smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH+]OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000029464407 727895666 /nfs/dbraw/zinc/89/56/66/727895666.db2.gz FZGCOGLRMJEOBE-UHFFFAOYSA-N 1 2 366.736 2.663 20 30 FFEDLO C=CCn1c(C)nn(C[N@@H+]2C[C@@H](C(=O)NCCCC)CC[C@@H]2C)c1=S ZINC000068964495 728194220 /nfs/dbraw/zinc/19/42/20/728194220.db2.gz XSRDESDODVJEFP-HOCLYGCPSA-N 1 2 365.547 2.883 20 30 FFEDLO C=CCn1c(C)nn(C[N@H+]2C[C@@H](C(=O)NCCCC)CC[C@@H]2C)c1=S ZINC000068964495 728194222 /nfs/dbraw/zinc/19/42/22/728194222.db2.gz XSRDESDODVJEFP-HOCLYGCPSA-N 1 2 365.547 2.883 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000071965289 728209794 /nfs/dbraw/zinc/20/97/94/728209794.db2.gz ZZYPCAKXDCKZLA-LBPRGKRZSA-N 1 2 361.829 2.863 20 30 FFEDLO C=CC1CC[NH+](Cn2nc3n(c2=S)c2ccccc2c(=O)n3C)CC1 ZINC000111166257 728534879 /nfs/dbraw/zinc/53/48/79/728534879.db2.gz MNQJFEZJQSIZJX-UHFFFAOYSA-N 1 2 355.467 2.573 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000113249143 728553133 /nfs/dbraw/zinc/55/31/33/728553133.db2.gz BNQPVYOEGPZYKR-LBPRGKRZSA-N 1 2 361.829 2.690 20 30 FFEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](C)CC2CCOCC2)c1=S ZINC000124627563 728672544 /nfs/dbraw/zinc/67/25/44/728672544.db2.gz ZPDQINCDRGUFST-UHFFFAOYSA-N 1 2 359.499 2.978 20 30 FFEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](C)CC2CCOCC2)c1=S ZINC000124627563 728672545 /nfs/dbraw/zinc/67/25/45/728672545.db2.gz ZPDQINCDRGUFST-UHFFFAOYSA-N 1 2 359.499 2.978 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCCOCC(F)(F)C(F)(F)F)cc1OC ZINC000189241085 729397618 /nfs/dbraw/zinc/39/76/18/729397618.db2.gz WVZFSVTUYMSSAB-UHFFFAOYSA-N 1 2 372.290 2.555 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C[C@@H](O)c2cccc(Cl)c2)[C@@H](C#N)C1 ZINC000779392620 738461664 /nfs/dbraw/zinc/46/16/64/738461664.db2.gz NQGVJJWGFLKTSH-CWRNSKLLSA-N 1 2 365.861 2.722 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nn1 ZINC000640913194 730185693 /nfs/dbraw/zinc/18/56/93/730185693.db2.gz LYOMNXGYSKZJDF-AWEZNQCLSA-N 1 2 359.861 2.861 20 30 FFEDLO C=C(Cl)C[C@H]1NC(=O)N([C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1=O ZINC000865302393 730937776 /nfs/dbraw/zinc/93/77/76/730937776.db2.gz VONFUUWVRYNBFX-CABCVRRESA-N 1 2 358.829 2.767 20 30 FFEDLO COC(C)(C)c1nsc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000865407783 730950860 /nfs/dbraw/zinc/95/08/60/730950860.db2.gz JBNZYGLUGOTUAV-UHFFFAOYSA-N 1 2 357.483 2.613 20 30 FFEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000870332515 731498081 /nfs/dbraw/zinc/49/80/81/731498081.db2.gz XRLOQAVLSNHETI-STQMWFEESA-N 1 2 364.845 2.609 20 30 FFEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000870332515 731498082 /nfs/dbraw/zinc/49/80/82/731498082.db2.gz XRLOQAVLSNHETI-STQMWFEESA-N 1 2 364.845 2.609 20 30 FFEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1=S ZINC000872785322 731831114 /nfs/dbraw/zinc/83/11/14/731831114.db2.gz PGRGTPWDKLWTLN-CALCHBBNSA-N 1 2 356.495 2.727 20 30 FFEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1=S ZINC000872785322 731831117 /nfs/dbraw/zinc/83/11/17/731831117.db2.gz PGRGTPWDKLWTLN-CALCHBBNSA-N 1 2 356.495 2.727 20 30 FFEDLO Cc1csc([C@H]2CC[N@H+](Cn3cc4c(c(C#N)c3=O)CCCC4)C2)n1 ZINC000872806693 731834360 /nfs/dbraw/zinc/83/43/60/731834360.db2.gz RSIXJBRJPQIAAE-HNNXBMFYSA-N 1 2 354.479 2.811 20 30 FFEDLO Cc1csc([C@H]2CC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCCC4)C2)n1 ZINC000872806693 731834367 /nfs/dbraw/zinc/83/43/67/731834367.db2.gz RSIXJBRJPQIAAE-HNNXBMFYSA-N 1 2 354.479 2.811 20 30 FFEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)cc1 ZINC000877775551 732427785 /nfs/dbraw/zinc/42/77/85/732427785.db2.gz NHCZSNHHMWCBHF-LRDDRELGSA-N 1 2 355.360 2.620 20 30 FFEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)cc1 ZINC000877775551 732427787 /nfs/dbraw/zinc/42/77/87/732427787.db2.gz NHCZSNHHMWCBHF-LRDDRELGSA-N 1 2 355.360 2.620 20 30 FFEDLO C[C@]12C[N@H+](Cc3cccc(OCCCC#N)c3)C[C@@]1(C)CS(=O)(=O)C2 ZINC000877814957 732439062 /nfs/dbraw/zinc/43/90/62/732439062.db2.gz JWFGSOKSBYXMRS-KDURUIRLSA-N 1 2 362.495 2.626 20 30 FFEDLO C[C@]12C[N@@H+](Cc3cccc(OCCCC#N)c3)C[C@@]1(C)CS(=O)(=O)C2 ZINC000877814957 732439063 /nfs/dbraw/zinc/43/90/63/732439063.db2.gz JWFGSOKSBYXMRS-KDURUIRLSA-N 1 2 362.495 2.626 20 30 FFEDLO CC[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1cccc(C#N)c1O ZINC000926497856 738621600 /nfs/dbraw/zinc/62/16/00/738621600.db2.gz BOPPGOBDTXSPSX-YOEHRIQHSA-N 1 2 356.447 2.876 20 30 FFEDLO C=CC[C@@H](NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)c1ccncc1 ZINC000881903123 733132717 /nfs/dbraw/zinc/13/27/17/733132717.db2.gz DEVLXFPRHPTHEL-GOSISDBHSA-N 1 2 357.479 2.665 20 30 FFEDLO C=CC[C@@H](NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)c1ccncc1 ZINC000881903123 733132719 /nfs/dbraw/zinc/13/27/19/733132719.db2.gz DEVLXFPRHPTHEL-GOSISDBHSA-N 1 2 357.479 2.665 20 30 FFEDLO C=CCn1c(COC)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000669816196 733273027 /nfs/dbraw/zinc/27/30/27/733273027.db2.gz FFWMSVCKHGDWSY-UHFFFAOYSA-N 1 2 361.877 2.586 20 30 FFEDLO C[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCS1 ZINC000927254334 738710921 /nfs/dbraw/zinc/71/09/21/738710921.db2.gz UGYRZUOBYRAHOT-YJBOKZPZSA-N 1 2 358.511 2.670 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000884047748 733472224 /nfs/dbraw/zinc/47/22/24/733472224.db2.gz JQUHZWWTFAWZHC-NSHDSACASA-N 1 2 350.724 2.744 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000884076410 733476320 /nfs/dbraw/zinc/47/63/20/733476320.db2.gz CAEBJLVXLLJANY-HZMBPMFUSA-N 1 2 359.253 2.959 20 30 FFEDLO C=CCC1(O)CC[NH+](Cn2c(=O)oc3cc(Br)ccc32)CC1 ZINC000884479040 733529624 /nfs/dbraw/zinc/52/96/24/733529624.db2.gz UCKLWYITGVLFAW-UHFFFAOYSA-N 1 2 367.243 2.718 20 30 FFEDLO C[NH+](C)Cc1csc(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)n1 ZINC000927764154 738779359 /nfs/dbraw/zinc/77/93/59/738779359.db2.gz UWVVCUSBRUDQQZ-UHFFFAOYSA-N 1 2 358.442 2.563 20 30 FFEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1ccc(C#N)c(Cl)c1 ZINC000783880228 738845620 /nfs/dbraw/zinc/84/56/20/738845620.db2.gz FJYYTUFJCBMHHB-UHFFFAOYSA-N 1 2 358.833 2.536 20 30 FFEDLO CCCCCNC(=S)NN=C(C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735612321 734952980 /nfs/dbraw/zinc/95/29/80/734952980.db2.gz MURYISKDAQIPKC-GOSISDBHSA-N 1 2 362.543 2.918 20 30 FFEDLO CCCCCNC(=S)NN=C(C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735612321 734952981 /nfs/dbraw/zinc/95/29/81/734952981.db2.gz MURYISKDAQIPKC-GOSISDBHSA-N 1 2 362.543 2.918 20 30 FFEDLO C#CCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000747824769 735594463 /nfs/dbraw/zinc/59/44/63/735594463.db2.gz RTAFKKYJARKACI-UHFFFAOYSA-N 1 2 353.235 2.550 20 30 FFEDLO C/C(=C/C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)C[NH+]1CCOCC1 ZINC000900634790 735672138 /nfs/dbraw/zinc/67/21/38/735672138.db2.gz WCKSGSGHRYOYTJ-HMVFGEFZSA-N 1 2 368.264 2.953 20 30 FFEDLO C/C(=C/C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)C[NH+]1CCOCC1 ZINC000900634791 735672291 /nfs/dbraw/zinc/67/22/91/735672291.db2.gz WCKSGSGHRYOYTJ-LMRWQKIVSA-N 1 2 368.264 2.953 20 30 FFEDLO N#Cc1c(=O)n(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)cc2c1CCCC2 ZINC000902649088 735975674 /nfs/dbraw/zinc/97/56/74/735975674.db2.gz HYTNAHHBDSCQIN-AWEZNQCLSA-N 1 2 354.479 2.577 20 30 FFEDLO N#Cc1c(=O)n(C[N@H+]2CC[C@@H](Cc3nccs3)C2)cc2c1CCCC2 ZINC000902649088 735975675 /nfs/dbraw/zinc/97/56/75/735975675.db2.gz HYTNAHHBDSCQIN-AWEZNQCLSA-N 1 2 354.479 2.577 20 30 FFEDLO CC[C@H](C[NH+]1CCOCC1)NC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000905656788 736378259 /nfs/dbraw/zinc/37/82/59/736378259.db2.gz RGZZNMIJNJVPCE-CYBMUJFWSA-N 1 2 352.891 2.609 20 30 FFEDLO Nc1nc(Cl)c(C=[NH+]NCCc2ccccc2F)c(N2CCCC2)n1 ZINC000764721701 737043748 /nfs/dbraw/zinc/04/37/48/737043748.db2.gz GSBCKLHQHNLBAF-UHFFFAOYSA-N 1 2 362.840 2.618 20 30 FFEDLO Cc1ccc(S(=O)(=O)CCCO[NH+]=C(N)c2ccc(F)cc2)cc1 ZINC000774660899 738011835 /nfs/dbraw/zinc/01/18/35/738011835.db2.gz BZGTZLGEZVPXRX-UHFFFAOYSA-N 1 2 350.415 2.635 20 30 FFEDLO C#C[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[C@H]1CCCO1 ZINC000775435930 738092599 /nfs/dbraw/zinc/09/25/99/738092599.db2.gz ZBGMYOLUUKJBSA-VNQPRFMTSA-N 1 2 362.499 2.677 20 30 FFEDLO C#C[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[C@H]1CCCO1 ZINC000775435930 738092600 /nfs/dbraw/zinc/09/26/00/738092600.db2.gz ZBGMYOLUUKJBSA-VNQPRFMTSA-N 1 2 362.499 2.677 20 30 FFEDLO C#CCC1(O)CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000931701105 739313976 /nfs/dbraw/zinc/31/39/76/739313976.db2.gz WSCJITZGEVSRAH-UHFFFAOYSA-N 1 2 353.216 2.708 20 30 FFEDLO C[C@H]1C[N@H+](Cc2nc(C#N)cs2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC000932709557 739500074 /nfs/dbraw/zinc/50/00/74/739500074.db2.gz IWBJPPINJLLZFO-QWHCGFSZSA-N 1 2 350.488 2.997 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2nc(C#N)cs2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC000932709557 739500078 /nfs/dbraw/zinc/50/00/78/739500078.db2.gz IWBJPPINJLLZFO-QWHCGFSZSA-N 1 2 350.488 2.997 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000795041840 739954963 /nfs/dbraw/zinc/95/49/63/739954963.db2.gz LAUVPURCICHCLI-GOSISDBHSA-N 1 2 360.820 2.601 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2OCC[C@H]2C)C(C)(C)C1 ZINC000941040887 740194255 /nfs/dbraw/zinc/19/42/55/740194255.db2.gz AOKJJNZLJDPUGI-XBFCOCLRSA-N 1 2 359.308 2.537 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2OCC[C@H]2C)C(C)(C)C1 ZINC000941040887 740194257 /nfs/dbraw/zinc/19/42/57/740194257.db2.gz AOKJJNZLJDPUGI-XBFCOCLRSA-N 1 2 359.308 2.537 20 30 FFEDLO C#CCN(CC#N)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000798801457 740363632 /nfs/dbraw/zinc/36/36/32/740363632.db2.gz QGXQWSXTCKGVPK-MRXNPFEDSA-N 1 2 360.255 2.571 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1csc(C)n1 ZINC000960640152 740620458 /nfs/dbraw/zinc/62/04/58/740620458.db2.gz AHRGIEAZEDKRAC-KSZLIROESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1csc(C)n1 ZINC000960640152 740620461 /nfs/dbraw/zinc/62/04/61/740620461.db2.gz AHRGIEAZEDKRAC-KSZLIROESA-N 1 2 363.527 2.856 20 30 FFEDLO C[C@H](C#N)OCC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000801910683 740662624 /nfs/dbraw/zinc/66/26/24/740662624.db2.gz PLWSAAKMHWRGOA-LLVKDONJSA-N 1 2 362.783 2.804 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC000969684472 740736744 /nfs/dbraw/zinc/73/67/44/740736744.db2.gz LVOVKUTWZRPKLB-XKQJLSEDSA-N 1 2 363.889 2.653 20 30 FFEDLO C[C@H](NC(=O)[C@H]1OCC[C@H]1C)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000970442657 740748558 /nfs/dbraw/zinc/74/85/58/740748558.db2.gz QQOFIJZFBZWIJK-VCBZYWHSSA-N 1 2 360.885 2.553 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2nc(C)cs2)C1 ZINC000970558430 740752226 /nfs/dbraw/zinc/75/22/26/740752226.db2.gz CTXMJNZRBJGDOK-HFTRVMKXSA-N 1 2 363.527 2.759 20 30 FFEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC000972508024 740832576 /nfs/dbraw/zinc/83/25/76/740832576.db2.gz KAZCIJCDAZMOAN-PMPSAXMXSA-N 1 2 371.319 2.799 20 30 FFEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC000972508024 740832581 /nfs/dbraw/zinc/83/25/81/740832581.db2.gz KAZCIJCDAZMOAN-PMPSAXMXSA-N 1 2 371.319 2.799 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2nc(C)cs2)CC1(C)C ZINC000974586325 740883461 /nfs/dbraw/zinc/88/34/61/740883461.db2.gz DJXOYQCLSWLVDJ-PMPSAXMXSA-N 1 2 363.527 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2nc(C)cs2)CC1(C)C ZINC000974586325 740883465 /nfs/dbraw/zinc/88/34/65/740883465.db2.gz DJXOYQCLSWLVDJ-PMPSAXMXSA-N 1 2 363.527 2.759 20 30 FFEDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000805827081 741015049 /nfs/dbraw/zinc/01/50/49/741015049.db2.gz GFJWAGQKUPPBEN-AWEZNQCLSA-N 1 2 353.369 2.870 20 30 FFEDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000805827081 741015053 /nfs/dbraw/zinc/01/50/53/741015053.db2.gz GFJWAGQKUPPBEN-AWEZNQCLSA-N 1 2 353.369 2.870 20 30 FFEDLO C#CCC[N@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805829968 741016369 /nfs/dbraw/zinc/01/63/69/741016369.db2.gz SDINFQCHCZLVQF-HOCLYGCPSA-N 1 2 354.372 2.903 20 30 FFEDLO C#CCC[N@@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805829968 741016372 /nfs/dbraw/zinc/01/63/72/741016372.db2.gz SDINFQCHCZLVQF-HOCLYGCPSA-N 1 2 354.372 2.903 20 30 FFEDLO C=CCSc1nc2ccccc2n1C[N@H+]1CCOC[C@H]1CC(=O)OC ZINC000808210850 741198949 /nfs/dbraw/zinc/19/89/49/741198949.db2.gz HXRWXSUXVKPLFJ-CQSZACIVSA-N 1 2 361.467 2.536 20 30 FFEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1CCOC[C@H]1CC(=O)OC ZINC000808210850 741198951 /nfs/dbraw/zinc/19/89/51/741198951.db2.gz HXRWXSUXVKPLFJ-CQSZACIVSA-N 1 2 361.467 2.536 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2nc(C)c(C)s2)CC1 ZINC000982173206 741199179 /nfs/dbraw/zinc/19/91/79/741199179.db2.gz HNLKDWKPSKTUNA-WMZOPIPTSA-N 1 2 363.527 2.775 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2nc(C)c(C)s2)CC1 ZINC000982173206 741199182 /nfs/dbraw/zinc/19/91/82/741199182.db2.gz HNLKDWKPSKTUNA-WMZOPIPTSA-N 1 2 363.527 2.775 20 30 FFEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000810141508 741392460 /nfs/dbraw/zinc/39/24/60/741392460.db2.gz ZRKSKXFCFJUGOK-CYBMUJFWSA-N 1 2 355.467 2.732 20 30 FFEDLO Cc1nc(C[NH+]2CCC(C(=O)OCc3cccnc3C#N)CC2)cs1 ZINC000813161779 741684078 /nfs/dbraw/zinc/68/40/78/741684078.db2.gz QHYLRIGNELEOGG-UHFFFAOYSA-N 1 2 356.451 2.674 20 30 FFEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC001005706382 742265797 /nfs/dbraw/zinc/26/57/97/742265797.db2.gz WRCPWYPHJRNBOI-WBVHZDCISA-N 1 2 371.319 2.777 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccnc(Cl)c1 ZINC001024660967 742732945 /nfs/dbraw/zinc/73/29/45/742732945.db2.gz UZMZZVQHRGYLQJ-BBWFWOEESA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC001024660967 742732950 /nfs/dbraw/zinc/73/29/50/742732950.db2.gz UZMZZVQHRGYLQJ-BBWFWOEESA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC001027939202 742780697 /nfs/dbraw/zinc/78/06/97/742780697.db2.gz JUNYKADZRUUBCN-BBWFWOEESA-N 1 2 367.921 2.501 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC001027939202 742780700 /nfs/dbraw/zinc/78/07/00/742780700.db2.gz JUNYKADZRUUBCN-BBWFWOEESA-N 1 2 367.921 2.501 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(F)c2Cl)C1 ZINC001031987526 742853864 /nfs/dbraw/zinc/85/38/64/742853864.db2.gz RKWZMIYAENPOJR-ZBFHGGJFSA-N 1 2 352.837 2.618 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001033905246 742904592 /nfs/dbraw/zinc/90/45/92/742904592.db2.gz XYXFZXZETKBIBZ-KFWWJZLASA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001033905246 742904596 /nfs/dbraw/zinc/90/45/96/742904596.db2.gz XYXFZXZETKBIBZ-KFWWJZLASA-N 1 2 359.308 2.633 20 30 FFEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1 ZINC001035367699 742947977 /nfs/dbraw/zinc/94/79/77/742947977.db2.gz JZOJIRWEECCACZ-NCOXYXGASA-N 1 2 360.420 2.604 20 30 FFEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1 ZINC001035367699 742947981 /nfs/dbraw/zinc/94/79/81/742947981.db2.gz JZOJIRWEECCACZ-NCOXYXGASA-N 1 2 360.420 2.604 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cc(OC)ccc1Cl ZINC001038714102 742977793 /nfs/dbraw/zinc/97/77/93/742977793.db2.gz JQZDXSIGZUCKJY-KYJSFNMBSA-N 1 2 364.873 2.630 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cc(OC)ccc1Cl ZINC001038714102 742977796 /nfs/dbraw/zinc/97/77/96/742977796.db2.gz JQZDXSIGZUCKJY-KYJSFNMBSA-N 1 2 364.873 2.630 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000824307965 743054323 /nfs/dbraw/zinc/05/43/23/743054323.db2.gz STAIIYJCIKFNAW-MRXNPFEDSA-N 1 2 359.495 2.545 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000824307965 743054330 /nfs/dbraw/zinc/05/43/30/743054330.db2.gz STAIIYJCIKFNAW-MRXNPFEDSA-N 1 2 359.495 2.545 20 30 FFEDLO C=C(Cl)C[C@@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C(=O)OCC ZINC000825146487 743218587 /nfs/dbraw/zinc/21/85/87/743218587.db2.gz FDNMCTSQMCYKBM-GHMZBOCLSA-N 1 2 367.755 2.567 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2csc(CCC)n2)C1 ZINC001046632304 743332624 /nfs/dbraw/zinc/33/26/24/743332624.db2.gz WRZSSXQOVHNOOV-JTDSTZFVSA-N 1 2 363.527 2.767 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2csc(CCC)n2)C1 ZINC001046632304 743332632 /nfs/dbraw/zinc/33/26/32/743332632.db2.gz WRZSSXQOVHNOOV-JTDSTZFVSA-N 1 2 363.527 2.767 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3OCC[C@H]3CC)[C@@H]2C1 ZINC001050068234 743494546 /nfs/dbraw/zinc/49/45/46/743494546.db2.gz FSEPJYRMYPBPJN-QXSJWSMHSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3OCC[C@H]3CC)[C@@H]2C1 ZINC001050068234 743494551 /nfs/dbraw/zinc/49/45/51/743494551.db2.gz FSEPJYRMYPBPJN-QXSJWSMHSA-N 1 2 371.319 2.633 20 30 FFEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000830579243 745387387 /nfs/dbraw/zinc/38/73/87/745387387.db2.gz XQQHEGKGOLHGFW-AWEZNQCLSA-N 1 2 353.369 2.822 20 30 FFEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000830579243 745387393 /nfs/dbraw/zinc/38/73/93/745387393.db2.gz XQQHEGKGOLHGFW-AWEZNQCLSA-N 1 2 353.369 2.822 20 30 FFEDLO C#C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Br)cc1 ZINC000833230302 745779586 /nfs/dbraw/zinc/77/95/86/745779586.db2.gz BJVOQDVSSSNHSH-CJNGLKHVSA-N 1 2 358.239 2.699 20 30 FFEDLO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NNC=C3CC3(F)F)[nH+]c2)C1 ZINC000834930946 745925022 /nfs/dbraw/zinc/92/50/22/745925022.db2.gz YUHNVUQPHTXFHM-FRRDWIJNSA-N 1 2 372.441 2.801 20 30 FFEDLO C[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000835070452 745944700 /nfs/dbraw/zinc/94/47/00/745944700.db2.gz UUHVXHTZVNONSS-OLZOCXBDSA-N 1 2 350.488 2.997 20 30 FFEDLO C[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000835070452 745944704 /nfs/dbraw/zinc/94/47/04/745944704.db2.gz UUHVXHTZVNONSS-OLZOCXBDSA-N 1 2 350.488 2.997 20 30 FFEDLO C=CCCOC(=O)[C@@H](C)OC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000835833710 746089080 /nfs/dbraw/zinc/08/90/80/746089080.db2.gz RMVFRUQLMSLAGG-CYBMUJFWSA-N 1 2 366.483 2.715 20 30 FFEDLO C=CCN1CCN(C[N@@H+](C)Cc2ccc(OC(F)F)c(OC)c2)C1=O ZINC000839948643 746966777 /nfs/dbraw/zinc/96/67/77/746966777.db2.gz FNCLSPRGKDKLEC-UHFFFAOYSA-N 1 2 355.385 2.610 20 30 FFEDLO C=CCN1CCN(C[N@H+](C)Cc2ccc(OC(F)F)c(OC)c2)C1=O ZINC000839948643 746966783 /nfs/dbraw/zinc/96/67/83/746966783.db2.gz FNCLSPRGKDKLEC-UHFFFAOYSA-N 1 2 355.385 2.610 20 30 FFEDLO C[C@@H](CC(=O)OCC(=O)Nc1ccccc1SCC#N)n1cc[nH+]c1 ZINC000845276902 748217697 /nfs/dbraw/zinc/21/76/97/748217697.db2.gz DMQYEQUZBIQNFK-ZDUSSCGKSA-N 1 2 358.423 2.632 20 30 FFEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc3sc(C(=O)OCC)c(C)c3c(N)n2)C1 ZINC000847022627 748600320 /nfs/dbraw/zinc/60/03/20/748600320.db2.gz WLQNKYDQTUAJHJ-GFCCVEGCSA-N 1 2 358.467 2.604 20 30 FFEDLO C#C[C@@H]1CCC[N@H+](Cc2nc3sc(C(=O)OCC)c(C)c3c(N)n2)C1 ZINC000847022627 748600329 /nfs/dbraw/zinc/60/03/29/748600329.db2.gz WLQNKYDQTUAJHJ-GFCCVEGCSA-N 1 2 358.467 2.604 20 30 FFEDLO C[C@@H](C[N@H+](C)CCC[NH+](C)C)/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000849170696 749065155 /nfs/dbraw/zinc/06/51/55/749065155.db2.gz SMJAUWKWHSYOAA-NNLQFVHNSA-N 1 2 356.854 2.645 20 30 FFEDLO C[C@@H](C[N@@H+](C)CCC[NH+](C)C)/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000849170696 749065161 /nfs/dbraw/zinc/06/51/61/749065161.db2.gz SMJAUWKWHSYOAA-NNLQFVHNSA-N 1 2 356.854 2.645 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccnn3C(C)C)[C@@H]2C1 ZINC001075833078 972007116 /nfs/dbraw/zinc/00/71/16/972007116.db2.gz YRYINGBLSICKLT-DZGCQCFKSA-N 1 2 367.291 2.519 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnn3C(C)C)[C@@H]2C1 ZINC001075833078 972007121 /nfs/dbraw/zinc/00/71/21/972007121.db2.gz YRYINGBLSICKLT-DZGCQCFKSA-N 1 2 367.291 2.519 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(CCC)no3)CC[C@@H]2C1 ZINC001088064465 972066881 /nfs/dbraw/zinc/06/68/81/972066881.db2.gz GNYDLQLUYABHQB-CVEARBPZSA-N 1 2 360.502 2.905 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(CCC)no3)CC[C@@H]2C1 ZINC001088064465 972066889 /nfs/dbraw/zinc/06/68/89/972066889.db2.gz GNYDLQLUYABHQB-CVEARBPZSA-N 1 2 360.502 2.905 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nn(C)cc3Cl)CC[C@@H]2C1 ZINC001088064517 972067198 /nfs/dbraw/zinc/06/71/98/972067198.db2.gz ITODTDKOBAVGOM-CABCVRRESA-N 1 2 364.921 2.956 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nn(C)cc3Cl)CC[C@@H]2C1 ZINC001088064517 972067201 /nfs/dbraw/zinc/06/72/01/972067201.db2.gz ITODTDKOBAVGOM-CABCVRRESA-N 1 2 364.921 2.956 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nccn3C(F)F)CC[C@@H]2C1 ZINC001088066409 972069187 /nfs/dbraw/zinc/06/91/87/972069187.db2.gz JIGGGNKSSFIHGK-KGLIPLIRSA-N 1 2 352.429 2.771 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nccn3C(F)F)CC[C@@H]2C1 ZINC001088066409 972069190 /nfs/dbraw/zinc/06/91/90/972069190.db2.gz JIGGGNKSSFIHGK-KGLIPLIRSA-N 1 2 352.429 2.771 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC(F)(F)C2)C3)c(F)c1 ZINC001095295303 1013167845 /nfs/dbraw/zinc/16/78/45/1013167845.db2.gz UHNLBDMEMDMORI-PVAVHDDUSA-N 1 2 363.383 2.964 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC(F)(F)C2)C3)c(F)c1 ZINC001095295303 1013167853 /nfs/dbraw/zinc/16/78/53/1013167853.db2.gz UHNLBDMEMDMORI-PVAVHDDUSA-N 1 2 363.383 2.964 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC1(C)C ZINC000975065490 972337233 /nfs/dbraw/zinc/33/72/33/972337233.db2.gz PIHPQPSLHMNUDQ-NZSAHSFTSA-N 1 2 371.456 2.615 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CC1(C)C ZINC000975065490 972337237 /nfs/dbraw/zinc/33/72/37/972337237.db2.gz PIHPQPSLHMNUDQ-NZSAHSFTSA-N 1 2 371.456 2.615 20 30 FFEDLO C=CCN1CC[C@@]2(CC[N@@H+](Cc3csc(Br)n3)C2)C1=O ZINC001275964702 1013238754 /nfs/dbraw/zinc/23/87/54/1013238754.db2.gz PGOGTFBQPUCJQT-CQSZACIVSA-N 1 2 356.289 2.516 20 30 FFEDLO C=CCN1CC[C@@]2(CC[N@H+](Cc3csc(Br)n3)C2)C1=O ZINC001275964702 1013238755 /nfs/dbraw/zinc/23/87/55/1013238755.db2.gz PGOGTFBQPUCJQT-CQSZACIVSA-N 1 2 356.289 2.516 20 30 FFEDLO COc1cc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)ccc1S(C)(=O)=O ZINC000255142001 961994925 /nfs/dbraw/zinc/99/49/25/961994925.db2.gz AAMHOJCXCYGGBQ-FPLPWBNLSA-N 1 2 370.430 2.951 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ccnn1C1CCC1 ZINC001095425948 1013336072 /nfs/dbraw/zinc/33/60/72/1013336072.db2.gz MKRDKSIGPMNJKK-HKBOAZHASA-N 1 2 374.488 2.995 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ccnn1C1CCC1 ZINC001095425948 1013336081 /nfs/dbraw/zinc/33/60/81/1013336081.db2.gz MKRDKSIGPMNJKK-HKBOAZHASA-N 1 2 374.488 2.995 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000684003596 963016098 /nfs/dbraw/zinc/01/60/98/963016098.db2.gz WDUJJSSRMTWQPU-AWEZNQCLSA-N 1 2 357.429 2.671 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccc(F)cc2o1 ZINC001110181353 1013404800 /nfs/dbraw/zinc/40/48/00/1013404800.db2.gz FBYVDUYGZBMNLQ-PVAVHDDUSA-N 1 2 373.428 2.781 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccc(F)cc2o1 ZINC001110181353 1013404806 /nfs/dbraw/zinc/40/48/06/1013404806.db2.gz FBYVDUYGZBMNLQ-PVAVHDDUSA-N 1 2 373.428 2.781 20 30 FFEDLO CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(C#N)cc1F)C2 ZINC001276083092 1013421678 /nfs/dbraw/zinc/42/16/78/1013421678.db2.gz MOEMGZWMXHZONH-FOIQADDNSA-N 1 2 359.445 2.547 20 30 FFEDLO CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(C#N)cc1F)C2 ZINC001276083092 1013421683 /nfs/dbraw/zinc/42/16/83/1013421683.db2.gz MOEMGZWMXHZONH-FOIQADDNSA-N 1 2 359.445 2.547 20 30 FFEDLO N#Cc1cc(F)ccc1N1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC001175453137 1013491769 /nfs/dbraw/zinc/49/17/69/1013491769.db2.gz IUXHZDHMZVGCBN-UHFFFAOYSA-N 1 2 353.397 2.791 20 30 FFEDLO Cn1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)c(C2CCCC2)n1 ZINC000891539563 964452822 /nfs/dbraw/zinc/45/28/22/964452822.db2.gz BGUHCWDHDCLOOD-UHFFFAOYSA-N 1 2 350.470 2.667 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@@H]2C[N@@H+](CCn3ccnc3)C[C@H](C1)O2 ZINC001270163813 964754567 /nfs/dbraw/zinc/75/45/67/964754567.db2.gz JCEFFUVEZWPOTF-KDURUIRLSA-N 1 2 362.518 2.545 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@@H]2C[N@H+](CCn3ccnc3)C[C@H](C1)O2 ZINC001270163813 964754574 /nfs/dbraw/zinc/75/45/74/964754574.db2.gz JCEFFUVEZWPOTF-KDURUIRLSA-N 1 2 362.518 2.545 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]2C[C@@]21C(=O)Nc1cccc2[nH+]ccn21 ZINC001270609395 965296852 /nfs/dbraw/zinc/29/68/52/965296852.db2.gz BTXGSBYZMICSHT-VLIAUNLRSA-N 1 2 352.438 2.866 20 30 FFEDLO N#Cc1cccc(OC2CC[NH+](CN3C(=O)CC4(CCCC4)C3=O)CC2)c1 ZINC000729467281 965612342 /nfs/dbraw/zinc/61/23/42/965612342.db2.gz XYBZCCAFSKUQAI-UHFFFAOYSA-N 1 2 367.449 2.678 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@@H](C)c2noc(C)n2)cc1 ZINC001087197242 966103848 /nfs/dbraw/zinc/10/38/48/966103848.db2.gz FJIQAXWOROZTQZ-VCBZYWHSSA-N 1 2 366.465 2.951 20 30 FFEDLO C#C[C@H](NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCO1 ZINC000773553964 1013645344 /nfs/dbraw/zinc/64/53/44/1013645344.db2.gz DEHKHUUMCIRHKS-RBUKOAKNSA-N 1 2 370.497 2.510 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)c2cc(F)ccc2F)CCC(=O)N1C1CC1 ZINC000329048770 966433341 /nfs/dbraw/zinc/43/33/41/966433341.db2.gz KENFILOFHPLWEM-CRAIPNDOSA-N 1 2 374.391 2.898 20 30 FFEDLO C=CCn1cc(C[NH2+]Cc2c3cc(C)ccc3[nH]c2C(=O)OCC)nn1 ZINC000895051859 967240813 /nfs/dbraw/zinc/24/08/13/967240813.db2.gz KRCIHWBCYDQGGZ-UHFFFAOYSA-N 1 2 353.426 2.720 20 30 FFEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000156355111 967480710 /nfs/dbraw/zinc/48/07/10/967480710.db2.gz BRUMTIXSHNTYAC-UHFFFAOYSA-N 1 2 352.438 2.609 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001211580213 967486187 /nfs/dbraw/zinc/48/61/87/967486187.db2.gz GLANYGLLPZBQQC-RBUKOAKNSA-N 1 2 366.465 2.656 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC000972529331 967630672 /nfs/dbraw/zinc/63/06/72/967630672.db2.gz JQIVPJOGLNIDAF-BXWFABGCSA-N 1 2 359.470 2.566 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC000972529331 967630681 /nfs/dbraw/zinc/63/06/81/967630681.db2.gz JQIVPJOGLNIDAF-BXWFABGCSA-N 1 2 359.470 2.566 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3noc(CC)n3)C2)cc1 ZINC001104476437 967650552 /nfs/dbraw/zinc/65/05/52/967650552.db2.gz WFKXCETXBGSKPZ-CRAIPNDOSA-N 1 2 366.465 2.501 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029311982 967684551 /nfs/dbraw/zinc/68/45/51/967684551.db2.gz KOIRELTVFCAFFU-MBDNFAEBSA-N 1 2 364.489 2.695 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029311982 967684554 /nfs/dbraw/zinc/68/45/54/967684554.db2.gz KOIRELTVFCAFFU-MBDNFAEBSA-N 1 2 364.489 2.695 20 30 FFEDLO N#Cc1cccc(OCC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000783492430 967737605 /nfs/dbraw/zinc/73/76/05/967737605.db2.gz XOZLECKDKBSSKR-UHFFFAOYSA-N 1 2 352.438 2.853 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1cnc(Cl)s1 ZINC001087535258 967866834 /nfs/dbraw/zinc/86/68/34/967866834.db2.gz ZTEINJZQMIQMQX-GXTWGEPZSA-N 1 2 363.874 2.779 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1cnc(Cl)s1 ZINC001087535258 967866842 /nfs/dbraw/zinc/86/68/42/967866842.db2.gz ZTEINJZQMIQMQX-GXTWGEPZSA-N 1 2 363.874 2.779 20 30 FFEDLO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000052869998 967959816 /nfs/dbraw/zinc/95/98/16/967959816.db2.gz PJTDGSBPIONKMD-DLBZAZTESA-N 1 2 372.469 2.532 20 30 FFEDLO CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000052869998 967959821 /nfs/dbraw/zinc/95/98/21/967959821.db2.gz PJTDGSBPIONKMD-DLBZAZTESA-N 1 2 372.469 2.532 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-c4cccs4)o3)[C@H]2C1 ZINC001083262587 968037899 /nfs/dbraw/zinc/03/78/99/968037899.db2.gz CQVYPKDNVDVVCM-WMLDXEAASA-N 1 2 356.447 2.557 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-c4cccs4)o3)[C@H]2C1 ZINC001083262587 968037906 /nfs/dbraw/zinc/03/79/06/968037906.db2.gz CQVYPKDNVDVVCM-WMLDXEAASA-N 1 2 356.447 2.557 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1coc(C2CC2)n1 ZINC001087548538 968042939 /nfs/dbraw/zinc/04/29/39/968042939.db2.gz AJIFWERHIPSCCA-DLBZAZTESA-N 1 2 353.426 2.535 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1coc(C2CC2)n1 ZINC001087548538 968042949 /nfs/dbraw/zinc/04/29/49/968042949.db2.gz AJIFWERHIPSCCA-DLBZAZTESA-N 1 2 353.426 2.535 20 30 FFEDLO Cc1ccc([C@@H](C/N=C/c2ccc(O)c(O)c2O)[NH+]2CCOCC2)cc1 ZINC000126943424 968171171 /nfs/dbraw/zinc/17/11/71/968171171.db2.gz MJLPTAVXBAADFF-KKJJZKEWSA-N 1 2 356.422 2.604 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccnn2CCC)[C@H]1CC ZINC001087587784 968259980 /nfs/dbraw/zinc/25/99/80/968259980.db2.gz IQSNJEUGHZDSOO-UONOGXRCSA-N 1 2 369.307 2.784 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccnn2CCC)[C@H]1CC ZINC001087587784 968259989 /nfs/dbraw/zinc/25/99/89/968259989.db2.gz IQSNJEUGHZDSOO-UONOGXRCSA-N 1 2 369.307 2.784 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)oc3nc[nH]c(=O)c32)[C@H]1CC ZINC001087601253 968320938 /nfs/dbraw/zinc/32/09/38/968320938.db2.gz INWGGPHFYMXYMC-NWDGAFQWSA-N 1 2 364.833 2.572 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)oc3nc[nH]c(=O)c32)[C@H]1CC ZINC001087601253 968320944 /nfs/dbraw/zinc/32/09/44/968320944.db2.gz INWGGPHFYMXYMC-NWDGAFQWSA-N 1 2 364.833 2.572 20 30 FFEDLO COC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC001176861216 1013788969 /nfs/dbraw/zinc/78/89/69/1013788969.db2.gz UVBLPHGRBZJGBC-GOSISDBHSA-N 1 2 359.470 2.820 20 30 FFEDLO COC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC001176861216 1013788974 /nfs/dbraw/zinc/78/89/74/1013788974.db2.gz UVBLPHGRBZJGBC-GOSISDBHSA-N 1 2 359.470 2.820 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC2(F)F)[C@H]1CC ZINC001087618884 968383593 /nfs/dbraw/zinc/38/35/93/968383593.db2.gz OGFWENXRLVBASL-GRYCIOLGSA-N 1 2 351.235 2.909 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC2(F)F)[C@H]1CC ZINC001087618884 968383600 /nfs/dbraw/zinc/38/36/00/968383600.db2.gz OGFWENXRLVBASL-GRYCIOLGSA-N 1 2 351.235 2.909 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cc2cncc(C)c2)[C@H]1CC ZINC001087674101 968557560 /nfs/dbraw/zinc/55/75/60/968557560.db2.gz QWPFLPRBZMLPGV-JKSUJKDBSA-N 1 2 366.303 2.810 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cc2cncc(C)c2)[C@H]1CC ZINC001087674101 968557567 /nfs/dbraw/zinc/55/75/67/968557567.db2.gz QWPFLPRBZMLPGV-JKSUJKDBSA-N 1 2 366.303 2.810 20 30 FFEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000874705843 1013878564 /nfs/dbraw/zinc/87/85/64/1013878564.db2.gz HGAHILVPNANCNP-KRWDZBQOSA-N 1 2 368.481 2.786 20 30 FFEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000874705843 1013878567 /nfs/dbraw/zinc/87/85/67/1013878567.db2.gz HGAHILVPNANCNP-KRWDZBQOSA-N 1 2 368.481 2.786 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001075508907 969483739 /nfs/dbraw/zinc/48/37/39/969483739.db2.gz CTZVZGHJPAROTF-DZGCQCFKSA-N 1 2 353.235 2.881 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001075508907 969483744 /nfs/dbraw/zinc/48/37/44/969483744.db2.gz CTZVZGHJPAROTF-DZGCQCFKSA-N 1 2 353.235 2.881 20 30 FFEDLO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3sc(Cl)nc3Cl)[C@H]2C1 ZINC001083276903 969549134 /nfs/dbraw/zinc/54/91/34/969549134.db2.gz BXTWVHGEYDUBBB-VHSXEESVSA-N 1 2 362.282 2.551 20 30 FFEDLO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3sc(Cl)nc3Cl)[C@H]2C1 ZINC001083276903 969549141 /nfs/dbraw/zinc/54/91/41/969549141.db2.gz BXTWVHGEYDUBBB-VHSXEESVSA-N 1 2 362.282 2.551 20 30 FFEDLO C#CC[N@@H+](Cn1cc(C)n(-c2cc(C)on2)c1=O)[C@H]1CCc2ccccc21 ZINC000125304618 1013977529 /nfs/dbraw/zinc/97/75/29/1013977529.db2.gz QXDKJWWLZRXVIX-IBGZPJMESA-N 1 2 362.433 2.824 20 30 FFEDLO C#CC[N@H+](Cn1cc(C)n(-c2cc(C)on2)c1=O)[C@H]1CCc2ccccc21 ZINC000125304618 1013977533 /nfs/dbraw/zinc/97/75/33/1013977533.db2.gz QXDKJWWLZRXVIX-IBGZPJMESA-N 1 2 362.433 2.824 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4ncnn4CCC)CC[C@@H]3C2)CC1 ZINC001088093257 972730589 /nfs/dbraw/zinc/73/05/89/972730589.db2.gz QASKDXPECTZNOC-MOPGFXCFSA-N 1 2 371.529 2.715 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4ncnn4CCC)CC[C@@H]3C2)CC1 ZINC001088093257 972730599 /nfs/dbraw/zinc/73/05/99/972730599.db2.gz QASKDXPECTZNOC-MOPGFXCFSA-N 1 2 371.529 2.715 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@H]2C1 ZINC000975850363 973496152 /nfs/dbraw/zinc/49/61/52/973496152.db2.gz HZCWIIHSKULUHS-LHHMISFZSA-N 1 2 370.497 2.565 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@H]2C1 ZINC000975850363 973496158 /nfs/dbraw/zinc/49/61/58/973496158.db2.gz HZCWIIHSKULUHS-LHHMISFZSA-N 1 2 370.497 2.565 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccns4)[C@@H]3C2)c(F)c1 ZINC001075845417 973625906 /nfs/dbraw/zinc/62/59/06/973625906.db2.gz BINILBBOXDYYOO-GOEBONIOSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccns4)[C@@H]3C2)c(F)c1 ZINC001075845417 973625914 /nfs/dbraw/zinc/62/59/14/973625914.db2.gz BINILBBOXDYYOO-GOEBONIOSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccns4)[C@@H]3C2)ccc1F ZINC001075845981 973659310 /nfs/dbraw/zinc/65/93/10/973659310.db2.gz VDVYDSYVCOXLHN-XJKSGUPXSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccns4)[C@@H]3C2)ccc1F ZINC001075845981 973659316 /nfs/dbraw/zinc/65/93/16/973659316.db2.gz VDVYDSYVCOXLHN-XJKSGUPXSA-N 1 2 356.426 2.500 20 30 FFEDLO C#Cc1cccc(NC(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)c1 ZINC000876121390 1014137953 /nfs/dbraw/zinc/13/79/53/1014137953.db2.gz HEVXLKWATSNRMV-UHFFFAOYSA-N 1 2 357.454 2.596 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1cc(C)no1)c1ccccc1 ZINC001481370457 974498015 /nfs/dbraw/zinc/49/80/15/974498015.db2.gz FLSGSPVFTXTNMD-QYZOEREBSA-N 1 2 355.438 2.521 20 30 FFEDLO C#Cc1ccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)nc1 ZINC000728824615 974585720 /nfs/dbraw/zinc/58/57/20/974585720.db2.gz KBUNHXIIIGHMKW-UHFFFAOYSA-N 1 2 370.416 2.952 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@](C)(C(F)F)C2)c(OC)c1 ZINC000662373901 975462186 /nfs/dbraw/zinc/46/21/86/975462186.db2.gz KUKFIZBQGBGZCY-KXBFYZLASA-N 1 2 371.424 2.519 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@](C)(C(F)F)C2)c(OC)c1 ZINC000662373901 975462194 /nfs/dbraw/zinc/46/21/94/975462194.db2.gz KUKFIZBQGBGZCY-KXBFYZLASA-N 1 2 371.424 2.519 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)nc1C ZINC001088726737 975633963 /nfs/dbraw/zinc/63/39/63/975633963.db2.gz MLXKUJVVNKMYPT-APWZRJJASA-N 1 2 363.465 2.666 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)nc1C ZINC001088726737 975633971 /nfs/dbraw/zinc/63/39/71/975633971.db2.gz MLXKUJVVNKMYPT-APWZRJJASA-N 1 2 363.465 2.666 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)[C@H]1C ZINC001088740352 975681314 /nfs/dbraw/zinc/68/13/14/975681314.db2.gz ASRPUABEEAOINF-BVUBDWEXSA-N 1 2 371.319 2.537 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)[C@H]1C ZINC001088740352 975681320 /nfs/dbraw/zinc/68/13/20/975681320.db2.gz ASRPUABEEAOINF-BVUBDWEXSA-N 1 2 371.319 2.537 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000981372684 976497339 /nfs/dbraw/zinc/49/73/39/976497339.db2.gz YDMZIKMEGVDDKN-APWZRJJASA-N 1 2 359.445 2.547 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000981372684 976497343 /nfs/dbraw/zinc/49/73/43/976497343.db2.gz YDMZIKMEGVDDKN-APWZRJJASA-N 1 2 359.445 2.547 20 30 FFEDLO CC(C)CCc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)cs1 ZINC001075616154 977316473 /nfs/dbraw/zinc/31/64/73/977316473.db2.gz LBPMBYLTMJELIF-YQQAZPJKSA-N 1 2 360.527 2.924 20 30 FFEDLO CC(C)CCc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)cs1 ZINC001075616154 977316475 /nfs/dbraw/zinc/31/64/75/977316475.db2.gz LBPMBYLTMJELIF-YQQAZPJKSA-N 1 2 360.527 2.924 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000982173108 977323059 /nfs/dbraw/zinc/32/30/59/977323059.db2.gz DBTAJXXLRCATEP-SFTDATJTSA-N 1 2 352.478 2.554 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000982173108 977323062 /nfs/dbraw/zinc/32/30/62/977323062.db2.gz DBTAJXXLRCATEP-SFTDATJTSA-N 1 2 352.478 2.554 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc2c(F)cccc2c1 ZINC000876807343 1014399472 /nfs/dbraw/zinc/39/94/72/1014399472.db2.gz BPRFUGNVMPPFKR-CQSZACIVSA-N 1 2 362.412 2.746 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc2c(F)cccc2c1 ZINC000876807343 1014399483 /nfs/dbraw/zinc/39/94/83/1014399483.db2.gz BPRFUGNVMPPFKR-CQSZACIVSA-N 1 2 362.412 2.746 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ncoc2CC)C1 ZINC001087453917 977756241 /nfs/dbraw/zinc/75/62/41/977756241.db2.gz RSCLHQARDPGFKY-IAGOWNOFSA-N 1 2 355.413 2.597 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ncoc2CC)C1 ZINC001087453917 977756247 /nfs/dbraw/zinc/75/62/47/977756247.db2.gz RSCLHQARDPGFKY-IAGOWNOFSA-N 1 2 355.413 2.597 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2csc(C)n2)C1 ZINC001087457467 977890800 /nfs/dbraw/zinc/89/08/00/977890800.db2.gz BUWVXFVXLONKLU-IAGOWNOFSA-N 1 2 357.454 2.812 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2csc(C)n2)C1 ZINC001087457467 977890810 /nfs/dbraw/zinc/89/08/10/977890810.db2.gz BUWVXFVXLONKLU-IAGOWNOFSA-N 1 2 357.454 2.812 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ocnc2CC)C1 ZINC001087458091 977917795 /nfs/dbraw/zinc/91/77/95/977917795.db2.gz ITXSTEUOLNNGHW-SJLPKXTDSA-N 1 2 355.413 2.597 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ocnc2CC)C1 ZINC001087458091 977917799 /nfs/dbraw/zinc/91/77/99/977917799.db2.gz ITXSTEUOLNNGHW-SJLPKXTDSA-N 1 2 355.413 2.597 20 30 FFEDLO COc1ccc(CN2CC[C@H]([NH2+]Cc3cc(C#N)cnc3Cl)C2=O)cc1 ZINC000877039228 1014459322 /nfs/dbraw/zinc/45/93/22/1014459322.db2.gz BZSKKMCLBCEVSG-KRWDZBQOSA-N 1 2 370.840 2.506 20 30 FFEDLO CC(C)(C)c1cnc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)o1 ZINC001075658391 978150311 /nfs/dbraw/zinc/15/03/11/978150311.db2.gz AEOKAIOJGCKTHQ-GOEBONIOSA-N 1 2 367.453 2.518 20 30 FFEDLO CC(C)(C)c1cnc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)o1 ZINC001075658391 978150317 /nfs/dbraw/zinc/15/03/17/978150317.db2.gz AEOKAIOJGCKTHQ-GOEBONIOSA-N 1 2 367.453 2.518 20 30 FFEDLO N#CCOc1ccc(C[N@@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)cc1 ZINC001137116500 1014494794 /nfs/dbraw/zinc/49/47/94/1014494794.db2.gz GWSRUMULERHBRJ-QKNQBKEWSA-N 1 2 365.433 2.795 20 30 FFEDLO N#CCOc1ccc(C[N@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)cc1 ZINC001137116500 1014494798 /nfs/dbraw/zinc/49/47/98/1014494798.db2.gz GWSRUMULERHBRJ-QKNQBKEWSA-N 1 2 365.433 2.795 20 30 FFEDLO Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4Cl)C[C@H]32)n1 ZINC001076342665 979403002 /nfs/dbraw/zinc/40/30/02/979403002.db2.gz WSGIZBXDSUGUKU-FUHWJXTLSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4Cl)C[C@H]32)n1 ZINC001076342665 979403004 /nfs/dbraw/zinc/40/30/04/979403004.db2.gz WSGIZBXDSUGUKU-FUHWJXTLSA-N 1 2 368.868 2.570 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3cccc(F)c3)[C@@H]2C1 ZINC001076530320 979624131 /nfs/dbraw/zinc/62/41/31/979624131.db2.gz IZFDAPBXPAJVSR-GOEBONIOSA-N 1 2 367.262 2.810 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cccc(F)c3)[C@@H]2C1 ZINC001076530320 979624132 /nfs/dbraw/zinc/62/41/32/979624132.db2.gz IZFDAPBXPAJVSR-GOEBONIOSA-N 1 2 367.262 2.810 20 30 FFEDLO CCc1ncc(C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)s1 ZINC001076625934 979728350 /nfs/dbraw/zinc/72/83/50/979728350.db2.gz HWHAVRWFGFFOBB-ZWKOTPCHSA-N 1 2 365.502 2.904 20 30 FFEDLO CCc1ncc(C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)s1 ZINC001076625934 979728353 /nfs/dbraw/zinc/72/83/53/979728353.db2.gz HWHAVRWFGFFOBB-ZWKOTPCHSA-N 1 2 365.502 2.904 20 30 FFEDLO Cc1ncoc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1C ZINC001088508384 980235332 /nfs/dbraw/zinc/23/53/32/980235332.db2.gz XWKLSDOKGQRNBP-PBHICJAKSA-N 1 2 357.841 2.881 20 30 FFEDLO Cc1ncoc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1C ZINC001088508384 980235338 /nfs/dbraw/zinc/23/53/38/980235338.db2.gz XWKLSDOKGQRNBP-PBHICJAKSA-N 1 2 357.841 2.881 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2cccc(OCC#N)c2)c1C ZINC001116058982 1032099290 /nfs/dbraw/zinc/09/92/90/1032099290.db2.gz FMSNJCBOGHQAAQ-UHFFFAOYSA-N 1 2 368.437 2.951 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1ccn(C2CCCC2)n1 ZINC001088529373 980446734 /nfs/dbraw/zinc/44/67/34/980446734.db2.gz SJKKIDYTRBYVBP-KDOFPFPSSA-N 1 2 366.469 2.591 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1ccn(C2CCCC2)n1 ZINC001088529373 980446737 /nfs/dbraw/zinc/44/67/37/980446737.db2.gz SJKKIDYTRBYVBP-KDOFPFPSSA-N 1 2 366.469 2.591 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(F)cn2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088534695 980471321 /nfs/dbraw/zinc/47/13/21/980471321.db2.gz HPPOVUGSCPJGEE-PXAZEXFGSA-N 1 2 356.376 2.624 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(F)cn2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088534695 980471325 /nfs/dbraw/zinc/47/13/25/980471325.db2.gz HPPOVUGSCPJGEE-PXAZEXFGSA-N 1 2 356.376 2.624 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nc(CC)no3)C[C@H]21 ZINC001075885092 980474199 /nfs/dbraw/zinc/47/41/99/980474199.db2.gz DYXGXSXVWNEMDD-HLLBOEOZSA-N 1 2 369.469 2.527 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nc(CC)no3)C[C@H]21 ZINC001075885092 980474205 /nfs/dbraw/zinc/47/42/05/980474205.db2.gz DYXGXSXVWNEMDD-HLLBOEOZSA-N 1 2 369.469 2.527 20 30 FFEDLO CCc1[nH]ccc1C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001088552764 980745544 /nfs/dbraw/zinc/74/55/44/980745544.db2.gz VATNPEWAYLLZIK-YJYMSZOUSA-N 1 2 354.429 2.981 20 30 FFEDLO CCc1[nH]ccc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001088552764 980745548 /nfs/dbraw/zinc/74/55/48/980745548.db2.gz VATNPEWAYLLZIK-YJYMSZOUSA-N 1 2 354.429 2.981 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@H]1OC ZINC001212022222 981457636 /nfs/dbraw/zinc/45/76/36/981457636.db2.gz GVJRQGGDJHWRFK-HZPDHXFCSA-N 1 2 356.388 2.987 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@H]1OC ZINC001212022222 981457641 /nfs/dbraw/zinc/45/76/41/981457641.db2.gz GVJRQGGDJHWRFK-HZPDHXFCSA-N 1 2 356.388 2.987 20 30 FFEDLO Cc1cccnc1NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000878052400 1014837505 /nfs/dbraw/zinc/83/75/05/1014837505.db2.gz ZYBMXLILEBWPNY-UHFFFAOYSA-N 1 2 350.422 2.744 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C)CC1 ZINC000989731672 982819788 /nfs/dbraw/zinc/81/97/88/982819788.db2.gz OEQZWKHMKNREQO-OIISXLGYSA-N 1 2 370.497 2.682 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(=O)Nc3ccc(F)cc3)[C@@H]2C)C1 ZINC001088840312 984474988 /nfs/dbraw/zinc/47/49/88/984474988.db2.gz DIALEBLXDSGOAC-PBHICJAKSA-N 1 2 359.445 2.700 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(=O)Nc3ccc(F)cc3)[C@@H]2C)C1 ZINC001088840312 984474990 /nfs/dbraw/zinc/47/49/90/984474990.db2.gz DIALEBLXDSGOAC-PBHICJAKSA-N 1 2 359.445 2.700 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000058537539 984614319 /nfs/dbraw/zinc/61/43/19/984614319.db2.gz FIGTWJQHQBJJSI-MRXNPFEDSA-N 1 2 369.490 2.990 20 30 FFEDLO CN(C(=O)OC(C)(C)C)C1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000170960007 985186446 /nfs/dbraw/zinc/18/64/46/985186446.db2.gz ZHAUWDBVIHPVQH-UHFFFAOYSA-N 1 2 372.469 2.828 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cncc(Cl)c2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088920563 985459810 /nfs/dbraw/zinc/45/98/10/985459810.db2.gz LQLXBUDPKXNRCA-ACJLOTCBSA-N 1 2 354.841 2.999 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cncc(Cl)c2)CC[N@H+]1Cc1ccccc1C#N ZINC001088920563 985459815 /nfs/dbraw/zinc/45/98/15/985459815.db2.gz LQLXBUDPKXNRCA-ACJLOTCBSA-N 1 2 354.841 2.999 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cc3c([nH]2)CCC3)[C@H]1C ZINC001088973192 985701163 /nfs/dbraw/zinc/70/11/63/985701163.db2.gz AOGRNZRCEJQMFM-YPMHNXCESA-N 1 2 352.276 2.605 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cc3c([nH]2)CCC3)[C@H]1C ZINC001088973192 985701175 /nfs/dbraw/zinc/70/11/75/985701175.db2.gz AOGRNZRCEJQMFM-YPMHNXCESA-N 1 2 352.276 2.605 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001089032116 986022269 /nfs/dbraw/zinc/02/22/69/986022269.db2.gz VCWVNDIHOPCUJA-DYVFJYSZSA-N 1 2 370.428 2.949 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001089032116 986022283 /nfs/dbraw/zinc/02/22/83/986022283.db2.gz VCWVNDIHOPCUJA-DYVFJYSZSA-N 1 2 370.428 2.949 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001007360082 1015193905 /nfs/dbraw/zinc/19/39/05/1015193905.db2.gz KAKLJLQNPKRKBK-ZCNNSNEGSA-N 1 2 353.466 2.620 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001007360082 1015193909 /nfs/dbraw/zinc/19/39/09/1015193909.db2.gz KAKLJLQNPKRKBK-ZCNNSNEGSA-N 1 2 353.466 2.620 20 30 FFEDLO COCc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)cs1 ZINC001089072563 986226254 /nfs/dbraw/zinc/22/62/54/986226254.db2.gz KBOZRIJTTWZMMX-CJNGLKHVSA-N 1 2 370.478 2.554 20 30 FFEDLO COCc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)cs1 ZINC001089072563 986226264 /nfs/dbraw/zinc/22/62/64/986226264.db2.gz KBOZRIJTTWZMMX-CJNGLKHVSA-N 1 2 370.478 2.554 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1nc(C)oc1C ZINC001089229096 986622300 /nfs/dbraw/zinc/62/23/00/986622300.db2.gz ZALHWHQPOMXBMX-SCTDSRPQSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1nc(C)oc1C ZINC001089229096 986622305 /nfs/dbraw/zinc/62/23/05/986622305.db2.gz ZALHWHQPOMXBMX-SCTDSRPQSA-N 1 2 361.486 2.695 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H](C)C(C)(C)C ZINC001212469759 987528002 /nfs/dbraw/zinc/52/80/02/987528002.db2.gz LEQRDSLADQUAMU-MORSLUCNSA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H](C)C(C)(C)C ZINC001212469759 987528005 /nfs/dbraw/zinc/52/80/05/987528005.db2.gz LEQRDSLADQUAMU-MORSLUCNSA-N 1 2 361.461 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001061275289 988086044 /nfs/dbraw/zinc/08/60/44/988086044.db2.gz KXVFDPWHYWFSAX-LNLFQRSKSA-N 1 2 358.486 2.584 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)nn1 ZINC000657474755 988116269 /nfs/dbraw/zinc/11/62/69/988116269.db2.gz QTRTYKSNQFLEJC-DNVCBOLYSA-N 1 2 371.460 2.835 20 30 FFEDLO C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001003855966 988347611 /nfs/dbraw/zinc/34/76/11/988347611.db2.gz NSUMEMZPNRXFTK-UNEWFSDZSA-N 1 2 352.438 2.637 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](N(CC)C(=O)[C@@H]3C[C@H]3CC)C2)c1 ZINC001033964120 989881256 /nfs/dbraw/zinc/88/12/56/989881256.db2.gz SGUFWYITCPFOHG-MISYRCLQSA-N 1 2 367.493 2.575 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](N(CC)C(=O)[C@@H]3C[C@H]3CC)C2)c1 ZINC001033964120 989881267 /nfs/dbraw/zinc/88/12/67/989881267.db2.gz SGUFWYITCPFOHG-MISYRCLQSA-N 1 2 367.493 2.575 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3C[C@H]3CC)C2)c1 ZINC001034405719 990048102 /nfs/dbraw/zinc/04/81/02/990048102.db2.gz HCLFRPZABSDVCM-MISYRCLQSA-N 1 2 367.493 2.623 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3C[C@H]3CC)C2)c1 ZINC001034405719 990048111 /nfs/dbraw/zinc/04/81/11/990048111.db2.gz HCLFRPZABSDVCM-MISYRCLQSA-N 1 2 367.493 2.623 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CC1(C)CCCC1 ZINC001212223844 990141064 /nfs/dbraw/zinc/14/10/64/990141064.db2.gz VLVIKWLQSNNECG-IAGOWNOFSA-N 1 2 361.511 2.906 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CC1(C)CCCC1 ZINC001212223844 990141068 /nfs/dbraw/zinc/14/10/68/990141068.db2.gz VLVIKWLQSNNECG-IAGOWNOFSA-N 1 2 361.511 2.906 20 30 FFEDLO Cc1cc(NC(=O)CO[NH+]=C(N)c2ccc(F)c(C)c2)n(C(C)(C)C)n1 ZINC000154513200 990271920 /nfs/dbraw/zinc/27/19/20/990271920.db2.gz DACNSGIQAXZAER-UHFFFAOYSA-N 1 2 361.421 2.670 20 30 FFEDLO CC(=O)CCC(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000130572970 990357289 /nfs/dbraw/zinc/35/72/89/990357289.db2.gz XZVGWXRSMXRGJP-UHFFFAOYSA-N 1 2 355.482 2.988 20 30 FFEDLO CC(=O)CCC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000130572970 990357293 /nfs/dbraw/zinc/35/72/93/990357293.db2.gz XZVGWXRSMXRGJP-UHFFFAOYSA-N 1 2 355.482 2.988 20 30 FFEDLO C=CCCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001078992466 990436572 /nfs/dbraw/zinc/43/65/72/990436572.db2.gz FDIICUBYQKULFD-BRWVUGGUSA-N 1 2 358.486 2.709 20 30 FFEDLO C=CCCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001078992466 990436576 /nfs/dbraw/zinc/43/65/76/990436576.db2.gz FDIICUBYQKULFD-BRWVUGGUSA-N 1 2 358.486 2.709 20 30 FFEDLO C=CCC(CC=C)C(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001062263137 990695055 /nfs/dbraw/zinc/69/50/55/990695055.db2.gz YBPGFJBAPABTOD-KZNAEPCWSA-N 1 2 370.497 2.779 20 30 FFEDLO C=CCC(CC=C)C(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001062263137 990695058 /nfs/dbraw/zinc/69/50/58/990695058.db2.gz YBPGFJBAPABTOD-KZNAEPCWSA-N 1 2 370.497 2.779 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cccc3[nH+]ccn32)C1 ZINC001005950300 990905529 /nfs/dbraw/zinc/90/55/29/990905529.db2.gz LHXBSCJEXBCPJT-OAGGEKHMSA-N 1 2 364.449 2.552 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CCNc2cc[nH+]c(C)n2)CC1 ZINC001063340612 991450398 /nfs/dbraw/zinc/45/03/98/991450398.db2.gz JRPGBSMYXYNVKS-MSOLQXFVSA-N 1 2 358.486 2.807 20 30 FFEDLO N#C[C@H](C(=O)C[NH+]1CCC2(CCC2)CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000796514332 1015651437 /nfs/dbraw/zinc/65/14/37/1015651437.db2.gz AHHKKDCRTNQHCE-OAHLLOKOSA-N 1 2 350.422 2.778 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCC[C@H](CN(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000967446790 1015669454 /nfs/dbraw/zinc/66/94/54/1015669454.db2.gz VCRMUMAXOLWTOS-BRWVUGGUSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCC[C@H](CN(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000967446790 1015669459 /nfs/dbraw/zinc/66/94/59/1015669459.db2.gz VCRMUMAXOLWTOS-BRWVUGGUSA-N 1 2 370.497 2.567 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@H]1CCCOC1 ZINC001079481829 992124722 /nfs/dbraw/zinc/12/47/22/992124722.db2.gz XFAWPDRWYPQJKE-HHXXYDBFSA-N 1 2 360.885 2.555 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@H]1CCCOC1 ZINC001079481829 992124726 /nfs/dbraw/zinc/12/47/26/992124726.db2.gz XFAWPDRWYPQJKE-HHXXYDBFSA-N 1 2 360.885 2.555 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2F)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079542503 992193063 /nfs/dbraw/zinc/19/30/63/992193063.db2.gz WOLAWBBKIFZKAT-BDJLRTHQSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2F)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079542503 992193068 /nfs/dbraw/zinc/19/30/68/992193068.db2.gz WOLAWBBKIFZKAT-BDJLRTHQSA-N 1 2 360.820 2.929 20 30 FFEDLO CCCCc1nc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC001079581360 992225727 /nfs/dbraw/zinc/22/57/27/992225727.db2.gz MHSDIGCARJCPOM-CXAGYDPISA-N 1 2 371.510 2.936 20 30 FFEDLO CCCCc1nc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC001079581360 992225740 /nfs/dbraw/zinc/22/57/40/992225740.db2.gz MHSDIGCARJCPOM-CXAGYDPISA-N 1 2 371.510 2.936 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[NH+]1CCN(c2ccc(C#N)nc2)CC1)c1ccccc1 ZINC000879926844 1015709257 /nfs/dbraw/zinc/70/92/57/1015709257.db2.gz FURKAAWGTHZHEK-QFIPXVFZSA-N 1 2 373.460 2.516 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2nc(C)oc2C)C1 ZINC001008810745 1015717968 /nfs/dbraw/zinc/71/79/68/1015717968.db2.gz NQRXYELAILHMCD-AOIWGVFYSA-N 1 2 361.486 2.743 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001008810745 1015717974 /nfs/dbraw/zinc/71/79/74/1015717974.db2.gz NQRXYELAILHMCD-AOIWGVFYSA-N 1 2 361.486 2.743 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ncc(Cl)s1 ZINC001080125485 992761534 /nfs/dbraw/zinc/76/15/34/992761534.db2.gz VEQPXJDEYIXBKU-UKRRQHHQSA-N 1 2 359.882 2.898 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ncc(Cl)s1 ZINC001080125485 992761540 /nfs/dbraw/zinc/76/15/40/992761540.db2.gz VEQPXJDEYIXBKU-UKRRQHHQSA-N 1 2 359.882 2.898 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nccc3occc32)C1 ZINC001080176096 992795615 /nfs/dbraw/zinc/79/56/15/992795615.db2.gz GJROXZPCLVNWHK-ZWNOBZJWSA-N 1 2 364.243 2.787 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nccc3occc32)C1 ZINC001080176096 992795622 /nfs/dbraw/zinc/79/56/22/992795622.db2.gz GJROXZPCLVNWHK-ZWNOBZJWSA-N 1 2 364.243 2.787 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ocnc1C(F)F ZINC001080457951 993069633 /nfs/dbraw/zinc/06/96/33/993069633.db2.gz XQKXMZIAAJOCHM-BXKDBHETSA-N 1 2 366.393 2.796 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ocnc1C(F)F ZINC001080457951 993069640 /nfs/dbraw/zinc/06/96/40/993069640.db2.gz XQKXMZIAAJOCHM-BXKDBHETSA-N 1 2 366.393 2.796 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2csc(C)n2)C[C@H]1C ZINC001080589825 993196828 /nfs/dbraw/zinc/19/68/28/993196828.db2.gz NREZFSUFKLJPPA-RNJTYBCJSA-N 1 2 363.527 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2csc(C)n2)C[C@H]1C ZINC001080589825 993196832 /nfs/dbraw/zinc/19/68/32/993196832.db2.gz NREZFSUFKLJPPA-RNJTYBCJSA-N 1 2 363.527 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001080598753 993217157 /nfs/dbraw/zinc/21/71/57/993217157.db2.gz TZEPCJYQQPJDCM-YGBSJELFSA-N 1 2 371.456 2.615 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001080598753 993217160 /nfs/dbraw/zinc/21/71/60/993217160.db2.gz TZEPCJYQQPJDCM-YGBSJELFSA-N 1 2 371.456 2.615 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)c1nccs1 ZINC001080660919 993255464 /nfs/dbraw/zinc/25/54/64/993255464.db2.gz ZGIFDTUWFPXCEW-CZUORRHYSA-N 1 2 359.882 2.898 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)c1nccs1 ZINC001080660919 993255471 /nfs/dbraw/zinc/25/54/71/993255471.db2.gz ZGIFDTUWFPXCEW-CZUORRHYSA-N 1 2 359.882 2.898 20 30 FFEDLO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]2C)cc1 ZINC001081011002 993534134 /nfs/dbraw/zinc/53/41/34/993534134.db2.gz BXQFDTYAUWBDEB-DNVCBOLYSA-N 1 2 369.465 2.727 20 30 FFEDLO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]2C)cc1 ZINC001081011002 993534140 /nfs/dbraw/zinc/53/41/40/993534140.db2.gz BXQFDTYAUWBDEB-DNVCBOLYSA-N 1 2 369.465 2.727 20 30 FFEDLO CO[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000880302682 1015801787 /nfs/dbraw/zinc/80/17/87/1015801787.db2.gz ALBFGJSNDVHREE-YOEHRIQHSA-N 1 2 369.387 2.975 20 30 FFEDLO CO[C@@]1(C(F)(F)F)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000880302682 1015801794 /nfs/dbraw/zinc/80/17/94/1015801794.db2.gz ALBFGJSNDVHREE-YOEHRIQHSA-N 1 2 369.387 2.975 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1csc(C)c1C ZINC001081728674 993938622 /nfs/dbraw/zinc/93/86/22/993938622.db2.gz XFBLYGKGUBONKL-WOJBJXKFSA-N 1 2 368.502 2.846 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1csc(C)c1C ZINC001081728674 993938634 /nfs/dbraw/zinc/93/86/34/993938634.db2.gz XFBLYGKGUBONKL-WOJBJXKFSA-N 1 2 368.502 2.846 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CCCC12CC2 ZINC001081850256 994018455 /nfs/dbraw/zinc/01/84/55/994018455.db2.gz BZHYNBXLISMRRC-XUVXKRRUSA-N 1 2 370.468 2.573 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CCCC12CC2 ZINC001081850256 994018464 /nfs/dbraw/zinc/01/84/64/994018464.db2.gz BZHYNBXLISMRRC-XUVXKRRUSA-N 1 2 370.468 2.573 20 30 FFEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1)C(C)(C)C ZINC000808314824 994082189 /nfs/dbraw/zinc/08/21/89/994082189.db2.gz JHXRHAPBTKNXML-LJQANCHMSA-N 1 2 357.498 2.879 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1occc1C(C)C ZINC001082057753 994135393 /nfs/dbraw/zinc/13/53/93/994135393.db2.gz BTFMNBYNZMTLFX-RTBURBONSA-N 1 2 367.449 2.904 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1occc1C(C)C ZINC001082057753 994135401 /nfs/dbraw/zinc/13/54/01/994135401.db2.gz BTFMNBYNZMTLFX-RTBURBONSA-N 1 2 367.449 2.904 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H](C)C1CCCC1 ZINC001082318925 994366691 /nfs/dbraw/zinc/36/66/91/994366691.db2.gz IXHCHMMDOKQJLI-IOMROCGXSA-N 1 2 354.494 2.680 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H](C)C1CCCC1 ZINC001082318925 994366698 /nfs/dbraw/zinc/36/66/98/994366698.db2.gz IXHCHMMDOKQJLI-IOMROCGXSA-N 1 2 354.494 2.680 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)CO2 ZINC001053878197 1015899579 /nfs/dbraw/zinc/89/95/79/1015899579.db2.gz DLTSWOPHPOUBOZ-HSALFYBXSA-N 1 2 354.494 2.791 20 30 FFEDLO C#C[C@@H](NC(=O)NCCc1cn2cccc(C)c2[nH+]1)c1ccc(F)cc1 ZINC000812892453 995571971 /nfs/dbraw/zinc/57/19/71/995571971.db2.gz QNSUQCHJXOBQKW-GOSISDBHSA-N 1 2 350.397 2.998 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172314 995633726 /nfs/dbraw/zinc/63/37/26/995633726.db2.gz FGZIJMUZUIWJNK-HNNXBMFYSA-N 1 2 355.350 2.799 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172314 995633727 /nfs/dbraw/zinc/63/37/27/995633727.db2.gz FGZIJMUZUIWJNK-HNNXBMFYSA-N 1 2 355.350 2.799 20 30 FFEDLO C=CCOc1ccc(/C=C/C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1OC ZINC000727751132 995941090 /nfs/dbraw/zinc/94/10/90/995941090.db2.gz KOUIQBXGGHQVGN-FNORWQNLSA-N 1 2 366.417 2.958 20 30 FFEDLO O=C(C1CCCCCC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083022631 996017554 /nfs/dbraw/zinc/01/75/54/996017554.db2.gz SCRCFAHCNHCPIM-FCHUYYIVSA-N 1 2 366.505 2.920 20 30 FFEDLO O=C(C1CCCCCC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083022631 996017557 /nfs/dbraw/zinc/01/75/57/996017557.db2.gz SCRCFAHCNHCPIM-FCHUYYIVSA-N 1 2 366.505 2.920 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(F)c4ccccc4c3)[C@H]2C1 ZINC001083100613 996085595 /nfs/dbraw/zinc/08/55/95/996085595.db2.gz RRHKJQPZXLVMJF-VQTJNVASSA-N 1 2 352.409 2.527 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(F)c4ccccc4c3)[C@H]2C1 ZINC001083100613 996085598 /nfs/dbraw/zinc/08/55/98/996085598.db2.gz RRHKJQPZXLVMJF-VQTJNVASSA-N 1 2 352.409 2.527 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3sc4ccccc4c3C)[C@H]2C1 ZINC001083136537 996102379 /nfs/dbraw/zinc/10/23/79/996102379.db2.gz CAHGERPNBNBACC-DLBZAZTESA-N 1 2 354.475 2.758 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3sc4ccccc4c3C)[C@H]2C1 ZINC001083136537 996102380 /nfs/dbraw/zinc/10/23/80/996102380.db2.gz CAHGERPNBNBACC-DLBZAZTESA-N 1 2 354.475 2.758 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)o1 ZINC001084171752 996302904 /nfs/dbraw/zinc/30/29/04/996302904.db2.gz RQGSHBAZVYINST-CRAIPNDOSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)o1 ZINC001084171752 996302909 /nfs/dbraw/zinc/30/29/09/996302909.db2.gz RQGSHBAZVYINST-CRAIPNDOSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1ncsc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084207355 996341971 /nfs/dbraw/zinc/34/19/71/996341971.db2.gz KRHPUCQNKHMZLQ-NVXWUHKLSA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1ncsc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084207355 996341973 /nfs/dbraw/zinc/34/19/73/996341973.db2.gz KRHPUCQNKHMZLQ-NVXWUHKLSA-N 1 2 370.453 2.809 20 30 FFEDLO CCc1ocnc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084247159 996352620 /nfs/dbraw/zinc/35/26/20/996352620.db2.gz ZIRDFRFMQOUXKB-SJLPKXTDSA-N 1 2 367.424 2.574 20 30 FFEDLO CCc1ocnc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084247159 996352623 /nfs/dbraw/zinc/35/26/23/996352623.db2.gz ZIRDFRFMQOUXKB-SJLPKXTDSA-N 1 2 367.424 2.574 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccncc4F)[C@@H]3C2)cc1F ZINC001084248986 996354083 /nfs/dbraw/zinc/35/40/83/996354083.db2.gz DTKCOFYDLZMCRS-DNVCBOLYSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccncc4F)[C@@H]3C2)cc1F ZINC001084248986 996354088 /nfs/dbraw/zinc/35/40/88/996354088.db2.gz DTKCOFYDLZMCRS-DNVCBOLYSA-N 1 2 368.387 2.578 20 30 FFEDLO C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21)n1cccc1 ZINC001084285834 996391222 /nfs/dbraw/zinc/39/12/22/996391222.db2.gz QNIAXTCHEUIFSB-XFQXTVEOSA-N 1 2 366.440 2.793 20 30 FFEDLO C[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21)n1cccc1 ZINC001084285834 996391226 /nfs/dbraw/zinc/39/12/26/996391226.db2.gz QNIAXTCHEUIFSB-XFQXTVEOSA-N 1 2 366.440 2.793 20 30 FFEDLO CC[C@H](SC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084283440 996427821 /nfs/dbraw/zinc/42/78/21/996427821.db2.gz AZIIHWZSIHVDBT-OLMNPRSZSA-N 1 2 361.486 2.872 20 30 FFEDLO CC[C@H](SC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084283440 996427823 /nfs/dbraw/zinc/42/78/23/996427823.db2.gz AZIIHWZSIHVDBT-OLMNPRSZSA-N 1 2 361.486 2.872 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21)n1cccc1 ZINC001084285387 996431263 /nfs/dbraw/zinc/43/12/63/996431263.db2.gz BLRHVRBPQVDGAW-FBBABVLZSA-N 1 2 365.452 2.773 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21)n1cccc1 ZINC001084285387 996431268 /nfs/dbraw/zinc/43/12/68/996431268.db2.gz BLRHVRBPQVDGAW-FBBABVLZSA-N 1 2 365.452 2.773 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC4(F)F)[C@@H]3C2)c1 ZINC001084440131 996592316 /nfs/dbraw/zinc/59/23/16/996592316.db2.gz BWGKYEZQHWACMS-FRFSOERESA-N 1 2 363.383 2.775 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC4(F)F)[C@@H]3C2)c1 ZINC001084440131 996592319 /nfs/dbraw/zinc/59/23/19/996592319.db2.gz BWGKYEZQHWACMS-FRFSOERESA-N 1 2 363.383 2.775 20 30 FFEDLO CC(C)n1cnc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)c1 ZINC001084547498 996667057 /nfs/dbraw/zinc/66/70/57/996667057.db2.gz DAOBJBJJVQLVLS-TZIWHRDSSA-N 1 2 362.477 2.662 20 30 FFEDLO CC(C)n1cnc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)c1 ZINC001084547498 996667059 /nfs/dbraw/zinc/66/70/59/996667059.db2.gz DAOBJBJJVQLVLS-TZIWHRDSSA-N 1 2 362.477 2.662 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3c(C)nc(C(C)C)[nH]c3=O)[C@@H]2C1 ZINC001084567096 996681350 /nfs/dbraw/zinc/68/13/50/996681350.db2.gz MKCGFBDHLNCRPO-ZIAGYGMSSA-N 1 2 364.877 2.513 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(C)nc(C(C)C)[nH]c3=O)[C@@H]2C1 ZINC001084567096 996681355 /nfs/dbraw/zinc/68/13/55/996681355.db2.gz MKCGFBDHLNCRPO-ZIAGYGMSSA-N 1 2 364.877 2.513 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1nc3ccccn3c1C)CC2 ZINC001137269133 1016056495 /nfs/dbraw/zinc/05/64/95/1016056495.db2.gz BCWMLMUGZQEBJW-UHFFFAOYSA-N 1 2 351.454 2.637 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1nc3ccccn3c1C)CC2 ZINC001137269133 1016056507 /nfs/dbraw/zinc/05/65/07/1016056507.db2.gz BCWMLMUGZQEBJW-UHFFFAOYSA-N 1 2 351.454 2.637 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3nccc4[nH]ccc43)[C@@H]2C1 ZINC001084672257 996797078 /nfs/dbraw/zinc/79/70/78/996797078.db2.gz JWLLWVYDJKDRJX-YLJYHZDGSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3nccc4[nH]ccc43)[C@@H]2C1 ZINC001084672257 996797084 /nfs/dbraw/zinc/79/70/84/996797084.db2.gz JWLLWVYDJKDRJX-YLJYHZDGSA-N 1 2 371.444 2.781 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C)C2 ZINC001111432877 1016069024 /nfs/dbraw/zinc/06/90/24/1016069024.db2.gz GWEWPKBOIGNVJV-UTUPAROLSA-N 1 2 364.921 2.690 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C)C2 ZINC001111432877 1016069034 /nfs/dbraw/zinc/06/90/34/1016069034.db2.gz GWEWPKBOIGNVJV-UTUPAROLSA-N 1 2 364.921 2.690 20 30 FFEDLO CCc1oncc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084693983 996908798 /nfs/dbraw/zinc/90/87/98/996908798.db2.gz HAOUVOREJLOXEF-VQIMIIECSA-N 1 2 367.424 2.574 20 30 FFEDLO CCc1oncc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084693983 996908807 /nfs/dbraw/zinc/90/88/07/996908807.db2.gz HAOUVOREJLOXEF-VQIMIIECSA-N 1 2 367.424 2.574 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC=C(Cl)Cl)C[C@H]21 ZINC001084715379 997053158 /nfs/dbraw/zinc/05/31/58/997053158.db2.gz DCJPNFHENAHWDS-CTASWTNQSA-N 1 2 359.297 2.819 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC=C(Cl)Cl)C[C@H]21 ZINC001084715379 997053173 /nfs/dbraw/zinc/05/31/73/997053173.db2.gz DCJPNFHENAHWDS-CTASWTNQSA-N 1 2 359.297 2.819 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)CCn4cccc4)[C@@H]3C2)c1 ZINC001084740725 997149784 /nfs/dbraw/zinc/14/97/84/997149784.db2.gz WTJJYGOCDXGFLX-YLJYHZDGSA-N 1 2 366.440 2.622 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)CCn4cccc4)[C@@H]3C2)c1 ZINC001084740725 997149787 /nfs/dbraw/zinc/14/97/87/997149787.db2.gz WTJJYGOCDXGFLX-YLJYHZDGSA-N 1 2 366.440 2.622 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cnoc4C4CC4)[C@@H]3C2)s1 ZINC001084752922 997201725 /nfs/dbraw/zinc/20/17/25/997201725.db2.gz KWYWCQNKYHKZTF-CXAGYDPISA-N 1 2 368.462 2.832 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cnoc4C4CC4)[C@@H]3C2)s1 ZINC001084752922 997201735 /nfs/dbraw/zinc/20/17/35/997201735.db2.gz KWYWCQNKYHKZTF-CXAGYDPISA-N 1 2 368.462 2.832 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CC=C(Cl)Cl)C[C@H]32)cn1 ZINC001084784264 997334056 /nfs/dbraw/zinc/33/40/56/997334056.db2.gz HYZVXOHFFLJRGT-UKRRQHHQSA-N 1 2 350.249 2.528 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](CC=C(Cl)Cl)C[C@H]32)cn1 ZINC001084784264 997334063 /nfs/dbraw/zinc/33/40/63/997334063.db2.gz HYZVXOHFFLJRGT-UKRRQHHQSA-N 1 2 350.249 2.528 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4[nH]nc5ccccc54)[C@@H]3C2)cc1 ZINC001084808410 997467742 /nfs/dbraw/zinc/46/77/42/997467742.db2.gz NNYVQYGDFMXATA-YLJYHZDGSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4[nH]nc5ccccc54)[C@@H]3C2)cc1 ZINC001084808410 997467749 /nfs/dbraw/zinc/46/77/49/997467749.db2.gz NNYVQYGDFMXATA-YLJYHZDGSA-N 1 2 371.444 2.781 20 30 FFEDLO CCn1cccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084834800 997588557 /nfs/dbraw/zinc/58/85/57/997588557.db2.gz UZJAQGZPLGBVRA-YLJYHZDGSA-N 1 2 366.440 2.865 20 30 FFEDLO CCn1cccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084834800 997588568 /nfs/dbraw/zinc/58/85/68/997588568.db2.gz UZJAQGZPLGBVRA-YLJYHZDGSA-N 1 2 366.440 2.865 20 30 FFEDLO CCOC(=O)Nc1ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1C#N ZINC000844139324 997682118 /nfs/dbraw/zinc/68/21/18/997682118.db2.gz YEJGQGJNDZUZIT-LBPRGKRZSA-N 1 2 353.382 2.524 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1OC ZINC001090930988 997820390 /nfs/dbraw/zinc/82/03/90/997820390.db2.gz PRQZTDVALOUZEN-USXIJHARSA-N 1 2 360.502 2.831 20 30 FFEDLO C#Cc1cccc(NC(=O)CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000731870142 998311969 /nfs/dbraw/zinc/31/19/69/998311969.db2.gz DUJRBENPOIRFIL-IBGZPJMESA-N 1 2 369.852 2.679 20 30 FFEDLO C[C@H](CC(=O)O[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)n1cc[nH+]c1 ZINC000845279616 998462441 /nfs/dbraw/zinc/46/24/41/998462441.db2.gz DILKNQBNXJQLEK-HUUCEWRRSA-N 1 2 372.400 2.852 20 30 FFEDLO O=C(c1cnco1)N1CC[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC001085001085 998623577 /nfs/dbraw/zinc/62/35/77/998623577.db2.gz VSWNLXUZOJRDAJ-AEFFLSMTSA-N 1 2 369.852 2.916 20 30 FFEDLO O=C(c1cnco1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC001085001085 998623580 /nfs/dbraw/zinc/62/35/80/998623580.db2.gz VSWNLXUZOJRDAJ-AEFFLSMTSA-N 1 2 369.852 2.916 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ncoc3[C@H]3CCCO3)C[C@@H]21 ZINC001085004841 998651551 /nfs/dbraw/zinc/65/15/51/998651551.db2.gz NGSIYDIDOCVGCF-QLFBSQMISA-N 1 2 365.861 2.815 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ncoc3[C@H]3CCCO3)C[C@@H]21 ZINC001085004841 998651553 /nfs/dbraw/zinc/65/15/53/998651553.db2.gz NGSIYDIDOCVGCF-QLFBSQMISA-N 1 2 365.861 2.815 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ncc(C)cn4)[C@H]3C2)CC1 ZINC001085023783 998700455 /nfs/dbraw/zinc/70/04/55/998700455.db2.gz VQZGYXVBHUCVLF-MJGOQNOKSA-N 1 2 354.498 2.954 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4ncc(C)cn4)[C@H]3C2)CC1 ZINC001085023783 998700458 /nfs/dbraw/zinc/70/04/58/998700458.db2.gz VQZGYXVBHUCVLF-MJGOQNOKSA-N 1 2 354.498 2.954 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3CCC)[C@H]2C1 ZINC001085023942 998701438 /nfs/dbraw/zinc/70/14/38/998701438.db2.gz GHHXXXXWEONRNU-UWVAXJGDSA-N 1 2 359.518 2.713 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3CCC)[C@H]2C1 ZINC001085023942 998701440 /nfs/dbraw/zinc/70/14/40/998701440.db2.gz GHHXXXXWEONRNU-UWVAXJGDSA-N 1 2 359.518 2.713 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(CC)s4)[C@H]3C2)C1 ZINC001085027256 998712650 /nfs/dbraw/zinc/71/26/50/998712650.db2.gz VRLJQJXDWFTUQS-CABCVRRESA-N 1 2 360.527 2.880 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc(CC)s4)[C@H]3C2)C1 ZINC001085027256 998712655 /nfs/dbraw/zinc/71/26/55/998712655.db2.gz VRLJQJXDWFTUQS-CABCVRRESA-N 1 2 360.527 2.880 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)CC2)C1 ZINC001065691452 999123776 /nfs/dbraw/zinc/12/37/76/999123776.db2.gz KFNGILMMGRKHAU-LWYYNNOASA-N 1 2 373.541 2.524 20 30 FFEDLO C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001085380054 999425255 /nfs/dbraw/zinc/42/52/55/999425255.db2.gz GGSGRJWYEMPANW-IUIKQTSFSA-N 1 2 350.894 2.918 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC001085869213 999666632 /nfs/dbraw/zinc/66/66/32/999666632.db2.gz LDVLAMXZMAFCBC-GJYPPUQNSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC001085869213 999666633 /nfs/dbraw/zinc/66/66/33/999666633.db2.gz LDVLAMXZMAFCBC-GJYPPUQNSA-N 1 2 364.436 2.979 20 30 FFEDLO N#Cc1cccc(COC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741357370 999722202 /nfs/dbraw/zinc/72/22/02/999722202.db2.gz UNZQCBCBBUDPFT-FQEVSTJZSA-N 1 2 350.418 2.893 20 30 FFEDLO N#Cc1cccc(COC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741357370 999722203 /nfs/dbraw/zinc/72/22/03/999722203.db2.gz UNZQCBCBBUDPFT-FQEVSTJZSA-N 1 2 350.418 2.893 20 30 FFEDLO N#Cc1ccc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC000741379853 999725297 /nfs/dbraw/zinc/72/52/97/999725297.db2.gz ARSQZKWAOROKST-LJQANCHMSA-N 1 2 354.381 2.642 20 30 FFEDLO N#Cc1ccc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC000741379853 999725298 /nfs/dbraw/zinc/72/52/98/999725298.db2.gz ARSQZKWAOROKST-LJQANCHMSA-N 1 2 354.381 2.642 20 30 FFEDLO C#CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000741661946 999736309 /nfs/dbraw/zinc/73/63/09/999736309.db2.gz BULBPTCJAWMPEI-UHFFFAOYSA-N 1 2 359.429 2.528 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001108272280 999898919 /nfs/dbraw/zinc/89/89/19/999898919.db2.gz CTHUHTXMADUDEO-NLWGTHIKSA-N 1 2 360.885 2.674 20 30 FFEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001108272280 999898922 /nfs/dbraw/zinc/89/89/22/999898922.db2.gz CTHUHTXMADUDEO-NLWGTHIKSA-N 1 2 360.885 2.674 20 30 FFEDLO O=C(C#Cc1ccccc1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000766585745 1000021720 /nfs/dbraw/zinc/02/17/20/1000021720.db2.gz XYBQPNFHWPOCFS-UHFFFAOYSA-N 1 2 367.880 2.630 20 30 FFEDLO Cc1ccccc1OCCC[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766612260 1000027790 /nfs/dbraw/zinc/02/77/90/1000027790.db2.gz MVCZCDGTBAHNJU-UHFFFAOYSA-N 1 2 351.450 2.876 20 30 FFEDLO Cc1ccccc1OCCC[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766612260 1000027792 /nfs/dbraw/zinc/02/77/92/1000027792.db2.gz MVCZCDGTBAHNJU-UHFFFAOYSA-N 1 2 351.450 2.876 20 30 FFEDLO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000767731819 1000141676 /nfs/dbraw/zinc/14/16/76/1000141676.db2.gz QDWWWZYGMIEAQI-UHFFFAOYSA-N 1 2 371.462 2.691 20 30 FFEDLO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000767731819 1000141677 /nfs/dbraw/zinc/14/16/77/1000141677.db2.gz QDWWWZYGMIEAQI-UHFFFAOYSA-N 1 2 371.462 2.691 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1c(C)cccc1C ZINC001109045658 1000155422 /nfs/dbraw/zinc/15/54/22/1000155422.db2.gz ANFLINCOFBSQIX-SQNIBIBYSA-N 1 2 355.482 2.930 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1c(C)cccc1C ZINC001109045658 1000155424 /nfs/dbraw/zinc/15/54/24/1000155424.db2.gz ANFLINCOFBSQIX-SQNIBIBYSA-N 1 2 355.482 2.930 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCCCC1 ZINC001109055040 1000160381 /nfs/dbraw/zinc/16/03/81/1000160381.db2.gz LVLMHWWQQWQBKJ-QYZOEREBSA-N 1 2 361.530 2.903 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCCCC1 ZINC001109055040 1000160383 /nfs/dbraw/zinc/16/03/83/1000160383.db2.gz LVLMHWWQQWQBKJ-QYZOEREBSA-N 1 2 361.530 2.903 20 30 FFEDLO COc1ccc2nc(C[N@@H+]3[C@@H]4CC[C@H]3[C@@H](NC(=O)[C@@H](C)C#N)C4)sc2c1 ZINC001109080020 1000163144 /nfs/dbraw/zinc/16/31/44/1000163144.db2.gz IXYQWFYEQZMGBK-VZAMPYOESA-N 1 2 370.478 2.686 20 30 FFEDLO COc1ccc2nc(C[N@H+]3[C@@H]4CC[C@H]3[C@@H](NC(=O)[C@@H](C)C#N)C4)sc2c1 ZINC001109080020 1000163145 /nfs/dbraw/zinc/16/31/45/1000163145.db2.gz IXYQWFYEQZMGBK-VZAMPYOESA-N 1 2 370.478 2.686 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2cn(-c3cccc(C)c3)nc2C)CC1 ZINC000845975931 1000188792 /nfs/dbraw/zinc/18/87/92/1000188792.db2.gz NRGKFMVMELKIAV-UHFFFAOYSA-N 1 2 352.438 2.768 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCOCC2CC2)C3)c(F)c1 ZINC001109275912 1000218447 /nfs/dbraw/zinc/21/84/47/1000218447.db2.gz MCGFLYDEIBTRHQ-HOJAQTOUSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCOCC2CC2)C3)c(F)c1 ZINC001109275912 1000218452 /nfs/dbraw/zinc/21/84/52/1000218452.db2.gz MCGFLYDEIBTRHQ-HOJAQTOUSA-N 1 2 371.456 2.736 20 30 FFEDLO Cc1nn(CC(=O)OC(C)C)c(C)c1C=NNc1cc[nH+]c2ccccc12 ZINC000768361605 1000230099 /nfs/dbraw/zinc/23/00/99/1000230099.db2.gz GBVREDLKRLGCQN-UHFFFAOYSA-N 1 2 365.437 2.868 20 30 FFEDLO COCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109524151 1000593864 /nfs/dbraw/zinc/59/38/64/1000593864.db2.gz DHZLTYSFTOLVFB-NJAFHUGGSA-N 1 2 359.445 2.591 20 30 FFEDLO COCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109524151 1000593868 /nfs/dbraw/zinc/59/38/68/1000593868.db2.gz DHZLTYSFTOLVFB-NJAFHUGGSA-N 1 2 359.445 2.591 20 30 FFEDLO CN(C)c1ccc(C=[NH+]Nc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)cc1 ZINC000769808470 1000607921 /nfs/dbraw/zinc/60/79/21/1000607921.db2.gz IMJHTSFWOKKXSE-UHFFFAOYSA-N 1 2 353.430 2.799 20 30 FFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1 ZINC000769961244 1000635764 /nfs/dbraw/zinc/63/57/64/1000635764.db2.gz JBNTVVGASSUCGV-DNVCBOLYSA-N 1 2 365.433 2.919 20 30 FFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1 ZINC000769961244 1000635766 /nfs/dbraw/zinc/63/57/66/1000635766.db2.gz JBNTVVGASSUCGV-DNVCBOLYSA-N 1 2 365.433 2.919 20 30 FFEDLO CCC[C@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001109592313 1000690208 /nfs/dbraw/zinc/69/02/08/1000690208.db2.gz OLSKKDKUPONBCD-FYQPLNBISA-N 1 2 358.457 2.714 20 30 FFEDLO CCC[C@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001109592313 1000690212 /nfs/dbraw/zinc/69/02/12/1000690212.db2.gz OLSKKDKUPONBCD-FYQPLNBISA-N 1 2 358.457 2.714 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)C(C)C ZINC001109634839 1000736513 /nfs/dbraw/zinc/73/65/13/1000736513.db2.gz ZBLMUVRWFVJDCF-BDXSIMOUSA-N 1 2 370.559 2.524 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)C(C)C ZINC001109634839 1000736517 /nfs/dbraw/zinc/73/65/17/1000736517.db2.gz ZBLMUVRWFVJDCF-BDXSIMOUSA-N 1 2 370.559 2.524 20 30 FFEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001091605641 1000777858 /nfs/dbraw/zinc/77/78/58/1000777858.db2.gz AEOIKRUECHCXNU-IXDOHACOSA-N 1 2 358.486 2.644 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1)C(C)C ZINC001109675979 1000817738 /nfs/dbraw/zinc/81/77/38/1000817738.db2.gz NICGLIGOEGHXGU-XGXHKWSGSA-N 1 2 359.445 2.590 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1)C(C)C ZINC001109675979 1000817746 /nfs/dbraw/zinc/81/77/46/1000817746.db2.gz NICGLIGOEGHXGU-XGXHKWSGSA-N 1 2 359.445 2.590 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC(C)(C)C ZINC001109683407 1000839116 /nfs/dbraw/zinc/83/91/16/1000839116.db2.gz KGVKASPIDQMJOK-JJDSTIRJSA-N 1 2 363.546 2.863 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC(C)(C)C ZINC001109683407 1000839120 /nfs/dbraw/zinc/83/91/20/1000839120.db2.gz KGVKASPIDQMJOK-JJDSTIRJSA-N 1 2 363.546 2.863 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnc(OC)nc2C)CCC1 ZINC001109683283 1000839200 /nfs/dbraw/zinc/83/92/00/1000839200.db2.gz FOMCQGAFXYEEGB-SQNIBIBYSA-N 1 2 370.497 2.762 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnc(OC)nc2C)CCC1 ZINC001109683283 1000839205 /nfs/dbraw/zinc/83/92/05/1000839205.db2.gz FOMCQGAFXYEEGB-SQNIBIBYSA-N 1 2 370.497 2.762 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCc1nc(C3CC3)no1)C2 ZINC001109815979 1001040007 /nfs/dbraw/zinc/04/00/07/1001040007.db2.gz ZPLIMEPWSFUHJU-ILXRZTDVSA-N 1 2 364.877 2.744 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCc1nc(C3CC3)no1)C2 ZINC001109815979 1001040016 /nfs/dbraw/zinc/04/00/16/1001040016.db2.gz ZPLIMEPWSFUHJU-ILXRZTDVSA-N 1 2 364.877 2.744 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(CC)o3)C[C@@]2(C)C1 ZINC001091701609 1001092090 /nfs/dbraw/zinc/09/20/90/1001092090.db2.gz DKHONSBIZVEUHF-ACJLOTCBSA-N 1 2 366.893 2.691 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(CC)o3)C[C@@]2(C)C1 ZINC001091701609 1001092094 /nfs/dbraw/zinc/09/20/94/1001092094.db2.gz DKHONSBIZVEUHF-ACJLOTCBSA-N 1 2 366.893 2.691 20 30 FFEDLO CC(C)Oc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1C#N ZINC001148779748 1001202934 /nfs/dbraw/zinc/20/29/34/1001202934.db2.gz PYCXZUGZSKXWTD-QGZVFWFLSA-N 1 2 350.422 2.749 20 30 FFEDLO N#Cc1c(F)cccc1NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001110009722 1001286041 /nfs/dbraw/zinc/28/60/41/1001286041.db2.gz QHWSALQRQZZFKA-PBFPGSCMSA-N 1 2 353.401 2.531 20 30 FFEDLO N#Cc1c(F)cccc1NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001110009722 1001286047 /nfs/dbraw/zinc/28/60/47/1001286047.db2.gz QHWSALQRQZZFKA-PBFPGSCMSA-N 1 2 353.401 2.531 20 30 FFEDLO C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)c2ccc(OC(F)F)cc2)CC1 ZINC000772114310 1001301795 /nfs/dbraw/zinc/30/17/95/1001301795.db2.gz ZYBYCRRWLWYZTP-ZDUSSCGKSA-N 1 2 365.376 2.748 20 30 FFEDLO C=CC[N@@H+](CC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1)C1CC1 ZINC000772383639 1001381947 /nfs/dbraw/zinc/38/19/47/1001381947.db2.gz WSOKPRDIQIHTMJ-SFHVURJKSA-N 1 2 355.438 2.508 20 30 FFEDLO C=CC[N@H+](CC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1)C1CC1 ZINC000772383639 1001381952 /nfs/dbraw/zinc/38/19/52/1001381952.db2.gz WSOKPRDIQIHTMJ-SFHVURJKSA-N 1 2 355.438 2.508 20 30 FFEDLO COCC[N@H+](CC(=O)/C=C1\N(C)c2ccccc2C1(C)C)[C@H]1CCOC1 ZINC000786189630 1001545920 /nfs/dbraw/zinc/54/59/20/1001545920.db2.gz JEJMBEBCFSFKGW-SMEDBKPVSA-N 1 2 358.482 2.604 20 30 FFEDLO COCC[N@@H+](CC(=O)/C=C1\N(C)c2ccccc2C1(C)C)[C@H]1CCOC1 ZINC000786189630 1001545923 /nfs/dbraw/zinc/54/59/23/1001545923.db2.gz JEJMBEBCFSFKGW-SMEDBKPVSA-N 1 2 358.482 2.604 20 30 FFEDLO COc1ccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1C#N ZINC000746577213 1001579922 /nfs/dbraw/zinc/57/99/22/1001579922.db2.gz SQTISRLLEMXAJT-IBGZPJMESA-N 1 2 353.397 2.815 20 30 FFEDLO Cc1ccc(N2CC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCC3)[C@H](C)C2)cc1C ZINC000787255277 1001677436 /nfs/dbraw/zinc/67/74/36/1001677436.db2.gz RHMLXNLESKULBI-MSOLQXFVSA-N 1 2 354.498 2.765 20 30 FFEDLO Cc1ccc(N2CC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCC3)[C@H](C)C2)cc1C ZINC000787255277 1001677438 /nfs/dbraw/zinc/67/74/38/1001677438.db2.gz RHMLXNLESKULBI-MSOLQXFVSA-N 1 2 354.498 2.765 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(C(=O)N2CCCCC2)c1 ZINC000787685849 1001706174 /nfs/dbraw/zinc/70/61/74/1001706174.db2.gz RHZGQYKANYBSCU-IBGZPJMESA-N 1 2 353.466 2.657 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(C(=O)N2CCCCC2)c1 ZINC000787685849 1001706177 /nfs/dbraw/zinc/70/61/77/1001706177.db2.gz RHZGQYKANYBSCU-IBGZPJMESA-N 1 2 353.466 2.657 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(s1)CC[C@H](C)C3)C2 ZINC001110084647 1001743175 /nfs/dbraw/zinc/74/31/75/1001743175.db2.gz IOEXGQREUUIXGI-RANZSIQMSA-N 1 2 372.534 2.858 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(s1)CC[C@H](C)C3)C2 ZINC001110084647 1001743180 /nfs/dbraw/zinc/74/31/80/1001743180.db2.gz IOEXGQREUUIXGI-RANZSIQMSA-N 1 2 372.534 2.858 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[C@@H]2CCCO2)C3)c1 ZINC001110310880 1001919032 /nfs/dbraw/zinc/91/90/32/1001919032.db2.gz HEPCASZXNXHMCO-BWPNAZKDSA-N 1 2 371.456 2.878 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[C@@H]2CCCO2)C3)c1 ZINC001110310880 1001919040 /nfs/dbraw/zinc/91/90/40/1001919040.db2.gz HEPCASZXNXHMCO-BWPNAZKDSA-N 1 2 371.456 2.878 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C)OCC ZINC001092017503 1002293721 /nfs/dbraw/zinc/29/37/21/1002293721.db2.gz BURXZMHKLYUOHX-NJAFHUGGSA-N 1 2 360.502 2.857 20 30 FFEDLO CCCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1OC ZINC001110337346 1002351156 /nfs/dbraw/zinc/35/11/56/1002351156.db2.gz CFGBMELJSUHERJ-KURKYZTESA-N 1 2 373.522 2.932 20 30 FFEDLO CCCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1OC ZINC001110337346 1002351168 /nfs/dbraw/zinc/35/11/68/1002351168.db2.gz CFGBMELJSUHERJ-KURKYZTESA-N 1 2 373.522 2.932 20 30 FFEDLO CC(C)(C)[C@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000790430769 1002375071 /nfs/dbraw/zinc/37/50/71/1002375071.db2.gz DIUCUKHFGPJORJ-MAUKXSAKSA-N 1 2 364.449 2.971 20 30 FFEDLO CC(C)(C)[C@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000790430769 1002375082 /nfs/dbraw/zinc/37/50/82/1002375082.db2.gz DIUCUKHFGPJORJ-MAUKXSAKSA-N 1 2 364.449 2.971 20 30 FFEDLO Cc1ccc2c(c1)CC[N@@H+](CN1CC(=O)N(Cc3ccccc3C#N)C1=O)C2 ZINC000790448080 1002381814 /nfs/dbraw/zinc/38/18/14/1002381814.db2.gz XIAZOXFDPOLQTP-UHFFFAOYSA-N 1 2 374.444 2.647 20 30 FFEDLO Cc1ccc2c(c1)CC[N@H+](CN1CC(=O)N(Cc3ccccc3C#N)C1=O)C2 ZINC000790448080 1002381820 /nfs/dbraw/zinc/38/18/20/1002381820.db2.gz XIAZOXFDPOLQTP-UHFFFAOYSA-N 1 2 374.444 2.647 20 30 FFEDLO CCO[C@H](CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110348293 1002554605 /nfs/dbraw/zinc/55/46/05/1002554605.db2.gz YQBOFFFWIDQDQK-YSTOQKLRSA-N 1 2 358.457 2.714 20 30 FFEDLO CCO[C@H](CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110348293 1002554612 /nfs/dbraw/zinc/55/46/12/1002554612.db2.gz YQBOFFFWIDQDQK-YSTOQKLRSA-N 1 2 358.457 2.714 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cc(C)ncn2)C1 ZINC001092314213 1002662994 /nfs/dbraw/zinc/66/29/94/1002662994.db2.gz BBAWHDBTTFCRPG-HZPDHXFCSA-N 1 2 368.485 2.527 20 30 FFEDLO CC[C@@H](C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C#N)nc2)C1 ZINC001092313716 1002663305 /nfs/dbraw/zinc/66/33/05/1002663305.db2.gz OBSYYKOESCEUFM-ZTFGCOKTSA-N 1 2 366.469 2.529 20 30 FFEDLO COc1ccc([C@H](NC(=O)CO[NH+]=C(N)c2ccc(F)cc2)C2CC2)cc1 ZINC000774800327 1002768989 /nfs/dbraw/zinc/76/89/89/1002768989.db2.gz WJFIAMBBUBMSTR-LJQANCHMSA-N 1 2 371.412 2.739 20 30 FFEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1)c1nccn12 ZINC001092402631 1002778941 /nfs/dbraw/zinc/77/89/41/1002778941.db2.gz RRMAAQIHHYSKND-IPMKNSEASA-N 1 2 362.477 2.753 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccnc1OC ZINC001095535061 1016674568 /nfs/dbraw/zinc/67/45/68/1016674568.db2.gz UKQSGSJWAHRHDH-SQNIBIBYSA-N 1 2 366.465 2.613 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccnc1OC ZINC001095535061 1016674577 /nfs/dbraw/zinc/67/45/77/1016674577.db2.gz UKQSGSJWAHRHDH-SQNIBIBYSA-N 1 2 366.465 2.613 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C(C)=O)c1ccccc1)C2 ZINC001110132101 1002865348 /nfs/dbraw/zinc/86/53/48/1002865348.db2.gz VZCXNUYSAYCVIE-SQNIBIBYSA-N 1 2 361.873 2.514 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C(C)=O)c1ccccc1)C2 ZINC001110132101 1002865358 /nfs/dbraw/zinc/86/53/58/1002865358.db2.gz VZCXNUYSAYCVIE-SQNIBIBYSA-N 1 2 361.873 2.514 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110366010 1003009950 /nfs/dbraw/zinc/00/99/50/1003009950.db2.gz GTWAPUIIQODLMB-JRJVTICQSA-N 1 2 371.456 2.900 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110366010 1003009962 /nfs/dbraw/zinc/00/99/62/1003009962.db2.gz GTWAPUIIQODLMB-JRJVTICQSA-N 1 2 371.456 2.900 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1=CC[N@H+](Cc2coc(C)n2)CC1 ZINC001001246263 1016717888 /nfs/dbraw/zinc/71/78/88/1016717888.db2.gz UEUDXUQFHFYESR-OALUTQOASA-N 1 2 359.470 2.603 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1=CC[N@@H+](Cc2coc(C)n2)CC1 ZINC001001246263 1016717898 /nfs/dbraw/zinc/71/78/98/1016717898.db2.gz UEUDXUQFHFYESR-OALUTQOASA-N 1 2 359.470 2.603 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(Nc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001110369246 1003072647 /nfs/dbraw/zinc/07/26/47/1003072647.db2.gz CRELKHYVXQSGIB-CVEARBPZSA-N 1 2 358.486 2.950 20 30 FFEDLO Cc1ccc2[nH+]cc(/C=C3/CCc4c(cnn4-c4ncccn4)C3=O)n2c1 ZINC000792904520 1003224320 /nfs/dbraw/zinc/22/43/20/1003224320.db2.gz GJKHIIULKATKKC-ZROIWOOFSA-N 1 2 356.389 2.831 20 30 FFEDLO Cc1cccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001096934311 1016757103 /nfs/dbraw/zinc/75/71/03/1016757103.db2.gz PQGVLNPBIMUAMP-QRQLOZEOSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001096934311 1016757118 /nfs/dbraw/zinc/75/71/18/1016757118.db2.gz PQGVLNPBIMUAMP-QRQLOZEOSA-N 1 2 364.424 2.936 20 30 FFEDLO C=CCOCC(=O)N1C[C@@H](C)[C@H](CCNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001092616930 1003312845 /nfs/dbraw/zinc/31/28/45/1003312845.db2.gz PIENDIKGBGQLKK-RHSMWYFYSA-N 1 2 358.486 2.762 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CCNc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001092622104 1003323704 /nfs/dbraw/zinc/32/37/04/1003323704.db2.gz KIMPAIZNFVMYGF-IAGOWNOFSA-N 1 2 371.529 2.717 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CCNc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001092622104 1003323707 /nfs/dbraw/zinc/32/37/07/1003323707.db2.gz KIMPAIZNFVMYGF-IAGOWNOFSA-N 1 2 371.529 2.717 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2[nH+]cnc3c2cnn3C)C1 ZINC001092625917 1003331424 /nfs/dbraw/zinc/33/14/24/1003331424.db2.gz FNMVOBKLWDPNGD-BZUAXINKSA-N 1 2 370.501 2.862 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000793510944 1003391693 /nfs/dbraw/zinc/39/16/93/1003391693.db2.gz ZFNCYEHZPCORTB-UYAOXDASSA-N 1 2 371.481 2.627 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000793510944 1003391702 /nfs/dbraw/zinc/39/17/02/1003391702.db2.gz ZFNCYEHZPCORTB-UYAOXDASSA-N 1 2 371.481 2.627 20 30 FFEDLO Cc1cc(N2CC[C@@]3(CNC(=O)[C@H](C)C#N)CCC[C@@H]23)nc(C(C)C)[nH+]1 ZINC001092687015 1003429212 /nfs/dbraw/zinc/42/92/12/1003429212.db2.gz NMNROHQIEVUSEY-AKCHCHLHSA-N 1 2 355.486 2.933 20 30 FFEDLO O=C(CC#Cc1ccccc1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001110135476 1003526036 /nfs/dbraw/zinc/52/60/36/1003526036.db2.gz FHJOQZFXMWCMCS-HKBOAZHASA-N 1 2 363.436 2.884 20 30 FFEDLO O=C(CC#Cc1ccccc1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001110135476 1003526045 /nfs/dbraw/zinc/52/60/45/1003526045.db2.gz FHJOQZFXMWCMCS-HKBOAZHASA-N 1 2 363.436 2.884 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC=C)CCCCC1)C2 ZINC001110135453 1003526333 /nfs/dbraw/zinc/52/63/33/1003526333.db2.gz DLNIWFJKLNFCIM-SQNIBIBYSA-N 1 2 359.514 2.537 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC=C)CCCCC1)C2 ZINC001110135453 1003526336 /nfs/dbraw/zinc/52/63/36/1003526336.db2.gz DLNIWFJKLNFCIM-SQNIBIBYSA-N 1 2 359.514 2.537 20 30 FFEDLO C[C@H](CC1CCCCC1)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001196601053 1003851108 /nfs/dbraw/zinc/85/11/08/1003851108.db2.gz YWBMMCMAEOEXQI-STZQEDGTSA-N 1 2 368.521 2.806 20 30 FFEDLO C[C@H](CC1CCCCC1)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001196601053 1003851123 /nfs/dbraw/zinc/85/11/23/1003851123.db2.gz YWBMMCMAEOEXQI-STZQEDGTSA-N 1 2 368.521 2.806 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C[C@H]1O ZINC001191645940 1003913872 /nfs/dbraw/zinc/91/38/72/1003913872.db2.gz SPIOXXDZNAEWFR-DJIMGWMZSA-N 1 2 355.438 2.530 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C[C@H]1O ZINC001191645940 1003913878 /nfs/dbraw/zinc/91/38/78/1003913878.db2.gz SPIOXXDZNAEWFR-DJIMGWMZSA-N 1 2 355.438 2.530 20 30 FFEDLO N#Cc1ccc(Cl)cc1S(=O)(=O)NCc1c[nH+]cn1CC1CCC1 ZINC001196707336 1003921982 /nfs/dbraw/zinc/92/19/82/1003921982.db2.gz OZHJUAOHBFARRL-UHFFFAOYSA-N 1 2 364.858 2.687 20 30 FFEDLO CCCCCC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001197082323 1004076295 /nfs/dbraw/zinc/07/62/95/1004076295.db2.gz HINVLCJSNNDMNQ-CEWLAPEOSA-N 1 2 356.510 2.806 20 30 FFEDLO CCCCCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001197082323 1004076301 /nfs/dbraw/zinc/07/63/01/1004076301.db2.gz HINVLCJSNNDMNQ-CEWLAPEOSA-N 1 2 356.510 2.806 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1CC ZINC001110497030 1004416990 /nfs/dbraw/zinc/41/69/90/1004416990.db2.gz MFDBFBDQEUTGOM-RLLQIKCJSA-N 1 2 367.493 2.713 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1CC ZINC001110497030 1004416993 /nfs/dbraw/zinc/41/69/93/1004416993.db2.gz MFDBFBDQEUTGOM-RLLQIKCJSA-N 1 2 367.493 2.713 20 30 FFEDLO CC(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001193268256 1004429536 /nfs/dbraw/zinc/42/95/36/1004429536.db2.gz RIQPQPZDZKFTGO-QZTJIDSGSA-N 1 2 362.901 2.535 20 30 FFEDLO CC(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001193268256 1004429540 /nfs/dbraw/zinc/42/95/40/1004429540.db2.gz RIQPQPZDZKFTGO-QZTJIDSGSA-N 1 2 362.901 2.535 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2oc(CC)nc2C)C[C@H]1O ZINC001198088051 1004476969 /nfs/dbraw/zinc/47/69/69/1004476969.db2.gz VWFAFXPUEXSPSH-IAGOWNOFSA-N 1 2 365.518 2.957 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2oc(CC)nc2C)C[C@H]1O ZINC001198088051 1004476975 /nfs/dbraw/zinc/47/69/75/1004476975.db2.gz VWFAFXPUEXSPSH-IAGOWNOFSA-N 1 2 365.518 2.957 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(O)ccc1Cl ZINC001110502893 1004489336 /nfs/dbraw/zinc/48/93/36/1004489336.db2.gz VTJZDWMEQXCBCK-UEILYKACSA-N 1 2 364.873 2.594 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(O)ccc1Cl ZINC001110502893 1004489340 /nfs/dbraw/zinc/48/93/40/1004489340.db2.gz VTJZDWMEQXCBCK-UEILYKACSA-N 1 2 364.873 2.594 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000807178447 1004529123 /nfs/dbraw/zinc/52/91/23/1004529123.db2.gz LULUSUFULKACTQ-OALUTQOASA-N 1 2 369.852 2.518 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000807178447 1004529128 /nfs/dbraw/zinc/52/91/28/1004529128.db2.gz LULUSUFULKACTQ-OALUTQOASA-N 1 2 369.852 2.518 20 30 FFEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2ccccc2Oc2ccccc2)CC1 ZINC001198490864 1004636927 /nfs/dbraw/zinc/63/69/27/1004636927.db2.gz KTBXPTQFZGTLRC-UHFFFAOYSA-N 1 2 371.462 2.745 20 30 FFEDLO CCCCC[C@@](C)(CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131127851 1004737476 /nfs/dbraw/zinc/73/74/76/1004737476.db2.gz IAYYVAXKTBLTNY-MBOZVWFJSA-N 1 2 359.518 2.824 20 30 FFEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1OCC[C@H]1C)c1ccccc1OC ZINC001198908511 1004790076 /nfs/dbraw/zinc/79/00/76/1004790076.db2.gz HUCHZIHXIOWBQW-PVUWLOKVSA-N 1 2 352.862 2.620 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1O ZINC001195554113 1004982055 /nfs/dbraw/zinc/98/20/55/1004982055.db2.gz CMAZHCSIPRXSJS-IAOVAPTHSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1O ZINC001195554113 1004982057 /nfs/dbraw/zinc/98/20/57/1004982057.db2.gz CMAZHCSIPRXSJS-IAOVAPTHSA-N 1 2 370.415 2.969 20 30 FFEDLO Cc1cnccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001097043957 1016941476 /nfs/dbraw/zinc/94/14/76/1016941476.db2.gz KWOLODJOJGROFA-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cnccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001097043957 1016941484 /nfs/dbraw/zinc/94/14/84/1016941484.db2.gz KWOLODJOJGROFA-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]2(CC)c1cccc(Nc2ccc(N)[nH+]c2)c1 ZINC001201300132 1005196585 /nfs/dbraw/zinc/19/65/85/1005196585.db2.gz MWONAWQXKFSJJM-RMFSNUHRSA-N 1 2 362.433 2.856 20 30 FFEDLO Cc1cnccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001097048997 1016947532 /nfs/dbraw/zinc/94/75/32/1016947532.db2.gz QTINRJNPLXAGRJ-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cnccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001097048997 1016947542 /nfs/dbraw/zinc/94/75/42/1016947542.db2.gz QTINRJNPLXAGRJ-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(F)C(F)(F)F)C3)cc1 ZINC001110581054 1005346555 /nfs/dbraw/zinc/34/65/55/1005346555.db2.gz FGZWYNYMENIHCP-APIJFGDWSA-N 1 2 355.335 2.680 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(F)C(F)(F)F)C3)cc1 ZINC001110581054 1005346558 /nfs/dbraw/zinc/34/65/58/1005346558.db2.gz FGZWYNYMENIHCP-APIJFGDWSA-N 1 2 355.335 2.680 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3nnc4n3CCCC4)[C@@H]2CC)CCC1 ZINC001489133598 1005414968 /nfs/dbraw/zinc/41/49/68/1005414968.db2.gz VZGGGKOCAGAHPD-DLBZAZTESA-N 1 2 371.529 2.830 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3nnc4n3CCCC4)[C@@H]2CC)CCC1 ZINC001489133598 1005414970 /nfs/dbraw/zinc/41/49/70/1005414970.db2.gz VZGGGKOCAGAHPD-DLBZAZTESA-N 1 2 371.529 2.830 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC)CC[C@@H]1c1ccccc1 ZINC001489094762 1005418626 /nfs/dbraw/zinc/41/86/26/1005418626.db2.gz XEGYMVJMWQGHLY-WOIUINJBSA-N 1 2 371.525 2.699 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC)CC[C@@H]1c1ccccc1 ZINC001489094762 1005418628 /nfs/dbraw/zinc/41/86/28/1005418628.db2.gz XEGYMVJMWQGHLY-WOIUINJBSA-N 1 2 371.525 2.699 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001489453225 1005478100 /nfs/dbraw/zinc/47/81/00/1005478100.db2.gz PVEHPKGQSJMAQP-CXAGYDPISA-N 1 2 354.454 2.742 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001490615718 1005745444 /nfs/dbraw/zinc/74/54/44/1005745444.db2.gz VFVCWXVDRQJNLM-OHFALNGGSA-N 1 2 370.497 2.680 20 30 FFEDLO C[C@H](O[NH+]=C(N)c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000852299595 1005965777 /nfs/dbraw/zinc/96/57/77/1005965777.db2.gz VOPJQCAUBXJVEM-LBPRGKRZSA-N 1 2 373.384 2.651 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nc4ccccc4c(=O)[nH]3)C[C@H]21 ZINC001187233719 1005969250 /nfs/dbraw/zinc/96/92/50/1005969250.db2.gz YKDXFZGRYMXZFL-RLFYNMQTSA-N 1 2 366.465 2.895 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3nc4ccccc4c(=O)[nH]3)C[C@H]21 ZINC001187233719 1005969253 /nfs/dbraw/zinc/96/92/53/1005969253.db2.gz YKDXFZGRYMXZFL-RLFYNMQTSA-N 1 2 366.465 2.895 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(-c4occc4C)o3)C[C@H]21 ZINC001187240626 1005972028 /nfs/dbraw/zinc/97/20/28/1005972028.db2.gz UWASGHVSNFITDM-LSDHHAIUSA-N 1 2 356.426 2.637 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3nnc(-c4occc4C)o3)C[C@H]21 ZINC001187240626 1005972035 /nfs/dbraw/zinc/97/20/35/1005972035.db2.gz UWASGHVSNFITDM-LSDHHAIUSA-N 1 2 356.426 2.637 20 30 FFEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1 ZINC000852319382 1005974401 /nfs/dbraw/zinc/97/44/01/1005974401.db2.gz LOQYLGSMBAXUKE-MRXNPFEDSA-N 1 2 368.481 2.923 20 30 FFEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1 ZINC000852319382 1005974408 /nfs/dbraw/zinc/97/44/08/1005974408.db2.gz LOQYLGSMBAXUKE-MRXNPFEDSA-N 1 2 368.481 2.923 20 30 FFEDLO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@H](CC#N)C3)cc2)C[C@@H](C)O1 ZINC000852319577 1005976673 /nfs/dbraw/zinc/97/66/73/1005976673.db2.gz PJZXESJGVNTGQM-KURKYZTESA-N 1 2 370.497 2.864 20 30 FFEDLO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H](CC#N)C3)cc2)C[C@@H](C)O1 ZINC000852319577 1005976676 /nfs/dbraw/zinc/97/66/76/1005976676.db2.gz PJZXESJGVNTGQM-KURKYZTESA-N 1 2 370.497 2.864 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccnc2OC)CCC1 ZINC001110652884 1006105730 /nfs/dbraw/zinc/10/57/30/1006105730.db2.gz YZVUYYSCHJRHIG-KURKYZTESA-N 1 2 353.466 2.505 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccnc2OC)CCC1 ZINC001110652884 1006105739 /nfs/dbraw/zinc/10/57/39/1006105739.db2.gz YZVUYYSCHJRHIG-KURKYZTESA-N 1 2 353.466 2.505 20 30 FFEDLO C=C(C)C[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C(=O)OCC ZINC000881755785 1006206804 /nfs/dbraw/zinc/20/68/04/1006206804.db2.gz PLPFYZHKSZKTQU-SJORKVTESA-N 1 2 355.438 2.946 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC=C(c3cccnc3)C2)c1 ZINC001170744630 1006270072 /nfs/dbraw/zinc/27/00/72/1006270072.db2.gz ICPXGJCETWVXMR-UHFFFAOYSA-N 1 2 360.417 2.500 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC=C(c3cccnc3)C2)c1 ZINC001170744630 1006270083 /nfs/dbraw/zinc/27/00/83/1006270083.db2.gz ICPXGJCETWVXMR-UHFFFAOYSA-N 1 2 360.417 2.500 20 30 FFEDLO COCCOCc1cc(C#N)ccc1N1CCC([N@H+](C)CC(F)F)CC1 ZINC000882057426 1006288642 /nfs/dbraw/zinc/28/86/42/1006288642.db2.gz BVMBPXYZYDSOOQ-UHFFFAOYSA-N 1 2 367.440 2.887 20 30 FFEDLO COCCOCc1cc(C#N)ccc1N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000882057426 1006288650 /nfs/dbraw/zinc/28/86/50/1006288650.db2.gz BVMBPXYZYDSOOQ-UHFFFAOYSA-N 1 2 367.440 2.887 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000853320121 1006366213 /nfs/dbraw/zinc/36/62/13/1006366213.db2.gz QQWWGESQQNAGHW-INIZCTEOSA-N 1 2 364.449 2.664 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccccc3C)C[C@H]21 ZINC001188074472 1006399736 /nfs/dbraw/zinc/39/97/36/1006399736.db2.gz CYUKXBDFWVDRSM-PKOBYXMFSA-N 1 2 355.482 2.823 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3C)C[C@H]21 ZINC001188074472 1006399747 /nfs/dbraw/zinc/39/97/47/1006399747.db2.gz CYUKXBDFWVDRSM-PKOBYXMFSA-N 1 2 355.482 2.823 20 30 FFEDLO Cc1ccc(S(=O)(=O)c2ccc(N[NH+]=Cc3cnn(C)c3N)cc2)cc1 ZINC000814738371 1006419970 /nfs/dbraw/zinc/41/99/70/1006419970.db2.gz WIZPOKDRNCEPJH-UHFFFAOYSA-N 1 2 369.450 2.590 20 30 FFEDLO C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853526806 1006429096 /nfs/dbraw/zinc/42/90/96/1006429096.db2.gz ZGVOLBLOIXEDDO-VFNWGFHPSA-N 1 2 366.465 2.525 20 30 FFEDLO C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853526806 1006429103 /nfs/dbraw/zinc/42/91/03/1006429103.db2.gz ZGVOLBLOIXEDDO-VFNWGFHPSA-N 1 2 366.465 2.525 20 30 FFEDLO CCc1ccc([C@]2(CC)NC(=O)N(C[N@@H+]3CCC[C@H](CC#N)C3)C2=O)cc1 ZINC000853525662 1006429549 /nfs/dbraw/zinc/42/95/49/1006429549.db2.gz YPFPMNSETUPHOA-UTKZUKDTSA-N 1 2 368.481 2.989 20 30 FFEDLO CCc1ccc([C@]2(CC)NC(=O)N(C[N@H+]3CCC[C@H](CC#N)C3)C2=O)cc1 ZINC000853525662 1006429557 /nfs/dbraw/zinc/42/95/57/1006429557.db2.gz YPFPMNSETUPHOA-UTKZUKDTSA-N 1 2 368.481 2.989 20 30 FFEDLO COC(=O)C1(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000853658909 1006495663 /nfs/dbraw/zinc/49/56/63/1006495663.db2.gz RHHUHWCSLOHCDU-UHFFFAOYSA-N 1 2 354.406 2.856 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCC(C)(C)[C@@H]1COCC12OCCO2 ZINC000853682592 1006503336 /nfs/dbraw/zinc/50/33/36/1006503336.db2.gz UIUXRKYWPYOZDL-KRWDZBQOSA-N 1 2 360.454 2.701 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCC[N@H+](C)Cc1nccn1C(F)F ZINC001273571193 1006794293 /nfs/dbraw/zinc/79/42/93/1006794293.db2.gz AVYWMSYYVJGSJY-HOCLYGCPSA-N 1 2 370.444 2.540 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)Cc1nccn1C(F)F ZINC001273571193 1006794305 /nfs/dbraw/zinc/79/43/05/1006794305.db2.gz AVYWMSYYVJGSJY-HOCLYGCPSA-N 1 2 370.444 2.540 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4ccoc4)no3)C[C@H]21 ZINC001188999333 1006838461 /nfs/dbraw/zinc/83/84/61/1006838461.db2.gz JZAYAAJCLMPEKR-GOEBONIOSA-N 1 2 356.426 2.719 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4ccoc4)no3)C[C@H]21 ZINC001188999333 1006838480 /nfs/dbraw/zinc/83/84/80/1006838480.db2.gz JZAYAAJCLMPEKR-GOEBONIOSA-N 1 2 356.426 2.719 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc4cc(=O)[nH]cc43)CC2)cc1 ZINC001135331697 1006875555 /nfs/dbraw/zinc/87/55/55/1006875555.db2.gz AKZJGNXSPIKJPX-UHFFFAOYSA-N 1 2 372.428 2.770 20 30 FFEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCOC1 ZINC000883880123 1007057648 /nfs/dbraw/zinc/05/76/48/1007057648.db2.gz IVCMVOVBYYKHBH-VQTJNVASSA-N 1 2 370.497 2.591 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000884067912 1007213794 /nfs/dbraw/zinc/21/37/94/1007213794.db2.gz WIBHUJVAORBHQH-PMACEKPBSA-N 1 2 364.445 2.607 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1c(OC(C)C)ccc2ccccc21 ZINC000884325675 1007375171 /nfs/dbraw/zinc/37/51/71/1007375171.db2.gz XYAXJMGNMVOTCD-SFHVURJKSA-N 1 2 370.449 2.690 20 30 FFEDLO C#C[C@@H](NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2)[C@@H]1CCCO1 ZINC000775340632 1007401992 /nfs/dbraw/zinc/40/19/92/1007401992.db2.gz LTFXZTUZHQZHFD-XLIONFOSSA-N 1 2 363.461 2.523 20 30 FFEDLO C#C[C@@H](NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2)[C@@H]1CCCO1 ZINC000775340632 1007401996 /nfs/dbraw/zinc/40/19/96/1007401996.db2.gz LTFXZTUZHQZHFD-XLIONFOSSA-N 1 2 363.461 2.523 20 30 FFEDLO N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc3ccccc3o2)c[nH]1 ZINC001095329497 1007434631 /nfs/dbraw/zinc/43/46/31/1007434631.db2.gz NZTWRZWECASIDK-PVAVHDDUSA-N 1 2 361.405 2.563 20 30 FFEDLO N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc3ccccc3o2)c[nH]1 ZINC001095329497 1007434635 /nfs/dbraw/zinc/43/46/35/1007434635.db2.gz NZTWRZWECASIDK-PVAVHDDUSA-N 1 2 361.405 2.563 20 30 FFEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)nc1-c1cnccn1 ZINC000884481508 1007460368 /nfs/dbraw/zinc/46/03/68/1007460368.db2.gz LYTXNQDMZKSTPJ-HOCLYGCPSA-N 1 2 372.498 2.515 20 30 FFEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)nc1-c1cnccn1 ZINC000884481508 1007460371 /nfs/dbraw/zinc/46/03/71/1007460371.db2.gz LYTXNQDMZKSTPJ-HOCLYGCPSA-N 1 2 372.498 2.515 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)sc1C ZINC001110424506 1007521770 /nfs/dbraw/zinc/52/17/70/1007521770.db2.gz PERPUIPYRLBVCR-NUJGCVRESA-N 1 2 363.527 2.964 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)sc1C ZINC001110424506 1007521779 /nfs/dbraw/zinc/52/17/79/1007521779.db2.gz PERPUIPYRLBVCR-NUJGCVRESA-N 1 2 363.527 2.964 20 30 FFEDLO C[C@@H]1C[C@@H](C)[N@H+](Cn2cccc(C#N)c2=O)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817376744 1007569955 /nfs/dbraw/zinc/56/99/55/1007569955.db2.gz CGROJSRUCROZMP-INMHGKMJSA-N 1 2 374.485 2.549 20 30 FFEDLO C[C@@H]1C[C@@H](C)[N@@H+](Cn2cccc(C#N)c2=O)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817376744 1007569962 /nfs/dbraw/zinc/56/99/62/1007569962.db2.gz CGROJSRUCROZMP-INMHGKMJSA-N 1 2 374.485 2.549 20 30 FFEDLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)/C=C\c2ccccc2C#N)C1 ZINC000856328414 1007772000 /nfs/dbraw/zinc/77/20/00/1007772000.db2.gz UKNYXMRHZDJAEJ-GJCOWUBNSA-N 1 2 374.488 2.504 20 30 FFEDLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)/C=C\c2ccccc2C#N)C1 ZINC000856328414 1007772009 /nfs/dbraw/zinc/77/20/09/1007772009.db2.gz UKNYXMRHZDJAEJ-GJCOWUBNSA-N 1 2 374.488 2.504 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2csc(-c3ncccn3)n2)C[C@H]1C ZINC001206509432 1032319887 /nfs/dbraw/zinc/31/98/87/1032319887.db2.gz LPSWWAVXNKRSIQ-UKRRQHHQSA-N 1 2 357.483 2.503 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2csc(-c3ncccn3)n2)C[C@H]1C ZINC001206509432 1032319895 /nfs/dbraw/zinc/31/98/95/1032319895.db2.gz LPSWWAVXNKRSIQ-UKRRQHHQSA-N 1 2 357.483 2.503 20 30 FFEDLO C=CCCC[C@@H](C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1)c1ccccc1 ZINC001177740500 1008730492 /nfs/dbraw/zinc/73/04/92/1008730492.db2.gz PRJDTLBBFDZZSG-HXUWFJFHSA-N 1 2 371.525 2.749 20 30 FFEDLO C=CCCC[C@@H](C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1)c1ccccc1 ZINC001177740500 1008730501 /nfs/dbraw/zinc/73/05/01/1008730501.db2.gz PRJDTLBBFDZZSG-HXUWFJFHSA-N 1 2 371.525 2.749 20 30 FFEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2cc(C)nn2-c2ccccc2F)CC1 ZINC000886774523 1008874691 /nfs/dbraw/zinc/87/46/91/1008874691.db2.gz PJCNHBGSRAIGQG-UHFFFAOYSA-N 1 2 372.444 2.661 20 30 FFEDLO O=C(C#Cc1ccc(F)cc1F)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001178570255 1009045267 /nfs/dbraw/zinc/04/52/67/1009045267.db2.gz UKLBEUFSIPOSKY-UHFFFAOYSA-N 1 2 370.399 2.540 20 30 FFEDLO Cc1cc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001095375722 1009072909 /nfs/dbraw/zinc/07/29/09/1009072909.db2.gz YHYVBXWLIOTRRB-QYZOEREBSA-N 1 2 351.425 2.849 20 30 FFEDLO Cc1cc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001095375722 1009072920 /nfs/dbraw/zinc/07/29/20/1009072920.db2.gz YHYVBXWLIOTRRB-QYZOEREBSA-N 1 2 351.425 2.849 20 30 FFEDLO N#Cc1ccc(F)c(F)c1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001178993353 1009219900 /nfs/dbraw/zinc/21/99/00/1009219900.db2.gz JHABWFCOLHIABB-MRXNPFEDSA-N 1 2 357.360 2.676 20 30 FFEDLO N#Cc1ccc(F)c(F)c1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001178993353 1009219917 /nfs/dbraw/zinc/21/99/17/1009219917.db2.gz JHABWFCOLHIABB-MRXNPFEDSA-N 1 2 357.360 2.676 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1)OCC ZINC001092888375 1009346119 /nfs/dbraw/zinc/34/61/19/1009346119.db2.gz ZBQWTGSYNFYDDB-YDZRNGNQSA-N 1 2 372.513 2.945 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001092982245 1009507753 /nfs/dbraw/zinc/50/77/53/1009507753.db2.gz XMNZWCCNQWSLEF-GBOPCIDUSA-N 1 2 369.918 2.572 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001092982245 1009507762 /nfs/dbraw/zinc/50/77/62/1009507762.db2.gz XMNZWCCNQWSLEF-GBOPCIDUSA-N 1 2 369.918 2.572 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1C#N)n1cc[nH+]c1 ZINC001093053391 1009686288 /nfs/dbraw/zinc/68/62/88/1009686288.db2.gz XNPPQFPYOXXAHL-PHNROFDPSA-N 1 2 367.428 2.771 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3ccc(CC#N)cc3)C2)cc1 ZINC000826598011 1009746037 /nfs/dbraw/zinc/74/60/37/1009746037.db2.gz OOQVMETUJGLGBX-NRFANRHFSA-N 1 2 363.461 2.692 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)c3ccc(CC#N)cc3)C2)cc1 ZINC000826598011 1009746048 /nfs/dbraw/zinc/74/60/48/1009746048.db2.gz OOQVMETUJGLGBX-NRFANRHFSA-N 1 2 363.461 2.692 20 30 FFEDLO CCCC[C@@H](CNc1nc(C)ccc1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001114326615 1010108704 /nfs/dbraw/zinc/10/87/04/1010108704.db2.gz AEKXVEMPTITQHF-GVDBMIGSSA-N 1 2 366.469 2.875 20 30 FFEDLO CCCC[C@@H](CNc1nc(C)ccc1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001114326615 1010108707 /nfs/dbraw/zinc/10/87/07/1010108707.db2.gz AEKXVEMPTITQHF-GVDBMIGSSA-N 1 2 366.469 2.875 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(=O)C1CCCCC1)C2 ZINC001110142386 1010164460 /nfs/dbraw/zinc/16/44/60/1010164460.db2.gz ZRXBXKJHTGKEET-ORQFMDKSSA-N 1 2 367.921 2.545 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(=O)C1CCCCC1)C2 ZINC001110142386 1010164469 /nfs/dbraw/zinc/16/44/69/1010164469.db2.gz ZRXBXKJHTGKEET-ORQFMDKSSA-N 1 2 367.921 2.545 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(Nc2cc[nH+]c(C)n2)CCCCC1 ZINC001093412113 1010243552 /nfs/dbraw/zinc/24/35/52/1010243552.db2.gz OYHHFXXNKNPLKW-SJORKVTESA-N 1 2 358.486 2.997 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nnc(CC(C)C)o2)C[C@H]1C ZINC001206886788 1032481233 /nfs/dbraw/zinc/48/12/33/1032481233.db2.gz IEZYAVYYIOABCQ-BRWVUGGUSA-N 1 2 360.502 2.959 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nnc(CC(C)C)o2)C[C@H]1C ZINC001206886788 1032481238 /nfs/dbraw/zinc/48/12/38/1032481238.db2.gz IEZYAVYYIOABCQ-BRWVUGGUSA-N 1 2 360.502 2.959 20 30 FFEDLO COc1ccc(C[C@H]2CCC[N@H+](Cn3nc(CC#N)n(C)c3=S)C2)cc1 ZINC000794635094 1010448354 /nfs/dbraw/zinc/44/83/54/1010448354.db2.gz UPWRRQAOQXXJDW-MRXNPFEDSA-N 1 2 371.510 2.938 20 30 FFEDLO COc1ccc(C[C@H]2CCC[N@@H+](Cn3nc(CC#N)n(C)c3=S)C2)cc1 ZINC000794635094 1010448360 /nfs/dbraw/zinc/44/83/60/1010448360.db2.gz UPWRRQAOQXXJDW-MRXNPFEDSA-N 1 2 371.510 2.938 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2F)C[C@H]1C ZINC001206916109 1032497650 /nfs/dbraw/zinc/49/76/50/1032497650.db2.gz WAXPCNYXQVATQK-NJAPINKUSA-N 1 2 354.853 2.743 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cc(Cl)ccc2F)C[C@H]1C ZINC001206916109 1032497654 /nfs/dbraw/zinc/49/76/54/1032497654.db2.gz WAXPCNYXQVATQK-NJAPINKUSA-N 1 2 354.853 2.743 20 30 FFEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=S)Nc2ccccc2C#N)CC1 ZINC000865263297 1010754058 /nfs/dbraw/zinc/75/40/58/1010754058.db2.gz FXRPJIGCORGKMZ-UHFFFAOYSA-N 1 2 374.510 2.651 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(C(C)C)c2)C[C@H]1C ZINC001206939448 1032513442 /nfs/dbraw/zinc/51/34/42/1032513442.db2.gz FOWNHSSSQZPHPX-YLJYHZDGSA-N 1 2 369.509 2.844 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C(C)C)c2)C[C@H]1C ZINC001206939448 1032513448 /nfs/dbraw/zinc/51/34/48/1032513448.db2.gz FOWNHSSSQZPHPX-YLJYHZDGSA-N 1 2 369.509 2.844 20 30 FFEDLO N#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000120982875 1010964690 /nfs/dbraw/zinc/96/46/90/1010964690.db2.gz PHTACELEPLJWRY-AWEZNQCLSA-N 1 2 355.373 2.523 20 30 FFEDLO CN(CCc1cccc(C#N)c1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000868022712 1011147716 /nfs/dbraw/zinc/14/77/16/1011147716.db2.gz CNZYFJTWAOLSKA-UHFFFAOYSA-N 1 2 363.465 2.938 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOc1cccc(OC)c1)C2 ZINC001110157994 1011155836 /nfs/dbraw/zinc/15/58/36/1011155836.db2.gz DARDQWOTTXOCQM-JLSDUUJJSA-N 1 2 364.873 2.938 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOc1cccc(OC)c1)C2 ZINC001110157994 1011155840 /nfs/dbraw/zinc/15/58/40/1011155840.db2.gz DARDQWOTTXOCQM-JLSDUUJJSA-N 1 2 364.873 2.938 20 30 FFEDLO C#CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1)C(=O)OC ZINC001171593023 1011377245 /nfs/dbraw/zinc/37/72/45/1011377245.db2.gz IANBONAGIRNNKQ-HRCADAONSA-N 1 2 366.502 2.955 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NCC(C)(C)CCC#N)C2)c1 ZINC000868614250 1011388074 /nfs/dbraw/zinc/38/80/74/1011388074.db2.gz XJDAXMQPNQAZIT-LJQANCHMSA-N 1 2 372.513 2.825 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NCC(C)(C)CCC#N)C2)c1 ZINC000868614250 1011388089 /nfs/dbraw/zinc/38/80/89/1011388089.db2.gz XJDAXMQPNQAZIT-LJQANCHMSA-N 1 2 372.513 2.825 20 30 FFEDLO Cc1ncsc1C[NH+]1CC2(CN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 ZINC001274583820 1011525398 /nfs/dbraw/zinc/52/53/98/1011525398.db2.gz IQADCXIKKRJBOG-UHFFFAOYSA-N 1 2 371.893 2.801 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCC[C@H](CC#N)C3)C2)c1 ZINC000869098117 1011607618 /nfs/dbraw/zinc/60/76/18/1011607618.db2.gz RYTBRUXEGPGSPA-QUCCMNQESA-N 1 2 370.497 2.531 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCC[C@H](CC#N)C3)C2)c1 ZINC000869098117 1011607627 /nfs/dbraw/zinc/60/76/27/1011607627.db2.gz RYTBRUXEGPGSPA-QUCCMNQESA-N 1 2 370.497 2.531 20 30 FFEDLO N#Cc1cc(CC(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)ccc1F ZINC001274938018 1011765183 /nfs/dbraw/zinc/76/51/83/1011765183.db2.gz KTRGKRAIOURCBD-UHFFFAOYSA-N 1 2 369.362 2.869 20 30 FFEDLO N#Cc1cc(CC(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)ccc1F ZINC001274938018 1011765192 /nfs/dbraw/zinc/76/51/92/1011765192.db2.gz KTRGKRAIOURCBD-UHFFFAOYSA-N 1 2 369.362 2.869 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@H](C)CCO[C@@H](C)CC ZINC001172331722 1011767383 /nfs/dbraw/zinc/76/73/83/1011767383.db2.gz RJLNIUJARRDCBU-SOLBZPMBSA-N 1 2 350.507 2.994 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@H](C)CCO[C@@H](C)CC ZINC001172331722 1011767393 /nfs/dbraw/zinc/76/73/93/1011767393.db2.gz RJLNIUJARRDCBU-SOLBZPMBSA-N 1 2 350.507 2.994 20 30 FFEDLO N#CC1([NH2+][C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CCOCC1 ZINC001172519396 1011861348 /nfs/dbraw/zinc/86/13/48/1011861348.db2.gz AYNGJQWJIKHYHT-UFYCRDLUSA-N 1 2 367.493 2.980 20 30 FFEDLO C#CC[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)no2)C1)c1ccccc1 ZINC001217081929 1032606120 /nfs/dbraw/zinc/60/61/20/1032606120.db2.gz QLBLYHYJQCKLON-ATZDWAIDSA-N 1 2 366.465 2.512 20 30 FFEDLO COc1cccc(C[NH+]2CCN(C(=O)Cc3ccccc3CC#N)CC2)c1 ZINC000870157935 1012221857 /nfs/dbraw/zinc/22/18/57/1012221857.db2.gz ULADTECUGVGSBG-UHFFFAOYSA-N 1 2 363.461 2.648 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnc3ccc(C)cc31)C2 ZINC001095911013 1012422350 /nfs/dbraw/zinc/42/23/50/1012422350.db2.gz ILLOHWSZEHKDKL-PVAVHDDUSA-N 1 2 358.873 2.819 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnc3ccc(C)cc31)C2 ZINC001095911013 1012422361 /nfs/dbraw/zinc/42/23/61/1012422361.db2.gz ILLOHWSZEHKDKL-PVAVHDDUSA-N 1 2 358.873 2.819 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c[nH]nc1C(F)(F)F ZINC001275438775 1012464807 /nfs/dbraw/zinc/46/48/07/1012464807.db2.gz YGDHWWBVWOHBPJ-INIZCTEOSA-N 1 2 356.392 2.962 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c[nH]nc1C(F)(F)F ZINC001275438775 1012464816 /nfs/dbraw/zinc/46/48/16/1012464816.db2.gz YGDHWWBVWOHBPJ-INIZCTEOSA-N 1 2 356.392 2.962 20 30 FFEDLO Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)n1C ZINC001095167096 1012588875 /nfs/dbraw/zinc/58/88/75/1012588875.db2.gz CANQUQOVSOVTFF-NEWSRXKRSA-N 1 2 366.440 2.880 20 30 FFEDLO Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)n1C ZINC001095167096 1012588881 /nfs/dbraw/zinc/58/88/81/1012588881.db2.gz CANQUQOVSOVTFF-NEWSRXKRSA-N 1 2 366.440 2.880 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+](Cc3n[nH]cc3Br)CC2)C1=O ZINC001275620352 1012714857 /nfs/dbraw/zinc/71/48/57/1012714857.db2.gz VIMQUIFXHNNXMC-MRXNPFEDSA-N 1 2 367.291 2.563 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+](Cc3n[nH]cc3Br)CC2)C1=O ZINC001275620352 1012714869 /nfs/dbraw/zinc/71/48/69/1012714869.db2.gz VIMQUIFXHNNXMC-MRXNPFEDSA-N 1 2 367.291 2.563 20 30 FFEDLO N#CC1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCOCC1 ZINC001308978854 1013001559 /nfs/dbraw/zinc/00/15/59/1013001559.db2.gz ZPKHPUUWAJZPOC-UHFFFAOYSA-N 1 2 360.233 2.829 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CNc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001057543888 1017120093 /nfs/dbraw/zinc/12/00/93/1017120093.db2.gz COIQDTOZRYZBJJ-MSOLQXFVSA-N 1 2 370.497 2.904 20 30 FFEDLO N#Cc1c(F)cccc1NCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001057550483 1017126179 /nfs/dbraw/zinc/12/61/79/1017126179.db2.gz RIICRKCXWSIHAS-HUUCEWRRSA-N 1 2 367.428 2.875 20 30 FFEDLO N#Cc1c(F)cccc1NCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001057550483 1017126182 /nfs/dbraw/zinc/12/61/82/1017126182.db2.gz RIICRKCXWSIHAS-HUUCEWRRSA-N 1 2 367.428 2.875 20 30 FFEDLO Cc1nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc4c[nH+]ccc4[nH]2)C3)ccc1C#N ZINC001055249279 1017214410 /nfs/dbraw/zinc/21/44/10/1017214410.db2.gz WLORQUIVQRXKGP-AYBZRNKSSA-N 1 2 372.432 2.678 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncc(F)cc1F)C2 ZINC001097346037 1017378914 /nfs/dbraw/zinc/37/89/14/1017378914.db2.gz YGFAWHYZUIJGFZ-NXHRZFHOSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncc(F)cc1F)C2 ZINC001097346037 1017378927 /nfs/dbraw/zinc/37/89/27/1017378927.db2.gz YGFAWHYZUIJGFZ-NXHRZFHOSA-N 1 2 368.387 2.767 20 30 FFEDLO COc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)ccn1 ZINC001097404477 1017433857 /nfs/dbraw/zinc/43/38/57/1017433857.db2.gz VPXXRTMXCCFIMQ-XYPHTWIQSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)ccn1 ZINC001097404477 1017433866 /nfs/dbraw/zinc/43/38/66/1017433866.db2.gz VPXXRTMXCCFIMQ-XYPHTWIQSA-N 1 2 368.462 2.559 20 30 FFEDLO CC[C@H]([NH2+]Cc1ccc(OCCO)c(OC)c1)c1cccc(C#N)c1O ZINC000924727012 1017451620 /nfs/dbraw/zinc/45/16/20/1017451620.db2.gz CHYCDIDGIZTWRH-KRWDZBQOSA-N 1 2 356.422 2.884 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)cs1 ZINC001097709731 1017828593 /nfs/dbraw/zinc/82/85/93/1017828593.db2.gz GASAGQARQXYBIV-KYJSFNMBSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)cs1 ZINC001097709731 1017828608 /nfs/dbraw/zinc/82/86/08/1017828608.db2.gz GASAGQARQXYBIV-KYJSFNMBSA-N 1 2 370.453 2.998 20 30 FFEDLO COc1cc(C(=O)/C=C/c2c[nH+]c3cccc(C)n23)ccc1S(C)(=O)=O ZINC000748999442 1017930631 /nfs/dbraw/zinc/93/06/31/1017930631.db2.gz XYLHGZAOSZIQHO-CMDGGOBGSA-N 1 2 370.430 2.951 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C[C@H]21 ZINC001222068610 1032731764 /nfs/dbraw/zinc/73/17/64/1032731764.db2.gz ATOYPUHBVRLGSW-DDUZABMNSA-N 1 2 350.409 2.589 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C[C@H]21 ZINC001222068610 1032731774 /nfs/dbraw/zinc/73/17/74/1032731774.db2.gz ATOYPUHBVRLGSW-DDUZABMNSA-N 1 2 350.409 2.589 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)nc3n[nH]c(C)c31)C2 ZINC001098036048 1018007271 /nfs/dbraw/zinc/00/72/71/1018007271.db2.gz OCHWWHUIJYDNHX-YUELXQCFSA-N 1 2 359.861 2.662 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)nc3n[nH]c(C)c31)C2 ZINC001098036048 1018007285 /nfs/dbraw/zinc/00/72/85/1018007285.db2.gz OCHWWHUIJYDNHX-YUELXQCFSA-N 1 2 359.861 2.662 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1Nc1ccc(C#N)cn1 ZINC001052722456 1018058924 /nfs/dbraw/zinc/05/89/24/1018058924.db2.gz HDEFASADVRMFIX-HZPDHXFCSA-N 1 2 366.469 2.529 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)[nH]1 ZINC001097867556 1018068398 /nfs/dbraw/zinc/06/83/98/1018068398.db2.gz ADPAIJPVBUGPIE-NXHRZFHOSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)[nH]1 ZINC001097867556 1018068406 /nfs/dbraw/zinc/06/84/06/1018068406.db2.gz ADPAIJPVBUGPIE-NXHRZFHOSA-N 1 2 367.428 2.573 20 30 FFEDLO CC[C@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1cccc(C#N)c1O ZINC000926568952 1018163104 /nfs/dbraw/zinc/16/31/04/1018163104.db2.gz DWJIGQHTKFAYKD-IRXDYDNUSA-N 1 2 360.454 2.720 20 30 FFEDLO CC[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1cccc(C#N)c1O ZINC000926625898 1018185570 /nfs/dbraw/zinc/18/55/70/1018185570.db2.gz FBLDWBMWBMKQAR-HOCLYGCPSA-N 1 2 372.446 2.539 20 30 FFEDLO C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1CCNc1ncccc1C#N ZINC001053405159 1018286983 /nfs/dbraw/zinc/28/69/83/1018286983.db2.gz HDDOPRZXIDTXEL-GDBMZVCRSA-N 1 2 366.469 2.551 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CCNc2[nH+]cnc3c2cnn3C)C1 ZINC001053505020 1018339267 /nfs/dbraw/zinc/33/92/67/1018339267.db2.gz SWJYQXXBAYRWED-SXGZJXTBSA-N 1 2 370.501 2.862 20 30 FFEDLO C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CCNc2ccc(C#N)cn2)C1)n1cc[nH+]c1 ZINC001053533615 1018354275 /nfs/dbraw/zinc/35/42/75/1018354275.db2.gz HJVIIFJROIEOEQ-SOLBZPMBSA-N 1 2 366.469 2.698 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCCCC1 ZINC001110928831 1018647977 /nfs/dbraw/zinc/64/79/77/1018647977.db2.gz HGMBXYIUXDJHJG-AQNXPRMDSA-N 1 2 373.541 2.598 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCCCC1 ZINC001110928831 1018647981 /nfs/dbraw/zinc/64/79/81/1018647981.db2.gz HGMBXYIUXDJHJG-AQNXPRMDSA-N 1 2 373.541 2.598 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCCC1 ZINC001110929202 1018652211 /nfs/dbraw/zinc/65/22/11/1018652211.db2.gz XHCWIUMIPIWPBI-AQNXPRMDSA-N 1 2 373.541 2.741 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCCC1 ZINC001110929202 1018652215 /nfs/dbraw/zinc/65/22/15/1018652215.db2.gz XHCWIUMIPIWPBI-AQNXPRMDSA-N 1 2 373.541 2.741 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](Cc2ccc(C)c(OC)c2)C1 ZINC001042742366 1019132330 /nfs/dbraw/zinc/13/23/30/1019132330.db2.gz NQCVNAXLVJHXQT-MOPGFXCFSA-N 1 2 358.482 2.627 20 30 FFEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)CCOCC1 ZINC001096179450 1019138800 /nfs/dbraw/zinc/13/88/00/1019138800.db2.gz BDTBZVMOHLIFTM-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)CCOCC1 ZINC001096179450 1019138808 /nfs/dbraw/zinc/13/88/08/1019138808.db2.gz BDTBZVMOHLIFTM-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO C#CCOc1ccc(C(=O)NC[C@H]2CC[C@@H](Nc3cc[nH+]c(C)n3)C2)cc1 ZINC001047547309 1019369787 /nfs/dbraw/zinc/36/97/87/1019369787.db2.gz QQYGYQDVKUAGIA-FUHWJXTLSA-N 1 2 364.449 2.808 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCc2ccccc21 ZINC001110966929 1019382439 /nfs/dbraw/zinc/38/24/39/1019382439.db2.gz LAFPAGIESCDCRM-GGPKGHCWSA-N 1 2 367.493 2.654 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCc2ccccc21 ZINC001110966929 1019382454 /nfs/dbraw/zinc/38/24/54/1019382454.db2.gz LAFPAGIESCDCRM-GGPKGHCWSA-N 1 2 367.493 2.654 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1F ZINC001110967193 1019386639 /nfs/dbraw/zinc/38/66/39/1019386639.db2.gz XESOQFSEYQMBHV-QRQLOZEOSA-N 1 2 373.472 2.520 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1F ZINC001110967193 1019386656 /nfs/dbraw/zinc/38/66/56/1019386656.db2.gz XESOQFSEYQMBHV-QRQLOZEOSA-N 1 2 373.472 2.520 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)o1 ZINC001096231187 1019497404 /nfs/dbraw/zinc/49/74/04/1019497404.db2.gz MSWVCQWKPYBEQY-UGFHNGPFSA-N 1 2 357.435 2.757 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)o1 ZINC001096231187 1019497407 /nfs/dbraw/zinc/49/74/07/1019497407.db2.gz MSWVCQWKPYBEQY-UGFHNGPFSA-N 1 2 357.435 2.757 20 30 FFEDLO Cc1nsc(N[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C)c1C#N ZINC001043606826 1019536645 /nfs/dbraw/zinc/53/66/45/1019536645.db2.gz OGQDXMBLYKBGPW-QLJPJBMISA-N 1 2 366.450 2.772 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CCCCC2)C1 ZINC001095982677 1019694093 /nfs/dbraw/zinc/69/40/93/1019694093.db2.gz IAEJEUNCQLOJOM-SQNIBIBYSA-N 1 2 359.514 2.513 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CCCCC2)C1 ZINC001095982677 1019694096 /nfs/dbraw/zinc/69/40/96/1019694096.db2.gz IAEJEUNCQLOJOM-SQNIBIBYSA-N 1 2 359.514 2.513 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc3ccccc3o2)c1 ZINC001095987991 1019698584 /nfs/dbraw/zinc/69/85/84/1019698584.db2.gz PVTKPPYMTMLSDX-NEWSRXKRSA-N 1 2 372.428 2.739 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc3ccccc3o2)c1 ZINC001095987991 1019698594 /nfs/dbraw/zinc/69/85/94/1019698594.db2.gz PVTKPPYMTMLSDX-NEWSRXKRSA-N 1 2 372.428 2.739 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cc(C(F)F)n[nH]1 ZINC001095993656 1019720912 /nfs/dbraw/zinc/72/09/12/1019720912.db2.gz MXUJCWQFABQMAN-VKJFTORMSA-N 1 2 370.403 2.734 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cc(C(F)F)n[nH]1 ZINC001095993656 1019720929 /nfs/dbraw/zinc/72/09/29/1019720929.db2.gz MXUJCWQFABQMAN-VKJFTORMSA-N 1 2 370.403 2.734 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000929927806 1019745974 /nfs/dbraw/zinc/74/59/74/1019745974.db2.gz WFDSAEYXMZHNQZ-HNNXBMFYSA-N 1 2 360.458 2.530 20 30 FFEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc3cc(C)ccc3s2)[C@@H](n2ccnn2)C1 ZINC001070067960 1019776859 /nfs/dbraw/zinc/77/68/59/1019776859.db2.gz YVIBEBSQMQXJKX-CVEARBPZSA-N 1 2 367.478 2.643 20 30 FFEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc3cc(C)ccc3s2)[C@@H](n2ccnn2)C1 ZINC001070067960 1019776875 /nfs/dbraw/zinc/77/68/75/1019776875.db2.gz YVIBEBSQMQXJKX-CVEARBPZSA-N 1 2 367.478 2.643 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)o1 ZINC001096289885 1019929407 /nfs/dbraw/zinc/92/94/07/1019929407.db2.gz WDRKVLMQUVHUJM-SQNIBIBYSA-N 1 2 364.449 2.952 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)o1 ZINC001096289885 1019929417 /nfs/dbraw/zinc/92/94/17/1019929417.db2.gz WDRKVLMQUVHUJM-SQNIBIBYSA-N 1 2 364.449 2.952 20 30 FFEDLO Cc1cn2c(nc(C[NH+]3CCC(C#N)(c4ccccn4)CC3)cc2=O)s1 ZINC000930334331 1019983655 /nfs/dbraw/zinc/98/36/55/1019983655.db2.gz XMVLDWWJUSYSMB-UHFFFAOYSA-N 1 2 365.462 2.517 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CCCC2)CCC1 ZINC001110986952 1019997229 /nfs/dbraw/zinc/99/72/29/1019997229.db2.gz BWRIOTRFSVALLH-KURKYZTESA-N 1 2 359.514 2.513 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CCCC2)CCC1 ZINC001110986952 1019997238 /nfs/dbraw/zinc/99/72/38/1019997238.db2.gz BWRIOTRFSVALLH-KURKYZTESA-N 1 2 359.514 2.513 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nccn3c1)C2 ZINC001096314725 1020042068 /nfs/dbraw/zinc/04/20/68/1020042068.db2.gz QVZPAVQOQIUHCS-AABGKKOBSA-N 1 2 371.444 2.741 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nccn3c1)C2 ZINC001096314725 1020042078 /nfs/dbraw/zinc/04/20/78/1020042078.db2.gz QVZPAVQOQIUHCS-AABGKKOBSA-N 1 2 371.444 2.741 20 30 FFEDLO C[C@@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)Cc2ccccc21 ZINC000725765296 1020254009 /nfs/dbraw/zinc/25/40/09/1020254009.db2.gz LXSBBTMZVLRWDD-QRQCRPRQSA-N 1 2 374.444 2.902 20 30 FFEDLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)Cc2ccccc21 ZINC000725765296 1020254017 /nfs/dbraw/zinc/25/40/17/1020254017.db2.gz LXSBBTMZVLRWDD-QRQCRPRQSA-N 1 2 374.444 2.902 20 30 FFEDLO O=C1C[C@@H](c2cccc(Cl)c2)CN1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902600231 1020330782 /nfs/dbraw/zinc/33/07/82/1020330782.db2.gz TTYDLQYDRNQDLL-MRXNPFEDSA-N 1 2 374.868 2.951 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001048616442 1020361891 /nfs/dbraw/zinc/36/18/91/1020361891.db2.gz HZACWKBHQSWULT-DOTOQJQBSA-N 1 2 364.453 2.650 20 30 FFEDLO C=CC1(CC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000931227220 1020383503 /nfs/dbraw/zinc/38/35/03/1020383503.db2.gz ZZUIDFIIRVNIFS-UHFFFAOYSA-N 1 2 374.485 2.929 20 30 FFEDLO C#Cc1cccc(NC(=S)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000726448449 1020466115 /nfs/dbraw/zinc/46/61/15/1020466115.db2.gz ZAVTVDQOFXSPCR-HXUWFJFHSA-N 1 2 365.502 2.855 20 30 FFEDLO C#Cc1cccc(NC(=S)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000726448449 1020466121 /nfs/dbraw/zinc/46/61/21/1020466121.db2.gz ZAVTVDQOFXSPCR-HXUWFJFHSA-N 1 2 365.502 2.855 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC=C)CC1 ZINC000800773282 1020539365 /nfs/dbraw/zinc/53/93/65/1020539365.db2.gz DDEWMNYEZHJLIK-UHFFFAOYSA-N 1 2 371.872 2.548 20 30 FFEDLO CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)cn1 ZINC001096089889 1020581158 /nfs/dbraw/zinc/58/11/58/1020581158.db2.gz UPHSVGOADDKBSH-JLSDUUJJSA-N 1 2 369.494 2.762 20 30 FFEDLO CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)cn1 ZINC001096089889 1020581165 /nfs/dbraw/zinc/58/11/65/1020581165.db2.gz UPHSVGOADDKBSH-JLSDUUJJSA-N 1 2 369.494 2.762 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001046318552 1020583286 /nfs/dbraw/zinc/58/32/86/1020583286.db2.gz COHDXJFZOBUZIM-GQIGUUNPSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001046318552 1020583276 /nfs/dbraw/zinc/58/32/76/1020583276.db2.gz COHDXJFZOBUZIM-GQIGUUNPSA-N 1 2 359.470 2.614 20 30 FFEDLO C=CCCCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC001073479605 1020589634 /nfs/dbraw/zinc/58/96/34/1020589634.db2.gz QLSLJUNLNPKYGI-INMHGKMJSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCCCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC001073479605 1020589640 /nfs/dbraw/zinc/58/96/40/1020589640.db2.gz QLSLJUNLNPKYGI-INMHGKMJSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001490917360 1020597420 /nfs/dbraw/zinc/59/74/20/1020597420.db2.gz YUBNSPUXYHTTJO-KKSFZXQISA-N 1 2 366.465 2.802 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nc(C)cs1 ZINC001074067845 1020632496 /nfs/dbraw/zinc/63/24/96/1020632496.db2.gz VJJWYHXQOWKQPM-ZACQAIPSSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nc(C)cs1 ZINC001074067845 1020632499 /nfs/dbraw/zinc/63/24/99/1020632499.db2.gz VJJWYHXQOWKQPM-ZACQAIPSSA-N 1 2 363.527 2.856 20 30 FFEDLO Cc1nc([C@@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)no1 ZINC000931948851 1020641205 /nfs/dbraw/zinc/64/12/05/1020641205.db2.gz LCVZTZOSEVKDLR-NVXWUHKLSA-N 1 2 367.453 2.811 20 30 FFEDLO Cc1nc([C@@H]2CC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)no1 ZINC000931948851 1020641208 /nfs/dbraw/zinc/64/12/08/1020641208.db2.gz LCVZTZOSEVKDLR-NVXWUHKLSA-N 1 2 367.453 2.811 20 30 FFEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C3(C#N)CCSCC3)CC2)c1 ZINC000931966650 1020650508 /nfs/dbraw/zinc/65/05/08/1020650508.db2.gz SFANZAAKFGSYGT-INIZCTEOSA-N 1 2 373.522 2.937 20 30 FFEDLO CC(C)n1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)cn1 ZINC001098199364 1020725265 /nfs/dbraw/zinc/72/52/65/1020725265.db2.gz VPDQXTYINFTAGB-NJYVYQBISA-N 1 2 362.477 2.851 20 30 FFEDLO CC(C)n1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)cn1 ZINC001098199364 1020725273 /nfs/dbraw/zinc/72/52/73/1020725273.db2.gz VPDQXTYINFTAGB-NJYVYQBISA-N 1 2 362.477 2.851 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)nc1 ZINC001098246502 1020759950 /nfs/dbraw/zinc/75/99/50/1020759950.db2.gz GEHQGTMIVRDNJG-UIFIKXQLSA-N 1 2 374.419 2.609 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)nc1 ZINC001098246502 1020759959 /nfs/dbraw/zinc/75/99/59/1020759959.db2.gz GEHQGTMIVRDNJG-UIFIKXQLSA-N 1 2 374.419 2.609 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1Cc3cccnc3C1)C2 ZINC001098284128 1020792486 /nfs/dbraw/zinc/79/24/86/1020792486.db2.gz UIDGDRUXSAWJGK-PSBKLILYSA-N 1 2 372.472 2.590 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1Cc3cccnc3C1)C2 ZINC001098284128 1020792492 /nfs/dbraw/zinc/79/24/92/1020792492.db2.gz UIDGDRUXSAWJGK-PSBKLILYSA-N 1 2 372.472 2.590 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001098286548 1020794642 /nfs/dbraw/zinc/79/46/42/1020794642.db2.gz JIVNRGTVKXKGFS-QRVBRYPASA-N 1 2 365.502 2.897 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001098286548 1020794650 /nfs/dbraw/zinc/79/46/50/1020794650.db2.gz JIVNRGTVKXKGFS-QRVBRYPASA-N 1 2 365.502 2.897 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn3ccccc3n1)C2 ZINC001098326721 1020828126 /nfs/dbraw/zinc/82/81/26/1020828126.db2.gz JRMHTYWRVFBILU-GGPKGHCWSA-N 1 2 371.444 2.741 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn3ccccc3n1)C2 ZINC001098326721 1020828132 /nfs/dbraw/zinc/82/81/32/1020828132.db2.gz JRMHTYWRVFBILU-GGPKGHCWSA-N 1 2 371.444 2.741 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(C)OCCc3ccccc31)C2 ZINC001098486755 1020958923 /nfs/dbraw/zinc/95/89/23/1020958923.db2.gz UJCLCQHJJVNBTI-PHXBYCTMSA-N 1 2 360.885 2.949 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(C)OCCc3ccccc31)C2 ZINC001098486755 1020958930 /nfs/dbraw/zinc/95/89/30/1020958930.db2.gz UJCLCQHJJVNBTI-PHXBYCTMSA-N 1 2 360.885 2.949 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC13CCOCC3)C2 ZINC001098525152 1020983074 /nfs/dbraw/zinc/98/30/74/1020983074.db2.gz FHGYYZHIXPXSRC-WTGUMLROSA-N 1 2 365.477 2.596 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC13CCOCC3)C2 ZINC001098525152 1020983080 /nfs/dbraw/zinc/98/30/80/1020983080.db2.gz FHGYYZHIXPXSRC-WTGUMLROSA-N 1 2 365.477 2.596 20 30 FFEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)nc1-c1ccccn1 ZINC000749795970 1021036377 /nfs/dbraw/zinc/03/63/77/1021036377.db2.gz DSTRPNLKBPIKMM-CVEARBPZSA-N 1 2 371.510 2.978 20 30 FFEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)nc1-c1ccccn1 ZINC000749795970 1021036381 /nfs/dbraw/zinc/03/63/81/1021036381.db2.gz DSTRPNLKBPIKMM-CVEARBPZSA-N 1 2 371.510 2.978 20 30 FFEDLO C=CCn1cc2ccc(NC(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)cc2n1 ZINC000933688273 1021069497 /nfs/dbraw/zinc/06/94/97/1021069497.db2.gz YYPQOMLYDIZIJH-GOSISDBHSA-N 1 2 369.469 2.551 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)c3cncs3)C2)c1 ZINC001098748303 1021106330 /nfs/dbraw/zinc/10/63/30/1021106330.db2.gz TWFAIGXOWOJVER-KXBFYZLASA-N 1 2 370.453 2.938 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)c3cncs3)C2)c1 ZINC001098748303 1021106332 /nfs/dbraw/zinc/10/63/32/1021106332.db2.gz TWFAIGXOWOJVER-KXBFYZLASA-N 1 2 370.453 2.938 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2n[nH]c(C)c2C)C1 ZINC001098763922 1021122072 /nfs/dbraw/zinc/12/20/72/1021122072.db2.gz ROBOFUPWPDKNAY-BBRMVZONSA-N 1 2 367.291 2.519 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2n[nH]c(C)c2C)C1 ZINC001098763922 1021122077 /nfs/dbraw/zinc/12/20/77/1021122077.db2.gz ROBOFUPWPDKNAY-BBRMVZONSA-N 1 2 367.291 2.519 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C3)[nH]1 ZINC001098794526 1021153123 /nfs/dbraw/zinc/15/31/23/1021153123.db2.gz PLJSLVIKWSMQHL-BACMDOBKSA-N 1 2 353.253 2.790 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](C/C(Cl)=C/Cl)C3)[nH]1 ZINC001098794526 1021153125 /nfs/dbraw/zinc/15/31/25/1021153125.db2.gz PLJSLVIKWSMQHL-BACMDOBKSA-N 1 2 353.253 2.790 20 30 FFEDLO C=CC[C@@H]1CC[N@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000934470746 1021251401 /nfs/dbraw/zinc/25/14/01/1021251401.db2.gz QMYIOXUNMBGABQ-DOMZBBRYSA-N 1 2 367.371 2.943 20 30 FFEDLO C=CC[C@@H]1CC[N@@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000934470746 1021251411 /nfs/dbraw/zinc/25/14/11/1021251411.db2.gz QMYIOXUNMBGABQ-DOMZBBRYSA-N 1 2 367.371 2.943 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(C(C)(C)C)o3)[C@H]2C1 ZINC001222432299 1032968135 /nfs/dbraw/zinc/96/81/35/1032968135.db2.gz LDEPGJIDSXPCMQ-CVEARBPZSA-N 1 2 361.486 2.598 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(C(C)(C)C)o3)[C@H]2C1 ZINC001222432299 1032968152 /nfs/dbraw/zinc/96/81/52/1032968152.db2.gz LDEPGJIDSXPCMQ-CVEARBPZSA-N 1 2 361.486 2.598 20 30 FFEDLO N#Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC001116635161 1021323607 /nfs/dbraw/zinc/32/36/07/1021323607.db2.gz NLUUPQVYEGFXKR-UHFFFAOYSA-N 1 2 367.365 2.697 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2CC[N@@H+](Cc3csc(CCC)n3)[C@H]2C1 ZINC001222447932 1032977540 /nfs/dbraw/zinc/97/75/40/1032977540.db2.gz GFOGQDYIOZCIOV-WBVHZDCISA-N 1 2 363.527 2.721 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2CC[N@H+](Cc3csc(CCC)n3)[C@H]2C1 ZINC001222447932 1032977551 /nfs/dbraw/zinc/97/75/51/1032977551.db2.gz GFOGQDYIOZCIOV-WBVHZDCISA-N 1 2 363.527 2.721 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2csc(C)n2)C3)nc1 ZINC001099128817 1021878919 /nfs/dbraw/zinc/87/89/19/1021878919.db2.gz RBAMPMIHJVEBCX-JXFKEZNVSA-N 1 2 366.490 2.612 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2csc(C)n2)C3)nc1 ZINC001099128817 1021878933 /nfs/dbraw/zinc/87/89/33/1021878933.db2.gz RBAMPMIHJVEBCX-JXFKEZNVSA-N 1 2 366.490 2.612 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccco3)C2)c1 ZINC001015738036 1021958703 /nfs/dbraw/zinc/95/87/03/1021958703.db2.gz YWMTWWRFIKXOAQ-BRWVUGGUSA-N 1 2 353.397 2.785 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccco3)C2)c1 ZINC001015738036 1021958708 /nfs/dbraw/zinc/95/87/08/1021958708.db2.gz YWMTWWRFIKXOAQ-BRWVUGGUSA-N 1 2 353.397 2.785 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC(C)C)CCCC1)C2 ZINC001111158741 1022142117 /nfs/dbraw/zinc/14/21/17/1022142117.db2.gz BABIOVYKANWEJU-KURKYZTESA-N 1 2 361.530 2.617 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC(C)C)CCCC1)C2 ZINC001111158741 1022142120 /nfs/dbraw/zinc/14/21/20/1022142120.db2.gz BABIOVYKANWEJU-KURKYZTESA-N 1 2 361.530 2.617 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001099302333 1022259238 /nfs/dbraw/zinc/25/92/38/1022259238.db2.gz QKKGUJASCMDVPS-IIAWOOMASA-N 1 2 358.408 2.501 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2ccco2)cc1C#N ZINC001038731277 1022695552 /nfs/dbraw/zinc/69/55/52/1022695552.db2.gz HJWKANBLLJBQHM-KZNAEPCWSA-N 1 2 365.433 2.654 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2ccco2)cc1C#N ZINC001038731277 1022695557 /nfs/dbraw/zinc/69/55/57/1022695557.db2.gz HJWKANBLLJBQHM-KZNAEPCWSA-N 1 2 365.433 2.654 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3n[nH]cc3c1)C2 ZINC001095934058 1022743871 /nfs/dbraw/zinc/74/38/71/1022743871.db2.gz LCPWIYFAKBARCZ-GIVPXCGWSA-N 1 2 371.444 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3n[nH]cc3c1)C2 ZINC001095934058 1022743884 /nfs/dbraw/zinc/74/38/84/1022743884.db2.gz LCPWIYFAKBARCZ-GIVPXCGWSA-N 1 2 371.444 2.970 20 30 FFEDLO Cc1nsc(NC2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)c1C#N ZINC001067303845 1022782908 /nfs/dbraw/zinc/78/29/08/1022782908.db2.gz UWKLUKASICOINL-CHWSQXEVSA-N 1 2 370.482 2.643 20 30 FFEDLO Cc1nsc(NC2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)c1C#N ZINC001067303845 1022782920 /nfs/dbraw/zinc/78/29/20/1022782920.db2.gz UWKLUKASICOINL-CHWSQXEVSA-N 1 2 370.482 2.643 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H](C(C)(C)O)C1 ZINC001122536942 1023326409 /nfs/dbraw/zinc/32/64/09/1023326409.db2.gz OKRLXJNUMBPDHT-QGZVFWFLSA-N 1 2 361.534 2.827 20 30 FFEDLO Cc1nn(Cc2ccccc2)c(C)c1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753928669 1023400336 /nfs/dbraw/zinc/40/03/36/1023400336.db2.gz LYTJPEFTHVUWEM-OALUTQOASA-N 1 2 350.470 2.742 20 30 FFEDLO CC(C)Cn1c(CCCC#N)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001122797783 1023479793 /nfs/dbraw/zinc/47/97/93/1023479793.db2.gz SCGJMNCHFTVFRP-UHFFFAOYSA-N 1 2 367.501 2.804 20 30 FFEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@@H]3C[C@H]3Cc3ccccc3)CC2)C1 ZINC000949423884 1023532230 /nfs/dbraw/zinc/53/22/30/1023532230.db2.gz UZJQRJZSSALYNZ-RTWAWAEBSA-N 1 2 366.505 2.582 20 30 FFEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3C[C@H]3Cc3ccccc3)CC2)C1 ZINC000949423884 1023532239 /nfs/dbraw/zinc/53/22/39/1023532239.db2.gz UZJQRJZSSALYNZ-RTWAWAEBSA-N 1 2 366.505 2.582 20 30 FFEDLO C=CC1CCN(c2nnc(C[NH+]3CCCCC3)n2C[C@@H]2CCOC2)CC1 ZINC001123057028 1023613844 /nfs/dbraw/zinc/61/38/44/1023613844.db2.gz XUNZUJCVCHRPFX-SFHVURJKSA-N 1 2 359.518 2.703 20 30 FFEDLO N#C[C@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2C[C@@H]2CCCCO2)C1 ZINC001123199630 1023682911 /nfs/dbraw/zinc/68/29/11/1023682911.db2.gz AUKBZJHRKUIFCB-MSOLQXFVSA-N 1 2 372.517 2.573 20 30 FFEDLO N#CCCN(CC1CC1)c1nnc(C[NH+]2CCCC2)n1C[C@H]1CCCCO1 ZINC001123261061 1023712756 /nfs/dbraw/zinc/71/27/56/1023712756.db2.gz YYBRICKRXBVCIF-GOSISDBHSA-N 1 2 372.517 2.573 20 30 FFEDLO COC(=O)c1ccc(N[NH+]=Cc2ccc(N3CCCC3)nc2)c(OC)c1 ZINC000756897790 1023766057 /nfs/dbraw/zinc/76/60/57/1023766057.db2.gz OQOFXHVCGGVXTQ-UHFFFAOYSA-N 1 2 354.410 2.923 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C2 ZINC001111311675 1023789033 /nfs/dbraw/zinc/78/90/33/1023789033.db2.gz QIECNIXOCCIXFL-QRVBRYPASA-N 1 2 369.509 2.621 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C2 ZINC001111311675 1023789038 /nfs/dbraw/zinc/78/90/38/1023789038.db2.gz QIECNIXOCCIXFL-QRVBRYPASA-N 1 2 369.509 2.621 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(CC)Cc1ccccc1C ZINC001121509580 1023817260 /nfs/dbraw/zinc/81/72/60/1023817260.db2.gz HFRVYEAVUUMMJX-QZTJIDSGSA-N 1 2 355.486 2.537 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(CC)Cc1ccccc1C ZINC001121509580 1023817265 /nfs/dbraw/zinc/81/72/65/1023817265.db2.gz HFRVYEAVUUMMJX-QZTJIDSGSA-N 1 2 355.486 2.537 20 30 FFEDLO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1nc(SCCC)[nH]c(=O)c1[N+](=O)[O-] ZINC001218455376 1033164357 /nfs/dbraw/zinc/16/43/57/1033164357.db2.gz JTKRIGQPSMLHBN-GHMZBOCLSA-N 1 2 354.432 2.668 20 30 FFEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC2(COC2)C1 ZINC001121582938 1023863597 /nfs/dbraw/zinc/86/35/97/1023863597.db2.gz YUZRPBQKKHXBHK-KRWDZBQOSA-N 1 2 367.497 2.884 20 30 FFEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC2(COC2)C1 ZINC001121582938 1023863604 /nfs/dbraw/zinc/86/36/04/1023863604.db2.gz YUZRPBQKKHXBHK-KRWDZBQOSA-N 1 2 367.497 2.884 20 30 FFEDLO C=CCn1c(N2CCCC3(CCCC3)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121608960 1023878850 /nfs/dbraw/zinc/87/88/50/1023878850.db2.gz XFFUUMVSXLQPCK-APWZRJJASA-N 1 2 359.518 2.536 20 30 FFEDLO C=CCn1c(N2CCCC3(CCCC3)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121608960 1023878862 /nfs/dbraw/zinc/87/88/62/1023878862.db2.gz XFFUUMVSXLQPCK-APWZRJJASA-N 1 2 359.518 2.536 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)CCCCc1ccccc1 ZINC001121608170 1023878906 /nfs/dbraw/zinc/87/89/06/1023878906.db2.gz DKSBXCIQSKKILN-OALUTQOASA-N 1 2 369.513 2.661 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)CCCCc1ccccc1 ZINC001121608170 1023878908 /nfs/dbraw/zinc/87/89/08/1023878908.db2.gz DKSBXCIQSKKILN-OALUTQOASA-N 1 2 369.513 2.661 20 30 FFEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@H](OC)C1 ZINC001121682630 1023924831 /nfs/dbraw/zinc/92/48/31/1023924831.db2.gz UBZGIZKIURHTAQ-FUHWJXTLSA-N 1 2 355.486 2.882 20 30 FFEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@H](OC)C1 ZINC001121682630 1023924836 /nfs/dbraw/zinc/92/48/36/1023924836.db2.gz UBZGIZKIURHTAQ-FUHWJXTLSA-N 1 2 355.486 2.882 20 30 FFEDLO CC[C@H]1CN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC)C[C@H](CC)O1 ZINC001121712870 1023940792 /nfs/dbraw/zinc/94/07/92/1023940792.db2.gz RSECPDJHNVIBBP-ROUUACIJSA-N 1 2 374.533 2.785 20 30 FFEDLO C=CCn1c(C[NH+]2CCCC2)nnc1N1CCC(Nc2ccccn2)CC1 ZINC001121716303 1023942802 /nfs/dbraw/zinc/94/28/02/1023942802.db2.gz GMCPIQPLWXUBCK-UHFFFAOYSA-N 1 2 367.501 2.536 20 30 FFEDLO C=C/C(C)=C/CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218486024 1033176474 /nfs/dbraw/zinc/17/64/74/1033176474.db2.gz BFWBPISJZUFIJS-ONEWUGLASA-N 1 2 357.479 2.554 20 30 FFEDLO C=C/C(C)=C/CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218486024 1033176482 /nfs/dbraw/zinc/17/64/82/1033176482.db2.gz BFWBPISJZUFIJS-ONEWUGLASA-N 1 2 357.479 2.554 20 30 FFEDLO CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1cc(C#N)cs1 ZINC001121804207 1024044080 /nfs/dbraw/zinc/04/40/80/1024044080.db2.gz SWOTWHZQXWAIMC-INIZCTEOSA-N 1 2 374.514 2.649 20 30 FFEDLO CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1cc(C#N)cs1 ZINC001121804207 1024044097 /nfs/dbraw/zinc/04/40/97/1024044097.db2.gz SWOTWHZQXWAIMC-INIZCTEOSA-N 1 2 374.514 2.649 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3cccs3)o1)C2 ZINC001111338831 1024082307 /nfs/dbraw/zinc/08/23/07/1024082307.db2.gz XOJCWJAXOSFTFT-OAGGEKHMSA-N 1 2 370.474 2.993 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3cccs3)o1)C2 ZINC001111338831 1024082327 /nfs/dbraw/zinc/08/23/27/1024082327.db2.gz XOJCWJAXOSFTFT-OAGGEKHMSA-N 1 2 370.474 2.993 20 30 FFEDLO CCc1c2ccccc2oc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#CCOC ZINC001111480114 1024099249 /nfs/dbraw/zinc/09/92/49/1024099249.db2.gz HKAUDNUQSRTOJK-LZQZEXGQSA-N 1 2 366.461 2.980 20 30 FFEDLO CCc1c2ccccc2oc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#CCOC ZINC001111480114 1024099265 /nfs/dbraw/zinc/09/92/65/1024099265.db2.gz HKAUDNUQSRTOJK-LZQZEXGQSA-N 1 2 366.461 2.980 20 30 FFEDLO Cc1nnc([C@H](C)[N@@H+]2C[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@]3(C)C2)s1 ZINC001101232462 1024144950 /nfs/dbraw/zinc/14/49/50/1024144950.db2.gz VPELYBPWBOHXTM-OHNRDTAOSA-N 1 2 360.527 2.737 20 30 FFEDLO Cc1nnc([C@H](C)[N@H+]2C[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@]3(C)C2)s1 ZINC001101232462 1024144955 /nfs/dbraw/zinc/14/49/55/1024144955.db2.gz VPELYBPWBOHXTM-OHNRDTAOSA-N 1 2 360.527 2.737 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001101252046 1024199531 /nfs/dbraw/zinc/19/95/31/1024199531.db2.gz YPZLZQDISCVRGJ-UZLBHIALSA-N 1 2 359.518 2.742 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001101252046 1024199542 /nfs/dbraw/zinc/19/95/42/1024199542.db2.gz YPZLZQDISCVRGJ-UZLBHIALSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001101254474 1024212106 /nfs/dbraw/zinc/21/21/06/1024212106.db2.gz TUKSNWUESDEGIE-KDOFPFPSSA-N 1 2 350.894 2.710 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001101254474 1024212118 /nfs/dbraw/zinc/21/21/18/1024212118.db2.gz TUKSNWUESDEGIE-KDOFPFPSSA-N 1 2 350.894 2.710 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nc(C(C)C)no3)C[C@@]2(C)C1 ZINC001101333318 1024476652 /nfs/dbraw/zinc/47/66/52/1024476652.db2.gz PSULQBFSHUAGNS-UZLBHIALSA-N 1 2 358.486 2.667 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nc(C(C)C)no3)C[C@@]2(C)C1 ZINC001101333318 1024476656 /nfs/dbraw/zinc/47/66/56/1024476656.db2.gz PSULQBFSHUAGNS-UZLBHIALSA-N 1 2 358.486 2.667 20 30 FFEDLO Cc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001095843451 1024597801 /nfs/dbraw/zinc/59/78/01/1024597801.db2.gz BLHVSPHMYVYJGP-NEWSRXKRSA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001095843451 1024597812 /nfs/dbraw/zinc/59/78/12/1024597812.db2.gz BLHVSPHMYVYJGP-NEWSRXKRSA-N 1 2 368.868 2.758 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC(C)C)cc1)C2 ZINC001111381129 1024614434 /nfs/dbraw/zinc/61/44/34/1024614434.db2.gz KXTQCOZHNJFXNM-AQNXPRMDSA-N 1 2 369.509 2.522 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC(C)C)cc1)C2 ZINC001111381129 1024614438 /nfs/dbraw/zinc/61/44/38/1024614438.db2.gz KXTQCOZHNJFXNM-AQNXPRMDSA-N 1 2 369.509 2.522 20 30 FFEDLO C[C@H](ON=C(N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000194667476 1024875410 /nfs/dbraw/zinc/87/54/10/1024875410.db2.gz QUJGXKAYEDQLQJ-JXFKEZNVSA-N 1 2 364.449 2.809 20 30 FFEDLO C[C@H](ON=C(N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000194667476 1024875427 /nfs/dbraw/zinc/87/54/27/1024875427.db2.gz QUJGXKAYEDQLQJ-JXFKEZNVSA-N 1 2 364.449 2.809 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cccnc1 ZINC001141165929 1025551554 /nfs/dbraw/zinc/55/15/54/1025551554.db2.gz PTAYUPPUSSDNTE-WOJBJXKFSA-N 1 2 364.424 2.858 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cccnc1 ZINC001141165929 1025551568 /nfs/dbraw/zinc/55/15/68/1025551568.db2.gz PTAYUPPUSSDNTE-WOJBJXKFSA-N 1 2 364.424 2.858 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2ncc(Cl)n2C)C[C@H]1C ZINC001102328571 1025756990 /nfs/dbraw/zinc/75/69/90/1025756990.db2.gz OPGRVEZKEXYZEJ-HBUWYVDXSA-N 1 2 352.910 2.860 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2ncc(Cl)n2C)C[C@H]1C ZINC001102328571 1025757005 /nfs/dbraw/zinc/75/70/05/1025757005.db2.gz OPGRVEZKEXYZEJ-HBUWYVDXSA-N 1 2 352.910 2.860 20 30 FFEDLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001141293991 1025781354 /nfs/dbraw/zinc/78/13/54/1025781354.db2.gz RDGURCVVSBQEMZ-IBGZPJMESA-N 1 2 356.447 2.969 20 30 FFEDLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001141293991 1025781368 /nfs/dbraw/zinc/78/13/68/1025781368.db2.gz RDGURCVVSBQEMZ-IBGZPJMESA-N 1 2 356.447 2.969 20 30 FFEDLO N#Cc1ccc2ncc(C[N@H+]3CC[C@]4(C3)CC(=O)c3ccccc3O4)n2c1 ZINC000639265219 1026255357 /nfs/dbraw/zinc/25/53/57/1026255357.db2.gz HDSVOCPVBURLIC-OAQYLSRUSA-N 1 2 358.401 2.816 20 30 FFEDLO N#Cc1ccc2ncc(C[N@@H+]3CC[C@]4(C3)CC(=O)c3ccccc3O4)n2c1 ZINC000639265219 1026255364 /nfs/dbraw/zinc/25/53/64/1026255364.db2.gz HDSVOCPVBURLIC-OAQYLSRUSA-N 1 2 358.401 2.816 20 30 FFEDLO C=C[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2csnn2)C[C@H]1C)c1ccccc1 ZINC001102593482 1026378901 /nfs/dbraw/zinc/37/89/01/1026378901.db2.gz WXBBCOMTSPOBHS-KYJSFNMBSA-N 1 2 356.495 2.692 20 30 FFEDLO C=C[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2csnn2)C[C@H]1C)c1ccccc1 ZINC001102593482 1026378909 /nfs/dbraw/zinc/37/89/09/1026378909.db2.gz WXBBCOMTSPOBHS-KYJSFNMBSA-N 1 2 356.495 2.692 20 30 FFEDLO CC(C)C#CC(=O)NCC[C@@H]1C[N@H+](Cc2noc(CC(C)C)n2)C[C@H]1C ZINC001102958626 1026832350 /nfs/dbraw/zinc/83/23/50/1026832350.db2.gz FVTCNBVNEXLMMR-IAGOWNOFSA-N 1 2 360.502 2.502 20 30 FFEDLO CC(C)C#CC(=O)NCC[C@@H]1C[N@@H+](Cc2noc(CC(C)C)n2)C[C@H]1C ZINC001102958626 1026832357 /nfs/dbraw/zinc/83/23/57/1026832357.db2.gz FVTCNBVNEXLMMR-IAGOWNOFSA-N 1 2 360.502 2.502 20 30 FFEDLO C#CC[N@@H+](CN1CCN(Cc2cccnc2)C1=O)[C@@H]1CCc2ccccc21 ZINC000839964593 1026886180 /nfs/dbraw/zinc/88/61/80/1026886180.db2.gz QXZPPBPHXWWPIU-OAQYLSRUSA-N 1 2 360.461 2.899 20 30 FFEDLO C#CC[N@H+](CN1CCN(Cc2cccnc2)C1=O)[C@@H]1CCc2ccccc21 ZINC000839964593 1026886190 /nfs/dbraw/zinc/88/61/90/1026886190.db2.gz QXZPPBPHXWWPIU-OAQYLSRUSA-N 1 2 360.461 2.899 20 30 FFEDLO Cc1cc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)nc(C#N)n1 ZINC001158547641 1027057153 /nfs/dbraw/zinc/05/71/53/1027057153.db2.gz XIEKOMBIAIYXJH-HNNXBMFYSA-N 1 2 361.371 2.910 20 30 FFEDLO Cc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)nc(C#N)n1 ZINC001158547641 1027057158 /nfs/dbraw/zinc/05/71/58/1027057158.db2.gz XIEKOMBIAIYXJH-HNNXBMFYSA-N 1 2 361.371 2.910 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1nc(C)c(C)cc1C#N)C[NH2+]C2(C)C ZINC001159659545 1027459549 /nfs/dbraw/zinc/45/95/49/1027459549.db2.gz HCWMPVSILPLGEO-UHFFFAOYSA-N 1 2 354.414 2.853 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1ccc3c(C#N)c[nH]c3n1)C[NH2+]C2(C)C ZINC001159659331 1027459867 /nfs/dbraw/zinc/45/98/67/1027459867.db2.gz FCVNDTLVGZBLDK-UHFFFAOYSA-N 1 2 365.397 2.718 20 30 FFEDLO CC(C)[C@@H](NC(=O)CO[NH+]=C(N)Cc1cccnc1)c1ccc(F)cc1 ZINC000092916362 1027506519 /nfs/dbraw/zinc/50/65/19/1027506519.db2.gz XAJXPUSOGWJPEP-LJQANCHMSA-N 1 2 358.417 2.566 20 30 FFEDLO C=CCOc1ccccc1[C@H](C)Nc1cc(N2CCC[C@H]2C(N)=O)nc[nH+]1 ZINC001160182695 1027626073 /nfs/dbraw/zinc/62/60/73/1027626073.db2.gz KHGJMCNOWZPMSD-HOCLYGCPSA-N 1 2 367.453 2.669 20 30 FFEDLO C=CCOc1ccccc1[C@H](C)Nc1cc(N2CCC[C@H]2C(N)=O)[nH+]cn1 ZINC001160182695 1027626080 /nfs/dbraw/zinc/62/60/80/1027626080.db2.gz KHGJMCNOWZPMSD-HOCLYGCPSA-N 1 2 367.453 2.669 20 30 FFEDLO COc1cc(C#N)nc(NC2CC[NH+](CC(=O)c3ccccc3)CC2)c1 ZINC001161146403 1028036511 /nfs/dbraw/zinc/03/65/11/1028036511.db2.gz AGUYWGYKFAILFV-UHFFFAOYSA-N 1 2 350.422 2.721 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2csnn2)C[C@H]1CCNC(=O)CC#Cc1ccccc1 ZINC001103744834 1028120073 /nfs/dbraw/zinc/12/00/73/1028120073.db2.gz VHWNTLWCRBPKGV-SJLPKXTDSA-N 1 2 368.506 2.554 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2csnn2)C[C@H]1CCNC(=O)CC#Cc1ccccc1 ZINC001103744834 1028120081 /nfs/dbraw/zinc/12/00/81/1028120081.db2.gz VHWNTLWCRBPKGV-SJLPKXTDSA-N 1 2 368.506 2.554 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2noc(CCCC)n2)C1 ZINC001104124214 1028589304 /nfs/dbraw/zinc/58/93/04/1028589304.db2.gz CZNKYYLAQAXKAA-IAGOWNOFSA-N 1 2 360.502 2.790 20 30 FFEDLO C[N@@H+]1CCO[C@@H](CNc2cnc(Cl)nc2Oc2ccc(C#N)cc2)C1 ZINC001155201911 1028622812 /nfs/dbraw/zinc/62/28/12/1028622812.db2.gz WHVAYEVXTWLXTC-AWEZNQCLSA-N 1 2 359.817 2.536 20 30 FFEDLO C[N@H+]1CCO[C@@H](CNc2cnc(Cl)nc2Oc2ccc(C#N)cc2)C1 ZINC001155201911 1028622816 /nfs/dbraw/zinc/62/28/16/1028622816.db2.gz WHVAYEVXTWLXTC-AWEZNQCLSA-N 1 2 359.817 2.536 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2noc(C(C)(C)C)n2)C1 ZINC001104163177 1028623741 /nfs/dbraw/zinc/62/37/41/1028623741.db2.gz DHUDNGXDHSSSRQ-HZPDHXFCSA-N 1 2 360.502 2.601 20 30 FFEDLO Cc1ccc([C@@H](C#N)c2ccc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)nn2)cc1 ZINC001162848213 1028678180 /nfs/dbraw/zinc/67/81/80/1028678180.db2.gz AMIGVJXJFKYIGJ-CVEARBPZSA-N 1 2 367.453 2.521 20 30 FFEDLO C[C@H](c1cccc(NC(=O)[C@H](O)c2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000780931426 1028878701 /nfs/dbraw/zinc/87/87/01/1028878701.db2.gz YWTJICFRJNVBMU-FOIQADDNSA-N 1 2 365.433 2.624 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2ccc(F)cc2)nnc1Cl ZINC001156332930 1029150143 /nfs/dbraw/zinc/15/01/43/1029150143.db2.gz RHYLEXJZEYYMIP-LBPRGKRZSA-N 1 2 367.762 2.783 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1nnc(CC)[nH]1)C2 ZINC001111713003 1029215681 /nfs/dbraw/zinc/21/56/81/1029215681.db2.gz PSYJGRVDEKCZPJ-FTRWYGJKSA-N 1 2 357.502 2.592 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1nnc(CC)[nH]1)C2 ZINC001111713003 1029215694 /nfs/dbraw/zinc/21/56/94/1029215694.db2.gz PSYJGRVDEKCZPJ-FTRWYGJKSA-N 1 2 357.502 2.592 20 30 FFEDLO CCCCc1noc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)C)C2)n1 ZINC001111736856 1029293356 /nfs/dbraw/zinc/29/33/56/1029293356.db2.gz YSIFRSHKDCCWBH-JXFKEZNVSA-N 1 2 358.486 2.542 20 30 FFEDLO CCCCc1noc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)C)C2)n1 ZINC001111736856 1029293379 /nfs/dbraw/zinc/29/33/79/1029293379.db2.gz YSIFRSHKDCCWBH-JXFKEZNVSA-N 1 2 358.486 2.542 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(F)C(F)(F)F)C1 ZINC001111756060 1029350299 /nfs/dbraw/zinc/35/02/99/1029350299.db2.gz CDPSUIUJGRIIEK-UXLLHSPISA-N 1 2 369.362 2.929 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(F)C(F)(F)F)C1 ZINC001111756060 1029350303 /nfs/dbraw/zinc/35/03/03/1029350303.db2.gz CDPSUIUJGRIIEK-UXLLHSPISA-N 1 2 369.362 2.929 20 30 FFEDLO O=C(N[C@]12CCC[C@H]1C[N@H+](CC#Cc1ccccc1)C2)C(F)C(F)(F)F ZINC001111756274 1029352400 /nfs/dbraw/zinc/35/24/00/1029352400.db2.gz JOCGANHDMMEAMQ-BQFCYCMXSA-N 1 2 368.374 2.909 20 30 FFEDLO O=C(N[C@]12CCC[C@H]1C[N@@H+](CC#Cc1ccccc1)C2)C(F)C(F)(F)F ZINC001111756274 1029352417 /nfs/dbraw/zinc/35/24/17/1029352417.db2.gz JOCGANHDMMEAMQ-BQFCYCMXSA-N 1 2 368.374 2.909 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnn(CC)n1)C2 ZINC001111757504 1029356745 /nfs/dbraw/zinc/35/67/45/1029356745.db2.gz CSUYTQWHEJAVHF-PXNSSMCTSA-N 1 2 357.502 2.537 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnn(CC)n1)C2 ZINC001111757504 1029356761 /nfs/dbraw/zinc/35/67/61/1029356761.db2.gz CSUYTQWHEJAVHF-PXNSSMCTSA-N 1 2 357.502 2.537 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1nncn1C)C2 ZINC001111759867 1029366975 /nfs/dbraw/zinc/36/69/75/1029366975.db2.gz MXAVCWFDYNTXTK-SYNHAJSKSA-N 1 2 357.502 2.615 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1nncn1C)C2 ZINC001111759867 1029366984 /nfs/dbraw/zinc/36/69/84/1029366984.db2.gz MXAVCWFDYNTXTK-SYNHAJSKSA-N 1 2 357.502 2.615 20 30 FFEDLO N#Cc1ccc(O[C@H]2CCCN(C(=O)c3ccc4[nH+]c(N)[nH]c4c3)C2)cc1 ZINC001156972248 1029427015 /nfs/dbraw/zinc/42/70/15/1029427015.db2.gz WFZRSXBKTKMLFD-INIZCTEOSA-N 1 2 361.405 2.700 20 30 FFEDLO C[C@@H](C#N)CNC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000781945642 1029487124 /nfs/dbraw/zinc/48/71/24/1029487124.db2.gz WFYLCQAKPSKHRY-ZDUSSCGKSA-N 1 2 370.375 2.572 20 30 FFEDLO COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1ccc(C)c(C#N)n1 ZINC001157506354 1029602034 /nfs/dbraw/zinc/60/20/34/1029602034.db2.gz UWNAIOCIBXPVRO-SFHVURJKSA-N 1 2 364.449 2.516 20 30 FFEDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1ccc(C)c(C#N)n1 ZINC001157506354 1029602044 /nfs/dbraw/zinc/60/20/44/1029602044.db2.gz UWNAIOCIBXPVRO-SFHVURJKSA-N 1 2 364.449 2.516 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(C3CC3)no1)C2 ZINC001111846032 1029609075 /nfs/dbraw/zinc/60/90/75/1029609075.db2.gz NTFGMDUWLMNFLL-JXFKEZNVSA-N 1 2 356.470 2.611 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(C3CC3)no1)C2 ZINC001111846032 1029609082 /nfs/dbraw/zinc/60/90/82/1029609082.db2.gz NTFGMDUWLMNFLL-JXFKEZNVSA-N 1 2 356.470 2.611 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(C(C)C)nn1)C2 ZINC001111848302 1029612209 /nfs/dbraw/zinc/61/22/09/1029612209.db2.gz BFPRNYUHEQIMKZ-ZWOKBUDYSA-N 1 2 359.518 2.932 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(C(C)C)nn1)C2 ZINC001111848302 1029612213 /nfs/dbraw/zinc/61/22/13/1029612213.db2.gz BFPRNYUHEQIMKZ-ZWOKBUDYSA-N 1 2 359.518 2.932 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CCC1 ZINC001111910457 1029718893 /nfs/dbraw/zinc/71/88/93/1029718893.db2.gz SXDKKDGOYLOMDE-AEFFLSMTSA-N 1 2 370.497 2.706 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1(Nc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001111909930 1029719243 /nfs/dbraw/zinc/71/92/43/1029719243.db2.gz HLMYPGPAXXURAC-CVEARBPZSA-N 1 2 358.486 2.950 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000782561807 1029746714 /nfs/dbraw/zinc/74/67/14/1029746714.db2.gz SPKHHMIJYCUFJQ-CALCHBBNSA-N 1 2 365.518 2.885 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000782561807 1029746720 /nfs/dbraw/zinc/74/67/20/1029746720.db2.gz SPKHHMIJYCUFJQ-CALCHBBNSA-N 1 2 365.518 2.885 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H](O[NH+]=C(N)Cc3cccc(F)c3)C2=O)cc1 ZINC000783150296 1029926961 /nfs/dbraw/zinc/92/69/61/1029926961.db2.gz BSZCETJNJPHHJE-SFHVURJKSA-N 1 2 366.396 2.934 20 30 FFEDLO Cc1nc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2C(F)(F)F)c(C)o1 ZINC001112101077 1030006065 /nfs/dbraw/zinc/00/60/65/1030006065.db2.gz XCRJXTTXYFHDCQ-UKRRQHHQSA-N 1 2 371.403 2.820 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nccn2C)C1 ZINC001112106889 1030019963 /nfs/dbraw/zinc/01/99/63/1030019963.db2.gz FCPIFQJWWSABFB-HUUCEWRRSA-N 1 2 370.419 2.667 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001112107201 1030020436 /nfs/dbraw/zinc/02/04/36/1030020436.db2.gz SQGPNQOCGNGNBD-HZPDHXFCSA-N 1 2 370.419 2.667 20 30 FFEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1c1nccc(Cl)c1C#N ZINC001165651769 1030068156 /nfs/dbraw/zinc/06/81/56/1030068156.db2.gz DSSFUUIMVWFUDZ-INIZCTEOSA-N 1 2 372.860 2.624 20 30 FFEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1c1nc(C)c(C)cc1C#N ZINC001165653011 1030069318 /nfs/dbraw/zinc/06/93/18/1030069318.db2.gz QKJBGZUSNRAPNL-SFHVURJKSA-N 1 2 366.469 2.587 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001112179394 1030160122 /nfs/dbraw/zinc/16/01/22/1030160122.db2.gz NICSDOXABOPFMG-SJORKVTESA-N 1 2 358.486 2.538 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(F)c(F)ccc1OCC ZINC001276406660 1030627235 /nfs/dbraw/zinc/62/72/35/1030627235.db2.gz HVUWZJFBBNHLAX-HXUWFJFHSA-N 1 2 362.420 2.954 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(F)c(F)ccc1OCC ZINC001276406660 1030627244 /nfs/dbraw/zinc/62/72/44/1030627244.db2.gz HVUWZJFBBNHLAX-HXUWFJFHSA-N 1 2 362.420 2.954 20 30 FFEDLO CCOC(=O)c1cc(C#N)c(C)nc1N1CC[NH+](Cc2ccc(C)o2)CC1 ZINC001203297709 1030668639 /nfs/dbraw/zinc/66/86/39/1030668639.db2.gz VPSWLZPOGLWYRK-UHFFFAOYSA-N 1 2 368.437 2.662 20 30 FFEDLO N#Cc1ccc2c(C[N@@H+]3CCCn4c(Cn5cccc5)nnc4C3)c[nH]c2c1 ZINC001142929212 1031070402 /nfs/dbraw/zinc/07/04/02/1031070402.db2.gz ZYGHLCTYFGZENB-UHFFFAOYSA-N 1 2 371.448 2.887 20 30 FFEDLO N#Cc1ccc2c(C[N@H+]3CCCn4c(Cn5cccc5)nnc4C3)c[nH]c2c1 ZINC001142929212 1031070416 /nfs/dbraw/zinc/07/04/16/1031070416.db2.gz ZYGHLCTYFGZENB-UHFFFAOYSA-N 1 2 371.448 2.887 20 30 FFEDLO CC[N@H+](CCC#N)Cc1cc(I)c(O)c(OC)c1 ZINC001204117383 1031110646 /nfs/dbraw/zinc/11/06/46/1031110646.db2.gz VNSUQWMGHKKWTL-UHFFFAOYSA-N 1 2 360.195 2.741 20 30 FFEDLO CC[N@@H+](CCC#N)Cc1cc(I)c(O)c(OC)c1 ZINC001204117383 1031110650 /nfs/dbraw/zinc/11/06/50/1031110650.db2.gz VNSUQWMGHKKWTL-UHFFFAOYSA-N 1 2 360.195 2.741 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)c(OCC)c(F)c1 ZINC001276473769 1031364576 /nfs/dbraw/zinc/36/45/76/1031364576.db2.gz NGWCVCJQWUQOSI-HXUWFJFHSA-N 1 2 362.420 2.954 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)c(OCC)c(F)c1 ZINC001276473769 1031364587 /nfs/dbraw/zinc/36/45/87/1031364587.db2.gz NGWCVCJQWUQOSI-HXUWFJFHSA-N 1 2 362.420 2.954 20 30 FFEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000798927733 1031585942 /nfs/dbraw/zinc/58/59/42/1031585942.db2.gz VOOAAWBXGJMCNN-GOSISDBHSA-N 1 2 362.437 2.785 20 30 FFEDLO C=CCN1CC[N@@H+](C)C2(CCN(Cc3sccc3Cl)CC2)C1=O ZINC001205333564 1031676164 /nfs/dbraw/zinc/67/61/64/1031676164.db2.gz JMNQQTNQGCNXJD-UHFFFAOYSA-N 1 2 353.919 2.696 20 30 FFEDLO C=CCN1CC[N@H+](C)C2(CCN(Cc3sccc3Cl)CC2)C1=O ZINC001205333564 1031676173 /nfs/dbraw/zinc/67/61/73/1031676173.db2.gz JMNQQTNQGCNXJD-UHFFFAOYSA-N 1 2 353.919 2.696 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001205386586 1031701822 /nfs/dbraw/zinc/70/18/22/1031701822.db2.gz XHRYGRUPZZBEEP-DLBZAZTESA-N 1 2 358.417 2.568 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](Cc2ccncc2C)Cc2nnn(CC3CC3)c21 ZINC001205841775 1032027204 /nfs/dbraw/zinc/02/72/04/1032027204.db2.gz HMEYJFVKIXHBSQ-GOSISDBHSA-N 1 2 353.470 2.694 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](Cc2ccncc2C)Cc2nnn(CC3CC3)c21 ZINC001205841775 1032027220 /nfs/dbraw/zinc/02/72/20/1032027220.db2.gz HMEYJFVKIXHBSQ-GOSISDBHSA-N 1 2 353.470 2.694 20 30 FFEDLO S=C(NCCc1ccccn1)N[NH+]=Cc1ccc(N2CCCC2)cc1 ZINC001115951267 1032031663 /nfs/dbraw/zinc/03/16/63/1032031663.db2.gz CPIQIPQAOSSWOP-UHFFFAOYSA-N 1 2 353.495 2.723 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3CCC)[C@H]2C1 ZINC001223338317 1033402168 /nfs/dbraw/zinc/40/21/68/1033402168.db2.gz LWCCBDKPOIYCDA-KSZLIROESA-N 1 2 359.518 2.713 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3CCC)[C@H]2C1 ZINC001223338317 1033402179 /nfs/dbraw/zinc/40/21/79/1033402179.db2.gz LWCCBDKPOIYCDA-KSZLIROESA-N 1 2 359.518 2.713 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccnc(SC(C)C)n1 ZINC001276889637 1033439816 /nfs/dbraw/zinc/43/98/16/1033439816.db2.gz WUNHPOORJXICFW-LJQANCHMSA-N 1 2 358.511 2.567 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccnc(SC(C)C)n1 ZINC001276889637 1033439822 /nfs/dbraw/zinc/43/98/22/1033439822.db2.gz WUNHPOORJXICFW-LJQANCHMSA-N 1 2 358.511 2.567 20 30 FFEDLO CCCC[C@@H](CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001219235233 1033565224 /nfs/dbraw/zinc/56/52/24/1033565224.db2.gz PBNDWKSSUPMWLF-RLLQIKCJSA-N 1 2 360.473 2.555 20 30 FFEDLO CCCC[C@@H](CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001219235233 1033565235 /nfs/dbraw/zinc/56/52/35/1033565235.db2.gz PBNDWKSSUPMWLF-RLLQIKCJSA-N 1 2 360.473 2.555 20 30 FFEDLO CCOC(=O)c1csc(CO[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001223943180 1033654712 /nfs/dbraw/zinc/65/47/12/1033654712.db2.gz YLPNUKUMAZCOOY-INIZCTEOSA-N 1 2 371.462 2.983 20 30 FFEDLO CCOC(=O)c1csc(CO[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001223943180 1033654719 /nfs/dbraw/zinc/65/47/19/1033654719.db2.gz YLPNUKUMAZCOOY-INIZCTEOSA-N 1 2 371.462 2.983 20 30 FFEDLO CC(C)(C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001219687833 1033748534 /nfs/dbraw/zinc/74/85/34/1033748534.db2.gz CJTIZBQDESKPGZ-MOPGFXCFSA-N 1 2 357.498 2.826 20 30 FFEDLO CC(C)(C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001219687833 1033748548 /nfs/dbraw/zinc/74/85/48/1033748548.db2.gz CJTIZBQDESKPGZ-MOPGFXCFSA-N 1 2 357.498 2.826 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccc2Cl)C[C@@H]1O ZINC001220205800 1034046824 /nfs/dbraw/zinc/04/68/24/1034046824.db2.gz NMGNNQSYKFHCTD-XWIAVFTESA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccc2Cl)C[C@@H]1O ZINC001220205800 1034046837 /nfs/dbraw/zinc/04/68/37/1034046837.db2.gz NMGNNQSYKFHCTD-XWIAVFTESA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2Cl)C[C@@H]1O ZINC001220293802 1034103638 /nfs/dbraw/zinc/10/36/38/1034103638.db2.gz VJMZXOMFWXYWPS-VCBZYWHSSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2Cl)C[C@@H]1O ZINC001220293802 1034103646 /nfs/dbraw/zinc/10/36/46/1034103646.db2.gz VJMZXOMFWXYWPS-VCBZYWHSSA-N 1 2 366.889 2.612 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)CC(C)(C)C ZINC001220416217 1034162442 /nfs/dbraw/zinc/16/24/42/1034162442.db2.gz NDJHRXOWRYWKMB-RLLQIKCJSA-N 1 2 356.510 2.662 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)CC(C)(C)C ZINC001220416217 1034162447 /nfs/dbraw/zinc/16/24/47/1034162447.db2.gz NDJHRXOWRYWKMB-RLLQIKCJSA-N 1 2 356.510 2.662 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3c2c(F)ccc3F)C[C@@H]1O ZINC001220434651 1034175528 /nfs/dbraw/zinc/17/55/28/1034175528.db2.gz VEQZTWKHYHYGTE-ZACQAIPSSA-N 1 2 364.436 2.716 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3c2c(F)ccc3F)C[C@@H]1O ZINC001220434651 1034175536 /nfs/dbraw/zinc/17/55/36/1034175536.db2.gz VEQZTWKHYHYGTE-ZACQAIPSSA-N 1 2 364.436 2.716 20 30 FFEDLO C#CCOc1ccc(C[NH+]2CCN(c3ncccc3F)CC2)cc1OC ZINC001138347721 1034181122 /nfs/dbraw/zinc/18/11/22/1034181122.db2.gz KFQTYWPQTKBATI-UHFFFAOYSA-N 1 2 355.413 2.564 20 30 FFEDLO C[C@@H](CCC(C)(C)C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220764254 1034385079 /nfs/dbraw/zinc/38/50/79/1034385079.db2.gz DXVGGSYPFIUMKO-SXLOBPIMSA-N 1 2 356.510 2.662 20 30 FFEDLO C[C@@H](CCC(C)(C)C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220764254 1034385088 /nfs/dbraw/zinc/38/50/88/1034385088.db2.gz DXVGGSYPFIUMKO-SXLOBPIMSA-N 1 2 356.510 2.662 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cccnc2NC(=O)C(C)(C)C)C1 ZINC001138542220 1034392508 /nfs/dbraw/zinc/39/25/08/1034392508.db2.gz BAPGSLMDTPUEGZ-MRXNPFEDSA-N 1 2 374.485 2.943 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccnc2NC(=O)C(C)(C)C)C1 ZINC001138542220 1034392521 /nfs/dbraw/zinc/39/25/21/1034392521.db2.gz BAPGSLMDTPUEGZ-MRXNPFEDSA-N 1 2 374.485 2.943 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccnn3[C@H]3CCCCO3)C2)CC1 ZINC001138774755 1034643893 /nfs/dbraw/zinc/64/38/93/1034643893.db2.gz KCQYJJYFHLDHSO-GOSISDBHSA-N 1 2 374.485 2.803 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cccnc2F)Cc2nnn(CC3CC3)c21 ZINC001138786134 1034658498 /nfs/dbraw/zinc/65/84/98/1034658498.db2.gz KIHBSMRUCWHBNC-INIZCTEOSA-N 1 2 357.433 2.524 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](Cc2cccnc2F)Cc2nnn(CC3CC3)c21 ZINC001138786134 1034658505 /nfs/dbraw/zinc/65/85/05/1034658505.db2.gz KIHBSMRUCWHBNC-INIZCTEOSA-N 1 2 357.433 2.524 20 30 FFEDLO CCO[C@H](CC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221372902 1034696433 /nfs/dbraw/zinc/69/64/33/1034696433.db2.gz PKPCADUQQOQQJZ-ATZDWAIDSA-N 1 2 359.445 2.545 20 30 FFEDLO CCO[C@H](CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221372902 1034696437 /nfs/dbraw/zinc/69/64/37/1034696437.db2.gz PKPCADUQQOQQJZ-ATZDWAIDSA-N 1 2 359.445 2.545 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3cccc(C)c3)C[C@H]21 ZINC001221488326 1034813739 /nfs/dbraw/zinc/81/37/39/1034813739.db2.gz CLYFYUBEIQSHPY-UYAOXDASSA-N 1 2 367.493 2.660 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3cccc(C)c3)C[C@H]21 ZINC001221488326 1034813743 /nfs/dbraw/zinc/81/37/43/1034813743.db2.gz CLYFYUBEIQSHPY-UYAOXDASSA-N 1 2 367.493 2.660 20 30 FFEDLO CCOc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC(C)(C)C)[C@@H]3C2)n1 ZINC001221536163 1034852891 /nfs/dbraw/zinc/85/28/91/1034852891.db2.gz APSOBHPKBKGMGH-SJLPKXTDSA-N 1 2 355.482 2.563 20 30 FFEDLO CCOc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C#CC(C)(C)C)[C@@H]3C2)n1 ZINC001221536163 1034852900 /nfs/dbraw/zinc/85/29/00/1034852900.db2.gz APSOBHPKBKGMGH-SJLPKXTDSA-N 1 2 355.482 2.563 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001221573421 1034886563 /nfs/dbraw/zinc/88/65/63/1034886563.db2.gz FVXSPZQWDPENOB-UYAOXDASSA-N 1 2 367.493 2.926 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001221573421 1034886570 /nfs/dbraw/zinc/88/65/70/1034886570.db2.gz FVXSPZQWDPENOB-UYAOXDASSA-N 1 2 367.493 2.926 20 30 FFEDLO O=C(NO)c1ccccc1O[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001227015241 1034911735 /nfs/dbraw/zinc/91/17/35/1034911735.db2.gz OUNQFVDCIDKSGI-NSHDSACASA-N 1 2 367.858 2.959 20 30 FFEDLO O=C(NO)c1ccccc1O[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001227015241 1034911743 /nfs/dbraw/zinc/91/17/43/1034911743.db2.gz OUNQFVDCIDKSGI-NSHDSACASA-N 1 2 367.858 2.959 20 30 FFEDLO CCOCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)CC1 ZINC001221654519 1034953559 /nfs/dbraw/zinc/95/35/59/1034953559.db2.gz MWDKFFDUEIMBLJ-IEBWSBKVSA-N 1 2 371.456 2.547 20 30 FFEDLO CCOCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)CC1 ZINC001221654519 1034953565 /nfs/dbraw/zinc/95/35/65/1034953565.db2.gz MWDKFFDUEIMBLJ-IEBWSBKVSA-N 1 2 371.456 2.547 20 30 FFEDLO CCC[C@H](OC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221733208 1035021777 /nfs/dbraw/zinc/02/17/77/1035021777.db2.gz IPNQGQBVOBMNIS-QRQLOZEOSA-N 1 2 359.445 2.545 20 30 FFEDLO CCC[C@H](OC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221733208 1035021781 /nfs/dbraw/zinc/02/17/81/1035021781.db2.gz IPNQGQBVOBMNIS-QRQLOZEOSA-N 1 2 359.445 2.545 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3)C[C@H]21 ZINC001221783928 1035064908 /nfs/dbraw/zinc/06/49/08/1035064908.db2.gz XRPSCDYTXPKWOT-ZHALLVOQSA-N 1 2 355.482 2.903 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3)C[C@H]21 ZINC001221783928 1035064916 /nfs/dbraw/zinc/06/49/16/1035064916.db2.gz XRPSCDYTXPKWOT-ZHALLVOQSA-N 1 2 355.482 2.903 20 30 FFEDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139402646 1035090392 /nfs/dbraw/zinc/09/03/92/1035090392.db2.gz VKMZGOBBMYYZJG-SFHVURJKSA-N 1 2 363.417 2.574 20 30 FFEDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139402646 1035090399 /nfs/dbraw/zinc/09/03/99/1035090399.db2.gz VKMZGOBBMYYZJG-SFHVURJKSA-N 1 2 363.417 2.574 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCCC(C)(C)C)C[C@H]21 ZINC001221839341 1035106804 /nfs/dbraw/zinc/10/68/04/1035106804.db2.gz NHQDAVZZGQXZDY-IAGOWNOFSA-N 1 2 363.546 2.674 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCCC(C)(C)C)C[C@H]21 ZINC001221839341 1035106809 /nfs/dbraw/zinc/10/68/09/1035106809.db2.gz NHQDAVZZGQXZDY-IAGOWNOFSA-N 1 2 363.546 2.674 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccc(-c3ccsc3)nc2)CC1 ZINC001139504343 1035138131 /nfs/dbraw/zinc/13/81/31/1035138131.db2.gz VEXAUWRASBBLDY-UHFFFAOYSA-N 1 2 362.462 2.794 20 30 FFEDLO N#Cc1c(Cl)cccc1C[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NC2CCC2)C1 ZINC001139688567 1035198806 /nfs/dbraw/zinc/19/88/06/1035198806.db2.gz PQUFSKBMJKURRT-VDZJLULYSA-N 1 2 373.884 2.717 20 30 FFEDLO N#Cc1c(Cl)cccc1C[N@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NC2CCC2)C1 ZINC001139688567 1035198809 /nfs/dbraw/zinc/19/88/09/1035198809.db2.gz PQUFSKBMJKURRT-VDZJLULYSA-N 1 2 373.884 2.717 20 30 FFEDLO C=CCn1cc(C[N@@H+]2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)cn1 ZINC001139769912 1035226751 /nfs/dbraw/zinc/22/67/51/1035226751.db2.gz VIDHSHHBOGGADC-NRFANRHFSA-N 1 2 352.482 2.941 20 30 FFEDLO C=CCn1cc(C[N@H+]2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)cn1 ZINC001139769912 1035226754 /nfs/dbraw/zinc/22/67/54/1035226754.db2.gz VIDHSHHBOGGADC-NRFANRHFSA-N 1 2 352.482 2.941 20 30 FFEDLO C=CCn1cc(C[N@@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)cn1 ZINC001139771499 1035227011 /nfs/dbraw/zinc/22/70/11/1035227011.db2.gz FREQSXNNNDRMLG-JENIJYKNSA-N 1 2 374.510 2.722 20 30 FFEDLO C=CCn1cc(C[N@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)cn1 ZINC001139771499 1035227013 /nfs/dbraw/zinc/22/70/13/1035227013.db2.gz FREQSXNNNDRMLG-JENIJYKNSA-N 1 2 374.510 2.722 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4cccc(Br)c4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227284583 1035495814 /nfs/dbraw/zinc/49/58/14/1035495814.db2.gz MOVRMDWKOHNLHF-GNMIDJSNSA-N 1 2 361.239 2.989 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4cccc(Br)c4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227284583 1035495817 /nfs/dbraw/zinc/49/58/17/1035495817.db2.gz MOVRMDWKOHNLHF-GNMIDJSNSA-N 1 2 361.239 2.989 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(OCC)ncc1Cl ZINC001277206928 1035544265 /nfs/dbraw/zinc/54/42/65/1035544265.db2.gz BQCSNFXVJIRKLT-IBGZPJMESA-N 1 2 361.873 2.724 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(OCC)ncc1Cl ZINC001277206928 1035544281 /nfs/dbraw/zinc/54/42/81/1035544281.db2.gz BQCSNFXVJIRKLT-IBGZPJMESA-N 1 2 361.873 2.724 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)cn1 ZINC001140542687 1035599695 /nfs/dbraw/zinc/59/96/95/1035599695.db2.gz DDGOMWUJYYCZMF-SZVBFZGTSA-N 1 2 370.478 2.606 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)cn1 ZINC001140542687 1035599707 /nfs/dbraw/zinc/59/97/07/1035599707.db2.gz DDGOMWUJYYCZMF-SZVBFZGTSA-N 1 2 370.478 2.606 20 30 FFEDLO C=CCOC(=O)N1CCC(OC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000835375147 1035724929 /nfs/dbraw/zinc/72/49/29/1035724929.db2.gz ASEBRVGROBAZMA-UHFFFAOYSA-N 1 2 369.421 2.875 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(OC(F)F)c(O)c3)CC2)c1 ZINC001140629296 1035756375 /nfs/dbraw/zinc/75/63/75/1035756375.db2.gz SEZJQRJLGUKSBS-UHFFFAOYSA-N 1 2 360.364 2.582 20 30 FFEDLO C#C[C@H](Oc1cccc(C(=O)C[N@H+](C)Cc2ccccc2)c1)C(=O)OCC ZINC001228102222 1035932004 /nfs/dbraw/zinc/93/20/04/1035932004.db2.gz HKDGULQKBMXOEZ-NRFANRHFSA-N 1 2 365.429 2.945 20 30 FFEDLO C#C[C@H](Oc1cccc(C(=O)C[N@@H+](C)Cc2ccccc2)c1)C(=O)OCC ZINC001228102222 1035932010 /nfs/dbraw/zinc/93/20/10/1035932010.db2.gz HKDGULQKBMXOEZ-NRFANRHFSA-N 1 2 365.429 2.945 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)c1 ZINC001232677473 1035934891 /nfs/dbraw/zinc/93/48/91/1035934891.db2.gz LZIHTZAHAKTSRO-IBGZPJMESA-N 1 2 361.445 2.760 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1cc(C)ccc1OC(C)C)C2 ZINC001277706561 1035983656 /nfs/dbraw/zinc/98/36/56/1035983656.db2.gz ZYTJHFDNCIUMTQ-UHFFFAOYSA-N 1 2 358.482 2.772 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(Cl)n(C)nc1C(F)F ZINC001277300756 1036115518 /nfs/dbraw/zinc/11/55/18/1036115518.db2.gz UTVVSWYITKGRKX-VXGBXAGGSA-N 1 2 358.820 2.762 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(Cl)n(C)nc1C(F)F ZINC001277300756 1036115524 /nfs/dbraw/zinc/11/55/24/1036115524.db2.gz UTVVSWYITKGRKX-VXGBXAGGSA-N 1 2 358.820 2.762 20 30 FFEDLO Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2cc(F)ccc2C#N)cs1 ZINC001232890815 1036132789 /nfs/dbraw/zinc/13/27/89/1036132789.db2.gz PNKKNJNVJNQUFY-ZWKOTPCHSA-N 1 2 370.453 2.838 20 30 FFEDLO Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2cc(F)ccc2C#N)cs1 ZINC001232890815 1036132794 /nfs/dbraw/zinc/13/27/94/1036132794.db2.gz PNKKNJNVJNQUFY-ZWKOTPCHSA-N 1 2 370.453 2.838 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001232891872 1036135125 /nfs/dbraw/zinc/13/51/25/1036135125.db2.gz VHGSPDGENZVQJB-PMACEKPBSA-N 1 2 353.397 2.905 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001232891872 1036135134 /nfs/dbraw/zinc/13/51/34/1036135134.db2.gz VHGSPDGENZVQJB-PMACEKPBSA-N 1 2 353.397 2.905 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3c[nH]c(Br)c3)C2)CC1 ZINC001233434401 1036620924 /nfs/dbraw/zinc/62/09/24/1036620924.db2.gz NHRBQZAVRBQUOR-UHFFFAOYSA-N 1 2 368.275 2.998 20 30 FFEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)OCC1=O ZINC001277387108 1036671697 /nfs/dbraw/zinc/67/16/97/1036671697.db2.gz FYWGSCCJLCLUBJ-GOSISDBHSA-N 1 2 368.836 2.564 20 30 FFEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)OCC1=O ZINC001277387108 1036671704 /nfs/dbraw/zinc/67/17/04/1036671704.db2.gz FYWGSCCJLCLUBJ-GOSISDBHSA-N 1 2 368.836 2.564 20 30 FFEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001277388136 1036680715 /nfs/dbraw/zinc/68/07/15/1036680715.db2.gz SLUDHJNBIMUJQV-CQSZACIVSA-N 1 2 350.821 2.536 20 30 FFEDLO COc1cc(C[N@@H+]2CCC[C@]23CCN(CCCC#N)C3=O)c(F)cc1F ZINC001277833313 1036931690 /nfs/dbraw/zinc/93/16/90/1036931690.db2.gz HUBNGRRUWHLEOW-LJQANCHMSA-N 1 2 363.408 2.844 20 30 FFEDLO COc1cc(C[N@H+]2CCC[C@]23CCN(CCCC#N)C3=O)c(F)cc1F ZINC001277833313 1036931707 /nfs/dbraw/zinc/93/17/07/1036931707.db2.gz HUBNGRRUWHLEOW-LJQANCHMSA-N 1 2 363.408 2.844 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[NH+]1CC2(C1)CN(C1CCCC1)C(=O)CO2 ZINC001277840429 1036967322 /nfs/dbraw/zinc/96/73/22/1036967322.db2.gz FPQFUOUXSZLBFA-LJQANCHMSA-N 1 2 364.530 2.730 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]1C ZINC001206967988 1036996183 /nfs/dbraw/zinc/99/61/83/1036996183.db2.gz KJPCMUVHKSXTLL-HZPDHXFCSA-N 1 2 351.516 2.843 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](Cc2nccs2)C[C@H]1C ZINC001206967988 1036996198 /nfs/dbraw/zinc/99/61/98/1036996198.db2.gz KJPCMUVHKSXTLL-HZPDHXFCSA-N 1 2 351.516 2.843 20 30 FFEDLO C=C(C)C(=O)OCC(COC(=O)C(=C)C)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954680 1036997510 /nfs/dbraw/zinc/99/75/10/1036997510.db2.gz UGSKEQZOPMSYJT-UHFFFAOYSA-N 1 2 370.405 2.858 20 30 FFEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(C#N)ccc1O ZINC001277849407 1036999173 /nfs/dbraw/zinc/99/91/73/1036999173.db2.gz BXPFKHFESNIQGH-FQEVSTJZSA-N 1 2 352.438 2.525 20 30 FFEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C#N)ccc1O ZINC001277849407 1036999183 /nfs/dbraw/zinc/99/91/83/1036999183.db2.gz BXPFKHFESNIQGH-FQEVSTJZSA-N 1 2 352.438 2.525 20 30 FFEDLO N#C[C@H]1CC[C@@H](Oc2nc(=O)[nH]c3c2CC[N@H+](Cc2ccccc2)C3)C1 ZINC001230189752 1037137115 /nfs/dbraw/zinc/13/71/15/1037137115.db2.gz VVBIFHOPCHIPFJ-JKSUJKDBSA-N 1 2 350.422 2.812 20 30 FFEDLO N#C[C@H]1CC[C@@H](Oc2nc(=O)[nH]c3c2CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001230189752 1037137127 /nfs/dbraw/zinc/13/71/27/1037137127.db2.gz VVBIFHOPCHIPFJ-JKSUJKDBSA-N 1 2 350.422 2.812 20 30 FFEDLO CCOc1nc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)c(C#N)s1 ZINC001231090875 1037464731 /nfs/dbraw/zinc/46/47/31/1037464731.db2.gz LCGHBFWGEHBGPR-OAHLLOKOSA-N 1 2 359.451 2.693 20 30 FFEDLO CCOc1nc(O[C@H]2COCC[N@@H+](Cc3ccccc3)C2)c(C#N)s1 ZINC001231090875 1037464738 /nfs/dbraw/zinc/46/47/38/1037464738.db2.gz LCGHBFWGEHBGPR-OAHLLOKOSA-N 1 2 359.451 2.693 20 30 FFEDLO N#Cc1cc(F)c(C[N@H+]2C[C@@H]3[C@H](CC(=O)NCc4ccco4)[C@@H]3C2)c(F)c1 ZINC001235654815 1037665709 /nfs/dbraw/zinc/66/57/09/1037665709.db2.gz QNGDIIFLXPZLAV-MUJYYYPQSA-N 1 2 371.387 2.814 20 30 FFEDLO N#Cc1cc(F)c(C[N@@H+]2C[C@@H]3[C@H](CC(=O)NCc4ccco4)[C@@H]3C2)c(F)c1 ZINC001235654815 1037665715 /nfs/dbraw/zinc/66/57/15/1037665715.db2.gz QNGDIIFLXPZLAV-MUJYYYPQSA-N 1 2 371.387 2.814 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CCc1ccncc1 ZINC001207834480 1037772887 /nfs/dbraw/zinc/77/28/87/1037772887.db2.gz STRKXIUAKHLCBD-FOIQADDNSA-N 1 2 366.440 2.662 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CCc1ccncc1 ZINC001207834480 1037772904 /nfs/dbraw/zinc/77/29/04/1037772904.db2.gz STRKXIUAKHLCBD-FOIQADDNSA-N 1 2 366.440 2.662 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cn(C)nc1C(F)(F)F ZINC001277573644 1037934965 /nfs/dbraw/zinc/93/49/65/1037934965.db2.gz LWGYTZLFSLDOEM-MRXNPFEDSA-N 1 2 356.392 2.582 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cn(C)nc1C(F)(F)F ZINC001277573644 1037934976 /nfs/dbraw/zinc/93/49/76/1037934976.db2.gz LWGYTZLFSLDOEM-MRXNPFEDSA-N 1 2 356.392 2.582 20 30 FFEDLO CCCCCCC/C=C/C[N@@H+]1CCn2c(CN3CCOCC3)nnc2C1 ZINC001208120671 1038054485 /nfs/dbraw/zinc/05/44/85/1038054485.db2.gz SYOVUPHXPUURDT-CMDGGOBGSA-N 1 2 361.534 2.843 20 30 FFEDLO CCCCCCC/C=C/C[N@H+]1CCn2c(CN3CCOCC3)nnc2C1 ZINC001208120671 1038054510 /nfs/dbraw/zinc/05/45/10/1038054510.db2.gz SYOVUPHXPUURDT-CMDGGOBGSA-N 1 2 361.534 2.843 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](Cc2cnc(F)cc2C)Cc2nnn(CC3CC3)c21 ZINC001231981943 1038074191 /nfs/dbraw/zinc/07/41/91/1038074191.db2.gz RRRYKMDOVNBZEZ-QGZVFWFLSA-N 1 2 371.460 2.833 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](Cc2cnc(F)cc2C)Cc2nnn(CC3CC3)c21 ZINC001231981943 1038074208 /nfs/dbraw/zinc/07/42/08/1038074208.db2.gz RRRYKMDOVNBZEZ-QGZVFWFLSA-N 1 2 371.460 2.833 20 30 FFEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(F)cc(O)cc1F)CC2 ZINC001276558884 1038086729 /nfs/dbraw/zinc/08/67/29/1038086729.db2.gz WRLMQVWIHWDSTO-HNNXBMFYSA-N 1 2 363.408 2.692 20 30 FFEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(F)c(O)c1F)CC2 ZINC001277992152 1038168964 /nfs/dbraw/zinc/16/89/64/1038168964.db2.gz DOMBCJGELJQXTO-CQSZACIVSA-N 1 2 363.408 2.692 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)c(Cl)c2)C[C@H]1O ZINC001232115292 1038179544 /nfs/dbraw/zinc/17/95/44/1038179544.db2.gz JTPYAIPIALJDIN-HZPDHXFCSA-N 1 2 365.861 2.672 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)C[C@H]1O ZINC001232115292 1038179545 /nfs/dbraw/zinc/17/95/45/1038179545.db2.gz JTPYAIPIALJDIN-HZPDHXFCSA-N 1 2 365.861 2.672 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(Cl)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001232118901 1038181431 /nfs/dbraw/zinc/18/14/31/1038181431.db2.gz SDWMMEQBWBRGLH-JKSUJKDBSA-N 1 2 365.861 2.936 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(Cl)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001232118901 1038181439 /nfs/dbraw/zinc/18/14/39/1038181439.db2.gz SDWMMEQBWBRGLH-JKSUJKDBSA-N 1 2 365.861 2.936 20 30 FFEDLO CC(C)NC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3O)C[C@H]2CC1 ZINC001278893992 1038227023 /nfs/dbraw/zinc/22/70/23/1038227023.db2.gz KFUQRPCBCFQHNY-CALCHBBNSA-N 1 2 356.470 2.526 20 30 FFEDLO CC(C)NC(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3O)C[C@H]2CC1 ZINC001278893992 1038227028 /nfs/dbraw/zinc/22/70/28/1038227028.db2.gz KFUQRPCBCFQHNY-CALCHBBNSA-N 1 2 356.470 2.526 20 30 FFEDLO N#CCCCN1CCC2(CC[NH+](Cc3cc(O)c(F)c(F)c3)CC2)C1=O ZINC001278009114 1038261547 /nfs/dbraw/zinc/26/15/47/1038261547.db2.gz HWILSXOYXITIPC-UHFFFAOYSA-N 1 2 363.408 2.789 20 30 FFEDLO CCC(=O)NC1CC[NH+](Cc2ccc(C#N)c(Br)c2)CC1 ZINC001236861687 1038315193 /nfs/dbraw/zinc/31/51/93/1038315193.db2.gz BPPZWJHUBBHEOS-UHFFFAOYSA-N 1 2 350.260 2.811 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(CC)c2)C[C@H]1C ZINC001208458460 1038327749 /nfs/dbraw/zinc/32/77/49/1038327749.db2.gz KMQDRBDLQMLARR-VQIMIIECSA-N 1 2 357.498 2.980 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(CC)c2)C[C@H]1C ZINC001208458460 1038327767 /nfs/dbraw/zinc/32/77/67/1038327767.db2.gz KMQDRBDLQMLARR-VQIMIIECSA-N 1 2 357.498 2.980 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)CCC)C2)c1 ZINC001208466367 1038332686 /nfs/dbraw/zinc/33/26/86/1038332686.db2.gz DYQIGIOTSNGTCM-VQIMIIECSA-N 1 2 369.509 2.869 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)CCC)C2)c1 ZINC001208466367 1038332697 /nfs/dbraw/zinc/33/26/97/1038332697.db2.gz DYQIGIOTSNGTCM-VQIMIIECSA-N 1 2 369.509 2.869 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(-n3ccnc3)c(Cl)c2)CC1 ZINC001236908346 1038346624 /nfs/dbraw/zinc/34/66/24/1038346624.db2.gz GJXGEDZOJLGPDM-UHFFFAOYSA-N 1 2 358.829 2.804 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccoc3)no2)C[C@H]1C ZINC001208509247 1038371232 /nfs/dbraw/zinc/37/12/32/1038371232.db2.gz XNSDZXXKRKSSDS-MUKKUYKPSA-N 1 2 358.442 2.868 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccoc3)no2)C[C@H]1C ZINC001208509247 1038371247 /nfs/dbraw/zinc/37/12/47/1038371247.db2.gz XNSDZXXKRKSSDS-MUKKUYKPSA-N 1 2 358.442 2.868 20 30 FFEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC001256644565 1038589991 /nfs/dbraw/zinc/58/99/91/1038589991.db2.gz XKECBIAZZOZHLI-AZUAARDMSA-N 1 2 364.445 2.798 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCCCO2)C1 ZINC001209047629 1038649972 /nfs/dbraw/zinc/64/99/72/1038649972.db2.gz XBCXEOZMUSRKBT-VHDGCEQUSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCCCO2)C1 ZINC001209047629 1038649975 /nfs/dbraw/zinc/64/99/75/1038649975.db2.gz XBCXEOZMUSRKBT-VHDGCEQUSA-N 1 2 359.308 2.681 20 30 FFEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC1CCC(c2ccc(C#N)cc2)CC1 ZINC001257013197 1038679249 /nfs/dbraw/zinc/67/92/49/1038679249.db2.gz CXJRVLUOPXCNOX-QLOJAFMTSA-N 1 2 366.465 2.692 20 30 FFEDLO COC(=O)[C@H](Cc1cncn1C)[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257013197 1038679255 /nfs/dbraw/zinc/67/92/55/1038679255.db2.gz CXJRVLUOPXCNOX-QLOJAFMTSA-N 1 2 366.465 2.692 20 30 FFEDLO C#CC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1)C(=O)OC ZINC001257178794 1038737555 /nfs/dbraw/zinc/73/75/55/1038737555.db2.gz IKOHESCOJDFAED-OWCLPIDISA-N 1 2 352.475 2.565 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1c[nH]c2ccc(C)cc12 ZINC001209492186 1038924426 /nfs/dbraw/zinc/92/44/26/1038924426.db2.gz GQWRTVVDBYYQSB-LJQANCHMSA-N 1 2 351.454 2.907 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1c[nH]c2ccc(C)cc12 ZINC001209492186 1038924455 /nfs/dbraw/zinc/92/44/55/1038924455.db2.gz GQWRTVVDBYYQSB-LJQANCHMSA-N 1 2 351.454 2.907 20 30 FFEDLO CC(C)(C)OC(=O)N1CCCC2(CCC(N3CC[NH2+]C[C@H]3C#N)CC2)C1 ZINC001257769974 1038969434 /nfs/dbraw/zinc/96/94/34/1038969434.db2.gz LVOCHVNIWFACCK-OHTSDLOESA-N 1 2 362.518 2.744 20 30 FFEDLO CC[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccccc1C#N ZINC001258247009 1039287957 /nfs/dbraw/zinc/28/79/57/1039287957.db2.gz FSALXLVTCJDECK-IBGZPJMESA-N 1 2 369.490 2.843 20 30 FFEDLO CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccccc1C#N ZINC001258247009 1039287968 /nfs/dbraw/zinc/28/79/68/1039287968.db2.gz FSALXLVTCJDECK-IBGZPJMESA-N 1 2 369.490 2.843 20 30 FFEDLO C=C(C)CN1CCC2(CC[NH+](CC(=O)c3cccc(C#N)c3)CC2)C1=O ZINC001276678869 1039391031 /nfs/dbraw/zinc/39/10/31/1039391031.db2.gz PVBBEHCCMQWRRU-UHFFFAOYSA-N 1 2 351.450 2.632 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1Cc1ccc(OC(F)(F)F)cc1Br ZINC001210120184 1039393967 /nfs/dbraw/zinc/39/39/67/1039393967.db2.gz ANIWOXGWLBIXMB-SNVBAGLBSA-N 1 2 364.165 2.645 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001210559840 1039608703 /nfs/dbraw/zinc/60/87/03/1039608703.db2.gz DECTVJRBGPZTTE-IAGOWNOFSA-N 1 2 360.564 2.608 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001210559840 1039608711 /nfs/dbraw/zinc/60/87/11/1039608711.db2.gz DECTVJRBGPZTTE-IAGOWNOFSA-N 1 2 360.564 2.608 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ncc(C)o3)C[C@H]2C)CCOCC1 ZINC001210679669 1039667242 /nfs/dbraw/zinc/66/72/42/1039667242.db2.gz HOHQIPOLEBSKQJ-DJIMGWMZSA-N 1 2 361.486 2.853 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ncc(C)o3)C[C@H]2C)CCOCC1 ZINC001210679669 1039667251 /nfs/dbraw/zinc/66/72/51/1039667251.db2.gz HOHQIPOLEBSKQJ-DJIMGWMZSA-N 1 2 361.486 2.853 20 30 FFEDLO Cc1cccn2c(CNS(=O)(=O)c3ccc(C#N)cc3Cl)c[nH+]c12 ZINC001259113937 1039721605 /nfs/dbraw/zinc/72/16/05/1039721605.db2.gz OFQQNAMDICFQME-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2OCCOC)C1 ZINC001211171673 1039977718 /nfs/dbraw/zinc/97/77/18/1039977718.db2.gz LGQNSRYOTRSDBC-CZUORRHYSA-N 1 2 352.862 2.514 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2OCCOC)C1 ZINC001211171673 1039977726 /nfs/dbraw/zinc/97/77/26/1039977726.db2.gz LGQNSRYOTRSDBC-CZUORRHYSA-N 1 2 352.862 2.514 20 30 FFEDLO C=C[C@H](O)CNc1ccc[nH+]c1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001253571508 1040245698 /nfs/dbraw/zinc/24/56/98/1040245698.db2.gz DUDGZRIWWGKNNI-HNNXBMFYSA-N 1 2 362.474 2.534 20 30 FFEDLO N#Cc1cc(F)cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CCCC(F)(F)F)c1 ZINC001278735527 1040310259 /nfs/dbraw/zinc/31/02/59/1040310259.db2.gz XRAMYGBSUVLZIN-CALCHBBNSA-N 1 2 371.378 2.925 20 30 FFEDLO N#Cc1cc(F)cc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CCCC(F)(F)F)c1 ZINC001278735527 1040310273 /nfs/dbraw/zinc/31/02/73/1040310273.db2.gz XRAMYGBSUVLZIN-CALCHBBNSA-N 1 2 371.378 2.925 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213260968 1040386508 /nfs/dbraw/zinc/38/65/08/1040386508.db2.gz YMPXLJFPGLPVKV-QZTJIDSGSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213260968 1040386521 /nfs/dbraw/zinc/38/65/21/1040386521.db2.gz YMPXLJFPGLPVKV-QZTJIDSGSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1OC ZINC001213317871 1040443759 /nfs/dbraw/zinc/44/37/59/1040443759.db2.gz YOFKFTATFCTQSV-MORSLUCNSA-N 1 2 352.425 2.883 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1OC ZINC001213317871 1040443761 /nfs/dbraw/zinc/44/37/61/1040443761.db2.gz YOFKFTATFCTQSV-MORSLUCNSA-N 1 2 352.425 2.883 20 30 FFEDLO CCn1ccnc1C[N@@H+]1C[C@@H]2CCN(Cc3ccc(F)cc3C#N)[C@@H]2C1 ZINC001278749523 1040456283 /nfs/dbraw/zinc/45/62/83/1040456283.db2.gz MYJBGBBXWFRLKX-QFBILLFUSA-N 1 2 353.445 2.620 20 30 FFEDLO CCn1ccnc1C[N@H+]1C[C@@H]2CCN(Cc3ccc(F)cc3C#N)[C@@H]2C1 ZINC001278749523 1040456289 /nfs/dbraw/zinc/45/62/89/1040456289.db2.gz MYJBGBBXWFRLKX-QFBILLFUSA-N 1 2 353.445 2.620 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c1OC ZINC001248887527 1040493156 /nfs/dbraw/zinc/49/31/56/1040493156.db2.gz TYKNPVKXDPBDBF-UHFFFAOYSA-N 1 2 365.433 2.676 20 30 FFEDLO CCCCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2OC)CC1 ZINC001213385604 1040498565 /nfs/dbraw/zinc/49/85/65/1040498565.db2.gz SFFFJLPDNHGHFM-RTBURBONSA-N 1 2 355.482 2.844 20 30 FFEDLO CCCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2OC)CC1 ZINC001213385604 1040498574 /nfs/dbraw/zinc/49/85/74/1040498574.db2.gz SFFFJLPDNHGHFM-RTBURBONSA-N 1 2 355.482 2.844 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213389897 1040501315 /nfs/dbraw/zinc/50/13/15/1040501315.db2.gz KRKRKNYQBUAFGY-GGPKGHCWSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213389897 1040501336 /nfs/dbraw/zinc/50/13/36/1040501336.db2.gz KRKRKNYQBUAFGY-GGPKGHCWSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2nc3ccccc3o2)C[C@H]1OC ZINC001213390040 1040503253 /nfs/dbraw/zinc/50/32/53/1040503253.db2.gz OZKGWZATSGWHHQ-MDYRTPRTSA-N 1 2 357.454 2.746 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2nc3ccccc3o2)C[C@H]1OC ZINC001213390040 1040503274 /nfs/dbraw/zinc/50/32/74/1040503274.db2.gz OZKGWZATSGWHHQ-MDYRTPRTSA-N 1 2 357.454 2.746 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CCCC(F)(F)F ZINC001213482788 1040593853 /nfs/dbraw/zinc/59/38/53/1040593853.db2.gz GCQDZJIYNLYULH-HZPDHXFCSA-N 1 2 369.387 2.606 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CCCC(F)(F)F ZINC001213482788 1040593866 /nfs/dbraw/zinc/59/38/66/1040593866.db2.gz GCQDZJIYNLYULH-HZPDHXFCSA-N 1 2 369.387 2.606 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2oc(CCC)nc2C)C[C@H]1OC ZINC001213496144 1040610477 /nfs/dbraw/zinc/61/04/77/1040610477.db2.gz JJLGDMLRDDOICK-NVXWUHKLSA-N 1 2 363.502 2.853 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2oc(CCC)nc2C)C[C@H]1OC ZINC001213496144 1040610483 /nfs/dbraw/zinc/61/04/83/1040610483.db2.gz JJLGDMLRDDOICK-NVXWUHKLSA-N 1 2 363.502 2.853 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](CCC#N)Cc2cccnc2)CC1=O ZINC001254245602 1040639179 /nfs/dbraw/zinc/63/91/79/1040639179.db2.gz LNXOYRSIHZSHEG-MRXNPFEDSA-N 1 2 358.442 2.723 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](CCC#N)Cc2cccnc2)CC1=O ZINC001254245602 1040639189 /nfs/dbraw/zinc/63/91/89/1040639189.db2.gz LNXOYRSIHZSHEG-MRXNPFEDSA-N 1 2 358.442 2.723 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC001213541515 1040660390 /nfs/dbraw/zinc/66/03/90/1040660390.db2.gz AWCJPXRGAUETOH-QGZVFWFLSA-N 1 2 354.475 2.735 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+]([C@H]2Cc3ccc(Br)cc3C2)CC1 ZINC001254289348 1040660699 /nfs/dbraw/zinc/66/06/99/1040660699.db2.gz SSSLTDFUOPFBQX-HNNXBMFYSA-N 1 2 363.255 2.695 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cn(C)nc1[C@H](C)CC ZINC001249406648 1040730884 /nfs/dbraw/zinc/73/08/84/1040730884.db2.gz QYPUMXKVIMIPQQ-CRAIPNDOSA-N 1 2 357.502 2.969 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cn(C)nc1[C@H](C)CC ZINC001249406648 1040730899 /nfs/dbraw/zinc/73/08/99/1040730899.db2.gz QYPUMXKVIMIPQQ-CRAIPNDOSA-N 1 2 357.502 2.969 20 30 FFEDLO CC[N@H+]1[C@H](C)CN(S(=O)(=O)c2c(C#N)sc3ccccc32)C[C@@H]1C ZINC001213630663 1040739181 /nfs/dbraw/zinc/73/91/81/1040739181.db2.gz HRUWRFXXWODJPP-BETUJISGSA-N 1 2 363.508 2.876 20 30 FFEDLO CC[N@@H+]1[C@H](C)CN(S(=O)(=O)c2c(C#N)sc3ccccc32)C[C@@H]1C ZINC001213630663 1040739192 /nfs/dbraw/zinc/73/91/92/1040739192.db2.gz HRUWRFXXWODJPP-BETUJISGSA-N 1 2 363.508 2.876 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2OC)CCCC1 ZINC001213659497 1040770187 /nfs/dbraw/zinc/77/01/87/1040770187.db2.gz MAJNLFIOZQJGDB-WOJBJXKFSA-N 1 2 354.494 2.824 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2OC)CCCC1 ZINC001213659497 1040770202 /nfs/dbraw/zinc/77/02/02/1040770202.db2.gz MAJNLFIOZQJGDB-WOJBJXKFSA-N 1 2 354.494 2.824 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2c(C)sc3c2cccc3C)C1 ZINC001213680053 1040787068 /nfs/dbraw/zinc/78/70/68/1040787068.db2.gz KMEUWIFZRQHIAZ-HNNXBMFYSA-N 1 2 362.520 2.894 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(C)sc3c2cccc3C)C1 ZINC001213680053 1040787084 /nfs/dbraw/zinc/78/70/84/1040787084.db2.gz KMEUWIFZRQHIAZ-HNNXBMFYSA-N 1 2 362.520 2.894 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@@H](C)CC(C)C ZINC001213708613 1040815805 /nfs/dbraw/zinc/81/58/05/1040815805.db2.gz PPKUOULLNCMMFZ-CEWLAPEOSA-N 1 2 356.510 2.926 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@@H](C)CC(C)C ZINC001213708613 1040815818 /nfs/dbraw/zinc/81/58/18/1040815818.db2.gz PPKUOULLNCMMFZ-CEWLAPEOSA-N 1 2 356.510 2.926 20 30 FFEDLO Cc1ccccc1S(=O)(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001254661807 1040860979 /nfs/dbraw/zinc/86/09/79/1040860979.db2.gz WHXHXFAKMTVAQK-UHFFFAOYSA-N 1 2 369.490 2.832 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CCc1ccccc1 ZINC001213776588 1040895561 /nfs/dbraw/zinc/89/55/61/1040895561.db2.gz CSPPQXLYPVUHAT-NHCUHLMSSA-N 1 2 363.461 2.506 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CCc1ccccc1 ZINC001213776588 1040895577 /nfs/dbraw/zinc/89/55/77/1040895577.db2.gz CSPPQXLYPVUHAT-NHCUHLMSSA-N 1 2 363.461 2.506 20 30 FFEDLO CC(C)c1[nH]cc(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[nH+]1 ZINC001213849318 1040991956 /nfs/dbraw/zinc/99/19/56/1040991956.db2.gz LREAZKHSDMDDBU-UHFFFAOYSA-N 1 2 372.372 2.902 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1OC)c1ccccc1 ZINC001213898035 1041045949 /nfs/dbraw/zinc/04/59/49/1041045949.db2.gz VEDRKEPBKNJHKJ-NSISKUIASA-N 1 2 369.465 2.658 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1OC)c1ccccc1 ZINC001213898035 1041045961 /nfs/dbraw/zinc/04/59/61/1041045961.db2.gz VEDRKEPBKNJHKJ-NSISKUIASA-N 1 2 369.465 2.658 20 30 FFEDLO N#Cc1cc(Cl)ccc1CN1C[C@@H]2C[N@@H+](Cc3ccc[nH]3)C[C@H](C1)O2 ZINC001278867718 1041356540 /nfs/dbraw/zinc/35/65/40/1041356540.db2.gz ZOCZQRKOHQSVQC-KDURUIRLSA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1cc(Cl)ccc1CN1C[C@@H]2C[N@H+](Cc3ccc[nH]3)C[C@H](C1)O2 ZINC001278867718 1041356544 /nfs/dbraw/zinc/35/65/44/1041356544.db2.gz ZOCZQRKOHQSVQC-KDURUIRLSA-N 1 2 356.857 2.625 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC001215324519 1041737484 /nfs/dbraw/zinc/73/74/84/1041737484.db2.gz BTKJHVFHMUFWCG-NVXWUHKLSA-N 1 2 370.453 2.850 20 30 FFEDLO COc1ccc(C[NH+]2CCOCC2)cc1Nc1c(C#N)cnn1C(C)C ZINC001215547039 1041822883 /nfs/dbraw/zinc/82/28/83/1041822883.db2.gz HGAWKHZXXFHPRE-UHFFFAOYSA-N 1 2 355.442 2.920 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@@H](C2CCCCC2)C1 ZINC001262947167 1041982368 /nfs/dbraw/zinc/98/23/68/1041982368.db2.gz GUAQVDYQFBUSFY-QRVBRYPASA-N 1 2 373.545 2.998 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H](C2CCCCC2)C1 ZINC001262947167 1041982372 /nfs/dbraw/zinc/98/23/72/1041982372.db2.gz GUAQVDYQFBUSFY-QRVBRYPASA-N 1 2 373.545 2.998 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(C=C)CC1 ZINC001262978129 1042003945 /nfs/dbraw/zinc/00/39/45/1042003945.db2.gz XMLRDLFXZPEKQX-UHFFFAOYSA-N 1 2 354.502 2.960 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC2(CCC2)OC[C@@H]1C ZINC001263025061 1042042802 /nfs/dbraw/zinc/04/28/02/1042042802.db2.gz SAPYCPJSHGBJDW-INIZCTEOSA-N 1 2 372.517 2.539 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001216519247 1042047392 /nfs/dbraw/zinc/04/73/92/1042047392.db2.gz CUPQIOVNAIYNLZ-HZPDHXFCSA-N 1 2 365.522 2.823 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1CCOC ZINC001263253417 1042200891 /nfs/dbraw/zinc/20/08/91/1042200891.db2.gz ODLVYEJGLOURDF-QZTJIDSGSA-N 1 2 370.501 2.749 20 30 FFEDLO C=C(C)Cn1c(Cc2ccoc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001263340256 1042249277 /nfs/dbraw/zinc/24/92/77/1042249277.db2.gz GMDCNWRSAIQBHU-UHFFFAOYSA-N 1 2 364.453 2.760 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001263343000 1042251196 /nfs/dbraw/zinc/25/11/96/1042251196.db2.gz LQWXXDAVQYGAAL-FJIDUMEYSA-N 1 2 357.502 2.626 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001263343000 1042251202 /nfs/dbraw/zinc/25/12/02/1042251202.db2.gz LQWXXDAVQYGAAL-FJIDUMEYSA-N 1 2 357.502 2.626 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@@H](C#N)C1 ZINC001263394699 1042278615 /nfs/dbraw/zinc/27/86/15/1042278615.db2.gz CBZCFWQMKMKNNJ-KSZLIROESA-N 1 2 372.517 2.600 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@@H](C#N)C1 ZINC001263394699 1042278618 /nfs/dbraw/zinc/27/86/18/1042278618.db2.gz CBZCFWQMKMKNNJ-KSZLIROESA-N 1 2 372.517 2.600 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@H](C#N)C1 ZINC001263394701 1042278752 /nfs/dbraw/zinc/27/87/52/1042278752.db2.gz CBZCFWQMKMKNNJ-SQNIBIBYSA-N 1 2 372.517 2.600 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@H](C#N)C1 ZINC001263394701 1042278755 /nfs/dbraw/zinc/27/87/55/1042278755.db2.gz CBZCFWQMKMKNNJ-SQNIBIBYSA-N 1 2 372.517 2.600 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)[C@@H]1C ZINC001264134558 1042631091 /nfs/dbraw/zinc/63/10/91/1042631091.db2.gz QNVFBELNMSKHCD-FMKPAKJESA-N 1 2 351.878 2.795 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)[C@@H]1C ZINC001264134558 1042631094 /nfs/dbraw/zinc/63/10/94/1042631094.db2.gz QNVFBELNMSKHCD-FMKPAKJESA-N 1 2 351.878 2.795 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2sccc2Br)[C@@H]1C ZINC001264135953 1042631623 /nfs/dbraw/zinc/63/16/23/1042631623.db2.gz XPDNOJKLIMMSJO-UMNHJUIQSA-N 1 2 356.289 2.749 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2sccc2Br)[C@@H]1C ZINC001264135953 1042631625 /nfs/dbraw/zinc/63/16/25/1042631625.db2.gz XPDNOJKLIMMSJO-UMNHJUIQSA-N 1 2 356.289 2.749 20 30 FFEDLO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2csc(-c3ncccn3)n2)[C@@H]1C ZINC001264693448 1042781134 /nfs/dbraw/zinc/78/11/34/1042781134.db2.gz LGXHNKVNOFWEQF-HIFRSBDPSA-N 1 2 357.483 2.645 20 30 FFEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2csc(-c3ncccn3)n2)[C@@H]1C ZINC001264693448 1042781136 /nfs/dbraw/zinc/78/11/36/1042781136.db2.gz LGXHNKVNOFWEQF-HIFRSBDPSA-N 1 2 357.483 2.645 20 30 FFEDLO Cc1cc(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)cc(C)c1F ZINC001279149055 1042920092 /nfs/dbraw/zinc/92/00/92/1042920092.db2.gz XSDWMETVNJJEGY-UHFFFAOYSA-N 1 2 352.457 2.971 20 30 FFEDLO CC(C)NC(=O)N1CC2(C1)CCC[N@H+](Cc1cc(F)c(C#N)c(F)c1)C2 ZINC001279312103 1042995282 /nfs/dbraw/zinc/99/52/82/1042995282.db2.gz ISMVWQDCPPZBEK-UHFFFAOYSA-N 1 2 362.424 2.852 20 30 FFEDLO CC(C)NC(=O)N1CC2(C1)CCC[N@@H+](Cc1cc(F)c(C#N)c(F)c1)C2 ZINC001279312103 1042995285 /nfs/dbraw/zinc/99/52/85/1042995285.db2.gz ISMVWQDCPPZBEK-UHFFFAOYSA-N 1 2 362.424 2.852 20 30 FFEDLO Cc1csc(CN2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)n1 ZINC001279326421 1043001703 /nfs/dbraw/zinc/00/17/03/1043001703.db2.gz DQBOGMJUUJXGLB-UHFFFAOYSA-N 1 2 355.511 2.760 20 30 FFEDLO Cc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(Cc2ccc(C#N)c(Cl)c2)C3)n(C)n1 ZINC001279469739 1043153381 /nfs/dbraw/zinc/15/33/81/1043153381.db2.gz LMCYXVOKBNEZOY-APWZRJJASA-N 1 2 369.900 2.960 20 30 FFEDLO Cc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(Cc2ccc(C#N)c(Cl)c2)C3)n(C)n1 ZINC001279469739 1043153383 /nfs/dbraw/zinc/15/33/83/1043153383.db2.gz LMCYXVOKBNEZOY-APWZRJJASA-N 1 2 369.900 2.960 20 30 FFEDLO COc1ccc(C)cc1CN1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001279581700 1043290966 /nfs/dbraw/zinc/29/09/66/1043290966.db2.gz DLBRGKRGASUUDS-UHFFFAOYSA-N 1 2 350.466 2.532 20 30 FFEDLO N#Cc1cc(Cl)cc(C[NH+]2CCC(N3CCCCS3(=O)=O)CC2)c1 ZINC001237755652 1043344009 /nfs/dbraw/zinc/34/40/09/1043344009.db2.gz SKLCSALUDRFKRW-UHFFFAOYSA-N 1 2 367.902 2.602 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2[nH]c(-c3ccc[nH]3)cc2OC)C1 ZINC001237880285 1043413431 /nfs/dbraw/zinc/41/34/31/1043413431.db2.gz NTTIJOXQOVJTQR-CQSZACIVSA-N 1 2 358.442 2.895 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2[nH]c(-c3ccc[nH]3)cc2OC)C1 ZINC001237880285 1043413434 /nfs/dbraw/zinc/41/34/34/1043413434.db2.gz NTTIJOXQOVJTQR-CQSZACIVSA-N 1 2 358.442 2.895 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)c4ccc(Cl)c(F)c4)C3)C2)cc1C#N ZINC001278219157 1043658518 /nfs/dbraw/zinc/65/85/18/1043658518.db2.gz MCQRZHWHOCXJSD-UHFFFAOYSA-N 1 2 372.831 2.647 20 30 FFEDLO N#Cc1cc(C[N@@H+]2C[C@@H]3OCCN(Cc4ccc[nH]4)[C@H]3C2)ccc1Cl ZINC001280074689 1044172535 /nfs/dbraw/zinc/17/25/35/1044172535.db2.gz QNLCXSHEQGMIEI-OALUTQOASA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1cc(C[N@H+]2C[C@@H]3OCCN(Cc4ccc[nH]4)[C@H]3C2)ccc1Cl ZINC001280074689 1044172542 /nfs/dbraw/zinc/17/25/42/1044172542.db2.gz QNLCXSHEQGMIEI-OALUTQOASA-N 1 2 356.857 2.625 20 30 FFEDLO N#CCC1CN(C(=O)[C@@]23C[C@@H]2CC[N@H+]3Cc2cnc3[nH]ccc3c2Cl)C1 ZINC001280214811 1044407766 /nfs/dbraw/zinc/40/77/66/1044407766.db2.gz JKCWLBYABKGIKT-IFXJQAMLSA-N 1 2 369.856 2.504 20 30 FFEDLO N#CCC1CN(C(=O)[C@@]23C[C@@H]2CC[N@@H+]3Cc2cnc3[nH]ccc3c2Cl)C1 ZINC001280214811 1044407769 /nfs/dbraw/zinc/40/77/69/1044407769.db2.gz JKCWLBYABKGIKT-IFXJQAMLSA-N 1 2 369.856 2.504 20 30 FFEDLO CC(C)C#CC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccccc2C(C)C)[C@@H]1C ZINC001316781067 1044944759 /nfs/dbraw/zinc/94/47/59/1044944759.db2.gz HJKAPUBOQKGIFW-MJGOQNOKSA-N 1 2 369.509 2.987 20 30 FFEDLO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(C)C)[C@@H]1C ZINC001316781067 1044944768 /nfs/dbraw/zinc/94/47/68/1044944768.db2.gz HJKAPUBOQKGIFW-MJGOQNOKSA-N 1 2 369.509 2.987 20 30 FFEDLO C[NH+](C)c1ccc(N2CCC(N=Nc3nncc(N)c3Cl)CC2)cc1 ZINC001319196646 1045064184 /nfs/dbraw/zinc/06/41/84/1045064184.db2.gz QPQOKXDKXONKGG-UHFFFAOYSA-N 1 2 359.865 2.847 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001319222256 1045072273 /nfs/dbraw/zinc/07/22/73/1045072273.db2.gz PVCOLXHLSPYPGM-KRWDZBQOSA-N 1 2 366.465 2.596 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)CCC1 ZINC001281762793 1045087271 /nfs/dbraw/zinc/08/72/71/1045087271.db2.gz TYZNMKWCXNKKRM-IXDOHACOSA-N 1 2 358.486 2.544 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2Cc2cc(F)ccc2F)CC1 ZINC001539432239 1070637101 /nfs/dbraw/zinc/63/71/01/1070637101.db2.gz ZBIYWEGNKTUALM-OAHLLOKOSA-N 1 2 373.451 2.873 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2CCCSc2ccccc2)CC1 ZINC001539451833 1070640768 /nfs/dbraw/zinc/64/07/68/1070640768.db2.gz BQUCXOZQWHOULL-UHFFFAOYSA-N 1 2 369.538 2.778 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 ZINC001320024927 1045330681 /nfs/dbraw/zinc/33/06/81/1045330681.db2.gz GWKUUXZOLMBBPO-SWLSCSKDSA-N 1 2 368.355 2.614 20 30 FFEDLO C=CCO[C@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 ZINC001320024927 1045330685 /nfs/dbraw/zinc/33/06/85/1045330685.db2.gz GWKUUXZOLMBBPO-SWLSCSKDSA-N 1 2 368.355 2.614 20 30 FFEDLO C=C[C@@H](COC)NC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001320295005 1045385309 /nfs/dbraw/zinc/38/53/09/1045385309.db2.gz SVNOLHBIKRBPMP-JKSUJKDBSA-N 1 2 369.868 2.944 20 30 FFEDLO C=C[C@@H](COC)NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001320295005 1045385315 /nfs/dbraw/zinc/38/53/15/1045385315.db2.gz SVNOLHBIKRBPMP-JKSUJKDBSA-N 1 2 369.868 2.944 20 30 FFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(CC#N)c2)[C@H]1c1ccc(F)cc1 ZINC001321080052 1045537546 /nfs/dbraw/zinc/53/75/46/1045537546.db2.gz VLKOWJHPJILUIK-RTBURBONSA-N 1 2 373.453 2.615 20 30 FFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc(CC#N)c2)[C@H]1c1ccc(F)cc1 ZINC001321080052 1045537552 /nfs/dbraw/zinc/53/75/52/1045537552.db2.gz VLKOWJHPJILUIK-RTBURBONSA-N 1 2 373.453 2.615 20 30 FFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(CC#N)c2)[C@@H]1c1ccc(F)cc1 ZINC001321080049 1045537882 /nfs/dbraw/zinc/53/78/82/1045537882.db2.gz VLKOWJHPJILUIK-MOPGFXCFSA-N 1 2 373.453 2.615 20 30 FFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc(CC#N)c2)[C@@H]1c1ccc(F)cc1 ZINC001321080049 1045537892 /nfs/dbraw/zinc/53/78/92/1045537892.db2.gz VLKOWJHPJILUIK-MOPGFXCFSA-N 1 2 373.453 2.615 20 30 FFEDLO CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc[nH+]c2N(C)C)cc1 ZINC001323088259 1046340250 /nfs/dbraw/zinc/34/02/50/1046340250.db2.gz QRFQUIHYIIUZMV-FMIVXFBMSA-N 1 2 359.451 2.805 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc(CC)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001540134081 1070771582 /nfs/dbraw/zinc/77/15/82/1070771582.db2.gz RVHCUIKOQURNID-GOSISDBHSA-N 1 2 369.513 2.754 20 30 FFEDLO C=CCN(CC=C)c1nnc(CC2CCCC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001540174282 1070778537 /nfs/dbraw/zinc/77/85/37/1070778537.db2.gz LCGJIMJOTRVOQP-GOSISDBHSA-N 1 2 373.545 2.910 20 30 FFEDLO C=CCN(CC=C)c1nnc(CC2CCCC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001540174282 1070778546 /nfs/dbraw/zinc/77/85/46/1070778546.db2.gz LCGJIMJOTRVOQP-GOSISDBHSA-N 1 2 373.545 2.910 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001285109219 1046721158 /nfs/dbraw/zinc/72/11/58/1046721158.db2.gz IRPKQLBMKQEJGF-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001285109219 1046721171 /nfs/dbraw/zinc/72/11/71/1046721171.db2.gz IRPKQLBMKQEJGF-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO C#CCN(C)c1nnc(Cc2ccncc2)n1CCCc1cccc(C)[nH+]1 ZINC001286377279 1047094687 /nfs/dbraw/zinc/09/46/87/1047094687.db2.gz UIUABAFFGXVLCY-UHFFFAOYSA-N 1 2 360.465 2.670 20 30 FFEDLO C#CCN(CC)c1nnc(-c2cccnc2)n1CCc1cn2ccccc2[nH+]1 ZINC001286441659 1047111314 /nfs/dbraw/zinc/11/13/14/1047111314.db2.gz BFIVCJFBGQEAOJ-UHFFFAOYSA-N 1 2 371.448 2.690 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2Cc2ccc(C)cc2C)CC1 ZINC001286480307 1047120688 /nfs/dbraw/zinc/12/06/88/1047120688.db2.gz VMBFYDIAQHDGRU-UHFFFAOYSA-N 1 2 363.509 2.966 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CCC(C)(C)C2CC2)CC1 ZINC001286485255 1047122889 /nfs/dbraw/zinc/12/28/89/1047122889.db2.gz GVVIDKDHNNFWEO-GOSISDBHSA-N 1 2 371.529 2.711 20 30 FFEDLO C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CCCNc1cccc[nH+]1 ZINC001286972402 1047196716 /nfs/dbraw/zinc/19/67/16/1047196716.db2.gz RLURZPUGWUHSKW-HZPDHXFCSA-N 1 2 369.473 2.623 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001289354399 1047640810 /nfs/dbraw/zinc/64/08/10/1047640810.db2.gz KQQHMCAPKOMMJY-BZUAXINKSA-N 1 2 354.454 2.513 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)CCCC1 ZINC001289816591 1047748926 /nfs/dbraw/zinc/74/89/26/1047748926.db2.gz ZAMORIOYMDVOQW-SJLPKXTDSA-N 1 2 370.497 2.538 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)CCCC1 ZINC001289816591 1047748933 /nfs/dbraw/zinc/74/89/33/1047748933.db2.gz ZAMORIOYMDVOQW-SJLPKXTDSA-N 1 2 370.497 2.538 20 30 FFEDLO N#Cc1cc2cccnc2nc1N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001327630732 1047974390 /nfs/dbraw/zinc/97/43/90/1047974390.db2.gz CMMLIPYQDFDTPY-UHFFFAOYSA-N 1 2 374.404 2.732 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC001290408351 1048096365 /nfs/dbraw/zinc/09/63/65/1048096365.db2.gz KRCWPFWPIXKDFO-PMACEKPBSA-N 1 2 358.482 2.711 20 30 FFEDLO O=C(/C=C\c1ccc(F)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001540701510 1070972013 /nfs/dbraw/zinc/97/20/13/1070972013.db2.gz JPSRQGHCXYMJCV-TWGQIWQCSA-N 1 2 363.392 2.969 20 30 FFEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC ZINC001329440566 1048718872 /nfs/dbraw/zinc/71/88/72/1048718872.db2.gz JEOSIMORAGNKQA-JLJPHGGASA-N 1 2 366.889 2.996 20 30 FFEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC ZINC001329440566 1048718886 /nfs/dbraw/zinc/71/88/86/1048718886.db2.gz JEOSIMORAGNKQA-JLJPHGGASA-N 1 2 366.889 2.996 20 30 FFEDLO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)O[C@@H](C)C(=O)N(C)CCC#N)c1 ZINC001330155239 1049060450 /nfs/dbraw/zinc/06/04/50/1049060450.db2.gz GXAMAQFCJLVYBB-PKOBYXMFSA-N 1 2 371.481 2.653 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)O[C@@H](C)C(=O)N(C)CCC#N)c1 ZINC001330155239 1049060461 /nfs/dbraw/zinc/06/04/61/1049060461.db2.gz GXAMAQFCJLVYBB-PKOBYXMFSA-N 1 2 371.481 2.653 20 30 FFEDLO CSc1ccc(CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1C#N ZINC001330950172 1049407185 /nfs/dbraw/zinc/40/71/85/1049407185.db2.gz AZLOHPOSRYUFGZ-AWEZNQCLSA-N 1 2 355.467 2.713 20 30 FFEDLO C#CC1CCC(c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CC)CC1 ZINC001339738924 1050163999 /nfs/dbraw/zinc/16/39/99/1050163999.db2.gz BENQVYOECXMMGQ-UHFFFAOYSA-N 1 2 364.497 2.927 20 30 FFEDLO C=CCn1c(-c2cccnc2)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001341932665 1050530234 /nfs/dbraw/zinc/53/02/34/1050530234.db2.gz GTQSUDZAPHIZPK-UHFFFAOYSA-N 1 2 361.453 2.550 20 30 FFEDLO C=CCn1c(CC(C)(C)C#N)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001340251819 1050658185 /nfs/dbraw/zinc/65/81/85/1050658185.db2.gz PRTASVLBRWVAKU-UHFFFAOYSA-N 1 2 365.485 2.580 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(CC1CCCCC1)C1CC1 ZINC001342061122 1050658541 /nfs/dbraw/zinc/65/85/41/1050658541.db2.gz CTWAQFGSDXSAML-MSOLQXFVSA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(CC1CCCCC1)C1CC1 ZINC001342061122 1050658547 /nfs/dbraw/zinc/65/85/47/1050658547.db2.gz CTWAQFGSDXSAML-MSOLQXFVSA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001340264696 1050669966 /nfs/dbraw/zinc/66/99/66/1050669966.db2.gz UAOVAJPVZCWVRK-ZDUSSCGKSA-N 1 2 373.423 2.515 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001340264696 1050669970 /nfs/dbraw/zinc/66/99/70/1050669970.db2.gz UAOVAJPVZCWVRK-ZDUSSCGKSA-N 1 2 373.423 2.515 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001340389748 1050783574 /nfs/dbraw/zinc/78/35/74/1050783574.db2.gz JVUCNASTXJIUMC-FUHWJXTLSA-N 1 2 369.517 2.868 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001340389748 1050783579 /nfs/dbraw/zinc/78/35/79/1050783579.db2.gz JVUCNASTXJIUMC-FUHWJXTLSA-N 1 2 369.517 2.868 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H](O)c3ccc(C#N)cc3)n2)C1 ZINC001542203681 1071188754 /nfs/dbraw/zinc/18/87/54/1071188754.db2.gz OTXFJRNUKUFYGC-CXAGYDPISA-N 1 2 370.478 2.919 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H](O)c3ccc(C#N)cc3)n2)C1 ZINC001542203681 1071188761 /nfs/dbraw/zinc/18/87/61/1071188761.db2.gz OTXFJRNUKUFYGC-CXAGYDPISA-N 1 2 370.478 2.919 20 30 FFEDLO C#CC1CCN(c2nnc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)n2CC(=C)C)CC1 ZINC001342344267 1050939920 /nfs/dbraw/zinc/93/99/20/1050939920.db2.gz NFOIFEKRHHIXOA-RBUKOAKNSA-N 1 2 369.513 2.630 20 30 FFEDLO C#CC1CCN(c2nnc([C@H]3C[N@H+]4CCCC[C@H]4CO3)n2CC(=C)C)CC1 ZINC001342344267 1050939936 /nfs/dbraw/zinc/93/99/36/1050939936.db2.gz NFOIFEKRHHIXOA-RBUKOAKNSA-N 1 2 369.513 2.630 20 30 FFEDLO C=CCn1c(-c2n[nH]cc2C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001342351898 1050945949 /nfs/dbraw/zinc/94/59/49/1050945949.db2.gz FKBRICNLCXIZPJ-UHFFFAOYSA-N 1 2 364.457 2.639 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[C@@H]2C)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001342761844 1051377365 /nfs/dbraw/zinc/37/73/65/1051377365.db2.gz OSQCYTNOPZOXEX-FUHWJXTLSA-N 1 2 352.486 2.695 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC(=C)C ZINC001343000153 1051616296 /nfs/dbraw/zinc/61/62/96/1051616296.db2.gz QXQFPQDXGIWMIQ-QYZOEREBSA-N 1 2 369.513 2.772 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC(=C)C ZINC001343000153 1051616303 /nfs/dbraw/zinc/61/63/03/1051616303.db2.gz QXQFPQDXGIWMIQ-QYZOEREBSA-N 1 2 369.513 2.772 20 30 FFEDLO CCCCN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@@H]1CCCO1 ZINC001343072037 1051689325 /nfs/dbraw/zinc/68/93/25/1051689325.db2.gz PEKMDDYQTLHCCW-SFHVURJKSA-N 1 2 374.533 2.786 20 30 FFEDLO CC[C@@H](C)c1nnc(N(CCC#N)CC2CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001305406814 1051880927 /nfs/dbraw/zinc/88/09/27/1051880927.db2.gz LAIUEHLOXPZCAX-SJORKVTESA-N 1 2 374.533 2.642 20 30 FFEDLO Cc1cccc(CCCn2c([C@H]3CCOC3)nnc2N(C)[C@H](C)CC#N)[nH+]1 ZINC001542645932 1071273534 /nfs/dbraw/zinc/27/35/34/1071273534.db2.gz ZZLFKAHDSKINFF-SJORKVTESA-N 1 2 368.485 2.857 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001343299732 1052145937 /nfs/dbraw/zinc/14/59/37/1052145937.db2.gz URIKCBHMYZYKND-SFHVURJKSA-N 1 2 359.518 2.703 20 30 FFEDLO COc1cc(C#N)ccc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC001345067656 1052236805 /nfs/dbraw/zinc/23/68/05/1052236805.db2.gz ZZXYNFRTTRBWOU-UHFFFAOYSA-N 1 2 350.422 2.882 20 30 FFEDLO CN(CCc1cccc(C#N)c1)c1nnc(C[NH+]2CCCC2)n1CC1CC1 ZINC001345216584 1052323600 /nfs/dbraw/zinc/32/36/00/1052323600.db2.gz FTBBOUHQFRPIIW-UHFFFAOYSA-N 1 2 364.497 2.834 20 30 FFEDLO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3Br)C[C@@H]21 ZINC001308073429 1052399079 /nfs/dbraw/zinc/39/90/79/1052399079.db2.gz QHNZYXHHFBQJGV-IJEWVQPXSA-N 1 2 363.255 2.952 20 30 FFEDLO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3Br)C[C@@H]21 ZINC001308073429 1052399082 /nfs/dbraw/zinc/39/90/82/1052399082.db2.gz QHNZYXHHFBQJGV-IJEWVQPXSA-N 1 2 363.255 2.952 20 30 FFEDLO C#CC[N@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)C(C)C ZINC001308096719 1052405172 /nfs/dbraw/zinc/40/51/72/1052405172.db2.gz SBYIJCZUHAREGW-UHFFFAOYSA-N 1 2 363.461 2.899 20 30 FFEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)C(C)C ZINC001308096719 1052405174 /nfs/dbraw/zinc/40/51/74/1052405174.db2.gz SBYIJCZUHAREGW-UHFFFAOYSA-N 1 2 363.461 2.899 20 30 FFEDLO Cc1cc(C)c(CNC(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c[nH+]1 ZINC001345397890 1052423607 /nfs/dbraw/zinc/42/36/07/1052423607.db2.gz PZLAPHGKBQSNRR-UHFFFAOYSA-N 1 2 374.444 2.502 20 30 FFEDLO C#CCN(C)c1nnc([C@H](C)[N@H+](C)Cc2ccccc2)n1C[C@H]1CCOC1 ZINC001344213286 1052638672 /nfs/dbraw/zinc/63/86/72/1052638672.db2.gz MWFNQCXXYUBBKW-PKOBYXMFSA-N 1 2 367.497 2.577 20 30 FFEDLO C#CCN(C)c1nnc([C@H](C)[N@@H+](C)Cc2ccccc2)n1C[C@H]1CCOC1 ZINC001344213286 1052638675 /nfs/dbraw/zinc/63/86/75/1052638675.db2.gz MWFNQCXXYUBBKW-PKOBYXMFSA-N 1 2 367.497 2.577 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2CCCOCC)C1 ZINC001344467248 1052785354 /nfs/dbraw/zinc/78/53/54/1052785354.db2.gz HQNCRPBONCJLFD-SFHVURJKSA-N 1 2 359.518 2.540 20 30 FFEDLO C#C[C@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2Cc2cccs2)C1 ZINC001344633136 1052869704 /nfs/dbraw/zinc/86/97/04/1052869704.db2.gz KPBNLKIXUDMGAL-INIZCTEOSA-N 1 2 355.511 2.833 20 30 FFEDLO CC(C)(C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1)C(F)F ZINC001346720421 1053256155 /nfs/dbraw/zinc/25/61/55/1053256155.db2.gz SCVZSBSHAQVFFZ-UHFFFAOYSA-N 1 2 357.422 2.766 20 30 FFEDLO C=C1CCN(c2nnc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)n2CC2CC2)CC1 ZINC001346811181 1053334331 /nfs/dbraw/zinc/33/43/31/1053334331.db2.gz ZSGBNGAMSNIABB-MSOLQXFVSA-N 1 2 357.502 2.770 20 30 FFEDLO C=C1CCN(c2nnc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)n2CC2CC2)CC1 ZINC001346811181 1053334348 /nfs/dbraw/zinc/33/43/48/1053334348.db2.gz ZSGBNGAMSNIABB-MSOLQXFVSA-N 1 2 357.502 2.770 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001347965412 1054509488 /nfs/dbraw/zinc/50/94/88/1054509488.db2.gz SQGPLKDSILLYTQ-QYWGDWMGSA-N 1 2 370.497 2.683 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1C[C@H]2COC[C@]2(C)C1 ZINC001351982104 1055099287 /nfs/dbraw/zinc/09/92/87/1055099287.db2.gz XULNGNTXLJFAER-QKLQHJQFSA-N 1 2 370.501 2.769 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC001338196442 1055311237 /nfs/dbraw/zinc/31/12/37/1055311237.db2.gz HBVVKNLZCYGZQD-RNKNFESXSA-N 1 2 356.470 2.509 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC001338196442 1055311256 /nfs/dbraw/zinc/31/12/56/1055311256.db2.gz HBVVKNLZCYGZQD-RNKNFESXSA-N 1 2 356.470 2.509 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H](CC)[N@@H+]2CCO[C@@H](CC)C2)c1 ZINC001543757359 1071540466 /nfs/dbraw/zinc/54/04/66/1071540466.db2.gz SVGARLMITHCZRA-WSTZPKSXSA-N 1 2 373.497 2.873 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H](CC)[N@H+]2CCO[C@@H](CC)C2)c1 ZINC001543757359 1071540475 /nfs/dbraw/zinc/54/04/75/1071540475.db2.gz SVGARLMITHCZRA-WSTZPKSXSA-N 1 2 373.497 2.873 20 30 FFEDLO C=CCn1c([C@@H](C)C(C)C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001356177779 1055360071 /nfs/dbraw/zinc/36/00/71/1055360071.db2.gz IBCRHLFDSFWIHL-INIZCTEOSA-N 1 2 358.490 2.842 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@@H](C)CC#N ZINC001356209798 1055387568 /nfs/dbraw/zinc/38/75/68/1055387568.db2.gz BPXZNAZJBAWZPS-INIZCTEOSA-N 1 2 355.490 2.686 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001356210297 1055387765 /nfs/dbraw/zinc/38/77/65/1055387765.db2.gz IQLZRDIMKUJINK-CALCHBBNSA-N 1 2 372.517 2.561 20 30 FFEDLO CCn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1C(C#N)(CC)CC ZINC001352377149 1055419688 /nfs/dbraw/zinc/41/96/88/1055419688.db2.gz RRGZCJIOEJXJIU-UHFFFAOYSA-N 1 2 353.474 2.601 20 30 FFEDLO CCn1c(Cc2[nH+]ccn2C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 ZINC001356296969 1055441788 /nfs/dbraw/zinc/44/17/88/1055441788.db2.gz MOLXFJCWAAXZBA-UHFFFAOYSA-N 1 2 373.464 2.788 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCCC2(CCCCC2)C1 ZINC001338776083 1055804405 /nfs/dbraw/zinc/80/44/05/1055804405.db2.gz VPWKNVLTRJNIDU-IRXDYDNUSA-N 1 2 359.518 2.752 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCCC2(CCCCC2)C1 ZINC001338776083 1055804413 /nfs/dbraw/zinc/80/44/13/1055804413.db2.gz VPWKNVLTRJNIDU-IRXDYDNUSA-N 1 2 359.518 2.752 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@]2(CCSC2)C1 ZINC001338923233 1055937853 /nfs/dbraw/zinc/93/78/53/1055937853.db2.gz FNZDESAQSQEWGC-IBGZPJMESA-N 1 2 374.558 2.632 20 30 FFEDLO Cn1c(C[NH+]2CCCCC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 ZINC001339188311 1056181460 /nfs/dbraw/zinc/18/14/60/1056181460.db2.gz SFCOVORMFPGIMN-UHFFFAOYSA-N 1 2 362.481 2.966 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001339367918 1056381089 /nfs/dbraw/zinc/38/10/89/1056381089.db2.gz MKERBPKNLUXJPB-LSDHHAIUSA-N 1 2 362.547 2.721 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(CCF)CC1 ZINC001339367955 1056381135 /nfs/dbraw/zinc/38/11/35/1056381135.db2.gz NFSHAGPOFGOKEF-UHFFFAOYSA-N 1 2 362.497 2.967 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@H](CCF)C1 ZINC001339485198 1056501254 /nfs/dbraw/zinc/50/12/54/1056501254.db2.gz KWWHUXMGKOFUIP-IAGOWNOFSA-N 1 2 365.497 2.822 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@H](CCF)C1 ZINC001339485198 1056501267 /nfs/dbraw/zinc/50/12/67/1056501267.db2.gz KWWHUXMGKOFUIP-IAGOWNOFSA-N 1 2 365.497 2.822 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC2(CCCCC2)CC1 ZINC001339529315 1056551224 /nfs/dbraw/zinc/55/12/24/1056551224.db2.gz HRPGHQBOBDXYFB-IRXDYDNUSA-N 1 2 359.518 2.752 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC2(CCCCC2)CC1 ZINC001339529315 1056551234 /nfs/dbraw/zinc/55/12/34/1056551234.db2.gz HRPGHQBOBDXYFB-IRXDYDNUSA-N 1 2 359.518 2.752 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(C)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001358873920 1056576432 /nfs/dbraw/zinc/57/64/32/1056576432.db2.gz PXVOKQWEUXXVSC-INIZCTEOSA-N 1 2 352.486 2.868 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CCc2ccsc2)CC1 ZINC001359029171 1056665629 /nfs/dbraw/zinc/66/56/29/1056665629.db2.gz QNLZEXZNYHQGCX-UHFFFAOYSA-N 1 2 357.527 2.635 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc([C@H]3C[N@H+](C(C)C)CCO3)n2CC2CC2)C1 ZINC001518223354 1058307986 /nfs/dbraw/zinc/30/79/86/1058307986.db2.gz RCVSGCPWDNBLDN-PKOBYXMFSA-N 1 2 371.529 2.710 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc([C@H]3C[N@@H+](C(C)C)CCO3)n2CC2CC2)C1 ZINC001518223354 1058308001 /nfs/dbraw/zinc/30/80/01/1058308001.db2.gz RCVSGCPWDNBLDN-PKOBYXMFSA-N 1 2 371.529 2.710 20 30 FFEDLO N#Cc1cc(Br)ccc1CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC001445953428 1058462202 /nfs/dbraw/zinc/46/22/02/1058462202.db2.gz RGPGEGQKLBQONJ-UHFFFAOYSA-N 1 2 369.222 2.827 20 30 FFEDLO C=CC1CCN(c2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2C)CC1 ZINC001519957351 1059244356 /nfs/dbraw/zinc/24/43/56/1059244356.db2.gz QBTDEQNDWSQKCS-LJQANCHMSA-N 1 2 367.497 2.791 20 30 FFEDLO C=CC1CCN(c2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2C)CC1 ZINC001519957351 1059244373 /nfs/dbraw/zinc/24/43/73/1059244373.db2.gz QBTDEQNDWSQKCS-LJQANCHMSA-N 1 2 367.497 2.791 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CC2CCCCC2)CC1 ZINC001300696131 1059381815 /nfs/dbraw/zinc/38/18/15/1059381815.db2.gz UJVWQFFRIIKRIU-UHFFFAOYSA-N 1 2 352.486 2.609 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@](C)(C(F)(F)F)C1 ZINC001520305161 1059588680 /nfs/dbraw/zinc/58/86/80/1059588680.db2.gz HRPLWSUTJXDPTJ-CJNGLKHVSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@](C)(C(F)(F)F)C1 ZINC001520305161 1059588700 /nfs/dbraw/zinc/58/87/00/1059588700.db2.gz HRPLWSUTJXDPTJ-CJNGLKHVSA-N 1 2 373.423 2.779 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CCC)CC1 ZINC001507722785 1059701670 /nfs/dbraw/zinc/70/16/70/1059701670.db2.gz IUTVJVAOTNTDEM-UYAOXDASSA-N 1 2 374.492 2.933 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2C[C@H](C)Sc2ccccc2)CC1 ZINC001507729055 1059704041 /nfs/dbraw/zinc/70/40/41/1059704041.db2.gz DDUFSXKFIADRNH-KRWDZBQOSA-N 1 2 369.538 2.777 20 30 FFEDLO C#CC[C@H](CC)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1CC=C ZINC001520649722 1059918411 /nfs/dbraw/zinc/91/84/11/1059918411.db2.gz QNSDXZWECQTISO-KRWDZBQOSA-N 1 2 368.485 2.600 20 30 FFEDLO CC1(C#N)CCN(c2nnc(C[NH+]3CCCC3)n2C[C@@H]2CCCCO2)CC1 ZINC001516532251 1060131147 /nfs/dbraw/zinc/13/11/47/1060131147.db2.gz VUWKQMAOWGOZKG-KRWDZBQOSA-N 1 2 372.517 2.573 20 30 FFEDLO Cc1cc(Cn2c([C@@H]3CCC[N@H+]3C)nnc2N2CCC[C@](C)(C#N)C2)no1 ZINC001521350170 1060550753 /nfs/dbraw/zinc/55/07/53/1060550753.db2.gz QJLCXIYUGBTBBU-QFBILLFUSA-N 1 2 369.473 2.520 20 30 FFEDLO Cc1cc(Cn2c([C@@H]3CCC[N@@H+]3C)nnc2N2CCC[C@](C)(C#N)C2)no1 ZINC001521350170 1060550774 /nfs/dbraw/zinc/55/07/74/1060550774.db2.gz QJLCXIYUGBTBBU-QFBILLFUSA-N 1 2 369.473 2.520 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC001512832154 1060701795 /nfs/dbraw/zinc/70/17/95/1060701795.db2.gz XVUCWGDWUIVYFX-SOLBZPMBSA-N 1 2 366.465 2.610 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 ZINC001355976602 1060775614 /nfs/dbraw/zinc/77/56/14/1060775614.db2.gz MZFLMNASRAFTHD-DLBZAZTESA-N 1 2 372.517 2.820 20 30 FFEDLO CC[C@](O)(C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C(F)(F)F ZINC001459936975 1060854040 /nfs/dbraw/zinc/85/40/40/1060854040.db2.gz SGGDSVOIFJEUHC-CVEARBPZSA-N 1 2 359.367 2.711 20 30 FFEDLO Cc1nc(NCc2cccc(C(=O)NC3(C#N)CCSCC3)c2)cc[nH+]1 ZINC000541720547 1060927284 /nfs/dbraw/zinc/92/72/84/1060927284.db2.gz FGNSPWUUQNQZIW-UHFFFAOYSA-N 1 2 367.478 2.916 20 30 FFEDLO C[C@](O)(C[NH+]1CCN(c2ccsc2C#N)CC1)C(F)(F)C(F)(F)F ZINC001460415305 1060986868 /nfs/dbraw/zinc/98/68/68/1060986868.db2.gz LUQPMEMQSQOZHL-LBPRGKRZSA-N 1 2 369.359 2.690 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1(C)C ZINC001460706321 1061070950 /nfs/dbraw/zinc/07/09/50/1061070950.db2.gz DVYDPLJPGRQDHU-OAHLLOKOSA-N 1 2 373.497 2.805 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1(C)C ZINC001460706321 1061070961 /nfs/dbraw/zinc/07/09/61/1061070961.db2.gz DVYDPLJPGRQDHU-OAHLLOKOSA-N 1 2 373.497 2.805 20 30 FFEDLO CCOc1cccnc1N1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC001460777400 1061097671 /nfs/dbraw/zinc/09/76/71/1061097671.db2.gz KYGPDISSGBBVDF-UHFFFAOYSA-N 1 2 352.438 2.683 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](c2cnccn2)C1 ZINC001460857035 1061129720 /nfs/dbraw/zinc/12/97/20/1061129720.db2.gz KGTWUZXURHSIPV-STQMWFEESA-N 1 2 367.478 2.715 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](c2cnccn2)C1 ZINC001460857035 1061129732 /nfs/dbraw/zinc/12/97/32/1061129732.db2.gz KGTWUZXURHSIPV-STQMWFEESA-N 1 2 367.478 2.715 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)SC)n2Cc2ccccc2)CC1 ZINC001521865122 1061178484 /nfs/dbraw/zinc/17/84/84/1061178484.db2.gz UFHJHRHCKSTGEW-MRXNPFEDSA-N 1 2 355.511 2.506 20 30 FFEDLO Cc1ccccc1[C@H]1CN(S(=O)(=O)c2cc(C#N)ccc2C)CC[NH2+]1 ZINC001475811313 1061290082 /nfs/dbraw/zinc/29/00/82/1061290082.db2.gz VAEXBCSSGAMXBM-GOSISDBHSA-N 1 2 355.463 2.510 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)nn1 ZINC001461590327 1061357413 /nfs/dbraw/zinc/35/74/13/1061357413.db2.gz PADSPFRTFWRGMK-INIZCTEOSA-N 1 2 370.375 2.966 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001522288953 1061875981 /nfs/dbraw/zinc/87/59/81/1061875981.db2.gz AFHRASCCMKMQRY-MLHJIOFPSA-N 1 2 372.513 2.777 20 30 FFEDLO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C(F)C(F)(F)F)C2)cc1 ZINC001479453403 1062420825 /nfs/dbraw/zinc/42/08/25/1062420825.db2.gz XWPIYONCBZBOCK-ZNMIVQPWSA-N 1 2 357.351 2.833 20 30 FFEDLO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H](F)C(F)(F)F)C2)cc1 ZINC001479453403 1062420837 /nfs/dbraw/zinc/42/08/37/1062420837.db2.gz XWPIYONCBZBOCK-ZNMIVQPWSA-N 1 2 357.351 2.833 20 30 FFEDLO Cc1cc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)ncc1C#N ZINC001530234468 1062522622 /nfs/dbraw/zinc/52/26/22/1062522622.db2.gz HJFZRCSRRKBEEA-UHFFFAOYSA-N 1 2 374.404 2.739 20 30 FFEDLO N#Cc1ccc(CSc2nnc(NC(=O)Cc3c[nH]c[nH+]3)s2)cc1 ZINC001464402558 1062591223 /nfs/dbraw/zinc/59/12/23/1062591223.db2.gz UEFYQESYHCWYGA-UHFFFAOYSA-N 1 2 356.436 2.606 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@@H](OCCC(C)C)C1 ZINC001523811527 1062629113 /nfs/dbraw/zinc/62/91/13/1062629113.db2.gz FIBZABDTQAKLJY-QGZVFWFLSA-N 1 2 372.517 2.820 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(F)CC1 ZINC001524357844 1062812938 /nfs/dbraw/zinc/81/29/38/1062812938.db2.gz CXLKEBRVQUYIJI-IAGOWNOFSA-N 1 2 363.481 2.718 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(F)CC1 ZINC001524357844 1062812971 /nfs/dbraw/zinc/81/29/71/1062812971.db2.gz CXLKEBRVQUYIJI-IAGOWNOFSA-N 1 2 363.481 2.718 20 30 FFEDLO N#Cc1ccc(Oc2cccc(NC(=O)/C=C\C[NH+]3CCOCC3)c2)nc1 ZINC001465366694 1063065791 /nfs/dbraw/zinc/06/57/91/1063065791.db2.gz IWNVOTGGCZEECM-DJWKRKHSSA-N 1 2 364.405 2.572 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001465781961 1063212027 /nfs/dbraw/zinc/21/20/27/1063212027.db2.gz LHQWPMSTEPHWJP-QZTJIDSGSA-N 1 2 373.497 2.624 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001465781961 1063212041 /nfs/dbraw/zinc/21/20/41/1063212041.db2.gz LHQWPMSTEPHWJP-QZTJIDSGSA-N 1 2 373.497 2.624 20 30 FFEDLO C=CC1CCN(c2nnc(C[NH+]3CCCCC3)n2C[C@@H]2CCCO2)CC1 ZINC001525295026 1063237721 /nfs/dbraw/zinc/23/77/21/1063237721.db2.gz SOXQAFPBOFLGJA-SFHVURJKSA-N 1 2 359.518 2.845 20 30 FFEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001496785938 1063649136 /nfs/dbraw/zinc/64/91/36/1063649136.db2.gz NGNOPRJPGNHCJA-RBUKOAKNSA-N 1 2 366.440 2.786 20 30 FFEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001496785938 1063649143 /nfs/dbraw/zinc/64/91/43/1063649143.db2.gz NGNOPRJPGNHCJA-RBUKOAKNSA-N 1 2 366.440 2.786 20 30 FFEDLO C[N@@H+]1CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)[C@@H](Cc2ccccc2)C1 ZINC001469806185 1064213910 /nfs/dbraw/zinc/21/39/10/1064213910.db2.gz WHSZDHDAHAWVSA-JTPHSUOKSA-N 1 2 366.436 2.793 20 30 FFEDLO C[N@H+]1CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)[C@@H](Cc2ccccc2)C1 ZINC001469806185 1064213920 /nfs/dbraw/zinc/21/39/20/1064213920.db2.gz WHSZDHDAHAWVSA-JTPHSUOKSA-N 1 2 366.436 2.793 20 30 FFEDLO C=CCC1(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CCCCC1 ZINC001574773393 1078080846 /nfs/dbraw/zinc/08/08/46/1078080846.db2.gz XIFDZXYJRYBDQH-IAGOWNOFSA-N 1 2 370.497 2.711 20 30 FFEDLO C=CCC1(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CCCCC1 ZINC001574773393 1078080849 /nfs/dbraw/zinc/08/08/49/1078080849.db2.gz XIFDZXYJRYBDQH-IAGOWNOFSA-N 1 2 370.497 2.711 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNc3cc(C#N)nc(C4CC4)n3)C2)c1 ZINC001472856196 1065159466 /nfs/dbraw/zinc/15/94/66/1065159466.db2.gz ZMADBMONNUUHGZ-LJQANCHMSA-N 1 2 363.465 2.847 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNc3cc(C#N)nc(C4CC4)n3)C2)c1 ZINC001472856196 1065159471 /nfs/dbraw/zinc/15/94/71/1065159471.db2.gz ZMADBMONNUUHGZ-LJQANCHMSA-N 1 2 363.465 2.847 20 30 FFEDLO C#CC[N@@H+](CC#CC)Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001474370380 1065504502 /nfs/dbraw/zinc/50/45/02/1065504502.db2.gz ZBOBHKSMXRWQFO-UHFFFAOYSA-N 1 2 371.481 2.795 20 30 FFEDLO C#CC[N@H+](CC#CC)Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001474370380 1065504515 /nfs/dbraw/zinc/50/45/15/1065504515.db2.gz ZBOBHKSMXRWQFO-UHFFFAOYSA-N 1 2 371.481 2.795 20 30 FFEDLO CON=Cc1ccc(C(=O)N2C[C@@H](OC)C[C@@H]2c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001548973833 1073554665 /nfs/dbraw/zinc/55/46/65/1073554665.db2.gz AQGUMWSBGUYVJY-DLBZAZTESA-N 1 2 356.426 2.609 20 30 FFEDLO N#Cc1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)cc2=O ZINC001559554877 1076172386 /nfs/dbraw/zinc/17/23/86/1076172386.db2.gz MZUKHNGZOZCIOD-ROUUACIJSA-N 1 2 358.405 2.578 20 30 FFEDLO N#Cc1cnn2c1[nH]c(C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)cc2=O ZINC001559554877 1076172389 /nfs/dbraw/zinc/17/23/89/1076172389.db2.gz MZUKHNGZOZCIOD-ROUUACIJSA-N 1 2 358.405 2.578 20 30 FFEDLO Cc1sc(NC(=O)C[NH+]2CCC(c3ncccn3)CC2)c(C#N)c1C ZINC001560158019 1076238303 /nfs/dbraw/zinc/23/83/03/1076238303.db2.gz YDLGTEWJOABDJM-UHFFFAOYSA-N 1 2 355.467 2.845 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC001561078353 1076329750 /nfs/dbraw/zinc/32/97/50/1076329750.db2.gz GCGWMLQCQBFTMJ-GOSISDBHSA-N 1 2 362.882 2.903 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2nnc(C)[nH]2)C[C@H]1c1ccccc1 ZINC001565882948 1076777479 /nfs/dbraw/zinc/77/74/79/1076777479.db2.gz SDKLMHQJQZDWSA-ZWKOTPCHSA-N 1 2 367.497 2.800 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2nnc(C)[nH]2)C[C@H]1c1ccccc1 ZINC001565882948 1076777481 /nfs/dbraw/zinc/77/74/81/1076777481.db2.gz SDKLMHQJQZDWSA-ZWKOTPCHSA-N 1 2 367.497 2.800 20 30 FFEDLO C=CCCC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2cc(F)cc(F)c2)[C@@H]1CC ZINC001566008871 1076843222 /nfs/dbraw/zinc/84/32/22/1076843222.db2.gz QWDQUAXUUUSCMZ-DLBZAZTESA-N 1 2 365.424 2.839 20 30 FFEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2cc(F)cc(F)c2)[C@@H]1CC ZINC001566008871 1076843228 /nfs/dbraw/zinc/84/32/28/1076843228.db2.gz QWDQUAXUUUSCMZ-DLBZAZTESA-N 1 2 365.424 2.839 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C(C)(C)CC)[C@H]2C)c1 ZINC001566101266 1076905461 /nfs/dbraw/zinc/90/54/61/1076905461.db2.gz ABOVDNYEJOXPMN-QAPCUYQASA-N 1 2 355.482 2.622 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C(C)(C)CC)[C@H]2C)c1 ZINC001566101266 1076905465 /nfs/dbraw/zinc/90/54/65/1076905465.db2.gz ABOVDNYEJOXPMN-QAPCUYQASA-N 1 2 355.482 2.622 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC001566665425 1076973643 /nfs/dbraw/zinc/97/36/43/1076973643.db2.gz UZJRLNTWAKJGAZ-RWMBFGLXSA-N 1 2 354.800 2.820 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC001566665425 1076973646 /nfs/dbraw/zinc/97/36/46/1076973646.db2.gz UZJRLNTWAKJGAZ-RWMBFGLXSA-N 1 2 354.800 2.820 20 30 FFEDLO C=CCC[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C(=O)OCC ZINC001569186999 1077133793 /nfs/dbraw/zinc/13/37/93/1077133793.db2.gz NFMYUHWBNFKNEQ-SJORKVTESA-N 1 2 355.438 2.946 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001572893635 1077412297 /nfs/dbraw/zinc/41/22/97/1077412297.db2.gz VCJKWSCXMFNPCG-IXDOHACOSA-N 1 2 358.486 2.544 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001574508472 1078005332 /nfs/dbraw/zinc/00/53/32/1078005332.db2.gz BDZNCURGUGUUPQ-TVFCKZIOSA-N 1 2 358.486 2.514 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(-c2ccccn2)n1CCc1cn2ccccc2[nH+]1 ZINC001587609383 1079826929 /nfs/dbraw/zinc/82/69/29/1079826929.db2.gz OGZVWKFYUSCZEF-MRXNPFEDSA-N 1 2 371.448 2.688 20 30 FFEDLO N#CC1(c2ccc(C(=O)Nc3ccc(C(N)=O)cc3-n3cc[nH+]c3)cc2)CC1 ZINC001587949773 1079898019 /nfs/dbraw/zinc/89/80/19/1079898019.db2.gz TUFBLFXCINEDGJ-UHFFFAOYSA-N 1 2 371.400 2.779 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CC2(OC)CCCCC2)CC1 ZINC001588742361 1080178831 /nfs/dbraw/zinc/17/88/31/1080178831.db2.gz QTFWIAIXMPQXAM-UHFFFAOYSA-N 1 2 359.518 2.506 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2Cc2occc2C)CC1 ZINC001588813307 1080204855 /nfs/dbraw/zinc/20/48/55/1080204855.db2.gz XDPIQTYLHNTZQA-UHFFFAOYSA-N 1 2 353.470 2.641 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CCCC(C)(C)C)CC1 ZINC001588813146 1080204996 /nfs/dbraw/zinc/20/49/96/1080204996.db2.gz WDPMZJMRUNYDMS-SFHVURJKSA-N 1 2 373.545 2.754 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2Cc2ccccc2F)CC1 ZINC001588811174 1080205083 /nfs/dbraw/zinc/20/50/83/1080205083.db2.gz BVOZNVHYUPYYGY-UHFFFAOYSA-N 1 2 367.472 2.878 20 30 FFEDLO C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1Cc1c[nH+]ccc1OC ZINC001589260139 1080451873 /nfs/dbraw/zinc/45/18/73/1080451873.db2.gz ZFBDRXYKXAJTTO-YLJYHZDGSA-N 1 2 367.453 2.574 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000017843285 249325042 /nfs/dbraw/zinc/32/50/42/249325042.db2.gz BCPGUVPOPDVEBG-UHFFFAOYSA-N 1 2 358.445 2.926 20 30 FFEDLO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554895 250076195 /nfs/dbraw/zinc/07/61/95/250076195.db2.gz LPSHTPMRSJDPHJ-MJGOQNOKSA-N 1 2 354.498 2.860 20 30 FFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105301672 250207453 /nfs/dbraw/zinc/20/74/53/250207453.db2.gz QZWLWVVTZYIJIS-SJORKVTESA-N 1 2 358.486 2.589 20 30 FFEDLO COc1ccnc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000106860298 250293986 /nfs/dbraw/zinc/29/39/86/250293986.db2.gz YDDJWIWHIGAMGW-UHFFFAOYSA-N 1 2 359.433 2.832 20 30 FFEDLO COc1cc[nH+]c(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000106860298 250293990 /nfs/dbraw/zinc/29/39/90/250293990.db2.gz YDDJWIWHIGAMGW-UHFFFAOYSA-N 1 2 359.433 2.832 20 30 FFEDLO Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000118390519 250385914 /nfs/dbraw/zinc/38/59/14/250385914.db2.gz WYQCDDAFXQPSBR-QGZVFWFLSA-N 1 2 369.490 2.934 20 30 FFEDLO Cc1cccn2cc(CNC(=O)c3ccn(-c4cccc(C#N)c4)n3)[nH+]c12 ZINC000409671906 512121604 /nfs/dbraw/zinc/12/16/04/512121604.db2.gz NHXZTQRVHRMCAV-UHFFFAOYSA-N 1 2 356.389 2.630 20 30 FFEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153019967 251092186 /nfs/dbraw/zinc/09/21/86/251092186.db2.gz MXSCTJNXZKNFSS-XLIONFOSSA-N 1 2 364.449 2.752 20 30 FFEDLO CC(C)OCCCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000272788288 252131197 /nfs/dbraw/zinc/13/11/97/252131197.db2.gz ANKPSKKOGMABPY-UHFFFAOYSA-N 1 2 358.486 2.591 20 30 FFEDLO CN(CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cn2c([nH+]1)CCCC2 ZINC000372994543 512123514 /nfs/dbraw/zinc/12/35/14/512123514.db2.gz FAGQEJHDGMTUKE-UHFFFAOYSA-N 1 2 357.845 2.815 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000277664584 256223737 /nfs/dbraw/zinc/22/37/37/256223737.db2.gz FEFLFLQEJMVWMX-VHRBIJSZSA-N 1 2 373.375 2.730 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000277664584 256223739 /nfs/dbraw/zinc/22/37/39/256223739.db2.gz FEFLFLQEJMVWMX-VHRBIJSZSA-N 1 2 373.375 2.730 20 30 FFEDLO CN(C)c1ncnc(Cl)c1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000278521918 256321477 /nfs/dbraw/zinc/32/14/77/256321477.db2.gz CRJZRZFKBPGKCU-UHFFFAOYSA-N 1 2 370.888 2.780 20 30 FFEDLO CN(C)c1ncnc(Cl)c1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000278521918 256321478 /nfs/dbraw/zinc/32/14/78/256321478.db2.gz CRJZRZFKBPGKCU-UHFFFAOYSA-N 1 2 370.888 2.780 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)C2)c(F)c1 ZINC000285981390 257014311 /nfs/dbraw/zinc/01/43/11/257014311.db2.gz CADIHDJIYMJCMB-JKSUJKDBSA-N 1 2 367.428 2.653 20 30 FFEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000287801941 257114805 /nfs/dbraw/zinc/11/48/05/257114805.db2.gz ONOZYPSRAWEHHJ-UHFFFAOYSA-N 1 2 360.259 2.824 20 30 FFEDLO CC(C)[C@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1[nH]cc[nH+]1 ZINC000288313315 257173728 /nfs/dbraw/zinc/17/37/28/257173728.db2.gz ZEOBWUOIDRUFLS-PBHICJAKSA-N 1 2 355.417 2.760 20 30 FFEDLO C[C@H]1C[C@@H](CO)CC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000288575501 257207804 /nfs/dbraw/zinc/20/78/04/257207804.db2.gz BQIPGZQYBSNUCI-KBPBESRZSA-N 1 2 361.511 2.920 20 30 FFEDLO C[C@H]1C[C@@H](CO)CC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000288575501 257207806 /nfs/dbraw/zinc/20/78/06/257207806.db2.gz BQIPGZQYBSNUCI-KBPBESRZSA-N 1 2 361.511 2.920 20 30 FFEDLO CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cncc(C#N)c3)c2C1 ZINC000290548922 257340786 /nfs/dbraw/zinc/34/07/86/257340786.db2.gz QDLNOALSLPNVEA-UHFFFAOYSA-N 1 2 356.451 2.870 20 30 FFEDLO N#Cc1c(NC[C@@H](c2ccc(F)cc2)[NH+]2CCOCC2)nc2ccccn21 ZINC000301146286 258028954 /nfs/dbraw/zinc/02/89/54/258028954.db2.gz GPDGXTAWQBVHAC-SFHVURJKSA-N 1 2 365.412 2.830 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNc3nc4ccccn4c3C#N)c[nH+]2)C[C@H](C)O1 ZINC000302095917 258087928 /nfs/dbraw/zinc/08/79/28/258087928.db2.gz NZGBBWMODGCEPD-GASCZTMLSA-N 1 2 362.437 2.827 20 30 FFEDLO C[C@@H]1C[N@@H+](CCN(C)c2ccc(C#N)cc2Br)C[C@H](C)O1 ZINC000302865276 258112739 /nfs/dbraw/zinc/11/27/39/258112739.db2.gz UGKQEXXGWUWYSF-BETUJISGSA-N 1 2 352.276 2.866 20 30 FFEDLO C[C@@H]1C[N@H+](CCN(C)c2ccc(C#N)cc2Br)C[C@H](C)O1 ZINC000302865276 258112740 /nfs/dbraw/zinc/11/27/40/258112740.db2.gz UGKQEXXGWUWYSF-BETUJISGSA-N 1 2 352.276 2.866 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(N4CCCCC4=O)CC3)o2)c1 ZINC000330042637 258153637 /nfs/dbraw/zinc/15/36/37/258153637.db2.gz CFSQTBHXFSUEAK-UHFFFAOYSA-N 1 2 365.437 2.585 20 30 FFEDLO Cc1oc(NC(=O)C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)c(C#N)c1C ZINC000330760291 258170117 /nfs/dbraw/zinc/17/01/17/258170117.db2.gz LHYZETHNSGWBPB-CQSZACIVSA-N 1 2 374.485 2.579 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c(C#N)c1C ZINC000331203087 258179825 /nfs/dbraw/zinc/17/98/25/258179825.db2.gz NSKZWTHXZUTCRA-YPMHNXCESA-N 1 2 361.389 2.563 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c(C#N)c1C ZINC000331203087 258179826 /nfs/dbraw/zinc/17/98/26/258179826.db2.gz NSKZWTHXZUTCRA-YPMHNXCESA-N 1 2 361.389 2.563 20 30 FFEDLO Cc1onc(CC(=O)N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)c1C#N ZINC000332320873 258225104 /nfs/dbraw/zinc/22/51/04/258225104.db2.gz OUZIXDCMFKZYKF-ZDUSSCGKSA-N 1 2 372.856 2.956 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1(C)C ZINC000333025168 258245422 /nfs/dbraw/zinc/24/54/22/258245422.db2.gz AKEQQDCHCQGZRD-CQSZACIVSA-N 1 2 364.858 2.717 20 30 FFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCOc1ccc(C#N)cc1)C2 ZINC000372999062 512125602 /nfs/dbraw/zinc/12/56/02/512125602.db2.gz GIBBNFTUICDYON-OAHLLOKOSA-N 1 2 352.438 2.705 20 30 FFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCOc1ccc(C#N)cc1)CC2 ZINC000372999062 512125604 /nfs/dbraw/zinc/12/56/04/512125604.db2.gz GIBBNFTUICDYON-OAHLLOKOSA-N 1 2 352.438 2.705 20 30 FFEDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000057548180 136129737 /nfs/dbraw/zinc/12/97/37/136129737.db2.gz IXXMDYOMQUUDNH-MRXNPFEDSA-N 1 2 364.449 2.716 20 30 FFEDLO N#Cc1ccc(C[N@@H+](CC(=O)N2CCOCC2)Cc2cccc(F)c2)cc1 ZINC000052797995 506252258 /nfs/dbraw/zinc/25/22/58/506252258.db2.gz JBGCRCQFZZMFOM-UHFFFAOYSA-N 1 2 367.424 2.558 20 30 FFEDLO N#Cc1ccc(C[N@H+](CC(=O)N2CCOCC2)Cc2cccc(F)c2)cc1 ZINC000052797995 506252265 /nfs/dbraw/zinc/25/22/65/506252265.db2.gz JBGCRCQFZZMFOM-UHFFFAOYSA-N 1 2 367.424 2.558 20 30 FFEDLO N#Cc1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000032533810 506261725 /nfs/dbraw/zinc/26/17/25/506261725.db2.gz RZQBHHRKCHNFBK-KRWDZBQOSA-N 1 2 352.394 2.779 20 30 FFEDLO N#Cc1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000032533810 506261733 /nfs/dbraw/zinc/26/17/33/506261733.db2.gz RZQBHHRKCHNFBK-KRWDZBQOSA-N 1 2 352.394 2.779 20 30 FFEDLO COc1ccc(Br)cc1C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000052896333 506275447 /nfs/dbraw/zinc/27/54/47/506275447.db2.gz UFAYQTGRBSDKQL-GFCCVEGCSA-N 1 2 368.275 2.650 20 30 FFEDLO COc1ccc(Br)cc1C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000052896333 506275452 /nfs/dbraw/zinc/27/54/52/506275452.db2.gz UFAYQTGRBSDKQL-GFCCVEGCSA-N 1 2 368.275 2.650 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC(O)(c3scnc3Br)CC2)o1 ZINC000366784335 512185724 /nfs/dbraw/zinc/18/57/24/512185724.db2.gz UWADPGHMXLLXHO-UHFFFAOYSA-N 1 2 368.256 2.854 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCCSCc2ccccc2C#N)C1 ZINC000366814679 512199033 /nfs/dbraw/zinc/19/90/33/512199033.db2.gz NCHMIDNPHPMLRV-INIZCTEOSA-N 1 2 369.494 2.724 20 30 FFEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c1 ZINC000065963814 506403808 /nfs/dbraw/zinc/40/38/08/506403808.db2.gz ZSIITTSGYPUJHC-UHFFFAOYSA-N 1 2 368.481 2.658 20 30 FFEDLO Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000041106079 506492478 /nfs/dbraw/zinc/49/24/78/506492478.db2.gz BVIKBFOZLMGHMX-UHFFFAOYSA-N 1 2 362.477 2.931 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c(OC)c1OC ZINC000008675507 506662060 /nfs/dbraw/zinc/66/20/60/506662060.db2.gz KTUKJBUJMKYTHW-UHFFFAOYSA-N 1 2 367.449 2.906 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)CCC2 ZINC000371257788 512292669 /nfs/dbraw/zinc/29/26/69/512292669.db2.gz ZKKNQMKVKNZBAD-QGZVFWFLSA-N 1 2 354.479 2.990 20 30 FFEDLO CCCCOCCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043039439 506690376 /nfs/dbraw/zinc/69/03/76/506690376.db2.gz HTAWEOIYRXHWJE-UHFFFAOYSA-N 1 2 358.486 2.592 20 30 FFEDLO C[C@@H](Sc1[nH+]cnc2c1cnn2C)C(=O)N(CCC#N)c1ccccc1 ZINC000011680801 506787697 /nfs/dbraw/zinc/78/76/97/506787697.db2.gz QQIZEAHOXCEFDC-CYBMUJFWSA-N 1 2 366.450 2.791 20 30 FFEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000044741625 506882036 /nfs/dbraw/zinc/88/20/36/506882036.db2.gz KBWXRHGGWRDAST-FOIQADDNSA-N 1 2 374.916 2.827 20 30 FFEDLO N#Cc1ccc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000045027152 506908335 /nfs/dbraw/zinc/90/83/35/506908335.db2.gz IMHIRDIPVUGJFC-UHFFFAOYSA-N 1 2 350.422 2.787 20 30 FFEDLO C=C(C)CN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000067794194 507011078 /nfs/dbraw/zinc/01/10/78/507011078.db2.gz KCQJGQYTMXEAAT-UHFFFAOYSA-N 1 2 359.451 2.921 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000046059353 507068566 /nfs/dbraw/zinc/06/85/66/507068566.db2.gz OSUSDSMVEAOLCJ-FPOVZHCZSA-N 1 2 370.424 2.705 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000046059353 507068571 /nfs/dbraw/zinc/06/85/71/507068571.db2.gz OSUSDSMVEAOLCJ-FPOVZHCZSA-N 1 2 370.424 2.705 20 30 FFEDLO C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)cc2C1=O ZINC000046105649 507078880 /nfs/dbraw/zinc/07/88/80/507078880.db2.gz AOOFGYVFPQXEGY-UHFFFAOYSA-N 1 2 372.384 2.907 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000016473815 507093030 /nfs/dbraw/zinc/09/30/30/507093030.db2.gz XDTSOIWHVNIAKI-OAHLLOKOSA-N 1 2 352.413 2.847 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccccc1N1CCCC1=O)Cc1ccc(C#N)cc1 ZINC000046528884 507149983 /nfs/dbraw/zinc/14/99/83/507149983.db2.gz UKCGHKNUHZTFKO-UHFFFAOYSA-N 1 2 362.433 2.756 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccccc1N1CCCC1=O)Cc1ccc(C#N)cc1 ZINC000046528884 507149988 /nfs/dbraw/zinc/14/99/88/507149988.db2.gz UKCGHKNUHZTFKO-UHFFFAOYSA-N 1 2 362.433 2.756 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046618403 507160807 /nfs/dbraw/zinc/16/08/07/507160807.db2.gz YWXHQYFROWPFDX-OAHLLOKOSA-N 1 2 350.422 2.506 20 30 FFEDLO C[C@@H](C(=O)NC1CCCCC1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023257538 507343388 /nfs/dbraw/zinc/34/33/88/507343388.db2.gz RVBWIMGORNKRCD-KRWDZBQOSA-N 1 2 354.498 2.513 20 30 FFEDLO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023257538 507343392 /nfs/dbraw/zinc/34/33/92/507343392.db2.gz RVBWIMGORNKRCD-KRWDZBQOSA-N 1 2 354.498 2.513 20 30 FFEDLO N#CCCCCS(=O)(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000068881591 507347448 /nfs/dbraw/zinc/34/74/48/507347448.db2.gz PMMHXUBFFCGMHI-UHFFFAOYSA-N 1 2 350.488 2.575 20 30 FFEDLO N#CC1CC[NH+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)CC1 ZINC000057879342 507348147 /nfs/dbraw/zinc/34/81/47/507348147.db2.gz GMTYGVCIBOBLDA-UHFFFAOYSA-N 1 2 357.845 2.759 20 30 FFEDLO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000047858650 507402018 /nfs/dbraw/zinc/40/20/18/507402018.db2.gz QPFSZMDDJHPNFT-OAHLLOKOSA-N 1 2 360.421 2.886 20 30 FFEDLO N#Cc1ccc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000024568858 507419436 /nfs/dbraw/zinc/41/94/36/507419436.db2.gz OYKDWQJJTMTACM-MRXNPFEDSA-N 1 2 356.451 2.815 20 30 FFEDLO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000069289379 507458164 /nfs/dbraw/zinc/45/81/64/507458164.db2.gz HGOLOIWJXRXKQT-GOSISDBHSA-N 1 2 363.461 2.978 20 30 FFEDLO N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCCn3cc[nH+]c3)c2)c1 ZINC000048125599 507458667 /nfs/dbraw/zinc/45/86/67/507458667.db2.gz NHBIVEPRIZQEKH-UHFFFAOYSA-N 1 2 374.404 2.829 20 30 FFEDLO N#Cc1ccccc1OCC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000048371548 507510447 /nfs/dbraw/zinc/51/04/47/507510447.db2.gz LAXKQHZNPUDJHJ-UHFFFAOYSA-N 1 2 350.422 2.639 20 30 FFEDLO COc1ccccc1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000025987328 507550441 /nfs/dbraw/zinc/55/04/41/507550441.db2.gz ALCXVTDTOQMWIT-UHFFFAOYSA-N 1 2 364.449 2.594 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)cc1 ZINC000026246936 507571093 /nfs/dbraw/zinc/57/10/93/507571093.db2.gz QGZFUCVZIDQKBJ-UHFFFAOYSA-N 1 2 374.366 2.930 20 30 FFEDLO CCc1ccccc1NC(=O)C[N@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000069875833 507579070 /nfs/dbraw/zinc/57/90/70/507579070.db2.gz RTMSVYPGDFWXIG-QRWLVFNGSA-N 1 2 358.486 2.562 20 30 FFEDLO CCc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000069875833 507579073 /nfs/dbraw/zinc/57/90/73/507579073.db2.gz RTMSVYPGDFWXIG-QRWLVFNGSA-N 1 2 358.486 2.562 20 30 FFEDLO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(C#N)c(SC)[nH]c2=O)c1 ZINC000061622520 507627087 /nfs/dbraw/zinc/62/70/87/507627087.db2.gz GZJMOKGGKVDISY-UHFFFAOYSA-N 1 2 370.478 2.762 20 30 FFEDLO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc(C#N)c(SC)[nH]c2=O)c1 ZINC000061622520 507627094 /nfs/dbraw/zinc/62/70/94/507627094.db2.gz GZJMOKGGKVDISY-UHFFFAOYSA-N 1 2 370.478 2.762 20 30 FFEDLO COC(=O)c1ccoc1CO[NH+]=C(N)c1cc(Cl)c(OC)c(OC)c1 ZINC000063458227 507732968 /nfs/dbraw/zinc/73/29/68/507732968.db2.gz XDCZONYYNKJZQX-UHFFFAOYSA-N 1 2 368.773 2.574 20 30 FFEDLO COCC[N@H+](CC(=O)NCc1cccc(Cl)c1)Cc1ccc(C#N)cc1 ZINC000063754304 507768373 /nfs/dbraw/zinc/76/83/73/507768373.db2.gz OHQJSGBMGIMGKK-UHFFFAOYSA-N 1 2 371.868 2.976 20 30 FFEDLO COCC[N@@H+](CC(=O)NCc1cccc(Cl)c1)Cc1ccc(C#N)cc1 ZINC000063754304 507768376 /nfs/dbraw/zinc/76/83/76/507768376.db2.gz OHQJSGBMGIMGKK-UHFFFAOYSA-N 1 2 371.868 2.976 20 30 FFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000029225073 507769718 /nfs/dbraw/zinc/76/97/18/507769718.db2.gz SXQMNNGIOQBICD-UHFFFAOYSA-N 1 2 353.382 2.654 20 30 FFEDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029856999 507793255 /nfs/dbraw/zinc/79/32/55/507793255.db2.gz CEWDJSKTJANOQU-DLBZAZTESA-N 1 2 372.488 2.999 20 30 FFEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3cccc(F)c3C#N)CC2)[C@@H]1C ZINC000029856338 507793261 /nfs/dbraw/zinc/79/32/61/507793261.db2.gz MGHHFROYVAGXOG-GPMSIDNRSA-N 1 2 372.488 2.760 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000052213521 507802122 /nfs/dbraw/zinc/80/21/22/507802122.db2.gz SOVLSTPOLGWPNH-AWEZNQCLSA-N 1 2 366.259 2.598 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000052213521 507802124 /nfs/dbraw/zinc/80/21/24/507802124.db2.gz SOVLSTPOLGWPNH-AWEZNQCLSA-N 1 2 366.259 2.598 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000064621756 507804795 /nfs/dbraw/zinc/80/47/95/507804795.db2.gz XLBAAOPOJQDEHL-UHFFFAOYSA-N 1 2 373.350 2.533 20 30 FFEDLO COc1ccc(OC)c(C[NH+]2CCN(c3nc(C)cc(C)c3C#N)CC2)c1 ZINC000030592381 507811178 /nfs/dbraw/zinc/81/11/78/507811178.db2.gz JLTPDXCRDWWZGB-UHFFFAOYSA-N 1 2 366.465 2.910 20 30 FFEDLO COc1ccccc1OCC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000052638347 507816616 /nfs/dbraw/zinc/81/66/16/507816616.db2.gz KCYHDNVQKYAIOV-UHFFFAOYSA-N 1 2 368.437 2.633 20 30 FFEDLO Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1C ZINC000031300109 507818772 /nfs/dbraw/zinc/81/87/72/507818772.db2.gz VOZIKEWWIYESIR-OXQOHEQNSA-N 1 2 358.486 2.617 20 30 FFEDLO Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1C ZINC000031300109 507818773 /nfs/dbraw/zinc/81/87/73/507818773.db2.gz VOZIKEWWIYESIR-OXQOHEQNSA-N 1 2 358.486 2.617 20 30 FFEDLO C[C@H](C(=O)NCc1cccs1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000078269241 507852936 /nfs/dbraw/zinc/85/29/36/507852936.db2.gz WSDUEOYFKMJXGO-VQIMIIECSA-N 1 2 368.506 2.635 20 30 FFEDLO CC(C)N(C(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1)C(C)C ZINC000078269246 507853256 /nfs/dbraw/zinc/85/32/56/507853256.db2.gz IKGNXJMDJHVYBS-QUCCMNQESA-N 1 2 356.514 2.903 20 30 FFEDLO CCn1cc(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)cn1 ZINC000072981017 507880343 /nfs/dbraw/zinc/88/03/43/507880343.db2.gz RWJZVPBYVSGHJP-UHFFFAOYSA-N 1 2 353.470 2.899 20 30 FFEDLO CCn1cc(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)cn1 ZINC000072981017 507880347 /nfs/dbraw/zinc/88/03/47/507880347.db2.gz RWJZVPBYVSGHJP-UHFFFAOYSA-N 1 2 353.470 2.899 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000078657587 507894402 /nfs/dbraw/zinc/89/44/02/507894402.db2.gz SLODNHRXZRVVFM-BTYIYWSLSA-N 1 2 371.481 2.730 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000078688087 507897856 /nfs/dbraw/zinc/89/78/56/507897856.db2.gz RHXICWNMPQMDJY-UHFFFAOYSA-N 1 2 358.417 2.529 20 30 FFEDLO COc1cc2c(cc1OC)CN(C(=O)C[N@H+](CCC#N)CC(C)(C)C)CC2 ZINC000109813807 507989104 /nfs/dbraw/zinc/98/91/04/507989104.db2.gz DXAYOGVUVJQNJK-UHFFFAOYSA-N 1 2 373.497 2.850 20 30 FFEDLO COc1cc2c(cc1OC)CN(C(=O)C[N@@H+](CCC#N)CC(C)(C)C)CC2 ZINC000109813807 507989105 /nfs/dbraw/zinc/98/91/05/507989105.db2.gz DXAYOGVUVJQNJK-UHFFFAOYSA-N 1 2 373.497 2.850 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc1Cl ZINC000091896747 508022760 /nfs/dbraw/zinc/02/27/60/508022760.db2.gz KYEKZJSVPYNTHB-OAHLLOKOSA-N 1 2 372.918 2.807 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc1Cl ZINC000091896747 508022763 /nfs/dbraw/zinc/02/27/63/508022763.db2.gz KYEKZJSVPYNTHB-OAHLLOKOSA-N 1 2 372.918 2.807 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000091892419 508023010 /nfs/dbraw/zinc/02/30/10/508023010.db2.gz JYNREPNTOBPOKW-AWEZNQCLSA-N 1 2 372.469 2.904 20 30 FFEDLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000092042292 508036474 /nfs/dbraw/zinc/03/64/74/508036474.db2.gz IYWZPXUEXVHRFN-KKSFZXQISA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000092042292 508036476 /nfs/dbraw/zinc/03/64/76/508036476.db2.gz IYWZPXUEXVHRFN-KKSFZXQISA-N 1 2 352.434 2.719 20 30 FFEDLO CC[C@@H](C)Oc1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000080170854 508046994 /nfs/dbraw/zinc/04/69/94/508046994.db2.gz OCLBUYDCASPDTF-QGZVFWFLSA-N 1 2 374.485 2.944 20 30 FFEDLO CC(C)Oc1ccccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000080168805 508047111 /nfs/dbraw/zinc/04/71/11/508047111.db2.gz FTQCMMSXXYZOCN-UHFFFAOYSA-N 1 2 360.458 2.554 20 30 FFEDLO C=CC[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361430 508064279 /nfs/dbraw/zinc/06/42/79/508064279.db2.gz CPOHKTUACTXJKE-MRXNPFEDSA-N 1 2 365.886 2.905 20 30 FFEDLO C=CC[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361430 508064282 /nfs/dbraw/zinc/06/42/82/508064282.db2.gz CPOHKTUACTXJKE-MRXNPFEDSA-N 1 2 365.886 2.905 20 30 FFEDLO N#Cc1cccc(OC2CC[NH+]([C@H]3CCN(CC(F)(F)F)C3=O)CC2)c1 ZINC000111226387 508079123 /nfs/dbraw/zinc/07/91/23/508079123.db2.gz CYVIUEVCNCIWLR-INIZCTEOSA-N 1 2 367.371 2.565 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)c1 ZINC000111242435 508081667 /nfs/dbraw/zinc/08/16/67/508081667.db2.gz VCGWNDKUZPOZLW-UHFFFAOYSA-N 1 2 364.424 2.937 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+](CCO)Cc2cnn(Cc3ccccc3)c2)c1 ZINC000111242435 508081669 /nfs/dbraw/zinc/08/16/69/508081669.db2.gz VCGWNDKUZPOZLW-UHFFFAOYSA-N 1 2 364.424 2.937 20 30 FFEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCc1ccccc1Cn1cccn1 ZINC000111250783 508082579 /nfs/dbraw/zinc/08/25/79/508082579.db2.gz BZUBEJVXWOBRBC-UHFFFAOYSA-N 1 2 367.497 2.809 20 30 FFEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCc1ccccc1Cn1cccn1 ZINC000111250783 508082581 /nfs/dbraw/zinc/08/25/81/508082581.db2.gz BZUBEJVXWOBRBC-UHFFFAOYSA-N 1 2 367.497 2.809 20 30 FFEDLO C=CCOc1ccccc1CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000111515240 508105687 /nfs/dbraw/zinc/10/56/87/508105687.db2.gz SDJSWBCNAZFFNV-UHFFFAOYSA-N 1 2 352.438 2.678 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)cc1 ZINC000092937573 508109202 /nfs/dbraw/zinc/10/92/02/508109202.db2.gz NVQBYSXYMFEBDJ-UHFFFAOYSA-N 1 2 352.434 2.915 20 30 FFEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000075863232 508139452 /nfs/dbraw/zinc/13/94/52/508139452.db2.gz QSLFTHQMTLAPAS-MGPUTAFESA-N 1 2 374.916 2.827 20 30 FFEDLO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)[C@H](C)CS(C)(=O)=O ZINC000093390161 508143829 /nfs/dbraw/zinc/14/38/29/508143829.db2.gz DXTQNCRJBVCDHU-MRXNPFEDSA-N 1 2 374.510 2.719 20 30 FFEDLO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)[C@H](C)CS(C)(=O)=O ZINC000093390161 508143831 /nfs/dbraw/zinc/14/38/31/508143831.db2.gz DXTQNCRJBVCDHU-MRXNPFEDSA-N 1 2 374.510 2.719 20 30 FFEDLO COC[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000093529423 508147914 /nfs/dbraw/zinc/14/79/14/508147914.db2.gz YFWFMHKRRGBGTN-NRFANRHFSA-N 1 2 352.434 2.984 20 30 FFEDLO COC[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000093529423 508147917 /nfs/dbraw/zinc/14/79/17/508147917.db2.gz YFWFMHKRRGBGTN-NRFANRHFSA-N 1 2 352.434 2.984 20 30 FFEDLO C=CC[N@@H+](CCOc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000093794760 508155299 /nfs/dbraw/zinc/15/52/99/508155299.db2.gz HMFUYTYCXQLDTN-ZDUSSCGKSA-N 1 2 374.300 2.503 20 30 FFEDLO C=CC[N@H+](CCOc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000093794760 508155301 /nfs/dbraw/zinc/15/53/01/508155301.db2.gz HMFUYTYCXQLDTN-ZDUSSCGKSA-N 1 2 374.300 2.503 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c(C#N)c1C ZINC000377660834 512381852 /nfs/dbraw/zinc/38/18/52/512381852.db2.gz ACYVFVRGQKCBFK-HOCLYGCPSA-N 1 2 372.469 2.572 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c(C#N)c1C ZINC000377660834 512381858 /nfs/dbraw/zinc/38/18/58/512381858.db2.gz ACYVFVRGQKCBFK-HOCLYGCPSA-N 1 2 372.469 2.572 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000081543878 508187945 /nfs/dbraw/zinc/18/79/45/508187945.db2.gz CNJGDJRZNDSBES-RBUKOAKNSA-N 1 2 364.449 2.611 20 30 FFEDLO C[C@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)Cn1cc[nH+]c1 ZINC000081799674 508212262 /nfs/dbraw/zinc/21/22/62/508212262.db2.gz KFKOUTWPRFAKJQ-OAHLLOKOSA-N 1 2 364.405 2.993 20 30 FFEDLO N#Cc1cc(F)ccc1NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000097472607 508224459 /nfs/dbraw/zinc/22/44/59/508224459.db2.gz CBBAQGQCGHWXOM-UHFFFAOYSA-N 1 2 368.412 2.926 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000101557013 508246450 /nfs/dbraw/zinc/24/64/50/508246450.db2.gz SCSDLWPTEHIITQ-CQSZACIVSA-N 1 2 353.260 2.897 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000101557013 508246451 /nfs/dbraw/zinc/24/64/51/508246451.db2.gz SCSDLWPTEHIITQ-CQSZACIVSA-N 1 2 353.260 2.897 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000114706263 508339342 /nfs/dbraw/zinc/33/93/42/508339342.db2.gz KELZRBJQAKRVFB-INIZCTEOSA-N 1 2 350.422 2.503 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000114737172 508344011 /nfs/dbraw/zinc/34/40/11/508344011.db2.gz SFEMIVLNXLSBRM-UHFFFAOYSA-N 1 2 370.478 2.731 20 30 FFEDLO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(OCC#N)cc1)c1c(F)cccc1F ZINC000115410740 508391935 /nfs/dbraw/zinc/39/19/35/508391935.db2.gz XGDJJKASMIOPCM-SFHVURJKSA-N 1 2 373.403 2.829 20 30 FFEDLO C[NH+](C)[C@@H](CNC(=O)c1ccccc1OCC#N)c1c(F)cccc1F ZINC000115413892 508391938 /nfs/dbraw/zinc/39/19/38/508391938.db2.gz RTNJOVUFDXMGIL-INIZCTEOSA-N 1 2 359.376 2.900 20 30 FFEDLO CCCOc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115596734 508415249 /nfs/dbraw/zinc/41/52/49/508415249.db2.gz NCFHKVYQORNOKJ-IBGZPJMESA-N 1 2 353.422 2.672 20 30 FFEDLO CCOc1c(Cl)cc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115597682 508416056 /nfs/dbraw/zinc/41/60/56/508416056.db2.gz AKHOXEVLHNRZPQ-QGZVFWFLSA-N 1 2 373.840 2.935 20 30 FFEDLO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115597268 508416597 /nfs/dbraw/zinc/41/65/97/508416597.db2.gz YNYOIXVGLHFKHD-KUHUBIRLSA-N 1 2 364.449 2.859 20 30 FFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccccc2OCC(F)(F)F)C(N)=O)cc1 ZINC000115597850 508416688 /nfs/dbraw/zinc/41/66/88/508416688.db2.gz OQYZAXOSPLTONX-MRXNPFEDSA-N 1 2 363.339 2.816 20 30 FFEDLO Cc1cccc(S(=O)(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1C#N ZINC000156549067 508437899 /nfs/dbraw/zinc/43/78/99/508437899.db2.gz AYWBMFHHZKUEDZ-UHFFFAOYSA-N 1 2 366.446 2.590 20 30 FFEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)cc1 ZINC000127379347 508441297 /nfs/dbraw/zinc/44/12/97/508441297.db2.gz NGBSTORENNYPJT-HXUWFJFHSA-N 1 2 355.482 2.706 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000116285905 508494398 /nfs/dbraw/zinc/49/43/98/508494398.db2.gz SDMKOXZRHZXXGV-QUCCMNQESA-N 1 2 350.418 2.988 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000116285905 508494401 /nfs/dbraw/zinc/49/44/01/508494401.db2.gz SDMKOXZRHZXXGV-QUCCMNQESA-N 1 2 350.418 2.988 20 30 FFEDLO O=S(=O)(NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000157401208 508562287 /nfs/dbraw/zinc/56/22/87/508562287.db2.gz DPTUUVXSFFWJQR-UHFFFAOYSA-N 1 2 372.465 2.620 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@H](CO)C1 ZINC000122625409 508563998 /nfs/dbraw/zinc/56/39/98/508563998.db2.gz ZENRIMDSCRLFKH-KBPBESRZSA-N 1 2 361.511 2.920 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@H](CO)C1 ZINC000122625409 508564003 /nfs/dbraw/zinc/56/40/03/508564003.db2.gz ZENRIMDSCRLFKH-KBPBESRZSA-N 1 2 361.511 2.920 20 30 FFEDLO C=CC[C@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000116973664 508574515 /nfs/dbraw/zinc/57/45/15/508574515.db2.gz FZQMMKTZKSGOLF-GUYCJALGSA-N 1 2 358.442 2.791 20 30 FFEDLO CCS[C@H](C)c1noc(CO[NH+]=C(N)Cc2ccc(OC)cc2)n1 ZINC000153359465 508575671 /nfs/dbraw/zinc/57/56/71/508575671.db2.gz YTKYOOHUYVXLLX-LLVKDONJSA-N 1 2 350.444 2.924 20 30 FFEDLO N#Cc1cc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000157588866 508584888 /nfs/dbraw/zinc/58/48/88/508584888.db2.gz CUFJULVAEAITBL-GOSISDBHSA-N 1 2 352.394 2.952 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1)C1CC1 ZINC000157591158 508584914 /nfs/dbraw/zinc/58/49/14/508584914.db2.gz XVPGHMHKUREMIX-YWZLYKJASA-N 1 2 357.429 2.529 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1)C1CC1 ZINC000157591158 508584916 /nfs/dbraw/zinc/58/49/16/508584916.db2.gz XVPGHMHKUREMIX-YWZLYKJASA-N 1 2 357.429 2.529 20 30 FFEDLO CC/C(=C/C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccc(OC)cc1 ZINC000128899086 508656926 /nfs/dbraw/zinc/65/69/26/508656926.db2.gz MVBAOPZNSVODLK-ZCXUNETKSA-N 1 2 371.481 2.563 20 30 FFEDLO N#CCSCCC[N@@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000124720558 508875343 /nfs/dbraw/zinc/87/53/43/508875343.db2.gz ZEACJWARHDCEPD-CQSZACIVSA-N 1 2 357.401 2.825 20 30 FFEDLO N#CCSCCC[N@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000124720558 508875348 /nfs/dbraw/zinc/87/53/48/508875348.db2.gz ZEACJWARHDCEPD-CQSZACIVSA-N 1 2 357.401 2.825 20 30 FFEDLO CC#CCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000155034492 508908071 /nfs/dbraw/zinc/90/80/71/508908071.db2.gz UGCQXNFPXVMGRV-UHFFFAOYSA-N 1 2 361.294 2.713 20 30 FFEDLO C=CCSc1ccccc1NC(=O)CSCC[NH+]1CCOCC1 ZINC000159971627 508919187 /nfs/dbraw/zinc/91/91/87/508919187.db2.gz DUKGMGHRXDRJJQ-UHFFFAOYSA-N 1 2 352.525 2.969 20 30 FFEDLO N#CCc1ccc(NC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)cc1 ZINC000125305149 508962211 /nfs/dbraw/zinc/96/22/11/508962211.db2.gz VUYUFPHGXJNLEW-UHFFFAOYSA-N 1 2 374.448 2.750 20 30 FFEDLO N#CCC[C@@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000151425100 509013424 /nfs/dbraw/zinc/01/34/24/509013424.db2.gz KRDUSFOFVPZSGQ-HXUWFJFHSA-N 1 2 363.465 2.954 20 30 FFEDLO N#Cc1cccc(NCC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000151608738 509051869 /nfs/dbraw/zinc/05/18/69/509051869.db2.gz OEHQPSHKTZBUDT-UHFFFAOYSA-N 1 2 359.433 2.574 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000155929815 509094966 /nfs/dbraw/zinc/09/49/66/509094966.db2.gz VTDVPZVZNUGQGZ-OAHLLOKOSA-N 1 2 350.894 2.670 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(Cl)cc1 ZINC000133100358 509116194 /nfs/dbraw/zinc/11/61/94/509116194.db2.gz PESKOHDDDUNMTN-RBUKOAKNSA-N 1 2 369.852 2.922 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(Cl)cc1 ZINC000133100358 509116200 /nfs/dbraw/zinc/11/62/00/509116200.db2.gz PESKOHDDDUNMTN-RBUKOAKNSA-N 1 2 369.852 2.922 20 30 FFEDLO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(C)[nH+]1 ZINC000156052740 509117845 /nfs/dbraw/zinc/11/78/45/509117845.db2.gz GHSCMYQBVVCLPA-IEBWSBKVSA-N 1 2 362.433 2.935 20 30 FFEDLO C=CCCOCCNC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000126967267 509153926 /nfs/dbraw/zinc/15/39/26/509153926.db2.gz XXZWDSGHVHNSCI-UHFFFAOYSA-N 1 2 351.516 2.730 20 30 FFEDLO C=CCOCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000127032278 509161257 /nfs/dbraw/zinc/16/12/57/509161257.db2.gz BZJXCQQJADZVAE-IEBWSBKVSA-N 1 2 366.889 2.811 20 30 FFEDLO C=CCOCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000127032278 509161260 /nfs/dbraw/zinc/16/12/60/509161260.db2.gz BZJXCQQJADZVAE-IEBWSBKVSA-N 1 2 366.889 2.811 20 30 FFEDLO COc1cccc(F)c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000266821949 509210992 /nfs/dbraw/zinc/21/09/92/509210992.db2.gz KWODXEXOHJUGFN-UHFFFAOYSA-N 1 2 353.397 2.664 20 30 FFEDLO CC[C@@H](C)Oc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000175970579 509246227 /nfs/dbraw/zinc/24/62/27/509246227.db2.gz YUPHIIYVHGXDQM-QGZVFWFLSA-N 1 2 359.470 2.552 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](Cc3nnc4n3CCCCC4)CC2)cc1 ZINC000264152575 509352994 /nfs/dbraw/zinc/35/29/94/509352994.db2.gz UCLGJSOPHDOKLU-UHFFFAOYSA-N 1 2 351.454 2.920 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000248599026 509384180 /nfs/dbraw/zinc/38/41/80/509384180.db2.gz BMCZMSQGXQOKEW-KPVUDJQRSA-N 1 2 367.540 2.576 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000248599026 509384186 /nfs/dbraw/zinc/38/41/86/509384186.db2.gz BMCZMSQGXQOKEW-KPVUDJQRSA-N 1 2 367.540 2.576 20 30 FFEDLO N#Cc1ccc(SCC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000264238367 509402571 /nfs/dbraw/zinc/40/25/71/509402571.db2.gz YZCHFWGSFHBKEM-UHFFFAOYSA-N 1 2 352.463 2.962 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000189154646 509439353 /nfs/dbraw/zinc/43/93/53/509439353.db2.gz DAHGIFFRMIOKFN-CQSZACIVSA-N 1 2 352.394 2.821 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000267590712 509556193 /nfs/dbraw/zinc/55/61/93/509556193.db2.gz JBIGUWGFTXBJNV-NVXWUHKLSA-N 1 2 373.453 2.619 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000267590712 509556199 /nfs/dbraw/zinc/55/61/99/509556199.db2.gz JBIGUWGFTXBJNV-NVXWUHKLSA-N 1 2 373.453 2.619 20 30 FFEDLO N#Cc1ccc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc1O ZINC000189416940 509565223 /nfs/dbraw/zinc/56/52/23/509565223.db2.gz BNRMIWBCFGGPBW-UHFFFAOYSA-N 1 2 355.825 2.705 20 30 FFEDLO N#Cc1ccc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cc1O ZINC000189416940 509565230 /nfs/dbraw/zinc/56/52/30/509565230.db2.gz BNRMIWBCFGGPBW-UHFFFAOYSA-N 1 2 355.825 2.705 20 30 FFEDLO CCOC(=O)C[N@H+]([C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C ZINC000192626754 509569261 /nfs/dbraw/zinc/56/92/61/509569261.db2.gz UYDOECYSYBNVBD-QGZVFWFLSA-N 1 2 357.454 2.717 20 30 FFEDLO CCOC(=O)C[N@@H+]([C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C ZINC000192626754 509569265 /nfs/dbraw/zinc/56/92/65/509569265.db2.gz UYDOECYSYBNVBD-QGZVFWFLSA-N 1 2 357.454 2.717 20 30 FFEDLO C[S@](=O)C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000183113789 509604858 /nfs/dbraw/zinc/60/48/58/509604858.db2.gz VOIAQQUMURLSIE-QLXKLKPCSA-N 1 2 366.446 2.818 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2nc(Cl)ccc2c1 ZINC000176627198 509617437 /nfs/dbraw/zinc/61/74/37/509617437.db2.gz ZRXFLSBXOANXDJ-UHFFFAOYSA-N 1 2 372.856 2.576 20 30 FFEDLO CC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C[C@H](O)C(F)(F)F ZINC000189543549 509629907 /nfs/dbraw/zinc/62/99/07/509629907.db2.gz PIIDZJSPOMTLHH-INIZCTEOSA-N 1 2 371.403 2.795 20 30 FFEDLO CC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C[C@H](O)C(F)(F)F ZINC000189543549 509629916 /nfs/dbraw/zinc/62/99/16/509629916.db2.gz PIIDZJSPOMTLHH-INIZCTEOSA-N 1 2 371.403 2.795 20 30 FFEDLO Cc1ncc(C[NH+]2CCN(C(=O)/C=C/c3ccc(C#N)cc3)CC2)s1 ZINC000264673750 509637648 /nfs/dbraw/zinc/63/76/48/509637648.db2.gz HJUSGKXZFXCCDV-VOTSOKGWSA-N 1 2 352.463 2.681 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OCc2cccnc2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000264716665 509663360 /nfs/dbraw/zinc/66/33/60/509663360.db2.gz NUWLOBJITWKGEE-IBGZPJMESA-N 1 2 372.490 2.836 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OCc2cccnc2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000264716665 509663362 /nfs/dbraw/zinc/66/33/62/509663362.db2.gz NUWLOBJITWKGEE-IBGZPJMESA-N 1 2 372.490 2.836 20 30 FFEDLO CCOC(=O)[C@H](CC)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000173595991 509666219 /nfs/dbraw/zinc/66/62/19/509666219.db2.gz IUCRSPLYBBWOSR-SFHVURJKSA-N 1 2 352.438 2.570 20 30 FFEDLO C[C@@H](Sc1ccccc1C#N)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000173710793 509734018 /nfs/dbraw/zinc/73/40/18/509734018.db2.gz LSEPRGKQVAQAFB-OAHLLOKOSA-N 1 2 352.463 2.783 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c(C#N)c1C ZINC000183399742 509764152 /nfs/dbraw/zinc/76/41/52/509764152.db2.gz LALLZLUJCVDTME-MRXNPFEDSA-N 1 2 357.385 2.999 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c(C#N)c1C ZINC000183399742 509764159 /nfs/dbraw/zinc/76/41/59/509764159.db2.gz LALLZLUJCVDTME-MRXNPFEDSA-N 1 2 357.385 2.999 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000268315851 509867222 /nfs/dbraw/zinc/86/72/22/509867222.db2.gz IMNVZBFKMYHWRC-AEFFLSMTSA-N 1 2 352.438 2.688 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(F)c3C#N)c[nH+]2)C[C@H](C)O1 ZINC000186715361 509868909 /nfs/dbraw/zinc/86/89/09/509868909.db2.gz NVFDWHXEJGVXPH-OKILXGFUSA-N 1 2 368.412 2.636 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@]3(C2)OCc2ccccc23)C1=O ZINC000186718473 509870271 /nfs/dbraw/zinc/87/02/71/509870271.db2.gz VTAASBYCJISXQR-YLJYHZDGSA-N 1 2 365.458 2.856 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@]3(C2)OCc2ccccc23)C1=O ZINC000186718473 509870277 /nfs/dbraw/zinc/87/02/77/509870277.db2.gz VTAASBYCJISXQR-YLJYHZDGSA-N 1 2 365.458 2.856 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)c(O)c1)c1cccc(F)c1 ZINC000190007714 509880220 /nfs/dbraw/zinc/88/02/20/509880220.db2.gz ZSSHERWSJHJFNL-QGZVFWFLSA-N 1 2 350.353 2.656 20 30 FFEDLO COc1ccc([C@H](CO)[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000177168793 509913626 /nfs/dbraw/zinc/91/36/26/509913626.db2.gz HQSGMGLEMSGEBG-KRWDZBQOSA-N 1 2 373.478 2.849 20 30 FFEDLO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000177168793 509913638 /nfs/dbraw/zinc/91/36/38/509913638.db2.gz HQSGMGLEMSGEBG-KRWDZBQOSA-N 1 2 373.478 2.849 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000265229509 509934779 /nfs/dbraw/zinc/93/47/79/509934779.db2.gz UYISWDLESGXHQF-UHFFFAOYSA-N 1 2 364.449 2.693 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc2cnccn2)c1 ZINC000177237947 509954472 /nfs/dbraw/zinc/95/44/72/509954472.db2.gz UYJVMDDWTIKOGE-KRWDZBQOSA-N 1 2 351.454 2.861 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc2cnccn2)c1 ZINC000177237947 509954480 /nfs/dbraw/zinc/95/44/80/509954480.db2.gz UYJVMDDWTIKOGE-KRWDZBQOSA-N 1 2 351.454 2.861 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000245531394 509985396 /nfs/dbraw/zinc/98/53/96/509985396.db2.gz HDWLGRXPXCAMLS-ZWKOTPCHSA-N 1 2 367.453 2.824 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000245531394 509985403 /nfs/dbraw/zinc/98/54/03/509985403.db2.gz HDWLGRXPXCAMLS-ZWKOTPCHSA-N 1 2 367.453 2.824 20 30 FFEDLO COC(=O)C[N@H+](CCC(=O)Nc1sccc1C#N)CCc1ccccc1 ZINC000180567264 509988733 /nfs/dbraw/zinc/98/87/33/509988733.db2.gz WSZDDANDUQRFHG-UHFFFAOYSA-N 1 2 371.462 2.666 20 30 FFEDLO COC(=O)C[N@@H+](CCC(=O)Nc1sccc1C#N)CCc1ccccc1 ZINC000180567264 509988742 /nfs/dbraw/zinc/98/87/42/509988742.db2.gz WSZDDANDUQRFHG-UHFFFAOYSA-N 1 2 371.462 2.666 20 30 FFEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@H](C)c2ccccc2F)CC1 ZINC000245561193 510008506 /nfs/dbraw/zinc/00/85/06/510008506.db2.gz NNCKBYYXTSSLCT-APWZRJJASA-N 1 2 360.477 2.511 20 30 FFEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@H](C)c2ccccc2F)CC1 ZINC000245561193 510008514 /nfs/dbraw/zinc/00/85/14/510008514.db2.gz NNCKBYYXTSSLCT-APWZRJJASA-N 1 2 360.477 2.511 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193772972 510062056 /nfs/dbraw/zinc/06/20/56/510062056.db2.gz YGCTUZMRJZGDJY-AWEZNQCLSA-N 1 2 369.856 2.756 20 30 FFEDLO CN(Cc1ccccc1)C(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000174576647 510188901 /nfs/dbraw/zinc/18/89/01/510188901.db2.gz NNRCDZPYRNITDY-OAQYLSRUSA-N 1 2 362.477 2.527 20 30 FFEDLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)n1 ZINC000184241962 510213709 /nfs/dbraw/zinc/21/37/09/510213709.db2.gz CWSNOVDDFAVURG-CYBMUJFWSA-N 1 2 366.450 2.798 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000245972583 510233478 /nfs/dbraw/zinc/23/34/78/510233478.db2.gz FWFKUJMFSYCYNM-SJLPKXTDSA-N 1 2 365.437 2.578 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000245972583 510233485 /nfs/dbraw/zinc/23/34/85/510233485.db2.gz FWFKUJMFSYCYNM-SJLPKXTDSA-N 1 2 365.437 2.578 20 30 FFEDLO CCc1ccc(C(=O)N2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000177993853 510364669 /nfs/dbraw/zinc/36/46/69/510364669.db2.gz KXZWDGLHYYSLRO-OAQYLSRUSA-N 1 2 363.461 2.612 20 30 FFEDLO C=CCSCCNC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000194564028 510425626 /nfs/dbraw/zinc/42/56/26/510425626.db2.gz JPMKSLVNNZDNMO-SFHVURJKSA-N 1 2 363.527 2.587 20 30 FFEDLO CCc1cnc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000266340109 510525501 /nfs/dbraw/zinc/52/55/01/510525501.db2.gz BKSMWSPKSNWGPG-UHFFFAOYSA-N 1 2 355.467 2.927 20 30 FFEDLO CC[C@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccc(OC)cc1 ZINC000269740761 510532191 /nfs/dbraw/zinc/53/21/91/510532191.db2.gz KCEZMHGWSOGKLV-GOSISDBHSA-N 1 2 373.497 2.653 20 30 FFEDLO COc1ccc(Cl)cc1CN1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191218686 510554437 /nfs/dbraw/zinc/55/44/37/510554437.db2.gz KJTIEXGYLGJBIT-UHFFFAOYSA-N 1 2 358.873 2.877 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000246560882 510556296 /nfs/dbraw/zinc/55/62/96/510556296.db2.gz KMNOHCLTPSRMDZ-YJBOKZPZSA-N 1 2 361.461 2.676 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000246560882 510556303 /nfs/dbraw/zinc/55/63/03/510556303.db2.gz KMNOHCLTPSRMDZ-YJBOKZPZSA-N 1 2 361.461 2.676 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+](CCO)Cc2ccc(C)cc2)c(C#N)c1C ZINC000181975044 510686596 /nfs/dbraw/zinc/68/65/96/510686596.db2.gz QZBDESDJLDIEJQ-UHFFFAOYSA-N 1 2 357.479 2.978 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+](CCO)Cc2ccc(C)cc2)c(C#N)c1C ZINC000181975044 510686601 /nfs/dbraw/zinc/68/66/01/510686601.db2.gz QZBDESDJLDIEJQ-UHFFFAOYSA-N 1 2 357.479 2.978 20 30 FFEDLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000185113211 510692526 /nfs/dbraw/zinc/69/25/26/510692526.db2.gz XBZGNNNEEOPWMY-MCFWBGNESA-N 1 2 367.540 2.526 20 30 FFEDLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000185113211 510692534 /nfs/dbraw/zinc/69/25/34/510692534.db2.gz XBZGNNNEEOPWMY-MCFWBGNESA-N 1 2 367.540 2.526 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000188325557 510711349 /nfs/dbraw/zinc/71/13/49/510711349.db2.gz KHNVRNOSQGDZBK-TZIWHRDSSA-N 1 2 360.498 2.713 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)cn1 ZINC000195447403 510828847 /nfs/dbraw/zinc/82/88/47/510828847.db2.gz ARSXZXMMOIUREL-UHFFFAOYSA-N 1 2 352.375 2.941 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@@H]1CCCS1 ZINC000329905162 510874365 /nfs/dbraw/zinc/87/43/65/510874365.db2.gz AMEPIGWNFDOAPT-KKUMJFAQSA-N 1 2 370.494 2.603 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@@H]1CCCS1 ZINC000329905162 510874368 /nfs/dbraw/zinc/87/43/68/510874368.db2.gz AMEPIGWNFDOAPT-KKUMJFAQSA-N 1 2 370.494 2.603 20 30 FFEDLO C[C@H](C(=O)Nc1c(F)cccc1F)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000329921093 510877694 /nfs/dbraw/zinc/87/76/94/510877694.db2.gz FLSGEQCTIPPCOC-IUODEOHRSA-N 1 2 363.412 2.664 20 30 FFEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCSC[C@@H]1c1nccs1 ZINC000329922585 510878961 /nfs/dbraw/zinc/87/89/61/510878961.db2.gz IBQDCZNKJICFJV-QWHCGFSZSA-N 1 2 363.512 2.921 20 30 FFEDLO CC[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)C1 ZINC000329928833 510879574 /nfs/dbraw/zinc/87/95/74/510879574.db2.gz YFXWUEZJTZNILJ-SPUZQDLCSA-N 1 2 365.497 2.805 20 30 FFEDLO CC[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)C1 ZINC000329928833 510879582 /nfs/dbraw/zinc/87/95/82/510879582.db2.gz YFXWUEZJTZNILJ-SPUZQDLCSA-N 1 2 365.497 2.805 20 30 FFEDLO CCN1CCN(C(=O)NC[C@H](C)c2ncc(C)s2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329945761 510884795 /nfs/dbraw/zinc/88/47/95/510884795.db2.gz GARSVQAIZOBEAN-JSGCOSHPSA-N 1 2 362.503 2.571 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)[C@@H]1C ZINC000329960231 510887345 /nfs/dbraw/zinc/88/73/45/510887345.db2.gz RLDOLUJCQCZSDM-SSGTUYFUSA-N 1 2 365.497 2.661 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)[C@@H]1C ZINC000329960231 510887352 /nfs/dbraw/zinc/88/73/52/510887352.db2.gz RLDOLUJCQCZSDM-SSGTUYFUSA-N 1 2 365.497 2.661 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000285391058 510888581 /nfs/dbraw/zinc/88/85/81/510888581.db2.gz SLNWLOJZOHYMBJ-GHTZIAJQSA-N 1 2 371.481 2.512 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000285391058 510888589 /nfs/dbraw/zinc/88/85/89/510888589.db2.gz SLNWLOJZOHYMBJ-GHTZIAJQSA-N 1 2 371.481 2.512 20 30 FFEDLO Cc1cccc([C@H](C)CNC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c1 ZINC000329967147 510888934 /nfs/dbraw/zinc/88/89/34/510888934.db2.gz SIPKVHQDBDNOOC-AEFFLSMTSA-N 1 2 355.486 2.735 20 30 FFEDLO CCN1CCN(C(=O)NCc2ccc(Cl)s2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329999787 510896999 /nfs/dbraw/zinc/89/69/99/510896999.db2.gz VIPMHZCSXZNGLD-GFCCVEGCSA-N 1 2 353.879 2.917 20 30 FFEDLO NC(=[NH+]OCCO[C@@H]1CCCCO1)c1ccc(OCc2cccnc2)cc1 ZINC000282238150 510897559 /nfs/dbraw/zinc/89/75/59/510897559.db2.gz FLPOFDNKLYUWQA-LJQANCHMSA-N 1 2 371.437 2.841 20 30 FFEDLO Cc1cc(NC(=O)c2cn([C@H]3CCOC3)nn2)c[nH+]c1N1CCCC[C@H]1C ZINC000330055283 510907588 /nfs/dbraw/zinc/90/75/88/510907588.db2.gz UCQMMNMZPHVARE-ZBFHGGJFSA-N 1 2 370.457 2.958 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)n1 ZINC000293981533 510918249 /nfs/dbraw/zinc/91/82/49/510918249.db2.gz DVFGFZRDEZBDQR-OXJNMPFZSA-N 1 2 368.456 2.839 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)n1 ZINC000293981533 510918253 /nfs/dbraw/zinc/91/82/53/510918253.db2.gz DVFGFZRDEZBDQR-OXJNMPFZSA-N 1 2 368.456 2.839 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330130511 510921973 /nfs/dbraw/zinc/92/19/73/510921973.db2.gz PCQNNJXGEFJWHS-XNJGSVPQSA-N 1 2 353.850 2.981 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330130511 510921977 /nfs/dbraw/zinc/92/19/77/510921977.db2.gz PCQNNJXGEFJWHS-XNJGSVPQSA-N 1 2 353.850 2.981 20 30 FFEDLO COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330144837 510924119 /nfs/dbraw/zinc/92/41/19/510924119.db2.gz ZVHCBDQASMJKRN-FTRWYGJKSA-N 1 2 362.470 2.810 20 30 FFEDLO COc1ccccc1CNC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330144837 510924123 /nfs/dbraw/zinc/92/41/23/510924123.db2.gz ZVHCBDQASMJKRN-FTRWYGJKSA-N 1 2 362.470 2.810 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCO[C@H](C3CC3)C2)C[C@H](C)O1 ZINC000330155937 510927236 /nfs/dbraw/zinc/92/72/36/510927236.db2.gz YMZVOBAXKXKZDP-YRNRMSPPSA-N 1 2 373.497 2.952 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCO[C@H](C3CC3)C2)C[C@H](C)O1 ZINC000330155937 510927239 /nfs/dbraw/zinc/92/72/39/510927239.db2.gz YMZVOBAXKXKZDP-YRNRMSPPSA-N 1 2 373.497 2.952 20 30 FFEDLO COc1cc(C[NH+]2CCN(Cc3noc(C(C)(C)C)n3)CC2)ccc1C#N ZINC000282342858 510938393 /nfs/dbraw/zinc/93/83/93/510938393.db2.gz OXJCDQFFMRNTJV-UHFFFAOYSA-N 1 2 369.469 2.565 20 30 FFEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1S(=O)(=O)c1ccccc1C#N)CCCC2 ZINC000282346455 510939861 /nfs/dbraw/zinc/93/98/61/510939861.db2.gz OYQDZCYCRPVSSM-KRWDZBQOSA-N 1 2 370.478 2.696 20 30 FFEDLO C=CCCN(C)C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000276494304 510939945 /nfs/dbraw/zinc/93/99/45/510939945.db2.gz VHZBABRCTHRIIS-UHFFFAOYSA-N 1 2 352.438 2.859 20 30 FFEDLO CC[C@@H]1CO[C@@H](C)CN1CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000330312239 510962217 /nfs/dbraw/zinc/96/22/17/510962217.db2.gz ODYBAYSCBXSDJO-DZGCQCFKSA-N 1 2 352.504 2.826 20 30 FFEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cc3n(n2)CCCO3)C[C@H](C)O1 ZINC000330312564 510962440 /nfs/dbraw/zinc/96/24/40/510962440.db2.gz WOBOXHMLOMKXQV-GJZGRUSLSA-N 1 2 370.453 2.911 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)CSC[C@H]2CCCCO2)CCO1 ZINC000330322962 510963441 /nfs/dbraw/zinc/96/34/41/510963441.db2.gz HFTIVRJIFPEZRU-FMKPAKJESA-N 1 2 353.488 2.899 20 30 FFEDLO C[C@H](c1cccc(NC(=O)N2CC3(C2)CCOCC3)c1)[NH+]1CCOCC1 ZINC000330333536 510967191 /nfs/dbraw/zinc/96/71/91/510967191.db2.gz PVLGWMWPTZTDDF-MRXNPFEDSA-N 1 2 359.470 2.738 20 30 FFEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000330357504 510973480 /nfs/dbraw/zinc/97/34/80/510973480.db2.gz SWOYBCQLHZNCFL-YLQAJVPDSA-N 1 2 367.877 2.648 20 30 FFEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000330357504 510973484 /nfs/dbraw/zinc/97/34/84/510973484.db2.gz SWOYBCQLHZNCFL-YLQAJVPDSA-N 1 2 367.877 2.648 20 30 FFEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000330357504 510973488 /nfs/dbraw/zinc/97/34/88/510973488.db2.gz SWOYBCQLHZNCFL-YLQAJVPDSA-N 1 2 367.877 2.648 20 30 FFEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000330357504 510973492 /nfs/dbraw/zinc/97/34/92/510973492.db2.gz SWOYBCQLHZNCFL-YLQAJVPDSA-N 1 2 367.877 2.648 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000330602983 511002183 /nfs/dbraw/zinc/00/21/83/511002183.db2.gz JMQXEIXPRFQTGY-CBGDNZLLSA-N 1 2 374.504 2.947 20 30 FFEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000297719015 511046053 /nfs/dbraw/zinc/04/60/53/511046053.db2.gz BIIYVHUEWYMYNR-HNNXBMFYSA-N 1 2 362.445 2.614 20 30 FFEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000297719015 511046059 /nfs/dbraw/zinc/04/60/59/511046059.db2.gz BIIYVHUEWYMYNR-HNNXBMFYSA-N 1 2 362.445 2.614 20 30 FFEDLO Cc1cc(C)c(NC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c(C)[nH+]1 ZINC000331322441 511060285 /nfs/dbraw/zinc/06/02/85/511060285.db2.gz LFGIAJZDLDMIEL-GFCCVEGCSA-N 1 2 358.364 2.886 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000271047514 511068578 /nfs/dbraw/zinc/06/85/78/511068578.db2.gz RUGVOSMKLIHZDQ-MRXNPFEDSA-N 1 2 355.467 2.583 20 30 FFEDLO Cc1nc(C)n(C[C@@H]2C[N@H+](Cc3ccccc3C(C)(C)C#N)CCO2)n1 ZINC000331732152 511072128 /nfs/dbraw/zinc/07/21/28/511072128.db2.gz QMSCYLBFCMOFMZ-SFHVURJKSA-N 1 2 353.470 2.597 20 30 FFEDLO Cc1nc(C)n(C[C@@H]2C[N@@H+](Cc3ccccc3C(C)(C)C#N)CCO2)n1 ZINC000331732152 511072135 /nfs/dbraw/zinc/07/21/35/511072135.db2.gz QMSCYLBFCMOFMZ-SFHVURJKSA-N 1 2 353.470 2.597 20 30 FFEDLO Cn1nccc1[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000361637338 511074475 /nfs/dbraw/zinc/07/44/75/511074475.db2.gz TWXBZONJKIZBFD-AWEZNQCLSA-N 1 2 357.845 2.763 20 30 FFEDLO Cn1nccc1[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000361637338 511074482 /nfs/dbraw/zinc/07/44/82/511074482.db2.gz TWXBZONJKIZBFD-AWEZNQCLSA-N 1 2 357.845 2.763 20 30 FFEDLO N#CC1(CS(=O)(=O)N2CC[NH+](Cc3cccs3)CC2)CCCCC1 ZINC000332494855 511083709 /nfs/dbraw/zinc/08/37/09/511083709.db2.gz WIXKBFYVXYZDOD-UHFFFAOYSA-N 1 2 367.540 2.670 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000361986500 511111738 /nfs/dbraw/zinc/11/17/38/511111738.db2.gz PNDGXPFMWRPGJN-RDTXWAMCSA-N 1 2 369.469 2.570 20 30 FFEDLO C=CCCN(C)C(=O)C(=O)N1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000297926960 511112322 /nfs/dbraw/zinc/11/23/22/511112322.db2.gz YGECBNUXIIXJFC-UHFFFAOYSA-N 1 2 368.481 2.797 20 30 FFEDLO N#CCCN(C(=O)C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1)c1ccccc1 ZINC000289858164 511118034 /nfs/dbraw/zinc/11/80/34/511118034.db2.gz LCTJFTZKCGQBIO-KRWDZBQOSA-N 1 2 357.845 2.730 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1)c1ccccc1 ZINC000289858164 511118042 /nfs/dbraw/zinc/11/80/42/511118042.db2.gz LCTJFTZKCGQBIO-KRWDZBQOSA-N 1 2 357.845 2.730 20 30 FFEDLO N#Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)nc1Cl ZINC000282874878 511143403 /nfs/dbraw/zinc/14/34/03/511143403.db2.gz CJWOYAOHEQGWKH-UHFFFAOYSA-N 1 2 356.813 2.691 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)cc1 ZINC000362964382 511280478 /nfs/dbraw/zinc/28/04/78/511280478.db2.gz KZGQWPHCSBJQHB-UHFFFAOYSA-N 1 2 368.481 2.611 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)cc1 ZINC000362964382 511280481 /nfs/dbraw/zinc/28/04/81/511280481.db2.gz KZGQWPHCSBJQHB-UHFFFAOYSA-N 1 2 368.481 2.611 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000279998266 511296627 /nfs/dbraw/zinc/29/66/27/511296627.db2.gz WJHAFSSMQNKNNC-XFKAJCMBSA-N 1 2 350.409 2.807 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000279998266 511296630 /nfs/dbraw/zinc/29/66/30/511296630.db2.gz WJHAFSSMQNKNNC-XFKAJCMBSA-N 1 2 350.409 2.807 20 30 FFEDLO C#CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1)c1ccccc1 ZINC000271755750 511312243 /nfs/dbraw/zinc/31/22/43/511312243.db2.gz YQPXUIPBPHZOSS-SFHVURJKSA-N 1 2 358.463 2.918 20 30 FFEDLO C#CCCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1 ZINC000295257005 511338951 /nfs/dbraw/zinc/33/89/51/511338951.db2.gz HGFBAFANCCLGTA-UHFFFAOYSA-N 1 2 365.433 2.881 20 30 FFEDLO C[C@H](C(=O)N[C@H]1CC[C@@H](CC#N)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000295596673 511455684 /nfs/dbraw/zinc/45/56/84/511455684.db2.gz SAKFAUKAAUZWTL-RYRKJORJSA-N 1 2 358.461 2.535 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000280521916 511497584 /nfs/dbraw/zinc/49/75/84/511497584.db2.gz BDWZPMLPVDCVSX-MRXNPFEDSA-N 1 2 367.449 2.823 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[NH+]1CCC(C)(C#N)CC1 ZINC000272561973 511498878 /nfs/dbraw/zinc/49/88/78/511498878.db2.gz LUFWQXZRRFALIR-HNNXBMFYSA-N 1 2 354.454 2.766 20 30 FFEDLO CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CC1 ZINC000272734378 511506727 /nfs/dbraw/zinc/50/67/27/511506727.db2.gz VOOWMUTYKMVWLP-UHFFFAOYSA-N 1 2 364.405 2.965 20 30 FFEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]CC(=O)N(CC)C[C@@H](C)C#N)n2)cc1 ZINC000273319226 511521829 /nfs/dbraw/zinc/52/18/29/511521829.db2.gz PCCKCISNRUHXIC-LSDHHAIUSA-N 1 2 369.469 2.958 20 30 FFEDLO CCc1ccc([C@H](COC)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000299138900 511528572 /nfs/dbraw/zinc/52/85/72/511528572.db2.gz WHUAWGODEVQORK-ROUUACIJSA-N 1 2 353.422 2.796 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CC(C)(C)CC#N)c1ccc(F)cc1 ZINC000295953996 511568022 /nfs/dbraw/zinc/56/80/22/511568022.db2.gz MEEMXHIHTWAWHD-HNNXBMFYSA-N 1 2 364.446 2.508 20 30 FFEDLO C=C(Br)C[N@H+](Cc1cncs1)C1CCN(C(C)=O)CC1 ZINC000292487547 511615977 /nfs/dbraw/zinc/61/59/77/511615977.db2.gz SRNHGESFQCUJJO-UHFFFAOYSA-N 1 2 358.305 2.865 20 30 FFEDLO C=C(Br)C[N@@H+](Cc1cncs1)C1CCN(C(C)=O)CC1 ZINC000292487547 511615981 /nfs/dbraw/zinc/61/59/81/511615981.db2.gz SRNHGESFQCUJJO-UHFFFAOYSA-N 1 2 358.305 2.865 20 30 FFEDLO CC(C)c1nc(C2CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)no1 ZINC000299565950 511663575 /nfs/dbraw/zinc/66/35/75/511663575.db2.gz ADYZIUZFWISONT-UHFFFAOYSA-N 1 2 353.426 2.883 20 30 FFEDLO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1c(F)cccc1F ZINC000296261232 511675467 /nfs/dbraw/zinc/67/54/67/511675467.db2.gz CAMXYYPNJUAOJV-XEZPLFJOSA-N 1 2 350.413 2.949 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000310054594 511771058 /nfs/dbraw/zinc/77/10/58/511771058.db2.gz UKFWHWLHOAPSMT-HNNXBMFYSA-N 1 2 361.492 2.563 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000310054594 511771061 /nfs/dbraw/zinc/77/10/61/511771061.db2.gz UKFWHWLHOAPSMT-HNNXBMFYSA-N 1 2 361.492 2.563 20 30 FFEDLO C=CCCCCNC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000284659502 511812378 /nfs/dbraw/zinc/81/23/78/511812378.db2.gz KOVDMIVEOPBQEE-MRXNPFEDSA-N 1 2 374.872 2.752 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)C1=O ZINC000281412241 511838465 /nfs/dbraw/zinc/83/84/65/511838465.db2.gz RFBDDQKPKRNPFP-UXLLHSPISA-N 1 2 369.465 2.717 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)C1=O ZINC000281412241 511838468 /nfs/dbraw/zinc/83/84/68/511838468.db2.gz RFBDDQKPKRNPFP-UXLLHSPISA-N 1 2 369.465 2.717 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)C1=O ZINC000281435029 511846106 /nfs/dbraw/zinc/84/61/06/511846106.db2.gz SUYYRSSCRRBORW-DOMZBBRYSA-N 1 2 369.387 2.751 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)C1=O ZINC000281435029 511846113 /nfs/dbraw/zinc/84/61/13/511846113.db2.gz SUYYRSSCRRBORW-DOMZBBRYSA-N 1 2 369.387 2.751 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1F ZINC000293167608 511866507 /nfs/dbraw/zinc/86/65/07/511866507.db2.gz XSYTWJHVMRBSPU-UHFFFAOYSA-N 1 2 374.441 2.561 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1=O ZINC000281527642 511880006 /nfs/dbraw/zinc/88/00/06/511880006.db2.gz ZTOIQJCPXQJQMP-BBRMVZONSA-N 1 2 358.417 2.964 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1=O ZINC000281527642 511880009 /nfs/dbraw/zinc/88/00/09/511880009.db2.gz ZTOIQJCPXQJQMP-BBRMVZONSA-N 1 2 358.417 2.964 20 30 FFEDLO N#C[C@H]1N(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCC[C@@]12CCCCO2 ZINC000366185639 511887591 /nfs/dbraw/zinc/88/75/91/511887591.db2.gz SHSUMIBRXZYFLA-CTNGQTDRSA-N 1 2 364.449 2.999 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCC(F)(F)C2)CCO1 ZINC000328647778 511906996 /nfs/dbraw/zinc/90/69/96/511906996.db2.gz ADMXCUXAEAYFGM-NFAWXSAZSA-N 1 2 356.417 2.969 20 30 FFEDLO Cc1cc([C@H]2CCCN(C([O-])=[NH+]C[C@@H]3CCCn4cc(C)[nH+]c43)C2)n[nH]1 ZINC000328662739 511912864 /nfs/dbraw/zinc/91/28/64/511912864.db2.gz XNUUDFKMODLYCW-HOTGVXAUSA-N 1 2 356.474 2.894 20 30 FFEDLO Cc1cc([C@H]2CCCN(C([O-])=[NH+]C[C@@H]3CCCn4cc(C)[nH+]c43)C2)[nH]n1 ZINC000328662739 511912873 /nfs/dbraw/zinc/91/28/73/511912873.db2.gz XNUUDFKMODLYCW-HOTGVXAUSA-N 1 2 356.474 2.894 20 30 FFEDLO O=C(Nc1cccc(N2CCNC2=O)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328740128 511924533 /nfs/dbraw/zinc/92/45/33/511924533.db2.gz MZTVTDAUJATGDP-UHFFFAOYSA-N 1 2 354.414 2.569 20 30 FFEDLO Cc1noc(CNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000328770843 511929355 /nfs/dbraw/zinc/92/93/55/511929355.db2.gz AILWNBGKGSKYRX-STQMWFEESA-N 1 2 359.430 2.513 20 30 FFEDLO Cc1nc([C@H]2CCCOC2)sc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000328778886 511931483 /nfs/dbraw/zinc/93/14/83/511931483.db2.gz DUPVGLCNOMFFBM-AWEZNQCLSA-N 1 2 367.515 2.761 20 30 FFEDLO Cc1nc([C@H]2CCCOC2)sc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000328778886 511931488 /nfs/dbraw/zinc/93/14/88/511931488.db2.gz DUPVGLCNOMFFBM-AWEZNQCLSA-N 1 2 367.515 2.761 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@@](C)(O)C3)n2)C1 ZINC000328945392 511955209 /nfs/dbraw/zinc/95/52/09/511955209.db2.gz AXCJCDRUYVZJHJ-CXAGYDPISA-N 1 2 352.504 2.767 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@@](C)(O)C3)n2)C1 ZINC000328945392 511955210 /nfs/dbraw/zinc/95/52/10/511955210.db2.gz AXCJCDRUYVZJHJ-CXAGYDPISA-N 1 2 352.504 2.767 20 30 FFEDLO CCc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)s1 ZINC000328961373 511957287 /nfs/dbraw/zinc/95/72/87/511957287.db2.gz KQSLYAPWLDERKK-CVEARBPZSA-N 1 2 364.515 2.848 20 30 FFEDLO CCc1ccc(CNC(=O)C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)s1 ZINC000328961373 511957294 /nfs/dbraw/zinc/95/72/94/511957294.db2.gz KQSLYAPWLDERKK-CVEARBPZSA-N 1 2 364.515 2.848 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1cccc(C)c1C#N ZINC000281781756 511964150 /nfs/dbraw/zinc/96/41/50/511964150.db2.gz UJJHLLWHQIFNBC-INIZCTEOSA-N 1 2 358.467 2.999 20 30 FFEDLO Cc1ccc([C@@H](NC(=O)C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)C2CC2)cc1 ZINC000328998917 511965021 /nfs/dbraw/zinc/96/50/21/511965021.db2.gz XAKBRPPHTOQLRC-ZIFCJYIRSA-N 1 2 356.470 2.705 20 30 FFEDLO Cc1ccc([C@@H](NC(=O)C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)C2CC2)cc1 ZINC000328998917 511965026 /nfs/dbraw/zinc/96/50/26/511965026.db2.gz XAKBRPPHTOQLRC-ZIFCJYIRSA-N 1 2 356.470 2.705 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC[C@@H]21 ZINC000328999617 511965148 /nfs/dbraw/zinc/96/51/48/511965148.db2.gz XEDUBFMODOLPGT-OAGGEKHMSA-N 1 2 361.490 2.639 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC[C@@H]21 ZINC000328999617 511965149 /nfs/dbraw/zinc/96/51/49/511965149.db2.gz XEDUBFMODOLPGT-OAGGEKHMSA-N 1 2 361.490 2.639 20 30 FFEDLO Cc1cccc(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)c1 ZINC000329001381 511965486 /nfs/dbraw/zinc/96/54/86/511965486.db2.gz GXWYWLZNFCBUOT-VQIMIIECSA-N 1 2 352.438 2.928 20 30 FFEDLO C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3CCc4[nH]nnc4C3)c2)C[C@@H](C)O1 ZINC000329019045 511968696 /nfs/dbraw/zinc/96/86/96/511968696.db2.gz LDISIJXRWUDGJV-FMKPAKJESA-N 1 2 369.469 2.807 20 30 FFEDLO C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3CCc4nn[nH]c4C3)c2)C[C@@H](C)O1 ZINC000329019045 511968697 /nfs/dbraw/zinc/96/86/97/511968697.db2.gz LDISIJXRWUDGJV-FMKPAKJESA-N 1 2 369.469 2.807 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)C1=O ZINC000281929519 512014294 /nfs/dbraw/zinc/01/42/94/512014294.db2.gz HVKJRXOGEFNKQT-HZPDHXFCSA-N 1 2 365.271 2.609 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)C1=O ZINC000281929519 512014300 /nfs/dbraw/zinc/01/43/00/512014300.db2.gz HVKJRXOGEFNKQT-HZPDHXFCSA-N 1 2 365.271 2.609 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)N1CCOC[C@H]1CC(F)F)C2 ZINC000329313715 512024982 /nfs/dbraw/zinc/02/49/82/512024982.db2.gz ATQILXGUEKFUCD-QWHCGFSZSA-N 1 2 370.444 2.765 20 30 FFEDLO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000329311169 512025459 /nfs/dbraw/zinc/02/54/59/512025459.db2.gz CNWPPXLMINZGCP-GFEQUFNTSA-N 1 2 372.513 2.836 20 30 FFEDLO N#CCCCCS(=O)(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000285224441 512044142 /nfs/dbraw/zinc/04/41/42/512044142.db2.gz GTYMQBMRBCCPNO-KRWDZBQOSA-N 1 2 361.467 2.724 20 30 FFEDLO COc1ccccc1N1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000329429514 512044969 /nfs/dbraw/zinc/04/49/69/512044969.db2.gz HWILONHRZNKVTF-CVEARBPZSA-N 1 2 354.454 2.937 20 30 FFEDLO Cc1nc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)ccc1-c1ccccc1 ZINC000329511028 512061048 /nfs/dbraw/zinc/06/10/48/512061048.db2.gz KIKZLXOBQAAJFE-ZWKOTPCHSA-N 1 2 352.438 2.617 20 30 FFEDLO Cc1nc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)ccc1-c1ccccc1 ZINC000329511028 512061053 /nfs/dbraw/zinc/06/10/53/512061053.db2.gz KIKZLXOBQAAJFE-ZWKOTPCHSA-N 1 2 352.438 2.617 20 30 FFEDLO O=C(NC[C@@H]1CCCCS1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000329625327 512078479 /nfs/dbraw/zinc/07/84/79/512078479.db2.gz GKNUEBGTPFUGJH-ZWKOTPCHSA-N 1 2 363.527 2.849 20 30 FFEDLO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000329638305 512080003 /nfs/dbraw/zinc/08/00/03/512080003.db2.gz YYIUVDJQSGKLHI-DNVCBOLYSA-N 1 2 366.465 2.865 20 30 FFEDLO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000329638305 512080014 /nfs/dbraw/zinc/08/00/14/512080014.db2.gz YYIUVDJQSGKLHI-DNVCBOLYSA-N 1 2 366.465 2.865 20 30 FFEDLO C[C@@H]1[N@H+](CC(=O)NC[C@H]2COc3ccccc3O2)CCC12CCOCC2 ZINC000329670131 512084565 /nfs/dbraw/zinc/08/45/65/512084565.db2.gz MQYZXVRSFZOTKD-HOTGVXAUSA-N 1 2 360.454 2.674 20 30 FFEDLO C[C@@H]1[N@@H+](CC(=O)NC[C@H]2COc3ccccc3O2)CCC12CCOCC2 ZINC000329670131 512084572 /nfs/dbraw/zinc/08/45/72/512084572.db2.gz MQYZXVRSFZOTKD-HOTGVXAUSA-N 1 2 360.454 2.674 20 30 FFEDLO C[C@H]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c2ccsc2S1(=O)=O ZINC000329684370 512086353 /nfs/dbraw/zinc/08/63/53/512086353.db2.gz YBEFIMWGVJTFNZ-LOWVWBTDSA-N 1 2 365.480 2.771 20 30 FFEDLO Cc1ccccc1[C@H]1C[C@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C1 ZINC000329686308 512086518 /nfs/dbraw/zinc/08/65/18/512086518.db2.gz BJJBYZDSYKYMOX-LNLFQRSKSA-N 1 2 367.497 2.877 20 30 FFEDLO O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329687695 512087506 /nfs/dbraw/zinc/08/75/06/512087506.db2.gz BTQOJNGOQGMZKO-CQSZACIVSA-N 1 2 374.876 2.830 20 30 FFEDLO O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329687695 512087508 /nfs/dbraw/zinc/08/75/08/512087508.db2.gz BTQOJNGOQGMZKO-CQSZACIVSA-N 1 2 374.876 2.830 20 30 FFEDLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)N[C@@H]1CCCOC1)CC2 ZINC000329734404 512092097 /nfs/dbraw/zinc/09/20/97/512092097.db2.gz KGYWRPFSWDMITJ-CABCVRRESA-N 1 2 364.515 2.522 20 30 FFEDLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)N[C@@H]1CCCOC1)CC2 ZINC000329734404 512092100 /nfs/dbraw/zinc/09/21/00/512092100.db2.gz KGYWRPFSWDMITJ-CABCVRRESA-N 1 2 364.515 2.522 20 30 FFEDLO Cc1nc(C(C)(C)[NH2+]CC(=O)N[C@@H](C)C(=O)N2CCCCC2)sc1C ZINC000329779978 512097103 /nfs/dbraw/zinc/09/71/03/512097103.db2.gz RMXUAPYPORHBLV-ZDUSSCGKSA-N 1 2 366.531 2.942 20 30 FFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000329801437 512098571 /nfs/dbraw/zinc/09/85/71/512098571.db2.gz JOVJGOOMDMGKDI-YUTCNCBUSA-N 1 2 374.407 2.995 20 30 FFEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000329844285 512103504 /nfs/dbraw/zinc/10/35/04/512103504.db2.gz XRDMUOXYYZYFSE-HDICACEKSA-N 1 2 368.437 2.532 20 30 FFEDLO Cc1cc(CCNC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc(C)c1O ZINC000329884273 512105464 /nfs/dbraw/zinc/10/54/64/512105464.db2.gz SFQXQDFNWMXBAU-SJLPKXTDSA-N 1 2 372.469 2.709 20 30 FFEDLO N#CC1(CC[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)CCCCC1 ZINC000411132635 512482068 /nfs/dbraw/zinc/48/20/68/512482068.db2.gz GVKAMSCDLMLKBG-UHFFFAOYSA-N 1 2 361.511 2.857 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000375791065 512508843 /nfs/dbraw/zinc/50/88/43/512508843.db2.gz NUAKEEHVGMPPRC-ROUUACIJSA-N 1 2 361.417 2.567 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000375791065 512508845 /nfs/dbraw/zinc/50/88/45/512508845.db2.gz NUAKEEHVGMPPRC-ROUUACIJSA-N 1 2 361.417 2.567 20 30 FFEDLO Cc1c(Cl)cnc(NC[C@]2([NH+]3CCOCC3)CCSC2)c1C#N ZINC000371695554 512531457 /nfs/dbraw/zinc/53/14/57/512531457.db2.gz XVWIEFAKZDLYKW-MRXNPFEDSA-N 1 2 352.891 2.535 20 30 FFEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378090977 512585650 /nfs/dbraw/zinc/58/56/50/512585650.db2.gz MIXBHEBEXHTAMN-CQSZACIVSA-N 1 2 362.355 2.637 20 30 FFEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378090977 512585655 /nfs/dbraw/zinc/58/56/55/512585655.db2.gz MIXBHEBEXHTAMN-CQSZACIVSA-N 1 2 362.355 2.637 20 30 FFEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378090973 512585726 /nfs/dbraw/zinc/58/57/26/512585726.db2.gz MIXBHEBEXHTAMN-AWEZNQCLSA-N 1 2 362.355 2.637 20 30 FFEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378090973 512585730 /nfs/dbraw/zinc/58/57/30/512585730.db2.gz MIXBHEBEXHTAMN-AWEZNQCLSA-N 1 2 362.355 2.637 20 30 FFEDLO C#CCOc1cc(F)ccc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000369780431 512606013 /nfs/dbraw/zinc/60/60/13/512606013.db2.gz PQNAWKIGUPDWMX-UHFFFAOYSA-N 1 2 356.401 2.735 20 30 FFEDLO CCc1ccc([C@@H](COC)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000411510726 512668018 /nfs/dbraw/zinc/66/80/18/512668018.db2.gz HDCPJCCSPVMSDE-LSDHHAIUSA-N 1 2 359.451 2.858 20 30 FFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)o2)[C@H]1c1ccc(Cl)cc1 ZINC000367874783 512701059 /nfs/dbraw/zinc/70/10/59/512701059.db2.gz PYHSXRMQGBIWLG-GDBMZVCRSA-N 1 2 365.842 2.528 20 30 FFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)o2)[C@H]1c1ccc(Cl)cc1 ZINC000367874783 512701061 /nfs/dbraw/zinc/70/10/61/512701061.db2.gz PYHSXRMQGBIWLG-GDBMZVCRSA-N 1 2 365.842 2.528 20 30 FFEDLO N#Cc1cc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)ccc1OC(F)(F)F ZINC000374241321 512721640 /nfs/dbraw/zinc/72/16/40/512721640.db2.gz LQXJBTYHOFDQFX-SNVBAGLBSA-N 1 2 350.300 2.854 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378411661 512745951 /nfs/dbraw/zinc/74/59/51/512745951.db2.gz WRNFNDGUTBIYEZ-HNNXBMFYSA-N 1 2 354.410 2.813 20 30 FFEDLO C[N@H+](CCCOCc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000384317359 512883876 /nfs/dbraw/zinc/88/38/76/512883876.db2.gz XJAUBCVZFIOXKU-UHFFFAOYSA-N 1 2 372.490 2.871 20 30 FFEDLO C[N@@H+](CCCOCc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000384317359 512883879 /nfs/dbraw/zinc/88/38/79/512883879.db2.gz XJAUBCVZFIOXKU-UHFFFAOYSA-N 1 2 372.490 2.871 20 30 FFEDLO COC(=O)[C@@H]1CSCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000412072279 512944810 /nfs/dbraw/zinc/94/48/10/512944810.db2.gz JWLAZONJFTXVOB-ZDUSSCGKSA-N 1 2 369.284 2.659 20 30 FFEDLO COC(=O)[C@@H]1CSCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000412072279 512944814 /nfs/dbraw/zinc/94/48/14/512944814.db2.gz JWLAZONJFTXVOB-ZDUSSCGKSA-N 1 2 369.284 2.659 20 30 FFEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368627638 513033803 /nfs/dbraw/zinc/03/38/03/513033803.db2.gz JBKSLELJKBJEFM-CQSZACIVSA-N 1 2 362.355 2.637 20 30 FFEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368627638 513033807 /nfs/dbraw/zinc/03/38/07/513033807.db2.gz JBKSLELJKBJEFM-CQSZACIVSA-N 1 2 362.355 2.637 20 30 FFEDLO C=CCSc1ccccc1C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000412377458 513057329 /nfs/dbraw/zinc/05/73/29/513057329.db2.gz YJZRNKVBMGWPKF-OAHLLOKOSA-N 1 2 362.495 2.580 20 30 FFEDLO C=CCSc1ccccc1C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000412377458 513057332 /nfs/dbraw/zinc/05/73/32/513057332.db2.gz YJZRNKVBMGWPKF-OAHLLOKOSA-N 1 2 362.495 2.580 20 30 FFEDLO COc1ccc(-c2noc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)n2)nn1 ZINC000450301707 513131808 /nfs/dbraw/zinc/13/18/08/513131808.db2.gz VYJMAJUXGUHJEC-UHFFFAOYSA-N 1 2 362.393 2.571 20 30 FFEDLO COc1ccc(-c2noc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)n2)nn1 ZINC000450301707 513131814 /nfs/dbraw/zinc/13/18/14/513131814.db2.gz VYJMAJUXGUHJEC-UHFFFAOYSA-N 1 2 362.393 2.571 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000424500710 513168507 /nfs/dbraw/zinc/16/85/07/513168507.db2.gz KHJGHMQMQODMFS-KGLIPLIRSA-N 1 2 364.243 2.694 20 30 FFEDLO C=CCC1(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCOCC1 ZINC000424534587 513175323 /nfs/dbraw/zinc/17/53/23/513175323.db2.gz DEUAUOHOUSWCET-UHFFFAOYSA-N 1 2 358.482 2.508 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cc1 ZINC000446071193 513177487 /nfs/dbraw/zinc/17/74/87/513177487.db2.gz IMTMZHJZYNDHRP-GVDBMIGSSA-N 1 2 359.470 2.830 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cc1 ZINC000446071193 513177492 /nfs/dbraw/zinc/17/74/92/513177492.db2.gz IMTMZHJZYNDHRP-GVDBMIGSSA-N 1 2 359.470 2.830 20 30 FFEDLO C=C[C@@H](CC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1ccccc1 ZINC000433973048 513202701 /nfs/dbraw/zinc/20/27/01/513202701.db2.gz DHSGWBJGTDOILP-INIZCTEOSA-N 1 2 363.461 2.828 20 30 FFEDLO C=C[C@@H](CC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1ccccc1 ZINC000433973048 513202706 /nfs/dbraw/zinc/20/27/06/513202706.db2.gz DHSGWBJGTDOILP-INIZCTEOSA-N 1 2 363.461 2.828 20 30 FFEDLO CN(C)c1nc(N2CC[C@@H](Oc3ccc(C#N)cn3)C2)[nH+]c2ccccc21 ZINC000450537953 513240827 /nfs/dbraw/zinc/24/08/27/513240827.db2.gz FYKMDEBNTUOAPH-OAHLLOKOSA-N 1 2 360.421 2.620 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000429014376 513254081 /nfs/dbraw/zinc/25/40/81/513254081.db2.gz WFJXBWGPVBUXDT-ZIAGYGMSSA-N 1 2 366.868 2.750 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000429014376 513254088 /nfs/dbraw/zinc/25/40/88/513254088.db2.gz WFJXBWGPVBUXDT-ZIAGYGMSSA-N 1 2 366.868 2.750 20 30 FFEDLO CCc1cc(CCC[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)on1 ZINC000450609484 513271337 /nfs/dbraw/zinc/27/13/37/513271337.db2.gz DVQCJDRYDACECW-VBKZILBWSA-N 1 2 350.422 2.515 20 30 FFEDLO CCc1cc(CCC[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)on1 ZINC000450609484 513271345 /nfs/dbraw/zinc/27/13/45/513271345.db2.gz DVQCJDRYDACECW-VBKZILBWSA-N 1 2 350.422 2.515 20 30 FFEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000429227025 513308343 /nfs/dbraw/zinc/30/83/43/513308343.db2.gz MSIFEWAXHIRECE-HNNXBMFYSA-N 1 2 352.413 2.847 20 30 FFEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000429227025 513308348 /nfs/dbraw/zinc/30/83/48/513308348.db2.gz MSIFEWAXHIRECE-HNNXBMFYSA-N 1 2 352.413 2.847 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000425138494 513424903 /nfs/dbraw/zinc/42/49/03/513424903.db2.gz YRNQIXVNMLRLSG-MRXNPFEDSA-N 1 2 365.481 2.723 20 30 FFEDLO Cc1cc(N2CCN(C(=O)Cc3cccc(Cl)c3)CC2)c(C#N)c[nH+]1 ZINC000425230351 513463994 /nfs/dbraw/zinc/46/39/94/513463994.db2.gz LUBPWJUSCGIGRA-UHFFFAOYSA-N 1 2 354.841 2.806 20 30 FFEDLO C[C@H](O)CNc1cc(NC2CCC(Oc3ccccc3C#N)CC2)nc[nH+]1 ZINC000413133295 513470912 /nfs/dbraw/zinc/47/09/12/513470912.db2.gz BVCQGNZNHXSPAV-OOHWJJMZSA-N 1 2 367.453 2.943 20 30 FFEDLO C[C@H](O)CNc1cc(NC2CCC(Oc3ccccc3C#N)CC2)[nH+]cn1 ZINC000413133295 513470920 /nfs/dbraw/zinc/47/09/20/513470920.db2.gz BVCQGNZNHXSPAV-OOHWJJMZSA-N 1 2 367.453 2.943 20 30 FFEDLO CCN(C[C@H](O)COc1ccc(CCOC)cc1)c1cc(C)[nH+]cc1C#N ZINC000425269683 513485375 /nfs/dbraw/zinc/48/53/75/513485375.db2.gz RJFPXGLMXJAEIM-IBGZPJMESA-N 1 2 369.465 2.717 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCCN(c4nccs4)CC3)o2)c1 ZINC000441210118 513513374 /nfs/dbraw/zinc/51/33/74/513513374.db2.gz OISRLEJLXIIDCL-UHFFFAOYSA-N 1 2 366.450 2.777 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCCN(c4nccs4)CC3)o2)c1 ZINC000441210118 513513382 /nfs/dbraw/zinc/51/33/82/513513382.db2.gz OISRLEJLXIIDCL-UHFFFAOYSA-N 1 2 366.450 2.777 20 30 FFEDLO COC(=O)[C@@H]1C[N@H+](Cc2nc(C#N)cs2)C[C@H]1c1ccc(F)cc1F ZINC000425345937 513521738 /nfs/dbraw/zinc/52/17/38/513521738.db2.gz HWEXYJNOXOFXTM-UONOGXRCSA-N 1 2 363.389 2.682 20 30 FFEDLO COC(=O)[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)C[C@H]1c1ccc(F)cc1F ZINC000425345937 513521747 /nfs/dbraw/zinc/52/17/47/513521747.db2.gz HWEXYJNOXOFXTM-UONOGXRCSA-N 1 2 363.389 2.682 20 30 FFEDLO COCC[N@H+](Cc1cncs1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447833196 513589278 /nfs/dbraw/zinc/58/92/78/513589278.db2.gz NUGSMSSVGOCKKN-GOSISDBHSA-N 1 2 370.478 2.659 20 30 FFEDLO COCC[N@@H+](Cc1cncs1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447833196 513589285 /nfs/dbraw/zinc/58/92/85/513589285.db2.gz NUGSMSSVGOCKKN-GOSISDBHSA-N 1 2 370.478 2.659 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(NC[C@H]2CCO[C@@H]2C(=C)C)nc[nH+]1 ZINC000435602399 513632645 /nfs/dbraw/zinc/63/26/45/513632645.db2.gz CKYFXEKDDCGDNO-SMOSDQRPSA-N 1 2 358.486 2.685 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(NC[C@H]2CCO[C@@H]2C(=C)C)[nH+]cn1 ZINC000435602399 513632649 /nfs/dbraw/zinc/63/26/49/513632649.db2.gz CKYFXEKDDCGDNO-SMOSDQRPSA-N 1 2 358.486 2.685 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451273004 513644470 /nfs/dbraw/zinc/64/44/70/513644470.db2.gz WHHQIUIGIQCAFA-FQELHTAISA-N 1 2 367.424 2.685 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451273004 513644474 /nfs/dbraw/zinc/64/44/74/513644474.db2.gz WHHQIUIGIQCAFA-FQELHTAISA-N 1 2 367.424 2.685 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccccn2)cc1 ZINC000451376122 513709460 /nfs/dbraw/zinc/70/94/60/513709460.db2.gz LILYBOHAUGHYMJ-UHFFFAOYSA-N 1 2 352.438 2.859 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccccn2)cc1 ZINC000451376122 513709464 /nfs/dbraw/zinc/70/94/64/513709464.db2.gz LILYBOHAUGHYMJ-UHFFFAOYSA-N 1 2 352.438 2.859 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C#N)n2C)[C@H](C)C1 ZINC000451453114 513760499 /nfs/dbraw/zinc/76/04/99/513760499.db2.gz GWGJJYVAPWFZOD-MRXNPFEDSA-N 1 2 366.465 2.642 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C#N)n2C)[C@H](C)C1 ZINC000451453114 513760501 /nfs/dbraw/zinc/76/05/01/513760501.db2.gz GWGJJYVAPWFZOD-MRXNPFEDSA-N 1 2 366.465 2.642 20 30 FFEDLO C=CCOc1ccccc1C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442820417 513787452 /nfs/dbraw/zinc/78/74/52/513787452.db2.gz SKGPVBHBPPYPBD-NRFANRHFSA-N 1 2 374.481 2.787 20 30 FFEDLO COc1cc(C[NH+]2CCN(C(=O)Cc3ccccc3C)CC2)ccc1C#N ZINC000442877330 513801807 /nfs/dbraw/zinc/80/18/07/513801807.db2.gz AONKDIXGQUZUHJ-UHFFFAOYSA-N 1 2 363.461 2.762 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)cc1F ZINC000436269032 513814570 /nfs/dbraw/zinc/81/45/70/513814570.db2.gz WFDBBHRIXYPYOQ-RTWAWAEBSA-N 1 2 351.425 2.783 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)cc1F ZINC000436269032 513814572 /nfs/dbraw/zinc/81/45/72/513814572.db2.gz WFDBBHRIXYPYOQ-RTWAWAEBSA-N 1 2 351.425 2.783 20 30 FFEDLO N#Cc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cc1F ZINC000436269032 513814575 /nfs/dbraw/zinc/81/45/75/513814575.db2.gz WFDBBHRIXYPYOQ-RTWAWAEBSA-N 1 2 351.425 2.783 20 30 FFEDLO N#Cc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cc1F ZINC000436269032 513814578 /nfs/dbraw/zinc/81/45/78/513814578.db2.gz WFDBBHRIXYPYOQ-RTWAWAEBSA-N 1 2 351.425 2.783 20 30 FFEDLO N#Cc1ncn(CC(=O)Nc2ccc(Oc3cc[nH+]cc3)c(Cl)c2)n1 ZINC000426431731 513939014 /nfs/dbraw/zinc/93/90/14/513939014.db2.gz FBZFLCRZVZRCJT-UHFFFAOYSA-N 1 2 354.757 2.629 20 30 FFEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cc(C#N)[nH]c3C)CC2)c1 ZINC000448914074 513966875 /nfs/dbraw/zinc/96/68/75/513966875.db2.gz UDORUYYEWIYKEF-HNNXBMFYSA-N 1 2 352.438 2.722 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1 ZINC000414144121 513986906 /nfs/dbraw/zinc/98/69/06/513986906.db2.gz OECSMXLSEZHYMK-LJQANCHMSA-N 1 2 369.421 2.771 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1 ZINC000414144121 513986914 /nfs/dbraw/zinc/98/69/14/513986914.db2.gz OECSMXLSEZHYMK-LJQANCHMSA-N 1 2 369.421 2.771 20 30 FFEDLO C=CCn1c(SC[C@@H](O)C[N@H+](C)CCC#N)nnc1-c1ccc(C)cc1 ZINC000414161813 513994610 /nfs/dbraw/zinc/99/46/10/513994610.db2.gz KTAIZEIMEZRBPN-KRWDZBQOSA-N 1 2 371.510 2.738 20 30 FFEDLO C=CCn1c(SC[C@@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccc(C)cc1 ZINC000414161813 513994612 /nfs/dbraw/zinc/99/46/12/513994612.db2.gz KTAIZEIMEZRBPN-KRWDZBQOSA-N 1 2 371.510 2.738 20 30 FFEDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000452012306 514135001 /nfs/dbraw/zinc/13/50/01/514135001.db2.gz LVPKTCNLCBSOFN-OAHLLOKOSA-N 1 2 369.387 2.672 20 30 FFEDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000452012306 514135008 /nfs/dbraw/zinc/13/50/08/514135008.db2.gz LVPKTCNLCBSOFN-OAHLLOKOSA-N 1 2 369.387 2.672 20 30 FFEDLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000432263945 514142156 /nfs/dbraw/zinc/14/21/56/514142156.db2.gz JHLOHGBLNKYELY-QGZVFWFLSA-N 1 2 352.419 2.691 20 30 FFEDLO C=CCc1cc(C[NH2+]Cc2nn(C)cc2Br)cc(OC)c1O ZINC000449484544 514224715 /nfs/dbraw/zinc/22/47/15/514224715.db2.gz MTTGWMSMGIYEHV-UHFFFAOYSA-N 1 2 366.259 2.915 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2cccc(SCC#N)c2)CCO1 ZINC000432882530 514312680 /nfs/dbraw/zinc/31/26/80/514312680.db2.gz ALKURHYBDVTTQU-PBHICJAKSA-N 1 2 356.451 2.686 20 30 FFEDLO CC(C)C[N@H+](Cc1nnnn1C1CCOCC1)Cc1ccc(C#N)cc1 ZINC000432940799 514330805 /nfs/dbraw/zinc/33/08/05/514330805.db2.gz SXNVKQLBUXYSKQ-UHFFFAOYSA-N 1 2 354.458 2.554 20 30 FFEDLO CC(C)C[N@@H+](Cc1nnnn1C1CCOCC1)Cc1ccc(C#N)cc1 ZINC000432940799 514330811 /nfs/dbraw/zinc/33/08/11/514330811.db2.gz SXNVKQLBUXYSKQ-UHFFFAOYSA-N 1 2 354.458 2.554 20 30 FFEDLO Cc1cc(CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc(C)[nH+]1 ZINC000420850039 514334541 /nfs/dbraw/zinc/33/45/41/514334541.db2.gz PCPLJVQRDDLDGI-IBGZPJMESA-N 1 2 350.422 2.853 20 30 FFEDLO N#Cc1ccc(OCc2ccc(C(=O)N[C@H]3CCn4cc[nH+]c4C3)o2)cc1 ZINC000427988096 514367471 /nfs/dbraw/zinc/36/74/71/514367471.db2.gz DDOHQODPRWBVEP-HNNXBMFYSA-N 1 2 362.389 2.672 20 30 FFEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000449834328 514378596 /nfs/dbraw/zinc/37/85/96/514378596.db2.gz JWLLHEQJBCHILV-AUUYWEPGSA-N 1 2 371.872 2.572 20 30 FFEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000449834328 514378603 /nfs/dbraw/zinc/37/86/03/514378603.db2.gz JWLLHEQJBCHILV-AUUYWEPGSA-N 1 2 371.872 2.572 20 30 FFEDLO COC(=O)c1cc([C@H](C)[NH+]2CCN(c3snc(C)c3C#N)CC2)oc1C ZINC000433183878 514409176 /nfs/dbraw/zinc/40/91/76/514409176.db2.gz VTVDTSSFQCGTHE-LBPRGKRZSA-N 1 2 374.466 2.894 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC000421036437 514452257 /nfs/dbraw/zinc/45/22/57/514452257.db2.gz JAIYEFHWKGYVJU-OAHLLOKOSA-N 1 2 359.470 2.676 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC000421036437 514452261 /nfs/dbraw/zinc/45/22/61/514452261.db2.gz JAIYEFHWKGYVJU-OAHLLOKOSA-N 1 2 359.470 2.676 20 30 FFEDLO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+](C)CC(C)(C)C#N)c1 ZINC000433309922 514453854 /nfs/dbraw/zinc/45/38/54/514453854.db2.gz FKSNNSYLKHWDRA-QGZVFWFLSA-N 1 2 359.470 2.849 20 30 FFEDLO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000433309922 514453862 /nfs/dbraw/zinc/45/38/62/514453862.db2.gz FKSNNSYLKHWDRA-QGZVFWFLSA-N 1 2 359.470 2.849 20 30 FFEDLO N#Cc1cnc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000450215477 514545224 /nfs/dbraw/zinc/54/52/24/514545224.db2.gz NGDIVMJZYJRBGH-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439447732 514554503 /nfs/dbraw/zinc/55/45/03/514554503.db2.gz GEOMIQHNPGYRSU-OAHLLOKOSA-N 1 2 374.916 2.777 20 30 FFEDLO CC(C)(C)CN1CCC[C@@H]([NH+]2CCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC000461395891 514591247 /nfs/dbraw/zinc/59/12/47/514591247.db2.gz ANOAUKKGYMREIX-HXUWFJFHSA-N 1 2 368.525 2.713 20 30 FFEDLO CC(C)(C)CN1CCC[C@@H](N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000461395891 514591251 /nfs/dbraw/zinc/59/12/51/514591251.db2.gz ANOAUKKGYMREIX-HXUWFJFHSA-N 1 2 368.525 2.713 20 30 FFEDLO C=CCc1cc(C[NH2+]Cc2ncnn2-c2ccccc2)cc(OC)c1O ZINC000475291953 514606292 /nfs/dbraw/zinc/60/62/92/514606292.db2.gz QXTRAPKKUXIJHW-UHFFFAOYSA-N 1 2 350.422 3.000 20 30 FFEDLO C[C@H]([NH2+]Cc1nn(C)cc1I)c1cccc(C#N)c1 ZINC000453365824 514609659 /nfs/dbraw/zinc/60/96/59/514609659.db2.gz LQAHEZZZKIVAGF-JTQLQIEISA-N 1 2 366.206 2.747 20 30 FFEDLO CC(C)(CCC#N)CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000479671604 514680776 /nfs/dbraw/zinc/68/07/76/514680776.db2.gz GQALCMKVBUYYMU-GOSISDBHSA-N 1 2 358.486 2.689 20 30 FFEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000502540537 514686530 /nfs/dbraw/zinc/68/65/30/514686530.db2.gz MRDDUHWVPAWINN-OAQYLSRUSA-N 1 2 371.481 2.592 20 30 FFEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471011254 514717021 /nfs/dbraw/zinc/71/70/21/514717021.db2.gz IVEQOZPTELGQOF-APWZRJJASA-N 1 2 374.916 2.923 20 30 FFEDLO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471017555 514718612 /nfs/dbraw/zinc/71/86/12/514718612.db2.gz FJDHMUJQKNAFLT-RLFYNMQTSA-N 1 2 362.905 2.825 20 30 FFEDLO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471017553 514719034 /nfs/dbraw/zinc/71/90/34/514719034.db2.gz FJDHMUJQKNAFLT-HDMKZQKVSA-N 1 2 362.905 2.825 20 30 FFEDLO Cc1[nH][nH]c(=NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)c1C#N ZINC000508495081 514798244 /nfs/dbraw/zinc/79/82/44/514798244.db2.gz XHLWITBEHIKZIR-UHFFFAOYSA-N 1 2 359.433 2.896 20 30 FFEDLO Cc1[nH][nH]c(=NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)c1C#N ZINC000508495081 514798253 /nfs/dbraw/zinc/79/82/53/514798253.db2.gz XHLWITBEHIKZIR-UHFFFAOYSA-N 1 2 359.433 2.896 20 30 FFEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2sc3ccc(C#N)cc3c2C)CCO1 ZINC000508577672 514827150 /nfs/dbraw/zinc/82/71/50/514827150.db2.gz IQYYVHGBIIABRR-OAHLLOKOSA-N 1 2 357.479 2.922 20 30 FFEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2sc3ccc(C#N)cc3c2C)CCO1 ZINC000508577672 514827161 /nfs/dbraw/zinc/82/71/61/514827161.db2.gz IQYYVHGBIIABRR-OAHLLOKOSA-N 1 2 357.479 2.922 20 30 FFEDLO COCC[N@H+](Cc1cc(C#N)ccc1Br)[C@@H]1CCO[C@@H]1C ZINC000489457097 514854492 /nfs/dbraw/zinc/85/44/92/514854492.db2.gz BDOWCRJRIGQUTF-MLGOLLRUSA-N 1 2 353.260 2.947 20 30 FFEDLO COCC[N@@H+](Cc1cc(C#N)ccc1Br)[C@@H]1CCO[C@@H]1C ZINC000489457097 514854500 /nfs/dbraw/zinc/85/45/00/514854500.db2.gz BDOWCRJRIGQUTF-MLGOLLRUSA-N 1 2 353.260 2.947 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503194168 514952163 /nfs/dbraw/zinc/95/21/63/514952163.db2.gz MAOSELXCIINSAW-FVJLSDCUSA-N 1 2 372.513 2.581 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503194168 514952172 /nfs/dbraw/zinc/95/21/72/514952172.db2.gz MAOSELXCIINSAW-FVJLSDCUSA-N 1 2 372.513 2.581 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC(F)(C#N)CC1)c1cccc(F)c1 ZINC000476296182 514988714 /nfs/dbraw/zinc/98/87/14/514988714.db2.gz NVOKGDOJBRNWGT-OAHLLOKOSA-N 1 2 359.380 2.686 20 30 FFEDLO Cc1cccc2[nH+]c(CNS(=O)(=O)c3ccc(C#N)cc3Cl)cn21 ZINC000503470217 515045875 /nfs/dbraw/zinc/04/58/75/515045875.db2.gz ONCUESVSWRAWOG-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cnn(C)c2C#N)CC1 ZINC000476536412 515091218 /nfs/dbraw/zinc/09/12/18/515091218.db2.gz AXCONLCRZSQOOW-UHFFFAOYSA-N 1 2 362.437 2.681 20 30 FFEDLO CCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490075729 515091305 /nfs/dbraw/zinc/09/13/05/515091305.db2.gz ZAECHAROWSVQJY-KKSFZXQISA-N 1 2 370.497 2.843 20 30 FFEDLO CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490075729 515091311 /nfs/dbraw/zinc/09/13/11/515091311.db2.gz ZAECHAROWSVQJY-KKSFZXQISA-N 1 2 370.497 2.843 20 30 FFEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2[nH+]ccn2C)cc1C ZINC000485564483 515092867 /nfs/dbraw/zinc/09/28/67/515092867.db2.gz BSKMWXKBKGOCJL-UHFFFAOYSA-N 1 2 362.437 2.744 20 30 FFEDLO N#CCCC[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000458796625 515102000 /nfs/dbraw/zinc/10/20/00/515102000.db2.gz FAYIGSQIGRLJDL-VQTJNVASSA-N 1 2 370.497 2.928 20 30 FFEDLO Cc1nc(SCC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)c(C#N)c(C)c1C ZINC000456393792 515152056 /nfs/dbraw/zinc/15/20/56/515152056.db2.gz RPTATWYWDYOGCG-BONVTDFDSA-N 1 2 355.467 2.989 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@H](C(C)C)C2)cc1 ZINC000481286272 515276680 /nfs/dbraw/zinc/27/66/80/515276680.db2.gz OLVSESFTSJWUDC-LJQANCHMSA-N 1 2 359.470 2.689 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@H](C(C)C)C2)cc1 ZINC000481286272 515276685 /nfs/dbraw/zinc/27/66/85/515276685.db2.gz OLVSESFTSJWUDC-LJQANCHMSA-N 1 2 359.470 2.689 20 30 FFEDLO C=C(CC)CNC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000459071537 515301832 /nfs/dbraw/zinc/30/18/32/515301832.db2.gz HGIZEOJWUJNKQN-UHFFFAOYSA-N 1 2 361.877 2.781 20 30 FFEDLO CN(Cc1ccccc1)C(=O)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000509977500 515388530 /nfs/dbraw/zinc/38/85/30/515388530.db2.gz TXGYSQFSYSMVNS-UHFFFAOYSA-N 1 2 354.479 2.989 20 30 FFEDLO N#Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000486249384 515400011 /nfs/dbraw/zinc/40/00/11/515400011.db2.gz JBSJPCACUKYPFM-UHFFFAOYSA-N 1 2 368.868 2.968 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(OC)ccc2Br)C1=O ZINC000499738530 515435370 /nfs/dbraw/zinc/43/53/70/515435370.db2.gz KSHXLXYPXDWWJF-OAHLLOKOSA-N 1 2 353.260 2.676 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(OC)ccc2Br)C1=O ZINC000499738530 515435381 /nfs/dbraw/zinc/43/53/81/515435381.db2.gz KSHXLXYPXDWWJF-OAHLLOKOSA-N 1 2 353.260 2.676 20 30 FFEDLO N#CCCN(Cc1ccco1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492081573 515499754 /nfs/dbraw/zinc/49/97/54/515499754.db2.gz PRPLQGLHVLKOMB-UHFFFAOYSA-N 1 2 350.382 2.867 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c(Cl)c1 ZINC000459512196 515606818 /nfs/dbraw/zinc/60/68/18/515606818.db2.gz PUSFUMZWTIWLGH-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO COC(=O)c1cccc2c1CC[N@@H+]([C@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000459540755 515633018 /nfs/dbraw/zinc/63/30/18/515633018.db2.gz RJJVKWADWFXWOO-OAHLLOKOSA-N 1 2 369.465 2.562 20 30 FFEDLO COC(=O)c1cccc2c1CC[N@H+]([C@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000459540755 515633024 /nfs/dbraw/zinc/63/30/24/515633024.db2.gz RJJVKWADWFXWOO-OAHLLOKOSA-N 1 2 369.465 2.562 20 30 FFEDLO Cc1cc(C[NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1C#N ZINC000486805548 515641437 /nfs/dbraw/zinc/64/14/37/515641437.db2.gz WFYSDVYRBFPOPT-UHFFFAOYSA-N 1 2 369.490 2.514 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000505735838 515651322 /nfs/dbraw/zinc/65/13/22/515651322.db2.gz IVWMQAHMQVHHSM-FQEVSTJZSA-N 1 2 370.453 2.723 20 30 FFEDLO CCc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000469069478 515656100 /nfs/dbraw/zinc/65/61/00/515656100.db2.gz WKFBHWQUPBIGOU-UHFFFAOYSA-N 1 2 369.490 2.627 20 30 FFEDLO C=CCn1c(C)cc(C(=O)CN2CC[NH+](Cc3c(C)noc3C)CC2)c1C ZINC000505809735 515680654 /nfs/dbraw/zinc/68/06/54/515680654.db2.gz RRAQTOOQBTYCIM-UHFFFAOYSA-N 1 2 370.497 2.896 20 30 FFEDLO COc1cc(C)c([C@H](C)NC(=O)C[NH+]2CCC(F)(C#N)CC2)cc1OC ZINC000510886326 515702099 /nfs/dbraw/zinc/70/20/99/515702099.db2.gz DXDRYJGHXNLENU-AWEZNQCLSA-N 1 2 363.433 2.517 20 30 FFEDLO COc1ccc(CN(C)C(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)cc1F ZINC000510906513 515710065 /nfs/dbraw/zinc/71/00/65/515710065.db2.gz ZOSUEXIYJPVKHC-CYBMUJFWSA-N 1 2 351.397 2.509 20 30 FFEDLO C[C@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccc(Br)cc1 ZINC000510950191 515724140 /nfs/dbraw/zinc/72/41/40/515724140.db2.gz IWFXUWBYUUOSBU-LBPRGKRZSA-N 1 2 368.250 2.954 20 30 FFEDLO N#CC1(F)CCN(C(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000506608182 515930379 /nfs/dbraw/zinc/93/03/79/515930379.db2.gz HLLWZXOLKSMJMI-UHFFFAOYSA-N 1 2 368.368 2.667 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000464723776 515935294 /nfs/dbraw/zinc/93/52/94/515935294.db2.gz CIRDUKQXGHAAAA-SFHVURJKSA-N 1 2 352.482 2.952 20 30 FFEDLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000464825505 515976962 /nfs/dbraw/zinc/97/69/62/515976962.db2.gz BJIDDDUTRICCHZ-HXUWFJFHSA-N 1 2 363.417 2.659 20 30 FFEDLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000464825505 515976973 /nfs/dbraw/zinc/97/69/73/515976973.db2.gz BJIDDDUTRICCHZ-HXUWFJFHSA-N 1 2 363.417 2.659 20 30 FFEDLO Cc1ccc(C[N@H+](CCO)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)o1 ZINC000483224697 515991834 /nfs/dbraw/zinc/99/18/34/515991834.db2.gz YEIXXDZZWYHGHT-UHFFFAOYSA-N 1 2 369.465 2.946 20 30 FFEDLO Cc1ccc(C[N@@H+](CCO)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)o1 ZINC000483224697 515991841 /nfs/dbraw/zinc/99/18/41/515991841.db2.gz YEIXXDZZWYHGHT-UHFFFAOYSA-N 1 2 369.465 2.946 20 30 FFEDLO COCC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(C)o1 ZINC000470017822 516081879 /nfs/dbraw/zinc/08/18/79/516081879.db2.gz KWZLODMRGWCGOB-UHFFFAOYSA-N 1 2 355.438 2.983 20 30 FFEDLO COCC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(C)o1 ZINC000470017822 516081891 /nfs/dbraw/zinc/08/18/91/516081891.db2.gz KWZLODMRGWCGOB-UHFFFAOYSA-N 1 2 355.438 2.983 20 30 FFEDLO C=C[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000495244136 516117540 /nfs/dbraw/zinc/11/75/40/516117540.db2.gz QJENHWYCSFSVJZ-GOSISDBHSA-N 1 2 373.497 2.812 20 30 FFEDLO C=C[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000495244136 516117544 /nfs/dbraw/zinc/11/75/44/516117544.db2.gz QJENHWYCSFSVJZ-GOSISDBHSA-N 1 2 373.497 2.812 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)N(C)Cc1cccc(OC)c1)Cc1ccc(CO)o1 ZINC000512178827 516186279 /nfs/dbraw/zinc/18/62/79/516186279.db2.gz JNMMIFYYLAZEKZ-UHFFFAOYSA-N 1 2 372.465 2.817 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)N(C)Cc1cccc(OC)c1)Cc1ccc(CO)o1 ZINC000512178827 516186283 /nfs/dbraw/zinc/18/62/83/516186283.db2.gz JNMMIFYYLAZEKZ-UHFFFAOYSA-N 1 2 372.465 2.817 20 30 FFEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000507387132 516199270 /nfs/dbraw/zinc/19/92/70/516199270.db2.gz RUTMKUMYZYAZLE-UHFFFAOYSA-N 1 2 363.343 2.777 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)N[C@H]1CCOc2ccccc21)Cc1ccc(CO)o1 ZINC000512213140 516199669 /nfs/dbraw/zinc/19/96/69/516199669.db2.gz QOJNHVDXXPDYRW-IBGZPJMESA-N 1 2 370.449 2.790 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)N[C@H]1CCOc2ccccc21)Cc1ccc(CO)o1 ZINC000512213140 516199675 /nfs/dbraw/zinc/19/96/75/516199675.db2.gz QOJNHVDXXPDYRW-IBGZPJMESA-N 1 2 370.449 2.790 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cnn(CC(F)(F)F)c3)CC2)c(F)c1 ZINC000512230811 516204128 /nfs/dbraw/zinc/20/41/28/516204128.db2.gz UXFGYRYQVVPXHT-UHFFFAOYSA-N 1 2 367.350 2.778 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000502030096 516288087 /nfs/dbraw/zinc/28/80/87/516288087.db2.gz ZKGHNJLVVRUFDL-KKSFZXQISA-N 1 2 365.481 2.673 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000502030096 516288092 /nfs/dbraw/zinc/28/80/92/516288092.db2.gz ZKGHNJLVVRUFDL-KKSFZXQISA-N 1 2 365.481 2.673 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c1 ZINC000512723581 516337394 /nfs/dbraw/zinc/33/73/94/516337394.db2.gz VIJZZTKDBSLMNF-IBGZPJMESA-N 1 2 352.413 2.550 20 30 FFEDLO N#Cc1ccccc1CSCC[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000550630238 516359532 /nfs/dbraw/zinc/35/95/32/516359532.db2.gz YCYDEICJMVIQLN-QGZVFWFLSA-N 1 2 350.451 2.684 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2coc3ccc(C(C)C)cc32)c1C#N ZINC000554288801 516363618 /nfs/dbraw/zinc/36/36/18/516363618.db2.gz CAFUFUIOYSRYBA-UHFFFAOYSA-N 1 2 365.437 2.977 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+]([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528363237 516380039 /nfs/dbraw/zinc/38/00/39/516380039.db2.gz HOKWHQDBBSJQJG-FQEVSTJZSA-N 1 2 352.482 2.614 20 30 FFEDLO Cc1cc(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)nn1-c1cccc(C#N)c1 ZINC000561116075 516388258 /nfs/dbraw/zinc/38/82/58/516388258.db2.gz OZIYNRFCAIGQEA-SFHVURJKSA-N 1 2 360.421 2.667 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)C[C@@H](c2ccsc2)O1 ZINC000528401868 516410456 /nfs/dbraw/zinc/41/04/56/516410456.db2.gz DGORJHPRDHDIRO-BJZITVGISA-N 1 2 358.463 2.821 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)C[C@@H](c2ccsc2)O1 ZINC000528401868 516410468 /nfs/dbraw/zinc/41/04/68/516410468.db2.gz DGORJHPRDHDIRO-BJZITVGISA-N 1 2 358.463 2.821 20 30 FFEDLO N#CCC1CC[NH+](CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000543807769 516437056 /nfs/dbraw/zinc/43/70/56/516437056.db2.gz OBMVESAGPKJFGW-UHFFFAOYSA-N 1 2 371.300 2.848 20 30 FFEDLO N#CCC[N@@H+](CCCOc1ccc(Cl)cc1)CCN1CCOCC1 ZINC000531381659 516440940 /nfs/dbraw/zinc/44/09/40/516440940.db2.gz KLJSXEGSYYUANK-UHFFFAOYSA-N 1 2 351.878 2.657 20 30 FFEDLO N#CCC[N@H+](CCCOc1ccc(Cl)cc1)CCN1CCOCC1 ZINC000531381659 516440947 /nfs/dbraw/zinc/44/09/47/516440947.db2.gz KLJSXEGSYYUANK-UHFFFAOYSA-N 1 2 351.878 2.657 20 30 FFEDLO N#CCCN(CCCOc1ccc(Cl)cc1)CC[NH+]1CCOCC1 ZINC000531381659 516440956 /nfs/dbraw/zinc/44/09/56/516440956.db2.gz KLJSXEGSYYUANK-UHFFFAOYSA-N 1 2 351.878 2.657 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000523442105 516473497 /nfs/dbraw/zinc/47/34/97/516473497.db2.gz LXYGSCFZEQIWCO-HXUWFJFHSA-N 1 2 356.445 2.781 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000523442105 516473506 /nfs/dbraw/zinc/47/35/06/516473506.db2.gz LXYGSCFZEQIWCO-HXUWFJFHSA-N 1 2 356.445 2.781 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(Oc3cccc(F)c3)CC2)cc1 ZINC000528575701 516543516 /nfs/dbraw/zinc/54/35/16/516543516.db2.gz YJUBNQPSEWJQLA-LJQANCHMSA-N 1 2 353.397 2.767 20 30 FFEDLO C[NH+](C)[C@H](CNC(=O)NCCc1cccc(C#N)c1)c1c(F)cccc1F ZINC000554644675 516564927 /nfs/dbraw/zinc/56/49/27/516564927.db2.gz XFCBHAGUTXAAQG-GOSISDBHSA-N 1 2 372.419 2.981 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000524598951 516765007 /nfs/dbraw/zinc/76/50/07/516765007.db2.gz TYCQDPYBKGQYSF-JSGCOSHPSA-N 1 2 355.360 2.929 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000524598951 516765009 /nfs/dbraw/zinc/76/50/09/516765009.db2.gz TYCQDPYBKGQYSF-JSGCOSHPSA-N 1 2 355.360 2.929 20 30 FFEDLO CCc1cccc(OCC[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000513978591 516820868 /nfs/dbraw/zinc/82/08/68/516820868.db2.gz PAHUDIKEDNSRLB-VGSWGCGISA-N 1 2 361.445 2.973 20 30 FFEDLO CCc1cccc(OCC[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000513978591 516820876 /nfs/dbraw/zinc/82/08/76/516820876.db2.gz PAHUDIKEDNSRLB-VGSWGCGISA-N 1 2 361.445 2.973 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000551750375 516854849 /nfs/dbraw/zinc/85/48/49/516854849.db2.gz RBRCVLVYZMBZBJ-UHFFFAOYSA-N 1 2 350.260 2.569 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2ccc(Br)cc2C1 ZINC000551750375 516854857 /nfs/dbraw/zinc/85/48/57/516854857.db2.gz RBRCVLVYZMBZBJ-UHFFFAOYSA-N 1 2 350.260 2.569 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c(F)c1 ZINC000548422473 516974472 /nfs/dbraw/zinc/97/44/72/516974472.db2.gz DXJUMHOLCMKXSS-UHFFFAOYSA-N 1 2 371.387 2.945 20 30 FFEDLO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000537101416 517037557 /nfs/dbraw/zinc/03/75/57/517037557.db2.gz MAFZQGKYXJXNBD-ZDUSSCGKSA-N 1 2 361.442 2.798 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000519648706 517103890 /nfs/dbraw/zinc/10/38/90/517103890.db2.gz KBJZRUGQOSSIML-FQEVSTJZSA-N 1 2 350.422 2.513 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000541682469 517170850 /nfs/dbraw/zinc/17/08/50/517170850.db2.gz RZSYNFNYTXWWFK-BXTJHSDWSA-N 1 2 369.469 2.754 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000532923392 517204166 /nfs/dbraw/zinc/20/41/66/517204166.db2.gz KJOLQGMWSNVDKP-IBGZPJMESA-N 1 2 372.440 2.864 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000532923392 517204174 /nfs/dbraw/zinc/20/41/74/517204174.db2.gz KJOLQGMWSNVDKP-IBGZPJMESA-N 1 2 372.440 2.864 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C/C=C/c1ccc(F)cc1F ZINC000541773494 517209007 /nfs/dbraw/zinc/20/90/07/517209007.db2.gz ZJBMZTHKAQOTSF-HSWBROFVSA-N 1 2 355.392 2.850 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C/C=C/c1ccc(F)cc1F ZINC000541773494 517209019 /nfs/dbraw/zinc/20/90/19/517209019.db2.gz ZJBMZTHKAQOTSF-HSWBROFVSA-N 1 2 355.392 2.850 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C#N ZINC000541894602 517280794 /nfs/dbraw/zinc/28/07/94/517280794.db2.gz PTMAKNKBFFLALT-CHWSQXEVSA-N 1 2 374.510 2.764 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C#N ZINC000541894602 517280805 /nfs/dbraw/zinc/28/08/05/517280805.db2.gz PTMAKNKBFFLALT-CHWSQXEVSA-N 1 2 374.510 2.764 20 30 FFEDLO N#CCC1CCN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC1 ZINC000541921251 517293180 /nfs/dbraw/zinc/29/31/80/517293180.db2.gz ZTPNVRISHATXRP-UHFFFAOYSA-N 1 2 351.454 2.961 20 30 FFEDLO C=CC[N@@H+](Cc1nc(CCC)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520195892 517297789 /nfs/dbraw/zinc/29/77/89/517297789.db2.gz PLHHWLUDNRTBFN-CQSZACIVSA-N 1 2 353.430 2.747 20 30 FFEDLO C=CC[N@H+](Cc1nc(CCC)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520195892 517297794 /nfs/dbraw/zinc/29/77/94/517297794.db2.gz PLHHWLUDNRTBFN-CQSZACIVSA-N 1 2 353.430 2.747 20 30 FFEDLO N#CCN1CCC[C@H](CNC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000548944196 517318106 /nfs/dbraw/zinc/31/81/06/517318106.db2.gz JNVMMSZFBADDQQ-MRXNPFEDSA-N 1 2 350.422 2.839 20 30 FFEDLO N#CCN1CCC[C@@H](CNC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000548944195 517318847 /nfs/dbraw/zinc/31/88/47/517318847.db2.gz JNVMMSZFBADDQQ-INIZCTEOSA-N 1 2 350.422 2.839 20 30 FFEDLO COCc1ccc(NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000529816817 517362055 /nfs/dbraw/zinc/36/20/55/517362055.db2.gz SHMOCXCIOKMPJQ-ZRGWGRIASA-N 1 2 359.470 2.777 20 30 FFEDLO COCc1ccc(NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000529816817 517362063 /nfs/dbraw/zinc/36/20/63/517362063.db2.gz SHMOCXCIOKMPJQ-ZRGWGRIASA-N 1 2 359.470 2.777 20 30 FFEDLO C=CCC(C)(C)c1noc(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000556363031 517391928 /nfs/dbraw/zinc/39/19/28/517391928.db2.gz RNHCZBNJGZVSPB-UHFFFAOYSA-N 1 2 369.469 2.600 20 30 FFEDLO N#Cc1cccc(C[NH+]2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1 ZINC000533357346 517426504 /nfs/dbraw/zinc/42/65/04/517426504.db2.gz OZCPXZUXDYZZKZ-UHFFFAOYSA-N 1 2 359.433 2.926 20 30 FFEDLO Cc1ncccc1OC[C@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000520551066 517434283 /nfs/dbraw/zinc/43/42/83/517434283.db2.gz ANKXNQKVGQLQCB-OAHLLOKOSA-N 1 2 356.451 2.805 20 30 FFEDLO Cc1ncccc1OC[C@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000520551066 517434290 /nfs/dbraw/zinc/43/42/90/517434290.db2.gz ANKXNQKVGQLQCB-OAHLLOKOSA-N 1 2 356.451 2.805 20 30 FFEDLO C[C@@H]1CN(c2ccc(NCc3cnc4ccc(C#N)cn34)c[nH+]2)C[C@@H](C)O1 ZINC000526991052 517435603 /nfs/dbraw/zinc/43/56/03/517435603.db2.gz BEHSXZHVRRABMR-HUUCEWRRSA-N 1 2 362.437 2.827 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCCCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542239568 517456038 /nfs/dbraw/zinc/45/60/38/517456038.db2.gz AZOHGXIKBUTZKH-GDBMZVCRSA-N 1 2 354.376 2.842 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)NCCCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542239568 517456047 /nfs/dbraw/zinc/45/60/47/517456047.db2.gz AZOHGXIKBUTZKH-GDBMZVCRSA-N 1 2 354.376 2.842 20 30 FFEDLO N#Cc1ccccc1-c1ccccc1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000562933197 517512459 /nfs/dbraw/zinc/51/24/59/517512459.db2.gz OHPLTSIRLVGOSK-HDICACEKSA-N 1 2 361.445 2.818 20 30 FFEDLO N#Cc1ccccc1-c1ccccc1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000562933197 517512468 /nfs/dbraw/zinc/51/24/68/517512468.db2.gz OHPLTSIRLVGOSK-HDICACEKSA-N 1 2 361.445 2.818 20 30 FFEDLO N#CC1(NC(=O)C[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)CCC1 ZINC000527128167 517517795 /nfs/dbraw/zinc/51/77/95/517517795.db2.gz ISAANNFPORETFX-SFHVURJKSA-N 1 2 354.841 2.976 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1C#N ZINC000559989659 517520725 /nfs/dbraw/zinc/52/07/25/517520725.db2.gz AXDPBDWNLHFOSS-JKSUJKDBSA-N 1 2 368.462 2.556 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1C#N ZINC000559989659 517520730 /nfs/dbraw/zinc/52/07/30/517520730.db2.gz AXDPBDWNLHFOSS-JKSUJKDBSA-N 1 2 368.462 2.556 20 30 FFEDLO Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)o2)cc1 ZINC000515958760 517521003 /nfs/dbraw/zinc/52/10/03/517521003.db2.gz HCFORSITDKULJO-KRWDZBQOSA-N 1 2 361.405 2.965 20 30 FFEDLO Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)o2)cc1 ZINC000515958760 517521019 /nfs/dbraw/zinc/52/10/19/517521019.db2.gz HCFORSITDKULJO-KRWDZBQOSA-N 1 2 361.405 2.965 20 30 FFEDLO C=CC[N@H+](CC(=O)NCCN1CCc2ccccc21)Cc1cccc(C#N)c1 ZINC000521091178 517610680 /nfs/dbraw/zinc/61/06/80/517610680.db2.gz IMYDSKFOUGSEIR-UHFFFAOYSA-N 1 2 374.488 2.725 20 30 FFEDLO C=CC[N@@H+](CC(=O)NCCN1CCc2ccccc21)Cc1cccc(C#N)c1 ZINC000521091178 517610687 /nfs/dbraw/zinc/61/06/87/517610687.db2.gz IMYDSKFOUGSEIR-UHFFFAOYSA-N 1 2 374.488 2.725 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)cc1 ZINC000542632829 517662332 /nfs/dbraw/zinc/66/23/32/517662332.db2.gz XTBOHTCKKPTUBV-OAQYLSRUSA-N 1 2 363.461 2.508 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCO[C@H](CCc3ccccc3)C2)cc1 ZINC000542632829 517662339 /nfs/dbraw/zinc/66/23/39/517662339.db2.gz XTBOHTCKKPTUBV-OAQYLSRUSA-N 1 2 363.461 2.508 20 30 FFEDLO CC(C)c1ccccc1NC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546918036 517919207 /nfs/dbraw/zinc/91/92/07/517919207.db2.gz QBAIQFZKQRBJCT-UHFFFAOYSA-N 1 2 363.465 2.837 20 30 FFEDLO CCC[N@@H+](Cc1ccc(Br)cc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000553860595 517936618 /nfs/dbraw/zinc/93/66/18/517936618.db2.gz JHCZLEZRBNPQJW-OAHLLOKOSA-N 1 2 371.300 2.720 20 30 FFEDLO CCC[N@H+](Cc1ccc(Br)cc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000553860595 517936609 /nfs/dbraw/zinc/93/66/09/517936609.db2.gz JHCZLEZRBNPQJW-OAHLLOKOSA-N 1 2 371.300 2.720 20 30 FFEDLO C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)c1 ZINC000534683931 517998746 /nfs/dbraw/zinc/99/87/46/517998746.db2.gz QNSPTXUCZHYYHB-UHFFFAOYSA-N 1 2 370.434 2.588 20 30 FFEDLO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c2[nH+]ccn21 ZINC000563680958 518064959 /nfs/dbraw/zinc/06/49/59/518064959.db2.gz HVHDJRBYZXLAFS-CABZTGNLSA-N 1 2 370.356 2.758 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000566831859 518221200 /nfs/dbraw/zinc/22/12/00/518221200.db2.gz DUBMJLNKDQDARG-GOSISDBHSA-N 1 2 362.380 2.512 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2[C@H]3C[C@H](C(=O)OC)O[C@H]3CC[C@H]2C)c1C ZINC000572544249 518240889 /nfs/dbraw/zinc/24/08/89/518240889.db2.gz ONQRRWGHPQTQRG-ISHJAKKSSA-N 1 2 374.481 2.657 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2[C@H]3C[C@H](C(=O)OC)O[C@H]3CC[C@H]2C)c1C ZINC000572544249 518240899 /nfs/dbraw/zinc/24/08/99/518240899.db2.gz ONQRRWGHPQTQRG-ISHJAKKSSA-N 1 2 374.481 2.657 20 30 FFEDLO CC(C)c1nc(N(C)CCOCc2ccc(C#N)cc2)nc(N(C)C)[nH+]1 ZINC000581450297 518291025 /nfs/dbraw/zinc/29/10/25/518291025.db2.gz AWRSHFFGXOAUFZ-UHFFFAOYSA-N 1 2 354.458 2.586 20 30 FFEDLO CC(C)c1nc(N(C)C)nc(N(C)CCOCc2ccc(C#N)cc2)[nH+]1 ZINC000581450297 518291027 /nfs/dbraw/zinc/29/10/27/518291027.db2.gz AWRSHFFGXOAUFZ-UHFFFAOYSA-N 1 2 354.458 2.586 20 30 FFEDLO Cn1cc[nH+]c1[C@H](CC(=O)N(CCC#N)Cc1cccnc1)C(F)(F)F ZINC000584478185 518360145 /nfs/dbraw/zinc/36/01/45/518360145.db2.gz KGPWYMVYVURWMZ-AWEZNQCLSA-N 1 2 365.359 2.794 20 30 FFEDLO Cc1nc(NCc2cccc(C(=O)NCC3CCC(C#N)CC3)c2)cc[nH+]1 ZINC000567183610 518394552 /nfs/dbraw/zinc/39/45/52/518394552.db2.gz TUCWXFMRSJRKQL-UHFFFAOYSA-N 1 2 363.465 2.879 20 30 FFEDLO C[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1nc(C2CCCCC2)no1 ZINC000584781423 518474900 /nfs/dbraw/zinc/47/49/00/518474900.db2.gz NRWUAQMWPGYWGX-GFCCVEGCSA-N 1 2 351.414 2.882 20 30 FFEDLO Cn1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3C(F)(F)F)CC2)cn1 ZINC000564505396 518477931 /nfs/dbraw/zinc/47/79/31/518477931.db2.gz NGNUUNQTMDHIPH-UHFFFAOYSA-N 1 2 363.387 2.628 20 30 FFEDLO CC[C@H](CO)[NH+]1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000573157284 518531348 /nfs/dbraw/zinc/53/13/48/518531348.db2.gz ZKQGRLTUPPJQFR-CYBMUJFWSA-N 1 2 372.694 2.867 20 30 FFEDLO C=CCn1c(C2CCCC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000564669672 518555930 /nfs/dbraw/zinc/55/59/30/518555930.db2.gz FWGUVYXICGMRBS-UHFFFAOYSA-N 1 2 353.474 2.547 20 30 FFEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000585799771 518606295 /nfs/dbraw/zinc/60/62/95/518606295.db2.gz NIDXHEUBPQXZPY-RCCFBDPRSA-N 1 2 368.437 2.624 20 30 FFEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000585799771 518606298 /nfs/dbraw/zinc/60/62/98/518606298.db2.gz NIDXHEUBPQXZPY-RCCFBDPRSA-N 1 2 368.437 2.624 20 30 FFEDLO N#Cc1csc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)n1 ZINC000582153973 518612316 /nfs/dbraw/zinc/61/23/16/518612316.db2.gz VNRGWMKQNOTTAD-FZKQIMNGSA-N 1 2 355.467 2.904 20 30 FFEDLO N#Cc1csc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)n1 ZINC000582153973 518612321 /nfs/dbraw/zinc/61/23/21/518612321.db2.gz VNRGWMKQNOTTAD-FZKQIMNGSA-N 1 2 355.467 2.904 20 30 FFEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)Cc3c(F)cccc3C#N)CC2)oc1C ZINC000586774979 518638663 /nfs/dbraw/zinc/63/86/63/518638663.db2.gz UIHLLVBSXMVDRW-UHFFFAOYSA-N 1 2 370.428 2.579 20 30 FFEDLO Cc1nc(C[N@H+]2CCCN(C(=O)Cc3c(F)cccc3C#N)CC2)oc1C ZINC000586774979 518638670 /nfs/dbraw/zinc/63/86/70/518638670.db2.gz UIHLLVBSXMVDRW-UHFFFAOYSA-N 1 2 370.428 2.579 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000582299137 518687493 /nfs/dbraw/zinc/68/74/93/518687493.db2.gz VRPPMPVXYVNEBZ-VQIMIIECSA-N 1 2 359.495 2.530 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000582299137 518687498 /nfs/dbraw/zinc/68/74/98/518687498.db2.gz VRPPMPVXYVNEBZ-VQIMIIECSA-N 1 2 359.495 2.530 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)c(F)c1 ZINC000588024440 518704016 /nfs/dbraw/zinc/70/40/16/518704016.db2.gz CHSNJMHBJCWNCY-HNNXBMFYSA-N 1 2 368.412 2.526 20 30 FFEDLO CCN1CCN(c2cc(C(F)(F)F)cnc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000579685631 518801892 /nfs/dbraw/zinc/80/18/92/518801892.db2.gz UFJMFFKBZHWWIU-CQSZACIVSA-N 1 2 350.348 2.578 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000567995095 518821345 /nfs/dbraw/zinc/82/13/45/518821345.db2.gz AOPATZQVTUUEMZ-INIZCTEOSA-N 1 2 366.252 2.753 20 30 FFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000565174945 518823464 /nfs/dbraw/zinc/82/34/64/518823464.db2.gz YLXPWEUTABFJLI-NSHDSACASA-N 1 2 356.348 2.884 20 30 FFEDLO CN(CCOCc1ccc(C#N)cc1)c1cc(N2CCCCC2)nc[nH+]1 ZINC000568067712 518856574 /nfs/dbraw/zinc/85/65/74/518856574.db2.gz GOELONYJNVNLIS-UHFFFAOYSA-N 1 2 351.454 2.992 20 30 FFEDLO CN(CCOCc1ccc(C#N)cc1)c1cc(N2CCCCC2)[nH+]cn1 ZINC000568067712 518856581 /nfs/dbraw/zinc/85/65/81/518856581.db2.gz GOELONYJNVNLIS-UHFFFAOYSA-N 1 2 351.454 2.992 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cnnn2-c2ccccc2)CC1 ZINC000588954884 518879254 /nfs/dbraw/zinc/87/92/54/518879254.db2.gz WWSNKJUHNZWGKF-UHFFFAOYSA-N 1 2 362.412 2.600 20 30 FFEDLO CC[C@@H]1c2ccccc2CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588960199 518881205 /nfs/dbraw/zinc/88/12/05/518881205.db2.gz FLTNFUCNUNFBKE-GOSISDBHSA-N 1 2 355.463 2.736 20 30 FFEDLO CC[C@@H]1c2ccccc2CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588960199 518881207 /nfs/dbraw/zinc/88/12/07/518881207.db2.gz FLTNFUCNUNFBKE-GOSISDBHSA-N 1 2 355.463 2.736 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](c3ccncc3)C2)c1 ZINC000565403640 518936450 /nfs/dbraw/zinc/93/64/50/518936450.db2.gz QNYNOBWTBTYEEW-SFHVURJKSA-N 1 2 355.463 2.607 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H](c3ccncc3)C2)c1 ZINC000565403640 518936456 /nfs/dbraw/zinc/93/64/56/518936456.db2.gz QNYNOBWTBTYEEW-SFHVURJKSA-N 1 2 355.463 2.607 20 30 FFEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000582828751 518940935 /nfs/dbraw/zinc/94/09/35/518940935.db2.gz XHCUSFQUXLMQGL-PBHICJAKSA-N 1 2 353.426 2.619 20 30 FFEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cc(O)cc(C#N)c3)CC2)c1 ZINC000589178057 518942552 /nfs/dbraw/zinc/94/25/52/518942552.db2.gz SIAWSIANKWZUGB-OAHLLOKOSA-N 1 2 365.433 2.791 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccccc1C(=O)Nc1ccccc1 ZINC000568305050 518970478 /nfs/dbraw/zinc/97/04/78/518970478.db2.gz LEBVIMRGOOACTG-QGZVFWFLSA-N 1 2 353.422 2.524 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1C(=O)Nc1ccccc1 ZINC000568305050 518970484 /nfs/dbraw/zinc/97/04/84/518970484.db2.gz LEBVIMRGOOACTG-QGZVFWFLSA-N 1 2 353.422 2.524 20 30 FFEDLO N#Cc1ccc(N2CCC([NH2+][C@H](c3ncn[nH]3)C3CCCCC3)CC2)nc1 ZINC000589945695 519110517 /nfs/dbraw/zinc/11/05/17/519110517.db2.gz PZFTXARZBDFTHD-IBGZPJMESA-N 1 2 365.485 2.951 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1ccccc1OCc1ccccc1 ZINC000568638405 519143232 /nfs/dbraw/zinc/14/32/32/519143232.db2.gz XKGNUNZHQFZMEI-NRFANRHFSA-N 1 2 367.449 2.604 20 30 FFEDLO N#CCCN(C(=O)CCC(=O)Nc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000590342928 519204386 /nfs/dbraw/zinc/20/43/86/519204386.db2.gz PLBBSVVEKXUTMP-UHFFFAOYSA-N 1 2 361.405 3.000 20 30 FFEDLO Cc1c(NCc2c[nH+]c3ccc(C#N)cn23)cccc1N1C(=O)N[C@H](C)C1=O ZINC000574552235 519212929 /nfs/dbraw/zinc/21/29/29/519212929.db2.gz YIEMLKRHQRYCKH-CYBMUJFWSA-N 1 2 374.404 2.571 20 30 FFEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)CCCCC1 ZINC000577743869 519234726 /nfs/dbraw/zinc/23/47/26/519234726.db2.gz OSFQFGWPRLUPOJ-SJLPKXTDSA-N 1 2 361.873 2.790 20 30 FFEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)CCCCC1 ZINC000577743869 519234731 /nfs/dbraw/zinc/23/47/31/519234731.db2.gz OSFQFGWPRLUPOJ-SJLPKXTDSA-N 1 2 361.873 2.790 20 30 FFEDLO N#Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590629386 519294287 /nfs/dbraw/zinc/29/42/87/519294287.db2.gz XIFZZCLSNRMPJU-CQSZACIVSA-N 1 2 359.227 2.995 20 30 FFEDLO Cn1cc[nH+]c1[C@H](CC(=O)N(CCC#N)Cc1ccco1)C(F)(F)F ZINC000571893206 519334550 /nfs/dbraw/zinc/33/45/50/519334550.db2.gz OVNWKELIBLPBPN-ZDUSSCGKSA-N 1 2 354.332 2.992 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1Br ZINC000590841888 519396586 /nfs/dbraw/zinc/39/65/86/519396586.db2.gz DHKCVOQSCHNIST-FZMZJTMJSA-N 1 2 359.227 2.589 20 30 FFEDLO C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000569249760 519454825 /nfs/dbraw/zinc/45/48/25/519454825.db2.gz KSIJZXMSRKGFBP-UHFFFAOYSA-N 1 2 350.378 2.741 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2c[nH+]cn2C)cc1 ZINC000578371355 519557913 /nfs/dbraw/zinc/55/79/13/519557913.db2.gz VLBLEGANHHJXHT-UHFFFAOYSA-N 1 2 353.426 2.556 20 30 FFEDLO N#Cc1csc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)n1 ZINC000575224942 519562265 /nfs/dbraw/zinc/56/22/65/519562265.db2.gz XWGZGLVKCHKPKY-UHFFFAOYSA-N 1 2 352.423 2.839 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2CN(C(=O)C3(CC=C)CCC3)CC[N@H+]2C)CCC1 ZINC000584058932 519570194 /nfs/dbraw/zinc/57/01/94/519570194.db2.gz UJDFENQBXJJFPO-SFHVURJKSA-N 1 2 373.541 2.738 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2CN(C(=O)C3(CC=C)CCC3)CC[N@@H+]2C)CCC1 ZINC000584058932 519570199 /nfs/dbraw/zinc/57/01/99/519570199.db2.gz UJDFENQBXJJFPO-SFHVURJKSA-N 1 2 373.541 2.738 20 30 FFEDLO COc1cc(I)c(Cl)cc1C[NH2+]CCC#N ZINC000584108506 519595080 /nfs/dbraw/zinc/59/50/80/519595080.db2.gz HLKRGUWTUAWCIL-UHFFFAOYSA-N 1 2 350.587 2.956 20 30 FFEDLO C[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)C[C@H](C)N1CC#N ZINC000602855258 519926051 /nfs/dbraw/zinc/92/60/51/519926051.db2.gz GZVXYSRGQMXIRP-RVKKMQEKSA-N 1 2 360.889 2.754 20 30 FFEDLO C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)C[C@H](C)N1CC#N ZINC000602855258 519926056 /nfs/dbraw/zinc/92/60/56/519926056.db2.gz GZVXYSRGQMXIRP-RVKKMQEKSA-N 1 2 360.889 2.754 20 30 FFEDLO C[C@@H]1C[NH+]([C@H]2CCCN(c3ccccc3Cl)C2=O)C[C@@H](C)N1CC#N ZINC000602855256 519926710 /nfs/dbraw/zinc/92/67/10/519926710.db2.gz GZVXYSRGQMXIRP-RKVPGOIHSA-N 1 2 360.889 2.754 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602857750 519928926 /nfs/dbraw/zinc/92/89/26/519928926.db2.gz UPTIXSNMOQCCMV-MGPQQGTHSA-N 1 2 366.412 2.533 20 30 FFEDLO Cc1cc(F)ccc1N1CCC[C@H]([NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)C1=O ZINC000602859130 519931247 /nfs/dbraw/zinc/93/12/47/519931247.db2.gz WNCUTILXFGWXQC-BXWFABGCSA-N 1 2 358.461 2.548 20 30 FFEDLO COc1ccc(-c2noc([C@H](C)[NH+]3C[C@H](C)N(CC#N)[C@@H](C)C3)n2)cc1 ZINC000602866195 519935967 /nfs/dbraw/zinc/93/59/67/519935967.db2.gz VCAUDMITRIFYOI-KKUMJFAQSA-N 1 2 355.442 2.724 20 30 FFEDLO COc1ccc(C2=NN(C(=O)C[NH2+][C@@H](C)CC#N)[C@@H](c3ccco3)C2)cc1 ZINC000602865115 519936549 /nfs/dbraw/zinc/93/65/49/519936549.db2.gz SZQMECWMLWSARJ-KBXCAEBGSA-N 1 2 366.421 2.858 20 30 FFEDLO C[C@H]1C[NH+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C[C@H](C)N1CC#N ZINC000602866638 519937347 /nfs/dbraw/zinc/93/73/47/519937347.db2.gz WQQDFPSLOWAISH-QWRGUYRKSA-N 1 2 365.359 2.572 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C[C@H](C)N1CC#N ZINC000602866636 519938731 /nfs/dbraw/zinc/93/87/31/519938731.db2.gz WQQDFPSLOWAISH-PHIMTYICSA-N 1 2 365.359 2.572 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C[C@H](C)N1CC#N ZINC000602866636 519938737 /nfs/dbraw/zinc/93/87/37/519938737.db2.gz WQQDFPSLOWAISH-PHIMTYICSA-N 1 2 365.359 2.572 20 30 FFEDLO N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000594446762 519970812 /nfs/dbraw/zinc/97/08/12/519970812.db2.gz SASIOTLNVTWRPB-IRXDYDNUSA-N 1 2 372.517 2.970 20 30 FFEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(Br)cc1F ZINC000602924596 519974922 /nfs/dbraw/zinc/97/49/22/519974922.db2.gz GHLHOBDINKZXAU-UHFFFAOYSA-N 1 2 354.223 2.582 20 30 FFEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(Br)cc1F ZINC000602924596 519974934 /nfs/dbraw/zinc/97/49/34/519974934.db2.gz GHLHOBDINKZXAU-UHFFFAOYSA-N 1 2 354.223 2.582 20 30 FFEDLO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCC[C@@H]1C#N ZINC000602980312 520004467 /nfs/dbraw/zinc/00/44/67/520004467.db2.gz OLWZWVVGIRDHIL-WBVHZDCISA-N 1 2 363.383 2.797 20 30 FFEDLO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCC[C@@H]1C#N ZINC000602980312 520004475 /nfs/dbraw/zinc/00/44/75/520004475.db2.gz OLWZWVVGIRDHIL-WBVHZDCISA-N 1 2 363.383 2.797 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1C#N ZINC000602987316 520007567 /nfs/dbraw/zinc/00/75/67/520007567.db2.gz BSXVNOIVVGQYCW-XJKSGUPXSA-N 1 2 364.371 2.655 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1C#N ZINC000602987316 520007572 /nfs/dbraw/zinc/00/75/72/520007572.db2.gz BSXVNOIVVGQYCW-XJKSGUPXSA-N 1 2 364.371 2.655 20 30 FFEDLO Cc1cc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)c(C#N)cn1 ZINC000591819801 520051191 /nfs/dbraw/zinc/05/11/91/520051191.db2.gz FMFWPQFHZNRSKA-LJQANCHMSA-N 1 2 356.857 2.771 20 30 FFEDLO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000594660837 520072259 /nfs/dbraw/zinc/07/22/59/520072259.db2.gz RQJGNOVIEQLLJF-SWLSCSKDSA-N 1 2 365.355 2.963 20 30 FFEDLO N#CC[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000594660837 520072269 /nfs/dbraw/zinc/07/22/69/520072269.db2.gz RQJGNOVIEQLLJF-SWLSCSKDSA-N 1 2 365.355 2.963 20 30 FFEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2nccnc2C#N)CC1 ZINC000608830404 520139474 /nfs/dbraw/zinc/13/94/74/520139474.db2.gz UJOHQYZWDBPCBK-CYBMUJFWSA-N 1 2 350.451 2.841 20 30 FFEDLO Cn1c2ccc(CNC(=O)CC3(C#N)CCOCC3)cc2[nH+]c1C1CC1 ZINC000597632750 520146786 /nfs/dbraw/zinc/14/67/86/520146786.db2.gz QYZWOUBQBOKYNJ-UHFFFAOYSA-N 1 2 352.438 2.777 20 30 FFEDLO N#Cc1cnccc1C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000592061588 520160134 /nfs/dbraw/zinc/16/01/34/520160134.db2.gz OFRCJRSZDMXFSV-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO N#Cc1cnccc1C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000592061588 520160141 /nfs/dbraw/zinc/16/01/41/520160141.db2.gz OFRCJRSZDMXFSV-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000609178375 520219587 /nfs/dbraw/zinc/21/95/87/520219587.db2.gz UZJOFSGEEJLZGR-MRXNPFEDSA-N 1 2 365.433 2.801 20 30 FFEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000609178375 520219594 /nfs/dbraw/zinc/21/95/94/520219594.db2.gz UZJOFSGEEJLZGR-MRXNPFEDSA-N 1 2 365.433 2.801 20 30 FFEDLO COCc1n[nH]c(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)n1 ZINC000594970370 520233842 /nfs/dbraw/zinc/23/38/42/520233842.db2.gz ZRPCYOPNUZYKQO-UHFFFAOYSA-N 1 2 363.421 2.692 20 30 FFEDLO COCCOCc1cc(C#N)ccc1NC[C@@H]1CCC[N@@H+]1CC(F)F ZINC000603414058 520255596 /nfs/dbraw/zinc/25/55/96/520255596.db2.gz SXDCCAVEPVVROC-INIZCTEOSA-N 1 2 353.413 2.863 20 30 FFEDLO COCCOCc1cc(C#N)ccc1NC[C@@H]1CCC[N@H+]1CC(F)F ZINC000603414058 520255603 /nfs/dbraw/zinc/25/56/03/520255603.db2.gz SXDCCAVEPVVROC-INIZCTEOSA-N 1 2 353.413 2.863 20 30 FFEDLO Cn1c2ccc(NC(=O)C(=O)N3CCC[C@@H](CC#N)C3)cc2[nH+]c1C1CC1 ZINC000595086393 520288186 /nfs/dbraw/zinc/28/81/86/520288186.db2.gz IYQAOROYJZLFNN-ZDUSSCGKSA-N 1 2 365.437 2.541 20 30 FFEDLO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609538679 520348435 /nfs/dbraw/zinc/34/84/35/520348435.db2.gz VLZUSDRDAAQVIB-ICSRJNTNSA-N 1 2 356.514 2.508 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)NC[C@H](c2ccccc2)C(C)C)CC1 ZINC000609539357 520349438 /nfs/dbraw/zinc/34/94/38/520349438.db2.gz YLBXKKBCLQKFIP-LEWJYISDSA-N 1 2 370.541 2.708 20 30 FFEDLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CCN([C@H](C#N)C(C)C)CC2)cc1 ZINC000609538989 520349774 /nfs/dbraw/zinc/34/97/74/520349774.db2.gz POBVAHMLUWEGBN-BBTUJRGHSA-N 1 2 370.541 2.980 20 30 FFEDLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CCN([C@H](C#N)C(C)C)CC2)cc1 ZINC000609538991 520350331 /nfs/dbraw/zinc/35/03/31/520350331.db2.gz POBVAHMLUWEGBN-WAOWUJCRSA-N 1 2 370.541 2.980 20 30 FFEDLO Cc1nc(SCC(=O)N2CC(Oc3cc[nH+]cc3)C2)c(C#N)c(C)c1C ZINC000609569328 520360118 /nfs/dbraw/zinc/36/01/18/520360118.db2.gz WAMNEYXPYOFSFI-UHFFFAOYSA-N 1 2 368.462 2.655 20 30 FFEDLO C[C@@H]1C[N@H+](CCNC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@H](C)CO1 ZINC000597999158 520367817 /nfs/dbraw/zinc/36/78/17/520367817.db2.gz QUGLIEZRMGLFBA-GHMZBOCLSA-N 1 2 356.253 2.704 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@H](C)CO1 ZINC000597999158 520367822 /nfs/dbraw/zinc/36/78/22/520367822.db2.gz QUGLIEZRMGLFBA-GHMZBOCLSA-N 1 2 356.253 2.704 20 30 FFEDLO N#Cc1ccccc1OCC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000600679212 520393177 /nfs/dbraw/zinc/39/31/77/520393177.db2.gz SRHZOLAIZULJDZ-UHFFFAOYSA-N 1 2 374.444 2.763 20 30 FFEDLO CCN(CC)c1ccc(CNC(=O)[C@H](C)Oc2ccccc2C#N)c[nH+]1 ZINC000603903608 520398945 /nfs/dbraw/zinc/39/89/45/520398945.db2.gz FKNLGLHKFHAJLE-HNNXBMFYSA-N 1 2 352.438 2.883 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+]([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000609671682 520401573 /nfs/dbraw/zinc/40/15/73/520401573.db2.gz CSMTVKHNJCPISQ-NRFANRHFSA-N 1 2 360.461 2.876 20 30 FFEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN([C@@H](C#N)c3ccccc3)CC2)n1 ZINC000595336684 520414662 /nfs/dbraw/zinc/41/46/62/520414662.db2.gz PZDKKSYPAHPWEW-WBVHZDCISA-N 1 2 355.442 2.550 20 30 FFEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN([C@@H](C#N)c3ccccc3)CC2)n1 ZINC000595336684 520414669 /nfs/dbraw/zinc/41/46/69/520414669.db2.gz PZDKKSYPAHPWEW-WBVHZDCISA-N 1 2 355.442 2.550 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000609893498 520471063 /nfs/dbraw/zinc/47/10/63/520471063.db2.gz UJRTXNITRFFGGP-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO N#CC1(CNC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CCCCC1 ZINC000595438925 520471938 /nfs/dbraw/zinc/47/19/38/520471938.db2.gz KHJCIOVTWVHIBI-LJQANCHMSA-N 1 2 370.497 2.833 20 30 FFEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000609988171 520497785 /nfs/dbraw/zinc/49/77/85/520497785.db2.gz AUJYEABHXMWJJS-MRXNPFEDSA-N 1 2 364.449 2.752 20 30 FFEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000609988171 520497793 /nfs/dbraw/zinc/49/77/93/520497793.db2.gz AUJYEABHXMWJJS-MRXNPFEDSA-N 1 2 364.449 2.752 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(C(=O)COc3ccccc3C#N)CC2)s1 ZINC000609995124 520500215 /nfs/dbraw/zinc/50/02/15/520500215.db2.gz DRHCDFAJKBHFRW-UHFFFAOYSA-N 1 2 369.490 2.905 20 30 FFEDLO N#Cc1cccc(Cn2cc(C[NH+]3CCN(c4ccccc4)CC3)nn2)c1 ZINC000600972910 520565840 /nfs/dbraw/zinc/56/58/40/520565840.db2.gz NYIRUVPSTOHQKY-UHFFFAOYSA-N 1 2 358.449 2.520 20 30 FFEDLO CCN(C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1)[C@@H](C)C#N ZINC000598358707 520572768 /nfs/dbraw/zinc/57/27/68/520572768.db2.gz QLYFODCBWMXFQW-AWEZNQCLSA-N 1 2 352.438 2.917 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)Cc2c[nH+]c[nH]2)c1C#N ZINC000595594349 520578821 /nfs/dbraw/zinc/57/88/21/520578821.db2.gz KVUOEOQZHRPHGX-UHFFFAOYSA-N 1 2 362.437 2.759 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)Cc2c[nH]c[nH+]2)c1C#N ZINC000595594349 520578827 /nfs/dbraw/zinc/57/88/27/520578827.db2.gz KVUOEOQZHRPHGX-UHFFFAOYSA-N 1 2 362.437 2.759 20 30 FFEDLO Cc1ccccc1[C@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000610216654 520587058 /nfs/dbraw/zinc/58/70/58/520587058.db2.gz CCMDBODRABLVMY-DENIHFKCSA-N 1 2 366.461 2.874 20 30 FFEDLO Cc1ccccc1[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000610216654 520587065 /nfs/dbraw/zinc/58/70/65/520587065.db2.gz CCMDBODRABLVMY-DENIHFKCSA-N 1 2 366.461 2.874 20 30 FFEDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632777 520609638 /nfs/dbraw/zinc/60/96/38/520609638.db2.gz HTAWYJVQRQMSCY-UHFFFAOYSA-N 1 2 358.423 2.859 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632316 520609797 /nfs/dbraw/zinc/60/97/97/520609797.db2.gz DPMJAKFBFAQICQ-PMPSAXMXSA-N 1 2 360.527 2.825 20 30 FFEDLO COC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1cccc(OC)c1 ZINC000595684240 520648190 /nfs/dbraw/zinc/64/81/90/520648190.db2.gz MLYJAYVTWOGZOD-IBGZPJMESA-N 1 2 354.406 2.831 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCOC[C@@H]2c2cccc(F)c2)cc1 ZINC000595759843 520703826 /nfs/dbraw/zinc/70/38/26/520703826.db2.gz OUKZUUYOBRCWPN-AZUAARDMSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@@H]2c2cccc(F)c2)cc1 ZINC000595759843 520703831 /nfs/dbraw/zinc/70/38/31/520703831.db2.gz OUKZUUYOBRCWPN-AZUAARDMSA-N 1 2 356.397 2.511 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000595827964 520751719 /nfs/dbraw/zinc/75/17/19/520751719.db2.gz GHQVHJJVWFPRBW-CJNGLKHVSA-N 1 2 358.269 2.671 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2F)c(C#N)c1C ZINC000595865527 520777112 /nfs/dbraw/zinc/77/71/12/520777112.db2.gz AAXFREYLXVTMGZ-QFYYESIMSA-N 1 2 363.364 2.697 20 30 FFEDLO C[C@H]1C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@]1(C)CO ZINC000595869418 520779574 /nfs/dbraw/zinc/77/95/74/520779574.db2.gz CXKQCUGYRWNMPU-DJJJIMSYSA-N 1 2 361.511 2.777 20 30 FFEDLO C[C@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@]1(C)CO ZINC000595869418 520779586 /nfs/dbraw/zinc/77/95/86/520779586.db2.gz CXKQCUGYRWNMPU-DJJJIMSYSA-N 1 2 361.511 2.777 20 30 FFEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1 ZINC000610675746 520790886 /nfs/dbraw/zinc/79/08/86/520790886.db2.gz VXKCZTSHNINUFS-MISYRCLQSA-N 1 2 354.498 2.564 20 30 FFEDLO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)c2[nH+]ccn21 ZINC000593169201 520794343 /nfs/dbraw/zinc/79/43/43/520794343.db2.gz OCBGKSFCBPYXQJ-QMTHXVAHSA-N 1 2 359.227 2.882 20 30 FFEDLO Cc1cccc(-n2cnc3cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc32)c1 ZINC000598837163 520870598 /nfs/dbraw/zinc/87/05/98/520870598.db2.gz TVRSDEPDMQBKHO-NRFANRHFSA-N 1 2 361.449 2.908 20 30 FFEDLO CN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)[C@@H]1CCC[C@H]1C#N ZINC000601813082 520964511 /nfs/dbraw/zinc/96/45/11/520964511.db2.gz UHXZSHCHXKFFFP-FUHWJXTLSA-N 1 2 365.437 2.676 20 30 FFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000598994401 520966027 /nfs/dbraw/zinc/96/60/27/520966027.db2.gz MFDBCIPKMZDTJN-UHFFFAOYSA-N 1 2 351.454 2.873 20 30 FFEDLO N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000593451575 521000183 /nfs/dbraw/zinc/00/01/83/521000183.db2.gz MANVHKNZOCMZMC-INIZCTEOSA-N 1 2 373.254 2.923 20 30 FFEDLO C[C@H](NC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccc(Cl)cc1Cl ZINC000611174558 521023168 /nfs/dbraw/zinc/02/31/68/521023168.db2.gz HFXUOPPROYZKRT-ZDUSSCGKSA-N 1 2 369.296 2.702 20 30 FFEDLO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CCN(CCC#N)CC1 ZINC000611174134 521023534 /nfs/dbraw/zinc/02/35/34/521023534.db2.gz DXVVGDZSDNCNAI-ZWKOTPCHSA-N 1 2 364.493 2.937 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601975132 521050856 /nfs/dbraw/zinc/05/08/56/521050856.db2.gz LSNRDYJAJGHVDX-QMTHXVAHSA-N 1 2 357.788 2.895 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601975132 521050864 /nfs/dbraw/zinc/05/08/64/521050864.db2.gz LSNRDYJAJGHVDX-QMTHXVAHSA-N 1 2 357.788 2.895 20 30 FFEDLO C[N@@H+]1CCOC[C@H]1CNc1c(C#N)cnc2c(Br)cccc21 ZINC000599160379 521062447 /nfs/dbraw/zinc/06/24/47/521062447.db2.gz GWPJRYBWVXVRHU-GFCCVEGCSA-N 1 2 361.243 2.611 20 30 FFEDLO C[N@H+]1CCOC[C@H]1CNc1c(C#N)cnc2c(Br)cccc21 ZINC000599160379 521062453 /nfs/dbraw/zinc/06/24/53/521062453.db2.gz GWPJRYBWVXVRHU-GFCCVEGCSA-N 1 2 361.243 2.611 20 30 FFEDLO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)CC(=O)OCC ZINC000599278230 521125174 /nfs/dbraw/zinc/12/51/74/521125174.db2.gz ZJGZTCQGKDZAIH-AWEZNQCLSA-N 1 2 374.250 2.890 20 30 FFEDLO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@@H](O)CC(=O)OCC ZINC000599278230 521125163 /nfs/dbraw/zinc/12/51/63/521125163.db2.gz ZJGZTCQGKDZAIH-AWEZNQCLSA-N 1 2 374.250 2.890 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)CCOCC1 ZINC000599284034 521126621 /nfs/dbraw/zinc/12/66/21/521126621.db2.gz KYZWFNLSZOJYNR-CRAIPNDOSA-N 1 2 364.873 2.785 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)CCOCC1 ZINC000599284034 521126625 /nfs/dbraw/zinc/12/66/25/521126625.db2.gz KYZWFNLSZOJYNR-CRAIPNDOSA-N 1 2 364.873 2.785 20 30 FFEDLO CCc1c[nH]c(CC(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)[nH+]1 ZINC000602098937 521141760 /nfs/dbraw/zinc/14/17/60/521141760.db2.gz YIWWVVLUCIJKIB-CYBMUJFWSA-N 1 2 352.316 2.794 20 30 FFEDLO N#CCCC[C@@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000596606211 521161957 /nfs/dbraw/zinc/16/19/57/521161957.db2.gz LTAZKNVTWKIFQK-RTBURBONSA-N 1 2 356.470 2.538 20 30 FFEDLO C[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1noc(-c2ccccc2)n1 ZINC000599361356 521175392 /nfs/dbraw/zinc/17/53/92/521175392.db2.gz CUMSIAPZJMVFSK-YOEHRIQHSA-N 1 2 364.405 2.699 20 30 FFEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000614922233 521195561 /nfs/dbraw/zinc/19/55/61/521195561.db2.gz NPSNVFVMXKWVLI-LRDDRELGSA-N 1 2 355.360 2.929 20 30 FFEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000614922233 521195569 /nfs/dbraw/zinc/19/55/69/521195569.db2.gz NPSNVFVMXKWVLI-LRDDRELGSA-N 1 2 355.360 2.929 20 30 FFEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000614922183 521195911 /nfs/dbraw/zinc/19/59/11/521195911.db2.gz JSAIPWLGITTYIA-BBRMVZONSA-N 1 2 361.408 2.761 20 30 FFEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000614922183 521195917 /nfs/dbraw/zinc/19/59/17/521195917.db2.gz JSAIPWLGITTYIA-BBRMVZONSA-N 1 2 361.408 2.761 20 30 FFEDLO C[C@H]1Cc2cc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc2O1 ZINC000596659176 521196405 /nfs/dbraw/zinc/19/64/05/521196405.db2.gz UIHKHQPXNZMWMK-INIZCTEOSA-N 1 2 361.445 2.840 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(Oc3cnccn3)CC2)c1C#N ZINC000618762785 521219390 /nfs/dbraw/zinc/21/93/90/521219390.db2.gz XLIOSGFXCJXJEL-UHFFFAOYSA-N 1 2 374.448 2.886 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Br)cc1 ZINC000596729693 521249786 /nfs/dbraw/zinc/24/97/86/521249786.db2.gz IQJWQDPEZDYSMR-IUODEOHRSA-N 1 2 359.227 2.589 20 30 FFEDLO C[C@H](CCC#N)C[NH+]1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000602432831 521342211 /nfs/dbraw/zinc/34/22/11/521342211.db2.gz JCQKZAMECZNLEP-CQSZACIVSA-N 1 2 355.891 2.586 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(S(N)(=O)=O)cc1F ZINC000602486574 521373459 /nfs/dbraw/zinc/37/34/59/521373459.db2.gz UWMHZHUWVRXDLW-IEBWSBKVSA-N 1 2 373.453 2.745 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(S(N)(=O)=O)cc1F ZINC000602486574 521373463 /nfs/dbraw/zinc/37/34/63/521373463.db2.gz UWMHZHUWVRXDLW-IEBWSBKVSA-N 1 2 373.453 2.745 20 30 FFEDLO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)Cc2ccccc21 ZINC000599671516 521386312 /nfs/dbraw/zinc/38/63/12/521386312.db2.gz ZHLNIFIKDDPUGD-RDTXWAMCSA-N 1 2 363.417 2.658 20 30 FFEDLO COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)Cc2ccccc21 ZINC000599671516 521386319 /nfs/dbraw/zinc/38/63/19/521386319.db2.gz ZHLNIFIKDDPUGD-RDTXWAMCSA-N 1 2 363.417 2.658 20 30 FFEDLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675017 521390792 /nfs/dbraw/zinc/39/07/92/521390792.db2.gz GZBMOMDACNFNHU-DNVCBOLYSA-N 1 2 368.481 2.515 20 30 FFEDLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675017 521390796 /nfs/dbraw/zinc/39/07/96/521390796.db2.gz GZBMOMDACNFNHU-DNVCBOLYSA-N 1 2 368.481 2.515 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000599677216 521391678 /nfs/dbraw/zinc/39/16/78/521391678.db2.gz IHWMERKLXVJLBB-OAQYLSRUSA-N 1 2 356.429 2.788 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000599677216 521391683 /nfs/dbraw/zinc/39/16/83/521391683.db2.gz IHWMERKLXVJLBB-OAQYLSRUSA-N 1 2 356.429 2.788 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Br)c1 ZINC000597035453 521458983 /nfs/dbraw/zinc/45/89/83/521458983.db2.gz ANDBGLXDIYCMIJ-IAQYHMDHSA-N 1 2 359.227 2.658 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(Br)c1 ZINC000597035453 521458988 /nfs/dbraw/zinc/45/89/88/521458988.db2.gz ANDBGLXDIYCMIJ-IAQYHMDHSA-N 1 2 359.227 2.658 20 30 FFEDLO C[C@]1(C#N)CCCN(C(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000612267846 521550846 /nfs/dbraw/zinc/55/08/46/521550846.db2.gz IKMHVPHMLWEQCA-HXUWFJFHSA-N 1 2 364.405 2.965 20 30 FFEDLO N#Cc1c(C#N)c2c(nc1N[C@H]1CCN(c3cccc[nH+]3)C1)CCCCCC2 ZINC000619486611 521594016 /nfs/dbraw/zinc/59/40/16/521594016.db2.gz JLKGUPOETCONIY-INIZCTEOSA-N 1 2 372.476 2.992 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H](NS(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000619547992 521764589 /nfs/dbraw/zinc/76/45/89/521764589.db2.gz JLNPURHPPYTFNI-OAHLLOKOSA-N 1 2 372.475 2.616 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000623166474 521817323 /nfs/dbraw/zinc/81/73/23/521817323.db2.gz LJBGJYFQPNHBFQ-LJQANCHMSA-N 1 2 371.525 2.792 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(OCC)cc2)CC1 ZINC000623166474 521817330 /nfs/dbraw/zinc/81/73/30/521817330.db2.gz LJBGJYFQPNHBFQ-LJQANCHMSA-N 1 2 371.525 2.792 20 30 FFEDLO C[C@@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000619679875 521823369 /nfs/dbraw/zinc/82/33/69/521823369.db2.gz BRLNQWUZSYKUNK-OAHLLOKOSA-N 1 2 366.446 2.843 20 30 FFEDLO C=C[C@H](CC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000629436912 522218476 /nfs/dbraw/zinc/21/84/76/522218476.db2.gz BXNIZLHBZCDQDH-CTNGQTDRSA-N 1 2 365.477 2.759 20 30 FFEDLO C=C[C@H](CC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000629436912 522218485 /nfs/dbraw/zinc/21/84/85/522218485.db2.gz BXNIZLHBZCDQDH-CTNGQTDRSA-N 1 2 365.477 2.759 20 30 FFEDLO C=CC(C)(C)CCNC(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000625623704 523578986 /nfs/dbraw/zinc/57/89/86/523578986.db2.gz DGVQQTJXJUKXME-UHFFFAOYSA-N 1 2 372.513 2.644 20 30 FFEDLO CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000534056681 562524287 /nfs/dbraw/zinc/52/42/87/562524287.db2.gz HLIWBYTYWDFKNT-CPUCHLNUSA-N 1 2 361.490 2.746 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cccc([C@@H]3CCCOC3)c2)c1C#N ZINC000534307675 562530915 /nfs/dbraw/zinc/53/09/15/562530915.db2.gz LIIHFFXZEPTEIT-MRXNPFEDSA-N 1 2 367.453 2.580 20 30 FFEDLO N#Cc1ccc(F)c(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000743677918 735314644 /nfs/dbraw/zinc/31/46/44/735314644.db2.gz HGCMKVLDYAJDSZ-UHFFFAOYSA-N 1 2 358.442 2.786 20 30 FFEDLO C#CC[NH+]1CCN(Cn2nc(-c3cccs3)n(C3CC3)c2=S)CC1 ZINC000029436561 727894944 /nfs/dbraw/zinc/89/49/44/727894944.db2.gz MUFFCMIAWLNROU-UHFFFAOYSA-N 1 2 359.524 2.686 20 30 FFEDLO N#Cc1ccc(OCCC[N@H+]2CCC[C@H]2C(=O)Nc2nccs2)cc1 ZINC000172261532 729022799 /nfs/dbraw/zinc/02/27/99/729022799.db2.gz BOJAZAMSBXGKHL-INIZCTEOSA-N 1 2 356.451 2.887 20 30 FFEDLO N#Cc1ccc(OCCC[N@@H+]2CCC[C@H]2C(=O)Nc2nccs2)cc1 ZINC000172261532 729022803 /nfs/dbraw/zinc/02/28/03/729022803.db2.gz BOJAZAMSBXGKHL-INIZCTEOSA-N 1 2 356.451 2.887 20 30 FFEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc(C(F)(F)F)cc2)C1=O ZINC000182625615 729283054 /nfs/dbraw/zinc/28/30/54/729283054.db2.gz SKHCKWULYSSOCQ-INIZCTEOSA-N 1 2 355.360 2.938 20 30 FFEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc(C(F)(F)F)cc2)C1=O ZINC000182625615 729283055 /nfs/dbraw/zinc/28/30/55/729283055.db2.gz SKHCKWULYSSOCQ-INIZCTEOSA-N 1 2 355.360 2.938 20 30 FFEDLO Cc1c(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)sc2nccn12 ZINC000328785032 729795082 /nfs/dbraw/zinc/79/50/82/729795082.db2.gz INSLIMWTHZVZLB-CQSZACIVSA-N 1 2 350.488 2.756 20 30 FFEDLO CO[C@H]1C[C@@H](C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)[N@H+](C)C1 ZINC000329143620 729796647 /nfs/dbraw/zinc/79/66/47/729796647.db2.gz VRFBUOXWPCVKIF-YCPHGPKFSA-N 1 2 352.406 2.691 20 30 FFEDLO CO[C@H]1C[C@@H](C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)[N@@H+](C)C1 ZINC000329143620 729796649 /nfs/dbraw/zinc/79/66/49/729796649.db2.gz VRFBUOXWPCVKIF-YCPHGPKFSA-N 1 2 352.406 2.691 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(Br)c(F)c2F)CC1 ZINC000859003941 730439321 /nfs/dbraw/zinc/43/93/21/730439321.db2.gz YCHOLJSTNSXGEU-UHFFFAOYSA-N 1 2 357.198 2.508 20 30 FFEDLO C=C(Cl)C[C@H]1NC(=O)N(c2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1=O ZINC000864555887 730860064 /nfs/dbraw/zinc/86/00/64/730860064.db2.gz ZZLMUVGRRBSZNN-CZUORRHYSA-N 1 2 363.845 2.647 20 30 FFEDLO CN1CC[NH+](Cc2cccc(NC(=O)c3sccc3CC#N)c2)CC1 ZINC000865001542 730901170 /nfs/dbraw/zinc/90/11/70/730901170.db2.gz QWNHPSQJAWXCHJ-UHFFFAOYSA-N 1 2 354.479 2.814 20 30 FFEDLO N#C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000865655642 730982139 /nfs/dbraw/zinc/98/21/39/730982139.db2.gz KQYCMCHMWQSIEU-OYADATRGSA-N 1 2 354.237 2.563 20 30 FFEDLO C=CCN(CCc1c[nH+]cn1C)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000663931149 732516475 /nfs/dbraw/zinc/51/64/75/732516475.db2.gz WYUXNIFLXVYJMN-UHFFFAOYSA-N 1 2 373.400 2.858 20 30 FFEDLO CC[C@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1cccc(C#N)c1O ZINC000926880244 738664277 /nfs/dbraw/zinc/66/42/77/738664277.db2.gz SRMYAVCGWQWTAO-PGEKIEPBSA-N 1 2 350.484 2.908 20 30 FFEDLO C=C[C@H](CO)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000668753217 733160231 /nfs/dbraw/zinc/16/02/31/733160231.db2.gz CRPMTPPMPIBDKY-MRVPVSSYSA-N 1 2 351.038 2.554 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000884316575 733510779 /nfs/dbraw/zinc/51/07/79/733510779.db2.gz WYHJTVWIPVOSST-HOTGVXAUSA-N 1 2 350.846 2.840 20 30 FFEDLO C=CCC1(O)CC[NH+]([C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000887306134 733908351 /nfs/dbraw/zinc/90/83/51/733908351.db2.gz KFGUWVLJYOZZFQ-OAHLLOKOSA-N 1 2 366.820 2.514 20 30 FFEDLO CC1CCC(NC(=O)CO[NH+]=C(N)c2ccc(Br)cc2)CC1 ZINC000782949166 738767065 /nfs/dbraw/zinc/76/70/65/738767065.db2.gz CJPBFJBBFMFFJT-UHFFFAOYSA-N 1 2 368.275 2.781 20 30 FFEDLO CC(C)(C)c1noc(CO[NH+]=C(N)c2ccc(Br)cc2)n1 ZINC000782950351 738767557 /nfs/dbraw/zinc/76/75/57/738767557.db2.gz WJVVVHSRXHSQBA-UHFFFAOYSA-N 1 2 353.220 2.967 20 30 FFEDLO CN(Cc1cc(C#N)cs1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000891742011 734470501 /nfs/dbraw/zinc/47/05/01/734470501.db2.gz YRCFLGZDYXBWFV-UHFFFAOYSA-N 1 2 355.467 2.957 20 30 FFEDLO CCCCCNC(=S)N[NH+]=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000727253612 734474344 /nfs/dbraw/zinc/47/43/44/734474344.db2.gz JQZFQXRUVKSRHU-UHFFFAOYSA-N 1 2 352.479 2.651 20 30 FFEDLO CC(=[NH+]NC(=S)NCCCN(C)c1ccccc1)c1ccc(N)cc1 ZINC000727261156 734474671 /nfs/dbraw/zinc/47/46/71/734474671.db2.gz SGWZVMYFGGHBHM-UHFFFAOYSA-N 1 2 355.511 2.983 20 30 FFEDLO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1csc(C#N)c1 ZINC000891814979 734479215 /nfs/dbraw/zinc/47/92/15/734479215.db2.gz RRKNBSFDQWJHDF-UHFFFAOYSA-N 1 2 364.492 2.924 20 30 FFEDLO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1csc(C#N)c1 ZINC000891814979 734479216 /nfs/dbraw/zinc/47/92/16/734479216.db2.gz RRKNBSFDQWJHDF-UHFFFAOYSA-N 1 2 364.492 2.924 20 30 FFEDLO C=CCN1C(=O)N[C@@H](c2cc(-n3cc[nH+]c3)cs2)C(C(=O)OC)=C1C ZINC000783926712 738849591 /nfs/dbraw/zinc/84/95/91/738849591.db2.gz HZTSWRBHKRQTTB-HNNXBMFYSA-N 1 2 358.423 2.633 20 30 FFEDLO COCCOCc1cc(C#N)ccc1NCc1nc(C[NH+](C)C)cs1 ZINC000895479260 735012698 /nfs/dbraw/zinc/01/26/98/735012698.db2.gz OGCGLYZCGZVKNJ-UHFFFAOYSA-N 1 2 360.483 2.851 20 30 FFEDLO C#CCC1(O)CC[NH+](Cc2ccc(I)s2)CC1 ZINC000895670930 735039048 /nfs/dbraw/zinc/03/90/48/735039048.db2.gz XSHQKKIUHHMWJL-UHFFFAOYSA-N 1 2 361.248 2.703 20 30 FFEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896905849 735187445 /nfs/dbraw/zinc/18/74/45/735187445.db2.gz MAUBRZLKXJQGKY-LBPRGKRZSA-N 1 2 356.854 2.679 20 30 FFEDLO CCN(C)c1ccc(C(C)=[NH+]NC(=S)NCCc2ccccn2)cc1 ZINC000748076632 735615284 /nfs/dbraw/zinc/61/52/84/735615284.db2.gz WRGKUFFNEMIIQT-UHFFFAOYSA-N 1 2 355.511 2.969 20 30 FFEDLO CC(=NNCCCn1cc[nH+]c1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000901262415 735761876 /nfs/dbraw/zinc/76/18/76/735761876.db2.gz WRQSDTYGIILRLP-UHFFFAOYSA-N 1 2 374.388 2.581 20 30 FFEDLO O=C1C[C@@H](c2ccc(Cl)cc2)N1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902599630 735967402 /nfs/dbraw/zinc/96/74/02/735967402.db2.gz IGGZPEDQZJSSBW-KRWDZBQOSA-N 1 2 360.841 2.909 20 30 FFEDLO Cc1cc(N)cc(C)c1C=[NH+]Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000752728438 736007778 /nfs/dbraw/zinc/00/77/78/736007778.db2.gz SOONALJSCAIUAT-UHFFFAOYSA-N 1 2 358.467 2.772 20 30 FFEDLO C#CC[N@@H+](CC)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000754050478 736119800 /nfs/dbraw/zinc/11/98/00/736119800.db2.gz KSRRBZVZJHFNCC-HXUWFJFHSA-N 1 2 356.491 2.970 20 30 FFEDLO C#CC[N@H+](CC)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000754050478 736119803 /nfs/dbraw/zinc/11/98/03/736119803.db2.gz KSRRBZVZJHFNCC-HXUWFJFHSA-N 1 2 356.491 2.970 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(C(C)(C)Cc2ccc(Cl)cc2)no1 ZINC000904124437 736224293 /nfs/dbraw/zinc/22/42/93/736224293.db2.gz YEPUZKJAXQUDFX-AWEZNQCLSA-N 1 2 363.845 2.842 20 30 FFEDLO C=CCSc1nc2ccccc2n1C[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000763380919 736934094 /nfs/dbraw/zinc/93/40/94/736934094.db2.gz GKQPJNKFRDKCOF-AWEZNQCLSA-N 1 2 365.524 2.781 20 30 FFEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000763380919 736934098 /nfs/dbraw/zinc/93/40/98/736934098.db2.gz GKQPJNKFRDKCOF-AWEZNQCLSA-N 1 2 365.524 2.781 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000929148368 738948520 /nfs/dbraw/zinc/94/85/20/738948520.db2.gz BHXMASNZDFCGJY-LSDHHAIUSA-N 1 2 354.376 2.575 20 30 FFEDLO C#CC[NH+]1CCN(Cn2nc(Nc3ccc(C)cc3)sc2=S)CC1 ZINC000913058236 737372637 /nfs/dbraw/zinc/37/26/37/737372637.db2.gz DPJATOUSFLAORT-UHFFFAOYSA-N 1 2 359.524 2.934 20 30 FFEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000914060416 737497061 /nfs/dbraw/zinc/49/70/61/737497061.db2.gz MRAZCMYEJREMFL-QGZVFWFLSA-N 1 2 358.467 2.539 20 30 FFEDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)CC(C)(C)C#N)cc1 ZINC000914316411 737554203 /nfs/dbraw/zinc/55/42/03/737554203.db2.gz SNMCCEMBEAHTSY-UHFFFAOYSA-N 1 2 359.451 2.976 20 30 FFEDLO Fc1ccc(CNC(=S)NN=C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000915958823 737667295 /nfs/dbraw/zinc/66/72/95/737667295.db2.gz YIOUFWZTUJHBRV-UHFFFAOYSA-N 1 2 357.458 2.841 20 30 FFEDLO C=C(Cl)C[NH2+]Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000921755577 738037877 /nfs/dbraw/zinc/03/78/77/738037877.db2.gz CPVQPCZDGKXLLT-CYBMUJFWSA-N 1 2 355.870 2.692 20 30 FFEDLO CCc1nn(C)c(OC)c1C[NH2+]Cc1cc(C#N)ccc1Br ZINC000921961959 738074734 /nfs/dbraw/zinc/07/47/34/738074734.db2.gz XXOXRDNKVSFGTA-UHFFFAOYSA-N 1 2 363.259 2.915 20 30 FFEDLO C#C[C@H]([NH2+]Cc1csc(-c2ccc(C(=O)OC)cc2)n1)[C@@H]1CCCO1 ZINC000775804525 738126674 /nfs/dbraw/zinc/12/66/74/738126674.db2.gz AKVLGERAQSPZQK-IRXDYDNUSA-N 1 2 356.447 2.867 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1 ZINC000931933860 739355028 /nfs/dbraw/zinc/35/50/28/739355028.db2.gz SLYFLPUVJGZTAY-QUCCMNQESA-N 1 2 352.459 2.605 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1 ZINC000931933860 739355032 /nfs/dbraw/zinc/35/50/32/739355032.db2.gz SLYFLPUVJGZTAY-QUCCMNQESA-N 1 2 352.459 2.605 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1 ZINC000931933858 739355142 /nfs/dbraw/zinc/35/51/42/739355142.db2.gz SLYFLPUVJGZTAY-AZUAARDMSA-N 1 2 352.459 2.605 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1 ZINC000931933858 739355147 /nfs/dbraw/zinc/35/51/47/739355147.db2.gz SLYFLPUVJGZTAY-AZUAARDMSA-N 1 2 352.459 2.605 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931945811 739357470 /nfs/dbraw/zinc/35/74/70/739357470.db2.gz YLIFHDUSFQEALA-DZGCQCFKSA-N 1 2 360.483 2.832 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931945811 739357475 /nfs/dbraw/zinc/35/74/75/739357475.db2.gz YLIFHDUSFQEALA-DZGCQCFKSA-N 1 2 360.483 2.832 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(C(=O)C3(C#N)CCSCC3)CC2)s1 ZINC000933245375 739587810 /nfs/dbraw/zinc/58/78/10/739587810.db2.gz HBURAJMHFHBVAE-UHFFFAOYSA-N 1 2 363.552 2.992 20 30 FFEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)s1 ZINC000794690113 739919920 /nfs/dbraw/zinc/91/99/20/739919920.db2.gz HXRGDZWPXYGBIY-BQYQJAHWSA-N 1 2 357.479 2.937 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)C(C)(C)C1 ZINC000941046818 740195237 /nfs/dbraw/zinc/19/52/37/740195237.db2.gz MPOGKQDPBGZUHF-MGPQQGTHSA-N 1 2 359.308 2.679 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)C(C)(C)C1 ZINC000941046818 740195238 /nfs/dbraw/zinc/19/52/38/740195238.db2.gz MPOGKQDPBGZUHF-MGPQQGTHSA-N 1 2 359.308 2.679 20 30 FFEDLO C[C@@H](C#N)OCCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000801655381 740639218 /nfs/dbraw/zinc/63/92/18/740639218.db2.gz XVSDDVSKNBUMMO-HNNXBMFYSA-N 1 2 357.483 2.884 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](OC(F)F)C2)cc1C ZINC000801986640 740669627 /nfs/dbraw/zinc/66/96/27/740669627.db2.gz DENLCBRNCZJVLP-INIZCTEOSA-N 1 2 351.397 2.864 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](OC(F)F)C2)cc1C ZINC000801986640 740669629 /nfs/dbraw/zinc/66/96/29/740669629.db2.gz DENLCBRNCZJVLP-INIZCTEOSA-N 1 2 351.397 2.864 20 30 FFEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)C2)C1 ZINC000972594061 740839328 /nfs/dbraw/zinc/83/93/28/740839328.db2.gz QADHFKFVDZLVPB-NLWGTHIKSA-N 1 2 360.885 2.933 20 30 FFEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)C2)C1 ZINC000972594061 740839332 /nfs/dbraw/zinc/83/93/32/740839332.db2.gz QADHFKFVDZLVPB-NLWGTHIKSA-N 1 2 360.885 2.933 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C(C)(C)C1 ZINC000974603428 740885780 /nfs/dbraw/zinc/88/57/80/740885780.db2.gz NJIMBOJDYNQOHV-ZACQAIPSSA-N 1 2 363.889 2.738 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C(C)(C)C1 ZINC000974603428 740885781 /nfs/dbraw/zinc/88/57/81/740885781.db2.gz NJIMBOJDYNQOHV-ZACQAIPSSA-N 1 2 363.889 2.738 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[N@H+](CC#Cc3ccc(Cl)cc3)CC2)O1 ZINC000981999251 741184256 /nfs/dbraw/zinc/18/42/56/741184256.db2.gz ORNVCEYLMUKVTJ-VQIMIIECSA-N 1 2 360.885 2.793 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)CC2)O1 ZINC000981999251 741184259 /nfs/dbraw/zinc/18/42/59/741184259.db2.gz ORNVCEYLMUKVTJ-VQIMIIECSA-N 1 2 360.885 2.793 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccncc2Cl)CC1 ZINC000982173460 741199590 /nfs/dbraw/zinc/19/95/90/741199590.db2.gz NKWAJYLQUYFWER-WMZOPIPTSA-N 1 2 363.889 2.751 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccncc2Cl)CC1 ZINC000982173460 741199594 /nfs/dbraw/zinc/19/95/94/741199594.db2.gz NKWAJYLQUYFWER-WMZOPIPTSA-N 1 2 363.889 2.751 20 30 FFEDLO C#CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000808306360 741209713 /nfs/dbraw/zinc/20/97/13/741209713.db2.gz SEBDPHZOUGJLEO-SJORKVTESA-N 1 2 372.893 2.946 20 30 FFEDLO C#CCCS(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000808306360 741209718 /nfs/dbraw/zinc/20/97/18/741209718.db2.gz SEBDPHZOUGJLEO-SJORKVTESA-N 1 2 372.893 2.946 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1cscn1)CC2 ZINC000990734153 741727368 /nfs/dbraw/zinc/72/73/68/741727368.db2.gz ABTQJELNTNKFDR-VUHPKUFZSA-N 1 2 361.511 2.738 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1cscn1)CC2 ZINC000990734153 741727371 /nfs/dbraw/zinc/72/73/71/741727371.db2.gz ABTQJELNTNKFDR-VUHPKUFZSA-N 1 2 361.511 2.738 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001008558149 742380847 /nfs/dbraw/zinc/38/08/47/742380847.db2.gz HPPVUVOVEBOCCB-DAYGRLMNSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001008558149 742380854 /nfs/dbraw/zinc/38/08/54/742380854.db2.gz HPPVUVOVEBOCCB-DAYGRLMNSA-N 1 2 350.409 2.637 20 30 FFEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000830574277 745384783 /nfs/dbraw/zinc/38/47/83/745384783.db2.gz NEXPJFRRXHOJFX-OAHLLOKOSA-N 1 2 351.834 2.905 20 30 FFEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000830574277 745384785 /nfs/dbraw/zinc/38/47/85/745384785.db2.gz NEXPJFRRXHOJFX-OAHLLOKOSA-N 1 2 351.834 2.905 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)cc1 ZINC000835056428 745941059 /nfs/dbraw/zinc/94/10/59/745941059.db2.gz GIEMYVLZHLFTMX-HNNXBMFYSA-N 1 2 355.463 2.502 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)cc1 ZINC000835056428 745941065 /nfs/dbraw/zinc/94/10/65/745941065.db2.gz GIEMYVLZHLFTMX-HNNXBMFYSA-N 1 2 355.463 2.502 20 30 FFEDLO C#C[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)[C@H]1CCCO1 ZINC000839562625 746856336 /nfs/dbraw/zinc/85/63/36/746856336.db2.gz BMHHWFGXPQGZQN-GXTWGEPZSA-N 1 2 355.419 2.927 20 30 FFEDLO C#CCNC(=O)C1CC[NH+](Cc2cc(Br)cc(F)c2F)CC1 ZINC000844288916 747997807 /nfs/dbraw/zinc/99/78/07/747997807.db2.gz XWROUQWWTPPHNL-UHFFFAOYSA-N 1 2 371.225 2.689 20 30 FFEDLO C[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)n1cc[nH+]c1 ZINC000845278911 748218423 /nfs/dbraw/zinc/21/84/23/748218423.db2.gz XJNOQIIKMOEBTG-RYUDHWBXSA-N 1 2 360.801 2.930 20 30 FFEDLO COc1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@H](C)n2cc[nH+]c2)cc1Cl ZINC000845441860 748259617 /nfs/dbraw/zinc/25/96/17/748259617.db2.gz AJOFSXPRIQAFSB-AAEUAGOBSA-N 1 2 360.801 2.844 20 30 FFEDLO C=C[C@H](C)ONC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000845626986 748294884 /nfs/dbraw/zinc/29/48/84/748294884.db2.gz LLXADISPXYFMDW-APHBMKBZSA-N 1 2 353.850 2.517 20 30 FFEDLO C=C[C@H](C)ONC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000845626986 748294886 /nfs/dbraw/zinc/29/48/86/748294886.db2.gz LLXADISPXYFMDW-APHBMKBZSA-N 1 2 353.850 2.517 20 30 FFEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H](O)c2ccccn2)CC1 ZINC000851999598 749747908 /nfs/dbraw/zinc/74/79/08/749747908.db2.gz NFMXFEAPVSUINI-RBUKOAKNSA-N 1 2 356.857 2.651 20 30 FFEDLO C#CCC[N@@H+](CCOC)Cc1ccc(C(=O)OC)cc1Br ZINC000852748558 749943541 /nfs/dbraw/zinc/94/35/41/749943541.db2.gz DGJDUGLSEOKDND-UHFFFAOYSA-N 1 2 354.244 2.707 20 30 FFEDLO C#CCC[N@H+](CCOC)Cc1ccc(C(=O)OC)cc1Br ZINC000852748558 749943545 /nfs/dbraw/zinc/94/35/45/749943545.db2.gz DGJDUGLSEOKDND-UHFFFAOYSA-N 1 2 354.244 2.707 20 30 FFEDLO C#CCC[N@@H+](CCOC)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000852752856 749943941 /nfs/dbraw/zinc/94/39/41/749943941.db2.gz OKMDVJCKCOMFCK-UHFFFAOYSA-N 1 2 354.204 2.564 20 30 FFEDLO C#CCC[N@H+](CCOC)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000852752856 749943951 /nfs/dbraw/zinc/94/39/51/749943951.db2.gz OKMDVJCKCOMFCK-UHFFFAOYSA-N 1 2 354.204 2.564 20 30 FFEDLO C=CC[N@H+](Cn1c2ccc(Br)cc2oc1=O)[C@H](C)COC ZINC000853533175 750085665 /nfs/dbraw/zinc/08/56/65/750085665.db2.gz WXOAXBLAWGDNLA-LLVKDONJSA-N 1 2 355.232 2.837 20 30 FFEDLO C=CC[N@@H+](Cn1c2ccc(Br)cc2oc1=O)[C@H](C)COC ZINC000853533175 750085670 /nfs/dbraw/zinc/08/56/70/750085670.db2.gz WXOAXBLAWGDNLA-LLVKDONJSA-N 1 2 355.232 2.837 20 30 FFEDLO O=C(c1cc[nH]c1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075824649 970813162 /nfs/dbraw/zinc/81/31/62/970813162.db2.gz ICCMLMMBAYZDRI-PKOBYXMFSA-N 1 2 353.853 2.866 20 30 FFEDLO O=C(c1cc[nH]c1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075824649 970813171 /nfs/dbraw/zinc/81/31/71/970813171.db2.gz ICCMLMMBAYZDRI-PKOBYXMFSA-N 1 2 353.853 2.866 20 30 FFEDLO N#Cc1cc(F)ccc1N1CC[NH+](Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000895841841 970992515 /nfs/dbraw/zinc/99/25/15/970992515.db2.gz IUXXGPLILHEVIY-UHFFFAOYSA-N 1 2 352.369 2.866 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(F)(F)C(F)F)C2)cn1 ZINC001104927753 971170045 /nfs/dbraw/zinc/17/00/45/971170045.db2.gz SBBSNLILTGGFKR-TZMCWYRMSA-N 1 2 371.378 2.651 20 30 FFEDLO C=C[C@H](CC)CC(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000909531381 971179983 /nfs/dbraw/zinc/17/99/83/971179983.db2.gz XUMSTVBIIJAFJW-MRXNPFEDSA-N 1 2 360.454 2.603 20 30 FFEDLO N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3cn4cccc(F)c4n3)C2)nc1 ZINC000896653248 971653224 /nfs/dbraw/zinc/65/32/24/971653224.db2.gz CXRKGDAONCRZQG-HNNXBMFYSA-N 1 2 350.401 2.817 20 30 FFEDLO N#Cc1ccc(N[C@H]2CCC[N@H+](Cc3cn4cccc(F)c4n3)C2)nc1 ZINC000896653248 971653228 /nfs/dbraw/zinc/65/32/28/971653228.db2.gz CXRKGDAONCRZQG-HNNXBMFYSA-N 1 2 350.401 2.817 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1 ZINC000194261573 971854354 /nfs/dbraw/zinc/85/43/54/971854354.db2.gz WTHCDDKCGOKFJT-CYBMUJFWSA-N 1 2 359.401 2.691 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnoc1C ZINC001029508441 972378394 /nfs/dbraw/zinc/37/83/94/972378394.db2.gz DJHGIACJHKVYRH-RDGPPVDQSA-N 1 2 359.470 2.530 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnoc1C ZINC001029508441 972378401 /nfs/dbraw/zinc/37/84/01/972378401.db2.gz DJHGIACJHKVYRH-RDGPPVDQSA-N 1 2 359.470 2.530 20 30 FFEDLO C=CCC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1C)c1ccccc1 ZINC001211495366 959323891 /nfs/dbraw/zinc/32/38/91/959323891.db2.gz KOJGFJFWUMBIQO-NSISKUIASA-N 1 2 367.497 2.502 20 30 FFEDLO C=CCC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1C)c1ccccc1 ZINC001211495366 959323911 /nfs/dbraw/zinc/32/39/11/959323911.db2.gz KOJGFJFWUMBIQO-NSISKUIASA-N 1 2 367.497 2.502 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)C1CC[NH+](Cc2cscn2)CC1 ZINC001266389948 960201647 /nfs/dbraw/zinc/20/16/47/960201647.db2.gz FPIRBZUHJXFGOQ-MSOLQXFVSA-N 1 2 363.527 2.937 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001275936315 1013210968 /nfs/dbraw/zinc/21/09/68/1013210968.db2.gz NXDAUUCECLEATP-LZQZEXGQSA-N 1 2 369.465 2.869 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001275936315 1013210974 /nfs/dbraw/zinc/21/09/74/1013210974.db2.gz NXDAUUCECLEATP-LZQZEXGQSA-N 1 2 369.465 2.869 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000065947175 1013352957 /nfs/dbraw/zinc/35/29/57/1013352957.db2.gz WAULLJZSGWCTEL-UHFFFAOYSA-N 1 2 367.365 2.697 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1OC ZINC001111488627 962948473 /nfs/dbraw/zinc/94/84/73/962948473.db2.gz PQQSNGYKFMIAPJ-PILAGYSTSA-N 1 2 362.445 2.647 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1OC ZINC001111488627 962948483 /nfs/dbraw/zinc/94/84/83/962948483.db2.gz PQQSNGYKFMIAPJ-PILAGYSTSA-N 1 2 362.445 2.647 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(C(F)(F)F)ccn1 ZINC001276078058 1013409307 /nfs/dbraw/zinc/40/93/07/1013409307.db2.gz ZEFFRCTUDHWFPW-QGZVFWFLSA-N 1 2 351.372 2.691 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C(F)(F)F)ccn1 ZINC001276078058 1013409312 /nfs/dbraw/zinc/40/93/12/1013409312.db2.gz ZEFFRCTUDHWFPW-QGZVFWFLSA-N 1 2 351.372 2.691 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001059093073 964039559 /nfs/dbraw/zinc/03/95/59/964039559.db2.gz UFLMHRGSHGUIIT-BBWFWOEESA-N 1 2 358.486 2.902 20 30 FFEDLO C=CCn1c([C@H]2CCCS2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000643722335 964155280 /nfs/dbraw/zinc/15/52/80/964155280.db2.gz AWHMTIBWGQYEQH-QGZVFWFLSA-N 1 2 370.526 2.749 20 30 FFEDLO C=C(C)CN1CC2(C[NH+](Cc3c[nH]c4c3cccc4CC)C2)OCC1=O ZINC001276111688 1013474378 /nfs/dbraw/zinc/47/43/78/1013474378.db2.gz FEYBLBHTWLCLNV-UHFFFAOYSA-N 1 2 353.466 2.720 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2oc(CC)nc2C)C1 ZINC001087468900 965281951 /nfs/dbraw/zinc/28/19/51/965281951.db2.gz ZJOSGVNQNHZMCH-QZTJIDSGSA-N 1 2 369.440 2.906 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2oc(CC)nc2C)C1 ZINC001087468900 965281959 /nfs/dbraw/zinc/28/19/59/965281959.db2.gz ZJOSGVNQNHZMCH-QZTJIDSGSA-N 1 2 369.440 2.906 20 30 FFEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000092915068 965423441 /nfs/dbraw/zinc/42/34/41/965423441.db2.gz IBCJWFWKYXRXHT-OAQYLSRUSA-N 1 2 366.465 2.961 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2oc(C)nc2C)C1 ZINC001087473451 965496024 /nfs/dbraw/zinc/49/60/24/965496024.db2.gz FKKNFJZTEORFHR-OALUTQOASA-N 1 2 367.449 2.521 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2oc(C)nc2C)C1 ZINC001087473451 965496034 /nfs/dbraw/zinc/49/60/34/965496034.db2.gz FKKNFJZTEORFHR-OALUTQOASA-N 1 2 367.449 2.521 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccccn2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087486666 966058160 /nfs/dbraw/zinc/05/81/60/966058160.db2.gz PYLRDKXBHJWPCW-PKOBYXMFSA-N 1 2 352.413 2.875 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccccn2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087486666 966058174 /nfs/dbraw/zinc/05/81/74/966058174.db2.gz PYLRDKXBHJWPCW-PKOBYXMFSA-N 1 2 352.413 2.875 20 30 FFEDLO C[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21)C1CCCC1 ZINC001083244785 966461287 /nfs/dbraw/zinc/46/12/87/966461287.db2.gz KDTSYRQTAQHRGC-BVYCBKJFSA-N 1 2 366.505 2.776 20 30 FFEDLO C[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21)C1CCCC1 ZINC001083244785 966461296 /nfs/dbraw/zinc/46/12/96/966461296.db2.gz KDTSYRQTAQHRGC-BVYCBKJFSA-N 1 2 366.505 2.776 20 30 FFEDLO COc1cccc(C=Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)c1O ZINC000588534469 966697007 /nfs/dbraw/zinc/69/70/07/966697007.db2.gz AUFXTZBUNIXNOS-UHFFFAOYSA-N 1 2 367.449 2.816 20 30 FFEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC000972430458 967067242 /nfs/dbraw/zinc/06/72/42/967067242.db2.gz FPBYUDYNDDEDDT-SJBKTWHCSA-N 1 2 352.478 2.507 20 30 FFEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC000972430458 967067258 /nfs/dbraw/zinc/06/72/58/967067258.db2.gz FPBYUDYNDDEDDT-SJBKTWHCSA-N 1 2 352.478 2.507 20 30 FFEDLO Cc1ccc(C#N)c(NC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCCC2)n1 ZINC001104440330 967230204 /nfs/dbraw/zinc/23/02/04/967230204.db2.gz ZGOOMIZRFYLXCK-HZPDHXFCSA-N 1 2 364.453 2.629 20 30 FFEDLO Cc1ccc(C#N)c(NC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCCC2)n1 ZINC001104440330 967230210 /nfs/dbraw/zinc/23/02/10/967230210.db2.gz ZGOOMIZRFYLXCK-HZPDHXFCSA-N 1 2 364.453 2.629 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)c(C)o2)C1 ZINC000972507766 967459178 /nfs/dbraw/zinc/45/91/78/967459178.db2.gz CLUIGDVGJQKFSQ-AOIWGVFYSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)c(C)o2)C1 ZINC000972507766 967459187 /nfs/dbraw/zinc/45/91/87/967459187.db2.gz CLUIGDVGJQKFSQ-AOIWGVFYSA-N 1 2 361.486 2.695 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC001087535558 967891274 /nfs/dbraw/zinc/89/12/74/967891274.db2.gz QBSJTYKZWHPUDB-GOEBONIOSA-N 1 2 369.469 2.955 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC001087535558 967891284 /nfs/dbraw/zinc/89/12/84/967891284.db2.gz QBSJTYKZWHPUDB-GOEBONIOSA-N 1 2 369.469 2.955 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC2(F)F)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087565037 968162213 /nfs/dbraw/zinc/16/22/13/968162213.db2.gz GYBAYXHEEZSSRB-OWCLPIDISA-N 1 2 351.372 2.822 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC2(F)F)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087565037 968162217 /nfs/dbraw/zinc/16/22/17/968162217.db2.gz GYBAYXHEEZSSRB-OWCLPIDISA-N 1 2 351.372 2.822 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(F)c1 ZINC001111482521 968184157 /nfs/dbraw/zinc/18/41/57/968184157.db2.gz OBOQLQFOVJZFSU-OLMNPRSZSA-N 1 2 350.409 2.779 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(F)c1 ZINC001111482521 968184163 /nfs/dbraw/zinc/18/41/63/968184163.db2.gz OBOQLQFOVJZFSU-OLMNPRSZSA-N 1 2 350.409 2.779 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2ncc(C)cn2)[C@@H]1CC ZINC001087603012 968328774 /nfs/dbraw/zinc/32/87/74/968328774.db2.gz UCXSQDJGFNHDQF-DLBZAZTESA-N 1 2 353.470 2.555 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)cn2)[C@@H]1CC ZINC001087603012 968328780 /nfs/dbraw/zinc/32/87/80/968328780.db2.gz UCXSQDJGFNHDQF-DLBZAZTESA-N 1 2 353.470 2.555 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncn(-c3ccccc3)n2)[C@H]1CC ZINC001087616465 968374002 /nfs/dbraw/zinc/37/40/02/968374002.db2.gz ZBBMPGPMOHETCU-JKSUJKDBSA-N 1 2 359.861 2.603 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncn(-c3ccccc3)n2)[C@H]1CC ZINC001087616465 968374009 /nfs/dbraw/zinc/37/40/09/968374009.db2.gz ZBBMPGPMOHETCU-JKSUJKDBSA-N 1 2 359.861 2.603 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001058568957 968483948 /nfs/dbraw/zinc/48/39/48/968483948.db2.gz NZZWMSDSWIBJQJ-AOIWGVFYSA-N 1 2 370.497 2.729 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001058571224 968613312 /nfs/dbraw/zinc/61/33/12/968613312.db2.gz CFELERNCKVWGSI-BBWFWOEESA-N 1 2 358.486 2.585 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2[nH]c(C)nc2C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087730688 968785404 /nfs/dbraw/zinc/78/54/04/968785404.db2.gz XFOSWVSZAMFZQY-ZWKOTPCHSA-N 1 2 369.444 2.820 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2[nH]c(C)nc2C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087730688 968785413 /nfs/dbraw/zinc/78/54/13/968785413.db2.gz XFOSWVSZAMFZQY-ZWKOTPCHSA-N 1 2 369.444 2.820 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccn(C(C)C)n2)[C@@H]1CC ZINC001087758647 968914750 /nfs/dbraw/zinc/91/47/50/968914750.db2.gz FBWQDYBLXQIPFQ-HAGHYFMRSA-N 1 2 374.529 2.914 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)[C@@H]1CC ZINC001087758647 968914752 /nfs/dbraw/zinc/91/47/52/968914752.db2.gz FBWQDYBLXQIPFQ-HAGHYFMRSA-N 1 2 374.529 2.914 20 30 FFEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000658646619 968949973 /nfs/dbraw/zinc/94/99/73/968949973.db2.gz KPGWYWGSWMAHGA-IBGZPJMESA-N 1 2 372.513 2.717 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCOC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087775698 968996760 /nfs/dbraw/zinc/99/67/60/968996760.db2.gz UJSANNVDGPVTKU-NSHGMRRFSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCOC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087775698 968996768 /nfs/dbraw/zinc/99/67/68/968996768.db2.gz UJSANNVDGPVTKU-NSHGMRRFSA-N 1 2 359.445 2.593 20 30 FFEDLO C=CCCC1(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CCCC1 ZINC000658701849 969008431 /nfs/dbraw/zinc/00/84/31/969008431.db2.gz HDHJQECCTXUFBR-QZTJIDSGSA-N 1 2 372.513 2.935 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001267481229 969084474 /nfs/dbraw/zinc/08/44/74/969084474.db2.gz GQCXAXOWFRHYIJ-JJXSEGSLSA-N 1 2 371.319 2.775 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001267481229 969084489 /nfs/dbraw/zinc/08/44/89/969084489.db2.gz GQCXAXOWFRHYIJ-JJXSEGSLSA-N 1 2 371.319 2.775 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3csc(C)n3)[C@@H]2CC)cn1 ZINC001087801395 969126990 /nfs/dbraw/zinc/12/69/90/969126990.db2.gz MMDBYQHKLDRYOL-ZWKOTPCHSA-N 1 2 354.479 2.611 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3csc(C)n3)[C@@H]2CC)cn1 ZINC001087801395 969126991 /nfs/dbraw/zinc/12/69/91/969126991.db2.gz MMDBYQHKLDRYOL-ZWKOTPCHSA-N 1 2 354.479 2.611 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ncc(CC)o1 ZINC001024707362 969267598 /nfs/dbraw/zinc/26/75/98/969267598.db2.gz LVNZQNFAIZBLMK-IEZWGBDMSA-N 1 2 361.486 2.689 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ncc(CC)o1 ZINC001024707362 969267608 /nfs/dbraw/zinc/26/76/08/969267608.db2.gz LVNZQNFAIZBLMK-IEZWGBDMSA-N 1 2 361.486 2.689 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cncc(F)c1 ZINC001024707617 969268428 /nfs/dbraw/zinc/26/84/28/969268428.db2.gz PCWXVMDHMQYSOZ-QYZOEREBSA-N 1 2 361.461 2.673 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cncc(F)c1 ZINC001024707617 969268430 /nfs/dbraw/zinc/26/84/30/969268430.db2.gz PCWXVMDHMQYSOZ-QYZOEREBSA-N 1 2 361.461 2.673 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3noc(CC)n3)C2)CC1 ZINC001104630330 969974080 /nfs/dbraw/zinc/97/40/80/969974080.db2.gz VEYVILZSWPYGLC-NVXWUHKLSA-N 1 2 360.502 2.953 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC12CCN(c1cc[nH+]c(C)n1)CC2 ZINC001058651751 970332923 /nfs/dbraw/zinc/33/29/23/970332923.db2.gz BNQSVGNKLFALSM-SCTDSRPQSA-N 1 2 370.497 2.631 20 30 FFEDLO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@H+](Cc3ccon3)[C@@H]2CC)cc1 ZINC001087842187 970545820 /nfs/dbraw/zinc/54/58/20/970545820.db2.gz HWFVAIVIOOVYKN-VQTJNVASSA-N 1 2 369.465 2.951 20 30 FFEDLO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccon3)[C@@H]2CC)cc1 ZINC001087842187 970545825 /nfs/dbraw/zinc/54/58/25/970545825.db2.gz HWFVAIVIOOVYKN-VQTJNVASSA-N 1 2 369.465 2.951 20 30 FFEDLO COCc1ncc2c(n1)CC[N@@H+](Cc1cccc(OCCCC#N)c1)C2 ZINC000895415597 970598811 /nfs/dbraw/zinc/59/88/11/970598811.db2.gz PNULFALTFIHDLU-UHFFFAOYSA-N 1 2 352.438 2.864 20 30 FFEDLO COCc1ncc2c(n1)CC[N@H+](Cc1cccc(OCCCC#N)c1)C2 ZINC000895415597 970598814 /nfs/dbraw/zinc/59/88/14/970598814.db2.gz PNULFALTFIHDLU-UHFFFAOYSA-N 1 2 352.438 2.864 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C5CC5)o4)CC[C@@H]3C2)C1 ZINC001088097766 972764223 /nfs/dbraw/zinc/76/42/23/972764223.db2.gz JGDSVJZGKLLRIM-CVEARBPZSA-N 1 2 356.470 2.584 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C5CC5)o4)CC[C@@H]3C2)C1 ZINC001088097766 972764232 /nfs/dbraw/zinc/76/42/32/972764232.db2.gz JGDSVJZGKLLRIM-CVEARBPZSA-N 1 2 356.470 2.584 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC001027608667 975018560 /nfs/dbraw/zinc/01/85/60/975018560.db2.gz TZJASHPMGLRVTB-AOIWGVFYSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC001027608667 975018564 /nfs/dbraw/zinc/01/85/64/975018564.db2.gz TZJASHPMGLRVTB-AOIWGVFYSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1coc(C2CC2)n1 ZINC001027887922 975682040 /nfs/dbraw/zinc/68/20/40/975682040.db2.gz AIZZBEUMDUPELS-KURKYZTESA-N 1 2 359.470 2.614 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1coc(C2CC2)n1 ZINC001027887922 975682050 /nfs/dbraw/zinc/68/20/50/975682050.db2.gz AIZZBEUMDUPELS-KURKYZTESA-N 1 2 359.470 2.614 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cncs4)[C@@H]3C2)cc1F ZINC001075589912 975983588 /nfs/dbraw/zinc/98/35/88/975983588.db2.gz UEVWJMCAGTZQCX-GOEBONIOSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cncs4)[C@@H]3C2)cc1F ZINC001075589912 975983595 /nfs/dbraw/zinc/98/35/95/975983595.db2.gz UEVWJMCAGTZQCX-GOEBONIOSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(OCc2ccc(C(=O)N[C@@H]3CCC[N@@H+](CCF)C3)o2)cc1 ZINC000898492009 976496754 /nfs/dbraw/zinc/49/67/54/976496754.db2.gz QHUOJWWOAHFILS-MRXNPFEDSA-N 1 2 371.412 2.894 20 30 FFEDLO N#Cc1ccc(OCc2ccc(C(=O)N[C@@H]3CCC[N@H+](CCF)C3)o2)cc1 ZINC000898492009 976496760 /nfs/dbraw/zinc/49/67/60/976496760.db2.gz QHUOJWWOAHFILS-MRXNPFEDSA-N 1 2 371.412 2.894 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC2CC(OCC)C2)[C@H]1C ZINC001088810459 976632448 /nfs/dbraw/zinc/63/24/48/976632448.db2.gz FTPRNSSGNAWATR-URGYJCLVSA-N 1 2 359.308 2.679 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC2CC(OCC)C2)[C@H]1C ZINC001088810459 976632454 /nfs/dbraw/zinc/63/24/54/976632454.db2.gz FTPRNSSGNAWATR-URGYJCLVSA-N 1 2 359.308 2.679 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)c(F)c1 ZINC000981640163 976676927 /nfs/dbraw/zinc/67/69/27/976676927.db2.gz DHRMQNWTDCHKAC-CMKODMSKSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)c(F)c1 ZINC000981640163 976676930 /nfs/dbraw/zinc/67/69/30/976676930.db2.gz DHRMQNWTDCHKAC-CMKODMSKSA-N 1 2 371.456 2.547 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1nc(C)c(C)o1 ZINC001028188906 977068993 /nfs/dbraw/zinc/06/89/93/977068993.db2.gz MJUFUVOJXQGFMU-AOIWGVFYSA-N 1 2 361.486 2.743 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1nc(C)c(C)o1 ZINC001028188906 977069005 /nfs/dbraw/zinc/06/90/05/977069005.db2.gz MJUFUVOJXQGFMU-AOIWGVFYSA-N 1 2 361.486 2.743 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ocnc2C(F)F)C1 ZINC001087437396 977080695 /nfs/dbraw/zinc/08/06/95/977080695.db2.gz PTYXWPXZCUPHBB-HUUCEWRRSA-N 1 2 359.376 2.833 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ocnc2C(F)F)C1 ZINC001087437396 977080706 /nfs/dbraw/zinc/08/07/06/977080706.db2.gz PTYXWPXZCUPHBB-HUUCEWRRSA-N 1 2 359.376 2.833 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ncc(C(C)C)o1 ZINC001028195529 977096474 /nfs/dbraw/zinc/09/64/74/977096474.db2.gz PUFVRHFMXSMVNF-BXWFABGCSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncc(C(C)C)o1 ZINC001028195529 977096486 /nfs/dbraw/zinc/09/64/86/977096486.db2.gz PUFVRHFMXSMVNF-BXWFABGCSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001028197506 977112475 /nfs/dbraw/zinc/11/24/75/977112475.db2.gz JPZDGTMRJUHCLH-UFYCRDLUSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001028197506 977112478 /nfs/dbraw/zinc/11/24/78/977112478.db2.gz JPZDGTMRJUHCLH-UFYCRDLUSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4cc(C)ccc4O3)[C@@H]2C1 ZINC001076038560 977461046 /nfs/dbraw/zinc/46/10/46/977461046.db2.gz BNGKIEXVASEYEO-SCTDSRPQSA-N 1 2 360.885 2.974 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4cc(C)ccc4O3)[C@@H]2C1 ZINC001076038560 977461049 /nfs/dbraw/zinc/46/10/49/977461049.db2.gz BNGKIEXVASEYEO-SCTDSRPQSA-N 1 2 360.885 2.974 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2oc(CC)nc2C)C1 ZINC001087441071 977476305 /nfs/dbraw/zinc/47/63/05/977476305.db2.gz MNZZTSKVIXDIMG-QZTJIDSGSA-N 1 2 351.450 2.767 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2oc(CC)nc2C)C1 ZINC001087441071 977476307 /nfs/dbraw/zinc/47/63/07/977476307.db2.gz MNZZTSKVIXDIMG-QZTJIDSGSA-N 1 2 351.450 2.767 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc4oc(=O)oc4c3)CC2)c(F)c1 ZINC000893978869 977621494 /nfs/dbraw/zinc/62/14/94/977621494.db2.gz WHDKCMYFAXOWFG-UHFFFAOYSA-N 1 2 353.353 2.719 20 30 FFEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)NCCC#N ZINC000426416517 977973660 /nfs/dbraw/zinc/97/36/60/977973660.db2.gz JLAXZBLCBCKDER-UHFFFAOYSA-N 1 2 355.442 2.797 20 30 FFEDLO C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2snnc2C)C1 ZINC001087462274 978105972 /nfs/dbraw/zinc/10/59/72/978105972.db2.gz AAUTYGHVAQOARL-HZPDHXFCSA-N 1 2 360.458 2.760 20 30 FFEDLO C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2snnc2C)C1 ZINC001087462274 978105973 /nfs/dbraw/zinc/10/59/73/978105973.db2.gz AAUTYGHVAQOARL-HZPDHXFCSA-N 1 2 360.458 2.760 20 30 FFEDLO C#CCOc1ccccc1C[NH2+]Cc1c(C(=O)OC(C)(C)C)cnn1C ZINC000877046923 1014460128 /nfs/dbraw/zinc/46/01/28/1014460128.db2.gz UURASBPPNGYOEG-UHFFFAOYSA-N 1 2 355.438 2.677 20 30 FFEDLO CC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC001205983408 1032093102 /nfs/dbraw/zinc/09/31/02/1032093102.db2.gz IJAGFNTVISQFTH-DNVCBOLYSA-N 1 2 360.885 2.887 20 30 FFEDLO CC(=O)CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC001205983408 1032093119 /nfs/dbraw/zinc/09/31/19/1032093119.db2.gz IJAGFNTVISQFTH-DNVCBOLYSA-N 1 2 360.885 2.887 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)n3cnc4ccccc43)[C@@H]2C1 ZINC001076424761 979480419 /nfs/dbraw/zinc/48/04/19/979480419.db2.gz LTWFVARTQHUHPB-RVKKMQEKSA-N 1 2 358.873 2.883 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)n3cnc4ccccc43)[C@@H]2C1 ZINC001076424761 979480421 /nfs/dbraw/zinc/48/04/21/979480421.db2.gz LTWFVARTQHUHPB-RVKKMQEKSA-N 1 2 358.873 2.883 20 30 FFEDLO COc1ccsc1C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001076487108 979570978 /nfs/dbraw/zinc/57/09/78/979570978.db2.gz WAWJRPNGROMRSA-DLBZAZTESA-N 1 2 367.474 2.975 20 30 FFEDLO COc1ccsc1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001076487108 979570983 /nfs/dbraw/zinc/57/09/83/979570983.db2.gz WAWJRPNGROMRSA-DLBZAZTESA-N 1 2 367.474 2.975 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(OCC4CC4)nc3)[C@@H]2C1 ZINC001076602868 979705568 /nfs/dbraw/zinc/70/55/68/979705568.db2.gz FZDDHFKULFQVKB-DLBZAZTESA-N 1 2 361.873 2.769 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(OCC4CC4)nc3)[C@@H]2C1 ZINC001076602868 979705573 /nfs/dbraw/zinc/70/55/73/979705573.db2.gz FZDDHFKULFQVKB-DLBZAZTESA-N 1 2 361.873 2.769 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCOC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088491620 980045986 /nfs/dbraw/zinc/04/59/86/980045986.db2.gz KNRRDXHZJPLCBN-SUMDDJOVSA-N 1 2 360.885 2.697 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCOC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088491620 980045989 /nfs/dbraw/zinc/04/59/89/980045989.db2.gz KNRRDXHZJPLCBN-SUMDDJOVSA-N 1 2 360.885 2.697 20 30 FFEDLO CCc1ocnc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088499835 980088747 /nfs/dbraw/zinc/08/87/47/980088747.db2.gz WDDIQQFZADPBLI-WBMJQRKESA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1ocnc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088499835 980088758 /nfs/dbraw/zinc/08/87/58/980088758.db2.gz WDDIQQFZADPBLI-WBMJQRKESA-N 1 2 356.401 2.641 20 30 FFEDLO C=CCCC[C@@H]1NC(=O)N(c2cccc([C@H](C)[NH+]3CCOCC3)c2)C1=O ZINC000905450390 980437102 /nfs/dbraw/zinc/43/71/02/980437102.db2.gz MAYVYIMXOCZQJK-YJBOKZPZSA-N 1 2 357.454 2.861 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+](CC(=C)Br)C[C@H]21 ZINC001075885310 980478496 /nfs/dbraw/zinc/47/84/96/980478496.db2.gz QGTKLAWJZWCHQE-GOEBONIOSA-N 1 2 364.287 2.729 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+](CC(=C)Br)C[C@H]21 ZINC001075885310 980478499 /nfs/dbraw/zinc/47/84/99/980478499.db2.gz QGTKLAWJZWCHQE-GOEBONIOSA-N 1 2 364.287 2.729 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)c3cnc(C4CC4)o3)[C@@H]2C1 ZINC001075894064 980901853 /nfs/dbraw/zinc/90/18/53/980901853.db2.gz FONRHFXPAKZTJZ-ZWKOTPCHSA-N 1 2 362.433 2.770 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc(C4CC4)o3)[C@@H]2C1 ZINC001075894064 980901855 /nfs/dbraw/zinc/90/18/55/980901855.db2.gz FONRHFXPAKZTJZ-ZWKOTPCHSA-N 1 2 362.433 2.770 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C[C@H](C)C(C)C ZINC001212016092 981458587 /nfs/dbraw/zinc/45/85/87/981458587.db2.gz YMHGEVOEQMTXKK-GDIGMMSISA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C[C@H](C)C(C)C ZINC001212016092 981458589 /nfs/dbraw/zinc/45/85/89/981458589.db2.gz YMHGEVOEQMTXKK-GDIGMMSISA-N 1 2 361.461 2.695 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2Br)C[C@H]1OC ZINC001212024293 981460253 /nfs/dbraw/zinc/46/02/53/981460253.db2.gz QIDFXPUYSIUPOO-HZPDHXFCSA-N 1 2 367.287 2.731 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2Br)C[C@H]1OC ZINC001212024293 981460258 /nfs/dbraw/zinc/46/02/58/981460258.db2.gz QIDFXPUYSIUPOO-HZPDHXFCSA-N 1 2 367.287 2.731 20 30 FFEDLO C=CCN1CC[C@@]2(CCCN(C(=O)c3c[nH]c4cc[nH+]cc34)CC2)C1=O ZINC001272123291 981693262 /nfs/dbraw/zinc/69/32/62/981693262.db2.gz LSDCBUWXFZCNGD-FQEVSTJZSA-N 1 2 352.438 2.594 20 30 FFEDLO O=C(c1ccsn1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075928388 981839432 /nfs/dbraw/zinc/83/94/32/981839432.db2.gz VTRILYQGTLOHTO-MAUKXSAKSA-N 1 2 371.893 2.995 20 30 FFEDLO O=C(c1ccsn1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075928388 981839436 /nfs/dbraw/zinc/83/94/36/981839436.db2.gz VTRILYQGTLOHTO-MAUKXSAKSA-N 1 2 371.893 2.995 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C)n(C)n2)[C@@H]1C ZINC001088672168 982266696 /nfs/dbraw/zinc/26/66/96/982266696.db2.gz RGGPQKSRFPPHEL-APWZRJJASA-N 1 2 368.481 2.686 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)n(C)n2)[C@@H]1C ZINC001088672168 982266702 /nfs/dbraw/zinc/26/67/02/982266702.db2.gz RGGPQKSRFPPHEL-APWZRJJASA-N 1 2 368.481 2.686 20 30 FFEDLO CC(C)(C)c1cc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000842025671 982617029 /nfs/dbraw/zinc/61/70/29/982617029.db2.gz ZJZFMNQYXRDHBA-UHFFFAOYSA-N 1 2 372.469 2.641 20 30 FFEDLO COC1(CO[NH+]=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)CCC1 ZINC000842040994 982625707 /nfs/dbraw/zinc/62/57/07/982625707.db2.gz UCNBSCVVJSOZSL-UHFFFAOYSA-N 1 2 363.458 2.917 20 30 FFEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)C#Cc2ccccc2)c2ccc(Cl)cc2)C1 ZINC000126894594 1014857628 /nfs/dbraw/zinc/85/76/28/1014857628.db2.gz DJZGSRWKKZYJDP-TZIWHRDSSA-N 1 2 368.864 2.880 20 30 FFEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)C#Cc2ccccc2)c2ccc(Cl)cc2)C1 ZINC000126894594 1014857633 /nfs/dbraw/zinc/85/76/33/1014857633.db2.gz DJZGSRWKKZYJDP-TZIWHRDSSA-N 1 2 368.864 2.880 20 30 FFEDLO CC(C)c1n[nH]cc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088695289 982840651 /nfs/dbraw/zinc/84/06/51/982840651.db2.gz JZUFLNOGVKJTLS-ACJLOTCBSA-N 1 2 369.444 2.937 20 30 FFEDLO CC(C)c1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088695289 982840659 /nfs/dbraw/zinc/84/06/59/982840659.db2.gz JZUFLNOGVKJTLS-ACJLOTCBSA-N 1 2 369.444 2.937 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1)c1ccccc1 ZINC000878193326 1014907524 /nfs/dbraw/zinc/90/75/24/1014907524.db2.gz WULLPEUNPPGVJU-PXNSSMCTSA-N 1 2 351.454 2.733 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1)c1ccccc1 ZINC000878193326 1014907537 /nfs/dbraw/zinc/90/75/37/1014907537.db2.gz WULLPEUNPPGVJU-PXNSSMCTSA-N 1 2 351.454 2.733 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1)c1ccccc1 ZINC000878193327 1014907920 /nfs/dbraw/zinc/90/79/20/1014907920.db2.gz WULLPEUNPPGVJU-XLIONFOSSA-N 1 2 351.454 2.733 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1)c1ccccc1 ZINC000878193327 1014907936 /nfs/dbraw/zinc/90/79/36/1014907936.db2.gz WULLPEUNPPGVJU-XLIONFOSSA-N 1 2 351.454 2.733 20 30 FFEDLO C=C(C)C[C@H](CO)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000878300822 1014975483 /nfs/dbraw/zinc/97/54/83/1014975483.db2.gz OCSSLPNZZSQZPG-SOLBZPMBSA-N 1 2 361.486 2.744 20 30 FFEDLO C=C(C)C[C@H](CO)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000878300822 1014975489 /nfs/dbraw/zinc/97/54/89/1014975489.db2.gz OCSSLPNZZSQZPG-SOLBZPMBSA-N 1 2 361.486 2.744 20 30 FFEDLO C=CC(C)(C)C(=O)N1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000944402050 983876653 /nfs/dbraw/zinc/87/66/53/983876653.db2.gz HHNIKVJKKNXGJA-HZPDHXFCSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CC(C)(C)C(=O)N1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000944402050 983876661 /nfs/dbraw/zinc/87/66/61/983876661.db2.gz HHNIKVJKKNXGJA-HZPDHXFCSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CCCC1(CNC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CCCC1 ZINC000669021086 984115690 /nfs/dbraw/zinc/11/56/90/984115690.db2.gz QZVRWJUWFXPICH-UHFFFAOYSA-N 1 2 354.454 2.593 20 30 FFEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000878387898 1015021333 /nfs/dbraw/zinc/02/13/33/1015021333.db2.gz FWSUYLRLSXKGRN-WBVHZDCISA-N 1 2 374.485 2.836 20 30 FFEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000878387898 1015021343 /nfs/dbraw/zinc/02/13/43/1015021343.db2.gz FWSUYLRLSXKGRN-WBVHZDCISA-N 1 2 374.485 2.836 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3sccc3Cl)C[C@H]2O)CC1 ZINC001077621389 984703430 /nfs/dbraw/zinc/70/34/30/984703430.db2.gz GSRQRDOHTMBJQG-HUUCEWRRSA-N 1 2 354.903 2.809 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3sccc3Cl)C[C@H]2O)CC1 ZINC001077621389 984703440 /nfs/dbraw/zinc/70/34/40/984703440.db2.gz GSRQRDOHTMBJQG-HUUCEWRRSA-N 1 2 354.903 2.809 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(Cl)n3)[C@@H]2C)c1 ZINC001088846213 984976055 /nfs/dbraw/zinc/97/60/55/984976055.db2.gz AZWHCIJSXJGHHO-DYVFJYSZSA-N 1 2 354.841 2.504 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(Cl)n3)[C@@H]2C)c1 ZINC001088846213 984976061 /nfs/dbraw/zinc/97/60/61/984976061.db2.gz AZWHCIJSXJGHHO-DYVFJYSZSA-N 1 2 354.841 2.504 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ocnc2C(F)F)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088863322 985107203 /nfs/dbraw/zinc/10/72/03/985107203.db2.gz XNVGXGXRSNVWLB-HIFRSBDPSA-N 1 2 359.376 2.857 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ocnc2C(F)F)CC[N@H+]1CC#Cc1ccccc1 ZINC001088863322 985107204 /nfs/dbraw/zinc/10/72/04/985107204.db2.gz XNVGXGXRSNVWLB-HIFRSBDPSA-N 1 2 359.376 2.857 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@H]1OC ZINC001212187212 985123044 /nfs/dbraw/zinc/12/30/44/985123044.db2.gz LJLKIFJEKCGIAQ-IAGOWNOFSA-N 1 2 368.399 2.824 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@H]1OC ZINC001212187212 985123049 /nfs/dbraw/zinc/12/30/49/985123049.db2.gz LJLKIFJEKCGIAQ-IAGOWNOFSA-N 1 2 368.399 2.824 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncoc2C2CC2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088960066 985625383 /nfs/dbraw/zinc/62/53/83/985625383.db2.gz MIYPSLVGCFDFEA-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncoc2C2CC2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088960066 985625387 /nfs/dbraw/zinc/62/53/87/985625387.db2.gz MIYPSLVGCFDFEA-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)c1 ZINC000172756213 985659838 /nfs/dbraw/zinc/65/98/38/985659838.db2.gz LTJLPOIHTQRIMN-IBGZPJMESA-N 1 2 363.417 2.564 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)c1 ZINC000172756213 985659849 /nfs/dbraw/zinc/65/98/49/985659849.db2.gz LTJLPOIHTQRIMN-IBGZPJMESA-N 1 2 363.417 2.564 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccnc(Cl)c3)[C@@H]2C)nc1 ZINC001088988178 985778302 /nfs/dbraw/zinc/77/83/02/985778302.db2.gz IRHAZHMRVOOHIX-CJNGLKHVSA-N 1 2 354.841 2.504 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccnc(Cl)c3)[C@@H]2C)nc1 ZINC001088988178 985778307 /nfs/dbraw/zinc/77/83/07/985778307.db2.gz IRHAZHMRVOOHIX-CJNGLKHVSA-N 1 2 354.841 2.504 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncoc3C(C)C)[C@@H]2C)nc1 ZINC001088990719 985788529 /nfs/dbraw/zinc/78/85/29/985788529.db2.gz MLVZOVPHODERSA-ZBFHGGJFSA-N 1 2 352.438 2.567 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncoc3C(C)C)[C@@H]2C)nc1 ZINC001088990719 985788536 /nfs/dbraw/zinc/78/85/36/985788536.db2.gz MLVZOVPHODERSA-ZBFHGGJFSA-N 1 2 352.438 2.567 20 30 FFEDLO N#Cc1ccc(F)c(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000888374729 985801768 /nfs/dbraw/zinc/80/17/68/985801768.db2.gz ACINNCURQNTIIY-UHFFFAOYSA-N 1 2 371.441 2.967 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001007370020 1015204897 /nfs/dbraw/zinc/20/48/97/1015204897.db2.gz XMYRJTDTVCJZOR-QHAWAJNXSA-N 1 2 360.461 2.838 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001007370020 1015204906 /nfs/dbraw/zinc/20/49/06/1015204906.db2.gz XMYRJTDTVCJZOR-QHAWAJNXSA-N 1 2 360.461 2.838 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000878774775 1015211270 /nfs/dbraw/zinc/21/12/70/1015211270.db2.gz VBUQLLYSAPIHKJ-KSZLIROESA-N 1 2 369.513 2.532 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000878774775 1015211276 /nfs/dbraw/zinc/21/12/76/1015211276.db2.gz VBUQLLYSAPIHKJ-KSZLIROESA-N 1 2 369.513 2.532 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001061010621 987207975 /nfs/dbraw/zinc/20/79/75/987207975.db2.gz OOGNQOMRNINORX-IEZWGBDMSA-N 1 2 370.497 2.904 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000152873277 987477680 /nfs/dbraw/zinc/47/76/80/987477680.db2.gz UENSCANICONCBL-UHFFFAOYSA-N 1 2 354.458 2.754 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H](C)C(C)(C)C ZINC001212469847 987523850 /nfs/dbraw/zinc/52/38/50/987523850.db2.gz NXMWISMYXFNKNM-FSPWUOQZSA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H](C)C(C)(C)C ZINC001212469847 987523855 /nfs/dbraw/zinc/52/38/55/987523855.db2.gz NXMWISMYXFNKNM-FSPWUOQZSA-N 1 2 361.461 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](Cc2cccc(OC)c2C)C1 ZINC001031077526 987579429 /nfs/dbraw/zinc/57/94/29/987579429.db2.gz YIDNBUZUVQNGNT-ICSRJNTNSA-N 1 2 358.482 2.675 20 30 FFEDLO C=CCn1c(=S)n(C[N@H+](C[C@H]2CCOC2)C2CC2)nc1-c1cnccn1 ZINC000153021027 987587810 /nfs/dbraw/zinc/58/78/10/987587810.db2.gz KVFVSNPNDCKYJI-CQSZACIVSA-N 1 2 372.498 2.515 20 30 FFEDLO C=CCn1c(=S)n(C[N@@H+](C[C@H]2CCOC2)C2CC2)nc1-c1cnccn1 ZINC000153021027 987587821 /nfs/dbraw/zinc/58/78/21/987587821.db2.gz KVFVSNPNDCKYJI-CQSZACIVSA-N 1 2 372.498 2.515 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106608122 988485508 /nfs/dbraw/zinc/48/55/08/988485508.db2.gz HCCPOWCDWIALOU-OWQGQXMQSA-N 1 2 358.486 2.950 20 30 FFEDLO CCCOCc1ccccc1CNC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000762666876 988568130 /nfs/dbraw/zinc/56/81/30/988568130.db2.gz YLCSSQZIYDJMCN-UHFFFAOYSA-N 1 2 373.428 2.706 20 30 FFEDLO CCCOc1cccc(CNC(=O)CO[NH+]=C(N)c2ccc(F)cc2)c1 ZINC000762664315 988571631 /nfs/dbraw/zinc/57/16/31/988571631.db2.gz JZBCCKIIXKOAIX-UHFFFAOYSA-N 1 2 359.401 2.568 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000766041262 989364098 /nfs/dbraw/zinc/36/40/98/989364098.db2.gz VATAMQMGGOUIAO-OALUTQOASA-N 1 2 369.852 2.518 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000766041262 989364108 /nfs/dbraw/zinc/36/41/08/989364108.db2.gz VATAMQMGGOUIAO-OALUTQOASA-N 1 2 369.852 2.518 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC001033497990 989626763 /nfs/dbraw/zinc/62/67/63/989626763.db2.gz QPIIJJIHUYPQKF-AOIWGVFYSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001033497990 989626766 /nfs/dbraw/zinc/62/67/66/989626766.db2.gz QPIIJJIHUYPQKF-AOIWGVFYSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001033955376 989854306 /nfs/dbraw/zinc/85/43/06/989854306.db2.gz ZWGQWDKYDXVZEF-KHYOSLBOSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001033955376 989854321 /nfs/dbraw/zinc/85/43/21/989854321.db2.gz ZWGQWDKYDXVZEF-KHYOSLBOSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001034408418 990050920 /nfs/dbraw/zinc/05/09/20/990050920.db2.gz JWNUYWHHHLLJEU-QRQLOZEOSA-N 1 2 360.502 2.526 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001034408418 990050925 /nfs/dbraw/zinc/05/09/25/990050925.db2.gz JWNUYWHHHLLJEU-QRQLOZEOSA-N 1 2 360.502 2.526 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2ncc(CC)o2)cc1 ZINC001034829779 990294876 /nfs/dbraw/zinc/29/48/76/990294876.db2.gz WIBIJTGYHBJAOB-MOPGFXCFSA-N 1 2 369.465 2.734 20 30 FFEDLO C=C(C)CCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001078993458 990492159 /nfs/dbraw/zinc/49/21/59/990492159.db2.gz SPWXSVJZYOVOBJ-BRWVUGGUSA-N 1 2 358.486 2.709 20 30 FFEDLO C=C(C)CCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001078993458 990492166 /nfs/dbraw/zinc/49/21/66/990492166.db2.gz SPWXSVJZYOVOBJ-BRWVUGGUSA-N 1 2 358.486 2.709 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CCc3c(F)cccc3Cl)C[C@@H]2O)C1 ZINC001083758659 990596797 /nfs/dbraw/zinc/59/67/97/990596797.db2.gz MUFXJZQDDRBBKA-SJORKVTESA-N 1 2 366.864 2.539 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CCc3c(F)cccc3Cl)C[C@@H]2O)C1 ZINC001083758659 990596799 /nfs/dbraw/zinc/59/67/99/990596799.db2.gz MUFXJZQDDRBBKA-SJORKVTESA-N 1 2 366.864 2.539 20 30 FFEDLO C[NH+](C)Cc1csc(CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)n1 ZINC000922923129 990741448 /nfs/dbraw/zinc/74/14/48/990741448.db2.gz ADUHUWKFAZMVTL-QGZVFWFLSA-N 1 2 369.494 2.953 20 30 FFEDLO CO[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212248510 990818553 /nfs/dbraw/zinc/81/85/53/990818553.db2.gz HCCKPSNGKGIYCM-FSPWUOQZSA-N 1 2 364.436 2.891 20 30 FFEDLO CO[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212248510 990818561 /nfs/dbraw/zinc/81/85/61/990818561.db2.gz HCCKPSNGKGIYCM-FSPWUOQZSA-N 1 2 364.436 2.891 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001063602744 991521571 /nfs/dbraw/zinc/52/15/71/991521571.db2.gz SMMOIEPWHBHZIB-HKUYNNGSSA-N 1 2 370.497 2.585 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)CC2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129308072 991534129 /nfs/dbraw/zinc/53/41/29/991534129.db2.gz ZZWJQYNIXCUMGM-AQNXPRMDSA-N 1 2 371.529 2.640 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)CC2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129308072 991534141 /nfs/dbraw/zinc/53/41/41/991534141.db2.gz ZZWJQYNIXCUMGM-AQNXPRMDSA-N 1 2 371.529 2.640 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001484446838 991600101 /nfs/dbraw/zinc/60/01/01/991600101.db2.gz KWEGAXWYRXAOKX-NLWGTHIKSA-N 1 2 362.901 2.794 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001484446838 991600108 /nfs/dbraw/zinc/60/01/08/991600108.db2.gz KWEGAXWYRXAOKX-NLWGTHIKSA-N 1 2 362.901 2.794 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079539332 992190214 /nfs/dbraw/zinc/19/02/14/992190214.db2.gz DSWAYUVFUPIHAU-IUODEOHRSA-N 1 2 371.510 2.891 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079539332 992190219 /nfs/dbraw/zinc/19/02/19/992190219.db2.gz DSWAYUVFUPIHAU-IUODEOHRSA-N 1 2 371.510 2.891 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)Cc1cccnc1 ZINC001079576308 992218660 /nfs/dbraw/zinc/21/86/60/992218660.db2.gz MWPLNXOUKSLXPL-OXQOHEQNSA-N 1 2 367.880 2.766 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)Cc1cccnc1 ZINC001079576308 992218671 /nfs/dbraw/zinc/21/86/71/992218671.db2.gz MWPLNXOUKSLXPL-OXQOHEQNSA-N 1 2 367.880 2.766 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2Cl)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588771 992230342 /nfs/dbraw/zinc/23/03/42/992230342.db2.gz MMRPUHNINMJGOG-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2Cl)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588771 992230348 /nfs/dbraw/zinc/23/03/48/992230348.db2.gz MMRPUHNINMJGOG-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001079817177 992447271 /nfs/dbraw/zinc/44/72/71/992447271.db2.gz LAHAOTMLFKZOSM-ADEWGFFLSA-N 1 2 351.235 2.767 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001079817177 992447275 /nfs/dbraw/zinc/44/72/75/992447275.db2.gz LAHAOTMLFKZOSM-ADEWGFFLSA-N 1 2 351.235 2.767 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cc(C(F)F)ncn1 ZINC001079957084 992594341 /nfs/dbraw/zinc/59/43/41/992594341.db2.gz LCRBJKZNKIHOGZ-SJKOYZFVSA-N 1 2 371.391 2.536 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cc(C(F)F)ncn1 ZINC001079957084 992594350 /nfs/dbraw/zinc/59/43/50/992594350.db2.gz LCRBJKZNKIHOGZ-SJKOYZFVSA-N 1 2 371.391 2.536 20 30 FFEDLO CC(=O)Nc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000880029936 1015737463 /nfs/dbraw/zinc/73/74/63/1015737463.db2.gz CFLNSTIBCIBEQC-AWEZNQCLSA-N 1 2 362.433 2.902 20 30 FFEDLO CC(=O)Nc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000880029936 1015737468 /nfs/dbraw/zinc/73/74/68/1015737468.db2.gz CFLNSTIBCIBEQC-AWEZNQCLSA-N 1 2 362.433 2.902 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCO[C@H](C(F)(F)F)CC3)C2=O)cc1 ZINC000880053482 1015744147 /nfs/dbraw/zinc/74/41/47/1015744147.db2.gz NMWOLNCQQRDWBB-HOTGVXAUSA-N 1 2 367.371 2.707 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCO[C@H](C(F)(F)F)CC3)C2=O)cc1 ZINC000880053482 1015744149 /nfs/dbraw/zinc/74/41/49/1015744149.db2.gz NMWOLNCQQRDWBB-HOTGVXAUSA-N 1 2 367.371 2.707 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1ocnc1C1CC1 ZINC001080438338 993056075 /nfs/dbraw/zinc/05/60/75/993056075.db2.gz ROEFINWDYSECQY-SJKOYZFVSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1ocnc1C1CC1 ZINC001080438338 993056081 /nfs/dbraw/zinc/05/60/81/993056081.db2.gz ROEFINWDYSECQY-SJKOYZFVSA-N 1 2 368.412 2.813 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2c(C)noc2C)C1 ZINC001080614512 993208118 /nfs/dbraw/zinc/20/81/18/993208118.db2.gz TYPUIRYHNXEOIG-GLXFQSAKSA-N 1 2 370.291 2.740 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2c(C)noc2C)C1 ZINC001080614512 993208127 /nfs/dbraw/zinc/20/81/27/993208127.db2.gz TYPUIRYHNXEOIG-GLXFQSAKSA-N 1 2 370.291 2.740 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC001080877497 993447590 /nfs/dbraw/zinc/44/75/90/993447590.db2.gz YQKMJFYBNUAVSW-IAQYHMDHSA-N 1 2 355.251 2.713 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC001080877497 993447593 /nfs/dbraw/zinc/44/75/93/993447593.db2.gz YQKMJFYBNUAVSW-IAQYHMDHSA-N 1 2 355.251 2.713 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)nc2C)C1 ZINC001080987338 993540249 /nfs/dbraw/zinc/54/02/49/993540249.db2.gz XHBJGCRHCVDJTR-MEBBXXQBSA-N 1 2 352.276 2.657 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)nc2C)C1 ZINC001080987338 993540251 /nfs/dbraw/zinc/54/02/51/993540251.db2.gz XHBJGCRHCVDJTR-MEBBXXQBSA-N 1 2 352.276 2.657 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)CC1CCCC1 ZINC001081306212 993793237 /nfs/dbraw/zinc/79/32/37/993793237.db2.gz AHVRKDZYBYZSLN-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)CC1CCCC1 ZINC001081306212 993793242 /nfs/dbraw/zinc/79/32/42/993793242.db2.gz AHVRKDZYBYZSLN-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C=C1CCCCC1 ZINC001081418009 993827575 /nfs/dbraw/zinc/82/75/75/993827575.db2.gz BSFXCPOOXQNBQI-NHCUHLMSSA-N 1 2 370.468 2.883 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C=C1CCCCC1 ZINC001081418009 993827584 /nfs/dbraw/zinc/82/75/84/993827584.db2.gz BSFXCPOOXQNBQI-NHCUHLMSSA-N 1 2 370.468 2.883 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC=CCCC1 ZINC001081845464 994014335 /nfs/dbraw/zinc/01/43/35/994014335.db2.gz GZIJBZZHWKOYKS-YPAWHYETSA-N 1 2 366.505 2.990 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC=CCCC1 ZINC001081845464 994014346 /nfs/dbraw/zinc/01/43/46/994014346.db2.gz GZIJBZZHWKOYKS-YPAWHYETSA-N 1 2 366.505 2.990 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]2OC)cc1 ZINC001082012849 994109767 /nfs/dbraw/zinc/10/97/67/994109767.db2.gz MMQJCLMCINGYGW-WOJBJXKFSA-N 1 2 370.399 2.575 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@H]2OC)cc1 ZINC001082012849 994109769 /nfs/dbraw/zinc/10/97/69/994109769.db2.gz MMQJCLMCINGYGW-WOJBJXKFSA-N 1 2 370.399 2.575 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1c(C)cccc1C ZINC001082164017 994238049 /nfs/dbraw/zinc/23/80/49/994238049.db2.gz QXVFRPLCLZZMFY-WOJBJXKFSA-N 1 2 363.461 2.804 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1c(C)cccc1C ZINC001082164017 994238061 /nfs/dbraw/zinc/23/80/61/994238061.db2.gz QXVFRPLCLZZMFY-WOJBJXKFSA-N 1 2 363.461 2.804 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1CC12CCCC2 ZINC001082302392 994348946 /nfs/dbraw/zinc/34/89/46/994348946.db2.gz KPKCHMRYLYNBSL-BHIYHBOVSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1CC12CCCC2 ZINC001082302392 994348955 /nfs/dbraw/zinc/34/89/55/994348955.db2.gz KPKCHMRYLYNBSL-BHIYHBOVSA-N 1 2 371.456 2.593 20 30 FFEDLO N#CC1(OCCOC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000809083786 994384052 /nfs/dbraw/zinc/38/40/52/994384052.db2.gz NMESPPQAVNNUQG-IBGZPJMESA-N 1 2 372.465 2.674 20 30 FFEDLO N#CC1(OCCOC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000809083786 994384059 /nfs/dbraw/zinc/38/40/59/994384059.db2.gz NMESPPQAVNNUQG-IBGZPJMESA-N 1 2 372.465 2.674 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H]2COc3ccccc32)CC1=O ZINC000809144556 994424083 /nfs/dbraw/zinc/42/40/83/994424083.db2.gz DDABLSNHKLQDTI-CQSZACIVSA-N 1 2 374.444 2.822 20 30 FFEDLO C#Cc1ccccc1CC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000809970164 994648230 /nfs/dbraw/zinc/64/82/30/994648230.db2.gz PKKFGXCIIIZTEQ-UHFFFAOYSA-N 1 2 362.473 2.872 20 30 FFEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082524243 994821484 /nfs/dbraw/zinc/82/14/84/994821484.db2.gz MYLAGEMRQCRIGA-FZQKWOKYSA-N 1 2 361.314 2.534 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082524243 994821492 /nfs/dbraw/zinc/82/14/92/994821492.db2.gz MYLAGEMRQCRIGA-FZQKWOKYSA-N 1 2 361.314 2.534 20 30 FFEDLO COc1ccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1C#N ZINC000810669848 994871118 /nfs/dbraw/zinc/87/11/18/994871118.db2.gz OVWDHKDDBYJKHZ-UHFFFAOYSA-N 1 2 360.417 2.671 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C(C)(C)C)o3)C2)cc1 ZINC001082678517 995254723 /nfs/dbraw/zinc/25/47/23/995254723.db2.gz BTQKKZMUVQRODP-RHSMWYFYSA-N 1 2 366.465 2.599 20 30 FFEDLO Cc1ccccc1C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001082985859 995975494 /nfs/dbraw/zinc/97/54/94/995975494.db2.gz XOLQAQTVWJUSNF-FCHUYYIVSA-N 1 2 360.457 2.572 20 30 FFEDLO Cc1ccccc1C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001082985859 995975500 /nfs/dbraw/zinc/97/55/00/995975500.db2.gz XOLQAQTVWJUSNF-FCHUYYIVSA-N 1 2 360.457 2.572 20 30 FFEDLO C[C@@H](c1cccc(Cl)c1)[N@@H+]1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC001083075545 996029898 /nfs/dbraw/zinc/02/98/98/996029898.db2.gz ZRIQTGPOLZVUQR-ZOCIIQOWSA-N 1 2 358.869 2.726 20 30 FFEDLO C[C@@H](c1cccc(Cl)c1)[N@H+]1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC001083075545 996029904 /nfs/dbraw/zinc/02/99/04/996029904.db2.gz ZRIQTGPOLZVUQR-ZOCIIQOWSA-N 1 2 358.869 2.726 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)C[C@@H]4C=CCCC4)[C@H]3C2)s1 ZINC001083117769 996065652 /nfs/dbraw/zinc/06/56/52/996065652.db2.gz FZVJRUCJZBMYPH-AYOQOUSVSA-N 1 2 371.506 2.778 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C[C@@H]4C=CCCC4)[C@H]3C2)s1 ZINC001083117769 996065657 /nfs/dbraw/zinc/06/56/57/996065657.db2.gz FZVJRUCJZBMYPH-AYOQOUSVSA-N 1 2 371.506 2.778 20 30 FFEDLO O=C(c1ccccn1)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084150941 996280241 /nfs/dbraw/zinc/28/02/41/996280241.db2.gz NVDVYGNWVWIBEA-YLJYHZDGSA-N 1 2 365.864 2.933 20 30 FFEDLO O=C(c1ccccn1)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084150941 996280243 /nfs/dbraw/zinc/28/02/43/996280243.db2.gz NVDVYGNWVWIBEA-YLJYHZDGSA-N 1 2 365.864 2.933 20 30 FFEDLO Cc1ncc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)s1 ZINC001084223884 996371684 /nfs/dbraw/zinc/37/16/84/996371684.db2.gz JRFHJRWDGMKOLX-RHSMWYFYSA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1ncc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)s1 ZINC001084223884 996371691 /nfs/dbraw/zinc/37/16/91/996371691.db2.gz JRFHJRWDGMKOLX-RHSMWYFYSA-N 1 2 370.453 2.809 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccnc(F)c4)[C@@H]3C2)c1 ZINC001084224744 996372918 /nfs/dbraw/zinc/37/29/18/996372918.db2.gz LSVKCYZBEPYSQE-CRAIPNDOSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccnc(F)c4)[C@@H]3C2)c1 ZINC001084224744 996372924 /nfs/dbraw/zinc/37/29/24/996372924.db2.gz LSVKCYZBEPYSQE-CRAIPNDOSA-N 1 2 368.387 2.578 20 30 FFEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3sccc3Br)C[C@H]21 ZINC001084233132 996384140 /nfs/dbraw/zinc/38/41/40/996384140.db2.gz UVRWMALNBONEJT-NQBHXWOUSA-N 1 2 368.300 2.703 20 30 FFEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3sccc3Br)C[C@H]21 ZINC001084233132 996384145 /nfs/dbraw/zinc/38/41/45/996384145.db2.gz UVRWMALNBONEJT-NQBHXWOUSA-N 1 2 368.300 2.703 20 30 FFEDLO Cc1ccn(C)c1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084304178 996435461 /nfs/dbraw/zinc/43/54/61/996435461.db2.gz AONOJIIUYFOFET-IEBWSBKVSA-N 1 2 366.440 2.691 20 30 FFEDLO Cc1ccn(C)c1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084304178 996435463 /nfs/dbraw/zinc/43/54/63/996435463.db2.gz AONOJIIUYFOFET-IEBWSBKVSA-N 1 2 366.440 2.691 20 30 FFEDLO O=C(C#CC1CC1)N1C[C@H]2CC[N@H+](Cc3nsc4ccccc43)C[C@H]21 ZINC001084333869 996463108 /nfs/dbraw/zinc/46/31/08/996463108.db2.gz DPYRYYKYSKSTPM-CRAIPNDOSA-N 1 2 351.475 2.742 20 30 FFEDLO O=C(C#CC1CC1)N1C[C@H]2CC[N@@H+](Cc3nsc4ccccc43)C[C@H]21 ZINC001084333869 996463113 /nfs/dbraw/zinc/46/31/13/996463113.db2.gz DPYRYYKYSKSTPM-CRAIPNDOSA-N 1 2 351.475 2.742 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)COc3cc(C)ccc3F)[C@@H]2C1 ZINC001084344956 996472363 /nfs/dbraw/zinc/47/23/63/996472363.db2.gz NROSKDHFFVVCFD-GDBMZVCRSA-N 1 2 352.837 2.798 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)COc3cc(C)ccc3F)[C@@H]2C1 ZINC001084344956 996472365 /nfs/dbraw/zinc/47/23/65/996472365.db2.gz NROSKDHFFVVCFD-GDBMZVCRSA-N 1 2 352.837 2.798 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@]45C[C@H]4CCC5)[C@@H]3C2)c1 ZINC001084533887 996655121 /nfs/dbraw/zinc/65/51/21/996655121.db2.gz DXLUGBXDNGOEJC-STQYRHOTSA-N 1 2 353.441 2.920 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@]45C[C@H]4CCC5)[C@@H]3C2)c1 ZINC001084533887 996655123 /nfs/dbraw/zinc/65/51/23/996655123.db2.gz DXLUGBXDNGOEJC-STQYRHOTSA-N 1 2 353.441 2.920 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3nnc(-c4ccccc4)o3)C[C@H]21 ZINC001084574614 996703208 /nfs/dbraw/zinc/70/32/08/996703208.db2.gz FOSWZTNFEDVPFC-IAGOWNOFSA-N 1 2 366.465 2.982 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3nnc(-c4ccccc4)o3)C[C@H]21 ZINC001084574614 996703209 /nfs/dbraw/zinc/70/32/09/996703209.db2.gz FOSWZTNFEDVPFC-IAGOWNOFSA-N 1 2 366.465 2.982 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)cs1 ZINC001084605530 996707434 /nfs/dbraw/zinc/70/74/34/996707434.db2.gz UKMQTDJUMLXYRA-IEBWSBKVSA-N 1 2 351.475 2.650 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)cs1 ZINC001084605530 996707438 /nfs/dbraw/zinc/70/74/38/996707438.db2.gz UKMQTDJUMLXYRA-IEBWSBKVSA-N 1 2 351.475 2.650 20 30 FFEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)cc4F)C[C@H]32)c1 ZINC001084647252 996765797 /nfs/dbraw/zinc/76/57/97/996765797.db2.gz OECPUIXSVKMOCC-OXQOHEQNSA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)cc4F)C[C@H]32)c1 ZINC001084647252 996765800 /nfs/dbraw/zinc/76/58/00/996765800.db2.gz OECPUIXSVKMOCC-OXQOHEQNSA-N 1 2 367.399 2.688 20 30 FFEDLO CCOC(=O)c1c(C[NH+]2CCC(Oc3ccccc3C#N)CC2)cnn1C ZINC001136909886 997038306 /nfs/dbraw/zinc/03/83/06/997038306.db2.gz GSPZBTYFZQQKND-UHFFFAOYSA-N 1 2 368.437 2.512 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 ZINC000730275417 997053902 /nfs/dbraw/zinc/05/39/02/997053902.db2.gz DZSDTVITLHZWSJ-KRWDZBQOSA-N 1 2 366.490 2.742 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 ZINC000730275417 997053915 /nfs/dbraw/zinc/05/39/15/997053915.db2.gz DZSDTVITLHZWSJ-KRWDZBQOSA-N 1 2 366.490 2.742 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(OC)cc3F)[C@@H]2C1 ZINC001084751588 997196850 /nfs/dbraw/zinc/19/68/50/997196850.db2.gz RSORPCMJKPBROC-RHSMWYFYSA-N 1 2 352.837 2.662 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(OC)cc3F)[C@@H]2C1 ZINC001084751588 997196861 /nfs/dbraw/zinc/19/68/61/997196861.db2.gz RSORPCMJKPBROC-RHSMWYFYSA-N 1 2 352.837 2.662 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4nccn4c3)[C@@H]2C1 ZINC001084768249 997274323 /nfs/dbraw/zinc/27/43/23/997274323.db2.gz AXJHQGDBSVMGNL-UYAOXDASSA-N 1 2 371.444 2.552 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4nccn4c3)[C@@H]2C1 ZINC001084768249 997274334 /nfs/dbraw/zinc/27/43/34/997274334.db2.gz AXJHQGDBSVMGNL-UYAOXDASSA-N 1 2 371.444 2.552 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(NC(C)=O)c3C)[C@@H]2C1 ZINC001084775898 997286107 /nfs/dbraw/zinc/28/61/07/997286107.db2.gz YPWRUOOETKBLLB-CRAIPNDOSA-N 1 2 361.873 2.852 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(NC(C)=O)c3C)[C@@H]2C1 ZINC001084775898 997286117 /nfs/dbraw/zinc/28/61/17/997286117.db2.gz YPWRUOOETKBLLB-CRAIPNDOSA-N 1 2 361.873 2.852 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cn4ccccc4n3)[C@@H]2C1 ZINC001084812265 997497110 /nfs/dbraw/zinc/49/71/10/997497110.db2.gz WPPRANSLZHATMG-UYAOXDASSA-N 1 2 371.444 2.552 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn4ccccc4n3)[C@@H]2C1 ZINC001084812265 997497117 /nfs/dbraw/zinc/49/71/17/997497117.db2.gz WPPRANSLZHATMG-UYAOXDASSA-N 1 2 371.444 2.552 20 30 FFEDLO CCOC(=O)CC[NH+](CCC(=O)OCC)Cc1c(Cl)cccc1C#N ZINC001143731989 997610621 /nfs/dbraw/zinc/61/06/21/997610621.db2.gz KXYACFPPZMADFB-UHFFFAOYSA-N 1 2 366.845 2.920 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1OC ZINC001090940262 997888357 /nfs/dbraw/zinc/88/83/57/997888357.db2.gz ACJGKZKBQHOJQS-JXXFODFXSA-N 1 2 360.502 2.831 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H](Nc2[nH+]c(C)nc(-n3cccn3)c2C)C1 ZINC001091004405 998129108 /nfs/dbraw/zinc/12/91/08/998129108.db2.gz LLLRXXOPEXGVDN-RHSMWYFYSA-N 1 2 368.485 2.894 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C[C@@H]21 ZINC001084945785 998263706 /nfs/dbraw/zinc/26/37/06/998263706.db2.gz SDFFECUJCLHGLC-UHOFOFEASA-N 1 2 369.362 2.881 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C[C@@H]21 ZINC001084945785 998263711 /nfs/dbraw/zinc/26/37/11/998263711.db2.gz SDFFECUJCLHGLC-UHOFOFEASA-N 1 2 369.362 2.881 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001056799929 1016193340 /nfs/dbraw/zinc/19/33/40/1016193340.db2.gz AVLYXWGPJUGJQM-SUMDDJOVSA-N 1 2 370.497 2.658 20 30 FFEDLO C=C(C)CCC(=O)N1CCO[C@@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@@H]21 ZINC001091053733 998357434 /nfs/dbraw/zinc/35/74/34/998357434.db2.gz XHMPPYWRUFLUBP-DLBZAZTESA-N 1 2 358.486 2.681 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000732050241 998447166 /nfs/dbraw/zinc/44/71/66/998447166.db2.gz OVMIQFVHKCROOX-SFHVURJKSA-N 1 2 363.465 2.708 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000732050241 998447167 /nfs/dbraw/zinc/44/71/67/998447167.db2.gz OVMIQFVHKCROOX-SFHVURJKSA-N 1 2 363.465 2.708 20 30 FFEDLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000845279617 998462934 /nfs/dbraw/zinc/46/29/34/998462934.db2.gz DILKNQBNXJQLEK-LSDHHAIUSA-N 1 2 372.400 2.852 20 30 FFEDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000732207844 998533736 /nfs/dbraw/zinc/53/37/36/998533736.db2.gz OAYIVYSIVRUSHC-INIZCTEOSA-N 1 2 374.485 2.778 20 30 FFEDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000732207844 998533749 /nfs/dbraw/zinc/53/37/49/998533749.db2.gz OAYIVYSIVRUSHC-INIZCTEOSA-N 1 2 374.485 2.778 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ncoc3[C@@H]3CCCO3)C[C@@H]21 ZINC001085004840 998651327 /nfs/dbraw/zinc/65/13/27/998651327.db2.gz NGSIYDIDOCVGCF-ILXRZTDVSA-N 1 2 365.861 2.815 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ncoc3[C@@H]3CCCO3)C[C@@H]21 ZINC001085004840 998651331 /nfs/dbraw/zinc/65/13/31/998651331.db2.gz NGSIYDIDOCVGCF-ILXRZTDVSA-N 1 2 365.861 2.815 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3CCC)[C@H]2C1 ZINC001085006224 998659422 /nfs/dbraw/zinc/65/94/22/998659422.db2.gz GFMQBGNSDFPGEW-SJORKVTESA-N 1 2 359.518 2.632 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3CCC)[C@H]2C1 ZINC001085006224 998659426 /nfs/dbraw/zinc/65/94/26/998659426.db2.gz GFMQBGNSDFPGEW-SJORKVTESA-N 1 2 359.518 2.632 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001085024041 998701144 /nfs/dbraw/zinc/70/11/44/998701144.db2.gz QCCKRZMAEQWWDQ-FUHIMQAGSA-N 1 2 359.518 2.884 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001085024041 998701148 /nfs/dbraw/zinc/70/11/48/998701148.db2.gz QCCKRZMAEQWWDQ-FUHIMQAGSA-N 1 2 359.518 2.884 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4csc(C)n4)[C@H]3C2)cn1 ZINC001085078559 998864169 /nfs/dbraw/zinc/86/41/69/998864169.db2.gz ZPGAHFKAZSBJLU-BEFAXECRSA-N 1 2 366.490 2.564 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](Cc4csc(C)n4)[C@H]3C2)cn1 ZINC001085078559 998864172 /nfs/dbraw/zinc/86/41/72/998864172.db2.gz ZPGAHFKAZSBJLU-BEFAXECRSA-N 1 2 366.490 2.564 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(CC)on3)C[C@@H]21 ZINC001085078050 998874346 /nfs/dbraw/zinc/87/43/46/998874346.db2.gz YISQBJCMPWMNGD-DOMZBBRYSA-N 1 2 368.275 2.682 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(CC)on3)C[C@@H]21 ZINC001085078050 998874350 /nfs/dbraw/zinc/87/43/50/998874350.db2.gz YISQBJCMPWMNGD-DOMZBBRYSA-N 1 2 368.275 2.682 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000734162620 999218720 /nfs/dbraw/zinc/21/87/20/999218720.db2.gz NBFQMDPDVPOXBU-UHFFFAOYSA-N 1 2 374.444 2.943 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001085600422 999586533 /nfs/dbraw/zinc/58/65/33/999586533.db2.gz SMSIJZCKABNVQK-AQNXPRMDSA-N 1 2 353.466 2.572 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001085600422 999586536 /nfs/dbraw/zinc/58/65/36/999586536.db2.gz SMSIJZCKABNVQK-AQNXPRMDSA-N 1 2 353.466 2.572 20 30 FFEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085718903 999613664 /nfs/dbraw/zinc/61/36/64/999613664.db2.gz DBPBYGYDRWLSSN-SJBKTWHCSA-N 1 2 370.468 2.669 20 30 FFEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085718903 999613667 /nfs/dbraw/zinc/61/36/67/999613667.db2.gz DBPBYGYDRWLSSN-SJBKTWHCSA-N 1 2 370.468 2.669 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1oc(CCC)nc1C ZINC001085823278 999644331 /nfs/dbraw/zinc/64/43/31/999644331.db2.gz FAIRPWUFQRMLEN-BBWFWOEESA-N 1 2 361.486 2.559 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1oc(CCC)nc1C ZINC001085823278 999644334 /nfs/dbraw/zinc/64/43/34/999644334.db2.gz FAIRPWUFQRMLEN-BBWFWOEESA-N 1 2 361.486 2.559 20 30 FFEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001085831329 999648486 /nfs/dbraw/zinc/64/84/86/999648486.db2.gz YOATYFYLUHFMSR-WTGUMLROSA-N 1 2 372.896 2.792 20 30 FFEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001085831329 999648490 /nfs/dbraw/zinc/64/84/90/999648490.db2.gz YOATYFYLUHFMSR-WTGUMLROSA-N 1 2 372.896 2.792 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001085869208 999666650 /nfs/dbraw/zinc/66/66/50/999666650.db2.gz KYFOLFIOOFUPGF-ACRUOGEOSA-N 1 2 370.468 2.691 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001085869208 999666652 /nfs/dbraw/zinc/66/66/52/999666652.db2.gz KYFOLFIOOFUPGF-ACRUOGEOSA-N 1 2 370.468 2.691 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741353873 999723589 /nfs/dbraw/zinc/72/35/89/999723589.db2.gz RDPDBWYKMPUIAY-WIYYLYMNSA-N 1 2 371.481 2.639 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741353873 999723591 /nfs/dbraw/zinc/72/35/91/999723591.db2.gz RDPDBWYKMPUIAY-WIYYLYMNSA-N 1 2 371.481 2.639 20 30 FFEDLO C[N@H+](CCCOc1ccc(F)cc1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766613382 1000028716 /nfs/dbraw/zinc/02/87/16/1000028716.db2.gz VOLRUKUDRLKOMO-UHFFFAOYSA-N 1 2 355.413 2.706 20 30 FFEDLO C[N@@H+](CCCOc1ccc(F)cc1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766613382 1000028718 /nfs/dbraw/zinc/02/87/18/1000028718.db2.gz VOLRUKUDRLKOMO-UHFFFAOYSA-N 1 2 355.413 2.706 20 30 FFEDLO Cc1cc(C#N)nc(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)n1 ZINC001169514316 1000054900 /nfs/dbraw/zinc/05/49/00/1000054900.db2.gz QXUWNRPNFLJCMZ-AEFFLSMTSA-N 1 2 365.437 2.528 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsc1)C2 ZINC001108910273 1000127795 /nfs/dbraw/zinc/12/77/95/1000127795.db2.gz LWYHTBZPLIBPRQ-IKGGRYGDSA-N 1 2 361.511 2.508 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsc1)C2 ZINC001108910273 1000127796 /nfs/dbraw/zinc/12/77/96/1000127796.db2.gz LWYHTBZPLIBPRQ-IKGGRYGDSA-N 1 2 361.511 2.508 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109038168 1000157477 /nfs/dbraw/zinc/15/74/77/1000157477.db2.gz MOSKTKWBLDEUSN-LDTOTXGLSA-N 1 2 353.466 2.761 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109038168 1000157478 /nfs/dbraw/zinc/15/74/78/1000157478.db2.gz MOSKTKWBLDEUSN-LDTOTXGLSA-N 1 2 353.466 2.761 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(-c2ccccc2)on1 ZINC001109065793 1000158143 /nfs/dbraw/zinc/15/81/43/1000158143.db2.gz PEYMVNRWPZZUSG-QYZOEREBSA-N 1 2 367.449 2.766 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(-c2ccccc2)on1 ZINC001109065793 1000158145 /nfs/dbraw/zinc/15/81/45/1000158145.db2.gz PEYMVNRWPZZUSG-QYZOEREBSA-N 1 2 367.449 2.766 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cccc(CC)c1 ZINC001109056996 1000160543 /nfs/dbraw/zinc/16/05/43/1000160543.db2.gz AFEYAVRUONWNIA-QYZOEREBSA-N 1 2 355.482 2.875 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cccc(CC)c1 ZINC001109056996 1000160546 /nfs/dbraw/zinc/16/05/46/1000160546.db2.gz AFEYAVRUONWNIA-QYZOEREBSA-N 1 2 355.482 2.875 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccccc2n1C ZINC001109166267 1000178537 /nfs/dbraw/zinc/17/85/37/1000178537.db2.gz KMVPYYKRHXPYIR-KPFFTGBYSA-N 1 2 364.493 2.988 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccccc2n1C ZINC001109166267 1000178538 /nfs/dbraw/zinc/17/85/38/1000178538.db2.gz KMVPYYKRHXPYIR-KPFFTGBYSA-N 1 2 364.493 2.988 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc2n(n1)CCCC2 ZINC001109171473 1000179592 /nfs/dbraw/zinc/17/95/92/1000179592.db2.gz RBTMNQDSEXFHAF-HOJAQTOUSA-N 1 2 354.498 2.635 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc2n(n1)CCCC2 ZINC001109171473 1000179593 /nfs/dbraw/zinc/17/95/93/1000179593.db2.gz RBTMNQDSEXFHAF-HOJAQTOUSA-N 1 2 354.498 2.635 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1nc(-c2ccco2)no1 ZINC001109207009 1000186444 /nfs/dbraw/zinc/18/64/44/1000186444.db2.gz WZOLPUPTMCOAAG-FZKCQIBNSA-N 1 2 368.437 2.916 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1nc(-c2ccco2)no1 ZINC001109207009 1000186446 /nfs/dbraw/zinc/18/64/46/1000186446.db2.gz WZOLPUPTMCOAAG-FZKCQIBNSA-N 1 2 368.437 2.916 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ncc(C(C)(C)C)o1 ZINC001109272433 1000214502 /nfs/dbraw/zinc/21/45/02/1000214502.db2.gz JCSPJHZFCRYZQL-NCOADZHNSA-N 1 2 373.497 2.795 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ncc(C(C)(C)C)o1 ZINC001109272433 1000214505 /nfs/dbraw/zinc/21/45/05/1000214505.db2.gz JCSPJHZFCRYZQL-NCOADZHNSA-N 1 2 373.497 2.795 20 30 FFEDLO C#CCOc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000768795849 1000353605 /nfs/dbraw/zinc/35/36/05/1000353605.db2.gz HSRKUYVZVBRBLC-UHFFFAOYSA-N 1 2 362.433 2.758 20 30 FFEDLO C=C[C@H]1C[C@@]1([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1)C(=O)OCC ZINC001171250655 1000422393 /nfs/dbraw/zinc/42/23/93/1000422393.db2.gz YCBRPIDIGLYWLZ-SYNZBWTMSA-N 1 2 368.477 2.920 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000846933775 1000482395 /nfs/dbraw/zinc/48/23/95/1000482395.db2.gz XHJXTXQPVDXAEG-MSOLQXFVSA-N 1 2 352.438 2.631 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000846933775 1000482398 /nfs/dbraw/zinc/48/23/98/1000482398.db2.gz XHJXTXQPVDXAEG-MSOLQXFVSA-N 1 2 352.438 2.631 20 30 FFEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000847030370 1000524564 /nfs/dbraw/zinc/52/45/64/1000524564.db2.gz MPNAQWHMZWIOJF-QGZVFWFLSA-N 1 2 364.449 2.902 20 30 FFEDLO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000847030370 1000524568 /nfs/dbraw/zinc/52/45/68/1000524568.db2.gz MPNAQWHMZWIOJF-QGZVFWFLSA-N 1 2 364.449 2.902 20 30 FFEDLO Cn1ncc2c1[nH]c(N[NH+]=CC=C1N(C)c3ccccc3C1(C)C)nc2=O ZINC000769819777 1000599013 /nfs/dbraw/zinc/59/90/13/1000599013.db2.gz YCTUSMNMLDEKAK-IHXCVFSQSA-N 1 2 363.425 2.778 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Oc1ccc(OC)cc1)C2 ZINC001109580704 1000672034 /nfs/dbraw/zinc/67/20/34/1000672034.db2.gz RXNRZVXLEXOOKN-KNCCTNLNSA-N 1 2 364.873 2.937 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Oc1ccc(OC)cc1)C2 ZINC001109580704 1000672037 /nfs/dbraw/zinc/67/20/37/1000672037.db2.gz RXNRZVXLEXOOKN-KNCCTNLNSA-N 1 2 364.873 2.937 20 30 FFEDLO C[C@]12CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]1C[N@H+](C/C(Cl)=C/Cl)C2 ZINC001091574326 1000700470 /nfs/dbraw/zinc/70/04/70/1000700470.db2.gz DQNVKGPYNHSWRE-XILVQPLESA-N 1 2 353.253 2.599 20 30 FFEDLO C[C@]12CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]1C[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001091574326 1000700474 /nfs/dbraw/zinc/70/04/74/1000700474.db2.gz DQNVKGPYNHSWRE-XILVQPLESA-N 1 2 353.253 2.599 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnnn1-c1ccccc1 ZINC001109604462 1000714333 /nfs/dbraw/zinc/71/43/33/1000714333.db2.gz JWACYYIICLBKSI-NEWSRXKRSA-N 1 2 365.481 2.701 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnnn1-c1ccccc1 ZINC001109604462 1000714339 /nfs/dbraw/zinc/71/43/39/1000714339.db2.gz JWACYYIICLBKSI-NEWSRXKRSA-N 1 2 365.481 2.701 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccc(F)cc1 ZINC001109657174 1000796078 /nfs/dbraw/zinc/79/60/78/1000796078.db2.gz BWFDZFYLLCMLKD-QYZOEREBSA-N 1 2 373.472 2.520 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccc(F)cc1 ZINC001109657174 1000796088 /nfs/dbraw/zinc/79/60/88/1000796088.db2.gz BWFDZFYLLCMLKD-QYZOEREBSA-N 1 2 373.472 2.520 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(OC)nc1C ZINC001109681674 1000834560 /nfs/dbraw/zinc/83/45/60/1000834560.db2.gz CYRCNPORCWYBQX-NHAYFPRASA-N 1 2 358.486 2.617 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(OC)nc1C ZINC001109681674 1000834563 /nfs/dbraw/zinc/83/45/63/1000834563.db2.gz CYRCNPORCWYBQX-NHAYFPRASA-N 1 2 358.486 2.617 20 30 FFEDLO Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[C@@H](Nc3ncccc3C#N)C2)c[nH+]1 ZINC001091647275 1000951313 /nfs/dbraw/zinc/95/13/13/1000951313.db2.gz PMDRKTHWGDKCHY-DOTOQJQBSA-N 1 2 366.469 2.590 20 30 FFEDLO C=CCc1cccc(C[N@H+]2C[C@]3(F)CN([C@H](C)CC)C(=O)[C@]3(F)C2)c1O ZINC001276179750 1016481828 /nfs/dbraw/zinc/48/18/28/1016481828.db2.gz SBUGRCRDZVZPEN-VOBQZIQPSA-N 1 2 364.436 2.994 20 30 FFEDLO CCCCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC ZINC001110023003 1001331463 /nfs/dbraw/zinc/33/14/63/1001331463.db2.gz HJSFELCTZHBEMZ-SQNIBIBYSA-N 1 2 351.535 2.985 20 30 FFEDLO CCCCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC ZINC001110023003 1001331471 /nfs/dbraw/zinc/33/14/71/1001331471.db2.gz HJSFELCTZHBEMZ-SQNIBIBYSA-N 1 2 351.535 2.985 20 30 FFEDLO C=CCc1cccc(C[N@@H+]2C[C@]3(F)CN([C@H](C)CC)C(=O)[C@]3(F)C2)c1O ZINC001276179750 1016481838 /nfs/dbraw/zinc/48/18/38/1016481838.db2.gz SBUGRCRDZVZPEN-VOBQZIQPSA-N 1 2 364.436 2.994 20 30 FFEDLO CC[NH+](CC)[C@H](C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000787698862 1001707451 /nfs/dbraw/zinc/70/74/51/1001707451.db2.gz VXRMVRPWKYJULM-WBVHZDCISA-N 1 2 357.454 2.564 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CCN1c1cccc(F)c1C#N ZINC001091790078 1001819684 /nfs/dbraw/zinc/81/96/84/1001819684.db2.gz HNNWQTNFYVHFBW-ZWKOTPCHSA-N 1 2 369.444 2.848 20 30 FFEDLO C=CCN1CC[C@@]2(CC[N@@H+](Cc3ncc(Br)s3)C2)C1=O ZINC001276204647 1016536560 /nfs/dbraw/zinc/53/65/60/1016536560.db2.gz JLKJXMWMPZHTMR-CQSZACIVSA-N 1 2 356.289 2.516 20 30 FFEDLO C=CCN1CC[C@@]2(CC[N@H+](Cc3ncc(Br)s3)C2)C1=O ZINC001276204647 1016536569 /nfs/dbraw/zinc/53/65/69/1016536569.db2.gz JLKJXMWMPZHTMR-CQSZACIVSA-N 1 2 356.289 2.516 20 30 FFEDLO N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)s1 ZINC001110302712 1001905607 /nfs/dbraw/zinc/90/56/07/1001905607.db2.gz ORDKVQXEEWLXII-RTXFEEFZSA-N 1 2 355.916 2.880 20 30 FFEDLO N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)s1 ZINC001110302712 1001905612 /nfs/dbraw/zinc/90/56/12/1001905612.db2.gz ORDKVQXEEWLXII-RTXFEEFZSA-N 1 2 355.916 2.880 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CCN1c1cccc(F)c1C#N ZINC001091829689 1001913549 /nfs/dbraw/zinc/91/35/49/1001913549.db2.gz MPHCNAKRDJUESX-DLBZAZTESA-N 1 2 355.417 2.527 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CCN1c1cccc(F)c1C#N ZINC001091829689 1001913553 /nfs/dbraw/zinc/91/35/53/1001913553.db2.gz MPHCNAKRDJUESX-DLBZAZTESA-N 1 2 355.417 2.527 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[C@@H]2CCCO2)C3)c(F)c1 ZINC001110310966 1001918313 /nfs/dbraw/zinc/91/83/13/1001918313.db2.gz JQHARZLPUYHTGA-BWPNAZKDSA-N 1 2 371.456 2.878 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[C@@H]2CCCO2)C3)c(F)c1 ZINC001110310966 1001918326 /nfs/dbraw/zinc/91/83/26/1001918326.db2.gz JQHARZLPUYHTGA-BWPNAZKDSA-N 1 2 371.456 2.878 20 30 FFEDLO Cc1cc(N2CC[C@@H]3CN(C(=O)C#CC(C)C)C[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC001091851036 1001949272 /nfs/dbraw/zinc/94/92/72/1001949272.db2.gz QIQUSQRMCMHLOE-MSOLQXFVSA-N 1 2 354.498 2.853 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccccc2C(C)(C)C#N)n1 ZINC000789323835 1002045112 /nfs/dbraw/zinc/04/51/12/1002045112.db2.gz BNBZIBCVDMKMCT-UHFFFAOYSA-N 1 2 350.466 2.966 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccccc2C(C)(C)C#N)n1 ZINC000789323835 1002045121 /nfs/dbraw/zinc/04/51/21/1002045121.db2.gz BNBZIBCVDMKMCT-UHFFFAOYSA-N 1 2 350.466 2.966 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CC4)no3)C[C@@]2(C)C1 ZINC001091910756 1002065103 /nfs/dbraw/zinc/06/51/03/1002065103.db2.gz GTTNIQPVCOEPOA-QRWLVFNGSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CC4)no3)C[C@@]2(C)C1 ZINC001091910756 1002065116 /nfs/dbraw/zinc/06/51/16/1002065116.db2.gz GTTNIQPVCOEPOA-QRWLVFNGSA-N 1 2 358.486 2.830 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(CCC)s3)C[C@@]2(C)C1 ZINC001091916125 1002067683 /nfs/dbraw/zinc/06/76/83/1002067683.db2.gz BGAGMBCDZGHSHX-KUHUBIRLSA-N 1 2 362.543 2.983 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(CCC)s3)C[C@@]2(C)C1 ZINC001091916125 1002067690 /nfs/dbraw/zinc/06/76/90/1002067690.db2.gz BGAGMBCDZGHSHX-KUHUBIRLSA-N 1 2 362.543 2.983 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)n2cccn2)C1 ZINC001086576919 1002122102 /nfs/dbraw/zinc/12/21/02/1002122102.db2.gz KYIGGAXNRTXNNN-BPQIPLTHSA-N 1 2 358.873 2.781 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)n2cccn2)C1 ZINC001086576919 1002122105 /nfs/dbraw/zinc/12/21/05/1002122105.db2.gz KYIGGAXNRTXNNN-BPQIPLTHSA-N 1 2 358.873 2.781 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](Cc4nc(CC5CC5)no4)C[C@@]3(C)C2)C1 ZINC001091996407 1002203068 /nfs/dbraw/zinc/20/30/68/1002203068.db2.gz TXLHRNLZFPOAEU-IERDGZPVSA-N 1 2 370.497 2.659 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@@H+](Cc4nc(CC5CC5)no4)C[C@@]3(C)C2)C1 ZINC001091996407 1002203082 /nfs/dbraw/zinc/20/30/82/1002203082.db2.gz TXLHRNLZFPOAEU-IERDGZPVSA-N 1 2 370.497 2.659 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110351848 1002674008 /nfs/dbraw/zinc/67/40/08/1002674008.db2.gz KTQKHHHIJHSHGY-GVXRKXQCSA-N 1 2 373.472 2.980 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110351848 1002674009 /nfs/dbraw/zinc/67/40/09/1002674009.db2.gz KTQKHHHIJHSHGY-GVXRKXQCSA-N 1 2 373.472 2.980 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccnc(F)c2)C3)ccc1F ZINC001096871275 1016660210 /nfs/dbraw/zinc/66/02/10/1016660210.db2.gz BKVQXLGLDSCPFV-NXHRZFHOSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccnc(F)c2)C3)ccc1F ZINC001096871275 1016660219 /nfs/dbraw/zinc/66/02/19/1016660219.db2.gz BKVQXLGLDSCPFV-NXHRZFHOSA-N 1 2 368.387 2.767 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)c1ccc(F)nc1 ZINC001096877156 1016666147 /nfs/dbraw/zinc/66/61/47/1016666147.db2.gz LPFHQJUCADLMLS-QRVBRYPASA-N 1 2 367.399 2.747 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)c1ccc(F)nc1 ZINC001096877156 1016666159 /nfs/dbraw/zinc/66/61/59/1016666159.db2.gz LPFHQJUCADLMLS-QRVBRYPASA-N 1 2 367.399 2.747 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(OC)ns1 ZINC001095534746 1016670564 /nfs/dbraw/zinc/67/05/64/1016670564.db2.gz DTMYHOIFSFYKLS-KBMXLJTQSA-N 1 2 372.494 2.675 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(OC)ns1 ZINC001095534746 1016670570 /nfs/dbraw/zinc/67/05/70/1016670570.db2.gz DTMYHOIFSFYKLS-KBMXLJTQSA-N 1 2 372.494 2.675 20 30 FFEDLO CCCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110364593 1002991435 /nfs/dbraw/zinc/99/14/35/1002991435.db2.gz CPNSXJNMMVJMGM-OBZTUIKSSA-N 1 2 355.482 2.985 20 30 FFEDLO CCCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110364593 1002991441 /nfs/dbraw/zinc/99/14/41/1002991441.db2.gz CPNSXJNMMVJMGM-OBZTUIKSSA-N 1 2 355.482 2.985 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC1CCCCC1 ZINC001110368828 1003052760 /nfs/dbraw/zinc/05/27/60/1003052760.db2.gz OKMVMJNYSWOHGD-QRVBRYPASA-N 1 2 361.530 2.761 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC1CCCCC1 ZINC001110368828 1003052773 /nfs/dbraw/zinc/05/27/73/1003052773.db2.gz OKMVMJNYSWOHGD-QRVBRYPASA-N 1 2 361.530 2.761 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cc(C)ccc1C ZINC001110371709 1003100570 /nfs/dbraw/zinc/10/05/70/1003100570.db2.gz XBNTVWYBJHQKQC-QRQLOZEOSA-N 1 2 355.482 2.930 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cc(C)ccc1C ZINC001110371709 1003100580 /nfs/dbraw/zinc/10/05/80/1003100580.db2.gz XBNTVWYBJHQKQC-QRQLOZEOSA-N 1 2 355.482 2.930 20 30 FFEDLO COc1ccccc1CNC(=O)Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001186096042 1003184518 /nfs/dbraw/zinc/18/45/18/1003184518.db2.gz MCOWPGMCQOJMGR-UHFFFAOYSA-N 1 2 356.451 2.938 20 30 FFEDLO COc1ccccc1CNC(=O)Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001186096042 1003184524 /nfs/dbraw/zinc/18/45/24/1003184524.db2.gz MCOWPGMCQOJMGR-UHFFFAOYSA-N 1 2 356.451 2.938 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](C)N(C)c1nc(C)[nH+]c(C)c1C ZINC001113916900 1003229848 /nfs/dbraw/zinc/22/98/48/1003229848.db2.gz MMPPSWZGNSIGKZ-BVGQSLNGSA-N 1 2 360.502 2.714 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCc1nc(C(C)C)no1)C2 ZINC001110099258 1003240985 /nfs/dbraw/zinc/24/09/85/1003240985.db2.gz BBJDQZWHAUOMAE-ILXRZTDVSA-N 1 2 366.893 2.990 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCc1nc(C(C)C)no1)C2 ZINC001110099258 1003240993 /nfs/dbraw/zinc/24/09/93/1003240993.db2.gz BBJDQZWHAUOMAE-ILXRZTDVSA-N 1 2 366.893 2.990 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2[C@@H]4CCC[C@@H]42)C3)c1 ZINC001096929456 1016751821 /nfs/dbraw/zinc/75/18/21/1016751821.db2.gz YJBHAACKXPWZQE-URTLRTLISA-N 1 2 353.441 2.965 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2[C@@H]4CCC[C@@H]42)C3)c1 ZINC001096929456 1016751837 /nfs/dbraw/zinc/75/18/37/1016751837.db2.gz YJBHAACKXPWZQE-URTLRTLISA-N 1 2 353.441 2.965 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(O)ccc2Cl)c1 ZINC001096931656 1016752337 /nfs/dbraw/zinc/75/23/37/1016752337.db2.gz SXGOZEJRZQUKPS-QBIMZIAESA-N 1 2 370.840 2.781 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(O)ccc2Cl)c1 ZINC001096931656 1016752349 /nfs/dbraw/zinc/75/23/49/1016752349.db2.gz SXGOZEJRZQUKPS-QBIMZIAESA-N 1 2 370.840 2.781 20 30 FFEDLO Cc1cccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001096933472 1016755572 /nfs/dbraw/zinc/75/55/72/1016755572.db2.gz CFHBXEUKZXRYFU-QRQLOZEOSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001096933472 1016755587 /nfs/dbraw/zinc/75/55/87/1016755587.db2.gz CFHBXEUKZXRYFU-QRQLOZEOSA-N 1 2 364.424 2.936 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(Cl)c2)C[C@H]1O ZINC001196474862 1003781602 /nfs/dbraw/zinc/78/16/02/1003781602.db2.gz NOTSPNKPUJPQHQ-HZPDHXFCSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(Cl)c2)C[C@H]1O ZINC001196474862 1003781608 /nfs/dbraw/zinc/78/16/08/1003781608.db2.gz NOTSPNKPUJPQHQ-HZPDHXFCSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccccc2Br)C[C@H]1O ZINC001191651905 1003915519 /nfs/dbraw/zinc/91/55/19/1003915519.db2.gz MJVHRQHCEQSLIN-APHBMKBZSA-N 1 2 367.287 2.638 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2Br)C[C@H]1O ZINC001191651905 1003915525 /nfs/dbraw/zinc/91/55/25/1003915525.db2.gz MJVHRQHCEQSLIN-APHBMKBZSA-N 1 2 367.287 2.638 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cc2cccn2cn1 ZINC001095604752 1016841937 /nfs/dbraw/zinc/84/19/37/1016841937.db2.gz HZZSABLBEQHJRL-URVUXULASA-N 1 2 370.456 2.721 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cc2cccn2cn1 ZINC001095604752 1016841947 /nfs/dbraw/zinc/84/19/47/1016841947.db2.gz HZZSABLBEQHJRL-URVUXULASA-N 1 2 370.456 2.721 20 30 FFEDLO CC[C@@H]1CC(N2CC[NH2+]C[C@H]2C#N)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170484956 1004082070 /nfs/dbraw/zinc/08/20/70/1004082070.db2.gz SFOHDVQCYWENBE-BFYDXBDKSA-N 1 2 350.507 2.740 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)co1 ZINC001096994599 1016856746 /nfs/dbraw/zinc/85/67/46/1016856746.db2.gz AMWONDAEKVEEDB-KYJSFNMBSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)co1 ZINC001096994599 1016856760 /nfs/dbraw/zinc/85/67/60/1016856760.db2.gz AMWONDAEKVEEDB-KYJSFNMBSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1ccn(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001097004271 1016875025 /nfs/dbraw/zinc/87/50/25/1016875025.db2.gz WSGLRFQYBAZANX-QRQLOZEOSA-N 1 2 366.440 2.880 20 30 FFEDLO Cc1ccn(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001097004271 1016875048 /nfs/dbraw/zinc/87/50/48/1016875048.db2.gz WSGLRFQYBAZANX-QRQLOZEOSA-N 1 2 366.440 2.880 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cc(F)ccc2F)C[C@H]1O ZINC001193303973 1004444517 /nfs/dbraw/zinc/44/45/17/1004444517.db2.gz GZFARBADJGGTHX-CSMYWGQOSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cc(F)ccc2F)C[C@H]1O ZINC001193303973 1004444522 /nfs/dbraw/zinc/44/45/22/1004444522.db2.gz GZFARBADJGGTHX-CSMYWGQOSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(Cl)c2)C[C@H]1O ZINC001193337516 1004454735 /nfs/dbraw/zinc/45/47/35/1004454735.db2.gz SZPOKZWGQCPHMD-HZPDHXFCSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(Cl)c2)C[C@H]1O ZINC001193337516 1004454740 /nfs/dbraw/zinc/45/47/40/1004454740.db2.gz SZPOKZWGQCPHMD-HZPDHXFCSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)cc(F)c1 ZINC001110500456 1004459415 /nfs/dbraw/zinc/45/94/15/1004459415.db2.gz AZMYAHJCJVICFJ-VXNCWWDNSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)cc(F)c1 ZINC001110500456 1004459418 /nfs/dbraw/zinc/45/94/18/1004459418.db2.gz AZMYAHJCJVICFJ-VXNCWWDNSA-N 1 2 350.409 2.513 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@H]1O ZINC001198081919 1004474317 /nfs/dbraw/zinc/47/43/17/1004474317.db2.gz VBDCTRFFPDHTCH-QZTJIDSGSA-N 1 2 363.502 2.502 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)C[C@H]1O ZINC001198081919 1004474322 /nfs/dbraw/zinc/47/43/22/1004474322.db2.gz VBDCTRFFPDHTCH-QZTJIDSGSA-N 1 2 363.502 2.502 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1 ZINC001110459520 1004486613 /nfs/dbraw/zinc/48/66/13/1004486613.db2.gz ONBSAWNJVFZYQD-QRVBRYPASA-N 1 2 353.466 2.540 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1 ZINC001110459520 1004486615 /nfs/dbraw/zinc/48/66/15/1004486615.db2.gz ONBSAWNJVFZYQD-QRVBRYPASA-N 1 2 353.466 2.540 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCF)c1ccccc1OC ZINC001198924268 1004781402 /nfs/dbraw/zinc/78/14/02/1004781402.db2.gz IEJSEHMUKGNYHN-LNLFQRSKSA-N 1 2 364.461 2.783 20 30 FFEDLO CCCC[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001194841077 1004821306 /nfs/dbraw/zinc/82/13/06/1004821306.db2.gz YIUGIIBRMQUSTQ-PWIZWCRZSA-N 1 2 357.498 2.826 20 30 FFEDLO CCCC[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001194841077 1004821310 /nfs/dbraw/zinc/82/13/10/1004821310.db2.gz YIUGIIBRMQUSTQ-PWIZWCRZSA-N 1 2 357.498 2.826 20 30 FFEDLO C=CCCC(=O)N(CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Cc1ccccc1 ZINC001055056089 1016912163 /nfs/dbraw/zinc/91/21/63/1016912163.db2.gz TVVYCZVNKMNCFX-QZTJIDSGSA-N 1 2 366.465 2.624 20 30 FFEDLO C=CCCC(=O)N(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Cc1ccccc1 ZINC001055056089 1016912178 /nfs/dbraw/zinc/91/21/78/1016912178.db2.gz TVVYCZVNKMNCFX-QZTJIDSGSA-N 1 2 366.465 2.624 20 30 FFEDLO Cc1cc[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001097024139 1016914661 /nfs/dbraw/zinc/91/46/61/1016914661.db2.gz WTHMWESKUCWPOF-NXHRZFHOSA-N 1 2 352.413 2.869 20 30 FFEDLO Cc1cc[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001097024139 1016914668 /nfs/dbraw/zinc/91/46/68/1016914668.db2.gz WTHMWESKUCWPOF-NXHRZFHOSA-N 1 2 352.413 2.869 20 30 FFEDLO C=CCC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1O)c1ccccc1 ZINC001199567707 1004971913 /nfs/dbraw/zinc/97/19/13/1004971913.db2.gz YEFQWIIFXVVNBY-GUDVDZBRSA-N 1 2 371.506 2.554 20 30 FFEDLO C=CCC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1O)c1ccccc1 ZINC001199567707 1004971918 /nfs/dbraw/zinc/97/19/18/1004971918.db2.gz YEFQWIIFXVVNBY-GUDVDZBRSA-N 1 2 371.506 2.554 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1O ZINC001195554114 1004981556 /nfs/dbraw/zinc/98/15/56/1004981556.db2.gz CMAZHCSIPRXSJS-KBRIMQKVSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1O ZINC001195554114 1004981562 /nfs/dbraw/zinc/98/15/62/1004981562.db2.gz CMAZHCSIPRXSJS-KBRIMQKVSA-N 1 2 370.415 2.969 20 30 FFEDLO CO[C@H](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110473504 1005012802 /nfs/dbraw/zinc/01/28/02/1005012802.db2.gz VOKWCJZLMYVICD-AZFSHXRASA-N 1 2 359.445 2.734 20 30 FFEDLO CO[C@H](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110473504 1005012805 /nfs/dbraw/zinc/01/28/05/1005012805.db2.gz VOKWCJZLMYVICD-AZFSHXRASA-N 1 2 359.445 2.734 20 30 FFEDLO C=CCC(C)(C)C(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001487562611 1005074483 /nfs/dbraw/zinc/07/44/83/1005074483.db2.gz HCAVAAKUCJBEEL-HZPDHXFCSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CCC(C)(C)C(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001487562611 1005074490 /nfs/dbraw/zinc/07/44/90/1005074490.db2.gz HCAVAAKUCJBEEL-HZPDHXFCSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CC[NH+]1CCN(C(=S)Nc2ccc(C#N)cc2Br)CC1 ZINC001201120175 1005175153 /nfs/dbraw/zinc/17/51/53/1005175153.db2.gz CYKLGFNRIGQXPW-UHFFFAOYSA-N 1 2 365.300 2.821 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]Cc2cnon2)cc1 ZINC001050272093 1016953748 /nfs/dbraw/zinc/95/37/48/1016953748.db2.gz NEUAEPFZEUNUKV-CCKFTAQKSA-N 1 2 370.453 2.518 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ncccn2)C[C@H]1c1ccccc1 ZINC001488888910 1005371544 /nfs/dbraw/zinc/37/15/44/1005371544.db2.gz HMKGJEIMKCHLQU-ZWKOTPCHSA-N 1 2 350.466 2.773 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1c1ccccc1 ZINC001488888910 1005371545 /nfs/dbraw/zinc/37/15/45/1005371545.db2.gz HMKGJEIMKCHLQU-ZWKOTPCHSA-N 1 2 350.466 2.773 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCOC)C1 ZINC001488886278 1005378842 /nfs/dbraw/zinc/37/88/42/1005378842.db2.gz YGRRSRUQGZLYBX-JKSUJKDBSA-N 1 2 367.287 2.516 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCOC)C1 ZINC001488886278 1005378843 /nfs/dbraw/zinc/37/88/43/1005378843.db2.gz YGRRSRUQGZLYBX-JKSUJKDBSA-N 1 2 367.287 2.516 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CC[C@H](C)OC)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001489111211 1005411226 /nfs/dbraw/zinc/41/12/26/1005411226.db2.gz DOBQVENVXXJMIP-ZOCIIQOWSA-N 1 2 361.461 2.982 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CC[C@H](C)OC)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001489111211 1005411227 /nfs/dbraw/zinc/41/12/27/1005411227.db2.gz DOBQVENVXXJMIP-ZOCIIQOWSA-N 1 2 361.461 2.982 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc3cc(C)c(C)cc3o2)[C@H]1C ZINC001489301692 1005453397 /nfs/dbraw/zinc/45/33/97/1005453397.db2.gz UCTLWQHUMPXIHJ-WBVHZDCISA-N 1 2 369.465 2.544 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc3cc(C)c(C)cc3o2)[C@H]1C ZINC001489301692 1005453399 /nfs/dbraw/zinc/45/33/99/1005453399.db2.gz UCTLWQHUMPXIHJ-WBVHZDCISA-N 1 2 369.465 2.544 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)CCC ZINC001110601103 1005474378 /nfs/dbraw/zinc/47/43/78/1005474378.db2.gz JRLWKWVPIZZVOP-MIGQKNRLSA-N 1 2 369.937 2.791 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)CCC ZINC001110601103 1005474379 /nfs/dbraw/zinc/47/43/79/1005474379.db2.gz JRLWKWVPIZZVOP-MIGQKNRLSA-N 1 2 369.937 2.791 20 30 FFEDLO C=CCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001489684884 1005541828 /nfs/dbraw/zinc/54/18/28/1005541828.db2.gz KYRAAGFYQYXWHA-KURKYZTESA-N 1 2 360.502 2.980 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001490676452 1005752164 /nfs/dbraw/zinc/75/21/64/1005752164.db2.gz VCKIKJOXDUNNOS-IKGGRYGDSA-N 1 2 366.465 2.717 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3[nH+]ccn31)C2 ZINC001490651963 1005754507 /nfs/dbraw/zinc/75/45/07/1005754507.db2.gz BMUKMTHJFVKJLA-NCOADZHNSA-N 1 2 366.465 2.798 20 30 FFEDLO CN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C#N)c1ccccc1 ZINC000851777944 1005913540 /nfs/dbraw/zinc/91/35/40/1005913540.db2.gz BQSMZVRRTSZTMF-SFHVURJKSA-N 1 2 358.486 2.736 20 30 FFEDLO N#Cc1sccc1N1CC[NH+](C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000852341944 1005985795 /nfs/dbraw/zinc/98/57/95/1005985795.db2.gz AQTKFXPWWJUMLY-INIZCTEOSA-N 1 2 368.462 2.767 20 30 FFEDLO C=CCOCC[N@H+]1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852498962 1006055079 /nfs/dbraw/zinc/05/50/79/1006055079.db2.gz UVFRGBSBZUZARZ-HOTGVXAUSA-N 1 2 374.378 2.865 20 30 FFEDLO C=CCOCC[N@@H+]1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852498962 1006055090 /nfs/dbraw/zinc/05/50/90/1006055090.db2.gz UVFRGBSBZUZARZ-HOTGVXAUSA-N 1 2 374.378 2.865 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852736125 1006162825 /nfs/dbraw/zinc/16/28/25/1006162825.db2.gz UUNHTRDORAYZNT-BZUAXINKSA-N 1 2 369.481 2.513 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852736125 1006162831 /nfs/dbraw/zinc/16/28/31/1006162831.db2.gz UUNHTRDORAYZNT-BZUAXINKSA-N 1 2 369.481 2.513 20 30 FFEDLO C#CCC[N@@H+](CCOC)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000852753083 1006168103 /nfs/dbraw/zinc/16/81/03/1006168103.db2.gz WJTVINQSFKOZKD-KRWDZBQOSA-N 1 2 369.421 2.522 20 30 FFEDLO C#CCC[N@H+](CCOC)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000852753083 1006168112 /nfs/dbraw/zinc/16/81/12/1006168112.db2.gz WJTVINQSFKOZKD-KRWDZBQOSA-N 1 2 369.421 2.522 20 30 FFEDLO COC(=O)NC1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000852770012 1006175449 /nfs/dbraw/zinc/17/54/49/1006175449.db2.gz ASFHVNYHNZAQSE-UHFFFAOYSA-N 1 2 368.437 2.558 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](Cc3nnc(-c4ccco4)o3)C[C@H]21 ZINC001188063699 1006393387 /nfs/dbraw/zinc/39/33/87/1006393387.db2.gz NYACAAPFKDLZKQ-LSDHHAIUSA-N 1 2 370.453 2.965 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(-c4ccco4)o3)C[C@H]21 ZINC001188063699 1006393397 /nfs/dbraw/zinc/39/33/97/1006393397.db2.gz NYACAAPFKDLZKQ-LSDHHAIUSA-N 1 2 370.453 2.965 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccc(OC)cc3)C[C@H]21 ZINC001188080649 1006400484 /nfs/dbraw/zinc/40/04/84/1006400484.db2.gz FUZDAAGBIXIQBD-QFBILLFUSA-N 1 2 371.481 2.523 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccc(OC)cc3)C[C@H]21 ZINC001188080649 1006400489 /nfs/dbraw/zinc/40/04/89/1006400489.db2.gz FUZDAAGBIXIQBD-QFBILLFUSA-N 1 2 371.481 2.523 20 30 FFEDLO CC(C)OCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206142253 1032159226 /nfs/dbraw/zinc/15/92/26/1032159226.db2.gz IBLFKSZHOIVWNC-VQIMIIECSA-N 1 2 362.901 2.943 20 30 FFEDLO CC(C)OCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206142253 1032159230 /nfs/dbraw/zinc/15/92/30/1032159230.db2.gz IBLFKSZHOIVWNC-VQIMIIECSA-N 1 2 362.901 2.943 20 30 FFEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)CC1 ZINC001188844364 1006767581 /nfs/dbraw/zinc/76/75/81/1006767581.db2.gz ORMGFFTUOXLQLT-UHFFFAOYSA-N 1 2 369.446 2.852 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4ccoc4)no3)C[C@H]21 ZINC001188884439 1006767769 /nfs/dbraw/zinc/76/77/69/1006767769.db2.gz JAKRWRZOKUJICT-YQQAZPJKSA-N 1 2 370.453 2.965 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4ccoc4)no3)C[C@H]21 ZINC001188884439 1006767783 /nfs/dbraw/zinc/76/77/83/1006767783.db2.gz JAKRWRZOKUJICT-YQQAZPJKSA-N 1 2 370.453 2.965 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)c4nncn4C)C[C@H]32)CCCCC1 ZINC001189406461 1007068687 /nfs/dbraw/zinc/06/86/87/1007068687.db2.gz RRLXKJOZDXDLFR-OKZBNKHCSA-N 1 2 371.529 2.935 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]3C[N@H+]([C@@H](C)c4nncn4C)C[C@H]32)CCCCC1 ZINC001189406461 1007068698 /nfs/dbraw/zinc/06/86/98/1007068698.db2.gz RRLXKJOZDXDLFR-OKZBNKHCSA-N 1 2 371.529 2.935 20 30 FFEDLO COCCn1c[nH+]cc1CNC(=O)c1cc(F)c(Cl)c(C#N)c1Cl ZINC001189855757 1007335228 /nfs/dbraw/zinc/33/52/28/1007335228.db2.gz SDHHGVPZOIFTQA-UHFFFAOYSA-N 1 2 371.199 2.777 20 30 FFEDLO Cc1nn(C)c2ncc(C[NH+]3CCN([C@@H](C#N)c4ccccc4)CC3)cc12 ZINC000121561900 1007419964 /nfs/dbraw/zinc/41/99/64/1007419964.db2.gz QETAYUPHVRHKJJ-FQEVSTJZSA-N 1 2 360.465 2.659 20 30 FFEDLO N#CCc1ccccc1CC(=O)OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817186220 1007468368 /nfs/dbraw/zinc/46/83/68/1007468368.db2.gz RWIQCVMQIAVGCY-UHFFFAOYSA-N 1 2 364.445 2.871 20 30 FFEDLO C=C[C@@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21)c1ccccc1 ZINC001190282452 1007571480 /nfs/dbraw/zinc/57/14/80/1007571480.db2.gz RHLCJEBWINCWTA-YSIASYRMSA-N 1 2 362.477 2.869 20 30 FFEDLO C=C[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21)c1ccccc1 ZINC001190282452 1007571493 /nfs/dbraw/zinc/57/14/93/1007571493.db2.gz RHLCJEBWINCWTA-YSIASYRMSA-N 1 2 362.477 2.869 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(-c4ccco4)on3)C[C@H]21 ZINC001190450020 1007649190 /nfs/dbraw/zinc/64/91/90/1007649190.db2.gz MYABAWJLTVEAFE-YQQAZPJKSA-N 1 2 371.437 2.558 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(-c4ccco4)on3)C[C@H]21 ZINC001190450020 1007649195 /nfs/dbraw/zinc/64/91/95/1007649195.db2.gz MYABAWJLTVEAFE-YQQAZPJKSA-N 1 2 371.437 2.558 20 30 FFEDLO C=C1CCC(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000885652152 1007770870 /nfs/dbraw/zinc/77/08/70/1007770870.db2.gz OTMKQFFVFDNTTQ-UHFFFAOYSA-N 1 2 372.465 2.747 20 30 FFEDLO Cc1cccn2c(CNS(=O)(=O)c3cc(C#N)ccc3Cl)c[nH+]c12 ZINC001190985968 1007861400 /nfs/dbraw/zinc/86/14/00/1007861400.db2.gz JQYSYAKVCCDOLY-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@@H](O)c3ccnn3C)CC2)c1C ZINC000856800917 1007979790 /nfs/dbraw/zinc/97/97/90/1007979790.db2.gz IPUDLGRIDTXRCT-OAQYLSRUSA-N 1 2 370.497 2.653 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858047006 1008288689 /nfs/dbraw/zinc/28/86/89/1008288689.db2.gz HQYZEBUHUBFMNU-UYAOXDASSA-N 1 2 362.433 2.510 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858047006 1008288692 /nfs/dbraw/zinc/28/86/92/1008288692.db2.gz HQYZEBUHUBFMNU-UYAOXDASSA-N 1 2 362.433 2.510 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)OCc1cccc2[nH+]ccn21 ZINC000820331645 1008320041 /nfs/dbraw/zinc/32/00/41/1008320041.db2.gz NRGRDRSZFGDRSQ-HNNXBMFYSA-N 1 2 372.425 2.965 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000859018928 1008465487 /nfs/dbraw/zinc/46/54/87/1008465487.db2.gz GIRFFZPRGAZHFM-IAGOWNOFSA-N 1 2 358.486 2.537 20 30 FFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000886048919 1008525586 /nfs/dbraw/zinc/52/55/86/1008525586.db2.gz ASJQSZQHGOREGQ-INIZCTEOSA-N 1 2 356.470 2.895 20 30 FFEDLO Cc1ccc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000859565096 1008563777 /nfs/dbraw/zinc/56/37/77/1008563777.db2.gz CCZFXABSEQOFQD-FQEVSTJZSA-N 1 2 350.418 2.811 20 30 FFEDLO Cc1ccc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000859565096 1008563789 /nfs/dbraw/zinc/56/37/89/1008563789.db2.gz CCZFXABSEQOFQD-FQEVSTJZSA-N 1 2 350.418 2.811 20 30 FFEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170987158 1008632210 /nfs/dbraw/zinc/63/22/10/1008632210.db2.gz ZZFIIAVJDORZND-FXAWDEMLSA-N 1 2 352.409 2.929 20 30 FFEDLO COc1ncc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1C#N ZINC001177480452 1008642090 /nfs/dbraw/zinc/64/20/90/1008642090.db2.gz ONVFGMBVVXUEJP-QGZVFWFLSA-N 1 2 354.385 2.704 20 30 FFEDLO COc1ncc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1C#N ZINC001177480452 1008642099 /nfs/dbraw/zinc/64/20/99/1008642099.db2.gz ONVFGMBVVXUEJP-QGZVFWFLSA-N 1 2 354.385 2.704 20 30 FFEDLO COC(=O)c1cc(C#N)cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccco2)c1 ZINC001177622738 1008685474 /nfs/dbraw/zinc/68/54/74/1008685474.db2.gz RBCBGSWGDASKGP-QGZVFWFLSA-N 1 2 353.378 2.541 20 30 FFEDLO COC(=O)c1cc(C#N)cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccco2)c1 ZINC001177622738 1008685480 /nfs/dbraw/zinc/68/54/80/1008685480.db2.gz RBCBGSWGDASKGP-QGZVFWFLSA-N 1 2 353.378 2.541 20 30 FFEDLO N#C[C@@H](Cc1cccs1)C(=O)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001177909576 1008781883 /nfs/dbraw/zinc/78/18/83/1008781883.db2.gz NZCJLWOFPUZNKX-VQIMIIECSA-N 1 2 351.475 2.872 20 30 FFEDLO N#C[C@@H](Cc1cccs1)C(=O)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001177909576 1008781895 /nfs/dbraw/zinc/78/18/95/1008781895.db2.gz NZCJLWOFPUZNKX-VQIMIIECSA-N 1 2 351.475 2.872 20 30 FFEDLO C=CCC1(O)CC[NH+](CC(=O)c2c[nH]c3ccc(C(=O)OC)cc23)CC1 ZINC000886777107 1008874724 /nfs/dbraw/zinc/87/47/24/1008874724.db2.gz YNPHQCDDWMGACI-UHFFFAOYSA-N 1 2 356.422 2.540 20 30 FFEDLO Cc1ccn(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001095356828 1008920771 /nfs/dbraw/zinc/92/07/71/1008920771.db2.gz ZQIUBFSFMAIAGS-AABGKKOBSA-N 1 2 365.452 2.859 20 30 FFEDLO Cc1ccn(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001095356828 1008920788 /nfs/dbraw/zinc/92/07/88/1008920788.db2.gz ZQIUBFSFMAIAGS-AABGKKOBSA-N 1 2 365.452 2.859 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)/C=C/C(C)(C)C)C2)c1 ZINC001206651440 1032375594 /nfs/dbraw/zinc/37/55/94/1032375594.db2.gz QOWSGSQHXKQBMI-YMQDBVEKSA-N 1 2 367.493 2.645 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)/C=C/C(C)(C)C)C2)c1 ZINC001206651440 1032375598 /nfs/dbraw/zinc/37/55/98/1032375598.db2.gz QOWSGSQHXKQBMI-YMQDBVEKSA-N 1 2 367.493 2.645 20 30 FFEDLO CCOC(=O)C[N@H+](CCOc1ccc(C#N)cc1)Cc1ccccc1O ZINC000823581387 1009118847 /nfs/dbraw/zinc/11/88/47/1009118847.db2.gz IRALPNRSVYTAAU-UHFFFAOYSA-N 1 2 354.406 2.708 20 30 FFEDLO CCOC(=O)C[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccccc1O ZINC000823581387 1009118854 /nfs/dbraw/zinc/11/88/54/1009118854.db2.gz IRALPNRSVYTAAU-UHFFFAOYSA-N 1 2 354.406 2.708 20 30 FFEDLO CC(C)(NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(C#N)cc1 ZINC001178994690 1009219096 /nfs/dbraw/zinc/21/90/96/1009219096.db2.gz ZCSAYNVBGNNEQE-HXUWFJFHSA-N 1 2 363.461 2.811 20 30 FFEDLO CC(C)(NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(C#N)cc1 ZINC001178994690 1009219106 /nfs/dbraw/zinc/21/91/06/1009219106.db2.gz ZCSAYNVBGNNEQE-HXUWFJFHSA-N 1 2 363.461 2.811 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2[nH]nc3c2C[C@H](C)CC3)[C@H](C)C1 ZINC001093090411 1009868273 /nfs/dbraw/zinc/86/82/73/1009868273.db2.gz YZORFWCHSPEZQU-YRGRVCCFSA-N 1 2 350.894 2.585 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2[nH]nc3c2C[C@H](C)CC3)[C@H](C)C1 ZINC001093090411 1009868289 /nfs/dbraw/zinc/86/82/89/1009868289.db2.gz YZORFWCHSPEZQU-YRGRVCCFSA-N 1 2 350.894 2.585 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3ccccc3)o2)C[C@H]1C ZINC001206887148 1032480959 /nfs/dbraw/zinc/48/09/59/1032480959.db2.gz YNOSERMBXOXXKX-SJLPKXTDSA-N 1 2 366.465 2.867 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3ccccc3)o2)C[C@H]1C ZINC001206887148 1032480965 /nfs/dbraw/zinc/48/09/65/1032480965.db2.gz YNOSERMBXOXXKX-SJLPKXTDSA-N 1 2 366.465 2.867 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)oc1C)C2 ZINC001110277309 1010500257 /nfs/dbraw/zinc/50/02/57/1010500257.db2.gz YIWFBWWBXLGFHS-QRQLOZEOSA-N 1 2 373.497 2.656 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)oc1C)C2 ZINC001110277309 1010500263 /nfs/dbraw/zinc/50/02/63/1010500263.db2.gz YIWFBWWBXLGFHS-QRQLOZEOSA-N 1 2 373.497 2.656 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C[C@H]1C ZINC001206912669 1032494909 /nfs/dbraw/zinc/49/49/09/1032494909.db2.gz WYHQJENDLTXZRB-RVKKMQEKSA-N 1 2 366.465 2.636 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C[C@H]1C ZINC001206912669 1032494915 /nfs/dbraw/zinc/49/49/15/1032494915.db2.gz WYHQJENDLTXZRB-RVKKMQEKSA-N 1 2 366.465 2.636 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C[C@H]1C ZINC001206939341 1032512978 /nfs/dbraw/zinc/51/29/78/1032512978.db2.gz AMLWWQHMUCEAGY-SOLBZPMBSA-N 1 2 366.465 2.894 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C[C@H]1C ZINC001206939341 1032512984 /nfs/dbraw/zinc/51/29/84/1032512984.db2.gz AMLWWQHMUCEAGY-SOLBZPMBSA-N 1 2 366.465 2.894 20 30 FFEDLO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)c1C ZINC001206939621 1032513952 /nfs/dbraw/zinc/51/39/52/1032513952.db2.gz NCJPLVIYFOKIPR-YVWKXTFCSA-N 1 2 369.509 2.726 20 30 FFEDLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)c1C ZINC001206939621 1032513956 /nfs/dbraw/zinc/51/39/56/1032513956.db2.gz NCJPLVIYFOKIPR-YVWKXTFCSA-N 1 2 369.509 2.726 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nncs1)CC2 ZINC001094433867 1011119211 /nfs/dbraw/zinc/11/92/11/1011119211.db2.gz GXUAHNNNKNOIFJ-VQIMIIECSA-N 1 2 371.510 2.700 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nncs1)CC2 ZINC001094433867 1011119213 /nfs/dbraw/zinc/11/92/13/1011119213.db2.gz GXUAHNNNKNOIFJ-VQIMIIECSA-N 1 2 371.510 2.700 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)ccc1C1CC1)C2 ZINC001110844113 1011209334 /nfs/dbraw/zinc/20/93/34/1011209334.db2.gz KGLGMEQYKOQRRK-AHRSYUTCSA-N 1 2 367.493 2.510 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)ccc1C1CC1)C2 ZINC001110844113 1011209347 /nfs/dbraw/zinc/20/93/47/1011209347.db2.gz KGLGMEQYKOQRRK-AHRSYUTCSA-N 1 2 367.493 2.510 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F)C1CCC1 ZINC001110868797 1011283833 /nfs/dbraw/zinc/28/38/33/1011283833.db2.gz RGJOINDBOCCBBX-RSPOEFSDSA-N 1 2 371.456 2.734 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F)C1CCC1 ZINC001110868797 1011283848 /nfs/dbraw/zinc/28/38/48/1011283848.db2.gz RGJOINDBOCCBBX-RSPOEFSDSA-N 1 2 371.456 2.734 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)C(C)(C)CC4CCC4)C3)C2)cc1C#N ZINC001274365607 1011404212 /nfs/dbraw/zinc/40/42/12/1011404212.db2.gz WQFHHCKYCCULGF-UHFFFAOYSA-N 1 2 354.498 2.757 20 30 FFEDLO CCOCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(F)cc1C#N ZINC001275033918 1011840499 /nfs/dbraw/zinc/84/04/99/1011840499.db2.gz FDMSJGFBRKQNJL-HXUWFJFHSA-N 1 2 359.445 2.691 20 30 FFEDLO CCOCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(F)cc1C#N ZINC001275033918 1011840512 /nfs/dbraw/zinc/84/05/12/1011840512.db2.gz FDMSJGFBRKQNJL-HXUWFJFHSA-N 1 2 359.445 2.691 20 30 FFEDLO COc1cccc([C@H]2CN(C(=O)c3cc4ccccc4n3CC#N)CC[NH2+]2)c1 ZINC000870149943 1012207857 /nfs/dbraw/zinc/20/78/57/1012207857.db2.gz OLCVRRJAGKTXMJ-LJQANCHMSA-N 1 2 374.444 2.960 20 30 FFEDLO C=CCOC(=O)N1CC[NH+]([C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173074263 1012244463 /nfs/dbraw/zinc/24/44/63/1012244463.db2.gz GPZLZHAYSFFDIA-HZPDHXFCSA-N 1 2 367.490 2.715 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(C#N)c1Cl)C2 ZINC001275309481 1012269138 /nfs/dbraw/zinc/26/91/38/1012269138.db2.gz ZLZUWJIZIATUDF-HXUWFJFHSA-N 1 2 373.884 2.839 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cccc(C#N)c1Cl)C2 ZINC001275309481 1012269152 /nfs/dbraw/zinc/26/91/52/1012269152.db2.gz ZLZUWJIZIATUDF-HXUWFJFHSA-N 1 2 373.884 2.839 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cncc(Br)c1 ZINC001275355760 1012354542 /nfs/dbraw/zinc/35/45/42/1012354542.db2.gz JEEWJRNJCJDEIV-KRWDZBQOSA-N 1 2 364.287 2.987 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cncc(Br)c1 ZINC001275355760 1012354559 /nfs/dbraw/zinc/35/45/59/1012354559.db2.gz JEEWJRNJCJDEIV-KRWDZBQOSA-N 1 2 364.287 2.987 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3nc(C(F)(F)F)c[nH]3)CC2)C1=O ZINC001275495813 1012543343 /nfs/dbraw/zinc/54/33/43/1012543343.db2.gz OCIZYMRALXKIAE-INIZCTEOSA-N 1 2 356.392 2.819 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+](Cc3nc(C(F)(F)F)c[nH]3)CC2)C1=O ZINC001275495813 1012543354 /nfs/dbraw/zinc/54/33/54/1012543354.db2.gz OCIZYMRALXKIAE-INIZCTEOSA-N 1 2 356.392 2.819 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2O)C3)ccc1F ZINC001095188438 1012672364 /nfs/dbraw/zinc/67/23/64/1012672364.db2.gz FVYTWNVKJYYSOQ-MNEFBYGVSA-N 1 2 365.408 2.938 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2O)C3)ccc1F ZINC001095188438 1012672369 /nfs/dbraw/zinc/67/23/69/1012672369.db2.gz FVYTWNVKJYYSOQ-MNEFBYGVSA-N 1 2 365.408 2.938 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(F)nc2)C3)c(F)c1 ZINC001095243765 1012832240 /nfs/dbraw/zinc/83/22/40/1012832240.db2.gz VEKKTWWKSRHMRV-NJAFHUGGSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(F)nc2)C3)c(F)c1 ZINC001095243765 1012832252 /nfs/dbraw/zinc/83/22/52/1012832252.db2.gz VEKKTWWKSRHMRV-NJAFHUGGSA-N 1 2 368.387 2.767 20 30 FFEDLO CC(C)CCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001217265263 1032671546 /nfs/dbraw/zinc/67/15/46/1032671546.db2.gz MMNAMXQXRRFCSL-RBUKOAKNSA-N 1 2 359.445 2.545 20 30 FFEDLO CC(C)CCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001217265263 1032671552 /nfs/dbraw/zinc/67/15/52/1032671552.db2.gz MMNAMXQXRRFCSL-RBUKOAKNSA-N 1 2 359.445 2.545 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001051103194 1017224040 /nfs/dbraw/zinc/22/40/40/1017224040.db2.gz WLJDMZOPKWZMTE-BVBHFADKSA-N 1 2 372.513 2.857 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1C ZINC001051119948 1017227872 /nfs/dbraw/zinc/22/78/72/1017227872.db2.gz AWUUYBYSCCZWQX-DFEOGRTESA-N 1 2 372.513 2.973 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3cc[nH]c3n1)C2 ZINC001097268024 1017280806 /nfs/dbraw/zinc/28/08/06/1017280806.db2.gz CWAORUTUFHBLQM-RLLQIKCJSA-N 1 2 371.444 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3cc[nH]c3n1)C2 ZINC001097268024 1017280812 /nfs/dbraw/zinc/28/08/12/1017280812.db2.gz CWAORUTUFHBLQM-RLLQIKCJSA-N 1 2 371.444 2.970 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)c1ccsn1 ZINC001097306732 1017317812 /nfs/dbraw/zinc/31/78/12/1017317812.db2.gz PDZXXVXMSOTVGY-NXHRZFHOSA-N 1 2 355.438 2.669 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)c1ccsn1 ZINC001097306732 1017317823 /nfs/dbraw/zinc/31/78/23/1017317823.db2.gz PDZXXVXMSOTVGY-NXHRZFHOSA-N 1 2 355.438 2.669 20 30 FFEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)C2)CC1 ZINC001052122239 1017325687 /nfs/dbraw/zinc/32/56/87/1017325687.db2.gz PRGZJTTTWAYNDS-PCCBWWKXSA-N 1 2 371.500 2.724 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)CCC(C)C ZINC001110899804 1017648264 /nfs/dbraw/zinc/64/82/64/1017648264.db2.gz QWCGXZFGGXJUAR-TVFCKZIOSA-N 1 2 363.546 2.861 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)CCC(C)C ZINC001110899804 1017648273 /nfs/dbraw/zinc/64/82/73/1017648273.db2.gz QWCGXZFGGXJUAR-TVFCKZIOSA-N 1 2 363.546 2.861 20 30 FFEDLO CC(C)n1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)c1 ZINC001097581858 1017664090 /nfs/dbraw/zinc/66/40/90/1017664090.db2.gz RVFQLKQUIPEISU-SBHAEUEKSA-N 1 2 362.477 2.851 20 30 FFEDLO CC(C)n1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)c1 ZINC001097581858 1017664094 /nfs/dbraw/zinc/66/40/94/1017664094.db2.gz RVFQLKQUIPEISU-SBHAEUEKSA-N 1 2 362.477 2.851 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)c1cnco1 ZINC001097600557 1017689341 /nfs/dbraw/zinc/68/93/41/1017689341.db2.gz TYLKQUCMQNZRDL-ZACQAIPSSA-N 1 2 355.825 2.715 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)c1cnco1 ZINC001097600557 1017689348 /nfs/dbraw/zinc/68/93/48/1017689348.db2.gz TYLKQUCMQNZRDL-ZACQAIPSSA-N 1 2 355.825 2.715 20 30 FFEDLO CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 ZINC000926113863 1017971380 /nfs/dbraw/zinc/97/13/80/1017971380.db2.gz BPDPYSVEDNGCEN-RHSMWYFYSA-N 1 2 352.442 2.577 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1Nc1ncccc1C#N ZINC001052722179 1018058947 /nfs/dbraw/zinc/05/89/47/1018058947.db2.gz FFVAURSGOMJJMU-HZPDHXFCSA-N 1 2 366.469 2.529 20 30 FFEDLO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000926277233 1018072614 /nfs/dbraw/zinc/07/26/14/1018072614.db2.gz XQCHZRQFNUBGHJ-DLBZAZTESA-N 1 2 350.422 2.623 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001057947917 1018181832 /nfs/dbraw/zinc/18/18/32/1018181832.db2.gz YFRMGPJSTSJVSU-SJORKVTESA-N 1 2 358.486 2.585 20 30 FFEDLO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1ccncc1)c1cccc(C#N)c1O ZINC000926696825 1018218514 /nfs/dbraw/zinc/21/85/14/1018218514.db2.gz PWGMUFFDHMEISZ-HQRMLTQVSA-N 1 2 364.449 2.919 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C)n(C)n4)C[C@H]32)CCCC1 ZINC001222142083 1032785068 /nfs/dbraw/zinc/78/50/68/1032785068.db2.gz FWSLDEKLXHMVPK-IEBWSBKVSA-N 1 2 356.514 2.898 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C)n(C)n4)C[C@H]32)CCCC1 ZINC001222142083 1032785083 /nfs/dbraw/zinc/78/50/83/1032785083.db2.gz FWSLDEKLXHMVPK-IEBWSBKVSA-N 1 2 356.514 2.898 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(F)(F)c1ccccc1C#N ZINC000901140490 1018766921 /nfs/dbraw/zinc/76/69/21/1018766921.db2.gz SYMFPOFLGSCNRN-UHFFFAOYSA-N 1 2 372.375 2.829 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001067630137 1019099196 /nfs/dbraw/zinc/09/91/96/1019099196.db2.gz XHDWOFPDNDPLNB-MSOLQXFVSA-N 1 2 370.497 2.585 20 30 FFEDLO Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)c3c(C)cc(C)[nH+]c3C)C2)c1C#N ZINC001042683829 1019102347 /nfs/dbraw/zinc/10/23/47/1019102347.db2.gz QXCHLJIIQCMEJW-BDJLRTHQSA-N 1 2 369.494 2.898 20 30 FFEDLO Cn1cncc1/C=C1\CC2(CCOCC2)C/C(=C\c2c[nH+]cn2C)C1=O ZINC000901480282 1019133083 /nfs/dbraw/zinc/13/30/83/1019133083.db2.gz AOSZLLZNEWBTBD-BGPOSVGRSA-N 1 2 352.438 2.780 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCC(C)CC1 ZINC001110966764 1019381759 /nfs/dbraw/zinc/38/17/59/1019381759.db2.gz FNTVBQGRIQEDAB-JIARVOFWSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCC(C)CC1 ZINC001110966764 1019381774 /nfs/dbraw/zinc/38/17/74/1019381774.db2.gz FNTVBQGRIQEDAB-JIARVOFWSA-N 1 2 361.530 2.759 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)c(C)o1 ZINC001098091875 1019434907 /nfs/dbraw/zinc/43/49/07/1019434907.db2.gz NEULEYHZUMDLKK-NXHRZFHOSA-N 1 2 368.412 2.838 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)c(C)o1 ZINC001098091875 1019434914 /nfs/dbraw/zinc/43/49/14/1019434914.db2.gz NEULEYHZUMDLKK-NXHRZFHOSA-N 1 2 368.412 2.838 20 30 FFEDLO CCn1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)c1C ZINC001096225618 1019472017 /nfs/dbraw/zinc/47/20/17/1019472017.db2.gz FOCMSGMYJNSQSH-GIVPXCGWSA-N 1 2 362.477 2.598 20 30 FFEDLO CCn1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)c1C ZINC001096225618 1019472023 /nfs/dbraw/zinc/47/20/23/1019472023.db2.gz FOCMSGMYJNSQSH-GIVPXCGWSA-N 1 2 362.477 2.598 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC001043923667 1019604574 /nfs/dbraw/zinc/60/45/74/1019604574.db2.gz RCMYISVYFVYPCB-RLLQIKCJSA-N 1 2 358.457 2.937 20 30 FFEDLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)CCCOC1 ZINC001096252705 1019625051 /nfs/dbraw/zinc/62/50/51/1019625051.db2.gz VVBWORUYASWYLZ-BOFXEDATSA-N 1 2 371.456 2.736 20 30 FFEDLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)CCCOC1 ZINC001096252705 1019625060 /nfs/dbraw/zinc/62/50/60/1019625060.db2.gz VVBWORUYASWYLZ-BOFXEDATSA-N 1 2 371.456 2.736 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCCN(CC)c1nc(C)[nH+]c(C)c1C ZINC001095977272 1019675809 /nfs/dbraw/zinc/67/58/09/1019675809.db2.gz VETAIPPSIHRVHE-MSOLQXFVSA-N 1 2 360.502 2.716 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H](CNc3cc[nH+]c(C)n3)[C@H](OCC)C2)CC1 ZINC001047931281 1019708911 /nfs/dbraw/zinc/70/89/11/1019708911.db2.gz LNCQTSORFRUHIF-QZTJIDSGSA-N 1 2 358.486 2.807 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1)C(C)C ZINC001110983039 1019904476 /nfs/dbraw/zinc/90/44/76/1019904476.db2.gz DEPIKVHSSOZODE-YSHGAJCASA-N 1 2 359.445 2.590 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1)C(C)C ZINC001110983039 1019904487 /nfs/dbraw/zinc/90/44/87/1019904487.db2.gz DEPIKVHSSOZODE-YSHGAJCASA-N 1 2 359.445 2.590 20 30 FFEDLO C[C@H](c1cccc(NC(=O)NCc2nc(C#N)cs2)c1)[NH+]1CCOCC1 ZINC000930229207 1019935012 /nfs/dbraw/zinc/93/50/12/1019935012.db2.gz QYIFEKONWWUIDL-CYBMUJFWSA-N 1 2 371.466 2.730 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1ccco1 ZINC001110984232 1019946745 /nfs/dbraw/zinc/94/67/45/1019946745.db2.gz ATMARXCMVHRTIA-LAVAIGHBSA-N 1 2 373.497 2.562 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1ccco1 ZINC001110984232 1019946755 /nfs/dbraw/zinc/94/67/55/1019946755.db2.gz ATMARXCMVHRTIA-LAVAIGHBSA-N 1 2 373.497 2.562 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccoc3)n2CCc2ccccc2)CC1 ZINC000802285657 1019964879 /nfs/dbraw/zinc/96/48/79/1019964879.db2.gz GYTIABQJICQLMP-UHFFFAOYSA-N 1 2 361.449 2.536 20 30 FFEDLO COC(=O)c1cccc(COC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1C#N ZINC000780088167 1020002905 /nfs/dbraw/zinc/00/29/05/1020002905.db2.gz OCZRQZLCEVWFHI-GOSISDBHSA-N 1 2 352.390 2.691 20 30 FFEDLO COc1ccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(C#N)c1 ZINC001137698407 1032875720 /nfs/dbraw/zinc/87/57/20/1032875720.db2.gz VZEBVYAGRRRYGL-UHFFFAOYSA-N 1 2 365.433 2.613 20 30 FFEDLO NC(=NOCc1cc(F)ccc1F)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000725793311 1020259601 /nfs/dbraw/zinc/25/96/01/1020259601.db2.gz ZMCOYVPWVHJGRK-UHFFFAOYSA-N 1 2 361.392 2.634 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)no1 ZINC001096377900 1020281308 /nfs/dbraw/zinc/28/13/08/1020281308.db2.gz DVMRXIYFRPWTGO-KPFFTGBYSA-N 1 2 367.424 2.763 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)no1 ZINC001096377900 1020281315 /nfs/dbraw/zinc/28/13/15/1020281315.db2.gz DVMRXIYFRPWTGO-KPFFTGBYSA-N 1 2 367.424 2.763 20 30 FFEDLO Cc1cnoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001098140334 1020285562 /nfs/dbraw/zinc/28/55/62/1020285562.db2.gz GKFQMZPHPAXKAK-KURKYZTESA-N 1 2 353.397 2.509 20 30 FFEDLO Cc1cnoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001098140334 1020285571 /nfs/dbraw/zinc/28/55/71/1020285571.db2.gz GKFQMZPHPAXKAK-KURKYZTESA-N 1 2 353.397 2.509 20 30 FFEDLO C[C@@H](c1ccccc1F)[N@@H+]1C[C@H]2OCCN(C(=O)C#CC(C)(C)C)[C@H]2C1 ZINC001217860692 1032891823 /nfs/dbraw/zinc/89/18/23/1032891823.db2.gz HPQJCQPSTLDTFN-ZYSHUDEJSA-N 1 2 358.457 2.848 20 30 FFEDLO C[C@@H](c1ccccc1F)[N@H+]1C[C@H]2OCCN(C(=O)C#CC(C)(C)C)[C@H]2C1 ZINC001217860692 1032891834 /nfs/dbraw/zinc/89/18/34/1032891834.db2.gz HPQJCQPSTLDTFN-ZYSHUDEJSA-N 1 2 358.457 2.848 20 30 FFEDLO Cn1cc[nH+]c1CCCOC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000802784749 1020402771 /nfs/dbraw/zinc/40/27/71/1020402771.db2.gz FXRUPXJKAGHRDA-UHFFFAOYSA-N 1 2 363.421 2.987 20 30 FFEDLO C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1cc(C#N)ccn1 ZINC000902766436 1020462744 /nfs/dbraw/zinc/46/27/44/1020462744.db2.gz KRVSQDVTEZZMBN-CQSZACIVSA-N 1 2 372.494 2.881 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C)CC1 ZINC000800761986 1020528558 /nfs/dbraw/zinc/52/85/58/1020528558.db2.gz ANXMZAVMQLORSN-UHFFFAOYSA-N 1 2 367.497 2.581 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C)CC1 ZINC000800769415 1020534847 /nfs/dbraw/zinc/53/48/47/1020534847.db2.gz SDCBOYXRHZVDID-UHFFFAOYSA-N 1 2 367.497 2.662 20 30 FFEDLO C/C(=C/C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)C[NH+]1CCOCC1 ZINC000900643982 1020560868 /nfs/dbraw/zinc/56/08/68/1020560868.db2.gz PZBLHSPLERYFCF-OVHOFWQVSA-N 1 2 367.371 2.665 20 30 FFEDLO COCCN(C)c1ccc(C=[NH+]Nc2cccc(F)c2C(=O)OC)cn1 ZINC000800818046 1020568838 /nfs/dbraw/zinc/56/88/38/1020568838.db2.gz FDWSHEVPLDROOS-UHFFFAOYSA-N 1 2 360.389 2.536 20 30 FFEDLO N#Cc1c(F)cccc1N(CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001096086720 1020574300 /nfs/dbraw/zinc/57/43/00/1020574300.db2.gz PPLWQSMFGOUDRX-HUUCEWRRSA-N 1 2 367.428 2.699 20 30 FFEDLO N#Cc1c(F)cccc1N(CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001096086720 1020574307 /nfs/dbraw/zinc/57/43/07/1020574307.db2.gz PPLWQSMFGOUDRX-HUUCEWRRSA-N 1 2 367.428 2.699 20 30 FFEDLO Cc1nc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)no1 ZINC000931944477 1020638987 /nfs/dbraw/zinc/63/89/87/1020638987.db2.gz HFKGEYLFZCALOJ-GOEBONIOSA-N 1 2 353.426 2.503 20 30 FFEDLO Cc1nc([C@@H]2CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)no1 ZINC000931944477 1020638992 /nfs/dbraw/zinc/63/89/92/1020638992.db2.gz HFKGEYLFZCALOJ-GOEBONIOSA-N 1 2 353.426 2.503 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncoc1C1CC1)C2 ZINC001098160409 1020698672 /nfs/dbraw/zinc/69/86/72/1020698672.db2.gz FARQKFBMLMIXBL-KURKYZTESA-N 1 2 362.433 2.959 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncoc1C1CC1)C2 ZINC001098160409 1020698676 /nfs/dbraw/zinc/69/86/76/1020698676.db2.gz FARQKFBMLMIXBL-KURKYZTESA-N 1 2 362.433 2.959 20 30 FFEDLO C#CCN(C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C1CSC1 ZINC000903142456 1020701065 /nfs/dbraw/zinc/70/10/65/1020701065.db2.gz LCXGVQVDDDHHGM-HZPDHXFCSA-N 1 2 373.522 2.878 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3ccn(C)n3)C2)c(C#N)c1C ZINC000932136296 1020717073 /nfs/dbraw/zinc/71/70/73/1020717073.db2.gz ZHXUQKKTFYHHNK-DZGCQCFKSA-N 1 2 355.442 2.708 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3ccn(C)n3)C2)c(C#N)c1C ZINC000932136296 1020717078 /nfs/dbraw/zinc/71/70/78/1020717078.db2.gz ZHXUQKKTFYHHNK-DZGCQCFKSA-N 1 2 355.442 2.708 20 30 FFEDLO Cn1ccc([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)n1 ZINC000932139059 1020719677 /nfs/dbraw/zinc/71/96/77/1020719677.db2.gz ZWYRMBOKKDDVSN-HNNXBMFYSA-N 1 2 369.494 2.854 20 30 FFEDLO Cn1ccc([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)n1 ZINC000932139059 1020719685 /nfs/dbraw/zinc/71/96/85/1020719685.db2.gz ZWYRMBOKKDDVSN-HNNXBMFYSA-N 1 2 369.494 2.854 20 30 FFEDLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC(C#N)(C(=O)OC)CC1 ZINC000828965854 1032926595 /nfs/dbraw/zinc/92/65/95/1032926595.db2.gz XTBJFLFZLNNBMG-UHFFFAOYSA-N 1 2 367.405 2.695 20 30 FFEDLO Cn1cc[nH+]c1C[C@H](NC(=O)N[C@@H](CC#N)C(F)(F)F)c1ccccc1 ZINC000932893897 1020920495 /nfs/dbraw/zinc/92/04/95/1020920495.db2.gz PIZMWFXCUVUCRI-KBPBESRZSA-N 1 2 365.359 2.848 20 30 FFEDLO Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933625741 1021051607 /nfs/dbraw/zinc/05/16/07/1021051607.db2.gz RTQQYDGPDMHIGR-TZIWHRDSSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933625741 1021051612 /nfs/dbraw/zinc/05/16/12/1021051612.db2.gz RTQQYDGPDMHIGR-TZIWHRDSSA-N 1 2 352.434 2.680 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@H+](C[C@@H]3CCC4(CCOCC4)CO3)CCO2)cc1 ZINC000933629414 1021054282 /nfs/dbraw/zinc/05/42/82/1021054282.db2.gz BQNPULMZDLTSPK-VQTJNVASSA-N 1 2 356.466 2.907 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@@H+](C[C@@H]3CCC4(CCOCC4)CO3)CCO2)cc1 ZINC000933629414 1021054288 /nfs/dbraw/zinc/05/42/88/1021054288.db2.gz BQNPULMZDLTSPK-VQTJNVASSA-N 1 2 356.466 2.907 20 30 FFEDLO O=C1C=COC2(CC[NH+](Cc3ccn(-c4ccc(F)cc4F)n3)CC2)C1 ZINC000933646743 1021057450 /nfs/dbraw/zinc/05/74/50/1021057450.db2.gz OGUBYLAKDGVCBJ-UHFFFAOYSA-N 1 2 359.376 2.988 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(C)n2)C1 ZINC001098731809 1021086843 /nfs/dbraw/zinc/08/68/43/1021086843.db2.gz SGQKMEOMRWLANU-YOEHRIQHSA-N 1 2 364.287 2.883 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(C)n2)C1 ZINC001098731809 1021086845 /nfs/dbraw/zinc/08/68/45/1021086845.db2.gz SGQKMEOMRWLANU-YOEHRIQHSA-N 1 2 364.287 2.883 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(F)nc2)C1 ZINC001098755355 1021115054 /nfs/dbraw/zinc/11/50/54/1021115054.db2.gz CFPDUOMEUGQECQ-BBRMVZONSA-N 1 2 368.250 2.714 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(F)nc2)C1 ZINC001098755355 1021115055 /nfs/dbraw/zinc/11/50/55/1021115055.db2.gz CFPDUOMEUGQECQ-BBRMVZONSA-N 1 2 368.250 2.714 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ncoc2CC)C1 ZINC001098760940 1021119763 /nfs/dbraw/zinc/11/97/63/1021119763.db2.gz LXIHNFILZBIQLF-LRDDRELGSA-N 1 2 368.275 2.730 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ncoc2CC)C1 ZINC001098760940 1021119765 /nfs/dbraw/zinc/11/97/65/1021119765.db2.gz LXIHNFILZBIQLF-LRDDRELGSA-N 1 2 368.275 2.730 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)c1ccco1 ZINC001111072588 1021193483 /nfs/dbraw/zinc/19/34/83/1021193483.db2.gz NZFRWGCUVYHVBM-VQHPVUNQSA-N 1 2 373.497 2.781 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)c1ccco1 ZINC001111072588 1021193488 /nfs/dbraw/zinc/19/34/88/1021193488.db2.gz NZFRWGCUVYHVBM-VQHPVUNQSA-N 1 2 373.497 2.781 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC(C)(C)C ZINC001111072802 1021196078 /nfs/dbraw/zinc/19/60/78/1021196078.db2.gz UDDFPTJKSARUIK-ZACQAIPSSA-N 1 2 363.546 2.863 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC(C)(C)C ZINC001111072802 1021196089 /nfs/dbraw/zinc/19/60/89/1021196089.db2.gz UDDFPTJKSARUIK-ZACQAIPSSA-N 1 2 363.546 2.863 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1nc(C)no1)C2 ZINC001098876639 1021292826 /nfs/dbraw/zinc/29/28/26/1021292826.db2.gz QAIZPZXKVUFTFM-UVFQYZLESA-N 1 2 369.469 2.711 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1nc(C)no1)C2 ZINC001098876639 1021292831 /nfs/dbraw/zinc/29/28/31/1021292831.db2.gz QAIZPZXKVUFTFM-UVFQYZLESA-N 1 2 369.469 2.711 20 30 FFEDLO Cc1cc(C)c(C(=O)NC[C@]23CCC[C@H]2CN(C(=O)[C@H](C)C#N)C3)c(C)[nH+]1 ZINC001009539327 1021395819 /nfs/dbraw/zinc/39/58/19/1021395819.db2.gz RFTQICQVLQXCRT-FNXXIHLHSA-N 1 2 368.481 2.525 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c(C)n[nH]c1C)C2 ZINC001111422586 1021526001 /nfs/dbraw/zinc/52/60/01/1021526001.db2.gz QZZUOKVRICBYEY-AIPUMIGSSA-N 1 2 350.894 2.679 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c(C)n[nH]c1C)C2 ZINC001111422586 1021526012 /nfs/dbraw/zinc/52/60/12/1021526012.db2.gz QZZUOKVRICBYEY-AIPUMIGSSA-N 1 2 350.894 2.679 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015816376 1021960456 /nfs/dbraw/zinc/96/04/56/1021960456.db2.gz KQMWUAOVAGUYEP-HBFSDRIKSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015816376 1021960464 /nfs/dbraw/zinc/96/04/64/1021960464.db2.gz KQMWUAOVAGUYEP-HBFSDRIKSA-N 1 2 371.456 2.759 20 30 FFEDLO CN1CCC[C@@H](O[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)C1=O ZINC000778592835 1022143461 /nfs/dbraw/zinc/14/34/61/1022143461.db2.gz RWFZQZAFEAHYGG-GOSISDBHSA-N 1 2 353.422 2.523 20 30 FFEDLO C=CCc1cc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc(OC)c1OC ZINC000115598817 1022339011 /nfs/dbraw/zinc/33/90/11/1022339011.db2.gz ILVCBIAXPZLFJL-IBGZPJMESA-N 1 2 365.433 2.620 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(O)ccc1Cl ZINC001111487185 1022362588 /nfs/dbraw/zinc/36/25/88/1022362588.db2.gz CHEYSMDFIYFBTJ-OLMNPRSZSA-N 1 2 364.873 2.860 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(O)ccc1Cl ZINC001111487185 1022362601 /nfs/dbraw/zinc/36/26/01/1022362601.db2.gz CHEYSMDFIYFBTJ-OLMNPRSZSA-N 1 2 364.873 2.860 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3csc(COC)n3)[C@H]2C1 ZINC001222614124 1033076334 /nfs/dbraw/zinc/07/63/34/1033076334.db2.gz ZJZZKGWHJCUYIP-WBVHZDCISA-N 1 2 361.511 2.516 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3csc(COC)n3)[C@H]2C1 ZINC001222614124 1033076348 /nfs/dbraw/zinc/07/63/48/1033076348.db2.gz ZJZZKGWHJCUYIP-WBVHZDCISA-N 1 2 361.511 2.516 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)C2 ZINC001095779732 1022835644 /nfs/dbraw/zinc/83/56/44/1022835644.db2.gz BWFMADDYUVUUCH-LEKSSAKUSA-N 1 2 365.477 2.595 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)C2 ZINC001095779732 1022835660 /nfs/dbraw/zinc/83/56/60/1022835660.db2.gz BWFMADDYUVUUCH-LEKSSAKUSA-N 1 2 365.477 2.595 20 30 FFEDLO CN1CCc2cc(C=[NH+]Nc3ccc(S(=O)(=O)NC4CC4)cc3)ccc21 ZINC000752728408 1023197998 /nfs/dbraw/zinc/19/79/98/1023197998.db2.gz SCRAWHVSEFPCRU-UHFFFAOYSA-N 1 2 370.478 2.566 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](OCC)C3CC3)C[C@@H]21 ZINC001222688788 1033116076 /nfs/dbraw/zinc/11/60/76/1033116076.db2.gz CTYWDAZJKXJLNO-VNQPRFMTSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](OCC)C3CC3)C[C@@H]21 ZINC001222688788 1033116083 /nfs/dbraw/zinc/11/60/83/1033116083.db2.gz CTYWDAZJKXJLNO-VNQPRFMTSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C ZINC001122400212 1023245310 /nfs/dbraw/zinc/24/53/10/1023245310.db2.gz OADLUEPWYUXDQX-CVEARBPZSA-N 1 2 372.517 2.818 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCS[C@H](C)C1 ZINC001122442194 1023272023 /nfs/dbraw/zinc/27/20/23/1023272023.db2.gz YWNNFARHCIRVHS-MRXNPFEDSA-N 1 2 374.558 2.889 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001122529886 1023321687 /nfs/dbraw/zinc/32/16/87/1023321687.db2.gz QYWSEHPQSPSSPU-IHRRRGAJSA-N 1 2 373.423 2.777 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001122529886 1023321693 /nfs/dbraw/zinc/32/16/93/1023321693.db2.gz QYWSEHPQSPSSPU-IHRRRGAJSA-N 1 2 373.423 2.777 20 30 FFEDLO CCOCCCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@H](CC#N)C1 ZINC001122606362 1023363922 /nfs/dbraw/zinc/36/39/22/1023363922.db2.gz PQPCVLIEPGQKFV-SJORKVTESA-N 1 2 360.506 2.601 20 30 FFEDLO CCOCCCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@H](CC#N)C1 ZINC001122606362 1023363925 /nfs/dbraw/zinc/36/39/25/1023363925.db2.gz PQPCVLIEPGQKFV-SJORKVTESA-N 1 2 360.506 2.601 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N(CC)Cc1cnn(C)c1 ZINC001122622431 1023375714 /nfs/dbraw/zinc/37/57/14/1023375714.db2.gz CCDRBKOUDASKAI-QGZVFWFLSA-N 1 2 357.506 2.771 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N(CC)Cc1cnn(C)c1 ZINC001122622431 1023375721 /nfs/dbraw/zinc/37/57/21/1023375721.db2.gz CCDRBKOUDASKAI-QGZVFWFLSA-N 1 2 357.506 2.771 20 30 FFEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC000948969591 1023427911 /nfs/dbraw/zinc/42/79/11/1023427911.db2.gz KKQFFYNIPVBUBZ-ACRUOGEOSA-N 1 2 352.478 2.707 20 30 FFEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC000948969591 1023427917 /nfs/dbraw/zinc/42/79/17/1023427917.db2.gz KKQFFYNIPVBUBZ-ACRUOGEOSA-N 1 2 352.478 2.707 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc([C@]3(C)C[C@@H](O)C[N@@H+]3C)n2CC(C)C)C1 ZINC001122738778 1023440687 /nfs/dbraw/zinc/44/06/87/1023440687.db2.gz GGSAQQXXTDURNC-HLIPFELVSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc([C@]3(C)C[C@@H](O)C[N@H+]3C)n2CC(C)C)C1 ZINC001122738778 1023440692 /nfs/dbraw/zinc/44/06/92/1023440692.db2.gz GGSAQQXXTDURNC-HLIPFELVSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCN(CC(=O)OCC)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000755608805 1023614558 /nfs/dbraw/zinc/61/45/58/1023614558.db2.gz JHWHKINXQMICKZ-UHFFFAOYSA-N 1 2 368.437 2.588 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001121492555 1023808392 /nfs/dbraw/zinc/80/83/92/1023808392.db2.gz KSKZKLFVHWVVGB-SQNIBIBYSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001121492555 1023808400 /nfs/dbraw/zinc/80/84/00/1023808400.db2.gz KSKZKLFVHWVVGB-SQNIBIBYSA-N 1 2 359.518 2.872 20 30 FFEDLO O=C(Cc1cccs1)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001123461755 1023814375 /nfs/dbraw/zinc/81/43/75/1023814375.db2.gz FMTHWOIACCAPKO-UHFFFAOYSA-N 1 2 361.488 2.779 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCc2sccc2[C@H]1CC ZINC001121510812 1023818845 /nfs/dbraw/zinc/81/88/45/1023818845.db2.gz UEOCYUBMDHGFFH-BMFZPTHFSA-N 1 2 373.526 2.777 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCc2sccc2[C@H]1CC ZINC001121510812 1023818849 /nfs/dbraw/zinc/81/88/49/1023818849.db2.gz UEOCYUBMDHGFFH-BMFZPTHFSA-N 1 2 373.526 2.777 20 30 FFEDLO C=CCn1c([C@H]2CC=CCC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001121703314 1023935831 /nfs/dbraw/zinc/93/58/31/1023935831.db2.gz ZEFJZWSXSPZVOC-KRWDZBQOSA-N 1 2 365.485 2.713 20 30 FFEDLO CCN(CC1CC[NH+](Cn2cccc(C#N)c2=O)CC1)C(=O)OC(C)(C)C ZINC000758230810 1023980921 /nfs/dbraw/zinc/98/09/21/1023980921.db2.gz JFXANOOIEKDTPW-UHFFFAOYSA-N 1 2 374.485 2.646 20 30 FFEDLO CN(CCC1CC[NH+](Cn2cccc(C#N)c2=O)CC1)C(=O)OC(C)(C)C ZINC000758248081 1023994082 /nfs/dbraw/zinc/99/40/82/1023994082.db2.gz JSPANCPVBNYRKC-UHFFFAOYSA-N 1 2 374.485 2.646 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc(Cc2[nH+]ccn2C)n1CCc1ccccc1 ZINC001122185494 1024415666 /nfs/dbraw/zinc/41/56/66/1024415666.db2.gz UDIDNSQBTWSREE-LJQANCHMSA-N 1 2 374.492 2.837 20 30 FFEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccccc3F)n(CC=C)c2=S)CC1 ZINC000193257120 1024462753 /nfs/dbraw/zinc/46/27/53/1024462753.db2.gz PBVUXWORSQVLCI-UHFFFAOYSA-N 1 2 371.485 2.614 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CC4)nn3C)C[C@@]2(C)C1 ZINC001101338078 1024488788 /nfs/dbraw/zinc/48/87/88/1024488788.db2.gz WLYLHDKVWGADGV-XPIZARPCSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CC4)nn3C)C[C@@]2(C)C1 ZINC001101338078 1024488797 /nfs/dbraw/zinc/48/87/97/1024488797.db2.gz WLYLHDKVWGADGV-XPIZARPCSA-N 1 2 371.529 2.575 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C5CC5)[nH]4)C[C@@]3(C)C2)CC1 ZINC001101353805 1024529274 /nfs/dbraw/zinc/52/92/74/1024529274.db2.gz FWPMAEWIDTVQIE-UZLBHIALSA-N 1 2 369.513 2.709 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C5CC5)[nH]4)C[C@@]3(C)C2)CC1 ZINC001101353805 1024529279 /nfs/dbraw/zinc/52/92/79/1024529279.db2.gz FWPMAEWIDTVQIE-UZLBHIALSA-N 1 2 369.513 2.709 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(s1)CC[C@H](C)C3)C2 ZINC001111383403 1024635802 /nfs/dbraw/zinc/63/58/02/1024635802.db2.gz IOEXGQREUUIXGI-HPBDAGMYSA-N 1 2 372.534 2.858 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(s1)CC[C@H](C)C3)C2 ZINC001111383403 1024635810 /nfs/dbraw/zinc/63/58/10/1024635810.db2.gz IOEXGQREUUIXGI-HPBDAGMYSA-N 1 2 372.534 2.858 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](Cc2ccc(OC)cc2)C1 ZINC000953830736 1025361176 /nfs/dbraw/zinc/36/11/76/1025361176.db2.gz IDCWTCDWXPTSRU-PMACEKPBSA-N 1 2 358.482 2.709 20 30 FFEDLO N#Cc1c(N)sc(C[N@@H+]2CCCN(Cc3ccncc3)CC2)c1Cl ZINC001141109282 1025468338 /nfs/dbraw/zinc/46/83/38/1025468338.db2.gz OSOSABYWSGCMFX-UHFFFAOYSA-N 1 2 361.902 2.958 20 30 FFEDLO N#Cc1c(N)sc(C[N@H+]2CCCN(Cc3ccncc3)CC2)c1Cl ZINC001141109282 1025468346 /nfs/dbraw/zinc/46/83/46/1025468346.db2.gz OSOSABYWSGCMFX-UHFFFAOYSA-N 1 2 361.902 2.958 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@@H](NC(=O)CC2CC2)[C@H]2OCCC[C@H]2C1 ZINC001141164020 1025548124 /nfs/dbraw/zinc/54/81/24/1025548124.db2.gz YVJHCRNTAVFRIS-SCWSEQNSSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@@H](NC(=O)CC2CC2)[C@H]2OCCC[C@H]2C1 ZINC001141164020 1025548138 /nfs/dbraw/zinc/54/81/38/1025548138.db2.gz YVJHCRNTAVFRIS-SCWSEQNSSA-N 1 2 371.456 2.593 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2nn(C)cc2Cl)C[C@H]1C ZINC001102262970 1025660602 /nfs/dbraw/zinc/66/06/02/1025660602.db2.gz QUQMOUVDJPJWHH-QLFBSQMISA-N 1 2 352.910 2.860 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2nn(C)cc2Cl)C[C@H]1C ZINC001102262970 1025660605 /nfs/dbraw/zinc/66/06/05/1025660605.db2.gz QUQMOUVDJPJWHH-QLFBSQMISA-N 1 2 352.910 2.860 20 30 FFEDLO C=CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2noc(-c3ccoc3)n2)C[C@H]1C ZINC001102298000 1025711040 /nfs/dbraw/zinc/71/10/40/1025711040.db2.gz IUAJDFUULNGQQJ-GDBMZVCRSA-N 1 2 358.442 2.870 20 30 FFEDLO C=CCCCC(=O)NC[C@@H]1C[N@H+](Cc2noc(-c3ccoc3)n2)C[C@H]1C ZINC001102298000 1025711059 /nfs/dbraw/zinc/71/10/59/1025711059.db2.gz IUAJDFUULNGQQJ-GDBMZVCRSA-N 1 2 358.442 2.870 20 30 FFEDLO C=CCCOCC(=O)NC[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001102609113 1026421641 /nfs/dbraw/zinc/42/16/41/1026421641.db2.gz JPUMSEQNUOKYBZ-CHWSQXEVSA-N 1 2 357.907 2.573 20 30 FFEDLO C=CCCOCC(=O)NC[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001102609113 1026421645 /nfs/dbraw/zinc/42/16/45/1026421645.db2.gz JPUMSEQNUOKYBZ-CHWSQXEVSA-N 1 2 357.907 2.573 20 30 FFEDLO CCOC(=O)CC(C)(C)C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000838799176 1026508862 /nfs/dbraw/zinc/50/88/62/1026508862.db2.gz ZIJAWLUVOZKTLD-UHFFFAOYSA-N 1 2 360.458 2.525 20 30 FFEDLO COc1ccc(CNC(=S)NN=C2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000839394592 1026665179 /nfs/dbraw/zinc/66/51/79/1026665179.db2.gz NXTSQVDPJBBCNC-UHFFFAOYSA-N 1 2 368.506 2.921 20 30 FFEDLO COc1ccc(CNC(=S)NN=C2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000839394592 1026665190 /nfs/dbraw/zinc/66/51/90/1026665190.db2.gz NXTSQVDPJBBCNC-UHFFFAOYSA-N 1 2 368.506 2.921 20 30 FFEDLO C#CCCCCC(=O)NCC[C@@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001102883651 1026751303 /nfs/dbraw/zinc/75/13/03/1026751303.db2.gz WDRGGKFJKBCODG-ZIAGYGMSSA-N 1 2 368.428 2.775 20 30 FFEDLO C#CCCCCC(=O)NCC[C@@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001102883651 1026751315 /nfs/dbraw/zinc/75/13/15/1026751315.db2.gz WDRGGKFJKBCODG-ZIAGYGMSSA-N 1 2 368.428 2.775 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000839627056 1026764627 /nfs/dbraw/zinc/76/46/27/1026764627.db2.gz VYVYNTGKTNNHQT-APWZRJJASA-N 1 2 362.433 2.725 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000839627056 1026764630 /nfs/dbraw/zinc/76/46/30/1026764630.db2.gz VYVYNTGKTNNHQT-APWZRJJASA-N 1 2 362.433 2.725 20 30 FFEDLO C[C@H]1C[NH+](C2CN(Cc3cc(C#N)ccc3Br)C2)C[C@H](C)O1 ZINC001141664537 1026783095 /nfs/dbraw/zinc/78/30/95/1026783095.db2.gz PFWMCMYGJWOYBW-STQMWFEESA-N 1 2 364.287 2.614 20 30 FFEDLO Cc1cnc(N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c(C#N)n1 ZINC001158591808 1027070123 /nfs/dbraw/zinc/07/01/23/1027070123.db2.gz UOHBFGKKUJQJEH-SJLPKXTDSA-N 1 2 365.437 2.528 20 30 FFEDLO Cc1nc(-n2cncn2)cc(N2CCC(C#N)(c3ccccc3F)CC2)[nH+]1 ZINC001158892100 1027178396 /nfs/dbraw/zinc/17/83/96/1027178396.db2.gz LXVNBWPJZJZPJA-UHFFFAOYSA-N 1 2 363.400 2.567 20 30 FFEDLO C=CCNS(=O)(=O)c1ccccc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000641292586 1027205985 /nfs/dbraw/zinc/20/59/85/1027205985.db2.gz GMFNTARQMCXOFA-UHFFFAOYSA-N 1 2 372.494 2.627 20 30 FFEDLO CO[C@H]1C[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C12CCC2 ZINC000840703959 1027220000 /nfs/dbraw/zinc/22/00/00/1027220000.db2.gz LHRBAXPGVLJIIJ-SJORKVTESA-N 1 2 366.465 2.604 20 30 FFEDLO CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1nc(Cl)c(C#N)s1 ZINC001103365091 1027323339 /nfs/dbraw/zinc/32/33/39/1027323339.db2.gz XRXIXFFGMZGXTQ-IVZWLZJFSA-N 1 2 364.862 2.502 20 30 FFEDLO CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1nc(Cl)c(C#N)s1 ZINC001103365091 1027323362 /nfs/dbraw/zinc/32/33/62/1027323362.db2.gz XRXIXFFGMZGXTQ-IVZWLZJFSA-N 1 2 364.862 2.502 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001160156622 1027614245 /nfs/dbraw/zinc/61/42/45/1027614245.db2.gz VGGOOTSOTTZDBC-SJORKVTESA-N 1 2 361.511 2.763 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001160156622 1027614253 /nfs/dbraw/zinc/61/42/53/1027614253.db2.gz VGGOOTSOTTZDBC-SJORKVTESA-N 1 2 361.511 2.763 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2[nH]nc3c2C[C@@H](C)CC3)C1 ZINC001103596356 1027753048 /nfs/dbraw/zinc/75/30/48/1027753048.db2.gz QWCNHGAVJDMPQV-GZBFAFLISA-N 1 2 364.921 2.975 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2[nH]nc3c2C[C@@H](C)CC3)C1 ZINC001103596356 1027753060 /nfs/dbraw/zinc/75/30/60/1027753060.db2.gz QWCNHGAVJDMPQV-GZBFAFLISA-N 1 2 364.921 2.975 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](CN3C[C@@H](C4CC4)CC3=O)CC2)c(F)c1 ZINC000795713712 1027946841 /nfs/dbraw/zinc/94/68/41/1027946841.db2.gz JZLZWNHJCZPBQZ-INIZCTEOSA-N 1 2 357.429 2.757 20 30 FFEDLO CCOC(=O)c1cc(C#N)c(NC(=O)c2cccc3[nH+]ccn32)c(C)c1O ZINC001154523701 1028335833 /nfs/dbraw/zinc/33/58/33/1028335833.db2.gz GYBRLLMGBBSTAH-UHFFFAOYSA-N 1 2 364.361 2.649 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(F)(F)c2ccccc2Br)C1 ZINC001154959487 1028529080 /nfs/dbraw/zinc/52/90/80/1028529080.db2.gz SWGZRZZKQCXMEH-GFCCVEGCSA-N 1 2 371.225 2.755 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)c2ccccc2Br)C1 ZINC001154959487 1028529085 /nfs/dbraw/zinc/52/90/85/1028529085.db2.gz SWGZRZZKQCXMEH-GFCCVEGCSA-N 1 2 371.225 2.755 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)OCC2CC2)C1 ZINC001111640785 1029011486 /nfs/dbraw/zinc/01/14/86/1029011486.db2.gz WCWMMSKXMIJYFI-KMFMINBZSA-N 1 2 371.319 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)OCC2CC2)C1 ZINC001111640785 1029011499 /nfs/dbraw/zinc/01/14/99/1029011499.db2.gz WCWMMSKXMIJYFI-KMFMINBZSA-N 1 2 371.319 2.681 20 30 FFEDLO Cc1ccc(-c2cc(C(F)(F)N3CC[NH2+]C[C@@H]3C#N)c(Cl)nn2)cc1 ZINC001156332050 1029150762 /nfs/dbraw/zinc/15/07/62/1029150762.db2.gz DGSFLNKWKPLMOT-ZDUSSCGKSA-N 1 2 363.799 2.952 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C3CC3)s1)C2 ZINC001111729468 1029254245 /nfs/dbraw/zinc/25/42/45/1029254245.db2.gz QFWXLPRDCLAFSO-KXBFYZLASA-N 1 2 358.511 2.690 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C3CC3)s1)C2 ZINC001111729468 1029254256 /nfs/dbraw/zinc/25/42/56/1029254256.db2.gz QFWXLPRDCLAFSO-KXBFYZLASA-N 1 2 358.511 2.690 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1csc(COC)n1)C2 ZINC001111730017 1029258053 /nfs/dbraw/zinc/25/80/53/1029258053.db2.gz QWWWJVIEQNQHCT-KXBFYZLASA-N 1 2 361.511 2.564 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1csc(COC)n1)C2 ZINC001111730017 1029258066 /nfs/dbraw/zinc/25/80/66/1029258066.db2.gz QWWWJVIEQNQHCT-KXBFYZLASA-N 1 2 361.511 2.564 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(CC(C)C)no1)C2 ZINC001111730684 1029260335 /nfs/dbraw/zinc/26/03/35/1029260335.db2.gz XQKXKTBROBNVBZ-JXFKEZNVSA-N 1 2 358.486 2.542 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(CC(C)C)no1)C2 ZINC001111730684 1029260347 /nfs/dbraw/zinc/26/03/47/1029260347.db2.gz XQKXKTBROBNVBZ-JXFKEZNVSA-N 1 2 358.486 2.542 20 30 FFEDLO CC(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1nc(C3CC3)no1)C2 ZINC001111738915 1029297124 /nfs/dbraw/zinc/29/71/24/1029297124.db2.gz PSJVAWOLHZSCCN-IIMJZQEZSA-N 1 2 356.470 2.638 20 30 FFEDLO CC(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1nc(C3CC3)no1)C2 ZINC001111738915 1029297154 /nfs/dbraw/zinc/29/71/54/1029297154.db2.gz PSJVAWOLHZSCCN-IIMJZQEZSA-N 1 2 356.470 2.638 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2cccc(F)c2)nnc1Cl ZINC001164675608 1029350882 /nfs/dbraw/zinc/35/08/82/1029350882.db2.gz NDVAYCSZUCSJIT-GFCCVEGCSA-N 1 2 367.762 2.783 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(CC)n1C)C2 ZINC001111758054 1029359499 /nfs/dbraw/zinc/35/94/99/1029359499.db2.gz YCDXSJYLWBGQMZ-UWJYYQICSA-N 1 2 371.529 2.617 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(CC)n1C)C2 ZINC001111758054 1029359513 /nfs/dbraw/zinc/35/95/13/1029359513.db2.gz YCDXSJYLWBGQMZ-UWJYYQICSA-N 1 2 371.529 2.617 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3nccc(Cl)c3C#N)CC2)cc1 ZINC001165084719 1029372290 /nfs/dbraw/zinc/37/22/90/1029372290.db2.gz KRUUOFINXMAAQJ-UHFFFAOYSA-N 1 2 370.840 2.715 20 30 FFEDLO CCN(CCn1cc[nH+]c1)c1ccc([C@@H](C#N)c2ccccc2F)nn1 ZINC001157462238 1029589801 /nfs/dbraw/zinc/58/98/01/1029589801.db2.gz FLEQRAFKMGKCFN-INIZCTEOSA-N 1 2 350.401 2.994 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1CCC)C2 ZINC001111850418 1029615667 /nfs/dbraw/zinc/61/56/67/1029615667.db2.gz LWWQWCSSWYOCOK-UWVAXJGDSA-N 1 2 359.518 2.761 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1CCC)C2 ZINC001111850418 1029615670 /nfs/dbraw/zinc/61/56/70/1029615670.db2.gz LWWQWCSSWYOCOK-UWVAXJGDSA-N 1 2 359.518 2.761 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCCOc2cccc(C#N)c2)cc1OC ZINC000782321036 1029655227 /nfs/dbraw/zinc/65/52/27/1029655227.db2.gz MDRQILQSUVOLNE-UHFFFAOYSA-N 1 2 355.394 2.695 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001112017652 1029866796 /nfs/dbraw/zinc/86/67/96/1029866796.db2.gz OAZODCSJJIVQOD-YWMUFLPLSA-N 1 2 371.456 2.759 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001112017652 1029866802 /nfs/dbraw/zinc/86/68/02/1029866802.db2.gz OAZODCSJJIVQOD-YWMUFLPLSA-N 1 2 371.456 2.759 20 30 FFEDLO O=C(C(F)C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C/C=C/Cl)C1 ZINC001112104405 1030015810 /nfs/dbraw/zinc/01/58/10/1030015810.db2.gz HPXFWIDFFFMLME-MSGXPLJYSA-N 1 2 356.669 2.618 20 30 FFEDLO N#Cc1cc(Cl)nc(N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)c1 ZINC001165984153 1030189553 /nfs/dbraw/zinc/18/95/53/1030189553.db2.gz OGBPNKPQQKWAEB-UHFFFAOYSA-N 1 2 369.856 2.877 20 30 FFEDLO CCN(CC)c1ccnc([C@@H]2COCCN2c2[nH+]c(C)ccc2CC#N)n1 ZINC001166430912 1030404883 /nfs/dbraw/zinc/40/48/83/1030404883.db2.gz SMUSVUOTZAZTRE-KRWDZBQOSA-N 1 2 366.469 2.670 20 30 FFEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cn(Cc3cccnc3)nn2)c1 ZINC000784546466 1030677201 /nfs/dbraw/zinc/67/72/01/1030677201.db2.gz WIOWONRZRPSATQ-IBGZPJMESA-N 1 2 362.437 2.692 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](Cc2ccccc2OC)Cc2nnn(CC3CC3)c21 ZINC001203432616 1030695559 /nfs/dbraw/zinc/69/55/59/1030695559.db2.gz SQMYHFVKMMIXGA-GOSISDBHSA-N 1 2 368.481 2.999 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](Cc2ccccc2OC)Cc2nnn(CC3CC3)c21 ZINC001203432616 1030695568 /nfs/dbraw/zinc/69/55/68/1030695568.db2.gz SQMYHFVKMMIXGA-GOSISDBHSA-N 1 2 368.481 2.999 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(OC)c(C(F)(F)F)c2)C1=O ZINC001276416581 1030841580 /nfs/dbraw/zinc/84/15/80/1030841580.db2.gz HMQVYUBMQRHXJH-SFHVURJKSA-N 1 2 366.383 2.914 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(OC)c(C(F)(F)F)c2)C1=O ZINC001276416581 1030841599 /nfs/dbraw/zinc/84/15/99/1030841599.db2.gz HMQVYUBMQRHXJH-SFHVURJKSA-N 1 2 366.383 2.914 20 30 FFEDLO N#Cc1ccc(C[N@H+]2Cc3nccn3C[C@H](COCc3ccccn3)C2)cc1 ZINC001203901557 1030969949 /nfs/dbraw/zinc/96/99/49/1030969949.db2.gz QFOJITNUYRMYOR-HXUWFJFHSA-N 1 2 373.460 2.999 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2Cc3nccn3C[C@H](COCc3ccccn3)C2)cc1 ZINC001203901557 1030969958 /nfs/dbraw/zinc/96/99/58/1030969958.db2.gz QFOJITNUYRMYOR-HXUWFJFHSA-N 1 2 373.460 2.999 20 30 FFEDLO CCOC(=O)c1ncn2c1C[N@H+](Cc1c[nH]c3cc(C#N)ccc13)CCC2 ZINC001142911598 1031041947 /nfs/dbraw/zinc/04/19/47/1031041947.db2.gz BCKJWHBCRAOULC-UHFFFAOYSA-N 1 2 363.421 2.819 20 30 FFEDLO CCOC(=O)c1ncn2c1C[N@@H+](Cc1c[nH]c3cc(C#N)ccc13)CCC2 ZINC001142911598 1031041960 /nfs/dbraw/zinc/04/19/60/1031041960.db2.gz BCKJWHBCRAOULC-UHFFFAOYSA-N 1 2 363.421 2.819 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCN(Cc3ccccc3)[C@H](CO)C2)cc1 ZINC001204297232 1031213228 /nfs/dbraw/zinc/21/32/28/1031213228.db2.gz IWMZOKGMRVUKPT-NRFANRHFSA-N 1 2 352.478 2.930 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCN(Cc3ccccc3)[C@H](CO)C2)cc1 ZINC001204297232 1031213246 /nfs/dbraw/zinc/21/32/46/1031213246.db2.gz IWMZOKGMRVUKPT-NRFANRHFSA-N 1 2 352.478 2.930 20 30 FFEDLO COc1c(O)ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1[N+](=O)[O-] ZINC001205526754 1031807876 /nfs/dbraw/zinc/80/78/76/1031807876.db2.gz GRIDAZNYEXIAMS-UHFFFAOYSA-N 1 2 368.393 2.761 20 30 FFEDLO Cc1cc(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)cc(C)c1C#N ZINC001535344038 1069770890 /nfs/dbraw/zinc/77/08/90/1069770890.db2.gz MNXWYASDVPGEPX-UHFFFAOYSA-N 1 2 371.481 2.711 20 30 FFEDLO N#Cc1cc(C(=O)Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)ccc1O ZINC001219461066 1033656822 /nfs/dbraw/zinc/65/68/22/1033656822.db2.gz FTQHTVDSDPBNEB-KRWDZBQOSA-N 1 2 373.359 2.892 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(Cl)c2)C[C@@H]1O ZINC001220205689 1034046001 /nfs/dbraw/zinc/04/60/01/1034046001.db2.gz JAHPBHBSTXTXIC-XYPHTWIQSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(Cl)c2)C[C@@H]1O ZINC001220205689 1034046011 /nfs/dbraw/zinc/04/60/11/1034046011.db2.gz JAHPBHBSTXTXIC-XYPHTWIQSA-N 1 2 366.889 2.612 20 30 FFEDLO CCCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220253926 1034072957 /nfs/dbraw/zinc/07/29/57/1034072957.db2.gz DFEFGGAEXYYJMV-MSOLQXFVSA-N 1 2 362.901 2.679 20 30 FFEDLO CCCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220253926 1034072970 /nfs/dbraw/zinc/07/29/70/1034072970.db2.gz DFEFGGAEXYYJMV-MSOLQXFVSA-N 1 2 362.901 2.679 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3sccc3Cl)C[C@@H]2O)CCC1 ZINC001220278858 1034093462 /nfs/dbraw/zinc/09/34/62/1034093462.db2.gz NZXGDGQYQDNJLE-KGLIPLIRSA-N 1 2 354.903 2.809 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3sccc3Cl)C[C@@H]2O)CCC1 ZINC001220278858 1034093472 /nfs/dbraw/zinc/09/34/72/1034093472.db2.gz NZXGDGQYQDNJLE-KGLIPLIRSA-N 1 2 354.903 2.809 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(Cl)c2)C[C@@H]1O ZINC001220292132 1034101942 /nfs/dbraw/zinc/10/19/42/1034101942.db2.gz NZVKZIRDKIWXJW-GJYPPUQNSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(Cl)c2)C[C@@H]1O ZINC001220292132 1034101948 /nfs/dbraw/zinc/10/19/48/1034101948.db2.gz NZVKZIRDKIWXJW-GJYPPUQNSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1scnc1Br ZINC001277016105 1034103563 /nfs/dbraw/zinc/10/35/63/1034103563.db2.gz PQCVFWQDQAMLHC-GHMZBOCLSA-N 1 2 356.289 2.657 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1scnc1Br ZINC001277016105 1034103570 /nfs/dbraw/zinc/10/35/70/1034103570.db2.gz PQCVFWQDQAMLHC-GHMZBOCLSA-N 1 2 356.289 2.657 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001220293602 1034104599 /nfs/dbraw/zinc/10/45/99/1034104599.db2.gz NJLZLZXRWQJNFU-RYRKJORJSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001220293602 1034104605 /nfs/dbraw/zinc/10/46/05/1034104605.db2.gz NJLZLZXRWQJNFU-RYRKJORJSA-N 1 2 370.415 2.969 20 30 FFEDLO CCCCC[C@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001220497512 1034220122 /nfs/dbraw/zinc/22/01/22/1034220122.db2.gz AKJUHWCQRDACNI-DBVUQKKJSA-N 1 2 357.498 2.826 20 30 FFEDLO CCCCC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001220497512 1034220134 /nfs/dbraw/zinc/22/01/34/1034220134.db2.gz AKJUHWCQRDACNI-DBVUQKKJSA-N 1 2 357.498 2.826 20 30 FFEDLO CCCCCC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220588653 1034270598 /nfs/dbraw/zinc/27/05/98/1034270598.db2.gz HINVLCJSNNDMNQ-TYPHKJRUSA-N 1 2 356.510 2.806 20 30 FFEDLO CCCCCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220588653 1034270612 /nfs/dbraw/zinc/27/06/12/1034270612.db2.gz HINVLCJSNNDMNQ-TYPHKJRUSA-N 1 2 356.510 2.806 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(-c2ccoc2)n1 ZINC001225928218 1034454733 /nfs/dbraw/zinc/45/47/33/1034454733.db2.gz BGHLMEKNAUGWHN-HZPDHXFCSA-N 1 2 356.426 2.650 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1cccc(CC=C)c1O ZINC001138626785 1034478319 /nfs/dbraw/zinc/47/83/19/1034478319.db2.gz OMVISKUZRAKJHM-SFHVURJKSA-N 1 2 354.454 2.551 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1cccc(CC=C)c1O ZINC001138626785 1034478325 /nfs/dbraw/zinc/47/83/25/1034478325.db2.gz OMVISKUZRAKJHM-SFHVURJKSA-N 1 2 354.454 2.551 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@@H]1O)c1ccccc1 ZINC001221048473 1034523893 /nfs/dbraw/zinc/52/38/93/1034523893.db2.gz SCDDZMBJQOTDIF-ZCNNSNEGSA-N 1 2 370.880 2.971 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@@H]1O)c1ccccc1 ZINC001221048473 1034523903 /nfs/dbraw/zinc/52/39/03/1034523903.db2.gz SCDDZMBJQOTDIF-ZCNNSNEGSA-N 1 2 370.880 2.971 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](Cc2cccnc2F)Cc2nnn(CC3CC3)c21 ZINC001138786136 1034658038 /nfs/dbraw/zinc/65/80/38/1034658038.db2.gz KIHBSMRUCWHBNC-MRXNPFEDSA-N 1 2 357.433 2.524 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](Cc2cccnc2F)Cc2nnn(CC3CC3)c21 ZINC001138786136 1034658042 /nfs/dbraw/zinc/65/80/42/1034658042.db2.gz KIHBSMRUCWHBNC-MRXNPFEDSA-N 1 2 357.433 2.524 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nnc(Cc4ccncc4)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226435241 1034685062 /nfs/dbraw/zinc/68/50/62/1034685062.db2.gz RMGAKSCEQDJNPU-MYPDDIALSA-N 1 2 374.444 2.607 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nnc(Cc4ccncc4)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226435241 1034685068 /nfs/dbraw/zinc/68/50/68/1034685068.db2.gz RMGAKSCEQDJNPU-MYPDDIALSA-N 1 2 374.444 2.607 20 30 FFEDLO CC[C@H](C)OCC(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221483771 1034807538 /nfs/dbraw/zinc/80/75/38/1034807538.db2.gz BQENPLJODKBSRN-ILZDJORESA-N 1 2 358.457 2.525 20 30 FFEDLO CC[C@H](C)OCC(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221483771 1034807549 /nfs/dbraw/zinc/80/75/49/1034807549.db2.gz BQENPLJODKBSRN-ILZDJORESA-N 1 2 358.457 2.525 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3cc(C)cc(C)c3)C[C@H]21 ZINC001221514450 1034833654 /nfs/dbraw/zinc/83/36/54/1034833654.db2.gz ZGFBEZGLBUZPON-UYAOXDASSA-N 1 2 367.493 2.578 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3cc(C)cc(C)c3)C[C@H]21 ZINC001221514450 1034833665 /nfs/dbraw/zinc/83/36/65/1034833665.db2.gz ZGFBEZGLBUZPON-UYAOXDASSA-N 1 2 367.493 2.578 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[N@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC001221517511 1034834236 /nfs/dbraw/zinc/83/42/36/1034834236.db2.gz AYCFKEYLZBOCCE-NRXGSXMXSA-N 1 2 366.864 2.839 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC001221517511 1034834245 /nfs/dbraw/zinc/83/42/45/1034834245.db2.gz AYCFKEYLZBOCCE-NRXGSXMXSA-N 1 2 366.864 2.839 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3)C[C@H]21 ZINC001221580382 1034893380 /nfs/dbraw/zinc/89/33/80/1034893380.db2.gz AUPONSKYHYEMBR-YQVWRLOYSA-N 1 2 355.482 2.903 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3)C[C@H]21 ZINC001221580382 1034893385 /nfs/dbraw/zinc/89/33/85/1034893385.db2.gz AUPONSKYHYEMBR-YQVWRLOYSA-N 1 2 355.482 2.903 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC001139075153 1034919984 /nfs/dbraw/zinc/91/99/84/1034919984.db2.gz AUWWSDUNIAVWFD-CYBMUJFWSA-N 1 2 352.818 2.945 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC001139075153 1034919987 /nfs/dbraw/zinc/91/99/87/1034919987.db2.gz AUWWSDUNIAVWFD-CYBMUJFWSA-N 1 2 352.818 2.945 20 30 FFEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1cnc(N)s1)CC2 ZINC001139225787 1035017381 /nfs/dbraw/zinc/01/73/81/1035017381.db2.gz JXLHQIHYOVQFDH-UHFFFAOYSA-N 1 2 359.499 2.593 20 30 FFEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1cnc(N)s1)CC2 ZINC001139225787 1035017387 /nfs/dbraw/zinc/01/73/87/1035017387.db2.gz JXLHQIHYOVQFDH-UHFFFAOYSA-N 1 2 359.499 2.593 20 30 FFEDLO CCC[C@@H](OC)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221733426 1035025180 /nfs/dbraw/zinc/02/51/80/1035025180.db2.gz PMPKPPINDMZXAP-ATZDWAIDSA-N 1 2 359.445 2.545 20 30 FFEDLO CCC[C@@H](OC)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221733426 1035025191 /nfs/dbraw/zinc/02/51/91/1035025191.db2.gz PMPKPPINDMZXAP-ATZDWAIDSA-N 1 2 359.445 2.545 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@H+](Cc3nc4ccccc4n3C)C[C@H]21 ZINC001221753855 1035039667 /nfs/dbraw/zinc/03/96/67/1035039667.db2.gz QNKDRHKECMFXFF-YLJYHZDGSA-N 1 2 364.493 2.800 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3nc4ccccc4n3C)C[C@H]21 ZINC001221753855 1035039673 /nfs/dbraw/zinc/03/96/73/1035039673.db2.gz QNKDRHKECMFXFF-YLJYHZDGSA-N 1 2 364.493 2.800 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@H](C)CCCCC)C[C@H]21 ZINC001221782879 1035064407 /nfs/dbraw/zinc/06/44/07/1035064407.db2.gz SDPOEBBWAIHNKP-GUDVDZBRSA-N 1 2 363.546 2.960 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@H](C)CCCCC)C[C@H]21 ZINC001221782879 1035064412 /nfs/dbraw/zinc/06/44/12/1035064412.db2.gz SDPOEBBWAIHNKP-GUDVDZBRSA-N 1 2 363.546 2.960 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC(C)(C)CC)C[C@H]32)CC1 ZINC001221795109 1035076053 /nfs/dbraw/zinc/07/60/53/1035076053.db2.gz JUFIJRHYYNJXLA-IAGOWNOFSA-N 1 2 361.530 2.570 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3CC[N@H+](CC(=O)NC(C)(C)CC)C[C@H]32)CC1 ZINC001221795109 1035076061 /nfs/dbraw/zinc/07/60/61/1035076061.db2.gz JUFIJRHYYNJXLA-IAGOWNOFSA-N 1 2 361.530 2.570 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001221838993 1035105344 /nfs/dbraw/zinc/10/53/44/1035105344.db2.gz AVBNWLJBQCJIOF-SJLPKXTDSA-N 1 2 355.482 2.760 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001221838993 1035105347 /nfs/dbraw/zinc/10/53/47/1035105347.db2.gz AVBNWLJBQCJIOF-SJLPKXTDSA-N 1 2 355.482 2.760 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1c(C)nc2cc(C)ccn21 ZINC001139678544 1035194909 /nfs/dbraw/zinc/19/49/09/1035194909.db2.gz AATLUXYBNMZPCW-IBGZPJMESA-N 1 2 365.481 2.987 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1c(C)nc2cc(C)ccn21 ZINC001139678544 1035194913 /nfs/dbraw/zinc/19/49/13/1035194913.db2.gz AATLUXYBNMZPCW-IBGZPJMESA-N 1 2 365.481 2.987 20 30 FFEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1cc(F)cc(C#N)c1 ZINC001139877186 1035263701 /nfs/dbraw/zinc/26/37/01/1035263701.db2.gz AEDYOKLULOCZSS-IBGZPJMESA-N 1 2 369.444 2.710 20 30 FFEDLO N#Cc1ccc2[nH]cc(C[NH+]3CCN(c4nccnc4Cl)CC3)c2c1 ZINC001140110405 1035345208 /nfs/dbraw/zinc/34/52/08/1035345208.db2.gz LJMCPNWEEIEOLO-UHFFFAOYSA-N 1 2 352.829 2.805 20 30 FFEDLO N#C[C@@]1(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)CCCOC1 ZINC000834644576 1035422825 /nfs/dbraw/zinc/42/28/25/1035422825.db2.gz OGNAAEFFSKAAGR-NRFANRHFSA-N 1 2 364.449 2.525 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])ccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001227312985 1035504407 /nfs/dbraw/zinc/50/44/07/1035504407.db2.gz REEZYCYSTXQZRY-SFHVURJKSA-N 1 2 353.378 2.746 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])ccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001227312985 1035504412 /nfs/dbraw/zinc/50/44/12/1035504412.db2.gz REEZYCYSTXQZRY-SFHVURJKSA-N 1 2 353.378 2.746 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232262003 1035533905 /nfs/dbraw/zinc/53/39/05/1035533905.db2.gz XCQGXSWVQONRDT-OAHLLOKOSA-N 1 2 363.845 2.787 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232262003 1035533911 /nfs/dbraw/zinc/53/39/11/1035533911.db2.gz XCQGXSWVQONRDT-OAHLLOKOSA-N 1 2 363.845 2.787 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cn4cc(F)ccc4n3)C2)CC1 ZINC001232409870 1035658580 /nfs/dbraw/zinc/65/85/80/1035658580.db2.gz VGVMITGAAARRMP-UHFFFAOYSA-N 1 2 358.417 2.694 20 30 FFEDLO CC(C)(C)OC(=O)N1CCO[C@@]2(CCC[N@H+](Cc3cc(C#N)ccn3)C2)C1 ZINC001232478368 1035724281 /nfs/dbraw/zinc/72/42/81/1035724281.db2.gz UKCRXRKHUQRIGR-HXUWFJFHSA-N 1 2 372.469 2.555 20 30 FFEDLO CC(C)(C)OC(=O)N1CCO[C@@]2(CCC[N@@H+](Cc3cc(C#N)ccn3)C2)C1 ZINC001232478368 1035724300 /nfs/dbraw/zinc/72/43/00/1035724300.db2.gz UKCRXRKHUQRIGR-HXUWFJFHSA-N 1 2 372.469 2.555 20 30 FFEDLO N#Cc1ccc(O)c(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001232676417 1035932631 /nfs/dbraw/zinc/93/26/31/1035932631.db2.gz JRHAWUYVDFDBAG-AZUAARDMSA-N 1 2 367.424 2.740 20 30 FFEDLO N#Cc1ccc(O)c(CN2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001232676417 1035932641 /nfs/dbraw/zinc/93/26/41/1035932641.db2.gz JRHAWUYVDFDBAG-AZUAARDMSA-N 1 2 367.424 2.740 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)c1 ZINC001232676690 1035934086 /nfs/dbraw/zinc/93/40/86/1035934086.db2.gz BFQHTGKCXCZTBY-YVWKXTFCSA-N 1 2 365.433 2.717 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)c1 ZINC001232676690 1035934089 /nfs/dbraw/zinc/93/40/89/1035934089.db2.gz BFQHTGKCXCZTBY-YVWKXTFCSA-N 1 2 365.433 2.717 20 30 FFEDLO C=CCN1C(=O)COCC12C[NH+](Cc1cc(C)c(OC(C)C)c(C)c1)C2 ZINC001277733293 1036148707 /nfs/dbraw/zinc/14/87/07/1036148707.db2.gz MNPZIKXUECNEGS-UHFFFAOYSA-N 1 2 358.482 2.690 20 30 FFEDLO CCCCCCCC[C@H](O)C[NH+]1CC2(C1)CN([C@H](C)CC)C(=O)CO2 ZINC001277735259 1036158736 /nfs/dbraw/zinc/15/87/36/1036158736.db2.gz RCUDULBZTLPMMV-MSOLQXFVSA-N 1 2 354.535 2.810 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@@H+](Cc1cccc(C#N)c1Cl)CC2 ZINC001140813050 1036213751 /nfs/dbraw/zinc/21/37/51/1036213751.db2.gz UNGBVGYOVTTWND-UHFFFAOYSA-N 1 2 358.829 2.643 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@H+](Cc1cccc(C#N)c1Cl)CC2 ZINC001140813050 1036213765 /nfs/dbraw/zinc/21/37/65/1036213765.db2.gz UNGBVGYOVTTWND-UHFFFAOYSA-N 1 2 358.829 2.643 20 30 FFEDLO N#Cc1cccc(CN2CC([NH+]3CCN(c4ccccn4)CC3)C2)c1Cl ZINC001140813078 1036213843 /nfs/dbraw/zinc/21/38/43/1036213843.db2.gz WBVFSUCRMALZRM-UHFFFAOYSA-N 1 2 367.884 2.613 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001233080171 1036329275 /nfs/dbraw/zinc/32/92/75/1036329275.db2.gz FWXDGZJUXUEOCH-GOSISDBHSA-N 1 2 359.470 2.982 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001233080171 1036329296 /nfs/dbraw/zinc/32/92/96/1036329296.db2.gz FWXDGZJUXUEOCH-GOSISDBHSA-N 1 2 359.470 2.982 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4ncc(Br)cc4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229129839 1036512438 /nfs/dbraw/zinc/51/24/38/1036512438.db2.gz ODJCYGZOLMHLNL-WLARWPFNSA-N 1 2 361.239 2.989 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4ncc(Br)cc4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229129839 1036512453 /nfs/dbraw/zinc/51/24/53/1036512453.db2.gz ODJCYGZOLMHLNL-WLARWPFNSA-N 1 2 361.239 2.989 20 30 FFEDLO COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Cl)cc1C#N ZINC001277817834 1036824458 /nfs/dbraw/zinc/82/44/58/1036824458.db2.gz WYKGCWJBRGPZDH-QZTJIDSGSA-N 1 2 361.873 2.813 20 30 FFEDLO COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Cl)cc1C#N ZINC001277817834 1036824478 /nfs/dbraw/zinc/82/44/78/1036824478.db2.gz WYKGCWJBRGPZDH-QZTJIDSGSA-N 1 2 361.873 2.813 20 30 FFEDLO CC[C@@H](C#CC(=O)OC)Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229767777 1036880870 /nfs/dbraw/zinc/88/08/70/1036880870.db2.gz GZMCDIZSOQVMOR-KRWDZBQOSA-N 1 2 374.400 2.910 20 30 FFEDLO C#C[C@@H](Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N)C(=O)OCC ZINC001229768033 1036881552 /nfs/dbraw/zinc/88/15/52/1036881552.db2.gz IQEOKTMXRXGXLK-QGZVFWFLSA-N 1 2 360.373 2.520 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2nc(-c3ccccc3)no2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001206948725 1036968001 /nfs/dbraw/zinc/96/80/01/1036968001.db2.gz YIRYORKMHWQMJM-NVXWUHKLSA-N 1 2 366.465 2.723 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)no2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001206948725 1036968015 /nfs/dbraw/zinc/96/80/15/1036968015.db2.gz YIRYORKMHWQMJM-NVXWUHKLSA-N 1 2 366.465 2.723 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ncc(-c3cccs3)o2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206951974 1036971301 /nfs/dbraw/zinc/97/13/01/1036971301.db2.gz RJZVMCSJRQBWDC-UKRRQHHQSA-N 1 2 355.463 2.753 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ncc(-c3cccs3)o2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206951974 1036971315 /nfs/dbraw/zinc/97/13/15/1036971315.db2.gz RJZVMCSJRQBWDC-UKRRQHHQSA-N 1 2 355.463 2.753 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(C)oc2C)C[C@H]1C ZINC001206966381 1036993240 /nfs/dbraw/zinc/99/32/40/1036993240.db2.gz KCILFOWBCOZVAH-CRAIPNDOSA-N 1 2 363.502 2.991 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](Cc2nc(C)oc2C)C[C@H]1C ZINC001206966381 1036993257 /nfs/dbraw/zinc/99/32/57/1036993257.db2.gz KCILFOWBCOZVAH-CRAIPNDOSA-N 1 2 363.502 2.991 20 30 FFEDLO N#Cc1ccc(I)c(O[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001234431904 1037035443 /nfs/dbraw/zinc/03/54/43/1037035443.db2.gz YNHLAXZINPXKBE-CQSZACIVSA-N 1 2 354.191 2.636 20 30 FFEDLO CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(C#N)c1F)C2 ZINC001276506159 1037122762 /nfs/dbraw/zinc/12/27/62/1037122762.db2.gz LTKMEESDQMHPHN-MGPUTAFESA-N 1 2 359.445 2.547 20 30 FFEDLO CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1cccc(C#N)c1F)C2 ZINC001276506159 1037122767 /nfs/dbraw/zinc/12/27/67/1037122767.db2.gz LTKMEESDQMHPHN-MGPUTAFESA-N 1 2 359.445 2.547 20 30 FFEDLO CCC[N@@H+]1CCO[C@@H]2c3cc(O[C@@H](C#CC(=O)OC)CC)ccc3OC[C@H]21 ZINC001230428187 1037278468 /nfs/dbraw/zinc/27/84/68/1037278468.db2.gz VAGPQXHUFWVMJU-FQELHTAISA-N 1 2 373.449 2.565 20 30 FFEDLO CCC[N@H+]1CCO[C@@H]2c3cc(O[C@@H](C#CC(=O)OC)CC)ccc3OC[C@H]21 ZINC001230428187 1037278479 /nfs/dbraw/zinc/27/84/79/1037278479.db2.gz VAGPQXHUFWVMJU-FQELHTAISA-N 1 2 373.449 2.565 20 30 FFEDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)cc(C#N)c1 ZINC001277479555 1037436417 /nfs/dbraw/zinc/43/64/17/1037436417.db2.gz QOWHFPICBQSLKE-NXOUGTEYSA-N 1 2 359.857 2.754 20 30 FFEDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Cl)cc(C#N)c1 ZINC001277479555 1037436421 /nfs/dbraw/zinc/43/64/21/1037436421.db2.gz QOWHFPICBQSLKE-NXOUGTEYSA-N 1 2 359.857 2.754 20 30 FFEDLO N#Cc1cccc2c(OC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)ncnc12 ZINC001231038882 1037443914 /nfs/dbraw/zinc/44/39/14/1037443914.db2.gz DGACHANDQBOFBD-SFHVURJKSA-N 1 2 360.417 2.781 20 30 FFEDLO N#Cc1cccc2c(OC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)ncnc12 ZINC001231038882 1037443919 /nfs/dbraw/zinc/44/39/19/1037443919.db2.gz DGACHANDQBOFBD-SFHVURJKSA-N 1 2 360.417 2.781 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3c(C)cc(Cl)nc3Cl)C2)OCC1=O ZINC001277505716 1037531374 /nfs/dbraw/zinc/53/13/74/1037531374.db2.gz BMLAKYAJLDOLIG-KRWDZBQOSA-N 1 2 370.280 2.686 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3c(C)cc(Cl)nc3Cl)C2)OCC1=O ZINC001277505716 1037531381 /nfs/dbraw/zinc/53/13/81/1037531381.db2.gz BMLAKYAJLDOLIG-KRWDZBQOSA-N 1 2 370.280 2.686 20 30 FFEDLO Cc1cc(OC(C)C)ncc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC001235427071 1037542470 /nfs/dbraw/zinc/54/24/70/1037542470.db2.gz AOVSFNWCTMESML-UHFFFAOYSA-N 1 2 351.454 2.766 20 30 FFEDLO N#Cc1cc(F)c(C[NH+]2CCC3(CC2)OC(=O)c2ccncc23)c(F)c1 ZINC001235664787 1037673075 /nfs/dbraw/zinc/67/30/75/1037673075.db2.gz QDVHORKZACUWDN-UHFFFAOYSA-N 1 2 355.344 2.893 20 30 FFEDLO C=CC[C@H]1NC(=O)N([C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1=O ZINC001255832354 1038194813 /nfs/dbraw/zinc/19/48/13/1038194813.db2.gz BRRYFWVUHGUPFD-GOEBONIOSA-N 1 2 365.836 2.940 20 30 FFEDLO C=CC[C@H]1NC(=O)N([C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1=O ZINC001255832354 1038194818 /nfs/dbraw/zinc/19/48/18/1038194818.db2.gz BRRYFWVUHGUPFD-GOEBONIOSA-N 1 2 365.836 2.940 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)c(C)c2)C[C@H]1C ZINC001208309256 1038202030 /nfs/dbraw/zinc/20/20/30/1038202030.db2.gz GKRQJSVVKRIAEB-SJLPKXTDSA-N 1 2 357.498 2.891 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)c(C)c2)C[C@H]1C ZINC001208309256 1038202035 /nfs/dbraw/zinc/20/20/35/1038202035.db2.gz GKRQJSVVKRIAEB-SJLPKXTDSA-N 1 2 357.498 2.891 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccco3)no2)C[C@H]1C ZINC001208388677 1038273493 /nfs/dbraw/zinc/27/34/93/1038273493.db2.gz OHWHARHVDDJXFZ-RBSFLKMASA-N 1 2 358.442 2.868 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccco3)no2)C[C@H]1C ZINC001208388677 1038273502 /nfs/dbraw/zinc/27/35/02/1038273502.db2.gz OHWHARHVDDJXFZ-RBSFLKMASA-N 1 2 358.442 2.868 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001208458494 1038327657 /nfs/dbraw/zinc/32/76/57/1038327657.db2.gz LLVGNIMZWZQABA-RVKKMQEKSA-N 1 2 361.461 2.946 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001208458494 1038327670 /nfs/dbraw/zinc/32/76/70/1038327670.db2.gz LLVGNIMZWZQABA-RVKKMQEKSA-N 1 2 361.461 2.946 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C)C(C)C ZINC001208503279 1038366446 /nfs/dbraw/zinc/36/64/46/1038366446.db2.gz GAZZVAKXDPWABP-ATZDWAIDSA-N 1 2 362.901 2.799 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C)C(C)C ZINC001208503279 1038366456 /nfs/dbraw/zinc/36/64/56/1038366456.db2.gz GAZZVAKXDPWABP-ATZDWAIDSA-N 1 2 362.901 2.799 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC001208511599 1038372913 /nfs/dbraw/zinc/37/29/13/1038372913.db2.gz AXPMMOALZPDZEM-LPMFXHHGSA-N 1 2 358.442 2.868 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC001208511599 1038372927 /nfs/dbraw/zinc/37/29/27/1038372927.db2.gz AXPMMOALZPDZEM-LPMFXHHGSA-N 1 2 358.442 2.868 20 30 FFEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237115314 1038447945 /nfs/dbraw/zinc/44/79/45/1038447945.db2.gz QZYMWFAWURCFOU-UHFFFAOYSA-N 1 2 372.343 2.960 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1COCC[N@@H+]1CCCc1ccc(C#N)cc1 ZINC001208863147 1038562007 /nfs/dbraw/zinc/56/20/07/1038562007.db2.gz YUJAAXGHNAHCRQ-SFHVURJKSA-N 1 2 359.470 2.716 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1COCC[N@H+]1CCCc1ccc(C#N)cc1 ZINC001208863147 1038562020 /nfs/dbraw/zinc/56/20/20/1038562020.db2.gz YUJAAXGHNAHCRQ-SFHVURJKSA-N 1 2 359.470 2.716 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC001209003907 1038627187 /nfs/dbraw/zinc/62/71/87/1038627187.db2.gz LBRSEXZBUOGVQW-INIZCTEOSA-N 1 2 374.460 2.829 20 30 FFEDLO C=CCN(CC[N@@H+]1CCc2nn(-c3ccccc3)cc2C1)C(=O)OCC ZINC001209020199 1038635706 /nfs/dbraw/zinc/63/57/06/1038635706.db2.gz DNEKHNMXSRBCON-UHFFFAOYSA-N 1 2 354.454 2.875 20 30 FFEDLO C=CCN(CC[N@H+]1CCc2nn(-c3ccccc3)cc2C1)C(=O)OCC ZINC001209020199 1038635709 /nfs/dbraw/zinc/63/57/09/1038635709.db2.gz DNEKHNMXSRBCON-UHFFFAOYSA-N 1 2 354.454 2.875 20 30 FFEDLO N#Cc1cc(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)ccc1F ZINC001279089176 1039308146 /nfs/dbraw/zinc/30/81/46/1039308146.db2.gz UABLLHCTPDVQQC-UHFFFAOYSA-N 1 2 355.335 2.940 20 30 FFEDLO N#Cc1cc(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)ccc1F ZINC001279089176 1039308170 /nfs/dbraw/zinc/30/81/70/1039308170.db2.gz UABLLHCTPDVQQC-UHFFFAOYSA-N 1 2 355.335 2.940 20 30 FFEDLO COCCOc1cc(C#N)c(Nc2c[nH+]c(C)c(N)c2)cc1OCCOC ZINC001210291516 1039470666 /nfs/dbraw/zinc/47/06/66/1039470666.db2.gz NDWYYVYOZASIKN-UHFFFAOYSA-N 1 2 372.425 2.638 20 30 FFEDLO N#Cc1ccccc1OC1C[NH+](C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC001258648752 1039475073 /nfs/dbraw/zinc/47/50/73/1039475073.db2.gz NNILXYCSVUNNQR-UHFFFAOYSA-N 1 2 361.445 2.926 20 30 FFEDLO C=CC[C@@](C)([NH2+][C@H](C)Cc1cc(OC)c(OC)c(OC)c1)C(=O)OC ZINC001258865668 1039546303 /nfs/dbraw/zinc/54/63/03/1039546303.db2.gz SYIXAZZFMLFKLE-BFUOFWGJSA-N 1 2 351.443 2.741 20 30 FFEDLO N#Cc1cc(Cl)c(-c2noc([C@H](CO)n3cc[nH+]c3)n2)cc1Cl ZINC001247260966 1039679134 /nfs/dbraw/zinc/67/91/34/1039679134.db2.gz GJQCYFJQVBWLCU-LBPRGKRZSA-N 1 2 350.165 2.693 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1C ZINC001211217849 1040002489 /nfs/dbraw/zinc/00/24/89/1040002489.db2.gz IYKIHFRIXZWRPR-SZVBFZGTSA-N 1 2 370.522 2.910 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1C ZINC001211217849 1040002497 /nfs/dbraw/zinc/00/24/97/1040002497.db2.gz IYKIHFRIXZWRPR-SZVBFZGTSA-N 1 2 370.522 2.910 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001211217640 1040003446 /nfs/dbraw/zinc/00/34/46/1040003446.db2.gz BOSVGVXZSWUPSE-SLYNCCJLSA-N 1 2 366.509 2.792 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001211217640 1040003461 /nfs/dbraw/zinc/00/34/61/1040003461.db2.gz BOSVGVXZSWUPSE-SLYNCCJLSA-N 1 2 366.509 2.792 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)NCc1nc(C#N)cs1)c1ccccc1 ZINC001253511003 1040215909 /nfs/dbraw/zinc/21/59/09/1040215909.db2.gz ITCRYBSMGPUYPS-OAHLLOKOSA-N 1 2 366.450 2.531 20 30 FFEDLO C=C[C@H](O)CNc1ccc(N2CCC(NC(=O)OC(C)(C)C)CC2)[nH+]c1 ZINC001253574744 1040247455 /nfs/dbraw/zinc/24/74/55/1040247455.db2.gz RMKRKFZABFYXNK-INIZCTEOSA-N 1 2 362.474 2.534 20 30 FFEDLO COc1ccc(C[NH+]2CCC(C#N)CC2)c(O)c1I ZINC001248482288 1040296948 /nfs/dbraw/zinc/29/69/48/1040296948.db2.gz YJLKWNSKFRJZSV-UHFFFAOYSA-N 1 2 372.206 2.741 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1cccc2nc(C)ccc12 ZINC001248556572 1040322273 /nfs/dbraw/zinc/32/22/73/1040322273.db2.gz VPMMLAVDBAXRAB-FQEVSTJZSA-N 1 2 363.465 2.974 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1cccc2nc(C)ccc12 ZINC001248556572 1040322284 /nfs/dbraw/zinc/32/22/84/1040322284.db2.gz VPMMLAVDBAXRAB-FQEVSTJZSA-N 1 2 363.465 2.974 20 30 FFEDLO C=C/C(C)=C\CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213287808 1040411905 /nfs/dbraw/zinc/41/19/05/1040411905.db2.gz PWJQPKIONNXMNY-QKLKTMHJSA-N 1 2 357.429 2.535 20 30 FFEDLO C=C/C(C)=C\CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213287808 1040411912 /nfs/dbraw/zinc/41/19/12/1040411912.db2.gz PWJQPKIONNXMNY-QKLKTMHJSA-N 1 2 357.429 2.535 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2OC)C[C@H]1OC ZINC001213314814 1040438603 /nfs/dbraw/zinc/43/86/03/1040438603.db2.gz MEFYURYVLWNWTR-POZUXBRTSA-N 1 2 364.461 2.752 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2OC)C[C@H]1OC ZINC001213314814 1040438610 /nfs/dbraw/zinc/43/86/10/1040438610.db2.gz MEFYURYVLWNWTR-POZUXBRTSA-N 1 2 364.461 2.752 20 30 FFEDLO COCCOCN1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1C#N)C2 ZINC001278749709 1040456931 /nfs/dbraw/zinc/45/69/31/1040456931.db2.gz RADXMHWFNYFPRR-HXUWFJFHSA-N 1 2 361.461 2.606 20 30 FFEDLO COCCOCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1C#N)C2 ZINC001278749709 1040456934 /nfs/dbraw/zinc/45/69/34/1040456934.db2.gz RADXMHWFNYFPRR-HXUWFJFHSA-N 1 2 361.461 2.606 20 30 FFEDLO N#Cc1ccn2ncc(C[NH+]3CCN(c4noc5ccccc54)CC3)c2c1 ZINC001249082394 1040573238 /nfs/dbraw/zinc/57/32/38/1040573238.db2.gz QOOAIGYWZLVNTK-UHFFFAOYSA-N 1 2 358.405 2.669 20 30 FFEDLO CCOc1ccccc1N1CC[NH+](Cc2cnn3ccc(C#N)cc23)CC1 ZINC001249082585 1040574184 /nfs/dbraw/zinc/57/41/84/1040574184.db2.gz YZMAFAKHICEZRB-UHFFFAOYSA-N 1 2 361.449 2.927 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CCCC(F)(F)F ZINC001213481009 1040592276 /nfs/dbraw/zinc/59/22/76/1040592276.db2.gz SRUYWBIYSNHNAG-IAGOWNOFSA-N 1 2 368.399 2.586 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CCCC(F)(F)F ZINC001213481009 1040592281 /nfs/dbraw/zinc/59/22/81/1040592281.db2.gz SRUYWBIYSNHNAG-IAGOWNOFSA-N 1 2 368.399 2.586 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)[C@H](C)C(C)C ZINC001213511544 1040624995 /nfs/dbraw/zinc/62/49/95/1040624995.db2.gz MPZXFTINSYWVNK-ATZDWAIDSA-N 1 2 362.901 2.799 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)[C@H](C)C(C)C ZINC001213511544 1040624999 /nfs/dbraw/zinc/62/49/99/1040624999.db2.gz MPZXFTINSYWVNK-ATZDWAIDSA-N 1 2 362.901 2.799 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cn(C)nc1[C@H](C)CC ZINC001249406650 1040731682 /nfs/dbraw/zinc/73/16/82/1040731682.db2.gz QYPUMXKVIMIPQQ-QAPCUYQASA-N 1 2 357.502 2.969 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cn(C)nc1[C@H](C)CC ZINC001249406650 1040731702 /nfs/dbraw/zinc/73/17/02/1040731702.db2.gz QYPUMXKVIMIPQQ-QAPCUYQASA-N 1 2 357.502 2.969 20 30 FFEDLO CCC[C@H](CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213636677 1040747400 /nfs/dbraw/zinc/74/74/00/1040747400.db2.gz SQHVLTFMEPJODA-DFQSSKMNSA-N 1 2 360.473 2.819 20 30 FFEDLO CCC[C@H](CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213636677 1040747414 /nfs/dbraw/zinc/74/74/14/1040747414.db2.gz SQHVLTFMEPJODA-DFQSSKMNSA-N 1 2 360.473 2.819 20 30 FFEDLO C=C[C@@H](COC)NC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001537964635 1070304713 /nfs/dbraw/zinc/30/47/13/1070304713.db2.gz HARVQOVOAAHSAG-JKSUJKDBSA-N 1 2 367.287 2.903 20 30 FFEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1)C(=O)OCC ZINC001254765279 1040937870 /nfs/dbraw/zinc/93/78/70/1040937870.db2.gz RKUIXPQWZGVUJH-STXHMFSFSA-N 1 2 364.486 2.873 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1OC)c1ccccc1 ZINC001213896244 1041040965 /nfs/dbraw/zinc/04/09/65/1041040965.db2.gz YLWLFRCHZFXQTE-GUDVDZBRSA-N 1 2 371.506 2.818 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1OC)c1ccccc1 ZINC001213896244 1041040983 /nfs/dbraw/zinc/04/09/83/1041040983.db2.gz YLWLFRCHZFXQTE-GUDVDZBRSA-N 1 2 371.506 2.818 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ns2)C[C@H]1OC)c1ccccc1 ZINC001213900230 1041051531 /nfs/dbraw/zinc/05/15/31/1041051531.db2.gz VXZDRJMVDZEMMA-IPMKNSEASA-N 1 2 371.506 2.737 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ns2)C[C@H]1OC)c1ccccc1 ZINC001213900230 1041051545 /nfs/dbraw/zinc/05/15/45/1041051545.db2.gz VXZDRJMVDZEMMA-IPMKNSEASA-N 1 2 371.506 2.737 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2conc2CC)C[C@H]1OC)c1ccccc1 ZINC001213903402 1041057060 /nfs/dbraw/zinc/05/70/60/1041057060.db2.gz UVPULIAWVXNQQV-MISYRCLQSA-N 1 2 369.465 2.522 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2conc2CC)C[C@H]1OC)c1ccccc1 ZINC001213903402 1041057075 /nfs/dbraw/zinc/05/70/75/1041057075.db2.gz UVPULIAWVXNQQV-MISYRCLQSA-N 1 2 369.465 2.522 20 30 FFEDLO C=C(C)Cc1ccc(C(=O)N2CC3(CCN3CCn3cc[nH+]c3)C2)cc1 ZINC001278609525 1041414560 /nfs/dbraw/zinc/41/45/60/1041414560.db2.gz ACJYFNRHUUPVMY-UHFFFAOYSA-N 1 2 350.466 2.602 20 30 FFEDLO C=C(C)Cc1ccc(C(=O)N2CC3(CC[N@@H+]3CCn3ccnc3)C2)cc1 ZINC001278609525 1041414564 /nfs/dbraw/zinc/41/45/64/1041414564.db2.gz ACJYFNRHUUPVMY-UHFFFAOYSA-N 1 2 350.466 2.602 20 30 FFEDLO C=C(C)Cc1ccc(C(=O)N2CC3(CC[N@H+]3CCn3ccnc3)C2)cc1 ZINC001278609525 1041414573 /nfs/dbraw/zinc/41/45/73/1041414573.db2.gz ACJYFNRHUUPVMY-UHFFFAOYSA-N 1 2 350.466 2.602 20 30 FFEDLO CC1(C)C[C@@H](N[NH+]=Cc2c(Cl)nc(N)nc2N2CCCC2)C(C)(C)O1 ZINC001262038838 1041522915 /nfs/dbraw/zinc/52/29/15/1041522915.db2.gz ASJHPQGBWJWPRP-GFCCVEGCSA-N 1 2 366.897 2.582 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc([C@H](C)OCC)no2)C1 ZINC001214730194 1041554033 /nfs/dbraw/zinc/55/40/33/1041554033.db2.gz VNVLWOQVOBGFHB-QLFBSQMISA-N 1 2 364.490 2.706 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CCCC)no2)C1 ZINC001215322774 1041736470 /nfs/dbraw/zinc/73/64/70/1041736470.db2.gz HIILTRMYCZAUGJ-IAGOWNOFSA-N 1 2 360.502 2.932 20 30 FFEDLO CCO[C@H]1C[C@@H](N(C)c2nnc(C3CC[NH+](CCC#N)CC3)n2C)C1(C)C ZINC001262873534 1041918631 /nfs/dbraw/zinc/91/86/31/1041918631.db2.gz LENMAPNQLYCOGQ-SJORKVTESA-N 1 2 374.533 2.548 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001262951974 1041984527 /nfs/dbraw/zinc/98/45/27/1041984527.db2.gz GDXBLOVXQRZACW-KBPBESRZSA-N 1 2 373.423 2.606 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1ccc(F)cc1F ZINC001262990886 1042014694 /nfs/dbraw/zinc/01/46/94/1042014694.db2.gz RTMRKPWSZFQXQG-UHFFFAOYSA-N 1 2 358.396 2.703 20 30 FFEDLO CC(C)c1noc(C[NH2+][C@@H]2CN(C(=O)CC#Cc3ccccc3)C[C@H]2C)n1 ZINC001216815498 1042133110 /nfs/dbraw/zinc/13/31/10/1042133110.db2.gz JNYMSIRIGGFPLJ-SJLPKXTDSA-N 1 2 366.465 2.571 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1CCOC ZINC001263253418 1042200844 /nfs/dbraw/zinc/20/08/44/1042200844.db2.gz ODLVYEJGLOURDF-ZWKOTPCHSA-N 1 2 370.501 2.749 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001263288612 1042223558 /nfs/dbraw/zinc/22/35/58/1042223558.db2.gz XYRBLKIQYUKGHQ-CYBMUJFWSA-N 1 2 368.407 2.957 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001263343002 1042251153 /nfs/dbraw/zinc/25/11/53/1042251153.db2.gz LQWXXDAVQYGAAL-TVFCKZIOSA-N 1 2 357.502 2.626 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001263343002 1042251159 /nfs/dbraw/zinc/25/11/59/1042251159.db2.gz LQWXXDAVQYGAAL-TVFCKZIOSA-N 1 2 357.502 2.626 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@H](C)CC#N ZINC001263394898 1042278521 /nfs/dbraw/zinc/27/85/21/1042278521.db2.gz IUROEVLQXCNZKK-ZACQAIPSSA-N 1 2 360.506 2.598 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@H](C)CC#N ZINC001263394898 1042278523 /nfs/dbraw/zinc/27/85/23/1042278523.db2.gz IUROEVLQXCNZKK-ZACQAIPSSA-N 1 2 360.506 2.598 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C4CC4)no3)CC[C@@H]2C1 ZINC001264094922 1042622640 /nfs/dbraw/zinc/62/26/40/1042622640.db2.gz WLJNXPXZWBJGBK-OIISXLGYSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[N@H+](Cc3nc(C4CC4)no3)CC[C@@H]2C1 ZINC001264094922 1042622642 /nfs/dbraw/zinc/62/26/42/1042622642.db2.gz WLJNXPXZWBJGBK-OIISXLGYSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3CCC)CC[C@@H]2C1 ZINC001264094397 1042622678 /nfs/dbraw/zinc/62/26/78/1042622678.db2.gz GUETXIRHVPTDHJ-KURKYZTESA-N 1 2 359.518 2.571 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3CCC)CC[C@@H]2C1 ZINC001264094397 1042622679 /nfs/dbraw/zinc/62/26/79/1042622679.db2.gz GUETXIRHVPTDHJ-KURKYZTESA-N 1 2 359.518 2.571 20 30 FFEDLO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1C)C(F)(F)F ZINC001264156013 1042641800 /nfs/dbraw/zinc/64/18/00/1042641800.db2.gz IWGIYLYOLOTGFM-HFAKWTLXSA-N 1 2 357.351 2.975 20 30 FFEDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1C)C(F)(F)F ZINC001264156013 1042641803 /nfs/dbraw/zinc/64/18/03/1042641803.db2.gz IWGIYLYOLOTGFM-HFAKWTLXSA-N 1 2 357.351 2.975 20 30 FFEDLO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1C[C@H]1c1ccsc1)C2 ZINC001264189769 1042656570 /nfs/dbraw/zinc/65/65/70/1042656570.db2.gz JTRAEQADOKIDEG-UONOGXRCSA-N 1 2 357.504 2.616 20 30 FFEDLO C#Cc1ccccc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(F)(F)C(F)F)C1 ZINC001264488052 1042694134 /nfs/dbraw/zinc/69/41/34/1042694134.db2.gz AHDJGFWZUFXEHN-XJKSGUPXSA-N 1 2 370.390 2.985 20 30 FFEDLO CC(C)NC(=O)N1CC2(C1)CCC[N@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001279133620 1042912807 /nfs/dbraw/zinc/91/28/07/1042912807.db2.gz POSDSOXEZPFXGA-UHFFFAOYSA-N 1 2 362.424 2.852 20 30 FFEDLO CC(C)NC(=O)N1CC2(C1)CCC[N@@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001279133620 1042912811 /nfs/dbraw/zinc/91/28/11/1042912811.db2.gz POSDSOXEZPFXGA-UHFFFAOYSA-N 1 2 362.424 2.852 20 30 FFEDLO COC1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2C#N)CCC1 ZINC001279232660 1042957615 /nfs/dbraw/zinc/95/76/15/1042957615.db2.gz DTCLQMGKTXSAKP-KDURUIRLSA-N 1 2 353.466 2.693 20 30 FFEDLO COC1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)CCC1 ZINC001279232660 1042957617 /nfs/dbraw/zinc/95/76/17/1042957617.db2.gz DTCLQMGKTXSAKP-KDURUIRLSA-N 1 2 353.466 2.693 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](Cc2cccc(N)c2)Cc2nnn(CC3CC3)c21 ZINC001237217071 1043060472 /nfs/dbraw/zinc/06/04/72/1043060472.db2.gz VXMSMEITOCEQBW-QGZVFWFLSA-N 1 2 353.470 2.572 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](Cc2cccc(N)c2)Cc2nnn(CC3CC3)c21 ZINC001237217071 1043060477 /nfs/dbraw/zinc/06/04/77/1043060477.db2.gz VXMSMEITOCEQBW-QGZVFWFLSA-N 1 2 353.470 2.572 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cn3cc(C#N)ccc3n1)CCC2 ZINC001237605231 1043265477 /nfs/dbraw/zinc/26/54/77/1043265477.db2.gz WJMPSSNZZQMGKN-UHFFFAOYSA-N 1 2 362.437 2.511 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cn3cc(C#N)ccc3n1)CCC2 ZINC001237605231 1043265482 /nfs/dbraw/zinc/26/54/82/1043265482.db2.gz WJMPSSNZZQMGKN-UHFFFAOYSA-N 1 2 362.437 2.511 20 30 FFEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237606868 1043266073 /nfs/dbraw/zinc/26/60/73/1043266073.db2.gz PXSDRXKSPVUYDI-GDBMZVCRSA-N 1 2 369.469 2.941 20 30 FFEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237606868 1043266082 /nfs/dbraw/zinc/26/60/82/1043266082.db2.gz PXSDRXKSPVUYDI-GDBMZVCRSA-N 1 2 369.469 2.941 20 30 FFEDLO C[C@@H]1CC[N@H+](Cc2cn3cc(C#N)ccc3n2)C[C@H]1NC(=O)OC(C)(C)C ZINC001237609740 1043268469 /nfs/dbraw/zinc/26/84/69/1043268469.db2.gz WGDGKHOPMRLIPU-RHSMWYFYSA-N 1 2 369.469 2.941 20 30 FFEDLO C[C@@H]1CC[N@@H+](Cc2cn3cc(C#N)ccc3n2)C[C@H]1NC(=O)OC(C)(C)C ZINC001237609740 1043268479 /nfs/dbraw/zinc/26/84/79/1043268479.db2.gz WGDGKHOPMRLIPU-RHSMWYFYSA-N 1 2 369.469 2.941 20 30 FFEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)c1 ZINC001237749511 1043339081 /nfs/dbraw/zinc/33/90/81/1043339081.db2.gz VGGOLJTUFRYOEH-RBUKOAKNSA-N 1 2 366.852 2.982 20 30 FFEDLO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)c1 ZINC001237749511 1043339094 /nfs/dbraw/zinc/33/90/94/1043339094.db2.gz VGGOLJTUFRYOEH-RBUKOAKNSA-N 1 2 366.852 2.982 20 30 FFEDLO N#Cc1cc(Cl)cc(CN2CCc3[nH+]cc(Cn4cccn4)n3CC2)c1 ZINC001237750191 1043340013 /nfs/dbraw/zinc/34/00/13/1043340013.db2.gz FPKAAMBNHIRHLP-UHFFFAOYSA-N 1 2 366.856 2.711 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1C(C)(C)C)C1CC[NH+](Cc2nccc(C)n2)CC1 ZINC001278163726 1043434727 /nfs/dbraw/zinc/43/47/27/1043434727.db2.gz RJROREUPPCGFSR-RTBURBONSA-N 1 2 368.525 2.893 20 30 FFEDLO N#CC1(NC(=O)[C@@H]2CC23C[NH+](Cc2ccc(Br)cc2)C3)CCC1 ZINC001279738024 1043559077 /nfs/dbraw/zinc/55/90/77/1043559077.db2.gz WKNZXKRBISUFBL-HNNXBMFYSA-N 1 2 374.282 2.833 20 30 FFEDLO CC(C)(C)NC(=O)[C@@H]1CCSC12C[NH+](Cc1cc(F)cc(C#N)c1)C2 ZINC001279822585 1043708799 /nfs/dbraw/zinc/70/87/99/1043708799.db2.gz ZGUVSVJNHJAIBP-INIZCTEOSA-N 1 2 361.486 2.920 20 30 FFEDLO C=CCCCCCC[N@@H+]1Cc2ccnn2CC[C@H]1C(=O)Nc1cn[nH]c1 ZINC001279827936 1043728186 /nfs/dbraw/zinc/72/81/86/1043728186.db2.gz IMUKDBFTOHTEID-SFHVURJKSA-N 1 2 356.474 2.956 20 30 FFEDLO C=CCCCCCC[N@H+]1Cc2ccnn2CC[C@H]1C(=O)Nc1cn[nH]c1 ZINC001279827936 1043728195 /nfs/dbraw/zinc/72/81/95/1043728195.db2.gz IMUKDBFTOHTEID-SFHVURJKSA-N 1 2 356.474 2.956 20 30 FFEDLO COc1ccc(C[NH+]2CC3(C[C@H]3C(=O)NC3(C#N)CCC3)C2)cc1Cl ZINC001279933250 1043940873 /nfs/dbraw/zinc/94/08/73/1043940873.db2.gz WYJLWVWFSUTJLD-AWEZNQCLSA-N 1 2 359.857 2.733 20 30 FFEDLO Cc1ccccc1C[N@@H+]1CCc2onc(C(=O)N3CC(CC#N)C3)c2C1 ZINC001279989181 1044047125 /nfs/dbraw/zinc/04/71/25/1044047125.db2.gz XBTWJLCNBQDNDB-UHFFFAOYSA-N 1 2 350.422 2.527 20 30 FFEDLO Cc1ccccc1C[N@H+]1CCc2onc(C(=O)N3CC(CC#N)C3)c2C1 ZINC001279989181 1044047140 /nfs/dbraw/zinc/04/71/40/1044047140.db2.gz XBTWJLCNBQDNDB-UHFFFAOYSA-N 1 2 350.422 2.527 20 30 FFEDLO C=C(C)[C@@H]1CC=C(C[NH+]2CC3(C2)CC[C@@H](C(=O)Nc2nnco2)O3)CC1 ZINC001280232669 1044435694 /nfs/dbraw/zinc/43/56/94/1044435694.db2.gz ZBPWQYSVNIJJNP-CVEARBPZSA-N 1 2 358.442 2.544 20 30 FFEDLO C#CCN(C)c1nnc(-c2ccccc2F)n1Cc1c[nH+]ccc1OC ZINC001539169061 1070576582 /nfs/dbraw/zinc/57/65/82/1070576582.db2.gz QKSAAFDJOYVSMX-UHFFFAOYSA-N 1 2 351.385 2.606 20 30 FFEDLO COc1c(Cl)cccc1C[NH+]1CC2(C[C@H]2C(=O)NC2(C#N)CCC2)C1 ZINC001280298258 1044566554 /nfs/dbraw/zinc/56/65/54/1044566554.db2.gz RGCSAZAJOHIUKW-AWEZNQCLSA-N 1 2 359.857 2.733 20 30 FFEDLO COCC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001281776288 1045112391 /nfs/dbraw/zinc/11/23/91/1045112391.db2.gz LDOWPDDANYSPCI-BDTNDASRSA-N 1 2 366.505 2.788 20 30 FFEDLO COCC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001281776288 1045112396 /nfs/dbraw/zinc/11/23/96/1045112396.db2.gz LDOWPDDANYSPCI-BDTNDASRSA-N 1 2 366.505 2.788 20 30 FFEDLO C#CC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2)CC1CC1 ZINC001319552944 1045191444 /nfs/dbraw/zinc/19/14/44/1045191444.db2.gz YFTNHHDWTMBCCV-UHFFFAOYSA-N 1 2 360.479 2.697 20 30 FFEDLO C#CC[N@H+](CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2)CC1CC1 ZINC001319552944 1045191450 /nfs/dbraw/zinc/19/14/50/1045191450.db2.gz YFTNHHDWTMBCCV-UHFFFAOYSA-N 1 2 360.479 2.697 20 30 FFEDLO C=C[C@@H](COC)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC001320432981 1045407484 /nfs/dbraw/zinc/40/74/84/1045407484.db2.gz JAUUZEGLFXPQLJ-HOTGVXAUSA-N 1 2 367.287 2.903 20 30 FFEDLO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)ccc1C#N ZINC001320931502 1045496220 /nfs/dbraw/zinc/49/62/20/1045496220.db2.gz UIIZEZUADGBAHY-OALUTQOASA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)ccc1C#N ZINC001320931502 1045496222 /nfs/dbraw/zinc/49/62/22/1045496222.db2.gz UIIZEZUADGBAHY-OALUTQOASA-N 1 2 373.453 2.730 20 30 FFEDLO N#CCc1cccc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)n1 ZINC001324085801 1045857704 /nfs/dbraw/zinc/85/77/04/1045857704.db2.gz RKQVTXCTZOYIIC-GOSISDBHSA-N 1 2 356.857 2.657 20 30 FFEDLO C=CCC(CC=C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001282636787 1045999885 /nfs/dbraw/zinc/99/98/85/1045999885.db2.gz IKYGCPPIZLUPJI-VLQPXKRTSA-N 1 2 370.497 2.605 20 30 FFEDLO C=CCC(CC=C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001282636787 1045999897 /nfs/dbraw/zinc/99/98/97/1045999897.db2.gz IKYGCPPIZLUPJI-VLQPXKRTSA-N 1 2 370.497 2.605 20 30 FFEDLO C=CCC(CC=C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001282636786 1046000138 /nfs/dbraw/zinc/00/01/38/1046000138.db2.gz IKYGCPPIZLUPJI-OAOYMFHYSA-N 1 2 370.497 2.605 20 30 FFEDLO C=CCC(CC=C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001282636786 1046000152 /nfs/dbraw/zinc/00/01/52/1046000152.db2.gz IKYGCPPIZLUPJI-OAOYMFHYSA-N 1 2 370.497 2.605 20 30 FFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC001325620846 1046581888 /nfs/dbraw/zinc/58/18/88/1046581888.db2.gz CGTYKFIRFJECQJ-UHFFFAOYSA-N 1 2 364.449 2.625 20 30 FFEDLO COCC[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001284668076 1046611171 /nfs/dbraw/zinc/61/11/71/1046611171.db2.gz JNPRAPBXUKQLEW-LEWJYISDSA-N 1 2 354.494 2.539 20 30 FFEDLO COCC[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001284668076 1046611177 /nfs/dbraw/zinc/61/11/77/1046611177.db2.gz JNPRAPBXUKQLEW-LEWJYISDSA-N 1 2 354.494 2.539 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001285244708 1046774481 /nfs/dbraw/zinc/77/44/81/1046774481.db2.gz UMMALDVYWKWKOF-SPYBWZPUSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001285244708 1046774496 /nfs/dbraw/zinc/77/44/96/1046774496.db2.gz UMMALDVYWKWKOF-SPYBWZPUSA-N 1 2 358.486 2.661 20 30 FFEDLO N#Cc1cccc(C#N)c1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC001326433381 1046930465 /nfs/dbraw/zinc/93/04/65/1046930465.db2.gz YORGIJCAMDCXGI-UHFFFAOYSA-N 1 2 360.417 2.523 20 30 FFEDLO C#CCN(CC)c1nnc(CC)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001286447930 1047113446 /nfs/dbraw/zinc/11/34/46/1047113446.db2.gz XISLNEAHTJRCMW-MRXNPFEDSA-N 1 2 361.440 2.881 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCC)CC1 ZINC001286473323 1047121395 /nfs/dbraw/zinc/12/13/95/1047121395.db2.gz QJKSFMVIBIQHJY-UHFFFAOYSA-N 1 2 363.509 2.913 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C)c2)CC1 ZINC001286478513 1047121529 /nfs/dbraw/zinc/12/15/29/1047121529.db2.gz FVXYYOXLWQOLOK-UHFFFAOYSA-N 1 2 365.525 2.979 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(OC)cc2)CC1 ZINC001286473195 1047121644 /nfs/dbraw/zinc/12/16/44/1047121644.db2.gz YOAAOIVRNKXTIE-KRWDZBQOSA-N 1 2 367.497 2.604 20 30 FFEDLO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001286591659 1047137655 /nfs/dbraw/zinc/13/76/55/1047137655.db2.gz PYDMGBRMIPXCGD-UHFFFAOYSA-N 1 2 363.469 2.873 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC001287924425 1047374776 /nfs/dbraw/zinc/37/47/76/1047374776.db2.gz MNQMREMECXZFLD-CTNGQTDRSA-N 1 2 360.498 2.541 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC001287924425 1047374788 /nfs/dbraw/zinc/37/47/88/1047374788.db2.gz MNQMREMECXZFLD-CTNGQTDRSA-N 1 2 360.498 2.541 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCC1 ZINC001289338480 1047636069 /nfs/dbraw/zinc/63/60/69/1047636069.db2.gz JTTKZFPBOYNVEF-YFHUEUNASA-N 1 2 370.497 2.613 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCC1 ZINC001289338480 1047636071 /nfs/dbraw/zinc/63/60/71/1047636071.db2.gz JTTKZFPBOYNVEF-YFHUEUNASA-N 1 2 370.497 2.613 20 30 FFEDLO C=CCC1(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001289981699 1047805182 /nfs/dbraw/zinc/80/51/82/1047805182.db2.gz CIQJQRVVQRWZEX-GVDBMIGSSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCC1(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001289981699 1047805189 /nfs/dbraw/zinc/80/51/89/1047805189.db2.gz CIQJQRVVQRWZEX-GVDBMIGSSA-N 1 2 370.497 2.709 20 30 FFEDLO COCC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3C3CCC3)cc2C1 ZINC001327696911 1048001232 /nfs/dbraw/zinc/00/12/32/1048001232.db2.gz ZRWCTEFFZUHNFY-LEWJYISDSA-N 1 2 352.478 2.704 20 30 FFEDLO COCC#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3C3CCC3)cc2C1 ZINC001327696911 1048001244 /nfs/dbraw/zinc/00/12/44/1048001244.db2.gz ZRWCTEFFZUHNFY-LEWJYISDSA-N 1 2 352.478 2.704 20 30 FFEDLO COc1cc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(F)cc1C#N ZINC001331717891 1048079696 /nfs/dbraw/zinc/07/96/96/1048079696.db2.gz TZEPGNUPRJXRID-ZDUSSCGKSA-N 1 2 371.416 2.926 20 30 FFEDLO N#Cc1ccc(CCOC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001330199738 1049079816 /nfs/dbraw/zinc/07/98/16/1049079816.db2.gz QDPFBLBAERXZNV-NRFANRHFSA-N 1 2 364.445 2.935 20 30 FFEDLO N#Cc1ccc(CCOC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001330199738 1049079828 /nfs/dbraw/zinc/07/98/28/1049079828.db2.gz QDPFBLBAERXZNV-NRFANRHFSA-N 1 2 364.445 2.935 20 30 FFEDLO C=C[C@H](C)NC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001294989015 1049857991 /nfs/dbraw/zinc/85/79/91/1049857991.db2.gz IOCLBJIEPSNVGB-INIZCTEOSA-N 1 2 361.486 2.704 20 30 FFEDLO C=C[C@H](C)NC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001294989015 1049858012 /nfs/dbraw/zinc/85/80/12/1049858012.db2.gz IOCLBJIEPSNVGB-INIZCTEOSA-N 1 2 361.486 2.704 20 30 FFEDLO C=C(C)CCC(=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001296829503 1050098029 /nfs/dbraw/zinc/09/80/29/1050098029.db2.gz IIKPVMDGBYUGFK-RTBURBONSA-N 1 2 363.546 2.628 20 30 FFEDLO C=CCC1(C(=O)N[C@@H](CC)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001297433774 1050165116 /nfs/dbraw/zinc/16/51/16/1050165116.db2.gz KRPXEGCWNUEHHM-ARFHVFGLSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCC1(C(=O)N[C@@H](CC)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001297433774 1050165119 /nfs/dbraw/zinc/16/51/19/1050165119.db2.gz KRPXEGCWNUEHHM-ARFHVFGLSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccccc2F)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339857486 1050275129 /nfs/dbraw/zinc/27/51/29/1050275129.db2.gz VXJXMCACFLTLSZ-SIFCLUCFSA-N 1 2 373.476 2.712 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccccc2F)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001339857486 1050275140 /nfs/dbraw/zinc/27/51/40/1050275140.db2.gz VXJXMCACFLTLSZ-SIFCLUCFSA-N 1 2 373.476 2.712 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC(F)(F)CC1 ZINC001340195512 1050604705 /nfs/dbraw/zinc/60/47/05/1050604705.db2.gz MBOOMEPHNDCYFC-LSDHHAIUSA-N 1 2 367.444 2.625 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC(F)(F)CC1 ZINC001340195512 1050604713 /nfs/dbraw/zinc/60/47/13/1050604713.db2.gz MBOOMEPHNDCYFC-LSDHHAIUSA-N 1 2 367.444 2.625 20 30 FFEDLO C=CCn1c([C@H](C)CCC#N)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001342036737 1050633167 /nfs/dbraw/zinc/63/31/67/1050633167.db2.gz KTUABJHZRLIKMQ-OAHLLOKOSA-N 1 2 365.485 2.895 20 30 FFEDLO C=CCn1c([C@@H](C)CCC#N)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001342036735 1050633181 /nfs/dbraw/zinc/63/31/81/1050633181.db2.gz KTUABJHZRLIKMQ-HNNXBMFYSA-N 1 2 365.485 2.895 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](C)[C@H](F)C1 ZINC001342307193 1050902150 /nfs/dbraw/zinc/90/21/50/1050902150.db2.gz ZJSBYTWOSWTOPB-DOTOQJQBSA-N 1 2 360.481 2.741 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1 ZINC001340516343 1050909892 /nfs/dbraw/zinc/90/98/92/1050909892.db2.gz ZRAAYOHPFLZVSQ-XLIONFOSSA-N 1 2 368.460 2.925 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1 ZINC001340516343 1050909904 /nfs/dbraw/zinc/90/99/04/1050909904.db2.gz ZRAAYOHPFLZVSQ-XLIONFOSSA-N 1 2 368.460 2.925 20 30 FFEDLO C=CCn1c(N2CCC(CC(C)C)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001342384863 1050979334 /nfs/dbraw/zinc/97/93/34/1050979334.db2.gz LXECLQLSZKZNPF-XLIONFOSSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC(CC(C)C)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001342384863 1050979344 /nfs/dbraw/zinc/97/93/44/1050979344.db2.gz LXECLQLSZKZNPF-XLIONFOSSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@](OC)(C(F)(F)F)C1 ZINC001342673655 1051284372 /nfs/dbraw/zinc/28/43/72/1051284372.db2.gz LFTILQAMWUHNLK-CZUORRHYSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@](OC)(C(F)(F)F)C1 ZINC001342673655 1051284379 /nfs/dbraw/zinc/28/43/79/1051284379.db2.gz LFTILQAMWUHNLK-CZUORRHYSA-N 1 2 373.423 2.779 20 30 FFEDLO CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001341036056 1051372323 /nfs/dbraw/zinc/37/23/23/1051372323.db2.gz IBBOLKBUGIOZRD-NVXWUHKLSA-N 1 2 370.888 2.901 20 30 FFEDLO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001343016317 1051632680 /nfs/dbraw/zinc/63/26/80/1051632680.db2.gz LIFNFRSGRMKIJY-UHFFFAOYSA-N 1 2 363.469 2.873 20 30 FFEDLO CCCO[C@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2C)CC1 ZINC001341440002 1051797166 /nfs/dbraw/zinc/79/71/66/1051797166.db2.gz FUJMSGCZFYEGKW-SFHVURJKSA-N 1 2 374.533 2.694 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2ccc(F)cc2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001343286201 1052135441 /nfs/dbraw/zinc/13/54/41/1052135441.db2.gz FLPMAEQEQAWVQX-YLJYHZDGSA-N 1 2 373.476 2.541 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2ccc(F)cc2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001343286201 1052135449 /nfs/dbraw/zinc/13/54/49/1052135449.db2.gz FLPMAEQEQAWVQX-YLJYHZDGSA-N 1 2 373.476 2.541 20 30 FFEDLO C[C@@H](C(=O)[C@@H](C#N)c1nc(N)c2ccccc2n1)[N@@H+]1CCc2ccccc2C1 ZINC001343354872 1052179752 /nfs/dbraw/zinc/17/97/52/1052179752.db2.gz OEZQAPSERZLYGX-KBXCAEBGSA-N 1 2 371.444 2.835 20 30 FFEDLO CC(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001343466784 1052249686 /nfs/dbraw/zinc/24/96/86/1052249686.db2.gz AICCZEOWDXDVKS-ZWKOTPCHSA-N 1 2 374.533 2.846 20 30 FFEDLO CC(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001343466784 1052249693 /nfs/dbraw/zinc/24/96/93/1052249693.db2.gz AICCZEOWDXDVKS-ZWKOTPCHSA-N 1 2 374.533 2.846 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)n2CC(C)C)C1 ZINC001343469559 1052250987 /nfs/dbraw/zinc/25/09/87/1052250987.db2.gz OIRQQLWGFGBTID-QRVBRYPASA-N 1 2 371.529 2.710 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)n2CC(C)C)C1 ZINC001343469559 1052250996 /nfs/dbraw/zinc/25/09/96/1052250996.db2.gz OIRQQLWGFGBTID-QRVBRYPASA-N 1 2 371.529 2.710 20 30 FFEDLO C#C[C@H]1CCCN(c2nnc([C@H]3C[N@@H+](C(C)C)CCO3)n2CC(C)C)C1 ZINC001343470571 1052251922 /nfs/dbraw/zinc/25/19/22/1052251922.db2.gz WCQWWLKGFUTGKR-ZWKOTPCHSA-N 1 2 359.518 2.565 20 30 FFEDLO C#C[C@H]1CCCN(c2nnc([C@H]3C[N@H+](C(C)C)CCO3)n2CC(C)C)C1 ZINC001343470571 1052251929 /nfs/dbraw/zinc/25/19/29/1052251929.db2.gz WCQWWLKGFUTGKR-ZWKOTPCHSA-N 1 2 359.518 2.565 20 30 FFEDLO C#C[C@H]1CCCN(c2nnc([C@@H]3C[N@@H+](C(C)C)CCO3)n2CC(C)C)C1 ZINC001343470570 1052252347 /nfs/dbraw/zinc/25/23/47/1052252347.db2.gz WCQWWLKGFUTGKR-ROUUACIJSA-N 1 2 359.518 2.565 20 30 FFEDLO C#C[C@H]1CCCN(c2nnc([C@@H]3C[N@H+](C(C)C)CCO3)n2CC(C)C)C1 ZINC001343470570 1052252353 /nfs/dbraw/zinc/25/23/53/1052252353.db2.gz WCQWWLKGFUTGKR-ROUUACIJSA-N 1 2 359.518 2.565 20 30 FFEDLO C=C(C)Cn1c(N2CC[NH+](Cc3cc(C)no3)CC2)nnc1C(C)(F)F ZINC001343519914 1052279847 /nfs/dbraw/zinc/27/98/47/1052279847.db2.gz UNXDRWBNKNVJNF-UHFFFAOYSA-N 1 2 366.416 2.585 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001343580415 1052318038 /nfs/dbraw/zinc/31/80/38/1052318038.db2.gz DWYASQDZLXCKBD-KDURUIRLSA-N 1 2 373.545 2.685 20 30 FFEDLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC001307589166 1052324422 /nfs/dbraw/zinc/32/44/22/1052324422.db2.gz LIJDVJADWLDHFC-QGZVFWFLSA-N 1 2 362.470 2.544 20 30 FFEDLO CC(C)[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC001307589166 1052324425 /nfs/dbraw/zinc/32/44/25/1052324425.db2.gz LIJDVJADWLDHFC-QGZVFWFLSA-N 1 2 362.470 2.544 20 30 FFEDLO CC(C)(C)[C@H]1CSCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC001308033743 1052389023 /nfs/dbraw/zinc/38/90/23/1052389023.db2.gz JVYRMRZKJPFBFD-MRXNPFEDSA-N 1 2 352.525 2.795 20 30 FFEDLO CC(C)(C)[C@H]1CSCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC001308033743 1052389026 /nfs/dbraw/zinc/38/90/26/1052389026.db2.gz JVYRMRZKJPFBFD-MRXNPFEDSA-N 1 2 352.525 2.795 20 30 FFEDLO COc1cc2c(cc1C[NH+]1CCN(c3ccc(C#N)cc3)CC1)OCO2 ZINC001308905768 1052517271 /nfs/dbraw/zinc/51/72/71/1052517271.db2.gz LPUUGFJBDZLSEH-UHFFFAOYSA-N 1 2 351.406 2.618 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](Cn1c(C3CC3)nnc1N(C)C[C@H](C)C#N)CCC2 ZINC001542832662 1071316821 /nfs/dbraw/zinc/31/68/21/1071316821.db2.gz VFYRCDSMIWWBBZ-CZUORRHYSA-N 1 2 353.474 2.834 20 30 FFEDLO C=CCCC(=O)N1CCC2(C[C@H](C)N(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001344326110 1052718519 /nfs/dbraw/zinc/71/85/19/1052718519.db2.gz FIABPHOWDPESSW-GVDBMIGSSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCCC(=O)N1CCC2(C[C@H](C)N(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001344326110 1052718523 /nfs/dbraw/zinc/71/85/23/1052718523.db2.gz FIABPHOWDPESSW-GVDBMIGSSA-N 1 2 370.497 2.709 20 30 FFEDLO CC(C)CN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@H]1CCCO1 ZINC001344597165 1052853012 /nfs/dbraw/zinc/85/30/12/1052853012.db2.gz SVHDIXQCIIFJGI-GOSISDBHSA-N 1 2 374.533 2.642 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@H](CC#N)C2)n1C[C@@H]1CCOC1 ZINC001346608810 1053153786 /nfs/dbraw/zinc/15/37/86/1053153786.db2.gz NGZAQSULFJBROS-OKZBNKHCSA-N 1 2 372.517 2.601 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@H](CC#N)C2)n1C[C@@H]1CCOC1 ZINC001346608810 1053153794 /nfs/dbraw/zinc/15/37/94/1053153794.db2.gz NGZAQSULFJBROS-OKZBNKHCSA-N 1 2 372.517 2.601 20 30 FFEDLO CCOCCCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001346829913 1053353054 /nfs/dbraw/zinc/35/30/54/1053353054.db2.gz YHMSVVPXBMWOLQ-FQEVSTJZSA-N 1 2 374.533 2.821 20 30 FFEDLO C=CCO[C@@H]1CCN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC001347192188 1053707646 /nfs/dbraw/zinc/70/76/46/1053707646.db2.gz QBROFRZWSWKHDC-MSOLQXFVSA-N 1 2 354.454 2.690 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2C[C@H]2CCCCO2)C1 ZINC001347214662 1053726762 /nfs/dbraw/zinc/72/67/62/1053726762.db2.gz YMUBLDFNGPLMNN-QRVBRYPASA-N 1 2 371.529 2.854 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2C[C@H]2CCCCO2)C1 ZINC001347214662 1053726768 /nfs/dbraw/zinc/72/67/68/1053726768.db2.gz YMUBLDFNGPLMNN-QRVBRYPASA-N 1 2 371.529 2.854 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCn1cc[nH+]c1 ZINC001347571892 1054116876 /nfs/dbraw/zinc/11/68/76/1054116876.db2.gz DXYZXVRKUQBVPS-ZACQAIPSSA-N 1 2 358.486 2.514 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001347677151 1054218796 /nfs/dbraw/zinc/21/87/96/1054218796.db2.gz OSMHHKHOSOLZNQ-KURKYZTESA-N 1 2 370.497 2.727 20 30 FFEDLO COc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)cc1C#N ZINC001336881737 1054312506 /nfs/dbraw/zinc/31/25/06/1054312506.db2.gz VGEJFPKEICKCSR-SFHVURJKSA-N 1 2 350.422 2.955 20 30 FFEDLO COc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)cc1C#N ZINC001336881737 1054312517 /nfs/dbraw/zinc/31/25/17/1054312517.db2.gz VGEJFPKEICKCSR-SFHVURJKSA-N 1 2 350.422 2.955 20 30 FFEDLO COc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)cc1C#N ZINC001336881736 1054313061 /nfs/dbraw/zinc/31/30/61/1054313061.db2.gz VGEJFPKEICKCSR-GOSISDBHSA-N 1 2 350.422 2.955 20 30 FFEDLO COc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)cc1C#N ZINC001336881736 1054313074 /nfs/dbraw/zinc/31/30/74/1054313074.db2.gz VGEJFPKEICKCSR-GOSISDBHSA-N 1 2 350.422 2.955 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N(CCC)Cc1ccccc1 ZINC001351605267 1054918515 /nfs/dbraw/zinc/91/85/15/1054918515.db2.gz SOAMLWMKHKBFBG-ZWKOTPCHSA-N 1 2 355.486 2.618 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N(CCC)Cc1ccccc1 ZINC001351605267 1054918519 /nfs/dbraw/zinc/91/85/19/1054918519.db2.gz SOAMLWMKHKBFBG-ZWKOTPCHSA-N 1 2 355.486 2.618 20 30 FFEDLO C=CC1CCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2C[C@@H]2CCOC2)CC1 ZINC001349024642 1055056723 /nfs/dbraw/zinc/05/67/23/1055056723.db2.gz VXNPIXDXQHVSMD-ROUUACIJSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CC1CCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2C[C@@H]2CCOC2)CC1 ZINC001349024642 1055056736 /nfs/dbraw/zinc/05/67/36/1055056736.db2.gz VXNPIXDXQHVSMD-ROUUACIJSA-N 1 2 359.518 2.874 20 30 FFEDLO N#Cc1ccc(OC2CN(C(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)C2)cc1 ZINC001352229835 1055292023 /nfs/dbraw/zinc/29/20/23/1055292023.db2.gz UTTNGMBOZJSNCP-HNNXBMFYSA-N 1 2 364.327 2.538 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC001338196443 1055311371 /nfs/dbraw/zinc/31/13/71/1055311371.db2.gz HBVVKNLZCYGZQD-UOSKARGWSA-N 1 2 356.470 2.509 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC001338196443 1055311386 /nfs/dbraw/zinc/31/13/86/1055311386.db2.gz HBVVKNLZCYGZQD-UOSKARGWSA-N 1 2 356.470 2.509 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2cn(-c3ccc(C)cc3)nc2C)CC1 ZINC000848916293 1055359335 /nfs/dbraw/zinc/35/93/35/1055359335.db2.gz SEXHBDYCZRFLMI-UHFFFAOYSA-N 1 2 352.438 2.768 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N(CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001352539399 1055575044 /nfs/dbraw/zinc/57/50/44/1055575044.db2.gz HRINNBMYONCTES-HZPDHXFCSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N(CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001352539399 1055575059 /nfs/dbraw/zinc/57/50/59/1055575059.db2.gz HRINNBMYONCTES-HZPDHXFCSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCCC(=O)N[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCCC1 ZINC001357056236 1055762234 /nfs/dbraw/zinc/76/22/34/1055762234.db2.gz UPTRAPNKAFFRLO-ZACQAIPSSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCCC(=O)N[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCCC1 ZINC001357056236 1055762245 /nfs/dbraw/zinc/76/22/45/1055762245.db2.gz UPTRAPNKAFFRLO-ZACQAIPSSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@H](CF)C1 ZINC001357152265 1055797651 /nfs/dbraw/zinc/79/76/51/1055797651.db2.gz JXQQSJULNLDITC-SJORKVTESA-N 1 2 365.497 2.822 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@H](CF)C1 ZINC001357152265 1055797660 /nfs/dbraw/zinc/79/76/60/1055797660.db2.gz JXQQSJULNLDITC-SJORKVTESA-N 1 2 365.497 2.822 20 30 FFEDLO Cn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1C1(C#N)CCCC1 ZINC001350539883 1055822793 /nfs/dbraw/zinc/82/27/93/1055822793.db2.gz FJVHRAJFWSDDGI-UHFFFAOYSA-N 1 2 351.458 2.626 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001338851031 1055870391 /nfs/dbraw/zinc/87/03/91/1055870391.db2.gz GRAQMPLTHIVUIW-JYJNAYRXSA-N 1 2 365.547 2.576 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001338851031 1055870401 /nfs/dbraw/zinc/87/04/01/1055870401.db2.gz GRAQMPLTHIVUIW-JYJNAYRXSA-N 1 2 365.547 2.576 20 30 FFEDLO CCOCCCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC(CC#N)CC1 ZINC001357454791 1055908696 /nfs/dbraw/zinc/90/86/96/1055908696.db2.gz UCLZLPKLLQGBGQ-QGZVFWFLSA-N 1 2 360.506 2.601 20 30 FFEDLO CCOCCCn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC(CC#N)CC1 ZINC001357454791 1055908707 /nfs/dbraw/zinc/90/87/07/1055908707.db2.gz UCLZLPKLLQGBGQ-QGZVFWFLSA-N 1 2 360.506 2.601 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001338895591 1055913059 /nfs/dbraw/zinc/91/30/59/1055913059.db2.gz KLWKFSPZNXZQEW-WMZOPIPTSA-N 1 2 369.517 2.738 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001338895591 1055913070 /nfs/dbraw/zinc/91/30/70/1055913070.db2.gz KLWKFSPZNXZQEW-WMZOPIPTSA-N 1 2 369.517 2.738 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1Cc2ccccc2[C@@H]1CC ZINC001338896074 1055914658 /nfs/dbraw/zinc/91/46/58/1055914658.db2.gz TXSNJOXHBFVVSE-NJAFHUGGSA-N 1 2 353.470 2.673 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1Cc2ccccc2[C@@H]1CC ZINC001338896074 1055914668 /nfs/dbraw/zinc/91/46/68/1055914668.db2.gz TXSNJOXHBFVVSE-NJAFHUGGSA-N 1 2 353.470 2.673 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC[C@@H](C)C2(CCCCC2)C1 ZINC001338896065 1055914971 /nfs/dbraw/zinc/91/49/71/1055914971.db2.gz SYDGGJLQKRSCMF-SQNIBIBYSA-N 1 2 373.545 2.998 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC[C@@H](C)C2(CCCCC2)C1 ZINC001338896065 1055914981 /nfs/dbraw/zinc/91/49/81/1055914981.db2.gz SYDGGJLQKRSCMF-SQNIBIBYSA-N 1 2 373.545 2.998 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001338923918 1055937647 /nfs/dbraw/zinc/93/76/47/1055937647.db2.gz JPAYRJODEMATDC-UHFFFAOYSA-N 1 2 374.533 2.692 20 30 FFEDLO C=CCn1c(N2CCC(C(C)(C)C)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339195197 1056189375 /nfs/dbraw/zinc/18/93/75/1056189375.db2.gz GKEPIRNQBVBYIO-UZLBHIALSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC(C(C)(C)C)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339195197 1056189380 /nfs/dbraw/zinc/18/93/80/1056189380.db2.gz GKEPIRNQBVBYIO-UZLBHIALSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCCC3(CCCC3)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339198053 1056193686 /nfs/dbraw/zinc/19/36/86/1056193686.db2.gz UTBQNRBKKHLCEY-YLJYHZDGSA-N 1 2 373.545 2.926 20 30 FFEDLO C=CCn1c(N2CCCC3(CCCC3)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339198053 1056193691 /nfs/dbraw/zinc/19/36/91/1056193691.db2.gz UTBQNRBKKHLCEY-YLJYHZDGSA-N 1 2 373.545 2.926 20 30 FFEDLO C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCC[N@@H+]2C)n1CCOC ZINC001358263755 1056223187 /nfs/dbraw/zinc/22/31/87/1056223187.db2.gz STPPEXUAAQDJCY-SFHVURJKSA-N 1 2 373.501 2.909 20 30 FFEDLO C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCC[N@H+]2C)n1CCOC ZINC001358263755 1056223189 /nfs/dbraw/zinc/22/31/89/1056223189.db2.gz STPPEXUAAQDJCY-SFHVURJKSA-N 1 2 373.501 2.909 20 30 FFEDLO C=CCn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1C(C#N)(CC)CC ZINC001339233530 1056232317 /nfs/dbraw/zinc/23/23/17/1056232317.db2.gz RPDMCLMYFMFOII-UHFFFAOYSA-N 1 2 365.485 2.767 20 30 FFEDLO C=CC[C@@H]1N(c2nnc([C@@]3(C)C[C@H](O)C[N@@H+]3C)n2CC)CCCC1(C)C ZINC001339241691 1056241347 /nfs/dbraw/zinc/24/13/47/1056241347.db2.gz WTGPBYVVRNACIG-TWOQFEAHSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CC[C@@H]1N(c2nnc([C@@]3(C)C[C@H](O)C[N@H+]3C)n2CC)CCCC1(C)C ZINC001339241691 1056241353 /nfs/dbraw/zinc/24/13/53/1056241353.db2.gz WTGPBYVVRNACIG-TWOQFEAHSA-N 1 2 361.534 2.781 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1CCOC ZINC001358343017 1056264175 /nfs/dbraw/zinc/26/41/75/1056264175.db2.gz UACQVMVIZULBQA-IEBWSBKVSA-N 1 2 367.497 2.720 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2CCC[N@H+]2Cc2ccccc2)n1CCOC ZINC001358343017 1056264191 /nfs/dbraw/zinc/26/41/91/1056264191.db2.gz UACQVMVIZULBQA-IEBWSBKVSA-N 1 2 367.497 2.720 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1ccoc1C ZINC001339499806 1056519089 /nfs/dbraw/zinc/51/90/89/1056519089.db2.gz MEXKJHVFDKNRDO-UHFFFAOYSA-N 1 2 356.474 2.929 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC2(CCCCC2)CC1 ZINC001339529316 1056552209 /nfs/dbraw/zinc/55/22/09/1056552209.db2.gz HRPGHQBOBDXYFB-SJORKVTESA-N 1 2 359.518 2.752 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC2(CCCCC2)CC1 ZINC001339529316 1056552224 /nfs/dbraw/zinc/55/22/24/1056552224.db2.gz HRPGHQBOBDXYFB-SJORKVTESA-N 1 2 359.518 2.752 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(C(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001358872253 1056576369 /nfs/dbraw/zinc/57/63/69/1056576369.db2.gz ROYIAQYUWQSUQM-MRXNPFEDSA-N 1 2 352.486 2.903 20 30 FFEDLO C#CCN(C)c1nnc(CC2CCCC2)n1CCc1cn2ccccc2[nH+]1 ZINC001358951726 1056621957 /nfs/dbraw/zinc/62/19/57/1056621957.db2.gz JMLHMNMYGCRDOY-UHFFFAOYSA-N 1 2 362.481 2.971 20 30 FFEDLO CCn1c([C@H]2C[C@@H]2C#N)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001339623484 1056648666 /nfs/dbraw/zinc/64/86/66/1056648666.db2.gz MFMXSVWRAOVXIZ-CVEARBPZSA-N 1 2 370.888 2.901 20 30 FFEDLO C[C@@H]1CN(c2nnc(C3CC[NH+](CCC#N)CC3)n2C)[C@@H]2CCCC[C@@H]21 ZINC001339630354 1056655347 /nfs/dbraw/zinc/65/53/47/1056655347.db2.gz XVOBOTDARBGHEY-KBAYOESNSA-N 1 2 356.518 2.923 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2CCCCOCC)CC1 ZINC001359033348 1056665446 /nfs/dbraw/zinc/66/54/46/1056665446.db2.gz YXPVBGQRFVVWRX-UHFFFAOYSA-N 1 2 367.497 2.517 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CC[C@@H](OCC)C(C)C)CC1 ZINC001359034930 1056667173 /nfs/dbraw/zinc/66/71/73/1056667173.db2.gz GZQDNKIULOISQZ-LJQANCHMSA-N 1 2 373.545 2.752 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2CC[C@H]2CCc3ccccc32)CC1 ZINC001359037017 1056668585 /nfs/dbraw/zinc/66/85/85/1056668585.db2.gz RKKMNIGMZQLJOY-LJQANCHMSA-N 1 2 363.509 2.716 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2C[C@H]2CCCO2)C1 ZINC001518120004 1058274932 /nfs/dbraw/zinc/27/49/32/1058274932.db2.gz YDUVCZBBOJXSJB-RTBURBONSA-N 1 2 371.529 2.683 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C1CC[NH+](Cc2nnc(C)o2)CC1 ZINC001500043596 1058430381 /nfs/dbraw/zinc/43/03/81/1058430381.db2.gz PKSIKXRZBARCCG-YTQUADARSA-N 1 2 370.497 2.631 20 30 FFEDLO C=CCC1(C(=O)NC[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001500281993 1058460729 /nfs/dbraw/zinc/46/07/29/1058460729.db2.gz IQIWNIATSVZOGI-BZUAXINKSA-N 1 2 358.486 2.518 20 30 FFEDLO C=CCC1(C(=O)NC[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001500281993 1058460743 /nfs/dbraw/zinc/46/07/43/1058460743.db2.gz IQIWNIATSVZOGI-BZUAXINKSA-N 1 2 358.486 2.518 20 30 FFEDLO C#CCN(Cc1ccc(F)cc1)c1nnc(C)n1Cc1c[nH+]ccc1OC ZINC001300643154 1059127388 /nfs/dbraw/zinc/12/73/88/1059127388.db2.gz PQADQAGUWMBICL-UHFFFAOYSA-N 1 2 365.412 2.817 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CC[C@H](F)C2)CC1 ZINC001300692245 1059361699 /nfs/dbraw/zinc/36/16/99/1059361699.db2.gz APTSSWKTSCXAJE-MJGOQNOKSA-N 1 2 367.472 2.839 20 30 FFEDLO C#CCN(CC#CC)c1nnc(C)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001507660881 1059676148 /nfs/dbraw/zinc/67/61/48/1059676148.db2.gz GHBINXOYWZHKES-SFHVURJKSA-N 1 2 371.435 2.631 20 30 FFEDLO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001507762245 1059708537 /nfs/dbraw/zinc/70/85/37/1059708537.db2.gz SAFFPEJZENFVCR-SQGPQFPESA-N 1 2 359.518 2.504 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1Cc2ccc(C(C)=O)cc2C1 ZINC001520597237 1059853090 /nfs/dbraw/zinc/85/30/90/1059853090.db2.gz YFJNVLJRFZVPFV-UHFFFAOYSA-N 1 2 362.437 2.511 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001509227743 1060031336 /nfs/dbraw/zinc/03/13/36/1060031336.db2.gz JGEITNKSUGVNTQ-OAGGEKHMSA-N 1 2 360.502 2.715 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001509227743 1060031356 /nfs/dbraw/zinc/03/13/56/1060031356.db2.gz JGEITNKSUGVNTQ-OAGGEKHMSA-N 1 2 360.502 2.715 20 30 FFEDLO CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001520841180 1060131586 /nfs/dbraw/zinc/13/15/86/1060131586.db2.gz MJZXGBDTHUEXTH-HNAYVOBHSA-N 1 2 356.449 2.933 20 30 FFEDLO CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001520841180 1060131595 /nfs/dbraw/zinc/13/15/95/1060131595.db2.gz MJZXGBDTHUEXTH-HNAYVOBHSA-N 1 2 356.449 2.933 20 30 FFEDLO C[N@@H+]1CCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCCO1 ZINC001516568142 1060149803 /nfs/dbraw/zinc/14/98/03/1060149803.db2.gz VSKOIVDUIWURFD-ROUUACIJSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCCO1 ZINC001516568142 1060149810 /nfs/dbraw/zinc/14/98/10/1060149810.db2.gz VSKOIVDUIWURFD-ROUUACIJSA-N 1 2 372.517 2.744 20 30 FFEDLO C=CCC1(C(=O)N2CC=C(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CCC1 ZINC001512060354 1060498776 /nfs/dbraw/zinc/49/87/76/1060498776.db2.gz QNDFPXVNXJQUAS-IAGOWNOFSA-N 1 2 368.481 2.535 20 30 FFEDLO C=CCC1(C(=O)N2CC=C(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CCC1 ZINC001512060354 1060498788 /nfs/dbraw/zinc/49/87/88/1060498788.db2.gz QNDFPXVNXJQUAS-IAGOWNOFSA-N 1 2 368.481 2.535 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)[C@H](C)c1ccccc1C ZINC001355919366 1060728115 /nfs/dbraw/zinc/72/81/15/1060728115.db2.gz ISCSBKIDWQBWID-JFIYKMOQSA-N 1 2 355.486 2.707 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)[C@H](C)c1ccccc1C ZINC001355919366 1060728127 /nfs/dbraw/zinc/72/81/27/1060728127.db2.gz ISCSBKIDWQBWID-JFIYKMOQSA-N 1 2 355.486 2.707 20 30 FFEDLO CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC001459315241 1060744607 /nfs/dbraw/zinc/74/46/07/1060744607.db2.gz VOKRZKBEMBQDSA-IBGZPJMESA-N 1 2 363.465 2.801 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](CC)CC[C@H]2C)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001355957105 1060760994 /nfs/dbraw/zinc/76/09/94/1060760994.db2.gz BYRCFCHROXJEDB-VIPLHTEESA-N 1 2 361.534 2.781 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](CC)CC[C@H]2C)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001355957105 1060761012 /nfs/dbraw/zinc/76/10/12/1060761012.db2.gz BYRCFCHROXJEDB-VIPLHTEESA-N 1 2 361.534 2.781 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@]23CCC[C@H]2N(C(=O)Cc2[nH]c[nH+]c2C)CC3)C1 ZINC001522058673 1061528678 /nfs/dbraw/zinc/52/86/78/1061528678.db2.gz HORLQPQLSRPMQL-DYESRHJHSA-N 1 2 370.497 2.504 20 30 FFEDLO C[N@@H+]1CCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1 ZINC001522060187 1061534459 /nfs/dbraw/zinc/53/44/59/1061534459.db2.gz OAJVPOMTERPUNX-QFBILLFUSA-N 1 2 354.433 2.535 20 30 FFEDLO C[N@H+]1CCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1 ZINC001522060187 1061534477 /nfs/dbraw/zinc/53/44/77/1061534477.db2.gz OAJVPOMTERPUNX-QFBILLFUSA-N 1 2 354.433 2.535 20 30 FFEDLO C#C[C@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(F)cc1 ZINC001462275202 1061564646 /nfs/dbraw/zinc/56/46/46/1061564646.db2.gz GTVMIPUKCADWQM-HNNXBMFYSA-N 1 2 352.818 2.591 20 30 FFEDLO C=CCCc1ccc(S(=O)(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001462775907 1061772394 /nfs/dbraw/zinc/77/23/94/1061772394.db2.gz IJUQMHRUWNXAMX-IRXDYDNUSA-N 1 2 366.527 2.583 20 30 FFEDLO C=CC[C@H]1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC001477962005 1061850874 /nfs/dbraw/zinc/85/08/74/1061850874.db2.gz DZGAFVOCAOVFCI-VQTJNVASSA-N 1 2 357.498 2.538 20 30 FFEDLO C=C(C)Cn1c(N(CC2CC2)C2CCC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001523780118 1062620073 /nfs/dbraw/zinc/62/00/73/1062620073.db2.gz YFJSETHUCLQBNE-PXNSSMCTSA-N 1 2 359.518 2.535 20 30 FFEDLO C=C(C)Cn1c(N(CC2CC2)C2CCC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001523780118 1062620077 /nfs/dbraw/zinc/62/00/77/1062620077.db2.gz YFJSETHUCLQBNE-PXNSSMCTSA-N 1 2 359.518 2.535 20 30 FFEDLO Cc1nsc(N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1C#N ZINC001436643671 1062756480 /nfs/dbraw/zinc/75/64/80/1062756480.db2.gz FDQBUZANXHLAQU-UHFFFAOYSA-N 1 2 368.378 2.694 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC=C(C)C1 ZINC001524358244 1062813070 /nfs/dbraw/zinc/81/30/70/1062813070.db2.gz KDTOVPBBQNCSCK-ZWKOTPCHSA-N 1 2 357.502 2.936 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC=C(C)C1 ZINC001524358244 1062813093 /nfs/dbraw/zinc/81/30/93/1062813093.db2.gz KDTOVPBBQNCSCK-ZWKOTPCHSA-N 1 2 357.502 2.936 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(F)(F)CC1 ZINC001524368004 1062816030 /nfs/dbraw/zinc/81/60/30/1062816030.db2.gz IVYLTWJKHPRYNS-OAHLLOKOSA-N 1 2 369.460 2.871 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(F)(F)CC1 ZINC001524368004 1062816053 /nfs/dbraw/zinc/81/60/53/1062816053.db2.gz IVYLTWJKHPRYNS-OAHLLOKOSA-N 1 2 369.460 2.871 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2nc3c(o2)CCCC3)[C@@H]1C ZINC001479701042 1062826315 /nfs/dbraw/zinc/82/63/15/1062826315.db2.gz RTAVSHNSOOHWSW-PMPSAXMXSA-N 1 2 361.486 2.614 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2nc3c(o2)CCCC3)[C@@H]1C ZINC001479701042 1062826336 /nfs/dbraw/zinc/82/63/36/1062826336.db2.gz RTAVSHNSOOHWSW-PMPSAXMXSA-N 1 2 361.486 2.614 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2CC)[C@@H]1C ZINC001479703089 1062835463 /nfs/dbraw/zinc/83/54/63/1062835463.db2.gz CCJCXNQWYSNXJF-MJGOQNOKSA-N 1 2 369.509 2.960 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccccc2CC)[C@@H]1C ZINC001479703089 1062835481 /nfs/dbraw/zinc/83/54/81/1062835481.db2.gz CCJCXNQWYSNXJF-MJGOQNOKSA-N 1 2 369.509 2.960 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)CC(C)=C(C)C)[C@H]2C)c1 ZINC001479715582 1062893489 /nfs/dbraw/zinc/89/34/89/1062893489.db2.gz YQOWYDMILWKALK-XLIONFOSSA-N 1 2 367.493 2.932 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)CC(C)=C(C)C)[C@H]2C)c1 ZINC001479715582 1062893503 /nfs/dbraw/zinc/89/35/03/1062893503.db2.gz YQOWYDMILWKALK-XLIONFOSSA-N 1 2 367.493 2.932 20 30 FFEDLO N#Cc1ccc(Cc2cnc(NC(=O)NCc3ccc[nH+]c3N)s2)cc1 ZINC001465166662 1062997031 /nfs/dbraw/zinc/99/70/31/1062997031.db2.gz VLOYEKIXSGLHQN-UHFFFAOYSA-N 1 2 364.434 2.904 20 30 FFEDLO C=C(C)[C@H](CC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1)OCC ZINC001438580512 1063016994 /nfs/dbraw/zinc/01/69/94/1063016994.db2.gz TXTSZFLQSIEVJK-PMACEKPBSA-N 1 2 360.498 2.683 20 30 FFEDLO C=C(C)[C@H](CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1)OCC ZINC001438580512 1063017014 /nfs/dbraw/zinc/01/70/14/1063017014.db2.gz TXTSZFLQSIEVJK-PMACEKPBSA-N 1 2 360.498 2.683 20 30 FFEDLO COc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1C#N ZINC001532697144 1063150738 /nfs/dbraw/zinc/15/07/38/1063150738.db2.gz VJUQIKJWUIVNCV-UHFFFAOYSA-N 1 2 363.333 2.913 20 30 FFEDLO C=CCC1(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001533007083 1063229935 /nfs/dbraw/zinc/22/99/35/1063229935.db2.gz PDTIWGOLAINIHR-HZPDHXFCSA-N 1 2 358.486 2.567 20 30 FFEDLO C=CCC1(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001533007083 1063229954 /nfs/dbraw/zinc/22/99/54/1063229954.db2.gz PDTIWGOLAINIHR-HZPDHXFCSA-N 1 2 358.486 2.567 20 30 FFEDLO O=C(/C=C/c1ccc(F)cc1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001440559673 1063313558 /nfs/dbraw/zinc/31/35/58/1063313558.db2.gz JPUKYNLZYKGVDR-RMKNXTFCSA-N 1 2 374.456 2.559 20 30 FFEDLO C=CCCC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)C=Cc2ccco2)CC1 ZINC001575094128 1078106371 /nfs/dbraw/zinc/10/63/71/1078106371.db2.gz VAVLQBATUCEUBS-FPLPWBNLSA-N 1 2 369.469 2.870 20 30 FFEDLO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1c(C(=O)OCC)cnn1-c1ccccc1 ZINC001473864575 1065396293 /nfs/dbraw/zinc/39/62/93/1065396293.db2.gz AVSQROMJRWLQHK-HNNXBMFYSA-N 1 2 368.437 2.638 20 30 FFEDLO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1c(C(=O)OCC)cnn1-c1ccccc1 ZINC001473864575 1065396301 /nfs/dbraw/zinc/39/63/01/1065396301.db2.gz AVSQROMJRWLQHK-HNNXBMFYSA-N 1 2 368.437 2.638 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2ccc(Cl)cc2O)C1 ZINC001474424755 1065519174 /nfs/dbraw/zinc/51/91/74/1065519174.db2.gz PKQYVLJEKDUPIG-GXTWGEPZSA-N 1 2 351.834 2.894 20 30 FFEDLO CON=Cc1ccc(C(=O)N2C[C@@H](OC)C[C@H]2c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001548973843 1073553926 /nfs/dbraw/zinc/55/39/26/1073553926.db2.gz AQGUMWSBGUYVJY-IRXDYDNUSA-N 1 2 356.426 2.609 20 30 FFEDLO COc1cc[nH+]cc1Cn1c(-c2cccnc2)nnc1N(C)[C@H](C)CC#N ZINC001555121692 1075644921 /nfs/dbraw/zinc/64/49/21/1075644921.db2.gz KEGQYSXYRBTXMH-CQSZACIVSA-N 1 2 363.425 2.530 20 30 FFEDLO COc1cccc([C@@H]2CN(C(=O)c3[nH]c4ccccc4c3C#N)CC[NH2+]2)c1 ZINC001557820843 1075894833 /nfs/dbraw/zinc/89/48/33/1075894833.db2.gz FIGBDBMUFWZLTA-IBGZPJMESA-N 1 2 360.417 2.835 20 30 FFEDLO C=CC[C@@H](CO)Nc1[nH+]cnc2c1cnn2-c1cccc(Br)c1 ZINC001559178319 1076132365 /nfs/dbraw/zinc/13/23/65/1076132365.db2.gz IAKAGLNFNADYDE-LBPRGKRZSA-N 1 2 374.242 2.927 20 30 FFEDLO C#C[C@H]1CC[C@H](NC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CC1 ZINC001565296228 1076710216 /nfs/dbraw/zinc/71/02/16/1076710216.db2.gz LRPPZYXYHCWVNP-IYARVYRRSA-N 1 2 369.513 2.932 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC001565828941 1076771491 /nfs/dbraw/zinc/77/14/91/1076771491.db2.gz UQSKAWXOXRGIRT-PCCBWWKXSA-N 1 2 354.494 2.589 20 30 FFEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC001565828941 1076771493 /nfs/dbraw/zinc/77/14/93/1076771493.db2.gz UQSKAWXOXRGIRT-PCCBWWKXSA-N 1 2 354.494 2.589 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)CCC(=C)C)[C@H]2C)c1 ZINC001566090284 1076895653 /nfs/dbraw/zinc/89/56/53/1076895653.db2.gz HMXGYPKWHFCCLV-APWZRJJASA-N 1 2 353.466 2.542 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)CCC(=C)C)[C@H]2C)c1 ZINC001566090284 1076895655 /nfs/dbraw/zinc/89/56/55/1076895655.db2.gz HMXGYPKWHFCCLV-APWZRJJASA-N 1 2 353.466 2.542 20 30 FFEDLO C=C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccn(C)n2)[C@@H]1C)c1ccccc1 ZINC001566115652 1076919913 /nfs/dbraw/zinc/91/99/13/1076919913.db2.gz YOQNMGLGDBVGOS-HLIPFELVSA-N 1 2 352.482 2.859 20 30 FFEDLO C=C[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccn(C)n2)[C@@H]1C)c1ccccc1 ZINC001566115652 1076919915 /nfs/dbraw/zinc/91/99/15/1076919915.db2.gz YOQNMGLGDBVGOS-HLIPFELVSA-N 1 2 352.482 2.859 20 30 FFEDLO CC#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1C[C@H]1c1ccco1)C2 ZINC001566126945 1076922666 /nfs/dbraw/zinc/92/26/66/1076922666.db2.gz GHWHVCNJAWWYHP-ZIAGYGMSSA-N 1 2 355.463 2.537 20 30 FFEDLO CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C1=O ZINC001568440370 1077092091 /nfs/dbraw/zinc/09/20/91/1077092091.db2.gz SYWWDGZWTZPDPI-IFXJQAMLSA-N 1 2 366.506 2.561 20 30 FFEDLO CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C1=O ZINC001568440370 1077092094 /nfs/dbraw/zinc/09/20/94/1077092094.db2.gz SYWWDGZWTZPDPI-IFXJQAMLSA-N 1 2 366.506 2.561 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001572918931 1077437443 /nfs/dbraw/zinc/43/74/43/1077437443.db2.gz RXHRCNPESHIXMI-QWQRMKEZSA-N 1 2 354.454 2.742 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001573837550 1077814338 /nfs/dbraw/zinc/81/43/38/1077814338.db2.gz AWJONDHXIQUBGC-HUUCEWRRSA-N 1 2 360.502 2.500 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001585995693 1079523256 /nfs/dbraw/zinc/52/32/56/1079523256.db2.gz LWTUOHBZKJOYAH-LZJOCLMNSA-N 1 2 370.497 2.636 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001585995693 1079523262 /nfs/dbraw/zinc/52/32/62/1079523262.db2.gz LWTUOHBZKJOYAH-LZJOCLMNSA-N 1 2 370.497 2.636 20 30 FFEDLO C#CCCCn1c([C@H](C)CC)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001587808402 1079869558 /nfs/dbraw/zinc/86/95/58/1079869558.db2.gz QWAUEWYFEPOWNY-MRXNPFEDSA-N 1 2 370.501 2.824 20 30 FFEDLO C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1CC[NH+](CC#C)CC1 ZINC001587823117 1079872694 /nfs/dbraw/zinc/87/26/94/1079872694.db2.gz KFZSKTLIWLHCJT-UHFFFAOYSA-N 1 2 373.460 2.860 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2Cc2cccc(C)c2)CC1 ZINC001588741807 1080177453 /nfs/dbraw/zinc/17/74/53/1080177453.db2.gz IFFFRLIQWUSIOB-SFHVURJKSA-N 1 2 351.498 2.904 20 30 FFEDLO COc1ccc([C@H](NC(=O)c2cc(C#N)oc2C)c2[nH+]ccn2C)cc1 ZINC000366617453 512110412 /nfs/dbraw/zinc/11/04/12/512110412.db2.gz DQLUKUXXSYIYIT-KRWDZBQOSA-N 1 2 350.378 2.721 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027569709 249344425 /nfs/dbraw/zinc/34/44/25/249344425.db2.gz MRCLAGURDMDXDC-OAHLLOKOSA-N 1 2 368.462 2.909 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027569709 249344427 /nfs/dbraw/zinc/34/44/27/249344427.db2.gz MRCLAGURDMDXDC-OAHLLOKOSA-N 1 2 368.462 2.909 20 30 FFEDLO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857155 249351672 /nfs/dbraw/zinc/35/16/72/249351672.db2.gz NBPKYEGNPWQZHV-OAHLLOKOSA-N 1 2 358.461 2.657 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000101554344 250077165 /nfs/dbraw/zinc/07/71/65/250077165.db2.gz WEXFHSHABPGLHV-UHFFFAOYSA-N 1 2 352.482 2.614 20 30 FFEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101728730 250086026 /nfs/dbraw/zinc/08/60/26/250086026.db2.gz ILFKOWMTEYWVPF-KZNAEPCWSA-N 1 2 354.498 2.858 20 30 FFEDLO CC(C)COC[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccco1 ZINC000273488365 252316101 /nfs/dbraw/zinc/31/61/01/252316101.db2.gz JYXSTDATNHXALT-GOSISDBHSA-N 1 2 355.438 2.771 20 30 FFEDLO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@@]2(CCOC2)O1 ZINC000280662076 256549047 /nfs/dbraw/zinc/54/90/47/256549047.db2.gz ZZVDCPKENOXPHQ-BLLLJJGKSA-N 1 2 351.244 2.701 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@@]2(CCOC2)O1 ZINC000280662076 256549049 /nfs/dbraw/zinc/54/90/49/256549049.db2.gz ZZVDCPKENOXPHQ-BLLLJJGKSA-N 1 2 351.244 2.701 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2)c(F)c1 ZINC000285981389 257014512 /nfs/dbraw/zinc/01/45/12/257014512.db2.gz CADIHDJIYMJCMB-HZPDHXFCSA-N 1 2 367.428 2.653 20 30 FFEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000287393199 257086960 /nfs/dbraw/zinc/08/69/60/257086960.db2.gz RKIMVNSXXJJPCC-UHFFFAOYSA-N 1 2 351.244 2.906 20 30 FFEDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1cc(C#N)ccn1)CC2 ZINC000287696911 257103298 /nfs/dbraw/zinc/10/32/98/257103298.db2.gz CYNXTNGMISUOEK-MRXNPFEDSA-N 1 2 367.478 2.536 20 30 FFEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1cc(C#N)ccn1)CC2 ZINC000287696911 257103299 /nfs/dbraw/zinc/10/32/99/257103299.db2.gz CYNXTNGMISUOEK-MRXNPFEDSA-N 1 2 367.478 2.536 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCCc2occc2C1 ZINC000288750162 257223543 /nfs/dbraw/zinc/22/35/43/257223543.db2.gz HZKAEEABHBKDNL-UHFFFAOYSA-N 1 2 361.405 2.724 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCCc2occc2C1 ZINC000288750162 257223545 /nfs/dbraw/zinc/22/35/45/257223545.db2.gz HZKAEEABHBKDNL-UHFFFAOYSA-N 1 2 361.405 2.724 20 30 FFEDLO CC(C)C[N@@H+]1Cc2cccc(NS(=O)(=O)c3cncc(C#N)c3)c2C1 ZINC000290937222 257365988 /nfs/dbraw/zinc/36/59/88/257365988.db2.gz KSUSWLMXGQMTEJ-UHFFFAOYSA-N 1 2 356.451 2.726 20 30 FFEDLO CC(C)C[N@H+]1Cc2cccc(NS(=O)(=O)c3cncc(C#N)c3)c2C1 ZINC000290937222 257365989 /nfs/dbraw/zinc/36/59/89/257365989.db2.gz KSUSWLMXGQMTEJ-UHFFFAOYSA-N 1 2 356.451 2.726 20 30 FFEDLO Cc1ccccc1-c1noc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)n1 ZINC000301524377 258054031 /nfs/dbraw/zinc/05/40/31/258054031.db2.gz PDDDDUXSOGDWPV-UHFFFAOYSA-N 1 2 360.421 2.634 20 30 FFEDLO C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)[C@@H](c2ccccc2)C1 ZINC000331434011 258186098 /nfs/dbraw/zinc/18/60/98/258186098.db2.gz RQMCGQVJPKEIPG-LJQANCHMSA-N 1 2 373.453 2.516 20 30 FFEDLO C[N@H+]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)[C@@H](c2ccccc2)C1 ZINC000331434011 258186099 /nfs/dbraw/zinc/18/60/99/258186099.db2.gz RQMCGQVJPKEIPG-LJQANCHMSA-N 1 2 373.453 2.516 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3ccc(C#N)cc3F)CC2)C1 ZINC000332005820 258209905 /nfs/dbraw/zinc/20/99/05/258209905.db2.gz SCWPGLOJEBEGDL-APWZRJJASA-N 1 2 372.488 2.510 20 30 FFEDLO N#Cc1ccccc1S(=O)(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333038663 258246155 /nfs/dbraw/zinc/24/61/55/258246155.db2.gz OANRFOKZIBZCKM-UHFFFAOYSA-N 1 2 370.478 2.659 20 30 FFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCOc1ccc(C#N)cc1)C2 ZINC000372999048 512125655 /nfs/dbraw/zinc/12/56/55/512125655.db2.gz GIBBNFTUICDYON-HNNXBMFYSA-N 1 2 352.438 2.705 20 30 FFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCOc1ccc(C#N)cc1)CC2 ZINC000372999048 512125657 /nfs/dbraw/zinc/12/56/57/512125657.db2.gz GIBBNFTUICDYON-HNNXBMFYSA-N 1 2 352.438 2.705 20 30 FFEDLO CCOC(=O)c1nc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cs1 ZINC000052801467 506252729 /nfs/dbraw/zinc/25/27/29/506252729.db2.gz BAZUWTKLVUAKLP-UHFFFAOYSA-N 1 2 370.478 2.904 20 30 FFEDLO CCOC(=O)c1nc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cs1 ZINC000052801467 506252736 /nfs/dbraw/zinc/25/27/36/506252736.db2.gz BAZUWTKLVUAKLP-UHFFFAOYSA-N 1 2 370.478 2.904 20 30 FFEDLO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000034868294 506372436 /nfs/dbraw/zinc/37/24/36/506372436.db2.gz IDFZBLPZKCZGMU-IBGZPJMESA-N 1 2 362.905 2.825 20 30 FFEDLO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000034868295 506372686 /nfs/dbraw/zinc/37/26/86/506372686.db2.gz IDFZBLPZKCZGMU-LJQANCHMSA-N 1 2 362.905 2.825 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CC2)cc1 ZINC000368995687 512173915 /nfs/dbraw/zinc/17/39/15/512173915.db2.gz NLVWYZVCRWKQRI-UHFFFAOYSA-N 1 2 373.416 2.823 20 30 FFEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000371132264 512234277 /nfs/dbraw/zinc/23/42/77/512234277.db2.gz VKQDZOWDRJGMKX-YLJYHZDGSA-N 1 2 351.454 2.519 20 30 FFEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000371132264 512234281 /nfs/dbraw/zinc/23/42/81/512234281.db2.gz VKQDZOWDRJGMKX-YLJYHZDGSA-N 1 2 351.454 2.519 20 30 FFEDLO CC[N@H+](CCCNC(=O)COc1ccc(C#N)cc1OC)c1ccccc1 ZINC000053639550 506420597 /nfs/dbraw/zinc/42/05/97/506420597.db2.gz WCTYXYRPEIWNCB-UHFFFAOYSA-N 1 2 367.449 2.978 20 30 FFEDLO CC[N@@H+](CCCNC(=O)COc1ccc(C#N)cc1OC)c1ccccc1 ZINC000053639550 506420604 /nfs/dbraw/zinc/42/06/04/506420604.db2.gz WCTYXYRPEIWNCB-UHFFFAOYSA-N 1 2 367.449 2.978 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369208390 512283097 /nfs/dbraw/zinc/28/30/97/512283097.db2.gz XOHUVPFAWLCXFM-MRXNPFEDSA-N 1 2 359.433 2.838 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369208389 512283518 /nfs/dbraw/zinc/28/35/18/512283518.db2.gz XOHUVPFAWLCXFM-INIZCTEOSA-N 1 2 359.433 2.838 20 30 FFEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000044741622 506881537 /nfs/dbraw/zinc/88/15/37/506881537.db2.gz KBWXRHGGWRDAST-QRWLVFNGSA-N 1 2 374.916 2.827 20 30 FFEDLO Cc1ccc(C(=O)N2CC[NH+](CCOc3cccc(C#N)c3)CC2)s1 ZINC000055928427 506890219 /nfs/dbraw/zinc/89/02/19/506890219.db2.gz VOGNAEDKOXRFOS-UHFFFAOYSA-N 1 2 355.463 2.765 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC2 ZINC000014921092 507004545 /nfs/dbraw/zinc/00/45/45/507004545.db2.gz WXBGLVGZDNFBNV-UHFFFAOYSA-N 1 2 371.481 2.747 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC2 ZINC000014921092 507004553 /nfs/dbraw/zinc/00/45/53/507004553.db2.gz WXBGLVGZDNFBNV-UHFFFAOYSA-N 1 2 371.481 2.747 20 30 FFEDLO COCC(C)(C)[NH+]1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000425275229 513487839 /nfs/dbraw/zinc/48/78/39/513487839.db2.gz FBJCMDAQCXABBO-UHFFFAOYSA-N 1 2 352.276 2.868 20 30 FFEDLO C=CCOc1cccc(NC(=O)NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000056621607 507060831 /nfs/dbraw/zinc/06/08/31/507060831.db2.gz XYPDVZVLCPQJGO-UHFFFAOYSA-N 1 2 368.437 2.805 20 30 FFEDLO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000017843021 507130776 /nfs/dbraw/zinc/13/07/76/507130776.db2.gz XFZNKBSBPMFNNE-SFHVURJKSA-N 1 2 363.461 2.978 20 30 FFEDLO CC1CCC(N(C)C(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000367068338 512322547 /nfs/dbraw/zinc/32/25/47/512322547.db2.gz WXWHBUGHOAVIQR-UHFFFAOYSA-N 1 2 354.498 2.976 20 30 FFEDLO CC1CCC(N(C)C(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000023257942 507342788 /nfs/dbraw/zinc/34/27/88/507342788.db2.gz AYUZKZIQUOYGOI-UHFFFAOYSA-N 1 2 368.525 2.713 20 30 FFEDLO CC1CCC(N(C)C(=O)C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000023257942 507342798 /nfs/dbraw/zinc/34/27/98/507342798.db2.gz AYUZKZIQUOYGOI-UHFFFAOYSA-N 1 2 368.525 2.713 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN([C@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000023478568 507354777 /nfs/dbraw/zinc/35/47/77/507354777.db2.gz NJHFMEMBTGCQNG-QFIPXVFZSA-N 1 2 374.488 2.696 20 30 FFEDLO N#Cc1ccc(CN2CC[NH+]([C@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000023478568 507354785 /nfs/dbraw/zinc/35/47/85/507354785.db2.gz NJHFMEMBTGCQNG-QFIPXVFZSA-N 1 2 374.488 2.696 20 30 FFEDLO C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000048041545 507438628 /nfs/dbraw/zinc/43/86/28/507438628.db2.gz ALQKLNBAIGLHGD-HOTGVXAUSA-N 1 2 358.461 2.609 20 30 FFEDLO CN(C)c1[nH+]cccc1CNC(=O)NCCSCc1ccccc1C#N ZINC000048105217 507453744 /nfs/dbraw/zinc/45/37/44/507453744.db2.gz JLTWRZKCHZRSRX-UHFFFAOYSA-N 1 2 369.494 2.752 20 30 FFEDLO N#Cc1ccc(CSCC(=O)NCc2cccnc2-n2cc[nH+]c2)cc1 ZINC000048125804 507459063 /nfs/dbraw/zinc/45/90/63/507459063.db2.gz NBGUYPSBYQIHMV-UHFFFAOYSA-N 1 2 363.446 2.689 20 30 FFEDLO CCCCN(CCCC)C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481464 507551229 /nfs/dbraw/zinc/55/12/29/507551229.db2.gz CNSMMABEQKMCLW-UHFFFAOYSA-N 1 2 357.502 2.504 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(Cl)ccc1Cl ZINC000060633784 507569110 /nfs/dbraw/zinc/56/91/10/507569110.db2.gz XAXYFEZWDSIRTG-UHFFFAOYSA-N 1 2 356.253 2.681 20 30 FFEDLO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027648993 507674564 /nfs/dbraw/zinc/67/45/64/507674564.db2.gz AIUIEZLGMQNOIL-LJQANCHMSA-N 1 2 370.474 2.756 20 30 FFEDLO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027648993 507674573 /nfs/dbraw/zinc/67/45/73/507674573.db2.gz AIUIEZLGMQNOIL-LJQANCHMSA-N 1 2 370.474 2.756 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000367136866 512355181 /nfs/dbraw/zinc/35/51/81/512355181.db2.gz BEPWPHZGDOBSBF-RBUKOAKNSA-N 1 2 353.378 2.573 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000367136866 512355184 /nfs/dbraw/zinc/35/51/84/512355184.db2.gz BEPWPHZGDOBSBF-RBUKOAKNSA-N 1 2 353.378 2.573 20 30 FFEDLO O=C(C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1)Nc1nncs1 ZINC000050963609 507722386 /nfs/dbraw/zinc/72/23/86/507722386.db2.gz CFJHSSJZMTXVQX-AWEZNQCLSA-N 1 2 350.419 2.946 20 30 FFEDLO O=C(C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1)Nc1nncs1 ZINC000050963609 507722389 /nfs/dbraw/zinc/72/23/89/507722389.db2.gz CFJHSSJZMTXVQX-AWEZNQCLSA-N 1 2 350.419 2.946 20 30 FFEDLO C[C@H](Sc1[nH+]cnc2c1cnn2C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000028762885 507739804 /nfs/dbraw/zinc/73/98/04/507739804.db2.gz ZOZULHFVAFQAOK-XYEKJYRLSA-N 1 2 372.498 2.775 20 30 FFEDLO COC(=O)c1ccc([C@@H](C)[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)o1 ZINC000029227765 507769471 /nfs/dbraw/zinc/76/94/71/507769471.db2.gz SKYCECJMNKGYFP-GFCCVEGCSA-N 1 2 370.409 2.686 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+](CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000052640895 507816678 /nfs/dbraw/zinc/81/66/78/507816678.db2.gz BZLSARJJYLDXGZ-UHFFFAOYSA-N 1 2 370.472 2.753 20 30 FFEDLO CCN(C(=O)[C@H](C)[NH+]1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000078256099 507851273 /nfs/dbraw/zinc/85/12/73/507851273.db2.gz OUOHLWBCKNVPQH-KRWDZBQOSA-N 1 2 363.465 2.517 20 30 FFEDLO C[C@H](O)[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000089933385 507886839 /nfs/dbraw/zinc/88/68/39/507886839.db2.gz MTKCZGADPSXDLD-UONOGXRCSA-N 1 2 361.511 2.920 20 30 FFEDLO C[C@H](O)[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000089933385 507886842 /nfs/dbraw/zinc/88/68/42/507886842.db2.gz MTKCZGADPSXDLD-UONOGXRCSA-N 1 2 361.511 2.920 20 30 FFEDLO CC(C)(C)Oc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000078618352 507889883 /nfs/dbraw/zinc/88/98/83/507889883.db2.gz YIQXINSIDRHZHH-UHFFFAOYSA-N 1 2 374.485 2.944 20 30 FFEDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCN(c3ncccc3C#N)CC2)c1 ZINC000073647685 507942525 /nfs/dbraw/zinc/94/25/25/507942525.db2.gz IZGWLRSRLZODSI-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000073868055 507962143 /nfs/dbraw/zinc/96/21/43/507962143.db2.gz GQAOAYDZRZCYFH-HXUWFJFHSA-N 1 2 364.424 2.625 20 30 FFEDLO COc1cccc(Cl)c1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000091936576 508026262 /nfs/dbraw/zinc/02/62/62/508026262.db2.gz ZMVHTASPQYFSCW-ZDUSSCGKSA-N 1 2 357.845 2.721 20 30 FFEDLO COc1cccc(Cl)c1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000091936576 508026263 /nfs/dbraw/zinc/02/62/63/508026263.db2.gz ZMVHTASPQYFSCW-ZDUSSCGKSA-N 1 2 357.845 2.721 20 30 FFEDLO Cc1c(Cl)cccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000080161691 508045720 /nfs/dbraw/zinc/04/57/20/508045720.db2.gz NUSVAIKNAYAMBE-UHFFFAOYSA-N 1 2 350.850 2.728 20 30 FFEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000111250193 508082687 /nfs/dbraw/zinc/08/26/87/508082687.db2.gz VCBOSPLBOAOOMZ-GOSISDBHSA-N 1 2 361.461 2.987 20 30 FFEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000111250193 508082689 /nfs/dbraw/zinc/08/26/89/508082689.db2.gz VCBOSPLBOAOOMZ-GOSISDBHSA-N 1 2 361.461 2.987 20 30 FFEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@H](C)O1 ZINC000111276288 508085228 /nfs/dbraw/zinc/08/52/28/508085228.db2.gz AXRBYPVDICBZCF-YESZJQIVSA-N 1 2 359.470 2.830 20 30 FFEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@H](C)O1 ZINC000111276288 508085230 /nfs/dbraw/zinc/08/52/30/508085230.db2.gz AXRBYPVDICBZCF-YESZJQIVSA-N 1 2 359.470 2.830 20 30 FFEDLO C=CCOc1ccccc1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000111451514 508100403 /nfs/dbraw/zinc/10/04/03/508100403.db2.gz KDTBZIUYHACNPJ-UHFFFAOYSA-N 1 2 354.454 2.826 20 30 FFEDLO N#Cc1ccc2[nH+]cc(CN3CCN(C(=O)CC4CCCCC4)CC3)n2c1 ZINC000092787215 508100970 /nfs/dbraw/zinc/10/09/70/508100970.db2.gz CMEQATDMYPAISX-UHFFFAOYSA-N 1 2 365.481 2.821 20 30 FFEDLO COc1ccc(-c2ccc(C[NH+]3CCN(CC#N)CC3)o2)c([N+](=O)[O-])c1 ZINC000092936310 508108933 /nfs/dbraw/zinc/10/89/33/508108933.db2.gz OWCBCIATPFSYBJ-UHFFFAOYSA-N 1 2 356.382 2.505 20 30 FFEDLO COc1cc(C[NH+]2CCN(CC#N)CC2)ccc1OCc1ccccc1 ZINC000092936434 508109349 /nfs/dbraw/zinc/10/93/49/508109349.db2.gz DIJRFIMGYUBJSK-UHFFFAOYSA-N 1 2 351.450 2.915 20 30 FFEDLO CN(C)C(=O)c1cccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000080906571 508110401 /nfs/dbraw/zinc/11/04/01/508110401.db2.gz KIDJYYNZMXUZMA-OAQYLSRUSA-N 1 2 362.477 2.771 20 30 FFEDLO Cc1ncc(C[NH+]2CCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)s1 ZINC000111756648 508120349 /nfs/dbraw/zinc/12/03/49/508120349.db2.gz NPNZDEOTWGSACH-UHFFFAOYSA-N 1 2 359.430 2.812 20 30 FFEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000093090984 508120821 /nfs/dbraw/zinc/12/08/21/508120821.db2.gz JFIPUKDXKMDEIM-HNNXBMFYSA-N 1 2 351.878 2.785 20 30 FFEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000093090984 508120824 /nfs/dbraw/zinc/12/08/24/508120824.db2.gz JFIPUKDXKMDEIM-HNNXBMFYSA-N 1 2 351.878 2.785 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1C ZINC000081085090 508134795 /nfs/dbraw/zinc/13/47/95/508134795.db2.gz IYLCIEQHTNQEKE-KRWDZBQOSA-N 1 2 369.387 2.549 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1C ZINC000081085090 508134798 /nfs/dbraw/zinc/13/47/98/508134798.db2.gz IYLCIEQHTNQEKE-KRWDZBQOSA-N 1 2 369.387 2.549 20 30 FFEDLO COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)Cc3cc(C#N)cs3)C2=O)c1 ZINC000093840876 508157310 /nfs/dbraw/zinc/15/73/10/508157310.db2.gz PYUDZYQFQFOUQV-GOSISDBHSA-N 1 2 371.462 2.874 20 30 FFEDLO COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)Cc3cc(C#N)cs3)C2=O)c1 ZINC000093840876 508157313 /nfs/dbraw/zinc/15/73/13/508157313.db2.gz PYUDZYQFQFOUQV-GOSISDBHSA-N 1 2 371.462 2.874 20 30 FFEDLO N#CCc1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000076084112 508157468 /nfs/dbraw/zinc/15/74/68/508157468.db2.gz OHYAWESMNZLJJA-HXUWFJFHSA-N 1 2 364.449 2.948 20 30 FFEDLO N#Cc1ccc(OCc2ccc(C(=O)NCCNc3cccc[nH+]3)o2)cc1 ZINC000076426778 508205295 /nfs/dbraw/zinc/20/52/95/508205295.db2.gz VUDLFLHMEPCVDA-UHFFFAOYSA-N 1 2 362.389 2.967 20 30 FFEDLO C=C(C)C[NH+]1CCC(NC(=O)C2=NN(c3ccc(F)cc3C)CC2=O)CC1 ZINC000081751189 508208858 /nfs/dbraw/zinc/20/88/58/508208858.db2.gz VFISPXSBDQKWIC-UHFFFAOYSA-N 1 2 372.444 2.796 20 30 FFEDLO C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000112979311 508236503 /nfs/dbraw/zinc/23/65/03/508236503.db2.gz NLOSJBIPUBDLET-OAHLLOKOSA-N 1 2 360.421 2.886 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCOc4ccccc43)CC2)cc1 ZINC000076840157 508257593 /nfs/dbraw/zinc/25/75/93/508257593.db2.gz MYXUZRCKRLPUFF-FQEVSTJZSA-N 1 2 361.445 2.769 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(SC(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000084075417 508264636 /nfs/dbraw/zinc/26/46/36/508264636.db2.gz BHWFGUNVMYBLCH-OAHLLOKOSA-N 1 2 368.524 2.635 20 30 FFEDLO C=CC[N@H+](Cc1ccc(SC(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000084075417 508264638 /nfs/dbraw/zinc/26/46/38/508264638.db2.gz BHWFGUNVMYBLCH-OAHLLOKOSA-N 1 2 368.524 2.635 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1cc(Br)cs1 ZINC000076997172 508272970 /nfs/dbraw/zinc/27/29/70/508272970.db2.gz WPKXDUJYYRKYEJ-NSHDSACASA-N 1 2 358.305 2.951 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000076997172 508272973 /nfs/dbraw/zinc/27/29/73/508272973.db2.gz WPKXDUJYYRKYEJ-NSHDSACASA-N 1 2 358.305 2.951 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000077392132 508310402 /nfs/dbraw/zinc/31/04/02/508310402.db2.gz RHJJUMGSOIHNII-UHFFFAOYSA-N 1 2 352.419 2.531 20 30 FFEDLO C=CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCOC(C)(C)C1 ZINC000103504859 508316015 /nfs/dbraw/zinc/31/60/15/508316015.db2.gz PPPUTJNNUDDFAU-INIZCTEOSA-N 1 2 351.878 2.977 20 30 FFEDLO C=CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCOC(C)(C)C1 ZINC000103504859 508316017 /nfs/dbraw/zinc/31/60/17/508316017.db2.gz PPPUTJNNUDDFAU-INIZCTEOSA-N 1 2 351.878 2.977 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cn1 ZINC000115379544 508389092 /nfs/dbraw/zinc/38/90/92/508389092.db2.gz UYAPLBHVNDKABA-OAHLLOKOSA-N 1 2 356.376 2.626 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cn1 ZINC000115379544 508389094 /nfs/dbraw/zinc/38/90/94/508389094.db2.gz UYAPLBHVNDKABA-OAHLLOKOSA-N 1 2 356.376 2.626 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(F)cc1C(F)(F)F ZINC000156425452 508419688 /nfs/dbraw/zinc/41/96/88/508419688.db2.gz HMUBKLGASWXFIL-UHFFFAOYSA-N 1 2 359.367 2.892 20 30 FFEDLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000156612077 508449535 /nfs/dbraw/zinc/44/95/35/508449535.db2.gz PYUCEQRZOISCHD-PBHICJAKSA-N 1 2 358.442 2.840 20 30 FFEDLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000156612077 508449539 /nfs/dbraw/zinc/44/95/39/508449539.db2.gz PYUCEQRZOISCHD-PBHICJAKSA-N 1 2 358.442 2.840 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000127547154 508466481 /nfs/dbraw/zinc/46/64/81/508466481.db2.gz IJYVTZRFIXAPOO-HXUWFJFHSA-N 1 2 354.406 2.725 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000127547154 508466484 /nfs/dbraw/zinc/46/64/84/508466484.db2.gz IJYVTZRFIXAPOO-HXUWFJFHSA-N 1 2 354.406 2.725 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000156744618 508471091 /nfs/dbraw/zinc/47/10/91/508471091.db2.gz FNSHBKMWUPCMOX-AWEZNQCLSA-N 1 2 361.442 2.760 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000156744618 508471092 /nfs/dbraw/zinc/47/10/92/508471092.db2.gz FNSHBKMWUPCMOX-AWEZNQCLSA-N 1 2 361.442 2.760 20 30 FFEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000153316757 508571229 /nfs/dbraw/zinc/57/12/29/508571229.db2.gz NOJMXYNSSMAFSD-FOIQADDNSA-N 1 2 365.481 2.963 20 30 FFEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000153316757 508571233 /nfs/dbraw/zinc/57/12/33/508571233.db2.gz NOJMXYNSSMAFSD-FOIQADDNSA-N 1 2 365.481 2.963 20 30 FFEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000153333356 508572627 /nfs/dbraw/zinc/57/26/27/508572627.db2.gz ZXGPEWADJTVOHQ-UHFFFAOYSA-N 1 2 365.462 2.894 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000157542730 508579303 /nfs/dbraw/zinc/57/93/03/508579303.db2.gz FZNHKHUPMZNUCO-HKUYNNGSSA-N 1 2 365.408 2.819 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000157542730 508579308 /nfs/dbraw/zinc/57/93/08/508579308.db2.gz FZNHKHUPMZNUCO-HKUYNNGSSA-N 1 2 365.408 2.819 20 30 FFEDLO C=CCc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc(OC)c1O ZINC000122924015 508608081 /nfs/dbraw/zinc/60/80/81/508608081.db2.gz TYCUMZOEZGMPNS-UHFFFAOYSA-N 1 2 364.449 2.718 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000128839855 508650195 /nfs/dbraw/zinc/65/01/95/508650195.db2.gz BZGKVBYJABFFCM-JSGCOSHPSA-N 1 2 359.227 2.589 20 30 FFEDLO CCCS(=O)(=O)Nc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000123770090 508736081 /nfs/dbraw/zinc/73/60/81/508736081.db2.gz BOBRRSGRKXDTSN-UHFFFAOYSA-N 1 2 369.450 2.970 20 30 FFEDLO Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000119417684 508791751 /nfs/dbraw/zinc/79/17/51/508791751.db2.gz UIOVMAMQBDKQOJ-UHFFFAOYSA-N 1 2 368.506 2.993 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)c1ccc(C#N)cc1F ZINC000151024885 508942418 /nfs/dbraw/zinc/94/24/18/508942418.db2.gz YYYJQFBXQPHUJC-UHFFFAOYSA-N 1 2 372.425 2.724 20 30 FFEDLO COc1ccc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)s3)CC2)cc1 ZINC000120383955 508985443 /nfs/dbraw/zinc/98/54/43/508985443.db2.gz ZNOHQHNHYVTWFF-UHFFFAOYSA-N 1 2 369.490 2.905 20 30 FFEDLO C=C[C@H](CC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000125517018 508993454 /nfs/dbraw/zinc/99/34/54/508993454.db2.gz XBRJNFAWNPIYHE-RBUKOAKNSA-N 1 2 369.509 2.501 20 30 FFEDLO Cn1cc(Br)cc1C[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000151494099 509028635 /nfs/dbraw/zinc/02/86/35/509028635.db2.gz WNDYAQQDPWWOLC-UHFFFAOYSA-N 1 2 361.243 2.730 20 30 FFEDLO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000151494099 509028637 /nfs/dbraw/zinc/02/86/37/509028637.db2.gz WNDYAQQDPWWOLC-UHFFFAOYSA-N 1 2 361.243 2.730 20 30 FFEDLO COc1cc(C#N)ccc1C[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000120715603 509051221 /nfs/dbraw/zinc/05/12/21/509051221.db2.gz YVHSLPQFAJTGDG-UHFFFAOYSA-N 1 2 367.424 2.593 20 30 FFEDLO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cn(-c2ccccc2)nn1 ZINC000185474403 509194711 /nfs/dbraw/zinc/19/47/11/509194711.db2.gz NUFPEWNTJKBULD-QGZVFWFLSA-N 1 2 374.448 2.865 20 30 FFEDLO C[C@@H](NC(=O)N1CCC[N@H+](Cc2cscn2)CC1)c1ccc(C#N)cc1 ZINC000263875716 509201545 /nfs/dbraw/zinc/20/15/45/509201545.db2.gz PLGKXKSRKPTWMG-OAHLLOKOSA-N 1 2 369.494 2.993 20 30 FFEDLO C[C@@H](NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1)c1ccc(C#N)cc1 ZINC000263875716 509201554 /nfs/dbraw/zinc/20/15/54/509201554.db2.gz PLGKXKSRKPTWMG-OAHLLOKOSA-N 1 2 369.494 2.993 20 30 FFEDLO N#CCCCOc1cccc(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000188681156 509209924 /nfs/dbraw/zinc/20/99/24/509209924.db2.gz SOCFHMPQQXRBOI-LJQANCHMSA-N 1 2 357.454 2.951 20 30 FFEDLO N#CCCCOc1cccc(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000188681156 509209932 /nfs/dbraw/zinc/20/99/32/509209932.db2.gz SOCFHMPQQXRBOI-LJQANCHMSA-N 1 2 357.454 2.951 20 30 FFEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000179016764 509227246 /nfs/dbraw/zinc/22/72/46/509227246.db2.gz FZNJVCNAHVPWDQ-HNNXBMFYSA-N 1 2 352.442 2.910 20 30 FFEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000185623413 509271240 /nfs/dbraw/zinc/27/12/40/509271240.db2.gz UMOLLPYWXLEOGI-UHFFFAOYSA-N 1 2 354.391 2.758 20 30 FFEDLO CC(C)(C)Oc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000176037498 509286624 /nfs/dbraw/zinc/28/66/24/509286624.db2.gz QSDXXPFGHZVSEZ-UHFFFAOYSA-N 1 2 359.470 2.552 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(F)c(F)c(F)c3)CC2)cc1 ZINC000264062202 509311209 /nfs/dbraw/zinc/31/12/09/509311209.db2.gz FKVBPVMUDQVHBI-UHFFFAOYSA-N 1 2 359.351 2.934 20 30 FFEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000192103201 509348126 /nfs/dbraw/zinc/34/81/26/509348126.db2.gz NHBQJWKEWDUNBQ-VQIMIIECSA-N 1 2 372.488 2.510 20 30 FFEDLO N#Cc1ccc(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)cc1O ZINC000189085832 509404904 /nfs/dbraw/zinc/40/49/04/509404904.db2.gz ZYYCGBWULRYJSJ-UHFFFAOYSA-N 1 2 372.428 2.902 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000248717583 509450063 /nfs/dbraw/zinc/45/00/63/509450063.db2.gz NWJDZAVJVQUIOM-ZBFHGGJFSA-N 1 2 361.492 2.545 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000248717583 509450065 /nfs/dbraw/zinc/45/00/65/509450065.db2.gz NWJDZAVJVQUIOM-ZBFHGGJFSA-N 1 2 361.492 2.545 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(CC(N)=O)CC1 ZINC000264465048 509543889 /nfs/dbraw/zinc/54/38/89/509543889.db2.gz LNLWAHUBDREGSA-CQSZACIVSA-N 1 2 374.510 2.607 20 30 FFEDLO CC(C)(C)OC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000164919094 509544197 /nfs/dbraw/zinc/54/41/97/509544197.db2.gz SWDZZRQUNUXLQV-UHFFFAOYSA-N 1 2 350.484 2.611 20 30 FFEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000173371916 509558142 /nfs/dbraw/zinc/55/81/42/509558142.db2.gz KXIDJPPWAWSDLB-UHFFFAOYSA-N 1 2 360.477 2.736 20 30 FFEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000173371916 509558144 /nfs/dbraw/zinc/55/81/44/509558144.db2.gz KXIDJPPWAWSDLB-UHFFFAOYSA-N 1 2 360.477 2.736 20 30 FFEDLO N#Cc1cc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000165506023 509573829 /nfs/dbraw/zinc/57/38/29/509573829.db2.gz RQPBJWFRRHJAAH-IBGZPJMESA-N 1 2 352.394 2.952 20 30 FFEDLO CCO[C@H](C)c1noc(CN2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000186282264 509621603 /nfs/dbraw/zinc/62/16/03/509621603.db2.gz NGMNKXNGBKQPCS-HZPDHXFCSA-N 1 2 369.469 2.918 20 30 FFEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000180024770 509714839 /nfs/dbraw/zinc/71/48/39/509714839.db2.gz FDQONBGRCNBBDR-INIZCTEOSA-N 1 2 365.437 2.722 20 30 FFEDLO C=CCNC(=O)c1ccc(NCc2cc[nH+]c(N3CCCCC3)c2)nc1 ZINC000264837918 509733770 /nfs/dbraw/zinc/73/37/70/509733770.db2.gz FYSDKWHJZQCISC-UHFFFAOYSA-N 1 2 351.454 2.995 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)N[C@@H](C)c2ccccc2OC)cc1 ZINC000264897704 509763004 /nfs/dbraw/zinc/76/30/04/509763004.db2.gz AWQKDMHFHAYNAK-UONOGXRCSA-N 1 2 371.437 2.607 20 30 FFEDLO CO[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000170820243 509791705 /nfs/dbraw/zinc/79/17/05/509791705.db2.gz LYGUOEFZFPPRDV-INIZCTEOSA-N 1 2 370.453 2.667 20 30 FFEDLO CO[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000170820243 509791710 /nfs/dbraw/zinc/79/17/10/509791710.db2.gz LYGUOEFZFPPRDV-INIZCTEOSA-N 1 2 370.453 2.667 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000264950215 509792878 /nfs/dbraw/zinc/79/28/78/509792878.db2.gz WPVCUAODPVZSCM-OAHLLOKOSA-N 1 2 372.469 2.828 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000264950215 509792887 /nfs/dbraw/zinc/79/28/87/509792887.db2.gz WPVCUAODPVZSCM-OAHLLOKOSA-N 1 2 372.469 2.828 20 30 FFEDLO Cc1cnn([C@H]2CCC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)c1 ZINC000177058864 509846013 /nfs/dbraw/zinc/84/60/13/509846013.db2.gz JSOIZQVOILNUSN-JKSUJKDBSA-N 1 2 355.467 2.567 20 30 FFEDLO Cc1cnn([C@H]2CCC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)c1 ZINC000177058864 509846016 /nfs/dbraw/zinc/84/60/16/509846016.db2.gz JSOIZQVOILNUSN-JKSUJKDBSA-N 1 2 355.467 2.567 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000186719545 509870096 /nfs/dbraw/zinc/87/00/96/509870096.db2.gz ZUZKJHUPWNNJTL-KRWDZBQOSA-N 1 2 369.490 2.767 20 30 FFEDLO N#Cc1cc(NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)ccc1F ZINC000171085617 509932486 /nfs/dbraw/zinc/93/24/86/509932486.db2.gz GZRWHRODRHTGEO-UHFFFAOYSA-N 1 2 359.430 2.894 20 30 FFEDLO N#Cc1cc(NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)ccc1F ZINC000171085617 509932492 /nfs/dbraw/zinc/93/24/92/509932492.db2.gz GZRWHRODRHTGEO-UHFFFAOYSA-N 1 2 359.430 2.894 20 30 FFEDLO C[C@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H](C)[NH+]1CCOCC1 ZINC000174089647 509943683 /nfs/dbraw/zinc/94/36/83/509943683.db2.gz XEJVTIDEJQCADM-RYUDHWBXSA-N 1 2 370.375 2.808 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)Nc1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000193518881 509948588 /nfs/dbraw/zinc/94/85/88/509948588.db2.gz QMRXVRWMHHESHG-GFCCVEGCSA-N 1 2 362.380 2.840 20 30 FFEDLO COC(=O)C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CCc1ccccc1 ZINC000180566659 509988975 /nfs/dbraw/zinc/98/89/75/509988975.db2.gz UJKMUAVCIUKEDI-UHFFFAOYSA-N 1 2 365.433 2.605 20 30 FFEDLO COC(=O)C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CCc1ccccc1 ZINC000180566659 509988979 /nfs/dbraw/zinc/98/89/79/509988979.db2.gz UJKMUAVCIUKEDI-UHFFFAOYSA-N 1 2 365.433 2.605 20 30 FFEDLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1C ZINC000193769639 510060444 /nfs/dbraw/zinc/06/04/44/510060444.db2.gz FVJANSHWTLGHPO-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245803918 510151088 /nfs/dbraw/zinc/15/10/88/510151088.db2.gz ZVEKDGGCLLFFEJ-GDBMZVCRSA-N 1 2 370.501 2.593 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245803918 510151095 /nfs/dbraw/zinc/15/10/95/510151095.db2.gz ZVEKDGGCLLFFEJ-GDBMZVCRSA-N 1 2 370.501 2.593 20 30 FFEDLO C[C@@H]1CCN(C(=O)NCc2ccc(OCC#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000177815971 510269823 /nfs/dbraw/zinc/26/98/23/510269823.db2.gz HDFJKCQNUUNMSV-CRAIPNDOSA-N 1 2 353.426 2.578 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2nnc(CC)[nH]2)CC1 ZINC000190661174 510270366 /nfs/dbraw/zinc/27/03/66/510270366.db2.gz OHFSVNNJHTUHSX-SFHVURJKSA-N 1 2 370.497 2.715 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2nc(CC)n[nH]2)CC1 ZINC000190661174 510270371 /nfs/dbraw/zinc/27/03/71/510270371.db2.gz OHFSVNNJHTUHSX-SFHVURJKSA-N 1 2 370.497 2.715 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2n[nH]c(CC)n2)CC1 ZINC000190661174 510270379 /nfs/dbraw/zinc/27/03/79/510270379.db2.gz OHFSVNNJHTUHSX-SFHVURJKSA-N 1 2 370.497 2.715 20 30 FFEDLO N#Cc1ccc(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)nc1 ZINC000181136908 510283828 /nfs/dbraw/zinc/28/38/28/510283828.db2.gz NWPNKZBHIUGHPN-UHFFFAOYSA-N 1 2 357.417 2.591 20 30 FFEDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000181148868 510287321 /nfs/dbraw/zinc/28/73/21/510287321.db2.gz AXLYMKLTTHOWNI-ZDUSSCGKSA-N 1 2 369.284 2.801 20 30 FFEDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000181148868 510287328 /nfs/dbraw/zinc/28/73/28/510287328.db2.gz AXLYMKLTTHOWNI-ZDUSSCGKSA-N 1 2 369.284 2.801 20 30 FFEDLO C=CCOc1ccc(C[N@@H+](Cc2nc(N)nc(N(C)C)n2)C(C)(C)C)cc1 ZINC000177848498 510287646 /nfs/dbraw/zinc/28/76/46/510287646.db2.gz MYNJCPVPZFYRBF-UHFFFAOYSA-N 1 2 370.501 2.885 20 30 FFEDLO C=CCOc1ccc(C[N@H+](Cc2nc(N)nc(N(C)C)n2)C(C)(C)C)cc1 ZINC000177848498 510287649 /nfs/dbraw/zinc/28/76/49/510287649.db2.gz MYNJCPVPZFYRBF-UHFFFAOYSA-N 1 2 370.501 2.885 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000190729846 510312073 /nfs/dbraw/zinc/31/20/73/510312073.db2.gz GLESCXBHFJXLJD-GDBMZVCRSA-N 1 2 372.469 2.874 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000190729846 510312079 /nfs/dbraw/zinc/31/20/79/510312079.db2.gz GLESCXBHFJXLJD-GDBMZVCRSA-N 1 2 372.469 2.874 20 30 FFEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000177927543 510331082 /nfs/dbraw/zinc/33/10/82/510331082.db2.gz DOUPRFDTUPHLTO-UHFFFAOYSA-N 1 2 352.413 2.725 20 30 FFEDLO CCc1ncsc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000269564645 510463184 /nfs/dbraw/zinc/46/31/84/510463184.db2.gz VOIMFUUUMLAAKL-UHFFFAOYSA-N 1 2 355.467 2.927 20 30 FFEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000191081080 510495701 /nfs/dbraw/zinc/49/57/01/510495701.db2.gz WCXHDNOFJFJYMD-QGZVFWFLSA-N 1 2 356.470 2.951 20 30 FFEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000191081080 510495707 /nfs/dbraw/zinc/49/57/07/510495707.db2.gz WCXHDNOFJFJYMD-QGZVFWFLSA-N 1 2 356.470 2.951 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)Cc2ccc(C#N)cc2)[NH+]2CCOCC2)c1 ZINC000194737862 510503234 /nfs/dbraw/zinc/50/32/34/510503234.db2.gz ZNGOHNNRVJPDEH-NRFANRHFSA-N 1 2 363.461 2.599 20 30 FFEDLO C#CCOc1ccccc1NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000188118514 510602497 /nfs/dbraw/zinc/60/24/97/510602497.db2.gz PEPWXYNKZFHVON-UHFFFAOYSA-N 1 2 370.478 2.895 20 30 FFEDLO C#CCOc1ccccc1NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000188118514 510602502 /nfs/dbraw/zinc/60/25/02/510602502.db2.gz PEPWXYNKZFHVON-UHFFFAOYSA-N 1 2 370.478 2.895 20 30 FFEDLO C=CCNc1ncc(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)s1 ZINC000178511758 510638849 /nfs/dbraw/zinc/63/88/49/510638849.db2.gz JKWURZVITHTBKU-GFCCVEGCSA-N 1 2 362.524 2.979 20 30 FFEDLO C=CCNc1ncc(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)s1 ZINC000178511758 510638853 /nfs/dbraw/zinc/63/88/53/510638853.db2.gz JKWURZVITHTBKU-GFCCVEGCSA-N 1 2 362.524 2.979 20 30 FFEDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)s1 ZINC000185023433 510640981 /nfs/dbraw/zinc/64/09/81/510640981.db2.gz ZSYZKCIJHCIHOV-CYBMUJFWSA-N 1 2 366.450 2.798 20 30 FFEDLO COC(=O)c1ccc(F)c(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000182007339 510704351 /nfs/dbraw/zinc/70/43/51/510704351.db2.gz SGLRPKILFOKJCB-HXUWFJFHSA-N 1 2 367.424 2.995 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178796116 510777818 /nfs/dbraw/zinc/77/78/18/510777818.db2.gz BQQUGPFLWNAERW-SXBQZSJRSA-N 1 2 355.463 2.755 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178796116 510777824 /nfs/dbraw/zinc/77/78/24/510777824.db2.gz BQQUGPFLWNAERW-SXBQZSJRSA-N 1 2 355.463 2.755 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000195350247 510797568 /nfs/dbraw/zinc/79/75/68/510797568.db2.gz XMFICDXQMVWAAB-UHFFFAOYSA-N 1 2 359.433 2.565 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1nnc2ccccn21 ZINC000172616895 510823362 /nfs/dbraw/zinc/82/33/62/510823362.db2.gz VTWKIHPIPVNHQX-NEPJUHHUSA-N 1 2 368.828 2.932 20 30 FFEDLO C[C@H](C(=O)Nc1c(F)cccc1F)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000329921092 510876957 /nfs/dbraw/zinc/87/69/57/510876957.db2.gz FLSGEQCTIPPCOC-DOMZBBRYSA-N 1 2 363.412 2.664 20 30 FFEDLO CCN1CCN(CC(=O)N[C@@H]2CCOc3ccccc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329930066 510879799 /nfs/dbraw/zinc/87/97/99/510879799.db2.gz ZHPCBUGXNBYADA-IAGOWNOFSA-N 1 2 369.469 2.569 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCO[C@H](C)C1 ZINC000329964797 510889066 /nfs/dbraw/zinc/88/90/66/510889066.db2.gz URWXVZONBOSQRD-FWYOQMDTSA-N 1 2 353.438 2.975 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCO[C@H](C)C1 ZINC000329964797 510889068 /nfs/dbraw/zinc/88/90/68/510889068.db2.gz URWXVZONBOSQRD-FWYOQMDTSA-N 1 2 353.438 2.975 20 30 FFEDLO CC(C)(CNC(=O)C1CCC(NC(=O)C2CC2)CC1)[NH+]1CCOCC1 ZINC000329985714 510893517 /nfs/dbraw/zinc/89/35/17/510893517.db2.gz DNWBJQFAPKKBFV-UHFFFAOYSA-N 1 2 351.491 2.979 20 30 FFEDLO O=C(NC[C@H]1CCC2(CCCCC2)O1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000330025055 510901875 /nfs/dbraw/zinc/90/18/75/510901875.db2.gz ARPWQTYNPUDNRR-LJQANCHMSA-N 1 2 372.513 2.995 20 30 FFEDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cn([C@H]2CCOC2)nn1 ZINC000330050507 510906006 /nfs/dbraw/zinc/90/60/06/510906006.db2.gz LVUOJCITDOAMQC-INIZCTEOSA-N 1 2 370.457 2.520 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CC[C@](C)(O)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000330050830 510907754 /nfs/dbraw/zinc/90/77/54/510907754.db2.gz MKGKKUYHSNOPJJ-LESCRADOSA-N 1 2 371.403 2.610 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)N2CC[C@](C)(O)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000330050830 510907759 /nfs/dbraw/zinc/90/77/59/510907759.db2.gz MKGKKUYHSNOPJJ-LESCRADOSA-N 1 2 371.403 2.610 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@H]1CCCc3c[nH]nc31)C2 ZINC000330130814 510921609 /nfs/dbraw/zinc/92/16/09/510921609.db2.gz KPXUQLNDEJRTKF-KBPBESRZSA-N 1 2 356.474 2.800 20 30 FFEDLO CCc1nnc(C2CC[NH+]([C@@H](C)C(=O)Nc3c(C)nn(C)c3C)CC2)[nH]1 ZINC000330139223 510923391 /nfs/dbraw/zinc/92/33/91/510923391.db2.gz WBGJWCJOHRQVKQ-ZDUSSCGKSA-N 1 2 359.478 2.574 20 30 FFEDLO CCc1n[nH]c(C2CC[NH+]([C@@H](C)C(=O)Nc3c(C)nn(C)c3C)CC2)n1 ZINC000330139223 510923397 /nfs/dbraw/zinc/92/33/97/510923397.db2.gz WBGJWCJOHRQVKQ-ZDUSSCGKSA-N 1 2 359.478 2.574 20 30 FFEDLO CCc1nc(C2CC[NH+]([C@@H](C)C(=O)Nc3c(C)nn(C)c3C)CC2)n[nH]1 ZINC000330139223 510923401 /nfs/dbraw/zinc/92/34/01/510923401.db2.gz WBGJWCJOHRQVKQ-ZDUSSCGKSA-N 1 2 359.478 2.574 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc1OC ZINC000294005037 510925886 /nfs/dbraw/zinc/92/58/86/510925886.db2.gz SYSKTFABBMEQBE-INIZCTEOSA-N 1 2 353.484 2.517 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc1OC ZINC000294005037 510925888 /nfs/dbraw/zinc/92/58/88/510925888.db2.gz SYSKTFABBMEQBE-INIZCTEOSA-N 1 2 353.484 2.517 20 30 FFEDLO Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c1 ZINC000330163921 510928935 /nfs/dbraw/zinc/92/89/35/510928935.db2.gz VNEDATSZGXEVAE-ABSDTBQOSA-N 1 2 362.470 2.599 20 30 FFEDLO Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c1 ZINC000330163921 510928941 /nfs/dbraw/zinc/92/89/41/510928941.db2.gz VNEDATSZGXEVAE-ABSDTBQOSA-N 1 2 362.470 2.599 20 30 FFEDLO O=C(C[N@@H+]1CCS[C@@H]2COCC[C@H]21)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000330171064 510929783 /nfs/dbraw/zinc/92/97/83/510929783.db2.gz FBNQRZZFGMSJSI-BXUZGUMPSA-N 1 2 372.393 2.802 20 30 FFEDLO O=C(C[N@H+]1CCS[C@@H]2COCC[C@H]21)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000330171064 510929786 /nfs/dbraw/zinc/92/97/86/510929786.db2.gz FBNQRZZFGMSJSI-BXUZGUMPSA-N 1 2 372.393 2.802 20 30 FFEDLO CC(C)(CNC(=O)NC[C@H]1SCCc2ccccc21)[NH+]1CCOCC1 ZINC000330180227 510930748 /nfs/dbraw/zinc/93/07/48/510930748.db2.gz FUWLHQGEHUIPJE-QGZVFWFLSA-N 1 2 363.527 2.631 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)C1=O ZINC000285505780 510934728 /nfs/dbraw/zinc/93/47/28/510934728.db2.gz JMELZRJDVLGNFI-SWLSCSKDSA-N 1 2 373.400 2.504 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@](O)(C(F)(F)F)CC2)C1=O ZINC000285505780 510934737 /nfs/dbraw/zinc/93/47/37/510934737.db2.gz JMELZRJDVLGNFI-SWLSCSKDSA-N 1 2 373.400 2.504 20 30 FFEDLO CC1(C)CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@H](C(F)(F)F)O1 ZINC000330204725 510936315 /nfs/dbraw/zinc/93/63/15/510936315.db2.gz CXOWDMIQZSJMTP-NWDGAFQWSA-N 1 2 360.380 2.716 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1csc(NC3CC3)n1)C2 ZINC000330206488 510937911 /nfs/dbraw/zinc/93/79/11/510937911.db2.gz DHNCNBPNMVKMOY-GFCCVEGCSA-N 1 2 359.499 2.953 20 30 FFEDLO CC(C)c1cnc(NC(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)s1 ZINC000330252855 510948344 /nfs/dbraw/zinc/94/83/44/510948344.db2.gz IOWLOMFOTDUHKU-CQSZACIVSA-N 1 2 352.504 2.855 20 30 FFEDLO CC(C)c1cnc(NC(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)s1 ZINC000330252855 510948346 /nfs/dbraw/zinc/94/83/46/510948346.db2.gz IOWLOMFOTDUHKU-CQSZACIVSA-N 1 2 352.504 2.855 20 30 FFEDLO CNC(=O)[C@]1(C)CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000330281305 510956259 /nfs/dbraw/zinc/95/62/59/510956259.db2.gz UKVFPERTZRRFIF-BFUOFWGJSA-N 1 2 361.490 2.708 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)Nc2ncc(C(C)(C)C)s2)CCN1C ZINC000330357840 510973305 /nfs/dbraw/zinc/97/33/05/510973305.db2.gz UAFAOBUQOQSCJM-GFCCVEGCSA-N 1 2 362.503 2.708 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H](C)C1 ZINC000282486609 510997419 /nfs/dbraw/zinc/99/74/19/510997419.db2.gz UGFSRZRJHGZXIE-HNNXBMFYSA-N 1 2 352.438 2.632 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H](C)C1 ZINC000282486609 510997420 /nfs/dbraw/zinc/99/74/20/510997420.db2.gz UGFSRZRJHGZXIE-HNNXBMFYSA-N 1 2 352.438 2.632 20 30 FFEDLO C=CCOc1ccc(C=CC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1OC ZINC000361279109 511025841 /nfs/dbraw/zinc/02/58/41/511025841.db2.gz UOKOHNXUIFKHIG-BOSPYUDASA-N 1 2 353.422 2.670 20 30 FFEDLO C=CCOc1ccc(C=CC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1OC ZINC000361279109 511025847 /nfs/dbraw/zinc/02/58/47/511025847.db2.gz UOKOHNXUIFKHIG-BOSPYUDASA-N 1 2 353.422 2.670 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000331108088 511042178 /nfs/dbraw/zinc/04/21/78/511042178.db2.gz AOUNWBIOLWUYTM-ZRGWGRIASA-N 1 2 362.449 2.507 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000331108088 511042183 /nfs/dbraw/zinc/04/21/83/511042183.db2.gz AOUNWBIOLWUYTM-ZRGWGRIASA-N 1 2 362.449 2.507 20 30 FFEDLO CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000331194418 511048404 /nfs/dbraw/zinc/04/84/04/511048404.db2.gz SOLDMYQEGNTYSK-INIZCTEOSA-N 1 2 363.506 2.505 20 30 FFEDLO C=CCOc1ccc(CC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000294414584 511057135 /nfs/dbraw/zinc/05/71/35/511057135.db2.gz LIPFXKUJXTZYKV-UHFFFAOYSA-N 1 2 351.450 2.533 20 30 FFEDLO CCOC(=O)N1CC[NH+](Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000271025328 511060765 /nfs/dbraw/zinc/06/07/65/511060765.db2.gz VUZNXEGAJJMBTJ-UHFFFAOYSA-N 1 2 361.442 2.652 20 30 FFEDLO NC(=[NH+]OCC[C@H](O)c1ccccc1)c1ccc(N2CCCCC2)nc1 ZINC000288455204 511075340 /nfs/dbraw/zinc/07/53/40/511075340.db2.gz FYDOWUPESLIHCK-SFHVURJKSA-N 1 2 354.454 2.833 20 30 FFEDLO CCOC(=O)c1csc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000294563680 511105105 /nfs/dbraw/zinc/10/51/05/511105105.db2.gz XMPZGEDKBKZLCO-UHFFFAOYSA-N 1 2 356.451 2.514 20 30 FFEDLO Cc1noc([C@H]2CCC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)n1 ZINC000289789035 511115432 /nfs/dbraw/zinc/11/54/32/511115432.db2.gz LTCMRNOWPAWNOH-QGZVFWFLSA-N 1 2 363.425 2.887 20 30 FFEDLO Cc1noc([C@H]2CCC[N@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)n1 ZINC000289789035 511115434 /nfs/dbraw/zinc/11/54/34/511115434.db2.gz LTCMRNOWPAWNOH-QGZVFWFLSA-N 1 2 363.425 2.887 20 30 FFEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000298140878 511187517 /nfs/dbraw/zinc/18/75/17/511187517.db2.gz YBMINCIGOIJCCS-UHFFFAOYSA-N 1 2 366.465 2.652 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)n1 ZINC000279768795 511207622 /nfs/dbraw/zinc/20/76/22/511207622.db2.gz SNCXTPQPKUZGJL-IDYZSHNDSA-N 1 2 369.513 2.658 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)n1 ZINC000279768795 511207629 /nfs/dbraw/zinc/20/76/29/511207629.db2.gz SNCXTPQPKUZGJL-IDYZSHNDSA-N 1 2 369.513 2.658 20 30 FFEDLO CO[C@@H](CO[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1)c1ccccc1 ZINC000283373917 511341705 /nfs/dbraw/zinc/34/17/05/511341705.db2.gz MFYNYJJJNDTPSC-SFHVURJKSA-N 1 2 365.437 2.909 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nc(Cc4ccccc4)no3)C2)nc1 ZINC000292097539 511464743 /nfs/dbraw/zinc/46/47/43/511464743.db2.gz GBXYBNKFBWEYKX-KRWDZBQOSA-N 1 2 361.405 2.580 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nc(Cc4ccccc4)no3)C2)nc1 ZINC000292097539 511464746 /nfs/dbraw/zinc/46/47/46/511464746.db2.gz GBXYBNKFBWEYKX-KRWDZBQOSA-N 1 2 361.405 2.580 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nc(-c4ccccc4F)no3)C2)nc1 ZINC000292158118 511487144 /nfs/dbraw/zinc/48/71/44/511487144.db2.gz KSFCVGGOEHZQIC-CQSZACIVSA-N 1 2 365.368 2.796 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nc(-c4ccccc4F)no3)C2)nc1 ZINC000292158118 511487150 /nfs/dbraw/zinc/48/71/50/511487150.db2.gz KSFCVGGOEHZQIC-CQSZACIVSA-N 1 2 365.368 2.796 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(Br)cn3)C2)nc1 ZINC000292184098 511496878 /nfs/dbraw/zinc/49/68/78/511496878.db2.gz MRFAKGZILBEMND-HNNXBMFYSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(Br)cn3)C2)nc1 ZINC000292184098 511496882 /nfs/dbraw/zinc/49/68/82/511496882.db2.gz MRFAKGZILBEMND-HNNXBMFYSA-N 1 2 359.227 2.764 20 30 FFEDLO CC1(C#N)CC[NH+](CC(=O)N[C@H](c2nccs2)c2ccccc2)CC1 ZINC000272592676 511500814 /nfs/dbraw/zinc/50/08/14/511500814.db2.gz PQSFJIOUOOBPIK-KRWDZBQOSA-N 1 2 354.479 2.974 20 30 FFEDLO Cn1c[nH+]cc1CN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000272617328 511501258 /nfs/dbraw/zinc/50/12/58/511501258.db2.gz IHEISLFVRLHYDR-KRWDZBQOSA-N 1 2 374.286 2.565 20 30 FFEDLO CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292263806 511527934 /nfs/dbraw/zinc/52/79/34/511527934.db2.gz RQATYYOSIHJZPQ-HOCLYGCPSA-N 1 2 371.441 2.723 20 30 FFEDLO CC(C)CO[C@@H](C)c1noc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292263806 511527936 /nfs/dbraw/zinc/52/79/36/511527936.db2.gz RQATYYOSIHJZPQ-HOCLYGCPSA-N 1 2 371.441 2.723 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1(C)C ZINC000295913655 511553715 /nfs/dbraw/zinc/55/37/15/511553715.db2.gz OGADZCLQUYONND-CYBMUJFWSA-N 1 2 363.343 2.929 20 30 FFEDLO Cc1nc(C(C)C)oc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000292333700 511556074 /nfs/dbraw/zinc/55/60/74/511556074.db2.gz SBJPXSVJRRWPJL-UHFFFAOYSA-N 1 2 352.438 2.936 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000299340009 511598124 /nfs/dbraw/zinc/59/81/24/511598124.db2.gz NEHFYVUBUIBSKJ-GOSISDBHSA-N 1 2 360.421 2.848 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000299340009 511598127 /nfs/dbraw/zinc/59/81/27/511598127.db2.gz NEHFYVUBUIBSKJ-GOSISDBHSA-N 1 2 360.421 2.848 20 30 FFEDLO C=CCNC(=O)c1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc1 ZINC000301228361 511692264 /nfs/dbraw/zinc/69/22/64/511692264.db2.gz HZJWIEWWZDFBGB-UHFFFAOYSA-N 1 2 370.884 2.973 20 30 FFEDLO Cc1ccc(C2CC[NH+](CCS(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 ZINC000363675701 511698511 /nfs/dbraw/zinc/69/85/11/511698511.db2.gz UPJRZTUYJQTEQS-UHFFFAOYSA-N 1 2 369.490 2.915 20 30 FFEDLO Cc1ccc([C@@H](CNc2nc3ccccn3c2C#N)[NH+]2CCOCC2)cc1 ZINC000302090517 511705615 /nfs/dbraw/zinc/70/56/15/511705615.db2.gz MBIZNPLOSSUFOC-LJQANCHMSA-N 1 2 361.449 3.000 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000292755677 511709693 /nfs/dbraw/zinc/70/96/93/511709693.db2.gz VFVKPBSIZBWUFF-UHFFFAOYSA-N 1 2 363.465 2.940 20 30 FFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccn(-c3cccc(C#N)c3)n1)C2 ZINC000281239722 511772329 /nfs/dbraw/zinc/77/23/29/511772329.db2.gz LQOGBCSHGRSIAW-UHFFFAOYSA-N 1 2 374.448 2.799 20 30 FFEDLO NC(=[NH+]OCC(=O)Nc1ccccc1Oc1ccccc1)[C@H]1CCCO1 ZINC000284623747 511798813 /nfs/dbraw/zinc/79/88/13/511798813.db2.gz ZTCMPIZVAAPING-QGZVFWFLSA-N 1 2 355.394 2.885 20 30 FFEDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccc1C#N ZINC000327720218 511880274 /nfs/dbraw/zinc/88/02/74/511880274.db2.gz IEHAENVYWOEIOV-LJQANCHMSA-N 1 2 355.463 2.544 20 30 FFEDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)ccc1C#N ZINC000327720218 511880279 /nfs/dbraw/zinc/88/02/79/511880279.db2.gz IEHAENVYWOEIOV-LJQANCHMSA-N 1 2 355.463 2.544 20 30 FFEDLO N#C[C@@H]1N(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCC[C@]12CCCCO2 ZINC000366185641 511887141 /nfs/dbraw/zinc/88/71/41/511887141.db2.gz SHSUMIBRXZYFLA-PZJWPPBQSA-N 1 2 364.449 2.999 20 30 FFEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)Nc3cc4[nH]ccc4cc3C)C2)CC1 ZINC000328623541 511895757 /nfs/dbraw/zinc/89/57/57/511895757.db2.gz YZAOHTITRQVJIB-KRWDZBQOSA-N 1 2 355.486 2.734 20 30 FFEDLO N#Cc1ccc(CSCC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000366236523 511916365 /nfs/dbraw/zinc/91/63/65/511916365.db2.gz VTFGZTNNVYOPDA-OALUTQOASA-N 1 2 373.522 2.551 20 30 FFEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C(C)C ZINC000281657977 511921902 /nfs/dbraw/zinc/92/19/02/511921902.db2.gz YDZXCNQRHYAUKP-SFHVURJKSA-N 1 2 364.449 2.599 20 30 FFEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2coc(C3CCCCC3)n2)CC1 ZINC000328731036 511923105 /nfs/dbraw/zinc/92/31/05/511923105.db2.gz GJPBHIHLAUKQKK-UHFFFAOYSA-N 1 2 362.474 2.847 20 30 FFEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2coc(C3CCCCC3)n2)CC1 ZINC000328731036 511923111 /nfs/dbraw/zinc/92/31/11/511923111.db2.gz GJPBHIHLAUKQKK-UHFFFAOYSA-N 1 2 362.474 2.847 20 30 FFEDLO C[C@H](CNC(=O)C(C)(C)S(=O)(=O)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000328814173 511934557 /nfs/dbraw/zinc/93/45/57/511934557.db2.gz NRNJFJMFHCJUJV-CQSZACIVSA-N 1 2 364.511 2.746 20 30 FFEDLO C[C@H](CNC(=O)C(C)(C)S(=O)(=O)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000328814173 511934563 /nfs/dbraw/zinc/93/45/63/511934563.db2.gz NRNJFJMFHCJUJV-CQSZACIVSA-N 1 2 364.511 2.746 20 30 FFEDLO CCCc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000293374440 511940589 /nfs/dbraw/zinc/94/05/89/511940589.db2.gz FWKGFQRVPBHXTD-MSOLQXFVSA-N 1 2 361.511 2.638 20 30 FFEDLO CC1(C)C[N@H+](CC(=O)NC2CCOCC2)C[C@@H](COc2ccccc2)O1 ZINC000328932355 511952416 /nfs/dbraw/zinc/95/24/16/511952416.db2.gz DKAKZYYJXSDMMO-SFHVURJKSA-N 1 2 362.470 2.680 20 30 FFEDLO CC1(C)C[N@@H+](CC(=O)NC2CCOCC2)C[C@@H](COc2ccccc2)O1 ZINC000328932355 511952421 /nfs/dbraw/zinc/95/24/21/511952421.db2.gz DKAKZYYJXSDMMO-SFHVURJKSA-N 1 2 362.470 2.680 20 30 FFEDLO C[C@@H]1C[C@@H](C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CCC1=O ZINC000328958071 511956809 /nfs/dbraw/zinc/95/68/09/511956809.db2.gz ZWMMBCFGFAQFOA-OLZOCXBDSA-N 1 2 356.426 2.993 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]3CCc4[nH]nnc4C3)c2)C[C@H](C)O1 ZINC000329019053 511968372 /nfs/dbraw/zinc/96/83/72/511968372.db2.gz LDISIJXRWUDGJV-IJEWVQPXSA-N 1 2 369.469 2.807 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3CCc4[nH]nnc4C3)c2)C[C@H](C)O1 ZINC000329019053 511968378 /nfs/dbraw/zinc/96/83/78/511968378.db2.gz LDISIJXRWUDGJV-IJEWVQPXSA-N 1 2 369.469 2.807 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]3CCc4nn[nH]c4C3)c2)C[C@H](C)O1 ZINC000329019053 511968386 /nfs/dbraw/zinc/96/83/86/511968386.db2.gz LDISIJXRWUDGJV-IJEWVQPXSA-N 1 2 369.469 2.807 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3CCc4nn[nH]c4C3)c2)C[C@H](C)O1 ZINC000329019053 511968391 /nfs/dbraw/zinc/96/83/91/511968391.db2.gz LDISIJXRWUDGJV-IJEWVQPXSA-N 1 2 369.469 2.807 20 30 FFEDLO CC(C)c1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c2cnn(C(C)C)c2n1 ZINC000329074358 511977594 /nfs/dbraw/zinc/97/75/94/511977594.db2.gz PFFAQBWOOPBKIW-CQSZACIVSA-N 1 2 359.474 2.771 20 30 FFEDLO CC(C)c1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c2cnn(C(C)C)c2n1 ZINC000329074358 511977602 /nfs/dbraw/zinc/97/76/02/511977602.db2.gz PFFAQBWOOPBKIW-CQSZACIVSA-N 1 2 359.474 2.771 20 30 FFEDLO Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c(C)c1 ZINC000329086584 511981050 /nfs/dbraw/zinc/98/10/50/511981050.db2.gz UVZWAJNVEIYDRH-NRFANRHFSA-N 1 2 360.498 2.992 20 30 FFEDLO Cc1cc(C)c(CCNC(=O)C[N@H+]2CCO[C@@]3(CCCOC3)C2)c(C)c1 ZINC000329086584 511981054 /nfs/dbraw/zinc/98/10/54/511981054.db2.gz UVZWAJNVEIYDRH-NRFANRHFSA-N 1 2 360.498 2.992 20 30 FFEDLO O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000329112741 511985736 /nfs/dbraw/zinc/98/57/36/511985736.db2.gz KVIHGRFIHKGDTL-KRWDZBQOSA-N 1 2 371.481 2.768 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H]1C=CCCC1 ZINC000329151016 511993802 /nfs/dbraw/zinc/99/38/02/511993802.db2.gz SAURXWPDQQDEKS-XHSDSOJGSA-N 1 2 350.438 2.816 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H]1C=CCCC1 ZINC000329151016 511993809 /nfs/dbraw/zinc/99/38/09/511993809.db2.gz SAURXWPDQQDEKS-XHSDSOJGSA-N 1 2 350.438 2.816 20 30 FFEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366392640 511997507 /nfs/dbraw/zinc/99/75/07/511997507.db2.gz AJEUAIGQQMMMNA-HIFRSBDPSA-N 1 2 361.405 2.816 20 30 FFEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366392640 511997512 /nfs/dbraw/zinc/99/75/12/511997512.db2.gz AJEUAIGQQMMMNA-HIFRSBDPSA-N 1 2 361.405 2.816 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000281888562 512000841 /nfs/dbraw/zinc/00/08/41/512000841.db2.gz WBQBLCMWZQLNIR-NXHRZFHOSA-N 1 2 372.444 2.929 20 30 FFEDLO O=C(Nc1cc(F)c(F)cc1N1CCOCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329214836 512006429 /nfs/dbraw/zinc/00/64/29/512006429.db2.gz LTQYXPYAQMCWEH-LBPRGKRZSA-N 1 2 362.380 2.849 20 30 FFEDLO CN(C(=O)C[N@@H+]1CCC2(C1)Oc1ccccc1O2)C1(C#N)CCCCC1 ZINC000329281244 512020312 /nfs/dbraw/zinc/02/03/12/512020312.db2.gz ABQVHTAKOBNUKB-UHFFFAOYSA-N 1 2 355.438 2.545 20 30 FFEDLO CN(C(=O)C[N@H+]1CCC2(C1)Oc1ccccc1O2)C1(C#N)CCCCC1 ZINC000329281244 512020319 /nfs/dbraw/zinc/02/03/19/512020319.db2.gz ABQVHTAKOBNUKB-UHFFFAOYSA-N 1 2 355.438 2.545 20 30 FFEDLO C=CCN(C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000275054382 512027061 /nfs/dbraw/zinc/02/70/61/512027061.db2.gz ZICPWHVVAGOPRS-UHFFFAOYSA-N 1 2 351.248 2.775 20 30 FFEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000329417013 512041307 /nfs/dbraw/zinc/04/13/07/512041307.db2.gz FXSZRABSGCAQAF-WMZOPIPTSA-N 1 2 370.453 2.951 20 30 FFEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000329417013 512041313 /nfs/dbraw/zinc/04/13/13/512041313.db2.gz FXSZRABSGCAQAF-WMZOPIPTSA-N 1 2 370.453 2.951 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C2)[nH]1 ZINC000329430363 512046113 /nfs/dbraw/zinc/04/61/13/512046113.db2.gz ICQHCMRCCKEGAH-CQSZACIVSA-N 1 2 371.441 2.742 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C2)[nH]1 ZINC000329430363 512046115 /nfs/dbraw/zinc/04/61/15/512046115.db2.gz ICQHCMRCCKEGAH-CQSZACIVSA-N 1 2 371.441 2.742 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C2)n1 ZINC000329430363 512046117 /nfs/dbraw/zinc/04/61/17/512046117.db2.gz ICQHCMRCCKEGAH-CQSZACIVSA-N 1 2 371.441 2.742 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C2)n1 ZINC000329430363 512046119 /nfs/dbraw/zinc/04/61/19/512046119.db2.gz ICQHCMRCCKEGAH-CQSZACIVSA-N 1 2 371.441 2.742 20 30 FFEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ncc(C4CCCCC4)s3)C[C@@H]21 ZINC000329476817 512053728 /nfs/dbraw/zinc/05/37/28/512053728.db2.gz UFPNSUFJVTYIGE-UONOGXRCSA-N 1 2 350.488 2.751 20 30 FFEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ncc(C4CCCCC4)s3)C[C@@H]21 ZINC000329476817 512053734 /nfs/dbraw/zinc/05/37/34/512053734.db2.gz UFPNSUFJVTYIGE-UONOGXRCSA-N 1 2 350.488 2.751 20 30 FFEDLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CCC[C@H]1CO ZINC000329494904 512056856 /nfs/dbraw/zinc/05/68/56/512056856.db2.gz DILZCVLTVAGXJN-BBRMVZONSA-N 1 2 369.868 2.987 20 30 FFEDLO C[C@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c2ccsc2S1(=O)=O ZINC000329723418 512089862 /nfs/dbraw/zinc/08/98/62/512089862.db2.gz FNRPEBWUOIUJNR-WDMOLILDSA-N 1 2 365.480 2.771 20 30 FFEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CCCCC23CCCC3)CCO1 ZINC000329820313 512100958 /nfs/dbraw/zinc/10/09/58/512100958.db2.gz PLVIEXIQNIYOEA-CVEARBPZSA-N 1 2 366.506 2.571 20 30 FFEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CCCCC23CCCC3)CCO1 ZINC000329820313 512100959 /nfs/dbraw/zinc/10/09/59/512100959.db2.gz PLVIEXIQNIYOEA-CVEARBPZSA-N 1 2 366.506 2.571 20 30 FFEDLO Cc1noc(C2(C)CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)n1 ZINC000371653142 512510522 /nfs/dbraw/zinc/51/05/22/512510522.db2.gz BDVBIKJUAZFXBL-ZDUSSCGKSA-N 1 2 353.426 2.630 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)CSCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000371703874 512535560 /nfs/dbraw/zinc/53/55/60/512535560.db2.gz QKIJYZPZLDOGFA-CZUORRHYSA-N 1 2 357.401 2.612 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)CSCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000371703874 512535564 /nfs/dbraw/zinc/53/55/64/512535564.db2.gz QKIJYZPZLDOGFA-CZUORRHYSA-N 1 2 357.401 2.612 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000375976020 512597304 /nfs/dbraw/zinc/59/73/04/512597304.db2.gz SUBZJTRGCCTCFM-IAGOWNOFSA-N 1 2 365.518 2.742 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000374026066 512628452 /nfs/dbraw/zinc/62/84/52/512628452.db2.gz IQQTYISUVCLNMY-AXHMDWHKSA-N 1 2 357.454 2.544 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000374026066 512628457 /nfs/dbraw/zinc/62/84/57/512628457.db2.gz IQQTYISUVCLNMY-AXHMDWHKSA-N 1 2 357.454 2.544 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000369855954 512648540 /nfs/dbraw/zinc/64/85/40/512648540.db2.gz KYXDGQQXWKYTDX-LBPRGKRZSA-N 1 2 350.831 2.503 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000374291948 512750252 /nfs/dbraw/zinc/75/02/52/512750252.db2.gz LVMAWBZUHNNEAJ-UHFFFAOYSA-N 1 2 370.403 2.533 20 30 FFEDLO COc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC[NH2+]1 ZINC000374336482 512775937 /nfs/dbraw/zinc/77/59/37/512775937.db2.gz GAULFLLMVXOKFT-BEFAXECRSA-N 1 2 365.433 2.507 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000376505957 512847632 /nfs/dbraw/zinc/84/76/32/512847632.db2.gz IWBNVWBHNHJNIU-CYBMUJFWSA-N 1 2 372.270 2.903 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000376505957 512847635 /nfs/dbraw/zinc/84/76/35/512847635.db2.gz IWBNVWBHNHJNIU-CYBMUJFWSA-N 1 2 372.270 2.903 20 30 FFEDLO C=CCOc1ccc(CNC(=O)N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000376525690 512857729 /nfs/dbraw/zinc/85/77/29/512857729.db2.gz GJJWNLQKWHSPPL-SFHVURJKSA-N 1 2 369.469 2.563 20 30 FFEDLO C=CCOc1ccc(/C=C/C(=O)N2CCn3cc(C)[nH+]c3C2)cc1OC ZINC000374657733 512940474 /nfs/dbraw/zinc/94/04/74/512940474.db2.gz ACNSQFGVKJACKC-SOFGYWHQSA-N 1 2 353.422 2.821 20 30 FFEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000450418996 513185731 /nfs/dbraw/zinc/18/57/31/513185731.db2.gz NKCUUODZDKSTIM-ZDUSSCGKSA-N 1 2 355.373 2.884 20 30 FFEDLO C=CCCn1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)nn1 ZINC000424606029 513202666 /nfs/dbraw/zinc/20/26/66/513202666.db2.gz IVPIBRPAPCLXEU-ZDUSSCGKSA-N 1 2 360.487 2.795 20 30 FFEDLO C=CCCn1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)nn1 ZINC000424606029 513202669 /nfs/dbraw/zinc/20/26/69/513202669.db2.gz IVPIBRPAPCLXEU-ZDUSSCGKSA-N 1 2 360.487 2.795 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000429001274 513248680 /nfs/dbraw/zinc/24/86/80/513248680.db2.gz UQIBKZHYGOTKJW-AWEZNQCLSA-N 1 2 366.868 2.752 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000429001274 513248684 /nfs/dbraw/zinc/24/86/84/513248684.db2.gz UQIBKZHYGOTKJW-AWEZNQCLSA-N 1 2 366.868 2.752 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000412810283 513283140 /nfs/dbraw/zinc/28/31/40/513283140.db2.gz AKFFTCSBYLQNQD-HXUWFJFHSA-N 1 2 364.493 2.507 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000412843008 513297156 /nfs/dbraw/zinc/29/71/56/513297156.db2.gz RLDXHFJVJBKKEY-FQEVSTJZSA-N 1 2 365.477 2.831 20 30 FFEDLO N#Cc1cccc(NC(=O)C[S@](=O)Cc2[nH+]ccn2-c2ccccc2)c1 ZINC000434623504 513372233 /nfs/dbraw/zinc/37/22/33/513372233.db2.gz CVHNATIHTDAOFU-AREMUKBSSA-N 1 2 364.430 2.631 20 30 FFEDLO N#Cc1ncc(C(F)(F)F)cc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000413032738 513395315 /nfs/dbraw/zinc/39/53/15/513395315.db2.gz IYZXCAYHGQYLKN-UHFFFAOYSA-N 1 2 363.343 2.816 20 30 FFEDLO Cc1ccc(C#N)cc1NC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000440920834 513437825 /nfs/dbraw/zinc/43/78/25/513437825.db2.gz JCLLWOFVBOQNJV-HXUWFJFHSA-N 1 2 372.469 2.794 20 30 FFEDLO CCOC(=O)C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000434836508 513444179 /nfs/dbraw/zinc/44/41/79/513444179.db2.gz NRGXIZUGLJSFBT-UHFFFAOYSA-N 1 2 365.433 2.952 20 30 FFEDLO CCOC(=O)C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000434836508 513444187 /nfs/dbraw/zinc/44/41/87/513444187.db2.gz NRGXIZUGLJSFBT-UHFFFAOYSA-N 1 2 365.433 2.952 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000425200774 513450358 /nfs/dbraw/zinc/45/03/58/513450358.db2.gz LVMUMFFZQWLGEU-KRWDZBQOSA-N 1 2 352.394 2.779 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000425200774 513450362 /nfs/dbraw/zinc/45/03/62/513450362.db2.gz LVMUMFFZQWLGEU-KRWDZBQOSA-N 1 2 352.394 2.779 20 30 FFEDLO CCOc1cc(N2CCN(c3cc(C)[nH+]cc3C#N)CC2)ccc1[N+](=O)[O-] ZINC000425252265 513475157 /nfs/dbraw/zinc/47/51/57/513475157.db2.gz ASYQUOPIVIIAIY-UHFFFAOYSA-N 1 2 367.409 2.895 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430269180 513606334 /nfs/dbraw/zinc/60/63/34/513606334.db2.gz NGGJUWPKBXPBQA-UHFFFAOYSA-N 1 2 373.888 2.838 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430269180 513606339 /nfs/dbraw/zinc/60/63/39/513606339.db2.gz NGGJUWPKBXPBQA-UHFFFAOYSA-N 1 2 373.888 2.838 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@H](O)C(C)(C)C2)c1C#N ZINC000447874328 513611206 /nfs/dbraw/zinc/61/12/06/513611206.db2.gz WKZCYZIIOZEQLM-KRWDZBQOSA-N 1 2 358.486 2.733 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@H](O)C(C)(C)C2)c1C#N ZINC000447874328 513611212 /nfs/dbraw/zinc/61/12/12/513611212.db2.gz WKZCYZIIOZEQLM-KRWDZBQOSA-N 1 2 358.486 2.733 20 30 FFEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000425841656 513770794 /nfs/dbraw/zinc/77/07/94/513770794.db2.gz INJDPYOBNMMKAU-SOLBZPMBSA-N 1 2 356.470 2.776 20 30 FFEDLO CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)[C@@H](C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000416461983 513784639 /nfs/dbraw/zinc/78/46/39/513784639.db2.gz ZQLRXUDFJNEYMD-KNXALSJPSA-N 1 2 373.881 2.834 20 30 FFEDLO CC(C)[N@H+]1CC[C@H](NS(=O)(=O)[C@@H](C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000416461983 513784647 /nfs/dbraw/zinc/78/46/47/513784647.db2.gz ZQLRXUDFJNEYMD-KNXALSJPSA-N 1 2 373.881 2.834 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000416584419 513849457 /nfs/dbraw/zinc/84/94/57/513849457.db2.gz DEQNHVYYGGSFRI-OAHLLOKOSA-N 1 2 373.453 2.592 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000416584419 513849462 /nfs/dbraw/zinc/84/94/62/513849462.db2.gz DEQNHVYYGGSFRI-OAHLLOKOSA-N 1 2 373.453 2.592 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)NCC3(C#N)CCC3)CC2)cc1 ZINC000419652472 513871922 /nfs/dbraw/zinc/87/19/22/513871922.db2.gz UNTXOJLMIGGYKF-UHFFFAOYSA-N 1 2 356.470 2.606 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(NC(=O)c2cccs2)cc1 ZINC000414110709 513978786 /nfs/dbraw/zinc/97/87/86/513978786.db2.gz OMGDTSVHECKWFQ-OAHLLOKOSA-N 1 2 359.451 2.586 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(NC(=O)c2cccs2)cc1 ZINC000414110709 513978788 /nfs/dbraw/zinc/97/87/88/513978788.db2.gz OMGDTSVHECKWFQ-OAHLLOKOSA-N 1 2 359.451 2.586 20 30 FFEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000448957221 513991852 /nfs/dbraw/zinc/99/18/52/513991852.db2.gz RSMYOZHRWUAMRC-ZDUSSCGKSA-N 1 2 358.392 2.867 20 30 FFEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000448957221 513991859 /nfs/dbraw/zinc/99/18/59/513991859.db2.gz RSMYOZHRWUAMRC-ZDUSSCGKSA-N 1 2 358.392 2.867 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nc(-c2ccccc2)ccc1C#N ZINC000414160601 513993087 /nfs/dbraw/zinc/99/30/87/513993087.db2.gz ZSJFZVFUXMZDQW-KRWDZBQOSA-N 1 2 352.463 2.919 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nc(-c2ccccc2)ccc1C#N ZINC000414160601 513993091 /nfs/dbraw/zinc/99/30/91/513993091.db2.gz ZSJFZVFUXMZDQW-KRWDZBQOSA-N 1 2 352.463 2.919 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000414157383 513993387 /nfs/dbraw/zinc/99/33/87/513993387.db2.gz XXQZIAANVPGMNK-SFHVURJKSA-N 1 2 353.422 2.524 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000414157383 513993393 /nfs/dbraw/zinc/99/33/93/513993393.db2.gz XXQZIAANVPGMNK-SFHVURJKSA-N 1 2 353.422 2.524 20 30 FFEDLO Cc1cc(S(=O)(=O)N2CCC(CCCn3cc[nH+]c3)CC2)ccc1C#N ZINC000443889930 514062601 /nfs/dbraw/zinc/06/26/01/514062601.db2.gz SBYBXTPSIRFJLG-UHFFFAOYSA-N 1 2 372.494 2.944 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(OC(F)F)c1 ZINC000437428998 514159489 /nfs/dbraw/zinc/15/94/89/514159489.db2.gz FHXIYMFOKZWBBC-UHFFFAOYSA-N 1 2 369.375 2.749 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000437493884 514170745 /nfs/dbraw/zinc/17/07/45/514170745.db2.gz GEKIVYBHXQCSES-AZUAARDMSA-N 1 2 366.465 2.530 20 30 FFEDLO CCOC(=O)c1n[nH]c(C2CC[NH+](CC#Cc3ccccc3Cl)CC2)n1 ZINC000444814378 514343256 /nfs/dbraw/zinc/34/32/56/514343256.db2.gz DMSNALBHSCRZJX-UHFFFAOYSA-N 1 2 372.856 2.866 20 30 FFEDLO CC(C)(C)[N@@H+]1CCc2nc(NS(=O)(=O)c3ccc(C#N)o3)sc2C1 ZINC000424219646 514419682 /nfs/dbraw/zinc/41/96/82/514419682.db2.gz DZEXBSIFYFPEOX-UHFFFAOYSA-N 1 2 366.468 2.565 20 30 FFEDLO CC(C)(C)[N@H+]1CCc2nc(NS(=O)(=O)c3ccc(C#N)o3)sc2C1 ZINC000424219646 514419688 /nfs/dbraw/zinc/41/96/88/514419688.db2.gz DZEXBSIFYFPEOX-UHFFFAOYSA-N 1 2 366.468 2.565 20 30 FFEDLO N#CCc1ccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)c(Cl)c1 ZINC000452644184 514441097 /nfs/dbraw/zinc/44/10/97/514441097.db2.gz BHANUMFUZOODQJ-UHFFFAOYSA-N 1 2 370.840 2.886 20 30 FFEDLO C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)CC(C)(C)C#N ZINC000433298179 514449315 /nfs/dbraw/zinc/44/93/15/514449315.db2.gz NSAWNEBNGSFUQC-MRXNPFEDSA-N 1 2 357.454 2.603 20 30 FFEDLO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)CC(C)(C)C#N ZINC000433298179 514449321 /nfs/dbraw/zinc/44/93/21/514449321.db2.gz NSAWNEBNGSFUQC-MRXNPFEDSA-N 1 2 357.454 2.603 20 30 FFEDLO CC(C)Cc1nnc(NC(=O)C[N@H+](C)CCOc2ccc(C#N)cc2)s1 ZINC000439004472 514480860 /nfs/dbraw/zinc/48/08/60/514480860.db2.gz JHXBYBDQHGXPFX-UHFFFAOYSA-N 1 2 373.482 2.558 20 30 FFEDLO CC(C)Cc1nnc(NC(=O)C[N@@H+](C)CCOc2ccc(C#N)cc2)s1 ZINC000439004472 514480861 /nfs/dbraw/zinc/48/08/61/514480861.db2.gz JHXBYBDQHGXPFX-UHFFFAOYSA-N 1 2 373.482 2.558 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ncc(C#N)cc1Cl)c1cccc(F)c1 ZINC000439263649 514519538 /nfs/dbraw/zinc/51/95/38/514519538.db2.gz YIIRGPNECPDDGL-OAHLLOKOSA-N 1 2 369.787 2.999 20 30 FFEDLO C=C(CC)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000455519483 514570645 /nfs/dbraw/zinc/57/06/45/514570645.db2.gz IFTIAGXCGZTUDS-QGZVFWFLSA-N 1 2 358.442 2.792 20 30 FFEDLO CC(C)(C)CN1CCC[C@@H]([NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1=O ZINC000461358413 514581255 /nfs/dbraw/zinc/58/12/55/514581255.db2.gz FVHUUABDMJFNQY-UXHICEINSA-N 1 2 368.525 2.906 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)[nH]1 ZINC000475341540 514626582 /nfs/dbraw/zinc/62/65/82/514626582.db2.gz GLZMBRKIWYOJRP-SFHVURJKSA-N 1 2 372.856 2.837 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000488908556 514630883 /nfs/dbraw/zinc/63/08/83/514630883.db2.gz LYHMKTIUCJFDAO-QGZVFWFLSA-N 1 2 366.465 2.963 20 30 FFEDLO C=CCCCS(=O)(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000489267409 514777146 /nfs/dbraw/zinc/77/71/46/514777146.db2.gz KOCMSHIPHXZPIL-UHFFFAOYSA-N 1 2 371.572 2.803 20 30 FFEDLO C=CC[C@@H](CC)NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000479996536 514803119 /nfs/dbraw/zinc/80/31/19/514803119.db2.gz YBSCQNKXFSXAIQ-GOSISDBHSA-N 1 2 361.486 2.552 20 30 FFEDLO C=CCCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000489685888 514937722 /nfs/dbraw/zinc/93/77/22/514937722.db2.gz BFXNDACWTIHBSF-SJORKVTESA-N 1 2 372.918 2.597 20 30 FFEDLO C=CCCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000489685888 514937726 /nfs/dbraw/zinc/93/77/26/514937726.db2.gz BFXNDACWTIHBSF-SJORKVTESA-N 1 2 372.918 2.597 20 30 FFEDLO COc1ccc(CN2CCC[N@H+](Cc3cccc(C#N)c3F)CC2=O)cc1 ZINC000467234142 514949275 /nfs/dbraw/zinc/94/92/75/514949275.db2.gz ZFNUQTXLIYFEIW-UHFFFAOYSA-N 1 2 367.424 2.940 20 30 FFEDLO COc1ccc(CN2CCC[N@@H+](Cc3cccc(C#N)c3F)CC2=O)cc1 ZINC000467234142 514949284 /nfs/dbraw/zinc/94/92/84/514949284.db2.gz ZFNUQTXLIYFEIW-UHFFFAOYSA-N 1 2 367.424 2.940 20 30 FFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000467304290 514973243 /nfs/dbraw/zinc/97/32/43/514973243.db2.gz KVMGNBWFXBKXQW-XPKDYRNWSA-N 1 2 350.365 2.933 20 30 FFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000467304290 514973251 /nfs/dbraw/zinc/97/32/51/514973251.db2.gz KVMGNBWFXBKXQW-XPKDYRNWSA-N 1 2 350.365 2.933 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)Cc1c(F)cccc1C#N)C2 ZINC000509058357 515006173 /nfs/dbraw/zinc/00/61/73/515006173.db2.gz VZXYEGSWOUTHKC-CQSZACIVSA-N 1 2 354.429 2.865 20 30 FFEDLO N#C[C@H]1C[N@@H+](Cc2cccc(O)c2Cl)C[C@@]12C(=O)Nc1ccccc12 ZINC000509093713 515020092 /nfs/dbraw/zinc/02/00/92/515020092.db2.gz JGAWXXPVVBCPDY-ORAYPTAESA-N 1 2 353.809 2.891 20 30 FFEDLO N#C[C@H]1C[N@H+](Cc2cccc(O)c2Cl)C[C@@]12C(=O)Nc1ccccc12 ZINC000509093713 515020101 /nfs/dbraw/zinc/02/01/01/515020101.db2.gz JGAWXXPVVBCPDY-ORAYPTAESA-N 1 2 353.809 2.891 20 30 FFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000453985444 515096567 /nfs/dbraw/zinc/09/65/67/515096567.db2.gz WXULAKOWSCMLGX-NSHDSACASA-N 1 2 373.482 2.950 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CCC(C(=O)OCC)CC1)Cc1cccs1 ZINC000499064922 515186356 /nfs/dbraw/zinc/18/63/56/515186356.db2.gz OCBHSOLCWVXCLL-UHFFFAOYSA-N 1 2 350.484 2.538 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CCC(C(=O)OCC)CC1)Cc1cccs1 ZINC000499064922 515186364 /nfs/dbraw/zinc/18/63/64/515186364.db2.gz OCBHSOLCWVXCLL-UHFFFAOYSA-N 1 2 350.484 2.538 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000504251805 515252113 /nfs/dbraw/zinc/25/21/13/515252113.db2.gz QZDJTNMATKEMFS-YJBOKZPZSA-N 1 2 374.366 2.936 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000504251805 515252121 /nfs/dbraw/zinc/25/21/21/515252121.db2.gz QZDJTNMATKEMFS-YJBOKZPZSA-N 1 2 374.366 2.936 20 30 FFEDLO N#Cc1cccc(-c2cc(C(=O)NCCc3cn4ccccc4[nH+]3)on2)c1 ZINC000468247237 515282071 /nfs/dbraw/zinc/28/20/71/515282071.db2.gz OMVVVHDATZBLHY-UHFFFAOYSA-N 1 2 357.373 2.833 20 30 FFEDLO CC(C)[C@@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000481303580 515283780 /nfs/dbraw/zinc/28/37/80/515283780.db2.gz WWOALNYABUQVBE-KRWDZBQOSA-N 1 2 368.399 2.530 20 30 FFEDLO CC(C)[C@@H]1C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000481303580 515283789 /nfs/dbraw/zinc/28/37/89/515283789.db2.gz WWOALNYABUQVBE-KRWDZBQOSA-N 1 2 368.399 2.530 20 30 FFEDLO C=C(C)CS(=O)(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000477457059 515464017 /nfs/dbraw/zinc/46/40/17/515464017.db2.gz SUJADWKESJQUTF-LPHOPBHVSA-N 1 2 365.543 2.828 20 30 FFEDLO C=C(C)CS(=O)(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000477457059 515464026 /nfs/dbraw/zinc/46/40/26/515464026.db2.gz SUJADWKESJQUTF-LPHOPBHVSA-N 1 2 365.543 2.828 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000481846717 515487061 /nfs/dbraw/zinc/48/70/61/515487061.db2.gz ZSXQCPGMUBFIFH-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO Cc1nc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)ccc1C#N ZINC000492196277 515515125 /nfs/dbraw/zinc/51/51/25/515515125.db2.gz TVVBQZVYFQDECQ-UHFFFAOYSA-N 1 2 370.210 2.602 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000499940944 515525329 /nfs/dbraw/zinc/52/53/29/515525329.db2.gz UIRNARAYKMJCPM-KHIZAZIESA-N 1 2 355.841 2.545 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](c2cccs2)C(C)(C)C)C1=O ZINC000500017306 515559359 /nfs/dbraw/zinc/55/93/59/515559359.db2.gz UIZIPAGHGCCGOO-RHSMWYFYSA-N 1 2 363.527 2.670 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](c2cccs2)C(C)(C)C)C1=O ZINC000500017306 515559369 /nfs/dbraw/zinc/55/93/69/515559369.db2.gz UIZIPAGHGCCGOO-RHSMWYFYSA-N 1 2 363.527 2.670 20 30 FFEDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459519948 515615016 /nfs/dbraw/zinc/61/50/16/515615016.db2.gz SHSNGRPCWRYDPB-GFCCVEGCSA-N 1 2 356.348 2.782 20 30 FFEDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459519948 515615029 /nfs/dbraw/zinc/61/50/29/515615029.db2.gz SHSNGRPCWRYDPB-GFCCVEGCSA-N 1 2 356.348 2.782 20 30 FFEDLO COC(=O)c1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000459540854 515632742 /nfs/dbraw/zinc/63/27/42/515632742.db2.gz RYTXQBJHRRXHLM-CQSZACIVSA-N 1 2 363.417 2.730 20 30 FFEDLO COC(=O)c1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000459540854 515632745 /nfs/dbraw/zinc/63/27/45/515632745.db2.gz RYTXQBJHRRXHLM-CQSZACIVSA-N 1 2 363.417 2.730 20 30 FFEDLO COC(=O)c1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000459540837 515634082 /nfs/dbraw/zinc/63/40/82/515634082.db2.gz RYTXQBJHRRXHLM-AWEZNQCLSA-N 1 2 363.417 2.730 20 30 FFEDLO COC(=O)c1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000459540837 515634090 /nfs/dbraw/zinc/63/40/90/515634090.db2.gz RYTXQBJHRRXHLM-AWEZNQCLSA-N 1 2 363.417 2.730 20 30 FFEDLO N#CC1(F)CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000510888998 515704460 /nfs/dbraw/zinc/70/44/60/515704460.db2.gz YTBRLCPUKQLGJZ-AWEZNQCLSA-N 1 2 366.234 2.882 20 30 FFEDLO N#C[C@@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)C1CCCCC1 ZINC000494092986 515732489 /nfs/dbraw/zinc/73/24/89/515732489.db2.gz VLBWCNCEHJLWEU-QGZVFWFLSA-N 1 2 358.467 2.682 20 30 FFEDLO N#CC1(NC(=O)c2cccc3n[nH]cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000482696054 515774365 /nfs/dbraw/zinc/77/43/65/515774365.db2.gz QUWATLAYDUMDJN-UHFFFAOYSA-N 1 2 359.433 2.851 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000469464265 515828803 /nfs/dbraw/zinc/82/88/03/515828803.db2.gz GTBMJJSQQDNXPA-INIZCTEOSA-N 1 2 355.388 2.942 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000469464265 515828811 /nfs/dbraw/zinc/82/88/11/515828811.db2.gz GTBMJJSQQDNXPA-INIZCTEOSA-N 1 2 355.388 2.942 20 30 FFEDLO Cc1ccncc1C[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000483002973 515879004 /nfs/dbraw/zinc/87/90/04/515879004.db2.gz BLKURZKFEXVXIO-UHFFFAOYSA-N 1 2 360.421 2.518 20 30 FFEDLO Cc1ccncc1C[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000483002973 515879012 /nfs/dbraw/zinc/87/90/12/515879012.db2.gz BLKURZKFEXVXIO-UHFFFAOYSA-N 1 2 360.421 2.518 20 30 FFEDLO CCOC(=O)c1coc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000474149129 515904980 /nfs/dbraw/zinc/90/49/80/515904980.db2.gz ZKLFBFUFKPLZCY-UHFFFAOYSA-N 1 2 357.385 2.789 20 30 FFEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)NCC(C)(C)C#N)c2ccc(Cl)cc2)C1 ZINC000501112912 515985659 /nfs/dbraw/zinc/98/56/59/515985659.db2.gz VBJKIAVVEQIJEV-JKSUJKDBSA-N 1 2 364.877 2.561 20 30 FFEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)NCC(C)(C)C#N)c2ccc(Cl)cc2)C1 ZINC000501112912 515985667 /nfs/dbraw/zinc/98/56/67/515985667.db2.gz VBJKIAVVEQIJEV-JKSUJKDBSA-N 1 2 364.877 2.561 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000487815327 515989576 /nfs/dbraw/zinc/98/95/76/515989576.db2.gz HWDVPCRZDBPUCW-HZPDHXFCSA-N 1 2 363.527 2.814 20 30 FFEDLO C=CCNC(=O)C[NH+]1CCN([C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000488047573 516094771 /nfs/dbraw/zinc/09/47/71/516094771.db2.gz WHDJDXYUNUYRBD-KRWDZBQOSA-N 1 2 368.308 2.901 20 30 FFEDLO C=C[C@@H](C)NC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000465227514 516101469 /nfs/dbraw/zinc/10/14/69/516101469.db2.gz WGRFHYVGPXLGKW-CZUORRHYSA-N 1 2 371.403 2.952 20 30 FFEDLO Cc1ccc(C)c(N2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)c1 ZINC000483538807 516126585 /nfs/dbraw/zinc/12/65/85/516126585.db2.gz NQBPRQXMEGHQHW-UHFFFAOYSA-N 1 2 362.477 2.614 20 30 FFEDLO CN(C(=O)C[N@H+](C)C[C@H]1OCCc2ccccc21)C1(C#N)CCCCC1 ZINC000507220768 516130032 /nfs/dbraw/zinc/13/00/32/516130032.db2.gz ZUYICIBWCHUMGS-LJQANCHMSA-N 1 2 355.482 2.917 20 30 FFEDLO CN(C(=O)C[N@@H+](C)C[C@H]1OCCc2ccccc21)C1(C#N)CCCCC1 ZINC000507220768 516130039 /nfs/dbraw/zinc/13/00/39/516130039.db2.gz ZUYICIBWCHUMGS-LJQANCHMSA-N 1 2 355.482 2.917 20 30 FFEDLO N#CC[C@@H](CC(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccccc1 ZINC000474700398 516162411 /nfs/dbraw/zinc/16/24/11/516162411.db2.gz DEZDFUMJIMPEKH-SFHVURJKSA-N 1 2 364.449 2.622 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000512189635 516190234 /nfs/dbraw/zinc/19/02/34/516190234.db2.gz NHHSNFCWYYOSME-KRWDZBQOSA-N 1 2 366.440 2.661 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)c1cccc(C#N)c1 ZINC000512562505 516304966 /nfs/dbraw/zinc/30/49/66/516304966.db2.gz XEDQDJWCUZPMSC-IRXDYDNUSA-N 1 2 356.401 2.506 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)c1cccc(C#N)c1 ZINC000512562505 516304970 /nfs/dbraw/zinc/30/49/70/516304970.db2.gz XEDQDJWCUZPMSC-IRXDYDNUSA-N 1 2 356.401 2.506 20 30 FFEDLO CCc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000497472334 516323357 /nfs/dbraw/zinc/32/33/57/516323357.db2.gz KVCQNBQRGVVLHZ-INIZCTEOSA-N 1 2 363.465 2.665 20 30 FFEDLO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccoc1 ZINC000497476842 516323410 /nfs/dbraw/zinc/32/34/10/516323410.db2.gz SVORTGKXJZXTGT-UHFFFAOYSA-N 1 2 350.340 2.898 20 30 FFEDLO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccoc1 ZINC000497476842 516323411 /nfs/dbraw/zinc/32/34/11/516323411.db2.gz SVORTGKXJZXTGT-UHFFFAOYSA-N 1 2 350.340 2.898 20 30 FFEDLO C=CCCCCNC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000547443008 516340446 /nfs/dbraw/zinc/34/04/46/516340446.db2.gz LHPPTNWAQKOJDL-UHFFFAOYSA-N 1 2 359.470 2.641 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN([C@H]3CCN(C4CCCCC4)C3=O)CC2)cc1 ZINC000528352743 516371422 /nfs/dbraw/zinc/37/14/22/516371422.db2.gz WGRFTWFPDPDXJO-NRFANRHFSA-N 1 2 366.509 2.609 20 30 FFEDLO N#Cc1ccc(CN2CC[NH+]([C@H]3CCN(C4CCCCC4)C3=O)CC2)cc1 ZINC000528352743 516371428 /nfs/dbraw/zinc/37/14/28/516371428.db2.gz WGRFTWFPDPDXJO-NRFANRHFSA-N 1 2 366.509 2.609 20 30 FFEDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528368459 516382770 /nfs/dbraw/zinc/38/27/70/516382770.db2.gz MIVWTYMJOWHLNE-DYESRHJHSA-N 1 2 374.440 2.748 20 30 FFEDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528368459 516382774 /nfs/dbraw/zinc/38/27/74/516382774.db2.gz MIVWTYMJOWHLNE-DYESRHJHSA-N 1 2 374.440 2.748 20 30 FFEDLO N#CCC1CCN(C(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000543822942 516445411 /nfs/dbraw/zinc/44/54/11/516445411.db2.gz JMEAVFIEKYHHAZ-UHFFFAOYSA-N 1 2 364.405 2.965 20 30 FFEDLO COc1ccccc1[C@H](CO)[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000543836706 516451131 /nfs/dbraw/zinc/45/11/31/516451131.db2.gz SFXIHUOFQFTQHY-HNNXBMFYSA-N 1 2 359.451 2.507 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)c(F)c3)C2)nc1 ZINC000528509214 516490472 /nfs/dbraw/zinc/49/04/72/516490472.db2.gz XUXLOBDESASVAL-CQSZACIVSA-N 1 2 374.803 2.838 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)c(F)c3)C2)nc1 ZINC000528509214 516490483 /nfs/dbraw/zinc/49/04/83/516490483.db2.gz XUXLOBDESASVAL-CQSZACIVSA-N 1 2 374.803 2.838 20 30 FFEDLO C=CCNC(=O)c1ccc(N2CCC(CCCn3cc[nH+]c3)CC2)nc1 ZINC000543978401 516523138 /nfs/dbraw/zinc/52/31/38/516523138.db2.gz MBUMVKIRDOHWFT-UHFFFAOYSA-N 1 2 353.470 2.891 20 30 FFEDLO CC[N@H+](CC(=O)N1CCCCCC1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000513211300 516524108 /nfs/dbraw/zinc/52/41/08/516524108.db2.gz WBEIRWCEDYXWJD-OAHLLOKOSA-N 1 2 374.485 2.820 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCCCCC1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000513211300 516524117 /nfs/dbraw/zinc/52/41/17/516524117.db2.gz WBEIRWCEDYXWJD-OAHLLOKOSA-N 1 2 374.485 2.820 20 30 FFEDLO C=CC[C@H](CO)CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540414432 516543133 /nfs/dbraw/zinc/54/31/33/516543133.db2.gz NFLFUTRXCDARPA-AFAVFJNCSA-N 1 2 369.868 2.708 20 30 FFEDLO C=CC[C@H](CO)CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540414432 516543141 /nfs/dbraw/zinc/54/31/41/516543141.db2.gz NFLFUTRXCDARPA-AFAVFJNCSA-N 1 2 369.868 2.708 20 30 FFEDLO Cn1c2ccc(CNS(=O)(=O)c3ccc(C#N)s3)cc2[nH+]c1C1CC1 ZINC000554707768 516598754 /nfs/dbraw/zinc/59/87/54/516598754.db2.gz TTXRKUIVQQKNRT-UHFFFAOYSA-N 1 2 372.475 2.862 20 30 FFEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1ccc(C#N)nc1 ZINC000528702120 516629913 /nfs/dbraw/zinc/62/99/13/516629913.db2.gz NYSJOJGHCWWQGU-UHFFFAOYSA-N 1 2 363.465 2.656 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCc4nc(C5CC5)ncc4C3)C2=O)cc1 ZINC000528739582 516663729 /nfs/dbraw/zinc/66/37/29/516663729.db2.gz MJJONUGROILRDC-FQEVSTJZSA-N 1 2 373.460 2.779 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCc4nc(C5CC5)ncc4C3)C2=O)cc1 ZINC000528739582 516663735 /nfs/dbraw/zinc/66/37/35/516663735.db2.gz MJJONUGROILRDC-FQEVSTJZSA-N 1 2 373.460 2.779 20 30 FFEDLO CC(C)(C#N)CCS(=O)(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000554908528 516692922 /nfs/dbraw/zinc/69/29/22/516692922.db2.gz XIXGNVCZZYJCQG-UHFFFAOYSA-N 1 2 369.918 2.557 20 30 FFEDLO CC(C)(C#N)CCS(=O)(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000554908528 516692929 /nfs/dbraw/zinc/69/29/29/516692929.db2.gz XIXGNVCZZYJCQG-UHFFFAOYSA-N 1 2 369.918 2.557 20 30 FFEDLO C=CCCCCC[N@@H+](C)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000558461530 516755785 /nfs/dbraw/zinc/75/57/85/516755785.db2.gz KPYLLUUEYSQYBP-SFHVURJKSA-N 1 2 370.559 2.623 20 30 FFEDLO C=CCCCCC[N@H+](C)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000558461530 516755791 /nfs/dbraw/zinc/75/57/91/516755791.db2.gz KPYLLUUEYSQYBP-SFHVURJKSA-N 1 2 370.559 2.623 20 30 FFEDLO C=C(CC)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000536892963 516967569 /nfs/dbraw/zinc/96/75/69/516967569.db2.gz IURZNMPETCNXML-UHFFFAOYSA-N 1 2 358.891 2.621 20 30 FFEDLO COc1cccc(CN(C)C(=O)C[N@H+](CCC#N)CC(C)(C)C)c1OC ZINC000525329231 517008937 /nfs/dbraw/zinc/00/89/37/517008937.db2.gz NCCRPCDVJVQTDM-UHFFFAOYSA-N 1 2 361.486 2.924 20 30 FFEDLO COc1cccc(CN(C)C(=O)C[N@@H+](CCC#N)CC(C)(C)C)c1OC ZINC000525329231 517008946 /nfs/dbraw/zinc/00/89/46/517008946.db2.gz NCCRPCDVJVQTDM-UHFFFAOYSA-N 1 2 361.486 2.924 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCCc1cccc(C#N)c1 ZINC000514744115 517035864 /nfs/dbraw/zinc/03/58/64/517035864.db2.gz NJMJOHDCPHKZPS-UHFFFAOYSA-N 1 2 354.360 2.854 20 30 FFEDLO CCc1ccc(O[C@H](C)C(=O)N2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000559094440 517079615 /nfs/dbraw/zinc/07/96/15/517079615.db2.gz IWZREWAAKBJEFG-BHIYHBOVSA-N 1 2 355.482 2.853 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(Br)c[nH]3)CC2)cc1 ZINC000514839491 517083363 /nfs/dbraw/zinc/08/33/63/517083363.db2.gz WKQLLEOXUHLYBF-UHFFFAOYSA-N 1 2 373.254 2.607 20 30 FFEDLO C[N@@H+]1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@H](c2ccccc2)C1 ZINC000537304901 517136636 /nfs/dbraw/zinc/13/66/36/517136636.db2.gz YJTRPJHVTLVBEP-NRFANRHFSA-N 1 2 371.444 2.873 20 30 FFEDLO C[N@H+]1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@H](c2ccccc2)C1 ZINC000537304901 517136642 /nfs/dbraw/zinc/13/66/42/517136642.db2.gz YJTRPJHVTLVBEP-NRFANRHFSA-N 1 2 371.444 2.873 20 30 FFEDLO C[S@](=O)C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000541611165 517139921 /nfs/dbraw/zinc/13/99/21/517139921.db2.gz OPOVLVRTEJOZMT-QLXKLKPCSA-N 1 2 366.446 2.818 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000533065528 517276255 /nfs/dbraw/zinc/27/62/55/517276255.db2.gz YWUQVNURZUCSGE-GOSISDBHSA-N 1 2 353.470 2.862 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000533065528 517276261 /nfs/dbraw/zinc/27/62/61/517276261.db2.gz YWUQVNURZUCSGE-GOSISDBHSA-N 1 2 353.470 2.862 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C#N ZINC000541894607 517279271 /nfs/dbraw/zinc/27/92/71/517279271.db2.gz PTMAKNKBFFLALT-QWHCGFSZSA-N 1 2 374.510 2.764 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C#N ZINC000541894607 517279276 /nfs/dbraw/zinc/27/92/76/517279276.db2.gz PTMAKNKBFFLALT-QWHCGFSZSA-N 1 2 374.510 2.764 20 30 FFEDLO C[C@@H](C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1)[NH+]1CCSCC1 ZINC000533089869 517289271 /nfs/dbraw/zinc/28/92/71/517289271.db2.gz IEXNEPLJWXSEJO-FZMZJTMJSA-N 1 2 373.400 2.703 20 30 FFEDLO Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc4[nH]c(C)[nH+]c4c3)CC2)o1 ZINC000526008641 517291461 /nfs/dbraw/zinc/29/14/61/517291461.db2.gz LHBKGNYUXOJHTH-UHFFFAOYSA-N 1 2 364.409 2.895 20 30 FFEDLO C[NH+](C)[C@H](CNC(=O)N1CCC(CC#N)CC1)c1c(F)cccc1F ZINC000541921989 517292929 /nfs/dbraw/zinc/29/29/29/517292929.db2.gz KDTKUHIJRQGZHM-MRXNPFEDSA-N 1 2 350.413 2.903 20 30 FFEDLO COCc1ccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C#N ZINC000529816815 517361864 /nfs/dbraw/zinc/36/18/64/517361864.db2.gz SHMOCXCIOKMPJQ-DOXZYTNZSA-N 1 2 359.470 2.777 20 30 FFEDLO Cc1cc(NCCNC(=O)c2ccc(Cl)c(C#N)c2)nc(C(C)C)[nH+]1 ZINC000529844895 517395424 /nfs/dbraw/zinc/39/54/24/517395424.db2.gz KFQHTZCZQIFXJP-UHFFFAOYSA-N 1 2 357.845 2.697 20 30 FFEDLO Cc1cc(NCCNC(=O)c2ccc(C#N)c(Cl)c2)nc(C(C)C)[nH+]1 ZINC000529846650 517396974 /nfs/dbraw/zinc/39/69/74/517396974.db2.gz YCGHLTWLNOKSKH-UHFFFAOYSA-N 1 2 357.845 2.697 20 30 FFEDLO C[C@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000520529690 517424318 /nfs/dbraw/zinc/42/43/18/517424318.db2.gz FZRFGUCWESVVRJ-OALUTQOASA-N 1 2 362.473 2.925 20 30 FFEDLO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000549326312 517514590 /nfs/dbraw/zinc/51/45/90/517514590.db2.gz APRPDMJDHDVOPS-UHFFFAOYSA-N 1 2 368.441 2.733 20 30 FFEDLO CC[C@H]1CN(S(=O)(=O)c2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000546076215 517529696 /nfs/dbraw/zinc/52/96/96/517529696.db2.gz RTJVYJMTBGTMRO-IBGZPJMESA-N 1 2 369.490 2.843 20 30 FFEDLO CC[C@H]1CN(S(=O)(=O)c2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000546076215 517529702 /nfs/dbraw/zinc/52/97/02/517529702.db2.gz RTJVYJMTBGTMRO-IBGZPJMESA-N 1 2 369.490 2.843 20 30 FFEDLO CC(=O)c1cc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-] ZINC000553250532 517602136 /nfs/dbraw/zinc/60/21/36/517602136.db2.gz CSSVRXQLVPSELY-UHFFFAOYSA-N 1 2 364.405 2.991 20 30 FFEDLO C[N@@H+]1CCc2nc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)sc2C1 ZINC000549530850 517603048 /nfs/dbraw/zinc/60/30/48/517603048.db2.gz FJIXEKHXLHBIEC-UHFFFAOYSA-N 1 2 367.356 2.669 20 30 FFEDLO C[N@H+]1CCc2nc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)sc2C1 ZINC000549530850 517603059 /nfs/dbraw/zinc/60/30/59/517603059.db2.gz FJIXEKHXLHBIEC-UHFFFAOYSA-N 1 2 367.356 2.669 20 30 FFEDLO C=CC[C@@H](CO)NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000538404632 517607223 /nfs/dbraw/zinc/60/72/23/517607223.db2.gz LLLCAEUWLCQQKE-XJKSGUPXSA-N 1 2 369.868 2.852 20 30 FFEDLO Cc1c[nH+]ccc1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000527334746 517644350 /nfs/dbraw/zinc/64/43/50/517644350.db2.gz ONMMXDIHUOKDJF-UHFFFAOYSA-N 1 2 351.410 2.590 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCc3c(cccc3S(=O)(=O)NC)C2)cc1 ZINC000560275419 517672438 /nfs/dbraw/zinc/67/24/38/517672438.db2.gz BAPAVWRKLCWLOE-UHFFFAOYSA-N 1 2 372.490 2.718 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCc3c(cccc3S(=O)(=O)NC)C2)cc1 ZINC000560275419 517672443 /nfs/dbraw/zinc/67/24/43/517672443.db2.gz BAPAVWRKLCWLOE-UHFFFAOYSA-N 1 2 372.490 2.718 20 30 FFEDLO C=CCCCCCN(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000542687740 517686683 /nfs/dbraw/zinc/68/66/83/517686683.db2.gz ZWJYAHUNZDRNGS-UHFFFAOYSA-N 1 2 373.501 2.679 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1C#N ZINC000547335432 518086208 /nfs/dbraw/zinc/08/62/08/518086208.db2.gz AYEKLUZJLMIMSI-OAHLLOKOSA-N 1 2 358.438 2.899 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1C#N ZINC000547335432 518086212 /nfs/dbraw/zinc/08/62/12/518086212.db2.gz AYEKLUZJLMIMSI-OAHLLOKOSA-N 1 2 358.438 2.899 20 30 FFEDLO CCOC(=O)c1sc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)nc1C ZINC000543547145 518132358 /nfs/dbraw/zinc/13/23/58/518132358.db2.gz PPDIVGOQCDHJRQ-GFCCVEGCSA-N 1 2 372.450 2.789 20 30 FFEDLO Cc1ccc(-n2nc(CCCNc3nc(C)[nH+]cc3C)c(C#N)c2N)cc1 ZINC000566985745 518298197 /nfs/dbraw/zinc/29/81/97/518298197.db2.gz WRSNFXQKRAOLPB-UHFFFAOYSA-N 1 2 361.453 2.508 20 30 FFEDLO COc1ccc(OC)c(C[NH+]2CCN(c3nccc(C#N)c3Cl)CC2)c1 ZINC000572669833 518302614 /nfs/dbraw/zinc/30/26/14/518302614.db2.gz NSQYZQRWJYYFGM-UHFFFAOYSA-N 1 2 372.856 2.946 20 30 FFEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000569877221 518335113 /nfs/dbraw/zinc/33/51/13/518335113.db2.gz NAEUPXVUHUDZEI-SFHVURJKSA-N 1 2 367.453 2.601 20 30 FFEDLO C[C@@H]1C[C@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c2[nH+]ccn21 ZINC000581591838 518360907 /nfs/dbraw/zinc/36/09/07/518360907.db2.gz GDKHPJJKQKQBOD-DYVFJYSZSA-N 1 2 367.428 2.932 20 30 FFEDLO COc1cc2cc[nH+]c(N3CCN(c4cnccc4C#N)CC3)c2cc1F ZINC000572935262 518426615 /nfs/dbraw/zinc/42/66/15/518426615.db2.gz JTUPJYURFUTXEI-UHFFFAOYSA-N 1 2 363.396 2.976 20 30 FFEDLO Cc1nc(N2CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)sc1C ZINC000572964768 518442460 /nfs/dbraw/zinc/44/24/60/518442460.db2.gz YMUPEWIZRZOUAF-UHFFFAOYSA-N 1 2 357.439 2.862 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000573062459 518485790 /nfs/dbraw/zinc/48/57/90/518485790.db2.gz TZDGCIXURLDAIF-VHSSKADRSA-N 1 2 365.424 2.572 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000573062459 518485798 /nfs/dbraw/zinc/48/57/98/518485798.db2.gz TZDGCIXURLDAIF-VHSSKADRSA-N 1 2 365.424 2.572 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2Cc2cccc(F)c2)nc1 ZINC000570317139 518547169 /nfs/dbraw/zinc/54/71/69/518547169.db2.gz ZDXAYHMKYYTDID-SFHVURJKSA-N 1 2 373.453 2.573 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)nc1 ZINC000570317139 518547173 /nfs/dbraw/zinc/54/71/73/518547173.db2.gz ZDXAYHMKYYTDID-SFHVURJKSA-N 1 2 373.453 2.573 20 30 FFEDLO CC[N@H+](CCCNS(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC000579165831 518549761 /nfs/dbraw/zinc/54/97/61/518549761.db2.gz BZMCFPCOFOBJFN-UHFFFAOYSA-N 1 2 361.442 2.892 20 30 FFEDLO CC[N@@H+](CCCNS(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC000579165831 518549771 /nfs/dbraw/zinc/54/97/71/518549771.db2.gz BZMCFPCOFOBJFN-UHFFFAOYSA-N 1 2 361.442 2.892 20 30 FFEDLO N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000587055941 518675104 /nfs/dbraw/zinc/67/51/04/518675104.db2.gz ALEFUZIVKIOCKX-INIZCTEOSA-N 1 2 362.389 2.672 20 30 FFEDLO CN(c1nc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1)C1CC1 ZINC000582337230 518702522 /nfs/dbraw/zinc/70/25/22/518702522.db2.gz FINQCRCCILBTJS-INIZCTEOSA-N 1 2 355.467 2.662 20 30 FFEDLO CN(c1nc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1)C1CC1 ZINC000582337230 518702525 /nfs/dbraw/zinc/70/25/25/518702525.db2.gz FINQCRCCILBTJS-INIZCTEOSA-N 1 2 355.467 2.662 20 30 FFEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000582352872 518710686 /nfs/dbraw/zinc/71/06/86/518710686.db2.gz CRTKDQQCNJGJEI-UHFFFAOYSA-N 1 2 366.377 2.690 20 30 FFEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000582352872 518710688 /nfs/dbraw/zinc/71/06/88/518710688.db2.gz CRTKDQQCNJGJEI-UHFFFAOYSA-N 1 2 366.377 2.690 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H]1C(=O)OC(C)(C)C ZINC000573608666 518749080 /nfs/dbraw/zinc/74/90/80/518749080.db2.gz AOQMLZPYJYWEOE-CJNGLKHVSA-N 1 2 355.442 2.543 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H]1C(=O)OC(C)(C)C ZINC000573608666 518749087 /nfs/dbraw/zinc/74/90/87/518749087.db2.gz AOQMLZPYJYWEOE-CJNGLKHVSA-N 1 2 355.442 2.543 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000582670020 518868177 /nfs/dbraw/zinc/86/81/77/518868177.db2.gz KQWBOKHOTNFXSS-INIZCTEOSA-N 1 2 350.394 2.662 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cc1 ZINC000574137188 519004311 /nfs/dbraw/zinc/00/43/11/519004311.db2.gz KIJSNVMODBTAGL-NRFANRHFSA-N 1 2 361.401 2.607 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cc1 ZINC000574137188 519004319 /nfs/dbraw/zinc/00/43/19/519004319.db2.gz KIJSNVMODBTAGL-NRFANRHFSA-N 1 2 361.401 2.607 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000589827842 519084910 /nfs/dbraw/zinc/08/49/10/519084910.db2.gz QFMBTDMGCHHGPQ-OAQYLSRUSA-N 1 2 367.449 2.604 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3ccc(F)c(Cl)c3)C2)nc1 ZINC000590003958 519124531 /nfs/dbraw/zinc/12/45/31/519124531.db2.gz LBKVQHOKLKTWGD-AWEZNQCLSA-N 1 2 374.803 2.838 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3ccc(F)c(Cl)c3)C2)nc1 ZINC000590003958 519124537 /nfs/dbraw/zinc/12/45/37/519124537.db2.gz LBKVQHOKLKTWGD-AWEZNQCLSA-N 1 2 374.803 2.838 20 30 FFEDLO C=CCCC1(C(=O)N2CCC[C@H](c3n[nH]cc3C[NH+]3CCOCC3)C2)CC1 ZINC000580342562 519126606 /nfs/dbraw/zinc/12/66/06/519126606.db2.gz BVMMFKDFHCPHTA-KRWDZBQOSA-N 1 2 372.513 2.694 20 30 FFEDLO CC(C)N(C(=O)C[NH+]1CCN(c2cnccc2C#N)CC1)c1ccccc1 ZINC000580392801 519148578 /nfs/dbraw/zinc/14/85/78/519148578.db2.gz OMGIJDOOIAESNJ-UHFFFAOYSA-N 1 2 363.465 2.517 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000577826103 519273921 /nfs/dbraw/zinc/27/39/21/519273921.db2.gz NUZDRCMWRNJSQQ-PMACEKPBSA-N 1 2 355.482 2.895 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000577826103 519273929 /nfs/dbraw/zinc/27/39/29/519273929.db2.gz NUZDRCMWRNJSQQ-PMACEKPBSA-N 1 2 355.482 2.895 20 30 FFEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000590592318 519278119 /nfs/dbraw/zinc/27/81/19/519278119.db2.gz QFMWRJYERJFXSZ-UHFFFAOYSA-N 1 2 362.473 2.927 20 30 FFEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000590592318 519278124 /nfs/dbraw/zinc/27/81/24/519278124.db2.gz QFMWRJYERJFXSZ-UHFFFAOYSA-N 1 2 362.473 2.927 20 30 FFEDLO N#Cc1cc2c(nc1NCc1ccc(N3CCCCCC3)[nH+]c1)CCOC2 ZINC000590685755 519316617 /nfs/dbraw/zinc/31/66/17/519316617.db2.gz LKCUQBDDXMDSNB-UHFFFAOYSA-N 1 2 363.465 2.835 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)c(F)c1 ZINC000566290816 519415126 /nfs/dbraw/zinc/41/51/26/519415126.db2.gz AUONTZANCCVOJB-HNNXBMFYSA-N 1 2 368.412 2.526 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CSCc1cc(-c2cccs2)on1 ZINC000566309013 519426354 /nfs/dbraw/zinc/42/63/54/519426354.db2.gz MERPOUQZRRHMJX-INIZCTEOSA-N 1 2 364.496 2.596 20 30 FFEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2cc(C)c(C#N)cn2)CC1 ZINC000590903610 519427962 /nfs/dbraw/zinc/42/79/62/519427962.db2.gz IKQMYMKVJTWZNA-UHFFFAOYSA-N 1 2 364.449 2.537 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2cc(Br)ccc2o1 ZINC000569247919 519452802 /nfs/dbraw/zinc/45/28/02/519452802.db2.gz FCUIFCXOKSXDSL-HNNXBMFYSA-N 1 2 350.216 2.769 20 30 FFEDLO N#CCCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000572123574 519455975 /nfs/dbraw/zinc/45/59/75/519455975.db2.gz QUAUFAMLTDMONR-UHFFFAOYSA-N 1 2 353.382 2.936 20 30 FFEDLO C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000575049878 519472521 /nfs/dbraw/zinc/47/25/21/519472521.db2.gz SCXYYBRCBGZPDE-NHYWBVRUSA-N 1 2 370.316 2.890 20 30 FFEDLO N#Cc1cccc(NC(=O)CC[NH2+]C2(c3noc(C(F)F)n3)CCC2)c1 ZINC000591037755 519487154 /nfs/dbraw/zinc/48/71/54/519487154.db2.gz ZCYZYSCRSGINPZ-UHFFFAOYSA-N 1 2 361.352 2.876 20 30 FFEDLO CCOc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)ccc1[N+](=O)[O-] ZINC000584029997 519555345 /nfs/dbraw/zinc/55/53/45/519555345.db2.gz IFWFLJPSUMEBBB-UHFFFAOYSA-N 1 2 367.409 2.582 20 30 FFEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NS(=O)(=O)c2ccc(C#N)o2)c(C)c1 ZINC000572349772 519569917 /nfs/dbraw/zinc/56/99/17/519569917.db2.gz BUQHCVGAMYBSGG-KRWDZBQOSA-N 1 2 370.434 2.684 20 30 FFEDLO COc1cc(OC)cc([C@@H](NCc2nc(C#N)cs2)c2[nH+]ccn2C)c1 ZINC000569513896 519587847 /nfs/dbraw/zinc/58/78/47/519587847.db2.gz PZZGMVARFVYDKF-QGZVFWFLSA-N 1 2 369.450 2.645 20 30 FFEDLO C[C@@H]1C[NH+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C[C@@H](C)N1CC#N ZINC000602852605 519925553 /nfs/dbraw/zinc/92/55/53/519925553.db2.gz DDWMGSVNHWYOJR-PBFPGSCMSA-N 1 2 364.852 2.503 20 30 FFEDLO C[C@H]1C[NH+](CCOc2ccccc2Br)C[C@H](C)N1CC#N ZINC000602856016 519929314 /nfs/dbraw/zinc/92/93/14/519929314.db2.gz XVSNHJKKBRZKIR-KBPBESRZSA-N 1 2 352.276 2.746 20 30 FFEDLO C[C@H](NC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000602857480 519929885 /nfs/dbraw/zinc/92/98/85/519929885.db2.gz RRGOUZHLNZZJGG-KURKYZTESA-N 1 2 368.525 2.661 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602858410 519931032 /nfs/dbraw/zinc/93/10/32/519931032.db2.gz AVTKSCWKRYIVSH-ZACQAIPSSA-N 1 2 360.527 2.569 20 30 FFEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@@H](C)CC#N)c1C#N ZINC000602870327 519940140 /nfs/dbraw/zinc/94/01/40/519940140.db2.gz SLWKMGZRPYIMLN-LBPRGKRZSA-N 1 2 353.401 2.935 20 30 FFEDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)C(C)(C)CO ZINC000602881870 519945388 /nfs/dbraw/zinc/94/53/88/519945388.db2.gz LGBIQILRQNGFJQ-HNNXBMFYSA-N 1 2 364.396 2.743 20 30 FFEDLO C[C@@H](C(=O)NCC(F)(F)F)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602894400 519956650 /nfs/dbraw/zinc/95/66/50/519956650.db2.gz BHHABTJDYBUKHN-LBPRGKRZSA-N 1 2 354.376 2.502 20 30 FFEDLO N#Cc1ccccc1NC1CC[NH+]([C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000602895471 519958126 /nfs/dbraw/zinc/95/81/26/519958126.db2.gz OKZUZLBDYGGHKM-INIZCTEOSA-N 1 2 366.387 2.598 20 30 FFEDLO N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000594446736 519970794 /nfs/dbraw/zinc/97/07/94/519970794.db2.gz SASIOTLNVTWRPB-DLBZAZTESA-N 1 2 372.517 2.970 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c(Br)c1 ZINC000602987934 520009427 /nfs/dbraw/zinc/00/94/27/520009427.db2.gz WGXQWSNZGGTVBP-NWDGAFQWSA-N 1 2 363.177 2.923 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c(Br)c1 ZINC000602987934 520009433 /nfs/dbraw/zinc/00/94/33/520009433.db2.gz WGXQWSNZGGTVBP-NWDGAFQWSA-N 1 2 363.177 2.923 20 30 FFEDLO Cc1cc(NCCNC(=O)[C@@H](C#N)CCc2ccccc2)nc(C(C)C)[nH+]1 ZINC000600367356 520225835 /nfs/dbraw/zinc/22/58/35/520225835.db2.gz STUYOPDDCAVKHR-GOSISDBHSA-N 1 2 365.481 2.631 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149555 520226493 /nfs/dbraw/zinc/22/64/93/520226493.db2.gz QXSAUCSXOBPXDJ-VGSWGCGISA-N 1 2 363.461 2.955 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149555 520226500 /nfs/dbraw/zinc/22/65/00/520226500.db2.gz QXSAUCSXOBPXDJ-VGSWGCGISA-N 1 2 363.461 2.955 20 30 FFEDLO CC(C)(C)OC(=O)C1(C)CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000592156163 520232994 /nfs/dbraw/zinc/23/29/94/520232994.db2.gz IDAWBHVJVFWGQQ-UHFFFAOYSA-N 1 2 363.502 2.773 20 30 FFEDLO N#Cc1cc(NCc2ccc[nH+]c2N2CCCC2)ncc1Br ZINC000603406351 520251574 /nfs/dbraw/zinc/25/15/74/520251574.db2.gz SPXCBRUTSYBJJP-UHFFFAOYSA-N 1 2 358.243 2.745 20 30 FFEDLO Cc1cccc2[nH+]c(CNC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)cn21 ZINC000609462558 520320291 /nfs/dbraw/zinc/32/02/91/520320291.db2.gz FVPJNQFTXWHZMD-IBGZPJMESA-N 1 2 359.433 2.800 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000603629592 520333642 /nfs/dbraw/zinc/33/36/42/520333642.db2.gz ZBPKUBZHPDEXNW-ZACQAIPSSA-N 1 2 372.488 2.712 20 30 FFEDLO N#CCCN(C(=O)CCC(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000609623152 520382553 /nfs/dbraw/zinc/38/25/53/520382553.db2.gz PYVJVZYFHDXAMJ-UHFFFAOYSA-N 1 2 361.405 3.000 20 30 FFEDLO COc1ccc(Br)c(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000609676495 520405098 /nfs/dbraw/zinc/40/50/98/520405098.db2.gz IGAGHMKAQIUSBS-INIZCTEOSA-N 1 2 374.238 2.646 20 30 FFEDLO N#CCCN(CCSc1cccc(Cl)c1)CC[NH+]1CCOCC1 ZINC000595333866 520412682 /nfs/dbraw/zinc/41/26/82/520412682.db2.gz PJQUDLDBKFAKAX-UHFFFAOYSA-N 1 2 353.919 2.980 20 30 FFEDLO N#CCC[N@@H+](CCSc1cccc(Cl)c1)CCN1CCOCC1 ZINC000595333866 520412688 /nfs/dbraw/zinc/41/26/88/520412688.db2.gz PJQUDLDBKFAKAX-UHFFFAOYSA-N 1 2 353.919 2.980 20 30 FFEDLO N#CCC[N@H+](CCSc1cccc(Cl)c1)CCN1CCOCC1 ZINC000595333866 520412696 /nfs/dbraw/zinc/41/26/96/520412696.db2.gz PJQUDLDBKFAKAX-UHFFFAOYSA-N 1 2 353.919 2.980 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000592522109 520437617 /nfs/dbraw/zinc/43/76/17/520437617.db2.gz HUPRPEVIKXOCDA-WMZOPIPTSA-N 1 2 350.846 2.748 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000592522109 520437627 /nfs/dbraw/zinc/43/76/27/520437627.db2.gz HUPRPEVIKXOCDA-WMZOPIPTSA-N 1 2 350.846 2.748 20 30 FFEDLO C=CCCSCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000595438652 520469979 /nfs/dbraw/zinc/46/99/79/520469979.db2.gz VJWIHXPWCVISIF-GOSISDBHSA-N 1 2 363.527 2.668 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000600829128 520492724 /nfs/dbraw/zinc/49/27/24/520492724.db2.gz GCXPDKKMBVGZQW-FXAWDEMLSA-N 1 2 372.488 2.821 20 30 FFEDLO N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000610026584 520511782 /nfs/dbraw/zinc/51/17/82/520511782.db2.gz OBRGLEYJIYDDGM-UHFFFAOYSA-N 1 2 360.421 2.950 20 30 FFEDLO Cc1sc(NC(=O)C[NH2+]C(C)(C)c2nc(C)cc(=O)[nH]2)c(C#N)c1C ZINC000595525446 520528845 /nfs/dbraw/zinc/52/88/45/520528845.db2.gz GLSGEYBVUNKTFT-UHFFFAOYSA-N 1 2 359.455 2.504 20 30 FFEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000610132273 520552525 /nfs/dbraw/zinc/55/25/25/520552525.db2.gz MNYTUJAKJVAYGV-UHFFFAOYSA-N 1 2 359.470 2.526 20 30 FFEDLO C[C@@]1(C#N)CCN(C(=O)C2CCN(c3ccc4cccc(O)c4[nH+]3)CC2)C1 ZINC000598416903 520605117 /nfs/dbraw/zinc/60/51/17/520605117.db2.gz FGEORSWADQTXCN-NRFANRHFSA-N 1 2 364.449 2.919 20 30 FFEDLO CCc1oc(C(=O)OC)cc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595630587 520607954 /nfs/dbraw/zinc/60/79/54/520607954.db2.gz FURSIWZHZTZMLX-UHFFFAOYSA-N 1 2 359.451 2.884 20 30 FFEDLO N#Cc1sccc1N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000595632720 520609084 /nfs/dbraw/zinc/60/90/84/520609084.db2.gz PXCMRMFIPTVECF-UHFFFAOYSA-N 1 2 358.423 2.729 20 30 FFEDLO N#CC[C@@]1(O)CCN(C(=O)Cn2c3ccccc3[nH+]c2C2CCCCC2)C1 ZINC000592846397 520614621 /nfs/dbraw/zinc/61/46/21/520614621.db2.gz DGYIEZGTQRAIAO-OAQYLSRUSA-N 1 2 366.465 2.961 20 30 FFEDLO Cc1cccn2cc(CCNC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)[nH+]c12 ZINC000610434909 520681766 /nfs/dbraw/zinc/68/17/66/520681766.db2.gz PVSYAJSJXBZRCP-HXUWFJFHSA-N 1 2 373.460 2.842 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000593050357 520710007 /nfs/dbraw/zinc/71/00/07/520710007.db2.gz ICLINKFSYJRNRU-UHFFFAOYSA-N 1 2 362.433 2.961 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000593050357 520710012 /nfs/dbraw/zinc/71/00/12/520710012.db2.gz ICLINKFSYJRNRU-UHFFFAOYSA-N 1 2 362.433 2.961 20 30 FFEDLO C[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccncc1 ZINC000610530363 520728351 /nfs/dbraw/zinc/72/83/51/520728351.db2.gz IHECQKJCUJRUHX-QGZVFWFLSA-N 1 2 363.465 2.584 20 30 FFEDLO N#CC1(c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)CC2(CC2)C1 ZINC000601361446 520754603 /nfs/dbraw/zinc/75/46/03/520754603.db2.gz KGWPNXPNCFNLOW-INIZCTEOSA-N 1 2 350.422 2.978 20 30 FFEDLO N#CC1(c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)CC2(CC2)C1 ZINC000601361446 520754611 /nfs/dbraw/zinc/75/46/11/520754611.db2.gz KGWPNXPNCFNLOW-INIZCTEOSA-N 1 2 350.422 2.978 20 30 FFEDLO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CC[C@](C)(C#N)C2)cc1OC ZINC000595842176 520759738 /nfs/dbraw/zinc/75/97/38/520759738.db2.gz YJBZEFJFDLWMGR-OXQOHEQNSA-N 1 2 357.454 2.603 20 30 FFEDLO COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CC[C@](C)(C#N)C2)cc1OC ZINC000595842176 520759745 /nfs/dbraw/zinc/75/97/45/520759745.db2.gz YJBZEFJFDLWMGR-OXQOHEQNSA-N 1 2 357.454 2.603 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593172060 520797705 /nfs/dbraw/zinc/79/77/05/520797705.db2.gz GCFRKGXSDLLYBG-UHFFFAOYSA-N 1 2 363.421 2.646 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000610843463 520867094 /nfs/dbraw/zinc/86/70/94/520867094.db2.gz ROIFPKDDDZARFY-OAHLLOKOSA-N 1 2 356.392 2.688 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc(OCc2ccccc2)cc1 ZINC000598836255 520868997 /nfs/dbraw/zinc/86/89/97/520868997.db2.gz DVJZZZSNXGGRMM-NRFANRHFSA-N 1 2 351.450 2.768 20 30 FFEDLO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000601622872 520870707 /nfs/dbraw/zinc/87/07/07/520870707.db2.gz XLAATPQYTXVOAR-UHFFFAOYSA-N 1 2 372.450 2.703 20 30 FFEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2c(C#N)cnn2C)CC1 ZINC000596063752 520888325 /nfs/dbraw/zinc/88/83/25/520888325.db2.gz SFNZGWWICQJXEO-CYBMUJFWSA-N 1 2 352.467 2.785 20 30 FFEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2cc(C#N)cnn2)CC1 ZINC000596064444 520888972 /nfs/dbraw/zinc/88/89/72/520888972.db2.gz WCIKVRUWYQPCJH-CYBMUJFWSA-N 1 2 350.451 2.841 20 30 FFEDLO CCO[C@@H](C)c1nc(CN2CC[NH+](Cc3ccnc(C#N)c3)CC2)cs1 ZINC000610993831 520935192 /nfs/dbraw/zinc/93/51/92/520935192.db2.gz KDOVTTUFKCBJJH-HNNXBMFYSA-N 1 2 371.510 2.825 20 30 FFEDLO C[C@@H](C(=O)N[C@@H](C#N)c1ccccc1Br)[NH+]1CCSCC1 ZINC000611012963 520946996 /nfs/dbraw/zinc/94/69/96/520946996.db2.gz QEFTYMMAXMWXEQ-FZMZJTMJSA-N 1 2 368.300 2.567 20 30 FFEDLO Cn1ncc(C#N)c1N[C@@H]1CCc2[nH+]c(-c3ccc(F)cc3F)cn2C1 ZINC000596257754 520997225 /nfs/dbraw/zinc/99/72/25/520997225.db2.gz KNZRBBVHAMMXPZ-CYBMUJFWSA-N 1 2 354.364 2.860 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)c1C#N ZINC000611126653 520998746 /nfs/dbraw/zinc/99/87/46/520998746.db2.gz GHHIWRAPWDMSBZ-UHFFFAOYSA-N 1 2 363.417 2.862 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCc3c(cccc3NC(C)=O)C2)c1C#N ZINC000611126653 520998750 /nfs/dbraw/zinc/99/87/50/520998750.db2.gz GHHIWRAPWDMSBZ-UHFFFAOYSA-N 1 2 363.417 2.862 20 30 FFEDLO N#CCCN1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)CC1 ZINC000611173648 521023212 /nfs/dbraw/zinc/02/32/12/521023212.db2.gz FHSYRJFGFCSNGU-QFIPXVFZSA-N 1 2 368.525 2.955 20 30 FFEDLO COc1c[nH+]c(N2CCC[C@@H](CC#N)C2)nc1N1CCC[C@H](CC#N)C1 ZINC000596330234 521030534 /nfs/dbraw/zinc/03/05/34/521030534.db2.gz RKJUBUFKNULLSM-CVEARBPZSA-N 1 2 354.458 2.745 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+]([C@@H]3CC(=O)N(c4cccc(O)c4)C3=O)CC2)cc1 ZINC000611245902 521055911 /nfs/dbraw/zinc/05/59/11/521055911.db2.gz YMCXNFNUUVBYJZ-HXUWFJFHSA-N 1 2 373.412 2.685 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+]([C@@H]3CC(=O)N(c4cccc(O)c4)C3=O)CC2)cc1 ZINC000611245902 521055920 /nfs/dbraw/zinc/05/59/20/521055920.db2.gz YMCXNFNUUVBYJZ-HXUWFJFHSA-N 1 2 373.412 2.685 20 30 FFEDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000593563141 521078773 /nfs/dbraw/zinc/07/87/73/521078773.db2.gz RWBPAJOFCXNJLE-QAPCUYQASA-N 1 2 372.494 2.956 20 30 FFEDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593574185 521084819 /nfs/dbraw/zinc/08/48/19/521084819.db2.gz MISSCWFLUAENLN-UHFFFAOYSA-N 1 2 360.483 2.819 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3coc(C(F)(F)F)n3)CC2)cc1 ZINC000602033991 521092041 /nfs/dbraw/zinc/09/20/41/521092041.db2.gz QQUYVOUDZBXCFD-UHFFFAOYSA-N 1 2 364.327 2.523 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N(CCC#N)Cc2ccco2)cc1 ZINC000602086754 521134288 /nfs/dbraw/zinc/13/42/88/521134288.db2.gz RLJFAKZDCHRJGD-LJQANCHMSA-N 1 2 353.422 2.805 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N(CCC#N)Cc2ccco2)cc1 ZINC000602086754 521134294 /nfs/dbraw/zinc/13/42/94/521134294.db2.gz RLJFAKZDCHRJGD-LJQANCHMSA-N 1 2 353.422 2.805 20 30 FFEDLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599304798 521140712 /nfs/dbraw/zinc/14/07/12/521140712.db2.gz PEVQDUMGZQJAKX-NSHDSACASA-N 1 2 363.405 2.665 20 30 FFEDLO C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599304798 521140722 /nfs/dbraw/zinc/14/07/22/521140722.db2.gz PEVQDUMGZQJAKX-NSHDSACASA-N 1 2 363.405 2.665 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)c(C#N)c1C ZINC000596598298 521156745 /nfs/dbraw/zinc/15/67/45/521156745.db2.gz KOYPINWFCCLJDI-UHFFFAOYSA-N 1 2 371.510 2.993 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2Cc3cnn(C)c3CC(C)(C)C2)c(C#N)c1C ZINC000596598298 521156749 /nfs/dbraw/zinc/15/67/49/521156749.db2.gz KOYPINWFCCLJDI-UHFFFAOYSA-N 1 2 371.510 2.993 20 30 FFEDLO Cc1cc([C@H]2C[N@H+](C[C@H](O)CC3(C#N)CCOCC3)CCO2)ccc1F ZINC000599338655 521161432 /nfs/dbraw/zinc/16/14/32/521161432.db2.gz DPLRPQVHVLQMTB-IEBWSBKVSA-N 1 2 362.445 2.579 20 30 FFEDLO Cc1cc([C@H]2C[N@@H+](C[C@H](O)CC3(C#N)CCOCC3)CCO2)ccc1F ZINC000599338655 521161437 /nfs/dbraw/zinc/16/14/37/521161437.db2.gz DPLRPQVHVLQMTB-IEBWSBKVSA-N 1 2 362.445 2.579 20 30 FFEDLO N#CCCN1CC[NH+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000611500979 521191475 /nfs/dbraw/zinc/19/14/75/521191475.db2.gz DTKGLCAPXKSCRS-INIZCTEOSA-N 1 2 367.280 2.630 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000599421790 521211842 /nfs/dbraw/zinc/21/18/42/521211842.db2.gz JOGXPFKZSULRIQ-CYBMUJFWSA-N 1 2 355.467 2.658 20 30 FFEDLO Cc1cc(NC(=O)NC2CCN(CC#N)CC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000611558972 521219069 /nfs/dbraw/zinc/21/90/69/521219069.db2.gz MIXUFAKKDZUEKF-INIZCTEOSA-N 1 2 370.501 2.878 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)Nc3ccc4[nH+]ccn4c3)C2=O)cc1 ZINC000611557266 521219517 /nfs/dbraw/zinc/21/95/17/521219517.db2.gz LCWYFRRPTVRKIZ-KRWDZBQOSA-N 1 2 374.404 2.523 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596733841 521252412 /nfs/dbraw/zinc/25/24/12/521252412.db2.gz LDDNWLFPINSTKY-HOTGVXAUSA-N 1 2 374.510 2.877 20 30 FFEDLO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3[nH]nc4c3CCCC4)CC2)c1 ZINC000593881764 521269942 /nfs/dbraw/zinc/26/99/42/521269942.db2.gz AFSKZVNJSBBPQA-UHFFFAOYSA-N 1 2 363.465 2.555 20 30 FFEDLO COc1ccc(-c2cncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2)c(C)c1 ZINC000602336670 521287758 /nfs/dbraw/zinc/28/77/58/521287758.db2.gz ZIXKLXOWVDUQRD-HXUWFJFHSA-N 1 2 352.438 2.639 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCC2(C#N)CCCCC2)CC1 ZINC000596867519 521341576 /nfs/dbraw/zinc/34/15/76/521341576.db2.gz WARXKFJMRPOILU-KRWDZBQOSA-N 1 2 355.486 2.944 20 30 FFEDLO N#Cc1ccc(C[N@@H+](Cc2ccc(S(N)(=O)=O)cc2F)C2CC2)cc1 ZINC000602440112 521347125 /nfs/dbraw/zinc/34/71/25/521347125.db2.gz JGYNFOSWTBELRH-UHFFFAOYSA-N 1 2 359.426 2.509 20 30 FFEDLO N#Cc1ccc(C[N@H+](Cc2ccc(S(N)(=O)=O)cc2F)C2CC2)cc1 ZINC000602440112 521347130 /nfs/dbraw/zinc/34/71/30/521347130.db2.gz JGYNFOSWTBELRH-UHFFFAOYSA-N 1 2 359.426 2.509 20 30 FFEDLO COC(=O)c1csc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000602446176 521351285 /nfs/dbraw/zinc/35/12/85/521351285.db2.gz XAEHRDPPCAVNGA-UHFFFAOYSA-N 1 2 372.450 2.594 20 30 FFEDLO C[C@]1(C#N)CCCN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000612135572 521500732 /nfs/dbraw/zinc/50/07/32/521500732.db2.gz YPMUZRZTZAWGHY-HXUWFJFHSA-N 1 2 351.454 2.961 20 30 FFEDLO N#CCCCNC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000612167298 521516041 /nfs/dbraw/zinc/51/60/41/521516041.db2.gz KUTCSECQFCMOFD-UHFFFAOYSA-N 1 2 354.376 2.836 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1Br ZINC000615763791 521524290 /nfs/dbraw/zinc/52/42/90/521524290.db2.gz UHLCEHZZYWGJJX-SMDDNHRTSA-N 1 2 359.227 2.589 20 30 FFEDLO N#CC1(CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CCOCC1 ZINC000597169996 521552582 /nfs/dbraw/zinc/55/25/82/521552582.db2.gz NSCXKVJUKRPUDF-UHFFFAOYSA-N 1 2 356.470 2.789 20 30 FFEDLO C[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@@H](C)N1CC#N ZINC000602828712 521557031 /nfs/dbraw/zinc/55/70/31/521557031.db2.gz GCQAOSURTZRLMK-HUUCEWRRSA-N 1 2 352.442 2.537 20 30 FFEDLO CS(=O)(=O)[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C(F)(F)F ZINC000597181644 521561239 /nfs/dbraw/zinc/56/12/39/521561239.db2.gz JKOKMFSQXVRLPI-HUUCEWRRSA-N 1 2 372.412 2.649 20 30 FFEDLO CS(=O)(=O)[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C(F)(F)F ZINC000597181644 521561246 /nfs/dbraw/zinc/56/12/46/521561246.db2.gz JKOKMFSQXVRLPI-HUUCEWRRSA-N 1 2 372.412 2.649 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1Br ZINC000597228077 521585232 /nfs/dbraw/zinc/58/52/32/521585232.db2.gz CLYOAKFUVXLJEN-ZUZCIYMTSA-N 1 2 359.227 2.658 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1Br ZINC000597228077 521585234 /nfs/dbraw/zinc/58/52/34/521585234.db2.gz CLYOAKFUVXLJEN-ZUZCIYMTSA-N 1 2 359.227 2.658 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1F ZINC000612359217 521591885 /nfs/dbraw/zinc/59/18/85/521591885.db2.gz HGIVZNXZKSESHQ-VQIMIIECSA-N 1 2 355.417 2.984 20 30 FFEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1Cl ZINC000619769431 521862592 /nfs/dbraw/zinc/86/25/92/521862592.db2.gz XUNYRNIZLFIZHW-UHFFFAOYSA-N 1 2 369.856 2.634 20 30 FFEDLO C=CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000629436095 522218319 /nfs/dbraw/zinc/21/83/19/522218319.db2.gz QYFCTQPCWHMDHY-RTWAWAEBSA-N 1 2 365.477 2.759 20 30 FFEDLO C=CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000629436095 522218330 /nfs/dbraw/zinc/21/83/30/522218330.db2.gz QYFCTQPCWHMDHY-RTWAWAEBSA-N 1 2 365.477 2.759 20 30 FFEDLO C=C(C)COCCNC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000623769366 522269933 /nfs/dbraw/zinc/26/99/33/522269933.db2.gz VOXPMYRXSGITEL-UHFFFAOYSA-N 1 2 356.470 2.588 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+](CC)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000628119963 523354466 /nfs/dbraw/zinc/35/44/66/523354466.db2.gz RJIJPIRDCLLUMN-AWEZNQCLSA-N 1 2 373.902 2.922 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+](CC)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000628119963 523354478 /nfs/dbraw/zinc/35/44/78/523354478.db2.gz RJIJPIRDCLLUMN-AWEZNQCLSA-N 1 2 373.902 2.922 20 30 FFEDLO C=C(C)Cn1c([C@@H](C)CC)n[n-]c1=[NH+]c1cnn(C2CC[NH+](C)CC2)c1 ZINC000634373006 523378793 /nfs/dbraw/zinc/37/87/93/523378793.db2.gz JWHXENVDAJHMNA-HNNXBMFYSA-N 1 2 357.506 2.996 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)cc1OC ZINC000628241660 523433209 /nfs/dbraw/zinc/43/32/09/523433209.db2.gz DFVUAWLRPZMYQL-DOMZBBRYSA-N 1 2 352.862 2.999 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)cc1OC ZINC000628241660 523433218 /nfs/dbraw/zinc/43/32/18/523433218.db2.gz DFVUAWLRPZMYQL-DOMZBBRYSA-N 1 2 352.862 2.999 20 30 FFEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1CC#Cc1ccc(Cl)cc1 ZINC000625496397 523481450 /nfs/dbraw/zinc/48/14/50/523481450.db2.gz PIJJJOOYRSHJTA-IBGZPJMESA-N 1 2 351.841 2.796 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[NH+](Cc3cc(OC)c(OC)c(OC)c3)CC2)C1 ZINC000631638915 523729216 /nfs/dbraw/zinc/72/92/16/523729216.db2.gz HMELTLUMRBDPIV-UHFFFAOYSA-N 1 2 374.481 2.713 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2ccc(C(F)(F)F)c(F)c2)c1C#N ZINC000527134568 562277552 /nfs/dbraw/zinc/27/75/52/562277552.db2.gz TVSQIZKZYVJQTD-UHFFFAOYSA-N 1 2 369.322 2.844 20 30 FFEDLO C[C@H]1CN(c2ccc(Nc3nccc(C#N)c3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000471617520 561009007 /nfs/dbraw/zinc/00/90/07/561009007.db2.gz GLKKTZYZPIQWTM-RYUDHWBXSA-N 1 2 354.370 2.614 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)c1C#N ZINC000530261643 562404546 /nfs/dbraw/zinc/40/45/46/562404546.db2.gz OJNSTPSYXOPFBF-JCURWCKSSA-N 1 2 369.856 2.611 20 30 FFEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)c1ccc(C#N)cc1 ZINC000824634263 608459513 /nfs/dbraw/zinc/45/95/13/608459513.db2.gz UUDMXINNVYNXJP-GFCCVEGCSA-N 1 2 372.392 2.639 20 30 FFEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824634696 608461373 /nfs/dbraw/zinc/46/13/73/608461373.db2.gz XHLDWWSBUWIHQL-LBPRGKRZSA-N 1 2 372.392 2.639 20 30 FFEDLO N#CCOc1ccc(CC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000110607008 728532673 /nfs/dbraw/zinc/53/26/73/728532673.db2.gz CZCUIOXXXKUXBH-UHFFFAOYSA-N 1 2 355.463 2.537 20 30 FFEDLO C[N@H+](CCCOc1ccc(C#N)cc1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000131538512 728722464 /nfs/dbraw/zinc/72/24/64/728722464.db2.gz UNRLHAHAUPEGQQ-UHFFFAOYSA-N 1 2 354.435 2.757 20 30 FFEDLO C[N@@H+](CCCOc1ccc(C#N)cc1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000131538512 728722465 /nfs/dbraw/zinc/72/24/65/728722465.db2.gz UNRLHAHAUPEGQQ-UHFFFAOYSA-N 1 2 354.435 2.757 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000133343736 728726701 /nfs/dbraw/zinc/72/67/01/728726701.db2.gz RYBSOHBBDTVUEI-INIZCTEOSA-N 1 2 352.837 2.600 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000133343736 728726702 /nfs/dbraw/zinc/72/67/02/728726702.db2.gz RYBSOHBBDTVUEI-INIZCTEOSA-N 1 2 352.837 2.600 20 30 FFEDLO CN(Cc1cc[nH]n1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328848637 729795531 /nfs/dbraw/zinc/79/55/31/729795531.db2.gz RCULUNAOMWBMRG-CVEARBPZSA-N 1 2 365.840 2.993 20 30 FFEDLO CN(Cc1cc[nH]n1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328848637 729795533 /nfs/dbraw/zinc/79/55/33/729795533.db2.gz RCULUNAOMWBMRG-CVEARBPZSA-N 1 2 365.840 2.993 20 30 FFEDLO C#CC[C@@H](CCOC)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000860306392 730500282 /nfs/dbraw/zinc/50/02/82/730500282.db2.gz BHKVENXJWLJPCT-CABCVRRESA-N 1 2 364.515 2.925 20 30 FFEDLO C#CC[C@@H](CCOC)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000860306392 730500285 /nfs/dbraw/zinc/50/02/85/730500285.db2.gz BHKVENXJWLJPCT-CABCVRRESA-N 1 2 364.515 2.925 20 30 FFEDLO Nc1nc(Cl)c(C=[NH+]Nc2ccc3n[nH]cc3c2)c(N2CCCC2)n1 ZINC000779812612 738486363 /nfs/dbraw/zinc/48/63/63/738486363.db2.gz UMWJTBTVEWYQJV-UHFFFAOYSA-N 1 2 356.821 2.635 20 30 FFEDLO N#C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1cccc(Cl)c1Cl ZINC000865620774 730977685 /nfs/dbraw/zinc/97/76/85/730977685.db2.gz CURHGOOQLJICCG-JBQRSBCVSA-N 1 2 354.237 2.563 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)[C@]2(C#N)CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000866973132 731126802 /nfs/dbraw/zinc/12/68/02/731126802.db2.gz ZPSSJJILCLUIJE-BQFCYCMXSA-N 1 2 365.836 2.661 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)[C@]2(C#N)CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000866973132 731126803 /nfs/dbraw/zinc/12/68/03/731126803.db2.gz ZPSSJJILCLUIJE-BQFCYCMXSA-N 1 2 365.836 2.661 20 30 FFEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)nn1 ZINC000657445147 731780269 /nfs/dbraw/zinc/78/02/69/731780269.db2.gz ADFGWIAPMPXRFM-UHFFFAOYSA-N 1 2 357.849 2.687 20 30 FFEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CCCCCCNC(=O)CC2)c1=S ZINC000872663389 731810363 /nfs/dbraw/zinc/81/03/63/731810363.db2.gz KBKUWRGEWPHYQK-UHFFFAOYSA-N 1 2 363.531 2.817 20 30 FFEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CCCCCCNC(=O)CC2)c1=S ZINC000872663389 731810364 /nfs/dbraw/zinc/81/03/64/731810364.db2.gz KBKUWRGEWPHYQK-UHFFFAOYSA-N 1 2 363.531 2.817 20 30 FFEDLO N#Cc1ccc([C@H](O)C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000780905663 738587249 /nfs/dbraw/zinc/58/72/49/738587249.db2.gz WUBSGQSADOLUSJ-INIZCTEOSA-N 1 2 356.451 2.673 20 30 FFEDLO COc1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1C#N ZINC000880873944 732980993 /nfs/dbraw/zinc/98/09/93/732980993.db2.gz QCWWUWUFGSYBDI-UHFFFAOYSA-N 1 2 356.451 2.978 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000884145456 733486467 /nfs/dbraw/zinc/48/64/67/733486467.db2.gz KYGKJFSISRKVQB-JKSUJKDBSA-N 1 2 358.463 2.595 20 30 FFEDLO COC(=O)c1ccc(CO[NH+]=C(N)c2ccc(Br)cc2)o1 ZINC000782948591 738767228 /nfs/dbraw/zinc/76/72/28/738767228.db2.gz MAYWNHQWPJHVSH-UHFFFAOYSA-N 1 2 353.172 2.666 20 30 FFEDLO NC(=[NH+]OCC(=O)N1CCc2ccccc21)c1ccc(Br)cc1 ZINC000782949090 738767235 /nfs/dbraw/zinc/76/72/35/738767235.db2.gz PPQFUPPAROJBJW-UHFFFAOYSA-N 1 2 374.238 2.675 20 30 FFEDLO Cc1ccc2[nH+]c(CSCC(=O)NCc3nc(C#N)cs3)cn2c1 ZINC000887984503 734000940 /nfs/dbraw/zinc/00/09/40/734000940.db2.gz VXGKLCAWTPYKFJ-UHFFFAOYSA-N 1 2 357.464 2.521 20 30 FFEDLO C[NH+](C)Cc1csc(CNC(=O)C#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000927766921 738780128 /nfs/dbraw/zinc/78/01/28/738780128.db2.gz NIPCXQNKBTZXGG-UHFFFAOYSA-N 1 2 367.396 2.891 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000730273910 734624381 /nfs/dbraw/zinc/62/43/81/734624381.db2.gz DGQQHVKHXPRENZ-INIZCTEOSA-N 1 2 354.479 2.933 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000730273910 734624383 /nfs/dbraw/zinc/62/43/83/734624383.db2.gz DGQQHVKHXPRENZ-INIZCTEOSA-N 1 2 354.479 2.933 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000734835754 734916942 /nfs/dbraw/zinc/91/69/42/734916942.db2.gz KPXHRUXGDQOOQH-MRXNPFEDSA-N 1 2 364.921 2.666 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3C[C@H]4CC[C@@H](C3)S4)CC2)cc1 ZINC000895407345 735001390 /nfs/dbraw/zinc/00/13/90/735001390.db2.gz AQDVVAVNTASSHF-YQQQUEKLSA-N 1 2 355.507 2.877 20 30 FFEDLO N#Cc1csc(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000897282708 735214983 /nfs/dbraw/zinc/21/49/83/735214983.db2.gz SFSZMPCNNJSUCQ-UHFFFAOYSA-N 1 2 358.471 2.613 20 30 FFEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)c2cccc(Cl)c2C#N)c1C ZINC000751057694 735842863 /nfs/dbraw/zinc/84/28/63/735842863.db2.gz FOGAGSZRPAWIFU-UHFFFAOYSA-N 1 2 365.842 2.711 20 30 FFEDLO N#CCn1c(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)nc2ccccc2c1=O ZINC000752358782 735979803 /nfs/dbraw/zinc/97/98/03/735979803.db2.gz IGHMCXVWRTVUBD-DLBZAZTESA-N 1 2 354.479 2.780 20 30 FFEDLO N#CCn1c(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)nc2ccccc2c1=O ZINC000752358782 735979806 /nfs/dbraw/zinc/97/98/06/735979806.db2.gz IGHMCXVWRTVUBD-DLBZAZTESA-N 1 2 354.479 2.780 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(C(C)(C)c2ccc(Cl)cc2F)no1 ZINC000904111613 736222476 /nfs/dbraw/zinc/22/24/76/736222476.db2.gz HRVZXNRUWIMKHN-ZDUSSCGKSA-N 1 2 367.808 2.787 20 30 FFEDLO C[C@@](O)(C[NH2+]Cc1nccc(C(F)(F)F)n1)C(F)(F)C(F)(F)F ZINC000905286730 736322464 /nfs/dbraw/zinc/32/24/64/736322464.db2.gz RIGNKBWWHKCYSQ-MRVPVSSYSA-N 1 2 353.213 2.534 20 30 FFEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](CC)C[C@H]2CCOC2)c1=S ZINC000765012704 737071893 /nfs/dbraw/zinc/07/18/93/737071893.db2.gz XOUMQNWWYDUEKU-OAHLLOKOSA-N 1 2 359.499 2.978 20 30 FFEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](CC)C[C@H]2CCOC2)c1=S ZINC000765012704 737071897 /nfs/dbraw/zinc/07/18/97/737071897.db2.gz XOUMQNWWYDUEKU-OAHLLOKOSA-N 1 2 359.499 2.978 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)cc(I)c1 ZINC000804648071 740892164 /nfs/dbraw/zinc/89/21/64/740892164.db2.gz MIXLOPNSEHDYCL-AWEZNQCLSA-N 1 2 368.218 2.636 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)cc(I)c1 ZINC000804648071 740892167 /nfs/dbraw/zinc/89/21/67/740892167.db2.gz MIXLOPNSEHDYCL-AWEZNQCLSA-N 1 2 368.218 2.636 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](C[C@H](O)c3ccc(F)cc3Cl)CC2)n1 ZINC000775669769 738111168 /nfs/dbraw/zinc/11/11/68/738111168.db2.gz AAVLCZPBRUKZOY-KRWDZBQOSA-N 1 2 360.820 2.601 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1csc(-c2cccc(C(=O)OC)c2)n1)[C@H]1CCCO1 ZINC000775789907 738125063 /nfs/dbraw/zinc/12/50/63/738125063.db2.gz DUMSSKRKBCUINC-IAGOWNOFSA-N 1 2 356.447 2.867 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2sc(-c3c(C)noc3C)nc2C)C1 ZINC000923557346 738300962 /nfs/dbraw/zinc/30/09/62/738300962.db2.gz MBXYUMGLBHGERS-CQSZACIVSA-N 1 2 358.467 2.551 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sc(-c3c(C)noc3C)nc2C)C1 ZINC000923557346 738300964 /nfs/dbraw/zinc/30/09/64/738300964.db2.gz MBXYUMGLBHGERS-CQSZACIVSA-N 1 2 358.467 2.551 20 30 FFEDLO C#CCNC(=O)C1CC[NH+](Cc2ccc(Cl)nc2C(F)(F)F)CC1 ZINC000787206488 739113485 /nfs/dbraw/zinc/11/34/85/739113485.db2.gz ZOVTZMAJTKDCPO-UHFFFAOYSA-N 1 2 359.779 2.715 20 30 FFEDLO N#CC[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)C(F)(F)F ZINC000932905688 739534610 /nfs/dbraw/zinc/53/46/10/739534610.db2.gz ZJLNEOJBCCGUDA-AWEZNQCLSA-N 1 2 351.332 2.575 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933775706 739688558 /nfs/dbraw/zinc/68/85/58/739688558.db2.gz LRXZHNKIEHHNNZ-LBPRGKRZSA-N 1 2 357.435 2.850 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933775706 739688559 /nfs/dbraw/zinc/68/85/59/739688559.db2.gz LRXZHNKIEHHNNZ-LBPRGKRZSA-N 1 2 357.435 2.850 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1ccc(C(=O)OC)cc1Br)[C@H]1CCCO1 ZINC000793591953 739797046 /nfs/dbraw/zinc/79/70/46/739797046.db2.gz STFSOZILUSQWIV-HUUCEWRRSA-N 1 2 352.228 2.506 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)C2(C#N)CCSCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000935156328 739903772 /nfs/dbraw/zinc/90/37/72/739903772.db2.gz KMDVJTUQVNHRMW-JKSUJKDBSA-N 1 2 365.449 2.863 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)C2(C#N)CCSCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000935156328 739903776 /nfs/dbraw/zinc/90/37/76/739903776.db2.gz KMDVJTUQVNHRMW-JKSUJKDBSA-N 1 2 365.449 2.863 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cscn2)CC1(C)C ZINC000940754051 740183295 /nfs/dbraw/zinc/18/32/95/740183295.db2.gz SETBLLSRDUZLDO-IKGGRYGDSA-N 1 2 363.527 2.841 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cscn2)CC1(C)C ZINC000940754051 740183300 /nfs/dbraw/zinc/18/33/00/740183300.db2.gz SETBLLSRDUZLDO-IKGGRYGDSA-N 1 2 363.527 2.841 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc(C)cs1 ZINC000960647563 740621397 /nfs/dbraw/zinc/62/13/97/740621397.db2.gz QEHXRAZJKDXSIQ-BBWFWOEESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc(C)cs1 ZINC000960647563 740621401 /nfs/dbraw/zinc/62/14/01/740621401.db2.gz QEHXRAZJKDXSIQ-BBWFWOEESA-N 1 2 363.527 2.856 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000801986620 740669735 /nfs/dbraw/zinc/66/97/35/740669735.db2.gz CEGASHFDSISKNR-ZBFHGGJFSA-N 1 2 351.397 2.944 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000801986620 740669737 /nfs/dbraw/zinc/66/97/37/740669737.db2.gz CEGASHFDSISKNR-ZBFHGGJFSA-N 1 2 351.397 2.944 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=C)C)CC1 ZINC000802550116 740708968 /nfs/dbraw/zinc/70/89/68/740708968.db2.gz MIYPQVVJGVEZNL-UHFFFAOYSA-N 1 2 355.873 2.930 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC000969685373 740736887 /nfs/dbraw/zinc/73/68/87/740736887.db2.gz VOSNSYYZIZUQCO-XYPHTWIQSA-N 1 2 363.889 2.653 20 30 FFEDLO C#CCCCS(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000805059484 740933277 /nfs/dbraw/zinc/93/32/77/740933277.db2.gz VFARNRONVKZVBU-ROUUACIJSA-N 1 2 370.465 2.821 20 30 FFEDLO C#CCCCS(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000805059484 740933281 /nfs/dbraw/zinc/93/32/81/740933281.db2.gz VFARNRONVKZVBU-ROUUACIJSA-N 1 2 370.465 2.821 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@@H]12 ZINC000978841433 741096683 /nfs/dbraw/zinc/09/66/83/741096683.db2.gz OBYURQUKLUUWNO-AOAULGPHSA-N 1 2 359.297 2.581 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@@H]12 ZINC000978841433 741096687 /nfs/dbraw/zinc/09/66/87/741096687.db2.gz OBYURQUKLUUWNO-AOAULGPHSA-N 1 2 359.297 2.581 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC001006124101 742278667 /nfs/dbraw/zinc/27/86/67/742278667.db2.gz RNEARIWFMFBCMN-ROUUACIJSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001014456487 742467071 /nfs/dbraw/zinc/46/70/71/742467071.db2.gz CSNCFKBHGIVFQV-NUJGCVRESA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001014456487 742467074 /nfs/dbraw/zinc/46/70/74/742467074.db2.gz CSNCFKBHGIVFQV-NUJGCVRESA-N 1 2 350.409 2.637 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2nc(C)c(C)s2)C1 ZINC001032040808 742857469 /nfs/dbraw/zinc/85/74/69/742857469.db2.gz VEEPPKNXKMWWBB-WMZOPIPTSA-N 1 2 363.527 2.679 20 30 FFEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1 ZINC000825068392 743204920 /nfs/dbraw/zinc/20/49/20/743204920.db2.gz OPMQCDHOCRMIFV-CJNGLKHVSA-N 1 2 351.397 2.713 20 30 FFEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1 ZINC000825068392 743204925 /nfs/dbraw/zinc/20/49/25/743204925.db2.gz OPMQCDHOCRMIFV-CJNGLKHVSA-N 1 2 351.397 2.713 20 30 FFEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC001045465786 743278700 /nfs/dbraw/zinc/27/87/00/743278700.db2.gz BKURFWQIHUGJMG-KGLIPLIRSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001046480899 743326089 /nfs/dbraw/zinc/32/60/89/743326089.db2.gz ZAIPTZWEXZGSTI-UXLLHSPISA-N 1 2 371.319 2.538 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001046480899 743326098 /nfs/dbraw/zinc/32/60/98/743326098.db2.gz ZAIPTZWEXZGSTI-UXLLHSPISA-N 1 2 371.319 2.538 20 30 FFEDLO C=CC[C@@H]1CCC[N@@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000826948492 743476398 /nfs/dbraw/zinc/47/63/98/743476398.db2.gz ZSGISJXVCFWJPQ-HUUCEWRRSA-N 1 2 371.934 2.993 20 30 FFEDLO C=CC[C@@H]1CCC[N@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000826948492 743476404 /nfs/dbraw/zinc/47/64/04/743476404.db2.gz ZSGISJXVCFWJPQ-HUUCEWRRSA-N 1 2 371.934 2.993 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1C/C=C/Cl ZINC001054053022 745002469 /nfs/dbraw/zinc/00/24/69/745002469.db2.gz KJNKYARIFJHXST-QKKJDTJZSA-N 1 2 360.885 2.873 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1C/C=C/Cl ZINC001054053022 745002475 /nfs/dbraw/zinc/00/24/75/745002475.db2.gz KJNKYARIFJHXST-QKKJDTJZSA-N 1 2 360.885 2.873 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000830130335 745312987 /nfs/dbraw/zinc/31/29/87/745312987.db2.gz UFYYYOUAEYIVRB-LBPRGKRZSA-N 1 2 364.243 2.595 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000830130335 745312993 /nfs/dbraw/zinc/31/29/93/745312993.db2.gz UFYYYOUAEYIVRB-LBPRGKRZSA-N 1 2 364.243 2.595 20 30 FFEDLO C#C[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000836242975 746173313 /nfs/dbraw/zinc/17/33/13/746173313.db2.gz ZKPMNZUGZLWNHG-DOMZBBRYSA-N 1 2 361.243 2.708 20 30 FFEDLO C=C(C)CONC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000845603356 748290745 /nfs/dbraw/zinc/29/07/45/748290745.db2.gz JFLALNQQDIHFPE-HZPDHXFCSA-N 1 2 353.850 2.519 20 30 FFEDLO C=C(C)CONC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000845603356 748290749 /nfs/dbraw/zinc/29/07/49/748290749.db2.gz JFLALNQQDIHFPE-HZPDHXFCSA-N 1 2 353.850 2.519 20 30 FFEDLO C=CCn1c(C)nn(C[N@@H+]2C[C@H]3CCCC[C@@]3(C(=O)OC)C2)c1=S ZINC000848490848 748939701 /nfs/dbraw/zinc/93/97/01/748939701.db2.gz MOLNBFFLQHUHDF-RHSMWYFYSA-N 1 2 350.488 2.531 20 30 FFEDLO C=CCn1c(C)nn(C[N@H+]2C[C@H]3CCCC[C@@]3(C(=O)OC)C2)c1=S ZINC000848490848 748939707 /nfs/dbraw/zinc/93/97/07/748939707.db2.gz MOLNBFFLQHUHDF-RHSMWYFYSA-N 1 2 350.488 2.531 20 30 FFEDLO C#C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)C1CCOCC1 ZINC000852641727 749911025 /nfs/dbraw/zinc/91/10/25/749911025.db2.gz FHTRKSQTFDIECS-MAUKXSAKSA-N 1 2 361.511 2.565 20 30 FFEDLO OC1CCN(c2ccc(C=[NH+]NC(=S)Nc3ccccc3)cc2)CC1 ZINC000853263968 750039983 /nfs/dbraw/zinc/03/99/83/750039983.db2.gz KPEWYTUPTRRZAG-UHFFFAOYSA-N 1 2 354.479 2.968 20 30 FFEDLO C=CC[N@H+](CN1C[C@H](c2cc(F)c(F)c(F)c2)CC1=O)[C@H](C)COC ZINC000853534820 750086555 /nfs/dbraw/zinc/08/65/55/750086555.db2.gz MUQSOSPYXTUZAJ-TZMCWYRMSA-N 1 2 356.388 2.900 20 30 FFEDLO C=CC[N@@H+](CN1C[C@H](c2cc(F)c(F)c(F)c2)CC1=O)[C@H](C)COC ZINC000853534820 750086560 /nfs/dbraw/zinc/08/65/60/750086560.db2.gz MUQSOSPYXTUZAJ-TZMCWYRMSA-N 1 2 356.388 2.900 20 30 FFEDLO CC[C@H](CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1)CC(F)F ZINC000853658142 750128337 /nfs/dbraw/zinc/12/83/37/750128337.db2.gz MVYLAULTERIXEE-AWEZNQCLSA-N 1 2 355.429 2.837 20 30 FFEDLO N#Cc1ccc(F)c(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c1 ZINC000854412928 750302259 /nfs/dbraw/zinc/30/22/59/750302259.db2.gz WKFQMBXQCZKCPJ-UHFFFAOYSA-N 1 2 358.442 2.932 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000054230071 845297780 /nfs/dbraw/zinc/29/77/80/845297780.db2.gz IEBCGEUELDIODE-UHFFFAOYSA-N 1 2 351.765 2.763 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC001112067994 971249295 /nfs/dbraw/zinc/24/92/95/971249295.db2.gz DJFJCVQMROVMSM-UKRRQHHQSA-N 1 2 357.376 2.997 20 30 FFEDLO O=C(C(F)C(F)(F)F)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1 ZINC001087972947 971413633 /nfs/dbraw/zinc/41/36/33/971413633.db2.gz CVYMXUYXFAQRJI-IKGGRYGDSA-N 1 2 368.374 2.719 20 30 FFEDLO O=C(C(F)C(F)(F)F)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)CC[C@@H]2C1 ZINC001087972947 971413643 /nfs/dbraw/zinc/41/36/43/971413643.db2.gz CVYMXUYXFAQRJI-IKGGRYGDSA-N 1 2 368.374 2.719 20 30 FFEDLO O=C([C@H](F)C(F)(F)F)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1 ZINC001087972947 971413651 /nfs/dbraw/zinc/41/36/51/971413651.db2.gz CVYMXUYXFAQRJI-IKGGRYGDSA-N 1 2 368.374 2.719 20 30 FFEDLO O=C([C@H](F)C(F)(F)F)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)CC[C@@H]2C1 ZINC001087972947 971413660 /nfs/dbraw/zinc/41/36/60/971413660.db2.gz CVYMXUYXFAQRJI-IKGGRYGDSA-N 1 2 368.374 2.719 20 30 FFEDLO O=C(C(F)C(F)(F)F)N1C[C@@H]2C[N@@H+](CCC(F)(F)F)CC[C@@H]2C1 ZINC001087972943 971414207 /nfs/dbraw/zinc/41/42/07/971414207.db2.gz CUGYOGBBSXYIIV-KXUCPTDWSA-N 1 2 350.278 2.620 20 30 FFEDLO O=C(C(F)C(F)(F)F)N1C[C@@H]2C[N@H+](CCC(F)(F)F)CC[C@@H]2C1 ZINC001087972943 971414215 /nfs/dbraw/zinc/41/42/15/971414215.db2.gz CUGYOGBBSXYIIV-KXUCPTDWSA-N 1 2 350.278 2.620 20 30 FFEDLO O=C([C@@H](F)C(F)(F)F)N1C[C@@H]2C[N@@H+](CCC(F)(F)F)CC[C@@H]2C1 ZINC001087972943 971414219 /nfs/dbraw/zinc/41/42/19/971414219.db2.gz CUGYOGBBSXYIIV-KXUCPTDWSA-N 1 2 350.278 2.620 20 30 FFEDLO O=C([C@@H](F)C(F)(F)F)N1C[C@@H]2C[N@H+](CCC(F)(F)F)CC[C@@H]2C1 ZINC001087972943 971414225 /nfs/dbraw/zinc/41/42/25/971414225.db2.gz CUGYOGBBSXYIIV-KXUCPTDWSA-N 1 2 350.278 2.620 20 30 FFEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)ccc1OC ZINC000896343933 971443796 /nfs/dbraw/zinc/44/37/96/971443796.db2.gz ZEKIMSZLARHUCF-INIZCTEOSA-N 1 2 370.453 2.933 20 30 FFEDLO Cc1nn2c(C[N@@H+]3CCC[C@H](Nc4ccc(C#N)cn4)C3)c(C)nc2s1 ZINC000896654473 971653113 /nfs/dbraw/zinc/65/31/13/971653113.db2.gz LVRSHJYVXLDDAC-HNNXBMFYSA-N 1 2 367.482 2.751 20 30 FFEDLO Cc1nn2c(C[N@H+]3CCC[C@H](Nc4ccc(C#N)cn4)C3)c(C)nc2s1 ZINC000896654473 971653117 /nfs/dbraw/zinc/65/31/17/971653117.db2.gz LVRSHJYVXLDDAC-HNNXBMFYSA-N 1 2 367.482 2.751 20 30 FFEDLO C[C@@H]1C[N@H+](C2CN(Cc3cc(Br)ccc3C#N)C2)C[C@H](C)O1 ZINC001141907854 971674048 /nfs/dbraw/zinc/67/40/48/971674048.db2.gz RELIJRKDSJHWTL-BETUJISGSA-N 1 2 364.287 2.614 20 30 FFEDLO C[C@@H]1C[N@@H+](C2CN(Cc3cc(Br)ccc3C#N)C2)C[C@H](C)O1 ZINC001141907854 971674053 /nfs/dbraw/zinc/67/40/53/971674053.db2.gz RELIJRKDSJHWTL-BETUJISGSA-N 1 2 364.287 2.614 20 30 FFEDLO CC(C)(C)C#CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nccs2)C1 ZINC001112100010 971868950 /nfs/dbraw/zinc/86/89/50/971868950.db2.gz XMTFGLWTQRFXDE-VXGBXAGGSA-N 1 2 359.417 2.672 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1F ZINC001111482695 972119120 /nfs/dbraw/zinc/11/91/20/972119120.db2.gz RMJHVKVYYMCPFK-OIISXLGYSA-N 1 2 350.409 2.779 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1F ZINC001111482695 972119122 /nfs/dbraw/zinc/11/91/22/972119122.db2.gz RMJHVKVYYMCPFK-OIISXLGYSA-N 1 2 350.409 2.779 20 30 FFEDLO C=CCN1CC2(C[NH+](CCCc3ccc(C(F)(F)F)cc3)C2)OCC1=O ZINC001275895608 1013154747 /nfs/dbraw/zinc/15/47/47/1013154747.db2.gz MPUOGIVOKDWAMP-UHFFFAOYSA-N 1 2 368.399 2.737 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3CCN(C(=O)C[C@@H](C)n4cc[nH+]c4)C[C@H]32)CC1 ZINC000975018780 972315104 /nfs/dbraw/zinc/31/51/04/972315104.db2.gz RPLXVZRFCUATDX-BHIYHBOVSA-N 1 2 370.497 2.640 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)CC2(C)C)O1 ZINC000975068016 972338437 /nfs/dbraw/zinc/33/84/37/972338437.db2.gz AKJAFSMHNCMIMF-XWIAVFTESA-N 1 2 359.445 2.591 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)CC2(C)C)O1 ZINC000975068016 972338442 /nfs/dbraw/zinc/33/84/42/972338442.db2.gz AKJAFSMHNCMIMF-XWIAVFTESA-N 1 2 359.445 2.591 20 30 FFEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccnc(Cl)c1F)CC2 ZINC001275951066 1013223621 /nfs/dbraw/zinc/22/36/21/1013223621.db2.gz DQVJIXBBCPLPQO-AWEZNQCLSA-N 1 2 364.852 2.896 20 30 FFEDLO COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(Cl)c1C#N ZINC001275957744 1013229319 /nfs/dbraw/zinc/22/93/19/1013229319.db2.gz VYFCPLXBLIDGRB-QZTJIDSGSA-N 1 2 361.873 2.813 20 30 FFEDLO COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(Cl)c1C#N ZINC001275957744 1013229324 /nfs/dbraw/zinc/22/93/24/1013229324.db2.gz VYFCPLXBLIDGRB-QZTJIDSGSA-N 1 2 361.873 2.813 20 30 FFEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[C@@H](c4ccccc4)C3)CC2)C1 ZINC000949394814 962410387 /nfs/dbraw/zinc/41/03/87/962410387.db2.gz FQGRUICWEWOXLT-NHCUHLMSSA-N 1 2 366.505 2.897 20 30 FFEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[C@@H](c4ccccc4)C3)CC2)C1 ZINC000949394814 962410401 /nfs/dbraw/zinc/41/04/01/962410401.db2.gz FQGRUICWEWOXLT-NHCUHLMSSA-N 1 2 366.505 2.897 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001095433031 1013345522 /nfs/dbraw/zinc/34/55/22/1013345522.db2.gz UACREJVAXWQDDH-NRKLIOEPSA-N 1 2 361.511 2.654 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001095433031 1013345530 /nfs/dbraw/zinc/34/55/30/1013345530.db2.gz UACREJVAXWQDDH-NRKLIOEPSA-N 1 2 361.511 2.654 20 30 FFEDLO C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3csc(Cl)n3)C2)C1=O ZINC001276039356 1013353039 /nfs/dbraw/zinc/35/30/39/1013353039.db2.gz WXHOAIOKNIQSFO-INIZCTEOSA-N 1 2 353.875 2.714 20 30 FFEDLO C=C(C)CN1C(=O)C[C@]2(CCC[N@@H+](Cc3csc(Cl)n3)C2)C1=O ZINC001276039356 1013353043 /nfs/dbraw/zinc/35/30/43/1013353043.db2.gz WXHOAIOKNIQSFO-INIZCTEOSA-N 1 2 353.875 2.714 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1F ZINC001110183518 1013419955 /nfs/dbraw/zinc/41/99/55/1013419955.db2.gz XFESUBWKXQFIDO-ZYUBPSHWSA-N 1 2 350.409 2.777 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1F ZINC001110183518 1013419960 /nfs/dbraw/zinc/41/99/60/1013419960.db2.gz XFESUBWKXQFIDO-ZYUBPSHWSA-N 1 2 350.409 2.777 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1F ZINC001110183517 1013420672 /nfs/dbraw/zinc/42/06/72/1013420672.db2.gz XFESUBWKXQFIDO-FXBSTXGRSA-N 1 2 350.409 2.777 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1F ZINC001110183517 1013420679 /nfs/dbraw/zinc/42/06/79/1013420679.db2.gz XFESUBWKXQFIDO-FXBSTXGRSA-N 1 2 350.409 2.777 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncc(CC)o1 ZINC000960649573 1013440775 /nfs/dbraw/zinc/44/07/75/1013440775.db2.gz YDBLGHDOYKTALW-NXHRZFHOSA-N 1 2 361.486 2.641 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncc(CC)o1 ZINC000960649573 1013440784 /nfs/dbraw/zinc/44/07/84/1013440784.db2.gz YDBLGHDOYKTALW-NXHRZFHOSA-N 1 2 361.486 2.641 20 30 FFEDLO C#CCOC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000728331859 963771997 /nfs/dbraw/zinc/77/19/97/963771997.db2.gz FGWGHUCSGSXTAT-UHFFFAOYSA-N 1 2 369.852 2.847 20 30 FFEDLO C#CC[N@@H+](CC(=O)Nc1c(C)nn(C)c1C)[C@H]1CCCc2ccccc21 ZINC000933422026 964358851 /nfs/dbraw/zinc/35/88/51/964358851.db2.gz PCPZMBGYHMEHDJ-IBGZPJMESA-N 1 2 350.466 2.988 20 30 FFEDLO C#CC[N@H+](CC(=O)Nc1c(C)nn(C)c1C)[C@H]1CCCc2ccccc21 ZINC000933422026 964358857 /nfs/dbraw/zinc/35/88/57/964358857.db2.gz PCPZMBGYHMEHDJ-IBGZPJMESA-N 1 2 350.466 2.988 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960870986 1013501160 /nfs/dbraw/zinc/50/11/60/1013501160.db2.gz BKAQWGIQKQXIGM-CCKFTAQKSA-N 1 2 359.445 2.545 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960870986 1013501165 /nfs/dbraw/zinc/50/11/65/1013501165.db2.gz BKAQWGIQKQXIGM-CCKFTAQKSA-N 1 2 359.445 2.545 20 30 FFEDLO CC(=O)c1ccc(C#N)c(NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)c1 ZINC000664627079 964796710 /nfs/dbraw/zinc/79/67/10/964796710.db2.gz KFDAUIQNUVRYDG-NRFANRHFSA-N 1 2 362.477 2.989 20 30 FFEDLO CC(=O)c1ccc(C#N)c(NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)c1 ZINC000664627079 964796717 /nfs/dbraw/zinc/79/67/17/964796717.db2.gz KFDAUIQNUVRYDG-NRFANRHFSA-N 1 2 362.477 2.989 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccoc3CC)[C@@H]2C1 ZINC001075749175 964891074 /nfs/dbraw/zinc/89/10/74/964891074.db2.gz KQVHWHASKHRBHU-GXTWGEPZSA-N 1 2 353.260 2.897 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccoc3CC)[C@@H]2C1 ZINC001075749175 964891087 /nfs/dbraw/zinc/89/10/87/964891087.db2.gz KQVHWHASKHRBHU-GXTWGEPZSA-N 1 2 353.260 2.897 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000176271553 965624642 /nfs/dbraw/zinc/62/46/42/965624642.db2.gz BIZUERJOPNBOLL-HXUWFJFHSA-N 1 2 372.490 2.696 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000176271553 965624648 /nfs/dbraw/zinc/62/46/48/965624648.db2.gz BIZUERJOPNBOLL-HXUWFJFHSA-N 1 2 372.490 2.696 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccncc2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087485861 966055063 /nfs/dbraw/zinc/05/50/63/966055063.db2.gz BNPLTWLYRVYVGY-RBUKOAKNSA-N 1 2 352.413 2.875 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccncc2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087485861 966055069 /nfs/dbraw/zinc/05/50/69/966055069.db2.gz BNPLTWLYRVYVGY-RBUKOAKNSA-N 1 2 352.413 2.875 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3oc4ccccc4c3Cl)[C@H]2C1 ZINC001083246208 966678767 /nfs/dbraw/zinc/67/87/67/966678767.db2.gz FFKISNNSXSHSGU-GOEBONIOSA-N 1 2 358.825 2.635 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3oc4ccccc4c3Cl)[C@H]2C1 ZINC001083246208 966678772 /nfs/dbraw/zinc/67/87/72/966678772.db2.gz FFKISNNSXSHSGU-GOEBONIOSA-N 1 2 358.825 2.635 20 30 FFEDLO C=CCN1CC[C@H](N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1=O ZINC000684999290 966824747 /nfs/dbraw/zinc/82/47/47/966824747.db2.gz FDDPDHNNKGOZSW-KRWDZBQOSA-N 1 2 367.415 2.610 20 30 FFEDLO N#Cc1ccccc1CNc1ccc(I)c(N)[nH+]1 ZINC001167634773 967073684 /nfs/dbraw/zinc/07/36/84/967073684.db2.gz JJKLGVAWUPETMP-UHFFFAOYSA-N 1 2 350.163 2.752 20 30 FFEDLO Cc1cccc2c1OC[C@H]([NH+]=C([O-])N1CC[C@H](C)[C@@H](n3cc[nH+]c3)C1)C2 ZINC000329598135 967836807 /nfs/dbraw/zinc/83/68/07/967836807.db2.gz CZBLRNOPMARYSF-QGTPRVQTSA-N 1 2 354.454 2.992 20 30 FFEDLO Cc1cccc2c1OC[C@H](NC(=O)N1CC[C@H](C)[C@@H](n3cc[nH+]c3)C1)C2 ZINC000329598135 967836820 /nfs/dbraw/zinc/83/68/20/967836820.db2.gz CZBLRNOPMARYSF-QGTPRVQTSA-N 1 2 354.454 2.992 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCCO2)[C@H]1CC ZINC001087537891 967941855 /nfs/dbraw/zinc/94/18/55/967941855.db2.gz WMMKLFJMUDVYBM-SOUVJXGZSA-N 1 2 359.308 2.823 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCCO2)[C@H]1CC ZINC001087537891 967941863 /nfs/dbraw/zinc/94/18/63/967941863.db2.gz WMMKLFJMUDVYBM-SOUVJXGZSA-N 1 2 359.308 2.823 20 30 FFEDLO C=CCNC(=O)[C@@H]1CC12CCN(C(=O)CCc1ccc(C)[nH+]c1C)CC2 ZINC001271026321 967978746 /nfs/dbraw/zinc/97/87/46/967978746.db2.gz HKXIHWIJIDWFCP-SFHVURJKSA-N 1 2 355.482 2.562 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCO2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087542734 967988313 /nfs/dbraw/zinc/98/83/13/967988313.db2.gz AYCIGOFUQGJAAG-OTWHNJEPSA-N 1 2 359.445 2.736 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCO2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087542734 967988320 /nfs/dbraw/zinc/98/83/20/967988320.db2.gz AYCIGOFUQGJAAG-OTWHNJEPSA-N 1 2 359.445 2.736 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1cc(C(C)(C)C)on1 ZINC001087545579 968019946 /nfs/dbraw/zinc/01/99/46/968019946.db2.gz RGXWQAOAHZXZNW-DOTOQJQBSA-N 1 2 369.469 2.955 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1cc(C(C)(C)C)on1 ZINC001087545579 968019956 /nfs/dbraw/zinc/01/99/56/968019956.db2.gz RGXWQAOAHZXZNW-DOTOQJQBSA-N 1 2 369.469 2.955 20 30 FFEDLO N#Cc1ccc2ncc(C[N@H+]3CC[C@@]4(C3)CC(=O)c3ccccc3O4)n2c1 ZINC000639265218 968134154 /nfs/dbraw/zinc/13/41/54/968134154.db2.gz HDSVOCPVBURLIC-NRFANRHFSA-N 1 2 358.401 2.816 20 30 FFEDLO N#Cc1ccc2ncc(C[N@@H+]3CC[C@@]4(C3)CC(=O)c3ccccc3O4)n2c1 ZINC000639265218 968134156 /nfs/dbraw/zinc/13/41/56/968134156.db2.gz HDSVOCPVBURLIC-NRFANRHFSA-N 1 2 358.401 2.816 20 30 FFEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)C2)C1 ZINC000972684934 968255806 /nfs/dbraw/zinc/25/58/06/968255806.db2.gz YUYGHFCDYZZXKP-YRNRMSPPSA-N 1 2 362.420 2.558 20 30 FFEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)C2)C1 ZINC000972684934 968255815 /nfs/dbraw/zinc/25/58/15/968255815.db2.gz YUYGHFCDYZZXKP-YRNRMSPPSA-N 1 2 362.420 2.558 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C)on2)[C@@H]1CC ZINC001087755506 968886698 /nfs/dbraw/zinc/88/66/98/968886698.db2.gz SRHXBECNPILJEC-OKYOBFRVSA-N 1 2 361.486 2.823 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)on2)[C@@H]1CC ZINC001087755506 968886706 /nfs/dbraw/zinc/88/67/06/968886706.db2.gz SRHXBECNPILJEC-OKYOBFRVSA-N 1 2 361.486 2.823 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001267481227 969085382 /nfs/dbraw/zinc/08/53/82/969085382.db2.gz GQCXAXOWFRHYIJ-FPCVCCKLSA-N 1 2 371.319 2.775 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001267481227 969085395 /nfs/dbraw/zinc/08/53/95/969085395.db2.gz GQCXAXOWFRHYIJ-FPCVCCKLSA-N 1 2 371.319 2.775 20 30 FFEDLO C[C@@H](NC(=O)N1CCC(c2ccc(C#N)cc2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000892838624 970321128 /nfs/dbraw/zinc/32/11/28/970321128.db2.gz PMCSWECOVBEIMR-SJORKVTESA-N 1 2 370.497 2.556 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2nccn2CC)[C@@H]1CC ZINC001087810741 970322845 /nfs/dbraw/zinc/32/28/45/970322845.db2.gz JZGPWAQGUULLGL-VQTJNVASSA-N 1 2 364.493 2.596 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2nccn2CC)[C@@H]1CC ZINC001087810741 970322857 /nfs/dbraw/zinc/32/28/57/970322857.db2.gz JZGPWAQGUULLGL-VQTJNVASSA-N 1 2 364.493 2.596 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)NC1C[NH+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001267639636 970375857 /nfs/dbraw/zinc/37/58/57/970375857.db2.gz NFHAXKDBVOABCZ-WBAXXEDZSA-N 1 2 364.436 2.817 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn(-c3ccccc3)n2)[C@H]1CC ZINC001087823824 970425044 /nfs/dbraw/zinc/42/50/44/970425044.db2.gz SMUYJUIHXWYZLW-DOTOQJQBSA-N 1 2 359.861 2.603 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3ccccc3)n2)[C@H]1CC ZINC001087823824 970425054 /nfs/dbraw/zinc/42/50/54/970425054.db2.gz SMUYJUIHXWYZLW-DOTOQJQBSA-N 1 2 359.861 2.603 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3nncs3)CC[C@@H]2C1)c1ccccc1 ZINC001088210096 973660794 /nfs/dbraw/zinc/66/07/94/973660794.db2.gz WVUCXFYCHRPBNU-SQNIBIBYSA-N 1 2 368.506 2.788 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3nncs3)CC[C@@H]2C1)c1ccccc1 ZINC001088210096 973660799 /nfs/dbraw/zinc/66/07/99/973660799.db2.gz WVUCXFYCHRPBNU-SQNIBIBYSA-N 1 2 368.506 2.788 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2CC)C1 ZINC000985427425 974058372 /nfs/dbraw/zinc/05/83/72/974058372.db2.gz JCLABYMLJXBQKR-HLLBOEOZSA-N 1 2 370.497 2.682 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)c1C ZINC000876283887 1014210882 /nfs/dbraw/zinc/21/08/82/1014210882.db2.gz HPGUQXFKUZQPNR-GOSISDBHSA-N 1 2 364.449 2.888 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3ccc(F)cc3O2)[C@H]1C ZINC001088747087 975720640 /nfs/dbraw/zinc/72/06/40/975720640.db2.gz IXXTVPAFVJTKIG-UHOFOFEASA-N 1 2 352.837 2.851 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3ccc(F)cc3O2)[C@H]1C ZINC001088747087 975720648 /nfs/dbraw/zinc/72/06/48/975720648.db2.gz IXXTVPAFVJTKIG-UHOFOFEASA-N 1 2 352.837 2.851 20 30 FFEDLO O=C(c1cncs1)N1CC[C@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001075589157 975972915 /nfs/dbraw/zinc/97/29/15/975972915.db2.gz USQDALUTKJBDHM-DOTOQJQBSA-N 1 2 371.893 2.995 20 30 FFEDLO O=C(c1cncs1)N1CC[C@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001075589157 975972921 /nfs/dbraw/zinc/97/29/21/975972921.db2.gz USQDALUTKJBDHM-DOTOQJQBSA-N 1 2 371.893 2.995 20 30 FFEDLO N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)c1 ZINC000898492556 976497330 /nfs/dbraw/zinc/49/73/30/976497330.db2.gz VULGGAJEOQHMAG-QGZVFWFLSA-N 1 2 371.412 2.894 20 30 FFEDLO N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2CCC[N@H+](CCF)C2)c1 ZINC000898492556 976497340 /nfs/dbraw/zinc/49/73/40/976497340.db2.gz VULGGAJEOQHMAG-QGZVFWFLSA-N 1 2 371.412 2.894 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccn(C(C)C)n1 ZINC001028195087 977094153 /nfs/dbraw/zinc/09/41/53/977094153.db2.gz IPNCRZFTGJTHGC-FHWLQOOXSA-N 1 2 360.502 2.526 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccn(C(C)C)n1 ZINC001028195087 977094163 /nfs/dbraw/zinc/09/41/63/977094163.db2.gz IPNCRZFTGJTHGC-FHWLQOOXSA-N 1 2 360.502 2.526 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@H]21 ZINC001075616166 977316675 /nfs/dbraw/zinc/31/66/75/977316675.db2.gz LHJRQOPAEOLSOM-JLJPHGGASA-N 1 2 368.412 2.673 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@H]21 ZINC001075616166 977316680 /nfs/dbraw/zinc/31/66/80/977316680.db2.gz LHJRQOPAEOLSOM-JLJPHGGASA-N 1 2 368.412 2.673 20 30 FFEDLO Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCN(C(=O)[C@H](C)C#N)[C@@H]4C3)cs2)o1 ZINC001075616177 977317728 /nfs/dbraw/zinc/31/77/28/977317728.db2.gz LVGRWSKGLOKXTM-IVMMDQJWSA-N 1 2 370.478 2.904 20 30 FFEDLO Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCN(C(=O)[C@H](C)C#N)[C@@H]4C3)cs2)o1 ZINC001075616177 977317735 /nfs/dbraw/zinc/31/77/35/977317735.db2.gz LVGRWSKGLOKXTM-IVMMDQJWSA-N 1 2 370.478 2.904 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2F)CC1 ZINC000982173130 977322703 /nfs/dbraw/zinc/32/27/03/977322703.db2.gz FHWJRJZYEQNOME-HKUYNNGSSA-N 1 2 364.436 2.980 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2F)CC1 ZINC000982173130 977322706 /nfs/dbraw/zinc/32/27/06/977322706.db2.gz FHWJRJZYEQNOME-HKUYNNGSSA-N 1 2 364.436 2.980 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2conc2CC)C1 ZINC001087458223 977923301 /nfs/dbraw/zinc/92/33/01/977923301.db2.gz QCCPNLNTHRVMIX-VQIMIIECSA-N 1 2 355.413 2.597 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2conc2CC)C1 ZINC001087458223 977923310 /nfs/dbraw/zinc/92/33/10/977923310.db2.gz QCCPNLNTHRVMIX-VQIMIIECSA-N 1 2 355.413 2.597 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cnoc2CC)C1 ZINC001087458597 977928288 /nfs/dbraw/zinc/92/82/88/977928288.db2.gz KJJSEKNEQWRERT-IEBWSBKVSA-N 1 2 369.440 2.987 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cnoc2CC)C1 ZINC001087458597 977928293 /nfs/dbraw/zinc/92/82/93/977928293.db2.gz KJJSEKNEQWRERT-IEBWSBKVSA-N 1 2 369.440 2.987 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2oncc2C)C1 ZINC001087459590 977980123 /nfs/dbraw/zinc/98/01/23/977980123.db2.gz MNOOYSOWMKKNNO-QZTJIDSGSA-N 1 2 355.413 2.733 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2oncc2C)C1 ZINC001087459590 977980126 /nfs/dbraw/zinc/98/01/26/977980126.db2.gz MNOOYSOWMKKNNO-QZTJIDSGSA-N 1 2 355.413 2.733 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cncs2)C1 ZINC001087463044 978133813 /nfs/dbraw/zinc/13/38/13/978133813.db2.gz NWBZOOAEHKSFIM-IAGOWNOFSA-N 1 2 357.454 2.893 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cncs2)C1 ZINC001087463044 978133815 /nfs/dbraw/zinc/13/38/15/978133815.db2.gz NWBZOOAEHKSFIM-IAGOWNOFSA-N 1 2 357.454 2.893 20 30 FFEDLO C[C@H](NCc1cc(C#N)cnc1Cl)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000877059093 1014464364 /nfs/dbraw/zinc/46/43/64/1014464364.db2.gz QKZRMKYDGYFANE-KXBFYZLASA-N 1 2 370.884 2.986 20 30 FFEDLO C[C@H](NCc1cc(C#N)cnc1Cl)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000877059093 1014464371 /nfs/dbraw/zinc/46/43/71/1014464371.db2.gz QKZRMKYDGYFANE-KXBFYZLASA-N 1 2 370.884 2.986 20 30 FFEDLO C[C@H](c1cccc(NC(=O)COc2cccc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000729409530 978279786 /nfs/dbraw/zinc/27/97/86/978279786.db2.gz IMEPLGUKAABFCS-MRXNPFEDSA-N 1 2 365.433 2.969 20 30 FFEDLO C[NH+](C)Cc1nc(CSCCNc2ccc(OCC#N)cn2)cs1 ZINC001168106703 979397385 /nfs/dbraw/zinc/39/73/85/979397385.db2.gz GTRSNPPDQBSKIA-UHFFFAOYSA-N 1 2 363.512 2.847 20 30 FFEDLO CCc1nc(C)c(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)o1 ZINC001076430663 979489911 /nfs/dbraw/zinc/48/99/11/979489911.db2.gz WSULSEWGLYRALM-ZWKOTPCHSA-N 1 2 364.449 2.764 20 30 FFEDLO CCc1nc(C)c(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)o1 ZINC001076430663 979489914 /nfs/dbraw/zinc/48/99/14/979489914.db2.gz WSULSEWGLYRALM-ZWKOTPCHSA-N 1 2 364.449 2.764 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)COc3ccsc3)[C@@H]2C1 ZINC001076463559 979537573 /nfs/dbraw/zinc/53/75/73/979537573.db2.gz WLWHTNVAJOMDNF-GXTWGEPZSA-N 1 2 371.300 2.568 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)COc3ccsc3)[C@@H]2C1 ZINC001076463559 979537576 /nfs/dbraw/zinc/53/75/76/979537576.db2.gz WLWHTNVAJOMDNF-GXTWGEPZSA-N 1 2 371.300 2.568 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](OC)C3CCCC3)[C@@H]2C1 ZINC001076508452 979587278 /nfs/dbraw/zinc/58/72/78/979587278.db2.gz WWWIBVKQPDXLSE-XHSDSOJGSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](OC)C3CCCC3)[C@@H]2C1 ZINC001076508452 979587285 /nfs/dbraw/zinc/58/72/85/979587285.db2.gz WWWIBVKQPDXLSE-XHSDSOJGSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3nccs3)[C@@H]2C1 ZINC001076586344 979694183 /nfs/dbraw/zinc/69/41/83/979694183.db2.gz SRGVBALNKREDGX-QWHCGFSZSA-N 1 2 370.316 2.517 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3nccs3)[C@@H]2C1 ZINC001076586344 979694187 /nfs/dbraw/zinc/69/41/87/979694187.db2.gz SRGVBALNKREDGX-QWHCGFSZSA-N 1 2 370.316 2.517 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cnns3)C[C@H]21)c1ccccc1 ZINC001076599506 979701775 /nfs/dbraw/zinc/70/17/75/979701775.db2.gz RYNDVPSTUSLCEK-CGTJXYLNSA-N 1 2 354.479 2.541 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cnns3)C[C@H]21)c1ccccc1 ZINC001076599506 979701786 /nfs/dbraw/zinc/70/17/86/979701786.db2.gz RYNDVPSTUSLCEK-CGTJXYLNSA-N 1 2 354.479 2.541 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(C2(c3ccccc3F)CCCC2)no1 ZINC000904119841 980189932 /nfs/dbraw/zinc/18/99/32/980189932.db2.gz ZTAJQUOOUMOKTI-HNNXBMFYSA-N 1 2 359.401 2.668 20 30 FFEDLO CCC(CC)n1ccc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)n1 ZINC001088533220 980459140 /nfs/dbraw/zinc/45/91/40/980459140.db2.gz GETUUYKAZGATIL-KUHUBIRLSA-N 1 2 368.485 2.837 20 30 FFEDLO CCC(CC)n1ccc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)n1 ZINC001088533220 980459145 /nfs/dbraw/zinc/45/91/45/980459145.db2.gz GETUUYKAZGATIL-KUHUBIRLSA-N 1 2 368.485 2.837 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nnc(C)s3)C[C@H]21 ZINC001075885221 980477197 /nfs/dbraw/zinc/47/71/97/980477197.db2.gz LODCVSMBVDQKIT-JLJPHGGASA-N 1 2 371.510 2.742 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3nnc(C)s3)C[C@H]21 ZINC001075885221 980477202 /nfs/dbraw/zinc/47/72/02/980477202.db2.gz LODCVSMBVDQKIT-JLJPHGGASA-N 1 2 371.510 2.742 20 30 FFEDLO C=CC(C)(C)C(=O)N1CCCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000987095966 980500511 /nfs/dbraw/zinc/50/05/11/980500511.db2.gz IFRXJRCDEHFZSL-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CC(C)(C)C(=O)N1CCCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000987095966 980500515 /nfs/dbraw/zinc/50/05/15/980500515.db2.gz IFRXJRCDEHFZSL-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001211992733 981411555 /nfs/dbraw/zinc/41/15/55/981411555.db2.gz VMIJFNFWTPBYSN-BMGDILEWSA-N 1 2 366.889 2.637 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001211992733 981411558 /nfs/dbraw/zinc/41/15/58/981411558.db2.gz VMIJFNFWTPBYSN-BMGDILEWSA-N 1 2 366.889 2.637 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[C@H](C)C(C)C ZINC001212004448 981449292 /nfs/dbraw/zinc/44/92/92/981449292.db2.gz GDMMGSOSXQIODC-GDIGMMSISA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[C@H](C)C(C)C ZINC001212004448 981449298 /nfs/dbraw/zinc/44/92/98/981449298.db2.gz GDMMGSOSXQIODC-GDIGMMSISA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2c(Cl)oc3ccccc32)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041231 981468699 /nfs/dbraw/zinc/46/86/99/981468699.db2.gz JDRHZJPEQWKEEA-DJSGYFEHSA-N 1 2 361.829 2.561 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2c(Cl)oc3ccccc32)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041231 981468701 /nfs/dbraw/zinc/46/87/01/981468701.db2.gz JDRHZJPEQWKEEA-DJSGYFEHSA-N 1 2 361.829 2.561 20 30 FFEDLO COC(=O)COc1ccccc1C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000897595648 982370592 /nfs/dbraw/zinc/37/05/92/982370592.db2.gz DYDHGWXNSMFQFM-FQEVSTJZSA-N 1 2 366.417 2.684 20 30 FFEDLO COC(=O)COc1ccccc1C[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000897595648 982370598 /nfs/dbraw/zinc/37/05/98/982370598.db2.gz DYDHGWXNSMFQFM-FQEVSTJZSA-N 1 2 366.417 2.684 20 30 FFEDLO CC(C)c1cc(=O)[nH]c(N2CC[C@H]([NH2+]Cc3cc(C#N)cnc3Cl)C2)n1 ZINC000897703320 982481214 /nfs/dbraw/zinc/48/12/14/982481214.db2.gz AKGSDNGBRYHSQV-AWEZNQCLSA-N 1 2 372.860 2.594 20 30 FFEDLO CC(=O)c1ccc(N2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)c(F)c1 ZINC000126918149 1014866841 /nfs/dbraw/zinc/86/68/41/1014866841.db2.gz HCLPBVVPQMZXPH-OAQYLSRUSA-N 1 2 367.424 2.756 20 30 FFEDLO CCOc1ccc(C=[NH+]CCCN2C(=O)NC3(CCCCC3)C2=O)c(O)c1 ZINC000912782447 984118359 /nfs/dbraw/zinc/11/83/59/984118359.db2.gz TUOUEDOGEWGWCM-STZFKDTASA-N 1 2 373.453 2.855 20 30 FFEDLO Cc1cccn2cc(CC(=O)N3CCC(c4ccc(C#N)cn4)CC3)[nH+]c12 ZINC000912932593 984151038 /nfs/dbraw/zinc/15/10/38/984151038.db2.gz CJFHROPIPYVLNX-UHFFFAOYSA-N 1 2 359.433 2.858 20 30 FFEDLO CC(C)c1nnc2n1CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]2C ZINC000439290525 984372246 /nfs/dbraw/zinc/37/22/46/984372246.db2.gz YKEHXCHLMZBQNQ-CQSZACIVSA-N 1 2 352.442 2.679 20 30 FFEDLO CC(C)c1nnc2n1CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]2C ZINC000439290525 984372256 /nfs/dbraw/zinc/37/22/56/984372256.db2.gz YKEHXCHLMZBQNQ-CQSZACIVSA-N 1 2 352.442 2.679 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)c3ccccc3)[C@@H]2C)C1 ZINC001088840823 984523023 /nfs/dbraw/zinc/52/30/23/984523023.db2.gz XQXGMAUDRLSKSN-AEFFLSMTSA-N 1 2 355.482 2.585 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)c3ccccc3)[C@@H]2C)C1 ZINC001088840823 984523027 /nfs/dbraw/zinc/52/30/27/984523027.db2.gz XQXGMAUDRLSKSN-AEFFLSMTSA-N 1 2 355.482 2.585 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC/C=C\CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107551522 984678798 /nfs/dbraw/zinc/67/87/98/984678798.db2.gz MAOCGOAYEAECOD-IIFCEKJISA-N 1 2 370.497 2.729 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](Cc2cccc3cccnc32)C1 ZINC001030334076 984698076 /nfs/dbraw/zinc/69/80/76/984698076.db2.gz UAEIRZPUNUIJSS-MOPGFXCFSA-N 1 2 351.450 2.516 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ccc(F)c(F)c3)C[C@H]2O)CC1 ZINC001077625065 984718947 /nfs/dbraw/zinc/71/89/47/984718947.db2.gz OXVYWYBZVMZHKH-UPRAQXHNSA-N 1 2 364.436 2.934 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ccc(F)c(F)c3)C[C@H]2O)CC1 ZINC001077625065 984718950 /nfs/dbraw/zinc/71/89/50/984718950.db2.gz OXVYWYBZVMZHKH-UPRAQXHNSA-N 1 2 364.436 2.934 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ccc(F)cc3F)C[C@H]2O)CC1 ZINC001077625968 984725846 /nfs/dbraw/zinc/72/58/46/984725846.db2.gz JSGJEHFOUCAHFM-UPRAQXHNSA-N 1 2 364.436 2.934 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ccc(F)cc3F)C[C@H]2O)CC1 ZINC001077625968 984725851 /nfs/dbraw/zinc/72/58/51/984725851.db2.gz JSGJEHFOUCAHFM-UPRAQXHNSA-N 1 2 364.436 2.934 20 30 FFEDLO C[NH+](C)c1ccc(N2CCC(/N=C/c3ccc(O)c(O)c3O)CC2)cc1 ZINC000158164312 984790193 /nfs/dbraw/zinc/79/01/93/984790193.db2.gz BOUWXLQGPGJJBO-FYJGNVAPSA-N 1 2 355.438 2.957 20 30 FFEDLO NC(=[NH+]OCC(=O)NC1CCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000060100314 984865354 /nfs/dbraw/zinc/86/53/54/984865354.db2.gz TZEKPUZSEMUUMA-UHFFFAOYSA-N 1 2 367.449 2.961 20 30 FFEDLO CCc1ncoc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2OC)[C@@H]1C ZINC001088846530 984982861 /nfs/dbraw/zinc/98/28/61/984982861.db2.gz SXGLDASOLYJEMY-DYVFJYSZSA-N 1 2 368.437 2.510 20 30 FFEDLO CCc1ncoc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2OC)[C@@H]1C ZINC001088846530 984982865 /nfs/dbraw/zinc/98/28/65/984982865.db2.gz SXGLDASOLYJEMY-DYVFJYSZSA-N 1 2 368.437 2.510 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)c2CC)[C@H]1C ZINC001088859139 985065534 /nfs/dbraw/zinc/06/55/34/985065534.db2.gz NLPGDMWMEMNFKG-OCCSQVGLSA-N 1 2 354.292 2.689 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)c2CC)[C@H]1C ZINC001088859139 985065539 /nfs/dbraw/zinc/06/55/39/985065539.db2.gz NLPGDMWMEMNFKG-OCCSQVGLSA-N 1 2 354.292 2.689 20 30 FFEDLO C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[N@H+](Cc2ccccc2)C2CC2)C1=O ZINC000170637628 985100915 /nfs/dbraw/zinc/10/09/15/985100915.db2.gz JYBVVBGKBOLUSI-JOCHJYFZSA-N 1 2 374.444 2.947 20 30 FFEDLO C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[N@@H+](Cc2ccccc2)C2CC2)C1=O ZINC000170637628 985100919 /nfs/dbraw/zinc/10/09/19/985100919.db2.gz JYBVVBGKBOLUSI-JOCHJYFZSA-N 1 2 374.444 2.947 20 30 FFEDLO C=C1CCC(C(=O)N2CCCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000964575813 1015105588 /nfs/dbraw/zinc/10/55/88/1015105588.db2.gz FOUIJMCYIXGBQY-KZNAEPCWSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CCC(C(=O)N2CCCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000964575813 1015105592 /nfs/dbraw/zinc/10/55/92/1015105592.db2.gz FOUIJMCYIXGBQY-KZNAEPCWSA-N 1 2 370.497 2.757 20 30 FFEDLO Cc1ncc(Cl)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)n1 ZINC001088899569 985386581 /nfs/dbraw/zinc/38/65/81/985386581.db2.gz NYIROGSKAQLNRF-PXAZEXFGSA-N 1 2 369.856 2.703 20 30 FFEDLO Cc1ncc(Cl)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)n1 ZINC001088899569 985386592 /nfs/dbraw/zinc/38/65/92/985386592.db2.gz NYIROGSKAQLNRF-PXAZEXFGSA-N 1 2 369.856 2.703 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)s3)[C@@H]2C)cc1 ZINC001088906225 985413192 /nfs/dbraw/zinc/41/31/92/985413192.db2.gz LMXSSMDMBUCBNS-QAPCUYQASA-N 1 2 369.490 2.856 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)s3)[C@@H]2C)cc1 ZINC001088906225 985413196 /nfs/dbraw/zinc/41/31/96/985413196.db2.gz LMXSSMDMBUCBNS-QAPCUYQASA-N 1 2 369.490 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc(C)c(C)o2)[C@@H]1C ZINC001088908571 985417739 /nfs/dbraw/zinc/41/77/39/985417739.db2.gz GDRPPWTZSITBPC-WMEZAQDKSA-N 1 2 361.486 2.742 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)c(C)o2)[C@@H]1C ZINC001088908571 985417743 /nfs/dbraw/zinc/41/77/43/985417743.db2.gz GDRPPWTZSITBPC-WMEZAQDKSA-N 1 2 361.486 2.742 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)[C@@H]1C ZINC001088913534 985435308 /nfs/dbraw/zinc/43/53/08/985435308.db2.gz BXQVBRZVPVEYDT-BVBHFADKSA-N 1 2 360.502 2.524 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccn(C(C)C)n2)[C@@H]1C ZINC001088913534 985435314 /nfs/dbraw/zinc/43/53/14/985435314.db2.gz BXQVBRZVPVEYDT-BVBHFADKSA-N 1 2 360.502 2.524 20 30 FFEDLO N#Cc1ccc(F)c(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000888352031 985484791 /nfs/dbraw/zinc/48/47/91/985484791.db2.gz FSOPEBYXQCQOLU-KRWDZBQOSA-N 1 2 368.412 2.720 20 30 FFEDLO N#Cc1ccc(F)c(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000888352031 985484792 /nfs/dbraw/zinc/48/47/92/985484792.db2.gz FSOPEBYXQCQOLU-KRWDZBQOSA-N 1 2 368.412 2.720 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)o1 ZINC001088938478 985538905 /nfs/dbraw/zinc/53/89/05/985538905.db2.gz QITFFUQBGOYMNZ-WBMJQRKESA-N 1 2 357.385 2.692 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)o1 ZINC001088938478 985538908 /nfs/dbraw/zinc/53/89/08/985538908.db2.gz QITFFUQBGOYMNZ-WBMJQRKESA-N 1 2 357.385 2.692 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2coc(C3CCOCC3)n2)[C@H]1C ZINC001088964098 985648301 /nfs/dbraw/zinc/64/83/01/985648301.db2.gz LLBOVJNFMNDDSE-OCCSQVGLSA-N 1 2 353.850 2.514 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2coc(C3CCOCC3)n2)[C@H]1C ZINC001088964098 985648306 /nfs/dbraw/zinc/64/83/06/985648306.db2.gz LLBOVJNFMNDDSE-OCCSQVGLSA-N 1 2 353.850 2.514 20 30 FFEDLO CCCc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)co1 ZINC001088979091 985725012 /nfs/dbraw/zinc/72/50/12/985725012.db2.gz TWNVYZSVWQHTFR-PBHICJAKSA-N 1 2 352.438 2.892 20 30 FFEDLO CCCc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)co1 ZINC001088979091 985725022 /nfs/dbraw/zinc/72/50/22/985725022.db2.gz TWNVYZSVWQHTFR-PBHICJAKSA-N 1 2 352.438 2.892 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc4ccccc4o3)[C@@H]2C)cn1 ZINC001088990611 985786323 /nfs/dbraw/zinc/78/63/23/985786323.db2.gz GLHYEQMWASIDHF-PBHICJAKSA-N 1 2 360.417 2.597 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc4ccccc4o3)[C@@H]2C)cn1 ZINC001088990611 985786332 /nfs/dbraw/zinc/78/63/32/985786332.db2.gz GLHYEQMWASIDHF-PBHICJAKSA-N 1 2 360.417 2.597 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2ncc(C)s2)[C@@H]1C ZINC001089006491 985889774 /nfs/dbraw/zinc/88/97/74/985889774.db2.gz HYVHREYIYVYPSS-QAPCUYQASA-N 1 2 353.491 2.755 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)s2)[C@@H]1C ZINC001089006491 985889783 /nfs/dbraw/zinc/88/97/83/985889783.db2.gz HYVHREYIYVYPSS-QAPCUYQASA-N 1 2 353.491 2.755 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001089034308 986038208 /nfs/dbraw/zinc/03/82/08/986038208.db2.gz OGOZPIPWUTVZMY-XIKOKIGWSA-N 1 2 370.428 2.949 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001089034308 986038214 /nfs/dbraw/zinc/03/82/14/986038214.db2.gz OGOZPIPWUTVZMY-XIKOKIGWSA-N 1 2 370.428 2.949 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2oc(C)nc2C)C1 ZINC001098773831 986115666 /nfs/dbraw/zinc/11/56/66/986115666.db2.gz PXPROXXAZPONEN-BBRMVZONSA-N 1 2 368.275 2.784 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2oc(C)nc2C)C1 ZINC001098773831 986115670 /nfs/dbraw/zinc/11/56/70/986115670.db2.gz PXPROXXAZPONEN-BBRMVZONSA-N 1 2 368.275 2.784 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C(C)C)n1 ZINC001032638029 986185797 /nfs/dbraw/zinc/18/57/97/986185797.db2.gz GNLWARQRDMMNBF-GNBUJSLZSA-N 1 2 355.482 2.581 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C(C)C)n1 ZINC001032638029 986185800 /nfs/dbraw/zinc/18/58/00/986185800.db2.gz GNLWARQRDMMNBF-GNBUJSLZSA-N 1 2 355.482 2.581 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cccc3nsnc32)[C@H]1C ZINC001089091260 986304410 /nfs/dbraw/zinc/30/44/10/986304410.db2.gz RFOYQQUDUORFKP-YPMHNXCESA-N 1 2 350.875 2.565 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cccc3nsnc32)[C@H]1C ZINC001089091260 986304415 /nfs/dbraw/zinc/30/44/15/986304415.db2.gz RFOYQQUDUORFKP-YPMHNXCESA-N 1 2 350.875 2.565 20 30 FFEDLO CC(C)N(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001486375736 987277329 /nfs/dbraw/zinc/27/73/29/987277329.db2.gz ORGVSWIDQNQURX-GGPKGHCWSA-N 1 2 373.472 2.934 20 30 FFEDLO CC(C)N(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001486375736 987277334 /nfs/dbraw/zinc/27/73/34/987277334.db2.gz ORGVSWIDQNQURX-GGPKGHCWSA-N 1 2 373.472 2.934 20 30 FFEDLO CCC(CC)[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212491785 987722837 /nfs/dbraw/zinc/72/28/37/987722837.db2.gz MFZWQNYWQUTEDL-DUXKGJEZSA-N 1 2 356.510 2.926 20 30 FFEDLO CCC(CC)[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212491785 987722842 /nfs/dbraw/zinc/72/28/42/987722842.db2.gz MFZWQNYWQUTEDL-DUXKGJEZSA-N 1 2 356.510 2.926 20 30 FFEDLO CC(=[NH+]Nc1ccc(S(C)(=O)=O)cc1)c1cccc(N2CCOCC2)c1 ZINC000914835718 987937783 /nfs/dbraw/zinc/93/77/83/987937783.db2.gz NVORORJAXJZBRX-UHFFFAOYSA-N 1 2 373.478 2.763 20 30 FFEDLO NC(=[NH+]OC[C@H]1CC2(CC2)C(=O)O1)c1ccc(OCc2ccccc2)cc1 ZINC000762212846 988213419 /nfs/dbraw/zinc/21/34/19/988213419.db2.gz XFUOFSZDEVWURX-GOSISDBHSA-N 1 2 366.417 2.998 20 30 FFEDLO C=C1CC(C)(C(=O)NC2CCC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001004133305 988598638 /nfs/dbraw/zinc/59/86/38/988598638.db2.gz PUBKUNAJKMPRMS-BHUNQDJPSA-N 1 2 370.497 2.755 20 30 FFEDLO C=C1CC(C)(C(=O)NC2CCC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001004133305 988598643 /nfs/dbraw/zinc/59/86/43/988598643.db2.gz PUBKUNAJKMPRMS-BHUNQDJPSA-N 1 2 370.497 2.755 20 30 FFEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000922601717 988739158 /nfs/dbraw/zinc/73/91/58/988739158.db2.gz AUUMCMTUZWWBBH-RBUKOAKNSA-N 1 2 358.486 2.832 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001007913323 1015419909 /nfs/dbraw/zinc/41/99/09/1015419909.db2.gz PMLPVIHZBORMRV-ZVDOUQERSA-N 1 2 353.466 2.598 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001007913323 1015419915 /nfs/dbraw/zinc/41/99/15/1015419915.db2.gz PMLPVIHZBORMRV-ZVDOUQERSA-N 1 2 353.466 2.598 20 30 FFEDLO C#CC[C@@]1(C(=O)OCc2ccc(N)[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000922736187 988850607 /nfs/dbraw/zinc/85/06/07/988850607.db2.gz GZOSOCDXSOJDSR-IBGZPJMESA-N 1 2 359.426 2.500 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)c1 ZINC001007976885 1015439606 /nfs/dbraw/zinc/43/96/06/1015439606.db2.gz OXXQVPNFVVNMFX-ZNWBIBPKSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)c1 ZINC001007976885 1015439610 /nfs/dbraw/zinc/43/96/10/1015439610.db2.gz OXXQVPNFVVNMFX-ZNWBIBPKSA-N 1 2 371.456 2.593 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008010032 1015458870 /nfs/dbraw/zinc/45/88/70/1015458870.db2.gz QBKJWASKPWXTPS-LMMKCTJWSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008010032 1015458878 /nfs/dbraw/zinc/45/88/78/1015458878.db2.gz QBKJWASKPWXTPS-LMMKCTJWSA-N 1 2 359.445 2.593 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001033838881 989751055 /nfs/dbraw/zinc/75/10/55/989751055.db2.gz UQIXTGOTARDAJD-SCTDSRPQSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001033838881 989751059 /nfs/dbraw/zinc/75/10/59/989751059.db2.gz UQIXTGOTARDAJD-SCTDSRPQSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC001033960754 989874027 /nfs/dbraw/zinc/87/40/27/989874027.db2.gz HWWXWSDVWSHZDI-KSZLIROESA-N 1 2 359.470 2.566 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC001033960754 989874033 /nfs/dbraw/zinc/87/40/33/989874033.db2.gz HWWXWSDVWSHZDI-KSZLIROESA-N 1 2 359.470 2.566 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ccc2F)C[C@@H]1n1ccnn1 ZINC001129210763 990577658 /nfs/dbraw/zinc/57/76/58/990577658.db2.gz WTYOPDKMVOHCKT-MOPGFXCFSA-N 1 2 371.460 2.624 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)ccc2F)C[C@@H]1n1ccnn1 ZINC001129210763 990577660 /nfs/dbraw/zinc/57/76/60/990577660.db2.gz WTYOPDKMVOHCKT-MOPGFXCFSA-N 1 2 371.460 2.624 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000920767130 990917114 /nfs/dbraw/zinc/91/71/14/990917114.db2.gz PIHMNFGSODNTOC-GOSISDBHSA-N 1 2 370.501 2.774 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NC(=O)CCC(=O)CCC(=O)c2ccc(C)s2)C1 ZINC000923589182 991289122 /nfs/dbraw/zinc/28/91/22/991289122.db2.gz NWMSIRZUTKOKMI-INIZCTEOSA-N 1 2 374.506 2.583 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)CCC(=O)CCC(=O)c2ccc(C)s2)C1 ZINC000923589182 991289129 /nfs/dbraw/zinc/28/91/29/991289129.db2.gz NWMSIRZUTKOKMI-INIZCTEOSA-N 1 2 374.506 2.583 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1CC)C1CC[NH+]([C@@H](C)c2nc(CC)no2)CC1 ZINC001483987101 991302632 /nfs/dbraw/zinc/30/26/32/991302632.db2.gz DCQGOMFGJVOOAW-ZMSDIMECSA-N 1 2 358.486 2.665 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cscn1 ZINC001089698973 991422608 /nfs/dbraw/zinc/42/26/08/991422608.db2.gz GWWQVDCOPKYPDK-ZACQAIPSSA-N 1 2 363.527 2.841 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cscn1 ZINC001089698973 991422610 /nfs/dbraw/zinc/42/26/10/991422610.db2.gz GWWQVDCOPKYPDK-ZACQAIPSSA-N 1 2 363.527 2.841 20 30 FFEDLO C#C[C@@H](NC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1)C1CCOCC1 ZINC000879718309 1015654671 /nfs/dbraw/zinc/65/46/71/1015654671.db2.gz FKOGURDQTJIDEG-GOSISDBHSA-N 1 2 352.438 2.851 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CNc1nc(C)[nH+]c2c1CCCC2 ZINC001065014984 991741159 /nfs/dbraw/zinc/74/11/59/991741159.db2.gz CMNACVFZSAIGQT-WDYCEAGBSA-N 1 2 370.497 2.658 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001008598708 1015675129 /nfs/dbraw/zinc/67/51/29/1015675129.db2.gz OOBJALXYCKVQJM-QHAWAJNXSA-N 1 2 360.461 2.838 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001008598708 1015675133 /nfs/dbraw/zinc/67/51/33/1015675133.db2.gz OOBJALXYCKVQJM-QHAWAJNXSA-N 1 2 360.461 2.838 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079581068 992225135 /nfs/dbraw/zinc/22/51/35/992225135.db2.gz CKRMWHBXOVZZPN-IUODEOHRSA-N 1 2 371.510 2.891 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079581068 992225140 /nfs/dbraw/zinc/22/51/40/992225140.db2.gz CKRMWHBXOVZZPN-IUODEOHRSA-N 1 2 371.510 2.891 20 30 FFEDLO CC[C@@H]1c2ccsc2CCN1C(=O)CO[NH+]=C(N)c1ccc(OC)cc1 ZINC000182973464 992331884 /nfs/dbraw/zinc/33/18/84/992331884.db2.gz URVUQFPBWGTZJC-MRXNPFEDSA-N 1 2 373.478 2.930 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cnc2ccccc2n1 ZINC001079853192 992489483 /nfs/dbraw/zinc/48/94/83/992489483.db2.gz JCHPZBMGKKYZPS-QVKFZJNVSA-N 1 2 371.444 2.752 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cnc2ccccc2n1 ZINC001079853192 992489489 /nfs/dbraw/zinc/48/94/89/992489489.db2.gz JCHPZBMGKKYZPS-QVKFZJNVSA-N 1 2 371.444 2.752 20 30 FFEDLO Cc1cc(C)c(C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)[nH]1 ZINC001079970825 992632297 /nfs/dbraw/zinc/63/22/97/992632297.db2.gz PWBNKEIADSYGOK-FZKQIMNGSA-N 1 2 354.429 2.893 20 30 FFEDLO Cc1cc(C)c(C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)[nH]1 ZINC001079970825 992632302 /nfs/dbraw/zinc/63/23/02/992632302.db2.gz PWBNKEIADSYGOK-FZKQIMNGSA-N 1 2 354.429 2.893 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ncc(Cl)s1 ZINC001080123345 992758436 /nfs/dbraw/zinc/75/84/36/992758436.db2.gz SZTRKNUYUHTXGF-BXUZGUMPSA-N 1 2 360.870 2.918 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ncc(Cl)s1 ZINC001080123345 992758440 /nfs/dbraw/zinc/75/84/40/992758440.db2.gz SZTRKNUYUHTXGF-BXUZGUMPSA-N 1 2 360.870 2.918 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCO[C@H](C(F)(F)F)CC3)C2=O)cc1 ZINC000880053481 1015743194 /nfs/dbraw/zinc/74/31/94/1015743194.db2.gz NMWOLNCQQRDWBB-CVEARBPZSA-N 1 2 367.371 2.707 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCO[C@H](C(F)(F)F)CC3)C2=O)cc1 ZINC000880053481 1015743198 /nfs/dbraw/zinc/74/31/98/1015743198.db2.gz NMWOLNCQQRDWBB-CVEARBPZSA-N 1 2 367.371 2.707 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1nc(Cl)cs1 ZINC001080328627 992938603 /nfs/dbraw/zinc/93/86/03/992938603.db2.gz VISVXAIDDMVWCY-UKRRQHHQSA-N 1 2 359.882 2.898 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1nc(Cl)cs1 ZINC001080328627 992938614 /nfs/dbraw/zinc/93/86/14/992938614.db2.gz VISVXAIDDMVWCY-UKRRQHHQSA-N 1 2 359.882 2.898 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3nc(-c4ccoc4)no3)C[C@H]2C)C1 ZINC001080404335 993032448 /nfs/dbraw/zinc/03/24/48/993032448.db2.gz CSVOTYXJBHLEMT-UKRRQHHQSA-N 1 2 356.426 2.622 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3nc(-c4ccoc4)no3)C[C@H]2C)C1 ZINC001080404335 993032457 /nfs/dbraw/zinc/03/24/57/993032457.db2.gz CSVOTYXJBHLEMT-UKRRQHHQSA-N 1 2 356.426 2.622 20 30 FFEDLO CC(C)c1nnsc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001080655952 993251143 /nfs/dbraw/zinc/25/11/43/993251143.db2.gz KXTMMFWEFQDSMF-NVXWUHKLSA-N 1 2 368.506 2.763 20 30 FFEDLO CC(C)c1nnsc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001080655952 993251147 /nfs/dbraw/zinc/25/11/47/993251147.db2.gz KXTMMFWEFQDSMF-NVXWUHKLSA-N 1 2 368.506 2.763 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(F)c(NC(C)=O)c2)C1 ZINC001081026098 993554686 /nfs/dbraw/zinc/55/46/86/993554686.db2.gz NITCNNVDASXABO-QLJPJBMISA-N 1 2 353.825 2.587 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(F)c(NC(C)=O)c2)C1 ZINC001081026098 993554691 /nfs/dbraw/zinc/55/46/91/993554691.db2.gz NITCNNVDASXABO-QLJPJBMISA-N 1 2 353.825 2.587 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1ccc(C)s1 ZINC001081292861 993789498 /nfs/dbraw/zinc/78/94/98/993789498.db2.gz USCOFUBNMQBSLC-IAGOWNOFSA-N 1 2 355.463 2.557 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1ccc(C)s1 ZINC001081292861 993789506 /nfs/dbraw/zinc/78/95/06/993789506.db2.gz USCOFUBNMQBSLC-IAGOWNOFSA-N 1 2 355.463 2.557 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)C1CC(C)C1 ZINC001081515061 993863884 /nfs/dbraw/zinc/86/38/84/993863884.db2.gz CCXMBGIZLKAASL-IZVXFFJCSA-N 1 2 360.885 2.553 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)C1CC(C)C1 ZINC001081515061 993863891 /nfs/dbraw/zinc/86/38/91/993863891.db2.gz CCXMBGIZLKAASL-IZVXFFJCSA-N 1 2 360.885 2.553 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CCCC12CC2 ZINC001081850409 994018712 /nfs/dbraw/zinc/01/87/12/994018712.db2.gz HSMDIGHHIXOWKV-GVDBMIGSSA-N 1 2 359.495 2.515 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CCCC12CC2 ZINC001081850409 994018719 /nfs/dbraw/zinc/01/87/19/994018719.db2.gz HSMDIGHHIXOWKV-GVDBMIGSSA-N 1 2 359.495 2.515 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CCCC1(C)C ZINC001082036180 994132289 /nfs/dbraw/zinc/13/22/89/994132289.db2.gz DGROXUQAFFNAFA-GVDBMIGSSA-N 1 2 361.511 2.761 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CCCC1(C)C ZINC001082036180 994132294 /nfs/dbraw/zinc/13/22/94/994132294.db2.gz DGROXUQAFFNAFA-GVDBMIGSSA-N 1 2 361.511 2.761 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H](C)c1cccs1 ZINC001082126366 994181190 /nfs/dbraw/zinc/18/11/90/994181190.db2.gz DLWOCTRFZXPLKQ-ZTFGCOKTSA-N 1 2 369.490 2.739 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H](C)c1cccs1 ZINC001082126366 994181196 /nfs/dbraw/zinc/18/11/96/994181196.db2.gz DLWOCTRFZXPLKQ-ZTFGCOKTSA-N 1 2 369.490 2.739 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001082152466 994211185 /nfs/dbraw/zinc/21/11/85/994211185.db2.gz NIVJLRMHOVAHOU-XRXFAXGQSA-N 1 2 354.494 2.536 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001082152466 994211196 /nfs/dbraw/zinc/21/11/96/994211196.db2.gz NIVJLRMHOVAHOU-XRXFAXGQSA-N 1 2 354.494 2.536 20 30 FFEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082524528 994821848 /nfs/dbraw/zinc/82/18/48/994821848.db2.gz ZQOLCIHGBBOTHQ-FZQKWOKYSA-N 1 2 361.314 2.534 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082524528 994821853 /nfs/dbraw/zinc/82/18/53/994821853.db2.gz ZQOLCIHGBBOTHQ-FZQKWOKYSA-N 1 2 361.314 2.534 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2nc(C(C)C)no2)C1 ZINC001082560848 994938701 /nfs/dbraw/zinc/93/87/01/994938701.db2.gz ZNIFBXSFCDMJRQ-BZUAXINKSA-N 1 2 371.485 2.992 20 30 FFEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 ZINC000880651502 1015921313 /nfs/dbraw/zinc/92/13/13/1015921313.db2.gz PBPRIWMODWEDHM-UHFFFAOYSA-N 1 2 363.425 2.554 20 30 FFEDLO C#Cc1cncc(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)c1 ZINC001133233817 995399301 /nfs/dbraw/zinc/39/93/01/995399301.db2.gz XXFGPWKDSQQQJR-UHFFFAOYSA-N 1 2 356.429 2.895 20 30 FFEDLO C#C[C@H](NC(=O)NCCc1cn2cccc(C)c2[nH+]1)c1ccc(F)cc1 ZINC000812892455 995571653 /nfs/dbraw/zinc/57/16/53/995571653.db2.gz QNSUQCHJXOBQKW-SFHVURJKSA-N 1 2 350.397 2.998 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1C[C@H]2OCCN(C(=O)C=C3CCCCC3)[C@H]2C1 ZINC001083017540 996013723 /nfs/dbraw/zinc/01/37/23/996013723.db2.gz CNKJHMLLOVIFPY-LEWJYISDSA-N 1 2 365.477 2.860 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1C[C@H]2OCCN(C(=O)C=C3CCCCC3)[C@H]2C1 ZINC001083017540 996013724 /nfs/dbraw/zinc/01/37/24/996013724.db2.gz CNKJHMLLOVIFPY-LEWJYISDSA-N 1 2 365.477 2.860 20 30 FFEDLO C[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC001083075194 996028851 /nfs/dbraw/zinc/02/88/51/996028851.db2.gz JBHGNXRSZDJPCZ-MDASCCDHSA-N 1 2 358.869 2.726 20 30 FFEDLO C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC001083075194 996028855 /nfs/dbraw/zinc/02/88/55/996028855.db2.gz JBHGNXRSZDJPCZ-MDASCCDHSA-N 1 2 358.869 2.726 20 30 FFEDLO O=C(C1=CCCCCC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083061357 996055089 /nfs/dbraw/zinc/05/50/89/996055089.db2.gz WNOXQBOUQIJKMZ-FCHUYYIVSA-N 1 2 364.489 2.840 20 30 FFEDLO O=C(C1=CCCCCC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083061357 996055095 /nfs/dbraw/zinc/05/50/95/996055095.db2.gz WNOXQBOUQIJKMZ-FCHUYYIVSA-N 1 2 364.489 2.840 20 30 FFEDLO CC1(C)CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083167654 996130979 /nfs/dbraw/zinc/13/09/79/996130979.db2.gz WKZDTMQLTUUEOJ-PCCBWWKXSA-N 1 2 366.505 2.776 20 30 FFEDLO CC1(C)CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083167654 996130981 /nfs/dbraw/zinc/13/09/81/996130981.db2.gz WKZDTMQLTUUEOJ-PCCBWWKXSA-N 1 2 366.505 2.776 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1coc(C)n1 ZINC001049488691 1016018687 /nfs/dbraw/zinc/01/86/87/1016018687.db2.gz ZXTSJTCKLDAKAS-HCXYKTFWSA-N 1 2 359.470 2.530 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1coc(C)n1 ZINC001049488691 1016018699 /nfs/dbraw/zinc/01/86/99/1016018699.db2.gz ZXTSJTCKLDAKAS-HCXYKTFWSA-N 1 2 359.470 2.530 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)o1 ZINC001084171571 996302213 /nfs/dbraw/zinc/30/22/13/996302213.db2.gz JOSCZJIMZAWREJ-CRAIPNDOSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)o1 ZINC001084171571 996302214 /nfs/dbraw/zinc/30/22/14/996302214.db2.gz JOSCZJIMZAWREJ-CRAIPNDOSA-N 1 2 353.397 2.945 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)CC(F)(F)F)[C@@H]3C2)c1 ZINC001084216361 996365619 /nfs/dbraw/zinc/36/56/19/996365619.db2.gz GKYVMTCAGNPPOS-IUODEOHRSA-N 1 2 355.335 2.682 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)CC(F)(F)F)[C@@H]3C2)c1 ZINC001084216361 996365622 /nfs/dbraw/zinc/36/56/22/996365622.db2.gz GKYVMTCAGNPPOS-IUODEOHRSA-N 1 2 355.335 2.682 20 30 FFEDLO O=C(c1cocn1)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084231095 996381095 /nfs/dbraw/zinc/38/10/95/996381095.db2.gz SOGZQYPQTXCKJB-CRAIPNDOSA-N 1 2 355.825 2.526 20 30 FFEDLO O=C(c1cocn1)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084231095 996381103 /nfs/dbraw/zinc/38/11/03/996381103.db2.gz SOGZQYPQTXCKJB-CRAIPNDOSA-N 1 2 355.825 2.526 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(Cl)cc4)C[C@H]32)c[nH]1 ZINC001084233831 996384201 /nfs/dbraw/zinc/38/42/01/996384201.db2.gz SDZQQGPBWOAJEM-VQIMIIECSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(Cl)cc4)C[C@H]32)c[nH]1 ZINC001084233831 996384205 /nfs/dbraw/zinc/38/42/05/996384205.db2.gz SDZQQGPBWOAJEM-VQIMIIECSA-N 1 2 368.868 2.570 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@@H+](Cc4sccc4Cl)C[C@H]32)c1 ZINC001084261336 996406421 /nfs/dbraw/zinc/40/64/21/996406421.db2.gz FQJVKCZXRKGVCL-IUODEOHRSA-N 1 2 360.870 2.948 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@H+](Cc4sccc4Cl)C[C@H]32)c1 ZINC001084261336 996406425 /nfs/dbraw/zinc/40/64/25/996406425.db2.gz FQJVKCZXRKGVCL-IUODEOHRSA-N 1 2 360.870 2.948 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)ns1 ZINC001084308120 996439754 /nfs/dbraw/zinc/43/97/54/996439754.db2.gz FYNGXNLOHIIWRW-CRAIPNDOSA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)ns1 ZINC001084308120 996439756 /nfs/dbraw/zinc/43/97/56/996439756.db2.gz FYNGXNLOHIIWRW-CRAIPNDOSA-N 1 2 370.453 2.809 20 30 FFEDLO CO[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21)C1CCC1 ZINC001084552825 996671768 /nfs/dbraw/zinc/67/17/68/996671768.db2.gz QYRUMKXDMMNLHQ-MISYRCLQSA-N 1 2 371.456 2.545 20 30 FFEDLO CO[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21)C1CCC1 ZINC001084552825 996671772 /nfs/dbraw/zinc/67/17/72/996671772.db2.gz QYRUMKXDMMNLHQ-MISYRCLQSA-N 1 2 371.456 2.545 20 30 FFEDLO COc1csc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)c1 ZINC001084569612 996682888 /nfs/dbraw/zinc/68/28/88/996682888.db2.gz BJORPRFDTVVHBI-SJLPKXTDSA-N 1 2 367.474 2.975 20 30 FFEDLO COc1csc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)c1 ZINC001084569612 996682891 /nfs/dbraw/zinc/68/28/91/996682891.db2.gz BJORPRFDTVVHBI-SJLPKXTDSA-N 1 2 367.474 2.975 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)c3ccccc3)C[C@H]21 ZINC001084574601 996703197 /nfs/dbraw/zinc/70/31/97/996703197.db2.gz FBIKCNHOKNMGJO-YQVWRLOYSA-N 1 2 369.509 2.783 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)N(C)c3ccccc3)C[C@H]21 ZINC001084574601 996703199 /nfs/dbraw/zinc/70/31/99/996703199.db2.gz FBIKCNHOKNMGJO-YQVWRLOYSA-N 1 2 369.509 2.783 20 30 FFEDLO Cc1c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)ccn1C ZINC001084641864 996754626 /nfs/dbraw/zinc/75/46/26/996754626.db2.gz XUCPHPWBZCLDBT-YLJYHZDGSA-N 1 2 366.440 2.691 20 30 FFEDLO Cc1c(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)ccn1C ZINC001084641864 996754631 /nfs/dbraw/zinc/75/46/31/996754631.db2.gz XUCPHPWBZCLDBT-YLJYHZDGSA-N 1 2 366.440 2.691 20 30 FFEDLO Cc1cc(F)c(C#N)cc1NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000880992287 1016066529 /nfs/dbraw/zinc/06/65/29/1016066529.db2.gz GNZOUJPKMMOIHQ-INIZCTEOSA-N 1 2 360.433 2.724 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cnc3cc(C)ccn13)CC2 ZINC001136888220 996983645 /nfs/dbraw/zinc/98/36/45/996983645.db2.gz WGYOCTNAPBHCLN-UHFFFAOYSA-N 1 2 351.454 2.637 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cnc3cc(C)ccn13)CC2 ZINC001136888220 996983657 /nfs/dbraw/zinc/98/36/57/996983657.db2.gz WGYOCTNAPBHCLN-UHFFFAOYSA-N 1 2 351.454 2.637 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c(C)noc3C)[C@@H]2C1 ZINC001084706534 996994213 /nfs/dbraw/zinc/99/42/13/996994213.db2.gz CTJSBOFHXDPUMR-UXEPBGEESA-N 1 2 351.878 2.755 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c(C)noc3C)[C@@H]2C1 ZINC001084706534 996994222 /nfs/dbraw/zinc/99/42/22/996994222.db2.gz CTJSBOFHXDPUMR-UXEPBGEESA-N 1 2 351.878 2.755 20 30 FFEDLO O=C(c1coc(C2CC2)n1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084705779 997013005 /nfs/dbraw/zinc/01/30/05/997013005.db2.gz PESWMOXSBINLLT-UYAOXDASSA-N 1 2 361.445 2.750 20 30 FFEDLO O=C(c1coc(C2CC2)n1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084705779 997013014 /nfs/dbraw/zinc/01/30/14/997013014.db2.gz PESWMOXSBINLLT-UYAOXDASSA-N 1 2 361.445 2.750 20 30 FFEDLO CC1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)CCOCC1 ZINC001084722843 997063922 /nfs/dbraw/zinc/06/39/22/997063922.db2.gz GRJUXJAXRKWYBL-IEBWSBKVSA-N 1 2 371.456 2.547 20 30 FFEDLO CC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)CCOCC1 ZINC001084722843 997063929 /nfs/dbraw/zinc/06/39/29/997063929.db2.gz GRJUXJAXRKWYBL-IEBWSBKVSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CCn4cccc4)[C@@H]3C2)c(F)c1 ZINC001084740424 997148899 /nfs/dbraw/zinc/14/88/99/997148899.db2.gz JRVSCOBCZNBNFL-UYAOXDASSA-N 1 2 366.440 2.622 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCn4cccc4)[C@@H]3C2)c(F)c1 ZINC001084740424 997148911 /nfs/dbraw/zinc/14/89/11/997148911.db2.gz JRVSCOBCZNBNFL-UYAOXDASSA-N 1 2 366.440 2.622 20 30 FFEDLO CCCc1nc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)co1 ZINC001084773551 997297063 /nfs/dbraw/zinc/29/70/63/997297063.db2.gz UGIGNKPSRNKNIG-IEBWSBKVSA-N 1 2 364.449 2.845 20 30 FFEDLO CCCc1nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)co1 ZINC001084773551 997297074 /nfs/dbraw/zinc/29/70/74/997297074.db2.gz UGIGNKPSRNKNIG-IEBWSBKVSA-N 1 2 364.449 2.845 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2F)C[C@H]1NC(=O)CSCC#N ZINC001206090525 1032139644 /nfs/dbraw/zinc/13/96/44/1032139644.db2.gz YYCQHTUYCVLELN-IAQYHMDHSA-N 1 2 355.866 2.672 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2F)C[C@H]1NC(=O)CSCC#N ZINC001206090525 1032139647 /nfs/dbraw/zinc/13/96/47/1032139647.db2.gz YYCQHTUYCVLELN-IAQYHMDHSA-N 1 2 355.866 2.672 20 30 FFEDLO COCCN1C(=O)CCC12CC[NH+](Cc1c(Cl)cccc1C#N)CC2 ZINC001143722680 997600579 /nfs/dbraw/zinc/60/05/79/997600579.db2.gz FRJIRFBBUNHWBY-UHFFFAOYSA-N 1 2 361.873 2.815 20 30 FFEDLO N#Cc1cccc(Cl)c1C[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NC2CCC2)C1 ZINC001143725272 997602627 /nfs/dbraw/zinc/60/26/27/997602627.db2.gz XJUVOMRLJIJOJP-VDZJLULYSA-N 1 2 373.884 2.717 20 30 FFEDLO N#Cc1cccc(Cl)c1C[N@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NC2CCC2)C1 ZINC001143725272 997602634 /nfs/dbraw/zinc/60/26/34/997602634.db2.gz XJUVOMRLJIJOJP-VDZJLULYSA-N 1 2 373.884 2.717 20 30 FFEDLO Cc1nc[nH]c1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084872131 997746441 /nfs/dbraw/zinc/74/64/41/997746441.db2.gz WVDCOJSFZMTDBL-SJLPKXTDSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1nc[nH]c1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084872131 997746452 /nfs/dbraw/zinc/74/64/52/997746452.db2.gz WVDCOJSFZMTDBL-SJLPKXTDSA-N 1 2 368.868 2.570 20 30 FFEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)C[C@H](C)n2cc[nH+]c2)ccc1OC ZINC000844385530 997849510 /nfs/dbraw/zinc/84/95/10/997849510.db2.gz NEADMMVCNHPDGZ-HOCLYGCPSA-N 1 2 356.426 2.840 20 30 FFEDLO C[C@@H]1CN(c2ccccc2C=[NH+]Nc2ccccc2S(C)(=O)=O)CCO1 ZINC000731933743 998360265 /nfs/dbraw/zinc/36/02/65/998360265.db2.gz QZYYARNUPDMRAP-OAHLLOKOSA-N 1 2 373.478 2.761 20 30 FFEDLO CNc1cnc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)cc1C(=O)OC ZINC001171177403 998504575 /nfs/dbraw/zinc/50/45/75/998504575.db2.gz SROCJWZHTNYQCT-UHFFFAOYSA-N 1 2 350.378 2.806 20 30 FFEDLO Cc1cc[n+](C(C(=S)NC2CC2)C(=O)C2C=CC(=NC(N)=O)C=C2)cc1 ZINC000732178125 998526865 /nfs/dbraw/zinc/52/68/65/998526865.db2.gz XXBOHGPLHGAVFR-UHFFFAOYSA-O 1 2 369.470 2.548 20 30 FFEDLO N#Cc1ccc(CNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)c(F)c1 ZINC001144520554 998618278 /nfs/dbraw/zinc/61/82/78/998618278.db2.gz WVRYIJDRIWLLBC-UHFFFAOYSA-N 1 2 363.396 2.936 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001085024169 998701054 /nfs/dbraw/zinc/70/10/54/998701054.db2.gz ZUQZADSXDOJFFZ-PTSWNOGYSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001085024169 998701059 /nfs/dbraw/zinc/70/10/59/998701059.db2.gz ZUQZADSXDOJFFZ-PTSWNOGYSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1oc(CC)nc1C ZINC001085601241 999584116 /nfs/dbraw/zinc/58/41/16/999584116.db2.gz RACNNDKNMRVJGP-ZACQAIPSSA-N 1 2 361.486 2.559 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1oc(CC)nc1C ZINC001085601241 999584120 /nfs/dbraw/zinc/58/41/20/999584120.db2.gz RACNNDKNMRVJGP-ZACQAIPSSA-N 1 2 361.486 2.559 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC001085599995 999586338 /nfs/dbraw/zinc/58/63/38/999586338.db2.gz HJLYWNQWFAUQKO-QRVBRYPASA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(F)cc(F)c1 ZINC001085599995 999586341 /nfs/dbraw/zinc/58/63/41/999586341.db2.gz HJLYWNQWFAUQKO-QRVBRYPASA-N 1 2 364.436 2.979 20 30 FFEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719589 999614557 /nfs/dbraw/zinc/61/45/57/999614557.db2.gz XZPHTFUYACITRH-DSKINZAPSA-N 1 2 371.456 2.689 20 30 FFEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719589 999614559 /nfs/dbraw/zinc/61/45/59/999614559.db2.gz XZPHTFUYACITRH-DSKINZAPSA-N 1 2 371.456 2.689 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085869349 999666586 /nfs/dbraw/zinc/66/65/86/999666586.db2.gz OEHPVKXXUHILHL-HKBOAZHASA-N 1 2 352.478 2.552 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085869349 999666587 /nfs/dbraw/zinc/66/65/87/999666587.db2.gz OEHPVKXXUHILHL-HKBOAZHASA-N 1 2 352.478 2.552 20 30 FFEDLO N#Cc1cccc(COC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741357371 999722211 /nfs/dbraw/zinc/72/22/11/999722211.db2.gz UNZQCBCBBUDPFT-HXUWFJFHSA-N 1 2 350.418 2.893 20 30 FFEDLO N#Cc1cccc(COC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741357371 999722212 /nfs/dbraw/zinc/72/22/12/999722212.db2.gz UNZQCBCBBUDPFT-HXUWFJFHSA-N 1 2 350.418 2.893 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741356572 999723887 /nfs/dbraw/zinc/72/38/87/999723887.db2.gz YEETXLVBHWVLPQ-HKUYNNGSSA-N 1 2 371.481 2.592 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741356572 999723890 /nfs/dbraw/zinc/72/38/90/999723890.db2.gz YEETXLVBHWVLPQ-HKUYNNGSSA-N 1 2 371.481 2.592 20 30 FFEDLO C#CCOc1ccc(F)cc1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000743200426 999805885 /nfs/dbraw/zinc/80/58/85/999805885.db2.gz CWMULRLBZSSJFT-UHFFFAOYSA-N 1 2 353.397 2.975 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001066450959 999817814 /nfs/dbraw/zinc/81/78/14/999817814.db2.gz JBFYGQFWHLCNKK-TVFCKZIOSA-N 1 2 358.486 2.853 20 30 FFEDLO N#C[C@H](C(=O)C[NH+]1C2CCCC1CCC2)c1nc2ccccc2c(=O)[nH]1 ZINC000744406005 999855700 /nfs/dbraw/zinc/85/57/00/999855700.db2.gz BTLLICBAERKDSC-ZBCRRDGASA-N 1 2 350.422 2.919 20 30 FFEDLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000745083599 999894314 /nfs/dbraw/zinc/89/43/14/999894314.db2.gz CQKZMCIHBVKPTR-ASPXRTSYSA-N 1 2 363.502 2.723 20 30 FFEDLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000745083599 999894315 /nfs/dbraw/zinc/89/43/15/999894315.db2.gz CQKZMCIHBVKPTR-ASPXRTSYSA-N 1 2 363.502 2.723 20 30 FFEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000745083600 999894370 /nfs/dbraw/zinc/89/43/70/999894370.db2.gz CQKZMCIHBVKPTR-MUZJZNNISA-N 1 2 363.502 2.723 20 30 FFEDLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000745083600 999894371 /nfs/dbraw/zinc/89/43/71/999894371.db2.gz CQKZMCIHBVKPTR-MUZJZNNISA-N 1 2 363.502 2.723 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001108272281 999898903 /nfs/dbraw/zinc/89/89/03/999898903.db2.gz CTHUHTXMADUDEO-NSHGMRRFSA-N 1 2 360.885 2.674 20 30 FFEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001108272281 999898905 /nfs/dbraw/zinc/89/89/05/999898905.db2.gz CTHUHTXMADUDEO-NSHGMRRFSA-N 1 2 360.885 2.674 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001049975960 1016368352 /nfs/dbraw/zinc/36/83/52/1016368352.db2.gz ASVQIJHMYQDSNR-KSZLIROESA-N 1 2 358.486 2.949 20 30 FFEDLO C#CC[N@@H+](CC)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000746457970 999994083 /nfs/dbraw/zinc/99/40/83/999994083.db2.gz XFGKIICCFSLVFW-HXUWFJFHSA-N 1 2 350.418 2.728 20 30 FFEDLO C#CC[N@H+](CC)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000746457970 999994084 /nfs/dbraw/zinc/99/40/84/999994084.db2.gz XFGKIICCFSLVFW-HXUWFJFHSA-N 1 2 350.418 2.728 20 30 FFEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NC2COC(C)(C)OC2)[nH+]1 ZINC001168904937 1000007828 /nfs/dbraw/zinc/00/78/28/1000007828.db2.gz OYSPSTOUIXCQPJ-CIOPSUNISA-N 1 2 353.488 2.835 20 30 FFEDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766611700 1000028765 /nfs/dbraw/zinc/02/87/65/1000028765.db2.gz HINVGXJQVUETOR-UHFFFAOYSA-N 1 2 366.421 2.985 20 30 FFEDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766611700 1000028766 /nfs/dbraw/zinc/02/87/66/1000028766.db2.gz HINVGXJQVUETOR-UHFFFAOYSA-N 1 2 366.421 2.985 20 30 FFEDLO N#Cc1c2c(cn(C[NH+]3CCC4(CC3)OCc3ccccc34)c1=O)CCC2 ZINC000766634716 1000033852 /nfs/dbraw/zinc/03/38/52/1000033852.db2.gz YKJDJOGMOCAQKK-UHFFFAOYSA-N 1 2 361.445 2.688 20 30 FFEDLO CC(C)C(=O)NCC[N@H+](C)CC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000767767072 1000143407 /nfs/dbraw/zinc/14/34/07/1000143407.db2.gz AWCFYIPMBDURDY-UYRXBGFRSA-N 1 2 357.498 2.571 20 30 FFEDLO CC(C)C(=O)NCC[N@@H+](C)CC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000767767072 1000143408 /nfs/dbraw/zinc/14/34/08/1000143408.db2.gz AWCFYIPMBDURDY-UYRXBGFRSA-N 1 2 357.498 2.571 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(C(F)(F)F)nc1 ZINC001109055226 1000160284 /nfs/dbraw/zinc/16/02/84/1000160284.db2.gz UCYISZGMELUVCO-RDBSUJKOSA-N 1 2 354.376 2.683 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(C(F)(F)F)nc1 ZINC001109055226 1000160287 /nfs/dbraw/zinc/16/02/87/1000160287.db2.gz UCYISZGMELUVCO-RDBSUJKOSA-N 1 2 354.376 2.683 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(-c2ccc(F)cc2)o1 ZINC001109090462 1000166831 /nfs/dbraw/zinc/16/68/31/1000166831.db2.gz TZYGPEQTWOZKRW-IEAZIUSSSA-N 1 2 368.412 2.862 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(-c2ccc(F)cc2)o1 ZINC001109090462 1000166832 /nfs/dbraw/zinc/16/68/32/1000166832.db2.gz TZYGPEQTWOZKRW-IEAZIUSSSA-N 1 2 368.412 2.862 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)s1 ZINC001109120186 1000169883 /nfs/dbraw/zinc/16/98/83/1000169883.db2.gz GXAUHCPJKZRGKH-IKGGRYGDSA-N 1 2 363.527 2.964 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)s1 ZINC001109120186 1000169884 /nfs/dbraw/zinc/16/98/84/1000169884.db2.gz GXAUHCPJKZRGKH-IKGGRYGDSA-N 1 2 363.527 2.964 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cccc(C)c1 ZINC001109166016 1000178496 /nfs/dbraw/zinc/17/84/96/1000178496.db2.gz CGGOTTNLDBDVPN-AABGKKOBSA-N 1 2 367.493 2.849 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cccc(C)c1 ZINC001109166016 1000178498 /nfs/dbraw/zinc/17/84/98/1000178498.db2.gz CGGOTTNLDBDVPN-AABGKKOBSA-N 1 2 367.493 2.849 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1 ZINC001109166367 1000178564 /nfs/dbraw/zinc/17/85/64/1000178564.db2.gz ONBSAWNJVFZYQD-QYZOEREBSA-N 1 2 353.466 2.540 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1 ZINC001109166367 1000178565 /nfs/dbraw/zinc/17/85/65/1000178565.db2.gz ONBSAWNJVFZYQD-QYZOEREBSA-N 1 2 353.466 2.540 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1CC ZINC001109206217 1000186161 /nfs/dbraw/zinc/18/61/61/1000186161.db2.gz MFDBFBDQEUTGOM-HOJAQTOUSA-N 1 2 367.493 2.713 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1CC ZINC001109206217 1000186163 /nfs/dbraw/zinc/18/61/63/1000186163.db2.gz MFDBFBDQEUTGOM-HOJAQTOUSA-N 1 2 367.493 2.713 20 30 FFEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(Cl)cc2c1OCC2 ZINC001109257876 1000203814 /nfs/dbraw/zinc/20/38/14/1000203814.db2.gz QNJRZSPDUGGEKR-QYZOEREBSA-N 1 2 370.880 2.910 20 30 FFEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(Cl)cc2c1OCC2 ZINC001109257876 1000203817 /nfs/dbraw/zinc/20/38/17/1000203817.db2.gz QNJRZSPDUGGEKR-QYZOEREBSA-N 1 2 370.880 2.910 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nsc2ccccc12 ZINC001109267432 1000209245 /nfs/dbraw/zinc/20/92/45/1000209245.db2.gz PEJIVOUBIQYWEY-DEICHXMPSA-N 1 2 369.490 2.556 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nsc2ccccc12 ZINC001109267432 1000209251 /nfs/dbraw/zinc/20/92/51/1000209251.db2.gz PEJIVOUBIQYWEY-DEICHXMPSA-N 1 2 369.490 2.556 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)c1ccco1 ZINC001109343241 1000290345 /nfs/dbraw/zinc/29/03/45/1000290345.db2.gz PFYWDAHZUMATJQ-YVSFHVDLSA-N 1 2 373.497 2.781 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)c1ccco1 ZINC001109343241 1000290350 /nfs/dbraw/zinc/29/03/50/1000290350.db2.gz PFYWDAHZUMATJQ-YVSFHVDLSA-N 1 2 373.497 2.781 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccc(C)cc1 ZINC001109355001 1000300018 /nfs/dbraw/zinc/30/00/18/1000300018.db2.gz GWTKCAYQUAKTAF-AABGKKOBSA-N 1 2 369.509 2.689 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccc(C)cc1 ZINC001109355001 1000300022 /nfs/dbraw/zinc/30/00/22/1000300022.db2.gz GWTKCAYQUAKTAF-AABGKKOBSA-N 1 2 369.509 2.689 20 30 FFEDLO Cc1nc(N[C@@H]2CCCC[C@H]2NC(=O)C#CC2CC2)c2c([nH+]1)CCCC2 ZINC001091254393 1000339177 /nfs/dbraw/zinc/33/91/77/1000339177.db2.gz MXYVJJLOWRTHCT-RTBURBONSA-N 1 2 352.482 2.917 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)[nH+]c2c1CCCC2 ZINC001091281172 1000365808 /nfs/dbraw/zinc/36/58/08/1000365808.db2.gz CGNSZDKQCMWKTR-RTBURBONSA-N 1 2 370.497 2.543 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001091289552 1000376157 /nfs/dbraw/zinc/37/61/57/1000376157.db2.gz CJSWAOPCRHHGRG-FVQBIDKESA-N 1 2 356.474 2.805 20 30 FFEDLO NC(=O)c1ccc(C(=[NH2+])Nc2cncc(-c3nc4ccccc4[nH]3)c2)cc1 ZINC001171256581 1000465081 /nfs/dbraw/zinc/46/50/81/1000465081.db2.gz KSIWPZXJENUFPD-UHFFFAOYSA-N 1 2 356.389 2.761 20 30 FFEDLO COCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001109524342 1000593054 /nfs/dbraw/zinc/59/30/54/1000593054.db2.gz MVIVVAFZPDCCRI-QYZOEREBSA-N 1 2 358.457 2.571 20 30 FFEDLO COCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001109524342 1000593059 /nfs/dbraw/zinc/59/30/59/1000593059.db2.gz MVIVVAFZPDCCRI-QYZOEREBSA-N 1 2 358.457 2.571 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001109601613 1000695770 /nfs/dbraw/zinc/69/57/70/1000695770.db2.gz HUPSEBAMWQOAGQ-SQNIBIBYSA-N 1 2 355.482 2.583 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001109601613 1000695776 /nfs/dbraw/zinc/69/57/76/1000695776.db2.gz HUPSEBAMWQOAGQ-SQNIBIBYSA-N 1 2 355.482 2.583 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(c2ccccc2)C1=O ZINC001109605650 1000716232 /nfs/dbraw/zinc/71/62/32/1000716232.db2.gz LMHBACRYMHZYBR-YDZRNGNQSA-N 1 2 367.493 2.726 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(c2ccccc2)C1=O ZINC001109605650 1000716239 /nfs/dbraw/zinc/71/62/39/1000716239.db2.gz LMHBACRYMHZYBR-YDZRNGNQSA-N 1 2 367.493 2.726 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(C)cc1 ZINC001109627573 1000741529 /nfs/dbraw/zinc/74/15/29/1000741529.db2.gz XWFLDQLTDWQMTK-AABGKKOBSA-N 1 2 367.493 2.849 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(C)cc1 ZINC001109627573 1000741537 /nfs/dbraw/zinc/74/15/37/1000741537.db2.gz XWFLDQLTDWQMTK-AABGKKOBSA-N 1 2 367.493 2.849 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)CC)CCC1 ZINC001109683503 1000839597 /nfs/dbraw/zinc/83/95/97/1000839597.db2.gz OIJAZKJPISJVJH-IKGGRYGDSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)CC)CCC1 ZINC001109683503 1000839609 /nfs/dbraw/zinc/83/96/09/1000839609.db2.gz OIJAZKJPISJVJH-IKGGRYGDSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CC[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091626100 1000856736 /nfs/dbraw/zinc/85/67/36/1000856736.db2.gz ATVUJJQNZWJRMQ-OWCLPIDISA-N 1 2 360.506 2.545 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[C@@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001091632265 1000894770 /nfs/dbraw/zinc/89/47/70/1000894770.db2.gz NAYBIFNMFJKISV-MRUHUIDDSA-N 1 2 371.529 2.764 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[C@@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001091632265 1000894775 /nfs/dbraw/zinc/89/47/75/1000894775.db2.gz NAYBIFNMFJKISV-MRUHUIDDSA-N 1 2 371.529 2.764 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](CNc1cccc(F)c1C#N)C1CC1 ZINC001109984462 1001242671 /nfs/dbraw/zinc/24/26/71/1001242671.db2.gz PRESXAASVNXAPU-HBUWYVDXSA-N 1 2 367.428 2.541 20 30 FFEDLO N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1Cl ZINC001110305356 1001900596 /nfs/dbraw/zinc/90/05/96/1001900596.db2.gz RITXYKCDRXXVND-BMFZPTHFSA-N 1 2 367.877 2.957 20 30 FFEDLO N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1Cl ZINC001110305356 1001900601 /nfs/dbraw/zinc/90/06/01/1001900601.db2.gz RITXYKCDRXXVND-BMFZPTHFSA-N 1 2 367.877 2.957 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CCN1c1nc(C)ccc1C#N ZINC001091828448 1001978820 /nfs/dbraw/zinc/97/88/20/1001978820.db2.gz BOSHLPGRYMUOOM-RYQLBKOJSA-N 1 2 366.469 2.583 20 30 FFEDLO CCCCc1ccc(C[NH+]2CC3(C2)COCC(=O)N3CCCC#N)s1 ZINC001276220478 1016559375 /nfs/dbraw/zinc/55/93/75/1016559375.db2.gz RHXSDPZWQNGNNN-UHFFFAOYSA-N 1 2 361.511 2.808 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(C(C)(C)C)no3)C[C@@]2(C)C1 ZINC001091916879 1002066958 /nfs/dbraw/zinc/06/69/58/1002066958.db2.gz OOZFXVGIJQABAS-VLIAUNLRSA-N 1 2 360.502 2.860 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nc(C(C)(C)C)no3)C[C@@]2(C)C1 ZINC001091916879 1002066968 /nfs/dbraw/zinc/06/69/68/1002066968.db2.gz OOZFXVGIJQABAS-VLIAUNLRSA-N 1 2 360.502 2.860 20 30 FFEDLO Cc1cc(N(C(N)=[NH2+])C(=O)C[C@H](C#N)c2c(Cl)cccc2Cl)n[nH]1 ZINC001183132034 1002159738 /nfs/dbraw/zinc/15/97/38/1002159738.db2.gz HAWZXEAFBOMEQM-SECBINFHSA-N 1 2 365.224 2.949 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COC2CCCC2)C3)c1 ZINC001110330282 1002202482 /nfs/dbraw/zinc/20/24/82/1002202482.db2.gz VTGZWCLSJRGASI-AHRSYUTCSA-N 1 2 371.456 2.878 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COC2CCCC2)C3)c1 ZINC001110330282 1002202488 /nfs/dbraw/zinc/20/24/88/1002202488.db2.gz VTGZWCLSJRGASI-AHRSYUTCSA-N 1 2 371.456 2.878 20 30 FFEDLO Cn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096815723 1016589137 /nfs/dbraw/zinc/58/91/37/1016589137.db2.gz WPPWOOQRAICBLG-NXHRZFHOSA-N 1 2 352.413 2.571 20 30 FFEDLO Cn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096815723 1016589150 /nfs/dbraw/zinc/58/91/50/1016589150.db2.gz WPPWOOQRAICBLG-NXHRZFHOSA-N 1 2 352.413 2.571 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001091981599 1002245016 /nfs/dbraw/zinc/24/50/16/1002245016.db2.gz PJDFGZXKEYDGNS-CCKFTAQKSA-N 1 2 364.921 2.956 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001091981599 1002245020 /nfs/dbraw/zinc/24/50/20/1002245020.db2.gz PJDFGZXKEYDGNS-CCKFTAQKSA-N 1 2 364.921 2.956 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)[C@@H]1C ZINC001092039253 1002261229 /nfs/dbraw/zinc/26/12/29/1002261229.db2.gz FXHCEKUSIKMBHM-QAPCUYQASA-N 1 2 354.498 2.941 20 30 FFEDLO N#C[C@H](Cc1ccc(O)cc1)C(=O)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001183610067 1002315399 /nfs/dbraw/zinc/31/53/99/1002315399.db2.gz TUIFZMHAQRNYIE-RXVVDRJESA-N 1 2 361.445 2.516 20 30 FFEDLO N#C[C@H](Cc1ccc(O)cc1)C(=O)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001183610067 1002315409 /nfs/dbraw/zinc/31/54/09/1002315409.db2.gz TUIFZMHAQRNYIE-RXVVDRJESA-N 1 2 361.445 2.516 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H](Nc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001096835352 1016613299 /nfs/dbraw/zinc/61/32/99/1016613299.db2.gz DXTMJCMSVLHNFY-SQNIBIBYSA-N 1 2 370.497 2.950 20 30 FFEDLO CC1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)[C@@](C)(CO)C1 ZINC001183829577 1002402253 /nfs/dbraw/zinc/40/22/53/1002402253.db2.gz WNYQYSOIBOADBF-DENIHFKCSA-N 1 2 369.509 2.922 20 30 FFEDLO CC1(C)CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)[C@@](C)(CO)C1 ZINC001183829577 1002402261 /nfs/dbraw/zinc/40/22/61/1002402261.db2.gz WNYQYSOIBOADBF-DENIHFKCSA-N 1 2 369.509 2.922 20 30 FFEDLO Cc1ncsc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096841116 1016622327 /nfs/dbraw/zinc/62/23/27/1016622327.db2.gz IEQYHCNYNWUNBJ-OIISXLGYSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1ncsc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096841116 1016622334 /nfs/dbraw/zinc/62/23/34/1016622334.db2.gz IEQYHCNYNWUNBJ-OIISXLGYSA-N 1 2 370.453 2.998 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)[C@@H]([C@@H](C)CC)N(C)C(=O)OC(C)(C)C)CC1 ZINC001184132651 1002497780 /nfs/dbraw/zinc/49/77/80/1002497780.db2.gz ORWZKYWVLKLKMY-JKSUJKDBSA-N 1 2 353.507 2.598 20 30 FFEDLO CCO[C@@H](CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110348294 1002555116 /nfs/dbraw/zinc/55/51/16/1002555116.db2.gz YQBOFFFWIDQDQK-ZRNYENFQSA-N 1 2 358.457 2.714 20 30 FFEDLO CCO[C@@H](CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110348294 1002555126 /nfs/dbraw/zinc/55/51/26/1002555126.db2.gz YQBOFFFWIDQDQK-ZRNYENFQSA-N 1 2 358.457 2.714 20 30 FFEDLO CN(C)c1ccc(C#N)cc1C[NH+]1CC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001184374763 1002579787 /nfs/dbraw/zinc/57/97/87/1002579787.db2.gz QFLOWQJDUPKPNW-UHFFFAOYSA-N 1 2 356.470 2.677 20 30 FFEDLO CC[C@H](C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C#N)cn2)C1 ZINC001092314003 1002662590 /nfs/dbraw/zinc/66/25/90/1002662590.db2.gz XBKLBNXZGAKZOM-USXIJHARSA-N 1 2 366.469 2.529 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2nc(C)ncc2C)C1 ZINC001092314954 1002666749 /nfs/dbraw/zinc/66/67/49/1002666749.db2.gz ZGASFNNBTHXWOT-IAGOWNOFSA-N 1 2 368.485 2.590 20 30 FFEDLO C=CCCOCC(=O)N1C[C@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@@]2(C)C1 ZINC001092293500 1002705450 /nfs/dbraw/zinc/70/54/50/1002705450.db2.gz KMMUMQKRIVLBQO-UTKZUKDTSA-N 1 2 370.497 2.540 20 30 FFEDLO C=C[C@H](C(=O)NC[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C)c1ccccc1 ZINC001092381517 1002759835 /nfs/dbraw/zinc/75/98/35/1002759835.db2.gz LMTBAIRLDAOIBI-LZQZEXGQSA-N 1 2 350.466 2.943 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc(CC3CC3)s2)C1 ZINC001086600991 1002780227 /nfs/dbraw/zinc/78/02/27/1002780227.db2.gz ASZWNEWXTFGDGQ-ZWKOTPCHSA-N 1 2 365.502 2.927 20 30 FFEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc(CC3CC3)s2)C1 ZINC001086600991 1002780234 /nfs/dbraw/zinc/78/02/34/1002780234.db2.gz ASZWNEWXTFGDGQ-ZWKOTPCHSA-N 1 2 365.502 2.927 20 30 FFEDLO Cc1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2cccc(Cl)c2)[nH]1 ZINC001096888151 1016684512 /nfs/dbraw/zinc/68/45/12/1016684512.db2.gz FTXUSRUYFZADFZ-LMMKCTJWSA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2cccc(Cl)c2)[nH]1 ZINC001096888151 1016684514 /nfs/dbraw/zinc/68/45/14/1016684514.db2.gz FTXUSRUYFZADFZ-LMMKCTJWSA-N 1 2 368.868 2.758 20 30 FFEDLO C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC001185223783 1002868906 /nfs/dbraw/zinc/86/89/06/1002868906.db2.gz ARQBIFBIUSGVIW-INIZCTEOSA-N 1 2 355.463 2.540 20 30 FFEDLO C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC001185223783 1002868922 /nfs/dbraw/zinc/86/89/22/1002868922.db2.gz ARQBIFBIUSGVIW-INIZCTEOSA-N 1 2 355.463 2.540 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110359382 1002893235 /nfs/dbraw/zinc/89/32/35/1002893235.db2.gz MCTHCPINQZAZJN-DOVSJBTNSA-N 1 2 370.468 2.714 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110359382 1002893253 /nfs/dbraw/zinc/89/32/53/1002893253.db2.gz MCTHCPINQZAZJN-DOVSJBTNSA-N 1 2 370.468 2.714 20 30 FFEDLO Cc1nc(N2C[C@@H](C)[C@H](CCNC(=O)C#CC(C)C)C2)c2c([nH+]1)CCCC2 ZINC001092511415 1003017087 /nfs/dbraw/zinc/01/70/87/1003017087.db2.gz JQDCDNPZGCUVPH-SJLPKXTDSA-N 1 2 368.525 2.902 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1CC ZINC001110371715 1003101102 /nfs/dbraw/zinc/10/11/02/1003101102.db2.gz XIAOORSFSWEWCW-QRQLOZEOSA-N 1 2 355.482 2.875 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1CC ZINC001110371715 1003101110 /nfs/dbraw/zinc/10/11/10/1003101110.db2.gz XIAOORSFSWEWCW-QRQLOZEOSA-N 1 2 355.482 2.875 20 30 FFEDLO COc1cccc(CNC(=O)Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c1 ZINC001186176027 1003203420 /nfs/dbraw/zinc/20/34/20/1003203420.db2.gz XISWPVLHIZKSAH-UHFFFAOYSA-N 1 2 356.451 2.938 20 30 FFEDLO COc1cccc(CNC(=O)Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001186176027 1003203430 /nfs/dbraw/zinc/20/34/30/1003203430.db2.gz XISWPVLHIZKSAH-UHFFFAOYSA-N 1 2 356.451 2.938 20 30 FFEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)c2c(C)cc(F)cc2C#N)c1C ZINC001186195128 1003214927 /nfs/dbraw/zinc/21/49/27/1003214927.db2.gz DGOPJNYMKRQUPC-UHFFFAOYSA-N 1 2 363.414 2.505 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC001086609946 1003232049 /nfs/dbraw/zinc/23/20/49/1003232049.db2.gz GFMVWWYWQQHSSX-DLBZAZTESA-N 1 2 358.873 2.977 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC001086609946 1003232055 /nfs/dbraw/zinc/23/20/55/1003232055.db2.gz GFMVWWYWQQHSSX-DLBZAZTESA-N 1 2 358.873 2.977 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113918026 1003232578 /nfs/dbraw/zinc/23/25/78/1003232578.db2.gz APEDLKGRAWBHNZ-HFTRVMKXSA-N 1 2 358.486 2.585 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(Cl)cc1 ZINC001110380351 1003291744 /nfs/dbraw/zinc/29/17/44/1003291744.db2.gz SOAMAALCEVBIRI-ZACQAIPSSA-N 1 2 361.873 2.966 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(Cl)cc1 ZINC001110380351 1003291754 /nfs/dbraw/zinc/29/17/54/1003291754.db2.gz SOAMAALCEVBIRI-ZACQAIPSSA-N 1 2 361.873 2.966 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)Cc2cccc(Br)c2)CC1 ZINC001186516042 1003335097 /nfs/dbraw/zinc/33/50/97/1003335097.db2.gz AUVHMNUGZNZDNB-CQSZACIVSA-N 1 2 351.288 2.958 20 30 FFEDLO Cc1cccc(OCC[N@@H+](C)Cn2cc3c(c(C#N)c2=O)CCCC3)c1 ZINC000793489682 1003387393 /nfs/dbraw/zinc/38/73/93/1003387393.db2.gz HDUDANHUTIXRTL-UHFFFAOYSA-N 1 2 351.450 2.876 20 30 FFEDLO Cc1cccc(OCC[N@H+](C)Cn2cc3c(c(C#N)c2=O)CCCC3)c1 ZINC000793489682 1003387400 /nfs/dbraw/zinc/38/74/00/1003387400.db2.gz HDUDANHUTIXRTL-UHFFFAOYSA-N 1 2 351.450 2.876 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CCCCO2)C3)c1 ZINC001096939734 1016765879 /nfs/dbraw/zinc/76/58/79/1016765879.db2.gz DMBQKNFUQQKVSB-BWPNAZKDSA-N 1 2 371.456 2.878 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CCCCO2)C3)c1 ZINC001096939734 1016765894 /nfs/dbraw/zinc/76/58/94/1016765894.db2.gz DMBQKNFUQQKVSB-BWPNAZKDSA-N 1 2 371.456 2.878 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC001086615253 1003406107 /nfs/dbraw/zinc/40/61/07/1003406107.db2.gz OSYJHEFCDFXOHR-DLBZAZTESA-N 1 2 358.873 2.977 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC001086615253 1003406114 /nfs/dbraw/zinc/40/61/14/1003406114.db2.gz OSYJHEFCDFXOHR-DLBZAZTESA-N 1 2 358.873 2.977 20 30 FFEDLO Cc1cc(N2CC[C@@]3(CNC(=O)[C@@H](C)C#N)CCC[C@@H]23)nc(C2CC2)[nH+]1 ZINC001092686924 1003429140 /nfs/dbraw/zinc/42/91/40/1003429140.db2.gz KOMNSAFRMJBVOM-GQWAEJPESA-N 1 2 353.470 2.687 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(-c2ccccc2)o1 ZINC001110385321 1003446684 /nfs/dbraw/zinc/44/66/84/1003446684.db2.gz WCBBLZUDWJCREW-KURKYZTESA-N 1 2 367.449 2.766 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(-c2ccccc2)o1 ZINC001110385321 1003446693 /nfs/dbraw/zinc/44/66/93/1003446693.db2.gz WCBBLZUDWJCREW-KURKYZTESA-N 1 2 367.449 2.766 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)[C@@H]1CCCCO1 ZINC001096964165 1016779239 /nfs/dbraw/zinc/77/92/39/1016779239.db2.gz JDIYOGBRVRMKLS-ZRNYENFQSA-N 1 2 372.896 2.982 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)[C@@H]1CCCCO1 ZINC001096964165 1016779253 /nfs/dbraw/zinc/77/92/53/1016779253.db2.gz JDIYOGBRVRMKLS-ZRNYENFQSA-N 1 2 372.896 2.982 20 30 FFEDLO C=C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(C)nc1)c1ccccc1 ZINC001110137060 1003610220 /nfs/dbraw/zinc/61/02/20/1003610220.db2.gz ZDEDCSLLWYFAIU-ANULTFPQSA-N 1 2 362.477 2.976 20 30 FFEDLO C=C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(C)nc1)c1ccccc1 ZINC001110137060 1003610226 /nfs/dbraw/zinc/61/02/26/1003610226.db2.gz ZDEDCSLLWYFAIU-ANULTFPQSA-N 1 2 362.477 2.976 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1)OCC ZINC001092887469 1003666060 /nfs/dbraw/zinc/66/60/60/1003666060.db2.gz FDXPJCIDWYXYIV-VSZNYVQBSA-N 1 2 372.513 2.945 20 30 FFEDLO CCCCNc1cc(N2CCO[C@@H](c3cccc(C#N)c3)C2)nc(N)[nH+]1 ZINC000804580922 1003737682 /nfs/dbraw/zinc/73/76/82/1003737682.db2.gz LSLUAVRNNIVQJX-MRXNPFEDSA-N 1 2 352.442 2.720 20 30 FFEDLO CCCCNc1cc(N2CCO[C@@H](c3cccc(C#N)c3)C2)[nH+]c(N)n1 ZINC000804580922 1003737687 /nfs/dbraw/zinc/73/76/87/1003737687.db2.gz LSLUAVRNNIVQJX-MRXNPFEDSA-N 1 2 352.442 2.720 20 30 FFEDLO Cc1nscc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001096981623 1016827441 /nfs/dbraw/zinc/82/74/41/1016827441.db2.gz VHSOZOWXGNXKKY-QRQLOZEOSA-N 1 2 369.465 2.977 20 30 FFEDLO Cc1nscc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001096981623 1016827458 /nfs/dbraw/zinc/82/74/58/1016827458.db2.gz VHSOZOWXGNXKKY-QRQLOZEOSA-N 1 2 369.465 2.977 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccsn2)C3)c1 ZINC001095598071 1016825409 /nfs/dbraw/zinc/82/54/09/1016825409.db2.gz NCKIJMUKMOPAQR-COXVUDFISA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccsn2)C3)c1 ZINC001095598071 1016825425 /nfs/dbraw/zinc/82/54/25/1016825425.db2.gz NCKIJMUKMOPAQR-COXVUDFISA-N 1 2 356.426 2.689 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)C1CCCCC1 ZINC001196854650 1003993413 /nfs/dbraw/zinc/99/34/13/1003993413.db2.gz UTKPEEZNDYKEBZ-STZQEDGTSA-N 1 2 368.521 2.806 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)C1CCCCC1 ZINC001196854650 1003993420 /nfs/dbraw/zinc/99/34/20/1003993420.db2.gz UTKPEEZNDYKEBZ-STZQEDGTSA-N 1 2 368.521 2.806 20 30 FFEDLO Cc1ccc(C[N@H+](C)CN2CC(=O)N(Cc3ccccc3C#N)C2=O)s1 ZINC000102765877 1004065628 /nfs/dbraw/zinc/06/56/28/1004065628.db2.gz XXXCEEYSMMNABI-UHFFFAOYSA-N 1 2 368.462 2.782 20 30 FFEDLO Cc1ccc(C[N@@H+](C)CN2CC(=O)N(Cc3ccccc3C#N)C2=O)s1 ZINC000102765877 1004065637 /nfs/dbraw/zinc/06/56/37/1004065637.db2.gz XXXCEEYSMMNABI-UHFFFAOYSA-N 1 2 368.462 2.782 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H](C(=O)OCc3cccc4[nH+]ccn43)C2)c(F)c1 ZINC000805899086 1004173204 /nfs/dbraw/zinc/17/32/04/1004173204.db2.gz HYRFRIMMBIMGMW-OAHLLOKOSA-N 1 2 364.380 2.915 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)cc3Cl)C[C@H]2O)CCC1 ZINC001193685429 1004550756 /nfs/dbraw/zinc/55/07/56/1004550756.db2.gz MWHJRNWBCMUTKN-QZTJIDSGSA-N 1 2 360.885 2.503 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C)cc3Cl)C[C@H]2O)CCC1 ZINC001193685429 1004550763 /nfs/dbraw/zinc/55/07/63/1004550763.db2.gz MWHJRNWBCMUTKN-QZTJIDSGSA-N 1 2 360.885 2.503 20 30 FFEDLO C=CCOC(=O)Nc1cncnc1[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001194287276 1004707463 /nfs/dbraw/zinc/70/74/63/1004707463.db2.gz VSRMCNISPVSDQN-QGZVFWFLSA-N 1 2 354.410 2.785 20 30 FFEDLO C=CCOC(=O)Nc1cncnc1[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001194287276 1004707470 /nfs/dbraw/zinc/70/74/70/1004707470.db2.gz VSRMCNISPVSDQN-QGZVFWFLSA-N 1 2 354.410 2.785 20 30 FFEDLO Nc1ccc(CN=Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c[nH+]1 ZINC000807940943 1004725387 /nfs/dbraw/zinc/72/53/87/1004725387.db2.gz YVKBOCIORYKIKH-UHFFFAOYSA-N 1 2 370.247 2.945 20 30 FFEDLO CCCCC[C@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1)C(C)C ZINC001131108347 1004728906 /nfs/dbraw/zinc/72/89/06/1004728906.db2.gz QNSDDIVKUODZPP-RCCFBDPRSA-N 1 2 359.518 2.680 20 30 FFEDLO CC1(CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)CCCCC1 ZINC001194619958 1004784316 /nfs/dbraw/zinc/78/43/16/1004784316.db2.gz YVPQZRYXBUEZCX-WOJBJXKFSA-N 1 2 354.494 2.560 20 30 FFEDLO CC1(CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)CCCCC1 ZINC001194619958 1004784321 /nfs/dbraw/zinc/78/43/21/1004784321.db2.gz YVPQZRYXBUEZCX-WOJBJXKFSA-N 1 2 354.494 2.560 20 30 FFEDLO CCC[C@@H](CC(C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001199252559 1004885102 /nfs/dbraw/zinc/88/51/02/1004885102.db2.gz DEDDTSZNKCDQKW-BMGDILEWSA-N 1 2 363.527 2.743 20 30 FFEDLO CCC[C@@H](CC(C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001199252559 1004885106 /nfs/dbraw/zinc/88/51/06/1004885106.db2.gz DEDDTSZNKCDQKW-BMGDILEWSA-N 1 2 363.527 2.743 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@H]1O ZINC001195278316 1004929997 /nfs/dbraw/zinc/92/99/97/1004929997.db2.gz RUDNFSVQNUMVHP-CSMYWGQOSA-N 1 2 352.425 2.789 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@H]1O ZINC001195278316 1004930000 /nfs/dbraw/zinc/93/00/00/1004930000.db2.gz RUDNFSVQNUMVHP-CSMYWGQOSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](CC)c2ccc(F)cc2F)C[C@H]1O ZINC001195312906 1004939693 /nfs/dbraw/zinc/93/96/93/1004939693.db2.gz XRELEKNJTSULQG-BRWVUGGUSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](CC)c2ccc(F)cc2F)C[C@H]1O ZINC001195312906 1004939697 /nfs/dbraw/zinc/93/96/97/1004939697.db2.gz XRELEKNJTSULQG-BRWVUGGUSA-N 1 2 352.425 2.789 20 30 FFEDLO COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC2CC2)C3)c1Cl ZINC001110540081 1005004925 /nfs/dbraw/zinc/00/49/25/1005004925.db2.gz ASXPGCOLPYIAOO-ZACQAIPSSA-N 1 2 358.869 2.984 20 30 FFEDLO COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC2CC2)C3)c1Cl ZINC001110540081 1005004929 /nfs/dbraw/zinc/00/49/29/1005004929.db2.gz ASXPGCOLPYIAOO-ZACQAIPSSA-N 1 2 358.869 2.984 20 30 FFEDLO CCCCCC[C@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110541356 1005009891 /nfs/dbraw/zinc/00/98/91/1005009891.db2.gz GNRFMJRCMHYOLA-NBYUQASBSA-N 1 2 373.541 2.596 20 30 FFEDLO CCCCCC[C@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110541356 1005009896 /nfs/dbraw/zinc/00/98/96/1005009896.db2.gz GNRFMJRCMHYOLA-NBYUQASBSA-N 1 2 373.541 2.596 20 30 FFEDLO N#Cc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(O)c1 ZINC001195765213 1005033566 /nfs/dbraw/zinc/03/35/66/1005033566.db2.gz XLJDMAKQALOOMI-UHFFFAOYSA-N 1 2 360.417 2.552 20 30 FFEDLO N#Cc1ccc(NC(=S)N2CCn3c[nH+]cc3C2)c(Br)c1 ZINC001201122816 1005175772 /nfs/dbraw/zinc/17/57/72/1005175772.db2.gz RJHKSUSFMMRBPR-UHFFFAOYSA-N 1 2 362.256 2.730 20 30 FFEDLO COc1ccc(C#N)cc1Nc1ccc(N2CC[NH+](C3COC3)CC2)cc1 ZINC001201590833 1005237264 /nfs/dbraw/zinc/23/72/64/1005237264.db2.gz YMNXCXXOXIYJRQ-UHFFFAOYSA-N 1 2 364.449 2.831 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1snnc1C ZINC001110601337 1005475700 /nfs/dbraw/zinc/47/57/00/1005475700.db2.gz ULWHCKOEGLOEAU-UPJWGTAASA-N 1 2 354.907 2.847 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1snnc1C ZINC001110601337 1005475701 /nfs/dbraw/zinc/47/57/01/1005475701.db2.gz ULWHCKOEGLOEAU-UPJWGTAASA-N 1 2 354.907 2.847 20 30 FFEDLO C=CC(C)(C)C(=O)NCCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001489967323 1005610011 /nfs/dbraw/zinc/61/00/11/1005610011.db2.gz UBVYDJHCZYEJGV-NVXWUHKLSA-N 1 2 360.502 2.688 20 30 FFEDLO C#CCCCCC(=O)N(C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001490142178 1005665090 /nfs/dbraw/zinc/66/50/90/1005665090.db2.gz VGZBWMGROYRRKO-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO C#CCCCCC(=O)N(C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001490142178 1005665092 /nfs/dbraw/zinc/66/50/92/1005665092.db2.gz VGZBWMGROYRRKO-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1cccc(C)c1 ZINC001110610495 1005670765 /nfs/dbraw/zinc/67/07/65/1005670765.db2.gz FYIBHYBTDDBVDW-AQNXPRMDSA-N 1 2 369.509 2.689 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1cccc(C)c1 ZINC001110610495 1005670766 /nfs/dbraw/zinc/67/07/66/1005670766.db2.gz FYIBHYBTDDBVDW-AQNXPRMDSA-N 1 2 369.509 2.689 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852299671 1005965606 /nfs/dbraw/zinc/96/56/06/1005965606.db2.gz XYESEUAUPNBWSN-UDWIEESQSA-N 1 2 365.477 2.737 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852299671 1005965611 /nfs/dbraw/zinc/96/56/11/1005965611.db2.gz XYESEUAUPNBWSN-UDWIEESQSA-N 1 2 365.477 2.737 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4cccs4)no3)C[C@H]21 ZINC001187240748 1005971919 /nfs/dbraw/zinc/97/19/19/1005971919.db2.gz ZHLNVNKLMXZSCV-UONOGXRCSA-N 1 2 358.467 2.797 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4cccs4)no3)C[C@H]21 ZINC001187240748 1005971925 /nfs/dbraw/zinc/97/19/25/1005971925.db2.gz ZHLNVNKLMXZSCV-UONOGXRCSA-N 1 2 358.467 2.797 20 30 FFEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000852330746 1005982455 /nfs/dbraw/zinc/98/24/55/1005982455.db2.gz FXRKZBSJIOGXCU-HXUWFJFHSA-N 1 2 367.428 2.689 20 30 FFEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000852330746 1005982458 /nfs/dbraw/zinc/98/24/58/1005982458.db2.gz FXRKZBSJIOGXCU-HXUWFJFHSA-N 1 2 367.428 2.689 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)[C@H](C)COC ZINC000852356578 1005992370 /nfs/dbraw/zinc/99/23/70/1005992370.db2.gz IPZZGGBCJZNHGY-MRXNPFEDSA-N 1 2 373.497 2.820 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)[C@H](C)COC ZINC000852356578 1005992387 /nfs/dbraw/zinc/99/23/87/1005992387.db2.gz IPZZGGBCJZNHGY-MRXNPFEDSA-N 1 2 373.497 2.820 20 30 FFEDLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000852442617 1006025110 /nfs/dbraw/zinc/02/51/10/1006025110.db2.gz GCJQBMMYVYEAHL-HOCLYGCPSA-N 1 2 362.433 2.867 20 30 FFEDLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000852442617 1006025123 /nfs/dbraw/zinc/02/51/23/1006025123.db2.gz GCJQBMMYVYEAHL-HOCLYGCPSA-N 1 2 362.433 2.867 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)CCC)[C@@H]3C2)c1 ZINC001187387498 1006077776 /nfs/dbraw/zinc/07/77/76/1006077776.db2.gz XICMFAANQKACGM-XKGZKEIXSA-N 1 2 367.493 2.575 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)CCC)[C@@H]3C2)c1 ZINC001187387498 1006077789 /nfs/dbraw/zinc/07/77/89/1006077789.db2.gz XICMFAANQKACGM-XKGZKEIXSA-N 1 2 367.493 2.575 20 30 FFEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000814663055 1006398835 /nfs/dbraw/zinc/39/88/35/1006398835.db2.gz FAEQDEYCRSLKBE-OAHLLOKOSA-N 1 2 357.454 2.941 20 30 FFEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000814663055 1006398842 /nfs/dbraw/zinc/39/88/42/1006398842.db2.gz FAEQDEYCRSLKBE-OAHLLOKOSA-N 1 2 357.454 2.941 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3cccc(F)c3)C[C@H]21 ZINC001188086844 1006404289 /nfs/dbraw/zinc/40/42/89/1006404289.db2.gz CAGYVDHSDKKQOY-MAUKXSAKSA-N 1 2 359.445 2.653 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3cccc(F)c3)C[C@H]21 ZINC001188086844 1006404296 /nfs/dbraw/zinc/40/42/96/1006404296.db2.gz CAGYVDHSDKKQOY-MAUKXSAKSA-N 1 2 359.445 2.653 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(CC)o3)C[C@H]21)OCC ZINC001188095875 1006409235 /nfs/dbraw/zinc/40/92/35/1006409235.db2.gz VCEJZTCYBGZWQL-JQHSSLGASA-N 1 2 361.486 2.641 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(CC)o3)C[C@H]21)OCC ZINC001188095875 1006409237 /nfs/dbraw/zinc/40/92/37/1006409237.db2.gz VCEJZTCYBGZWQL-JQHSSLGASA-N 1 2 361.486 2.641 20 30 FFEDLO CC(N=Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1ccc(N)[nH+]c1 ZINC000814853352 1006450136 /nfs/dbraw/zinc/45/01/36/1006450136.db2.gz DPZLBRKFIKAMBC-UHFFFAOYSA-N 1 2 373.342 2.793 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(-c2ccccc2)on1 ZINC001110403217 1006766901 /nfs/dbraw/zinc/76/69/01/1006766901.db2.gz NSXCGSGKDPGYOW-LIRZEXBASA-N 1 2 350.422 2.723 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(-c2ccccc2)on1 ZINC001110403217 1006766912 /nfs/dbraw/zinc/76/69/12/1006766912.db2.gz NSXCGSGKDPGYOW-LIRZEXBASA-N 1 2 350.422 2.723 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3cccc(OC)c3)C[C@H]21 ZINC001188985344 1006832633 /nfs/dbraw/zinc/83/26/33/1006832633.db2.gz DWRRBMIGITWOKL-QFBILLFUSA-N 1 2 371.481 2.523 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3cccc(OC)c3)C[C@H]21 ZINC001188985344 1006832648 /nfs/dbraw/zinc/83/26/48/1006832648.db2.gz DWRRBMIGITWOKL-QFBILLFUSA-N 1 2 371.481 2.523 20 30 FFEDLO C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC001086774953 1007348056 /nfs/dbraw/zinc/34/80/56/1007348056.db2.gz ODOAZRQMRZQASB-XJKSGUPXSA-N 1 2 359.861 2.712 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1C#N ZINC000134957599 1007470258 /nfs/dbraw/zinc/47/02/58/1007470258.db2.gz UFJDPXNBZVWDNK-UHFFFAOYSA-N 1 2 352.394 2.797 20 30 FFEDLO CC[C@H]1C[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CCO1 ZINC000817708229 1007712251 /nfs/dbraw/zinc/71/22/51/1007712251.db2.gz VVBYCMFKPPASMM-KBPBESRZSA-N 1 2 354.454 2.604 20 30 FFEDLO C#CCn1ccc(CN(CC)C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)n1 ZINC000819951016 1008263381 /nfs/dbraw/zinc/26/33/81/1008263381.db2.gz YFCXNKYQJHKBCW-IBGZPJMESA-N 1 2 361.449 2.810 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[C@@H](C)C(C)C)C2)c1 ZINC001206544995 1032337058 /nfs/dbraw/zinc/33/70/58/1032337058.db2.gz ODPDOEZYSZRHFT-MBOZVWFJSA-N 1 2 369.509 2.725 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C[C@@H](C)C(C)C)C2)c1 ZINC001206544995 1032337070 /nfs/dbraw/zinc/33/70/70/1032337070.db2.gz ODPDOEZYSZRHFT-MBOZVWFJSA-N 1 2 369.509 2.725 20 30 FFEDLO N#Cc1ccc([C@@H](O)CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000860013462 1008780288 /nfs/dbraw/zinc/78/02/88/1008780288.db2.gz PUIUTPLAJGPZDV-QFIPXVFZSA-N 1 2 360.461 2.891 20 30 FFEDLO Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001206663104 1032378347 /nfs/dbraw/zinc/37/83/47/1032378347.db2.gz YUHVUAWFUPSPRP-YRGRVCCFSA-N 1 2 358.467 2.808 20 30 FFEDLO Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001206663104 1032378358 /nfs/dbraw/zinc/37/83/58/1032378358.db2.gz YUHVUAWFUPSPRP-YRGRVCCFSA-N 1 2 358.467 2.808 20 30 FFEDLO Cc1cccc(NC(=O)N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)c1 ZINC000125991529 1009210925 /nfs/dbraw/zinc/21/09/25/1009210925.db2.gz WRERZYJBHQAAER-FQEVSTJZSA-N 1 2 364.449 2.750 20 30 FFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1C#N ZINC001092920793 1009335772 /nfs/dbraw/zinc/33/57/72/1009335772.db2.gz OXHVSIFJYJCJDZ-HBMYEMETSA-N 1 2 367.428 2.525 20 30 FFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1C#N ZINC001092920793 1009335785 /nfs/dbraw/zinc/33/57/85/1009335785.db2.gz OXHVSIFJYJCJDZ-HBMYEMETSA-N 1 2 367.428 2.525 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)[C@@H]1CCCCO1 ZINC001095319860 1010121256 /nfs/dbraw/zinc/12/12/56/1010121256.db2.gz YIVWZGKGGLAWGR-FYQPLNBISA-N 1 2 372.896 2.982 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)[C@@H]1CCCCO1 ZINC001095319860 1010121263 /nfs/dbraw/zinc/12/12/63/1010121263.db2.gz YIVWZGKGGLAWGR-FYQPLNBISA-N 1 2 372.896 2.982 20 30 FFEDLO C[C@@]1(c2ccccn2)CC(=O)N(C[N@@H+]2CCc3c(CC#N)cccc3C2)C1 ZINC000863335415 1010182940 /nfs/dbraw/zinc/18/29/40/1010182940.db2.gz GHFXNFQNNOBBSL-JOCHJYFZSA-N 1 2 360.461 2.653 20 30 FFEDLO C[C@@]1(c2ccccn2)CC(=O)N(C[N@H+]2CCc3c(CC#N)cccc3C2)C1 ZINC000863335415 1010182946 /nfs/dbraw/zinc/18/29/46/1010182946.db2.gz GHFXNFQNNOBBSL-JOCHJYFZSA-N 1 2 360.461 2.653 20 30 FFEDLO CC[C@H](C)OCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206882425 1032477143 /nfs/dbraw/zinc/47/71/43/1032477143.db2.gz PGOWYNIHXBYIQZ-JTDSTZFVSA-N 1 2 362.901 2.943 20 30 FFEDLO CC[C@H](C)OCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206882425 1032477144 /nfs/dbraw/zinc/47/71/44/1032477144.db2.gz PGOWYNIHXBYIQZ-JTDSTZFVSA-N 1 2 362.901 2.943 20 30 FFEDLO CN(C)C(=O)COc1cccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)c1 ZINC000794697391 1010522778 /nfs/dbraw/zinc/52/27/78/1010522778.db2.gz DVZLBYUZDGWRFK-CMDGGOBGSA-N 1 2 373.478 2.568 20 30 FFEDLO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C=NNC(N)=[NH2+] ZINC000864753417 1010569252 /nfs/dbraw/zinc/56/92/52/1010569252.db2.gz RUPSDNPXPSEXTJ-UHFFFAOYSA-N 1 2 352.373 2.929 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccc(C)cc3)no2)C[C@H]1C ZINC001206911466 1032492569 /nfs/dbraw/zinc/49/25/69/1032492569.db2.gz QSGLOOIVIOUDSY-SJLPKXTDSA-N 1 2 366.465 2.785 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccc(C)cc3)no2)C[C@H]1C ZINC001206911466 1032492573 /nfs/dbraw/zinc/49/25/73/1032492573.db2.gz QSGLOOIVIOUDSY-SJLPKXTDSA-N 1 2 366.465 2.785 20 30 FFEDLO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1nnc2ccc(C(F)(F)F)cn21 ZINC000865404203 1010775912 /nfs/dbraw/zinc/77/59/12/1010775912.db2.gz CFUAGKNMQAQIRI-UHFFFAOYSA-N 1 2 374.370 2.976 20 30 FFEDLO C#C[C@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000825567418 1010792740 /nfs/dbraw/zinc/79/27/40/1010792740.db2.gz YMZVGHJYXDYZSJ-RTWAWAEBSA-N 1 2 363.461 2.561 20 30 FFEDLO C#C[C@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000825567418 1010792744 /nfs/dbraw/zinc/79/27/44/1010792744.db2.gz YMZVGHJYXDYZSJ-RTWAWAEBSA-N 1 2 363.461 2.561 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2cccc3c2CCOC3)C1 ZINC000866479534 1011001663 /nfs/dbraw/zinc/00/16/63/1011001663.db2.gz VWBZJWMONVPWSS-SJLPKXTDSA-N 1 2 357.454 2.608 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001110863299 1011267805 /nfs/dbraw/zinc/26/78/05/1011267805.db2.gz CRVBCLJONVPHQS-JEWRLFTDSA-N 1 2 363.527 2.902 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001110863299 1011267817 /nfs/dbraw/zinc/26/78/17/1011267817.db2.gz CRVBCLJONVPHQS-JEWRLFTDSA-N 1 2 363.527 2.902 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Oc1ccc(OC)cc1)C2 ZINC001110876652 1011306149 /nfs/dbraw/zinc/30/61/49/1011306149.db2.gz RXNRZVXLEXOOKN-DTDBQYNISA-N 1 2 364.873 2.937 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Oc1ccc(OC)cc1)C2 ZINC001110876652 1011306162 /nfs/dbraw/zinc/30/61/62/1011306162.db2.gz RXNRZVXLEXOOKN-DTDBQYNISA-N 1 2 364.873 2.937 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCC(C)(C)CCC#N)C2)cc1 ZINC000868613528 1011387608 /nfs/dbraw/zinc/38/76/08/1011387608.db2.gz NWTOYHHUICIZLC-IBGZPJMESA-N 1 2 372.513 2.825 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NCC(C)(C)CCC#N)C2)cc1 ZINC000868613528 1011387619 /nfs/dbraw/zinc/38/76/19/1011387619.db2.gz NWTOYHHUICIZLC-IBGZPJMESA-N 1 2 372.513 2.825 20 30 FFEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1)C(=O)OCC ZINC001171876471 1011495064 /nfs/dbraw/zinc/49/50/64/1011495064.db2.gz BYQRLDNQVQQJDZ-OPYAIIAOSA-N 1 2 356.466 2.779 20 30 FFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000869025979 1011573642 /nfs/dbraw/zinc/57/36/42/1011573642.db2.gz MMXCFSHDGKAMJG-CALCHBBNSA-N 1 2 363.502 2.685 20 30 FFEDLO CCCCCCC[NH+]1CC2(C1)CN(Cc1csc(C)n1)C(=O)CO2 ZINC001275114880 1011958493 /nfs/dbraw/zinc/95/84/93/1011958493.db2.gz QIKYNWPWCVVRAB-UHFFFAOYSA-N 1 2 351.516 2.835 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2c[nH]c(Br)c2)C1=O ZINC001276751139 1032597965 /nfs/dbraw/zinc/59/79/65/1032597965.db2.gz SXBUICMSYQMZDR-INIZCTEOSA-N 1 2 352.276 2.920 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2c[nH]c(Br)c2)C1=O ZINC001276751139 1032597967 /nfs/dbraw/zinc/59/79/67/1032597967.db2.gz SXBUICMSYQMZDR-INIZCTEOSA-N 1 2 352.276 2.920 20 30 FFEDLO N#CCSc1ccccc1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000870132779 1012179584 /nfs/dbraw/zinc/17/95/84/1012179584.db2.gz SNMGEJFJLNBBRC-UHFFFAOYSA-N 1 2 367.474 2.966 20 30 FFEDLO C#CCN1C(=O)COCC12C[NH+](Cc1ccc(-c3cccc(Cl)c3)o1)C2 ZINC001275288314 1012208103 /nfs/dbraw/zinc/20/81/03/1012208103.db2.gz DLGXZIYCWUMNLD-UHFFFAOYSA-N 1 2 370.836 2.646 20 30 FFEDLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000796333332 1012228382 /nfs/dbraw/zinc/22/83/82/1012228382.db2.gz MNYFSFDBWSKZHI-JGNSAKODSA-N 1 2 367.474 2.828 20 30 FFEDLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000796333332 1012228398 /nfs/dbraw/zinc/22/83/98/1012228398.db2.gz MNYFSFDBWSKZHI-JGNSAKODSA-N 1 2 367.474 2.828 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2sccc2Br)C1=O ZINC001275515640 1012567155 /nfs/dbraw/zinc/56/71/55/1012567155.db2.gz OBMYOHQVONHLRR-HNNXBMFYSA-N 1 2 353.285 2.711 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2sccc2Br)C1=O ZINC001275515640 1012567164 /nfs/dbraw/zinc/56/71/64/1012567164.db2.gz OBMYOHQVONHLRR-HNNXBMFYSA-N 1 2 353.285 2.711 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(C)cn1)c1ccccc1 ZINC001111443360 1017104605 /nfs/dbraw/zinc/10/46/05/1017104605.db2.gz ILPGACGIKOQVQV-MHTWAQMVSA-N 1 2 362.477 2.976 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(C)cn1)c1ccccc1 ZINC001111443360 1017104613 /nfs/dbraw/zinc/10/46/13/1017104613.db2.gz ILPGACGIKOQVQV-MHTWAQMVSA-N 1 2 362.477 2.976 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001055223620 1017178165 /nfs/dbraw/zinc/17/81/65/1017178165.db2.gz KSRIBDMPLHQVRI-WDHIOAMHSA-N 1 2 370.497 2.555 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)cccc2C1 ZINC001051295104 1017273179 /nfs/dbraw/zinc/27/31/79/1017273179.db2.gz YFYRGTQYIZCGTD-RMMWZPCPSA-N 1 2 372.896 2.837 20 30 FFEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)cccc2C1 ZINC001051295104 1017273185 /nfs/dbraw/zinc/27/31/85/1017273185.db2.gz YFYRGTQYIZCGTD-RMMWZPCPSA-N 1 2 372.896 2.837 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(OCCOC)c1)C2 ZINC001111447575 1017347270 /nfs/dbraw/zinc/34/72/70/1017347270.db2.gz YBFWWMQHBWBSJA-NXHRZFHOSA-N 1 2 364.873 2.799 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(OCCOC)c1)C2 ZINC001111447575 1017347277 /nfs/dbraw/zinc/34/72/77/1017347277.db2.gz YBFWWMQHBWBSJA-NXHRZFHOSA-N 1 2 364.873 2.799 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001055462620 1017552888 /nfs/dbraw/zinc/55/28/88/1017552888.db2.gz OUMXQKDSAKRQHZ-QQXKLLMISA-N 1 2 370.497 2.555 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(C)cc1 ZINC001110897334 1017561592 /nfs/dbraw/zinc/56/15/92/1017561592.db2.gz IWDPICPEAULDBY-KURKYZTESA-N 1 2 355.482 2.867 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(C)cc1 ZINC001110897334 1017561602 /nfs/dbraw/zinc/56/16/02/1017561602.db2.gz IWDPICPEAULDBY-KURKYZTESA-N 1 2 355.482 2.867 20 30 FFEDLO Cc1cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc4c[nH+]ccc4[nH]2)C3)c(C#N)cn1 ZINC001055471419 1017570512 /nfs/dbraw/zinc/57/05/12/1017570512.db2.gz UHJSZJANCCKKEO-SUMDDJOVSA-N 1 2 372.432 2.678 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3ccnc3c1)C2 ZINC001097527621 1017599681 /nfs/dbraw/zinc/59/96/81/1017599681.db2.gz KSBPNWBXPFDDGK-AQNXPRMDSA-N 1 2 371.444 2.741 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3ccnc3c1)C2 ZINC001097527621 1017599691 /nfs/dbraw/zinc/59/96/91/1017599691.db2.gz KSBPNWBXPFDDGK-AQNXPRMDSA-N 1 2 371.444 2.741 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCc2ccccc21 ZINC001110899601 1017654680 /nfs/dbraw/zinc/65/46/80/1017654680.db2.gz JLZLFKOPXDDFJZ-LMMKCTJWSA-N 1 2 367.493 2.509 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCc2ccccc21 ZINC001110899601 1017654689 /nfs/dbraw/zinc/65/46/89/1017654689.db2.gz JLZLFKOPXDDFJZ-LMMKCTJWSA-N 1 2 367.493 2.509 20 30 FFEDLO CCc1c2ccccc2oc1C(=O)N1C[C@H]2CC[N@H+](CC#CCOC)C[C@H]21 ZINC001222062003 1032717991 /nfs/dbraw/zinc/71/79/91/1032717991.db2.gz FISHRSDWSYXCIT-VQIMIIECSA-N 1 2 366.461 2.791 20 30 FFEDLO CCc1c2ccccc2oc1C(=O)N1C[C@H]2CC[N@@H+](CC#CCOC)C[C@H]21 ZINC001222062003 1032717993 /nfs/dbraw/zinc/71/79/93/1032717993.db2.gz FISHRSDWSYXCIT-VQIMIIECSA-N 1 2 366.461 2.791 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccccc2o1 ZINC001097879227 1018146481 /nfs/dbraw/zinc/14/64/81/1018146481.db2.gz HKZXMWQPJGNHGT-XQZMSQOBSA-N 1 2 367.449 2.640 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccccc2o1 ZINC001097879227 1018146492 /nfs/dbraw/zinc/14/64/92/1018146492.db2.gz HKZXMWQPJGNHGT-XQZMSQOBSA-N 1 2 367.449 2.640 20 30 FFEDLO CC(C)[C@@H](C)CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001217487475 1032752681 /nfs/dbraw/zinc/75/26/81/1032752681.db2.gz NOWQYXPNGKUHET-SESVDKBCSA-N 1 2 354.494 2.632 20 30 FFEDLO CC(C)[C@@H](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001217487475 1032752692 /nfs/dbraw/zinc/75/26/92/1032752692.db2.gz NOWQYXPNGKUHET-SESVDKBCSA-N 1 2 354.494 2.632 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(O)cc1 ZINC001110934767 1018711135 /nfs/dbraw/zinc/71/11/35/1018711135.db2.gz MUGQVVXWXQVYSJ-OPNNQBFTSA-N 1 2 371.481 2.655 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(O)cc1 ZINC001110934767 1018711148 /nfs/dbraw/zinc/71/11/48/1018711148.db2.gz MUGQVVXWXQVYSJ-OPNNQBFTSA-N 1 2 371.481 2.655 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccnc(OC)n4)C[C@H]32)CCCC1 ZINC001222143283 1032785843 /nfs/dbraw/zinc/78/58/43/1032785843.db2.gz ZYYJYRLYLSDKFM-SJLPKXTDSA-N 1 2 370.497 2.654 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccnc(OC)n4)C[C@H]32)CCCC1 ZINC001222143283 1032785858 /nfs/dbraw/zinc/78/58/58/1032785858.db2.gz ZYYJYRLYLSDKFM-SJLPKXTDSA-N 1 2 370.497 2.654 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001067803850 1019138843 /nfs/dbraw/zinc/13/88/43/1019138843.db2.gz QZLHUCCHIBOJBO-AOIWGVFYSA-N 1 2 358.486 2.584 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)[C@H](C#N)C(=O)Nc1ccccc1 ZINC000796632355 1019220389 /nfs/dbraw/zinc/22/03/89/1019220389.db2.gz KIYDQHNRVHZOSL-ZDUSSCGKSA-N 1 2 368.343 2.971 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(F)ccc1OC)C2 ZINC001098083778 1019367923 /nfs/dbraw/zinc/36/79/23/1019367923.db2.gz KJDLTZGVKAMEKD-OAGGEKHMSA-N 1 2 352.837 2.851 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(F)ccc1OC)C2 ZINC001098083778 1019367938 /nfs/dbraw/zinc/36/79/38/1019367938.db2.gz KJDLTZGVKAMEKD-OAGGEKHMSA-N 1 2 352.837 2.851 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2ccco2)C3)c1 ZINC001096214320 1019400606 /nfs/dbraw/zinc/40/06/06/1019400606.db2.gz UBLJSRMOHUDIDU-MNEFBYGVSA-N 1 2 353.397 2.755 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2ccco2)C3)c1 ZINC001096214320 1019400611 /nfs/dbraw/zinc/40/06/11/1019400611.db2.gz UBLJSRMOHUDIDU-MNEFBYGVSA-N 1 2 353.397 2.755 20 30 FFEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)CC3(C#N)CCOCC3)CC2)cc1 ZINC000828768471 1032828350 /nfs/dbraw/zinc/82/83/50/1032828350.db2.gz QHMWXNATWCTULK-UHFFFAOYSA-N 1 2 370.497 2.548 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1N(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001069289362 1019411849 /nfs/dbraw/zinc/41/18/49/1019411849.db2.gz YTRNELIIFLTZNI-WKRCXCSHSA-N 1 2 370.497 2.611 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CC[C@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cn1 ZINC001047587788 1019421460 /nfs/dbraw/zinc/42/14/60/1019421460.db2.gz ZKAUYDMFQYWWFF-DZGCQCFKSA-N 1 2 360.421 2.840 20 30 FFEDLO Cc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095943633 1019439779 /nfs/dbraw/zinc/43/97/79/1019439779.db2.gz COUPUBPSPSDWAB-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095943633 1019439786 /nfs/dbraw/zinc/43/97/86/1019439786.db2.gz COUPUBPSPSDWAB-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](Nc3cc(C)[nH+]c(C(C)C)n3)C2)c1 ZINC001043511806 1019475864 /nfs/dbraw/zinc/47/58/64/1019475864.db2.gz VXAVTHNKAQTRAF-RDTXWAMCSA-N 1 2 363.465 2.857 20 30 FFEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc3cccc(Cl)c3o2)[C@@H](n2ccnn2)C1 ZINC001070111375 1019813685 /nfs/dbraw/zinc/81/36/85/1019813685.db2.gz GMHGEINQPQVSJK-CABCVRRESA-N 1 2 371.828 2.519 20 30 FFEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc3cccc(Cl)c3o2)[C@@H](n2ccnn2)C1 ZINC001070111375 1019813700 /nfs/dbraw/zinc/81/37/00/1019813700.db2.gz GMHGEINQPQVSJK-CABCVRRESA-N 1 2 371.828 2.519 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)[nH]1 ZINC001096028701 1019963762 /nfs/dbraw/zinc/96/37/62/1019963762.db2.gz RFYATRYGBRSKEM-NJAFHUGGSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)[nH]1 ZINC001096028701 1019963770 /nfs/dbraw/zinc/96/37/70/1019963770.db2.gz RFYATRYGBRSKEM-NJAFHUGGSA-N 1 2 367.428 2.573 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1 ZINC001110989700 1020023187 /nfs/dbraw/zinc/02/31/87/1020023187.db2.gz SMEXIBZZMHSKCE-NXWNEQKCSA-N 1 2 369.509 2.627 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1 ZINC001110989700 1020023201 /nfs/dbraw/zinc/02/32/01/1020023201.db2.gz SMEXIBZZMHSKCE-NXWNEQKCSA-N 1 2 369.509 2.627 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(Cl)c1 ZINC001096034752 1020023440 /nfs/dbraw/zinc/02/34/40/1020023440.db2.gz TUIJMXJMEUGGJI-NRKLIOEPSA-N 1 2 361.873 2.548 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(Cl)c1 ZINC001096034752 1020023446 /nfs/dbraw/zinc/02/34/46/1020023446.db2.gz TUIJMXJMEUGGJI-NRKLIOEPSA-N 1 2 361.873 2.548 20 30 FFEDLO CC(C)(C)OC(=O)N1CCn2cc(C[N@@H+]3CCC[C@@H](CC#N)C3)nc2C1 ZINC001137518649 1020237947 /nfs/dbraw/zinc/23/79/47/1020237947.db2.gz VWQOTHUYCXAQBN-HNNXBMFYSA-N 1 2 359.474 2.759 20 30 FFEDLO CC(C)(C)OC(=O)N1CCn2cc(C[N@H+]3CCC[C@@H](CC#N)C3)nc2C1 ZINC001137518649 1020237957 /nfs/dbraw/zinc/23/79/57/1020237957.db2.gz VWQOTHUYCXAQBN-HNNXBMFYSA-N 1 2 359.474 2.759 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(F)c2)cn1 ZINC001096379558 1020289331 /nfs/dbraw/zinc/28/93/31/1020289331.db2.gz SBAJYWHFUCFQHB-UXPWSPDFSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(F)c2)cn1 ZINC001096379558 1020289338 /nfs/dbraw/zinc/28/93/38/1020289338.db2.gz SBAJYWHFUCFQHB-UXPWSPDFSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccnc(Cl)c2)cn1 ZINC001096382356 1020304325 /nfs/dbraw/zinc/30/43/25/1020304325.db2.gz IMOWGOVMZFLDDC-SQNIBIBYSA-N 1 2 366.852 2.647 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccnc(Cl)c2)cn1 ZINC001096382356 1020304330 /nfs/dbraw/zinc/30/43/30/1020304330.db2.gz IMOWGOVMZFLDDC-SQNIBIBYSA-N 1 2 366.852 2.647 20 30 FFEDLO C[C@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)Cc2c[nH]nc21 ZINC000931458167 1020476662 /nfs/dbraw/zinc/47/66/62/1020476662.db2.gz CAHXHDPRJDVFGC-WFASDCNBSA-N 1 2 358.405 2.566 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)Cc2c[nH]nc21 ZINC000931458167 1020476667 /nfs/dbraw/zinc/47/66/67/1020476667.db2.gz CAHXHDPRJDVFGC-WFASDCNBSA-N 1 2 358.405 2.566 20 30 FFEDLO C[C@@H](c1cccc(NC(=O)c2cccc(C#CCO)c2)c1)[NH+]1CCOCC1 ZINC000900577422 1020516189 /nfs/dbraw/zinc/51/61/89/1020516189.db2.gz TYAVRHJVFGXESV-KRWDZBQOSA-N 1 2 364.445 2.676 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)o1 ZINC001096432792 1020563602 /nfs/dbraw/zinc/56/36/02/1020563602.db2.gz DDXRBXOKJFJRCY-AABGKKOBSA-N 1 2 363.461 2.737 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)o1 ZINC001096432792 1020563605 /nfs/dbraw/zinc/56/36/05/1020563605.db2.gz DDXRBXOKJFJRCY-AABGKKOBSA-N 1 2 363.461 2.737 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC001074067824 1020632231 /nfs/dbraw/zinc/63/22/31/1020632231.db2.gz TWIBDTRWWWAAKS-KURKYZTESA-N 1 2 361.486 2.695 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nc(C)c(C)o1 ZINC001074067824 1020632234 /nfs/dbraw/zinc/63/22/34/1020632234.db2.gz TWIBDTRWWWAAKS-KURKYZTESA-N 1 2 361.486 2.695 20 30 FFEDLO Cc1nc([C@H]2CC[N@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)no1 ZINC000931947371 1020641214 /nfs/dbraw/zinc/64/12/14/1020641214.db2.gz SCZHGQJVDAEQAX-HNNXBMFYSA-N 1 2 363.421 2.919 20 30 FFEDLO Cc1nc([C@H]2CC[N@@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)no1 ZINC000931947371 1020641217 /nfs/dbraw/zinc/64/12/17/1020641217.db2.gz SCZHGQJVDAEQAX-HNNXBMFYSA-N 1 2 363.421 2.919 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)o1 ZINC001098160154 1020698004 /nfs/dbraw/zinc/69/80/04/1020698004.db2.gz YOFJPYNMPUQIOX-QRVBRYPASA-N 1 2 363.461 2.932 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)o1 ZINC001098160154 1020698007 /nfs/dbraw/zinc/69/80/07/1020698007.db2.gz YOFJPYNMPUQIOX-QRVBRYPASA-N 1 2 363.461 2.932 20 30 FFEDLO C/C(=C/C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C[NH+]1CCOCC1 ZINC000900905406 1020713017 /nfs/dbraw/zinc/71/30/17/1020713017.db2.gz SXQRICLMCXYATD-FBBFXVNXSA-N 1 2 353.466 2.563 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)c(C)s2)cn1 ZINC001098244603 1020758001 /nfs/dbraw/zinc/75/80/01/1020758001.db2.gz MBDPWQUPSVVQCW-KURKYZTESA-N 1 2 366.490 2.672 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)c(C)s2)cn1 ZINC001098244603 1020758008 /nfs/dbraw/zinc/75/80/08/1020758008.db2.gz MBDPWQUPSVVQCW-KURKYZTESA-N 1 2 366.490 2.672 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cc(Cl)no1 ZINC001098258061 1020771818 /nfs/dbraw/zinc/77/18/18/1020771818.db2.gz NFAAIPLDXMEJQG-OAGGEKHMSA-N 1 2 355.825 2.715 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cc(Cl)no1 ZINC001098258061 1020771823 /nfs/dbraw/zinc/77/18/23/1020771823.db2.gz NFAAIPLDXMEJQG-OAGGEKHMSA-N 1 2 355.825 2.715 20 30 FFEDLO C[C@H]([NH2+][C@H](c1ncccn1)C1CC1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000932357680 1020779060 /nfs/dbraw/zinc/77/90/60/1020779060.db2.gz DYDZVNMTSOVHOI-GLEGPSONSA-N 1 2 355.486 2.837 20 30 FFEDLO CCc1nc[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001098296207 1020799066 /nfs/dbraw/zinc/79/90/66/1020799066.db2.gz GZVXUCQANAIRSZ-OLMNPRSZSA-N 1 2 367.428 2.518 20 30 FFEDLO CCc1nc[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001098296207 1020799075 /nfs/dbraw/zinc/79/90/75/1020799075.db2.gz GZVXUCQANAIRSZ-OLMNPRSZSA-N 1 2 367.428 2.518 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001098318833 1020818636 /nfs/dbraw/zinc/81/86/36/1020818636.db2.gz ZWNNRBLJNJBWLT-ZVZYQTTQSA-N 1 2 358.486 2.950 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)cc1F ZINC000932509208 1020820197 /nfs/dbraw/zinc/82/01/97/1020820197.db2.gz IKWRBXVIBZXICQ-UHFFFAOYSA-N 1 2 351.385 2.601 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCO[C@@H]2C[N@@H+]([C@@H](C)c3cnc(C)cn3)C[C@@H]21 ZINC001217989133 1032938073 /nfs/dbraw/zinc/93/80/73/1032938073.db2.gz ZQYOHVCYPSVLGK-FFZOFVMBSA-N 1 2 370.497 2.526 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCO[C@@H]2C[N@H+]([C@@H](C)c3cnc(C)cn3)C[C@@H]21 ZINC001217989133 1032938087 /nfs/dbraw/zinc/93/80/87/1032938087.db2.gz ZQYOHVCYPSVLGK-FFZOFVMBSA-N 1 2 370.497 2.526 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001217997450 1032939481 /nfs/dbraw/zinc/93/94/81/1032939481.db2.gz GAJDAZQWTNJEBO-VQTJNVASSA-N 1 2 370.468 2.691 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001217997450 1032939484 /nfs/dbraw/zinc/93/94/84/1032939484.db2.gz GAJDAZQWTNJEBO-VQTJNVASSA-N 1 2 370.468 2.691 20 30 FFEDLO C#CCOc1cccc(Cl)c1C[NH2+]CC(=O)NCc1ccc(OC)cc1 ZINC000778165533 1020999861 /nfs/dbraw/zinc/99/98/61/1020999861.db2.gz RHPZRECMGVDVND-UHFFFAOYSA-N 1 2 372.852 2.767 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(F)ccc(F)c1Cl)C2 ZINC001111056450 1021041468 /nfs/dbraw/zinc/04/14/68/1021041468.db2.gz OYNSRJPBJVTUTI-DFBGVHRSSA-N 1 2 368.811 2.603 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(F)ccc(F)c1Cl)C2 ZINC001111056450 1021041471 /nfs/dbraw/zinc/04/14/71/1021041471.db2.gz OYNSRJPBJVTUTI-DFBGVHRSSA-N 1 2 368.811 2.603 20 30 FFEDLO N#Cc1ccc(C2CC[NH+](CC(=O)NCC(=O)c3cccs3)CC2)cc1 ZINC000933608804 1021044098 /nfs/dbraw/zinc/04/40/98/1021044098.db2.gz CUTQNKGDTHFMIN-UHFFFAOYSA-N 1 2 367.474 2.798 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@H+](CCC(=O)Nc3cc(N)ccc3F)CCO2)cc1 ZINC000933626513 1021052744 /nfs/dbraw/zinc/05/27/44/1021052744.db2.gz BASASRBAXNJETC-LJQANCHMSA-N 1 2 368.412 2.682 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@@H+](CCC(=O)Nc3cc(N)ccc3F)CCO2)cc1 ZINC000933626513 1021052752 /nfs/dbraw/zinc/05/27/52/1021052752.db2.gz BASASRBAXNJETC-LJQANCHMSA-N 1 2 368.412 2.682 20 30 FFEDLO C[C@@H](Cc1ccncc1)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000749844264 1021053213 /nfs/dbraw/zinc/05/32/13/1021053213.db2.gz IEFZOUIVYXHUOR-AWEZNQCLSA-N 1 2 361.449 2.672 20 30 FFEDLO Cc1ccc(SCCNC(=O)C[NH+]2CCC3(CC2)CC(=O)C=CO3)cc1 ZINC000933653032 1021060139 /nfs/dbraw/zinc/06/01/39/1021060139.db2.gz ASTJORJMTYXLBX-UHFFFAOYSA-N 1 2 374.506 2.541 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCOC[C@@H]1C[C@H]1CCCO1)c1ccccc1 ZINC000933690597 1021070515 /nfs/dbraw/zinc/07/05/15/1021070515.db2.gz VVYSBKMRHWLWPT-PWRODBHTSA-N 1 2 356.466 2.697 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCOC[C@@H]1C[C@H]1CCCO1)c1ccccc1 ZINC000933690597 1021070521 /nfs/dbraw/zinc/07/05/21/1021070521.db2.gz VVYSBKMRHWLWPT-PWRODBHTSA-N 1 2 356.466 2.697 20 30 FFEDLO C#CCOCC[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC001116396806 1021196219 /nfs/dbraw/zinc/19/62/19/1021196219.db2.gz QFEBRNLWZVDZRC-INIZCTEOSA-N 1 2 371.462 2.600 20 30 FFEDLO C#CCOCC[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC001116396806 1021196226 /nfs/dbraw/zinc/19/62/26/1021196226.db2.gz QFEBRNLWZVDZRC-INIZCTEOSA-N 1 2 371.462 2.600 20 30 FFEDLO Cc1c[nH]nc1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001098830108 1021203754 /nfs/dbraw/zinc/20/37/54/1021203754.db2.gz APVKDKYUOUZMLY-JXFKEZNVSA-N 1 2 367.428 2.513 20 30 FFEDLO Cc1c[nH]nc1C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001098830108 1021203764 /nfs/dbraw/zinc/20/37/64/1021203764.db2.gz APVKDKYUOUZMLY-JXFKEZNVSA-N 1 2 367.428 2.513 20 30 FFEDLO CN1CCc2cc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc21 ZINC000778303849 1021577368 /nfs/dbraw/zinc/57/73/68/1021577368.db2.gz HECZUHMCJYJPLJ-UHFFFAOYSA-N 1 2 360.461 2.509 20 30 FFEDLO Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cc(F)ccc2C#N)C3)n1 ZINC001099067002 1021700532 /nfs/dbraw/zinc/70/05/32/1021700532.db2.gz MARQVXMINAFSKB-JXFKEZNVSA-N 1 2 367.428 2.513 20 30 FFEDLO Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cc(F)ccc2C#N)C3)n1 ZINC001099067002 1021700540 /nfs/dbraw/zinc/70/05/40/1021700540.db2.gz MARQVXMINAFSKB-JXFKEZNVSA-N 1 2 367.428 2.513 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3ccco3)C2)c1 ZINC001015738037 1021958340 /nfs/dbraw/zinc/95/83/40/1021958340.db2.gz YWMTWWRFIKXOAQ-GVDBMIGSSA-N 1 2 353.397 2.785 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3ccco3)C2)c1 ZINC001015738037 1021958351 /nfs/dbraw/zinc/95/83/51/1021958351.db2.gz YWMTWWRFIKXOAQ-GVDBMIGSSA-N 1 2 353.397 2.785 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)CCC1CCCC1)C2 ZINC001111153673 1022118571 /nfs/dbraw/zinc/11/85/71/1022118571.db2.gz PUMFZLFBTNGDSS-ZACQAIPSSA-N 1 2 367.921 2.547 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)CCC1CCCC1)C2 ZINC001111153673 1022118576 /nfs/dbraw/zinc/11/85/76/1022118576.db2.gz PUMFZLFBTNGDSS-ZACQAIPSSA-N 1 2 367.921 2.547 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC ZINC001017550865 1022248568 /nfs/dbraw/zinc/24/85/68/1022248568.db2.gz GZYPGBTYDYYDCP-WBQJQJEBSA-N 1 2 368.477 2.506 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC ZINC001017550865 1022248581 /nfs/dbraw/zinc/24/85/81/1022248581.db2.gz GZYPGBTYDYYDCP-WBQJQJEBSA-N 1 2 368.477 2.506 20 30 FFEDLO COCCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001111214296 1022439222 /nfs/dbraw/zinc/43/92/22/1022439222.db2.gz RRJJDJNFLHXETE-AQNXPRMDSA-N 1 2 372.484 2.961 20 30 FFEDLO COCCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001111214296 1022439227 /nfs/dbraw/zinc/43/92/27/1022439227.db2.gz RRJJDJNFLHXETE-AQNXPRMDSA-N 1 2 372.484 2.961 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCOc2ccccc2)CC1=O ZINC000119250439 1022558161 /nfs/dbraw/zinc/55/81/61/1022558161.db2.gz OACZPPJIUPYUKT-UHFFFAOYSA-N 1 2 362.433 2.725 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ccn2ccnc2c1 ZINC001095751861 1022730893 /nfs/dbraw/zinc/73/08/93/1022730893.db2.gz KILFSXJYWRWZCI-HKBOAZHASA-N 1 2 370.456 2.721 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ccn2ccnc2c1 ZINC001095751861 1022730906 /nfs/dbraw/zinc/73/09/06/1022730906.db2.gz KILFSXJYWRWZCI-HKBOAZHASA-N 1 2 370.456 2.721 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001099710978 1022781842 /nfs/dbraw/zinc/78/18/42/1022781842.db2.gz MFRGJWWDBABHOB-XCRHUMRWSA-N 1 2 358.486 2.562 20 30 FFEDLO CCOC(CO[NH+]=C(N)c1cccc(Cn2nc(C)cc2C)c1)OCC ZINC000188955612 1023175268 /nfs/dbraw/zinc/17/52/68/1023175268.db2.gz JKOPPGVURPKQAW-UHFFFAOYSA-N 1 2 360.458 2.584 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001122441184 1023270968 /nfs/dbraw/zinc/27/09/68/1023270968.db2.gz QGEWVFDWWFCFFL-DOTOQJQBSA-N 1 2 357.458 2.792 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001122441184 1023270976 /nfs/dbraw/zinc/27/09/76/1023270976.db2.gz QGEWVFDWWFCFFL-DOTOQJQBSA-N 1 2 357.458 2.792 20 30 FFEDLO C=C(C)Cn1c(N2CCC(C3CCC3)CC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001122481999 1023296907 /nfs/dbraw/zinc/29/69/07/1023296907.db2.gz JIZJTMHDPUXWEK-RXVVDRJESA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC(C3CCC3)CC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001122481999 1023296909 /nfs/dbraw/zinc/29/69/09/1023296909.db2.gz JIZJTMHDPUXWEK-RXVVDRJESA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)CC1CCCCC1)C2 ZINC001111512213 1023300981 /nfs/dbraw/zinc/30/09/81/1023300981.db2.gz ACNJMHHIWYCRNC-ZACQAIPSSA-N 1 2 367.921 2.547 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)CC1CCCCC1)C2 ZINC001111512213 1023300987 /nfs/dbraw/zinc/30/09/87/1023300987.db2.gz ACNJMHHIWYCRNC-ZACQAIPSSA-N 1 2 367.921 2.547 20 30 FFEDLO CCCCCC[N@H+](C)CC(=O)[C@@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC001122502184 1023306967 /nfs/dbraw/zinc/30/69/67/1023306967.db2.gz GDKPEVLHNUQUJL-MRXNPFEDSA-N 1 2 373.453 2.617 20 30 FFEDLO CCCCCC[N@@H+](C)CC(=O)[C@@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC001122502184 1023306975 /nfs/dbraw/zinc/30/69/75/1023306975.db2.gz GDKPEVLHNUQUJL-MRXNPFEDSA-N 1 2 373.453 2.617 20 30 FFEDLO CCCCCC[N@H+](C)CC(=O)[C@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC001122502183 1023307502 /nfs/dbraw/zinc/30/75/02/1023307502.db2.gz GDKPEVLHNUQUJL-INIZCTEOSA-N 1 2 373.453 2.617 20 30 FFEDLO CCCCCC[N@@H+](C)CC(=O)[C@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC001122502183 1023307508 /nfs/dbraw/zinc/30/75/08/1023307508.db2.gz GDKPEVLHNUQUJL-INIZCTEOSA-N 1 2 373.453 2.617 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001122623099 1023375946 /nfs/dbraw/zinc/37/59/46/1023375946.db2.gz PZEWVQGGYFLTSG-KSZLIROESA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001122623099 1023375953 /nfs/dbraw/zinc/37/59/53/1023375953.db2.gz PZEWVQGGYFLTSG-KSZLIROESA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c([C@@H](O)CC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001122627341 1023377520 /nfs/dbraw/zinc/37/75/20/1023377520.db2.gz RXLIDSSCCLRKNL-INIZCTEOSA-N 1 2 356.474 2.774 20 30 FFEDLO Cc1ccc(N2CCC[C@@H](O[NH+]=C(N)c3ccc4c(c3)CCO4)C2=O)cc1 ZINC000753831044 1023388179 /nfs/dbraw/zinc/38/81/79/1023388179.db2.gz VTUZMJAGKNCNGL-LJQANCHMSA-N 1 2 365.433 2.762 20 30 FFEDLO C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC[N@H+]3C)n2Cc2cccs2)C1 ZINC001122913965 1023551231 /nfs/dbraw/zinc/55/12/31/1023551231.db2.gz CDUJSFHNYXNEOB-RDJZCZTQSA-N 1 2 373.526 2.936 20 30 FFEDLO C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2Cc2cccs2)C1 ZINC001122913965 1023551236 /nfs/dbraw/zinc/55/12/36/1023551236.db2.gz CDUJSFHNYXNEOB-RDJZCZTQSA-N 1 2 373.526 2.936 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)[C@@H](C#N)c1ncc(Cl)n1C ZINC001123234481 1023699493 /nfs/dbraw/zinc/69/94/93/1023699493.db2.gz VSLJVKJDFDAYNJ-SECBINFHSA-N 1 2 363.755 2.886 20 30 FFEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC2(COC2)C1 ZINC001121582940 1023863462 /nfs/dbraw/zinc/86/34/62/1023863462.db2.gz YUZRPBQKKHXBHK-QGZVFWFLSA-N 1 2 367.497 2.884 20 30 FFEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC2(COC2)C1 ZINC001121582940 1023863467 /nfs/dbraw/zinc/86/34/67/1023863467.db2.gz YUZRPBQKKHXBHK-QGZVFWFLSA-N 1 2 367.497 2.884 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H]1c1ccc(O)cc1 ZINC001121619801 1023885078 /nfs/dbraw/zinc/88/50/78/1023885078.db2.gz CPNIDBSGVBZDSK-KRWDZBQOSA-N 1 2 364.453 2.836 20 30 FFEDLO N#C[C@H]1C[C@H]1c1nnc(N2CCC(Nc3cccc[nH+]3)CC2)n1CC1CC1 ZINC001123589817 1023886292 /nfs/dbraw/zinc/88/62/92/1023886292.db2.gz PQMTZUUVVRJNKD-NVXWUHKLSA-N 1 2 363.469 2.791 20 30 FFEDLO C=C(C)CN1c2ccccc2C2(CC[NH+]([C@H](C)C(=O)OCC)CC2)C1=O ZINC001276844515 1033172420 /nfs/dbraw/zinc/17/24/20/1033172420.db2.gz PBZJMRIVXHFTMN-MRXNPFEDSA-N 1 2 356.466 2.895 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CCCC4)no3)C[C@@]2(C)C1 ZINC001101167768 1023985301 /nfs/dbraw/zinc/98/53/01/1023985301.db2.gz SPKILZDDLABMQG-UZLBHIALSA-N 1 2 358.486 2.974 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CCCC4)no3)C[C@@]2(C)C1 ZINC001101167768 1023985315 /nfs/dbraw/zinc/98/53/15/1023985315.db2.gz SPKILZDDLABMQG-UZLBHIALSA-N 1 2 358.486 2.974 20 30 FFEDLO Cc1ccn(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(=O)c1C#N ZINC000758248378 1023993605 /nfs/dbraw/zinc/99/36/05/1023993605.db2.gz MIXWXJXDPIDTDK-CYBMUJFWSA-N 1 2 365.359 2.538 20 30 FFEDLO Cc1ccn(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(=O)c1C#N ZINC000758248378 1023993610 /nfs/dbraw/zinc/99/36/10/1023993610.db2.gz MIXWXJXDPIDTDK-CYBMUJFWSA-N 1 2 365.359 2.538 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001490861226 1024051842 /nfs/dbraw/zinc/05/18/42/1024051842.db2.gz IHAMXPZTMYMTIT-HBPKQKSZSA-N 1 2 368.481 2.508 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001490861226 1024051860 /nfs/dbraw/zinc/05/18/60/1024051860.db2.gz IHAMXPZTMYMTIT-HBPKQKSZSA-N 1 2 368.481 2.508 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001101249704 1024186300 /nfs/dbraw/zinc/18/63/00/1024186300.db2.gz JJAVWVPKJRMYFK-XPIZARPCSA-N 1 2 371.529 2.977 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001101249704 1024186305 /nfs/dbraw/zinc/18/63/05/1024186305.db2.gz JJAVWVPKJRMYFK-XPIZARPCSA-N 1 2 371.529 2.977 20 30 FFEDLO CCCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#CCOC)sc1C ZINC001111368270 1024445965 /nfs/dbraw/zinc/44/59/65/1024445965.db2.gz UKKMPWUNRKKDOU-KURKYZTESA-N 1 2 360.523 2.994 20 30 FFEDLO CCCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#CCOC)sc1C ZINC001111368270 1024445968 /nfs/dbraw/zinc/44/59/68/1024445968.db2.gz UKKMPWUNRKKDOU-KURKYZTESA-N 1 2 360.523 2.994 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(CC)s3)C[C@@]2(C)C1 ZINC001101336931 1024484519 /nfs/dbraw/zinc/48/45/19/1024484519.db2.gz WABOANHYEHQLBN-CLCXKQKWSA-N 1 2 362.543 2.983 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(CC)s3)C[C@@]2(C)C1 ZINC001101336931 1024484522 /nfs/dbraw/zinc/48/45/22/1024484522.db2.gz WABOANHYEHQLBN-CLCXKQKWSA-N 1 2 362.543 2.983 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000951699748 1024661719 /nfs/dbraw/zinc/66/17/19/1024661719.db2.gz MNPOCWBIEQCARA-IHPCNDPISA-N 1 2 358.457 2.938 20 30 FFEDLO C=CCCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(C(C)C)n3)C[C@@H]21 ZINC001218566037 1033223922 /nfs/dbraw/zinc/22/39/22/1033223922.db2.gz HGRKQRJGWPQKST-VQTJNVASSA-N 1 2 357.498 2.973 20 30 FFEDLO C=CCCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(C(C)C)n3)C[C@@H]21 ZINC001218566037 1033223930 /nfs/dbraw/zinc/22/39/30/1033223930.db2.gz HGRKQRJGWPQKST-VQTJNVASSA-N 1 2 357.498 2.973 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3n[nH]cc31)C2 ZINC001095848829 1024935745 /nfs/dbraw/zinc/93/57/45/1024935745.db2.gz FYJTVRQDIVNINH-CZAAIQMYSA-N 1 2 371.444 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3n[nH]cc31)C2 ZINC001095848829 1024935754 /nfs/dbraw/zinc/93/57/54/1024935754.db2.gz FYJTVRQDIVNINH-CZAAIQMYSA-N 1 2 371.444 2.970 20 30 FFEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000779877105 1025183702 /nfs/dbraw/zinc/18/37/02/1025183702.db2.gz LGMNVCJJICCREH-HXUWFJFHSA-N 1 2 368.437 2.750 20 30 FFEDLO C=CCCCCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C(C)C)[nH]n3)[C@H]2C1 ZINC001218666026 1033270468 /nfs/dbraw/zinc/27/04/68/1033270468.db2.gz PCCHCMYQVBEWQK-RBUKOAKNSA-N 1 2 360.502 2.805 20 30 FFEDLO C=CCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C(C)C)[nH]n3)[C@H]2C1 ZINC001218666026 1033270481 /nfs/dbraw/zinc/27/04/81/1033270481.db2.gz PCCHCMYQVBEWQK-RBUKOAKNSA-N 1 2 360.502 2.805 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001102004758 1025283690 /nfs/dbraw/zinc/28/36/90/1025283690.db2.gz CBBJMMFSIDRQPE-VXGBXAGGSA-N 1 2 356.417 2.794 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001102004758 1025283701 /nfs/dbraw/zinc/28/37/01/1025283701.db2.gz CBBJMMFSIDRQPE-VXGBXAGGSA-N 1 2 356.417 2.794 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001102264477 1025665172 /nfs/dbraw/zinc/66/51/72/1025665172.db2.gz MDDJFQGSNFOREV-RBSFLKMASA-N 1 2 366.531 2.723 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001102264477 1025665181 /nfs/dbraw/zinc/66/51/81/1025665181.db2.gz MDDJFQGSNFOREV-RBSFLKMASA-N 1 2 366.531 2.723 20 30 FFEDLO C=CCO[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001102609491 1026423547 /nfs/dbraw/zinc/42/35/47/1026423547.db2.gz BDFMKADFOAJHTC-FRRDWIJNSA-N 1 2 357.907 2.572 20 30 FFEDLO C=CCO[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001102609491 1026423551 /nfs/dbraw/zinc/42/35/51/1026423551.db2.gz BDFMKADFOAJHTC-FRRDWIJNSA-N 1 2 357.907 2.572 20 30 FFEDLO C#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)cc1 ZINC000838641798 1026452404 /nfs/dbraw/zinc/45/24/04/1026452404.db2.gz BNPFXNXEERQHHT-UHFFFAOYSA-N 1 2 363.461 2.704 20 30 FFEDLO C[C@H]1Cc2ccccc2C[N@@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000246801583 1026459424 /nfs/dbraw/zinc/45/94/24/1026459424.db2.gz BCASKSCBYKHKDW-NYHFZMIOSA-N 1 2 374.444 2.730 20 30 FFEDLO C[C@H]1Cc2ccccc2C[N@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000246801583 1026459429 /nfs/dbraw/zinc/45/94/29/1026459429.db2.gz BCASKSCBYKHKDW-NYHFZMIOSA-N 1 2 374.444 2.730 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ncccn2)c(OC)c1 ZINC000639838293 1026491940 /nfs/dbraw/zinc/49/19/40/1026491940.db2.gz DTSFGSLVOFFWDY-ROUUACIJSA-N 1 2 369.465 2.791 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ncccn2)c(OC)c1 ZINC000639838293 1026491950 /nfs/dbraw/zinc/49/19/50/1026491950.db2.gz DTSFGSLVOFFWDY-ROUUACIJSA-N 1 2 369.465 2.791 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000839627065 1026764978 /nfs/dbraw/zinc/76/49/78/1026764978.db2.gz VYVYNTGKTNNHQT-QFBILLFUSA-N 1 2 362.433 2.725 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000839627065 1026764989 /nfs/dbraw/zinc/76/49/89/1026764989.db2.gz VYVYNTGKTNNHQT-QFBILLFUSA-N 1 2 362.433 2.725 20 30 FFEDLO C[C@@H]1C[N@H+](C2CN(Cc3cc(C#N)ccc3Br)C2)C[C@H](C)O1 ZINC001141664535 1026782921 /nfs/dbraw/zinc/78/29/21/1026782921.db2.gz PFWMCMYGJWOYBW-BETUJISGSA-N 1 2 364.287 2.614 20 30 FFEDLO C[C@@H]1C[N@@H+](C2CN(Cc3cc(C#N)ccc3Br)C2)C[C@H](C)O1 ZINC001141664535 1026782926 /nfs/dbraw/zinc/78/29/26/1026782926.db2.gz PFWMCMYGJWOYBW-BETUJISGSA-N 1 2 364.287 2.614 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@H]1CCNC(=O)C#CC(C)(C)C ZINC001102964505 1026838503 /nfs/dbraw/zinc/83/85/03/1026838503.db2.gz KKVGFCGSUIIEMB-CHWSQXEVSA-N 1 2 368.428 2.631 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1CCNC(=O)C#CC(C)(C)C ZINC001102964505 1026838511 /nfs/dbraw/zinc/83/85/11/1026838511.db2.gz KKVGFCGSUIIEMB-CHWSQXEVSA-N 1 2 368.428 2.631 20 30 FFEDLO C[C@@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)[C@@H]1c1ccccc1 ZINC000247359743 1026948915 /nfs/dbraw/zinc/94/89/15/1026948915.db2.gz CAYKCYNGPKCPAC-MPHOGZCYSA-N 1 2 374.444 2.976 20 30 FFEDLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)[C@@H]1c1ccccc1 ZINC000247359743 1026948921 /nfs/dbraw/zinc/94/89/21/1026948921.db2.gz CAYKCYNGPKCPAC-MPHOGZCYSA-N 1 2 374.444 2.976 20 30 FFEDLO C=CCn1cccc1C(=O)NCC[C@@H]1C[N@H+](Cc2noc(CC)n2)C[C@H]1C ZINC001103088663 1026949932 /nfs/dbraw/zinc/94/99/32/1026949932.db2.gz MJDSXOFVTOUVRD-HZPDHXFCSA-N 1 2 371.485 2.508 20 30 FFEDLO C=CCn1cccc1C(=O)NCC[C@@H]1C[N@@H+](Cc2noc(CC)n2)C[C@H]1C ZINC001103088663 1026949942 /nfs/dbraw/zinc/94/99/42/1026949942.db2.gz MJDSXOFVTOUVRD-HZPDHXFCSA-N 1 2 371.485 2.508 20 30 FFEDLO Cc1nc(C#N)cnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001158550970 1027059179 /nfs/dbraw/zinc/05/91/79/1027059179.db2.gz CPTDLIFCKRKYPG-MRXNPFEDSA-N 1 2 361.371 2.910 20 30 FFEDLO Cc1nc(C#N)cnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001158550970 1027059187 /nfs/dbraw/zinc/05/91/87/1027059187.db2.gz CPTDLIFCKRKYPG-MRXNPFEDSA-N 1 2 361.371 2.910 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001141980382 1027240722 /nfs/dbraw/zinc/24/07/22/1027240722.db2.gz RGOUGVGDAPKAPS-UHFFFAOYSA-N 1 2 360.417 2.969 20 30 FFEDLO NC(Cc1cccnc1)=[NH+]OCc1cccc(C(=O)N2CCCCC2)c1 ZINC000092914933 1027504701 /nfs/dbraw/zinc/50/47/01/1027504701.db2.gz ABUDLFSULVQUPA-UHFFFAOYSA-N 1 2 352.438 2.739 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2ccc3ncc(Br)cc3c2)CC1 ZINC001153976328 1028093842 /nfs/dbraw/zinc/09/38/42/1028093842.db2.gz LUJMZHVWIRWCTH-UHFFFAOYSA-N 1 2 360.255 2.941 20 30 FFEDLO COc1ccc(Cn2c[nH+]cc2CNc2nc(Cl)nc(C)c2C#N)cc1 ZINC001161507122 1028206943 /nfs/dbraw/zinc/20/69/43/1028206943.db2.gz IUHBEUQZINHQHZ-UHFFFAOYSA-N 1 2 368.828 2.598 20 30 FFEDLO CCCN1C(=O)CC[C@@H](C(=O)OCCC(C)(C)C#N)[C@@H]1c1c[nH+]cn1C ZINC000796087704 1028457728 /nfs/dbraw/zinc/45/77/28/1028457728.db2.gz HVWSGDRHLFJKGU-RHSMWYFYSA-N 1 2 360.458 2.593 20 30 FFEDLO CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000796157876 1028601690 /nfs/dbraw/zinc/60/16/90/1028601690.db2.gz LZYGSLFIPTWLPI-GOSISDBHSA-N 1 2 372.469 2.878 20 30 FFEDLO CCCCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000796157876 1028601695 /nfs/dbraw/zinc/60/16/95/1028601695.db2.gz LZYGSLFIPTWLPI-GOSISDBHSA-N 1 2 372.469 2.878 20 30 FFEDLO N#Cc1ccc([C@H](O)C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000780908301 1028861641 /nfs/dbraw/zinc/86/16/41/1028861641.db2.gz YBZATDHLGFIAGV-IBGZPJMESA-N 1 2 362.389 2.506 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1coc(C2CC2)n1 ZINC001155757460 1028895716 /nfs/dbraw/zinc/89/57/16/1028895716.db2.gz QHSRCBJDQMCGGB-JLSDUUJJSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1coc(C2CC2)n1 ZINC001155757460 1028895737 /nfs/dbraw/zinc/89/57/37/1028895737.db2.gz QHSRCBJDQMCGGB-JLSDUUJJSA-N 1 2 361.486 2.860 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc3ccccc3c(=O)[nH]1)C2 ZINC001111650407 1029049854 /nfs/dbraw/zinc/04/98/54/1029049854.db2.gz QGZOKWKIKJPVDS-BTYIYWSLSA-N 1 2 366.465 2.772 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc3ccccc3c(=O)[nH]1)C2 ZINC001111650407 1029049864 /nfs/dbraw/zinc/04/98/64/1029049864.db2.gz QGZOKWKIKJPVDS-BTYIYWSLSA-N 1 2 366.465 2.772 20 30 FFEDLO N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[NH2+]CC(F)(F)C2)c1 ZINC001164502575 1029302540 /nfs/dbraw/zinc/30/25/40/1029302540.db2.gz YCIRELSTHSUKJJ-UHFFFAOYSA-N 1 2 365.771 2.839 20 30 FFEDLO CCCCc1noc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)n1 ZINC001111741613 1029305544 /nfs/dbraw/zinc/30/55/44/1029305544.db2.gz HPXHJFZQCYQFPW-WJPUGNRLSA-N 1 2 370.497 2.857 20 30 FFEDLO CCCCc1noc([C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)n1 ZINC001111741613 1029305558 /nfs/dbraw/zinc/30/55/58/1029305558.db2.gz HPXHJFZQCYQFPW-WJPUGNRLSA-N 1 2 370.497 2.857 20 30 FFEDLO CCN(CC)C(=O)[C@H](C)Nc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001164609918 1029343195 /nfs/dbraw/zinc/34/31/95/1029343195.db2.gz BEENATZQJFEBST-OOMMSSQISA-N 1 2 366.531 2.940 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1c1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001164660088 1029348567 /nfs/dbraw/zinc/34/85/67/1029348567.db2.gz AUFHAITXPOVXSN-OAHLLOKOSA-N 1 2 353.857 2.978 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1C(C)C)C2 ZINC001111762089 1029373779 /nfs/dbraw/zinc/37/37/79/1029373779.db2.gz ZQYURODNGVZRFS-JXFKEZNVSA-N 1 2 359.518 2.932 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1C(C)C)C2 ZINC001111762089 1029373791 /nfs/dbraw/zinc/37/37/91/1029373791.db2.gz ZQYURODNGVZRFS-JXFKEZNVSA-N 1 2 359.518 2.932 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nn(CC)nc1C)C2 ZINC001111762660 1029376679 /nfs/dbraw/zinc/37/66/79/1029376679.db2.gz IDGRCSYWHYXYES-JXFKEZNVSA-N 1 2 359.518 2.679 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nn(CC)nc1C)C2 ZINC001111762660 1029376690 /nfs/dbraw/zinc/37/66/90/1029376690.db2.gz IDGRCSYWHYXYES-JXFKEZNVSA-N 1 2 359.518 2.679 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cscn1)C2)OCC ZINC001111766743 1029387601 /nfs/dbraw/zinc/38/76/01/1029387601.db2.gz AOOXKZBXJHOGBB-WDYCEAGBSA-N 1 2 363.527 2.985 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cscn1)C2)OCC ZINC001111766743 1029387605 /nfs/dbraw/zinc/38/76/05/1029387605.db2.gz AOOXKZBXJHOGBB-WDYCEAGBSA-N 1 2 363.527 2.985 20 30 FFEDLO COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1ncc(C)cc1C#N ZINC001157502954 1029598549 /nfs/dbraw/zinc/59/85/49/1029598549.db2.gz AAVYEWADOLMLIG-IBGZPJMESA-N 1 2 364.449 2.516 20 30 FFEDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1ncc(C)cc1C#N ZINC001157502954 1029598558 /nfs/dbraw/zinc/59/85/58/1029598558.db2.gz AAVYEWADOLMLIG-IBGZPJMESA-N 1 2 364.449 2.516 20 30 FFEDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ncc(C)cc1C#N ZINC001157502955 1029598645 /nfs/dbraw/zinc/59/86/45/1029598645.db2.gz AAVYEWADOLMLIG-LJQANCHMSA-N 1 2 364.449 2.516 20 30 FFEDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ncc(C)cc1C#N ZINC001157502955 1029598654 /nfs/dbraw/zinc/59/86/54/1029598654.db2.gz AAVYEWADOLMLIG-LJQANCHMSA-N 1 2 364.449 2.516 20 30 FFEDLO COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1ccc(C#N)c(C)n1 ZINC001157505885 1029600209 /nfs/dbraw/zinc/60/02/09/1029600209.db2.gz NTODRLPRWCXGAP-IBGZPJMESA-N 1 2 364.449 2.516 20 30 FFEDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1ccc(C#N)c(C)n1 ZINC001157505885 1029600214 /nfs/dbraw/zinc/60/02/14/1029600214.db2.gz NTODRLPRWCXGAP-IBGZPJMESA-N 1 2 364.449 2.516 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C(C)C)o1)C2 ZINC001111846257 1029609291 /nfs/dbraw/zinc/60/92/91/1029609291.db2.gz YKCPOCRWZWGFMM-JXFKEZNVSA-N 1 2 358.486 2.857 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C(C)C)o1)C2 ZINC001111846257 1029609292 /nfs/dbraw/zinc/60/92/92/1029609292.db2.gz YKCPOCRWZWGFMM-JXFKEZNVSA-N 1 2 358.486 2.857 20 30 FFEDLO COc1ccc2[nH+]c(N3CCN(c4nccnc4C#N)CC3)cc(C)c2c1 ZINC001166918769 1030575488 /nfs/dbraw/zinc/57/54/88/1030575488.db2.gz BROQPMLUZMIZFR-UHFFFAOYSA-N 1 2 360.421 2.540 20 30 FFEDLO Cc1ccc(F)c(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000842024848 1030581031 /nfs/dbraw/zinc/58/10/31/1030581031.db2.gz QUZQKRMWRYHGRN-UHFFFAOYSA-N 1 2 357.429 2.803 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2OC)C1 ZINC001203501807 1030729337 /nfs/dbraw/zinc/72/93/37/1030729337.db2.gz LNQZVLHAUMKXAY-HNNXBMFYSA-N 1 2 364.442 2.589 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2OC)C1 ZINC001203501807 1030729351 /nfs/dbraw/zinc/72/93/51/1030729351.db2.gz LNQZVLHAUMKXAY-HNNXBMFYSA-N 1 2 364.442 2.589 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ncc(Br)s3)C2)C1=O ZINC001142709181 1030745560 /nfs/dbraw/zinc/74/55/60/1030745560.db2.gz JVZUVZGLCHDTNY-HNNXBMFYSA-N 1 2 370.316 2.906 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+](Cc3ncc(Br)s3)C2)C1=O ZINC001142709181 1030745578 /nfs/dbraw/zinc/74/55/78/1030745578.db2.gz JVZUVZGLCHDTNY-HNNXBMFYSA-N 1 2 370.316 2.906 20 30 FFEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000797562850 1031152775 /nfs/dbraw/zinc/15/27/75/1031152775.db2.gz PKGDNSZWMOOCKP-UHFFFAOYSA-N 1 2 356.470 2.525 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)cc1 ZINC001204300717 1031216152 /nfs/dbraw/zinc/21/61/52/1031216152.db2.gz IRPGIBBNIWICCA-QGZVFWFLSA-N 1 2 362.470 2.665 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)cc1 ZINC001204300717 1031216160 /nfs/dbraw/zinc/21/61/60/1031216160.db2.gz IRPGIBBNIWICCA-QGZVFWFLSA-N 1 2 362.470 2.665 20 30 FFEDLO Cc1ccn(C[N@H+](CCc2ccccn2)Cc2ccncc2)c(=O)c1C#N ZINC000797825276 1031218676 /nfs/dbraw/zinc/21/86/76/1031218676.db2.gz UMBCKXJHYXGDIV-UHFFFAOYSA-N 1 2 359.433 2.521 20 30 FFEDLO Cc1ccn(C[N@@H+](CCc2ccccn2)Cc2ccncc2)c(=O)c1C#N ZINC000797825276 1031218687 /nfs/dbraw/zinc/21/86/87/1031218687.db2.gz UMBCKXJHYXGDIV-UHFFFAOYSA-N 1 2 359.433 2.521 20 30 FFEDLO N#Cc1ccccc1CN1Cc2c[nH+]cn2C[C@H](COc2ccccn2)C1 ZINC001204370143 1031258389 /nfs/dbraw/zinc/25/83/89/1031258389.db2.gz QZKGUVYXUUCWJI-QGZVFWFLSA-N 1 2 359.433 2.861 20 30 FFEDLO N#Cc1ccc(F)c(C[NH+]2CCC3(CC2)OC(=O)c2ccncc23)c1F ZINC001143175679 1031284474 /nfs/dbraw/zinc/28/44/74/1031284474.db2.gz FPMRZOHNCKJUKY-UHFFFAOYSA-N 1 2 355.344 2.893 20 30 FFEDLO Cc1nc(N[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)C)ccc1C#N ZINC001115369797 1031412715 /nfs/dbraw/zinc/41/27/15/1031412715.db2.gz KPQZVNSWRCLWGL-BRWVUGGUSA-N 1 2 366.469 2.731 20 30 FFEDLO Cc1nc(N[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)C)ccc1C#N ZINC001115369797 1031412722 /nfs/dbraw/zinc/41/27/22/1031412722.db2.gz KPQZVNSWRCLWGL-BRWVUGGUSA-N 1 2 366.469 2.731 20 30 FFEDLO C=CCC(CC=C)C(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001205144669 1031552804 /nfs/dbraw/zinc/55/28/04/1031552804.db2.gz KHTBDKHWXASDCR-WOJBJXKFSA-N 1 2 360.473 2.798 20 30 FFEDLO C=CCC(CC=C)C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001205144669 1031552815 /nfs/dbraw/zinc/55/28/15/1031552815.db2.gz KHTBDKHWXASDCR-WOJBJXKFSA-N 1 2 360.473 2.798 20 30 FFEDLO C#CCCN(Cc1ccc(OCC[NH+]2CCOCC2)cc1)CC(F)(F)F ZINC001205253985 1031631600 /nfs/dbraw/zinc/63/16/00/1031631600.db2.gz PLOORVQKTRGJKI-UHFFFAOYSA-N 1 2 370.415 2.785 20 30 FFEDLO CCC(CC)CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218844879 1033370867 /nfs/dbraw/zinc/37/08/67/1033370867.db2.gz NVRXLQHUSGJDAD-LEWJYISDSA-N 1 2 354.494 2.776 20 30 FFEDLO CCC(CC)CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218844879 1033370882 /nfs/dbraw/zinc/37/08/82/1033370882.db2.gz NVRXLQHUSGJDAD-LEWJYISDSA-N 1 2 354.494 2.776 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C(C)C)no3)[C@H]2C1 ZINC001223309489 1033385149 /nfs/dbraw/zinc/38/51/49/1033385149.db2.gz IZDYWHZDSLUNDO-SJORKVTESA-N 1 2 358.486 2.809 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C(C)C)no3)[C@H]2C1 ZINC001223309489 1033385154 /nfs/dbraw/zinc/38/51/54/1033385154.db2.gz IZDYWHZDSLUNDO-SJORKVTESA-N 1 2 358.486 2.809 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(C(C)(C)C)nn3)[C@H]2C1 ZINC001223406301 1033434164 /nfs/dbraw/zinc/43/41/64/1033434164.db2.gz VCNXDHTWNPCKQQ-AEFFLSMTSA-N 1 2 359.518 2.812 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3cn(C(C)(C)C)nn3)[C@H]2C1 ZINC001223406301 1033434174 /nfs/dbraw/zinc/43/41/74/1033434174.db2.gz VCNXDHTWNPCKQQ-AEFFLSMTSA-N 1 2 359.518 2.812 20 30 FFEDLO C=CCCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(CC)o4)[C@H]3C2)CC1 ZINC001223451683 1033451081 /nfs/dbraw/zinc/45/10/81/1033451081.db2.gz LHAPZVFQRWJZKA-CVEARBPZSA-N 1 2 358.486 2.801 20 30 FFEDLO C=CCCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc(CC)o4)[C@H]3C2)CC1 ZINC001223451683 1033451088 /nfs/dbraw/zinc/45/10/88/1033451088.db2.gz LHAPZVFQRWJZKA-CVEARBPZSA-N 1 2 358.486 2.801 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cnn3ccc(Cl)nc23)C1=O ZINC001276914534 1033561510 /nfs/dbraw/zinc/56/15/10/1033561510.db2.gz JUOGDYXICDRESS-GOSISDBHSA-N 1 2 359.861 2.526 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cnn3ccc(Cl)nc23)C1=O ZINC001276914534 1033561516 /nfs/dbraw/zinc/56/15/16/1033561516.db2.gz JUOGDYXICDRESS-GOSISDBHSA-N 1 2 359.861 2.526 20 30 FFEDLO CC1(C)C(=O)N(Cc2ccccc2)CC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000830338471 1033578852 /nfs/dbraw/zinc/57/88/52/1033578852.db2.gz JBRVTKQDEOGPRE-HXUWFJFHSA-N 1 2 363.461 2.715 20 30 FFEDLO CC1(C)C(=O)N(Cc2ccccc2)CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000830338471 1033578862 /nfs/dbraw/zinc/57/88/62/1033578862.db2.gz JBRVTKQDEOGPRE-HXUWFJFHSA-N 1 2 363.461 2.715 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cccc(OC(C)=O)c1 ZINC001138041476 1033613910 /nfs/dbraw/zinc/61/39/10/1033613910.db2.gz BZLCKCBAHMZZAA-LJQANCHMSA-N 1 2 355.438 2.647 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cccc(OC(C)=O)c1 ZINC001138041476 1033613919 /nfs/dbraw/zinc/61/39/19/1033613919.db2.gz BZLCKCBAHMZZAA-LJQANCHMSA-N 1 2 355.438 2.647 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CCc2cc(Cl)cc(Cl)c2)C[C@@H]1O ZINC001219539667 1033682167 /nfs/dbraw/zinc/68/21/67/1033682167.db2.gz VOVCZTPBSKIKHW-SJORKVTESA-N 1 2 369.292 2.501 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CCc2cc(Cl)cc(Cl)c2)C[C@@H]1O ZINC001219539667 1033682177 /nfs/dbraw/zinc/68/21/77/1033682177.db2.gz VOVCZTPBSKIKHW-SJORKVTESA-N 1 2 369.292 2.501 20 30 FFEDLO CCC[C@H](C)CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219700417 1033766438 /nfs/dbraw/zinc/76/64/38/1033766438.db2.gz QYVKMPWQPWVSKC-TYPHKJRUSA-N 1 2 356.510 2.806 20 30 FFEDLO CCC[C@H](C)CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219700417 1033766449 /nfs/dbraw/zinc/76/64/49/1033766449.db2.gz QYVKMPWQPWVSKC-TYPHKJRUSA-N 1 2 356.510 2.806 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC2(CCC2)O1 ZINC000830728405 1033767119 /nfs/dbraw/zinc/76/71/19/1033767119.db2.gz GYFCCXFGXLPVAU-ZBFHGGJFSA-N 1 2 362.433 2.867 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC2(CCC2)O1 ZINC000830728405 1033767133 /nfs/dbraw/zinc/76/71/33/1033767133.db2.gz GYFCCXFGXLPVAU-ZBFHGGJFSA-N 1 2 362.433 2.867 20 30 FFEDLO C=C[C@H](CC(=O)N1CC[C@H]2CC[N@H+](Cc3cnon3)[C@H]2C1)c1ccccc1 ZINC001224207168 1033771819 /nfs/dbraw/zinc/77/18/19/1033771819.db2.gz BMQYAMOQTABAJN-POAQFYNOSA-N 1 2 366.465 2.852 20 30 FFEDLO C=C[C@H](CC(=O)N1CC[C@H]2CC[N@@H+](Cc3cnon3)[C@H]2C1)c1ccccc1 ZINC001224207168 1033771833 /nfs/dbraw/zinc/77/18/33/1033771833.db2.gz BMQYAMOQTABAJN-POAQFYNOSA-N 1 2 366.465 2.852 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc3ccccc3o2)C[C@@H]1O ZINC001219706776 1033776337 /nfs/dbraw/zinc/77/63/37/1033776337.db2.gz NWPJUDPTFZYWNJ-BMFZPTHFSA-N 1 2 357.454 2.652 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc3ccccc3o2)C[C@@H]1O ZINC001219706776 1033776351 /nfs/dbraw/zinc/77/63/51/1033776351.db2.gz NWPJUDPTFZYWNJ-BMFZPTHFSA-N 1 2 357.454 2.652 20 30 FFEDLO N#CCCCC[N@H+]1C[C@]2(F)CN(Cc3cc(F)cc(F)c3)C(=O)[C@]2(F)C1 ZINC001276957286 1033777531 /nfs/dbraw/zinc/77/75/31/1033777531.db2.gz ZWMZLZRLAHNLSA-ZWKOTPCHSA-N 1 2 369.362 2.733 20 30 FFEDLO N#CCCCC[N@@H+]1C[C@]2(F)CN(Cc3cc(F)cc(F)c3)C(=O)[C@]2(F)C1 ZINC001276957286 1033777546 /nfs/dbraw/zinc/77/75/46/1033777546.db2.gz ZWMZLZRLAHNLSA-ZWKOTPCHSA-N 1 2 369.362 2.733 20 30 FFEDLO N#CCCCC[NH+]1CC2(C1)CN(CCCCc1ccccc1)C(=O)CO2 ZINC001276956747 1033777926 /nfs/dbraw/zinc/77/79/26/1033777926.db2.gz UJZYJZXLBOMXHS-UHFFFAOYSA-N 1 2 355.482 2.616 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3coc(C4CC4)n3)[C@H]2C1 ZINC001224281420 1033826044 /nfs/dbraw/zinc/82/60/44/1033826044.db2.gz ZCFWKVQPLJWQRN-RKVPGOIHSA-N 1 2 359.470 2.566 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3coc(C4CC4)n3)[C@H]2C1 ZINC001224281420 1033826062 /nfs/dbraw/zinc/82/60/62/1033826062.db2.gz ZCFWKVQPLJWQRN-RKVPGOIHSA-N 1 2 359.470 2.566 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2Cl)C[C@@H]1O ZINC001220201042 1034041972 /nfs/dbraw/zinc/04/19/72/1034041972.db2.gz DKWUSXDITWRGSM-BMFZPTHFSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2Cl)C[C@@H]1O ZINC001220201042 1034041989 /nfs/dbraw/zinc/04/19/89/1034041989.db2.gz DKWUSXDITWRGSM-BMFZPTHFSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001220203305 1034045088 /nfs/dbraw/zinc/04/50/88/1034045088.db2.gz CMAZHCSIPRXSJS-XKQJLSEDSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001220203305 1034045098 /nfs/dbraw/zinc/04/50/98/1034045098.db2.gz CMAZHCSIPRXSJS-XKQJLSEDSA-N 1 2 370.415 2.969 20 30 FFEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1cnc(F)cc1Cl)CC2 ZINC001277009324 1034073366 /nfs/dbraw/zinc/07/33/66/1034073366.db2.gz NTODFRNJRMSZAL-CQSZACIVSA-N 1 2 364.852 2.896 20 30 FFEDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C#N)cc1Cl ZINC001277030779 1034192473 /nfs/dbraw/zinc/19/24/73/1034192473.db2.gz JOPJLMJAGKVJMH-NXOUGTEYSA-N 1 2 359.857 2.754 20 30 FFEDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C#N)cc1Cl ZINC001277030779 1034192480 /nfs/dbraw/zinc/19/24/80/1034192480.db2.gz JOPJLMJAGKVJMH-NXOUGTEYSA-N 1 2 359.857 2.754 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000831695877 1034217850 /nfs/dbraw/zinc/21/78/50/1034217850.db2.gz WKVWBPRSOCDVJJ-UHFFFAOYSA-N 1 2 366.417 2.560 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)c(C#N)c1)C2 ZINC001277084447 1034457496 /nfs/dbraw/zinc/45/74/96/1034457496.db2.gz YULDQYAEIABHOL-FQEVSTJZSA-N 1 2 373.884 2.839 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)c(C#N)c1)C2 ZINC001277084447 1034457502 /nfs/dbraw/zinc/45/75/02/1034457502.db2.gz YULDQYAEIABHOL-FQEVSTJZSA-N 1 2 373.884 2.839 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@H](C)CCCCCC)C[C@H]21 ZINC001221430858 1034750368 /nfs/dbraw/zinc/75/03/68/1034750368.db2.gz RGRDLGLRDDJTIX-GUDVDZBRSA-N 1 2 363.546 2.960 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@H](C)CCCCCC)C[C@H]21 ZINC001221430858 1034750380 /nfs/dbraw/zinc/75/03/80/1034750380.db2.gz RGRDLGLRDDJTIX-GUDVDZBRSA-N 1 2 363.546 2.960 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](Cc3nnc(-c4cccc(F)c4)o3)C[C@H]21 ZINC001221431084 1034751248 /nfs/dbraw/zinc/75/12/48/1034751248.db2.gz ZIHACKOXJJRJNQ-NVXWUHKLSA-N 1 2 370.428 2.875 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](Cc3nnc(-c4cccc(F)c4)o3)C[C@H]21 ZINC001221431084 1034751260 /nfs/dbraw/zinc/75/12/60/1034751260.db2.gz ZIHACKOXJJRJNQ-NVXWUHKLSA-N 1 2 370.428 2.875 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C[C@H]21 ZINC001221471088 1034795784 /nfs/dbraw/zinc/79/57/84/1034795784.db2.gz MTYUTJWXVAHIHT-VQIMIIECSA-N 1 2 364.436 2.980 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C[C@H]21 ZINC001221471088 1034795799 /nfs/dbraw/zinc/79/57/99/1034795799.db2.gz MTYUTJWXVAHIHT-VQIMIIECSA-N 1 2 364.436 2.980 20 30 FFEDLO CS[C@H](C)CC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221486938 1034810712 /nfs/dbraw/zinc/81/07/12/1034810712.db2.gz DNBFUCIISISEGL-DDUZABMNSA-N 1 2 361.486 2.872 20 30 FFEDLO CS[C@H](C)CC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221486938 1034810717 /nfs/dbraw/zinc/81/07/17/1034810717.db2.gz DNBFUCIISISEGL-DDUZABMNSA-N 1 2 361.486 2.872 20 30 FFEDLO CO[C@H](C)CCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221499867 1034822628 /nfs/dbraw/zinc/82/26/28/1034822628.db2.gz HLOUBNPDLKEQRG-IDHHARJASA-N 1 2 359.445 2.545 20 30 FFEDLO CO[C@H](C)CCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221499867 1034822635 /nfs/dbraw/zinc/82/26/35/1034822635.db2.gz HLOUBNPDLKEQRG-IDHHARJASA-N 1 2 359.445 2.545 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C)cc3)C[C@H]21 ZINC001221512628 1034830200 /nfs/dbraw/zinc/83/02/00/1034830200.db2.gz IPDDYXIRHBUYMX-NLWGTHIKSA-N 1 2 367.493 2.658 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(C)cc3)C[C@H]21 ZINC001221512628 1034830203 /nfs/dbraw/zinc/83/02/03/1034830203.db2.gz IPDDYXIRHBUYMX-NLWGTHIKSA-N 1 2 367.493 2.658 20 30 FFEDLO CCO[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21)C(C)C ZINC001221537977 1034856623 /nfs/dbraw/zinc/85/66/23/1034856623.db2.gz OGWLVLVCNRHGMA-AQNXPRMDSA-N 1 2 355.482 2.652 20 30 FFEDLO CCO[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21)C(C)C ZINC001221537977 1034856631 /nfs/dbraw/zinc/85/66/31/1034856631.db2.gz OGWLVLVCNRHGMA-AQNXPRMDSA-N 1 2 355.482 2.652 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCCC(C)(C)C)C[C@H]21 ZINC001221578092 1034892718 /nfs/dbraw/zinc/89/27/18/1034892718.db2.gz SEQKUXXRXUZYQN-IAGOWNOFSA-N 1 2 363.546 2.674 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCCC(C)(C)C)C[C@H]21 ZINC001221578092 1034892723 /nfs/dbraw/zinc/89/27/23/1034892723.db2.gz SEQKUXXRXUZYQN-IAGOWNOFSA-N 1 2 363.546 2.674 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](Cc2cnn(CCC)c2)Cc2nnn(CC3CC3)c21 ZINC001139038740 1034900317 /nfs/dbraw/zinc/90/03/17/1034900317.db2.gz KPZDSLSPPZJKRV-GOSISDBHSA-N 1 2 370.501 2.597 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](Cc2cnn(CCC)c2)Cc2nnn(CC3CC3)c21 ZINC001139038740 1034900322 /nfs/dbraw/zinc/90/03/22/1034900322.db2.gz KPZDSLSPPZJKRV-GOSISDBHSA-N 1 2 370.501 2.597 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001221760300 1035045462 /nfs/dbraw/zinc/04/54/62/1035045462.db2.gz BMCRMGGMXLPYRQ-MBOZVWFJSA-N 1 2 356.514 2.854 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001221760300 1035045470 /nfs/dbraw/zinc/04/54/70/1035045470.db2.gz BMCRMGGMXLPYRQ-MBOZVWFJSA-N 1 2 356.514 2.854 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCc3ccc(C)cc3)C[C@H]21 ZINC001221783879 1035065186 /nfs/dbraw/zinc/06/51/86/1035065186.db2.gz WELIUSNLRUXBHU-WOJBJXKFSA-N 1 2 369.509 2.500 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCc3ccc(C)cc3)C[C@H]21 ZINC001221783879 1035065193 /nfs/dbraw/zinc/06/51/93/1035065193.db2.gz WELIUSNLRUXBHU-WOJBJXKFSA-N 1 2 369.509 2.500 20 30 FFEDLO COCCC[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221932311 1035165613 /nfs/dbraw/zinc/16/56/13/1035165613.db2.gz RTOZPZBGGJZSJV-NSISKUIASA-N 1 2 355.482 2.654 20 30 FFEDLO COCCC[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221932311 1035165616 /nfs/dbraw/zinc/16/56/16/1035165616.db2.gz RTOZPZBGGJZSJV-NSISKUIASA-N 1 2 355.482 2.654 20 30 FFEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1cc(C#N)ccc1F)C2 ZINC001139648894 1035189747 /nfs/dbraw/zinc/18/97/47/1035189747.db2.gz GHVKIZNMXXIMFB-UHFFFAOYSA-N 1 2 356.449 2.535 20 30 FFEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1cc(C#N)ccc1F)C2 ZINC001139648894 1035189750 /nfs/dbraw/zinc/18/97/50/1035189750.db2.gz GHVKIZNMXXIMFB-UHFFFAOYSA-N 1 2 356.449 2.535 20 30 FFEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC2(C[C@@H]2C(=O)N2CCOCC2)CC1 ZINC001139689971 1035198645 /nfs/dbraw/zinc/19/86/45/1035198645.db2.gz ZUDCKPKNAUVNRS-QGZVFWFLSA-N 1 2 373.884 2.673 20 30 FFEDLO CSc1ncc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)c(N)n1 ZINC001140252625 1035400443 /nfs/dbraw/zinc/40/04/43/1035400443.db2.gz VCUWWAHOIPSSJK-UHFFFAOYSA-N 1 2 355.467 2.696 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])ccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001227312984 1035503794 /nfs/dbraw/zinc/50/37/94/1035503794.db2.gz REEZYCYSTXQZRY-GOSISDBHSA-N 1 2 353.378 2.746 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])ccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001227312984 1035503797 /nfs/dbraw/zinc/50/37/97/1035503797.db2.gz REEZYCYSTXQZRY-GOSISDBHSA-N 1 2 353.378 2.746 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(C(=O)Oc4ccccc4)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227537647 1035600417 /nfs/dbraw/zinc/60/04/17/1035600417.db2.gz IQQLCBATAAFCHX-NCQGUEQISA-N 1 2 351.402 2.897 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(C(=O)Oc4ccccc4)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227537647 1035600428 /nfs/dbraw/zinc/60/04/28/1035600428.db2.gz IQQLCBATAAFCHX-NCQGUEQISA-N 1 2 351.402 2.897 20 30 FFEDLO N#CCC1C[NH+](Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)C1 ZINC001140564419 1035638285 /nfs/dbraw/zinc/63/82/85/1035638285.db2.gz FUKLHLLNFDELOA-UHFFFAOYSA-N 1 2 363.874 2.527 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4c(Br)cccc4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227694307 1035678253 /nfs/dbraw/zinc/67/82/53/1035678253.db2.gz FVCRCNIDUWNHIX-YUIIJCIJSA-N 1 2 361.239 2.989 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4c(Br)cccc4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227694307 1035678258 /nfs/dbraw/zinc/67/82/58/1035678258.db2.gz FVCRCNIDUWNHIX-YUIIJCIJSA-N 1 2 361.239 2.989 20 30 FFEDLO CCN(Cc1cc(C#N)ccn1)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001232482180 1035726171 /nfs/dbraw/zinc/72/61/71/1035726171.db2.gz RYLCWUQDTSDKOX-NRFANRHFSA-N 1 2 350.466 2.676 20 30 FFEDLO CCN(Cc1cc(C#N)ccn1)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001232482180 1035726188 /nfs/dbraw/zinc/72/61/88/1035726188.db2.gz RYLCWUQDTSDKOX-NRFANRHFSA-N 1 2 350.466 2.676 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)c1 ZINC001232674984 1035931680 /nfs/dbraw/zinc/93/16/80/1035931680.db2.gz JHGWWILWKAOKQK-CEWLAPEOSA-N 1 2 365.433 2.607 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)c1 ZINC001232674984 1035931697 /nfs/dbraw/zinc/93/16/97/1035931697.db2.gz JHGWWILWKAOKQK-CEWLAPEOSA-N 1 2 365.433 2.607 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)c1 ZINC001232674765 1035932074 /nfs/dbraw/zinc/93/20/74/1035932074.db2.gz DLADHAMXFGMKQG-LJQANCHMSA-N 1 2 365.433 2.861 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(C#N)ccc3O)C[C@@H]12 ZINC001232681904 1035939897 /nfs/dbraw/zinc/93/98/97/1035939897.db2.gz XKZZLWSUSCITSA-DJIMGWMZSA-N 1 2 357.454 2.999 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3O)C[C@@H]12 ZINC001232681904 1035939917 /nfs/dbraw/zinc/93/99/17/1035939917.db2.gz XKZZLWSUSCITSA-DJIMGWMZSA-N 1 2 357.454 2.999 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)ccc1Br ZINC001232897124 1036136173 /nfs/dbraw/zinc/13/61/73/1036136173.db2.gz KNHCYWYXNIJAQF-AWEZNQCLSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1cc(C[N@H+]2CC[C@H](Oc3cnccn3)C2)ccc1Br ZINC001232897124 1036136185 /nfs/dbraw/zinc/13/61/85/1036136185.db2.gz KNHCYWYXNIJAQF-AWEZNQCLSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCCN(c3ncccn3)CC2)ccc1Br ZINC001232900034 1036140062 /nfs/dbraw/zinc/14/00/62/1036140062.db2.gz YUUVWCNIVXLNEX-UHFFFAOYSA-N 1 2 372.270 2.823 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCCN(c3ncccn3)CC2)ccc1Br ZINC001232900034 1036140066 /nfs/dbraw/zinc/14/00/66/1036140066.db2.gz YUUVWCNIVXLNEX-UHFFFAOYSA-N 1 2 372.270 2.823 20 30 FFEDLO Cc1ccc(CN2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c(C#N)c1 ZINC001232965799 1036192720 /nfs/dbraw/zinc/19/27/20/1036192720.db2.gz FRGGSJPUSAFODE-UHFFFAOYSA-N 1 2 352.486 2.704 20 30 FFEDLO Cc1ccc(CN2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c(C#N)c1 ZINC001232965799 1036192725 /nfs/dbraw/zinc/19/27/25/1036192725.db2.gz FRGGSJPUSAFODE-UHFFFAOYSA-N 1 2 352.486 2.704 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(C(F)(F)F)n1 ZINC001277318781 1036236767 /nfs/dbraw/zinc/23/67/67/1036236767.db2.gz XYZGZKVWQWPTIM-KRWDZBQOSA-N 1 2 351.372 2.691 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(C(F)(F)F)n1 ZINC001277318781 1036236783 /nfs/dbraw/zinc/23/67/83/1036236783.db2.gz XYZGZKVWQWPTIM-KRWDZBQOSA-N 1 2 351.372 2.691 20 30 FFEDLO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(O)c(F)c1F)CC2 ZINC001140890215 1036385914 /nfs/dbraw/zinc/38/59/14/1036385914.db2.gz ZDBMZKWRGARFOI-UHFFFAOYSA-N 1 2 352.381 2.891 20 30 FFEDLO N#Cc1ccc([N+](=O)[O-])cc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001228923395 1036407373 /nfs/dbraw/zinc/40/73/73/1036407373.db2.gz RBFICNNBYQKFQT-SFHVURJKSA-N 1 2 353.378 2.746 20 30 FFEDLO N#Cc1ccc([N+](=O)[O-])cc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001228923395 1036407382 /nfs/dbraw/zinc/40/73/82/1036407382.db2.gz RBFICNNBYQKFQT-SFHVURJKSA-N 1 2 353.378 2.746 20 30 FFEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cncc(F)c1Cl)CC2 ZINC001277357366 1036504633 /nfs/dbraw/zinc/50/46/33/1036504633.db2.gz ISGVVRDMFWDOPG-AWEZNQCLSA-N 1 2 364.852 2.896 20 30 FFEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1nc3cc(F)ccc3[nH]1)CC2 ZINC001277410752 1036863853 /nfs/dbraw/zinc/86/38/53/1036863853.db2.gz QLNOSKLLPRYYRS-HNNXBMFYSA-N 1 2 356.445 2.996 20 30 FFEDLO CCc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C2)c1 ZINC001206949565 1036968934 /nfs/dbraw/zinc/96/89/34/1036968934.db2.gz IIAOYWVQVYMBCJ-VQIMIIECSA-N 1 2 369.509 2.674 20 30 FFEDLO CCc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C2)c1 ZINC001206949565 1036968941 /nfs/dbraw/zinc/96/89/41/1036968941.db2.gz IIAOYWVQVYMBCJ-VQIMIIECSA-N 1 2 369.509 2.674 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cscc2Br)C[C@H]1NC(=O)C#CC1CC1 ZINC001206952059 1036972478 /nfs/dbraw/zinc/97/24/78/1036972478.db2.gz WRIYXDASQUBINX-IAQYHMDHSA-N 1 2 367.312 2.861 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cscc2Br)C[C@H]1NC(=O)C#CC1CC1 ZINC001206952059 1036972494 /nfs/dbraw/zinc/97/24/94/1036972494.db2.gz WRIYXDASQUBINX-IAQYHMDHSA-N 1 2 367.312 2.861 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2F)C[C@H]1C ZINC001207190915 1037234794 /nfs/dbraw/zinc/23/47/94/1037234794.db2.gz ZYONWQLEUWRGEB-IIDMSEBBSA-N 1 2 361.461 2.946 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2F)C[C@H]1C ZINC001207190915 1037234809 /nfs/dbraw/zinc/23/48/09/1037234809.db2.gz ZYONWQLEUWRGEB-IIDMSEBBSA-N 1 2 361.461 2.946 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(O)c1Cl)C2 ZINC001277919493 1037327184 /nfs/dbraw/zinc/32/71/84/1037327184.db2.gz XCVOGZMOLFSZBB-LJQANCHMSA-N 1 2 364.873 2.673 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cccc(O)c1Cl)C2 ZINC001277919493 1037327203 /nfs/dbraw/zinc/32/72/03/1037327203.db2.gz XCVOGZMOLFSZBB-LJQANCHMSA-N 1 2 364.873 2.673 20 30 FFEDLO C=CCN1CC2(CCC1=O)CCN(c1nc(NC3CC3)c(C)c[nH+]1)CC2 ZINC001277926047 1037382338 /nfs/dbraw/zinc/38/23/38/1037382338.db2.gz SXSYERFYAAQQHC-UHFFFAOYSA-N 1 2 355.486 2.754 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277508506 1037543304 /nfs/dbraw/zinc/54/33/04/1037543304.db2.gz XHPWMSDFKQOETH-SFHVURJKSA-N 1 2 350.821 2.775 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277508506 1037543310 /nfs/dbraw/zinc/54/33/10/1037543310.db2.gz XHPWMSDFKQOETH-SFHVURJKSA-N 1 2 350.821 2.775 20 30 FFEDLO CCN(CC)C(=O)NC1CC[NH+](Cc2c(F)cc(C#N)cc2F)CC1 ZINC001235660135 1037667254 /nfs/dbraw/zinc/66/72/54/1037667254.db2.gz FCENRALELYXOLD-UHFFFAOYSA-N 1 2 350.413 2.852 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+]1Cc2nn(C)cc2[C@@H](COCC2CC2)C1 ZINC001231618508 1037741155 /nfs/dbraw/zinc/74/11/55/1037741155.db2.gz INTAAIPUUFORAG-GOSISDBHSA-N 1 2 366.465 2.826 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+]1Cc2nn(C)cc2[C@@H](COCC2CC2)C1 ZINC001231618508 1037741172 /nfs/dbraw/zinc/74/11/72/1037741172.db2.gz INTAAIPUUFORAG-GOSISDBHSA-N 1 2 366.465 2.826 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](Cc2ccc(F)nc2C)Cc2nnn(CC3CC3)c21 ZINC001235811137 1037761818 /nfs/dbraw/zinc/76/18/18/1037761818.db2.gz OAYLNJDXCUSAQB-QGZVFWFLSA-N 1 2 371.460 2.833 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](Cc2ccc(F)nc2C)Cc2nnn(CC3CC3)c21 ZINC001235811137 1037761820 /nfs/dbraw/zinc/76/18/20/1037761820.db2.gz OAYLNJDXCUSAQB-QGZVFWFLSA-N 1 2 371.460 2.833 20 30 FFEDLO COCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001277973286 1037783023 /nfs/dbraw/zinc/78/30/23/1037783023.db2.gz BSBFTSYJTQKGJP-FQEVSTJZSA-N 1 2 359.445 2.691 20 30 FFEDLO COCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)ccc1C#N ZINC001277973286 1037783034 /nfs/dbraw/zinc/78/30/34/1037783034.db2.gz BSBFTSYJTQKGJP-FQEVSTJZSA-N 1 2 359.445 2.691 20 30 FFEDLO Cc1nc2cc(C[NH+]3CCN(c4nccnc4C#N)CC3)ccc2s1 ZINC001235861878 1037799672 /nfs/dbraw/zinc/79/96/72/1037799672.db2.gz FQFDBUNRSCOFAZ-UHFFFAOYSA-N 1 2 350.451 2.589 20 30 FFEDLO CCOCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001277974798 1037804234 /nfs/dbraw/zinc/80/42/34/1037804234.db2.gz PMILVEYLVURAMK-FQEVSTJZSA-N 1 2 359.445 2.691 20 30 FFEDLO CCOCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)ccc1C#N ZINC001277974798 1037804248 /nfs/dbraw/zinc/80/42/48/1037804248.db2.gz PMILVEYLVURAMK-FQEVSTJZSA-N 1 2 359.445 2.691 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cn(C)nc2C(F)(F)F)C1=O ZINC001277579104 1037965001 /nfs/dbraw/zinc/96/50/01/1037965001.db2.gz OOKQUAGMTNGEOC-MRXNPFEDSA-N 1 2 356.392 2.582 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cn(C)nc2C(F)(F)F)C1=O ZINC001277579104 1037965011 /nfs/dbraw/zinc/96/50/11/1037965011.db2.gz OOKQUAGMTNGEOC-MRXNPFEDSA-N 1 2 356.392 2.582 20 30 FFEDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C#N)c(Cl)c1 ZINC001277596595 1038084562 /nfs/dbraw/zinc/08/45/62/1038084562.db2.gz HBUZRIRGLOXGSV-NXOUGTEYSA-N 1 2 359.857 2.754 20 30 FFEDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C#N)c(Cl)c1 ZINC001277596595 1038084581 /nfs/dbraw/zinc/08/45/81/1038084581.db2.gz HBUZRIRGLOXGSV-NXOUGTEYSA-N 1 2 359.857 2.754 20 30 FFEDLO COc1ccc(-c2c(C[N@@H+]3CC[C@@H]4SC(=O)C=C4C3)cnn2C)cc1 ZINC001232106541 1038175536 /nfs/dbraw/zinc/17/55/36/1038175536.db2.gz DXNBVRDBVQBVMV-KRWDZBQOSA-N 1 2 355.463 2.870 20 30 FFEDLO COc1ccc(-c2c(C[N@H+]3CC[C@@H]4SC(=O)C=C4C3)cnn2C)cc1 ZINC001232106541 1038175541 /nfs/dbraw/zinc/17/55/41/1038175541.db2.gz DXNBVRDBVQBVMV-KRWDZBQOSA-N 1 2 355.463 2.870 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cnc(-c3cccnc3)o1)CC2 ZINC001232130638 1038185865 /nfs/dbraw/zinc/18/58/65/1038185865.db2.gz HUAVTZIZGNVRBC-UHFFFAOYSA-N 1 2 365.437 2.731 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cnc(-c3cccnc3)o1)CC2 ZINC001232130638 1038185872 /nfs/dbraw/zinc/18/58/72/1038185872.db2.gz HUAVTZIZGNVRBC-UHFFFAOYSA-N 1 2 365.437 2.731 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2F)C[C@H]1C ZINC001208317920 1038209386 /nfs/dbraw/zinc/20/93/86/1038209386.db2.gz BFWCVABEIQKDGU-CKEIUWERSA-N 1 2 361.461 2.801 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2F)C[C@H]1C ZINC001208317920 1038209401 /nfs/dbraw/zinc/20/94/01/1038209401.db2.gz BFWCVABEIQKDGU-CKEIUWERSA-N 1 2 361.461 2.801 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001236807995 1038281082 /nfs/dbraw/zinc/28/10/82/1038281082.db2.gz JGWKLAHMCRGYBQ-GOSISDBHSA-N 1 2 372.469 2.623 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1Cc1c(C)cc(OC)cc1O ZINC001236807995 1038281093 /nfs/dbraw/zinc/28/10/93/1038281093.db2.gz JGWKLAHMCRGYBQ-GOSISDBHSA-N 1 2 372.469 2.623 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001208393903 1038281430 /nfs/dbraw/zinc/28/14/30/1038281430.db2.gz ZICDPMLJNJPQMT-ZIFCJYIRSA-N 1 2 357.498 2.972 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001208393903 1038281441 /nfs/dbraw/zinc/28/14/41/1038281441.db2.gz ZICDPMLJNJPQMT-ZIFCJYIRSA-N 1 2 357.498 2.972 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@@H](C)c2cccs2)C[C@H]1C ZINC001208458309 1038328885 /nfs/dbraw/zinc/32/88/85/1038328885.db2.gz CJHJSDQIUWIPGV-OWCLPIDISA-N 1 2 363.527 2.718 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)c2cccs2)C[C@H]1C ZINC001208458309 1038328889 /nfs/dbraw/zinc/32/88/89/1038328889.db2.gz CJHJSDQIUWIPGV-OWCLPIDISA-N 1 2 363.527 2.718 20 30 FFEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](C)Cc1cccc(OC)c1 ZINC001256156883 1038408531 /nfs/dbraw/zinc/40/85/31/1038408531.db2.gz QWXUBGFKZCMSCM-QRWLVFNGSA-N 1 2 352.434 2.872 20 30 FFEDLO N#Cc1ccc(C[NH+]2CC3(C2)CCN(C(=O)CCc2ccc[nH]2)C3)s1 ZINC001278923270 1038456392 /nfs/dbraw/zinc/45/63/92/1038456392.db2.gz ASQJHRSZJGWQFX-UHFFFAOYSA-N 1 2 354.479 2.615 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H](C[NH+]1CCN(CCC#N)CC1)c1ccccc1 ZINC001208765942 1038519875 /nfs/dbraw/zinc/51/98/75/1038519875.db2.gz CYGVBCHVOOVRCR-GOSISDBHSA-N 1 2 358.486 2.784 20 30 FFEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C(=O)OCC ZINC001256459195 1038521050 /nfs/dbraw/zinc/52/10/50/1038521050.db2.gz PSDCBPHAUXTCGT-DEXNDLTESA-N 1 2 352.475 2.872 20 30 FFEDLO C=CCN(CC[N@@H+]1CCc2c(cnn2-c2ccccc2)C1)C(=O)OCC ZINC001209021999 1038637284 /nfs/dbraw/zinc/63/72/84/1038637284.db2.gz HHAIEZWFCHXJJI-UHFFFAOYSA-N 1 2 354.454 2.875 20 30 FFEDLO C=CCN(CC[N@H+]1CCc2c(cnn2-c2ccccc2)C1)C(=O)OCC ZINC001209021999 1038637287 /nfs/dbraw/zinc/63/72/87/1038637287.db2.gz HHAIEZWFCHXJJI-UHFFFAOYSA-N 1 2 354.454 2.875 20 30 FFEDLO COC(=O)[C@@H]([NH2+]C1CCC(C#N)CC1)C(C)(C)NC(=O)OC(C)(C)C ZINC001256950946 1038662470 /nfs/dbraw/zinc/66/24/70/1038662470.db2.gz SKOVNYFFDCTWIA-JXQTWKCFSA-N 1 2 353.463 2.503 20 30 FFEDLO N#Cc1ccc(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)cn1 ZINC001537253575 1070153536 /nfs/dbraw/zinc/15/35/36/1070153536.db2.gz YXKHVJZBGYACAB-UHFFFAOYSA-N 1 2 357.417 2.785 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[C@@H](C)CC)C2)c1 ZINC001209698892 1039139672 /nfs/dbraw/zinc/13/96/72/1039139672.db2.gz UBWKACXJFHHBRJ-SQGPQFPESA-N 1 2 369.509 2.869 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC[C@@H](C)CC)C2)c1 ZINC001209698892 1039139680 /nfs/dbraw/zinc/13/96/80/1039139680.db2.gz UBWKACXJFHHBRJ-SQGPQFPESA-N 1 2 369.509 2.869 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCc2cccnc2)C1 ZINC001209776223 1039209910 /nfs/dbraw/zinc/20/99/10/1039209910.db2.gz KVMPGXBARMECRE-CZUORRHYSA-N 1 2 366.303 2.749 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCc2cccnc2)C1 ZINC001209776223 1039209920 /nfs/dbraw/zinc/20/99/20/1039209920.db2.gz KVMPGXBARMECRE-CZUORRHYSA-N 1 2 366.303 2.749 20 30 FFEDLO CC[C@H](C)N1CCC2(CC[NH+](CC(=O)c3cccc(C#N)c3)CC2)C1=O ZINC001276677918 1039366644 /nfs/dbraw/zinc/36/66/44/1039366644.db2.gz HCFCFJOSVLTGMC-INIZCTEOSA-N 1 2 353.466 2.854 20 30 FFEDLO COCCOC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(C#N)c(F)c1)C2 ZINC001278638148 1039387471 /nfs/dbraw/zinc/38/74/71/1039387471.db2.gz LNFHPZUSKYKPLO-FQEVSTJZSA-N 1 2 361.461 2.606 20 30 FFEDLO COCCOC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(C#N)c(F)c1)C2 ZINC001278638148 1039387481 /nfs/dbraw/zinc/38/74/81/1039387481.db2.gz LNFHPZUSKYKPLO-FQEVSTJZSA-N 1 2 361.461 2.606 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1Cc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1 ZINC001210121471 1039393643 /nfs/dbraw/zinc/39/36/43/1039393643.db2.gz LWXDYQYJVXJXSV-HNNXBMFYSA-N 1 2 362.355 2.945 20 30 FFEDLO CN(C)C(=O)COc1cccc(C(=O)/C=C/c2ccc[nH+]c2N(C)C)c1 ZINC001258512894 1039409824 /nfs/dbraw/zinc/40/98/24/1039409824.db2.gz NRYZPNCOABAWRS-ZHACJKMWSA-N 1 2 353.422 2.511 20 30 FFEDLO C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1CC[C@@](C)(OCC[NH+]3CCOCC3)[C@@H]12 ZINC001210207854 1039430092 /nfs/dbraw/zinc/43/00/92/1039430092.db2.gz OQFZNDPHZBTAGJ-VNYTWHDVSA-N 1 2 361.482 2.712 20 30 FFEDLO CCCCCCCC[C@H](O)C[N@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001252127667 1039441195 /nfs/dbraw/zinc/44/11/95/1039441195.db2.gz DBAOCSCEQKFKHJ-IRXDYDNUSA-N 1 2 352.523 2.862 20 30 FFEDLO CCCCCCCC[C@H](O)C[N@@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001252127667 1039441197 /nfs/dbraw/zinc/44/11/97/1039441197.db2.gz DBAOCSCEQKFKHJ-IRXDYDNUSA-N 1 2 352.523 2.862 20 30 FFEDLO N#Cc1cc(F)ccc1Nc1ccc(N2CC[NH+](C3COC3)CC2)cc1 ZINC001210555805 1039609163 /nfs/dbraw/zinc/60/91/63/1039609163.db2.gz PVHXVOKUPJBFMH-UHFFFAOYSA-N 1 2 352.413 2.962 20 30 FFEDLO C=CCn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C=CCC=C2C)cn1 ZINC001278709730 1040096280 /nfs/dbraw/zinc/09/62/80/1040096280.db2.gz KEEUWTIYZKFNCI-ZCNNSNEGSA-N 1 2 352.482 2.767 20 30 FFEDLO C=CCn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C=CCC=C2C)cn1 ZINC001278709730 1040096300 /nfs/dbraw/zinc/09/63/00/1040096300.db2.gz KEEUWTIYZKFNCI-ZCNNSNEGSA-N 1 2 352.482 2.767 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)n(C)n3)C[C@H]2C)CCCCC1 ZINC001211411123 1040168131 /nfs/dbraw/zinc/16/81/31/1040168131.db2.gz YUSFUWPUKFBURE-VQIMIIECSA-N 1 2 356.514 2.639 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)n(C)n3)C[C@H]2C)CCCCC1 ZINC001211411123 1040168141 /nfs/dbraw/zinc/16/81/41/1040168141.db2.gz YUSFUWPUKFBURE-VQIMIIECSA-N 1 2 356.514 2.639 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213322432 1040448717 /nfs/dbraw/zinc/44/87/17/1040448717.db2.gz JAPKZDVMMUDVTI-NIKGAXFTSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213322432 1040448723 /nfs/dbraw/zinc/44/87/23/1040448723.db2.gz JAPKZDVMMUDVTI-NIKGAXFTSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1OC ZINC001213389861 1040500372 /nfs/dbraw/zinc/50/03/72/1040500372.db2.gz JROMDQZQMINTQD-HLIPFELVSA-N 1 2 362.518 2.556 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1OC ZINC001213389861 1040500390 /nfs/dbraw/zinc/50/03/90/1040500390.db2.gz JROMDQZQMINTQD-HLIPFELVSA-N 1 2 362.518 2.556 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2OC)CC1 ZINC001213392996 1040507433 /nfs/dbraw/zinc/50/74/33/1040507433.db2.gz PYTAORDKVXLYNQ-RTBURBONSA-N 1 2 371.456 2.759 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2OC)CC1 ZINC001213392996 1040507450 /nfs/dbraw/zinc/50/74/50/1040507450.db2.gz PYTAORDKVXLYNQ-RTBURBONSA-N 1 2 371.456 2.759 20 30 FFEDLO N#Cc1ccn2ncc(C[NH+]3CCN(c4ccc(F)c(F)c4)CC3)c2c1 ZINC001249082418 1040573922 /nfs/dbraw/zinc/57/39/22/1040573922.db2.gz SDXVXHRFOYEFBR-UHFFFAOYSA-N 1 2 353.376 2.806 20 30 FFEDLO Cc1cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)cnc1C#N ZINC001213481546 1040591024 /nfs/dbraw/zinc/59/10/24/1040591024.db2.gz HGWMPCWLRITSNE-UHFFFAOYSA-N 1 2 356.401 2.855 20 30 FFEDLO N#Cc1ccn2ncc(CN3CC[C@@H]([NH+]4CCCCC4)C(F)(F)C3)c2c1 ZINC001249125511 1040593878 /nfs/dbraw/zinc/59/38/78/1040593878.db2.gz WLGVXPNBMQNLDO-GOSISDBHSA-N 1 2 359.424 2.901 20 30 FFEDLO Cc1ccc(S(=O)(=O)N2CCC([NH2+]C3(C#N)CCCCC3)CC2)cc1 ZINC001254169531 1040595536 /nfs/dbraw/zinc/59/55/36/1040595536.db2.gz HKPHMSAYENNUCK-UHFFFAOYSA-N 1 2 361.511 2.964 20 30 FFEDLO C=CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(-c2ccccn2)s1 ZINC001260539794 1040643291 /nfs/dbraw/zinc/64/32/91/1040643291.db2.gz BQKXONRMUIUSAV-AWEZNQCLSA-N 1 2 363.508 2.739 20 30 FFEDLO C=CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(-c2ccccn2)s1 ZINC001260539794 1040643298 /nfs/dbraw/zinc/64/32/98/1040643298.db2.gz BQKXONRMUIUSAV-AWEZNQCLSA-N 1 2 363.508 2.739 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2OC)CCCC1 ZINC001213659320 1040769072 /nfs/dbraw/zinc/76/90/72/1040769072.db2.gz BZQWQKRILUSFHJ-RTBURBONSA-N 1 2 355.482 2.844 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2OC)CCCC1 ZINC001213659320 1040769078 /nfs/dbraw/zinc/76/90/78/1040769078.db2.gz BZQWQKRILUSFHJ-RTBURBONSA-N 1 2 355.482 2.844 20 30 FFEDLO CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2n[nH]c3ccccc32)[C@H](OC)C1 ZINC001213800456 1040922958 /nfs/dbraw/zinc/92/29/58/1040922958.db2.gz XRUSGYUCZBBGBD-QZTJIDSGSA-N 1 2 358.486 2.962 20 30 FFEDLO CCCCCCC[N@H+]1C[C@@H](NC(=O)c2n[nH]c3ccccc32)[C@H](OC)C1 ZINC001213800456 1040922964 /nfs/dbraw/zinc/92/29/64/1040922964.db2.gz XRUSGYUCZBBGBD-QZTJIDSGSA-N 1 2 358.486 2.962 20 30 FFEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1cccc(C#N)c1F ZINC001249681394 1040939298 /nfs/dbraw/zinc/93/92/98/1040939298.db2.gz XCEXVJJVONGMIC-SFHVURJKSA-N 1 2 369.444 2.710 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CCc1cccs1 ZINC001213838051 1040984228 /nfs/dbraw/zinc/98/42/28/1040984228.db2.gz ZDOFUMCBEDRJQF-RTBURBONSA-N 1 2 369.490 2.568 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CCc1cccs1 ZINC001213838051 1040984255 /nfs/dbraw/zinc/98/42/55/1040984255.db2.gz ZDOFUMCBEDRJQF-RTBURBONSA-N 1 2 369.490 2.568 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(C)c(Br)cc2O)CC1 ZINC001250136625 1041126272 /nfs/dbraw/zinc/12/62/72/1041126272.db2.gz VSRABGODLPGFQA-UHFFFAOYSA-N 1 2 367.243 2.742 20 30 FFEDLO N#C[C@@]1(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)CCCOC1 ZINC001261848414 1041445338 /nfs/dbraw/zinc/44/53/38/1041445338.db2.gz ZRCRMBLCWISTCF-FQEVSTJZSA-N 1 2 367.453 2.808 20 30 FFEDLO C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001261945861 1041485813 /nfs/dbraw/zinc/48/58/13/1041485813.db2.gz JVWSQLUADKGTKP-KRWDZBQOSA-N 1 2 368.481 2.539 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc([C@H](C)OCC)no2)C1 ZINC001215696838 1041862356 /nfs/dbraw/zinc/86/23/56/1041862356.db2.gz KSLQXMQDILILBD-QLFBSQMISA-N 1 2 364.490 2.706 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC[C@H](C)[C@H]1c1ccccc1 ZINC001262947543 1041981920 /nfs/dbraw/zinc/98/19/20/1041981920.db2.gz NRIDOPHDWHHFPY-WNHJNPCNSA-N 1 2 367.497 2.789 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC[C@H](C)[C@H]1c1ccccc1 ZINC001262947543 1041981927 /nfs/dbraw/zinc/98/19/27/1041981927.db2.gz NRIDOPHDWHHFPY-WNHJNPCNSA-N 1 2 367.497 2.789 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001262980038 1042006184 /nfs/dbraw/zinc/00/61/84/1042006184.db2.gz CSROZZUYPTWCKH-QLFBSQMISA-N 1 2 362.428 2.997 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 ZINC001262990449 1042013889 /nfs/dbraw/zinc/01/38/89/1042013889.db2.gz CGLFXKDESCOYHG-HUUCEWRRSA-N 1 2 360.531 2.899 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@@H](CF)C1 ZINC001263343005 1042251349 /nfs/dbraw/zinc/25/13/49/1042251349.db2.gz LTSLFSHKLBMTTJ-BBWFWOEESA-N 1 2 363.481 2.576 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@@H](CF)C1 ZINC001263343005 1042251353 /nfs/dbraw/zinc/25/13/53/1042251353.db2.gz LTSLFSHKLBMTTJ-BBWFWOEESA-N 1 2 363.481 2.576 20 30 FFEDLO C[N@@H+]1CCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCCO1 ZINC001263586932 1042388184 /nfs/dbraw/zinc/38/81/84/1042388184.db2.gz SZLYILDXUXKUEW-ROUUACIJSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCCO1 ZINC001263586932 1042388187 /nfs/dbraw/zinc/38/81/87/1042388187.db2.gz SZLYILDXUXKUEW-ROUUACIJSA-N 1 2 372.517 2.744 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cnon3)C[C@H]2c2ccccc2)CCC1 ZINC001263885891 1042509434 /nfs/dbraw/zinc/50/94/34/1042509434.db2.gz PZVRDDFWUIXOMX-RBUKOAKNSA-N 1 2 366.465 2.900 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cnon3)C[C@H]2c2ccccc2)CCC1 ZINC001263885891 1042509440 /nfs/dbraw/zinc/50/94/40/1042509440.db2.gz PZVRDDFWUIXOMX-RBUKOAKNSA-N 1 2 366.465 2.900 20 30 FFEDLO O=C(NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1)C(F)C(F)(F)F ZINC001263901946 1042521119 /nfs/dbraw/zinc/52/11/19/1042521119.db2.gz OGCGUXNVUIFPSS-ARFHVFGLSA-N 1 2 356.363 2.813 20 30 FFEDLO O=C(NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1)[C@@H](F)C(F)(F)F ZINC001263901946 1042521120 /nfs/dbraw/zinc/52/11/20/1042521120.db2.gz OGCGUXNVUIFPSS-ARFHVFGLSA-N 1 2 356.363 2.813 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C(=O)C(C)(C)C)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001264047877 1042597136 /nfs/dbraw/zinc/59/71/36/1042597136.db2.gz UJHGGPODIUGQNF-ZWKOTPCHSA-N 1 2 358.457 2.762 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C(=O)C(C)(C)C)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001264047877 1042597137 /nfs/dbraw/zinc/59/71/37/1042597137.db2.gz UJHGGPODIUGQNF-ZWKOTPCHSA-N 1 2 358.457 2.762 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ncc(C)cn2)[C@@H]1CC)OCC ZINC001264054157 1042600435 /nfs/dbraw/zinc/60/04/35/1042600435.db2.gz BUBWRMFWGREFQQ-KSZLIROESA-N 1 2 360.502 2.625 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)cn2)[C@@H]1CC)OCC ZINC001264054157 1042600437 /nfs/dbraw/zinc/60/04/37/1042600437.db2.gz BUBWRMFWGREFQQ-KSZLIROESA-N 1 2 360.502 2.625 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cnn(C)n2)[C@@H]1CC)c1ccccc1 ZINC001264625966 1042757856 /nfs/dbraw/zinc/75/78/56/1042757856.db2.gz QADPZJFPGQUGSR-HSALFYBXSA-N 1 2 367.497 2.644 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)n2)[C@@H]1CC)c1ccccc1 ZINC001264625966 1042757860 /nfs/dbraw/zinc/75/78/60/1042757860.db2.gz QADPZJFPGQUGSR-HSALFYBXSA-N 1 2 367.497 2.644 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C4CC4)o3)CC[C@@H]2C1 ZINC001264645597 1042766047 /nfs/dbraw/zinc/76/60/47/1042766047.db2.gz OISAMDHGTJDMKZ-CVEARBPZSA-N 1 2 358.486 2.830 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C4CC4)o3)CC[C@@H]2C1 ZINC001264645597 1042766050 /nfs/dbraw/zinc/76/60/50/1042766050.db2.gz OISAMDHGTJDMKZ-CVEARBPZSA-N 1 2 358.486 2.830 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(Cc4ccc(Cl)c(O)c4)C3)C2)cc1C#N ZINC001279314378 1042996860 /nfs/dbraw/zinc/99/68/60/1042996860.db2.gz WXYIZJMHCQMMCQ-UHFFFAOYSA-N 1 2 356.857 2.574 20 30 FFEDLO COc1ccc(C[N@@H+]2CCCC3(CN(Cc4ccc[nH]4)C3)C2)c(C#N)c1 ZINC001279405384 1043064229 /nfs/dbraw/zinc/06/42/29/1043064229.db2.gz QZHVLBNUOCGWAU-UHFFFAOYSA-N 1 2 350.466 2.993 20 30 FFEDLO COc1ccc(C[N@H+]2CCCC3(CN(Cc4ccc[nH]4)C3)C2)c(C#N)c1 ZINC001279405384 1043064237 /nfs/dbraw/zinc/06/42/37/1043064237.db2.gz QZHVLBNUOCGWAU-UHFFFAOYSA-N 1 2 350.466 2.993 20 30 FFEDLO Cn1cc(C[N@@H+]2CCC3(CN(Cc4cccc(Cl)c4O)C3)C2)cc1C#N ZINC001279443085 1043118942 /nfs/dbraw/zinc/11/89/42/1043118942.db2.gz WKFVJQFEVKIFTO-UHFFFAOYSA-N 1 2 370.884 2.964 20 30 FFEDLO Cn1cc(C[N@H+]2CCC3(CN(Cc4cccc(Cl)c4O)C3)C2)cc1C#N ZINC001279443085 1043118950 /nfs/dbraw/zinc/11/89/50/1043118950.db2.gz WKFVJQFEVKIFTO-UHFFFAOYSA-N 1 2 370.884 2.964 20 30 FFEDLO Cc1cc(N2CC[NH+](Cc3ccnc(C#N)c3)CC2)n(-c2ccccc2)n1 ZINC001237469140 1043184030 /nfs/dbraw/zinc/18/40/30/1043184030.db2.gz QFRSBCUFWVOUEY-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C[N@@H+]2Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237603693 1043264644 /nfs/dbraw/zinc/26/46/44/1043264644.db2.gz FHIMQFBLQUUHCP-WBVHZDCISA-N 1 2 367.453 2.647 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C[N@H+]2Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237603693 1043264649 /nfs/dbraw/zinc/26/46/49/1043264649.db2.gz FHIMQFBLQUUHCP-WBVHZDCISA-N 1 2 367.453 2.647 20 30 FFEDLO N#Cc1ccc2nc(C[NH+]3CCC(N4C(=O)Cc5ccccc54)CC3)cn2c1 ZINC001237615171 1043273346 /nfs/dbraw/zinc/27/33/46/1043273346.db2.gz UUNIFAWQOLECQR-UHFFFAOYSA-N 1 2 371.444 2.760 20 30 FFEDLO N#Cc1ccc(CN2CC3(CC[N@@H+]3Cc3cn[nH]c3)C2)cc1Br ZINC001279671329 1043439626 /nfs/dbraw/zinc/43/96/26/1043439626.db2.gz QHFWJWKLXXUJEP-UHFFFAOYSA-N 1 2 372.270 2.504 20 30 FFEDLO N#Cc1ccc(CN2CC3(CC[N@H+]3Cc3cn[nH]c3)C2)cc1Br ZINC001279671329 1043439629 /nfs/dbraw/zinc/43/96/29/1043439629.db2.gz QHFWJWKLXXUJEP-UHFFFAOYSA-N 1 2 372.270 2.504 20 30 FFEDLO Cc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cnc1OC(C)C ZINC001238388232 1043680485 /nfs/dbraw/zinc/68/04/85/1043680485.db2.gz XFVWQYDIBCQVTN-UHFFFAOYSA-N 1 2 351.454 2.766 20 30 FFEDLO CC(C)(C)NC(=O)[C@H]1CCSC12C[NH+](Cc1cc(F)cc(C#N)c1)C2 ZINC001279822586 1043708501 /nfs/dbraw/zinc/70/85/01/1043708501.db2.gz ZGUVSVJNHJAIBP-MRXNPFEDSA-N 1 2 361.486 2.920 20 30 FFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CC3(CC[N@@H+]3C3CCCC3)C2)c1 ZINC001279842143 1043756148 /nfs/dbraw/zinc/75/61/48/1043756148.db2.gz XFRCRGAFOYLKDZ-UHFFFAOYSA-N 1 2 365.886 2.603 20 30 FFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CC3(CC[N@H+]3C3CCCC3)C2)c1 ZINC001279842143 1043756163 /nfs/dbraw/zinc/75/61/63/1043756163.db2.gz XFRCRGAFOYLKDZ-UHFFFAOYSA-N 1 2 365.886 2.603 20 30 FFEDLO COc1cc(F)ccc1-c1cncc(C[NH+]2CCN(CCC#N)CC2)c1 ZINC001238541702 1043764859 /nfs/dbraw/zinc/76/48/59/1043764859.db2.gz OIAJENVMSDSKDY-UHFFFAOYSA-N 1 2 354.429 2.928 20 30 FFEDLO CCCCCCCC[N@@H+]1Cc2ccnn2CC[C@@H]1C(=O)NCC1COC1 ZINC001279868253 1043803158 /nfs/dbraw/zinc/80/31/58/1043803158.db2.gz LPRGFIBTKSXJQV-LJQANCHMSA-N 1 2 362.518 2.581 20 30 FFEDLO CCCCCCCC[N@H+]1Cc2ccnn2CC[C@@H]1C(=O)NCC1COC1 ZINC001279868253 1043803177 /nfs/dbraw/zinc/80/31/77/1043803177.db2.gz LPRGFIBTKSXJQV-LJQANCHMSA-N 1 2 362.518 2.581 20 30 FFEDLO COc1ccc(Cl)c(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CC(CC#N)C2)c1 ZINC001279871462 1043811351 /nfs/dbraw/zinc/81/13/51/1043811351.db2.gz WAABHDOGCMMVQS-BEFAXECRSA-N 1 2 359.857 2.685 20 30 FFEDLO COc1ccc(Cl)c(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)N2CC(CC#N)C2)c1 ZINC001279871462 1043811364 /nfs/dbraw/zinc/81/13/64/1043811364.db2.gz WAABHDOGCMMVQS-BEFAXECRSA-N 1 2 359.857 2.685 20 30 FFEDLO COc1nc(OC)c(C[NH+]2CCC(CC#N)CC2)cc1Br ZINC001238747634 1043866066 /nfs/dbraw/zinc/86/60/66/1043866066.db2.gz PTRSJUGWRVMNJA-UHFFFAOYSA-N 1 2 354.248 2.987 20 30 FFEDLO N#CCC1CN(C(=O)[C@H]2CC23C[NH+](Cc2cccc(Br)c2)C3)C1 ZINC001279996401 1044062496 /nfs/dbraw/zinc/06/24/96/1044062496.db2.gz AWVHHHBOPWOUHX-MRXNPFEDSA-N 1 2 374.282 2.643 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3CCCOc2ccccc2)cc1C#N ZINC001280157560 1044321447 /nfs/dbraw/zinc/32/14/47/1044321447.db2.gz AGDSIJBYECWQJR-BGYRXZFFSA-N 1 2 350.466 2.624 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3CCCOc2ccccc2)cc1C#N ZINC001280157560 1044321460 /nfs/dbraw/zinc/32/14/60/1044321460.db2.gz AGDSIJBYECWQJR-BGYRXZFFSA-N 1 2 350.466 2.624 20 30 FFEDLO Cc1ccc(C#N)c(NC(=O)[C@@H]2CC23C[NH+](Cc2cccc(F)n2)C3)c1 ZINC001280322108 1044603002 /nfs/dbraw/zinc/60/30/02/1044603002.db2.gz ZVOPEPHJVSLSNT-INIZCTEOSA-N 1 2 350.397 2.861 20 30 FFEDLO C#CCN(CC#C)c1nnc(CC2CC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001539285797 1070606304 /nfs/dbraw/zinc/60/63/04/1070606304.db2.gz QHKINFGZZDREQD-UHFFFAOYSA-N 1 2 370.460 2.537 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001281619965 1044974232 /nfs/dbraw/zinc/97/42/32/1044974232.db2.gz BVRPVMNJPQXCHF-KBXCAEBGSA-N 1 2 366.465 2.838 20 30 FFEDLO Cc1cccc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)c1C#N ZINC001319480969 1045166562 /nfs/dbraw/zinc/16/65/62/1045166562.db2.gz JDSOPWCGYPCNEV-PKOBYXMFSA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1cccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c1C#N ZINC001319480969 1045166567 /nfs/dbraw/zinc/16/65/67/1045166567.db2.gz JDSOPWCGYPCNEV-PKOBYXMFSA-N 1 2 373.453 2.730 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CCSCC(C)C)CC1 ZINC001539429533 1070635724 /nfs/dbraw/zinc/63/57/24/1070635724.db2.gz AINBVULOCAMKTN-UHFFFAOYSA-N 1 2 363.575 2.720 20 30 FFEDLO C=CC1CCN(c2nnc(CC(C)C)n2CC2([NH+]3CCOCC3)CC2)CC1 ZINC001539890828 1070721988 /nfs/dbraw/zinc/72/19/88/1070721988.db2.gz SZAQUNYBUHDUKG-UHFFFAOYSA-N 1 2 373.545 2.744 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001282818663 1046260842 /nfs/dbraw/zinc/26/08/42/1046260842.db2.gz ZAMGWAOGZRYMAW-KKSFZXQISA-N 1 2 370.497 2.504 20 30 FFEDLO C[C@H](NC(=O)C#Cc1cccs1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001325166213 1046400728 /nfs/dbraw/zinc/40/07/28/1046400728.db2.gz TZDFWHDRTMWJSE-QFBILLFUSA-N 1 2 354.475 2.505 20 30 FFEDLO C[C@H](NC(=O)C#Cc1cccs1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001325166213 1046400732 /nfs/dbraw/zinc/40/07/32/1046400732.db2.gz TZDFWHDRTMWJSE-QFBILLFUSA-N 1 2 354.475 2.505 20 30 FFEDLO C=CC1(CC(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCCC1 ZINC001284978337 1046682959 /nfs/dbraw/zinc/68/29/59/1046682959.db2.gz JJKATAAJLZDZAC-IAGOWNOFSA-N 1 2 370.497 2.614 20 30 FFEDLO C=CC1(CC(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCCC1 ZINC001284978337 1046682963 /nfs/dbraw/zinc/68/29/63/1046682963.db2.gz JJKATAAJLZDZAC-IAGOWNOFSA-N 1 2 370.497 2.614 20 30 FFEDLO C=CCN(C(=O)[C@@H](C)n1cc[nH+]c1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001325987515 1046710928 /nfs/dbraw/zinc/71/09/28/1046710928.db2.gz KAZGRFCEKJBSTR-SJLPKXTDSA-N 1 2 355.438 2.633 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(C(C)(C)C)n1CCc1cn2ccccc2[nH+]1 ZINC001286273062 1047058677 /nfs/dbraw/zinc/05/86/77/1047058677.db2.gz GIHOEFUPUYPEAS-OAHLLOKOSA-N 1 2 350.470 2.924 20 30 FFEDLO C#CCCCn1c(C)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001286341528 1047078054 /nfs/dbraw/zinc/07/80/54/1047078054.db2.gz GOJIMVNSERLTLO-QGZVFWFLSA-N 1 2 373.526 2.571 20 30 FFEDLO C=C(Cl)C[C@H]([NH3+])C(=O)N(CCC)Cc1nc(=O)c2sccc2[nH]1 ZINC001331692268 1048063895 /nfs/dbraw/zinc/06/38/95/1048063895.db2.gz LYZCGTYGSBSQAK-JTQLQIEISA-N 1 2 354.863 2.605 20 30 FFEDLO COc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)cc1C#N ZINC001332387445 1048373214 /nfs/dbraw/zinc/37/32/14/1048373214.db2.gz STUZISHHEPLNLD-SFHVURJKSA-N 1 2 350.422 2.955 20 30 FFEDLO COc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)cc1C#N ZINC001332387445 1048373222 /nfs/dbraw/zinc/37/32/22/1048373222.db2.gz STUZISHHEPLNLD-SFHVURJKSA-N 1 2 350.422 2.955 20 30 FFEDLO Cc1cc(C[N@@H+]2CCCN(c3cc(C(F)(F)F)cc(C#N)n3)CC2)no1 ZINC001329288646 1048654063 /nfs/dbraw/zinc/65/40/63/1048654063.db2.gz ZILXPEJIMRVPGR-UHFFFAOYSA-N 1 2 365.359 2.981 20 30 FFEDLO Cc1cc(C[N@H+]2CCCN(c3cc(C(F)(F)F)cc(C#N)n3)CC2)no1 ZINC001329288646 1048654067 /nfs/dbraw/zinc/65/40/67/1048654067.db2.gz ZILXPEJIMRVPGR-UHFFFAOYSA-N 1 2 365.359 2.981 20 30 FFEDLO C=CCO[C@@H]1CCN(c2[nH+]c(C)cc(N3CC[C@H](OCC=C)C3)c2C#N)C1 ZINC001330653850 1049251709 /nfs/dbraw/zinc/25/17/09/1049251709.db2.gz SWQGULYHGUCKJA-ZWKOTPCHSA-N 1 2 368.481 2.824 20 30 FFEDLO C=C1CC(C)(C(=O)N(C)C[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001294955899 1049849135 /nfs/dbraw/zinc/84/91/35/1049849135.db2.gz HIMBOYZNWJBCCD-BRWVUGGUSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C1CC(C)(C(=O)N(C)C[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001294955899 1049849146 /nfs/dbraw/zinc/84/91/46/1049849146.db2.gz HIMBOYZNWJBCCD-BRWVUGGUSA-N 1 2 370.497 2.567 20 30 FFEDLO CCc1nc(C#N)cc(NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)n1 ZINC001307191635 1049917575 /nfs/dbraw/zinc/91/75/75/1049917575.db2.gz UKPCAIWKNGEIMS-GOSISDBHSA-N 1 2 351.454 2.532 20 30 FFEDLO CCc1nc(C#N)cc(NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)n1 ZINC001307191635 1049917580 /nfs/dbraw/zinc/91/75/80/1049917580.db2.gz UKPCAIWKNGEIMS-GOSISDBHSA-N 1 2 351.454 2.532 20 30 FFEDLO C=CCn1c(-c2ccc(C)nc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001339843012 1050263716 /nfs/dbraw/zinc/26/37/16/1050263716.db2.gz XHSSNEJRVSNEPZ-UHFFFAOYSA-N 1 2 361.453 2.556 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C3CCCC3)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001339857717 1050275437 /nfs/dbraw/zinc/27/54/37/1050275437.db2.gz XVMDANOBSBKLKO-BBTUJRGHSA-N 1 2 373.545 2.782 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C3CCCC3)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339857717 1050275442 /nfs/dbraw/zinc/27/54/42/1050275442.db2.gz XVMDANOBSBKLKO-BBTUJRGHSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N(Cc2ccco2)C(C)C)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001341739623 1050358074 /nfs/dbraw/zinc/35/80/74/1050358074.db2.gz LLOZKGMZOFZZQP-OXJNMPFZSA-N 1 2 373.501 2.774 20 30 FFEDLO C=C(C)Cn1c(N(Cc2ccco2)C(C)C)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001341739623 1050358090 /nfs/dbraw/zinc/35/80/90/1050358090.db2.gz LLOZKGMZOFZZQP-OXJNMPFZSA-N 1 2 373.501 2.774 20 30 FFEDLO Cc1ccc(CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1C#N ZINC001340130358 1050533841 /nfs/dbraw/zinc/53/38/41/1050533841.db2.gz CDNDRJMLNOWKOQ-KRWDZBQOSA-N 1 2 351.454 2.765 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N(Cc1cccc(F)c1)C1CC1 ZINC001342062311 1050659679 /nfs/dbraw/zinc/65/96/79/1050659679.db2.gz SNVWYWUXBBLTIW-ZWKOTPCHSA-N 1 2 371.460 2.510 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N(Cc1cccc(F)c1)C1CC1 ZINC001342062311 1050659683 /nfs/dbraw/zinc/65/96/83/1050659683.db2.gz SNVWYWUXBBLTIW-ZWKOTPCHSA-N 1 2 371.460 2.510 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CC[C@H](C2CCCCC2)C1 ZINC001340258543 1050664508 /nfs/dbraw/zinc/66/45/08/1050664508.db2.gz MOMUZCAAXHKJQS-KSZLIROESA-N 1 2 359.518 2.608 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CC[C@H](C2CCCCC2)C1 ZINC001340258543 1050664517 /nfs/dbraw/zinc/66/45/17/1050664517.db2.gz MOMUZCAAXHKJQS-KSZLIROESA-N 1 2 359.518 2.608 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@H]1c1ccsc1 ZINC001340259341 1050665708 /nfs/dbraw/zinc/66/57/08/1050665708.db2.gz VFHTZJSWGQBSLU-JYJNAYRXSA-N 1 2 359.499 2.605 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@H]1c1ccsc1 ZINC001340259341 1050665715 /nfs/dbraw/zinc/66/57/15/1050665715.db2.gz VFHTZJSWGQBSLU-JYJNAYRXSA-N 1 2 359.499 2.605 20 30 FFEDLO C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001300805948 1050749654 /nfs/dbraw/zinc/74/96/54/1050749654.db2.gz LUPPPDNHXIADLM-LAUBAEHRSA-N 1 2 373.545 2.580 20 30 FFEDLO C=CCCCn1c(-c2ccc(C)o2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001301208614 1050836058 /nfs/dbraw/zinc/83/60/58/1050836058.db2.gz ZWRLWPGPTPPXNG-UHFFFAOYSA-N 1 2 359.474 2.581 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@H](CC)CC[C@H]1C ZINC001340449790 1050843068 /nfs/dbraw/zinc/84/30/68/1050843068.db2.gz MIHXKHINDIKIIT-IAGOWNOFSA-N 1 2 361.534 2.683 20 30 FFEDLO N#C[C@]1(F)CCN(c2nnc(C[NH+]3CCCC3)n2CCc2ccccc2)C1 ZINC001342273858 1050864867 /nfs/dbraw/zinc/86/48/67/1050864867.db2.gz YNDWLZQJAJEYDY-HXUWFJFHSA-N 1 2 368.460 2.559 20 30 FFEDLO C=CCN(CC=C)c1nnc(CC(C)(C)C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001301402802 1050888513 /nfs/dbraw/zinc/88/85/13/1050888513.db2.gz IKSCQAOZYDCXJM-KRWDZBQOSA-N 1 2 361.534 2.766 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001340492175 1050889543 /nfs/dbraw/zinc/88/95/43/1050889543.db2.gz PWXPURJKHKKRMU-INIZCTEOSA-N 1 2 372.517 2.561 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(CC)[C@H]1CCCOC1 ZINC001342306130 1050901016 /nfs/dbraw/zinc/90/10/16/1050901016.db2.gz LAMKRVPUTRJJPR-SFHVURJKSA-N 1 2 372.517 2.562 20 30 FFEDLO C=CCn1c(N(C)[C@@H](C)c2ccccc2C)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001340569881 1050957744 /nfs/dbraw/zinc/95/77/44/1050957744.db2.gz FLWQPLQIRXPTCX-FIKGOQFSSA-N 1 2 369.513 2.882 20 30 FFEDLO C=CCn1c(N(C)[C@@H](C)c2ccccc2C)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001340569881 1050957757 /nfs/dbraw/zinc/95/77/57/1050957757.db2.gz FLWQPLQIRXPTCX-FIKGOQFSSA-N 1 2 369.513 2.882 20 30 FFEDLO N#Cc1ccccc1-c1ccccc1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001302059067 1051034170 /nfs/dbraw/zinc/03/41/70/1051034170.db2.gz IMJKJNJDVXFEGJ-HXUWFJFHSA-N 1 2 357.417 2.735 20 30 FFEDLO CCOCCCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(C)(C#N)CC1 ZINC001342460005 1051057348 /nfs/dbraw/zinc/05/73/48/1051057348.db2.gz RDXDRZCUHAXRFN-QGZVFWFLSA-N 1 2 374.533 2.992 20 30 FFEDLO CCOCCCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(C)(C#N)CC1 ZINC001342460005 1051057353 /nfs/dbraw/zinc/05/73/53/1051057353.db2.gz RDXDRZCUHAXRFN-QGZVFWFLSA-N 1 2 374.533 2.992 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC001342459626 1051057574 /nfs/dbraw/zinc/05/75/74/1051057574.db2.gz KZNZPSRLQJYINY-BZSNNMDCSA-N 1 2 374.533 2.990 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC001342459626 1051057583 /nfs/dbraw/zinc/05/75/83/1051057583.db2.gz KZNZPSRLQJYINY-BZSNNMDCSA-N 1 2 374.533 2.990 20 30 FFEDLO C=CCn1c(N2CCCC[C@@H]2CC2CCC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001340700139 1051064648 /nfs/dbraw/zinc/06/46/48/1051064648.db2.gz BNTVLERIEQOFSJ-LQWHRVPQSA-N 1 2 373.545 2.925 20 30 FFEDLO C=CCn1c(N2CCCC[C@@H]2CC2CCC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001340700139 1051064661 /nfs/dbraw/zinc/06/46/61/1051064661.db2.gz BNTVLERIEQOFSJ-LQWHRVPQSA-N 1 2 373.545 2.925 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2sc(C)c(Br)c2OC)C1 ZINC001303558252 1051383601 /nfs/dbraw/zinc/38/36/01/1051383601.db2.gz JUOIXBGNKASPBV-NSHDSACASA-N 1 2 371.300 2.655 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2sc(C)c(Br)c2OC)C1 ZINC001303558252 1051383609 /nfs/dbraw/zinc/38/36/09/1051383609.db2.gz JUOIXBGNKASPBV-NSHDSACASA-N 1 2 371.300 2.655 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CC=NO2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001342886526 1051495447 /nfs/dbraw/zinc/49/54/47/1051495447.db2.gz JEFJYEOZZONKGJ-INIZCTEOSA-N 1 2 367.457 2.777 20 30 FFEDLO CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CCC#N)CCC(C)C ZINC001341211636 1051571750 /nfs/dbraw/zinc/57/17/50/1051571750.db2.gz XUDXKTYRHDYDHQ-KRWDZBQOSA-N 1 2 362.522 2.846 20 30 FFEDLO CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(CCC#N)CCC(C)C ZINC001341211636 1051571762 /nfs/dbraw/zinc/57/17/62/1051571762.db2.gz XUDXKTYRHDYDHQ-KRWDZBQOSA-N 1 2 362.522 2.846 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC(=C)C ZINC001343000138 1051616541 /nfs/dbraw/zinc/61/65/41/1051616541.db2.gz QXQFPQDXGIWMIQ-CEXWTWQISA-N 1 2 369.513 2.772 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC(=C)C ZINC001343000138 1051616548 /nfs/dbraw/zinc/61/65/48/1051616548.db2.gz QXQFPQDXGIWMIQ-CEXWTWQISA-N 1 2 369.513 2.772 20 30 FFEDLO Cc1cccc(CCCn2c([C@@H]3CCOC3)nnc2N(C)C[C@@H](C)C#N)[nH+]1 ZINC001542645666 1071272955 /nfs/dbraw/zinc/27/29/55/1071272955.db2.gz QYFVQDVUVJVFNJ-DOTOQJQBSA-N 1 2 368.485 2.714 20 30 FFEDLO C#CCN(CC)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1Cc1cccs1 ZINC001344996668 1052188011 /nfs/dbraw/zinc/18/80/11/1052188011.db2.gz HMXILVWUSBNBQA-KRWDZBQOSA-N 1 2 373.526 2.629 20 30 FFEDLO C#CCN(CC)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1Cc1cccs1 ZINC001344996668 1052188013 /nfs/dbraw/zinc/18/80/13/1052188013.db2.gz HMXILVWUSBNBQA-KRWDZBQOSA-N 1 2 373.526 2.629 20 30 FFEDLO C=C(C)Cn1c(COCC2CC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001343458703 1052245427 /nfs/dbraw/zinc/24/54/27/1052245427.db2.gz GKINTHQETBLVJW-UHFFFAOYSA-N 1 2 368.485 2.502 20 30 FFEDLO C=C(C)Cn1c([C@H](Cc2c[nH]c[nH+]2)NC(C)=O)nnc1N(CC)[C@@H](C)CC ZINC001343748893 1052400717 /nfs/dbraw/zinc/40/07/17/1052400717.db2.gz AVYFDYQIIJYINX-YOEHRIQHSA-N 1 2 373.505 2.622 20 30 FFEDLO C=C(C)Cn1c([C@H](Cc2c[nH+]c[nH]2)NC(C)=O)nnc1N(CC)[C@@H](C)CC ZINC001343748893 1052400718 /nfs/dbraw/zinc/40/07/18/1052400718.db2.gz AVYFDYQIIJYINX-YOEHRIQHSA-N 1 2 373.505 2.622 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC001343935993 1052498787 /nfs/dbraw/zinc/49/87/87/1052498787.db2.gz NCISMAOUXMBNFG-AEFFLSMTSA-N 1 2 359.518 2.844 20 30 FFEDLO CCOCCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC=CCC1 ZINC001343937490 1052499434 /nfs/dbraw/zinc/49/94/34/1052499434.db2.gz GYTSNVMLPPICIS-UHFFFAOYSA-N 1 2 372.517 2.564 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](Cn1c(C3CC3)nnc1N(C)C[C@H](C)C#N)CCC2 ZINC001542832661 1071317476 /nfs/dbraw/zinc/31/74/76/1071317476.db2.gz VFYRCDSMIWWBBZ-CJNGLKHVSA-N 1 2 353.474 2.834 20 30 FFEDLO CCOCCCn1c(C[NH+]2CCCCC2)nnc1N1CCC(CC#N)CC1 ZINC001344111014 1052602743 /nfs/dbraw/zinc/60/27/43/1052602743.db2.gz VVRHGLORNAMORU-UHFFFAOYSA-N 1 2 374.533 2.821 20 30 FFEDLO C#CCOc1cc(F)ccc1NC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001345830025 1052632669 /nfs/dbraw/zinc/63/26/69/1052632669.db2.gz IONIMLFUHDWKMC-UHFFFAOYSA-N 1 2 356.401 2.983 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2CCCC[N@H+]2C)n1C[C@@H]1CCCCO1 ZINC001344292347 1052689840 /nfs/dbraw/zinc/68/98/40/1052689840.db2.gz DPWGKKHYEZJQCL-CEXWTWQISA-N 1 2 371.529 2.996 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2CCCC[N@@H+]2C)n1C[C@@H]1CCCCO1 ZINC001344292347 1052689844 /nfs/dbraw/zinc/68/98/44/1052689844.db2.gz DPWGKKHYEZJQCL-CEXWTWQISA-N 1 2 371.529 2.996 20 30 FFEDLO C=CCCCN(CC)C(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC001335191757 1053251225 /nfs/dbraw/zinc/25/12/25/1053251225.db2.gz UKCIQLRFHYSTRF-UHFFFAOYSA-N 1 2 360.502 2.717 20 30 FFEDLO N#CCC[C@H](C#N)C[NH2+][C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001335439510 1053364379 /nfs/dbraw/zinc/36/43/79/1053364379.db2.gz FVMQQBGFAOXAIG-NHCUHLMSSA-N 1 2 360.461 2.947 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2C[C@@H]2CCCCO2)C1 ZINC001347214663 1053725997 /nfs/dbraw/zinc/72/59/97/1053725997.db2.gz YMUBLDFNGPLMNN-QYZOEREBSA-N 1 2 371.529 2.854 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2C[C@@H]2CCCCO2)C1 ZINC001347214663 1053726007 /nfs/dbraw/zinc/72/60/07/1053726007.db2.gz YMUBLDFNGPLMNN-QYZOEREBSA-N 1 2 371.529 2.854 20 30 FFEDLO Cc1cc(C)c(C(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)[C@H](C)C#N)C2)c(C)[nH+]1 ZINC001348130120 1054677369 /nfs/dbraw/zinc/67/73/69/1054677369.db2.gz BCANUEUSNCELRJ-FNXXIHLHSA-N 1 2 368.481 2.525 20 30 FFEDLO N#Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)nc1 ZINC001348628407 1054827744 /nfs/dbraw/zinc/82/77/44/1054827744.db2.gz CZJHHPSMLMNKBQ-LJQANCHMSA-N 1 2 352.413 2.763 20 30 FFEDLO N#Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)nc1 ZINC001348628407 1054827753 /nfs/dbraw/zinc/82/77/53/1054827753.db2.gz CZJHHPSMLMNKBQ-LJQANCHMSA-N 1 2 352.413 2.763 20 30 FFEDLO C=CC1CCN(c2nnc([C@H]3CCCC[N@H+]3C)n2C[C@@H]2CCOC2)CC1 ZINC001349024645 1055056964 /nfs/dbraw/zinc/05/69/64/1055056964.db2.gz VXNPIXDXQHVSMD-ZWKOTPCHSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CC1CCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2C[C@@H]2CCOC2)CC1 ZINC001349024645 1055056976 /nfs/dbraw/zinc/05/69/76/1055056976.db2.gz VXNPIXDXQHVSMD-ZWKOTPCHSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CCn1c([C@H](O)/C=C\CC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001351981921 1055099389 /nfs/dbraw/zinc/09/93/89/1055099389.db2.gz VKWZVQGDLZPOEZ-CTEOGUNLSA-N 1 2 368.485 2.940 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2c2ccsc2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001352064494 1055165417 /nfs/dbraw/zinc/16/54/17/1055165417.db2.gz ZWWONFXWDQJRCY-FCEWJHQRSA-N 1 2 373.526 2.779 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2c2ccsc2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001352064494 1055165422 /nfs/dbraw/zinc/16/54/22/1055165422.db2.gz ZWWONFXWDQJRCY-FCEWJHQRSA-N 1 2 373.526 2.779 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H](CC(F)(F)F)C1 ZINC001352092793 1055186809 /nfs/dbraw/zinc/18/68/09/1055186809.db2.gz BEIVHDMPZWYHCX-ZDUSSCGKSA-N 1 2 368.407 2.957 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(C)(F)CC1 ZINC001356082560 1055273283 /nfs/dbraw/zinc/27/32/83/1055273283.db2.gz IYTCGVSOBBMVJT-UHFFFAOYSA-N 1 2 360.481 2.886 20 30 FFEDLO C=C1CCC(CNC(=O)C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC001356171098 1055352755 /nfs/dbraw/zinc/35/27/55/1055352755.db2.gz TXJMIRNRLYRSEY-UHFFFAOYSA-N 1 2 359.470 2.528 20 30 FFEDLO O=C(/C=C\c1ccc(F)cc1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC001543871366 1071559427 /nfs/dbraw/zinc/55/94/27/1071559427.db2.gz KYDMRAWMVYHCTC-YVMONPNESA-N 1 2 372.465 2.856 20 30 FFEDLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)NC2CCN(CC#N)CC2)C1 ZINC001357241569 1055838462 /nfs/dbraw/zinc/83/84/62/1055838462.db2.gz FAGLPURMZABLJY-MRXNPFEDSA-N 1 2 372.517 2.515 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)C[C@@H]1CCOC1 ZINC001339022866 1056023898 /nfs/dbraw/zinc/02/38/98/1056023898.db2.gz JBBHQCMCFLNWCG-DLBZAZTESA-N 1 2 358.490 2.769 20 30 FFEDLO N#CCOc1ccc(CC(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC001339115063 1056107494 /nfs/dbraw/zinc/10/74/94/1056107494.db2.gz GUJQALVPRXCKRY-LJQANCHMSA-N 1 2 369.852 2.958 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1ccc(C)o1 ZINC001339486667 1056503142 /nfs/dbraw/zinc/50/31/42/1056503142.db2.gz YJLUVLVLBPRROM-QGZVFWFLSA-N 1 2 359.474 2.784 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1ccc(C)o1 ZINC001339486667 1056503157 /nfs/dbraw/zinc/50/31/57/1056503157.db2.gz YJLUVLVLBPRROM-QGZVFWFLSA-N 1 2 359.474 2.784 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC001339502958 1056522116 /nfs/dbraw/zinc/52/21/16/1056522116.db2.gz XFTUCKWTKJZGSK-IAGOWNOFSA-N 1 2 355.490 2.520 20 30 FFEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000623986515 1056601891 /nfs/dbraw/zinc/60/18/91/1056601891.db2.gz YOMGJQYEZFSKAM-NVXWUHKLSA-N 1 2 361.490 2.601 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C)s2)CC1 ZINC001359028791 1056665568 /nfs/dbraw/zinc/66/55/68/1056665568.db2.gz DVCZKSXCXMHDCL-UHFFFAOYSA-N 1 2 357.527 2.749 20 30 FFEDLO C=CCN(c1nnc(C)n1C[C@H](c1ccccc1)[NH+]1CCOCC1)C1CC1 ZINC001359247172 1056883813 /nfs/dbraw/zinc/88/38/13/1056883813.db2.gz USPLAPFDESZINQ-HXUWFJFHSA-N 1 2 367.497 2.815 20 30 FFEDLO C=CCN(c1nnc(CC2CCCC2)n1CC[N@H+]1CCOC[C@H]1C)C1CC1 ZINC001359253053 1056906872 /nfs/dbraw/zinc/90/68/72/1056906872.db2.gz QROABTVMJKWKCR-QGZVFWFLSA-N 1 2 373.545 2.886 20 30 FFEDLO C=CCN(c1nnc(CC2CCCC2)n1CC[N@@H+]1CCOC[C@H]1C)C1CC1 ZINC001359253053 1056906880 /nfs/dbraw/zinc/90/68/80/1056906880.db2.gz QROABTVMJKWKCR-QGZVFWFLSA-N 1 2 373.545 2.886 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3CCCC[N@H+]3C)n2C[C@@H]2CCCO2)C1 ZINC001518115125 1058269022 /nfs/dbraw/zinc/26/90/22/1058269022.db2.gz FAOPEOKNANJTAB-CEXWTWQISA-N 1 2 371.529 2.854 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2C[C@@H]2CCCO2)C1 ZINC001518115125 1058269039 /nfs/dbraw/zinc/26/90/39/1058269039.db2.gz FAOPEOKNANJTAB-CEXWTWQISA-N 1 2 371.529 2.854 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2C[C@H]2CCCO2)C1 ZINC001518120002 1058276055 /nfs/dbraw/zinc/27/60/55/1058276055.db2.gz YDUVCZBBOJXSJB-RBUKOAKNSA-N 1 2 371.529 2.683 20 30 FFEDLO C=CC[NH+]1CCN(C(=S)Nc2cc(OC)c(Cl)cc2OC)CC1 ZINC001200534751 1058502530 /nfs/dbraw/zinc/50/25/30/1058502530.db2.gz BSQBPBCAOYMDHZ-UHFFFAOYSA-N 1 2 355.891 2.858 20 30 FFEDLO CN(C)c1[nH+]ccc2c1CN(c1nnc(CCCC#N)n1CC1CC1)CC2 ZINC001519609093 1058877217 /nfs/dbraw/zinc/87/72/17/1058877217.db2.gz SHBRVZBUQKPPFP-UHFFFAOYSA-N 1 2 365.485 2.558 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@H](C)[N@H+](C)Cc2ccccc2)n1CCOC ZINC001514680320 1059053107 /nfs/dbraw/zinc/05/31/07/1059053107.db2.gz KLXGQXKXJZNRGM-SJORKVTESA-N 1 2 355.486 2.575 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@H](C)[N@@H+](C)Cc2ccccc2)n1CCOC ZINC001514680320 1059053129 /nfs/dbraw/zinc/05/31/29/1059053129.db2.gz KLXGQXKXJZNRGM-SJORKVTESA-N 1 2 355.486 2.575 20 30 FFEDLO N#CCC1CCN(c2nnc(C[NH+]3CCCC3)n2C[C@H]2CCCCO2)CC1 ZINC001519843063 1059126841 /nfs/dbraw/zinc/12/68/41/1059126841.db2.gz WLPACDOYOBDKJS-GOSISDBHSA-N 1 2 372.517 2.573 20 30 FFEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001452825369 1059302944 /nfs/dbraw/zinc/30/29/44/1059302944.db2.gz KVKTVYUWBMZCOC-LBTNJELSSA-N 1 2 369.469 2.815 20 30 FFEDLO COc1cc[nH+]cc1Cn1c(-c2ccccn2)nnc1N(C)[C@H](C)CC#N ZINC001300693165 1059367695 /nfs/dbraw/zinc/36/76/95/1059367695.db2.gz PRYVAQPFDHKZLI-CQSZACIVSA-N 1 2 363.425 2.530 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(C)CCCC2)CC1 ZINC001300697344 1059387160 /nfs/dbraw/zinc/38/71/60/1059387160.db2.gz AQCWZZSRDNPNDN-SFHVURJKSA-N 1 2 371.529 2.855 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)n2CC=C)C1 ZINC001520245109 1059529810 /nfs/dbraw/zinc/52/98/10/1059529810.db2.gz SSKMKKULRWNOPR-QRVBRYPASA-N 1 2 369.513 2.630 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)n2CC=C)C1 ZINC001520245109 1059529832 /nfs/dbraw/zinc/52/98/32/1059529832.db2.gz SSKMKKULRWNOPR-QRVBRYPASA-N 1 2 369.513 2.630 20 30 FFEDLO COc1cccc([C@@H]2CN(C(=O)C(=O)/C=C/c3ccc(F)cc3)CC[NH2+]2)c1 ZINC001454479522 1059544385 /nfs/dbraw/zinc/54/43/85/1059544385.db2.gz VGLPWBWJCBFMQT-VQFGERMISA-N 1 2 368.408 2.590 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001520305665 1059588882 /nfs/dbraw/zinc/58/88/82/1059588882.db2.gz QJWMQZWIXNLMBO-MSOLQXFVSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001520305665 1059588900 /nfs/dbraw/zinc/58/89/00/1059588900.db2.gz QJWMQZWIXNLMBO-MSOLQXFVSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@](C)(C(F)(F)F)C1 ZINC001520305163 1059589815 /nfs/dbraw/zinc/58/98/15/1059589815.db2.gz HRPLWSUTJXDPTJ-XJKSGUPXSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@](C)(C(F)(F)F)C1 ZINC001520305163 1059589833 /nfs/dbraw/zinc/58/98/33/1059589833.db2.gz HRPLWSUTJXDPTJ-XJKSGUPXSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)C1CC(C)(C)C1 ZINC001515556640 1059698504 /nfs/dbraw/zinc/69/85/04/1059698504.db2.gz VTBGVNSGMKAIIT-UHFFFAOYSA-N 1 2 361.534 2.683 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C/C=C/CC)CC1 ZINC001507724348 1059703751 /nfs/dbraw/zinc/70/37/51/1059703751.db2.gz NOFIISKXXSBCGP-RMKNXTFCSA-N 1 2 363.509 2.899 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC3CCCC3)n2Cc2ccsc2)CC1 ZINC001507729145 1059703864 /nfs/dbraw/zinc/70/38/64/1059703864.db2.gz ZDBQVXARBRPRDU-UHFFFAOYSA-N 1 2 369.538 2.876 20 30 FFEDLO C[N@@H+]1CCC[C@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCCO1 ZINC001516562643 1060145944 /nfs/dbraw/zinc/14/59/44/1060145944.db2.gz GPPBVBAGJXTBKH-SJORKVTESA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCC[C@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCCO1 ZINC001516562643 1060145954 /nfs/dbraw/zinc/14/59/54/1060145954.db2.gz GPPBVBAGJXTBKH-SJORKVTESA-N 1 2 372.517 2.744 20 30 FFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC001546092133 1060406368 /nfs/dbraw/zinc/40/63/68/1060406368.db2.gz JJABHUNRCZNCKL-LLVKDONJSA-N 1 2 354.801 2.938 20 30 FFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC001546092133 1060406377 /nfs/dbraw/zinc/40/63/77/1060406377.db2.gz JJABHUNRCZNCKL-LLVKDONJSA-N 1 2 354.801 2.938 20 30 FFEDLO C#CCSCC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC001458157848 1060527016 /nfs/dbraw/zinc/52/70/16/1060527016.db2.gz XXVFHVLUSVXVLH-LPHOPBHVSA-N 1 2 359.539 2.815 20 30 FFEDLO C#CCSCC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC001458157848 1060527038 /nfs/dbraw/zinc/52/70/38/1060527038.db2.gz XXVFHVLUSVXVLH-LPHOPBHVSA-N 1 2 359.539 2.815 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)C/C(C)=C/c1ccccc1 ZINC001355921009 1060729472 /nfs/dbraw/zinc/72/94/72/1060729472.db2.gz ZPMQGQVFIZYQSN-WARSNTDWSA-N 1 2 367.497 2.741 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)C/C(C)=C/c1ccccc1 ZINC001355921009 1060729486 /nfs/dbraw/zinc/72/94/86/1060729486.db2.gz ZPMQGQVFIZYQSN-WARSNTDWSA-N 1 2 367.497 2.741 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](CC)CC[C@H]2C)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001355957106 1060761469 /nfs/dbraw/zinc/76/14/69/1060761469.db2.gz BYRCFCHROXJEDB-WOCWXWTJSA-N 1 2 361.534 2.781 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](CC)CC[C@H]2C)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001355957106 1060761482 /nfs/dbraw/zinc/76/14/82/1060761482.db2.gz BYRCFCHROXJEDB-WOCWXWTJSA-N 1 2 361.534 2.781 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[N@H+](C[C@H](O)c2cccc(C#N)c2)C(C)(C)C1 ZINC001459624714 1060782554 /nfs/dbraw/zinc/78/25/54/1060782554.db2.gz IIBNCJXLBFCGTD-KRWDZBQOSA-N 1 2 359.470 2.923 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[N@@H+](C[C@H](O)c2cccc(C#N)c2)C(C)(C)C1 ZINC001459624714 1060782568 /nfs/dbraw/zinc/78/25/68/1060782568.db2.gz IIBNCJXLBFCGTD-KRWDZBQOSA-N 1 2 359.470 2.923 20 30 FFEDLO C=CCN(CCOC)c1nnc(C2CC2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001359281168 1060825960 /nfs/dbraw/zinc/82/59/60/1060825960.db2.gz QICJSWFJMSGEHV-KRWDZBQOSA-N 1 2 370.501 2.877 20 30 FFEDLO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+](C)Cc1cc(C#N)cs1 ZINC001460852508 1061127976 /nfs/dbraw/zinc/12/79/76/1061127976.db2.gz VYHGFWNLJNEXAH-SNVBAGLBSA-N 1 2 355.423 2.661 20 30 FFEDLO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC001460852508 1061127982 /nfs/dbraw/zinc/12/79/82/1061127982.db2.gz VYHGFWNLJNEXAH-SNVBAGLBSA-N 1 2 355.423 2.661 20 30 FFEDLO N#Cc1sccc1S(=O)(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001475619363 1061168964 /nfs/dbraw/zinc/16/89/64/1061168964.db2.gz VABZNSYRZKPMHR-AWEZNQCLSA-N 1 2 358.448 2.536 20 30 FFEDLO C#CCCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2-n2cc[nH+]c2)cc1 ZINC001526657587 1061204612 /nfs/dbraw/zinc/20/46/12/1061204612.db2.gz URXRUTBTTZAUQQ-UHFFFAOYSA-N 1 2 374.400 2.626 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001521908396 1061219332 /nfs/dbraw/zinc/21/93/32/1061219332.db2.gz CXQAHPFFVSAHTC-BRWVUGGUSA-N 1 2 360.502 2.647 20 30 FFEDLO C=CCCC(=O)NCC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001521982616 1061384746 /nfs/dbraw/zinc/38/47/46/1061384746.db2.gz QIZIFIOXEHAAHE-HZPDHXFCSA-N 1 2 354.454 2.515 20 30 FFEDLO C=C(C)CN(CC)c1nnc([C@@]2(C)C[C@H](O)C[N@@H+]2C)n1Cc1ccccc1 ZINC001522099717 1061548076 /nfs/dbraw/zinc/54/80/76/1061548076.db2.gz ANXCPNHVKUNMNR-GHTZIAJQSA-N 1 2 369.513 2.640 20 30 FFEDLO C=C(C)CN(CC)c1nnc([C@@]2(C)C[C@H](O)C[N@H+]2C)n1Cc1ccccc1 ZINC001522099717 1061548087 /nfs/dbraw/zinc/54/80/87/1061548087.db2.gz ANXCPNHVKUNMNR-GHTZIAJQSA-N 1 2 369.513 2.640 20 30 FFEDLO COc1ncc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1C#N ZINC001477077083 1061568883 /nfs/dbraw/zinc/56/88/83/1061568883.db2.gz AAZYDZVRGZHMCL-UHFFFAOYSA-N 1 2 366.356 2.608 20 30 FFEDLO Cc1nsc(N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1C#N ZINC001528443138 1061910082 /nfs/dbraw/zinc/91/00/82/1061910082.db2.gz KVBKHRRDWQRKTC-UHFFFAOYSA-N 1 2 368.378 2.694 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccccc1 ZINC001522311474 1061918905 /nfs/dbraw/zinc/91/89/05/1061918905.db2.gz IUDPEGQRIUSXAM-YLJYHZDGSA-N 1 2 368.460 2.729 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccccc1 ZINC001522311474 1061918922 /nfs/dbraw/zinc/91/89/22/1061918922.db2.gz IUDPEGQRIUSXAM-YLJYHZDGSA-N 1 2 368.460 2.729 20 30 FFEDLO C#CCSCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001463801925 1062266925 /nfs/dbraw/zinc/26/69/25/1062266925.db2.gz FVAPFQSHHCHQNY-UHFFFAOYSA-N 1 2 356.413 2.716 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2coc(C)n2)CC[C@@H]1c1ccccc1 ZINC001479617328 1062625169 /nfs/dbraw/zinc/62/51/69/1062625169.db2.gz MURLOZGTBWSYIV-WOJBJXKFSA-N 1 2 369.465 2.660 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2coc(C)n2)CC[C@@H]1c1ccccc1 ZINC001479617328 1062625179 /nfs/dbraw/zinc/62/51/79/1062625179.db2.gz MURLOZGTBWSYIV-WOJBJXKFSA-N 1 2 369.465 2.660 20 30 FFEDLO C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001479618350 1062627737 /nfs/dbraw/zinc/62/77/37/1062627737.db2.gz XFSGBJDYEBSFGU-BZUAXINKSA-N 1 2 356.363 2.884 20 30 FFEDLO C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001479618350 1062627749 /nfs/dbraw/zinc/62/77/49/1062627749.db2.gz XFSGBJDYEBSFGU-BZUAXINKSA-N 1 2 356.363 2.884 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CC[N@@H+]1CC(=O)Nc1c(C)cccc1C ZINC001479634169 1062666826 /nfs/dbraw/zinc/66/68/26/1062666826.db2.gz QDKMPNUAPFSBLK-RBUKOAKNSA-N 1 2 369.509 2.870 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CC[N@H+]1CC(=O)Nc1c(C)cccc1C ZINC001479634169 1062666830 /nfs/dbraw/zinc/66/68/30/1062666830.db2.gz QDKMPNUAPFSBLK-RBUKOAKNSA-N 1 2 369.509 2.870 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001523992171 1062682129 /nfs/dbraw/zinc/68/21/29/1062682129.db2.gz PYQXXLYYQOKZKE-DAWZGUTISA-N 1 2 374.533 2.504 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001523992171 1062682139 /nfs/dbraw/zinc/68/21/39/1062682139.db2.gz PYQXXLYYQOKZKE-DAWZGUTISA-N 1 2 374.533 2.504 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001523992170 1062682345 /nfs/dbraw/zinc/68/23/45/1062682345.db2.gz PYQXXLYYQOKZKE-ABHNRTSZSA-N 1 2 374.533 2.504 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001523992170 1062682349 /nfs/dbraw/zinc/68/23/49/1062682349.db2.gz PYQXXLYYQOKZKE-ABHNRTSZSA-N 1 2 374.533 2.504 20 30 FFEDLO COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1Cl ZINC001524045251 1062705917 /nfs/dbraw/zinc/70/59/17/1062705917.db2.gz NIZPCHIKCZKKSV-HIFRSBDPSA-N 1 2 363.845 2.869 20 30 FFEDLO COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1Cl ZINC001524045251 1062705937 /nfs/dbraw/zinc/70/59/37/1062705937.db2.gz NIZPCHIKCZKKSV-HIFRSBDPSA-N 1 2 363.845 2.869 20 30 FFEDLO C=C(C)Cn1c(CC(C)(C)C#N)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001524329549 1062801514 /nfs/dbraw/zinc/80/15/14/1062801514.db2.gz GVZUSWXMRYAXEA-UHFFFAOYSA-N 1 2 365.485 2.668 20 30 FFEDLO CCc1ccc([C@@H]2CN(S(=O)(=O)c3ccc(CC#N)cc3)CC[NH2+]2)cc1 ZINC001464885544 1062895646 /nfs/dbraw/zinc/89/56/46/1062895646.db2.gz SCAHFSURWHIPGJ-FQEVSTJZSA-N 1 2 369.490 2.650 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2CC)[C@@H]1C)c1ccccc1 ZINC001479728701 1062968007 /nfs/dbraw/zinc/96/80/07/1062968007.db2.gz RGJJESLSNPCIKX-UWVAXJGDSA-N 1 2 367.497 2.737 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2cnnn2CC)[C@@H]1C)c1ccccc1 ZINC001479728701 1062968033 /nfs/dbraw/zinc/96/80/33/1062968033.db2.gz RGJJESLSNPCIKX-UWVAXJGDSA-N 1 2 367.497 2.737 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)[C@@H](C)Sc2nc3ccccc3s2)CC1 ZINC001465278799 1063038284 /nfs/dbraw/zinc/03/82/84/1063038284.db2.gz ZMOGIGDLBWBLFQ-CQSZACIVSA-N 1 2 359.520 2.944 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)[C@@H](C)Sc2nc3ccccc3s2)CC1 ZINC001465278799 1063038303 /nfs/dbraw/zinc/03/83/03/1063038303.db2.gz ZMOGIGDLBWBLFQ-CQSZACIVSA-N 1 2 359.520 2.944 20 30 FFEDLO N#Cc1cccc2[nH]cc(C(=O)N3CC[NH+](Cc4cccc(O)c4)CC3)c21 ZINC001440770262 1063352760 /nfs/dbraw/zinc/35/27/60/1063352760.db2.gz JDQDQZHVEDSQIX-UHFFFAOYSA-N 1 2 360.417 2.703 20 30 FFEDLO CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001495564145 1063512335 /nfs/dbraw/zinc/51/23/35/1063512335.db2.gz USBSSEIICXIWAQ-ZWOKBUDYSA-N 1 2 374.533 2.642 20 30 FFEDLO C=C(C)CC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H]2CC[C@@H](F)C2)CC1 ZINC001575048533 1078100367 /nfs/dbraw/zinc/10/03/67/1078100367.db2.gz DZZIDKWSNPJOEP-HZPDHXFCSA-N 1 2 363.481 2.702 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4cn[nH]n4)cc3)C[C@@H]2C1 ZINC001575060322 1078102632 /nfs/dbraw/zinc/10/26/32/1078102632.db2.gz YIIFFTWBPBGWFR-SJORKVTESA-N 1 2 371.872 2.618 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4cn[nH]n4)cc3)C[C@@H]2C1 ZINC001575060322 1078102641 /nfs/dbraw/zinc/10/26/41/1078102641.db2.gz YIIFFTWBPBGWFR-SJORKVTESA-N 1 2 371.872 2.618 20 30 FFEDLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001471348750 1064651231 /nfs/dbraw/zinc/65/12/31/1064651231.db2.gz QXFHQYAMFQYRKC-XFWGSAIBSA-N 1 2 352.482 2.678 20 30 FFEDLO C=CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2c[nH]nn2)C1)c1ccccc1 ZINC001575079630 1078104054 /nfs/dbraw/zinc/10/40/54/1078104054.db2.gz ZEVGBBNGEZDYMJ-KVSKMBFKSA-N 1 2 353.470 2.539 20 30 FFEDLO C=CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cn[nH]n2)C1)c1ccccc1 ZINC001575079630 1078104055 /nfs/dbraw/zinc/10/40/55/1078104055.db2.gz ZEVGBBNGEZDYMJ-KVSKMBFKSA-N 1 2 353.470 2.539 20 30 FFEDLO CC(C)C#CC(=O)N(Cc1cnn[nH]1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001575317608 1078129085 /nfs/dbraw/zinc/12/90/85/1078129085.db2.gz BONNNJVBVXRRBK-UHFFFAOYSA-N 1 2 371.529 2.837 20 30 FFEDLO C[C@H](NC(=O)c1ccc(-c2cn[nH]n2)cc1)[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001575695667 1078165155 /nfs/dbraw/zinc/16/51/55/1078165155.db2.gz GKXIKGLRMFGMCX-GJZGRUSLSA-N 1 2 374.448 2.640 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001473834120 1065384649 /nfs/dbraw/zinc/38/46/49/1065384649.db2.gz PHNNJYSJKNSHJE-CHWSQXEVSA-N 1 2 367.478 2.715 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](c2ncccn2)C1 ZINC001473834120 1065384657 /nfs/dbraw/zinc/38/46/57/1065384657.db2.gz PHNNJYSJKNSHJE-CHWSQXEVSA-N 1 2 367.478 2.715 20 30 FFEDLO C=C(C)c1cccc(NC(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)c1 ZINC001553122134 1075233637 /nfs/dbraw/zinc/23/36/37/1075233637.db2.gz DWFIWTHUKHEDPN-QAPCUYQASA-N 1 2 353.426 2.595 20 30 FFEDLO C=C[C@H](O)C(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001556788697 1075775591 /nfs/dbraw/zinc/77/55/91/1075775591.db2.gz GEXSDBBXVQEQOL-MSOLQXFVSA-N 1 2 350.890 2.946 20 30 FFEDLO C=C[C@H](O)C(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001556788697 1075775594 /nfs/dbraw/zinc/77/55/94/1075775594.db2.gz GEXSDBBXVQEQOL-MSOLQXFVSA-N 1 2 350.890 2.946 20 30 FFEDLO CC(C)(CNc1ccc(C#N)c(Br)c1F)[NH+]1CCOCC1 ZINC001559048882 1076121490 /nfs/dbraw/zinc/12/14/90/1076121490.db2.gz CSPNDJQZOLZFMD-UHFFFAOYSA-N 1 2 356.239 2.983 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(c3cc(F)ccc3C#N)CC2)C1 ZINC001559206085 1076134857 /nfs/dbraw/zinc/13/48/57/1076134857.db2.gz PTRJPPOZOBUPQK-QGZVFWFLSA-N 1 2 374.460 2.829 20 30 FFEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001560093349 1076225451 /nfs/dbraw/zinc/22/54/51/1076225451.db2.gz BMRISHGPYPMRIN-LIRRHRJNSA-N 1 2 354.491 2.977 20 30 FFEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001560093349 1076225452 /nfs/dbraw/zinc/22/54/52/1076225452.db2.gz BMRISHGPYPMRIN-LIRRHRJNSA-N 1 2 354.491 2.977 20 30 FFEDLO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)Nc2oc(C)c(C)c2C#N)no1 ZINC001560095239 1076225801 /nfs/dbraw/zinc/22/58/01/1076225801.db2.gz GIUJZTPVMLSGFH-GOOCMWNKSA-N 1 2 369.425 2.809 20 30 FFEDLO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)Nc2oc(C)c(C)c2C#N)no1 ZINC001560095239 1076225805 /nfs/dbraw/zinc/22/58/05/1076225805.db2.gz GIUJZTPVMLSGFH-GOOCMWNKSA-N 1 2 369.425 2.809 20 30 FFEDLO COc1cc([C@H](C)[NH2+]Cc2cccc(F)c2C#N)ccc1S(C)(=O)=O ZINC001561050624 1076325649 /nfs/dbraw/zinc/32/56/49/1076325649.db2.gz BTEZYLWOIOXFGT-LBPRGKRZSA-N 1 2 362.426 2.960 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](CC)C2)cc1 ZINC001561456456 1076378983 /nfs/dbraw/zinc/37/89/83/1076378983.db2.gz SGGGRFPJWPAXQX-FQEVSTJZSA-N 1 2 368.502 2.953 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](CC)C2)cc1 ZINC001561456456 1076378986 /nfs/dbraw/zinc/37/89/86/1076378986.db2.gz SGGGRFPJWPAXQX-FQEVSTJZSA-N 1 2 368.502 2.953 20 30 FFEDLO Cc1ccccc1[C@@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)CC[NH2+]1 ZINC001562038779 1076472703 /nfs/dbraw/zinc/47/27/03/1076472703.db2.gz QENCUFLZLVKPND-FQEVSTJZSA-N 1 2 369.490 2.537 20 30 FFEDLO C=CCCN(OCc1ccccc1)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC001565374948 1076719625 /nfs/dbraw/zinc/71/96/25/1076719625.db2.gz NQJNNYXPEPKQDF-LJQANCHMSA-N 1 2 361.486 2.817 20 30 FFEDLO CCc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001565825102 1076771549 /nfs/dbraw/zinc/77/15/49/1076771549.db2.gz PWTRWPVPOKCRRN-HLAWJBBLSA-N 1 2 354.494 2.535 20 30 FFEDLO CCc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001565825102 1076771550 /nfs/dbraw/zinc/77/15/50/1076771550.db2.gz PWTRWPVPOKCRRN-HLAWJBBLSA-N 1 2 354.494 2.535 20 30 FFEDLO CCc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001565825103 1076771564 /nfs/dbraw/zinc/77/15/64/1076771564.db2.gz PWTRWPVPOKCRRN-SESVDKBCSA-N 1 2 354.494 2.535 20 30 FFEDLO CCc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001565825103 1076771566 /nfs/dbraw/zinc/77/15/66/1076771566.db2.gz PWTRWPVPOKCRRN-SESVDKBCSA-N 1 2 354.494 2.535 20 30 FFEDLO C=CCOCC(=O)N[C@H]1CC[N@H+](Cc2nc(C(C)(C)C)cs2)[C@@H]1C ZINC001566082466 1076889311 /nfs/dbraw/zinc/88/93/11/1076889311.db2.gz CKCOMKRVBNPAFP-KGLIPLIRSA-N 1 2 351.516 2.722 20 30 FFEDLO C=CCOCC(=O)N[C@H]1CC[N@@H+](Cc2nc(C(C)(C)C)cs2)[C@@H]1C ZINC001566082466 1076889315 /nfs/dbraw/zinc/88/93/15/1076889315.db2.gz CKCOMKRVBNPAFP-KGLIPLIRSA-N 1 2 351.516 2.722 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)CCC3(C)CC3)[C@H]2C)c1 ZINC001566107816 1076911404 /nfs/dbraw/zinc/91/14/04/1076911404.db2.gz DLOKTXWACCQTSH-APWZRJJASA-N 1 2 367.493 2.766 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)CCC3(C)CC3)[C@H]2C)c1 ZINC001566107816 1076911408 /nfs/dbraw/zinc/91/14/08/1076911408.db2.gz DLOKTXWACCQTSH-APWZRJJASA-N 1 2 367.493 2.766 20 30 FFEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@]3(C#N)CCCOC3)CC2)cc1 ZINC001569867630 1077169371 /nfs/dbraw/zinc/16/93/71/1077169371.db2.gz QZZIGWHFXKGCHE-NRFANRHFSA-N 1 2 355.482 2.775 20 30 FFEDLO C#CCCCCC(=O)N1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001571926490 1077291053 /nfs/dbraw/zinc/29/10/53/1077291053.db2.gz XRZPJCPOQOECLL-KZNAEPCWSA-N 1 2 370.497 2.594 20 30 FFEDLO C#CCCCCC(=O)N1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001571926490 1077291056 /nfs/dbraw/zinc/29/10/56/1077291056.db2.gz XRZPJCPOQOECLL-KZNAEPCWSA-N 1 2 370.497 2.594 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C)C1 ZINC001572527624 1077334692 /nfs/dbraw/zinc/33/46/92/1077334692.db2.gz OCMSGTCQXXLQQZ-FMKPAKJESA-N 1 2 358.486 2.517 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C)C1 ZINC001572527624 1077334695 /nfs/dbraw/zinc/33/46/95/1077334695.db2.gz OCMSGTCQXXLQQZ-FMKPAKJESA-N 1 2 358.486 2.517 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001574509460 1078005185 /nfs/dbraw/zinc/00/51/85/1078005185.db2.gz MQHAEIFIENOXLU-WWNBULGVSA-N 1 2 358.486 2.514 20 30 FFEDLO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC001588563860 1080099481 /nfs/dbraw/zinc/09/94/81/1080099481.db2.gz CTZNQOOQTJWHNF-LBPRGKRZSA-N 1 2 372.498 2.786 20 30 FFEDLO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC001588563860 1080099488 /nfs/dbraw/zinc/09/94/88/1080099488.db2.gz CTZNQOOQTJWHNF-LBPRGKRZSA-N 1 2 372.498 2.786 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)Cc1cccs1 ZINC001588627681 1080127096 /nfs/dbraw/zinc/12/70/96/1080127096.db2.gz FTEFDONGSRDXKY-UHFFFAOYSA-N 1 2 354.439 2.555 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)Cc1cccs1 ZINC001588627681 1080127101 /nfs/dbraw/zinc/12/71/01/1080127101.db2.gz FTEFDONGSRDXKY-UHFFFAOYSA-N 1 2 354.439 2.555 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C)n2[C@H]2C[C@H](c3ccc(F)cc3)C2)CC1 ZINC001588751397 1080180834 /nfs/dbraw/zinc/18/08/34/1080180834.db2.gz KHOMNSHDLHTNEG-UAPYVXQJSA-N 1 2 353.445 2.600 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCC(C)(F)F)CC1 ZINC001588837412 1080214640 /nfs/dbraw/zinc/21/46/40/1080214640.db2.gz TUTHZOCJSKDZTB-UHFFFAOYSA-N 1 2 353.461 2.667 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2CC(=C)Cl)CC1 ZINC001588848689 1080216843 /nfs/dbraw/zinc/21/68/43/1080216843.db2.gz LJOBZJXPRIOOCY-UHFFFAOYSA-N 1 2 369.900 2.685 20 30 FFEDLO CC(C)[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1[nH]cc[nH+]1 ZINC000276697670 256122289 /nfs/dbraw/zinc/12/22/89/256122289.db2.gz QTTLEAJNHAOITK-SFHVURJKSA-N 1 2 353.426 2.904 20 30 FFEDLO CC(C)N(C)c1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cn1 ZINC000276772512 256128783 /nfs/dbraw/zinc/12/87/83/256128783.db2.gz OYMKQOKAKPGREI-UHFFFAOYSA-N 1 2 350.470 2.515 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000277457890 256199986 /nfs/dbraw/zinc/19/99/86/256199986.db2.gz AYCDJPLASZFHGS-UHFFFAOYSA-N 1 2 360.483 2.727 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccoc3Br)CC2)cc1 ZINC000277828950 256245004 /nfs/dbraw/zinc/24/50/04/256245004.db2.gz RATMKIUVGFQCGW-UHFFFAOYSA-N 1 2 374.238 2.872 20 30 FFEDLO CCOc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1F ZINC000278405362 256309036 /nfs/dbraw/zinc/30/90/36/256309036.db2.gz GJDLLQWICJWHBM-CQSZACIVSA-N 1 2 355.417 2.597 20 30 FFEDLO CCOc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1F ZINC000278405362 256309038 /nfs/dbraw/zinc/30/90/38/256309038.db2.gz GJDLLQWICJWHBM-CQSZACIVSA-N 1 2 355.417 2.597 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCOC[C@@H]1CC(F)F)CCC2 ZINC000286575331 257043803 /nfs/dbraw/zinc/04/38/03/257043803.db2.gz UWRFJINWVVLEGN-NSHDSACASA-N 1 2 369.437 2.793 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCOC[C@@H]1CC(F)F)CCC2 ZINC000286575331 257043804 /nfs/dbraw/zinc/04/38/04/257043804.db2.gz UWRFJINWVVLEGN-NSHDSACASA-N 1 2 369.437 2.793 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287071291 257070402 /nfs/dbraw/zinc/07/04/02/257070402.db2.gz PZZTYHHRRYUUBI-NVXWUHKLSA-N 1 2 372.469 2.672 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000290322965 257325978 /nfs/dbraw/zinc/32/59/78/257325978.db2.gz OLFCLAXOIXSSBM-HNNXBMFYSA-N 1 2 368.462 2.682 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000290322965 257325979 /nfs/dbraw/zinc/32/59/79/257325979.db2.gz OLFCLAXOIXSSBM-HNNXBMFYSA-N 1 2 368.462 2.682 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCCC[C@@H]2c2ccco2)nc1 ZINC000290338695 257327078 /nfs/dbraw/zinc/32/70/78/257327078.db2.gz PHDUJNQVQSRIJU-MRXNPFEDSA-N 1 2 359.451 2.937 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCCC[C@@H]2c2ccco2)nc1 ZINC000290338695 257327079 /nfs/dbraw/zinc/32/70/79/257327079.db2.gz PHDUJNQVQSRIJU-MRXNPFEDSA-N 1 2 359.451 2.937 20 30 FFEDLO Cc1ccc(N2CC[NH+](CC(=O)Nc3ccc(Cl)cc3)CC2)nc1C#N ZINC000302612529 258106902 /nfs/dbraw/zinc/10/69/02/258106902.db2.gz FIDYBYMIWUZIFS-UHFFFAOYSA-N 1 2 369.856 2.676 20 30 FFEDLO Cc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3cccc(F)c3)CC2)nc1C#N ZINC000302673117 258107786 /nfs/dbraw/zinc/10/77/86/258107786.db2.gz SJOXVIZTWARVGE-OAHLLOKOSA-N 1 2 367.428 2.550 20 30 FFEDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000301660588 258061295 /nfs/dbraw/zinc/06/12/95/258061295.db2.gz XFGVUTZIUFRLJY-UHFFFAOYSA-N 1 2 355.360 2.652 20 30 FFEDLO CCOC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000301660588 258061297 /nfs/dbraw/zinc/06/12/97/258061297.db2.gz XFGVUTZIUFRLJY-UHFFFAOYSA-N 1 2 355.360 2.652 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])ccc1N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000301666310 258061621 /nfs/dbraw/zinc/06/16/21/258061621.db2.gz WVARLDSGBKSABS-VQTJNVASSA-N 1 2 364.405 2.556 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])ccc1N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000301666310 258061622 /nfs/dbraw/zinc/06/16/22/258061622.db2.gz WVARLDSGBKSABS-VQTJNVASSA-N 1 2 364.405 2.556 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c(C#N)c1C ZINC000331203086 258179711 /nfs/dbraw/zinc/17/97/11/258179711.db2.gz NSKZWTHXZUTCRA-WCQYABFASA-N 1 2 361.389 2.563 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c(C#N)c1C ZINC000331203086 258179712 /nfs/dbraw/zinc/17/97/12/258179712.db2.gz NSKZWTHXZUTCRA-WCQYABFASA-N 1 2 361.389 2.563 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c(C#N)c1C ZINC000331497889 258188556 /nfs/dbraw/zinc/18/85/56/258188556.db2.gz QHGKCRZDYSFAKX-UKRRQHHQSA-N 1 2 355.442 2.708 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3ccnn3C)C2)c(C#N)c1C ZINC000331497889 258188557 /nfs/dbraw/zinc/18/85/57/258188557.db2.gz QHGKCRZDYSFAKX-UKRRQHHQSA-N 1 2 355.442 2.708 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)c(Br)c1 ZINC000332300863 258224076 /nfs/dbraw/zinc/22/40/76/258224076.db2.gz KSQNJANCUMVOJP-LBPRGKRZSA-N 1 2 363.215 2.789 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)c(Br)c1 ZINC000332300863 258224077 /nfs/dbraw/zinc/22/40/77/258224077.db2.gz KSQNJANCUMVOJP-LBPRGKRZSA-N 1 2 363.215 2.789 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](C3N=NC(=O)O3)C2)c(Br)c1 ZINC000332300863 258224078 /nfs/dbraw/zinc/22/40/78/258224078.db2.gz KSQNJANCUMVOJP-LBPRGKRZSA-N 1 2 363.215 2.789 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](C3N=NC(=O)O3)C2)c(Br)c1 ZINC000332300863 258224079 /nfs/dbraw/zinc/22/40/79/258224079.db2.gz KSQNJANCUMVOJP-LBPRGKRZSA-N 1 2 363.215 2.789 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000032144845 506233750 /nfs/dbraw/zinc/23/37/50/506233750.db2.gz ZOGCVMDUFPJOLJ-UHFFFAOYSA-N 1 2 357.435 2.697 20 30 FFEDLO CCCNC(=O)C[N@H+](CCC)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000411177116 512504742 /nfs/dbraw/zinc/50/47/42/512504742.db2.gz HAFYTHGYISBXOT-OHTSDLOESA-N 1 2 364.534 2.544 20 30 FFEDLO CCCNC(=O)C[N@@H+](CCC)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000411177116 512504747 /nfs/dbraw/zinc/50/47/47/512504747.db2.gz HAFYTHGYISBXOT-OHTSDLOESA-N 1 2 364.534 2.544 20 30 FFEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000375266140 512240516 /nfs/dbraw/zinc/24/05/16/512240516.db2.gz KPCCLVXJOSOTDC-FQEVSTJZSA-N 1 2 367.497 2.960 20 30 FFEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000375266140 512240518 /nfs/dbraw/zinc/24/05/18/512240518.db2.gz KPCCLVXJOSOTDC-FQEVSTJZSA-N 1 2 367.497 2.960 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)[C@H]1C ZINC000369208378 512283474 /nfs/dbraw/zinc/28/34/74/512283474.db2.gz XLPMMYNRORLGJJ-SQNIBIBYSA-N 1 2 354.498 2.880 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc4n[nH]cc43)CC2)cc1 ZINC000042024953 506585864 /nfs/dbraw/zinc/58/58/64/506585864.db2.gz SVUJMNIUTHNOGQ-UHFFFAOYSA-N 1 2 359.433 2.783 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc4n[nH]cc43)CC2)cc1 ZINC000042024953 506585871 /nfs/dbraw/zinc/58/58/71/506585871.db2.gz SVUJMNIUTHNOGQ-UHFFFAOYSA-N 1 2 359.433 2.783 20 30 FFEDLO CNC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000007995698 506610578 /nfs/dbraw/zinc/61/05/78/506610578.db2.gz UCVHYZAPCNDUMF-UHFFFAOYSA-N 1 2 370.840 2.642 20 30 FFEDLO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000007995698 506610586 /nfs/dbraw/zinc/61/05/86/506610586.db2.gz UCVHYZAPCNDUMF-UHFFFAOYSA-N 1 2 370.840 2.642 20 30 FFEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)CSCC#N)cc1 ZINC000042390127 506624836 /nfs/dbraw/zinc/62/48/36/506624836.db2.gz LFLDWSMOZICLBX-UHFFFAOYSA-N 1 2 372.494 2.957 20 30 FFEDLO N#Cc1ccc(OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1F ZINC000066749465 506630647 /nfs/dbraw/zinc/63/06/47/506630647.db2.gz AVSYUTDIJZKMQJ-UHFFFAOYSA-N 1 2 369.396 2.547 20 30 FFEDLO Cn1ncc2c1nc[nH+]c2SCC(=O)Nc1ccccc1SCC#N ZINC000011681947 506787855 /nfs/dbraw/zinc/78/78/55/506787855.db2.gz WXQVAKFHZILUBM-UHFFFAOYSA-N 1 2 370.463 2.710 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000067227943 506798518 /nfs/dbraw/zinc/79/85/18/506798518.db2.gz FREMLTHXPXWNNG-PZJWPPBQSA-N 1 2 370.424 2.705 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000067227943 506798522 /nfs/dbraw/zinc/79/85/22/506798522.db2.gz FREMLTHXPXWNNG-PZJWPPBQSA-N 1 2 370.424 2.705 20 30 FFEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000056490016 507027159 /nfs/dbraw/zinc/02/71/59/507027159.db2.gz WQKGOGJQAHRRLW-ZDUSSCGKSA-N 1 2 356.297 2.974 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+]([C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000367056621 512316711 /nfs/dbraw/zinc/31/67/11/512316711.db2.gz AEVPUQSTFQOWOT-SFHVURJKSA-N 1 2 364.424 2.883 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCOc3ccccc3F)CC2)cc1 ZINC000017843381 507129819 /nfs/dbraw/zinc/12/98/19/507129819.db2.gz RTPIJTMLNBSULB-UHFFFAOYSA-N 1 2 367.424 2.811 20 30 FFEDLO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000046529320 507150329 /nfs/dbraw/zinc/15/03/29/507150329.db2.gz HMRKESZQYCOVGE-UHFFFAOYSA-N 1 2 353.422 2.995 20 30 FFEDLO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000046529320 507150338 /nfs/dbraw/zinc/15/03/38/507150338.db2.gz HMRKESZQYCOVGE-UHFFFAOYSA-N 1 2 353.422 2.995 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000068476566 507243855 /nfs/dbraw/zinc/24/38/55/507243855.db2.gz RXGNOVHSADWMBE-MRXNPFEDSA-N 1 2 359.470 2.831 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000068476566 507243861 /nfs/dbraw/zinc/24/38/61/507243861.db2.gz RXGNOVHSADWMBE-MRXNPFEDSA-N 1 2 359.470 2.831 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cncn3-c3ccccc3)CC2)cc1 ZINC000021783514 507266390 /nfs/dbraw/zinc/26/63/90/507266390.db2.gz GPCBCCWANWAQHF-UHFFFAOYSA-N 1 2 371.444 2.702 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1cccc(C#N)c1 ZINC000068827204 507336623 /nfs/dbraw/zinc/33/66/23/507336623.db2.gz QITAUWVHIFBVCQ-UHFFFAOYSA-N 1 2 360.417 2.532 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1cccc(C#N)c1 ZINC000068827204 507336630 /nfs/dbraw/zinc/33/66/30/507336630.db2.gz QITAUWVHIFBVCQ-UHFFFAOYSA-N 1 2 360.417 2.532 20 30 FFEDLO CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000057907699 507350436 /nfs/dbraw/zinc/35/04/36/507350436.db2.gz QECSMEZDFMUVTN-UHFFFAOYSA-N 1 2 350.260 2.643 20 30 FFEDLO C[C@@H](NC(=O)C[NH+]1CCC(C#N)CC1)c1ccc(Br)cc1 ZINC000057907082 507350925 /nfs/dbraw/zinc/35/09/25/507350925.db2.gz UIICBPMYOHOWCG-GFCCVEGCSA-N 1 2 350.260 2.862 20 30 FFEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc2c(c1)OCCO2 ZINC000058829760 507469346 /nfs/dbraw/zinc/46/93/46/507469346.db2.gz CWAFKDZZVPPYQA-UHFFFAOYSA-N 1 2 365.433 2.836 20 30 FFEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc2c(c1)OCCO2 ZINC000058829760 507469353 /nfs/dbraw/zinc/46/93/53/507469353.db2.gz CWAFKDZZVPPYQA-UHFFFAOYSA-N 1 2 365.433 2.836 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c(C#N)c1C ZINC000375463810 512341838 /nfs/dbraw/zinc/34/18/38/512341838.db2.gz GGLDVBLPBNTQQD-BXUZGUMPSA-N 1 2 369.425 2.845 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c(C#N)c1C ZINC000375463810 512341841 /nfs/dbraw/zinc/34/18/41/512341841.db2.gz GGLDVBLPBNTQQD-BXUZGUMPSA-N 1 2 369.425 2.845 20 30 FFEDLO C=CCNC(=O)[C@H](C)Sc1nnc([C@@H](CC)[NH+](C)C)n1CCCC ZINC000069449771 507492252 /nfs/dbraw/zinc/49/22/52/507492252.db2.gz PGIGQOKIVVKWKP-UONOGXRCSA-N 1 2 353.536 2.874 20 30 FFEDLO N#Cc1ccc(CCC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000027147090 507635072 /nfs/dbraw/zinc/63/50/72/507635072.db2.gz AYIZHAQNOISGBS-NRFANRHFSA-N 1 2 363.461 2.681 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CCCC[C@@H]1C(=O)OCC)Cc1cccs1 ZINC000050274366 507676045 /nfs/dbraw/zinc/67/60/45/507676045.db2.gz HGTMMMFUGHZVNG-MRXNPFEDSA-N 1 2 350.484 2.680 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CCCC[C@@H]1C(=O)OCC)Cc1cccs1 ZINC000050274366 507676048 /nfs/dbraw/zinc/67/60/48/507676048.db2.gz HGTMMMFUGHZVNG-MRXNPFEDSA-N 1 2 350.484 2.680 20 30 FFEDLO CC(=O)NC1CC[NH+](CC(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000050991304 507722237 /nfs/dbraw/zinc/72/22/37/507722237.db2.gz KHILZPSTUDXUJA-UHFFFAOYSA-N 1 2 358.467 2.999 20 30 FFEDLO COc1cc(OC)cc([C@@H](NC[C@H](C#N)CCC#N)c2[nH+]ccn2C)c1 ZINC000028692536 507737157 /nfs/dbraw/zinc/73/71/57/507737157.db2.gz BOVGZZWIYZTHNF-KBXCAEBGSA-N 1 2 353.426 2.560 20 30 FFEDLO C[C@@H](Sc1[nH+]cnc2c1cnn2C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000028762883 507739770 /nfs/dbraw/zinc/73/97/70/507739770.db2.gz ZOZULHFVAFQAOK-YNAXMUEKSA-N 1 2 372.498 2.775 20 30 FFEDLO CC(C)c1cccc(NC(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000029448077 507778043 /nfs/dbraw/zinc/77/80/43/507778043.db2.gz NBUUVSRQBAHYRP-UHFFFAOYSA-N 1 2 363.465 2.837 20 30 FFEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1 ZINC000052099886 507796616 /nfs/dbraw/zinc/79/66/16/507796616.db2.gz LTYXLNWAVXPEPB-UHFFFAOYSA-N 1 2 358.445 2.926 20 30 FFEDLO Cc1cc(C(=O)N2CC[NH+](CCOc3cccc(C#N)c3)CC2)c(C)o1 ZINC000052242703 507803842 /nfs/dbraw/zinc/80/38/42/507803842.db2.gz ZILXHUSAVPEWNV-UHFFFAOYSA-N 1 2 353.422 2.605 20 30 FFEDLO C[C@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)N(C)CCC#N ZINC000052430425 507808700 /nfs/dbraw/zinc/80/87/00/507808700.db2.gz UNKWPFODCRDDPG-ZDUSSCGKSA-N 1 2 366.450 2.668 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000052562470 507814069 /nfs/dbraw/zinc/81/40/69/507814069.db2.gz BRNOXIDGHWILEC-UWJYYQICSA-N 1 2 350.466 2.901 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000052562470 507814070 /nfs/dbraw/zinc/81/40/70/507814070.db2.gz BRNOXIDGHWILEC-UWJYYQICSA-N 1 2 350.466 2.901 20 30 FFEDLO CC(C)N(C(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000052660807 507817094 /nfs/dbraw/zinc/81/70/94/507817094.db2.gz NVMDWYVSZKUPQX-GOSISDBHSA-N 1 2 356.514 2.710 20 30 FFEDLO CC(C)N(C(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000052660807 507817096 /nfs/dbraw/zinc/81/70/96/507817096.db2.gz NVMDWYVSZKUPQX-GOSISDBHSA-N 1 2 356.514 2.710 20 30 FFEDLO CC(C)N(C(=O)[C@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000052660808 507817232 /nfs/dbraw/zinc/81/72/32/507817232.db2.gz NVMDWYVSZKUPQX-SFHVURJKSA-N 1 2 356.514 2.710 20 30 FFEDLO CC(C)N(C(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000052660808 507817233 /nfs/dbraw/zinc/81/72/33/507817233.db2.gz NVMDWYVSZKUPQX-SFHVURJKSA-N 1 2 356.514 2.710 20 30 FFEDLO N#Cc1cc(F)c(NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)c(F)c1 ZINC000078445618 507871636 /nfs/dbraw/zinc/87/16/36/507871636.db2.gz FZWGWPRZBHKJMB-UHFFFAOYSA-N 1 2 371.391 2.545 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(C(F)F)c1 ZINC000078540017 507881097 /nfs/dbraw/zinc/88/10/97/507881097.db2.gz MABSROKVTLXBRU-UHFFFAOYSA-N 1 2 352.385 2.704 20 30 FFEDLO CCCCN(CCCC)C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108554 507894687 /nfs/dbraw/zinc/89/46/87/507894687.db2.gz IZFGRGVOSHRLHZ-UHFFFAOYSA-N 1 2 357.502 2.504 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000108528786 507901331 /nfs/dbraw/zinc/90/13/31/507901331.db2.gz BDHPWKYRGNXQHA-LSDHHAIUSA-N 1 2 362.499 2.781 20 30 FFEDLO N#C[C@H]1COCCN1C(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000090617963 507930608 /nfs/dbraw/zinc/93/06/08/507930608.db2.gz UDMZTVYMNATNSG-INIZCTEOSA-N 1 2 352.438 2.835 20 30 FFEDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000109157219 507943715 /nfs/dbraw/zinc/94/37/15/507943715.db2.gz AZDWXSRUKIHLSC-UHFFFAOYSA-N 1 2 363.461 2.882 20 30 FFEDLO C=C(C)CSc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000079575972 507977616 /nfs/dbraw/zinc/97/76/16/507977616.db2.gz QLDMPDAZFAKDPJ-UHFFFAOYSA-N 1 2 365.524 2.849 20 30 FFEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000091980914 508029531 /nfs/dbraw/zinc/02/95/31/508029531.db2.gz GWISMYNYDYQCGA-MGPUTAFESA-N 1 2 366.440 2.603 20 30 FFEDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000092042449 508036314 /nfs/dbraw/zinc/03/63/14/508036314.db2.gz LIDPKUADGFMCJY-IERDGZPVSA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000092042449 508036316 /nfs/dbraw/zinc/03/63/16/508036316.db2.gz LIDPKUADGFMCJY-IERDGZPVSA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000092042293 508036320 /nfs/dbraw/zinc/03/63/20/508036320.db2.gz IYWZPXUEXVHRFN-IIBYNOLFSA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000092042293 508036321 /nfs/dbraw/zinc/03/63/21/508036321.db2.gz IYWZPXUEXVHRFN-IIBYNOLFSA-N 1 2 352.434 2.719 20 30 FFEDLO CN(C)c1[nH+]cccc1CNC(=O)CCCCOc1cccc(C#N)c1 ZINC000110629658 508038051 /nfs/dbraw/zinc/03/80/51/508038051.db2.gz DHOXAYPQQWUDOW-UHFFFAOYSA-N 1 2 352.438 2.885 20 30 FFEDLO Cc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)c(OCC(=O)N(C)C)c1 ZINC000092138056 508046196 /nfs/dbraw/zinc/04/61/96/508046196.db2.gz CGAQJBYBNAOFID-UHFFFAOYSA-N 1 2 363.421 2.594 20 30 FFEDLO N#Cc1csc(C[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000092453985 508072149 /nfs/dbraw/zinc/07/21/49/508072149.db2.gz KDBVIFWHHBZXPJ-UHFFFAOYSA-N 1 2 361.492 2.516 20 30 FFEDLO N#Cc1csc(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000092453985 508072151 /nfs/dbraw/zinc/07/21/51/508072151.db2.gz KDBVIFWHHBZXPJ-UHFFFAOYSA-N 1 2 361.492 2.516 20 30 FFEDLO N#Cc1ccc2ncc(C[N@H+]3CCCC[C@@H]3CNC(=O)c3ccccc3)n2c1 ZINC000092784306 508101011 /nfs/dbraw/zinc/10/10/11/508101011.db2.gz PEPZQDQXRZISIZ-LJQANCHMSA-N 1 2 373.460 2.990 20 30 FFEDLO N#Cc1ccc2ncc(C[N@@H+]3CCCC[C@@H]3CNC(=O)c3ccccc3)n2c1 ZINC000092784306 508101014 /nfs/dbraw/zinc/10/10/14/508101014.db2.gz PEPZQDQXRZISIZ-LJQANCHMSA-N 1 2 373.460 2.990 20 30 FFEDLO C=CCc1cc(C[N@@H+](CC)[C@H](C)CS(=O)(=O)CC)cc(OC)c1O ZINC000093413912 508145330 /nfs/dbraw/zinc/14/53/30/508145330.db2.gz CRZVTEBTDFLMQQ-CQSZACIVSA-N 1 2 355.500 2.774 20 30 FFEDLO C=CCc1cc(C[N@H+](CC)[C@H](C)CS(=O)(=O)CC)cc(OC)c1O ZINC000093413912 508145331 /nfs/dbraw/zinc/14/53/31/508145331.db2.gz CRZVTEBTDFLMQQ-CQSZACIVSA-N 1 2 355.500 2.774 20 30 FFEDLO Cc1nc(N2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)sc1C ZINC000093688889 508152760 /nfs/dbraw/zinc/15/27/60/508152760.db2.gz MPONSOYUSDLKNS-UHFFFAOYSA-N 1 2 352.467 2.602 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccccc1OCC(F)(F)F ZINC000081530528 508186141 /nfs/dbraw/zinc/18/61/41/508186141.db2.gz DRFCXTKAGYPSQS-UHFFFAOYSA-N 1 2 371.403 2.676 20 30 FFEDLO N#CCCN(CCOc1ccc2ccccc2c1)CC[NH+]1CCOCC1 ZINC000081531769 508186185 /nfs/dbraw/zinc/18/61/85/508186185.db2.gz NVSHKSZFXDTIEZ-UHFFFAOYSA-N 1 2 353.466 2.766 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCOc4ccccc43)CC2)cc1 ZINC000076840153 508257732 /nfs/dbraw/zinc/25/77/32/508257732.db2.gz MYXUZRCKRLPUFF-HXUWFJFHSA-N 1 2 361.445 2.769 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1sccc1C#N ZINC000102859915 508287621 /nfs/dbraw/zinc/28/76/21/508287621.db2.gz MSHDVBTWDZCNAI-INIZCTEOSA-N 1 2 369.490 2.983 20 30 FFEDLO CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000085438875 508309202 /nfs/dbraw/zinc/30/92/02/508309202.db2.gz KCWQJKMTLSZAQH-MRXNPFEDSA-N 1 2 353.426 2.580 20 30 FFEDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000103481729 508314690 /nfs/dbraw/zinc/31/46/90/508314690.db2.gz SOLUJMHSDYUWKR-AWEZNQCLSA-N 1 2 368.462 2.651 20 30 FFEDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000103481729 508314692 /nfs/dbraw/zinc/31/46/92/508314692.db2.gz SOLUJMHSDYUWKR-AWEZNQCLSA-N 1 2 368.462 2.651 20 30 FFEDLO COc1cccc(NC2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1 ZINC000115544326 508407203 /nfs/dbraw/zinc/40/72/03/508407203.db2.gz FZGHQTKILUZKJO-HXUWFJFHSA-N 1 2 364.449 2.670 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000156420352 508417984 /nfs/dbraw/zinc/41/79/84/508417984.db2.gz ZUVWTUGGOJVMIP-UHFFFAOYSA-N 1 2 359.367 2.892 20 30 FFEDLO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(C#N)cc1)c1c(F)cccc1F ZINC000115795885 508438271 /nfs/dbraw/zinc/43/82/71/508438271.db2.gz PWZAQRXQXQEQEN-KRWDZBQOSA-N 1 2 358.392 2.939 20 30 FFEDLO Cc1cccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000156860891 508487779 /nfs/dbraw/zinc/48/77/79/508487779.db2.gz LFVQBPALLOVAPT-IBGZPJMESA-N 1 2 355.463 2.873 20 30 FFEDLO Cc1cccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000156860891 508487781 /nfs/dbraw/zinc/48/77/81/508487781.db2.gz LFVQBPALLOVAPT-IBGZPJMESA-N 1 2 355.463 2.873 20 30 FFEDLO COc1ccc(C[N@H+](CCO)Cc2cc(C#N)ccc2OC)c(OC)c1 ZINC000122177337 508493416 /nfs/dbraw/zinc/49/34/16/508493416.db2.gz PQOUOZGZABXDTI-UHFFFAOYSA-N 1 2 356.422 2.579 20 30 FFEDLO COc1ccc(C[N@@H+](CCO)Cc2cc(C#N)ccc2OC)c(OC)c1 ZINC000122177337 508493420 /nfs/dbraw/zinc/49/34/20/508493420.db2.gz PQOUOZGZABXDTI-UHFFFAOYSA-N 1 2 356.422 2.579 20 30 FFEDLO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000134225941 508509915 /nfs/dbraw/zinc/50/99/15/508509915.db2.gz QYTRQFRKFCIKGM-YWZLYKJASA-N 1 2 370.474 2.656 20 30 FFEDLO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000134225941 508509916 /nfs/dbraw/zinc/50/99/16/508509916.db2.gz QYTRQFRKFCIKGM-YWZLYKJASA-N 1 2 370.474 2.656 20 30 FFEDLO N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000122491079 508543199 /nfs/dbraw/zinc/54/31/99/508543199.db2.gz CIXJNELITHDAHJ-UHFFFAOYSA-N 1 2 374.404 2.776 20 30 FFEDLO CC1CCN(c2ccc(CNC(=O)CNc3cccc(C#N)c3)c[nH+]2)CC1 ZINC000153284706 508567259 /nfs/dbraw/zinc/56/72/59/508567259.db2.gz RYJSSSXNNVHMRZ-UHFFFAOYSA-N 1 2 363.465 2.918 20 30 FFEDLO COc1cc(C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C2CC2)ccc1O ZINC000128353007 508581188 /nfs/dbraw/zinc/58/11/88/508581188.db2.gz YZRANIXZXKEMFT-UHFFFAOYSA-N 1 2 351.406 2.876 20 30 FFEDLO COc1cc(C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C2CC2)ccc1O ZINC000128353007 508581191 /nfs/dbraw/zinc/58/11/91/508581191.db2.gz YZRANIXZXKEMFT-UHFFFAOYSA-N 1 2 351.406 2.876 20 30 FFEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)CCN1CC(F)F ZINC000153498048 508589818 /nfs/dbraw/zinc/58/98/18/508589818.db2.gz UFMHKBSVXPDIKQ-INIZCTEOSA-N 1 2 364.440 2.595 20 30 FFEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CCN1CC(F)F ZINC000153498048 508589823 /nfs/dbraw/zinc/58/98/23/508589823.db2.gz UFMHKBSVXPDIKQ-INIZCTEOSA-N 1 2 364.440 2.595 20 30 FFEDLO C[C@H]1CCc2nc(C[NH+]3CCN(c4ncccc4C#N)CC3)sc2C1 ZINC000122938156 508610007 /nfs/dbraw/zinc/61/00/07/508610007.db2.gz HYJQHLWZRCPHSH-AWEZNQCLSA-N 1 2 353.495 2.857 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000117891928 508621776 /nfs/dbraw/zinc/62/17/76/508621776.db2.gz XAIYYHOEJKQTIQ-SFHVURJKSA-N 1 2 373.497 2.831 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000117891928 508621781 /nfs/dbraw/zinc/62/17/81/508621781.db2.gz XAIYYHOEJKQTIQ-SFHVURJKSA-N 1 2 373.497 2.831 20 30 FFEDLO CC(C)(C)OC1CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000128693553 508629832 /nfs/dbraw/zinc/62/98/32/508629832.db2.gz VEIRXKCGTSJHDG-UHFFFAOYSA-N 1 2 350.484 2.611 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000158133011 508661471 /nfs/dbraw/zinc/66/14/71/508661471.db2.gz DXKPGJCPNWXKNX-AWEZNQCLSA-N 1 2 372.450 2.505 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000158133011 508661475 /nfs/dbraw/zinc/66/14/75/508661475.db2.gz DXKPGJCPNWXKNX-AWEZNQCLSA-N 1 2 372.450 2.505 20 30 FFEDLO N#Cc1ccc(OC2C[NH+](C[C@@H](O)COCc3ccccc3Cl)C2)cc1 ZINC000158556653 508721200 /nfs/dbraw/zinc/72/12/00/508721200.db2.gz MWXIXHKGZOPXIS-QGZVFWFLSA-N 1 2 372.852 2.852 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000154799802 508858131 /nfs/dbraw/zinc/85/81/31/508858131.db2.gz DPMHDSMKCRJRGV-UHFFFAOYSA-N 1 2 373.831 2.989 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccccc1OC(F)(F)F ZINC000154812255 508860618 /nfs/dbraw/zinc/86/06/18/508860618.db2.gz VTIRFUINSXCHSJ-UHFFFAOYSA-N 1 2 357.376 2.633 20 30 FFEDLO N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCCn1cc[nH+]c1 ZINC000159725720 508880664 /nfs/dbraw/zinc/88/06/64/508880664.db2.gz KIZCWIYXAVNAHH-UHFFFAOYSA-N 1 2 364.434 2.777 20 30 FFEDLO CN(C(=O)C[NH+]1CCN(Cc2ccc(F)c(C#N)c2)CC1)C1CCCCC1 ZINC000119912394 508888923 /nfs/dbraw/zinc/88/89/23/508888923.db2.gz QEDVJDQLLQXSHQ-UHFFFAOYSA-N 1 2 372.488 2.606 20 30 FFEDLO Cc1ccccc1[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000120237208 508955806 /nfs/dbraw/zinc/95/58/06/508955806.db2.gz SDXMYZVQAGKRPY-KRWDZBQOSA-N 1 2 369.490 2.934 20 30 FFEDLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)cc1 ZINC000120480232 509005749 /nfs/dbraw/zinc/00/57/49/509005749.db2.gz OHTMLXSUPOISHU-UHFFFAOYSA-N 1 2 365.433 2.533 20 30 FFEDLO N#Cc1cc(C[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)ccc1F ZINC000160619266 509011015 /nfs/dbraw/zinc/01/10/15/509011015.db2.gz ANZRIIZAMDUATC-UHFFFAOYSA-N 1 2 373.453 2.640 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000120844294 509074989 /nfs/dbraw/zinc/07/49/89/509074989.db2.gz AOYXVXYNMFPDES-UHFFFAOYSA-N 1 2 368.437 2.786 20 30 FFEDLO Cc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1C ZINC000161394962 509110749 /nfs/dbraw/zinc/11/07/49/509110749.db2.gz HJWIXCSGNMSGGL-UHFFFAOYSA-N 1 2 369.490 2.682 20 30 FFEDLO Cc1cccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1C#N ZINC000156125821 509131648 /nfs/dbraw/zinc/13/16/48/509131648.db2.gz XPRGPRCRXUSFHE-KRWDZBQOSA-N 1 2 373.478 2.965 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000156134252 509132457 /nfs/dbraw/zinc/13/24/57/509132457.db2.gz WOAKLFLEAGWFCC-INIZCTEOSA-N 1 2 354.406 2.633 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000156134252 509132459 /nfs/dbraw/zinc/13/24/59/509132459.db2.gz WOAKLFLEAGWFCC-INIZCTEOSA-N 1 2 354.406 2.633 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1OC ZINC000121197245 509148594 /nfs/dbraw/zinc/14/85/94/509148594.db2.gz CEPVREABDKGYJD-KRWDZBQOSA-N 1 2 354.406 2.949 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCN(c4cccs4)CC3)o2)cc1 ZINC000121307956 509165357 /nfs/dbraw/zinc/16/53/57/509165357.db2.gz JJCLQHGAKBFHPW-UHFFFAOYSA-N 1 2 351.435 2.992 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000121401068 509172177 /nfs/dbraw/zinc/17/21/77/509172177.db2.gz UZFUTJQOANUFKV-CJFMBICVSA-N 1 2 353.491 2.677 20 30 FFEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000191808564 509192607 /nfs/dbraw/zinc/19/26/07/509192607.db2.gz NNZRBINBVBTDIP-CYBMUJFWSA-N 1 2 369.284 2.801 20 30 FFEDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000191808564 509192611 /nfs/dbraw/zinc/19/26/11/509192611.db2.gz NNZRBINBVBTDIP-CYBMUJFWSA-N 1 2 369.284 2.801 20 30 FFEDLO C[C@H](NC(=O)N1CCC[N@H+](Cc2cscn2)CC1)c1ccc(C#N)cc1 ZINC000263875715 509200696 /nfs/dbraw/zinc/20/06/96/509200696.db2.gz PLGKXKSRKPTWMG-HNNXBMFYSA-N 1 2 369.494 2.993 20 30 FFEDLO C[C@H](NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1)c1ccc(C#N)cc1 ZINC000263875715 509200701 /nfs/dbraw/zinc/20/07/01/509200701.db2.gz PLGKXKSRKPTWMG-HNNXBMFYSA-N 1 2 369.494 2.993 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000247974918 509205489 /nfs/dbraw/zinc/20/54/89/509205489.db2.gz KPHRULSXDKCREP-RBBKRZOGSA-N 1 2 369.461 2.934 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000247974918 509205496 /nfs/dbraw/zinc/20/54/96/509205496.db2.gz KPHRULSXDKCREP-RBBKRZOGSA-N 1 2 369.461 2.934 20 30 FFEDLO CCOCCNC(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000175925275 509219362 /nfs/dbraw/zinc/21/93/62/509219362.db2.gz CDERNOLJVUTRBD-UHFFFAOYSA-N 1 2 369.440 2.852 20 30 FFEDLO CCOCCNC(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000175925275 509219365 /nfs/dbraw/zinc/21/93/65/509219365.db2.gz CDERNOLJVUTRBD-UHFFFAOYSA-N 1 2 369.440 2.852 20 30 FFEDLO O=C(CN1CC[NH+](CC#Cc2ccccc2)CC1)Nc1ccccc1Cl ZINC000191887401 509231499 /nfs/dbraw/zinc/23/14/99/509231499.db2.gz RTABMHYJRDYDPY-UHFFFAOYSA-N 1 2 367.880 2.948 20 30 FFEDLO N#Cc1c(NC[C@H](c2cccs2)[NH+]2CCOCC2)nc2ccccn12 ZINC000263971834 509256787 /nfs/dbraw/zinc/25/67/87/509256787.db2.gz MOWISMIVZFRMBQ-OAHLLOKOSA-N 1 2 353.451 2.753 20 30 FFEDLO C[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]1CO ZINC000162923627 509319236 /nfs/dbraw/zinc/31/92/36/509319236.db2.gz RBUUOOKKBSSYCE-XJKSGUPXSA-N 1 2 361.511 2.920 20 30 FFEDLO C[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]1CO ZINC000162923627 509319244 /nfs/dbraw/zinc/31/92/44/509319244.db2.gz RBUUOOKKBSSYCE-XJKSGUPXSA-N 1 2 361.511 2.920 20 30 FFEDLO COc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(C)C)cc1OCCCC#N ZINC000188914044 509322037 /nfs/dbraw/zinc/32/20/37/509322037.db2.gz DHJRJHONHQTABM-QGZVFWFLSA-N 1 2 359.470 2.724 20 30 FFEDLO COc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(C)C)cc1OCCCC#N ZINC000188914044 509322044 /nfs/dbraw/zinc/32/20/44/509322044.db2.gz DHJRJHONHQTABM-QGZVFWFLSA-N 1 2 359.470 2.724 20 30 FFEDLO C=CC[N@@H+](Cc1cc(F)cc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000267145069 509365374 /nfs/dbraw/zinc/36/53/74/509365374.db2.gz KCZMAJJIAPENHL-AWEZNQCLSA-N 1 2 362.264 2.763 20 30 FFEDLO C=CC[N@H+](Cc1cc(F)cc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000267145069 509365379 /nfs/dbraw/zinc/36/53/79/509365379.db2.gz KCZMAJJIAPENHL-AWEZNQCLSA-N 1 2 362.264 2.763 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cc1F ZINC000192171867 509388452 /nfs/dbraw/zinc/38/84/52/509388452.db2.gz ZKEFJLYEUOPOSX-KRWDZBQOSA-N 1 2 365.474 2.524 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cc1F ZINC000192171867 509388458 /nfs/dbraw/zinc/38/84/58/509388458.db2.gz ZKEFJLYEUOPOSX-KRWDZBQOSA-N 1 2 365.474 2.524 20 30 FFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)NCc1ccc(C#N)cc1 ZINC000264233462 509399746 /nfs/dbraw/zinc/39/97/46/509399746.db2.gz FVYAZHLUYYWLQA-UHFFFAOYSA-N 1 2 351.332 2.659 20 30 FFEDLO COc1ccc(C#N)cc1NC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000264243140 509405538 /nfs/dbraw/zinc/40/55/38/509405538.db2.gz NNTLUSQIEYLDDL-UHFFFAOYSA-N 1 2 367.331 2.990 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c(C#N)c1C ZINC000179514790 509490112 /nfs/dbraw/zinc/49/01/12/509490112.db2.gz PFCUCVPWUUEHTB-AWEZNQCLSA-N 1 2 368.441 2.582 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c(C#N)c1C ZINC000179514790 509490124 /nfs/dbraw/zinc/49/01/24/509490124.db2.gz PFCUCVPWUUEHTB-AWEZNQCLSA-N 1 2 368.441 2.582 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](CCOc3ccc(F)cc3Cl)CC2)nc1 ZINC000179604140 509531827 /nfs/dbraw/zinc/53/18/27/509531827.db2.gz MCSPTIBNMAKJDE-UHFFFAOYSA-N 1 2 360.820 2.947 20 30 FFEDLO C=C1CC[NH+](CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)CC1 ZINC000264490067 509558903 /nfs/dbraw/zinc/55/89/03/509558903.db2.gz SJNQPPWOURHUFB-UHFFFAOYSA-N 1 2 365.359 2.877 20 30 FFEDLO N#CC1(NC(=O)CN2CC[NH+](Cc3ccccc3Cl)CC2)CCCCC1 ZINC000165794210 509585248 /nfs/dbraw/zinc/58/52/48/509585248.db2.gz CZJVSZIYWLQRGU-UHFFFAOYSA-N 1 2 374.916 2.800 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179736631 509597875 /nfs/dbraw/zinc/59/78/75/509597875.db2.gz UMDPLSXZYXLEIY-QUCCMNQESA-N 1 2 355.388 2.941 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179736631 509597882 /nfs/dbraw/zinc/59/78/82/509597882.db2.gz UMDPLSXZYXLEIY-QUCCMNQESA-N 1 2 355.388 2.941 20 30 FFEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000173440588 509600401 /nfs/dbraw/zinc/60/04/01/509600401.db2.gz CSOYRDMNEKHSSF-UHFFFAOYSA-N 1 2 369.469 2.769 20 30 FFEDLO Cc1nc(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)ccc1C#N ZINC000176604684 509607189 /nfs/dbraw/zinc/60/71/89/509607189.db2.gz KCBZSNOMKGUSOP-DYVFJYSZSA-N 1 2 370.478 2.515 20 30 FFEDLO Cc1nc(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)ccc1C#N ZINC000176604684 509607194 /nfs/dbraw/zinc/60/71/94/509607194.db2.gz KCBZSNOMKGUSOP-DYVFJYSZSA-N 1 2 370.478 2.515 20 30 FFEDLO Cc1ccc(C#N)c(N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)n1 ZINC000179767082 509613628 /nfs/dbraw/zinc/61/36/28/509613628.db2.gz CEUWIPCXAFOZPH-UHFFFAOYSA-N 1 2 366.856 2.885 20 30 FFEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)NC3CCCCC3)CC2)cc1 ZINC000264593741 509616214 /nfs/dbraw/zinc/61/62/14/509616214.db2.gz ZTEFGXOURWILFF-UHFFFAOYSA-N 1 2 356.470 2.749 20 30 FFEDLO CC(C)c1nnc2n1CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]2C ZINC000189522496 509618046 /nfs/dbraw/zinc/61/80/46/509618046.db2.gz APIPQUROCVSOJF-AWEZNQCLSA-N 1 2 352.442 2.679 20 30 FFEDLO CC(C)c1nnc2n1CC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]2C ZINC000189522496 509618051 /nfs/dbraw/zinc/61/80/51/509618051.db2.gz APIPQUROCVSOJF-AWEZNQCLSA-N 1 2 352.442 2.679 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000186352497 509665351 /nfs/dbraw/zinc/66/53/51/509665351.db2.gz XMFCJSPMQNZGBP-HNNXBMFYSA-N 1 2 364.405 2.985 20 30 FFEDLO C[C@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H](CO)O1 ZINC000249386652 509666154 /nfs/dbraw/zinc/66/61/54/509666154.db2.gz RFVPGTPJMKQLNH-KKSFZXQISA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H](CO)O1 ZINC000249386652 509666162 /nfs/dbraw/zinc/66/61/62/509666162.db2.gz RFVPGTPJMKQLNH-KKSFZXQISA-N 1 2 352.434 2.719 20 30 FFEDLO N#CCCCOc1cccnc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000186442349 509711177 /nfs/dbraw/zinc/71/11/77/509711177.db2.gz KSSDYAOOZFOUJA-UHFFFAOYSA-N 1 2 354.414 2.783 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)Cn2nc(C(F)(F)F)c3c[nH+]ccc32)cc1 ZINC000193004766 509734029 /nfs/dbraw/zinc/73/40/29/509734029.db2.gz GOBGOFDHEXDIDN-GFCCVEGCSA-N 1 2 362.311 2.762 20 30 FFEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(O)c1 ZINC000264884350 509756095 /nfs/dbraw/zinc/75/60/95/509756095.db2.gz ORUSNIRQEFVJFC-INIZCTEOSA-N 1 2 364.449 2.852 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1)C1CC1 ZINC000251028902 509805210 /nfs/dbraw/zinc/80/52/10/509805210.db2.gz JMBLSBLCCNRNPD-QUCCMNQESA-N 1 2 359.445 2.615 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1)C1CC1 ZINC000251028902 509805214 /nfs/dbraw/zinc/80/52/14/509805214.db2.gz JMBLSBLCCNRNPD-QUCCMNQESA-N 1 2 359.445 2.615 20 30 FFEDLO C[C@@H](O[NH+]=C(N)c1ccc(N2CCCCC2)nc1)C(=O)Nc1ccccc1 ZINC000264975184 509806430 /nfs/dbraw/zinc/80/64/30/509806430.db2.gz QADXLFFBJATNJL-OAHLLOKOSA-N 1 2 367.453 2.736 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000183946994 510050587 /nfs/dbraw/zinc/05/05/87/510050587.db2.gz MAWFUMWMNCVBFA-INIZCTEOSA-N 1 2 367.424 2.982 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)O[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000177479295 510085240 /nfs/dbraw/zinc/08/52/40/510085240.db2.gz WHPQTUPCQFXMNQ-MRXNPFEDSA-N 1 2 373.501 2.522 20 30 FFEDLO C=C(C)COCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245689464 510087823 /nfs/dbraw/zinc/08/78/23/510087823.db2.gz OKNACVOVPMGNMB-IRXDYDNUSA-N 1 2 353.413 2.602 20 30 FFEDLO C=C(C)COCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245689464 510087832 /nfs/dbraw/zinc/08/78/32/510087832.db2.gz OKNACVOVPMGNMB-IRXDYDNUSA-N 1 2 353.413 2.602 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000245708516 510099639 /nfs/dbraw/zinc/09/96/39/510099639.db2.gz ORODRRZXSUNGFQ-DOTOQJQBSA-N 1 2 372.431 2.723 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000245708516 510099643 /nfs/dbraw/zinc/09/96/43/510099643.db2.gz ORODRRZXSUNGFQ-DOTOQJQBSA-N 1 2 372.431 2.723 20 30 FFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000177641555 510174053 /nfs/dbraw/zinc/17/40/53/510174053.db2.gz NRLRUPNKHDSRJB-MRXNPFEDSA-N 1 2 367.424 2.982 20 30 FFEDLO COc1ccccc1S(=O)(=O)CCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000184177637 510176381 /nfs/dbraw/zinc/17/63/81/510176381.db2.gz DOIXJPLJANSFIY-UHFFFAOYSA-N 1 2 358.463 2.863 20 30 FFEDLO COc1ccccc1S(=O)(=O)CCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000184177637 510176383 /nfs/dbraw/zinc/17/63/83/510176383.db2.gz DOIXJPLJANSFIY-UHFFFAOYSA-N 1 2 358.463 2.863 20 30 FFEDLO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)c(F)c1O ZINC000190608827 510237812 /nfs/dbraw/zinc/23/78/12/510237812.db2.gz LYCIPOCMQCMWBC-SJCJKPOMSA-N 1 2 371.387 2.994 20 30 FFEDLO N#CCOc1ccc(CNC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000171684275 510306517 /nfs/dbraw/zinc/30/65/17/510306517.db2.gz FREKEQPPLJNSEG-UHFFFAOYSA-N 1 2 353.426 2.675 20 30 FFEDLO CC[C@@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000187619276 510357774 /nfs/dbraw/zinc/35/77/74/510357774.db2.gz QMSPFJKUIZSNDD-ORAYPTAESA-N 1 2 361.511 2.920 20 30 FFEDLO CC[C@@]1(CO)CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000187619276 510357782 /nfs/dbraw/zinc/35/77/82/510357782.db2.gz QMSPFJKUIZSNDD-ORAYPTAESA-N 1 2 361.511 2.920 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246285048 510406456 /nfs/dbraw/zinc/40/64/56/510406456.db2.gz BCNZYWOZZFUTIW-PXNSSMCTSA-N 1 2 355.482 2.965 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246285048 510406464 /nfs/dbraw/zinc/40/64/64/510406464.db2.gz BCNZYWOZZFUTIW-PXNSSMCTSA-N 1 2 355.482 2.965 20 30 FFEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c(F)c1 ZINC000178086705 510425244 /nfs/dbraw/zinc/42/52/44/510425244.db2.gz UFZLDUXYJZDWDC-UHFFFAOYSA-N 1 2 370.403 2.864 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000246355414 510443305 /nfs/dbraw/zinc/44/33/05/510443305.db2.gz MNXWHAUQUCJYFS-DOMZBBRYSA-N 1 2 362.417 2.650 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000246355414 510443308 /nfs/dbraw/zinc/44/33/08/510443308.db2.gz MNXWHAUQUCJYFS-DOMZBBRYSA-N 1 2 362.417 2.650 20 30 FFEDLO CN(C)c1[nH+]cccc1NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000191090259 510500538 /nfs/dbraw/zinc/50/05/38/510500538.db2.gz ZZQHSAWPJNNART-UHFFFAOYSA-N 1 2 351.410 2.767 20 30 FFEDLO N#CCC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000184865768 510553627 /nfs/dbraw/zinc/55/36/27/510553627.db2.gz OKESMHFUTSPNJU-UHFFFAOYSA-N 1 2 363.461 2.850 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)C[C@H]2COc3ccccc3O2)c(C#N)c1C ZINC000246622218 510587885 /nfs/dbraw/zinc/58/78/85/510587885.db2.gz TUCVOXAGFQRSNV-HIFRSBDPSA-N 1 2 369.421 2.867 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H]2COc3ccccc3O2)c(C#N)c1C ZINC000246622218 510587892 /nfs/dbraw/zinc/58/78/92/510587892.db2.gz TUCVOXAGFQRSNV-HIFRSBDPSA-N 1 2 369.421 2.867 20 30 FFEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188246938 510667105 /nfs/dbraw/zinc/66/71/05/510667105.db2.gz FRDXMPNJBFQLPI-AWEZNQCLSA-N 1 2 353.397 2.922 20 30 FFEDLO COc1ccc2c(c1)C[N@H+]([C@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000178728658 510741810 /nfs/dbraw/zinc/74/18/10/510741810.db2.gz AZERHYHINLNADQ-KRWDZBQOSA-N 1 2 353.447 2.792 20 30 FFEDLO COc1ccc2c(c1)C[N@@H+]([C@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000178728658 510741818 /nfs/dbraw/zinc/74/18/18/510741818.db2.gz AZERHYHINLNADQ-KRWDZBQOSA-N 1 2 353.447 2.792 20 30 FFEDLO Cc1cccc(C)c1C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000172522304 510767729 /nfs/dbraw/zinc/76/77/29/510767729.db2.gz IXIKWQNIBJZPOE-UHFFFAOYSA-N 1 2 369.490 2.682 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)c(C#N)c1C ZINC000178807777 510784153 /nfs/dbraw/zinc/78/41/53/510784153.db2.gz FIEPXFIFQWRMMX-RUZDIDTESA-N 1 2 359.451 2.576 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c(C#N)c1C ZINC000178807777 510784158 /nfs/dbraw/zinc/78/41/58/510784158.db2.gz FIEPXFIFQWRMMX-RUZDIDTESA-N 1 2 359.451 2.576 20 30 FFEDLO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1nnc2ccccn21 ZINC000172610079 510819014 /nfs/dbraw/zinc/81/90/14/510819014.db2.gz DKERDEZOTRXNGL-NSHDSACASA-N 1 2 354.801 2.544 20 30 FFEDLO C=CCN(Cc1ccccc1F)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000172635712 510831471 /nfs/dbraw/zinc/83/14/71/510831471.db2.gz PKXBBRBQUNOMDQ-UHFFFAOYSA-N 1 2 368.456 2.558 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000172673927 510841978 /nfs/dbraw/zinc/84/19/78/510841978.db2.gz AGNPZZKOKKSULA-UHFFFAOYSA-N 1 2 370.409 2.670 20 30 FFEDLO Cc1cnn([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)c1 ZINC000247558893 510865592 /nfs/dbraw/zinc/86/55/92/510865592.db2.gz FTWHWPMVTISKKF-GDBMZVCRSA-N 1 2 355.442 2.937 20 30 FFEDLO Cc1cnn([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)c1 ZINC000247558893 510865593 /nfs/dbraw/zinc/86/55/93/510865593.db2.gz FTWHWPMVTISKKF-GDBMZVCRSA-N 1 2 355.442 2.937 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCNC(=O)C1 ZINC000329934516 510881672 /nfs/dbraw/zinc/88/16/72/510881672.db2.gz JVTRYNOCGSQIKR-RDBSUJKOSA-N 1 2 352.410 2.527 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCNC(=O)C1 ZINC000329934516 510881673 /nfs/dbraw/zinc/88/16/73/510881673.db2.gz JVTRYNOCGSQIKR-RDBSUJKOSA-N 1 2 352.410 2.527 20 30 FFEDLO O=C(CCNC(=O)[C@H]1CC12CCCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000329955808 510885458 /nfs/dbraw/zinc/88/54/58/510885458.db2.gz KYBGRXXCOVXFOV-MRXNPFEDSA-N 1 2 356.470 2.657 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc1OC ZINC000294005040 510926276 /nfs/dbraw/zinc/92/62/76/510926276.db2.gz SYSKTFABBMEQBE-MRXNPFEDSA-N 1 2 353.484 2.517 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc1OC ZINC000294005040 510926283 /nfs/dbraw/zinc/92/62/83/510926283.db2.gz SYSKTFABBMEQBE-MRXNPFEDSA-N 1 2 353.484 2.517 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000330156279 510927223 /nfs/dbraw/zinc/92/72/23/510927223.db2.gz YSCJEIOUOMEHCE-KSSFIOAISA-N 1 2 357.454 2.901 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000330156279 510927227 /nfs/dbraw/zinc/92/72/27/510927227.db2.gz YSCJEIOUOMEHCE-KSSFIOAISA-N 1 2 357.454 2.901 20 30 FFEDLO CC(=O)N1CC[C@@H](C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000330173905 510929554 /nfs/dbraw/zinc/92/95/54/510929554.db2.gz HUWJELPGQWEMFK-RVKKMQEKSA-N 1 2 359.470 2.752 20 30 FFEDLO CC(=O)N1CC[C@@H](C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000330173905 510929559 /nfs/dbraw/zinc/92/95/59/510929559.db2.gz HUWJELPGQWEMFK-RVKKMQEKSA-N 1 2 359.470 2.752 20 30 FFEDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)N1CC2(C1)CCOCC2 ZINC000330178598 510930714 /nfs/dbraw/zinc/93/07/14/510930714.db2.gz LTLXTRBYEUWSGW-UHFFFAOYSA-N 1 2 358.486 2.988 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)C1=O ZINC000285505770 510934077 /nfs/dbraw/zinc/93/40/77/510934077.db2.gz JMELZRJDVLGNFI-DOMZBBRYSA-N 1 2 373.400 2.504 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)C1=O ZINC000285505770 510934081 /nfs/dbraw/zinc/93/40/81/510934081.db2.gz JMELZRJDVLGNFI-DOMZBBRYSA-N 1 2 373.400 2.504 20 30 FFEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000330234603 510944507 /nfs/dbraw/zinc/94/45/07/510944507.db2.gz YLIYKIOPSGVGPP-APWZRJJASA-N 1 2 372.494 2.931 20 30 FFEDLO C[C@@H]1CN(Cc2csc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)n2)C[C@H](C)O1 ZINC000330273236 510953279 /nfs/dbraw/zinc/95/32/79/510953279.db2.gz YWTXGRKPTZSVKS-ZENOOKHLSA-N 1 2 364.515 2.967 20 30 FFEDLO C[C@@H]1CN(Cc2csc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)n2)C[C@H](C)O1 ZINC000330273236 510953282 /nfs/dbraw/zinc/95/32/82/510953282.db2.gz YWTXGRKPTZSVKS-ZENOOKHLSA-N 1 2 364.515 2.967 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)NCc3cccs3)CC2)c(F)c1 ZINC000285556499 510953824 /nfs/dbraw/zinc/95/38/24/510953824.db2.gz RZEDPHNTKUMSKZ-UHFFFAOYSA-N 1 2 373.453 2.918 20 30 FFEDLO CCc1nc(C)c(NC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)s1 ZINC000330328785 510964440 /nfs/dbraw/zinc/96/44/40/510964440.db2.gz LYCPFCUYGGWXJT-LBPRGKRZSA-N 1 2 365.503 2.684 20 30 FFEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@@H]3CC(C)(C)c4ccccc43)CC2)cn1 ZINC000330357978 510972573 /nfs/dbraw/zinc/97/25/73/510972573.db2.gz UFIVJOSXTSVBBJ-LJQANCHMSA-N 1 2 367.497 2.874 20 30 FFEDLO COc1ccc(NC(=O)NC[C@H](C)[NH+]2CCOCC2)c(Br)c1 ZINC000330465333 510984736 /nfs/dbraw/zinc/98/47/36/510984736.db2.gz GEFZUJKBBIGPNX-NSHDSACASA-N 1 2 372.263 2.504 20 30 FFEDLO C=CC[C@H](C)NC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000361216244 511014134 /nfs/dbraw/zinc/01/41/34/511014134.db2.gz HQQANGHULOIVAK-AWEZNQCLSA-N 1 2 350.422 2.621 20 30 FFEDLO C#CC[N@@H+](CC(=O)Nc1cc(OC)c(OC)c(OC)c1)Cc1ccccc1 ZINC000285862451 511014989 /nfs/dbraw/zinc/01/49/89/511014989.db2.gz XSBRVPUSKAPUCI-UHFFFAOYSA-N 1 2 368.433 2.786 20 30 FFEDLO C#CC[N@H+](CC(=O)Nc1cc(OC)c(OC)c(OC)c1)Cc1ccccc1 ZINC000285862451 511014998 /nfs/dbraw/zinc/01/49/98/511014998.db2.gz XSBRVPUSKAPUCI-UHFFFAOYSA-N 1 2 368.433 2.786 20 30 FFEDLO C=C(CNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1)c1ccccc1 ZINC000287174105 511043024 /nfs/dbraw/zinc/04/30/24/511043024.db2.gz RQGUXIBGGBQBJV-QGZVFWFLSA-N 1 2 366.465 2.819 20 30 FFEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000287231558 511044825 /nfs/dbraw/zinc/04/48/25/511044825.db2.gz GAMDVSDJDHBCTH-NRFANRHFSA-N 1 2 362.477 2.543 20 30 FFEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000297719019 511045824 /nfs/dbraw/zinc/04/58/24/511045824.db2.gz BIIYVHUEWYMYNR-OAHLLOKOSA-N 1 2 362.445 2.614 20 30 FFEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000297719019 511045828 /nfs/dbraw/zinc/04/58/28/511045828.db2.gz BIIYVHUEWYMYNR-OAHLLOKOSA-N 1 2 362.445 2.614 20 30 FFEDLO C#C[C@@H](NC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)C(C)(C)C ZINC000288404934 511074276 /nfs/dbraw/zinc/07/42/76/511074276.db2.gz MLUVFXONBHSFFW-QGZVFWFLSA-N 1 2 351.406 2.977 20 30 FFEDLO N#Cc1cnc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000294928409 511224248 /nfs/dbraw/zinc/22/42/48/511224248.db2.gz IWDRDJAFZIURJD-UHFFFAOYSA-N 1 2 374.404 2.863 20 30 FFEDLO CC[C@H](CSC)[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000271585458 511254720 /nfs/dbraw/zinc/25/47/20/511254720.db2.gz QQBMMIZDNGYPJG-OCCSQVGLSA-N 1 2 358.467 2.585 20 30 FFEDLO CC[C@H](CSC)[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000271585458 511254725 /nfs/dbraw/zinc/25/47/25/511254725.db2.gz QQBMMIZDNGYPJG-OCCSQVGLSA-N 1 2 358.467 2.585 20 30 FFEDLO Cc1nc2cccc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2[nH]1 ZINC000283178097 511266409 /nfs/dbraw/zinc/26/64/09/511266409.db2.gz DSEOKXGHHAIWMP-UHFFFAOYSA-N 1 2 359.433 2.701 20 30 FFEDLO C#CC[C@@H]([NH2+]Cc1csc(N(CCOC)C(C)=O)n1)c1ccccc1 ZINC000271648326 511275400 /nfs/dbraw/zinc/27/54/00/511275400.db2.gz AQUYCRWCPZMFCS-GOSISDBHSA-N 1 2 357.479 2.997 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3c(C4CC4)nc4sccn34)CC2)c1 ZINC000271817815 511337081 /nfs/dbraw/zinc/33/70/81/511337081.db2.gz OOSRRNUCGRRIKC-UHFFFAOYSA-N 1 2 364.478 2.862 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)cc1C ZINC000280397602 511451740 /nfs/dbraw/zinc/45/17/40/511451740.db2.gz AFPHJLKXFFUSFL-INIZCTEOSA-N 1 2 358.467 2.999 20 30 FFEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000272212727 511467309 /nfs/dbraw/zinc/46/73/09/511467309.db2.gz AMXWNHPWISDGPS-UHFFFAOYSA-N 1 2 367.449 2.841 20 30 FFEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000272212727 511467311 /nfs/dbraw/zinc/46/73/11/511467311.db2.gz AMXWNHPWISDGPS-UHFFFAOYSA-N 1 2 367.449 2.841 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(F)c2ccccc12 ZINC000280483585 511483032 /nfs/dbraw/zinc/48/30/32/511483032.db2.gz HPAGCSMFCWIHEM-UHFFFAOYSA-N 1 2 355.413 2.667 20 30 FFEDLO CN(C)C(=O)c1cccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000299011996 511484863 /nfs/dbraw/zinc/48/48/63/511484863.db2.gz DHCDPDWVDZOBRH-UHFFFAOYSA-N 1 2 366.440 2.721 20 30 FFEDLO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272585504 511500081 /nfs/dbraw/zinc/50/00/81/511500081.db2.gz OSKIANTXDIZGAK-UHFFFAOYSA-N 1 2 370.497 2.798 20 30 FFEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(C#N)cc1Br)CCO2 ZINC000280534162 511501736 /nfs/dbraw/zinc/50/17/36/511501736.db2.gz SOUUWGWTQIQCFJ-BLLLJJGKSA-N 1 2 351.244 2.701 20 30 FFEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C#N)cc1Br)CCO2 ZINC000280534162 511501740 /nfs/dbraw/zinc/50/17/40/511501740.db2.gz SOUUWGWTQIQCFJ-BLLLJJGKSA-N 1 2 351.244 2.701 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nc(-c4ccsc4)no3)C2)nc1 ZINC000292212546 511507860 /nfs/dbraw/zinc/50/78/60/511507860.db2.gz OMGCBGLMQWCIDY-AWEZNQCLSA-N 1 2 353.407 2.718 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nc(-c4ccsc4)no3)C2)nc1 ZINC000292212546 511507863 /nfs/dbraw/zinc/50/78/63/511507863.db2.gz OMGCBGLMQWCIDY-AWEZNQCLSA-N 1 2 353.407 2.718 20 30 FFEDLO CC(C)[C@@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1[nH]cc[nH+]1 ZINC000295905863 511551172 /nfs/dbraw/zinc/55/11/72/511551172.db2.gz HFBDYNPGYXXBCM-CYBMUJFWSA-N 1 2 372.372 2.976 20 30 FFEDLO CC(C)(C#N)c1ccc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1 ZINC000281018763 511691137 /nfs/dbraw/zinc/69/11/37/511691137.db2.gz XJQDTASBGNXNMJ-UHFFFAOYSA-N 1 2 364.449 2.649 20 30 FFEDLO C#CC[N@@H+](CC(=O)NCc1cccc(COCc2ccco2)c1)C1CC1 ZINC000274029316 511698158 /nfs/dbraw/zinc/69/81/58/511698158.db2.gz DCRAZVJCHRFKJI-UHFFFAOYSA-N 1 2 352.434 2.710 20 30 FFEDLO C#CC[N@H+](CC(=O)NCc1cccc(COCc2ccco2)c1)C1CC1 ZINC000274029316 511698164 /nfs/dbraw/zinc/69/81/64/511698164.db2.gz DCRAZVJCHRFKJI-UHFFFAOYSA-N 1 2 352.434 2.710 20 30 FFEDLO C#CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C1CC1 ZINC000274117869 511724852 /nfs/dbraw/zinc/72/48/52/511724852.db2.gz GIMDXCVMTDTKKY-UHFFFAOYSA-N 1 2 350.422 2.654 20 30 FFEDLO C#CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C1CC1 ZINC000274117869 511724856 /nfs/dbraw/zinc/72/48/56/511724856.db2.gz GIMDXCVMTDTKKY-UHFFFAOYSA-N 1 2 350.422 2.654 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nc3cc(C(F)(F)F)ccc3n2C)C1=O ZINC000281133498 511731883 /nfs/dbraw/zinc/73/18/83/511731883.db2.gz DDKNUHFLHBIMEA-HNNXBMFYSA-N 1 2 366.387 2.811 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nc3cc(C(F)(F)F)ccc3n2C)C1=O ZINC000281133498 511731888 /nfs/dbraw/zinc/73/18/88/511731888.db2.gz DDKNUHFLHBIMEA-HNNXBMFYSA-N 1 2 366.387 2.811 20 30 FFEDLO COC(=O)N1CCN(c2ccc(NCc3ccc(C#N)s3)c[nH+]2)CC1 ZINC000292894709 511762394 /nfs/dbraw/zinc/76/23/94/511762394.db2.gz DEVTUEJHDBVXQV-UHFFFAOYSA-N 1 2 357.439 2.515 20 30 FFEDLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000365990012 511768336 /nfs/dbraw/zinc/76/83/36/511768336.db2.gz FSLCYRQNNZHXTK-UHFFFAOYSA-N 1 2 371.404 2.690 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1=O ZINC000281235224 511770504 /nfs/dbraw/zinc/77/05/04/511770504.db2.gz FRPFGSFNZNQMDL-CZUORRHYSA-N 1 2 358.417 2.964 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1=O ZINC000281235224 511770506 /nfs/dbraw/zinc/77/05/06/511770506.db2.gz FRPFGSFNZNQMDL-CZUORRHYSA-N 1 2 358.417 2.964 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000310054595 511770926 /nfs/dbraw/zinc/77/09/26/511770926.db2.gz UKFWHWLHOAPSMT-OAHLLOKOSA-N 1 2 361.492 2.563 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000310054595 511770931 /nfs/dbraw/zinc/77/09/31/511770931.db2.gz UKFWHWLHOAPSMT-OAHLLOKOSA-N 1 2 361.492 2.563 20 30 FFEDLO Cc1cn2cc(NC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)ccc2[nH+]1 ZINC000292926459 511775274 /nfs/dbraw/zinc/77/52/74/511775274.db2.gz MDERWQAAMHUIMI-INIZCTEOSA-N 1 2 362.393 2.595 20 30 FFEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCc3cc(F)ccc32)nc[nH+]1 ZINC000328693009 511916058 /nfs/dbraw/zinc/91/60/58/511916058.db2.gz JMDIAQKCSIEGDW-OAHLLOKOSA-N 1 2 370.432 2.603 20 30 FFEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCc3cc(F)ccc32)[nH+]cn1 ZINC000328693009 511916064 /nfs/dbraw/zinc/91/60/64/511916064.db2.gz JMDIAQKCSIEGDW-OAHLLOKOSA-N 1 2 370.432 2.603 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CCN1C(=O)[C@@H]3CCCC[C@@H]3C1=O)CCC2 ZINC000328765458 511927926 /nfs/dbraw/zinc/92/79/26/511927926.db2.gz DZLNJURRORARBE-HRCADAONSA-N 1 2 372.469 2.591 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)c2ccccc2F)CCC(=O)N1C1CC1 ZINC000328994626 511963797 /nfs/dbraw/zinc/96/37/97/511963797.db2.gz DZYHPXNAONLDJR-CRAIPNDOSA-N 1 2 356.401 2.759 20 30 FFEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000329025970 511969921 /nfs/dbraw/zinc/96/99/21/511969921.db2.gz JQUYWVHIEOWMEI-SNVBAGLBSA-N 1 2 366.219 2.613 20 30 FFEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000329025970 511969922 /nfs/dbraw/zinc/96/99/22/511969922.db2.gz JQUYWVHIEOWMEI-SNVBAGLBSA-N 1 2 366.219 2.613 20 30 FFEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329037431 511972360 /nfs/dbraw/zinc/97/23/60/511972360.db2.gz NHJGWILNKKPYKA-GXTWGEPZSA-N 1 2 358.446 2.763 20 30 FFEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329037431 511972369 /nfs/dbraw/zinc/97/23/69/511972369.db2.gz NHJGWILNKKPYKA-GXTWGEPZSA-N 1 2 358.446 2.763 20 30 FFEDLO O=C(CNC(=O)NC1CCCCC1)N1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000329158237 511994310 /nfs/dbraw/zinc/99/43/10/511994310.db2.gz CTYVBNRBMAHWMV-QGZVFWFLSA-N 1 2 373.501 2.788 20 30 FFEDLO Cc1noc([C@@H](NC(=O)C2CC[NH+](CC(F)F)CC2)C2CCOCC2)n1 ZINC000329161587 511995838 /nfs/dbraw/zinc/99/58/38/511995838.db2.gz FJKLKSXZOZLFIY-HNNXBMFYSA-N 1 2 372.416 2.779 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)ccc1OC ZINC000293521550 511996573 /nfs/dbraw/zinc/99/65/73/511996573.db2.gz BAEGICBYGVKHGG-QGZVFWFLSA-N 1 2 367.511 2.907 20 30 FFEDLO C=C(C)COc1cc(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)ccc1OC ZINC000293521550 511996580 /nfs/dbraw/zinc/99/65/80/511996580.db2.gz BAEGICBYGVKHGG-QGZVFWFLSA-N 1 2 367.511 2.907 20 30 FFEDLO C[C@@H]1SCCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)[C@H]1C ZINC000329248717 512013877 /nfs/dbraw/zinc/01/38/77/512013877.db2.gz WTLIMAHQCYWCPW-YDHLFZDLSA-N 1 2 352.504 2.628 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000281950035 512023111 /nfs/dbraw/zinc/02/31/11/512023111.db2.gz XBDSJHDJGBRWAC-INIZCTEOSA-N 1 2 351.406 2.737 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)NC[C@H](O)C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329422818 512043677 /nfs/dbraw/zinc/04/36/77/512043677.db2.gz FEIAFTPHEFPKIY-ZOBUZTSGSA-N 1 2 371.403 2.514 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)NC[C@H](O)C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329422818 512043683 /nfs/dbraw/zinc/04/36/83/512043683.db2.gz FEIAFTPHEFPKIY-ZOBUZTSGSA-N 1 2 371.403 2.514 20 30 FFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000329431364 512046469 /nfs/dbraw/zinc/04/64/69/512046469.db2.gz ILPFMNAFLREAAH-SJORKVTESA-N 1 2 356.426 2.512 20 30 FFEDLO Cc1nc(-c2ccccc2)sc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329502977 512058928 /nfs/dbraw/zinc/05/89/28/512058928.db2.gz IBLVXGOBNZEVFJ-LSDHHAIUSA-N 1 2 358.467 2.679 20 30 FFEDLO Cc1nc(-c2ccccc2)sc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329502977 512058935 /nfs/dbraw/zinc/05/89/35/512058935.db2.gz IBLVXGOBNZEVFJ-LSDHHAIUSA-N 1 2 358.467 2.679 20 30 FFEDLO CC(C)(C)n1cnc(NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)n1 ZINC000329505627 512059598 /nfs/dbraw/zinc/05/95/98/512059598.db2.gz HIWPUPGGSLXQBV-UHFFFAOYSA-N 1 2 371.489 2.757 20 30 FFEDLO N#Cc1cc(Br)ccc1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000366509612 512060631 /nfs/dbraw/zinc/06/06/31/512060631.db2.gz ZTQIPUKVIJIVOW-OAHLLOKOSA-N 1 2 361.243 2.994 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](CCC)CC(=O)Nc2ccc(F)c(F)c2F)C1=O ZINC000282092720 512072491 /nfs/dbraw/zinc/07/24/91/512072491.db2.gz VIDCKACUQYCQFA-CQSZACIVSA-N 1 2 369.387 2.541 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](CCC)CC(=O)Nc2ccc(F)c(F)c2F)C1=O ZINC000282092720 512072495 /nfs/dbraw/zinc/07/24/95/512072495.db2.gz VIDCKACUQYCQFA-CQSZACIVSA-N 1 2 369.387 2.541 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nc3cc(Br)ccc3o2)C1=O ZINC000285321525 512076257 /nfs/dbraw/zinc/07/62/57/512076257.db2.gz NRYKVMFNFCTNME-CYBMUJFWSA-N 1 2 364.243 2.809 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nc3cc(Br)ccc3o2)C1=O ZINC000285321525 512076262 /nfs/dbraw/zinc/07/62/62/512076262.db2.gz NRYKVMFNFCTNME-CYBMUJFWSA-N 1 2 364.243 2.809 20 30 FFEDLO C[C@@H]1C[C@@H](C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)CC(=O)N1 ZINC000329673099 512084703 /nfs/dbraw/zinc/08/47/03/512084703.db2.gz NVRUMPJGWCWBQL-HUUCEWRRSA-N 1 2 372.469 2.807 20 30 FFEDLO C[C@@H]1C[C@@H](C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)CC(=O)N1 ZINC000329673099 512084706 /nfs/dbraw/zinc/08/47/06/512084706.db2.gz NVRUMPJGWCWBQL-HUUCEWRRSA-N 1 2 372.469 2.807 20 30 FFEDLO O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CCCCS1(=O)=O ZINC000329754532 512093698 /nfs/dbraw/zinc/09/36/98/512093698.db2.gz KUPJALJWNCBLEE-HNNXBMFYSA-N 1 2 374.572 2.662 20 30 FFEDLO O=C(NC1CCN(c2nccs2)CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329808663 512100148 /nfs/dbraw/zinc/10/01/48/512100148.db2.gz PKJPZUOVVAGUKI-UHFFFAOYSA-N 1 2 360.487 2.629 20 30 FFEDLO O=C(NC1CCN(c2nccs2)CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329808663 512100150 /nfs/dbraw/zinc/10/01/50/512100150.db2.gz PKJPZUOVVAGUKI-UHFFFAOYSA-N 1 2 360.487 2.629 20 30 FFEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCCC(C)(C)CC3)ccn2)CC1 ZINC000329861622 512104733 /nfs/dbraw/zinc/10/47/33/512104733.db2.gz XZLGLNCCPKBETM-UHFFFAOYSA-N 1 2 373.501 2.527 20 30 FFEDLO CCCNC(=O)C[N@H+](CCC)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000411177113 512505009 /nfs/dbraw/zinc/50/50/09/512505009.db2.gz HAFYTHGYISBXOT-GNZRSQJKSA-N 1 2 364.534 2.544 20 30 FFEDLO CCCNC(=O)C[N@@H+](CCC)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000411177113 512505015 /nfs/dbraw/zinc/50/50/15/512505015.db2.gz HAFYTHGYISBXOT-GNZRSQJKSA-N 1 2 364.534 2.544 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cs1 ZINC000411373563 512604363 /nfs/dbraw/zinc/60/43/63/512604363.db2.gz IPELKSAJCYCCOR-QGZVFWFLSA-N 1 2 355.463 2.917 20 30 FFEDLO COC(=O)C1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)CCCC1 ZINC000411406811 512621528 /nfs/dbraw/zinc/62/15/28/512621528.db2.gz JYDGFVJOXKNRKY-UHFFFAOYSA-N 1 2 361.467 2.512 20 30 FFEDLO CCc1ccc([C@H](COC)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000411510724 512667781 /nfs/dbraw/zinc/66/77/81/512667781.db2.gz HDCPJCCSPVMSDE-GJZGRUSLSA-N 1 2 359.451 2.858 20 30 FFEDLO Cc1cc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c(C)c[nH+]1 ZINC000376120164 512670876 /nfs/dbraw/zinc/67/08/76/512670876.db2.gz VMMSSDUKHMWSKW-UHFFFAOYSA-N 1 2 352.413 2.986 20 30 FFEDLO CC[C@@H](C)[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)OC ZINC000411534087 512678375 /nfs/dbraw/zinc/67/83/75/512678375.db2.gz NPCSGDBBMLDWFV-BDJLRTHQSA-N 1 2 351.834 2.718 20 30 FFEDLO COc1ccc(OC)c2c1C[N@H+](Cc1ccc(C#N)c(OC)c1)C[C@@H]2O ZINC000374218241 512711617 /nfs/dbraw/zinc/71/16/17/512711617.db2.gz RMKYVYNWOFLEAK-INIZCTEOSA-N 1 2 354.406 2.633 20 30 FFEDLO COc1ccc(OC)c2c1C[N@@H+](Cc1ccc(C#N)c(OC)c1)C[C@@H]2O ZINC000374218241 512711622 /nfs/dbraw/zinc/71/16/22/512711622.db2.gz RMKYVYNWOFLEAK-INIZCTEOSA-N 1 2 354.406 2.633 20 30 FFEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374351218 512784511 /nfs/dbraw/zinc/78/45/11/512784511.db2.gz BWARDMRYTDCYPS-SJLPKXTDSA-N 1 2 352.438 2.711 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411986876 512901682 /nfs/dbraw/zinc/90/16/82/512901682.db2.gz PDZFIOCGCPZEAA-IPHXSNPTSA-N 1 2 369.465 2.539 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411986876 512901688 /nfs/dbraw/zinc/90/16/88/512901688.db2.gz PDZFIOCGCPZEAA-IPHXSNPTSA-N 1 2 369.465 2.539 20 30 FFEDLO Cc1cn2c([nH+]1)CN(C(=O)c1ccc(COc3ccccc3C#N)o1)CC2 ZINC000374681025 512952486 /nfs/dbraw/zinc/95/24/86/512952486.db2.gz SSWBTWKODGLZEB-UHFFFAOYSA-N 1 2 362.389 2.891 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000408089897 512996740 /nfs/dbraw/zinc/99/67/40/512996740.db2.gz KNKXSANVDAMQAO-IOASZLSFSA-N 1 2 361.511 2.918 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000408089897 512996745 /nfs/dbraw/zinc/99/67/45/512996745.db2.gz KNKXSANVDAMQAO-IOASZLSFSA-N 1 2 361.511 2.918 20 30 FFEDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)nc1 ZINC000450338854 513149324 /nfs/dbraw/zinc/14/93/24/513149324.db2.gz MVKHNGGPMOUFOO-UHFFFAOYSA-N 1 2 368.412 2.591 20 30 FFEDLO C[C@@H]1CCc2onc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2C1 ZINC000433828810 513160766 /nfs/dbraw/zinc/16/07/66/513160766.db2.gz AWKQBLWHCUHTHV-OAHLLOKOSA-N 1 2 364.449 2.629 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000450530447 513238226 /nfs/dbraw/zinc/23/82/26/513238226.db2.gz YUYKQJLHJWXSAL-GMLZMKKNSA-N 1 2 368.399 2.947 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000450530447 513238230 /nfs/dbraw/zinc/23/82/30/513238230.db2.gz YUYKQJLHJWXSAL-GMLZMKKNSA-N 1 2 368.399 2.947 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CC(=O)NCCC2CCCCC2)CC1 ZINC000440628925 513366384 /nfs/dbraw/zinc/36/63/84/513366384.db2.gz WYEILTWHLPRWCF-NRFANRHFSA-N 1 2 368.525 2.955 20 30 FFEDLO COC(=O)[C@@H]1CN(c2cc(C)[nH+]cc2C#N)C[C@H]1c1ccc(F)cc1F ZINC000425271930 513487369 /nfs/dbraw/zinc/48/73/69/513487369.db2.gz DYHBTVNJJZDDEA-JKSUJKDBSA-N 1 2 357.360 2.933 20 30 FFEDLO CC(C)c1ccc2ncc(C#N)c(N3CC[NH+](C(C)(C)C(N)=O)CC3)c2c1 ZINC000447678454 513540312 /nfs/dbraw/zinc/54/03/12/513540312.db2.gz HPBYKTODASDWKI-UHFFFAOYSA-N 1 2 365.481 2.616 20 30 FFEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1 ZINC000430100396 513553921 /nfs/dbraw/zinc/55/39/21/513553921.db2.gz ZLEGRPYWXCVNRH-UHFFFAOYSA-N 1 2 357.454 2.598 20 30 FFEDLO C=CC[N@H+](CCC#N)Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1 ZINC000430100396 513553928 /nfs/dbraw/zinc/55/39/28/513553928.db2.gz ZLEGRPYWXCVNRH-UHFFFAOYSA-N 1 2 357.454 2.598 20 30 FFEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000430107984 513554802 /nfs/dbraw/zinc/55/48/02/513554802.db2.gz RULPIARNRIZYHY-UHFFFAOYSA-N 1 2 363.889 2.953 20 30 FFEDLO C=CC[N@H+](CCC#N)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000430107984 513554808 /nfs/dbraw/zinc/55/48/08/513554808.db2.gz RULPIARNRIZYHY-UHFFFAOYSA-N 1 2 363.889 2.953 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451253678 513624716 /nfs/dbraw/zinc/62/47/16/513624716.db2.gz APLUMAUFOGDHCV-HGHGUNKESA-N 1 2 373.472 2.518 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451253678 513624726 /nfs/dbraw/zinc/62/47/26/513624726.db2.gz APLUMAUFOGDHCV-HGHGUNKESA-N 1 2 373.472 2.518 20 30 FFEDLO N#CCC1(CNC(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000430359347 513634439 /nfs/dbraw/zinc/63/44/39/513634439.db2.gz ZQIVIGWNJNXKQZ-UHFFFAOYSA-N 1 2 350.378 2.622 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451275440 513644589 /nfs/dbraw/zinc/64/45/89/513644589.db2.gz YKEZYEWDPSEXFQ-JJXUHFIVSA-N 1 2 367.424 2.685 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451275440 513644594 /nfs/dbraw/zinc/64/45/94/513644594.db2.gz YKEZYEWDPSEXFQ-JJXUHFIVSA-N 1 2 367.424 2.685 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451425967 513744006 /nfs/dbraw/zinc/74/40/06/513744006.db2.gz HQYYHBRGXJQFLR-PXAZEXFGSA-N 1 2 369.437 2.721 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451425967 513744009 /nfs/dbraw/zinc/74/40/09/513744009.db2.gz HQYYHBRGXJQFLR-PXAZEXFGSA-N 1 2 369.437 2.721 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000436082674 513755621 /nfs/dbraw/zinc/75/56/21/513755621.db2.gz TWQMUOLIDQNLES-IBGZPJMESA-N 1 2 353.422 2.571 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@@H](O)[C@H]2C)c1C#N ZINC000451454074 513759348 /nfs/dbraw/zinc/75/93/48/513759348.db2.gz JRTWHZLZUXGLAJ-CRAIPNDOSA-N 1 2 358.486 2.875 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H](O)[C@H]2C)c1C#N ZINC000451454074 513759357 /nfs/dbraw/zinc/75/93/57/513759357.db2.gz JRTWHZLZUXGLAJ-CRAIPNDOSA-N 1 2 358.486 2.875 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000436133218 513769991 /nfs/dbraw/zinc/76/99/91/513769991.db2.gz SJOYKTDEMQPJNG-UHFFFAOYSA-N 1 2 359.183 2.800 20 30 FFEDLO CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)[C@@H](C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000416461985 513784527 /nfs/dbraw/zinc/78/45/27/513784527.db2.gz ZQLRXUDFJNEYMD-UVBJJODRSA-N 1 2 373.881 2.834 20 30 FFEDLO CC(C)[N@H+]1CC[C@H](NS(=O)(=O)[C@@H](C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000416461985 513784529 /nfs/dbraw/zinc/78/45/29/513784529.db2.gz ZQLRXUDFJNEYMD-UVBJJODRSA-N 1 2 373.881 2.834 20 30 FFEDLO C[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC(F)(F)F ZINC000413746643 513798372 /nfs/dbraw/zinc/79/83/72/513798372.db2.gz KKCZJXXNSNJZGA-AWEZNQCLSA-N 1 2 368.403 2.974 20 30 FFEDLO CC(C)[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1Cl)c1[nH]cc[nH+]1 ZINC000451543760 513823220 /nfs/dbraw/zinc/82/32/20/513823220.db2.gz COXILVBIMJSRBC-CQSZACIVSA-N 1 2 352.847 2.805 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nnc(C(=O)NCc2ccc(C)cc2)s1 ZINC000451681429 513907532 /nfs/dbraw/zinc/90/75/32/513907532.db2.gz MIWKNLHFSAJTQM-CVEARBPZSA-N 1 2 372.494 2.600 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nccn1-c1cccc(Cl)c1 ZINC000414102145 513976011 /nfs/dbraw/zinc/97/60/11/513976011.db2.gz UXKWMZWSKDCYFT-OAHLLOKOSA-N 1 2 350.875 2.824 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nccn1-c1cccc(Cl)c1 ZINC000414102145 513976016 /nfs/dbraw/zinc/97/60/16/513976016.db2.gz UXKWMZWSKDCYFT-OAHLLOKOSA-N 1 2 350.875 2.824 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000443659731 514016323 /nfs/dbraw/zinc/01/63/23/514016323.db2.gz QEVHQBFDBMEFKO-KRWDZBQOSA-N 1 2 369.852 2.981 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000443659731 514016334 /nfs/dbraw/zinc/01/63/34/514016334.db2.gz QEVHQBFDBMEFKO-KRWDZBQOSA-N 1 2 369.852 2.981 20 30 FFEDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437136923 514098198 /nfs/dbraw/zinc/09/81/98/514098198.db2.gz LDOCQCWRTLWQOI-OAHLLOKOSA-N 1 2 351.397 2.992 20 30 FFEDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437136923 514098203 /nfs/dbraw/zinc/09/82/03/514098203.db2.gz LDOCQCWRTLWQOI-OAHLLOKOSA-N 1 2 351.397 2.992 20 30 FFEDLO COc1cc[nH+]cc1CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000432244589 514136290 /nfs/dbraw/zinc/13/62/90/514136290.db2.gz FDCZUHIFPDPXKY-UHFFFAOYSA-N 1 2 363.339 2.960 20 30 FFEDLO Cc1cc(S(=O)(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccccc2)ccc1C#N ZINC000432287732 514149402 /nfs/dbraw/zinc/14/94/02/514149402.db2.gz XGAKACJFESYBTO-GOSISDBHSA-N 1 2 366.446 3.000 20 30 FFEDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[NH2+]Cc3ccc(F)cc32)ccc1C#N ZINC000420458284 514155313 /nfs/dbraw/zinc/15/53/13/514155313.db2.gz KCSXHZSJPQLMJE-CYBMUJFWSA-N 1 2 359.426 2.693 20 30 FFEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000444233039 514161814 /nfs/dbraw/zinc/16/18/14/514161814.db2.gz SSBQGBBELWNNIH-UHFFFAOYSA-N 1 2 360.502 2.576 20 30 FFEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000444233039 514161823 /nfs/dbraw/zinc/16/18/23/514161823.db2.gz SSBQGBBELWNNIH-UHFFFAOYSA-N 1 2 360.502 2.576 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000437493886 514170952 /nfs/dbraw/zinc/17/09/52/514170952.db2.gz GEKIVYBHXQCSES-QUCCMNQESA-N 1 2 366.465 2.530 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCC(C(=O)OCC)([S@@](C)=O)CC2)cc1 ZINC000449408408 514199137 /nfs/dbraw/zinc/19/91/37/514199137.db2.gz JUNGOFIUGWOAJS-RUZDIDTESA-N 1 2 365.495 2.528 20 30 FFEDLO CN(Cc1ccccc1Br)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433299271 514449394 /nfs/dbraw/zinc/44/93/94/514449394.db2.gz BHQPEANZMXKSAR-UHFFFAOYSA-N 1 2 352.276 2.889 20 30 FFEDLO CN(Cc1ccccc1Br)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433299271 514449400 /nfs/dbraw/zinc/44/94/00/514449400.db2.gz BHQPEANZMXKSAR-UHFFFAOYSA-N 1 2 352.276 2.889 20 30 FFEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439447730 514554356 /nfs/dbraw/zinc/55/43/56/514554356.db2.gz GEOMIQHNPGYRSU-HNNXBMFYSA-N 1 2 374.916 2.777 20 30 FFEDLO C[C@H]1CN(c2ccc(CNc3cccc(C#N)c3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000450254846 514567557 /nfs/dbraw/zinc/56/75/57/514567557.db2.gz KPGUWFCEMFJRBV-ZDUSSCGKSA-N 1 2 353.382 2.699 20 30 FFEDLO C=CCCC(=O)NC1CC[NH+]([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000452949911 514570185 /nfs/dbraw/zinc/57/01/85/514570185.db2.gz BGFITKTUURJNMP-HNNXBMFYSA-N 1 2 364.511 2.698 20 30 FFEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000475335345 514624862 /nfs/dbraw/zinc/62/48/62/514624862.db2.gz QYMLUFAWGINQFL-KRWDZBQOSA-N 1 2 374.897 2.883 20 30 FFEDLO C[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000461720606 514706480 /nfs/dbraw/zinc/70/64/80/514706480.db2.gz CDVAQKNSYVHTNL-QAPCUYQASA-N 1 2 369.490 2.913 20 30 FFEDLO CSc1ccccc1C[N@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000471010327 514715929 /nfs/dbraw/zinc/71/59/29/514715929.db2.gz VIDFFFYBVYBXGL-SFHVURJKSA-N 1 2 374.554 2.533 20 30 FFEDLO CSc1ccccc1C[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000471010327 514715939 /nfs/dbraw/zinc/71/59/39/514715939.db2.gz VIDFFFYBVYBXGL-SFHVURJKSA-N 1 2 374.554 2.533 20 30 FFEDLO CC[C@H](C)n1nc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000479838464 514741777 /nfs/dbraw/zinc/74/17/77/514741777.db2.gz BWVVDRXEFUIFKZ-INIZCTEOSA-N 1 2 365.481 2.992 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455807603 514750162 /nfs/dbraw/zinc/75/01/62/514750162.db2.gz YVDNMRZISPYGCW-AWEZNQCLSA-N 1 2 360.458 2.578 20 30 FFEDLO COC(=O)c1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000466820008 514790323 /nfs/dbraw/zinc/79/03/23/514790323.db2.gz VPLUXAOODSPAQB-UHFFFAOYSA-N 1 2 355.463 2.724 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000466820008 514790331 /nfs/dbraw/zinc/79/03/31/514790331.db2.gz VPLUXAOODSPAQB-UHFFFAOYSA-N 1 2 355.463 2.724 20 30 FFEDLO N#C[C@H]1CCC[C@@H]1NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000461956992 514805998 /nfs/dbraw/zinc/80/59/98/514805998.db2.gz JFRUAYNJZRWXDK-MFKMUULPSA-N 1 2 362.231 2.588 20 30 FFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1CC ZINC000489486132 514865988 /nfs/dbraw/zinc/86/59/88/514865988.db2.gz VZJBWOUVGHWQBW-CQSZACIVSA-N 1 2 359.474 2.659 20 30 FFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1CC ZINC000489486132 514865992 /nfs/dbraw/zinc/86/59/92/514865992.db2.gz VZJBWOUVGHWQBW-CQSZACIVSA-N 1 2 359.474 2.659 20 30 FFEDLO Cc1cc(C#N)cc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000456004444 514897833 /nfs/dbraw/zinc/89/78/33/514897833.db2.gz OUQSFNWKWSTFIJ-FQEVSTJZSA-N 1 2 364.449 2.889 20 30 FFEDLO Cc1cc(C#N)cc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000456004444 514897846 /nfs/dbraw/zinc/89/78/46/514897846.db2.gz OUQSFNWKWSTFIJ-FQEVSTJZSA-N 1 2 364.449 2.889 20 30 FFEDLO C=CC[C@H]1N(C(=O)C(=O)NCc2[nH+]ccn2CC(C)C)CCCC1(C)C ZINC000508811919 514899503 /nfs/dbraw/zinc/89/95/03/514899503.db2.gz PFPVUTXGEMVIQU-MRXNPFEDSA-N 1 2 360.502 2.749 20 30 FFEDLO C=CCn1c([C@H](C)CC)nnc1N1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000508818497 514903729 /nfs/dbraw/zinc/90/37/29/514903729.db2.gz SVMMZVIJIHMZJQ-CQSZACIVSA-N 1 2 358.490 2.905 20 30 FFEDLO CN(C)[C@@H](C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)c1c[nH+]cn1C ZINC000456098549 514948240 /nfs/dbraw/zinc/94/82/40/514948240.db2.gz AKKXSANVPYTHAM-QGZVFWFLSA-N 1 2 355.442 2.710 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3nc4c(s3)C[C@@H](C)CC4)CC2)c1C#N ZINC000471823454 515022357 /nfs/dbraw/zinc/02/23/57/515022357.db2.gz FAJKTGRUOJZKHZ-ZDUSSCGKSA-N 1 2 370.526 2.504 20 30 FFEDLO Cc1ccc(OCCCC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1C ZINC000471979477 515073693 /nfs/dbraw/zinc/07/36/93/515073693.db2.gz NXDKMHPEABYCII-UHFFFAOYSA-N 1 2 373.497 2.537 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000456352248 515122372 /nfs/dbraw/zinc/12/23/72/515122372.db2.gz LKLREVSPYLNUAG-WBVHZDCISA-N 1 2 366.469 2.572 20 30 FFEDLO C=CCC1(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CCCCC1 ZINC000456363845 515131447 /nfs/dbraw/zinc/13/14/47/515131447.db2.gz JBWGQUGDDADFJU-QGZVFWFLSA-N 1 2 360.502 2.878 20 30 FFEDLO C=CCC1(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CCCCC1 ZINC000456363845 515131456 /nfs/dbraw/zinc/13/14/56/515131456.db2.gz JBWGQUGDDADFJU-QGZVFWFLSA-N 1 2 360.502 2.878 20 30 FFEDLO N#Cc1ccc(NC(=O)C(=O)NCCCCNc2cccc[nH+]2)c(Cl)c1 ZINC000490460254 515221127 /nfs/dbraw/zinc/22/11/27/515221127.db2.gz KUDBYHJHRSNRIS-UHFFFAOYSA-N 1 2 371.828 2.554 20 30 FFEDLO COCCOC1C[NH+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000499213619 515240654 /nfs/dbraw/zinc/24/06/54/515240654.db2.gz ABRHUUFPVCEDQB-UHFFFAOYSA-N 1 2 352.434 2.984 20 30 FFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC000463041337 515343021 /nfs/dbraw/zinc/34/30/21/515343021.db2.gz YGDLLWINHUNDSA-OAHLLOKOSA-N 1 2 355.463 2.904 20 30 FFEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)c1 ZINC000481615051 515404915 /nfs/dbraw/zinc/40/49/15/515404915.db2.gz XPNULZSFFRZTGK-UHFFFAOYSA-N 1 2 367.424 2.705 20 30 FFEDLO CCOc1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)ccc1O ZINC000459288742 515449634 /nfs/dbraw/zinc/44/96/34/515449634.db2.gz JQTMCNBUZFGFMM-UHFFFAOYSA-N 1 2 351.450 2.980 20 30 FFEDLO CCCCN(C)C(=O)C1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459290756 515450021 /nfs/dbraw/zinc/45/00/21/515450021.db2.gz BVLPWKSROCVMGH-UHFFFAOYSA-N 1 2 358.442 2.937 20 30 FFEDLO CCOc1cc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)ccc1O ZINC000459345194 515489445 /nfs/dbraw/zinc/48/94/45/515489445.db2.gz AMDQZCFFUITGTC-YCRPNKLZSA-N 1 2 363.417 2.636 20 30 FFEDLO CCOc1cc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)ccc1O ZINC000459345194 515489453 /nfs/dbraw/zinc/48/94/53/515489453.db2.gz AMDQZCFFUITGTC-YCRPNKLZSA-N 1 2 363.417 2.636 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000459366825 515502710 /nfs/dbraw/zinc/50/27/10/515502710.db2.gz DIFHBZUYLWBTTF-CQSZACIVSA-N 1 2 352.398 2.842 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000459366825 515502719 /nfs/dbraw/zinc/50/27/19/515502719.db2.gz DIFHBZUYLWBTTF-CQSZACIVSA-N 1 2 352.398 2.842 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2c3ccccc3sc2C(=O)OC)C1=O ZINC000499986555 515547881 /nfs/dbraw/zinc/54/78/81/515547881.db2.gz CQXLCJKJWYCNHV-HNNXBMFYSA-N 1 2 358.463 2.907 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2c3ccccc3sc2C(=O)OC)C1=O ZINC000499986555 515547890 /nfs/dbraw/zinc/54/78/90/515547890.db2.gz CQXLCJKJWYCNHV-HNNXBMFYSA-N 1 2 358.463 2.907 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1=O ZINC000500024194 515562656 /nfs/dbraw/zinc/56/26/56/515562656.db2.gz KTZREZUGXKXUHM-WFASDCNBSA-N 1 2 369.387 2.751 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1=O ZINC000500024194 515562664 /nfs/dbraw/zinc/56/26/64/515562664.db2.gz KTZREZUGXKXUHM-WFASDCNBSA-N 1 2 369.387 2.751 20 30 FFEDLO C[C@@H](C(=O)N(CC[NH+]1CCOCC1)Cc1ccco1)c1cccc(C#N)c1 ZINC000457000505 515576086 /nfs/dbraw/zinc/57/60/86/515576086.db2.gz UUDAQUYWMIKOPO-QGZVFWFLSA-N 1 2 367.449 2.616 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)cc1 ZINC000505613560 515610422 /nfs/dbraw/zinc/61/04/22/515610422.db2.gz VKNZRLRBUUEAGC-UHFFFAOYSA-N 1 2 354.385 2.923 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000469104632 515673125 /nfs/dbraw/zinc/67/31/25/515673125.db2.gz ZMTSOFSQFPEQCQ-UHFFFAOYSA-N 1 2 356.514 2.799 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000510972783 515732540 /nfs/dbraw/zinc/73/25/40/515732540.db2.gz ZQFIOFXQCPDTAD-HNNXBMFYSA-N 1 2 358.417 2.658 20 30 FFEDLO Cc1cc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1-n1cncn1 ZINC000506113008 515784400 /nfs/dbraw/zinc/78/44/00/515784400.db2.gz PHMOCVDXKVERQI-UHFFFAOYSA-N 1 2 372.476 2.765 20 30 FFEDLO COCC[N@H+](CCc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478413039 515813831 /nfs/dbraw/zinc/81/38/31/515813831.db2.gz BBFMBJHEKLFHFX-UHFFFAOYSA-N 1 2 372.490 2.523 20 30 FFEDLO COCC[N@@H+](CCc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478413039 515813836 /nfs/dbraw/zinc/81/38/36/515813836.db2.gz BBFMBJHEKLFHFX-UHFFFAOYSA-N 1 2 372.490 2.523 20 30 FFEDLO CCOC(=O)c1coc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000474160200 515910895 /nfs/dbraw/zinc/91/08/95/515910895.db2.gz PNPNHCSETWYIQS-UHFFFAOYSA-N 1 2 357.385 2.789 20 30 FFEDLO CC#CCCCC(=O)N1CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000464655719 515912112 /nfs/dbraw/zinc/91/21/12/515912112.db2.gz QOWPPEZEMHDCHX-UHFFFAOYSA-N 1 2 374.481 2.550 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)n1 ZINC000494662892 515915223 /nfs/dbraw/zinc/91/52/23/515915223.db2.gz UAFQLXWZFPKLDZ-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccncc2OCc2ccccc2)C(N)=O)cc1 ZINC000506648164 515944042 /nfs/dbraw/zinc/94/40/42/515944042.db2.gz KAZBCCDMFNFKCA-OAQYLSRUSA-N 1 2 372.428 2.848 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000487773487 515971508 /nfs/dbraw/zinc/97/15/08/515971508.db2.gz YQCKKLIRASOPKY-SFHVURJKSA-N 1 2 357.498 2.500 20 30 FFEDLO C=CCC[C@H](C(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1)c1ccccc1 ZINC000494899685 516002839 /nfs/dbraw/zinc/00/28/39/516002839.db2.gz DAVVDYTYAGNCIR-FQEVSTJZSA-N 1 2 371.525 2.749 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000501189988 516011650 /nfs/dbraw/zinc/01/16/50/516011650.db2.gz YFIKFWSGIJMKDI-SJORKVTESA-N 1 2 369.490 2.842 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000501189988 516011659 /nfs/dbraw/zinc/01/16/59/516011659.db2.gz YFIKFWSGIJMKDI-SJORKVTESA-N 1 2 369.490 2.842 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000507182830 516114059 /nfs/dbraw/zinc/11/40/59/516114059.db2.gz VTMBLIBXDJLJER-UHFFFAOYSA-N 1 2 353.397 2.806 20 30 FFEDLO Cc1csc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000455326471 516123432 /nfs/dbraw/zinc/12/34/32/516123432.db2.gz NPLKYXWMVVLTIJ-UHFFFAOYSA-N 1 2 354.479 2.956 20 30 FFEDLO Cc1[nH]c2ccc(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)cc2[nH+]1 ZINC000460461665 516158335 /nfs/dbraw/zinc/15/83/35/516158335.db2.gz SZROYDDTZHUJIU-FQEVSTJZSA-N 1 2 359.389 2.710 20 30 FFEDLO Cc1[nH]c2cc(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)ccc2[nH+]1 ZINC000460461665 516158343 /nfs/dbraw/zinc/15/83/43/516158343.db2.gz SZROYDDTZHUJIU-FQEVSTJZSA-N 1 2 359.389 2.710 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000512189636 516191119 /nfs/dbraw/zinc/19/11/19/516191119.db2.gz NHHSNFCWYYOSME-QGZVFWFLSA-N 1 2 366.440 2.661 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccccc1C(=O)OC)Cc1ccc(CO)o1 ZINC000512199880 516194362 /nfs/dbraw/zinc/19/43/62/516194362.db2.gz VVKIQKRTNQSVHW-UHFFFAOYSA-N 1 2 372.421 2.575 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)Nc1ccccc1C(=O)OC)Cc1ccc(CO)o1 ZINC000512199880 516194373 /nfs/dbraw/zinc/19/43/73/516194373.db2.gz VVKIQKRTNQSVHW-UHFFFAOYSA-N 1 2 372.421 2.575 20 30 FFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000512505908 516297759 /nfs/dbraw/zinc/29/77/59/516297759.db2.gz DJHDCRZJRBHATC-LJQANCHMSA-N 1 2 370.501 2.771 20 30 FFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000512505908 516297764 /nfs/dbraw/zinc/29/77/64/516297764.db2.gz DJHDCRZJRBHATC-LJQANCHMSA-N 1 2 370.501 2.771 20 30 FFEDLO Cc1cc(C#N)cnc1C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000550571715 516334576 /nfs/dbraw/zinc/33/45/76/516334576.db2.gz OVCFSQAZXBBQBA-HNNXBMFYSA-N 1 2 370.403 2.934 20 30 FFEDLO Cc1cc(C#N)cnc1C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000550571715 516334581 /nfs/dbraw/zinc/33/45/81/516334581.db2.gz OVCFSQAZXBBQBA-HNNXBMFYSA-N 1 2 370.403 2.934 20 30 FFEDLO CC(C)(C#N)CNC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000512792831 516360291 /nfs/dbraw/zinc/36/02/91/516360291.db2.gz OBJFQCGXLPKAJV-UHFFFAOYSA-N 1 2 364.877 2.596 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512805504 516366450 /nfs/dbraw/zinc/36/64/50/516366450.db2.gz HPGALRFDHBIDML-QWRGUYRKSA-N 1 2 369.437 2.997 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](COC(F)F)C1 ZINC000512805504 516366459 /nfs/dbraw/zinc/36/64/59/516366459.db2.gz HPGALRFDHBIDML-QWRGUYRKSA-N 1 2 369.437 2.997 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)C[C@H](c2ccc(F)cc2)O1 ZINC000528387227 516400480 /nfs/dbraw/zinc/40/04/80/516400480.db2.gz FJPZLHPIAIKGMY-MFMILTCTSA-N 1 2 370.424 2.899 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@H](c2ccc(F)cc2)O1 ZINC000528387227 516400493 /nfs/dbraw/zinc/40/04/93/516400493.db2.gz FJPZLHPIAIKGMY-MFMILTCTSA-N 1 2 370.424 2.899 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000512930345 516417814 /nfs/dbraw/zinc/41/78/14/516417814.db2.gz RRGMHEVIYCPGPN-OAHLLOKOSA-N 1 2 352.413 2.540 20 30 FFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC000528423100 516426117 /nfs/dbraw/zinc/42/61/17/516426117.db2.gz GIHVEFHCZDIHCZ-GOEBONIOSA-N 1 2 352.381 2.716 20 30 FFEDLO N#CC1(C[C@H](O)C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC000528423100 516426126 /nfs/dbraw/zinc/42/61/26/516426126.db2.gz GIHVEFHCZDIHCZ-GOEBONIOSA-N 1 2 352.381 2.716 20 30 FFEDLO N#Cc1cc(NC(=O)N2CCn3cc[nH+]c3C2)ccc1OCC(F)(F)F ZINC000523454897 516475304 /nfs/dbraw/zinc/47/53/04/516475304.db2.gz WNTRSDJUIJVNLM-UHFFFAOYSA-N 1 2 365.315 2.744 20 30 FFEDLO CCOCC[NH+]1CCN(C(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000550962430 516498225 /nfs/dbraw/zinc/49/82/25/516498225.db2.gz MIMAMCQHWQGCEU-UHFFFAOYSA-N 1 2 357.479 2.876 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000528522137 516501245 /nfs/dbraw/zinc/50/12/45/516501245.db2.gz WGSFURXMKOEQNF-MOPGFXCFSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000528522137 516501249 /nfs/dbraw/zinc/50/12/49/516501249.db2.gz WGSFURXMKOEQNF-MOPGFXCFSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c(F)c1 ZINC000523570091 516508108 /nfs/dbraw/zinc/50/81/08/516508108.db2.gz MDFHLLHIVDVCOS-UHFFFAOYSA-N 1 2 374.441 2.561 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCCSCc1ccccc1C#N)C1CC1 ZINC000561422301 516573302 /nfs/dbraw/zinc/57/33/02/516573302.db2.gz VCBRSRDMAIBTBG-KRWDZBQOSA-N 1 2 369.494 2.975 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](C)C[C@H]2COc3ccccc3O2)c1C#N ZINC000535978803 516575886 /nfs/dbraw/zinc/57/58/86/516575886.db2.gz PWFGHLDPEYUZOF-HNNXBMFYSA-N 1 2 352.390 2.617 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](C)C[C@H]2COc3ccccc3O2)c1C#N ZINC000535978803 516575895 /nfs/dbraw/zinc/57/58/95/516575895.db2.gz PWFGHLDPEYUZOF-HNNXBMFYSA-N 1 2 352.390 2.617 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1C#N ZINC000535981511 516577917 /nfs/dbraw/zinc/57/79/17/516577917.db2.gz BYRNKGKUUZFQTM-UHFFFAOYSA-N 1 2 363.417 2.608 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1C#N ZINC000535981511 516577928 /nfs/dbraw/zinc/57/79/28/516577928.db2.gz BYRNKGKUUZFQTM-UHFFFAOYSA-N 1 2 363.417 2.608 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)ccn1 ZINC000536033874 516599700 /nfs/dbraw/zinc/59/97/00/516599700.db2.gz ATRCCLVCRDXBDD-UHFFFAOYSA-N 1 2 365.393 2.532 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCc1ccc(Br)s1 ZINC000518383462 516637515 /nfs/dbraw/zinc/63/75/15/516637515.db2.gz LJWJRFLEIHNGET-CQSZACIVSA-N 1 2 358.305 2.793 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000547970918 516666676 /nfs/dbraw/zinc/66/66/76/516666676.db2.gz YZNOJSMRPQRMLU-LRDDRELGSA-N 1 2 359.495 2.672 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000547970918 516666685 /nfs/dbraw/zinc/66/66/85/516666685.db2.gz YZNOJSMRPQRMLU-LRDDRELGSA-N 1 2 359.495 2.672 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000528782196 516692215 /nfs/dbraw/zinc/69/22/15/516692215.db2.gz ICTHKURKUYLKMN-CKNLXJGOSA-N 1 2 353.285 2.806 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000528782196 516692217 /nfs/dbraw/zinc/69/22/17/516692217.db2.gz ICTHKURKUYLKMN-CKNLXJGOSA-N 1 2 353.285 2.806 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528788518 516701223 /nfs/dbraw/zinc/70/12/23/516701223.db2.gz QAHWRPUGWVLMCG-HWVAECNISA-N 1 2 365.886 2.524 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528788518 516701234 /nfs/dbraw/zinc/70/12/34/516701234.db2.gz QAHWRPUGWVLMCG-HWVAECNISA-N 1 2 365.886 2.524 20 30 FFEDLO Cc1noc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)n1 ZINC000544476457 516777027 /nfs/dbraw/zinc/77/70/27/516777027.db2.gz BEXKLKBFQFVHQZ-LSDHHAIUSA-N 1 2 355.442 2.981 20 30 FFEDLO Cc1noc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)n1 ZINC000544476449 516777544 /nfs/dbraw/zinc/77/75/44/516777544.db2.gz BEXKLKBFQFVHQZ-CABCVRRESA-N 1 2 355.442 2.981 20 30 FFEDLO Cc1cccc(NC(=O)C(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1C#N ZINC000551634195 516796115 /nfs/dbraw/zinc/79/61/15/516796115.db2.gz DLQYNFRJGIKSOS-SFHVURJKSA-N 1 2 373.416 2.776 20 30 FFEDLO C=CCOc1ccccc1CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000518968228 516835882 /nfs/dbraw/zinc/83/58/82/516835882.db2.gz KTVBXHMUWQLPAE-UHFFFAOYSA-N 1 2 350.422 2.941 20 30 FFEDLO N#Cc1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)nc2ccccc12 ZINC000514690878 517006335 /nfs/dbraw/zinc/00/63/35/517006335.db2.gz VFYYDCLUZDYWJX-HXUWFJFHSA-N 1 2 372.428 2.946 20 30 FFEDLO N#Cc1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nc2ccccc12 ZINC000514690878 517006343 /nfs/dbraw/zinc/00/63/43/517006343.db2.gz VFYYDCLUZDYWJX-HXUWFJFHSA-N 1 2 372.428 2.946 20 30 FFEDLO COCc1ccc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1C#N ZINC000529217299 517011187 /nfs/dbraw/zinc/01/11/87/517011187.db2.gz LUSSXTSVNQZFEX-UHFFFAOYSA-N 1 2 354.410 2.647 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H](OCC(F)(F)F)C3)C2=O)cc1 ZINC000532588954 517049497 /nfs/dbraw/zinc/04/94/97/517049497.db2.gz VGUHFUILQNZOLV-HOTGVXAUSA-N 1 2 367.371 2.707 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@H](OCC(F)(F)F)C3)C2=O)cc1 ZINC000532588954 517049506 /nfs/dbraw/zinc/04/95/06/517049506.db2.gz VGUHFUILQNZOLV-HOTGVXAUSA-N 1 2 367.371 2.707 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1C#N ZINC000562387629 517072419 /nfs/dbraw/zinc/07/24/19/517072419.db2.gz XDVNVRXJDLBERM-AVYPCKFXSA-N 1 2 358.438 2.503 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1C#N ZINC000562387629 517072426 /nfs/dbraw/zinc/07/24/26/517072426.db2.gz XDVNVRXJDLBERM-AVYPCKFXSA-N 1 2 358.438 2.503 20 30 FFEDLO N#CCc1cc[nH+]c(NCc2ccccc2OCC(=O)NCC2CC2)c1 ZINC000545219669 517113415 /nfs/dbraw/zinc/11/34/15/517113415.db2.gz VRVRACLCIKXNKI-UHFFFAOYSA-N 1 2 350.422 2.665 20 30 FFEDLO COc1cc2c(cc1F)C[N@@H+]([C@H](C)C(=O)NC1(C#N)CCCCC1)CC2 ZINC000537536322 517222926 /nfs/dbraw/zinc/22/29/26/517222926.db2.gz IRJPYILRXJPWHR-CQSZACIVSA-N 1 2 359.445 2.924 20 30 FFEDLO COc1cc2c(cc1F)C[N@H+]([C@H](C)C(=O)NC1(C#N)CCCCC1)CC2 ZINC000537536322 517222931 /nfs/dbraw/zinc/22/29/31/517222931.db2.gz IRJPYILRXJPWHR-CQSZACIVSA-N 1 2 359.445 2.924 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000519867205 517228887 /nfs/dbraw/zinc/22/88/87/517228887.db2.gz GEGLFMQEBIOLCF-PMPSAXMXSA-N 1 2 353.413 2.600 20 30 FFEDLO CCOC(=O)C1([NH2+]CCOc2cccc(C#N)c2)Cc2ccccc2C1 ZINC000533056590 517271608 /nfs/dbraw/zinc/27/16/08/517271608.db2.gz BMQMUGGPGYYNQI-UHFFFAOYSA-N 1 2 350.418 2.627 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)c1C#N ZINC000556152505 517290340 /nfs/dbraw/zinc/29/03/40/517290340.db2.gz YWEKATHCTGWTPB-IAGOWNOFSA-N 1 2 365.481 2.768 20 30 FFEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCC1 ZINC000526287350 517369967 /nfs/dbraw/zinc/36/99/67/517369967.db2.gz YAIWEGMYIPWNOE-NSHDSACASA-N 1 2 372.416 2.904 20 30 FFEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCC1 ZINC000526287350 517369977 /nfs/dbraw/zinc/36/99/77/517369977.db2.gz YAIWEGMYIPWNOE-NSHDSACASA-N 1 2 372.416 2.904 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000562832341 517441415 /nfs/dbraw/zinc/44/14/15/517441415.db2.gz VGSRTTGDGGYKMM-OHQAAIJDSA-N 1 2 359.470 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000562832341 517441419 /nfs/dbraw/zinc/44/14/19/517441419.db2.gz VGSRTTGDGGYKMM-OHQAAIJDSA-N 1 2 359.470 2.761 20 30 FFEDLO Cc1cc(N2CC[NH+]([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)cc(C#N)n1 ZINC000552960674 517454910 /nfs/dbraw/zinc/45/49/10/517454910.db2.gz YYHLHTJZXXJICY-HNNXBMFYSA-N 1 2 367.428 2.550 20 30 FFEDLO CC(C)(C)OC(=O)C1([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CCCC1 ZINC000533515130 517501302 /nfs/dbraw/zinc/50/13/02/517501302.db2.gz UBLLCLJAMPVJFT-INIZCTEOSA-N 1 2 360.454 2.542 20 30 FFEDLO CC(C)N(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000527104097 517504214 /nfs/dbraw/zinc/50/42/14/517504214.db2.gz GYDFPKFCPVCPQW-UHFFFAOYSA-N 1 2 353.426 2.540 20 30 FFEDLO CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1C#N ZINC000533696723 517575060 /nfs/dbraw/zinc/57/50/60/517575060.db2.gz CZYKDXONIVCPFX-CYBMUJFWSA-N 1 2 367.478 2.916 20 30 FFEDLO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)c(C)c1 ZINC000549464268 517576116 /nfs/dbraw/zinc/57/61/16/517576116.db2.gz SCDYHJGPAKZZAU-QYZOEREBSA-N 1 2 355.482 2.907 20 30 FFEDLO C=C(C)[C@H](CC(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)OCC ZINC000533720732 517585007 /nfs/dbraw/zinc/58/50/07/517585007.db2.gz MCPNKQZKCUPJID-KRWDZBQOSA-N 1 2 358.442 2.709 20 30 FFEDLO CC1(C)C[N@@H+]([C@H](CNc2ncncc2C#N)c2ccc(Cl)cc2)CCO1 ZINC000563039084 517607024 /nfs/dbraw/zinc/60/70/24/517607024.db2.gz RURAEQVZGNOLPN-QGZVFWFLSA-N 1 2 371.872 2.688 20 30 FFEDLO CC1(C)C[N@H+]([C@H](CNc2ncncc2C#N)c2ccc(Cl)cc2)CCO1 ZINC000563039084 517607031 /nfs/dbraw/zinc/60/70/31/517607031.db2.gz RURAEQVZGNOLPN-QGZVFWFLSA-N 1 2 371.872 2.688 20 30 FFEDLO Cc1cccn2cc(CC(=O)NCc3nc(-c4cccc(C#N)c4)c[nH]3)[nH+]c12 ZINC000538784484 517778527 /nfs/dbraw/zinc/77/85/27/517778527.db2.gz UIHWORMPOSMQKO-UHFFFAOYSA-N 1 2 370.416 2.763 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2C)c1C#N ZINC000530465908 517792236 /nfs/dbraw/zinc/79/22/36/517792236.db2.gz IGIDIBCBJAGBFZ-CXAGYDPISA-N 1 2 358.486 2.875 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2C)c1C#N ZINC000530465908 517792245 /nfs/dbraw/zinc/79/22/45/517792245.db2.gz IGIDIBCBJAGBFZ-CXAGYDPISA-N 1 2 358.486 2.875 20 30 FFEDLO Cc1cc(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)c[nH+]1 ZINC000534324080 517852256 /nfs/dbraw/zinc/85/22/56/517852256.db2.gz JSOSSNUCEGEJOU-MRXNPFEDSA-N 1 2 367.428 2.922 20 30 FFEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000563367191 517853528 /nfs/dbraw/zinc/85/35/28/517853528.db2.gz USRCOHBQHNDRPV-LLVKDONJSA-N 1 2 357.195 2.512 20 30 FFEDLO Cc1nnc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1C1CC1 ZINC000560501697 517853725 /nfs/dbraw/zinc/85/37/25/517853725.db2.gz OMTNXWMFVCLLED-UHFFFAOYSA-N 1 2 355.417 2.976 20 30 FFEDLO N#Cc1cc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cnc1C(F)(F)F ZINC000560609060 517927300 /nfs/dbraw/zinc/92/73/00/517927300.db2.gz FPNHITYTVPXBFZ-UHFFFAOYSA-N 1 2 372.310 2.864 20 30 FFEDLO N#Cc1cc(F)c(N2CCC[C@@H]2C[NH+]2CCOCC2)cc1Br ZINC000517041139 517993620 /nfs/dbraw/zinc/99/36/20/517993620.db2.gz GZSJMLPZAZDFCL-CYBMUJFWSA-N 1 2 368.250 2.761 20 30 FFEDLO COC(=O)C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC000530939390 518059416 /nfs/dbraw/zinc/05/94/16/518059416.db2.gz ILOPQQMFVZURGP-UHFFFAOYSA-N 1 2 355.356 2.711 20 30 FFEDLO COC(=O)C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC000530939390 518059423 /nfs/dbraw/zinc/05/94/23/518059423.db2.gz ILOPQQMFVZURGP-UHFFFAOYSA-N 1 2 355.356 2.711 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000535266611 518171651 /nfs/dbraw/zinc/17/16/51/518171651.db2.gz XYRWMBSDKYWSBT-QGZVFWFLSA-N 1 2 361.854 2.677 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000535266611 518171654 /nfs/dbraw/zinc/17/16/54/518171654.db2.gz XYRWMBSDKYWSBT-QGZVFWFLSA-N 1 2 361.854 2.677 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)NCCc1cccc(C#N)c1)C2 ZINC000575475080 518225143 /nfs/dbraw/zinc/22/51/43/518225143.db2.gz QRYNLJDAUMLACS-KRWDZBQOSA-N 1 2 365.481 2.909 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H](C)c2nc(C)no2)c(OC)c1 ZINC000563969548 518253477 /nfs/dbraw/zinc/25/34/77/518253477.db2.gz YQIFMFWDKACKKB-BBRMVZONSA-N 1 2 361.442 2.548 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H](C)c2nc(C)no2)c(OC)c1 ZINC000563969548 518253481 /nfs/dbraw/zinc/25/34/81/518253481.db2.gz YQIFMFWDKACKKB-BBRMVZONSA-N 1 2 361.442 2.548 20 30 FFEDLO Cc1occc1C(=O)Nc1cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc1F ZINC000569837696 518318377 /nfs/dbraw/zinc/31/83/77/518318377.db2.gz VOPXHTQVFACHDJ-HNNXBMFYSA-N 1 2 374.416 2.598 20 30 FFEDLO Cc1occc1C(=O)Nc1cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc1F ZINC000569837696 518318381 /nfs/dbraw/zinc/31/83/81/518318381.db2.gz VOPXHTQVFACHDJ-HNNXBMFYSA-N 1 2 374.416 2.598 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2ccccc2n1CC(F)(F)F ZINC000575872135 518320894 /nfs/dbraw/zinc/32/08/94/518320894.db2.gz GOXIAZASYSPJDD-MRXNPFEDSA-N 1 2 352.360 2.777 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](C)Cc1ccsc1 ZINC000564144332 518323112 /nfs/dbraw/zinc/32/31/12/518323112.db2.gz WZGWNHVJKIDUAW-CQSZACIVSA-N 1 2 363.508 2.742 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](C)Cc1ccsc1 ZINC000564144332 518323117 /nfs/dbraw/zinc/32/31/17/518323117.db2.gz WZGWNHVJKIDUAW-CQSZACIVSA-N 1 2 363.508 2.742 20 30 FFEDLO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000581551668 518341277 /nfs/dbraw/zinc/34/12/77/518341277.db2.gz VUTQJSRWJSNKEF-KRWDZBQOSA-N 1 2 364.421 2.970 20 30 FFEDLO CC(C)c1ncc(C[N@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)cn1 ZINC000584448805 518346368 /nfs/dbraw/zinc/34/63/68/518346368.db2.gz RRMAREVHHFSIJE-OAHLLOKOSA-N 1 2 355.467 2.770 20 30 FFEDLO CC(C)c1ncc(C[N@@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)cn1 ZINC000584448805 518346373 /nfs/dbraw/zinc/34/63/73/518346373.db2.gz RRMAREVHHFSIJE-OAHLLOKOSA-N 1 2 355.467 2.770 20 30 FFEDLO CCc1ccc([C@H](C#N)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000564218263 518355653 /nfs/dbraw/zinc/35/56/53/518355653.db2.gz CWEABENFKDMLBF-SFTDATJTSA-N 1 2 363.461 2.831 20 30 FFEDLO CCc1ccc([C@H](C#N)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000564218263 518355660 /nfs/dbraw/zinc/35/56/60/518355660.db2.gz CWEABENFKDMLBF-SFTDATJTSA-N 1 2 363.461 2.831 20 30 FFEDLO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cc(C#N)c(SC)[nH]c1=O)c1ccco1 ZINC000581843826 518464643 /nfs/dbraw/zinc/46/46/43/518464643.db2.gz IUPPRAQFWFWYLG-FZMZJTMJSA-N 1 2 374.466 2.833 20 30 FFEDLO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000567344309 518475785 /nfs/dbraw/zinc/47/57/85/518475785.db2.gz VDOCWDDTSSBEFC-INIZCTEOSA-N 1 2 374.514 2.651 20 30 FFEDLO N#Cc1ccc(OCCNC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000570324027 518549977 /nfs/dbraw/zinc/54/99/77/518549977.db2.gz MRCGWYKXBBLRHM-UHFFFAOYSA-N 1 2 360.417 2.541 20 30 FFEDLO Cc1cc(N2CCCN(c3nnc(C(F)(F)F)s3)CC2)c(C#N)c[nH+]1 ZINC000570325666 518551848 /nfs/dbraw/zinc/55/18/48/518551848.db2.gz MNVJLRFDTRXBOI-UHFFFAOYSA-N 1 2 368.388 2.849 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000564879983 518672322 /nfs/dbraw/zinc/67/23/22/518672322.db2.gz JOUGJGPBWGXXGA-IEBWSBKVSA-N 1 2 355.825 2.958 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000564879983 518672326 /nfs/dbraw/zinc/67/23/26/518672326.db2.gz JOUGJGPBWGXXGA-IEBWSBKVSA-N 1 2 355.825 2.958 20 30 FFEDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c2[nH+]ccn21 ZINC000570594580 518685097 /nfs/dbraw/zinc/68/50/97/518685097.db2.gz OSCFKZHDSJVXES-BXKDBHETSA-N 1 2 370.356 2.758 20 30 FFEDLO N#Cc1nccc(N2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)n1 ZINC000567752340 518693244 /nfs/dbraw/zinc/69/32/44/518693244.db2.gz GXFVVYTUVDFLES-UHFFFAOYSA-N 1 2 362.462 2.794 20 30 FFEDLO N#Cc1cnc2c(Cl)cccc2c1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000582357242 518714987 /nfs/dbraw/zinc/71/49/87/518714987.db2.gz NMLQDEXWAWQJTR-UHFFFAOYSA-N 1 2 352.829 2.805 20 30 FFEDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1C ZINC000573635025 518760809 /nfs/dbraw/zinc/76/08/09/518760809.db2.gz BMGIXMLPACECRQ-GOSISDBHSA-N 1 2 350.422 2.662 20 30 FFEDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1C ZINC000573635025 518760817 /nfs/dbraw/zinc/76/08/17/518760817.db2.gz BMGIXMLPACECRQ-GOSISDBHSA-N 1 2 350.422 2.662 20 30 FFEDLO C[C@@H](c1ccccc1)[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000577021470 518877286 /nfs/dbraw/zinc/87/72/86/518877286.db2.gz GDTNTXIPAHVMAD-HNNXBMFYSA-N 1 2 355.463 2.953 20 30 FFEDLO C[C@@H](c1ccccc1)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000577021470 518877287 /nfs/dbraw/zinc/87/72/87/518877287.db2.gz GDTNTXIPAHVMAD-HNNXBMFYSA-N 1 2 355.463 2.953 20 30 FFEDLO CC[C@H]1c2ccsc2CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588956844 518879360 /nfs/dbraw/zinc/87/93/60/518879360.db2.gz MWLBEEXJYKPROZ-HNNXBMFYSA-N 1 2 361.492 2.798 20 30 FFEDLO CC[C@H]1c2ccsc2CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588956844 518879372 /nfs/dbraw/zinc/87/93/72/518879372.db2.gz MWLBEEXJYKPROZ-HNNXBMFYSA-N 1 2 361.492 2.798 20 30 FFEDLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000589300438 518975797 /nfs/dbraw/zinc/97/57/97/518975797.db2.gz COECYGLATHATJX-FOIQADDNSA-N 1 2 355.482 2.985 20 30 FFEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000589300438 518975805 /nfs/dbraw/zinc/97/58/05/518975805.db2.gz COECYGLATHATJX-FOIQADDNSA-N 1 2 355.482 2.985 20 30 FFEDLO Cc1cnn([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)c1 ZINC000589309580 518977969 /nfs/dbraw/zinc/97/79/69/518977969.db2.gz VTSHTVGSHCQLKG-KGLIPLIRSA-N 1 2 369.494 2.887 20 30 FFEDLO Cc1cnn([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)c1 ZINC000589309580 518977977 /nfs/dbraw/zinc/97/79/77/518977977.db2.gz VTSHTVGSHCQLKG-KGLIPLIRSA-N 1 2 369.494 2.887 20 30 FFEDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3cccc(Cl)c3C#N)cn2c1 ZINC000577252360 518987650 /nfs/dbraw/zinc/98/76/50/518987650.db2.gz DBJUFTUFDSPWTI-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1(Cc2ccccc2Br)CC1 ZINC000565540701 519009043 /nfs/dbraw/zinc/00/90/43/519009043.db2.gz CPODDHBZFCLWPF-MRXNPFEDSA-N 1 2 364.287 2.732 20 30 FFEDLO Cc1nsc(N2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)c1C#N ZINC000574202199 519038475 /nfs/dbraw/zinc/03/84/75/519038475.db2.gz FEEJRIFAPURYHU-UHFFFAOYSA-N 1 2 350.488 2.567 20 30 FFEDLO C=CCn1c(Cc2ccccc2)nnc1SCC[N@H+]1CCOC[C@H]1C ZINC000571349553 519050481 /nfs/dbraw/zinc/05/04/81/519050481.db2.gz QSNIABLVTAMOEC-MRXNPFEDSA-N 1 2 358.511 2.868 20 30 FFEDLO C=CCn1c(Cc2ccccc2)nnc1SCC[N@@H+]1CCOC[C@H]1C ZINC000571349553 519050485 /nfs/dbraw/zinc/05/04/85/519050485.db2.gz QSNIABLVTAMOEC-MRXNPFEDSA-N 1 2 358.511 2.868 20 30 FFEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc(C#N)n2)C[C@H](C)O1 ZINC000589754405 519075775 /nfs/dbraw/zinc/07/57/75/519075775.db2.gz ZDIWHZFDARZLNL-GJZGRUSLSA-N 1 2 350.422 2.815 20 30 FFEDLO FC(F)(F)Oc1ccc(C#CCN2CCC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000580325560 519119886 /nfs/dbraw/zinc/11/98/86/519119886.db2.gz REGDQCKXUVZHQO-QGZVFWFLSA-N 1 2 368.399 2.733 20 30 FFEDLO N#Cc1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)cc1F ZINC000583410698 519232476 /nfs/dbraw/zinc/23/24/76/519232476.db2.gz BGLXIUOMHDFVJF-LJQANCHMSA-N 1 2 368.412 2.892 20 30 FFEDLO C[N@@H+]1CCO[C@H]([C@@H](NCc2nc(C#N)cs2)c2ccc(Cl)cc2)C1 ZINC000571770650 519267420 /nfs/dbraw/zinc/26/74/20/519267420.db2.gz PGTPOOYBWQLAMF-RDJZCZTQSA-N 1 2 362.886 2.830 20 30 FFEDLO C[N@H+]1CCO[C@H]([C@@H](NCc2nc(C#N)cs2)c2ccc(Cl)cc2)C1 ZINC000571770650 519267426 /nfs/dbraw/zinc/26/74/26/519267426.db2.gz PGTPOOYBWQLAMF-RDJZCZTQSA-N 1 2 362.886 2.830 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCOC[C@H]2c2ccc(F)cc2)cc1 ZINC000590761607 519356360 /nfs/dbraw/zinc/35/63/60/519356360.db2.gz FPKWZZJYBZJXPM-FPOVZHCZSA-N 1 2 370.424 2.705 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@H]2c2ccc(F)cc2)cc1 ZINC000590761607 519356365 /nfs/dbraw/zinc/35/63/65/519356365.db2.gz FPKWZZJYBZJXPM-FPOVZHCZSA-N 1 2 370.424 2.705 20 30 FFEDLO CCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CC(=O)N(C)C1=O ZINC000569123878 519391755 /nfs/dbraw/zinc/39/17/55/519391755.db2.gz UGGCTQBYZMPHCI-HNNXBMFYSA-N 1 2 352.356 2.526 20 30 FFEDLO CCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CC(=O)N(C)C1=O ZINC000569123878 519391763 /nfs/dbraw/zinc/39/17/63/519391763.db2.gz UGGCTQBYZMPHCI-HNNXBMFYSA-N 1 2 352.356 2.526 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000580958280 519448455 /nfs/dbraw/zinc/44/84/55/519448455.db2.gz SRMSRSTWSFZDLL-OAQYLSRUSA-N 1 2 362.433 2.711 20 30 FFEDLO CCOc1cc(C[N@@H+](CCC#N)CCOC)cc(Br)c1O ZINC000590952813 519456158 /nfs/dbraw/zinc/45/61/58/519456158.db2.gz KNJNJVOXLINGDJ-UHFFFAOYSA-N 1 2 357.248 2.915 20 30 FFEDLO CCOc1cc(C[N@H+](CCC#N)CCOC)cc(Br)c1O ZINC000590952813 519456165 /nfs/dbraw/zinc/45/61/65/519456165.db2.gz KNJNJVOXLINGDJ-UHFFFAOYSA-N 1 2 357.248 2.915 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000575049749 519472084 /nfs/dbraw/zinc/47/20/84/519472084.db2.gz MVLCKBNXMPLMSZ-UHFFFAOYSA-N 1 2 364.405 2.815 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000575049749 519472092 /nfs/dbraw/zinc/47/20/92/519472092.db2.gz MVLCKBNXMPLMSZ-UHFFFAOYSA-N 1 2 364.405 2.815 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000581129458 519538027 /nfs/dbraw/zinc/53/80/27/519538027.db2.gz VRCGQEPUBJZXQK-HXUWFJFHSA-N 1 2 373.522 2.758 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000581129458 519538037 /nfs/dbraw/zinc/53/80/37/519538037.db2.gz VRCGQEPUBJZXQK-HXUWFJFHSA-N 1 2 373.522 2.758 20 30 FFEDLO Cc1cccnc1OC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000584022844 519550609 /nfs/dbraw/zinc/55/06/09/519550609.db2.gz KSJKBXKMMOETQU-UHFFFAOYSA-N 1 2 350.422 2.744 20 30 FFEDLO C[C@@H]1C[NH+](CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H](C)N1CC#N ZINC000602855543 519928676 /nfs/dbraw/zinc/92/86/76/519928676.db2.gz HYWNROLWNXSYFO-CHWSQXEVSA-N 1 2 354.376 2.562 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857899 519931535 /nfs/dbraw/zinc/93/15/35/519931535.db2.gz WRKLQNULFVFONM-HZSPNIEDSA-N 1 2 368.403 2.951 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857899 519931543 /nfs/dbraw/zinc/93/15/43/519931543.db2.gz WRKLQNULFVFONM-HZSPNIEDSA-N 1 2 368.403 2.951 20 30 FFEDLO COc1ccc(C2=NN(C(=O)C[NH2+][C@@H](C)CC#N)[C@H](c3ccco3)C2)cc1 ZINC000602865120 519935659 /nfs/dbraw/zinc/93/56/59/519935659.db2.gz SZQMECWMLWSARJ-KSSFIOAISA-N 1 2 366.421 2.858 20 30 FFEDLO C[N@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)[C@H]1CCC[C@@H]1C#N ZINC000602977890 520003658 /nfs/dbraw/zinc/00/36/58/520003658.db2.gz ILIKQJVTQGTIDR-ZBFHGGJFSA-N 1 2 369.387 2.868 20 30 FFEDLO C[N@@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)[C@H]1CCC[C@@H]1C#N ZINC000602977890 520003664 /nfs/dbraw/zinc/00/36/64/520003664.db2.gz ILIKQJVTQGTIDR-ZBFHGGJFSA-N 1 2 369.387 2.868 20 30 FFEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000591821711 520053554 /nfs/dbraw/zinc/05/35/54/520053554.db2.gz YDDXSWRRKTYMDF-MOPGFXCFSA-N 1 2 365.481 2.624 20 30 FFEDLO COc1ccc(Cl)cc1N1C(=O)C[C@H]([N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000594659543 520071156 /nfs/dbraw/zinc/07/11/56/520071156.db2.gz DSYPRFDGGGWJKB-DOMZBBRYSA-N 1 2 361.829 2.606 20 30 FFEDLO COc1ccc(Cl)cc1N1C(=O)C[C@H]([N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000594659543 520071160 /nfs/dbraw/zinc/07/11/60/520071160.db2.gz DSYPRFDGGGWJKB-DOMZBBRYSA-N 1 2 361.829 2.606 20 30 FFEDLO N#CC1(c2ccc(CNc3ccc(N4CCC(CO)CC4)c[nH+]3)cc2)CC1 ZINC000594734706 520122708 /nfs/dbraw/zinc/12/27/08/520122708.db2.gz FIYPPIHRCCUJJA-UHFFFAOYSA-N 1 2 362.477 2.879 20 30 FFEDLO N#CC1(CC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCOCC1 ZINC000597623624 520142573 /nfs/dbraw/zinc/14/25/73/520142573.db2.gz JAPYNQYQGUCDOE-INIZCTEOSA-N 1 2 356.470 2.636 20 30 FFEDLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)sc2C1 ZINC000609112711 520194956 /nfs/dbraw/zinc/19/49/56/520194956.db2.gz LLNYSGDQVXVDBA-INIZCTEOSA-N 1 2 367.478 2.610 20 30 FFEDLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)sc2C1 ZINC000609112711 520194961 /nfs/dbraw/zinc/19/49/61/520194961.db2.gz LLNYSGDQVXVDBA-INIZCTEOSA-N 1 2 367.478 2.610 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000603288908 520200442 /nfs/dbraw/zinc/20/04/42/520200442.db2.gz MKLAYSNFGHBTFS-UHFFFAOYSA-N 1 2 364.478 2.913 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000603288908 520200448 /nfs/dbraw/zinc/20/04/48/520200448.db2.gz MKLAYSNFGHBTFS-UHFFFAOYSA-N 1 2 364.478 2.913 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000592205063 520262128 /nfs/dbraw/zinc/26/21/28/520262128.db2.gz IIVWJYKYHOKMDJ-HNNXBMFYSA-N 1 2 353.825 2.615 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000592205063 520262134 /nfs/dbraw/zinc/26/21/34/520262134.db2.gz IIVWJYKYHOKMDJ-HNNXBMFYSA-N 1 2 353.825 2.615 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C(C)(C)CO ZINC000597846363 520276354 /nfs/dbraw/zinc/27/63/54/520276354.db2.gz KWNHTBWYOKUKSY-MRXNPFEDSA-N 1 2 354.454 2.711 20 30 FFEDLO Cn1c2ccc(NC(=O)C(=O)N3CCC[C@H](CC#N)C3)cc2[nH+]c1C1CC1 ZINC000595086392 520288615 /nfs/dbraw/zinc/28/86/15/520288615.db2.gz IYQAOROYJZLFNN-CYBMUJFWSA-N 1 2 365.437 2.541 20 30 FFEDLO Cc1cccc2[nH+]c(CNC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)cn21 ZINC000609462559 520320624 /nfs/dbraw/zinc/32/06/24/520320624.db2.gz FVPJNQFTXWHZMD-LJQANCHMSA-N 1 2 359.433 2.800 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)Nc2cccc3ncccc32)CC1 ZINC000609485956 520327846 /nfs/dbraw/zinc/32/78/46/520327846.db2.gz AQXAFHGVCZWLEC-JXFKEZNVSA-N 1 2 365.481 2.728 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000609484344 520328748 /nfs/dbraw/zinc/32/87/48/520328748.db2.gz AXKFOGOPSZBFRF-LPHOPBHVSA-N 1 2 360.477 2.511 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609537892 520348467 /nfs/dbraw/zinc/34/84/67/520348467.db2.gz HJDVAEUGURWZSP-MJGOQNOKSA-N 1 2 374.554 2.817 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000595219616 520355404 /nfs/dbraw/zinc/35/54/04/520355404.db2.gz LHKLVHRPEUPLGM-OLZOCXBDSA-N 1 2 371.466 2.630 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3nc4c(cc3C#N)CCC4)CC2)cc1F ZINC000603840959 520372612 /nfs/dbraw/zinc/37/26/12/520372612.db2.gz DXEXTRKBVXLWMQ-UHFFFAOYSA-N 1 2 366.440 2.912 20 30 FFEDLO CCOC(=O)c1c(C)n[nH]c1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000595305264 520398101 /nfs/dbraw/zinc/39/81/01/520398101.db2.gz ZRZWGUUUCZAEHV-UHFFFAOYSA-N 1 2 368.437 2.810 20 30 FFEDLO Cc1oc(NC(=O)C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c(C#N)c1C ZINC000603905091 520400634 /nfs/dbraw/zinc/40/06/34/520400634.db2.gz AVDDCLSSBPZBFY-IRXDYDNUSA-N 1 2 364.449 2.775 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000603905518 520400658 /nfs/dbraw/zinc/40/06/58/520400658.db2.gz HFUFGDKVSHDASO-HZPDHXFCSA-N 1 2 352.463 2.626 20 30 FFEDLO Cc1cc(F)ccc1N1CCC[C@@H]([NH+]2CCN([C@@H](C#N)C(C)C)CC2)C1=O ZINC000609767198 520426294 /nfs/dbraw/zinc/42/62/94/520426294.db2.gz IGHYYZNMAGGFPA-UXHICEINSA-N 1 2 372.488 2.795 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000592522103 520438247 /nfs/dbraw/zinc/43/82/47/520438247.db2.gz HSCBCSNBTCAHST-MRXNPFEDSA-N 1 2 361.243 2.690 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000592522103 520438255 /nfs/dbraw/zinc/43/82/55/520438255.db2.gz HSCBCSNBTCAHST-MRXNPFEDSA-N 1 2 361.243 2.690 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3Cc4ccccc43)CC2)cc1 ZINC000604291014 520507814 /nfs/dbraw/zinc/50/78/14/520507814.db2.gz AHHRHYCCOZTLAY-HXUWFJFHSA-N 1 2 360.461 2.725 20 30 FFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000604442465 520563617 /nfs/dbraw/zinc/56/36/17/520563617.db2.gz LRTXHETWQUKJJE-UHFFFAOYSA-N 1 2 366.421 2.517 20 30 FFEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595634024 520611700 /nfs/dbraw/zinc/61/17/00/520611700.db2.gz UAYNQQOTCDGMNF-INIZCTEOSA-N 1 2 368.506 2.961 20 30 FFEDLO N#Cc1ccc(CNC(=O)NCc2ccc[nH+]c2N2CCCC2)cc1F ZINC000595648802 520623069 /nfs/dbraw/zinc/62/30/69/520623069.db2.gz VCXXHNDDZQDSHT-UHFFFAOYSA-N 1 2 353.401 2.692 20 30 FFEDLO Cc1cc(N2CCN(c3cc(C#N)nc(C4CC4)n3)CC2)nc(C(C)C)[nH+]1 ZINC000601101155 520636776 /nfs/dbraw/zinc/63/67/76/520636776.db2.gz NXROKWALHUYNRV-UHFFFAOYSA-N 1 2 363.469 2.774 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000610371940 520653807 /nfs/dbraw/zinc/65/38/07/520653807.db2.gz HVBRGZLOIYNQQM-PZJWPPBQSA-N 1 2 352.434 2.566 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000610371940 520653816 /nfs/dbraw/zinc/65/38/16/520653816.db2.gz HVBRGZLOIYNQQM-PZJWPPBQSA-N 1 2 352.434 2.566 20 30 FFEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)[C@H]2CCCC[C@H]12 ZINC000595737091 520687549 /nfs/dbraw/zinc/68/75/49/520687549.db2.gz OTTYKYSCVOHEDF-KFWWJZLASA-N 1 2 361.467 2.612 20 30 FFEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)[C@H]2CCCC[C@H]12 ZINC000595737091 520687554 /nfs/dbraw/zinc/68/75/54/520687554.db2.gz OTTYKYSCVOHEDF-KFWWJZLASA-N 1 2 361.467 2.612 20 30 FFEDLO CC(=O)Nc1nc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cs1 ZINC000595772516 520714596 /nfs/dbraw/zinc/71/45/96/520714596.db2.gz HBWQXJRCILPPRW-UHFFFAOYSA-N 1 2 356.451 2.769 20 30 FFEDLO COc1cccc([C@H](NC(=O)Cc2cccc(C#N)c2)c2[nH+]ccn2C)c1 ZINC000610519220 520725293 /nfs/dbraw/zinc/72/52/93/520725293.db2.gz JJYUTZLIWYKWGE-FQEVSTJZSA-N 1 2 360.417 2.749 20 30 FFEDLO COCCN(CCC#N)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000610540801 520731817 /nfs/dbraw/zinc/73/18/17/520731817.db2.gz PKICKPGWIAVWDI-UHFFFAOYSA-N 1 2 351.476 2.523 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000610604323 520762280 /nfs/dbraw/zinc/76/22/80/520762280.db2.gz RMBCVPLZCGRLMF-IVAOSVALSA-N 1 2 367.493 2.928 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000610604323 520762286 /nfs/dbraw/zinc/76/22/86/520762286.db2.gz RMBCVPLZCGRLMF-IVAOSVALSA-N 1 2 367.493 2.928 20 30 FFEDLO CC(C)(C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)c1c[nH+]c[nH]1 ZINC000598698959 520794167 /nfs/dbraw/zinc/79/41/67/520794167.db2.gz ZUNWMDZOYWOBJF-MRXNPFEDSA-N 1 2 371.872 2.750 20 30 FFEDLO N#Cc1cc(O)cc(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000614293343 520895452 /nfs/dbraw/zinc/89/54/52/520895452.db2.gz KHAIDEOSVKYOEN-UHFFFAOYSA-N 1 2 355.825 2.875 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)NCC3(C#N)CCCC3)c[nH+]2)C[C@H](C)O1 ZINC000593301937 520895454 /nfs/dbraw/zinc/89/54/54/520895454.db2.gz AJTURPITDHQQAD-HOTGVXAUSA-N 1 2 371.485 2.578 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@H](CC#N)C1)c1cccc(F)c1 ZINC000596106957 520916222 /nfs/dbraw/zinc/91/62/22/520916222.db2.gz BJHYVPMUOXODEM-RHSMWYFYSA-N 1 2 355.417 2.984 20 30 FFEDLO Cc1cc(N2CCC[N@H+](Cc3cscn3)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596108009 520916462 /nfs/dbraw/zinc/91/64/62/520916462.db2.gz KMVHNHGGXQDZKT-UHFFFAOYSA-N 1 2 357.439 2.944 20 30 FFEDLO Cc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596108009 520916464 /nfs/dbraw/zinc/91/64/64/520916464.db2.gz KMVHNHGGXQDZKT-UHFFFAOYSA-N 1 2 357.439 2.944 20 30 FFEDLO N#Cc1cc(C[NH+]2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)ccn1 ZINC000610991981 520932908 /nfs/dbraw/zinc/93/29/08/520932908.db2.gz XYWWBNHLPNYLBZ-UHFFFAOYSA-N 1 2 366.856 2.572 20 30 FFEDLO Cc1ccc(OCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3C)CC2)cc1 ZINC000614396682 520944909 /nfs/dbraw/zinc/94/49/09/520944909.db2.gz FACZVGWKAUXAHB-UHFFFAOYSA-N 1 2 363.461 2.898 20 30 FFEDLO CCc1nc(C#N)cc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)n1 ZINC000596184399 520957367 /nfs/dbraw/zinc/95/73/67/520957367.db2.gz GLXLOISIILOJKZ-UHFFFAOYSA-N 1 2 358.449 2.913 20 30 FFEDLO C[C@@H](NC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000611175897 521026242 /nfs/dbraw/zinc/02/62/42/521026242.db2.gz OYROOKNXFADABS-CYBMUJFWSA-N 1 2 369.296 2.702 20 30 FFEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cn1 ZINC000611209077 521036509 /nfs/dbraw/zinc/03/65/09/521036509.db2.gz DQGPRDBIIWDLEU-HNNXBMFYSA-N 1 2 370.428 2.996 20 30 FFEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cn1 ZINC000611209077 521036516 /nfs/dbraw/zinc/03/65/16/521036516.db2.gz DQGPRDBIIWDLEU-HNNXBMFYSA-N 1 2 370.428 2.996 20 30 FFEDLO COc1cccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1OC ZINC000611260476 521063432 /nfs/dbraw/zinc/06/34/32/521063432.db2.gz YVEFERDPTRNPDD-UHFFFAOYSA-N 1 2 368.437 2.763 20 30 FFEDLO C=C(C)[C@H](CC(=O)N(CCn1cc[nH+]c1)C1CCSCC1)OCC ZINC000614672831 521086565 /nfs/dbraw/zinc/08/65/65/521086565.db2.gz DMGVFVHJOWZFAD-KRWDZBQOSA-N 1 2 351.516 2.979 20 30 FFEDLO CC(C)C[C@@H](C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1)n1cc[nH+]c1 ZINC000602039604 521094461 /nfs/dbraw/zinc/09/44/61/521094461.db2.gz FTYFFXNZIGWCHX-PMACEKPBSA-N 1 2 365.481 2.879 20 30 FFEDLO COc1cc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)ccc1C#N ZINC000593646390 521128201 /nfs/dbraw/zinc/12/82/01/521128201.db2.gz WCULQGIJRCJMGZ-HXUWFJFHSA-N 1 2 361.445 2.772 20 30 FFEDLO COc1cc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)ccc1C#N ZINC000593646390 521128207 /nfs/dbraw/zinc/12/82/07/521128207.db2.gz WCULQGIJRCJMGZ-HXUWFJFHSA-N 1 2 361.445 2.772 20 30 FFEDLO Cn1ncc2c1CC(C)(C)C[N@@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000596599306 521157121 /nfs/dbraw/zinc/15/71/21/521157121.db2.gz TUJURKOJHONRJE-OAHLLOKOSA-N 1 2 369.494 2.543 20 30 FFEDLO Cn1ncc2c1CC(C)(C)C[N@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000596599306 521157126 /nfs/dbraw/zinc/15/71/26/521157126.db2.gz TUJURKOJHONRJE-OAHLLOKOSA-N 1 2 369.494 2.543 20 30 FFEDLO C[C@@H]1C[N@H+](CCNC(=O)N[C@H](CCCC#N)c2ccccc2)[C@H](C)CO1 ZINC000596606583 521164366 /nfs/dbraw/zinc/16/43/66/521164366.db2.gz RGARHNBEVAVRMG-ZHALLVOQSA-N 1 2 358.486 2.830 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@H](CCCC#N)c2ccccc2)[C@H](C)CO1 ZINC000596606583 521164367 /nfs/dbraw/zinc/16/43/67/521164367.db2.gz RGARHNBEVAVRMG-ZHALLVOQSA-N 1 2 358.486 2.830 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c(Br)c1 ZINC000611500532 521189284 /nfs/dbraw/zinc/18/92/84/521189284.db2.gz KEGSDSCMSCRSJF-OAHLLOKOSA-N 1 2 362.271 2.908 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)c(Br)c1 ZINC000611500532 521189293 /nfs/dbraw/zinc/18/92/93/521189293.db2.gz KEGSDSCMSCRSJF-OAHLLOKOSA-N 1 2 362.271 2.908 20 30 FFEDLO N#CC1(c2ccc(C(=O)N3CC[NH+](CCc4ccncc4)CC3)cc2)CC1 ZINC000602196753 521203373 /nfs/dbraw/zinc/20/33/73/521203373.db2.gz BPECPIQIUDJNKP-UHFFFAOYSA-N 1 2 360.461 2.637 20 30 FFEDLO CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552022 521216270 /nfs/dbraw/zinc/21/62/70/521216270.db2.gz ZSNIVPDNUSWZCL-YLJYHZDGSA-N 1 2 374.504 2.901 20 30 FFEDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000611554222 521217253 /nfs/dbraw/zinc/21/72/53/521217253.db2.gz IDXINZBKKMSYJV-GXTWGEPZSA-N 1 2 360.401 2.995 20 30 FFEDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000611554222 521217254 /nfs/dbraw/zinc/21/72/54/521217254.db2.gz IDXINZBKKMSYJV-GXTWGEPZSA-N 1 2 360.401 2.995 20 30 FFEDLO N#Cc1c(F)cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cc1F ZINC000596727229 521247431 /nfs/dbraw/zinc/24/74/31/521247431.db2.gz IEZSOPMXJYJJEO-IBGZPJMESA-N 1 2 371.387 2.640 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000596732923 521252453 /nfs/dbraw/zinc/25/24/53/521252453.db2.gz SJCBOANPUVTYKK-MCIONIFRSA-N 1 2 359.227 2.667 20 30 FFEDLO CN(Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000596861790 521337587 /nfs/dbraw/zinc/33/75/87/521337587.db2.gz AFSUCOLZHFAJNV-UHFFFAOYSA-N 1 2 366.425 2.657 20 30 FFEDLO CN(Cc1c[nH]c[nH+]1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000596861790 521337593 /nfs/dbraw/zinc/33/75/93/521337593.db2.gz AFSUCOLZHFAJNV-UHFFFAOYSA-N 1 2 366.425 2.657 20 30 FFEDLO CSc1nc(C2CC2)cc(C(=O)N2CCn3cc(C)[nH+]c3C2)c1C#N ZINC000611894723 521384207 /nfs/dbraw/zinc/38/42/07/521384207.db2.gz HCSLMWQYJAFCGM-UHFFFAOYSA-N 1 2 353.451 2.714 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675016 521391014 /nfs/dbraw/zinc/39/10/14/521391014.db2.gz GZBMOMDACNFNHU-BEFAXECRSA-N 1 2 368.481 2.515 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675016 521391020 /nfs/dbraw/zinc/39/10/20/521391020.db2.gz GZBMOMDACNFNHU-BEFAXECRSA-N 1 2 368.481 2.515 20 30 FFEDLO COc1ccccc1N1CC[C@@H]([N@@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000599677608 521392451 /nfs/dbraw/zinc/39/24/51/521392451.db2.gz ALFKZYNRPGDZTC-HXUWFJFHSA-N 1 2 361.445 2.925 20 30 FFEDLO COc1ccccc1N1CC[C@@H]([N@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000599677608 521392453 /nfs/dbraw/zinc/39/24/53/521392453.db2.gz ALFKZYNRPGDZTC-HXUWFJFHSA-N 1 2 361.445 2.925 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000619140854 521414411 /nfs/dbraw/zinc/41/44/11/521414411.db2.gz YPLDRYHRSJPPAI-LLVKDONJSA-N 1 2 356.253 2.658 20 30 FFEDLO C[C@]1(C#N)CCCN(CC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000612161423 521512913 /nfs/dbraw/zinc/51/29/13/521512913.db2.gz BPDKUAFLSWKENW-HXUWFJFHSA-N 1 2 374.916 2.610 20 30 FFEDLO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612167416 521515989 /nfs/dbraw/zinc/51/59/89/521515989.db2.gz YKWWKXLTQYJAJL-BXTJHSDWSA-N 1 2 359.470 2.895 20 30 FFEDLO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612167416 521515998 /nfs/dbraw/zinc/51/59/98/521515998.db2.gz YKWWKXLTQYJAJL-BXTJHSDWSA-N 1 2 359.470 2.895 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCOCC3(CCOCC3)C2)c1C#N ZINC000612188662 521524408 /nfs/dbraw/zinc/52/44/08/521524408.db2.gz LUMSNCNCYMENLW-UHFFFAOYSA-N 1 2 366.465 2.681 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCOCC3(CCOCC3)C2)c1C#N ZINC000612188662 521524418 /nfs/dbraw/zinc/52/44/18/521524418.db2.gz LUMSNCNCYMENLW-UHFFFAOYSA-N 1 2 366.465 2.681 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)Nc1ccccc1CC#N)CC2 ZINC000594354795 521573540 /nfs/dbraw/zinc/57/35/40/521573540.db2.gz QNFZTZDQTCWCHB-UHFFFAOYSA-N 1 2 365.433 2.767 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)Nc1ccccc1CC#N)CC2 ZINC000594354795 521573548 /nfs/dbraw/zinc/57/35/48/521573548.db2.gz QNFZTZDQTCWCHB-UHFFFAOYSA-N 1 2 365.433 2.767 20 30 FFEDLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000616132730 521627619 /nfs/dbraw/zinc/62/76/19/521627619.db2.gz SYXKOAAARLLPTA-INIZCTEOSA-N 1 2 366.440 2.524 20 30 FFEDLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000616132730 521627623 /nfs/dbraw/zinc/62/76/23/521627623.db2.gz SYXKOAAARLLPTA-INIZCTEOSA-N 1 2 366.440 2.524 20 30 FFEDLO N#C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000619784864 521870953 /nfs/dbraw/zinc/87/09/53/521870953.db2.gz YRVLGEYYQBUSTG-IBGZPJMESA-N 1 2 374.916 2.971 20 30 FFEDLO COc1ccc2c(c1)OCC[N@H+]([C@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000619810769 521884501 /nfs/dbraw/zinc/88/45/01/521884501.db2.gz VURMKNDWQXLKOL-CQSZACIVSA-N 1 2 351.406 2.788 20 30 FFEDLO COc1ccc2c(c1)OCC[N@@H+]([C@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000619810769 521884513 /nfs/dbraw/zinc/88/45/13/521884513.db2.gz VURMKNDWQXLKOL-CQSZACIVSA-N 1 2 351.406 2.788 20 30 FFEDLO C=CC(C)(C)CCNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000623401699 521994173 /nfs/dbraw/zinc/99/41/73/521994173.db2.gz KZBNOJSOPMNFRQ-UHFFFAOYSA-N 1 2 372.513 2.991 20 30 FFEDLO C=CC[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000629436098 522219983 /nfs/dbraw/zinc/21/99/83/522219983.db2.gz QYFCTQPCWHMDHY-SFTDATJTSA-N 1 2 365.477 2.759 20 30 FFEDLO C=CC[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000629436098 522219991 /nfs/dbraw/zinc/21/99/91/522219991.db2.gz QYFCTQPCWHMDHY-SFTDATJTSA-N 1 2 365.477 2.759 20 30 FFEDLO C=CCCc1ccccc1NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000626555226 522277167 /nfs/dbraw/zinc/27/71/67/522277167.db2.gz PWZOMIPGZJQCHL-OAQYLSRUSA-N 1 2 373.497 2.543 20 30 FFEDLO C=CCCc1ccccc1NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000626555226 522277178 /nfs/dbraw/zinc/27/71/78/522277178.db2.gz PWZOMIPGZJQCHL-OAQYLSRUSA-N 1 2 373.497 2.543 20 30 FFEDLO C=CC[C@H](C(=O)N1CC[NH+](CCc2cnccn2)CC1)c1ccccc1 ZINC000634510103 523465448 /nfs/dbraw/zinc/46/54/48/523465448.db2.gz NRUFFPTUJITFCZ-FQEVSTJZSA-N 1 2 350.466 2.523 20 30 FFEDLO C=CC[C@@H](C(=O)N1CC[NH+](CCc2cnccn2)CC1)c1ccccc1 ZINC000634510104 523465798 /nfs/dbraw/zinc/46/57/98/523465798.db2.gz NRUFFPTUJITFCZ-HXUWFJFHSA-N 1 2 350.466 2.523 20 30 FFEDLO C=CCC[C@H](C(=O)N1CC[NH+](CCc2cnccn2)CC1)c1ccccc1 ZINC000634510345 523466438 /nfs/dbraw/zinc/46/64/38/523466438.db2.gz XBWVUDHMKQEGOU-NRFANRHFSA-N 1 2 364.493 2.913 20 30 FFEDLO N#CC1(NC(=O)CN2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)CCCCC1 ZINC000275548283 526433522 /nfs/dbraw/zinc/43/35/22/526433522.db2.gz DHFGOUMFYSLVBU-KRWDZBQOSA-N 1 2 355.486 2.768 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H]2CCSc3ccccc32)c1C#N ZINC000534056647 562524392 /nfs/dbraw/zinc/52/43/92/562524392.db2.gz FXVGVHILZKCBQN-CYBMUJFWSA-N 1 2 355.467 2.651 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC([NH2+]CC3CCN(C(=O)[O-])CC3)CC2)cc1 ZINC000833971783 606008047 /nfs/dbraw/zinc/00/80/47/606008047.db2.gz NNWGZHGBBJNCTL-UHFFFAOYSA-N 1 2 356.470 2.502 20 30 FFEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)c1cccc(C#N)c1 ZINC000824633634 608480974 /nfs/dbraw/zinc/48/09/74/608480974.db2.gz PTBXASSMWMQRLD-LBPRGKRZSA-N 1 2 372.392 2.639 20 30 FFEDLO C=CC[N@@H+](Cc1cn2cccc(F)c2n1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914321 608632640 /nfs/dbraw/zinc/63/26/40/608632640.db2.gz FQFZKDVECBTTIN-UHFFFAOYSA-N 1 2 363.400 2.842 20 30 FFEDLO C=CC[N@H+](Cc1cn2cccc(F)c2n1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914321 608632641 /nfs/dbraw/zinc/63/26/41/608632641.db2.gz FQFZKDVECBTTIN-UHFFFAOYSA-N 1 2 363.400 2.842 20 30 FFEDLO C=CC[NH+]1CCN(C(F)(F)COC(=O)Nc2ccc(Cl)nc2)CC1 ZINC001165035417 721873438 /nfs/dbraw/zinc/87/34/38/721873438.db2.gz UUWMLMQMINHWKH-UHFFFAOYSA-N 1 2 360.792 2.680 20 30 FFEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+](C)C[C@@H]2CCOC2)c1=S ZINC000162449342 728945300 /nfs/dbraw/zinc/94/53/00/728945300.db2.gz LQQZRSVBEROWMX-HNNXBMFYSA-N 1 2 359.499 2.978 20 30 FFEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+](C)C[C@@H]2CCOC2)c1=S ZINC000162449342 728945303 /nfs/dbraw/zinc/94/53/03/728945303.db2.gz LQQZRSVBEROWMX-HNNXBMFYSA-N 1 2 359.499 2.978 20 30 FFEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898911418 735422358 /nfs/dbraw/zinc/42/23/58/735422358.db2.gz RIGPXVGXBNXCDE-CYBMUJFWSA-N 1 2 370.881 2.770 20 30 FFEDLO C=C(C)COc1cc(C[N@H+](C)CC(C)(C)S(C)(=O)=O)ccc1OC ZINC000093772798 728477653 /nfs/dbraw/zinc/47/76/53/728477653.db2.gz WRAZCXVXPIESQG-UHFFFAOYSA-N 1 2 355.500 2.905 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+](C)CC(C)(C)S(C)(=O)=O)ccc1OC ZINC000093772798 728477654 /nfs/dbraw/zinc/47/76/54/728477654.db2.gz WRAZCXVXPIESQG-UHFFFAOYSA-N 1 2 355.500 2.905 20 30 FFEDLO COc1cc(C(=O)/C=C/c2c[nH+]c3ccccn23)ccc1S(C)(=O)=O ZINC000119136929 728588348 /nfs/dbraw/zinc/58/83/48/728588348.db2.gz VINNISYFBHDBBB-BQYQJAHWSA-N 1 2 356.403 2.643 20 30 FFEDLO COc1cc(C#N)ccc1C[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000120988076 728618527 /nfs/dbraw/zinc/61/85/27/728618527.db2.gz WANGBNDVAYGTQB-UHFFFAOYSA-N 1 2 356.857 2.933 20 30 FFEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000122417984 728647127 /nfs/dbraw/zinc/64/71/27/728647127.db2.gz IUHRPDJICDDQJR-UHFFFAOYSA-N 1 2 366.393 2.866 20 30 FFEDLO CO[C@H]1C[C@@H](C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)[N@H+](C)C1 ZINC000329135307 729796447 /nfs/dbraw/zinc/79/64/47/729796447.db2.gz QLYAMLJCPFWCOL-BBRMVZONSA-N 1 2 365.861 2.883 20 30 FFEDLO CO[C@H]1C[C@@H](C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)[N@@H+](C)C1 ZINC000329135307 729796449 /nfs/dbraw/zinc/79/64/49/729796449.db2.gz QLYAMLJCPFWCOL-BBRMVZONSA-N 1 2 365.861 2.883 20 30 FFEDLO C[C@@H](CNC(=O)Nc1nc2c(s1)CCCC2(C)C)[NH+]1CCOCC1 ZINC000329495736 729797624 /nfs/dbraw/zinc/79/76/24/729797624.db2.gz FTEHLSZGEQJDEJ-LBPRGKRZSA-N 1 2 352.504 2.804 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ncc[nH]1)CCC2 ZINC000334031852 729813507 /nfs/dbraw/zinc/81/35/07/729813507.db2.gz LVIUNYUAVOCIDH-AWEZNQCLSA-N 1 2 355.467 2.997 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H]1c1ncc[nH]1)CCC2 ZINC000334031852 729813509 /nfs/dbraw/zinc/81/35/09/729813509.db2.gz LVIUNYUAVOCIDH-AWEZNQCLSA-N 1 2 355.467 2.997 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC)c(Br)c1 ZINC000779223927 738444598 /nfs/dbraw/zinc/44/45/98/738444598.db2.gz NNEFVDPQPPKXBG-AWEZNQCLSA-N 1 2 351.244 2.884 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC)c(Br)c1 ZINC000779223927 738444599 /nfs/dbraw/zinc/44/45/99/738444599.db2.gz NNEFVDPQPPKXBG-AWEZNQCLSA-N 1 2 351.244 2.884 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nn1 ZINC000640782795 730175799 /nfs/dbraw/zinc/17/57/99/730175799.db2.gz XJFNXTYPODEDTL-LLVKDONJSA-N 1 2 366.252 2.898 20 30 FFEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)s1 ZINC000857884057 730413494 /nfs/dbraw/zinc/41/34/94/730413494.db2.gz ADBYHYPNRLAFFP-NSHDSACASA-N 1 2 368.915 2.776 20 30 FFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC000864428465 730844650 /nfs/dbraw/zinc/84/46/50/730844650.db2.gz DSUPBMMSWPNLBS-BXUZGUMPSA-N 1 2 351.332 2.746 20 30 FFEDLO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1cccc(C#N)c1O ZINC000866345878 731050875 /nfs/dbraw/zinc/05/08/75/731050875.db2.gz GFFWJFNBIOSNJK-ZDUSSCGKSA-N 1 2 365.499 2.507 20 30 FFEDLO C[C@@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1cccc(C#N)c1O ZINC000866354255 731051571 /nfs/dbraw/zinc/05/15/71/731051571.db2.gz LUICQKIJWLYBMK-OAHLLOKOSA-N 1 2 358.463 2.572 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2ccc(C)cc2C#N)c1C ZINC000872443498 731768518 /nfs/dbraw/zinc/76/85/18/731768518.db2.gz RTPOJNWTQJOULI-UHFFFAOYSA-N 1 2 359.451 2.708 20 30 FFEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000780980449 738591852 /nfs/dbraw/zinc/59/18/52/738591852.db2.gz KIHQJKGEXYESFH-ROUUACIJSA-N 1 2 353.507 2.671 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)ccc1OC ZINC000877789831 732432279 /nfs/dbraw/zinc/43/22/79/732432279.db2.gz CSQXCOYOGGDCEC-IAGOWNOFSA-N 1 2 365.495 2.517 20 30 FFEDLO C=C(C)COc1cc(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)ccc1OC ZINC000877789831 732432284 /nfs/dbraw/zinc/43/22/84/732432284.db2.gz CSQXCOYOGGDCEC-IAGOWNOFSA-N 1 2 365.495 2.517 20 30 FFEDLO C=C(C)C[C@H](CO)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000878012751 732467723 /nfs/dbraw/zinc/46/77/23/732467723.db2.gz UPPNSAVIVUCODW-UONOGXRCSA-N 1 2 352.504 2.824 20 30 FFEDLO C=C(C)C[C@H](CO)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000878012751 732467726 /nfs/dbraw/zinc/46/77/26/732467726.db2.gz UPPNSAVIVUCODW-UONOGXRCSA-N 1 2 352.504 2.824 20 30 FFEDLO C#CCC1(O)CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000880482525 732914157 /nfs/dbraw/zinc/91/41/57/732914157.db2.gz LQXWKHQKFFJZJI-UHFFFAOYSA-N 1 2 353.216 2.708 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880585811 732926887 /nfs/dbraw/zinc/92/68/87/732926887.db2.gz UVKSFRAKYWEXSB-INIZCTEOSA-N 1 2 365.271 2.684 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880585811 732926888 /nfs/dbraw/zinc/92/68/88/732926888.db2.gz UVKSFRAKYWEXSB-INIZCTEOSA-N 1 2 365.271 2.684 20 30 FFEDLO N#CC1(CS(=O)(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CCCC1 ZINC000882837441 733301917 /nfs/dbraw/zinc/30/19/17/733301917.db2.gz HOFXAMQLSFEOGV-KRWDZBQOSA-N 1 2 358.467 2.628 20 30 FFEDLO C#CCCCNC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782520439 738730185 /nfs/dbraw/zinc/73/01/85/738730185.db2.gz PYHSHHRWZIIRHT-NVXWUHKLSA-N 1 2 353.388 2.952 20 30 FFEDLO C#CCCCNC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782520439 738730188 /nfs/dbraw/zinc/73/01/88/738730188.db2.gz PYHSHHRWZIIRHT-NVXWUHKLSA-N 1 2 353.388 2.952 20 30 FFEDLO CCCCCCNC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782947646 738767035 /nfs/dbraw/zinc/76/70/35/738767035.db2.gz FMECKEDZJKUKPC-UHFFFAOYSA-N 1 2 356.264 2.783 20 30 FFEDLO C#CCSCC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000888808372 734100540 /nfs/dbraw/zinc/10/05/40/734100540.db2.gz XJFAYOARPYZLHC-UHFFFAOYSA-N 1 2 353.451 2.628 20 30 FFEDLO COc1ccc2ncc(C#N)c(NCc3nc(C[NH+](C)C)cs3)c2c1 ZINC000895481513 735013049 /nfs/dbraw/zinc/01/30/49/735013049.db2.gz VSNMXJJLOPPPAQ-UHFFFAOYSA-N 1 2 353.451 2.667 20 30 FFEDLO C#CCSCCNC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000740073056 735066838 /nfs/dbraw/zinc/06/68/38/735066838.db2.gz GGTFHOPIMNNILM-UHFFFAOYSA-N 1 2 351.541 2.504 20 30 FFEDLO Cn1nc(Br)cc1CNc1[nH+]cccc1OCCCC#N ZINC000784297475 738876508 /nfs/dbraw/zinc/87/65/08/738876508.db2.gz BGMSVJCZCLZUCY-UHFFFAOYSA-N 1 2 350.220 2.872 20 30 FFEDLO COC(=O)c1cnc([C@H]2CC[N@H+](Cc3cc(C#N)cnc3Cl)C2)s1 ZINC000896971857 735190216 /nfs/dbraw/zinc/19/02/16/735190216.db2.gz XRBIFNNYWAJWFT-NSHDSACASA-N 1 2 362.842 2.839 20 30 FFEDLO COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3cc(C#N)cnc3Cl)C2)s1 ZINC000896971857 735190217 /nfs/dbraw/zinc/19/02/17/735190217.db2.gz XRBIFNNYWAJWFT-NSHDSACASA-N 1 2 362.842 2.839 20 30 FFEDLO CCn1c[nH+]cc1/C=C/C(=O)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000901465357 735782242 /nfs/dbraw/zinc/78/22/42/735782242.db2.gz BMIRGQLKEXZQJP-AATRIKPKSA-N 1 2 370.377 2.804 20 30 FFEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000903263446 736069135 /nfs/dbraw/zinc/06/91/35/736069135.db2.gz NCSMEEYBKFHTBH-VIFPVBQESA-N 1 2 357.407 2.862 20 30 FFEDLO C[C@H]1C[N@@H+](C2CC2)CC1N=Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000755892353 736286581 /nfs/dbraw/zinc/28/65/81/736286581.db2.gz GBBHUCKYCFJSOB-JTQLQIEISA-N 1 2 361.389 2.862 20 30 FFEDLO C[C@H]1C[N@H+](C2CC2)CC1N=Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000755892353 736286585 /nfs/dbraw/zinc/28/65/85/736286585.db2.gz GBBHUCKYCFJSOB-JTQLQIEISA-N 1 2 361.389 2.862 20 30 FFEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920603807 737916888 /nfs/dbraw/zinc/91/68/88/737916888.db2.gz NKRSPYQQFQORGS-UHFFFAOYSA-N 1 2 356.451 2.527 20 30 FFEDLO C=C(Cl)C[NH2+]Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000921755581 738037929 /nfs/dbraw/zinc/03/79/29/738037929.db2.gz CPVQPCZDGKXLLT-ZDUSSCGKSA-N 1 2 355.870 2.692 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2sc(-c3c(C)noc3C)nc2C)C1 ZINC000923557344 738301107 /nfs/dbraw/zinc/30/11/07/738301107.db2.gz MBXYUMGLBHGERS-AWEZNQCLSA-N 1 2 358.467 2.551 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2sc(-c3c(C)noc3C)nc2C)C1 ZINC000923557344 738301111 /nfs/dbraw/zinc/30/11/11/738301111.db2.gz MBXYUMGLBHGERS-AWEZNQCLSA-N 1 2 358.467 2.551 20 30 FFEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000777959716 738335688 /nfs/dbraw/zinc/33/56/88/738335688.db2.gz ZZWPTFGNFHMAHQ-MRXNPFEDSA-N 1 2 366.259 2.682 20 30 FFEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000777959716 738335690 /nfs/dbraw/zinc/33/56/90/738335690.db2.gz ZZWPTFGNFHMAHQ-MRXNPFEDSA-N 1 2 366.259 2.682 20 30 FFEDLO N#Cc1cncc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000929339152 738972363 /nfs/dbraw/zinc/97/23/63/738972363.db2.gz UXLFKRADQXJZCO-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO N#Cc1cncc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000929339152 738972364 /nfs/dbraw/zinc/97/23/64/738972364.db2.gz UXLFKRADQXJZCO-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO Cc1cn2c(nc(C[N@@H+]3CCc4c(CC#N)cccc4C3)cc2=O)s1 ZINC000931332391 739246764 /nfs/dbraw/zinc/24/67/64/739246764.db2.gz FCPFNIYIXORWFV-UHFFFAOYSA-N 1 2 350.447 2.689 20 30 FFEDLO Cc1cn2c(nc(C[N@H+]3CCc4c(CC#N)cccc4C3)cc2=O)s1 ZINC000931332391 739246766 /nfs/dbraw/zinc/24/67/66/739246766.db2.gz FCPFNIYIXORWFV-UHFFFAOYSA-N 1 2 350.447 2.689 20 30 FFEDLO Cc1nn2c(nc3ccccc3c2=O)c1=CNNc1cccc(Cl)[nH+]1 ZINC000793175232 739747814 /nfs/dbraw/zinc/74/78/14/739747814.db2.gz RYWKUKRARSZMTE-UHFFFAOYSA-N 1 2 352.785 2.979 20 30 FFEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000934426465 739787496 /nfs/dbraw/zinc/78/74/96/739787496.db2.gz VMOTVMDECFKWSD-AWEZNQCLSA-N 1 2 350.463 2.892 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cn3ccc(-c4cccs4)n3)C2)nc1 ZINC000793588370 739796458 /nfs/dbraw/zinc/79/64/58/739796458.db2.gz BDHZZGHPNQLNJE-OAHLLOKOSA-N 1 2 351.435 2.989 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cn3ccc(-c4cccs4)n3)C2)nc1 ZINC000793588370 739796463 /nfs/dbraw/zinc/79/64/63/739796463.db2.gz BDHZZGHPNQLNJE-OAHLLOKOSA-N 1 2 351.435 2.989 20 30 FFEDLO Cc1cc(C[N@@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)ccc1C#N ZINC000934790030 739842809 /nfs/dbraw/zinc/84/28/09/739842809.db2.gz UNNLIDJFKWNDQC-HZPDHXFCSA-N 1 2 372.412 2.808 20 30 FFEDLO Cc1cc(C[N@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)ccc1C#N ZINC000934790030 739842814 /nfs/dbraw/zinc/84/28/14/739842814.db2.gz UNNLIDJFKWNDQC-HZPDHXFCSA-N 1 2 372.412 2.808 20 30 FFEDLO COc1ccc(C[C@@H](C)C[N@H+](C)Cn2nc(CC#N)n(C)c2=S)cc1 ZINC000794636747 739913557 /nfs/dbraw/zinc/91/35/57/739913557.db2.gz MCENVFNLVOXBNU-CQSZACIVSA-N 1 2 359.499 2.794 20 30 FFEDLO COc1ccc(C[C@@H](C)C[N@@H+](C)Cn2nc(CC#N)n(C)c2=S)cc1 ZINC000794636747 739913561 /nfs/dbraw/zinc/91/35/61/739913561.db2.gz MCENVFNLVOXBNU-CQSZACIVSA-N 1 2 359.499 2.794 20 30 FFEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000795133566 739971454 /nfs/dbraw/zinc/97/14/54/739971454.db2.gz VTBCZPYRHYKTMR-WFASDCNBSA-N 1 2 364.902 2.703 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cscn2)CC1(C)C ZINC000941092045 740199652 /nfs/dbraw/zinc/19/96/52/740199652.db2.gz AAPUTFGDDHGSNV-BBWFWOEESA-N 1 2 363.527 2.841 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cscn2)CC1(C)C ZINC000941092045 740199653 /nfs/dbraw/zinc/19/96/53/740199653.db2.gz AAPUTFGDDHGSNV-BBWFWOEESA-N 1 2 363.527 2.841 20 30 FFEDLO CCCCCCCS(=O)(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000799766644 740448916 /nfs/dbraw/zinc/44/89/16/740448916.db2.gz PQZKAKTVAQKYGJ-KSZLIROESA-N 1 2 360.564 2.860 20 30 FFEDLO CCCCCCCS(=O)(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000799766644 740448918 /nfs/dbraw/zinc/44/89/18/740448918.db2.gz PQZKAKTVAQKYGJ-KSZLIROESA-N 1 2 360.564 2.860 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000800336195 740513829 /nfs/dbraw/zinc/51/38/29/740513829.db2.gz FTIBEFOHRCWJKH-XHSDSOJGSA-N 1 2 352.475 2.826 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000800336195 740513832 /nfs/dbraw/zinc/51/38/32/740513832.db2.gz FTIBEFOHRCWJKH-XHSDSOJGSA-N 1 2 352.475 2.826 20 30 FFEDLO C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000970444446 740749251 /nfs/dbraw/zinc/74/92/51/740749251.db2.gz HSXMOINVUNZXHF-ZRGWGRIASA-N 1 2 360.885 2.696 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccncc2Cl)C1 ZINC000970572647 740752598 /nfs/dbraw/zinc/75/25/98/740752598.db2.gz XJTYNYXHMCLBLJ-OWQGQXMQSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2csc(C3CC3)n2)C1 ZINC000972372601 740827163 /nfs/dbraw/zinc/82/71/63/740827163.db2.gz GBVPCBNUBRGLAA-ZACQAIPSSA-N 1 2 361.511 2.644 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(C3CC3)n2)C1 ZINC000972372601 740827166 /nfs/dbraw/zinc/82/71/66/740827166.db2.gz GBVPCBNUBRGLAA-ZACQAIPSSA-N 1 2 361.511 2.644 20 30 FFEDLO Cc1nc(C[NH+]2CCC(C(=O)OCc3ccnc(C#N)c3)CC2)cs1 ZINC000805892367 741021297 /nfs/dbraw/zinc/02/12/97/741021297.db2.gz HOJHAIZTUOLKQA-UHFFFAOYSA-N 1 2 356.451 2.674 20 30 FFEDLO CC1=C(C(=O)C=Cc2cc(-n3cc[nH+]c3)cs2)[C@@H](C)N2NN=NC2=N1 ZINC000806560925 741069257 /nfs/dbraw/zinc/06/92/57/741069257.db2.gz RSQXDWYGQMAMEZ-DLRQAJBASA-N 1 2 353.411 2.736 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC000978841444 741096614 /nfs/dbraw/zinc/09/66/14/741096614.db2.gz OBYURQUKLUUWNO-KGOWQWAGSA-N 1 2 359.297 2.581 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC000978841444 741096618 /nfs/dbraw/zinc/09/66/18/741096618.db2.gz OBYURQUKLUUWNO-KGOWQWAGSA-N 1 2 359.297 2.581 20 30 FFEDLO C=CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)C(C)C ZINC000808060765 741182020 /nfs/dbraw/zinc/18/20/20/741182020.db2.gz RABMIYRMZADFJR-SJORKVTESA-N 1 2 363.889 2.624 20 30 FFEDLO C=CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)C(C)C ZINC000808060765 741182021 /nfs/dbraw/zinc/18/20/21/741182021.db2.gz RABMIYRMZADFJR-SJORKVTESA-N 1 2 363.889 2.624 20 30 FFEDLO C#CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000808306358 741209659 /nfs/dbraw/zinc/20/96/59/741209659.db2.gz SEBDPHZOUGJLEO-IAGOWNOFSA-N 1 2 372.893 2.946 20 30 FFEDLO C#CCCS(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000808306358 741209663 /nfs/dbraw/zinc/20/96/63/741209663.db2.gz SEBDPHZOUGJLEO-IAGOWNOFSA-N 1 2 372.893 2.946 20 30 FFEDLO C=CCn1c(=S)n(CN2CCn3c[nH+]cc3C2)nc1-c1cccs1 ZINC000811787059 741558688 /nfs/dbraw/zinc/55/86/88/741558688.db2.gz BDHWWWLQASCEKP-UHFFFAOYSA-N 1 2 358.496 2.998 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C)O3)CCC[C@H]12 ZINC000992252942 741746662 /nfs/dbraw/zinc/74/66/62/741746662.db2.gz VNPRVFWHPAZFCY-HGTKMLMNSA-N 1 2 357.292 2.576 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C)O3)CCC[C@H]12 ZINC000992252942 741746665 /nfs/dbraw/zinc/74/66/65/741746665.db2.gz VNPRVFWHPAZFCY-HGTKMLMNSA-N 1 2 357.292 2.576 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2nc(C)cs2)CC1 ZINC001000696644 742094401 /nfs/dbraw/zinc/09/44/01/742094401.db2.gz QTFAAYUTJHWNCT-SJORKVTESA-N 1 2 361.511 2.681 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2nc(C)cs2)CC1 ZINC001000696644 742094405 /nfs/dbraw/zinc/09/44/05/742094405.db2.gz QTFAAYUTJHWNCT-SJORKVTESA-N 1 2 361.511 2.681 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000819423052 742388798 /nfs/dbraw/zinc/38/87/98/742388798.db2.gz JBRRQUBYLIZJMW-CVEARBPZSA-N 1 2 367.877 2.516 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000819423052 742388803 /nfs/dbraw/zinc/38/88/03/742388803.db2.gz JBRRQUBYLIZJMW-CVEARBPZSA-N 1 2 367.877 2.516 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001014458996 742467100 /nfs/dbraw/zinc/46/71/00/742467100.db2.gz JNPMKXAIWLZHBF-DAYGRLMNSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001014458996 742467103 /nfs/dbraw/zinc/46/71/03/742467103.db2.gz JNPMKXAIWLZHBF-DAYGRLMNSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001015816960 742482353 /nfs/dbraw/zinc/48/23/53/742482353.db2.gz QXDFPAXWNIUNFB-RYRKJORJSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001015816960 742482355 /nfs/dbraw/zinc/48/23/55/742482355.db2.gz QXDFPAXWNIUNFB-RYRKJORJSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001015817223 742482525 /nfs/dbraw/zinc/48/25/25/742482525.db2.gz XXQKQNHWVFZCBR-BQFCYCMXSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001015817223 742482528 /nfs/dbraw/zinc/48/25/28/742482528.db2.gz XXQKQNHWVFZCBR-BQFCYCMXSA-N 1 2 363.889 2.797 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000821482470 742634265 /nfs/dbraw/zinc/63/42/65/742634265.db2.gz TWUKQSDNYCOOPK-GFCCVEGCSA-N 1 2 350.488 2.759 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccncc1Cl ZINC001024661138 742732636 /nfs/dbraw/zinc/73/26/36/742732636.db2.gz ZTBYDQDWECIJIB-NUJGCVRESA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccncc1Cl ZINC001024661138 742732639 /nfs/dbraw/zinc/73/26/39/742732639.db2.gz ZTBYDQDWECIJIB-NUJGCVRESA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2cscn2)C1 ZINC001027609016 742776405 /nfs/dbraw/zinc/77/64/05/742776405.db2.gz YQYMZHKVXOIUJA-BZSNNMDCSA-N 1 2 363.527 2.937 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2cscn2)C1 ZINC001027609016 742776409 /nfs/dbraw/zinc/77/64/09/742776409.db2.gz YQYMZHKVXOIUJA-BZSNNMDCSA-N 1 2 363.527 2.937 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2C/C(Cl)=C\Cl ZINC001049731530 743481629 /nfs/dbraw/zinc/48/16/29/743481629.db2.gz BGQRXJRJFWCUIO-ROGAXXBLSA-N 1 2 359.297 2.962 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C/C(Cl)=C\Cl ZINC001049731530 743481632 /nfs/dbraw/zinc/48/16/32/743481632.db2.gz BGQRXJRJFWCUIO-ROGAXXBLSA-N 1 2 359.297 2.962 20 30 FFEDLO C=CCC[C@@H]([NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)C(=O)OCC ZINC000839128743 746782606 /nfs/dbraw/zinc/78/26/06/746782606.db2.gz YTSZONFLIAXOMY-OAHLLOKOSA-N 1 2 352.475 2.873 20 30 FFEDLO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000843425451 747834377 /nfs/dbraw/zinc/83/43/77/747834377.db2.gz OQKJHNAMZCYPIU-SFHVURJKSA-N 1 2 362.836 2.883 20 30 FFEDLO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000843425451 747834387 /nfs/dbraw/zinc/83/43/87/747834387.db2.gz OQKJHNAMZCYPIU-SFHVURJKSA-N 1 2 362.836 2.883 20 30 FFEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3ccc(F)cc3Cl)C2=O)C1 ZINC000848493227 748940889 /nfs/dbraw/zinc/94/08/89/748940889.db2.gz KNOXJKZSDOPFPG-KZULUSFZSA-N 1 2 363.820 2.549 20 30 FFEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3ccc(F)cc3Cl)C2=O)C1 ZINC000848493227 748940893 /nfs/dbraw/zinc/94/08/93/748940893.db2.gz KNOXJKZSDOPFPG-KZULUSFZSA-N 1 2 363.820 2.549 20 30 FFEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000852751571 749943481 /nfs/dbraw/zinc/94/34/81/749943481.db2.gz AXBXCLQIDOQUPR-UHFFFAOYSA-N 1 2 361.442 2.859 20 30 FFEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000852751571 749943485 /nfs/dbraw/zinc/94/34/85/749943485.db2.gz AXBXCLQIDOQUPR-UHFFFAOYSA-N 1 2 361.442 2.859 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)cc2F)c1 ZINC001095282553 1013078248 /nfs/dbraw/zinc/07/82/48/1013078248.db2.gz ZZGQNXJWQKCVFK-HFTRVMKXSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)cc2F)c1 ZINC001095282553 1013078257 /nfs/dbraw/zinc/07/82/57/1013078257.db2.gz ZZGQNXJWQKCVFK-HFTRVMKXSA-N 1 2 356.376 2.700 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nncs3)CC[C@@H]2C1 ZINC001087978723 971440504 /nfs/dbraw/zinc/44/05/04/971440504.db2.gz PVFLDNCCGPEOTE-OLZOCXBDSA-N 1 2 354.907 2.597 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nncs3)CC[C@@H]2C1 ZINC001087978723 971440508 /nfs/dbraw/zinc/44/05/08/971440508.db2.gz PVFLDNCCGPEOTE-OLZOCXBDSA-N 1 2 354.907 2.597 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cnn(CCC#N)c3C)CC2)s1 ZINC000896493688 971521427 /nfs/dbraw/zinc/52/14/27/971521427.db2.gz LBSXBQRKGTVKKL-UHFFFAOYSA-N 1 2 371.510 2.687 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cnns2)C1 ZINC001112172810 971599658 /nfs/dbraw/zinc/59/96/58/971599658.db2.gz XIBAUFBGPCLPPH-VXGBXAGGSA-N 1 2 362.421 2.619 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2ccn(-c3ccc(F)cc3F)n2)cc1 ZINC000192185934 971682181 /nfs/dbraw/zinc/68/21/81/971682181.db2.gz ICTXDGDWCADULQ-UHFFFAOYSA-N 1 2 358.348 2.996 20 30 FFEDLO CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)Nc1cccc(F)c1C#N ZINC001105280691 971739684 /nfs/dbraw/zinc/73/96/84/971739684.db2.gz ZISXZDQYUKRGJD-HBUWYVDXSA-N 1 2 369.444 2.787 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001059440994 971739838 /nfs/dbraw/zinc/73/98/38/971739838.db2.gz VDJDEWAARLTCKT-VQHPVUNQSA-N 1 2 356.470 2.703 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759897625 971913531 /nfs/dbraw/zinc/91/35/31/971913531.db2.gz ZQUYWKVKPWKQNG-QGZVFWFLSA-N 1 2 350.397 2.730 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759897625 971913538 /nfs/dbraw/zinc/91/35/38/971913538.db2.gz ZQUYWKVKPWKQNG-QGZVFWFLSA-N 1 2 350.397 2.730 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC000974519110 971954621 /nfs/dbraw/zinc/95/46/21/971954621.db2.gz AFLLCIYLZUDFRN-QLVMHMETSA-N 1 2 366.465 2.610 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3csc(COC)n3)CC[C@@H]2C1 ZINC001088066557 972068816 /nfs/dbraw/zinc/06/88/16/972068816.db2.gz PJQHXYDUBSZGOJ-CABCVRRESA-N 1 2 363.527 2.782 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3csc(COC)n3)CC[C@@H]2C1 ZINC001088066557 972068822 /nfs/dbraw/zinc/06/88/22/972068822.db2.gz PJQHXYDUBSZGOJ-CABCVRRESA-N 1 2 363.527 2.782 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3noc(-c4ccoc4)n3)CC[C@@H]2C1 ZINC001088066653 972068917 /nfs/dbraw/zinc/06/89/17/972068917.db2.gz SYMFJQSKGUAPRA-ZBFHGGJFSA-N 1 2 370.453 2.822 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3noc(-c4ccoc4)n3)CC[C@@H]2C1 ZINC001088066653 972068922 /nfs/dbraw/zinc/06/89/22/972068922.db2.gz SYMFJQSKGUAPRA-ZBFHGGJFSA-N 1 2 370.453 2.822 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)no1 ZINC001029508679 972378458 /nfs/dbraw/zinc/37/84/58/972378458.db2.gz OLIATIRXQZJYKQ-NBMJBFSESA-N 1 2 359.470 2.530 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)no1 ZINC001029508679 972378463 /nfs/dbraw/zinc/37/84/63/972378463.db2.gz OLIATIRXQZJYKQ-NBMJBFSESA-N 1 2 359.470 2.530 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCO[C@H](C(F)F)CC2)cc1 ZINC000872269520 1013193559 /nfs/dbraw/zinc/19/35/59/1013193559.db2.gz SWCQBZANWLSAJV-WBVHZDCISA-N 1 2 365.424 2.986 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCO[C@H](C(F)F)CC2)cc1 ZINC000872269520 1013193568 /nfs/dbraw/zinc/19/35/68/1013193568.db2.gz SWCQBZANWLSAJV-WBVHZDCISA-N 1 2 365.424 2.986 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1Cc1cc(Br)cc(OC(F)(F)F)c1 ZINC001210123163 960704674 /nfs/dbraw/zinc/70/46/74/960704674.db2.gz ZPSFUASYEZQBPL-NSHDSACASA-N 1 2 364.165 2.645 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cncc(F)c2)C3)s1 ZINC001095303021 1013198220 /nfs/dbraw/zinc/19/82/20/1013198220.db2.gz UMGNBTUHXZCXCW-COXVUDFISA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cncc(F)c2)C3)s1 ZINC001095303021 1013198226 /nfs/dbraw/zinc/19/82/26/1013198226.db2.gz UMGNBTUHXZCXCW-COXVUDFISA-N 1 2 356.426 2.689 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001275936314 1013211058 /nfs/dbraw/zinc/21/10/58/1013211058.db2.gz NXDAUUCECLEATP-IPELMVKDSA-N 1 2 369.465 2.869 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001275936314 1013211060 /nfs/dbraw/zinc/21/10/60/1013211060.db2.gz NXDAUUCECLEATP-IPELMVKDSA-N 1 2 369.465 2.869 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(Br)c(C)c2)C1=O ZINC001275976873 1013249215 /nfs/dbraw/zinc/24/92/15/1013249215.db2.gz HWSPOYDKLPPRHS-GOSISDBHSA-N 1 2 361.283 2.958 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(Br)c(C)c2)C1=O ZINC001275976873 1013249221 /nfs/dbraw/zinc/24/92/21/1013249221.db2.gz HWSPOYDKLPPRHS-GOSISDBHSA-N 1 2 361.283 2.958 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3cccc(Cl)c3F)C2)OCC1=O ZINC001276065656 1013391430 /nfs/dbraw/zinc/39/14/30/1013391430.db2.gz QQKYFGNQWNOOJM-SFHVURJKSA-N 1 2 352.837 2.859 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3F)C2)OCC1=O ZINC001276065656 1013391443 /nfs/dbraw/zinc/39/14/43/1013391443.db2.gz QQKYFGNQWNOOJM-SFHVURJKSA-N 1 2 352.837 2.859 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1c(F)ccc(C)c1F)C2 ZINC001276085003 1013429445 /nfs/dbraw/zinc/42/94/45/1013429445.db2.gz CUAZIHZSWJENIK-HXUWFJFHSA-N 1 2 364.436 2.900 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c(F)ccc(C)c1F)C2 ZINC001276085003 1013429447 /nfs/dbraw/zinc/42/94/47/1013429447.db2.gz CUAZIHZSWJENIK-HXUWFJFHSA-N 1 2 364.436 2.900 20 30 FFEDLO CC(C)(C)c1cnc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)o1 ZINC001075703495 964315867 /nfs/dbraw/zinc/31/58/67/964315867.db2.gz FMPPTCHBUBSMIJ-XJKSGUPXSA-N 1 2 367.453 2.518 20 30 FFEDLO CC(C)(C)c1cnc(C[N@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)o1 ZINC001075703495 964315879 /nfs/dbraw/zinc/31/58/79/964315879.db2.gz FMPPTCHBUBSMIJ-XJKSGUPXSA-N 1 2 367.453 2.518 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C(F)F)[C@@H]2C1 ZINC001075744407 964839553 /nfs/dbraw/zinc/83/95/53/964839553.db2.gz OILICEJYLWSSFV-OSMBCOQSSA-N 1 2 363.383 2.631 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C(F)F)[C@@H]2C1 ZINC001075744407 964839554 /nfs/dbraw/zinc/83/95/54/964839554.db2.gz OILICEJYLWSSFV-OSMBCOQSSA-N 1 2 363.383 2.631 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccccc2o1 ZINC001111490201 965346494 /nfs/dbraw/zinc/34/64/94/965346494.db2.gz XQTKLYNNROAXQE-ABFRBSLYSA-N 1 2 355.438 2.640 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccccc2o1 ZINC001111490201 965346508 /nfs/dbraw/zinc/34/65/08/965346508.db2.gz XQTKLYNNROAXQE-ABFRBSLYSA-N 1 2 355.438 2.640 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001111490254 965360252 /nfs/dbraw/zinc/36/02/52/965360252.db2.gz ZFNKFTIRMVYGMC-AZFSHXRASA-N 1 2 357.429 2.510 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001111490254 965360271 /nfs/dbraw/zinc/36/02/71/965360271.db2.gz ZFNKFTIRMVYGMC-AZFSHXRASA-N 1 2 357.429 2.510 20 30 FFEDLO C[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000329017585 965765713 /nfs/dbraw/zinc/76/57/13/965765713.db2.gz GTKWAZQKKXHOCI-NPNMTCQASA-N 1 2 373.501 2.697 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3CN(C(=O)C[C@@H](C)n4cc[nH+]c4)C[C@H]32)CC1 ZINC001022605517 965967062 /nfs/dbraw/zinc/96/70/62/965967062.db2.gz QTJWDTQKFDBWHM-NZSAHSFTSA-N 1 2 370.497 2.640 20 30 FFEDLO O=C([C@@H]1CC12CCCC2)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083239864 966155001 /nfs/dbraw/zinc/15/50/01/966155001.db2.gz GCKSSVXXYAPBTM-PCCBWWKXSA-N 1 2 364.489 2.530 20 30 FFEDLO O=C([C@@H]1CC12CCCC2)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083239864 966155007 /nfs/dbraw/zinc/15/50/07/966155007.db2.gz GCKSSVXXYAPBTM-PCCBWWKXSA-N 1 2 364.489 2.530 20 30 FFEDLO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc(CC(C)(C)C)s3)[C@H]2C1 ZINC001083242487 966298175 /nfs/dbraw/zinc/29/81/75/966298175.db2.gz KYDBXARJKZJNOI-LSDHHAIUSA-N 1 2 363.527 2.833 20 30 FFEDLO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cnc(CC(C)(C)C)s3)[C@H]2C1 ZINC001083242487 966298185 /nfs/dbraw/zinc/29/81/85/966298185.db2.gz KYDBXARJKZJNOI-LSDHHAIUSA-N 1 2 363.527 2.833 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C)on2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087495756 967064973 /nfs/dbraw/zinc/06/49/73/967064973.db2.gz VMCJKRVCUUXAOC-FUHWJXTLSA-N 1 2 356.401 2.777 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C)on2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087495756 967064980 /nfs/dbraw/zinc/06/49/80/967064980.db2.gz VMCJKRVCUUXAOC-FUHWJXTLSA-N 1 2 356.401 2.777 20 30 FFEDLO Cc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@H]32)cc1 ZINC001083257288 967421081 /nfs/dbraw/zinc/42/10/81/967421081.db2.gz RRQGTOZMPSZOOS-RBUKOAKNSA-N 1 2 367.474 2.654 20 30 FFEDLO Cc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@@H]32)cc1 ZINC001083257288 967421086 /nfs/dbraw/zinc/42/10/86/967421086.db2.gz RRQGTOZMPSZOOS-RBUKOAKNSA-N 1 2 367.474 2.654 20 30 FFEDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000329376448 967669213 /nfs/dbraw/zinc/66/92/13/967669213.db2.gz LJVBNBDZWZWCPV-SFHVURJKSA-N 1 2 371.481 2.755 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029344293 967774845 /nfs/dbraw/zinc/77/48/45/967774845.db2.gz NCSCFNPTNCYOGJ-CGXNFDGLSA-N 1 2 352.478 2.528 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029344293 967774852 /nfs/dbraw/zinc/77/48/52/967774852.db2.gz NCSCFNPTNCYOGJ-CGXNFDGLSA-N 1 2 352.478 2.528 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cc(C)sn2)[C@H]1CC ZINC001087554399 968115127 /nfs/dbraw/zinc/11/51/27/968115127.db2.gz FHXRSVPGTYYFPJ-WCQYABFASA-N 1 2 358.305 2.943 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)sn2)[C@H]1CC ZINC001087554399 968115129 /nfs/dbraw/zinc/11/51/29/968115129.db2.gz FHXRSVPGTYYFPJ-WCQYABFASA-N 1 2 358.305 2.943 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001111482457 968184082 /nfs/dbraw/zinc/18/40/82/968184082.db2.gz LCNWUJBWZKFACB-QRQLOZEOSA-N 1 2 357.429 2.512 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001111482457 968184089 /nfs/dbraw/zinc/18/40/89/968184089.db2.gz LCNWUJBWZKFACB-QRQLOZEOSA-N 1 2 357.429 2.512 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cnc(Cl)s2)[C@@H]1CC ZINC001087729465 968776668 /nfs/dbraw/zinc/77/66/68/968776668.db2.gz DQWAMBUTOCOKMA-BARDWOONSA-N 1 2 369.918 2.857 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnc(Cl)s2)[C@@H]1CC ZINC001087729465 968776675 /nfs/dbraw/zinc/77/66/75/968776675.db2.gz DQWAMBUTOCOKMA-BARDWOONSA-N 1 2 369.918 2.857 20 30 FFEDLO C=CCCC1(CNC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCCC1 ZINC000658580137 968860489 /nfs/dbraw/zinc/86/04/89/968860489.db2.gz LBUONZGQDWGMQS-UHFFFAOYSA-N 1 2 358.486 2.759 20 30 FFEDLO C=CCCC1(CNC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCCC1 ZINC000658580137 968860497 /nfs/dbraw/zinc/86/04/97/968860497.db2.gz LBUONZGQDWGMQS-UHFFFAOYSA-N 1 2 358.486 2.759 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(F)cc3)[C@@H]2C1 ZINC001075487855 969014425 /nfs/dbraw/zinc/01/44/25/969014425.db2.gz ONGANSLBNAKNER-DZGCQCFKSA-N 1 2 353.235 2.881 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(F)cc3)[C@@H]2C1 ZINC001075487855 969014435 /nfs/dbraw/zinc/01/44/35/969014435.db2.gz ONGANSLBNAKNER-DZGCQCFKSA-N 1 2 353.235 2.881 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2oncc2C)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001087781218 969036496 /nfs/dbraw/zinc/03/64/96/969036496.db2.gz XMGLGAPREWQQQG-DLBZAZTESA-N 1 2 356.401 2.777 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2oncc2C)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001087781218 969036502 /nfs/dbraw/zinc/03/65/02/969036502.db2.gz XMGLGAPREWQQQG-DLBZAZTESA-N 1 2 356.401 2.777 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C)on2)[C@@H]1CC ZINC001087791120 969081084 /nfs/dbraw/zinc/08/10/84/969081084.db2.gz WVTWMKUQLKXCHG-DLBZAZTESA-N 1 2 370.453 2.726 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)on2)[C@@H]1CC ZINC001087791120 969081095 /nfs/dbraw/zinc/08/10/95/969081095.db2.gz WVTWMKUQLKXCHG-DLBZAZTESA-N 1 2 370.453 2.726 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(-n4ccnc4)nc3)CC2)c(F)c1 ZINC000177273614 969155603 /nfs/dbraw/zinc/15/56/03/969155603.db2.gz NUIIOMHPJQEZOM-UHFFFAOYSA-N 1 2 362.412 2.600 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)Cc2csc(-c3ccc(OC)cc3)n2)CC1 ZINC001177143387 1013857004 /nfs/dbraw/zinc/85/70/04/1013857004.db2.gz OWQXLZCJMSQQLC-UHFFFAOYSA-N 1 2 357.479 2.691 20 30 FFEDLO CC(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)NCC#N)cc1 ZINC001267512083 969215648 /nfs/dbraw/zinc/21/56/48/969215648.db2.gz ACVFJRVGGJRJCY-KZNAEPCWSA-N 1 2 351.454 2.607 20 30 FFEDLO CC(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)NCC#N)cc1 ZINC001267512083 969215656 /nfs/dbraw/zinc/21/56/56/969215656.db2.gz ACVFJRVGGJRJCY-KZNAEPCWSA-N 1 2 351.454 2.607 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ncoc1C(C)C ZINC001024661281 969236206 /nfs/dbraw/zinc/23/62/06/969236206.db2.gz BPVIPJRHDBESBB-NUJGCVRESA-N 1 2 361.486 2.860 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ncoc1C(C)C ZINC001024661281 969236214 /nfs/dbraw/zinc/23/62/14/969236214.db2.gz BPVIPJRHDBESBB-NUJGCVRESA-N 1 2 361.486 2.860 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccn(C(C)C)n1 ZINC001024661674 969237161 /nfs/dbraw/zinc/23/71/61/969237161.db2.gz LEVHILBRYKMXQZ-QRVBRYPASA-N 1 2 360.502 2.526 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccn(C(C)C)n1 ZINC001024661674 969237170 /nfs/dbraw/zinc/23/71/70/969237170.db2.gz LEVHILBRYKMXQZ-QRVBRYPASA-N 1 2 360.502 2.526 20 30 FFEDLO CCN(Cc1cccc(F)c1)C(=O)CO[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000177563353 969271827 /nfs/dbraw/zinc/27/18/27/969271827.db2.gz KRBLJGJXVQGYSW-UHFFFAOYSA-N 1 2 373.428 2.714 20 30 FFEDLO C=CCCO[C@H](C)C(=O)NC1C[NH+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001267639635 970374967 /nfs/dbraw/zinc/37/49/67/970374967.db2.gz NFHAXKDBVOABCZ-JLSDUUJJSA-N 1 2 364.436 2.817 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C4CC4)o3)CC[C@@H]2C1 ZINC001088093356 972731446 /nfs/dbraw/zinc/73/14/46/972731446.db2.gz UAVGHHUCYLDUHP-GQIGUUNPSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C4CC4)o3)CC[C@@H]2C1 ZINC001088093356 972731451 /nfs/dbraw/zinc/73/14/51/972731451.db2.gz UAVGHHUCYLDUHP-GQIGUUNPSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](Cc4cn(C(C)(C)C)nn4)CC[C@@H]3C2)C1 ZINC001088098371 972781172 /nfs/dbraw/zinc/78/11/72/972781172.db2.gz GLVZUHQBXYPTBP-SJORKVTESA-N 1 2 371.529 2.670 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](Cc4cn(C(C)(C)C)nn4)CC[C@@H]3C2)C1 ZINC001088098371 972781184 /nfs/dbraw/zinc/78/11/84/972781184.db2.gz GLVZUHQBXYPTBP-SJORKVTESA-N 1 2 371.529 2.670 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc(C)oc1C ZINC000960928148 1014109243 /nfs/dbraw/zinc/10/92/43/1014109243.db2.gz ORQPYXZJTYOLDQ-LNLFQRSKSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc(C)oc1C ZINC000960928148 1014109245 /nfs/dbraw/zinc/10/92/45/1014109245.db2.gz ORQPYXZJTYOLDQ-LNLFQRSKSA-N 1 2 361.486 2.695 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)c4ccc(Cl)cc4)C3)C2)cc1C#N ZINC001271576028 973885823 /nfs/dbraw/zinc/88/58/23/973885823.db2.gz NICGTQKKCQOFFI-UHFFFAOYSA-N 1 2 354.841 2.508 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccccc1F)[C@@H](C)COC ZINC000661241622 973973432 /nfs/dbraw/zinc/97/34/32/973973432.db2.gz CVTKCEGEYHUQIY-HNNXBMFYSA-N 1 2 360.433 2.781 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccccc1F)[C@@H](C)COC ZINC000661241622 973973442 /nfs/dbraw/zinc/97/34/42/973973442.db2.gz CVTKCEGEYHUQIY-HNNXBMFYSA-N 1 2 360.433 2.781 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2nocc2C)CC1(C)C ZINC000977287051 974731323 /nfs/dbraw/zinc/73/13/23/974731323.db2.gz AUCYWLXKLBDUCP-JQHSSLGASA-N 1 2 361.486 2.681 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nocc2C)CC1(C)C ZINC000977287051 974731328 /nfs/dbraw/zinc/73/13/28/974731328.db2.gz AUCYWLXKLBDUCP-JQHSSLGASA-N 1 2 361.486 2.681 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cn(C)cn2)C1 ZINC001087425361 975338950 /nfs/dbraw/zinc/33/89/50/975338950.db2.gz RDTNVUQQFGMKBA-IAGOWNOFSA-N 1 2 358.873 2.761 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cn(C)cn2)C1 ZINC001087425361 975338957 /nfs/dbraw/zinc/33/89/57/975338957.db2.gz RDTNVUQQFGMKBA-IAGOWNOFSA-N 1 2 358.873 2.761 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)nc1 ZINC000728857237 975504358 /nfs/dbraw/zinc/50/43/58/975504358.db2.gz LGGDAGQWKGQJOJ-UHFFFAOYSA-N 1 2 369.852 2.553 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)[C@]3(C)C=CCC3)[C@H]2C)c1 ZINC001088800328 976387446 /nfs/dbraw/zinc/38/74/46/976387446.db2.gz ZHQPWDPDDVJVET-GTCCEBARSA-N 1 2 365.477 2.542 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)[C@]3(C)C=CCC3)[C@H]2C)c1 ZINC001088800328 976387459 /nfs/dbraw/zinc/38/74/59/976387459.db2.gz ZHQPWDPDDVJVET-GTCCEBARSA-N 1 2 365.477 2.542 20 30 FFEDLO C=CCOCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC001481589574 976837301 /nfs/dbraw/zinc/83/73/01/976837301.db2.gz AMYSXZRVJMADMI-LEWJYISDSA-N 1 2 350.462 2.946 20 30 FFEDLO CCC(=CC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC)CC ZINC001212122806 976839185 /nfs/dbraw/zinc/83/91/85/976839185.db2.gz RMJOMWGMWYHNIX-RTBURBONSA-N 1 2 359.445 2.759 20 30 FFEDLO CCC(=CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC)CC ZINC001212122806 976839191 /nfs/dbraw/zinc/83/91/91/976839191.db2.gz RMJOMWGMWYHNIX-RTBURBONSA-N 1 2 359.445 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1nc(C)c(C)o1 ZINC001028188907 977069227 /nfs/dbraw/zinc/06/92/27/977069227.db2.gz MJUFUVOJXQGFMU-LNLFQRSKSA-N 1 2 361.486 2.743 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1nc(C)c(C)o1 ZINC001028188907 977069239 /nfs/dbraw/zinc/06/92/39/977069239.db2.gz MJUFUVOJXQGFMU-LNLFQRSKSA-N 1 2 361.486 2.743 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC000982012336 977117749 /nfs/dbraw/zinc/11/77/49/977117749.db2.gz WHEZHUCXSKMCAK-LEWJYISDSA-N 1 2 360.461 2.791 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC000982012336 977117758 /nfs/dbraw/zinc/11/77/58/977117758.db2.gz WHEZHUCXSKMCAK-LEWJYISDSA-N 1 2 360.461 2.791 20 30 FFEDLO Cc1ccc(-c2cnc(C[N@H+]3C[C@@H]4CCN(C(=O)[C@@H](C)C#N)[C@@H]4C3)o2)cc1 ZINC001075615841 977313501 /nfs/dbraw/zinc/31/35/01/977313501.db2.gz ANXZGBFDLOPRQP-RYQLBKOJSA-N 1 2 364.449 2.842 20 30 FFEDLO Cc1ccc(-c2cnc(C[N@@H+]3C[C@@H]4CCN(C(=O)[C@@H](C)C#N)[C@@H]4C3)o2)cc1 ZINC001075615841 977313507 /nfs/dbraw/zinc/31/35/07/977313507.db2.gz ANXZGBFDLOPRQP-RYQLBKOJSA-N 1 2 364.449 2.842 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)on3)C[C@H]21 ZINC001075616494 977324336 /nfs/dbraw/zinc/32/43/36/977324336.db2.gz UUPTWMFQWFQYPY-QILLFSRXSA-N 1 2 350.422 2.534 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)on3)C[C@H]21 ZINC001075616494 977324345 /nfs/dbraw/zinc/32/43/45/977324345.db2.gz UUPTWMFQWFQYPY-QILLFSRXSA-N 1 2 350.422 2.534 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](Cc4c(F)cccc4F)C[C@H]32)c1 ZINC001075658846 978151423 /nfs/dbraw/zinc/15/14/23/978151423.db2.gz WGEHCDDBJYVFEY-SCLBCKFNSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@H+](Cc4c(F)cccc4F)C[C@H]32)c1 ZINC001075658846 978151428 /nfs/dbraw/zinc/15/14/28/978151428.db2.gz WGEHCDDBJYVFEY-SCLBCKFNSA-N 1 2 356.376 2.511 20 30 FFEDLO CC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC001205983223 1032093845 /nfs/dbraw/zinc/09/38/45/1032093845.db2.gz FGKGAWMGEVNCPB-DNVCBOLYSA-N 1 2 360.885 2.887 20 30 FFEDLO CC(=O)CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC001205983223 1032093862 /nfs/dbraw/zinc/09/38/62/1032093862.db2.gz FGKGAWMGEVNCPB-DNVCBOLYSA-N 1 2 360.885 2.887 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C4CC4)no3)[C@@H]2C1 ZINC001076304218 979336156 /nfs/dbraw/zinc/33/61/56/979336156.db2.gz CELBTPICJIGBAF-PKOBYXMFSA-N 1 2 362.433 2.770 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C4CC4)no3)[C@@H]2C1 ZINC001076304218 979336168 /nfs/dbraw/zinc/33/61/68/979336168.db2.gz CELBTPICJIGBAF-PKOBYXMFSA-N 1 2 362.433 2.770 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@]1(CO)CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001271972455 979379368 /nfs/dbraw/zinc/37/93/68/979379368.db2.gz AGOTZTUXNCCRCU-WOIUINJBSA-N 1 2 369.509 2.684 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@]1(CO)CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001271972455 979379379 /nfs/dbraw/zinc/37/93/79/979379379.db2.gz AGOTZTUXNCCRCU-WOIUINJBSA-N 1 2 369.509 2.684 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(F)ccc4F)C[C@H]32)cn1 ZINC001076477041 979558204 /nfs/dbraw/zinc/55/82/04/979558204.db2.gz NDNQCRXFAXTECO-MGPUTAFESA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(F)ccc4F)C[C@H]32)cn1 ZINC001076477041 979558211 /nfs/dbraw/zinc/55/82/11/979558211.db2.gz NDNQCRXFAXTECO-MGPUTAFESA-N 1 2 367.399 2.688 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ccn(CC(F)(F)F)n3)[C@@H]2C)C1 ZINC001088844191 979619016 /nfs/dbraw/zinc/61/90/16/979619016.db2.gz HCPNBDODAPYZOE-HIFRSBDPSA-N 1 2 370.419 2.881 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ccn(CC(F)(F)F)n3)[C@@H]2C)C1 ZINC001088844191 979619019 /nfs/dbraw/zinc/61/90/19/979619019.db2.gz HCPNBDODAPYZOE-HIFRSBDPSA-N 1 2 370.419 2.881 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCCCO2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088517088 980396632 /nfs/dbraw/zinc/39/66/32/980396632.db2.gz WNWWEEYPVTZVLB-CCKFTAQKSA-N 1 2 359.445 2.736 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCCCO2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088517088 980396640 /nfs/dbraw/zinc/39/66/40/980396640.db2.gz WNWWEEYPVTZVLB-CCKFTAQKSA-N 1 2 359.445 2.736 20 30 FFEDLO CN1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877639198 1014656238 /nfs/dbraw/zinc/65/62/38/1014656238.db2.gz DANLGSAGJZOIDL-IBGZPJMESA-N 1 2 369.900 2.512 20 30 FFEDLO C=CCC1(C(=O)N2CCC(n3cc[nH+]c3)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000906469621 980665655 /nfs/dbraw/zinc/66/56/55/980665655.db2.gz HMIPDMUDQVVKDY-UHFFFAOYSA-N 1 2 374.485 2.860 20 30 FFEDLO CC(C)c1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)nn1C ZINC001088560623 981064764 /nfs/dbraw/zinc/06/47/64/981064764.db2.gz AQMVHJDGCUFJRX-QAPCUYQASA-N 1 2 365.481 2.808 20 30 FFEDLO CC(C)c1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)nn1C ZINC001088560623 981064767 /nfs/dbraw/zinc/06/47/67/981064767.db2.gz AQMVHJDGCUFJRX-QAPCUYQASA-N 1 2 365.481 2.808 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001211992734 981411562 /nfs/dbraw/zinc/41/15/62/981411562.db2.gz VMIJFNFWTPBYSN-ZTFGCOKTSA-N 1 2 366.889 2.637 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001211992734 981411565 /nfs/dbraw/zinc/41/15/65/981411565.db2.gz VMIJFNFWTPBYSN-ZTFGCOKTSA-N 1 2 366.889 2.637 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C[C@@H](C)C(C)C ZINC001212016093 981458778 /nfs/dbraw/zinc/45/87/78/981458778.db2.gz YMHGEVOEQMTXKK-NIKGAXFTSA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C[C@@H](C)C(C)C ZINC001212016093 981458782 /nfs/dbraw/zinc/45/87/82/981458782.db2.gz YMHGEVOEQMTXKK-NIKGAXFTSA-N 1 2 361.461 2.695 20 30 FFEDLO C#CCCCc1nnc(N2CC[NH+](Cc3ccco3)CC2)n1CC1CC1 ZINC000910423022 981940796 /nfs/dbraw/zinc/94/07/96/981940796.db2.gz SFGXSQYNOJOVIO-UHFFFAOYSA-N 1 2 353.470 2.559 20 30 FFEDLO Cc1ccncc1CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001088632098 982041904 /nfs/dbraw/zinc/04/19/04/982041904.db2.gz XMEJTOVZPSEBQD-QRWLVFNGSA-N 1 2 366.440 2.723 20 30 FFEDLO Cc1ccncc1CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001088632098 982041914 /nfs/dbraw/zinc/04/19/14/982041914.db2.gz XMEJTOVZPSEBQD-QRWLVFNGSA-N 1 2 366.440 2.723 20 30 FFEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c(-c2cccnc2)n1 ZINC000897591900 982360586 /nfs/dbraw/zinc/36/05/86/982360586.db2.gz QFYKQUOQQAARDY-HXUWFJFHSA-N 1 2 359.433 2.927 20 30 FFEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c(-c2cccnc2)n1 ZINC000897591900 982360596 /nfs/dbraw/zinc/36/05/96/982360596.db2.gz QFYKQUOQQAARDY-HXUWFJFHSA-N 1 2 359.433 2.927 20 30 FFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000668959514 984028222 /nfs/dbraw/zinc/02/82/22/984028222.db2.gz MARGRVKYDFRHTG-SJLPKXTDSA-N 1 2 368.481 2.553 20 30 FFEDLO Nc1[nH+]cccc1CN=Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000764639416 984610425 /nfs/dbraw/zinc/61/04/25/984610425.db2.gz GROZRPJXYUIDHD-UHFFFAOYSA-N 1 2 370.247 2.945 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000761036670 984680379 /nfs/dbraw/zinc/68/03/79/984680379.db2.gz JUYJIPHPQYFRST-YOEHRIQHSA-N 1 2 352.438 2.574 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000761036670 984680381 /nfs/dbraw/zinc/68/03/81/984680381.db2.gz JUYJIPHPQYFRST-YOEHRIQHSA-N 1 2 352.438 2.574 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cc(F)ccc2F)C[C@H]1OC ZINC001212184678 984966701 /nfs/dbraw/zinc/96/67/01/984966701.db2.gz CWAPQXXGQLKQBY-MORSLUCNSA-N 1 2 350.409 2.645 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cc(F)ccc2F)C[C@H]1OC ZINC001212184678 984966706 /nfs/dbraw/zinc/96/67/06/984966706.db2.gz CWAPQXXGQLKQBY-MORSLUCNSA-N 1 2 350.409 2.645 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ccnc(Cl)c3)[C@@H]2C)c1 ZINC001088846222 984976410 /nfs/dbraw/zinc/97/64/10/984976410.db2.gz BQYYQALVBAYYOA-DYVFJYSZSA-N 1 2 354.841 2.504 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccnc(Cl)c3)[C@@H]2C)c1 ZINC001088846222 984976416 /nfs/dbraw/zinc/97/64/16/984976416.db2.gz BQYYQALVBAYYOA-DYVFJYSZSA-N 1 2 354.841 2.504 20 30 FFEDLO O=C(CC1CCCCCC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077747407 985170025 /nfs/dbraw/zinc/17/00/25/985170025.db2.gz BYBJEYSSJYJXBC-NHCUHLMSSA-N 1 2 354.494 2.560 20 30 FFEDLO O=C(CC1CCCCCC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077747407 985170032 /nfs/dbraw/zinc/17/00/32/985170032.db2.gz BYBJEYSSJYJXBC-NHCUHLMSSA-N 1 2 354.494 2.560 20 30 FFEDLO Cc1cn2cc(NC(=O)N3CCN(c4ccc(C#N)cc4)CC3)ccc2[nH+]1 ZINC000878565943 1015106291 /nfs/dbraw/zinc/10/62/91/1015106291.db2.gz WIJALFPAQZOKBT-UHFFFAOYSA-N 1 2 360.421 2.869 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)no2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088892029 985347976 /nfs/dbraw/zinc/34/79/76/985347976.db2.gz CXDAJNJUAOTKFZ-KDOFPFPSSA-N 1 2 367.424 2.935 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)no2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088892029 985347984 /nfs/dbraw/zinc/34/79/84/985347984.db2.gz CXDAJNJUAOTKFZ-KDOFPFPSSA-N 1 2 367.424 2.935 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2noc3ccc(F)cc23)[C@H]1C ZINC001088914929 985440123 /nfs/dbraw/zinc/44/01/23/985440123.db2.gz ZKRDKHUXDBYJFY-RISCZKNCSA-N 1 2 351.809 2.841 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2noc3ccc(F)cc23)[C@H]1C ZINC001088914929 985440128 /nfs/dbraw/zinc/44/01/28/985440128.db2.gz ZKRDKHUXDBYJFY-RISCZKNCSA-N 1 2 351.809 2.841 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)ccn1 ZINC001088932370 985497001 /nfs/dbraw/zinc/49/70/01/985497001.db2.gz YZMIZPDVWCPNSW-KUHUBIRLSA-N 1 2 352.413 2.794 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)ccn1 ZINC001088932370 985497007 /nfs/dbraw/zinc/49/70/07/985497007.db2.gz YZMIZPDVWCPNSW-KUHUBIRLSA-N 1 2 352.413 2.794 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088939705 985527037 /nfs/dbraw/zinc/52/70/37/985527037.db2.gz FPWQFDIXLODTAX-KDOFPFPSSA-N 1 2 355.388 2.604 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088939705 985527049 /nfs/dbraw/zinc/52/70/49/985527049.db2.gz FPWQFDIXLODTAX-KDOFPFPSSA-N 1 2 355.388 2.604 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCOC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088942809 985550537 /nfs/dbraw/zinc/55/05/37/985550537.db2.gz HVXSMZOHFSUXJS-BPAFIMBUSA-N 1 2 360.885 2.697 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCOC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088942809 985550541 /nfs/dbraw/zinc/55/05/41/985550541.db2.gz HVXSMZOHFSUXJS-BPAFIMBUSA-N 1 2 360.885 2.697 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)o1 ZINC001088959517 985623129 /nfs/dbraw/zinc/62/31/29/985623129.db2.gz JBYDTLOQZGZBTE-DYVFJYSZSA-N 1 2 370.428 2.949 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)o1 ZINC001088959517 985623135 /nfs/dbraw/zinc/62/31/35/985623135.db2.gz JBYDTLOQZGZBTE-DYVFJYSZSA-N 1 2 370.428 2.949 20 30 FFEDLO C=CCn1c2ccccc2n(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1=S ZINC000172936163 985719201 /nfs/dbraw/zinc/71/92/01/985719201.db2.gz XJZMRAGZFQZUMW-QGZVFWFLSA-N 1 2 372.538 2.970 20 30 FFEDLO C=CCn1c2ccccc2n(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1=S ZINC000172936163 985719211 /nfs/dbraw/zinc/71/92/11/985719211.db2.gz XJZMRAGZFQZUMW-QGZVFWFLSA-N 1 2 372.538 2.970 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cc2cccc(F)c2)[C@H]1C ZINC001089022821 985980001 /nfs/dbraw/zinc/98/00/01/985980001.db2.gz PSIODEHBLPMYNL-DOMZBBRYSA-N 1 2 355.251 2.856 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cc2cccc(F)c2)[C@H]1C ZINC001089022821 985980013 /nfs/dbraw/zinc/98/00/13/985980013.db2.gz PSIODEHBLPMYNL-DOMZBBRYSA-N 1 2 355.251 2.856 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001007357156 1015192301 /nfs/dbraw/zinc/19/23/01/1015192301.db2.gz OAVTYAGPIYLLLU-UFYCRDLUSA-N 1 2 355.482 2.700 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001007357156 1015192306 /nfs/dbraw/zinc/19/23/06/1015192306.db2.gz OAVTYAGPIYLLLU-UFYCRDLUSA-N 1 2 355.482 2.700 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001007361405 1015195365 /nfs/dbraw/zinc/19/53/65/1015195365.db2.gz XPWSWSKEMGEFMY-NUJGCVRESA-N 1 2 361.486 2.860 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001007361405 1015195372 /nfs/dbraw/zinc/19/53/72/1015195372.db2.gz XPWSWSKEMGEFMY-NUJGCVRESA-N 1 2 361.486 2.860 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@]23CCC[C@H]2[N@H+](Cc2cc(F)ccc2C#N)CC3)O1 ZINC000992250927 986570931 /nfs/dbraw/zinc/57/09/31/986570931.db2.gz PNQICXKWDJMWHA-AZVUBCEASA-N 1 2 371.456 2.878 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](Cc2cc(F)ccc2C#N)CC3)O1 ZINC000992250927 986570943 /nfs/dbraw/zinc/57/09/43/986570943.db2.gz PNQICXKWDJMWHA-AZVUBCEASA-N 1 2 371.456 2.878 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C(F)F)c3)C[C@@H]2O)cc1 ZINC001083691519 986714479 /nfs/dbraw/zinc/71/44/79/986714479.db2.gz SGCOBWLMUGXUHP-MOPGFXCFSA-N 1 2 370.399 2.581 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C(F)F)c3)C[C@@H]2O)cc1 ZINC001083691519 986714489 /nfs/dbraw/zinc/71/44/89/986714489.db2.gz SGCOBWLMUGXUHP-MOPGFXCFSA-N 1 2 370.399 2.581 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001007529542 1015291502 /nfs/dbraw/zinc/29/15/02/1015291502.db2.gz LFMMUWDYSVMOHB-AYBZRNKSSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001007529542 1015291509 /nfs/dbraw/zinc/29/15/09/1015291509.db2.gz LFMMUWDYSVMOHB-AYBZRNKSSA-N 1 2 359.445 2.593 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCc2c(cccc2C(N)=O)C1)c1ccccc1 ZINC000879000237 1015317637 /nfs/dbraw/zinc/31/76/37/1015317637.db2.gz PKUUKEHLFHJYSW-QFIPXVFZSA-N 1 2 361.445 2.584 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCc2c(cccc2C(N)=O)C1)c1ccccc1 ZINC000879000237 1015317647 /nfs/dbraw/zinc/31/76/47/1015317647.db2.gz PKUUKEHLFHJYSW-QFIPXVFZSA-N 1 2 361.445 2.584 20 30 FFEDLO C=CCCCCCN(C)C(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000672761323 987580948 /nfs/dbraw/zinc/58/09/48/987580948.db2.gz PXNURIIONQXVMW-UHFFFAOYSA-N 1 2 356.470 2.506 20 30 FFEDLO C[C@@H](Cc1ccco1)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000914728118 987876008 /nfs/dbraw/zinc/87/60/08/987876008.db2.gz FKXOEXHOGCIFPH-ZDUSSCGKSA-N 1 2 350.422 2.870 20 30 FFEDLO C=CCC[C@H](NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000673269624 987960740 /nfs/dbraw/zinc/96/07/40/987960740.db2.gz HDTDIRZUGGXPJU-MOPGFXCFSA-N 1 2 366.465 2.870 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001061267999 988055285 /nfs/dbraw/zinc/05/52/85/988055285.db2.gz LZSZNKWDPGJRGY-KURKYZTESA-N 1 2 370.497 2.681 20 30 FFEDLO C[C@H](CCNc1nc(C#N)c(Cl)s1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001106624282 988519442 /nfs/dbraw/zinc/51/94/42/988519442.db2.gz CECVLQACNVKEEW-OPRDCNLKSA-N 1 2 364.862 2.502 20 30 FFEDLO C[C@H](CCNc1nc(C#N)c(Cl)s1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001106624282 988519446 /nfs/dbraw/zinc/51/94/46/988519446.db2.gz CECVLQACNVKEEW-OPRDCNLKSA-N 1 2 364.862 2.502 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC001061450241 988722686 /nfs/dbraw/zinc/72/26/86/988722686.db2.gz XGWLLKGLSKJGJR-ZACQAIPSSA-N 1 2 358.486 2.585 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001033087669 988769603 /nfs/dbraw/zinc/76/96/03/988769603.db2.gz XZIMQGIGIMCKCQ-SCTDSRPQSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001033087669 988769614 /nfs/dbraw/zinc/76/96/14/988769614.db2.gz XZIMQGIGIMCKCQ-SCTDSRPQSA-N 1 2 364.436 2.979 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)c(F)c1 ZINC001007975247 1015437769 /nfs/dbraw/zinc/43/77/69/1015437769.db2.gz DWCHVXLGXIUJKD-CGBFIWBNSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)c(F)c1 ZINC001007975247 1015437775 /nfs/dbraw/zinc/43/77/75/1015437775.db2.gz DWCHVXLGXIUJKD-CGBFIWBNSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1cccc(OCC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000916444232 989793264 /nfs/dbraw/zinc/79/32/64/989793264.db2.gz MZHSRLRBSYLQHW-UHFFFAOYSA-N 1 2 350.422 2.639 20 30 FFEDLO C[C@@H](CCCCNc1ncc(C#N)cc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001090168734 989837676 /nfs/dbraw/zinc/83/76/76/989837676.db2.gz IPHMEUOVLDZCMM-NWANDNLSSA-N 1 2 370.432 2.706 20 30 FFEDLO C[C@@H](CCCCNc1ncc(C#N)cc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001090168734 989837684 /nfs/dbraw/zinc/83/76/84/989837684.db2.gz IPHMEUOVLDZCMM-NWANDNLSSA-N 1 2 370.432 2.706 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3C[C@H]3CC)C2)c1 ZINC001034405720 990047548 /nfs/dbraw/zinc/04/75/48/990047548.db2.gz HCLFRPZABSDVCM-YZGWKJHDSA-N 1 2 367.493 2.623 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3C[C@H]3CC)C2)c1 ZINC001034405720 990047549 /nfs/dbraw/zinc/04/75/49/990047549.db2.gz HCLFRPZABSDVCM-YZGWKJHDSA-N 1 2 367.493 2.623 20 30 FFEDLO C#CC[N@@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCc2ccccc21 ZINC000917117803 990142196 /nfs/dbraw/zinc/14/21/96/990142196.db2.gz PWRYVIZCAYZXGS-LJQANCHMSA-N 1 2 360.417 2.830 20 30 FFEDLO C#CC[N@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCc2ccccc21 ZINC000917117803 990142199 /nfs/dbraw/zinc/14/21/99/990142199.db2.gz PWRYVIZCAYZXGS-LJQANCHMSA-N 1 2 360.417 2.830 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1n1ccnn1 ZINC001129188787 990489380 /nfs/dbraw/zinc/48/93/80/990489380.db2.gz ASTCGBPIITUAQD-IPELMVKDSA-N 1 2 371.460 2.561 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1n1ccnn1 ZINC001129188787 990489383 /nfs/dbraw/zinc/48/93/83/990489383.db2.gz ASTCGBPIITUAQD-IPELMVKDSA-N 1 2 371.460 2.561 20 30 FFEDLO COc1ccc(C[NH2+]Cc2noc3c2COCC3)cc1OCCCC#N ZINC000923014455 990793106 /nfs/dbraw/zinc/79/31/06/990793106.db2.gz BUIGOLZJZGHIIT-UHFFFAOYSA-N 1 2 357.410 2.728 20 30 FFEDLO N#CCCc1ccc(S(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000920604406 990879858 /nfs/dbraw/zinc/87/98/58/990879858.db2.gz SWPZPCLEGXAIHJ-UHFFFAOYSA-N 1 2 370.478 2.803 20 30 FFEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920614111 990884025 /nfs/dbraw/zinc/88/40/25/990884025.db2.gz FRMRDPBSXGAJEC-UHFFFAOYSA-N 1 2 374.441 2.666 20 30 FFEDLO C=C(C)COCCNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000134988450 991132557 /nfs/dbraw/zinc/13/25/57/991132557.db2.gz JZDWTXPUSUIADJ-OAHLLOKOSA-N 1 2 367.440 2.821 20 30 FFEDLO C=C(C)COCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000134988450 991132562 /nfs/dbraw/zinc/13/25/62/991132562.db2.gz JZDWTXPUSUIADJ-OAHLLOKOSA-N 1 2 367.440 2.821 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNc1nc(C)[nH+]c2c1CCCC2 ZINC001063562418 991511721 /nfs/dbraw/zinc/51/17/21/991511721.db2.gz CMNACVFZSAIGQT-SUMDDJOVSA-N 1 2 370.497 2.658 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1NC(=O)C(F)F ZINC001079332047 992003224 /nfs/dbraw/zinc/00/32/24/992003224.db2.gz ZBPQNNLWOAFHPZ-BXUZGUMPSA-N 1 2 360.326 2.759 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1NC(=O)C(F)F ZINC001079332047 992003235 /nfs/dbraw/zinc/00/32/35/992003235.db2.gz ZBPQNNLWOAFHPZ-BXUZGUMPSA-N 1 2 360.326 2.759 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCCC(F)(F)F)cc1C#N ZINC001273197353 992184128 /nfs/dbraw/zinc/18/41/28/992184128.db2.gz QCZDCYXHYDOLKE-GASCZTMLSA-N 1 2 368.403 2.805 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCCC(F)(F)F)cc1C#N ZINC001273197353 992184132 /nfs/dbraw/zinc/18/41/32/992184132.db2.gz QCZDCYXHYDOLKE-GASCZTMLSA-N 1 2 368.403 2.805 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC001032048100 992789852 /nfs/dbraw/zinc/78/98/52/992789852.db2.gz UQJGMSWGIQZDAE-QOKNQOGYSA-N 1 2 369.465 2.918 20 30 FFEDLO Cc1cc(C)c(C(=O)NC[C@]23CCC[C@H]2N(C(=O)[C@@H](C)C#N)CC3)c(C)[nH+]1 ZINC000995363147 993054524 /nfs/dbraw/zinc/05/45/24/993054524.db2.gz CUUBDWJXUDABDU-AVBTWRTFSA-N 1 2 368.481 2.668 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)c(C)o2)C[C@H]1C ZINC001080583797 993190794 /nfs/dbraw/zinc/19/07/94/993190794.db2.gz WSYCBKPQLLVEFU-TWILYEHCSA-N 1 2 361.486 2.599 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2nc(C)c(C)o2)C[C@H]1C ZINC001080583797 993190799 /nfs/dbraw/zinc/19/07/99/993190799.db2.gz WSYCBKPQLLVEFU-TWILYEHCSA-N 1 2 361.486 2.599 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@]1(C)CCOC1 ZINC001080674723 993265553 /nfs/dbraw/zinc/26/55/53/993265553.db2.gz PFSGWNMVFGCEPQ-XFQXTVEOSA-N 1 2 360.885 2.555 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@]1(C)CCOC1 ZINC001080674723 993265557 /nfs/dbraw/zinc/26/55/57/993265557.db2.gz PFSGWNMVFGCEPQ-XFQXTVEOSA-N 1 2 360.885 2.555 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nnc(C)s2)C[C@H]1C ZINC001080851655 993413881 /nfs/dbraw/zinc/41/38/81/993413881.db2.gz UACRHYVXGXOILT-HBUWYVDXSA-N 1 2 368.506 2.568 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nnc(C)s2)C[C@H]1C ZINC001080851655 993413884 /nfs/dbraw/zinc/41/38/84/993413884.db2.gz UACRHYVXGXOILT-HBUWYVDXSA-N 1 2 368.506 2.568 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(NC(C)=O)c(F)c2)C1 ZINC001081050990 993592246 /nfs/dbraw/zinc/59/22/46/993592246.db2.gz GPLILNFOCUGVBP-QLJPJBMISA-N 1 2 353.825 2.587 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(NC(C)=O)c(F)c2)C1 ZINC001081050990 993592257 /nfs/dbraw/zinc/59/22/57/993592257.db2.gz GPLILNFOCUGVBP-QLJPJBMISA-N 1 2 353.825 2.587 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001081697271 993947966 /nfs/dbraw/zinc/94/79/66/993947966.db2.gz ZUOKQGLMXSASAA-MTQWCTHYSA-N 1 2 369.509 2.946 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001081697271 993947973 /nfs/dbraw/zinc/94/79/73/993947973.db2.gz ZUOKQGLMXSASAA-MTQWCTHYSA-N 1 2 369.509 2.946 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C1(C2CC2)CCC1 ZINC001081989183 994086309 /nfs/dbraw/zinc/08/63/09/994086309.db2.gz FPSPGVZPFXDDEO-RTBURBONSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C1(C2CC2)CCC1 ZINC001081989183 994086320 /nfs/dbraw/zinc/08/63/20/994086320.db2.gz FPSPGVZPFXDDEO-RTBURBONSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[C@@H]1CC=CCC1 ZINC001082028891 994125842 /nfs/dbraw/zinc/12/58/42/994125842.db2.gz AFCCWVISZUORPU-HMXCVIKNSA-N 1 2 370.468 2.739 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[C@@H]1CC=CCC1 ZINC001082028891 994125849 /nfs/dbraw/zinc/12/58/49/994125849.db2.gz AFCCWVISZUORPU-HMXCVIKNSA-N 1 2 370.468 2.739 20 30 FFEDLO C=Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2OC)cc1 ZINC001082162863 994238210 /nfs/dbraw/zinc/23/82/10/994238210.db2.gz ZMRAUKHMRQCLES-FGZHOGPDSA-N 1 2 360.457 2.810 20 30 FFEDLO C=Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2OC)cc1 ZINC001082162863 994238218 /nfs/dbraw/zinc/23/82/18/994238218.db2.gz ZMRAUKHMRQCLES-FGZHOGPDSA-N 1 2 360.457 2.810 20 30 FFEDLO CCc1cc(C)c(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2OC)o1 ZINC001082327848 994368150 /nfs/dbraw/zinc/36/81/50/994368150.db2.gz RZIMUGDLYZGBRW-RTBURBONSA-N 1 2 367.449 2.651 20 30 FFEDLO CCc1cc(C)c(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2OC)o1 ZINC001082327848 994368163 /nfs/dbraw/zinc/36/81/63/994368163.db2.gz RZIMUGDLYZGBRW-RTBURBONSA-N 1 2 367.449 2.651 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CC2CCC1CC2 ZINC001082386770 994504567 /nfs/dbraw/zinc/50/45/67/994504567.db2.gz VXTFNILQFXXNBN-PQKHKBRISA-N 1 2 367.493 2.700 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CC2CCC1CC2 ZINC001082386770 994504614 /nfs/dbraw/zinc/50/46/14/994504614.db2.gz VXTFNILQFXXNBN-PQKHKBRISA-N 1 2 367.493 2.700 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C4CC4)n[nH]2)C3)s1 ZINC001097908006 1015882754 /nfs/dbraw/zinc/88/27/54/1015882754.db2.gz OQILGOZBNKWZQL-NJAPINKUSA-N 1 2 367.478 2.756 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C4CC4)n[nH]2)C3)s1 ZINC001097908006 1015882770 /nfs/dbraw/zinc/88/27/70/1015882770.db2.gz OQILGOZBNKWZQL-NJAPINKUSA-N 1 2 367.478 2.756 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1CC)CO2 ZINC001053906943 1015904507 /nfs/dbraw/zinc/90/45/07/1015904507.db2.gz KRQPDMSFIROWOD-YZGWKJHDSA-N 1 2 354.494 2.888 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)CO2 ZINC001053918372 1015905621 /nfs/dbraw/zinc/90/56/21/1015905621.db2.gz KYYGFLGJIPKMBE-RBSFLKMASA-N 1 2 362.420 2.604 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1COC2(C[NH+](Cc3ccccc3)C2)C1 ZINC001053951667 1015914241 /nfs/dbraw/zinc/91/42/41/1015914241.db2.gz CGSCEVTVAKOVCG-AABGKKOBSA-N 1 2 370.493 2.517 20 30 FFEDLO N#Cc1cccc(OCCOC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000811326589 995104953 /nfs/dbraw/zinc/10/49/53/995104953.db2.gz RCIHOMMGPVDOCD-UHFFFAOYSA-N 1 2 361.401 2.968 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC001082681936 995268187 /nfs/dbraw/zinc/26/81/87/995268187.db2.gz FXKZRVMFFMXABK-UKRRQHHQSA-N 1 2 358.442 2.868 20 30 FFEDLO C#C[C@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000812795107 995540782 /nfs/dbraw/zinc/54/07/82/995540782.db2.gz LSGIMIBBXLHDKF-INIZCTEOSA-N 1 2 372.352 2.750 20 30 FFEDLO C#CC[N@@H+](CCCCCn1c(C)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000812829390 995546123 /nfs/dbraw/zinc/54/61/23/995546123.db2.gz BEGPEVSPQXXCKI-SFHVURJKSA-N 1 2 373.522 2.637 20 30 FFEDLO C#CC[N@H+](CCCCCn1c(C)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000812829390 995546130 /nfs/dbraw/zinc/54/61/30/995546130.db2.gz BEGPEVSPQXXCKI-SFHVURJKSA-N 1 2 373.522 2.637 20 30 FFEDLO N#CCOc1ccc(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000727845133 995986323 /nfs/dbraw/zinc/98/63/23/995986323.db2.gz BFIZASRAGOAXLT-UHFFFAOYSA-N 1 2 370.478 2.678 20 30 FFEDLO CC(C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21)=C1CCC1 ZINC001083078475 996071771 /nfs/dbraw/zinc/07/17/71/996071771.db2.gz FAUUVWKILKKARB-VQTJNVASSA-N 1 2 369.440 2.609 20 30 FFEDLO CC(C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21)=C1CCC1 ZINC001083078475 996071776 /nfs/dbraw/zinc/07/17/76/996071776.db2.gz FAUUVWKILKKARB-VQTJNVASSA-N 1 2 369.440 2.609 20 30 FFEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@@H+]([C@H](C)c4cnc(C)cn4)C[C@@H]32)CC1 ZINC001083183968 996173388 /nfs/dbraw/zinc/17/33/88/996173388.db2.gz HTGWTYLKYRECKN-LSTHTHJFSA-N 1 2 370.497 2.504 20 30 FFEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@H+]([C@H](C)c4cnc(C)cn4)C[C@@H]32)CC1 ZINC001083183968 996173391 /nfs/dbraw/zinc/17/33/91/996173391.db2.gz HTGWTYLKYRECKN-LSTHTHJFSA-N 1 2 370.497 2.504 20 30 FFEDLO CC(F)(F)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084149698 996279711 /nfs/dbraw/zinc/27/97/11/996279711.db2.gz WKKNQASKZIYBNP-GDBMZVCRSA-N 1 2 352.812 2.879 20 30 FFEDLO CC(F)(F)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084149698 996279718 /nfs/dbraw/zinc/27/97/18/996279718.db2.gz WKKNQASKZIYBNP-GDBMZVCRSA-N 1 2 352.812 2.879 20 30 FFEDLO CCc1ocnc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084247144 996352285 /nfs/dbraw/zinc/35/22/85/996352285.db2.gz YNFQPWNVWQTAKF-NVXWUHKLSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1ocnc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084247144 996352292 /nfs/dbraw/zinc/35/22/92/996352292.db2.gz YNFQPWNVWQTAKF-NVXWUHKLSA-N 1 2 368.412 2.594 20 30 FFEDLO Cc1nc(C)c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)o1 ZINC001084252027 996357395 /nfs/dbraw/zinc/35/73/95/996357395.db2.gz COSVCEGNBAIEAB-CZUORRHYSA-N 1 2 356.451 2.571 20 30 FFEDLO Cc1nc(C)c(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)o1 ZINC001084252027 996357399 /nfs/dbraw/zinc/35/73/99/996357399.db2.gz COSVCEGNBAIEAB-CZUORRHYSA-N 1 2 356.451 2.571 20 30 FFEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@H]21 ZINC001084232975 996381950 /nfs/dbraw/zinc/38/19/50/996381950.db2.gz OQKZQEYFPFLAQQ-FRFSOERESA-N 1 2 368.412 2.673 20 30 FFEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@H]21 ZINC001084232975 996381962 /nfs/dbraw/zinc/38/19/62/996381962.db2.gz OQKZQEYFPFLAQQ-FRFSOERESA-N 1 2 368.412 2.673 20 30 FFEDLO Cc1ccccc1-c1cnc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)[C@@H]3C2)o1 ZINC001084232779 996382827 /nfs/dbraw/zinc/38/28/27/996382827.db2.gz ICINBCRYDLCKIE-JFIYKMOQSA-N 1 2 364.449 2.842 20 30 FFEDLO Cc1ccccc1-c1cnc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)[C@@H]3C2)o1 ZINC001084232779 996382834 /nfs/dbraw/zinc/38/28/34/996382834.db2.gz ICINBCRYDLCKIE-JFIYKMOQSA-N 1 2 364.449 2.842 20 30 FFEDLO Cc1nscc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084292727 996397593 /nfs/dbraw/zinc/39/75/93/996397593.db2.gz MPSVWHBAMVUARN-RDTXWAMCSA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1nscc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084292727 996397599 /nfs/dbraw/zinc/39/75/99/996397599.db2.gz MPSVWHBAMVUARN-RDTXWAMCSA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1nscc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084293706 996398998 /nfs/dbraw/zinc/39/89/98/996398998.db2.gz SJTAPUZEFGJPDV-CRAIPNDOSA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1nscc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084293706 996399004 /nfs/dbraw/zinc/39/90/04/996399004.db2.gz SJTAPUZEFGJPDV-CRAIPNDOSA-N 1 2 370.453 2.809 20 30 FFEDLO O=C(c1ccc(F)cn1)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084295828 996401668 /nfs/dbraw/zinc/40/16/68/996401668.db2.gz NBGMTCLMSNRUAD-OXQOHEQNSA-N 1 2 367.399 2.558 20 30 FFEDLO O=C(c1ccc(F)cn1)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084295828 996401670 /nfs/dbraw/zinc/40/16/70/996401670.db2.gz NBGMTCLMSNRUAD-OXQOHEQNSA-N 1 2 367.399 2.558 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Oc3ccccc3F)[C@@H]2C1 ZINC001084366365 996492343 /nfs/dbraw/zinc/49/23/43/996492343.db2.gz LOQNQCQHQWXWND-SQWLQELKSA-N 1 2 352.837 2.878 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Oc3ccccc3F)[C@@H]2C1 ZINC001084366365 996492349 /nfs/dbraw/zinc/49/23/49/996492349.db2.gz LOQNQCQHQWXWND-SQWLQELKSA-N 1 2 352.837 2.878 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3snnc3C)C[C@H]21 ZINC001084372361 996497652 /nfs/dbraw/zinc/49/76/52/996497652.db2.gz RIMGDERXJVQLQL-CHWSQXEVSA-N 1 2 354.907 2.658 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3snnc3C)C[C@H]21 ZINC001084372361 996497654 /nfs/dbraw/zinc/49/76/54/996497654.db2.gz RIMGDERXJVQLQL-CHWSQXEVSA-N 1 2 354.907 2.658 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3COc4ccccc4O3)[C@@H]2C1 ZINC001084376319 996501424 /nfs/dbraw/zinc/50/14/24/996501424.db2.gz VHXQQBYRJIIUOU-BZUAXINKSA-N 1 2 362.857 2.502 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3COc4ccccc4O3)[C@@H]2C1 ZINC001084376319 996501431 /nfs/dbraw/zinc/50/14/31/996501431.db2.gz VHXQQBYRJIIUOU-BZUAXINKSA-N 1 2 362.857 2.502 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCN(C)c4ccccc43)[C@@H]2C1 ZINC001084417710 996516965 /nfs/dbraw/zinc/51/69/65/996516965.db2.gz AQOQLKTWIAKWEU-HHXXYDBFSA-N 1 2 359.901 2.895 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCN(C)c4ccccc43)[C@@H]2C1 ZINC001084417710 996516969 /nfs/dbraw/zinc/51/69/69/996516969.db2.gz AQOQLKTWIAKWEU-HHXXYDBFSA-N 1 2 359.901 2.895 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3cncc(F)c3)C[C@H]21 ZINC001084409373 996554463 /nfs/dbraw/zinc/55/44/63/996554463.db2.gz UUKBCYWUIPHFTJ-VQIMIIECSA-N 1 2 354.429 2.555 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[N@H+](Cc3cncc(F)c3)C[C@H]21 ZINC001084409373 996554467 /nfs/dbraw/zinc/55/44/67/996554467.db2.gz UUKBCYWUIPHFTJ-VQIMIIECSA-N 1 2 354.429 2.555 20 30 FFEDLO Cc1cc(C)c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)[nH]1 ZINC001084457517 996568544 /nfs/dbraw/zinc/56/85/44/996568544.db2.gz RYMHGFDGLVWMBM-IEBWSBKVSA-N 1 2 366.440 2.989 20 30 FFEDLO Cc1cc(C)c(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)[nH]1 ZINC001084457517 996568548 /nfs/dbraw/zinc/56/85/48/996568548.db2.gz RYMHGFDGLVWMBM-IEBWSBKVSA-N 1 2 366.440 2.989 20 30 FFEDLO Cc1noc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)c1C ZINC001084436540 996588567 /nfs/dbraw/zinc/58/85/67/996588567.db2.gz INPIFDCNCSNQPT-CRAIPNDOSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1noc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)c1C ZINC001084436540 996588570 /nfs/dbraw/zinc/58/85/70/996588570.db2.gz INPIFDCNCSNQPT-CRAIPNDOSA-N 1 2 368.412 2.649 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4nc(C)n(C)c4c3)[C@@H]2C1 ZINC001084571125 996684230 /nfs/dbraw/zinc/68/42/30/996684230.db2.gz GUBVOIFANFHFQV-CRAIPNDOSA-N 1 2 358.873 2.781 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4nc(C)n(C)c4c3)[C@@H]2C1 ZINC001084571125 996684232 /nfs/dbraw/zinc/68/42/32/996684232.db2.gz GUBVOIFANFHFQV-CRAIPNDOSA-N 1 2 358.873 2.781 20 30 FFEDLO Cc1cocc1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084583988 996697172 /nfs/dbraw/zinc/69/71/72/996697172.db2.gz FEZYKWOBIZGCGC-DNVCBOLYSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1cocc1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084583988 996697175 /nfs/dbraw/zinc/69/71/75/996697175.db2.gz FEZYKWOBIZGCGC-DNVCBOLYSA-N 1 2 353.397 2.945 20 30 FFEDLO CC(C)C[C@H](C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1)n1cc[nH+]c1 ZINC000824395465 996929126 /nfs/dbraw/zinc/92/91/26/996929126.db2.gz JAMKONBJCPUPKG-XLIONFOSSA-N 1 2 351.454 2.949 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000730276053 997053294 /nfs/dbraw/zinc/05/32/94/997053294.db2.gz FUDUGULSJXOBGE-FQEVSTJZSA-N 1 2 352.478 2.822 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000730276053 997053306 /nfs/dbraw/zinc/05/33/06/997053306.db2.gz FUDUGULSJXOBGE-FQEVSTJZSA-N 1 2 352.478 2.822 20 30 FFEDLO Cc1cccn2c(CN3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)c[nH+]c12 ZINC001136965552 997150590 /nfs/dbraw/zinc/15/05/90/997150590.db2.gz TXZCQMWWBAXJAM-OAHLLOKOSA-N 1 2 355.442 2.588 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]nc3C3CC3)[C@@H]2C1 ZINC001084753420 997205942 /nfs/dbraw/zinc/20/59/42/997205942.db2.gz KQOMABGCYNBMQU-IEBWSBKVSA-N 1 2 361.449 2.505 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]nc3C3CC3)[C@@H]2C1 ZINC001084753420 997205954 /nfs/dbraw/zinc/20/59/54/997205954.db2.gz KQOMABGCYNBMQU-IEBWSBKVSA-N 1 2 361.449 2.505 20 30 FFEDLO CC(C)c1ncncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001096559823 1016111940 /nfs/dbraw/zinc/11/19/40/1016111940.db2.gz KMPHYXMXTYKEHV-GIVPXCGWSA-N 1 2 374.488 2.987 20 30 FFEDLO CC(C)c1ncncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001096559823 1016111944 /nfs/dbraw/zinc/11/19/44/1016111944.db2.gz KMPHYXMXTYKEHV-GIVPXCGWSA-N 1 2 374.488 2.987 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)cc4F)C[C@H]32)nc1 ZINC001084783510 997353905 /nfs/dbraw/zinc/35/39/05/997353905.db2.gz UYNJYTKSFGHPNY-OXQOHEQNSA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)cc4F)C[C@H]32)nc1 ZINC001084783510 997353916 /nfs/dbraw/zinc/35/39/16/997353916.db2.gz UYNJYTKSFGHPNY-OXQOHEQNSA-N 1 2 367.399 2.688 20 30 FFEDLO C=CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1c1ccc(OC)cc1 ZINC001090872346 997541626 /nfs/dbraw/zinc/54/16/26/997541626.db2.gz KUXFDAAXYPDQAU-RRFJBIMHSA-N 1 2 360.351 2.666 20 30 FFEDLO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1c1ccc(OC)cc1 ZINC001090872346 997541640 /nfs/dbraw/zinc/54/16/40/997541640.db2.gz KUXFDAAXYPDQAU-RRFJBIMHSA-N 1 2 360.351 2.666 20 30 FFEDLO C[C@H]1CCc2ccccc2N1C(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844367307 997839717 /nfs/dbraw/zinc/83/97/17/997839717.db2.gz SXDWVNWLKZXQAY-HRAATJIYSA-N 1 2 363.461 2.891 20 30 FFEDLO C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844367307 997839726 /nfs/dbraw/zinc/83/97/26/997839726.db2.gz SXDWVNWLKZXQAY-HRAATJIYSA-N 1 2 363.461 2.891 20 30 FFEDLO Cc1c(C[NH+]2CCN(c3nccnc3C#N)CC2)cccc1C(F)(F)F ZINC001143930357 997866571 /nfs/dbraw/zinc/86/65/71/997866571.db2.gz NKSRJUSWQPYCBZ-UHFFFAOYSA-N 1 2 361.371 2.998 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@H]2OC)CC1 ZINC001090941544 997889511 /nfs/dbraw/zinc/88/95/11/997889511.db2.gz WLUSEKYDPRNJHZ-IAGOWNOFSA-N 1 2 370.497 2.729 20 30 FFEDLO N#Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](C/C(Cl)=C\Cl)[C@H]3C2)c[nH]1 ZINC001084925584 998114338 /nfs/dbraw/zinc/11/43/38/998114338.db2.gz IRDSWGYDWTZZGJ-RSKNOSGTSA-N 1 2 353.253 2.742 20 30 FFEDLO N#Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](C/C(Cl)=C\Cl)[C@H]3C2)c[nH]1 ZINC001084925584 998114343 /nfs/dbraw/zinc/11/43/43/998114343.db2.gz IRDSWGYDWTZZGJ-RSKNOSGTSA-N 1 2 353.253 2.742 20 30 FFEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2cc3ccccc3nc2OCCC)CC1 ZINC000731687496 998124559 /nfs/dbraw/zinc/12/45/59/998124559.db2.gz RRRYNDLMSNRXKW-KTKRTIGZSA-N 1 2 363.461 2.814 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C[C@@H]21 ZINC001084945784 998262568 /nfs/dbraw/zinc/26/25/68/998262568.db2.gz SDFFECUJCLHGLC-KCXAZCMYSA-N 1 2 369.362 2.881 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C[C@@H]21 ZINC001084945784 998262580 /nfs/dbraw/zinc/26/25/80/998262580.db2.gz SDFFECUJCLHGLC-KCXAZCMYSA-N 1 2 369.362 2.881 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)o3)[C@H]2C1 ZINC001084948793 998270045 /nfs/dbraw/zinc/27/00/45/998270045.db2.gz CRJDKPYGYZLHSN-KGLIPLIRSA-N 1 2 352.866 2.580 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)o3)[C@H]2C1 ZINC001084948793 998270056 /nfs/dbraw/zinc/27/00/56/998270056.db2.gz CRJDKPYGYZLHSN-KGLIPLIRSA-N 1 2 352.866 2.580 20 30 FFEDLO C[C@H]1CN(c2ccccc2C=[NH+]Nc2ccccc2S(C)(=O)=O)CCO1 ZINC000731933741 998359925 /nfs/dbraw/zinc/35/99/25/998359925.db2.gz QZYYARNUPDMRAP-HNNXBMFYSA-N 1 2 373.478 2.761 20 30 FFEDLO C=CCOc1ccccc1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccon3)[C@H]2C1 ZINC001084974309 998463749 /nfs/dbraw/zinc/46/37/49/998463749.db2.gz OKTOEJNTJLYESP-APWZRJJASA-N 1 2 367.449 2.976 20 30 FFEDLO C=CCOc1ccccc1C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccon3)[C@H]2C1 ZINC001084974309 998463750 /nfs/dbraw/zinc/46/37/50/998463750.db2.gz OKTOEJNTJLYESP-APWZRJJASA-N 1 2 367.449 2.976 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000732123522 998472207 /nfs/dbraw/zinc/47/22/07/998472207.db2.gz FMXALJOPXJUBBF-KRWDZBQOSA-N 1 2 357.454 2.747 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000732123522 998472214 /nfs/dbraw/zinc/47/22/14/998472214.db2.gz FMXALJOPXJUBBF-KRWDZBQOSA-N 1 2 357.454 2.747 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3CCC)[C@H]2C1 ZINC001085004832 998651096 /nfs/dbraw/zinc/65/10/96/998651096.db2.gz MXTLXOJEVVIQKH-SJORKVTESA-N 1 2 359.518 2.713 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3CCC)[C@H]2C1 ZINC001085004832 998651100 /nfs/dbraw/zinc/65/11/00/998651100.db2.gz MXTLXOJEVVIQKH-SJORKVTESA-N 1 2 359.518 2.713 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc4n3CCCCC4)[C@H]2C1 ZINC001085006242 998659351 /nfs/dbraw/zinc/65/93/51/998659351.db2.gz IKZXDOYXQTXCRE-SJORKVTESA-N 1 2 371.529 2.640 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc4n3CCCCC4)[C@H]2C1 ZINC001085006242 998659353 /nfs/dbraw/zinc/65/93/53/998659353.db2.gz IKZXDOYXQTXCRE-SJORKVTESA-N 1 2 371.529 2.640 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nc(CC)no4)[C@H]3C2)CC1 ZINC001085023716 998700444 /nfs/dbraw/zinc/70/04/44/998700444.db2.gz RFTWSBZKLXENJF-WBVHZDCISA-N 1 2 358.486 2.801 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4nc(CC)no4)[C@H]3C2)CC1 ZINC001085023716 998700445 /nfs/dbraw/zinc/70/04/45/998700445.db2.gz RFTWSBZKLXENJF-WBVHZDCISA-N 1 2 358.486 2.801 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cscn3)[C@H]2C1 ZINC001085054998 998789664 /nfs/dbraw/zinc/78/96/64/998789664.db2.gz IJQGTIFSPMZBSU-UBDQQSCGSA-N 1 2 361.511 2.547 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cscn3)[C@H]2C1 ZINC001085054998 998789670 /nfs/dbraw/zinc/78/96/70/998789670.db2.gz IJQGTIFSPMZBSU-UBDQQSCGSA-N 1 2 361.511 2.547 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1coc(C)n1 ZINC001049776976 1016259145 /nfs/dbraw/zinc/25/91/45/1016259145.db2.gz FVWHEQAIJYTVRD-MANSERQUSA-N 1 2 359.470 2.530 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1coc(C)n1 ZINC001049776976 1016259155 /nfs/dbraw/zinc/25/91/55/1016259155.db2.gz FVWHEQAIJYTVRD-MANSERQUSA-N 1 2 359.470 2.530 20 30 FFEDLO Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C#N)ccc2F)c1C ZINC001085154340 999037825 /nfs/dbraw/zinc/03/78/25/999037825.db2.gz OPUQAXTYUWKKGX-QZTJIDSGSA-N 1 2 369.444 2.868 20 30 FFEDLO Cc1ccc2[nH+]cc(CN3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)n2c1 ZINC001137310452 1016279770 /nfs/dbraw/zinc/27/97/70/1016279770.db2.gz YNAAAQCNQWMDTF-OAHLLOKOSA-N 1 2 355.442 2.588 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001065333512 999107784 /nfs/dbraw/zinc/10/77/84/999107784.db2.gz FRTJKRIQZHQCDR-GQIGUUNPSA-N 1 2 358.486 2.585 20 30 FFEDLO Cc1nsc(NC[C@]2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1C#N ZINC001065508109 999117082 /nfs/dbraw/zinc/11/70/82/999117082.db2.gz BFTORGGKPAOVBE-VFVRVIDISA-N 1 2 370.482 2.501 20 30 FFEDLO Cc1nsc(NC[C@]2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1C#N ZINC001065508109 999117083 /nfs/dbraw/zinc/11/70/83/999117083.db2.gz BFTORGGKPAOVBE-VFVRVIDISA-N 1 2 370.482 2.501 20 30 FFEDLO CC(=NNC(=S)Nc1cccnc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735609578 999455312 /nfs/dbraw/zinc/45/53/12/999455312.db2.gz BTQKSVLJBDZXOR-GOSISDBHSA-N 1 2 369.494 2.645 20 30 FFEDLO CC(=NNC(=S)Nc1cccnc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735609578 999455315 /nfs/dbraw/zinc/45/53/15/999455315.db2.gz BTQKSVLJBDZXOR-GOSISDBHSA-N 1 2 369.494 2.645 20 30 FFEDLO N#Cc1cc(F)ccc1COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741386161 999726021 /nfs/dbraw/zinc/72/60/21/999726021.db2.gz VGYVVTMOFNDESU-LJQANCHMSA-N 1 2 354.381 2.642 20 30 FFEDLO N#Cc1cc(F)ccc1COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741386161 999726022 /nfs/dbraw/zinc/72/60/22/999726022.db2.gz VGYVVTMOFNDESU-LJQANCHMSA-N 1 2 354.381 2.642 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CCC1 ZINC001066506917 999868643 /nfs/dbraw/zinc/86/86/43/999868643.db2.gz MVSICYWHGKPEMU-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CCC1 ZINC001066506917 999868644 /nfs/dbraw/zinc/86/86/44/999868644.db2.gz MVSICYWHGKPEMU-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C#CCN(C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000744812007 999874541 /nfs/dbraw/zinc/87/45/41/999874541.db2.gz AYLHBWMNFBXSCE-OAQYLSRUSA-N 1 2 369.509 2.865 20 30 FFEDLO C#CCN(C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000744812007 999874543 /nfs/dbraw/zinc/87/45/43/999874543.db2.gz AYLHBWMNFBXSCE-OAQYLSRUSA-N 1 2 369.509 2.865 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[C@H]2CCCO2)C3)c(F)c1 ZINC001108965778 1000142192 /nfs/dbraw/zinc/14/21/92/1000142192.db2.gz JQHARZLPUYHTGA-JYBIWHBTSA-N 1 2 371.456 2.878 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[C@H]2CCCO2)C3)c(F)c1 ZINC001108965778 1000142193 /nfs/dbraw/zinc/14/21/93/1000142193.db2.gz JQHARZLPUYHTGA-JYBIWHBTSA-N 1 2 371.456 2.878 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(C)cc1C ZINC001109206423 1000186394 /nfs/dbraw/zinc/18/63/94/1000186394.db2.gz OQNFTHOYPJDLIR-HOJAQTOUSA-N 1 2 367.493 2.767 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(C)cc1C ZINC001109206423 1000186396 /nfs/dbraw/zinc/18/63/96/1000186396.db2.gz OQNFTHOYPJDLIR-HOJAQTOUSA-N 1 2 367.493 2.767 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(CC)cc1 ZINC001109208367 1000186641 /nfs/dbraw/zinc/18/66/41/1000186641.db2.gz LDGXIIYOOQCWMC-AABGKKOBSA-N 1 2 367.493 2.713 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(CC)cc1 ZINC001109208367 1000186644 /nfs/dbraw/zinc/18/66/44/1000186644.db2.gz LDGXIIYOOQCWMC-AABGKKOBSA-N 1 2 367.493 2.713 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(C)c(C)c1 ZINC001109208455 1000186946 /nfs/dbraw/zinc/18/69/46/1000186946.db2.gz OLYIZRHREUDQCD-AABGKKOBSA-N 1 2 367.493 2.767 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(C)c(C)c1 ZINC001109208455 1000186947 /nfs/dbraw/zinc/18/69/47/1000186947.db2.gz OLYIZRHREUDQCD-AABGKKOBSA-N 1 2 367.493 2.767 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)c(OC)c(F)c1 ZINC001109208921 1000187206 /nfs/dbraw/zinc/18/72/06/1000187206.db2.gz GPMPLAMZBYZAEH-JLSDUUJJSA-N 1 2 362.420 2.998 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)c(OC)c(F)c1 ZINC001109208921 1000187208 /nfs/dbraw/zinc/18/72/08/1000187208.db2.gz GPMPLAMZBYZAEH-JLSDUUJJSA-N 1 2 362.420 2.998 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(O)ccc1Cl ZINC001109213890 1000188910 /nfs/dbraw/zinc/18/89/10/1000188910.db2.gz VTJZDWMEQXCBCK-JYYRGQEPSA-N 1 2 364.873 2.594 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(O)ccc1Cl ZINC001109213890 1000188912 /nfs/dbraw/zinc/18/89/12/1000188912.db2.gz VTJZDWMEQXCBCK-JYYRGQEPSA-N 1 2 364.873 2.594 20 30 FFEDLO C[C@H]([C@H](C)NC(=O)c1c(Cl)cc(C#N)cc1Cl)[NH+]1CCOCC1 ZINC001144781852 1000276001 /nfs/dbraw/zinc/27/60/01/1000276001.db2.gz VPNXWXFJBFAAAO-WDEREUQCSA-N 1 2 356.253 2.704 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)c1ccco1 ZINC001109353112 1000297692 /nfs/dbraw/zinc/29/76/92/1000297692.db2.gz JGQDIJBJVGRZIR-YVSFHVDLSA-N 1 2 359.470 2.535 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)c1ccco1 ZINC001109353112 1000297696 /nfs/dbraw/zinc/29/76/96/1000297696.db2.gz JGQDIJBJVGRZIR-YVSFHVDLSA-N 1 2 359.470 2.535 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001091281768 1000366610 /nfs/dbraw/zinc/36/66/10/1000366610.db2.gz PCRZKNHNKVKXNU-USXIJHARSA-N 1 2 356.470 2.540 20 30 FFEDLO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)c(C2CC2)n1 ZINC001095478022 1016410468 /nfs/dbraw/zinc/41/04/68/1016410468.db2.gz GTTUDEVDKLLGNS-GIVPXCGWSA-N 1 2 374.488 2.684 20 30 FFEDLO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)c(C2CC2)n1 ZINC001095478022 1016410476 /nfs/dbraw/zinc/41/04/76/1016410476.db2.gz GTTUDEVDKLLGNS-GIVPXCGWSA-N 1 2 374.488 2.684 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)occ1C(F)(F)F)C2 ZINC001109534603 1000615071 /nfs/dbraw/zinc/61/50/71/1000615071.db2.gz JUEISCVIBJNUNN-SNPRPXQTSA-N 1 2 370.371 2.592 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)occ1C(F)(F)F)C2 ZINC001109534603 1000615075 /nfs/dbraw/zinc/61/50/75/1000615075.db2.gz JUEISCVIBJNUNN-SNPRPXQTSA-N 1 2 370.371 2.592 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001109562889 1000647115 /nfs/dbraw/zinc/64/71/15/1000647115.db2.gz CKDITKFGUQHKTD-DOADOZAASA-N 1 2 361.461 2.671 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001109562889 1000647119 /nfs/dbraw/zinc/64/71/19/1000647119.db2.gz CKDITKFGUQHKTD-DOADOZAASA-N 1 2 361.461 2.671 20 30 FFEDLO Cc1nc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001096677619 1016431145 /nfs/dbraw/zinc/43/11/45/1016431145.db2.gz QYBLRUSBWKBBEI-SQNIBIBYSA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1nc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001096677619 1016431151 /nfs/dbraw/zinc/43/11/51/1016431151.db2.gz QYBLRUSBWKBBEI-SQNIBIBYSA-N 1 2 368.868 2.758 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)C1CCC1 ZINC001109573172 1000661244 /nfs/dbraw/zinc/66/12/44/1000661244.db2.gz BKCIOKKQEUOZGK-ANULTFPQSA-N 1 2 370.468 2.714 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)C1CCC1 ZINC001109573172 1000661247 /nfs/dbraw/zinc/66/12/47/1000661247.db2.gz BKCIOKKQEUOZGK-ANULTFPQSA-N 1 2 370.468 2.714 20 30 FFEDLO CCC[C@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109592407 1000689730 /nfs/dbraw/zinc/68/97/30/1000689730.db2.gz RBHPLJVPTRIABO-BVBHFADKSA-N 1 2 359.445 2.734 20 30 FFEDLO CCC[C@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109592407 1000689734 /nfs/dbraw/zinc/68/97/34/1000689734.db2.gz RBHPLJVPTRIABO-BVBHFADKSA-N 1 2 359.445 2.734 20 30 FFEDLO C[C@]12CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]1C[N@H+](C/C(Cl)=C\Cl)C2 ZINC001091574325 1000700085 /nfs/dbraw/zinc/70/00/85/1000700085.db2.gz DQNVKGPYNHSWRE-DTDMVDFZSA-N 1 2 353.253 2.599 20 30 FFEDLO C[C@]12CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]1C[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001091574325 1000700090 /nfs/dbraw/zinc/70/00/90/1000700090.db2.gz DQNVKGPYNHSWRE-DTDMVDFZSA-N 1 2 353.253 2.599 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)C(C)C ZINC001109597212 1000703001 /nfs/dbraw/zinc/70/30/01/1000703001.db2.gz DJJCJGICLNGNDQ-IKGGRYGDSA-N 1 2 370.559 2.524 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)C(C)C ZINC001109597212 1000703009 /nfs/dbraw/zinc/70/30/09/1000703009.db2.gz DJJCJGICLNGNDQ-IKGGRYGDSA-N 1 2 370.559 2.524 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)CCC)CCC1 ZINC001109680337 1000833257 /nfs/dbraw/zinc/83/32/57/1000833257.db2.gz DOAUYFVBUHYTHR-BDXSIMOUSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)CCC)CCC1 ZINC001109680337 1000833263 /nfs/dbraw/zinc/83/32/63/1000833263.db2.gz DOAUYFVBUHYTHR-BDXSIMOUSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CC[C@@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001091626618 1000869327 /nfs/dbraw/zinc/86/93/27/1000869327.db2.gz LRMOHYCEYXWSLN-YESZJQIVSA-N 1 2 371.529 2.764 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CC[C@@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001091626618 1000869332 /nfs/dbraw/zinc/86/93/32/1000869332.db2.gz LRMOHYCEYXWSLN-YESZJQIVSA-N 1 2 371.529 2.764 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091630642 1000890323 /nfs/dbraw/zinc/89/03/23/1000890323.db2.gz WSEDERIYUXRGRW-LSDHHAIUSA-N 1 2 360.506 2.545 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1cccc2[nH+]ccn21 ZINC000770925425 1000955892 /nfs/dbraw/zinc/95/58/92/1000955892.db2.gz NDKNTXZDPOGEBG-UHFFFAOYSA-N 1 2 351.410 2.737 20 30 FFEDLO C=CCOCC(=O)N1CC[C@@H](C)C[C@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001091677413 1001031132 /nfs/dbraw/zinc/03/11/32/1001031132.db2.gz WXUAJSMKTWISJA-PBHICJAKSA-N 1 2 358.486 2.904 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC001091689429 1001085362 /nfs/dbraw/zinc/08/53/62/1001085362.db2.gz DJWBJZDCRXKGPQ-CABCVRRESA-N 1 2 356.474 2.759 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1CC ZINC001091774138 1001798494 /nfs/dbraw/zinc/79/84/94/1001798494.db2.gz XCFFLFUAYVPHGV-YRNRMSPPSA-N 1 2 360.502 2.709 20 30 FFEDLO COCC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110123751 1001840579 /nfs/dbraw/zinc/84/05/79/1001840579.db2.gz ONBJLWLESGDKPK-OLQIXAPSSA-N 1 2 359.445 2.591 20 30 FFEDLO COCC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110123751 1001840586 /nfs/dbraw/zinc/84/05/86/1001840586.db2.gz ONBJLWLESGDKPK-OLQIXAPSSA-N 1 2 359.445 2.591 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(F)c3cccnc23)n1 ZINC000789324599 1002045752 /nfs/dbraw/zinc/04/57/52/1002045752.db2.gz PVLIJTKHAKTBON-UHFFFAOYSA-N 1 2 352.413 2.852 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(F)c3cccnc23)n1 ZINC000789324599 1002045765 /nfs/dbraw/zinc/04/57/65/1002045765.db2.gz PVLIJTKHAKTBON-UHFFFAOYSA-N 1 2 352.413 2.852 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(C(=O)N3CCCC3)cc2)n1 ZINC000789329111 1002047000 /nfs/dbraw/zinc/04/70/00/1002047000.db2.gz JNFHNERQJJXQEF-UHFFFAOYSA-N 1 2 350.466 2.774 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(C(=O)N3CCCC3)cc2)n1 ZINC000789329111 1002047014 /nfs/dbraw/zinc/04/70/14/1002047014.db2.gz JNFHNERQJJXQEF-UHFFFAOYSA-N 1 2 350.466 2.774 20 30 FFEDLO C=CCSCC(=O)N1CCC2(C[NH+](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC001273478760 1002134296 /nfs/dbraw/zinc/13/42/96/1002134296.db2.gz SOBVGNRHQXJOFQ-UHFFFAOYSA-N 1 2 370.522 2.907 20 30 FFEDLO Cc1nc(N2CC[C@H](NC(=O)CC#Cc3ccccc3)[C@H]2C)c(C)c(C)[nH+]1 ZINC001091973046 1002229112 /nfs/dbraw/zinc/22/91/12/1002229112.db2.gz DSTLVXPWCQJSBI-XLIONFOSSA-N 1 2 362.477 2.927 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccnn2CC)C1 ZINC001086585159 1002332156 /nfs/dbraw/zinc/33/21/56/1002332156.db2.gz INRVXVNIKQUTLS-DLBZAZTESA-N 1 2 358.873 2.853 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccnn2CC)C1 ZINC001086585159 1002332167 /nfs/dbraw/zinc/33/21/67/1002332167.db2.gz INRVXVNIKQUTLS-DLBZAZTESA-N 1 2 358.873 2.853 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](CCO)C1 ZINC001183831086 1002403192 /nfs/dbraw/zinc/40/31/92/1002403192.db2.gz LJVBKMZJKCPQTH-YLJYHZDGSA-N 1 2 355.482 2.534 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](CCO)C1 ZINC001183831086 1002403195 /nfs/dbraw/zinc/40/31/95/1002403195.db2.gz LJVBKMZJKCPQTH-YLJYHZDGSA-N 1 2 355.482 2.534 20 30 FFEDLO COc1cc(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)sn1 ZINC001183991578 1002470031 /nfs/dbraw/zinc/47/00/31/1002470031.db2.gz LPJWMUITNFLKOR-UHFFFAOYSA-N 1 2 368.466 2.956 20 30 FFEDLO COc1cc(C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)sn1 ZINC001183991578 1002470036 /nfs/dbraw/zinc/47/00/36/1002470036.db2.gz LPJWMUITNFLKOR-UHFFFAOYSA-N 1 2 368.466 2.956 20 30 FFEDLO C=C(CC(=O)OCCCC)C(=O)N1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001184308894 1002554270 /nfs/dbraw/zinc/55/42/70/1002554270.db2.gz QVGDZHJWSYHQMZ-UHFFFAOYSA-N 1 2 359.470 2.745 20 30 FFEDLO CC(C)N(C(=O)C[NH+]1CCN(c2ccc(C#N)nc2)CC1)c1ccccc1 ZINC000791047777 1002559942 /nfs/dbraw/zinc/55/99/42/1002559942.db2.gz DQQZTZQITLGHRK-UHFFFAOYSA-N 1 2 363.465 2.517 20 30 FFEDLO C[C@H](C(=O)Nc1n[nH]c(-c2cccc(C#N)c2)n1)[N@@H+]1CCc2ccccc2C1 ZINC001184471366 1002628448 /nfs/dbraw/zinc/62/84/48/1002628448.db2.gz RWXQSWDRUNWCIR-CQSZACIVSA-N 1 2 372.432 2.729 20 30 FFEDLO C[C@H](C(=O)Nc1n[nH]c(-c2cccc(C#N)c2)n1)[N@H+]1CCc2ccccc2C1 ZINC001184471366 1002628459 /nfs/dbraw/zinc/62/84/59/1002628459.db2.gz RWXQSWDRUNWCIR-CQSZACIVSA-N 1 2 372.432 2.729 20 30 FFEDLO Cc1[nH+]c[nH]c1CSCCNC(=O)c1cc(Cl)c(C#N)c(Cl)n1 ZINC001184813589 1002727367 /nfs/dbraw/zinc/72/73/67/1002727367.db2.gz RQWAKIBDWVRRSG-UHFFFAOYSA-N 1 2 370.265 2.955 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(F)nc2)C3)ccc1F ZINC001096877016 1016666484 /nfs/dbraw/zinc/66/64/84/1016666484.db2.gz GIRHSXOONRXFIN-NXHRZFHOSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(F)nc2)C3)ccc1F ZINC001096877016 1016666490 /nfs/dbraw/zinc/66/64/90/1016666490.db2.gz GIRHSXOONRXFIN-NXHRZFHOSA-N 1 2 368.387 2.767 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)c2cncnc2)C1 ZINC001086604860 1002888494 /nfs/dbraw/zinc/88/84/94/1002888494.db2.gz YUHPOENKCJTJOM-ZYSHUDEJSA-N 1 2 370.884 2.917 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)c2cncnc2)C1 ZINC001086604860 1002888500 /nfs/dbraw/zinc/88/85/00/1002888500.db2.gz YUHPOENKCJTJOM-ZYSHUDEJSA-N 1 2 370.884 2.917 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110360832 1002918352 /nfs/dbraw/zinc/91/83/52/1002918352.db2.gz OCZADIVDCLIRPA-DMSXTEQDSA-N 1 2 353.466 2.595 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110360832 1002918357 /nfs/dbraw/zinc/91/83/57/1002918357.db2.gz OCZADIVDCLIRPA-DMSXTEQDSA-N 1 2 353.466 2.595 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1=CC[N@H+]([C@@H](C)c2ncccn2)CC1 ZINC001001243746 1016715042 /nfs/dbraw/zinc/71/50/42/1016715042.db2.gz UDHQTUBARLSUAE-WDSOQIARSA-N 1 2 370.497 2.657 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1=CC[N@@H+]([C@@H](C)c2ncccn2)CC1 ZINC001001243746 1016715062 /nfs/dbraw/zinc/71/50/62/1016715062.db2.gz UDHQTUBARLSUAE-WDSOQIARSA-N 1 2 370.497 2.657 20 30 FFEDLO Cc1cccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096933994 1016758851 /nfs/dbraw/zinc/75/88/51/1016758851.db2.gz KDSIZBLSAPTTDM-QRQLOZEOSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096933994 1016758859 /nfs/dbraw/zinc/75/88/59/1016758859.db2.gz KDSIZBLSAPTTDM-QRQLOZEOSA-N 1 2 364.424 2.936 20 30 FFEDLO Cn1c[nH+]cc1CCOC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000793251858 1003319230 /nfs/dbraw/zinc/31/92/30/1003319230.db2.gz UUTNFJNYIMYMRR-UHFFFAOYSA-N 1 2 351.362 2.863 20 30 FFEDLO C[C@H](C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)n1cnc(C#N)n1 ZINC000793391838 1003361950 /nfs/dbraw/zinc/36/19/50/1003361950.db2.gz SAROWERBEPMCEV-CYBMUJFWSA-N 1 2 362.393 2.516 20 30 FFEDLO N#Cc1ccc(NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCCCC2)cn1 ZINC001114185025 1003508599 /nfs/dbraw/zinc/50/85/99/1003508599.db2.gz KXTXJSKWEIFSNT-IAGOWNOFSA-N 1 2 364.453 2.711 20 30 FFEDLO N#Cc1ccc(NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCCCC2)cn1 ZINC001114185025 1003508614 /nfs/dbraw/zinc/50/86/14/1003508614.db2.gz KXTXJSKWEIFSNT-IAGOWNOFSA-N 1 2 364.453 2.711 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C2CC2)n1 ZINC001092805949 1003557091 /nfs/dbraw/zinc/55/70/91/1003557091.db2.gz IZWQEWVFZAFIPE-BGTYHANMSA-N 1 2 370.497 2.870 20 30 FFEDLO Cn1c[nH+]cc1C1CCN(S(=O)(=O)c2cccc(C#N)c2Cl)CC1 ZINC001196089628 1003667438 /nfs/dbraw/zinc/66/74/38/1003667438.db2.gz TVWRHSSHTJGMOG-UHFFFAOYSA-N 1 2 364.858 2.513 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3c2c(F)ccc3F)C[C@H]1O ZINC001196475427 1003781502 /nfs/dbraw/zinc/78/15/02/1003781502.db2.gz VEQZTWKHYHYGTE-BRWVUGGUSA-N 1 2 364.436 2.716 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3c2c(F)ccc3F)C[C@H]1O ZINC001196475427 1003781507 /nfs/dbraw/zinc/78/15/07/1003781507.db2.gz VEQZTWKHYHYGTE-BRWVUGGUSA-N 1 2 364.436 2.716 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(Br)cc2)C[C@H]1O ZINC001191734422 1003941739 /nfs/dbraw/zinc/94/17/39/1003941739.db2.gz QHRDQFORUGWLIX-APHBMKBZSA-N 1 2 367.287 2.638 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(Br)cc2)C[C@H]1O ZINC001191734422 1003941747 /nfs/dbraw/zinc/94/17/47/1003941747.db2.gz QHRDQFORUGWLIX-APHBMKBZSA-N 1 2 367.287 2.638 20 30 FFEDLO CCCCCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001197082326 1004076645 /nfs/dbraw/zinc/07/66/45/1004076645.db2.gz HINVLCJSNNDMNQ-HMXCVIKNSA-N 1 2 356.510 2.806 20 30 FFEDLO CCCCCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001197082326 1004076655 /nfs/dbraw/zinc/07/66/55/1004076655.db2.gz HINVLCJSNNDMNQ-HMXCVIKNSA-N 1 2 356.510 2.806 20 30 FFEDLO CCCOc1ccc2c(c1)CC[N@@H+](Cc1cc(=O)n3ncc(C#N)c3[nH]1)C2 ZINC001192380181 1004147639 /nfs/dbraw/zinc/14/76/39/1004147639.db2.gz KXICLZMTXMIQBE-UHFFFAOYSA-N 1 2 363.421 2.654 20 30 FFEDLO CCCOc1ccc2c(c1)CC[N@H+](Cc1cc(=O)n3ncc(C#N)c3[nH]1)C2 ZINC001192380181 1004147646 /nfs/dbraw/zinc/14/76/46/1004147646.db2.gz KXICLZMTXMIQBE-UHFFFAOYSA-N 1 2 363.421 2.654 20 30 FFEDLO CC[C@@H](SC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1OC ZINC001110452454 1004365370 /nfs/dbraw/zinc/36/53/70/1004365370.db2.gz SJKAMECVPPEWTH-VXIBKDFQSA-N 1 2 373.522 2.930 20 30 FFEDLO CC[C@@H](SC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1OC ZINC001110452454 1004365380 /nfs/dbraw/zinc/36/53/80/1004365380.db2.gz SJKAMECVPPEWTH-VXIBKDFQSA-N 1 2 373.522 2.930 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)C[C@H]1O ZINC001193337135 1004454508 /nfs/dbraw/zinc/45/45/08/1004454508.db2.gz JNDVCDQZHFUJGT-IAGOWNOFSA-N 1 2 350.890 2.912 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)C[C@H]1O ZINC001193337135 1004454512 /nfs/dbraw/zinc/45/45/12/1004454512.db2.gz JNDVCDQZHFUJGT-IAGOWNOFSA-N 1 2 350.890 2.912 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(C)cc1 ZINC001110459524 1004486236 /nfs/dbraw/zinc/48/62/36/1004486236.db2.gz OWZHTLUZKPHIKY-AQNXPRMDSA-N 1 2 367.493 2.849 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(C)cc1 ZINC001110459524 1004486241 /nfs/dbraw/zinc/48/62/41/1004486241.db2.gz OWZHTLUZKPHIKY-AQNXPRMDSA-N 1 2 367.493 2.849 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)ns1 ZINC001097007295 1016881966 /nfs/dbraw/zinc/88/19/66/1016881966.db2.gz FYWONSKUHZTEAI-KYJSFNMBSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)ns1 ZINC001097007295 1016881983 /nfs/dbraw/zinc/88/19/83/1016881983.db2.gz FYWONSKUHZTEAI-KYJSFNMBSA-N 1 2 370.453 2.998 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC3CCCCC3)C2)s1 ZINC001198337188 1004583166 /nfs/dbraw/zinc/58/31/66/1004583166.db2.gz JSGRLJSHGDWSPB-QZTJIDSGSA-N 1 2 361.511 2.642 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC3CCCCC3)C2)s1 ZINC001198337188 1004583170 /nfs/dbraw/zinc/58/31/70/1004583170.db2.gz JSGRLJSHGDWSPB-QZTJIDSGSA-N 1 2 361.511 2.642 20 30 FFEDLO C=CCN1CC[N@@H+](C)C2(CCN(C(=O)OCCCCCCC)CC2)C1=O ZINC001194003018 1004628175 /nfs/dbraw/zinc/62/81/75/1004628175.db2.gz HDYDKVULFNDXMG-UHFFFAOYSA-N 1 2 365.518 2.888 20 30 FFEDLO C=CCN1CC[N@H+](C)C2(CCN(C(=O)OCCCCCCC)CC2)C1=O ZINC001194003018 1004628179 /nfs/dbraw/zinc/62/81/79/1004628179.db2.gz HDYDKVULFNDXMG-UHFFFAOYSA-N 1 2 365.518 2.888 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)/C=C(\C)CC)C3)c1 ZINC001110534856 1004948252 /nfs/dbraw/zinc/94/82/52/1004948252.db2.gz BDVQARGUSZNPJG-ATFSZLJCSA-N 1 2 365.477 2.684 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)/C=C(\C)CC)C3)c1 ZINC001110534856 1004948256 /nfs/dbraw/zinc/94/82/56/1004948256.db2.gz BDVQARGUSZNPJG-ATFSZLJCSA-N 1 2 365.477 2.684 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)c(OC)c2)C[C@H]1O ZINC001195531210 1004986276 /nfs/dbraw/zinc/98/62/76/1004986276.db2.gz CZIBPRJHCVQCMD-IAOVAPTHSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(OC)c2)C[C@H]1O ZINC001195531210 1004986282 /nfs/dbraw/zinc/98/62/82/1004986282.db2.gz CZIBPRJHCVQCMD-IAOVAPTHSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3nc4ccccc4o3)C[C@H]2O)CCC1 ZINC001195897139 1005062434 /nfs/dbraw/zinc/06/24/34/1005062434.db2.gz QJQFSUOGCZTILX-DJIMGWMZSA-N 1 2 369.465 2.797 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3nc4ccccc4o3)C[C@H]2O)CCC1 ZINC001195897139 1005062441 /nfs/dbraw/zinc/06/24/41/1005062441.db2.gz QJQFSUOGCZTILX-DJIMGWMZSA-N 1 2 369.465 2.797 20 30 FFEDLO Cc1cnccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001097045501 1016941200 /nfs/dbraw/zinc/94/12/00/1016941200.db2.gz WEYDTIKONJDOCZ-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cnccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001097045501 1016941205 /nfs/dbraw/zinc/94/12/05/1016941205.db2.gz WEYDTIKONJDOCZ-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C(C)C ZINC001110594459 1005388845 /nfs/dbraw/zinc/38/88/45/1005388845.db2.gz WMPMCBIXYUCUSH-OWYHZJEWSA-N 1 2 361.530 2.637 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C(C)C ZINC001110594459 1005388847 /nfs/dbraw/zinc/38/88/47/1005388847.db2.gz WMPMCBIXYUCUSH-OWYHZJEWSA-N 1 2 361.530 2.637 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1n[nH]c2c1CCCC2 ZINC001095674884 1016966141 /nfs/dbraw/zinc/96/61/41/1016966141.db2.gz ORUAGCTYVCSRMB-QMMLZNLJSA-N 1 2 374.488 2.675 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1n[nH]c2c1CCCC2 ZINC001095674884 1016966158 /nfs/dbraw/zinc/96/61/58/1016966158.db2.gz ORUAGCTYVCSRMB-QMMLZNLJSA-N 1 2 374.488 2.675 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)COCC2CC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001489104249 1005410022 /nfs/dbraw/zinc/41/00/22/1005410022.db2.gz ZQUQHUDWBXBMHT-RBUKOAKNSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)COCC2CC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001489104249 1005410024 /nfs/dbraw/zinc/41/00/24/1005410024.db2.gz ZQUQHUDWBXBMHT-RBUKOAKNSA-N 1 2 359.445 2.593 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2cn(C)nn2)[C@@H]1CC)c1ccccc1 ZINC001489145008 1005423493 /nfs/dbraw/zinc/42/34/93/1005423493.db2.gz MTTAZPQHXRMQRR-FFZOFVMBSA-N 1 2 367.497 2.644 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@H]1CC[N@@H+](Cc2cn(C)nn2)[C@@H]1CC)c1ccccc1 ZINC001489145008 1005423494 /nfs/dbraw/zinc/42/34/94/1005423494.db2.gz MTTAZPQHXRMQRR-FFZOFVMBSA-N 1 2 367.497 2.644 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)cs3)[C@@H]2C)CCOCC1 ZINC001489307665 1005455774 /nfs/dbraw/zinc/45/57/74/1005455774.db2.gz PFASCSFEPOCQHG-CVEARBPZSA-N 1 2 363.527 2.903 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)cs3)[C@@H]2C)CCOCC1 ZINC001489307665 1005455776 /nfs/dbraw/zinc/45/57/76/1005455776.db2.gz PFASCSFEPOCQHG-CVEARBPZSA-N 1 2 363.527 2.903 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001489455468 1005479088 /nfs/dbraw/zinc/47/90/88/1005479088.db2.gz IMBLDPRANGXQRU-SOLBZPMBSA-N 1 2 358.486 2.566 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1-c1ccncc1)C2 ZINC001095683731 1016987451 /nfs/dbraw/zinc/98/74/51/1016987451.db2.gz YZPIBRQDIKYTDW-KBMXLJTQSA-N 1 2 357.845 2.559 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1-c1ccncc1)C2 ZINC001095683731 1016987459 /nfs/dbraw/zinc/98/74/59/1016987459.db2.gz YZPIBRQDIKYTDW-KBMXLJTQSA-N 1 2 357.845 2.559 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3cn(-c4ccccc4)nn3)C[C@H]21 ZINC001187232789 1005969201 /nfs/dbraw/zinc/96/92/01/1005969201.db2.gz ISIQFVHIJUFLFA-FUHIMQAGSA-N 1 2 365.481 2.827 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3cn(-c4ccccc4)nn3)C[C@H]21 ZINC001187232789 1005969207 /nfs/dbraw/zinc/96/92/07/1005969207.db2.gz ISIQFVHIJUFLFA-FUHIMQAGSA-N 1 2 365.481 2.827 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3cccc(C)c3C)C[C@H]21 ZINC001187208716 1005977259 /nfs/dbraw/zinc/97/72/59/1005977259.db2.gz JKEZUDFFFNMUKY-PKOBYXMFSA-N 1 2 355.482 2.741 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3cccc(C)c3C)C[C@H]21 ZINC001187208716 1005977266 /nfs/dbraw/zinc/97/72/66/1005977266.db2.gz JKEZUDFFFNMUKY-PKOBYXMFSA-N 1 2 355.482 2.741 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccc(C)cc3C)C[C@H]21 ZINC001187209133 1005977483 /nfs/dbraw/zinc/97/74/83/1005977483.db2.gz KLNZVAIQYASYDA-PKOBYXMFSA-N 1 2 355.482 2.741 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccc(C)cc3C)C[C@H]21 ZINC001187209133 1005977498 /nfs/dbraw/zinc/97/74/98/1005977498.db2.gz KLNZVAIQYASYDA-PKOBYXMFSA-N 1 2 355.482 2.741 20 30 FFEDLO CSC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110393554 1006086672 /nfs/dbraw/zinc/08/66/72/1006086672.db2.gz MRCFJOHBKZRJON-QVDUIBETSA-N 1 2 361.486 2.918 20 30 FFEDLO CSC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110393554 1006086684 /nfs/dbraw/zinc/08/66/84/1006086684.db2.gz MRCFJOHBKZRJON-QVDUIBETSA-N 1 2 361.486 2.918 20 30 FFEDLO C#C[C@@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCOCC1 ZINC000852640434 1006118657 /nfs/dbraw/zinc/11/86/57/1006118657.db2.gz YVXYZOLTXBPPKT-PKOBYXMFSA-N 1 2 370.497 2.537 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097096155 1017028981 /nfs/dbraw/zinc/02/89/81/1017028981.db2.gz LBMJHRMLRDLJFP-XKRYSZRTSA-N 1 2 365.477 2.761 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097096155 1017028992 /nfs/dbraw/zinc/02/89/92/1017028992.db2.gz LBMJHRMLRDLJFP-XKRYSZRTSA-N 1 2 365.477 2.761 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3cc(C)ccc3C)C[C@H]21 ZINC001187713501 1006209782 /nfs/dbraw/zinc/20/97/82/1006209782.db2.gz BOUJBOCUJOLPII-AZUAARDMSA-N 1 2 367.493 2.578 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3cc(C)ccc3C)C[C@H]21 ZINC001187713501 1006209791 /nfs/dbraw/zinc/20/97/91/1006209791.db2.gz BOUJBOCUJOLPII-AZUAARDMSA-N 1 2 367.493 2.578 20 30 FFEDLO Cc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)C#CC(C)C)[C@@H]3C2)nc2ccccc12 ZINC001187841056 1006268584 /nfs/dbraw/zinc/26/85/84/1006268584.db2.gz QKZQJSCORMKDTC-FXAWDEMLSA-N 1 2 362.477 2.630 20 30 FFEDLO Cc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC(C)C)[C@@H]3C2)nc2ccccc12 ZINC001187841056 1006268599 /nfs/dbraw/zinc/26/85/99/1006268599.db2.gz QKZQJSCORMKDTC-FXAWDEMLSA-N 1 2 362.477 2.630 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001187841269 1006269109 /nfs/dbraw/zinc/26/91/09/1006269109.db2.gz UXFDSOKYZZWOSI-AZUAARDMSA-N 1 2 354.881 2.884 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001187841269 1006269120 /nfs/dbraw/zinc/26/91/20/1006269120.db2.gz UXFDSOKYZZWOSI-AZUAARDMSA-N 1 2 354.881 2.884 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000853272244 1006356799 /nfs/dbraw/zinc/35/67/99/1006356799.db2.gz SIDDIUWWTYMGIC-MRXNPFEDSA-N 1 2 355.413 2.769 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nnc(CC)o3)C[C@H]21 ZINC001188033831 1006389250 /nfs/dbraw/zinc/38/92/50/1006389250.db2.gz OUUUYOSPJSVTHS-HYVNUMGLSA-N 1 2 358.486 2.994 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nnc(CC)o3)C[C@H]21 ZINC001188033831 1006389264 /nfs/dbraw/zinc/38/92/64/1006389264.db2.gz OUUUYOSPJSVTHS-HYVNUMGLSA-N 1 2 358.486 2.994 20 30 FFEDLO CC(C)n1ncnc1CO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000853658889 1006495541 /nfs/dbraw/zinc/49/55/41/1006495541.db2.gz NOFQLUWCLZCGAO-UHFFFAOYSA-N 1 2 366.425 2.670 20 30 FFEDLO N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCC(Nc3cccc[nH+]3)CC1)C2 ZINC000923940212 1017068921 /nfs/dbraw/zinc/06/89/21/1017068921.db2.gz DCTWMOOKYCMSIL-IBGZPJMESA-N 1 2 361.449 2.707 20 30 FFEDLO COc1ccc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)cn1 ZINC000131325235 1006720767 /nfs/dbraw/zinc/72/07/67/1006720767.db2.gz LVPGALNAFKFZOB-UHFFFAOYSA-N 1 2 364.405 2.901 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001188808055 1006743183 /nfs/dbraw/zinc/74/31/83/1006743183.db2.gz RSVCGVALAHTBRX-AZUAARDMSA-N 1 2 367.493 2.742 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001188808055 1006743193 /nfs/dbraw/zinc/74/31/93/1006743193.db2.gz RSVCGVALAHTBRX-AZUAARDMSA-N 1 2 367.493 2.742 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nc(C(C)C)no3)C[C@H]21 ZINC001188866851 1006756410 /nfs/dbraw/zinc/75/64/10/1006756410.db2.gz QXNBUVXRDSPDSI-YESZJQIVSA-N 1 2 358.486 2.980 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3nc(C(C)C)no3)C[C@H]21 ZINC001188866851 1006756421 /nfs/dbraw/zinc/75/64/21/1006756421.db2.gz QXNBUVXRDSPDSI-YESZJQIVSA-N 1 2 358.486 2.980 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc([C@@]3(C#N)CCCOC3)n2)O1 ZINC000867045241 1006763462 /nfs/dbraw/zinc/76/34/62/1006763462.db2.gz BKNAJXQWBGYMCS-OXFYSEKESA-N 1 2 368.437 2.603 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc([C@@]3(C#N)CCCOC3)n2)O1 ZINC000867045241 1006763472 /nfs/dbraw/zinc/76/34/72/1006763472.db2.gz BKNAJXQWBGYMCS-OXFYSEKESA-N 1 2 368.437 2.603 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001188884810 1006766402 /nfs/dbraw/zinc/76/64/02/1006766402.db2.gz LVWQZRDNASGHPK-ABSDTBQOSA-N 1 2 356.514 2.854 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001188884810 1006766417 /nfs/dbraw/zinc/76/64/17/1006766417.db2.gz LVWQZRDNASGHPK-ABSDTBQOSA-N 1 2 356.514 2.854 20 30 FFEDLO N#Cc1cccc2[nH]cc(C(=O)N3CC[NH+](CCOc4ccccc4)CC3)c21 ZINC001135381855 1006903043 /nfs/dbraw/zinc/90/30/43/1006903043.db2.gz SKMXKUYZHBNWEC-UHFFFAOYSA-N 1 2 374.444 2.876 20 30 FFEDLO CC1(C)CC[C@@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)OC1 ZINC001135508845 1007001522 /nfs/dbraw/zinc/00/15/22/1007001522.db2.gz CGYWCWBQOXJOOS-IBGZPJMESA-N 1 2 355.482 2.798 20 30 FFEDLO N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(F)ccc2F)c[nH]1 ZINC001095329213 1007426100 /nfs/dbraw/zinc/42/61/00/1007426100.db2.gz AOFGPYKLTCJCPO-NJAFHUGGSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(F)ccc2F)c[nH]1 ZINC001095329213 1007426103 /nfs/dbraw/zinc/42/61/03/1007426103.db2.gz AOFGPYKLTCJCPO-NJAFHUGGSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1ccccc1N1CCN(C(=O)c2ccccc2-n2cc[nH+]c2)CC1 ZINC001190075306 1007457442 /nfs/dbraw/zinc/45/74/42/1007457442.db2.gz OVIKLLJAPXJTCJ-UHFFFAOYSA-N 1 2 357.417 2.706 20 30 FFEDLO N#Cc1c(F)cccc1C(=O)OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817187413 1007470374 /nfs/dbraw/zinc/47/03/74/1007470374.db2.gz QAWOVKBBLOPODK-UHFFFAOYSA-N 1 2 354.381 2.887 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(-c4ccco4)on3)C[C@H]21 ZINC001190425172 1007636662 /nfs/dbraw/zinc/63/66/62/1007636662.db2.gz PAOXVLFBWNBFCE-DOTOQJQBSA-N 1 2 371.437 2.560 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(-c4ccco4)on3)C[C@H]21 ZINC001190425172 1007636664 /nfs/dbraw/zinc/63/66/64/1007636664.db2.gz PAOXVLFBWNBFCE-DOTOQJQBSA-N 1 2 371.437 2.560 20 30 FFEDLO Cc1ccc(O[C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)nc1 ZINC000858032739 1008282672 /nfs/dbraw/zinc/28/26/72/1008282672.db2.gz MXDTZNTWNWTLBZ-DOTOQJQBSA-N 1 2 350.422 2.742 20 30 FFEDLO Cc1ccc(O[C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)nc1 ZINC000858032739 1008282677 /nfs/dbraw/zinc/28/26/77/1008282677.db2.gz MXDTZNTWNWTLBZ-DOTOQJQBSA-N 1 2 350.422 2.742 20 30 FFEDLO Cc1ccc(O[C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)nc1 ZINC000858032740 1008283107 /nfs/dbraw/zinc/28/31/07/1008283107.db2.gz MXDTZNTWNWTLBZ-NVXWUHKLSA-N 1 2 350.422 2.742 20 30 FFEDLO Cc1ccc(O[C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)nc1 ZINC000858032740 1008283109 /nfs/dbraw/zinc/28/31/09/1008283109.db2.gz MXDTZNTWNWTLBZ-NVXWUHKLSA-N 1 2 350.422 2.742 20 30 FFEDLO Cc1ccc(O[C@H]2CC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)nc1 ZINC000858042012 1008287592 /nfs/dbraw/zinc/28/75/92/1008287592.db2.gz NODRXEAAQIZBOL-JKSUJKDBSA-N 1 2 368.462 2.582 20 30 FFEDLO Cc1ccc(O[C@H]2CC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)nc1 ZINC000858042012 1008287595 /nfs/dbraw/zinc/28/75/95/1008287595.db2.gz NODRXEAAQIZBOL-JKSUJKDBSA-N 1 2 368.462 2.582 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206479311 1032305212 /nfs/dbraw/zinc/30/52/12/1032305212.db2.gz OAEJGOQGNGWKHN-ZRGWGRIASA-N 1 2 359.445 2.615 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206479311 1032305221 /nfs/dbraw/zinc/30/52/21/1032305221.db2.gz OAEJGOQGNGWKHN-ZRGWGRIASA-N 1 2 359.445 2.615 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc4cnccc4c3)CC2)cc1 ZINC000858154492 1008313024 /nfs/dbraw/zinc/31/30/24/1008313024.db2.gz JRRDGGQNIIEORN-UHFFFAOYSA-N 1 2 370.456 2.993 20 30 FFEDLO C#C[C@H](C)NC(=O)N(CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000820441471 1008331760 /nfs/dbraw/zinc/33/17/60/1008331760.db2.gz VKLDIIZMWKTIDS-KRWDZBQOSA-N 1 2 354.454 2.905 20 30 FFEDLO C#CCCN(CCOC)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000820919197 1008386525 /nfs/dbraw/zinc/38/65/25/1008386525.db2.gz MIIWINAYOYIXGA-QGZVFWFLSA-N 1 2 359.470 2.583 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000823469471 1009079139 /nfs/dbraw/zinc/07/91/39/1009079139.db2.gz WIGIXEJQFBDNCW-SMEDBKPVSA-N 1 2 365.481 2.796 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000823469471 1009079155 /nfs/dbraw/zinc/07/91/55/1009079155.db2.gz WIGIXEJQFBDNCW-SMEDBKPVSA-N 1 2 365.481 2.796 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3ccc(CC#N)cc3)C2)c1 ZINC000826565875 1009142393 /nfs/dbraw/zinc/14/23/93/1009142393.db2.gz ZKDAVEVZOLBMAS-OAQYLSRUSA-N 1 2 363.461 2.692 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3ccc(CC#N)cc3)C2)c1 ZINC000826565875 1009142401 /nfs/dbraw/zinc/14/24/01/1009142401.db2.gz ZKDAVEVZOLBMAS-OAQYLSRUSA-N 1 2 363.461 2.692 20 30 FFEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000823628661 1009146292 /nfs/dbraw/zinc/14/62/92/1009146292.db2.gz YBBHQEAIVSGGNJ-HOCLYGCPSA-N 1 2 362.474 2.564 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000823899984 1009263653 /nfs/dbraw/zinc/26/36/53/1009263653.db2.gz XYNQRRCXRBMASN-AWEZNQCLSA-N 1 2 357.414 2.860 20 30 FFEDLO COC(=O)c1cc(C#N)cc(-c2ccc(C[NH+]3CCOCC3)cc2F)c1 ZINC001206719318 1032399804 /nfs/dbraw/zinc/39/98/04/1032399804.db2.gz GPWJJHMTXGVROM-UHFFFAOYSA-N 1 2 354.381 2.983 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001092948889 1009419019 /nfs/dbraw/zinc/41/90/19/1009419019.db2.gz PPOUINZWCKPDEK-LIRZEXBASA-N 1 2 358.486 2.555 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)s1)C2 ZINC001110241994 1009962781 /nfs/dbraw/zinc/96/27/81/1009962781.db2.gz KIJCIVMZRGMBQA-ZACQAIPSSA-N 1 2 373.522 2.592 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)s1)C2 ZINC001110241994 1009962793 /nfs/dbraw/zinc/96/27/93/1009962793.db2.gz KIJCIVMZRGMBQA-ZACQAIPSSA-N 1 2 373.522 2.592 20 30 FFEDLO N#CC1(CC(=O)N2CCc3onc(Cn4cc[nH+]c4)c3C2)CCCCC1 ZINC001181345095 1010087808 /nfs/dbraw/zinc/08/78/08/1010087808.db2.gz CYBYIHVQDMEYIZ-UHFFFAOYSA-N 1 2 353.426 2.668 20 30 FFEDLO C=CCC[C@@H]([NH2+]C1CC2(C[C@@H]2NC(=O)OC(C)(C)C)C1)C(=O)OCC ZINC001181828013 1010272737 /nfs/dbraw/zinc/27/27/37/1010272737.db2.gz PUYMFCHLHKQAKE-QXGUJMOYSA-N 1 2 352.475 2.920 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)no2)C[C@H]1C ZINC001206886837 1032481741 /nfs/dbraw/zinc/48/17/41/1032481741.db2.gz JYLZSGBGEPTSEB-SJLPKXTDSA-N 1 2 366.465 2.867 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccccc3)no2)C[C@H]1C ZINC001206886837 1032481745 /nfs/dbraw/zinc/48/17/45/1032481745.db2.gz JYLZSGBGEPTSEB-SJLPKXTDSA-N 1 2 366.465 2.867 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000890430267 1010407404 /nfs/dbraw/zinc/40/74/04/1010407404.db2.gz NBTDPYKVSDVNGA-HXUWFJFHSA-N 1 2 374.444 2.677 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000890430267 1010407412 /nfs/dbraw/zinc/40/74/12/1010407412.db2.gz NBTDPYKVSDVNGA-HXUWFJFHSA-N 1 2 374.444 2.677 20 30 FFEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001093785769 1010558785 /nfs/dbraw/zinc/55/87/85/1010558785.db2.gz YNEQESJDRAMBMK-GIPNMCIBSA-N 1 2 363.380 2.704 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001093785769 1010558794 /nfs/dbraw/zinc/55/87/94/1010558794.db2.gz YNEQESJDRAMBMK-GIPNMCIBSA-N 1 2 363.380 2.704 20 30 FFEDLO C=CCOc1ccc(-c2nn(C[N@H+]3CC[C@@](C)(C(N)=O)C3)c(=S)o2)cc1 ZINC000794716394 1010564604 /nfs/dbraw/zinc/56/46/04/1010564604.db2.gz RYPUDIBJXCETEI-GOSISDBHSA-N 1 2 374.466 2.592 20 30 FFEDLO C=CCOc1ccc(-c2nn(C[N@@H+]3CC[C@@](C)(C(N)=O)C3)c(=S)o2)cc1 ZINC000794716394 1010564615 /nfs/dbraw/zinc/56/46/15/1010564615.db2.gz RYPUDIBJXCETEI-GOSISDBHSA-N 1 2 374.466 2.592 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2c(F)cccc2Cl)C[C@H]1C ZINC001206915954 1032497970 /nfs/dbraw/zinc/49/79/70/1032497970.db2.gz PYAKRRWCVMYHPA-XHBKTUGNSA-N 1 2 354.853 2.743 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2c(F)cccc2Cl)C[C@H]1C ZINC001206915954 1032497973 /nfs/dbraw/zinc/49/79/73/1032497973.db2.gz PYAKRRWCVMYHPA-XHBKTUGNSA-N 1 2 354.853 2.743 20 30 FFEDLO COc1ccc(C[C@@](C)(O)C[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1OC ZINC000866361155 1010983836 /nfs/dbraw/zinc/98/38/36/1010983836.db2.gz KECMHEALVNYTSJ-LHSJRXKWSA-N 1 2 370.449 2.925 20 30 FFEDLO C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2csnn2)CC3)cc1 ZINC001094486801 1011151742 /nfs/dbraw/zinc/15/17/42/1011151742.db2.gz IVJHSHRCLRCPSM-UYAOXDASSA-N 1 2 366.490 2.694 20 30 FFEDLO C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@@H+](Cc2csnn2)CC3)cc1 ZINC001094486801 1011151747 /nfs/dbraw/zinc/15/17/47/1011151747.db2.gz IVJHSHRCLRCPSM-UYAOXDASSA-N 1 2 366.490 2.694 20 30 FFEDLO COCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)CCC1 ZINC001110824690 1011508600 /nfs/dbraw/zinc/50/86/00/1011508600.db2.gz UINUZVWJYKCZRO-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO COCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)CCC1 ZINC001110824690 1011508608 /nfs/dbraw/zinc/50/86/08/1011508608.db2.gz UINUZVWJYKCZRO-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCC(CC#N)CC3)C2)c1 ZINC000869096645 1011607537 /nfs/dbraw/zinc/60/75/37/1011607537.db2.gz OPDHRRVSUYAASU-FQEVSTJZSA-N 1 2 370.497 2.531 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCC(CC#N)CC3)C2)c1 ZINC000869096645 1011607547 /nfs/dbraw/zinc/60/75/47/1011607547.db2.gz OPDHRRVSUYAASU-FQEVSTJZSA-N 1 2 370.497 2.531 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000410564350 1011628634 /nfs/dbraw/zinc/62/86/34/1011628634.db2.gz VWKGOUBNCAUGOR-GOSISDBHSA-N 1 2 372.513 2.721 20 30 FFEDLO COC(=O)[C@H]1C[C@@H]([N@@H+]2CC[C@@](C)(C#N)C2)C[C@H]1C(=O)OCc1ccccc1 ZINC001172277679 1011712301 /nfs/dbraw/zinc/71/23/01/1011712301.db2.gz WDBZNHNKHQDUPE-IIMDRIAPSA-N 1 2 370.449 2.533 20 30 FFEDLO COC(=O)[C@H]1C[C@@H]([N@H+]2CC[C@@](C)(C#N)C2)C[C@H]1C(=O)OCc1ccccc1 ZINC001172277679 1011712312 /nfs/dbraw/zinc/71/23/12/1011712312.db2.gz WDBZNHNKHQDUPE-IIMDRIAPSA-N 1 2 370.449 2.533 20 30 FFEDLO CCCCCCC[C@@H](C)C(=O)N1CCCC2(C[NH+](CC(=O)N(C)C)C2)C1 ZINC001274928660 1011755199 /nfs/dbraw/zinc/75/51/99/1011755199.db2.gz OBXHMSFUDOLRQZ-GOSISDBHSA-N 1 2 365.562 2.996 20 30 FFEDLO N#Cc1ccc(OCC(=O)Nc2ccn3cc[nH+]c3c2)cc1Br ZINC001274961718 1011775156 /nfs/dbraw/zinc/77/51/56/1011775156.db2.gz VRWFADZODMZXGF-UHFFFAOYSA-N 1 2 371.194 2.986 20 30 FFEDLO N#CCCCN1CC[C@@]2(CC[N@@H+](Cc3nc(C(F)(F)F)cs3)C2)C1=O ZINC001275206756 1012081595 /nfs/dbraw/zinc/08/15/95/1012081595.db2.gz CSASZOLKVDIHSP-OAHLLOKOSA-N 1 2 372.416 2.890 20 30 FFEDLO N#CCCCN1CC[C@@]2(CC[N@H+](Cc3nc(C(F)(F)F)cs3)C2)C1=O ZINC001275206756 1012081606 /nfs/dbraw/zinc/08/16/06/1012081606.db2.gz CSASZOLKVDIHSP-OAHLLOKOSA-N 1 2 372.416 2.890 20 30 FFEDLO C#CC[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1)c1ccccc1 ZINC001217082018 1032605980 /nfs/dbraw/zinc/60/59/80/1032605980.db2.gz RWSFVGRTEPSJLB-SZVBFZGTSA-N 1 2 368.506 2.672 20 30 FFEDLO C#CCN1C(=O)COCC12C[NH+](Cc1ccc(-c3ccccc3Cl)o1)C2 ZINC001275288447 1012208054 /nfs/dbraw/zinc/20/80/54/1012208054.db2.gz JOJSSLFSKPTOMO-UHFFFAOYSA-N 1 2 370.836 2.646 20 30 FFEDLO COc1cccc(C[NH+]2CCN(C(=O)c3ccccc3OCC#N)CC2)c1 ZINC000870156213 1012219316 /nfs/dbraw/zinc/21/93/16/1012219316.db2.gz KLHJHROKDRXBGQ-UHFFFAOYSA-N 1 2 365.433 2.556 20 30 FFEDLO C=CCCCCC[NH+]1CC2(C1)COCC(=O)N2CC(=O)c1cccs1 ZINC001275329167 1012311106 /nfs/dbraw/zinc/31/11/06/1012311106.db2.gz OAWOLFAQXHWDBS-UHFFFAOYSA-N 1 2 362.495 2.590 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cccnc2)C3)c1 ZINC001095100467 1012418728 /nfs/dbraw/zinc/41/87/28/1012418728.db2.gz NBDYKNRVJWKERL-NEWSRXKRSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cccnc2)C3)c1 ZINC001095100467 1012418741 /nfs/dbraw/zinc/41/87/41/1012418741.db2.gz NBDYKNRVJWKERL-NEWSRXKRSA-N 1 2 350.397 2.628 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1[nH]nc2ccc(Cl)cc21 ZINC001275460414 1012491519 /nfs/dbraw/zinc/49/15/19/1012491519.db2.gz KUCSIONFIOLICS-IBGZPJMESA-N 1 2 356.857 2.807 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1[nH]nc2ccc(Cl)cc21 ZINC001275460414 1012491527 /nfs/dbraw/zinc/49/15/27/1012491527.db2.gz KUCSIONFIOLICS-IBGZPJMESA-N 1 2 356.857 2.807 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccoc1)C2 ZINC001095175623 1012613625 /nfs/dbraw/zinc/61/36/25/1012613625.db2.gz PQBQEIDYDUFACT-SQNIBIBYSA-N 1 2 351.406 2.695 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccoc1)C2 ZINC001095175623 1012613634 /nfs/dbraw/zinc/61/36/34/1012613634.db2.gz PQBQEIDYDUFACT-SQNIBIBYSA-N 1 2 351.406 2.695 20 30 FFEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1c(Cl)ccnc1Cl)CC2 ZINC001275597425 1012665394 /nfs/dbraw/zinc/66/53/94/1012665394.db2.gz GQEKUYFCXXLUKR-CYBMUJFWSA-N 1 2 352.265 2.740 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC001275654856 1012766673 /nfs/dbraw/zinc/76/66/73/1012766673.db2.gz KGQPZLHPJHOCMQ-UHFFFAOYSA-N 1 2 354.372 2.695 20 30 FFEDLO Cc1[nH]nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)c1C ZINC001095244617 1012840411 /nfs/dbraw/zinc/84/04/11/1012840411.db2.gz LZGRGENDZUQJKH-NJAFHUGGSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1[nH]nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)c1C ZINC001095244617 1012840423 /nfs/dbraw/zinc/84/04/23/1012840423.db2.gz LZGRGENDZUQJKH-NJAFHUGGSA-N 1 2 367.428 2.573 20 30 FFEDLO C=CCCCCCCCCC[NH+]1CC2(C1)CN(C1COC1)C(=O)CO2 ZINC001275804973 1013022800 /nfs/dbraw/zinc/02/28/00/1013022800.db2.gz VQJAQGUVJUGUQO-UHFFFAOYSA-N 1 2 350.503 2.605 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(CNc2cc[nH+]c(C)n2)CC1 ZINC001057546073 1017121874 /nfs/dbraw/zinc/12/18/74/1017121874.db2.gz CQXJBFALGUHJHO-HKUYNNGSSA-N 1 2 358.486 2.807 20 30 FFEDLO CC[C@H]([NH2+]Cc1cccc(OCC(=O)NC)c1)c1cccc(C#N)c1O ZINC000924717521 1017443821 /nfs/dbraw/zinc/44/38/21/1017443821.db2.gz OQYWTRQAKCAEQM-SFHVURJKSA-N 1 2 353.422 2.630 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc3[nH]ccc31)C2 ZINC001097437213 1017486903 /nfs/dbraw/zinc/48/69/03/1017486903.db2.gz USHRZTSDKZDFSA-BSIFCXSSSA-N 1 2 371.444 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc3[nH]ccc31)C2 ZINC001097437213 1017486911 /nfs/dbraw/zinc/48/69/11/1017486911.db2.gz USHRZTSDKZDFSA-BSIFCXSSSA-N 1 2 371.444 2.970 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)CCC(C)C ZINC001110899803 1017647125 /nfs/dbraw/zinc/64/71/25/1017647125.db2.gz QWCGXZFGGXJUAR-MLHJIOFPSA-N 1 2 363.546 2.861 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)CCC(C)C ZINC001110899803 1017647132 /nfs/dbraw/zinc/64/71/32/1017647132.db2.gz QWCGXZFGGXJUAR-MLHJIOFPSA-N 1 2 363.546 2.861 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCCC1 ZINC001110899921 1017647644 /nfs/dbraw/zinc/64/76/44/1017647644.db2.gz WUNRNKIWDSQTMG-KURKYZTESA-N 1 2 361.530 2.759 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCCC1 ZINC001110899921 1017647648 /nfs/dbraw/zinc/64/76/48/1017647648.db2.gz WUNRNKIWDSQTMG-KURKYZTESA-N 1 2 361.530 2.759 20 30 FFEDLO CCCNC(=O)CO[NH+]=C(N)c1ccc(COc2ccccc2F)cc1 ZINC000748795828 1017658291 /nfs/dbraw/zinc/65/82/91/1017658291.db2.gz GRHDDLSBODPTFL-UHFFFAOYSA-N 1 2 359.401 2.568 20 30 FFEDLO Cc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001097751650 1017907105 /nfs/dbraw/zinc/90/71/05/1017907105.db2.gz BUDIBONBNKHYAS-XWIAVFTESA-N 1 2 352.463 2.859 20 30 FFEDLO Cc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001097751650 1017907114 /nfs/dbraw/zinc/90/71/14/1017907114.db2.gz BUDIBONBNKHYAS-XWIAVFTESA-N 1 2 352.463 2.859 20 30 FFEDLO CCc1nocc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097798089 1017942399 /nfs/dbraw/zinc/94/23/99/1017942399.db2.gz AUHXSZLPWPMWDL-LZQZEXGQSA-N 1 2 350.422 2.644 20 30 FFEDLO CCc1nocc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097798089 1017942415 /nfs/dbraw/zinc/94/24/15/1017942415.db2.gz AUHXSZLPWPMWDL-LZQZEXGQSA-N 1 2 350.422 2.644 20 30 FFEDLO C=C[C@@H](C)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000680390238 1017962839 /nfs/dbraw/zinc/96/28/39/1017962839.db2.gz ZAKJHHVZOBAWAY-LLVKDONJSA-N 1 2 351.248 2.821 20 30 FFEDLO C=CCCOCC(=O)N1C[C@H]2CC[N@H+](Cc3nsc4ccccc43)C[C@H]21 ZINC001222075070 1032737571 /nfs/dbraw/zinc/73/75/71/1032737571.db2.gz BKSCZABBPJRTMO-CRAIPNDOSA-N 1 2 371.506 2.922 20 30 FFEDLO C=CCCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3nsc4ccccc43)C[C@H]21 ZINC001222075070 1032737584 /nfs/dbraw/zinc/73/75/84/1032737584.db2.gz BKSCZABBPJRTMO-CRAIPNDOSA-N 1 2 371.506 2.922 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001097879295 1018145888 /nfs/dbraw/zinc/14/58/88/1018145888.db2.gz JZGRPHANFMEBII-ZJXIFLPPSA-N 1 2 369.440 2.510 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001097879295 1018145893 /nfs/dbraw/zinc/14/58/93/1018145893.db2.gz JZGRPHANFMEBII-ZJXIFLPPSA-N 1 2 369.440 2.510 20 30 FFEDLO CC[C@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1cccc(C#N)c1O ZINC000926568947 1018162390 /nfs/dbraw/zinc/16/23/90/1018162390.db2.gz DWJIGQHTKFAYKD-DLBZAZTESA-N 1 2 360.454 2.720 20 30 FFEDLO Cc1ccc(C#N)c(NCC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C)n1 ZINC001053362747 1018266324 /nfs/dbraw/zinc/26/63/24/1018266324.db2.gz AVLWIHLTDZXMRB-RHSMWYFYSA-N 1 2 366.469 2.514 20 30 FFEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CCNc1cccc(F)c1C#N ZINC001053529734 1018352829 /nfs/dbraw/zinc/35/28/29/1018352829.db2.gz BZTOSLYHBXKSER-ZIAGYGMSSA-N 1 2 355.417 2.560 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccccc3)C2)O1 ZINC001053600412 1018381685 /nfs/dbraw/zinc/38/16/85/1018381685.db2.gz HZSRYLBTHDYFNU-ZCNNSNEGSA-N 1 2 370.493 2.517 20 30 FFEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)O2 ZINC001053659050 1018403339 /nfs/dbraw/zinc/40/33/39/1018403339.db2.gz KKNQERRTWNZYTJ-RBSFLKMASA-N 1 2 362.420 2.604 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1 ZINC001110925405 1018555772 /nfs/dbraw/zinc/55/57/72/1018555772.db2.gz YEEUNBQDABYEER-QRVBRYPASA-N 1 2 353.466 2.540 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1 ZINC001110925405 1018555782 /nfs/dbraw/zinc/55/57/82/1018555782.db2.gz YEEUNBQDABYEER-QRVBRYPASA-N 1 2 353.466 2.540 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCC1 ZINC001110932076 1018697711 /nfs/dbraw/zinc/69/77/11/1018697711.db2.gz DEXRHPQJHPMXRS-OWYHZJEWSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCC1 ZINC001110932076 1018697736 /nfs/dbraw/zinc/69/77/36/1018697736.db2.gz DEXRHPQJHPMXRS-OWYHZJEWSA-N 1 2 361.530 2.759 20 30 FFEDLO CC1(C)CN(c2cccc(F)c2C#N)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001068144137 1019236171 /nfs/dbraw/zinc/23/61/71/1019236171.db2.gz LIFZCARSKXYIRA-SNUQEOBHSA-N 1 2 367.428 2.555 20 30 FFEDLO CC1(C)CN(c2cccc(F)c2C#N)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001068144137 1019236175 /nfs/dbraw/zinc/23/61/75/1019236175.db2.gz LIFZCARSKXYIRA-SNUQEOBHSA-N 1 2 367.428 2.555 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)nc1 ZINC001043268180 1019293368 /nfs/dbraw/zinc/29/33/68/1019293368.db2.gz ZANFCILSBIQHBJ-FZKQIMNGSA-N 1 2 361.449 2.611 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(c2ccccc2)C1=O ZINC001110966965 1019383703 /nfs/dbraw/zinc/38/37/03/1019383703.db2.gz MJAPHORWZBNDRQ-ZRNYENFQSA-N 1 2 367.493 2.870 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(c2ccccc2)C1=O ZINC001110966965 1019383719 /nfs/dbraw/zinc/38/37/19/1019383719.db2.gz MJAPHORWZBNDRQ-ZRNYENFQSA-N 1 2 367.493 2.870 20 30 FFEDLO CCn1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)c1C ZINC001096226937 1019497090 /nfs/dbraw/zinc/49/70/90/1019497090.db2.gz RYKZGCVQRRKWJI-BVGQSLNGSA-N 1 2 369.494 2.680 20 30 FFEDLO CCn1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)c1C ZINC001096226937 1019497101 /nfs/dbraw/zinc/49/71/01/1019497101.db2.gz RYKZGCVQRRKWJI-BVGQSLNGSA-N 1 2 369.494 2.680 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001069833350 1019631071 /nfs/dbraw/zinc/63/10/71/1019631071.db2.gz MXSGKXLABDXAMU-MOPGFXCFSA-N 1 2 370.497 2.636 20 30 FFEDLO Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)ccn1C ZINC001095979623 1019681603 /nfs/dbraw/zinc/68/16/03/1019681603.db2.gz HFGFAPVXFZCWRR-UXPWSPDFSA-N 1 2 366.440 2.880 20 30 FFEDLO Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)ccn1C ZINC001095979623 1019681609 /nfs/dbraw/zinc/68/16/09/1019681609.db2.gz HFGFAPVXFZCWRR-UXPWSPDFSA-N 1 2 366.440 2.880 20 30 FFEDLO Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)ccn1C ZINC001095979726 1019681619 /nfs/dbraw/zinc/68/16/19/1019681619.db2.gz LUQLXZFBVZWBNO-UXPWSPDFSA-N 1 2 366.440 2.880 20 30 FFEDLO Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)ccn1C ZINC001095979726 1019681626 /nfs/dbraw/zinc/68/16/26/1019681626.db2.gz LUQLXZFBVZWBNO-UXPWSPDFSA-N 1 2 366.440 2.880 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2Cc2ccccc2)CC1 ZINC000802087228 1019737467 /nfs/dbraw/zinc/73/74/67/1019737467.db2.gz REPVJXNAYJIRNL-UHFFFAOYSA-N 1 2 357.461 2.749 20 30 FFEDLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(Cl)cc2)CCOC1 ZINC001098110435 1019762088 /nfs/dbraw/zinc/76/20/88/1019762088.db2.gz RSISFKLYJPVYOY-WERVVEIQSA-N 1 2 372.896 2.840 20 30 FFEDLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(Cl)cc2)CCOC1 ZINC001098110435 1019762101 /nfs/dbraw/zinc/76/21/01/1019762101.db2.gz RSISFKLYJPVYOY-WERVVEIQSA-N 1 2 372.896 2.840 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)CCC)CC1 ZINC001110982102 1019880108 /nfs/dbraw/zinc/88/01/08/1019880108.db2.gz INJJMWDDVYBWIL-OWYHZJEWSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)CCC)CC1 ZINC001110982102 1019880123 /nfs/dbraw/zinc/88/01/23/1019880123.db2.gz INJJMWDDVYBWIL-OWYHZJEWSA-N 1 2 361.530 2.759 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F)C(C)C ZINC001110984399 1019946074 /nfs/dbraw/zinc/94/60/74/1019946074.db2.gz GHXWEMLXYRSKIG-YSHGAJCASA-N 1 2 359.445 2.590 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F)C(C)C ZINC001110984399 1019946088 /nfs/dbraw/zinc/94/60/88/1019946088.db2.gz GHXWEMLXYRSKIG-YSHGAJCASA-N 1 2 359.445 2.590 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2c(C)nnn2CC)CCC1 ZINC001110986975 1019996955 /nfs/dbraw/zinc/99/69/55/1019996955.db2.gz DNGWVWZDKFRMQP-ZACQAIPSSA-N 1 2 357.502 2.574 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2c(C)nnn2CC)CCC1 ZINC001110986975 1019996967 /nfs/dbraw/zinc/99/69/67/1019996967.db2.gz DNGWVWZDKFRMQP-ZACQAIPSSA-N 1 2 357.502 2.574 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(OC)nc1C ZINC001110989019 1020020330 /nfs/dbraw/zinc/02/03/30/1020020330.db2.gz CYRCNPORCWYBQX-WWNBULGVSA-N 1 2 358.486 2.617 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(OC)nc1C ZINC001110989019 1020020344 /nfs/dbraw/zinc/02/03/44/1020020344.db2.gz CYRCNPORCWYBQX-WWNBULGVSA-N 1 2 358.486 2.617 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCC1 ZINC001110989759 1020023682 /nfs/dbraw/zinc/02/36/82/1020023682.db2.gz VKDLVGVUEGHAIW-DCXXXQMHSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCC1 ZINC001110989759 1020023688 /nfs/dbraw/zinc/02/36/88/1020023688.db2.gz VKDLVGVUEGHAIW-DCXXXQMHSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)cc(F)c1 ZINC001096035501 1020032116 /nfs/dbraw/zinc/03/21/16/1020032116.db2.gz BYNKGQASHNOHFD-GFEQUFNTSA-N 1 2 362.420 2.777 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)cc(F)c1 ZINC001096035501 1020032124 /nfs/dbraw/zinc/03/21/24/1020032124.db2.gz BYNKGQASHNOHFD-GFEQUFNTSA-N 1 2 362.420 2.777 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110995987 1020160859 /nfs/dbraw/zinc/16/08/59/1020160859.db2.gz ARWFPQVRTPBJOP-RSPOEFSDSA-N 1 2 373.472 2.980 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110995987 1020160864 /nfs/dbraw/zinc/16/08/64/1020160864.db2.gz ARWFPQVRTPBJOP-RSPOEFSDSA-N 1 2 373.472 2.980 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110997866 1020176162 /nfs/dbraw/zinc/17/61/62/1020176162.db2.gz VCVJEIWMVUAMGN-RSPOEFSDSA-N 1 2 373.472 2.980 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110997866 1020176166 /nfs/dbraw/zinc/17/61/66/1020176166.db2.gz VCVJEIWMVUAMGN-RSPOEFSDSA-N 1 2 373.472 2.980 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CCCc3ccccc3)n2CC(=C)C)CC1 ZINC000802559205 1020224192 /nfs/dbraw/zinc/22/41/92/1020224192.db2.gz IRAYCAHMADIOFM-UHFFFAOYSA-N 1 2 363.509 2.785 20 30 FFEDLO O=C1[C@@H](CCc2ccccc2)CCN1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902599568 1020331306 /nfs/dbraw/zinc/33/13/06/1020331306.db2.gz FXCPJSFFSQGAFE-IBGZPJMESA-N 1 2 368.477 2.763 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001073034295 1020345407 /nfs/dbraw/zinc/34/54/07/1020345407.db2.gz LGWUOADAEITNOD-HUUCEWRRSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001073034295 1020345415 /nfs/dbraw/zinc/34/54/15/1020345415.db2.gz LGWUOADAEITNOD-HUUCEWRRSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001073123836 1020379411 /nfs/dbraw/zinc/37/94/11/1020379411.db2.gz LTSXHOSRAKOPTR-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001073123836 1020379420 /nfs/dbraw/zinc/37/94/20/1020379420.db2.gz LTSXHOSRAKOPTR-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C#CCCCCCC(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001073185008 1020412628 /nfs/dbraw/zinc/41/26/28/1020412628.db2.gz YNGOSZUSTFCGAO-IAGOWNOFSA-N 1 2 370.497 2.594 20 30 FFEDLO C#CCCCCCC(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001073185008 1020412635 /nfs/dbraw/zinc/41/26/35/1020412635.db2.gz YNGOSZUSTFCGAO-IAGOWNOFSA-N 1 2 370.497 2.594 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCc4nc[nH]c4C34CCC4)C2=O)cc1 ZINC000931680180 1020549952 /nfs/dbraw/zinc/54/99/52/1020549952.db2.gz PXDGCRRSFAQNBP-SFHVURJKSA-N 1 2 361.449 2.714 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCc4nc[nH]c4C34CCC4)C2=O)cc1 ZINC000931680180 1020549955 /nfs/dbraw/zinc/54/99/55/1020549955.db2.gz PXDGCRRSFAQNBP-SFHVURJKSA-N 1 2 361.449 2.714 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cncnc1C1CC1 ZINC001096457900 1020653009 /nfs/dbraw/zinc/65/30/09/1020653009.db2.gz AIJYJKASWKUDHL-GIVPXCGWSA-N 1 2 372.472 2.741 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cncnc1C1CC1 ZINC001096457900 1020653014 /nfs/dbraw/zinc/65/30/14/1020653014.db2.gz AIJYJKASWKUDHL-GIVPXCGWSA-N 1 2 372.472 2.741 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(CO)(C(F)(F)F)CC3)o2)c1 ZINC000932825312 1020909351 /nfs/dbraw/zinc/90/93/51/1020909351.db2.gz NAZJUXVNFPVQHG-UHFFFAOYSA-N 1 2 366.343 2.745 20 30 FFEDLO CCn1c[nH+]c2c1CCN([C@H](C)C(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000933259625 1020985215 /nfs/dbraw/zinc/98/52/15/1020985215.db2.gz QNTWWWKBFZJVDD-GFCCVEGCSA-N 1 2 369.494 2.710 20 30 FFEDLO CCOC(=O)CCC1CC[NH+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)CC1 ZINC000749552292 1021005141 /nfs/dbraw/zinc/00/51/41/1021005141.db2.gz ULPXGVNVIPFXFB-LJQANCHMSA-N 1 2 358.438 2.828 20 30 FFEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)nc1-c1ccncc1 ZINC000749798485 1021036889 /nfs/dbraw/zinc/03/68/89/1021036889.db2.gz IPDVDXPWJASLPZ-DLBZAZTESA-N 1 2 371.510 2.978 20 30 FFEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)nc1-c1ccncc1 ZINC000749798485 1021036897 /nfs/dbraw/zinc/03/68/97/1021036897.db2.gz IPDVDXPWJASLPZ-DLBZAZTESA-N 1 2 371.510 2.978 20 30 FFEDLO COc1ccc(CNC(=O)[C@H](C)[N@H+](C)Cc2cc(C#N)cs2)cc1OC ZINC000933778730 1021089029 /nfs/dbraw/zinc/08/90/29/1021089029.db2.gz RFWIXQYKWWKURC-ZDUSSCGKSA-N 1 2 373.478 2.774 20 30 FFEDLO COc1ccc(CNC(=O)[C@H](C)[N@@H+](C)Cc2cc(C#N)cs2)cc1OC ZINC000933778730 1021089035 /nfs/dbraw/zinc/08/90/35/1021089035.db2.gz RFWIXQYKWWKURC-ZDUSSCGKSA-N 1 2 373.478 2.774 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)C(C)C ZINC001111072821 1021195898 /nfs/dbraw/zinc/19/58/98/1021195898.db2.gz VACXTPQDMDSOAU-ZACQAIPSSA-N 1 2 370.559 2.524 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)C(C)C ZINC001111072821 1021195903 /nfs/dbraw/zinc/19/59/03/1021195903.db2.gz VACXTPQDMDSOAU-ZACQAIPSSA-N 1 2 370.559 2.524 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nncn3-c3ccccc3)[C@H]2C1 ZINC001222432456 1032968644 /nfs/dbraw/zinc/96/86/44/1032968644.db2.gz PEXNPVBCHWCAOP-MJGOQNOKSA-N 1 2 365.481 2.656 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nncn3-c3ccccc3)[C@H]2C1 ZINC001222432456 1032968647 /nfs/dbraw/zinc/96/86/47/1032968647.db2.gz PEXNPVBCHWCAOP-MJGOQNOKSA-N 1 2 365.481 2.656 20 30 FFEDLO C#C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000934509875 1021268210 /nfs/dbraw/zinc/26/82/10/1021268210.db2.gz RFDVZEXOWVMYPU-CQSZACIVSA-N 1 2 357.410 2.750 20 30 FFEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000934509875 1021268222 /nfs/dbraw/zinc/26/82/22/1021268222.db2.gz RFDVZEXOWVMYPU-CQSZACIVSA-N 1 2 357.410 2.750 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cnn(CC)n2)C3)CC1 ZINC001099011820 1021589008 /nfs/dbraw/zinc/58/90/08/1021589008.db2.gz FGQGFFQCSQFJGD-PXNSSMCTSA-N 1 2 357.502 2.515 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cnn(CC)n2)C3)CC1 ZINC001099011820 1021589014 /nfs/dbraw/zinc/58/90/14/1021589014.db2.gz FGQGFFQCSQFJGD-PXNSSMCTSA-N 1 2 357.502 2.515 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC001015726488 1021941657 /nfs/dbraw/zinc/94/16/57/1021941657.db2.gz NVVZAUFNASCNQR-KSZLIROESA-N 1 2 367.449 2.623 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC001015726488 1021941665 /nfs/dbraw/zinc/94/16/65/1021941665.db2.gz NVVZAUFNASCNQR-KSZLIROESA-N 1 2 367.449 2.623 20 30 FFEDLO C[C@@H]1C[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001099291563 1022235815 /nfs/dbraw/zinc/23/58/15/1022235815.db2.gz SQYSGZRXNDNXKI-HMTTWLPMSA-N 1 2 369.362 2.832 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nccn2C)C1 ZINC001099302272 1022259306 /nfs/dbraw/zinc/25/93/06/1022259306.db2.gz NIVLTFODZKYKSS-XJKCOSOUSA-N 1 2 358.408 2.501 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001222547626 1033044771 /nfs/dbraw/zinc/04/47/71/1033044771.db2.gz SJVRMXPEOALNFI-WBVHZDCISA-N 1 2 356.470 2.563 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001222547626 1033044782 /nfs/dbraw/zinc/04/47/82/1033044782.db2.gz SJVRMXPEOALNFI-WBVHZDCISA-N 1 2 356.470 2.563 20 30 FFEDLO N#Cc1ccccc1OCC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000157962244 1022468444 /nfs/dbraw/zinc/46/84/44/1022468444.db2.gz MSMLPEJSUHVVQC-UXHICEINSA-N 1 2 352.434 2.762 20 30 FFEDLO N#Cc1ccccc1OCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000157962244 1022468453 /nfs/dbraw/zinc/46/84/53/1022468453.db2.gz MSMLPEJSUHVVQC-UXHICEINSA-N 1 2 352.434 2.762 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+](Cc3nc(Br)cs3)C2)C1=O ZINC001137776116 1033057450 /nfs/dbraw/zinc/05/74/50/1033057450.db2.gz AUNWPTWFLMVIBH-HNNXBMFYSA-N 1 2 370.316 2.906 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+](Cc3nc(Br)cs3)C2)C1=O ZINC001137776116 1033057463 /nfs/dbraw/zinc/05/74/63/1033057463.db2.gz AUNWPTWFLMVIBH-HNNXBMFYSA-N 1 2 370.316 2.906 20 30 FFEDLO NC(=[NH+]OCC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccc2c(c1)CCO2 ZINC000158171170 1022485103 /nfs/dbraw/zinc/48/51/03/1022485103.db2.gz CORGKYMOTNLMCQ-FQEVSTJZSA-N 1 2 365.433 2.526 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(F)c1 ZINC001039923582 1022787401 /nfs/dbraw/zinc/78/74/01/1022787401.db2.gz XYVRVEQRWUTCPL-WCIQWLHISA-N 1 2 358.457 2.982 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(F)c1 ZINC001039923582 1022787414 /nfs/dbraw/zinc/78/74/14/1022787414.db2.gz XYVRVEQRWUTCPL-WCIQWLHISA-N 1 2 358.457 2.982 20 30 FFEDLO CCC1=C(Oc2ccc(C[C@H]([NH3+])C(=O)OC(C)(C)C)cc2)C(=O)[C@H](C)O1 ZINC001218286466 1033085496 /nfs/dbraw/zinc/08/54/96/1033085496.db2.gz JUIJTGCQVHRXID-WFASDCNBSA-N 1 2 361.438 2.886 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@@H](CC)C1 ZINC001122478124 1023294566 /nfs/dbraw/zinc/29/45/66/1023294566.db2.gz AJBQNDJBPZRDPX-QGZVFWFLSA-N 1 2 361.534 2.685 20 30 FFEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000189733218 1023331358 /nfs/dbraw/zinc/33/13/58/1023331358.db2.gz SYTHBQTYPCEAGV-MRXNPFEDSA-N 1 2 359.351 2.847 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001122609144 1023366921 /nfs/dbraw/zinc/36/69/21/1023366921.db2.gz HOCTWZSBGITLDH-JKSUJKDBSA-N 1 2 363.469 2.505 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(C#N)CC1 ZINC001122626713 1023376630 /nfs/dbraw/zinc/37/66/30/1023376630.db2.gz AMZATIPXKYMADX-QZTJIDSGSA-N 1 2 370.501 2.520 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(C#N)CC1 ZINC001122626713 1023376639 /nfs/dbraw/zinc/37/66/39/1023376639.db2.gz AMZATIPXKYMADX-QZTJIDSGSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCN(c1nnc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC(=C)C)C1CC1 ZINC001122627514 1023377506 /nfs/dbraw/zinc/37/75/06/1023377506.db2.gz XPRBSZMTQOCHJO-ZWKOTPCHSA-N 1 2 357.502 2.935 20 30 FFEDLO C=CCN(c1nnc([C@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC(=C)C)C1CC1 ZINC001122627514 1023377510 /nfs/dbraw/zinc/37/75/10/1023377510.db2.gz XPRBSZMTQOCHJO-ZWKOTPCHSA-N 1 2 357.502 2.935 20 30 FFEDLO N#C[C@H](C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(F)n1 ZINC001122632175 1023380651 /nfs/dbraw/zinc/38/06/51/1023380651.db2.gz QYXWWTZNYZGSBP-LBPRGKRZSA-N 1 2 351.297 2.805 20 30 FFEDLO CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000753930117 1023400407 /nfs/dbraw/zinc/40/04/07/1023400407.db2.gz VGIREYNALXFDQY-ZIAGYGMSSA-N 1 2 374.401 2.704 20 30 FFEDLO Cc1nn(-c2ccc(F)cc2)c(C)c1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753937662 1023402527 /nfs/dbraw/zinc/40/25/27/1023402527.db2.gz YOBCBFNXQOJJAN-ROUUACIJSA-N 1 2 354.433 2.822 20 30 FFEDLO CCCCCC[C@H](CC)C(=O)N1CCO[C@@H]2C[N@H+](CC#CCOC)C[C@@H]21 ZINC001218428244 1033151283 /nfs/dbraw/zinc/15/12/83/1033151283.db2.gz AQWNIDIIRYAZOJ-SLFFLAALSA-N 1 2 364.530 2.544 20 30 FFEDLO CCCCCC[C@H](CC)C(=O)N1CCO[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]21 ZINC001218428244 1033151293 /nfs/dbraw/zinc/15/12/93/1033151293.db2.gz AQWNIDIIRYAZOJ-SLFFLAALSA-N 1 2 364.530 2.544 20 30 FFEDLO N#C[C@@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2C[C@@H]2CCCCO2)C1 ZINC001123199634 1023682889 /nfs/dbraw/zinc/68/28/89/1023682889.db2.gz AUKBZJHRKUIFCB-ROUUACIJSA-N 1 2 372.517 2.573 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(CCC)Cc1ccccc1F ZINC001121609544 1023878578 /nfs/dbraw/zinc/87/85/78/1023878578.db2.gz MGTYJQYIDYOLQO-AEFFLSMTSA-N 1 2 373.476 2.757 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(CCC)Cc1ccccc1F ZINC001121609544 1023878583 /nfs/dbraw/zinc/87/85/83/1023878583.db2.gz MGTYJQYIDYOLQO-AEFFLSMTSA-N 1 2 373.476 2.757 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)[C@H](C)c1ccccc1F ZINC001121609271 1023879328 /nfs/dbraw/zinc/87/93/28/1023879328.db2.gz KGVZOGJAVGLZKB-KEYYUXOJSA-N 1 2 359.449 2.538 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)[C@H](C)c1ccccc1F ZINC001121609271 1023879334 /nfs/dbraw/zinc/87/93/34/1023879334.db2.gz KGVZOGJAVGLZKB-KEYYUXOJSA-N 1 2 359.449 2.538 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)c1ccc(C)cc1 ZINC001121636582 1023894753 /nfs/dbraw/zinc/89/47/53/1023894753.db2.gz ZVDLMTYTZKWHTF-UHFFFAOYSA-N 1 2 355.486 2.745 20 30 FFEDLO CCNc1cc(CNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc[nH+]1 ZINC001123621030 1023905527 /nfs/dbraw/zinc/90/55/27/1023905527.db2.gz DIFABXQYBKPVAS-GOSISDBHSA-N 1 2 365.437 2.668 20 30 FFEDLO C=C(C)CN1c2ccccc2C2(CC[NH+]([C@@H](C)C(=O)OCC)CC2)C1=O ZINC001276844514 1033173880 /nfs/dbraw/zinc/17/38/80/1033173880.db2.gz PBZJMRIVXHFTMN-INIZCTEOSA-N 1 2 356.466 2.895 20 30 FFEDLO Cc1ccn(C[NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)c(=O)c1C#N ZINC000758221180 1023975801 /nfs/dbraw/zinc/97/58/01/1023975801.db2.gz WEIJIAPIFYMJMC-OAHLLOKOSA-N 1 2 374.485 2.611 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1c1nccs1)C2 ZINC001095815014 1023988013 /nfs/dbraw/zinc/98/80/13/1023988013.db2.gz SFDLUUNNFCLBGR-CBBWQLFWSA-N 1 2 366.918 2.586 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1c1nccs1)C2 ZINC001095815014 1023988028 /nfs/dbraw/zinc/98/80/28/1023988028.db2.gz SFDLUUNNFCLBGR-CBBWQLFWSA-N 1 2 366.918 2.586 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001101248669 1024184471 /nfs/dbraw/zinc/18/44/71/1024184471.db2.gz OKZOYMLGTBWEDQ-NQIIRXRSSA-N 1 2 371.529 2.908 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001101248669 1024184478 /nfs/dbraw/zinc/18/44/78/1024184478.db2.gz OKZOYMLGTBWEDQ-NQIIRXRSSA-N 1 2 371.529 2.908 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)o3)C[C@@]2(C)C1 ZINC001101251926 1024196545 /nfs/dbraw/zinc/19/65/45/1024196545.db2.gz RQUCBAKUIBCPNU-QRWLVFNGSA-N 1 2 358.486 2.830 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)o3)C[C@@]2(C)C1 ZINC001101251926 1024196550 /nfs/dbraw/zinc/19/65/50/1024196550.db2.gz RQUCBAKUIBCPNU-QRWLVFNGSA-N 1 2 358.486 2.830 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101333258 1024476713 /nfs/dbraw/zinc/47/67/13/1024476713.db2.gz NJYVATBRCHDQJP-IERDGZPVSA-N 1 2 371.529 2.576 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101333258 1024476718 /nfs/dbraw/zinc/47/67/18/1024476718.db2.gz NJYVATBRCHDQJP-IERDGZPVSA-N 1 2 371.529 2.576 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101337620 1024486522 /nfs/dbraw/zinc/48/65/22/1024486522.db2.gz GPZAKGLEFLASCA-QINHECLXSA-N 1 2 359.518 2.811 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101337620 1024486531 /nfs/dbraw/zinc/48/65/31/1024486531.db2.gz GPZAKGLEFLASCA-QINHECLXSA-N 1 2 359.518 2.811 20 30 FFEDLO C=CCCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cc(F)ccc3OC)C[C@@H]21 ZINC001218558037 1033220181 /nfs/dbraw/zinc/22/01/81/1033220181.db2.gz RFMVFEGKBHINIE-PKOBYXMFSA-N 1 2 362.445 2.602 20 30 FFEDLO C=CCCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3cc(F)ccc3OC)C[C@@H]21 ZINC001218558037 1033220191 /nfs/dbraw/zinc/22/01/91/1033220191.db2.gz RFMVFEGKBHINIE-PKOBYXMFSA-N 1 2 362.445 2.602 20 30 FFEDLO CCOc1ccc(-c2noc(CO[NH+]=C(N)c3ccc(OC)cc3)n2)cc1 ZINC000081079163 1024754466 /nfs/dbraw/zinc/75/44/66/1024754466.db2.gz PUADOBUWTAGEIA-UHFFFAOYSA-N 1 2 368.393 2.981 20 30 FFEDLO C=C[C@@H](CC(=O)N1C[C@H]2C[N@H+](Cc3cnon3)C[C@@]2(C)C1)c1ccccc1 ZINC001101471346 1024827548 /nfs/dbraw/zinc/82/75/48/1024827548.db2.gz MPXLIFZZSPSHPC-CDXJDZJCSA-N 1 2 366.465 2.710 20 30 FFEDLO C=C[C@@H](CC(=O)N1C[C@H]2C[N@@H+](Cc3cnon3)C[C@@]2(C)C1)c1ccccc1 ZINC001101471346 1024827568 /nfs/dbraw/zinc/82/75/68/1024827568.db2.gz MPXLIFZZSPSHPC-CDXJDZJCSA-N 1 2 366.465 2.710 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000952759203 1025140017 /nfs/dbraw/zinc/14/00/17/1025140017.db2.gz DJSRIXGBOATWMY-YYIAUSFCSA-N 1 2 370.497 2.707 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000952759203 1025140020 /nfs/dbraw/zinc/14/00/20/1025140020.db2.gz DJSRIXGBOATWMY-YYIAUSFCSA-N 1 2 370.497 2.707 20 30 FFEDLO C#CC[N@@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)Cc1ccccc1 ZINC000796639976 1025372862 /nfs/dbraw/zinc/37/28/62/1025372862.db2.gz RHDXGBSRJHTAFX-NRFANRHFSA-N 1 2 361.489 2.765 20 30 FFEDLO C#CC[N@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)Cc1ccccc1 ZINC000796639976 1025372875 /nfs/dbraw/zinc/37/28/75/1025372875.db2.gz RHDXGBSRJHTAFX-NRFANRHFSA-N 1 2 361.489 2.765 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3sc(N)c(C#N)c3Cl)C[C@@H]21 ZINC001141113528 1025474906 /nfs/dbraw/zinc/47/49/06/1025474906.db2.gz JCXNCQQSEFXMEC-ONGXEEELSA-N 1 2 368.890 2.906 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3sc(N)c(C#N)c3Cl)C[C@@H]21 ZINC001141113528 1025474907 /nfs/dbraw/zinc/47/49/07/1025474907.db2.gz JCXNCQQSEFXMEC-ONGXEEELSA-N 1 2 368.890 2.906 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ncnn2CC(C)C)C[C@H]1C ZINC001102260819 1025657434 /nfs/dbraw/zinc/65/74/34/1025657434.db2.gz DWYWBKQCYSJDNH-KZNAEPCWSA-N 1 2 361.534 2.721 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ncnn2CC(C)C)C[C@H]1C ZINC001102260819 1025657438 /nfs/dbraw/zinc/65/74/38/1025657438.db2.gz DWYWBKQCYSJDNH-KZNAEPCWSA-N 1 2 361.534 2.721 20 30 FFEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000245989406 1025675899 /nfs/dbraw/zinc/67/58/99/1025675899.db2.gz IBNYNXVJHKEDCM-WOJBJXKFSA-N 1 2 352.434 2.698 20 30 FFEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000245989406 1025675906 /nfs/dbraw/zinc/67/59/06/1025675906.db2.gz IBNYNXVJHKEDCM-WOJBJXKFSA-N 1 2 352.434 2.698 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@@H+](Cc3nn(C)cc3Cl)C[C@H]2C)C1 ZINC001102349799 1025787848 /nfs/dbraw/zinc/78/78/48/1025787848.db2.gz UOCXNUWJUVLMLF-ZIAGYGMSSA-N 1 2 350.894 2.614 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@H+](Cc3nn(C)cc3Cl)C[C@H]2C)C1 ZINC001102349799 1025787866 /nfs/dbraw/zinc/78/78/66/1025787866.db2.gz UOCXNUWJUVLMLF-ZIAGYGMSSA-N 1 2 350.894 2.614 20 30 FFEDLO C#CCC1(C(=O)NC[C@@H]2C[N@@H+](Cc3cnsn3)C[C@H]2C)CCCCC1 ZINC001102607597 1026418954 /nfs/dbraw/zinc/41/89/54/1026418954.db2.gz MHESSEMVPZLVEV-HZPDHXFCSA-N 1 2 360.527 2.696 20 30 FFEDLO C#CCC1(C(=O)NC[C@@H]2C[N@H+](Cc3cnsn3)C[C@H]2C)CCCCC1 ZINC001102607597 1026418959 /nfs/dbraw/zinc/41/89/59/1026418959.db2.gz MHESSEMVPZLVEV-HZPDHXFCSA-N 1 2 360.527 2.696 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ncccn2)c(OC)c1 ZINC000639838286 1026491901 /nfs/dbraw/zinc/49/19/01/1026491901.db2.gz DTSFGSLVOFFWDY-MSOLQXFVSA-N 1 2 369.465 2.791 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2ncccn2)c(OC)c1 ZINC000639838286 1026491907 /nfs/dbraw/zinc/49/19/07/1026491907.db2.gz DTSFGSLVOFFWDY-MSOLQXFVSA-N 1 2 369.465 2.791 20 30 FFEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OC ZINC000839168601 1026609406 /nfs/dbraw/zinc/60/94/06/1026609406.db2.gz LNWCXMHHHOIPPQ-VVLHAWIVSA-N 1 2 364.486 2.709 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCCN(c2cc(N(CCC)CCC)[nH+]cn2)C1 ZINC001158911704 1027186189 /nfs/dbraw/zinc/18/61/89/1027186189.db2.gz SZFLRZAPGZQSOO-INIZCTEOSA-N 1 2 361.490 2.984 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCCN(c2cc(N(CCC)CCC)nc[nH+]2)C1 ZINC001158911704 1027186193 /nfs/dbraw/zinc/18/61/93/1027186193.db2.gz SZFLRZAPGZQSOO-INIZCTEOSA-N 1 2 361.490 2.984 20 30 FFEDLO COc1ccnc(OC2CC[NH+](Cc3ccc(C#N)c(SC)n3)CC2)n1 ZINC001141945691 1027199330 /nfs/dbraw/zinc/19/93/30/1027199330.db2.gz JELZFDRMLZHWBN-UHFFFAOYSA-N 1 2 371.466 2.517 20 30 FFEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1nc(-c2cccs2)ccc1C#N ZINC001160695529 1027808219 /nfs/dbraw/zinc/80/82/19/1027808219.db2.gz FYKZJKMMXNYXQT-HNNXBMFYSA-N 1 2 367.434 2.611 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1coc(C2CC2)n1 ZINC001153441680 1027881992 /nfs/dbraw/zinc/88/19/92/1027881992.db2.gz JVWBEDUTAAOTRF-OLMNPRSZSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1coc(C2CC2)n1 ZINC001153441680 1027882005 /nfs/dbraw/zinc/88/20/05/1027882005.db2.gz JVWBEDUTAAOTRF-OLMNPRSZSA-N 1 2 361.486 2.860 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cnsn2)C[C@H]1CCNC(=O)CC#Cc1ccccc1 ZINC001103744756 1028120291 /nfs/dbraw/zinc/12/02/91/1028120291.db2.gz PYTIOMPKUYXEHS-SJLPKXTDSA-N 1 2 368.506 2.554 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cnsn2)C[C@H]1CCNC(=O)CC#Cc1ccccc1 ZINC001103744756 1028120293 /nfs/dbraw/zinc/12/02/93/1028120293.db2.gz PYTIOMPKUYXEHS-SJLPKXTDSA-N 1 2 368.506 2.554 20 30 FFEDLO C=CCCOCC(=O)NCC[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001103767824 1028171600 /nfs/dbraw/zinc/17/16/00/1028171600.db2.gz GXGZTBMQAKYKGJ-ZIAGYGMSSA-N 1 2 371.934 2.963 20 30 FFEDLO C=CCCOCC(=O)NCC[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001103767824 1028171606 /nfs/dbraw/zinc/17/16/06/1028171606.db2.gz GXGZTBMQAKYKGJ-ZIAGYGMSSA-N 1 2 371.934 2.963 20 30 FFEDLO COc1ccc(Cn2c[nH+]cc2CNc2ncc3c(C#N)c[nH]c3n2)cc1 ZINC001161509515 1028207489 /nfs/dbraw/zinc/20/74/89/1028207489.db2.gz BNEQTSPDODMFBI-UHFFFAOYSA-N 1 2 359.393 2.695 20 30 FFEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCCN2CCCCC2=O)[nH+]1 ZINC001161937349 1028369762 /nfs/dbraw/zinc/36/97/62/1028369762.db2.gz OBWOWESYIJEKOJ-WUGCZOJMSA-N 1 2 364.515 2.696 20 30 FFEDLO CCc1ccc(N2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1Cl ZINC000796138473 1028494454 /nfs/dbraw/zinc/49/44/54/1028494454.db2.gz FBDDATNFRWIROH-OAHLLOKOSA-N 1 2 374.916 2.975 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)CC1 ZINC001155036136 1028553773 /nfs/dbraw/zinc/55/37/73/1028553773.db2.gz KBYJLSYVPZSVTB-UHFFFAOYSA-N 1 2 371.481 2.928 20 30 FFEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1CC[NH2+]CCC(F)(F)F ZINC001104217175 1028670303 /nfs/dbraw/zinc/67/03/03/1028670303.db2.gz HSTNJIDQEJAOPK-OPRDCNLKSA-N 1 2 352.294 2.913 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1CC[NH2+]CCC(F)(F)F ZINC001104217175 1028670329 /nfs/dbraw/zinc/67/03/29/1028670329.db2.gz HSTNJIDQEJAOPK-OPRDCNLKSA-N 1 2 352.294 2.913 20 30 FFEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001155360317 1028694936 /nfs/dbraw/zinc/69/49/36/1028694936.db2.gz IOTVXSPLNOCYCQ-XEKGUZQTSA-N 1 2 359.445 2.591 20 30 FFEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001155360317 1028694948 /nfs/dbraw/zinc/69/49/48/1028694948.db2.gz IOTVXSPLNOCYCQ-XEKGUZQTSA-N 1 2 359.445 2.591 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)s1 ZINC000780948203 1028887649 /nfs/dbraw/zinc/88/76/49/1028887649.db2.gz RRTGZTVOFNPYGG-IBGZPJMESA-N 1 2 369.490 2.560 20 30 FFEDLO [NH2+]=C(Nc1cc([N+](=O)[O-])c2nncn2c1)c1ccc(C(F)(F)F)cc1 ZINC001163683769 1029024001 /nfs/dbraw/zinc/02/40/01/1029024001.db2.gz HLYSWCDWYRQEQW-UHFFFAOYSA-N 1 2 350.260 2.693 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc([C@@H](C)OCC)no1)C2 ZINC001111648681 1029043924 /nfs/dbraw/zinc/04/39/24/1029043924.db2.gz JFQIOGJTIXLSCN-VCBZYWHSSA-N 1 2 362.474 2.604 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc([C@@H](C)OCC)no1)C2 ZINC001111648681 1029043931 /nfs/dbraw/zinc/04/39/31/1029043931.db2.gz JFQIOGJTIXLSCN-VCBZYWHSSA-N 1 2 362.474 2.604 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC(C)(C)C)C1 ZINC001111714826 1029219327 /nfs/dbraw/zinc/21/93/27/1029219327.db2.gz ROOQRHUJNIRIHG-BBRMVZONSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC(C)(C)C)C1 ZINC001111714826 1029219339 /nfs/dbraw/zinc/21/93/39/1029219339.db2.gz ROOQRHUJNIRIHG-BBRMVZONSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc3n1CCCC3)C2 ZINC001111848738 1029613170 /nfs/dbraw/zinc/61/31/70/1029613170.db2.gz RJADHVSBKNMUQU-FIKGOQFSSA-N 1 2 371.529 2.687 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc3n1CCCC3)C2 ZINC001111848738 1029613174 /nfs/dbraw/zinc/61/31/74/1029613174.db2.gz RJADHVSBKNMUQU-FIKGOQFSSA-N 1 2 371.529 2.687 20 30 FFEDLO C=CC1(CC(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cnn(C)n2)C3)CCCCC1 ZINC001111901317 1029701141 /nfs/dbraw/zinc/70/11/41/1029701141.db2.gz AAVGIBILLQTHRS-UWJYYQICSA-N 1 2 371.529 2.812 20 30 FFEDLO C=CC1(CC(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cnn(C)n2)C3)CCCCC1 ZINC001111901317 1029701147 /nfs/dbraw/zinc/70/11/47/1029701147.db2.gz AAVGIBILLQTHRS-UWJYYQICSA-N 1 2 371.529 2.812 20 30 FFEDLO COc1cc(N2CCN(c3nc(C#N)c(Cl)cc3Cl)CC2)cc[nH+]1 ZINC001158098139 1029733531 /nfs/dbraw/zinc/73/35/31/1029733531.db2.gz MWGXZJYRQNISBU-UHFFFAOYSA-N 1 2 364.236 2.990 20 30 FFEDLO Cc1cc(CON=C(N)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1C#N ZINC000783043133 1029883295 /nfs/dbraw/zinc/88/32/95/1029883295.db2.gz UNGIYGHLMFZRFA-HXUWFJFHSA-N 1 2 364.449 2.766 20 30 FFEDLO Cc1cc(CON=C(N)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1C#N ZINC000783043133 1029883303 /nfs/dbraw/zinc/88/33/03/1029883303.db2.gz UNGIYGHLMFZRFA-HXUWFJFHSA-N 1 2 364.449 2.766 20 30 FFEDLO N#Cc1cc2c(nc1N1CCc3onc(Cn4cc[nH+]c4)c3C1)CCCC2 ZINC001165548481 1030019585 /nfs/dbraw/zinc/01/95/85/1030019585.db2.gz XQXMGMUBSLXQPI-UHFFFAOYSA-N 1 2 360.421 2.628 20 30 FFEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1c1cc(C#N)cc(Cl)n1 ZINC001165651361 1030066508 /nfs/dbraw/zinc/06/65/08/1030066508.db2.gz WVLAJVCHGVAVFY-OAHLLOKOSA-N 1 2 372.860 2.624 20 30 FFEDLO Cc1nc(Cl)nc(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c1C#N ZINC001165690879 1030086984 /nfs/dbraw/zinc/08/69/84/1030086984.db2.gz GYHQPEFTKUOFCK-AWEZNQCLSA-N 1 2 372.860 2.570 20 30 FFEDLO N#Cc1cc2nc(N3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)ccc2[nH]1 ZINC001165987744 1030191156 /nfs/dbraw/zinc/19/11/56/1030191156.db2.gz XLYDUXNUOIPGBV-UHFFFAOYSA-N 1 2 374.448 2.705 20 30 FFEDLO CN(C)C1=[NH+]OC2(C1)CCN(c1cc(C#C[Si](C)(C)C)ccn1)CC2 ZINC001166032012 1030214533 /nfs/dbraw/zinc/21/45/33/1030214533.db2.gz PMOBHDLUELMMSE-UHFFFAOYSA-N 1 2 356.546 2.945 20 30 FFEDLO Cc1cc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)cc(Cl)n1 ZINC000842024273 1030582231 /nfs/dbraw/zinc/58/22/31/1030582231.db2.gz LMJYNYAJJKEFER-UHFFFAOYSA-N 1 2 374.872 2.713 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1Cc1cccc(OCC)c1O ZINC001203608414 1030782847 /nfs/dbraw/zinc/78/28/47/1030782847.db2.gz OLLHJPZNBDUTGU-QGZVFWFLSA-N 1 2 372.469 2.704 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1Cc1cccc(OCC)c1O ZINC001203608414 1030782859 /nfs/dbraw/zinc/78/28/59/1030782859.db2.gz OLLHJPZNBDUTGU-QGZVFWFLSA-N 1 2 372.469 2.704 20 30 FFEDLO C[C@H](CCCNc1cccc(F)c1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001115086878 1031024143 /nfs/dbraw/zinc/02/41/43/1031024143.db2.gz BWGMLODSMBOJKS-RBSFLKMASA-N 1 2 369.444 2.931 20 30 FFEDLO CCOc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(O)c1 ZINC000798275537 1031354750 /nfs/dbraw/zinc/35/47/50/1031354750.db2.gz RUKPTLSALJQZDL-GDBMZVCRSA-N 1 2 361.442 2.640 20 30 FFEDLO CC(C)Sc1nccc(C[N@@H+]2CCC[C@]23CCN(CCCC#N)C3=O)n1 ZINC001276889517 1033438594 /nfs/dbraw/zinc/43/85/94/1033438594.db2.gz VACNDILGCUHMIG-LJQANCHMSA-N 1 2 373.526 2.848 20 30 FFEDLO CC(C)Sc1nccc(C[N@H+]2CCC[C@]23CCN(CCCC#N)C3=O)n1 ZINC001276889517 1033438599 /nfs/dbraw/zinc/43/85/99/1033438599.db2.gz VACNDILGCUHMIG-LJQANCHMSA-N 1 2 373.526 2.848 20 30 FFEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001219342689 1033604827 /nfs/dbraw/zinc/60/48/27/1033604827.db2.gz FFLPCFMFOSYLLI-IPELMVKDSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001219342689 1033604831 /nfs/dbraw/zinc/60/48/31/1033604831.db2.gz FFLPCFMFOSYLLI-IPELMVKDSA-N 1 2 362.901 2.679 20 30 FFEDLO N#CCC[NH+]1CCC2(C[C@H]2C(=O)NCCCOc2ccc(F)cc2)CC1 ZINC001276949144 1033731078 /nfs/dbraw/zinc/73/10/78/1033731078.db2.gz PPTBZYSOOMVWTR-SFHVURJKSA-N 1 2 359.445 2.727 20 30 FFEDLO N#CCC[NH+]1CCC2(CC1)c1ccccc1N(CC1CCOCC1)C2=O ZINC001276949931 1033734792 /nfs/dbraw/zinc/73/47/92/1033734792.db2.gz YXWOBOXKWAXKSD-UHFFFAOYSA-N 1 2 353.466 2.707 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc3ccccc3o2)C[C@@H]1O ZINC001219706777 1033776908 /nfs/dbraw/zinc/77/69/08/1033776908.db2.gz NWPJUDPTFZYWNJ-IMJJTQAJSA-N 1 2 357.454 2.652 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc3ccccc3o2)C[C@@H]1O ZINC001219706777 1033776923 /nfs/dbraw/zinc/77/69/23/1033776923.db2.gz NWPJUDPTFZYWNJ-IMJJTQAJSA-N 1 2 357.454 2.652 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001220147497 1034005437 /nfs/dbraw/zinc/00/54/37/1034005437.db2.gz CTUDPSOLYJQVPM-CABCVRRESA-N 1 2 356.388 2.579 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001220147497 1034005445 /nfs/dbraw/zinc/00/54/45/1034005445.db2.gz CTUDPSOLYJQVPM-CABCVRRESA-N 1 2 356.388 2.579 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O)CC(C)(C)C ZINC001220416021 1034160201 /nfs/dbraw/zinc/16/02/01/1034160201.db2.gz GTKGJDSXPRESTJ-XKQJLSEDSA-N 1 2 363.527 2.743 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O)CC(C)(C)C ZINC001220416021 1034160206 /nfs/dbraw/zinc/16/02/06/1034160206.db2.gz GTKGJDSXPRESTJ-XKQJLSEDSA-N 1 2 363.527 2.743 20 30 FFEDLO CCCCCCCC(=O)c1ccc(O)c(C(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC001220431464 1034173284 /nfs/dbraw/zinc/17/32/84/1034173284.db2.gz HKLVNLMKAIHEQG-INIZCTEOSA-N 1 2 362.470 2.654 20 30 FFEDLO C#CCOc1ccc(C[NH+]2CC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1OC ZINC001138343703 1034175002 /nfs/dbraw/zinc/17/50/02/1034175002.db2.gz OCPXLFBSSBVFPQ-UHFFFAOYSA-N 1 2 372.465 2.760 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001220437160 1034176637 /nfs/dbraw/zinc/17/66/37/1034176637.db2.gz XDCVCVWWZKVIHD-VUCTXSBTSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001220437160 1034176644 /nfs/dbraw/zinc/17/66/44/1034176644.db2.gz XDCVCVWWZKVIHD-VUCTXSBTSA-N 1 2 352.425 2.789 20 30 FFEDLO N#CCCCN1CC[C@]2(CC[N@H+](Cc3cc(Cl)c(O)cc3F)C2)C1=O ZINC001277057458 1034328579 /nfs/dbraw/zinc/32/85/79/1034328579.db2.gz QVSXGFAUNIWJBT-SFHVURJKSA-N 1 2 365.836 2.913 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](COC)C2)cc1 ZINC001138556522 1034407907 /nfs/dbraw/zinc/40/79/07/1034407907.db2.gz ZMNKVUYXVBVWBR-GOSISDBHSA-N 1 2 374.481 2.766 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](COC)C2)cc1 ZINC001138556522 1034407916 /nfs/dbraw/zinc/40/79/16/1034407916.db2.gz ZMNKVUYXVBVWBR-GOSISDBHSA-N 1 2 374.481 2.766 20 30 FFEDLO N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2cnc3cccc(Cl)n23)C1=O ZINC001277111503 1034594077 /nfs/dbraw/zinc/59/40/77/1034594077.db2.gz VWSGYUBYOUMUGB-LJQANCHMSA-N 1 2 371.872 2.858 20 30 FFEDLO N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cnc3cccc(Cl)n23)C1=O ZINC001277111503 1034594081 /nfs/dbraw/zinc/59/40/81/1034594081.db2.gz VWSGYUBYOUMUGB-LJQANCHMSA-N 1 2 371.872 2.858 20 30 FFEDLO CCCCOCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221462761 1034789009 /nfs/dbraw/zinc/78/90/09/1034789009.db2.gz CRTXEZLNEFZJMK-IEBWSBKVSA-N 1 2 359.445 2.547 20 30 FFEDLO CCCCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221462761 1034789024 /nfs/dbraw/zinc/78/90/24/1034789024.db2.gz CRTXEZLNEFZJMK-IEBWSBKVSA-N 1 2 359.445 2.547 20 30 FFEDLO COCC1(CC(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)CC1 ZINC001221538320 1034856845 /nfs/dbraw/zinc/85/68/45/1034856845.db2.gz WTVWCVRSJSMFON-VQIMIIECSA-N 1 2 371.456 2.547 20 30 FFEDLO COCC1(CC(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)CC1 ZINC001221538320 1034856859 /nfs/dbraw/zinc/85/68/59/1034856859.db2.gz WTVWCVRSJSMFON-VQIMIIECSA-N 1 2 371.456 2.547 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)cc3Cl)C[C@H]21 ZINC001221539041 1034856940 /nfs/dbraw/zinc/85/69/40/1034856940.db2.gz KEQNRNWQZBRXPT-DDUZABMNSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)cc3Cl)C[C@H]21 ZINC001221539041 1034856947 /nfs/dbraw/zinc/85/69/47/1034856947.db2.gz KEQNRNWQZBRXPT-DDUZABMNSA-N 1 2 364.848 2.550 20 30 FFEDLO C=CCOc1ccccc1C[N@H+]1Cc2ccnn2C[C@H](C(=O)NC(C)C)C1 ZINC001139028163 1034896209 /nfs/dbraw/zinc/89/62/09/1034896209.db2.gz OLKWYIFDYPYXIF-GOSISDBHSA-N 1 2 368.481 2.605 20 30 FFEDLO C=CCOc1ccccc1C[N@@H+]1Cc2ccnn2C[C@H](C(=O)NC(C)C)C1 ZINC001139028163 1034896213 /nfs/dbraw/zinc/89/62/13/1034896213.db2.gz OLKWYIFDYPYXIF-GOSISDBHSA-N 1 2 368.481 2.605 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4nc(C)c(C)s4)C[C@H]32)CCC1 ZINC001221611324 1034918302 /nfs/dbraw/zinc/91/83/02/1034918302.db2.gz WFLDGMCNYFFGEV-IAGOWNOFSA-N 1 2 357.523 2.986 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4nc(C)c(C)s4)C[C@H]32)CCC1 ZINC001221611324 1034918304 /nfs/dbraw/zinc/91/83/04/1034918304.db2.gz WFLDGMCNYFFGEV-IAGOWNOFSA-N 1 2 357.523 2.986 20 30 FFEDLO C=C(Cl)CN1CC[C@@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221636668 1034939691 /nfs/dbraw/zinc/93/96/91/1034939691.db2.gz WKHSXJZTITYHRY-BRWVUGGUSA-N 1 2 350.894 2.756 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cnc(OC)nc4C)C[C@H]32)CCC1 ZINC001221798036 1035078631 /nfs/dbraw/zinc/07/86/31/1035078631.db2.gz SJZUCMFAGGYKNB-SJLPKXTDSA-N 1 2 370.497 2.573 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cnc(OC)nc4C)C[C@H]32)CCC1 ZINC001221798036 1035078637 /nfs/dbraw/zinc/07/86/37/1035078637.db2.gz SJZUCMFAGGYKNB-SJLPKXTDSA-N 1 2 370.497 2.573 20 30 FFEDLO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH+]1CCN(CCC#N)CC1 ZINC001139869101 1035261492 /nfs/dbraw/zinc/26/14/92/1035261492.db2.gz QPVULAGPRAPZAK-UHFFFAOYSA-N 1 2 354.454 2.684 20 30 FFEDLO CO[C@H](C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)Cc1ccccc1 ZINC000834856093 1035464638 /nfs/dbraw/zinc/46/46/38/1035464638.db2.gz KQQWNUCKSMAOAA-SQNIBIBYSA-N 1 2 359.470 2.593 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cnc(-c4ccccc4F)nc3)CC2)c1 ZINC001140400357 1035465849 /nfs/dbraw/zinc/46/58/49/1035465849.db2.gz WORAFGMAWMFMSP-UHFFFAOYSA-N 1 2 374.423 2.872 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)cn1 ZINC001140542680 1035599629 /nfs/dbraw/zinc/59/96/29/1035599629.db2.gz DDGOMWUJYYCZMF-HHXXYDBFSA-N 1 2 370.478 2.606 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)cn1 ZINC001140542680 1035599638 /nfs/dbraw/zinc/59/96/38/1035599638.db2.gz DDGOMWUJYYCZMF-HHXXYDBFSA-N 1 2 370.478 2.606 20 30 FFEDLO C#CCN1C(=O)C2(CC[NH+](Cc3nnc(C)s3)CC2)[C@@H]1c1ccccc1 ZINC001277658048 1035640423 /nfs/dbraw/zinc/64/04/23/1035640423.db2.gz ORPQLPVQWYFPNA-SFHVURJKSA-N 1 2 366.490 2.645 20 30 FFEDLO Cc1cc(N2CC[NH+](Cc3cc(C#N)ccn3)CC2)n(-c2ccccc2)n1 ZINC001232480396 1035726768 /nfs/dbraw/zinc/72/67/68/1035726768.db2.gz VICDKIMBLFUDHZ-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO Cn1c(=O)c(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)c(Cl)c2ccccc21 ZINC001232642767 1035898932 /nfs/dbraw/zinc/89/89/32/1035898932.db2.gz RTFBGLBHNNSDJX-OAHLLOKOSA-N 1 2 360.866 2.966 20 30 FFEDLO Cn1c(=O)c(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c(Cl)c2ccccc21 ZINC001232642767 1035898944 /nfs/dbraw/zinc/89/89/44/1035898944.db2.gz RTFBGLBHNNSDJX-OAHLLOKOSA-N 1 2 360.866 2.966 20 30 FFEDLO CC(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@H+](Cc3cc(C#N)ccc3O)C2)O1 ZINC001232678092 1035934804 /nfs/dbraw/zinc/93/48/04/1035934804.db2.gz WEHQCVLYESJDIU-WIYYLYMNSA-N 1 2 371.481 2.550 20 30 FFEDLO CC(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@@H+](Cc3cc(C#N)ccc3O)C2)O1 ZINC001232678092 1035934823 /nfs/dbraw/zinc/93/48/23/1035934823.db2.gz WEHQCVLYESJDIU-WIYYLYMNSA-N 1 2 371.481 2.550 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)c1 ZINC001232678036 1035935174 /nfs/dbraw/zinc/93/51/74/1035935174.db2.gz UIIVXNUQPBBKMT-LJQANCHMSA-N 1 2 353.447 2.954 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)c1 ZINC001232678036 1035935185 /nfs/dbraw/zinc/93/51/85/1035935185.db2.gz UIIVXNUQPBBKMT-LJQANCHMSA-N 1 2 353.447 2.954 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)c1 ZINC001232677475 1035937676 /nfs/dbraw/zinc/93/76/76/1035937676.db2.gz LZIHTZAHAKTSRO-LJQANCHMSA-N 1 2 361.445 2.760 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(Cc3ccc(C#N)s3)CC2)cc1 ZINC001232843968 1036103042 /nfs/dbraw/zinc/10/30/42/1036103042.db2.gz IWELATANIOEZMX-UHFFFAOYSA-N 1 2 355.463 2.724 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3ccc(C(F)(F)F)o3)C2)OCC1=O ZINC001277735679 1036163941 /nfs/dbraw/zinc/16/39/41/1036163941.db2.gz WFRJTLIWRKMYTG-INIZCTEOSA-N 1 2 358.360 2.678 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)o3)C2)OCC1=O ZINC001277735679 1036163951 /nfs/dbraw/zinc/16/39/51/1036163951.db2.gz WFRJTLIWRKMYTG-INIZCTEOSA-N 1 2 358.360 2.678 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCc2onc(C(=O)N(C)C(C)C)c2C1 ZINC001233080447 1036328923 /nfs/dbraw/zinc/32/89/23/1036328923.db2.gz YLYGWWSWBOXTFM-UHFFFAOYSA-N 1 2 352.438 2.893 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@H+]1CCc2onc(C(=O)N(C)C(C)C)c2C1 ZINC001233080447 1036328939 /nfs/dbraw/zinc/32/89/39/1036328939.db2.gz YLYGWWSWBOXTFM-UHFFFAOYSA-N 1 2 352.438 2.893 20 30 FFEDLO CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c(F)c1C#N ZINC001233102997 1036351279 /nfs/dbraw/zinc/35/12/79/1036351279.db2.gz WCDYYPMJDQWVJM-WMLDXEAASA-N 1 2 374.460 2.814 20 30 FFEDLO CN(C)c1ccc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c(F)c1C#N ZINC001233102997 1036351298 /nfs/dbraw/zinc/35/12/98/1036351298.db2.gz WCDYYPMJDQWVJM-WMLDXEAASA-N 1 2 374.460 2.814 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)Oc1ccccc1/C=N/N=C/c1ccccc1O ZINC001229297324 1036601422 /nfs/dbraw/zinc/60/14/22/1036601422.db2.gz LZRVACWPIRDTIM-ZFZAROALSA-N 1 2 367.449 2.945 20 30 FFEDLO O=C1c2c(O)ccc(O[C@H]3C[NH+]4CCC3CC4)c2C(=O)C(Cl)=C1Cl ZINC001229378243 1036640445 /nfs/dbraw/zinc/64/04/45/1036640445.db2.gz JJBNMKVBJOJOOV-NSHDSACASA-N 1 2 368.216 2.933 20 30 FFEDLO N#Cc1cc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC001229526111 1036722763 /nfs/dbraw/zinc/72/27/63/1036722763.db2.gz SZZXQJCBZFOANZ-GOSISDBHSA-N 1 2 353.378 2.746 20 30 FFEDLO N#Cc1cc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC001229526111 1036722783 /nfs/dbraw/zinc/72/27/83/1036722783.db2.gz SZZXQJCBZFOANZ-GOSISDBHSA-N 1 2 353.378 2.746 20 30 FFEDLO Cc1nc(O[C@@H]2CCN(CC#N)C2)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229767597 1036880357 /nfs/dbraw/zinc/88/03/57/1036880357.db2.gz DTRLZWZOIXUZHF-QGZVFWFLSA-N 1 2 358.405 2.553 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[NH+]1CC2(C1)CN(CC=C(C)C)C(=O)CO2 ZINC001277840418 1036965761 /nfs/dbraw/zinc/96/57/61/1036965761.db2.gz FMPCDMFCNBOAMH-LJQANCHMSA-N 1 2 364.530 2.753 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCC1 ZINC001536691758 1070038739 /nfs/dbraw/zinc/03/87/39/1070038739.db2.gz SYUOAILMOOXFAS-OAGGEKHMSA-N 1 2 358.486 2.517 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCC1 ZINC001536691758 1070038749 /nfs/dbraw/zinc/03/87/49/1070038749.db2.gz SYUOAILMOOXFAS-OAGGEKHMSA-N 1 2 358.486 2.517 20 30 FFEDLO C#CCN1CC2(CCC1=O)CC[NH+](Cc1n[nH]c3ccc(F)cc13)CC2 ZINC001276508838 1037154624 /nfs/dbraw/zinc/15/46/24/1037154624.db2.gz DGIPRSAIKFWGQX-UHFFFAOYSA-N 1 2 354.429 2.540 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001207200785 1037240626 /nfs/dbraw/zinc/24/06/26/1037240626.db2.gz RLOJRMNPXKIQOI-RVKKMQEKSA-N 1 2 361.461 2.946 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001207200785 1037240636 /nfs/dbraw/zinc/24/06/36/1037240636.db2.gz RLOJRMNPXKIQOI-RVKKMQEKSA-N 1 2 361.461 2.946 20 30 FFEDLO CCOC(=O)c1coc(-c2ccc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@H+]4C)cc2)n1 ZINC001230690451 1037335314 /nfs/dbraw/zinc/33/53/14/1037335314.db2.gz DHVNSKDPWAVSHM-UEMTWOCFSA-N 1 2 370.405 2.510 20 30 FFEDLO CCOC(=O)c1coc(-c2ccc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@@H+]4C)cc2)n1 ZINC001230690451 1037335330 /nfs/dbraw/zinc/33/53/30/1037335330.db2.gz DHVNSKDPWAVSHM-UEMTWOCFSA-N 1 2 370.405 2.510 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCCN2c2nc(N3CCCC3)c(C)c[nH+]2)C1=O ZINC001277926658 1037401387 /nfs/dbraw/zinc/40/13/87/1037401387.db2.gz CWCUWAJOFXVBNI-HXUWFJFHSA-N 1 2 355.486 2.533 20 30 FFEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3cccc(C)c3s2)C1 ZINC001207746602 1037687541 /nfs/dbraw/zinc/68/75/41/1037687541.db2.gz DSMUIPAUMHSZAF-GDBMZVCRSA-N 1 2 371.506 2.562 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3cccc(C)c3s2)C1 ZINC001207746602 1037687547 /nfs/dbraw/zinc/68/75/47/1037687547.db2.gz DSMUIPAUMHSZAF-GDBMZVCRSA-N 1 2 371.506 2.562 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC001231618464 1037741446 /nfs/dbraw/zinc/74/14/46/1037741446.db2.gz ICNNYEKRSFSJDX-WAOWUJCRSA-N 1 2 365.433 2.773 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC001231618464 1037741455 /nfs/dbraw/zinc/74/14/55/1037741455.db2.gz ICNNYEKRSFSJDX-WAOWUJCRSA-N 1 2 365.433 2.773 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CC(=C)Br)C[C@H]1C ZINC001208129272 1038066356 /nfs/dbraw/zinc/06/63/56/1038066356.db2.gz PLWWZKZKQGAOQG-XPKDYRNWSA-N 1 2 359.308 2.560 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](CC(=C)Br)C[C@H]1C ZINC001208129272 1038066366 /nfs/dbraw/zinc/06/63/66/1038066366.db2.gz PLWWZKZKQGAOQG-XPKDYRNWSA-N 1 2 359.308 2.560 20 30 FFEDLO CC(=O)[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C#N)c(Cl)c1)CC2 ZINC001277596949 1038088493 /nfs/dbraw/zinc/08/84/93/1038088493.db2.gz RHRWLVIQVJEDMK-DYVFJYSZSA-N 1 2 373.884 2.907 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2c(O)ccc(Cl)c2Cl)C1=O ZINC001277992287 1038168708 /nfs/dbraw/zinc/16/87/08/1038168708.db2.gz GQZNUNATPAPNFS-KRWDZBQOSA-N 1 2 353.249 2.899 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCC[C@]23CCN(Cc2cnoc2)C3=O)c(C#N)c1 ZINC001278005235 1038235461 /nfs/dbraw/zinc/23/54/61/1038235461.db2.gz DWXYNSNNKLQKGX-HXUWFJFHSA-N 1 2 350.422 2.622 20 30 FFEDLO Cc1ccc(C[N@H+]2CCC[C@]23CCN(Cc2cnoc2)C3=O)c(C#N)c1 ZINC001278005235 1038235473 /nfs/dbraw/zinc/23/54/73/1038235473.db2.gz DWXYNSNNKLQKGX-HXUWFJFHSA-N 1 2 350.422 2.622 20 30 FFEDLO COC(=O)c1cc(F)cc(C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC001236772168 1038256976 /nfs/dbraw/zinc/25/69/76/1038256976.db2.gz CNOYHGOKQDAWIK-UHFFFAOYSA-N 1 2 353.397 2.806 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001208390723 1038277080 /nfs/dbraw/zinc/27/70/80/1038277080.db2.gz AYCXAORLOAMLPT-SQGPQFPESA-N 1 2 367.497 2.806 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001208390723 1038277090 /nfs/dbraw/zinc/27/70/90/1038277090.db2.gz AYCXAORLOAMLPT-SQGPQFPESA-N 1 2 367.497 2.806 20 30 FFEDLO C[C@@H]1C[NH+](C2CN(Cc3ccc(C#N)c(Br)c3)C2)C[C@@H](C)O1 ZINC001236861384 1038313443 /nfs/dbraw/zinc/31/34/43/1038313443.db2.gz SBQQQBWIJUXKOL-CHWSQXEVSA-N 1 2 364.287 2.614 20 30 FFEDLO CCOC(=O)c1cc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)[nH]n1 ZINC001237032071 1038413515 /nfs/dbraw/zinc/41/35/15/1038413515.db2.gz JDHANJVNGNUBGD-MRXNPFEDSA-N 1 2 354.410 2.501 20 30 FFEDLO CCOC(=O)c1cc(C[N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)[nH]n1 ZINC001237032071 1038413521 /nfs/dbraw/zinc/41/35/21/1038413521.db2.gz JDHANJVNGNUBGD-MRXNPFEDSA-N 1 2 354.410 2.501 20 30 FFEDLO COC1(CC(=O)N2CCC3(C[NH+](Cc4ccc(C#N)s4)C3)C2)CCC1 ZINC001278925977 1038466827 /nfs/dbraw/zinc/46/68/27/1038466827.db2.gz VYILWZAZOAGZEK-UHFFFAOYSA-N 1 2 359.495 2.613 20 30 FFEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3cc(F)c(F)cc3Cl)C2)OCC1=O ZINC001276575717 1038473916 /nfs/dbraw/zinc/47/39/16/1038473916.db2.gz LGRDKGHVGILWCT-QGZVFWFLSA-N 1 2 356.800 2.608 20 30 FFEDLO C=CCN1C[C@]2(CC[N@H+](Cc3cc(F)c(F)cc3Cl)C2)OCC1=O ZINC001276575717 1038473922 /nfs/dbraw/zinc/47/39/22/1038473922.db2.gz LGRDKGHVGILWCT-QGZVFWFLSA-N 1 2 356.800 2.608 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@H]2CN(Cc3cc(F)ccc3C#N)C[C@@H](C1)O2 ZINC001278939324 1038528954 /nfs/dbraw/zinc/52/89/54/1038528954.db2.gz LQKAQKJKAQMOGW-HDICACEKSA-N 1 2 372.469 2.548 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CN(Cc3cc(F)ccc3C#N)C[C@@H](C1)O2 ZINC001278939324 1038528964 /nfs/dbraw/zinc/52/89/64/1038528964.db2.gz LQKAQKJKAQMOGW-HDICACEKSA-N 1 2 372.469 2.548 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1CCCCOCc1ccccc1 ZINC001209252033 1038733942 /nfs/dbraw/zinc/73/39/42/1038733942.db2.gz CHIIUPZYCQGAQV-HXUWFJFHSA-N 1 2 370.497 2.914 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1CCCCOCc1ccccc1 ZINC001209252033 1038733947 /nfs/dbraw/zinc/73/39/47/1038733947.db2.gz CHIIUPZYCQGAQV-HXUWFJFHSA-N 1 2 370.497 2.914 20 30 FFEDLO N#Cc1cccc(C(=O)COC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001210369598 1039506503 /nfs/dbraw/zinc/50/65/03/1039506503.db2.gz SNCSNKPFZDSNIQ-HXUWFJFHSA-N 1 2 350.418 2.659 20 30 FFEDLO N#Cc1cccc(C(=O)COC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001210369598 1039506541 /nfs/dbraw/zinc/50/65/41/1039506541.db2.gz SNCSNKPFZDSNIQ-HXUWFJFHSA-N 1 2 350.418 2.659 20 30 FFEDLO CCCCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC001259110121 1039719984 /nfs/dbraw/zinc/71/99/84/1039719984.db2.gz QIZLFDFRVAACQD-UHFFFAOYSA-N 1 2 355.891 2.708 20 30 FFEDLO Cc1cc(C[NH+]2CC3(CN(Cc4cccc(Cl)c4C#N)C3)C2)n(C)n1 ZINC001278691648 1039947695 /nfs/dbraw/zinc/94/76/95/1039947695.db2.gz AUHJOXPNZTZBIL-UHFFFAOYSA-N 1 2 355.873 2.571 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)cc(C#N)c1 ZINC001278727551 1040215235 /nfs/dbraw/zinc/21/52/35/1040215235.db2.gz XRYFSDQQFPZXRQ-CALCHBBNSA-N 1 2 370.453 2.951 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)cc(C#N)c1 ZINC001278727551 1040215246 /nfs/dbraw/zinc/21/52/46/1040215246.db2.gz XRYFSDQQFPZXRQ-CALCHBBNSA-N 1 2 370.453 2.951 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)CC(C)=C(C)C ZINC001213285366 1040408887 /nfs/dbraw/zinc/40/88/87/1040408887.db2.gz PFAIOVPLFLASMM-RTBURBONSA-N 1 2 359.445 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)CC(C)=C(C)C ZINC001213285366 1040408895 /nfs/dbraw/zinc/40/88/95/1040408895.db2.gz PFAIOVPLFLASMM-RTBURBONSA-N 1 2 359.445 2.759 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213317675 1040443350 /nfs/dbraw/zinc/44/33/50/1040443350.db2.gz SJAXWPIGOBOBHW-NSISKUIASA-N 1 2 358.457 2.595 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213317675 1040443353 /nfs/dbraw/zinc/44/33/53/1040443353.db2.gz SJAXWPIGOBOBHW-NSISKUIASA-N 1 2 358.457 2.595 20 30 FFEDLO CCn1ccnc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(F)cc1C#N ZINC001278750312 1040459924 /nfs/dbraw/zinc/45/99/24/1040459924.db2.gz YXWLIWQNIOBLAG-OALUTQOASA-N 1 2 353.445 2.763 20 30 FFEDLO CCn1ccnc1C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(F)cc1C#N ZINC001278750312 1040459932 /nfs/dbraw/zinc/45/99/32/1040459932.db2.gz YXWLIWQNIOBLAG-OALUTQOASA-N 1 2 353.445 2.763 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C4CC4)no3)C[C@H]2OC)CCC1 ZINC001213397398 1040510316 /nfs/dbraw/zinc/51/03/16/1040510316.db2.gz LJYLECFWOIIJMJ-QZTJIDSGSA-N 1 2 359.470 2.614 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cc(C4CC4)no3)C[C@H]2OC)CCC1 ZINC001213397398 1040510334 /nfs/dbraw/zinc/51/03/34/1040510334.db2.gz LJYLECFWOIIJMJ-QZTJIDSGSA-N 1 2 359.470 2.614 20 30 FFEDLO N#Cc1ccc(O)c(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)c1 ZINC001213484881 1040597667 /nfs/dbraw/zinc/59/76/67/1040597667.db2.gz HHOXHOSPXABIFS-UHFFFAOYSA-N 1 2 357.385 2.858 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3ccns3)C[C@H]2OC)CCCCC1 ZINC001213561641 1040673772 /nfs/dbraw/zinc/67/37/72/1040673772.db2.gz HKKNAEPXHOMGNB-IAGOWNOFSA-N 1 2 363.527 2.985 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](Cc3ccns3)C[C@H]2OC)CCCCC1 ZINC001213561641 1040673779 /nfs/dbraw/zinc/67/37/79/1040673779.db2.gz HKKNAEPXHOMGNB-IAGOWNOFSA-N 1 2 363.527 2.985 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3ocnc3C)C[C@H]2OC)CCCCC1 ZINC001213561681 1040676964 /nfs/dbraw/zinc/67/69/64/1040676964.db2.gz JGKMQSBHPIRSAJ-SJLPKXTDSA-N 1 2 361.486 2.825 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](Cc3ocnc3C)C[C@H]2OC)CCCCC1 ZINC001213561681 1040676973 /nfs/dbraw/zinc/67/69/73/1040676973.db2.gz JGKMQSBHPIRSAJ-SJLPKXTDSA-N 1 2 361.486 2.825 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cn(C)nc1[C@@H](C)CC ZINC001249406651 1040732335 /nfs/dbraw/zinc/73/23/35/1040732335.db2.gz QYPUMXKVIMIPQQ-YJBOKZPZSA-N 1 2 357.502 2.969 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cn(C)nc1[C@@H](C)CC ZINC001249406651 1040732351 /nfs/dbraw/zinc/73/23/51/1040732351.db2.gz QYPUMXKVIMIPQQ-YJBOKZPZSA-N 1 2 357.502 2.969 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@H](C)C(C)(C)C ZINC001213781465 1040900772 /nfs/dbraw/zinc/90/07/72/1040900772.db2.gz PRWQIUZKJWQYDI-DFQSSKMNSA-N 1 2 356.510 2.926 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@H](C)C(C)(C)C ZINC001213781465 1040900794 /nfs/dbraw/zinc/90/07/94/1040900794.db2.gz PRWQIUZKJWQYDI-DFQSSKMNSA-N 1 2 356.510 2.926 20 30 FFEDLO CCC(C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213887761 1041027410 /nfs/dbraw/zinc/02/74/10/1041027410.db2.gz AYHJTZKPUHVHAW-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC(C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213887761 1041027422 /nfs/dbraw/zinc/02/74/22/1041027422.db2.gz AYHJTZKPUHVHAW-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1OC)c1ccccc1 ZINC001213900298 1041049626 /nfs/dbraw/zinc/04/96/26/1041049626.db2.gz WNZKXZGNJKPOQL-PWIZWCRZSA-N 1 2 369.465 2.658 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H]1OC)c1ccccc1 ZINC001213900298 1041049642 /nfs/dbraw/zinc/04/96/42/1041049642.db2.gz WNZKXZGNJKPOQL-PWIZWCRZSA-N 1 2 369.465 2.658 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cc(F)cc(N(C)C)c1)CC2 ZINC001249955168 1041074675 /nfs/dbraw/zinc/07/46/75/1041074675.db2.gz ZYKKDFDTJAFFRL-UHFFFAOYSA-N 1 2 358.461 2.886 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cc(F)cc(N(C)C)c1)CC2 ZINC001249955168 1041074692 /nfs/dbraw/zinc/07/46/92/1041074692.db2.gz ZYKKDFDTJAFFRL-UHFFFAOYSA-N 1 2 358.461 2.886 20 30 FFEDLO CCOc1cc(OC)ccc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC001250062480 1041108346 /nfs/dbraw/zinc/10/83/46/1041108346.db2.gz JQPJZVKIKYVGND-UHFFFAOYSA-N 1 2 352.438 2.683 20 30 FFEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@H]2C(=O)N(Cc3cccc(C)c3)CCO[C@H]2C1 ZINC001255172406 1041180456 /nfs/dbraw/zinc/18/04/56/1041180456.db2.gz OVFMIQBSKFABGG-ZCNNSNEGSA-N 1 2 355.482 2.737 20 30 FFEDLO CC[C@@H](CC#N)[N@H+]1CC[C@H]2C(=O)N(Cc3cccc(C)c3)CCO[C@H]2C1 ZINC001255172406 1041180459 /nfs/dbraw/zinc/18/04/59/1041180459.db2.gz OVFMIQBSKFABGG-ZCNNSNEGSA-N 1 2 355.482 2.737 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)n1C ZINC001262916871 1041958401 /nfs/dbraw/zinc/95/84/01/1041958401.db2.gz XHFSTJIKRRAFHT-RBUKOAKNSA-N 1 2 367.497 2.934 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc([C@H]2C[N@H+]3CCCC[C@H]3CO2)n1C ZINC001262916871 1041958408 /nfs/dbraw/zinc/95/84/08/1041958408.db2.gz XHFSTJIKRRAFHT-RBUKOAKNSA-N 1 2 367.497 2.934 20 30 FFEDLO C=CCn1c([C@@H](C)[C@H](O)CC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001262938126 1041975320 /nfs/dbraw/zinc/97/53/20/1041975320.db2.gz SQGVYBHPUVGEJE-DOTOQJQBSA-N 1 2 370.501 2.814 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC(CCC(C)C)CC1 ZINC001262947208 1041982099 /nfs/dbraw/zinc/98/20/99/1041982099.db2.gz HMGQPDYZWHYUSQ-MSOLQXFVSA-N 1 2 361.534 2.854 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC(CCC(C)C)CC1 ZINC001262947208 1041982102 /nfs/dbraw/zinc/98/21/02/1041982102.db2.gz HMGQPDYZWHYUSQ-MSOLQXFVSA-N 1 2 361.534 2.854 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC(CCC(C)C)CC1 ZINC001262947211 1041982275 /nfs/dbraw/zinc/98/22/75/1041982275.db2.gz HMGQPDYZWHYUSQ-ZWKOTPCHSA-N 1 2 361.534 2.854 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC(CCC(C)C)CC1 ZINC001262947211 1041982279 /nfs/dbraw/zinc/98/22/79/1041982279.db2.gz HMGQPDYZWHYUSQ-ZWKOTPCHSA-N 1 2 361.534 2.854 20 30 FFEDLO C[C@H](C#N)CN(C)c1nnc(C[NH+]2CCCC2)n1CCc1ccccc1 ZINC001263171182 1042147077 /nfs/dbraw/zinc/14/70/77/1042147077.db2.gz JNLLSRNWXNVMQI-QGZVFWFLSA-N 1 2 352.486 2.712 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1Cc2cccc(OC)c2C1 ZINC001263288099 1042223166 /nfs/dbraw/zinc/22/31/66/1042223166.db2.gz FXTACJBAQNPONZ-UHFFFAOYSA-N 1 2 364.453 2.707 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC001263316232 1042237191 /nfs/dbraw/zinc/23/71/91/1042237191.db2.gz PNXUSWPYCKHKJZ-GVDBMIGSSA-N 1 2 361.534 2.539 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2CCCOCC)C1 ZINC001263357970 1042259996 /nfs/dbraw/zinc/25/99/96/1042259996.db2.gz WAAVCGKXKYMQNQ-QZTJIDSGSA-N 1 2 359.518 2.711 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@H]3CCCC[N@H+]3C)n2CCCOCC)C1 ZINC001263357970 1042259998 /nfs/dbraw/zinc/25/99/98/1042259998.db2.gz WAAVCGKXKYMQNQ-QZTJIDSGSA-N 1 2 359.518 2.711 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1C[C@H]1CCCO1 ZINC001263437016 1042309201 /nfs/dbraw/zinc/30/92/01/1042309201.db2.gz ILUKABNGKOZGIY-RCCFBDPRSA-N 1 2 370.501 2.747 20 30 FFEDLO C=CCCCN(CC)c1nnc(Cc2[nH+]ccn2C)n1C[C@@H]1CCCCO1 ZINC001263585076 1042386670 /nfs/dbraw/zinc/38/66/70/1042386670.db2.gz LBDOXTPLZFKMGR-KRWDZBQOSA-N 1 2 372.517 2.964 20 30 FFEDLO C=CCN(C)c1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1CC1CC1 ZINC001263745341 1042463131 /nfs/dbraw/zinc/46/31/31/1042463131.db2.gz FRCRQFQSHRIHGN-IBGZPJMESA-N 1 2 367.497 2.884 20 30 FFEDLO C=CCN(C)c1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1CC1CC1 ZINC001263745341 1042463134 /nfs/dbraw/zinc/46/31/34/1042463134.db2.gz FRCRQFQSHRIHGN-IBGZPJMESA-N 1 2 367.497 2.884 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H](OC)C2CC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001264050136 1042598066 /nfs/dbraw/zinc/59/80/66/1042598066.db2.gz CDXRJEAJARMGQA-IPMKNSEASA-N 1 2 359.445 2.591 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H](OC)C2CC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001264050136 1042598069 /nfs/dbraw/zinc/59/80/69/1042598069.db2.gz CDXRJEAJARMGQA-IPMKNSEASA-N 1 2 359.445 2.591 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@H+](Cc2nnc3n2CCCC3)[C@@H]1CC ZINC001264061072 1042606064 /nfs/dbraw/zinc/60/60/64/1042606064.db2.gz XHQNJOFTUCRXMN-YESZJQIVSA-N 1 2 359.518 2.686 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](Cc2nnc3n2CCCC3)[C@@H]1CC ZINC001264061072 1042606066 /nfs/dbraw/zinc/60/60/66/1042606066.db2.gz XHQNJOFTUCRXMN-YESZJQIVSA-N 1 2 359.518 2.686 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nc(-c3ccco3)no2)[C@@H]1C ZINC001264156359 1042642092 /nfs/dbraw/zinc/64/20/92/1042642092.db2.gz UCJLRSCTIAICHK-CABCVRRESA-N 1 2 356.426 2.602 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(-c3ccco3)no2)[C@@H]1C ZINC001264156359 1042642094 /nfs/dbraw/zinc/64/20/94/1042642094.db2.gz UCJLRSCTIAICHK-CABCVRRESA-N 1 2 356.426 2.602 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](CCF)CC[C@@H]1c1ccc(F)cc1 ZINC001264596445 1042733296 /nfs/dbraw/zinc/73/32/96/1042733296.db2.gz VEDZOMCAHDAKQP-QZTJIDSGSA-N 1 2 352.425 2.662 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](CCF)CC[C@@H]1c1ccc(F)cc1 ZINC001264596445 1042733300 /nfs/dbraw/zinc/73/33/00/1042733300.db2.gz VEDZOMCAHDAKQP-QZTJIDSGSA-N 1 2 352.425 2.662 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4nc(C5CC5)no4)CC[C@@H]3C2)CCC1 ZINC001264652100 1042770944 /nfs/dbraw/zinc/77/09/44/1042770944.db2.gz TWRGARGVPSIESJ-SJORKVTESA-N 1 2 370.497 2.974 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@H+](Cc4nc(C5CC5)no4)CC[C@@H]3C2)CCC1 ZINC001264652100 1042770949 /nfs/dbraw/zinc/77/09/49/1042770949.db2.gz TWRGARGVPSIESJ-SJORKVTESA-N 1 2 370.497 2.974 20 30 FFEDLO C#CCCCCCC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccccc2)[C@@H]1C ZINC001264714251 1042796196 /nfs/dbraw/zinc/79/61/96/1042796196.db2.gz QWOQRKAIWYYXHQ-MJGOQNOKSA-N 1 2 355.482 2.788 20 30 FFEDLO C#CCCCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2)[C@@H]1C ZINC001264714251 1042796203 /nfs/dbraw/zinc/79/62/03/1042796203.db2.gz QWOQRKAIWYYXHQ-MJGOQNOKSA-N 1 2 355.482 2.788 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(OCCOC)cc2)[C@H]1C ZINC001264726426 1042806524 /nfs/dbraw/zinc/80/65/24/1042806524.db2.gz UQALYMUYSZYMPB-PBHICJAKSA-N 1 2 352.862 2.657 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(OCCOC)cc2)[C@H]1C ZINC001264726426 1042806527 /nfs/dbraw/zinc/80/65/27/1042806527.db2.gz UQALYMUYSZYMPB-PBHICJAKSA-N 1 2 352.862 2.657 20 30 FFEDLO N#Cc1c(F)cc(C[NH+]2CCC3(CN(Cc4cn[nH]c4)C3)CC2)cc1F ZINC001279311985 1042995522 /nfs/dbraw/zinc/99/55/22/1042995522.db2.gz GNONPXCHLGQGHR-UHFFFAOYSA-N 1 2 357.408 2.658 20 30 FFEDLO CCn1ccnc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cccc(C#N)c1Cl ZINC001279320094 1042999102 /nfs/dbraw/zinc/99/91/02/1042999102.db2.gz IYENALIYFPLXRV-CALCHBBNSA-N 1 2 355.873 2.887 20 30 FFEDLO CCn1ccnc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cccc(C#N)c1Cl ZINC001279320094 1042999103 /nfs/dbraw/zinc/99/91/03/1042999103.db2.gz IYENALIYFPLXRV-CALCHBBNSA-N 1 2 355.873 2.887 20 30 FFEDLO N#Cc1cc(C[NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)ccn1 ZINC001237465168 1043182927 /nfs/dbraw/zinc/18/29/27/1043182927.db2.gz YYOBNBZUWAJIJU-UHFFFAOYSA-N 1 2 356.433 2.732 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)ccn1 ZINC001237467285 1043184343 /nfs/dbraw/zinc/18/43/43/1043184343.db2.gz ZMPSDXZLROMRHO-HLAWJBBLSA-N 1 2 364.449 2.544 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)ccn1 ZINC001237467285 1043184350 /nfs/dbraw/zinc/18/43/50/1043184350.db2.gz ZMPSDXZLROMRHO-HLAWJBBLSA-N 1 2 364.449 2.544 20 30 FFEDLO N#Cc1ccc2nc(C[N@@H+]3CCc4nn(-c5ccccc5)cc4C3)cn2c1 ZINC001237607245 1043266313 /nfs/dbraw/zinc/26/63/13/1043266313.db2.gz UTQPTMJGTCZGAO-UHFFFAOYSA-N 1 2 354.417 2.950 20 30 FFEDLO N#Cc1ccc2nc(C[N@H+]3CCc4nn(-c5ccccc5)cc4C3)cn2c1 ZINC001237607245 1043266320 /nfs/dbraw/zinc/26/63/20/1043266320.db2.gz UTQPTMJGTCZGAO-UHFFFAOYSA-N 1 2 354.417 2.950 20 30 FFEDLO COc1cc(C[N@H+](C)Cc2cn3cc(C#N)ccc3n2)cc(OC)c1OC ZINC001237606005 1043266700 /nfs/dbraw/zinc/26/67/00/1043266700.db2.gz HPEAOPPAFSGXAD-UHFFFAOYSA-N 1 2 366.421 2.864 20 30 FFEDLO COc1cc(C[N@@H+](C)Cc2cn3cc(C#N)ccc3n2)cc(OC)c1OC ZINC001237606005 1043266714 /nfs/dbraw/zinc/26/67/14/1043266714.db2.gz HPEAOPPAFSGXAD-UHFFFAOYSA-N 1 2 366.421 2.864 20 30 FFEDLO COc1ccc(OC2CC[NH+](Cc3cn4cc(C#N)ccc4n3)CC2)nc1 ZINC001237612413 1043272199 /nfs/dbraw/zinc/27/21/99/1043272199.db2.gz XVCOFBRNFAUQMB-UHFFFAOYSA-N 1 2 363.421 2.653 20 30 FFEDLO N#Cc1ccc2nc(C[NH+]3CCC(Oc4ccc(Cl)nn4)CC3)cn2c1 ZINC001237616670 1043272989 /nfs/dbraw/zinc/27/29/89/1043272989.db2.gz DTQCYSULDRZCTL-UHFFFAOYSA-N 1 2 368.828 2.693 20 30 FFEDLO C=CCCCC[N@H+]1Cc2ccnn2CC[C@@H]1C(=O)N1CC(F)(C2CC2)C1 ZINC001279720608 1043527793 /nfs/dbraw/zinc/52/77/93/1043527793.db2.gz DPOWMYJILJFCMF-GOSISDBHSA-N 1 2 360.477 2.774 20 30 FFEDLO C=CCCCC[N@@H+]1Cc2ccnn2CC[C@@H]1C(=O)N1CC(F)(C2CC2)C1 ZINC001279720608 1043527802 /nfs/dbraw/zinc/52/78/02/1043527802.db2.gz DPOWMYJILJFCMF-GOSISDBHSA-N 1 2 360.477 2.774 20 30 FFEDLO N#Cc1cc(C[NH+]2CCC(C(=O)N3CCC(=O)CC3)CC2)ccc1Cl ZINC001238190989 1043600614 /nfs/dbraw/zinc/60/06/14/1043600614.db2.gz HRMXNCDUYPRTHP-UHFFFAOYSA-N 1 2 359.857 2.615 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)Nc4ccc(Cl)cc4)C3)C2)cc1C#N ZINC001279821600 1043705936 /nfs/dbraw/zinc/70/59/36/1043705936.db2.gz BSJCVDZVSONQBN-UHFFFAOYSA-N 1 2 369.856 2.900 20 30 FFEDLO Cc1ncsc1C[NH+]1CC2(CN(C(=O)Nc3cccc(C#N)c3)C2)C1 ZINC001279852257 1043774496 /nfs/dbraw/zinc/77/44/96/1043774496.db2.gz VTHSMEDFYDSROB-UHFFFAOYSA-N 1 2 353.451 2.673 20 30 FFEDLO Cc1cc(C)c(C[N@@H+]2CCc3cc(C(=O)NC4(C#N)CCC4)[nH]c3C2)[nH]1 ZINC001279885252 1043845617 /nfs/dbraw/zinc/84/56/17/1043845617.db2.gz PEUYGFHEMZIUES-UHFFFAOYSA-N 1 2 351.454 2.694 20 30 FFEDLO Cc1cc(C)c(C[N@H+]2CCc3cc(C(=O)NC4(C#N)CCC4)[nH]c3C2)[nH]1 ZINC001279885252 1043845636 /nfs/dbraw/zinc/84/56/36/1043845636.db2.gz PEUYGFHEMZIUES-UHFFFAOYSA-N 1 2 351.454 2.694 20 30 FFEDLO CCCCCCCCNC(=O)N1CC2(C1)C[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001279910685 1043909033 /nfs/dbraw/zinc/90/90/33/1043909033.db2.gz ONYTWXDLNUCBRK-UHFFFAOYSA-N 1 2 360.502 2.975 20 30 FFEDLO COc1ccc(C[NH+]2CC3(C[C@@H]3C(=O)NC3(C#N)CCC3)C2)cc1Cl ZINC001279933251 1043940530 /nfs/dbraw/zinc/94/05/30/1043940530.db2.gz WYJLWVWFSUTJLD-CQSZACIVSA-N 1 2 359.857 2.733 20 30 FFEDLO C=CCCCNC(=S)N1CC2(CC[N@H+]2Cc2ccc(NC(C)=O)cc2)C1 ZINC001279937217 1043951130 /nfs/dbraw/zinc/95/11/30/1043951130.db2.gz VJVVGGCVGOKCCC-UHFFFAOYSA-N 1 2 372.538 2.746 20 30 FFEDLO C=CCCCNC(=S)N1CC2(CC[N@@H+]2Cc2ccc(NC(C)=O)cc2)C1 ZINC001279937217 1043951139 /nfs/dbraw/zinc/95/11/39/1043951139.db2.gz VJVVGGCVGOKCCC-UHFFFAOYSA-N 1 2 372.538 2.746 20 30 FFEDLO CCCCCCCCCCNC(=S)N1CC[NH2+]C[C@H]1C(=O)OCC ZINC001239417812 1044117535 /nfs/dbraw/zinc/11/75/35/1044117535.db2.gz TUMFBVLGGWZHHV-INIZCTEOSA-N 1 2 357.564 2.839 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3Cc2ccc[nH]2)c(Cl)c1 ZINC001280038790 1044120261 /nfs/dbraw/zinc/12/02/61/1044120261.db2.gz SLDPGWSYFGMINI-HDICACEKSA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3Cc2ccc[nH]2)c(Cl)c1 ZINC001280038790 1044120264 /nfs/dbraw/zinc/12/02/64/1044120264.db2.gz SLDPGWSYFGMINI-HDICACEKSA-N 1 2 356.857 2.625 20 30 FFEDLO Cc1cc(N(C)C)[nH+]cc1-c1nccnc1[C@H](C#N)C(=O)OC(C)(C)C ZINC001241239739 1044495657 /nfs/dbraw/zinc/49/56/57/1044495657.db2.gz BNFWFJKHNWRBHK-ZDUSSCGKSA-N 1 2 353.426 2.862 20 30 FFEDLO COc1cc(CN2CC3(CC[N@@H+]3Cc3scnc3C)C2)ccc1C#N ZINC001280316244 1044595354 /nfs/dbraw/zinc/59/53/54/1044595354.db2.gz USLGHZCHETZXDF-UHFFFAOYSA-N 1 2 354.479 2.792 20 30 FFEDLO COc1cc(CN2CC3(CC[N@H+]3Cc3scnc3C)C2)ccc1C#N ZINC001280316244 1044595364 /nfs/dbraw/zinc/59/53/64/1044595364.db2.gz USLGHZCHETZXDF-UHFFFAOYSA-N 1 2 354.479 2.792 20 30 FFEDLO C=CCNC(=O)[C@H](C)[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3CCC)cc2C1 ZINC001281299473 1044859177 /nfs/dbraw/zinc/85/91/77/1044859177.db2.gz OUWACIKRVFIDCS-XAUMDUMWSA-N 1 2 369.509 2.745 20 30 FFEDLO C=CCNC(=O)[C@H](C)[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3CCC)cc2C1 ZINC001281299473 1044859205 /nfs/dbraw/zinc/85/92/05/1044859205.db2.gz OUWACIKRVFIDCS-XAUMDUMWSA-N 1 2 369.509 2.745 20 30 FFEDLO COC(=O)c1cc(-c2cc(F)ccc2C[NH+]2CCOCC2)ccc1C#N ZINC001243100753 1044861213 /nfs/dbraw/zinc/86/12/13/1044861213.db2.gz DEIXISQCHFIPJF-UHFFFAOYSA-N 1 2 354.381 2.983 20 30 FFEDLO N#Cc1cc(C#N)cc(-c2ccc(OCC[NH+]3CCOCC3)cc2F)c1 ZINC001244135761 1045084748 /nfs/dbraw/zinc/08/47/48/1045084748.db2.gz RTTXNLRQQDKRNS-UHFFFAOYSA-N 1 2 351.381 2.947 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001281771546 1045103903 /nfs/dbraw/zinc/10/39/03/1045103903.db2.gz GUTKTGDMSMRKKW-BRWVUGGUSA-N 1 2 360.502 2.646 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@@H](C)c2nccs2)CC1 ZINC001539430485 1070636977 /nfs/dbraw/zinc/63/69/77/1070636977.db2.gz JJXNEYSMDFVPJH-HZPDHXFCSA-N 1 2 372.542 2.807 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C)SC)CC1 ZINC001539441178 1070638298 /nfs/dbraw/zinc/63/82/98/1070638298.db2.gz LNXQDSUJIVLIGU-HNNXBMFYSA-N 1 2 373.501 2.591 20 30 FFEDLO C=CCCC(=O)N1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1CC ZINC001282261139 1045456353 /nfs/dbraw/zinc/45/63/53/1045456353.db2.gz QAPJYWNXLBCPBR-DLBZAZTESA-N 1 2 354.454 2.718 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1ccc(CC#N)cc1 ZINC001320757361 1045461929 /nfs/dbraw/zinc/46/19/29/1045461929.db2.gz AOBKRLNMYFXQNW-UHFFFAOYSA-N 1 2 360.483 2.612 20 30 FFEDLO C=CCN1CC[C@H](OC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(C)c2)C1=O ZINC001321186282 1045580235 /nfs/dbraw/zinc/58/02/35/1045580235.db2.gz ZPRNEUXIOUGOSC-OALUTQOASA-N 1 2 356.466 2.680 20 30 FFEDLO C=CCN1CC[C@H](OC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2)C1=O ZINC001321186282 1045580244 /nfs/dbraw/zinc/58/02/44/1045580244.db2.gz ZPRNEUXIOUGOSC-OALUTQOASA-N 1 2 356.466 2.680 20 30 FFEDLO C=CCCCC(=O)NC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001282507228 1045738517 /nfs/dbraw/zinc/73/85/17/1045738517.db2.gz IJPGFFYZWGVYDK-HZPDHXFCSA-N 1 2 354.454 2.515 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001282842256 1046308984 /nfs/dbraw/zinc/30/89/84/1046308984.db2.gz TWJQDADDIJWUIC-WCLQXYBISA-N 1 2 370.497 2.614 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001282842256 1046309000 /nfs/dbraw/zinc/30/90/00/1046309000.db2.gz TWJQDADDIJWUIC-WCLQXYBISA-N 1 2 370.497 2.614 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC001325621557 1046581568 /nfs/dbraw/zinc/58/15/68/1046581568.db2.gz JQEPYYHLHMYBNX-LJQANCHMSA-N 1 2 351.450 2.618 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(C)c2)CC1 ZINC001286470386 1047119730 /nfs/dbraw/zinc/11/97/30/1047119730.db2.gz YJOJJBLDWAGZMS-UHFFFAOYSA-N 1 2 351.498 2.688 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1=O ZINC001326955092 1047144534 /nfs/dbraw/zinc/14/45/34/1047144534.db2.gz CAEYQTKLJPEUOQ-ZSBIGDGJSA-N 1 2 358.392 2.690 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1c1ccccc1 ZINC001316643549 1047275462 /nfs/dbraw/zinc/27/54/62/1047275462.db2.gz XMUHVRNWXNAJDA-RBUKOAKNSA-N 1 2 368.506 2.816 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1c1ccccc1 ZINC001316643549 1047275465 /nfs/dbraw/zinc/27/54/65/1047275465.db2.gz XMUHVRNWXNAJDA-RBUKOAKNSA-N 1 2 368.506 2.816 20 30 FFEDLO O=C(/C=C/c1ccc(F)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001540701509 1070971779 /nfs/dbraw/zinc/97/17/79/1070971779.db2.gz JPSRQGHCXYMJCV-RMKNXTFCSA-N 1 2 363.392 2.969 20 30 FFEDLO CC(C)C[C@@H](C(=O)N1CCN(c2cccc(F)c2C#N)CC1)n1cc[nH+]c1 ZINC001290465547 1048146170 /nfs/dbraw/zinc/14/61/70/1048146170.db2.gz LLBFNCHNKVUJOA-IBGZPJMESA-N 1 2 369.444 2.830 20 30 FFEDLO N#Cc1ccc2[nH]c(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3cccnc3)nc2c1 ZINC001329652192 1048833657 /nfs/dbraw/zinc/83/36/57/1048833657.db2.gz SGEPKVUUGYZJDA-SFHVURJKSA-N 1 2 360.421 2.823 20 30 FFEDLO N#Cc1ccc2[nH]c(NC(=O)[C@@H]3CCCC[N@H+]3Cc3cccnc3)nc2c1 ZINC001329652192 1048833668 /nfs/dbraw/zinc/83/36/68/1048833668.db2.gz SGEPKVUUGYZJDA-SFHVURJKSA-N 1 2 360.421 2.823 20 30 FFEDLO C=CCO[C@@H]1CCN(c2nnc(C)n2Cc2ccc(N(CC)CC)[nH+]c2)C1 ZINC001540884900 1071028400 /nfs/dbraw/zinc/02/84/00/1071028400.db2.gz XLIRIWITPSSGGD-GOSISDBHSA-N 1 2 370.501 2.657 20 30 FFEDLO C=C(C)Cn1c(N(C)c2cccc(C)c2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001341839432 1050451482 /nfs/dbraw/zinc/45/14/82/1050451482.db2.gz NWZQMFWWRZJNTC-FXAWDEMLSA-N 1 2 355.486 2.842 20 30 FFEDLO C=C(C)Cn1c(N(C)c2cccc(C)c2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001341839432 1050451488 /nfs/dbraw/zinc/45/14/88/1050451488.db2.gz NWZQMFWWRZJNTC-FXAWDEMLSA-N 1 2 355.486 2.842 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC001341867875 1050476108 /nfs/dbraw/zinc/47/61/08/1050476108.db2.gz FLQYOSSVAPYJGX-QGZVFWFLSA-N 1 2 370.501 2.574 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(CC(F)F)C1CCC1 ZINC001341869043 1050477740 /nfs/dbraw/zinc/47/77/40/1050477740.db2.gz VCZGXBPWYYOUIR-UHFFFAOYSA-N 1 2 350.417 2.803 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)CCCF ZINC001342242664 1050833039 /nfs/dbraw/zinc/83/30/39/1050833039.db2.gz RWVLLEBXNLLQNJ-JKSUJKDBSA-N 1 2 351.470 2.576 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)CCCF ZINC001342242664 1050833058 /nfs/dbraw/zinc/83/30/58/1050833058.db2.gz RWVLLEBXNLLQNJ-JKSUJKDBSA-N 1 2 351.470 2.576 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)CCCF ZINC001342242663 1050833741 /nfs/dbraw/zinc/83/37/41/1050833741.db2.gz RWVLLEBXNLLQNJ-HZPDHXFCSA-N 1 2 351.470 2.576 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)CCCF ZINC001342242663 1050833746 /nfs/dbraw/zinc/83/37/46/1050833746.db2.gz RWVLLEBXNLLQNJ-HZPDHXFCSA-N 1 2 351.470 2.576 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001340449733 1050843277 /nfs/dbraw/zinc/84/32/77/1050843277.db2.gz LKLPIPVSFPJKGD-RBUKOAKNSA-N 1 2 373.545 2.685 20 30 FFEDLO C=CCN(CC=C)c1nnc(C2CCCC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001301383798 1050883300 /nfs/dbraw/zinc/88/33/00/1050883300.db2.gz MBIZHMBZLLYXAF-UHFFFAOYSA-N 1 2 371.529 2.979 20 30 FFEDLO C=CCN(CC=C)c1nnc(CC(C)C)n1CC1([NH+]2CCOCC2)CC1 ZINC001301402362 1050888029 /nfs/dbraw/zinc/88/80/29/1050888029.db2.gz GBGJXOPOYMWCQP-UHFFFAOYSA-N 1 2 359.518 2.520 20 30 FFEDLO C=C1CCC(C(=O)NCC2(CCNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC001340551892 1050939917 /nfs/dbraw/zinc/93/99/17/1050939917.db2.gz QYWGZRRAYBVBSH-IAGOWNOFSA-N 1 2 370.497 2.662 20 30 FFEDLO C=C1CCC(C(=O)NCC2(CCNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC001340551892 1050939935 /nfs/dbraw/zinc/93/99/35/1050939935.db2.gz QYWGZRRAYBVBSH-IAGOWNOFSA-N 1 2 370.497 2.662 20 30 FFEDLO C=CCn1c(N2CC=C(C(C)(C)C)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340569731 1050956030 /nfs/dbraw/zinc/95/60/30/1050956030.db2.gz DTZAYXBJBIRCKA-OXQOHEQNSA-N 1 2 359.518 2.558 20 30 FFEDLO C=CCn1c(N2CC=C(C(C)(C)C)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340569731 1050956043 /nfs/dbraw/zinc/95/60/43/1050956043.db2.gz DTZAYXBJBIRCKA-OXQOHEQNSA-N 1 2 359.518 2.558 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)CCOc1cccc(C)c1 ZINC001340592844 1050978465 /nfs/dbraw/zinc/97/84/65/1050978465.db2.gz DNXKATJGBLEKKW-UHFFFAOYSA-N 1 2 366.469 2.612 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC([C@H]2CCCCO2)CC1 ZINC001342416700 1051012442 /nfs/dbraw/zinc/01/24/42/1051012442.db2.gz UZXAOXGAPLRFBD-QGZVFWFLSA-N 1 2 370.501 2.574 20 30 FFEDLO N#Cc1ccc(Nc2cccc(C(=O)N3CC[NH2+][C@@H](c4cn[nH]c4)C3)c2)cc1 ZINC001302058601 1051034242 /nfs/dbraw/zinc/03/42/42/1051034242.db2.gz CTOMLNJWCCXYPV-HXUWFJFHSA-N 1 2 372.432 2.812 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H](CCF)C1 ZINC001342685871 1051297745 /nfs/dbraw/zinc/29/77/45/1051297745.db2.gz NQNGNJAHVJYPDJ-MRXNPFEDSA-N 1 2 362.497 2.967 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC001341037741 1051374481 /nfs/dbraw/zinc/37/44/81/1051374481.db2.gz YZESTICOHUDZIZ-KRWDZBQOSA-N 1 2 364.444 2.627 20 30 FFEDLO C[C@H](CN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C)c1nccs1 ZINC001341439755 1051796408 /nfs/dbraw/zinc/79/64/08/1051796408.db2.gz AXTAVMHYEBMKPB-CQSZACIVSA-N 1 2 373.530 2.605 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CCN1C(=O)C#CC(C)(C)C ZINC001344864614 1052079718 /nfs/dbraw/zinc/07/97/18/1052079718.db2.gz OQRKCMPDLCJTGD-FUHWJXTLSA-N 1 2 366.465 2.722 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)C[C@]12CCC[C@H]1OCC2 ZINC001343419669 1052219463 /nfs/dbraw/zinc/21/94/63/1052219463.db2.gz NRASMEQGUQDKCP-OXQOHEQNSA-N 1 2 370.501 2.574 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@H](CC#N)C1 ZINC001343466781 1052250209 /nfs/dbraw/zinc/25/02/09/1052250209.db2.gz AICCZEOWDXDVKS-MSOLQXFVSA-N 1 2 374.533 2.846 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@H](CC#N)C1 ZINC001343466781 1052250216 /nfs/dbraw/zinc/25/02/16/1052250216.db2.gz AICCZEOWDXDVKS-MSOLQXFVSA-N 1 2 374.533 2.846 20 30 FFEDLO CC[C@@H]1COCC[N@@H+]1CCNc1ccc(C#N)c(Br)c1F ZINC001307200003 1052266352 /nfs/dbraw/zinc/26/63/52/1052266352.db2.gz FHEXWEIDTSHLHT-GFCCVEGCSA-N 1 2 356.239 2.983 20 30 FFEDLO CC[C@@H]1COCC[N@H+]1CCNc1ccc(C#N)c(Br)c1F ZINC001307200003 1052266359 /nfs/dbraw/zinc/26/63/59/1052266359.db2.gz FHEXWEIDTSHLHT-GFCCVEGCSA-N 1 2 356.239 2.983 20 30 FFEDLO Cn1c[nH+]cc1CCCOC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC001343738437 1052396974 /nfs/dbraw/zinc/39/69/74/1052396974.db2.gz IHHSGKVTCLFXQO-UHFFFAOYSA-N 1 2 370.428 2.823 20 30 FFEDLO COC(=O)C1([C@]2(O)CCC[N@H+](Cc3ccc(Cl)cc3C#N)C2)CCC1 ZINC001308106914 1052407201 /nfs/dbraw/zinc/40/72/01/1052407201.db2.gz ICYKYRNQBFSRLV-IBGZPJMESA-N 1 2 362.857 2.882 20 30 FFEDLO COC(=O)C1([C@]2(O)CCC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)CCC1 ZINC001308106914 1052407205 /nfs/dbraw/zinc/40/72/05/1052407205.db2.gz ICYKYRNQBFSRLV-IBGZPJMESA-N 1 2 362.857 2.882 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC001343772750 1052411503 /nfs/dbraw/zinc/41/15/03/1052411503.db2.gz YVEJVPKQSGWYJO-UHOSZYNNSA-N 1 2 373.545 2.826 20 30 FFEDLO C[C@@H]1C[NH+](Cc2ccc(C(=O)[C@H](C#N)c3nccn3C)cc2)C[C@@H](C)O1 ZINC001343853189 1052453140 /nfs/dbraw/zinc/45/31/40/1052453140.db2.gz QIPKQZUIOFQBJX-RKVPGOIHSA-N 1 2 352.438 2.519 20 30 FFEDLO C=CC[C@@H]([NH2+]CCC1(NC(=O)OC(C)(C)C)CCOCC1)C(=O)OCC ZINC001308741445 1052492637 /nfs/dbraw/zinc/49/26/37/1052492637.db2.gz UXUJUCXJNUXABQ-OAHLLOKOSA-N 1 2 370.490 2.548 20 30 FFEDLO Cc1cccc(C#N)c1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001309317134 1052597978 /nfs/dbraw/zinc/59/79/78/1052597978.db2.gz QVSXSSPXZJSJJL-ROUUACIJSA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1cccc(C#N)c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001309317134 1052597981 /nfs/dbraw/zinc/59/79/81/1052597981.db2.gz QVSXSSPXZJSJJL-ROUUACIJSA-N 1 2 373.453 2.730 20 30 FFEDLO C=C[C@@H](COC)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001344453765 1052778400 /nfs/dbraw/zinc/77/84/00/1052778400.db2.gz XUMGMKYNKJTAOQ-KRWDZBQOSA-N 1 2 362.861 2.949 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCSC[C@@H]1C ZINC001346188338 1052781703 /nfs/dbraw/zinc/78/17/03/1052781703.db2.gz XZVMKPMZLKXGHE-INIZCTEOSA-N 1 2 374.558 2.889 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2CCCC[N@H+]2C)n1C[C@H]1CCCO1 ZINC001344728652 1052905863 /nfs/dbraw/zinc/90/58/63/1052905863.db2.gz CCBNKBBZIOGZQI-KZNAEPCWSA-N 1 2 357.502 2.606 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2CCCC[N@@H+]2C)n1C[C@H]1CCCO1 ZINC001344728652 1052905866 /nfs/dbraw/zinc/90/58/66/1052905866.db2.gz CCBNKBBZIOGZQI-KZNAEPCWSA-N 1 2 357.502 2.606 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@]2(CNC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001346704253 1053238904 /nfs/dbraw/zinc/23/89/04/1053238904.db2.gz CRIIHZRBYGKVDD-YLJYHZDGSA-N 1 2 358.486 2.504 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cccc2[nH+]ccn21 ZINC001347794215 1054328220 /nfs/dbraw/zinc/32/82/20/1054328220.db2.gz YNKRKRFYMQSGMN-OAGGEKHMSA-N 1 2 352.438 2.552 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@H](c2ccco2)C1 ZINC001351615222 1054921389 /nfs/dbraw/zinc/92/13/89/1054921389.db2.gz HEUVXVDIFGSTKT-RDJZCZTQSA-N 1 2 357.458 2.792 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@H](c2ccco2)C1 ZINC001351615222 1054921402 /nfs/dbraw/zinc/92/14/02/1054921402.db2.gz HEUVXVDIFGSTKT-RDJZCZTQSA-N 1 2 357.458 2.792 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(c2nc(C)no2)CC1 ZINC001351615408 1054922062 /nfs/dbraw/zinc/92/20/62/1054922062.db2.gz JBMGCIQCSKEPCM-MRXNPFEDSA-N 1 2 371.489 2.696 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(c2nc(C)no2)CC1 ZINC001351615408 1054922069 /nfs/dbraw/zinc/92/20/69/1054922069.db2.gz JBMGCIQCSKEPCM-MRXNPFEDSA-N 1 2 371.489 2.696 20 30 FFEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(CCC#N)cc1 ZINC001337774761 1055009516 /nfs/dbraw/zinc/00/95/16/1055009516.db2.gz RYBOBGGEXGEIEV-QGZVFWFLSA-N 1 2 367.453 2.509 20 30 FFEDLO C=CC1CCN(c2nnc([C@H]3CCC[N@H+]3C)n2Cc2cc(C)on2)CC1 ZINC001349479620 1055287030 /nfs/dbraw/zinc/28/70/30/1055287030.db2.gz HJSNIGBORFRMKT-QGZVFWFLSA-N 1 2 356.474 2.792 20 30 FFEDLO C=CC1CCN(c2nnc([C@H]3CCC[N@@H+]3C)n2Cc2cc(C)on2)CC1 ZINC001349479620 1055287041 /nfs/dbraw/zinc/28/70/41/1055287041.db2.gz HJSNIGBORFRMKT-QGZVFWFLSA-N 1 2 356.474 2.792 20 30 FFEDLO COc1ccc([C@@H](C[NH+](C)C)NCCC(=O)Nc2cccc(C#N)c2)cc1 ZINC001338505458 1055577382 /nfs/dbraw/zinc/57/73/82/1055577382.db2.gz KOVDOUSKPDFALC-HXUWFJFHSA-N 1 2 366.465 2.788 20 30 FFEDLO Cc1ncsc1C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001350311764 1055718855 /nfs/dbraw/zinc/71/88/55/1055718855.db2.gz ONNDQJCBTFILAS-UHFFFAOYSA-N 1 2 362.476 2.554 20 30 FFEDLO C=C1CCC(C(=O)N[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)CC1 ZINC001356962488 1055728540 /nfs/dbraw/zinc/72/85/40/1055728540.db2.gz CFOAFNKSVOBWPE-LZJOCLMNSA-N 1 2 370.497 2.661 20 30 FFEDLO C=C1CCC(C(=O)N[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)CC1 ZINC001356962488 1055728546 /nfs/dbraw/zinc/72/85/46/1055728546.db2.gz CFOAFNKSVOBWPE-LZJOCLMNSA-N 1 2 370.497 2.661 20 30 FFEDLO C=CC[C@@H]1CCN1C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001338800969 1055828255 /nfs/dbraw/zinc/82/82/55/1055828255.db2.gz CUZWSFPYCRAWJI-MRXNPFEDSA-N 1 2 362.433 2.717 20 30 FFEDLO C=C(C)CN(Cc1ccccc1)c1nnc([C@H]2C[C@H](O)C[N@@H+]2C)n1CC ZINC001352902403 1055911421 /nfs/dbraw/zinc/91/14/21/1055911421.db2.gz QQECLQXQUCWVRY-ZWKOTPCHSA-N 1 2 355.486 2.618 20 30 FFEDLO C=C(C)CN(Cc1ccccc1)c1nnc([C@H]2C[C@H](O)C[N@H+]2C)n1CC ZINC001352902403 1055911429 /nfs/dbraw/zinc/91/14/29/1055911429.db2.gz QQECLQXQUCWVRY-ZWKOTPCHSA-N 1 2 355.486 2.618 20 30 FFEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(CO)CC1 ZINC001339111982 1056104117 /nfs/dbraw/zinc/10/41/17/1056104117.db2.gz ZBHRECYOWVOYIS-KRWDZBQOSA-N 1 2 369.513 2.866 20 30 FFEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(CO)CC1 ZINC001339111982 1056104127 /nfs/dbraw/zinc/10/41/27/1056104127.db2.gz ZBHRECYOWVOYIS-KRWDZBQOSA-N 1 2 369.513 2.866 20 30 FFEDLO C=CCN(CCc1ccco1)c1nnc([C@H]2CCCC[N@@H+]2C)n1CCOC ZINC001358263754 1056222253 /nfs/dbraw/zinc/22/22/53/1056222253.db2.gz STPPEXUAAQDJCY-GOSISDBHSA-N 1 2 373.501 2.909 20 30 FFEDLO C=CCN(CCc1ccco1)c1nnc([C@H]2CCCC[N@H+]2C)n1CCOC ZINC001358263754 1056222262 /nfs/dbraw/zinc/22/22/62/1056222262.db2.gz STPPEXUAAQDJCY-GOSISDBHSA-N 1 2 373.501 2.909 20 30 FFEDLO C#CC[C@@H](CC)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC1CC1 ZINC001351433641 1056261126 /nfs/dbraw/zinc/26/11/26/1056261126.db2.gz IOBDZJMTOIJXAW-GOSISDBHSA-N 1 2 364.497 2.927 20 30 FFEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001339299981 1056305489 /nfs/dbraw/zinc/30/54/89/1056305489.db2.gz HOSJPFPJXUDGLO-IRXDYDNUSA-N 1 2 360.502 2.815 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@@H](C)c2ccccc21 ZINC001339606894 1056630752 /nfs/dbraw/zinc/63/07/52/1056630752.db2.gz OKAMUTNRRFCTCY-MRXNPFEDSA-N 1 2 367.497 2.924 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)[C@H](C)c1ccccc1 ZINC001339606310 1056630840 /nfs/dbraw/zinc/63/08/40/1056630840.db2.gz ISXDTUBHQMQPAQ-QGZVFWFLSA-N 1 2 369.513 2.866 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cc3ccccc3nc2OCCC)CC1 ZINC001544680503 1071678038 /nfs/dbraw/zinc/67/80/38/1071678038.db2.gz NUOSVPYEKZEVDZ-UHFFFAOYSA-N 1 2 351.450 2.805 20 30 FFEDLO Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC001443703352 1058230386 /nfs/dbraw/zinc/23/03/86/1058230386.db2.gz VIQWVJGNFGTZJK-UHFFFAOYSA-N 1 2 354.410 2.550 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2C[C@H]2CCCO2)C1 ZINC001518115127 1058269629 /nfs/dbraw/zinc/26/96/29/1058269629.db2.gz FAOPEOKNANJTAB-QRVBRYPASA-N 1 2 371.529 2.854 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2C[C@H]2CCCO2)C1 ZINC001518115127 1058269640 /nfs/dbraw/zinc/26/96/40/1058269640.db2.gz FAOPEOKNANJTAB-QRVBRYPASA-N 1 2 371.529 2.854 20 30 FFEDLO COCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H](C)CC1 ZINC001514679408 1059051005 /nfs/dbraw/zinc/05/10/05/1059051005.db2.gz DIQNINBLJIDXPI-KRWDZBQOSA-N 1 2 374.533 2.644 20 30 FFEDLO C#CCN(CC)c1nnc(CC2CC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001300634086 1059100810 /nfs/dbraw/zinc/10/08/10/1059100810.db2.gz SRZTVZWMYXWMCP-UHFFFAOYSA-N 1 2 360.465 2.924 20 30 FFEDLO C=C(C)Cn1c(N2CCC(CC)(CC)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001515003872 1059213391 /nfs/dbraw/zinc/21/33/91/1059213391.db2.gz ODRUQVINTAPKCR-VQIMIIECSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC(CC)(CC)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001515003872 1059213410 /nfs/dbraw/zinc/21/34/10/1059213410.db2.gz ODRUQVINTAPKCR-VQIMIIECSA-N 1 2 361.534 2.782 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2[C@@H]2C[C@@H]2C)CC1 ZINC001300707598 1059443770 /nfs/dbraw/zinc/44/37/70/1059443770.db2.gz GKJZTNYVNCJWLL-PKOBYXMFSA-N 1 2 365.481 2.502 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001515296248 1059514017 /nfs/dbraw/zinc/51/40/17/1059514017.db2.gz OFPPZXYLJWYNBA-HZPDHXFCSA-N 1 2 371.489 2.696 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001515296248 1059514034 /nfs/dbraw/zinc/51/40/34/1059514034.db2.gz OFPPZXYLJWYNBA-HZPDHXFCSA-N 1 2 371.489 2.696 20 30 FFEDLO N#Cc1ccc(Oc2cccc(C(=O)N3CC[NH2+][C@@H](c4cn[nH]c4)C3)c2)cc1 ZINC001454526395 1059552947 /nfs/dbraw/zinc/55/29/47/1059552947.db2.gz SYXURVRXIIRTKC-HXUWFJFHSA-N 1 2 373.416 2.860 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)Cc1ccccc1SC ZINC001520289031 1059572222 /nfs/dbraw/zinc/57/22/22/1059572222.db2.gz IQBAYQJSLKRGHF-CVEARBPZSA-N 1 2 373.526 2.560 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)Cc1ccccc1SC ZINC001520289031 1059572240 /nfs/dbraw/zinc/57/22/40/1059572240.db2.gz IQBAYQJSLKRGHF-CVEARBPZSA-N 1 2 373.526 2.560 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001515556875 1059698850 /nfs/dbraw/zinc/69/88/50/1059698850.db2.gz WYEDHJZRLOZRHV-GOSISDBHSA-N 1 2 361.534 2.541 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CC2(CCOC)CCC2)CC1 ZINC001507722481 1059702270 /nfs/dbraw/zinc/70/22/70/1059702270.db2.gz YMVHEOXAHJNQBD-SFHVURJKSA-N 1 2 373.545 2.754 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@@](C)(C(F)(F)F)C1 ZINC001520595351 1059850257 /nfs/dbraw/zinc/85/02/57/1059850257.db2.gz AAEFZOLDIPHVLX-OAHLLOKOSA-N 1 2 354.380 2.567 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)n2CC(=C)C)C1 ZINC001516031273 1059934597 /nfs/dbraw/zinc/93/45/97/1059934597.db2.gz CPJFOEPOOHYHKB-QRVBRYPASA-N 1 2 369.513 2.630 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)n2CC(=C)C)C1 ZINC001516031273 1059934616 /nfs/dbraw/zinc/93/46/16/1059934616.db2.gz CPJFOEPOOHYHKB-QRVBRYPASA-N 1 2 369.513 2.630 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@H]12 ZINC001511337026 1060332831 /nfs/dbraw/zinc/33/28/31/1060332831.db2.gz ZPLIPYASTMQTBK-RDBAUFEQSA-N 1 2 370.497 2.520 20 30 FFEDLO C#C[C@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC(C)C)C1 ZINC001517437095 1060500970 /nfs/dbraw/zinc/50/09/70/1060500970.db2.gz BCFQOTSOJDICEJ-SFHVURJKSA-N 1 2 368.529 2.877 20 30 FFEDLO Cc1c[nH+]c2cc(C(=O)O[C@@H](C)C(=O)NC3(C#N)CCCCC3)ccn12 ZINC000848780335 1060679383 /nfs/dbraw/zinc/67/93/83/1060679383.db2.gz PAQDFPYKSUIMQQ-AWEZNQCLSA-N 1 2 354.410 2.531 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCN(c2ccccc2)CC1 ZINC001355928624 1060735609 /nfs/dbraw/zinc/73/56/09/1060735609.db2.gz DKYXBFUOLUBFCN-LJQANCHMSA-N 1 2 366.513 2.948 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCN(c2ccccc2)CC1 ZINC001355928624 1060735620 /nfs/dbraw/zinc/73/56/20/1060735620.db2.gz DKYXBFUOLUBFCN-LJQANCHMSA-N 1 2 366.513 2.948 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001355968519 1060771271 /nfs/dbraw/zinc/77/12/71/1060771271.db2.gz JVOCHCZXWPWRTC-MRXNPFEDSA-N 1 2 361.534 2.541 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001459799805 1060820474 /nfs/dbraw/zinc/82/04/74/1060820474.db2.gz RHLHACHJGKXHNV-SOUVJXGZSA-N 1 2 363.408 2.917 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001459799805 1060820483 /nfs/dbraw/zinc/82/04/83/1060820483.db2.gz RHLHACHJGKXHNV-SOUVJXGZSA-N 1 2 363.408 2.917 20 30 FFEDLO C#Cc1cccc(NC(=O)CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC001526132411 1061014630 /nfs/dbraw/zinc/01/46/30/1061014630.db2.gz GNRDONLMPKXDAM-LJQANCHMSA-N 1 2 369.852 2.679 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001522192565 1061698342 /nfs/dbraw/zinc/69/83/42/1061698342.db2.gz ZVKGVRFKOHEIFD-KMFMINBZSA-N 1 2 352.438 2.637 20 30 FFEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2c(C#N)sc3ccccc32)C[C@H]1C ZINC001463433692 1062102504 /nfs/dbraw/zinc/10/25/04/1062102504.db2.gz NDDNBAGIMYLLCB-OLZOCXBDSA-N 1 2 363.508 2.876 20 30 FFEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2c(C#N)sc3ccccc32)C[C@H]1C ZINC001463433692 1062102513 /nfs/dbraw/zinc/10/25/13/1062102513.db2.gz NDDNBAGIMYLLCB-OLZOCXBDSA-N 1 2 363.508 2.876 20 30 FFEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2c(C#N)sc3ccccc32)C[C@@H]1C ZINC001463433704 1062102672 /nfs/dbraw/zinc/10/26/72/1062102672.db2.gz NDDNBAGIMYLLCB-STQMWFEESA-N 1 2 363.508 2.876 20 30 FFEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2c(C#N)sc3ccccc32)C[C@@H]1C ZINC001463433704 1062102681 /nfs/dbraw/zinc/10/26/81/1062102681.db2.gz NDDNBAGIMYLLCB-STQMWFEESA-N 1 2 363.508 2.876 20 30 FFEDLO C=CCN(CC1CCCCC1)c1nnc(Cc2[nH+]ccn2C)n1CCOC ZINC001523640466 1062558534 /nfs/dbraw/zinc/55/85/34/1062558534.db2.gz LKQZNRSRYRLPED-UHFFFAOYSA-N 1 2 372.517 2.822 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H]2C[N@H+](Cc3nccn3C(F)F)CC[C@@H]2C1 ZINC001479669415 1062773764 /nfs/dbraw/zinc/77/37/64/1062773764.db2.gz CEMDXGIFRXYUPQ-CABCVRRESA-N 1 2 352.429 2.915 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nccn3C(F)F)CC[C@@H]2C1 ZINC001479669415 1062773784 /nfs/dbraw/zinc/77/37/84/1062773784.db2.gz CEMDXGIFRXYUPQ-CABCVRRESA-N 1 2 352.429 2.915 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC=C(C)C1 ZINC001524358243 1062812734 /nfs/dbraw/zinc/81/27/34/1062812734.db2.gz KDTOVPBBQNCSCK-ROUUACIJSA-N 1 2 357.502 2.936 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC=C(C)C1 ZINC001524358243 1062812758 /nfs/dbraw/zinc/81/27/58/1062812758.db2.gz KDTOVPBBQNCSCK-ROUUACIJSA-N 1 2 357.502 2.936 20 30 FFEDLO COc1cccc(C[NH+]2CCN(C(=O)/C=C/c3ccccc3C#N)CC2)c1 ZINC001438148263 1062962399 /nfs/dbraw/zinc/96/23/99/1062962399.db2.gz RHEGQKBGSHJAIT-MDZDMXLPSA-N 1 2 361.445 2.924 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2c(F)cc(Br)cc2F)CC1 ZINC001465278681 1063038723 /nfs/dbraw/zinc/03/87/23/1063038723.db2.gz VBXLODTXMFKGQV-UHFFFAOYSA-N 1 2 357.198 2.508 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2c(F)cc(Br)cc2F)CC1 ZINC001465278681 1063038743 /nfs/dbraw/zinc/03/87/43/1063038743.db2.gz VBXLODTXMFKGQV-UHFFFAOYSA-N 1 2 357.198 2.508 20 30 FFEDLO C=C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001465781960 1063213247 /nfs/dbraw/zinc/21/32/47/1063213247.db2.gz LHQWPMSTEPHWJP-MSOLQXFVSA-N 1 2 373.497 2.624 20 30 FFEDLO C=C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001465781960 1063213265 /nfs/dbraw/zinc/21/32/65/1063213265.db2.gz LHQWPMSTEPHWJP-MSOLQXFVSA-N 1 2 373.497 2.624 20 30 FFEDLO CSC1([C@@H](C#N)N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC001533085947 1063241908 /nfs/dbraw/zinc/24/19/08/1063241908.db2.gz LNNRLZHNSYEVQJ-OAHLLOKOSA-N 1 2 371.422 2.640 20 30 FFEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC001468603632 1064010227 /nfs/dbraw/zinc/01/02/27/1064010227.db2.gz KASFYJSQGRFGJE-UHFFFAOYSA-N 1 2 370.497 2.558 20 30 FFEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC001468603632 1064010234 /nfs/dbraw/zinc/01/02/34/1064010234.db2.gz KASFYJSQGRFGJE-UHFFFAOYSA-N 1 2 370.497 2.558 20 30 FFEDLO C#C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC001469382892 1064138219 /nfs/dbraw/zinc/13/82/19/1064138219.db2.gz AZUURLPMGUYRES-DYESRHJHSA-N 1 2 365.452 2.827 20 30 FFEDLO C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H]([NH2+]CC(F)F)C1 ZINC001574916228 1078092438 /nfs/dbraw/zinc/09/24/38/1078092438.db2.gz VCQSVACOIFWAPB-CABCVRRESA-N 1 2 369.460 2.572 20 30 FFEDLO C=CCC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)c2oc(C)cc2C)CC1 ZINC001575097855 1078106936 /nfs/dbraw/zinc/10/69/36/1078106936.db2.gz UAIFAMYPDHXXAN-UHFFFAOYSA-N 1 2 357.458 2.697 20 30 FFEDLO COc1ccccc1Cc1cn(CC(=O)NC2(C#N)CCCCC2)c[nH+]1 ZINC001473101697 1065199573 /nfs/dbraw/zinc/19/95/73/1065199573.db2.gz YCOFOWSGDLODSJ-UHFFFAOYSA-N 1 2 352.438 2.825 20 30 FFEDLO C[C@@H]1CN(Cc2ccccc2)C[C@]2(CC[N@H+](Cc3cc(C#N)ccn3)C2)O1 ZINC001473748619 1065344783 /nfs/dbraw/zinc/34/47/83/1065344783.db2.gz XTIPYBITBUTOIK-XMSQKQJNSA-N 1 2 362.477 2.819 20 30 FFEDLO C[C@@H]1CN(Cc2ccccc2)C[C@]2(CC[N@@H+](Cc3cc(C#N)ccn3)C2)O1 ZINC001473748619 1065344790 /nfs/dbraw/zinc/34/47/90/1065344790.db2.gz XTIPYBITBUTOIK-XMSQKQJNSA-N 1 2 362.477 2.819 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc(Cl)cc2O)[C@@H](C#N)C1 ZINC001474424756 1065519095 /nfs/dbraw/zinc/51/90/95/1065519095.db2.gz PKQYVLJEKDUPIG-JSGCOSHPSA-N 1 2 351.834 2.894 20 30 FFEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001560093347 1076225324 /nfs/dbraw/zinc/22/53/24/1076225324.db2.gz BMRISHGPYPMRIN-IFXJQAMLSA-N 1 2 354.491 2.977 20 30 FFEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001560093347 1076225327 /nfs/dbraw/zinc/22/53/27/1076225327.db2.gz BMRISHGPYPMRIN-IFXJQAMLSA-N 1 2 354.491 2.977 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H](C)c2c(F)cccc2F)c1 ZINC001560160197 1076238852 /nfs/dbraw/zinc/23/88/52/1076238852.db2.gz QDTNZGSYAJGVOH-LBPRGKRZSA-N 1 2 357.360 2.945 20 30 FFEDLO N#Cc1cc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cs1 ZINC001560460386 1076274654 /nfs/dbraw/zinc/27/46/54/1076274654.db2.gz XRXFFIQXQQGQHE-ZDUSSCGKSA-N 1 2 350.241 2.698 20 30 FFEDLO CC(C)C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC001561957907 1076453465 /nfs/dbraw/zinc/45/34/65/1076453465.db2.gz SVIGLMBZJYYZHY-AWEZNQCLSA-N 1 2 355.891 2.562 20 30 FFEDLO CC(C)C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC001561957907 1076453466 /nfs/dbraw/zinc/45/34/66/1076453466.db2.gz SVIGLMBZJYYZHY-AWEZNQCLSA-N 1 2 355.891 2.562 20 30 FFEDLO C#CCC1(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC001563414760 1076553730 /nfs/dbraw/zinc/55/37/30/1076553730.db2.gz OXLZZFRRQYOCHA-HXUWFJFHSA-N 1 2 369.509 2.913 20 30 FFEDLO C#CCC1(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC001563414760 1076553733 /nfs/dbraw/zinc/55/37/33/1076553733.db2.gz OXLZZFRRQYOCHA-HXUWFJFHSA-N 1 2 369.509 2.913 20 30 FFEDLO C#CCSCCNC(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC001564114191 1076606888 /nfs/dbraw/zinc/60/68/88/1076606888.db2.gz FQMUNGHUDUBJOH-GOSISDBHSA-N 1 2 363.502 2.970 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)/C(C)=C\CC)C1 ZINC001565999512 1076835122 /nfs/dbraw/zinc/83/51/22/1076835122.db2.gz UPTRMHUEFSDMPH-PBHAHDNLSA-N 1 2 369.509 2.619 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)/C(C)=C\CC)C1 ZINC001565999512 1076835127 /nfs/dbraw/zinc/83/51/27/1076835127.db2.gz UPTRMHUEFSDMPH-PBHAHDNLSA-N 1 2 369.509 2.619 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C)n3CCC)CC[C@@H]2C1 ZINC001566048259 1076876967 /nfs/dbraw/zinc/87/69/67/1076876967.db2.gz HLHGGQWHYDANGT-MSOLQXFVSA-N 1 2 359.518 2.633 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C)n3CCC)CC[C@@H]2C1 ZINC001566048259 1076876970 /nfs/dbraw/zinc/87/69/70/1076876970.db2.gz HLHGGQWHYDANGT-MSOLQXFVSA-N 1 2 359.518 2.633 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(C)cc2)[C@@H]1C ZINC001566100578 1076904279 /nfs/dbraw/zinc/90/42/79/1076904279.db2.gz JDITTXOTGPGZET-MJGOQNOKSA-N 1 2 355.482 2.706 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C)cc2)[C@@H]1C ZINC001566100578 1076904282 /nfs/dbraw/zinc/90/42/82/1076904282.db2.gz JDITTXOTGPGZET-MJGOQNOKSA-N 1 2 355.482 2.706 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001567688189 1077044310 /nfs/dbraw/zinc/04/43/10/1077044310.db2.gz JCQWHVQKSRWLPW-IXDOHACOSA-N 1 2 350.894 2.589 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001567688189 1077044312 /nfs/dbraw/zinc/04/43/12/1077044312.db2.gz JCQWHVQKSRWLPW-IXDOHACOSA-N 1 2 350.894 2.589 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1CC)C1CC[NH+]([C@H](C)c2nnc(C)s2)CC1 ZINC001569592946 1077154076 /nfs/dbraw/zinc/15/40/76/1077154076.db2.gz IBZIOXYKDIBMEK-FRFSOERESA-N 1 2 360.527 2.880 20 30 FFEDLO COCC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3CC(C)C)cc2C1 ZINC001570314072 1077198444 /nfs/dbraw/zinc/19/84/44/1077198444.db2.gz WEFNPEZNRZZFLI-TZIWHRDSSA-N 1 2 354.494 2.950 20 30 FFEDLO COCC#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3CC(C)C)cc2C1 ZINC001570314072 1077198445 /nfs/dbraw/zinc/19/84/45/1077198445.db2.gz WEFNPEZNRZZFLI-TZIWHRDSSA-N 1 2 354.494 2.950 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1Cc1c[nH+]ccc1OC ZINC001587609276 1079826562 /nfs/dbraw/zinc/82/65/62/1079826562.db2.gz NEHOCCXZXOCEPQ-AWEZNQCLSA-N 1 2 365.412 2.994 20 30 FFEDLO C=CC[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588648431 1080137709 /nfs/dbraw/zinc/13/77/09/1080137709.db2.gz LAKKWSYSGYMRQZ-UHFFFAOYSA-N 1 2 363.347 2.797 20 30 FFEDLO C=CC[N@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588648431 1080137713 /nfs/dbraw/zinc/13/77/13/1080137713.db2.gz LAKKWSYSGYMRQZ-UHFFFAOYSA-N 1 2 363.347 2.797 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CC2(CCOCC)CC2)CC1 ZINC001588742475 1080178334 /nfs/dbraw/zinc/17/83/34/1080178334.db2.gz RRGHGUYEQCMLAR-GOSISDBHSA-N 1 2 373.545 2.754 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001588742178 1080178646 /nfs/dbraw/zinc/17/86/46/1080178646.db2.gz OYLQEIGJQKMRHK-OKYOBFRVSA-N 1 2 373.545 2.750 20 30 FFEDLO CC(=[NH+]Nc1ccc(-c2nn[nH]n2)cc1C(F)(F)F)c1ccc(N)nc1 ZINC001588780713 1080193245 /nfs/dbraw/zinc/19/32/45/1080193245.db2.gz KLBVGARAXLJSAU-UHFFFAOYSA-N 1 2 362.319 2.699 20 30 FFEDLO C=CC[NH+]1CCC(NC(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000448924338 513972110 /nfs/dbraw/zinc/97/21/10/513972110.db2.gz YKHCJAJKJOBARL-UHFFFAOYSA-N 1 2 357.223 2.674 20 30 FFEDLO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000543367114 541580445 /nfs/dbraw/zinc/58/04/45/541580445.db2.gz SKQFPPHKJKMBCQ-UHFFFAOYSA-N 1 2 369.473 2.500 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1cc(Br)ccc1F ZINC000122837987 206115109 /nfs/dbraw/zinc/11/51/09/206115109.db2.gz OUSOYZPPYAOBCX-NSHDSACASA-N 1 2 356.239 2.781 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1cc(Br)ccc1F ZINC000122837987 206115111 /nfs/dbraw/zinc/11/51/11/206115111.db2.gz OUSOYZPPYAOBCX-NSHDSACASA-N 1 2 356.239 2.781 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(N2CCCC2=O)CC1 ZINC000104728957 250183540 /nfs/dbraw/zinc/18/35/40/250183540.db2.gz RXIRYTFVVWRGKM-CYBMUJFWSA-N 1 2 374.872 2.625 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104713781 250183920 /nfs/dbraw/zinc/18/39/20/250183920.db2.gz XWBJGMPBHDGXIN-UHFFFAOYSA-N 1 2 366.446 2.973 20 30 FFEDLO C[C@@H]1SCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H]1C ZINC000118419656 250384593 /nfs/dbraw/zinc/38/45/93/250384593.db2.gz KAXZKHDUSLCGQG-KBPBESRZSA-N 1 2 355.467 2.508 20 30 FFEDLO C[C@@H]1SCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H]1C ZINC000118419656 250384597 /nfs/dbraw/zinc/38/45/97/250384597.db2.gz KAXZKHDUSLCGQG-KBPBESRZSA-N 1 2 355.467 2.508 20 30 FFEDLO Cc1ccnc(OC2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)c1 ZINC000272913489 252163993 /nfs/dbraw/zinc/16/39/93/252163993.db2.gz HUTIUFANXTWMIM-UHFFFAOYSA-N 1 2 356.451 2.805 20 30 FFEDLO CC(C)(C(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc(F)cc(C#N)c1 ZINC000285309074 256979022 /nfs/dbraw/zinc/97/90/22/256979022.db2.gz YVXPSPWINBMTCF-UHFFFAOYSA-N 1 2 352.413 2.719 20 30 FFEDLO CNc1ccc(C#N)cc1NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000286115740 257021155 /nfs/dbraw/zinc/02/11/55/257021155.db2.gz XMHUYMOHZTYSIR-UHFFFAOYSA-N 1 2 350.422 2.684 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ccc(C#N)cc1Br ZINC000286178623 257024148 /nfs/dbraw/zinc/02/41/48/257024148.db2.gz XAHVGEYKQPFBCI-CJNGLKHVSA-N 1 2 364.287 2.616 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287071304 257070422 /nfs/dbraw/zinc/07/04/22/257070422.db2.gz PZZTYHHRRYUUBI-WBVHZDCISA-N 1 2 372.469 2.672 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C3CC3)C(F)(F)F)CC2)cc1 ZINC000288510016 257198501 /nfs/dbraw/zinc/19/85/01/257198501.db2.gz XZWKNSKTSABHOC-INIZCTEOSA-N 1 2 366.387 2.726 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)C1=O ZINC000289770103 257298402 /nfs/dbraw/zinc/29/84/02/257298402.db2.gz ZTKPCRRBOBFUNT-ARFHVFGLSA-N 1 2 357.479 2.759 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)C1=O ZINC000289770103 257298403 /nfs/dbraw/zinc/29/84/03/257298403.db2.gz ZTKPCRRBOBFUNT-ARFHVFGLSA-N 1 2 357.479 2.759 20 30 FFEDLO CCCCCC(=O)NC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000299538380 258003276 /nfs/dbraw/zinc/00/32/76/258003276.db2.gz IMDCEZIZKRDXLW-UHFFFAOYSA-N 1 2 356.470 2.658 20 30 FFEDLO CC(C)Cc1noc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000299629531 258011654 /nfs/dbraw/zinc/01/16/54/258011654.db2.gz KYRDEVQMZXRVMJ-UHFFFAOYSA-N 1 2 367.453 2.990 20 30 FFEDLO N#Cc1ccc(C(F)(F)F)nc1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000302780028 258110429 /nfs/dbraw/zinc/11/04/29/258110429.db2.gz RBCULPBULLSEHE-CYBMUJFWSA-N 1 2 351.332 2.645 20 30 FFEDLO CCOC1CC(CNc2c(C#N)cnc3ccccc32)([NH+]2CCOCC2)C1 ZINC000302826693 258111829 /nfs/dbraw/zinc/11/18/29/258111829.db2.gz NAINJWOOVSZDHS-UHFFFAOYSA-N 1 2 366.465 2.788 20 30 FFEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3cccc(F)c3C#N)CC2)n1 ZINC000301582951 258057075 /nfs/dbraw/zinc/05/70/75/258057075.db2.gz VGBMWWZMUZMGNB-CYBMUJFWSA-N 1 2 359.405 2.500 20 30 FFEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3cccc(F)c3C#N)CC2)n1 ZINC000301582951 258057077 /nfs/dbraw/zinc/05/70/77/258057077.db2.gz VGBMWWZMUZMGNB-CYBMUJFWSA-N 1 2 359.405 2.500 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccn(C4CCCC4)n3)CC2)cc1 ZINC000330096164 258155018 /nfs/dbraw/zinc/15/50/18/258155018.db2.gz WXHBGZAHKXLZSZ-UHFFFAOYSA-N 1 2 363.465 2.828 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c(OC(F)F)c1 ZINC000331858181 258203481 /nfs/dbraw/zinc/20/34/81/258203481.db2.gz AWIFIBJAMMXFRE-BZUAXINKSA-N 1 2 352.381 2.521 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c(OC(F)F)c1 ZINC000331858181 258203482 /nfs/dbraw/zinc/20/34/82/258203482.db2.gz AWIFIBJAMMXFRE-BZUAXINKSA-N 1 2 352.381 2.521 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065423525 506296082 /nfs/dbraw/zinc/29/60/82/506296082.db2.gz CXTCVLFOAHWJPI-JKSUJKDBSA-N 1 2 359.470 2.830 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065423525 506296090 /nfs/dbraw/zinc/29/60/90/506296090.db2.gz CXTCVLFOAHWJPI-JKSUJKDBSA-N 1 2 359.470 2.830 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccnc3Cl)CC2)cc1 ZINC000065751951 506357431 /nfs/dbraw/zinc/35/74/31/506357431.db2.gz FCEUZDMDPHNOQA-UHFFFAOYSA-N 1 2 355.829 2.956 20 30 FFEDLO COc1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc2c1OCCO2 ZINC000377251311 512186100 /nfs/dbraw/zinc/18/61/00/512186100.db2.gz PXKCJEKCHBMLJC-FQEVSTJZSA-N 1 2 366.417 2.912 20 30 FFEDLO COc1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc2c1OCCO2 ZINC000377251311 512186105 /nfs/dbraw/zinc/18/61/05/512186105.db2.gz PXKCJEKCHBMLJC-FQEVSTJZSA-N 1 2 366.417 2.912 20 30 FFEDLO CC(C)(C#N)c1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000369128441 512240885 /nfs/dbraw/zinc/24/08/85/512240885.db2.gz UNFNXZCMPBFBLC-IBGZPJMESA-N 1 2 355.482 2.815 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)C[C@@H](C)C#N ZINC000066425033 506513706 /nfs/dbraw/zinc/51/37/06/506513706.db2.gz SNXGSDKPRSWYOV-MAUKXSAKSA-N 1 2 359.470 2.849 20 30 FFEDLO CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)C[C@@H](C)C#N ZINC000066425033 506513713 /nfs/dbraw/zinc/51/37/13/506513713.db2.gz SNXGSDKPRSWYOV-MAUKXSAKSA-N 1 2 359.470 2.849 20 30 FFEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccc1OC(F)(F)F ZINC000054984912 506654167 /nfs/dbraw/zinc/65/41/67/506654167.db2.gz GCSXQXHBHIIUNF-UHFFFAOYSA-N 1 2 368.359 2.673 20 30 FFEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccc1OC(F)(F)F ZINC000054984912 506654174 /nfs/dbraw/zinc/65/41/74/506654174.db2.gz GCSXQXHBHIIUNF-UHFFFAOYSA-N 1 2 368.359 2.673 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3nnc(C4CC4)s3)CC2)cc1 ZINC000043360163 506738690 /nfs/dbraw/zinc/73/86/90/506738690.db2.gz JFNGYLPXPCQXLU-UHFFFAOYSA-N 1 2 368.466 2.637 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(CC#N)c3)c[nH+]2)C[C@H](C)O1 ZINC000044537477 506855650 /nfs/dbraw/zinc/85/56/50/506855650.db2.gz WZIZVRJYPHKWGM-IYBDPMFKSA-N 1 2 364.449 2.691 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc1C#N ZINC000067593464 506941059 /nfs/dbraw/zinc/94/10/59/506941059.db2.gz RNCOINGVUBCJLI-MRXNPFEDSA-N 1 2 370.478 2.722 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000056411449 507007314 /nfs/dbraw/zinc/00/73/14/507007314.db2.gz GBNAXAFGRHAWJG-CQSZACIVSA-N 1 2 372.450 2.504 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000045892573 507040956 /nfs/dbraw/zinc/04/09/56/507040956.db2.gz YDEWFBZYEKCNRC-LBPRGKRZSA-N 1 2 354.797 2.943 20 30 FFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000046485522 507142462 /nfs/dbraw/zinc/14/24/62/507142462.db2.gz XIJWTKCBTGZPOJ-ZDUSSCGKSA-N 1 2 357.907 2.820 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(c2nccs2)CC1 ZINC000068255800 507163290 /nfs/dbraw/zinc/16/32/90/507163290.db2.gz VZHAGISVBGTJKY-AWEZNQCLSA-N 1 2 355.467 2.554 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(c2nccs2)CC1 ZINC000068255800 507163293 /nfs/dbraw/zinc/16/32/93/507163293.db2.gz VZHAGISVBGTJKY-AWEZNQCLSA-N 1 2 355.467 2.554 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCN(c2nccs2)CC1 ZINC000068255393 507163670 /nfs/dbraw/zinc/16/36/70/507163670.db2.gz SOSMWZMWXIQRBC-AWEZNQCLSA-N 1 2 355.467 2.554 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCN(c2nccs2)CC1 ZINC000068255393 507163676 /nfs/dbraw/zinc/16/36/76/507163676.db2.gz SOSMWZMWXIQRBC-AWEZNQCLSA-N 1 2 355.467 2.554 20 30 FFEDLO CCOc1cc2c(cc1OCC)C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CC2 ZINC000057622818 507293769 /nfs/dbraw/zinc/29/37/69/507293769.db2.gz GRQFKQGWHQVIRV-OAHLLOKOSA-N 1 2 359.470 2.603 20 30 FFEDLO CCOc1cc2c(cc1OCC)C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CC2 ZINC000057622818 507293773 /nfs/dbraw/zinc/29/37/73/507293773.db2.gz GRQFKQGWHQVIRV-OAHLLOKOSA-N 1 2 359.470 2.603 20 30 FFEDLO COCC[N@H+](CC(=O)N(C)Cc1cccs1)Cc1ccc(C#N)cc1 ZINC000058397982 507413005 /nfs/dbraw/zinc/41/30/05/507413005.db2.gz FRXXXIAMUSEXQG-UHFFFAOYSA-N 1 2 357.479 2.727 20 30 FFEDLO COCC[N@@H+](CC(=O)N(C)Cc1cccs1)Cc1ccc(C#N)cc1 ZINC000058397982 507413010 /nfs/dbraw/zinc/41/30/10/507413010.db2.gz FRXXXIAMUSEXQG-UHFFFAOYSA-N 1 2 357.479 2.727 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000058576330 507440126 /nfs/dbraw/zinc/44/01/26/507440126.db2.gz OSUSDSMVEAOLCJ-TZIWHRDSSA-N 1 2 370.424 2.705 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000058576330 507440132 /nfs/dbraw/zinc/44/01/32/507440132.db2.gz OSUSDSMVEAOLCJ-TZIWHRDSSA-N 1 2 370.424 2.705 20 30 FFEDLO CC[N@H+](CCCNC(=O)C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000049307571 507612586 /nfs/dbraw/zinc/61/25/86/507612586.db2.gz FLAKIMAEIKAORC-UHFFFAOYSA-N 1 2 350.422 2.530 20 30 FFEDLO CC[N@@H+](CCCNC(=O)C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000049307571 507612592 /nfs/dbraw/zinc/61/25/92/507612592.db2.gz FLAKIMAEIKAORC-UHFFFAOYSA-N 1 2 350.422 2.530 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1Cl ZINC000071092120 507694248 /nfs/dbraw/zinc/69/42/48/507694248.db2.gz BXJUITQRRVJHMU-UHFFFAOYSA-N 1 2 359.798 2.593 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1c(C)nn(C)c1C)Cc1cccc([N+](=O)[O-])c1 ZINC000063297571 507713930 /nfs/dbraw/zinc/71/39/30/507713930.db2.gz SEICEQLJYMTVFR-UHFFFAOYSA-N 1 2 357.414 2.572 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1c(C)nn(C)c1C)Cc1cccc([N+](=O)[O-])c1 ZINC000063297571 507713933 /nfs/dbraw/zinc/71/39/33/507713933.db2.gz SEICEQLJYMTVFR-UHFFFAOYSA-N 1 2 357.414 2.572 20 30 FFEDLO C=CC[N@H+](CC(=O)NC(=O)NC1CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297873 507714406 /nfs/dbraw/zinc/71/44/06/507714406.db2.gz HVDGQUXWHJJYCI-UHFFFAOYSA-N 1 2 374.441 2.741 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC(=O)NC1CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297873 507714413 /nfs/dbraw/zinc/71/44/13/507714413.db2.gz HVDGQUXWHJJYCI-UHFFFAOYSA-N 1 2 374.441 2.741 20 30 FFEDLO N#Cc1ccc(N2CC[C@H](N3CC[NH+](Cc4ccsc4)CC3)C2=O)cc1 ZINC000028748885 507739918 /nfs/dbraw/zinc/73/99/18/507739918.db2.gz HQJYENRSULVDHB-IBGZPJMESA-N 1 2 366.490 2.543 20 30 FFEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029449895 507778464 /nfs/dbraw/zinc/77/84/64/507778464.db2.gz PLBMWIXMJLEYHW-HNNXBMFYSA-N 1 2 367.428 2.550 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000051621468 507778681 /nfs/dbraw/zinc/77/86/81/507778681.db2.gz UOBUMVNHEJIIOD-UHFFFAOYSA-N 1 2 350.422 2.827 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000029764531 507789444 /nfs/dbraw/zinc/78/94/44/507789444.db2.gz DKOGUEPXTNZLST-INIZCTEOSA-N 1 2 360.417 2.887 20 30 FFEDLO COc1ccc([C@@H](NC(=O)c2sccc2C#N)c2[nH+]ccn2C)cc1 ZINC000052029470 507794518 /nfs/dbraw/zinc/79/45/18/507794518.db2.gz ZNVKMUZFIISTKD-OAHLLOKOSA-N 1 2 352.419 2.881 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000106869955 507825352 /nfs/dbraw/zinc/82/53/52/507825352.db2.gz ZSZVZFPRPMZUGY-MRXNPFEDSA-N 1 2 372.469 2.532 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000106869955 507825354 /nfs/dbraw/zinc/82/53/54/507825354.db2.gz ZSZVZFPRPMZUGY-MRXNPFEDSA-N 1 2 372.469 2.532 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000072895475 507869574 /nfs/dbraw/zinc/86/95/74/507869574.db2.gz GRNSFQWEBASZCA-UZLBHIALSA-N 1 2 353.470 2.747 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000072895475 507869577 /nfs/dbraw/zinc/86/95/77/507869577.db2.gz GRNSFQWEBASZCA-UZLBHIALSA-N 1 2 353.470 2.747 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(-n2cccc2)c1 ZINC000078548282 507882411 /nfs/dbraw/zinc/88/24/11/507882411.db2.gz YNUYCLAHDKBSHB-UHFFFAOYSA-N 1 2 367.453 2.557 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551330 507926820 /nfs/dbraw/zinc/92/68/20/507926820.db2.gz LTKFDQNTARMBMG-QZTJIDSGSA-N 1 2 352.394 2.528 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551330 507926822 /nfs/dbraw/zinc/92/68/22/507926822.db2.gz LTKFDQNTARMBMG-QZTJIDSGSA-N 1 2 352.394 2.528 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000073577117 507934241 /nfs/dbraw/zinc/93/42/41/507934241.db2.gz FJIKAHFYHCOESI-MRXNPFEDSA-N 1 2 365.433 2.796 20 30 FFEDLO CC(C)Cc1ncc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)s1 ZINC000091936922 508026283 /nfs/dbraw/zinc/02/62/83/508026283.db2.gz PFUOZFPTYQEWCK-CQSZACIVSA-N 1 2 356.499 2.714 20 30 FFEDLO CC(C)Cc1ncc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)s1 ZINC000091936922 508026284 /nfs/dbraw/zinc/02/62/84/508026284.db2.gz PFUOZFPTYQEWCK-CQSZACIVSA-N 1 2 356.499 2.714 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000091936806 508026348 /nfs/dbraw/zinc/02/63/48/508026348.db2.gz PWAXIRQDXJYQTE-ZDUSSCGKSA-N 1 2 356.499 2.813 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000091936806 508026349 /nfs/dbraw/zinc/02/63/49/508026349.db2.gz PWAXIRQDXJYQTE-ZDUSSCGKSA-N 1 2 356.499 2.813 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(Br)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361120 508064520 /nfs/dbraw/zinc/06/45/20/508064520.db2.gz VQCONDVGJIMFKF-AWEZNQCLSA-N 1 2 358.301 2.933 20 30 FFEDLO C=CC[N@H+](Cc1ccc(Br)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361120 508064523 /nfs/dbraw/zinc/06/45/23/508064523.db2.gz VQCONDVGJIMFKF-AWEZNQCLSA-N 1 2 358.301 2.933 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(Br)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000092361634 508064926 /nfs/dbraw/zinc/06/49/26/508064926.db2.gz NEMVHQJSFBKIIJ-OAHLLOKOSA-N 1 2 358.301 2.933 20 30 FFEDLO C=CC[N@H+](Cc1ccc(Br)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000092361634 508064927 /nfs/dbraw/zinc/06/49/27/508064927.db2.gz NEMVHQJSFBKIIJ-OAHLLOKOSA-N 1 2 358.301 2.933 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)COc1ccccc1C#N)c1ccccc1 ZINC000081318847 508161698 /nfs/dbraw/zinc/16/16/98/508161698.db2.gz PFEMVBFKYFFPDS-GOSISDBHSA-N 1 2 360.417 2.771 20 30 FFEDLO COc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554925 508246058 /nfs/dbraw/zinc/24/60/58/508246058.db2.gz FHFHYKNYGXNNFK-INIZCTEOSA-N 1 2 364.449 2.716 20 30 FFEDLO COc1cccc([C@@H](NC(=O)c2cc(C#N)cs2)c2[nH+]ccn2C)c1 ZINC000084072988 508264082 /nfs/dbraw/zinc/26/40/82/508264082.db2.gz ZSNPLAGYMRCPBJ-MRXNPFEDSA-N 1 2 352.419 2.881 20 30 FFEDLO N#Cc1cc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)ccc1F ZINC000102955749 508290349 /nfs/dbraw/zinc/29/03/49/508290349.db2.gz MPNXTUBMMQANCI-UHFFFAOYSA-N 1 2 368.412 2.926 20 30 FFEDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000103474357 508314076 /nfs/dbraw/zinc/31/40/76/508314076.db2.gz GWRFMPSGNVZAON-HNNXBMFYSA-N 1 2 357.433 2.716 20 30 FFEDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000103474357 508314078 /nfs/dbraw/zinc/31/40/78/508314078.db2.gz GWRFMPSGNVZAON-HNNXBMFYSA-N 1 2 357.433 2.716 20 30 FFEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(C#N)nc2)C[C@@H](C)O1 ZINC000115033157 508366114 /nfs/dbraw/zinc/36/61/14/508366114.db2.gz BBPDWWJYXAZQAT-HUUCEWRRSA-N 1 2 350.422 2.815 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1F ZINC000089129105 508388430 /nfs/dbraw/zinc/38/84/30/508388430.db2.gz OZLKRGIGJNPLBS-FQEVSTJZSA-N 1 2 367.424 2.995 20 30 FFEDLO COc1cc(C[N@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)ccc1SC ZINC000115538315 508405998 /nfs/dbraw/zinc/40/59/98/508405998.db2.gz HJXPVFPRMNEGJM-GOSISDBHSA-N 1 2 355.463 2.947 20 30 FFEDLO COc1cc(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)ccc1SC ZINC000115538315 508406002 /nfs/dbraw/zinc/40/60/02/508406002.db2.gz HJXPVFPRMNEGJM-GOSISDBHSA-N 1 2 355.463 2.947 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCOc1ccc(OC)cc1 ZINC000152630115 508482396 /nfs/dbraw/zinc/48/23/96/508482396.db2.gz RPRQJTQHPUWIAO-IBGZPJMESA-N 1 2 354.406 2.792 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1ccc(OC)cc1 ZINC000152630115 508482398 /nfs/dbraw/zinc/48/23/98/508482398.db2.gz RPRQJTQHPUWIAO-IBGZPJMESA-N 1 2 354.406 2.792 20 30 FFEDLO CC(C)(C)[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000122307960 508515525 /nfs/dbraw/zinc/51/55/25/508515525.db2.gz YJQPZMBLTMKSEB-INIZCTEOSA-N 1 2 372.450 2.550 20 30 FFEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3nccn3C(F)F)c2)n1 ZINC000157111809 508524225 /nfs/dbraw/zinc/52/42/25/508524225.db2.gz LHRQZBZOLRWDFO-UHFFFAOYSA-N 1 2 374.395 2.977 20 30 FFEDLO C[C@@H](C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000116876791 508569239 /nfs/dbraw/zinc/56/92/39/508569239.db2.gz HVEADFLRRREDMQ-KRWDZBQOSA-N 1 2 369.490 2.668 20 30 FFEDLO Cc1cccc(C)c1NC(=O)CCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000153318099 508571512 /nfs/dbraw/zinc/57/15/12/508571512.db2.gz ZZSZRCSJHLDCCY-UHFFFAOYSA-N 1 2 372.513 2.570 20 30 FFEDLO COCCCOC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000122722418 508578584 /nfs/dbraw/zinc/57/85/84/508578584.db2.gz ANSYDDGFAMQXRT-UHFFFAOYSA-N 1 2 365.861 2.668 20 30 FFEDLO C[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)Cn1cc[nH+]c1 ZINC000153691718 508627127 /nfs/dbraw/zinc/62/71/27/508627127.db2.gz HHEGWAOKNHAWRD-OAHLLOKOSA-N 1 2 364.405 2.993 20 30 FFEDLO FC(F)(F)Oc1ccc(C#CC[NH+]2CCN(Cc3ccon3)CC2)cc1 ZINC000153831934 508659052 /nfs/dbraw/zinc/65/90/52/508659052.db2.gz FORGBJCPQHNYEV-UHFFFAOYSA-N 1 2 365.355 2.743 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000118836704 508681939 /nfs/dbraw/zinc/68/19/39/508681939.db2.gz WPYSJMWMBYEWEJ-IRXDYDNUSA-N 1 2 363.465 2.659 20 30 FFEDLO C#CCSCCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000158347938 508691200 /nfs/dbraw/zinc/69/12/00/508691200.db2.gz DLRUAIWZYNIAIZ-IYBDPMFKSA-N 1 2 361.511 2.784 20 30 FFEDLO C#CCSCCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000158347938 508691206 /nfs/dbraw/zinc/69/12/06/508691206.db2.gz DLRUAIWZYNIAIZ-IYBDPMFKSA-N 1 2 361.511 2.784 20 30 FFEDLO C[C@H]([C@H](C)[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1)S(C)(=O)=O ZINC000154308105 508756577 /nfs/dbraw/zinc/75/65/77/508756577.db2.gz KIAOLZROQXTWQR-QWHCGFSZSA-N 1 2 363.401 2.690 20 30 FFEDLO C[C@H]([C@H](C)[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1)S(C)(=O)=O ZINC000154308105 508756580 /nfs/dbraw/zinc/75/65/80/508756580.db2.gz KIAOLZROQXTWQR-QWHCGFSZSA-N 1 2 363.401 2.690 20 30 FFEDLO CC1CCC(NC(=O)C[NH+]2CCN(Cc3cc(F)ccc3C#N)CC2)CC1 ZINC000159717140 508880094 /nfs/dbraw/zinc/88/00/94/508880094.db2.gz ILVKZYBIJJOLNF-UHFFFAOYSA-N 1 2 372.488 2.510 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000131106893 508887623 /nfs/dbraw/zinc/88/76/23/508887623.db2.gz FTOYHRVKSRXXJA-GOSISDBHSA-N 1 2 353.397 2.943 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000131106893 508887628 /nfs/dbraw/zinc/88/76/28/508887628.db2.gz FTOYHRVKSRXXJA-GOSISDBHSA-N 1 2 353.397 2.943 20 30 FFEDLO C=CCOc1cc(OC)ccc1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000124917430 508905036 /nfs/dbraw/zinc/90/50/36/508905036.db2.gz FUUMQBNLXPNFSP-UHFFFAOYSA-N 1 2 351.406 2.880 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=O)CN([C@@H]2CCC[C@H]3OCC[C@@H]32)C1=[NH2+] ZINC000155493630 509013189 /nfs/dbraw/zinc/01/31/89/509013189.db2.gz IYNCKUMVMXXBCY-HBUWYVDXSA-N 1 2 366.465 2.604 20 30 FFEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000121551681 509178280 /nfs/dbraw/zinc/17/82/80/509178280.db2.gz UXRRMLKWYICBJD-HXUWFJFHSA-N 1 2 364.449 2.718 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)c1 ZINC000266925084 509261267 /nfs/dbraw/zinc/26/12/67/509261267.db2.gz QLIZJKWLQUGEGQ-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000216592875 509261886 /nfs/dbraw/zinc/26/18/86/509261886.db2.gz JNFUQFJYXXXBOY-HKUYNNGSSA-N 1 2 354.498 2.717 20 30 FFEDLO COc1cc(NC(=O)C[N@H+](C)Cc2ccc(C#N)c(F)c2)cc(OC)c1 ZINC000192114709 509352626 /nfs/dbraw/zinc/35/26/26/509352626.db2.gz FHLGRFNQKIRWHN-UHFFFAOYSA-N 1 2 357.385 2.785 20 30 FFEDLO COc1cc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)c(F)c2)cc(OC)c1 ZINC000192114709 509352632 /nfs/dbraw/zinc/35/26/32/509352632.db2.gz FHLGRFNQKIRWHN-UHFFFAOYSA-N 1 2 357.385 2.785 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3nccc(C(C)C)n3)CC2)cc1C#N ZINC000185839248 509380016 /nfs/dbraw/zinc/38/00/16/509380016.db2.gz GOIGIUHMSPWZBQ-UHFFFAOYSA-N 1 2 351.454 2.802 20 30 FFEDLO COc1cc(C)c([C@H](C)NC(=O)C[N@H+](CCC#N)CC2CC2)cc1OC ZINC000176253464 509404709 /nfs/dbraw/zinc/40/47/09/509404709.db2.gz OHQVHOWNMBZJBZ-HNNXBMFYSA-N 1 2 359.470 2.815 20 30 FFEDLO COc1cc(C)c([C@H](C)NC(=O)C[N@@H+](CCC#N)CC2CC2)cc1OC ZINC000176253464 509404712 /nfs/dbraw/zinc/40/47/12/509404712.db2.gz OHQVHOWNMBZJBZ-HNNXBMFYSA-N 1 2 359.470 2.815 20 30 FFEDLO N#C[C@H](C(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)c1nc2ccccc2c(=O)[nH]1 ZINC000264257658 509415801 /nfs/dbraw/zinc/41/58/01/509415801.db2.gz ZHZLVBYUYLGKKR-RHSMWYFYSA-N 1 2 361.405 2.677 20 30 FFEDLO N#C[C@H](C(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1)c1nc2ccccc2c(=O)[nH]1 ZINC000264257658 509415810 /nfs/dbraw/zinc/41/58/10/509415810.db2.gz ZHZLVBYUYLGKKR-RHSMWYFYSA-N 1 2 361.405 2.677 20 30 FFEDLO C=C[C@@H](CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1ccccc1 ZINC000179461516 509455856 /nfs/dbraw/zinc/45/58/56/509455856.db2.gz VYFMPCCMDLTCIF-SFHVURJKSA-N 1 2 351.450 2.894 20 30 FFEDLO COCC[NH+](CCOC)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000264477526 509552742 /nfs/dbraw/zinc/55/27/42/509552742.db2.gz PEJJSECCECOTPN-HNNXBMFYSA-N 1 2 365.499 2.614 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000249110089 509608908 /nfs/dbraw/zinc/60/89/08/509608908.db2.gz RDLDRQREUHLIRB-SJLPKXTDSA-N 1 2 357.360 2.717 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000249110089 509608913 /nfs/dbraw/zinc/60/89/13/509608913.db2.gz RDLDRQREUHLIRB-SJLPKXTDSA-N 1 2 357.360 2.717 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCNC(=O)C[C@H]3c3ccccc3)o2)cc1 ZINC000173611997 509674445 /nfs/dbraw/zinc/67/44/45/509674445.db2.gz GSNCNLDIVKUHMF-SFHVURJKSA-N 1 2 373.416 2.671 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCNC(=O)C[C@H]3c3ccccc3)o2)cc1 ZINC000173611997 509674451 /nfs/dbraw/zinc/67/44/51/509674451.db2.gz GSNCNLDIVKUHMF-SFHVURJKSA-N 1 2 373.416 2.671 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCNC(=O)C[C@@H]3c3ccccc3)o2)cc1 ZINC000173612010 509675301 /nfs/dbraw/zinc/67/53/01/509675301.db2.gz GSNCNLDIVKUHMF-GOSISDBHSA-N 1 2 373.416 2.671 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCNC(=O)C[C@@H]3c3ccccc3)o2)cc1 ZINC000173612010 509675310 /nfs/dbraw/zinc/67/53/10/509675310.db2.gz GSNCNLDIVKUHMF-GOSISDBHSA-N 1 2 373.416 2.671 20 30 FFEDLO CN(CCC#N)c1ccc(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000267940932 509680632 /nfs/dbraw/zinc/68/06/32/509680632.db2.gz QFMXFSORGLASHT-SFHVURJKSA-N 1 2 355.463 2.655 20 30 FFEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1O ZINC000189871652 509801417 /nfs/dbraw/zinc/80/14/17/509801417.db2.gz YYUWQAFLAFJJIT-UHFFFAOYSA-N 1 2 355.825 2.875 20 30 FFEDLO N#CCCCCNC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000170887137 509832605 /nfs/dbraw/zinc/83/26/05/509832605.db2.gz JAEDFKCXWRLTAD-UHFFFAOYSA-N 1 2 364.877 2.740 20 30 FFEDLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177058362 509846704 /nfs/dbraw/zinc/84/67/04/509846704.db2.gz FYKCNZROTJPYAU-JKSUJKDBSA-N 1 2 369.494 2.913 20 30 FFEDLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177058362 509846713 /nfs/dbraw/zinc/84/67/13/509846713.db2.gz FYKCNZROTJPYAU-JKSUJKDBSA-N 1 2 369.494 2.913 20 30 FFEDLO CC(C)c1[nH+]c2c(n1C)CCN([C@@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000177060350 509848477 /nfs/dbraw/zinc/84/84/77/509848477.db2.gz GFPQEFBXRSHMGA-MRXNPFEDSA-N 1 2 369.494 2.640 20 30 FFEDLO C=CCCCCC[NH+]1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000193304796 509858342 /nfs/dbraw/zinc/85/83/42/509858342.db2.gz IOZZGJVJELXAIG-UHFFFAOYSA-N 1 2 364.511 2.942 20 30 FFEDLO CCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000245201895 509883486 /nfs/dbraw/zinc/88/34/86/509883486.db2.gz VBWUDDNXJVYYIA-QRWLVFNGSA-N 1 2 356.470 2.534 20 30 FFEDLO CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000245201895 509883490 /nfs/dbraw/zinc/88/34/90/509883490.db2.gz VBWUDDNXJVYYIA-QRWLVFNGSA-N 1 2 356.470 2.534 20 30 FFEDLO N#Cc1ccc(C(F)(F)F)nc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000265183430 509906606 /nfs/dbraw/zinc/90/66/06/509906606.db2.gz JMSZKLDNJDANNP-UHFFFAOYSA-N 1 2 363.343 2.816 20 30 FFEDLO CCn1c(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)nc2cc(F)ccc21 ZINC000171054055 509911955 /nfs/dbraw/zinc/91/19/55/509911955.db2.gz HFHQWQTZQAYPNG-UHFFFAOYSA-N 1 2 364.428 2.784 20 30 FFEDLO CCO[C@H](C)c1noc(CN2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000174047422 509923175 /nfs/dbraw/zinc/92/31/75/509923175.db2.gz OABBCBOXXNTAHH-JKSUJKDBSA-N 1 2 369.469 2.918 20 30 FFEDLO C[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000174089633 509944287 /nfs/dbraw/zinc/94/42/87/509944287.db2.gz XEJVTIDEJQCADM-VXGBXAGGSA-N 1 2 370.375 2.808 20 30 FFEDLO O=S(=O)(NC1CCCC1)[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000183757263 509960601 /nfs/dbraw/zinc/96/06/01/509960601.db2.gz FUJQFNAFYPLFLL-IBGZPJMESA-N 1 2 364.486 2.504 20 30 FFEDLO O=S(=O)(NC1CCCC1)[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000183757263 509960605 /nfs/dbraw/zinc/96/06/05/509960605.db2.gz FUJQFNAFYPLFLL-IBGZPJMESA-N 1 2 364.486 2.504 20 30 FFEDLO N#Cc1cc(F)ccc1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000193600022 509984861 /nfs/dbraw/zinc/98/48/61/509984861.db2.gz IXJWCGKLZYUDAC-INIZCTEOSA-N 1 2 374.441 2.954 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000177374294 510020420 /nfs/dbraw/zinc/02/04/20/510020420.db2.gz DKSOOTVSIUKHCI-ZDUSSCGKSA-N 1 2 363.483 2.839 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000177374294 510020428 /nfs/dbraw/zinc/02/04/28/510020428.db2.gz DKSOOTVSIUKHCI-ZDUSSCGKSA-N 1 2 363.483 2.839 20 30 FFEDLO N#Cc1ccc(F)c(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000174265172 510030126 /nfs/dbraw/zinc/03/01/26/510030126.db2.gz PBHFDKNCXSYEGB-OAHLLOKOSA-N 1 2 362.202 2.776 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245616822 510041563 /nfs/dbraw/zinc/04/15/63/510041563.db2.gz NIAKNRFJGYWKHK-HKUYNNGSSA-N 1 2 355.482 2.661 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245616822 510041567 /nfs/dbraw/zinc/04/15/67/510041567.db2.gz NIAKNRFJGYWKHK-HKUYNNGSSA-N 1 2 355.482 2.661 20 30 FFEDLO CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193769205 510060476 /nfs/dbraw/zinc/06/04/76/510060476.db2.gz DONSTBFGFWFPED-MRXNPFEDSA-N 1 2 363.465 2.665 20 30 FFEDLO N#CCCN(CC(F)(F)F)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000174434390 510114011 /nfs/dbraw/zinc/11/40/11/510114011.db2.gz JFQQZFAPBQWWDG-UHFFFAOYSA-N 1 2 367.287 2.699 20 30 FFEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000177728483 510221493 /nfs/dbraw/zinc/22/14/93/510221493.db2.gz RKUDVVIIIFZNIY-MCFWBGNESA-N 1 2 361.492 2.989 20 30 FFEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000177728483 510221497 /nfs/dbraw/zinc/22/14/97/510221497.db2.gz RKUDVVIIIFZNIY-MCFWBGNESA-N 1 2 361.492 2.989 20 30 FFEDLO N#Cc1ccccc1N1CCCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177769662 510243604 /nfs/dbraw/zinc/24/36/04/510243604.db2.gz ZWRLDEJLVPIHRK-UHFFFAOYSA-N 1 2 374.448 2.628 20 30 FFEDLO N#CCCn1ccc(NC(=O)NCc2[nH+]ccn2CCc2ccccc2)n1 ZINC000177863452 510298027 /nfs/dbraw/zinc/29/80/27/510298027.db2.gz FFXCAOQLIFJSRB-UHFFFAOYSA-N 1 2 363.425 2.558 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(-c4ccco4)s3)CC2)nc1 ZINC000194325196 510314076 /nfs/dbraw/zinc/31/40/76/510314076.db2.gz RTCQDVXIVOAWHG-UHFFFAOYSA-N 1 2 351.435 2.992 20 30 FFEDLO C=C(C)COCCNC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000178003952 510369954 /nfs/dbraw/zinc/36/99/54/510369954.db2.gz PJSFOICNJXURRP-UHFFFAOYSA-N 1 2 361.486 2.505 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C(F)(F)F)c1 ZINC000246223353 510374781 /nfs/dbraw/zinc/37/47/81/510374781.db2.gz ZTVDYUMRTXYGSU-GDBMZVCRSA-N 1 2 371.403 2.794 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C(F)(F)F)c1 ZINC000246223353 510374785 /nfs/dbraw/zinc/37/47/85/510374785.db2.gz ZTVDYUMRTXYGSU-GDBMZVCRSA-N 1 2 371.403 2.794 20 30 FFEDLO N#CCCCCS(=O)(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000181379075 510381908 /nfs/dbraw/zinc/38/19/08/510381908.db2.gz CJDXZTCVVYOAHL-UHFFFAOYSA-N 1 2 372.494 2.508 20 30 FFEDLO N#C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000181437654 510407702 /nfs/dbraw/zinc/40/77/02/510407702.db2.gz MOXOQLBIILGKNR-HNNXBMFYSA-N 1 2 360.259 2.555 20 30 FFEDLO C[N@H+](Cc1ccc([S@](C)=O)cc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246291703 510409350 /nfs/dbraw/zinc/40/93/50/510409350.db2.gz BBAQPDUQKYGIPA-LMKMVOKYSA-N 1 2 373.503 2.594 20 30 FFEDLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246291703 510409357 /nfs/dbraw/zinc/40/93/57/510409357.db2.gz BBAQPDUQKYGIPA-LMKMVOKYSA-N 1 2 373.503 2.594 20 30 FFEDLO C=CC[N@@H+](Cc1nn2c(nc(C)cc2=O)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000194532370 510411081 /nfs/dbraw/zinc/41/10/81/510411081.db2.gz UDTXHIQEIVPBMO-UHFFFAOYSA-N 1 2 371.422 2.556 20 30 FFEDLO C=CC[N@H+](Cc1nn2c(nc(C)cc2=O)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000194532370 510411089 /nfs/dbraw/zinc/41/10/89/510411089.db2.gz UDTXHIQEIVPBMO-UHFFFAOYSA-N 1 2 371.422 2.556 20 30 FFEDLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C#N)c(O)c2)cc1F ZINC000191001442 510460539 /nfs/dbraw/zinc/46/05/39/510460539.db2.gz KOXDGAXZQHDWHP-UHFFFAOYSA-N 1 2 350.353 2.827 20 30 FFEDLO C=CC[N@@H+](Cc1cc(Br)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000172015068 510500168 /nfs/dbraw/zinc/50/01/68/510500168.db2.gz HDALLCMUOYCYIT-LLVKDONJSA-N 1 2 350.303 2.686 20 30 FFEDLO C=CC[N@H+](Cc1cc(Br)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000172015068 510500178 /nfs/dbraw/zinc/50/01/78/510500178.db2.gz HDALLCMUOYCYIT-LLVKDONJSA-N 1 2 350.303 2.686 20 30 FFEDLO C=CCNC(=O)CNC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000181733885 510564956 /nfs/dbraw/zinc/56/49/56/510564956.db2.gz LJTNJVWHMNZPMG-UHFFFAOYSA-N 1 2 354.454 2.502 20 30 FFEDLO CCOC(=O)CC[C@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246605186 510579989 /nfs/dbraw/zinc/57/99/89/510579989.db2.gz HMQUARQAAKVAAW-DNVCBOLYSA-N 1 2 358.438 2.828 20 30 FFEDLO CCOC(=O)CC[C@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246605186 510579995 /nfs/dbraw/zinc/57/99/95/510579995.db2.gz HMQUARQAAKVAAW-DNVCBOLYSA-N 1 2 358.438 2.828 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185102728 510688004 /nfs/dbraw/zinc/68/80/04/510688004.db2.gz UWLSVPVRFYPNMG-STQMWFEESA-N 1 2 359.405 2.534 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000266754217 510767668 /nfs/dbraw/zinc/76/76/68/510767668.db2.gz QYVIVXJOLBVGOA-IUODEOHRSA-N 1 2 373.400 2.628 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000266754217 510767677 /nfs/dbraw/zinc/76/76/77/510767677.db2.gz QYVIVXJOLBVGOA-IUODEOHRSA-N 1 2 373.400 2.628 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2c(Br)cccc2C1 ZINC000195330101 510788067 /nfs/dbraw/zinc/78/80/67/510788067.db2.gz TWMDEIZAHBIYMU-LBPRGKRZSA-N 1 2 350.260 2.568 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCc2c(Br)cccc2C1 ZINC000195330101 510788071 /nfs/dbraw/zinc/78/80/71/510788071.db2.gz TWMDEIZAHBIYMU-LBPRGKRZSA-N 1 2 350.260 2.568 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)C1CC1 ZINC000247223658 510853267 /nfs/dbraw/zinc/85/32/67/510853267.db2.gz XVPGHMHKUREMIX-FOIQADDNSA-N 1 2 357.429 2.529 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)C1CC1 ZINC000247223658 510853268 /nfs/dbraw/zinc/85/32/68/510853268.db2.gz XVPGHMHKUREMIX-FOIQADDNSA-N 1 2 357.429 2.529 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccncc3C(F)(F)F)CC2)cc1 ZINC000282185543 510877714 /nfs/dbraw/zinc/87/77/14/510877714.db2.gz PDQGATNJYCBJIX-UHFFFAOYSA-N 1 2 374.366 2.930 20 30 FFEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCSC[C@H]1c1nccs1 ZINC000329922586 510878651 /nfs/dbraw/zinc/87/86/51/510878651.db2.gz IBQDCZNKJICFJV-STQMWFEESA-N 1 2 363.512 2.921 20 30 FFEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4nc(C5CC5)sc4c3)C[C@H]21 ZINC000329924174 510879229 /nfs/dbraw/zinc/87/92/29/510879229.db2.gz IVTLSYDZWLHTPW-CABCVRRESA-N 1 2 358.467 2.734 20 30 FFEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4nc(C5CC5)sc4c3)C[C@H]21 ZINC000329924174 510879234 /nfs/dbraw/zinc/87/92/34/510879234.db2.gz IVTLSYDZWLHTPW-CABCVRRESA-N 1 2 358.467 2.734 20 30 FFEDLO CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)c1 ZINC000329955105 510885631 /nfs/dbraw/zinc/88/56/31/510885631.db2.gz OVYMNWPUZTYQKW-OXJNMPFZSA-N 1 2 362.470 2.810 20 30 FFEDLO CC(C)Oc1cccc(CNC(=O)C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)c1 ZINC000329955105 510885636 /nfs/dbraw/zinc/88/56/36/510885636.db2.gz OVYMNWPUZTYQKW-OXJNMPFZSA-N 1 2 362.470 2.810 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC2CCCCCC2)cn1 ZINC000329956806 510887081 /nfs/dbraw/zinc/88/70/81/510887081.db2.gz PUDXHJQIUFGDAZ-RDJZCZTQSA-N 1 2 351.470 2.559 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC2CCCCCC2)cn1 ZINC000329956806 510887088 /nfs/dbraw/zinc/88/70/88/510887088.db2.gz PUDXHJQIUFGDAZ-RDJZCZTQSA-N 1 2 351.470 2.559 20 30 FFEDLO Cc1cccc2c1OCC[C@H]2NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000329971596 510889517 /nfs/dbraw/zinc/88/95/17/510889517.db2.gz VPEDESAQHPBRHW-KYJSFNMBSA-N 1 2 370.453 2.976 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)Nc1ccc(C)cn1 ZINC000329974333 510890889 /nfs/dbraw/zinc/89/08/89/510890889.db2.gz ZBULZBKIVSAHKD-GJZGRUSLSA-N 1 2 361.421 2.933 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)Nc1ccc(C)cn1 ZINC000329974333 510890894 /nfs/dbraw/zinc/89/08/94/510890894.db2.gz ZBULZBKIVSAHKD-GJZGRUSLSA-N 1 2 361.421 2.933 20 30 FFEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)NCC1C(C)(C)C1(C)C ZINC000330008580 510900286 /nfs/dbraw/zinc/90/02/86/510900286.db2.gz FOBDCHOIXYVUOX-KBPBESRZSA-N 1 2 365.497 2.518 20 30 FFEDLO Cc1cc(NC(=O)c2cn([C@@H]3CCOC3)nn2)c[nH+]c1N1CCCC[C@@H]1C ZINC000330055281 510907661 /nfs/dbraw/zinc/90/76/61/510907661.db2.gz UCQMMNMZPHVARE-GOEBONIOSA-N 1 2 370.457 2.958 20 30 FFEDLO CC(C)(C(=O)N1CC[NH+](Cc2ccco2)CC1)c1cc(F)cc(C#N)c1 ZINC000285468251 510918567 /nfs/dbraw/zinc/91/85/67/510918567.db2.gz NRKFUFOBUQETFK-UHFFFAOYSA-N 1 2 355.413 2.912 20 30 FFEDLO Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000330163922 510928791 /nfs/dbraw/zinc/92/87/91/510928791.db2.gz VNEDATSZGXEVAE-ZWOKBUDYSA-N 1 2 362.470 2.599 20 30 FFEDLO Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000330163922 510928797 /nfs/dbraw/zinc/92/87/97/510928797.db2.gz VNEDATSZGXEVAE-ZWOKBUDYSA-N 1 2 362.470 2.599 20 30 FFEDLO C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)NCc1ccccc1CN1CCCC1=O ZINC000330176427 510931211 /nfs/dbraw/zinc/93/12/11/510931211.db2.gz JYKCSDNOPYLOOA-INIZCTEOSA-N 1 2 373.497 2.765 20 30 FFEDLO C[C@H]1COC(C)(C)C[N@H+]1CC(=O)NCc1ccccc1CN1CCCC1=O ZINC000330176427 510931215 /nfs/dbraw/zinc/93/12/15/510931215.db2.gz JYKCSDNOPYLOOA-INIZCTEOSA-N 1 2 373.497 2.765 20 30 FFEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000276455794 510938184 /nfs/dbraw/zinc/93/81/84/510938184.db2.gz KMDNIGHGEJPODW-UHFFFAOYSA-N 1 2 354.454 2.869 20 30 FFEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@]1(c2ccccc2)CCCCC1=O ZINC000276497255 510940000 /nfs/dbraw/zinc/94/00/00/510940000.db2.gz WZZCPZNVAYZNCW-OAQYLSRUSA-N 1 2 366.465 2.613 20 30 FFEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@@]1(c2ccccc2)CCCCC1=O ZINC000276497255 510940006 /nfs/dbraw/zinc/94/00/06/510940006.db2.gz WZZCPZNVAYZNCW-OAQYLSRUSA-N 1 2 366.465 2.613 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000294092057 510952935 /nfs/dbraw/zinc/95/29/35/510952935.db2.gz LVYQWPSJHGWUDR-GOSISDBHSA-N 1 2 351.454 2.618 20 30 FFEDLO CS[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C1 ZINC000330334815 510967095 /nfs/dbraw/zinc/96/70/95/510967095.db2.gz QZQYEWDGJXJTFN-DSJMHWKBSA-N 1 2 352.504 2.818 20 30 FFEDLO C[C@H](NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)c1ccc2c(c1)OCO2 ZINC000330336085 510968710 /nfs/dbraw/zinc/96/87/10/510968710.db2.gz SCAAXYRBXDPPSQ-QEORTHHSSA-N 1 2 372.425 2.634 20 30 FFEDLO C[C@@H](C#N)CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000360941578 510970163 /nfs/dbraw/zinc/97/01/63/510970163.db2.gz QDAPIKYEUNLJKR-UONOGXRCSA-N 1 2 350.413 2.730 20 30 FFEDLO C[C@@H](C#N)CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000360941578 510970166 /nfs/dbraw/zinc/97/01/66/510970166.db2.gz QDAPIKYEUNLJKR-UONOGXRCSA-N 1 2 350.413 2.730 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)Nc2ccc3c(c2)OC(C)(C)O3)CCO1 ZINC000330355111 510973474 /nfs/dbraw/zinc/97/34/74/510973474.db2.gz QFXNNSKABKJRBV-CZUORRHYSA-N 1 2 372.425 2.983 20 30 FFEDLO CC1(C)C[N@H+](CCNC(=O)Nc2ncc(C(F)(F)F)s2)CCO1 ZINC000330428502 510980621 /nfs/dbraw/zinc/98/06/21/510980621.db2.gz HTZVTQVDFPXIGX-UHFFFAOYSA-N 1 2 352.382 2.599 20 30 FFEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2ncc(C(F)(F)F)s2)CCO1 ZINC000330428502 510980625 /nfs/dbraw/zinc/98/06/25/510980625.db2.gz HTZVTQVDFPXIGX-UHFFFAOYSA-N 1 2 352.382 2.599 20 30 FFEDLO CC(=O)N1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC12CCCCC2 ZINC000270841887 511002266 /nfs/dbraw/zinc/00/22/66/511002266.db2.gz GADUWBNTPIJJQG-INIZCTEOSA-N 1 2 368.481 2.752 20 30 FFEDLO CC(=O)N1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC12CCCCC2 ZINC000270841887 511002270 /nfs/dbraw/zinc/00/22/70/511002270.db2.gz GADUWBNTPIJJQG-INIZCTEOSA-N 1 2 368.481 2.752 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)NC[C@H](O)C(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000330831438 511020954 /nfs/dbraw/zinc/02/09/54/511020954.db2.gz YDQLRYOTWRHRRB-ZOBUZTSGSA-N 1 2 373.419 2.760 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)NC[C@H](O)C(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000330831438 511020959 /nfs/dbraw/zinc/02/09/59/511020959.db2.gz YDQLRYOTWRHRRB-ZOBUZTSGSA-N 1 2 373.419 2.760 20 30 FFEDLO CCC[N@H+](CC(=O)OCC)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279336730 511049412 /nfs/dbraw/zinc/04/94/12/511049412.db2.gz DMYUJARTNBTJIZ-UHFFFAOYSA-N 1 2 355.442 2.634 20 30 FFEDLO CCC[N@@H+](CC(=O)OCC)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279336730 511049416 /nfs/dbraw/zinc/04/94/16/511049416.db2.gz DMYUJARTNBTJIZ-UHFFFAOYSA-N 1 2 355.442 2.634 20 30 FFEDLO COC(=O)[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc2c(c1)CCO2 ZINC000297808189 511074509 /nfs/dbraw/zinc/07/45/09/511074509.db2.gz XXMMFZJYSYDWPH-GOSISDBHSA-N 1 2 358.438 2.526 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(C)(C#N)CC3)c[nH+]2)C[C@H](C)O1 ZINC000332046873 511075995 /nfs/dbraw/zinc/07/59/95/511075995.db2.gz KVWSTZJJXJTVFW-IYBDPMFKSA-N 1 2 371.485 2.530 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(F)c1Cl ZINC000288802642 511086744 /nfs/dbraw/zinc/08/67/44/511086744.db2.gz FJEHEPOQAPFLEF-UHFFFAOYSA-N 1 2 354.813 2.559 20 30 FFEDLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279501729 511106746 /nfs/dbraw/zinc/10/67/46/511106746.db2.gz ZHHVRTYUKYQGSE-HNNXBMFYSA-N 1 2 355.442 2.631 20 30 FFEDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279501729 511106748 /nfs/dbraw/zinc/10/67/48/511106748.db2.gz ZHHVRTYUKYQGSE-HNNXBMFYSA-N 1 2 355.442 2.631 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1)CCC2 ZINC000298350520 511254771 /nfs/dbraw/zinc/25/47/71/511254771.db2.gz MNAZAODMMBQLKW-CQSZACIVSA-N 1 2 370.482 2.782 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCCC[C@@H]1c1nnc[nH]1)CCC2 ZINC000298350520 511254775 /nfs/dbraw/zinc/25/47/75/511254775.db2.gz MNAZAODMMBQLKW-CQSZACIVSA-N 1 2 370.482 2.782 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](c3ccncc3)C2)C1=O ZINC000298473125 511295707 /nfs/dbraw/zinc/29/57/07/511295707.db2.gz ITMLBDPVRBROAN-SJORKVTESA-N 1 2 352.463 3.000 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](c3ccncc3)C2)C1=O ZINC000298473125 511295712 /nfs/dbraw/zinc/29/57/12/511295712.db2.gz ITMLBDPVRBROAN-SJORKVTESA-N 1 2 352.463 3.000 20 30 FFEDLO C#CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1)c1ccccc1 ZINC000271755748 511312088 /nfs/dbraw/zinc/31/20/88/511312088.db2.gz YQPXUIPBPHZOSS-GOSISDBHSA-N 1 2 358.463 2.918 20 30 FFEDLO CSc1cccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292075868 511455780 /nfs/dbraw/zinc/45/57/80/511455780.db2.gz DDGQBZYDSDIDDB-MRXNPFEDSA-N 1 2 368.462 2.767 20 30 FFEDLO CSc1cccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292075868 511455782 /nfs/dbraw/zinc/45/57/82/511455782.db2.gz DDGQBZYDSDIDDB-MRXNPFEDSA-N 1 2 368.462 2.767 20 30 FFEDLO CC(C)n1cnnc1C[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000292117292 511472113 /nfs/dbraw/zinc/47/21/13/511472113.db2.gz ABFIUBDJKDTBME-UHFFFAOYSA-N 1 2 360.849 2.845 20 30 FFEDLO CC(C)n1cnnc1C[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000292117292 511472115 /nfs/dbraw/zinc/47/21/15/511472115.db2.gz ABFIUBDJKDTBME-UHFFFAOYSA-N 1 2 360.849 2.845 20 30 FFEDLO CCOc1cc(C[NH+]2CCC(C)(C#N)CC2)nc2nc(C(F)(F)F)nn21 ZINC000272651154 511502645 /nfs/dbraw/zinc/50/26/45/511502645.db2.gz ZIFJXXGPCMUYDT-UHFFFAOYSA-N 1 2 368.363 2.667 20 30 FFEDLO N#CC1(NC(=O)C2CCN(c3ccc4cccc(O)c4[nH+]3)CC2)CCC1 ZINC000272756473 511506941 /nfs/dbraw/zinc/50/69/41/511506941.db2.gz KSQQPYJJOMWPSJ-UHFFFAOYSA-N 1 2 350.422 2.719 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cncc(Br)c3)C2)nc1 ZINC000292254597 511524126 /nfs/dbraw/zinc/52/41/26/511524126.db2.gz RCBCXNMCVQGCAN-HNNXBMFYSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cncc(Br)c3)C2)nc1 ZINC000292254597 511524131 /nfs/dbraw/zinc/52/41/31/511524131.db2.gz RCBCXNMCVQGCAN-HNNXBMFYSA-N 1 2 359.227 2.764 20 30 FFEDLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292288938 511539566 /nfs/dbraw/zinc/53/95/66/511539566.db2.gz UCIUVKSAZYVGNS-SWLSCSKDSA-N 1 2 372.375 2.712 20 30 FFEDLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292288938 511539573 /nfs/dbraw/zinc/53/95/73/511539573.db2.gz UCIUVKSAZYVGNS-SWLSCSKDSA-N 1 2 372.375 2.712 20 30 FFEDLO C=CCCCCCN(C)C(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000283937577 511549814 /nfs/dbraw/zinc/54/98/14/511549814.db2.gz FVACBIFYAVBKCB-UHFFFAOYSA-N 1 2 358.486 2.503 20 30 FFEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292352201 511563459 /nfs/dbraw/zinc/56/34/59/511563459.db2.gz XNMKCGCGDITDHH-PBHICJAKSA-N 1 2 371.462 2.571 20 30 FFEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292352201 511563463 /nfs/dbraw/zinc/56/34/63/511563463.db2.gz XNMKCGCGDITDHH-PBHICJAKSA-N 1 2 371.462 2.571 20 30 FFEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292352207 511563492 /nfs/dbraw/zinc/56/34/92/511563492.db2.gz XNMKCGCGDITDHH-WMLDXEAASA-N 1 2 371.462 2.571 20 30 FFEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292352207 511563496 /nfs/dbraw/zinc/56/34/96/511563496.db2.gz XNMKCGCGDITDHH-WMLDXEAASA-N 1 2 371.462 2.571 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000280857861 511631086 /nfs/dbraw/zinc/63/10/86/511631086.db2.gz CINQTKPSWQEIHJ-QBIMZIAESA-N 1 2 367.440 2.848 20 30 FFEDLO Cc1cccc(OCCCCC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000299539756 511661302 /nfs/dbraw/zinc/66/13/02/511661302.db2.gz QDEMSLPRFLOVOM-UHFFFAOYSA-N 1 2 373.497 2.619 20 30 FFEDLO C#CCNC(=O)c1ccc(NCc2ccc(N3CCCCCC3)[nH+]c2)nc1 ZINC000301233887 511692201 /nfs/dbraw/zinc/69/22/01/511692201.db2.gz KPGBNAHRPDANJK-UHFFFAOYSA-N 1 2 363.465 2.832 20 30 FFEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000281409501 511837455 /nfs/dbraw/zinc/83/74/55/511837455.db2.gz MVFOBJZGUOHVEP-IEBWSBKVSA-N 1 2 354.454 2.712 20 30 FFEDLO C[C@@H]1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)[C@@H]1CO ZINC000328618606 511894903 /nfs/dbraw/zinc/89/49/03/511894903.db2.gz VGBMSCBWSMJPSH-UMVBOHGHSA-N 1 2 352.504 2.623 20 30 FFEDLO C[C@@H]1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)[C@@H]1CO ZINC000328618606 511894906 /nfs/dbraw/zinc/89/49/06/511894906.db2.gz VGBMSCBWSMJPSH-UMVBOHGHSA-N 1 2 352.504 2.623 20 30 FFEDLO C[C@H]1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)[C@H]1CO ZINC000328618604 511894973 /nfs/dbraw/zinc/89/49/73/511894973.db2.gz VGBMSCBWSMJPSH-IPYPFGDCSA-N 1 2 352.504 2.623 20 30 FFEDLO C[C@H]1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)[C@H]1CO ZINC000328618604 511894980 /nfs/dbraw/zinc/89/49/80/511894980.db2.gz VGBMSCBWSMJPSH-IPYPFGDCSA-N 1 2 352.504 2.623 20 30 FFEDLO C[N@@H+](CC(=O)Nc1nncs1)C[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000328639486 511904497 /nfs/dbraw/zinc/90/44/97/511904497.db2.gz PONWPYCTCDLONC-RYUDHWBXSA-N 1 2 369.491 2.732 20 30 FFEDLO C[N@H+](CC(=O)Nc1nncs1)C[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000328639486 511904501 /nfs/dbraw/zinc/90/45/01/511904501.db2.gz PONWPYCTCDLONC-RYUDHWBXSA-N 1 2 369.491 2.732 20 30 FFEDLO CN(CC(=O)Nc1nncs1)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000328639486 511904507 /nfs/dbraw/zinc/90/45/07/511904507.db2.gz PONWPYCTCDLONC-RYUDHWBXSA-N 1 2 369.491 2.732 20 30 FFEDLO CN(CC(=O)Nc1nncs1)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000328639486 511904511 /nfs/dbraw/zinc/90/45/11/511904511.db2.gz PONWPYCTCDLONC-RYUDHWBXSA-N 1 2 369.491 2.732 20 30 FFEDLO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC000328693011 511916143 /nfs/dbraw/zinc/91/61/43/511916143.db2.gz JMMYEGDPLRIXAU-HNNXBMFYSA-N 1 2 368.524 2.567 20 30 FFEDLO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000328796111 511932654 /nfs/dbraw/zinc/93/26/54/511932654.db2.gz UMERKJPYNZLLKR-OAHLLOKOSA-N 1 2 364.471 2.825 20 30 FFEDLO C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000328908355 511949383 /nfs/dbraw/zinc/94/93/83/511949383.db2.gz CWSYUEZVTPIFOP-UZLBHIALSA-N 1 2 367.497 2.775 20 30 FFEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1scnc1C1CC1 ZINC000328913202 511949512 /nfs/dbraw/zinc/94/95/12/511949512.db2.gz HYRCJYKJNOJOKO-MRXNPFEDSA-N 1 2 368.528 2.554 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1)CCC2 ZINC000328927250 511951483 /nfs/dbraw/zinc/95/14/83/511951483.db2.gz FQGOXGGENCXJDY-HRCADAONSA-N 1 2 359.474 2.814 20 30 FFEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@](C)(O)C3)n2)C1 ZINC000328945394 511954520 /nfs/dbraw/zinc/95/45/20/511954520.db2.gz AXCJCDRUYVZJHJ-GUYCJALGSA-N 1 2 352.504 2.767 20 30 FFEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@](C)(O)C3)n2)C1 ZINC000328945394 511954526 /nfs/dbraw/zinc/95/45/26/511954526.db2.gz AXCJCDRUYVZJHJ-GUYCJALGSA-N 1 2 352.504 2.767 20 30 FFEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC(OC2CCCCC2)CC1 ZINC000328944657 511954677 /nfs/dbraw/zinc/95/46/77/511954677.db2.gz UUUWFZSVAMPXGI-UHFFFAOYSA-N 1 2 367.534 2.825 20 30 FFEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCC(OC2CCCCC2)CC1 ZINC000328944657 511954682 /nfs/dbraw/zinc/95/46/82/511954682.db2.gz UUUWFZSVAMPXGI-UHFFFAOYSA-N 1 2 367.534 2.825 20 30 FFEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329037432 511972120 /nfs/dbraw/zinc/97/21/20/511972120.db2.gz NHJGWILNKKPYKA-JSGCOSHPSA-N 1 2 358.446 2.763 20 30 FFEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329037432 511972128 /nfs/dbraw/zinc/97/21/28/511972128.db2.gz NHJGWILNKKPYKA-JSGCOSHPSA-N 1 2 358.446 2.763 20 30 FFEDLO COc1ccc([C@H](NC(=O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)C2CC2)cc1 ZINC000329038219 511972391 /nfs/dbraw/zinc/97/23/91/511972391.db2.gz CTSGRPSQTKGWLE-NHCUHLMSSA-N 1 2 374.481 2.984 20 30 FFEDLO COc1ccc([C@H](NC(=O)C[N@H+]2CCO[C@]3(CCCOC3)C2)C2CC2)cc1 ZINC000329038219 511972393 /nfs/dbraw/zinc/97/23/93/511972393.db2.gz CTSGRPSQTKGWLE-NHCUHLMSSA-N 1 2 374.481 2.984 20 30 FFEDLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)o1 ZINC000364134023 511975113 /nfs/dbraw/zinc/97/51/13/511975113.db2.gz DEPPAOVJPJYLHC-GOSISDBHSA-N 1 2 353.422 2.751 20 30 FFEDLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)o1 ZINC000364134023 511975117 /nfs/dbraw/zinc/97/51/17/511975117.db2.gz DEPPAOVJPJYLHC-GOSISDBHSA-N 1 2 353.422 2.751 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)[C@H]2CCC(C)(C)O2)CCC(=O)N1C1CC1 ZINC000329061808 511976082 /nfs/dbraw/zinc/97/60/82/511976082.db2.gz ZKYLFRDUGGIWJK-FRFSOERESA-N 1 2 360.458 2.529 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000281820210 511978473 /nfs/dbraw/zinc/97/84/73/511978473.db2.gz PEHWBFWNUUGXTA-HKUYNNGSSA-N 1 2 358.486 2.852 20 30 FFEDLO C[C@@H]1[C@H](C)SCCN1C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329248716 512013414 /nfs/dbraw/zinc/01/34/14/512013414.db2.gz WTLIMAHQCYWCPW-IPYPFGDCSA-N 1 2 352.504 2.628 20 30 FFEDLO CC(C)n1ncc2c1C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)CC2 ZINC000329297789 512022664 /nfs/dbraw/zinc/02/26/64/512022664.db2.gz UETYYTPDUAFFHY-APWZRJJASA-N 1 2 360.502 2.921 20 30 FFEDLO CC(C)n1ncc2c1C[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)CC2 ZINC000329297789 512022668 /nfs/dbraw/zinc/02/26/68/512022668.db2.gz UETYYTPDUAFFHY-APWZRJJASA-N 1 2 360.502 2.921 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCCOc2ccccc21 ZINC000329310866 512025048 /nfs/dbraw/zinc/02/50/48/512025048.db2.gz ZNZCGTBGVCWMPF-SOLBZPMBSA-N 1 2 359.470 2.609 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)NC2(C)CCCCC2)CCC(=O)N1C1CC1 ZINC000329336406 512029179 /nfs/dbraw/zinc/02/91/79/512029179.db2.gz LTWKUEGWUMFWQF-CRAIPNDOSA-N 1 2 373.501 2.841 20 30 FFEDLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000329419856 512042953 /nfs/dbraw/zinc/04/29/53/512042953.db2.gz DDJWFSVRRJHWIP-CYBMUJFWSA-N 1 2 359.451 2.909 20 30 FFEDLO C[C@@H]1CCSCCN1C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329436039 512045938 /nfs/dbraw/zinc/04/59/38/512045938.db2.gz JFGHVONWNRVMJU-HIFRSBDPSA-N 1 2 352.504 2.629 20 30 FFEDLO Cc1nc(N2CCN(CC(=O)N[C@@H]3CCCc4ccccc43)CC2)cc[nH+]1 ZINC000329514040 512062516 /nfs/dbraw/zinc/06/25/16/512062516.db2.gz LRFCAAFJWIMXCL-LJQANCHMSA-N 1 2 365.481 2.941 20 30 FFEDLO CC[C@](C)(C#N)C(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000375803497 512515819 /nfs/dbraw/zinc/51/58/19/512515819.db2.gz CRIRVMKZZMVULR-LJQANCHMSA-N 1 2 373.888 2.962 20 30 FFEDLO CC[C@](C)(C#N)C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000375803497 512515822 /nfs/dbraw/zinc/51/58/22/512515822.db2.gz CRIRVMKZZMVULR-LJQANCHMSA-N 1 2 373.888 2.962 20 30 FFEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C[C@H](C)O2 ZINC000374013378 512621168 /nfs/dbraw/zinc/62/11/68/512621168.db2.gz HQJPWLSUSFQZGF-QEEYODRMSA-N 1 2 368.437 2.767 20 30 FFEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C[C@H](C)O2 ZINC000374013378 512621174 /nfs/dbraw/zinc/62/11/74/512621174.db2.gz HQJPWLSUSFQZGF-QEEYODRMSA-N 1 2 368.437 2.767 20 30 FFEDLO N#Cc1ccc(N2CC[C@H](C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)C2)c(F)c1 ZINC000367720881 512632042 /nfs/dbraw/zinc/63/20/42/512632042.db2.gz MWTZHEXNXBOPBG-DLBZAZTESA-N 1 2 367.428 2.584 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC[C@@H]3c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000367840822 512684987 /nfs/dbraw/zinc/68/49/87/512684987.db2.gz ILUJKETYZKNNEK-RHSMWYFYSA-N 1 2 353.401 2.610 20 30 FFEDLO CC(=O)N1CC[N@H+](Cc2cnc3ccc(C#N)cn23)CC12CCCCC2 ZINC000374253510 512728574 /nfs/dbraw/zinc/72/85/74/512728574.db2.gz IHXIGPHNMXHDHK-UHFFFAOYSA-N 1 2 351.454 2.573 20 30 FFEDLO CC(=O)N1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC12CCCCC2 ZINC000374253510 512728575 /nfs/dbraw/zinc/72/85/75/512728575.db2.gz IHXIGPHNMXHDHK-UHFFFAOYSA-N 1 2 351.454 2.573 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378411662 512746266 /nfs/dbraw/zinc/74/62/66/512746266.db2.gz WRNFNDGUTBIYEZ-OAHLLOKOSA-N 1 2 354.410 2.813 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@H+](CCc3nc4ccccc4c(=O)[nH]3)CCO2)c1 ZINC000374353474 512785637 /nfs/dbraw/zinc/78/56/37/512785637.db2.gz DLGIAMYPKZPVNY-LJQANCHMSA-N 1 2 360.417 2.823 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@@H+](CCc3nc4ccccc4c(=O)[nH]3)CCO2)c1 ZINC000374353474 512785642 /nfs/dbraw/zinc/78/56/42/512785642.db2.gz DLGIAMYPKZPVNY-LJQANCHMSA-N 1 2 360.417 2.823 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)c(C#N)c1C ZINC000374523940 512872267 /nfs/dbraw/zinc/87/22/67/512872267.db2.gz XHPLAUCPKUQJMA-NRFANRHFSA-N 1 2 367.449 2.733 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)c(C#N)c1C ZINC000374523940 512872270 /nfs/dbraw/zinc/87/22/70/512872270.db2.gz XHPLAUCPKUQJMA-NRFANRHFSA-N 1 2 367.449 2.733 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000372472828 512893458 /nfs/dbraw/zinc/89/34/58/512893458.db2.gz LMNUEVJORYEHFS-LSDHHAIUSA-N 1 2 370.482 2.558 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000372472828 512893462 /nfs/dbraw/zinc/89/34/62/512893462.db2.gz LMNUEVJORYEHFS-LSDHHAIUSA-N 1 2 370.482 2.558 20 30 FFEDLO COc1cc(-c2noc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)n2)ncn1 ZINC000450297075 513128555 /nfs/dbraw/zinc/12/85/55/513128555.db2.gz HCOLKWDZJJXVJB-UHFFFAOYSA-N 1 2 362.393 2.571 20 30 FFEDLO COc1cc(-c2noc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)n2)ncn1 ZINC000450297075 513128567 /nfs/dbraw/zinc/12/85/67/513128567.db2.gz HCOLKWDZJJXVJB-UHFFFAOYSA-N 1 2 362.393 2.571 20 30 FFEDLO C=CCCn1cc(C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)nn1 ZINC000424545221 513178430 /nfs/dbraw/zinc/17/84/30/513178430.db2.gz OORHUKNBMCOSIX-UHFFFAOYSA-N 1 2 367.497 2.936 20 30 FFEDLO O=S1(=O)CCC2(CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)CC1 ZINC000428921659 513222678 /nfs/dbraw/zinc/22/26/78/513222678.db2.gz KPKFCFVPHQMIED-UHFFFAOYSA-N 1 2 351.899 2.982 20 30 FFEDLO N#Cc1ccc(CN(CCC[NH+]2CCOCC2)Cc2ccncc2)cc1F ZINC000421350279 513231816 /nfs/dbraw/zinc/23/18/16/513231816.db2.gz AENPNVCOJWTJRN-UHFFFAOYSA-N 1 2 368.456 2.817 20 30 FFEDLO C=CCCn1cc(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000424695550 513244133 /nfs/dbraw/zinc/24/41/33/513244133.db2.gz LYXGJUHJCYBGEW-UHFFFAOYSA-N 1 2 368.485 2.628 20 30 FFEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000429261648 513319765 /nfs/dbraw/zinc/31/97/65/513319765.db2.gz BPRDJGOOPPTORW-INIZCTEOSA-N 1 2 366.440 2.524 20 30 FFEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000429261648 513319775 /nfs/dbraw/zinc/31/97/75/513319775.db2.gz BPRDJGOOPPTORW-INIZCTEOSA-N 1 2 366.440 2.524 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000429363719 513352944 /nfs/dbraw/zinc/35/29/44/513352944.db2.gz KGDOJOFLUOUMHV-QGZVFWFLSA-N 1 2 365.477 2.515 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000429363719 513352952 /nfs/dbraw/zinc/35/29/52/513352952.db2.gz KGDOJOFLUOUMHV-QGZVFWFLSA-N 1 2 365.477 2.515 20 30 FFEDLO N#Cc1cccc(C2(C(=O)NCCNc3ccc4ccccc4[nH+]3)CC2)c1 ZINC000434844658 513444253 /nfs/dbraw/zinc/44/42/53/513444253.db2.gz VVYMZIBSDKNBIA-UHFFFAOYSA-N 1 2 356.429 2.788 20 30 FFEDLO N#CC1CCC(CNC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)CC1 ZINC000440992706 513456455 /nfs/dbraw/zinc/45/64/55/513456455.db2.gz RCLVWOJIFSHPBT-UHFFFAOYSA-N 1 2 358.461 2.983 20 30 FFEDLO CCOc1ccc(C[C@H](CNc2cc(C)[nH+]cc2C#N)C(=O)OC)cc1 ZINC000425222231 513459881 /nfs/dbraw/zinc/45/98/81/513459881.db2.gz IANAVIVFZIRENI-MRXNPFEDSA-N 1 2 353.422 2.526 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000434941270 513471534 /nfs/dbraw/zinc/47/15/34/513471534.db2.gz AJALIKABFAFWFW-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO N#CCc1ccc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c(Cl)c1 ZINC000451151322 513552591 /nfs/dbraw/zinc/55/25/91/513552591.db2.gz YUDVULYKDDXGSQ-UHFFFAOYSA-N 1 2 364.858 2.628 20 30 FFEDLO C=CCOc1ccc(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)nc[nH+]2)cc1 ZINC000413276640 513563970 /nfs/dbraw/zinc/56/39/70/513563970.db2.gz CSBJJIAIWIQNIA-WBVHZDCISA-N 1 2 354.454 2.861 20 30 FFEDLO C=CCOc1ccc(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)cc1 ZINC000413276640 513563980 /nfs/dbraw/zinc/56/39/80/513563980.db2.gz CSBJJIAIWIQNIA-WBVHZDCISA-N 1 2 354.454 2.861 20 30 FFEDLO Cc1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1C#N ZINC000441615507 513599423 /nfs/dbraw/zinc/59/94/23/513599423.db2.gz RXADBNDOLPOWSU-UHFFFAOYSA-N 1 2 369.490 2.682 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(NC[C@@H]2CCO[C@@H]2C(=C)C)nc[nH+]1 ZINC000435602398 513633463 /nfs/dbraw/zinc/63/34/63/513633463.db2.gz CKYFXEKDDCGDNO-OBMJPTGESA-N 1 2 358.486 2.685 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(NC[C@@H]2CCO[C@@H]2C(=C)C)[nH+]cn1 ZINC000435602398 513633471 /nfs/dbraw/zinc/63/34/71/513633471.db2.gz CKYFXEKDDCGDNO-OBMJPTGESA-N 1 2 358.486 2.685 20 30 FFEDLO C[C@H](C#N)CN(C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)C1CC1 ZINC000441960903 513652435 /nfs/dbraw/zinc/65/24/35/513652435.db2.gz ZHQIPEUORBENTH-GFCCVEGCSA-N 1 2 365.437 2.540 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)COc1ccc(C#N)cc1OC ZINC000430505571 513670301 /nfs/dbraw/zinc/67/03/01/513670301.db2.gz RETBCLINNMQQSC-UHFFFAOYSA-N 1 2 370.453 2.643 20 30 FFEDLO C[C@H](C#N)S(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000416383873 513744153 /nfs/dbraw/zinc/74/41/53/513744153.db2.gz CXXZBLPNEXFGRN-CZUORRHYSA-N 1 2 355.891 2.526 20 30 FFEDLO C[C@H](C#N)S(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000416383873 513744160 /nfs/dbraw/zinc/74/41/60/513744160.db2.gz CXXZBLPNEXFGRN-CZUORRHYSA-N 1 2 355.891 2.526 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000425796293 513752124 /nfs/dbraw/zinc/75/21/24/513752124.db2.gz ORIPCEONDJFEJP-KSSFIOAISA-N 1 2 367.405 2.520 20 30 FFEDLO CC(C)(CC#N)CS(=O)(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000451447979 513755889 /nfs/dbraw/zinc/75/58/89/513755889.db2.gz SKORUSIWCBAMCQ-UHFFFAOYSA-N 1 2 369.918 2.557 20 30 FFEDLO CC(C)(CC#N)CS(=O)(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000451447979 513755897 /nfs/dbraw/zinc/75/58/97/513755897.db2.gz SKORUSIWCBAMCQ-UHFFFAOYSA-N 1 2 369.918 2.557 20 30 FFEDLO COc1cc(C[NH+]2CCN(C(=O)Cc3ccc(C)cc3)CC2)ccc1C#N ZINC000442889805 513806093 /nfs/dbraw/zinc/80/60/93/513806093.db2.gz MADBPQSEDVDSAP-UHFFFAOYSA-N 1 2 363.461 2.762 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000413823937 513830809 /nfs/dbraw/zinc/83/08/09/513830809.db2.gz BMYZTTVMLRINEK-LJQANCHMSA-N 1 2 365.481 2.804 20 30 FFEDLO O=C(C[N@H+](CC#Cc1ccc(Cl)cc1)C[C@@H]1CCCO1)N1CCCC1 ZINC000426475679 513952500 /nfs/dbraw/zinc/95/25/00/513952500.db2.gz YZGGJWOEBCIULO-IBGZPJMESA-N 1 2 360.885 2.795 20 30 FFEDLO O=C(C[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@@H]1CCCO1)N1CCCC1 ZINC000426475679 513952506 /nfs/dbraw/zinc/95/25/06/513952506.db2.gz YZGGJWOEBCIULO-IBGZPJMESA-N 1 2 360.885 2.795 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000414095126 513973811 /nfs/dbraw/zinc/97/38/11/513973811.db2.gz JOMSDNHHEOFNEY-CYBMUJFWSA-N 1 2 352.847 2.688 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000414095126 513973817 /nfs/dbraw/zinc/97/38/17/513973817.db2.gz JOMSDNHHEOFNEY-CYBMUJFWSA-N 1 2 352.847 2.688 20 30 FFEDLO CCn1c(SC[C@@H](O)C[N@H+](C)CCC#N)nnc1-c1cccc(C)c1 ZINC000414097004 513973999 /nfs/dbraw/zinc/97/39/99/513973999.db2.gz MQFZWJDDMFKGOV-INIZCTEOSA-N 1 2 359.499 2.572 20 30 FFEDLO CCn1c(SC[C@@H](O)C[N@@H+](C)CCC#N)nnc1-c1cccc(C)c1 ZINC000414097004 513974005 /nfs/dbraw/zinc/97/40/05/513974005.db2.gz MQFZWJDDMFKGOV-INIZCTEOSA-N 1 2 359.499 2.572 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000414137974 513986610 /nfs/dbraw/zinc/98/66/10/513986610.db2.gz FDXCHSPWOUOIEF-KRWDZBQOSA-N 1 2 351.406 2.936 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000414137974 513986614 /nfs/dbraw/zinc/98/66/14/513986614.db2.gz FDXCHSPWOUOIEF-KRWDZBQOSA-N 1 2 351.406 2.936 20 30 FFEDLO Cc1ccc(NC(=O)c2cccc(OC[C@@H](O)C[N@H+](C)CCC#N)c2)cc1 ZINC000414148557 513990875 /nfs/dbraw/zinc/99/08/75/513990875.db2.gz NHBCPSAIBHDVAJ-IBGZPJMESA-N 1 2 367.449 2.833 20 30 FFEDLO Cc1ccc(NC(=O)c2cccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c2)cc1 ZINC000414148557 513990882 /nfs/dbraw/zinc/99/08/82/513990882.db2.gz NHBCPSAIBHDVAJ-IBGZPJMESA-N 1 2 367.449 2.833 20 30 FFEDLO COc1cccc2c(C[N@H+](CCC#N)CCN3CCOCC3)cccc12 ZINC000448999523 514017518 /nfs/dbraw/zinc/01/75/18/514017518.db2.gz YNYQTJWICRWLKE-UHFFFAOYSA-N 1 2 353.466 2.896 20 30 FFEDLO COc1cccc2c(C[N@@H+](CCC#N)CCN3CCOCC3)cccc12 ZINC000448999523 514017525 /nfs/dbraw/zinc/01/75/25/514017525.db2.gz YNYQTJWICRWLKE-UHFFFAOYSA-N 1 2 353.466 2.896 20 30 FFEDLO COc1cccc2c(CN(CCC#N)CC[NH+]3CCOCC3)cccc12 ZINC000448999523 514017533 /nfs/dbraw/zinc/01/75/33/514017533.db2.gz YNYQTJWICRWLKE-UHFFFAOYSA-N 1 2 353.466 2.896 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451875885 514036972 /nfs/dbraw/zinc/03/69/72/514036972.db2.gz WNPKINLHEWEZCP-UONOGXRCSA-N 1 2 368.403 2.701 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451875885 514036980 /nfs/dbraw/zinc/03/69/80/514036980.db2.gz WNPKINLHEWEZCP-UONOGXRCSA-N 1 2 368.403 2.701 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(C(=O)CNc3cccc(C#N)c3)CC2)s1 ZINC000426858757 514060297 /nfs/dbraw/zinc/06/02/97/514060297.db2.gz XLJTYDMXKYGAKB-UHFFFAOYSA-N 1 2 368.506 2.938 20 30 FFEDLO C=CCOc1ccc(Br)cc1N[C@@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423170014 514067426 /nfs/dbraw/zinc/06/74/26/514067426.db2.gz LAKLTWBXWMIBSU-DOMZBBRYSA-N 1 2 369.259 2.719 20 30 FFEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000451934204 514081861 /nfs/dbraw/zinc/08/18/61/514081861.db2.gz VXCIEYKSPCCFCG-JTQLQIEISA-N 1 2 372.372 2.833 20 30 FFEDLO Cc1cc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)n(-c2cc[nH+]cc2)n1 ZINC000437317429 514140173 /nfs/dbraw/zinc/14/01/73/514140173.db2.gz SYVBWECNHLYKFE-UHFFFAOYSA-N 1 2 373.825 2.902 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](C)[NH2+]Cc2ccc(F)cc21 ZINC000420464853 514158172 /nfs/dbraw/zinc/15/81/72/514158172.db2.gz UPMMITQVQXIPTK-ZDUSSCGKSA-N 1 2 359.426 2.693 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3OC(F)F)CC2)nc1 ZINC000437438286 514160547 /nfs/dbraw/zinc/16/05/47/514160547.db2.gz ZBPCXGLHFQWBNS-UHFFFAOYSA-N 1 2 369.375 2.749 20 30 FFEDLO C[C@@H](O)[C@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000414563484 514182551 /nfs/dbraw/zinc/18/25/51/514182551.db2.gz BVYZBQGTJQFDJN-IIBYNOLFSA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@@H](O)[C@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000414563484 514182558 /nfs/dbraw/zinc/18/25/58/514182558.db2.gz BVYZBQGTJQFDJN-IIBYNOLFSA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@H](O)[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000414583985 514193635 /nfs/dbraw/zinc/19/36/35/514193635.db2.gz MMAASAQMWSHGOF-KKSFZXQISA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@H](O)[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000414583985 514193638 /nfs/dbraw/zinc/19/36/38/514193638.db2.gz MMAASAQMWSHGOF-KKSFZXQISA-N 1 2 352.434 2.719 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000437645562 514201477 /nfs/dbraw/zinc/20/14/77/514201477.db2.gz KDHJDFDWSUBZBN-RBUKOAKNSA-N 1 2 354.454 2.712 20 30 FFEDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000449525463 514239400 /nfs/dbraw/zinc/23/94/00/514239400.db2.gz BIHOTQDTMBIYTH-QGZVFWFLSA-N 1 2 350.484 2.768 20 30 FFEDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000449525463 514239407 /nfs/dbraw/zinc/23/94/07/514239407.db2.gz BIHOTQDTMBIYTH-QGZVFWFLSA-N 1 2 350.484 2.768 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]([C@H](O)C(F)(F)F)C3)o2)c1 ZINC000444718666 514303421 /nfs/dbraw/zinc/30/34/21/514303421.db2.gz OYWQHCCMYDFZIA-HIFRSBDPSA-N 1 2 366.343 2.743 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]([C@H](O)C(F)(F)F)C3)o2)c1 ZINC000444718666 514303427 /nfs/dbraw/zinc/30/34/27/514303427.db2.gz OYWQHCCMYDFZIA-HIFRSBDPSA-N 1 2 366.343 2.743 20 30 FFEDLO Cc1ncc(S(=O)(=O)Nc2cccc3c2C[N@H+](C(C)C)C3)cc1C#N ZINC000427784157 514313322 /nfs/dbraw/zinc/31/33/22/514313322.db2.gz XQZHIDGAOLGVAU-UHFFFAOYSA-N 1 2 356.451 2.787 20 30 FFEDLO Cc1ncc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C(C)C)C3)cc1C#N ZINC000427784157 514313329 /nfs/dbraw/zinc/31/33/29/514313329.db2.gz XQZHIDGAOLGVAU-UHFFFAOYSA-N 1 2 356.451 2.787 20 30 FFEDLO C=CCOc1ccc(CC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000449840190 514382092 /nfs/dbraw/zinc/38/20/92/514382092.db2.gz PEDKVZYTRDMIAI-UHFFFAOYSA-N 1 2 366.461 2.844 20 30 FFEDLO N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000424165138 514405656 /nfs/dbraw/zinc/40/56/56/514405656.db2.gz DNDSHKVDULOLDW-JKSUJKDBSA-N 1 2 358.490 2.580 20 30 FFEDLO C=CCn1cc(C[NH2+][C@@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)nn1 ZINC000424300464 514450576 /nfs/dbraw/zinc/45/05/76/514450576.db2.gz XRUIMWJDXVXSSH-RTBURBONSA-N 1 2 374.510 2.647 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000455443706 514525470 /nfs/dbraw/zinc/52/54/70/514525470.db2.gz DVPUURRVZCXINH-MRXNPFEDSA-N 1 2 366.469 2.758 20 30 FFEDLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3ccc(C#N)nc3)cc2)c1C ZINC000461190543 514535178 /nfs/dbraw/zinc/53/51/78/514535178.db2.gz WCMWBAISRZZVSJ-UHFFFAOYSA-N 1 2 353.407 2.557 20 30 FFEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439447431 514552601 /nfs/dbraw/zinc/55/26/01/514552601.db2.gz YGUYXEAZJWXFRE-INIZCTEOSA-N 1 2 374.916 2.730 20 30 FFEDLO COc1ccc2nc(C[NH+]3CCN(c4cccc(C#N)n4)CC3)sc2c1 ZINC000475094482 514556364 /nfs/dbraw/zinc/55/63/64/514556364.db2.gz QOIHWGAKMSBXGK-UHFFFAOYSA-N 1 2 365.462 2.894 20 30 FFEDLO N#Cc1ccc(F)c(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000466207712 514576405 /nfs/dbraw/zinc/57/64/05/514576405.db2.gz ZWHAADBRSWFUDI-UHFFFAOYSA-N 1 2 358.442 2.786 20 30 FFEDLO CC(C)(C)CN1CCC[C@@H]([NH+]2CCN(c3ccc(C#N)cc3F)CC2)C1=O ZINC000461399108 514595588 /nfs/dbraw/zinc/59/55/88/514595588.db2.gz DSGWPWNADCOANM-LJQANCHMSA-N 1 2 372.488 2.856 20 30 FFEDLO N#Cc1ccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)s1 ZINC000475432480 514659396 /nfs/dbraw/zinc/65/93/96/514659396.db2.gz RMEXPCREEGSNSK-ZDUSSCGKSA-N 1 2 350.241 2.698 20 30 FFEDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000470955677 514690615 /nfs/dbraw/zinc/69/06/15/514690615.db2.gz NRJDGGMUZRMJQB-UHFFFAOYSA-N 1 2 362.477 2.607 20 30 FFEDLO N#CCc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000455708445 514694909 /nfs/dbraw/zinc/69/49/09/514694909.db2.gz UHHHJRFNIFMSGT-HNNXBMFYSA-N 1 2 362.861 2.735 20 30 FFEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000470995511 514709441 /nfs/dbraw/zinc/70/94/41/514709441.db2.gz PHVMCZLEBROEES-HNAYVOBHSA-N 1 2 374.916 2.970 20 30 FFEDLO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471027052 514726197 /nfs/dbraw/zinc/72/61/97/514726197.db2.gz CKGQPLAYWIOXSP-WMLDXEAASA-N 1 2 362.905 2.825 20 30 FFEDLO C[C@H](C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000461787053 514737448 /nfs/dbraw/zinc/73/74/48/514737448.db2.gz RUDPDGJZKXMFHO-UWJYYQICSA-N 1 2 363.461 2.851 20 30 FFEDLO C[C@H](COc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000471161484 514778804 /nfs/dbraw/zinc/77/88/04/514778804.db2.gz KTOWXHRQXWLQSK-GOSISDBHSA-N 1 2 363.461 2.918 20 30 FFEDLO N#Cc1cccc(CCNC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000466806221 514785725 /nfs/dbraw/zinc/78/57/25/514785725.db2.gz KQFHKJQOTOFTGP-UHFFFAOYSA-N 1 2 366.440 2.767 20 30 FFEDLO Cc1ncc(C[NH+]2CCN(C(=O)[C@@H](C)c3cccc(C#N)c3)CC2)s1 ZINC000462067164 514858902 /nfs/dbraw/zinc/85/89/02/514858902.db2.gz LZWBLONFCYNNEF-AWEZNQCLSA-N 1 2 354.479 2.771 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)OC[C@H]2CC)cc1 ZINC000508709456 514871462 /nfs/dbraw/zinc/87/14/62/514871462.db2.gz LWCRWCDYEOASKX-DLBZAZTESA-N 1 2 359.470 2.831 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)OC[C@H]2CC)cc1 ZINC000508709456 514871475 /nfs/dbraw/zinc/87/14/75/514871475.db2.gz LWCRWCDYEOASKX-DLBZAZTESA-N 1 2 359.470 2.831 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)NCc2[nH+]ccn2CC(C)C)CCCC1(C)C ZINC000508811915 514900494 /nfs/dbraw/zinc/90/04/94/514900494.db2.gz PFPVUTXGEMVIQU-INIZCTEOSA-N 1 2 360.502 2.749 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458577867 514919070 /nfs/dbraw/zinc/91/90/70/514919070.db2.gz BXJLPJZMHUZKNI-XYPHTWIQSA-N 1 2 369.868 2.851 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458577867 514919081 /nfs/dbraw/zinc/91/90/81/514919081.db2.gz BXJLPJZMHUZKNI-XYPHTWIQSA-N 1 2 369.868 2.851 20 30 FFEDLO C=C(C)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000458619797 514960822 /nfs/dbraw/zinc/96/08/22/514960822.db2.gz SOQMFXAJQQQTED-SJORKVTESA-N 1 2 351.878 2.977 20 30 FFEDLO C=C(C)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000458619797 514960831 /nfs/dbraw/zinc/96/08/31/514960831.db2.gz SOQMFXAJQQQTED-SJORKVTESA-N 1 2 351.878 2.977 20 30 FFEDLO N#C[C@H]1C[N@@H+](Cc2cccc(O)c2Cl)C[C@]12C(=O)Nc1ccccc12 ZINC000509093708 515020592 /nfs/dbraw/zinc/02/05/92/515020592.db2.gz JGAWXXPVVBCPDY-DJJJIMSYSA-N 1 2 353.809 2.891 20 30 FFEDLO N#C[C@H]1C[N@H+](Cc2cccc(O)c2Cl)C[C@]12C(=O)Nc1ccccc12 ZINC000509093708 515020597 /nfs/dbraw/zinc/02/05/97/515020597.db2.gz JGAWXXPVVBCPDY-DJJJIMSYSA-N 1 2 353.809 2.891 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000509171592 515056932 /nfs/dbraw/zinc/05/69/32/515056932.db2.gz UZVKRJKSKLZPOY-ZDUSSCGKSA-N 1 2 357.479 2.874 20 30 FFEDLO N#CCSCC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000498780889 515066049 /nfs/dbraw/zinc/06/60/49/515066049.db2.gz QKIZKURWANDTDD-UHFFFAOYSA-N 1 2 372.321 2.937 20 30 FFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000456353951 515121918 /nfs/dbraw/zinc/12/19/18/515121918.db2.gz NATZZCSYSAPEEO-ZFWWWQNUSA-N 1 2 355.417 2.617 20 30 FFEDLO CC[C@H]1C[N@H+](CCNC(=O)N[C@@H](CCCC#N)c2ccccc2)CCO1 ZINC000458828056 515123431 /nfs/dbraw/zinc/12/34/31/515123431.db2.gz DRVRODWDXQTEGL-OALUTQOASA-N 1 2 358.486 2.832 20 30 FFEDLO CC[C@H]1C[N@@H+](CCNC(=O)N[C@@H](CCCC#N)c2ccccc2)CCO1 ZINC000458828056 515123443 /nfs/dbraw/zinc/12/34/43/515123443.db2.gz DRVRODWDXQTEGL-OALUTQOASA-N 1 2 358.486 2.832 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458852071 515144304 /nfs/dbraw/zinc/14/43/04/515144304.db2.gz VFZAQLCAWJHSHN-PKOBYXMFSA-N 1 2 358.486 2.784 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000454064388 515181629 /nfs/dbraw/zinc/18/16/29/515181629.db2.gz YIAWCUGWFDZDBT-MRXNPFEDSA-N 1 2 369.421 2.564 20 30 FFEDLO Cc1cc2occ(CC(=O)N(CCC#N)CC[NH+]3CCOCC3)c2cc1C ZINC000499333045 515287590 /nfs/dbraw/zinc/28/75/90/515287590.db2.gz KYGFZXYPTHPTGH-UHFFFAOYSA-N 1 2 369.465 2.667 20 30 FFEDLO Cc1onc(CC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c1C#N ZINC000499586466 515378151 /nfs/dbraw/zinc/37/81/51/515378151.db2.gz KNUIWLZBZWJSLU-KRWDZBQOSA-N 1 2 369.812 2.690 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)C1=O ZINC000499936506 515521820 /nfs/dbraw/zinc/52/18/20/515521820.db2.gz AAHAEXOQQVGMDD-XLIONFOSSA-N 1 2 369.509 2.532 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)C1=O ZINC000499936506 515521828 /nfs/dbraw/zinc/52/18/28/515521828.db2.gz AAHAEXOQQVGMDD-XLIONFOSSA-N 1 2 369.509 2.532 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000505594642 515601268 /nfs/dbraw/zinc/60/12/68/515601268.db2.gz WITLHNQWMRYBEL-UHFFFAOYSA-N 1 2 354.454 2.913 20 30 FFEDLO Cc1cc(C(=O)NCc2cn3ccc(C)cc3[nH+]2)nn1-c1cccc(C#N)c1 ZINC000505799956 515677492 /nfs/dbraw/zinc/67/74/92/515677492.db2.gz YDSRAGADMKOZBK-UHFFFAOYSA-N 1 2 370.416 2.939 20 30 FFEDLO C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[NH+]1CCC(F)(C#N)CC1 ZINC000510936397 515720831 /nfs/dbraw/zinc/72/08/31/515720831.db2.gz PALLFDBQHBIPNK-SNVBAGLBSA-N 1 2 355.316 2.663 20 30 FFEDLO CN(CCOc1ccc(Cl)cc1)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000510954908 515726194 /nfs/dbraw/zinc/72/61/94/515726194.db2.gz VTCUBIFOVMUDNI-UHFFFAOYSA-N 1 2 353.825 2.505 20 30 FFEDLO CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000510951363 515726811 /nfs/dbraw/zinc/72/68/11/515726811.db2.gz MXFLHPALIJUNGJ-UHFFFAOYSA-N 1 2 368.250 2.735 20 30 FFEDLO Cc1cccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1Br ZINC000469330494 515773452 /nfs/dbraw/zinc/77/34/52/515773452.db2.gz XCTLREOWUYCUGH-INIZCTEOSA-N 1 2 358.239 2.945 20 30 FFEDLO Cc1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)nn1-c1cccc(C#N)c1 ZINC000506203785 515813834 /nfs/dbraw/zinc/81/38/34/515813834.db2.gz DZIWJQBELAGWGB-UHFFFAOYSA-N 1 2 360.421 2.795 20 30 FFEDLO CCOc1c(Cl)cccc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000494354437 515817817 /nfs/dbraw/zinc/81/78/17/515817817.db2.gz ZNKKLXXQUXPMNZ-UHFFFAOYSA-N 1 2 351.878 2.787 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000457547384 515962200 /nfs/dbraw/zinc/96/22/00/515962200.db2.gz VRQVKZJVPZHKLD-ROUUACIJSA-N 1 2 363.527 2.857 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000457547384 515962211 /nfs/dbraw/zinc/96/22/11/515962211.db2.gz VRQVKZJVPZHKLD-ROUUACIJSA-N 1 2 363.527 2.857 20 30 FFEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3ccc(C#N)s3)c2)CC1 ZINC000474277201 515967039 /nfs/dbraw/zinc/96/70/39/515967039.db2.gz TZIQVMYXIGANRB-UHFFFAOYSA-N 1 2 368.462 2.536 20 30 FFEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc([S@@](C)=O)cc1 ZINC000494954941 516017331 /nfs/dbraw/zinc/01/73/31/516017331.db2.gz BJSDKEXOFSQLDY-AREMUKBSSA-N 1 2 366.446 2.978 20 30 FFEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc([S@@](C)=O)cc1 ZINC000494954941 516017342 /nfs/dbraw/zinc/01/73/42/516017342.db2.gz BJSDKEXOFSQLDY-AREMUKBSSA-N 1 2 366.446 2.978 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC(C)=C(C)C1 ZINC000483383619 516056972 /nfs/dbraw/zinc/05/69/72/516056972.db2.gz YPFSRWMDKKJGEN-UHFFFAOYSA-N 1 2 358.486 2.994 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC(C)=C(C)C1 ZINC000483383619 516056984 /nfs/dbraw/zinc/05/69/84/516056984.db2.gz YPFSRWMDKKJGEN-UHFFFAOYSA-N 1 2 358.486 2.994 20 30 FFEDLO N#Cc1ccnc(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000511857254 516057409 /nfs/dbraw/zinc/05/74/09/516057409.db2.gz FFYAMVJVCVQHMY-UHFFFAOYSA-N 1 2 364.340 2.749 20 30 FFEDLO CNC(=O)C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000483394883 516064684 /nfs/dbraw/zinc/06/46/84/516064684.db2.gz JUGNBJHZHUZUAF-QGZVFWFLSA-N 1 2 361.405 2.575 20 30 FFEDLO CC[C@H](C(=O)OC)N1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000511897615 516070917 /nfs/dbraw/zinc/07/09/17/516070917.db2.gz UKLRJAIEWCLHJL-QGZVFWFLSA-N 1 2 368.399 2.626 20 30 FFEDLO CC(C)(C)[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nc(-c2nc[nH]n2)no1 ZINC000483712594 516183865 /nfs/dbraw/zinc/18/38/65/516183865.db2.gz MJPMOQKOZXTGIO-ZDUSSCGKSA-N 1 2 355.377 2.742 20 30 FFEDLO N#Cc1ccc(F)c(CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000465572922 516199624 /nfs/dbraw/zinc/19/96/24/516199624.db2.gz QIIXLICLQMZNFT-UHFFFAOYSA-N 1 2 357.776 2.998 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)N(C)Cc1ccc(OC)cc1)Cc1ccc(CO)o1 ZINC000512221537 516201606 /nfs/dbraw/zinc/20/16/06/516201606.db2.gz YPVYYRMJJNDCOS-UHFFFAOYSA-N 1 2 372.465 2.817 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)N(C)Cc1ccc(OC)cc1)Cc1ccc(CO)o1 ZINC000512221537 516201613 /nfs/dbraw/zinc/20/16/13/516201613.db2.gz YPVYYRMJJNDCOS-UHFFFAOYSA-N 1 2 372.465 2.817 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000512225358 516202439 /nfs/dbraw/zinc/20/24/39/516202439.db2.gz FAPRJEMHUUSDJT-UHFFFAOYSA-N 1 2 353.422 2.667 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000512225358 516202444 /nfs/dbraw/zinc/20/24/44/516202444.db2.gz FAPRJEMHUUSDJT-UHFFFAOYSA-N 1 2 353.422 2.667 20 30 FFEDLO CC(C)(CC#N)CNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000457929489 516235962 /nfs/dbraw/zinc/23/59/62/516235962.db2.gz AJPBGYJTFJJAMW-UHFFFAOYSA-N 1 2 364.247 2.836 20 30 FFEDLO CC[C@@](C)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(=O)OC ZINC000512400033 516264146 /nfs/dbraw/zinc/26/41/46/516264146.db2.gz NZGVVGFDSUJRAU-GOSISDBHSA-N 1 2 363.483 2.758 20 30 FFEDLO Cc1cc(Br)cn2cc(CNC(=O)NCC(C)(C)C#N)[nH+]c12 ZINC000501939512 516269494 /nfs/dbraw/zinc/26/94/94/516269494.db2.gz PTGRBRMDOFQHEW-UHFFFAOYSA-N 1 2 364.247 2.754 20 30 FFEDLO C[N@H+](CCN1CCN(c2ccccc2)CC1)Cc1cccc(C#N)c1F ZINC000512438778 516279388 /nfs/dbraw/zinc/27/93/88/516279388.db2.gz JUFRHJDXGRWLNB-UHFFFAOYSA-N 1 2 352.457 2.951 20 30 FFEDLO C[N@@H+](CCN1CCN(c2ccccc2)CC1)Cc1cccc(C#N)c1F ZINC000512438778 516279393 /nfs/dbraw/zinc/27/93/93/516279393.db2.gz JUFRHJDXGRWLNB-UHFFFAOYSA-N 1 2 352.457 2.951 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ncccc2F)CC1 ZINC000535629227 516427969 /nfs/dbraw/zinc/42/79/69/516427969.db2.gz UIQCBEVLCUDUNK-SFHVURJKSA-N 1 2 371.456 2.511 20 30 FFEDLO CS(=O)(=O)c1cc(C[NH2+]C[C@@H](C#N)CCC#N)cc(C(F)(F)F)c1 ZINC000550999822 516516356 /nfs/dbraw/zinc/51/63/56/516516356.db2.gz OGPBSDBDLQSCNV-LLVKDONJSA-N 1 2 359.373 2.642 20 30 FFEDLO N#C[C@]1(NC(=O)Cn2c3ccccc3[nH+]c2C2CCCCC2)CCOC1 ZINC000547812790 516577794 /nfs/dbraw/zinc/57/77/94/516577794.db2.gz IOBIGPHLQPWSJH-HXUWFJFHSA-N 1 2 352.438 2.883 20 30 FFEDLO N#Cc1ccc(C2([NH2+]Cc3nc(-c4ccccn4)no3)CCOCC2)cc1 ZINC000528780451 516691037 /nfs/dbraw/zinc/69/10/37/516691037.db2.gz CMMDNAFMQJPWIZ-UHFFFAOYSA-N 1 2 361.405 2.799 20 30 FFEDLO CC1(C)CN(CC(F)(F)F)CCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000551559443 516759418 /nfs/dbraw/zinc/75/94/18/516759418.db2.gz NSVNBKJEOPFRJX-UHFFFAOYSA-N 1 2 351.376 2.664 20 30 FFEDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1F ZINC000561781996 516770490 /nfs/dbraw/zinc/77/04/90/516770490.db2.gz JZYNTYTYUQWTKV-UHFFFAOYSA-N 1 2 361.442 2.777 20 30 FFEDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1F ZINC000561781996 516770495 /nfs/dbraw/zinc/77/04/95/516770495.db2.gz JZYNTYTYUQWTKV-UHFFFAOYSA-N 1 2 361.442 2.777 20 30 FFEDLO Cc1noc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 ZINC000544475540 516776229 /nfs/dbraw/zinc/77/62/29/516776229.db2.gz STRATBYXOABRED-SNVBAGLBSA-N 1 2 359.455 2.869 20 30 FFEDLO Cc1nc(NCc2cccc(C(=O)NCc3ccc(C#N)cc3)c2)cc[nH+]1 ZINC000544498938 516785340 /nfs/dbraw/zinc/78/53/40/516785340.db2.gz DTVYDVQSFMAARU-UHFFFAOYSA-N 1 2 357.417 2.621 20 30 FFEDLO COc1ccccc1OCC[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000562052026 516897696 /nfs/dbraw/zinc/89/76/96/516897696.db2.gz COSDQJMJDMFBAR-UHFFFAOYSA-N 1 2 358.467 2.533 20 30 FFEDLO N#C[C@@H]1N(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CCC[C@]12CCCCO2 ZINC000551923585 516960484 /nfs/dbraw/zinc/96/04/84/516960484.db2.gz GDHKVHMUZACXTL-PZJWPPBQSA-N 1 2 364.449 2.999 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000548425763 516976877 /nfs/dbraw/zinc/97/68/77/516976877.db2.gz APTMVSRQGYVFNL-CLCXKQKWSA-N 1 2 359.445 2.960 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000548425763 516976884 /nfs/dbraw/zinc/97/68/84/516976884.db2.gz APTMVSRQGYVFNL-CLCXKQKWSA-N 1 2 359.445 2.960 20 30 FFEDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1c(F)cccc1F ZINC000537022520 517007201 /nfs/dbraw/zinc/00/72/01/517007201.db2.gz ONQOYHWELLOKPF-LBPRGKRZSA-N 1 2 350.390 2.961 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000562379579 517067811 /nfs/dbraw/zinc/06/78/11/517067811.db2.gz WVILHBMQNGZRHZ-UHFFFAOYSA-N 1 2 370.840 2.700 20 30 FFEDLO CCc1ccc(O[C@H](C)C(=O)N2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000559094448 517079214 /nfs/dbraw/zinc/07/92/14/517079214.db2.gz IWZREWAAKBJEFG-NZSAHSFTSA-N 1 2 355.482 2.853 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000514858857 517095185 /nfs/dbraw/zinc/09/51/85/517095185.db2.gz QEUBZKLMUUKYIN-SFHVURJKSA-N 1 2 366.446 2.501 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000537265450 517116207 /nfs/dbraw/zinc/11/62/07/517116207.db2.gz LVSNDORPWBNTTR-IAGOWNOFSA-N 1 2 373.497 2.879 20 30 FFEDLO Cc1sc2nc(CN3CC[NH+](CC4(C#N)CCC4)CC3)[nH]c(=O)c2c1C ZINC000562529289 517168680 /nfs/dbraw/zinc/16/86/80/517168680.db2.gz YPVHVOXGMIVBQQ-UHFFFAOYSA-N 1 2 371.510 2.825 20 30 FFEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000552267959 517169838 /nfs/dbraw/zinc/16/98/38/517169838.db2.gz QHNZNHSBFXZYRZ-UHFFFAOYSA-N 1 2 354.841 2.873 20 30 FFEDLO C=CCN1CC[C@@H](Sc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)C1=O ZINC000537468145 517196142 /nfs/dbraw/zinc/19/61/42/517196142.db2.gz VHMWMHVJNVLPNB-OAHLLOKOSA-N 1 2 369.425 2.834 20 30 FFEDLO C=CCn1c(-c2ccccc2F)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000548914485 517299104 /nfs/dbraw/zinc/29/91/04/517299104.db2.gz VAECOTNACZNHAY-UHFFFAOYSA-N 1 2 364.428 2.992 20 30 FFEDLO Cn1c2ccccc2nc1CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000533237761 517358915 /nfs/dbraw/zinc/35/89/15/517358915.db2.gz ICLRYZMGSLVMRS-UHFFFAOYSA-N 1 2 359.477 2.805 20 30 FFEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCC1 ZINC000526287349 517369190 /nfs/dbraw/zinc/36/91/90/517369190.db2.gz YAIWEGMYIPWNOE-LLVKDONJSA-N 1 2 372.416 2.904 20 30 FFEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCC1 ZINC000526287349 517369199 /nfs/dbraw/zinc/36/91/99/517369199.db2.gz YAIWEGMYIPWNOE-LLVKDONJSA-N 1 2 372.416 2.904 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)c(OC)c2)CC1 ZINC000549114470 517406481 /nfs/dbraw/zinc/40/64/81/517406481.db2.gz XSWSUWUOPFRUHP-MRXNPFEDSA-N 1 2 363.477 2.769 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CCCC[C@@H]1C(=O)OCC)Cc1ccccc1F ZINC000515770785 517468909 /nfs/dbraw/zinc/46/89/09/517468909.db2.gz XRSZUIVKVFNLRW-GOSISDBHSA-N 1 2 362.445 2.758 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CCCC[C@@H]1C(=O)OCC)Cc1ccccc1F ZINC000515770785 517468917 /nfs/dbraw/zinc/46/89/17/517468917.db2.gz XRSZUIVKVFNLRW-GOSISDBHSA-N 1 2 362.445 2.758 20 30 FFEDLO N#CCc1ccc(C[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 ZINC000542276908 517479614 /nfs/dbraw/zinc/47/96/14/517479614.db2.gz CTQRMLOTAYMRJY-UHFFFAOYSA-N 1 2 355.388 2.989 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3OCCc4ccccc43)CC2)cc1 ZINC000533544048 517518022 /nfs/dbraw/zinc/51/80/22/517518022.db2.gz JTSJVSAPXCASPJ-OAQYLSRUSA-N 1 2 361.445 2.516 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1=O ZINC000549672673 517654495 /nfs/dbraw/zinc/65/44/95/517654495.db2.gz QKSDKTMWWDYESL-AWEZNQCLSA-N 1 2 357.332 2.832 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1=O ZINC000549672673 517654502 /nfs/dbraw/zinc/65/45/02/517654502.db2.gz QKSDKTMWWDYESL-AWEZNQCLSA-N 1 2 357.332 2.832 20 30 FFEDLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000563153911 517696663 /nfs/dbraw/zinc/69/66/63/517696663.db2.gz GMGHRPHSKWYOCT-FUHWJXTLSA-N 1 2 367.453 2.545 20 30 FFEDLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000563153911 517696670 /nfs/dbraw/zinc/69/66/70/517696670.db2.gz GMGHRPHSKWYOCT-FUHWJXTLSA-N 1 2 367.453 2.545 20 30 FFEDLO C[C@@](O)(C1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000546637528 517769967 /nfs/dbraw/zinc/76/99/67/517769967.db2.gz OJQAMQCKNWWPCT-MRXNPFEDSA-N 1 2 355.360 2.522 20 30 FFEDLO C=CC[C@@H](CC)NC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000546666293 517787168 /nfs/dbraw/zinc/78/71/68/517787168.db2.gz IBVHWJGAALLTRU-QGZVFWFLSA-N 1 2 359.470 2.640 20 30 FFEDLO Cc1cc(Br)cn2cc(CCNC(=O)c3c[nH]c(C#N)c3)[nH+]c12 ZINC000546895630 517910188 /nfs/dbraw/zinc/91/01/88/517910188.db2.gz AFUUXXFMGZVAJP-UHFFFAOYSA-N 1 2 372.226 2.578 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000516922679 517917915 /nfs/dbraw/zinc/91/79/15/517917915.db2.gz MDLGZTUCSLKHHS-AWEZNQCLSA-N 1 2 367.371 2.753 20 30 FFEDLO N#Cc1csc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)n1 ZINC000527797732 517919587 /nfs/dbraw/zinc/91/95/87/517919587.db2.gz PFYWYUMIGHUUIK-GFCCVEGCSA-N 1 2 350.806 2.702 20 30 FFEDLO Cc1cc(N2CCN(C(=O)Cc3cccc(C#N)c3)CC2)nc(C(C)C)[nH+]1 ZINC000530911150 518045915 /nfs/dbraw/zinc/04/59/15/518045915.db2.gz MMYCAXPYLOHQMK-UHFFFAOYSA-N 1 2 363.465 2.671 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000522678940 518145369 /nfs/dbraw/zinc/14/53/69/518145369.db2.gz BSNQHZLPXKASNE-MRXNPFEDSA-N 1 2 351.797 2.860 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2ccccc2SC(C)C)c1C#N ZINC000543616132 518153231 /nfs/dbraw/zinc/15/32/31/518153231.db2.gz FHJZHKCMGNBJSX-UHFFFAOYSA-N 1 2 357.483 2.608 20 30 FFEDLO Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c(C)c[nH+]1 ZINC000578714849 518337767 /nfs/dbraw/zinc/33/77/67/518337767.db2.gz NSTSOWYQGNAWRE-CQSZACIVSA-N 1 2 368.824 2.637 20 30 FFEDLO C=CCn1cc(CNC(=O)Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)nn1 ZINC000569923074 518356858 /nfs/dbraw/zinc/35/68/58/518356858.db2.gz VSFIURZWORAJRA-HNNXBMFYSA-N 1 2 369.473 2.868 20 30 FFEDLO CC1(C)c2ccccc2CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000576023270 518391868 /nfs/dbraw/zinc/39/18/68/518391868.db2.gz JKVQEYOZAGVGBV-UHFFFAOYSA-N 1 2 355.463 2.520 20 30 FFEDLO CC1(C)c2ccccc2CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000576023270 518391871 /nfs/dbraw/zinc/39/18/71/518391871.db2.gz JKVQEYOZAGVGBV-UHFFFAOYSA-N 1 2 355.463 2.520 20 30 FFEDLO Cc1onc(C2CC2)c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000576191247 518472432 /nfs/dbraw/zinc/47/24/32/518472432.db2.gz UUHBRJCTXGZBEC-UHFFFAOYSA-N 1 2 350.422 2.690 20 30 FFEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cn2)C(C)(C)CN1Cc1ccc(C#N)cn1 ZINC000584787756 518478208 /nfs/dbraw/zinc/47/82/08/518478208.db2.gz HOIBEYHAKKDPJU-INIZCTEOSA-N 1 2 360.465 2.705 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)C(C)(C)CN1Cc1ccc(C#N)cn1 ZINC000584787756 518478215 /nfs/dbraw/zinc/47/82/15/518478215.db2.gz HOIBEYHAKKDPJU-INIZCTEOSA-N 1 2 360.465 2.705 20 30 FFEDLO Cc1cc(NC(=O)C[NH2+]Cc2nc(C#N)cs2)ccc1Br ZINC000582091946 518583210 /nfs/dbraw/zinc/58/32/10/518583210.db2.gz SKYLPPANHHQSSU-UHFFFAOYSA-N 1 2 365.256 2.814 20 30 FFEDLO C[N@@H+](Cc1nc(C#N)cs1)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000573313087 518605205 /nfs/dbraw/zinc/60/52/05/518605205.db2.gz ASPMRQOIJCBMCZ-GFCCVEGCSA-N 1 2 371.384 2.905 20 30 FFEDLO C[N@H+](Cc1nc(C#N)cs1)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000573313087 518605209 /nfs/dbraw/zinc/60/52/09/518605209.db2.gz ASPMRQOIJCBMCZ-GFCCVEGCSA-N 1 2 371.384 2.905 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000564870990 518666768 /nfs/dbraw/zinc/66/67/68/518666768.db2.gz DGJQTBQJFXIHBR-KRWDZBQOSA-N 1 2 362.886 2.966 20 30 FFEDLO C[C@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000579450651 518686662 /nfs/dbraw/zinc/68/66/62/518686662.db2.gz BRBGLDIUHXMRTP-KRWDZBQOSA-N 1 2 361.511 2.606 20 30 FFEDLO C[C@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000579450651 518686668 /nfs/dbraw/zinc/68/66/68/518686668.db2.gz BRBGLDIUHXMRTP-KRWDZBQOSA-N 1 2 361.511 2.606 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000582299136 518687568 /nfs/dbraw/zinc/68/75/68/518687568.db2.gz VRPPMPVXYVNEBZ-QFBILLFUSA-N 1 2 359.495 2.530 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000582299136 518687573 /nfs/dbraw/zinc/68/75/73/518687573.db2.gz VRPPMPVXYVNEBZ-QFBILLFUSA-N 1 2 359.495 2.530 20 30 FFEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000567783829 518708834 /nfs/dbraw/zinc/70/88/34/518708834.db2.gz RIPXSBRJRZDOQZ-IRXDYDNUSA-N 1 2 363.889 2.626 20 30 FFEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000567783829 518708839 /nfs/dbraw/zinc/70/88/39/518708839.db2.gz RIPXSBRJRZDOQZ-IRXDYDNUSA-N 1 2 363.889 2.626 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000570727161 518749968 /nfs/dbraw/zinc/74/99/68/518749968.db2.gz LULAOLYTPBWCPD-INIZCTEOSA-N 1 2 369.387 2.868 20 30 FFEDLO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1nc(C#N)cs1)CC2 ZINC000579656454 518784207 /nfs/dbraw/zinc/78/42/07/518784207.db2.gz OXQCMYQMZJDPRT-UHFFFAOYSA-N 1 2 359.451 2.641 20 30 FFEDLO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1nc(C#N)cs1)CC2 ZINC000579656454 518784216 /nfs/dbraw/zinc/78/42/16/518784216.db2.gz OXQCMYQMZJDPRT-UHFFFAOYSA-N 1 2 359.451 2.641 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000570886085 518824807 /nfs/dbraw/zinc/82/48/07/518824807.db2.gz RZKQYIYAEFBWST-UHFFFAOYSA-N 1 2 354.479 2.644 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1 ZINC000579817290 518868955 /nfs/dbraw/zinc/86/89/55/518868955.db2.gz ULKAIBCYXYLYLA-MRXNPFEDSA-N 1 2 353.426 2.609 20 30 FFEDLO COC(=O)C[N@H+](CCC(=O)Nc1cccc(C#N)c1)CCc1ccccc1 ZINC000573947170 518913970 /nfs/dbraw/zinc/91/39/70/518913970.db2.gz VLXSMTDEVZJOOQ-UHFFFAOYSA-N 1 2 365.433 2.605 20 30 FFEDLO COC(=O)C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CCc1ccccc1 ZINC000573947170 518913975 /nfs/dbraw/zinc/91/39/75/518913975.db2.gz VLXSMTDEVZJOOQ-UHFFFAOYSA-N 1 2 365.433 2.605 20 30 FFEDLO N#Cc1cccc(C(=O)NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)n1 ZINC000589320675 518979383 /nfs/dbraw/zinc/97/93/83/518979383.db2.gz BQFPPFQRWGWFNX-UHFFFAOYSA-N 1 2 369.428 2.841 20 30 FFEDLO N#Cc1cccc(Oc2ccc(NC(=O)N3CCn4c[nH+]cc4C3)cn2)c1 ZINC000589320719 518979446 /nfs/dbraw/zinc/97/94/46/518979446.db2.gz OZMIVBMJOZCYET-UHFFFAOYSA-N 1 2 360.377 2.990 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000577402068 519064050 /nfs/dbraw/zinc/06/40/50/519064050.db2.gz VAYGYOFWHARKPG-UHFFFAOYSA-N 1 2 364.453 2.619 20 30 FFEDLO C=CCCC1(C(=O)NC[C@@H]2CN(C(=O)C3(CCC=C)CC3)CC[N@H+]2C)CC1 ZINC000574333464 519104261 /nfs/dbraw/zinc/10/42/61/519104261.db2.gz UTQBMFVZWQNMSI-GOSISDBHSA-N 1 2 373.541 2.738 20 30 FFEDLO C=CCCC1(C(=O)NC[C@@H]2CN(C(=O)C3(CCC=C)CC3)CC[N@@H+]2C)CC1 ZINC000574333464 519104269 /nfs/dbraw/zinc/10/42/69/519104269.db2.gz UTQBMFVZWQNMSI-GOSISDBHSA-N 1 2 373.541 2.738 20 30 FFEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCc2ccc3ccccc3c2)c1=O ZINC000583452162 519253552 /nfs/dbraw/zinc/25/35/52/519253552.db2.gz VHRHQZXISANDEL-UHFFFAOYSA-N 1 2 373.456 2.948 20 30 FFEDLO COc1ccc(OC)c(C[N@H+](Cc2cnc3c(C#N)cnn3c2)C2CC2)c1 ZINC000571762729 519262985 /nfs/dbraw/zinc/26/29/85/519262985.db2.gz IYOCJASKHJBVSQ-UHFFFAOYSA-N 1 2 363.421 2.783 20 30 FFEDLO COc1ccc(OC)c(C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C2CC2)c1 ZINC000571762729 519262992 /nfs/dbraw/zinc/26/29/92/519262992.db2.gz IYOCJASKHJBVSQ-UHFFFAOYSA-N 1 2 363.421 2.783 20 30 FFEDLO N#Cc1ccncc1N1CCN(Cc2c[nH+]c3ccc(Cl)cn23)CC1 ZINC000577809339 519264201 /nfs/dbraw/zinc/26/42/01/519264201.db2.gz XARQJGHKNNWJSO-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CN(Cc1ccccc1)c1ccccc1 ZINC000566071067 519280905 /nfs/dbraw/zinc/28/09/05/519280905.db2.gz RHFYAYMFVMPQFV-NRFANRHFSA-N 1 2 350.466 2.653 20 30 FFEDLO N#C[C@]1(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC12CCCC2 ZINC000590616185 519290627 /nfs/dbraw/zinc/29/06/27/519290627.db2.gz BTKYANGVLZLNLE-NRFANRHFSA-N 1 2 353.466 2.684 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)c1C#N ZINC000574851641 519364810 /nfs/dbraw/zinc/36/48/10/519364810.db2.gz VUDJIHWBHWVYNB-UHFFFAOYSA-N 1 2 357.439 2.862 20 30 FFEDLO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000569107217 519381230 /nfs/dbraw/zinc/38/12/30/519381230.db2.gz XFZCVKOHMZXFBO-PBHICJAKSA-N 1 2 366.303 2.978 20 30 FFEDLO N#Cc1ccc2c(c1)CCCN2C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000591005629 519473328 /nfs/dbraw/zinc/47/33/28/519473328.db2.gz PITAPKBRBJDMCO-OAQYLSRUSA-N 1 2 361.445 2.738 20 30 FFEDLO N#Cc1ccc2c(c1)CCCN2C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000591005629 519473338 /nfs/dbraw/zinc/47/33/38/519473338.db2.gz PITAPKBRBJDMCO-OAQYLSRUSA-N 1 2 361.445 2.738 20 30 FFEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1CCC1(C#N)CCCCC1 ZINC000591014292 519476198 /nfs/dbraw/zinc/47/61/98/519476198.db2.gz ZWMDIWUIPWMCBN-LJQANCHMSA-N 1 2 365.481 2.980 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)N1CC#N ZINC000602853282 519926969 /nfs/dbraw/zinc/92/69/69/519926969.db2.gz HNPGWXTWASSDKQ-OKILXGFUSA-N 1 2 355.398 2.668 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)N1CC#N ZINC000602853282 519926972 /nfs/dbraw/zinc/92/69/72/519926972.db2.gz HNPGWXTWASSDKQ-OKILXGFUSA-N 1 2 355.398 2.668 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)N(Cc2ccco2)c2ccccc2)C[C@H](C)N1CC#N ZINC000602857879 519931214 /nfs/dbraw/zinc/93/12/14/519931214.db2.gz WMHAHWNTRPSUCC-HDICACEKSA-N 1 2 366.465 2.731 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)N(Cc2ccco2)c2ccccc2)C[C@H](C)N1CC#N ZINC000602857879 519931223 /nfs/dbraw/zinc/93/12/23/519931223.db2.gz WMHAHWNTRPSUCC-HDICACEKSA-N 1 2 366.465 2.731 20 30 FFEDLO N#Cc1cc(F)ccc1NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000602880402 519946511 /nfs/dbraw/zinc/94/65/11/519946511.db2.gz RHOMRZRRXMXYPE-UHFFFAOYSA-N 1 2 371.441 2.967 20 30 FFEDLO N#Cc1ccccc1NC1CC[NH+]([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000602895473 519957829 /nfs/dbraw/zinc/95/78/29/519957829.db2.gz OKZUZLBDYGGHKM-MRXNPFEDSA-N 1 2 366.387 2.598 20 30 FFEDLO N#CC1(CC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)CCOCC1 ZINC000597397159 520000854 /nfs/dbraw/zinc/00/08/54/520000854.db2.gz ACKVSAFCITWKHY-UHFFFAOYSA-N 1 2 361.873 2.695 20 30 FFEDLO N#Cc1cccc(OCC[N@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)c1 ZINC000591852639 520061843 /nfs/dbraw/zinc/06/18/43/520061843.db2.gz BLGNHSJAISHPAI-CALCHBBNSA-N 1 2 358.344 2.739 20 30 FFEDLO N#Cc1cccc(OCC[N@@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)c1 ZINC000591852639 520061852 /nfs/dbraw/zinc/06/18/52/520061852.db2.gz BLGNHSJAISHPAI-CALCHBBNSA-N 1 2 358.344 2.739 20 30 FFEDLO COc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@H](CC#N)C3)C2=O)cc1Cl ZINC000594659819 520070881 /nfs/dbraw/zinc/07/08/81/520070881.db2.gz IFGLKHNLJHYTDY-IUODEOHRSA-N 1 2 361.829 2.606 20 30 FFEDLO COc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@H](CC#N)C3)C2=O)cc1Cl ZINC000594659819 520070888 /nfs/dbraw/zinc/07/08/88/520070888.db2.gz IFGLKHNLJHYTDY-IUODEOHRSA-N 1 2 361.829 2.606 20 30 FFEDLO N#CC[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000594660835 520072631 /nfs/dbraw/zinc/07/26/31/520072631.db2.gz RQJGNOVIEQLLJF-IUODEOHRSA-N 1 2 365.355 2.963 20 30 FFEDLO N#CC[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000594660835 520072642 /nfs/dbraw/zinc/07/26/42/520072642.db2.gz RQJGNOVIEQLLJF-IUODEOHRSA-N 1 2 365.355 2.963 20 30 FFEDLO C[C@@H](C#N)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000600146497 520080412 /nfs/dbraw/zinc/08/04/12/520080412.db2.gz WZJXLWUKFHUHMW-ZDUSSCGKSA-N 1 2 372.296 2.954 20 30 FFEDLO N#CC1(CC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CCOCC1 ZINC000597545155 520093522 /nfs/dbraw/zinc/09/35/22/520093522.db2.gz NCXURJPUXZNZEX-UHFFFAOYSA-N 1 2 361.873 2.525 20 30 FFEDLO N#CC1(CC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CCOCC1 ZINC000597545155 520093533 /nfs/dbraw/zinc/09/35/33/520093533.db2.gz NCXURJPUXZNZEX-UHFFFAOYSA-N 1 2 361.873 2.525 20 30 FFEDLO N#CC1(CC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CCOCC1 ZINC000597582542 520118318 /nfs/dbraw/zinc/11/83/18/520118318.db2.gz REMOHDMQTMDFLQ-UHFFFAOYSA-N 1 2 356.470 2.636 20 30 FFEDLO C[C@@H](CC#N)C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000597645350 520154188 /nfs/dbraw/zinc/15/41/88/520154188.db2.gz VLZFWDBTZWBNRS-LBPRGKRZSA-N 1 2 365.231 2.817 20 30 FFEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000608886177 520155972 /nfs/dbraw/zinc/15/59/72/520155972.db2.gz DPWMALCXMFRADU-UHFFFAOYSA-N 1 2 371.387 2.673 20 30 FFEDLO Cc1cc(NCCNC(=O)C[C@@H](CC#N)c2ccccc2)nc(C(C)C)[nH+]1 ZINC000600363891 520224753 /nfs/dbraw/zinc/22/47/53/520224753.db2.gz CTVJRIMSYGACON-GOSISDBHSA-N 1 2 365.481 2.946 20 30 FFEDLO CC(C)(C)C[C@H](NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccc(F)cc1 ZINC000592149653 520226585 /nfs/dbraw/zinc/22/65/85/520226585.db2.gz SZVPUBYZUJEJLM-FXAWDEMLSA-N 1 2 361.461 2.770 20 30 FFEDLO CC(C)(C)C[C@H](NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1ccc(F)cc1 ZINC000592149653 520226590 /nfs/dbraw/zinc/22/65/90/520226590.db2.gz SZVPUBYZUJEJLM-FXAWDEMLSA-N 1 2 361.461 2.770 20 30 FFEDLO C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149871 520227074 /nfs/dbraw/zinc/22/70/74/520227074.db2.gz YNGRYODWOUTBFT-KPZWWZAWSA-N 1 2 374.441 2.627 20 30 FFEDLO C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149871 520227081 /nfs/dbraw/zinc/22/70/81/520227081.db2.gz YNGRYODWOUTBFT-KPZWWZAWSA-N 1 2 374.441 2.627 20 30 FFEDLO COc1ccc(-n2c(C[N@@H+]3CC[C@@](O)(CC#N)C3)nc3ccccc32)cc1 ZINC000592148884 520227217 /nfs/dbraw/zinc/22/72/17/520227217.db2.gz DPHYEFXPBKONEY-NRFANRHFSA-N 1 2 362.433 2.885 20 30 FFEDLO COc1ccc(-n2c(C[N@H+]3CC[C@@](O)(CC#N)C3)nc3ccccc32)cc1 ZINC000592148884 520227226 /nfs/dbraw/zinc/22/72/26/520227226.db2.gz DPHYEFXPBKONEY-NRFANRHFSA-N 1 2 362.433 2.885 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000592151693 520229422 /nfs/dbraw/zinc/22/94/22/520229422.db2.gz QJFBCRJRKLMCIG-INIZCTEOSA-N 1 2 362.227 2.955 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000592151693 520229429 /nfs/dbraw/zinc/22/94/29/520229429.db2.gz QJFBCRJRKLMCIG-INIZCTEOSA-N 1 2 362.227 2.955 20 30 FFEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000600421376 520251658 /nfs/dbraw/zinc/25/16/58/520251658.db2.gz NNEVIGGCLAGXCG-HNNXBMFYSA-N 1 2 369.396 2.550 20 30 FFEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000600421376 520251669 /nfs/dbraw/zinc/25/16/69/520251669.db2.gz NNEVIGGCLAGXCG-HNNXBMFYSA-N 1 2 369.396 2.550 20 30 FFEDLO COCCOCc1cc(C#N)ccc1NC[C@H]1CCC[N@@H+]1CC(F)F ZINC000603414059 520254428 /nfs/dbraw/zinc/25/44/28/520254428.db2.gz SXDCCAVEPVVROC-MRXNPFEDSA-N 1 2 353.413 2.863 20 30 FFEDLO COCCOCc1cc(C#N)ccc1NC[C@H]1CCC[N@H+]1CC(F)F ZINC000603414059 520254435 /nfs/dbraw/zinc/25/44/35/520254435.db2.gz SXDCCAVEPVVROC-MRXNPFEDSA-N 1 2 353.413 2.863 20 30 FFEDLO N#C[C@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(OC(F)(F)F)cc1 ZINC000609417231 520307002 /nfs/dbraw/zinc/30/70/02/520307002.db2.gz OWPCJNPBHLCLLC-AWEZNQCLSA-N 1 2 352.316 2.943 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)cc1 ZINC000609440727 520310833 /nfs/dbraw/zinc/31/08/33/520310833.db2.gz JOBFPWWARLXDOG-UHFFFAOYSA-N 1 2 368.368 2.564 20 30 FFEDLO C=CC[N@@H+](Cc1ccoc1C(=O)OC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000609431556 520311059 /nfs/dbraw/zinc/31/10/59/520311059.db2.gz LSWQZRZOOLSJKG-AWEZNQCLSA-N 1 2 367.409 2.791 20 30 FFEDLO C=CC[N@H+](Cc1ccoc1C(=O)OC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000609431556 520311067 /nfs/dbraw/zinc/31/10/67/520311067.db2.gz LSWQZRZOOLSJKG-AWEZNQCLSA-N 1 2 367.409 2.791 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000609487236 520329500 /nfs/dbraw/zinc/32/95/00/520329500.db2.gz YUZVCDMSZLGNKF-FQEVSTJZSA-N 1 2 356.514 2.589 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597941381 520341540 /nfs/dbraw/zinc/34/15/40/520341540.db2.gz OSCVIWDTGAMQIN-OAHLLOKOSA-N 1 2 350.422 2.637 20 30 FFEDLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609538680 520347049 /nfs/dbraw/zinc/34/70/49/520347049.db2.gz VLZUSDRDAAQVIB-QUCCMNQESA-N 1 2 356.514 2.508 20 30 FFEDLO Cc1cc(NC(=O)C(=O)N2CC[C@](C)(C#N)C2)ccc1Oc1cc[nH+]cc1 ZINC000595213031 520352838 /nfs/dbraw/zinc/35/28/38/520352838.db2.gz PYTACOVQXRXZDF-HXUWFJFHSA-N 1 2 364.405 2.883 20 30 FFEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cn(CCCC#N)c3ccccc23)[C@H](C)CO1 ZINC000598000721 520370308 /nfs/dbraw/zinc/37/03/08/520370308.db2.gz ZHZKECBSSCVSMV-IAGOWNOFSA-N 1 2 368.481 2.784 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cn(CCCC#N)c3ccccc23)[C@H](C)CO1 ZINC000598000721 520370312 /nfs/dbraw/zinc/37/03/12/520370312.db2.gz ZHZKECBSSCVSMV-IAGOWNOFSA-N 1 2 368.481 2.784 20 30 FFEDLO CC(C)c1cc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)on1 ZINC000609626789 520386560 /nfs/dbraw/zinc/38/65/60/520386560.db2.gz MIMAWILGWLOZDE-UHFFFAOYSA-N 1 2 367.453 2.697 20 30 FFEDLO Cc1cc(F)ccc1N1CCC[C@H]([NH+]2CCN([C@@H](C#N)C(C)C)CC2)C1=O ZINC000609767197 520425837 /nfs/dbraw/zinc/42/58/37/520425837.db2.gz IGHYYZNMAGGFPA-PMACEKPBSA-N 1 2 372.488 2.795 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000592522075 520438214 /nfs/dbraw/zinc/43/82/14/520438214.db2.gz HEJRXFBNILFDKL-CQSZACIVSA-N 1 2 361.186 2.901 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000592522075 520438217 /nfs/dbraw/zinc/43/82/17/520438217.db2.gz HEJRXFBNILFDKL-CQSZACIVSA-N 1 2 361.186 2.901 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[NH2+]CC(F)(F)c1cccc(F)c1 ZINC000600745855 520442874 /nfs/dbraw/zinc/44/28/74/520442874.db2.gz HVNNFVIRHAUBOH-MRXNPFEDSA-N 1 2 350.340 2.819 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[NH2+]CC(F)(F)c1cccc(F)c1 ZINC000600745852 520442967 /nfs/dbraw/zinc/44/29/67/520442967.db2.gz HVNNFVIRHAUBOH-INIZCTEOSA-N 1 2 350.340 2.819 20 30 FFEDLO C=CCC1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCOCC1 ZINC000598179434 520473161 /nfs/dbraw/zinc/47/31/61/520473161.db2.gz ZKQGWZZNJXBPMF-UHFFFAOYSA-N 1 2 356.382 2.636 20 30 FFEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000595470469 520492507 /nfs/dbraw/zinc/49/25/07/520492507.db2.gz VVYLIJBHDTXCRA-HZPDHXFCSA-N 1 2 355.816 2.946 20 30 FFEDLO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000600830729 520492710 /nfs/dbraw/zinc/49/27/10/520492710.db2.gz XNYPFELNZJDXMQ-MAUKXSAKSA-N 1 2 360.477 2.701 20 30 FFEDLO C[C@@]1(C#N)CCN(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000595501100 520512516 /nfs/dbraw/zinc/51/25/16/520512516.db2.gz SORKGDFAUBCSQC-LIRRHRJNSA-N 1 2 362.424 2.874 20 30 FFEDLO C[C@@]1(C#N)CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000595501100 520512522 /nfs/dbraw/zinc/51/25/22/520512522.db2.gz SORKGDFAUBCSQC-LIRRHRJNSA-N 1 2 362.424 2.874 20 30 FFEDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cn([C@H]3CC[C@@H](C#N)C3)nn2)CC1 ZINC000600973056 520566609 /nfs/dbraw/zinc/56/66/09/520566609.db2.gz JAUNRBQLUMHGDX-PBHICJAKSA-N 1 2 359.474 2.697 20 30 FFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000610200200 520577338 /nfs/dbraw/zinc/57/73/38/520577338.db2.gz NMYZRYOYZUFGRS-SFHVURJKSA-N 1 2 351.454 2.696 20 30 FFEDLO Cc1ccc([C@H](CNC(=O)C2(C#N)CC3(CC3)C2)[NH+]2CCOCC2)cc1 ZINC000601005126 520590323 /nfs/dbraw/zinc/59/03/23/520590323.db2.gz FFSHNRVOZOLCMC-SFHVURJKSA-N 1 2 353.466 2.569 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)c(F)c1 ZINC000595629500 520605774 /nfs/dbraw/zinc/60/57/74/520605774.db2.gz DRHHSWHFRRRDSE-UHFFFAOYSA-N 1 2 359.426 2.868 20 30 FFEDLO COC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1cccc(OC)c1 ZINC000595684241 520647825 /nfs/dbraw/zinc/64/78/25/520647825.db2.gz MLYJAYVTWOGZOD-LJQANCHMSA-N 1 2 354.406 2.831 20 30 FFEDLO N#CCCCOc1cccc(C[NH2+]Cc2nnc(C3CCOCC3)[nH]2)c1 ZINC000601146813 520658725 /nfs/dbraw/zinc/65/87/25/520658725.db2.gz CRVASUIUBJCILC-UHFFFAOYSA-N 1 2 355.442 2.671 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595711553 520665819 /nfs/dbraw/zinc/66/58/19/520665819.db2.gz IFKDUZGPSMNCLA-UHFFFAOYSA-N 1 2 354.479 2.930 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595711553 520665828 /nfs/dbraw/zinc/66/58/28/520665828.db2.gz IFKDUZGPSMNCLA-UHFFFAOYSA-N 1 2 354.479 2.930 20 30 FFEDLO N#Cc1ccc(-c2cc(N3CC[NH+](Cc4cncc(F)c4)CC3)n[nH]2)cc1 ZINC000595730952 520677519 /nfs/dbraw/zinc/67/75/19/520677519.db2.gz DOEVUVBLCBVHLE-UHFFFAOYSA-N 1 2 362.412 2.805 20 30 FFEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cc3n(n2)CCCC3)CC1 ZINC000593002734 520677401 /nfs/dbraw/zinc/67/74/01/520677401.db2.gz UVYVSNXTMKHASH-UHFFFAOYSA-N 1 2 372.476 2.961 20 30 FFEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)[C@@H]2CCCC[C@H]12 ZINC000595741246 520689625 /nfs/dbraw/zinc/68/96/25/520689625.db2.gz YFTVVYUFIPNSRK-BFYDXBDKSA-N 1 2 373.453 2.760 20 30 FFEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)[C@@H]2CCCC[C@H]12 ZINC000595741246 520689633 /nfs/dbraw/zinc/68/96/33/520689633.db2.gz YFTVVYUFIPNSRK-BFYDXBDKSA-N 1 2 373.453 2.760 20 30 FFEDLO C[C@@]1(c2cccc(F)c2)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000593041267 520702225 /nfs/dbraw/zinc/70/22/25/520702225.db2.gz PEOWAWWYHMDTFU-LJQANCHMSA-N 1 2 373.453 2.530 20 30 FFEDLO C[C@@]1(c2cccc(F)c2)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000593041267 520702233 /nfs/dbraw/zinc/70/22/33/520702233.db2.gz PEOWAWWYHMDTFU-LJQANCHMSA-N 1 2 373.453 2.530 20 30 FFEDLO CC(C)(C)OCCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000595759097 520703898 /nfs/dbraw/zinc/70/38/98/520703898.db2.gz NYSZWIAVLDZNOE-UHFFFAOYSA-N 1 2 358.486 2.591 20 30 FFEDLO C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N(CCC)[C@H]2c2c[nH+]cn2C)C1 ZINC000617780525 520715431 /nfs/dbraw/zinc/71/54/31/520715431.db2.gz WQTLTNRXOQYUAD-MBOZVWFJSA-N 1 2 372.513 2.925 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000595783977 520722297 /nfs/dbraw/zinc/72/22/97/520722297.db2.gz QGWQOKJXNXUVAF-IBGZPJMESA-N 1 2 362.495 2.613 20 30 FFEDLO C[C@@H](NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)c1cccc(C#N)c1 ZINC000610532055 520730310 /nfs/dbraw/zinc/73/03/10/520730310.db2.gz QMMCOESJAUNHMW-CQSZACIVSA-N 1 2 373.416 2.775 20 30 FFEDLO CC[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1nnc2n1CCCCC2 ZINC000595801523 520735711 /nfs/dbraw/zinc/73/57/11/520735711.db2.gz SMEKAZXCZMWCIR-ZDUSSCGKSA-N 1 2 358.471 2.617 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593109549 520752413 /nfs/dbraw/zinc/75/24/13/520752413.db2.gz KTIBUCLMZVGQIX-CYBMUJFWSA-N 1 2 373.254 2.613 20 30 FFEDLO CC(C)(COCc1ccccc1)NC(=O)NCC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595842703 520759527 /nfs/dbraw/zinc/75/95/27/520759527.db2.gz GWCDWCQUAVGSHE-HXUWFJFHSA-N 1 2 358.486 2.517 20 30 FFEDLO CC(C)(COCc1ccccc1)NC(=O)NCC[N@H+]1CC[C@](C)(C#N)C1 ZINC000595842703 520759537 /nfs/dbraw/zinc/75/95/37/520759537.db2.gz GWCDWCQUAVGSHE-HXUWFJFHSA-N 1 2 358.486 2.517 20 30 FFEDLO C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1[nH+]ccn1C ZINC000595843391 520760174 /nfs/dbraw/zinc/76/01/74/520760174.db2.gz AQTHHWZFIOAMTL-ZDUSSCGKSA-N 1 2 371.416 2.745 20 30 FFEDLO CC(C)(C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)c1c[nH+]c[nH]1 ZINC000598701308 520795780 /nfs/dbraw/zinc/79/57/80/520795780.db2.gz DJYHEJVYNBWWHF-UHFFFAOYSA-N 1 2 357.845 2.561 20 30 FFEDLO CC(C)(C)OC(=O)C1([NH2+]CCCOc2cccc(C#N)c2)CCOCC1 ZINC000595896661 520803711 /nfs/dbraw/zinc/80/37/11/520803711.db2.gz TUQCUSLKLRCOFS-UHFFFAOYSA-N 1 2 360.454 2.808 20 30 FFEDLO N#Cc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1 ZINC000601556740 520839469 /nfs/dbraw/zinc/83/94/69/520839469.db2.gz VVMKDOIZAVMZKL-UHFFFAOYSA-N 1 2 367.478 2.506 20 30 FFEDLO Cn1cccc1C(=O)N1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000610859171 520876508 /nfs/dbraw/zinc/87/65/08/520876508.db2.gz HBGQVKIRSKZTAE-UHFFFAOYSA-N 1 2 350.466 2.784 20 30 FFEDLO N#CC1(CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCCCC1 ZINC000601649003 520883969 /nfs/dbraw/zinc/88/39/69/520883969.db2.gz WMYJVELVDTYHSO-UHFFFAOYSA-N 1 2 373.526 2.908 20 30 FFEDLO N#C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(Br)cc1 ZINC000593396192 520963925 /nfs/dbraw/zinc/96/39/25/520963925.db2.gz AEPJZSSOEXMNPA-OAHLLOKOSA-N 1 2 373.254 2.905 20 30 FFEDLO N#Cc1ccc(C2([NH2+]Cc3cc(O)ccc3[N+](=O)[O-])CCOCC2)cc1 ZINC000599002272 520972759 /nfs/dbraw/zinc/97/27/59/520972759.db2.gz GNIMWGTZIJTKGH-UHFFFAOYSA-N 1 2 353.378 2.968 20 30 FFEDLO N#C[C@@]1(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC12CCCC2 ZINC000601855009 520991188 /nfs/dbraw/zinc/99/11/88/520991188.db2.gz LUXOTAIBRCIIMH-LJQANCHMSA-N 1 2 356.495 2.725 20 30 FFEDLO N#Cc1cc(Br)ccc1CC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000593441181 520992824 /nfs/dbraw/zinc/99/28/24/520992824.db2.gz FHJCXSPFWZXAPG-UHFFFAOYSA-N 1 2 373.254 2.923 20 30 FFEDLO CC(C)(CNC(=O)CSc1ccc(Cl)cc1C#N)[NH+]1CCOCC1 ZINC000601910546 521021352 /nfs/dbraw/zinc/02/13/52/521021352.db2.gz GZVDFRXHICVQOI-UHFFFAOYSA-N 1 2 367.902 2.531 20 30 FFEDLO N#CCCN1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000611174541 521024140 /nfs/dbraw/zinc/02/41/40/521024140.db2.gz LGUISWWIIHDXME-NRFANRHFSA-N 1 2 354.498 2.565 20 30 FFEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cn1 ZINC000611209080 521037530 /nfs/dbraw/zinc/03/75/30/521037530.db2.gz DQGPRDBIIWDLEU-OAHLLOKOSA-N 1 2 370.428 2.996 20 30 FFEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cn1 ZINC000611209080 521037533 /nfs/dbraw/zinc/03/75/33/521037533.db2.gz DQGPRDBIIWDLEU-OAHLLOKOSA-N 1 2 370.428 2.996 20 30 FFEDLO CN1CCCC[C@H]([N@H+](C)Cc2ccc(C#N)cc2Br)C1=O ZINC000601968362 521046948 /nfs/dbraw/zinc/04/69/48/521046948.db2.gz FBTHAXBSQFXRRO-HNNXBMFYSA-N 1 2 350.260 2.763 20 30 FFEDLO CN1CCCC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2Br)C1=O ZINC000601968362 521046955 /nfs/dbraw/zinc/04/69/55/521046955.db2.gz FBTHAXBSQFXRRO-HNNXBMFYSA-N 1 2 350.260 2.763 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(c3cccnc3)CC2)C1=O ZINC000611258764 521062564 /nfs/dbraw/zinc/06/25/64/521062564.db2.gz JWTPXGILSDQLRZ-KRWDZBQOSA-N 1 2 352.463 3.000 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602042154 521097486 /nfs/dbraw/zinc/09/74/86/521097486.db2.gz JLEVFXQOKJDXHI-MRXNPFEDSA-N 1 2 369.400 2.606 20 30 FFEDLO CC(C)C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000599268487 521118545 /nfs/dbraw/zinc/11/85/45/521118545.db2.gz DYXBQCDZNNGCQQ-KRWDZBQOSA-N 1 2 358.486 2.832 20 30 FFEDLO CC1(C)Cc2n[nH]cc2C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000596597334 521154583 /nfs/dbraw/zinc/15/45/83/521154583.db2.gz PBMIGOAVLPKCGR-HNNXBMFYSA-N 1 2 355.467 2.533 20 30 FFEDLO CC1(C)Cc2n[nH]cc2C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000596597334 521154588 /nfs/dbraw/zinc/15/45/88/521154588.db2.gz PBMIGOAVLPKCGR-HNNXBMFYSA-N 1 2 355.467 2.533 20 30 FFEDLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H](CCCC#N)c2ccccc2)[C@H](C)CO1 ZINC000596606580 521164834 /nfs/dbraw/zinc/16/48/34/521164834.db2.gz RGARHNBEVAVRMG-LMMKCTJWSA-N 1 2 358.486 2.830 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](CCCC#N)c2ccccc2)[C@H](C)CO1 ZINC000596606580 521164840 /nfs/dbraw/zinc/16/48/40/521164840.db2.gz RGARHNBEVAVRMG-LMMKCTJWSA-N 1 2 358.486 2.830 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(C3(C#N)CCOCC3)n2)O1 ZINC000596613133 521166374 /nfs/dbraw/zinc/16/63/74/521166374.db2.gz BNQBXYURAQOEGQ-NVXWUHKLSA-N 1 2 368.437 2.603 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(C3(C#N)CCOCC3)n2)O1 ZINC000596613133 521166378 /nfs/dbraw/zinc/16/63/78/521166378.db2.gz BNQBXYURAQOEGQ-NVXWUHKLSA-N 1 2 368.437 2.603 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000602145160 521170582 /nfs/dbraw/zinc/17/05/82/521170582.db2.gz XSCZOSWULIEVQV-SFTDATJTSA-N 1 2 361.445 2.945 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000602145160 521170584 /nfs/dbraw/zinc/17/05/84/521170584.db2.gz XSCZOSWULIEVQV-SFTDATJTSA-N 1 2 361.445 2.945 20 30 FFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000599365682 521177163 /nfs/dbraw/zinc/17/71/63/521177163.db2.gz GHFSWSLWHQZATD-ZWKOTPCHSA-N 1 2 364.873 2.785 20 30 FFEDLO N#CC1(C[C@H](O)C[N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000599365682 521177170 /nfs/dbraw/zinc/17/71/70/521177170.db2.gz GHFSWSLWHQZATD-ZWKOTPCHSA-N 1 2 364.873 2.785 20 30 FFEDLO CC[C@H]1CCCCN1C(=O)C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611550493 521213401 /nfs/dbraw/zinc/21/34/01/521213401.db2.gz FSGGHEMVDKPMIA-VQTJNVASSA-N 1 2 372.488 2.799 20 30 FFEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000611550224 521214050 /nfs/dbraw/zinc/21/40/50/521214050.db2.gz AGGHYGBUDOSHIT-FNZWTVRRSA-N 1 2 371.481 2.816 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCc2[nH+]c[nH]c2C1 ZINC000599428485 521215232 /nfs/dbraw/zinc/21/52/32/521215232.db2.gz ARHURRHVATUDJV-LBPRGKRZSA-N 1 2 369.494 2.997 20 30 FFEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CC(=O)NC2CCCCCC2)CC1 ZINC000611551485 521215404 /nfs/dbraw/zinc/21/54/04/521215404.db2.gz MEAORTBUIUJXNW-HXUWFJFHSA-N 1 2 372.488 2.847 20 30 FFEDLO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)nc1 ZINC000599443196 521227614 /nfs/dbraw/zinc/22/76/14/521227614.db2.gz KABMOZCLIZHVTN-UHFFFAOYSA-N 1 2 361.348 2.973 20 30 FFEDLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)nc1 ZINC000599443196 521227622 /nfs/dbraw/zinc/22/76/22/521227622.db2.gz KABMOZCLIZHVTN-UHFFFAOYSA-N 1 2 361.348 2.973 20 30 FFEDLO C[C@H]1C[N@H+](CC(=O)Nc2sccc2C#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599590916 521314763 /nfs/dbraw/zinc/31/47/63/521314763.db2.gz SHTPIKDFZPVMDN-GXTWGEPZSA-N 1 2 363.483 2.858 20 30 FFEDLO C[C@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599590916 521314771 /nfs/dbraw/zinc/31/47/71/521314771.db2.gz SHTPIKDFZPVMDN-GXTWGEPZSA-N 1 2 363.483 2.858 20 30 FFEDLO C[C@]1(C#N)CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000615231294 521325862 /nfs/dbraw/zinc/32/58/62/521325862.db2.gz NSIOTODLBIPGPG-GDBMZVCRSA-N 1 2 371.250 2.954 20 30 FFEDLO C[C@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000615231294 521325867 /nfs/dbraw/zinc/32/58/67/521325867.db2.gz NSIOTODLBIPGPG-GDBMZVCRSA-N 1 2 371.250 2.954 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000599612693 521332674 /nfs/dbraw/zinc/33/26/74/521332674.db2.gz DSULFVLJLVTQSK-UHFFFAOYSA-N 1 2 364.371 2.719 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000599612693 521332682 /nfs/dbraw/zinc/33/26/82/521332682.db2.gz DSULFVLJLVTQSK-UHFFFAOYSA-N 1 2 364.371 2.719 20 30 FFEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000615322977 521364788 /nfs/dbraw/zinc/36/47/88/521364788.db2.gz XLPKIHGDMGUWIV-MRXNPFEDSA-N 1 2 360.845 2.613 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)NCC1(c3ccccc3)CC1)C2 ZINC000599679483 521395180 /nfs/dbraw/zinc/39/51/80/521395180.db2.gz UKXSOHIOKWAGAF-UHFFFAOYSA-N 1 2 359.473 2.959 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)NCC1(c3ccccc3)CC1)C2 ZINC000599679483 521395184 /nfs/dbraw/zinc/39/51/84/521395184.db2.gz UKXSOHIOKWAGAF-UHFFFAOYSA-N 1 2 359.473 2.959 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(F)c(C#N)c1 ZINC000599683388 521399400 /nfs/dbraw/zinc/39/94/00/521399400.db2.gz SVAVNKSHQKZBDA-UHFFFAOYSA-N 1 2 355.369 2.539 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(F)c(C#N)c1 ZINC000599683388 521399408 /nfs/dbraw/zinc/39/94/08/521399408.db2.gz SVAVNKSHQKZBDA-UHFFFAOYSA-N 1 2 355.369 2.539 20 30 FFEDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000599692418 521404818 /nfs/dbraw/zinc/40/48/18/521404818.db2.gz WJEMVOVOVQVUND-HNNXBMFYSA-N 1 2 350.260 2.811 20 30 FFEDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000599692418 521404827 /nfs/dbraw/zinc/40/48/27/521404827.db2.gz WJEMVOVOVQVUND-HNNXBMFYSA-N 1 2 350.260 2.811 20 30 FFEDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000599692781 521406953 /nfs/dbraw/zinc/40/69/53/521406953.db2.gz XLXWDLDBOWFHPA-OAHLLOKOSA-N 1 2 350.260 2.811 20 30 FFEDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000599692781 521406959 /nfs/dbraw/zinc/40/69/59/521406959.db2.gz XLXWDLDBOWFHPA-OAHLLOKOSA-N 1 2 350.260 2.811 20 30 FFEDLO N#CC1(c2ccc(C[NH+]3CCN(C(=O)c4cccc(O)c4)CC3)cc2)CC1 ZINC000596994302 521431438 /nfs/dbraw/zinc/43/14/38/521431438.db2.gz DCJOGMACWVKHOV-UHFFFAOYSA-N 1 2 361.445 2.905 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c(Cl)cc1O ZINC000602619018 521438845 /nfs/dbraw/zinc/43/88/45/521438845.db2.gz WCBBWJVQKFUIQJ-UHFFFAOYSA-N 1 2 358.829 2.643 20 30 FFEDLO Cc1cccn2c(NC(=O)N3CCN(c4ccsc4C#N)CC3)c[nH+]c12 ZINC000597085607 521490548 /nfs/dbraw/zinc/49/05/48/521490548.db2.gz XKHBNKAKOMWLBZ-UHFFFAOYSA-N 1 2 366.450 2.930 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000615682311 521500140 /nfs/dbraw/zinc/50/01/40/521500140.db2.gz WPFUAPBPFJUFHU-TZMCWYRMSA-N 1 2 359.227 2.589 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1Br ZINC000615763785 521523099 /nfs/dbraw/zinc/52/30/99/521523099.db2.gz UHLCEHZZYWGJJX-BXUZGUMPSA-N 1 2 359.227 2.589 20 30 FFEDLO N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000619421413 521558960 /nfs/dbraw/zinc/55/89/60/521558960.db2.gz SIEDOJNFWPUGBW-SFHVURJKSA-N 1 2 371.872 2.726 20 30 FFEDLO COCCOc1ccccc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000597184684 521562752 /nfs/dbraw/zinc/56/27/52/521562752.db2.gz YRZANWNCZQRLDG-UHFFFAOYSA-N 1 2 357.479 2.967 20 30 FFEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N2CCC[C@@](C)(C#N)C2)cc1 ZINC000612357522 521590411 /nfs/dbraw/zinc/59/04/11/521590411.db2.gz HHCDLVDCSAHGKG-FPOVZHCZSA-N 1 2 370.497 2.704 20 30 FFEDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccc(CC#N)c1 ZINC000619485005 521593005 /nfs/dbraw/zinc/59/30/05/521593005.db2.gz XPMIJIOQFXHONZ-KRWDZBQOSA-N 1 2 369.490 2.648 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccc(CC#N)c1 ZINC000619485005 521593010 /nfs/dbraw/zinc/59/30/10/521593010.db2.gz XPMIJIOQFXHONZ-KRWDZBQOSA-N 1 2 369.490 2.648 20 30 FFEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000625981811 521822402 /nfs/dbraw/zinc/82/24/02/521822402.db2.gz FUAGLWHZTDOXBK-HNNXBMFYSA-N 1 2 361.367 2.941 20 30 FFEDLO C=C[C@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)C(=O)OC ZINC000619701917 521831836 /nfs/dbraw/zinc/83/18/36/521831836.db2.gz ZVYTVYOUFNLDTB-HNNXBMFYSA-N 1 2 368.271 2.815 20 30 FFEDLO N#C[C@H](c1ccc(Cl)cc1)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000619784751 521871273 /nfs/dbraw/zinc/87/12/73/521871273.db2.gz PBHAZESZMRFEAZ-LJQANCHMSA-N 1 2 374.916 2.925 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000626074394 521910505 /nfs/dbraw/zinc/91/05/05/521910505.db2.gz XARJLZGSSJBUAZ-GOSISDBHSA-N 1 2 366.509 2.875 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000626074394 521910515 /nfs/dbraw/zinc/91/05/15/521910515.db2.gz XARJLZGSSJBUAZ-GOSISDBHSA-N 1 2 366.509 2.875 20 30 FFEDLO C=CC[C@@H]1CCN(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000626253397 522049514 /nfs/dbraw/zinc/04/95/14/522049514.db2.gz CTVHLQURBSIRHB-MRXNPFEDSA-N 1 2 356.470 2.504 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CCCCC1 ZINC000629433588 522214485 /nfs/dbraw/zinc/21/44/85/522214485.db2.gz RATQWVXRVQZTNC-IBGZPJMESA-N 1 2 357.498 2.925 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CCCCC1 ZINC000629433588 522214490 /nfs/dbraw/zinc/21/44/90/522214490.db2.gz RATQWVXRVQZTNC-IBGZPJMESA-N 1 2 357.498 2.925 20 30 FFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000633647120 522897379 /nfs/dbraw/zinc/89/73/79/522897379.db2.gz STLDGODETDYTTM-HDICACEKSA-N 1 2 373.472 2.893 20 30 FFEDLO C=CCCC(C)(C)CNC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000636593347 523086718 /nfs/dbraw/zinc/08/67/18/523086718.db2.gz JVCIKGLMETUERL-UHFFFAOYSA-N 1 2 354.454 2.597 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)c3c[nH]c4ccc(F)cc43)C2)nc1 ZINC000625443500 523444068 /nfs/dbraw/zinc/44/40/68/523444068.db2.gz HUWMPULALLKVRR-HNNXBMFYSA-N 1 2 364.380 2.910 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)c3c[nH]c4ccc(F)cc43)C2)nc1 ZINC000625443500 523444079 /nfs/dbraw/zinc/44/40/79/523444079.db2.gz HUWMPULALLKVRR-HNNXBMFYSA-N 1 2 364.380 2.910 20 30 FFEDLO Cc1nc(N(C)C)nc(NC2CCC(Oc3ccccc3C#N)CC2)[nH+]1 ZINC000488421542 561389602 /nfs/dbraw/zinc/38/96/02/561389602.db2.gz SNDNAPOVIGAXEN-UHFFFAOYSA-N 1 2 352.442 2.920 20 30 FFEDLO Cc1nc(NC2CCC(Oc3ccccc3C#N)CC2)nc(N(C)C)[nH+]1 ZINC000488421542 561389603 /nfs/dbraw/zinc/38/96/03/561389603.db2.gz SNDNAPOVIGAXEN-UHFFFAOYSA-N 1 2 352.442 2.920 20 30 FFEDLO Cn1cc(C#N)c(=NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)[nH]1 ZINC000615979539 555261265 /nfs/dbraw/zinc/26/12/65/555261265.db2.gz CWFPIAXVOQSSJR-CABCVRRESA-N 1 2 358.833 2.512 20 30 FFEDLO Cn1cc(C#N)c(=NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)[nH]1 ZINC000615979539 555261267 /nfs/dbraw/zinc/26/12/67/555261267.db2.gz CWFPIAXVOQSSJR-CABCVRRESA-N 1 2 358.833 2.512 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2ccsc2C(F)(F)F)c1C#N ZINC000530261275 562404566 /nfs/dbraw/zinc/40/45/66/562404566.db2.gz JGVYKAUFSWVRIG-UHFFFAOYSA-N 1 2 357.361 2.766 20 30 FFEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)NCCCCn2cc[nH+]c2)n1 ZINC000540981370 562599381 /nfs/dbraw/zinc/59/93/81/562599381.db2.gz BBERUAHDHHCPIB-UHFFFAOYSA-N 1 2 367.388 2.681 20 30 FFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000669188730 568386389 /nfs/dbraw/zinc/38/63/89/568386389.db2.gz FBGHDZQTLAIAPL-LZQZEXGQSA-N 1 2 355.482 2.540 20 30 FFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000669188730 568386390 /nfs/dbraw/zinc/38/63/90/568386390.db2.gz FBGHDZQTLAIAPL-LZQZEXGQSA-N 1 2 355.482 2.540 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)C1CC1 ZINC000823904067 608266816 /nfs/dbraw/zinc/26/68/16/608266816.db2.gz UJWZOKLUXZLSQR-UHFFFAOYSA-N 1 2 372.498 2.786 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)C1CC1 ZINC000823904067 608266818 /nfs/dbraw/zinc/26/68/18/608266818.db2.gz UJWZOKLUXZLSQR-UHFFFAOYSA-N 1 2 372.498 2.786 20 30 FFEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(-c2nn[nH]n2)c1 ZINC000824635096 608483699 /nfs/dbraw/zinc/48/36/99/608483699.db2.gz YRUXZCAQICLBBW-LBPRGKRZSA-N 1 2 372.392 2.639 20 30 FFEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nccc(Cl)c2C#N)CC1 ZINC001164917966 721813893 /nfs/dbraw/zinc/81/38/93/721813893.db2.gz SEWFVGZEXAHMEH-UHFFFAOYSA-N 1 2 356.861 2.553 20 30 FFEDLO Cc1nn2c(nc3ccccc3c2=O)c1=C[NH2+]Nc1ccc(Cl)nc1 ZINC000743451377 735299046 /nfs/dbraw/zinc/29/90/46/735299046.db2.gz FJOKXSODWXVSQB-UHFFFAOYSA-N 1 2 352.785 2.979 20 30 FFEDLO C#CC[N@@H+](CC)CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000746456695 735484934 /nfs/dbraw/zinc/48/49/34/735484934.db2.gz FKGYOUXUOIPXCW-UHFFFAOYSA-N 1 2 359.451 2.721 20 30 FFEDLO C#CC[N@H+](CC)CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000746456695 735484935 /nfs/dbraw/zinc/48/49/35/735484935.db2.gz FKGYOUXUOIPXCW-UHFFFAOYSA-N 1 2 359.451 2.721 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c(Cl)c1 ZINC000856556955 730345865 /nfs/dbraw/zinc/34/58/65/730345865.db2.gz YIKWYMQHXNDTJL-DLBZAZTESA-N 1 2 354.841 2.562 20 30 FFEDLO N#Cc1ccc(C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c(Cl)c1 ZINC000856556955 730345869 /nfs/dbraw/zinc/34/58/69/730345869.db2.gz YIKWYMQHXNDTJL-DLBZAZTESA-N 1 2 354.841 2.562 20 30 FFEDLO N#CC1(C[C@H](O)C[N@@H+]2Cc3ccc(Br)cc3C2)CCOCC1 ZINC000859251937 730447120 /nfs/dbraw/zinc/44/71/20/730447120.db2.gz HDPFEMJBLMMGOT-INIZCTEOSA-N 1 2 365.271 2.836 20 30 FFEDLO N#CC1(C[C@H](O)C[N@H+]2Cc3ccc(Br)cc3C2)CCOCC1 ZINC000859251937 730447122 /nfs/dbraw/zinc/44/71/22/730447122.db2.gz HDPFEMJBLMMGOT-INIZCTEOSA-N 1 2 365.271 2.836 20 30 FFEDLO CCC(=[NH+]Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(N)cc1 ZINC000863087558 730750078 /nfs/dbraw/zinc/75/00/78/730750078.db2.gz QIBUGCMKPQTTCG-UHFFFAOYSA-N 1 2 358.467 2.936 20 30 FFEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000866001816 731020404 /nfs/dbraw/zinc/02/04/04/731020404.db2.gz IFWUHSMJNPHGCR-GXTWGEPZSA-N 1 2 370.881 2.671 20 30 FFEDLO C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1cccc(C#N)c1O ZINC000866365173 731052420 /nfs/dbraw/zinc/05/24/20/731052420.db2.gz FWDCFMXSEIEZIY-NSHDSACASA-N 1 2 362.227 2.539 20 30 FFEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000867680714 731213111 /nfs/dbraw/zinc/21/31/11/731213111.db2.gz SGJNZHKZLZPBDG-UHFFFAOYSA-N 1 2 363.414 2.714 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)nn1 ZINC000653672291 731283453 /nfs/dbraw/zinc/28/34/53/731283453.db2.gz JBUGEZAECCNNFZ-MRXNPFEDSA-N 1 2 365.275 2.614 20 30 FFEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000870332511 731498073 /nfs/dbraw/zinc/49/80/73/731498073.db2.gz XRLOQAVLSNHETI-OLZOCXBDSA-N 1 2 364.845 2.609 20 30 FFEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000870332511 731498074 /nfs/dbraw/zinc/49/80/74/731498074.db2.gz XRLOQAVLSNHETI-OLZOCXBDSA-N 1 2 364.845 2.609 20 30 FFEDLO C=CCCn1cc(C[NH2+]Cc2ccc(OC)c(Br)c2)nn1 ZINC000657341100 731771806 /nfs/dbraw/zinc/77/18/06/731771806.db2.gz LKAIZSNTJPCVJZ-UHFFFAOYSA-N 1 2 351.248 2.915 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@@H](C)COC ZINC000661246438 732187739 /nfs/dbraw/zinc/18/77/39/732187739.db2.gz IUZOSNGLMZRXBW-ZDUSSCGKSA-N 1 2 368.861 2.963 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@@H](C)COC ZINC000661246438 732187740 /nfs/dbraw/zinc/18/77/40/732187740.db2.gz IUZOSNGLMZRXBW-ZDUSSCGKSA-N 1 2 368.861 2.963 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878159504 732490849 /nfs/dbraw/zinc/49/08/49/732490849.db2.gz MWFAFQNMAPWQOE-KRWDZBQOSA-N 1 2 372.296 2.575 20 30 FFEDLO C=CC[N@@H+](CCOC)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878503241 732543515 /nfs/dbraw/zinc/54/35/15/732543515.db2.gz PZEIXYXIIXNTKQ-UHFFFAOYSA-N 1 2 352.778 2.933 20 30 FFEDLO C=CC[N@H+](CCOC)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878503241 732543519 /nfs/dbraw/zinc/54/35/19/732543519.db2.gz PZEIXYXIIXNTKQ-UHFFFAOYSA-N 1 2 352.778 2.933 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879623509 732735648 /nfs/dbraw/zinc/73/56/48/732735648.db2.gz ZJFGMYMOBOPVIM-CABCVRRESA-N 1 2 361.511 2.970 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879623509 732735652 /nfs/dbraw/zinc/73/56/52/732735652.db2.gz ZJFGMYMOBOPVIM-CABCVRRESA-N 1 2 361.511 2.970 20 30 FFEDLO C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000667017198 732930674 /nfs/dbraw/zinc/93/06/74/732930674.db2.gz KZUJRAFODAUTSH-BBRMVZONSA-N 1 2 364.515 2.784 20 30 FFEDLO C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000667017198 732930677 /nfs/dbraw/zinc/93/06/77/732930677.db2.gz KZUJRAFODAUTSH-BBRMVZONSA-N 1 2 364.515 2.784 20 30 FFEDLO C#CC[C@H](NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)c1ccccc1 ZINC000882020054 733156751 /nfs/dbraw/zinc/15/67/51/733156751.db2.gz VKKKOWQMDFMNBL-IBGZPJMESA-N 1 2 354.475 2.717 20 30 FFEDLO C#CC[C@H](NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)c1ccccc1 ZINC000882020054 733156755 /nfs/dbraw/zinc/15/67/55/733156755.db2.gz VKKKOWQMDFMNBL-IBGZPJMESA-N 1 2 354.475 2.717 20 30 FFEDLO Cc1nc(C#N)cc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000882148730 733179675 /nfs/dbraw/zinc/17/96/75/733179675.db2.gz UJKFPWIZBPXYKK-FUHWJXTLSA-N 1 2 357.845 2.794 20 30 FFEDLO Cc1nc(C#N)cc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000882148730 733179676 /nfs/dbraw/zinc/17/96/76/733179676.db2.gz UJKFPWIZBPXYKK-FUHWJXTLSA-N 1 2 357.845 2.794 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1 ZINC000886617700 733809852 /nfs/dbraw/zinc/80/98/52/733809852.db2.gz WCTFJUFNPPWWKL-HOCLYGCPSA-N 1 2 372.412 2.996 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1 ZINC000886617700 733809858 /nfs/dbraw/zinc/80/98/58/733809858.db2.gz WCTFJUFNPPWWKL-HOCLYGCPSA-N 1 2 372.412 2.996 20 30 FFEDLO Cn1c(CO[NH+]=C(N)c2ccc(Br)cc2)nnc1C1CCC1 ZINC000782950293 738767503 /nfs/dbraw/zinc/76/75/03/738767503.db2.gz VBOXIKLONLIMCP-UHFFFAOYSA-N 1 2 364.247 2.682 20 30 FFEDLO C[C@@H]1CCN(C(=O)Nc2nc(Cl)c(C#N)s2)C[C@H]1n1cc[nH+]c1 ZINC000888414184 734051890 /nfs/dbraw/zinc/05/18/90/734051890.db2.gz PBDNLHLIOHAWCY-NXEZZACHSA-N 1 2 350.835 2.980 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000728056232 734514278 /nfs/dbraw/zinc/51/42/78/734514278.db2.gz KSUPYLLHUARAMH-AWEZNQCLSA-N 1 2 355.360 2.854 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000728056232 734514281 /nfs/dbraw/zinc/51/42/81/734514281.db2.gz KSUPYLLHUARAMH-AWEZNQCLSA-N 1 2 355.360 2.854 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1OC ZINC000783733805 738830510 /nfs/dbraw/zinc/83/05/10/738830510.db2.gz JGHQEYCXJTXGOK-DYVFJYSZSA-N 1 2 368.271 2.837 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)cc1OC ZINC000783733805 738830516 /nfs/dbraw/zinc/83/05/16/738830516.db2.gz JGHQEYCXJTXGOK-DYVFJYSZSA-N 1 2 368.271 2.837 20 30 FFEDLO COc1ccnc(N=NCc2c[nH+]c3c(C)cc(Br)cn23)n1 ZINC000783825251 738840139 /nfs/dbraw/zinc/84/01/39/738840139.db2.gz XTHLYAAHLGTTPN-UHFFFAOYSA-N 1 2 361.203 2.650 20 30 FFEDLO C=CC[N@@H+](Cc1c(C)cc(C)c(COC)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000893968877 734779650 /nfs/dbraw/zinc/77/96/50/734779650.db2.gz MXDUFJKRLGPDKC-KRWDZBQOSA-N 1 2 351.512 2.933 20 30 FFEDLO C=CC[N@H+](Cc1c(C)cc(C)c(COC)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000893968877 734779651 /nfs/dbraw/zinc/77/96/51/734779651.db2.gz MXDUFJKRLGPDKC-KRWDZBQOSA-N 1 2 351.512 2.933 20 30 FFEDLO N#CCOc1ccc(Cl)cc1CN1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000735310687 734940497 /nfs/dbraw/zinc/94/04/97/734940497.db2.gz ATWJLBYLAPJTII-SFHVURJKSA-N 1 2 363.889 2.929 20 30 FFEDLO C=C(C)C[C@H]([NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)OCC ZINC000895593192 735029217 /nfs/dbraw/zinc/02/92/17/735029217.db2.gz XRWUDWTVQODPCL-PBHICJAKSA-N 1 2 353.484 2.681 20 30 FFEDLO C#CCC1(O)CC[NH+](Cc2ccc(F)cc2I)CC1 ZINC000895669823 735038669 /nfs/dbraw/zinc/03/86/69/735038669.db2.gz HVVFHWUPDNQJBW-UHFFFAOYSA-N 1 2 373.209 2.781 20 30 FFEDLO C=C(Cl)C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(=O)[O-] ZINC000901938605 735874300 /nfs/dbraw/zinc/87/43/00/735874300.db2.gz IQGAFYCWFPIORY-KRWDZBQOSA-N 1 2 351.878 2.907 20 30 FFEDLO N#Cc1ccc(COC(=O)CCc2ccc(N)[nH+]c2)c(Br)c1 ZINC000751460063 735880716 /nfs/dbraw/zinc/88/07/16/735880716.db2.gz WDHFGHLNONYQTI-UHFFFAOYSA-N 1 2 360.211 2.974 20 30 FFEDLO CC(C)OCc1noc(CO[NH+]=C(N)c2ccc(Br)cc2)n1 ZINC000902727360 735985956 /nfs/dbraw/zinc/98/59/56/735985956.db2.gz LYDXIMKCGIEBOV-UHFFFAOYSA-N 1 2 369.219 2.594 20 30 FFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC(C)(C)C#N)[C@H]1c1ccc(Cl)cc1 ZINC000790044066 739411647 /nfs/dbraw/zinc/41/16/47/739411647.db2.gz JFOHUNCAXWSFNF-HUUCEWRRSA-N 1 2 355.891 2.554 20 30 FFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CC(C)(C)C#N)[C@H]1c1ccc(Cl)cc1 ZINC000790044066 739411649 /nfs/dbraw/zinc/41/16/49/739411649.db2.gz JFOHUNCAXWSFNF-HUUCEWRRSA-N 1 2 355.891 2.554 20 30 FFEDLO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1cc(Br)c(F)cc1O ZINC000756551467 736341666 /nfs/dbraw/zinc/34/16/66/736341666.db2.gz BTOYPUFYSZVUMB-SNVBAGLBSA-N 1 2 356.239 2.932 20 30 FFEDLO N#Cc1sc2ccccc2c1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000906891067 736556255 /nfs/dbraw/zinc/55/62/55/736556255.db2.gz PYXWDUARGYJLPR-UHFFFAOYSA-N 1 2 372.475 2.995 20 30 FFEDLO C=C(C)CNC(=S)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000765519938 737127966 /nfs/dbraw/zinc/12/79/66/737127966.db2.gz JOMCHSFJSNPOID-HZPDHXFCSA-N 1 2 353.919 2.752 20 30 FFEDLO C=C(C)CNC(=S)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000765519938 737127967 /nfs/dbraw/zinc/12/79/67/737127967.db2.gz JOMCHSFJSNPOID-HZPDHXFCSA-N 1 2 353.919 2.752 20 30 FFEDLO N#Cc1cc(C(F)(F)F)ccc1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767566790 737339691 /nfs/dbraw/zinc/33/96/91/737339691.db2.gz QPXJOYPLMORHQI-OKILXGFUSA-N 1 2 354.328 2.597 20 30 FFEDLO N#Cc1cc(C(F)(F)F)ccc1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767566790 737339694 /nfs/dbraw/zinc/33/96/94/737339694.db2.gz QPXJOYPLMORHQI-OKILXGFUSA-N 1 2 354.328 2.597 20 30 FFEDLO CC(C)(C#N)CS(=O)(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000915533469 737635718 /nfs/dbraw/zinc/63/57/18/737635718.db2.gz HCMMQHUKKYNJHV-MRXNPFEDSA-N 1 2 361.467 2.580 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)[C@H]1CCCO1 ZINC000775350742 738086014 /nfs/dbraw/zinc/08/60/14/738086014.db2.gz QMAJSCRMECWHGQ-GDBMZVCRSA-N 1 2 351.237 2.845 20 30 FFEDLO C#CCOc1cccc(Cl)c1C[NH2+]CC(=O)NCCc1ccccc1 ZINC000778170544 738361086 /nfs/dbraw/zinc/36/10/86/738361086.db2.gz SUQWBYUYTBPIHH-UHFFFAOYSA-N 1 2 356.853 2.801 20 30 FFEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC000778176601 738361488 /nfs/dbraw/zinc/36/14/88/738361488.db2.gz IQSNYMPJCQYGMR-UHFFFAOYSA-N 1 2 354.837 2.928 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@H]3CCC[C@@H](C(F)(F)F)O3)CC2)nc1 ZINC000929328375 738970056 /nfs/dbraw/zinc/97/00/56/738970056.db2.gz VKKBDMOYHCRMKQ-CABCVRRESA-N 1 2 354.376 2.575 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933653237 739667566 /nfs/dbraw/zinc/66/75/66/739667566.db2.gz RHXSAFSLPDXTEQ-LBPRGKRZSA-N 1 2 350.365 2.630 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC000970569588 740752619 /nfs/dbraw/zinc/75/26/19/740752619.db2.gz BQIGJDBYIDZJGL-SKDZVZGDSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC000972395603 740829006 /nfs/dbraw/zinc/82/90/06/740829006.db2.gz AWZLQPOAYHNZDG-HRCADAONSA-N 1 2 364.287 2.626 20 30 FFEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC000972395603 740829011 /nfs/dbraw/zinc/82/90/11/740829011.db2.gz AWZLQPOAYHNZDG-HRCADAONSA-N 1 2 364.287 2.626 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2)CC1(C)C ZINC000975068603 740921927 /nfs/dbraw/zinc/92/19/27/740921927.db2.gz XNXWYLIYPQTVJO-OWCLPIDISA-N 1 2 363.889 2.653 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccnc(Cl)c2)CC1(C)C ZINC000975068603 740921930 /nfs/dbraw/zinc/92/19/30/740921930.db2.gz XNXWYLIYPQTVJO-OWCLPIDISA-N 1 2 363.889 2.653 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2nccs2)CC1(C)C ZINC000977270494 741073055 /nfs/dbraw/zinc/07/30/55/741073055.db2.gz BQRMPBUNQCWKTQ-UXLLHSPISA-N 1 2 363.527 2.841 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nccs2)CC1(C)C ZINC000977270494 741073060 /nfs/dbraw/zinc/07/30/60/741073060.db2.gz BQRMPBUNQCWKTQ-UXLLHSPISA-N 1 2 363.527 2.841 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001001846105 742135304 /nfs/dbraw/zinc/13/53/04/742135304.db2.gz VGQUWCYGQCBGAB-CABCVRRESA-N 1 2 369.918 2.716 20 30 FFEDLO C=CCn1cc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)nn1 ZINC000818347716 742265663 /nfs/dbraw/zinc/26/56/63/742265663.db2.gz UFYIAZFYBQDLRS-SECBINFHSA-N 1 2 355.211 2.922 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)C1 ZINC001014402240 742465952 /nfs/dbraw/zinc/46/59/52/742465952.db2.gz KUGAUCQRSARNKF-UKPHBRMFSA-N 1 2 364.873 2.750 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)C1 ZINC001014402240 742465957 /nfs/dbraw/zinc/46/59/57/742465957.db2.gz KUGAUCQRSARNKF-UKPHBRMFSA-N 1 2 364.873 2.750 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001014801507 742472914 /nfs/dbraw/zinc/47/29/14/742472914.db2.gz QQLBRBJESBFFSC-NEWSRXKRSA-N 1 2 360.885 2.697 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001014801507 742472916 /nfs/dbraw/zinc/47/29/16/742472916.db2.gz QQLBRBJESBFFSC-NEWSRXKRSA-N 1 2 360.885 2.697 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC001015725990 742479526 /nfs/dbraw/zinc/47/95/26/742479526.db2.gz HNUMUUIPEWCFLF-LZWOXQAQSA-N 1 2 352.837 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001015725990 742479528 /nfs/dbraw/zinc/47/95/28/742479528.db2.gz HNUMUUIPEWCFLF-LZWOXQAQSA-N 1 2 352.837 2.761 20 30 FFEDLO C#C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000820559753 742518904 /nfs/dbraw/zinc/51/89/04/742518904.db2.gz NBAUNDJQAAYXDY-ROUUACIJSA-N 1 2 361.873 2.521 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1csc(C)n1 ZINC001024444257 742726664 /nfs/dbraw/zinc/72/66/64/742726664.db2.gz YLWPIVHSVVBAQC-KURKYZTESA-N 1 2 363.527 2.903 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1csc(C)n1 ZINC001024444257 742726669 /nfs/dbraw/zinc/72/66/69/742726669.db2.gz YLWPIVHSVVBAQC-KURKYZTESA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001024568058 742730985 /nfs/dbraw/zinc/73/09/85/742730985.db2.gz PJAMXSWMKQBOQG-OAGGEKHMSA-N 1 2 371.319 2.681 20 30 FFEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001024568058 742730987 /nfs/dbraw/zinc/73/09/87/742730987.db2.gz PJAMXSWMKQBOQG-OAGGEKHMSA-N 1 2 371.319 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001028154008 742788545 /nfs/dbraw/zinc/78/85/45/742788545.db2.gz AUNCMHBTIHFSAH-BFHYXJOUSA-N 1 2 353.260 2.872 20 30 FFEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001028154008 742788551 /nfs/dbraw/zinc/78/85/51/742788551.db2.gz AUNCMHBTIHFSAH-BFHYXJOUSA-N 1 2 353.260 2.872 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001033085688 742869388 /nfs/dbraw/zinc/86/93/88/742869388.db2.gz AJSHKFDIEPAECT-BBWFWOEESA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001033085688 742869397 /nfs/dbraw/zinc/86/93/97/742869397.db2.gz AJSHKFDIEPAECT-BBWFWOEESA-N 1 2 363.889 2.749 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001033493545 742893927 /nfs/dbraw/zinc/89/39/27/742893927.db2.gz XLPDUXJRFSRZLH-SQNIBIBYSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001033493545 742893935 /nfs/dbraw/zinc/89/39/35/742893935.db2.gz XLPDUXJRFSRZLH-SQNIBIBYSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001033833909 742896633 /nfs/dbraw/zinc/89/66/33/742896633.db2.gz SFNRVOHBILLGEN-BBWFWOEESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001033833909 742896640 /nfs/dbraw/zinc/89/66/40/742896640.db2.gz SFNRVOHBILLGEN-BBWFWOEESA-N 1 2 363.527 2.856 20 30 FFEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1 ZINC000825068389 743204672 /nfs/dbraw/zinc/20/46/72/743204672.db2.gz OPMQCDHOCRMIFV-BBRMVZONSA-N 1 2 351.397 2.713 20 30 FFEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1 ZINC000825068389 743204678 /nfs/dbraw/zinc/20/46/78/743204678.db2.gz OPMQCDHOCRMIFV-BBRMVZONSA-N 1 2 351.397 2.713 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001046329284 743319159 /nfs/dbraw/zinc/31/91/59/743319159.db2.gz NPESMBCJMGOHPY-ZMSDIMECSA-N 1 2 364.287 2.674 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001046329284 743319167 /nfs/dbraw/zinc/31/91/67/743319167.db2.gz NPESMBCJMGOHPY-ZMSDIMECSA-N 1 2 364.287 2.674 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001049739900 743484543 /nfs/dbraw/zinc/48/45/43/743484543.db2.gz SAZNMGBAWAMELV-QCODTGAPSA-N 1 2 369.303 2.528 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001049739900 743484547 /nfs/dbraw/zinc/48/45/47/743484547.db2.gz SAZNMGBAWAMELV-QCODTGAPSA-N 1 2 369.303 2.528 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)CO2 ZINC001053949557 745001834 /nfs/dbraw/zinc/00/18/34/745001834.db2.gz KFNPXMHISLHRBR-FGTMMUONSA-N 1 2 360.885 2.979 20 30 FFEDLO C[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000835070422 745944569 /nfs/dbraw/zinc/94/45/69/745944569.db2.gz UUHVXHTZVNONSS-CHWSQXEVSA-N 1 2 350.488 2.997 20 30 FFEDLO C[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000835070422 745944570 /nfs/dbraw/zinc/94/45/70/745944570.db2.gz UUHVXHTZVNONSS-CHWSQXEVSA-N 1 2 350.488 2.997 20 30 FFEDLO C#C[C@H](NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCCO1 ZINC000836408664 746214833 /nfs/dbraw/zinc/21/48/33/746214833.db2.gz NWNHOZHRQMVKAQ-DOTOQJQBSA-N 1 2 358.829 2.506 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839199885 746800315 /nfs/dbraw/zinc/80/03/15/746800315.db2.gz DQGSZJJZGWTMTF-GOSISDBHSA-N 1 2 364.877 2.633 20 30 FFEDLO Cc1ncc(CO)c(/C=N/CC[N@@H+]2CCc3c(Cl)cccc3C2)c1O ZINC000840705959 747163359 /nfs/dbraw/zinc/16/33/59/747163359.db2.gz JFNKIHAYBCMGSX-UFFVCSGVSA-N 1 2 359.857 2.719 20 30 FFEDLO Cc1ncc(CO)c(/C=N/CC[N@H+]2CCc3c(Cl)cccc3C2)c1O ZINC000840705959 747163365 /nfs/dbraw/zinc/16/33/65/747163365.db2.gz JFNKIHAYBCMGSX-UFFVCSGVSA-N 1 2 359.857 2.719 20 30 FFEDLO Cc1ccc(C)c(N=C2NC(=O)/C(=C\c3c[nH+]c(N(C)C)n3C)S2)c1 ZINC000840714216 747164662 /nfs/dbraw/zinc/16/46/62/747164662.db2.gz DSLKWTRMBBXFET-OQLLNIDSSA-N 1 2 355.467 2.995 20 30 FFEDLO CN1c2ccccc2C(C)(C)C1=CC(=O)CSC[C@H]1C[N@H+](C)CCO1 ZINC000842652084 747649842 /nfs/dbraw/zinc/64/98/42/747649842.db2.gz JAAXMQOLOXJAMT-VXIUPONVSA-N 1 2 360.523 2.931 20 30 FFEDLO CN1c2ccccc2C(C)(C)C1=CC(=O)CSC[C@H]1C[N@@H+](C)CCO1 ZINC000842652084 747649844 /nfs/dbraw/zinc/64/98/44/747649844.db2.gz JAAXMQOLOXJAMT-VXIUPONVSA-N 1 2 360.523 2.931 20 30 FFEDLO CSc1ccc(NC(=O)C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1 ZINC000844366042 748013834 /nfs/dbraw/zinc/01/38/34/748013834.db2.gz KUSGMUFJNAXBRH-GOSISDBHSA-N 1 2 355.463 2.884 20 30 FFEDLO CSc1ccc(NC(=O)C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1 ZINC000844366042 748013841 /nfs/dbraw/zinc/01/38/41/748013841.db2.gz KUSGMUFJNAXBRH-GOSISDBHSA-N 1 2 355.463 2.884 20 30 FFEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1 ZINC000847023829 748600509 /nfs/dbraw/zinc/60/05/09/748600509.db2.gz OVHHKFRRYQVHIL-OAHLLOKOSA-N 1 2 356.857 2.869 20 30 FFEDLO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1 ZINC000847023829 748600510 /nfs/dbraw/zinc/60/05/10/748600510.db2.gz OVHHKFRRYQVHIL-OAHLLOKOSA-N 1 2 356.857 2.869 20 30 FFEDLO Cc1cc(CN=Nc2ccnc(Cl)c2)c(C)n1CC[NH+]1CCOCC1 ZINC000853394248 750055364 /nfs/dbraw/zinc/05/53/64/750055364.db2.gz JXLOGPCMKCIEFI-UHFFFAOYSA-N 1 2 361.877 2.932 20 30 FFEDLO C=CC[C@H]1CCC[N@@H+](Cn2nc(CCC(N)=O)n(CC(C)C)c2=S)C1 ZINC000853535771 750086408 /nfs/dbraw/zinc/08/64/08/750086408.db2.gz BREAFTXIBWMBOT-HNNXBMFYSA-N 1 2 365.547 2.734 20 30 FFEDLO C=CC[C@H]1CCC[N@H+](Cn2nc(CCC(N)=O)n(CC(C)C)c2=S)C1 ZINC000853535771 750086416 /nfs/dbraw/zinc/08/64/16/750086416.db2.gz BREAFTXIBWMBOT-HNNXBMFYSA-N 1 2 365.547 2.734 20 30 FFEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3ccc(CO)cc3)c2)n1 ZINC000180367980 970809948 /nfs/dbraw/zinc/80/99/48/970809948.db2.gz JXDJOSNRPBROMP-UHFFFAOYSA-N 1 2 364.449 2.878 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104808576 970877151 /nfs/dbraw/zinc/87/71/51/970877151.db2.gz WHRVOFKAXVGGRU-QBIMZIAESA-N 1 2 358.486 2.514 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104836806 970967178 /nfs/dbraw/zinc/96/71/78/970967178.db2.gz CHXQIASWJFVOSY-HFTRVMKXSA-N 1 2 358.486 2.902 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CCCCC1 ZINC001105023983 971375113 /nfs/dbraw/zinc/37/51/13/971375113.db2.gz ISMAGQYMJACIBY-SQNIBIBYSA-N 1 2 358.486 2.853 20 30 FFEDLO C=CCCC(C)(C)NC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000665448054 971475315 /nfs/dbraw/zinc/47/53/15/971475315.db2.gz VNZTZMHOIJIDSL-UHFFFAOYSA-N 1 2 358.486 2.941 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2nnc(-c3ccc(OC)cc3)o2)cc1 ZINC000054230538 971571512 /nfs/dbraw/zinc/57/15/12/971571512.db2.gz KOKGRTFCEFPQHG-UHFFFAOYSA-N 1 2 354.366 2.591 20 30 FFEDLO CC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC)c(C#N)c1 ZINC001029482442 971635279 /nfs/dbraw/zinc/63/52/79/971635279.db2.gz JZLGMCSQALBBIU-OQIJWPOYSA-N 1 2 353.466 2.788 20 30 FFEDLO CC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC)c(C#N)c1 ZINC001029482442 971635284 /nfs/dbraw/zinc/63/52/84/971635284.db2.gz JZLGMCSQALBBIU-OQIJWPOYSA-N 1 2 353.466 2.788 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)c4ccccc4[nH]3)C[C@@H]2C1 ZINC001088031978 971944621 /nfs/dbraw/zinc/94/46/21/971944621.db2.gz UVPNLRYLZMNCBP-CABCVRRESA-N 1 2 371.868 2.675 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)c4ccccc4[nH]3)C[C@@H]2C1 ZINC001088031978 971944625 /nfs/dbraw/zinc/94/46/25/971944625.db2.gz UVPNLRYLZMNCBP-CABCVRRESA-N 1 2 371.868 2.675 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2nc(C)oc2C)CC1(C)C ZINC000974586262 972032504 /nfs/dbraw/zinc/03/25/04/972032504.db2.gz CUKHQKJAERQYHR-NJAFHUGGSA-N 1 2 361.486 2.599 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2nc(C)oc2C)CC1(C)C ZINC000974586262 972032511 /nfs/dbraw/zinc/03/25/11/972032511.db2.gz CUKHQKJAERQYHR-NJAFHUGGSA-N 1 2 361.486 2.599 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3nnc(CC)[nH]3)CC[C@@H]2C1 ZINC001088064535 972066935 /nfs/dbraw/zinc/06/69/35/972066935.db2.gz JNKOXFFSNMDZQI-XHSDSOJGSA-N 1 2 359.518 2.811 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3nnc(CC)[nH]3)CC[C@@H]2C1 ZINC001088064535 972066939 /nfs/dbraw/zinc/06/69/39/972066939.db2.gz JNKOXFFSNMDZQI-XHSDSOJGSA-N 1 2 359.518 2.811 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2ccncc2Br)C1=O ZINC001276002139 1013271368 /nfs/dbraw/zinc/27/13/68/1013271368.db2.gz DHQGRIBJANLAFZ-MRXNPFEDSA-N 1 2 350.260 2.597 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccncc2Br)C1=O ZINC001276002139 1013271378 /nfs/dbraw/zinc/27/13/78/1013271378.db2.gz DHQGRIBJANLAFZ-MRXNPFEDSA-N 1 2 350.260 2.597 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C)n(C)n2)CCCCC1 ZINC001110177952 1013367477 /nfs/dbraw/zinc/36/74/77/1013367477.db2.gz OYLNIXYEMOUOGK-AABGKKOBSA-N 1 2 368.525 2.924 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C)n(C)n2)CCCCC1 ZINC001110177952 1013367489 /nfs/dbraw/zinc/36/74/89/1013367489.db2.gz OYLNIXYEMOUOGK-AABGKKOBSA-N 1 2 368.525 2.924 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110178906 1013375078 /nfs/dbraw/zinc/37/50/78/1013375078.db2.gz LCNWUJBWZKFACB-NEWSRXKRSA-N 1 2 357.429 2.512 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110178906 1013375084 /nfs/dbraw/zinc/37/50/84/1013375084.db2.gz LCNWUJBWZKFACB-NEWSRXKRSA-N 1 2 357.429 2.512 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1F ZINC001110182848 1013416407 /nfs/dbraw/zinc/41/64/07/1013416407.db2.gz BSKKXNGTGHXBPQ-FXBSTXGRSA-N 1 2 350.409 2.777 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1F ZINC001110182848 1013416408 /nfs/dbraw/zinc/41/64/08/1013416408.db2.gz BSKKXNGTGHXBPQ-FXBSTXGRSA-N 1 2 350.409 2.777 20 30 FFEDLO CCCc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)cs1 ZINC001075709212 964368020 /nfs/dbraw/zinc/36/80/20/964368020.db2.gz BDDYYSFTETUSFP-SUMWQHHRSA-N 1 2 369.494 2.642 20 30 FFEDLO CCCc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)cs1 ZINC001075709212 964368033 /nfs/dbraw/zinc/36/80/33/964368033.db2.gz BDDYYSFTETUSFP-SUMWQHHRSA-N 1 2 369.494 2.642 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2cc(F)ccc2C#N)O1 ZINC000960885915 1013506921 /nfs/dbraw/zinc/50/69/21/1013506921.db2.gz MRSNWLQYFYDSPA-NIKGAXFTSA-N 1 2 359.445 2.688 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2cc(F)ccc2C#N)O1 ZINC000960885915 1013506928 /nfs/dbraw/zinc/50/69/28/1013506928.db2.gz MRSNWLQYFYDSPA-NIKGAXFTSA-N 1 2 359.445 2.688 20 30 FFEDLO N#Cc1ccc(F)c(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)c1 ZINC001279524524 964744796 /nfs/dbraw/zinc/74/47/96/964744796.db2.gz NHUQPAUEQQULPE-UHFFFAOYSA-N 1 2 355.335 2.940 20 30 FFEDLO N#Cc1ccc(F)c(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)c1 ZINC001279524524 964744800 /nfs/dbraw/zinc/74/48/00/964744800.db2.gz NHUQPAUEQQULPE-UHFFFAOYSA-N 1 2 355.335 2.940 20 30 FFEDLO O=C(NCC#Cc1ccccc1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000048415670 964748751 /nfs/dbraw/zinc/74/87/51/964748751.db2.gz UFVZNUFORCUIEF-UHFFFAOYSA-N 1 2 358.445 2.825 20 30 FFEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000328873457 964955100 /nfs/dbraw/zinc/95/51/00/964955100.db2.gz RBZAOYRUXQQGEJ-SFHVURJKSA-N 1 2 367.453 2.689 20 30 FFEDLO CCc1[nH]ccc1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001075756014 965121180 /nfs/dbraw/zinc/12/11/80/965121180.db2.gz KKHAYMDUDCVOPJ-MGPUTAFESA-N 1 2 366.440 2.934 20 30 FFEDLO CCc1[nH]ccc1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001075756014 965121187 /nfs/dbraw/zinc/12/11/87/965121187.db2.gz KKHAYMDUDCVOPJ-MGPUTAFESA-N 1 2 366.440 2.934 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001087468257 965204956 /nfs/dbraw/zinc/20/49/56/965204956.db2.gz PDNXLEDYMCWUMS-IEBWSBKVSA-N 1 2 367.424 2.912 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001087468257 965204968 /nfs/dbraw/zinc/20/49/68/965204968.db2.gz PDNXLEDYMCWUMS-IEBWSBKVSA-N 1 2 367.424 2.912 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2nccs2)C1 ZINC001087471549 965386734 /nfs/dbraw/zinc/38/67/34/965386734.db2.gz KLAPAUSUIILZRZ-ROUUACIJSA-N 1 2 369.490 2.763 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2nccs2)C1 ZINC001087471549 965386747 /nfs/dbraw/zinc/38/67/47/965386747.db2.gz KLAPAUSUIILZRZ-ROUUACIJSA-N 1 2 369.490 2.763 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000328998835 965424833 /nfs/dbraw/zinc/42/48/33/965424833.db2.gz WYDGNWIMTVCPOT-PSFFPDNBSA-N 1 2 373.501 2.697 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nccn2C)C1 ZINC001112149735 965957696 /nfs/dbraw/zinc/95/76/96/965957696.db2.gz PXNDBLMDNNAICZ-MGPQQGTHSA-N 1 2 358.408 2.501 20 30 FFEDLO C#C[C@@H](NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCO1 ZINC000773553975 1013644998 /nfs/dbraw/zinc/64/49/98/1013644998.db2.gz DEHKHUUMCIRHKS-RTBURBONSA-N 1 2 370.497 2.510 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2csnn2)C1 ZINC001211580903 967499167 /nfs/dbraw/zinc/49/91/67/967499167.db2.gz UWJXMLGNQQLUIT-RBUKOAKNSA-N 1 2 368.506 2.816 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3csc([C@H]4CCCO4)n3)[C@@H]2C1 ZINC001075793505 967502397 /nfs/dbraw/zinc/50/23/97/967502397.db2.gz GYBNYSUONZAKDP-NWANDNLSSA-N 1 2 367.902 2.893 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3csc([C@H]4CCCO4)n3)[C@@H]2C1 ZINC001075793505 967502411 /nfs/dbraw/zinc/50/24/11/967502411.db2.gz GYBNYSUONZAKDP-NWANDNLSSA-N 1 2 367.902 2.893 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cncs2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001087513598 967543024 /nfs/dbraw/zinc/54/30/24/967543024.db2.gz ASCASZWVGRWUBF-JKSUJKDBSA-N 1 2 358.442 2.937 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cncs2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001087513598 967543027 /nfs/dbraw/zinc/54/30/27/967543027.db2.gz ASCASZWVGRWUBF-JKSUJKDBSA-N 1 2 358.442 2.937 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC000972529332 967630473 /nfs/dbraw/zinc/63/04/73/967630473.db2.gz JQIVPJOGLNIDAF-GJYPPUQNSA-N 1 2 359.470 2.566 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC000972529332 967630476 /nfs/dbraw/zinc/63/04/76/967630476.db2.gz JQIVPJOGLNIDAF-GJYPPUQNSA-N 1 2 359.470 2.566 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087531503 967757187 /nfs/dbraw/zinc/75/71/87/967757187.db2.gz ROSOZKRCWYTOCI-FUHWJXTLSA-N 1 2 368.412 2.581 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087531503 967757219 /nfs/dbraw/zinc/75/72/19/967757219.db2.gz ROSOZKRCWYTOCI-FUHWJXTLSA-N 1 2 368.412 2.581 20 30 FFEDLO CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000052870001 967959213 /nfs/dbraw/zinc/95/92/13/967959213.db2.gz PJTDGSBPIONKMD-IRXDYDNUSA-N 1 2 372.469 2.532 20 30 FFEDLO CCOC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000052870001 967959222 /nfs/dbraw/zinc/95/92/22/967959222.db2.gz PJTDGSBPIONKMD-IRXDYDNUSA-N 1 2 372.469 2.532 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)CCc1ccc(C)[nH+]c1C ZINC001271027174 967977097 /nfs/dbraw/zinc/97/70/97/967977097.db2.gz TVQDUCIQBAOWMO-RTBURBONSA-N 1 2 355.482 2.799 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccnnc2C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087642914 968458990 /nfs/dbraw/zinc/45/89/90/968458990.db2.gz PWHYTGXODGVTBP-RBUKOAKNSA-N 1 2 367.428 2.579 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccnnc2C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087642914 968458998 /nfs/dbraw/zinc/45/89/98/968458998.db2.gz PWHYTGXODGVTBP-RBUKOAKNSA-N 1 2 367.428 2.579 20 30 FFEDLO N#Cc1cc2cccnc2nc1NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176957039 1013811163 /nfs/dbraw/zinc/81/11/63/1013811163.db2.gz DGUQBOJABUUTCX-HNNXBMFYSA-N 1 2 358.405 2.752 20 30 FFEDLO C=C[C@](C)(O)CC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000685708695 968745751 /nfs/dbraw/zinc/74/57/51/968745751.db2.gz PIFMOMBDBHPOPL-IBGZPJMESA-N 1 2 353.426 2.589 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(CC)ncnc2CC)[C@H]1CC ZINC001087728953 968777241 /nfs/dbraw/zinc/77/72/41/968777241.db2.gz ZMURXACVBUNGNT-JKSUJKDBSA-N 1 2 350.894 2.937 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(CC)ncnc2CC)[C@H]1CC ZINC001087728953 968777248 /nfs/dbraw/zinc/77/72/48/968777248.db2.gz ZMURXACVBUNGNT-JKSUJKDBSA-N 1 2 350.894 2.937 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2sc(N(C)C)nc2C)[C@H]1CC ZINC001087751178 968897396 /nfs/dbraw/zinc/89/73/96/968897396.db2.gz AYNDHCRHGDVARH-QWHCGFSZSA-N 1 2 356.923 2.853 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2sc(N(C)C)nc2C)[C@H]1CC ZINC001087751178 968897399 /nfs/dbraw/zinc/89/73/99/968897399.db2.gz AYNDHCRHGDVARH-QWHCGFSZSA-N 1 2 356.923 2.853 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncc(CC)o2)[C@@H]1CC ZINC001087758511 968912838 /nfs/dbraw/zinc/91/28/38/968912838.db2.gz YRLXKIVDZHFBNM-BMFAXAFESA-N 1 2 361.486 2.687 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(CC)o2)[C@@H]1CC ZINC001087758511 968912844 /nfs/dbraw/zinc/91/28/44/968912844.db2.gz YRLXKIVDZHFBNM-BMFAXAFESA-N 1 2 361.486 2.687 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cc3c([nH]2)CCC3)[C@H]1CC ZINC001087792745 969092517 /nfs/dbraw/zinc/09/25/17/969092517.db2.gz WJJRKRZTCOQUIY-GOEBONIOSA-N 1 2 366.303 2.995 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cc3c([nH]2)CCC3)[C@H]1CC ZINC001087792745 969092521 /nfs/dbraw/zinc/09/25/21/969092521.db2.gz WJJRKRZTCOQUIY-GOEBONIOSA-N 1 2 366.303 2.995 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(CC#N)c1 ZINC001177085871 1013849041 /nfs/dbraw/zinc/84/90/41/1013849041.db2.gz BONKUQAQPIQWHT-INIZCTEOSA-N 1 2 369.425 2.550 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(CC#N)c1 ZINC001177085871 1013849047 /nfs/dbraw/zinc/84/90/47/1013849047.db2.gz BONKUQAQPIQWHT-INIZCTEOSA-N 1 2 369.425 2.550 20 30 FFEDLO N#Cc1ccc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)c(CO)c1 ZINC000892486094 969104738 /nfs/dbraw/zinc/10/47/38/969104738.db2.gz RKLYJOGQXCXOLR-HXUWFJFHSA-N 1 2 371.868 2.560 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C(C)C)n3)[C@@H]2CC)cn1 ZINC001087801413 969126685 /nfs/dbraw/zinc/12/66/85/969126685.db2.gz NPCRESLRFWHIAQ-VQTJNVASSA-N 1 2 365.481 2.623 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccn(C(C)C)n3)[C@@H]2CC)cn1 ZINC001087801413 969126692 /nfs/dbraw/zinc/12/66/92/969126692.db2.gz NPCRESLRFWHIAQ-VQTJNVASSA-N 1 2 365.481 2.623 20 30 FFEDLO C=CC(C)(C)CCCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001177114313 1013851622 /nfs/dbraw/zinc/85/16/22/1013851622.db2.gz SPDQIOULRLJBFK-UHFFFAOYSA-N 1 2 372.513 2.619 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3noc(CC)n3)C2)CC1 ZINC001104631332 969987256 /nfs/dbraw/zinc/98/72/56/969987256.db2.gz JOVNLRLNCYGBBQ-HZPDHXFCSA-N 1 2 360.502 2.953 20 30 FFEDLO Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)o1 ZINC001075522760 970088802 /nfs/dbraw/zinc/08/88/02/970088802.db2.gz WRPVZXYNNRYHCU-MAUKXSAKSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)o1 ZINC001075522760 970088808 /nfs/dbraw/zinc/08/88/08/970088808.db2.gz WRPVZXYNNRYHCU-MAUKXSAKSA-N 1 2 353.397 2.945 20 30 FFEDLO C=CC(C)(C)CCCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000875134364 1013976278 /nfs/dbraw/zinc/97/62/78/1013976278.db2.gz AYHYQDABFQAXSC-UHFFFAOYSA-N 1 2 354.454 2.597 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C(F)(F)F)cnn2C)[C@H]1CC ZINC001087814269 970356739 /nfs/dbraw/zinc/35/67/39/970356739.db2.gz GHOCKEPTBSKQKY-NWDGAFQWSA-N 1 2 364.799 2.774 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C(F)(F)F)cnn2C)[C@H]1CC ZINC001087814269 970356754 /nfs/dbraw/zinc/35/67/54/970356754.db2.gz GHOCKEPTBSKQKY-NWDGAFQWSA-N 1 2 364.799 2.774 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCCOC2)[C@H]1CC ZINC001087832794 970473372 /nfs/dbraw/zinc/47/33/72/970473372.db2.gz YNLSKMKLTCYOCA-QLFBSQMISA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCOC2)[C@H]1CC ZINC001087832794 970473380 /nfs/dbraw/zinc/47/33/80/970473380.db2.gz YNLSKMKLTCYOCA-QLFBSQMISA-N 1 2 359.308 2.681 20 30 FFEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000875617460 1014053982 /nfs/dbraw/zinc/05/39/82/1014053982.db2.gz IKXBASVNOUAHGT-OALUTQOASA-N 1 2 358.486 2.832 20 30 FFEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000875617460 1014053984 /nfs/dbraw/zinc/05/39/84/1014053984.db2.gz IKXBASVNOUAHGT-OALUTQOASA-N 1 2 358.486 2.832 20 30 FFEDLO C=C1CCC(C(=O)NC[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000975516393 972780230 /nfs/dbraw/zinc/78/02/30/972780230.db2.gz QHPMNVPZBBOCQD-CGTJXYLNSA-N 1 2 370.497 2.614 20 30 FFEDLO C=C1CCC(C(=O)NC[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000975516393 972780239 /nfs/dbraw/zinc/78/02/39/972780239.db2.gz QHPMNVPZBBOCQD-CGTJXYLNSA-N 1 2 370.497 2.614 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC(F)(F)C(F)F ZINC001271585649 973904481 /nfs/dbraw/zinc/90/44/81/973904481.db2.gz SAPWPAGXKYJSCP-MCIONIFRSA-N 1 2 366.399 2.839 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2coc(C)n2)C1 ZINC001027607818 975009695 /nfs/dbraw/zinc/00/96/95/975009695.db2.gz GWSXKMBPTDCIDE-QYZOEREBSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2coc(C)n2)C1 ZINC001027607818 975009701 /nfs/dbraw/zinc/00/97/01/975009701.db2.gz GWSXKMBPTDCIDE-QYZOEREBSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncc(CC)o2)C1 ZINC001027612743 975032022 /nfs/dbraw/zinc/03/20/22/975032022.db2.gz OSJZSVPJWLWJNR-AYBZRNKSSA-N 1 2 361.486 2.641 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ncc(CC)o2)C1 ZINC001027612743 975032024 /nfs/dbraw/zinc/03/20/24/975032024.db2.gz OSJZSVPJWLWJNR-AYBZRNKSSA-N 1 2 361.486 2.641 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)on2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088778802 976138662 /nfs/dbraw/zinc/13/86/62/976138662.db2.gz WJGOJBMIJZSWIO-KDOFPFPSSA-N 1 2 367.424 2.935 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)on2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088778802 976138666 /nfs/dbraw/zinc/13/86/66/976138666.db2.gz WJGOJBMIJZSWIO-KDOFPFPSSA-N 1 2 367.424 2.935 20 30 FFEDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000842146787 976577158 /nfs/dbraw/zinc/57/71/58/976577158.db2.gz APUUFZUKOSWTRC-KRWDZBQOSA-N 1 2 373.840 2.824 20 30 FFEDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000842146787 976577164 /nfs/dbraw/zinc/57/71/64/976577164.db2.gz APUUFZUKOSWTRC-KRWDZBQOSA-N 1 2 373.840 2.824 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(C(=O)OCC)cc1 ZINC001142595193 976732926 /nfs/dbraw/zinc/73/29/26/976732926.db2.gz OXFWWFVYUDBRJJ-LJQANCHMSA-N 1 2 369.465 2.899 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(C(=O)OCC)cc1 ZINC001142595193 976732934 /nfs/dbraw/zinc/73/29/34/976732934.db2.gz OXFWWFVYUDBRJJ-LJQANCHMSA-N 1 2 369.465 2.899 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)nn1 ZINC000653572940 1014379590 /nfs/dbraw/zinc/37/95/90/1014379590.db2.gz KIVCLFABOCKTBT-UHFFFAOYSA-N 1 2 372.448 2.779 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)nn1 ZINC000653585573 1014384363 /nfs/dbraw/zinc/38/43/63/1014384363.db2.gz YQVQRFFQJAKDAH-MRXNPFEDSA-N 1 2 371.485 2.948 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)nn1 ZINC000653585573 1014384375 /nfs/dbraw/zinc/38/43/75/1014384375.db2.gz YQVQRFFQJAKDAH-MRXNPFEDSA-N 1 2 371.485 2.948 20 30 FFEDLO Cc1ccccc1-c1cnc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)o1 ZINC001075615836 977311899 /nfs/dbraw/zinc/31/18/99/977311899.db2.gz AMARREQXQHIXLU-SOLBZPMBSA-N 1 2 364.449 2.842 20 30 FFEDLO Cc1ccccc1-c1cnc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)o1 ZINC001075615836 977311907 /nfs/dbraw/zinc/31/19/07/977311907.db2.gz AMARREQXQHIXLU-SOLBZPMBSA-N 1 2 364.449 2.842 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(-c4cccs4)on3)C[C@H]21 ZINC001075616567 977328063 /nfs/dbraw/zinc/32/80/63/977328063.db2.gz XEEXWBDVCJCIKK-VNHYZAJKSA-N 1 2 356.451 2.595 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(-c4cccs4)on3)C[C@H]21 ZINC001075616567 977328070 /nfs/dbraw/zinc/32/80/70/977328070.db2.gz XEEXWBDVCJCIKK-VNHYZAJKSA-N 1 2 356.451 2.595 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC(C)(C)CO3)[C@@H]2C1 ZINC001076028976 977452791 /nfs/dbraw/zinc/45/27/91/977452791.db2.gz BIQQJYUFLFEECJ-SOUVJXGZSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC(C)(C)CO3)[C@@H]2C1 ZINC001076028976 977452794 /nfs/dbraw/zinc/45/27/94/977452794.db2.gz BIQQJYUFLFEECJ-SOUVJXGZSA-N 1 2 371.319 2.633 20 30 FFEDLO C=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001087441831 977518995 /nfs/dbraw/zinc/51/89/95/977518995.db2.gz AVDLXSMAHDNBFT-UYAOXDASSA-N 1 2 364.493 2.922 20 30 FFEDLO C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cnccc2N(C)C)C1 ZINC001087441831 977519001 /nfs/dbraw/zinc/51/90/01/977519001.db2.gz AVDLXSMAHDNBFT-UYAOXDASSA-N 1 2 364.493 2.922 20 30 FFEDLO C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cnccc2N(C)C)C1 ZINC001087441831 977519007 /nfs/dbraw/zinc/51/90/07/977519007.db2.gz AVDLXSMAHDNBFT-UYAOXDASSA-N 1 2 364.493 2.922 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CCC1CCCC1 ZINC001211790710 977900528 /nfs/dbraw/zinc/90/05/28/977900528.db2.gz AVFDXBQABOQMFK-NHCUHLMSSA-N 1 2 354.494 2.824 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CCC1CCCC1 ZINC001211790710 977900535 /nfs/dbraw/zinc/90/05/35/977900535.db2.gz AVFDXBQABOQMFK-NHCUHLMSSA-N 1 2 354.494 2.824 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001087458523 977929614 /nfs/dbraw/zinc/92/96/14/977929614.db2.gz GITTWKAVLCKSSF-IEBWSBKVSA-N 1 2 367.424 2.912 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001087458523 977929620 /nfs/dbraw/zinc/92/96/20/977929620.db2.gz GITTWKAVLCKSSF-IEBWSBKVSA-N 1 2 367.424 2.912 20 30 FFEDLO Cc1nsc(NC[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1C#N ZINC001060103414 979169455 /nfs/dbraw/zinc/16/94/55/979169455.db2.gz XKFWPRILYYNKQF-MGPQQGTHSA-N 1 2 370.482 2.501 20 30 FFEDLO Cc1nsc(NC[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1C#N ZINC001060103414 979169461 /nfs/dbraw/zinc/16/94/61/979169461.db2.gz XKFWPRILYYNKQF-MGPQQGTHSA-N 1 2 370.482 2.501 20 30 FFEDLO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](CC=C(Cl)Cl)C[C@H]32)c1 ZINC001076223083 979244116 /nfs/dbraw/zinc/24/41/16/979244116.db2.gz HKBXCQJOAVPIGG-DZGCQCFKSA-N 1 2 350.249 2.528 20 30 FFEDLO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+](CC=C(Cl)Cl)C[C@H]32)c1 ZINC001076223083 979244125 /nfs/dbraw/zinc/24/41/25/979244125.db2.gz HKBXCQJOAVPIGG-DZGCQCFKSA-N 1 2 350.249 2.528 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(OC)cc3)[C@@H]2C1 ZINC001076491121 979577744 /nfs/dbraw/zinc/57/77/44/979577744.db2.gz RJOCPPKHKHHQIH-GOEBONIOSA-N 1 2 365.271 2.750 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(OC)cc3)[C@@H]2C1 ZINC001076491121 979577748 /nfs/dbraw/zinc/57/77/48/979577748.db2.gz RJOCPPKHKHHQIH-GOEBONIOSA-N 1 2 365.271 2.750 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)COc3ccccc3)[C@@H]2C1 ZINC001076493555 979581501 /nfs/dbraw/zinc/58/15/01/979581501.db2.gz LXLRSMMZHQYBFC-GOEBONIOSA-N 1 2 365.271 2.507 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)COc3ccccc3)[C@@H]2C1 ZINC001076493555 979581504 /nfs/dbraw/zinc/58/15/04/979581504.db2.gz LXLRSMMZHQYBFC-GOEBONIOSA-N 1 2 365.271 2.507 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC000968864377 1014598814 /nfs/dbraw/zinc/59/88/14/1014598814.db2.gz UWJFHLWNLAQYLU-CUWPLCDZSA-N 1 2 371.456 2.595 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCCC[C@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC000968864377 1014598823 /nfs/dbraw/zinc/59/88/23/1014598823.db2.gz UWJFHLWNLAQYLU-CUWPLCDZSA-N 1 2 371.456 2.595 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)c2cnc(C)s2)[C@H]1C ZINC001088488574 979876390 /nfs/dbraw/zinc/87/63/90/979876390.db2.gz KCLRWXMNJIWXCX-WBMJQRKESA-N 1 2 370.478 2.725 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)c2cnc(C)s2)[C@H]1C ZINC001088488574 979876393 /nfs/dbraw/zinc/87/63/93/979876393.db2.gz KCLRWXMNJIWXCX-WBMJQRKESA-N 1 2 370.478 2.725 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2csc(CC)n2)[C@@H]1C ZINC001088576572 981267680 /nfs/dbraw/zinc/26/76/80/981267680.db2.gz XLLNDDYOFCDCLR-SIXLDLHFSA-N 1 2 363.527 2.766 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2csc(CC)n2)[C@@H]1C ZINC001088576572 981267682 /nfs/dbraw/zinc/26/76/82/981267682.db2.gz XLLNDDYOFCDCLR-SIXLDLHFSA-N 1 2 363.527 2.766 20 30 FFEDLO N#CCOc1cccc(CC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000760269918 981307500 /nfs/dbraw/zinc/30/75/00/981307500.db2.gz ZBHSCNVBFWGPQG-UHFFFAOYSA-N 1 2 360.417 2.693 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2c(F)cncc2F)CC[N@@H+]1Cc1ccccc1C#N ZINC001088596028 981376300 /nfs/dbraw/zinc/37/63/00/981376300.db2.gz DSAPCBRBFPKACR-PXAZEXFGSA-N 1 2 356.376 2.624 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2c(F)cncc2F)CC[N@H+]1Cc1ccccc1C#N ZINC001088596028 981376305 /nfs/dbraw/zinc/37/63/05/981376305.db2.gz DSAPCBRBFPKACR-PXAZEXFGSA-N 1 2 356.376 2.624 20 30 FFEDLO C=CCN1CC[C@]2(CCCN(C(=O)c3c[nH]c4cc[nH+]cc34)CC2)C1=O ZINC001272123294 981693295 /nfs/dbraw/zinc/69/32/95/981693295.db2.gz LSDCBUWXFZCNGD-HXUWFJFHSA-N 1 2 352.438 2.594 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1coc(C)n1 ZINC000969064105 1014782697 /nfs/dbraw/zinc/78/26/97/1014782697.db2.gz CHJFCWWNNUYZIZ-FHWLQOOXSA-N 1 2 361.486 2.825 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1coc(C)n1 ZINC000969064105 1014782705 /nfs/dbraw/zinc/78/27/05/1014782705.db2.gz CHJFCWWNNUYZIZ-FHWLQOOXSA-N 1 2 361.486 2.825 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000877957896 1014784790 /nfs/dbraw/zinc/78/47/90/1014784790.db2.gz GFFCUFBGQPVGIO-GOSISDBHSA-N 1 2 367.415 2.997 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000877957896 1014784798 /nfs/dbraw/zinc/78/47/98/1014784798.db2.gz GFFCUFBGQPVGIO-GOSISDBHSA-N 1 2 367.415 2.997 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001059958612 982092221 /nfs/dbraw/zinc/09/22/21/982092221.db2.gz ANXLGQBOKCBMQF-JQHSSLGASA-N 1 2 370.497 2.586 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC3(F)F)[C@@H]2C1 ZINC001075930788 982123492 /nfs/dbraw/zinc/12/34/92/982123492.db2.gz QHTZVIFAHPJCHH-RRQGHBQHSA-N 1 2 363.383 2.775 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC3(F)F)[C@@H]2C1 ZINC001075930788 982123495 /nfs/dbraw/zinc/12/34/95/982123495.db2.gz QHTZVIFAHPJCHH-RRQGHBQHSA-N 1 2 363.383 2.775 20 30 FFEDLO C=C(Br)CN1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001088663128 982239497 /nfs/dbraw/zinc/23/94/97/982239497.db2.gz SCDOLYTVWYRVCZ-YPMHNXCESA-N 1 2 363.259 2.664 20 30 FFEDLO CC(C)(C)OC(=O)Nc1ccc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)nn1 ZINC000897599749 982374417 /nfs/dbraw/zinc/37/44/17/982374417.db2.gz UOUUEYDDLMRJJM-UHFFFAOYSA-N 1 2 374.441 2.661 20 30 FFEDLO C=CCCC[C@H](NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000898014527 982591724 /nfs/dbraw/zinc/59/17/24/982591724.db2.gz DVMKIOAMOREGRM-ROUUACIJSA-N 1 2 366.465 2.528 20 30 FFEDLO C=CCNC(=O)Nc1ccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000651048361 1014958843 /nfs/dbraw/zinc/95/88/43/1014958843.db2.gz FIQCQXZNYGPSDI-UHFFFAOYSA-N 1 2 353.426 2.708 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nn1 ZINC000641102233 984330702 /nfs/dbraw/zinc/33/07/02/984330702.db2.gz CVTIUPACDKLVLG-OAHLLOKOSA-N 1 2 350.426 2.667 20 30 FFEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnc(C(C)(C)C)[nH]1)CC2 ZINC001107327345 984455910 /nfs/dbraw/zinc/45/59/10/984455910.db2.gz ZQEYHOOMLODVDI-FOIQADDNSA-N 1 2 359.518 2.929 20 30 FFEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)CC2 ZINC001107327345 984455913 /nfs/dbraw/zinc/45/59/13/984455913.db2.gz ZQEYHOOMLODVDI-FOIQADDNSA-N 1 2 359.518 2.929 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)c3ccc(F)cc3F)C[C@H]2O)C1 ZINC001077645683 984912789 /nfs/dbraw/zinc/91/27/89/984912789.db2.gz RVJRHPGFAOMMAT-FGTMMUONSA-N 1 2 364.436 2.934 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@@H](CC)c3ccc(F)cc3F)C[C@H]2O)C1 ZINC001077645683 984912793 /nfs/dbraw/zinc/91/27/93/984912793.db2.gz RVJRHPGFAOMMAT-FGTMMUONSA-N 1 2 364.436 2.934 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(F)c3F)[C@@H]2C)c1 ZINC001088846230 984976035 /nfs/dbraw/zinc/97/60/35/984976035.db2.gz BVPRJDLLRQNAGN-ACJLOTCBSA-N 1 2 355.388 2.734 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(F)c3F)[C@@H]2C)c1 ZINC001088846230 984976039 /nfs/dbraw/zinc/97/60/39/984976039.db2.gz BVPRJDLLRQNAGN-ACJLOTCBSA-N 1 2 355.388 2.734 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3)[C@@H]2C)c1 ZINC001088846571 984979045 /nfs/dbraw/zinc/97/90/45/984979045.db2.gz VNXNOXTZSNANJP-YJYMSZOUSA-N 1 2 355.388 2.734 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)[C@@H]2C)c1 ZINC001088846571 984979047 /nfs/dbraw/zinc/97/90/47/984979047.db2.gz VNXNOXTZSNANJP-YJYMSZOUSA-N 1 2 355.388 2.734 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc3ccccc3o2)C[C@H]1OC ZINC001212187275 985131397 /nfs/dbraw/zinc/13/13/97/985131397.db2.gz NZWYDWBOPDBSLU-QGPMSJSTSA-N 1 2 355.438 2.508 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc3ccccc3o2)C[C@H]1OC ZINC001212187275 985131399 /nfs/dbraw/zinc/13/13/99/985131399.db2.gz NZWYDWBOPDBSLU-QGPMSJSTSA-N 1 2 355.438 2.508 20 30 FFEDLO CC(C)n1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)n1 ZINC001088894417 985353879 /nfs/dbraw/zinc/35/38/79/985353879.db2.gz XYHBRNVKQFGRKO-QAPCUYQASA-N 1 2 351.454 2.728 20 30 FFEDLO CC(C)n1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)n1 ZINC001088894417 985353885 /nfs/dbraw/zinc/35/38/85/985353885.db2.gz XYHBRNVKQFGRKO-QAPCUYQASA-N 1 2 351.454 2.728 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)o1 ZINC001088937916 985535754 /nfs/dbraw/zinc/53/57/54/985535754.db2.gz LLNLMUWMYDBAEK-WBMJQRKESA-N 1 2 357.385 2.692 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)o1 ZINC001088937916 985535756 /nfs/dbraw/zinc/53/57/56/985535756.db2.gz LLNLMUWMYDBAEK-WBMJQRKESA-N 1 2 357.385 2.692 20 30 FFEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@]23C[C@H]2CCC3)cc1C#N ZINC001032530432 985658980 /nfs/dbraw/zinc/65/89/80/985658980.db2.gz NUGIQCNTSOJRID-OEMYIYORSA-N 1 2 351.450 2.542 20 30 FFEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@]23C[C@H]2CCC3)cc1C#N ZINC001032530432 985658986 /nfs/dbraw/zinc/65/89/86/985658986.db2.gz NUGIQCNTSOJRID-OEMYIYORSA-N 1 2 351.450 2.542 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)c(C)s3)[C@@H]2C)cn1 ZINC001088990651 985786872 /nfs/dbraw/zinc/78/68/72/985786872.db2.gz IXSUFQSBIYTRPK-DYVFJYSZSA-N 1 2 354.479 2.529 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)c(C)s3)[C@@H]2C)cn1 ZINC001088990651 985786880 /nfs/dbraw/zinc/78/68/80/985786880.db2.gz IXSUFQSBIYTRPK-DYVFJYSZSA-N 1 2 354.479 2.529 20 30 FFEDLO CC(=O)[C@](C#N)(CC[NH+]1CCN(c2cccc(F)n2)CC1)c1ccccc1 ZINC000878678299 1015163425 /nfs/dbraw/zinc/16/34/25/1015163425.db2.gz HUPBAEHMCGUMAL-OAQYLSRUSA-N 1 2 366.440 2.783 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccc(N(C)C)cc2)[C@H]1C ZINC001089003117 985873398 /nfs/dbraw/zinc/87/33/98/985873398.db2.gz YLUAMWNGJJLREE-CJNGLKHVSA-N 1 2 366.303 2.854 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N(C)C)cc2)[C@H]1C ZINC001089003117 985873408 /nfs/dbraw/zinc/87/34/08/985873408.db2.gz YLUAMWNGJJLREE-CJNGLKHVSA-N 1 2 366.303 2.854 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001007357512 1015192387 /nfs/dbraw/zinc/19/23/87/1015192387.db2.gz QBIFKNWBFGICDS-WDYCEAGBSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001007357512 1015192391 /nfs/dbraw/zinc/19/23/91/1015192391.db2.gz QBIFKNWBFGICDS-WDYCEAGBSA-N 1 2 359.470 2.614 20 30 FFEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[C@H]2c2cccnc2)c1 ZINC001032642593 986299056 /nfs/dbraw/zinc/29/90/56/986299056.db2.gz SSTCETOXLNHVGU-XSDIEEQYSA-N 1 2 358.445 2.542 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[C@H]2c2cccnc2)c1 ZINC001032642593 986299068 /nfs/dbraw/zinc/29/90/68/986299068.db2.gz SSTCETOXLNHVGU-XSDIEEQYSA-N 1 2 358.445 2.542 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1cc(C)on1 ZINC001089180979 986511531 /nfs/dbraw/zinc/51/15/31/986511531.db2.gz CYEJHWCLPXXEAW-OTWHNJEPSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1cc(C)on1 ZINC001089180979 986511537 /nfs/dbraw/zinc/51/15/37/986511537.db2.gz CYEJHWCLPXXEAW-OTWHNJEPSA-N 1 2 361.486 2.777 20 30 FFEDLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@@H]1COC(=O)CCc1ccc(C#N)cc1 ZINC000765948941 987277524 /nfs/dbraw/zinc/27/75/24/987277524.db2.gz IPPYYNGBRUTAOG-GOSISDBHSA-N 1 2 372.465 2.840 20 30 FFEDLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@@H]1COC(=O)CCc1ccc(C#N)cc1 ZINC000765948941 987277531 /nfs/dbraw/zinc/27/75/31/987277531.db2.gz IPPYYNGBRUTAOG-GOSISDBHSA-N 1 2 372.465 2.840 20 30 FFEDLO C=CCC1(O)CCN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000888425928 987900261 /nfs/dbraw/zinc/90/02/61/987900261.db2.gz FGINQTKUNPCDAA-SFHVURJKSA-N 1 2 368.481 2.817 20 30 FFEDLO C#CCC1(NC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CCOCC1 ZINC000888426193 987911129 /nfs/dbraw/zinc/91/11/29/987911129.db2.gz NTKKISAQVUWKHR-SFHVURJKSA-N 1 2 366.465 2.576 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001061467082 988787587 /nfs/dbraw/zinc/78/75/87/988787587.db2.gz WXNIECFMAHHTOT-AOIWGVFYSA-N 1 2 370.497 2.729 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000193876766 989091758 /nfs/dbraw/zinc/09/17/58/989091758.db2.gz FOXUXKCVMXKLOF-IBGZPJMESA-N 1 2 365.424 2.862 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ncc(CC)o2)C1 ZINC001034441326 990084590 /nfs/dbraw/zinc/08/45/90/990084590.db2.gz FTNYASZNOTUTCL-AYBZRNKSSA-N 1 2 361.486 2.689 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ncc(CC)o2)C1 ZINC001034441326 990084597 /nfs/dbraw/zinc/08/45/97/990084597.db2.gz FTNYASZNOTUTCL-AYBZRNKSSA-N 1 2 361.486 2.689 20 30 FFEDLO C#CCNC(=O)c1cccc(-c2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)c1 ZINC000923863630 990243420 /nfs/dbraw/zinc/24/34/20/990243420.db2.gz HDUXJKTVYPCYCO-KRWDZBQOSA-N 1 2 363.421 2.932 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2ncc(C)o2)cc1 ZINC001034818986 990282551 /nfs/dbraw/zinc/28/25/51/990282551.db2.gz UHADXSVWMHSKNG-MOPGFXCFSA-N 1 2 369.465 2.870 20 30 FFEDLO CCN(CC)c1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1F ZINC000154775584 990452904 /nfs/dbraw/zinc/45/29/04/990452904.db2.gz WTCMRKQHSYFTAW-UHFFFAOYSA-N 1 2 362.493 2.720 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(CC)[nH+]c(C)n1 ZINC001062044898 990670240 /nfs/dbraw/zinc/67/02/40/990670240.db2.gz URXWKGJGPOKIGU-DMUMMCEESA-N 1 2 370.497 2.508 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2coc(C)n2)CC1 ZINC001006108550 991176179 /nfs/dbraw/zinc/17/61/79/991176179.db2.gz NMDLXSPVZQECKS-OALUTQOASA-N 1 2 361.486 2.777 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001064542453 991636090 /nfs/dbraw/zinc/63/60/90/991636090.db2.gz UINNFMMPDDUZBL-HCXYKTFWSA-N 1 2 370.497 2.563 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212337303 991725456 /nfs/dbraw/zinc/72/54/56/991725456.db2.gz HIUAXKQAQCTLMK-HUUCEWRRSA-N 1 2 367.902 2.714 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212337303 991725468 /nfs/dbraw/zinc/72/54/68/991725468.db2.gz HIUAXKQAQCTLMK-HUUCEWRRSA-N 1 2 367.902 2.714 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cc(CC)[nH+]c(C)n1 ZINC001065166494 991766609 /nfs/dbraw/zinc/76/66/09/991766609.db2.gz HWHNOEFZYGBOIK-HCXYKTFWSA-N 1 2 370.497 2.508 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]Cc2ncccn2)C1 ZINC001079306394 992007468 /nfs/dbraw/zinc/00/74/68/992007468.db2.gz PHLZMFRYCCAXAN-FUHWJXTLSA-N 1 2 368.456 2.912 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C[C@H]1CCCO1 ZINC001079449510 992098989 /nfs/dbraw/zinc/09/89/89/992098989.db2.gz RTRMRQLKPCREMK-SZVBFZGTSA-N 1 2 360.885 2.697 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C[C@H]1CCCO1 ZINC001079449510 992098996 /nfs/dbraw/zinc/09/89/96/992098996.db2.gz RTRMRQLKPCREMK-SZVBFZGTSA-N 1 2 360.885 2.697 20 30 FFEDLO Cc1ncsc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001079450334 992101036 /nfs/dbraw/zinc/10/10/36/992101036.db2.gz GTJRNAYZYXTUSI-CXAGYDPISA-N 1 2 357.454 2.692 20 30 FFEDLO Cc1ncsc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001079450334 992101041 /nfs/dbraw/zinc/10/10/41/992101041.db2.gz GTJRNAYZYXTUSI-CXAGYDPISA-N 1 2 357.454 2.692 20 30 FFEDLO COCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)CCC1 ZINC001110825697 1015688178 /nfs/dbraw/zinc/68/81/78/1015688178.db2.gz VDPZXGAJWPTFLY-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO COCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)CCC1 ZINC001110825697 1015688186 /nfs/dbraw/zinc/68/81/86/1015688186.db2.gz VDPZXGAJWPTFLY-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001079539901 992192290 /nfs/dbraw/zinc/19/22/90/992192290.db2.gz MYIBXTFUKHXPJZ-XJKCOSOUSA-N 1 2 369.469 2.983 20 30 FFEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001079539901 992192296 /nfs/dbraw/zinc/19/22/96/992192296.db2.gz MYIBXTFUKHXPJZ-XJKCOSOUSA-N 1 2 369.469 2.983 20 30 FFEDLO Cc1ccc(CC(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)o1 ZINC001079592709 992247263 /nfs/dbraw/zinc/24/72/63/992247263.db2.gz UOBHYGXMQINNFM-BFUOFWGJSA-N 1 2 355.413 2.778 20 30 FFEDLO Cc1ccc(CC(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)o1 ZINC001079592709 992247274 /nfs/dbraw/zinc/24/72/74/992247274.db2.gz UOBHYGXMQINNFM-BFUOFWGJSA-N 1 2 355.413 2.778 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ncc(C)o2)CC1(C)C ZINC000941093347 992293109 /nfs/dbraw/zinc/29/31/09/992293109.db2.gz NCFBZNXMKDVAIE-JZXOWHBKSA-N 1 2 361.486 2.681 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ncc(C)o2)CC1(C)C ZINC000941093347 992293120 /nfs/dbraw/zinc/29/31/20/992293120.db2.gz NCFBZNXMKDVAIE-JZXOWHBKSA-N 1 2 361.486 2.681 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2csc([C@@H]3CCCO3)n2)C1 ZINC001079698255 992336658 /nfs/dbraw/zinc/33/66/58/992336658.db2.gz RPWQACNYQROMMQ-QKCSRTOESA-N 1 2 355.891 2.797 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2csc([C@@H]3CCCO3)n2)C1 ZINC001079698255 992336665 /nfs/dbraw/zinc/33/66/65/992336665.db2.gz RPWQACNYQROMMQ-QKCSRTOESA-N 1 2 355.891 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001079721250 992359589 /nfs/dbraw/zinc/35/95/89/992359589.db2.gz VLXZCUODFFUAQC-DZUCGIPZSA-N 1 2 363.527 2.623 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001079721250 992359601 /nfs/dbraw/zinc/35/96/01/992359601.db2.gz VLXZCUODFFUAQC-DZUCGIPZSA-N 1 2 363.527 2.623 20 30 FFEDLO COC1CC(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]2C)C1 ZINC001079920909 992571574 /nfs/dbraw/zinc/57/15/74/992571574.db2.gz YCTIPRZNXDHILL-FOSZKXBFSA-N 1 2 360.885 2.553 20 30 FFEDLO COC1CC(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]2C)C1 ZINC001079920909 992571583 /nfs/dbraw/zinc/57/15/83/992571583.db2.gz YCTIPRZNXDHILL-FOSZKXBFSA-N 1 2 360.885 2.553 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cncc3[nH]ccc32)C1 ZINC001080043454 992692578 /nfs/dbraw/zinc/69/25/78/992692578.db2.gz DOSJOGOTHPNSRO-MEBBXXQBSA-N 1 2 363.259 2.522 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cncc3[nH]ccc32)C1 ZINC001080043454 992692581 /nfs/dbraw/zinc/69/25/81/992692581.db2.gz DOSJOGOTHPNSRO-MEBBXXQBSA-N 1 2 363.259 2.522 20 30 FFEDLO CC(C)c1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)no1 ZINC001080208757 992826555 /nfs/dbraw/zinc/82/65/55/992826555.db2.gz VTOXQKYBDSFNQE-RDTXWAMCSA-N 1 2 352.438 2.920 20 30 FFEDLO CC(C)c1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)no1 ZINC001080208757 992826559 /nfs/dbraw/zinc/82/65/59/992826559.db2.gz VTOXQKYBDSFNQE-RDTXWAMCSA-N 1 2 352.438 2.920 20 30 FFEDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[C@H](C(F)(F)F)O1 ZINC000880060382 1015744619 /nfs/dbraw/zinc/74/46/19/1015744619.db2.gz UUGZCVAOGGNWPK-DAXOMENPSA-N 1 2 367.371 2.705 20 30 FFEDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[C@H](C(F)(F)F)O1 ZINC000880060382 1015744626 /nfs/dbraw/zinc/74/46/26/1015744626.db2.gz UUGZCVAOGGNWPK-DAXOMENPSA-N 1 2 367.371 2.705 20 30 FFEDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[C@H](C(F)(F)F)O1 ZINC000880060387 1015744095 /nfs/dbraw/zinc/74/40/95/1015744095.db2.gz UUGZCVAOGGNWPK-UHOFOFEASA-N 1 2 367.371 2.705 20 30 FFEDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[C@H](C(F)(F)F)O1 ZINC000880060387 1015744102 /nfs/dbraw/zinc/74/41/02/1015744102.db2.gz UUGZCVAOGGNWPK-UHOFOFEASA-N 1 2 367.371 2.705 20 30 FFEDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[C@@H](C(F)(F)F)O1 ZINC000880060385 1015744954 /nfs/dbraw/zinc/74/49/54/1015744954.db2.gz UUGZCVAOGGNWPK-KCXAZCMYSA-N 1 2 367.371 2.705 20 30 FFEDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[C@@H](C(F)(F)F)O1 ZINC000880060385 1015744959 /nfs/dbraw/zinc/74/49/59/1015744959.db2.gz UUGZCVAOGGNWPK-KCXAZCMYSA-N 1 2 367.371 2.705 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)cc2C)C1 ZINC001080372199 993015057 /nfs/dbraw/zinc/01/50/57/993015057.db2.gz LJYOUFMHVRBLPY-MLGOLLRUSA-N 1 2 367.287 2.962 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)cc2C)C1 ZINC001080372199 993015063 /nfs/dbraw/zinc/01/50/63/993015063.db2.gz LJYOUFMHVRBLPY-MLGOLLRUSA-N 1 2 367.287 2.962 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3F)C[C@H]2C)c1 ZINC001080408842 993037399 /nfs/dbraw/zinc/03/73/99/993037399.db2.gz QCWVIHKXQKMUKF-BFUOFWGJSA-N 1 2 355.388 2.591 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3F)C[C@H]2C)c1 ZINC001080408842 993037406 /nfs/dbraw/zinc/03/74/06/993037406.db2.gz QCWVIHKXQKMUKF-BFUOFWGJSA-N 1 2 355.388 2.591 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)c1nccs1 ZINC001080659600 993254205 /nfs/dbraw/zinc/25/42/05/993254205.db2.gz SDZLAYARZVMDEL-CZUORRHYSA-N 1 2 359.882 2.898 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)c1nccs1 ZINC001080659600 993254212 /nfs/dbraw/zinc/25/42/12/993254212.db2.gz SDZLAYARZVMDEL-CZUORRHYSA-N 1 2 359.882 2.898 20 30 FFEDLO CCCc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)no1 ZINC001080703811 993295559 /nfs/dbraw/zinc/29/55/59/993295559.db2.gz UITZOCOUCNLDRZ-BFUOFWGJSA-N 1 2 370.428 2.888 20 30 FFEDLO CCCc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)no1 ZINC001080703811 993295561 /nfs/dbraw/zinc/29/55/61/993295561.db2.gz UITZOCOUCNLDRZ-BFUOFWGJSA-N 1 2 370.428 2.888 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ncoc1C1CC1 ZINC001080723453 993331394 /nfs/dbraw/zinc/33/13/94/993331394.db2.gz BMDNDSJDZGLMTC-CXAGYDPISA-N 1 2 350.422 2.674 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ncoc1C1CC1 ZINC001080723453 993331400 /nfs/dbraw/zinc/33/14/00/993331400.db2.gz BMDNDSJDZGLMTC-CXAGYDPISA-N 1 2 350.422 2.674 20 30 FFEDLO Cc1ccc(CC(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)cn1 ZINC001080945539 993498562 /nfs/dbraw/zinc/49/85/62/993498562.db2.gz IWLFCXXLMCJUBM-JLTOFOAXSA-N 1 2 366.440 2.580 20 30 FFEDLO Cc1ccc(CC(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)cn1 ZINC001080945539 993498565 /nfs/dbraw/zinc/49/85/65/993498565.db2.gz IWLFCXXLMCJUBM-JLTOFOAXSA-N 1 2 366.440 2.580 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)CC1CCCC1 ZINC001081306256 993794527 /nfs/dbraw/zinc/79/45/27/993794527.db2.gz CNGQFSNGLUDANH-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)CC1CCCC1 ZINC001081306256 993794538 /nfs/dbraw/zinc/79/45/38/993794538.db2.gz CNGQFSNGLUDANH-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1=CCCCCC1 ZINC001081591227 993900760 /nfs/dbraw/zinc/90/07/60/993900760.db2.gz JCTPRBGHPLRRDW-WOJBJXKFSA-N 1 2 353.466 2.764 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1=CCCCCC1 ZINC001081591227 993900770 /nfs/dbraw/zinc/90/07/70/993900770.db2.gz JCTPRBGHPLRRDW-WOJBJXKFSA-N 1 2 353.466 2.764 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C(C)=C1CCC1 ZINC001081648910 993911720 /nfs/dbraw/zinc/91/17/20/993911720.db2.gz VYJLJUUUHMBYSN-RTBURBONSA-N 1 2 357.429 2.513 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C(C)=C1CCC1 ZINC001081648910 993911724 /nfs/dbraw/zinc/91/17/24/993911724.db2.gz VYJLJUUUHMBYSN-RTBURBONSA-N 1 2 357.429 2.513 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@]1(C)CC=CCC1 ZINC001081729740 993939262 /nfs/dbraw/zinc/93/92/62/993939262.db2.gz ANITYOWOFJBTEH-SFHLNBCPSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@]1(C)CC=CCC1 ZINC001081729740 993939274 /nfs/dbraw/zinc/93/92/74/993939274.db2.gz ANITYOWOFJBTEH-SFHLNBCPSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1CCCC12CC2 ZINC001081850678 994021109 /nfs/dbraw/zinc/02/11/09/994021109.db2.gz PORRMHDRGIDEOZ-BHIYHBOVSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1CCCC12CC2 ZINC001081850678 994021116 /nfs/dbraw/zinc/02/11/16/994021116.db2.gz PORRMHDRGIDEOZ-BHIYHBOVSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)[C@]12C[C@H]1CCC2 ZINC001081963168 994072042 /nfs/dbraw/zinc/07/20/42/994072042.db2.gz KONYPZFLWBPMPZ-XLBJILASSA-N 1 2 372.896 2.697 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)[C@]12C[C@H]1CCC2 ZINC001081963168 994072054 /nfs/dbraw/zinc/07/20/54/994072054.db2.gz KONYPZFLWBPMPZ-XLBJILASSA-N 1 2 372.896 2.697 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001082144690 994206364 /nfs/dbraw/zinc/20/63/64/994206364.db2.gz CFQFISWGJHWBEN-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001082144690 994206376 /nfs/dbraw/zinc/20/63/76/994206376.db2.gz CFQFISWGJHWBEN-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000880481495 1015847436 /nfs/dbraw/zinc/84/74/36/1015847436.db2.gz VHTNBTKMROGZDW-INIZCTEOSA-N 1 2 371.506 2.870 20 30 FFEDLO N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c1)C2 ZINC001132858046 995164824 /nfs/dbraw/zinc/16/48/24/995164824.db2.gz QGOPKSRZAJTMNU-KRWDZBQOSA-N 1 2 373.372 2.549 20 30 FFEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]NC[C@@H]1CCSC1 ZINC000811658663 995206243 /nfs/dbraw/zinc/20/62/43/995206243.db2.gz MUADXMXVZPJOMX-ZDUSSCGKSA-N 1 2 365.462 2.638 20 30 FFEDLO COc1cc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1C#N ZINC000811865931 995273691 /nfs/dbraw/zinc/27/36/91/995273691.db2.gz BFQMWZXYBDSAEH-UHFFFAOYSA-N 1 2 361.405 2.752 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(OCC)s3)C2)CC1 ZINC001082722147 995354460 /nfs/dbraw/zinc/35/44/60/995354460.db2.gz ADPQKVRVYAFOGC-UKRRQHHQSA-N 1 2 364.515 2.620 20 30 FFEDLO C#CCNC(=O)C1CC[NH+]([C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 ZINC000747820467 995536848 /nfs/dbraw/zinc/53/68/48/995536848.db2.gz XZJNSSUNZJOGIM-GFCCVEGCSA-N 1 2 372.494 2.536 20 30 FFEDLO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC001083075195 996028778 /nfs/dbraw/zinc/02/87/78/996028778.db2.gz JBHGNXRSZDJPCZ-ZOCIIQOWSA-N 1 2 358.869 2.726 20 30 FFEDLO C[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC001083075195 996028779 /nfs/dbraw/zinc/02/87/79/996028779.db2.gz JBHGNXRSZDJPCZ-ZOCIIQOWSA-N 1 2 358.869 2.726 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cscn4)[C@@H]3C2)cc1F ZINC001084228089 996376964 /nfs/dbraw/zinc/37/69/64/996376964.db2.gz YGCWTIZUJNFJOZ-RHSMWYFYSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cscn4)[C@@H]3C2)cc1F ZINC001084228089 996376966 /nfs/dbraw/zinc/37/69/66/996376966.db2.gz YGCWTIZUJNFJOZ-RHSMWYFYSA-N 1 2 356.426 2.500 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cc(C)c(Cl)cn3)[C@@H]2C1 ZINC001084448016 996558140 /nfs/dbraw/zinc/55/81/40/996558140.db2.gz GQQIVISROCCZDW-CZUORRHYSA-N 1 2 354.281 2.871 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cc(C)c(Cl)cn3)[C@@H]2C1 ZINC001084448016 996558144 /nfs/dbraw/zinc/55/81/44/996558144.db2.gz GQQIVISROCCZDW-CZUORRHYSA-N 1 2 354.281 2.871 20 30 FFEDLO Cc1cc(C)nc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)c1 ZINC001084472895 996583460 /nfs/dbraw/zinc/58/34/60/996583460.db2.gz ZKLWMTGKIVTSTC-TZIWHRDSSA-N 1 2 360.461 2.917 20 30 FFEDLO Cc1cc(C)nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)c1 ZINC001084472895 996583465 /nfs/dbraw/zinc/58/34/65/996583465.db2.gz ZKLWMTGKIVTSTC-TZIWHRDSSA-N 1 2 360.461 2.917 20 30 FFEDLO O=C(c1ccsn1)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084439108 996591098 /nfs/dbraw/zinc/59/10/98/996591098.db2.gz WKWBCQIDGFOYJA-CRAIPNDOSA-N 1 2 371.893 2.995 20 30 FFEDLO O=C(c1ccsn1)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084439108 996591104 /nfs/dbraw/zinc/59/11/04/996591104.db2.gz WKWBCQIDGFOYJA-CRAIPNDOSA-N 1 2 371.893 2.995 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccsn4)[C@@H]3C2)c1 ZINC001084439454 996591337 /nfs/dbraw/zinc/59/13/37/996591337.db2.gz HHXYYXATGFQNRW-CXAGYDPISA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccsn4)[C@@H]3C2)c1 ZINC001084439454 996591342 /nfs/dbraw/zinc/59/13/42/996591342.db2.gz HHXYYXATGFQNRW-CXAGYDPISA-N 1 2 356.426 2.500 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COc4ccc(F)cc4C3)[C@@H]2C1 ZINC001084518069 996639098 /nfs/dbraw/zinc/63/90/98/996639098.db2.gz KHIUAMIQQVYDCF-UKPHBRMFSA-N 1 2 364.848 2.662 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COc4ccc(F)cc4C3)[C@@H]2C1 ZINC001084518069 996639102 /nfs/dbraw/zinc/63/91/02/996639102.db2.gz KHIUAMIQQVYDCF-UKPHBRMFSA-N 1 2 364.848 2.662 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21)C(F)(F)F ZINC001084581670 996695476 /nfs/dbraw/zinc/69/54/76/996695476.db2.gz RDAPGBWMNVZDIM-NORZTCDRSA-N 1 2 369.362 2.928 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21)C(F)(F)F ZINC001084581670 996695480 /nfs/dbraw/zinc/69/54/80/996695480.db2.gz RDAPGBWMNVZDIM-NORZTCDRSA-N 1 2 369.362 2.928 20 30 FFEDLO Cc1cocc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084583943 996697343 /nfs/dbraw/zinc/69/73/43/996697343.db2.gz CJDGQXRPNNLMCO-DNVCBOLYSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1cocc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084583943 996697347 /nfs/dbraw/zinc/69/73/47/996697347.db2.gz CJDGQXRPNNLMCO-DNVCBOLYSA-N 1 2 353.397 2.945 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccco3)[C@@H]2C1 ZINC001084676276 996818862 /nfs/dbraw/zinc/81/88/62/996818862.db2.gz CSXPYZKAJMWKMG-UAFMIMERSA-N 1 2 361.445 2.988 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccco3)[C@@H]2C1 ZINC001084676276 996818876 /nfs/dbraw/zinc/81/88/76/996818876.db2.gz CSXPYZKAJMWKMG-UAFMIMERSA-N 1 2 361.445 2.988 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(F)c3F)C[C@H]21 ZINC001084672827 996823628 /nfs/dbraw/zinc/82/36/28/996823628.db2.gz PGYMYZNZGJWBOF-UWIFEVILSA-N 1 2 362.420 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(F)c3F)C[C@H]21 ZINC001084672827 996823638 /nfs/dbraw/zinc/82/36/38/996823638.db2.gz PGYMYZNZGJWBOF-UWIFEVILSA-N 1 2 362.420 2.589 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)CC1 ZINC001136862777 996904165 /nfs/dbraw/zinc/90/41/65/996904165.db2.gz AMOLBEJXTTVARL-UHFFFAOYSA-N 1 2 361.417 2.869 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)CC1 ZINC001136862777 996904181 /nfs/dbraw/zinc/90/41/81/996904181.db2.gz AMOLBEJXTTVARL-UHFFFAOYSA-N 1 2 361.417 2.869 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3coc(C4CC4)n3)[C@@H]2C1 ZINC001084705704 997012022 /nfs/dbraw/zinc/01/20/22/997012022.db2.gz LFWFBOSDGACFFF-IEBWSBKVSA-N 1 2 362.433 2.770 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3coc(C4CC4)n3)[C@@H]2C1 ZINC001084705704 997012033 /nfs/dbraw/zinc/01/20/33/997012033.db2.gz LFWFBOSDGACFFF-IEBWSBKVSA-N 1 2 362.433 2.770 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)c(C)o3)C[C@H]21 ZINC001084710948 997022719 /nfs/dbraw/zinc/02/27/19/997022719.db2.gz ILGPXALZFFKWMQ-RMJJICAUSA-N 1 2 373.497 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)c(C)o3)C[C@H]21 ZINC001084710948 997022736 /nfs/dbraw/zinc/02/27/36/997022736.db2.gz ILGPXALZFFKWMQ-RMJJICAUSA-N 1 2 373.497 2.695 20 30 FFEDLO C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21)c1cccnc1 ZINC001084781877 997309359 /nfs/dbraw/zinc/30/93/59/997309359.db2.gz UGQOGRWVFSGDKZ-ZLGUVYLKSA-N 1 2 360.461 2.790 20 30 FFEDLO C[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21)c1cccnc1 ZINC001084781877 997309367 /nfs/dbraw/zinc/30/93/67/997309367.db2.gz UGQOGRWVFSGDKZ-ZLGUVYLKSA-N 1 2 360.461 2.790 20 30 FFEDLO N#Cc1oc2ccccc2c1NC(=O)[C@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001143659560 997493161 /nfs/dbraw/zinc/49/31/61/997493161.db2.gz YFKGWHPFNOMUFI-OXJNMPFZSA-N 1 2 361.401 2.878 20 30 FFEDLO N#Cc1oc2ccccc2c1NC(=O)[C@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1 ZINC001143659560 997493168 /nfs/dbraw/zinc/49/31/68/997493168.db2.gz YFKGWHPFNOMUFI-OXJNMPFZSA-N 1 2 361.401 2.878 20 30 FFEDLO Cc1ccc(S(=O)(=O)CCC[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1 ZINC000844365136 997834950 /nfs/dbraw/zinc/83/49/50/997834950.db2.gz BEEWQCWJBDEXCL-FQEVSTJZSA-N 1 2 372.490 2.696 20 30 FFEDLO Cc1ccc(S(=O)(=O)CCC[N@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1 ZINC000844365136 997834960 /nfs/dbraw/zinc/83/49/60/997834960.db2.gz BEEWQCWJBDEXCL-FQEVSTJZSA-N 1 2 372.490 2.696 20 30 FFEDLO C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844367315 997839230 /nfs/dbraw/zinc/83/92/30/997839230.db2.gz SXDWVNWLKZXQAY-IIBYNOLFSA-N 1 2 363.461 2.891 20 30 FFEDLO C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844367315 997839238 /nfs/dbraw/zinc/83/92/38/997839238.db2.gz SXDWVNWLKZXQAY-IIBYNOLFSA-N 1 2 363.461 2.891 20 30 FFEDLO C[N@@H+](CC(=O)N1CCSc2ccccc21)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366984 997842240 /nfs/dbraw/zinc/84/22/40/997842240.db2.gz LGDOEWFMTOGFQZ-GOSISDBHSA-N 1 2 367.474 2.662 20 30 FFEDLO C[N@H+](CC(=O)N1CCSc2ccccc21)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366984 997842251 /nfs/dbraw/zinc/84/22/51/997842251.db2.gz LGDOEWFMTOGFQZ-GOSISDBHSA-N 1 2 367.474 2.662 20 30 FFEDLO CC[C@@H](OC)C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001084902566 997965901 /nfs/dbraw/zinc/96/59/01/997965901.db2.gz HNKAKPYCNAKNBP-MDASCCDHSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H](OC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001084902566 997965915 /nfs/dbraw/zinc/96/59/15/997965915.db2.gz HNKAKPYCNAKNBP-MDASCCDHSA-N 1 2 359.445 2.545 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H](C)[C@H](Nc3[nH+]cnc4c3cnn4C)C2)CCCC1 ZINC001090983976 998012800 /nfs/dbraw/zinc/01/28/00/998012800.db2.gz GUVGVDGNBOPETO-GDBMZVCRSA-N 1 2 368.485 2.759 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3coc(CC)n3)C[C@@H]21 ZINC001084924485 998111842 /nfs/dbraw/zinc/11/18/42/998111842.db2.gz MGMFIVQXSLIUGF-OCCSQVGLSA-N 1 2 368.275 2.682 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3coc(CC)n3)C[C@@H]21 ZINC001084924485 998111849 /nfs/dbraw/zinc/11/18/49/998111849.db2.gz MGMFIVQXSLIUGF-OCCSQVGLSA-N 1 2 368.275 2.682 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cn4cc(C)nc4s3)C[C@@H]21 ZINC001084957800 998354229 /nfs/dbraw/zinc/35/42/29/998354229.db2.gz XTUMLIHOAQTORQ-KGLIPLIRSA-N 1 2 364.902 2.993 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn4cc(C)nc4s3)C[C@@H]21 ZINC001084957800 998354241 /nfs/dbraw/zinc/35/42/41/998354241.db2.gz XTUMLIHOAQTORQ-KGLIPLIRSA-N 1 2 364.902 2.993 20 30 FFEDLO C=CCCC1(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC001066278955 999579668 /nfs/dbraw/zinc/57/96/68/999579668.db2.gz RSWQWMGDNFAOSA-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCCC1(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC001066278955 999579671 /nfs/dbraw/zinc/57/96/71/999579671.db2.gz RSWQWMGDNFAOSA-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001085600423 999586730 /nfs/dbraw/zinc/58/67/30/999586730.db2.gz SMSIJZCKABNVQK-ZCNNSNEGSA-N 1 2 353.466 2.572 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001085600423 999586732 /nfs/dbraw/zinc/58/67/32/999586732.db2.gz SMSIJZCKABNVQK-ZCNNSNEGSA-N 1 2 353.466 2.572 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)[C@]23C[C@H]2CCC3)cc1C#N ZINC001085735303 999620497 /nfs/dbraw/zinc/62/04/97/999620497.db2.gz DERFYUUVGQLIKX-DBXWQHBBSA-N 1 2 353.466 2.790 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]2CN(C)C(=O)[C@]23C[C@H]2CCC3)cc1C#N ZINC001085735303 999620501 /nfs/dbraw/zinc/62/05/01/999620501.db2.gz DERFYUUVGQLIKX-DBXWQHBBSA-N 1 2 353.466 2.790 20 30 FFEDLO Fc1ccc(N[NH+]=Cc2c(N3CCOCC3)nc3ccccn32)c(F)c1 ZINC000741810935 999743879 /nfs/dbraw/zinc/74/38/79/999743879.db2.gz NSDDYMNKSBANSE-UHFFFAOYSA-N 1 2 357.364 2.895 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccccc1CN(C)c1cc[nH+]c(C)n1 ZINC001066409967 999778599 /nfs/dbraw/zinc/77/85/99/999778599.db2.gz MJGLNMGLQOBIQZ-MOPGFXCFSA-N 1 2 366.465 2.629 20 30 FFEDLO C[C@]1(CNC(=O)[C@@H]2C[C@H]2C2CCC2)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108269751 999877285 /nfs/dbraw/zinc/87/72/85/999877285.db2.gz OTIGWXMBXMYQKP-VWPQPMDRSA-N 1 2 367.493 2.702 20 30 FFEDLO C[C@]1(CNC(=O)[C@@H]2C[C@H]2C2CCC2)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108269751 999877286 /nfs/dbraw/zinc/87/72/86/999877286.db2.gz OTIGWXMBXMYQKP-VWPQPMDRSA-N 1 2 367.493 2.702 20 30 FFEDLO COc1cc(C)c(C[N@H+](C)Cn2cc3c(c(C#N)c2=O)CCC3)cc1OC ZINC000766612318 1000027783 /nfs/dbraw/zinc/02/77/83/1000027783.db2.gz VDCJUXBABUWFKC-UHFFFAOYSA-N 1 2 367.449 2.624 20 30 FFEDLO COc1cc(C)c(C[N@@H+](C)Cn2cc3c(c(C#N)c2=O)CCC3)cc1OC ZINC000766612318 1000027785 /nfs/dbraw/zinc/02/77/85/1000027785.db2.gz VDCJUXBABUWFKC-UHFFFAOYSA-N 1 2 367.449 2.624 20 30 FFEDLO CCOC(=O)[C@H]1CC[C@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)CO1 ZINC001169319138 1000038330 /nfs/dbraw/zinc/03/83/30/1000038330.db2.gz DRGUPOAKPDYUCP-JGVFFNPUSA-N 1 2 355.250 2.520 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)cc1 ZINC000804327992 1000051215 /nfs/dbraw/zinc/05/12/15/1000051215.db2.gz ZXAVZWCXEJXUPL-UHFFFAOYSA-N 1 2 367.365 2.697 20 30 FFEDLO CSc1nc(C[N@@H+]2CCC[C@@]23CCN(CC(C)C)C3=O)ccc1C#N ZINC001276131911 1016385856 /nfs/dbraw/zinc/38/58/56/1016385856.db2.gz YQRIEWCTOHAXND-IBGZPJMESA-N 1 2 358.511 2.898 20 30 FFEDLO CSc1nc(C[N@H+]2CCC[C@@]23CCN(CC(C)C)C3=O)ccc1C#N ZINC001276131911 1016385866 /nfs/dbraw/zinc/38/58/66/1016385866.db2.gz YQRIEWCTOHAXND-IBGZPJMESA-N 1 2 358.511 2.898 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1Cl ZINC001109072846 1000161737 /nfs/dbraw/zinc/16/17/37/1000161737.db2.gz REDUUJNXHBDSIA-PVAVHDDUSA-N 1 2 352.837 2.903 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1Cl ZINC001109072846 1000161739 /nfs/dbraw/zinc/16/17/39/1000161739.db2.gz REDUUJNXHBDSIA-PVAVHDDUSA-N 1 2 352.837 2.903 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(-c2ccccc2)n1 ZINC001109209832 1000187190 /nfs/dbraw/zinc/18/71/90/1000187190.db2.gz VVBXYNBKZPGMFC-HKBOAZHASA-N 1 2 362.477 2.897 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(-c2ccccc2)n1 ZINC001109209832 1000187192 /nfs/dbraw/zinc/18/71/92/1000187192.db2.gz VVBXYNBKZPGMFC-HKBOAZHASA-N 1 2 362.477 2.897 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F)C1CC1 ZINC001109294068 1000239484 /nfs/dbraw/zinc/23/94/84/1000239484.db2.gz MLAHFPFLWMUHQE-GTAWCEEGSA-N 1 2 371.456 2.734 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F)C1CC1 ZINC001109294068 1000239488 /nfs/dbraw/zinc/23/94/88/1000239488.db2.gz MLAHFPFLWMUHQE-GTAWCEEGSA-N 1 2 371.456 2.734 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C)(C)CC ZINC001109335680 1000285820 /nfs/dbraw/zinc/28/58/20/1000285820.db2.gz ZILWBQBMOIQXIP-ILXRZTDVSA-N 1 2 369.937 2.791 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C)(C)CC ZINC001109335680 1000285824 /nfs/dbraw/zinc/28/58/24/1000285824.db2.gz ZILWBQBMOIQXIP-ILXRZTDVSA-N 1 2 369.937 2.791 20 30 FFEDLO C[C@@H](Cc1ccccn1)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000846755617 1000421279 /nfs/dbraw/zinc/42/12/79/1000421279.db2.gz CNKYCSCSSDRIPU-AWEZNQCLSA-N 1 2 361.449 2.672 20 30 FFEDLO C=CCCn1cc(C[N@H+](C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nn1 ZINC000846833102 1000441691 /nfs/dbraw/zinc/44/16/91/1000441691.db2.gz WNQHKPXHIBUWJF-QGZVFWFLSA-N 1 2 361.490 2.828 20 30 FFEDLO C=CCCn1cc(C[N@@H+](C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nn1 ZINC000846833102 1000441695 /nfs/dbraw/zinc/44/16/95/1000441695.db2.gz WNQHKPXHIBUWJF-QGZVFWFLSA-N 1 2 361.490 2.828 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000846933781 1000482349 /nfs/dbraw/zinc/48/23/49/1000482349.db2.gz XHJXTXQPVDXAEG-ROUUACIJSA-N 1 2 352.438 2.631 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000846933781 1000482352 /nfs/dbraw/zinc/48/23/52/1000482352.db2.gz XHJXTXQPVDXAEG-ROUUACIJSA-N 1 2 352.438 2.631 20 30 FFEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCC2CCOCC2)cc1 ZINC000769842642 1000619895 /nfs/dbraw/zinc/61/98/95/1000619895.db2.gz OBYPQCAOYIUNBC-UHFFFAOYSA-N 1 2 363.458 2.775 20 30 FFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 ZINC000769977539 1000646036 /nfs/dbraw/zinc/64/60/36/1000646036.db2.gz JNYQZQYPTUXVNT-QGZVFWFLSA-N 1 2 363.461 2.817 20 30 FFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 ZINC000769977539 1000646039 /nfs/dbraw/zinc/64/60/39/1000646039.db2.gz JNYQZQYPTUXVNT-QGZVFWFLSA-N 1 2 363.461 2.817 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)Nc1ccccc1 ZINC001109624841 1000731199 /nfs/dbraw/zinc/73/11/99/1000731199.db2.gz FNZXTEJPGGRGOY-RNQOJCNYSA-N 1 2 367.493 2.929 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)Nc1ccccc1 ZINC001109624841 1000731205 /nfs/dbraw/zinc/73/12/05/1000731205.db2.gz FNZXTEJPGGRGOY-RNQOJCNYSA-N 1 2 367.493 2.929 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F)C(C)C ZINC001109677168 1000820749 /nfs/dbraw/zinc/82/07/49/1000820749.db2.gz KZSHDSGZYOXCPV-XGXHKWSGSA-N 1 2 359.445 2.590 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F)C(C)C ZINC001109677168 1000820753 /nfs/dbraw/zinc/82/07/53/1000820753.db2.gz KZSHDSGZYOXCPV-XGXHKWSGSA-N 1 2 359.445 2.590 20 30 FFEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2c(C)nnn2CC)CC1 ZINC001109680275 1000833086 /nfs/dbraw/zinc/83/30/86/1000833086.db2.gz ALYLUTJIYWBTAX-IKGGRYGDSA-N 1 2 357.502 2.574 20 30 FFEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2c(C)nnn2CC)CC1 ZINC001109680275 1000833089 /nfs/dbraw/zinc/83/30/89/1000833089.db2.gz ALYLUTJIYWBTAX-IKGGRYGDSA-N 1 2 357.502 2.574 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)C(C)C)CCC1 ZINC001109683173 1000839053 /nfs/dbraw/zinc/83/90/53/1000839053.db2.gz ACRWDQYVXHZVBV-BDXSIMOUSA-N 1 2 361.530 2.615 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)C(C)C)CCC1 ZINC001109683173 1000839060 /nfs/dbraw/zinc/83/90/60/1000839060.db2.gz ACRWDQYVXHZVBV-BDXSIMOUSA-N 1 2 361.530 2.615 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091657087 1000979022 /nfs/dbraw/zinc/97/90/22/1000979022.db2.gz XMBJGTVPZCOBAH-FHLIZLRMSA-N 1 2 368.485 2.527 20 30 FFEDLO CCO[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001091667329 1000989869 /nfs/dbraw/zinc/98/98/69/1000989869.db2.gz MCEQROXIQGNFEB-QZTJIDSGSA-N 1 2 370.497 2.597 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC1CCCCC1)C2 ZINC001109792895 1001008513 /nfs/dbraw/zinc/00/85/13/1001008513.db2.gz MUTMEFIJMDDPDO-NQYYFHDYSA-N 1 2 361.530 2.617 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC1CCCCC1)C2 ZINC001109792895 1001008517 /nfs/dbraw/zinc/00/85/17/1001008517.db2.gz MUTMEFIJMDDPDO-NQYYFHDYSA-N 1 2 361.530 2.617 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)CCC1CCCC1)C2 ZINC001109849387 1001077339 /nfs/dbraw/zinc/07/73/39/1001077339.db2.gz PUMFZLFBTNGDSS-IKGGRYGDSA-N 1 2 367.921 2.547 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)CCC1CCCC1)C2 ZINC001109849387 1001077347 /nfs/dbraw/zinc/07/73/47/1001077347.db2.gz PUMFZLFBTNGDSS-IKGGRYGDSA-N 1 2 367.921 2.547 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(s1)CC[C@@H](C)C3)C2 ZINC001110084646 1001742888 /nfs/dbraw/zinc/74/28/88/1001742888.db2.gz IOEXGQREUUIXGI-BGTYHANMSA-N 1 2 372.534 2.858 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(s1)CC[C@@H](C)C3)C2 ZINC001110084646 1001742894 /nfs/dbraw/zinc/74/28/94/1001742894.db2.gz IOEXGQREUUIXGI-BGTYHANMSA-N 1 2 372.534 2.858 20 30 FFEDLO CC(C)(C)OCCCCON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000788785736 1001878963 /nfs/dbraw/zinc/87/89/63/1001878963.db2.gz FFQZTYBVHSMZPA-UHFFFAOYSA-N 1 2 363.502 2.751 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCN(c2ncnc3c2C[N@H+](C)CC3)[C@@H]1CC ZINC001091820513 1001962364 /nfs/dbraw/zinc/96/23/64/1001962364.db2.gz QJRAVMYZWFAXEV-ZYSHUDEJSA-N 1 2 371.529 2.540 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCN(c2ncnc3c2C[N@@H+](C)CC3)[C@@H]1CC ZINC001091820513 1001962371 /nfs/dbraw/zinc/96/23/71/1001962371.db2.gz QJRAVMYZWFAXEV-ZYSHUDEJSA-N 1 2 371.529 2.540 20 30 FFEDLO CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@@H](C)c1ccc(C#N)cc1)C2 ZINC001182792999 1002039865 /nfs/dbraw/zinc/03/98/65/1002039865.db2.gz WKVHIGPSRXPVSX-HNNXBMFYSA-N 1 2 365.481 2.810 20 30 FFEDLO CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@@H](C)c1ccc(C#N)cc1)C2 ZINC001182792999 1002039875 /nfs/dbraw/zinc/03/98/75/1002039875.db2.gz WKVHIGPSRXPVSX-HNNXBMFYSA-N 1 2 365.481 2.810 20 30 FFEDLO COc1ccccc1-n1c[nH+]c2cc(N[C@@H]3C(=O)N(O)C[C@@H]3C)ccc21 ZINC001171370536 1002042833 /nfs/dbraw/zinc/04/28/33/1002042833.db2.gz WYOIWEBGXJNERY-SGTLLEGYSA-N 1 2 352.394 2.682 20 30 FFEDLO C#Cc1cncc(C(=O)N2C[C@H]3C[N@H+](C/C(Cl)=C\Cl)C[C@@]3(C)C2)c1 ZINC001091996901 1002203474 /nfs/dbraw/zinc/20/34/74/1002203474.db2.gz DAPZPBJTCJZGJT-OBUAAFHBSA-N 1 2 364.276 2.776 20 30 FFEDLO C#Cc1cncc(C(=O)N2C[C@H]3C[N@@H+](C/C(Cl)=C\Cl)C[C@@]3(C)C2)c1 ZINC001091996901 1002203482 /nfs/dbraw/zinc/20/34/82/1002203482.db2.gz DAPZPBJTCJZGJT-OBUAAFHBSA-N 1 2 364.276 2.776 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)n3C)C[C@@]2(C)C1 ZINC001091978207 1002240043 /nfs/dbraw/zinc/24/00/43/1002240043.db2.gz LUYFMSIPJMXURW-HBGVWJBISA-N 1 2 371.529 2.575 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)n3C)C[C@@]2(C)C1 ZINC001091978207 1002240051 /nfs/dbraw/zinc/24/00/51/1002240051.db2.gz LUYFMSIPJMXURW-HBGVWJBISA-N 1 2 371.529 2.575 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CC4)nn3C)C[C@@]2(C)C1 ZINC001091980358 1002243397 /nfs/dbraw/zinc/24/33/97/1002243397.db2.gz BMZXXYFOZGRNFE-CZAAIQMYSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CC4)nn3C)C[C@@]2(C)C1 ZINC001091980358 1002243400 /nfs/dbraw/zinc/24/34/00/1002243400.db2.gz BMZXXYFOZGRNFE-CZAAIQMYSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C)OCC ZINC001092017502 1002293188 /nfs/dbraw/zinc/29/31/88/1002293188.db2.gz BURXZMHKLYUOHX-BPQIPLTHSA-N 1 2 360.502 2.857 20 30 FFEDLO Cn1cc[nH+]c1NN=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000790299939 1002329366 /nfs/dbraw/zinc/32/93/66/1002329366.db2.gz MGXGLBMFSFENMF-UHFFFAOYSA-N 1 2 365.349 2.994 20 30 FFEDLO CN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N)[C@H]1CC[C@H](O)CC1 ZINC001183828081 1002400851 /nfs/dbraw/zinc/40/08/51/1002400851.db2.gz CPMUWHJQFJVKIU-UFYCRDLUSA-N 1 2 355.482 2.675 20 30 FFEDLO CN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N)[C@H]1CC[C@H](O)CC1 ZINC001183828081 1002400857 /nfs/dbraw/zinc/40/08/57/1002400857.db2.gz CPMUWHJQFJVKIU-UFYCRDLUSA-N 1 2 355.482 2.675 20 30 FFEDLO CCn1cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)ccc1=O ZINC001183841443 1002408750 /nfs/dbraw/zinc/40/87/50/1002408750.db2.gz NPXGJBBXPSRREW-LJQANCHMSA-N 1 2 364.449 2.733 20 30 FFEDLO CCn1cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)ccc1=O ZINC001183841443 1002408756 /nfs/dbraw/zinc/40/87/56/1002408756.db2.gz NPXGJBBXPSRREW-LJQANCHMSA-N 1 2 364.449 2.733 20 30 FFEDLO CCCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C#N)c(C)n2)C1 ZINC001092312548 1002659366 /nfs/dbraw/zinc/65/93/66/1002659366.db2.gz URXRMJMTYSBRMK-IAGOWNOFSA-N 1 2 366.469 2.592 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C)nn2)C1 ZINC001092316057 1002669473 /nfs/dbraw/zinc/66/94/73/1002669473.db2.gz RAVWCQWRGZDNII-BRWVUGGUSA-N 1 2 368.485 2.527 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nc3cnccc3s2)C1 ZINC001086598530 1002691488 /nfs/dbraw/zinc/69/14/88/1002691488.db2.gz MYJAMDZTPQGPQF-DOTOQJQBSA-N 1 2 362.458 2.522 20 30 FFEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nc3cnccc3s2)C1 ZINC001086598530 1002691496 /nfs/dbraw/zinc/69/14/96/1002691496.db2.gz MYJAMDZTPQGPQF-DOTOQJQBSA-N 1 2 362.458 2.522 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@@H](C2CC2)O1 ZINC000791553981 1002737773 /nfs/dbraw/zinc/73/77/73/1002737773.db2.gz QIGLDYKOHIZQHY-NRXGSXMXSA-N 1 2 362.433 2.723 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@@H](C2CC2)O1 ZINC000791553981 1002737793 /nfs/dbraw/zinc/73/77/93/1002737793.db2.gz QIGLDYKOHIZQHY-NRXGSXMXSA-N 1 2 362.433 2.723 20 30 FFEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C)s1)c1nccn12 ZINC001092401703 1002776734 /nfs/dbraw/zinc/77/67/34/1002776734.db2.gz GEJLJRLLQUOIBE-BZUAXINKSA-N 1 2 368.506 2.815 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(OC)ccn1 ZINC001095535075 1016674603 /nfs/dbraw/zinc/67/46/03/1016674603.db2.gz VBUDQUDKGFLBQE-NEWSRXKRSA-N 1 2 366.465 2.613 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(OC)ccn1 ZINC001095535075 1016674613 /nfs/dbraw/zinc/67/46/13/1016674613.db2.gz VBUDQUDKGFLBQE-NEWSRXKRSA-N 1 2 366.465 2.613 20 30 FFEDLO C=CCCc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c(=O)[nH]1 ZINC001185364576 1002932671 /nfs/dbraw/zinc/93/26/71/1002932671.db2.gz SHODNJVRNPGVEG-INIZCTEOSA-N 1 2 365.424 2.851 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1C#N ZINC000792386826 1002993653 /nfs/dbraw/zinc/99/36/53/1002993653.db2.gz VGDQUEOAVUGMNW-UHFFFAOYSA-N 1 2 369.396 2.922 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2CCOCC2)C3)c1 ZINC001096900569 1016705638 /nfs/dbraw/zinc/70/56/38/1016705638.db2.gz DCTWDINJDRLNEY-RLLQIKCJSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2CCOCC2)C3)c1 ZINC001096900569 1016705643 /nfs/dbraw/zinc/70/56/43/1016705643.db2.gz DCTWDINJDRLNEY-RLLQIKCJSA-N 1 2 371.456 2.736 20 30 FFEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000792381760 1003000770 /nfs/dbraw/zinc/00/07/70/1003000770.db2.gz WNCAUQVHKCNNQA-UHFFFAOYSA-N 1 2 366.465 2.999 20 30 FFEDLO CCCCN1C[C@@]2(F)C[N@H+](CCCc3cccc(C#N)c3)C[C@@]2(F)C1=O ZINC001276280849 1016709679 /nfs/dbraw/zinc/70/96/79/1016709679.db2.gz TWCXEAZATBYRHS-VQTJNVASSA-N 1 2 361.436 2.865 20 30 FFEDLO CCCCN1C[C@@]2(F)C[N@@H+](CCCc3cccc(C#N)c3)C[C@@]2(F)C1=O ZINC001276280849 1016709693 /nfs/dbraw/zinc/70/96/93/1016709693.db2.gz TWCXEAZATBYRHS-VQTJNVASSA-N 1 2 361.436 2.865 20 30 FFEDLO Cc1cc(N2C[C@@H](C)[C@H](CCNC(=O)C#CC3CC3)C2)nc(C2CC2)[nH+]1 ZINC001092513568 1003023805 /nfs/dbraw/zinc/02/38/05/1003023805.db2.gz ORVXGNBYJHXRND-RDTXWAMCSA-N 1 2 352.482 2.654 20 30 FFEDLO Cc1n[nH]c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2C)c1C ZINC001092514101 1003025032 /nfs/dbraw/zinc/02/50/32/1003025032.db2.gz XCEMQBSZWDUMEM-SJKOYZFVSA-N 1 2 369.444 2.535 20 30 FFEDLO Cc1n[nH]c(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2C)c1C ZINC001092514101 1003025042 /nfs/dbraw/zinc/02/50/42/1003025042.db2.gz XCEMQBSZWDUMEM-SJKOYZFVSA-N 1 2 369.444 2.535 20 30 FFEDLO Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)c1 ZINC001096912600 1016727660 /nfs/dbraw/zinc/72/76/60/1016727660.db2.gz MTUQTCKYQRTYIX-OLMNPRSZSA-N 1 2 352.463 2.859 20 30 FFEDLO Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)c1 ZINC001096912600 1016727676 /nfs/dbraw/zinc/72/76/76/1016727676.db2.gz MTUQTCKYQRTYIX-OLMNPRSZSA-N 1 2 352.463 2.859 20 30 FFEDLO CCOC(=O)[C@@H]([NH3+])Cc1cn(C2CCC(C#N)(c3ccccc3)CC2)cn1 ZINC001170375675 1003143223 /nfs/dbraw/zinc/14/32/23/1003143223.db2.gz DGJMJGXFJWOKSJ-SCCNAQOGSA-N 1 2 366.465 2.893 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001110379645 1003293752 /nfs/dbraw/zinc/29/37/52/1003293752.db2.gz YAUQRTJZZZWGGA-RDJZCZTQSA-N 1 2 356.470 2.704 20 30 FFEDLO C=CC[C@]1(C(=O)OCCc2c[nH+]cn2C)CCCN1C(=O)OC(C)(C)C ZINC000793254769 1003320856 /nfs/dbraw/zinc/32/08/56/1003320856.db2.gz WQNFVYGVXLQWMV-LJQANCHMSA-N 1 2 363.458 2.852 20 30 FFEDLO C[C@@H]1C(=O)N(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)[C@H]1c1ccccc1 ZINC000793588760 1003432066 /nfs/dbraw/zinc/43/20/66/1003432066.db2.gz DOEAYTGIQDYMQY-ZAAXVRCTSA-N 1 2 362.433 2.583 20 30 FFEDLO C[C@@H]1C(=O)N(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)[C@H]1c1ccccc1 ZINC000793588760 1003432074 /nfs/dbraw/zinc/43/20/74/1003432074.db2.gz DOEAYTGIQDYMQY-ZAAXVRCTSA-N 1 2 362.433 2.583 20 30 FFEDLO Cc1nc(N2CC[C@@]3(CNC(=O)C#CC(C)C)CCC[C@@H]23)c(C)c(C)[nH+]1 ZINC001092696520 1003440937 /nfs/dbraw/zinc/44/09/37/1003440937.db2.gz AVOANXZDYDUDOO-WIYYLYMNSA-N 1 2 354.498 2.926 20 30 FFEDLO CCn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC#Cc2ccccc2)C3)n1 ZINC001110135393 1003524352 /nfs/dbraw/zinc/52/43/52/1003524352.db2.gz AFWDNOPVNWNZIV-HKBOAZHASA-N 1 2 362.477 2.566 20 30 FFEDLO CCn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC#Cc2ccccc2)C3)n1 ZINC001110135393 1003524362 /nfs/dbraw/zinc/52/43/62/1003524362.db2.gz AFWDNOPVNWNZIV-HKBOAZHASA-N 1 2 362.477 2.566 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)cc2F)[nH]1 ZINC001096971524 1016790338 /nfs/dbraw/zinc/79/03/38/1016790338.db2.gz QITDZYXGBFNNFR-OLMNPRSZSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)cc2F)[nH]1 ZINC001096971524 1016790352 /nfs/dbraw/zinc/79/03/52/1016790352.db2.gz QITDZYXGBFNNFR-OLMNPRSZSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(F)ccc2F)[nH]1 ZINC001096971803 1016790478 /nfs/dbraw/zinc/79/04/78/1016790478.db2.gz WRXBMRXISIKNDK-OLMNPRSZSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(F)ccc2F)[nH]1 ZINC001096971803 1016790487 /nfs/dbraw/zinc/79/04/87/1016790487.db2.gz WRXBMRXISIKNDK-OLMNPRSZSA-N 1 2 356.376 2.700 20 30 FFEDLO CCO[C@@H](CC)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187101989 1003569611 /nfs/dbraw/zinc/56/96/11/1003569611.db2.gz SALSLYRSAFSNOZ-IPELMVKDSA-N 1 2 359.445 2.545 20 30 FFEDLO CCO[C@@H](CC)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187101989 1003569620 /nfs/dbraw/zinc/56/96/20/1003569620.db2.gz SALSLYRSAFSNOZ-IPELMVKDSA-N 1 2 359.445 2.545 20 30 FFEDLO CCc1ccc([C@H]2CN(S(=O)(=O)c3cc(C#N)ccc3C)CC[NH2+]2)cc1 ZINC001196227334 1003711744 /nfs/dbraw/zinc/71/17/44/1003711744.db2.gz GNQCEPIWNZZPCD-LJQANCHMSA-N 1 2 369.490 2.764 20 30 FFEDLO N#Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1F ZINC001129863560 1003790313 /nfs/dbraw/zinc/79/03/13/1003790313.db2.gz KVCJVVRDKPBITE-UHFFFAOYSA-N 1 2 365.324 2.721 20 30 FFEDLO CC[C@@H](CC1CCCC1)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001196591509 1003871881 /nfs/dbraw/zinc/87/18/81/1003871881.db2.gz ZYUHJYYQNZRYTH-BHDDXSALSA-N 1 2 368.521 2.806 20 30 FFEDLO CC[C@@H](CC1CCCC1)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001196591509 1003871900 /nfs/dbraw/zinc/87/19/00/1003871900.db2.gz ZYUHJYYQNZRYTH-BHDDXSALSA-N 1 2 368.521 2.806 20 30 FFEDLO C#Cc1cccc(N(CC)CC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC001192149650 1004067107 /nfs/dbraw/zinc/06/71/07/1004067107.db2.gz POVMANPGRMCECU-UHFFFAOYSA-N 1 2 367.518 2.900 20 30 FFEDLO CCC(CC)CC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001197215319 1004125983 /nfs/dbraw/zinc/12/59/83/1004125983.db2.gz PRDIPECQFUEWHA-RTBURBONSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC(CC)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001197215319 1004125986 /nfs/dbraw/zinc/12/59/86/1004125986.db2.gz PRDIPECQFUEWHA-RTBURBONSA-N 1 2 362.901 2.679 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2c2ncccn2)cc1 ZINC001197448860 1004209863 /nfs/dbraw/zinc/20/98/63/1004209863.db2.gz FNFCDJSBVLRWBR-PKOBYXMFSA-N 1 2 352.438 2.510 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2c2ncccn2)cc1 ZINC001197448860 1004209871 /nfs/dbraw/zinc/20/98/71/1004209871.db2.gz FNFCDJSBVLRWBR-PKOBYXMFSA-N 1 2 352.438 2.510 20 30 FFEDLO CC[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O)C(C)(C)C ZINC001197744396 1004349630 /nfs/dbraw/zinc/34/96/30/1004349630.db2.gz ULYWTDNMMIBYBJ-GUDVDZBRSA-N 1 2 357.498 2.682 20 30 FFEDLO CC[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O)C(C)(C)C ZINC001197744396 1004349633 /nfs/dbraw/zinc/34/96/33/1004349633.db2.gz ULYWTDNMMIBYBJ-GUDVDZBRSA-N 1 2 357.498 2.682 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)CC[NH2+][C@@H](C)c1nc(C(C)C)no1 ZINC001273652621 1004363732 /nfs/dbraw/zinc/36/37/32/1004363732.db2.gz GIAZBZZJMVGYPO-JYJNAYRXSA-N 1 2 364.490 2.673 20 30 FFEDLO Cc1ccn(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001097004417 1016876018 /nfs/dbraw/zinc/87/60/18/1016876018.db2.gz ZMWXTVPBDQKXQH-QRQLOZEOSA-N 1 2 366.440 2.880 20 30 FFEDLO Cc1ccn(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001097004417 1016876043 /nfs/dbraw/zinc/87/60/43/1016876043.db2.gz ZMWXTVPBDQKXQH-QRQLOZEOSA-N 1 2 366.440 2.880 20 30 FFEDLO CC[C@H](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001193320819 1004451753 /nfs/dbraw/zinc/45/17/53/1004451753.db2.gz ZQQGOHOXEHCSJH-BMGDILEWSA-N 1 2 363.527 2.888 20 30 FFEDLO CC[C@H](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001193320819 1004451760 /nfs/dbraw/zinc/45/17/60/1004451760.db2.gz ZQQGOHOXEHCSJH-BMGDILEWSA-N 1 2 363.527 2.888 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1F ZINC001110500619 1004461196 /nfs/dbraw/zinc/46/11/96/1004461196.db2.gz HEUIUGJCFKROPC-VYCZESIESA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1F ZINC001110500619 1004461200 /nfs/dbraw/zinc/46/12/00/1004461200.db2.gz HEUIUGJCFKROPC-VYCZESIESA-N 1 2 350.409 2.513 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cnccn2)C[C@H]1O ZINC001198081638 1004474262 /nfs/dbraw/zinc/47/42/62/1004474262.db2.gz PFVPMAKQXHWDFC-BHIYHBOVSA-N 1 2 362.518 2.840 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cnccn2)C[C@H]1O ZINC001198081638 1004474265 /nfs/dbraw/zinc/47/42/65/1004474265.db2.gz PFVPMAKQXHWDFC-BHIYHBOVSA-N 1 2 362.518 2.840 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2OC)C[C@H]1O ZINC001198082149 1004474494 /nfs/dbraw/zinc/47/44/94/1004474494.db2.gz YHPKYLZSTDFMBW-QZTJIDSGSA-N 1 2 363.502 2.502 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2OC)C[C@H]1O ZINC001198082149 1004474499 /nfs/dbraw/zinc/47/44/99/1004474499.db2.gz YHPKYLZSTDFMBW-QZTJIDSGSA-N 1 2 363.502 2.502 20 30 FFEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)c1ccc(O)c(C#N)c1 ZINC001193506515 1004504921 /nfs/dbraw/zinc/50/49/21/1004504921.db2.gz NGXYYKSRUFSPIO-UHFFFAOYSA-N 1 2 363.377 2.668 20 30 FFEDLO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(O)c(C#N)c3)cc2F)CC1 ZINC001193504427 1004505399 /nfs/dbraw/zinc/50/53/99/1004505399.db2.gz DIILEMPTLNUPGN-UHFFFAOYSA-N 1 2 368.412 2.797 20 30 FFEDLO CCCCCCCOC(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001193994835 1004635411 /nfs/dbraw/zinc/63/54/11/1004635411.db2.gz BEMGIXDEFOECOA-UHFFFAOYSA-N 1 2 360.462 2.836 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2COC(=O)N2CCCC2)cc1 ZINC001194214162 1004679782 /nfs/dbraw/zinc/67/97/82/1004679782.db2.gz VJSZEEICQXXPPP-SFHVURJKSA-N 1 2 370.453 2.584 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2COC(=O)N2CCCC2)cc1 ZINC001194214162 1004679788 /nfs/dbraw/zinc/67/97/88/1004679788.db2.gz VJSZEEICQXXPPP-SFHVURJKSA-N 1 2 370.453 2.584 20 30 FFEDLO CCCCC[C@@H](CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001198918154 1004778905 /nfs/dbraw/zinc/77/89/05/1004778905.db2.gz TYMOWGRVKNOBOU-NJDAHSKKSA-N 1 2 356.510 2.806 20 30 FFEDLO CCCCC[C@@H](CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001198918154 1004778911 /nfs/dbraw/zinc/77/89/11/1004778911.db2.gz TYMOWGRVKNOBOU-NJDAHSKKSA-N 1 2 356.510 2.806 20 30 FFEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCCOC2CCC2)cc1 ZINC000808264381 1004792988 /nfs/dbraw/zinc/79/29/88/1004792988.db2.gz ZXCIKUDYJYZXRP-UHFFFAOYSA-N 1 2 363.458 2.917 20 30 FFEDLO CCCC[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001194841120 1004823467 /nfs/dbraw/zinc/82/34/67/1004823467.db2.gz ZURINVILEZCGBR-BMGDILEWSA-N 1 2 363.527 2.888 20 30 FFEDLO CCCC[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001194841120 1004823471 /nfs/dbraw/zinc/82/34/71/1004823471.db2.gz ZURINVILEZCGBR-BMGDILEWSA-N 1 2 363.527 2.888 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCCCC1 ZINC001110462779 1004839316 /nfs/dbraw/zinc/83/93/16/1004839316.db2.gz CPSVRYGXEODRMR-AQNXPRMDSA-N 1 2 373.541 2.598 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCCCC1 ZINC001110462779 1004839317 /nfs/dbraw/zinc/83/93/17/1004839317.db2.gz CPSVRYGXEODRMR-AQNXPRMDSA-N 1 2 373.541 2.598 20 30 FFEDLO Cc1cc[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001097023901 1016914778 /nfs/dbraw/zinc/91/47/78/1016914778.db2.gz MEYSPOWJHIFSFT-NXHRZFHOSA-N 1 2 352.413 2.869 20 30 FFEDLO Cc1cc[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001097023901 1016914785 /nfs/dbraw/zinc/91/47/85/1016914785.db2.gz MEYSPOWJHIFSFT-NXHRZFHOSA-N 1 2 352.413 2.869 20 30 FFEDLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)C)C3)cc1 ZINC001110539491 1004989392 /nfs/dbraw/zinc/98/93/92/1004989392.db2.gz VLUFKMYLNTWBSM-AFYVEPGGSA-N 1 2 367.493 2.703 20 30 FFEDLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)C)C3)cc1 ZINC001110539491 1004989395 /nfs/dbraw/zinc/98/93/95/1004989395.db2.gz VLUFKMYLNTWBSM-AFYVEPGGSA-N 1 2 367.493 2.703 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776280433 1005345988 /nfs/dbraw/zinc/34/59/88/1005345988.db2.gz ZSCBALWSGUJCPB-UXHICEINSA-N 1 2 366.421 2.511 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCn2cccn2)C1 ZINC001488885712 1005378948 /nfs/dbraw/zinc/37/89/48/1005378948.db2.gz QPNLDVCNEUEICL-ZWKOTPCHSA-N 1 2 358.873 2.610 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCn2cccn2)C1 ZINC001488885712 1005378951 /nfs/dbraw/zinc/37/89/51/1005378951.db2.gz QPNLDVCNEUEICL-ZWKOTPCHSA-N 1 2 358.873 2.610 20 30 FFEDLO C=CCCCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001489043437 1005392251 /nfs/dbraw/zinc/39/22/51/1005392251.db2.gz GGYYLSVANMEXLJ-CVEARBPZSA-N 1 2 362.522 2.501 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCCO2)[C@H]1CC ZINC001489103362 1005409471 /nfs/dbraw/zinc/40/94/71/1005409471.db2.gz ITBRHTZSTAUIPL-QLFBSQMISA-N 1 2 359.308 2.823 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCCO2)[C@H]1CC ZINC001489103362 1005409473 /nfs/dbraw/zinc/40/94/73/1005409473.db2.gz ITBRHTZSTAUIPL-QLFBSQMISA-N 1 2 359.308 2.823 20 30 FFEDLO CCO[C@H](CC)C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001489104361 1005409755 /nfs/dbraw/zinc/40/97/55/1005409755.db2.gz AIFYOROOJBMIFY-IPMKNSEASA-N 1 2 361.461 2.982 20 30 FFEDLO CCO[C@H](CC)C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001489104361 1005409757 /nfs/dbraw/zinc/40/97/57/1005409757.db2.gz AIFYOROOJBMIFY-IPMKNSEASA-N 1 2 361.461 2.982 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2nc(C)sc2C)[C@@H]1C ZINC001489254168 1005439523 /nfs/dbraw/zinc/43/95/23/1005439523.db2.gz URTMXHITBGOTKL-WWGRRREGSA-N 1 2 351.516 2.820 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)sc2C)[C@@H]1C ZINC001489254168 1005439525 /nfs/dbraw/zinc/43/95/25/1005439525.db2.gz URTMXHITBGOTKL-WWGRRREGSA-N 1 2 351.516 2.820 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCC1 ZINC001110601423 1005475738 /nfs/dbraw/zinc/47/57/38/1005475738.db2.gz YFNVFMAOHYUWHC-OAGGEKHMSA-N 1 2 367.921 2.545 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCC1 ZINC001110601423 1005475739 /nfs/dbraw/zinc/47/57/39/1005475739.db2.gz YFNVFMAOHYUWHC-OAGGEKHMSA-N 1 2 367.921 2.545 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001489953035 1005600154 /nfs/dbraw/zinc/60/01/54/1005600154.db2.gz VNXHMSRRMNAHPD-YYIAUSFCSA-N 1 2 372.513 2.859 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001489953035 1005600156 /nfs/dbraw/zinc/60/01/56/1005600156.db2.gz VNXHMSRRMNAHPD-YYIAUSFCSA-N 1 2 372.513 2.859 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001490575969 1005739252 /nfs/dbraw/zinc/73/92/52/1005739252.db2.gz MKELDVBAWSTYNA-QYZOEREBSA-N 1 2 364.449 2.700 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccn3nccc13)C2 ZINC001095686564 1016995069 /nfs/dbraw/zinc/99/50/69/1016995069.db2.gz QDFIOTAKHLDUIY-LMNJBCLMSA-N 1 2 371.444 2.741 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccn3nccc13)C2 ZINC001095686564 1016995081 /nfs/dbraw/zinc/99/50/81/1016995081.db2.gz QDFIOTAKHLDUIY-LMNJBCLMSA-N 1 2 371.444 2.741 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(-c4cccc(F)c4)o3)C[C@H]21 ZINC001187240694 1005971812 /nfs/dbraw/zinc/97/18/12/1005971812.db2.gz WWBGCALVQIVOQF-DOTOQJQBSA-N 1 2 370.428 2.875 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3nnc(-c4cccc(F)c4)o3)C[C@H]21 ZINC001187240694 1005971815 /nfs/dbraw/zinc/97/18/15/1005971815.db2.gz WWBGCALVQIVOQF-DOTOQJQBSA-N 1 2 370.428 2.875 20 30 FFEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCC(=O)N2CCc3ccccc32)C1 ZINC000852327557 1005980047 /nfs/dbraw/zinc/98/00/47/1005980047.db2.gz UEVQSNWXCLSURN-JOCHJYFZSA-N 1 2 360.461 2.918 20 30 FFEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](CCC(=O)N2CCc3ccccc32)C1 ZINC000852327557 1005980050 /nfs/dbraw/zinc/98/00/50/1005980050.db2.gz UEVQSNWXCLSURN-JOCHJYFZSA-N 1 2 360.461 2.918 20 30 FFEDLO N#Cc1sccc1N1CC[NH+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000852342125 1005984873 /nfs/dbraw/zinc/98/48/73/1005984873.db2.gz GYMWORXWXMOYGG-UHFFFAOYSA-N 1 2 367.430 2.754 20 30 FFEDLO N#C[C@@H](C(=O)C[N@H+]1CCC[C@H](CCF)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000852533911 1006070916 /nfs/dbraw/zinc/07/09/16/1006070916.db2.gz ZTSYMBKODNBCGA-HIFRSBDPSA-N 1 2 356.401 2.583 20 30 FFEDLO N#C[C@@H](C(=O)C[N@@H+]1CCC[C@H](CCF)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000852533911 1006070923 /nfs/dbraw/zinc/07/09/23/1006070923.db2.gz ZTSYMBKODNBCGA-HIFRSBDPSA-N 1 2 356.401 2.583 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(OC)c(F)c1)C2 ZINC001095711802 1017030212 /nfs/dbraw/zinc/03/02/12/1017030212.db2.gz SXYNPDIBCHIMQV-KBMXLJTQSA-N 1 2 352.837 2.851 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(OC)c(F)c1)C2 ZINC001095711802 1017030223 /nfs/dbraw/zinc/03/02/23/1017030223.db2.gz SXYNPDIBCHIMQV-KBMXLJTQSA-N 1 2 352.837 2.851 20 30 FFEDLO Cc1ccc(N2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)C2)cc1C ZINC000747972323 1006421679 /nfs/dbraw/zinc/42/16/79/1006421679.db2.gz YDVPDGZKQSTYJF-NQIIRXRSSA-N 1 2 356.514 2.868 20 30 FFEDLO Cc1ccc(N2CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)C2)cc1C ZINC000747972323 1006421687 /nfs/dbraw/zinc/42/16/87/1006421687.db2.gz YDVPDGZKQSTYJF-NQIIRXRSSA-N 1 2 356.514 2.868 20 30 FFEDLO CC[C@]1(c2ccc(C)cc2)CC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853523467 1006426820 /nfs/dbraw/zinc/42/68/20/1006426820.db2.gz FDSPZWXNNWBDTR-LAUBAEHRSA-N 1 2 353.466 2.985 20 30 FFEDLO CC[C@]1(c2ccc(C)cc2)CC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853523467 1006426825 /nfs/dbraw/zinc/42/68/25/1006426825.db2.gz FDSPZWXNNWBDTR-LAUBAEHRSA-N 1 2 353.466 2.985 20 30 FFEDLO CC[C@]1(c2ccc(C)cc2)CC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853523466 1006427760 /nfs/dbraw/zinc/42/77/60/1006427760.db2.gz FDSPZWXNNWBDTR-DYESRHJHSA-N 1 2 353.466 2.985 20 30 FFEDLO CC[C@]1(c2ccc(C)cc2)CC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853523466 1006427770 /nfs/dbraw/zinc/42/77/70/1006427770.db2.gz FDSPZWXNNWBDTR-DYESRHJHSA-N 1 2 353.466 2.985 20 30 FFEDLO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853526805 1006429478 /nfs/dbraw/zinc/42/94/78/1006429478.db2.gz ZGVOLBLOIXEDDO-QVKFZJNVSA-N 1 2 366.465 2.525 20 30 FFEDLO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853526805 1006429489 /nfs/dbraw/zinc/42/94/89/1006429489.db2.gz ZGVOLBLOIXEDDO-QVKFZJNVSA-N 1 2 366.465 2.525 20 30 FFEDLO C#Cc1cccc(NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000111717861 1006575521 /nfs/dbraw/zinc/57/55/21/1006575521.db2.gz QTAIOXQQLVBVDN-OAQYLSRUSA-N 1 2 363.461 2.733 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccccc3C)C[C@H]21 ZINC001188903505 1006795745 /nfs/dbraw/zinc/79/57/45/1006795745.db2.gz YZJYHAVGLOEEOI-AZUAARDMSA-N 1 2 367.493 2.660 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3C)C[C@H]21 ZINC001188903505 1006795757 /nfs/dbraw/zinc/79/57/57/1006795757.db2.gz YZJYHAVGLOEEOI-AZUAARDMSA-N 1 2 367.493 2.660 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4ccco4)no3)C[C@H]21 ZINC001188999615 1006841013 /nfs/dbraw/zinc/84/10/13/1006841013.db2.gz VBMZRIXVIPSGPS-LSDHHAIUSA-N 1 2 356.426 2.719 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4ccco4)no3)C[C@H]21 ZINC001188999615 1006841026 /nfs/dbraw/zinc/84/10/26/1006841026.db2.gz VBMZRIXVIPSGPS-LSDHHAIUSA-N 1 2 356.426 2.719 20 30 FFEDLO CC(C)COCCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206183874 1032179816 /nfs/dbraw/zinc/17/98/16/1032179816.db2.gz NHHFGVVTJMCQLN-DNVCBOLYSA-N 1 2 361.461 2.697 20 30 FFEDLO CC(C)COCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206183874 1032179822 /nfs/dbraw/zinc/17/98/22/1032179822.db2.gz NHHFGVVTJMCQLN-DNVCBOLYSA-N 1 2 361.461 2.697 20 30 FFEDLO C=CCC1(O)CCN(c2nc[nH+]c(N3CCC(O)(CC=C)CC3)c2C)CC1 ZINC000884724724 1007520794 /nfs/dbraw/zinc/52/07/94/1007520794.db2.gz COQLSICATIXWKF-UHFFFAOYSA-N 1 2 372.513 2.600 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001190441556 1007640541 /nfs/dbraw/zinc/64/05/41/1007640541.db2.gz WBZKKGVJQJQZMZ-YQQAZPJKSA-N 1 2 361.486 2.596 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001190441556 1007640547 /nfs/dbraw/zinc/64/05/47/1007640547.db2.gz WBZKKGVJQJQZMZ-YQQAZPJKSA-N 1 2 361.486 2.596 20 30 FFEDLO C=CCC1(S(=O)(=O)NC2CC[NH+](Cc3ccc(F)cc3F)CC2)CC1 ZINC001190836380 1007803608 /nfs/dbraw/zinc/80/36/08/1007803608.db2.gz SVGPRTAVWFIIBW-UHFFFAOYSA-N 1 2 370.465 2.957 20 30 FFEDLO CCCCCCCCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001191053053 1007878118 /nfs/dbraw/zinc/87/81/18/1007878118.db2.gz ZCVFWLNPVOUJGF-UHFFFAOYSA-N 1 2 351.495 2.697 20 30 FFEDLO CCCC[C@@H](CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001191237879 1007945463 /nfs/dbraw/zinc/94/54/63/1007945463.db2.gz PBNDWKSSUPMWLF-MISYRCLQSA-N 1 2 360.473 2.555 20 30 FFEDLO CCCC[C@@H](CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001191237879 1007945473 /nfs/dbraw/zinc/94/54/73/1007945473.db2.gz PBNDWKSSUPMWLF-MISYRCLQSA-N 1 2 360.473 2.555 20 30 FFEDLO COc1ccc(OC)c(NC(=O)[C@H](C)O[NH+]=C(N)c2ccc(F)cc2)c1 ZINC000818617343 1007951907 /nfs/dbraw/zinc/95/19/07/1007951907.db2.gz OWINTUDFMAATKG-NSHDSACASA-N 1 2 361.373 2.507 20 30 FFEDLO C=CCOc1ccc(/C=C\C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1OC ZINC000857964868 1008264238 /nfs/dbraw/zinc/26/42/38/1008264238.db2.gz APEWOGJTAACNQD-WRLNGNIRSA-N 1 2 353.422 2.601 20 30 FFEDLO C=C(C)C(C)(C)C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000821440145 1008461718 /nfs/dbraw/zinc/46/17/18/1008461718.db2.gz WOMMPTMGQJBSCR-UHFFFAOYSA-N 1 2 360.454 2.603 20 30 FFEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cc3cccnc3c([N+](=O)[O-])c2)cc1 ZINC001170984634 1008577155 /nfs/dbraw/zinc/57/71/55/1008577155.db2.gz VTSSXPWGKCBWJM-UHFFFAOYSA-N 1 2 350.334 2.967 20 30 FFEDLO COC(=O)c1cc(C#N)cc(-c2cc(C[NH+]3CCOCC3)ccc2OC)c1 ZINC001206526222 1032328654 /nfs/dbraw/zinc/32/86/54/1032328654.db2.gz LABKXHJAVVMSFC-UHFFFAOYSA-N 1 2 366.417 2.853 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccnc(OC)n2)CCCC1 ZINC001110212392 1008682818 /nfs/dbraw/zinc/68/28/18/1008682818.db2.gz AZRBYKNTBAFIAS-SQNIBIBYSA-N 1 2 370.497 2.843 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccnc(OC)n2)CCCC1 ZINC001110212392 1008682827 /nfs/dbraw/zinc/68/28/27/1008682827.db2.gz AZRBYKNTBAFIAS-SQNIBIBYSA-N 1 2 370.497 2.843 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(F)cn2)C3)c1 ZINC001095341608 1008753022 /nfs/dbraw/zinc/75/30/22/1008753022.db2.gz JBMOUCBUKVXADO-MNEFBYGVSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(F)cn2)C3)c1 ZINC001095341608 1008753031 /nfs/dbraw/zinc/75/30/31/1008753031.db2.gz JBMOUCBUKVXADO-MNEFBYGVSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2ccoc2)C3)c(F)c1 ZINC001095347584 1008856343 /nfs/dbraw/zinc/85/63/43/1008856343.db2.gz QVYDQHHVNGUHER-NEWSRXKRSA-N 1 2 353.397 2.755 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2ccoc2)C3)c(F)c1 ZINC001095347584 1008856359 /nfs/dbraw/zinc/85/63/59/1008856359.db2.gz QVYDQHHVNGUHER-NEWSRXKRSA-N 1 2 353.397 2.755 20 30 FFEDLO Cc1ccn(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095356798 1008919614 /nfs/dbraw/zinc/91/96/14/1008919614.db2.gz ZDKDRCFUZOWFAL-NEWSRXKRSA-N 1 2 366.440 2.880 20 30 FFEDLO Cc1ccn(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095356798 1008919621 /nfs/dbraw/zinc/91/96/21/1008919621.db2.gz ZDKDRCFUZOWFAL-NEWSRXKRSA-N 1 2 366.440 2.880 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)ns1 ZINC001095359395 1008967956 /nfs/dbraw/zinc/96/79/56/1008967956.db2.gz HOTWDUGNNMAGJT-HFTRVMKXSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)ns1 ZINC001095359395 1008967970 /nfs/dbraw/zinc/96/79/70/1008967970.db2.gz HOTWDUGNNMAGJT-HFTRVMKXSA-N 1 2 370.453 2.998 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C[C@H]1C ZINC001206662134 1032376892 /nfs/dbraw/zinc/37/68/92/1032376892.db2.gz ARTOCHACYDOMFY-PBFPGSCMSA-N 1 2 356.401 2.577 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C[C@H]1C ZINC001206662134 1032376900 /nfs/dbraw/zinc/37/69/00/1032376900.db2.gz ARTOCHACYDOMFY-PBFPGSCMSA-N 1 2 356.401 2.577 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000860608345 1009081387 /nfs/dbraw/zinc/08/13/87/1009081387.db2.gz AGXVCYOSBIKZSS-SJLPKXTDSA-N 1 2 359.470 2.630 20 30 FFEDLO C#CC[C@@H](CCOC)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000860621110 1009086102 /nfs/dbraw/zinc/08/61/02/1009086102.db2.gz DQTOBZCZEBINSO-INIZCTEOSA-N 1 2 356.426 2.512 20 30 FFEDLO Cc1cc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001095376716 1009090124 /nfs/dbraw/zinc/09/01/24/1009090124.db2.gz MEYSPOWJHIFSFT-NJAFHUGGSA-N 1 2 352.413 2.869 20 30 FFEDLO Cc1cc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001095376716 1009090139 /nfs/dbraw/zinc/09/01/39/1009090139.db2.gz MEYSPOWJHIFSFT-NJAFHUGGSA-N 1 2 352.413 2.869 20 30 FFEDLO C=CCC1(O)CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000887762468 1009569265 /nfs/dbraw/zinc/56/92/65/1009569265.db2.gz ZPTBJZBZBVUHJV-UHFFFAOYSA-N 1 2 370.453 2.897 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001093032641 1009697150 /nfs/dbraw/zinc/69/71/50/1009697150.db2.gz CFYBOXRFAFYGQL-PZTGFMGMSA-N 1 2 372.513 2.802 20 30 FFEDLO Cc1cnccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001095386738 1009746793 /nfs/dbraw/zinc/74/67/93/1009746793.db2.gz RNPWFCBNIKVKLI-BVGQSLNGSA-N 1 2 352.463 2.859 20 30 FFEDLO Cc1cnccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001095386738 1009746804 /nfs/dbraw/zinc/74/68/04/1009746804.db2.gz RNPWFCBNIKVKLI-BVGQSLNGSA-N 1 2 352.463 2.859 20 30 FFEDLO Cc1cnccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095386828 1009747229 /nfs/dbraw/zinc/74/72/29/1009747229.db2.gz WEYDTIKONJDOCZ-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cnccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095386828 1009747240 /nfs/dbraw/zinc/74/72/40/1009747240.db2.gz WEYDTIKONJDOCZ-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1CN(c1cc(C)[nH+]c(C3CC3)n1)C2 ZINC001093089047 1009866458 /nfs/dbraw/zinc/86/64/58/1009866458.db2.gz ZRGBHARYAVKZKQ-WJPUGNRLSA-N 1 2 370.497 2.729 20 30 FFEDLO Cc1nc(N[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2C(F)(F)F)cc[nH+]1 ZINC001093112557 1009964822 /nfs/dbraw/zinc/96/48/22/1009964822.db2.gz XBPQQWWAOADVDN-CHWSQXEVSA-N 1 2 354.376 2.636 20 30 FFEDLO CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC001181206914 1010012917 /nfs/dbraw/zinc/01/29/17/1010012917.db2.gz FPDOAMFXIUHEIR-GOSISDBHSA-N 1 2 373.497 2.579 20 30 FFEDLO CCOC(=O)c1cc(C#N)c(NC(=O)[C@@H]2CCCC[N@@H+]2CC)c(C)c1O ZINC001181999485 1010338606 /nfs/dbraw/zinc/33/86/06/1010338606.db2.gz ZVBBTIDVQCFNJB-HNNXBMFYSA-N 1 2 359.426 2.562 20 30 FFEDLO CCOC(=O)c1cc(C#N)c(NC(=O)[C@@H]2CCCC[N@H+]2CC)c(C)c1O ZINC001181999485 1010338620 /nfs/dbraw/zinc/33/86/20/1010338620.db2.gz ZVBBTIDVQCFNJB-HNNXBMFYSA-N 1 2 359.426 2.562 20 30 FFEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CC[C@H](c4ccccc4)O3)CC2)C1 ZINC001093535820 1010339269 /nfs/dbraw/zinc/33/92/69/1010339269.db2.gz AQWWFYGWQRIJGT-RTWAWAEBSA-N 1 2 370.493 2.785 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000826697255 1010426279 /nfs/dbraw/zinc/42/62/79/1010426279.db2.gz ZBQVLAUABWOPSR-HNNXBMFYSA-N 1 2 360.339 2.889 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000826697255 1010426286 /nfs/dbraw/zinc/42/62/86/1010426286.db2.gz ZBQVLAUABWOPSR-HNNXBMFYSA-N 1 2 360.339 2.889 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000120142839 1010527011 /nfs/dbraw/zinc/52/70/11/1010527011.db2.gz POZZLDIICQCQDX-QGZVFWFLSA-N 1 2 355.442 2.796 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3ccccc3)s2)C[C@H]1C ZINC001206913636 1032494234 /nfs/dbraw/zinc/49/42/34/1032494234.db2.gz SCRQIJPYAHXCGD-NVXWUHKLSA-N 1 2 368.506 2.945 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3ccccc3)s2)C[C@H]1C ZINC001206913636 1032494241 /nfs/dbraw/zinc/49/42/41/1032494241.db2.gz SCRQIJPYAHXCGD-NVXWUHKLSA-N 1 2 368.506 2.945 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2F)C[C@H]1C ZINC001206916110 1032498142 /nfs/dbraw/zinc/49/81/42/1032498142.db2.gz WAXPCNYXQVATQK-XHBKTUGNSA-N 1 2 354.853 2.743 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cc(Cl)ccc2F)C[C@H]1C ZINC001206916110 1032498145 /nfs/dbraw/zinc/49/81/45/1032498145.db2.gz WAXPCNYXQVATQK-XHBKTUGNSA-N 1 2 354.853 2.743 20 30 FFEDLO C[C@@H]1C[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@@]2(CCCOC2)O1 ZINC000794904725 1010960729 /nfs/dbraw/zinc/96/07/29/1010960729.db2.gz XYLQTEJYBVMLPM-OXQOHEQNSA-N 1 2 352.438 2.649 20 30 FFEDLO C[C@@H]1C[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@@]2(CCCOC2)O1 ZINC000794904725 1010960733 /nfs/dbraw/zinc/96/07/33/1010960733.db2.gz XYLQTEJYBVMLPM-OXQOHEQNSA-N 1 2 352.438 2.649 20 30 FFEDLO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1)c1cccc(C#N)c1O ZINC000866245221 1010960871 /nfs/dbraw/zinc/96/08/71/1010960871.db2.gz KRDKXCOONOGNQP-OAHLLOKOSA-N 1 2 365.433 2.587 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cn1c2cc(F)ccc2oc1=O ZINC000773298968 1011215813 /nfs/dbraw/zinc/21/58/13/1011215813.db2.gz HQFBXYKFGNLHEI-UHFFFAOYSA-N 1 2 355.369 2.711 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cn1c2cc(F)ccc2oc1=O ZINC000773298968 1011215823 /nfs/dbraw/zinc/21/58/23/1011215823.db2.gz HQFBXYKFGNLHEI-UHFFFAOYSA-N 1 2 355.369 2.711 20 30 FFEDLO C#C[C@H](NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)c1ccccc1 ZINC000868736104 1011445060 /nfs/dbraw/zinc/44/50/60/1011445060.db2.gz LSVXCMSJHUPFJG-SFHVURJKSA-N 1 2 366.490 2.809 20 30 FFEDLO CCn1ccnc1C[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CCCCC3)[C@@H]2C1 ZINC001274700391 1011598367 /nfs/dbraw/zinc/59/83/67/1011598367.db2.gz AKSFUQCUMQNZQQ-RBUKOAKNSA-N 1 2 354.498 2.519 20 30 FFEDLO CCn1ccnc1C[N@H+]1C[C@@H]2CCN(C(=O)C#CC3CCCCC3)[C@@H]2C1 ZINC001274700391 1011598378 /nfs/dbraw/zinc/59/83/78/1011598378.db2.gz AKSFUQCUMQNZQQ-RBUKOAKNSA-N 1 2 354.498 2.519 20 30 FFEDLO O=C(C#CC1CCCCC1)N1C[C@@H]2C[N@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001274701850 1011601943 /nfs/dbraw/zinc/60/19/43/1011601943.db2.gz KTCSPQDOVITBEV-CALCHBBNSA-N 1 2 372.431 2.824 20 30 FFEDLO O=C(C#CC1CCCCC1)N1C[C@@H]2C[N@@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001274701850 1011601952 /nfs/dbraw/zinc/60/19/52/1011601952.db2.gz KTCSPQDOVITBEV-CALCHBBNSA-N 1 2 372.431 2.824 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2nccc(Cl)n2)C[C@H]1C#N ZINC001172984968 1012155247 /nfs/dbraw/zinc/15/52/47/1012155247.db2.gz NQJUCHICMHJDNW-RYUDHWBXSA-N 1 2 351.838 2.511 20 30 FFEDLO CCCCCCCCCC(=O)N1C[C@H]2CC[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001221976788 1032604633 /nfs/dbraw/zinc/60/46/33/1032604633.db2.gz PFLMASMMJGEWMX-IEBWSBKVSA-N 1 2 361.534 2.989 20 30 FFEDLO CCCCCCCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001221976788 1032604644 /nfs/dbraw/zinc/60/46/44/1032604644.db2.gz PFLMASMMJGEWMX-IEBWSBKVSA-N 1 2 361.534 2.989 20 30 FFEDLO C=C[C@H]1C[C@@]1([NH2+]C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)OCC ZINC001173000404 1012168168 /nfs/dbraw/zinc/16/81/68/1012168168.db2.gz LOHISWDBORJVHQ-YWZLYKJASA-N 1 2 360.429 2.528 20 30 FFEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3cc(Cl)cc(Cl)c3)C2)OCC1=O ZINC001275282817 1012195524 /nfs/dbraw/zinc/19/55/24/1012195524.db2.gz VGXKDHSUEDFUIC-QGZVFWFLSA-N 1 2 355.265 2.983 20 30 FFEDLO C=CCN1C[C@]2(CC[N@H+](Cc3cc(Cl)cc(Cl)c3)C2)OCC1=O ZINC001275282817 1012195532 /nfs/dbraw/zinc/19/55/32/1012195532.db2.gz VGXKDHSUEDFUIC-QGZVFWFLSA-N 1 2 355.265 2.983 20 30 FFEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173225426 1012360109 /nfs/dbraw/zinc/36/01/09/1012360109.db2.gz JXHRYGHEVFFGSE-IFXJQAMLSA-N 1 2 367.405 2.771 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cccnc2)C3)c(F)c1 ZINC001095100820 1012417655 /nfs/dbraw/zinc/41/76/55/1012417655.db2.gz TYVYJJYFGFTDHH-NEWSRXKRSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cccnc2)C3)c(F)c1 ZINC001095100820 1012417666 /nfs/dbraw/zinc/41/76/66/1012417666.db2.gz TYVYJJYFGFTDHH-NEWSRXKRSA-N 1 2 350.397 2.628 20 30 FFEDLO C=CCOC1CCC([NH2+][C@@H](Cc2ccc(Cl)cn2)C(=O)OC)CC1 ZINC001173319756 1012469149 /nfs/dbraw/zinc/46/91/49/1012469149.db2.gz UWRFXNMANZFMGJ-PREGVCBESA-N 1 2 352.862 2.923 20 30 FFEDLO COc1ccc(C(=O)N2CCC([N@@H+]3CCC4SC(=O)C=C4C3)CC2)cc1 ZINC001173404756 1012532189 /nfs/dbraw/zinc/53/21/89/1012532189.db2.gz GZNLXKJNLDBBJL-GOSISDBHSA-N 1 2 372.490 2.574 20 30 FFEDLO COc1ccc(C(=O)N2CCC([N@H+]3CCC4SC(=O)C=C4C3)CC2)cc1 ZINC001173404756 1012532212 /nfs/dbraw/zinc/53/22/12/1012532212.db2.gz GZNLXKJNLDBBJL-GOSISDBHSA-N 1 2 372.490 2.574 20 30 FFEDLO COc1ccc(C(=O)N2CCC([N@@H+]3CC[C@H]4SC(=O)C=C4C3)CC2)cc1 ZINC001173404756 1012532225 /nfs/dbraw/zinc/53/22/25/1012532225.db2.gz GZNLXKJNLDBBJL-GOSISDBHSA-N 1 2 372.490 2.574 20 30 FFEDLO COc1ccc(C(=O)N2CCC([N@H+]3CC[C@H]4SC(=O)C=C4C3)CC2)cc1 ZINC001173404756 1012532237 /nfs/dbraw/zinc/53/22/37/1012532237.db2.gz GZNLXKJNLDBBJL-GOSISDBHSA-N 1 2 372.490 2.574 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)on1 ZINC001095155004 1012565648 /nfs/dbraw/zinc/56/56/48/1012565648.db2.gz BUMRFWAWCHWZHT-PVAVHDDUSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)on1 ZINC001095155004 1012565658 /nfs/dbraw/zinc/56/56/58/1012565658.db2.gz BUMRFWAWCHWZHT-PVAVHDDUSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)cn1 ZINC001095183009 1012661330 /nfs/dbraw/zinc/66/13/30/1012661330.db2.gz KYIGVXASPTXTFY-HOJAQTOUSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)cn1 ZINC001095183009 1012661338 /nfs/dbraw/zinc/66/13/38/1012661338.db2.gz KYIGVXASPTXTFY-HOJAQTOUSA-N 1 2 364.424 2.936 20 30 FFEDLO CCC[N@H+](CCC#N)[C@H]1CN(C(=O)OC(C)(C)C)[C@@](CC)(C(=O)OC)C1 ZINC001173536518 1012704829 /nfs/dbraw/zinc/70/48/29/1012704829.db2.gz NNOQFJDOJJOJGT-DNVCBOLYSA-N 1 2 367.490 2.943 20 30 FFEDLO CCC[N@@H+](CCC#N)[C@H]1CN(C(=O)OC(C)(C)C)[C@@](CC)(C(=O)OC)C1 ZINC001173536518 1012704834 /nfs/dbraw/zinc/70/48/34/1012704834.db2.gz NNOQFJDOJJOJGT-DNVCBOLYSA-N 1 2 367.490 2.943 20 30 FFEDLO Cc1ocnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001095221069 1012741907 /nfs/dbraw/zinc/74/19/07/1012741907.db2.gz MNAKXXZGUKZEQY-SQNIBIBYSA-N 1 2 353.397 2.509 20 30 FFEDLO Cc1ocnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001095221069 1012741918 /nfs/dbraw/zinc/74/19/18/1012741918.db2.gz MNAKXXZGUKZEQY-SQNIBIBYSA-N 1 2 353.397 2.509 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)c1ccnc(F)c1 ZINC001095227423 1012759163 /nfs/dbraw/zinc/75/91/63/1012759163.db2.gz VNTIJKYILBTWLS-QYZOEREBSA-N 1 2 367.399 2.747 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)c1ccnc(F)c1 ZINC001095227423 1012759176 /nfs/dbraw/zinc/75/91/76/1012759176.db2.gz VNTIJKYILBTWLS-QYZOEREBSA-N 1 2 367.399 2.747 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CC3(C2)COCC(=O)N3CC=C(C)C)cc1 ZINC001275675429 1012836639 /nfs/dbraw/zinc/83/66/39/1012836639.db2.gz ITLLKJDLSBBALO-UHFFFAOYSA-N 1 2 356.466 2.631 20 30 FFEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1[nH]c(CCCC)nc1Cl)CC2 ZINC001275708562 1012892161 /nfs/dbraw/zinc/89/21/61/1012892161.db2.gz AWQDFRVCBGLWOI-AWEZNQCLSA-N 1 2 362.905 2.757 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)o1 ZINC001095266993 1013021485 /nfs/dbraw/zinc/02/14/85/1013021485.db2.gz PXTBKNNVHVLBIE-QYZOEREBSA-N 1 2 367.424 2.817 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)o1 ZINC001095266993 1013021499 /nfs/dbraw/zinc/02/14/99/1013021499.db2.gz PXTBKNNVHVLBIE-QYZOEREBSA-N 1 2 367.424 2.817 20 30 FFEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001050921483 1017172151 /nfs/dbraw/zinc/17/21/51/1017172151.db2.gz QZNYLCJWJNTQJV-AQNXPRMDSA-N 1 2 358.482 2.690 20 30 FFEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001050921483 1017172162 /nfs/dbraw/zinc/17/21/62/1017172162.db2.gz QZNYLCJWJNTQJV-AQNXPRMDSA-N 1 2 358.482 2.690 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cc2n(n1)CCCC2 ZINC001097290498 1017321506 /nfs/dbraw/zinc/32/15/06/1017321506.db2.gz AZUBMLSRBGGPQX-UZKOGDIHSA-N 1 2 374.488 2.606 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cc2n(n1)CCCC2 ZINC001097290498 1017321516 /nfs/dbraw/zinc/32/15/16/1017321516.db2.gz AZUBMLSRBGGPQX-UZKOGDIHSA-N 1 2 374.488 2.606 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cc(C)[nH+]c(C3CC3)n2)nc1 ZINC001055367313 1017360641 /nfs/dbraw/zinc/36/06/41/1017360641.db2.gz DULLWHMDMMKWHY-QRQLOZEOSA-N 1 2 373.460 2.578 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(=O)C1CCCCC1)C2 ZINC001111448785 1017451252 /nfs/dbraw/zinc/45/12/52/1017451252.db2.gz ZRXBXKJHTGKEET-SVGFKBNWSA-N 1 2 367.921 2.545 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(=O)C1CCCCC1)C2 ZINC001111448785 1017451265 /nfs/dbraw/zinc/45/12/65/1017451265.db2.gz ZRXBXKJHTGKEET-SVGFKBNWSA-N 1 2 367.921 2.545 20 30 FFEDLO C=CCCOCCCCC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000678817087 1017641966 /nfs/dbraw/zinc/64/19/66/1017641966.db2.gz QPVZJCNFUFQNER-UHFFFAOYSA-N 1 2 373.497 2.776 20 30 FFEDLO Cc1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001097613630 1017700150 /nfs/dbraw/zinc/70/01/50/1017700150.db2.gz AGHSPNYVUCVDRC-QRQLOZEOSA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001097613630 1017700156 /nfs/dbraw/zinc/70/01/56/1017700156.db2.gz AGHSPNYVUCVDRC-QRQLOZEOSA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1cc(NC[C@]23CCC[C@H]2CN(C(=O)[C@H](C)C#N)C3)nc(C2CC2)[nH+]1 ZINC001055643792 1017808635 /nfs/dbraw/zinc/80/86/35/1017808635.db2.gz QZUMGEIVNZKYID-PSGMQZRDSA-N 1 2 353.470 2.863 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)ccc3F)C[C@H]21 ZINC001222068940 1032730028 /nfs/dbraw/zinc/73/00/28/1032730028.db2.gz DHABJYXYGJNRSE-HBUWYVDXSA-N 1 2 350.409 2.589 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)ccc3F)C[C@H]21 ZINC001222068940 1032730040 /nfs/dbraw/zinc/73/00/40/1032730040.db2.gz DHABJYXYGJNRSE-HBUWYVDXSA-N 1 2 350.409 2.589 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001097871495 1018108977 /nfs/dbraw/zinc/10/89/77/1018108977.db2.gz TYBJAVKJNLNOAY-SBUWESJJSA-N 1 2 372.896 2.838 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001097871495 1018108986 /nfs/dbraw/zinc/10/89/86/1018108986.db2.gz TYBJAVKJNLNOAY-SBUWESJJSA-N 1 2 372.896 2.838 20 30 FFEDLO C[C@@H](c1ccnn1CC1CCC1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000926826576 1018264034 /nfs/dbraw/zinc/26/40/34/1018264034.db2.gz YRXUQEDFKALCJW-INIZCTEOSA-N 1 2 350.470 2.833 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927100597 1018364486 /nfs/dbraw/zinc/36/44/86/1018364486.db2.gz ZLPOPZKFBUVUDY-HNNXBMFYSA-N 1 2 350.422 2.824 20 30 FFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000827515810 1018393582 /nfs/dbraw/zinc/39/35/82/1018393582.db2.gz QHFGVHXJQXVYHF-MJGOQNOKSA-N 1 2 366.465 2.740 20 30 FFEDLO N#Cc1cnccc1C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000827719829 1018627478 /nfs/dbraw/zinc/62/74/78/1018627478.db2.gz PZSKKBIELVIAKV-UHFFFAOYSA-N 1 2 364.405 2.533 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC(C)(C)C ZINC001110936521 1018715278 /nfs/dbraw/zinc/71/52/78/1018715278.db2.gz RGROXKWEQSZBQO-MLHJIOFPSA-N 1 2 363.546 2.863 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC(C)(C)C ZINC001110936521 1018715289 /nfs/dbraw/zinc/71/52/89/1018715289.db2.gz RGROXKWEQSZBQO-MLHJIOFPSA-N 1 2 363.546 2.863 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccns2)cc1 ZINC001096126310 1018716649 /nfs/dbraw/zinc/71/66/49/1018716649.db2.gz UVQOUWIXOCQVTE-MNEFBYGVSA-N 1 2 367.474 2.690 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccns2)cc1 ZINC001096126310 1018716662 /nfs/dbraw/zinc/71/66/62/1018716662.db2.gz UVQOUWIXOCQVTE-MNEFBYGVSA-N 1 2 367.474 2.690 20 30 FFEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)CCOCC1 ZINC001098045450 1019142674 /nfs/dbraw/zinc/14/26/74/1019142674.db2.gz DIOAIDOVCDZDDJ-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)CCOCC1 ZINC001098045450 1019142676 /nfs/dbraw/zinc/14/26/76/1019142676.db2.gz DIOAIDOVCDZDDJ-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]2OC)C1 ZINC001042969597 1019171993 /nfs/dbraw/zinc/17/19/93/1019171993.db2.gz WPZOXIDTXHZEKH-HZPDHXFCSA-N 1 2 358.486 2.585 20 30 FFEDLO Cc1n[nH]c(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096183550 1019210239 /nfs/dbraw/zinc/21/02/39/1019210239.db2.gz IPRWEHXASLDCTK-NJAFHUGGSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1n[nH]c(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096183550 1019210244 /nfs/dbraw/zinc/21/02/44/1019210244.db2.gz IPRWEHXASLDCTK-NJAFHUGGSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001098052118 1019211380 /nfs/dbraw/zinc/21/13/80/1019211380.db2.gz BDNMGHNJLXTDOQ-QRVBRYPASA-N 1 2 366.440 2.552 20 30 FFEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001098052118 1019211386 /nfs/dbraw/zinc/21/13/86/1019211386.db2.gz BDNMGHNJLXTDOQ-QRVBRYPASA-N 1 2 366.440 2.552 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)o1 ZINC001096230788 1019507924 /nfs/dbraw/zinc/50/79/24/1019507924.db2.gz GJYGDVOLZNFTKI-PVAVHDDUSA-N 1 2 369.396 2.834 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)o1 ZINC001096230788 1019507935 /nfs/dbraw/zinc/50/79/35/1019507935.db2.gz GJYGDVOLZNFTKI-PVAVHDDUSA-N 1 2 369.396 2.834 20 30 FFEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@]3(C)c3ccccc3)c2C1 ZINC001069868258 1019640738 /nfs/dbraw/zinc/64/07/38/1019640738.db2.gz GRNOHYRYJOFZNC-SIKLNZKXSA-N 1 2 364.493 2.869 20 30 FFEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@]3(C)c3ccccc3)c2C1 ZINC001069868258 1019640756 /nfs/dbraw/zinc/64/07/56/1019640756.db2.gz GRNOHYRYJOFZNC-SIKLNZKXSA-N 1 2 364.493 2.869 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2c(C)nnn2CC)CC1 ZINC001095970675 1019654904 /nfs/dbraw/zinc/65/49/04/1019654904.db2.gz UAELBLSGAMQDTG-SQNIBIBYSA-N 1 2 357.502 2.574 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2c(C)nnn2CC)CC1 ZINC001095970675 1019654909 /nfs/dbraw/zinc/65/49/09/1019654909.db2.gz UAELBLSGAMQDTG-SQNIBIBYSA-N 1 2 357.502 2.574 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F)C(C)C ZINC001110984668 1019949587 /nfs/dbraw/zinc/94/95/87/1019949587.db2.gz KZSHDSGZYOXCPV-OQIJWPOYSA-N 1 2 359.445 2.590 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F)C(C)C ZINC001110984668 1019949593 /nfs/dbraw/zinc/94/95/93/1019949593.db2.gz KZSHDSGZYOXCPV-OQIJWPOYSA-N 1 2 359.445 2.590 20 30 FFEDLO COC(=O)[C@@H](OC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccc(C#N)cc1 ZINC000780087096 1019961275 /nfs/dbraw/zinc/96/12/75/1019961275.db2.gz CCCKENHWEIALBT-MSOLQXFVSA-N 1 2 352.390 2.618 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)[nH]1 ZINC001096028065 1019982817 /nfs/dbraw/zinc/98/28/17/1019982817.db2.gz GJTGJDZMNJHPLP-NJAFHUGGSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)[nH]1 ZINC001096028065 1019982819 /nfs/dbraw/zinc/98/28/19/1019982819.db2.gz GJTGJDZMNJHPLP-NJAFHUGGSA-N 1 2 367.428 2.573 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)C(C)C)CCC1 ZINC001110986906 1019997342 /nfs/dbraw/zinc/99/73/42/1019997342.db2.gz ACRWDQYVXHZVBV-TVFCKZIOSA-N 1 2 361.530 2.615 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)C(C)C)CCC1 ZINC001110986906 1019997351 /nfs/dbraw/zinc/99/73/51/1019997351.db2.gz ACRWDQYVXHZVBV-TVFCKZIOSA-N 1 2 361.530 2.615 20 30 FFEDLO CCOC(=O)c1cnc(N=NCc2ccc(-n3cc[nH+]c3)cc2)nc1C ZINC000777892092 1020004203 /nfs/dbraw/zinc/00/42/03/1020004203.db2.gz CSHYRARRELEDRQ-UHFFFAOYSA-N 1 2 350.382 2.593 20 30 FFEDLO CC(C)n1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)cn1 ZINC001096326768 1020070583 /nfs/dbraw/zinc/07/05/83/1020070583.db2.gz XNXKZKOSQKKXOG-AABGKKOBSA-N 1 2 363.465 2.871 20 30 FFEDLO CC(C)n1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)cn1 ZINC001096326768 1020070595 /nfs/dbraw/zinc/07/05/95/1020070595.db2.gz XNXKZKOSQKKXOG-AABGKKOBSA-N 1 2 363.465 2.871 20 30 FFEDLO CC[C@@H](C)c1ccc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)cc1 ZINC001070720821 1020088631 /nfs/dbraw/zinc/08/86/31/1020088631.db2.gz IXCDNZXDQZUNJN-ATZDWAIDSA-N 1 2 365.481 2.655 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)nc1 ZINC001045746383 1020111977 /nfs/dbraw/zinc/11/19/77/1020111977.db2.gz XCHCZTFJJRAHKH-ARFHVFGLSA-N 1 2 364.453 2.636 20 30 FFEDLO COc1ccc(C[N@@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)c(C#N)c1 ZINC001137700945 1032881191 /nfs/dbraw/zinc/88/11/91/1032881191.db2.gz GBNPKGKGALSZLT-DYXWJJEUSA-N 1 2 365.433 2.773 20 30 FFEDLO COc1ccc(C[N@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)c(C#N)c1 ZINC001137700945 1032881209 /nfs/dbraw/zinc/88/12/09/1032881209.db2.gz GBNPKGKGALSZLT-DYXWJJEUSA-N 1 2 365.433 2.773 20 30 FFEDLO COc1ccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)c(C#N)c1 ZINC001137703306 1032886908 /nfs/dbraw/zinc/88/69/08/1032886908.db2.gz IWKOZAYUSGRZRI-APWZRJJASA-N 1 2 365.433 2.896 20 30 FFEDLO COc1ccc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)c(C#N)c1 ZINC001137703306 1032886928 /nfs/dbraw/zinc/88/69/28/1032886928.db2.gz IWKOZAYUSGRZRI-APWZRJJASA-N 1 2 365.433 2.896 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC001072747394 1020296072 /nfs/dbraw/zinc/29/60/72/1020296072.db2.gz IWTCLJJIUSDWFE-SJORKVTESA-N 1 2 371.481 2.568 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC001072747394 1020296080 /nfs/dbraw/zinc/29/60/80/1020296080.db2.gz IWTCLJJIUSDWFE-SJORKVTESA-N 1 2 371.481 2.568 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CCCc3ccccc3)n2CC(C)C)CC1 ZINC000802665038 1020306017 /nfs/dbraw/zinc/30/60/17/1020306017.db2.gz CQEGGZDNIGYDPA-UHFFFAOYSA-N 1 2 365.525 2.865 20 30 FFEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000931145041 1020346055 /nfs/dbraw/zinc/34/60/55/1020346055.db2.gz AWRKBGZCIWOYLQ-UHFFFAOYSA-N 1 2 364.445 2.664 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001048620996 1020370616 /nfs/dbraw/zinc/37/06/16/1020370616.db2.gz PUGXLULDEUSCHL-DLBZAZTESA-N 1 2 364.453 2.650 20 30 FFEDLO CC(C)(C)c1nc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)co1 ZINC000902703482 1020416781 /nfs/dbraw/zinc/41/67/81/1020416781.db2.gz NAURUSXSRXSBPC-UHFFFAOYSA-N 1 2 372.469 2.641 20 30 FFEDLO CCC(C)(C)NC(=O)CO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000726184864 1020428732 /nfs/dbraw/zinc/42/87/32/1020428732.db2.gz YTXNPWYSDRMKCB-UHFFFAOYSA-N 1 2 370.453 2.602 20 30 FFEDLO C/C(=C\C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)C[NH+]1CCOCC1 ZINC000900643981 1020560238 /nfs/dbraw/zinc/56/02/38/1020560238.db2.gz PZBLHSPLERYFCF-LRFDDAOPSA-N 1 2 367.371 2.665 20 30 FFEDLO CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)cn1 ZINC001096089657 1020580233 /nfs/dbraw/zinc/58/02/33/1020580233.db2.gz JOHGVEHYKRRWMN-AABGKKOBSA-N 1 2 363.465 2.700 20 30 FFEDLO CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)cn1 ZINC001096089657 1020580240 /nfs/dbraw/zinc/58/02/40/1020580240.db2.gz JOHGVEHYKRRWMN-AABGKKOBSA-N 1 2 363.465 2.700 20 30 FFEDLO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3occc3s1)C2 ZINC001111018431 1020606489 /nfs/dbraw/zinc/60/64/89/1020606489.db2.gz USMUREOUVSEOPW-DGAVXFQQSA-N 1 2 373.478 2.520 20 30 FFEDLO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3occc3s1)C2 ZINC001111018431 1020606491 /nfs/dbraw/zinc/60/64/91/1020606491.db2.gz USMUREOUVSEOPW-DGAVXFQQSA-N 1 2 373.478 2.520 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)c(C#N)c1C ZINC000931905547 1020627172 /nfs/dbraw/zinc/62/71/72/1020627172.db2.gz OVZINSZHTAXYTK-UTKZUKDTSA-N 1 2 365.433 2.607 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)c(C#N)c1C ZINC000931905547 1020627183 /nfs/dbraw/zinc/62/71/83/1020627183.db2.gz OVZINSZHTAXYTK-UTKZUKDTSA-N 1 2 365.433 2.607 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nc(C)oc1C ZINC001074067902 1020632525 /nfs/dbraw/zinc/63/25/25/1020632525.db2.gz ZALHWHQPOMXBMX-LMMKCTJWSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nc(C)oc1C ZINC001074067902 1020632528 /nfs/dbraw/zinc/63/25/28/1020632528.db2.gz ZALHWHQPOMXBMX-LMMKCTJWSA-N 1 2 361.486 2.695 20 30 FFEDLO N#Cc1cc(F)ccc1C[NH+]1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000932049080 1020688505 /nfs/dbraw/zinc/68/85/05/1020688505.db2.gz SAVJNGZGGLYHHE-UHFFFAOYSA-N 1 2 365.408 2.854 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)no1 ZINC001098243373 1020758578 /nfs/dbraw/zinc/75/85/78/1020758578.db2.gz PELXKTRGYAYEMZ-BJZITVGISA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)no1 ZINC001098243373 1020758582 /nfs/dbraw/zinc/75/85/82/1020758582.db2.gz PELXKTRGYAYEMZ-BJZITVGISA-N 1 2 368.412 2.783 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCO[C@H](C)CC2)c1C#N ZINC000932342587 1020776683 /nfs/dbraw/zinc/77/66/83/1020776683.db2.gz IXRJVQXGVPANPG-CQSZACIVSA-N 1 2 370.453 2.667 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCO[C@H](C)CC2)c1C#N ZINC000932342587 1020776692 /nfs/dbraw/zinc/77/66/92/1020776692.db2.gz IXRJVQXGVPANPG-CQSZACIVSA-N 1 2 370.453 2.667 20 30 FFEDLO C[C@H]([NH2+][C@H](c1ncccn1)C1CC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000932357719 1020780644 /nfs/dbraw/zinc/78/06/44/1020780644.db2.gz GCXPIXDXSGBTQQ-ZBEGNZNMSA-N 1 2 367.478 2.966 20 30 FFEDLO N#CCCc1ccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000932575308 1020838118 /nfs/dbraw/zinc/83/81/18/1020838118.db2.gz ANMDKTREZALKPO-IBGZPJMESA-N 1 2 356.470 2.861 20 30 FFEDLO CSCC1CC[NH+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000932590580 1020840659 /nfs/dbraw/zinc/84/06/59/1020840659.db2.gz HJDQYOGUCANLEL-UHFFFAOYSA-N 1 2 369.494 2.757 20 30 FFEDLO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000932692822 1020873452 /nfs/dbraw/zinc/87/34/52/1020873452.db2.gz FJROKIRJEOLGNV-LJQANCHMSA-N 1 2 363.433 2.549 20 30 FFEDLO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000932692822 1020873460 /nfs/dbraw/zinc/87/34/60/1020873460.db2.gz FJROKIRJEOLGNV-LJQANCHMSA-N 1 2 363.433 2.549 20 30 FFEDLO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 ZINC000933624403 1021050786 /nfs/dbraw/zinc/05/07/86/1021050786.db2.gz IBCTUTATVUARCD-PZJWPPBQSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 ZINC000933624403 1021050794 /nfs/dbraw/zinc/05/07/94/1021050794.db2.gz IBCTUTATVUARCD-PZJWPPBQSA-N 1 2 352.434 2.680 20 30 FFEDLO C[C@H]1CCc2ccccc2N1C(=O)C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933655570 1021060811 /nfs/dbraw/zinc/06/08/11/1021060811.db2.gz DLNMEVYBDPZBEV-INIZCTEOSA-N 1 2 354.450 2.692 20 30 FFEDLO COc1cc(O[C@@H]2CC[NH2+]CC2(F)F)c2c(c1)C(=O)C=C(Cl)C2=O ZINC001218012296 1032951265 /nfs/dbraw/zinc/95/12/65/1032951265.db2.gz OATINWAMSSLKCI-CYBMUJFWSA-N 1 2 357.740 2.573 20 30 FFEDLO COC(=O)c1cccc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CC2)c1C#N ZINC000933998821 1021126285 /nfs/dbraw/zinc/12/62/85/1021126285.db2.gz CFKMOZRQDYXEOO-UHFFFAOYSA-N 1 2 364.401 2.895 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)c3ccns3)C2)c(F)c1 ZINC001098861151 1021262543 /nfs/dbraw/zinc/26/25/43/1021262543.db2.gz IIAWVUKRFUWGHI-KXBFYZLASA-N 1 2 370.453 2.938 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)c3ccns3)C2)c(F)c1 ZINC001098861151 1021262552 /nfs/dbraw/zinc/26/25/52/1021262552.db2.gz IIAWVUKRFUWGHI-KXBFYZLASA-N 1 2 370.453 2.938 20 30 FFEDLO C=CC[C@H]([NH2+]C1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OCC ZINC001116852548 1021454338 /nfs/dbraw/zinc/45/43/38/1021454338.db2.gz XTXIYFVCYODBSH-SFHVURJKSA-N 1 2 360.454 2.885 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2nc3cc(C)ccc3s2)C1 ZINC001015727086 1021945447 /nfs/dbraw/zinc/94/54/47/1021945447.db2.gz VGGASCHSLJWFKP-INMHGKMJSA-N 1 2 371.506 2.886 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2nc3cc(C)ccc3s2)C1 ZINC001015727086 1021945463 /nfs/dbraw/zinc/94/54/63/1021945463.db2.gz VGGASCHSLJWFKP-INMHGKMJSA-N 1 2 371.506 2.886 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c(C)noc1C)C2 ZINC001111115829 1021995791 /nfs/dbraw/zinc/99/57/91/1021995791.db2.gz KNUJLXPFGFOQGP-AIPUMIGSSA-N 1 2 351.878 2.944 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c(C)noc1C)C2 ZINC001111115829 1021995797 /nfs/dbraw/zinc/99/57/97/1021995797.db2.gz KNUJLXPFGFOQGP-AIPUMIGSSA-N 1 2 351.878 2.944 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C1CCCCC1)C2 ZINC001111120445 1022003730 /nfs/dbraw/zinc/00/37/30/1022003730.db2.gz TYCKESNADBOZTG-KURKYZTESA-N 1 2 361.530 2.617 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C1CCCCC1)C2 ZINC001111120445 1022003745 /nfs/dbraw/zinc/00/37/45/1022003745.db2.gz TYCKESNADBOZTG-KURKYZTESA-N 1 2 361.530 2.617 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](Oc2ccc(/C=C\C(=O)c3ccccc3)cc2)C[NH2+]1 ZINC001218174487 1033029552 /nfs/dbraw/zinc/02/95/52/1033029552.db2.gz FGXRHBKVAZTUOJ-KJJSRWKFSA-N 1 2 351.402 2.865 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3nccn3CC)C2)C1 ZINC001099303457 1022260484 /nfs/dbraw/zinc/26/04/84/1022260484.db2.gz NUIJJMJRMJSTTH-ZIAGYGMSSA-N 1 2 370.419 2.738 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)c3nnc(C)[nH]3)C2)C1 ZINC001099303059 1022260795 /nfs/dbraw/zinc/26/07/95/1022260795.db2.gz FUQORPJFHNRMEE-RAIGVLPGSA-N 1 2 371.407 2.509 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C(C)C)n3C)[C@H]2C1 ZINC001222547063 1033043292 /nfs/dbraw/zinc/04/32/92/1033043292.db2.gz HUXPGGBLCJZUPR-MSOLQXFVSA-N 1 2 371.529 2.555 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C(C)C)n3C)[C@H]2C1 ZINC001222547063 1033043307 /nfs/dbraw/zinc/04/33/07/1033043307.db2.gz HUXPGGBLCJZUPR-MSOLQXFVSA-N 1 2 371.529 2.555 20 30 FFEDLO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@]23C[C@H]2CCC3)cc1C#N ZINC001017750773 1022298350 /nfs/dbraw/zinc/29/83/50/1022298350.db2.gz VBISGSAYDBZZFT-NXWNEQKCSA-N 1 2 365.477 2.932 20 30 FFEDLO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@]23C[C@H]2CCC3)cc1C#N ZINC001017750773 1022298360 /nfs/dbraw/zinc/29/83/60/1022298360.db2.gz VBISGSAYDBZZFT-NXWNEQKCSA-N 1 2 365.477 2.932 20 30 FFEDLO COCCC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001111244741 1022579537 /nfs/dbraw/zinc/57/95/37/1022579537.db2.gz QPULKBJPDBRVEI-GVXRKXQCSA-N 1 2 373.472 2.982 20 30 FFEDLO COCCC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001111244741 1022579545 /nfs/dbraw/zinc/57/95/45/1022579545.db2.gz QPULKBJPDBRVEI-GVXRKXQCSA-N 1 2 373.472 2.982 20 30 FFEDLO Cc1ccc2c(C[NH+]3CCN(c4ncccc4C#N)CC3)cc(=O)oc2c1C ZINC000119981011 1022622575 /nfs/dbraw/zinc/62/25/75/1022622575.db2.gz RDSRHIXURFENEE-UHFFFAOYSA-N 1 2 374.444 2.999 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2ccco2)cc1F ZINC001038730637 1022695120 /nfs/dbraw/zinc/69/51/20/1022695120.db2.gz CHXQWNHXKYBYGQ-BRWVUGGUSA-N 1 2 353.397 2.785 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2ccco2)cc1F ZINC001038730637 1022695122 /nfs/dbraw/zinc/69/51/22/1022695122.db2.gz CHXQWNHXKYBYGQ-BRWVUGGUSA-N 1 2 353.397 2.785 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C(C)C)s3)[C@H]2C1 ZINC001222617685 1033076585 /nfs/dbraw/zinc/07/65/85/1033076585.db2.gz KHUIRHBJTJQPBU-CVEARBPZSA-N 1 2 360.527 2.888 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C(C)C)s3)[C@H]2C1 ZINC001222617685 1033076597 /nfs/dbraw/zinc/07/65/97/1033076597.db2.gz KHUIRHBJTJQPBU-CVEARBPZSA-N 1 2 360.527 2.888 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C4CCC4)no3)[C@H]2C1 ZINC001222617993 1033079807 /nfs/dbraw/zinc/07/98/07/1033079807.db2.gz RMWIWKSNKZCAAE-WBVHZDCISA-N 1 2 356.470 2.563 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C4CCC4)no3)[C@H]2C1 ZINC001222617993 1033079818 /nfs/dbraw/zinc/07/98/18/1033079818.db2.gz RMWIWKSNKZCAAE-WBVHZDCISA-N 1 2 356.470 2.563 20 30 FFEDLO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000752053066 1023039101 /nfs/dbraw/zinc/03/91/01/1023039101.db2.gz OLUITNRYYLZHDX-LPHOPBHVSA-N 1 2 358.438 2.828 20 30 FFEDLO CCOC(=O)CC[C@@H]1CCC[N@H+]([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000752053066 1023039115 /nfs/dbraw/zinc/03/91/15/1023039115.db2.gz OLUITNRYYLZHDX-LPHOPBHVSA-N 1 2 358.438 2.828 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001122441186 1023270757 /nfs/dbraw/zinc/27/07/57/1023270757.db2.gz QGEWVFDWWFCFFL-NVXWUHKLSA-N 1 2 357.458 2.792 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001122441186 1023270764 /nfs/dbraw/zinc/27/07/64/1023270764.db2.gz QGEWVFDWWFCFFL-NVXWUHKLSA-N 1 2 357.458 2.792 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000829366896 1033123490 /nfs/dbraw/zinc/12/34/90/1033123490.db2.gz RFMYJWXGKOCIME-FPOVZHCZSA-N 1 2 350.418 2.538 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000829366896 1033123501 /nfs/dbraw/zinc/12/35/01/1033123501.db2.gz RFMYJWXGKOCIME-FPOVZHCZSA-N 1 2 350.418 2.538 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001122568284 1023343648 /nfs/dbraw/zinc/34/36/48/1023343648.db2.gz ZKNQPMMQCXUWDZ-IAGOWNOFSA-N 1 2 361.534 2.683 20 30 FFEDLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000753833501 1023387838 /nfs/dbraw/zinc/38/78/38/1023387838.db2.gz DABPSUSAUDWVAY-ZFWWWQNUSA-N 1 2 350.422 2.723 20 30 FFEDLO C[C@H]1COC(C)(C)C[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000753833501 1023387842 /nfs/dbraw/zinc/38/78/42/1023387842.db2.gz DABPSUSAUDWVAY-ZFWWWQNUSA-N 1 2 350.422 2.723 20 30 FFEDLO CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000753930113 1023400092 /nfs/dbraw/zinc/40/00/92/1023400092.db2.gz VGIREYNALXFDQY-KBPBESRZSA-N 1 2 374.401 2.704 20 30 FFEDLO COC[C@@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccco1 ZINC000754338236 1023457183 /nfs/dbraw/zinc/45/71/83/1023457183.db2.gz ARKVJIOWGBSGHI-GDBMZVCRSA-N 1 2 362.389 2.794 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCOC[C@H](C)C2)c1C#N ZINC000754386259 1023462676 /nfs/dbraw/zinc/46/26/76/1023462676.db2.gz NRZHDNXCIMQXHG-OAHLLOKOSA-N 1 2 366.465 2.873 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCOC[C@H](C)C2)c1C#N ZINC000754386259 1023462679 /nfs/dbraw/zinc/46/26/79/1023462679.db2.gz NRZHDNXCIMQXHG-OAHLLOKOSA-N 1 2 366.465 2.873 20 30 FFEDLO N#CC[C@@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2C[C@H]2CCCO2)C1 ZINC001122835144 1023503911 /nfs/dbraw/zinc/50/39/11/1023503911.db2.gz JPUKLDBCKQAXNJ-ZWKOTPCHSA-N 1 2 372.517 2.573 20 30 FFEDLO C[N@@H+]1CCC[C@H]1c1nnc(N2CCC[C@H](C#N)C2)n1Cc1cccs1 ZINC001123006381 1023592179 /nfs/dbraw/zinc/59/21/79/1023592179.db2.gz IXOUIFXLASYDAM-ZBFHGGJFSA-N 1 2 356.499 2.895 20 30 FFEDLO C[N@H+]1CCC[C@H]1c1nnc(N2CCC[C@H](C#N)C2)n1Cc1cccs1 ZINC001123006381 1023592181 /nfs/dbraw/zinc/59/21/81/1023592181.db2.gz IXOUIFXLASYDAM-ZBFHGGJFSA-N 1 2 356.499 2.895 20 30 FFEDLO COC(=O)c1ccc(N[NH+]=Cc2ccccc2N2CCOCC2)c(OC)c1 ZINC000756897886 1023765835 /nfs/dbraw/zinc/76/58/35/1023765835.db2.gz SYBGCNHCONOIRQ-UHFFFAOYSA-N 1 2 369.421 2.764 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)Cc1ccoc1C ZINC001121492348 1023807243 /nfs/dbraw/zinc/80/72/43/1023807243.db2.gz FGCXUTWTEYDCLU-QZTJIDSGSA-N 1 2 371.485 2.928 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)Cc1ccoc1C ZINC001121492348 1023807250 /nfs/dbraw/zinc/80/72/50/1023807250.db2.gz FGCXUTWTEYDCLU-QZTJIDSGSA-N 1 2 371.485 2.928 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2[C@H](C)CCC)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121606683 1023878293 /nfs/dbraw/zinc/87/82/93/1023878293.db2.gz BQWRBQOMPBKTRL-AXVVYFOYSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2[C@H](C)CCC)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001121606683 1023878301 /nfs/dbraw/zinc/87/83/01/1023878301.db2.gz BQWRBQOMPBKTRL-AXVVYFOYSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCn1c([C@@H](O)C(C)C)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001121659166 1023908558 /nfs/dbraw/zinc/90/85/58/1023908558.db2.gz CSTGHSKNGMTKOL-SFHVURJKSA-N 1 2 373.476 2.615 20 30 FFEDLO COc1ccc(C[NH2+][C@H](C)c2nnnn2C2CC2)cc1OCCCC#N ZINC000191827358 1023926751 /nfs/dbraw/zinc/92/67/51/1023926751.db2.gz UJXPCNZCQNMTJC-CYBMUJFWSA-N 1 2 356.430 2.550 20 30 FFEDLO C#CC[C@H](CC)c1nnc(N2CC[NH+](Cc3ccccn3)CC2)n1CC ZINC001121746498 1023966836 /nfs/dbraw/zinc/96/68/36/1023966836.db2.gz XCISSLSETRVKAL-KRWDZBQOSA-N 1 2 352.486 2.532 20 30 FFEDLO COc1cc(N2CC[NH+](CC#Cc3ccccc3)CC2)cc(OC)c1OC ZINC000192187212 1024015387 /nfs/dbraw/zinc/01/53/87/1024015387.db2.gz JIXHJBQAESUMBK-UHFFFAOYSA-N 1 2 366.461 2.886 20 30 FFEDLO Cc1nn(C)c(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001095837201 1024249128 /nfs/dbraw/zinc/24/91/28/1024249128.db2.gz UVRQIDVIVRDEOH-COXVUDFISA-N 1 2 369.494 2.505 20 30 FFEDLO Cc1nn(C)c(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001095837201 1024249144 /nfs/dbraw/zinc/24/91/44/1024249144.db2.gz UVRQIDVIVRDEOH-COXVUDFISA-N 1 2 369.494 2.505 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOc1ccccc1OC)C2 ZINC001111351650 1024270242 /nfs/dbraw/zinc/27/02/42/1024270242.db2.gz BWAAYUGLRBZCKU-OAGGEKHMSA-N 1 2 364.873 2.938 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOc1ccccc1OC)C2 ZINC001111351650 1024270251 /nfs/dbraw/zinc/27/02/51/1024270251.db2.gz BWAAYUGLRBZCKU-OAGGEKHMSA-N 1 2 364.873 2.938 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)cc1 ZINC001124075906 1024273308 /nfs/dbraw/zinc/27/33/08/1024273308.db2.gz VQFQFYYUFLQDDF-HXUWFJFHSA-N 1 2 363.465 2.731 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001101336727 1024484259 /nfs/dbraw/zinc/48/42/59/1024484259.db2.gz NUSNGNTXHZZHRP-KKVAFCGZSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001101336727 1024484263 /nfs/dbraw/zinc/48/42/63/1024484263.db2.gz NUSNGNTXHZZHRP-KKVAFCGZSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001101337511 1024486865 /nfs/dbraw/zinc/48/68/65/1024486865.db2.gz BUBJUMDIYJRSNG-HLIPFELVSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001101337511 1024486872 /nfs/dbraw/zinc/48/68/72/1024486872.db2.gz BUBJUMDIYJRSNG-HLIPFELVSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(OC)c2C)CC1 ZINC000951699618 1024661127 /nfs/dbraw/zinc/66/11/27/1024661127.db2.gz JJZUVYFQISVBBG-ICSRJNTNSA-N 1 2 358.482 2.629 20 30 FFEDLO C[C@@H](ON=C(N)c1cccc(C[NH+]2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000194628327 1024869077 /nfs/dbraw/zinc/86/90/77/1024869077.db2.gz GNYPEYHKMQRMBB-MRXNPFEDSA-N 1 2 364.449 2.789 20 30 FFEDLO CN(C)c1[nH+]ccc2cc(NC(=O)NCC#C[C@@H]3CCCCO3)ccc21 ZINC001218625168 1033252613 /nfs/dbraw/zinc/25/26/13/1033252613.db2.gz KLBIBYLWUCVFEH-KRWDZBQOSA-N 1 2 352.438 2.995 20 30 FFEDLO CCN(C(=O)[C@@H]1C[C@H]1C1CC1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000952442013 1025020604 /nfs/dbraw/zinc/02/06/04/1025020604.db2.gz UQDBNZGRGILMJI-VQTJNVASSA-N 1 2 353.466 2.668 20 30 FFEDLO CC(C)c1nnc(C[N@H+]2C[C@@H](CNC(=O)C#CC(C)(C)C)[C@H](C)C2)s1 ZINC001101955122 1025212292 /nfs/dbraw/zinc/21/22/92/1025212292.db2.gz TZTRRNRNJJFPNG-HUUCEWRRSA-N 1 2 362.543 2.895 20 30 FFEDLO CC(C)c1nnc(C[N@@H+]2C[C@@H](CNC(=O)C#CC(C)(C)C)[C@H](C)C2)s1 ZINC001101955122 1025212296 /nfs/dbraw/zinc/21/22/96/1025212296.db2.gz TZTRRNRNJJFPNG-HUUCEWRRSA-N 1 2 362.543 2.895 20 30 FFEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(n2nnc3ccccc3c2=O)CC1 ZINC001141167108 1025553708 /nfs/dbraw/zinc/55/37/08/1025553708.db2.gz ZVJHXZPEGIZYAQ-UHFFFAOYSA-N 1 2 363.396 2.639 20 30 FFEDLO Cc1nnc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)[nH]1 ZINC000839660912 1026780935 /nfs/dbraw/zinc/78/09/35/1026780935.db2.gz ZQKDUMHIPAJHIQ-DOTOQJQBSA-N 1 2 366.469 2.546 20 30 FFEDLO Cc1nnc([C@@H]2CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)[nH]1 ZINC000839660912 1026780943 /nfs/dbraw/zinc/78/09/43/1026780943.db2.gz ZQKDUMHIPAJHIQ-DOTOQJQBSA-N 1 2 366.469 2.546 20 30 FFEDLO Cc1n[nH]c([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)n1 ZINC000839660912 1026780951 /nfs/dbraw/zinc/78/09/51/1026780951.db2.gz ZQKDUMHIPAJHIQ-DOTOQJQBSA-N 1 2 366.469 2.546 20 30 FFEDLO Cc1n[nH]c([C@@H]2CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)n1 ZINC000839660912 1026780958 /nfs/dbraw/zinc/78/09/58/1026780958.db2.gz ZQKDUMHIPAJHIQ-DOTOQJQBSA-N 1 2 366.469 2.546 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nn1 ZINC000640775484 1026934795 /nfs/dbraw/zinc/93/47/95/1026934795.db2.gz LHXDRVWTGDJMTO-LBPRGKRZSA-N 1 2 365.359 2.610 20 30 FFEDLO CC#CC[NH2+]Cc1cn(Cc2csc(COc3ccc(F)cc3)n2)nn1 ZINC000640882410 1026996519 /nfs/dbraw/zinc/99/65/19/1026996519.db2.gz YVNWPAFSNXHEQC-UHFFFAOYSA-N 1 2 371.441 2.614 20 30 FFEDLO CS(=O)(=O)c1ccc(C2CCN(c3cc(CC#N)cc[nH+]3)CC2)cc1 ZINC001158531700 1027054463 /nfs/dbraw/zinc/05/44/63/1027054463.db2.gz NBDDBVXJLCMJEV-UHFFFAOYSA-N 1 2 355.463 2.935 20 30 FFEDLO Cc1nc(C#N)cc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)n1 ZINC001158552737 1027058779 /nfs/dbraw/zinc/05/87/79/1027058779.db2.gz USTPUZRFWXWDLY-MRXNPFEDSA-N 1 2 361.371 2.910 20 30 FFEDLO Cc1nc(C#N)cc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)n1 ZINC001158552737 1027058783 /nfs/dbraw/zinc/05/87/83/1027058783.db2.gz USTPUZRFWXWDLY-MRXNPFEDSA-N 1 2 361.371 2.910 20 30 FFEDLO CSc1nc(C[NH+]2CCC(Oc3nccc(C)n3)CC2)ccc1C#N ZINC001141945988 1027200818 /nfs/dbraw/zinc/20/08/18/1027200818.db2.gz VQXOFTQOSGCKBO-UHFFFAOYSA-N 1 2 355.467 2.817 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC(=O)OCC)c2ccccc21 ZINC001159167605 1027294621 /nfs/dbraw/zinc/29/46/21/1027294621.db2.gz XPZQWGOWIRMENG-LPHOPBHVSA-N 1 2 354.450 2.558 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC(=O)OCC)c2ccccc21 ZINC001159167605 1027294630 /nfs/dbraw/zinc/29/46/30/1027294630.db2.gz XPZQWGOWIRMENG-LPHOPBHVSA-N 1 2 354.450 2.558 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1ccc3[nH]c(C#N)cc3n1)C[NH2+]C2(C)C ZINC001159661363 1027459256 /nfs/dbraw/zinc/45/92/56/1027459256.db2.gz KHTHCZYYIIDSBJ-UHFFFAOYSA-N 1 2 365.397 2.718 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1nccc(Cl)c1C#N)C[NH2+]C2(C)C ZINC001159659978 1027459991 /nfs/dbraw/zinc/45/99/91/1027459991.db2.gz RBASVININSFOIQ-UHFFFAOYSA-N 1 2 360.805 2.890 20 30 FFEDLO N#Cc1cc(C(F)(F)NCC[NH+]2CCC(F)(F)CC2)cc(Cl)n1 ZINC001160749208 1027856968 /nfs/dbraw/zinc/85/69/68/1027856968.db2.gz MVGNFPBVHHNMRZ-UHFFFAOYSA-N 1 2 350.747 2.977 20 30 FFEDLO N#Cc1cncc(CNc2cc(N3CCN(c4ccccc4)CC3)nc[nH+]2)c1 ZINC001160995894 1027963571 /nfs/dbraw/zinc/96/35/71/1027963571.db2.gz VWQWOGSUPDZOGN-UHFFFAOYSA-N 1 2 371.448 2.682 20 30 FFEDLO N#Cc1cncc(CNc2cc(N3CCN(c4ccccc4)CC3)[nH+]cn2)c1 ZINC001160995894 1027963584 /nfs/dbraw/zinc/96/35/84/1027963584.db2.gz VWQWOGSUPDZOGN-UHFFFAOYSA-N 1 2 371.448 2.682 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC1=CC[N@H+](CC(=C)Br)CC1 ZINC001161277835 1028110322 /nfs/dbraw/zinc/11/03/22/1028110322.db2.gz AQEVOSJVCCHUJO-CVEARBPZSA-N 1 2 369.303 2.625 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC(=C)Br)CC1 ZINC001161277835 1028110332 /nfs/dbraw/zinc/11/03/32/1028110332.db2.gz AQEVOSJVCCHUJO-CVEARBPZSA-N 1 2 369.303 2.625 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1=CC[N@H+](Cc2ncc(C)o2)CC1 ZINC001161444974 1028178199 /nfs/dbraw/zinc/17/81/99/1028178199.db2.gz OCXRYFFHCBLNOM-HKUYNNGSSA-N 1 2 359.470 2.603 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1=CC[N@@H+](Cc2ncc(C)o2)CC1 ZINC001161444974 1028178207 /nfs/dbraw/zinc/17/82/07/1028178207.db2.gz OCXRYFFHCBLNOM-HKUYNNGSSA-N 1 2 359.470 2.603 20 30 FFEDLO N#Cc1cc(N2CC([NH+]3CCN(c4ccccn4)CC3)C2)nc2ccccc12 ZINC001154659319 1028394627 /nfs/dbraw/zinc/39/46/27/1028394627.db2.gz NAUPPENYNQLXAG-UHFFFAOYSA-N 1 2 370.460 2.512 20 30 FFEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCCC(=O)N(C)C2CC2)[nH+]1 ZINC001162625294 1028603330 /nfs/dbraw/zinc/60/33/30/1028603330.db2.gz ZGUBHSJEXZDDOO-XSVRQMNWSA-N 1 2 364.515 2.694 20 30 FFEDLO CC(C)c1nnc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)o1 ZINC001111741545 1029306760 /nfs/dbraw/zinc/30/67/60/1029306760.db2.gz DMAJMDHSFIIDFO-YWZLYKJASA-N 1 2 358.486 2.713 20 30 FFEDLO CC(C)c1nnc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)o1 ZINC001111741545 1029306777 /nfs/dbraw/zinc/30/67/77/1029306777.db2.gz DMAJMDHSFIIDFO-YWZLYKJASA-N 1 2 358.486 2.713 20 30 FFEDLO CC(C)(C)c1cnc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)o1 ZINC001111741807 1029308683 /nfs/dbraw/zinc/30/86/83/1029308683.db2.gz QAJNYKPGILJULH-KKSFZXQISA-N 1 2 355.482 2.856 20 30 FFEDLO CC(C)(C)c1cnc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)o1 ZINC001111741807 1029308698 /nfs/dbraw/zinc/30/86/98/1029308698.db2.gz QAJNYKPGILJULH-KKSFZXQISA-N 1 2 355.482 2.856 20 30 FFEDLO N#Cc1c[nH]c2c1cccc2C(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001157167931 1029490619 /nfs/dbraw/zinc/49/06/19/1029490619.db2.gz LZQZVKPEGDUNBZ-INIZCTEOSA-N 1 2 358.392 2.985 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(CC)s1)C2 ZINC001111846233 1029608973 /nfs/dbraw/zinc/60/89/73/1029608973.db2.gz WWAFVWVLYMEMOE-KXBFYZLASA-N 1 2 360.527 2.765 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(CC)s1)C2 ZINC001111846233 1029608979 /nfs/dbraw/zinc/60/89/79/1029608979.db2.gz WWAFVWVLYMEMOE-KXBFYZLASA-N 1 2 360.527 2.765 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1nnc(CC)[nH]1)C2 ZINC001111845921 1029609330 /nfs/dbraw/zinc/60/93/30/1029609330.db2.gz HZFLVANQUOZXKJ-FTRWYGJKSA-N 1 2 357.502 2.592 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1nnc(CC)[nH]1)C2 ZINC001111845921 1029609336 /nfs/dbraw/zinc/60/93/36/1029609336.db2.gz HZFLVANQUOZXKJ-FTRWYGJKSA-N 1 2 357.502 2.592 20 30 FFEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(C#N)cn3)c2C1 ZINC000782730580 1029800134 /nfs/dbraw/zinc/80/01/34/1029800134.db2.gz HEVLIHQDKHJMLS-UHFFFAOYSA-N 1 2 371.444 2.809 20 30 FFEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(C#N)cn3)c2C1 ZINC000782730580 1029800145 /nfs/dbraw/zinc/80/01/45/1029800145.db2.gz HEVLIHQDKHJMLS-UHFFFAOYSA-N 1 2 371.444 2.809 20 30 FFEDLO C=CCCN(OCc1ccccc1)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000782917643 1029853225 /nfs/dbraw/zinc/85/32/25/1029853225.db2.gz BWQPISUAVADABZ-UHFFFAOYSA-N 1 2 374.529 2.732 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccn(C(C)C)n2)C1 ZINC001112100046 1030001986 /nfs/dbraw/zinc/00/19/86/1030001986.db2.gz ZKDDTQSCDGFLEL-HZPDHXFCSA-N 1 2 370.419 2.602 20 30 FFEDLO N#Cc1cc(Cl)cc(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)n1 ZINC001165690562 1030085786 /nfs/dbraw/zinc/08/57/86/1030085786.db2.gz DXMGRRAQDGHPCD-CQSZACIVSA-N 1 2 357.845 2.866 20 30 FFEDLO N#Cc1cnc(Cl)cc1N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001165692629 1030089042 /nfs/dbraw/zinc/08/90/42/1030089042.db2.gz WIKJYQKBBBRWGM-AWEZNQCLSA-N 1 2 357.845 2.866 20 30 FFEDLO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cnc(Cl)nc1NC)C2 ZINC001142482430 1030511575 /nfs/dbraw/zinc/51/15/75/1030511575.db2.gz GKSHRNWWLKPEJW-GOSISDBHSA-N 1 2 363.893 2.705 20 30 FFEDLO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1cnc(Cl)nc1NC)C2 ZINC001142482430 1030511584 /nfs/dbraw/zinc/51/15/84/1030511584.db2.gz GKSHRNWWLKPEJW-GOSISDBHSA-N 1 2 363.893 2.705 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCCN(c3ncccc3F)CC2)c1C#N ZINC000784409499 1030608540 /nfs/dbraw/zinc/60/85/40/1030608540.db2.gz CLOUQXCVMLEUIQ-UHFFFAOYSA-N 1 2 368.412 2.591 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCCN(c3ncccc3F)CC2)c1C#N ZINC000784409499 1030608545 /nfs/dbraw/zinc/60/85/45/1030608545.db2.gz CLOUQXCVMLEUIQ-UHFFFAOYSA-N 1 2 368.412 2.591 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(F)cc(OCC)cc1F ZINC001276407765 1030651353 /nfs/dbraw/zinc/65/13/53/1030651353.db2.gz FYAOIMUQRXGCDI-FQEVSTJZSA-N 1 2 362.420 2.954 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(F)cc(OCC)cc1F ZINC001276407765 1030651359 /nfs/dbraw/zinc/65/13/59/1030651359.db2.gz FYAOIMUQRXGCDI-FQEVSTJZSA-N 1 2 362.420 2.954 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cc(OC)cc(C(F)(F)F)c2)C1=O ZINC001276409967 1030687647 /nfs/dbraw/zinc/68/76/47/1030687647.db2.gz VBUVJLHUIULDGT-GOSISDBHSA-N 1 2 366.383 2.914 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(OC)cc(C(F)(F)F)c2)C1=O ZINC001276409967 1030687655 /nfs/dbraw/zinc/68/76/55/1030687655.db2.gz VBUVJLHUIULDGT-GOSISDBHSA-N 1 2 366.383 2.914 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2c(OC)cc(OC)cc2OC)C1 ZINC001203518485 1030740742 /nfs/dbraw/zinc/74/07/42/1030740742.db2.gz HGEZXULBJWBWJC-CQSZACIVSA-N 1 2 364.442 2.589 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2c(OC)cc(OC)cc2OC)C1 ZINC001203518485 1030740760 /nfs/dbraw/zinc/74/07/60/1030740760.db2.gz HGEZXULBJWBWJC-CQSZACIVSA-N 1 2 364.442 2.589 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(C#N)c1 ZINC001203757592 1030869416 /nfs/dbraw/zinc/86/94/16/1030869416.db2.gz PESFPKBNDYDCBI-ROUUACIJSA-N 1 2 357.454 2.768 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(C#N)c1 ZINC001203757592 1030869435 /nfs/dbraw/zinc/86/94/35/1030869435.db2.gz PESFPKBNDYDCBI-ROUUACIJSA-N 1 2 357.454 2.768 20 30 FFEDLO CC(=O)[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3c(Cl)cccc3C#N)C2)C1=O ZINC001276437206 1031054962 /nfs/dbraw/zinc/05/49/62/1031054962.db2.gz NXRSPCRDESRCGB-ORAYPTAESA-N 1 2 359.857 2.614 20 30 FFEDLO CC(=O)[C@H](C)N1CC[C@@]2(CC[N@@H+](Cc3c(Cl)cccc3C#N)C2)C1=O ZINC001276437206 1031054979 /nfs/dbraw/zinc/05/49/79/1031054979.db2.gz NXRSPCRDESRCGB-ORAYPTAESA-N 1 2 359.857 2.614 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cccc(C(=O)OC)c1 ZINC001204665738 1031404197 /nfs/dbraw/zinc/40/41/97/1031404197.db2.gz LFKKUOPLQQZKIS-SFHVURJKSA-N 1 2 355.438 2.509 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cccc(C(=O)OC)c1 ZINC001204665738 1031404202 /nfs/dbraw/zinc/40/42/02/1031404202.db2.gz LFKKUOPLQQZKIS-SFHVURJKSA-N 1 2 355.438 2.509 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)/C=C\c1ccco1 ZINC001205759607 1031976941 /nfs/dbraw/zinc/97/69/41/1031976941.db2.gz FNKZMQATGAOWKY-OTDGITGUSA-N 1 2 353.397 2.940 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)/C=C\c1ccco1 ZINC001205759607 1031976955 /nfs/dbraw/zinc/97/69/55/1031976955.db2.gz FNKZMQATGAOWKY-OTDGITGUSA-N 1 2 353.397 2.940 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cn(CC4CC4)nn3)[C@H]2C1 ZINC001223338125 1033401521 /nfs/dbraw/zinc/40/15/21/1033401521.db2.gz IGNXKXKQUGWFHI-POAQFYNOSA-N 1 2 371.529 2.713 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(CC4CC4)nn3)[C@H]2C1 ZINC001223338125 1033401529 /nfs/dbraw/zinc/40/15/29/1033401529.db2.gz IGNXKXKQUGWFHI-POAQFYNOSA-N 1 2 371.529 2.713 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001276890353 1033444015 /nfs/dbraw/zinc/44/40/15/1033444015.db2.gz ANZNXJGXEAXZCW-UHOSZYNNSA-N 1 2 353.466 2.694 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001276890353 1033444018 /nfs/dbraw/zinc/44/40/18/1033444018.db2.gz ANZNXJGXEAXZCW-UHOSZYNNSA-N 1 2 353.466 2.694 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C)[C@H]2C1 ZINC001223587510 1033506696 /nfs/dbraw/zinc/50/66/96/1033506696.db2.gz ZCIHMTCKFHCKRQ-WBVHZDCISA-N 1 2 371.529 2.718 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CC4)n3C)[C@H]2C1 ZINC001223587510 1033506700 /nfs/dbraw/zinc/50/67/00/1033506700.db2.gz ZCIHMTCKFHCKRQ-WBVHZDCISA-N 1 2 371.529 2.718 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1c(F)cc(C)cc1F)C2 ZINC001276905841 1033521555 /nfs/dbraw/zinc/52/15/55/1033521555.db2.gz AGEWJCHWJAWGQN-HXUWFJFHSA-N 1 2 364.436 2.900 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c(F)cc(C)cc1F)C2 ZINC001276905841 1033521563 /nfs/dbraw/zinc/52/15/63/1033521563.db2.gz AGEWJCHWJAWGQN-HXUWFJFHSA-N 1 2 364.436 2.900 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]3CC[N@@H+](Cc4cn(C)nn4)[C@H]3C2)CCCCC1 ZINC001223674856 1033546113 /nfs/dbraw/zinc/54/61/13/1033546113.db2.gz PFFMMNHYUUNVOE-MJGOQNOKSA-N 1 2 371.529 2.765 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]3CC[N@H+](Cc4cn(C)nn4)[C@H]3C2)CCCCC1 ZINC001223674856 1033546121 /nfs/dbraw/zinc/54/61/21/1033546121.db2.gz PFFMMNHYUUNVOE-MJGOQNOKSA-N 1 2 371.529 2.765 20 30 FFEDLO CCCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001219560581 1033690008 /nfs/dbraw/zinc/69/00/08/1033690008.db2.gz HSDPPVVOAMIABM-LZQZEXGQSA-N 1 2 362.901 2.679 20 30 FFEDLO CCCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001219560581 1033690012 /nfs/dbraw/zinc/69/00/12/1033690012.db2.gz HSDPPVVOAMIABM-LZQZEXGQSA-N 1 2 362.901 2.679 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccc(C)cc3)no2)C[C@@H]1O ZINC001219720225 1033787726 /nfs/dbraw/zinc/78/77/26/1033787726.db2.gz GOTFRPZXTXDLKU-UXHICEINSA-N 1 2 369.465 2.668 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccc(C)cc3)no2)C[C@@H]1O ZINC001219720225 1033787740 /nfs/dbraw/zinc/78/77/40/1033787740.db2.gz GOTFRPZXTXDLKU-UXHICEINSA-N 1 2 369.465 2.668 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC001138248246 1034016312 /nfs/dbraw/zinc/01/63/12/1034016312.db2.gz YSNCPXROBCKNRA-ZDUSSCGKSA-N 1 2 352.818 2.945 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC001138248246 1034016317 /nfs/dbraw/zinc/01/63/17/1034016317.db2.gz YSNCPXROBCKNRA-ZDUSSCGKSA-N 1 2 352.818 2.945 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001220182774 1034027186 /nfs/dbraw/zinc/02/71/86/1034027186.db2.gz PGJJYFOBRJIEPN-SJORKVTESA-N 1 2 368.399 2.560 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001220182774 1034027194 /nfs/dbraw/zinc/02/71/94/1034027194.db2.gz PGJJYFOBRJIEPN-SJORKVTESA-N 1 2 368.399 2.560 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)c(OC)c2)C[C@@H]1O ZINC001220205656 1034045967 /nfs/dbraw/zinc/04/59/67/1034045967.db2.gz IFILERNSUCEDCU-XKQJLSEDSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(OC)c2)C[C@@H]1O ZINC001220205656 1034045982 /nfs/dbraw/zinc/04/59/82/1034045982.db2.gz IFILERNSUCEDCU-XKQJLSEDSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)c2ccc(F)cc2F)C[C@@H]1O ZINC001220247746 1034069495 /nfs/dbraw/zinc/06/94/95/1034069495.db2.gz ROKBDFXGCYLTDP-SQNIBIBYSA-N 1 2 352.425 2.934 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)c2ccc(F)cc2F)C[C@@H]1O ZINC001220247746 1034069505 /nfs/dbraw/zinc/06/95/05/1034069505.db2.gz ROKBDFXGCYLTDP-SQNIBIBYSA-N 1 2 352.425 2.934 20 30 FFEDLO CC(C)CCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001220579915 1034266345 /nfs/dbraw/zinc/26/63/45/1034266345.db2.gz QROHFCJKROJOMB-UXHICEINSA-N 1 2 360.473 2.555 20 30 FFEDLO CC(C)CCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001220579915 1034266349 /nfs/dbraw/zinc/26/63/49/1034266349.db2.gz QROHFCJKROJOMB-UXHICEINSA-N 1 2 360.473 2.555 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2cccc(Oc3ncccn3)c2)CC1 ZINC001138623550 1034476009 /nfs/dbraw/zinc/47/60/09/1034476009.db2.gz IQKQAAUFKDXTDG-UHFFFAOYSA-N 1 2 352.394 2.548 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cnc(SCC)nc3)C2)CC1 ZINC001138649572 1034506710 /nfs/dbraw/zinc/50/67/10/1034506710.db2.gz HCDKIZCDBHKPQP-UHFFFAOYSA-N 1 2 362.499 2.809 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1O)c1ccccc1 ZINC001221042245 1034519164 /nfs/dbraw/zinc/51/91/64/1034519164.db2.gz GNCCJRNTNGJMQN-DQLDELGASA-N 1 2 368.452 2.847 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1O)c1ccccc1 ZINC001221042245 1034519167 /nfs/dbraw/zinc/51/91/67/1034519167.db2.gz GNCCJRNTNGJMQN-DQLDELGASA-N 1 2 368.452 2.847 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)CCCCC1 ZINC001221048426 1034524878 /nfs/dbraw/zinc/52/48/78/1034524878.db2.gz QPTNJWVJVAADJJ-UXHICEINSA-N 1 2 354.494 2.560 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)CCCCC1 ZINC001221048426 1034524889 /nfs/dbraw/zinc/52/48/89/1034524889.db2.gz QPTNJWVJVAADJJ-UXHICEINSA-N 1 2 354.494 2.560 20 30 FFEDLO C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 ZINC001221294531 1034654341 /nfs/dbraw/zinc/65/43/41/1034654341.db2.gz VYCJOUHVSTWJGM-WOSRLPQWSA-N 1 2 365.449 2.815 20 30 FFEDLO C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 ZINC001221294531 1034654350 /nfs/dbraw/zinc/65/43/50/1034654350.db2.gz VYCJOUHVSTWJGM-WOSRLPQWSA-N 1 2 365.449 2.815 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221395491 1034711047 /nfs/dbraw/zinc/71/10/47/1034711047.db2.gz AIDDCGRTPQQQDI-PWIZWCRZSA-N 1 2 355.482 2.652 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221395491 1034711059 /nfs/dbraw/zinc/71/10/59/1034711059.db2.gz AIDDCGRTPQQQDI-PWIZWCRZSA-N 1 2 355.482 2.652 20 30 FFEDLO CSc1sccc1C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001277135229 1034721612 /nfs/dbraw/zinc/72/16/12/1034721612.db2.gz GZEDZDYBYHYWEL-UHFFFAOYSA-N 1 2 372.519 2.638 20 30 FFEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccc(Oc3ncccn3)cc2)CC1 ZINC001139082874 1034922681 /nfs/dbraw/zinc/92/26/81/1034922681.db2.gz DLBGTBQCUCHQDJ-UHFFFAOYSA-N 1 2 366.421 2.938 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(Oc3ncccn3)cc2)CC1 ZINC001139082297 1034922848 /nfs/dbraw/zinc/92/28/48/1034922848.db2.gz MICOOIMTVQLXDN-UHFFFAOYSA-N 1 2 352.394 2.548 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC(C)C)s3)[C@@H]2C1 ZINC001221623248 1034925586 /nfs/dbraw/zinc/92/55/86/1034925586.db2.gz GIDIDBMSKSAWFL-SJLPKXTDSA-N 1 2 360.523 2.743 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC(C)C)s3)[C@@H]2C1 ZINC001221623248 1034925593 /nfs/dbraw/zinc/92/55/93/1034925593.db2.gz GIDIDBMSKSAWFL-SJLPKXTDSA-N 1 2 360.523 2.743 20 30 FFEDLO CCCCc1ccc(C[NH+]2CC3(C2)COCC(=O)N3CCCC#N)cc1 ZINC001277179265 1034928520 /nfs/dbraw/zinc/92/85/20/1034928520.db2.gz ISFIKIAKNBNPNH-UHFFFAOYSA-N 1 2 355.482 2.746 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)COCC3CCCC3)[C@@H]2C1 ZINC001221626181 1034929222 /nfs/dbraw/zinc/92/92/22/1034929222.db2.gz UXIJFOWVCRNDLT-NHCUHLMSSA-N 1 2 367.493 2.798 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)COCC3CCCC3)[C@@H]2C1 ZINC001221626181 1034929232 /nfs/dbraw/zinc/92/92/32/1034929232.db2.gz UXIJFOWVCRNDLT-NHCUHLMSSA-N 1 2 367.493 2.798 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccc(C)cc3)C[C@H]21 ZINC001221748185 1035036323 /nfs/dbraw/zinc/03/63/23/1035036323.db2.gz PQRHWVKVRPGJKE-UYAOXDASSA-N 1 2 367.493 2.660 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccc(C)cc3)C[C@H]21 ZINC001221748185 1035036333 /nfs/dbraw/zinc/03/63/33/1035036333.db2.gz PQRHWVKVRPGJKE-UYAOXDASSA-N 1 2 367.493 2.660 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221754473 1035039930 /nfs/dbraw/zinc/03/99/30/1035039930.db2.gz KWKKFNCTLZZOAF-YLJYHZDGSA-N 1 2 353.441 2.924 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221754473 1035039935 /nfs/dbraw/zinc/03/99/35/1035039935.db2.gz KWKKFNCTLZZOAF-YLJYHZDGSA-N 1 2 353.441 2.924 20 30 FFEDLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139428319 1035102980 /nfs/dbraw/zinc/10/29/80/1035102980.db2.gz BDYGLCDTOUCSMJ-SFHVURJKSA-N 1 2 350.422 2.846 20 30 FFEDLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139428319 1035102984 /nfs/dbraw/zinc/10/29/84/1035102984.db2.gz BDYGLCDTOUCSMJ-SFHVURJKSA-N 1 2 350.422 2.846 20 30 FFEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC2(C[C@H]2C(=O)N2CCOCC2)CC1 ZINC001139689969 1035198697 /nfs/dbraw/zinc/19/86/97/1035198697.db2.gz ZUDCKPKNAUVNRS-KRWDZBQOSA-N 1 2 373.884 2.673 20 30 FFEDLO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4cnc(Cl)nc4)C3)CC2=O)c1 ZINC001139990040 1035299488 /nfs/dbraw/zinc/29/94/88/1035299488.db2.gz FHRAQCVYGHDUCJ-IBGZPJMESA-N 1 2 367.840 2.631 20 30 FFEDLO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4cnc(Cl)nc4)C3)CC2=O)c1 ZINC001139990040 1035299493 /nfs/dbraw/zinc/29/94/93/1035299493.db2.gz FHRAQCVYGHDUCJ-IBGZPJMESA-N 1 2 367.840 2.631 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)cn1 ZINC001140543895 1035599908 /nfs/dbraw/zinc/59/99/08/1035599908.db2.gz UKEUNDIRYSSDCI-GHTZIAJQSA-N 1 2 364.449 2.798 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)cn1 ZINC001140543895 1035599919 /nfs/dbraw/zinc/59/99/19/1035599919.db2.gz UKEUNDIRYSSDCI-GHTZIAJQSA-N 1 2 364.449 2.798 20 30 FFEDLO N#Cc1ccc(Cl)c(CN2CC([NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001140602046 1035706776 /nfs/dbraw/zinc/70/67/76/1035706776.db2.gz AZNYMGMDBIXFMF-UHFFFAOYSA-N 1 2 367.884 2.613 20 30 FFEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(CC1)CN(CC1CC1)C(=O)CO2 ZINC001232607415 1035862759 /nfs/dbraw/zinc/86/27/59/1035862759.db2.gz IGUKNCWDXSWNFI-UHFFFAOYSA-N 1 2 373.884 2.815 20 30 FFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001232606735 1035863947 /nfs/dbraw/zinc/86/39/47/1035863947.db2.gz ZGWCINNWCVHRDL-CVAIRZPRSA-N 1 2 373.884 2.813 20 30 FFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001232606735 1035863963 /nfs/dbraw/zinc/86/39/63/1035863963.db2.gz ZGWCINNWCVHRDL-CVAIRZPRSA-N 1 2 373.884 2.813 20 30 FFEDLO Cc1noc(C[C@H]2C[C@H]3C[N@H+](Cc4ccc(Cl)cc4C#N)C[C@H]3O2)n1 ZINC001232606944 1035864209 /nfs/dbraw/zinc/86/42/09/1035864209.db2.gz DLIFWXKDHRMSRE-USXIJHARSA-N 1 2 358.829 2.735 20 30 FFEDLO Cc1noc(C[C@H]2C[C@H]3C[N@@H+](Cc4ccc(Cl)cc4C#N)C[C@H]3O2)n1 ZINC001232606944 1035864230 /nfs/dbraw/zinc/86/42/30/1035864230.db2.gz DLIFWXKDHRMSRE-USXIJHARSA-N 1 2 358.829 2.735 20 30 FFEDLO N#Cc1ccc2c(c1)C[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC001536352193 1069960582 /nfs/dbraw/zinc/96/05/82/1069960582.db2.gz ISPLRNZFSJDJPH-QGZVFWFLSA-N 1 2 373.372 2.549 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1cccc(C)c1OC(C)C)C2 ZINC001277706450 1035980749 /nfs/dbraw/zinc/98/07/49/1035980749.db2.gz WXBWCHHFNKIQAU-UHFFFAOYSA-N 1 2 358.482 2.772 20 30 FFEDLO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cc(Cl)ncc1O)CC2 ZINC001233033083 1036272484 /nfs/dbraw/zinc/27/24/84/1036272484.db2.gz YZJWAUORVQSXRF-UHFFFAOYSA-N 1 2 351.834 2.661 20 30 FFEDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)c(F)c1C#N ZINC001233098269 1036342932 /nfs/dbraw/zinc/34/29/32/1036342932.db2.gz HWBMACOFGHRIQV-UKRRQHHQSA-N 1 2 359.367 2.899 20 30 FFEDLO CN(C)c1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)c(F)c1C#N ZINC001233098269 1036342948 /nfs/dbraw/zinc/34/29/48/1036342948.db2.gz HWBMACOFGHRIQV-UKRRQHHQSA-N 1 2 359.367 2.899 20 30 FFEDLO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c(F)c1C#N ZINC001233101470 1036346013 /nfs/dbraw/zinc/34/60/13/1036346013.db2.gz ZGPTYVCFHMSJMD-GOSISDBHSA-N 1 2 358.461 2.740 20 30 FFEDLO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c(F)c1C#N ZINC001233101470 1036346022 /nfs/dbraw/zinc/34/60/22/1036346022.db2.gz ZGPTYVCFHMSJMD-GOSISDBHSA-N 1 2 358.461 2.740 20 30 FFEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000328989654 1036476400 /nfs/dbraw/zinc/47/64/00/1036476400.db2.gz RWRQTNNDJCOKDT-IXDOHACOSA-N 1 2 366.469 2.569 20 30 FFEDLO Cn1cc2c(n1)C[N@@H+](Cc1ccc(C#N)cc1O)C[C@H]2COCC1CC1 ZINC001233385075 1036585241 /nfs/dbraw/zinc/58/52/41/1036585241.db2.gz TZDQAILCEPILGF-KRWDZBQOSA-N 1 2 352.438 2.523 20 30 FFEDLO Cn1cc2c(n1)C[N@H+](Cc1ccc(C#N)cc1O)C[C@H]2COCC1CC1 ZINC001233385075 1036585256 /nfs/dbraw/zinc/58/52/56/1036585256.db2.gz TZDQAILCEPILGF-KRWDZBQOSA-N 1 2 352.438 2.523 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c4ccccc4c([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001229425341 1036666868 /nfs/dbraw/zinc/66/68/68/1036666868.db2.gz YSBAMOLUHATHNU-QYRJOMEZSA-N 1 2 371.349 2.647 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c4ccccc4c([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001229425341 1036666874 /nfs/dbraw/zinc/66/68/74/1036666874.db2.gz YSBAMOLUHATHNU-QYRJOMEZSA-N 1 2 371.349 2.647 20 30 FFEDLO CC(=O)[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)C1=O ZINC001277817766 1036819968 /nfs/dbraw/zinc/81/99/68/1036819968.db2.gz VAGVRAYCBZSRCL-YJYMSZOUSA-N 1 2 359.857 2.614 20 30 FFEDLO CC(=O)[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)C1=O ZINC001277817766 1036819987 /nfs/dbraw/zinc/81/99/87/1036819987.db2.gz VAGVRAYCBZSRCL-YJYMSZOUSA-N 1 2 359.857 2.614 20 30 FFEDLO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206953011 1036976434 /nfs/dbraw/zinc/97/64/34/1036976434.db2.gz NSZKIEVZBVHKFJ-RVKKMQEKSA-N 1 2 364.449 2.648 20 30 FFEDLO C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206953011 1036976450 /nfs/dbraw/zinc/97/64/50/1036976450.db2.gz NSZKIEVZBVHKFJ-RVKKMQEKSA-N 1 2 364.449 2.648 20 30 FFEDLO COc1ccc(Br)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1F ZINC001234312042 1036987663 /nfs/dbraw/zinc/98/76/63/1036987663.db2.gz QGWWMMRFPPALII-QWQQTTKASA-N 1 2 358.207 2.588 20 30 FFEDLO COc1ccc(Br)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1F ZINC001234312042 1036987677 /nfs/dbraw/zinc/98/76/77/1036987677.db2.gz QGWWMMRFPPALII-QWQQTTKASA-N 1 2 358.207 2.588 20 30 FFEDLO CCC[N@@H+]1CCO[C@@H]2c3cc(O[C@H](C#CC(=O)OC)CC)ccc3OC[C@H]21 ZINC001230428189 1037276848 /nfs/dbraw/zinc/27/68/48/1037276848.db2.gz VAGPQXHUFWVMJU-RRMPHLOHSA-N 1 2 373.449 2.565 20 30 FFEDLO CCC[N@H+]1CCO[C@@H]2c3cc(O[C@H](C#CC(=O)OC)CC)ccc3OC[C@H]21 ZINC001230428189 1037276858 /nfs/dbraw/zinc/27/68/58/1037276858.db2.gz VAGPQXHUFWVMJU-RRMPHLOHSA-N 1 2 373.449 2.565 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC[N@@H+](CC(=C)Cl)Cc1cccnc1 ZINC001230849808 1037375419 /nfs/dbraw/zinc/37/54/19/1037375419.db2.gz WZNQPWOTERUISW-MSOLQXFVSA-N 1 2 363.889 2.734 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC[N@H+](CC(=C)Cl)Cc1cccnc1 ZINC001230849808 1037375433 /nfs/dbraw/zinc/37/54/33/1037375433.db2.gz WZNQPWOTERUISW-MSOLQXFVSA-N 1 2 363.889 2.734 20 30 FFEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3cc(Br)c[nH]3)CC2)nc1 ZINC001231576000 1037697890 /nfs/dbraw/zinc/69/78/90/1037697890.db2.gz RZTDKPYUNNGQMF-UHFFFAOYSA-N 1 2 360.259 2.756 20 30 FFEDLO N#Cc1ccc(N2CCC[N@H+](Cc3cc(Br)c[nH]3)CC2)nc1 ZINC001231576000 1037697898 /nfs/dbraw/zinc/69/78/98/1037697898.db2.gz RZTDKPYUNNGQMF-UHFFFAOYSA-N 1 2 360.259 2.756 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001235757257 1037723727 /nfs/dbraw/zinc/72/37/27/1037723727.db2.gz FKJSLTYQGGLURU-NJYVYQBISA-N 1 2 354.494 2.753 20 30 FFEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001235757257 1037723745 /nfs/dbraw/zinc/72/37/45/1037723745.db2.gz FKJSLTYQGGLURU-NJYVYQBISA-N 1 2 354.494 2.753 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+]1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001231619562 1037739164 /nfs/dbraw/zinc/73/91/64/1037739164.db2.gz XICYNNHQLKDULA-GOSISDBHSA-N 1 2 366.465 2.822 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+]1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001231619562 1037739179 /nfs/dbraw/zinc/73/91/79/1037739179.db2.gz XICYNNHQLKDULA-GOSISDBHSA-N 1 2 366.465 2.822 20 30 FFEDLO C#Cc1cccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CC(=O)OC)c1 ZINC001231663352 1037785588 /nfs/dbraw/zinc/78/55/88/1037785588.db2.gz QMQWGHULFPVFEC-SFHVURJKSA-N 1 2 372.465 2.652 20 30 FFEDLO C#Cc1cccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CC(=O)OC)c1 ZINC001231663352 1037785604 /nfs/dbraw/zinc/78/56/04/1037785604.db2.gz QMQWGHULFPVFEC-SFHVURJKSA-N 1 2 372.465 2.652 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2cncc(C)c2)C1 ZINC001207928504 1037859417 /nfs/dbraw/zinc/85/94/17/1037859417.db2.gz HPGYVNTZMZCZCQ-CZUORRHYSA-N 1 2 366.303 2.668 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2cncc(C)c2)C1 ZINC001207928504 1037859428 /nfs/dbraw/zinc/85/94/28/1037859428.db2.gz HPGYVNTZMZCZCQ-CZUORRHYSA-N 1 2 366.303 2.668 20 30 FFEDLO COCC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]2C)CC1 ZINC001207985032 1037920127 /nfs/dbraw/zinc/92/01/27/1037920127.db2.gz MBYCWZZBMPQJKO-CRAIPNDOSA-N 1 2 360.885 2.555 20 30 FFEDLO COCC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]2C)CC1 ZINC001207985032 1037920132 /nfs/dbraw/zinc/92/01/32/1037920132.db2.gz MBYCWZZBMPQJKO-CRAIPNDOSA-N 1 2 360.885 2.555 20 30 FFEDLO CCn1cc2c(n1)C[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C[C@@H]2COC ZINC001231816539 1037928134 /nfs/dbraw/zinc/92/81/34/1037928134.db2.gz AVDZXHPBZOVPND-GOSISDBHSA-N 1 2 367.497 2.999 20 30 FFEDLO CCn1cc2c(n1)C[N@H+](Cc1ccc(N(C)CCC#N)cc1)C[C@@H]2COC ZINC001231816539 1037928141 /nfs/dbraw/zinc/92/81/41/1037928141.db2.gz AVDZXHPBZOVPND-GOSISDBHSA-N 1 2 367.497 2.999 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C)s2)C[C@H]1C ZINC001208150604 1038089652 /nfs/dbraw/zinc/08/96/52/1038089652.db2.gz SJOXUQKLYPJTPL-DDUZABMNSA-N 1 2 351.516 2.617 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)s2)C[C@H]1C ZINC001208150604 1038089674 /nfs/dbraw/zinc/08/96/74/1038089674.db2.gz SJOXUQKLYPJTPL-DDUZABMNSA-N 1 2 351.516 2.617 20 30 FFEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCn3cc(CN4CCOCC4)nc3C2)CC1 ZINC001208175355 1038111576 /nfs/dbraw/zinc/11/15/76/1038111576.db2.gz UVXCZJLFEXIART-LJQANCHMSA-N 1 2 356.514 2.834 20 30 FFEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCn3cc(CN4CCOCC4)nc3C2)CC1 ZINC001208175355 1038111585 /nfs/dbraw/zinc/11/15/85/1038111585.db2.gz UVXCZJLFEXIART-LJQANCHMSA-N 1 2 356.514 2.834 20 30 FFEDLO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4nccnc4Cl)C3)CC2=O)c1 ZINC001236613453 1038155657 /nfs/dbraw/zinc/15/56/57/1038155657.db2.gz XFBBULJMCVDZNV-IBGZPJMESA-N 1 2 367.840 2.631 20 30 FFEDLO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4nccnc4Cl)C3)CC2=O)c1 ZINC001236613453 1038155659 /nfs/dbraw/zinc/15/56/59/1038155659.db2.gz XFBBULJMCVDZNV-IBGZPJMESA-N 1 2 367.840 2.631 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2c(O)ccc(Cl)c2Cl)C1=O ZINC001277992289 1038168368 /nfs/dbraw/zinc/16/83/68/1038168368.db2.gz GQZNUNATPAPNFS-QGZVFWFLSA-N 1 2 353.249 2.899 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC(N3CCCCS3(=O)=O)CC2)cc1Cl ZINC001232119485 1038180716 /nfs/dbraw/zinc/18/07/16/1038180716.db2.gz ZXPUDGLYHRLHAM-UHFFFAOYSA-N 1 2 367.902 2.602 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)c(F)c2)C[C@H]1C ZINC001208318046 1038210558 /nfs/dbraw/zinc/21/05/58/1038210558.db2.gz HAXUXHIKAYJBOO-RHSMWYFYSA-N 1 2 361.461 2.721 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)c(F)c2)C[C@H]1C ZINC001208318046 1038210569 /nfs/dbraw/zinc/21/05/69/1038210569.db2.gz HAXUXHIKAYJBOO-RHSMWYFYSA-N 1 2 361.461 2.721 20 30 FFEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)c(O)cc1F)CC2 ZINC001276567468 1038236011 /nfs/dbraw/zinc/23/60/11/1038236011.db2.gz ZTFHSUASDOXPFR-AWEZNQCLSA-N 1 2 363.408 2.692 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001208395696 1038281727 /nfs/dbraw/zinc/28/17/27/1038281727.db2.gz BULDHHPCIKZXNV-IIDMSEBBSA-N 1 2 361.461 2.803 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001208395696 1038281732 /nfs/dbraw/zinc/28/17/32/1038281732.db2.gz BULDHHPCIKZXNV-IIDMSEBBSA-N 1 2 361.461 2.803 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]2OCC[N@H+](CCc3ccc(C#N)cc3)[C@H]2C1 ZINC001208925599 1038591643 /nfs/dbraw/zinc/59/16/43/1038591643.db2.gz JENXBMWMLAUBRH-RBUKOAKNSA-N 1 2 371.481 2.811 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]2OCC[N@@H+](CCc3ccc(C#N)cc3)[C@H]2C1 ZINC001208925599 1038591648 /nfs/dbraw/zinc/59/16/48/1038591648.db2.gz JENXBMWMLAUBRH-RBUKOAKNSA-N 1 2 371.481 2.811 20 30 FFEDLO C=CCN(CC[NH+]1CC2(C1)CCCN2C(=O)OC(C)(C)C)C(=O)OCC ZINC001209018937 1038634856 /nfs/dbraw/zinc/63/48/56/1038634856.db2.gz HWOUTJBQWGFRDI-UHFFFAOYSA-N 1 2 367.490 2.716 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@](O)(C[N@H+](CCC#N)Cc2ccccc2)C1 ZINC001251366153 1039090311 /nfs/dbraw/zinc/09/03/11/1039090311.db2.gz ZJDHBSFOEPQAJT-HXUWFJFHSA-N 1 2 359.470 2.774 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@](O)(C[N@@H+](CCC#N)Cc2ccccc2)C1 ZINC001251366153 1039090328 /nfs/dbraw/zinc/09/03/28/1039090328.db2.gz ZJDHBSFOEPQAJT-HXUWFJFHSA-N 1 2 359.470 2.774 20 30 FFEDLO N#Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC(F)(F)F)c1O ZINC001279076119 1039187927 /nfs/dbraw/zinc/18/79/27/1039187927.db2.gz ZJLRTCKPCZHANE-OKILXGFUSA-N 1 2 367.371 2.895 20 30 FFEDLO N#Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC(F)(F)F)c1O ZINC001279076119 1039187932 /nfs/dbraw/zinc/18/79/32/1039187932.db2.gz ZJLRTCKPCZHANE-OKILXGFUSA-N 1 2 367.371 2.895 20 30 FFEDLO Cc1ncsc1C[NH+]1CC2(CN(C(=O)c3ccc(Cl)c(C#N)c3)C2)C1 ZINC001279077732 1039216102 /nfs/dbraw/zinc/21/61/02/1039216102.db2.gz UIUBHPBCNTZIQZ-UHFFFAOYSA-N 1 2 372.881 2.935 20 30 FFEDLO CNC(=O)c1cc(C#N)cc(C)c1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209932843 1039294042 /nfs/dbraw/zinc/29/40/42/1039294042.db2.gz QWCDYAZPWKRNQN-UHFFFAOYSA-N 1 2 364.449 2.802 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1Cc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1 ZINC001210121479 1039394007 /nfs/dbraw/zinc/39/40/07/1039394007.db2.gz LWXDYQYJVXJXSV-OAHLLOKOSA-N 1 2 362.355 2.945 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1Cc1ccc(Br)cc1Br ZINC001210120160 1039394050 /nfs/dbraw/zinc/39/40/50/1039394050.db2.gz AISCVMSBTBJRNV-NSHDSACASA-N 1 2 359.065 2.509 20 30 FFEDLO CCCCCCCC[C@H](O)CN[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001252139645 1039446807 /nfs/dbraw/zinc/44/68/07/1039446807.db2.gz QNAYFVVEIDLDKJ-ROUUACIJSA-N 1 2 353.507 2.595 20 30 FFEDLO N#Cc1cc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)ccc1O ZINC001210534076 1039596039 /nfs/dbraw/zinc/59/60/39/1039596039.db2.gz YEFOSPDJNNSVGC-UHFFFAOYSA-N 1 2 350.422 2.528 20 30 FFEDLO C=CCC[C@@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001252603738 1039611526 /nfs/dbraw/zinc/61/15/26/1039611526.db2.gz GDQMYJUGFGBTHN-OLZOCXBDSA-N 1 2 352.397 2.797 20 30 FFEDLO C=CCC[C@@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001252603738 1039611531 /nfs/dbraw/zinc/61/15/31/1039611531.db2.gz GDQMYJUGFGBTHN-OLZOCXBDSA-N 1 2 352.397 2.797 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001253238616 1040062336 /nfs/dbraw/zinc/06/23/36/1040062336.db2.gz SHAROSYDBJFGAR-IAGOWNOFSA-N 1 2 350.507 2.638 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[N@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001253238616 1040062346 /nfs/dbraw/zinc/06/23/46/1040062346.db2.gz SHAROSYDBJFGAR-IAGOWNOFSA-N 1 2 350.507 2.638 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1C[C@@H](O)c1ccc(F)c(F)c1 ZINC001253356980 1040128493 /nfs/dbraw/zinc/12/84/93/1040128493.db2.gz PNKAMBRGGGYWJD-ZWKOTPCHSA-N 1 2 363.408 2.534 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1C[C@@H](O)c1ccc(F)c(F)c1 ZINC001253356980 1040128498 /nfs/dbraw/zinc/12/84/98/1040128498.db2.gz PNKAMBRGGGYWJD-ZWKOTPCHSA-N 1 2 363.408 2.534 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2csc(CCC)n2)C[C@H]1C ZINC001211424744 1040182159 /nfs/dbraw/zinc/18/21/59/1040182159.db2.gz DDKNVAGPGMINFB-IJEWVQPXSA-N 1 2 351.516 2.623 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2csc(CCC)n2)C[C@H]1C ZINC001211424744 1040182166 /nfs/dbraw/zinc/18/21/66/1040182166.db2.gz DDKNVAGPGMINFB-IJEWVQPXSA-N 1 2 351.516 2.623 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1OC ZINC001213269577 1040394439 /nfs/dbraw/zinc/39/44/39/1040394439.db2.gz WMKKYOBAQROLBK-RTBURBONSA-N 1 2 364.436 2.864 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1OC ZINC001213269577 1040394462 /nfs/dbraw/zinc/39/44/62/1040394462.db2.gz WMKKYOBAQROLBK-RTBURBONSA-N 1 2 364.436 2.864 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2OC)C[C@H]1OC ZINC001213320431 1040445127 /nfs/dbraw/zinc/44/51/27/1040445127.db2.gz WJZCRXIOLZYTQI-LSBZLQRGSA-N 1 2 364.461 2.752 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2OC)C[C@H]1OC ZINC001213320431 1040445136 /nfs/dbraw/zinc/44/51/36/1040445136.db2.gz WJZCRXIOLZYTQI-LSBZLQRGSA-N 1 2 364.461 2.752 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1OC ZINC001213322632 1040450046 /nfs/dbraw/zinc/45/00/46/1040450046.db2.gz MANYMXKHGLPGNM-KBAYOESNSA-N 1 2 362.518 2.556 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1OC ZINC001213322632 1040450055 /nfs/dbraw/zinc/45/00/55/1040450055.db2.gz MANYMXKHGLPGNM-KBAYOESNSA-N 1 2 362.518 2.556 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2OC)C[C@H]1OC ZINC001213380390 1040494195 /nfs/dbraw/zinc/49/41/95/1040494195.db2.gz PSUCYHVERCMFDD-YVWKXTFCSA-N 1 2 364.461 2.752 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2OC)C[C@H]1OC ZINC001213380390 1040494204 /nfs/dbraw/zinc/49/42/04/1040494204.db2.gz PSUCYHVERCMFDD-YVWKXTFCSA-N 1 2 364.461 2.752 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)CCCC(C)C ZINC001213479379 1040588879 /nfs/dbraw/zinc/58/88/79/1040588879.db2.gz QECVHFAZNIOIFR-RTBURBONSA-N 1 2 361.461 2.839 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)CCCC(C)C ZINC001213479379 1040588896 /nfs/dbraw/zinc/58/88/96/1040588896.db2.gz QECVHFAZNIOIFR-RTBURBONSA-N 1 2 361.461 2.839 20 30 FFEDLO COc1ccc2c(c1)CC[NH2+][C@@H]2c1nc(-c2cc(C#N)ccc2F)no1 ZINC001249143389 1040604689 /nfs/dbraw/zinc/60/46/89/1040604689.db2.gz UEELNWHNXVHRNR-KRWDZBQOSA-N 1 2 350.353 2.991 20 30 FFEDLO CC(C)(C)OC(=O)[C@H](CO)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254348535 1040680619 /nfs/dbraw/zinc/68/06/19/1040680619.db2.gz QUMRZUWGVPCHMA-GNZRSQJKSA-N 1 2 362.445 2.822 20 30 FFEDLO C=CCOC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CCCOC1 ZINC001254369137 1040685455 /nfs/dbraw/zinc/68/54/55/1040685455.db2.gz YERGXZALMUVVCT-HOTGVXAUSA-N 1 2 370.490 2.548 20 30 FFEDLO CC[C@@H](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001213611889 1040718096 /nfs/dbraw/zinc/71/80/96/1040718096.db2.gz PEHIUZZTLYNRKR-NIKGAXFTSA-N 1 2 361.461 2.839 20 30 FFEDLO CC[C@@H](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001213611889 1040718108 /nfs/dbraw/zinc/71/81/08/1040718108.db2.gz PEHIUZZTLYNRKR-NIKGAXFTSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC(CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213631654 1040741187 /nfs/dbraw/zinc/74/11/87/1040741187.db2.gz XWPHRGZMXRCJLB-RTBURBONSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC(CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213631654 1040741201 /nfs/dbraw/zinc/74/12/01/1040741201.db2.gz XWPHRGZMXRCJLB-RTBURBONSA-N 1 2 361.461 2.839 20 30 FFEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cn(C(C)(C)C)nn3)C2)C1 ZINC001249480644 1040800309 /nfs/dbraw/zinc/80/03/09/1040800309.db2.gz CTKUOHXVMNRDNA-IBGZPJMESA-N 1 2 361.490 2.644 20 30 FFEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cn(C(C)(C)C)nn3)C2)C1 ZINC001249480644 1040800332 /nfs/dbraw/zinc/80/03/32/1040800332.db2.gz CTKUOHXVMNRDNA-IBGZPJMESA-N 1 2 361.490 2.644 20 30 FFEDLO CC(C)(C)OC(=O)NCC1C[NH+]([C@@H]2CCCN([C@H]3CC[C@@H](C#N)C3)C2)C1 ZINC001254673569 1040869015 /nfs/dbraw/zinc/86/90/15/1040869015.db2.gz MQWGLFOESFXAKT-BPQIPLTHSA-N 1 2 362.518 2.600 20 30 FFEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001213770794 1040891117 /nfs/dbraw/zinc/89/11/17/1040891117.db2.gz JAEINHVTTNNSMI-WOJBJXKFSA-N 1 2 366.546 2.982 20 30 FFEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001213770794 1040891132 /nfs/dbraw/zinc/89/11/32/1040891132.db2.gz JAEINHVTTNNSMI-WOJBJXKFSA-N 1 2 366.546 2.982 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1OC)c1ccccc1 ZINC001213897971 1041045289 /nfs/dbraw/zinc/04/52/89/1041045289.db2.gz SDVOBRSOYAXTPQ-NSISKUIASA-N 1 2 369.465 2.658 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1OC)c1ccccc1 ZINC001213897971 1041045301 /nfs/dbraw/zinc/04/53/01/1041045301.db2.gz SDVOBRSOYAXTPQ-NSISKUIASA-N 1 2 369.465 2.658 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccns2)C[C@H]1OC)c1ccccc1 ZINC001213899969 1041047213 /nfs/dbraw/zinc/04/72/13/1041047213.db2.gz OYNYLKBPXHQHAK-KFKAGJAMSA-N 1 2 371.506 2.818 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccns2)C[C@H]1OC)c1ccccc1 ZINC001213899969 1041047227 /nfs/dbraw/zinc/04/72/27/1041047227.db2.gz OYNYLKBPXHQHAK-KFKAGJAMSA-N 1 2 371.506 2.818 20 30 FFEDLO Cn1c[nH+]cc1C1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC001214067423 1041207993 /nfs/dbraw/zinc/20/79/93/1041207993.db2.gz YQAGOKXNQICYIS-UHFFFAOYSA-N 1 2 364.858 2.513 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2cccc(OC)c2OCC2CC2)CC1 ZINC001250536138 1041240980 /nfs/dbraw/zinc/24/09/80/1041240980.db2.gz ZIOKMVRQMZIJRE-UHFFFAOYSA-N 1 2 358.438 2.763 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(CC(C)C)no3)C2)CC1 ZINC001215479977 1041800155 /nfs/dbraw/zinc/80/01/55/1041800155.db2.gz KZWPKWZHGOAGJT-HZPDHXFCSA-N 1 2 360.502 2.951 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC[C@H](C)[C@@H]1c1ccccc1 ZINC001262947542 1041981698 /nfs/dbraw/zinc/98/16/98/1041981698.db2.gz NRIDOPHDWHHFPY-DSLXNQLJSA-N 1 2 367.497 2.789 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC[C@H](C)[C@@H]1c1ccccc1 ZINC001262947542 1041981703 /nfs/dbraw/zinc/98/17/03/1041981703.db2.gz NRIDOPHDWHHFPY-DSLXNQLJSA-N 1 2 367.497 2.789 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@H](C)CCSC ZINC001263025033 1042042574 /nfs/dbraw/zinc/04/25/74/1042042574.db2.gz RGLMXQAPULKYBB-OAHLLOKOSA-N 1 2 364.563 2.969 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001216810321 1042130226 /nfs/dbraw/zinc/13/02/26/1042130226.db2.gz LIIMSLRJBUALER-AYOQOUSVSA-N 1 2 368.481 2.750 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001263343449 1042251253 /nfs/dbraw/zinc/25/12/53/1042251253.db2.gz YQAGAGDKFJBDNE-FJIDUMEYSA-N 1 2 371.529 2.872 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001263343449 1042251263 /nfs/dbraw/zinc/25/12/63/1042251263.db2.gz YQAGAGDKFJBDNE-FJIDUMEYSA-N 1 2 371.529 2.872 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1 ZINC001263756540 1042469082 /nfs/dbraw/zinc/46/90/82/1042469082.db2.gz QWEZQBZUYHBZIR-LJQANCHMSA-N 1 2 366.513 2.773 20 30 FFEDLO CC#CCCCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2noc(C(C)(C)C)n2)C1 ZINC001263914483 1042528914 /nfs/dbraw/zinc/52/89/14/1042528914.db2.gz CKVHFOXYOOYOBL-JKSUJKDBSA-N 1 2 360.502 2.935 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nc(-c3ccco3)no2)[C@@H]1CC ZINC001264060416 1042605100 /nfs/dbraw/zinc/60/51/00/1042605100.db2.gz APDRNFKMFUKKMS-JKSUJKDBSA-N 1 2 370.453 2.992 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(-c3ccco3)no2)[C@@H]1CC ZINC001264060416 1042605103 /nfs/dbraw/zinc/60/51/03/1042605103.db2.gz APDRNFKMFUKKMS-JKSUJKDBSA-N 1 2 370.453 2.992 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)CSCC#N)CC[N@@H+]1Cc1c(F)cccc1Cl ZINC001264131696 1042629028 /nfs/dbraw/zinc/62/90/28/1042629028.db2.gz RYLGVIIRIUMLJN-ABAIWWIYSA-N 1 2 355.866 2.815 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)CSCC#N)CC[N@H+]1Cc1c(F)cccc1Cl ZINC001264131696 1042629029 /nfs/dbraw/zinc/62/90/29/1042629029.db2.gz RYLGVIIRIUMLJN-ABAIWWIYSA-N 1 2 355.866 2.815 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccc[nH]4)C[C@@H](C2)O3)cc1 ZINC001279227243 1042954195 /nfs/dbraw/zinc/95/41/95/1042954195.db2.gz UJJZERBBPPOOEM-OYRHEFFESA-N 1 2 353.466 2.665 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccc[nH]4)C[C@@H](C2)O3)cc1 ZINC001279227243 1042954196 /nfs/dbraw/zinc/95/41/96/1042954196.db2.gz UJJZERBBPPOOEM-OYRHEFFESA-N 1 2 353.466 2.665 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(Cc2ccc(Cl)c(O)c2)C3)cc1C#N ZINC001279312515 1042995537 /nfs/dbraw/zinc/99/55/37/1042995537.db2.gz CGIRZNIZYQJWOD-AEFFLSMTSA-N 1 2 370.884 2.962 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(Cc2ccc(Cl)c(O)c2)C3)cc1C#N ZINC001279312515 1042995538 /nfs/dbraw/zinc/99/55/38/1042995538.db2.gz CGIRZNIZYQJWOD-AEFFLSMTSA-N 1 2 370.884 2.962 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccc(Cl)c(O)c2)C3)cc1C#N ZINC001279312515 1042995540 /nfs/dbraw/zinc/99/55/40/1042995540.db2.gz CGIRZNIZYQJWOD-AEFFLSMTSA-N 1 2 370.884 2.962 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccc(Cl)c(O)c2)C3)cc1C#N ZINC001279312515 1042995541 /nfs/dbraw/zinc/99/55/41/1042995541.db2.gz CGIRZNIZYQJWOD-AEFFLSMTSA-N 1 2 370.884 2.962 20 30 FFEDLO CCn1ccnc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1c(F)cc(C#N)cc1F ZINC001279391891 1043048204 /nfs/dbraw/zinc/04/82/04/1043048204.db2.gz KTLALKHEDQXCSH-GASCZTMLSA-N 1 2 357.408 2.512 20 30 FFEDLO CCn1ccnc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1c(F)cc(C#N)cc1F ZINC001279391891 1043048206 /nfs/dbraw/zinc/04/82/06/1043048206.db2.gz KTLALKHEDQXCSH-GASCZTMLSA-N 1 2 357.408 2.512 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCC[C@H](Oc3ccc(C(N)=O)cc3)C2)c(F)cc1F ZINC001237536350 1043225420 /nfs/dbraw/zinc/22/54/20/1043225420.db2.gz JTMHAXWHGKBRJG-KRWDZBQOSA-N 1 2 371.387 2.979 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](Oc3ccc(C(N)=O)cc3)C2)c(F)cc1F ZINC001237536350 1043225428 /nfs/dbraw/zinc/22/54/28/1043225428.db2.gz JTMHAXWHGKBRJG-KRWDZBQOSA-N 1 2 371.387 2.979 20 30 FFEDLO Cc1ncsc1C[N@@H+]1CCC12CN(Cc1ccc(OCC#N)cc1)C2 ZINC001279650046 1043401758 /nfs/dbraw/zinc/40/17/58/1043401758.db2.gz VDJRAWKOCUFGOS-UHFFFAOYSA-N 1 2 354.479 2.814 20 30 FFEDLO Cc1ncsc1C[N@H+]1CCC12CN(Cc1ccc(OCC#N)cc1)C2 ZINC001279650046 1043401763 /nfs/dbraw/zinc/40/17/63/1043401763.db2.gz VDJRAWKOCUFGOS-UHFFFAOYSA-N 1 2 354.479 2.814 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2[nH]c(-c3ccc[nH]3)cc2OC)C1 ZINC001237880284 1043413813 /nfs/dbraw/zinc/41/38/13/1043413813.db2.gz NTTIJOXQOVJTQR-AWEZNQCLSA-N 1 2 358.442 2.895 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2[nH]c(-c3ccc[nH]3)cc2OC)C1 ZINC001237880284 1043413822 /nfs/dbraw/zinc/41/38/22/1043413822.db2.gz NTTIJOXQOVJTQR-AWEZNQCLSA-N 1 2 358.442 2.895 20 30 FFEDLO COC1(CC(=O)N2CCC23C[NH+](Cc2ccc(C#N)cc2C)C3)CCC1 ZINC001279697174 1043486977 /nfs/dbraw/zinc/48/69/77/1043486977.db2.gz PEJDRIZSGLVBJG-UHFFFAOYSA-N 1 2 353.466 2.613 20 30 FFEDLO CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1F ZINC001279762798 1043604926 /nfs/dbraw/zinc/60/49/26/1043604926.db2.gz OQGBRGBONIYQNL-HDICACEKSA-N 1 2 353.445 2.763 20 30 FFEDLO CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1F ZINC001279762798 1043604932 /nfs/dbraw/zinc/60/49/32/1043604932.db2.gz OQGBRGBONIYQNL-HDICACEKSA-N 1 2 353.445 2.763 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N2CC[NH2+][C@H](c3ccc(CC)cc3)C2)cc1 ZINC001309972238 1043617185 /nfs/dbraw/zinc/61/71/85/1043617185.db2.gz UTVIJXXCXALQNR-FQEVSTJZSA-N 1 2 354.475 2.566 20 30 FFEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC001310196943 1043650752 /nfs/dbraw/zinc/65/07/52/1043650752.db2.gz YTCWIAPPYDOLGB-MRXNPFEDSA-N 1 2 360.458 2.578 20 30 FFEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC001310196943 1043650758 /nfs/dbraw/zinc/65/07/58/1043650758.db2.gz YTCWIAPPYDOLGB-MRXNPFEDSA-N 1 2 360.458 2.578 20 30 FFEDLO C#CC[NH+]1CCN(Cc2cc(C)cc(Br)c2OCC)CC1 ZINC001238388920 1043680842 /nfs/dbraw/zinc/68/08/42/1043680842.db2.gz ZZGBDLANUSJPRN-UHFFFAOYSA-N 1 2 351.288 2.907 20 30 FFEDLO C=CCCCNC(=S)N1C[C@@H]2C[N@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001279936671 1043948091 /nfs/dbraw/zinc/94/80/91/1043948091.db2.gz PSFCADCQYNCMAE-OKILXGFUSA-N 1 2 365.465 2.555 20 30 FFEDLO C=CCCCNC(=S)N1C[C@@H]2C[N@@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001279936671 1043948101 /nfs/dbraw/zinc/94/81/01/1043948101.db2.gz PSFCADCQYNCMAE-OKILXGFUSA-N 1 2 365.465 2.555 20 30 FFEDLO N#CCC1CN(C(=O)[C@@H]2CC23C[NH+](Cc2ccccc2Br)C3)C1 ZINC001279944641 1043961867 /nfs/dbraw/zinc/96/18/67/1043961867.db2.gz NVQZLMQLHNUQSI-HNNXBMFYSA-N 1 2 374.282 2.643 20 30 FFEDLO N#CCc1ccc(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC001312820975 1044176830 /nfs/dbraw/zinc/17/68/30/1044176830.db2.gz OZLBDVCDDBELHA-UHFFFAOYSA-N 1 2 359.433 2.997 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1noc(-c2ccoc2)n1 ZINC001316699574 1044462202 /nfs/dbraw/zinc/46/22/02/1044462202.db2.gz TVEBDVWNIVFCJC-WBVHZDCISA-N 1 2 370.453 2.706 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3ccc(C#N)c4[nH]ccc43)cn2)CC1 ZINC001241566372 1044553077 /nfs/dbraw/zinc/55/30/77/1044553077.db2.gz QVTJOTDQCBENDH-UHFFFAOYSA-N 1 2 360.465 2.761 20 30 FFEDLO COCC1(CC(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@@H]2C)CC1 ZINC001316782305 1044946886 /nfs/dbraw/zinc/94/68/86/1044946886.db2.gz GPLJIAKCBGASAX-KDOFPFPSSA-N 1 2 359.445 2.593 20 30 FFEDLO COCC1(CC(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@@H]2C)CC1 ZINC001316782305 1044946871 /nfs/dbraw/zinc/94/68/71/1044946871.db2.gz GPLJIAKCBGASAX-KDOFPFPSSA-N 1 2 359.445 2.593 20 30 FFEDLO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)OCC(=O)N(C)C(C)(C)C#N)c1 ZINC001319040816 1044998896 /nfs/dbraw/zinc/99/88/96/1044998896.db2.gz FCLGVVYVVUROLQ-SFHVURJKSA-N 1 2 371.481 2.653 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)OCC(=O)N(C)C(C)(C)C#N)c1 ZINC001319040816 1044998901 /nfs/dbraw/zinc/99/89/01/1044998901.db2.gz FCLGVVYVVUROLQ-SFHVURJKSA-N 1 2 371.481 2.653 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2CCc2cccc(C)c2)CC1 ZINC001539452085 1070640889 /nfs/dbraw/zinc/64/08/89/1070640889.db2.gz KKUJILZTXVQWFN-UHFFFAOYSA-N 1 2 365.525 2.783 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2nccs2)c2ccccc2)C1 ZINC001320039329 1045334621 /nfs/dbraw/zinc/33/46/21/1045334621.db2.gz ITGVDAPIPMXQSJ-SJLPKXTDSA-N 1 2 357.479 2.626 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2nccs2)c2ccccc2)C1 ZINC001320039329 1045334628 /nfs/dbraw/zinc/33/46/28/1045334628.db2.gz ITGVDAPIPMXQSJ-SJLPKXTDSA-N 1 2 357.479 2.626 20 30 FFEDLO C=CC[C@@H](NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)C(=O)OCC ZINC001320259135 1045377569 /nfs/dbraw/zinc/37/75/69/1045377569.db2.gz MGFIVIOIIUSBQV-QGZVFWFLSA-N 1 2 368.437 2.635 20 30 FFEDLO C=C[C@H](COC)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC001320432982 1045407277 /nfs/dbraw/zinc/40/72/77/1045407277.db2.gz JAUUZEGLFXPQLJ-HZPDHXFCSA-N 1 2 367.287 2.903 20 30 FFEDLO C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001539656175 1070674869 /nfs/dbraw/zinc/67/48/69/1070674869.db2.gz UQOZFDNXWKRWPL-MRXNPFEDSA-N 1 2 373.501 2.970 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)Nc2nc3ccc(OCC)cc3s2)C1 ZINC001323730248 1045700223 /nfs/dbraw/zinc/70/02/23/1045700223.db2.gz SIYDWTALRJMQCD-AWEZNQCLSA-N 1 2 361.467 2.910 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](CC(=O)Nc2nc3ccc(OCC)cc3s2)C1 ZINC001323730248 1045700233 /nfs/dbraw/zinc/70/02/33/1045700233.db2.gz SIYDWTALRJMQCD-AWEZNQCLSA-N 1 2 361.467 2.910 20 30 FFEDLO C=C(Cl)Cn1c(CC2CCCC2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001539811097 1070704854 /nfs/dbraw/zinc/70/48/54/1070704854.db2.gz AWFOPQNNOCCGPB-UHFFFAOYSA-N 1 2 367.925 2.532 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CC(CC)(CC)OC)CC1 ZINC001286470268 1047119404 /nfs/dbraw/zinc/11/94/04/1047119404.db2.gz WFGJNINJBODHND-UHFFFAOYSA-N 1 2 361.534 2.536 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001290169880 1047887402 /nfs/dbraw/zinc/88/74/02/1047887402.db2.gz XTVQILHMRAROTD-DOTOQJQBSA-N 1 2 366.465 2.771 20 30 FFEDLO N#CCOc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)c1 ZINC001328625898 1048387673 /nfs/dbraw/zinc/38/76/73/1048387673.db2.gz JXWMOVPKWBLBRU-IBGZPJMESA-N 1 2 350.422 2.977 20 30 FFEDLO N#CCOc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)c1 ZINC001328625898 1048387681 /nfs/dbraw/zinc/38/76/81/1048387681.db2.gz JXWMOVPKWBLBRU-IBGZPJMESA-N 1 2 350.422 2.977 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001291626572 1048766177 /nfs/dbraw/zinc/76/61/77/1048766177.db2.gz FYWYRBBYXVDDOH-HZPDHXFCSA-N 1 2 360.502 2.545 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001291626572 1048766191 /nfs/dbraw/zinc/76/61/91/1048766191.db2.gz FYWYRBBYXVDDOH-HZPDHXFCSA-N 1 2 360.502 2.545 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001291837646 1048942340 /nfs/dbraw/zinc/94/23/40/1048942340.db2.gz RIDXTMIGKYBYBC-AYBZRNKSSA-N 1 2 364.449 2.618 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001291878968 1048964379 /nfs/dbraw/zinc/96/43/79/1048964379.db2.gz BUKGKEZHVIVVFE-IKGGRYGDSA-N 1 2 372.513 2.777 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@](O)(c3ccccc3)C2)C1=O ZINC001329919703 1048967765 /nfs/dbraw/zinc/96/77/65/1048967765.db2.gz KFJKVTYJCMNJRJ-XLIONFOSSA-N 1 2 367.474 2.709 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@](O)(c3ccccc3)C2)C1=O ZINC001329919703 1048967778 /nfs/dbraw/zinc/96/77/78/1048967778.db2.gz KFJKVTYJCMNJRJ-XLIONFOSSA-N 1 2 367.474 2.709 20 30 FFEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCCSCc2ccccc2C#N)[nH]n1 ZINC001333986082 1049191722 /nfs/dbraw/zinc/19/17/22/1049191722.db2.gz YNSBWUANBCRHEU-SFHVURJKSA-N 1 2 369.494 2.711 20 30 FFEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCCSCc2ccccc2C#N)[nH]n1 ZINC001333986082 1049191732 /nfs/dbraw/zinc/19/17/32/1049191732.db2.gz YNSBWUANBCRHEU-SFHVURJKSA-N 1 2 369.494 2.711 20 30 FFEDLO C[C@@H](C#N)CN(C)c1nnc(-c2ccc[nH]2)n1CCc1cn2ccccc2[nH+]1 ZINC001541111192 1071054819 /nfs/dbraw/zinc/05/48/19/1071054819.db2.gz GTVDWVSZGNLUGU-HNNXBMFYSA-N 1 2 374.452 2.759 20 30 FFEDLO C=CCn1c(N(C)C[C@H](C)c2ccccc2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339853171 1050269121 /nfs/dbraw/zinc/26/91/21/1050269121.db2.gz HKMBNUXWZZIHKJ-DJPFJPOOSA-N 1 2 369.513 2.616 20 30 FFEDLO C=CCn1c(N(C)C[C@H](C)c2ccccc2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001339853171 1050269127 /nfs/dbraw/zinc/26/91/27/1050269127.db2.gz HKMBNUXWZZIHKJ-DJPFJPOOSA-N 1 2 369.513 2.616 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCn2nc(C3CC3)cc2C1 ZINC001340263601 1050668713 /nfs/dbraw/zinc/66/87/13/1050668713.db2.gz FODOPVJMYPQMSU-GOSISDBHSA-N 1 2 367.501 2.715 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCn2nc(C3CC3)cc2C1 ZINC001340263601 1050668714 /nfs/dbraw/zinc/66/87/14/1050668714.db2.gz FODOPVJMYPQMSU-GOSISDBHSA-N 1 2 367.501 2.715 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCn2nc(C3CC3)cc2C1 ZINC001340263603 1050668820 /nfs/dbraw/zinc/66/88/20/1050668820.db2.gz FODOPVJMYPQMSU-SFHVURJKSA-N 1 2 367.501 2.715 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCn2nc(C3CC3)cc2C1 ZINC001340263603 1050668829 /nfs/dbraw/zinc/66/88/29/1050668829.db2.gz FODOPVJMYPQMSU-SFHVURJKSA-N 1 2 367.501 2.715 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)C[C@]12CCC[C@H]1OCC2 ZINC001342098709 1050693790 /nfs/dbraw/zinc/69/37/90/1050693790.db2.gz AKFNGTKJVVCLOY-YLJYHZDGSA-N 1 2 359.518 2.845 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001342100565 1050694691 /nfs/dbraw/zinc/69/46/91/1050694691.db2.gz SQVPPQUWYAYCDK-SFHVURJKSA-N 1 2 359.518 2.703 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[C@H](c2noc(C)n2)C1 ZINC001342232846 1050822874 /nfs/dbraw/zinc/82/28/74/1050822874.db2.gz DVKUUIYOTSOSEI-INIZCTEOSA-N 1 2 371.489 2.525 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001340451577 1050844246 /nfs/dbraw/zinc/84/42/46/1050844246.db2.gz YDQWGIPUAZBPIT-SFHVURJKSA-N 1 2 361.534 2.541 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001340490719 1050886748 /nfs/dbraw/zinc/88/67/48/1050886748.db2.gz AADAPPQTFPDNOV-CVEARBPZSA-N 1 2 374.558 2.887 20 30 FFEDLO COCCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)[C@@H](C)CC#N ZINC001342343859 1050938771 /nfs/dbraw/zinc/93/87/71/1050938771.db2.gz CJNLYWQYFYLTCZ-IRXDYDNUSA-N 1 2 370.501 2.856 20 30 FFEDLO COCCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)[C@@H](C)CC#N ZINC001342343859 1050938782 /nfs/dbraw/zinc/93/87/82/1050938782.db2.gz CJNLYWQYFYLTCZ-IRXDYDNUSA-N 1 2 370.501 2.856 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)[C@@H](C)CC#N ZINC001342344746 1050939988 /nfs/dbraw/zinc/93/99/88/1050939988.db2.gz PWTDJPXWXWDGDQ-ULQDDVLXSA-N 1 2 358.490 2.518 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)[C@@H](C)CC#N ZINC001342344746 1050940001 /nfs/dbraw/zinc/94/00/01/1050940001.db2.gz PWTDJPXWXWDGDQ-ULQDDVLXSA-N 1 2 358.490 2.518 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccccc2C)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001342383607 1050978275 /nfs/dbraw/zinc/97/82/75/1050978275.db2.gz FLWQPLQIRXPTCX-LLGFUMIMSA-N 1 2 369.513 2.882 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccccc2C)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001342383607 1050978287 /nfs/dbraw/zinc/97/82/87/1050978287.db2.gz FLWQPLQIRXPTCX-LLGFUMIMSA-N 1 2 369.513 2.882 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1ccco1 ZINC001340627394 1051005718 /nfs/dbraw/zinc/00/57/18/1051005718.db2.gz LQFJXLBDJMYGSF-UHFFFAOYSA-N 1 2 354.458 2.787 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)CCOc1ccc(C)cc1 ZINC001342417182 1051011969 /nfs/dbraw/zinc/01/19/69/1051011969.db2.gz ZVIWAAHQGJBWRI-UHFFFAOYSA-N 1 2 366.469 2.612 20 30 FFEDLO CCOCCCn1c(C[NH+]2CCCCC2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC001342460706 1051059943 /nfs/dbraw/zinc/05/99/43/1051059943.db2.gz YQAIIUQXSBUOLC-QZTJIDSGSA-N 1 2 374.533 2.819 20 30 FFEDLO C=CCn1c(N2CC3(CC3)c3ccccc32)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001340700097 1051064731 /nfs/dbraw/zinc/06/47/31/1051064731.db2.gz BAQZOFGDTBNVLL-YWZLYKJASA-N 1 2 365.481 2.559 20 30 FFEDLO C=CCn1c(N2CC3(CC3)c3ccccc32)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001340700097 1051064742 /nfs/dbraw/zinc/06/47/42/1051064742.db2.gz BAQZOFGDTBNVLL-YWZLYKJASA-N 1 2 365.481 2.559 20 30 FFEDLO C#CCCN(CCOC)c1nnc([C@H]2CCC[N@@H+]2C)n1Cc1cccs1 ZINC001344910144 1052121862 /nfs/dbraw/zinc/12/18/62/1052121862.db2.gz MIMOFVPSAVGRLV-QGZVFWFLSA-N 1 2 373.526 2.631 20 30 FFEDLO C#CCCN(CCOC)c1nnc([C@H]2CCC[N@H+]2C)n1Cc1cccs1 ZINC001344910144 1052121867 /nfs/dbraw/zinc/12/18/67/1052121867.db2.gz MIMOFVPSAVGRLV-QGZVFWFLSA-N 1 2 373.526 2.631 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@](C)(CC)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001343404052 1052208638 /nfs/dbraw/zinc/20/86/38/1052208638.db2.gz ISMDZOUWBXEXFX-FFZOFVMBSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@](C)(CC)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001343404052 1052208642 /nfs/dbraw/zinc/20/86/42/1052208642.db2.gz ISMDZOUWBXEXFX-FFZOFVMBSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[C@@H]2C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001343639892 1052350370 /nfs/dbraw/zinc/35/03/70/1052350370.db2.gz UCRKZIKEDYQTEG-WMLDXEAASA-N 1 2 356.474 2.596 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1Cc1ccccc1 ZINC001343687241 1052374208 /nfs/dbraw/zinc/37/42/08/1052374208.db2.gz VCHCZZCYXBNHTE-HKUYNNGSSA-N 1 2 367.497 2.566 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1Cc1ccccc1 ZINC001343687241 1052374213 /nfs/dbraw/zinc/37/42/13/1052374213.db2.gz VCHCZZCYXBNHTE-HKUYNNGSSA-N 1 2 367.497 2.566 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCSC[C@@H]1C ZINC001343958040 1052511408 /nfs/dbraw/zinc/51/14/08/1052511408.db2.gz SUUDGNCIOVDPKB-JKSUJKDBSA-N 1 2 365.547 2.578 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCSC[C@@H]1C ZINC001343958040 1052511414 /nfs/dbraw/zinc/51/14/14/1052511414.db2.gz SUUDGNCIOVDPKB-JKSUJKDBSA-N 1 2 365.547 2.578 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCSC[C@H]1C ZINC001343957946 1052511705 /nfs/dbraw/zinc/51/17/05/1052511705.db2.gz SUUDGNCIOVDPKB-HZPDHXFCSA-N 1 2 365.547 2.578 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCSC[C@H]1C ZINC001343957946 1052511709 /nfs/dbraw/zinc/51/17/09/1052511709.db2.gz SUUDGNCIOVDPKB-HZPDHXFCSA-N 1 2 365.547 2.578 20 30 FFEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001308995941 1052535034 /nfs/dbraw/zinc/53/50/34/1052535034.db2.gz CBNVVOSAWQAVJW-UHFFFAOYSA-N 1 2 357.366 2.959 20 30 FFEDLO C[N@@H+]1CCC[C@H]1c1nnc(N2CCC[C@H](C#N)C2)n1Cc1ccccc1 ZINC001344069987 1052578332 /nfs/dbraw/zinc/57/83/32/1052578332.db2.gz XKXWFGFVXGNYNC-MSOLQXFVSA-N 1 2 350.470 2.833 20 30 FFEDLO C[N@H+]1CCC[C@H]1c1nnc(N2CCC[C@H](C#N)C2)n1Cc1ccccc1 ZINC001344069987 1052578339 /nfs/dbraw/zinc/57/83/39/1052578339.db2.gz XKXWFGFVXGNYNC-MSOLQXFVSA-N 1 2 350.470 2.833 20 30 FFEDLO Cc1cccc(C#N)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001309317132 1052597509 /nfs/dbraw/zinc/59/75/09/1052597509.db2.gz QVSXSSPXZJSJJL-MSOLQXFVSA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1cccc(C#N)c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001309317132 1052597514 /nfs/dbraw/zinc/59/75/14/1052597514.db2.gz QVSXSSPXZJSJJL-MSOLQXFVSA-N 1 2 373.453 2.730 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCOC2(CCCC2)C1 ZINC001346636679 1053173907 /nfs/dbraw/zinc/17/39/07/1053173907.db2.gz QFJXICMGRMXRIC-UHFFFAOYSA-N 1 2 359.518 2.990 20 30 FFEDLO C#C[C@H]1CCCN(c2nnc(Cc3[nH+]ccn3C)n2Cc2cccs2)C1 ZINC001348381637 1054663798 /nfs/dbraw/zinc/66/37/98/1054663798.db2.gz PJKGFIFUAMVHLD-HNNXBMFYSA-N 1 2 366.494 2.562 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@H](CO)[C@H]1C ZINC001351980908 1055097715 /nfs/dbraw/zinc/09/77/15/1055097715.db2.gz KHMJFDAYVCOELP-KZNAEPCWSA-N 1 2 372.517 2.893 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2Cc2cc(C)on2)C1 ZINC001352105252 1055194639 /nfs/dbraw/zinc/19/46/39/1055194639.db2.gz SQBYDFLUXRTFMJ-AEFFLSMTSA-N 1 2 368.485 2.629 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2Cc2cc(C)on2)C1 ZINC001352105252 1055194644 /nfs/dbraw/zinc/19/46/44/1055194644.db2.gz SQBYDFLUXRTFMJ-AEFFLSMTSA-N 1 2 368.485 2.629 20 30 FFEDLO C=CCn1c(N2CCC3(CCCCC3)CC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001356134209 1055322075 /nfs/dbraw/zinc/32/20/75/1055322075.db2.gz LVCJJVVZDQSQHI-PXNSSMCTSA-N 1 2 373.545 2.926 20 30 FFEDLO C=CCn1c(N2CCC3(CCCCC3)CC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001356134209 1055322088 /nfs/dbraw/zinc/32/20/88/1055322088.db2.gz LVCJJVVZDQSQHI-PXNSSMCTSA-N 1 2 373.545 2.926 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1cnn(C)c1C ZINC001357125691 1055785250 /nfs/dbraw/zinc/78/52/50/1055785250.db2.gz CWVRDLOXSRCVEQ-QGZVFWFLSA-N 1 2 357.506 2.689 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)Cc1cnn(C)c1C ZINC001357125691 1055785263 /nfs/dbraw/zinc/78/52/63/1055785263.db2.gz CWVRDLOXSRCVEQ-QGZVFWFLSA-N 1 2 357.506 2.689 20 30 FFEDLO C=CCC1(O)CCN(c2nnc([C@H]3CCCC[N@H+]3C)n2CC(=C)C)CC1 ZINC001357126000 1055785590 /nfs/dbraw/zinc/78/55/90/1055785590.db2.gz GZGXZFHYKQNFRN-QGZVFWFLSA-N 1 2 359.518 2.918 20 30 FFEDLO C=CCC1(O)CCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2CC(=C)C)CC1 ZINC001357126000 1055785599 /nfs/dbraw/zinc/78/55/99/1055785599.db2.gz GZGXZFHYKQNFRN-QGZVFWFLSA-N 1 2 359.518 2.918 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001338895258 1055913113 /nfs/dbraw/zinc/91/31/13/1055913113.db2.gz GMVSILCPNCYDMW-MELADBBJSA-N 1 2 373.423 2.777 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001338895258 1055913123 /nfs/dbraw/zinc/91/31/23/1055913123.db2.gz GMVSILCPNCYDMW-MELADBBJSA-N 1 2 373.423 2.777 20 30 FFEDLO CCCCCCCCCCNC(=S)N1CC[N@H+](C)C[C@H]1C(=O)OC ZINC001200217609 1056060152 /nfs/dbraw/zinc/06/01/52/1056060152.db2.gz WTZXTGNVFBGYPY-INIZCTEOSA-N 1 2 357.564 2.791 20 30 FFEDLO CCCCCCCCCCNC(=S)N1CC[N@@H+](C)C[C@H]1C(=O)OC ZINC001200217609 1056060157 /nfs/dbraw/zinc/06/01/57/1056060157.db2.gz WTZXTGNVFBGYPY-INIZCTEOSA-N 1 2 357.564 2.791 20 30 FFEDLO C=CCC1(C(=O)NC2CC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCC1 ZINC001339228116 1056225156 /nfs/dbraw/zinc/22/51/56/1056225156.db2.gz ZBZBXEILRXNDFP-BHUNQDJPSA-N 1 2 370.497 2.755 20 30 FFEDLO C=CCC1(C(=O)NC2CC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCC1 ZINC001339228116 1056225171 /nfs/dbraw/zinc/22/51/71/1056225171.db2.gz ZBZBXEILRXNDFP-BHUNQDJPSA-N 1 2 370.497 2.755 20 30 FFEDLO C#CCN(C)c1nnc(CC2CC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001358951795 1056622289 /nfs/dbraw/zinc/62/22/89/1056622289.db2.gz MGCDLAXJXLFVPM-QGZVFWFLSA-N 1 2 373.451 2.881 20 30 FFEDLO C#CCN(CC)c1nnc(-c2ccc[nH]2)n1CCc1cn2ccccc2[nH+]1 ZINC001359007015 1056650850 /nfs/dbraw/zinc/65/08/50/1056650850.db2.gz RHOUYXXGDSSLKF-UHFFFAOYSA-N 1 2 359.437 2.623 20 30 FFEDLO C=CC1CCN(c2nnc(C(C)C)n2CC2([NH+]3CCOCC3)CC2)CC1 ZINC001359173019 1056759259 /nfs/dbraw/zinc/75/92/59/1056759259.db2.gz RJEWYOPAHBKCAQ-UHFFFAOYSA-N 1 2 359.518 2.669 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2C[C@@H]2CCCO2)C1 ZINC001518119999 1058275947 /nfs/dbraw/zinc/27/59/47/1058275947.db2.gz YDUVCZBBOJXSJB-MOPGFXCFSA-N 1 2 371.529 2.683 20 30 FFEDLO C#CCN(CC#CC)c1nnc(C(C)(C)C)n1CCc1cn2ccccc2[nH+]1 ZINC001300554968 1058758397 /nfs/dbraw/zinc/75/83/97/1058758397.db2.gz OMVZTSHOQQPGOW-UHFFFAOYSA-N 1 2 374.492 2.929 20 30 FFEDLO C=CC[C@H](CO)NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001448633887 1058800856 /nfs/dbraw/zinc/80/08/56/1058800856.db2.gz YDRFEEBLAVRCMI-CVEARBPZSA-N 1 2 367.287 2.639 20 30 FFEDLO CC(C)C[C@H](C(=O)Nc1ccccc1-n1ncc(C#N)c1N)n1cc[nH+]c1 ZINC001449235380 1058880979 /nfs/dbraw/zinc/88/09/79/1058880979.db2.gz XYFCLGVEHFVDRM-QGZVFWFLSA-N 1 2 363.425 2.749 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc(Cc2[nH+]ccn2C)n1Cc1ccccc1 ZINC001354369855 1058910021 /nfs/dbraw/zinc/91/00/21/1058910021.db2.gz MCBBSJZFKXDYES-SFHVURJKSA-N 1 2 360.465 2.643 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[C@@H](Cc2nccs2)C1 ZINC001515031840 1059241434 /nfs/dbraw/zinc/24/14/34/1059241434.db2.gz OZHAZYXNVYMNJU-INIZCTEOSA-N 1 2 372.542 2.976 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CC2(SC)CCC2)CC1 ZINC001507723905 1059702492 /nfs/dbraw/zinc/70/24/92/1059702492.db2.gz YWCKXCFPZOBZIC-UHFFFAOYSA-N 1 2 359.543 2.587 20 30 FFEDLO C=CCCC1(C(=O)N(C)C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001508293309 1059850504 /nfs/dbraw/zinc/85/05/04/1059850504.db2.gz OVEILEFRWRYAPT-BRWVUGGUSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCCC1(C(=O)N(C)C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001508293309 1059850529 /nfs/dbraw/zinc/85/05/29/1059850529.db2.gz OVEILEFRWRYAPT-BRWVUGGUSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001516060854 1059946219 /nfs/dbraw/zinc/94/62/19/1059946219.db2.gz UREKILNAXHMAFU-QGZVFWFLSA-N 1 2 368.485 2.729 20 30 FFEDLO COc1cc(C=NNCCCn2cc[nH+]c2)ccc1OCc1ccncc1 ZINC000848417533 1059971921 /nfs/dbraw/zinc/97/19/21/1059971921.db2.gz BJHSUMVJWKHYMQ-UHFFFAOYSA-N 1 2 365.437 2.880 20 30 FFEDLO CC(=NNCCCn1cc[nH+]c1)c1ccc(OCc2nccn2C)cc1 ZINC000848416514 1059973160 /nfs/dbraw/zinc/97/31/60/1059973160.db2.gz NSOBLYHDNKWCQI-UHFFFAOYSA-N 1 2 352.442 2.600 20 30 FFEDLO Cn1c([C@@H]2CCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001355564358 1060364597 /nfs/dbraw/zinc/36/45/97/1060364597.db2.gz DDXSWBRTUNJRDE-ROUUACIJSA-N 1 2 350.470 2.892 20 30 FFEDLO Cn1c([C@@H]2CCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001355564358 1060364617 /nfs/dbraw/zinc/36/46/17/1060364617.db2.gz DDXSWBRTUNJRDE-ROUUACIJSA-N 1 2 350.470 2.892 20 30 FFEDLO N#CC1(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCOCC1 ZINC001517384332 1060475039 /nfs/dbraw/zinc/47/50/39/1060475039.db2.gz WPNWBZWIDIAVNM-UHFFFAOYSA-N 1 2 363.487 2.571 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(CC1CC1)C1CCCCC1 ZINC001355920709 1060730072 /nfs/dbraw/zinc/73/00/72/1060730072.db2.gz WNLPJNSKVNTDDY-QZTJIDSGSA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(CC1CC1)C1CCCCC1 ZINC001355920709 1060730083 /nfs/dbraw/zinc/73/00/83/1060730083.db2.gz WNLPJNSKVNTDDY-QZTJIDSGSA-N 1 2 359.518 2.751 20 30 FFEDLO C=C(C)Cn1c(N2CCC3(CCCC3)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001355946829 1060752838 /nfs/dbraw/zinc/75/28/38/1060752838.db2.gz HYCBNMCVLGVZBL-LPHOPBHVSA-N 1 2 359.518 2.536 20 30 FFEDLO C=C(C)Cn1c(N2CCC3(CCCC3)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001355946829 1060752851 /nfs/dbraw/zinc/75/28/51/1060752851.db2.gz HYCBNMCVLGVZBL-LPHOPBHVSA-N 1 2 359.518 2.536 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](CC)CC[C@H]2C)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001355957107 1060760503 /nfs/dbraw/zinc/76/05/03/1060760503.db2.gz BYRCFCHROXJEDB-WWNBULGVSA-N 1 2 361.534 2.781 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](CC)CC[C@H]2C)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001355957107 1060760518 /nfs/dbraw/zinc/76/05/18/1060760518.db2.gz BYRCFCHROXJEDB-WWNBULGVSA-N 1 2 361.534 2.781 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[N@H+](C[C@@H](O)c2cccc(C#N)c2)C(C)(C)C1 ZINC001459624720 1060783631 /nfs/dbraw/zinc/78/36/31/1060783631.db2.gz IIBNCJXLBFCGTD-QGZVFWFLSA-N 1 2 359.470 2.923 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C(C)(C)C1 ZINC001459624720 1060783649 /nfs/dbraw/zinc/78/36/49/1060783649.db2.gz IIBNCJXLBFCGTD-QGZVFWFLSA-N 1 2 359.470 2.923 20 30 FFEDLO C#CC[N@@H+](CC(=O)N(C)CCOc1ccccc1F)Cc1ccccc1 ZINC001460069854 1060889134 /nfs/dbraw/zinc/88/91/34/1060889134.db2.gz IWBCHMLJPKCTDU-UHFFFAOYSA-N 1 2 354.425 2.798 20 30 FFEDLO C#CC[N@H+](CC(=O)N(C)CCOc1ccccc1F)Cc1ccccc1 ZINC001460069854 1060889144 /nfs/dbraw/zinc/88/91/44/1060889144.db2.gz IWBCHMLJPKCTDU-UHFFFAOYSA-N 1 2 354.425 2.798 20 30 FFEDLO C#Cc1cccc(NC(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)c1 ZINC001475846773 1061297690 /nfs/dbraw/zinc/29/76/90/1061297690.db2.gz IUYNPEAEUZWZKV-NRFANRHFSA-N 1 2 363.461 2.999 20 30 FFEDLO C#Cc1cccc(NC(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)c1 ZINC001475846773 1061297706 /nfs/dbraw/zinc/29/77/06/1061297706.db2.gz IUYNPEAEUZWZKV-NRFANRHFSA-N 1 2 363.461 2.999 20 30 FFEDLO C[C@@H](CCC#N)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC1CC1 ZINC001527110425 1061392862 /nfs/dbraw/zinc/39/28/62/1061392862.db2.gz VIKTVESBXYKSDE-INIZCTEOSA-N 1 2 365.485 2.817 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001522008821 1061438176 /nfs/dbraw/zinc/43/81/76/1061438176.db2.gz XQWKSLMKFFBDSK-HZPDHXFCSA-N 1 2 354.454 2.515 20 30 FFEDLO Cc1ccccc1-n1cc(C[N@@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)nn1 ZINC001462597755 1061684150 /nfs/dbraw/zinc/68/41/50/1061684150.db2.gz UNIZUCMSPPXSOZ-GOSISDBHSA-N 1 2 373.464 2.919 20 30 FFEDLO Cc1ccccc1-n1cc(C[N@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)nn1 ZINC001462597755 1061684162 /nfs/dbraw/zinc/68/41/62/1061684162.db2.gz UNIZUCMSPPXSOZ-GOSISDBHSA-N 1 2 373.464 2.919 20 30 FFEDLO Cc1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc(C)c1C#N ZINC001529569335 1062344115 /nfs/dbraw/zinc/34/41/15/1062344115.db2.gz GFVIYCAQFVYLQY-FQEVSTJZSA-N 1 2 363.461 2.806 20 30 FFEDLO Cc1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc(C)c1C#N ZINC001529569335 1062344131 /nfs/dbraw/zinc/34/41/31/1062344131.db2.gz GFVIYCAQFVYLQY-FQEVSTJZSA-N 1 2 363.461 2.806 20 30 FFEDLO C=CCN(C)c1nnc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1CCOC ZINC001523299394 1062429134 /nfs/dbraw/zinc/42/91/34/1062429134.db2.gz FZWUSMPTIDBUGB-GOSISDBHSA-N 1 2 355.486 2.884 20 30 FFEDLO C=CCN(C)c1nnc([C@H]2CCC[N@H+]2Cc2ccccc2)n1CCOC ZINC001523299394 1062429139 /nfs/dbraw/zinc/42/91/39/1062429139.db2.gz FZWUSMPTIDBUGB-GOSISDBHSA-N 1 2 355.486 2.884 20 30 FFEDLO C=CCC1(C(=O)N(C)C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCC1 ZINC001530169401 1062503284 /nfs/dbraw/zinc/50/32/84/1062503284.db2.gz SKPXGFVDLFAKFD-BRWVUGGUSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CCC1(C(=O)N(C)C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCC1 ZINC001530169401 1062503310 /nfs/dbraw/zinc/50/33/10/1062503310.db2.gz SKPXGFVDLFAKFD-BRWVUGGUSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc([C@]3(C)C[C@H](O)C[N@H+]3C)n2CC(=C)C)C1 ZINC001523777144 1062618141 /nfs/dbraw/zinc/61/81/41/1062618141.db2.gz IIFJRWJJLKHMMR-UWVAXJGDSA-N 1 2 359.518 2.558 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc([C@]3(C)C[C@H](O)C[N@@H+]3C)n2CC(=C)C)C1 ZINC001523777144 1062618147 /nfs/dbraw/zinc/61/81/47/1062618147.db2.gz IIFJRWJJLKHMMR-UWVAXJGDSA-N 1 2 359.518 2.558 20 30 FFEDLO C=CCC1(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCCC1 ZINC001530804033 1062637337 /nfs/dbraw/zinc/63/73/37/1062637337.db2.gz NJVAFYXATJBWNA-IAGOWNOFSA-N 1 2 370.497 2.614 20 30 FFEDLO C=CCC1(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCCC1 ZINC001530804033 1062637346 /nfs/dbraw/zinc/63/73/46/1062637346.db2.gz NJVAFYXATJBWNA-IAGOWNOFSA-N 1 2 370.497 2.614 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCSCC1 ZINC001523991369 1062680071 /nfs/dbraw/zinc/68/00/71/1062680071.db2.gz KVHUMKCPMGRMPA-UHFFFAOYSA-N 1 2 360.531 2.500 20 30 FFEDLO N#Cc1sc2ccccc2c1S(=O)(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001464677292 1062753392 /nfs/dbraw/zinc/75/33/92/1062753392.db2.gz WOMXGHWOPCLODR-UHFFFAOYSA-N 1 2 372.475 2.853 20 30 FFEDLO N#Cc1ccc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC001437615279 1062888286 /nfs/dbraw/zinc/88/82/86/1062888286.db2.gz FVTROMDIBWXOIE-UHFFFAOYSA-N 1 2 361.361 2.625 20 30 FFEDLO CC[C@@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001495087506 1063441092 /nfs/dbraw/zinc/44/10/92/1063441092.db2.gz IGOSQNPRGHPXER-LSDHHAIUSA-N 1 2 355.490 2.897 20 30 FFEDLO C=CCC(CC=C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001525928428 1063464901 /nfs/dbraw/zinc/46/49/01/1063464901.db2.gz MCXKGNLMHKTTFH-CGTJXYLNSA-N 1 2 370.497 2.636 20 30 FFEDLO C=CCC(CC=C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001525928428 1063464905 /nfs/dbraw/zinc/46/49/05/1063464905.db2.gz MCXKGNLMHKTTFH-CGTJXYLNSA-N 1 2 370.497 2.636 20 30 FFEDLO C=CCC(CC=C)C(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001495385940 1063488263 /nfs/dbraw/zinc/48/82/63/1063488263.db2.gz MXKZBTRYHTXIBU-RCCFBDPRSA-N 1 2 370.497 2.731 20 30 FFEDLO C=CCC(CC=C)C(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001495385940 1063488276 /nfs/dbraw/zinc/48/82/76/1063488276.db2.gz MXKZBTRYHTXIBU-RCCFBDPRSA-N 1 2 370.497 2.731 20 30 FFEDLO CCc1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1c[nH+]ccc1OC ZINC001498642252 1063841780 /nfs/dbraw/zinc/84/17/80/1063841780.db2.gz JOVKGXIKSFBBHR-UHFFFAOYSA-N 1 2 362.437 2.800 20 30 FFEDLO C#C[C@H](NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC001469382895 1064138098 /nfs/dbraw/zinc/13/80/98/1064138098.db2.gz AZUURLPMGUYRES-UTKZUKDTSA-N 1 2 365.452 2.827 20 30 FFEDLO C#CC[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)CC2CCC(C)(C)CC2)CC1 ZINC001574985808 1078098148 /nfs/dbraw/zinc/09/81/48/1078098148.db2.gz LMHPFKURIJOIAR-UHFFFAOYSA-N 1 2 371.529 2.837 20 30 FFEDLO Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C#N ZINC001471297514 1064630788 /nfs/dbraw/zinc/63/07/88/1064630788.db2.gz AFLKLFLFCCXTPG-UHFFFAOYSA-N 1 2 373.460 2.766 20 30 FFEDLO Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1C#N ZINC001471299571 1064631081 /nfs/dbraw/zinc/63/10/81/1064631081.db2.gz ZWTTWMDZBXVJEL-UHFFFAOYSA-N 1 2 354.479 2.956 20 30 FFEDLO C=CCC[C@@H](C)[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)[C@H](C)SC)CC1 ZINC001575087346 1078104667 /nfs/dbraw/zinc/10/46/67/1078104667.db2.gz DPZZMIJSTXHOCD-CABCVRRESA-N 1 2 365.547 2.704 20 30 FFEDLO C=CCCC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)CC(C)(F)F)CC1 ZINC001575093529 1078105964 /nfs/dbraw/zinc/10/59/64/1078105964.db2.gz MGYQJNAZIBJBIL-UHFFFAOYSA-N 1 2 355.433 2.609 20 30 FFEDLO C[C@H](CN(C)C(=O)c1ccc(-c2cn[nH]n2)cc1)[NH2+]Cc1ccccc1C#N ZINC001575556070 1078152906 /nfs/dbraw/zinc/15/29/06/1078152906.db2.gz NNUQKTPTGQPEOV-OAHLLOKOSA-N 1 2 374.448 2.594 20 30 FFEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O)C(=O)OCC ZINC001474686098 1065579456 /nfs/dbraw/zinc/57/94/56/1065579456.db2.gz LKVMXRJTFJQOIH-WMLDXEAASA-N 1 2 358.438 2.549 20 30 FFEDLO C#CCOCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(OC)c1 ZINC001560109953 1076228762 /nfs/dbraw/zinc/22/87/62/1076228762.db2.gz WPNXSVAZFRRUSP-LJQANCHMSA-N 1 2 374.481 2.939 20 30 FFEDLO C#CCOCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(OC)c1 ZINC001560109953 1076228765 /nfs/dbraw/zinc/22/87/65/1076228765.db2.gz WPNXSVAZFRRUSP-LJQANCHMSA-N 1 2 374.481 2.939 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+](C)CCc1ccc2c(c1)OCO2 ZINC001560148496 1076237114 /nfs/dbraw/zinc/23/71/14/1076237114.db2.gz WEYQVOZCGZHTNB-IBGZPJMESA-N 1 2 352.390 2.676 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1ccc2c(c1)OCO2 ZINC001560148496 1076237115 /nfs/dbraw/zinc/23/71/15/1076237115.db2.gz WEYQVOZCGZHTNB-IBGZPJMESA-N 1 2 352.390 2.676 20 30 FFEDLO C=CCC[C@H]([NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)C(=O)OCC ZINC001560837347 1076303374 /nfs/dbraw/zinc/30/33/74/1076303374.db2.gz OSFNWGBIYVWSBU-ZRGWGRIASA-N 1 2 352.475 2.731 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001565883071 1076777256 /nfs/dbraw/zinc/77/72/56/1076777256.db2.gz WYBFBILTOCNMLN-YSIASYRMSA-N 1 2 364.493 2.614 20 30 FFEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001565883071 1076777259 /nfs/dbraw/zinc/77/72/59/1076777259.db2.gz WYBFBILTOCNMLN-YSIASYRMSA-N 1 2 364.493 2.614 20 30 FFEDLO Cc1nc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](NC(=O)[C@@H](C)C#N)C2)c(C)o1 ZINC001565998657 1076833514 /nfs/dbraw/zinc/83/35/14/1076833514.db2.gz CMLSKPUGSVPCHA-BOUXLOLZSA-N 1 2 366.465 2.925 20 30 FFEDLO Cc1nc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](NC(=O)[C@@H](C)C#N)C2)c(C)o1 ZINC001565998657 1076833520 /nfs/dbraw/zinc/83/35/20/1076833520.db2.gz CMLSKPUGSVPCHA-BOUXLOLZSA-N 1 2 366.465 2.925 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)[C@@H]1C ZINC001566082962 1076889629 /nfs/dbraw/zinc/88/96/29/1076889629.db2.gz VIZMRCVANOJZFL-XNJGSVPQSA-N 1 2 356.401 2.719 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)[C@@H]1C ZINC001566082962 1076889632 /nfs/dbraw/zinc/88/96/32/1076889632.db2.gz VIZMRCVANOJZFL-XNJGSVPQSA-N 1 2 356.401 2.719 20 30 FFEDLO C=CCCCC(=O)N(C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001572685488 1077346852 /nfs/dbraw/zinc/34/68/52/1077346852.db2.gz NSOPMOVCABDILR-BRWVUGGUSA-N 1 2 358.486 2.709 20 30 FFEDLO C=CCCCC(=O)N(C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001572685488 1077346857 /nfs/dbraw/zinc/34/68/57/1077346857.db2.gz NSOPMOVCABDILR-BRWVUGGUSA-N 1 2 358.486 2.709 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001573837607 1077814278 /nfs/dbraw/zinc/81/42/78/1077814278.db2.gz CTORTKCODNGVTA-IXDOHACOSA-N 1 2 360.502 2.647 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001574256550 1077940806 /nfs/dbraw/zinc/94/08/06/1077940806.db2.gz XFHNZLVVHKMCPG-OAOYMFHYSA-N 1 2 370.497 2.605 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001574256550 1077940809 /nfs/dbraw/zinc/94/08/09/1077940809.db2.gz XFHNZLVVHKMCPG-OAOYMFHYSA-N 1 2 370.497 2.605 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCCC(C)C)CC1 ZINC001588806302 1080204088 /nfs/dbraw/zinc/20/40/88/1080204088.db2.gz MHTRZJKFTNUBOQ-UHFFFAOYSA-N 1 2 366.513 2.840 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCC(C)(C)C)CC1 ZINC001588813143 1080205286 /nfs/dbraw/zinc/20/52/86/1080205286.db2.gz WDPMZJMRUNYDMS-GOSISDBHSA-N 1 2 373.545 2.754 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000057844773 205245423 /nfs/dbraw/zinc/24/54/23/205245423.db2.gz VXPKQRKLMTXYAO-GFCCVEGCSA-N 1 2 365.359 2.776 20 30 FFEDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccccc1C#N ZINC000007681216 249309825 /nfs/dbraw/zinc/30/98/25/249309825.db2.gz VNKKFFFDVGYMIL-UHFFFAOYSA-N 1 2 350.422 2.977 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccccc1C#N ZINC000007681216 249309829 /nfs/dbraw/zinc/30/98/29/249309829.db2.gz VNKKFFFDVGYMIL-UHFFFAOYSA-N 1 2 350.422 2.977 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000093201609 250023034 /nfs/dbraw/zinc/02/30/34/250023034.db2.gz HDWLGRXPXCAMLS-MSOLQXFVSA-N 1 2 367.453 2.824 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000093201609 250023037 /nfs/dbraw/zinc/02/30/37/250023037.db2.gz HDWLGRXPXCAMLS-MSOLQXFVSA-N 1 2 367.453 2.824 20 30 FFEDLO CC(C)COC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000101555368 250076457 /nfs/dbraw/zinc/07/64/57/250076457.db2.gz MGHNEOOCQWFNNI-INIZCTEOSA-N 1 2 372.469 2.686 20 30 FFEDLO CC(C)COC(=O)N1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000101555368 250076461 /nfs/dbraw/zinc/07/64/61/250076461.db2.gz MGHNEOOCQWFNNI-INIZCTEOSA-N 1 2 372.469 2.686 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000277664588 256224239 /nfs/dbraw/zinc/22/42/39/256224239.db2.gz FEFLFLQEJMVWMX-ZKYQVNSYSA-N 1 2 373.375 2.730 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000277664588 256224240 /nfs/dbraw/zinc/22/42/40/256224240.db2.gz FEFLFLQEJMVWMX-ZKYQVNSYSA-N 1 2 373.375 2.730 20 30 FFEDLO COc1cc(OC)cc([C@H](Nc2nc(C)cc(C#N)n2)c2[nH+]ccn2C)c1 ZINC000280916861 256584450 /nfs/dbraw/zinc/58/44/50/256584450.db2.gz FQYYTOPZKAVRAW-KRWDZBQOSA-N 1 2 364.409 2.609 20 30 FFEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000289504340 257284668 /nfs/dbraw/zinc/28/46/68/257284668.db2.gz QHMZOTKTHDCTRD-UHFFFAOYSA-N 1 2 353.451 2.526 20 30 FFEDLO Cc1nc(N2CCN(c3ccc(C#N)cc3Br)CC2)cc[nH+]1 ZINC000302142434 258090209 /nfs/dbraw/zinc/09/02/09/258090209.db2.gz FOXSMSJXQBVTFR-UHFFFAOYSA-N 1 2 358.243 2.746 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c(C#N)c1C ZINC000331203084 258179697 /nfs/dbraw/zinc/17/96/97/258179697.db2.gz NSKZWTHXZUTCRA-AAEUAGOBSA-N 1 2 361.389 2.563 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c(C#N)c1C ZINC000331203084 258179698 /nfs/dbraw/zinc/17/96/98/258179698.db2.gz NSKZWTHXZUTCRA-AAEUAGOBSA-N 1 2 361.389 2.563 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c(OC(F)F)c1 ZINC000331858171 258203435 /nfs/dbraw/zinc/20/34/35/258203435.db2.gz AWIFIBJAMMXFRE-ARFHVFGLSA-N 1 2 352.381 2.521 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c(OC(F)F)c1 ZINC000331858171 258203436 /nfs/dbraw/zinc/20/34/36/258203436.db2.gz AWIFIBJAMMXFRE-ARFHVFGLSA-N 1 2 352.381 2.521 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000332480984 258232065 /nfs/dbraw/zinc/23/20/65/258232065.db2.gz WQDONRPAUCBFGJ-UHFFFAOYSA-N 1 2 350.831 2.503 20 30 FFEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cnn(-c2ccccc2)c1 ZINC000052685888 506231065 /nfs/dbraw/zinc/23/10/65/506231065.db2.gz ZMOBKTGIBYGOFT-UHFFFAOYSA-N 1 2 351.454 2.647 20 30 FFEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cnn(-c2ccccc2)c1 ZINC000052685888 506231069 /nfs/dbraw/zinc/23/10/69/506231069.db2.gz ZMOBKTGIBYGOFT-UHFFFAOYSA-N 1 2 351.454 2.647 20 30 FFEDLO C=CC[C@@]1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCCN1C(=O)OC(C)(C)C ZINC000368977407 512165665 /nfs/dbraw/zinc/16/56/65/512165665.db2.gz GFKKNTAOZOGWQU-XOBRGWDASA-N 1 2 374.485 2.729 20 30 FFEDLO C=CC[C@@]1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCCN1C(=O)OC(C)(C)C ZINC000368977407 512165669 /nfs/dbraw/zinc/16/56/69/512165669.db2.gz GFKKNTAOZOGWQU-XOBRGWDASA-N 1 2 374.485 2.729 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3cc(F)cc(F)c3)CC2)cc1 ZINC000410163891 512216174 /nfs/dbraw/zinc/21/61/74/512216174.db2.gz UPZLBCHDRRTBLI-UHFFFAOYSA-N 1 2 370.403 2.864 20 30 FFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC000366965925 512272079 /nfs/dbraw/zinc/27/20/79/512272079.db2.gz JHTUKCKQXVESSA-QGZVFWFLSA-N 1 2 374.448 2.572 20 30 FFEDLO C=CCN(CC=C)C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000054009768 506477751 /nfs/dbraw/zinc/47/77/51/506477751.db2.gz RWWIGUMQPGIXCM-SFHVURJKSA-N 1 2 370.453 2.910 20 30 FFEDLO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c1C ZINC000042978987 506683971 /nfs/dbraw/zinc/68/39/71/506683971.db2.gz BVCMBSQEDPJMTD-RXVVDRJESA-N 1 2 356.514 2.868 20 30 FFEDLO Cc1cccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000371293346 512311624 /nfs/dbraw/zinc/31/16/24/512311624.db2.gz VLTBMCPBHQUTKO-TZIWHRDSSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1cccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000371293346 512311626 /nfs/dbraw/zinc/31/16/26/512311626.db2.gz VLTBMCPBHQUTKO-TZIWHRDSSA-N 1 2 352.434 2.680 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1C#N ZINC000068116748 507118834 /nfs/dbraw/zinc/11/88/34/507118834.db2.gz OSUQJGAFVCEHKX-XIKOKIGWSA-N 1 2 362.499 2.621 20 30 FFEDLO C=CCc1ccc(OCC(=O)NCc2ccc(N(C)C)[nH+]c2)c(OC)c1 ZINC000046386685 507128578 /nfs/dbraw/zinc/12/85/78/507128578.db2.gz ZHCHCZAXNDIOJY-UHFFFAOYSA-N 1 2 355.438 2.580 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)/C=C/c3cccc(C#N)c3)c[nH+]2)CCO1 ZINC000046720514 507182099 /nfs/dbraw/zinc/18/20/99/507182099.db2.gz VXHRXXLANRUVGY-BVBGJJFLSA-N 1 2 362.433 2.508 20 30 FFEDLO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023258241 507342630 /nfs/dbraw/zinc/34/26/30/507342630.db2.gz PZODMJAWNYTGPL-RXVVDRJESA-N 1 2 368.525 2.855 20 30 FFEDLO CC[C@H]1CCCCN1C(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258241 507342638 /nfs/dbraw/zinc/34/26/38/507342638.db2.gz PZODMJAWNYTGPL-RXVVDRJESA-N 1 2 368.525 2.855 20 30 FFEDLO N#CC1(C(=O)N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)CCCC1 ZINC000068926944 507363130 /nfs/dbraw/zinc/36/31/30/507363130.db2.gz NGLUNIBXOUFTFC-UHFFFAOYSA-N 1 2 371.872 2.716 20 30 FFEDLO COCC[N@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)Cc1ccc(C#N)cc1 ZINC000069072209 507397309 /nfs/dbraw/zinc/39/73/09/507397309.db2.gz URCDVUALROEPDQ-MBOZVWFJSA-N 1 2 357.498 2.948 20 30 FFEDLO COCC[N@@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)Cc1ccc(C#N)cc1 ZINC000069072209 507397317 /nfs/dbraw/zinc/39/73/17/507397317.db2.gz URCDVUALROEPDQ-MBOZVWFJSA-N 1 2 357.498 2.948 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375464605 512343113 /nfs/dbraw/zinc/34/31/13/512343113.db2.gz JZHGTOPYOKANCA-CYBMUJFWSA-N 1 2 371.828 2.900 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375464605 512343118 /nfs/dbraw/zinc/34/31/18/512343118.db2.gz JZHGTOPYOKANCA-CYBMUJFWSA-N 1 2 371.828 2.900 20 30 FFEDLO N#Cc1cnc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c(Cl)c1 ZINC000060372215 507532808 /nfs/dbraw/zinc/53/28/08/507532808.db2.gz FGMBRHLWXXFWDC-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1cccc(C#N)c1 ZINC000026325709 507577277 /nfs/dbraw/zinc/57/72/77/507577277.db2.gz HXQCFQDOKWQLFG-UHFFFAOYSA-N 1 2 351.406 2.790 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1cccc(C#N)c1 ZINC000026325709 507577283 /nfs/dbraw/zinc/57/72/83/507577283.db2.gz HXQCFQDOKWQLFG-UHFFFAOYSA-N 1 2 351.406 2.790 20 30 FFEDLO COc1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)cc1OCCCC#N ZINC000375473439 512348881 /nfs/dbraw/zinc/34/88/81/512348881.db2.gz YXJPWFXUXYVNSW-MSOLQXFVSA-N 1 2 372.465 2.948 20 30 FFEDLO COc1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)cc1OCCCC#N ZINC000375473439 512348883 /nfs/dbraw/zinc/34/88/83/512348883.db2.gz YXJPWFXUXYVNSW-MSOLQXFVSA-N 1 2 372.465 2.948 20 30 FFEDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2nnc(C)c(C)c2C#N)CC1 ZINC000026713352 507604432 /nfs/dbraw/zinc/60/44/32/507604432.db2.gz NKAXGMWZJKRDAK-UHFFFAOYSA-N 1 2 371.872 2.949 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1C#N ZINC000070828759 507645196 /nfs/dbraw/zinc/64/51/96/507645196.db2.gz UQVSVVIGNFODGE-UHFFFAOYSA-N 1 2 374.510 2.719 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CCCC[C@H]1C(=O)OCC)Cc1cccs1 ZINC000050274365 507675647 /nfs/dbraw/zinc/67/56/47/507675647.db2.gz HGTMMMFUGHZVNG-INIZCTEOSA-N 1 2 350.484 2.680 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CCCC[C@H]1C(=O)OCC)Cc1cccs1 ZINC000050274365 507675655 /nfs/dbraw/zinc/67/56/55/507675655.db2.gz HGTMMMFUGHZVNG-INIZCTEOSA-N 1 2 350.484 2.680 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000050231526 507676540 /nfs/dbraw/zinc/67/65/40/507676540.db2.gz OJMUVJWQUMKHBG-ICSRJNTNSA-N 1 2 361.461 2.861 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000050231526 507676544 /nfs/dbraw/zinc/67/65/44/507676544.db2.gz OJMUVJWQUMKHBG-ICSRJNTNSA-N 1 2 361.461 2.861 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H](O)COc3ccc(F)cc3)CCO2)c1 ZINC000367142043 512357015 /nfs/dbraw/zinc/35/70/15/512357015.db2.gz TUHGTYBESXVREL-UYAOXDASSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H](O)COc3ccc(F)cc3)CCO2)c1 ZINC000367142043 512357019 /nfs/dbraw/zinc/35/70/19/512357019.db2.gz TUHGTYBESXVREL-UYAOXDASSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H](N3CC[NH+](Cc4ccsc4)CC3)C2=O)cc1 ZINC000028748888 507741302 /nfs/dbraw/zinc/74/13/02/507741302.db2.gz HQJYENRSULVDHB-LJQANCHMSA-N 1 2 366.490 2.543 20 30 FFEDLO C=CCNC(=O)[C@@H](C)N1CC[NH+]([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000029159488 507764892 /nfs/dbraw/zinc/76/48/92/507764892.db2.gz OVFNRKCTGDKAHN-CABCVRRESA-N 1 2 358.511 2.666 20 30 FFEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c(F)c1 ZINC000029594608 507783051 /nfs/dbraw/zinc/78/30/51/507783051.db2.gz TVBQWZSIHSUNPD-UHFFFAOYSA-N 1 2 367.424 2.786 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)C[C@H](C)C#N ZINC000064248828 507787680 /nfs/dbraw/zinc/78/76/80/507787680.db2.gz GOTJDLZIOZBNLD-NVXWUHKLSA-N 1 2 357.454 2.603 20 30 FFEDLO CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)C[C@H](C)C#N ZINC000064248828 507787681 /nfs/dbraw/zinc/78/76/81/507787681.db2.gz GOTJDLZIOZBNLD-NVXWUHKLSA-N 1 2 357.454 2.603 20 30 FFEDLO CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000090127734 507909899 /nfs/dbraw/zinc/90/98/99/507909899.db2.gz DIECQXXGIQTFHS-GOSISDBHSA-N 1 2 356.470 2.816 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000079933608 508016355 /nfs/dbraw/zinc/01/63/55/508016355.db2.gz CZOXMTXOCZICEB-OAHLLOKOSA-N 1 2 352.413 2.847 20 30 FFEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000110305588 508019445 /nfs/dbraw/zinc/01/94/45/508019445.db2.gz ULEIBUKCASYXHG-PQUAAJSLSA-N 1 2 372.488 2.903 20 30 FFEDLO COc1ccc(CCC(=O)N2CC[NH+](Cc3cc(C#N)cs3)CC2)cc1 ZINC000092534325 508080315 /nfs/dbraw/zinc/08/03/15/508080315.db2.gz FIFJOWVPHZIYTM-UHFFFAOYSA-N 1 2 369.490 2.905 20 30 FFEDLO C=CC1CCN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000111479009 508102728 /nfs/dbraw/zinc/10/27/28/508102728.db2.gz RANQALDKPSFSGN-UHFFFAOYSA-N 1 2 373.497 2.505 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075551007 508116232 /nfs/dbraw/zinc/11/62/32/508116232.db2.gz MHLLFEUQORPEOF-MRXNPFEDSA-N 1 2 368.437 2.855 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081048118 508130357 /nfs/dbraw/zinc/13/03/57/508130357.db2.gz AIRVHWXVHSUSFE-LKFCYVNXSA-N 1 2 361.751 2.538 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081048118 508130359 /nfs/dbraw/zinc/13/03/59/508130359.db2.gz AIRVHWXVHSUSFE-LKFCYVNXSA-N 1 2 361.751 2.538 20 30 FFEDLO CC[N@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCN(c2ccccc2)C1=O ZINC000093362418 508141995 /nfs/dbraw/zinc/14/19/95/508141995.db2.gz AUTYEJNUHKYILS-IBGZPJMESA-N 1 2 359.433 2.833 20 30 FFEDLO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCN(c2ccccc2)C1=O ZINC000093362418 508141997 /nfs/dbraw/zinc/14/19/97/508141997.db2.gz AUTYEJNUHKYILS-IBGZPJMESA-N 1 2 359.433 2.833 20 30 FFEDLO Cc1cccc(OCC[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000081512384 508183525 /nfs/dbraw/zinc/18/35/25/508183525.db2.gz MIMMYBAWFPKOKH-UHFFFAOYSA-N 1 2 358.463 2.651 20 30 FFEDLO Cc1cccc(OCC[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000081512384 508183527 /nfs/dbraw/zinc/18/35/27/508183527.db2.gz MIMMYBAWFPKOKH-UHFFFAOYSA-N 1 2 358.463 2.651 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)nc(-c3ccco3)nc2SC)CC1 ZINC000081624070 508197890 /nfs/dbraw/zinc/19/78/90/508197890.db2.gz HAMSKCHLCZWAHK-UHFFFAOYSA-N 1 2 370.478 2.548 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000076405371 508201646 /nfs/dbraw/zinc/20/16/46/508201646.db2.gz WKEWDNAUWPQPPH-UHFFFAOYSA-N 1 2 350.422 2.917 20 30 FFEDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083168432 508238189 /nfs/dbraw/zinc/23/81/89/508238189.db2.gz IPQCSVRRFCPGRD-OAHLLOKOSA-N 1 2 356.407 2.765 20 30 FFEDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083168432 508238190 /nfs/dbraw/zinc/23/81/90/508238190.db2.gz IPQCSVRRFCPGRD-OAHLLOKOSA-N 1 2 356.407 2.765 20 30 FFEDLO CCc1ccc([C@H]2COCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)o1 ZINC000077176632 508284086 /nfs/dbraw/zinc/28/40/86/508284086.db2.gz XVHDMAVHLCJKFN-FXAWDEMLSA-N 1 2 370.449 2.721 20 30 FFEDLO CCc1ccc([C@H]2COCC[N@H+]2C[C@H](O)COc2ccc(CC#N)cc2)o1 ZINC000077176632 508284089 /nfs/dbraw/zinc/28/40/89/508284089.db2.gz XVHDMAVHLCJKFN-FXAWDEMLSA-N 1 2 370.449 2.721 20 30 FFEDLO C[NH+](C)[C@H](CNC(=O)c1ccccc1OCC#N)c1c(F)cccc1F ZINC000115413895 508392237 /nfs/dbraw/zinc/39/22/37/508392237.db2.gz RTNJOVUFDXMGIL-MRXNPFEDSA-N 1 2 359.376 2.900 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2OC)CC1 ZINC000115551519 508407730 /nfs/dbraw/zinc/40/77/30/508407730.db2.gz QFKYWEZIMDPPAF-MRXNPFEDSA-N 1 2 361.461 2.545 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000115557207 508408865 /nfs/dbraw/zinc/40/88/65/508408865.db2.gz OOTGNAYDAQUDOJ-LJQANCHMSA-N 1 2 353.397 2.767 20 30 FFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)C(N)=O)cc1 ZINC000115597424 508416086 /nfs/dbraw/zinc/41/60/86/508416086.db2.gz WSYRLEQLRBZWDV-LJQANCHMSA-N 1 2 350.422 2.591 20 30 FFEDLO N#CC[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)C1CCCC1 ZINC000156711619 508466386 /nfs/dbraw/zinc/46/63/86/508466386.db2.gz PBMAWBUNQBSHTJ-UHFFFAOYSA-N 1 2 354.454 2.910 20 30 FFEDLO N#CC[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)C1CCCC1 ZINC000156711619 508466388 /nfs/dbraw/zinc/46/63/88/508466388.db2.gz PBMAWBUNQBSHTJ-UHFFFAOYSA-N 1 2 354.454 2.910 20 30 FFEDLO Cc1cc(C#N)ccc1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000122394611 508528099 /nfs/dbraw/zinc/52/80/99/508528099.db2.gz BYVUJNPPISEELZ-FQEVSTJZSA-N 1 2 363.461 2.540 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])c(C#N)c3)c[nH+]2)CCO1 ZINC000157677610 508596221 /nfs/dbraw/zinc/59/62/21/508596221.db2.gz LTPULYHCHTUCLD-CYBMUJFWSA-N 1 2 353.382 2.699 20 30 FFEDLO CC[C@@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000157844292 508620789 /nfs/dbraw/zinc/62/07/89/508620789.db2.gz QZMXEUZHOXJICJ-IBGZPJMESA-N 1 2 357.498 2.953 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135619598 508633074 /nfs/dbraw/zinc/63/30/74/508633074.db2.gz YCQAFIFRPHWUCH-INIZCTEOSA-N 1 2 364.511 2.533 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCOC2(CCOCC2)C1 ZINC000135619598 508633077 /nfs/dbraw/zinc/63/30/77/508633077.db2.gz YCQAFIFRPHWUCH-INIZCTEOSA-N 1 2 364.511 2.533 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](c3nncn3C(C)C)C2)c(C#N)c1C ZINC000118860827 508687997 /nfs/dbraw/zinc/68/79/97/508687997.db2.gz XBNPPPBUHRQNTQ-OAHLLOKOSA-N 1 2 370.457 2.759 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](c3nncn3C(C)C)C2)c(C#N)c1C ZINC000118860827 508687999 /nfs/dbraw/zinc/68/79/99/508687999.db2.gz XBNPPPBUHRQNTQ-OAHLLOKOSA-N 1 2 370.457 2.759 20 30 FFEDLO Cn1c2ccc(NC(=O)CNC(=O)c3ccc(C#N)cc3)cc2[nH+]c1C1CC1 ZINC000129533980 508737440 /nfs/dbraw/zinc/73/74/40/508737440.db2.gz RDSPLIJCZBNEPM-UHFFFAOYSA-N 1 2 373.416 2.691 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000154634593 508822943 /nfs/dbraw/zinc/82/29/43/508822943.db2.gz BKTOWXMIHUXJCM-GOSISDBHSA-N 1 2 370.497 2.734 20 30 FFEDLO C=CCCOCC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000150186193 508876210 /nfs/dbraw/zinc/87/62/10/508876210.db2.gz MXTJKQUFQVYFES-UHFFFAOYSA-N 1 2 351.450 2.853 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000131202145 508899712 /nfs/dbraw/zinc/89/97/12/508899712.db2.gz WOIFTYYWTMDICL-CYBMUJFWSA-N 1 2 362.499 2.605 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000131202145 508899714 /nfs/dbraw/zinc/89/97/14/508899714.db2.gz WOIFTYYWTMDICL-CYBMUJFWSA-N 1 2 362.499 2.605 20 30 FFEDLO COc1cccc([C@@H]2C[N@H+](CCC(=O)Nc3ccccc3C#N)CCO2)c1 ZINC000120326768 508974019 /nfs/dbraw/zinc/97/40/19/508974019.db2.gz LWSZIZCXFMXJBG-FQEVSTJZSA-N 1 2 365.433 2.969 20 30 FFEDLO COc1cccc([C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3C#N)CCO2)c1 ZINC000120326768 508974022 /nfs/dbraw/zinc/97/40/22/508974022.db2.gz LWSZIZCXFMXJBG-FQEVSTJZSA-N 1 2 365.433 2.969 20 30 FFEDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3ccc(F)c(C#N)c3)CC2)C1 ZINC000120502177 509009230 /nfs/dbraw/zinc/00/92/30/509009230.db2.gz DXBBWJVWVODPES-LPHOPBHVSA-N 1 2 372.488 2.510 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000160688779 509020622 /nfs/dbraw/zinc/02/06/22/509020622.db2.gz XNOFWVGCJVMBSO-FCEWJHQRSA-N 1 2 373.497 2.675 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000160688779 509020626 /nfs/dbraw/zinc/02/06/26/509020626.db2.gz XNOFWVGCJVMBSO-FCEWJHQRSA-N 1 2 373.497 2.675 20 30 FFEDLO CCN(CC#N)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000161549436 509127933 /nfs/dbraw/zinc/12/79/33/509127933.db2.gz MSASGDAYTJOIMP-HNNXBMFYSA-N 1 2 350.260 2.958 20 30 FFEDLO COc1cc(OC)c(OC)cc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000126935044 509149614 /nfs/dbraw/zinc/14/96/14/509149614.db2.gz QSDHFJZWXOLOSI-UHFFFAOYSA-N 1 2 367.449 2.906 20 30 FFEDLO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000161859806 509158990 /nfs/dbraw/zinc/15/89/90/509158990.db2.gz PVCIZYZTCLWJGE-CQSZACIVSA-N 1 2 358.471 2.610 20 30 FFEDLO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000161859806 509158995 /nfs/dbraw/zinc/15/89/95/509158995.db2.gz PVCIZYZTCLWJGE-CQSZACIVSA-N 1 2 358.471 2.610 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000263870746 509197972 /nfs/dbraw/zinc/19/79/72/509197972.db2.gz FTSONZSUVLPAHW-AWEZNQCLSA-N 1 2 357.454 2.939 20 30 FFEDLO COc1ccc([C@H](CCO)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000182384457 509206393 /nfs/dbraw/zinc/20/63/93/509206393.db2.gz AQKGPUZCSVFWQA-SFHVURJKSA-N 1 2 364.405 2.830 20 30 FFEDLO CC1CCC(NC(=O)C[NH+]2CCN(Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000192099666 509345785 /nfs/dbraw/zinc/34/57/85/509345785.db2.gz RBMHIDNBHZSADM-UHFFFAOYSA-N 1 2 372.488 2.510 20 30 FFEDLO N#Cc1ccc(SCC(=O)NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000264189299 509371020 /nfs/dbraw/zinc/37/10/20/509371020.db2.gz PZCKAPWREBTZIV-UHFFFAOYSA-N 1 2 357.504 2.886 20 30 FFEDLO N#Cc1ccc(SCC(=O)NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000264189299 509371027 /nfs/dbraw/zinc/37/10/27/509371027.db2.gz PZCKAPWREBTZIV-UHFFFAOYSA-N 1 2 357.504 2.886 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000267431883 509477745 /nfs/dbraw/zinc/47/77/45/509477745.db2.gz OBMHLKSSJWACJK-GDBMZVCRSA-N 1 2 372.469 2.826 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000267431883 509477753 /nfs/dbraw/zinc/47/77/53/509477753.db2.gz OBMHLKSSJWACJK-GDBMZVCRSA-N 1 2 372.469 2.826 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000267590714 509555603 /nfs/dbraw/zinc/55/56/03/509555603.db2.gz JBIGUWGFTXBJNV-WBVHZDCISA-N 1 2 373.453 2.619 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000267590714 509555609 /nfs/dbraw/zinc/55/56/09/509555609.db2.gz JBIGUWGFTXBJNV-WBVHZDCISA-N 1 2 373.453 2.619 20 30 FFEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000186297128 509631490 /nfs/dbraw/zinc/63/14/90/509631490.db2.gz HDMQCTFOEPJEFD-UHFFFAOYSA-N 1 2 364.405 2.733 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000249303775 509652874 /nfs/dbraw/zinc/65/28/74/509652874.db2.gz HZIXWCNKUTZXJW-HOCLYGCPSA-N 1 2 351.406 2.657 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000249303775 509652882 /nfs/dbraw/zinc/65/28/82/509652882.db2.gz HZIXWCNKUTZXJW-HOCLYGCPSA-N 1 2 351.406 2.657 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+]([C@H]3CCN(CC(F)(F)F)C3=O)CC2)cc1 ZINC000264760767 509688376 /nfs/dbraw/zinc/68/83/76/509688376.db2.gz YTCGWMPKRUGZQY-INIZCTEOSA-N 1 2 367.371 2.565 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)N[C@H](C)c2ccccc2OC)cc1 ZINC000264897701 509763015 /nfs/dbraw/zinc/76/30/15/509763015.db2.gz AWQKDMHFHAYNAK-KGLIPLIRSA-N 1 2 371.437 2.607 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000173857796 509821144 /nfs/dbraw/zinc/82/11/44/509821144.db2.gz ZWTLEXVPIOXJIF-KDOFPFPSSA-N 1 2 351.441 2.724 20 30 FFEDLO C=CCNC(=O)[C@@H](C)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000173857796 509821149 /nfs/dbraw/zinc/82/11/49/509821149.db2.gz ZWTLEXVPIOXJIF-KDOFPFPSSA-N 1 2 351.441 2.724 20 30 FFEDLO COc1ccc([C@@H](NC(=O)c2ccc(C#N)c(O)c2)c2[nH+]ccn2C)cc1 ZINC000190008253 509882435 /nfs/dbraw/zinc/88/24/35/509882435.db2.gz IAMXFYRJGGGJSV-GOSISDBHSA-N 1 2 362.389 2.525 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000265206284 509920083 /nfs/dbraw/zinc/92/00/83/509920083.db2.gz QTIDUEQIOAVPSG-MRXNPFEDSA-N 1 2 365.437 2.895 20 30 FFEDLO Cc1cccc([C@@H](CNc2nccc(C#N)c2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000268498394 509970046 /nfs/dbraw/zinc/97/00/46/509970046.db2.gz PNZFGVHKVIZAPT-QGZVFWFLSA-N 1 2 367.409 2.655 20 30 FFEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(NC(=O)[C@@H]4CCCO4)cc3)n2c1 ZINC000174288481 510040121 /nfs/dbraw/zinc/04/01/21/510040121.db2.gz FQLDXPLFVSZUHL-SFHVURJKSA-N 1 2 361.405 2.936 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000183947011 510051480 /nfs/dbraw/zinc/05/14/80/510051480.db2.gz MAWFUMWMNCVBFA-MRXNPFEDSA-N 1 2 367.424 2.982 20 30 FFEDLO CCOc1ccc(C(C)=O)cc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193773507 510062190 /nfs/dbraw/zinc/06/21/90/510062190.db2.gz AKSHKLAGWYETAC-UHFFFAOYSA-N 1 2 364.449 2.877 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c(C#N)c1C ZINC000245721969 510107679 /nfs/dbraw/zinc/10/76/79/510107679.db2.gz UVZCYTFGEADCNA-HACGYAERSA-N 1 2 355.442 2.875 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c(C#N)c1C ZINC000245721969 510107687 /nfs/dbraw/zinc/10/76/87/510107687.db2.gz UVZCYTFGEADCNA-HACGYAERSA-N 1 2 355.442 2.875 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000265821653 510248575 /nfs/dbraw/zinc/24/85/75/510248575.db2.gz IKYRATNMNIYZPD-RHSMWYFYSA-N 1 2 372.469 2.732 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000265821653 510248582 /nfs/dbraw/zinc/24/85/82/510248582.db2.gz IKYRATNMNIYZPD-RHSMWYFYSA-N 1 2 372.469 2.732 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+](C)C[C@@H]2COc3ccccc3O2)c(C#N)c1C ZINC000177846420 510286594 /nfs/dbraw/zinc/28/65/94/510286594.db2.gz RJQLBONCYQUIJX-CQSZACIVSA-N 1 2 371.462 2.947 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+](C)C[C@@H]2COc3ccccc3O2)c(C#N)c1C ZINC000177846420 510286602 /nfs/dbraw/zinc/28/66/02/510286602.db2.gz RJQLBONCYQUIJX-CQSZACIVSA-N 1 2 371.462 2.947 20 30 FFEDLO C=CC[N@@H+](CCOc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000171748469 510345477 /nfs/dbraw/zinc/34/54/77/510345477.db2.gz NLZJSRKSWGVESZ-AWEZNQCLSA-N 1 2 363.401 2.759 20 30 FFEDLO C=CC[N@H+](CCOc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000171748469 510345486 /nfs/dbraw/zinc/34/54/86/510345486.db2.gz NLZJSRKSWGVESZ-AWEZNQCLSA-N 1 2 363.401 2.759 20 30 FFEDLO CC(C)(CNc1ccc(C#N)c(C(F)(F)F)c1)[NH+]1CCS(=O)CC1 ZINC000269585047 510472466 /nfs/dbraw/zinc/47/24/66/510472466.db2.gz QVLGSKMOOFWBRU-UHFFFAOYSA-N 1 2 359.417 2.832 20 30 FFEDLO C=CC[N@@H+](Cc1cc(Br)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000172015072 510499282 /nfs/dbraw/zinc/49/92/82/510499282.db2.gz HDALLCMUOYCYIT-NSHDSACASA-N 1 2 350.303 2.686 20 30 FFEDLO C=CC[N@H+](Cc1cc(Br)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000172015072 510499285 /nfs/dbraw/zinc/49/92/85/510499285.db2.gz HDALLCMUOYCYIT-NSHDSACASA-N 1 2 350.303 2.686 20 30 FFEDLO CCOCCC1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000269822180 510559898 /nfs/dbraw/zinc/55/98/98/510559898.db2.gz XTRKXHXRGADLEW-UHFFFAOYSA-N 1 2 370.497 2.592 20 30 FFEDLO Cc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)c1 ZINC000178394542 510579940 /nfs/dbraw/zinc/57/99/40/510579940.db2.gz UHUXPJPAEFFIMT-UHFFFAOYSA-N 1 2 369.490 2.682 20 30 FFEDLO C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000270031927 510646396 /nfs/dbraw/zinc/64/63/96/510646396.db2.gz HDZLYNAWFUHORI-CYBMUJFWSA-N 1 2 366.450 2.948 20 30 FFEDLO C=CCNC(=O)c1ccc(NCc2ccc(N(C)CCOC)[nH+]c2)cc1 ZINC000195126368 510678812 /nfs/dbraw/zinc/67/88/12/510678812.db2.gz MMIDLKJZGPWXKU-UHFFFAOYSA-N 1 2 354.454 2.692 20 30 FFEDLO N#Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1O ZINC000188324515 510709435 /nfs/dbraw/zinc/70/94/35/510709435.db2.gz FRCPIKXHAFZJJC-UHFFFAOYSA-N 1 2 350.422 2.969 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2c(Br)cccc2C1 ZINC000195330108 510788417 /nfs/dbraw/zinc/78/84/17/510788417.db2.gz TWMDEIZAHBIYMU-GFCCVEGCSA-N 1 2 350.260 2.568 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCc2c(Br)cccc2C1 ZINC000195330108 510788425 /nfs/dbraw/zinc/78/84/25/510788425.db2.gz TWMDEIZAHBIYMU-GFCCVEGCSA-N 1 2 350.260 2.568 20 30 FFEDLO C[C@](C#N)(NC(=O)CNc1cccc2c1CN(c1cccc[nH+]1)C2)C1CC1 ZINC000270403957 510795156 /nfs/dbraw/zinc/79/51/56/510795156.db2.gz LIUGMWCNYGOQHE-OAQYLSRUSA-N 1 2 361.449 2.822 20 30 FFEDLO CC#CCCCC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000185298371 510795431 /nfs/dbraw/zinc/79/54/31/510795431.db2.gz DBTKODHVDWRYLS-UHFFFAOYSA-N 1 2 358.873 2.826 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000178833685 510796094 /nfs/dbraw/zinc/79/60/94/510796094.db2.gz UZBKMHSDWREQGT-CYBMUJFWSA-N 1 2 363.845 2.814 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000178833685 510796098 /nfs/dbraw/zinc/79/60/98/510796098.db2.gz UZBKMHSDWREQGT-CYBMUJFWSA-N 1 2 363.845 2.814 20 30 FFEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000195415147 510817442 /nfs/dbraw/zinc/81/74/42/510817442.db2.gz CZPLTDQCNNOVPL-UHFFFAOYSA-N 1 2 364.371 2.807 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000172616897 510823188 /nfs/dbraw/zinc/82/31/88/510823188.db2.gz VTWKIHPIPVNHQX-NWDGAFQWSA-N 1 2 368.828 2.932 20 30 FFEDLO CCN1CCN(C(=O)NCCc2ccc(Cl)s2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329954954 510886269 /nfs/dbraw/zinc/88/62/69/510886269.db2.gz KJYNVAPJHWVQIL-ZDUSSCGKSA-N 1 2 367.906 2.960 20 30 FFEDLO COc1cc(Cl)c(Cl)cc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000330144713 510924483 /nfs/dbraw/zinc/92/44/83/510924483.db2.gz ZRRDPPLZFVAPGX-OCCSQVGLSA-N 1 2 360.241 2.562 20 30 FFEDLO COc1cc(Cl)c(Cl)cc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000330144713 510924489 /nfs/dbraw/zinc/92/44/89/510924489.db2.gz ZRRDPPLZFVAPGX-OCCSQVGLSA-N 1 2 360.241 2.562 20 30 FFEDLO Cc1ccc([C@H](CNC(=O)N[C@H]2CCCSC2)[NH+]2CCOCC2)cc1 ZINC000330162631 510928780 /nfs/dbraw/zinc/92/87/80/510928780.db2.gz URURQRBKHLMCRS-ROUUACIJSA-N 1 2 363.527 2.768 20 30 FFEDLO O=C(NC1CN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1)C1CCC1 ZINC000330168776 510929694 /nfs/dbraw/zinc/92/96/94/510929694.db2.gz CUPHHWKGTOVLKO-UHFFFAOYSA-N 1 2 361.833 2.843 20 30 FFEDLO CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCCC[C@@H]3c3[nH]cc[nH+]3)c2C1 ZINC000330183224 510932764 /nfs/dbraw/zinc/93/27/64/510932764.db2.gz PQYATCCFJVIHJV-GDBMZVCRSA-N 1 2 370.457 2.512 20 30 FFEDLO COc1cccc(C(=O)N2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)c1 ZINC000282333282 510935388 /nfs/dbraw/zinc/93/53/88/510935388.db2.gz OFVJNOYRPSMCKH-UHFFFAOYSA-N 1 2 365.433 2.533 20 30 FFEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000330214549 510939076 /nfs/dbraw/zinc/93/90/76/510939076.db2.gz GFPHOUZPHMEKPB-HNNXBMFYSA-N 1 2 366.506 2.714 20 30 FFEDLO Cn1cc(C[NH+]2CCN(C(=O)NC[C@H]3CCCCC(F)(F)C3)CC2)cn1 ZINC000330218802 510940436 /nfs/dbraw/zinc/94/04/36/510940436.db2.gz OZGVBOLQAHMEAD-HNNXBMFYSA-N 1 2 369.460 2.667 20 30 FFEDLO C[N@H+](CCNC(=O)OC(C)(C)C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000297430357 510942486 /nfs/dbraw/zinc/94/24/86/510942486.db2.gz NFSWGTFICMFEOU-UHFFFAOYSA-N 1 2 366.849 2.607 20 30 FFEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000297430357 510942489 /nfs/dbraw/zinc/94/24/89/510942489.db2.gz NFSWGTFICMFEOU-UHFFFAOYSA-N 1 2 366.849 2.607 20 30 FFEDLO C=CC[C@@]1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000276644274 510943870 /nfs/dbraw/zinc/94/38/70/510943870.db2.gz XYZUBHRQRIAFCN-KXBFYZLASA-N 1 2 362.474 2.734 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)CSC[C@@H]2CCCCO2)CCO1 ZINC000330322963 510963310 /nfs/dbraw/zinc/96/33/10/510963310.db2.gz HFTIVRJIFPEZRU-YCPHGPKFSA-N 1 2 353.488 2.899 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NC[C@H]2CCc3ccccc32)CCO1 ZINC000330319170 510963616 /nfs/dbraw/zinc/96/36/16/510963616.db2.gz CYXJULNSIWVQDS-MDZRGWNJSA-N 1 2 354.454 2.874 20 30 FFEDLO CC[C@@]1(O)CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000330325922 510964498 /nfs/dbraw/zinc/96/44/98/510964498.db2.gz UXGORTDTVFONIJ-CXAGYDPISA-N 1 2 352.504 2.767 20 30 FFEDLO CC[C@@]1(O)CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000330325922 510964501 /nfs/dbraw/zinc/96/45/01/510964501.db2.gz UXGORTDTVFONIJ-CXAGYDPISA-N 1 2 352.504 2.767 20 30 FFEDLO Cc1nn(CC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c(C)c1Cl ZINC000330336407 510968227 /nfs/dbraw/zinc/96/82/27/510968227.db2.gz SKLSOVAKDSRRCJ-TZMCWYRMSA-N 1 2 351.838 2.764 20 30 FFEDLO CC(=O)Nc1cccc(NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000330337758 510968684 /nfs/dbraw/zinc/96/86/84/510968684.db2.gz UJPKTMATYPBDAU-QGZVFWFLSA-N 1 2 370.457 2.871 20 30 FFEDLO CCN1CCN(C(=O)Nc2cc(F)c(F)c(F)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330342046 510970976 /nfs/dbraw/zinc/97/09/76/510970976.db2.gz AKQRNJYDWLPVDT-ZDUSSCGKSA-N 1 2 353.348 2.751 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2cnc(C(C)(C)C)nc2)CCO1 ZINC000330356467 510973372 /nfs/dbraw/zinc/97/33/72/510973372.db2.gz RPVATEBMJJFHSE-DOMZBBRYSA-N 1 2 358.446 2.754 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278374126 510991482 /nfs/dbraw/zinc/99/14/82/510991482.db2.gz SZFAKWQZFQWAHS-OAHLLOKOSA-N 1 2 374.460 2.795 20 30 FFEDLO CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc3c[nH+]cn3c2)C1=O ZINC000286146755 511020162 /nfs/dbraw/zinc/02/01/62/511020162.db2.gz ZGMZSEMCFHMZAZ-LJQANCHMSA-N 1 2 371.441 2.650 20 30 FFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000330847599 511022970 /nfs/dbraw/zinc/02/29/70/511022970.db2.gz PGXIPTIIVCYUDG-UFBFGSQYSA-N 1 2 358.186 2.948 20 30 FFEDLO C=CCCCNC(=O)C(=O)N1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000288607542 511081724 /nfs/dbraw/zinc/08/17/24/511081724.db2.gz OSTFKNZGQCBHHB-UHFFFAOYSA-N 1 2 368.481 2.845 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000361986498 511112099 /nfs/dbraw/zinc/11/20/99/511112099.db2.gz PNDGXPFMWRPGJN-KDOFPFPSSA-N 1 2 369.469 2.570 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)C(C)(C)CO ZINC000298016273 511143691 /nfs/dbraw/zinc/14/36/91/511143691.db2.gz DAZDDWUYOUYWED-OAHLLOKOSA-N 1 2 372.473 2.730 20 30 FFEDLO COCCN(C)c1ccc(/C=C2\Oc3c(ccc(OC)c3OC)C2=O)c[nH+]1 ZINC000282963470 511178833 /nfs/dbraw/zinc/17/88/33/511178833.db2.gz ISQUVJBJIBYXRU-WJDWOHSUSA-N 1 2 370.405 2.798 20 30 FFEDLO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000283171146 511263657 /nfs/dbraw/zinc/26/36/57/511263657.db2.gz FWPUDBOUZWOEOL-HNNXBMFYSA-N 1 2 355.490 2.793 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000298449850 511288850 /nfs/dbraw/zinc/28/88/50/511288850.db2.gz GSUXEZPGLQNAJV-UHFFFAOYSA-N 1 2 361.445 2.769 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](c3ccncc3)C2)C1=O ZINC000298473119 511295854 /nfs/dbraw/zinc/29/58/54/511295854.db2.gz ITMLBDPVRBROAN-DLBZAZTESA-N 1 2 352.463 3.000 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](c3ccncc3)C2)C1=O ZINC000298473119 511295856 /nfs/dbraw/zinc/29/58/56/511295856.db2.gz ITMLBDPVRBROAN-DLBZAZTESA-N 1 2 352.463 3.000 20 30 FFEDLO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1ncn(C)n1 ZINC000298605373 511345428 /nfs/dbraw/zinc/34/54/28/511345428.db2.gz SQHOPZPYQIBPKB-RYUDHWBXSA-N 1 2 372.498 2.552 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000295289364 511349597 /nfs/dbraw/zinc/34/95/97/511349597.db2.gz MSBNWQGUUXLWDF-UHFFFAOYSA-N 1 2 362.470 2.569 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1(C)C ZINC000295349643 511372124 /nfs/dbraw/zinc/37/21/24/511372124.db2.gz RFIHZVRNPVGGEN-AWEZNQCLSA-N 1 2 364.858 2.717 20 30 FFEDLO C[C@H]1CN(c2ccc(Nc3ncc(C#N)cc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000295638373 511468261 /nfs/dbraw/zinc/46/82/61/511468261.db2.gz XZOKPZVYCPPUHD-RYUDHWBXSA-N 1 2 354.370 2.614 20 30 FFEDLO CC(C)[C@H](C#N)NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000272815894 511507999 /nfs/dbraw/zinc/50/79/99/511507999.db2.gz ODALFGFRSBFOAE-INIZCTEOSA-N 1 2 352.438 2.821 20 30 FFEDLO N#CCOc1ccccc1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000299110985 511518431 /nfs/dbraw/zinc/51/84/31/511518431.db2.gz XSKLFVZTWGZMTJ-UHFFFAOYSA-N 1 2 350.422 2.904 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cncc(Br)c3)C2)nc1 ZINC000292254600 511524601 /nfs/dbraw/zinc/52/46/01/511524601.db2.gz RCBCXNMCVQGCAN-OAHLLOKOSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cncc(Br)c3)C2)nc1 ZINC000292254600 511524604 /nfs/dbraw/zinc/52/46/04/511524604.db2.gz RCBCXNMCVQGCAN-OAHLLOKOSA-N 1 2 359.227 2.764 20 30 FFEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000273398821 511525155 /nfs/dbraw/zinc/52/51/55/511525155.db2.gz QHOSCCHZJVFBBD-CQSZACIVSA-N 1 2 356.426 2.596 20 30 FFEDLO CC(C)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1[nH]cc[nH+]1 ZINC000295822996 511525901 /nfs/dbraw/zinc/52/59/01/511525901.db2.gz CHHCGUXVSWMOKC-ZDUSSCGKSA-N 1 2 372.372 2.976 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CC(C)(C)CC#N)c1cccc(F)c1 ZINC000296032322 511595854 /nfs/dbraw/zinc/59/58/54/511595854.db2.gz SBSXKOZLSCJMJX-OAHLLOKOSA-N 1 2 364.446 2.508 20 30 FFEDLO CC(C)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1[nH]cc[nH+]1 ZINC000296245044 511670973 /nfs/dbraw/zinc/67/09/73/511670973.db2.gz XSSKBEGUQAFFHS-CYBMUJFWSA-N 1 2 372.372 2.976 20 30 FFEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C2CC2)c(OC)c1 ZINC000302769642 511714571 /nfs/dbraw/zinc/71/45/71/511714571.db2.gz XVMRQKQSNXCBIE-FXAWDEMLSA-N 1 2 357.454 2.649 20 30 FFEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C2CC2)c(OC)c1 ZINC000302769642 511714575 /nfs/dbraw/zinc/71/45/75/511714575.db2.gz XVMRQKQSNXCBIE-FXAWDEMLSA-N 1 2 357.454 2.649 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1=O ZINC000281527651 511879265 /nfs/dbraw/zinc/87/92/65/511879265.db2.gz ZTOIQJCPXQJQMP-CZUORRHYSA-N 1 2 358.417 2.964 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1=O ZINC000281527651 511879271 /nfs/dbraw/zinc/87/92/71/511879271.db2.gz ZTOIQJCPXQJQMP-CZUORRHYSA-N 1 2 358.417 2.964 20 30 FFEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@H]1CCOc2c(F)cccc21 ZINC000328620038 511894472 /nfs/dbraw/zinc/89/44/72/511894472.db2.gz WLUFMCLXYQRBDX-INIZCTEOSA-N 1 2 358.417 2.928 20 30 FFEDLO C[C@@H](CNC(=O)C(C)(C)S(=O)(=O)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000328814172 511935219 /nfs/dbraw/zinc/93/52/19/511935219.db2.gz NRNJFJMFHCJUJV-AWEZNQCLSA-N 1 2 364.511 2.746 20 30 FFEDLO C[C@@H](CNC(=O)C(C)(C)S(=O)(=O)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000328814172 511935225 /nfs/dbraw/zinc/93/52/25/511935225.db2.gz NRNJFJMFHCJUJV-AWEZNQCLSA-N 1 2 364.511 2.746 20 30 FFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000328821102 511936171 /nfs/dbraw/zinc/93/61/71/511936171.db2.gz HRYSAQLIIUTHOS-IACUBPJLSA-N 1 2 372.391 2.749 20 30 FFEDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CC[C@@H](C2CCOCC2)C1 ZINC000328876806 511944318 /nfs/dbraw/zinc/94/43/18/511944318.db2.gz ZYOHDTDXOLLONO-QGZVFWFLSA-N 1 2 358.486 2.713 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)C[C@@H]2CCCCO2)CCC(=O)N1C1CC1 ZINC000328918699 511950273 /nfs/dbraw/zinc/95/02/73/511950273.db2.gz AKSLZTIOKSHKNU-QMTMVMCOSA-N 1 2 360.458 2.530 20 30 FFEDLO C[C@@H]1C[C@H](C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CCC1=O ZINC000328958069 511957708 /nfs/dbraw/zinc/95/77/08/511957708.db2.gz ZWMMBCFGFAQFOA-CHWSQXEVSA-N 1 2 356.426 2.993 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)N[C@H]3CCCC[C@H]3C)CC[C@@H]21 ZINC000328967181 511958214 /nfs/dbraw/zinc/95/82/14/511958214.db2.gz NHMBCZGULXTPCE-HMDCTGQHSA-N 1 2 350.507 2.991 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)N[C@H]3CCCC[C@H]3C)CC[C@@H]21 ZINC000328967181 511958220 /nfs/dbraw/zinc/95/82/20/511958220.db2.gz NHMBCZGULXTPCE-HMDCTGQHSA-N 1 2 350.507 2.991 20 30 FFEDLO O=C(C[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1)Nc1nc2c(s1)CCC2 ZINC000328986703 511962281 /nfs/dbraw/zinc/96/22/81/511962281.db2.gz RFNJSXSLJBSUEW-WFASDCNBSA-N 1 2 374.510 2.695 20 30 FFEDLO O=C(C[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1)Nc1nc2c(s1)CCC2 ZINC000328986703 511962287 /nfs/dbraw/zinc/96/22/87/511962287.db2.gz RFNJSXSLJBSUEW-WFASDCNBSA-N 1 2 374.510 2.695 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)C1CCOCC1 ZINC000329049881 511973086 /nfs/dbraw/zinc/97/30/86/511973086.db2.gz KMUOHQWSCPQBFA-LJQANCHMSA-N 1 2 371.437 2.858 20 30 FFEDLO Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329084430 511978993 /nfs/dbraw/zinc/97/89/93/511978993.db2.gz SYFBBPRPTIOYFD-SJCJKPOMSA-N 1 2 359.474 2.998 20 30 FFEDLO C[C@H]1C(=O)CC[C@H]1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000366402021 512002435 /nfs/dbraw/zinc/00/24/35/512002435.db2.gz SVIYPBZKXZFBBC-AEFFLSMTSA-N 1 2 353.466 2.666 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000329208761 512004680 /nfs/dbraw/zinc/00/46/80/512004680.db2.gz YUENAFRDXIKQGJ-OLZOCXBDSA-N 1 2 352.504 2.781 20 30 FFEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)C1=O ZINC000281929524 512014973 /nfs/dbraw/zinc/01/49/73/512014973.db2.gz HVKJRXOGEFNKQT-JKSUJKDBSA-N 1 2 365.271 2.609 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)C1=O ZINC000281929524 512014977 /nfs/dbraw/zinc/01/49/77/512014977.db2.gz HVKJRXOGEFNKQT-JKSUJKDBSA-N 1 2 365.271 2.609 20 30 FFEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000329278158 512018180 /nfs/dbraw/zinc/01/81/80/512018180.db2.gz JNZJUYKGWPWUSL-IIDMSEBBSA-N 1 2 358.486 2.871 20 30 FFEDLO CCO[C@@H]1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C12CCOCC2 ZINC000329318974 512026767 /nfs/dbraw/zinc/02/67/67/512026767.db2.gz DNJIWOKOKVUDFK-OKZBNKHCSA-N 1 2 366.502 2.561 20 30 FFEDLO CCO[C@@H]1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C12CCOCC2 ZINC000329318974 512026770 /nfs/dbraw/zinc/02/67/70/512026770.db2.gz DNJIWOKOKVUDFK-OKZBNKHCSA-N 1 2 366.502 2.561 20 30 FFEDLO N#CC1CCC(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000281967709 512030816 /nfs/dbraw/zinc/03/08/16/512030816.db2.gz VLMJWEOUJKSQLN-AFMYVXGZSA-N 1 2 370.497 2.689 20 30 FFEDLO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000329396395 512039043 /nfs/dbraw/zinc/03/90/43/512039043.db2.gz WBPKZPPUXPXWNJ-ACJLOTCBSA-N 1 2 358.446 2.846 20 30 FFEDLO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000329396395 512039049 /nfs/dbraw/zinc/03/90/49/512039049.db2.gz WBPKZPPUXPXWNJ-ACJLOTCBSA-N 1 2 358.446 2.846 20 30 FFEDLO CN1C(=O)CC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000329395955 512039714 /nfs/dbraw/zinc/03/97/14/512039714.db2.gz VVTQSNZXZZPNGW-DZKIICNBSA-N 1 2 353.825 2.802 20 30 FFEDLO CN1C(=O)CC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000329395955 512039717 /nfs/dbraw/zinc/03/97/17/512039717.db2.gz VVTQSNZXZZPNGW-DZKIICNBSA-N 1 2 353.825 2.802 20 30 FFEDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C2)[nH]1 ZINC000329430361 512046288 /nfs/dbraw/zinc/04/62/88/512046288.db2.gz ICQHCMRCCKEGAH-AWEZNQCLSA-N 1 2 371.441 2.742 20 30 FFEDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C2)[nH]1 ZINC000329430361 512046292 /nfs/dbraw/zinc/04/62/92/512046292.db2.gz ICQHCMRCCKEGAH-AWEZNQCLSA-N 1 2 371.441 2.742 20 30 FFEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C2)n1 ZINC000329430361 512046296 /nfs/dbraw/zinc/04/62/96/512046296.db2.gz ICQHCMRCCKEGAH-AWEZNQCLSA-N 1 2 371.441 2.742 20 30 FFEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C2)n1 ZINC000329430361 512046302 /nfs/dbraw/zinc/04/63/02/512046302.db2.gz ICQHCMRCCKEGAH-AWEZNQCLSA-N 1 2 371.441 2.742 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2CO)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329448877 512048823 /nfs/dbraw/zinc/04/88/23/512048823.db2.gz LPKKRVFGJPROHB-YLQAJVPDSA-N 1 2 371.403 2.610 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2CO)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329448877 512048831 /nfs/dbraw/zinc/04/88/31/512048831.db2.gz LPKKRVFGJPROHB-YLQAJVPDSA-N 1 2 371.403 2.610 20 30 FFEDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)N1CCOCC2(CC2)C1 ZINC000329453496 512050050 /nfs/dbraw/zinc/05/00/50/512050050.db2.gz MNCOCNQFQFHKJE-UHFFFAOYSA-N 1 2 358.486 2.988 20 30 FFEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000329485667 512055983 /nfs/dbraw/zinc/05/59/83/512055983.db2.gz XDNLSARWPHYBEX-NJAFHUGGSA-N 1 2 359.470 2.638 20 30 FFEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000329485667 512055987 /nfs/dbraw/zinc/05/59/87/512055987.db2.gz XDNLSARWPHYBEX-NJAFHUGGSA-N 1 2 359.470 2.638 20 30 FFEDLO Cc1cccn2c(/C=C3/CCc4c(cnn4-c4ncccn4)C3=O)c[nH+]c12 ZINC000366534809 512077658 /nfs/dbraw/zinc/07/76/58/512077658.db2.gz QVOAZQPEIMMXOB-UVTDQMKNSA-N 1 2 356.389 2.831 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC000329696769 512087479 /nfs/dbraw/zinc/08/74/79/512087479.db2.gz BZSYVZAPDWXPQO-BZUAXINKSA-N 1 2 356.532 2.811 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC000329696769 512087482 /nfs/dbraw/zinc/08/74/82/512087482.db2.gz BZSYVZAPDWXPQO-BZUAXINKSA-N 1 2 356.532 2.811 20 30 FFEDLO O=C(NC[C@H]1CCCCS1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000329728662 512091137 /nfs/dbraw/zinc/09/11/37/512091137.db2.gz FODKYPXXAHDXLM-QGZVFWFLSA-N 1 2 373.526 2.652 20 30 FFEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329772518 512095808 /nfs/dbraw/zinc/09/58/08/512095808.db2.gz KREQYZZVGINWNI-OKZBNKHCSA-N 1 2 358.486 2.891 20 30 FFEDLO COCCn1nc(C)c(NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1C ZINC000329851235 512103892 /nfs/dbraw/zinc/10/38/92/512103892.db2.gz QPQCDOWPPJUMJQ-UHFFFAOYSA-N 1 2 374.489 2.607 20 30 FFEDLO C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000329855833 512104379 /nfs/dbraw/zinc/10/43/79/512104379.db2.gz UHQQQBYYZRYNEW-HOTGVXAUSA-N 1 2 373.501 2.525 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCc4ccccc4O3)CC2)cc1 ZINC000411125988 512479073 /nfs/dbraw/zinc/47/90/73/512479073.db2.gz MZLUKSOTCMOPAS-NRFANRHFSA-N 1 2 361.445 2.596 20 30 FFEDLO CC(=O)c1ncc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000411200862 512517236 /nfs/dbraw/zinc/51/72/36/512517236.db2.gz PDHHCYWPXLWMIJ-UHFFFAOYSA-N 1 2 368.462 2.565 20 30 FFEDLO CC(=O)c1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000411200862 512517241 /nfs/dbraw/zinc/51/72/41/512517241.db2.gz PDHHCYWPXLWMIJ-UHFFFAOYSA-N 1 2 368.462 2.565 20 30 FFEDLO CC[N@H+](Cc1ccc(OC)cc1OC)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000411201277 512517558 /nfs/dbraw/zinc/51/75/58/512517558.db2.gz QGUSZSCBCCTPFI-LJQANCHMSA-N 1 2 353.422 2.624 20 30 FFEDLO CC[N@@H+](Cc1ccc(OC)cc1OC)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000411201277 512517561 /nfs/dbraw/zinc/51/75/61/512517561.db2.gz QGUSZSCBCCTPFI-LJQANCHMSA-N 1 2 353.422 2.624 20 30 FFEDLO Cc1c(Cl)cnc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c1C#N ZINC000371695552 512531187 /nfs/dbraw/zinc/53/11/87/512531187.db2.gz XVWIEFAKZDLYKW-INIZCTEOSA-N 1 2 352.891 2.535 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)CSCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000371703872 512535404 /nfs/dbraw/zinc/53/54/04/512535404.db2.gz QKIJYZPZLDOGFA-BBRMVZONSA-N 1 2 357.401 2.612 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)CSCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000371703872 512535406 /nfs/dbraw/zinc/53/54/06/512535406.db2.gz QKIJYZPZLDOGFA-BBRMVZONSA-N 1 2 357.401 2.612 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000371767895 512564325 /nfs/dbraw/zinc/56/43/25/512564325.db2.gz VMODMVIZFHBNPP-HNNXBMFYSA-N 1 2 369.425 2.718 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000373985167 512607516 /nfs/dbraw/zinc/60/75/16/512607516.db2.gz VUCWGHKDCQHPNG-NARAOEGZSA-N 1 2 357.454 2.544 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000373985167 512607519 /nfs/dbraw/zinc/60/75/19/512607519.db2.gz VUCWGHKDCQHPNG-NARAOEGZSA-N 1 2 357.454 2.544 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411521566 512672450 /nfs/dbraw/zinc/67/24/50/512672450.db2.gz TYYOWNBBKQWLMC-UHFFFAOYSA-N 1 2 371.437 2.636 20 30 FFEDLO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1nc(C(C)(C)C)no1 ZINC000411528529 512676084 /nfs/dbraw/zinc/67/60/84/512676084.db2.gz FVPSRZJQSQZUNY-IUODEOHRSA-N 1 2 353.426 2.695 20 30 FFEDLO CCOC(=O)c1nn(C)cc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000372212339 512763873 /nfs/dbraw/zinc/76/38/73/512763873.db2.gz RRTHVQRPMUBKNO-UHFFFAOYSA-N 1 2 350.422 2.758 20 30 FFEDLO CCOC(=O)c1nn(C)cc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000372212339 512763878 /nfs/dbraw/zinc/76/38/78/512763878.db2.gz RRTHVQRPMUBKNO-UHFFFAOYSA-N 1 2 350.422 2.758 20 30 FFEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378517970 512801832 /nfs/dbraw/zinc/80/18/32/512801832.db2.gz IPWRNAJDHUXWTI-INIZCTEOSA-N 1 2 351.410 2.754 20 30 FFEDLO Cc1cc(C#N)nc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)n1 ZINC000376446485 512821797 /nfs/dbraw/zinc/82/17/97/512821797.db2.gz CASIWMQNNSWKQO-IAGOWNOFSA-N 1 2 357.845 2.794 20 30 FFEDLO Cc1cc(C#N)nc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000376446485 512821803 /nfs/dbraw/zinc/82/18/03/512821803.db2.gz CASIWMQNNSWKQO-IAGOWNOFSA-N 1 2 357.845 2.794 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)c1 ZINC000370433442 512932301 /nfs/dbraw/zinc/93/23/01/512932301.db2.gz KTJHUSCAINXSSU-KRWDZBQOSA-N 1 2 367.474 2.973 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)c1 ZINC000370433442 512932304 /nfs/dbraw/zinc/93/23/04/512932304.db2.gz KTJHUSCAINXSSU-KRWDZBQOSA-N 1 2 367.474 2.973 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ncc[nH]2)c(OC)c1 ZINC000374882810 513053609 /nfs/dbraw/zinc/05/36/09/513053609.db2.gz XNGGVBYOWIQBDN-SJORKVTESA-N 1 2 357.454 2.724 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2ncc[nH]2)c(OC)c1 ZINC000374882810 513053614 /nfs/dbraw/zinc/05/36/14/513053614.db2.gz XNGGVBYOWIQBDN-SJORKVTESA-N 1 2 357.454 2.724 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409524040 513118100 /nfs/dbraw/zinc/11/81/00/513118100.db2.gz WABPUIDTEJJJHF-UHFFFAOYSA-N 1 2 370.416 2.832 20 30 FFEDLO C=CCCn1cc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)nn1 ZINC000424661622 513230821 /nfs/dbraw/zinc/23/08/21/513230821.db2.gz KPWRWQGEJLJMEQ-UHFFFAOYSA-N 1 2 354.458 2.560 20 30 FFEDLO C[C@@H](c1nnc(SC[C@H](O)CC#N)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000450595557 513266959 /nfs/dbraw/zinc/26/69/59/513266959.db2.gz QYXFPMKHOBEPTE-SMDDNHRTSA-N 1 2 365.890 2.910 20 30 FFEDLO CC[C@H](NC(=O)COc1cccc(Br)c1C#N)c1[nH]cc[nH+]1 ZINC000450677301 513300849 /nfs/dbraw/zinc/30/08/49/513300849.db2.gz YQWMSPACOUXPEQ-LBPRGKRZSA-N 1 2 363.215 2.690 20 30 FFEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2ccc(Cl)c(C#N)n2)C1 ZINC000440636826 513367213 /nfs/dbraw/zinc/36/72/13/513367213.db2.gz GKCZFEMVNHCKTB-QGZVFWFLSA-N 1 2 350.850 2.507 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(c2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000413088357 513436535 /nfs/dbraw/zinc/43/65/35/513436535.db2.gz GMIGZQDMSOMJKS-UHFFFAOYSA-N 1 2 365.359 2.899 20 30 FFEDLO Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)nc1 ZINC000447303699 513442778 /nfs/dbraw/zinc/44/27/78/513442778.db2.gz IRBIXCGCCQCOFX-GOSISDBHSA-N 1 2 350.422 2.664 20 30 FFEDLO Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)nc1 ZINC000447303699 513442782 /nfs/dbraw/zinc/44/27/82/513442782.db2.gz IRBIXCGCCQCOFX-GOSISDBHSA-N 1 2 350.422 2.664 20 30 FFEDLO CCOC(=O)c1cnn(C2CCN(c3cc(C)[nH+]cc3C#N)CC2)c1C ZINC000425258352 513477886 /nfs/dbraw/zinc/47/78/86/513477886.db2.gz VTQLCLBOBUGLHJ-UHFFFAOYSA-N 1 2 353.426 2.785 20 30 FFEDLO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)Cc2ccccc21 ZINC000441118562 513490267 /nfs/dbraw/zinc/49/02/67/513490267.db2.gz CDFLBNQNNYDQMS-RRMPHLOHSA-N 1 2 371.481 2.592 20 30 FFEDLO CCOC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)Cc2ccccc21 ZINC000441118562 513490274 /nfs/dbraw/zinc/49/02/74/513490274.db2.gz CDFLBNQNNYDQMS-RRMPHLOHSA-N 1 2 371.481 2.592 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)NCc2ccc(C#N)s2)CC1 ZINC000422219655 513644661 /nfs/dbraw/zinc/64/46/61/513644661.db2.gz OWPQTJCCOXAQIV-UHFFFAOYSA-N 1 2 370.478 2.656 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000425606827 513659055 /nfs/dbraw/zinc/65/90/55/513659055.db2.gz FWZUIUBNBCQWMM-ZWKOTPCHSA-N 1 2 356.470 2.605 20 30 FFEDLO N#CC1(CNC(=O)C2CCN(c3ccc4cccc(O)c4[nH+]3)CC2)CCC1 ZINC000416348216 513725715 /nfs/dbraw/zinc/72/57/15/513725715.db2.gz SPWFQZNNPRCUQJ-UHFFFAOYSA-N 1 2 364.449 2.967 20 30 FFEDLO N#C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)C1 ZINC000425804048 513755381 /nfs/dbraw/zinc/75/53/81/513755381.db2.gz MIINTYBSEKFLDW-UONOGXRCSA-N 1 2 365.437 2.510 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000413823934 513831695 /nfs/dbraw/zinc/83/16/95/513831695.db2.gz BMYZTTVMLRINEK-IBGZPJMESA-N 1 2 365.481 2.804 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000431137898 513836217 /nfs/dbraw/zinc/83/62/17/513836217.db2.gz KYUZMGCQMGFANJ-NWDGAFQWSA-N 1 2 355.280 2.703 20 30 FFEDLO N#Cc1cccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1Br ZINC000448668282 513837329 /nfs/dbraw/zinc/83/73/29/513837329.db2.gz AQLANMXZQCWREV-UHFFFAOYSA-N 1 2 373.254 2.826 20 30 FFEDLO Cc1[nH]c(C#N)cc1C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCCCC1 ZINC000448784283 513897176 /nfs/dbraw/zinc/89/71/76/513897176.db2.gz JOZTYQHQZQMXRQ-UHFFFAOYSA-N 1 2 370.457 2.619 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nnc(-c2ccc(Cl)s2)o1 ZINC000414147315 513988432 /nfs/dbraw/zinc/98/84/32/513988432.db2.gz NFYZLAOLHUWFQP-SECBINFHSA-N 1 2 358.876 2.750 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nnc(-c2ccc(Cl)s2)o1 ZINC000414147315 513988439 /nfs/dbraw/zinc/98/84/39/513988439.db2.gz NFYZLAOLHUWFQP-SECBINFHSA-N 1 2 358.876 2.750 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000443659733 514015417 /nfs/dbraw/zinc/01/54/17/514015417.db2.gz QEVHQBFDBMEFKO-QGZVFWFLSA-N 1 2 369.852 2.981 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000443659733 514015423 /nfs/dbraw/zinc/01/54/23/514015423.db2.gz QEVHQBFDBMEFKO-QGZVFWFLSA-N 1 2 369.852 2.981 20 30 FFEDLO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000432270377 514143321 /nfs/dbraw/zinc/14/33/21/514143321.db2.gz MLROZLRTGMTJKQ-SFHVURJKSA-N 1 2 366.446 2.833 20 30 FFEDLO Cc1cc(S(=O)(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccccc2)ccc1C#N ZINC000432287733 514148924 /nfs/dbraw/zinc/14/89/24/514148924.db2.gz XGAKACJFESYBTO-SFHVURJKSA-N 1 2 366.446 3.000 20 30 FFEDLO N#Cc1c(CN(CC[NH+]2CCOCC2)Cc2ccco2)cn2ccccc12 ZINC000452047248 514159246 /nfs/dbraw/zinc/15/92/46/514159246.db2.gz JNCPMNVZEVVQLR-UHFFFAOYSA-N 1 2 364.449 2.738 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000437485985 514169957 /nfs/dbraw/zinc/16/99/57/514169957.db2.gz SOWAEPUSMRVTSE-OTWHNJEPSA-N 1 2 360.523 2.874 20 30 FFEDLO CCN(CC)C(=O)C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000432795849 514289350 /nfs/dbraw/zinc/28/93/50/514289350.db2.gz YIIWPTPYXOSQKR-SFHVURJKSA-N 1 2 372.513 2.739 20 30 FFEDLO CCN(CC)C(=O)C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000432795849 514289355 /nfs/dbraw/zinc/28/93/55/514289355.db2.gz YIIWPTPYXOSQKR-SFHVURJKSA-N 1 2 372.513 2.739 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)o2)c1 ZINC000444718668 514303301 /nfs/dbraw/zinc/30/33/01/514303301.db2.gz OYWQHCCMYDFZIA-UKRRQHHQSA-N 1 2 366.343 2.743 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)o2)c1 ZINC000444718668 514303310 /nfs/dbraw/zinc/30/33/10/514303310.db2.gz OYWQHCCMYDFZIA-UKRRQHHQSA-N 1 2 366.343 2.743 20 30 FFEDLO COC(=O)c1coc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC000444775335 514326772 /nfs/dbraw/zinc/32/67/72/514326772.db2.gz HUBPPGIMLLUOMJ-UHFFFAOYSA-N 1 2 359.813 2.913 20 30 FFEDLO C=CCn1cc(C[NH2+]Cc2cc(OC)c(OC)cc2Br)nn1 ZINC000424174219 514406715 /nfs/dbraw/zinc/40/67/15/514406715.db2.gz RHURCNBGJOWEOI-UHFFFAOYSA-N 1 2 367.247 2.534 20 30 FFEDLO CCOc1cc(C[N@H+](C)CC(C)(C)C#N)nc2nc(C(F)(F)F)nn21 ZINC000433290907 514446417 /nfs/dbraw/zinc/44/64/17/514446417.db2.gz UMRMSQLJZUKWND-UHFFFAOYSA-N 1 2 356.352 2.523 20 30 FFEDLO CCOc1cc(C[N@@H+](C)CC(C)(C)C#N)nc2nc(C(F)(F)F)nn21 ZINC000433290907 514446421 /nfs/dbraw/zinc/44/64/21/514446421.db2.gz UMRMSQLJZUKWND-UHFFFAOYSA-N 1 2 356.352 2.523 20 30 FFEDLO CCOc1ccnc(N2CCC[N@H+](Cc3cccc(F)c3C#N)CC2)n1 ZINC000428396636 514465307 /nfs/dbraw/zinc/46/53/07/514465307.db2.gz DRQXTYBVQFKDNZ-UHFFFAOYSA-N 1 2 355.417 2.598 20 30 FFEDLO CCOc1ccnc(N2CCC[N@@H+](Cc3cccc(F)c3C#N)CC2)n1 ZINC000428396636 514465311 /nfs/dbraw/zinc/46/53/11/514465311.db2.gz DRQXTYBVQFKDNZ-UHFFFAOYSA-N 1 2 355.417 2.598 20 30 FFEDLO N#Cc1cccc(CS(=O)(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000445553003 514492133 /nfs/dbraw/zinc/49/21/33/514492133.db2.gz VYRKLIQEYMDFSC-UHFFFAOYSA-N 1 2 351.431 2.918 20 30 FFEDLO Cc1cc(C)c2ncc(C#N)c(NCc3ccc(N4CCOCC4)[nH+]c3)c2c1 ZINC000461444566 514617962 /nfs/dbraw/zinc/61/79/62/514617962.db2.gz LFHQHSKFJFUFSC-UHFFFAOYSA-N 1 2 373.460 2.989 20 30 FFEDLO C=CCOCCC[N@@H+]1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000470866528 514651253 /nfs/dbraw/zinc/65/12/53/514651253.db2.gz NAHDRQDERVMQLW-OAHLLOKOSA-N 1 2 358.360 2.651 20 30 FFEDLO C=CCOCCC[N@H+]1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000470866528 514651261 /nfs/dbraw/zinc/65/12/61/514651261.db2.gz NAHDRQDERVMQLW-OAHLLOKOSA-N 1 2 358.360 2.651 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+](CCNS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000502535468 514685603 /nfs/dbraw/zinc/68/56/03/514685603.db2.gz ZOAQHHUEGOTKEJ-UHFFFAOYSA-N 1 2 367.474 2.626 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+](CCNS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000502535468 514685612 /nfs/dbraw/zinc/68/56/12/514685612.db2.gz ZOAQHHUEGOTKEJ-UHFFFAOYSA-N 1 2 367.474 2.626 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)CC1(C#N)CCCCC1 ZINC000475542331 514709302 /nfs/dbraw/zinc/70/93/02/514709302.db2.gz KZVPLWZGKWJGEN-UHFFFAOYSA-N 1 2 360.483 2.738 20 30 FFEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000470992530 514710170 /nfs/dbraw/zinc/71/01/70/514710170.db2.gz IJKPODKXCQUZFY-GOSISDBHSA-N 1 2 360.889 2.581 20 30 FFEDLO C=CCCCS(=O)(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000489108962 514712838 /nfs/dbraw/zinc/71/28/38/514712838.db2.gz HGWRHACXFCSZHE-IRXDYDNUSA-N 1 2 366.527 2.681 20 30 FFEDLO CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471015373 514717518 /nfs/dbraw/zinc/71/75/18/514717518.db2.gz VUIZEARMIUNHHY-YJBOKZPZSA-N 1 2 362.905 2.778 20 30 FFEDLO Cc1nc(NC[C@]2([NH+]3CCOCC3)CCSC2)c(Cl)cc1C#N ZINC000461778204 514732663 /nfs/dbraw/zinc/73/26/63/514732663.db2.gz OGDVJZFJIPNTQG-MRXNPFEDSA-N 1 2 352.891 2.535 20 30 FFEDLO C=CCn1c(CCC2CCCCC2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000508480935 514792607 /nfs/dbraw/zinc/79/26/07/514792607.db2.gz LPSJVZBBZQOQMG-UHFFFAOYSA-N 1 2 361.534 2.745 20 30 FFEDLO COc1ccc(CN2CCC[N@H+](Cc3ccc(F)c(C#N)c3)CC2=O)cc1 ZINC000466908288 514821795 /nfs/dbraw/zinc/82/17/95/514821795.db2.gz AMOBSJIWMJPCNC-UHFFFAOYSA-N 1 2 367.424 2.940 20 30 FFEDLO COc1ccc(CN2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)CC2=O)cc1 ZINC000466908288 514821800 /nfs/dbraw/zinc/82/18/00/514821800.db2.gz AMOBSJIWMJPCNC-UHFFFAOYSA-N 1 2 367.424 2.940 20 30 FFEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000503080119 514911652 /nfs/dbraw/zinc/91/16/52/514911652.db2.gz DOUNTLGEJSNGLP-HXUWFJFHSA-N 1 2 368.437 2.750 20 30 FFEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000485113132 514917085 /nfs/dbraw/zinc/91/70/85/514917085.db2.gz JPIHHGXILBSDNM-UHFFFAOYSA-N 1 2 350.466 2.557 20 30 FFEDLO C=CCCCS(=O)(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000489638302 514924844 /nfs/dbraw/zinc/92/48/44/514924844.db2.gz KOCSNIOMEITHQF-UHFFFAOYSA-N 1 2 372.288 2.791 20 30 FFEDLO CCOC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)[nH]c1C ZINC000485227353 514964876 /nfs/dbraw/zinc/96/48/76/514964876.db2.gz NKKCVNBLPLTMKJ-UHFFFAOYSA-N 1 2 370.428 2.833 20 30 FFEDLO C=CC(C)(C)CNC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000453881737 514981796 /nfs/dbraw/zinc/98/17/96/514981796.db2.gz PRSVLJUYLDQHKM-UHFFFAOYSA-N 1 2 364.449 2.869 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@H](O)C2)c1C#N ZINC000509050631 515001349 /nfs/dbraw/zinc/00/13/49/515001349.db2.gz WOLSMJXWGABZAU-FZKQIMNGSA-N 1 2 358.486 2.733 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1C#N ZINC000509050631 515001357 /nfs/dbraw/zinc/00/13/57/515001357.db2.gz WOLSMJXWGABZAU-FZKQIMNGSA-N 1 2 358.486 2.733 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3cnc(C(C)(C)C)s3)CC2)c1C#N ZINC000471802479 515015268 /nfs/dbraw/zinc/01/52/68/515015268.db2.gz BGXTYHFQMRKYOD-UHFFFAOYSA-N 1 2 358.515 2.676 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(Br)cc3)CC2)c1C#N ZINC000471813857 515018917 /nfs/dbraw/zinc/01/89/17/515018917.db2.gz YXPCTQYKJTZJHI-UHFFFAOYSA-N 1 2 374.286 2.685 20 30 FFEDLO CCCCCC(=O)NC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000498670298 515020010 /nfs/dbraw/zinc/02/00/10/515020010.db2.gz IZTRKEDAZHDRPE-UHFFFAOYSA-N 1 2 356.470 2.658 20 30 FFEDLO COC(=O)C(C)(C)[NH+]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000489912370 515028984 /nfs/dbraw/zinc/02/89/84/515028984.db2.gz PFNWFVKJKXBJDT-UHFFFAOYSA-N 1 2 355.360 2.651 20 30 FFEDLO C=CCSc1ccccc1C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000485461203 515048586 /nfs/dbraw/zinc/04/85/86/515048586.db2.gz CSYGPTQSJBPUQA-UHFFFAOYSA-N 1 2 356.495 2.656 20 30 FFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000462606609 515148988 /nfs/dbraw/zinc/14/89/88/515148988.db2.gz LRPNMHFKWRNHEQ-UHFFFAOYSA-N 1 2 366.446 2.624 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000504251802 515252741 /nfs/dbraw/zinc/25/27/41/515252741.db2.gz QZDJTNMATKEMFS-CRAIPNDOSA-N 1 2 374.366 2.936 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000504251802 515252751 /nfs/dbraw/zinc/25/27/51/515252751.db2.gz QZDJTNMATKEMFS-CRAIPNDOSA-N 1 2 374.366 2.936 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ncccc1OCCCC#N)C1CC1 ZINC000481485245 515342672 /nfs/dbraw/zinc/34/26/72/515342672.db2.gz LSIPKIFKEDKQGP-HNNXBMFYSA-N 1 2 354.414 2.770 20 30 FFEDLO N#CCc1ccc(NC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)cc1 ZINC000454350181 515421695 /nfs/dbraw/zinc/42/16/95/515421695.db2.gz YGFJFFXNTXMIST-UHFFFAOYSA-N 1 2 368.437 2.712 20 30 FFEDLO CC(C)(COCC(F)F)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000468588146 515425239 /nfs/dbraw/zinc/42/52/39/515425239.db2.gz SSYAEDJBLRUYLV-UHFFFAOYSA-N 1 2 365.424 2.510 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000472863089 515425394 /nfs/dbraw/zinc/42/53/94/515425394.db2.gz MWPCCZDQRCDEAA-SFHVURJKSA-N 1 2 363.461 2.929 20 30 FFEDLO C=C(C)CS(=O)(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000477457062 515463111 /nfs/dbraw/zinc/46/31/11/515463111.db2.gz SUJADWKESJQUTF-VQIMIIECSA-N 1 2 365.543 2.828 20 30 FFEDLO C=C(C)CS(=O)(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000477457062 515463116 /nfs/dbraw/zinc/46/31/16/515463116.db2.gz SUJADWKESJQUTF-VQIMIIECSA-N 1 2 365.543 2.828 20 30 FFEDLO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000459409179 515533595 /nfs/dbraw/zinc/53/35/95/515533595.db2.gz XVTNMVMTNIOSDW-ZDUSSCGKSA-N 1 2 369.377 2.869 20 30 FFEDLO C=C(C)CCSc1nnc([C@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000505481711 515547734 /nfs/dbraw/zinc/54/77/34/515547734.db2.gz TVHPSTSHZWCYRR-INIZCTEOSA-N 1 2 367.563 2.681 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1=O ZINC000500012241 515558865 /nfs/dbraw/zinc/55/88/65/515558865.db2.gz NUACBTOLNSMXHT-CTNGQTDRSA-N 1 2 369.509 2.753 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1=O ZINC000500012241 515558875 /nfs/dbraw/zinc/55/88/75/515558875.db2.gz NUACBTOLNSMXHT-CTNGQTDRSA-N 1 2 369.509 2.753 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)C1=O ZINC000500029187 515565454 /nfs/dbraw/zinc/56/54/54/515565454.db2.gz ZSTXDXMDNCNBQV-XLIONFOSSA-N 1 2 371.525 2.781 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)C1=O ZINC000500029187 515565459 /nfs/dbraw/zinc/56/54/59/515565459.db2.gz ZSTXDXMDNCNBQV-XLIONFOSSA-N 1 2 371.525 2.781 20 30 FFEDLO N#Cc1cc(F)cc(C2(C(=O)NCCc3cn4c([nH+]3)CCCC4)CC2)c1 ZINC000505590185 515598303 /nfs/dbraw/zinc/59/83/03/515598303.db2.gz KZNWXELKLNEYOQ-UHFFFAOYSA-N 1 2 352.413 2.621 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1C#N ZINC000505608149 515606718 /nfs/dbraw/zinc/60/67/18/515606718.db2.gz JLCBEOHTWGKRGW-MLGOLLRUSA-N 1 2 370.478 2.802 20 30 FFEDLO Cc1nsc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1C#N ZINC000459551244 515641050 /nfs/dbraw/zinc/64/10/50/515641050.db2.gz MNXHENKGRNGBGQ-UHFFFAOYSA-N 1 2 371.466 2.552 20 30 FFEDLO Cc1onc(CC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1C#N ZINC000500360600 515677218 /nfs/dbraw/zinc/67/72/18/515677218.db2.gz NEZJKRKDATVILY-UHFFFAOYSA-N 1 2 359.389 2.951 20 30 FFEDLO C[C@H](C(=O)N[C@@H](C#N)C1CCCCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000482488266 515692975 /nfs/dbraw/zinc/69/29/75/515692975.db2.gz ZEIVKQYTLIBNKR-UZLBHIALSA-N 1 2 372.488 2.925 20 30 FFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)COc1ccccc1C#N ZINC000464282660 515767461 /nfs/dbraw/zinc/76/74/61/515767461.db2.gz MVWFXVYTKQXXLQ-UHFFFAOYSA-N 1 2 360.417 2.840 20 30 FFEDLO Cc1cc(Cl)ccc1C[NH+]1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000511124714 515793634 /nfs/dbraw/zinc/79/36/34/515793634.db2.gz MFGNSJSLDJAGQW-MRXNPFEDSA-N 1 2 362.905 2.527 20 30 FFEDLO Cc1cc(Cl)ccc1CN1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000511124714 515793641 /nfs/dbraw/zinc/79/36/41/515793641.db2.gz MFGNSJSLDJAGQW-MRXNPFEDSA-N 1 2 362.905 2.527 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000494280801 515793785 /nfs/dbraw/zinc/79/37/85/515793785.db2.gz ZIGPUZZXTWGFPS-UHFFFAOYSA-N 1 2 373.316 2.506 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494280801 515793791 /nfs/dbraw/zinc/79/37/91/515793791.db2.gz ZIGPUZZXTWGFPS-UHFFFAOYSA-N 1 2 373.316 2.506 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1C#N ZINC000459797242 515809858 /nfs/dbraw/zinc/80/98/58/515809858.db2.gz RIUZWLBUACBWBT-HOCLYGCPSA-N 1 2 370.478 2.746 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@@H]3C[C@H]2CS3)c1C#N ZINC000459797242 515809870 /nfs/dbraw/zinc/80/98/70/515809870.db2.gz RIUZWLBUACBWBT-HOCLYGCPSA-N 1 2 370.478 2.746 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000459874124 515864801 /nfs/dbraw/zinc/86/48/01/515864801.db2.gz YBRCGMPQUJOPCL-RDJZCZTQSA-N 1 2 372.494 2.569 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000454997495 515886094 /nfs/dbraw/zinc/88/60/94/515886094.db2.gz SWIGBXJSFAQGGS-UHFFFAOYSA-N 1 2 369.400 2.559 20 30 FFEDLO C[C@H]1CCc2nc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)sc2C1 ZINC000506477646 515893854 /nfs/dbraw/zinc/89/38/54/515893854.db2.gz PCBCNNZYPHJACQ-AWEZNQCLSA-N 1 2 353.495 2.857 20 30 FFEDLO C=CCOc1ccc(C[N@@H+](Cc2nc(CC(=O)NC)no2)C(C)(C)C)cc1 ZINC000474160201 515911937 /nfs/dbraw/zinc/91/19/37/515911937.db2.gz PNUIOPHFKRERLT-UHFFFAOYSA-N 1 2 372.469 2.724 20 30 FFEDLO C=CCOc1ccc(C[N@H+](Cc2nc(CC(=O)NC)no2)C(C)(C)C)cc1 ZINC000474160201 515911941 /nfs/dbraw/zinc/91/19/41/515911941.db2.gz PNUIOPHFKRERLT-UHFFFAOYSA-N 1 2 372.469 2.724 20 30 FFEDLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000464822614 515975209 /nfs/dbraw/zinc/97/52/09/515975209.db2.gz MUSILCPKCWFQGG-FQEVSTJZSA-N 1 2 363.417 2.659 20 30 FFEDLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000464822614 515975217 /nfs/dbraw/zinc/97/52/17/515975217.db2.gz MUSILCPKCWFQGG-FQEVSTJZSA-N 1 2 363.417 2.659 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000483233864 515995720 /nfs/dbraw/zinc/99/57/20/515995720.db2.gz MCUHISQCZQBQOP-XJKSGUPXSA-N 1 2 358.269 2.671 20 30 FFEDLO C=C[C@H]1CCCCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000495004909 516033168 /nfs/dbraw/zinc/03/31/68/516033168.db2.gz NEYAMJFRHIWFDJ-PMACEKPBSA-N 1 2 357.498 2.680 20 30 FFEDLO COC1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000483349757 516045339 /nfs/dbraw/zinc/04/53/39/516045339.db2.gz GEVQKLHLUFEBPA-UHFFFAOYSA-N 1 2 370.497 2.735 20 30 FFEDLO CNC(=O)C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000483394877 516065059 /nfs/dbraw/zinc/06/50/59/516065059.db2.gz JUGNBJHZHUZUAF-KRWDZBQOSA-N 1 2 361.405 2.575 20 30 FFEDLO C=C[C@H](C)NC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000465227512 516100543 /nfs/dbraw/zinc/10/05/43/516100543.db2.gz WGRFHYVGPXLGKW-BBRMVZONSA-N 1 2 371.403 2.952 20 30 FFEDLO C[C@@H](NC(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000507183208 516115896 /nfs/dbraw/zinc/11/58/96/516115896.db2.gz OHBQYAYWAVLZSC-MRXNPFEDSA-N 1 2 366.440 2.697 20 30 FFEDLO N#Cc1ncn(CC[NH2+][C@H](c2nc(-c3ccccc3)no2)c2ccccc2)n1 ZINC000507264125 516147456 /nfs/dbraw/zinc/14/74/56/516147456.db2.gz CTMZULUGCKHELO-SFHVURJKSA-N 1 2 371.404 2.579 20 30 FFEDLO C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507277254 516151699 /nfs/dbraw/zinc/15/16/99/516151699.db2.gz IXWBCJXCJKIAFC-QGZVFWFLSA-N 1 2 360.461 2.658 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccccc3C#N)CC2)[C@H]1C ZINC000507281130 516153490 /nfs/dbraw/zinc/15/34/90/516153490.db2.gz SOSFSEMNSARXQU-AOIWGVFYSA-N 1 2 354.498 2.621 20 30 FFEDLO C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507292590 516159187 /nfs/dbraw/zinc/15/91/87/516159187.db2.gz MZLOVALXHCSNMM-INIZCTEOSA-N 1 2 366.440 2.524 20 30 FFEDLO C[C@H](C(=O)NCc1ccccc1F)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507291665 516160096 /nfs/dbraw/zinc/16/00/96/516160096.db2.gz IXCVNZULHJDDMG-MRXNPFEDSA-N 1 2 366.440 2.524 20 30 FFEDLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507305544 516166192 /nfs/dbraw/zinc/16/61/92/516166192.db2.gz ODSRZIIHWMXLJR-LMMKCTJWSA-N 1 2 354.498 2.764 20 30 FFEDLO N#Cc1ccc(CNc2nc(NCc3ccc(C#N)cc3)c(Cl)c[nH+]2)cc1 ZINC000488366125 516206657 /nfs/dbraw/zinc/20/66/57/516206657.db2.gz KGPXYBOOILRVAC-UHFFFAOYSA-N 1 2 374.835 2.941 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000507671384 516279840 /nfs/dbraw/zinc/27/98/40/516279840.db2.gz DTJMIHYSLPRKRE-OALUTQOASA-N 1 2 371.525 2.963 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)CNc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497459386 516322991 /nfs/dbraw/zinc/32/29/91/516322991.db2.gz GATSKEJYOYTABM-AZUAARDMSA-N 1 2 370.403 2.810 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)CNc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497459386 516322992 /nfs/dbraw/zinc/32/29/92/516322992.db2.gz GATSKEJYOYTABM-AZUAARDMSA-N 1 2 370.403 2.810 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)CNc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000497469704 516323095 /nfs/dbraw/zinc/32/30/95/516323095.db2.gz IZPKHBVLOPROPY-AZUAARDMSA-N 1 2 370.403 2.810 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)CNc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000497469704 516323096 /nfs/dbraw/zinc/32/30/96/516323096.db2.gz IZPKHBVLOPROPY-AZUAARDMSA-N 1 2 370.403 2.810 20 30 FFEDLO Cc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3C#N)CC2)s1 ZINC000497470440 516323241 /nfs/dbraw/zinc/32/32/41/516323241.db2.gz ZGQZPQGJFBAFPJ-UHFFFAOYSA-N 1 2 355.463 2.765 20 30 FFEDLO Cc1cc(-c2nnc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)o2)c(C)o1 ZINC000535525285 516386234 /nfs/dbraw/zinc/38/62/34/516386234.db2.gz QCBGRYLVWNEWGX-UHFFFAOYSA-N 1 2 364.409 2.535 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000528387219 516399739 /nfs/dbraw/zinc/39/97/39/516399739.db2.gz FJPZLHPIAIKGMY-JJXUHFIVSA-N 1 2 370.424 2.899 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000528387219 516399745 /nfs/dbraw/zinc/39/97/45/516399745.db2.gz FJPZLHPIAIKGMY-JJXUHFIVSA-N 1 2 370.424 2.899 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)C[C@H](c2ccsc2)O1 ZINC000528401873 516409800 /nfs/dbraw/zinc/40/98/00/516409800.db2.gz DGORJHPRDHDIRO-LSBZLQRGSA-N 1 2 358.463 2.821 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)C[C@H](c2ccsc2)O1 ZINC000528401873 516409809 /nfs/dbraw/zinc/40/98/09/516409809.db2.gz DGORJHPRDHDIRO-LSBZLQRGSA-N 1 2 358.463 2.821 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+]([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528416137 516420014 /nfs/dbraw/zinc/42/00/14/516420014.db2.gz GGSHKEPNPCPJME-LEWJYISDSA-N 1 2 366.509 2.802 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(C(=O)COc3ccc(C#N)cc3)CC2)s1 ZINC000523398988 516460977 /nfs/dbraw/zinc/46/09/77/516460977.db2.gz WXTUOCRGGYCGPG-UHFFFAOYSA-N 1 2 369.490 2.905 20 30 FFEDLO CCc1ccc([C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3C#N)CCO2)cc1 ZINC000528473885 516462008 /nfs/dbraw/zinc/46/20/08/516462008.db2.gz JEZYULPVHDHVHB-IRLDBZIGSA-N 1 2 366.461 2.934 20 30 FFEDLO CCc1ccc([C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3C#N)CCO2)cc1 ZINC000528473885 516462018 /nfs/dbraw/zinc/46/20/18/516462018.db2.gz JEZYULPVHDHVHB-IRLDBZIGSA-N 1 2 366.461 2.934 20 30 FFEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000523532209 516499312 /nfs/dbraw/zinc/49/93/12/516499312.db2.gz XVOUZWZVGGHTIB-ZDUSSCGKSA-N 1 2 372.387 2.721 20 30 FFEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000523532209 516499317 /nfs/dbraw/zinc/49/93/17/516499317.db2.gz XVOUZWZVGGHTIB-ZDUSSCGKSA-N 1 2 372.387 2.721 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543976198 516522653 /nfs/dbraw/zinc/52/26/53/516522653.db2.gz JWIGSUWJSHLCSD-UHFFFAOYSA-N 1 2 372.494 2.944 20 30 FFEDLO CC(C)[N@H+](CC(=O)Nc1cccc(C#N)c1)CC(=O)N1CCCCCC1 ZINC000513252211 516541955 /nfs/dbraw/zinc/54/19/55/516541955.db2.gz IGRCMYIAHHXIMT-UHFFFAOYSA-N 1 2 356.470 2.610 20 30 FFEDLO CC(C)[N@@H+](CC(=O)Nc1cccc(C#N)c1)CC(=O)N1CCCCCC1 ZINC000513252211 516541963 /nfs/dbraw/zinc/54/19/63/516541963.db2.gz IGRCMYIAHHXIMT-UHFFFAOYSA-N 1 2 356.470 2.610 20 30 FFEDLO COC(=O)C[N@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000536035823 516601933 /nfs/dbraw/zinc/60/19/33/516601933.db2.gz OIYUZXRSPHBKBU-UHFFFAOYSA-N 1 2 354.406 2.751 20 30 FFEDLO COC(=O)C[N@@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000536035823 516601937 /nfs/dbraw/zinc/60/19/37/516601937.db2.gz OIYUZXRSPHBKBU-UHFFFAOYSA-N 1 2 354.406 2.751 20 30 FFEDLO N#Cc1cccc(-n2ccc(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)n2)c1 ZINC000540616352 516641692 /nfs/dbraw/zinc/64/16/92/516641692.db2.gz SWIJRTGKWMSSJV-UHFFFAOYSA-N 1 2 372.432 2.669 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC([C@H](O)C(F)(F)F)CC3)o2)c1 ZINC000531988544 516743943 /nfs/dbraw/zinc/74/39/43/516743943.db2.gz WWDOJHXXLZAJEC-HNNXBMFYSA-N 1 2 366.343 2.743 20 30 FFEDLO CC(C)Oc1ncccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000551520208 516744664 /nfs/dbraw/zinc/74/46/64/516744664.db2.gz JLKAIECQXWHNPW-UHFFFAOYSA-N 1 2 364.449 2.698 20 30 FFEDLO O=C(NCC#Cc1cccc(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000513914422 516798029 /nfs/dbraw/zinc/79/80/29/516798029.db2.gz FETCUYQMMRDJOE-UHFFFAOYSA-N 1 2 364.336 2.701 20 30 FFEDLO CC(C)(C#N)CCS(=O)(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000562000460 516871538 /nfs/dbraw/zinc/87/15/38/516871538.db2.gz COALMCPKFJDXMT-UHFFFAOYSA-N 1 2 364.515 2.668 20 30 FFEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nnc2n1c1ccccc1c(=O)n2C ZINC000532503159 517007784 /nfs/dbraw/zinc/00/77/84/517007784.db2.gz CSFCVDBAAZUSTM-UHFFFAOYSA-N 1 2 373.460 2.812 20 30 FFEDLO C=CC[N@H+](CCc1ccccc1)Cc1nnc2n1c1ccccc1c(=O)n2C ZINC000532503159 517007791 /nfs/dbraw/zinc/00/77/91/517007791.db2.gz CSFCVDBAAZUSTM-UHFFFAOYSA-N 1 2 373.460 2.812 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000514767130 517045019 /nfs/dbraw/zinc/04/50/19/517045019.db2.gz XNUAQXLAFJWJOJ-IRXDYDNUSA-N 1 2 366.527 2.777 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000514767130 517045035 /nfs/dbraw/zinc/04/50/35/517045035.db2.gz XNUAQXLAFJWJOJ-IRXDYDNUSA-N 1 2 366.527 2.777 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](OCC(F)(F)F)C3)C2=O)cc1 ZINC000532588956 517050170 /nfs/dbraw/zinc/05/01/70/517050170.db2.gz VGUHFUILQNZOLV-JKSUJKDBSA-N 1 2 367.371 2.707 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@H](OCC(F)(F)F)C3)C2=O)cc1 ZINC000532588956 517050183 /nfs/dbraw/zinc/05/01/83/517050183.db2.gz VGUHFUILQNZOLV-JKSUJKDBSA-N 1 2 367.371 2.707 20 30 FFEDLO CCOc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)ccc1OC ZINC000562386499 517071600 /nfs/dbraw/zinc/07/16/00/517071600.db2.gz YRZGQXYKCXIBKE-UHFFFAOYSA-N 1 2 352.438 2.683 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000562391770 517074838 /nfs/dbraw/zinc/07/48/38/517074838.db2.gz RTSRCJTZXFCDHV-CABCVRRESA-N 1 2 350.825 2.827 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)NCC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000562391770 517074847 /nfs/dbraw/zinc/07/48/47/517074847.db2.gz RTSRCJTZXFCDHV-CABCVRRESA-N 1 2 350.825 2.827 20 30 FFEDLO C=CCN(C(=O)[C@@H](C)[NH+]1CCSCC1)c1nc2c(s1)CCCC2 ZINC000532763762 517134694 /nfs/dbraw/zinc/13/46/94/517134694.db2.gz LCBHVOOKVJUFPX-CYBMUJFWSA-N 1 2 351.541 2.978 20 30 FFEDLO Cc1cc(C#N)cnc1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000555898061 517173882 /nfs/dbraw/zinc/17/38/82/517173882.db2.gz DRDBAYYKUYCNRO-HNNXBMFYSA-N 1 2 350.422 2.907 20 30 FFEDLO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000548753729 517191654 /nfs/dbraw/zinc/19/16/54/517191654.db2.gz APBAWZRIJLLBHH-XHSDSOJGSA-N 1 2 370.497 2.839 20 30 FFEDLO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000548753729 517191662 /nfs/dbraw/zinc/19/16/62/517191662.db2.gz APBAWZRIJLLBHH-XHSDSOJGSA-N 1 2 370.497 2.839 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3cnc(-c4ccccc4)nc3)CC2)n1 ZINC000545506790 517270938 /nfs/dbraw/zinc/27/09/38/517270938.db2.gz DEKUBEZOFREEHH-UHFFFAOYSA-N 1 2 356.433 2.732 20 30 FFEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1F ZINC000545506098 517271603 /nfs/dbraw/zinc/27/16/03/517271603.db2.gz JDLNCYBSPFHWJZ-HNNXBMFYSA-N 1 2 367.428 2.550 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Br)cc1 ZINC000533089680 517287777 /nfs/dbraw/zinc/28/77/77/517287777.db2.gz BYDHQTODMLHNBZ-DOMZBBRYSA-N 1 2 359.227 2.589 20 30 FFEDLO COCc1ccc(NC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000529816816 517361896 /nfs/dbraw/zinc/36/18/96/517361896.db2.gz SHMOCXCIOKMPJQ-KHYOSLBOSA-N 1 2 359.470 2.777 20 30 FFEDLO COCc1ccc(NC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000529816816 517361902 /nfs/dbraw/zinc/36/19/02/517361902.db2.gz SHMOCXCIOKMPJQ-KHYOSLBOSA-N 1 2 359.470 2.777 20 30 FFEDLO C=CCn1c(COc2ccccc2)nnc1SCC[N@@H+]1CCO[C@H](C)C1 ZINC000556337185 517377176 /nfs/dbraw/zinc/37/71/76/517377176.db2.gz KYENYSLIMPXYEM-MRXNPFEDSA-N 1 2 374.510 2.856 20 30 FFEDLO C=CCn1c(COc2ccccc2)nnc1SCC[N@H+]1CCO[C@H](C)C1 ZINC000556337185 517377184 /nfs/dbraw/zinc/37/71/84/517377184.db2.gz KYENYSLIMPXYEM-MRXNPFEDSA-N 1 2 374.510 2.856 20 30 FFEDLO N#Cc1cc(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)ccc1F ZINC000542141036 517402777 /nfs/dbraw/zinc/40/27/77/517402777.db2.gz UHYRVDPTHCDLDE-UHFFFAOYSA-N 1 2 356.382 2.566 20 30 FFEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2nccc(C#N)c2Cl)cc1 ZINC000552908188 517438713 /nfs/dbraw/zinc/43/87/13/517438713.db2.gz MGCAEOGCTWUAGY-QGZVFWFLSA-N 1 2 356.857 2.822 20 30 FFEDLO COC(=O)CCC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000533481969 517485244 /nfs/dbraw/zinc/48/52/44/517485244.db2.gz RYYYKYOZTGNAJO-UHFFFAOYSA-N 1 2 363.483 2.840 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1C#N ZINC000515951614 517519826 /nfs/dbraw/zinc/51/98/26/517519826.db2.gz YQBDBJKKGUJOJE-OAHLLOKOSA-N 1 2 369.396 2.922 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1C#N ZINC000515951614 517519833 /nfs/dbraw/zinc/51/98/33/517519833.db2.gz YQBDBJKKGUJOJE-OAHLLOKOSA-N 1 2 369.396 2.922 20 30 FFEDLO Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)o2)cc1 ZINC000515958761 517520265 /nfs/dbraw/zinc/52/02/65/517520265.db2.gz HCFORSITDKULJO-QGZVFWFLSA-N 1 2 361.405 2.965 20 30 FFEDLO Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)o2)cc1 ZINC000515958761 517520273 /nfs/dbraw/zinc/52/02/73/517520273.db2.gz HCFORSITDKULJO-QGZVFWFLSA-N 1 2 361.405 2.965 20 30 FFEDLO CC[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000546076038 517529930 /nfs/dbraw/zinc/52/99/30/517529930.db2.gz XPQFMVIQOKEHAJ-LJQANCHMSA-N 1 2 369.490 2.843 20 30 FFEDLO CC[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000546076038 517529944 /nfs/dbraw/zinc/52/99/44/517529944.db2.gz XPQFMVIQOKEHAJ-LJQANCHMSA-N 1 2 369.490 2.843 20 30 FFEDLO C=C(C)[C@@H](CC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1)OCC ZINC000533678190 517568138 /nfs/dbraw/zinc/56/81/38/517568138.db2.gz HJTLYQMEKJLPAO-WOJBJXKFSA-N 1 2 360.498 2.856 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000516237456 517629718 /nfs/dbraw/zinc/62/97/18/517629718.db2.gz OWPPOWBDRWQRMB-SFHVURJKSA-N 1 2 364.877 2.633 20 30 FFEDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)o1 ZINC000542616539 517651728 /nfs/dbraw/zinc/65/17/28/517651728.db2.gz ATYYRJSHFIQJNV-VXGBXAGGSA-N 1 2 359.455 2.919 20 30 FFEDLO C=C1CC[NH+](CC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)CC1 ZINC000521252906 517669194 /nfs/dbraw/zinc/66/91/94/517669194.db2.gz TUPUZXVZTAXPTF-UHFFFAOYSA-N 1 2 352.482 2.816 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(F)c(F)c3)CC2)cc1 ZINC000516374234 517675065 /nfs/dbraw/zinc/67/50/65/517675065.db2.gz RKEUVFZFKIOAQN-UHFFFAOYSA-N 1 2 370.403 2.864 20 30 FFEDLO CCOC(=O)c1cnn(C2CC[NH+](Cc3nc(C#N)cs3)CC2)c1C ZINC000521322415 517693728 /nfs/dbraw/zinc/69/37/28/517693728.db2.gz OBJJTHQIFVGNDP-UHFFFAOYSA-N 1 2 359.455 2.534 20 30 FFEDLO C[C@@H](c1ccc(-c2ccc(O)c(C#N)c2)cc1)N1CC[NH+](CCO)CC1 ZINC000527586237 517774889 /nfs/dbraw/zinc/77/48/89/517774889.db2.gz CQWJMAQEQLFYAD-INIZCTEOSA-N 1 2 351.450 2.602 20 30 FFEDLO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000560584480 517911118 /nfs/dbraw/zinc/91/11/18/517911118.db2.gz WENDKLXRDDGDQW-HNNXBMFYSA-N 1 2 356.382 2.862 20 30 FFEDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000560584480 517911129 /nfs/dbraw/zinc/91/11/29/517911129.db2.gz WENDKLXRDDGDQW-HNNXBMFYSA-N 1 2 356.382 2.862 20 30 FFEDLO CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546917456 517918303 /nfs/dbraw/zinc/91/83/03/517918303.db2.gz XYIFEKKJEWZCPK-INIZCTEOSA-N 1 2 363.465 2.665 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1CCc1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000547047613 517968144 /nfs/dbraw/zinc/96/81/44/517968144.db2.gz BDRBIDCQOOAMPV-UHFFFAOYSA-N 1 2 350.426 2.876 20 30 FFEDLO CC[C@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000560706667 517980496 /nfs/dbraw/zinc/98/04/96/517980496.db2.gz MGZUWDPXHOQTQQ-QFBILLFUSA-N 1 2 356.470 2.960 20 30 FFEDLO CC[C@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000560706667 517980506 /nfs/dbraw/zinc/98/05/06/517980506.db2.gz MGZUWDPXHOQTQQ-QFBILLFUSA-N 1 2 356.470 2.960 20 30 FFEDLO Cn1cc([C@H]2CN(CCC(C)(C)C#N)CC[N@@H+]2CCC(C)(C)C#N)cn1 ZINC000543244888 517985258 /nfs/dbraw/zinc/98/52/58/517985258.db2.gz LBIUJPKMLNXIDZ-GOSISDBHSA-N 1 2 356.518 2.959 20 30 FFEDLO Cn1cc([C@H]2CN(CCC(C)(C)C#N)CC[N@H+]2CCC(C)(C)C#N)cn1 ZINC000543244888 517985268 /nfs/dbraw/zinc/98/52/68/517985268.db2.gz LBIUJPKMLNXIDZ-GOSISDBHSA-N 1 2 356.518 2.959 20 30 FFEDLO CC1(C)C[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)Cc2ccccc21 ZINC000534680834 517997952 /nfs/dbraw/zinc/99/79/52/517997952.db2.gz WFYPIVLOLOVRTR-LJQANCHMSA-N 1 2 359.429 2.984 20 30 FFEDLO CC1(C)C[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)Cc2ccccc21 ZINC000534680834 517997958 /nfs/dbraw/zinc/99/79/58/517997958.db2.gz WFYPIVLOLOVRTR-LJQANCHMSA-N 1 2 359.429 2.984 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000557422385 517998219 /nfs/dbraw/zinc/99/82/19/517998219.db2.gz WNBHXYOMYVYWIN-LJQANCHMSA-N 1 2 368.437 2.727 20 30 FFEDLO C[C@H]1CN(c2ccc(CNc3nccc(C#N)c3Cl)c[nH+]2)C[C@H](C)O1 ZINC000557495251 518037336 /nfs/dbraw/zinc/03/73/36/518037336.db2.gz XJJWJPIXZBFUMO-STQMWFEESA-N 1 2 357.845 2.649 20 30 FFEDLO COCC[N@H+](CC(=O)N([C@@H](C)C1CC1)C1CC1)Cc1ccc(C#N)cc1 ZINC000550444947 518062858 /nfs/dbraw/zinc/06/28/58/518062858.db2.gz VPRHZXASPMAZJF-INIZCTEOSA-N 1 2 355.482 2.796 20 30 FFEDLO COCC[N@@H+](CC(=O)N([C@@H](C)C1CC1)C1CC1)Cc1ccc(C#N)cc1 ZINC000550444947 518062872 /nfs/dbraw/zinc/06/28/72/518062872.db2.gz VPRHZXASPMAZJF-INIZCTEOSA-N 1 2 355.482 2.796 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000522279860 518062837 /nfs/dbraw/zinc/06/28/37/518062837.db2.gz FWJXFPIHUKKMMS-UHFFFAOYSA-N 1 2 366.446 2.590 20 30 FFEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000550489455 518082968 /nfs/dbraw/zinc/08/29/68/518082968.db2.gz IPTOUXLNDPNBPT-NSHDSACASA-N 1 2 356.207 2.573 20 30 FFEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000550489455 518082978 /nfs/dbraw/zinc/08/29/78/518082978.db2.gz IPTOUXLNDPNBPT-NSHDSACASA-N 1 2 356.207 2.573 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](Cc2ccc(F)cc2)CC2CC2)nc1 ZINC000517257715 518094801 /nfs/dbraw/zinc/09/48/01/518094801.db2.gz CDQLTJCKHGKIAS-UHFFFAOYSA-N 1 2 373.453 2.778 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](Cc2ccc(F)cc2)CC2CC2)nc1 ZINC000517257715 518094809 /nfs/dbraw/zinc/09/48/09/518094809.db2.gz CDQLTJCKHGKIAS-UHFFFAOYSA-N 1 2 373.453 2.778 20 30 FFEDLO C=CCCOCCNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000550520196 518097123 /nfs/dbraw/zinc/09/71/23/518097123.db2.gz LTFGOLHCRNBTOT-UHFFFAOYSA-N 1 2 355.394 2.521 20 30 FFEDLO N#Cc1ccc(Cc2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cn1 ZINC000528118674 518102961 /nfs/dbraw/zinc/10/29/61/518102961.db2.gz HZSCSMGQWIXLOJ-SFHVURJKSA-N 1 2 361.405 2.501 20 30 FFEDLO N#Cc1ccc(Cc2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cn1 ZINC000528118674 518102967 /nfs/dbraw/zinc/10/29/67/518102967.db2.gz HZSCSMGQWIXLOJ-SFHVURJKSA-N 1 2 361.405 2.501 20 30 FFEDLO COC(=O)c1cccc(C[NH2+][C@H](c2nnc3ccccn32)C(C)C)c1C#N ZINC000543474840 518111559 /nfs/dbraw/zinc/11/15/59/518111559.db2.gz RVOAPBXLGVQLAA-SFHVURJKSA-N 1 2 363.421 2.874 20 30 FFEDLO CC1CC[NH+](Cc2csc(NC(=O)Cc3ccc(C#N)nc3)n2)CC1 ZINC000528137117 518112820 /nfs/dbraw/zinc/11/28/20/518112820.db2.gz CQQSGKWRXNONPW-UHFFFAOYSA-N 1 2 355.467 2.823 20 30 FFEDLO CCOC(=O)c1sc([C@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)nc1C ZINC000543547148 518132855 /nfs/dbraw/zinc/13/28/55/518132855.db2.gz PPDIVGOQCDHJRQ-LBPRGKRZSA-N 1 2 372.450 2.789 20 30 FFEDLO N#Cc1csc(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)n1 ZINC000584201840 518223834 /nfs/dbraw/zinc/22/38/34/518223834.db2.gz NLPWWOHPELLHAB-GFCCVEGCSA-N 1 2 366.368 2.929 20 30 FFEDLO C/C(=C\c1ccccc1)C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000578512285 518246256 /nfs/dbraw/zinc/24/62/56/518246256.db2.gz INBNGOPEIXGUIT-FOWTUZBSSA-N 1 2 355.463 2.762 20 30 FFEDLO C/C(=C\c1ccccc1)C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000578512285 518246259 /nfs/dbraw/zinc/24/62/59/518246259.db2.gz INBNGOPEIXGUIT-FOWTUZBSSA-N 1 2 355.463 2.762 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](C)CCOCc2ccc(C#N)cc2)c1C#N ZINC000564151089 518326135 /nfs/dbraw/zinc/32/61/35/518326135.db2.gz DOAOLEBVWXRKSY-UHFFFAOYSA-N 1 2 363.417 2.865 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)c1C#N ZINC000564151089 518326140 /nfs/dbraw/zinc/32/61/40/518326140.db2.gz DOAOLEBVWXRKSY-UHFFFAOYSA-N 1 2 363.417 2.865 20 30 FFEDLO C[C@H](CC(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)n1cc[nH+]c1 ZINC000567054205 518330389 /nfs/dbraw/zinc/33/03/89/518330389.db2.gz CLQYBAKDOWVKLC-QAPCUYQASA-N 1 2 371.872 2.897 20 30 FFEDLO C[C@@H](CC(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)n1cc[nH+]c1 ZINC000567054206 518331025 /nfs/dbraw/zinc/33/10/25/518331025.db2.gz CLQYBAKDOWVKLC-YJBOKZPZSA-N 1 2 371.872 2.897 20 30 FFEDLO N#CCCn1cc(C[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)c(-c2ccccc2)n1 ZINC000578773752 518367723 /nfs/dbraw/zinc/36/77/23/518367723.db2.gz CQHWWJBGPGTRKE-IBGZPJMESA-N 1 2 364.449 2.644 20 30 FFEDLO N#CCCn1cc(C[N@H+]2CCO[C@H](C(=O)C3CC3)C2)c(-c2ccccc2)n1 ZINC000578773752 518367729 /nfs/dbraw/zinc/36/77/29/518367729.db2.gz CQHWWJBGPGTRKE-IBGZPJMESA-N 1 2 364.449 2.644 20 30 FFEDLO CCc1oc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1C(=O)OC ZINC000576055904 518407627 /nfs/dbraw/zinc/40/76/27/518407627.db2.gz KIRQSYJFJRFBAI-UHFFFAOYSA-N 1 2 371.412 2.962 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3nccs3)CC2)c(OC(F)F)c1 ZINC000581704954 518415572 /nfs/dbraw/zinc/41/55/72/518415572.db2.gz QWZPSDIGEZVUKF-UHFFFAOYSA-N 1 2 350.394 2.938 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](C/C=C/c3ccc(F)c(F)c3)CC2)c1C#N ZINC000584681781 518427586 /nfs/dbraw/zinc/42/75/86/518427586.db2.gz UDXOZQZRLFJGBV-ONEGZZNKSA-N 1 2 357.408 2.714 20 30 FFEDLO C=CCCCCCNC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000573017995 518468842 /nfs/dbraw/zinc/46/88/42/518468842.db2.gz WPJYHPFWFSNARJ-QGZVFWFLSA-N 1 2 373.497 2.881 20 30 FFEDLO C[C@](C#N)(NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000564518671 518483272 /nfs/dbraw/zinc/48/32/72/518483272.db2.gz ZAGCSRADZPGOCV-TZIWHRDSSA-N 1 2 355.482 2.866 20 30 FFEDLO C[C@](C#N)(NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000564518671 518483276 /nfs/dbraw/zinc/48/32/76/518483276.db2.gz ZAGCSRADZPGOCV-TZIWHRDSSA-N 1 2 355.482 2.866 20 30 FFEDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC2 ZINC000570215836 518499617 /nfs/dbraw/zinc/49/96/17/518499617.db2.gz LKKOZJROVYYGSW-UHFFFAOYSA-N 1 2 351.362 2.811 20 30 FFEDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC2 ZINC000570215836 518499620 /nfs/dbraw/zinc/49/96/20/518499620.db2.gz LKKOZJROVYYGSW-UHFFFAOYSA-N 1 2 351.362 2.811 20 30 FFEDLO CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC1=O ZINC000579126526 518534920 /nfs/dbraw/zinc/53/49/20/518534920.db2.gz NCPNIFJCVGVELE-GCKMJXCFSA-N 1 2 370.497 2.513 20 30 FFEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000585799768 518606507 /nfs/dbraw/zinc/60/65/07/518606507.db2.gz NIDXHEUBPQXZPY-FGTMMUONSA-N 1 2 368.437 2.624 20 30 FFEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000585799768 518606510 /nfs/dbraw/zinc/60/65/10/518606510.db2.gz NIDXHEUBPQXZPY-FGTMMUONSA-N 1 2 368.437 2.624 20 30 FFEDLO N#Cc1cnn2cc(CN3CC[NH+](Cc4ccc(Cl)s4)CC3)cnc12 ZINC000564989291 518732317 /nfs/dbraw/zinc/73/23/17/518732317.db2.gz YATPTHSPDUWJJJ-UHFFFAOYSA-N 1 2 372.885 2.634 20 30 FFEDLO C=CCSc1ccccc1C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000570689784 518733945 /nfs/dbraw/zinc/73/39/45/518733945.db2.gz ZNBMIRIOHVYKTO-HNNXBMFYSA-N 1 2 371.506 2.749 20 30 FFEDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)CCCCCC#N)CC2)c1 ZINC000588249450 518762047 /nfs/dbraw/zinc/76/20/47/518762047.db2.gz NVUKFNMXPGAFPG-UHFFFAOYSA-N 1 2 359.470 2.822 20 30 FFEDLO N#CC1(CS(=O)(=O)NCc2[nH+]ccn2CCCc2ccccc2)CCC1 ZINC000576864907 518802092 /nfs/dbraw/zinc/80/20/92/518802092.db2.gz DNNCRVWSZRYWHP-UHFFFAOYSA-N 1 2 372.494 2.629 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCCCS3)CC2)cc1 ZINC000576885055 518810089 /nfs/dbraw/zinc/81/00/89/518810089.db2.gz OURLWOSXNHESRM-GOSISDBHSA-N 1 2 358.511 2.671 20 30 FFEDLO C[C@@H](C(=O)NCC(C)(C)CCC#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000582566356 518815026 /nfs/dbraw/zinc/81/50/26/518815026.db2.gz KSFNTNKVXAOLQT-INIZCTEOSA-N 1 2 360.477 2.782 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000579718655 518819965 /nfs/dbraw/zinc/81/99/65/518819965.db2.gz KRSZIDMLKRQFNL-NRFANRHFSA-N 1 2 362.433 2.711 20 30 FFEDLO C=CCC[C@@H](C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1)c1ccccc1 ZINC000570934731 518851010 /nfs/dbraw/zinc/85/10/10/518851010.db2.gz QCFYZPADCMTASX-RTBURBONSA-N 1 2 367.493 2.907 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCSC[C@@H]2C2CCC2)cc1 ZINC000579816860 518868671 /nfs/dbraw/zinc/86/86/71/518868671.db2.gz ALUMZYXIZZUZDV-QGZVFWFLSA-N 1 2 350.509 2.549 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCSC[C@@H]2C2CCC2)cc1 ZINC000579816860 518868677 /nfs/dbraw/zinc/86/86/77/518868677.db2.gz ALUMZYXIZZUZDV-QGZVFWFLSA-N 1 2 350.509 2.549 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCSC[C@H]2C2CCC2)cc1 ZINC000579816859 518869300 /nfs/dbraw/zinc/86/93/00/518869300.db2.gz ALUMZYXIZZUZDV-KRWDZBQOSA-N 1 2 350.509 2.549 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCSC[C@H]2C2CCC2)cc1 ZINC000579816859 518869306 /nfs/dbraw/zinc/86/93/06/518869306.db2.gz ALUMZYXIZZUZDV-KRWDZBQOSA-N 1 2 350.509 2.549 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cnnn2-c2ccccc2)CC1 ZINC000588962893 518881964 /nfs/dbraw/zinc/88/19/64/518881964.db2.gz CDSWHTFOFJDCSZ-OAQYLSRUSA-N 1 2 358.449 2.650 20 30 FFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000589730266 519072842 /nfs/dbraw/zinc/07/28/42/519072842.db2.gz YABGUYCDEDUXBR-NRFANRHFSA-N 1 2 360.461 2.980 20 30 FFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000589730266 519072846 /nfs/dbraw/zinc/07/28/46/519072846.db2.gz YABGUYCDEDUXBR-NRFANRHFSA-N 1 2 360.461 2.980 20 30 FFEDLO Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1NC(=O)c1ccccc1 ZINC000589826987 519085406 /nfs/dbraw/zinc/08/54/06/519085406.db2.gz UZRRFGKZVSBVMT-OAQYLSRUSA-N 1 2 364.449 2.821 20 30 FFEDLO Cc1cc(NC(=O)Cc2c(F)cccc2C#N)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000574304426 519090177 /nfs/dbraw/zinc/09/01/77/519090177.db2.gz OFOYHQWELBNABF-UHFFFAOYSA-N 1 2 364.384 2.780 20 30 FFEDLO COC(=O)C(C)(C)N1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000577805830 519262608 /nfs/dbraw/zinc/26/26/08/519262608.db2.gz JRNRLVADOFAZBM-UHFFFAOYSA-N 1 2 369.387 2.646 20 30 FFEDLO COCCOc1cccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)c1 ZINC000572330595 519556395 /nfs/dbraw/zinc/55/63/95/519556395.db2.gz YFJSNXPDRSOQMN-UHFFFAOYSA-N 1 2 372.494 2.671 20 30 FFEDLO COC(=O)c1ccc(NCc2ccc(N3CCCCC3)[nH+]c2)c(C#N)n1 ZINC000581242788 519595179 /nfs/dbraw/zinc/59/51/79/519595179.db2.gz USVMQRPUTUQEAC-UHFFFAOYSA-N 1 2 351.410 2.737 20 30 FFEDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@H](C)N1CC#N ZINC000602856106 519928317 /nfs/dbraw/zinc/92/83/17/519928317.db2.gz YMGZFFHTMBAUGW-AHIWAGSCSA-N 1 2 364.852 2.503 20 30 FFEDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@H](C)N1CC#N ZINC000602856106 519928325 /nfs/dbraw/zinc/92/83/25/519928325.db2.gz YMGZFFHTMBAUGW-AHIWAGSCSA-N 1 2 364.852 2.503 20 30 FFEDLO C[C@@H]1C[N@@H+](CCOc2ccccc2Br)C[C@H](C)N1CC#N ZINC000602856017 519928724 /nfs/dbraw/zinc/92/87/24/519928724.db2.gz XVSNHJKKBRZKIR-OKILXGFUSA-N 1 2 352.276 2.746 20 30 FFEDLO C[C@@H]1C[N@H+](CCOc2ccccc2Br)C[C@H](C)N1CC#N ZINC000602856017 519928733 /nfs/dbraw/zinc/92/87/33/519928733.db2.gz XVSNHJKKBRZKIR-OKILXGFUSA-N 1 2 352.276 2.746 20 30 FFEDLO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602856934 519929666 /nfs/dbraw/zinc/92/96/66/519929666.db2.gz MXCDSRMVJLGGMB-GUDVDZBRSA-N 1 2 368.525 2.732 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@H](C)N1CC#N ZINC000602855542 519929853 /nfs/dbraw/zinc/92/98/53/519929853.db2.gz HYWNROLWNXSYFO-BETUJISGSA-N 1 2 354.376 2.562 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@H](C)N1CC#N ZINC000602855542 519929860 /nfs/dbraw/zinc/92/98/60/519929860.db2.gz HYWNROLWNXSYFO-BETUJISGSA-N 1 2 354.376 2.562 20 30 FFEDLO C[C@H](CC#N)[NH2+]CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000602860726 519933249 /nfs/dbraw/zinc/93/32/49/519933249.db2.gz DQTILEYHXQUBMH-GFCCVEGCSA-N 1 2 373.844 2.773 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cc1OC ZINC000602979447 520003120 /nfs/dbraw/zinc/00/31/20/520003120.db2.gz DMYBOIQLAWCXGL-KSZLIROESA-N 1 2 371.481 2.991 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1OC ZINC000602979447 520003127 /nfs/dbraw/zinc/00/31/27/520003127.db2.gz DMYBOIQLAWCXGL-KSZLIROESA-N 1 2 371.481 2.991 20 30 FFEDLO C[N@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602981094 520005077 /nfs/dbraw/zinc/00/50/77/520005077.db2.gz ZMGNHXYZXOPKFO-UKRRQHHQSA-N 1 2 355.360 2.825 20 30 FFEDLO C[N@@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602981094 520005085 /nfs/dbraw/zinc/00/50/85/520005085.db2.gz ZMGNHXYZXOPKFO-UKRRQHHQSA-N 1 2 355.360 2.825 20 30 FFEDLO N#CCN1CC[NH+](Cc2c(Oc3ccc(F)cc3)nc3ccccn32)CC1 ZINC000600117110 520057619 /nfs/dbraw/zinc/05/76/19/520057619.db2.gz SSALETXPRHOCSK-UHFFFAOYSA-N 1 2 365.412 2.907 20 30 FFEDLO N#CC[C@@H](CC(=O)NCc1nc(C[NH+]2CCCCC2)no1)c1ccccc1 ZINC000597621893 520141887 /nfs/dbraw/zinc/14/18/87/520141887.db2.gz OKQSCGVDOLMFMP-KRWDZBQOSA-N 1 2 367.453 2.759 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000594767474 520145911 /nfs/dbraw/zinc/14/59/11/520145911.db2.gz LDJJYNWFJFGFCT-OLZOCXBDSA-N 1 2 363.508 2.795 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000594767474 520145918 /nfs/dbraw/zinc/14/59/18/520145918.db2.gz LDJJYNWFJFGFCT-OLZOCXBDSA-N 1 2 363.508 2.795 20 30 FFEDLO C[N@@H+](Cc1ccncc1C#N)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000592068881 520164884 /nfs/dbraw/zinc/16/48/84/520164884.db2.gz KVXHQHMYMQLSHR-HNNXBMFYSA-N 1 2 365.355 2.844 20 30 FFEDLO C[N@H+](Cc1ccncc1C#N)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000592068881 520164889 /nfs/dbraw/zinc/16/48/89/520164889.db2.gz KVXHQHMYMQLSHR-HNNXBMFYSA-N 1 2 365.355 2.844 20 30 FFEDLO C[N@@H+](Cc1ccncc1C#N)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000592070864 520166942 /nfs/dbraw/zinc/16/69/42/520166942.db2.gz RTFQQCKNWCRGKD-INIZCTEOSA-N 1 2 365.355 2.844 20 30 FFEDLO C[N@H+](Cc1ccncc1C#N)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000592070864 520166947 /nfs/dbraw/zinc/16/69/47/520166947.db2.gz RTFQQCKNWCRGKD-INIZCTEOSA-N 1 2 365.355 2.844 20 30 FFEDLO C[C@@H]1CN(Cc2ccncc2C#N)C(C)(C)C[N@@H+]1Cc1ccncc1C#N ZINC000592121683 520197579 /nfs/dbraw/zinc/19/75/79/520197579.db2.gz AQASXFMXXURJEM-MRXNPFEDSA-N 1 2 360.465 2.705 20 30 FFEDLO C[C@@H]1CN(Cc2ccncc2C#N)C(C)(C)C[N@H+]1Cc1ccncc1C#N ZINC000592121683 520197581 /nfs/dbraw/zinc/19/75/81/520197581.db2.gz AQASXFMXXURJEM-MRXNPFEDSA-N 1 2 360.465 2.705 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccncc2C#N)C(C)(C)CN1Cc1ccncc1C#N ZINC000592121683 520197588 /nfs/dbraw/zinc/19/75/88/520197588.db2.gz AQASXFMXXURJEM-MRXNPFEDSA-N 1 2 360.465 2.705 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccncc2C#N)C(C)(C)CN1Cc1ccncc1C#N ZINC000592121683 520197594 /nfs/dbraw/zinc/19/75/94/520197594.db2.gz AQASXFMXXURJEM-MRXNPFEDSA-N 1 2 360.465 2.705 20 30 FFEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000600422975 520253384 /nfs/dbraw/zinc/25/33/84/520253384.db2.gz YBNYLIRCSUDLBE-QGZVFWFLSA-N 1 2 367.474 2.770 20 30 FFEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000600422975 520253395 /nfs/dbraw/zinc/25/33/95/520253395.db2.gz YBNYLIRCSUDLBE-QGZVFWFLSA-N 1 2 367.474 2.770 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N[C@H](C)c2ccccc2Cl)CC1 ZINC000609484832 520327751 /nfs/dbraw/zinc/32/77/51/520327751.db2.gz FZFTVVIXDWKSRA-QAPCUYQASA-N 1 2 362.905 2.683 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000609484343 520327911 /nfs/dbraw/zinc/32/79/11/520327911.db2.gz AXKFOGOPSZBFRF-APWZRJJASA-N 1 2 360.477 2.511 20 30 FFEDLO N#CC1(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000597932077 520332644 /nfs/dbraw/zinc/33/26/44/520332644.db2.gz IKAQULZAANHUKG-UXHICEINSA-N 1 2 367.493 2.962 20 30 FFEDLO N#CC1(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CCCCC1 ZINC000597932077 520332655 /nfs/dbraw/zinc/33/26/55/520332655.db2.gz IKAQULZAANHUKG-UXHICEINSA-N 1 2 367.493 2.962 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000603662271 520338491 /nfs/dbraw/zinc/33/84/91/520338491.db2.gz OSUSDSMVEAOLCJ-PZJWPPBQSA-N 1 2 370.424 2.705 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000603662271 520338500 /nfs/dbraw/zinc/33/85/00/520338500.db2.gz OSUSDSMVEAOLCJ-PZJWPPBQSA-N 1 2 370.424 2.705 20 30 FFEDLO CCC[C@@H](NC(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1)c1ccccc1 ZINC000609537529 520347264 /nfs/dbraw/zinc/34/72/64/520347264.db2.gz AFQKJNBESSFTSP-WOJBJXKFSA-N 1 2 356.514 2.810 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000595219618 520355191 /nfs/dbraw/zinc/35/51/91/520355191.db2.gz LHKLVHRPEUPLGM-STQMWFEESA-N 1 2 371.466 2.630 20 30 FFEDLO N#CC1(CC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)CCOCC1 ZINC000600678157 520393603 /nfs/dbraw/zinc/39/36/03/520393603.db2.gz MFLCWIYHOLOQKU-UHFFFAOYSA-N 1 2 366.465 2.523 20 30 FFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C(N)=O)cc1 ZINC000609671690 520401215 /nfs/dbraw/zinc/40/12/15/520401215.db2.gz MKPVVPIJALADNL-QGZVFWFLSA-N 1 2 371.824 2.689 20 30 FFEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN([C@@H](C#N)c3ccccc3)CC2)n1 ZINC000595336682 520414609 /nfs/dbraw/zinc/41/46/09/520414609.db2.gz PZDKKSYPAHPWEW-RDJZCZTQSA-N 1 2 355.442 2.550 20 30 FFEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN([C@@H](C#N)c3ccccc3)CC2)n1 ZINC000595336682 520414614 /nfs/dbraw/zinc/41/46/14/520414614.db2.gz PZDKKSYPAHPWEW-RDJZCZTQSA-N 1 2 355.442 2.550 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](C)[C@@H](C)CC#N)c1CN(C)[C@H](C)CC#N ZINC000595342914 520418674 /nfs/dbraw/zinc/41/86/74/520418674.db2.gz CFYFQECHWMWUPW-JKSUJKDBSA-N 1 2 356.470 2.941 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)CC#N)c1CN(C)[C@H](C)CC#N ZINC000595342914 520418684 /nfs/dbraw/zinc/41/86/84/520418684.db2.gz CFYFQECHWMWUPW-JKSUJKDBSA-N 1 2 356.470 2.941 20 30 FFEDLO CCc1nnc([C@@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[nH]1 ZINC000595368448 520432666 /nfs/dbraw/zinc/43/26/66/520432666.db2.gz WGPAEAHOQTUJGH-CYBMUJFWSA-N 1 2 352.442 2.650 20 30 FFEDLO Cc1nc(CN2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)n[nH]1 ZINC000609849553 520457444 /nfs/dbraw/zinc/45/74/44/520457444.db2.gz UVVVHLKYHIRLNX-UHFFFAOYSA-N 1 2 372.476 2.970 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)N2CCC[C@H](CC#N)C2)[NH+]2CCOCC2)c1 ZINC000595448414 520477449 /nfs/dbraw/zinc/47/74/49/520477449.db2.gz KFASJNOLKWOQSL-QUCCMNQESA-N 1 2 370.497 2.704 20 30 FFEDLO N#Cc1cccc(OCC[N@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)c1 ZINC000610004569 520503256 /nfs/dbraw/zinc/50/32/56/520503256.db2.gz XDKFZWSDKKVQSR-UHFFFAOYSA-N 1 2 369.852 2.935 20 30 FFEDLO N#Cc1cccc(OCC[N@@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)c1 ZINC000610004569 520503262 /nfs/dbraw/zinc/50/32/62/520503262.db2.gz XDKFZWSDKKVQSR-UHFFFAOYSA-N 1 2 369.852 2.935 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000604276219 520503741 /nfs/dbraw/zinc/50/37/41/520503741.db2.gz HMQBPCPWFKMBRT-GMTAPVOTSA-N 1 2 359.314 2.810 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+]([C@H]1CC(=O)N(c3ccccc3F)C1=O)C2 ZINC000600884950 520513975 /nfs/dbraw/zinc/51/39/75/520513975.db2.gz GSJUDEUXAYGPFE-IBGZPJMESA-N 1 2 363.392 2.582 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+]([C@H]1CC(=O)N(c3ccccc3F)C1=O)C2 ZINC000600884950 520513984 /nfs/dbraw/zinc/51/39/84/520513984.db2.gz GSJUDEUXAYGPFE-IBGZPJMESA-N 1 2 363.392 2.582 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNc3c(C#N)nnc4ccccc43)c[nH+]2)CCO1 ZINC000610116442 520547417 /nfs/dbraw/zinc/54/74/17/520547417.db2.gz UXQQZVRJPCHXSZ-CQSZACIVSA-N 1 2 360.421 2.734 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC2)cc1 ZINC000600944544 520551920 /nfs/dbraw/zinc/55/19/20/520551920.db2.gz CISGPPUDAGMJBY-UHFFFAOYSA-N 1 2 368.368 2.564 20 30 FFEDLO C[C@@H](NC(=O)c1sccc1C#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610155473 520561245 /nfs/dbraw/zinc/56/12/45/520561245.db2.gz QOADFSBOLUGUBT-RHSMWYFYSA-N 1 2 355.463 2.639 20 30 FFEDLO C[C@@H](NC(=O)c1sccc1C#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610155473 520561254 /nfs/dbraw/zinc/56/12/54/520561254.db2.gz QOADFSBOLUGUBT-RHSMWYFYSA-N 1 2 355.463 2.639 20 30 FFEDLO C[C@H](NC(=O)c1sccc1C#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610155475 520561591 /nfs/dbraw/zinc/56/15/91/520561591.db2.gz QOADFSBOLUGUBT-YOEHRIQHSA-N 1 2 355.463 2.639 20 30 FFEDLO C[C@H](NC(=O)c1sccc1C#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610155475 520561598 /nfs/dbraw/zinc/56/15/98/520561598.db2.gz QOADFSBOLUGUBT-YOEHRIQHSA-N 1 2 355.463 2.639 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(OC2CCCC2)cc1 ZINC000604538468 520593128 /nfs/dbraw/zinc/59/31/28/520593128.db2.gz QFKAYDJWAPQVPJ-UHFFFAOYSA-N 1 2 371.481 2.696 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595620029 520600033 /nfs/dbraw/zinc/60/00/33/520600033.db2.gz JVCFSXOEXMUAIM-NWDGAFQWSA-N 1 2 351.353 2.961 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595620029 520600040 /nfs/dbraw/zinc/60/00/40/520600040.db2.gz JVCFSXOEXMUAIM-NWDGAFQWSA-N 1 2 351.353 2.961 20 30 FFEDLO N#Cc1sccc1N1CC[NH+](CCCn2c(=O)[nH]c3ccccc32)CC1 ZINC000595630565 520607467 /nfs/dbraw/zinc/60/74/67/520607467.db2.gz DZZCEHSBDWYTTQ-UHFFFAOYSA-N 1 2 367.478 2.887 20 30 FFEDLO C[C@H]1CN(c2ccc(CNc3ncc(C#N)c4ccsc43)c[nH+]2)CCO1 ZINC000601104581 520638496 /nfs/dbraw/zinc/63/84/96/520638496.db2.gz AWUQNKWFPIIPHA-ZDUSSCGKSA-N 1 2 365.462 2.822 20 30 FFEDLO N#Cc1ccc(-c2ccc(OCC[N@@H+]3CCNC(=O)C3)cc2)cc1Cl ZINC000592987795 520672124 /nfs/dbraw/zinc/67/21/24/520672124.db2.gz CQYNGMBYOXTOLH-UHFFFAOYSA-N 1 2 355.825 2.689 20 30 FFEDLO N#Cc1ccc(-c2ccc(OCC[N@H+]3CCNC(=O)C3)cc2)cc1Cl ZINC000592987795 520672128 /nfs/dbraw/zinc/67/21/28/520672128.db2.gz CQYNGMBYOXTOLH-UHFFFAOYSA-N 1 2 355.825 2.689 20 30 FFEDLO C=CCCSCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000595722782 520672336 /nfs/dbraw/zinc/67/23/36/520672336.db2.gz JAPKSJFGOCRLCP-UHFFFAOYSA-N 1 2 358.511 2.695 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)ccn1 ZINC000595727075 520675702 /nfs/dbraw/zinc/67/57/02/520675702.db2.gz WDVXWDGMRUVKTC-UHFFFAOYSA-N 1 2 374.448 2.674 20 30 FFEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC000593001730 520677531 /nfs/dbraw/zinc/67/75/31/520677531.db2.gz IDWUUEXRLLZLPZ-UHFFFAOYSA-N 1 2 358.449 2.571 20 30 FFEDLO CC[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1nnc2n1CCCCC2 ZINC000595799494 520733661 /nfs/dbraw/zinc/73/36/61/520733661.db2.gz HCOVBGKTQWSZPS-INIZCTEOSA-N 1 2 352.442 2.556 20 30 FFEDLO Cc1nccc([C@@H]2CCC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000610581024 520749078 /nfs/dbraw/zinc/74/90/78/520749078.db2.gz XZIQBWOHBIVONU-WBVHZDCISA-N 1 2 367.478 2.703 20 30 FFEDLO Cc1nccc([C@@H]2CCC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000610581024 520749085 /nfs/dbraw/zinc/74/90/85/520749085.db2.gz XZIQBWOHBIVONU-WBVHZDCISA-N 1 2 367.478 2.703 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC3(CCc4ccccc4O3)CC2)cc1 ZINC000595829623 520753778 /nfs/dbraw/zinc/75/37/78/520753778.db2.gz XDHJDXKOXFLMEX-FQEVSTJZSA-N 1 2 361.445 2.944 20 30 FFEDLO COc1nc(C)cc(C)c1C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000598650726 520762129 /nfs/dbraw/zinc/76/21/29/520762129.db2.gz WUAAEUVLTXHJDU-INIZCTEOSA-N 1 2 358.486 2.870 20 30 FFEDLO COc1nc(C)cc(C)c1C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000598650726 520762132 /nfs/dbraw/zinc/76/21/32/520762132.db2.gz WUAAEUVLTXHJDU-INIZCTEOSA-N 1 2 358.486 2.870 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](CO)c2ccc(F)cc2F)c(C#N)c1C ZINC000595865526 520777423 /nfs/dbraw/zinc/77/74/23/520777423.db2.gz AAXFREYLXVTMGZ-MGPLVRAMSA-N 1 2 363.364 2.697 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccnn3CCc3ccccc3)CC2)nc1 ZINC000598679624 520783765 /nfs/dbraw/zinc/78/37/65/520783765.db2.gz WZJNSWHXEZNJBH-UHFFFAOYSA-N 1 2 372.476 2.715 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccnn2CCc2ccccc2)CC1 ZINC000598679806 520784416 /nfs/dbraw/zinc/78/44/16/520784416.db2.gz ZRLMRRRQFPNYNV-UHFFFAOYSA-N 1 2 372.476 2.715 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000593155725 520785815 /nfs/dbraw/zinc/78/58/15/520785815.db2.gz XEVZZDPRHYRMND-IBGZPJMESA-N 1 2 367.409 2.912 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[NH2+]CC(F)(F)c2ccc(F)cc2)cc1 ZINC000596064923 520889818 /nfs/dbraw/zinc/88/98/18/520889818.db2.gz KEKXKUHQFIKNCG-MRXNPFEDSA-N 1 2 350.340 2.819 20 30 FFEDLO N#Cc1cc(O)cc(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)c1 ZINC000614373970 520930442 /nfs/dbraw/zinc/93/04/42/520930442.db2.gz LWGKEKYPVHEDDQ-UHFFFAOYSA-N 1 2 372.428 2.902 20 30 FFEDLO CC(C)(C)OC(=O)C1([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CCCC1 ZINC000610988558 520931838 /nfs/dbraw/zinc/93/18/38/520931838.db2.gz FXWUFMYCUZZDAG-QGZVFWFLSA-N 1 2 374.481 2.736 20 30 FFEDLO C=CCSCCNC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000598979069 520957521 /nfs/dbraw/zinc/95/75/21/520957521.db2.gz UMPMWBSSWFVOAG-UHFFFAOYSA-N 1 2 358.511 2.914 20 30 FFEDLO COC(=O)Cc1cc[nH+]c(N2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC000596213293 520974360 /nfs/dbraw/zinc/97/43/60/520974360.db2.gz YWQYBTUBQDFZAK-UHFFFAOYSA-N 1 2 370.840 2.649 20 30 FFEDLO CC(C)(CNC(=O)c1c(Cl)cc(C#N)cc1Cl)[NH+]1CCOCC1 ZINC000611092674 520980915 /nfs/dbraw/zinc/98/09/15/520980915.db2.gz IBLUMIRMLSTCPI-UHFFFAOYSA-N 1 2 356.253 2.706 20 30 FFEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000614464584 520981554 /nfs/dbraw/zinc/98/15/54/520981554.db2.gz VEVFKUGCFXLRQA-UHFFFAOYSA-N 1 2 367.424 2.972 20 30 FFEDLO N#Cc1cc(F)c(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c(F)c1 ZINC000601851292 520986635 /nfs/dbraw/zinc/98/66/35/520986635.db2.gz KHZGEDSKKGKNOA-UHFFFAOYSA-N 1 2 374.416 2.715 20 30 FFEDLO CC(C)Oc1cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc1Br ZINC000601967566 521046360 /nfs/dbraw/zinc/04/63/60/521046360.db2.gz HGLCYTNMOJYXFG-AWEZNQCLSA-N 1 2 370.291 2.855 20 30 FFEDLO CC(C)Oc1cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc1Br ZINC000601967566 521046370 /nfs/dbraw/zinc/04/63/70/521046370.db2.gz HGLCYTNMOJYXFG-AWEZNQCLSA-N 1 2 370.291 2.855 20 30 FFEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000593563140 521077748 /nfs/dbraw/zinc/07/77/48/521077748.db2.gz RWBPAJOFCXNJLE-MAUKXSAKSA-N 1 2 372.494 2.956 20 30 FFEDLO CC(C)C[C@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)n1cc[nH+]c1 ZINC000602032322 521090812 /nfs/dbraw/zinc/09/08/12/521090812.db2.gz HJQGSSDPWVUQMY-HXUWFJFHSA-N 1 2 365.481 2.686 20 30 FFEDLO N#CCC[C@H](NC(=O)N(CC[NH+]1CCOCC1)CC1CC1)c1ccccc1 ZINC000596503250 521102102 /nfs/dbraw/zinc/10/21/02/521102102.db2.gz JNRXQRNQCOTENN-FQEVSTJZSA-N 1 2 370.497 2.785 20 30 FFEDLO Cn1cc[nH+]c1[C@H](Cc1ccccc1)NS(=O)(=O)CC(C)(C)CC#N ZINC000593645491 521128720 /nfs/dbraw/zinc/12/87/20/521128720.db2.gz MNJADNLMNAIJNH-INIZCTEOSA-N 1 2 360.483 2.563 20 30 FFEDLO CCc1c[nH]c(CC(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)[nH+]1 ZINC000602098942 521142127 /nfs/dbraw/zinc/14/21/27/521142127.db2.gz YIWWVVLUCIJKIB-ZDUSSCGKSA-N 1 2 352.316 2.794 20 30 FFEDLO CC1(C)C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)[C@@H]2COC[C@H]2O1 ZINC000593696886 521162511 /nfs/dbraw/zinc/16/25/11/521162511.db2.gz IGLJGKHBIHDEIW-RTBURBONSA-N 1 2 366.465 2.842 20 30 FFEDLO CC1(C)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)[C@@H]2COC[C@H]2O1 ZINC000593696886 521162516 /nfs/dbraw/zinc/16/25/16/521162516.db2.gz IGLJGKHBIHDEIW-RTBURBONSA-N 1 2 366.465 2.842 20 30 FFEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC(Oc3cccc(C#N)c3)CC1)CC2 ZINC000599346377 521166941 /nfs/dbraw/zinc/16/69/41/521166941.db2.gz HABIRHCEWOBZOU-QGZVFWFLSA-N 1 2 364.449 2.696 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000599371666 521181171 /nfs/dbraw/zinc/18/11/71/521181171.db2.gz DUAPYAGTAPRRGK-LSDHHAIUSA-N 1 2 361.492 2.545 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000599371666 521181176 /nfs/dbraw/zinc/18/11/76/521181176.db2.gz DUAPYAGTAPRRGK-LSDHHAIUSA-N 1 2 361.492 2.545 20 30 FFEDLO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611550492 521213849 /nfs/dbraw/zinc/21/38/49/521213849.db2.gz FSGGHEMVDKPMIA-UXHICEINSA-N 1 2 372.488 2.799 20 30 FFEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000611551465 521216181 /nfs/dbraw/zinc/21/61/81/521216181.db2.gz QPHCUHOWYDVCDB-IBGZPJMESA-N 1 2 367.424 2.979 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCN3c3ccccc3)CC2)cc1 ZINC000618791578 521236623 /nfs/dbraw/zinc/23/66/23/521236623.db2.gz QFOSYBJZBLDHKL-QFIPXVFZSA-N 1 2 374.488 2.871 20 30 FFEDLO COc1ccc(C#N)cc1NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000596708103 521237402 /nfs/dbraw/zinc/23/74/02/521237402.db2.gz LEVQZZXCGVHLRG-UHFFFAOYSA-N 1 2 351.410 2.884 20 30 FFEDLO CCOC(=O)[C@H](CC(C)C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611800294 521339517 /nfs/dbraw/zinc/33/95/17/521339517.db2.gz VJEJZZRUQUKDRF-RBUKOAKNSA-N 1 2 361.461 2.986 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1)C1CC1 ZINC000599636624 521349934 /nfs/dbraw/zinc/34/99/34/521349934.db2.gz ZRFSQRCLYFXHKB-QGZVFWFLSA-N 1 2 351.372 2.872 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCc2cc(C(F)(F)F)ccc2C1)C1CC1 ZINC000599636624 521349940 /nfs/dbraw/zinc/34/99/40/521349940.db2.gz ZRFSQRCLYFXHKB-QGZVFWFLSA-N 1 2 351.372 2.872 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(S(N)(=O)=O)cc1F ZINC000602486575 521374016 /nfs/dbraw/zinc/37/40/16/521374016.db2.gz UWMHZHUWVRXDLW-MJGOQNOKSA-N 1 2 373.453 2.745 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(S(N)(=O)=O)cc1F ZINC000602486575 521374019 /nfs/dbraw/zinc/37/40/19/521374019.db2.gz UWMHZHUWVRXDLW-MJGOQNOKSA-N 1 2 373.453 2.745 20 30 FFEDLO CN(C(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000599676496 521392578 /nfs/dbraw/zinc/39/25/78/521392578.db2.gz DOMNSECWFRONTR-UHFFFAOYSA-N 1 2 364.405 2.682 20 30 FFEDLO CN(C(=O)C[N@H+]1CCc2c(CC#N)cccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000599676496 521392582 /nfs/dbraw/zinc/39/25/82/521392582.db2.gz DOMNSECWFRONTR-UHFFFAOYSA-N 1 2 364.405 2.682 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)N[C@H]1CCOc3ccccc31)C2 ZINC000599678771 521394809 /nfs/dbraw/zinc/39/48/09/521394809.db2.gz MKQVQECIWGMPHE-FQEVSTJZSA-N 1 2 361.445 2.751 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)N[C@H]1CCOc3ccccc31)C2 ZINC000599678771 521394817 /nfs/dbraw/zinc/39/48/17/521394817.db2.gz MKQVQECIWGMPHE-FQEVSTJZSA-N 1 2 361.445 2.751 20 30 FFEDLO CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000599702320 521414259 /nfs/dbraw/zinc/41/42/59/521414259.db2.gz LQVAMKBNEBNCFQ-LJQANCHMSA-N 1 2 370.497 2.541 20 30 FFEDLO CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000599702320 521414267 /nfs/dbraw/zinc/41/42/67/521414267.db2.gz LQVAMKBNEBNCFQ-LJQANCHMSA-N 1 2 370.497 2.541 20 30 FFEDLO CCOC(=O)c1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)on1 ZINC000602656028 521461339 /nfs/dbraw/zinc/46/13/39/521461339.db2.gz RCDMKBSQGGXEIX-UHFFFAOYSA-N 1 2 373.384 2.905 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@](C)(C#N)C3)c[nH+]2)C[C@@H](C)O1 ZINC000612108440 521484177 /nfs/dbraw/zinc/48/41/77/521484177.db2.gz LTQGDBUVFYFAIF-JXXFODFXSA-N 1 2 371.485 2.530 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC000594234197 521498288 /nfs/dbraw/zinc/49/82/88/521498288.db2.gz JADGCCHJWGQUFO-OAHLLOKOSA-N 1 2 366.465 2.686 20 30 FFEDLO COc1ccc(C[NH+]2CCN(CCC#N)CC2)c(OCc2cccnc2)c1 ZINC000602747886 521514468 /nfs/dbraw/zinc/51/44/68/521514468.db2.gz IAONAZXYHLWTGZ-UHFFFAOYSA-N 1 2 366.465 2.700 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(OC(F)(F)F)cc1 ZINC000597183016 521563143 /nfs/dbraw/zinc/56/31/43/521563143.db2.gz FAHAYOGNUQASHT-SWLSCSKDSA-N 1 2 364.327 2.725 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1cccc(CC#N)c1)c1ccccc1 ZINC000619474475 521587656 /nfs/dbraw/zinc/58/76/56/521587656.db2.gz QPYQYWLAKHPXGN-GOSISDBHSA-N 1 2 366.446 2.554 20 30 FFEDLO Cc1cc(C[NH+]2CCN(c3ccc(C(F)(F)F)c(C#N)n3)CC2)on1 ZINC000619694410 521827328 /nfs/dbraw/zinc/82/73/28/521827328.db2.gz KKRZIUKLFULJQK-UHFFFAOYSA-N 1 2 351.332 2.591 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(Cc3nc(C4CCC4)no3)CC2)nn1 ZINC000625999245 521840424 /nfs/dbraw/zinc/84/04/24/521840424.db2.gz LTKNPPVUPFCRGV-UHFFFAOYSA-N 1 2 356.474 2.959 20 30 FFEDLO CCC(CC)[C@@H](C(=O)NCc1ccc(C#N)c(Cl)c1)[NH+]1CCOCC1 ZINC000619781086 521869037 /nfs/dbraw/zinc/86/90/37/521869037.db2.gz SMCGYTVZKYDMEY-SFHVURJKSA-N 1 2 363.889 2.965 20 30 FFEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784694 521871007 /nfs/dbraw/zinc/87/10/07/521871007.db2.gz KQHPPLMFJPASNR-DNVCBOLYSA-N 1 2 374.916 2.970 20 30 FFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000620304198 522171902 /nfs/dbraw/zinc/17/19/02/522171902.db2.gz SJADGECUILQGRK-AXVVYFOYSA-N 1 2 370.497 2.819 20 30 FFEDLO C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000636486316 523013804 /nfs/dbraw/zinc/01/38/04/523013804.db2.gz KUCGVZINJVNFQU-QGZVFWFLSA-N 1 2 368.481 2.734 20 30 FFEDLO C=CC[C@@H]1CCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000628486924 523579164 /nfs/dbraw/zinc/57/91/64/523579164.db2.gz TWCBAPYEDBNELP-MRXNPFEDSA-N 1 2 352.438 2.950 20 30 FFEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000735421084 599610989 /nfs/dbraw/zinc/61/09/89/599610989.db2.gz XJZJWPBLBFQALN-UHFFFAOYSA-N 1 2 374.408 2.735 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC([NH2+]CCCN(C(=O)[O-])C3CC3)CC2)cc1 ZINC000833971564 606007960 /nfs/dbraw/zinc/00/79/60/606007960.db2.gz JYSMWLZMDUWRKT-UHFFFAOYSA-N 1 2 356.470 2.645 20 30 FFEDLO O=C(NCC(F)(C(F)(F)F)C(F)(F)F)c1cc(-n2cc[nH+]c2)ccn1 ZINC000899097527 735446500 /nfs/dbraw/zinc/44/65/00/735446500.db2.gz YQFOHACOPGIWFQ-UHFFFAOYSA-N 1 2 370.228 2.830 20 30 FFEDLO C#CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000746259759 735473270 /nfs/dbraw/zinc/47/32/70/735473270.db2.gz PAIVAGNKSBOQLC-OAHLLOKOSA-N 1 2 374.238 2.631 20 30 FFEDLO C#CC[NH+]1CCN(Cn2nc(Nc3cccc(C)c3)sc2=S)CC1 ZINC000044756447 727991536 /nfs/dbraw/zinc/99/15/36/727991536.db2.gz VILPWLYBUWWRJX-UHFFFAOYSA-N 1 2 359.524 2.934 20 30 FFEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000137649235 728740455 /nfs/dbraw/zinc/74/04/55/728740455.db2.gz PXTSQHXBBZWKNI-UHFFFAOYSA-N 1 2 352.316 2.570 20 30 FFEDLO C=CCSCCNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000176242705 729112603 /nfs/dbraw/zinc/11/26/03/729112603.db2.gz DVZQIQLNGRVAKZ-UHFFFAOYSA-N 1 2 362.543 2.940 20 30 FFEDLO C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1nnnn1C1CC1 ZINC000191469170 729417271 /nfs/dbraw/zinc/41/72/71/729417271.db2.gz VUPFNYLMKXWCKR-NSHDSACASA-N 1 2 351.332 2.609 20 30 FFEDLO CCN(CC)c1ccc(C=[NH+]NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000254743151 729626712 /nfs/dbraw/zinc/62/67/12/729626712.db2.gz PCWPVKINGCGEDG-UHFFFAOYSA-N 1 2 356.451 2.605 20 30 FFEDLO C#CCCC[NH2+][C@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000859620964 730461059 /nfs/dbraw/zinc/46/10/59/730461059.db2.gz MFYKBTNZBUIBAP-QGZVFWFLSA-N 1 2 350.256 2.853 20 30 FFEDLO C#CC[C@H](COC)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000860307354 730500254 /nfs/dbraw/zinc/50/02/54/730500254.db2.gz RKDGJPVGGSUFFN-ZIAGYGMSSA-N 1 2 350.488 2.535 20 30 FFEDLO C#CC[C@H](COC)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000860307354 730500257 /nfs/dbraw/zinc/50/02/57/730500257.db2.gz RKDGJPVGGSUFFN-ZIAGYGMSSA-N 1 2 350.488 2.535 20 30 FFEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000863306328 730766313 /nfs/dbraw/zinc/76/63/13/730766313.db2.gz CDHRCXQNPDGLDC-CJNGLKHVSA-N 1 2 361.467 2.534 20 30 FFEDLO C=CCSc1nc2ccccc2n1C[N@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000863306328 730766316 /nfs/dbraw/zinc/76/63/16/730766316.db2.gz CDHRCXQNPDGLDC-CJNGLKHVSA-N 1 2 361.467 2.534 20 30 FFEDLO CC[C@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1cccc(C#N)c1O ZINC000925518604 738512361 /nfs/dbraw/zinc/51/23/61/738512361.db2.gz ZBVCKPSOIMDPIY-KRWDZBQOSA-N 1 2 356.447 2.835 20 30 FFEDLO Nc1nc(Cl)c(C=[NH+]Nc2ccc(Cl)cc2)c(N2CCOCC2)n1 ZINC000873830196 731969978 /nfs/dbraw/zinc/96/99/78/731969978.db2.gz GKMMXQXXEGBNMS-UHFFFAOYSA-N 1 2 367.240 2.648 20 30 FFEDLO CN(C)c1ncnc(Cl)c1C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000879024378 732633278 /nfs/dbraw/zinc/63/32/78/732633278.db2.gz VOSMEOFJIMIZHZ-UHFFFAOYSA-N 1 2 356.861 2.842 20 30 FFEDLO C=C(Br)C[NH+]1CCC(N(CCO)C(=O)OC(C)(C)C)CC1 ZINC000879224350 732667966 /nfs/dbraw/zinc/66/79/66/732667966.db2.gz CGKZEOCSYMSVGU-UHFFFAOYSA-N 1 2 363.296 2.589 20 30 FFEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000667017201 732930795 /nfs/dbraw/zinc/93/07/95/732930795.db2.gz KZUJRAFODAUTSH-XJKSGUPXSA-N 1 2 364.515 2.784 20 30 FFEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000667017201 732930798 /nfs/dbraw/zinc/93/07/98/732930798.db2.gz KZUJRAFODAUTSH-XJKSGUPXSA-N 1 2 364.515 2.784 20 30 FFEDLO Cc1nc(C#N)cc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)n1 ZINC000882148731 733179664 /nfs/dbraw/zinc/17/96/64/733179664.db2.gz UJKFPWIZBPXYKK-SJLPKXTDSA-N 1 2 357.845 2.794 20 30 FFEDLO Cc1nc(C#N)cc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000882148731 733179667 /nfs/dbraw/zinc/17/96/67/733179667.db2.gz UJKFPWIZBPXYKK-SJLPKXTDSA-N 1 2 357.845 2.794 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000884076524 733476174 /nfs/dbraw/zinc/47/61/74/733476174.db2.gz GPBREGUWJJGNPZ-FZMZJTMJSA-N 1 2 358.360 2.671 20 30 FFEDLO C=CCC1(O)CC[NH+](CC(=O)N(Cc2ccco2)CC(F)(F)F)CC1 ZINC000886755942 733825890 /nfs/dbraw/zinc/82/58/90/733825890.db2.gz XAPVIWBBDICGDJ-UHFFFAOYSA-N 1 2 360.376 2.574 20 30 FFEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000886768454 733829424 /nfs/dbraw/zinc/82/94/24/733829424.db2.gz AWKWBROTJLOGRU-UHFFFAOYSA-N 1 2 353.806 2.590 20 30 FFEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2cc(C)c(Cl)cc2OC)CC1 ZINC000886769072 733829442 /nfs/dbraw/zinc/82/94/42/733829442.db2.gz OJCYIBVNDUFKCV-UHFFFAOYSA-N 1 2 352.862 2.999 20 30 FFEDLO C[C@@H]1CCN(C(=O)Nc2nc(Cl)c(C#N)s2)C[C@@H]1n1cc[nH+]c1 ZINC000888414187 734051843 /nfs/dbraw/zinc/05/18/43/734051843.db2.gz PBDNLHLIOHAWCY-ZJUUUORDSA-N 1 2 350.835 2.980 20 30 FFEDLO CN(C)c1ccc(C=[NH+]NC(=S)NCCc2cccs2)cc1F ZINC000727650876 734493385 /nfs/dbraw/zinc/49/33/85/734493385.db2.gz BCTXQDLXLKULDS-UHFFFAOYSA-N 1 2 350.488 2.994 20 30 FFEDLO CCN(CC)c1ccc(C=[NH+]NC(=S)NC[C@@H]2CCCO2)cc1F ZINC000739402066 735050735 /nfs/dbraw/zinc/05/07/35/735050735.db2.gz ZOEMFHDKIKONNX-AWEZNQCLSA-N 1 2 352.479 2.649 20 30 FFEDLO C[C@@H](O[NH+]=C(N)c1ccc(F)cc1)C(=O)N1CCSc2ccccc21 ZINC000749787304 735747772 /nfs/dbraw/zinc/74/77/72/735747772.db2.gz JSMKUCVTHTZXGS-GFCCVEGCSA-N 1 2 359.426 2.990 20 30 FFEDLO C#CCCNC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000765701728 737145978 /nfs/dbraw/zinc/14/59/78/737145978.db2.gz IDEHNEVFBYLQAU-UHFFFAOYSA-N 1 2 354.281 2.886 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2nn(-c3ccccc3Cl)cc2C)CC1 ZINC000766371917 737223688 /nfs/dbraw/zinc/22/36/88/737223688.db2.gz TXQAXBQWRIPHQW-UHFFFAOYSA-N 1 2 356.857 2.615 20 30 FFEDLO C=CCNc1ncc(C(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)s1 ZINC000771026136 737685880 /nfs/dbraw/zinc/68/58/80/737685880.db2.gz UKBGPGRXLUFXBJ-CQSZACIVSA-N 1 2 364.515 2.504 20 30 FFEDLO CCN(CCO)c1ccc(C=[NH+]NC(=S)Nc2cccnc2)c(C)c1 ZINC000916299086 737694253 /nfs/dbraw/zinc/69/42/53/737694253.db2.gz BERDRYASCYWRQV-UHFFFAOYSA-N 1 2 357.483 2.529 20 30 FFEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3cccc(NS(C)(=O)=O)c3)n2c1 ZINC000771858159 737761984 /nfs/dbraw/zinc/76/19/84/737761984.db2.gz GURQTQCKQWFDDG-FPLPWBNLSA-N 1 2 355.419 2.910 20 30 FFEDLO NC(=[NH+]OCCCS(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000920400202 737905231 /nfs/dbraw/zinc/90/52/31/737905231.db2.gz FDFPMXKFNCPIMP-UHFFFAOYSA-N 1 2 370.833 2.980 20 30 FFEDLO C#C[C@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)[C@H]1CCCO1 ZINC000775350744 738085888 /nfs/dbraw/zinc/08/58/88/738085888.db2.gz QMAJSCRMECWHGQ-GOEBONIOSA-N 1 2 351.237 2.845 20 30 FFEDLO C#CCOc1ccccc1C[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000775635234 738108027 /nfs/dbraw/zinc/10/80/27/738108027.db2.gz ZFSHEVMOZMUIQI-KRWDZBQOSA-N 1 2 359.422 2.846 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000776129747 738164134 /nfs/dbraw/zinc/16/41/34/738164134.db2.gz VFFBLSWNMYOCTE-GUYCJALGSA-N 1 2 353.413 2.602 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@H+]1CCO[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000776129747 738164137 /nfs/dbraw/zinc/16/41/37/738164137.db2.gz VFFBLSWNMYOCTE-GUYCJALGSA-N 1 2 353.413 2.602 20 30 FFEDLO C#CCOCCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000784549717 738902857 /nfs/dbraw/zinc/90/28/57/738902857.db2.gz QGWQVIQQMMLAFY-INIZCTEOSA-N 1 2 367.852 2.565 20 30 FFEDLO N#CC[C@H](NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)C(F)(F)F ZINC000928801184 738910632 /nfs/dbraw/zinc/91/06/32/738910632.db2.gz UOURNBAZCJIACD-AWEZNQCLSA-N 1 2 351.332 2.570 20 30 FFEDLO CC[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000929515193 738994488 /nfs/dbraw/zinc/99/44/88/738994488.db2.gz ABBORZZIDAPCBC-IAGOWNOFSA-N 1 2 366.303 2.792 20 30 FFEDLO NC(=[NH+]OCCCNC(=O)C1CCCC1)c1ccc(Br)cc1 ZINC000790506069 739462659 /nfs/dbraw/zinc/46/26/59/739462659.db2.gz BDNCEVUBUFAQLF-UHFFFAOYSA-N 1 2 368.275 2.783 20 30 FFEDLO N#CC[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C(F)(F)F ZINC000932926488 739539769 /nfs/dbraw/zinc/53/97/69/739539769.db2.gz JIXXUDLPIUSJOT-CYBMUJFWSA-N 1 2 355.364 2.716 20 30 FFEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933053454 739564307 /nfs/dbraw/zinc/56/43/07/739564307.db2.gz ALWSUPYEFLLOMP-INIZCTEOSA-N 1 2 365.271 2.827 20 30 FFEDLO C=C(C)C[N@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795444630 740023902 /nfs/dbraw/zinc/02/39/02/740023902.db2.gz NHFUTQGLSIJNCL-UHFFFAOYSA-N 1 2 354.204 2.779 20 30 FFEDLO C=C(C)C[N@@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795444630 740023908 /nfs/dbraw/zinc/02/39/08/740023908.db2.gz NHFUTQGLSIJNCL-UHFFFAOYSA-N 1 2 354.204 2.779 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C(C)(C)C1 ZINC000941049927 740196002 /nfs/dbraw/zinc/19/60/02/740196002.db2.gz KBWZYNYUBBEPNT-KBXIAJHMSA-N 1 2 371.319 2.679 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C(C)(C)C1 ZINC000941049927 740196004 /nfs/dbraw/zinc/19/60/04/740196004.db2.gz KBWZYNYUBBEPNT-KBXIAJHMSA-N 1 2 371.319 2.679 20 30 FFEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)NCCC#N)ccc1Br ZINC000797523873 740253755 /nfs/dbraw/zinc/25/37/55/740253755.db2.gz XURPAGKTDXAXNG-HNNXBMFYSA-N 1 2 350.260 2.924 20 30 FFEDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)NCCC#N)ccc1Br ZINC000797523873 740253757 /nfs/dbraw/zinc/25/37/57/740253757.db2.gz XURPAGKTDXAXNG-HNNXBMFYSA-N 1 2 350.260 2.924 20 30 FFEDLO C=C(Br)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC000969030801 740727845 /nfs/dbraw/zinc/72/78/45/740727845.db2.gz NEQNIDGYRRETPE-YUELXQCFSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC000969030801 740727848 /nfs/dbraw/zinc/72/78/48/740727848.db2.gz NEQNIDGYRRETPE-YUELXQCFSA-N 1 2 359.308 2.681 20 30 FFEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)C2)C1 ZINC000972421425 740829678 /nfs/dbraw/zinc/82/96/78/740829678.db2.gz GXAMBFIZJLVOHX-INMHGKMJSA-N 1 2 360.420 2.844 20 30 FFEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)C2)C1 ZINC000972421425 740829683 /nfs/dbraw/zinc/82/96/83/740829683.db2.gz GXAMBFIZJLVOHX-INMHGKMJSA-N 1 2 360.420 2.844 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)cs2)C1 ZINC000972507644 740832491 /nfs/dbraw/zinc/83/24/91/740832491.db2.gz ATGBOYJKPMQRKR-RYRKJORJSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)cs2)C1 ZINC000972507644 740832493 /nfs/dbraw/zinc/83/24/93/740832493.db2.gz ATGBOYJKPMQRKR-RYRKJORJSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)c(C)s2)C1 ZINC000972521978 740833640 /nfs/dbraw/zinc/83/36/40/740833640.db2.gz CMGCCSUKPVUCLH-RYRKJORJSA-N 1 2 363.527 2.774 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)c(C)s2)C1 ZINC000972521978 740833644 /nfs/dbraw/zinc/83/36/44/740833644.db2.gz CMGCCSUKPVUCLH-RYRKJORJSA-N 1 2 363.527 2.774 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccncc2Cl)C1 ZINC000972529003 740834323 /nfs/dbraw/zinc/83/43/23/740834323.db2.gz FSWBPCHPNXZYSV-RYRKJORJSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccncc2Cl)C1 ZINC000972529003 740834331 /nfs/dbraw/zinc/83/43/31/740834331.db2.gz FSWBPCHPNXZYSV-RYRKJORJSA-N 1 2 363.889 2.749 20 30 FFEDLO C#C[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000812183656 741593529 /nfs/dbraw/zinc/59/35/29/741593529.db2.gz GJOYSGXQMJDPMD-OKZBNKHCSA-N 1 2 363.889 2.669 20 30 FFEDLO C#C[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000812183656 741593531 /nfs/dbraw/zinc/59/35/31/741593531.db2.gz GJOYSGXQMJDPMD-OKZBNKHCSA-N 1 2 363.889 2.669 20 30 FFEDLO CS(=O)(=O)N(Cc1ccccc1)N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000814237806 741805857 /nfs/dbraw/zinc/80/58/57/741805857.db2.gz YWPOPXRXSBRRRK-UHFFFAOYSA-N 1 2 360.464 2.730 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000815631223 741948993 /nfs/dbraw/zinc/94/89/93/741948993.db2.gz SXNNNVJSSZUTEW-KBMXLJTQSA-N 1 2 365.861 2.722 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC001003650461 742210975 /nfs/dbraw/zinc/21/09/75/742210975.db2.gz WBASFEWHNNQZNJ-KDOFPFPSSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001008558150 742380686 /nfs/dbraw/zinc/38/06/86/742380686.db2.gz HPPVUVOVEBOCCB-RKVPGOIHSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001008558150 742380692 /nfs/dbraw/zinc/38/06/92/742380692.db2.gz HPPVUVOVEBOCCB-RKVPGOIHSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001014460180 742467600 /nfs/dbraw/zinc/46/76/00/742467600.db2.gz MNJQYEMSNIPRAR-JZXOWHBKSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC001014460180 742467604 /nfs/dbraw/zinc/46/76/04/742467604.db2.gz MNJQYEMSNIPRAR-JZXOWHBKSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001015722125 742479140 /nfs/dbraw/zinc/47/91/40/742479140.db2.gz TUUVSSGZPWNSRC-LZWOXQAQSA-N 1 2 352.837 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001015722125 742479143 /nfs/dbraw/zinc/47/91/43/742479143.db2.gz TUUVSSGZPWNSRC-LZWOXQAQSA-N 1 2 352.837 2.761 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1nc(C)cs1 ZINC001024441437 742726068 /nfs/dbraw/zinc/72/60/68/742726068.db2.gz CZYMQQVYOFRDJV-BBWFWOEESA-N 1 2 363.527 2.903 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nc(C)cs1 ZINC001024441437 742726071 /nfs/dbraw/zinc/72/60/71/742726071.db2.gz CZYMQQVYOFRDJV-BBWFWOEESA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001027493260 742772079 /nfs/dbraw/zinc/77/20/79/742772079.db2.gz AWIXNWYILXYQOU-YHUYYLMFSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001027493260 742772081 /nfs/dbraw/zinc/77/20/81/742772081.db2.gz AWIXNWYILXYQOU-YHUYYLMFSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(Cl)c2)C1 ZINC001031987510 742853908 /nfs/dbraw/zinc/85/39/08/742853908.db2.gz QVBVGTPNQQLPJH-PBHICJAKSA-N 1 2 352.837 2.618 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC001033432046 742886619 /nfs/dbraw/zinc/88/66/19/742886619.db2.gz KOCWONLXTICPMX-JZXOWHBKSA-N 1 2 350.409 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001033432046 742886628 /nfs/dbraw/zinc/88/66/28/742886628.db2.gz KOCWONLXTICPMX-JZXOWHBKSA-N 1 2 350.409 2.589 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2ccncc2)s1 ZINC001038273896 742965851 /nfs/dbraw/zinc/96/58/51/742965851.db2.gz QURVQCLFEPQACC-FHLIZLRMSA-N 1 2 352.463 2.509 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2ccncc2)s1 ZINC001038273896 742965855 /nfs/dbraw/zinc/96/58/55/742965855.db2.gz QURVQCLFEPQACC-FHLIZLRMSA-N 1 2 352.463 2.509 20 30 FFEDLO CN(CCC#N)c1ccc(C[NH2+]Cc2nn(C)cc2Br)cc1 ZINC000824780298 743147193 /nfs/dbraw/zinc/14/71/93/743147193.db2.gz JVDRLMVDVSEKEU-UHFFFAOYSA-N 1 2 362.275 2.822 20 30 FFEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000839618858 746873767 /nfs/dbraw/zinc/87/37/67/746873767.db2.gz KITUIXSKWSHGAA-FXAWDEMLSA-N 1 2 354.475 2.678 20 30 FFEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000839618858 746873774 /nfs/dbraw/zinc/87/37/74/746873774.db2.gz KITUIXSKWSHGAA-FXAWDEMLSA-N 1 2 354.475 2.678 20 30 FFEDLO Cc1ccc(C)c(N=C2NC(=O)/C(=C/c3c[nH+]c(N(C)C)n3C)S2)c1 ZINC000840714213 747164615 /nfs/dbraw/zinc/16/46/15/747164615.db2.gz DSLKWTRMBBXFET-DHDCSXOGSA-N 1 2 355.467 2.995 20 30 FFEDLO Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2c[nH+]c(N(C)C)n2C)S1 ZINC000840716519 747165397 /nfs/dbraw/zinc/16/53/97/747165397.db2.gz XRAVISDJJSWJAB-NTEUORMPSA-N 1 2 355.467 2.995 20 30 FFEDLO C=CC[N@H+](CN1Cc2cccc(Br)c2C1=O)[C@@H](C)COC ZINC000853533945 750085695 /nfs/dbraw/zinc/08/56/95/750085695.db2.gz FGIVJLBFMPENNU-LBPRGKRZSA-N 1 2 353.260 2.885 20 30 FFEDLO C=CC[N@@H+](CN1Cc2cccc(Br)c2C1=O)[C@@H](C)COC ZINC000853533945 750085698 /nfs/dbraw/zinc/08/56/98/750085698.db2.gz FGIVJLBFMPENNU-LBPRGKRZSA-N 1 2 353.260 2.885 20 30 FFEDLO CC(C)(C)OC(=O)N1CCO[C@H](CO[NH+]=C(N)c2ccc(Cl)cc2)C1 ZINC000853646794 750125699 /nfs/dbraw/zinc/12/56/99/750125699.db2.gz ZZEPVUPJQVVZLI-AWEZNQCLSA-N 1 2 369.849 2.613 20 30 FFEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1nc(Cc2ccccc2F)no1 ZINC000895798923 970965499 /nfs/dbraw/zinc/96/54/99/970965499.db2.gz LJTYJNFKIVKZFR-CQSZACIVSA-N 1 2 358.417 2.988 20 30 FFEDLO CSCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001205902940 1032058585 /nfs/dbraw/zinc/05/85/85/1032058585.db2.gz WFRSQZKKEZMVEZ-RHSMWYFYSA-N 1 2 350.915 2.881 20 30 FFEDLO CSCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001205902940 1032058599 /nfs/dbraw/zinc/05/85/99/1032058599.db2.gz WFRSQZKKEZMVEZ-RHSMWYFYSA-N 1 2 350.915 2.881 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3ccnc3CC)C[C@@H]2C1 ZINC001087971869 971410161 /nfs/dbraw/zinc/41/01/61/971410161.db2.gz XPZBPRKRVRQQDW-BBWFWOEESA-N 1 2 364.921 2.929 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3ccnc3CC)C[C@@H]2C1 ZINC001087971869 971410165 /nfs/dbraw/zinc/41/01/65/971410165.db2.gz XPZBPRKRVRQQDW-BBWFWOEESA-N 1 2 364.921 2.929 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)N(Cc2ccccc2)C2CC2)cc1 ZINC000054231033 971568735 /nfs/dbraw/zinc/56/87/35/971568735.db2.gz ACUIMHXVJVYYGC-UHFFFAOYSA-N 1 2 353.422 2.523 20 30 FFEDLO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141902875 971622060 /nfs/dbraw/zinc/62/20/60/971622060.db2.gz HGVBHIMDMZZTHR-FZMZJTMJSA-N 1 2 351.244 2.952 20 30 FFEDLO COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141902875 971622065 /nfs/dbraw/zinc/62/20/65/971622065.db2.gz HGVBHIMDMZZTHR-FZMZJTMJSA-N 1 2 351.244 2.952 20 30 FFEDLO COc1cccc([C@@H]([NH2+]CC(=O)NCCC#N)c2cc(F)ccc2OC)c1 ZINC000759778348 971641044 /nfs/dbraw/zinc/64/10/44/971641044.db2.gz WIGNPTUJMGVIDC-HXUWFJFHSA-N 1 2 371.412 2.552 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cncc(F)c2)CC1(C)C ZINC000974587818 972025704 /nfs/dbraw/zinc/02/57/04/972025704.db2.gz MVRCLASCLRRVPL-FGTMMUONSA-N 1 2 361.461 2.529 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cncc(F)c2)CC1(C)C ZINC000974587818 972025709 /nfs/dbraw/zinc/02/57/09/972025709.db2.gz MVRCLASCLRRVPL-FGTMMUONSA-N 1 2 361.461 2.529 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)oc2C)CC1(C)C ZINC000974586246 972032426 /nfs/dbraw/zinc/03/24/26/972032426.db2.gz CUKHQKJAERQYHR-BPQIPLTHSA-N 1 2 361.486 2.599 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2nc(C)oc2C)CC1(C)C ZINC000974586246 972032435 /nfs/dbraw/zinc/03/24/35/972032435.db2.gz CUKHQKJAERQYHR-BPQIPLTHSA-N 1 2 361.486 2.599 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cn2)C1 ZINC001008792854 972320801 /nfs/dbraw/zinc/32/08/01/972320801.db2.gz GSAZRGCEBXEMPU-FHWLQOOXSA-N 1 2 361.461 2.673 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001008792854 972320804 /nfs/dbraw/zinc/32/08/04/972320804.db2.gz GSAZRGCEBXEMPU-FHWLQOOXSA-N 1 2 361.461 2.673 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCN(C(=O)c4cc5c[nH+]ccc5[nH]4)C[C@H]32)C1 ZINC000975056486 972329597 /nfs/dbraw/zinc/32/95/97/972329597.db2.gz YYPLYLBIAWISQZ-RDTXWAMCSA-N 1 2 364.449 2.592 20 30 FFEDLO CC(C)(C)OC(=O)NCc1cccc(C=NNCCCn2cc[nH+]c2)c1 ZINC000872387575 1013213342 /nfs/dbraw/zinc/21/33/42/1013213342.db2.gz PDJSEZVYXKJUAX-UHFFFAOYSA-N 1 2 357.458 2.922 20 30 FFEDLO CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(C#N)ccc1F)C2 ZINC001275944834 1013216199 /nfs/dbraw/zinc/21/61/99/1013216199.db2.gz BMPWJSBJNFROOA-YWZLYKJASA-N 1 2 359.445 2.547 20 30 FFEDLO CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(C#N)ccc1F)C2 ZINC001275944834 1013216211 /nfs/dbraw/zinc/21/62/11/1013216211.db2.gz BMPWJSBJNFROOA-YWZLYKJASA-N 1 2 359.445 2.547 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](CN3CCC4(CCC4)C3=O)CC2)c(F)c1 ZINC000872612095 1013237729 /nfs/dbraw/zinc/23/77/29/1013237729.db2.gz NNKGEAQYBDIYQQ-UHFFFAOYSA-N 1 2 357.429 2.901 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000684003597 963016045 /nfs/dbraw/zinc/01/60/45/963016045.db2.gz WDUJJSSRMTWQPU-CQSZACIVSA-N 1 2 357.429 2.671 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(C2CCCC2)no1 ZINC001087136096 963105770 /nfs/dbraw/zinc/10/57/70/963105770.db2.gz KOSDTSQEFIXBBQ-FMKPAKJESA-N 1 2 359.474 2.604 20 30 FFEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1c(F)ccc(F)c1Cl)CC2 ZINC001276072867 1013406168 /nfs/dbraw/zinc/40/61/68/1013406168.db2.gz SXMUWKXZXBFVCO-CYBMUJFWSA-N 1 2 352.812 2.970 20 30 FFEDLO COc1c(F)cc(C[N@@H+]2CCC[C@]23CCN(CCCC#N)C3=O)cc1F ZINC001276123965 1013486966 /nfs/dbraw/zinc/48/69/66/1013486966.db2.gz FNBDZBFPDWQWRR-LJQANCHMSA-N 1 2 363.408 2.844 20 30 FFEDLO COc1c(F)cc(C[N@H+]2CCC[C@]23CCN(CCCC#N)C3=O)cc1F ZINC001276123965 1013486967 /nfs/dbraw/zinc/48/69/67/1013486967.db2.gz FNBDZBFPDWQWRR-LJQANCHMSA-N 1 2 363.408 2.844 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2c(C)onc2CC)C1 ZINC001087469001 965284640 /nfs/dbraw/zinc/28/46/40/965284640.db2.gz CTSDUGATDOWVGA-IEBWSBKVSA-N 1 2 369.440 2.906 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2c(C)onc2CC)C1 ZINC001087469001 965284650 /nfs/dbraw/zinc/28/46/50/965284650.db2.gz CTSDUGATDOWVGA-IEBWSBKVSA-N 1 2 369.440 2.906 20 30 FFEDLO C[NH+]=C(NCC1([NH+](C)C)CCCCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262014104 965315953 /nfs/dbraw/zinc/31/59/53/965315953.db2.gz XIWGVNUNGXWEPI-ROUUACIJSA-N 1 2 360.550 2.606 20 30 FFEDLO Cc1cnccc1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001075765451 965676962 /nfs/dbraw/zinc/67/69/62/965676962.db2.gz RHUJDNLOPWWRJT-OXJNMPFZSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cnccc1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001075765451 965676968 /nfs/dbraw/zinc/67/69/68/965676968.db2.gz RHUJDNLOPWWRJT-OXJNMPFZSA-N 1 2 364.424 2.747 20 30 FFEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001075771362 966061484 /nfs/dbraw/zinc/06/14/84/966061484.db2.gz XXULENSPFQUNAU-HYVNUMGLSA-N 1 2 355.482 2.979 20 30 FFEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001075771362 966061496 /nfs/dbraw/zinc/06/14/96/966061496.db2.gz XXULENSPFQUNAU-HYVNUMGLSA-N 1 2 355.482 2.979 20 30 FFEDLO COC1(CC(=O)N2CCC3(C[NH+](Cc4ccccc4C#N)C3)C2)CCC1 ZINC001279232434 966487223 /nfs/dbraw/zinc/48/72/23/966487223.db2.gz CECUOCJHXYHAKX-UHFFFAOYSA-N 1 2 353.466 2.552 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001211551174 966687131 /nfs/dbraw/zinc/68/71/31/966687131.db2.gz AVRJBTYBMPIBGA-ZWKOTPCHSA-N 1 2 366.465 2.997 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](c4ccccc4)C3(C)C)C2)C1 ZINC000972386282 966903314 /nfs/dbraw/zinc/90/33/14/966903314.db2.gz BGJYGYANFDKGRU-QTEQDKRBSA-N 1 2 366.505 2.753 20 30 FFEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](c4ccccc4)C3(C)C)C2)C1 ZINC000972386282 966903316 /nfs/dbraw/zinc/90/33/16/966903316.db2.gz BGJYGYANFDKGRU-QTEQDKRBSA-N 1 2 366.505 2.753 20 30 FFEDLO Cc1cc(C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)ccc1Cl ZINC001270831343 967044074 /nfs/dbraw/zinc/04/40/74/967044074.db2.gz LJYREMSXEFTIMG-UHFFFAOYSA-N 1 2 368.868 2.817 20 30 FFEDLO C=C(C)C(=O)NCCCNc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001167667407 967412037 /nfs/dbraw/zinc/41/20/37/967412037.db2.gz JXMPKEQULLXAEH-VEHHCUEHSA-N 1 2 364.515 2.765 20 30 FFEDLO CC[C@@H](CO)Nc1cc(N2CCC(Oc3cccc(C#N)c3)CC2)nc[nH+]1 ZINC000892333088 967420051 /nfs/dbraw/zinc/42/00/51/967420051.db2.gz GBAPHJZDSJENNV-INIZCTEOSA-N 1 2 367.453 2.579 20 30 FFEDLO CC[C@@H](CO)Nc1cc(N2CCC(Oc3cccc(C#N)c3)CC2)[nH+]cn1 ZINC000892333088 967420058 /nfs/dbraw/zinc/42/00/58/967420058.db2.gz GBAPHJZDSJENNV-INIZCTEOSA-N 1 2 367.453 2.579 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC000972523886 967590095 /nfs/dbraw/zinc/59/00/95/967590095.db2.gz ZMZXEUDMCHJDCU-SQNIBIBYSA-N 1 2 359.470 2.566 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC000972523886 967590106 /nfs/dbraw/zinc/59/01/06/967590106.db2.gz ZMZXEUDMCHJDCU-SQNIBIBYSA-N 1 2 359.470 2.566 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC3(CNC(=O)C3)CC1)C2 ZINC000329772015 968013052 /nfs/dbraw/zinc/01/30/52/968013052.db2.gz KFZHDJDVKICFAI-AWEZNQCLSA-N 1 2 373.501 2.852 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1cnc(Cl)s1 ZINC001087548734 968045022 /nfs/dbraw/zinc/04/50/22/968045022.db2.gz LLQWYHGTOYFLAR-UONOGXRCSA-N 1 2 363.874 2.779 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1cnc(Cl)s1 ZINC001087548734 968045032 /nfs/dbraw/zinc/04/50/32/968045032.db2.gz LLQWYHGTOYFLAR-UONOGXRCSA-N 1 2 363.874 2.779 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2n[nH]c3c2CCCC3)[C@H]1CC ZINC001087572304 968209707 /nfs/dbraw/zinc/20/97/07/968209707.db2.gz LVMPGUPSRJIDRN-DOTOQJQBSA-N 1 2 350.894 2.553 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2n[nH]c3c2CCCC3)[C@H]1CC ZINC001087572304 968209716 /nfs/dbraw/zinc/20/97/16/968209716.db2.gz LVMPGUPSRJIDRN-DOTOQJQBSA-N 1 2 350.894 2.553 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(C)CCOCC2)[C@H]1CC ZINC001087763419 968934150 /nfs/dbraw/zinc/93/41/50/968934150.db2.gz RJEIAEGWZALEMP-UONOGXRCSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCOCC2)[C@H]1CC ZINC001087763419 968934157 /nfs/dbraw/zinc/93/41/57/968934157.db2.gz RJEIAEGWZALEMP-UONOGXRCSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2c[nH]cn2)[C@H]1CC ZINC001087797460 969105938 /nfs/dbraw/zinc/10/59/38/969105938.db2.gz PKPVYLUWBSUCHF-QWHCGFSZSA-N 1 2 369.307 2.565 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2c[nH]cn2)[C@H]1CC ZINC001087797460 969105943 /nfs/dbraw/zinc/10/59/43/969105943.db2.gz PKPVYLUWBSUCHF-QWHCGFSZSA-N 1 2 369.307 2.565 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4ncnn4C(C)C)CC[C@@H]3C2)CC1 ZINC001088093133 972712692 /nfs/dbraw/zinc/71/26/92/972712692.db2.gz KJJQDYKPYWMXLJ-MOPGFXCFSA-N 1 2 371.529 2.886 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4ncnn4C(C)C)CC[C@@H]3C2)CC1 ZINC001088093133 972712709 /nfs/dbraw/zinc/71/27/09/972712709.db2.gz KJJQDYKPYWMXLJ-MOPGFXCFSA-N 1 2 371.529 2.886 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC000960996535 1014118797 /nfs/dbraw/zinc/11/87/97/1014118797.db2.gz UNVBXFWXHZTCJV-FQBWVUSXSA-N 1 2 355.457 2.926 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC000960996535 1014118800 /nfs/dbraw/zinc/11/88/00/1014118800.db2.gz UNVBXFWXHZTCJV-FQBWVUSXSA-N 1 2 355.457 2.926 20 30 FFEDLO N#Cc1csc(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000897277924 973833160 /nfs/dbraw/zinc/83/31/60/973833160.db2.gz NWTZHOBBDQYRRN-UHFFFAOYSA-N 1 2 370.482 2.637 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)c1C ZINC000876283888 1014211170 /nfs/dbraw/zinc/21/11/70/1014211170.db2.gz HPGUQXFKUZQPNR-SFHVURJKSA-N 1 2 364.449 2.888 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC001087428326 975626560 /nfs/dbraw/zinc/62/65/60/975626560.db2.gz ZBOVACRLCXYVMZ-IAGOWNOFSA-N 1 2 369.490 2.763 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC001087428326 975626567 /nfs/dbraw/zinc/62/65/67/975626567.db2.gz ZBOVACRLCXYVMZ-IAGOWNOFSA-N 1 2 369.490 2.763 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ncc(C(C)C)o1 ZINC001027888559 975686694 /nfs/dbraw/zinc/68/66/94/975686694.db2.gz TWPSDIGLMDNDFD-ZACQAIPSSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ncc(C(C)C)o1 ZINC001027888559 975686704 /nfs/dbraw/zinc/68/67/04/975686704.db2.gz TWPSDIGLMDNDFD-ZACQAIPSSA-N 1 2 361.486 2.860 20 30 FFEDLO COc1ccc(OC)c2c1C[N@H+](Cc1cc(C#N)ccc1N(C)C)C[C@@H]2O ZINC000876551507 1014299301 /nfs/dbraw/zinc/29/93/01/1014299301.db2.gz VJMINVZHZQIVLS-SFHVURJKSA-N 1 2 367.449 2.691 20 30 FFEDLO COc1ccc(OC)c2c1C[N@@H+](Cc1cc(C#N)ccc1N(C)C)C[C@@H]2O ZINC000876551507 1014299308 /nfs/dbraw/zinc/29/93/08/1014299308.db2.gz VJMINVZHZQIVLS-SFHVURJKSA-N 1 2 367.449 2.691 20 30 FFEDLO CCCc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)s1 ZINC001083495076 976300181 /nfs/dbraw/zinc/30/01/81/976300181.db2.gz GWOGKAMCPKFEBE-MSOLQXFVSA-N 1 2 369.490 2.547 20 30 FFEDLO CCCc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)s1 ZINC001083495076 976300192 /nfs/dbraw/zinc/30/01/92/976300192.db2.gz GWOGKAMCPKFEBE-MSOLQXFVSA-N 1 2 369.490 2.547 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CCC[N@@H+](CCF)C3)cc2)nc1 ZINC000898496778 976499022 /nfs/dbraw/zinc/49/90/22/976499022.db2.gz ZAYWFCCMXHPBJP-QGZVFWFLSA-N 1 2 368.412 2.909 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CCC[N@H+](CCF)C3)cc2)nc1 ZINC000898496778 976499026 /nfs/dbraw/zinc/49/90/26/976499026.db2.gz ZAYWFCCMXHPBJP-QGZVFWFLSA-N 1 2 368.412 2.909 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)c1 ZINC000981603472 976642088 /nfs/dbraw/zinc/64/20/88/976642088.db2.gz HJEBAPJKMKHRBF-CTNGQTDRSA-N 1 2 371.456 2.691 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)c1 ZINC000981603472 976642098 /nfs/dbraw/zinc/64/20/98/976642098.db2.gz HJEBAPJKMKHRBF-CTNGQTDRSA-N 1 2 371.456 2.691 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)cc1F ZINC000981641925 976678630 /nfs/dbraw/zinc/67/86/30/976678630.db2.gz WARJSFRPCPGZTH-CMKODMSKSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)cc1F ZINC000981641925 976678632 /nfs/dbraw/zinc/67/86/32/976678632.db2.gz WARJSFRPCPGZTH-CMKODMSKSA-N 1 2 371.456 2.547 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccco2)on1 ZINC001028145921 976885850 /nfs/dbraw/zinc/88/58/50/976885850.db2.gz ZKQBVNDDXPSRGW-BBWFWOEESA-N 1 2 371.437 2.606 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(-c2ccco2)on1 ZINC001028145921 976885860 /nfs/dbraw/zinc/88/58/60/976885860.db2.gz ZKQBVNDDXPSRGW-BBWFWOEESA-N 1 2 371.437 2.606 20 30 FFEDLO Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001075615983 977314455 /nfs/dbraw/zinc/31/44/55/977314455.db2.gz FYBBQXKJVRNGSW-DUVNUKRYSA-N 1 2 370.478 2.904 20 30 FFEDLO Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001075615983 977314462 /nfs/dbraw/zinc/31/44/62/977314462.db2.gz FYBBQXKJVRNGSW-DUVNUKRYSA-N 1 2 370.478 2.904 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)nn1 ZINC000653596748 1014388789 /nfs/dbraw/zinc/38/87/89/1014388789.db2.gz KFLCGLGKJMEFQE-HNNXBMFYSA-N 1 2 367.375 2.921 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)nn1 ZINC000653596748 1014388801 /nfs/dbraw/zinc/38/88/01/1014388801.db2.gz KFLCGLGKJMEFQE-HNNXBMFYSA-N 1 2 367.375 2.921 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2c(C)onc2CC)C1 ZINC001087459950 977996445 /nfs/dbraw/zinc/99/64/45/977996445.db2.gz HERALHBBKYBFDS-IEBWSBKVSA-N 1 2 369.440 2.906 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2c(C)onc2CC)C1 ZINC001087459950 977996453 /nfs/dbraw/zinc/99/64/53/977996453.db2.gz HERALHBBKYBFDS-IEBWSBKVSA-N 1 2 369.440 2.906 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2c(C)noc2C)C1 ZINC001087462458 978105439 /nfs/dbraw/zinc/10/54/39/978105439.db2.gz KOSURNPNXDFZIP-QZTJIDSGSA-N 1 2 355.413 2.652 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2c(C)noc2C)C1 ZINC001087462458 978105442 /nfs/dbraw/zinc/10/54/42/978105442.db2.gz KOSURNPNXDFZIP-QZTJIDSGSA-N 1 2 355.413 2.652 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001088463149 979710519 /nfs/dbraw/zinc/71/05/19/979710519.db2.gz GKJLUDOOOYCHIZ-PXAZEXFGSA-N 1 2 356.401 2.695 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001088463149 979710522 /nfs/dbraw/zinc/71/05/22/979710522.db2.gz GKJLUDOOOYCHIZ-PXAZEXFGSA-N 1 2 356.401 2.695 20 30 FFEDLO Cc1ncsc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088480578 979791410 /nfs/dbraw/zinc/79/14/10/979791410.db2.gz LGGWSBPXVCLPPS-WBMJQRKESA-N 1 2 358.442 2.855 20 30 FFEDLO Cc1ncsc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088480578 979791413 /nfs/dbraw/zinc/79/14/13/979791413.db2.gz LGGWSBPXVCLPPS-WBMJQRKESA-N 1 2 358.442 2.855 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)c3ccccc3)[C@@H]2C)CC1 ZINC001088838326 980331878 /nfs/dbraw/zinc/33/18/78/980331878.db2.gz CWWDYMBFBCXPBU-XLIONFOSSA-N 1 2 369.509 2.975 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)c3ccccc3)[C@@H]2C)CC1 ZINC001088838326 980331884 /nfs/dbraw/zinc/33/18/84/980331884.db2.gz CWWDYMBFBCXPBU-XLIONFOSSA-N 1 2 369.509 2.975 20 30 FFEDLO C=CC[C@H]1CCCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000668428433 980355968 /nfs/dbraw/zinc/35/59/68/980355968.db2.gz AWGPVGOMJDZPSB-KRWDZBQOSA-N 1 2 370.497 2.503 20 30 FFEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000668429976 980359515 /nfs/dbraw/zinc/35/95/15/980359515.db2.gz WRLOMCBZDDRRPQ-ROUUACIJSA-N 1 2 370.497 2.549 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088529512 980446523 /nfs/dbraw/zinc/44/65/23/980446523.db2.gz ZOASPCGCDJXOOS-KDOFPFPSSA-N 1 2 366.852 2.784 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088529512 980446528 /nfs/dbraw/zinc/44/65/28/980446528.db2.gz ZOASPCGCDJXOOS-KDOFPFPSSA-N 1 2 366.852 2.784 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nnc(CC)o3)C[C@H]21 ZINC001075885299 980477564 /nfs/dbraw/zinc/47/75/64/980477564.db2.gz PUJWUZGPMOTEID-YQQAZPJKSA-N 1 2 369.469 2.527 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3nnc(CC)o3)C[C@H]21 ZINC001075885299 980477568 /nfs/dbraw/zinc/47/75/68/980477568.db2.gz PUJWUZGPMOTEID-YQQAZPJKSA-N 1 2 369.469 2.527 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCOCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088546622 980517591 /nfs/dbraw/zinc/51/75/91/980517591.db2.gz LYUUAUXSVSYJDM-VCBZYWHSSA-N 1 2 359.445 2.593 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCOCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088546622 980517593 /nfs/dbraw/zinc/51/75/93/980517593.db2.gz LYUUAUXSVSYJDM-VCBZYWHSSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)Cc3cccnc3N2C1 ZINC000877687886 1014682919 /nfs/dbraw/zinc/68/29/19/1014682919.db2.gz NABWVZBYZMDSSD-QZTJIDSGSA-N 1 2 352.413 2.702 20 30 FFEDLO CO[C@@H]1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)Cc3cccnc3N2C1 ZINC000877687886 1014682924 /nfs/dbraw/zinc/68/29/24/1014682924.db2.gz NABWVZBYZMDSSD-QZTJIDSGSA-N 1 2 352.413 2.702 20 30 FFEDLO C=CCCC1(C(=O)NCC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001059854454 980983261 /nfs/dbraw/zinc/98/32/61/980983261.db2.gz IIZXAVDZAGQZCN-BRWVUGGUSA-N 1 2 370.497 2.614 20 30 FFEDLO C=CCCC1(C(=O)NCC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001059854454 980983265 /nfs/dbraw/zinc/98/32/65/980983265.db2.gz IIZXAVDZAGQZCN-BRWVUGGUSA-N 1 2 370.497 2.614 20 30 FFEDLO C=C[C@@H](C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC001168202103 981060488 /nfs/dbraw/zinc/06/04/88/981060488.db2.gz CEGXFZAXVPXSJE-FGZHOGPDSA-N 1 2 363.505 2.889 20 30 FFEDLO C=C[C@@H](C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001168202103 981060492 /nfs/dbraw/zinc/06/04/92/981060492.db2.gz CEGXFZAXVPXSJE-FGZHOGPDSA-N 1 2 363.505 2.889 20 30 FFEDLO COc1ccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1OCCCC#N ZINC000246078090 981390906 /nfs/dbraw/zinc/39/09/06/981390906.db2.gz HRUQOMFRVZTGDY-UYAOXDASSA-N 1 2 360.454 2.758 20 30 FFEDLO COc1ccc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1OCCCC#N ZINC000246078090 981390911 /nfs/dbraw/zinc/39/09/11/981390911.db2.gz HRUQOMFRVZTGDY-UYAOXDASSA-N 1 2 360.454 2.758 20 30 FFEDLO CO[C@@H]1C[N@H+](CCc2cc(Cl)cc(Cl)c2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041515 981468739 /nfs/dbraw/zinc/46/87/39/981468739.db2.gz ROIXZMFIUFKNCB-IUIKQTSFSA-N 1 2 370.280 2.511 20 30 FFEDLO CO[C@@H]1C[N@@H+](CCc2cc(Cl)cc(Cl)c2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041515 981468741 /nfs/dbraw/zinc/46/87/41/981468741.db2.gz ROIXZMFIUFKNCB-IUIKQTSFSA-N 1 2 370.280 2.511 20 30 FFEDLO CC(=O)[C@](C#N)(CC[NH+]1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000877910661 1014761811 /nfs/dbraw/zinc/76/18/11/1014761811.db2.gz WRDHJWHADRRDTI-JOCHJYFZSA-N 1 2 373.460 2.516 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000877957897 1014784574 /nfs/dbraw/zinc/78/45/74/1014784574.db2.gz GFFCUFBGQPVGIO-SFHVURJKSA-N 1 2 367.415 2.997 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000877957897 1014784586 /nfs/dbraw/zinc/78/45/86/1014784586.db2.gz GFFCUFBGQPVGIO-SFHVURJKSA-N 1 2 367.415 2.997 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)OCCCO3)[C@H]1C ZINC001088622963 981988638 /nfs/dbraw/zinc/98/86/38/981988638.db2.gz ZPZJHTCITSSJRF-HIFRSBDPSA-N 1 2 350.846 2.793 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)OCCCO3)[C@H]1C ZINC001088622963 981988646 /nfs/dbraw/zinc/98/86/46/981988646.db2.gz ZPZJHTCITSSJRF-HIFRSBDPSA-N 1 2 350.846 2.793 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc3cccn3cn2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088655258 982202293 /nfs/dbraw/zinc/20/22/93/982202293.db2.gz QVOIIDWZVDXPEH-BEFAXECRSA-N 1 2 359.433 2.599 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc3cccn3cn2)CC[N@H+]1Cc1ccccc1C#N ZINC001088655258 982202298 /nfs/dbraw/zinc/20/22/98/982202298.db2.gz QVOIIDWZVDXPEH-BEFAXECRSA-N 1 2 359.433 2.599 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000760355298 982374999 /nfs/dbraw/zinc/37/49/99/982374999.db2.gz KHKMWZFYYQEUMY-SFHVURJKSA-N 1 2 353.422 2.523 20 30 FFEDLO C[C@@H](OCCCNC(=O)CO[NH+]=C(N)c1ccc(F)cc1)c1ccccc1 ZINC000842019657 982603578 /nfs/dbraw/zinc/60/35/78/982603578.db2.gz TXQHVUOJUGRQGS-OAHLLOKOSA-N 1 2 373.428 2.747 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001060315385 984646149 /nfs/dbraw/zinc/64/61/49/984646149.db2.gz UCHHLCIQXFSDQD-AOIWGVFYSA-N 1 2 358.486 2.949 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC/C=C/CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107551523 984678823 /nfs/dbraw/zinc/67/88/23/984678823.db2.gz MAOCGOAYEAECOD-JISXSJDESA-N 1 2 370.497 2.729 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C(F)(F)F)C[C@H]2O)C1 ZINC001077642240 984893234 /nfs/dbraw/zinc/89/32/34/984893234.db2.gz ZUQNSFCYWZSOJK-HZPDHXFCSA-N 1 2 368.399 2.723 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C(F)(F)F)C[C@H]2O)C1 ZINC001077642240 984893245 /nfs/dbraw/zinc/89/32/45/984893245.db2.gz ZUQNSFCYWZSOJK-HZPDHXFCSA-N 1 2 368.399 2.723 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc(C)ccc1F ZINC001032411295 985257353 /nfs/dbraw/zinc/25/73/53/985257353.db2.gz MZADLHOZAIJUAN-GNBUJSLZSA-N 1 2 358.457 2.900 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(C)ccc1F ZINC001032411295 985257359 /nfs/dbraw/zinc/25/73/59/985257359.db2.gz MZADLHOZAIJUAN-GNBUJSLZSA-N 1 2 358.457 2.900 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2noc3c2CCCC3)CC[N@@H+]1Cc1ccccc1C#N ZINC001088878261 985274174 /nfs/dbraw/zinc/27/41/74/985274174.db2.gz KLBXWVSAJLYPAZ-KDOFPFPSSA-N 1 2 364.449 2.818 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2noc3c2CCCC3)CC[N@H+]1Cc1ccccc1C#N ZINC001088878261 985274181 /nfs/dbraw/zinc/27/41/81/985274181.db2.gz KLBXWVSAJLYPAZ-KDOFPFPSSA-N 1 2 364.449 2.818 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(CC)o2)[C@@H]1C ZINC001088908784 985418923 /nfs/dbraw/zinc/41/89/23/985418923.db2.gz RSKOXRRNBYITNT-WMEZAQDKSA-N 1 2 361.486 2.687 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncc(CC)o2)[C@@H]1C ZINC001088908784 985418929 /nfs/dbraw/zinc/41/89/29/985418929.db2.gz RSKOXRRNBYITNT-WMEZAQDKSA-N 1 2 361.486 2.687 20 30 FFEDLO CCCc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)no1 ZINC001088951124 985578399 /nfs/dbraw/zinc/57/83/99/985578399.db2.gz ABVIZJCZTOKPSX-KDOFPFPSSA-N 1 2 352.438 2.892 20 30 FFEDLO CCCc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)no1 ZINC001088951124 985578405 /nfs/dbraw/zinc/57/84/05/985578405.db2.gz ABVIZJCZTOKPSX-KDOFPFPSSA-N 1 2 352.438 2.892 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccnc2)[C@H]1C ZINC001088987460 985768883 /nfs/dbraw/zinc/76/88/83/985768883.db2.gz CTVBAUPTDYCGON-GUTXKFCHSA-N 1 2 352.276 2.673 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccnc2)[C@H]1C ZINC001088987460 985768890 /nfs/dbraw/zinc/76/88/90/985768890.db2.gz CTVBAUPTDYCGON-GUTXKFCHSA-N 1 2 352.276 2.673 20 30 FFEDLO C[C@@H]1[C@@H](C)[N@H+](C[C@@H](O)c2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC001168605438 985783393 /nfs/dbraw/zinc/78/33/93/985783393.db2.gz WUBHQQHCWRAGBW-IIDMSEBBSA-N 1 2 359.470 2.921 20 30 FFEDLO C[C@@H]1[C@@H](C)[N@@H+](C[C@@H](O)c2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC001168605438 985783404 /nfs/dbraw/zinc/78/34/04/985783404.db2.gz WUBHQQHCWRAGBW-IIDMSEBBSA-N 1 2 359.470 2.921 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001066875906 1015281774 /nfs/dbraw/zinc/28/17/74/1015281774.db2.gz FDAULUQXKMXGPA-LQWHRVPQSA-N 1 2 370.497 2.585 20 30 FFEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC001003297782 987887988 /nfs/dbraw/zinc/88/79/88/987887988.db2.gz VWJFUJATCXHWMI-CTNGQTDRSA-N 1 2 371.456 2.737 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673287571 987975072 /nfs/dbraw/zinc/97/50/72/987975072.db2.gz BDQIREADILEBJQ-FQEVSTJZSA-N 1 2 369.509 2.884 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000673287571 987975080 /nfs/dbraw/zinc/97/50/80/987975080.db2.gz BDQIREADILEBJQ-FQEVSTJZSA-N 1 2 369.509 2.884 20 30 FFEDLO CC(=O)OC1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000153562769 988438352 /nfs/dbraw/zinc/43/83/52/988438352.db2.gz ABDOSSZNEREUGK-UHFFFAOYSA-N 1 2 353.422 2.765 20 30 FFEDLO CC(=O)Oc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000762629502 988532811 /nfs/dbraw/zinc/53/28/11/988532811.db2.gz RQWURLIURANRIF-UHFFFAOYSA-N 1 2 366.421 2.671 20 30 FFEDLO CC(C)(C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)C1CCCCC1 ZINC001083845663 989124093 /nfs/dbraw/zinc/12/40/93/989124093.db2.gz NDNFYGGXKXQEJI-RTWAWAEBSA-N 1 2 368.521 2.806 20 30 FFEDLO CC(C)(C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)C1CCCCC1 ZINC001083845663 989124097 /nfs/dbraw/zinc/12/40/97/989124097.db2.gz NDNFYGGXKXQEJI-RTWAWAEBSA-N 1 2 368.521 2.806 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001008011437 1015461370 /nfs/dbraw/zinc/46/13/70/1015461370.db2.gz XKTSQVMVYHRYIA-LMMKCTJWSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001008011437 1015461377 /nfs/dbraw/zinc/46/13/77/1015461377.db2.gz XKTSQVMVYHRYIA-LMMKCTJWSA-N 1 2 359.445 2.593 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC001033432372 989570682 /nfs/dbraw/zinc/57/06/82/989570682.db2.gz NWCFJZVDQMWPPL-ZACQAIPSSA-N 1 2 371.437 2.558 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC001033432372 989570692 /nfs/dbraw/zinc/57/06/92/989570692.db2.gz NWCFJZVDQMWPPL-ZACQAIPSSA-N 1 2 371.437 2.558 20 30 FFEDLO C[C@H](CCCCNc1ncc(C#N)cc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001090168733 989838012 /nfs/dbraw/zinc/83/80/12/989838012.db2.gz IPHMEUOVLDZCMM-BPLDGKMQSA-N 1 2 370.432 2.706 20 30 FFEDLO C[C@H](CCCCNc1ncc(C#N)cc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001090168733 989838027 /nfs/dbraw/zinc/83/80/27/989838027.db2.gz IPHMEUOVLDZCMM-BPLDGKMQSA-N 1 2 370.432 2.706 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033954176 989850291 /nfs/dbraw/zinc/85/02/91/989850291.db2.gz LSCMVYSWMDVCHV-AQNXPRMDSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033954176 989850304 /nfs/dbraw/zinc/85/03/04/989850304.db2.gz LSCMVYSWMDVCHV-AQNXPRMDSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2coc(C)n2)C1 ZINC001034436243 990080938 /nfs/dbraw/zinc/08/09/38/990080938.db2.gz LWSZKHILKUJQDY-NEWSRXKRSA-N 1 2 361.486 2.825 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2coc(C)n2)C1 ZINC001034436243 990080947 /nfs/dbraw/zinc/08/09/47/990080947.db2.gz LWSZKHILKUJQDY-NEWSRXKRSA-N 1 2 361.486 2.825 20 30 FFEDLO C#Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000918329927 990371058 /nfs/dbraw/zinc/37/10/58/990371058.db2.gz KNXHAXOACLPZMM-UHFFFAOYSA-N 1 2 372.428 2.623 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129148157 990440029 /nfs/dbraw/zinc/44/00/29/990440029.db2.gz XUTXCWDUXRTDLL-QRVBRYPASA-N 1 2 359.518 2.640 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129148157 990440034 /nfs/dbraw/zinc/44/00/34/990440034.db2.gz XUTXCWDUXRTDLL-QRVBRYPASA-N 1 2 359.518 2.640 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3Cc4cccnc4N4CCC[C@@H]4C3)o2)cc1 ZINC000879499526 1015563760 /nfs/dbraw/zinc/56/37/60/1015563760.db2.gz XSNDWULCETXXDQ-GOSISDBHSA-N 1 2 372.432 2.988 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3Cc4cccnc4N4CCC[C@@H]4C3)o2)cc1 ZINC000879499526 1015563770 /nfs/dbraw/zinc/56/37/70/1015563770.db2.gz XSNDWULCETXXDQ-GOSISDBHSA-N 1 2 372.432 2.988 20 30 FFEDLO Cc1nn2c(nc3ccccc3c2=O)c1=C[NH2+]Nc1ccc([N+](=O)[O-])cc1 ZINC000918708569 990477021 /nfs/dbraw/zinc/47/70/21/990477021.db2.gz LPDRSBLLXLJUGV-UHFFFAOYSA-N 1 2 362.349 2.838 20 30 FFEDLO C=C(C)CCC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001078993459 990492266 /nfs/dbraw/zinc/49/22/66/990492266.db2.gz SPWXSVJZYOVOBJ-GVDBMIGSSA-N 1 2 358.486 2.709 20 30 FFEDLO C=C(C)CCC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001078993459 990492272 /nfs/dbraw/zinc/49/22/72/990492272.db2.gz SPWXSVJZYOVOBJ-GVDBMIGSSA-N 1 2 358.486 2.709 20 30 FFEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)ccc1F ZINC001031685013 990984749 /nfs/dbraw/zinc/98/47/49/990984749.db2.gz KMLCRFVCXRRQOM-DKSSEZFCSA-N 1 2 353.441 2.848 20 30 FFEDLO COc1ccccc1[C@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000879628839 1015616878 /nfs/dbraw/zinc/61/68/78/1015616878.db2.gz BANUUGANYKZRHG-HXUWFJFHSA-N 1 2 365.433 2.969 20 30 FFEDLO COc1ccccc1[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000879628839 1015616886 /nfs/dbraw/zinc/61/68/86/1015616886.db2.gz BANUUGANYKZRHG-HXUWFJFHSA-N 1 2 365.433 2.969 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000923564256 991257559 /nfs/dbraw/zinc/25/75/59/991257559.db2.gz PFYXXCAWWYVOFU-MRXNPFEDSA-N 1 2 359.429 2.509 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000923564256 991257571 /nfs/dbraw/zinc/25/75/71/991257571.db2.gz PFYXXCAWWYVOFU-MRXNPFEDSA-N 1 2 359.429 2.509 20 30 FFEDLO C=C(C)CCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001060755327 991295179 /nfs/dbraw/zinc/29/51/79/991295179.db2.gz GZBJJXKLQDMRLY-QBPKDAKJSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C(C)CCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001060755327 991295185 /nfs/dbraw/zinc/29/51/85/991295185.db2.gz GZBJJXKLQDMRLY-QBPKDAKJSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(CCNc2cc[nH+]c(C)n2)CC1 ZINC001063340564 991450421 /nfs/dbraw/zinc/45/04/21/991450421.db2.gz HFIMRNNATKTRHZ-HKUYNNGSSA-N 1 2 358.486 2.807 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)N(CC)c1nc(C)[nH+]c(C)c1C ZINC001089764528 991522735 /nfs/dbraw/zinc/52/27/35/991522735.db2.gz XYNXAAXMCYYADR-XWIAVFTESA-N 1 2 360.502 2.714 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001212325067 991683251 /nfs/dbraw/zinc/68/32/51/991683251.db2.gz PIIGRFQNDPGXLI-RTBURBONSA-N 1 2 358.457 2.595 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001212325067 991683256 /nfs/dbraw/zinc/68/32/56/991683256.db2.gz PIIGRFQNDPGXLI-RTBURBONSA-N 1 2 358.457 2.595 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccoc2CCC)C1 ZINC001079146498 991800745 /nfs/dbraw/zinc/80/07/45/991800745.db2.gz PYRKSNWOWJKRBU-WOJBJXKFSA-N 1 2 366.461 2.553 20 30 FFEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccoc2CCC)C1 ZINC001079146498 991800751 /nfs/dbraw/zinc/80/07/51/991800751.db2.gz PYRKSNWOWJKRBU-WOJBJXKFSA-N 1 2 366.461 2.553 20 30 FFEDLO COc1ccc(CON=C(N)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1F ZINC000181844643 991903101 /nfs/dbraw/zinc/90/31/01/991903101.db2.gz HUECTAUMOFWAMB-IBGZPJMESA-N 1 2 373.428 2.524 20 30 FFEDLO COc1ccc(CON=C(N)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1F ZINC000181844643 991903113 /nfs/dbraw/zinc/90/31/13/991903113.db2.gz HUECTAUMOFWAMB-IBGZPJMESA-N 1 2 373.428 2.524 20 30 FFEDLO CCc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2ccccc2F)o1 ZINC001079287088 991973487 /nfs/dbraw/zinc/97/34/87/991973487.db2.gz NEHGIBHTEPFSHP-RPVQJOFSSA-N 1 2 370.428 2.620 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3occc3[nH]2)C1 ZINC001079794352 992426095 /nfs/dbraw/zinc/42/60/95/992426095.db2.gz RZSXURDRXTZSLL-NOZJJQNGSA-N 1 2 352.232 2.720 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3occc3[nH]2)C1 ZINC001079794352 992426101 /nfs/dbraw/zinc/42/61/01/992426101.db2.gz RZSXURDRXTZSLL-NOZJJQNGSA-N 1 2 352.232 2.720 20 30 FFEDLO CC(C)c1cc([C@@H]2CCC[N@@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000879918786 1015708425 /nfs/dbraw/zinc/70/84/25/1015708425.db2.gz JAJQBELHRVDFCI-APWZRJJASA-N 1 2 351.454 2.811 20 30 FFEDLO CC(C)c1cc([C@@H]2CCC[N@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000879918786 1015708427 /nfs/dbraw/zinc/70/84/27/1015708427.db2.gz JAJQBELHRVDFCI-APWZRJJASA-N 1 2 351.454 2.811 20 30 FFEDLO Cc1cc(C)cc(CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000072060199 992728551 /nfs/dbraw/zinc/72/85/51/992728551.db2.gz RHTWHTLUDAAGML-UHFFFAOYSA-N 1 2 353.466 2.973 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001008848240 1015730331 /nfs/dbraw/zinc/73/03/31/1015730331.db2.gz YBKZQAVOORNVRW-AYBZRNKSSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001008848240 1015730334 /nfs/dbraw/zinc/73/03/34/1015730334.db2.gz YBKZQAVOORNVRW-AYBZRNKSSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(=O)Nc3cccc(CC)c3)C[C@H]2C)C1 ZINC001080404751 993033997 /nfs/dbraw/zinc/03/39/97/993033997.db2.gz XTXPZQJLJXKDNC-VQIMIIECSA-N 1 2 369.509 2.980 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(=O)Nc3cccc(CC)c3)C[C@H]2C)C1 ZINC001080404751 993034000 /nfs/dbraw/zinc/03/40/00/993034000.db2.gz XTXPZQJLJXKDNC-VQIMIIECSA-N 1 2 369.509 2.980 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001080597181 993177670 /nfs/dbraw/zinc/17/76/70/993177670.db2.gz TZCRVMZDAOXOCU-VUNQQRPYSA-N 1 2 363.527 2.623 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001080597181 993177673 /nfs/dbraw/zinc/17/76/73/993177673.db2.gz TZCRVMZDAOXOCU-VUNQQRPYSA-N 1 2 363.527 2.623 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)c(C)o3)C[C@H]2C)cc1 ZINC001080575441 993181188 /nfs/dbraw/zinc/18/11/88/993181188.db2.gz WFKCCUGNMPEPIA-AUUYWEPGSA-N 1 2 367.449 2.554 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)c(C)o3)C[C@H]2C)cc1 ZINC001080575441 993181194 /nfs/dbraw/zinc/18/11/94/993181194.db2.gz WFKCCUGNMPEPIA-AUUYWEPGSA-N 1 2 367.449 2.554 20 30 FFEDLO Cc1cnoc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC001080709562 993300234 /nfs/dbraw/zinc/30/02/34/993300234.db2.gz IPXWGGUFQGOVKU-RHSMWYFYSA-N 1 2 357.841 2.738 20 30 FFEDLO Cc1cnoc1C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC001080709562 993300239 /nfs/dbraw/zinc/30/02/39/993300239.db2.gz IPXWGGUFQGOVKU-RHSMWYFYSA-N 1 2 357.841 2.738 20 30 FFEDLO CCCc1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)co1 ZINC001080775767 993354813 /nfs/dbraw/zinc/35/48/13/993354813.db2.gz ZTFFADASYXGFLF-CXAGYDPISA-N 1 2 370.428 2.888 20 30 FFEDLO CCCc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)co1 ZINC001080775767 993354818 /nfs/dbraw/zinc/35/48/18/993354818.db2.gz ZTFFADASYXGFLF-CXAGYDPISA-N 1 2 370.428 2.888 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001080851642 993413921 /nfs/dbraw/zinc/41/39/21/993413921.db2.gz SQXFMCDJBHBBIB-DNVCBOLYSA-N 1 2 367.880 2.896 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001080851642 993413922 /nfs/dbraw/zinc/41/39/22/993413922.db2.gz SQXFMCDJBHBBIB-DNVCBOLYSA-N 1 2 367.880 2.896 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cccc(C)c1 ZINC001081314140 993798682 /nfs/dbraw/zinc/79/86/82/993798682.db2.gz SVFCBUPGFYZGRP-NHCUHLMSSA-N 1 2 366.436 2.615 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cccc(C)c1 ZINC001081314140 993798690 /nfs/dbraw/zinc/79/86/90/993798690.db2.gz SVFCBUPGFYZGRP-NHCUHLMSSA-N 1 2 366.436 2.615 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C(C)=C1CCCC1 ZINC001081515713 993864722 /nfs/dbraw/zinc/86/47/22/993864722.db2.gz HHOWZGFQAFEXPV-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C(C)=C1CCCC1 ZINC001081515713 993864728 /nfs/dbraw/zinc/86/47/28/993864728.db2.gz HHOWZGFQAFEXPV-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C(C)=C1CCCC1 ZINC001081515860 993866092 /nfs/dbraw/zinc/86/60/92/993866092.db2.gz KKIWQFMBNARRBQ-QZTJIDSGSA-N 1 2 359.495 2.826 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C(C)=C1CCCC1 ZINC001081515860 993866099 /nfs/dbraw/zinc/86/60/99/993866099.db2.gz KKIWQFMBNARRBQ-QZTJIDSGSA-N 1 2 359.495 2.826 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccsc1C ZINC001081639178 993897522 /nfs/dbraw/zinc/89/75/22/993897522.db2.gz HHULEOILNAGAHP-RTBURBONSA-N 1 2 354.475 2.537 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccsc1C ZINC001081639178 993897530 /nfs/dbraw/zinc/89/75/30/993897530.db2.gz HHULEOILNAGAHP-RTBURBONSA-N 1 2 354.475 2.537 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[C@H]1CC=CCC1 ZINC001082028942 994125876 /nfs/dbraw/zinc/12/58/76/994125876.db2.gz BRDZCOFAZHHPIO-BMGDILEWSA-N 1 2 359.495 2.682 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[C@H]1CC=CCC1 ZINC001082028942 994125881 /nfs/dbraw/zinc/12/58/81/994125881.db2.gz BRDZCOFAZHHPIO-BMGDILEWSA-N 1 2 359.495 2.682 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC000880444931 1015837278 /nfs/dbraw/zinc/83/72/78/1015837278.db2.gz SDFRVOJRGJGWEK-KRWDZBQOSA-N 1 2 358.388 2.829 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC000880444931 1015837286 /nfs/dbraw/zinc/83/72/86/1015837286.db2.gz SDFRVOJRGJGWEK-KRWDZBQOSA-N 1 2 358.388 2.829 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2OC)CC1 ZINC001082096877 994154923 /nfs/dbraw/zinc/15/49/23/994154923.db2.gz JHIFNTSGCNIMGX-NHCUHLMSSA-N 1 2 352.478 2.600 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2OC)CC1 ZINC001082096877 994154929 /nfs/dbraw/zinc/15/49/29/994154929.db2.gz JHIFNTSGCNIMGX-NHCUHLMSSA-N 1 2 352.478 2.600 20 30 FFEDLO Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(Cl)cc2)n1 ZINC001098006213 1015892591 /nfs/dbraw/zinc/89/25/91/1015892591.db2.gz RIQGZCIMFAJOPA-KURKYZTESA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(Cl)cc2)n1 ZINC001098006213 1015892603 /nfs/dbraw/zinc/89/26/03/1015892603.db2.gz RIQGZCIMFAJOPA-KURKYZTESA-N 1 2 368.868 2.758 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001082533351 994839280 /nfs/dbraw/zinc/83/92/80/994839280.db2.gz XMCQEMNXRMWYOP-ZWNOBZJWSA-N 1 2 352.866 2.662 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CCCC)no2)C1 ZINC001082561749 994944827 /nfs/dbraw/zinc/94/48/27/994944827.db2.gz OOYPYRWHVDRXOB-HZPDHXFCSA-N 1 2 371.485 2.650 20 30 FFEDLO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2c(C)n[nH]c2C(F)(F)F)C[C@H]1C ZINC001082646974 995175944 /nfs/dbraw/zinc/17/59/44/995175944.db2.gz GITJMXLTXRRDET-GMSGAONNSA-N 1 2 350.772 2.540 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)CO2 ZINC001054013303 1015923491 /nfs/dbraw/zinc/92/34/91/1015923491.db2.gz SACUZPOECPYRJL-CWRNSKLLSA-N 1 2 362.420 2.604 20 30 FFEDLO C[C@@H](COc1ccccc1)N[NH+]=Cc1c(Cl)nc(N)nc1N1CCCC1 ZINC000811667276 995211913 /nfs/dbraw/zinc/21/19/13/995211913.db2.gz RHZYQOJCUWPGMK-ZDUSSCGKSA-N 1 2 374.876 2.703 20 30 FFEDLO CC(C)CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001082983444 995944702 /nfs/dbraw/zinc/94/47/02/995944702.db2.gz HDSJZVOVCOFJNJ-RBUKOAKNSA-N 1 2 360.885 2.649 20 30 FFEDLO CC(C)CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001082983444 995944708 /nfs/dbraw/zinc/94/47/08/995944708.db2.gz HDSJZVOVCOFJNJ-RBUKOAKNSA-N 1 2 360.885 2.649 20 30 FFEDLO Cc1cscc1C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001083041125 996038126 /nfs/dbraw/zinc/03/81/26/996038126.db2.gz SHAVFNIZXCKDFF-RBUKOAKNSA-N 1 2 367.474 2.654 20 30 FFEDLO Cc1cscc1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001083041125 996038129 /nfs/dbraw/zinc/03/81/29/996038129.db2.gz SHAVFNIZXCKDFF-RBUKOAKNSA-N 1 2 367.474 2.654 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)c4ccoc4Cl)[C@H]3C2)cc1 ZINC001083063929 996057750 /nfs/dbraw/zinc/05/77/50/996057750.db2.gz JQFYPLKUMWYSID-DLBZAZTESA-N 1 2 371.824 2.530 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)c4ccoc4Cl)[C@H]3C2)cc1 ZINC001083063929 996057756 /nfs/dbraw/zinc/05/77/56/996057756.db2.gz JQFYPLKUMWYSID-DLBZAZTESA-N 1 2 371.824 2.530 20 30 FFEDLO C[C@H](C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21)C1CCC1 ZINC001083118818 996067642 /nfs/dbraw/zinc/06/76/42/996067642.db2.gz RDUZNDCSQGOHKT-PNHOKKKMSA-N 1 2 371.456 2.545 20 30 FFEDLO C[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21)C1CCC1 ZINC001083118818 996067645 /nfs/dbraw/zinc/06/76/45/996067645.db2.gz RDUZNDCSQGOHKT-PNHOKKKMSA-N 1 2 371.456 2.545 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000728026072 996109402 /nfs/dbraw/zinc/10/94/02/996109402.db2.gz NMQROCBWZHAJJS-UHFFFAOYSA-N 1 2 363.417 2.511 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)o1 ZINC001084171699 996302989 /nfs/dbraw/zinc/30/29/89/996302989.db2.gz OWULCQJPMDIOBS-SJLPKXTDSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)o1 ZINC001084171699 996302994 /nfs/dbraw/zinc/30/29/94/996302994.db2.gz OWULCQJPMDIOBS-SJLPKXTDSA-N 1 2 353.397 2.945 20 30 FFEDLO Cn1cccc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084193680 996325670 /nfs/dbraw/zinc/32/56/70/996325670.db2.gz PQEACLXCYIFUKG-YLJYHZDGSA-N 1 2 367.880 2.877 20 30 FFEDLO Cn1cccc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084193680 996325674 /nfs/dbraw/zinc/32/56/74/996325674.db2.gz PQEACLXCYIFUKG-YLJYHZDGSA-N 1 2 367.880 2.877 20 30 FFEDLO O=C(c1cscn1)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084228796 996376804 /nfs/dbraw/zinc/37/68/04/996376804.db2.gz RTUWCGWEGREOMQ-CRAIPNDOSA-N 1 2 371.893 2.995 20 30 FFEDLO O=C(c1cscn1)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084228796 996376810 /nfs/dbraw/zinc/37/68/10/996376810.db2.gz RTUWCGWEGREOMQ-CRAIPNDOSA-N 1 2 371.893 2.995 20 30 FFEDLO Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001084232679 996382353 /nfs/dbraw/zinc/38/23/53/996382353.db2.gz DXYQDCOPLVYXEN-SUYBPPKGSA-N 1 2 370.478 2.904 20 30 FFEDLO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001084232679 996382360 /nfs/dbraw/zinc/38/23/60/996382360.db2.gz DXYQDCOPLVYXEN-SUYBPPKGSA-N 1 2 370.478 2.904 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4[C@@H]5CCC[C@@H]54)[C@@H]3C2)c(F)c1 ZINC001084260290 996405534 /nfs/dbraw/zinc/40/55/34/996405534.db2.gz IWOLWPKDWHBQKG-VROUVPMXSA-N 1 2 353.441 2.776 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4[C@@H]5CCC[C@@H]54)[C@@H]3C2)c(F)c1 ZINC001084260290 996405541 /nfs/dbraw/zinc/40/55/41/996405541.db2.gz IWOLWPKDWHBQKG-VROUVPMXSA-N 1 2 353.441 2.776 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)cc1 ZINC001084568104 996682357 /nfs/dbraw/zinc/68/23/57/996682357.db2.gz YOYIRSPYUGIKLM-FGZHOGPDSA-N 1 2 355.441 2.886 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)cc1 ZINC001084568104 996682361 /nfs/dbraw/zinc/68/23/61/996682361.db2.gz YOYIRSPYUGIKLM-FGZHOGPDSA-N 1 2 355.441 2.886 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C4CC4)no3)[C@@H]2C1 ZINC001084693902 996906232 /nfs/dbraw/zinc/90/62/32/996906232.db2.gz COOAXRSMWMUXHS-IEBWSBKVSA-N 1 2 362.433 2.770 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C4CC4)no3)[C@@H]2C1 ZINC001084693902 996906241 /nfs/dbraw/zinc/90/62/41/996906241.db2.gz COOAXRSMWMUXHS-IEBWSBKVSA-N 1 2 362.433 2.770 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)cn3)C[C@H]21 ZINC001084712356 997029248 /nfs/dbraw/zinc/02/92/48/997029248.db2.gz CWOXRUOACSUZKT-NMLACTOBSA-N 1 2 373.472 2.625 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)cn3)C[C@H]21 ZINC001084712356 997029260 /nfs/dbraw/zinc/02/92/60/997029260.db2.gz CWOXRUOACSUZKT-NMLACTOBSA-N 1 2 373.472 2.625 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3OCCc4ccccc43)[C@@H]2C1 ZINC001084785960 997345979 /nfs/dbraw/zinc/34/59/79/997345979.db2.gz NJDFUJZGKUGFKK-QRQLOZEOSA-N 1 2 360.885 2.976 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3OCCc4ccccc43)[C@@H]2C1 ZINC001084785960 997345992 /nfs/dbraw/zinc/34/59/92/997345992.db2.gz NJDFUJZGKUGFKK-QRQLOZEOSA-N 1 2 360.885 2.976 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1OC ZINC001090917721 997764261 /nfs/dbraw/zinc/76/42/61/997764261.db2.gz ZIGFDTXCZDLBBH-QZTJIDSGSA-N 1 2 370.497 2.751 20 30 FFEDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000844307476 997785735 /nfs/dbraw/zinc/78/57/35/997785735.db2.gz ROACVNGYZAJERI-HNNXBMFYSA-N 1 2 360.414 2.908 20 30 FFEDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000844307476 997785742 /nfs/dbraw/zinc/78/57/42/997785742.db2.gz ROACVNGYZAJERI-HNNXBMFYSA-N 1 2 360.414 2.908 20 30 FFEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844329542 997789091 /nfs/dbraw/zinc/78/90/91/997789091.db2.gz HGKVKCBKDVXOGM-WFASDCNBSA-N 1 2 360.414 2.954 20 30 FFEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844329542 997789097 /nfs/dbraw/zinc/78/90/97/997789097.db2.gz HGKVKCBKDVXOGM-WFASDCNBSA-N 1 2 360.414 2.954 20 30 FFEDLO C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844367311 997839473 /nfs/dbraw/zinc/83/94/73/997839473.db2.gz SXDWVNWLKZXQAY-IERDGZPVSA-N 1 2 363.461 2.891 20 30 FFEDLO C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844367311 997839483 /nfs/dbraw/zinc/83/94/83/997839483.db2.gz SXDWVNWLKZXQAY-IERDGZPVSA-N 1 2 363.461 2.891 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)c(C#N)c1C ZINC000844365482 997839503 /nfs/dbraw/zinc/83/95/03/997839503.db2.gz GGIGWRMLZMUVES-QGZVFWFLSA-N 1 2 368.462 2.712 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c(C#N)c1C ZINC000844365482 997839514 /nfs/dbraw/zinc/83/95/14/997839514.db2.gz GGIGWRMLZMUVES-QGZVFWFLSA-N 1 2 368.462 2.712 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3O)C[C@@H]21 ZINC001084892854 997896282 /nfs/dbraw/zinc/89/62/82/997896282.db2.gz WHSALRFXLGYZAV-HIFRSBDPSA-N 1 2 365.271 2.837 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3O)C[C@@H]21 ZINC001084892854 997896289 /nfs/dbraw/zinc/89/62/89/997896289.db2.gz WHSALRFXLGYZAV-HIFRSBDPSA-N 1 2 365.271 2.837 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3csnc3C)C[C@@H]21 ZINC001084924921 998114556 /nfs/dbraw/zinc/11/45/56/998114556.db2.gz AUAPWYVABUOVJF-OCCSQVGLSA-N 1 2 370.316 2.897 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3csnc3C)C[C@@H]21 ZINC001084924921 998114559 /nfs/dbraw/zinc/11/45/59/998114559.db2.gz AUAPWYVABUOVJF-OCCSQVGLSA-N 1 2 370.316 2.897 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc[nH]c3)C[C@@H]21 ZINC001084946890 998252471 /nfs/dbraw/zinc/25/24/71/998252471.db2.gz DGAQSFLOVPCXPQ-KUHUBIRLSA-N 1 2 352.413 2.762 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc[nH]c3)C[C@@H]21 ZINC001084946890 998252481 /nfs/dbraw/zinc/25/24/81/998252481.db2.gz DGAQSFLOVPCXPQ-KUHUBIRLSA-N 1 2 352.413 2.762 20 30 FFEDLO CC(=[NH+]Nc1ccccc1S(C)(=O)=O)c1ccc(N2CCOCC2)cc1 ZINC000731933813 998361059 /nfs/dbraw/zinc/36/10/59/998361059.db2.gz OHVXRRIDWZMUHK-UHFFFAOYSA-N 1 2 373.478 2.763 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(C)cn3)[C@H]2C1 ZINC001084958991 998362180 /nfs/dbraw/zinc/36/21/80/998362180.db2.gz JQEXJLCUKZUPOX-MJGOQNOKSA-N 1 2 365.481 2.509 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(C)cn3)[C@H]2C1 ZINC001084958991 998362193 /nfs/dbraw/zinc/36/21/93/998362193.db2.gz JQEXJLCUKZUPOX-MJGOQNOKSA-N 1 2 365.481 2.509 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C(F)(F)F)no3)C[C@@H]21 ZINC001084965409 998404527 /nfs/dbraw/zinc/40/45/27/998404527.db2.gz MZVUBJUOCRICLK-MNOVXSKESA-N 1 2 363.767 2.982 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C(F)(F)F)no3)C[C@@H]21 ZINC001084965409 998404532 /nfs/dbraw/zinc/40/45/32/998404532.db2.gz MZVUBJUOCRICLK-MNOVXSKESA-N 1 2 363.767 2.982 20 30 FFEDLO CC#CC[NH2+]Cc1cn(Cc2c(C)nn(Cc3ccccc3)c2Cl)nn1 ZINC000881228447 1016217250 /nfs/dbraw/zinc/21/72/50/1016217250.db2.gz VOJTVNODOZYYOS-UHFFFAOYSA-N 1 2 368.872 2.646 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000732203776 998545355 /nfs/dbraw/zinc/54/53/55/998545355.db2.gz IGMLKLURDRCWTD-FQEVSTJZSA-N 1 2 365.477 2.947 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ncc(C2CC2)o1 ZINC001049740014 1016229519 /nfs/dbraw/zinc/22/95/19/1016229519.db2.gz IMLMODDIAYPIEY-XDNAFOTISA-N 1 2 371.481 2.708 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ncc(C2CC2)o1 ZINC001049740014 1016229522 /nfs/dbraw/zinc/22/95/22/1016229522.db2.gz IMLMODDIAYPIEY-XDNAFOTISA-N 1 2 371.481 2.708 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](OC)C3CCC3)C[C@@H]21 ZINC001085000196 998614597 /nfs/dbraw/zinc/61/45/97/998614597.db2.gz VCTWHPSUXWAKPL-VNQPRFMTSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](OC)C3CCC3)C[C@@H]21 ZINC001085000196 998614601 /nfs/dbraw/zinc/61/46/01/998614601.db2.gz VCTWHPSUXWAKPL-VNQPRFMTSA-N 1 2 371.319 2.633 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4nccs4)C[C@@H]32)c(F)c1 ZINC001085061346 998818250 /nfs/dbraw/zinc/81/82/50/998818250.db2.gz CAVGVAITXMGPMT-PBHICJAKSA-N 1 2 370.453 2.890 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4nccs4)C[C@@H]32)c(F)c1 ZINC001085061346 998818257 /nfs/dbraw/zinc/81/82/57/998818257.db2.gz CAVGVAITXMGPMT-PBHICJAKSA-N 1 2 370.453 2.890 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C)cc3)C[C@@H]21 ZINC001085091371 998919479 /nfs/dbraw/zinc/91/94/79/998919479.db2.gz ANVKBLYQTSFFJF-WBVHZDCISA-N 1 2 361.873 2.609 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C)cc3)C[C@@H]21 ZINC001085091371 998919483 /nfs/dbraw/zinc/91/94/83/998919483.db2.gz ANVKBLYQTSFFJF-WBVHZDCISA-N 1 2 361.873 2.609 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001065333513 999107767 /nfs/dbraw/zinc/10/77/67/999107767.db2.gz FRTJKRIQZHQCDR-GUXCAODWSA-N 1 2 358.486 2.585 20 30 FFEDLO COC(=O)c1cccc(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)c1C#N ZINC000824207230 999181174 /nfs/dbraw/zinc/18/11/74/999181174.db2.gz DLRYYFPDXNINHQ-DOTOQJQBSA-N 1 2 372.446 2.769 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC001085225869 999200493 /nfs/dbraw/zinc/20/04/93/999200493.db2.gz RTAYIGIBYFPEJP-HZPDHXFCSA-N 1 2 369.469 2.765 20 30 FFEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001085718285 999613525 /nfs/dbraw/zinc/61/35/25/999613525.db2.gz NCRGVZRCCDYGAA-PCCBWWKXSA-N 1 2 367.493 2.654 20 30 FFEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001085718285 999613527 /nfs/dbraw/zinc/61/35/27/999613527.db2.gz NCRGVZRCCDYGAA-PCCBWWKXSA-N 1 2 367.493 2.654 20 30 FFEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001085736202 999616827 /nfs/dbraw/zinc/61/68/27/999616827.db2.gz CNXDIBZRFYJNPC-NJYVYQBISA-N 1 2 370.468 2.525 20 30 FFEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001085736202 999616829 /nfs/dbraw/zinc/61/68/29/999616829.db2.gz CNXDIBZRFYJNPC-NJYVYQBISA-N 1 2 370.468 2.525 20 30 FFEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001085730623 999617806 /nfs/dbraw/zinc/61/78/06/999617806.db2.gz CMBMYESVIYLYLS-FYZZASKESA-N 1 2 370.468 2.525 20 30 FFEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001085730623 999617807 /nfs/dbraw/zinc/61/78/07/999617807.db2.gz CMBMYESVIYLYLS-FYZZASKESA-N 1 2 370.468 2.525 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1nc(C)c(C)s1 ZINC001085869544 999666530 /nfs/dbraw/zinc/66/65/30/999666530.db2.gz TUQOAPBTTSOKGQ-BQFCYCMXSA-N 1 2 363.527 2.774 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1nc(C)c(C)s1 ZINC001085869544 999666531 /nfs/dbraw/zinc/66/65/31/999666531.db2.gz TUQOAPBTTSOKGQ-BQFCYCMXSA-N 1 2 363.527 2.774 20 30 FFEDLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000741147686 999711785 /nfs/dbraw/zinc/71/17/85/999711785.db2.gz LFPOYQYOOAMXRZ-WMZOPIPTSA-N 1 2 357.454 2.739 20 30 FFEDLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000741147686 999711786 /nfs/dbraw/zinc/71/17/86/999711786.db2.gz LFPOYQYOOAMXRZ-WMZOPIPTSA-N 1 2 357.454 2.739 20 30 FFEDLO O=[N+]([O-])c1ccc(N[NH+]=Cc2c(N3CCOCC3)nc3ccccn32)cc1 ZINC000741811341 999743904 /nfs/dbraw/zinc/74/39/04/999743904.db2.gz SGIXQCSOQGGJLQ-UHFFFAOYSA-N 1 2 366.381 2.525 20 30 FFEDLO C[N@H+](CCc1cccs1)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000743381967 999815884 /nfs/dbraw/zinc/81/58/84/999815884.db2.gz JOBZIPKNHUFCSO-IBGZPJMESA-N 1 2 368.462 2.519 20 30 FFEDLO C[N@@H+](CCc1cccs1)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000743381967 999815888 /nfs/dbraw/zinc/81/58/88/999815888.db2.gz JOBZIPKNHUFCSO-IBGZPJMESA-N 1 2 368.462 2.519 20 30 FFEDLO CC(=NNS(=O)(=O)CCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000743448953 999819155 /nfs/dbraw/zinc/81/91/55/999819155.db2.gz IPLJZDCNPHDHKN-UHFFFAOYSA-N 1 2 368.462 2.758 20 30 FFEDLO N#Cc1ccc(N[C@H]2CCCCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1 ZINC001049982492 1016370932 /nfs/dbraw/zinc/37/09/32/1016370932.db2.gz WXQKZYHYNHHLDI-GVDBMIGSSA-N 1 2 364.453 2.663 20 30 FFEDLO N#Cc1ccc(N[C@H]2CCCCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1 ZINC001049982492 1016370941 /nfs/dbraw/zinc/37/09/41/1016370941.db2.gz WXQKZYHYNHHLDI-GVDBMIGSSA-N 1 2 364.453 2.663 20 30 FFEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1 ZINC000746456811 999993746 /nfs/dbraw/zinc/99/37/46/999993746.db2.gz KWLLICNVMUNKOX-UHFFFAOYSA-N 1 2 365.433 2.841 20 30 FFEDLO C#CC[N@H+](CC)CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1 ZINC000746456811 999993747 /nfs/dbraw/zinc/99/37/47/999993747.db2.gz KWLLICNVMUNKOX-UHFFFAOYSA-N 1 2 365.433 2.841 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)SC)C2 ZINC001108971390 1000140852 /nfs/dbraw/zinc/14/08/52/1000140852.db2.gz HUYXEQOTZXNURN-VZEFYGNVSA-N 1 2 359.495 2.540 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)SC)C2 ZINC001108971390 1000140853 /nfs/dbraw/zinc/14/08/53/1000140853.db2.gz HUYXEQOTZXNURN-VZEFYGNVSA-N 1 2 359.495 2.540 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[C@@H]2CCCO2)C3)c1 ZINC001108965707 1000142016 /nfs/dbraw/zinc/14/20/16/1000142016.db2.gz HEPCASZXNXHMCO-UMGGQSCQSA-N 1 2 371.456 2.878 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[C@@H]2CCCO2)C3)c1 ZINC001108965707 1000142017 /nfs/dbraw/zinc/14/20/17/1000142017.db2.gz HEPCASZXNXHMCO-UMGGQSCQSA-N 1 2 371.456 2.878 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC(F)(F)F)C3)c1 ZINC001109021096 1000151456 /nfs/dbraw/zinc/15/14/56/1000151456.db2.gz FZNCDMZCMTVSGS-SNPRPXQTSA-N 1 2 355.335 2.871 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC(F)(F)F)C3)c1 ZINC001109021096 1000151458 /nfs/dbraw/zinc/15/14/58/1000151458.db2.gz FZNCDMZCMTVSGS-SNPRPXQTSA-N 1 2 355.335 2.871 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1csc(-c2cnn(C)c2)n1 ZINC001109042579 1000154708 /nfs/dbraw/zinc/15/47/08/1000154708.db2.gz BWNXVFXMNJDYFL-IKGGRYGDSA-N 1 2 371.510 2.731 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1csc(-c2cnn(C)c2)n1 ZINC001109042579 1000154710 /nfs/dbraw/zinc/15/47/10/1000154710.db2.gz BWNXVFXMNJDYFL-IKGGRYGDSA-N 1 2 371.510 2.731 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)c1F ZINC001109072306 1000161908 /nfs/dbraw/zinc/16/19/08/1000161908.db2.gz DHJMMRQAHNABKZ-KBMXLJTQSA-N 1 2 352.837 2.903 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)c1F ZINC001109072306 1000161910 /nfs/dbraw/zinc/16/19/10/1000161910.db2.gz DHJMMRQAHNABKZ-KBMXLJTQSA-N 1 2 352.837 2.903 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001109283911 1000226467 /nfs/dbraw/zinc/22/64/67/1000226467.db2.gz ILHJVEWQGBTSQN-UAGQMJEPSA-N 1 2 358.486 2.585 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(F)C(F)(F)F)C3)c1 ZINC001109310661 1000257135 /nfs/dbraw/zinc/25/71/35/1000257135.db2.gz OTDZHPXMUUARGK-CBBWQLFWSA-N 1 2 355.335 2.680 20 30 FFEDLO N#Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(F)C(F)(F)F)C3)c1 ZINC001109310661 1000257144 /nfs/dbraw/zinc/25/71/44/1000257144.db2.gz OTDZHPXMUUARGK-CBBWQLFWSA-N 1 2 355.335 2.680 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001091291520 1000377673 /nfs/dbraw/zinc/37/76/73/1000377673.db2.gz GYSKPLGRVOMCKO-NUEKZKHPSA-N 1 2 356.474 2.805 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(Cc2ccc3c(c2)COC3)CC1=O ZINC000769794588 1000603401 /nfs/dbraw/zinc/60/34/01/1000603401.db2.gz OCMXXAGTUOAQOT-UHFFFAOYSA-N 1 2 374.444 2.877 20 30 FFEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001146220304 1000640647 /nfs/dbraw/zinc/64/06/47/1000640647.db2.gz CSPJFTUMZMIILA-PMACEKPBSA-N 1 2 374.444 2.995 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001109592242 1000689443 /nfs/dbraw/zinc/68/94/43/1000689443.db2.gz LWPYQOKZVRFREH-SQNIBIBYSA-N 1 2 373.541 2.615 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001109592242 1000689452 /nfs/dbraw/zinc/68/94/52/1000689452.db2.gz LWPYQOKZVRFREH-SQNIBIBYSA-N 1 2 373.541 2.615 20 30 FFEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C(F)(F)F ZINC001109615857 1000732731 /nfs/dbraw/zinc/73/27/31/1000732731.db2.gz UCUBPJNRBCDLLF-FWYOQMDTSA-N 1 2 351.372 2.978 20 30 FFEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C(F)(F)F ZINC001109615857 1000732736 /nfs/dbraw/zinc/73/27/36/1000732736.db2.gz UCUBPJNRBCDLLF-FWYOQMDTSA-N 1 2 351.372 2.978 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)C(C)C ZINC001109634171 1000734655 /nfs/dbraw/zinc/73/46/55/1000734655.db2.gz FDMDLMBHPAVYKQ-MHORFTMASA-N 1 2 370.559 2.524 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)C(C)C ZINC001109634171 1000734659 /nfs/dbraw/zinc/73/46/59/1000734659.db2.gz FDMDLMBHPAVYKQ-MHORFTMASA-N 1 2 370.559 2.524 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1C ZINC001109627261 1000739811 /nfs/dbraw/zinc/73/98/11/1000739811.db2.gz ITWJWLPQNYSVOI-HOJAQTOUSA-N 1 2 367.493 2.849 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1C ZINC001109627261 1000739821 /nfs/dbraw/zinc/73/98/21/1000739821.db2.gz ITWJWLPQNYSVOI-HOJAQTOUSA-N 1 2 367.493 2.849 20 30 FFEDLO CC(F)(F)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109687141 1000848833 /nfs/dbraw/zinc/84/88/33/1000848833.db2.gz VBKFKEUXXBLXLX-KBMXLJTQSA-N 1 2 351.372 2.964 20 30 FFEDLO CC(F)(F)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109687141 1000848839 /nfs/dbraw/zinc/84/88/39/1000848839.db2.gz VBKFKEUXXBLXLX-KBMXLJTQSA-N 1 2 351.372 2.964 20 30 FFEDLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1 ZINC001091655907 1000971124 /nfs/dbraw/zinc/97/11/24/1000971124.db2.gz RDTVSWIEYMBVGE-NVAPDCRFSA-N 1 2 370.497 2.622 20 30 FFEDLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1 ZINC001091655907 1000971131 /nfs/dbraw/zinc/97/11/31/1000971131.db2.gz RDTVSWIEYMBVGE-NVAPDCRFSA-N 1 2 370.497 2.622 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@@H](C)c3nnc(C)[nH]3)C[C@@]2(C)C1 ZINC001091701745 1001091607 /nfs/dbraw/zinc/09/16/07/1001091607.db2.gz FZUIUEWHGMSMRL-FVMIAERFSA-N 1 2 365.909 2.733 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2C[N@H+]([C@@H](C)c3nnc(C)[nH]3)C[C@@]2(C)C1 ZINC001091701745 1001091610 /nfs/dbraw/zinc/09/16/10/1001091610.db2.gz FZUIUEWHGMSMRL-FVMIAERFSA-N 1 2 365.909 2.733 20 30 FFEDLO C=C(C)COc1ccccc1C[NH+]1CC2(C1)COCC(=O)N2[C@H](C)CC ZINC001276192210 1016504813 /nfs/dbraw/zinc/50/48/13/1016504813.db2.gz HSYACKZPLQVBMR-QGZVFWFLSA-N 1 2 358.482 2.853 20 30 FFEDLO COCC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110123750 1001840823 /nfs/dbraw/zinc/84/08/23/1001840823.db2.gz ONBJLWLESGDKPK-BIGGFVEDSA-N 1 2 359.445 2.591 20 30 FFEDLO COCC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110123750 1001840838 /nfs/dbraw/zinc/84/08/38/1001840838.db2.gz ONBJLWLESGDKPK-BIGGFVEDSA-N 1 2 359.445 2.591 20 30 FFEDLO CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001110318349 1001962562 /nfs/dbraw/zinc/96/25/62/1001962562.db2.gz MWEZWQLTTWDFGZ-AXUOBQJMSA-N 1 2 360.885 2.838 20 30 FFEDLO CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001110318349 1001962568 /nfs/dbraw/zinc/96/25/68/1001962568.db2.gz MWEZWQLTTWDFGZ-AXUOBQJMSA-N 1 2 360.885 2.838 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3CCC)C[C@@]2(C)C1 ZINC001091910737 1002064030 /nfs/dbraw/zinc/06/40/30/1002064030.db2.gz GCJHBWKDPHEMAO-UZLBHIALSA-N 1 2 359.518 2.571 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3CCC)C[C@@]2(C)C1 ZINC001091910737 1002064039 /nfs/dbraw/zinc/06/40/39/1002064039.db2.gz GCJHBWKDPHEMAO-UZLBHIALSA-N 1 2 359.518 2.571 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CCC4)n3C)C[C@@]2(C)C1 ZINC001091917197 1002066281 /nfs/dbraw/zinc/06/62/81/1002066281.db2.gz VBTWOQCZBAOCNC-IERDGZPVSA-N 1 2 371.529 2.575 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CCC4)n3C)C[C@@]2(C)C1 ZINC001091917197 1002066295 /nfs/dbraw/zinc/06/62/95/1002066295.db2.gz VBTWOQCZBAOCNC-IERDGZPVSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccnn2[C@@H]2CCCCO2)C1=O ZINC001276224301 1016565962 /nfs/dbraw/zinc/56/59/62/1016565962.db2.gz FNNLTHIIHGKZNQ-ICSRJNTNSA-N 1 2 358.486 2.725 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccnn2[C@@H]2CCCCO2)C1=O ZINC001276224301 1016565976 /nfs/dbraw/zinc/56/59/76/1016565976.db2.gz FNNLTHIIHGKZNQ-ICSRJNTNSA-N 1 2 358.486 2.725 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COC2CCCC2)C3)c(F)c1 ZINC001110330123 1002201187 /nfs/dbraw/zinc/20/11/87/1002201187.db2.gz MZAFZJNRUMGDHX-AHRSYUTCSA-N 1 2 371.456 2.878 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COC2CCCC2)C3)c(F)c1 ZINC001110330123 1002201193 /nfs/dbraw/zinc/20/11/93/1002201193.db2.gz MZAFZJNRUMGDHX-AHRSYUTCSA-N 1 2 371.456 2.878 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(CC)o4)C[C@@]3(C)C2)CC1 ZINC001091978965 1002239810 /nfs/dbraw/zinc/23/98/10/1002239810.db2.gz MZEFKKYJFVYXQJ-UZLBHIALSA-N 1 2 358.486 2.659 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(CC)o4)C[C@@]3(C)C2)CC1 ZINC001091978965 1002239821 /nfs/dbraw/zinc/23/98/21/1002239821.db2.gz MZEFKKYJFVYXQJ-UZLBHIALSA-N 1 2 358.486 2.659 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C)n4CC)C[C@@]3(C)C2)CC1 ZINC001091979217 1002241568 /nfs/dbraw/zinc/24/15/68/1002241568.db2.gz XJESZEVMWHBTDS-NQIIRXRSSA-N 1 2 371.529 2.633 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C)n4CC)C[C@@]3(C)C2)CC1 ZINC001091979217 1002241571 /nfs/dbraw/zinc/24/15/71/1002241571.db2.gz XJESZEVMWHBTDS-NQIIRXRSSA-N 1 2 371.529 2.633 20 30 FFEDLO C[C@H]1OCC[C@]12C[N@H+](Cn1ccc(-c3ccc(C#N)cc3)n1)C[C@@H](C)O2 ZINC000790408295 1002365042 /nfs/dbraw/zinc/36/50/42/1002365042.db2.gz UARDFCJUYZAINX-QINHECLXSA-N 1 2 352.438 2.648 20 30 FFEDLO C[C@H]1OCC[C@]12C[N@@H+](Cn1ccc(-c3ccc(C#N)cc3)n1)C[C@@H](C)O2 ZINC000790408295 1002365061 /nfs/dbraw/zinc/36/50/61/1002365061.db2.gz UARDFCJUYZAINX-QINHECLXSA-N 1 2 352.438 2.648 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CCOCC2 ZINC001183841346 1002408000 /nfs/dbraw/zinc/40/80/00/1002408000.db2.gz MFWTUARGDRYWGF-RBUKOAKNSA-N 1 2 353.466 2.598 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CCOCC2 ZINC001183841346 1002408011 /nfs/dbraw/zinc/40/80/11/1002408011.db2.gz MFWTUARGDRYWGF-RBUKOAKNSA-N 1 2 353.466 2.598 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn3c(n2)CCC3)C1 ZINC001086588675 1002430338 /nfs/dbraw/zinc/43/03/38/1002430338.db2.gz IMGONTGDXXXWDE-DLBZAZTESA-N 1 2 370.884 2.780 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn3c(n2)CCC3)C1 ZINC001086588675 1002430343 /nfs/dbraw/zinc/43/03/43/1002430343.db2.gz IMGONTGDXXXWDE-DLBZAZTESA-N 1 2 370.884 2.780 20 30 FFEDLO CC[C@H](C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ncccc2C#N)C1 ZINC001092313350 1002661277 /nfs/dbraw/zinc/66/12/77/1002661277.db2.gz GOLDUXTXPCMATQ-USXIJHARSA-N 1 2 366.469 2.529 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2O)C3)cc1F ZINC001096824141 1016655295 /nfs/dbraw/zinc/65/52/95/1016655295.db2.gz VGLGCCDFGVYNQQ-LZQZEXGQSA-N 1 2 365.408 2.938 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2O)C3)cc1F ZINC001096824141 1016655302 /nfs/dbraw/zinc/65/53/02/1016655302.db2.gz VGLGCCDFGVYNQQ-LZQZEXGQSA-N 1 2 365.408 2.938 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@@]2(C)C1 ZINC001092284924 1002689723 /nfs/dbraw/zinc/68/97/23/1002689723.db2.gz UPNKXXUIQKJSGH-GHTZIAJQSA-N 1 2 354.498 2.880 20 30 FFEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1F)c1nccn12 ZINC001092402396 1002778893 /nfs/dbraw/zinc/77/88/93/1002778893.db2.gz OVICOEYESHFARC-JZXOWHBKSA-N 1 2 366.440 2.584 20 30 FFEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1sccc1C)c1nccn12 ZINC001092369037 1002783953 /nfs/dbraw/zinc/78/39/53/1002783953.db2.gz UBIQPIRLMJCYQJ-OAGGEKHMSA-N 1 2 368.506 2.815 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110361045 1002921110 /nfs/dbraw/zinc/92/11/10/1002921110.db2.gz WFUYPKAAKKTDOV-HSGBFHSBSA-N 1 2 371.456 2.734 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110361045 1002921115 /nfs/dbraw/zinc/92/11/15/1002921115.db2.gz WFUYPKAAKKTDOV-HSGBFHSBSA-N 1 2 371.456 2.734 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](CCCc3ccccc3OC)C[C@@]2(F)C1=O ZINC001276279719 1016705297 /nfs/dbraw/zinc/70/52/97/1016705297.db2.gz AJFYEWPQYYEWTH-VQTJNVASSA-N 1 2 364.436 2.778 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](CCCc3ccccc3OC)C[C@@]2(F)C1=O ZINC001276279719 1016705309 /nfs/dbraw/zinc/70/53/09/1016705309.db2.gz AJFYEWPQYYEWTH-VQTJNVASSA-N 1 2 364.436 2.778 20 30 FFEDLO CC(C)CN1C[C@@]2(F)C[N@H+](CCCc3cccc(C#N)c3)C[C@@]2(F)C1=O ZINC001276279930 1016706398 /nfs/dbraw/zinc/70/63/98/1016706398.db2.gz GBPKFRRMRPPGCC-VQTJNVASSA-N 1 2 361.436 2.721 20 30 FFEDLO CC(C)CN1C[C@@]2(F)C[N@@H+](CCCc3cccc(C#N)c3)C[C@@]2(F)C1=O ZINC001276279930 1016706410 /nfs/dbraw/zinc/70/64/10/1016706410.db2.gz GBPKFRRMRPPGCC-VQTJNVASSA-N 1 2 361.436 2.721 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C2CC2)no1 ZINC001110366073 1003012300 /nfs/dbraw/zinc/01/23/00/1003012300.db2.gz IWDNYKZFURQXLD-LRHNDGHRSA-N 1 2 359.470 2.755 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C2CC2)no1 ZINC001110366073 1003012295 /nfs/dbraw/zinc/01/22/95/1003012295.db2.gz IWDNYKZFURQXLD-LRHNDGHRSA-N 1 2 359.470 2.755 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccncc2F)C3)ccc1F ZINC001096908595 1016722832 /nfs/dbraw/zinc/72/28/32/1016722832.db2.gz RCILPVKKCKVHLL-ZMYBRWDISA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccncc2F)C3)ccc1F ZINC001096908595 1016722835 /nfs/dbraw/zinc/72/28/35/1016722835.db2.gz RCILPVKKCKVHLL-ZMYBRWDISA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)n1 ZINC001152344904 1032150088 /nfs/dbraw/zinc/15/00/88/1032150088.db2.gz YRZUSLWYZMDZHK-LBPRGKRZSA-N 1 2 366.812 2.795 20 30 FFEDLO N#CCSCC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC001186916991 1003489201 /nfs/dbraw/zinc/48/92/01/1003489201.db2.gz DRQOAIGXKDCULT-SWLSCSKDSA-N 1 2 367.877 2.769 20 30 FFEDLO N#CCSCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC001186916991 1003489205 /nfs/dbraw/zinc/48/92/05/1003489205.db2.gz DRQOAIGXKDCULT-SWLSCSKDSA-N 1 2 367.877 2.769 20 30 FFEDLO C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]nc3c2C[C@H](C)CC3)C1 ZINC001086617459 1003511364 /nfs/dbraw/zinc/51/13/64/1003511364.db2.gz GKXRIDNSFCOTCP-MOXGXCLJSA-N 1 2 364.493 2.918 20 30 FFEDLO C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]nc3c2C[C@H](C)CC3)C1 ZINC001086617459 1003511368 /nfs/dbraw/zinc/51/13/68/1003511368.db2.gz GKXRIDNSFCOTCP-MOXGXCLJSA-N 1 2 364.493 2.918 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(F)c2F)[nH]1 ZINC001096972761 1016790066 /nfs/dbraw/zinc/79/00/66/1016790066.db2.gz YBHGLRBZMCRZRE-XYPHTWIQSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(F)c2F)[nH]1 ZINC001096972761 1016790076 /nfs/dbraw/zinc/79/00/76/1016790076.db2.gz YBHGLRBZMCRZRE-XYPHTWIQSA-N 1 2 356.376 2.700 20 30 FFEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCCCCCCCCC)[C@@H](n2ccnn2)C1 ZINC001129400597 1003638888 /nfs/dbraw/zinc/63/88/88/1003638888.db2.gz TUDMRYFAFKZLIZ-MOPGFXCFSA-N 1 2 359.518 2.784 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCCCCCCCCC)[C@@H](n2ccnn2)C1 ZINC001129400597 1003638896 /nfs/dbraw/zinc/63/88/96/1003638896.db2.gz TUDMRYFAFKZLIZ-MOPGFXCFSA-N 1 2 359.518 2.784 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C(C)C)n1 ZINC001092852753 1003670103 /nfs/dbraw/zinc/67/01/03/1003670103.db2.gz VKXYGUFNWXMQTH-YVSFHVDLSA-N 1 2 358.486 2.725 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2n2ccnn2)CCCC1 ZINC001129490811 1003674915 /nfs/dbraw/zinc/67/49/15/1003674915.db2.gz PFCCLFUELZGSPG-FYUFSVPTSA-N 1 2 363.893 2.509 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2n2ccnn2)CCCC1 ZINC001129490811 1003674918 /nfs/dbraw/zinc/67/49/18/1003674918.db2.gz PFCCLFUELZGSPG-FYUFSVPTSA-N 1 2 363.893 2.509 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC001191368080 1003802134 /nfs/dbraw/zinc/80/21/34/1003802134.db2.gz XLNDRJPKPFMKFW-RTWAWAEBSA-N 1 2 357.498 2.845 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000804835572 1003870775 /nfs/dbraw/zinc/87/07/75/1003870775.db2.gz RVCTZOQWWOIONR-INIZCTEOSA-N 1 2 374.460 2.829 20 30 FFEDLO CCCCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2C#N)CC1 ZINC001196665463 1003909636 /nfs/dbraw/zinc/90/96/36/1003909636.db2.gz OHZBMVXBBFIFGA-UHFFFAOYSA-N 1 2 355.891 2.708 20 30 FFEDLO N#Cc1cc(F)c(C(=O)N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)c(F)c1 ZINC001191927820 1003998624 /nfs/dbraw/zinc/99/86/24/1003998624.db2.gz MGWFXPIBQZRWCR-SFHVURJKSA-N 1 2 353.372 2.892 20 30 FFEDLO N#Cc1cc(F)c(C(=O)N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)c(F)c1 ZINC001191927820 1003998631 /nfs/dbraw/zinc/99/86/31/1003998631.db2.gz MGWFXPIBQZRWCR-SFHVURJKSA-N 1 2 353.372 2.892 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001197196515 1004116479 /nfs/dbraw/zinc/11/64/79/1004116479.db2.gz URQKXJQWHYVSHX-RTBURBONSA-N 1 2 363.546 2.628 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001197196515 1004116484 /nfs/dbraw/zinc/11/64/84/1004116484.db2.gz URQKXJQWHYVSHX-RTBURBONSA-N 1 2 363.546 2.628 20 30 FFEDLO CCC[C@@H](C)CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001193286998 1004438805 /nfs/dbraw/zinc/43/88/05/1004438805.db2.gz QYVKMPWQPWVSKC-HMXCVIKNSA-N 1 2 356.510 2.806 20 30 FFEDLO CCC[C@@H](C)CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001193286998 1004438813 /nfs/dbraw/zinc/43/88/13/1004438813.db2.gz QYVKMPWQPWVSKC-HMXCVIKNSA-N 1 2 356.510 2.806 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1F ZINC001110500808 1004462546 /nfs/dbraw/zinc/46/25/46/1004462546.db2.gz MTMNNFHWACYQLB-JNNRSPCRSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1F ZINC001110500808 1004462551 /nfs/dbraw/zinc/46/25/51/1004462551.db2.gz MTMNNFHWACYQLB-JNNRSPCRSA-N 1 2 350.409 2.513 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccccc2n1C ZINC001110459437 1004493361 /nfs/dbraw/zinc/49/33/61/1004493361.db2.gz KMVPYYKRHXPYIR-POAQFYNOSA-N 1 2 364.493 2.988 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccccc2n1C ZINC001110459437 1004493363 /nfs/dbraw/zinc/49/33/63/1004493363.db2.gz KMVPYYKRHXPYIR-POAQFYNOSA-N 1 2 364.493 2.988 20 30 FFEDLO N#Cc1cccc(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)c1O ZINC001193647144 1004538492 /nfs/dbraw/zinc/53/84/92/1004538492.db2.gz WLSWNVNASIHJGU-UHFFFAOYSA-N 1 2 351.406 2.991 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)coc1C)C2 ZINC001110508903 1004624293 /nfs/dbraw/zinc/62/42/93/1004624293.db2.gz TXCQVESNHAZHAG-KURKYZTESA-N 1 2 373.497 2.656 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)coc1C)C2 ZINC001110508903 1004624302 /nfs/dbraw/zinc/62/43/02/1004624302.db2.gz TXCQVESNHAZHAG-KURKYZTESA-N 1 2 373.497 2.656 20 30 FFEDLO CCCCCC[C@H](CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131048952 1004680253 /nfs/dbraw/zinc/68/02/53/1004680253.db2.gz MXBWJOSNIDPUOT-RCCFBDPRSA-N 1 2 359.518 2.824 20 30 FFEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccccc1OC ZINC001198908707 1004790280 /nfs/dbraw/zinc/79/02/80/1004790280.db2.gz LZADSNCANARIPZ-IIVZCXTMSA-N 1 2 364.873 2.762 20 30 FFEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(C#CBr)cc1 ZINC001194828056 1004824792 /nfs/dbraw/zinc/82/47/92/1004824792.db2.gz VOEKNFMDDMMWPJ-MRXNPFEDSA-N 1 2 370.250 2.794 20 30 FFEDLO CCCC[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001194840735 1004828268 /nfs/dbraw/zinc/82/82/68/1004828268.db2.gz MYENINYMCAVBKX-HMXCVIKNSA-N 1 2 356.510 2.806 20 30 FFEDLO CCCC[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001194840735 1004828276 /nfs/dbraw/zinc/82/82/76/1004828276.db2.gz MYENINYMCAVBKX-HMXCVIKNSA-N 1 2 356.510 2.806 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc3ccccc3o2)C[C@H]1O ZINC001195254706 1004924323 /nfs/dbraw/zinc/92/43/23/1004924323.db2.gz FGQGRALJAPHRHT-NUEKZKHPSA-N 1 2 357.454 2.652 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc3ccccc3o2)C[C@H]1O ZINC001195254706 1004924327 /nfs/dbraw/zinc/92/43/27/1004924327.db2.gz FGQGRALJAPHRHT-NUEKZKHPSA-N 1 2 357.454 2.652 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@H]1O ZINC001195278317 1004929803 /nfs/dbraw/zinc/92/98/03/1004929803.db2.gz RUDNFSVQNUMVHP-JCURWCKSSA-N 1 2 352.425 2.789 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@H]1O ZINC001195278317 1004929807 /nfs/dbraw/zinc/92/98/07/1004929807.db2.gz RUDNFSVQNUMVHP-JCURWCKSSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C[C@H]1O ZINC001195724891 1005022238 /nfs/dbraw/zinc/02/22/38/1005022238.db2.gz FYYXAEVJFNYAMR-CGTJXYLNSA-N 1 2 369.465 2.920 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C[C@H]1O ZINC001195724891 1005022242 /nfs/dbraw/zinc/02/22/42/1005022242.db2.gz FYYXAEVJFNYAMR-CGTJXYLNSA-N 1 2 369.465 2.920 20 30 FFEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1coc(-c2ccccc2)n1 ZINC001110543553 1005045488 /nfs/dbraw/zinc/04/54/88/1005045488.db2.gz XRGCLZUZAVEHNH-AQNXPRMDSA-N 1 2 361.445 2.977 20 30 FFEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1coc(-c2ccccc2)n1 ZINC001110543553 1005045491 /nfs/dbraw/zinc/04/54/91/1005045491.db2.gz XRGCLZUZAVEHNH-AQNXPRMDSA-N 1 2 361.445 2.977 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)c(OC)c2)C[C@H]1O ZINC001195924764 1005075012 /nfs/dbraw/zinc/07/50/12/1005075012.db2.gz ZWUIDQDNDPSCMJ-MDZRGWNJSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(OC)c2)C[C@H]1O ZINC001195924764 1005075018 /nfs/dbraw/zinc/07/50/18/1005075018.db2.gz ZWUIDQDNDPSCMJ-MDZRGWNJSA-N 1 2 366.889 2.612 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1Cl ZINC001110550384 1005091720 /nfs/dbraw/zinc/09/17/20/1005091720.db2.gz OIFJLHDTXFCNAY-OIISXLGYSA-N 1 2 364.848 2.741 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1Cl ZINC001110550384 1005091726 /nfs/dbraw/zinc/09/17/26/1005091726.db2.gz OIFJLHDTXFCNAY-OIISXLGYSA-N 1 2 364.848 2.741 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(CC)no2)C[C@H]1c1ccccc1 ZINC001488884557 1005377543 /nfs/dbraw/zinc/37/75/43/1005377543.db2.gz BUNSHUFWNZWLKC-ZWKOTPCHSA-N 1 2 366.465 2.520 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nc(CC)no2)C[C@H]1c1ccccc1 ZINC001488884557 1005377545 /nfs/dbraw/zinc/37/75/45/1005377545.db2.gz BUNSHUFWNZWLKC-ZWKOTPCHSA-N 1 2 366.465 2.520 20 30 FFEDLO Cc1cnc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)C#CC(C)C)C2)nc1 ZINC001488884922 1005377733 /nfs/dbraw/zinc/37/77/33/1005377733.db2.gz LICVPIINGZUNQB-VQTJNVASSA-N 1 2 362.477 2.529 20 30 FFEDLO Cc1cnc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)C#CC(C)C)C2)nc1 ZINC001488884922 1005377735 /nfs/dbraw/zinc/37/77/35/1005377735.db2.gz LICVPIINGZUNQB-VQTJNVASSA-N 1 2 362.477 2.529 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3nc(CC4CC4)no3)CC[C@@H]2C1 ZINC001489191099 1005427506 /nfs/dbraw/zinc/42/75/06/1005427506.db2.gz KKAJITOAFPAKOA-SJORKVTESA-N 1 2 358.486 2.659 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H]2C[N@H+](Cc3nc(CC4CC4)no3)CC[C@@H]2C1 ZINC001489191099 1005427507 /nfs/dbraw/zinc/42/75/07/1005427507.db2.gz KKAJITOAFPAKOA-SJORKVTESA-N 1 2 358.486 2.659 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC001489256568 1005440404 /nfs/dbraw/zinc/44/04/04/1005440404.db2.gz DHFTWTLQZHUQCI-XYJFISCASA-N 1 2 366.465 2.610 20 30 FFEDLO CC(C)C#CC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(C(C)C)cc2)[C@@H]1C ZINC001489261785 1005442751 /nfs/dbraw/zinc/44/27/51/1005442751.db2.gz FLJAVBKWHIRJFD-XLIONFOSSA-N 1 2 369.509 2.987 20 30 FFEDLO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C(C)C)cc2)[C@@H]1C ZINC001489261785 1005442753 /nfs/dbraw/zinc/44/27/53/1005442753.db2.gz FLJAVBKWHIRJFD-XLIONFOSSA-N 1 2 369.509 2.987 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(O)cc2)[C@@H]1C ZINC001489288488 1005449862 /nfs/dbraw/zinc/44/98/62/1005449862.db2.gz FIMCYNKQPYRTKJ-CFLQYTFWSA-N 1 2 359.470 2.512 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(O)cc2)[C@@H]1C ZINC001489288488 1005449864 /nfs/dbraw/zinc/44/98/64/1005449864.db2.gz FIMCYNKQPYRTKJ-CFLQYTFWSA-N 1 2 359.470 2.512 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001489458290 1005480397 /nfs/dbraw/zinc/48/03/97/1005480397.db2.gz GXUBVIJCHVDGBV-SJLPKXTDSA-N 1 2 368.481 2.505 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001490781652 1005771264 /nfs/dbraw/zinc/77/12/64/1005771264.db2.gz RIDXTMIGKYBYBC-SUMDDJOVSA-N 1 2 364.449 2.618 20 30 FFEDLO COCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187226713 1005966139 /nfs/dbraw/zinc/96/61/39/1005966139.db2.gz YNZIFIBISYOCQA-QFBILLFUSA-N 1 2 359.445 2.547 20 30 FFEDLO COCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187226713 1005966148 /nfs/dbraw/zinc/96/61/48/1005966148.db2.gz YNZIFIBISYOCQA-QFBILLFUSA-N 1 2 359.445 2.547 20 30 FFEDLO CO[C@@H](C)CC(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001187208234 1005977326 /nfs/dbraw/zinc/97/73/26/1005977326.db2.gz DNNXEGDOQPPOFK-VDZJLULYSA-N 1 2 360.885 2.649 20 30 FFEDLO CO[C@@H](C)CC(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001187208234 1005977333 /nfs/dbraw/zinc/97/73/33/1005977333.db2.gz DNNXEGDOQPPOFK-VDZJLULYSA-N 1 2 360.885 2.649 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3cc(C)ccc3C)C[C@H]21 ZINC001187209872 1005979490 /nfs/dbraw/zinc/97/94/90/1005979490.db2.gz QOYDPGCNWGRQHA-PKOBYXMFSA-N 1 2 355.482 2.741 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3cc(C)ccc3C)C[C@H]21 ZINC001187209872 1005979495 /nfs/dbraw/zinc/97/94/95/1005979495.db2.gz QOYDPGCNWGRQHA-PKOBYXMFSA-N 1 2 355.482 2.741 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cnc(Cl)s3)C[C@H]21 ZINC001187218088 1005985546 /nfs/dbraw/zinc/98/55/46/1005985546.db2.gz YSPOMLAMCREGSG-KCQAQPDRSA-N 1 2 369.918 2.810 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cnc(Cl)s3)C[C@H]21 ZINC001187218088 1005985551 /nfs/dbraw/zinc/98/55/51/1005985551.db2.gz YSPOMLAMCREGSG-KCQAQPDRSA-N 1 2 369.918 2.810 20 30 FFEDLO C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187480166 1006110118 /nfs/dbraw/zinc/11/01/18/1006110118.db2.gz QENLLWMXVJYHTN-FXAWDEMLSA-N 1 2 371.456 2.713 20 30 FFEDLO C=CCOCCCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187480166 1006110131 /nfs/dbraw/zinc/11/01/31/1006110131.db2.gz QENLLWMXVJYHTN-FXAWDEMLSA-N 1 2 371.456 2.713 20 30 FFEDLO CCc1nnsc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001095710246 1017028150 /nfs/dbraw/zinc/02/81/50/1017028150.db2.gz AUMQTKMQUBNSJG-PVAVHDDUSA-N 1 2 367.478 2.507 20 30 FFEDLO CCc1nnsc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001095710246 1017028161 /nfs/dbraw/zinc/02/81/61/1017028161.db2.gz AUMQTKMQUBNSJG-PVAVHDDUSA-N 1 2 367.478 2.507 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 ZINC000747922796 1006205438 /nfs/dbraw/zinc/20/54/38/1006205438.db2.gz VAJBNRDZILPCRB-SFHVURJKSA-N 1 2 363.417 2.614 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 ZINC000747922796 1006205452 /nfs/dbraw/zinc/20/54/52/1006205452.db2.gz VAJBNRDZILPCRB-SFHVURJKSA-N 1 2 363.417 2.614 20 30 FFEDLO COc1ccc2nc(C[N@@H+]3[C@@H]4CC[C@H]3[C@H](NC(=O)[C@H](C)C#N)C4)sc2c1 ZINC001110396003 1006220392 /nfs/dbraw/zinc/22/03/92/1006220392.db2.gz IXYQWFYEQZMGBK-BHTHQVBYSA-N 1 2 370.478 2.686 20 30 FFEDLO COc1ccc2nc(C[N@H+]3[C@@H]4CC[C@H]3[C@H](NC(=O)[C@H](C)C#N)C4)sc2c1 ZINC001110396003 1006220398 /nfs/dbraw/zinc/22/03/98/1006220398.db2.gz IXYQWFYEQZMGBK-BHTHQVBYSA-N 1 2 370.478 2.686 20 30 FFEDLO CO[C@@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])C1CCCC1 ZINC000853000457 1006270799 /nfs/dbraw/zinc/27/07/99/1006270799.db2.gz MJMIVYGWTKTTDU-SFHVURJKSA-N 1 2 368.481 2.851 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(-c4ccccc4)n3)C[C@H]21 ZINC001187849148 1006273095 /nfs/dbraw/zinc/27/30/95/1006273095.db2.gz KHEGQJQLLCXLSD-GHTZIAJQSA-N 1 2 362.477 2.564 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(-c4ccccc4)n3)C[C@H]21 ZINC001187849148 1006273106 /nfs/dbraw/zinc/27/31/06/1006273106.db2.gz KHEGQJQLLCXLSD-GHTZIAJQSA-N 1 2 362.477 2.564 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3nc(C)c(C)o3)C[C@H]21)OCC ZINC001188095601 1006408768 /nfs/dbraw/zinc/40/87/68/1006408768.db2.gz ODLMZGKNLHGLLZ-RCCFBDPRSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(C)c(C)o3)C[C@H]21)OCC ZINC001188095601 1006408773 /nfs/dbraw/zinc/40/87/73/1006408773.db2.gz ODLMZGKNLHGLLZ-RCCFBDPRSA-N 1 2 361.486 2.695 20 30 FFEDLO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853526807 1006428938 /nfs/dbraw/zinc/42/89/38/1006428938.db2.gz ZGVOLBLOIXEDDO-YCRPNKLZSA-N 1 2 366.465 2.525 20 30 FFEDLO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853526807 1006428950 /nfs/dbraw/zinc/42/89/50/1006428950.db2.gz ZGVOLBLOIXEDDO-YCRPNKLZSA-N 1 2 366.465 2.525 20 30 FFEDLO COC(=O)N1CCN(c2ccc(NCc3ccc(C#N)c(C)c3)c[nH+]2)CC1 ZINC000815158282 1006523284 /nfs/dbraw/zinc/52/32/84/1006523284.db2.gz RSJWCLQMTXBJHT-UHFFFAOYSA-N 1 2 365.437 2.762 20 30 FFEDLO C#CCC1(O)CCN(c2c(C(=O)OCC)c[nH+]c3ccc(OC)cc32)CC1 ZINC000882969716 1006581352 /nfs/dbraw/zinc/58/13/52/1006581352.db2.gz CUJVTIMIKJRPGK-UHFFFAOYSA-N 1 2 368.433 2.775 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nc(CC)no3)C[C@H]21 ZINC001188792917 1006714679 /nfs/dbraw/zinc/71/46/79/1006714679.db2.gz AUXURHRETBWUEE-IXDOHACOSA-N 1 2 358.486 2.809 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nc(CC)no3)C[C@H]21 ZINC001188792917 1006714687 /nfs/dbraw/zinc/71/46/87/1006714687.db2.gz AUXURHRETBWUEE-IXDOHACOSA-N 1 2 358.486 2.809 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3nnc(C)n3C3CC3)C[C@H]21 ZINC001188886221 1006786465 /nfs/dbraw/zinc/78/64/65/1006786465.db2.gz UYXDQVIXIRQNQH-QILLFSRXSA-N 1 2 357.502 2.556 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(C)n3C3CC3)C[C@H]21 ZINC001188886221 1006786470 /nfs/dbraw/zinc/78/64/70/1006786470.db2.gz UYXDQVIXIRQNQH-QILLFSRXSA-N 1 2 357.502 2.556 20 30 FFEDLO C=C(Cl)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110696901 1007096779 /nfs/dbraw/zinc/09/67/79/1007096779.db2.gz QAWZEZSEUACFCP-NCOADZHNSA-N 1 2 350.894 2.944 20 30 FFEDLO C=CCOc1ccc(/C=C\C(=O)OCC[N@@H+]2CCO[C@H](C)C2)cc1OC ZINC000800080060 1007163183 /nfs/dbraw/zinc/16/31/83/1007163183.db2.gz PCNWRRICTICICE-QKIRZYONSA-N 1 2 361.438 2.537 20 30 FFEDLO C=CCOc1ccc(/C=C\C(=O)OCC[N@H+]2CCO[C@H](C)C2)cc1OC ZINC000800080060 1007163191 /nfs/dbraw/zinc/16/31/91/1007163191.db2.gz PCNWRRICTICICE-QKIRZYONSA-N 1 2 361.438 2.537 20 30 FFEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cc3ccccc3nc2OC)CC1 ZINC001137208020 1007380363 /nfs/dbraw/zinc/38/03/63/1007380363.db2.gz IIMUJRMXPQHPOI-UHFFFAOYSA-N 1 2 353.422 2.912 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000884425891 1007432712 /nfs/dbraw/zinc/43/27/12/1007432712.db2.gz VSHTYQNWPXWKIQ-AWEZNQCLSA-N 1 2 370.371 2.647 20 30 FFEDLO N#Cc1cccc(CC(=O)OCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000817184537 1007465429 /nfs/dbraw/zinc/46/54/29/1007465429.db2.gz NNZWGGYLKBIZDQ-UHFFFAOYSA-N 1 2 350.418 2.676 20 30 FFEDLO Cc1cc(C(N)=NOCc2cccc(C[NH+]3CCOCC3)c2)ccc1F ZINC000817376364 1007569841 /nfs/dbraw/zinc/56/98/41/1007569841.db2.gz DXSHBDLLAGJUSJ-UHFFFAOYSA-N 1 2 357.429 2.803 20 30 FFEDLO Cc1cc(NS(=O)(=O)c2cc(C#N)ccc2Cl)n(-c2cc[nH+]cc2)n1 ZINC001190942773 1007840759 /nfs/dbraw/zinc/84/07/59/1007840759.db2.gz NSGDWJGXWBASFC-UHFFFAOYSA-N 1 2 373.825 2.902 20 30 FFEDLO CCCC[C@H](CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001191239021 1007946408 /nfs/dbraw/zinc/94/64/08/1007946408.db2.gz WESIBVQXQWCCHZ-KFKAGJAMSA-N 1 2 361.461 2.575 20 30 FFEDLO CCCC[C@H](CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001191239021 1007946415 /nfs/dbraw/zinc/94/64/15/1007946415.db2.gz WESIBVQXQWCCHZ-KFKAGJAMSA-N 1 2 361.461 2.575 20 30 FFEDLO CC(C)C#CC(=O)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000820034109 1008278907 /nfs/dbraw/zinc/27/89/07/1008278907.db2.gz KNBHYNJFKXIRQB-UHFFFAOYSA-N 1 2 372.494 2.534 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(C=O)ccc3F)CC2)cc1 ZINC000858217496 1008327430 /nfs/dbraw/zinc/32/74/30/1008327430.db2.gz ABFDRQGWNFQXBK-UHFFFAOYSA-N 1 2 365.408 2.858 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(C=O)ccc3F)CC2)cc1 ZINC000858217496 1008327435 /nfs/dbraw/zinc/32/74/35/1008327435.db2.gz ABFDRQGWNFQXBK-UHFFFAOYSA-N 1 2 365.408 2.858 20 30 FFEDLO COC(=O)c1ccc(C(=[NH2+])Nc2ccc([N+](=O)[O-])c3cnccc23)cc1 ZINC001170984805 1008578764 /nfs/dbraw/zinc/57/87/64/1008578764.db2.gz HJLLOEVWGFBXBB-UHFFFAOYSA-N 1 2 350.334 2.967 20 30 FFEDLO C[C@@H](NC(=O)CO[NH+]=C(N)Cc1cccnc1)c1ccc2ccccc2c1 ZINC000137647222 1008638012 /nfs/dbraw/zinc/63/80/12/1008638012.db2.gz WJOPVMOZAKSBAL-OAHLLOKOSA-N 1 2 362.433 2.944 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(F)cn2)C3)s1 ZINC001095341734 1008757644 /nfs/dbraw/zinc/75/76/44/1008757644.db2.gz PYFBYXLEIKKDJB-DQYPLSBCSA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(F)cn2)C3)s1 ZINC001095341734 1008757655 /nfs/dbraw/zinc/75/76/55/1008757655.db2.gz PYFBYXLEIKKDJB-DQYPLSBCSA-N 1 2 356.426 2.689 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cncc(OC)n2)CCCC1 ZINC001110215016 1008803511 /nfs/dbraw/zinc/80/35/11/1008803511.db2.gz VOSQMAUVXFCCLN-SQNIBIBYSA-N 1 2 370.497 2.843 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cncc(OC)n2)CCCC1 ZINC001110215016 1008803524 /nfs/dbraw/zinc/80/35/24/1008803524.db2.gz VOSQMAUVXFCCLN-SQNIBIBYSA-N 1 2 370.497 2.843 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Br)c(F)c2)C[C@H]1C ZINC001206662457 1032376324 /nfs/dbraw/zinc/37/63/24/1032376324.db2.gz KOECUKARQCZSQB-FIXISWKDSA-N 1 2 368.250 2.684 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Br)c(F)c2)C[C@H]1C ZINC001206662457 1032376335 /nfs/dbraw/zinc/37/63/35/1032376335.db2.gz KOECUKARQCZSQB-FIXISWKDSA-N 1 2 368.250 2.684 20 30 FFEDLO COC(=O)c1ccc(OC)c(C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC001137240674 1009069262 /nfs/dbraw/zinc/06/92/62/1009069262.db2.gz OIFZJTMONFBFFT-UHFFFAOYSA-N 1 2 365.433 2.676 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1C#N ZINC001274013528 1009259182 /nfs/dbraw/zinc/25/91/82/1009259182.db2.gz QWGVCBRXJUAPFM-HDICACEKSA-N 1 2 366.490 2.741 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1C#N ZINC001274013528 1009259188 /nfs/dbraw/zinc/25/91/88/1009259188.db2.gz QWGVCBRXJUAPFM-HDICACEKSA-N 1 2 366.490 2.741 20 30 FFEDLO Cc1cnccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001095385642 1009737396 /nfs/dbraw/zinc/73/73/96/1009737396.db2.gz NCQNWVGSOGKUIQ-GIVPXCGWSA-N 1 2 363.436 2.916 20 30 FFEDLO Cc1cnccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001095385642 1009737407 /nfs/dbraw/zinc/73/74/07/1009737407.db2.gz NCQNWVGSOGKUIQ-GIVPXCGWSA-N 1 2 363.436 2.916 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)c3sccc3CC#N)C2)cc1 ZINC000826611326 1009866091 /nfs/dbraw/zinc/86/60/91/1009866091.db2.gz YVPYCRGGUCSMLD-GOSISDBHSA-N 1 2 369.490 2.753 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)c3sccc3CC#N)C2)cc1 ZINC000826611326 1009866105 /nfs/dbraw/zinc/86/61/05/1009866105.db2.gz YVPYCRGGUCSMLD-GOSISDBHSA-N 1 2 369.490 2.753 20 30 FFEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)c(F)cc1F)CC2 ZINC001276494920 1032441799 /nfs/dbraw/zinc/44/17/99/1032441799.db2.gz DIDLDGPXZPWBLN-CYBMUJFWSA-N 1 2 352.812 2.970 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(OC2C[NH+](CC=C(C)C)C2)CC1 ZINC001093537371 1010338940 /nfs/dbraw/zinc/33/89/40/1010338940.db2.gz QSFHEWYODRGFDQ-UXHICEINSA-N 1 2 362.514 2.626 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001206885056 1032479669 /nfs/dbraw/zinc/47/96/69/1032479669.db2.gz RSVPTWPDBPNLIT-IEBWSBKVSA-N 1 2 355.482 2.564 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001206885056 1032479672 /nfs/dbraw/zinc/47/96/72/1032479672.db2.gz RSVPTWPDBPNLIT-IEBWSBKVSA-N 1 2 355.482 2.564 20 30 FFEDLO CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)CCc1cccc(C#N)c1)C2 ZINC001182333831 1010507549 /nfs/dbraw/zinc/50/75/49/1010507549.db2.gz CRHGHBAJGQVBAL-UHFFFAOYSA-N 1 2 365.481 2.639 20 30 FFEDLO CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)CCc1cccc(C#N)c1)C2 ZINC001182333831 1010507559 /nfs/dbraw/zinc/50/75/59/1010507559.db2.gz CRHGHBAJGQVBAL-UHFFFAOYSA-N 1 2 365.481 2.639 20 30 FFEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000120142674 1010527764 /nfs/dbraw/zinc/52/77/64/1010527764.db2.gz POZZLDIICQCQDX-KRWDZBQOSA-N 1 2 355.442 2.796 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(c2cc(F)c(C#N)cc2[N+](=O)[O-])CC1 ZINC000865538107 1010809699 /nfs/dbraw/zinc/80/96/99/1010809699.db2.gz GWIBOAIVAAUDAR-CYBMUJFWSA-N 1 2 355.373 2.884 20 30 FFEDLO O=C(NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2)c1[nH]ncc1F ZINC001094504540 1011173793 /nfs/dbraw/zinc/17/37/93/1011173793.db2.gz AXFBANWIBXUBNQ-WIYYLYMNSA-N 1 2 366.440 2.575 20 30 FFEDLO O=C(NC[C@]12CCC[C@H]1[N@@H+](CC#Cc1ccccc1)CC2)c1[nH]ncc1F ZINC001094504540 1011173796 /nfs/dbraw/zinc/17/37/96/1011173796.db2.gz AXFBANWIBXUBNQ-WIYYLYMNSA-N 1 2 366.440 2.575 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)COCC(F)F)C2 ZINC001110856385 1011239239 /nfs/dbraw/zinc/23/92/39/1011239239.db2.gz AQYOBFQVPLWQNZ-UPJWGTAASA-N 1 2 350.837 2.768 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)COCC(F)F)C2 ZINC001110856385 1011239251 /nfs/dbraw/zinc/23/92/51/1011239251.db2.gz AQYOBFQVPLWQNZ-UPJWGTAASA-N 1 2 350.837 2.768 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4[nH]nnc4c3)CCC[C@@H]12 ZINC001094575449 1011248425 /nfs/dbraw/zinc/24/84/25/1011248425.db2.gz RJIAJSRSXSGEPW-SJLPKXTDSA-N 1 2 359.861 2.685 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)c3ccc4[nH]nnc4c3)CCC[C@@H]12 ZINC001094575449 1011248438 /nfs/dbraw/zinc/24/84/38/1011248438.db2.gz RJIAJSRSXSGEPW-SJLPKXTDSA-N 1 2 359.861 2.685 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001110859703 1011254003 /nfs/dbraw/zinc/25/40/03/1011254003.db2.gz JTVUFAOIABJLKX-OAFZBRQQSA-N 1 2 363.527 2.902 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001110859703 1011254016 /nfs/dbraw/zinc/25/40/16/1011254016.db2.gz JTVUFAOIABJLKX-OAFZBRQQSA-N 1 2 363.527 2.902 20 30 FFEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171582601 1011393023 /nfs/dbraw/zinc/39/30/23/1011393023.db2.gz RGUJVTZVKCHHHI-RDBSUJKOSA-N 1 2 374.547 2.862 20 30 FFEDLO C#CCCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001274796599 1011658876 /nfs/dbraw/zinc/65/88/76/1011658876.db2.gz YKAAWJJAKBWVDK-KDURUIRLSA-N 1 2 361.530 2.504 20 30 FFEDLO C#CCCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001274796599 1011658885 /nfs/dbraw/zinc/65/88/85/1011658885.db2.gz YKAAWJJAKBWVDK-KDURUIRLSA-N 1 2 361.530 2.504 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2sc(N)c(C#N)c2Cl)C1=O ZINC001275015445 1011824055 /nfs/dbraw/zinc/82/40/55/1011824055.db2.gz JOENEMRPHABNCK-QGZVFWFLSA-N 1 2 364.902 2.998 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2sc(N)c(C#N)c2Cl)C1=O ZINC001275015445 1011824077 /nfs/dbraw/zinc/82/40/77/1011824077.db2.gz JOENEMRPHABNCK-QGZVFWFLSA-N 1 2 364.902 2.998 20 30 FFEDLO CC(C)(C)c1cccc(C[NH+]2CC3(C2)COCC(=O)N3CCCC#N)c1 ZINC001275014977 1011825466 /nfs/dbraw/zinc/82/54/66/1011825466.db2.gz SAZQZYKXAABELQ-UHFFFAOYSA-N 1 2 355.482 2.701 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1)[C@@H](C)CC ZINC001172670677 1011946598 /nfs/dbraw/zinc/94/65/98/1011946598.db2.gz JEMFTSDUJVIHKN-QRFRQXIXSA-N 1 2 358.482 2.911 20 30 FFEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)c(Cl)cc1F)CC2 ZINC001275262029 1012164533 /nfs/dbraw/zinc/16/45/33/1012164533.db2.gz WHYMNVVKWJFFNB-ZDUSSCGKSA-N 1 2 352.812 2.970 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)ccn1 ZINC001275282027 1012204715 /nfs/dbraw/zinc/20/47/15/1012204715.db2.gz LPOJMJNLTOSFKS-HUUCEWRRSA-N 1 2 350.260 2.595 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)ccn1 ZINC001275282027 1012204734 /nfs/dbraw/zinc/20/47/34/1012204734.db2.gz LPOJMJNLTOSFKS-HUUCEWRRSA-N 1 2 350.260 2.595 20 30 FFEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173043057 1012205369 /nfs/dbraw/zinc/20/53/69/1012205369.db2.gz DQDUMYCGZBQWHW-LJQANCHMSA-N 1 2 356.466 2.971 20 30 FFEDLO COc1cccc([C@H]2CN(C(=O)[C@@H](C)Cc3ccc(C#N)cc3)CC[NH2+]2)c1 ZINC000870154304 1012215797 /nfs/dbraw/zinc/21/57/97/1012215797.db2.gz JFRMZNIMJWZCLE-HRAATJIYSA-N 1 2 363.461 2.919 20 30 FFEDLO CCOCCN1CC[C@]2(CCC[N@@H+]2Cc2cccc(C#N)c2Cl)C1=O ZINC001275308882 1012267512 /nfs/dbraw/zinc/26/75/12/1012267512.db2.gz PFPHDZVZYCOLGA-LJQANCHMSA-N 1 2 361.873 2.815 20 30 FFEDLO CCOCCN1CC[C@]2(CCC[N@H+]2Cc2cccc(C#N)c2Cl)C1=O ZINC001275308882 1012267531 /nfs/dbraw/zinc/26/75/31/1012267531.db2.gz PFPHDZVZYCOLGA-LJQANCHMSA-N 1 2 361.873 2.815 20 30 FFEDLO C=CCCCCCC[NH+]1CC2(C1)CN(Cc1c(C)noc1C)C(=O)CO2 ZINC001275329035 1012309809 /nfs/dbraw/zinc/30/98/09/1012309809.db2.gz KJZPCSBBOBDGJY-UHFFFAOYSA-N 1 2 361.486 2.841 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccncc2)C3)ccc1F ZINC001095100966 1012417527 /nfs/dbraw/zinc/41/75/27/1012417527.db2.gz YHUWWSQHGIUBNG-NEWSRXKRSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccncc2)C3)ccc1F ZINC001095100966 1012417531 /nfs/dbraw/zinc/41/75/31/1012417531.db2.gz YHUWWSQHGIUBNG-NEWSRXKRSA-N 1 2 350.397 2.628 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2CCc2c(Cl)ncnc2Cl)C1=O ZINC001275532711 1012584480 /nfs/dbraw/zinc/58/44/80/1012584480.db2.gz QHYHGMIRIFUCSP-KRWDZBQOSA-N 1 2 369.296 2.969 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2CCc2c(Cl)ncnc2Cl)C1=O ZINC001275532711 1012584485 /nfs/dbraw/zinc/58/44/85/1012584485.db2.gz QHYHGMIRIFUCSP-KRWDZBQOSA-N 1 2 369.296 2.969 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccc(N(CC)CC)cc1)C2 ZINC001275599044 1012670042 /nfs/dbraw/zinc/67/00/42/1012670042.db2.gz WXPGORQXLGCCNV-UHFFFAOYSA-N 1 2 357.498 2.522 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(F)cccc1F)C2 ZINC001275662780 1012790056 /nfs/dbraw/zinc/79/00/56/1012790056.db2.gz SYMGTSNWTBMZHO-IBGZPJMESA-N 1 2 350.409 2.592 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c(F)cccc1F)C2 ZINC001275662780 1012790068 /nfs/dbraw/zinc/79/00/68/1012790068.db2.gz SYMGTSNWTBMZHO-IBGZPJMESA-N 1 2 350.409 2.592 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cscn2)C3)ccc1F ZINC001095235423 1012805415 /nfs/dbraw/zinc/80/54/15/1012805415.db2.gz USHOVKVMGTWOCM-KMFMINBZSA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cscn2)C3)ccc1F ZINC001095235423 1012805437 /nfs/dbraw/zinc/80/54/37/1012805437.db2.gz USHOVKVMGTWOCM-KMFMINBZSA-N 1 2 356.426 2.689 20 30 FFEDLO Cc1[nH]nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)c1C ZINC001095244653 1012838215 /nfs/dbraw/zinc/83/82/15/1012838215.db2.gz NPRFYQZFEKOCNP-QYZOEREBSA-N 1 2 366.440 2.552 20 30 FFEDLO Cc1[nH]nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)c1C ZINC001095244653 1012838231 /nfs/dbraw/zinc/83/82/31/1012838231.db2.gz NPRFYQZFEKOCNP-QYZOEREBSA-N 1 2 366.440 2.552 20 30 FFEDLO CC(C)c1ccc(CC[NH+]2CC3(C2)CN(CCCC#N)C(=O)CO3)cc1 ZINC001275752475 1012961747 /nfs/dbraw/zinc/96/17/47/1012961747.db2.gz DYRCVPSOFOOWOV-UHFFFAOYSA-N 1 2 355.482 2.569 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccncc2F)C3)c1 ZINC001095261413 1012993309 /nfs/dbraw/zinc/99/33/09/1012993309.db2.gz UAIVIJZMWHEHJX-CCKFTAQKSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccncc2F)C3)c1 ZINC001095261413 1012993318 /nfs/dbraw/zinc/99/33/18/1012993318.db2.gz UAIVIJZMWHEHJX-CCKFTAQKSA-N 1 2 368.387 2.767 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)nc1C ZINC001095727498 1017161039 /nfs/dbraw/zinc/16/10/39/1017161039.db2.gz CNQLZGMTSJAMFQ-HKBOAZHASA-N 1 2 374.488 2.789 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)nc1C ZINC001095727498 1017161043 /nfs/dbraw/zinc/16/10/43/1017161043.db2.gz CNQLZGMTSJAMFQ-HKBOAZHASA-N 1 2 374.488 2.789 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCN1c1cccc(F)c1C#N ZINC001050988951 1017192969 /nfs/dbraw/zinc/19/29/69/1017192969.db2.gz PIAKIIYQQCUXBB-WWGRRREGSA-N 1 2 367.428 2.624 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1C ZINC001051135830 1017236707 /nfs/dbraw/zinc/23/67/07/1017236707.db2.gz LGDIXBVILPKWLF-BDXSIMOUSA-N 1 2 372.513 2.973 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnn1CC(F)(F)F)C2 ZINC001097281393 1017295779 /nfs/dbraw/zinc/29/57/79/1017295779.db2.gz JQMKSEISGPXUNJ-UTUOFQBUSA-N 1 2 362.783 2.533 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnn1CC(F)(F)F)C2 ZINC001097281393 1017295782 /nfs/dbraw/zinc/29/57/82/1017295782.db2.gz JQMKSEISGPXUNJ-UTUOFQBUSA-N 1 2 362.783 2.533 20 30 FFEDLO Cc1cc(C)c(C(=O)N[C@H]2CCN(c3ncc(C#N)cc3F)[C@@H]2C)c(C)[nH+]1 ZINC001051300930 1017308583 /nfs/dbraw/zinc/30/85/83/1017308583.db2.gz ZODWRJGHJWCWBH-PBHICJAKSA-N 1 2 367.428 2.810 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3cc[nH]c3c1)C2 ZINC001097303916 1017310054 /nfs/dbraw/zinc/31/00/54/1017310054.db2.gz WPPXQDPRBOAEAO-UIFIKXQLSA-N 1 2 371.444 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3cc[nH]c3c1)C2 ZINC001097303916 1017310064 /nfs/dbraw/zinc/31/00/64/1017310064.db2.gz WPPXQDPRBOAEAO-UIFIKXQLSA-N 1 2 371.444 2.970 20 30 FFEDLO C=CCCC[C@@H]1NC(=O)N([C@H](Cc2[nH+]ccn2C)c2ccccc2)C1=O ZINC000924561238 1017356328 /nfs/dbraw/zinc/35/63/28/1017356328.db2.gz SKXOXYWBDGAUMC-DLBZAZTESA-N 1 2 352.438 2.981 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3ccc(F)cc3O1)C2 ZINC001097546337 1017590691 /nfs/dbraw/zinc/59/06/91/1017590691.db2.gz JWACYERXNCNIME-NCOADZHNSA-N 1 2 364.848 2.993 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3ccc(F)cc3O1)C2 ZINC001097546337 1017590699 /nfs/dbraw/zinc/59/06/99/1017590699.db2.gz JWACYERXNCNIME-NCOADZHNSA-N 1 2 364.848 2.993 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)c1cc(F)c[nH]1 ZINC001097560435 1017621794 /nfs/dbraw/zinc/62/17/94/1017621794.db2.gz RNEMJPKEHICFGO-LMMKCTJWSA-N 1 2 355.388 2.680 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)c1cc(F)c[nH]1 ZINC001097560435 1017621801 /nfs/dbraw/zinc/62/18/01/1017621801.db2.gz RNEMJPKEHICFGO-LMMKCTJWSA-N 1 2 355.388 2.680 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c(C)nc(CC)nc1C)C2 ZINC001097562412 1017626028 /nfs/dbraw/zinc/62/60/28/1017626028.db2.gz PJJHAUKPLWVRAG-OIISXLGYSA-N 1 2 362.905 2.672 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c(C)nc(CC)nc1C)C2 ZINC001097562412 1017626033 /nfs/dbraw/zinc/62/60/33/1017626033.db2.gz PJJHAUKPLWVRAG-OIISXLGYSA-N 1 2 362.905 2.672 20 30 FFEDLO C=CCCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(F)c3F)C[C@H]21 ZINC001222064194 1032725739 /nfs/dbraw/zinc/72/57/39/1032725739.db2.gz ITFXGKWHZOFDLD-RHSMWYFYSA-N 1 2 350.409 2.590 20 30 FFEDLO C=CCCOCC(=O)N1C[C@H]2CC[N@H+](Cc3cccc(F)c3F)C[C@H]21 ZINC001222064194 1032725745 /nfs/dbraw/zinc/72/57/45/1032725745.db2.gz ITFXGKWHZOFDLD-RHSMWYFYSA-N 1 2 350.409 2.590 20 30 FFEDLO C#Cc1cncc(C(=O)N2C[C@@H]3CCC[C@]3(CNc3cc[nH+]c(C)n3)C2)c1 ZINC001055684618 1017884128 /nfs/dbraw/zinc/88/41/28/1017884128.db2.gz PCZNXVUMGLKXCQ-RXVVDRJESA-N 1 2 361.449 2.516 20 30 FFEDLO COc1cc(C(=O)/C=C\c2c[nH+]c3cccc(C)n23)ccc1S(C)(=O)=O ZINC000748999448 1017930274 /nfs/dbraw/zinc/93/02/74/1017930274.db2.gz XYLHGZAOSZIQHO-HJWRWDBZSA-N 1 2 370.430 2.951 20 30 FFEDLO CCc1ncoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001097812710 1017976453 /nfs/dbraw/zinc/97/64/53/1017976453.db2.gz YEFVXPMDZWYJEF-OLMNPRSZSA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1ncoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001097812710 1017976460 /nfs/dbraw/zinc/97/64/60/1017976460.db2.gz YEFVXPMDZWYJEF-OLMNPRSZSA-N 1 2 368.412 2.783 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001097871277 1018107535 /nfs/dbraw/zinc/10/75/35/1018107535.db2.gz QCXQDNYRPBTNAW-SBUWESJJSA-N 1 2 372.896 2.838 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001097871277 1018107542 /nfs/dbraw/zinc/10/75/42/1018107542.db2.gz QCXQDNYRPBTNAW-SBUWESJJSA-N 1 2 372.896 2.838 20 30 FFEDLO C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CCNc2ncccc2C#N)C1)n1cc[nH+]c1 ZINC001053533924 1018355022 /nfs/dbraw/zinc/35/50/22/1018355022.db2.gz RBCNGHPQEQBSMI-SOLBZPMBSA-N 1 2 366.469 2.698 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001058090603 1018472213 /nfs/dbraw/zinc/47/22/13/1018472213.db2.gz GRDCZNRZWMVGAA-HKUYNNGSSA-N 1 2 358.486 2.584 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001058256004 1018691008 /nfs/dbraw/zinc/69/10/08/1018691008.db2.gz JKQJQSHUQCRSAZ-KSZLIROESA-N 1 2 370.497 2.729 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001042575752 1019075259 /nfs/dbraw/zinc/07/52/59/1019075259.db2.gz RCOCWEUQQLLSNH-TWILYEHCSA-N 1 2 370.497 2.585 20 30 FFEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)CCOCC1 ZINC001096178070 1019106707 /nfs/dbraw/zinc/10/67/07/1019106707.db2.gz DIOAIDOVCDZDDJ-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)CCOCC1 ZINC001096178070 1019106717 /nfs/dbraw/zinc/10/67/17/1019106717.db2.gz DIOAIDOVCDZDDJ-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO Cc1n[nH]c(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001096183377 1019205778 /nfs/dbraw/zinc/20/57/78/1019205778.db2.gz BDNMGHNJLXTDOQ-QYZOEREBSA-N 1 2 366.440 2.552 20 30 FFEDLO Cc1n[nH]c(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001096183377 1019205788 /nfs/dbraw/zinc/20/57/88/1019205788.db2.gz BDNMGHNJLXTDOQ-QYZOEREBSA-N 1 2 366.440 2.552 20 30 FFEDLO C[C@@H](C#N)OCCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000801655427 1019217515 /nfs/dbraw/zinc/21/75/15/1019217515.db2.gz ZEZSCCBWPRHYNS-INIZCTEOSA-N 1 2 371.510 2.943 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)ccn1 ZINC001098070503 1019307937 /nfs/dbraw/zinc/30/79/37/1019307937.db2.gz WFBNWCHBHLLMDS-RLLQIKCJSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)ccn1 ZINC001098070503 1019307949 /nfs/dbraw/zinc/30/79/49/1019307949.db2.gz WFBNWCHBHLLMDS-RLLQIKCJSA-N 1 2 364.424 2.936 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccc(F)cc1 ZINC001110964273 1019323233 /nfs/dbraw/zinc/32/32/33/1019323233.db2.gz BWFDZFYLLCMLKD-QRVBRYPASA-N 1 2 373.472 2.520 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccc(F)cc1 ZINC001110964273 1019323246 /nfs/dbraw/zinc/32/32/46/1019323246.db2.gz BWFDZFYLLCMLKD-QRVBRYPASA-N 1 2 373.472 2.520 20 30 FFEDLO CCn1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)c1C ZINC001098090546 1019428405 /nfs/dbraw/zinc/42/84/05/1019428405.db2.gz RYKZGCVQRRKWJI-XWIAVFTESA-N 1 2 369.494 2.680 20 30 FFEDLO CCn1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)c1C ZINC001098090546 1019428414 /nfs/dbraw/zinc/42/84/14/1019428414.db2.gz RYKZGCVQRRKWJI-XWIAVFTESA-N 1 2 369.494 2.680 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(F)ccc1OC)C2 ZINC001096221382 1019449663 /nfs/dbraw/zinc/44/96/63/1019449663.db2.gz KJDLTZGVKAMEKD-PMPSAXMXSA-N 1 2 352.837 2.851 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(F)ccc1OC)C2 ZINC001096221382 1019449666 /nfs/dbraw/zinc/44/96/66/1019449666.db2.gz KJDLTZGVKAMEKD-PMPSAXMXSA-N 1 2 352.837 2.851 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)o1 ZINC001096230762 1019507654 /nfs/dbraw/zinc/50/76/54/1019507654.db2.gz GBVMANZTFXJVBW-PVAVHDDUSA-N 1 2 369.396 2.834 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)o1 ZINC001096230762 1019507667 /nfs/dbraw/zinc/50/76/67/1019507667.db2.gz GBVMANZTFXJVBW-PVAVHDDUSA-N 1 2 369.396 2.834 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CCCCC2)CC1 ZINC001095970577 1019654514 /nfs/dbraw/zinc/65/45/14/1019654514.db2.gz QFDSGJFEJKXZKE-AABGKKOBSA-N 1 2 373.541 2.903 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CCCCC2)CC1 ZINC001095970577 1019654519 /nfs/dbraw/zinc/65/45/19/1019654519.db2.gz QFDSGJFEJKXZKE-AABGKKOBSA-N 1 2 373.541 2.903 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)sc2C)c1 ZINC001095987787 1019695409 /nfs/dbraw/zinc/69/54/09/1019695409.db2.gz LURXYTFIYQJNSM-AOIWGVFYSA-N 1 2 366.490 2.672 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)sc2C)c1 ZINC001095987787 1019695415 /nfs/dbraw/zinc/69/54/15/1019695415.db2.gz LURXYTFIYQJNSM-AOIWGVFYSA-N 1 2 366.490 2.672 20 30 FFEDLO C[C@@H](c1cccc(NC(=O)NCc2nc(C#N)cs2)c1)[NH+]1CCOCC1 ZINC000930229209 1019934977 /nfs/dbraw/zinc/93/49/77/1019934977.db2.gz QYIFEKONWWUIDL-ZDUSSCGKSA-N 1 2 371.466 2.730 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001110988898 1020019767 /nfs/dbraw/zinc/01/97/67/1020019767.db2.gz AABRRJOBKHVNIN-QSNWEANLSA-N 1 2 373.541 2.615 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001110988898 1020019781 /nfs/dbraw/zinc/01/97/81/1020019781.db2.gz AABRRJOBKHVNIN-QSNWEANLSA-N 1 2 373.541 2.615 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC(C)(C)C ZINC001110989293 1020020699 /nfs/dbraw/zinc/02/06/99/1020020699.db2.gz KGVKASPIDQMJOK-VWXURSGXSA-N 1 2 363.546 2.863 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC(C)(C)C ZINC001110989293 1020020710 /nfs/dbraw/zinc/02/07/10/1020020710.db2.gz KGVKASPIDQMJOK-VWXURSGXSA-N 1 2 363.546 2.863 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccncc1Cl ZINC001096034868 1020022572 /nfs/dbraw/zinc/02/25/72/1020022572.db2.gz ZXXQJOAVELFZDD-SSGTUYFUSA-N 1 2 361.873 2.548 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccncc1Cl ZINC001096034868 1020022580 /nfs/dbraw/zinc/02/25/80/1020022580.db2.gz ZXXQJOAVELFZDD-SSGTUYFUSA-N 1 2 361.873 2.548 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001490896291 1020117649 /nfs/dbraw/zinc/11/76/49/1020117649.db2.gz VARPUYQSPXGGHK-YWZLYKJASA-N 1 2 352.438 2.640 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)c2ccco2)C1 ZINC001111002151 1020278050 /nfs/dbraw/zinc/27/80/50/1020278050.db2.gz XGBBCKDOJJRLOO-HZMVEIRTSA-N 1 2 371.481 2.535 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)c2ccco2)C1 ZINC001111002151 1020278061 /nfs/dbraw/zinc/27/80/61/1020278061.db2.gz XGBBCKDOJJRLOO-HZMVEIRTSA-N 1 2 371.481 2.535 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc4cccnc43)n2CC(C)C)CC1 ZINC000802674009 1020315651 /nfs/dbraw/zinc/31/56/51/1020315651.db2.gz PNXBUFSWULZLEM-UHFFFAOYSA-N 1 2 374.492 2.905 20 30 FFEDLO O=C1C=COC2(CC[NH+](Cn3cc(-c4ccccc4[N+](=O)[O-])cn3)CC2)C1 ZINC000902610350 1020334935 /nfs/dbraw/zinc/33/49/35/1020334935.db2.gz WQZZUYWEGTUGLS-UHFFFAOYSA-N 1 2 368.393 2.754 20 30 FFEDLO C#CC1(O)CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000931144461 1020346390 /nfs/dbraw/zinc/34/63/90/1020346390.db2.gz SLKUYMRDCRJPNC-LJQANCHMSA-N 1 2 372.465 2.553 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C/Cl)C2 ZINC001073051106 1020354649 /nfs/dbraw/zinc/35/46/49/1020354649.db2.gz ODFCXPMEOWRBBJ-ROWADEJNSA-N 1 2 359.297 2.821 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001073051106 1020354658 /nfs/dbraw/zinc/35/46/58/1020354658.db2.gz ODFCXPMEOWRBBJ-ROWADEJNSA-N 1 2 359.297 2.821 20 30 FFEDLO Cc1nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)ccc1C#N ZINC001046166413 1020514000 /nfs/dbraw/zinc/51/40/00/1020514000.db2.gz JQSBHMVIIXMWJX-QBPKDAKJSA-N 1 2 364.453 2.628 20 30 FFEDLO Cc1nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccc1C#N ZINC001046166413 1020514007 /nfs/dbraw/zinc/51/40/07/1020514007.db2.gz JQSBHMVIIXMWJX-QBPKDAKJSA-N 1 2 364.453 2.628 20 30 FFEDLO Cc1ccc(C#N)c(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001046165967 1020514771 /nfs/dbraw/zinc/51/47/71/1020514771.db2.gz BJYSOLKLVCGGQR-QBPKDAKJSA-N 1 2 364.453 2.628 20 30 FFEDLO Cc1ccc(C#N)c(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC001046165967 1020514781 /nfs/dbraw/zinc/51/47/81/1020514781.db2.gz BJYSOLKLVCGGQR-QBPKDAKJSA-N 1 2 364.453 2.628 20 30 FFEDLO CC#CC[NH2+]Cc1cn(Cc2cncc(-c3cc(F)ccc3OC)c2)nn1 ZINC000900634747 1020557063 /nfs/dbraw/zinc/55/70/63/1020557063.db2.gz CQBBGAQFCZVYAV-UHFFFAOYSA-N 1 2 365.412 2.649 20 30 FFEDLO Cc1nc([C@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)no1 ZINC000931944479 1020639147 /nfs/dbraw/zinc/63/91/47/1020639147.db2.gz HFKGEYLFZCALOJ-HOCLYGCPSA-N 1 2 353.426 2.503 20 30 FFEDLO Cc1nc([C@H]2CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)no1 ZINC000931944479 1020639151 /nfs/dbraw/zinc/63/91/51/1020639151.db2.gz HFKGEYLFZCALOJ-HOCLYGCPSA-N 1 2 353.426 2.503 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2CC1 ZINC001074338698 1020642195 /nfs/dbraw/zinc/64/21/95/1020642195.db2.gz LAOTXQXIDDQGBD-XMTFNYHQSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2CC1 ZINC001074338698 1020642203 /nfs/dbraw/zinc/64/22/03/1020642203.db2.gz LAOTXQXIDDQGBD-XMTFNYHQSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC001074344834 1020643320 /nfs/dbraw/zinc/64/33/20/1020643320.db2.gz WIGFBAAHWFCIEC-XMTFNYHQSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC001074344834 1020643322 /nfs/dbraw/zinc/64/33/22/1020643322.db2.gz WIGFBAAHWFCIEC-XMTFNYHQSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CCN(c3[nH+]cnc4c3cnn4C)[C@@H]2CC)CC1 ZINC001048972395 1020652091 /nfs/dbraw/zinc/65/20/91/1020652091.db2.gz IVTMCCFLHBACNO-DLBZAZTESA-N 1 2 368.485 2.583 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CCN1c1ccc(C#N)nc1 ZINC001049086053 1020729095 /nfs/dbraw/zinc/72/90/95/1020729095.db2.gz VJMLULKEPSESQH-PKOBYXMFSA-N 1 2 360.421 2.617 20 30 FFEDLO CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1)c1c[nH]cn1 ZINC001098217662 1020736711 /nfs/dbraw/zinc/73/67/11/1020736711.db2.gz FCNPWVCJDHRAFZ-WQVCFCJDSA-N 1 2 369.494 2.542 20 30 FFEDLO CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1)c1c[nH]cn1 ZINC001098217662 1020736715 /nfs/dbraw/zinc/73/67/15/1020736715.db2.gz FCNPWVCJDHRAFZ-WQVCFCJDSA-N 1 2 369.494 2.542 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)no1 ZINC001098243446 1020758598 /nfs/dbraw/zinc/75/85/98/1020758598.db2.gz TXUIVKWHZLLWPQ-JGFGOQIWSA-N 1 2 356.451 2.705 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)no1 ZINC001098243446 1020758606 /nfs/dbraw/zinc/75/86/06/1020758606.db2.gz TXUIVKWHZLLWPQ-JGFGOQIWSA-N 1 2 356.451 2.705 20 30 FFEDLO N#Cc1cc(C[NH+]2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)ccc1F ZINC000932513091 1020822346 /nfs/dbraw/zinc/82/23/46/1020822346.db2.gz FVADCFSGDZGZQJ-UHFFFAOYSA-N 1 2 351.385 2.601 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](CC(=C)Br)[C@H]2C1 ZINC001222392446 1032934699 /nfs/dbraw/zinc/93/46/99/1032934699.db2.gz DUDQNSDHHSDJIO-XHSDSOJGSA-N 1 2 371.319 2.799 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](CC(=C)Br)[C@H]2C1 ZINC001222392446 1032934709 /nfs/dbraw/zinc/93/47/09/1032934709.db2.gz DUDQNSDHHSDJIO-XHSDSOJGSA-N 1 2 371.319 2.799 20 30 FFEDLO Cc1noc(C[C@@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000933569571 1021034020 /nfs/dbraw/zinc/03/40/20/1021034020.db2.gz KRKLCNZMYNDHJS-ZDUSSCGKSA-N 1 2 373.844 2.796 20 30 FFEDLO Cc1noc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000933569571 1021034025 /nfs/dbraw/zinc/03/40/25/1021034025.db2.gz KRKLCNZMYNDHJS-ZDUSSCGKSA-N 1 2 373.844 2.796 20 30 FFEDLO Cc1noc(C[C@H]2CCC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)n1 ZINC000933568465 1021034062 /nfs/dbraw/zinc/03/40/62/1021034062.db2.gz DKIXEIZZNWHMCZ-CYBMUJFWSA-N 1 2 373.844 2.796 20 30 FFEDLO Cc1noc(C[C@H]2CCC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)n1 ZINC000933568465 1021034068 /nfs/dbraw/zinc/03/40/68/1021034068.db2.gz DKIXEIZZNWHMCZ-CYBMUJFWSA-N 1 2 373.844 2.796 20 30 FFEDLO CC(C)(C)OC(=O)N1CC(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)C1 ZINC000933627445 1021053937 /nfs/dbraw/zinc/05/39/37/1021053937.db2.gz GGNLAPRMDQGABH-SFHVURJKSA-N 1 2 357.454 2.798 20 30 FFEDLO CC(C)(C)OC(=O)N1CC(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)C1 ZINC000933627445 1021053940 /nfs/dbraw/zinc/05/39/40/1021053940.db2.gz GGNLAPRMDQGABH-SFHVURJKSA-N 1 2 357.454 2.798 20 30 FFEDLO O=C1C=COC2(CC[NH+](Cc3ccn(CCc4ccccc4)n3)CC2)C1 ZINC000933647999 1021057166 /nfs/dbraw/zinc/05/71/66/1021057166.db2.gz OOPRIQZIBHUHBD-UHFFFAOYSA-N 1 2 351.450 2.964 20 30 FFEDLO O=C(C[NH+]1CCC2(CC1)CC(=O)C=CO2)Nc1ccc(N2CCCC2)cc1 ZINC000933649266 1021058403 /nfs/dbraw/zinc/05/84/03/1021058403.db2.gz GEVJVTTZJYXOMF-UHFFFAOYSA-N 1 2 369.465 2.563 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933650556 1021059165 /nfs/dbraw/zinc/05/91/65/1021059165.db2.gz ROKROGMTQRXRND-HNNXBMFYSA-N 1 2 358.438 2.668 20 30 FFEDLO C[N@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)Cc1cc(C#N)cs1 ZINC000933776791 1021088080 /nfs/dbraw/zinc/08/80/80/1021088080.db2.gz AHQXIDMYIROFET-INIZCTEOSA-N 1 2 368.506 2.694 20 30 FFEDLO C[N@@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)Cc1cc(C#N)cs1 ZINC000933776791 1021088085 /nfs/dbraw/zinc/08/80/85/1021088085.db2.gz AHQXIDMYIROFET-INIZCTEOSA-N 1 2 368.506 2.694 20 30 FFEDLO C[N@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)Cc1cc(C#N)cs1 ZINC000933778723 1021089414 /nfs/dbraw/zinc/08/94/14/1021089414.db2.gz RQCGSYAPVSGYDW-GOSISDBHSA-N 1 2 373.453 2.791 20 30 FFEDLO C[N@@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)Cc1cc(C#N)cs1 ZINC000933778723 1021089422 /nfs/dbraw/zinc/08/94/22/1021089422.db2.gz RQCGSYAPVSGYDW-GOSISDBHSA-N 1 2 373.453 2.791 20 30 FFEDLO Nc1ccc(C=[NH+]Nc2ccc(S(=O)(=O)NC3CC3)cc2)cc1Cl ZINC001116365967 1021181286 /nfs/dbraw/zinc/18/12/86/1021181286.db2.gz UWXNHUVWDOFHEP-UHFFFAOYSA-N 1 2 364.858 2.809 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2nnc(C)s2)C3)cc1 ZINC001098969432 1021502373 /nfs/dbraw/zinc/50/23/73/1021502373.db2.gz KTKIMPGZZVRQNR-PXNSSMCTSA-N 1 2 366.490 2.612 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2nnc(C)s2)C3)cc1 ZINC001098969432 1021502380 /nfs/dbraw/zinc/50/23/80/1021502380.db2.gz KTKIMPGZZVRQNR-PXNSSMCTSA-N 1 2 366.490 2.612 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2nn(CC)nc2C)C3)CC1 ZINC001099012447 1021589683 /nfs/dbraw/zinc/58/96/83/1021589683.db2.gz BEFLIUVFNLVOTQ-RXVVDRJESA-N 1 2 371.529 2.824 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2nn(CC)nc2C)C3)CC1 ZINC001099012447 1021589698 /nfs/dbraw/zinc/58/96/98/1021589698.db2.gz BEFLIUVFNLVOTQ-RXVVDRJESA-N 1 2 371.529 2.824 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccsc2Br)C1=O ZINC001276773321 1033018548 /nfs/dbraw/zinc/01/85/48/1033018548.db2.gz CTNADFKRSLOTIO-OAHLLOKOSA-N 1 2 353.285 2.711 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccsc2Br)C1=O ZINC001276773321 1033018558 /nfs/dbraw/zinc/01/85/58/1033018558.db2.gz CTNADFKRSLOTIO-OAHLLOKOSA-N 1 2 353.285 2.711 20 30 FFEDLO CC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)CC1 ZINC001099257323 1022177432 /nfs/dbraw/zinc/17/74/32/1022177432.db2.gz XDUXLUULHOTYGU-HUUCEWRRSA-N 1 2 369.362 2.976 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC001118845218 1022433754 /nfs/dbraw/zinc/43/37/54/1022433754.db2.gz PAARUQFCOBSNLO-CTNGQTDRSA-N 1 2 350.418 2.756 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC001118845218 1022433757 /nfs/dbraw/zinc/43/37/57/1022433757.db2.gz PAARUQFCOBSNLO-CTNGQTDRSA-N 1 2 350.418 2.756 20 30 FFEDLO N#Cc1ccccc1OCC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000157962393 1022468345 /nfs/dbraw/zinc/46/83/45/1022468345.db2.gz MSMLPEJSUHVVQC-VQTJNVASSA-N 1 2 352.434 2.762 20 30 FFEDLO N#Cc1ccccc1OCC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000157962393 1022468351 /nfs/dbraw/zinc/46/83/51/1022468351.db2.gz MSMLPEJSUHVVQC-VQTJNVASSA-N 1 2 352.434 2.762 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CC4)s3)[C@H]2C1 ZINC001222617722 1033076922 /nfs/dbraw/zinc/07/69/22/1033076922.db2.gz KZOFWGLBEBKPSI-ZBFHGGJFSA-N 1 2 358.511 2.642 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)s3)[C@H]2C1 ZINC001222617722 1033076939 /nfs/dbraw/zinc/07/69/39/1033076939.db2.gz KZOFWGLBEBKPSI-ZBFHGGJFSA-N 1 2 358.511 2.642 20 30 FFEDLO C[C@H]1[C@@H](Nc2cccc(F)c2C#N)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001040248816 1022809181 /nfs/dbraw/zinc/80/91/81/1022809181.db2.gz HGNWAZKENLROFO-CFAJVAMVSA-N 1 2 367.428 2.636 20 30 FFEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](C[C@H](O)c2cccc(F)c2)CC1 ZINC000780319160 1022854795 /nfs/dbraw/zinc/85/47/95/1022854795.db2.gz MPLTVXRRBAFLHA-UXHICEINSA-N 1 2 357.404 2.881 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCC([C@@H]3OCC[C@H]3Nc3cc[nH+]c(C)n3)CC2)C1 ZINC001040471747 1022870720 /nfs/dbraw/zinc/87/07/20/1022870720.db2.gz KBHZETIENLOHBJ-MJGOQNOKSA-N 1 2 370.497 2.949 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095792483 1022884847 /nfs/dbraw/zinc/88/48/47/1022884847.db2.gz XCYUIWJYBVBBAA-SLHNCBLASA-N 1 2 353.466 2.595 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095792483 1022884860 /nfs/dbraw/zinc/88/48/60/1022884860.db2.gz XCYUIWJYBVBBAA-SLHNCBLASA-N 1 2 353.466 2.595 20 30 FFEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3cccnc3Br)CC2)nc1 ZINC001137799440 1033103827 /nfs/dbraw/zinc/10/38/27/1033103827.db2.gz XZAHRWJLAALNCY-UHFFFAOYSA-N 1 2 372.270 2.823 20 30 FFEDLO N#Cc1ccc(N2CCC[N@H+](Cc3cccnc3Br)CC2)nc1 ZINC001137799440 1033103833 /nfs/dbraw/zinc/10/38/33/1033103833.db2.gz XZAHRWJLAALNCY-UHFFFAOYSA-N 1 2 372.270 2.823 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](C(C)C)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001122394337 1023239575 /nfs/dbraw/zinc/23/95/75/1023239575.db2.gz AESDSBUINASFKN-ZWOKBUDYSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](C(C)C)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001122394337 1023239580 /nfs/dbraw/zinc/23/95/80/1023239580.db2.gz AESDSBUINASFKN-ZWOKBUDYSA-N 1 2 361.534 2.638 20 30 FFEDLO COC(=O)[C@H]1[NH2+]CC[C@H]1Oc1nc(-c2ccc(Cl)cc2)ccc1C#N ZINC001218346077 1033116646 /nfs/dbraw/zinc/11/66/46/1033116646.db2.gz FJNAFIQPVBOHLC-CVEARBPZSA-N 1 2 357.797 2.556 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCN(c2cccs2)CC1 ZINC001122487591 1023299577 /nfs/dbraw/zinc/29/95/77/1023299577.db2.gz CRAMXFUOKTURTJ-UHFFFAOYSA-N 1 2 372.542 2.838 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(C)Cc1cccc(C#N)c1 ZINC001122488467 1023301261 /nfs/dbraw/zinc/30/12/61/1023301261.db2.gz YTABIBQZKNNFNW-UHFFFAOYSA-N 1 2 350.470 2.958 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001122538715 1023327158 /nfs/dbraw/zinc/32/71/58/1023327158.db2.gz CHXNVMYTQBWYLV-MHORFTMASA-N 1 2 359.518 2.872 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001122538715 1023327165 /nfs/dbraw/zinc/32/71/65/1023327165.db2.gz CHXNVMYTQBWYLV-MHORFTMASA-N 1 2 359.518 2.872 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000829366900 1033124249 /nfs/dbraw/zinc/12/42/49/1033124249.db2.gz RFMYJWXGKOCIME-PZJWPPBQSA-N 1 2 350.418 2.538 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000829366900 1033124255 /nfs/dbraw/zinc/12/42/55/1033124255.db2.gz RFMYJWXGKOCIME-PZJWPPBQSA-N 1 2 350.418 2.538 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCCCCCC1 ZINC001122568066 1023343788 /nfs/dbraw/zinc/34/37/88/1023343788.db2.gz WLBDLPDBLWVJLF-UHFFFAOYSA-N 1 2 361.534 2.829 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(cccc3C)o1)C2 ZINC001111477846 1023383831 /nfs/dbraw/zinc/38/38/31/1023383831.db2.gz BJQFWBCBXQYMAQ-NXHRZFHOSA-N 1 2 352.434 2.726 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(cccc3C)o1)C2 ZINC001111477846 1023383837 /nfs/dbraw/zinc/38/38/37/1023383837.db2.gz BJQFWBCBXQYMAQ-NXHRZFHOSA-N 1 2 352.434 2.726 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000753831179 1023388560 /nfs/dbraw/zinc/38/85/60/1023388560.db2.gz ZDIBNSGKBHZBOC-CYBMUJFWSA-N 1 2 369.421 2.603 20 30 FFEDLO Cc1nn(Cc2ccccc2)c(C)c1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753928674 1023400266 /nfs/dbraw/zinc/40/02/66/1023400266.db2.gz LYTJPEFTHVUWEM-RTBURBONSA-N 1 2 350.470 2.742 20 30 FFEDLO C[C@H]1CC(=NN2C(=S)N=NC2[C@@H]2COc3ccccc3O2)C[N@@H+]1C1CC1 ZINC000753955454 1023405630 /nfs/dbraw/zinc/40/56/30/1023405630.db2.gz OWVJZHBFBFNMOP-ZBEGNZNMSA-N 1 2 371.466 2.540 20 30 FFEDLO C[C@H]1CC(=NN2C(=S)N=NC2[C@@H]2COc3ccccc3O2)C[N@H+]1C1CC1 ZINC000753955454 1023405636 /nfs/dbraw/zinc/40/56/36/1023405636.db2.gz OWVJZHBFBFNMOP-ZBEGNZNMSA-N 1 2 371.466 2.540 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(C)cn3)[C@H]2C1 ZINC001222751132 1033140362 /nfs/dbraw/zinc/14/03/62/1033140362.db2.gz CDIOBDDXILDKCP-MJGOQNOKSA-N 1 2 354.498 2.976 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(C)cn3)[C@H]2C1 ZINC001222751132 1033140365 /nfs/dbraw/zinc/14/03/65/1033140365.db2.gz CDIOBDDXILDKCP-MJGOQNOKSA-N 1 2 354.498 2.976 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3CCC)[C@H]2C1 ZINC001222752162 1033142779 /nfs/dbraw/zinc/14/27/79/1033142779.db2.gz VHZUJRYENQIFHF-MJGOQNOKSA-N 1 2 371.529 2.879 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3CCC)[C@H]2C1 ZINC001222752162 1033142784 /nfs/dbraw/zinc/14/27/84/1033142784.db2.gz VHZUJRYENQIFHF-MJGOQNOKSA-N 1 2 371.529 2.879 20 30 FFEDLO C=CC1CCN(c2nnc(C[NH+]3CCCCC3)n2C[C@H]2CCOC2)CC1 ZINC001123057025 1023613613 /nfs/dbraw/zinc/61/36/13/1023613613.db2.gz XUNZUJCVCHRPFX-GOSISDBHSA-N 1 2 359.518 2.703 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1C[C@H]1CCOC1 ZINC001123103210 1023635876 /nfs/dbraw/zinc/63/58/76/1023635876.db2.gz WQLZVTKWTZPGBV-KZNAEPCWSA-N 1 2 370.501 2.605 20 30 FFEDLO Cc1cccc2c1CCN(c1nnc(C3CC[NH+](CCC#N)CC3)n1C)C2 ZINC001121324786 1023708027 /nfs/dbraw/zinc/70/80/27/1023708027.db2.gz WGLXSUNLURZMRR-UHFFFAOYSA-N 1 2 364.497 2.779 20 30 FFEDLO CCCc1nc(C(=O)OCC#Cc2csc(C[NH+]3CCOCC3)c2)co1 ZINC001123367684 1023764263 /nfs/dbraw/zinc/76/42/63/1023764263.db2.gz BNLILGLMANSAGB-UHFFFAOYSA-N 1 2 374.462 2.729 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001121533162 1023832907 /nfs/dbraw/zinc/83/29/07/1023832907.db2.gz RZTAUISOLNJFSN-UHFFFAOYSA-N 1 2 373.545 2.851 20 30 FFEDLO C=CCn1c(N2CCCC3(CCCC3)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001121608967 1023878883 /nfs/dbraw/zinc/87/88/83/1023878883.db2.gz XFFUUMVSXLQPCK-QFBILLFUSA-N 1 2 359.518 2.536 20 30 FFEDLO C=CCn1c(N2CCCC3(CCCC3)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121608967 1023878895 /nfs/dbraw/zinc/87/88/95/1023878895.db2.gz XFFUUMVSXLQPCK-QFBILLFUSA-N 1 2 359.518 2.536 20 30 FFEDLO C=CCn1c([C@@H](CC)OCC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001121644291 1023900098 /nfs/dbraw/zinc/90/00/98/1023900098.db2.gz OLLDKYQJAJMBQP-MRXNPFEDSA-N 1 2 356.474 2.673 20 30 FFEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 ZINC000758035410 1023909917 /nfs/dbraw/zinc/90/99/17/1023909917.db2.gz LPKNMDCXCKGVTD-QGPMSJSTSA-N 1 2 370.453 2.826 20 30 FFEDLO C=CCn1c(N(C)c2cc(C)cc(C)c2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121709280 1023939012 /nfs/dbraw/zinc/93/90/12/1023939012.db2.gz SECUTDSJVKDUGJ-XLIONFOSSA-N 1 2 355.486 2.760 20 30 FFEDLO C=CCn1c(N(C)c2cc(C)cc(C)c2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121709280 1023939020 /nfs/dbraw/zinc/93/90/20/1023939020.db2.gz SECUTDSJVKDUGJ-XLIONFOSSA-N 1 2 355.486 2.760 20 30 FFEDLO CC(C)n1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)c1 ZINC001095815942 1023995274 /nfs/dbraw/zinc/99/52/74/1023995274.db2.gz NPCQUGMMKYRZOC-SKDZVZGDSA-N 1 2 369.494 2.932 20 30 FFEDLO CC(C)n1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)c1 ZINC001095815942 1023995290 /nfs/dbraw/zinc/99/52/90/1023995290.db2.gz NPCQUGMMKYRZOC-SKDZVZGDSA-N 1 2 369.494 2.932 20 30 FFEDLO O=C(CCCC1CC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218498892 1033182733 /nfs/dbraw/zinc/18/27/33/1033182733.db2.gz VTWVMXPHIZDPTH-LEWJYISDSA-N 1 2 352.478 2.530 20 30 FFEDLO O=C(CCCC1CC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218498892 1033182742 /nfs/dbraw/zinc/18/27/42/1033182742.db2.gz VTWVMXPHIZDPTH-LEWJYISDSA-N 1 2 352.478 2.530 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@@H+]([C@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001101249703 1024186175 /nfs/dbraw/zinc/18/61/75/1024186175.db2.gz JJAVWVPKJRMYFK-CEQIKUNHSA-N 1 2 371.529 2.977 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@H+]([C@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001101249703 1024186184 /nfs/dbraw/zinc/18/61/84/1024186184.db2.gz JJAVWVPKJRMYFK-CEQIKUNHSA-N 1 2 371.529 2.977 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC(=O)Nc3ccccc31)C2 ZINC001095840451 1024303599 /nfs/dbraw/zinc/30/35/99/1024303599.db2.gz ZECMKVUTSRTLON-IRWJRLHMSA-N 1 2 359.857 2.586 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC(=O)Nc3ccccc31)C2 ZINC001095840451 1024303612 /nfs/dbraw/zinc/30/36/12/1024303612.db2.gz ZECMKVUTSRTLON-IRWJRLHMSA-N 1 2 359.857 2.586 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nccn3C(F)F)C[C@@]2(C)C1 ZINC001101333048 1024474090 /nfs/dbraw/zinc/47/40/90/1024474090.db2.gz GDJQFUBQAGYHDQ-BEFAXECRSA-N 1 2 364.440 2.752 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nccn3C(F)F)C[C@@]2(C)C1 ZINC001101333048 1024474095 /nfs/dbraw/zinc/47/40/95/1024474095.db2.gz GDJQFUBQAGYHDQ-BEFAXECRSA-N 1 2 364.440 2.752 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CC4)nn3C)C[C@@]2(C)C1 ZINC001101336912 1024484142 /nfs/dbraw/zinc/48/41/42/1024484142.db2.gz UWACGSGNSRIXRC-XPIZARPCSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CC4)nn3C)C[C@@]2(C)C1 ZINC001101336912 1024484147 /nfs/dbraw/zinc/48/41/47/1024484147.db2.gz UWACGSGNSRIXRC-XPIZARPCSA-N 1 2 371.529 2.575 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@H+](Cc3noc(-c4ccoc4)n3)C[C@@]2(C)C1 ZINC001101347073 1024511164 /nfs/dbraw/zinc/51/11/64/1024511164.db2.gz UVOVOWQRJYWLPB-UZLBHIALSA-N 1 2 370.453 2.966 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3noc(-c4ccoc4)n3)C[C@@]2(C)C1 ZINC001101347073 1024511185 /nfs/dbraw/zinc/51/11/85/1024511185.db2.gz UVOVOWQRJYWLPB-UZLBHIALSA-N 1 2 370.453 2.966 20 30 FFEDLO COc1cc(OC)cc(Oc2ccc(C=NNC3=[NH+]C[C@@H](C)N3)cc2)c1 ZINC000779805965 1024710822 /nfs/dbraw/zinc/71/08/22/1024710822.db2.gz XAKZSOCWECXDGM-CYBMUJFWSA-N 1 2 354.410 2.767 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(C3CCCCC3)n1)C2 ZINC001111481211 1024884913 /nfs/dbraw/zinc/88/49/13/1024884913.db2.gz CZYSAQHKAZJESB-LMMKCTJWSA-N 1 2 371.481 2.707 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(C3CCCCC3)n1)C2 ZINC001111481211 1024884926 /nfs/dbraw/zinc/88/49/26/1024884926.db2.gz CZYSAQHKAZJESB-LMMKCTJWSA-N 1 2 371.481 2.707 20 30 FFEDLO COc1c(C)c[nH+]c(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1C ZINC000779887163 1025220050 /nfs/dbraw/zinc/22/00/50/1025220050.db2.gz FUJFXROTKQWIEM-IBGZPJMESA-N 1 2 361.442 2.585 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141116163 1025477927 /nfs/dbraw/zinc/47/79/27/1025477927.db2.gz SHCODPFLASHBOH-JTQLQIEISA-N 1 2 354.863 2.732 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141116163 1025477937 /nfs/dbraw/zinc/47/79/37/1025477937.db2.gz SHCODPFLASHBOH-JTQLQIEISA-N 1 2 354.863 2.732 20 30 FFEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1ccc(F)cc1C#N ZINC001141163775 1025547431 /nfs/dbraw/zinc/54/74/31/1025547431.db2.gz SHHIKJYNGYDBOY-IBGZPJMESA-N 1 2 369.444 2.710 20 30 FFEDLO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001141163865 1025548208 /nfs/dbraw/zinc/54/82/08/1025548208.db2.gz BIKCRSIQLIKQAK-KRWDZBQOSA-N 1 2 363.433 2.765 20 30 FFEDLO C[N@H+](Cc1ccc(F)cc1C#N)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001141163865 1025548219 /nfs/dbraw/zinc/54/82/19/1025548219.db2.gz BIKCRSIQLIKQAK-KRWDZBQOSA-N 1 2 363.433 2.765 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(C(F)(F)F)nn3)C2)CC1 ZINC001141486469 1026415385 /nfs/dbraw/zinc/41/53/85/1026415385.db2.gz POCRIWORUCRYNJ-UHFFFAOYSA-N 1 2 370.375 2.716 20 30 FFEDLO N#Cc1ccc(NC(=O)CC[NH+]2CC(O)(c3ccc(F)cc3)C2)cc1Cl ZINC000839563883 1026735705 /nfs/dbraw/zinc/73/57/05/1026735705.db2.gz LVOOEBVQTMMYLE-UHFFFAOYSA-N 1 2 373.815 2.883 20 30 FFEDLO CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C#N)ccc1Br ZINC001141658341 1026762830 /nfs/dbraw/zinc/76/28/30/1026762830.db2.gz ZKUZCEBYVTYSEL-QGZVFWFLSA-N 1 2 362.271 2.908 20 30 FFEDLO CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(C#N)ccc1Br ZINC001141658341 1026762836 /nfs/dbraw/zinc/76/28/36/1026762836.db2.gz ZKUZCEBYVTYSEL-QGZVFWFLSA-N 1 2 362.271 2.908 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1CCNC(=O)C#CC1CC1 ZINC001102963019 1026836876 /nfs/dbraw/zinc/83/68/76/1026836876.db2.gz HYLXCQRJIIAPAU-TZMCWYRMSA-N 1 2 351.903 2.784 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1CCNC(=O)C#CC1CC1 ZINC001102963019 1026836880 /nfs/dbraw/zinc/83/68/80/1026836880.db2.gz HYLXCQRJIIAPAU-TZMCWYRMSA-N 1 2 351.903 2.784 20 30 FFEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[C@@H](C)O1 ZINC001158497096 1027045157 /nfs/dbraw/zinc/04/51/57/1027045157.db2.gz QJOMMPUMEQPBRQ-RBSFLKMASA-N 1 2 359.308 2.775 20 30 FFEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[C@@H](C)O1 ZINC001158497096 1027045170 /nfs/dbraw/zinc/04/51/70/1027045170.db2.gz QJOMMPUMEQPBRQ-RBSFLKMASA-N 1 2 359.308 2.775 20 30 FFEDLO Cc1nc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)cnc1C#N ZINC001158551180 1027059315 /nfs/dbraw/zinc/05/93/15/1027059315.db2.gz JLZSWHQEDBIQKE-MRXNPFEDSA-N 1 2 361.371 2.910 20 30 FFEDLO Cc1nc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)cnc1C#N ZINC001158551180 1027059318 /nfs/dbraw/zinc/05/93/18/1027059318.db2.gz JLZSWHQEDBIQKE-MRXNPFEDSA-N 1 2 361.371 2.910 20 30 FFEDLO N#Cc1ccc(Br)cc1C[NH+]1CCC2(CCCNC2=O)CC1 ZINC001141903308 1027122423 /nfs/dbraw/zinc/12/24/23/1027122423.db2.gz ZZFIVIPSGGHKKX-UHFFFAOYSA-N 1 2 362.271 2.813 20 30 FFEDLO CCN(C(=O)CO[NH+]=C(N)Cc1cccnc1)[C@H](C)c1ccc(F)cc1 ZINC000092915105 1027504559 /nfs/dbraw/zinc/50/45/59/1027504559.db2.gz QREGOTFZWAAJQF-CQSZACIVSA-N 1 2 358.417 2.662 20 30 FFEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC001160407098 1027696909 /nfs/dbraw/zinc/69/69/09/1027696909.db2.gz WTAAFOAVQMLZLI-CVEARBPZSA-N 1 2 371.319 2.849 20 30 FFEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC001160407098 1027696914 /nfs/dbraw/zinc/69/69/14/1027696914.db2.gz WTAAFOAVQMLZLI-CVEARBPZSA-N 1 2 371.319 2.849 20 30 FFEDLO N#Cc1c(Cl)nccc1C(F)(F)NCC[NH+]1CCC(F)(F)CC1 ZINC001160748450 1027856410 /nfs/dbraw/zinc/85/64/10/1027856410.db2.gz VTTUDGUUPLLHFZ-UHFFFAOYSA-N 1 2 350.747 2.977 20 30 FFEDLO C#CCCN1CCC[C@H](Nc2ccc3cc(OC)c(OC)cc3[nH+]2)C1=O ZINC001160899884 1027914840 /nfs/dbraw/zinc/91/48/40/1027914840.db2.gz PKZDUWFAMMZIGX-HNNXBMFYSA-N 1 2 353.422 2.678 20 30 FFEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001154288552 1028223473 /nfs/dbraw/zinc/22/34/73/1028223473.db2.gz OHNNXHHFBOPWND-FMKPAKJESA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001154288552 1028223483 /nfs/dbraw/zinc/22/34/83/1028223483.db2.gz OHNNXHHFBOPWND-FMKPAKJESA-N 1 2 359.308 2.681 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCC(=O)c1cccc(C#N)c1 ZINC000796001305 1028394135 /nfs/dbraw/zinc/39/41/35/1028394135.db2.gz BLLRWSDHJOQOCM-UHFFFAOYSA-N 1 2 369.327 2.921 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2noc(C3CC3)n2)C1 ZINC001104093592 1028564423 /nfs/dbraw/zinc/56/44/23/1028564423.db2.gz SALCWVULNQRVMB-NVXWUHKLSA-N 1 2 358.486 2.715 20 30 FFEDLO C[N@@H+]1CCO[C@@H](CNc2cnc(Cl)nc2Oc2ccccc2C#N)C1 ZINC001155201979 1028624516 /nfs/dbraw/zinc/62/45/16/1028624516.db2.gz ZEPBOZKKIFYRQG-ZDUSSCGKSA-N 1 2 359.817 2.536 20 30 FFEDLO C[N@H+]1CCO[C@@H](CNc2cnc(Cl)nc2Oc2ccccc2C#N)C1 ZINC001155201979 1028624524 /nfs/dbraw/zinc/62/45/24/1028624524.db2.gz ZEPBOZKKIFYRQG-ZDUSSCGKSA-N 1 2 359.817 2.536 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1nccs1 ZINC001155724872 1028873912 /nfs/dbraw/zinc/87/39/12/1028873912.db2.gz VOMUQDISURBKSY-VYDXJSESSA-N 1 2 351.516 2.841 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccs1 ZINC001155724872 1028873918 /nfs/dbraw/zinc/87/39/18/1028873918.db2.gz VOMUQDISURBKSY-VYDXJSESSA-N 1 2 351.516 2.841 20 30 FFEDLO CS[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001111610293 1028910898 /nfs/dbraw/zinc/91/08/98/1028910898.db2.gz QPUVSQJKNWNOAU-AZOIQLNYSA-N 1 2 361.486 2.920 20 30 FFEDLO CS[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001111610293 1028910912 /nfs/dbraw/zinc/91/09/12/1028910912.db2.gz QPUVSQJKNWNOAU-AZOIQLNYSA-N 1 2 361.486 2.920 20 30 FFEDLO CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001111611744 1028916325 /nfs/dbraw/zinc/91/63/25/1028916325.db2.gz HWVMDEZXYMBTRD-VHFSOBRXSA-N 1 2 359.445 2.593 20 30 FFEDLO CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001111611744 1028916334 /nfs/dbraw/zinc/91/63/34/1028916334.db2.gz HWVMDEZXYMBTRD-VHFSOBRXSA-N 1 2 359.445 2.593 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=C)Br)C2 ZINC001111643052 1029025656 /nfs/dbraw/zinc/02/56/56/1029025656.db2.gz VNSCEFHAYCJPQB-ZOBUZTSGSA-N 1 2 371.319 2.847 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=C)Br)C2 ZINC001111643052 1029025670 /nfs/dbraw/zinc/02/56/70/1029025670.db2.gz VNSCEFHAYCJPQB-ZOBUZTSGSA-N 1 2 371.319 2.847 20 30 FFEDLO N#Cc1ccc(-c2cc(C(F)(F)N3CC[NH2+]C[C@@H]3C#N)c(Cl)nn2)cc1 ZINC001156333208 1029150235 /nfs/dbraw/zinc/15/02/35/1029150235.db2.gz WZJBYHNWPRRCRY-ZDUSSCGKSA-N 1 2 374.782 2.515 20 30 FFEDLO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[NH2+]CC(F)(F)C1 ZINC001164488855 1029294747 /nfs/dbraw/zinc/29/47/47/1029294747.db2.gz NTPYOQPSUFMCQE-UHFFFAOYSA-N 1 2 357.138 2.850 20 30 FFEDLO O=C(C#CC1CC1)N[C@]12CCC[C@H]1C[N@H+](Cc1ccn(C3CCCC3)n1)C2 ZINC001111740610 1029303932 /nfs/dbraw/zinc/30/39/32/1029303932.db2.gz GEVHFHRCGZSNIY-AVRDEDQJSA-N 1 2 366.509 2.882 20 30 FFEDLO O=C(C#CC1CC1)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccn(C3CCCC3)n1)C2 ZINC001111740610 1029303951 /nfs/dbraw/zinc/30/39/51/1029303951.db2.gz GEVHFHRCGZSNIY-AVRDEDQJSA-N 1 2 366.509 2.882 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nn(CC)nc1C)C2 ZINC001111834435 1029584570 /nfs/dbraw/zinc/58/45/70/1029584570.db2.gz UBIZKPMPGFMUNX-RXVVDRJESA-N 1 2 371.529 2.661 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nn(CC)nc1C)C2 ZINC001111834435 1029584574 /nfs/dbraw/zinc/58/45/74/1029584574.db2.gz UBIZKPMPGFMUNX-RXVVDRJESA-N 1 2 371.529 2.661 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)n1CCC)C2 ZINC001111846140 1029608749 /nfs/dbraw/zinc/60/87/49/1029608749.db2.gz SDNNMJZGJHHIPC-RXVVDRJESA-N 1 2 371.529 2.661 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)n1CCC)C2 ZINC001111846140 1029608753 /nfs/dbraw/zinc/60/87/53/1029608753.db2.gz SDNNMJZGJHHIPC-RXVVDRJESA-N 1 2 371.529 2.661 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nn(CC)nc1C)C2 ZINC001111851515 1029617275 /nfs/dbraw/zinc/61/72/75/1029617275.db2.gz CRASKECLKBOAAK-ZWOKBUDYSA-N 1 2 359.518 2.679 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nn(CC)nc1C)C2 ZINC001111851515 1029617280 /nfs/dbraw/zinc/61/72/80/1029617280.db2.gz CRASKECLKBOAAK-ZWOKBUDYSA-N 1 2 359.518 2.679 20 30 FFEDLO COc1cc(N2CCN(c3nc(Cl)cc(Cl)c3C#N)CC2)cc[nH+]1 ZINC001158098649 1029732553 /nfs/dbraw/zinc/73/25/53/1029732553.db2.gz RJBZTDCEINQCLA-UHFFFAOYSA-N 1 2 364.236 2.990 20 30 FFEDLO C=C[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)[nH]1)C2)c1ccccc1 ZINC001111996054 1029845236 /nfs/dbraw/zinc/84/52/36/1029845236.db2.gz IOUHPCVUDGPLJG-UEXGIBASSA-N 1 2 365.481 2.554 20 30 FFEDLO C=C[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)[nH]1)C2)c1ccccc1 ZINC001111996054 1029845242 /nfs/dbraw/zinc/84/52/42/1029845242.db2.gz IOUHPCVUDGPLJG-UEXGIBASSA-N 1 2 365.481 2.554 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H](O[NH+]=C(N)Cc3cccc(F)c3)C2=O)cc1 ZINC000783150283 1029927572 /nfs/dbraw/zinc/92/75/72/1029927572.db2.gz BSZCETJNJPHHJE-GOSISDBHSA-N 1 2 366.396 2.934 20 30 FFEDLO N#Cc1ccc2cc[nH+]c(N3CCc4nnc(Cn5cccc5)n4CC3)c2c1 ZINC001165640836 1030066181 /nfs/dbraw/zinc/06/61/81/1030066181.db2.gz BRQPTHOWGUMZMQ-UHFFFAOYSA-N 1 2 369.432 2.610 20 30 FFEDLO N#Cc1ccc([C@H](O)C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000783645334 1030206993 /nfs/dbraw/zinc/20/69/93/1030206993.db2.gz SRELZKUVVFQYHY-IBGZPJMESA-N 1 2 352.438 2.507 20 30 FFEDLO N#Cc1cc(N)c(NC(=O)/C=C/c2ccc(Cn3cc[nH+]c3)cc2)cc1C#N ZINC001142370299 1030365753 /nfs/dbraw/zinc/36/57/53/1030365753.db2.gz UIDDVZODCNLHAG-AATRIKPKSA-N 1 2 368.400 2.909 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)N(C(=O)OC(C)(C)C)c2cccnc2)CC1 ZINC001142413278 1030407954 /nfs/dbraw/zinc/40/79/54/1030407954.db2.gz UMLGPPNZGHKPTM-INIZCTEOSA-N 1 2 374.485 2.542 20 30 FFEDLO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cnc(Cl)nc1NC)C2 ZINC001142482432 1030511661 /nfs/dbraw/zinc/51/16/61/1030511661.db2.gz GKSHRNWWLKPEJW-SFHVURJKSA-N 1 2 363.893 2.705 20 30 FFEDLO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1cnc(Cl)nc1NC)C2 ZINC001142482432 1030511672 /nfs/dbraw/zinc/51/16/72/1030511672.db2.gz GKSHRNWWLKPEJW-SFHVURJKSA-N 1 2 363.893 2.705 20 30 FFEDLO C=C(C)CN1CC[C@]2(CC[N@@H+](Cc3nc4ccc(OC)cc4[nH]3)C2)C1=O ZINC001276407519 1030645926 /nfs/dbraw/zinc/64/59/26/1030645926.db2.gz WPZZCZIRYUVWDX-FQEVSTJZSA-N 1 2 354.454 2.572 20 30 FFEDLO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3nc4ccc(OC)cc4[nH]3)C2)C1=O ZINC001276407519 1030645934 /nfs/dbraw/zinc/64/59/34/1030645934.db2.gz WPZZCZIRYUVWDX-FQEVSTJZSA-N 1 2 354.454 2.572 20 30 FFEDLO N#Cc1ccc2c(C[N@H+]3Cc4nccn4C[C@H](Cn4cccn4)C3)c[nH]c2c1 ZINC001142928884 1031068435 /nfs/dbraw/zinc/06/84/35/1031068435.db2.gz NPJSACIPEILGQJ-QGZVFWFLSA-N 1 2 371.448 2.765 20 30 FFEDLO N#Cc1ccc2c(C[N@@H+]3Cc4nccn4C[C@H](Cn4cccn4)C3)c[nH]c2c1 ZINC001142928884 1031068453 /nfs/dbraw/zinc/06/84/53/1031068453.db2.gz NPJSACIPEILGQJ-QGZVFWFLSA-N 1 2 371.448 2.765 20 30 FFEDLO C=CCN1CC[C@H](OC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1=O ZINC000798614698 1031477183 /nfs/dbraw/zinc/47/71/83/1031477183.db2.gz BLLNXXZFORWNOP-XLIONFOSSA-N 1 2 370.493 2.660 20 30 FFEDLO CCC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001205053309 1031495815 /nfs/dbraw/zinc/49/58/15/1031495815.db2.gz PHVOYOGBYUSWLC-FGZHOGPDSA-N 1 2 362.473 2.522 20 30 FFEDLO CCC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001205053309 1031495827 /nfs/dbraw/zinc/49/58/27/1031495827.db2.gz PHVOYOGBYUSWLC-FGZHOGPDSA-N 1 2 362.473 2.522 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C ZINC000798910139 1031583308 /nfs/dbraw/zinc/58/33/08/1031583308.db2.gz IFJPIRBESLMKGI-FQEVSTJZSA-N 1 2 367.493 2.903 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C ZINC000798910139 1031583320 /nfs/dbraw/zinc/58/33/20/1031583320.db2.gz IFJPIRBESLMKGI-FQEVSTJZSA-N 1 2 367.493 2.903 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001115581367 1031881180 /nfs/dbraw/zinc/88/11/80/1031881180.db2.gz KVSNXZITVGQDEW-KURKYZTESA-N 1 2 370.497 2.902 20 30 FFEDLO CCC[C@H](CC)C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218852298 1033377437 /nfs/dbraw/zinc/37/74/37/1033377437.db2.gz YCFCZQNFSIXGTF-PCCBWWKXSA-N 1 2 354.494 2.776 20 30 FFEDLO CCC[C@H](CC)C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218852298 1033377451 /nfs/dbraw/zinc/37/74/51/1033377451.db2.gz YCFCZQNFSIXGTF-PCCBWWKXSA-N 1 2 354.494 2.776 20 30 FFEDLO CC[C@H](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001219696148 1033760574 /nfs/dbraw/zinc/76/05/74/1033760574.db2.gz ZQQGOHOXEHCSJH-QGTPRVQTSA-N 1 2 363.527 2.888 20 30 FFEDLO CC[C@H](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001219696148 1033760580 /nfs/dbraw/zinc/76/05/80/1033760580.db2.gz ZQQGOHOXEHCSJH-QGTPRVQTSA-N 1 2 363.527 2.888 20 30 FFEDLO C=CCN(C(=O)CCc1[nH+]ccn1C)[C@H](Cc1ccccc1)C(=O)OCC ZINC001138239327 1034002043 /nfs/dbraw/zinc/00/20/43/1034002043.db2.gz XZQUAVRCAXYJOG-GOSISDBHSA-N 1 2 369.465 2.542 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ccc(F)c(F)c3)C[C@@H]2O)CCC1 ZINC001220280533 1034095123 /nfs/dbraw/zinc/09/51/23/1034095123.db2.gz NGUSLENZYZTDLE-XWIAVFTESA-N 1 2 364.436 2.934 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ccc(F)c(F)c3)C[C@@H]2O)CCC1 ZINC001220280533 1034095132 /nfs/dbraw/zinc/09/51/32/1034095132.db2.gz NGUSLENZYZTDLE-XWIAVFTESA-N 1 2 364.436 2.934 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3c2cc(F)cc3F)C[C@@H]1O ZINC001220434731 1034175210 /nfs/dbraw/zinc/17/52/10/1034175210.db2.gz ZHRWCYPPAQFJPL-SQNIBIBYSA-N 1 2 364.436 2.716 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCc3c2cc(F)cc3F)C[C@@H]1O ZINC001220434731 1034175215 /nfs/dbraw/zinc/17/52/15/1034175215.db2.gz ZHRWCYPPAQFJPL-SQNIBIBYSA-N 1 2 364.436 2.716 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C(C)C)n1 ZINC001225239526 1034176881 /nfs/dbraw/zinc/17/68/81/1034176881.db2.gz SMSICMNZJIHNAD-BZUAXINKSA-N 1 2 364.490 2.691 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(F)(F)C(F)F ZINC001225561048 1034308279 /nfs/dbraw/zinc/30/82/79/1034308279.db2.gz ZHJUWYRSKSEEEG-CHWSQXEVSA-N 1 2 354.388 2.887 20 30 FFEDLO CCCCCC[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001220762687 1034383156 /nfs/dbraw/zinc/38/31/56/1034383156.db2.gz RMNWPNLCASGKSX-OTWHNJEPSA-N 1 2 361.461 2.528 20 30 FFEDLO CCCCCC[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001220762687 1034383166 /nfs/dbraw/zinc/38/31/66/1034383166.db2.gz RMNWPNLCASGKSX-OTWHNJEPSA-N 1 2 361.461 2.528 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(CC(C)C)n1 ZINC001225771685 1034403310 /nfs/dbraw/zinc/40/33/10/1034403310.db2.gz TUPWKGWGDVWNPG-IAGOWNOFSA-N 1 2 360.502 2.979 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221422103 1034736239 /nfs/dbraw/zinc/73/62/39/1034736239.db2.gz QTSZSNOFTJMMPI-YFVAEKQCSA-N 1 2 370.468 2.691 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221422103 1034736256 /nfs/dbraw/zinc/73/62/56/1034736256.db2.gz QTSZSNOFTJMMPI-YFVAEKQCSA-N 1 2 370.468 2.691 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)ccc3Cl)C[C@H]21 ZINC001221539363 1034858716 /nfs/dbraw/zinc/85/87/16/1034858716.db2.gz WPSUCEPGZDJYDX-PMUMKWKESA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)ccc3Cl)C[C@H]21 ZINC001221539363 1034858726 /nfs/dbraw/zinc/85/87/26/1034858726.db2.gz WPSUCEPGZDJYDX-PMUMKWKESA-N 1 2 364.848 2.550 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001221584857 1034896552 /nfs/dbraw/zinc/89/65/52/1034896552.db2.gz GPPAMXIFYKDEOD-UKRRQHHQSA-N 1 2 352.429 2.747 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001221584857 1034896557 /nfs/dbraw/zinc/89/65/57/1034896557.db2.gz GPPAMXIFYKDEOD-UKRRQHHQSA-N 1 2 352.429 2.747 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)oc3C)C[C@H]21)OCC ZINC001221586731 1034899057 /nfs/dbraw/zinc/89/90/57/1034899057.db2.gz PUQZNKLPJHKHHR-QRQLOZEOSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)oc3C)C[C@H]21)OCC ZINC001221586731 1034899060 /nfs/dbraw/zinc/89/90/60/1034899060.db2.gz PUQZNKLPJHKHHR-QRQLOZEOSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)cs3)C[C@H]21)OCC ZINC001221586190 1034899838 /nfs/dbraw/zinc/89/98/38/1034899838.db2.gz DUTGSAFSLMWANX-ZACQAIPSSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)cs3)C[C@H]21)OCC ZINC001221586190 1034899840 /nfs/dbraw/zinc/89/98/40/1034899840.db2.gz DUTGSAFSLMWANX-ZACQAIPSSA-N 1 2 363.527 2.856 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129645 1034958917 /nfs/dbraw/zinc/95/89/17/1034958917.db2.gz DFDGDKVAZINZBT-CQSZACIVSA-N 1 2 372.421 2.684 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129645 1034958923 /nfs/dbraw/zinc/95/89/23/1034958923.db2.gz DFDGDKVAZINZBT-CQSZACIVSA-N 1 2 372.421 2.684 20 30 FFEDLO CCC[C@@H](OC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221733207 1035021735 /nfs/dbraw/zinc/02/17/35/1035021735.db2.gz IPNQGQBVOBMNIS-BHIYHBOVSA-N 1 2 359.445 2.545 20 30 FFEDLO CCC[C@@H](OC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221733207 1035021743 /nfs/dbraw/zinc/02/17/43/1035021743.db2.gz IPNQGQBVOBMNIS-BHIYHBOVSA-N 1 2 359.445 2.545 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001221760274 1035045586 /nfs/dbraw/zinc/04/55/86/1035045586.db2.gz ASFZDSSOGKYTTH-YQVWRLOYSA-N 1 2 355.482 2.760 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001221760274 1035045595 /nfs/dbraw/zinc/04/55/95/1035045595.db2.gz ASFZDSSOGKYTTH-YQVWRLOYSA-N 1 2 355.482 2.760 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCc3ccccc3C)C[C@H]21 ZINC001221782401 1035063617 /nfs/dbraw/zinc/06/36/17/1035063617.db2.gz BIKONLLRPRBHBS-WOJBJXKFSA-N 1 2 369.509 2.500 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCc3ccccc3C)C[C@H]21 ZINC001221782401 1035063621 /nfs/dbraw/zinc/06/36/21/1035063621.db2.gz BIKONLLRPRBHBS-WOJBJXKFSA-N 1 2 369.509 2.500 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCCC(C)(C)C)C[C@H]21 ZINC001221790312 1035072530 /nfs/dbraw/zinc/07/25/30/1035072530.db2.gz JHHDGLSFDPFPHH-LZJOCLMNSA-N 1 2 363.546 2.674 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCCC(C)(C)C)C[C@H]21 ZINC001221790312 1035072539 /nfs/dbraw/zinc/07/25/39/1035072539.db2.gz JHHDGLSFDPFPHH-LZJOCLMNSA-N 1 2 363.546 2.674 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2c[nH]c3c2cccc3C#N)CCO1 ZINC001139703058 1035201794 /nfs/dbraw/zinc/20/17/94/1035201794.db2.gz JNHDSLVOGGSCTF-INIZCTEOSA-N 1 2 370.453 2.765 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C#N)CCO1 ZINC001139703058 1035201799 /nfs/dbraw/zinc/20/17/99/1035201799.db2.gz JNHDSLVOGGSCTF-INIZCTEOSA-N 1 2 370.453 2.765 20 30 FFEDLO CC1(C#N)CC[NH+](Cc2sc(N3CCC(O)CC3)nc2Cl)CC1 ZINC001140208225 1035382418 /nfs/dbraw/zinc/38/24/18/1035382418.db2.gz GHRZSOVWTGHNGB-UHFFFAOYSA-N 1 2 354.907 2.883 20 30 FFEDLO N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2ccnc(C(F)(F)F)c2)C1=O ZINC001277658468 1035640718 /nfs/dbraw/zinc/64/07/18/1035640718.db2.gz SXYWZCYNWMRAAW-QGZVFWFLSA-N 1 2 366.387 2.971 20 30 FFEDLO N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2ccnc(C(F)(F)F)c2)C1=O ZINC001277658468 1035640727 /nfs/dbraw/zinc/64/07/27/1035640727.db2.gz SXYWZCYNWMRAAW-QGZVFWFLSA-N 1 2 366.387 2.971 20 30 FFEDLO N#Cc1ccnc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001232475996 1035721064 /nfs/dbraw/zinc/72/10/64/1035721064.db2.gz QAQUGBCSHQZCDC-UHFFFAOYSA-N 1 2 368.506 2.882 20 30 FFEDLO N#Cc1ccnc(C[NH+]2CCC3(CC2)CN(Cc2cccs2)CCO3)c1 ZINC001232475996 1035721081 /nfs/dbraw/zinc/72/10/81/1035721081.db2.gz QAQUGBCSHQZCDC-UHFFFAOYSA-N 1 2 368.506 2.882 20 30 FFEDLO N#Cc1ccnc(CN2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001232475996 1035721100 /nfs/dbraw/zinc/72/11/00/1035721100.db2.gz QAQUGBCSHQZCDC-UHFFFAOYSA-N 1 2 368.506 2.882 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)c1 ZINC001232678209 1035937505 /nfs/dbraw/zinc/93/75/05/1035937505.db2.gz YTRABPIUADINBC-SESVDKBCSA-N 1 2 365.433 2.607 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)c1 ZINC001232678209 1035937516 /nfs/dbraw/zinc/93/75/16/1035937516.db2.gz YTRABPIUADINBC-SESVDKBCSA-N 1 2 365.433 2.607 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)c1 ZINC001232680951 1035939354 /nfs/dbraw/zinc/93/93/54/1035939354.db2.gz JDKCHEHMNJFVSA-GOSISDBHSA-N 1 2 353.397 2.797 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)c1 ZINC001232680951 1035939367 /nfs/dbraw/zinc/93/93/67/1035939367.db2.gz JDKCHEHMNJFVSA-GOSISDBHSA-N 1 2 353.397 2.797 20 30 FFEDLO COc1cccc(C(=O)NC2CC[NH+](Cc3cc(C#N)ccc3O)CC2)c1 ZINC001232681241 1035940174 /nfs/dbraw/zinc/94/01/74/1035940174.db2.gz NWOJGHWTZNGSRR-UHFFFAOYSA-N 1 2 365.433 2.667 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](Cc2cc3ccc(Cl)cc3[nH]2)CC1 ZINC001232732415 1035982454 /nfs/dbraw/zinc/98/24/54/1035982454.db2.gz RIGUTMOHDAGDEY-UHFFFAOYSA-N 1 2 352.829 2.805 20 30 FFEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1ccc(C#N)s1 ZINC001232843480 1036100215 /nfs/dbraw/zinc/10/02/15/1036100215.db2.gz YRGFUEBNXWYOEF-KRWDZBQOSA-N 1 2 357.483 2.633 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(C(F)(F)F)o1)C2 ZINC001277734206 1036151257 /nfs/dbraw/zinc/15/12/57/1036151257.db2.gz IBHDRSAAHDALPM-KRWDZBQOSA-N 1 2 372.387 2.925 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(C(F)(F)F)o1)C2 ZINC001277734206 1036151262 /nfs/dbraw/zinc/15/12/62/1036151262.db2.gz IBHDRSAAHDALPM-KRWDZBQOSA-N 1 2 372.387 2.925 20 30 FFEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1ccc(C#N)cc1C ZINC001233079253 1036326869 /nfs/dbraw/zinc/32/68/69/1036326869.db2.gz AORNXFPCCFTCCM-HXUWFJFHSA-N 1 2 365.481 2.880 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(N(C)C)nc3F)C2)CC1 ZINC001233114442 1036358742 /nfs/dbraw/zinc/35/87/42/1036358742.db2.gz KOAREIMBRNYRAI-UHFFFAOYSA-N 1 2 362.449 2.507 20 30 FFEDLO C=CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001277388051 1036679035 /nfs/dbraw/zinc/67/90/35/1036679035.db2.gz RKDSFJUNAZPNJX-GOSISDBHSA-N 1 2 366.820 2.712 20 30 FFEDLO C=CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001277388051 1036679037 /nfs/dbraw/zinc/67/90/37/1036679037.db2.gz RKDSFJUNAZPNJX-GOSISDBHSA-N 1 2 366.820 2.712 20 30 FFEDLO C#CCOc1ccc(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000836614653 1036687824 /nfs/dbraw/zinc/68/78/24/1036687824.db2.gz OQZSBESEYXVQHE-QGZVFWFLSA-N 1 2 352.438 2.521 20 30 FFEDLO CC[C@H](C#CC(=O)OC)Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229767778 1036880469 /nfs/dbraw/zinc/88/04/69/1036880469.db2.gz GZMCDIZSOQVMOR-QGZVFWFLSA-N 1 2 374.400 2.910 20 30 FFEDLO Cc1nc(O[C@H]2C(=O)OCC2(C)C)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229766461 1036881078 /nfs/dbraw/zinc/88/10/78/1036881078.db2.gz OCUVAXUNRGSZNK-KRWDZBQOSA-N 1 2 362.389 2.907 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001206957717 1036988364 /nfs/dbraw/zinc/98/83/64/1036988364.db2.gz JWLZYJDLJDYJQA-OWCLPIDISA-N 1 2 361.486 2.510 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001206957717 1036988383 /nfs/dbraw/zinc/98/83/83/1036988383.db2.gz JWLZYJDLJDYJQA-OWCLPIDISA-N 1 2 361.486 2.510 20 30 FFEDLO Cc1ccc(N2CCC(Oc3[nH]c(=O)nc4ccc(C#N)cc43)CC2)[nH+]c1 ZINC001234530125 1037074905 /nfs/dbraw/zinc/07/49/05/1037074905.db2.gz HZKJKFAVCIFLOS-UHFFFAOYSA-N 1 2 361.405 2.958 20 30 FFEDLO CCn1ccnc1C[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001207147523 1037192062 /nfs/dbraw/zinc/19/20/62/1037192062.db2.gz HEKKUPZTIUARPZ-UHFFFAOYSA-N 1 2 352.442 2.561 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001207172246 1037220482 /nfs/dbraw/zinc/22/04/82/1037220482.db2.gz SPXJIZPPNXSPME-VQIMIIECSA-N 1 2 367.497 2.806 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001207172246 1037220494 /nfs/dbraw/zinc/22/04/94/1037220494.db2.gz SPXJIZPPNXSPME-VQIMIIECSA-N 1 2 367.497 2.806 20 30 FFEDLO C=C(C)CNC(=O)[C@H]1CC12CCN(c1nc(N(C)CC)c(C)c[nH+]1)CC2 ZINC001277921501 1037350185 /nfs/dbraw/zinc/35/01/85/1037350185.db2.gz LNGXYXJDESDIGG-MRXNPFEDSA-N 1 2 357.502 2.540 20 30 FFEDLO N#Cc1cccc2c(OC[C@H]3C[N@H+](Cc4ccccc4)CCO3)ncnc12 ZINC001231038873 1037444475 /nfs/dbraw/zinc/44/44/75/1037444475.db2.gz DGACHANDQBOFBD-GOSISDBHSA-N 1 2 360.417 2.781 20 30 FFEDLO N#Cc1cccc2c(OC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)ncnc12 ZINC001231038873 1037444479 /nfs/dbraw/zinc/44/44/79/1037444479.db2.gz DGACHANDQBOFBD-GOSISDBHSA-N 1 2 360.417 2.781 20 30 FFEDLO CCOc1nc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(C#N)s1 ZINC001231091897 1037466386 /nfs/dbraw/zinc/46/63/86/1037466386.db2.gz WKGOORNRGXRZST-OAHLLOKOSA-N 1 2 354.435 2.938 20 30 FFEDLO CCOc1nc(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(C#N)s1 ZINC001231091897 1037466397 /nfs/dbraw/zinc/46/63/97/1037466397.db2.gz WKGOORNRGXRZST-OAHLLOKOSA-N 1 2 354.435 2.938 20 30 FFEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@]23CCN(Cc2cnoc2)C3=O)c1 ZINC001277487086 1037469293 /nfs/dbraw/zinc/46/92/93/1037469293.db2.gz DDILHMRGGYVRHI-LJQANCHMSA-N 1 2 370.840 2.967 20 30 FFEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@]23CCN(Cc2cnoc2)C3=O)c1 ZINC001277487086 1037469305 /nfs/dbraw/zinc/46/93/05/1037469305.db2.gz DDILHMRGGYVRHI-LJQANCHMSA-N 1 2 370.840 2.967 20 30 FFEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(Br)c[nH]1)CC2 ZINC001231575298 1037696077 /nfs/dbraw/zinc/69/60/77/1037696077.db2.gz VBTUXSJFYJOBDS-UHFFFAOYSA-N 1 2 352.276 2.920 20 30 FFEDLO CCCCCCC/C=C/C[N@@H+]1CCO[C@@]2(C1)COCCN(C(C)=O)C2 ZINC001208119996 1038055270 /nfs/dbraw/zinc/05/52/70/1038055270.db2.gz KKIFBXQXJRITKV-SQUSKLHYSA-N 1 2 352.519 2.853 20 30 FFEDLO CCCCCCC/C=C/C[N@H+]1CCO[C@@]2(C1)COCCN(C(C)=O)C2 ZINC001208119996 1038055277 /nfs/dbraw/zinc/05/52/77/1038055277.db2.gz KKIFBXQXJRITKV-SQUSKLHYSA-N 1 2 352.519 2.853 20 30 FFEDLO CCCCCCC/C=C/C[N@@H+]1CCO[C@]2(C1)COCCN(C(C)=O)C2 ZINC001208119997 1038057151 /nfs/dbraw/zinc/05/71/51/1038057151.db2.gz KKIFBXQXJRITKV-XTXLJPNXSA-N 1 2 352.519 2.853 20 30 FFEDLO CCCCCCC/C=C/C[N@H+]1CCO[C@]2(C1)COCCN(C(C)=O)C2 ZINC001208119997 1038057171 /nfs/dbraw/zinc/05/71/71/1038057171.db2.gz KKIFBXQXJRITKV-XTXLJPNXSA-N 1 2 352.519 2.853 20 30 FFEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1c(F)cc(O)cc1F)CC2 ZINC001276557528 1038065292 /nfs/dbraw/zinc/06/52/92/1038065292.db2.gz BZKKDDYRSHYFBX-HNNXBMFYSA-N 1 2 350.409 2.965 20 30 FFEDLO C=CCOC(=O)C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)OCC=C ZINC001255697506 1038133965 /nfs/dbraw/zinc/13/39/65/1038133965.db2.gz PPXAQJFPFXLSJH-RDBSUJKOSA-N 1 2 363.376 2.914 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001208384954 1038272130 /nfs/dbraw/zinc/27/21/30/1038272130.db2.gz JXXSUVZXCIIUDS-YQVWRLOYSA-N 1 2 357.498 2.972 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001208384954 1038272137 /nfs/dbraw/zinc/27/21/37/1038272137.db2.gz JXXSUVZXCIIUDS-YQVWRLOYSA-N 1 2 357.498 2.972 20 30 FFEDLO Cc1c(Cl)nccc1CN1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001278906488 1038340048 /nfs/dbraw/zinc/34/00/48/1038340048.db2.gz MLWPRJSZFWIWJG-UHFFFAOYSA-N 1 2 355.873 2.571 20 30 FFEDLO N#CC1(NS(=O)(=O)c2cccs2)CC[NH+](Cc2ccccc2)CC1 ZINC001250944043 1038836950 /nfs/dbraw/zinc/83/69/50/1038836950.db2.gz XSPMPBRIJJYVCH-UHFFFAOYSA-N 1 2 361.492 2.585 20 30 FFEDLO CCCCCCCCOC(=O)C[NH2+]CC1(O)CCC(C(=O)OCC)CC1 ZINC001251073116 1038925617 /nfs/dbraw/zinc/92/56/17/1038925617.db2.gz JLJARELJTROEFN-UHFFFAOYSA-N 1 2 371.518 2.964 20 30 FFEDLO CCOC(=O)[C@H](CS)[NH2+]C1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257748793 1038957650 /nfs/dbraw/zinc/95/76/50/1038957650.db2.gz NRDZXQKLXFLUKP-AWEZNQCLSA-N 1 2 372.531 2.617 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cn4cccc(C)c4n3)C2)CC1 ZINC001209736144 1039172330 /nfs/dbraw/zinc/17/23/30/1039172330.db2.gz OWJYIXOXDPSXKD-UHFFFAOYSA-N 1 2 354.454 2.863 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1Cc1cc(Br)cc(Br)c1 ZINC001210122025 1039393433 /nfs/dbraw/zinc/39/34/33/1039393433.db2.gz OPNBTMNDQZBILX-LBPRGKRZSA-N 1 2 359.065 2.509 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1Cc1c(Br)cccc1OC(F)(F)F ZINC001210121923 1039393778 /nfs/dbraw/zinc/39/37/78/1039393778.db2.gz NVEPDSLDSXONJO-SECBINFHSA-N 1 2 364.165 2.645 20 30 FFEDLO O=C1C=C2C[N@H+]([C@@H]3CCC(=O)N(Cc4ccccc4)CC3)CC[C@H]2S1 ZINC001258582783 1039440234 /nfs/dbraw/zinc/44/02/34/1039440234.db2.gz JHYYZGLVVLRYBN-QZTJIDSGSA-N 1 2 356.491 2.842 20 30 FFEDLO O=C1C=C2C[N@@H+]([C@@H]3CCC(=O)N(Cc4ccccc4)CC3)CC[C@H]2S1 ZINC001258582783 1039440238 /nfs/dbraw/zinc/44/02/38/1039440238.db2.gz JHYYZGLVVLRYBN-QZTJIDSGSA-N 1 2 356.491 2.842 20 30 FFEDLO CCCCCCCC[C@@H](O)CN[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001252139644 1039446676 /nfs/dbraw/zinc/44/66/76/1039446676.db2.gz QNAYFVVEIDLDKJ-MSOLQXFVSA-N 1 2 353.507 2.595 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ncc(CC)o3)C[C@H]2C)CCOCC1 ZINC001210660500 1039655509 /nfs/dbraw/zinc/65/55/09/1039655509.db2.gz NWGILTOFUNGOTB-NVXWUHKLSA-N 1 2 361.486 2.546 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(CC)o3)C[C@H]2C)CCOCC1 ZINC001210660500 1039655516 /nfs/dbraw/zinc/65/55/16/1039655516.db2.gz NWGILTOFUNGOTB-NVXWUHKLSA-N 1 2 361.486 2.546 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Oc2ccccc2)C1 ZINC001210736504 1039699576 /nfs/dbraw/zinc/69/95/76/1039699576.db2.gz YRUUSRXNJLZBJG-IVMMDQJWSA-N 1 2 367.287 2.799 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Oc2ccccc2)C1 ZINC001210736504 1039699587 /nfs/dbraw/zinc/69/95/87/1039699587.db2.gz YRUUSRXNJLZBJG-IVMMDQJWSA-N 1 2 367.287 2.799 20 30 FFEDLO COc1cc(C[N@@H+]2CCC[C@]23CCN(CC(F)(F)F)C3=O)ccc1C#N ZINC001276691356 1039806423 /nfs/dbraw/zinc/80/64/23/1039806423.db2.gz PXZHHXGSCZKHEZ-QGZVFWFLSA-N 1 2 367.371 2.696 20 30 FFEDLO COc1cc(C[N@H+]2CCC[C@]23CCN(CC(F)(F)F)C3=O)ccc1C#N ZINC001276691356 1039806441 /nfs/dbraw/zinc/80/64/41/1039806441.db2.gz PXZHHXGSCZKHEZ-QGZVFWFLSA-N 1 2 367.371 2.696 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCOc2ccccc2)C1 ZINC001210992321 1039885720 /nfs/dbraw/zinc/88/57/20/1039885720.db2.gz HLHQNDUAHXQYEW-CZUORRHYSA-N 1 2 367.287 2.801 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCOc2ccccc2)C1 ZINC001210992321 1039885738 /nfs/dbraw/zinc/88/57/38/1039885738.db2.gz HLHQNDUAHXQYEW-CZUORRHYSA-N 1 2 367.287 2.801 20 30 FFEDLO CCCCCCCCCC[C@H](O)CN[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001252988144 1039897246 /nfs/dbraw/zinc/89/72/46/1039897246.db2.gz BKOPUJRLTSCTCQ-RBUKOAKNSA-N 1 2 367.534 2.986 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(CC)CC)C2)c1 ZINC001211177007 1039979294 /nfs/dbraw/zinc/97/92/94/1039979294.db2.gz DKNIVIWOQKLYBQ-VQIMIIECSA-N 1 2 369.509 2.869 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(CC)CC)C2)c1 ZINC001211177007 1039979311 /nfs/dbraw/zinc/97/93/11/1039979311.db2.gz DKNIVIWOQKLYBQ-VQIMIIECSA-N 1 2 369.509 2.869 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[N@@H+](Cc2nonc2C)C[C@H]1C ZINC001211217627 1040002188 /nfs/dbraw/zinc/00/21/88/1040002188.db2.gz AYFROPWWFYAKKM-ATZDWAIDSA-N 1 2 368.481 2.750 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[N@H+](Cc2nonc2C)C[C@H]1C ZINC001211217627 1040002201 /nfs/dbraw/zinc/00/22/01/1040002201.db2.gz AYFROPWWFYAKKM-ATZDWAIDSA-N 1 2 368.481 2.750 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1C[C@@H](O)c1ccc(F)c(F)c1 ZINC001253356978 1040128030 /nfs/dbraw/zinc/12/80/30/1040128030.db2.gz PNKAMBRGGGYWJD-QZTJIDSGSA-N 1 2 363.408 2.534 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1C[C@@H](O)c1ccc(F)c(F)c1 ZINC001253356978 1040128038 /nfs/dbraw/zinc/12/80/38/1040128038.db2.gz PNKAMBRGGGYWJD-QZTJIDSGSA-N 1 2 363.408 2.534 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ncccn3)C[C@H]2C)CCCCC1 ZINC001211410913 1040167595 /nfs/dbraw/zinc/16/75/95/1040167595.db2.gz ONJLWRVTCDUXJX-FGTMMUONSA-N 1 2 354.498 2.948 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ncccn3)C[C@H]2C)CCCCC1 ZINC001211410913 1040167599 /nfs/dbraw/zinc/16/75/99/1040167599.db2.gz ONJLWRVTCDUXJX-FGTMMUONSA-N 1 2 354.498 2.948 20 30 FFEDLO C[C@](O)(C[N@H+](CCC#N)Cc1ccccc1)C(=O)OCc1ccccc1 ZINC001253620734 1040260494 /nfs/dbraw/zinc/26/04/94/1040260494.db2.gz NKLOSMAYRFHUSJ-NRFANRHFSA-N 1 2 352.434 2.897 20 30 FFEDLO C[C@](O)(C[N@@H+](CCC#N)Cc1ccccc1)C(=O)OCc1ccccc1 ZINC001253620734 1040260508 /nfs/dbraw/zinc/26/05/08/1040260508.db2.gz NKLOSMAYRFHUSJ-NRFANRHFSA-N 1 2 352.434 2.897 20 30 FFEDLO C=CCS(=O)(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001259935453 1040306586 /nfs/dbraw/zinc/30/65/86/1040306586.db2.gz FSMZYSWEAILFRD-UHFFFAOYSA-N 1 2 373.316 2.519 20 30 FFEDLO CCCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213362766 1040477701 /nfs/dbraw/zinc/47/77/01/1040477701.db2.gz PDKQGCUICKASHG-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO CCCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213362766 1040477706 /nfs/dbraw/zinc/47/77/06/1040477706.db2.gz PDKQGCUICKASHG-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO C[N@H+](CCCOc1ccc(Cl)cc1Cl)Cc1cn(C[C@H]2CO2)nn1 ZINC001254072338 1040561667 /nfs/dbraw/zinc/56/16/67/1040561667.db2.gz SZFXLDGFMKXPEK-AWEZNQCLSA-N 1 2 371.268 2.885 20 30 FFEDLO C[N@@H+](CCCOc1ccc(Cl)cc1Cl)Cc1cn(C[C@H]2CO2)nn1 ZINC001254072338 1040561678 /nfs/dbraw/zinc/56/16/78/1040561678.db2.gz SZFXLDGFMKXPEK-AWEZNQCLSA-N 1 2 371.268 2.885 20 30 FFEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC ZINC001254294516 1040663954 /nfs/dbraw/zinc/66/39/54/1040663954.db2.gz APIMNGQOJOVXQH-CLCXKQKWSA-N 1 2 352.475 2.873 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3conc3C)C[C@H]2OC)CCCCC1 ZINC001213561666 1040674145 /nfs/dbraw/zinc/67/41/45/1040674145.db2.gz IOUQISNNGPUIFZ-QZTJIDSGSA-N 1 2 361.486 2.825 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](Cc3conc3C)C[C@H]2OC)CCCCC1 ZINC001213561666 1040674151 /nfs/dbraw/zinc/67/41/51/1040674151.db2.gz IOUQISNNGPUIFZ-QZTJIDSGSA-N 1 2 361.486 2.825 20 30 FFEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1nc(C(=O)OC)cs1)C2 ZINC001249473011 1040792253 /nfs/dbraw/zinc/79/22/53/1040792253.db2.gz KAZSEZCILIVWMS-QAPCUYQASA-N 1 2 366.483 2.503 20 30 FFEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1nc(C(=O)OC)cs1)C2 ZINC001249473011 1040792270 /nfs/dbraw/zinc/79/22/70/1040792270.db2.gz KAZSEZCILIVWMS-QAPCUYQASA-N 1 2 366.483 2.503 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@H](C)CC(C)C ZINC001213708614 1040816476 /nfs/dbraw/zinc/81/64/76/1040816476.db2.gz PPKUOULLNCMMFZ-HMXCVIKNSA-N 1 2 356.510 2.926 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@H](C)CC(C)C ZINC001213708614 1040816501 /nfs/dbraw/zinc/81/65/01/1040816501.db2.gz PPKUOULLNCMMFZ-HMXCVIKNSA-N 1 2 356.510 2.926 20 30 FFEDLO COC(=O)[C@H](CS)[NH2+]C1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001254869607 1041021585 /nfs/dbraw/zinc/02/15/85/1041021585.db2.gz HZUQGJDBQZNOFO-FVRSWCFKSA-N 1 2 372.531 2.617 20 30 FFEDLO CCC(C)(CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213885303 1041023010 /nfs/dbraw/zinc/02/30/10/1041023010.db2.gz AGXQMIHJBIMHMT-RTBURBONSA-N 1 2 360.473 2.819 20 30 FFEDLO CCC(C)(CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213885303 1041023024 /nfs/dbraw/zinc/02/30/24/1041023024.db2.gz AGXQMIHJBIMHMT-RTBURBONSA-N 1 2 360.473 2.819 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C(F)F)s2)C1 ZINC001215323000 1041738057 /nfs/dbraw/zinc/73/80/57/1041738057.db2.gz PWZJFEBCSWZGEJ-CHWSQXEVSA-N 1 2 370.469 2.996 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C(F)F)s2)C1 ZINC001215361810 1041756058 /nfs/dbraw/zinc/75/60/58/1041756058.db2.gz HYCBZAIIRJHHQQ-VXGBXAGGSA-N 1 2 356.442 2.606 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC001215434036 1041780463 /nfs/dbraw/zinc/78/04/63/1041780463.db2.gz MFWRTIFROICWRL-SJLPKXTDSA-N 1 2 353.470 2.560 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H](OC2CCC2)C1 ZINC001262952214 1041985242 /nfs/dbraw/zinc/98/52/42/1041985242.db2.gz MVTGLJUQXMEUAN-SFHVURJKSA-N 1 2 359.518 2.988 20 30 FFEDLO C=CCn1c(N(C)Cc2c(C)cccc2C)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001262988340 1042012568 /nfs/dbraw/zinc/01/25/68/1042012568.db2.gz PZKLBNDXPXTTJG-UWJYYQICSA-N 1 2 369.513 2.629 20 30 FFEDLO C=CCn1c(N(C)Cc2c(C)cccc2C)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001262988340 1042012571 /nfs/dbraw/zinc/01/25/71/1042012571.db2.gz PZKLBNDXPXTTJG-UWJYYQICSA-N 1 2 369.513 2.629 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC001263301251 1042229305 /nfs/dbraw/zinc/22/93/05/1042229305.db2.gz LOBOBCHEGDBBAI-GLJUWKHASA-N 1 2 369.460 2.870 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC001263301251 1042229307 /nfs/dbraw/zinc/22/93/07/1042229307.db2.gz LOBOBCHEGDBBAI-GLJUWKHASA-N 1 2 369.460 2.870 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1ccccn1 ZINC001263343693 1042251430 /nfs/dbraw/zinc/25/14/30/1042251430.db2.gz HACSQTKOXUEPJC-GOSISDBHSA-N 1 2 370.501 2.667 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1ccccn1 ZINC001263343693 1042251433 /nfs/dbraw/zinc/25/14/33/1042251433.db2.gz HACSQTKOXUEPJC-GOSISDBHSA-N 1 2 370.501 2.667 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc(C[NH+]2CCCC2)n1Cc1cccs1 ZINC001263488353 1042339334 /nfs/dbraw/zinc/33/93/34/1042339334.db2.gz HYWVQPVPNXZYOZ-MRXNPFEDSA-N 1 2 355.511 2.976 20 30 FFEDLO C=CC1CCN(c2nnc(Cc3[nH+]ccn3C)n2C[C@@H]2CCCCO2)CC1 ZINC001263585633 1042386470 /nfs/dbraw/zinc/38/64/70/1042386470.db2.gz WKESPYIRAHUIBX-KRWDZBQOSA-N 1 2 370.501 2.574 20 30 FFEDLO C=CCCCN(CC)c1nnc(Cc2[nH+]ccn2C)n1C[C@H]1CCCCO1 ZINC001263585077 1042386954 /nfs/dbraw/zinc/38/69/54/1042386954.db2.gz LBDOXTPLZFKMGR-QGZVFWFLSA-N 1 2 372.517 2.964 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCCO1 ZINC001263586933 1042387912 /nfs/dbraw/zinc/38/79/12/1042387912.db2.gz SZLYILDXUXKUEW-ZWKOTPCHSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCCO1 ZINC001263586933 1042387916 /nfs/dbraw/zinc/38/79/16/1042387916.db2.gz SZLYILDXUXKUEW-ZWKOTPCHSA-N 1 2 372.517 2.744 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)CCCC3CC3)[C@H]2C)c1 ZINC001264157389 1042642623 /nfs/dbraw/zinc/64/26/23/1042642623.db2.gz DOBRVCLRQPJQHN-UZLBHIALSA-N 1 2 367.493 2.766 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)CCCC3CC3)[C@H]2C)c1 ZINC001264157389 1042642626 /nfs/dbraw/zinc/64/26/26/1042642626.db2.gz DOBRVCLRQPJQHN-UZLBHIALSA-N 1 2 367.493 2.766 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(CCC)c(C)s2)[C@H]1C ZINC001264171669 1042651122 /nfs/dbraw/zinc/65/11/22/1042651122.db2.gz DNCQZZDIZRQLKO-CJNGLKHVSA-N 1 2 363.527 2.504 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(CCC)c(C)s2)[C@H]1C ZINC001264171669 1042651124 /nfs/dbraw/zinc/65/11/24/1042651124.db2.gz DNCQZZDIZRQLKO-CJNGLKHVSA-N 1 2 363.527 2.504 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)COc2ccccc2OCC)[C@H]1C ZINC001264171722 1042651554 /nfs/dbraw/zinc/65/15/54/1042651554.db2.gz FEOMXHKQYCUYQF-CABCVRRESA-N 1 2 352.862 2.796 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)COc2ccccc2OCC)[C@H]1C ZINC001264171722 1042651555 /nfs/dbraw/zinc/65/15/55/1042651555.db2.gz FEOMXHKQYCUYQF-CABCVRRESA-N 1 2 352.862 2.796 20 30 FFEDLO C=CCC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)[C@@H]1C)c1ccccc1 ZINC001264178272 1042655830 /nfs/dbraw/zinc/65/58/30/1042655830.db2.gz YGGDUCQWXNJYRV-AHRSYUTCSA-N 1 2 367.497 2.644 20 30 FFEDLO C=CCC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)[C@@H]1C)c1ccccc1 ZINC001264178272 1042655832 /nfs/dbraw/zinc/65/58/32/1042655832.db2.gz YGGDUCQWXNJYRV-AHRSYUTCSA-N 1 2 367.497 2.644 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001264368307 1042667301 /nfs/dbraw/zinc/66/73/01/1042667301.db2.gz CTNCRFKQLMXNDU-RBSFLKMASA-N 1 2 366.914 2.688 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001264368307 1042667307 /nfs/dbraw/zinc/66/73/07/1042667307.db2.gz CTNCRFKQLMXNDU-RBSFLKMASA-N 1 2 366.914 2.688 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C#N)CC[N@@H+]1Cc1nc(-c2ccccc2C)no1 ZINC001264603621 1042738522 /nfs/dbraw/zinc/73/85/22/1042738522.db2.gz ILHZKGRTCKZUFW-BHYGNILZSA-N 1 2 367.453 2.674 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C#N)CC[N@H+]1Cc1nc(-c2ccccc2C)no1 ZINC001264603621 1042738528 /nfs/dbraw/zinc/73/85/28/1042738528.db2.gz ILHZKGRTCKZUFW-BHYGNILZSA-N 1 2 367.453 2.674 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C(C)C)CC[C@@H]2C1 ZINC001264650015 1042769169 /nfs/dbraw/zinc/76/91/69/1042769169.db2.gz AOWLDKBKWNRXCD-KURKYZTESA-N 1 2 359.518 2.742 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C(C)C)CC[C@@H]2C1 ZINC001264650015 1042769172 /nfs/dbraw/zinc/76/91/72/1042769172.db2.gz AOWLDKBKWNRXCD-KURKYZTESA-N 1 2 359.518 2.742 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CCc2cncs2)[C@H]1C ZINC001264718953 1042800248 /nfs/dbraw/zinc/80/02/48/1042800248.db2.gz GHKGIHANEXBAJZ-YPMHNXCESA-N 1 2 358.305 2.563 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CCc2cncs2)[C@H]1C ZINC001264718953 1042800252 /nfs/dbraw/zinc/80/02/52/1042800252.db2.gz GHKGIHANEXBAJZ-YPMHNXCESA-N 1 2 358.305 2.563 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2ccco2)[C@@H]1C ZINC001264721033 1042802644 /nfs/dbraw/zinc/80/26/44/1042802644.db2.gz DVYYXPUTCACMEU-XHSDSOJGSA-N 1 2 361.486 2.638 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccco2)[C@@H]1C ZINC001264721033 1042802649 /nfs/dbraw/zinc/80/26/49/1042802649.db2.gz DVYYXPUTCACMEU-XHSDSOJGSA-N 1 2 361.486 2.638 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3OCCN(CCCC(F)(F)F)[C@H]3C2)c(F)c1 ZINC001279226016 1042952676 /nfs/dbraw/zinc/95/26/76/1042952676.db2.gz ITZYZXGDJWGSDP-IRXDYDNUSA-N 1 2 371.378 2.925 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3OCCN(CCCC(F)(F)F)[C@H]3C2)c(F)c1 ZINC001279226016 1042952677 /nfs/dbraw/zinc/95/26/77/1042952677.db2.gz ITZYZXGDJWGSDP-IRXDYDNUSA-N 1 2 371.378 2.925 20 30 FFEDLO COc1cc(C#N)ccc1C[NH+]1CC2(CN(C(=O)Cc3ccsc3)C2)C1 ZINC001279297319 1042988770 /nfs/dbraw/zinc/98/87/70/1042988770.db2.gz WIPBLCUREJTUQW-UHFFFAOYSA-N 1 2 367.474 2.515 20 30 FFEDLO COc1cc(C)ccc1CN1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001279400259 1043057679 /nfs/dbraw/zinc/05/76/79/1043057679.db2.gz XEPVSJGZQPAJDP-UHFFFAOYSA-N 1 2 350.466 2.532 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cccc(N)c2)Cc2nnn(CC3CC3)c21 ZINC001237217070 1043059597 /nfs/dbraw/zinc/05/95/97/1043059597.db2.gz VXMSMEITOCEQBW-KRWDZBQOSA-N 1 2 353.470 2.572 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](Cc2cccc(N)c2)Cc2nnn(CC3CC3)c21 ZINC001237217070 1043059605 /nfs/dbraw/zinc/05/96/05/1043059605.db2.gz VXMSMEITOCEQBW-KRWDZBQOSA-N 1 2 353.470 2.572 20 30 FFEDLO CCc1csc(C[N@@H+]2CC[C@H]3CN(Cc4cc(C#N)n(C)c4)C[C@H]32)n1 ZINC001279608174 1043331720 /nfs/dbraw/zinc/33/17/20/1043331720.db2.gz UDFHRMAHNDHLJQ-MAUKXSAKSA-N 1 2 355.511 2.622 20 30 FFEDLO CCc1csc(C[N@H+]2CC[C@H]3CN(Cc4cc(C#N)n(C)c4)C[C@H]32)n1 ZINC001279608174 1043331735 /nfs/dbraw/zinc/33/17/35/1043331735.db2.gz UDFHRMAHNDHLJQ-MAUKXSAKSA-N 1 2 355.511 2.622 20 30 FFEDLO C=C(C)c1cccc(C(C)(C)NC(=O)NC[C@H]([NH3+])C(=O)OC(C)(C)C)c1 ZINC001239255679 1044087733 /nfs/dbraw/zinc/08/77/33/1044087733.db2.gz PPLYTSAUVIETGN-INIZCTEOSA-N 1 2 361.486 2.923 20 30 FFEDLO Cc1c[nH]c(C[N@@H+]2CCc3cc(C(=O)N4CC(CC#N)C4)[nH]c3C2)c1C ZINC001280036648 1044115037 /nfs/dbraw/zinc/11/50/37/1044115037.db2.gz MCBWNYAYQPDPOH-UHFFFAOYSA-N 1 2 351.454 2.504 20 30 FFEDLO Cc1c[nH]c(C[N@H+]2CCc3cc(C(=O)N4CC(CC#N)C4)[nH]c3C2)c1C ZINC001280036648 1044115045 /nfs/dbraw/zinc/11/50/45/1044115045.db2.gz MCBWNYAYQPDPOH-UHFFFAOYSA-N 1 2 351.454 2.504 20 30 FFEDLO CCCCCCCCCCNC(=S)N1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001239417813 1044117522 /nfs/dbraw/zinc/11/75/22/1044117522.db2.gz TUMFBVLGGWZHHV-MRXNPFEDSA-N 1 2 357.564 2.839 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)C1 ZINC001313292674 1044302817 /nfs/dbraw/zinc/30/28/17/1044302817.db2.gz SRTBPJUMOCYPFT-IAGOWNOFSA-N 1 2 357.502 2.520 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)C1 ZINC001313292674 1044302834 /nfs/dbraw/zinc/30/28/34/1044302834.db2.gz SRTBPJUMOCYPFT-IAGOWNOFSA-N 1 2 357.502 2.520 20 30 FFEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3OC)no2)[C@@H]1C ZINC001316778525 1044936878 /nfs/dbraw/zinc/93/68/78/1044936878.db2.gz PDFNAONGKXJATD-ZBFHGGJFSA-N 1 2 370.453 2.790 20 30 FFEDLO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2nc(-c3ccccc3OC)no2)[C@@H]1C ZINC001316778525 1044936886 /nfs/dbraw/zinc/93/68/86/1044936886.db2.gz PDFNAONGKXJATD-ZBFHGGJFSA-N 1 2 370.453 2.790 20 30 FFEDLO Cc1ccccc1-c1noc(C[N@H+]2CC[C@H](NC(=O)C#CC(C)C)[C@H]2C)n1 ZINC001316781053 1044944922 /nfs/dbraw/zinc/94/49/22/1044944922.db2.gz HCDHEMCENMOORX-AEFFLSMTSA-N 1 2 366.465 2.783 20 30 FFEDLO Cc1ccccc1-c1noc(C[N@@H+]2CC[C@H](NC(=O)C#CC(C)C)[C@H]2C)n1 ZINC001316781053 1044944935 /nfs/dbraw/zinc/94/49/35/1044944935.db2.gz HCDHEMCENMOORX-AEFFLSMTSA-N 1 2 366.465 2.783 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001316781708 1044947140 /nfs/dbraw/zinc/94/71/40/1044947140.db2.gz UWFWEHUMNKBXQZ-BPAFIMBUSA-N 1 2 360.885 2.598 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001316781708 1044947153 /nfs/dbraw/zinc/94/71/53/1044947153.db2.gz UWFWEHUMNKBXQZ-BPAFIMBUSA-N 1 2 360.885 2.598 20 30 FFEDLO Cc1ccc(CC#N)c(-c2ccc(OCC[NH+]3CCOCC3)cc2F)n1 ZINC001244135433 1045086009 /nfs/dbraw/zinc/08/60/09/1045086009.db2.gz GDDWMIGYGIAORZ-UHFFFAOYSA-N 1 2 355.413 2.973 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001319472517 1045161365 /nfs/dbraw/zinc/16/13/65/1045161365.db2.gz JVNUTSIJOJZVAB-IEBWSBKVSA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001319472517 1045161370 /nfs/dbraw/zinc/16/13/70/1045161370.db2.gz JVNUTSIJOJZVAB-IEBWSBKVSA-N 1 2 373.453 2.730 20 30 FFEDLO C=CCn1cnn(C[N@@H+]2C[C@@H](C(=O)NCCCC)CC[C@@H]2C)c1=S ZINC001318015007 1045193130 /nfs/dbraw/zinc/19/31/30/1045193130.db2.gz XQMGSULIPHPPNA-GJZGRUSLSA-N 1 2 351.520 2.574 20 30 FFEDLO C=CCn1cnn(C[N@H+]2C[C@@H](C(=O)NCCCC)CC[C@@H]2C)c1=S ZINC001318015007 1045193137 /nfs/dbraw/zinc/19/31/37/1045193137.db2.gz XQMGSULIPHPPNA-GJZGRUSLSA-N 1 2 351.520 2.574 20 30 FFEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 ZINC001319657196 1045230279 /nfs/dbraw/zinc/23/02/79/1045230279.db2.gz USRWUOIQBJGETB-UHFFFAOYSA-N 1 2 373.478 2.647 20 30 FFEDLO C#CCOCC[N@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 ZINC001319657196 1045230289 /nfs/dbraw/zinc/23/02/89/1045230289.db2.gz USRWUOIQBJGETB-UHFFFAOYSA-N 1 2 373.478 2.647 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)OCC)CC1 ZINC001539440973 1070638230 /nfs/dbraw/zinc/63/82/30/1070638230.db2.gz GQBGXJVXBCGSRF-UHFFFAOYSA-N 1 2 367.497 2.515 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc4cccnc43)n2CCC)CC1 ZINC001539441923 1070638445 /nfs/dbraw/zinc/63/84/45/1070638445.db2.gz ZXOBHLHSBOMJTI-UHFFFAOYSA-N 1 2 360.465 2.659 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2Cc2ccc(Cl)cc2)CC1 ZINC001539454501 1070642038 /nfs/dbraw/zinc/64/20/38/1070642038.db2.gz QJUDDQXFIDITHU-UHFFFAOYSA-N 1 2 369.900 2.688 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 ZINC001320024926 1045330783 /nfs/dbraw/zinc/33/07/83/1045330783.db2.gz GWKUUXZOLMBBPO-IUODEOHRSA-N 1 2 368.355 2.614 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 ZINC001320024926 1045330786 /nfs/dbraw/zinc/33/07/86/1045330786.db2.gz GWKUUXZOLMBBPO-IUODEOHRSA-N 1 2 368.355 2.614 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC001320158858 1045358490 /nfs/dbraw/zinc/35/84/90/1045358490.db2.gz BDRWDKAZUGYSBF-ZDUSSCGKSA-N 1 2 366.462 2.606 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC001320158858 1045358494 /nfs/dbraw/zinc/35/84/94/1045358494.db2.gz BDRWDKAZUGYSBF-ZDUSSCGKSA-N 1 2 366.462 2.606 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001282131320 1045365795 /nfs/dbraw/zinc/36/57/95/1045365795.db2.gz WQGLKSPRYAEBLI-ZJIFWQFVSA-N 1 2 358.486 2.517 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001282131320 1045365802 /nfs/dbraw/zinc/36/58/02/1045365802.db2.gz WQGLKSPRYAEBLI-ZJIFWQFVSA-N 1 2 358.486 2.517 20 30 FFEDLO C=CCC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C3)CCC1 ZINC001282637472 1045999775 /nfs/dbraw/zinc/99/97/75/1045999775.db2.gz RTUCQGRRBSEFLD-RANZSIQMSA-N 1 2 370.497 2.583 20 30 FFEDLO C=CCC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C3)CCC1 ZINC001282637472 1045999786 /nfs/dbraw/zinc/99/97/86/1045999786.db2.gz RTUCQGRRBSEFLD-RANZSIQMSA-N 1 2 370.497 2.583 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1CC)C1CC[NH+]([C@H](C)c2nnc(CC)o2)CC1 ZINC001324420009 1046018283 /nfs/dbraw/zinc/01/82/83/1046018283.db2.gz ISJTUTGEFMBMAU-BFYDXBDKSA-N 1 2 358.486 2.665 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001282732024 1046138940 /nfs/dbraw/zinc/13/89/40/1046138940.db2.gz XFHNZLVVHKMCPG-PIKADFDJSA-N 1 2 370.497 2.605 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001282732024 1046138948 /nfs/dbraw/zinc/13/89/48/1046138948.db2.gz XFHNZLVVHKMCPG-PIKADFDJSA-N 1 2 370.497 2.605 20 30 FFEDLO CCOc1ccc(C[N@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC001322739002 1046204822 /nfs/dbraw/zinc/20/48/22/1046204822.db2.gz PCHIWUFLQAODAI-LJQANCHMSA-N 1 2 353.422 2.624 20 30 FFEDLO CCOc1ccc(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC001322739002 1046204837 /nfs/dbraw/zinc/20/48/37/1046204837.db2.gz PCHIWUFLQAODAI-LJQANCHMSA-N 1 2 353.422 2.624 20 30 FFEDLO C=CCN(C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001540056320 1070752979 /nfs/dbraw/zinc/75/29/79/1070752979.db2.gz BPWLVFHUJTULON-UHFFFAOYSA-N 1 2 352.442 2.978 20 30 FFEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1ncc(Cc2cccc(C)c2)s1 ZINC001323094539 1046341524 /nfs/dbraw/zinc/34/15/24/1046341524.db2.gz ZVGMCXWDGUAHRA-UHFFFAOYSA-N 1 2 357.479 2.562 20 30 FFEDLO C#CCOCC[N@H+](C)CC(=O)Nc1ncc(Cc2cccc(C)c2)s1 ZINC001323094539 1046341535 /nfs/dbraw/zinc/34/15/35/1046341535.db2.gz ZVGMCXWDGUAHRA-UHFFFAOYSA-N 1 2 357.479 2.562 20 30 FFEDLO C=CCO[C@H]1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC001325261113 1046442302 /nfs/dbraw/zinc/44/23/02/1046442302.db2.gz BOAVMNGADDSCFK-INIZCTEOSA-N 1 2 356.426 2.771 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001286353770 1047081482 /nfs/dbraw/zinc/08/14/82/1047081482.db2.gz HRYCFDSVWAIXJO-GVDBMIGSSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001286353770 1047081497 /nfs/dbraw/zinc/08/14/97/1047081497.db2.gz HRYCFDSVWAIXJO-GVDBMIGSSA-N 1 2 370.497 2.567 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(OC)cc2)CC1 ZINC001286473196 1047121161 /nfs/dbraw/zinc/12/11/61/1047121161.db2.gz YOAAOIVRNKXTIE-QGZVFWFLSA-N 1 2 367.497 2.604 20 30 FFEDLO C=CCN(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001286729124 1047165450 /nfs/dbraw/zinc/16/54/50/1047165450.db2.gz OMQKYFYOVLPPGY-QGZVFWFLSA-N 1 2 368.485 2.795 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001288720216 1047502611 /nfs/dbraw/zinc/50/26/11/1047502611.db2.gz LNFNVACKZRNCRD-IAGOWNOFSA-N 1 2 370.497 2.781 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001288720216 1047502626 /nfs/dbraw/zinc/50/26/26/1047502626.db2.gz LNFNVACKZRNCRD-IAGOWNOFSA-N 1 2 370.497 2.781 20 30 FFEDLO C=CCNC(=O)c1ccccc1NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001540654218 1070958053 /nfs/dbraw/zinc/95/80/53/1070958053.db2.gz UADXONZQNNYYBV-UHFFFAOYSA-N 1 2 362.389 2.746 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@@H]1CC ZINC001290460776 1048142311 /nfs/dbraw/zinc/14/23/11/1048142311.db2.gz ZDZFSQPZIDWRCO-SOLBZPMBSA-N 1 2 370.497 2.519 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@@]3(CNC(=O)Cc4c[nH]c[nH+]4)CCC[C@@H]23)CC1 ZINC001291740586 1048889786 /nfs/dbraw/zinc/88/97/86/1048889786.db2.gz QPPKVHRAZMRMDC-WIYYLYMNSA-N 1 2 370.497 2.586 20 30 FFEDLO CCCCCCCCCN(C)C(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC001331014756 1049438657 /nfs/dbraw/zinc/43/86/57/1049438657.db2.gz XOQNNUVJDGPASX-KRWDZBQOSA-N 1 2 362.518 2.945 20 30 FFEDLO Cc1ccc(C(=O)/C=C/C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001295445589 1049928508 /nfs/dbraw/zinc/92/85/08/1049928508.db2.gz CYGYZKYVHICQDG-MDZDMXLPSA-N 1 2 358.482 2.551 20 30 FFEDLO C=CCC1(C(=O)N(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)CCCC1 ZINC001296596638 1050074827 /nfs/dbraw/zinc/07/48/27/1050074827.db2.gz WYDVGOZOKLRVND-IAGOWNOFSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC1(C(=O)N(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)CCCC1 ZINC001296596638 1050074832 /nfs/dbraw/zinc/07/48/32/1050074832.db2.gz WYDVGOZOKLRVND-IAGOWNOFSA-N 1 2 370.497 2.757 20 30 FFEDLO COCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(C)(C)CC1 ZINC001341671715 1050294605 /nfs/dbraw/zinc/29/46/05/1050294605.db2.gz QFSOLFQRAASMMT-UHFFFAOYSA-N 1 2 374.533 2.644 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001299042983 1050580522 /nfs/dbraw/zinc/58/05/22/1050580522.db2.gz GKGWQRAQOJVEPV-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001299042983 1050580534 /nfs/dbraw/zinc/58/05/34/1050580534.db2.gz GKGWQRAQOJVEPV-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(C)=C(C)C1 ZINC001342012983 1050608970 /nfs/dbraw/zinc/60/89/70/1050608970.db2.gz PHNUYSPRZFTUBQ-QZTJIDSGSA-N 1 2 357.502 2.936 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(C)=C(C)C1 ZINC001342012983 1050608979 /nfs/dbraw/zinc/60/89/79/1050608979.db2.gz PHNUYSPRZFTUBQ-QZTJIDSGSA-N 1 2 357.502 2.936 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC(C)=C(C)C1 ZINC001342012984 1050609222 /nfs/dbraw/zinc/60/92/22/1050609222.db2.gz PHNUYSPRZFTUBQ-ROUUACIJSA-N 1 2 357.502 2.936 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC(C)=C(C)C1 ZINC001342012984 1050609236 /nfs/dbraw/zinc/60/92/36/1050609236.db2.gz PHNUYSPRZFTUBQ-ROUUACIJSA-N 1 2 357.502 2.936 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(CC1CCCCC1)C1CC1 ZINC001342061126 1050658152 /nfs/dbraw/zinc/65/81/52/1050658152.db2.gz CTWAQFGSDXSAML-ROUUACIJSA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(CC1CCCCC1)C1CC1 ZINC001342061126 1050658155 /nfs/dbraw/zinc/65/81/55/1050658155.db2.gz CTWAQFGSDXSAML-ROUUACIJSA-N 1 2 359.518 2.751 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)cc1C#N ZINC001340288479 1050691260 /nfs/dbraw/zinc/69/12/60/1050691260.db2.gz NDILARPMLBJDMI-AWEZNQCLSA-N 1 2 368.462 2.514 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001340315429 1050713768 /nfs/dbraw/zinc/71/37/68/1050713768.db2.gz CIQQCSADRGZRMS-FCGDIQPGSA-N 1 2 369.513 2.792 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001340315429 1050713776 /nfs/dbraw/zinc/71/37/76/1050713776.db2.gz CIQQCSADRGZRMS-FCGDIQPGSA-N 1 2 369.513 2.792 20 30 FFEDLO C=CCn1c([C@@H](C)CCC#N)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001340345746 1050742006 /nfs/dbraw/zinc/74/20/06/1050742006.db2.gz JWDASKJUNWZPJZ-INIZCTEOSA-N 1 2 351.458 2.593 20 30 FFEDLO C=CCn1c(N2CCc3cc[nH+]c(N(C)C)c3C2)nnc1C(C)(C)CC#N ZINC001342241137 1050831207 /nfs/dbraw/zinc/83/12/07/1050831207.db2.gz LNQBRXOSHLLTPV-UHFFFAOYSA-N 1 2 365.485 2.679 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C[C@H]1CCC(=O)N1)C(C)C ZINC001342327815 1050921190 /nfs/dbraw/zinc/92/11/90/1050921190.db2.gz FVIPQCPJZRFFRN-IAGOWNOFSA-N 1 2 374.533 2.504 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N(C[C@H]1CCC(=O)N1)C(C)C ZINC001342327815 1050921204 /nfs/dbraw/zinc/92/12/04/1050921204.db2.gz FVIPQCPJZRFFRN-IAGOWNOFSA-N 1 2 374.533 2.504 20 30 FFEDLO C#CC1CCN(c2nnc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)n2CC(=C)C)CC1 ZINC001342344265 1050939865 /nfs/dbraw/zinc/93/98/65/1050939865.db2.gz NFOIFEKRHHIXOA-OALUTQOASA-N 1 2 369.513 2.630 20 30 FFEDLO C#CC1CCN(c2nnc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)n2CC(=C)C)CC1 ZINC001342344265 1050939876 /nfs/dbraw/zinc/93/98/76/1050939876.db2.gz NFOIFEKRHHIXOA-OALUTQOASA-N 1 2 369.513 2.630 20 30 FFEDLO C=CCn1c(N2CC=C(C(C)(C)C)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001340569730 1050956340 /nfs/dbraw/zinc/95/63/40/1050956340.db2.gz DTZAYXBJBIRCKA-OXJNMPFZSA-N 1 2 359.518 2.558 20 30 FFEDLO C=CCn1c(N2CC=C(C(C)(C)C)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001340569730 1050956350 /nfs/dbraw/zinc/95/63/50/1050956350.db2.gz DTZAYXBJBIRCKA-OXJNMPFZSA-N 1 2 359.518 2.558 20 30 FFEDLO C=C(C)CN(C)c1nnc(C[NH+]2CCC(CO)CC2)n1Cc1ccccc1 ZINC001340592672 1050978134 /nfs/dbraw/zinc/97/81/34/1050978134.db2.gz FQXHQCVXFCEQAI-UHFFFAOYSA-N 1 2 369.513 2.543 20 30 FFEDLO C[C@@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001301974384 1051024070 /nfs/dbraw/zinc/02/40/70/1051024070.db2.gz PNACQAWNPQILGG-HNNXBMFYSA-N 1 2 369.517 2.972 20 30 FFEDLO C=CCn1c(N2Cc3ccccc3[C@@H]2CC)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001340714734 1051075853 /nfs/dbraw/zinc/07/58/53/1051075853.db2.gz CICAAGADNIINSD-DJPFJPOOSA-N 1 2 367.497 2.847 20 30 FFEDLO C=CCn1c(N2Cc3ccccc3[C@@H]2CC)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001340714734 1051075859 /nfs/dbraw/zinc/07/58/59/1051075859.db2.gz CICAAGADNIINSD-DJPFJPOOSA-N 1 2 367.497 2.847 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCc2ccccc2[C@@H](C)C1 ZINC001340733568 1051092708 /nfs/dbraw/zinc/09/27/08/1051092708.db2.gz RGFWYMIMJMYXKM-INIZCTEOSA-N 1 2 362.481 2.955 20 30 FFEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)C[C@@H](C)C#N ZINC001343013131 1051629734 /nfs/dbraw/zinc/62/97/34/1051629734.db2.gz UIAIRAXKFGXUMX-INIZCTEOSA-N 1 2 357.506 2.623 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@](C)(CC)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001343404053 1052208410 /nfs/dbraw/zinc/20/84/10/1052208410.db2.gz ISMDZOUWBXEXFX-LSTHTHJFSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@](C)(CC)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001343404053 1052208418 /nfs/dbraw/zinc/20/84/18/1052208418.db2.gz ISMDZOUWBXEXFX-LSTHTHJFSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001343419421 1052219438 /nfs/dbraw/zinc/21/94/38/1052219438.db2.gz MYGOLTIIBIFHFQ-PGRDOPGGSA-N 1 2 374.492 2.956 20 30 FFEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@H](C)CC#N ZINC001345109633 1052264568 /nfs/dbraw/zinc/26/45/68/1052264568.db2.gz ICHZJHPZXBTSPA-MRXNPFEDSA-N 1 2 357.506 2.766 20 30 FFEDLO Cc1cc([C@H]2CCCC[N@@H+]2CC#CCN2C(=O)c3ccccc3C2=O)[nH]n1 ZINC001308109474 1052409333 /nfs/dbraw/zinc/40/93/33/1052409333.db2.gz RJUQYFMSPCHNOY-LJQANCHMSA-N 1 2 362.433 2.545 20 30 FFEDLO Cc1cc([C@H]2CCCC[N@H+]2CC#CCN2C(=O)c3ccccc3C2=O)[nH]n1 ZINC001308109474 1052409335 /nfs/dbraw/zinc/40/93/35/1052409335.db2.gz RJUQYFMSPCHNOY-LJQANCHMSA-N 1 2 362.433 2.545 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001344278880 1052678707 /nfs/dbraw/zinc/67/87/07/1052678707.db2.gz MAYZHBIJEIUJNK-OWCLPIDISA-N 1 2 360.502 2.592 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001344278880 1052678710 /nfs/dbraw/zinc/67/87/10/1052678710.db2.gz MAYZHBIJEIUJNK-OWCLPIDISA-N 1 2 360.502 2.592 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2CCCC[N@H+]2C)n1C[C@H]1CCCCO1 ZINC001344292349 1052689852 /nfs/dbraw/zinc/68/98/52/1052689852.db2.gz DPWGKKHYEZJQCL-QRVBRYPASA-N 1 2 371.529 2.996 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2CCCC[N@@H+]2C)n1C[C@H]1CCCCO1 ZINC001344292349 1052689857 /nfs/dbraw/zinc/68/98/57/1052689857.db2.gz DPWGKKHYEZJQCL-QRVBRYPASA-N 1 2 371.529 2.996 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001574657681 1078050705 /nfs/dbraw/zinc/05/07/05/1078050705.db2.gz WHOPCYQPYUQDLI-IWLLQYOYSA-N 1 2 370.497 2.613 20 30 FFEDLO CC(C)Cn1c(CC(C)(C)C#N)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001344346929 1052726690 /nfs/dbraw/zinc/72/66/90/1052726690.db2.gz SJYMOYZOUIOJKK-UHFFFAOYSA-N 1 2 367.501 2.748 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001574657681 1078050709 /nfs/dbraw/zinc/05/07/09/1078050709.db2.gz WHOPCYQPYUQDLI-IWLLQYOYSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C[C@H](CC(=O)N[C@H]1CCOC[C@H]1Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001347377882 1053910763 /nfs/dbraw/zinc/91/07/63/1053910763.db2.gz QHWRXYNPJNPHRE-NZSAHSFTSA-N 1 2 366.465 2.831 20 30 FFEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)ccc1OC ZINC001543407176 1071468669 /nfs/dbraw/zinc/46/86/69/1071468669.db2.gz WYRQYOYZSULFMS-RRFJBIMHSA-N 1 2 354.410 2.519 20 30 FFEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccc1OC ZINC001543407176 1071468676 /nfs/dbraw/zinc/46/86/76/1071468676.db2.gz WYRQYOYZSULFMS-RRFJBIMHSA-N 1 2 354.410 2.519 20 30 FFEDLO CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001337185705 1054541260 /nfs/dbraw/zinc/54/12/60/1054541260.db2.gz KAFFQMAHWYARRT-IKGGRYGDSA-N 1 2 374.485 2.599 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1Cc2ccccc2[C@@H]1C ZINC001351722334 1054968640 /nfs/dbraw/zinc/96/86/40/1054968640.db2.gz CCHUGKIHEIGBQD-INIZCTEOSA-N 1 2 367.497 2.750 20 30 FFEDLO C=CCCCN(CC)C(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC001349366507 1055209796 /nfs/dbraw/zinc/20/97/96/1055209796.db2.gz GZAJSWLNJUERMU-QGZVFWFLSA-N 1 2 373.497 2.833 20 30 FFEDLO CN(c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@@H]1CCCCO1)C1CC1 ZINC001349425819 1055250096 /nfs/dbraw/zinc/25/00/96/1055250096.db2.gz VTVFSBWYZUQYHX-SFHVURJKSA-N 1 2 372.517 2.539 20 30 FFEDLO CCc1cnc(CN(C)c2nnc(C3CC[NH+](CCC#N)CC3)n2C)s1 ZINC001338138803 1055263100 /nfs/dbraw/zinc/26/31/00/1055263100.db2.gz NDFHQLWBFRTHBI-UHFFFAOYSA-N 1 2 373.530 2.563 20 30 FFEDLO CSc1nc(C2CC2)cc(C(=O)NCc2coc(C[NH+](C)C)n2)c1C#N ZINC001349519586 1055313696 /nfs/dbraw/zinc/31/36/96/1055313696.db2.gz DDMUOZCPOACGFC-UHFFFAOYSA-N 1 2 371.466 2.532 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C/C=C/C)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001356135251 1055321506 /nfs/dbraw/zinc/32/15/06/1055321506.db2.gz VCJXEASPISZFAC-SBTJSFKZSA-N 1 2 359.518 2.558 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C/C=C/C)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001356135251 1055321522 /nfs/dbraw/zinc/32/15/22/1055321522.db2.gz VCJXEASPISZFAC-SBTJSFKZSA-N 1 2 359.518 2.558 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](CC)[N@@H+]2CCO[C@H](CC)C2)c1 ZINC001543757356 1071540242 /nfs/dbraw/zinc/54/02/42/1071540242.db2.gz SVGARLMITHCZRA-GGPKGHCWSA-N 1 2 373.497 2.873 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](CC)[N@H+]2CCO[C@H](CC)C2)c1 ZINC001543757356 1071540244 /nfs/dbraw/zinc/54/02/44/1071540244.db2.gz SVGARLMITHCZRA-GGPKGHCWSA-N 1 2 373.497 2.873 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H](OCCC)CC1 ZINC001356153225 1055337211 /nfs/dbraw/zinc/33/72/11/1055337211.db2.gz XCFICMWFMRPIER-INIZCTEOSA-N 1 2 358.490 2.574 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H](OCCC)CC1 ZINC001356153226 1055338348 /nfs/dbraw/zinc/33/83/48/1055338348.db2.gz XCFICMWFMRPIER-MRXNPFEDSA-N 1 2 358.490 2.574 20 30 FFEDLO C#CC[C@@H](CC)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC=C ZINC001356192287 1055371491 /nfs/dbraw/zinc/37/14/91/1055371491.db2.gz HGTDECRKSAXMCR-QGZVFWFLSA-N 1 2 350.470 2.703 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1C ZINC001338505924 1055577196 /nfs/dbraw/zinc/57/71/96/1055577196.db2.gz OHLAVFORHRDUCL-IRXDYDNUSA-N 1 2 360.506 2.507 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1C ZINC001338505924 1055577207 /nfs/dbraw/zinc/57/72/07/1055577207.db2.gz OHLAVFORHRDUCL-IRXDYDNUSA-N 1 2 360.506 2.507 20 30 FFEDLO C[C@H](C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1)C(C)(F)F ZINC001350311177 1055718789 /nfs/dbraw/zinc/71/87/89/1055718789.db2.gz HVNLCUTZXCDFMP-CYBMUJFWSA-N 1 2 357.422 2.766 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)C1CCSCC1 ZINC001350311720 1055719157 /nfs/dbraw/zinc/71/91/57/1055719157.db2.gz NWFLHZGDGAPKQO-UHFFFAOYSA-N 1 2 365.520 2.618 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001338895580 1055912279 /nfs/dbraw/zinc/91/22/79/1055912279.db2.gz KLWKFSPZNXZQEW-AEFFLSMTSA-N 1 2 369.517 2.738 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001338895580 1055912288 /nfs/dbraw/zinc/91/22/88/1055912288.db2.gz KLWKFSPZNXZQEW-AEFFLSMTSA-N 1 2 369.517 2.738 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC001338963974 1055971115 /nfs/dbraw/zinc/97/11/15/1055971115.db2.gz VOKDTSXSRHKQCK-QXAKKESOSA-N 1 2 373.545 2.683 20 30 FFEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCO[C@H](C)C1 ZINC001338995778 1055999334 /nfs/dbraw/zinc/99/93/34/1055999334.db2.gz SRIAAMAQCLNKRS-IAGOWNOFSA-N 1 2 355.486 2.882 20 30 FFEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCO[C@H](C)C1 ZINC001338995778 1055999345 /nfs/dbraw/zinc/99/93/45/1055999345.db2.gz SRIAAMAQCLNKRS-IAGOWNOFSA-N 1 2 355.486 2.882 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)C1(C)C ZINC001353108784 1056076452 /nfs/dbraw/zinc/07/64/52/1056076452.db2.gz IJCDXUAXZKCPHJ-BBRMVZONSA-N 1 2 366.408 2.506 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1Cc2cc(F)c(F)cc2C1 ZINC001339212720 1056210488 /nfs/dbraw/zinc/21/04/88/1056210488.db2.gz YHPGTUINMKGVQJ-UHFFFAOYSA-N 1 2 356.380 2.587 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCCC2(CCCC2)CC1 ZINC001339528253 1056550348 /nfs/dbraw/zinc/55/03/48/1056550348.db2.gz ABXBBVWXVPVUOZ-IAGOWNOFSA-N 1 2 359.518 2.752 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCCC2(CCCC2)CC1 ZINC001339528253 1056550360 /nfs/dbraw/zinc/55/03/60/1056550360.db2.gz ABXBBVWXVPVUOZ-IAGOWNOFSA-N 1 2 359.518 2.752 20 30 FFEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(C)(C)C#N)n1C ZINC001339537752 1056559883 /nfs/dbraw/zinc/55/98/83/1056559883.db2.gz YQOJQCFQBMEYGN-UHFFFAOYSA-N 1 2 367.501 2.754 20 30 FFEDLO C#CCN(CC#CC)c1nnc(C(C)C)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001358985187 1056634914 /nfs/dbraw/zinc/63/49/14/1056634914.db2.gz RPMJKLZXQRMRBD-GOSISDBHSA-N 1 2 364.497 2.947 20 30 FFEDLO Cc1cnc(F)c(C(=O)OCC#Cc2csc(C[NH+]3CCOCC3)c2)c1 ZINC001518017931 1058238897 /nfs/dbraw/zinc/23/88/97/1058238897.db2.gz NLLIMVLIAWNRLG-UHFFFAOYSA-N 1 2 374.437 2.631 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1CC[NH+](Cc2cnns2)CC1 ZINC001500037396 1058430823 /nfs/dbraw/zinc/43/08/23/1058430823.db2.gz GJOVYTLPKKMDDD-JTDSTZFVSA-N 1 2 370.522 2.567 20 30 FFEDLO C=C(C)Cn1c(N2CCCCCCCC2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001515003385 1059210557 /nfs/dbraw/zinc/21/05/57/1059210557.db2.gz MMCGFPBYMGSOBV-FXAWDEMLSA-N 1 2 361.534 2.926 20 30 FFEDLO C=C(C)Cn1c(N2CCCCCCCC2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001515003385 1059210575 /nfs/dbraw/zinc/21/05/75/1059210575.db2.gz MMCGFPBYMGSOBV-FXAWDEMLSA-N 1 2 361.534 2.926 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC2(CCCCO2)CC1 ZINC001515031776 1059241591 /nfs/dbraw/zinc/24/15/91/1059241591.db2.gz OLCMXQKUYZBRQZ-UHFFFAOYSA-N 1 2 359.518 2.990 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2CC)CCC1 ZINC001520027855 1059321558 /nfs/dbraw/zinc/32/15/58/1059321558.db2.gz ZXHAIGYYIZAARQ-DLBZAZTESA-N 1 2 358.486 2.515 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2C/C=C\CC)CC1 ZINC001300692873 1059365692 /nfs/dbraw/zinc/36/56/92/1059365692.db2.gz OBOWJHHFTNHWFW-YVMONPNESA-N 1 2 353.445 2.806 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2Cc2ccc(F)c(C)c2)CC1 ZINC001300701303 1059410602 /nfs/dbraw/zinc/41/06/02/1059410602.db2.gz NYDDSNDRZQOMDS-UHFFFAOYSA-N 1 2 369.488 2.728 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCCC[C@H]1CC1CCC1 ZINC001520289141 1059574776 /nfs/dbraw/zinc/57/47/76/1059574776.db2.gz LCJSFIOFLYOIIU-KSZLIROESA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCCC[C@H]1CC1CCC1 ZINC001520289141 1059574799 /nfs/dbraw/zinc/57/47/99/1059574799.db2.gz LCJSFIOFLYOIIU-KSZLIROESA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(NC(=O)CCC)CC1 ZINC001520304754 1059589955 /nfs/dbraw/zinc/58/99/55/1059589955.db2.gz AUXHSYRYKPRJLT-QGZVFWFLSA-N 1 2 374.533 2.506 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(NC(=O)CCC)CC1 ZINC001520304754 1059589974 /nfs/dbraw/zinc/58/99/74/1059589974.db2.gz AUXHSYRYKPRJLT-QGZVFWFLSA-N 1 2 374.533 2.506 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CC[C@H](F)C2)CC1 ZINC001507720810 1059699609 /nfs/dbraw/zinc/69/96/09/1059699609.db2.gz MVMOCVMUJOPBJZ-IRXDYDNUSA-N 1 2 371.460 2.740 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2CCc2sccc2C)CC1 ZINC001507730902 1059703154 /nfs/dbraw/zinc/70/31/54/1059703154.db2.gz YLIAYMCTBHEAGS-UHFFFAOYSA-N 1 2 371.554 2.844 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CC2CCC(OC)CC2)CC1 ZINC001507722150 1059703947 /nfs/dbraw/zinc/70/39/47/1059703947.db2.gz QGHCSYAEKCWXPP-VIQWUECVSA-N 1 2 373.545 2.752 20 30 FFEDLO C=CCN(CC=C)c1nnc(CC2CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001508021680 1059796055 /nfs/dbraw/zinc/79/60/55/1059796055.db2.gz PFTWIGYEWBDMIY-UHFFFAOYSA-N 1 2 352.486 2.918 20 30 FFEDLO COc1ccc(Cn2nc(C)c(C=NNCCCn3cc[nH+]c3)c2C)cc1 ZINC000848416983 1059971872 /nfs/dbraw/zinc/97/18/72/1059971872.db2.gz GKQUXMQOGGKFLU-UHFFFAOYSA-N 1 2 366.469 2.767 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCCO1 ZINC001516568153 1060149950 /nfs/dbraw/zinc/14/99/50/1060149950.db2.gz VSKOIVDUIWURFD-ZWKOTPCHSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCCO1 ZINC001516568153 1060149959 /nfs/dbraw/zinc/14/99/59/1060149959.db2.gz VSKOIVDUIWURFD-ZWKOTPCHSA-N 1 2 372.517 2.744 20 30 FFEDLO Cn1c([C@@H]2CCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001355564354 1060364432 /nfs/dbraw/zinc/36/44/32/1060364432.db2.gz DDXSWBRTUNJRDE-MSOLQXFVSA-N 1 2 350.470 2.892 20 30 FFEDLO Cn1c([C@@H]2CCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001355564354 1060364453 /nfs/dbraw/zinc/36/44/53/1060364453.db2.gz DDXSWBRTUNJRDE-MSOLQXFVSA-N 1 2 350.470 2.892 20 30 FFEDLO C=CCC[C@H]1CCCN1c1nnc(C[NH+]2CCC(CO)CC2)n1CC1CC1 ZINC001521107217 1060394082 /nfs/dbraw/zinc/39/40/82/1060394082.db2.gz NWZTYTLMVZRLRR-IBGZPJMESA-N 1 2 373.545 2.827 20 30 FFEDLO C=C[C@@H](O)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CC(C)C ZINC001517390094 1060480659 /nfs/dbraw/zinc/48/06/59/1060480659.db2.gz QTSQFVDHQDUPPH-GOSISDBHSA-N 1 2 373.476 2.615 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001521333110 1060539961 /nfs/dbraw/zinc/53/99/61/1060539961.db2.gz KOXYXWAOSVJYMB-UHFFFAOYSA-N 1 2 352.438 2.521 20 30 FFEDLO N#Cc1cc(F)c(C(F)(F)F)cc1NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001458269403 1060552645 /nfs/dbraw/zinc/55/26/45/1060552645.db2.gz WNFCZNYCFPBFBN-HNNXBMFYSA-N 1 2 371.334 2.908 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001459799806 1060820657 /nfs/dbraw/zinc/82/06/57/1060820657.db2.gz RHLHACHJGKXHNV-ZNMIVQPWSA-N 1 2 363.408 2.917 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001459799806 1060820665 /nfs/dbraw/zinc/82/06/65/1060820665.db2.gz RHLHACHJGKXHNV-ZNMIVQPWSA-N 1 2 363.408 2.917 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](CO)c2cc(F)ccc2F)c(C#N)c1C ZINC001460950160 1061162259 /nfs/dbraw/zinc/16/22/59/1061162259.db2.gz NBZYLGPVLAUZDG-MGPLVRAMSA-N 1 2 363.364 2.697 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC001475619488 1061169174 /nfs/dbraw/zinc/16/91/74/1061169174.db2.gz VRTSFXOQWANFIG-HNNXBMFYSA-N 1 2 358.448 2.536 20 30 FFEDLO Cc1cnc(C(=O)OCC#Cc2csc(C[NH+]3CCOCC3)c2)c(C)c1 ZINC001526992181 1061351219 /nfs/dbraw/zinc/35/12/19/1061351219.db2.gz KEBUTRNVEXMMRU-UHFFFAOYSA-N 1 2 370.474 2.801 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2CCCC[N@H+]2C)n1Cc1cc(C)on1 ZINC001528340811 1061868490 /nfs/dbraw/zinc/86/84/90/1061868490.db2.gz IYZJGGGSQMTZHX-QZTJIDSGSA-N 1 2 368.485 2.772 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2CCCC[N@@H+]2C)n1Cc1cc(C)on1 ZINC001528340811 1061868503 /nfs/dbraw/zinc/86/85/03/1061868503.db2.gz IYZJGGGSQMTZHX-QZTJIDSGSA-N 1 2 368.485 2.772 20 30 FFEDLO N#Cc1ccc(CNC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)nc1 ZINC001478715201 1062092038 /nfs/dbraw/zinc/09/20/38/1062092038.db2.gz GVWFFDKGFUJFDL-UHFFFAOYSA-N 1 2 366.812 2.792 20 30 FFEDLO COCCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)C[C@@H](C)C#N ZINC001523611322 1062543451 /nfs/dbraw/zinc/54/34/51/1062543451.db2.gz FJVCHSGTRPEVFU-IRXDYDNUSA-N 1 2 370.501 2.713 20 30 FFEDLO COCCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)C[C@@H](C)C#N ZINC001523611322 1062543464 /nfs/dbraw/zinc/54/34/64/1062543464.db2.gz FJVCHSGTRPEVFU-IRXDYDNUSA-N 1 2 370.501 2.713 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2ccccc2F)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001523779913 1062619533 /nfs/dbraw/zinc/61/95/33/1062619533.db2.gz XRCIGHUKPAADDW-JXFKEZNVSA-N 1 2 373.476 2.541 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2ccccc2F)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001523779913 1062619541 /nfs/dbraw/zinc/61/95/41/1062619541.db2.gz XRCIGHUKPAADDW-JXFKEZNVSA-N 1 2 373.476 2.541 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1C[C@H](C)OC2(CCCC2)C1 ZINC001523813374 1062631331 /nfs/dbraw/zinc/63/13/31/1062631331.db2.gz VYYQYLADWHSPMF-INIZCTEOSA-N 1 2 370.501 2.716 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H](CC)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001531300441 1062738637 /nfs/dbraw/zinc/73/86/37/1062738637.db2.gz PFGAXHRARXNKQJ-BZUAXINKSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H](CC)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001531300441 1062738659 /nfs/dbraw/zinc/73/86/59/1062738659.db2.gz PFGAXHRARXNKQJ-BZUAXINKSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[C@H]([C@H]2CCCO2)C1 ZINC001524346937 1062811296 /nfs/dbraw/zinc/81/12/96/1062811296.db2.gz KYOUAUIVWRRZMT-ZWKOTPCHSA-N 1 2 359.518 2.845 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC(F)CC1 ZINC001524357840 1062812295 /nfs/dbraw/zinc/81/22/95/1062812295.db2.gz CXLKEBRVQUYIJI-DLBZAZTESA-N 1 2 363.481 2.718 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC(F)CC1 ZINC001524357840 1062812316 /nfs/dbraw/zinc/81/23/16/1062812316.db2.gz CXLKEBRVQUYIJI-DLBZAZTESA-N 1 2 363.481 2.718 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)CCn2cccn2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001479698452 1062815335 /nfs/dbraw/zinc/81/53/35/1062815335.db2.gz XZFKDZJZUYNLGO-APWZRJJASA-N 1 2 370.884 2.557 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)CCn2cccn2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001479698452 1062815359 /nfs/dbraw/zinc/81/53/59/1062815359.db2.gz XZFKDZJZUYNLGO-APWZRJJASA-N 1 2 370.884 2.557 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3ccc(C#N)s3)C2)c1 ZINC001532313203 1063029728 /nfs/dbraw/zinc/02/97/28/1063029728.db2.gz IJUSKIHDRSVOPJ-INIZCTEOSA-N 1 2 355.463 2.559 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3ccc(C#N)s3)C2)c1 ZINC001532313203 1063029749 /nfs/dbraw/zinc/02/97/49/1063029749.db2.gz IJUSKIHDRSVOPJ-INIZCTEOSA-N 1 2 355.463 2.559 20 30 FFEDLO Cc1cccn2cc(CC(=O)Nc3cnn(Cc4ccc(C#N)cc4)c3)[nH+]c12 ZINC001532781826 1063173152 /nfs/dbraw/zinc/17/31/52/1063173152.db2.gz YGMHXJXISYZERS-UHFFFAOYSA-N 1 2 370.416 2.940 20 30 FFEDLO C#Cc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC001467487615 1063758502 /nfs/dbraw/zinc/75/85/02/1063758502.db2.gz DZXFUBXZJBQRAN-NRFANRHFSA-N 1 2 363.461 2.733 20 30 FFEDLO C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]([NH2+]CC(F)F)C1 ZINC001574916230 1078092985 /nfs/dbraw/zinc/09/29/85/1078092985.db2.gz VCQSVACOIFWAPB-HUUCEWRRSA-N 1 2 369.460 2.572 20 30 FFEDLO C=CCSCCn1c(C2CC2)nnc1N1CCC[C@H]([NH2+]CC(F)F)C1 ZINC001574950630 1078095840 /nfs/dbraw/zinc/09/58/40/1078095840.db2.gz KYXQDCXXLBJZPF-AWEZNQCLSA-N 1 2 371.501 2.898 20 30 FFEDLO C=CCC[C@H](C)[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)[C@H](F)CC)CC1 ZINC001575087495 1078104458 /nfs/dbraw/zinc/10/44/58/1078104458.db2.gz IHQNVKVTVDJUON-WMLDXEAASA-N 1 2 351.470 2.701 20 30 FFEDLO C[C@@H](CN(C)C(=O)c1ccc(-c2cn[nH]n2)cc1)[NH2+]Cc1ccccc1C#N ZINC001575556059 1078153036 /nfs/dbraw/zinc/15/30/36/1078153036.db2.gz NNUQKTPTGQPEOV-HNNXBMFYSA-N 1 2 374.448 2.594 20 30 FFEDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cc(=O)n3ncc(C#N)c3[nH]2)[C@H](C)CO1 ZINC001473173581 1065212178 /nfs/dbraw/zinc/21/21/78/1065212178.db2.gz OARKFXTZGPDGIF-KDOFPFPSSA-N 1 2 363.421 2.577 20 30 FFEDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cc(=O)n3ncc(C#N)c3[nH]2)[C@H](C)CO1 ZINC001473173581 1065212183 /nfs/dbraw/zinc/21/21/83/1065212183.db2.gz OARKFXTZGPDGIF-KDOFPFPSSA-N 1 2 363.421 2.577 20 30 FFEDLO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1c(C(=O)OCC)cnn1-c1ccccc1 ZINC001473864576 1065396315 /nfs/dbraw/zinc/39/63/15/1065396315.db2.gz AVSQROMJRWLQHK-OAHLLOKOSA-N 1 2 368.437 2.638 20 30 FFEDLO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1c(C(=O)OCC)cnn1-c1ccccc1 ZINC001473864576 1065396320 /nfs/dbraw/zinc/39/63/20/1065396320.db2.gz AVSQROMJRWLQHK-OAHLLOKOSA-N 1 2 368.437 2.638 20 30 FFEDLO Cc1nn(C(C)(C)C)c2nc(Cl)c(C[N@@H+]3CC[C@](O)(CC#N)C3)cc12 ZINC001474598291 1065558546 /nfs/dbraw/zinc/55/85/46/1065558546.db2.gz AQJDHGHOAPLWJV-GOSISDBHSA-N 1 2 361.877 2.999 20 30 FFEDLO Cc1nn(C(C)(C)C)c2nc(Cl)c(C[N@H+]3CC[C@](O)(CC#N)C3)cc12 ZINC001474598291 1065558561 /nfs/dbraw/zinc/55/85/61/1065558561.db2.gz AQJDHGHOAPLWJV-GOSISDBHSA-N 1 2 361.877 2.999 20 30 FFEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2c2c[nH]nn2)cc1Cl ZINC001577714958 1078391264 /nfs/dbraw/zinc/39/12/64/1078391264.db2.gz DLEKDOYJDHXNCB-INIZCTEOSA-N 1 2 358.833 2.886 20 30 FFEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2c2c[nH]nn2)cc1Cl ZINC001577714958 1078391266 /nfs/dbraw/zinc/39/12/66/1078391266.db2.gz DLEKDOYJDHXNCB-INIZCTEOSA-N 1 2 358.833 2.886 20 30 FFEDLO C#C[C@H]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001558207332 1075960594 /nfs/dbraw/zinc/96/05/94/1075960594.db2.gz LACJEENKUWJKGA-ZHALLVOQSA-N 1 2 357.473 2.644 20 30 FFEDLO N#Cc1cccc(Br)c1NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001559142117 1076129033 /nfs/dbraw/zinc/12/90/33/1076129033.db2.gz UWUSCJUKHDNEAN-AWEZNQCLSA-N 1 2 364.243 2.513 20 30 FFEDLO N#C[C@H](C1CCCC1)n1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC001559370886 1076153354 /nfs/dbraw/zinc/15/33/54/1076153354.db2.gz OLZXJMOWEJCBGN-QZTJIDSGSA-N 1 2 352.442 2.501 20 30 FFEDLO N#C[C@H](C1CCCC1)n1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC001559370886 1076153358 /nfs/dbraw/zinc/15/33/58/1076153358.db2.gz OLZXJMOWEJCBGN-QZTJIDSGSA-N 1 2 352.442 2.501 20 30 FFEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001560143184 1076234210 /nfs/dbraw/zinc/23/42/10/1076234210.db2.gz SQOCEIAWNYIBKF-HNAYVOBHSA-N 1 2 352.475 2.827 20 30 FFEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001560143184 1076234215 /nfs/dbraw/zinc/23/42/15/1076234215.db2.gz SQOCEIAWNYIBKF-HNAYVOBHSA-N 1 2 352.475 2.827 20 30 FFEDLO C#CCNC(=O)CC[N@@H+]1CCc2cc(Cl)cc(Br)c2C1 ZINC001560172557 1076241501 /nfs/dbraw/zinc/24/15/01/1076241501.db2.gz ZQLGIBYXFDIBHT-UHFFFAOYSA-N 1 2 355.663 2.600 20 30 FFEDLO C#CCNC(=O)CC[N@H+]1CCc2cc(Cl)cc(Br)c2C1 ZINC001560172557 1076241503 /nfs/dbraw/zinc/24/15/03/1076241503.db2.gz ZQLGIBYXFDIBHT-UHFFFAOYSA-N 1 2 355.663 2.600 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC001564429065 1076632237 /nfs/dbraw/zinc/63/22/37/1076632237.db2.gz NIKIXQWVYFREOW-AZUAARDMSA-N 1 2 358.530 2.847 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC001564429065 1076632239 /nfs/dbraw/zinc/63/22/39/1076632239.db2.gz NIKIXQWVYFREOW-AZUAARDMSA-N 1 2 358.530 2.847 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC[NH2+]Cc1ncc(C)o1)Cc1ccccc1 ZINC001569870362 1077169408 /nfs/dbraw/zinc/16/94/08/1077169408.db2.gz UGQHYRBXNOVWHS-MOPGFXCFSA-N 1 2 369.465 2.693 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001572700874 1077348626 /nfs/dbraw/zinc/34/86/26/1077348626.db2.gz RLTZNPFYIFZLJE-LZJOCLMNSA-N 1 2 370.497 2.781 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001572700874 1077348629 /nfs/dbraw/zinc/34/86/29/1077348629.db2.gz RLTZNPFYIFZLJE-LZJOCLMNSA-N 1 2 370.497 2.781 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(-c2nn[nH]n2)c1F ZINC001588426118 1080024197 /nfs/dbraw/zinc/02/41/97/1080024197.db2.gz MSKPWUDKYQFDSB-UHFFFAOYSA-N 1 2 357.389 2.669 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(-c2nn[nH]n2)c1F ZINC001588426118 1080024207 /nfs/dbraw/zinc/02/42/07/1080024207.db2.gz MSKPWUDKYQFDSB-UHFFFAOYSA-N 1 2 357.389 2.669 20 30 FFEDLO C=CCC1(O)CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)CC1 ZINC001588557952 1080097213 /nfs/dbraw/zinc/09/72/13/1080097213.db2.gz XPGDCADYPIBRPQ-UHFFFAOYSA-N 1 2 350.426 2.631 20 30 FFEDLO C=CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1Br)[C@@H](C)COC ZINC001588635112 1080130997 /nfs/dbraw/zinc/13/09/97/1080130997.db2.gz DDLGNOBEQGRRPL-NSHDSACASA-N 1 2 366.263 2.652 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1Br)[C@@H](C)COC ZINC001588635112 1080131002 /nfs/dbraw/zinc/13/10/02/1080131002.db2.gz DDLGNOBEQGRRPL-NSHDSACASA-N 1 2 366.263 2.652 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(C)CCCS2)CC1 ZINC001588732470 1080174831 /nfs/dbraw/zinc/17/48/31/1080174831.db2.gz BEEKUVNPGJGJQR-LJQANCHMSA-N 1 2 361.559 2.617 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CC[C@H]2CCO[C@@H](C)C2)CC1 ZINC001588742311 1080178342 /nfs/dbraw/zinc/17/83/42/1080178342.db2.gz QEIUMZCSCMTMHA-ROUUACIJSA-N 1 2 373.545 2.536 20 30 FFEDLO N#Cc1ccc(NC(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1Cl ZINC000106321181 206014824 /nfs/dbraw/zinc/01/48/24/206014824.db2.gz MAQLZWJQBWVQTK-UHFFFAOYSA-N 1 2 371.828 2.765 20 30 FFEDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554893 250076009 /nfs/dbraw/zinc/07/60/09/250076009.db2.gz LPSHTPMRSJDPHJ-IEBWSBKVSA-N 1 2 354.498 2.860 20 30 FFEDLO CC(C)c1[nH+]c2c(n1C)CCN([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000106861056 250297071 /nfs/dbraw/zinc/29/70/71/250297071.db2.gz CBXYTWWPPFTPPQ-IBGZPJMESA-N 1 2 363.465 2.579 20 30 FFEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(C#N)cc3F)CC2)n1 ZINC000267400829 251345613 /nfs/dbraw/zinc/34/56/13/251345613.db2.gz PKQJSWCSIFMRAK-ZDUSSCGKSA-N 1 2 359.405 2.500 20 30 FFEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3ccc(C#N)cc3F)CC2)n1 ZINC000267400829 251345617 /nfs/dbraw/zinc/34/56/17/251345617.db2.gz PKQJSWCSIFMRAK-ZDUSSCGKSA-N 1 2 359.405 2.500 20 30 FFEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1CC(=O)Nc1cccc(C#N)c1)CCCC2 ZINC000275513148 256018127 /nfs/dbraw/zinc/01/81/27/256018127.db2.gz BBWJIMIKOLOLFO-IBGZPJMESA-N 1 2 363.465 2.946 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@H](CO)C3)o2)cc1 ZINC000286473088 257038685 /nfs/dbraw/zinc/03/86/85/257038685.db2.gz LADXDCYWVJQPMF-UONOGXRCSA-N 1 2 366.343 2.601 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@H](CO)C3)o2)cc1 ZINC000286473088 257038686 /nfs/dbraw/zinc/03/86/86/257038686.db2.gz LADXDCYWVJQPMF-UONOGXRCSA-N 1 2 366.343 2.601 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287332646 257083825 /nfs/dbraw/zinc/08/38/25/257083825.db2.gz KOUUWBMJYFJZFE-AWEZNQCLSA-N 1 2 362.271 2.765 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287332646 257083826 /nfs/dbraw/zinc/08/38/26/257083826.db2.gz KOUUWBMJYFJZFE-AWEZNQCLSA-N 1 2 362.271 2.765 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c(C#N)c1C ZINC000290019093 257311792 /nfs/dbraw/zinc/31/17/92/257311792.db2.gz VADMWQMIEIRHGE-BXUZGUMPSA-N 1 2 361.833 2.892 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c(C#N)c1C ZINC000290019093 257311793 /nfs/dbraw/zinc/31/17/93/257311793.db2.gz VADMWQMIEIRHGE-BXUZGUMPSA-N 1 2 361.833 2.892 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2c2cccc(F)c2)nc1 ZINC000290238670 257321869 /nfs/dbraw/zinc/32/18/69/257321869.db2.gz JBAZAXRQSQMMSX-KRWDZBQOSA-N 1 2 359.426 2.703 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2c2cccc(F)c2)nc1 ZINC000290238670 257321870 /nfs/dbraw/zinc/32/18/70/257321870.db2.gz JBAZAXRQSQMMSX-KRWDZBQOSA-N 1 2 359.426 2.703 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000290322973 257325846 /nfs/dbraw/zinc/32/58/46/257325846.db2.gz OLFCLAXOIXSSBM-OAHLLOKOSA-N 1 2 368.462 2.682 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000290322973 257325847 /nfs/dbraw/zinc/32/58/47/257325847.db2.gz OLFCLAXOIXSSBM-OAHLLOKOSA-N 1 2 368.462 2.682 20 30 FFEDLO Cn1nc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C1CC1 ZINC000290408603 257330535 /nfs/dbraw/zinc/33/05/35/257330535.db2.gz MKWPSLAEQKTCOX-UHFFFAOYSA-N 1 2 364.453 2.519 20 30 FFEDLO N#Cc1ncccc1N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000290523845 257338870 /nfs/dbraw/zinc/33/88/70/257338870.db2.gz GPWBBARSMHORCD-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO Cc1nsc(N2CCN(C(=O)Nc3c(C)cc[nH+]c3C)CC2)c1C#N ZINC000290745201 257355505 /nfs/dbraw/zinc/35/55/05/257355505.db2.gz QKECYHLDTUKERJ-UHFFFAOYSA-N 1 2 356.455 2.689 20 30 FFEDLO N#Cc1cc2c(nc1N1CCN(Cc3cn4ccccc4[nH+]3)CC1)CCCC2 ZINC000301113410 258026202 /nfs/dbraw/zinc/02/62/02/258026202.db2.gz XIHXJYFKNSYZFW-UHFFFAOYSA-N 1 2 372.476 2.802 20 30 FFEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000301140733 258028890 /nfs/dbraw/zinc/02/88/90/258028890.db2.gz AZOHECNGPUDOJM-HOTGVXAUSA-N 1 2 374.916 2.838 20 30 FFEDLO CCC[C@](C)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)C(=O)OC ZINC000299403686 257990488 /nfs/dbraw/zinc/99/04/88/257990488.db2.gz VEVFOUJJURVATK-SFHVURJKSA-N 1 2 363.483 2.758 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000303027429 258115103 /nfs/dbraw/zinc/11/51/03/258115103.db2.gz QFEPACQEWUFINU-AWEZNQCLSA-N 1 2 364.380 2.967 20 30 FFEDLO CCc1nnc(N2CC[NH+](Cc3ccccc3OC)CC2)c(C#N)c1CC ZINC000301612306 258058714 /nfs/dbraw/zinc/05/87/14/258058714.db2.gz FUNSBEHTLAKRIM-UHFFFAOYSA-N 1 2 365.481 2.804 20 30 FFEDLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCc2c(C#N)c(N)sc2C1 ZINC000301833436 258069854 /nfs/dbraw/zinc/06/98/54/258069854.db2.gz JPWHLGOXAXQDKD-UHFFFAOYSA-N 1 2 353.455 2.659 20 30 FFEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(Cc3cccc(C#N)c3F)CC2)C1 ZINC000331975853 258208322 /nfs/dbraw/zinc/20/83/22/258208322.db2.gz MKIHWTOOMHKOPQ-QFBILLFUSA-N 1 2 372.488 2.510 20 30 FFEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000332539041 258234532 /nfs/dbraw/zinc/23/45/32/258234532.db2.gz VVBPOHMJDFFXQL-MRXNPFEDSA-N 1 2 374.916 2.730 20 30 FFEDLO C=CC[N@@H+](CCOc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066560118 506552445 /nfs/dbraw/zinc/55/24/45/506552445.db2.gz SPEBSZQDIVJLIM-AWEZNQCLSA-N 1 2 374.300 2.503 20 30 FFEDLO C=CC[N@H+](CCOc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066560118 506552453 /nfs/dbraw/zinc/55/24/53/506552453.db2.gz SPEBSZQDIVJLIM-AWEZNQCLSA-N 1 2 374.300 2.503 20 30 FFEDLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000054391845 506552455 /nfs/dbraw/zinc/55/24/55/506552455.db2.gz LATJIJMVIUZGBH-AWEZNQCLSA-N 1 2 362.433 2.902 20 30 FFEDLO CC(=O)Nc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000054391845 506552462 /nfs/dbraw/zinc/55/24/62/506552462.db2.gz LATJIJMVIUZGBH-AWEZNQCLSA-N 1 2 362.433 2.902 20 30 FFEDLO C=CCNC(=O)[C@H](C)Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000007318533 506553211 /nfs/dbraw/zinc/55/32/11/506553211.db2.gz DDMQUFGKXSGVSJ-HNNXBMFYSA-N 1 2 371.510 2.646 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3ccc(F)cc3C#N)CC2)C1 ZINC000066566475 506558139 /nfs/dbraw/zinc/55/81/39/506558139.db2.gz AIPSVFJCWCUNIM-UZLBHIALSA-N 1 2 372.488 2.510 20 30 FFEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000367005562 512292251 /nfs/dbraw/zinc/29/22/51/512292251.db2.gz SKTAFCGNAGNVTP-UHFFFAOYSA-N 1 2 360.421 2.549 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000410564018 512295005 /nfs/dbraw/zinc/29/50/05/512295005.db2.gz ULGRIQXREFMEHQ-LJQANCHMSA-N 1 2 371.481 2.656 20 30 FFEDLO CC(C)n1nccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043451838 506745944 /nfs/dbraw/zinc/74/59/44/506745944.db2.gz VUOTUYQJPWQZSM-UHFFFAOYSA-N 1 2 352.442 2.685 20 30 FFEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000056802002 507097499 /nfs/dbraw/zinc/09/74/99/507097499.db2.gz OAXDBCHWSQYVBW-UHFFFAOYSA-N 1 2 365.437 2.702 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)Cn1c2ccccc2[nH+]c1NCCO ZINC000046342303 507119145 /nfs/dbraw/zinc/11/91/45/507119145.db2.gz XKKOTKCYEHILFK-QGZVFWFLSA-N 1 2 367.449 2.609 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)COc1ccccc1C#N)c1ccccc1F ZINC000018236851 507146936 /nfs/dbraw/zinc/14/69/36/507146936.db2.gz OQLIOUQVBLHPQC-LJQANCHMSA-N 1 2 364.380 2.715 20 30 FFEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000068429035 507229485 /nfs/dbraw/zinc/22/94/85/507229485.db2.gz NFMNIUWOZGUADW-OAHLLOKOSA-N 1 2 360.889 2.735 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)C3(C#N)CCCCC3)c[nH+]2)C[C@H](C)O1 ZINC000057388438 507253517 /nfs/dbraw/zinc/25/35/17/507253517.db2.gz JGXRPYUUJRRYKH-IYBDPMFKSA-N 1 2 356.470 2.785 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)C3(C#N)CCCCC3)c[nH+]2)C[C@H](C)O1 ZINC000057388439 507253960 /nfs/dbraw/zinc/25/39/60/507253960.db2.gz JGXRPYUUJRRYKH-HOTGVXAUSA-N 1 2 356.470 2.785 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000057756529 507322424 /nfs/dbraw/zinc/32/24/24/507322424.db2.gz ZNSFDAHFERSAMR-GFCCVEGCSA-N 1 2 366.343 2.743 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc(-c4ccsc4)no3)CC2)cc1 ZINC000023258207 507342714 /nfs/dbraw/zinc/34/27/14/507342714.db2.gz LRILUIMHWWEUCM-UHFFFAOYSA-N 1 2 365.462 2.988 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1cccs1)Cc1ccccc1OC ZINC000023992829 507382958 /nfs/dbraw/zinc/38/29/58/507382958.db2.gz HKDPEQLRALXDAU-UHFFFAOYSA-N 1 2 373.478 2.771 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1cccs1)Cc1ccccc1OC ZINC000023992829 507382962 /nfs/dbraw/zinc/38/29/62/507382962.db2.gz HKDPEQLRALXDAU-UHFFFAOYSA-N 1 2 373.478 2.771 20 30 FFEDLO O=C(NCC#Cc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058790467 507466019 /nfs/dbraw/zinc/46/60/19/507466019.db2.gz LGFVXVATTRMCKO-HXUWFJFHSA-N 1 2 350.487 2.944 20 30 FFEDLO N#Cc1cccc(CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000048507086 507531586 /nfs/dbraw/zinc/53/15/86/507531586.db2.gz RRBXXKWLWWOLSC-UHFFFAOYSA-N 1 2 359.433 2.845 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc3c(c2)OCO3)c(C#N)c1C ZINC000027227898 507639867 /nfs/dbraw/zinc/63/98/67/507639867.db2.gz LPRVIRGCWPNIGJ-LBPRGKRZSA-N 1 2 355.394 2.956 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc3c(c2)OCO3)c(C#N)c1C ZINC000027227898 507639875 /nfs/dbraw/zinc/63/98/75/507639875.db2.gz LPRVIRGCWPNIGJ-LBPRGKRZSA-N 1 2 355.394 2.956 20 30 FFEDLO C=CC[N@@H+](CC(=O)N(CC)CC(=O)NC(C)C)Cc1ccc(Cl)s1 ZINC000070949982 507669166 /nfs/dbraw/zinc/66/91/66/507669166.db2.gz LBSHKXZZXKLXPW-UHFFFAOYSA-N 1 2 371.934 2.763 20 30 FFEDLO C=CC[N@H+](CC(=O)N(CC)CC(=O)NC(C)C)Cc1ccc(Cl)s1 ZINC000070949982 507669170 /nfs/dbraw/zinc/66/91/70/507669170.db2.gz LBSHKXZZXKLXPW-UHFFFAOYSA-N 1 2 371.934 2.763 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000028094409 507709669 /nfs/dbraw/zinc/70/96/69/507709669.db2.gz DABAOWXAHNFXJE-OAHLLOKOSA-N 1 2 355.463 2.731 20 30 FFEDLO COc1cc(O)c(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1OC ZINC000371367353 512355949 /nfs/dbraw/zinc/35/59/49/512355949.db2.gz XNWKVPUYLUHCSU-FQEVSTJZSA-N 1 2 354.406 2.855 20 30 FFEDLO COc1cc(O)c(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1OC ZINC000371367353 512355953 /nfs/dbraw/zinc/35/59/53/512355953.db2.gz XNWKVPUYLUHCSU-FQEVSTJZSA-N 1 2 354.406 2.855 20 30 FFEDLO COCC[N@H+](CC(=O)NCc1cc(F)cc(F)c1)Cc1ccc(C#N)cc1 ZINC000063753534 507768382 /nfs/dbraw/zinc/76/83/82/507768382.db2.gz LIEYHYCUFJRJIT-UHFFFAOYSA-N 1 2 373.403 2.601 20 30 FFEDLO COCC[N@@H+](CC(=O)NCc1cc(F)cc(F)c1)Cc1ccc(C#N)cc1 ZINC000063753534 507768385 /nfs/dbraw/zinc/76/83/85/507768385.db2.gz LIEYHYCUFJRJIT-UHFFFAOYSA-N 1 2 373.403 2.601 20 30 FFEDLO N#Cc1ccc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000029525981 507781536 /nfs/dbraw/zinc/78/15/36/507781536.db2.gz LZDCNMWUDGDIIT-LJQANCHMSA-N 1 2 352.394 2.952 20 30 FFEDLO CC[N@@H+](CC(=O)NCCc1ccc(OC(F)(F)F)cc1)C[C@@H](C)C#N ZINC000064249150 507787340 /nfs/dbraw/zinc/78/73/40/507787340.db2.gz GWVGYLCSRPEMIR-ZDUSSCGKSA-N 1 2 357.376 2.725 20 30 FFEDLO CC[N@H+](CC(=O)NCCc1ccc(OC(F)(F)F)cc1)C[C@@H](C)C#N ZINC000064249150 507787342 /nfs/dbraw/zinc/78/73/42/507787342.db2.gz GWVGYLCSRPEMIR-ZDUSSCGKSA-N 1 2 357.376 2.725 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000052452840 507809780 /nfs/dbraw/zinc/80/97/80/507809780.db2.gz MGDLHTOTBKDFAJ-CQSZACIVSA-N 1 2 366.259 2.598 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000052452840 507809781 /nfs/dbraw/zinc/80/97/81/507809781.db2.gz MGDLHTOTBKDFAJ-CQSZACIVSA-N 1 2 366.259 2.598 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCN(c2nccs2)CC1 ZINC000064401913 507795120 /nfs/dbraw/zinc/79/51/20/507795120.db2.gz SOSMWZMWXIQRBC-CQSZACIVSA-N 1 2 355.467 2.554 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCN(c2nccs2)CC1 ZINC000064401913 507795124 /nfs/dbraw/zinc/79/51/24/507795124.db2.gz SOSMWZMWXIQRBC-CQSZACIVSA-N 1 2 355.467 2.554 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000072774412 507852261 /nfs/dbraw/zinc/85/22/61/507852261.db2.gz DVIZDBPEYDVIHT-LAUBAEHRSA-N 1 2 367.497 2.806 20 30 FFEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)cs1 ZINC000072920049 507873696 /nfs/dbraw/zinc/87/36/96/507873696.db2.gz QMQUFELGLBNDIU-JTQLQIEISA-N 1 2 350.419 2.758 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)Cc1cnn(C)c1 ZINC000108356901 507889201 /nfs/dbraw/zinc/88/92/01/507889201.db2.gz CIFFUDSEPSLAFQ-AWEZNQCLSA-N 1 2 357.483 2.742 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000108356901 507889204 /nfs/dbraw/zinc/88/92/04/507889204.db2.gz CIFFUDSEPSLAFQ-AWEZNQCLSA-N 1 2 357.483 2.742 20 30 FFEDLO CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000090127736 507909799 /nfs/dbraw/zinc/90/97/99/507909799.db2.gz DIECQXXGIQTFHS-SFHVURJKSA-N 1 2 356.470 2.816 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000079022902 507926387 /nfs/dbraw/zinc/92/63/87/507926387.db2.gz ILNNJRLMYWEUCV-OAHLLOKOSA-N 1 2 373.526 2.626 20 30 FFEDLO N#Cc1ccccc1OCC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000079255945 507948004 /nfs/dbraw/zinc/94/80/04/507948004.db2.gz MDRAUAQNYMLYSQ-UHFFFAOYSA-N 1 2 350.422 2.639 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(N3CCCC3=O)CC2)c1C#N ZINC000091068510 507949275 /nfs/dbraw/zinc/94/92/75/507949275.db2.gz BNTPOCWMVARNFK-UHFFFAOYSA-N 1 2 363.465 2.639 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c1C#N ZINC000091069452 507949345 /nfs/dbraw/zinc/94/93/45/507949345.db2.gz GAUDPGZZBYCNND-GOSISDBHSA-N 1 2 363.465 2.639 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)c1C#N ZINC000091069452 507949346 /nfs/dbraw/zinc/94/93/46/507949346.db2.gz GAUDPGZZBYCNND-GOSISDBHSA-N 1 2 363.465 2.639 20 30 FFEDLO C=CCOc1ccccc1C[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000091923867 508025062 /nfs/dbraw/zinc/02/50/62/508025062.db2.gz IXYSTOFZDBQFEZ-UHFFFAOYSA-N 1 2 352.434 2.915 20 30 FFEDLO C=CC[N@@H+](Cc1cc(Cl)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361240 508064512 /nfs/dbraw/zinc/06/45/12/508064512.db2.gz MZVKNQWLMWJBBT-ZDUSSCGKSA-N 1 2 359.875 2.532 20 30 FFEDLO C=CC[N@H+](Cc1cc(Cl)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361240 508064515 /nfs/dbraw/zinc/06/45/15/508064515.db2.gz MZVKNQWLMWJBBT-ZDUSSCGKSA-N 1 2 359.875 2.532 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000111285121 508085588 /nfs/dbraw/zinc/08/55/88/508085588.db2.gz IRFSBVFKPHKYRR-HUUCEWRRSA-N 1 2 361.511 2.970 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111294341 508087660 /nfs/dbraw/zinc/08/76/60/508087660.db2.gz NURLHWJTJOYPHC-CJNGLKHVSA-N 1 2 374.872 2.625 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111294341 508087663 /nfs/dbraw/zinc/08/76/63/508087663.db2.gz NURLHWJTJOYPHC-CJNGLKHVSA-N 1 2 374.872 2.625 20 30 FFEDLO COc1cc(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)ccc1O ZINC000080848071 508108051 /nfs/dbraw/zinc/10/80/51/508108051.db2.gz TWGMVBIQBCBKSI-UHFFFAOYSA-N 1 2 350.378 2.954 20 30 FFEDLO COc1cc(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)ccc1O ZINC000080848071 508108054 /nfs/dbraw/zinc/10/80/54/508108054.db2.gz TWGMVBIQBCBKSI-UHFFFAOYSA-N 1 2 350.378 2.954 20 30 FFEDLO C[C@H](C(=O)NCc1ccc(C#N)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000111560860 508108185 /nfs/dbraw/zinc/10/81/85/508108185.db2.gz GWHFXYGGDSSWAK-MRXNPFEDSA-N 1 2 366.440 2.524 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000080904584 508110446 /nfs/dbraw/zinc/11/04/46/508110446.db2.gz ULTKHPDLXCYDQF-LJQANCHMSA-N 1 2 366.421 2.856 20 30 FFEDLO Cc1cc(C)c(C#N)c(NCc2ccccc2OCC[NH+]2CCOCC2)n1 ZINC000080970496 508120662 /nfs/dbraw/zinc/12/06/62/508120662.db2.gz LKVJJSRVFLXMEW-UHFFFAOYSA-N 1 2 366.465 2.893 20 30 FFEDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093416789 508144820 /nfs/dbraw/zinc/14/48/20/508144820.db2.gz BDCLRNUELHUARI-INIZCTEOSA-N 1 2 374.510 2.719 20 30 FFEDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093416789 508144821 /nfs/dbraw/zinc/14/48/21/508144821.db2.gz BDCLRNUELHUARI-INIZCTEOSA-N 1 2 374.510 2.719 20 30 FFEDLO C[C@@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)c1ccc(C#N)cc1 ZINC000076077412 508156766 /nfs/dbraw/zinc/15/67/66/508156766.db2.gz KFNNHSSLYVMOBU-LLVKDONJSA-N 1 2 351.332 2.877 20 30 FFEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000081344131 508165110 /nfs/dbraw/zinc/16/51/10/508165110.db2.gz IHWJHUCCGCCVCO-LJQANCHMSA-N 1 2 369.396 2.545 20 30 FFEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000081344131 508165112 /nfs/dbraw/zinc/16/51/12/508165112.db2.gz IHWJHUCCGCCVCO-LJQANCHMSA-N 1 2 369.396 2.545 20 30 FFEDLO N#CCCN(CCOc1cccc2ccccc21)CC[NH+]1CCOCC1 ZINC000081531706 508186095 /nfs/dbraw/zinc/18/60/95/508186095.db2.gz LCCUNZAMYCHSAC-UHFFFAOYSA-N 1 2 353.466 2.766 20 30 FFEDLO CCCCCNC(=O)C1CC[NH+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000083188327 508240339 /nfs/dbraw/zinc/24/03/39/508240339.db2.gz QDIRPGWAISGYGQ-IBGZPJMESA-N 1 2 371.481 2.791 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000083243497 508242584 /nfs/dbraw/zinc/24/25/84/508242584.db2.gz FTPZZAGZRPRDJX-WOJBJXKFSA-N 1 2 372.465 2.822 20 30 FFEDLO N#CCCN(C(=O)Cc1cn2ccccc2[nH+]1)c1ccc2c(c1)OCCO2 ZINC000103962725 508324748 /nfs/dbraw/zinc/32/47/48/508324748.db2.gz XZKQGCJSBOESJW-UHFFFAOYSA-N 1 2 362.389 2.595 20 30 FFEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000104667860 508340940 /nfs/dbraw/zinc/34/09/40/508340940.db2.gz CDTQOGYSBGNVBK-MRXNPFEDSA-N 1 2 358.239 2.979 20 30 FFEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000104667860 508340942 /nfs/dbraw/zinc/34/09/42/508340942.db2.gz CDTQOGYSBGNVBK-MRXNPFEDSA-N 1 2 358.239 2.979 20 30 FFEDLO Cc1[nH+]ccn1-c1ccc(NS(=O)(=O)c2cc(C#N)ccc2C)cn1 ZINC000114850104 508353958 /nfs/dbraw/zinc/35/39/58/508353958.db2.gz LPLWQSFICRPWAQ-UHFFFAOYSA-N 1 2 353.407 2.557 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105016362 508356823 /nfs/dbraw/zinc/35/68/23/508356823.db2.gz XJYNNVSTOLWXJJ-GJZGRUSLSA-N 1 2 360.458 2.576 20 30 FFEDLO N#Cc1cccc(CS(=O)(=O)Cc2[nH+]ccn2Cc2ccccc2)c1 ZINC000105520990 508374746 /nfs/dbraw/zinc/37/47/46/508374746.db2.gz SUAVYPSPORDVMA-UHFFFAOYSA-N 1 2 351.431 2.918 20 30 FFEDLO COc1cccc(OCC[NH+]2CCN(c3ncc(C#N)cc3Cl)CC2)c1 ZINC000152665936 508489909 /nfs/dbraw/zinc/48/99/09/508489909.db2.gz ZTDDQDIZFRAWLP-UHFFFAOYSA-N 1 2 372.856 2.816 20 30 FFEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)c3cccnc3)CC2)c1 ZINC000156881004 508491292 /nfs/dbraw/zinc/49/12/92/508491292.db2.gz BOQTYEIIKLQSGA-UHFFFAOYSA-N 1 2 364.449 2.722 20 30 FFEDLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000127915808 508520380 /nfs/dbraw/zinc/52/03/80/508520380.db2.gz WPTRXVFEOFRJKH-HNNXBMFYSA-N 1 2 360.421 2.770 20 30 FFEDLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000127915808 508520384 /nfs/dbraw/zinc/52/03/84/508520384.db2.gz WPTRXVFEOFRJKH-HNNXBMFYSA-N 1 2 360.421 2.770 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000127952339 508526138 /nfs/dbraw/zinc/52/61/38/508526138.db2.gz HHXBHLLWJPHMFV-ZDUSSCGKSA-N 1 2 357.376 2.514 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000127952339 508526142 /nfs/dbraw/zinc/52/61/42/508526142.db2.gz HHXBHLLWJPHMFV-ZDUSSCGKSA-N 1 2 357.376 2.514 20 30 FFEDLO C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000116807588 508564149 /nfs/dbraw/zinc/56/41/49/508564149.db2.gz QWXRPAQRCZTECR-UGSOOPFHSA-N 1 2 353.382 2.983 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](O)C2)cc1OCC ZINC000157645022 508591740 /nfs/dbraw/zinc/59/17/40/508591740.db2.gz DKGDOAGOMYZUHY-ZDUSSCGKSA-N 1 2 356.260 2.979 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](O)C2)cc1OCC ZINC000157645022 508591743 /nfs/dbraw/zinc/59/17/43/508591743.db2.gz DKGDOAGOMYZUHY-ZDUSSCGKSA-N 1 2 356.260 2.979 20 30 FFEDLO CCN(CC)C(=O)C1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000153610562 508607259 /nfs/dbraw/zinc/60/72/59/508607259.db2.gz KTNQPBJPAIZVMY-CQSZACIVSA-N 1 2 374.485 2.676 20 30 FFEDLO CCc1noc(C)c1CO[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000122963723 508615129 /nfs/dbraw/zinc/61/51/29/508615129.db2.gz IISWYJOLECAPFW-UHFFFAOYSA-N 1 2 354.414 2.580 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)c(Cl)c1OC ZINC000122968411 508615946 /nfs/dbraw/zinc/61/59/46/508615946.db2.gz VSJJWPGKXMRJNQ-UHFFFAOYSA-N 1 2 372.856 2.946 20 30 FFEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1=O ZINC000128652503 508624142 /nfs/dbraw/zinc/62/41/42/508624142.db2.gz ZKYHFLFYXFFGDV-QGZVFWFLSA-N 1 2 355.344 2.600 20 30 FFEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1=O ZINC000128652503 508624146 /nfs/dbraw/zinc/62/41/46/508624146.db2.gz ZKYHFLFYXFFGDV-QGZVFWFLSA-N 1 2 355.344 2.600 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000128839672 508650111 /nfs/dbraw/zinc/65/01/11/508650111.db2.gz BZGKVBYJABFFCM-GXTWGEPZSA-N 1 2 359.227 2.589 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCOC2(CCCC2)C1 ZINC000158330142 508688992 /nfs/dbraw/zinc/68/89/92/508688992.db2.gz UFZVLQHGYXEONL-KRWDZBQOSA-N 1 2 371.481 2.975 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCOC2(CCCC2)C1 ZINC000158330142 508688995 /nfs/dbraw/zinc/68/89/95/508688995.db2.gz UFZVLQHGYXEONL-KRWDZBQOSA-N 1 2 371.481 2.975 20 30 FFEDLO N#Cc1cccc(OCCC[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000159516880 508852338 /nfs/dbraw/zinc/85/23/38/508852338.db2.gz RCFOXGLASPARIX-MJGOQNOKSA-N 1 2 356.422 2.745 20 30 FFEDLO N#Cc1cccc(OCCC[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000159516880 508852342 /nfs/dbraw/zinc/85/23/42/508852342.db2.gz RCFOXGLASPARIX-MJGOQNOKSA-N 1 2 356.422 2.745 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1[nH+]ccn1CC(C)C ZINC000130938785 508867926 /nfs/dbraw/zinc/86/79/26/508867926.db2.gz POJXXFAFJLZINR-UHFFFAOYSA-N 1 2 356.474 2.515 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000131107140 508888005 /nfs/dbraw/zinc/88/80/05/508888005.db2.gz FTOYHRVKSRXXJA-SFHVURJKSA-N 1 2 353.397 2.943 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000131107140 508888007 /nfs/dbraw/zinc/88/80/07/508888007.db2.gz FTOYHRVKSRXXJA-SFHVURJKSA-N 1 2 353.397 2.943 20 30 FFEDLO CC#CCCSc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1 ZINC000155149948 508934698 /nfs/dbraw/zinc/93/46/98/508934698.db2.gz HUUOPLBCVYVOMW-UHFFFAOYSA-N 1 2 374.485 2.922 20 30 FFEDLO COc1cccc([C@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)cc3)CCO2)c1 ZINC000120315846 508971403 /nfs/dbraw/zinc/97/14/03/508971403.db2.gz YYQRMXQLTABBSX-HXUWFJFHSA-N 1 2 365.433 2.969 20 30 FFEDLO COc1cccc([C@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CCO2)c1 ZINC000120315846 508971406 /nfs/dbraw/zinc/97/14/06/508971406.db2.gz YYQRMXQLTABBSX-HXUWFJFHSA-N 1 2 365.433 2.969 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+](CC)[C@H]2CCS(=O)(=O)C2)ccc1OC ZINC000160587390 509006507 /nfs/dbraw/zinc/00/65/07/509006507.db2.gz PURAPGATYHVTPB-INIZCTEOSA-N 1 2 353.484 2.659 20 30 FFEDLO C=C(C)COc1cc(C[N@H+](CC)[C@H]2CCS(=O)(=O)C2)ccc1OC ZINC000160587390 509006513 /nfs/dbraw/zinc/00/65/13/509006513.db2.gz PURAPGATYHVTPB-INIZCTEOSA-N 1 2 353.484 2.659 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[NH+]1CCSCC1 ZINC000151464817 509022529 /nfs/dbraw/zinc/02/25/29/509022529.db2.gz VRMYHWLTVOHRII-LLVKDONJSA-N 1 2 373.400 2.875 20 30 FFEDLO CC(C)(CCC#N)C[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000120739992 509056280 /nfs/dbraw/zinc/05/62/80/509056280.db2.gz LVSOPEAIXWMKKO-UHFFFAOYSA-N 1 2 371.453 2.601 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000151688213 509067151 /nfs/dbraw/zinc/06/71/51/509067151.db2.gz POEAEDRFCNFCKX-QGZVFWFLSA-N 1 2 364.449 2.898 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000151738536 509074393 /nfs/dbraw/zinc/07/43/93/509074393.db2.gz PYCXAYSYMGQQHK-AEFFLSMTSA-N 1 2 374.462 2.513 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000151738536 509074395 /nfs/dbraw/zinc/07/43/95/509074395.db2.gz PYCXAYSYMGQQHK-AEFFLSMTSA-N 1 2 374.462 2.513 20 30 FFEDLO N#Cc1cnc(Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)cn1 ZINC000120977138 509101031 /nfs/dbraw/zinc/10/10/31/509101031.db2.gz XDPQEMRKFDQTIS-UHFFFAOYSA-N 1 2 363.450 2.676 20 30 FFEDLO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C)[nH+]1 ZINC000156052503 509117746 /nfs/dbraw/zinc/11/77/46/509117746.db2.gz GHSCMYQBVVCLPA-PKOBYXMFSA-N 1 2 362.433 2.935 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1)C1CC1 ZINC000133196510 509130778 /nfs/dbraw/zinc/13/07/78/509130778.db2.gz YNGHELSKLNIBIH-HNAYVOBHSA-N 1 2 361.873 2.992 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1)C1CC1 ZINC000133196510 509130781 /nfs/dbraw/zinc/13/07/81/509130781.db2.gz YNGHELSKLNIBIH-HNAYVOBHSA-N 1 2 361.873 2.992 20 30 FFEDLO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000152070680 509140504 /nfs/dbraw/zinc/14/05/04/509140504.db2.gz POSAIBPTJROMRS-FQEVSTJZSA-N 1 2 374.460 2.673 20 30 FFEDLO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000152070680 509140507 /nfs/dbraw/zinc/14/05/07/509140507.db2.gz POSAIBPTJROMRS-FQEVSTJZSA-N 1 2 374.460 2.673 20 30 FFEDLO C[C@@H](C1CC1)N(C(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1)C1CC1 ZINC000121384364 509171062 /nfs/dbraw/zinc/17/10/62/509171062.db2.gz PRICAINORQFDOL-LAUBAEHRSA-N 1 2 366.509 2.658 20 30 FFEDLO N#Cc1ccccc1OCC[N@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000121598922 509179215 /nfs/dbraw/zinc/17/92/15/509179215.db2.gz HVYNHRABEYSFGF-SJORKVTESA-N 1 2 358.463 2.823 20 30 FFEDLO N#Cc1ccccc1OCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000121598922 509179216 /nfs/dbraw/zinc/17/92/16/509179216.db2.gz HVYNHRABEYSFGF-SJORKVTESA-N 1 2 358.463 2.823 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@H+]2CCOC3(CCOCC3)C2)c1 ZINC000191809768 509193875 /nfs/dbraw/zinc/19/38/75/509193875.db2.gz JOALQUUFUQQIOF-UHFFFAOYSA-N 1 2 351.244 2.702 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCOC3(CCOCC3)C2)c1 ZINC000191809768 509193871 /nfs/dbraw/zinc/19/38/71/509193871.db2.gz JOALQUUFUQQIOF-UHFFFAOYSA-N 1 2 351.244 2.702 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(O)(c3ccccc3)CC2)C1=O ZINC000185526634 509223171 /nfs/dbraw/zinc/22/31/71/509223171.db2.gz KOWUPVYDLLOZFQ-KRWDZBQOSA-N 1 2 367.474 2.709 20 30 FFEDLO CC[N@H+](CC#Cc1ccccc1)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000191905606 509238878 /nfs/dbraw/zinc/23/88/78/509238878.db2.gz URFNRBWDOUWZNH-UHFFFAOYSA-N 1 2 350.418 2.770 20 30 FFEDLO CC[N@@H+](CC#Cc1ccccc1)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000191905606 509238887 /nfs/dbraw/zinc/23/88/87/509238887.db2.gz URFNRBWDOUWZNH-UHFFFAOYSA-N 1 2 350.418 2.770 20 30 FFEDLO N#Cc1cc(S(=O)(=O)NCc2ccc(N3CCCCC3)[nH+]c2)ccc1F ZINC000264091738 509325989 /nfs/dbraw/zinc/32/59/89/509325989.db2.gz QDNPPEDDWOQZTG-UHFFFAOYSA-N 1 2 374.441 2.561 20 30 FFEDLO C=C(C)[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000248477025 509338407 /nfs/dbraw/zinc/33/84/07/509338407.db2.gz OKOQIIMSRIMRLZ-LBTNJELSSA-N 1 2 367.440 2.990 20 30 FFEDLO Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)on1 ZINC000264132570 509344798 /nfs/dbraw/zinc/34/47/98/509344798.db2.gz OXEFQRLUEOFNKJ-AWEZNQCLSA-N 1 2 354.410 2.725 20 30 FFEDLO N#CCN1CCC[C@@H](CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000267103690 509346699 /nfs/dbraw/zinc/34/66/99/509346699.db2.gz PCMGNRNAMCRGHL-INIZCTEOSA-N 1 2 350.422 2.839 20 30 FFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)NCC#Cc1ccccc1 ZINC000264254301 509414518 /nfs/dbraw/zinc/41/45/18/509414518.db2.gz KMOYWXLPYBDVSS-UHFFFAOYSA-N 1 2 350.344 2.639 20 30 FFEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)NC[C@H](C)C#N)CC1 ZINC000182794184 509429004 /nfs/dbraw/zinc/42/90/04/509429004.db2.gz RMTATBIWUDTZSY-DYVFJYSZSA-N 1 2 350.413 2.903 20 30 FFEDLO CCc1cc(N2CCN(c3ncccc3C#N)CC2)nc(-c2ccncc2)[nH+]1 ZINC000264408626 509510156 /nfs/dbraw/zinc/51/01/56/509510156.db2.gz KZGKVDMTCCSWFH-UHFFFAOYSA-N 1 2 371.448 2.694 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2ccc(Cl)cc2n1 ZINC000267736682 509596766 /nfs/dbraw/zinc/59/67/66/509596766.db2.gz MXBMSJAVIMOPRY-UHFFFAOYSA-N 1 2 372.856 2.576 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CCCCC#N)c1ccc(Cl)cc1 ZINC000264557282 509598665 /nfs/dbraw/zinc/59/86/65/509598665.db2.gz MNEUSMKMIVHOEB-HNNXBMFYSA-N 1 2 366.874 2.776 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000267815301 509624704 /nfs/dbraw/zinc/62/47/04/509624704.db2.gz OYBWNKOJDOORJO-UHFFFAOYSA-N 1 2 355.829 2.956 20 30 FFEDLO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1nc(C2CC2)no1 ZINC000179830462 509641490 /nfs/dbraw/zinc/64/14/90/509641490.db2.gz XABRKPWUQIEYMC-INIZCTEOSA-N 1 2 374.466 2.579 20 30 FFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000167926749 509642513 /nfs/dbraw/zinc/64/25/13/509642513.db2.gz CQTOWOKGHHQMEV-CVEARBPZSA-N 1 2 373.881 2.838 20 30 FFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000167926749 509642518 /nfs/dbraw/zinc/64/25/18/509642518.db2.gz CQTOWOKGHHQMEV-CVEARBPZSA-N 1 2 373.881 2.838 20 30 FFEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NC(=O)Nc1ccc(OC)cc1 ZINC000173553959 509650565 /nfs/dbraw/zinc/65/05/65/509650565.db2.gz UCTHQEZJOFONRS-UHFFFAOYSA-N 1 2 360.458 2.995 20 30 FFEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NC(=O)Nc1ccc(OC)cc1 ZINC000173553959 509650572 /nfs/dbraw/zinc/65/05/72/509650572.db2.gz UCTHQEZJOFONRS-UHFFFAOYSA-N 1 2 360.458 2.995 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000264694211 509651616 /nfs/dbraw/zinc/65/16/16/509651616.db2.gz IFKYLFVFNUEZPY-TZMCWYRMSA-N 1 2 361.751 2.538 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000264694211 509651617 /nfs/dbraw/zinc/65/16/17/509651617.db2.gz IFKYLFVFNUEZPY-TZMCWYRMSA-N 1 2 361.751 2.538 20 30 FFEDLO Cn1cc(CN2CC[NH+](Cc3ccccn3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179893086 509662143 /nfs/dbraw/zinc/66/21/43/509662143.db2.gz WQNDYNQFWWJSGJ-UHFFFAOYSA-N 1 2 372.476 2.672 20 30 FFEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000180063623 509732855 /nfs/dbraw/zinc/73/28/55/509732855.db2.gz HKRFHPCRGNSMDU-HNNXBMFYSA-N 1 2 351.410 2.727 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)C[C@H](C)C#N ZINC000249937831 509780336 /nfs/dbraw/zinc/78/03/36/509780336.db2.gz GOTJDLZIOZBNLD-WBVHZDCISA-N 1 2 357.454 2.603 20 30 FFEDLO CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)C[C@H](C)C#N ZINC000249937831 509780344 /nfs/dbraw/zinc/78/03/44/509780344.db2.gz GOTJDLZIOZBNLD-WBVHZDCISA-N 1 2 357.454 2.603 20 30 FFEDLO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)c(O)c(F)c1 ZINC000183561595 509861172 /nfs/dbraw/zinc/86/11/72/509861172.db2.gz APLIUCDQZOIIPG-UHFFFAOYSA-N 1 2 359.376 2.746 20 30 FFEDLO N#C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000193385924 509890525 /nfs/dbraw/zinc/89/05/25/509890525.db2.gz IXBRDIPIQMWJJN-INIZCTEOSA-N 1 2 360.259 2.555 20 30 FFEDLO N#C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000193385924 509890529 /nfs/dbraw/zinc/89/05/29/509890529.db2.gz IXBRDIPIQMWJJN-INIZCTEOSA-N 1 2 360.259 2.555 20 30 FFEDLO CCCC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000245388591 509892026 /nfs/dbraw/zinc/89/20/26/509892026.db2.gz DMABUAFUXZFOFO-GDBMZVCRSA-N 1 2 374.485 2.723 20 30 FFEDLO CCCC(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000245388591 509892030 /nfs/dbraw/zinc/89/20/30/509892030.db2.gz DMABUAFUXZFOFO-GDBMZVCRSA-N 1 2 374.485 2.723 20 30 FFEDLO CO[C@@H](C)c1nc(CO[NH+]=C(N)COc2cc(F)cc(F)c2)cs1 ZINC000186839541 509910467 /nfs/dbraw/zinc/91/04/67/509910467.db2.gz BXQFSBMYQIETNE-VIFPVBQESA-N 1 2 357.382 2.997 20 30 FFEDLO C=CCCCN(C)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000186866319 509918555 /nfs/dbraw/zinc/91/85/55/509918555.db2.gz MCCCJSRZPNRESV-UHFFFAOYSA-N 1 2 358.486 2.781 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(C)(CO)CC1 ZINC000186938862 509962415 /nfs/dbraw/zinc/96/24/15/509962415.db2.gz XTVHMDQPNMRAGV-HNNXBMFYSA-N 1 2 361.511 2.971 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCn2cc[nH+]c2)cc1 ZINC000193597751 509983866 /nfs/dbraw/zinc/98/38/66/509983866.db2.gz DMAYHQXRXLXRFJ-UHFFFAOYSA-N 1 2 353.426 2.519 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171222855 510017419 /nfs/dbraw/zinc/01/74/19/510017419.db2.gz FWIPTQWHIJEJJH-UHFFFAOYSA-N 1 2 360.458 2.578 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171222855 510017426 /nfs/dbraw/zinc/01/74/26/510017426.db2.gz FWIPTQWHIJEJJH-UHFFFAOYSA-N 1 2 360.458 2.578 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000171281494 510053353 /nfs/dbraw/zinc/05/33/53/510053353.db2.gz RSVVAKJLIVOCFD-INIZCTEOSA-N 1 2 365.433 2.801 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000184023080 510092226 /nfs/dbraw/zinc/09/22/26/510092226.db2.gz DIJRMTFMQJXAFO-INIZCTEOSA-N 1 2 369.387 2.841 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000184023080 510092229 /nfs/dbraw/zinc/09/22/29/510092229.db2.gz DIJRMTFMQJXAFO-INIZCTEOSA-N 1 2 369.387 2.841 20 30 FFEDLO C=CCSCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245709419 510099493 /nfs/dbraw/zinc/09/94/93/510099493.db2.gz SMSOIHVTVHSDPV-HZPDHXFCSA-N 1 2 355.454 2.928 20 30 FFEDLO C=CCSCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245709419 510099501 /nfs/dbraw/zinc/09/95/01/510099501.db2.gz SMSOIHVTVHSDPV-HZPDHXFCSA-N 1 2 355.454 2.928 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(Cl)c1F ZINC000177511907 510106129 /nfs/dbraw/zinc/10/61/29/510106129.db2.gz BYGPQUYCBZDDED-UHFFFAOYSA-N 1 2 354.813 2.559 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000174427042 510109947 /nfs/dbraw/zinc/10/99/47/510109947.db2.gz KJCCVDHAPSVBAO-CQSZACIVSA-N 1 2 370.234 2.730 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000174427042 510109953 /nfs/dbraw/zinc/10/99/53/510109953.db2.gz KJCCVDHAPSVBAO-CQSZACIVSA-N 1 2 370.234 2.730 20 30 FFEDLO C=CCCCC(=O)N1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000178014632 510378020 /nfs/dbraw/zinc/37/80/20/510378020.db2.gz KTGQMLDALUIELZ-UHFFFAOYSA-N 1 2 362.470 2.713 20 30 FFEDLO Cn1cc([C@@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)c2ccc(F)cc2)cn1 ZINC000184582971 510399903 /nfs/dbraw/zinc/39/99/03/510399903.db2.gz DWVKIYBAATYJBC-IBGZPJMESA-N 1 2 369.444 2.581 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000184616383 510418734 /nfs/dbraw/zinc/41/87/34/510418734.db2.gz ZIBROFWJBVNUIS-UHFFFAOYSA-N 1 2 365.393 2.553 20 30 FFEDLO COc1cccc([C@@H]2C[N@H+](CCC(=O)Nc3cccc(C#N)c3)CCO2)c1 ZINC000178178746 510475022 /nfs/dbraw/zinc/47/50/22/510475022.db2.gz GLQINJCTGOXVHR-FQEVSTJZSA-N 1 2 365.433 2.969 20 30 FFEDLO COc1cccc([C@@H]2C[N@@H+](CCC(=O)Nc3cccc(C#N)c3)CCO2)c1 ZINC000178178746 510475027 /nfs/dbraw/zinc/47/50/27/510475027.db2.gz GLQINJCTGOXVHR-FQEVSTJZSA-N 1 2 365.433 2.969 20 30 FFEDLO C=CCc1cc(CN2CC[NH+](Cc3ccncc3)CC2)cc(OC)c1O ZINC000184713431 510478333 /nfs/dbraw/zinc/47/83/33/510478333.db2.gz PAHARLPEAKXNBC-UHFFFAOYSA-N 1 2 353.466 2.842 20 30 FFEDLO C=CCc1cc(C[NH+]2CCN(Cc3ccncc3)CC2)cc(OC)c1O ZINC000184713431 510478337 /nfs/dbraw/zinc/47/83/37/510478337.db2.gz PAHARLPEAKXNBC-UHFFFAOYSA-N 1 2 353.466 2.842 20 30 FFEDLO C[C@@H](N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1)C(F)(F)F ZINC000178248738 510508764 /nfs/dbraw/zinc/50/87/64/510508764.db2.gz IEIKCOIWMBBXGS-LLVKDONJSA-N 1 2 360.405 2.517 20 30 FFEDLO CS[C@H]1CCCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000269700105 510517899 /nfs/dbraw/zinc/51/78/99/510517899.db2.gz YHRMUKSUNJIUTR-DZGCQCFKSA-N 1 2 370.478 2.729 20 30 FFEDLO CS[C@H]1CCCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000269700105 510517908 /nfs/dbraw/zinc/51/79/08/510517908.db2.gz YHRMUKSUNJIUTR-DZGCQCFKSA-N 1 2 370.478 2.729 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000178273608 510521898 /nfs/dbraw/zinc/52/18/98/510521898.db2.gz JNZDAWRQQKJJEX-WBVHZDCISA-N 1 2 372.431 2.723 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCCN(c3nccs3)CC2)c(C#N)c1C ZINC000194965478 510611576 /nfs/dbraw/zinc/61/15/76/510611576.db2.gz YNENBUGVNWNFOL-ZDUSSCGKSA-N 1 2 373.482 2.764 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCCN(c3nccs3)CC2)c(C#N)c1C ZINC000194965478 510611585 /nfs/dbraw/zinc/61/15/85/510611585.db2.gz YNENBUGVNWNFOL-ZDUSSCGKSA-N 1 2 373.482 2.764 20 30 FFEDLO N#Cc1ccc(C2(C(=O)N3CC[NH+](Cc4cccc(O)c4)CC3)CC2)cc1 ZINC000188141509 510615679 /nfs/dbraw/zinc/61/56/79/510615679.db2.gz MMLIIOCMESQQGS-UHFFFAOYSA-N 1 2 361.445 2.640 20 30 FFEDLO C#CCC(C)(C)C(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000185023068 510640068 /nfs/dbraw/zinc/64/00/68/510640068.db2.gz WFSFKUDJPPFNTC-UHFFFAOYSA-N 1 2 352.482 2.645 20 30 FFEDLO C#CCC(C)(C)C(=O)N1CCN(Cc2c(C)[nH+]c3cc(C)ccn32)CC1 ZINC000185023068 510640078 /nfs/dbraw/zinc/64/00/78/510640078.db2.gz WFSFKUDJPPFNTC-UHFFFAOYSA-N 1 2 352.482 2.645 20 30 FFEDLO COC(=O)[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000191478803 510680426 /nfs/dbraw/zinc/68/04/26/510680426.db2.gz XDEQGCIYTNNHMD-HXUWFJFHSA-N 1 2 364.445 2.760 20 30 FFEDLO COC(=O)[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000191478803 510680431 /nfs/dbraw/zinc/68/04/31/510680431.db2.gz XDEQGCIYTNNHMD-HXUWFJFHSA-N 1 2 364.445 2.760 20 30 FFEDLO COCCN(C)c1ccc(CNc2[nH+]cccc2OCCCC#N)cn1 ZINC000191570647 510729866 /nfs/dbraw/zinc/72/98/66/510729866.db2.gz FMBIMIJSEWKWEM-UHFFFAOYSA-N 1 2 355.442 2.854 20 30 FFEDLO C=CCCCN(C)C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270260469 510737958 /nfs/dbraw/zinc/73/79/58/510737958.db2.gz ZCKFNDCBDMGBQJ-UHFFFAOYSA-N 1 2 364.449 2.965 20 30 FFEDLO C[C@@](C#N)(NC(=O)CNc1cccc2c1CN(c1cccc[nH+]1)C2)C1CC1 ZINC000270403956 510794798 /nfs/dbraw/zinc/79/47/98/510794798.db2.gz LIUGMWCNYGOQHE-NRFANRHFSA-N 1 2 361.449 2.822 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c(C#N)c1C ZINC000247027593 510806583 /nfs/dbraw/zinc/80/65/83/510806583.db2.gz MEBGCVBYTZCULR-ZBSNKRKSSA-N 1 2 373.478 2.965 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)c(C#N)c1C ZINC000247027593 510806587 /nfs/dbraw/zinc/80/65/87/510806587.db2.gz MEBGCVBYTZCULR-ZBSNKRKSSA-N 1 2 373.478 2.965 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000195404438 510814701 /nfs/dbraw/zinc/81/47/01/510814701.db2.gz UDHWYHKSJZQMOL-PKOBYXMFSA-N 1 2 374.506 2.993 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000195404438 510814704 /nfs/dbraw/zinc/81/47/04/510814704.db2.gz UDHWYHKSJZQMOL-PKOBYXMFSA-N 1 2 374.506 2.993 20 30 FFEDLO C[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)[NH+]1CCN(C)CC1 ZINC000263732929 510817022 /nfs/dbraw/zinc/81/70/22/510817022.db2.gz HHEURYTXOQBENU-KRWDZBQOSA-N 1 2 362.477 2.591 20 30 FFEDLO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1nnc2ccccn21 ZINC000172610081 510819305 /nfs/dbraw/zinc/81/93/05/510819305.db2.gz DKERDEZOTRXNGL-LLVKDONJSA-N 1 2 354.801 2.544 20 30 FFEDLO COc1c(Cl)cc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1Cl ZINC000329924856 510878589 /nfs/dbraw/zinc/87/85/89/510878589.db2.gz JIXYFRHPAZZQQX-STQMWFEESA-N 1 2 360.241 2.562 20 30 FFEDLO COc1c(Cl)cc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1Cl ZINC000329924856 510878595 /nfs/dbraw/zinc/87/85/95/510878595.db2.gz JIXYFRHPAZZQQX-STQMWFEESA-N 1 2 360.241 2.562 20 30 FFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCSC[C@@H]1c1nccs1 ZINC000329930362 510880609 /nfs/dbraw/zinc/88/06/09/510880609.db2.gz OIYZMTXZVJRVFM-CYBMUJFWSA-N 1 2 363.512 2.880 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000275357426 510882782 /nfs/dbraw/zinc/88/27/82/510882782.db2.gz VTBACHMMWMAQFM-CJNGLKHVSA-N 1 2 359.817 2.987 20 30 FFEDLO Cc1cccc2c1OCC[C@H]2NC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000329947811 510884037 /nfs/dbraw/zinc/88/40/37/510884037.db2.gz HFLCTTFCXHVNPR-PKOBYXMFSA-N 1 2 373.497 2.775 20 30 FFEDLO Cc1cccc2c1OCC[C@H]2NC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000329947811 510884040 /nfs/dbraw/zinc/88/40/40/510884040.db2.gz HFLCTTFCXHVNPR-PKOBYXMFSA-N 1 2 373.497 2.775 20 30 FFEDLO CO[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)C1 ZINC000329962729 510888253 /nfs/dbraw/zinc/88/82/53/510888253.db2.gz SVWGUECMFQWSCJ-ZQDZILKHSA-N 1 2 355.479 2.732 20 30 FFEDLO CO[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)C1 ZINC000329962729 510888261 /nfs/dbraw/zinc/88/82/61/510888261.db2.gz SVWGUECMFQWSCJ-ZQDZILKHSA-N 1 2 355.479 2.732 20 30 FFEDLO CCC1(CC)Oc2ccc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)cc2O1 ZINC000329962268 510888392 /nfs/dbraw/zinc/88/83/92/510888392.db2.gz SADUIYRKNPEDOP-WMLDXEAASA-N 1 2 361.442 2.534 20 30 FFEDLO CCC1(CC)Oc2ccc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)cc2O1 ZINC000329962268 510888400 /nfs/dbraw/zinc/88/84/00/510888400.db2.gz SADUIYRKNPEDOP-WMLDXEAASA-N 1 2 361.442 2.534 20 30 FFEDLO COc1cc[nH+]cc1CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000293920186 510898674 /nfs/dbraw/zinc/89/86/74/510898674.db2.gz BARWUXIDUNQQDT-UHFFFAOYSA-N 1 2 366.421 2.715 20 30 FFEDLO Cn1cnc(-c2cccc(NC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)c2)n1 ZINC000330023864 510901595 /nfs/dbraw/zinc/90/15/95/510901595.db2.gz JFPRDILVJQGSNZ-UHFFFAOYSA-N 1 2 351.414 2.630 20 30 FFEDLO Cn1cnc(-c2cccc(NC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)c2)n1 ZINC000330023864 510901601 /nfs/dbraw/zinc/90/16/01/510901601.db2.gz JFPRDILVJQGSNZ-UHFFFAOYSA-N 1 2 351.414 2.630 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+]([C@@H](C(N)=O)c3ccc(F)cc3)CC2)c(F)c1 ZINC000285431555 510903783 /nfs/dbraw/zinc/90/37/83/510903783.db2.gz HKSPOGIAVIPDKD-LJQANCHMSA-N 1 2 371.387 2.906 20 30 FFEDLO Cc1cc(NC(=O)Nc2ccccc2C[NH+]2CCOCC2)nn1CCC#N ZINC000275855230 510918658 /nfs/dbraw/zinc/91/86/58/510918658.db2.gz OBHASVLREZPXFO-UHFFFAOYSA-N 1 2 368.441 2.581 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)NCCc2c(F)cccc2F)C[C@]2(CCCOC2)O1 ZINC000330122422 510920268 /nfs/dbraw/zinc/92/02/68/510920268.db2.gz KIKZCTQHMJBELR-KUHUBIRLSA-N 1 2 368.424 2.734 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)NCCc2c(F)cccc2F)C[C@]2(CCCOC2)O1 ZINC000330122422 510920269 /nfs/dbraw/zinc/92/02/69/510920269.db2.gz KIKZCTQHMJBELR-KUHUBIRLSA-N 1 2 368.424 2.734 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330130507 510922293 /nfs/dbraw/zinc/92/22/93/510922293.db2.gz PCQNNJXGEFJWHS-IGCXYCKISA-N 1 2 353.850 2.981 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330130507 510922297 /nfs/dbraw/zinc/92/22/97/510922297.db2.gz PCQNNJXGEFJWHS-IGCXYCKISA-N 1 2 353.850 2.981 20 30 FFEDLO COCc1ncc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000285485279 510926769 /nfs/dbraw/zinc/92/67/69/510926769.db2.gz OPXGKGUNORZZIL-UHFFFAOYSA-N 1 2 370.478 2.509 20 30 FFEDLO COCc1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000285485279 510926773 /nfs/dbraw/zinc/92/67/73/510926773.db2.gz OPXGKGUNORZZIL-UHFFFAOYSA-N 1 2 370.478 2.509 20 30 FFEDLO N#CCCCOc1cccnc1NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000276102117 510927941 /nfs/dbraw/zinc/92/79/41/510927941.db2.gz SBEDNPMQIBDCRI-UHFFFAOYSA-N 1 2 369.425 2.707 20 30 FFEDLO O=C(C[N@@H+]1CCc2cc[nH]c(=O)c2C1)Nc1ccc2c(c1)OCCCO2 ZINC000330205352 510936150 /nfs/dbraw/zinc/93/61/50/510936150.db2.gz CICPSYGAMPAJHF-UHFFFAOYSA-N 1 2 355.394 2.595 20 30 FFEDLO O=C(C[N@H+]1CCc2cc[nH]c(=O)c2C1)Nc1ccc2c(c1)OCCCO2 ZINC000330205352 510936155 /nfs/dbraw/zinc/93/61/55/510936155.db2.gz CICPSYGAMPAJHF-UHFFFAOYSA-N 1 2 355.394 2.595 20 30 FFEDLO C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285538616 510947952 /nfs/dbraw/zinc/94/79/52/510947952.db2.gz QHKJKTFBBMNGAI-LBPRGKRZSA-N 1 2 356.405 2.623 20 30 FFEDLO CC[C@]1(CO)CCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000330282561 510957381 /nfs/dbraw/zinc/95/73/81/510957381.db2.gz VLOAUYUJZQSRCB-YWZLYKJASA-N 1 2 362.518 2.894 20 30 FFEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000330309347 510961399 /nfs/dbraw/zinc/96/13/99/510961399.db2.gz MTOOFLUHZMVMSF-KZULUSFZSA-N 1 2 354.435 2.783 20 30 FFEDLO N#Cc1ccccc1OCC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282404313 510962727 /nfs/dbraw/zinc/96/27/27/510962727.db2.gz SFDAZLWVMYLJDI-QGZVFWFLSA-N 1 2 364.449 2.876 20 30 FFEDLO O=C(N[C@H]1CCCCNC1=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000330333204 510966803 /nfs/dbraw/zinc/96/68/03/510966803.db2.gz POZAOZQZZUUVHP-INIZCTEOSA-N 1 2 359.474 2.822 20 30 FFEDLO C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330334390 510967327 /nfs/dbraw/zinc/96/73/27/510967327.db2.gz QOXSDBCZRUSGAF-GGNLRSJOSA-N 1 2 357.410 2.825 20 30 FFEDLO CCN1CCN(C(=O)Nc2cccc(N3CCCC3)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330349377 510972088 /nfs/dbraw/zinc/97/20/88/510972088.db2.gz JUZGMVVBMDSPRM-SFHVURJKSA-N 1 2 368.485 2.934 20 30 FFEDLO CCN1CCN(C(=O)Nc2ccc3ccn(C)c3c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330356018 510973072 /nfs/dbraw/zinc/97/30/72/510973072.db2.gz RERVTSABWLFONJ-KRWDZBQOSA-N 1 2 352.442 2.826 20 30 FFEDLO C#CCOc1ccc(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000297574697 510996832 /nfs/dbraw/zinc/99/68/32/510996832.db2.gz QSAVNEXFCLTYBU-VQIMIIECSA-N 1 2 352.438 2.688 20 30 FFEDLO Cc1nc2scc(C3CC3)n2c1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000297584804 510998008 /nfs/dbraw/zinc/99/80/08/510998008.db2.gz DUNFTUZJNDYOMF-UHFFFAOYSA-N 1 2 373.526 2.630 20 30 FFEDLO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000330553663 510999120 /nfs/dbraw/zinc/99/91/20/510999120.db2.gz CWKZTFLBNIANPK-CYBMUJFWSA-N 1 2 350.419 2.549 20 30 FFEDLO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000330553663 510999122 /nfs/dbraw/zinc/99/91/22/510999122.db2.gz CWKZTFLBNIANPK-CYBMUJFWSA-N 1 2 350.419 2.549 20 30 FFEDLO C=CCc1cc(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)cc(OC)c1O ZINC000278653266 511002789 /nfs/dbraw/zinc/00/27/89/511002789.db2.gz JVMFQYDTMGHTTE-INIZCTEOSA-N 1 2 353.484 2.528 20 30 FFEDLO C=CCc1cc(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)cc(OC)c1O ZINC000278653266 511002792 /nfs/dbraw/zinc/00/27/92/511002792.db2.gz JVMFQYDTMGHTTE-INIZCTEOSA-N 1 2 353.484 2.528 20 30 FFEDLO CC[C@H](CC#N)NC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278695631 511005150 /nfs/dbraw/zinc/00/51/50/511005150.db2.gz PNRVIIJACAOVAX-OAHLLOKOSA-N 1 2 365.437 2.633 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CC=C(c3ccnn3C)CC2)c(C#N)c1C ZINC000285685890 511009572 /nfs/dbraw/zinc/00/95/72/511009572.db2.gz RLIGRQIJIDPANO-UHFFFAOYSA-N 1 2 355.467 2.698 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CC=C(c3ccnn3C)CC2)c(C#N)c1C ZINC000285685890 511009578 /nfs/dbraw/zinc/00/95/78/511009578.db2.gz RLIGRQIJIDPANO-UHFFFAOYSA-N 1 2 355.467 2.698 20 30 FFEDLO C=CCCN(C)C(=O)C(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000297642100 511019354 /nfs/dbraw/zinc/01/93/54/511019354.db2.gz DLFXVHCHMZTLFW-UHFFFAOYSA-N 1 2 354.454 2.543 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000286935626 511036095 /nfs/dbraw/zinc/03/60/95/511036095.db2.gz IEQUWORVOYCEBE-QAPCUYQASA-N 1 2 356.470 2.815 20 30 FFEDLO CCN(C)C(=O)[C@H](C)NC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000331024818 511037218 /nfs/dbraw/zinc/03/72/18/511037218.db2.gz ACVFKPXCGFQSDI-GJZGRUSLSA-N 1 2 361.490 2.962 20 30 FFEDLO Cc1cc(NC(=O)C[NH+]2CCC(C)(C#N)CC2)n(-c2ccccc2F)n1 ZINC000331505807 511066193 /nfs/dbraw/zinc/06/61/93/511066193.db2.gz AVVIHVJZGOMPMF-UHFFFAOYSA-N 1 2 355.417 2.884 20 30 FFEDLO CN(C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1)C1(C#N)CCCCC1 ZINC000331607355 511069701 /nfs/dbraw/zinc/06/97/01/511069701.db2.gz OTZQCEBVMZYUGY-ZWKOTPCHSA-N 1 2 359.445 2.618 20 30 FFEDLO CN(C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1)C1(C#N)CCCCC1 ZINC000331607355 511069704 /nfs/dbraw/zinc/06/97/04/511069704.db2.gz OTZQCEBVMZYUGY-ZWKOTPCHSA-N 1 2 359.445 2.618 20 30 FFEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000297835224 511083809 /nfs/dbraw/zinc/08/38/09/511083809.db2.gz KDSCXXXOJPXQOU-GFCCVEGCSA-N 1 2 369.918 2.502 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000297835224 511083811 /nfs/dbraw/zinc/08/38/11/511083811.db2.gz KDSCXXXOJPXQOU-GFCCVEGCSA-N 1 2 369.918 2.502 20 30 FFEDLO N#C[C@]1(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC12CCCC2 ZINC000294515815 511090604 /nfs/dbraw/zinc/09/06/04/511090604.db2.gz STPVNSJSPOHMOC-NRFANRHFSA-N 1 2 353.466 2.609 20 30 FFEDLO N#CCCn1ccc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282788463 511112044 /nfs/dbraw/zinc/11/20/44/511112044.db2.gz QXBOBJSRBAECRT-HNNXBMFYSA-N 1 2 367.457 2.741 20 30 FFEDLO C=C(C)CN(CC)C(=O)C(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000297983423 511131169 /nfs/dbraw/zinc/13/11/69/511131169.db2.gz XHLXRRMTWHRQRK-UHFFFAOYSA-N 1 2 368.481 2.933 20 30 FFEDLO C[C@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)c1ccc(OCC#N)cc1 ZINC000291132325 511159886 /nfs/dbraw/zinc/15/98/86/511159886.db2.gz FBKNRKLFCSKXIU-INIZCTEOSA-N 1 2 364.449 2.694 20 30 FFEDLO C[C@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)c1ccc(OCC#N)cc1 ZINC000291132325 511159893 /nfs/dbraw/zinc/15/98/93/511159893.db2.gz FBKNRKLFCSKXIU-INIZCTEOSA-N 1 2 364.449 2.694 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000279735530 511195067 /nfs/dbraw/zinc/19/50/67/511195067.db2.gz KBCDHJLXGRQCCA-NEYJZJCJSA-N 1 2 371.481 2.590 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000279735530 511195072 /nfs/dbraw/zinc/19/50/72/511195072.db2.gz KBCDHJLXGRQCCA-NEYJZJCJSA-N 1 2 371.481 2.590 20 30 FFEDLO N#CC[C@@H](O)CSc1nnc(C[NH+]2CCCCC2)n1Cc1ccccc1 ZINC000294891571 511210889 /nfs/dbraw/zinc/21/08/89/511210889.db2.gz GEMXQHBLTQKVPU-QGZVFWFLSA-N 1 2 371.510 2.679 20 30 FFEDLO C=C[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000291532624 511235172 /nfs/dbraw/zinc/23/51/72/511235172.db2.gz KLAHPSNQUJYIKU-VIFPVBQESA-N 1 2 351.038 2.554 20 30 FFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(CC#N)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000333427567 511240327 /nfs/dbraw/zinc/24/03/27/511240327.db2.gz MZPCPEDVVWJSPM-HZPDHXFCSA-N 1 2 367.902 2.698 20 30 FFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CC2(CC#N)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000333427567 511240332 /nfs/dbraw/zinc/24/03/32/511240332.db2.gz MZPCPEDVVWJSPM-HZPDHXFCSA-N 1 2 367.902 2.698 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000295217226 511324141 /nfs/dbraw/zinc/32/41/41/511324141.db2.gz BIAODOHWYVVHNX-UHFFFAOYSA-N 1 2 353.470 2.936 20 30 FFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000333701627 511327872 /nfs/dbraw/zinc/32/78/72/511327872.db2.gz ODSPKYRYGNQGJO-MUPZEOKQSA-N 1 2 367.559 2.539 20 30 FFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000333701627 511327874 /nfs/dbraw/zinc/32/78/74/511327874.db2.gz ODSPKYRYGNQGJO-MUPZEOKQSA-N 1 2 367.559 2.539 20 30 FFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000333701622 511328209 /nfs/dbraw/zinc/32/82/09/511328209.db2.gz ODSPKYRYGNQGJO-BDUMNRPSSA-N 1 2 367.559 2.539 20 30 FFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000333701622 511328212 /nfs/dbraw/zinc/32/82/12/511328212.db2.gz ODSPKYRYGNQGJO-BDUMNRPSSA-N 1 2 367.559 2.539 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)c1 ZINC000363108521 511358625 /nfs/dbraw/zinc/35/86/25/511358625.db2.gz VSMJJURKOGFVPV-JOCHJYFZSA-N 1 2 356.429 2.949 20 30 FFEDLO N#Cc1cc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)cc(N)c1[N+](=O)[O-] ZINC000283558169 511414409 /nfs/dbraw/zinc/41/44/09/511414409.db2.gz NBVVUUYKOLFTCG-GOSISDBHSA-N 1 2 367.409 2.534 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000280317699 511418010 /nfs/dbraw/zinc/41/80/10/511418010.db2.gz GNSWKQMNOKHSCP-BXWFABGCSA-N 1 2 364.511 2.531 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000280317699 511418015 /nfs/dbraw/zinc/41/80/15/511418015.db2.gz GNSWKQMNOKHSCP-BXWFABGCSA-N 1 2 364.511 2.531 20 30 FFEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC000272072343 511421241 /nfs/dbraw/zinc/42/12/41/511421241.db2.gz ZHTNGPQIWHUEKV-UHFFFAOYSA-N 1 2 351.397 2.986 20 30 FFEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000272317190 511490861 /nfs/dbraw/zinc/49/08/61/511490861.db2.gz SSKLOGPVNJVTSJ-UHFFFAOYSA-N 1 2 367.405 2.946 20 30 FFEDLO C=CC[N@H+](CCc1ccco1)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000272317190 511490864 /nfs/dbraw/zinc/49/08/64/511490864.db2.gz SSKLOGPVNJVTSJ-UHFFFAOYSA-N 1 2 367.405 2.946 20 30 FFEDLO CCN(CC)c1ccc(CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c[nH+]1 ZINC000280552457 511507885 /nfs/dbraw/zinc/50/78/85/511507885.db2.gz AXBRGAALRBVJEG-LJQANCHMSA-N 1 2 361.449 2.798 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000273398956 511524523 /nfs/dbraw/zinc/52/45/23/511524523.db2.gz QMQRBEQFNYCTBJ-CQSZACIVSA-N 1 2 358.442 2.820 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000280617978 511534272 /nfs/dbraw/zinc/53/42/72/511534272.db2.gz BJKNAYMCLUNCJZ-QUCCMNQESA-N 1 2 368.481 2.906 20 30 FFEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCc2cscn2)CC1 ZINC000283990734 511567729 /nfs/dbraw/zinc/56/77/29/511567729.db2.gz MVKYLJHAGBHFCT-UHFFFAOYSA-N 1 2 355.423 2.627 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)/C=C/c2ccc(OCC#N)cc2)CC1(C)C ZINC000296441568 511744498 /nfs/dbraw/zinc/74/44/98/511744498.db2.gz YVEDTBPRLJIJLX-YOCVDRLZSA-N 1 2 350.422 2.945 20 30 FFEDLO C=CC[N@@H+](Cc1c(C)nn(CCS(C)(=O)=O)c1C)Cc1ccccc1 ZINC000281282983 511789344 /nfs/dbraw/zinc/78/93/44/511789344.db2.gz MFWADZNUCQXHPP-UHFFFAOYSA-N 1 2 361.511 2.733 20 30 FFEDLO C=CC[N@H+](Cc1c(C)nn(CCS(C)(=O)=O)c1C)Cc1ccccc1 ZINC000281282983 511789345 /nfs/dbraw/zinc/78/93/45/511789345.db2.gz MFWADZNUCQXHPP-UHFFFAOYSA-N 1 2 361.511 2.733 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000284827897 511887093 /nfs/dbraw/zinc/88/70/93/511887093.db2.gz QGCSYAYVLJSTIO-HNNXBMFYSA-N 1 2 369.490 2.928 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000284827897 511887101 /nfs/dbraw/zinc/88/71/01/511887101.db2.gz QGCSYAYVLJSTIO-HNNXBMFYSA-N 1 2 369.490 2.928 20 30 FFEDLO Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000328726850 511922163 /nfs/dbraw/zinc/92/21/63/511922163.db2.gz ZWYBWBVMTQMJCN-MOPGFXCFSA-N 1 2 370.428 2.756 20 30 FFEDLO Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000328726850 511922169 /nfs/dbraw/zinc/92/21/69/511922169.db2.gz ZWYBWBVMTQMJCN-MOPGFXCFSA-N 1 2 370.428 2.756 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCOCC1 ZINC000328845483 511940244 /nfs/dbraw/zinc/94/02/44/511940244.db2.gz XFHDWWOWNIDRIG-HNNXBMFYSA-N 1 2 352.438 2.911 20 30 FFEDLO C[C@@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)N1CCOCC1 ZINC000328852335 511940906 /nfs/dbraw/zinc/94/09/06/511940906.db2.gz ITYPNFBLILYUCD-KGLIPLIRSA-N 1 2 352.504 2.684 20 30 FFEDLO C[C@@H](C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)N1CCOCC1 ZINC000328852335 511940910 /nfs/dbraw/zinc/94/09/10/511940910.db2.gz ITYPNFBLILYUCD-KGLIPLIRSA-N 1 2 352.504 2.684 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C([O-])=[NH+][C@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000328878561 511943630 /nfs/dbraw/zinc/94/36/30/511943630.db2.gz UQOZGNFEQSYJNA-CABCVRRESA-N 1 2 370.501 2.632 20 30 FFEDLO CC[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1nnc2n1CCCCC2 ZINC000328876300 511944248 /nfs/dbraw/zinc/94/42/48/511944248.db2.gz SKRGXWSJSYMZRT-CABCVRRESA-N 1 2 371.489 2.593 20 30 FFEDLO CC(=O)N1CCC(NC(=O)C[NH+]2CC(c3nc4ccccc4s3)C2)CC1 ZINC000328920577 511950302 /nfs/dbraw/zinc/95/03/02/511950302.db2.gz SZGHQKROCUZULL-UHFFFAOYSA-N 1 2 372.494 2.663 20 30 FFEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(=O)[C@@H](C)C3)n2)C1 ZINC000328941541 511953349 /nfs/dbraw/zinc/95/33/49/511953349.db2.gz ICZMBCBVXKPXTH-STQMWFEESA-N 1 2 350.488 2.831 20 30 FFEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(=O)[C@@H](C)C3)n2)C1 ZINC000328941541 511953354 /nfs/dbraw/zinc/95/33/54/511953354.db2.gz ICZMBCBVXKPXTH-STQMWFEESA-N 1 2 350.488 2.831 20 30 FFEDLO C[C@@H]1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CCC1=O ZINC000328941539 511953689 /nfs/dbraw/zinc/95/36/89/511953689.db2.gz ICZMBCBVXKPXTH-QWHCGFSZSA-N 1 2 350.488 2.831 20 30 FFEDLO C[C@@H]1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CCC1=O ZINC000328941539 511953694 /nfs/dbraw/zinc/95/36/94/511953694.db2.gz ICZMBCBVXKPXTH-QWHCGFSZSA-N 1 2 350.488 2.831 20 30 FFEDLO CNC(=O)[C@@H]1CCC[C@@H]1[NH+]=C([O-])N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000328946783 511954145 /nfs/dbraw/zinc/95/41/45/511954145.db2.gz GQRBBSIFQNORSR-MCIONIFRSA-N 1 2 361.490 2.754 20 30 FFEDLO CNC(=O)[C@@H]1CCC[C@@H]1NC([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000328946783 511954151 /nfs/dbraw/zinc/95/41/51/511954151.db2.gz GQRBBSIFQNORSR-MCIONIFRSA-N 1 2 361.490 2.754 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000281765155 511957785 /nfs/dbraw/zinc/95/77/85/511957785.db2.gz JCKQJSPKXDDMFZ-WBAXXEDZSA-N 1 2 372.444 2.929 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@H]1c1ccc(F)c(F)c1 ZINC000328994703 511963887 /nfs/dbraw/zinc/96/38/87/511963887.db2.gz FBZPGEICIDEGEH-SOUVJXGZSA-N 1 2 352.385 2.624 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@H]1c1ccc(F)c(F)c1 ZINC000328994703 511963889 /nfs/dbraw/zinc/96/38/89/511963889.db2.gz FBZPGEICIDEGEH-SOUVJXGZSA-N 1 2 352.385 2.624 20 30 FFEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(N4CCCCC4)nc3)C2)n1 ZINC000329027187 511969904 /nfs/dbraw/zinc/96/99/04/511969904.db2.gz KBYPGPLVEFLSDR-OAHLLOKOSA-N 1 2 370.457 2.841 20 30 FFEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(N4CCCCC4)nc3)C2)n1 ZINC000329027187 511969905 /nfs/dbraw/zinc/96/99/05/511969905.db2.gz KBYPGPLVEFLSDR-OAHLLOKOSA-N 1 2 370.457 2.841 20 30 FFEDLO COc1ccc([C@H](NC(=O)C[N@@H+]2CCO[C@@]3(CCCOC3)C2)C2CC2)cc1 ZINC000329038220 511972342 /nfs/dbraw/zinc/97/23/42/511972342.db2.gz CTSGRPSQTKGWLE-RTWAWAEBSA-N 1 2 374.481 2.984 20 30 FFEDLO COc1ccc([C@H](NC(=O)C[N@H+]2CCO[C@@]3(CCCOC3)C2)C2CC2)cc1 ZINC000329038220 511972343 /nfs/dbraw/zinc/97/23/43/511972343.db2.gz CTSGRPSQTKGWLE-RTWAWAEBSA-N 1 2 374.481 2.984 20 30 FFEDLO N#Cc1ccsc1NC(=O)CC[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000366378877 511988088 /nfs/dbraw/zinc/98/80/88/511988088.db2.gz PAVWKDAAGGIPQM-UHFFFAOYSA-N 1 2 367.381 2.938 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)C[C@H](C)O1 ZINC000329305518 512024276 /nfs/dbraw/zinc/02/42/76/512024276.db2.gz AUPZYEXSCRXTKZ-CGENQQAYSA-N 1 2 373.497 2.544 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)C[C@H](C)O1 ZINC000329305518 512024280 /nfs/dbraw/zinc/02/42/80/512024280.db2.gz AUPZYEXSCRXTKZ-CGENQQAYSA-N 1 2 373.497 2.544 20 30 FFEDLO C=CC[C@H](C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000275045468 512024529 /nfs/dbraw/zinc/02/45/29/512024529.db2.gz TYKCSLRVWHFHEG-IBGZPJMESA-N 1 2 354.454 2.514 20 30 FFEDLO CC(C)(CNC(=O)N1Cc2ccccc2OC(C)(C)C1)[NH+]1CCOCC1 ZINC000329312752 512025230 /nfs/dbraw/zinc/02/52/30/512025230.db2.gz CXXMTQILZPBQTD-UHFFFAOYSA-N 1 2 361.486 2.684 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3C[C@@H]4CC[C@@H](O)[C@@H]4C3)n2)C1 ZINC000329329934 512028037 /nfs/dbraw/zinc/02/80/37/512028037.db2.gz LHBDTNVZJPYFDQ-OCVGTWLNSA-N 1 2 364.515 2.623 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3C[C@@H]4CC[C@@H](O)[C@@H]4C3)n2)C1 ZINC000329329934 512028042 /nfs/dbraw/zinc/02/80/42/512028042.db2.gz LHBDTNVZJPYFDQ-OCVGTWLNSA-N 1 2 364.515 2.623 20 30 FFEDLO CC[C@H]1CCCCN1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329344944 512030959 /nfs/dbraw/zinc/03/09/59/512030959.db2.gz QTHRCZZRECDNIF-ZSZQSSIHSA-N 1 2 373.501 2.793 20 30 FFEDLO Cc1cc(NC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329361276 512033850 /nfs/dbraw/zinc/03/38/50/512033850.db2.gz YITDWFCTZGIUND-GOEBONIOSA-N 1 2 371.485 2.667 20 30 FFEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc([C@H]3CCCOC3)cc2)CC1 ZINC000329366228 512034250 /nfs/dbraw/zinc/03/42/50/512034250.db2.gz GUZXKJNGWJZIQJ-IBGZPJMESA-N 1 2 373.497 2.705 20 30 FFEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc([C@H]3CCCOC3)cc2)CC1 ZINC000329366228 512034255 /nfs/dbraw/zinc/03/42/55/512034255.db2.gz GUZXKJNGWJZIQJ-IBGZPJMESA-N 1 2 373.497 2.705 20 30 FFEDLO C[C@@H]1C[C@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC(=O)N1 ZINC000329461770 512052101 /nfs/dbraw/zinc/05/21/01/512052101.db2.gz SOHJYPQZLWNSLS-NJAFHUGGSA-N 1 2 359.470 2.641 20 30 FFEDLO CCO[C@@H]1C[C@H](NC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@]12CCCO2 ZINC000329512190 512061180 /nfs/dbraw/zinc/06/11/80/512061180.db2.gz KWUJIPNCSZIVAA-ZNIMCQAWSA-N 1 2 368.518 2.803 20 30 FFEDLO CCO[C@@H]1C[C@H](NC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@]12CCCO2 ZINC000329512190 512061182 /nfs/dbraw/zinc/06/11/82/512061182.db2.gz KWUJIPNCSZIVAA-ZNIMCQAWSA-N 1 2 368.518 2.803 20 30 FFEDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCOCC2(CCC2)C1 ZINC000329537076 512065942 /nfs/dbraw/zinc/06/59/42/512065942.db2.gz UTUWDQBQAXXLGR-UHFFFAOYSA-N 1 2 354.454 2.848 20 30 FFEDLO CC(C)(C(=O)N1CC[NH+](Cc2cccnc2)CC1)c1cc(F)cc(C#N)c1 ZINC000285289066 512066671 /nfs/dbraw/zinc/06/66/71/512066671.db2.gz CLMPSVMXCFGHAJ-UHFFFAOYSA-N 1 2 366.440 2.714 20 30 FFEDLO C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3c[nH]c4nccnc34)CC2)C1 ZINC000329605535 512076455 /nfs/dbraw/zinc/07/64/55/512076455.db2.gz ZKCMPQXVZZKDJS-NVXWUHKLSA-N 1 2 370.501 2.562 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3c[nH]c4nccnc34)CC2)C1 ZINC000329605536 512076719 /nfs/dbraw/zinc/07/67/19/512076719.db2.gz ZKCMPQXVZZKDJS-WBVHZDCISA-N 1 2 370.501 2.562 20 30 FFEDLO Cc1ccc(NC(=O)C2CC[NH+](Cc3nnnn3C(C)(C)C)CC2)nc1 ZINC000329801552 512099153 /nfs/dbraw/zinc/09/91/53/512099153.db2.gz JSLXGRGHFLVEBI-UHFFFAOYSA-N 1 2 357.462 2.632 20 30 FFEDLO CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000411075023 512461058 /nfs/dbraw/zinc/46/10/58/512461058.db2.gz XDYNESPAJNGYRP-FQEVSTJZSA-N 1 2 363.417 2.600 20 30 FFEDLO CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000411075023 512461064 /nfs/dbraw/zinc/46/10/64/512461064.db2.gz XDYNESPAJNGYRP-FQEVSTJZSA-N 1 2 363.417 2.600 20 30 FFEDLO COc1ccc([C@H](NC(=O)NCC2(CC#N)CC2)c2[nH+]ccn2C)cc1 ZINC000373735886 512479817 /nfs/dbraw/zinc/47/98/17/512479817.db2.gz KEOCFYQAEMAHQM-INIZCTEOSA-N 1 2 353.426 2.511 20 30 FFEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000411196051 512515674 /nfs/dbraw/zinc/51/56/74/512515674.db2.gz WVNFJHUAHITJPK-NSHDSACASA-N 1 2 361.339 2.590 20 30 FFEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000411196051 512515678 /nfs/dbraw/zinc/51/56/78/512515678.db2.gz WVNFJHUAHITJPK-NSHDSACASA-N 1 2 361.339 2.590 20 30 FFEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000367543037 512550352 /nfs/dbraw/zinc/55/03/52/512550352.db2.gz WULAGFUYAIPZHH-IBGZPJMESA-N 1 2 353.470 2.950 20 30 FFEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000367543037 512550356 /nfs/dbraw/zinc/55/03/56/512550356.db2.gz WULAGFUYAIPZHH-IBGZPJMESA-N 1 2 353.470 2.950 20 30 FFEDLO Cc1cc(-c2noc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)n2)ccc1F ZINC000371835190 512596368 /nfs/dbraw/zinc/59/63/68/512596368.db2.gz RAJOEESJPZYNOA-YJYMSZOUSA-N 1 2 373.432 2.889 20 30 FFEDLO N#CC1(CC[N@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000411424594 512629514 /nfs/dbraw/zinc/62/95/14/512629514.db2.gz WOEAPOCSCQEIPJ-IRXDYDNUSA-N 1 2 354.516 2.519 20 30 FFEDLO N#CC1(CC[N@@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000411424594 512629517 /nfs/dbraw/zinc/62/95/17/512629517.db2.gz WOEAPOCSCQEIPJ-IRXDYDNUSA-N 1 2 354.516 2.519 20 30 FFEDLO N#CC1(CC[N@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000411424597 512629574 /nfs/dbraw/zinc/62/95/74/512629574.db2.gz WOEAPOCSCQEIPJ-SJORKVTESA-N 1 2 354.516 2.519 20 30 FFEDLO N#CC1(CC[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000411424597 512629578 /nfs/dbraw/zinc/62/95/78/512629578.db2.gz WOEAPOCSCQEIPJ-SJORKVTESA-N 1 2 354.516 2.519 20 30 FFEDLO CC[C@H](C)[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)OC ZINC000411519705 512672373 /nfs/dbraw/zinc/67/23/73/512672373.db2.gz NPCSGDBBMLDWFV-ZBEGNZNMSA-N 1 2 351.834 2.718 20 30 FFEDLO CC[C@@H](C)[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)C(=O)OC ZINC000411525161 512674069 /nfs/dbraw/zinc/67/40/69/512674069.db2.gz BZIAMKOLUSZYQM-BZNIZROVSA-N 1 2 363.483 2.614 20 30 FFEDLO COc1ccccc1[C@H]1CN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC[NH2+]1 ZINC000374336484 512775959 /nfs/dbraw/zinc/77/59/59/512775959.db2.gz GAULFLLMVXOKFT-HNAYVOBHSA-N 1 2 365.433 2.507 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000368058155 512784609 /nfs/dbraw/zinc/78/46/09/512784609.db2.gz WITDUTHRHKHTDO-NRFANRHFSA-N 1 2 359.429 2.858 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3cc(=O)oc4cc(O)ccc34)CCO2)c1 ZINC000372343131 512825247 /nfs/dbraw/zinc/82/52/47/512825247.db2.gz BDCZBMDZKMTNCY-HXUWFJFHSA-N 1 2 362.385 2.944 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3cc(=O)oc4cc(O)ccc34)CCO2)c1 ZINC000372343131 512825251 /nfs/dbraw/zinc/82/52/51/512825251.db2.gz BDCZBMDZKMTNCY-HXUWFJFHSA-N 1 2 362.385 2.944 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000370294434 512863750 /nfs/dbraw/zinc/86/37/50/512863750.db2.gz PAQDTGOABPWDLN-MRXNPFEDSA-N 1 2 359.433 2.838 20 30 FFEDLO C[N@H+](CCCOCc1ccccc1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000384306503 512882744 /nfs/dbraw/zinc/88/27/44/512882744.db2.gz FELDBWHQWZMKRD-UHFFFAOYSA-N 1 2 372.490 2.871 20 30 FFEDLO C[N@@H+](CCCOCc1ccccc1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000384306503 512882748 /nfs/dbraw/zinc/88/27/48/512882748.db2.gz FELDBWHQWZMKRD-UHFFFAOYSA-N 1 2 372.490 2.871 20 30 FFEDLO N#C[C@@H](C1CCCCC1)n1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000368396179 512928910 /nfs/dbraw/zinc/92/89/10/512928910.db2.gz ACAFGADQDUSHAR-OALUTQOASA-N 1 2 366.469 2.892 20 30 FFEDLO N#C[C@@H](C1CCCCC1)n1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000368396179 512928916 /nfs/dbraw/zinc/92/89/16/512928916.db2.gz ACAFGADQDUSHAR-OALUTQOASA-N 1 2 366.469 2.892 20 30 FFEDLO CCOC(=O)c1c(NC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c(C#N)cn1CC ZINC000421183724 513140902 /nfs/dbraw/zinc/14/09/02/513140902.db2.gz OGRCXXZYWBDZKH-YPMHNXCESA-N 1 2 370.413 2.580 20 30 FFEDLO Cc1cc(C#N)ccc1C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000440103630 513247298 /nfs/dbraw/zinc/24/72/98/513247298.db2.gz KDLMJFREAKYLED-UHFFFAOYSA-N 1 2 361.405 2.832 20 30 FFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434457506 513331866 /nfs/dbraw/zinc/33/18/66/513331866.db2.gz AOJXKDLLPLTTGN-UHFFFAOYSA-N 1 2 369.918 2.964 20 30 FFEDLO N#CCCn1cc(C[N@@H+]2CCc3ncsc3C2)c(-c2ccncc2)n1 ZINC000434982835 513482653 /nfs/dbraw/zinc/48/26/53/513482653.db2.gz NQYMHLRIKKJQPS-UHFFFAOYSA-N 1 2 350.451 2.874 20 30 FFEDLO N#CCCn1cc(C[N@H+]2CCc3ncsc3C2)c(-c2ccncc2)n1 ZINC000434982835 513482661 /nfs/dbraw/zinc/48/26/61/513482661.db2.gz NQYMHLRIKKJQPS-UHFFFAOYSA-N 1 2 350.451 2.874 20 30 FFEDLO O=C(NCC#Cc1ccccc1)NCc1[nH+]ccn1CCc1ccccc1 ZINC000435383449 513570878 /nfs/dbraw/zinc/57/08/78/513570878.db2.gz GRSKNYJVOGNLCC-UHFFFAOYSA-N 1 2 358.445 2.977 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCNC(=O)C[C@H]3c3ccccc3)o2)c1 ZINC000441536468 513591390 /nfs/dbraw/zinc/59/13/90/513591390.db2.gz AVNZUUOJEOMLSR-SFHVURJKSA-N 1 2 373.416 2.671 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCNC(=O)C[C@H]3c3ccccc3)o2)c1 ZINC000441536468 513591396 /nfs/dbraw/zinc/59/13/96/513591396.db2.gz AVNZUUOJEOMLSR-SFHVURJKSA-N 1 2 373.416 2.671 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425556259 513639037 /nfs/dbraw/zinc/63/90/37/513639037.db2.gz ZVNQPPOGZRPSQR-UONOGXRCSA-N 1 2 370.482 2.627 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425556259 513639046 /nfs/dbraw/zinc/63/90/46/513639046.db2.gz ZVNQPPOGZRPSQR-UONOGXRCSA-N 1 2 370.482 2.627 20 30 FFEDLO COc1ccc([C@@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)c2[nH+]ccn2C)cc1 ZINC000425606861 513659576 /nfs/dbraw/zinc/65/95/76/513659576.db2.gz FZNMXVUXTRCLRE-YSVLISHTSA-N 1 2 353.426 2.510 20 30 FFEDLO C=CCN1C(=O)N(Cc2ccc[nH+]c2N(C)C)C(=O)[C@@H]1Cc1ccccc1 ZINC000430868300 513768518 /nfs/dbraw/zinc/76/85/18/513768518.db2.gz NEKIYJUMIHIBCC-SFHVURJKSA-N 1 2 364.449 2.709 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000430914334 513780095 /nfs/dbraw/zinc/78/00/95/513780095.db2.gz JJIFONQFTMVCEF-NHCUHLMSSA-N 1 2 363.461 2.808 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000430914334 513780101 /nfs/dbraw/zinc/78/01/01/513780101.db2.gz JJIFONQFTMVCEF-NHCUHLMSSA-N 1 2 363.461 2.808 20 30 FFEDLO COc1ccc(C#N)cc1CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000436258501 513809479 /nfs/dbraw/zinc/80/94/79/513809479.db2.gz BVDUXMRTYPPAOX-IRLDBZIGSA-N 1 2 363.461 2.652 20 30 FFEDLO COc1ccc(C#N)cc1CN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000436258501 513809485 /nfs/dbraw/zinc/80/94/85/513809485.db2.gz BVDUXMRTYPPAOX-IRLDBZIGSA-N 1 2 363.461 2.652 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCC1(CC#N)CC1 ZINC000431186436 513848216 /nfs/dbraw/zinc/84/82/16/513848216.db2.gz HFYQUHDANZXWFA-GOSISDBHSA-N 1 2 370.497 2.613 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000416620913 513872000 /nfs/dbraw/zinc/87/20/00/513872000.db2.gz YOICKGOPRMXWNX-QGZVFWFLSA-N 1 2 369.490 2.594 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000416620913 513872008 /nfs/dbraw/zinc/87/20/08/513872008.db2.gz YOICKGOPRMXWNX-QGZVFWFLSA-N 1 2 369.490 2.594 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(O)(C(F)F)CC1 ZINC000426261053 513889156 /nfs/dbraw/zinc/88/91/56/513889156.db2.gz NTQUARSLRNESFI-CYBMUJFWSA-N 1 2 369.387 2.553 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000448838061 513922859 /nfs/dbraw/zinc/92/28/59/513922859.db2.gz WJWJSRYPNWBWQX-DLBZAZTESA-N 1 2 361.873 2.518 20 30 FFEDLO N#CC1(CNC(=O)C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CCC1 ZINC000419813453 513939840 /nfs/dbraw/zinc/93/98/40/513939840.db2.gz GQLCVVWJVWONEM-UHFFFAOYSA-N 1 2 365.437 2.511 20 30 FFEDLO N#CC1(CNC(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CCC1 ZINC000419820802 513941589 /nfs/dbraw/zinc/94/15/89/513941589.db2.gz SHOMXPLBHPFIHS-UHFFFAOYSA-N 1 2 350.378 2.622 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc2cc(Br)cnc21 ZINC000414126372 513981671 /nfs/dbraw/zinc/98/16/71/513981671.db2.gz OKZSIJBHAPFFQW-CQSZACIVSA-N 1 2 364.243 2.582 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc2cc(Br)cnc21 ZINC000414126372 513981675 /nfs/dbraw/zinc/98/16/75/513981675.db2.gz OKZSIJBHAPFFQW-CQSZACIVSA-N 1 2 364.243 2.582 20 30 FFEDLO C=CCC[C@H](CCC)[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000437092517 514089928 /nfs/dbraw/zinc/08/99/28/514089928.db2.gz DVOUCPDLLOFYMC-ZDUSSCGKSA-N 1 2 371.469 2.572 20 30 FFEDLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1ccc(C#N)s1 ZINC000432280898 514146112 /nfs/dbraw/zinc/14/61/12/514146112.db2.gz AYASBNPXKRVNEQ-OAHLLOKOSA-N 1 2 358.448 2.753 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cscc3C#N)c[nH+]2)C[C@@H](C)O1 ZINC000432394984 514181846 /nfs/dbraw/zinc/18/18/46/514181846.db2.gz MMOWGNMLKDVEMF-CHWSQXEVSA-N 1 2 356.451 2.558 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)cc1OC ZINC000449529787 514243414 /nfs/dbraw/zinc/24/34/14/514243414.db2.gz ZWHAYMZPPAVYRH-INIZCTEOSA-N 1 2 353.484 2.659 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@H]2CS(C)(=O)=O)cc1OC ZINC000449529787 514243419 /nfs/dbraw/zinc/24/34/19/514243419.db2.gz ZWHAYMZPPAVYRH-INIZCTEOSA-N 1 2 353.484 2.659 20 30 FFEDLO N#Cc1cscc1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000432663091 514256375 /nfs/dbraw/zinc/25/63/75/514256375.db2.gz DUFFADMLALLCDA-UHFFFAOYSA-N 1 2 361.224 2.960 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1nc2ccc(F)cc2s1 ZINC000432731887 514270319 /nfs/dbraw/zinc/27/03/19/514270319.db2.gz QUWHQKOHXTXHIW-GFCCVEGCSA-N 1 2 368.441 2.808 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1nc2ccc(F)cc2s1 ZINC000432731887 514270320 /nfs/dbraw/zinc/27/03/20/514270320.db2.gz QUWHQKOHXTXHIW-GFCCVEGCSA-N 1 2 368.441 2.808 20 30 FFEDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000449746135 514332989 /nfs/dbraw/zinc/33/29/89/514332989.db2.gz QHAAGOFDGIJKBQ-CQSZACIVSA-N 1 2 354.376 2.813 20 30 FFEDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000449746135 514332995 /nfs/dbraw/zinc/33/29/95/514332995.db2.gz QHAAGOFDGIJKBQ-CQSZACIVSA-N 1 2 354.376 2.813 20 30 FFEDLO N#Cc1cnc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(Cl)c1 ZINC000427903540 514342918 /nfs/dbraw/zinc/34/29/18/514342918.db2.gz JGWBKJFOFLAGFD-UHFFFAOYSA-N 1 2 351.797 2.781 20 30 FFEDLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000449893009 514411793 /nfs/dbraw/zinc/41/17/93/514411793.db2.gz TUIMGLSOJIVIDM-CQSZACIVSA-N 1 2 368.824 2.583 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC(C)(C)[C@@H]1c1nccn1C ZINC000453025564 514513104 /nfs/dbraw/zinc/51/31/04/514513104.db2.gz UMHTWWIWBFZEPP-HKUYNNGSSA-N 1 2 355.482 2.971 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC(C)(C)[C@@H]1c1nccn1C ZINC000453025564 514513105 /nfs/dbraw/zinc/51/31/05/514513105.db2.gz UMHTWWIWBFZEPP-HKUYNNGSSA-N 1 2 355.482 2.971 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)CN1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000453025564 514513107 /nfs/dbraw/zinc/51/31/07/514513107.db2.gz UMHTWWIWBFZEPP-HKUYNNGSSA-N 1 2 355.482 2.971 20 30 FFEDLO C=CC[C@H](CC)NC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000439376272 514540836 /nfs/dbraw/zinc/54/08/36/514540836.db2.gz JWIGCRIMUFGAKS-SFHVURJKSA-N 1 2 358.486 2.827 20 30 FFEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1c[nH+]c(C)cc1C ZINC000455562876 514594690 /nfs/dbraw/zinc/59/46/90/514594690.db2.gz SVSZLJJYVIILKO-UHFFFAOYSA-N 1 2 352.438 2.928 20 30 FFEDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCO1 ZINC000488895962 514624812 /nfs/dbraw/zinc/62/48/12/514624812.db2.gz FNXFXHZSXPIOER-KRWDZBQOSA-N 1 2 360.458 2.578 20 30 FFEDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCO1 ZINC000488895962 514624818 /nfs/dbraw/zinc/62/48/18/514624818.db2.gz FNXFXHZSXPIOER-KRWDZBQOSA-N 1 2 360.458 2.578 20 30 FFEDLO COCCn1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000475334481 514625127 /nfs/dbraw/zinc/62/51/27/514625127.db2.gz KOUBYEVFFFMZMN-IBGZPJMESA-N 1 2 373.888 2.565 20 30 FFEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000475386507 514642708 /nfs/dbraw/zinc/64/27/08/514642708.db2.gz DKQRNPWGJRBAKC-HNNXBMFYSA-N 1 2 354.454 2.878 20 30 FFEDLO C=CCOCCC[N@@H+]1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000470866527 514650052 /nfs/dbraw/zinc/65/00/52/514650052.db2.gz NAHDRQDERVMQLW-HNNXBMFYSA-N 1 2 358.360 2.651 20 30 FFEDLO C=CCOCCC[N@H+]1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000470866527 514650058 /nfs/dbraw/zinc/65/00/58/514650058.db2.gz NAHDRQDERVMQLW-HNNXBMFYSA-N 1 2 358.360 2.651 20 30 FFEDLO Cc1nc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c(Cl)cc1C#N ZINC000461718244 514703786 /nfs/dbraw/zinc/70/37/86/514703786.db2.gz MBCTWCHDODUARN-UHFFFAOYSA-N 1 2 366.856 2.885 20 30 FFEDLO CCN(CC)C(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000470998861 514711854 /nfs/dbraw/zinc/71/18/54/514711854.db2.gz YDYLALZULRYPJA-YJBOKZPZSA-N 1 2 362.905 2.779 20 30 FFEDLO C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000461737554 514712926 /nfs/dbraw/zinc/71/29/26/514712926.db2.gz PJUYEWJXLANGFY-QGZVFWFLSA-N 1 2 363.461 2.810 20 30 FFEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471011749 514716374 /nfs/dbraw/zinc/71/63/74/514716374.db2.gz ZECWFBJDMPBYCR-LJQANCHMSA-N 1 2 372.900 2.723 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccc(Br)cc1Cl ZINC000484646055 514726900 /nfs/dbraw/zinc/72/69/00/514726900.db2.gz NSJHSKQBZCYSER-UHFFFAOYSA-N 1 2 374.666 2.546 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000484646055 514726911 /nfs/dbraw/zinc/72/69/11/514726911.db2.gz NSJHSKQBZCYSER-UHFFFAOYSA-N 1 2 374.666 2.546 20 30 FFEDLO C[C@@H](C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000461787051 514737771 /nfs/dbraw/zinc/73/77/71/514737771.db2.gz RUDPDGJZKXMFHO-UTKZUKDTSA-N 1 2 363.461 2.851 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455795508 514742467 /nfs/dbraw/zinc/74/24/67/514742467.db2.gz UHKWXDUMOVLFKF-ZDUSSCGKSA-N 1 2 370.844 2.912 20 30 FFEDLO C=CCCCS(=O)(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000489189759 514744775 /nfs/dbraw/zinc/74/47/75/514744775.db2.gz RHKYFEFSUNORPD-GOSISDBHSA-N 1 2 366.527 2.505 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(OC(C)(C)C)n1 ZINC000508893221 514941571 /nfs/dbraw/zinc/94/15/71/514941571.db2.gz JKDRUDHOAGVAJV-HNNXBMFYSA-N 1 2 366.469 2.631 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(OC(C)(C)C)n1 ZINC000508893221 514941579 /nfs/dbraw/zinc/94/15/79/514941579.db2.gz JKDRUDHOAGVAJV-HNNXBMFYSA-N 1 2 366.469 2.631 20 30 FFEDLO C=C(CC)CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000458604720 514946226 /nfs/dbraw/zinc/94/62/26/514946226.db2.gz IUWZIWFJXZOULY-IAGOWNOFSA-N 1 2 351.878 2.977 20 30 FFEDLO C=C(CC)CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000458604720 514946238 /nfs/dbraw/zinc/94/62/38/514946238.db2.gz IUWZIWFJXZOULY-IAGOWNOFSA-N 1 2 351.878 2.977 20 30 FFEDLO COC(=O)c1ccccc1CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000480512010 514983743 /nfs/dbraw/zinc/98/37/43/514983743.db2.gz VRBRYADSFAKWJG-UHFFFAOYSA-N 1 2 363.461 2.705 20 30 FFEDLO C=C(CC)CNC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000454023293 515140206 /nfs/dbraw/zinc/14/02/06/515140206.db2.gz FHEUOTDESVPZIG-UHFFFAOYSA-N 1 2 350.422 2.623 20 30 FFEDLO C=CCN(C(=O)Nc1cc[nH+]cc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000504139014 515230265 /nfs/dbraw/zinc/23/02/65/515230265.db2.gz QJPAYTXAGZHHCB-OAHLLOKOSA-N 1 2 363.425 2.569 20 30 FFEDLO C=CCOc1cccc(CNc2cccc(C[N@@H+]3CCNC(=O)C3)c2)c1 ZINC000462827494 515260331 /nfs/dbraw/zinc/26/03/31/515260331.db2.gz PUHUUDKXFGMYJN-UHFFFAOYSA-N 1 2 351.450 2.795 20 30 FFEDLO C=CCOc1cccc(CNc2cccc(C[N@H+]3CCNC(=O)C3)c2)c1 ZINC000462827494 515260341 /nfs/dbraw/zinc/26/03/41/515260341.db2.gz PUHUUDKXFGMYJN-UHFFFAOYSA-N 1 2 351.450 2.795 20 30 FFEDLO CC(C)c1ccc(CCC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000499346808 515295067 /nfs/dbraw/zinc/29/50/67/515295067.db2.gz XTHMRXCDXDBNMF-UHFFFAOYSA-N 1 2 357.498 2.817 20 30 FFEDLO N#CCC[N@@H+](CCCc1c(F)cccc1Cl)CCN1CCOCC1 ZINC000472577271 515318287 /nfs/dbraw/zinc/31/82/87/515318287.db2.gz AWVBFYCMVLAUKN-UHFFFAOYSA-N 1 2 353.869 2.960 20 30 FFEDLO N#CCC[N@H+](CCCc1c(F)cccc1Cl)CCN1CCOCC1 ZINC000472577271 515318292 /nfs/dbraw/zinc/31/82/92/515318292.db2.gz AWVBFYCMVLAUKN-UHFFFAOYSA-N 1 2 353.869 2.960 20 30 FFEDLO N#CCCN(CCCc1c(F)cccc1Cl)CC[NH+]1CCOCC1 ZINC000472577271 515318299 /nfs/dbraw/zinc/31/82/99/515318299.db2.gz AWVBFYCMVLAUKN-UHFFFAOYSA-N 1 2 353.869 2.960 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCOC(C)(C)[C@H]2C)cc1 ZINC000477305514 515406563 /nfs/dbraw/zinc/40/65/63/515406563.db2.gz RVKCFOSKCFDBBP-MRXNPFEDSA-N 1 2 359.470 2.831 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCOC(C)(C)[C@H]2C)cc1 ZINC000477305514 515406571 /nfs/dbraw/zinc/40/65/71/515406571.db2.gz RVKCFOSKCFDBBP-MRXNPFEDSA-N 1 2 359.470 2.831 20 30 FFEDLO C=CCC[C@@H](CO)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000456761920 515410582 /nfs/dbraw/zinc/41/05/82/515410582.db2.gz ZGMBJTARJSVOAH-HNNXBMFYSA-N 1 2 353.466 2.670 20 30 FFEDLO C=CCC[C@@H](CO)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000456761920 515410590 /nfs/dbraw/zinc/41/05/90/515410590.db2.gz ZGMBJTARJSVOAH-HNNXBMFYSA-N 1 2 353.466 2.670 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](CCOC)Cc2cc(Br)cs2)C1=O ZINC000499736045 515432845 /nfs/dbraw/zinc/43/28/45/515432845.db2.gz SHXZPDSAUQTCET-CQSZACIVSA-N 1 2 373.316 2.746 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](CCOC)Cc2cc(Br)cs2)C1=O ZINC000499736045 515432851 /nfs/dbraw/zinc/43/28/51/515432851.db2.gz SHXZPDSAUQTCET-CQSZACIVSA-N 1 2 373.316 2.746 20 30 FFEDLO N#CCCN(CC1CC1)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000505164837 515461041 /nfs/dbraw/zinc/46/10/41/515461041.db2.gz SCCMSRGBBXBISK-UHFFFAOYSA-N 1 2 365.437 2.678 20 30 FFEDLO C[C@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)C(=O)NC1(C#N)CCCCC1 ZINC000499937348 515524060 /nfs/dbraw/zinc/52/40/60/515524060.db2.gz GELYGPKTLXRINL-SWLSCSKDSA-N 1 2 367.852 2.833 20 30 FFEDLO C=CCC[C@@H](CO)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000454495402 515530805 /nfs/dbraw/zinc/53/08/05/515530805.db2.gz BHWIZIXTJZSPIK-JZXOWHBKSA-N 1 2 361.486 2.744 20 30 FFEDLO C=CCC[C@@H](CO)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000454495402 515530815 /nfs/dbraw/zinc/53/08/15/515530815.db2.gz BHWIZIXTJZSPIK-JZXOWHBKSA-N 1 2 361.486 2.744 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCCN(c3ccccc3Cl)C2=O)C1=O ZINC000499988459 515547536 /nfs/dbraw/zinc/54/75/36/515547536.db2.gz PLFFLDXRHDXSNP-IRXDYDNUSA-N 1 2 361.873 2.554 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(c3ccccc3Cl)C2=O)C1=O ZINC000499988459 515547545 /nfs/dbraw/zinc/54/75/45/515547545.db2.gz PLFFLDXRHDXSNP-IRXDYDNUSA-N 1 2 361.873 2.554 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cn3cc(Cl)cc(Cl)c3n2)C1=O ZINC000499985960 515548225 /nfs/dbraw/zinc/54/82/25/515548225.db2.gz HFCYTZMYPZBKNK-AWEZNQCLSA-N 1 2 353.253 2.860 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cn3cc(Cl)cc(Cl)c3n2)C1=O ZINC000499985960 515548234 /nfs/dbraw/zinc/54/82/34/515548234.db2.gz HFCYTZMYPZBKNK-AWEZNQCLSA-N 1 2 353.253 2.860 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nc3cc(Br)ccc3[nH]2)C1=O ZINC000500021890 515561920 /nfs/dbraw/zinc/56/19/20/515561920.db2.gz YXMHOYZUOPKBQQ-AWEZNQCLSA-N 1 2 363.259 2.544 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nc3cc(Br)ccc3[nH]2)C1=O ZINC000500021890 515561928 /nfs/dbraw/zinc/56/19/28/515561928.db2.gz YXMHOYZUOPKBQQ-AWEZNQCLSA-N 1 2 363.259 2.544 20 30 FFEDLO Cc1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)nn1-c1cccc(C#N)c1 ZINC000505742231 515653599 /nfs/dbraw/zinc/65/35/99/515653599.db2.gz PJJZVRNXGCSGKI-UHFFFAOYSA-N 1 2 374.448 2.558 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000459590764 515676784 /nfs/dbraw/zinc/67/67/84/515676784.db2.gz SYDMYFZAGFFJST-IBGZPJMESA-N 1 2 361.442 2.760 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000459590764 515676796 /nfs/dbraw/zinc/67/67/96/515676796.db2.gz SYDMYFZAGFFJST-IBGZPJMESA-N 1 2 361.442 2.760 20 30 FFEDLO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)c1 ZINC000510889325 515705640 /nfs/dbraw/zinc/70/56/40/515705640.db2.gz VUXSOSKCTHZOPI-HNNXBMFYSA-N 1 2 374.460 2.823 20 30 FFEDLO CCOc1nc(C)ccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000478274771 515762056 /nfs/dbraw/zinc/76/20/56/515762056.db2.gz BXWUGDOHPKIFKY-UHFFFAOYSA-N 1 2 364.449 2.618 20 30 FFEDLO C=C[C@H]1CCCCN1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000494220738 515771754 /nfs/dbraw/zinc/77/17/54/515771754.db2.gz RXMUFJAKLNSTOY-JZXOWHBKSA-N 1 2 358.486 2.945 20 30 FFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000494230578 515777688 /nfs/dbraw/zinc/77/76/88/515777688.db2.gz LEHKDTDVNZAXIN-FQEVSTJZSA-N 1 2 370.497 2.589 20 30 FFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000494230578 515777698 /nfs/dbraw/zinc/77/76/98/515777698.db2.gz LEHKDTDVNZAXIN-FQEVSTJZSA-N 1 2 370.497 2.589 20 30 FFEDLO C[S@@](=O)c1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000506101160 515780209 /nfs/dbraw/zinc/78/02/09/515780209.db2.gz NVYHZDLLPXLRST-RUZDIDTESA-N 1 2 353.491 2.613 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459803993 515818066 /nfs/dbraw/zinc/81/80/66/515818066.db2.gz ZUGQGCQGDMQNAQ-KGLIPLIRSA-N 1 2 357.483 2.961 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000478795093 515966318 /nfs/dbraw/zinc/96/63/18/515966318.db2.gz KJEVMOLFXRMDLT-UHFFFAOYSA-N 1 2 366.440 2.721 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@@H](CO)C3)o2)c1 ZINC000511669881 515992587 /nfs/dbraw/zinc/99/25/87/515992587.db2.gz YQQRWEPXTKLKEI-KGLIPLIRSA-N 1 2 366.343 2.601 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@H](C(F)(F)F)[C@@H](CO)C3)o2)c1 ZINC000511669881 515992598 /nfs/dbraw/zinc/99/25/98/515992598.db2.gz YQQRWEPXTKLKEI-KGLIPLIRSA-N 1 2 366.343 2.601 20 30 FFEDLO COc1cc(OC)cc([C@H](Nc2ccc(C#N)c(C)n2)c2[nH+]ccn2C)c1 ZINC000487945990 516045170 /nfs/dbraw/zinc/04/51/70/516045170.db2.gz NMLRHGVOKGLYRS-IBGZPJMESA-N 1 2 363.421 2.636 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CCc2c([nH+]cn2-c2ccc(C)cc2)C1 ZINC000487960884 516052654 /nfs/dbraw/zinc/05/26/54/516052654.db2.gz VFSQRRSGBPMVHT-KRWDZBQOSA-N 1 2 365.481 2.547 20 30 FFEDLO CC[C@@H](C(=O)OC)N1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000511897614 516071417 /nfs/dbraw/zinc/07/14/17/516071417.db2.gz UKLRJAIEWCLHJL-KRWDZBQOSA-N 1 2 368.399 2.626 20 30 FFEDLO C=CCOc1ccccc1C[NH+]1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000507220845 516129940 /nfs/dbraw/zinc/12/99/40/516129940.db2.gz ALEWILOPDOFSLG-LJQANCHMSA-N 1 2 371.525 2.770 20 30 FFEDLO C=CCOc1ccccc1CN1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000507220845 516129947 /nfs/dbraw/zinc/12/99/47/516129947.db2.gz ALEWILOPDOFSLG-LJQANCHMSA-N 1 2 371.525 2.770 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000460593959 516198465 /nfs/dbraw/zinc/19/84/65/516198465.db2.gz CUCJVVMWNXVTCJ-LJQANCHMSA-N 1 2 364.445 2.790 20 30 FFEDLO N#Cc1ccc(OC2C[NH+](C[C@@H](O)COc3ccc(Cl)cc3)C2)cc1 ZINC000460596886 516199096 /nfs/dbraw/zinc/19/90/96/516199096.db2.gz LIHPJRMHGQPTCR-MRXNPFEDSA-N 1 2 358.825 2.715 20 30 FFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000561007487 516333187 /nfs/dbraw/zinc/33/31/87/516333187.db2.gz HTIPLWQOUUNJDQ-ROUUACIJSA-N 1 2 373.416 2.571 20 30 FFEDLO Cc1ccc([C@@H](CNC(=O)N2CCC(C)(C#N)CC2)[NH+]2CCOCC2)cc1 ZINC000543744309 516404895 /nfs/dbraw/zinc/40/48/95/516404895.db2.gz WOQUYVRSPBIRSD-LJQANCHMSA-N 1 2 370.497 2.704 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000540043902 516416879 /nfs/dbraw/zinc/41/68/79/516416879.db2.gz KAPMFPZETLWZDB-OAQYLSRUSA-N 1 2 369.465 2.601 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000540043902 516416886 /nfs/dbraw/zinc/41/68/86/516416886.db2.gz KAPMFPZETLWZDB-OAQYLSRUSA-N 1 2 369.465 2.601 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000561198963 516446197 /nfs/dbraw/zinc/44/61/97/516446197.db2.gz DMNRJJJBLWTSAJ-UHFFFAOYSA-N 1 2 368.250 2.708 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000561198963 516446204 /nfs/dbraw/zinc/44/62/04/516446204.db2.gz DMNRJJJBLWTSAJ-UHFFFAOYSA-N 1 2 368.250 2.708 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(Br)c(F)c2F)C1=O ZINC000528489426 516476021 /nfs/dbraw/zinc/47/60/21/516476021.db2.gz BRCJSGABAIQTGX-LBPRGKRZSA-N 1 2 359.214 2.946 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(Br)c(F)c2F)C1=O ZINC000528489426 516476029 /nfs/dbraw/zinc/47/60/29/516476029.db2.gz BRCJSGABAIQTGX-LBPRGKRZSA-N 1 2 359.214 2.946 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528761646 516675861 /nfs/dbraw/zinc/67/58/61/516675861.db2.gz JERQZIICWKRUGJ-IIBYNOLFSA-N 1 2 367.497 2.733 20 30 FFEDLO N#Cc1ccc(NC(=O)C[NH+]2CCN(c3cncc4ccccc43)CC2)cc1 ZINC000555054612 516758852 /nfs/dbraw/zinc/75/88/52/516758852.db2.gz QLERVSINDFXVEO-UHFFFAOYSA-N 1 2 371.444 2.867 20 30 FFEDLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H](c2ccco2)C1 ZINC000561780018 516769305 /nfs/dbraw/zinc/76/93/05/516769305.db2.gz YEMHNDPWCJXOQX-GDBMZVCRSA-N 1 2 359.451 2.793 20 30 FFEDLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H](c2ccco2)C1 ZINC000561780018 516769308 /nfs/dbraw/zinc/76/93/08/516769308.db2.gz YEMHNDPWCJXOQX-GDBMZVCRSA-N 1 2 359.451 2.793 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C#N)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000528899254 516782199 /nfs/dbraw/zinc/78/21/99/516782199.db2.gz HTSNIPBMALYNFA-PKOBYXMFSA-N 1 2 372.831 2.850 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)Cc2ccc(C#N)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000528899254 516782213 /nfs/dbraw/zinc/78/22/13/516782213.db2.gz HTSNIPBMALYNFA-PKOBYXMFSA-N 1 2 372.831 2.850 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(C#N)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000528899248 516782762 /nfs/dbraw/zinc/78/27/62/516782762.db2.gz HTSNIPBMALYNFA-IEBWSBKVSA-N 1 2 372.831 2.850 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C#N)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000528899248 516782768 /nfs/dbraw/zinc/78/27/68/516782768.db2.gz HTSNIPBMALYNFA-IEBWSBKVSA-N 1 2 372.831 2.850 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000532101633 516800695 /nfs/dbraw/zinc/80/06/95/516800695.db2.gz KMJRSEKYLCWLKL-OAHLLOKOSA-N 1 2 362.905 2.779 20 30 FFEDLO CCc1[nH+]c2cc(CNS(=O)(=O)CC3(C#N)CC3)ccc2n1C1CC1 ZINC000519003486 516850906 /nfs/dbraw/zinc/85/09/06/516850906.db2.gz RVPWCKFBTYFYAS-UHFFFAOYSA-N 1 2 358.467 2.657 20 30 FFEDLO N#CCc1cc[nH+]c(NCc2ncc(I)s2)c1 ZINC000551964565 516992667 /nfs/dbraw/zinc/99/26/67/516992667.db2.gz DALMQFISEPNIDL-UHFFFAOYSA-N 1 2 356.192 2.821 20 30 FFEDLO Fc1ccc(C#CCN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000532588035 517048270 /nfs/dbraw/zinc/04/82/70/517048270.db2.gz GMLICDJTUWULPN-UHFFFAOYSA-N 1 2 366.436 2.766 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000562363722 517056472 /nfs/dbraw/zinc/05/64/72/517056472.db2.gz QROVEGHIOWQZSR-KRWDZBQOSA-N 1 2 374.448 2.827 20 30 FFEDLO Cc1cc([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)ccc1-n1cnnn1 ZINC000552066054 517058820 /nfs/dbraw/zinc/05/88/20/517058820.db2.gz XXPZCVAFGXBBAQ-UHFFFAOYSA-N 1 2 359.437 2.923 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2c2ccc(Br)cn2)C1=O ZINC000514802225 517064522 /nfs/dbraw/zinc/06/45/22/517064522.db2.gz UKXFURMZFKQDDL-LSDHHAIUSA-N 1 2 350.260 2.768 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2ccc(Br)cn2)C1=O ZINC000514802225 517064532 /nfs/dbraw/zinc/06/45/32/517064532.db2.gz UKXFURMZFKQDDL-LSDHHAIUSA-N 1 2 350.260 2.768 20 30 FFEDLO COc1ccc2nc(C[NH+]3CCN(c4cnccc4C#N)CC3)sc2c1 ZINC000562379588 517067121 /nfs/dbraw/zinc/06/71/21/517067121.db2.gz XCNVOMYMHZDSIJ-UHFFFAOYSA-N 1 2 365.462 2.894 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000555854482 517155856 /nfs/dbraw/zinc/15/58/56/517155856.db2.gz ZPAMRWMZIANYBL-MRXNPFEDSA-N 1 2 358.486 2.549 20 30 FFEDLO C=CCn1c(-c2ncccc2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000548853967 517259077 /nfs/dbraw/zinc/25/90/77/517259077.db2.gz AXLQBFUUUUJSCS-UHFFFAOYSA-N 1 2 361.453 2.556 20 30 FFEDLO Cc1cc(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)n(CCC#N)n1 ZINC000525993959 517280161 /nfs/dbraw/zinc/28/01/61/517280161.db2.gz AVZSDKIXWAADPZ-UHFFFAOYSA-N 1 2 358.352 2.680 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)NCC#Cc1cccc(F)c1)C2 ZINC000548892261 517281879 /nfs/dbraw/zinc/28/18/79/517281879.db2.gz BSJSIEBUDPNKLO-KRWDZBQOSA-N 1 2 368.456 2.985 20 30 FFEDLO C=CCn1c(Cc2ccsc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000548913260 517296828 /nfs/dbraw/zinc/29/68/28/517296828.db2.gz ZIRVZJYXCVMHLY-UHFFFAOYSA-N 1 2 366.494 2.838 20 30 FFEDLO N#Cc1cccnc1OC1CCC(NC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000526099541 517344292 /nfs/dbraw/zinc/34/42/92/517344292.db2.gz BYYBSYHGKAONTD-UHFFFAOYSA-N 1 2 361.405 2.721 20 30 FFEDLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2ncncc2C#N)CC1 ZINC000515469165 517366230 /nfs/dbraw/zinc/36/62/30/517366230.db2.gz GHKJTQLPJWUGBK-ZDUSSCGKSA-N 1 2 372.270 2.994 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)c(OC)c2)CC1 ZINC000549114469 517405913 /nfs/dbraw/zinc/40/59/13/517405913.db2.gz XSWSUWUOPFRUHP-INIZCTEOSA-N 1 2 363.477 2.769 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000515655739 517439544 /nfs/dbraw/zinc/43/95/44/517439544.db2.gz OEZMLJJWUDYCEW-OAQYLSRUSA-N 1 2 362.433 2.711 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(CC(F)(F)F)CC2)cc1 ZINC000556507440 517468579 /nfs/dbraw/zinc/46/85/79/517468579.db2.gz STAPVJCBCUFMIF-UHFFFAOYSA-N 1 2 360.401 2.996 20 30 FFEDLO C=CC[C@H](CO)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000553261438 517608555 /nfs/dbraw/zinc/60/85/55/517608555.db2.gz BQIWBJJCYYRLBF-XJKSGUPXSA-N 1 2 362.861 2.647 20 30 FFEDLO CC[C@H](NCc1nc(C#N)cs1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000516217261 517621275 /nfs/dbraw/zinc/62/12/75/517621275.db2.gz FIWUCNMSNQGQTE-ZWKOTPCHSA-N 1 2 356.495 2.784 20 30 FFEDLO CC[C@H](NCc1nc(C#N)cs1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000516217261 517621282 /nfs/dbraw/zinc/62/12/82/517621282.db2.gz FIWUCNMSNQGQTE-ZWKOTPCHSA-N 1 2 356.495 2.784 20 30 FFEDLO CN(C(=O)C(=O)Nc1sccc1C#N)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000560311338 517690349 /nfs/dbraw/zinc/69/03/49/517690349.db2.gz CWLDGLYYYCFZHL-CQSZACIVSA-N 1 2 365.418 2.529 20 30 FFEDLO COc1cccc(OCC[NH+]2CCN(c3snc(C)c3C#N)CC2)c1 ZINC000553482391 517738519 /nfs/dbraw/zinc/73/85/19/517738519.db2.gz BSALZAWDFHFKFA-UHFFFAOYSA-N 1 2 358.467 2.533 20 30 FFEDLO N#Cc1cc(C(=O)NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)c[nH]1 ZINC000538710688 517739121 /nfs/dbraw/zinc/73/91/21/517739121.db2.gz DORBKTMWRWNCCL-UHFFFAOYSA-N 1 2 357.417 2.774 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc(-c4ccccc4)on3)CC2)c1C#N ZINC000560403868 517772989 /nfs/dbraw/zinc/77/29/89/517772989.db2.gz GXEBSLDNEUCYOH-UHFFFAOYSA-N 1 2 362.437 2.577 20 30 FFEDLO C=CCCS(=O)(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542984311 517853544 /nfs/dbraw/zinc/85/35/44/517853544.db2.gz KYZRIXWYRWJCNF-GOEBONIOSA-N 1 2 362.417 2.735 20 30 FFEDLO C=CCCS(=O)(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542984311 517853548 /nfs/dbraw/zinc/85/35/48/517853548.db2.gz KYZRIXWYRWJCNF-GOEBONIOSA-N 1 2 362.417 2.735 20 30 FFEDLO Cc1c[nH+]c(C)nc1N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000563420268 517894665 /nfs/dbraw/zinc/89/46/65/517894665.db2.gz CVSIICWSUWHRRZ-UHFFFAOYSA-N 1 2 350.382 2.540 20 30 FFEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000563427907 517898353 /nfs/dbraw/zinc/89/83/53/517898353.db2.gz VIGISYFRMXZFJP-AWEZNQCLSA-N 1 2 362.424 2.629 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCN(c3cccc(OC)c3)CC2)c1C#N ZINC000534486274 517911342 /nfs/dbraw/zinc/91/13/42/517911342.db2.gz AIWHAEQFLXRSLP-UHFFFAOYSA-N 1 2 365.433 2.676 20 30 FFEDLO COC(=O)c1oc([C@@H](C)[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1C ZINC000546917887 517919785 /nfs/dbraw/zinc/91/97/85/517919785.db2.gz AHXKYIVMRXQBGB-CQSZACIVSA-N 1 2 354.410 2.525 20 30 FFEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000546919360 517921459 /nfs/dbraw/zinc/92/14/59/517921459.db2.gz TZGDGRUKZPCETM-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000563546439 517975493 /nfs/dbraw/zinc/97/54/93/517975493.db2.gz BDOBCTKMJWBQQO-LBPRGKRZSA-N 1 2 366.347 2.506 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000550326434 517996973 /nfs/dbraw/zinc/99/69/73/517996973.db2.gz AJKJLYZGMBSYBC-ZIAGYGMSSA-N 1 2 357.479 2.920 20 30 FFEDLO CCCCNc1cc(N2CCCN(c3ccccc3C#N)CC2)nc(N)[nH+]1 ZINC000557495256 518037822 /nfs/dbraw/zinc/03/78/22/518037822.db2.gz VJMHHPUXLGSZHI-UHFFFAOYSA-N 1 2 365.485 2.690 20 30 FFEDLO CCCCNc1cc(N2CCCN(c3ccccc3C#N)CC2)[nH+]c(N)n1 ZINC000557495256 518037830 /nfs/dbraw/zinc/03/78/30/518037830.db2.gz VJMHHPUXLGSZHI-UHFFFAOYSA-N 1 2 365.485 2.690 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cc2ccc(C#N)nc2)C[C@H](C)O1 ZINC000528035132 518057331 /nfs/dbraw/zinc/05/73/31/518057331.db2.gz CCLFXRUXHWGZCP-IYBDPMFKSA-N 1 2 364.449 2.744 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cc2ccc(C#N)nc2)C[C@H](C)O1 ZINC000528035132 518057339 /nfs/dbraw/zinc/05/73/39/518057339.db2.gz CCLFXRUXHWGZCP-IYBDPMFKSA-N 1 2 364.449 2.744 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000557599407 518098160 /nfs/dbraw/zinc/09/81/60/518098160.db2.gz NHEPYFHADJZCCL-UHFFFAOYSA-N 1 2 356.413 2.654 20 30 FFEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc(C(F)(F)F)cc1C#N ZINC000528128852 518108622 /nfs/dbraw/zinc/10/86/22/518108622.db2.gz FHXCQPNSCRNTGU-QGZVFWFLSA-N 1 2 369.387 2.605 20 30 FFEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc(C(F)(F)F)cc1C#N ZINC000528128852 518108627 /nfs/dbraw/zinc/10/86/27/518108627.db2.gz FHXCQPNSCRNTGU-QGZVFWFLSA-N 1 2 369.387 2.605 20 30 FFEDLO COC(=O)c1cccc(C[NH2+][C@@H](c2nnc3ccccn32)C(C)C)c1C#N ZINC000543474836 518112013 /nfs/dbraw/zinc/11/20/13/518112013.db2.gz RVOAPBXLGVQLAA-GOSISDBHSA-N 1 2 363.421 2.874 20 30 FFEDLO C=C(C)C[NH+]1CCC(NC(=O)N=c2nc(-c3ccccc3)[nH]s2)CC1 ZINC000531094102 518134146 /nfs/dbraw/zinc/13/41/46/518134146.db2.gz BAIYLFDHFAIOIE-UHFFFAOYSA-N 1 2 357.483 2.789 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)c1 ZINC000543557318 518136772 /nfs/dbraw/zinc/13/67/72/518136772.db2.gz BRMWGOIUSLFYPC-OAQYLSRUSA-N 1 2 363.461 2.508 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCO[C@H](CCc3ccccc3)C2)c1 ZINC000543557318 518136776 /nfs/dbraw/zinc/13/67/76/518136776.db2.gz BRMWGOIUSLFYPC-OAQYLSRUSA-N 1 2 363.461 2.508 20 30 FFEDLO C=C(C)[C@@H](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1)OCC ZINC000535162999 518160211 /nfs/dbraw/zinc/16/02/11/518160211.db2.gz SIBOQDCFRACDEP-DLBZAZTESA-N 1 2 365.543 2.524 20 30 FFEDLO C=C(C)[C@@H](CC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1)OCC ZINC000535163000 518160542 /nfs/dbraw/zinc/16/05/42/518160542.db2.gz SIBOQDCFRACDEP-IAGOWNOFSA-N 1 2 365.543 2.524 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)nc1 ZINC000575426953 518216966 /nfs/dbraw/zinc/21/69/66/518216966.db2.gz FFBZPPPZTIHYET-LJQANCHMSA-N 1 2 351.841 2.989 20 30 FFEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000566915192 518263459 /nfs/dbraw/zinc/26/34/59/518263459.db2.gz DFJZANDWBMINIG-ZJWNCGCPSA-N 1 2 353.451 2.531 20 30 FFEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000566915192 518263469 /nfs/dbraw/zinc/26/34/69/518263469.db2.gz DFJZANDWBMINIG-ZJWNCGCPSA-N 1 2 353.451 2.531 20 30 FFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000572646526 518291623 /nfs/dbraw/zinc/29/16/23/518291623.db2.gz ZGVPYBONBDFGRU-OAHLLOKOSA-N 1 2 352.891 2.953 20 30 FFEDLO CCN(CCOC)c1cccc(CN2CCC[C@@]3(CCCCO3)[C@H]2C#N)[nH+]1 ZINC000581457908 518293971 /nfs/dbraw/zinc/29/39/71/518293971.db2.gz RUDRYKQRWCSEQO-CTNGQTDRSA-N 1 2 372.513 2.982 20 30 FFEDLO C[C@H](c1nnnn1-c1ccccc1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000564157325 518329079 /nfs/dbraw/zinc/32/90/79/518329079.db2.gz OTEIXTUBGFDRJE-MRXNPFEDSA-N 1 2 362.437 2.744 20 30 FFEDLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000564157325 518329085 /nfs/dbraw/zinc/32/90/85/518329085.db2.gz OTEIXTUBGFDRJE-MRXNPFEDSA-N 1 2 362.437 2.744 20 30 FFEDLO C=C[C@H]1CCCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000567091085 518346149 /nfs/dbraw/zinc/34/61/49/518346149.db2.gz IFTUCRYDUGQJKV-ROUUACIJSA-N 1 2 358.486 2.584 20 30 FFEDLO C=C[C@H]1CCCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000567091085 518346151 /nfs/dbraw/zinc/34/61/51/518346151.db2.gz IFTUCRYDUGQJKV-ROUUACIJSA-N 1 2 358.486 2.584 20 30 FFEDLO Cc1nsc(N2CC[NH+](CCC(=O)c3ccc(F)cc3)CC2)c1C#N ZINC000584498859 518369107 /nfs/dbraw/zinc/36/91/07/518369107.db2.gz JCIQDDUYPHTOQJ-UHFFFAOYSA-N 1 2 358.442 2.857 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000578862097 518410077 /nfs/dbraw/zinc/41/00/77/518410077.db2.gz JQCDEVLIMYCMNS-BHYGNILZSA-N 1 2 358.417 2.539 20 30 FFEDLO N#Cc1ccc(NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1F ZINC000564429161 518449678 /nfs/dbraw/zinc/44/96/78/518449678.db2.gz MBFGMHHCAJWZRA-IBGZPJMESA-N 1 2 368.412 2.892 20 30 FFEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3cccnc3C#N)CC2)cs1 ZINC000576166677 518461294 /nfs/dbraw/zinc/46/12/94/518461294.db2.gz YVVMBUCBRNPBIB-AWEZNQCLSA-N 1 2 357.483 2.829 20 30 FFEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3cccnc3C#N)CC2)cs1 ZINC000576166677 518461298 /nfs/dbraw/zinc/46/12/98/518461298.db2.gz YVVMBUCBRNPBIB-AWEZNQCLSA-N 1 2 357.483 2.829 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COC(c1ccccc1)c1ccccc1 ZINC000573005430 518461840 /nfs/dbraw/zinc/46/18/40/518461840.db2.gz PHZVKAVJQLMZSJ-NRFANRHFSA-N 1 2 351.450 2.753 20 30 FFEDLO Cc1nsc(N2CCN(Cc3c[nH+]c4c(C)cccn34)CC2)c1C#N ZINC000564533131 518489869 /nfs/dbraw/zinc/48/98/69/518489869.db2.gz POQXFTXKQLJRRN-UHFFFAOYSA-N 1 2 352.467 2.602 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@H](n4cc(Cl)cn4)C3)o2)c1 ZINC000584868031 518514954 /nfs/dbraw/zinc/51/49/54/518514954.db2.gz QBUKFCQYCAWPET-HNNXBMFYSA-N 1 2 354.801 2.905 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@H](n4cc(Cl)cn4)C3)o2)c1 ZINC000584868031 518514962 /nfs/dbraw/zinc/51/49/62/518514962.db2.gz QBUKFCQYCAWPET-HNNXBMFYSA-N 1 2 354.801 2.905 20 30 FFEDLO CC[C@H](c1cccc(OC)c1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000564607295 518523808 /nfs/dbraw/zinc/52/38/08/518523808.db2.gz IFKCDXAFXZHOJV-GOSISDBHSA-N 1 2 373.478 2.819 20 30 FFEDLO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000564607295 518523811 /nfs/dbraw/zinc/52/38/11/518523811.db2.gz IFKCDXAFXZHOJV-GOSISDBHSA-N 1 2 373.478 2.819 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(N2CCCCC2)c2ncccc12 ZINC000570274231 518527375 /nfs/dbraw/zinc/52/73/75/518527375.db2.gz ICAJSYMNMDCNSK-KRWDZBQOSA-N 1 2 367.497 2.843 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(N2CCCCC2)c2ncccc12 ZINC000570274231 518527380 /nfs/dbraw/zinc/52/73/80/518527380.db2.gz ICAJSYMNMDCNSK-KRWDZBQOSA-N 1 2 367.497 2.843 20 30 FFEDLO CCO[C@@H](C)c1nc(CN2CC[NH+](Cc3ccc(C#N)cn3)CC2)cs1 ZINC000567482895 518548787 /nfs/dbraw/zinc/54/87/87/518548787.db2.gz AUKCULZZCMFRTC-HNNXBMFYSA-N 1 2 371.510 2.825 20 30 FFEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)C[C@@H](C)O2 ZINC000564790471 518616536 /nfs/dbraw/zinc/61/65/36/518616536.db2.gz HGTDFOQPLJKJSZ-STXHMFSFSA-N 1 2 368.437 2.767 20 30 FFEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)C[C@@H](C)O2 ZINC000564790471 518616542 /nfs/dbraw/zinc/61/65/42/518616542.db2.gz HGTDFOQPLJKJSZ-STXHMFSFSA-N 1 2 368.437 2.767 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2nc(N3CCCC3)sc2c1 ZINC000582176823 518624143 /nfs/dbraw/zinc/62/41/43/518624143.db2.gz NDVJMGZDEMATEZ-HNNXBMFYSA-N 1 2 359.499 2.515 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2nc(N3CCCC3)sc2c1 ZINC000582176823 518624151 /nfs/dbraw/zinc/62/41/51/518624151.db2.gz NDVJMGZDEMATEZ-HNNXBMFYSA-N 1 2 359.499 2.515 20 30 FFEDLO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1nc(C(C)(C)C)no1 ZINC000573407420 518648100 /nfs/dbraw/zinc/64/81/00/518648100.db2.gz NABLYLZLKRMTNX-DZGCQCFKSA-N 1 2 358.442 2.524 20 30 FFEDLO N#Cc1cnc(C[NH+]2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)nc1 ZINC000579453758 518687495 /nfs/dbraw/zinc/68/74/95/518687495.db2.gz PHURGRTUGZGUCB-SFHVURJKSA-N 1 2 367.840 2.950 20 30 FFEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000588071842 518716617 /nfs/dbraw/zinc/71/66/17/518716617.db2.gz FUWVVLIRTYWTNI-UHFFFAOYSA-N 1 2 361.405 2.994 20 30 FFEDLO C=CCN1C(=O)N([C@@H]2C[C@H](C)n3cc[nH+]c32)C(=O)[C@H]1Cc1ccccc1 ZINC000573549765 518721205 /nfs/dbraw/zinc/72/12/05/518721205.db2.gz ZXEVJEFFCGQNKD-USXIJHARSA-N 1 2 350.422 2.950 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(Cc2cccc(Br)c2)no1 ZINC000579556166 518735829 /nfs/dbraw/zinc/73/58/29/518735829.db2.gz REGFTFKEGDCYCF-KGLIPLIRSA-N 1 2 364.243 2.856 20 30 FFEDLO CN1CC[NH+](C[C@@H](Nc2ncc3c(c2C#N)CCC3)c2ccccc2)CC1 ZINC000579584648 518751458 /nfs/dbraw/zinc/75/14/58/518751458.db2.gz CHBGTDUBCCBSBX-OAQYLSRUSA-N 1 2 361.493 2.843 20 30 FFEDLO C[C@H](CC(=O)NC1CCC(Oc2ncccc2C#N)CC1)n1cc[nH+]c1 ZINC000565053258 518763680 /nfs/dbraw/zinc/76/36/80/518763680.db2.gz ZFVZCMJBDOTKBY-ODIFPOPNSA-N 1 2 353.426 2.607 20 30 FFEDLO CC(C)c1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2cnn(C(C)C)c2n1 ZINC000582610463 518836508 /nfs/dbraw/zinc/83/65/08/518836508.db2.gz XROADVXQUPFZJS-IBGZPJMESA-N 1 2 356.474 2.709 20 30 FFEDLO COC(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(C#N)n1 ZINC000589111560 518918790 /nfs/dbraw/zinc/91/87/90/518918790.db2.gz XEUXVNUGBRZZTA-UHFFFAOYSA-N 1 2 351.341 2.677 20 30 FFEDLO COc1ccc(COCC[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1 ZINC000589287554 518972778 /nfs/dbraw/zinc/97/27/78/518972778.db2.gz QSYYCHCQRLVTKB-UHFFFAOYSA-N 1 2 372.494 2.671 20 30 FFEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@@](F)(c4ccccc4)C3)C2=O)cc1 ZINC000574101917 518987475 /nfs/dbraw/zinc/98/74/75/518987475.db2.gz WXZLHRIWSRFROH-NQIIRXRSSA-N 1 2 363.392 2.761 20 30 FFEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@@](F)(c4ccccc4)C3)C2=O)cc1 ZINC000574101917 518987477 /nfs/dbraw/zinc/98/74/77/518987477.db2.gz WXZLHRIWSRFROH-NQIIRXRSSA-N 1 2 363.392 2.761 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)cc1 ZINC000574137189 519004187 /nfs/dbraw/zinc/00/41/87/519004187.db2.gz KIJSNVMODBTAGL-OAQYLSRUSA-N 1 2 361.401 2.607 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)cc1 ZINC000574137189 519004196 /nfs/dbraw/zinc/00/41/96/519004196.db2.gz KIJSNVMODBTAGL-OAQYLSRUSA-N 1 2 361.401 2.607 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cccc(C#N)n2)[C@@H](C)C1 ZINC000589513740 519021650 /nfs/dbraw/zinc/02/16/50/519021650.db2.gz ZZSBDMGYHZMLHR-INIZCTEOSA-N 1 2 364.449 2.698 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cccc(C#N)n2)[C@@H](C)C1 ZINC000589513740 519021658 /nfs/dbraw/zinc/02/16/58/519021658.db2.gz ZZSBDMGYHZMLHR-INIZCTEOSA-N 1 2 364.449 2.698 20 30 FFEDLO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000577571581 519143328 /nfs/dbraw/zinc/14/33/28/519143328.db2.gz NXABMCOIIZCPCY-TZMCWYRMSA-N 1 2 350.344 2.844 20 30 FFEDLO N#Cc1cncc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)c1 ZINC000583350476 519199908 /nfs/dbraw/zinc/19/99/08/519199908.db2.gz BYIVZPRLBWGIPF-UHFFFAOYSA-N 1 2 350.403 2.744 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000583355954 519202437 /nfs/dbraw/zinc/20/24/37/519202437.db2.gz QQIKLISQRKTXLX-YVEFUNNKSA-N 1 2 369.387 2.911 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000566144636 519331052 /nfs/dbraw/zinc/33/10/52/519331052.db2.gz RUGMMUWXRTWCAP-IEZWGBDMSA-N 1 2 359.470 2.792 20 30 FFEDLO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@@H]3COC[C@@H]32)sc2c1CCCCC2 ZINC000590972377 519465635 /nfs/dbraw/zinc/46/56/35/519465635.db2.gz NFLVVGPEYCGBQK-CJNGLKHVSA-N 1 2 359.495 2.938 20 30 FFEDLO N#Cc1c(NC(=O)C[N@H+]2CCC[C@@H]3COC[C@@H]32)sc2c1CCCCC2 ZINC000590972377 519465640 /nfs/dbraw/zinc/46/56/40/519465640.db2.gz NFLVVGPEYCGBQK-CJNGLKHVSA-N 1 2 359.495 2.938 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccn(CCc4ccccc4)n3)CC2)nc1 ZINC000569435092 519547642 /nfs/dbraw/zinc/54/76/42/519547642.db2.gz LELYFLMDJFIQEK-UHFFFAOYSA-N 1 2 372.476 2.715 20 30 FFEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC000566573914 519558468 /nfs/dbraw/zinc/55/84/68/519558468.db2.gz KDTZQOKNYAKJMG-UHFFFAOYSA-N 1 2 359.449 2.633 20 30 FFEDLO CCC1(c2ccccc2)C[NH+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000591242826 519560165 /nfs/dbraw/zinc/56/01/65/519560165.db2.gz BBJLZLKHYOWJEM-UHFFFAOYSA-N 1 2 354.475 2.996 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@@H+]2[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000566577621 519560315 /nfs/dbraw/zinc/56/03/15/519560315.db2.gz PHBNNOPIBGGXSI-DLBZAZTESA-N 1 2 351.410 2.582 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@H+]2[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000566577621 519560322 /nfs/dbraw/zinc/56/03/22/519560322.db2.gz PHBNNOPIBGGXSI-DLBZAZTESA-N 1 2 351.410 2.582 20 30 FFEDLO C=CCCCCNC(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000566585498 519562696 /nfs/dbraw/zinc/56/26/96/519562696.db2.gz RQXADNRPMCSOAO-IBGZPJMESA-N 1 2 368.481 2.830 20 30 FFEDLO N#CCC(=O)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000566687217 519612424 /nfs/dbraw/zinc/61/24/24/519612424.db2.gz XWUNWDQWQSHQLY-UHFFFAOYSA-N 1 2 359.433 2.559 20 30 FFEDLO C=CCN1CC[C@H](N(C)C(=O)CCn2c(CCC)[nH+]c3ccccc32)C1=O ZINC000572449941 519614578 /nfs/dbraw/zinc/61/45/78/519614578.db2.gz KBIVYTVJYBBQRL-SFHVURJKSA-N 1 2 368.481 2.624 20 30 FFEDLO C[C@@H]1C[NH+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)C[C@@H](C)N1CC#N ZINC000602855254 519925815 /nfs/dbraw/zinc/92/58/15/519925815.db2.gz GZVXYSRGQMXIRP-IIDMSEBBSA-N 1 2 360.889 2.754 20 30 FFEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000591486972 519928929 /nfs/dbraw/zinc/92/89/29/519928929.db2.gz YLEWPTWYXIXLQI-MRXNPFEDSA-N 1 2 369.490 2.990 20 30 FFEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000591486972 519928932 /nfs/dbraw/zinc/92/89/32/519928932.db2.gz YLEWPTWYXIXLQI-MRXNPFEDSA-N 1 2 369.490 2.990 20 30 FFEDLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000602857478 519929077 /nfs/dbraw/zinc/92/90/77/519929077.db2.gz RRGOUZHLNZZJGG-FGTMMUONSA-N 1 2 368.525 2.661 20 30 FFEDLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000602857478 519929085 /nfs/dbraw/zinc/92/90/85/519929085.db2.gz RRGOUZHLNZZJGG-FGTMMUONSA-N 1 2 368.525 2.661 20 30 FFEDLO Cc1ccc(S(=O)(=O)N[C@@H](C[NH2+][C@@H](C)CC#N)c2ccccc2)cc1 ZINC000602869970 519937032 /nfs/dbraw/zinc/93/70/32/519937032.db2.gz RGFUBYNUCUQBNL-LPHOPBHVSA-N 1 2 357.479 2.906 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000602883923 519948032 /nfs/dbraw/zinc/94/80/32/519948032.db2.gz ZEVRNQFRVLXDHK-LJQANCHMSA-N 1 2 367.453 2.892 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000602883923 519948043 /nfs/dbraw/zinc/94/80/43/519948043.db2.gz ZEVRNQFRVLXDHK-LJQANCHMSA-N 1 2 367.453 2.892 20 30 FFEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(Nc3ccccc3C#N)CC2)cc1 ZINC000602895495 519956778 /nfs/dbraw/zinc/95/67/78/519956778.db2.gz OZUMFNAGHQFFNQ-UHFFFAOYSA-N 1 2 359.433 2.945 20 30 FFEDLO Cc1cc(NC(=O)N2CCN(CCC#N)CC2)c[nH+]c1N1CCCC[C@H]1C ZINC000602928816 519978517 /nfs/dbraw/zinc/97/85/17/519978517.db2.gz BANNPINATADJAV-QGZVFWFLSA-N 1 2 370.501 2.832 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)CC2(C#N)CCOCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000597469285 520048341 /nfs/dbraw/zinc/04/83/41/520048341.db2.gz VRFMYLICSMHNIW-SJLPKXTDSA-N 1 2 363.408 2.537 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)CC2(C#N)CCOCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000597469285 520048349 /nfs/dbraw/zinc/04/83/49/520048349.db2.gz VRFMYLICSMHNIW-SJLPKXTDSA-N 1 2 363.408 2.537 20 30 FFEDLO CCOC(=O)c1cccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)n1 ZINC000600107197 520051773 /nfs/dbraw/zinc/05/17/73/520051773.db2.gz RSWQSSWDGHJPIT-HXUWFJFHSA-N 1 2 364.449 2.641 20 30 FFEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ncncc2C#N)CC1 ZINC000591888614 520069627 /nfs/dbraw/zinc/06/96/27/520069627.db2.gz DFDGQBOBWMXTBM-CYBMUJFWSA-N 1 2 350.451 2.841 20 30 FFEDLO N#Cc1ccc([C@H]([NH2+]C[C@@H](OC2CCCC2)C(F)(F)F)C(N)=O)cc1 ZINC000594709817 520104893 /nfs/dbraw/zinc/10/48/93/520104893.db2.gz FPPTYXKCZDPPTQ-CABCVRRESA-N 1 2 355.360 2.564 20 30 FFEDLO N#Cc1ccc(Cl)c(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)c1 ZINC000597621945 520141815 /nfs/dbraw/zinc/14/18/15/520141815.db2.gz OUZGXXRYFDJPQA-UHFFFAOYSA-N 1 2 359.817 2.511 20 30 FFEDLO C[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC(F)F ZINC000592030537 520143269 /nfs/dbraw/zinc/14/32/69/520143269.db2.gz WQORPXGUDIRNQL-CQSZACIVSA-N 1 2 350.413 2.677 20 30 FFEDLO N#Cc1ccccc1OCc1cn(Cc2[nH+]ccn2CC(F)(F)F)nn1 ZINC000603216582 520164173 /nfs/dbraw/zinc/16/41/73/520164173.db2.gz UDXXBQJQSWBJAT-UHFFFAOYSA-N 1 2 362.315 2.536 20 30 FFEDLO COc1ccc(-c2nc(C[N@@H+]3CC[C@](O)(CC#N)C3)cs2)c(OC)c1 ZINC000592147925 520224053 /nfs/dbraw/zinc/22/40/53/520224053.db2.gz TZTAKZXLWFLXGJ-GOSISDBHSA-N 1 2 359.451 2.678 20 30 FFEDLO COc1ccc(-c2nc(C[N@H+]3CC[C@](O)(CC#N)C3)cs2)c(OC)c1 ZINC000592147925 520224059 /nfs/dbraw/zinc/22/40/59/520224059.db2.gz TZTAKZXLWFLXGJ-GOSISDBHSA-N 1 2 359.451 2.678 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000592148635 520227365 /nfs/dbraw/zinc/22/73/65/520227365.db2.gz XZSXFJBZYXHHAO-HNNXBMFYSA-N 1 2 352.316 2.606 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000592148635 520227371 /nfs/dbraw/zinc/22/73/71/520227371.db2.gz XZSXFJBZYXHHAO-HNNXBMFYSA-N 1 2 352.316 2.606 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)Nc2ccnn2-c2cc[nH+]cc2)c(Cl)c1 ZINC000613015773 520272174 /nfs/dbraw/zinc/27/21/74/520272174.db2.gz LVHCYAGEVGFLIT-UHFFFAOYSA-N 1 2 359.798 2.593 20 30 FFEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000609354559 520292775 /nfs/dbraw/zinc/29/27/75/520292775.db2.gz DQBGOGBWDQIILM-IBGZPJMESA-N 1 2 351.406 2.646 20 30 FFEDLO C=CCCSCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000595117361 520301550 /nfs/dbraw/zinc/30/15/50/520301550.db2.gz KFJWMMQGSYDZLJ-UHFFFAOYSA-N 1 2 372.494 2.815 20 30 FFEDLO C=CC[N@@H+](Cc1occc1C(=O)OC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000609431531 520311686 /nfs/dbraw/zinc/31/16/86/520311686.db2.gz FOSLGZFOOIESBZ-AWEZNQCLSA-N 1 2 367.409 2.791 20 30 FFEDLO C=CC[N@H+](Cc1occc1C(=O)OC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000609431531 520311693 /nfs/dbraw/zinc/31/16/93/520311693.db2.gz FOSLGZFOOIESBZ-AWEZNQCLSA-N 1 2 367.409 2.791 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000609486305 520330844 /nfs/dbraw/zinc/33/08/44/520330844.db2.gz HWJLHPSEQQVPQP-SFTDATJTSA-N 1 2 368.525 2.906 20 30 FFEDLO N#Cc1cc2c(nc1NC[C@@H](c1cccs1)[NH+]1CCOCC1)CCC2 ZINC000603839522 520373733 /nfs/dbraw/zinc/37/37/33/520373733.db2.gz WDBUCXDNMOODCA-KRWDZBQOSA-N 1 2 354.479 2.989 20 30 FFEDLO COc1cc(C#N)ccc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000613301022 520436410 /nfs/dbraw/zinc/43/64/10/520436410.db2.gz LPNLNOHQFIRFLN-UHFFFAOYSA-N 1 2 356.451 2.978 20 30 FFEDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000609895081 520473661 /nfs/dbraw/zinc/47/36/61/520473661.db2.gz IDUGVJAUROLRKO-IBGZPJMESA-N 1 2 351.406 2.733 20 30 FFEDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000609895081 520473668 /nfs/dbraw/zinc/47/36/68/520473668.db2.gz IDUGVJAUROLRKO-IBGZPJMESA-N 1 2 351.406 2.733 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)NCC3(C#N)CCCCC3)c[nH+]2)CCO1 ZINC000595455337 520481106 /nfs/dbraw/zinc/48/11/06/520481106.db2.gz MMXSTTFMGMIXDU-INIZCTEOSA-N 1 2 371.485 2.580 20 30 FFEDLO CC(C)CCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000600829473 520491626 /nfs/dbraw/zinc/49/16/26/520491626.db2.gz JESACIHZKIKQIF-APWZRJJASA-N 1 2 360.477 2.559 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000600829770 520492510 /nfs/dbraw/zinc/49/25/10/520492510.db2.gz LXDPUXNHQDHDMT-TXPKVOOTSA-N 1 2 360.477 2.701 20 30 FFEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000595470470 520492650 /nfs/dbraw/zinc/49/26/50/520492650.db2.gz VVYLIJBHDTXCRA-JKSUJKDBSA-N 1 2 355.816 2.946 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@@H](CO)C1 ZINC000609993555 520499190 /nfs/dbraw/zinc/49/91/90/520499190.db2.gz ZENRIMDSCRLFKH-UONOGXRCSA-N 1 2 361.511 2.920 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@@H](CO)C1 ZINC000609993555 520499195 /nfs/dbraw/zinc/49/91/95/520499195.db2.gz ZENRIMDSCRLFKH-UONOGXRCSA-N 1 2 361.511 2.920 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+]([C@@H]1CC(=O)N(c3ccc(F)cc3)C1=O)C2 ZINC000600885660 520512859 /nfs/dbraw/zinc/51/28/59/520512859.db2.gz JSGSCWRRAOQOOC-LJQANCHMSA-N 1 2 363.392 2.582 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+]([C@@H]1CC(=O)N(c3ccc(F)cc3)C1=O)C2 ZINC000600885660 520512866 /nfs/dbraw/zinc/51/28/66/520512866.db2.gz JSGSCWRRAOQOOC-LJQANCHMSA-N 1 2 363.392 2.582 20 30 FFEDLO Cc1cccc2[nH+]c(CCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cn21 ZINC000592746289 520554979 /nfs/dbraw/zinc/55/49/79/520554979.db2.gz TVRAHZMMRJHCFC-HXUWFJFHSA-N 1 2 370.453 2.563 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)C3(C#N)CC4(CC4)C3)CC2)cc1 ZINC000600978624 520569507 /nfs/dbraw/zinc/56/95/07/520569507.db2.gz XEYOYYCVQQUBEX-UHFFFAOYSA-N 1 2 353.466 2.813 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)Cc2c[nH+]c[nH]2)c1C#N ZINC000595591692 520577531 /nfs/dbraw/zinc/57/75/31/520577531.db2.gz BCBOGPPTKAPNIJ-UHFFFAOYSA-N 1 2 354.458 2.885 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)Cc2c[nH]c[nH+]2)c1C#N ZINC000595591692 520577535 /nfs/dbraw/zinc/57/75/35/520577535.db2.gz BCBOGPPTKAPNIJ-UHFFFAOYSA-N 1 2 354.458 2.885 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595617728 520597417 /nfs/dbraw/zinc/59/74/17/520597417.db2.gz JJAQBMARJWINKO-MGPUTAFESA-N 1 2 359.445 2.962 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595617728 520597424 /nfs/dbraw/zinc/59/74/24/520597424.db2.gz JJAQBMARJWINKO-MGPUTAFESA-N 1 2 359.445 2.962 20 30 FFEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633095 520611402 /nfs/dbraw/zinc/61/14/02/520611402.db2.gz LYSKDRZXTXWLEO-OWCLPIDISA-N 1 2 360.527 2.920 20 30 FFEDLO CCO[C@@H](C)c1noc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)n1 ZINC000595765955 520707705 /nfs/dbraw/zinc/70/77/05/520707705.db2.gz XKXMBCQIETWQFI-AWEZNQCLSA-N 1 2 356.426 2.834 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)OCC23CCC3)cc1 ZINC000593089895 520737123 /nfs/dbraw/zinc/73/71/23/520737123.db2.gz VGACUIKTPKINSX-KRWDZBQOSA-N 1 2 371.481 2.975 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)OCC23CCC3)cc1 ZINC000593089895 520737125 /nfs/dbraw/zinc/73/71/25/520737125.db2.gz VGACUIKTPKINSX-KRWDZBQOSA-N 1 2 371.481 2.975 20 30 FFEDLO CO[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000595824431 520747019 /nfs/dbraw/zinc/74/70/19/520747019.db2.gz GMFBPWWTVYTJHI-HXUWFJFHSA-N 1 2 370.497 2.591 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000610580920 520748521 /nfs/dbraw/zinc/74/85/21/520748521.db2.gz BEMQPADNXOMECR-IEBWSBKVSA-N 1 2 350.422 2.750 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000610580920 520748528 /nfs/dbraw/zinc/74/85/28/520748528.db2.gz BEMQPADNXOMECR-IEBWSBKVSA-N 1 2 350.422 2.750 20 30 FFEDLO C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1[nH+]ccn1C ZINC000595843704 520759355 /nfs/dbraw/zinc/75/93/55/520759355.db2.gz CBSKCJSZVCKXOD-CQSZACIVSA-N 1 2 353.426 2.606 20 30 FFEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@@H](CC(F)(F)F)O1 ZINC000595891272 520799292 /nfs/dbraw/zinc/79/92/92/520799292.db2.gz PJRHWHQOKPKADA-ZYHUDNBSSA-N 1 2 361.389 2.990 20 30 FFEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@@H](CC(F)(F)F)O1 ZINC000595891272 520799299 /nfs/dbraw/zinc/79/92/99/520799299.db2.gz PJRHWHQOKPKADA-ZYHUDNBSSA-N 1 2 361.389 2.990 20 30 FFEDLO C=CCC1(C(=O)NCc2ccc(C[NH+]3CCS(=O)CC3)cc2)CCC1 ZINC000601642570 520879410 /nfs/dbraw/zinc/87/94/10/520879410.db2.gz JEKMIZKGAAHSFS-UHFFFAOYSA-N 1 2 360.523 2.614 20 30 FFEDLO N#Cc1ccc(N2CCN(C(=O)CCCn3cc[nH+]c3)CC2)c(Cl)c1 ZINC000618149764 520905177 /nfs/dbraw/zinc/90/51/77/520905177.db2.gz ZHCBDEPHQKVFSA-UHFFFAOYSA-N 1 2 357.845 2.537 20 30 FFEDLO COC(=O)Cc1cc[nH+]c(N2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000596106925 520916397 /nfs/dbraw/zinc/91/63/97/520916397.db2.gz IGWMPCRDMCGPJY-UHFFFAOYSA-N 1 2 351.406 2.717 20 30 FFEDLO Cc1nc(N2CCN([C@@H](C#N)C(C)C)CC2)c(Br)c(C)[nH+]1 ZINC000596134315 520933307 /nfs/dbraw/zinc/93/33/07/520933307.db2.gz LNKMHASMCIHUNK-ZDUSSCGKSA-N 1 2 352.280 2.526 20 30 FFEDLO CCOC(=O)CCC1CC[NH+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000610996491 520937806 /nfs/dbraw/zinc/93/78/06/520937806.db2.gz VSBYTWAMSCRBCA-LJQANCHMSA-N 1 2 358.438 2.828 20 30 FFEDLO Cc1cc(C#N)ccc1CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000614396146 520944789 /nfs/dbraw/zinc/94/47/89/520944789.db2.gz ZIBUTTPKIWWSSQ-UHFFFAOYSA-N 1 2 363.461 2.956 20 30 FFEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccnc(C#N)c2)CCN1Cc1ccnc(C#N)c1 ZINC000611073772 520970941 /nfs/dbraw/zinc/97/09/41/520970941.db2.gz PKBFKPMNEGDPPI-HTAPYJJXSA-N 1 2 374.492 2.952 20 30 FFEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCN1Cc1ccnc(C#N)c1 ZINC000611073772 520970947 /nfs/dbraw/zinc/97/09/47/520970947.db2.gz PKBFKPMNEGDPPI-HTAPYJJXSA-N 1 2 374.492 2.952 20 30 FFEDLO CC(C)(C)n1ncc2c1nc(NCc1ccc(C#N)c(Cl)c1)[nH+]c2N ZINC000596220616 520977148 /nfs/dbraw/zinc/97/71/48/520977148.db2.gz BIDBUIRTYFZCGF-UHFFFAOYSA-N 1 2 355.833 2.723 20 30 FFEDLO COCCN(CCC#N)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000611141134 521008150 /nfs/dbraw/zinc/00/81/50/521008150.db2.gz SPRMNVPWHUPQSY-UHFFFAOYSA-N 1 2 365.437 2.996 20 30 FFEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1)c1ccc2c(c1)CCCC2 ZINC000611174469 521023621 /nfs/dbraw/zinc/02/36/21/521023621.db2.gz FQEJRCDYQYOFMR-MSOLQXFVSA-N 1 2 368.525 2.662 20 30 FFEDLO N#CCCN1CC[NH+](CC(=O)NCC2(c3ccccc3)CCCCC2)CC1 ZINC000611174757 521023876 /nfs/dbraw/zinc/02/38/76/521023876.db2.gz PWLXFNQXFVDZGE-UHFFFAOYSA-N 1 2 368.525 2.536 20 30 FFEDLO CC(C)(C)C[C@H](NC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccc(F)cc1 ZINC000611176103 521025280 /nfs/dbraw/zinc/02/52/80/521025280.db2.gz UKUDLQPUSDBLBE-IBGZPJMESA-N 1 2 374.504 2.950 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@H](C(F)F)CC2)c1 ZINC000601974325 521050931 /nfs/dbraw/zinc/05/09/31/521050931.db2.gz IAIMYFUYDGUJKV-QGZVFWFLSA-N 1 2 365.424 2.906 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@H](C(F)F)CC2)c1 ZINC000601974325 521050938 /nfs/dbraw/zinc/05/09/38/521050938.db2.gz IAIMYFUYDGUJKV-QGZVFWFLSA-N 1 2 365.424 2.906 20 30 FFEDLO Cc1cccc2c1ncc(C#N)c2NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000599183719 521075606 /nfs/dbraw/zinc/07/56/06/521075606.db2.gz RKPGKFIZPYHCLR-LJQANCHMSA-N 1 2 373.460 2.545 20 30 FFEDLO Cc1cccc2c1ncc(C#N)c2NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000599183719 521075610 /nfs/dbraw/zinc/07/56/10/521075610.db2.gz RKPGKFIZPYHCLR-LJQANCHMSA-N 1 2 373.460 2.545 20 30 FFEDLO CCC[N@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)Cc1ccccc1F ZINC000611371245 521123040 /nfs/dbraw/zinc/12/30/40/521123040.db2.gz OAAPFMJHRMQXSN-FQEVSTJZSA-N 1 2 374.504 2.730 20 30 FFEDLO CCC[N@@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)Cc1ccccc1F ZINC000611371245 521123047 /nfs/dbraw/zinc/12/30/47/521123047.db2.gz OAAPFMJHRMQXSN-FQEVSTJZSA-N 1 2 374.504 2.730 20 30 FFEDLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@@H](O)COc1ccccc1C#N ZINC000599303266 521136728 /nfs/dbraw/zinc/13/67/28/521136728.db2.gz ADNAOQSBGUZWDQ-GFCCVEGCSA-N 1 2 371.384 2.905 20 30 FFEDLO C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@@H](O)COc1ccccc1C#N ZINC000599303266 521136736 /nfs/dbraw/zinc/13/67/36/521136736.db2.gz ADNAOQSBGUZWDQ-GFCCVEGCSA-N 1 2 371.384 2.905 20 30 FFEDLO C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccsc1 ZINC000611408530 521140069 /nfs/dbraw/zinc/14/00/69/521140069.db2.gz OLFKBVMAJOCLAB-MRXNPFEDSA-N 1 2 374.535 2.650 20 30 FFEDLO C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccsc1 ZINC000611408530 521140077 /nfs/dbraw/zinc/14/00/77/521140077.db2.gz OLFKBVMAJOCLAB-MRXNPFEDSA-N 1 2 374.535 2.650 20 30 FFEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000606842304 521178256 /nfs/dbraw/zinc/17/82/56/521178256.db2.gz FFEFOIUZSGWBOA-CYBMUJFWSA-N 1 2 372.387 2.721 20 30 FFEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000606842304 521178265 /nfs/dbraw/zinc/17/82/65/521178265.db2.gz FFEFOIUZSGWBOA-CYBMUJFWSA-N 1 2 372.387 2.721 20 30 FFEDLO Cn1ncc(C2CCC2)c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000596655938 521194407 /nfs/dbraw/zinc/19/44/07/521194407.db2.gz ADBPYHZXAKDFJC-UHFFFAOYSA-N 1 2 363.465 2.517 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c(C)o1 ZINC000611550735 521213439 /nfs/dbraw/zinc/21/34/39/521213439.db2.gz IYVCVIYEEKUAMI-GOSISDBHSA-N 1 2 371.412 2.896 20 30 FFEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000611550226 521213974 /nfs/dbraw/zinc/21/39/74/521213974.db2.gz AGGHYGBUDOSHIT-IBVKSMDESA-N 1 2 371.481 2.816 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553319 521215078 /nfs/dbraw/zinc/21/50/78/521215078.db2.gz WREOCEWFCIQJDO-LSTHTHJFSA-N 1 2 372.488 2.703 20 30 FFEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1Cc1ccc(C#N)cc1Cl ZINC000599446471 521232140 /nfs/dbraw/zinc/23/21/40/521232140.db2.gz VBGVLWLJTGUCAQ-GOSISDBHSA-N 1 2 352.829 2.816 20 30 FFEDLO COc1ccc(-c2nc(C)sc2CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000602336082 521287410 /nfs/dbraw/zinc/28/74/10/521287410.db2.gz XSKXUASQRLLXMW-IBGZPJMESA-N 1 2 372.494 2.630 20 30 FFEDLO COc1ccc(-c2cncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2)c(C)c1 ZINC000602336668 521287519 /nfs/dbraw/zinc/28/75/19/521287519.db2.gz ZIXKLXOWVDUQRD-FQEVSTJZSA-N 1 2 352.438 2.639 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599631913 521345853 /nfs/dbraw/zinc/34/58/53/521345853.db2.gz GHAJFEVQLQIPBZ-JPMUSVJPSA-N 1 2 364.536 2.889 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599631913 521345869 /nfs/dbraw/zinc/34/58/69/521345869.db2.gz GHAJFEVQLQIPBZ-JPMUSVJPSA-N 1 2 364.536 2.889 20 30 FFEDLO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[NH2+][C@H](CC)CC#N ZINC000594009031 521346122 /nfs/dbraw/zinc/34/61/22/521346122.db2.gz ZEAUHJKGGJHBOR-GFCCVEGCSA-N 1 2 365.455 2.656 20 30 FFEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cccc(F)c2N)CC1 ZINC000602444830 521350107 /nfs/dbraw/zinc/35/01/07/521350107.db2.gz QUQAREVUABBYKN-UHFFFAOYSA-N 1 2 367.384 2.850 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@@](C)(C#N)C3)c[nH+]2)C[C@@H](C)O1 ZINC000612108441 521484086 /nfs/dbraw/zinc/48/40/86/521484086.db2.gz LTQGDBUVFYFAIF-QINHECLXSA-N 1 2 371.485 2.530 20 30 FFEDLO COC(=O)c1coc([C@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000602763574 521519952 /nfs/dbraw/zinc/51/99/52/521519952.db2.gz QAIRQHINPCDIRD-AWEZNQCLSA-N 1 2 354.410 2.606 20 30 FFEDLO COC(=O)c1coc([C@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000602763574 521519959 /nfs/dbraw/zinc/51/99/59/521519959.db2.gz QAIRQHINPCDIRD-AWEZNQCLSA-N 1 2 354.410 2.606 20 30 FFEDLO CCOc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1O[C@H](C)C(=O)N(C)C ZINC000597231683 521587259 /nfs/dbraw/zinc/58/72/59/521587259.db2.gz ZYGCBOIIRVZBLX-QRWLVFNGSA-N 1 2 359.470 2.676 20 30 FFEDLO CCOc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1O[C@H](C)C(=O)N(C)C ZINC000597231683 521587265 /nfs/dbraw/zinc/58/72/65/521587265.db2.gz ZYGCBOIIRVZBLX-QRWLVFNGSA-N 1 2 359.470 2.676 20 30 FFEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N2CCC[C@@](C)(C#N)C2)cc1 ZINC000612357517 521590618 /nfs/dbraw/zinc/59/06/18/521590618.db2.gz HHCDLVDCSAHGKG-CTNGQTDRSA-N 1 2 370.497 2.704 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000597248120 521594585 /nfs/dbraw/zinc/59/45/85/521594585.db2.gz MQPPRXPYTRZOOH-ZDUSSCGKSA-N 1 2 356.376 2.750 20 30 FFEDLO N#Cc1ccc(CNC(=O)c2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC000619765964 521859564 /nfs/dbraw/zinc/85/95/64/521859564.db2.gz WRIBZUKWOWEJPC-UHFFFAOYSA-N 1 2 369.852 2.974 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000619782753 521868492 /nfs/dbraw/zinc/86/84/92/521868492.db2.gz GWETYHIMCVPIIN-MRXNPFEDSA-N 1 2 356.397 2.526 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000619782753 521868499 /nfs/dbraw/zinc/86/84/99/521868499.db2.gz GWETYHIMCVPIIN-MRXNPFEDSA-N 1 2 356.397 2.526 20 30 FFEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784817 521871218 /nfs/dbraw/zinc/87/12/18/521871218.db2.gz VJQIRWHSDWBBGW-APWZRJJASA-N 1 2 374.916 2.923 20 30 FFEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC2 ZINC000623676753 522212114 /nfs/dbraw/zinc/21/21/14/522212114.db2.gz DJUXWNSDXAQYBA-OAHLLOKOSA-N 1 2 361.367 2.941 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CCCCC1 ZINC000629433589 522215147 /nfs/dbraw/zinc/21/51/47/522215147.db2.gz RATQWVXRVQZTNC-LJQANCHMSA-N 1 2 357.498 2.925 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CCCCC1 ZINC000629433589 522215157 /nfs/dbraw/zinc/21/51/57/522215157.db2.gz RATQWVXRVQZTNC-LJQANCHMSA-N 1 2 357.498 2.925 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625799901 523696426 /nfs/dbraw/zinc/69/64/26/523696426.db2.gz QSKIYDHCLUYCNZ-NRFANRHFSA-N 1 2 356.466 2.911 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625799901 523696432 /nfs/dbraw/zinc/69/64/32/523696432.db2.gz QSKIYDHCLUYCNZ-NRFANRHFSA-N 1 2 356.466 2.911 20 30 FFEDLO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)n1 ZINC000541144577 562604304 /nfs/dbraw/zinc/60/43/04/562604304.db2.gz CGGJBLUSMUYBEU-GFCCVEGCSA-N 1 2 366.812 2.795 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCC(NC(=O)[O-])CC3)CC2)cc1 ZINC000833972267 606008131 /nfs/dbraw/zinc/00/81/31/606008131.db2.gz YBBBLSMTFOHNTO-UHFFFAOYSA-N 1 2 356.470 2.691 20 30 FFEDLO N#Cc1cnc(NC[C@]2([NH+]3CCOCC3)CCSC2)c2sccc21 ZINC000601106320 673826422 /nfs/dbraw/zinc/82/64/22/673826422.db2.gz PEOZLDJAWYKBLL-QGZVFWFLSA-N 1 2 360.508 2.788 20 30 FFEDLO C=C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000128107099 728708025 /nfs/dbraw/zinc/70/80/25/728708025.db2.gz ZHMMMDRPOHDMTB-CYBMUJFWSA-N 1 2 357.376 2.987 20 30 FFEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1ccc(F)c(Cl)c1 ZINC000863178963 730753867 /nfs/dbraw/zinc/75/38/67/730753867.db2.gz MAYVSZDWUAIQOX-UHFFFAOYSA-N 1 2 351.813 2.804 20 30 FFEDLO C=CCSc1nc2ccccc2n1C[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000915206915 737614372 /nfs/dbraw/zinc/61/43/72/737614372.db2.gz QOSAIWPFQAMFLZ-UHFFFAOYSA-N 1 2 359.499 2.571 20 30 FFEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000867680166 731212698 /nfs/dbraw/zinc/21/26/98/731212698.db2.gz AYFYXLQUDQKRRZ-UHFFFAOYSA-N 1 2 363.414 2.714 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC[C@H]3CCSC3)CC2)cc1 ZINC000868833335 731336431 /nfs/dbraw/zinc/33/64/31/731336431.db2.gz NTJQJDZDHCXSHE-SFHVURJKSA-N 1 2 358.511 2.529 20 30 FFEDLO C=CCCn1cc(C[NH2+]Cc2ccc(Br)cc2OC)nn1 ZINC000657439573 731779911 /nfs/dbraw/zinc/77/99/11/731779911.db2.gz CIUOPRRFSXZNSR-UHFFFAOYSA-N 1 2 351.248 2.915 20 30 FFEDLO C=CCn1c2ccccc2n(C[NH+]2CCC(C(=O)NOC)CC2)c1=S ZINC000872791431 731832156 /nfs/dbraw/zinc/83/21/56/731832156.db2.gz GSAWYDXYRIEAPS-UHFFFAOYSA-N 1 2 360.483 2.705 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@H](C)COC ZINC000661243306 732187478 /nfs/dbraw/zinc/18/74/78/732187478.db2.gz IYQXKGANACPVSQ-GFCCVEGCSA-N 1 2 356.850 2.819 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@H](C)COC ZINC000661243306 732187481 /nfs/dbraw/zinc/18/74/81/732187481.db2.gz IYQXKGANACPVSQ-GFCCVEGCSA-N 1 2 356.850 2.819 20 30 FFEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000661376566 732197409 /nfs/dbraw/zinc/19/74/09/732197409.db2.gz CLQMUXQMVVALRY-MRXNPFEDSA-N 1 2 354.281 2.902 20 30 FFEDLO N#Cc1cc(F)ccc1N1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000879588532 732729609 /nfs/dbraw/zinc/72/96/09/732729609.db2.gz HPFXYGYYOPEDTK-VWLOTQADSA-N 1 2 357.454 2.627 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880054552 732834554 /nfs/dbraw/zinc/83/45/54/732834554.db2.gz HOOIOXQEBGCDQG-MCIONIFRSA-N 1 2 361.408 2.759 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880054552 732834560 /nfs/dbraw/zinc/83/45/60/732834560.db2.gz HOOIOXQEBGCDQG-MCIONIFRSA-N 1 2 361.408 2.759 20 30 FFEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000880477867 732912852 /nfs/dbraw/zinc/91/28/52/732912852.db2.gz XFSFVPZHYJUKFB-UHFFFAOYSA-N 1 2 372.799 2.730 20 30 FFEDLO C#Cc1ccc(NC(=O)c2cccn2CC[NH+]2CCOCC2)c(Cl)c1 ZINC000885671257 733693329 /nfs/dbraw/zinc/69/33/29/733693329.db2.gz DANNBCWFZKTLBH-UHFFFAOYSA-N 1 2 357.841 2.707 20 30 FFEDLO COCC#CC[NH+]1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000677819366 733968273 /nfs/dbraw/zinc/96/82/73/733968273.db2.gz ZTXQSMGXULIREY-UHFFFAOYSA-N 1 2 359.470 2.717 20 30 FFEDLO O=C1[C@@H]([NH2+]Cc2cc(OC(F)F)ccc2Br)CCCN1O ZINC000895159364 734970076 /nfs/dbraw/zinc/97/00/76/734970076.db2.gz UJDUCQJEGKVRQS-NSHDSACASA-N 1 2 365.174 2.520 20 30 FFEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccc(NS(C)(=O)=O)cc3)n21 ZINC000748999354 735687856 /nfs/dbraw/zinc/68/78/56/735687856.db2.gz WAOXBRRLTPEWLH-KHPPLWFESA-N 1 2 355.419 2.910 20 30 FFEDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000752279935 735974045 /nfs/dbraw/zinc/97/40/45/735974045.db2.gz FLGWUUZGJNANBD-AWEZNQCLSA-N 1 2 353.369 2.870 20 30 FFEDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000752279935 735974047 /nfs/dbraw/zinc/97/40/47/735974047.db2.gz FLGWUUZGJNANBD-AWEZNQCLSA-N 1 2 353.369 2.870 20 30 FFEDLO C#CCCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000766895919 737272424 /nfs/dbraw/zinc/27/24/24/737272424.db2.gz KPRIRBOYYICMBJ-UHFFFAOYSA-N 1 2 361.294 2.713 20 30 FFEDLO C=CCNc1ncc(C(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)s1 ZINC000771026135 737685824 /nfs/dbraw/zinc/68/58/24/737685824.db2.gz UKBGPGRXLUFXBJ-AWEZNQCLSA-N 1 2 364.515 2.504 20 30 FFEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2cc(C)c(F)cc2Cl)CC1 ZINC000772116635 737787640 /nfs/dbraw/zinc/78/76/40/737787640.db2.gz WECHYASHBUVKJH-UHFFFAOYSA-N 1 2 351.805 2.859 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1csc(-c2ccc(C(=O)OC)cc2)n1)[C@@H]1CCCO1 ZINC000775804528 738126760 /nfs/dbraw/zinc/12/67/60/738126760.db2.gz AKVLGERAQSPZQK-SJORKVTESA-N 1 2 356.447 2.867 20 30 FFEDLO C[NH+]1CCN(c2ccc(NC(=O)C(C)(C)C#N)cc2Br)CC1 ZINC000787534129 739144095 /nfs/dbraw/zinc/14/40/95/739144095.db2.gz SFCAHBKQCGPMFY-UHFFFAOYSA-N 1 2 365.275 2.689 20 30 FFEDLO C=C(Br)C[NH+]1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000932048690 739378938 /nfs/dbraw/zinc/37/89/38/739378938.db2.gz QAJSVIOYJFYKBQ-UHFFFAOYSA-N 1 2 351.244 2.552 20 30 FFEDLO Cn1ccc([C@@H]2CCC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)n1 ZINC000932136084 739393588 /nfs/dbraw/zinc/39/35/88/739393588.db2.gz HSYUVDDPGBQGSN-CQSZACIVSA-N 1 2 357.845 2.763 20 30 FFEDLO Cn1ccc([C@@H]2CCC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)n1 ZINC000932136084 739393590 /nfs/dbraw/zinc/39/35/90/739393590.db2.gz HSYUVDDPGBQGSN-CQSZACIVSA-N 1 2 357.845 2.763 20 30 FFEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NS(=O)(=O)CC(C)(C)C#N)c(C)c1 ZINC000790039079 739410362 /nfs/dbraw/zinc/41/03/62/739410362.db2.gz PADNTGRWIOPMCX-KRWDZBQOSA-N 1 2 360.483 2.710 20 30 FFEDLO O=S1(=O)C=C(NNc2ccc(-c3cccc(C(F)(F)F)c3)n[nH+]2)CC1 ZINC000794979702 739947387 /nfs/dbraw/zinc/94/73/87/739947387.db2.gz PPTZGPHNWLMJDP-UHFFFAOYSA-N 1 2 370.356 2.749 20 30 FFEDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)NCCC#N)ccc1Br ZINC000797523874 740253637 /nfs/dbraw/zinc/25/36/37/740253637.db2.gz XURPAGKTDXAXNG-OAHLLOKOSA-N 1 2 350.260 2.924 20 30 FFEDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)NCCC#N)ccc1Br ZINC000797523874 740253639 /nfs/dbraw/zinc/25/36/39/740253639.db2.gz XURPAGKTDXAXNG-OAHLLOKOSA-N 1 2 350.260 2.924 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC000969684473 740736851 /nfs/dbraw/zinc/73/68/51/740736851.db2.gz LVOVKUTWZRPKLB-XYPHTWIQSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(O)ccc2Cl)C1 ZINC000972375586 740827137 /nfs/dbraw/zinc/82/71/37/740827137.db2.gz IPTUNGQKGXDRPH-KYJSFNMBSA-N 1 2 364.873 2.669 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(O)ccc2Cl)C1 ZINC000972375586 740827141 /nfs/dbraw/zinc/82/71/41/740827141.db2.gz IPTUNGQKGXDRPH-KYJSFNMBSA-N 1 2 364.873 2.669 20 30 FFEDLO C=CCCCCCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000804977383 740921985 /nfs/dbraw/zinc/92/19/85/740921985.db2.gz PWACDZTZDXEWDZ-SFHVURJKSA-N 1 2 355.548 2.630 20 30 FFEDLO N#Cc1cc(F)cc(OS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)c1 ZINC000808333126 741213627 /nfs/dbraw/zinc/21/36/27/741213627.db2.gz ALXJVQAHQWSMJC-UHFFFAOYSA-N 1 2 357.366 2.710 20 30 FFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000810086908 741384023 /nfs/dbraw/zinc/38/40/23/741384023.db2.gz UTMDUVZCPOCNSQ-HOTGVXAUSA-N 1 2 352.475 2.683 20 30 FFEDLO C#C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000811963362 741579243 /nfs/dbraw/zinc/57/92/43/741579243.db2.gz LJVUZTHNTJGHIQ-OLMNPRSZSA-N 1 2 361.873 2.519 20 30 FFEDLO N#Cc1ccsc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174130 741685061 /nfs/dbraw/zinc/68/50/61/741685061.db2.gz QMSYGJNPASOSHZ-HNNXBMFYSA-N 1 2 357.391 2.959 20 30 FFEDLO N#Cc1ccsc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174130 741685063 /nfs/dbraw/zinc/68/50/63/741685063.db2.gz QMSYGJNPASOSHZ-HNNXBMFYSA-N 1 2 357.391 2.959 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2csc(CCC)n2)CC1 ZINC001003649803 742210450 /nfs/dbraw/zinc/21/04/50/742210450.db2.gz MBAUAYCEQBPVBL-SJORKVTESA-N 1 2 363.527 2.767 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)NC2CC[NH+](CC#Cc3ccccc3Cl)CC2)O1 ZINC001003662685 742211524 /nfs/dbraw/zinc/21/15/24/742211524.db2.gz WQBOUAVQTSJXEQ-DNVCBOLYSA-N 1 2 360.885 2.840 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCS3)n2Cc2cccs2)CC1 ZINC000818424343 742270390 /nfs/dbraw/zinc/27/03/90/742270390.db2.gz NOKKFIZPDXDRAP-MRXNPFEDSA-N 1 2 373.551 2.711 20 30 FFEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2CCO[C@H]2C(=C)C)CC1 ZINC001006127121 742278559 /nfs/dbraw/zinc/27/85/59/742278559.db2.gz LLSNECHGVFMOOY-HOTGVXAUSA-N 1 2 371.319 2.799 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](CC#Cc3cccc(Cl)c3)C2)O1 ZINC001008590865 742385872 /nfs/dbraw/zinc/38/58/72/742385872.db2.gz LIFFAXHNSYCJOJ-AYOQOUSVSA-N 1 2 360.885 2.840 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](CC#Cc3cccc(Cl)c3)C2)O1 ZINC001008590865 742385880 /nfs/dbraw/zinc/38/58/80/742385880.db2.gz LIFFAXHNSYCJOJ-AYOQOUSVSA-N 1 2 360.885 2.840 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001008856571 742412014 /nfs/dbraw/zinc/41/20/14/742412014.db2.gz SIMFOEPBMVMNSV-BQFCYCMXSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001008856571 742412019 /nfs/dbraw/zinc/41/20/19/742412019.db2.gz SIMFOEPBMVMNSV-BQFCYCMXSA-N 1 2 363.889 2.797 20 30 FFEDLO C#C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000820565399 742519563 /nfs/dbraw/zinc/51/95/63/742519563.db2.gz NBAUNDJQAAYXDY-MSOLQXFVSA-N 1 2 361.873 2.521 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001026096147 742749926 /nfs/dbraw/zinc/74/99/26/742749926.db2.gz RIOOOXRCCRVMAX-CKFOTROLSA-N 1 2 359.297 2.723 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001026096147 742749929 /nfs/dbraw/zinc/74/99/29/742749929.db2.gz RIOOOXRCCRVMAX-CKFOTROLSA-N 1 2 359.297 2.723 20 30 FFEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001027891237 742778513 /nfs/dbraw/zinc/77/85/13/742778513.db2.gz SUHRAADBHPSWHI-HRCADAONSA-N 1 2 364.287 2.674 20 30 FFEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001027891237 742778516 /nfs/dbraw/zinc/77/85/16/742778516.db2.gz SUHRAADBHPSWHI-HRCADAONSA-N 1 2 364.287 2.674 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001044038355 743232060 /nfs/dbraw/zinc/23/20/60/743232060.db2.gz XXALQIUXAJBONP-QEJZJMRPSA-N 1 2 361.313 2.694 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC001046946070 743341962 /nfs/dbraw/zinc/34/19/62/743341962.db2.gz ZWLZLULHFNYJBS-ILXRZTDVSA-N 1 2 364.864 2.873 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC001046946070 743341971 /nfs/dbraw/zinc/34/19/71/743341971.db2.gz ZWLZLULHFNYJBS-ILXRZTDVSA-N 1 2 364.864 2.873 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001046962734 743343386 /nfs/dbraw/zinc/34/33/86/743343386.db2.gz OUKVTFNGQOJVPD-ZNMIVQPWSA-N 1 2 362.848 2.627 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001046962734 743343392 /nfs/dbraw/zinc/34/33/92/743343392.db2.gz OUKVTFNGQOJVPD-ZNMIVQPWSA-N 1 2 362.848 2.627 20 30 FFEDLO C#CC[N@@H+](CC[S@@](C)=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000827813088 744982483 /nfs/dbraw/zinc/98/24/83/744982483.db2.gz KJKGGBZYBXHKDQ-JLTOFOAXSA-N 1 2 356.285 2.586 20 30 FFEDLO C#CC[N@H+](CC[S@@](C)=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000827813088 744982487 /nfs/dbraw/zinc/98/24/87/744982487.db2.gz KJKGGBZYBXHKDQ-JLTOFOAXSA-N 1 2 356.285 2.586 20 30 FFEDLO C#CCC[N@@H+](CCOC)Cc1c(Br)cc(OC)cc1OC ZINC000827822975 744985117 /nfs/dbraw/zinc/98/51/17/744985117.db2.gz IOZVUDOYTZPICU-UHFFFAOYSA-N 1 2 356.260 2.938 20 30 FFEDLO C#CCC[N@H+](CCOC)Cc1c(Br)cc(OC)cc1OC ZINC000827822975 744985121 /nfs/dbraw/zinc/98/51/21/744985121.db2.gz IOZVUDOYTZPICU-UHFFFAOYSA-N 1 2 356.260 2.938 20 30 FFEDLO C#CC1CC[NH+](CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 ZINC000830343307 745341157 /nfs/dbraw/zinc/34/11/57/745341157.db2.gz RWFHLDCQDLMDDY-UHFFFAOYSA-N 1 2 350.344 2.865 20 30 FFEDLO C#C[C@H](NC(=O)NCCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000837316695 746421318 /nfs/dbraw/zinc/42/13/18/746421318.db2.gz LKDOWQYDORJHSE-HNNXBMFYSA-N 1 2 361.243 2.709 20 30 FFEDLO COc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@@H](C)n2cc[nH+]c2)cc1Cl ZINC000845441907 748259532 /nfs/dbraw/zinc/25/95/32/748259532.db2.gz AJOFSXPRIQAFSB-DGCLKSJQSA-N 1 2 360.801 2.844 20 30 FFEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@H](CC(C)C)CC1=O ZINC000819745939 945279982 /nfs/dbraw/zinc/27/99/82/945279982.db2.gz VUEYFUCDUGCGNU-QGZVFWFLSA-N 1 2 368.485 2.707 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@H](CC(C)C)CC1=O ZINC000819745939 945279994 /nfs/dbraw/zinc/27/99/94/945279994.db2.gz VUEYFUCDUGCGNU-QGZVFWFLSA-N 1 2 368.485 2.707 20 30 FFEDLO C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)Cc2ccccc2O1 ZINC000330235808 971538757 /nfs/dbraw/zinc/53/87/57/971538757.db2.gz YYRZSMGMPWZYRD-NVXWUHKLSA-N 1 2 352.438 2.857 20 30 FFEDLO COc1cccc([C@H]([NH2+]CC(=O)NCCC#N)c2cc(F)ccc2OC)c1 ZINC000759778347 971640631 /nfs/dbraw/zinc/64/06/31/971640631.db2.gz WIGNPTUJMGVIDC-FQEVSTJZSA-N 1 2 371.412 2.552 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)nn(CCC)c1C)C2 ZINC001098174641 971673844 /nfs/dbraw/zinc/67/38/44/971673844.db2.gz BCXZXGWGMNSVEE-OAGGEKHMSA-N 1 2 350.894 2.998 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)nn(CCC)c1C)C2 ZINC001098174641 971673852 /nfs/dbraw/zinc/67/38/52/971673852.db2.gz BCXZXGWGMNSVEE-OAGGEKHMSA-N 1 2 350.894 2.998 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2cncc(F)c2)CC1(C)C ZINC000974587819 972026264 /nfs/dbraw/zinc/02/62/64/972026264.db2.gz MVRCLASCLRRVPL-SQNIBIBYSA-N 1 2 361.461 2.529 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2cncc(F)c2)CC1(C)C ZINC000974587819 972026273 /nfs/dbraw/zinc/02/62/73/972026273.db2.gz MVRCLASCLRRVPL-SQNIBIBYSA-N 1 2 361.461 2.529 20 30 FFEDLO Cc1cc(C(=O)O[C@@H](C)C[NH+]2CCOCC2)c(C)n1-c1ccc(C#N)cc1 ZINC000784917631 959016206 /nfs/dbraw/zinc/01/62/06/959016206.db2.gz GOMMKWANINHOEF-INIZCTEOSA-N 1 2 367.449 2.843 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029512351 972402991 /nfs/dbraw/zinc/40/29/91/972402991.db2.gz VHEJUERBSAZFPG-QXGSTGNESA-N 1 2 371.506 2.776 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029512351 972403001 /nfs/dbraw/zinc/40/30/01/972403001.db2.gz VHEJUERBSAZFPG-QXGSTGNESA-N 1 2 371.506 2.776 20 30 FFEDLO C=CCCN(OCc1ccccc1)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000187152049 959387828 /nfs/dbraw/zinc/38/78/28/959387828.db2.gz NVUPCGGGRBFKJR-QZTJIDSGSA-N 1 2 361.486 2.815 20 30 FFEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)cc1 ZINC000091811046 959851395 /nfs/dbraw/zinc/85/13/95/959851395.db2.gz ATKOIURTCANILV-INIZCTEOSA-N 1 2 365.433 2.641 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccco3)no2)C[C@H]1C ZINC001208964128 959894625 /nfs/dbraw/zinc/89/46/25/959894625.db2.gz SVMXEJMTXCHJIF-ZIAGYGMSSA-N 1 2 358.442 2.868 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccco3)no2)C[C@H]1C ZINC001208964128 959894632 /nfs/dbraw/zinc/89/46/32/959894632.db2.gz SVMXEJMTXCHJIF-ZIAGYGMSSA-N 1 2 358.442 2.868 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ncc(-c2ccc(C)cc2)o1 ZINC001266328630 959901621 /nfs/dbraw/zinc/90/16/21/959901621.db2.gz KQJMAIIJTQRBIF-MSOLQXFVSA-N 1 2 369.465 2.789 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](C)Cc1ncc(-c2ccc(C)cc2)o1 ZINC001266328630 959901633 /nfs/dbraw/zinc/90/16/33/959901633.db2.gz KQJMAIIJTQRBIF-MSOLQXFVSA-N 1 2 369.465 2.789 20 30 FFEDLO N#Cc1ccc(Nc2cnn(CC[NH+]3CCOCC3)c2)cc1C(F)(F)F ZINC001174491987 1013222159 /nfs/dbraw/zinc/22/21/59/1013222159.db2.gz ZNBWIQFIQBUXMD-UHFFFAOYSA-N 1 2 365.359 2.849 20 30 FFEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1ccnc(Cl)c1F)CC2 ZINC001275951067 1013223354 /nfs/dbraw/zinc/22/33/54/1013223354.db2.gz DQVJIXBBCPLPQO-CQSZACIVSA-N 1 2 364.852 2.896 20 30 FFEDLO COc1ccc(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)cc1C#N ZINC000134964582 961653532 /nfs/dbraw/zinc/65/35/32/961653532.db2.gz GTZFEFZTAHMOJY-UHFFFAOYSA-N 1 2 361.449 2.532 20 30 FFEDLO N#CCCCN1C[C@@]2(F)C[N@@H+](Cc3ccccc3C3CC3)C[C@@]2(F)C1=O ZINC001276005354 1013275223 /nfs/dbraw/zinc/27/52/23/1013275223.db2.gz SUHVAOOGZGMNMO-VQTJNVASSA-N 1 2 359.420 2.942 20 30 FFEDLO N#CCCCN1C[C@@]2(F)C[N@H+](Cc3ccccc3C3CC3)C[C@@]2(F)C1=O ZINC001276005354 1013275228 /nfs/dbraw/zinc/27/52/28/1013275228.db2.gz SUHVAOOGZGMNMO-VQTJNVASSA-N 1 2 359.420 2.942 20 30 FFEDLO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)cc(C#N)c1 ZINC001276005149 1013275423 /nfs/dbraw/zinc/27/54/23/1013275423.db2.gz MRRUDKYLSVFUIA-VBKZILBWSA-N 1 2 357.429 2.632 20 30 FFEDLO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)cc(C#N)c1 ZINC001276005149 1013275433 /nfs/dbraw/zinc/27/54/33/1013275433.db2.gz MRRUDKYLSVFUIA-VBKZILBWSA-N 1 2 357.429 2.632 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cncc(F)c2)C1 ZINC000970561562 961700234 /nfs/dbraw/zinc/70/02/34/961700234.db2.gz YPGOVRDPOITUSR-JVPBZIDWSA-N 1 2 361.461 2.529 20 30 FFEDLO C=CCN1CCC2(CC[NH+](Cc3cnc(Br)s3)CC2)C1=O ZINC001276011284 1013282630 /nfs/dbraw/zinc/28/26/30/1013282630.db2.gz UTKGYZHSRPRBPU-UHFFFAOYSA-N 1 2 370.316 2.906 20 30 FFEDLO C#CCN1C(=O)[C@@]2(CC[N@@H+](Cc3csc(Cl)n3)C2)c2ccccc21 ZINC001276039431 1013352954 /nfs/dbraw/zinc/35/29/54/1013352954.db2.gz YTZPGIVEQGZBIP-GOSISDBHSA-N 1 2 357.866 2.920 20 30 FFEDLO C#CCN1C(=O)[C@@]2(CC[N@H+](Cc3csc(Cl)n3)C2)c2ccccc21 ZINC001276039431 1013352962 /nfs/dbraw/zinc/35/29/62/1013352962.db2.gz YTZPGIVEQGZBIP-GOSISDBHSA-N 1 2 357.866 2.920 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnc(C)nc2)CCCCC1 ZINC001110178177 1013356578 /nfs/dbraw/zinc/35/65/78/1013356578.db2.gz VCXZLCBHOMBLSQ-AABGKKOBSA-N 1 2 366.509 2.980 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnc(C)nc2)CCCCC1 ZINC001110178177 1013356588 /nfs/dbraw/zinc/35/65/88/1013356588.db2.gz VCXZLCBHOMBLSQ-AABGKKOBSA-N 1 2 366.509 2.980 20 30 FFEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N[C@@](C)(C(N)=O)C(C)C)[nH+]1 ZINC001167411136 962856501 /nfs/dbraw/zinc/85/65/01/962856501.db2.gz NWPAIGRQLSDFDT-NXJRCDDVSA-N 1 2 352.504 2.583 20 30 FFEDLO CCOc1cccc(N2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)n1 ZINC000135060234 962859872 /nfs/dbraw/zinc/85/98/72/962859872.db2.gz RFXGLBCQJWTYCI-UHFFFAOYSA-N 1 2 352.438 2.683 20 30 FFEDLO C[N@@H+]1CCCn2nc(C(=O)Nc3c(C#N)cccc3C(F)(F)F)cc2C1 ZINC001175088282 1013388591 /nfs/dbraw/zinc/38/85/91/1013388591.db2.gz LNJWQJCHFFMENE-UHFFFAOYSA-N 1 2 363.343 2.861 20 30 FFEDLO C[N@H+]1CCCn2nc(C(=O)Nc3c(C#N)cccc3C(F)(F)F)cc2C1 ZINC001175088282 1013388598 /nfs/dbraw/zinc/38/85/98/1013388598.db2.gz LNJWQJCHFFMENE-UHFFFAOYSA-N 1 2 363.343 2.861 20 30 FFEDLO C=CCN1C(=O)CC[C@@]12CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC001151970586 1032072467 /nfs/dbraw/zinc/07/24/67/1032072467.db2.gz SPXSGXBUUSKYIZ-HXUWFJFHSA-N 1 2 352.438 2.736 20 30 FFEDLO C[NH+]=C(NCC[N@H+](C)C1CCCCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261661316 963178677 /nfs/dbraw/zinc/17/86/77/963178677.db2.gz AUHJIPIOQHJSMD-HKUYNNGSSA-N 1 2 360.550 2.606 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cccc3c2OC(F)(F)O3)C1=O ZINC001276081642 1013419098 /nfs/dbraw/zinc/41/90/98/1013419098.db2.gz QUAXJWGDIALNRS-KRWDZBQOSA-N 1 2 350.365 2.761 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cccc3c2OC(F)(F)O3)C1=O ZINC001276081642 1013419102 /nfs/dbraw/zinc/41/91/02/1013419102.db2.gz QUAXJWGDIALNRS-KRWDZBQOSA-N 1 2 350.365 2.761 20 30 FFEDLO COC(C)(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C#N)cc2F)C1=O ZINC001276089291 1013435298 /nfs/dbraw/zinc/43/52/98/1013435298.db2.gz LGRJPAUZHDZGMP-FQEVSTJZSA-N 1 2 359.445 2.689 20 30 FFEDLO COC(C)(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C#N)cc2F)C1=O ZINC001276089291 1013435301 /nfs/dbraw/zinc/43/53/01/1013435301.db2.gz LGRJPAUZHDZGMP-FQEVSTJZSA-N 1 2 359.445 2.689 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cc(O)ccc2Br)C1=O ZINC001276088174 1013433743 /nfs/dbraw/zinc/43/37/43/1013433743.db2.gz AMIPCORXFLEVDQ-QGZVFWFLSA-N 1 2 365.271 2.908 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(O)ccc2Br)C1=O ZINC001276088174 1013433747 /nfs/dbraw/zinc/43/37/47/1013433747.db2.gz AMIPCORXFLEVDQ-QGZVFWFLSA-N 1 2 365.271 2.908 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1 ZINC001175269282 1013435822 /nfs/dbraw/zinc/43/58/22/1013435822.db2.gz XJBAXGPNWKPVCO-QZTJIDSGSA-N 1 2 373.250 2.945 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1 ZINC001175269282 1013435829 /nfs/dbraw/zinc/43/58/29/1013435829.db2.gz XJBAXGPNWKPVCO-QZTJIDSGSA-N 1 2 373.250 2.945 20 30 FFEDLO CCn1c[nH+]c2c1CCN([C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)C2 ZINC000933259706 963765099 /nfs/dbraw/zinc/76/50/99/963765099.db2.gz QXEKGJPMDMWJEJ-QGZVFWFLSA-N 1 2 365.481 2.905 20 30 FFEDLO C[C@@H](C(=O)NCc1ccccc1F)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001175444012 1013480962 /nfs/dbraw/zinc/48/09/62/1013480962.db2.gz HEPDFUAHFQAOKW-INIZCTEOSA-N 1 2 366.440 2.524 20 30 FFEDLO Cc1ccc(N2CC[C@@H]([NH+]3CCN(c4ccc(C#N)cc4)CC3)C2=O)cc1 ZINC001175444878 1013482335 /nfs/dbraw/zinc/48/23/35/1013482335.db2.gz QCRUSLKVKOIAFO-OAQYLSRUSA-N 1 2 360.461 2.794 20 30 FFEDLO Cc1nscc1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001075708308 964358087 /nfs/dbraw/zinc/35/80/87/964358087.db2.gz CESCGFWUHDPKHH-KBXCAEBGSA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1nscc1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001075708308 964358098 /nfs/dbraw/zinc/35/80/98/964358098.db2.gz CESCGFWUHDPKHH-KBXCAEBGSA-N 1 2 370.453 2.809 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960880390 1013502897 /nfs/dbraw/zinc/50/28/97/1013502897.db2.gz BWGZXOBNAOYELT-ZCNNSNEGSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960880390 1013502905 /nfs/dbraw/zinc/50/29/05/1013502905.db2.gz BWGZXOBNAOYELT-ZCNNSNEGSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000960883412 1013504784 /nfs/dbraw/zinc/50/47/84/1013504784.db2.gz KOLCTWCVYOGUJP-ZACQAIPSSA-N 1 2 359.470 2.566 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000960883412 1013504789 /nfs/dbraw/zinc/50/47/89/1013504789.db2.gz KOLCTWCVYOGUJP-ZACQAIPSSA-N 1 2 359.470 2.566 20 30 FFEDLO CC(=O)c1ccc(C#N)c(NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)c1 ZINC000664627091 964796603 /nfs/dbraw/zinc/79/66/03/964796603.db2.gz KFDAUIQNUVRYDG-OAQYLSRUSA-N 1 2 362.477 2.989 20 30 FFEDLO CC(=O)c1ccc(C#N)c(NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)c1 ZINC000664627091 964796615 /nfs/dbraw/zinc/79/66/15/964796615.db2.gz KFDAUIQNUVRYDG-OAQYLSRUSA-N 1 2 362.477 2.989 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3csc(C4CC4)n3)CC2)cc1 ZINC000873817103 1013646998 /nfs/dbraw/zinc/64/69/98/1013646998.db2.gz OPQAEPMBUMCZRG-UHFFFAOYSA-N 1 2 366.490 2.779 20 30 FFEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](Cc3csc(-c4ccoc4)n3)C[C@H]21 ZINC001075780777 967235032 /nfs/dbraw/zinc/23/50/32/967235032.db2.gz WPGPBBQZIMBNJN-MAUKXSAKSA-N 1 2 367.474 2.849 20 30 FFEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](Cc3csc(-c4ccoc4)n3)C[C@H]21 ZINC001075780777 967235043 /nfs/dbraw/zinc/23/50/43/967235043.db2.gz WPGPBBQZIMBNJN-MAUKXSAKSA-N 1 2 367.474 2.849 20 30 FFEDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC001176554199 1013730602 /nfs/dbraw/zinc/73/06/02/1013730602.db2.gz ARLZFQGKCUODPG-LLVKDONJSA-N 1 2 374.422 2.996 20 30 FFEDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC001176554199 1013730608 /nfs/dbraw/zinc/73/06/08/1013730608.db2.gz ARLZFQGKCUODPG-LLVKDONJSA-N 1 2 374.422 2.996 20 30 FFEDLO C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000329351206 967659392 /nfs/dbraw/zinc/65/93/92/967659392.db2.gz UBQKHARBCWIERJ-JCKWVBRZSA-N 1 2 373.501 2.649 20 30 FFEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)C2)C1 ZINC000972546646 967684766 /nfs/dbraw/zinc/68/47/66/967684766.db2.gz RELIMYMAFBYPHY-SXGZJXTBSA-N 1 2 362.420 2.558 20 30 FFEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)C2)C1 ZINC000972546646 967684770 /nfs/dbraw/zinc/68/47/70/967684770.db2.gz RELIMYMAFBYPHY-SXGZJXTBSA-N 1 2 362.420 2.558 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001029344067 967772808 /nfs/dbraw/zinc/77/28/08/967772808.db2.gz FKKNYIMWTAKHCV-LBKNJMOBSA-N 1 2 371.456 2.688 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001029344067 967772815 /nfs/dbraw/zinc/77/28/15/967772815.db2.gz FKKNYIMWTAKHCV-LBKNJMOBSA-N 1 2 371.456 2.688 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001075807639 967862847 /nfs/dbraw/zinc/86/28/47/967862847.db2.gz MMSMGGBJYHUYKB-MLHJIOFPSA-N 1 2 371.481 2.566 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001075807639 967862861 /nfs/dbraw/zinc/86/28/61/967862861.db2.gz MMSMGGBJYHUYKB-MLHJIOFPSA-N 1 2 371.481 2.566 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCCN2C(=O)CCc2ccc(C)[nH+]c2C)C1=O ZINC001271026808 967975726 /nfs/dbraw/zinc/97/57/26/967975726.db2.gz QGOGUGQFRPITKX-OAQYLSRUSA-N 1 2 355.482 2.801 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2nccc(C)n2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087555280 968115057 /nfs/dbraw/zinc/11/50/57/968115057.db2.gz XXMLPBNXBGCHKT-ZWKOTPCHSA-N 1 2 367.428 2.579 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2nccc(C)n2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087555280 968115066 /nfs/dbraw/zinc/11/50/66/968115066.db2.gz XXMLPBNXBGCHKT-ZWKOTPCHSA-N 1 2 367.428 2.579 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCOCC2)[C@H]1CC ZINC001087557716 968128034 /nfs/dbraw/zinc/12/80/34/968128034.db2.gz VTZQLSUAEBFPJT-SOUVJXGZSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCOCC2)[C@H]1CC ZINC001087557716 968128036 /nfs/dbraw/zinc/12/80/36/968128036.db2.gz VTZQLSUAEBFPJT-SOUVJXGZSA-N 1 2 359.308 2.681 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)no3)[C@@H]2CC)cc1 ZINC001087627947 968414897 /nfs/dbraw/zinc/41/48/97/968414897.db2.gz SVTHPHYEWSHBRE-ZWKOTPCHSA-N 1 2 370.453 2.726 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)no3)[C@@H]2CC)cc1 ZINC001087627947 968414905 /nfs/dbraw/zinc/41/49/05/968414905.db2.gz SVTHPHYEWSHBRE-ZWKOTPCHSA-N 1 2 370.453 2.726 20 30 FFEDLO CCc1nnsc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1CC ZINC001087646158 968468769 /nfs/dbraw/zinc/46/87/69/968468769.db2.gz OTAFYWAIDCLCAU-ZWKOTPCHSA-N 1 2 368.506 2.735 20 30 FFEDLO CCc1nnsc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1CC ZINC001087646158 968468776 /nfs/dbraw/zinc/46/87/76/968468776.db2.gz OTAFYWAIDCLCAU-ZWKOTPCHSA-N 1 2 368.506 2.735 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C(C)C)nn3)[C@@H]2CC)cc1 ZINC001087681556 968587502 /nfs/dbraw/zinc/58/75/02/968587502.db2.gz CWACDVHWDSSIRV-VQTJNVASSA-N 1 2 365.481 2.623 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C(C)C)nn3)[C@@H]2CC)cc1 ZINC001087681556 968587512 /nfs/dbraw/zinc/58/75/12/968587512.db2.gz CWACDVHWDSSIRV-VQTJNVASSA-N 1 2 365.481 2.623 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3coc(C4CC4)n3)[C@@H]2CC)c1 ZINC001087718993 968717563 /nfs/dbraw/zinc/71/75/63/968717563.db2.gz UQUPTQPKFGGAOD-RBUKOAKNSA-N 1 2 364.449 2.711 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3coc(C4CC4)n3)[C@@H]2CC)c1 ZINC001087718993 968717569 /nfs/dbraw/zinc/71/75/69/968717569.db2.gz UQUPTQPKFGGAOD-RBUKOAKNSA-N 1 2 364.449 2.711 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2Br)[C@H]1CC ZINC001087765197 968969354 /nfs/dbraw/zinc/96/93/54/968969354.db2.gz FYVODFUIJUHZAM-WDEREUQCSA-N 1 2 361.671 2.507 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2Br)[C@H]1CC ZINC001087765197 968969356 /nfs/dbraw/zinc/96/93/56/968969356.db2.gz FYVODFUIJUHZAM-WDEREUQCSA-N 1 2 361.671 2.507 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2cscn2)[C@@H]1CC ZINC001087810326 970320771 /nfs/dbraw/zinc/32/07/71/970320771.db2.gz PCNCNILETYRVMR-RBUKOAKNSA-N 1 2 353.491 2.836 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2cscn2)[C@@H]1CC ZINC001087810326 970320781 /nfs/dbraw/zinc/32/07/81/970320781.db2.gz PCNCNILETYRVMR-RBUKOAKNSA-N 1 2 353.491 2.836 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N(Cc2ccc(C)o2)C2CC2)cc1 ZINC000174124034 970382038 /nfs/dbraw/zinc/38/20/38/970382038.db2.gz JDBGXJBVRTWELD-UHFFFAOYSA-N 1 2 371.437 2.619 20 30 FFEDLO Cc1cc(C)c(CCNC(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c(C)c1 ZINC000330162207 970614552 /nfs/dbraw/zinc/61/45/52/970614552.db2.gz UJQAHYFAQWEEIG-RXVVDRJESA-N 1 2 360.498 2.991 20 30 FFEDLO Cc1cc(C)c(CCNC(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c(C)c1 ZINC000330162207 970614560 /nfs/dbraw/zinc/61/45/60/970614560.db2.gz UJQAHYFAQWEEIG-RXVVDRJESA-N 1 2 360.498 2.991 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C)n4CC)CC[C@@H]3C2)CC1 ZINC001088090705 972701648 /nfs/dbraw/zinc/70/16/48/972701648.db2.gz BVKBNXQHFRAXFH-MOPGFXCFSA-N 1 2 371.529 2.633 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C)n4CC)CC[C@@H]3C2)CC1 ZINC001088090705 972701661 /nfs/dbraw/zinc/70/16/61/972701661.db2.gz BVKBNXQHFRAXFH-MOPGFXCFSA-N 1 2 371.529 2.633 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C4CC4)nn3C)CC[C@@H]2C1 ZINC001088093106 972712648 /nfs/dbraw/zinc/71/26/48/972712648.db2.gz JNYVWNNVXOKYTE-LLGFUMIMSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C4CC4)nn3C)CC[C@@H]2C1 ZINC001088093106 972712664 /nfs/dbraw/zinc/71/26/64/972712664.db2.gz JNYVWNNVXOKYTE-LLGFUMIMSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)CC[C@@H]2C1 ZINC001088093088 972713442 /nfs/dbraw/zinc/71/34/42/972713442.db2.gz IZFGOJVTNOADLV-GUXCAODWSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)CC[C@@H]2C1 ZINC001088093088 972713450 /nfs/dbraw/zinc/71/34/50/972713450.db2.gz IZFGOJVTNOADLV-GUXCAODWSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(CC)s3)CC[C@@H]2C1 ZINC001088093531 972730064 /nfs/dbraw/zinc/73/00/64/972730064.db2.gz ZQQGXCZHMVXURA-VCBZYWHSSA-N 1 2 362.543 2.983 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(CC)s3)CC[C@@H]2C1 ZINC001088093531 972730075 /nfs/dbraw/zinc/73/00/75/972730075.db2.gz ZQQGXCZHMVXURA-VCBZYWHSSA-N 1 2 362.543 2.983 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C4CC4)o3)CC[C@@H]2C1 ZINC001088093357 972731219 /nfs/dbraw/zinc/73/12/19/972731219.db2.gz UAVGHHUCYLDUHP-GUXCAODWSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C4CC4)o3)CC[C@@H]2C1 ZINC001088093357 972731225 /nfs/dbraw/zinc/73/12/25/972731225.db2.gz UAVGHHUCYLDUHP-GUXCAODWSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nn(C)cc3Cl)CC[C@@H]2C1 ZINC001088093345 972731300 /nfs/dbraw/zinc/73/13/00/972731300.db2.gz SXJQFENUESFPHB-ZRGWGRIASA-N 1 2 364.921 2.956 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3nn(C)cc3Cl)CC[C@@H]2C1 ZINC001088093345 972731303 /nfs/dbraw/zinc/73/13/03/972731303.db2.gz SXJQFENUESFPHB-ZRGWGRIASA-N 1 2 364.921 2.956 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccn(C(C)C)n1 ZINC001027888678 975678342 /nfs/dbraw/zinc/67/83/42/975678342.db2.gz XAZDDZPVTVCWMC-OTWHNJEPSA-N 1 2 360.502 2.526 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccn(C(C)C)n1 ZINC001027888678 975678351 /nfs/dbraw/zinc/67/83/51/975678351.db2.gz XAZDDZPVTVCWMC-OTWHNJEPSA-N 1 2 360.502 2.526 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2COc3ccc(F)cc3C2)[C@H]1C ZINC001088745073 975701960 /nfs/dbraw/zinc/70/19/60/975701960.db2.gz IXODVZZHRJFRBZ-INWMFGNUSA-N 1 2 352.837 2.708 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COc3ccc(F)cc3C2)[C@H]1C ZINC001088745073 975701970 /nfs/dbraw/zinc/70/19/70/975701970.db2.gz IXODVZZHRJFRBZ-INWMFGNUSA-N 1 2 352.837 2.708 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccon4)C[C@H]32)cc1 ZINC001075958716 975731265 /nfs/dbraw/zinc/73/12/65/975731265.db2.gz OJHLUTSNOLTEKY-QFBILLFUSA-N 1 2 353.422 2.586 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccon4)C[C@H]32)cc1 ZINC001075958716 975731274 /nfs/dbraw/zinc/73/12/74/975731274.db2.gz OJHLUTSNOLTEKY-QFBILLFUSA-N 1 2 353.422 2.586 20 30 FFEDLO Cc1cc(C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccc(Cl)cc4)C[C@H]32)n[nH]1 ZINC001075587472 975870904 /nfs/dbraw/zinc/87/09/04/975870904.db2.gz DKOFVEOXVAPWCW-QFBILLFUSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccc(Cl)cc4)C[C@H]32)n[nH]1 ZINC001075587472 975870911 /nfs/dbraw/zinc/87/09/11/975870911.db2.gz DKOFVEOXVAPWCW-QFBILLFUSA-N 1 2 368.868 2.570 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2nc3c(s2)CCC3)C1 ZINC001087432401 976130209 /nfs/dbraw/zinc/13/02/09/976130209.db2.gz NIXWOOXDTUVNOA-SJLPKXTDSA-N 1 2 365.502 2.853 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2nc3c(s2)CCC3)C1 ZINC001087432401 976130214 /nfs/dbraw/zinc/13/02/14/976130214.db2.gz NIXWOOXDTUVNOA-SJLPKXTDSA-N 1 2 365.502 2.853 20 30 FFEDLO Cc1nn(C)c(Cl)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088778680 976141285 /nfs/dbraw/zinc/14/12/85/976141285.db2.gz PKLRXABPBLOTNJ-CJNGLKHVSA-N 1 2 371.872 2.646 20 30 FFEDLO Cc1nn(C)c(Cl)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088778680 976141289 /nfs/dbraw/zinc/14/12/89/976141289.db2.gz PKLRXABPBLOTNJ-CJNGLKHVSA-N 1 2 371.872 2.646 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC000981603697 976643721 /nfs/dbraw/zinc/64/37/21/976643721.db2.gz PEXIHGQRKRDKOX-CTNGQTDRSA-N 1 2 353.466 2.552 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC000981603697 976643725 /nfs/dbraw/zinc/64/37/25/976643725.db2.gz PEXIHGQRKRDKOX-CTNGQTDRSA-N 1 2 353.466 2.552 20 30 FFEDLO C=CCCn1cc(CN(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)nn1 ZINC000653554468 1014374271 /nfs/dbraw/zinc/37/42/71/1014374271.db2.gz FOHPNOGQQPUZLW-IBGZPJMESA-N 1 2 369.513 2.577 20 30 FFEDLO O=C(c1cccc(C#CCO)c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000899933931 977398861 /nfs/dbraw/zinc/39/88/61/977398861.db2.gz ZMHBPEOSQBJESJ-YHYXMXQVSA-N 1 2 360.457 2.502 20 30 FFEDLO N#Cc1cccc(OCC[NH+]2CCN(c3nc(F)c(F)cc3F)CC2)c1 ZINC000759996047 977754503 /nfs/dbraw/zinc/75/45/03/977754503.db2.gz VTOUXYHIJSQSET-UHFFFAOYSA-N 1 2 362.355 2.572 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2coc(C3CC3)n2)C1 ZINC001087458772 977930533 /nfs/dbraw/zinc/93/05/33/977930533.db2.gz UKUWHROGMUZJKK-QZTJIDSGSA-N 1 2 367.424 2.912 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2coc(C3CC3)n2)C1 ZINC001087458772 977930540 /nfs/dbraw/zinc/93/05/40/977930540.db2.gz UKUWHROGMUZJKK-QZTJIDSGSA-N 1 2 367.424 2.912 20 30 FFEDLO COc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(C#N)cnc3Cl)C2=O)cc1 ZINC000877039229 1014459066 /nfs/dbraw/zinc/45/90/66/1014459066.db2.gz BZSKKMCLBCEVSG-QGZVFWFLSA-N 1 2 370.840 2.506 20 30 FFEDLO C[C@@H](NCc1cc(C#N)cnc1Cl)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000877059091 1014464520 /nfs/dbraw/zinc/46/45/20/1014464520.db2.gz QKZRMKYDGYFANE-DNVCBOLYSA-N 1 2 370.884 2.986 20 30 FFEDLO C[C@@H](NCc1cc(C#N)cnc1Cl)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000877059091 1014464525 /nfs/dbraw/zinc/46/45/25/1014464525.db2.gz QKZRMKYDGYFANE-DNVCBOLYSA-N 1 2 370.884 2.986 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1c(Cl)cccc1OC ZINC001268745870 978386374 /nfs/dbraw/zinc/38/63/74/978386374.db2.gz LGZGXRLLDDLIQF-CPUCHLNUSA-N 1 2 366.889 2.876 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1c(Cl)cccc1OC ZINC001268745870 978386381 /nfs/dbraw/zinc/38/63/81/978386381.db2.gz LGZGXRLLDDLIQF-CPUCHLNUSA-N 1 2 366.889 2.876 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4nc(C)n(C)c4c3)[C@@H]2C1 ZINC001076123350 979138627 /nfs/dbraw/zinc/13/86/27/979138627.db2.gz NRPFRUFZWNSUNY-MAUKXSAKSA-N 1 2 358.873 2.781 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4nc(C)n(C)c4c3)[C@@H]2C1 ZINC001076123350 979138630 /nfs/dbraw/zinc/13/86/30/979138630.db2.gz NRPFRUFZWNSUNY-MAUKXSAKSA-N 1 2 358.873 2.781 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)c4nnc(CC)o4)C[C@H]32)CC1 ZINC001076208819 979227288 /nfs/dbraw/zinc/22/72/88/979227288.db2.gz LXIWTOODMVMJRI-BHYGNILZSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)c4nnc(CC)o4)C[C@H]32)CC1 ZINC001076208819 979227296 /nfs/dbraw/zinc/22/72/96/979227296.db2.gz LXIWTOODMVMJRI-BHYGNILZSA-N 1 2 358.486 2.972 20 30 FFEDLO Cc1nocc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1C ZINC001088833222 979411415 /nfs/dbraw/zinc/41/14/15/979411415.db2.gz HKXNAKZJBQVWMH-KDOFPFPSSA-N 1 2 357.841 2.881 20 30 FFEDLO Cc1nocc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1C ZINC001088833222 979411418 /nfs/dbraw/zinc/41/14/18/979411418.db2.gz HKXNAKZJBQVWMH-KDOFPFPSSA-N 1 2 357.841 2.881 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC4CCCC4)c3)[C@@H]2C1 ZINC001076406612 979456055 /nfs/dbraw/zinc/45/60/55/979456055.db2.gz UGWZDSMAJRLXFZ-FUHWJXTLSA-N 1 2 362.905 2.972 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC4CCCC4)c3)[C@@H]2C1 ZINC001076406612 979456057 /nfs/dbraw/zinc/45/60/57/979456057.db2.gz UGWZDSMAJRLXFZ-FUHWJXTLSA-N 1 2 362.905 2.972 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(-c4ccc(C)o4)n[nH]3)[C@@H]2C1 ZINC001076575576 979663874 /nfs/dbraw/zinc/66/38/74/979663874.db2.gz YQSCINKDZSZODZ-XJKSGUPXSA-N 1 2 360.845 2.877 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(-c4ccc(C)o4)n[nH]3)[C@@H]2C1 ZINC001076575576 979663880 /nfs/dbraw/zinc/66/38/80/979663880.db2.gz YQSCINKDZSZODZ-XJKSGUPXSA-N 1 2 360.845 2.877 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]21)c1ccccc1 ZINC001076598401 979700150 /nfs/dbraw/zinc/70/01/50/979700150.db2.gz YZNWKLZXLBCWQM-DFQSSKMNSA-N 1 2 351.450 2.986 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cc(C)on3)C[C@H]21)c1ccccc1 ZINC001076598401 979700155 /nfs/dbraw/zinc/70/01/55/979700155.db2.gz YZNWKLZXLBCWQM-DFQSSKMNSA-N 1 2 351.450 2.986 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C)cn3)C[C@H]21)c1ccccc1 ZINC001076599345 979701605 /nfs/dbraw/zinc/70/16/05/979701605.db2.gz LGSRHJJQFISFTG-XUVXKRRUSA-N 1 2 362.477 2.788 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C)cn3)C[C@H]21)c1ccccc1 ZINC001076599345 979701614 /nfs/dbraw/zinc/70/16/14/979701614.db2.gz LGSRHJJQFISFTG-XUVXKRRUSA-N 1 2 362.477 2.788 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(N(CC)CC)nc3)[C@@H]2C1 ZINC001076631422 979738960 /nfs/dbraw/zinc/73/89/60/979738960.db2.gz YICHDIONACECAG-DLBZAZTESA-N 1 2 362.905 2.827 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(N(CC)CC)nc3)[C@@H]2C1 ZINC001076631422 979738966 /nfs/dbraw/zinc/73/89/66/979738966.db2.gz YICHDIONACECAG-DLBZAZTESA-N 1 2 362.905 2.827 20 30 FFEDLO CC(C)(C)c1nc2c(o1)c(C#N)cnc2N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001168368067 979990172 /nfs/dbraw/zinc/99/01/72/979990172.db2.gz FRIMLMUUAMYNEW-CYBMUJFWSA-N 1 2 355.442 2.667 20 30 FFEDLO CC(C)(C)c1nc2c(o1)c(C#N)cnc2N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001168368067 979990176 /nfs/dbraw/zinc/99/01/76/979990176.db2.gz FRIMLMUUAMYNEW-CYBMUJFWSA-N 1 2 355.442 2.667 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C3(C)CC=CC3)[C@H]2C)c1 ZINC001088837721 980002966 /nfs/dbraw/zinc/00/29/66/980002966.db2.gz VPHJYEFYDMDNDL-APWZRJJASA-N 1 2 365.477 2.542 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C3(C)CC=CC3)[C@H]2C)c1 ZINC001088837721 980002973 /nfs/dbraw/zinc/00/29/73/980002973.db2.gz VPHJYEFYDMDNDL-APWZRJJASA-N 1 2 365.477 2.542 20 30 FFEDLO CC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)CCCCCC1 ZINC001077149670 980023534 /nfs/dbraw/zinc/02/35/34/980023534.db2.gz RXXVRLZQQZOQFI-WOJBJXKFSA-N 1 2 354.494 2.560 20 30 FFEDLO CC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)CCCCCC1 ZINC001077149670 980023540 /nfs/dbraw/zinc/02/35/40/980023540.db2.gz RXXVRLZQQZOQFI-WOJBJXKFSA-N 1 2 354.494 2.560 20 30 FFEDLO Cc1nscc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088532425 980457407 /nfs/dbraw/zinc/45/74/07/980457407.db2.gz OUQNQLVPVYKTGQ-PXAZEXFGSA-N 1 2 358.442 2.855 20 30 FFEDLO Cc1nscc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088532425 980457412 /nfs/dbraw/zinc/45/74/12/980457412.db2.gz OUQNQLVPVYKTGQ-PXAZEXFGSA-N 1 2 358.442 2.855 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)[C@@H]2C)co1 ZINC001088538966 980478462 /nfs/dbraw/zinc/47/84/62/980478462.db2.gz AWTCKBWCMDGOBZ-DYVFJYSZSA-N 1 2 357.841 2.881 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)[C@@H]2C)co1 ZINC001088538966 980478471 /nfs/dbraw/zinc/47/84/71/980478471.db2.gz AWTCKBWCMDGOBZ-DYVFJYSZSA-N 1 2 357.841 2.881 20 30 FFEDLO O=C(c1cccc(C#CCO)c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000907842109 981313957 /nfs/dbraw/zinc/31/39/57/981313957.db2.gz VJDIBPCBUXBYPD-UHFFFAOYSA-N 1 2 363.461 2.583 20 30 FFEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001212009115 981453255 /nfs/dbraw/zinc/45/32/55/981453255.db2.gz LTOAGNMQWQACAW-GDIGMMSISA-N 1 2 361.461 2.839 20 30 FFEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001212009115 981453260 /nfs/dbraw/zinc/45/32/60/981453260.db2.gz LTOAGNMQWQACAW-GDIGMMSISA-N 1 2 361.461 2.839 20 30 FFEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001212009654 981453971 /nfs/dbraw/zinc/45/39/71/981453971.db2.gz UTDAIXHCBKSKFN-PWIZWCRZSA-N 1 2 360.473 2.819 20 30 FFEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001212009654 981453978 /nfs/dbraw/zinc/45/39/78/981453978.db2.gz UTDAIXHCBKSKFN-PWIZWCRZSA-N 1 2 360.473 2.819 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1nc(C)sc1C ZINC001483395265 982030867 /nfs/dbraw/zinc/03/08/67/982030867.db2.gz GLYMPNWMTOZDPD-PVUWLOKVSA-N 1 2 351.516 2.678 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1nc(C)sc1C ZINC001483395265 982030872 /nfs/dbraw/zinc/03/08/72/982030872.db2.gz GLYMPNWMTOZDPD-PVUWLOKVSA-N 1 2 351.516 2.678 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@H+](Cc3ccc(-n4cncn4)c(F)c3)CCO2)cc1 ZINC000897592633 982361168 /nfs/dbraw/zinc/36/11/68/982361168.db2.gz YSZFJOCIUSAIOJ-FQEVSTJZSA-N 1 2 363.396 2.852 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@@H+](Cc3ccc(-n4cncn4)c(F)c3)CCO2)cc1 ZINC000897592633 982361173 /nfs/dbraw/zinc/36/11/73/982361173.db2.gz YSZFJOCIUSAIOJ-FQEVSTJZSA-N 1 2 363.396 2.852 20 30 FFEDLO COCc1ccc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000842023559 982611055 /nfs/dbraw/zinc/61/10/55/982611055.db2.gz FBONFTWHKVJPML-UHFFFAOYSA-N 1 2 369.465 2.502 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H]3CCC4(CCOCC4)CO3)CCO2)c1 ZINC000878322241 1014985745 /nfs/dbraw/zinc/98/57/45/1014985745.db2.gz HOQKSBQMNHUDQP-PMACEKPBSA-N 1 2 356.466 2.907 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H]3CCC4(CCOCC4)CO3)CCO2)c1 ZINC000878322241 1014985749 /nfs/dbraw/zinc/98/57/49/1014985749.db2.gz HOQKSBQMNHUDQP-PMACEKPBSA-N 1 2 356.466 2.907 20 30 FFEDLO CCOCc1ccccc1CNC(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000151295678 984247660 /nfs/dbraw/zinc/24/76/60/984247660.db2.gz LFGQZNFMFQTYIG-UHFFFAOYSA-N 1 2 373.428 2.624 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCN(C(=O)C2CC2)CC1(C)C)c1ccccc1 ZINC000878378074 1015015396 /nfs/dbraw/zinc/01/53/96/1015015396.db2.gz DJHRJQHJYWUMOE-QFIPXVFZSA-N 1 2 367.493 2.760 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCN(C(=O)C2CC2)CC1(C)C)c1ccccc1 ZINC000878378074 1015015410 /nfs/dbraw/zinc/01/54/10/1015015410.db2.gz DJHRJQHJYWUMOE-QFIPXVFZSA-N 1 2 367.493 2.760 20 30 FFEDLO CCCn1ncnc1C[N@@H+]1CC[C@@]2(CNC(=O)C#CC(C)(C)C)CCC[C@@H]12 ZINC001107399998 984507581 /nfs/dbraw/zinc/50/75/81/984507581.db2.gz UYWZZJSCYSEEKP-DYESRHJHSA-N 1 2 371.529 2.598 20 30 FFEDLO CCCn1ncnc1C[N@H+]1CC[C@@]2(CNC(=O)C#CC(C)(C)C)CCC[C@@H]12 ZINC001107399998 984507585 /nfs/dbraw/zinc/50/75/85/984507585.db2.gz UYWZZJSCYSEEKP-DYESRHJHSA-N 1 2 371.529 2.598 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ncoc3C(C)C)[C@@H]2C)c1 ZINC001088846532 984982674 /nfs/dbraw/zinc/98/26/74/984982674.db2.gz SYMWPLFIFPOCIH-PBHICJAKSA-N 1 2 352.438 2.567 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ncoc3C(C)C)[C@@H]2C)c1 ZINC001088846532 984982680 /nfs/dbraw/zinc/98/26/80/984982680.db2.gz SYMWPLFIFPOCIH-PBHICJAKSA-N 1 2 352.438 2.567 20 30 FFEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(Cl)s3)[C@@H]2C)nn1 ZINC001088906739 985415129 /nfs/dbraw/zinc/41/51/29/985415129.db2.gz JROLETJDACFDPU-YPMHNXCESA-N 1 2 365.890 2.572 20 30 FFEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(Cl)s3)[C@@H]2C)nn1 ZINC001088906739 985415133 /nfs/dbraw/zinc/41/51/33/985415133.db2.gz JROLETJDACFDPU-YPMHNXCESA-N 1 2 365.890 2.572 20 30 FFEDLO C[C@H]1C[N@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)[C@@H]1c1ccccc1 ZINC000173456619 985836096 /nfs/dbraw/zinc/83/60/96/985836096.db2.gz JHVWGQWXRWEQSK-KKSFZXQISA-N 1 2 374.444 2.973 20 30 FFEDLO C[C@H]1C[N@@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)[C@@H]1c1ccccc1 ZINC000173456619 985836121 /nfs/dbraw/zinc/83/61/21/985836121.db2.gz JHVWGQWXRWEQSK-KKSFZXQISA-N 1 2 374.444 2.973 20 30 FFEDLO CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001089016375 985912964 /nfs/dbraw/zinc/91/29/64/985912964.db2.gz XATWSZXMQJQEPA-BEFAXECRSA-N 1 2 364.449 2.745 20 30 FFEDLO CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001089016375 985912973 /nfs/dbraw/zinc/91/29/73/985912973.db2.gz XATWSZXMQJQEPA-BEFAXECRSA-N 1 2 364.449 2.745 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001089034696 986042337 /nfs/dbraw/zinc/04/23/37/986042337.db2.gz JYFQWPSKSFSIDN-ACJLOTCBSA-N 1 2 352.438 2.810 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001089034696 986042348 /nfs/dbraw/zinc/04/23/48/986042348.db2.gz JYFQWPSKSFSIDN-ACJLOTCBSA-N 1 2 352.438 2.810 20 30 FFEDLO N#Cc1ccccc1N1CCC(NC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000878774772 1015211301 /nfs/dbraw/zinc/21/13/01/1015211301.db2.gz UYTYTDZAVVWYJK-UHFFFAOYSA-N 1 2 360.421 2.996 20 30 FFEDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2nn(C)cc2C#N)CC1 ZINC000878875837 1015262766 /nfs/dbraw/zinc/26/27/66/1015262766.db2.gz MQXSJYHIPXKZNV-KRWDZBQOSA-N 1 2 370.432 2.732 20 30 FFEDLO N#Cc1c(C#N)c2c(nc1NCC1([NH+]3CCCC3)COC1)CCCCCC2 ZINC001168443425 986956800 /nfs/dbraw/zinc/95/68/00/986956800.db2.gz HXMQTOXNVJMADX-UHFFFAOYSA-N 1 2 365.481 2.761 20 30 FFEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000878888713 1015270205 /nfs/dbraw/zinc/27/02/05/1015270205.db2.gz ODRCKEUYEYQJHO-GHTZIAJQSA-N 1 2 355.482 2.915 20 30 FFEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000878888713 1015270212 /nfs/dbraw/zinc/27/02/12/1015270212.db2.gz ODRCKEUYEYQJHO-GHTZIAJQSA-N 1 2 355.482 2.915 20 30 FFEDLO C=CCCC(=O)N(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001060502977 987840834 /nfs/dbraw/zinc/84/08/34/987840834.db2.gz OWJSONFWWQUTPV-QZTJIDSGSA-N 1 2 366.465 2.754 20 30 FFEDLO C=CCCC(=O)N(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001060502977 987840839 /nfs/dbraw/zinc/84/08/39/987840839.db2.gz OWJSONFWWQUTPV-QZTJIDSGSA-N 1 2 366.465 2.754 20 30 FFEDLO C=CCC1(O)CCN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000888425927 987899916 /nfs/dbraw/zinc/89/99/16/987899916.db2.gz FGINQTKUNPCDAA-GOSISDBHSA-N 1 2 368.481 2.817 20 30 FFEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673284014 987966125 /nfs/dbraw/zinc/96/61/25/987966125.db2.gz VLKANHFSTCOUOD-HXUWFJFHSA-N 1 2 363.461 2.504 20 30 FFEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673284014 987966129 /nfs/dbraw/zinc/96/61/29/987966129.db2.gz VLKANHFSTCOUOD-HXUWFJFHSA-N 1 2 363.461 2.504 20 30 FFEDLO COc1ccccc1[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1nccn1C ZINC000763233112 989247304 /nfs/dbraw/zinc/24/73/04/989247304.db2.gz KOTBQDOLFXJVLF-AZUAARDMSA-N 1 2 362.433 2.713 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000994239339 989709128 /nfs/dbraw/zinc/70/91/28/989709128.db2.gz GSBXCQVYLJGZOP-IUSZMWJPSA-N 1 2 368.481 2.990 20 30 FFEDLO COc1ccc(CNC(=S)NN=Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000917025756 990096860 /nfs/dbraw/zinc/09/68/60/990096860.db2.gz CZOALKZPWVZRLY-UHFFFAOYSA-N 1 2 365.462 2.879 20 30 FFEDLO C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1cnn(-c2ccccc2)n1 ZINC000917112264 990138440 /nfs/dbraw/zinc/13/84/40/990138440.db2.gz HFEOHCLPRXXNJH-UHFFFAOYSA-N 1 2 366.450 2.661 20 30 FFEDLO C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1cnn(-c2ccccc2)n1 ZINC000917112264 990138444 /nfs/dbraw/zinc/13/84/44/990138444.db2.gz HFEOHCLPRXXNJH-UHFFFAOYSA-N 1 2 366.450 2.661 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3nc4ccccc4o3)C[C@@H]2O)CC1 ZINC001083754388 990144604 /nfs/dbraw/zinc/14/46/04/990144604.db2.gz ORMXZZPGQHAQLJ-QGTPRVQTSA-N 1 2 369.465 2.797 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3nc4ccccc4o3)C[C@@H]2O)CC1 ZINC001083754388 990144607 /nfs/dbraw/zinc/14/46/07/990144607.db2.gz ORMXZZPGQHAQLJ-QGTPRVQTSA-N 1 2 369.465 2.797 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CC(C)(C)C1CC1 ZINC001212225164 990149221 /nfs/dbraw/zinc/14/92/21/990149221.db2.gz CYFOVIIRRLNROX-IAGOWNOFSA-N 1 2 361.511 2.761 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CC(C)(C)C1CC1 ZINC001212225164 990149224 /nfs/dbraw/zinc/14/92/24/990149224.db2.gz CYFOVIIRRLNROX-IAGOWNOFSA-N 1 2 361.511 2.761 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129148156 990439845 /nfs/dbraw/zinc/43/98/45/990439845.db2.gz XUTXCWDUXRTDLL-OTWHNJEPSA-N 1 2 359.518 2.640 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129148156 990439849 /nfs/dbraw/zinc/43/98/49/990439849.db2.gz XUTXCWDUXRTDLL-OTWHNJEPSA-N 1 2 359.518 2.640 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1n1ccnn1 ZINC001129184592 990482601 /nfs/dbraw/zinc/48/26/01/990482601.db2.gz IENGJJGNCCGOTN-IPELMVKDSA-N 1 2 371.460 2.561 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1n1ccnn1 ZINC001129184592 990482604 /nfs/dbraw/zinc/48/26/04/990482604.db2.gz IENGJJGNCCGOTN-IPELMVKDSA-N 1 2 371.460 2.561 20 30 FFEDLO N#CCCCOc1cccc(C[NH2+]C2(c3ncccn3)CCOCC2)c1 ZINC000923008922 990789880 /nfs/dbraw/zinc/78/98/80/990789880.db2.gz AOTWTHPAHRQUMU-UHFFFAOYSA-N 1 2 352.438 2.955 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879549739 1015584858 /nfs/dbraw/zinc/58/48/58/1015584858.db2.gz XJTCWRBGLUYNCL-LJQANCHMSA-N 1 2 359.474 2.571 20 30 FFEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)N1CCc2ccccc21 ZINC000920758585 990915362 /nfs/dbraw/zinc/91/53/62/990915362.db2.gz KHVZCEFMLOZPPU-SFHVURJKSA-N 1 2 374.488 2.654 20 30 FFEDLO C[C@@H](NC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000920875901 990930047 /nfs/dbraw/zinc/93/00/47/990930047.db2.gz TXZULNRUPZAPFT-IXDOHACOSA-N 1 2 366.469 2.561 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N(C)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001006015612 991012711 /nfs/dbraw/zinc/01/27/11/991012711.db2.gz WEWFNOWABHBAOL-KUHUBIRLSA-N 1 2 359.445 2.545 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2cc(C)on2)CC1 ZINC001006103911 991172384 /nfs/dbraw/zinc/17/23/84/991172384.db2.gz OOKZCNDXCXZOFL-OALUTQOASA-N 1 2 361.486 2.777 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001063562862 991510859 /nfs/dbraw/zinc/51/08/59/991510859.db2.gz WUMVJUMFKJCOQC-ZACQAIPSSA-N 1 2 358.486 2.902 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]2C)on1 ZINC001079412981 992077089 /nfs/dbraw/zinc/07/70/89/992077089.db2.gz JVCIGAKZITWWSD-CXAGYDPISA-N 1 2 357.841 2.738 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]2C)on1 ZINC001079412981 992077094 /nfs/dbraw/zinc/07/70/94/992077094.db2.gz JVCIGAKZITWWSD-CXAGYDPISA-N 1 2 357.841 2.738 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2F)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588468 992231656 /nfs/dbraw/zinc/23/16/56/992231656.db2.gz HFPBTWYKTUTUAF-BDJLRTHQSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2F)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588468 992231660 /nfs/dbraw/zinc/23/16/60/992231660.db2.gz HFPBTWYKTUTUAF-BDJLRTHQSA-N 1 2 360.820 2.929 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+](Cc2ccn(CC)n2)C[C@H]1C ZINC001079977762 992638009 /nfs/dbraw/zinc/63/80/09/992638009.db2.gz IKJHRJLWORYPMY-VQIMIIECSA-N 1 2 368.481 2.718 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccn(CC)n2)C[C@H]1C ZINC001079977762 992638013 /nfs/dbraw/zinc/63/80/13/992638013.db2.gz IKJHRJLWORYPMY-VQIMIIECSA-N 1 2 368.481 2.718 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c(C)cncc2C)C1 ZINC001080127090 992761029 /nfs/dbraw/zinc/76/10/29/992761029.db2.gz HTUVHMMJPWLLAW-TZMCWYRMSA-N 1 2 352.276 2.657 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(C)cncc2C)C1 ZINC001080127090 992761035 /nfs/dbraw/zinc/76/10/35/992761035.db2.gz HTUVHMMJPWLLAW-TZMCWYRMSA-N 1 2 352.276 2.657 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1cc(C2CC2)on1 ZINC001080216865 992835695 /nfs/dbraw/zinc/83/56/95/992835695.db2.gz HCQURONMOWJWLY-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1cc(C2CC2)on1 ZINC001080216865 992835697 /nfs/dbraw/zinc/83/56/97/992835697.db2.gz HCQURONMOWJWLY-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccnc(Cl)c3)C[C@H]2C)cc1 ZINC001080244705 992868787 /nfs/dbraw/zinc/86/87/87/992868787.db2.gz HTIZXUYOABWIFD-RDTXWAMCSA-N 1 2 353.853 2.967 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccnc(Cl)c3)C[C@H]2C)cc1 ZINC001080244705 992868792 /nfs/dbraw/zinc/86/87/92/992868792.db2.gz HTIZXUYOABWIFD-RDTXWAMCSA-N 1 2 353.853 2.967 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001080465644 993072688 /nfs/dbraw/zinc/07/26/88/993072688.db2.gz DNAPWAMNEQGFCL-RGCFKVTRSA-N 1 2 360.885 2.553 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001080465644 993072694 /nfs/dbraw/zinc/07/26/94/993072694.db2.gz DNAPWAMNEQGFCL-RGCFKVTRSA-N 1 2 360.885 2.553 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)c(C)o1 ZINC001080664411 993256760 /nfs/dbraw/zinc/25/67/60/993256760.db2.gz WVKGBWBQNHRKDI-PIGZYNQJSA-N 1 2 356.401 2.553 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)c(C)o1 ZINC001080664411 993256766 /nfs/dbraw/zinc/25/67/66/993256766.db2.gz WVKGBWBQNHRKDI-PIGZYNQJSA-N 1 2 356.401 2.553 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)o1 ZINC001080722451 993330364 /nfs/dbraw/zinc/33/03/64/993330364.db2.gz JVNBVOKPJKUHIK-CXAGYDPISA-N 1 2 352.438 2.667 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)o1 ZINC001080722451 993330371 /nfs/dbraw/zinc/33/03/71/993330371.db2.gz JVNBVOKPJKUHIK-CXAGYDPISA-N 1 2 352.438 2.667 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(O)ccc3Cl)C[C@H]2C)cn1 ZINC001080809235 993369891 /nfs/dbraw/zinc/36/98/91/993369891.db2.gz HRDPXCMZAXMAMD-BFUOFWGJSA-N 1 2 369.852 2.672 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cc(O)ccc3Cl)C[C@H]2C)cn1 ZINC001080809235 993369898 /nfs/dbraw/zinc/36/98/98/993369898.db2.gz HRDPXCMZAXMAMD-BFUOFWGJSA-N 1 2 369.852 2.672 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001080850508 993413236 /nfs/dbraw/zinc/41/32/36/993413236.db2.gz SADILAHKWSRJKM-DNVCBOLYSA-N 1 2 367.518 2.866 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001080850508 993413239 /nfs/dbraw/zinc/41/32/39/993413239.db2.gz SADILAHKWSRJKM-DNVCBOLYSA-N 1 2 367.518 2.866 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]Cc3nnc(C)o3)C2)C1 ZINC001081176742 993736783 /nfs/dbraw/zinc/73/67/83/993736783.db2.gz HYJMHUWOLKUQJH-ZWKOTPCHSA-N 1 2 366.465 2.819 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1C(C)(C)C1(C)C ZINC001081495266 993851014 /nfs/dbraw/zinc/85/10/14/993851014.db2.gz AXKZKMKCCBRUCX-HUUCEWRRSA-N 1 2 361.511 2.617 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1C(C)(C)C1(C)C ZINC001081495266 993851022 /nfs/dbraw/zinc/85/10/22/993851022.db2.gz AXKZKMKCCBRUCX-HUUCEWRRSA-N 1 2 361.511 2.617 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@]1(C)CC=CCC1 ZINC001081730359 993940203 /nfs/dbraw/zinc/94/02/03/993940203.db2.gz JERACDTXKSCZQO-SFHLNBCPSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@]1(C)CC=CCC1 ZINC001081730359 993940214 /nfs/dbraw/zinc/94/02/14/993940214.db2.gz JERACDTXKSCZQO-SFHLNBCPSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@H]1C=CCCC1 ZINC001081847204 994018973 /nfs/dbraw/zinc/01/89/73/994018973.db2.gz XTGJGRPXZRSDGE-PWRODBHTSA-N 1 2 352.478 2.600 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@H]1C=CCCC1 ZINC001081847204 994018978 /nfs/dbraw/zinc/01/89/78/994018978.db2.gz XTGJGRPXZRSDGE-PWRODBHTSA-N 1 2 352.478 2.600 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)C1CCC1 ZINC001081991162 994090334 /nfs/dbraw/zinc/09/03/34/994090334.db2.gz MLNPDMAJEQKUAH-WOJBJXKFSA-N 1 2 354.494 2.680 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)C1CCC1 ZINC001081991162 994090344 /nfs/dbraw/zinc/09/03/44/994090344.db2.gz MLNPDMAJEQKUAH-WOJBJXKFSA-N 1 2 354.494 2.680 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H](C)c1ccsc1 ZINC001082125091 994179411 /nfs/dbraw/zinc/17/94/11/994179411.db2.gz ISVYWCVIYLAYOT-NIKGAXFTSA-N 1 2 369.490 2.739 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H](C)c1ccsc1 ZINC001082125091 994179415 /nfs/dbraw/zinc/17/94/15/994179415.db2.gz ISVYWCVIYLAYOT-NIKGAXFTSA-N 1 2 369.490 2.739 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C)cc1C ZINC001082353873 994427281 /nfs/dbraw/zinc/42/72/81/994427281.db2.gz SEWUSXAFFMQALQ-FGZHOGPDSA-N 1 2 362.473 2.784 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C)cc1C ZINC001082353873 994427288 /nfs/dbraw/zinc/42/72/88/994427288.db2.gz SEWUSXAFFMQALQ-FGZHOGPDSA-N 1 2 362.473 2.784 20 30 FFEDLO N#C[C@H](C(=O)Cc1c[nH+]cn1Cc1ccccc1)c1nnc2n1CCCCC2 ZINC000810536672 994822034 /nfs/dbraw/zinc/82/20/34/994822034.db2.gz VSXRSJZDJXOMPM-GOSISDBHSA-N 1 2 374.448 2.668 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3cccc(C#N)c3C)C2)cc1 ZINC001132383338 994864283 /nfs/dbraw/zinc/86/42/83/994864283.db2.gz ULKFVRBRBDSHBV-FQEVSTJZSA-N 1 2 363.461 2.806 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)c3cccc(C#N)c3C)C2)cc1 ZINC001132383338 994864289 /nfs/dbraw/zinc/86/42/89/994864289.db2.gz ULKFVRBRBDSHBV-FQEVSTJZSA-N 1 2 363.461 2.806 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000826704480 1015976123 /nfs/dbraw/zinc/97/61/23/1015976123.db2.gz UFAMQMCQGKEKHH-UZLBHIALSA-N 1 2 357.454 2.551 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000826704480 1015976132 /nfs/dbraw/zinc/97/61/32/1015976132.db2.gz UFAMQMCQGKEKHH-UZLBHIALSA-N 1 2 357.454 2.551 20 30 FFEDLO N#Cc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)C4CCCCC4)[C@H]3C2)ccc1F ZINC001082984924 995974545 /nfs/dbraw/zinc/97/45/45/995974545.db2.gz BRZUGIIPIPWAMP-VQTJNVASSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)C4CCCCC4)[C@H]3C2)ccc1F ZINC001082984924 995974552 /nfs/dbraw/zinc/97/45/52/995974552.db2.gz BRZUGIIPIPWAMP-VQTJNVASSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)CC4=CCCCC4)[C@H]3C2)s1 ZINC001083024906 996018819 /nfs/dbraw/zinc/01/88/19/996018819.db2.gz FOACPZWMHRTQQD-RBUKOAKNSA-N 1 2 371.506 2.922 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)CC4=CCCCC4)[C@H]3C2)s1 ZINC001083024906 996018824 /nfs/dbraw/zinc/01/88/24/996018824.db2.gz FOACPZWMHRTQQD-RBUKOAKNSA-N 1 2 371.506 2.922 20 30 FFEDLO C/C=C(/C)C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC001083043115 996040475 /nfs/dbraw/zinc/04/04/75/996040475.db2.gz UONWBCJQPOQRMP-PZXAFMGGSA-N 1 2 358.869 2.569 20 30 FFEDLO C/C=C(/C)C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC001083043115 996040478 /nfs/dbraw/zinc/04/04/78/996040478.db2.gz UONWBCJQPOQRMP-PZXAFMGGSA-N 1 2 358.869 2.569 20 30 FFEDLO C[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21)C1CCC1 ZINC001083118273 996067028 /nfs/dbraw/zinc/06/70/28/996067028.db2.gz ADVQKJHHNQVMSG-VOBQZIQPSA-N 1 2 371.456 2.545 20 30 FFEDLO C[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21)C1CCC1 ZINC001083118273 996067032 /nfs/dbraw/zinc/06/70/32/996067032.db2.gz ADVQKJHHNQVMSG-VOBQZIQPSA-N 1 2 371.456 2.545 20 30 FFEDLO Cc1nc(C)c(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)o1 ZINC001084252054 996356877 /nfs/dbraw/zinc/35/68/77/996356877.db2.gz FBXJWXQVWMHAJP-IEBWSBKVSA-N 1 2 367.424 2.629 20 30 FFEDLO Cc1nc(C)c(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)o1 ZINC001084252054 996356883 /nfs/dbraw/zinc/35/68/83/996356883.db2.gz FBXJWXQVWMHAJP-IEBWSBKVSA-N 1 2 367.424 2.629 20 30 FFEDLO Cc1cncc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)c1 ZINC001084252030 996357367 /nfs/dbraw/zinc/35/73/67/996357367.db2.gz CYFYCRVIVWTSDU-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cncc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)c1 ZINC001084252030 996357371 /nfs/dbraw/zinc/35/73/71/996357371.db2.gz CYFYCRVIVWTSDU-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO N#Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccnc(F)c4)[C@@H]3C2)ccc1F ZINC001084224672 996372763 /nfs/dbraw/zinc/37/27/63/996372763.db2.gz IHIKQIVMFVPISO-CRAIPNDOSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccnc(F)c4)[C@@H]3C2)ccc1F ZINC001084224672 996372765 /nfs/dbraw/zinc/37/27/65/996372765.db2.gz IHIKQIVMFVPISO-CRAIPNDOSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cscn4)[C@@H]3C2)c1 ZINC001084228601 996376852 /nfs/dbraw/zinc/37/68/52/996376852.db2.gz METRNGZRWOELDN-CXAGYDPISA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)c4cscn4)[C@@H]3C2)c1 ZINC001084228601 996376857 /nfs/dbraw/zinc/37/68/57/996376857.db2.gz METRNGZRWOELDN-CXAGYDPISA-N 1 2 356.426 2.500 20 30 FFEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3coc(-c4ccccc4)n3)C[C@H]21 ZINC001084232828 996382074 /nfs/dbraw/zinc/38/20/74/996382074.db2.gz JMLDKNKBNHBYDE-QGPMSJSTSA-N 1 2 350.422 2.534 20 30 FFEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3coc(-c4ccccc4)n3)C[C@H]21 ZINC001084232828 996382078 /nfs/dbraw/zinc/38/20/78/996382078.db2.gz JMLDKNKBNHBYDE-QGPMSJSTSA-N 1 2 350.422 2.534 20 30 FFEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(F)ccc4F)C[C@H]32)c[nH]1 ZINC001084288839 996393733 /nfs/dbraw/zinc/39/37/33/996393733.db2.gz CKMUPAYNACKKHI-KZULUSFZSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(F)ccc4F)C[C@H]32)c[nH]1 ZINC001084288839 996393740 /nfs/dbraw/zinc/39/37/40/996393740.db2.gz CKMUPAYNACKKHI-KZULUSFZSA-N 1 2 356.376 2.511 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4cccc(Cl)c4)C[C@H]32)co1 ZINC001084297233 996402927 /nfs/dbraw/zinc/40/29/27/996402927.db2.gz UNDDCNWSEATERP-VQIMIIECSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4cccc(Cl)c4)C[C@H]32)co1 ZINC001084297233 996402929 /nfs/dbraw/zinc/40/29/29/996402929.db2.gz UNDDCNWSEATERP-VQIMIIECSA-N 1 2 369.852 2.834 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cnc(C4CC4)o3)[C@@H]2C1 ZINC001084415003 996515649 /nfs/dbraw/zinc/51/56/49/996515649.db2.gz AOVWWDIYNLYHFB-QZTJIDSGSA-N 1 2 362.433 2.770 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc(C4CC4)o3)[C@@H]2C1 ZINC001084415003 996515655 /nfs/dbraw/zinc/51/56/55/996515655.db2.gz AOVWWDIYNLYHFB-QZTJIDSGSA-N 1 2 362.433 2.770 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)c3ncc(C)o3)C[C@H]21 ZINC001084408617 996553681 /nfs/dbraw/zinc/55/36/81/996553681.db2.gz ROSZKQIBKBIHMM-LZLYRXPVSA-N 1 2 354.454 2.878 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[N@H+]([C@@H](C)c3ncc(C)o3)C[C@H]21 ZINC001084408617 996553685 /nfs/dbraw/zinc/55/36/85/996553685.db2.gz ROSZKQIBKBIHMM-LZLYRXPVSA-N 1 2 354.454 2.878 20 30 FFEDLO C=CCOc1ccccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3cnc(C)o3)C[C@H]21 ZINC001084460400 996571266 /nfs/dbraw/zinc/57/12/66/996571266.db2.gz WGCUETPYTKWADB-VQIMIIECSA-N 1 2 367.449 2.894 20 30 FFEDLO C=CCOc1ccccc1C(=O)N1C[C@H]2CC[N@H+](Cc3cnc(C)o3)C[C@H]21 ZINC001084460400 996571270 /nfs/dbraw/zinc/57/12/70/996571270.db2.gz WGCUETPYTKWADB-VQIMIIECSA-N 1 2 367.449 2.894 20 30 FFEDLO Cc1n[nH]cc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084563362 996691797 /nfs/dbraw/zinc/69/17/97/996691797.db2.gz CWYALUNNMRAZSH-VQIMIIECSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1n[nH]cc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084563362 996691803 /nfs/dbraw/zinc/69/18/03/996691803.db2.gz CWYALUNNMRAZSH-VQIMIIECSA-N 1 2 368.868 2.570 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCN(c4ccccc4)C3=O)C[C@H]21 ZINC001084578052 996692645 /nfs/dbraw/zinc/69/26/45/996692645.db2.gz HKXKMBDRUFBVSR-BHIYHBOVSA-N 1 2 367.493 2.537 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCN(c4ccccc4)C3=O)C[C@H]21 ZINC001084578052 996692647 /nfs/dbraw/zinc/69/26/47/996692647.db2.gz HKXKMBDRUFBVSR-BHIYHBOVSA-N 1 2 367.493 2.537 20 30 FFEDLO Cc1coc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)c1 ZINC001084594283 996713727 /nfs/dbraw/zinc/71/37/27/996713727.db2.gz BBXHIVPCCRKRGV-SJLPKXTDSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1coc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)c1 ZINC001084594283 996713732 /nfs/dbraw/zinc/71/37/32/996713732.db2.gz BBXHIVPCCRKRGV-SJLPKXTDSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1coc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)c1 ZINC001084594590 996713828 /nfs/dbraw/zinc/71/38/28/996713828.db2.gz OAZLIDWJMINKJT-IEBWSBKVSA-N 1 2 352.409 2.925 20 30 FFEDLO Cc1coc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)c1 ZINC001084594590 996713832 /nfs/dbraw/zinc/71/38/32/996713832.db2.gz OAZLIDWJMINKJT-IEBWSBKVSA-N 1 2 352.409 2.925 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(Cl)cc4)C[C@H]32)O1 ZINC001084673430 996825042 /nfs/dbraw/zinc/82/50/42/996825042.db2.gz XOXYNXFYVBFKET-RARDXLECSA-N 1 2 372.896 2.792 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(Cl)cc4)C[C@H]32)O1 ZINC001084673430 996825048 /nfs/dbraw/zinc/82/50/48/996825048.db2.gz XOXYNXFYVBFKET-RARDXLECSA-N 1 2 372.896 2.792 20 30 FFEDLO Nc1nc(Cl)c(C=[NH+][N-]c2cc[nH+]c3ccccc23)c(N2CCCC2)n1 ZINC000730148589 996896425 /nfs/dbraw/zinc/89/64/25/996896425.db2.gz YHNLUQMWZIMMLR-UHFFFAOYSA-N 1 2 367.844 2.729 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn4ccccc34)[C@@H]2C1 ZINC001084725574 997085775 /nfs/dbraw/zinc/08/57/75/997085775.db2.gz HFAANFYGXDOGQD-WIYYLYMNSA-N 1 2 371.444 2.552 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn4ccccc34)[C@@H]2C1 ZINC001084725574 997085785 /nfs/dbraw/zinc/08/57/85/997085785.db2.gz HFAANFYGXDOGQD-WIYYLYMNSA-N 1 2 371.444 2.552 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4nccs4)[C@@H]3C2)cc1F ZINC001084735976 997140051 /nfs/dbraw/zinc/14/00/51/997140051.db2.gz OMKOIMDTWWGPLM-GDBMZVCRSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4nccs4)[C@@H]3C2)cc1F ZINC001084735976 997140058 /nfs/dbraw/zinc/14/00/58/997140058.db2.gz OMKOIMDTWWGPLM-GDBMZVCRSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ncccc4F)[C@@H]3C2)c1 ZINC001084739252 997142685 /nfs/dbraw/zinc/14/26/85/997142685.db2.gz ALUPKNNUWWJUEL-RDTXWAMCSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)c4ncccc4F)[C@@H]3C2)c1 ZINC001084739252 997142692 /nfs/dbraw/zinc/14/26/92/997142692.db2.gz ALUPKNNUWWJUEL-RDTXWAMCSA-N 1 2 368.387 2.578 20 30 FFEDLO Cc1cnoc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084753898 997208800 /nfs/dbraw/zinc/20/88/00/997208800.db2.gz LVQARCRZHQXOOU-SJLPKXTDSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1cnoc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084753898 997208809 /nfs/dbraw/zinc/20/88/09/997208809.db2.gz LVQARCRZHQXOOU-SJLPKXTDSA-N 1 2 369.852 2.834 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(Cl)cn3)[C@@H]2C1 ZINC001084786994 997356697 /nfs/dbraw/zinc/35/66/97/997356697.db2.gz TVVUHUULEZLBSR-VQIMIIECSA-N 1 2 366.852 2.953 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Cl)cn3)[C@@H]2C1 ZINC001084786994 997356706 /nfs/dbraw/zinc/35/67/06/997356706.db2.gz TVVUHUULEZLBSR-VQIMIIECSA-N 1 2 366.852 2.953 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(COC)c(F)c3)[C@@H]2C1 ZINC001084795015 997415745 /nfs/dbraw/zinc/41/57/45/997415745.db2.gz HFCIWSAMQWKZCR-RHSMWYFYSA-N 1 2 352.837 2.871 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(COC)c(F)c3)[C@@H]2C1 ZINC001084795015 997415748 /nfs/dbraw/zinc/41/57/48/997415748.db2.gz HFCIWSAMQWKZCR-RHSMWYFYSA-N 1 2 352.837 2.871 20 30 FFEDLO CCc1onc(C)c1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084823508 997553598 /nfs/dbraw/zinc/55/35/98/997553598.db2.gz CSYSBQBOWRZNLC-QZTJIDSGSA-N 1 2 364.449 2.764 20 30 FFEDLO CCc1onc(C)c1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084823508 997553609 /nfs/dbraw/zinc/55/36/09/997553609.db2.gz CSYSBQBOWRZNLC-QZTJIDSGSA-N 1 2 364.449 2.764 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CCCOC4)[C@@H]3C2)c(F)c1 ZINC001084836889 997603866 /nfs/dbraw/zinc/60/38/66/997603866.db2.gz SGKTUPVURCROIT-ILZDJORESA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CCCOC4)[C@@H]3C2)c(F)c1 ZINC001084836889 997603873 /nfs/dbraw/zinc/60/38/73/997603873.db2.gz SGKTUPVURCROIT-ILZDJORESA-N 1 2 371.456 2.547 20 30 FFEDLO O=C(c1cc[nH]n1)N1CC[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC001084895223 997928187 /nfs/dbraw/zinc/92/81/87/997928187.db2.gz SRPNVBPFCJMFIC-APWZRJJASA-N 1 2 368.868 2.651 20 30 FFEDLO O=C(c1cc[nH]n1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC001084895223 997928198 /nfs/dbraw/zinc/92/81/98/997928198.db2.gz SRPNVBPFCJMFIC-APWZRJJASA-N 1 2 368.868 2.651 20 30 FFEDLO O=C(c1ccn[nH]1)N1CC[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC001084895223 997928210 /nfs/dbraw/zinc/92/82/10/997928210.db2.gz SRPNVBPFCJMFIC-APWZRJJASA-N 1 2 368.868 2.651 20 30 FFEDLO O=C(c1ccn[nH]1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC001084895223 997928216 /nfs/dbraw/zinc/92/82/16/997928216.db2.gz SRPNVBPFCJMFIC-APWZRJJASA-N 1 2 368.868 2.651 20 30 FFEDLO CCc1cc2c(C[NH+]3CCN([C@H](C#N)C(C)C)CC3)cc(=O)oc2cc1O ZINC000731846757 998272683 /nfs/dbraw/zinc/27/26/83/998272683.db2.gz NTVLMFSAJLJNRU-GOSISDBHSA-N 1 2 369.465 2.727 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCO[C@@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@@H]21 ZINC001091051759 998340981 /nfs/dbraw/zinc/34/09/81/998340981.db2.gz KRTFPILZUBJJCR-DLBZAZTESA-N 1 2 370.497 2.681 20 30 FFEDLO C#CC1(O)CC[NH+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000820345721 998351766 /nfs/dbraw/zinc/35/17/66/998351766.db2.gz JRIIIVSMEWGKGM-UHFFFAOYSA-N 1 2 351.328 2.716 20 30 FFEDLO COC1CC(C(=O)N2CC[C@H]3CC[N@H+](Cc4cc(F)ccc4C#N)[C@H]3C2)C1 ZINC001084966491 998393776 /nfs/dbraw/zinc/39/37/76/998393776.db2.gz NANMLONXULEFMS-MYOMJNTOSA-N 1 2 371.456 2.545 20 30 FFEDLO COC1CC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cc(F)ccc4C#N)[C@H]3C2)C1 ZINC001084966491 998393785 /nfs/dbraw/zinc/39/37/85/998393785.db2.gz NANMLONXULEFMS-MYOMJNTOSA-N 1 2 371.456 2.545 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cc(F)ccc2C#N)O1 ZINC001049732808 1016215008 /nfs/dbraw/zinc/21/50/08/1016215008.db2.gz RJERTHCAUVRMHH-PPRPKMEESA-N 1 2 371.456 2.830 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3Cc2cc(F)ccc2C#N)O1 ZINC001049732808 1016215015 /nfs/dbraw/zinc/21/50/15/1016215015.db2.gz RJERTHCAUVRMHH-PPRPKMEESA-N 1 2 371.456 2.830 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000732118879 998470006 /nfs/dbraw/zinc/47/00/06/998470006.db2.gz MJDGRRWNIYYXKD-KRWDZBQOSA-N 1 2 366.421 2.562 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000732118879 998470015 /nfs/dbraw/zinc/47/00/15/998470015.db2.gz MJDGRRWNIYYXKD-KRWDZBQOSA-N 1 2 366.421 2.562 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)c4ccccc4[nH]3)C[C@@H]21 ZINC001084983502 998530026 /nfs/dbraw/zinc/53/00/26/998530026.db2.gz SQVGPWJBBJOIGU-KDOFPFPSSA-N 1 2 371.868 2.817 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)c4ccccc4[nH]3)C[C@@H]21 ZINC001084983502 998530036 /nfs/dbraw/zinc/53/00/36/998530036.db2.gz SQVGPWJBBJOIGU-KDOFPFPSSA-N 1 2 371.868 2.817 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C/C(Cl)=C\Cl)[C@H]3C2)nc1 ZINC001085078315 998864196 /nfs/dbraw/zinc/86/41/96/998864196.db2.gz MUVFTXNVAZHPMI-VNHWOPEZSA-N 1 2 364.276 2.918 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C/C(Cl)=C\Cl)[C@H]3C2)nc1 ZINC001085078315 998864202 /nfs/dbraw/zinc/86/42/02/998864202.db2.gz MUVFTXNVAZHPMI-VNHWOPEZSA-N 1 2 364.276 2.918 20 30 FFEDLO C=CCCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)CC1 ZINC001065713043 999125221 /nfs/dbraw/zinc/12/52/21/999125221.db2.gz KNYULEJRLIAISR-CEXWTWQISA-N 1 2 361.530 2.524 20 30 FFEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001085830122 999647325 /nfs/dbraw/zinc/64/73/25/999647325.db2.gz PXWKVCNFHWGLHO-NMLBUPMWSA-N 1 2 372.896 2.792 20 30 FFEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001085830122 999647326 /nfs/dbraw/zinc/64/73/26/999647326.db2.gz PXWKVCNFHWGLHO-NMLBUPMWSA-N 1 2 372.896 2.792 20 30 FFEDLO N#Cc1ccccc1COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741345879 999722857 /nfs/dbraw/zinc/72/28/57/999722857.db2.gz HKTXKKCMBXAASA-HXUWFJFHSA-N 1 2 350.418 2.893 20 30 FFEDLO N#Cc1ccccc1COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741345879 999722861 /nfs/dbraw/zinc/72/28/61/999722861.db2.gz HKTXKKCMBXAASA-HXUWFJFHSA-N 1 2 350.418 2.893 20 30 FFEDLO CC[N@H+](C)[C@H](C(=O)OCC(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1 ZINC000745099946 999893009 /nfs/dbraw/zinc/89/30/09/999893009.db2.gz JJLFPHWROVXSRB-SFHVURJKSA-N 1 2 369.421 2.943 20 30 FFEDLO CC[N@@H+](C)[C@H](C(=O)OCC(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1 ZINC000745099946 999893012 /nfs/dbraw/zinc/89/30/12/999893012.db2.gz JJLFPHWROVXSRB-SFHVURJKSA-N 1 2 369.421 2.943 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001109038071 1000157318 /nfs/dbraw/zinc/15/73/18/1000157318.db2.gz LGOHPYGRQFSYSO-CZGNIMDHSA-N 1 2 370.468 2.880 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001109038071 1000157320 /nfs/dbraw/zinc/15/73/20/1000157320.db2.gz LGOHPYGRQFSYSO-CZGNIMDHSA-N 1 2 370.468 2.880 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1Br ZINC001109088351 1000162595 /nfs/dbraw/zinc/16/25/95/1000162595.db2.gz MKMSJUJNZUJXIE-YOENINGUSA-N 1 2 362.271 2.830 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1Br ZINC001109088351 1000162596 /nfs/dbraw/zinc/16/25/96/1000162596.db2.gz MKMSJUJNZUJXIE-YOENINGUSA-N 1 2 362.271 2.830 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Br)cc1 ZINC001109089179 1000166453 /nfs/dbraw/zinc/16/64/53/1000166453.db2.gz YOMHHZDPICLTNQ-FWYOQMDTSA-N 1 2 362.271 2.830 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Br)cc1 ZINC001109089179 1000166454 /nfs/dbraw/zinc/16/64/54/1000166454.db2.gz YOMHHZDPICLTNQ-FWYOQMDTSA-N 1 2 362.271 2.830 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c2ccccc2n1 ZINC001109208628 1000186744 /nfs/dbraw/zinc/18/67/44/1000186744.db2.gz WJUIUQOWBGZZEK-UXPWSPDFSA-N 1 2 362.477 2.963 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c2ccccc2n1 ZINC001109208628 1000186746 /nfs/dbraw/zinc/18/67/46/1000186746.db2.gz WJUIUQOWBGZZEK-UXPWSPDFSA-N 1 2 362.477 2.963 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1F ZINC001109213137 1000188106 /nfs/dbraw/zinc/18/81/06/1000188106.db2.gz MTMNNFHWACYQLB-FVQSIRDASA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1F ZINC001109213137 1000188108 /nfs/dbraw/zinc/18/81/08/1000188108.db2.gz MTMNNFHWACYQLB-FVQSIRDASA-N 1 2 350.409 2.513 20 30 FFEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)N3CCCCC3)CC2)cc1 ZINC000768225634 1000197391 /nfs/dbraw/zinc/19/73/91/1000197391.db2.gz JXWOQSRCVODUHV-KRWDZBQOSA-N 1 2 356.470 2.701 20 30 FFEDLO C#CCCOc1ccc(C[NH+]2CCN(C(=O)N3CCCCC3)CC2)cc1 ZINC000768227564 1000197896 /nfs/dbraw/zinc/19/78/96/1000197896.db2.gz QFBTZPHPOBJDLP-UHFFFAOYSA-N 1 2 355.482 2.812 20 30 FFEDLO N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])CC2)c1 ZINC000846108149 1000202835 /nfs/dbraw/zinc/20/28/35/1000202835.db2.gz WJGZDIXKWWNDBJ-UHFFFAOYSA-N 1 2 366.421 2.926 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1Cl ZINC001109266976 1000207757 /nfs/dbraw/zinc/20/77/57/1000207757.db2.gz KDWKBOLWEDUJOS-YVVXQTMVSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1Cl ZINC001109266976 1000207762 /nfs/dbraw/zinc/20/77/62/1000207762.db2.gz KDWKBOLWEDUJOS-YVVXQTMVSA-N 1 2 364.848 2.739 20 30 FFEDLO Cc1cc(NC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC001054531756 1016395721 /nfs/dbraw/zinc/39/57/21/1016395721.db2.gz PRYBKGBOENYMEE-MLGOLLRUSA-N 1 2 364.453 2.682 20 30 FFEDLO N#Cc1c(F)cccc1N[C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001091257075 1000340493 /nfs/dbraw/zinc/34/04/93/1000340493.db2.gz UQISHSPXFRRQHZ-IAGOWNOFSA-N 1 2 355.417 2.893 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001091289687 1000376047 /nfs/dbraw/zinc/37/60/47/1000376047.db2.gz GYXNZANIYRGHJX-FVQBIDKESA-N 1 2 360.506 2.688 20 30 FFEDLO Cc1nsc(N[C@@H]2CCCC[C@H]2NC(=O)CCc2c[nH]c[nH+]2)c1C#N ZINC001091300029 1000385205 /nfs/dbraw/zinc/38/52/05/1000385205.db2.gz QJLMRKPOMUJNAS-HUUCEWRRSA-N 1 2 358.471 2.518 20 30 FFEDLO Cc1nsc(N[C@@H]2CCCC[C@H]2NC(=O)CCc2c[nH+]c[nH]2)c1C#N ZINC001091300029 1000385211 /nfs/dbraw/zinc/38/52/11/1000385211.db2.gz QJLMRKPOMUJNAS-HUUCEWRRSA-N 1 2 358.471 2.518 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000769754814 1000589104 /nfs/dbraw/zinc/58/91/04/1000589104.db2.gz ZUSMQQCIGVLNOP-IEBWSBKVSA-N 1 2 363.465 2.667 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2ccon2)C3)c1 ZINC001109523494 1000592352 /nfs/dbraw/zinc/59/23/52/1000592352.db2.gz WRXSJMSVZOKGHL-NEWSRXKRSA-N 1 2 368.412 2.540 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2ccon2)C3)c1 ZINC001109523494 1000592353 /nfs/dbraw/zinc/59/23/53/1000592353.db2.gz WRXSJMSVZOKGHL-NEWSRXKRSA-N 1 2 368.412 2.540 20 30 FFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C(=O)OCC)sc2nc(C)cc(C)c21 ZINC000769975262 1000644911 /nfs/dbraw/zinc/64/49/11/1000644911.db2.gz BWJLWMHZQBPSJG-CYBMUJFWSA-N 1 2 373.478 2.982 20 30 FFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1c(C(=O)OCC)sc2nc(C)cc(C)c21 ZINC000769975262 1000644914 /nfs/dbraw/zinc/64/49/14/1000644914.db2.gz BWJLWMHZQBPSJG-CYBMUJFWSA-N 1 2 373.478 2.982 20 30 FFEDLO Cc1cc(N[C@@H]2CC[C@H](CNC(=O)CSCC#N)C2)nc(C(C)C)[nH+]1 ZINC001091552177 1000651689 /nfs/dbraw/zinc/65/16/89/1000651689.db2.gz IWSHQNNFZTWIKT-LSDHHAIUSA-N 1 2 361.515 2.862 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001109566450 1000652189 /nfs/dbraw/zinc/65/21/89/1000652189.db2.gz CRVBCLJONVPHQS-DRMAHVMPSA-N 1 2 363.527 2.902 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001109566450 1000652192 /nfs/dbraw/zinc/65/21/92/1000652192.db2.gz CRVBCLJONVPHQS-DRMAHVMPSA-N 1 2 363.527 2.902 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1)C1CCC1 ZINC001109573842 1000662805 /nfs/dbraw/zinc/66/28/05/1000662805.db2.gz OPTKIVCCOACFIX-GTAWCEEGSA-N 1 2 371.456 2.734 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1)C1CCC1 ZINC001109573842 1000662808 /nfs/dbraw/zinc/66/28/08/1000662808.db2.gz OPTKIVCCOACFIX-GTAWCEEGSA-N 1 2 371.456 2.734 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(OC)nc1C ZINC001109590809 1000685942 /nfs/dbraw/zinc/68/59/42/1000685942.db2.gz CIRGQUBWXXIVJI-IKGGRYGDSA-N 1 2 358.486 2.617 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(OC)nc1C ZINC001109590809 1000685951 /nfs/dbraw/zinc/68/59/51/1000685951.db2.gz CIRGQUBWXXIVJI-IKGGRYGDSA-N 1 2 358.486 2.617 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001109621321 1000726299 /nfs/dbraw/zinc/72/62/99/1000726299.db2.gz PVANSHOOBBBHQY-AEFFLSMTSA-N 1 2 358.486 2.515 20 30 FFEDLO C#CCOCCC(=O)NC[C@H]1CC[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001091608998 1000803599 /nfs/dbraw/zinc/80/35/99/1000803599.db2.gz YJHOSMCWZWOQRX-DLBZAZTESA-N 1 2 358.486 2.645 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F)C(C)C ZINC001109677037 1000820324 /nfs/dbraw/zinc/82/03/24/1000820324.db2.gz GHXWEMLXYRSKIG-BVBHFADKSA-N 1 2 359.445 2.590 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F)C(C)C ZINC001109677037 1000820326 /nfs/dbraw/zinc/82/03/26/1000820326.db2.gz GHXWEMLXYRSKIG-BVBHFADKSA-N 1 2 359.445 2.590 20 30 FFEDLO C=CCc1cccc(C[N@H+]2C[C@]3(F)CN(CC(C)C)C(=O)[C@]3(F)C2)c1O ZINC001276180881 1016488296 /nfs/dbraw/zinc/48/82/96/1016488296.db2.gz NQHBZFGEUNASNF-VQTJNVASSA-N 1 2 364.436 2.851 20 30 FFEDLO C=CCc1cccc(C[N@@H+]2C[C@]3(F)CN(CC(C)C)C(=O)[C@]3(F)C2)c1O ZINC001276180881 1016488303 /nfs/dbraw/zinc/48/83/03/1016488303.db2.gz NQHBZFGEUNASNF-VQTJNVASSA-N 1 2 364.436 2.851 20 30 FFEDLO CC[C@]1(C)C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000785494720 1001444755 /nfs/dbraw/zinc/44/47/55/1001444755.db2.gz HWKXRXQHJNWGSB-MGPUTAFESA-N 1 2 350.422 2.725 20 30 FFEDLO CC[C@]1(C)C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000785494720 1001444758 /nfs/dbraw/zinc/44/47/58/1001444758.db2.gz HWKXRXQHJNWGSB-MGPUTAFESA-N 1 2 350.422 2.725 20 30 FFEDLO COCC[N@H+](CC(=O)/C=C1/N(C)c2ccccc2C1(C)C)[C@@H]1CCOC1 ZINC000786189628 1001546195 /nfs/dbraw/zinc/54/61/95/1001546195.db2.gz JEJMBEBCFSFKGW-RBYWHNRPSA-N 1 2 358.482 2.604 20 30 FFEDLO COCC[N@@H+](CC(=O)/C=C1/N(C)c2ccccc2C1(C)C)[C@@H]1CCOC1 ZINC000786189628 1001546199 /nfs/dbraw/zinc/54/61/99/1001546199.db2.gz JEJMBEBCFSFKGW-RBYWHNRPSA-N 1 2 358.482 2.604 20 30 FFEDLO COCC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110123655 1001826174 /nfs/dbraw/zinc/82/61/74/1001826174.db2.gz LOTLEIVQJSLGQH-BIGGFVEDSA-N 1 2 359.445 2.591 20 30 FFEDLO COCC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110123655 1001826180 /nfs/dbraw/zinc/82/61/80/1001826180.db2.gz LOTLEIVQJSLGQH-BIGGFVEDSA-N 1 2 359.445 2.591 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC)C3)c1 ZINC001110292587 1001853926 /nfs/dbraw/zinc/85/39/26/1001853926.db2.gz IJPFRWJJMVIZRD-QRVBRYPASA-N 1 2 353.466 2.518 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC)C3)c1 ZINC001110292587 1001853942 /nfs/dbraw/zinc/85/39/42/1001853942.db2.gz IJPFRWJJMVIZRD-QRVBRYPASA-N 1 2 353.466 2.518 20 30 FFEDLO Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)n1C ZINC001096793509 1016550820 /nfs/dbraw/zinc/55/08/20/1016550820.db2.gz HYDVCNXZMJHYIX-QRQLOZEOSA-N 1 2 366.440 2.880 20 30 FFEDLO Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)n1C ZINC001096793509 1016550832 /nfs/dbraw/zinc/55/08/32/1016550832.db2.gz HYDVCNXZMJHYIX-QRQLOZEOSA-N 1 2 366.440 2.880 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCN(c2ncnc3c2C[N@H+](C)CC3)[C@@H]1CC ZINC001091816212 1001956054 /nfs/dbraw/zinc/95/60/54/1001956054.db2.gz LYZTUQBVLAJKFI-ZWKOTPCHSA-N 1 2 371.529 2.540 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCN(c2ncnc3c2C[N@@H+](C)CC3)[C@@H]1CC ZINC001091816212 1001956056 /nfs/dbraw/zinc/95/60/56/1001956056.db2.gz LYZTUQBVLAJKFI-ZWKOTPCHSA-N 1 2 371.529 2.540 20 30 FFEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)C[C@@H](C#N)c3c(Cl)cccc3Cl)C[C@H]21 ZINC001183106539 1002165372 /nfs/dbraw/zinc/16/53/72/1002165372.db2.gz OLRCCDNFUFYYAP-GLQYFDAESA-N 1 2 368.264 2.532 20 30 FFEDLO C[N@H+]1CCO[C@H]2CN(C(=O)C[C@@H](C#N)c3c(Cl)cccc3Cl)C[C@H]21 ZINC001183106539 1002165377 /nfs/dbraw/zinc/16/53/77/1002165377.db2.gz OLRCCDNFUFYYAP-GLQYFDAESA-N 1 2 368.264 2.532 20 30 FFEDLO C=CCCCC(=O)N[C@H]1CCN(c2[nH+]c(C)nc(-n3cccn3)c2C)[C@@H]1C ZINC001092053591 1002329931 /nfs/dbraw/zinc/32/99/31/1002329931.db2.gz YSQURJVFUZOHJQ-WBVHZDCISA-N 1 2 368.485 2.719 20 30 FFEDLO CC(C)(C)[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000790430771 1002375239 /nfs/dbraw/zinc/37/52/39/1002375239.db2.gz DIUCUKHFGPJORJ-YJBOKZPZSA-N 1 2 364.449 2.971 20 30 FFEDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000790430771 1002375251 /nfs/dbraw/zinc/37/52/51/1002375251.db2.gz DIUCUKHFGPJORJ-YJBOKZPZSA-N 1 2 364.449 2.971 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CCOCC2 ZINC001183841347 1002408322 /nfs/dbraw/zinc/40/83/22/1002408322.db2.gz MFWTUARGDRYWGF-RTBURBONSA-N 1 2 353.466 2.598 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CCOCC2 ZINC001183841347 1002408331 /nfs/dbraw/zinc/40/83/31/1002408331.db2.gz MFWTUARGDRYWGF-RTBURBONSA-N 1 2 353.466 2.598 20 30 FFEDLO CCC[C@@H](C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C#N)cn2)C1 ZINC001092313220 1002661327 /nfs/dbraw/zinc/66/13/27/1002661327.db2.gz DYAZOAQGOGGIBK-DJIMGWMZSA-N 1 2 366.469 2.529 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cccc(F)n2)C1 ZINC001092314838 1002666591 /nfs/dbraw/zinc/66/65/91/1002666591.db2.gz UVASIHWBQGKMHC-HZPDHXFCSA-N 1 2 369.444 2.554 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC)c1ccccc1 ZINC001110130739 1002717140 /nfs/dbraw/zinc/71/71/40/1002717140.db2.gz BVUUEZHKYIJJOH-ZRNYENFQSA-N 1 2 369.509 2.594 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC)c1ccccc1 ZINC001110130739 1002717144 /nfs/dbraw/zinc/71/71/44/1002717144.db2.gz BVUUEZHKYIJJOH-ZRNYENFQSA-N 1 2 369.509 2.594 20 30 FFEDLO Cc1nc(N2C[C@@H](CNC(=O)C#CC(C)(C)C)[C@H](C)C2)c2c([nH+]1)CCCC2 ZINC001092364764 1002783553 /nfs/dbraw/zinc/78/35/53/1002783553.db2.gz ZGBNLPUSTAFXJB-NVXWUHKLSA-N 1 2 368.525 2.902 20 30 FFEDLO Cc1ccncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001096911139 1016724973 /nfs/dbraw/zinc/72/49/73/1016724973.db2.gz AMDUUPZQLACYOH-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1ccncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001096911139 1016724981 /nfs/dbraw/zinc/72/49/81/1016724981.db2.gz AMDUUPZQLACYOH-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NCC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC001092563226 1003130650 /nfs/dbraw/zinc/13/06/50/1003130650.db2.gz JXESILDPLHNYAL-HUUCEWRRSA-N 1 2 370.501 2.544 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)o1 ZINC001096915476 1016729916 /nfs/dbraw/zinc/72/99/16/1016729916.db2.gz PXTBKNNVHVLBIE-QRVBRYPASA-N 1 2 367.424 2.817 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)o1 ZINC001096915476 1016729933 /nfs/dbraw/zinc/72/99/33/1016729933.db2.gz PXTBKNNVHVLBIE-QRVBRYPASA-N 1 2 367.424 2.817 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ccc(F)cc1F ZINC001110385088 1003443624 /nfs/dbraw/zinc/44/36/24/1003443624.db2.gz LHPXAFVJJAVHKK-FOZNTRSISA-N 1 2 350.409 2.950 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ccc(F)cc1F ZINC001110385088 1003443633 /nfs/dbraw/zinc/44/36/33/1003443633.db2.gz LHPXAFVJJAVHKK-FOZNTRSISA-N 1 2 350.409 2.950 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)co1 ZINC001096975380 1016795532 /nfs/dbraw/zinc/79/55/32/1016795532.db2.gz XEBADNPUUGJNNO-KYJSFNMBSA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)co1 ZINC001096975380 1016795536 /nfs/dbraw/zinc/79/55/36/1016795536.db2.gz XEBADNPUUGJNNO-KYJSFNMBSA-N 1 2 368.412 2.783 20 30 FFEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)CCCCCCCC)[C@@H](n2ccnn2)C1 ZINC001129449218 1003645333 /nfs/dbraw/zinc/64/53/33/1003645333.db2.gz JNLZIOACKAVNTE-QRVBRYPASA-N 1 2 359.518 2.640 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CCCCCCCC)[C@@H](n2ccnn2)C1 ZINC001129449218 1003645344 /nfs/dbraw/zinc/64/53/44/1003645344.db2.gz JNLZIOACKAVNTE-QRVBRYPASA-N 1 2 359.518 2.640 20 30 FFEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000804454853 1003670279 /nfs/dbraw/zinc/67/02/79/1003670279.db2.gz VKZJARZPEUFGLY-LEWJYISDSA-N 1 2 356.510 2.874 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](F)CC)C[C@@H]2n2ccnn2)CCCC1 ZINC001129490858 1003677087 /nfs/dbraw/zinc/67/70/87/1003677087.db2.gz RXQGHQWYUHFMIH-BBWFWOEESA-N 1 2 363.481 2.504 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](F)CC)C[C@@H]2n2ccnn2)CCCC1 ZINC001129490858 1003677096 /nfs/dbraw/zinc/67/70/96/1003677096.db2.gz RXQGHQWYUHFMIH-BBWFWOEESA-N 1 2 363.481 2.504 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccsn2)C3)ccc1F ZINC001095597892 1016825112 /nfs/dbraw/zinc/82/51/12/1016825112.db2.gz GAXRAYFGLYDHGW-COXVUDFISA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccsn2)C3)ccc1F ZINC001095597892 1016825129 /nfs/dbraw/zinc/82/51/29/1016825129.db2.gz GAXRAYFGLYDHGW-COXVUDFISA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCN(C4CCCCC4)C3=O)CC2)cc1 ZINC001197031044 1004053689 /nfs/dbraw/zinc/05/36/89/1004053689.db2.gz HDPKVHXUBYNNAI-FQEVSTJZSA-N 1 2 352.482 2.614 20 30 FFEDLO CCC[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001197221218 1004128341 /nfs/dbraw/zinc/12/83/41/1004128341.db2.gz MZDLFTXUMKJFFW-GGPKGHCWSA-N 1 2 361.461 2.575 20 30 FFEDLO CCC[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001197221218 1004128349 /nfs/dbraw/zinc/12/83/49/1004128349.db2.gz MZDLFTXUMKJFFW-GGPKGHCWSA-N 1 2 361.461 2.575 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cc(C)ccc1C ZINC001110496763 1004415254 /nfs/dbraw/zinc/41/52/54/1004415254.db2.gz FKOGFXZGQKQUAH-RLLQIKCJSA-N 1 2 367.493 2.767 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cc(C)ccc1C ZINC001110496763 1004415256 /nfs/dbraw/zinc/41/52/56/1004415256.db2.gz FKOGFXZGQKQUAH-RLLQIKCJSA-N 1 2 367.493 2.767 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@H]1O ZINC001193304200 1004444840 /nfs/dbraw/zinc/44/48/40/1004444840.db2.gz QVPDBRHWUWMUJP-JCURWCKSSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@H]1O ZINC001193304200 1004444845 /nfs/dbraw/zinc/44/48/45/1004444845.db2.gz QVPDBRHWUWMUJP-JCURWCKSSA-N 1 2 352.425 2.789 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1O ZINC001193377042 1004469720 /nfs/dbraw/zinc/46/97/20/1004469720.db2.gz NHVCEJYGOHJPBZ-HZPDHXFCSA-N 1 2 356.388 2.723 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1O ZINC001193377042 1004469723 /nfs/dbraw/zinc/46/97/23/1004469723.db2.gz NHVCEJYGOHJPBZ-HZPDHXFCSA-N 1 2 356.388 2.723 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1O ZINC001198081203 1004473009 /nfs/dbraw/zinc/47/30/09/1004473009.db2.gz LZWAQGNLJUITPW-QZTJIDSGSA-N 1 2 351.491 2.785 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1O ZINC001198081203 1004473012 /nfs/dbraw/zinc/47/30/12/1004473012.db2.gz LZWAQGNLJUITPW-QZTJIDSGSA-N 1 2 351.491 2.785 20 30 FFEDLO C#C[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C(C)(C)C ZINC000807880175 1004705010 /nfs/dbraw/zinc/70/50/10/1004705010.db2.gz SIMFGRXFOHPPHO-QGZVFWFLSA-N 1 2 352.438 2.690 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnn1C ZINC001095635633 1016902377 /nfs/dbraw/zinc/90/23/77/1016902377.db2.gz LFEXFGLJZGXROY-MNEFBYGVSA-N 1 2 366.465 2.520 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnn1C ZINC001095635633 1016902393 /nfs/dbraw/zinc/90/23/93/1016902393.db2.gz LFEXFGLJZGXROY-MNEFBYGVSA-N 1 2 366.465 2.520 20 30 FFEDLO CCCCC[C@H](CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001198918155 1004778696 /nfs/dbraw/zinc/77/86/96/1004778696.db2.gz TYMOWGRVKNOBOU-PWRODBHTSA-N 1 2 356.510 2.806 20 30 FFEDLO CCCCC[C@H](CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001198918155 1004778701 /nfs/dbraw/zinc/77/87/01/1004778701.db2.gz TYMOWGRVKNOBOU-PWRODBHTSA-N 1 2 356.510 2.806 20 30 FFEDLO C#C[C@@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001195568997 1004999200 /nfs/dbraw/zinc/99/92/00/1004999200.db2.gz UITWUPOLOCQXIR-YLJYHZDGSA-N 1 2 373.928 2.938 20 30 FFEDLO C#C[C@@H]1CCCN(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001195568997 1004999203 /nfs/dbraw/zinc/99/92/03/1004999203.db2.gz UITWUPOLOCQXIR-YLJYHZDGSA-N 1 2 373.928 2.938 20 30 FFEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)C1 ZINC001195568997 1004999206 /nfs/dbraw/zinc/99/92/06/1004999206.db2.gz UITWUPOLOCQXIR-YLJYHZDGSA-N 1 2 373.928 2.938 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)s1 ZINC001110544959 1005063423 /nfs/dbraw/zinc/06/34/23/1005063423.db2.gz MVWWPQLRRAIEKB-YUELXQCFSA-N 1 2 352.887 2.663 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)s1 ZINC001110544959 1005063431 /nfs/dbraw/zinc/06/34/31/1005063431.db2.gz MVWWPQLRRAIEKB-YUELXQCFSA-N 1 2 352.887 2.663 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001195923828 1005074504 /nfs/dbraw/zinc/07/45/04/1005074504.db2.gz NJLZLZXRWQJNFU-JFIYKMOQSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001195923828 1005074515 /nfs/dbraw/zinc/07/45/15/1005074515.db2.gz NJLZLZXRWQJNFU-JFIYKMOQSA-N 1 2 370.415 2.969 20 30 FFEDLO CC(=[NH+]Nc1cccc(S(C)(=O)=O)c1)c1cccc(N2CCOCC2)c1 ZINC000776260667 1005326985 /nfs/dbraw/zinc/32/69/85/1005326985.db2.gz NAKOORQEPDLRRN-UHFFFAOYSA-N 1 2 373.478 2.763 20 30 FFEDLO C#CCCCCC(=O)N1CCCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001488970157 1005389117 /nfs/dbraw/zinc/38/91/17/1005389117.db2.gz CSEWSKBCHBAWGD-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO C#CCCCCC(=O)N1CCCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001488970157 1005389120 /nfs/dbraw/zinc/38/91/20/1005389120.db2.gz CSEWSKBCHBAWGD-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CSCC#N)CC[N@@H+]1Cc1cc(C(C)(C)C)on1 ZINC001489103380 1005410031 /nfs/dbraw/zinc/41/00/31/1005410031.db2.gz JJIJSQVWKITZEI-LSDHHAIUSA-N 1 2 364.515 2.698 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CSCC#N)CC[N@H+]1Cc1cc(C(C)(C)C)on1 ZINC001489103380 1005410033 /nfs/dbraw/zinc/41/00/33/1005410033.db2.gz JJIJSQVWKITZEI-LSDHHAIUSA-N 1 2 364.515 2.698 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001489952973 1005599999 /nfs/dbraw/zinc/59/99/99/1005599999.db2.gz XDEZVLIJIQSADL-WBVHZDCISA-N 1 2 360.502 2.688 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001489952973 1005600002 /nfs/dbraw/zinc/60/00/02/1005600002.db2.gz XDEZVLIJIQSADL-WBVHZDCISA-N 1 2 360.502 2.688 20 30 FFEDLO C=CCCC(=O)N[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1C ZINC001490078092 1005635676 /nfs/dbraw/zinc/63/56/76/1005635676.db2.gz JSZLSHTVCLGNJZ-QAPCUYQASA-N 1 2 352.438 2.558 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1)OCC ZINC001110612418 1005717401 /nfs/dbraw/zinc/71/74/01/1005717401.db2.gz AKEHIYCXXSCKOY-AKHDSKFASA-N 1 2 361.461 2.814 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1)OCC ZINC001110612418 1005717402 /nfs/dbraw/zinc/71/74/02/1005717402.db2.gz AKEHIYCXXSCKOY-AKHDSKFASA-N 1 2 361.461 2.814 20 30 FFEDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3c(=O)[nH]1)CC2 ZINC000852403832 1006007609 /nfs/dbraw/zinc/00/76/09/1006007609.db2.gz IPWNAXMINWXVCK-GOSISDBHSA-N 1 2 372.428 2.878 20 30 FFEDLO Cc1ccc2c(c1)C[N@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3c(=O)[nH]1)CC2 ZINC000852403832 1006007619 /nfs/dbraw/zinc/00/76/19/1006007619.db2.gz IPWNAXMINWXVCK-GOSISDBHSA-N 1 2 372.428 2.878 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001187296412 1006022277 /nfs/dbraw/zinc/02/22/77/1006022277.db2.gz NVGDPMHFRCBLMO-WMLDXEAASA-N 1 2 352.837 2.714 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001187296412 1006022290 /nfs/dbraw/zinc/02/22/90/1006022290.db2.gz NVGDPMHFRCBLMO-WMLDXEAASA-N 1 2 352.837 2.714 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(OC)ns2)CCC1 ZINC001110652497 1006104264 /nfs/dbraw/zinc/10/42/64/1006104264.db2.gz GXHJHOVLZLEBEH-BMFZPTHFSA-N 1 2 359.495 2.567 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(OC)ns2)CCC1 ZINC001110652497 1006104269 /nfs/dbraw/zinc/10/42/69/1006104269.db2.gz GXHJHOVLZLEBEH-BMFZPTHFSA-N 1 2 359.495 2.567 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nnc(-c4ccco4)o3)C[C@H]21 ZINC001187591879 1006146270 /nfs/dbraw/zinc/14/62/70/1006146270.db2.gz XJDYMOMPTZXEQX-JKSUJKDBSA-N 1 2 368.437 2.556 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(-c4ccco4)o3)C[C@H]21 ZINC001187591879 1006146274 /nfs/dbraw/zinc/14/62/74/1006146274.db2.gz XJDYMOMPTZXEQX-JKSUJKDBSA-N 1 2 368.437 2.556 20 30 FFEDLO Cc1nc(N2CCN(c3nccc(Oc4cccc(C#N)c4)n3)CC2)cc[nH+]1 ZINC000882186843 1006316370 /nfs/dbraw/zinc/31/63/70/1006316370.db2.gz AISQMLZUTQFFIN-UHFFFAOYSA-N 1 2 373.420 2.566 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCCNC(=O)c1ccc(OC)cc1 ZINC000853196838 1006329288 /nfs/dbraw/zinc/32/92/88/1006329288.db2.gz KULAJKACDKTODL-UHFFFAOYSA-N 1 2 353.422 2.724 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1oc3ccc(F)cc3c1C)C2 ZINC001110664874 1006380565 /nfs/dbraw/zinc/38/05/65/1006380565.db2.gz BXAQEIXKXNDODU-NXHRZFHOSA-N 1 2 370.424 2.865 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1oc3ccc(F)cc3c1C)C2 ZINC001110664874 1006380578 /nfs/dbraw/zinc/38/05/78/1006380578.db2.gz BXAQEIXKXNDODU-NXHRZFHOSA-N 1 2 370.424 2.865 20 30 FFEDLO CO[C@H](CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1)[C@@H]1CCOC1 ZINC000853658616 1006496005 /nfs/dbraw/zinc/49/60/05/1006496005.db2.gz NNFMFFFRVKNWIT-UYAOXDASSA-N 1 2 370.449 2.954 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 ZINC000854065469 1006656367 /nfs/dbraw/zinc/65/63/67/1006656367.db2.gz MKRFFDUDQYSEGW-UHFFFAOYSA-N 1 2 356.445 2.698 20 30 FFEDLO C=CCNC(=O)C[N@H+]1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 ZINC000854065469 1006656373 /nfs/dbraw/zinc/65/63/73/1006656373.db2.gz MKRFFDUDQYSEGW-UHFFFAOYSA-N 1 2 356.445 2.698 20 30 FFEDLO C[NH+](C)Cc1nc(CSCCNC(=O)c2cccc(CC#N)c2)cs1 ZINC001188687303 1006675892 /nfs/dbraw/zinc/67/58/92/1006675892.db2.gz DBMSXBYMANPBOF-UHFFFAOYSA-N 1 2 374.535 2.934 20 30 FFEDLO COc1ccccc1Cn1c[nH+]cc1CNC(=O)c1cccc(CC#N)c1 ZINC001188688611 1006677517 /nfs/dbraw/zinc/67/75/17/1006677517.db2.gz FRDPZHLEDQADKT-UHFFFAOYSA-N 1 2 360.417 2.936 20 30 FFEDLO CC(=O)N(C)C1CC[NH+](CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)CC1 ZINC000112543868 1006954609 /nfs/dbraw/zinc/95/46/09/1006954609.db2.gz PMUKXDIVFQEKJC-KGENOOAVSA-N 1 2 369.509 2.810 20 30 FFEDLO COC(=O)c1cccc(C#Cc2cccc(NC(=O)Cc3[nH]cc[nH+]3)c2)c1 ZINC000816842593 1007216900 /nfs/dbraw/zinc/21/69/00/1007216900.db2.gz XLFDZQPGRRJHHE-UHFFFAOYSA-N 1 2 359.385 2.777 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000884102912 1007239505 /nfs/dbraw/zinc/23/95/05/1007239505.db2.gz RBAZYQFXHBIOCC-RBUKOAKNSA-N 1 2 352.434 2.950 20 30 FFEDLO CSc1ccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1C#N ZINC000884236217 1007333480 /nfs/dbraw/zinc/33/34/80/1007333480.db2.gz ORBFOTNABJXZGP-INIZCTEOSA-N 1 2 367.478 2.753 20 30 FFEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)nc1-c1cnccn1 ZINC000884481509 1007460626 /nfs/dbraw/zinc/46/06/26/1007460626.db2.gz LYTXNQDMZKSTPJ-ZBFHGGJFSA-N 1 2 372.498 2.515 20 30 FFEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)nc1-c1cnccn1 ZINC000884481509 1007460633 /nfs/dbraw/zinc/46/06/33/1007460633.db2.gz LYTXNQDMZKSTPJ-ZBFHGGJFSA-N 1 2 372.498 2.515 20 30 FFEDLO CC(C)(C#N)c1cccc(C(=O)N2CC[NH+](CCc3ccccn3)CC2)c1 ZINC001190929085 1007837042 /nfs/dbraw/zinc/83/70/42/1007837042.db2.gz WDAOVRCQSHDNBB-UHFFFAOYSA-N 1 2 362.477 2.883 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCS3)n2Cc2ccccc2)CC1 ZINC000818224664 1007888099 /nfs/dbraw/zinc/88/80/99/1007888099.db2.gz HBGDGZOIZJJBQE-SFHVURJKSA-N 1 2 367.522 2.650 20 30 FFEDLO CO/C(=C/c1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000856718439 1007959500 /nfs/dbraw/zinc/95/95/00/1007959500.db2.gz PKLNWXSGLFPLPI-RCCKNPSSSA-N 1 2 361.445 2.890 20 30 FFEDLO Cc1ccc(O[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)nc1 ZINC000858032741 1008282686 /nfs/dbraw/zinc/28/26/86/1008282686.db2.gz MXDTZNTWNWTLBZ-RDJZCZTQSA-N 1 2 350.422 2.742 20 30 FFEDLO Cc1ccc(O[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)nc1 ZINC000858032741 1008282688 /nfs/dbraw/zinc/28/26/88/1008282688.db2.gz MXDTZNTWNWTLBZ-RDJZCZTQSA-N 1 2 350.422 2.742 20 30 FFEDLO COC(=O)c1ccc(-c2cc(C[NH+]3CCOCC3)ccc2OC)cc1C#N ZINC001206503591 1032317949 /nfs/dbraw/zinc/31/79/49/1032317949.db2.gz YSFULELXJDXBMB-UHFFFAOYSA-N 1 2 366.417 2.853 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)n1cccc1 ZINC001095315876 1008455649 /nfs/dbraw/zinc/45/56/49/1008455649.db2.gz AQIDGFVTLZADKD-CZGNIMDHSA-N 1 2 365.452 2.961 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)n1cccc1 ZINC001095315876 1008455652 /nfs/dbraw/zinc/45/56/52/1008455652.db2.gz AQIDGFVTLZADKD-CZGNIMDHSA-N 1 2 365.452 2.961 20 30 FFEDLO COC(=O)c1ccc(F)c2c1C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)CC2 ZINC000859527842 1008544879 /nfs/dbraw/zinc/54/48/79/1008544879.db2.gz DWVCZDHOYVQTLK-LJQANCHMSA-N 1 2 354.381 2.576 20 30 FFEDLO COC(=O)c1ccc(F)c2c1C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)CC2 ZINC000859527842 1008544889 /nfs/dbraw/zinc/54/48/89/1008544889.db2.gz DWVCZDHOYVQTLK-LJQANCHMSA-N 1 2 354.381 2.576 20 30 FFEDLO CC(C)[C@]1(C)CC(=O)N(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1=O ZINC000116868073 1008593174 /nfs/dbraw/zinc/59/31/74/1008593174.db2.gz CGNSYQFURUAZKX-NRFANRHFSA-N 1 2 369.465 2.780 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnnn2CC)CCCC1 ZINC001110212819 1008703352 /nfs/dbraw/zinc/70/33/52/1008703352.db2.gz PZOVIPMXBYVHGY-NJAFHUGGSA-N 1 2 357.502 2.656 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnnn2CC)CCCC1 ZINC001110212819 1008703361 /nfs/dbraw/zinc/70/33/61/1008703361.db2.gz PZOVIPMXBYVHGY-NJAFHUGGSA-N 1 2 357.502 2.656 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)c1ccc(F)cn1 ZINC001095341804 1008758136 /nfs/dbraw/zinc/75/81/36/1008758136.db2.gz UCYRGHROSOEJGD-HOJAQTOUSA-N 1 2 367.399 2.747 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)c1ccc(F)cn1 ZINC001095341804 1008758149 /nfs/dbraw/zinc/75/81/49/1008758149.db2.gz UCYRGHROSOEJGD-HOJAQTOUSA-N 1 2 367.399 2.747 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2csc(C(C)(C)C)n2)C[C@H]1C ZINC001206586371 1032353674 /nfs/dbraw/zinc/35/36/74/1032353674.db2.gz XUWKGWJFVZYINX-UKRRQHHQSA-N 1 2 351.516 2.580 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2csc(C(C)(C)C)n2)C[C@H]1C ZINC001206586371 1032353680 /nfs/dbraw/zinc/35/36/80/1032353680.db2.gz XUWKGWJFVZYINX-UKRRQHHQSA-N 1 2 351.516 2.580 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)/C=C\C(C)(C)C)C2)c1 ZINC001206651439 1032375289 /nfs/dbraw/zinc/37/52/89/1032375289.db2.gz QOWSGSQHXKQBMI-KDFFLEMUSA-N 1 2 367.493 2.645 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)/C=C\C(C)(C)C)C2)c1 ZINC001206651439 1032375296 /nfs/dbraw/zinc/37/52/96/1032375296.db2.gz QOWSGSQHXKQBMI-KDFFLEMUSA-N 1 2 367.493 2.645 20 30 FFEDLO CC(C)(C#N)c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC001178987355 1009216136 /nfs/dbraw/zinc/21/61/36/1009216136.db2.gz ZEUUDXFEENHYSO-SFHVURJKSA-N 1 2 364.449 2.722 20 30 FFEDLO CC(C)(C#N)c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC001178987355 1009216148 /nfs/dbraw/zinc/21/61/48/1009216148.db2.gz ZEUUDXFEENHYSO-SFHVURJKSA-N 1 2 364.449 2.722 20 30 FFEDLO Cc1nc(CN2CC[NH+](Cc3cc(C#N)ccc3N(C)C)CC2)cs1 ZINC001180371814 1009672366 /nfs/dbraw/zinc/67/23/66/1009672366.db2.gz ARLIBFWXGZWSQO-UHFFFAOYSA-N 1 2 355.511 2.707 20 30 FFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1C#N ZINC001093053032 1009686356 /nfs/dbraw/zinc/68/63/56/1009686356.db2.gz OXHVSIFJYJCJDZ-SAYTVZCPSA-N 1 2 367.428 2.525 20 30 FFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1C#N ZINC001093053032 1009686362 /nfs/dbraw/zinc/68/63/62/1009686362.db2.gz OXHVSIFJYJCJDZ-SAYTVZCPSA-N 1 2 367.428 2.525 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)CCOCC1 ZINC000826590348 1009691655 /nfs/dbraw/zinc/69/16/55/1009691655.db2.gz QUNPMLGZRDCLBA-HXUWFJFHSA-N 1 2 372.509 2.685 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)CCOCC1 ZINC000826590348 1009691666 /nfs/dbraw/zinc/69/16/66/1009691666.db2.gz QUNPMLGZRDCLBA-HXUWFJFHSA-N 1 2 372.509 2.685 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001180779420 1009847120 /nfs/dbraw/zinc/84/71/20/1009847120.db2.gz RNBTXPPCQGAKBY-HNNXBMFYSA-N 1 2 355.398 2.618 20 30 FFEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Nc2ccc(C#N)cn2)CC1 ZINC000889219155 1009867914 /nfs/dbraw/zinc/86/79/14/1009867914.db2.gz CRTCTQFLXRPEDY-UHFFFAOYSA-N 1 2 365.437 2.620 20 30 FFEDLO C[N@H+](CCOc1ccc(F)cc1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000014307884 1010006752 /nfs/dbraw/zinc/00/67/52/1010006752.db2.gz ZOSQFFFNJIFRFY-UHFFFAOYSA-N 1 2 366.396 2.570 20 30 FFEDLO C[N@@H+](CCOc1ccc(F)cc1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000014307884 1010006770 /nfs/dbraw/zinc/00/67/70/1010006770.db2.gz ZOSQFFFNJIFRFY-UHFFFAOYSA-N 1 2 366.396 2.570 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+](CN1C(=O)C3(CCC3)[C@@H]1[C@@H]1CCCO1)C2 ZINC000863335349 1010182974 /nfs/dbraw/zinc/18/29/74/1010182974.db2.gz FQAPEAXJTUZMCG-PMACEKPBSA-N 1 2 365.477 2.628 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+](CN1C(=O)C3(CCC3)[C@@H]1[C@@H]1CCCO1)C2 ZINC000863335349 1010182982 /nfs/dbraw/zinc/18/29/82/1010182982.db2.gz FQAPEAXJTUZMCG-PMACEKPBSA-N 1 2 365.477 2.628 20 30 FFEDLO CC(C)n1nccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001097139155 1017097586 /nfs/dbraw/zinc/09/75/86/1017097586.db2.gz ZEYLXAFFSUUBQK-XYPHTWIQSA-N 1 2 369.494 2.932 20 30 FFEDLO CC(C)n1nccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001097139155 1017097601 /nfs/dbraw/zinc/09/76/01/1017097601.db2.gz ZEYLXAFFSUUBQK-XYPHTWIQSA-N 1 2 369.494 2.932 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2c(C)cccc2CC)C[C@H]1C ZINC001206912476 1032494853 /nfs/dbraw/zinc/49/48/53/1032494853.db2.gz NRBQYLCHNOKGBO-IEBWSBKVSA-N 1 2 369.509 2.736 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2c(C)cccc2CC)C[C@H]1C ZINC001206912476 1032494860 /nfs/dbraw/zinc/49/48/60/1032494860.db2.gz NRBQYLCHNOKGBO-IEBWSBKVSA-N 1 2 369.509 2.736 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)C[C@H]1C ZINC001206912668 1032494869 /nfs/dbraw/zinc/49/48/69/1032494869.db2.gz WYHQJENDLTXZRB-IIDMSEBBSA-N 1 2 366.465 2.636 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)C[C@H]1C ZINC001206912668 1032494874 /nfs/dbraw/zinc/49/48/74/1032494874.db2.gz WYHQJENDLTXZRB-IIDMSEBBSA-N 1 2 366.465 2.636 20 30 FFEDLO FC(F)(F)c1ccc(C#CC[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)cc1 ZINC000865481600 1010795832 /nfs/dbraw/zinc/79/58/32/1010795832.db2.gz RKDJABUVMWYNBS-KRWDZBQOSA-N 1 2 364.371 2.617 20 30 FFEDLO C#CCN(C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)C1CCCC1 ZINC000121156561 1011023850 /nfs/dbraw/zinc/02/38/50/1011023850.db2.gz KKNHHUWGDNCTPS-HXUWFJFHSA-N 1 2 369.509 2.517 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@@H+](Cn2c(=O)oc3ccc(F)cc32)CC1 ZINC000773296294 1011202404 /nfs/dbraw/zinc/20/24/04/1011202404.db2.gz HPXKHOWSCHEMFX-UHFFFAOYSA-N 1 2 366.396 2.775 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@H+](Cn2c(=O)oc3ccc(F)cc32)CC1 ZINC000773296294 1011202410 /nfs/dbraw/zinc/20/24/10/1011202410.db2.gz HPXKHOWSCHEMFX-UHFFFAOYSA-N 1 2 366.396 2.775 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)C2)c1 ZINC000868668298 1011410978 /nfs/dbraw/zinc/41/09/78/1011410978.db2.gz IWVUADZIUISJQU-IHPCNDPISA-N 1 2 370.497 2.577 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)C2)c1 ZINC000868668298 1011410986 /nfs/dbraw/zinc/41/09/86/1011410986.db2.gz IWVUADZIUISJQU-IHPCNDPISA-N 1 2 370.497 2.577 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000410564351 1011628205 /nfs/dbraw/zinc/62/82/05/1011628205.db2.gz VWKGOUBNCAUGOR-SFHVURJKSA-N 1 2 372.513 2.721 20 30 FFEDLO N#C[C@@]1(c2ccccn2)CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000869234236 1011685604 /nfs/dbraw/zinc/68/56/04/1011685604.db2.gz PGHOHFCTOJQOBK-QFIPXVFZSA-N 1 2 371.444 2.894 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000958563621 1011879488 /nfs/dbraw/zinc/87/94/88/1011879488.db2.gz AOAFWVVELOREAG-SXGZJXTBSA-N 1 2 354.454 2.513 20 30 FFEDLO C=C[C@H]1C[C@]1([NH2+]C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)OCC ZINC001173000402 1012167635 /nfs/dbraw/zinc/16/76/35/1012167635.db2.gz LOHISWDBORJVHQ-MGPUTAFESA-N 1 2 360.429 2.528 20 30 FFEDLO COC(C)(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)C1=O ZINC001275328929 1012307293 /nfs/dbraw/zinc/30/72/93/1012307293.db2.gz HEPXMLJGBYIWBJ-FQEVSTJZSA-N 1 2 359.445 2.689 20 30 FFEDLO COC(C)(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(F)c(C#N)c2)C1=O ZINC001275328929 1012307309 /nfs/dbraw/zinc/30/73/09/1012307309.db2.gz HEPXMLJGBYIWBJ-FQEVSTJZSA-N 1 2 359.445 2.689 20 30 FFEDLO C=CCCCCCC[N@H+]1C[C@]2(F)CN(CC(=O)OC(C)C)C(=O)[C@]2(F)C1 ZINC001275329156 1012310514 /nfs/dbraw/zinc/31/05/14/1012310514.db2.gz NUGZENNDTRREDJ-RBUKOAKNSA-N 1 2 372.456 2.649 20 30 FFEDLO C=CCCCCCC[N@@H+]1C[C@]2(F)CN(CC(=O)OC(C)C)C(=O)[C@]2(F)C1 ZINC001275329156 1012310528 /nfs/dbraw/zinc/31/05/28/1012310528.db2.gz NUGZENNDTRREDJ-RBUKOAKNSA-N 1 2 372.456 2.649 20 30 FFEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)cnc1Cl)CC2 ZINC001275538221 1012594185 /nfs/dbraw/zinc/59/41/85/1012594185.db2.gz BHDZYXNGEGVNNV-AWEZNQCLSA-N 1 2 352.265 2.740 20 30 FFEDLO N#Cc1ccccc1/C=C\C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000870990181 1012670851 /nfs/dbraw/zinc/67/08/51/1012670851.db2.gz VLMQKKANPJKHPC-WAYWQWQTSA-N 1 2 364.474 2.836 20 30 FFEDLO Cc1ocnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095221026 1012737295 /nfs/dbraw/zinc/73/72/95/1012737295.db2.gz KXFBFYJGMSBVFL-PVAVHDDUSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1ocnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095221026 1012737306 /nfs/dbraw/zinc/73/73/06/1012737306.db2.gz KXFBFYJGMSBVFL-PVAVHDDUSA-N 1 2 354.385 2.529 20 30 FFEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3cccc(Cl)c3Cl)C2)OCC1=O ZINC001275653803 1012769109 /nfs/dbraw/zinc/76/91/09/1012769109.db2.gz PENKLSIEQFDTMY-QGZVFWFLSA-N 1 2 355.265 2.983 20 30 FFEDLO C=CCN1C[C@]2(CC[N@H+](Cc3cccc(Cl)c3Cl)C2)OCC1=O ZINC001275653803 1012769125 /nfs/dbraw/zinc/76/91/25/1012769125.db2.gz PENKLSIEQFDTMY-QGZVFWFLSA-N 1 2 355.265 2.983 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3c(F)cccc3C(F)(F)F)C2)OCC1=O ZINC001275705665 1012888137 /nfs/dbraw/zinc/88/81/37/1012888137.db2.gz RIYRMIQZTBNCQX-KRWDZBQOSA-N 1 2 372.362 2.834 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3c(F)cccc3C(F)(F)F)C2)OCC1=O ZINC001275705665 1012888156 /nfs/dbraw/zinc/88/81/56/1012888156.db2.gz RIYRMIQZTBNCQX-KRWDZBQOSA-N 1 2 372.362 2.834 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1 ZINC001110887160 1017201159 /nfs/dbraw/zinc/20/11/59/1017201159.db2.gz AZYVYRKPDQMWSG-QRVBRYPASA-N 1 2 369.509 2.627 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1 ZINC001110887160 1017201164 /nfs/dbraw/zinc/20/11/64/1017201164.db2.gz AZYVYRKPDQMWSG-QRVBRYPASA-N 1 2 369.509 2.627 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001097224091 1017216517 /nfs/dbraw/zinc/21/65/17/1017216517.db2.gz HINUHFAKYUHIKE-KURKYZTESA-N 1 2 354.429 2.744 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001097224091 1017216528 /nfs/dbraw/zinc/21/65/28/1017216528.db2.gz HINUHFAKYUHIKE-KURKYZTESA-N 1 2 354.429 2.744 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CCCC1CCCC1 ZINC001051163653 1017246633 /nfs/dbraw/zinc/24/66/33/1017246633.db2.gz HGERHCMNSSMFTH-AABGKKOBSA-N 1 2 364.530 2.755 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1COCC[N@H+]1CCCC1CCCC1 ZINC001051163653 1017246646 /nfs/dbraw/zinc/24/66/46/1017246646.db2.gz HGERHCMNSSMFTH-AABGKKOBSA-N 1 2 364.530 2.755 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCC2(F)F)C3)c1 ZINC001097305365 1017315878 /nfs/dbraw/zinc/31/58/78/1017315878.db2.gz TYHVPOTZXMCRJA-WTTBNOFXSA-N 1 2 363.383 2.964 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCC2(F)F)C3)c1 ZINC001097305365 1017315889 /nfs/dbraw/zinc/31/58/89/1017315889.db2.gz TYHVPOTZXMCRJA-WTTBNOFXSA-N 1 2 363.383 2.964 20 30 FFEDLO N#Cc1c(F)cccc1N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001057773853 1017454347 /nfs/dbraw/zinc/45/43/47/1017454347.db2.gz WWXYLTWNHHPKBK-MGPQQGTHSA-N 1 2 353.401 2.627 20 30 FFEDLO N#Cc1c(F)cccc1N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001057773853 1017454351 /nfs/dbraw/zinc/45/43/51/1017454351.db2.gz WWXYLTWNHHPKBK-MGPQQGTHSA-N 1 2 353.401 2.627 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccn(C(C)(C)C)c1=O)C2 ZINC001097999198 1017628069 /nfs/dbraw/zinc/62/80/69/1017628069.db2.gz KERFBPKTNWAJPT-BMFZPTHFSA-N 1 2 363.889 2.691 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccn(C(C)(C)C)c1=O)C2 ZINC001097999198 1017628076 /nfs/dbraw/zinc/62/80/76/1017628076.db2.gz KERFBPKTNWAJPT-BMFZPTHFSA-N 1 2 363.889 2.691 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)C2 ZINC001097567329 1017634797 /nfs/dbraw/zinc/63/47/97/1017634797.db2.gz DXCUVEKQJFWZBL-XKRYSZRTSA-N 1 2 365.477 2.595 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)C2 ZINC001097567329 1017634804 /nfs/dbraw/zinc/63/48/04/1017634804.db2.gz DXCUVEKQJFWZBL-XKRYSZRTSA-N 1 2 365.477 2.595 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097568691 1017637957 /nfs/dbraw/zinc/63/79/57/1017637957.db2.gz XCYUIWJYBVBBAA-UEDWAMCQSA-N 1 2 353.466 2.595 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097568691 1017637968 /nfs/dbraw/zinc/63/79/68/1017637968.db2.gz XCYUIWJYBVBBAA-UEDWAMCQSA-N 1 2 353.466 2.595 20 30 FFEDLO C#CCC1(NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)CCOCC1 ZINC000925427636 1017737676 /nfs/dbraw/zinc/73/76/76/1017737676.db2.gz XIERWIBJRIHLGN-UHFFFAOYSA-N 1 2 364.449 2.699 20 30 FFEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1)O2 ZINC001053675225 1018410421 /nfs/dbraw/zinc/41/04/21/1018410421.db2.gz IYLWHQMKLBLFAS-HSALFYBXSA-N 1 2 354.494 2.943 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001058254634 1018688460 /nfs/dbraw/zinc/68/84/60/1018688460.db2.gz MWZZOGHPDGUECH-AOIWGVFYSA-N 1 2 370.497 2.729 20 30 FFEDLO CC(C)(C)/C=C/C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001217566144 1032783928 /nfs/dbraw/zinc/78/39/28/1032783928.db2.gz HUZOAWYKMCBDQS-HMTUNPETSA-N 1 2 371.456 2.711 20 30 FFEDLO CC(C)(C)/C=C/C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001217566144 1032783941 /nfs/dbraw/zinc/78/39/41/1032783941.db2.gz HUZOAWYKMCBDQS-HMTUNPETSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC1(C)C ZINC001068136516 1019225223 /nfs/dbraw/zinc/22/52/23/1019225223.db2.gz KIACKPZTXHARSJ-IKGGRYGDSA-N 1 2 370.497 2.585 20 30 FFEDLO C=CCCCC(=O)N1CCC(CC)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001069578623 1019502867 /nfs/dbraw/zinc/50/28/67/1019502867.db2.gz ZFFPSNKUMVGCPV-HZPDHXFCSA-N 1 2 358.486 2.757 20 30 FFEDLO C=CCCCC(=O)N1CCC(CC)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001069578623 1019502878 /nfs/dbraw/zinc/50/28/78/1019502878.db2.gz ZFFPSNKUMVGCPV-HZPDHXFCSA-N 1 2 358.486 2.757 20 30 FFEDLO C=CC1(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCCCC1 ZINC000929672985 1019578428 /nfs/dbraw/zinc/57/84/28/1019578428.db2.gz QLBAROCLNPLMKR-UHFFFAOYSA-N 1 2 368.485 2.539 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1)C(C)C ZINC001110984829 1019948709 /nfs/dbraw/zinc/94/87/09/1019948709.db2.gz NICGLIGOEGHXGU-OQIJWPOYSA-N 1 2 359.445 2.590 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1)C(C)C ZINC001110984829 1019948718 /nfs/dbraw/zinc/94/87/18/1019948718.db2.gz NICGLIGOEGHXGU-OQIJWPOYSA-N 1 2 359.445 2.590 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)s1 ZINC001096034574 1020020561 /nfs/dbraw/zinc/02/05/61/1020020561.db2.gz IENJYIJHXORBIN-NRKLIOEPSA-N 1 2 361.511 2.573 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)s1 ZINC001096034574 1020020574 /nfs/dbraw/zinc/02/05/74/1020020574.db2.gz IENJYIJHXORBIN-NRKLIOEPSA-N 1 2 361.511 2.573 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)NC2(C)CC[NH+](Cc3cc(F)ccc3C#N)CC2)O1 ZINC001045564490 1020031401 /nfs/dbraw/zinc/03/14/01/1020031401.db2.gz BOPOFVLCYPKVEP-RDTXWAMCSA-N 1 2 359.445 2.736 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1F ZINC001096035625 1020038527 /nfs/dbraw/zinc/03/85/27/1020038527.db2.gz JUUWKLHXJNBKKX-SSGTUYFUSA-N 1 2 362.420 2.777 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1F ZINC001096035625 1020038538 /nfs/dbraw/zinc/03/85/38/1020038538.db2.gz JUUWKLHXJNBKKX-SSGTUYFUSA-N 1 2 362.420 2.777 20 30 FFEDLO C[NH+](C)[C@H](C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000780090471 1020058329 /nfs/dbraw/zinc/05/83/29/1020058329.db2.gz UDCUPRLHQYWIGR-SFHVURJKSA-N 1 2 362.389 2.954 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001490895403 1020111102 /nfs/dbraw/zinc/11/11/02/1020111102.db2.gz HYDTUZVYYHAAIQ-UWJYYQICSA-N 1 2 366.465 2.720 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)c(F)c3)n2CC(=C)C)CC1 ZINC000802560023 1020224668 /nfs/dbraw/zinc/22/46/68/1020224668.db2.gz KTTWNEWWEWHNMW-UHFFFAOYSA-N 1 2 353.445 2.724 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc4cccnc43)n2CC(=C)C)CC1 ZINC000802577658 1020234687 /nfs/dbraw/zinc/23/46/87/1020234687.db2.gz LLKBJPYQCCYWCZ-UHFFFAOYSA-N 1 2 372.476 2.825 20 30 FFEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)c1cccnc1 ZINC001096371920 1020256507 /nfs/dbraw/zinc/25/65/07/1020256507.db2.gz ZEEOOSHWJKOVRA-ZFCZOSEKSA-N 1 2 360.461 2.978 20 30 FFEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)c1cccnc1 ZINC001096371920 1020256516 /nfs/dbraw/zinc/25/65/16/1020256516.db2.gz ZEEOOSHWJKOVRA-ZFCZOSEKSA-N 1 2 360.461 2.978 20 30 FFEDLO CC(=NNc1nc2ccccc2c(=O)n1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000725846899 1020269513 /nfs/dbraw/zinc/26/95/13/1020269513.db2.gz WUOZLPQHXYJQQK-UHFFFAOYSA-N 1 2 358.405 2.955 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccncc2Cl)cn1 ZINC001096382806 1020297256 /nfs/dbraw/zinc/29/72/56/1020297256.db2.gz QRBBUWKQVJCXNF-NEWSRXKRSA-N 1 2 366.852 2.647 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccncc2Cl)cn1 ZINC001096382806 1020297260 /nfs/dbraw/zinc/29/72/60/1020297260.db2.gz QRBBUWKQVJCXNF-NEWSRXKRSA-N 1 2 366.852 2.647 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)c(F)c3)n2CC(C)C)CC1 ZINC000802665327 1020305869 /nfs/dbraw/zinc/30/58/69/1020305869.db2.gz RJKNOUAVVWPRIG-UHFFFAOYSA-N 1 2 355.461 2.804 20 30 FFEDLO COc1ccc(C[NH+]2CCC(Oc3ccc(C(N)=O)cc3)CC2)c(C#N)c1 ZINC001137706000 1032892578 /nfs/dbraw/zinc/89/25/78/1032892578.db2.gz KHUYFISYPCKEMD-UHFFFAOYSA-N 1 2 365.433 2.709 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1cscn1)C2 ZINC001073046127 1020348194 /nfs/dbraw/zinc/34/81/94/1020348194.db2.gz ORZZRMJOHNWKFW-IRXDYDNUSA-N 1 2 361.511 2.549 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1cscn1)C2 ZINC001073046127 1020348197 /nfs/dbraw/zinc/34/81/97/1020348197.db2.gz ORZZRMJOHNWKFW-IRXDYDNUSA-N 1 2 361.511 2.549 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001073206863 1020424873 /nfs/dbraw/zinc/42/48/73/1020424873.db2.gz YMPFFSLGMXEVRQ-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001073206863 1020424876 /nfs/dbraw/zinc/42/48/76/1020424876.db2.gz YMPFFSLGMXEVRQ-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046500910 1020667981 /nfs/dbraw/zinc/66/79/81/1020667981.db2.gz FPKBITAPSDWOLI-WSTZPKSXSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046500910 1020667983 /nfs/dbraw/zinc/66/79/83/1020667983.db2.gz FPKBITAPSDWOLI-WSTZPKSXSA-N 1 2 359.445 2.593 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc(C3CC3)n1)C2 ZINC001096117605 1020746862 /nfs/dbraw/zinc/74/68/62/1020746862.db2.gz AWPXLXPYTAFTHO-AOIWGVFYSA-N 1 2 362.433 2.959 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc(C3CC3)n1)C2 ZINC001096117605 1020746866 /nfs/dbraw/zinc/74/68/66/1020746866.db2.gz AWPXLXPYTAFTHO-AOIWGVFYSA-N 1 2 362.433 2.959 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)cc2F)nc1 ZINC001098237214 1020753461 /nfs/dbraw/zinc/75/34/61/1020753461.db2.gz HZIVXHKPPIFTNQ-AHRSYUTCSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)cc2F)nc1 ZINC001098237214 1020753471 /nfs/dbraw/zinc/75/34/71/1020753471.db2.gz HZIVXHKPPIFTNQ-AHRSYUTCSA-N 1 2 367.399 2.876 20 30 FFEDLO Cc1nc(CC2CC[NH+](CC(=O)Nc3cc(Cl)ccc3C#N)CC2)no1 ZINC000932244628 1020754726 /nfs/dbraw/zinc/75/47/26/1020754726.db2.gz MJRQWKRERLWODN-UHFFFAOYSA-N 1 2 373.844 2.796 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(F)c2F)cn1 ZINC001098245219 1020758675 /nfs/dbraw/zinc/75/86/75/1020758675.db2.gz AIKFRSPIMHVQLS-QRQLOZEOSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(F)c2F)cn1 ZINC001098245219 1020758681 /nfs/dbraw/zinc/75/86/81/1020758681.db2.gz AIKFRSPIMHVQLS-QRQLOZEOSA-N 1 2 367.399 2.876 20 30 FFEDLO C=CCCCCCN(C)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000803343683 1020774661 /nfs/dbraw/zinc/77/46/61/1020774661.db2.gz CQHGKODQLOZTMZ-UHFFFAOYSA-N 1 2 354.454 2.693 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3OC)C2)nn1 ZINC000932632706 1020855343 /nfs/dbraw/zinc/85/53/43/1020855343.db2.gz HKSWWHMDFINZOI-INIZCTEOSA-N 1 2 369.469 2.714 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3OC)C2)nn1 ZINC000932632706 1020855348 /nfs/dbraw/zinc/85/53/48/1020855348.db2.gz HKSWWHMDFINZOI-INIZCTEOSA-N 1 2 369.469 2.714 20 30 FFEDLO Cc1c[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001098396728 1020872042 /nfs/dbraw/zinc/87/20/42/1020872042.db2.gz XNKUSFOSFKZACX-RLLQIKCJSA-N 1 2 351.425 2.849 20 30 FFEDLO Cc1c[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001098396728 1020872048 /nfs/dbraw/zinc/87/20/48/1020872048.db2.gz XNKUSFOSFKZACX-RLLQIKCJSA-N 1 2 351.425 2.849 20 30 FFEDLO CC(C)c1ncncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001098421094 1020893590 /nfs/dbraw/zinc/89/35/90/1020893590.db2.gz KMPHYXMXTYKEHV-NRSPTQNISA-N 1 2 374.488 2.987 20 30 FFEDLO CC(C)c1ncncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001098421094 1020893597 /nfs/dbraw/zinc/89/35/97/1020893597.db2.gz KMPHYXMXTYKEHV-NRSPTQNISA-N 1 2 374.488 2.987 20 30 FFEDLO C#CCNC(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000749275572 1020913126 /nfs/dbraw/zinc/91/31/26/1020913126.db2.gz JOENCAOUGZXZGG-FQEVSTJZSA-N 1 2 370.836 2.540 20 30 FFEDLO Cc1nc[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001098517338 1020979035 /nfs/dbraw/zinc/97/90/35/1020979035.db2.gz ASOWADWVUJGAEM-KURKYZTESA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1nc[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001098517338 1020979042 /nfs/dbraw/zinc/97/90/42/1020979042.db2.gz ASOWADWVUJGAEM-KURKYZTESA-N 1 2 368.868 2.758 20 30 FFEDLO CCn1c[nH+]c2c1CCN([C@@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000933257330 1020984523 /nfs/dbraw/zinc/98/45/23/1020984523.db2.gz FOFNYAIUTRFKDP-INIZCTEOSA-N 1 2 351.454 2.596 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)sn2)C1 ZINC001098811587 1021175765 /nfs/dbraw/zinc/17/57/65/1021175765.db2.gz QFJRPRVLPWDOKF-WFASDCNBSA-N 1 2 370.316 2.944 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)sn2)C1 ZINC001098811587 1021175767 /nfs/dbraw/zinc/17/57/67/1021175767.db2.gz QFJRPRVLPWDOKF-WFASDCNBSA-N 1 2 370.316 2.944 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000469221088 1021497417 /nfs/dbraw/zinc/49/74/17/1021497417.db2.gz NDEYSZYTYRNCFL-INIZCTEOSA-N 1 2 361.405 2.967 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001099034267 1021638257 /nfs/dbraw/zinc/63/82/57/1021638257.db2.gz GRDJNRLBZNSESO-DJSBCALVSA-N 1 2 371.456 2.593 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001099034267 1021638261 /nfs/dbraw/zinc/63/82/61/1021638261.db2.gz GRDJNRLBZNSESO-DJSBCALVSA-N 1 2 371.456 2.593 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001099035800 1021642030 /nfs/dbraw/zinc/64/20/30/1021642030.db2.gz LHTMBTKAFNENSM-QPHYHROASA-N 1 2 359.297 2.867 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](C/C(Cl)=C\Cl)C2 ZINC001099035800 1021642036 /nfs/dbraw/zinc/64/20/36/1021642036.db2.gz LHTMBTKAFNENSM-QPHYHROASA-N 1 2 359.297 2.867 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2sc(COC)nc2C)C1 ZINC001099137596 1021911225 /nfs/dbraw/zinc/91/12/25/1021911225.db2.gz SSCBUTLXYSABER-GUYCJALGSA-N 1 2 369.918 2.935 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2sc(COC)nc2C)C1 ZINC001099137596 1021911232 /nfs/dbraw/zinc/91/12/32/1021911232.db2.gz SSCBUTLXYSABER-GUYCJALGSA-N 1 2 369.918 2.935 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCc2ccc(CC#N)cc2)C1 ZINC001118127902 1022079904 /nfs/dbraw/zinc/07/99/04/1022079904.db2.gz SOMMYFYETRRLKZ-SFHVURJKSA-N 1 2 351.454 2.650 20 30 FFEDLO Cc1ccc([C@H](C)NC(=O)CO[NH+]=C(N)c2ccc3c(c2)CCO3)cc1C ZINC000158209779 1022487340 /nfs/dbraw/zinc/48/73/40/1022487340.db2.gz NZGKPNRDXIGMSJ-HNNXBMFYSA-N 1 2 367.449 2.753 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000047538507 1022569443 /nfs/dbraw/zinc/56/94/43/1022569443.db2.gz WCECWJCZWXOFDY-UHFFFAOYSA-N 1 2 367.327 2.990 20 30 FFEDLO COCCC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001111242410 1022569536 /nfs/dbraw/zinc/56/95/36/1022569536.db2.gz CWIYNAVUOYJJDE-OBZTUIKSSA-N 1 2 355.482 2.842 20 30 FFEDLO COCCC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001111242410 1022569548 /nfs/dbraw/zinc/56/95/48/1022569548.db2.gz CWIYNAVUOYJJDE-OBZTUIKSSA-N 1 2 355.482 2.842 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C(C)C)n1 ZINC001038267564 1022640113 /nfs/dbraw/zinc/64/01/13/1022640113.db2.gz WBDXOTDXEOANKZ-NSHGMRRFSA-N 1 2 357.498 2.877 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C(C)C)n1 ZINC001038267564 1022640123 /nfs/dbraw/zinc/64/01/23/1022640123.db2.gz WBDXOTDXEOANKZ-NSHGMRRFSA-N 1 2 357.498 2.877 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001490843754 1022707656 /nfs/dbraw/zinc/70/76/56/1022707656.db2.gz BSAIJGOAYOHPOD-HZMVEIRTSA-N 1 2 358.486 2.685 20 30 FFEDLO C=CCn1c(=S)n(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)nc1-c1ccncc1 ZINC001119393173 1022736211 /nfs/dbraw/zinc/73/62/11/1022736211.db2.gz DVXJNLVBBMUXHG-GASCZTMLSA-N 1 2 359.524 2.914 20 30 FFEDLO C=CCn1c(=S)n(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)nc1-c1ccncc1 ZINC001119393173 1022736221 /nfs/dbraw/zinc/73/62/21/1022736221.db2.gz DVXJNLVBBMUXHG-GASCZTMLSA-N 1 2 359.524 2.914 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(C)(Nc2cc[nH+]c(C)n2)CC1 ZINC001067300235 1022764069 /nfs/dbraw/zinc/76/40/69/1022764069.db2.gz GSPXNCXROPIZAS-WMZOPIPTSA-N 1 2 358.486 2.949 20 30 FFEDLO C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1snc(Cl)c1C#N ZINC001099765582 1022820829 /nfs/dbraw/zinc/82/08/29/1022820829.db2.gz WPUIUNIAVNHHRX-IVZWLZJFSA-N 1 2 364.862 2.502 20 30 FFEDLO C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1snc(Cl)c1C#N ZINC001099765582 1022820836 /nfs/dbraw/zinc/82/08/36/1022820836.db2.gz WPUIUNIAVNHHRX-IVZWLZJFSA-N 1 2 364.862 2.502 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCc2nc(-c3ccccc3)sc2C1 ZINC001119656198 1022918901 /nfs/dbraw/zinc/91/89/01/1022918901.db2.gz WNAQYHKPTGKZOM-KRWDZBQOSA-N 1 2 351.475 2.792 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2nc(-c3ccccc3)sc2C1 ZINC001119656198 1022918910 /nfs/dbraw/zinc/91/89/10/1022918910.db2.gz WNAQYHKPTGKZOM-KRWDZBQOSA-N 1 2 351.475 2.792 20 30 FFEDLO CC(C)(C)C#CC(=O)N1CC[C@H]2CC[N@H+](Cc3cn(C(C)(C)C)nn3)[C@H]2C1 ZINC001222661644 1033097245 /nfs/dbraw/zinc/09/72/45/1033097245.db2.gz LTKLYYPHTCVJEP-AEFFLSMTSA-N 1 2 371.529 2.505 20 30 FFEDLO CC(C)(C)C#CC(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(C(C)(C)C)nn3)[C@H]2C1 ZINC001222661644 1033097254 /nfs/dbraw/zinc/09/72/54/1033097254.db2.gz LTKLYYPHTCVJEP-AEFFLSMTSA-N 1 2 371.529 2.505 20 30 FFEDLO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C3CC3)s1)C2 ZINC001111273249 1023116993 /nfs/dbraw/zinc/11/69/93/1023116993.db2.gz GTURCNAQOJWAOO-XZDPQHSOSA-N 1 2 373.522 2.651 20 30 FFEDLO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C3CC3)s1)C2 ZINC001111273249 1023117000 /nfs/dbraw/zinc/11/70/00/1023117000.db2.gz GTURCNAQOJWAOO-XZDPQHSOSA-N 1 2 373.522 2.651 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@@H](C)C[C@@H](C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001122395160 1023240830 /nfs/dbraw/zinc/24/08/30/1023240830.db2.gz KJYSRRMDVVVUFF-PDOICOKGSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@@H](C)C[C@@H](C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001122395160 1023240834 /nfs/dbraw/zinc/24/08/34/1023240834.db2.gz KJYSRRMDVVVUFF-PDOICOKGSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C)C3(CCC3)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001122396236 1023241400 /nfs/dbraw/zinc/24/14/00/1023241400.db2.gz YQBQVKANRMPRHZ-ZWOKBUDYSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C)C3(CCC3)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001122396236 1023241409 /nfs/dbraw/zinc/24/14/09/1023241409.db2.gz YQBQVKANRMPRHZ-ZWOKBUDYSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N2Cc3ccccc3[C@@H]2C)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001122396029 1023242150 /nfs/dbraw/zinc/24/21/50/1023242150.db2.gz VLHJSEDORDSWSP-LUQKVYGDSA-N 1 2 367.497 2.847 20 30 FFEDLO C=C(C)Cn1c(N2Cc3ccccc3[C@@H]2C)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001122396029 1023242156 /nfs/dbraw/zinc/24/21/56/1023242156.db2.gz VLHJSEDORDSWSP-LUQKVYGDSA-N 1 2 367.497 2.847 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)C[C@H]1CC1(C)C ZINC001122479264 1023295046 /nfs/dbraw/zinc/29/50/46/1023295046.db2.gz RPJYDSYYWVSBGE-QGZVFWFLSA-N 1 2 361.534 2.541 20 30 FFEDLO C=C(C)Cn1c(CCOCC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001122537679 1023326483 /nfs/dbraw/zinc/32/64/83/1023326483.db2.gz ZLSOURMOZNJOIC-UHFFFAOYSA-N 1 2 370.501 2.909 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001122538716 1023327340 /nfs/dbraw/zinc/32/73/40/1023327340.db2.gz CHXNVMYTQBWYLV-TVFCKZIOSA-N 1 2 359.518 2.872 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001122538716 1023327349 /nfs/dbraw/zinc/32/73/49/1023327349.db2.gz CHXNVMYTQBWYLV-TVFCKZIOSA-N 1 2 359.518 2.872 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(C)(C#N)CC1 ZINC001122543710 1023330786 /nfs/dbraw/zinc/33/07/86/1023330786.db2.gz MQMSLPZIQDCJMV-KRWDZBQOSA-N 1 2 372.517 2.766 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(C)(C#N)CC1 ZINC001122543710 1023330794 /nfs/dbraw/zinc/33/07/94/1023330794.db2.gz MQMSLPZIQDCJMV-KRWDZBQOSA-N 1 2 372.517 2.766 20 30 FFEDLO O=[N+]([O-])c1ccc(-n2cccc2C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1 ZINC000753931510 1023401176 /nfs/dbraw/zinc/40/11/76/1023401176.db2.gz ZLLURBUERZMMKH-IAGOWNOFSA-N 1 2 352.398 2.579 20 30 FFEDLO COc1ccc(C(C)=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1Cn1cccn1 ZINC000753934708 1023401645 /nfs/dbraw/zinc/40/16/45/1023401645.db2.gz JTFAIBJRPRPIPH-HDICACEKSA-N 1 2 366.469 2.524 20 30 FFEDLO C[C@@H]1CC(=NN2C(=S)N=NC2[C@@H]2COc3ccccc3O2)C[N@@H+]1C1CC1 ZINC000753955448 1023406203 /nfs/dbraw/zinc/40/62/03/1023406203.db2.gz OWVJZHBFBFNMOP-BZNIZROVSA-N 1 2 371.466 2.540 20 30 FFEDLO C[C@@H]1CC(=NN2C(=S)N=NC2[C@@H]2COc3ccccc3O2)C[N@H+]1C1CC1 ZINC000753955448 1023406206 /nfs/dbraw/zinc/40/62/06/1023406206.db2.gz OWVJZHBFBFNMOP-BZNIZROVSA-N 1 2 371.466 2.540 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2CCC[C@H](C#N)C2)n1Cc1cccs1 ZINC001123006378 1023591844 /nfs/dbraw/zinc/59/18/44/1023591844.db2.gz IXOUIFXLASYDAM-GDBMZVCRSA-N 1 2 356.499 2.895 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2CCC[C@H](C#N)C2)n1Cc1cccs1 ZINC001123006378 1023591849 /nfs/dbraw/zinc/59/18/49/1023591849.db2.gz IXOUIFXLASYDAM-GDBMZVCRSA-N 1 2 356.499 2.895 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001222768322 1033152591 /nfs/dbraw/zinc/15/25/91/1033152591.db2.gz XFLVVMATRJKFDO-ZBFHGGJFSA-N 1 2 358.486 2.972 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001222768322 1033152601 /nfs/dbraw/zinc/15/26/01/1033152601.db2.gz XFLVVMATRJKFDO-ZBFHGGJFSA-N 1 2 358.486 2.972 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3CC)[C@H]2C1 ZINC001222767839 1033151968 /nfs/dbraw/zinc/15/19/68/1033151968.db2.gz PDTZXNHWANXYMG-SJORKVTESA-N 1 2 359.518 2.632 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3CC)[C@H]2C1 ZINC001222767839 1033151974 /nfs/dbraw/zinc/15/19/74/1033151974.db2.gz PDTZXNHWANXYMG-SJORKVTESA-N 1 2 359.518 2.632 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(F)(C2CC2)CC1 ZINC001121323629 1023707518 /nfs/dbraw/zinc/70/75/18/1023707518.db2.gz BONIFPWDVSZRBX-UHFFFAOYSA-N 1 2 360.481 2.627 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@@H](C)[C@@H](F)C1 ZINC001121493099 1023808212 /nfs/dbraw/zinc/80/82/12/1023808212.db2.gz UKGRRTQUCXUBDI-NCOADZHNSA-N 1 2 363.481 2.574 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@@H](C)[C@@H](F)C1 ZINC001121493099 1023808220 /nfs/dbraw/zinc/80/82/20/1023808220.db2.gz UKGRRTQUCXUBDI-NCOADZHNSA-N 1 2 363.481 2.574 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(CC)Cc1ccccc1C ZINC001121509582 1023817662 /nfs/dbraw/zinc/81/76/62/1023817662.db2.gz HFRVYEAVUUMMJX-ROUUACIJSA-N 1 2 355.486 2.537 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(CC)Cc1ccccc1C ZINC001121509582 1023817669 /nfs/dbraw/zinc/81/76/69/1023817669.db2.gz HFRVYEAVUUMMJX-ROUUACIJSA-N 1 2 355.486 2.537 20 30 FFEDLO C=CCn1c(N2CCc3ccsc3[C@@H]2C)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121607588 1023877691 /nfs/dbraw/zinc/87/76/91/1023877691.db2.gz OYKRMPPGHSRIML-OHNRDTAOSA-N 1 2 373.526 2.561 20 30 FFEDLO C=CCn1c(N2CCc3ccsc3[C@@H]2C)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121607588 1023877695 /nfs/dbraw/zinc/87/76/95/1023877695.db2.gz OYKRMPPGHSRIML-OHNRDTAOSA-N 1 2 373.526 2.561 20 30 FFEDLO C=CCN(CC=C)c1nnc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC1CC1 ZINC001123622495 1023906250 /nfs/dbraw/zinc/90/62/50/1023906250.db2.gz SOXNGFQVHOEKPF-QZTJIDSGSA-N 1 2 357.502 2.792 20 30 FFEDLO C=CCN(CC=C)c1nnc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC1CC1 ZINC001123622495 1023906256 /nfs/dbraw/zinc/90/62/56/1023906256.db2.gz SOXNGFQVHOEKPF-QZTJIDSGSA-N 1 2 357.502 2.792 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)cn2)CCOCC1 ZINC001111332776 1023965479 /nfs/dbraw/zinc/96/54/79/1023965479.db2.gz OOMWTUHBKQVHRU-QRVBRYPASA-N 1 2 373.472 2.815 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)cn2)CCOCC1 ZINC001111332776 1023965490 /nfs/dbraw/zinc/96/54/90/1023965490.db2.gz OOMWTUHBKQVHRU-QRVBRYPASA-N 1 2 373.472 2.815 20 30 FFEDLO Cc1ccn(C[N@H+]2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(=O)c1C#N ZINC000758239325 1023988937 /nfs/dbraw/zinc/98/89/37/1023988937.db2.gz YBTRDSBJGJQALW-CVEARBPZSA-N 1 2 374.485 2.611 20 30 FFEDLO Cc1ccn(C[N@@H+]2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(=O)c1C#N ZINC000758239325 1023988950 /nfs/dbraw/zinc/98/89/50/1023988950.db2.gz YBTRDSBJGJQALW-CVEARBPZSA-N 1 2 374.485 2.611 20 30 FFEDLO COCC[NH+]1CCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 ZINC001218506942 1033187748 /nfs/dbraw/zinc/18/77/48/1033187748.db2.gz BEFKNLAWQBHVKR-UHFFFAOYSA-N 1 2 350.488 2.713 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3oc(CC)nc3C)C[C@@H]21 ZINC001218516519 1033194681 /nfs/dbraw/zinc/19/46/81/1033194681.db2.gz CZGBDWOTIVNKMW-XYJFISCASA-N 1 2 361.486 2.559 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3oc(CC)nc3C)C[C@@H]21 ZINC001218516519 1033194685 /nfs/dbraw/zinc/19/46/85/1033194685.db2.gz CZGBDWOTIVNKMW-XYJFISCASA-N 1 2 361.486 2.559 20 30 FFEDLO C#CCCN(CCOC)c1nnc([C@H]2CCC[N@@H+]2C)n1Cc1ccccc1 ZINC001122155402 1024390640 /nfs/dbraw/zinc/39/06/40/1024390640.db2.gz ISITYFXCLHHHLE-LJQANCHMSA-N 1 2 367.497 2.569 20 30 FFEDLO C#CCCN(CCOC)c1nnc([C@H]2CCC[N@H+]2C)n1Cc1ccccc1 ZINC001122155402 1024390657 /nfs/dbraw/zinc/39/06/57/1024390657.db2.gz ISITYFXCLHHHLE-LJQANCHMSA-N 1 2 367.497 2.569 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)o3)C[C@@]2(C)C1 ZINC001101325226 1024454422 /nfs/dbraw/zinc/45/44/22/1024454422.db2.gz LIVNDHQNXAKHCO-UTKZUKDTSA-N 1 2 370.497 2.811 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)o3)C[C@@]2(C)C1 ZINC001101325226 1024454429 /nfs/dbraw/zinc/45/44/29/1024454429.db2.gz LIVNDHQNXAKHCO-UTKZUKDTSA-N 1 2 370.497 2.811 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nc(CCC)no3)C[C@@]2(C)C1 ZINC001101337640 1024486888 /nfs/dbraw/zinc/48/68/88/1024486888.db2.gz HDKYDZTVJDJDDT-YRNRMSPPSA-N 1 2 360.502 2.905 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nc(CCC)no3)C[C@@]2(C)C1 ZINC001101337640 1024486893 /nfs/dbraw/zinc/48/68/93/1024486893.db2.gz HDKYDZTVJDJDDT-YRNRMSPPSA-N 1 2 360.502 2.905 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CC4)no3)C[C@@]2(C)C1 ZINC001101337887 1024488351 /nfs/dbraw/zinc/48/83/51/1024488351.db2.gz PAAJTXPBSPRINR-NBQZKYEYSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CC4)no3)C[C@@]2(C)C1 ZINC001101337887 1024488358 /nfs/dbraw/zinc/48/83/58/1024488358.db2.gz PAAJTXPBSPRINR-NBQZKYEYSA-N 1 2 358.486 2.830 20 30 FFEDLO COc1cc(F)cc(N[NH+]=Cc2c(N3CCOCC3)nc3ccccn32)c1 ZINC000759209313 1024519297 /nfs/dbraw/zinc/51/92/97/1024519297.db2.gz GFVJNBCMPAVCAM-UHFFFAOYSA-N 1 2 369.400 2.765 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4cnon4)C[C@@]3(C)C2)CCCCC1 ZINC001101471555 1024827388 /nfs/dbraw/zinc/82/73/88/1024827388.db2.gz XFVOSTXVWDASJM-APWZRJJASA-N 1 2 358.486 2.877 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4cnon4)C[C@@]3(C)C2)CCCCC1 ZINC001101471555 1024827408 /nfs/dbraw/zinc/82/74/08/1024827408.db2.gz XFVOSTXVWDASJM-APWZRJJASA-N 1 2 358.486 2.877 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nc(C)no4)C[C@@]3(C)C2)CCCC1 ZINC001101492062 1024878099 /nfs/dbraw/zinc/87/80/99/1024878099.db2.gz ISDQKHQHGWMXQX-APWZRJJASA-N 1 2 358.486 2.795 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nc(C)no4)C[C@@]3(C)C2)CCCC1 ZINC001101492062 1024878104 /nfs/dbraw/zinc/87/81/04/1024878104.db2.gz ISDQKHQHGWMXQX-APWZRJJASA-N 1 2 358.486 2.795 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001141163779 1025547596 /nfs/dbraw/zinc/54/75/96/1025547596.db2.gz SINUAMHRKXZLQA-UFYCRDLUSA-N 1 2 353.397 2.903 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001141163779 1025547607 /nfs/dbraw/zinc/54/76/07/1025547607.db2.gz SINUAMHRKXZLQA-UFYCRDLUSA-N 1 2 353.397 2.903 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](Oc2ccc(C(N)=O)cc2)C1 ZINC001141168625 1025555997 /nfs/dbraw/zinc/55/59/97/1025555997.db2.gz RMUYFTFHWRFBDT-LJQANCHMSA-N 1 2 353.397 2.840 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](Oc2ccc(C(N)=O)cc2)C1 ZINC001141168625 1025556005 /nfs/dbraw/zinc/55/60/05/1025556005.db2.gz RMUYFTFHWRFBDT-LJQANCHMSA-N 1 2 353.397 2.840 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000838980013 1026557225 /nfs/dbraw/zinc/55/72/25/1026557225.db2.gz QMWLHRPTDINGJM-GASCZTMLSA-N 1 2 372.425 2.765 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000838980013 1026557231 /nfs/dbraw/zinc/55/72/31/1026557231.db2.gz QMWLHRPTDINGJM-GASCZTMLSA-N 1 2 372.425 2.765 20 30 FFEDLO CCCN1C(=O)CC[C@@H](C(=O)O[C@H]2CCC[C@@H](C#N)C2)[C@@H]1c1c[nH+]cn1C ZINC000839058264 1026574042 /nfs/dbraw/zinc/57/40/42/1026574042.db2.gz JQHBHDXHNHQNAT-YYAJDYIMSA-N 1 2 372.469 2.735 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)c1 ZINC001141664732 1026782643 /nfs/dbraw/zinc/78/26/43/1026782643.db2.gz YPCLWZGVKSVSLB-OAHLLOKOSA-N 1 2 362.271 2.811 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](NC(=O)C3CC3)C2)c1 ZINC001141664732 1026782652 /nfs/dbraw/zinc/78/26/52/1026782652.db2.gz YPCLWZGVKSVSLB-OAHLLOKOSA-N 1 2 362.271 2.811 20 30 FFEDLO C#CC[N@@H+](CN1C(=O)C2(CCOCC2)[C@@H]1C1CC1)[C@H]1CCc2ccccc21 ZINC000839963778 1026884316 /nfs/dbraw/zinc/88/43/16/1026884316.db2.gz KIZYMLKORZGSDU-SFTDATJTSA-N 1 2 364.489 2.984 20 30 FFEDLO C#CC[N@H+](CN1C(=O)C2(CCOCC2)[C@@H]1C1CC1)[C@H]1CCc2ccccc21 ZINC000839963778 1026884321 /nfs/dbraw/zinc/88/43/21/1026884321.db2.gz KIZYMLKORZGSDU-SFTDATJTSA-N 1 2 364.489 2.984 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)nn1 ZINC000640882217 1026996443 /nfs/dbraw/zinc/99/64/43/1026996443.db2.gz QQOAWWHGQALUGG-LBPRGKRZSA-N 1 2 365.359 2.610 20 30 FFEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001158502014 1027046382 /nfs/dbraw/zinc/04/63/82/1027046382.db2.gz VQUGHSWGIKQBJL-FPCVCCKLSA-N 1 2 371.319 2.775 20 30 FFEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001158502014 1027046393 /nfs/dbraw/zinc/04/63/93/1027046393.db2.gz VQUGHSWGIKQBJL-FPCVCCKLSA-N 1 2 371.319 2.775 20 30 FFEDLO N#Cc1c(F)ccnc1N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001158586540 1027069191 /nfs/dbraw/zinc/06/91/91/1027069191.db2.gz QJGQIRCAPKTWAU-QAPCUYQASA-N 1 2 368.412 2.963 20 30 FFEDLO C[N@@H+]1CCOC[C@H]1CNc1cc(F)c(C#N)cc1-c1ccnc(Cl)n1 ZINC001158706634 1027099879 /nfs/dbraw/zinc/09/98/79/1027099879.db2.gz CHXACCFLXPCWHK-GFCCVEGCSA-N 1 2 361.808 2.550 20 30 FFEDLO C[N@H+]1CCOC[C@H]1CNc1cc(F)c(C#N)cc1-c1ccnc(Cl)n1 ZINC001158706634 1027099895 /nfs/dbraw/zinc/09/98/95/1027099895.db2.gz CHXACCFLXPCWHK-GFCCVEGCSA-N 1 2 361.808 2.550 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)C1 ZINC001158915245 1027187777 /nfs/dbraw/zinc/18/77/77/1027187777.db2.gz PWVDOIIETILJIF-HOTGVXAUSA-N 1 2 359.474 2.594 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCCN(c2cc(N3CCC[C@H](C)C3)nc[nH+]2)C1 ZINC001158915245 1027187787 /nfs/dbraw/zinc/18/77/87/1027187787.db2.gz PWVDOIIETILJIF-HOTGVXAUSA-N 1 2 359.474 2.594 20 30 FFEDLO CSc1nc(C[N@@H+]2CCC[C@H](Oc3ncncc3C)C2)ccc1C#N ZINC001141945508 1027198011 /nfs/dbraw/zinc/19/80/11/1027198011.db2.gz BJRSHWVEEIDPMC-INIZCTEOSA-N 1 2 355.467 2.817 20 30 FFEDLO CSc1nc(C[N@H+]2CCC[C@H](Oc3ncncc3C)C2)ccc1C#N ZINC001141945508 1027198015 /nfs/dbraw/zinc/19/80/15/1027198015.db2.gz BJRSHWVEEIDPMC-INIZCTEOSA-N 1 2 355.467 2.817 20 30 FFEDLO C=CCNS(=O)(=O)c1ccccc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000641276269 1027200558 /nfs/dbraw/zinc/20/05/58/1027200558.db2.gz BKWONKMTFJLQGA-UHFFFAOYSA-N 1 2 372.494 2.758 20 30 FFEDLO CSC[C@H]1CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000795601514 1027221123 /nfs/dbraw/zinc/22/11/23/1027221123.db2.gz TYVILSXAYHQAFN-ZFWWWQNUSA-N 1 2 370.478 2.587 20 30 FFEDLO CSC[C@H]1CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000795601514 1027221137 /nfs/dbraw/zinc/22/11/37/1027221137.db2.gz TYVILSXAYHQAFN-ZFWWWQNUSA-N 1 2 370.478 2.587 20 30 FFEDLO CC(C)(S)CNc1nc2c(ccn2S(=O)(=O)c2ccccc2)c[nH+]1 ZINC001159268377 1027330600 /nfs/dbraw/zinc/33/06/00/1027330600.db2.gz TWDBUYQSLJPWRL-UHFFFAOYSA-N 1 2 362.480 2.789 20 30 FFEDLO N#Cc1cnc(CNc2ncnc3c2C[N@H+](Cc2ccccc2)CC3)s1 ZINC001161003698 1027970742 /nfs/dbraw/zinc/97/07/42/1027970742.db2.gz OQGDLRLLJIHCJV-UHFFFAOYSA-N 1 2 362.462 2.975 20 30 FFEDLO N#Cc1cnc(CNc2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)s1 ZINC001161003698 1027970747 /nfs/dbraw/zinc/97/07/47/1027970747.db2.gz OQGDLRLLJIHCJV-UHFFFAOYSA-N 1 2 362.462 2.975 20 30 FFEDLO N#Cc1c[nH]c2ncnc(NC3CC[NH+](CC(=O)c4ccccc4)CC3)c12 ZINC001161144923 1028036456 /nfs/dbraw/zinc/03/64/56/1028036456.db2.gz XYCDGUCDCJKDEH-UHFFFAOYSA-N 1 2 360.421 2.589 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2noc(C3CCC3)n2)C1 ZINC001104164728 1028625455 /nfs/dbraw/zinc/62/54/55/1028625455.db2.gz BICOBDLDPJEFLC-NVXWUHKLSA-N 1 2 358.486 2.571 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnnn2CC)CCCC1 ZINC001111518080 1028720114 /nfs/dbraw/zinc/72/01/14/1028720114.db2.gz PZOVIPMXBYVHGY-NXHRZFHOSA-N 1 2 357.502 2.656 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnnn2CC)CCCC1 ZINC001111518080 1028720123 /nfs/dbraw/zinc/72/01/23/1028720123.db2.gz PZOVIPMXBYVHGY-NXHRZFHOSA-N 1 2 357.502 2.656 20 30 FFEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001155757483 1028893969 /nfs/dbraw/zinc/89/39/69/1028893969.db2.gz RJOVPOXKPSHXAU-ILXRZTDVSA-N 1 2 359.308 2.703 20 30 FFEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001155757483 1028893975 /nfs/dbraw/zinc/89/39/75/1028893975.db2.gz RJOVPOXKPSHXAU-ILXRZTDVSA-N 1 2 359.308 2.703 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccn(C3CCCC3)n1)C2 ZINC001111666432 1029090567 /nfs/dbraw/zinc/09/05/67/1029090567.db2.gz BADNKPRBYDJBCL-FTRWYGJKSA-N 1 2 355.486 2.629 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccn(C3CCCC3)n1)C2 ZINC001111666432 1029090581 /nfs/dbraw/zinc/09/05/81/1029090581.db2.gz BADNKPRBYDJBCL-FTRWYGJKSA-N 1 2 355.486 2.629 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(CCC)no1)C2 ZINC001111711294 1029209604 /nfs/dbraw/zinc/20/96/04/1029209604.db2.gz LUKJYBGWGCWKMP-JXFKEZNVSA-N 1 2 358.486 2.686 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(CCC)no1)C2 ZINC001111711294 1029209621 /nfs/dbraw/zinc/20/96/21/1029209621.db2.gz LUKJYBGWGCWKMP-JXFKEZNVSA-N 1 2 358.486 2.686 20 30 FFEDLO CCN(CCn1cc[nH+]c1)c1ccc([C@H](C#N)c2ccccc2F)nn1 ZINC001157462370 1029589937 /nfs/dbraw/zinc/58/99/37/1029589937.db2.gz FLEQRAFKMGKCFN-MRXNPFEDSA-N 1 2 350.401 2.994 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nn(CC)nc1C)C2 ZINC001111848311 1029612320 /nfs/dbraw/zinc/61/23/20/1029612320.db2.gz BOJKAJKYTCELGH-SYNHAJSKSA-N 1 2 359.518 2.679 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nn(CC)nc1C)C2 ZINC001111848311 1029612326 /nfs/dbraw/zinc/61/23/26/1029612326.db2.gz BOJKAJKYTCELGH-SYNHAJSKSA-N 1 2 359.518 2.679 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)n1C1CC1)C2 ZINC001111850643 1029616034 /nfs/dbraw/zinc/61/60/34/1029616034.db2.gz RDXYHHOXDFBNEU-FIKGOQFSSA-N 1 2 371.529 2.994 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)n1C1CC1)C2 ZINC001111850643 1029616041 /nfs/dbraw/zinc/61/60/41/1029616041.db2.gz RDXYHHOXDFBNEU-FIKGOQFSSA-N 1 2 371.529 2.994 20 30 FFEDLO N#Cc1ccc2cc[nH+]c(N3CCC[C@@H](NC(=O)c4ccncc4)C3)c2c1 ZINC001157986628 1029702607 /nfs/dbraw/zinc/70/26/07/1029702607.db2.gz WAXQAHKZGQTHLF-GOSISDBHSA-N 1 2 357.417 2.900 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1C#N ZINC000782623639 1029766375 /nfs/dbraw/zinc/76/63/75/1029766375.db2.gz ZTZQENSPJUTXAG-HRAATJIYSA-N 1 2 370.497 2.735 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c1C#N ZINC000782623639 1029766380 /nfs/dbraw/zinc/76/63/80/1029766380.db2.gz ZTZQENSPJUTXAG-HRAATJIYSA-N 1 2 370.497 2.735 20 30 FFEDLO C=C[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnon1)C2)c1ccccc1 ZINC001111996169 1029845709 /nfs/dbraw/zinc/84/57/09/1029845709.db2.gz NSDAGKBWOBTVFW-HQRMLTQVSA-N 1 2 352.438 2.510 20 30 FFEDLO C=C[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnon1)C2)c1ccccc1 ZINC001111996169 1029845714 /nfs/dbraw/zinc/84/57/14/1029845714.db2.gz NSDAGKBWOBTVFW-HQRMLTQVSA-N 1 2 352.438 2.510 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1coc(C3CC3)n1)C2 ZINC001112019079 1029868593 /nfs/dbraw/zinc/86/85/93/1029868593.db2.gz YLAPXFVZQUMXHK-UVFQYZLESA-N 1 2 359.470 2.614 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC001112019079 1029868598 /nfs/dbraw/zinc/86/85/98/1029868598.db2.gz YLAPXFVZQUMXHK-UVFQYZLESA-N 1 2 359.470 2.614 20 30 FFEDLO N#Cc1ccc([C@@H](O)C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000783645335 1030206050 /nfs/dbraw/zinc/20/60/50/1030206050.db2.gz SRELZKUVVFQYHY-LJQANCHMSA-N 1 2 352.438 2.507 20 30 FFEDLO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3cc(CC#N)cc[nH+]3)C[C@H]12 ZINC001166220305 1030311002 /nfs/dbraw/zinc/31/10/02/1030311002.db2.gz XQLFWKMDLQJLCZ-RBBKRZOGSA-N 1 2 360.461 2.917 20 30 FFEDLO N#Cc1ccc2c(C[NH+]3CCN(C(=O)c4ccc(O)cc4)CC3)c[nH]c2c1 ZINC001142926377 1031064967 /nfs/dbraw/zinc/06/49/67/1031064967.db2.gz PRZCOICESLIIBB-UHFFFAOYSA-N 1 2 360.417 2.703 20 30 FFEDLO COCCOc1ccc(N2CC[NH+](Cc3ccccc3C#N)CC2)cc1 ZINC001204372748 1031260010 /nfs/dbraw/zinc/26/00/10/1031260010.db2.gz IIOWMUNFVCYNEX-UHFFFAOYSA-N 1 2 351.450 2.906 20 30 FFEDLO OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@@H+]1Cc1ccc(C(F)(F)F)c(F)c1 ZINC001204862795 1031455600 /nfs/dbraw/zinc/45/56/00/1031455600.db2.gz PUMBUNLIZUADNO-CABZTGNLSA-N 1 2 361.257 2.705 20 30 FFEDLO OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@H+]1Cc1ccc(C(F)(F)F)c(F)c1 ZINC001204862795 1031455610 /nfs/dbraw/zinc/45/56/10/1031455610.db2.gz PUMBUNLIZUADNO-CABZTGNLSA-N 1 2 361.257 2.705 20 30 FFEDLO C=CCCC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](Cc2ccns2)C[C@H]1O ZINC001205103291 1031526685 /nfs/dbraw/zinc/52/66/85/1031526685.db2.gz QNCYMAPLIGHAPK-RTBURBONSA-N 1 2 371.506 2.683 20 30 FFEDLO C=CCCC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](Cc2ccns2)C[C@H]1O ZINC001205103291 1031526692 /nfs/dbraw/zinc/52/66/92/1031526692.db2.gz QNCYMAPLIGHAPK-RTBURBONSA-N 1 2 371.506 2.683 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001115579835 1031875578 /nfs/dbraw/zinc/87/55/78/1031875578.db2.gz FBJGHZQDPVSPEQ-SCTDSRPQSA-N 1 2 358.486 2.805 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000799942838 1031928876 /nfs/dbraw/zinc/92/88/76/1031928876.db2.gz HEUVNTONIIDEAG-UHFFFAOYSA-N 1 2 362.393 2.854 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]3CC[N@@H+](Cc4nncn4C)[C@H]3C2)CCCCC1 ZINC001223674577 1033545495 /nfs/dbraw/zinc/54/54/95/1033545495.db2.gz JBJJUTQZUGSGJM-MSOLQXFVSA-N 1 2 371.529 2.765 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]3CC[N@H+](Cc4nncn4C)[C@H]3C2)CCCCC1 ZINC001223674577 1033545503 /nfs/dbraw/zinc/54/55/03/1033545503.db2.gz JBJJUTQZUGSGJM-MSOLQXFVSA-N 1 2 371.529 2.765 20 30 FFEDLO CCCC[C@@H](CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001219235543 1033567543 /nfs/dbraw/zinc/56/75/43/1033567543.db2.gz XYUFLSUMUIGGDV-LZQZEXGQSA-N 1 2 361.461 2.575 20 30 FFEDLO CCCC[C@@H](CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001219235543 1033567552 /nfs/dbraw/zinc/56/75/52/1033567552.db2.gz XYUFLSUMUIGGDV-LZQZEXGQSA-N 1 2 361.461 2.575 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(C)C)n2)C[C@@H]1O ZINC001219703002 1033770927 /nfs/dbraw/zinc/77/09/27/1033770927.db2.gz QGHNIKWHONPZIS-SJORKVTESA-N 1 2 365.905 2.645 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(C)C)n2)C[C@@H]1O ZINC001219703002 1033770944 /nfs/dbraw/zinc/77/09/44/1033770944.db2.gz QGHNIKWHONPZIS-SJORKVTESA-N 1 2 365.905 2.645 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccc2Cl)C[C@@H]1O ZINC001219706908 1033776603 /nfs/dbraw/zinc/77/66/03/1033776603.db2.gz UKVBKEIOUBDYEP-SJORKVTESA-N 1 2 366.889 2.612 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccc2Cl)C[C@@H]1O ZINC001219706908 1033776613 /nfs/dbraw/zinc/77/66/13/1033776613.db2.gz UKVBKEIOUBDYEP-SJORKVTESA-N 1 2 366.889 2.612 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)cc2F)C[C@@H]1O ZINC001219709256 1033777824 /nfs/dbraw/zinc/77/78/24/1033777824.db2.gz XFASCMGECYXMQE-VUCTXSBTSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)cc2F)C[C@@H]1O ZINC001219709256 1033777834 /nfs/dbraw/zinc/77/78/34/1033777834.db2.gz XFASCMGECYXMQE-VUCTXSBTSA-N 1 2 352.425 2.789 20 30 FFEDLO C=C1CCC(CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000830980279 1033895232 /nfs/dbraw/zinc/89/52/32/1033895232.db2.gz OHGQOCGWWLFXGY-IBGZPJMESA-N 1 2 372.513 2.880 20 30 FFEDLO C=C1CCC(CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000830980279 1033895243 /nfs/dbraw/zinc/89/52/43/1033895243.db2.gz OHGQOCGWWLFXGY-IBGZPJMESA-N 1 2 372.513 2.880 20 30 FFEDLO N#CCCCN1CC[C@]2(CC[N@@H+](Cc3cc(F)c(O)c(Cl)c3)C2)C1=O ZINC001276998012 1034011962 /nfs/dbraw/zinc/01/19/62/1034011962.db2.gz BVOGJKNVNQOKNJ-SFHVURJKSA-N 1 2 365.836 2.913 20 30 FFEDLO N#CCCCN1CC[C@]2(CC[N@H+](Cc3cc(F)c(O)c(Cl)c3)C2)C1=O ZINC001276998012 1034011970 /nfs/dbraw/zinc/01/19/70/1034011970.db2.gz BVOGJKNVNQOKNJ-SFHVURJKSA-N 1 2 365.836 2.913 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3csc(C(F)(F)F)c3)C2)OCC1=O ZINC001276996183 1034026758 /nfs/dbraw/zinc/02/67/58/1034026758.db2.gz GVDASMPXISCTSV-HNNXBMFYSA-N 1 2 360.401 2.756 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3csc(C(F)(F)F)c3)C2)OCC1=O ZINC001276996183 1034026760 /nfs/dbraw/zinc/02/67/60/1034026760.db2.gz GVDASMPXISCTSV-HNNXBMFYSA-N 1 2 360.401 2.756 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ccc(F)c(F)c3)C[C@@H]2O)CC1 ZINC001220291582 1034102438 /nfs/dbraw/zinc/10/24/38/1034102438.db2.gz CEXOWBJBYNFGIY-VHSSKADRSA-N 1 2 364.436 2.934 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ccc(F)c(F)c3)C[C@@H]2O)CC1 ZINC001220291582 1034102449 /nfs/dbraw/zinc/10/24/49/1034102449.db2.gz CEXOWBJBYNFGIY-VHSSKADRSA-N 1 2 364.436 2.934 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O)C1CCCCC1 ZINC001220539891 1034245073 /nfs/dbraw/zinc/24/50/73/1034245073.db2.gz WITXMVQRFFUJMK-HBGVWJBISA-N 1 2 369.509 2.826 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O)C1CCCCC1 ZINC001220539891 1034245084 /nfs/dbraw/zinc/24/50/84/1034245084.db2.gz WITXMVQRFFUJMK-HBGVWJBISA-N 1 2 369.509 2.826 20 30 FFEDLO CC[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O)C(C)(C)C ZINC001220746735 1034370493 /nfs/dbraw/zinc/37/04/93/1034370493.db2.gz LLLQGUKCHXCHFJ-XYPHTWIQSA-N 1 2 363.527 2.743 20 30 FFEDLO CC[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O)C(C)(C)C ZINC001220746735 1034370508 /nfs/dbraw/zinc/37/05/08/1034370508.db2.gz LLLQGUKCHXCHFJ-XYPHTWIQSA-N 1 2 363.527 2.743 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC001138530100 1034380151 /nfs/dbraw/zinc/38/01/51/1034380151.db2.gz GEXOPEYZEBZDTR-UHFFFAOYSA-N 1 2 362.462 2.794 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2COC)cc1 ZINC001138556290 1034408750 /nfs/dbraw/zinc/40/87/50/1034408750.db2.gz NPPZMQWFAFLAMD-SFHVURJKSA-N 1 2 374.481 2.766 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2COC)cc1 ZINC001138556290 1034408754 /nfs/dbraw/zinc/40/87/54/1034408754.db2.gz NPPZMQWFAFLAMD-SFHVURJKSA-N 1 2 374.481 2.766 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)s2)C[C@@H]1O ZINC001220835333 1034419771 /nfs/dbraw/zinc/41/97/71/1034419771.db2.gz ZSESHNSSCQUGSC-SJORKVTESA-N 1 2 353.532 2.863 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@@H]1O ZINC001220835333 1034419773 /nfs/dbraw/zinc/41/97/73/1034419773.db2.gz ZSESHNSSCQUGSC-SJORKVTESA-N 1 2 353.532 2.863 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@@H]1O)c1ccccc1 ZINC001221048550 1034526430 /nfs/dbraw/zinc/52/64/30/1034526430.db2.gz VTESWQSOBVXVCA-SXLOBPIMSA-N 1 2 370.880 2.971 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@@H]1O)c1ccccc1 ZINC001221048550 1034526442 /nfs/dbraw/zinc/52/64/42/1034526442.db2.gz VTESWQSOBVXVCA-SXLOBPIMSA-N 1 2 370.880 2.971 20 30 FFEDLO Cc1cc(=O)[nH]c(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C#N ZINC001226222478 1034578527 /nfs/dbraw/zinc/57/85/27/1034578527.db2.gz CYASEAZEAXQORI-KRWDZBQOSA-N 1 2 353.422 2.637 20 30 FFEDLO Cc1cc(=O)[nH]c(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1C#N ZINC001226222478 1034578530 /nfs/dbraw/zinc/57/85/30/1034578530.db2.gz CYASEAZEAXQORI-KRWDZBQOSA-N 1 2 353.422 2.637 20 30 FFEDLO N#CCSCC(=O)N1C[C@H]2CC[N@@H+](Cc3sccc3Cl)C[C@H]21 ZINC001221289233 1034651430 /nfs/dbraw/zinc/65/14/30/1034651430.db2.gz KFGPTCTYMFKPFC-DGCLKSJQSA-N 1 2 355.916 2.691 20 30 FFEDLO N#CCSCC(=O)N1C[C@H]2CC[N@H+](Cc3sccc3Cl)C[C@H]21 ZINC001221289233 1034651436 /nfs/dbraw/zinc/65/14/36/1034651436.db2.gz KFGPTCTYMFKPFC-DGCLKSJQSA-N 1 2 355.916 2.691 20 30 FFEDLO CCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001221305159 1034663185 /nfs/dbraw/zinc/66/31/85/1034663185.db2.gz NQCKTXDEQXAQRS-SZVBFZGTSA-N 1 2 360.885 2.649 20 30 FFEDLO CCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001221305159 1034663197 /nfs/dbraw/zinc/66/31/97/1034663197.db2.gz NQCKTXDEQXAQRS-SZVBFZGTSA-N 1 2 360.885 2.649 20 30 FFEDLO N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2cn3ccc(Cl)cc3n2)C1=O ZINC001277130478 1034700119 /nfs/dbraw/zinc/70/01/19/1034700119.db2.gz KSGUIAHTTPJNPZ-IBGZPJMESA-N 1 2 371.872 2.858 20 30 FFEDLO N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cn3ccc(Cl)cc3n2)C1=O ZINC001277130478 1034700132 /nfs/dbraw/zinc/70/01/32/1034700132.db2.gz KSGUIAHTTPJNPZ-IBGZPJMESA-N 1 2 371.872 2.858 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(F)c3F)C[C@H]21 ZINC001221423717 1034739873 /nfs/dbraw/zinc/73/98/73/1034739873.db2.gz PDGIXOBJCYKKMH-IIDMSEBBSA-N 1 2 364.436 2.979 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(F)c3F)C[C@H]21 ZINC001221423717 1034739880 /nfs/dbraw/zinc/73/98/80/1034739880.db2.gz PDGIXOBJCYKKMH-IIDMSEBBSA-N 1 2 364.436 2.979 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+](Cc3nsc4ccccc43)C[C@H]21 ZINC001221441841 1034765480 /nfs/dbraw/zinc/76/54/80/1034765480.db2.gz WOZVGRLHRHHTMT-RHSMWYFYSA-N 1 2 357.479 2.532 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3nsc4ccccc43)C[C@H]21 ZINC001221441841 1034765492 /nfs/dbraw/zinc/76/54/92/1034765492.db2.gz WOZVGRLHRHHTMT-RHSMWYFYSA-N 1 2 357.479 2.532 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221471347 1034795576 /nfs/dbraw/zinc/79/55/76/1034795576.db2.gz ZMLNOQWEXVVQDF-YLJYHZDGSA-N 1 2 371.456 2.713 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221471347 1034795589 /nfs/dbraw/zinc/79/55/89/1034795589.db2.gz ZMLNOQWEXVVQDF-YLJYHZDGSA-N 1 2 371.456 2.713 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnsc2Cl)CCC1 ZINC001226720216 1034803766 /nfs/dbraw/zinc/80/37/66/1034803766.db2.gz GPKYEBXFCMJJCX-CHWSQXEVSA-N 1 2 366.918 2.902 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3C)C[C@H]21 ZINC001221488692 1034812981 /nfs/dbraw/zinc/81/29/81/1034812981.db2.gz UCOVOVBNZCSPCM-UYAOXDASSA-N 1 2 367.493 2.660 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccccc3C)C[C@H]21 ZINC001221488692 1034812992 /nfs/dbraw/zinc/81/29/92/1034812992.db2.gz UCOVOVBNZCSPCM-UYAOXDASSA-N 1 2 367.493 2.660 20 30 FFEDLO C=CCOc1ccccc1C[NH+]1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001139030434 1034895993 /nfs/dbraw/zinc/89/59/93/1034895993.db2.gz MXYGZLRRYKRZPJ-UHFFFAOYSA-N 1 2 364.493 2.653 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCc3ccc(C)cc3)C[C@H]21 ZINC001221584985 1034897838 /nfs/dbraw/zinc/89/78/38/1034897838.db2.gz MVFVFTCQNZWKRQ-WOJBJXKFSA-N 1 2 369.509 2.500 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCc3ccc(C)cc3)C[C@H]21 ZINC001221584985 1034897850 /nfs/dbraw/zinc/89/78/50/1034897850.db2.gz MVFVFTCQNZWKRQ-WOJBJXKFSA-N 1 2 369.509 2.500 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccc3nsnc3c1)CCC2 ZINC001139211840 1035008346 /nfs/dbraw/zinc/00/83/46/1035008346.db2.gz QGLSQUREGYDZOP-UHFFFAOYSA-N 1 2 355.467 2.996 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccc3nsnc3c1)CCC2 ZINC001139211840 1035008354 /nfs/dbraw/zinc/00/83/54/1035008354.db2.gz QGLSQUREGYDZOP-UHFFFAOYSA-N 1 2 355.467 2.996 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCCC(C)(C)C)C[C@H]21 ZINC001221760359 1035045213 /nfs/dbraw/zinc/04/52/13/1035045213.db2.gz DGCKMUXBSRIUGD-RCCFBDPRSA-N 1 2 363.546 2.674 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCCC(C)(C)C)C[C@H]21 ZINC001221760359 1035045225 /nfs/dbraw/zinc/04/52/25/1035045225.db2.gz DGCKMUXBSRIUGD-RCCFBDPRSA-N 1 2 363.546 2.674 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3cccc(OC)c3)C[C@H]21 ZINC001221783913 1035064473 /nfs/dbraw/zinc/06/44/73/1035064473.db2.gz WXMMLWUAUJZCQI-VQIMIIECSA-N 1 2 371.481 2.523 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3cccc(OC)c3)C[C@H]21 ZINC001221783913 1035064477 /nfs/dbraw/zinc/06/44/77/1035064477.db2.gz WXMMLWUAUJZCQI-VQIMIIECSA-N 1 2 371.481 2.523 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cnc(OC)nc4C)C[C@H]32)CC1 ZINC001221795220 1035075849 /nfs/dbraw/zinc/07/58/49/1035075849.db2.gz PBMGDLMXHFSHHB-SJLPKXTDSA-N 1 2 370.497 2.573 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cnc(OC)nc4C)C[C@H]32)CC1 ZINC001221795220 1035075853 /nfs/dbraw/zinc/07/58/53/1035075853.db2.gz PBMGDLMXHFSHHB-SJLPKXTDSA-N 1 2 370.497 2.573 20 30 FFEDLO COC(=O)c1ccccc1N1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001139529087 1035149046 /nfs/dbraw/zinc/14/90/46/1035149046.db2.gz JMDGXYPULBMEFH-UHFFFAOYSA-N 1 2 353.397 2.806 20 30 FFEDLO COCCN1C(=O)CCC12CC[NH+](Cc1cccc(Cl)c1C#N)CC2 ZINC001139690448 1035198702 /nfs/dbraw/zinc/19/87/02/1035198702.db2.gz BJWUFQOATADCIQ-UHFFFAOYSA-N 1 2 361.873 2.815 20 30 FFEDLO COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1C#N ZINC001536116443 1069924889 /nfs/dbraw/zinc/92/48/89/1069924889.db2.gz IMIABEDSHXCLIP-UHFFFAOYSA-N 1 2 363.333 2.913 20 30 FFEDLO COC(=O)c1c(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)c2ccccc2n1C ZINC001232400265 1035649880 /nfs/dbraw/zinc/64/98/80/1035649880.db2.gz CSEHBOYCYVNWGJ-INIZCTEOSA-N 1 2 356.447 2.739 20 30 FFEDLO COC(=O)c1c(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c2ccccc2n1C ZINC001232400265 1035649888 /nfs/dbraw/zinc/64/98/88/1035649888.db2.gz CSEHBOYCYVNWGJ-INIZCTEOSA-N 1 2 356.447 2.739 20 30 FFEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)c1 ZINC001140598899 1035697854 /nfs/dbraw/zinc/69/78/54/1035697854.db2.gz ITNBVYAFCJNECR-RTBURBONSA-N 1 2 366.852 2.982 20 30 FFEDLO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)c1 ZINC001140598899 1035697866 /nfs/dbraw/zinc/69/78/66/1035697866.db2.gz ITNBVYAFCJNECR-RTBURBONSA-N 1 2 366.852 2.982 20 30 FFEDLO C=CCOC(=O)N1CC[NH+](Cc2ccc(-n3cnc(C)c3)c(OC)c2)CC1 ZINC001232567150 1035820066 /nfs/dbraw/zinc/82/00/66/1035820066.db2.gz PPZXCYZQNPWYPH-UHFFFAOYSA-N 1 2 370.453 2.630 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnsc1Cl ZINC001228061610 1035909534 /nfs/dbraw/zinc/90/95/34/1035909534.db2.gz PXXLKHNXWOGROE-CHWSQXEVSA-N 1 2 354.907 2.902 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c1 ZINC001232680258 1035938362 /nfs/dbraw/zinc/93/83/62/1035938362.db2.gz AWGLPMOVTNQBRK-ZDUSSCGKSA-N 1 2 364.327 2.726 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c1 ZINC001232680258 1035938370 /nfs/dbraw/zinc/93/83/70/1035938370.db2.gz AWGLPMOVTNQBRK-ZDUSSCGKSA-N 1 2 364.327 2.726 20 30 FFEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1cc(F)c(C#N)c(F)c1)C2 ZINC001140756842 1036070600 /nfs/dbraw/zinc/07/06/00/1036070600.db2.gz CYJYRZXMYZWZSM-UHFFFAOYSA-N 1 2 374.439 2.674 20 30 FFEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1cc(F)c(C#N)c(F)c1)C2 ZINC001140756842 1036070618 /nfs/dbraw/zinc/07/06/18/1036070618.db2.gz CYJYRZXMYZWZSM-UHFFFAOYSA-N 1 2 374.439 2.674 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCCCn4cccn4)CC[C@@H]32)s1 ZINC001232843294 1036100610 /nfs/dbraw/zinc/10/06/10/1036100610.db2.gz LLHZUZGTEOKYRM-IPMKNSEASA-N 1 2 372.494 2.655 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCCCn4cccn4)CC[C@@H]32)s1 ZINC001232843294 1036100616 /nfs/dbraw/zinc/10/06/16/1036100616.db2.gz LLHZUZGTEOKYRM-IPMKNSEASA-N 1 2 372.494 2.655 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](Oc2ccc(C(N)=O)cc2)C1 ZINC001232892434 1036134654 /nfs/dbraw/zinc/13/46/54/1036134654.db2.gz KAAPFAPVPLCVAQ-IBGZPJMESA-N 1 2 353.397 2.840 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](Oc2ccc(C(N)=O)cc2)C1 ZINC001232892434 1036134662 /nfs/dbraw/zinc/13/46/62/1036134662.db2.gz KAAPFAPVPLCVAQ-IBGZPJMESA-N 1 2 353.397 2.840 20 30 FFEDLO N#Cc1cccc(C[NH+]2CCC(C(=O)N3CCC(=O)CC3)CC2)c1Cl ZINC001140809741 1036204061 /nfs/dbraw/zinc/20/40/61/1036204061.db2.gz FXAKOQHVIRXQIQ-UHFFFAOYSA-N 1 2 359.857 2.615 20 30 FFEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@]2(C1)COCCN(c1ncccc1F)C2 ZINC001233045916 1036291497 /nfs/dbraw/zinc/29/14/97/1036291497.db2.gz YPEYHPSWWSMCBP-HXUWFJFHSA-N 1 2 369.444 2.539 20 30 FFEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@]2(C1)COCCN(c1ncccc1F)C2 ZINC001233045916 1036291511 /nfs/dbraw/zinc/29/15/11/1036291511.db2.gz YPEYHPSWWSMCBP-HXUWFJFHSA-N 1 2 369.444 2.539 20 30 FFEDLO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1nc3ccccn3n1)[C@@H]2CC ZINC001233070337 1036312371 /nfs/dbraw/zinc/31/23/71/1036312371.db2.gz QDMZENFETFLQRY-UZLBHIALSA-N 1 2 353.470 2.651 20 30 FFEDLO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1nc3ccccn3n1)[C@@H]2CC ZINC001233070337 1036312387 /nfs/dbraw/zinc/31/23/87/1036312387.db2.gz QDMZENFETFLQRY-UZLBHIALSA-N 1 2 353.470 2.651 20 30 FFEDLO C#CCOc1ccc(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000836241347 1036344990 /nfs/dbraw/zinc/34/49/90/1036344990.db2.gz RCBQYMAHIKREJN-UHFFFAOYSA-N 1 2 364.449 2.562 20 30 FFEDLO CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233100679 1036346370 /nfs/dbraw/zinc/34/63/70/1036346370.db2.gz KKBIKOSGAFJARM-HNNXBMFYSA-N 1 2 371.460 2.628 20 30 FFEDLO CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233100679 1036346380 /nfs/dbraw/zinc/34/63/80/1036346380.db2.gz KKBIKOSGAFJARM-HNNXBMFYSA-N 1 2 371.460 2.628 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(O)c1 ZINC001233385403 1036585653 /nfs/dbraw/zinc/58/56/53/1036585653.db2.gz GXTHHWSHYGNGKH-UYAOXDASSA-N 1 2 367.424 2.740 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(O)c1 ZINC001233385403 1036585661 /nfs/dbraw/zinc/58/56/61/1036585661.db2.gz GXTHHWSHYGNGKH-UYAOXDASSA-N 1 2 367.424 2.740 20 30 FFEDLO C[N@@H+]1CCC[C@@H](Oc2ccc(O)c3c2C(=O)C(Cl)=C(Cl)C3=O)C1 ZINC001229379124 1036640727 /nfs/dbraw/zinc/64/07/27/1036640727.db2.gz RCABCCYCNUKDCA-MRVPVSSYSA-N 1 2 356.205 2.933 20 30 FFEDLO C[N@H+]1CCC[C@@H](Oc2ccc(O)c3c2C(=O)C(Cl)=C(Cl)C3=O)C1 ZINC001229379124 1036640729 /nfs/dbraw/zinc/64/07/29/1036640729.db2.gz RCABCCYCNUKDCA-MRVPVSSYSA-N 1 2 356.205 2.933 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3nc4ccc(F)cc4[nH]3)CC2)C1=O ZINC001277409902 1036829601 /nfs/dbraw/zinc/82/96/01/1036829601.db2.gz HHFYGMFWXZEPMS-FQEVSTJZSA-N 1 2 354.429 2.540 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+](Cc3nc4ccc(F)cc4[nH]3)CC2)C1=O ZINC001277409902 1036829619 /nfs/dbraw/zinc/82/96/19/1036829619.db2.gz HHFYGMFWXZEPMS-FQEVSTJZSA-N 1 2 354.429 2.540 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[NH+]1CC2(C1)CN([C@@H](C)CC)C(=O)CO2 ZINC001277840224 1036964004 /nfs/dbraw/zinc/96/40/04/1036964004.db2.gz AEBRWRWMMLPTAU-ZWKOTPCHSA-N 1 2 352.519 2.586 20 30 FFEDLO C=CCCCCCC[C@H](O)C[N@@H+]1C[C@]2(F)CN(CC=C)C(=O)[C@]2(F)C1 ZINC001277840297 1036965889 /nfs/dbraw/zinc/96/58/89/1036965889.db2.gz BZLFAHBVTXOOCE-YTQUADARSA-N 1 2 356.457 2.634 20 30 FFEDLO C=CCCCCCC[C@H](O)C[N@H+]1C[C@]2(F)CN(CC=C)C(=O)[C@]2(F)C1 ZINC001277840297 1036965903 /nfs/dbraw/zinc/96/59/03/1036965903.db2.gz BZLFAHBVTXOOCE-YTQUADARSA-N 1 2 356.457 2.634 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2noc3c2CC(C)(C)CC3)C[C@H]1C ZINC001206946993 1036966818 /nfs/dbraw/zinc/96/68/18/1036966818.db2.gz AJPOZDFMPDNNHS-NVXWUHKLSA-N 1 2 357.498 2.785 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2noc3c2CC(C)(C)CC3)C[C@H]1C ZINC001206946993 1036966825 /nfs/dbraw/zinc/96/68/25/1036966825.db2.gz AJPOZDFMPDNNHS-NVXWUHKLSA-N 1 2 357.498 2.785 20 30 FFEDLO CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(C#N)c1F)C2 ZINC001276506160 1037122682 /nfs/dbraw/zinc/12/26/82/1037122682.db2.gz LTKMEESDQMHPHN-QRWLVFNGSA-N 1 2 359.445 2.547 20 30 FFEDLO CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccc(C#N)c1F)C2 ZINC001276506160 1037122691 /nfs/dbraw/zinc/12/26/91/1037122691.db2.gz LTKMEESDQMHPHN-QRWLVFNGSA-N 1 2 359.445 2.547 20 30 FFEDLO Cn1cc(C[N@@H+]2CCC[C@@H](c3cccc(S(C)(=O)=O)c3)C2)cc1C#N ZINC001207110382 1037155685 /nfs/dbraw/zinc/15/56/85/1037155685.db2.gz JTVLOMTYHQIAHB-QGZVFWFLSA-N 1 2 357.479 2.680 20 30 FFEDLO Cn1cc(C[N@H+]2CCC[C@@H](c3cccc(S(C)(=O)=O)c3)C2)cc1C#N ZINC001207110382 1037155694 /nfs/dbraw/zinc/15/56/94/1037155694.db2.gz JTVLOMTYHQIAHB-QGZVFWFLSA-N 1 2 357.479 2.680 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc3n(n2)CCCC3)C[C@H]1C ZINC001207145264 1037189922 /nfs/dbraw/zinc/18/99/22/1037189922.db2.gz IMIPOOZHWMDSRJ-CXAGYDPISA-N 1 2 364.921 2.935 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc3n(n2)CCCC3)C[C@H]1C ZINC001207145264 1037189930 /nfs/dbraw/zinc/18/99/30/1037189930.db2.gz IMIPOOZHWMDSRJ-CXAGYDPISA-N 1 2 364.921 2.935 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@@H](C)c2cccs2)C[C@H]1C ZINC001207190267 1037232999 /nfs/dbraw/zinc/23/29/99/1037232999.db2.gz KLEOEPVMNAQZSS-OWCLPIDISA-N 1 2 363.527 2.718 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)c2cccs2)C[C@H]1C ZINC001207190267 1037233015 /nfs/dbraw/zinc/23/30/15/1037233015.db2.gz KLEOEPVMNAQZSS-OWCLPIDISA-N 1 2 363.527 2.718 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(COC)CCCC2)C1 ZINC001207405970 1037420799 /nfs/dbraw/zinc/42/07/99/1037420799.db2.gz MMAWVNDYVFZSHY-TZMCWYRMSA-N 1 2 359.308 2.538 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(COC)CCCC2)C1 ZINC001207405970 1037420806 /nfs/dbraw/zinc/42/08/06/1037420806.db2.gz MMAWVNDYVFZSHY-TZMCWYRMSA-N 1 2 359.308 2.538 20 30 FFEDLO CC(=O)[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)cc(C#N)c1)CC2 ZINC001277480039 1037438904 /nfs/dbraw/zinc/43/89/04/1037438904.db2.gz ZSCZHQFLSUUGAT-UGSOOPFHSA-N 1 2 373.884 2.907 20 30 FFEDLO COC(=O)c1cccc2c1OCC[N@H+](Cc1cc(C#N)ccc1N(C)C)C2 ZINC001207699766 1037664665 /nfs/dbraw/zinc/66/46/65/1037664665.db2.gz GMCPWIPAQQPPDQ-UHFFFAOYSA-N 1 2 365.433 2.805 20 30 FFEDLO COC(=O)c1cccc2c1OCC[N@@H+](Cc1cc(C#N)ccc1N(C)C)C2 ZINC001207699766 1037664668 /nfs/dbraw/zinc/66/46/68/1037664668.db2.gz GMCPWIPAQQPPDQ-UHFFFAOYSA-N 1 2 365.433 2.805 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2cnc(-c3ccccc3)nc2C)CC1 ZINC001231800216 1037921998 /nfs/dbraw/zinc/92/19/98/1037921998.db2.gz HEQTZABHWQSBLA-UHFFFAOYSA-N 1 2 350.422 2.731 20 30 FFEDLO COCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001207991763 1037924773 /nfs/dbraw/zinc/92/47/73/1037924773.db2.gz YGCGNBVYGYDZTQ-CRAIPNDOSA-N 1 2 362.901 2.801 20 30 FFEDLO COCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001207991763 1037924779 /nfs/dbraw/zinc/92/47/79/1037924779.db2.gz YGCGNBVYGYDZTQ-CRAIPNDOSA-N 1 2 362.901 2.801 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2nc(C)cs2)C[C@H]1C ZINC001208129674 1038067664 /nfs/dbraw/zinc/06/76/64/1038067664.db2.gz ZYJDYRCEIWELCW-DDUZABMNSA-N 1 2 351.516 2.617 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)cs2)C[C@H]1C ZINC001208129674 1038067681 /nfs/dbraw/zinc/06/76/81/1038067681.db2.gz ZYJDYRCEIWELCW-DDUZABMNSA-N 1 2 351.516 2.617 20 30 FFEDLO CCC[C@@H](OC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001208288982 1038191874 /nfs/dbraw/zinc/19/18/74/1038191874.db2.gz JNLPKTYEBUEPDY-ATZDWAIDSA-N 1 2 362.901 2.943 20 30 FFEDLO CCC[C@@H](OC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001208288982 1038191879 /nfs/dbraw/zinc/19/18/79/1038191879.db2.gz JNLPKTYEBUEPDY-ATZDWAIDSA-N 1 2 362.901 2.943 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3occc3C)o2)C[C@H]1C ZINC001208374640 1038262475 /nfs/dbraw/zinc/26/24/75/1038262475.db2.gz QSTAQLOIBNXNHE-HZPDHXFCSA-N 1 2 370.453 2.768 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3occc3C)o2)C[C@H]1C ZINC001208374640 1038262481 /nfs/dbraw/zinc/26/24/81/1038262481.db2.gz QSTAQLOIBNXNHE-HZPDHXFCSA-N 1 2 370.453 2.768 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccco3)no2)C[C@H]1C ZINC001208393608 1038280443 /nfs/dbraw/zinc/28/04/43/1038280443.db2.gz UIAIKWLRGUVAFL-RBSFLKMASA-N 1 2 358.442 2.868 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccco3)no2)C[C@H]1C ZINC001208393608 1038280445 /nfs/dbraw/zinc/28/04/45/1038280445.db2.gz UIAIKWLRGUVAFL-RBSFLKMASA-N 1 2 358.442 2.868 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001208393887 1038280607 /nfs/dbraw/zinc/28/06/07/1038280607.db2.gz ZARAVRVTMXQLBD-MBOZVWFJSA-N 1 2 367.497 2.806 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001208393887 1038280612 /nfs/dbraw/zinc/28/06/12/1038280612.db2.gz ZARAVRVTMXQLBD-MBOZVWFJSA-N 1 2 367.497 2.806 20 30 FFEDLO C=CCN(CC[N@@H+]1CCC[C@@H]2[C@@H]1CN2C(=O)OC(C)(C)C)C(=O)OCC ZINC001209019378 1038635802 /nfs/dbraw/zinc/63/58/02/1038635802.db2.gz MUASBSLXPGNHCX-CVEARBPZSA-N 1 2 367.490 2.715 20 30 FFEDLO C=CCN(CC[N@H+]1CCC[C@@H]2[C@@H]1CN2C(=O)OC(C)(C)C)C(=O)OCC ZINC001209019378 1038635808 /nfs/dbraw/zinc/63/58/08/1038635808.db2.gz MUASBSLXPGNHCX-CVEARBPZSA-N 1 2 367.490 2.715 20 30 FFEDLO C=C(C)Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3COCCOC)cc1 ZINC001278610051 1038774173 /nfs/dbraw/zinc/77/41/73/1038774173.db2.gz WUGAQQXTJJCELO-PMACEKPBSA-N 1 2 358.482 2.715 20 30 FFEDLO C=C(C)Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3COCCOC)cc1 ZINC001278610051 1038774181 /nfs/dbraw/zinc/77/41/81/1038774181.db2.gz WUGAQQXTJJCELO-PMACEKPBSA-N 1 2 358.482 2.715 20 30 FFEDLO N#Cc1ccc(Cl)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3Cc2ccc[nH]2)c1 ZINC001278611723 1038786647 /nfs/dbraw/zinc/78/66/47/1038786647.db2.gz KRJYOMBTFFUKFC-HDICACEKSA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1ccc(Cl)c(C[N@H+]2C[C@@H]3COC[C@H](C2)N3Cc2ccc[nH]2)c1 ZINC001278611723 1038786658 /nfs/dbraw/zinc/78/66/58/1038786658.db2.gz KRJYOMBTFFUKFC-HDICACEKSA-N 1 2 356.857 2.625 20 30 FFEDLO CCOC(=O)[C@H](CS)[NH2+]C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001257488056 1038831013 /nfs/dbraw/zinc/83/10/13/1038831013.db2.gz JXPCTFJJRPOHHY-PREGVCBESA-N 1 2 371.543 2.930 20 30 FFEDLO C=CC[NH+]1CCN(C[C@@H](O)COc2cccc3[nH]c4ccccc4c32)CC1 ZINC001251091031 1038942847 /nfs/dbraw/zinc/94/28/47/1038942847.db2.gz POMZONRLEYRLOC-QGZVFWFLSA-N 1 2 365.477 2.864 20 30 FFEDLO N#CC1(NS(=O)(=O)c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC001251170290 1038983145 /nfs/dbraw/zinc/98/31/45/1038983145.db2.gz PLCSZFABNSJKGC-UHFFFAOYSA-N 1 2 355.463 2.523 20 30 FFEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC(F)(F)F)ccc1O ZINC001279056576 1039047280 /nfs/dbraw/zinc/04/72/80/1039047280.db2.gz IPRGYDAXZJYPCA-GASCZTMLSA-N 1 2 367.371 2.895 20 30 FFEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC(F)(F)F)ccc1O ZINC001279056576 1039047299 /nfs/dbraw/zinc/04/72/99/1039047299.db2.gz IPRGYDAXZJYPCA-GASCZTMLSA-N 1 2 367.371 2.895 20 30 FFEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(Br)cnn1C)C2 ZINC001209709283 1039144576 /nfs/dbraw/zinc/14/45/76/1039144576.db2.gz PXKWLDPREVJHCS-XJKSGUPXSA-N 1 2 370.291 2.509 20 30 FFEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(Br)cnn1C)C2 ZINC001209709283 1039144581 /nfs/dbraw/zinc/14/45/81/1039144581.db2.gz PXKWLDPREVJHCS-XJKSGUPXSA-N 1 2 370.291 2.509 20 30 FFEDLO C=CC[C@@H]1[C@H](OCC[NH+]2CCOCC2)CCCN1C(=O)OC(C)(C)C ZINC001210225462 1039436706 /nfs/dbraw/zinc/43/67/06/1039436706.db2.gz SECXWVKZEVECQD-IAGOWNOFSA-N 1 2 354.491 2.679 20 30 FFEDLO CCCCCCCC[C@H](O)C[N@@H+]1CCCn2c(Cn3cccn3)nnc2C1 ZINC001252128720 1039441165 /nfs/dbraw/zinc/44/11/65/1039441165.db2.gz PZURPQWRUVMBKZ-SFHVURJKSA-N 1 2 374.533 2.840 20 30 FFEDLO CCCCCCCC[C@H](O)C[N@H+]1CCCn2c(Cn3cccn3)nnc2C1 ZINC001252128720 1039441171 /nfs/dbraw/zinc/44/11/71/1039441171.db2.gz PZURPQWRUVMBKZ-SFHVURJKSA-N 1 2 374.533 2.840 20 30 FFEDLO C[C@](O)(CNc1cccc[nH+]1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252313480 1039494299 /nfs/dbraw/zinc/49/42/99/1039494299.db2.gz ZTQNXVKMJQDDLP-INIZCTEOSA-N 1 2 364.327 2.774 20 30 FFEDLO N#Cc1cccc(C(=O)COC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001210369597 1039506564 /nfs/dbraw/zinc/50/65/64/1039506564.db2.gz SNCSNKPFZDSNIQ-FQEVSTJZSA-N 1 2 350.418 2.659 20 30 FFEDLO N#Cc1cccc(C(=O)COC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001210369597 1039506578 /nfs/dbraw/zinc/50/65/78/1039506578.db2.gz SNCSNKPFZDSNIQ-FQEVSTJZSA-N 1 2 350.418 2.659 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H](N2CCC(C#Cc3ccccc3)CC2)C[NH2+]1 ZINC001246924564 1039534771 /nfs/dbraw/zinc/53/47/71/1039534771.db2.gz SWUFBUKSGMOCTG-PMACEKPBSA-N 1 2 354.494 2.822 20 30 FFEDLO C=CCC[C@H](O)CNc1cncnc1[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001252587559 1039603933 /nfs/dbraw/zinc/60/39/33/1039603933.db2.gz FOMNBGYAWVCNOV-ICSRJNTNSA-N 1 2 368.481 2.789 20 30 FFEDLO C=CCC[C@H](O)CNc1cncnc1[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001252587559 1039603940 /nfs/dbraw/zinc/60/39/40/1039603940.db2.gz FOMNBGYAWVCNOV-ICSRJNTNSA-N 1 2 368.481 2.789 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001211231957 1040017845 /nfs/dbraw/zinc/01/78/45/1040017845.db2.gz BQQSPHACXGNWRV-RHSMWYFYSA-N 1 2 361.283 2.773 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001211231957 1040017861 /nfs/dbraw/zinc/01/78/61/1040017861.db2.gz BQQSPHACXGNWRV-RHSMWYFYSA-N 1 2 361.283 2.773 20 30 FFEDLO COCc1ccc(C[NH+]2CC3(CCN3Cc3cc(C#N)n(C)c3)C2)s1 ZINC001278724953 1040211036 /nfs/dbraw/zinc/21/10/36/1040211036.db2.gz JDWNMOXQLKMNOL-UHFFFAOYSA-N 1 2 356.495 2.565 20 30 FFEDLO C#CC[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1C)c1ccccc1 ZINC001211473697 1040237894 /nfs/dbraw/zinc/23/78/94/1040237894.db2.gz YBACZPDJSLFDQJ-YZGWKJHDSA-N 1 2 364.493 2.554 20 30 FFEDLO C#CC[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1C)c1ccccc1 ZINC001211473697 1040237909 /nfs/dbraw/zinc/23/79/09/1040237909.db2.gz YBACZPDJSLFDQJ-YZGWKJHDSA-N 1 2 364.493 2.554 20 30 FFEDLO C=C[C@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(F)cc1 ZINC001253587046 1040251077 /nfs/dbraw/zinc/25/10/77/1040251077.db2.gz YCQRWGYIIUZOOX-DLBZAZTESA-N 1 2 350.434 2.966 20 30 FFEDLO C=C[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(F)cc1 ZINC001253587046 1040251083 /nfs/dbraw/zinc/25/10/83/1040251083.db2.gz YCQRWGYIIUZOOX-DLBZAZTESA-N 1 2 350.434 2.966 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc3ccccc3o2)C[C@H]1OC ZINC001213268331 1040394249 /nfs/dbraw/zinc/39/42/49/1040394249.db2.gz IWQIIZCIMNXRBZ-YSVLISHTSA-N 1 2 357.454 2.916 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc3ccccc3o2)C[C@H]1OC ZINC001213268331 1040394263 /nfs/dbraw/zinc/39/42/63/1040394263.db2.gz IWQIIZCIMNXRBZ-YSVLISHTSA-N 1 2 357.454 2.916 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)CCCC1CC1 ZINC001213305474 1040427654 /nfs/dbraw/zinc/42/76/54/1040427654.db2.gz CYLIMUJGLJIYMV-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)CCCC1CC1 ZINC001213305474 1040427662 /nfs/dbraw/zinc/42/76/62/1040427662.db2.gz CYLIMUJGLJIYMV-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213320331 1040445418 /nfs/dbraw/zinc/44/54/18/1040445418.db2.gz SQVQCLWVXBULCY-GDIGMMSISA-N 1 2 359.445 2.615 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213320331 1040445428 /nfs/dbraw/zinc/44/54/28/1040445428.db2.gz SQVQCLWVXBULCY-GDIGMMSISA-N 1 2 359.445 2.615 20 30 FFEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N ZINC001213391075 1040506056 /nfs/dbraw/zinc/50/60/56/1040506056.db2.gz HARUPACOFXIEAA-UHFFFAOYSA-N 1 2 360.395 2.857 20 30 FFEDLO CCCC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2OC)CC1 ZINC001213409631 1040525269 /nfs/dbraw/zinc/52/52/69/1040525269.db2.gz LOMZIWMAALXJAJ-RTBURBONSA-N 1 2 358.457 2.573 20 30 FFEDLO CCCC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2OC)CC1 ZINC001213409631 1040525289 /nfs/dbraw/zinc/52/52/89/1040525289.db2.gz LOMZIWMAALXJAJ-RTBURBONSA-N 1 2 358.457 2.573 20 30 FFEDLO C[N@H+](Cc1cnn2ccc(C#N)cc12)Cc1cncc(Br)c1 ZINC001249086660 1040574102 /nfs/dbraw/zinc/57/41/02/1040574102.db2.gz MKUXKLBIFRRATE-UHFFFAOYSA-N 1 2 356.227 2.995 20 30 FFEDLO C[N@@H+](Cc1cnn2ccc(C#N)cc12)Cc1cncc(Br)c1 ZINC001249086660 1040574110 /nfs/dbraw/zinc/57/41/10/1040574110.db2.gz MKUXKLBIFRRATE-UHFFFAOYSA-N 1 2 356.227 2.995 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213496737 1040612537 /nfs/dbraw/zinc/61/25/37/1040612537.db2.gz YFRHVTVHEUYUSN-QZTJIDSGSA-N 1 2 359.445 2.615 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213496737 1040612546 /nfs/dbraw/zinc/61/25/46/1040612546.db2.gz YFRHVTVHEUYUSN-QZTJIDSGSA-N 1 2 359.445 2.615 20 30 FFEDLO C=CCO[C@@H]1CCN(c2nc(N3CC[C@@H](OCC=C)C3)c(C3CC3)c[nH+]2)C1 ZINC001254547859 1040790338 /nfs/dbraw/zinc/79/03/38/1040790338.db2.gz ZCVYZRWEIHVCGV-QZTJIDSGSA-N 1 2 370.497 2.917 20 30 FFEDLO CC(C)(C)OC(=O)NCC1C[NH+]([C@@H]2CCCN([C@@H]3CC[C@H](C#N)C3)C2)C1 ZINC001254673570 1040868799 /nfs/dbraw/zinc/86/87/99/1040868799.db2.gz MQWGLFOESFXAKT-CGTJXYLNSA-N 1 2 362.518 2.600 20 30 FFEDLO CC[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1OC)C(C)C ZINC001213747493 1040869003 /nfs/dbraw/zinc/86/90/03/1040869003.db2.gz KIJBCEMJVJYYSG-PWIZWCRZSA-N 1 2 357.498 2.946 20 30 FFEDLO CC[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1OC)C(C)C ZINC001213747493 1040869014 /nfs/dbraw/zinc/86/90/14/1040869014.db2.gz KIJBCEMJVJYYSG-PWIZWCRZSA-N 1 2 357.498 2.946 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C(C)(C)C(C)(F)F ZINC001213790488 1040911315 /nfs/dbraw/zinc/91/13/15/1040911315.db2.gz FLGIZMDLSAAEAF-ZIAGYGMSSA-N 1 2 371.453 2.617 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C(C)(C)C(C)(F)F ZINC001213790488 1040911325 /nfs/dbraw/zinc/91/13/25/1040911325.db2.gz FLGIZMDLSAAEAF-ZIAGYGMSSA-N 1 2 371.453 2.617 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([N@@H+]3CC[C@@H]4SC(=O)C=C4C3)C[C@@H]2C1 ZINC001254905813 1041040631 /nfs/dbraw/zinc/04/06/31/1041040631.db2.gz UKVLSINYZCPYHE-XNISGKROSA-N 1 2 364.511 2.906 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([N@H+]3CC[C@@H]4SC(=O)C=C4C3)C[C@@H]2C1 ZINC001254905813 1041040641 /nfs/dbraw/zinc/04/06/41/1041040641.db2.gz UKVLSINYZCPYHE-XNISGKROSA-N 1 2 364.511 2.906 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccns2)C[C@H]1OC)c1ccccc1 ZINC001213895489 1041040705 /nfs/dbraw/zinc/04/07/05/1041040705.db2.gz DECFPLUHAIXMJK-GUDVDZBRSA-N 1 2 371.506 2.818 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccns2)C[C@H]1OC)c1ccccc1 ZINC001213895489 1041040720 /nfs/dbraw/zinc/04/07/20/1041040720.db2.gz DECFPLUHAIXMJK-GUDVDZBRSA-N 1 2 371.506 2.818 20 30 FFEDLO Cn1cc(CN2CCC3(C[NH+](Cc4ccc(Cl)cc4O)C3)C2)cc1C#N ZINC001278557670 1041147527 /nfs/dbraw/zinc/14/75/27/1041147527.db2.gz MBDSDPIBLVBBTM-UHFFFAOYSA-N 1 2 370.884 2.964 20 30 FFEDLO CCOc1c(Cl)cc(C=NOCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC001261378236 1041201345 /nfs/dbraw/zinc/20/13/45/1041201345.db2.gz TZUJPECHCPXGBB-GASCZTMLSA-N 1 2 368.861 2.961 20 30 FFEDLO CCOc1c(Cl)cc(C=NOCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC001261378236 1041201361 /nfs/dbraw/zinc/20/13/61/1041201361.db2.gz TZUJPECHCPXGBB-GASCZTMLSA-N 1 2 368.861 2.961 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](c2ccccc2)C1 ZINC001262873286 1041918896 /nfs/dbraw/zinc/91/88/96/1041918896.db2.gz BQQJIRFTZIQHRI-IBGZPJMESA-N 1 2 364.497 2.902 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001262948421 1041983145 /nfs/dbraw/zinc/98/31/45/1041983145.db2.gz LDOOEGWIWKHWLK-QZTJIDSGSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001262948421 1041983148 /nfs/dbraw/zinc/98/31/48/1041983148.db2.gz LDOOEGWIWKHWLK-QZTJIDSGSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2CC2CCCC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001262988095 1042011906 /nfs/dbraw/zinc/01/19/06/1042011906.db2.gz LOZRPRJAVGIGKX-LQWHRVPQSA-N 1 2 373.545 2.925 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2CC2CCCC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001262988095 1042011913 /nfs/dbraw/zinc/01/19/13/1042011913.db2.gz LOZRPRJAVGIGKX-LQWHRVPQSA-N 1 2 373.545 2.925 20 30 FFEDLO C=C(C)CN1c2ccccc2C2(CC[NH+](Cc3nc(C)no3)CC2)C1=O ZINC001276742877 1042054457 /nfs/dbraw/zinc/05/44/57/1042054457.db2.gz GFPDHESCUOSJAC-UHFFFAOYSA-N 1 2 352.438 2.835 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001216806717 1042129661 /nfs/dbraw/zinc/12/96/61/1042129661.db2.gz YYKFNKUTXKBJKU-SZVBFZGTSA-N 1 2 370.522 2.910 20 30 FFEDLO CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)CC#Cc3ccccc3)C[C@H]2C)o1 ZINC001216815399 1042133041 /nfs/dbraw/zinc/13/30/41/1042133041.db2.gz HFJLRRLARZXYSL-SJLPKXTDSA-N 1 2 366.465 2.571 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1c1ccccc1 ZINC001263886074 1042509238 /nfs/dbraw/zinc/50/92/38/1042509238.db2.gz XFDSLGRFPCTLFQ-RBUKOAKNSA-N 1 2 367.497 2.502 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1c1ccccc1 ZINC001263886074 1042509240 /nfs/dbraw/zinc/50/92/40/1042509240.db2.gz XFDSLGRFPCTLFQ-RBUKOAKNSA-N 1 2 367.497 2.502 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2nc3ccccc3n2C)[C@@H]1C ZINC001264134507 1042630667 /nfs/dbraw/zinc/63/06/67/1042630667.db2.gz OOQMBCAEBOBXOY-ZACQAIPSSA-N 1 2 370.497 2.634 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2nc3ccccc3n2C)[C@@H]1C ZINC001264134507 1042630669 /nfs/dbraw/zinc/63/06/69/1042630669.db2.gz OOQMBCAEBOBXOY-ZACQAIPSSA-N 1 2 370.497 2.634 20 30 FFEDLO CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C#CC3CC3)[C@H]2C)cc1 ZINC001264140574 1042634249 /nfs/dbraw/zinc/63/42/49/1042634249.db2.gz LCSMTIOZMFVNRY-UZLBHIALSA-N 1 2 367.493 2.741 20 30 FFEDLO CC(C)c1ccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C#CC3CC3)[C@H]2C)cc1 ZINC001264140574 1042634251 /nfs/dbraw/zinc/63/42/51/1042634251.db2.gz LCSMTIOZMFVNRY-UZLBHIALSA-N 1 2 367.493 2.741 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)COc2ccccc2F)[C@H]1C ZINC001264173116 1042652892 /nfs/dbraw/zinc/65/28/92/1042652892.db2.gz YAEIKZJVVDHVOG-OCCSQVGLSA-N 1 2 371.250 2.692 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)COc2ccccc2F)[C@H]1C ZINC001264173116 1042652895 /nfs/dbraw/zinc/65/28/95/1042652895.db2.gz YAEIKZJVVDHVOG-OCCSQVGLSA-N 1 2 371.250 2.692 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2cccc(C)c2C)[C@@H]1C ZINC001264697334 1042783852 /nfs/dbraw/zinc/78/38/52/1042783852.db2.gz PFEUUDGDNPFTSP-MJGOQNOKSA-N 1 2 355.482 2.624 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C)c2C)[C@@H]1C ZINC001264697334 1042783857 /nfs/dbraw/zinc/78/38/57/1042783857.db2.gz PFEUUDGDNPFTSP-MJGOQNOKSA-N 1 2 355.482 2.624 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2csc(C)n2)[C@@H]1C)OCC ZINC001264703829 1042787919 /nfs/dbraw/zinc/78/79/19/1042787919.db2.gz FGUSQIVZXHRUMI-XOKHGSTOSA-N 1 2 351.516 2.902 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@H]1CC[N@@H+](Cc2csc(C)n2)[C@@H]1C)OCC ZINC001264703829 1042787922 /nfs/dbraw/zinc/78/79/22/1042787922.db2.gz FGUSQIVZXHRUMI-XOKHGSTOSA-N 1 2 351.516 2.902 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C)s2)[C@H]1C ZINC001264732952 1042814024 /nfs/dbraw/zinc/81/40/24/1042814024.db2.gz WSVZUDDYKHIYSH-KGLIPLIRSA-N 1 2 363.527 2.540 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C)s2)[C@H]1C ZINC001264732952 1042814027 /nfs/dbraw/zinc/81/40/27/1042814027.db2.gz WSVZUDDYKHIYSH-KGLIPLIRSA-N 1 2 363.527 2.540 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)s2)[C@H]1C ZINC001264735343 1042817678 /nfs/dbraw/zinc/81/76/78/1042817678.db2.gz YXDMNRICJJYLEE-NEPJUHHUSA-N 1 2 360.401 2.609 20 30 FFEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)s2)[C@H]1C ZINC001264735343 1042817683 /nfs/dbraw/zinc/81/76/83/1042817683.db2.gz YXDMNRICJJYLEE-NEPJUHHUSA-N 1 2 360.401 2.609 20 30 FFEDLO CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1F ZINC001279227442 1042954073 /nfs/dbraw/zinc/95/40/73/1042954073.db2.gz XRHIKCTYNIMOPE-HDICACEKSA-N 1 2 353.445 2.763 20 30 FFEDLO CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1F ZINC001279227442 1042954077 /nfs/dbraw/zinc/95/40/77/1042954077.db2.gz XRHIKCTYNIMOPE-HDICACEKSA-N 1 2 353.445 2.763 20 30 FFEDLO N#Cc1cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CCCC(F)(F)F)ccc1F ZINC001279373695 1043034758 /nfs/dbraw/zinc/03/47/58/1043034758.db2.gz XPPBWZCPUISEGK-SJORKVTESA-N 1 2 371.378 2.925 20 30 FFEDLO N#Cc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CCCC(F)(F)F)ccc1F ZINC001279373695 1043034760 /nfs/dbraw/zinc/03/47/60/1043034760.db2.gz XPPBWZCPUISEGK-SJORKVTESA-N 1 2 371.378 2.925 20 30 FFEDLO N#CCc1ccccc1CN1C[C@@H]2C[N@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001279375646 1043036105 /nfs/dbraw/zinc/03/61/05/1043036105.db2.gz DJAWPWAAJZDBIP-HDICACEKSA-N 1 2 367.415 2.980 20 30 FFEDLO N#CCc1ccccc1CN1C[C@@H]2C[N@@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001279375646 1043036110 /nfs/dbraw/zinc/03/61/10/1043036110.db2.gz DJAWPWAAJZDBIP-HDICACEKSA-N 1 2 367.415 2.980 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1n[nH]c3cc(OC)ccc13)CCC2 ZINC001237385824 1043129567 /nfs/dbraw/zinc/12/95/67/1043129567.db2.gz DECOCPNOKXQNIV-UHFFFAOYSA-N 1 2 367.453 2.877 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1n[nH]c3cc(OC)ccc13)CCC2 ZINC001237385824 1043129570 /nfs/dbraw/zinc/12/95/70/1043129570.db2.gz DECOCPNOKXQNIV-UHFFFAOYSA-N 1 2 367.453 2.877 20 30 FFEDLO N#Cc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccc[nH]4)C[C@H](C2)O3)cc1Cl ZINC001279471031 1043154093 /nfs/dbraw/zinc/15/40/93/1043154093.db2.gz VBLOHOHIHZUDGN-HDICACEKSA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccc[nH]4)C[C@H](C2)O3)cc1Cl ZINC001279471031 1043154096 /nfs/dbraw/zinc/15/40/96/1043154096.db2.gz VBLOHOHIHZUDGN-HDICACEKSA-N 1 2 356.857 2.625 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2ccnc(C#N)c2)Cc2ncn(CC3CC3)c21 ZINC001237461838 1043181109 /nfs/dbraw/zinc/18/11/09/1043181109.db2.gz FCKFMBYAPNXZAC-QGZVFWFLSA-N 1 2 351.454 2.696 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)Cc2ncn(CC3CC3)c21 ZINC001237461838 1043181113 /nfs/dbraw/zinc/18/11/13/1043181113.db2.gz FCKFMBYAPNXZAC-QGZVFWFLSA-N 1 2 351.454 2.696 20 30 FFEDLO Cn1cc(C[N@@H+]2CCc3onc(Cn4cccn4)c3C2)c2cc(C#N)ccc21 ZINC001237470933 1043186552 /nfs/dbraw/zinc/18/65/52/1043186552.db2.gz YZGCQAURXAWZAF-UHFFFAOYSA-N 1 2 372.432 2.841 20 30 FFEDLO Cn1cc(C[N@H+]2CCc3onc(Cn4cccn4)c3C2)c2cc(C#N)ccc21 ZINC001237470933 1043186560 /nfs/dbraw/zinc/18/65/60/1043186560.db2.gz YZGCQAURXAWZAF-UHFFFAOYSA-N 1 2 372.432 2.841 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2cnccc2Cl)C3)cc1C#N ZINC001279656325 1043411917 /nfs/dbraw/zinc/41/19/17/1043411917.db2.gz WIAZJMSMLCHWNE-QAPCUYQASA-N 1 2 355.873 2.651 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cnccc2Cl)C3)cc1C#N ZINC001279656325 1043411930 /nfs/dbraw/zinc/41/19/30/1043411930.db2.gz WIAZJMSMLCHWNE-QAPCUYQASA-N 1 2 355.873 2.651 20 30 FFEDLO N#CCC1CN(C(=O)[C@@H]2CC23C[NH+](Cc2cccc(C(F)(F)F)c2)C3)C1 ZINC001279729204 1043542791 /nfs/dbraw/zinc/54/27/91/1043542791.db2.gz NDHMLYKEIOPNAU-INIZCTEOSA-N 1 2 363.383 2.899 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCc3cc(C(=O)N4CC(CC#N)C4)[nH]c3C2)s1 ZINC001279779438 1043628311 /nfs/dbraw/zinc/62/83/11/1043628311.db2.gz HKQFSDHZKNSPBZ-UHFFFAOYSA-N 1 2 354.479 2.929 20 30 FFEDLO Cc1ccc(C[N@H+]2CCc3cc(C(=O)N4CC(CC#N)C4)[nH]c3C2)s1 ZINC001279779438 1043628314 /nfs/dbraw/zinc/62/83/14/1043628314.db2.gz HKQFSDHZKNSPBZ-UHFFFAOYSA-N 1 2 354.479 2.929 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)Cc2cnn(CC)c21 ZINC001238405846 1043688668 /nfs/dbraw/zinc/68/86/68/1043688668.db2.gz JVAWIXLRLRDTAV-SFHVURJKSA-N 1 2 354.454 2.919 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)Cc2cnn(CC)c21 ZINC001238405846 1043688671 /nfs/dbraw/zinc/68/86/71/1043688671.db2.gz JVAWIXLRLRDTAV-SFHVURJKSA-N 1 2 354.454 2.919 20 30 FFEDLO N#CC1(NC(=O)[C@H]2[C@H]3CC[C@@H]2C[N@H+](Cc2csc(Cl)n2)C3)CCC1 ZINC001279857087 1043782324 /nfs/dbraw/zinc/78/23/24/1043782324.db2.gz UXTSQQIAHFJAFU-DABQJJPHSA-N 1 2 364.902 2.817 20 30 FFEDLO N#CC1(NC(=O)[C@H]2[C@H]3CC[C@@H]2C[N@@H+](Cc2csc(Cl)n2)C3)CCC1 ZINC001279857087 1043782334 /nfs/dbraw/zinc/78/23/34/1043782334.db2.gz UXTSQQIAHFJAFU-DABQJJPHSA-N 1 2 364.902 2.817 20 30 FFEDLO CN(C)c1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)NC2(C#N)CCC2)c(Cl)c1 ZINC001280042001 1044125494 /nfs/dbraw/zinc/12/54/94/1044125494.db2.gz CTJDJQFBVGRRKQ-MGPUTAFESA-N 1 2 372.900 2.933 20 30 FFEDLO CN(C)c1ccc(C[N@H+]2CC[C@H]3C[C@]32C(=O)NC2(C#N)CCC2)c(Cl)c1 ZINC001280042001 1044125496 /nfs/dbraw/zinc/12/54/96/1044125496.db2.gz CTJDJQFBVGRRKQ-MGPUTAFESA-N 1 2 372.900 2.933 20 30 FFEDLO Cc1noc(NC(=O)[C@@]23C[C@@H]2CC[N@@H+]3CCc2ccc(C#N)cc2)c1C ZINC001280078300 1044177500 /nfs/dbraw/zinc/17/75/00/1044177500.db2.gz IBRGMUISDXNOFJ-FXAWDEMLSA-N 1 2 350.422 2.809 20 30 FFEDLO Cc1noc(NC(=O)[C@@]23C[C@@H]2CC[N@H+]3CCc2ccc(C#N)cc2)c1C ZINC001280078300 1044177504 /nfs/dbraw/zinc/17/75/04/1044177504.db2.gz IBRGMUISDXNOFJ-FXAWDEMLSA-N 1 2 350.422 2.809 20 30 FFEDLO Cc1ncsc1C[N@@H+]1CCO[C@@]2(CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001280093378 1044197036 /nfs/dbraw/zinc/19/70/36/1044197036.db2.gz ZRKAMSRRBHUXMG-IBGZPJMESA-N 1 2 369.494 2.590 20 30 FFEDLO Cc1ncsc1C[N@H+]1CCO[C@@]2(CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001280093378 1044197038 /nfs/dbraw/zinc/19/70/38/1044197038.db2.gz ZRKAMSRRBHUXMG-IBGZPJMESA-N 1 2 369.494 2.590 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NCC3(C#N)CCCC3)C2)c1 ZINC001312955138 1044199852 /nfs/dbraw/zinc/19/98/52/1044199852.db2.gz ZBZVWOVPNPUCJW-LJQANCHMSA-N 1 2 370.497 2.579 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NCC3(C#N)CCCC3)C2)c1 ZINC001312955138 1044199857 /nfs/dbraw/zinc/19/98/57/1044199857.db2.gz ZBZVWOVPNPUCJW-LJQANCHMSA-N 1 2 370.497 2.579 20 30 FFEDLO CC1=C[C@H](C)[C@@H](C[N@@H+]2Cc3[nH]nc(C(=O)N4CC(CC#N)C4)c3C2)CC1 ZINC001280232567 1044434702 /nfs/dbraw/zinc/43/47/02/1044434702.db2.gz WOQFVLDRDOYNBP-GOEBONIOSA-N 1 2 353.470 2.703 20 30 FFEDLO CC1=C[C@H](C)[C@@H](C[N@H+]2Cc3[nH]nc(C(=O)N4CC(CC#N)C4)c3C2)CC1 ZINC001280232567 1044434714 /nfs/dbraw/zinc/43/47/14/1044434714.db2.gz WOQFVLDRDOYNBP-GOEBONIOSA-N 1 2 353.470 2.703 20 30 FFEDLO C[C@@H]1c2nc(C(=O)N3CC(CC#N)C3)cn2CC[N@H+]1C[C@H]1CC=CCC1 ZINC001280237439 1044446781 /nfs/dbraw/zinc/44/67/81/1044446781.db2.gz RKPKYUPOQQZTHS-CVEARBPZSA-N 1 2 353.470 2.602 20 30 FFEDLO C[C@@H]1c2nc(C(=O)N3CC(CC#N)C3)cn2CC[N@@H+]1C[C@H]1CC=CCC1 ZINC001280237439 1044446789 /nfs/dbraw/zinc/44/67/89/1044446789.db2.gz RKPKYUPOQQZTHS-CVEARBPZSA-N 1 2 353.470 2.602 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CCOCC(C)C)[C@H]1CC ZINC001316728646 1044738397 /nfs/dbraw/zinc/73/83/97/1044738397.db2.gz HSQWYSQIMWXSGX-LSDHHAIUSA-N 1 2 361.324 2.927 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CCOCC(C)C)[C@H]1CC ZINC001316728646 1044738408 /nfs/dbraw/zinc/73/84/08/1044738408.db2.gz HSQWYSQIMWXSGX-LSDHHAIUSA-N 1 2 361.324 2.927 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C(=O)C(C)(C)C)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001316729906 1044793605 /nfs/dbraw/zinc/79/36/05/1044793605.db2.gz KGUVWXIZFOJHQC-DLBZAZTESA-N 1 2 359.445 2.782 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C(=O)C(C)(C)C)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001316729906 1044793613 /nfs/dbraw/zinc/79/36/13/1044793613.db2.gz KGUVWXIZFOJHQC-DLBZAZTESA-N 1 2 359.445 2.782 20 30 FFEDLO COCC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001281073437 1044830013 /nfs/dbraw/zinc/83/00/13/1044830013.db2.gz YHDTVLIJYSEIJR-YPAWHYETSA-N 1 2 368.521 2.862 20 30 FFEDLO COCC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001281073437 1044830035 /nfs/dbraw/zinc/83/00/35/1044830035.db2.gz YHDTVLIJYSEIJR-YPAWHYETSA-N 1 2 368.521 2.862 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[N@@H+](Cc3nn(C)cc3Cl)CC[C@@H]2C1 ZINC001316756167 1044911891 /nfs/dbraw/zinc/91/18/91/1044911891.db2.gz SSXALAWZZNFQBL-XHSDSOJGSA-N 1 2 364.921 2.956 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[N@H+](Cc3nn(C)cc3Cl)CC[C@@H]2C1 ZINC001316756167 1044911908 /nfs/dbraw/zinc/91/19/08/1044911908.db2.gz SSXALAWZZNFQBL-XHSDSOJGSA-N 1 2 364.921 2.956 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)/C=C(/C)C3CC3)[C@H]2C)c1 ZINC001316776494 1044930878 /nfs/dbraw/zinc/93/08/78/1044930878.db2.gz BXNMSBMINRJOAV-XXMWQYERSA-N 1 2 365.477 2.542 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)/C=C(/C)C3CC3)[C@H]2C)c1 ZINC001316776494 1044930889 /nfs/dbraw/zinc/93/08/89/1044930889.db2.gz BXNMSBMINRJOAV-XXMWQYERSA-N 1 2 365.477 2.542 20 30 FFEDLO C=C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccn(CC)n2)[C@@H]1C)c1ccccc1 ZINC001316799175 1045018585 /nfs/dbraw/zinc/01/85/85/1045018585.db2.gz MNRQZDCNFCTEPJ-AHRSYUTCSA-N 1 2 352.482 2.952 20 30 FFEDLO C=C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccn(CC)n2)[C@@H]1C)c1ccccc1 ZINC001316799175 1045018598 /nfs/dbraw/zinc/01/85/98/1045018598.db2.gz MNRQZDCNFCTEPJ-AHRSYUTCSA-N 1 2 352.482 2.952 20 30 FFEDLO C[NH+]1CCN(c2ccc(/C=C\C(=O)c3cc(O)ccc3O)cc2F)CC1 ZINC001319587962 1045206628 /nfs/dbraw/zinc/20/66/28/1045206628.db2.gz NBKJJVPVKCNAHH-UTCJRWHESA-N 1 2 356.397 2.885 20 30 FFEDLO C=CCn1cnn(C[NH2+]C2(C(=O)N(CC)CC)CCCCC2)c1=S ZINC001319597282 1045209311 /nfs/dbraw/zinc/20/93/11/1045209311.db2.gz AOMYVNYVVXKTEA-UHFFFAOYSA-N 1 2 351.520 2.718 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CC2(COC)CCCCC2)CC1 ZINC001539431569 1070636819 /nfs/dbraw/zinc/63/68/19/1070636819.db2.gz SQBUXZJHZHTFHM-UHFFFAOYSA-N 1 2 373.545 2.754 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC001539430867 1070637193 /nfs/dbraw/zinc/63/71/93/1070637193.db2.gz MZUUMASWQUUYJL-CEXWTWQISA-N 1 2 373.545 2.608 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 ZINC001320024928 1045330387 /nfs/dbraw/zinc/33/03/87/1045330387.db2.gz GWKUUXZOLMBBPO-WFASDCNBSA-N 1 2 368.355 2.614 20 30 FFEDLO C=CCO[C@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 ZINC001320024928 1045330389 /nfs/dbraw/zinc/33/03/89/1045330389.db2.gz GWKUUXZOLMBBPO-WFASDCNBSA-N 1 2 368.355 2.614 20 30 FFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(CC#N)c2)[C@@H]1c1ccc(F)cc1 ZINC001321080050 1045536846 /nfs/dbraw/zinc/53/68/46/1045536846.db2.gz VLKOWJHPJILUIK-OALUTQOASA-N 1 2 373.453 2.615 20 30 FFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2cccc(CC#N)c2)[C@@H]1c1ccc(F)cc1 ZINC001321080050 1045536857 /nfs/dbraw/zinc/53/68/57/1045536857.db2.gz VLKOWJHPJILUIK-OALUTQOASA-N 1 2 373.453 2.615 20 30 FFEDLO C=CCN1CC[C@@H](OC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(C)c2)C1=O ZINC001321186284 1045580900 /nfs/dbraw/zinc/58/09/00/1045580900.db2.gz ZPRNEUXIOUGOSC-RBUKOAKNSA-N 1 2 356.466 2.680 20 30 FFEDLO C=CCN1CC[C@@H](OC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2)C1=O ZINC001321186284 1045580907 /nfs/dbraw/zinc/58/09/07/1045580907.db2.gz ZPRNEUXIOUGOSC-RBUKOAKNSA-N 1 2 356.466 2.680 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1CC)C1CC[NH+]([C@@H](C)c2nnc(CC)o2)CC1 ZINC001324420010 1046018191 /nfs/dbraw/zinc/01/81/91/1046018191.db2.gz ISJTUTGEFMBMAU-ZMSDIMECSA-N 1 2 358.486 2.665 20 30 FFEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC001324515484 1046076670 /nfs/dbraw/zinc/07/66/70/1046076670.db2.gz DUFWYCVSOCYYJI-UHFFFAOYSA-N 1 2 359.651 2.623 20 30 FFEDLO C#CCOCC[N@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC001324515484 1046076687 /nfs/dbraw/zinc/07/66/87/1046076687.db2.gz DUFWYCVSOCYYJI-UHFFFAOYSA-N 1 2 359.651 2.623 20 30 FFEDLO C#CCCOc1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001325181205 1046407225 /nfs/dbraw/zinc/40/72/25/1046407225.db2.gz SEGQHKPJBQGOEA-QGZVFWFLSA-N 1 2 351.450 2.917 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCC1 ZINC001284368611 1046526952 /nfs/dbraw/zinc/52/69/52/1046526952.db2.gz PIPDIIVVRZPFPJ-BRWVUGGUSA-N 1 2 370.497 2.614 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCC1 ZINC001284368611 1046526959 /nfs/dbraw/zinc/52/69/59/1046526959.db2.gz PIPDIIVVRZPFPJ-BRWVUGGUSA-N 1 2 370.497 2.614 20 30 FFEDLO C=CCN(Cc1ccccc1F)C(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC001325623526 1046582705 /nfs/dbraw/zinc/58/27/05/1046582705.db2.gz YTUVKTRWIOWCFD-UHFFFAOYSA-N 1 2 355.413 2.669 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(C)cc2)CC1 ZINC001286470036 1047119360 /nfs/dbraw/zinc/11/93/60/1047119360.db2.gz QWYQIECDQJBSEM-UHFFFAOYSA-N 1 2 365.525 2.882 20 30 FFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001327114031 1047193121 /nfs/dbraw/zinc/19/31/21/1047193121.db2.gz MRUGOCSQIZEFGC-LPHOPBHVSA-N 1 2 350.466 2.952 20 30 FFEDLO N#Cc1cccc2c1CCCN2C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001327156400 1047212233 /nfs/dbraw/zinc/21/22/33/1047212233.db2.gz ZXBHQHLNEMMGHW-NRFANRHFSA-N 1 2 361.445 2.738 20 30 FFEDLO N#Cc1cccc2c1CCCN2C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001327156400 1047212241 /nfs/dbraw/zinc/21/22/41/1047212241.db2.gz ZXBHQHLNEMMGHW-NRFANRHFSA-N 1 2 361.445 2.738 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@@H]1Cc1ccccc1 ZINC001327339706 1047855885 /nfs/dbraw/zinc/85/58/85/1047855885.db2.gz AGFRLGCTSBBYOK-NRFANRHFSA-N 1 2 363.461 2.808 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@@H]1Cc1ccccc1 ZINC001327339706 1047855901 /nfs/dbraw/zinc/85/59/01/1047855901.db2.gz AGFRLGCTSBBYOK-NRFANRHFSA-N 1 2 363.461 2.808 20 30 FFEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC001332094218 1048244062 /nfs/dbraw/zinc/24/40/62/1048244062.db2.gz QJLHRDWVQPFNSK-NRFANRHFSA-N 1 2 358.445 2.760 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCC[C@@H](C)C2)CC1 ZINC001329695306 1048861111 /nfs/dbraw/zinc/86/11/11/1048861111.db2.gz ZBHNUOTXYQLEIX-CEXWTWQISA-N 1 2 371.529 2.711 20 30 FFEDLO C=CCSCCn1c(C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001540909457 1071031041 /nfs/dbraw/zinc/03/10/41/1071031041.db2.gz HWBXDCHDSYWTJJ-UHFFFAOYSA-N 1 2 358.515 2.529 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC001333420163 1048895641 /nfs/dbraw/zinc/89/56/41/1048895641.db2.gz GWJMMYXLQDPWPO-PZJWPPBQSA-N 1 2 350.418 2.756 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC001333420163 1048895660 /nfs/dbraw/zinc/89/56/60/1048895660.db2.gz GWJMMYXLQDPWPO-PZJWPPBQSA-N 1 2 350.418 2.756 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2csc(Cc3cccc(F)c3)n2)CC1 ZINC001293715985 1049615101 /nfs/dbraw/zinc/61/51/01/1049615101.db2.gz QNVJOTQVNAEQBP-UHFFFAOYSA-N 1 2 357.454 2.654 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2csc(Cc3cccc(F)c3)n2)CC1 ZINC001293715985 1049615110 /nfs/dbraw/zinc/61/51/10/1049615110.db2.gz QNVJOTQVNAEQBP-UHFFFAOYSA-N 1 2 357.454 2.654 20 30 FFEDLO COCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)c1ccccc1 ZINC001341569739 1050196772 /nfs/dbraw/zinc/19/67/72/1050196772.db2.gz BXWYQTFTGIEQDW-UHFFFAOYSA-N 1 2 368.485 2.785 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(CC#N)CC1 ZINC001339776711 1050197531 /nfs/dbraw/zinc/19/75/31/1050197531.db2.gz GFDQZDFZUSKMIN-UHFFFAOYSA-N 1 2 367.501 2.687 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001341756027 1050372737 /nfs/dbraw/zinc/37/27/37/1050372737.db2.gz NDDVJMSXZZXZGL-UHFFFAOYSA-N 1 2 361.453 2.687 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001341837927 1050450120 /nfs/dbraw/zinc/45/01/20/1050450120.db2.gz HLJHIKXFORINAM-SOADLSRISA-N 1 2 373.545 2.781 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001341837927 1050450127 /nfs/dbraw/zinc/45/01/27/1050450127.db2.gz HLJHIKXFORINAM-SOADLSRISA-N 1 2 373.545 2.781 20 30 FFEDLO C=C(C)Cn1c(-c2cscn2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001341885794 1050490271 /nfs/dbraw/zinc/49/02/71/1050490271.db2.gz NXCZAGPBOBGYFY-UHFFFAOYSA-N 1 2 367.482 2.699 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001340259344 1050665640 /nfs/dbraw/zinc/66/56/40/1050665640.db2.gz VFHTZJSWGQBSLU-XHSDSOJGSA-N 1 2 359.499 2.605 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001340259344 1050665646 /nfs/dbraw/zinc/66/56/46/1050665646.db2.gz VFHTZJSWGQBSLU-XHSDSOJGSA-N 1 2 359.499 2.605 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001340490727 1050886579 /nfs/dbraw/zinc/88/65/79/1050886579.db2.gz AADAPPQTFPDNOV-JKSUJKDBSA-N 1 2 374.558 2.887 20 30 FFEDLO C=CCn1c(N2CC3(CC3)c3ccccc32)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340700093 1051065712 /nfs/dbraw/zinc/06/57/12/1051065712.db2.gz BAQZOFGDTBNVLL-QRWLVFNGSA-N 1 2 365.481 2.559 20 30 FFEDLO C=CCn1c(N2CC3(CC3)c3ccccc32)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340700093 1051065722 /nfs/dbraw/zinc/06/57/22/1051065722.db2.gz BAQZOFGDTBNVLL-QRWLVFNGSA-N 1 2 365.481 2.559 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCCC2(CCOCC2)C1 ZINC001342533128 1051136794 /nfs/dbraw/zinc/13/67/94/1051136794.db2.gz KWGDBVVAIAYRTF-UHFFFAOYSA-N 1 2 359.518 2.847 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc(C[NH+]2CCC(CO)CC2)n1CC ZINC001342872507 1051481110 /nfs/dbraw/zinc/48/11/10/1051481110.db2.gz ZVRQMDGCCUUMDF-UHFFFAOYSA-N 1 2 369.513 2.695 20 30 FFEDLO C=C(C)Cn1c([C@H]2CC=NO2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001342886527 1051495928 /nfs/dbraw/zinc/49/59/28/1051495928.db2.gz JEFJYEOZZONKGJ-MRXNPFEDSA-N 1 2 367.457 2.777 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc([C@@H]3C[N@H+](C(C)C)CCO3)n2CC(=C)C)C1 ZINC001343007798 1051623228 /nfs/dbraw/zinc/62/32/28/1051623228.db2.gz UUVVVDFQSXMSKY-OALUTQOASA-N 1 2 371.529 2.876 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc([C@@H]3C[N@@H+](C(C)C)CCO3)n2CC(=C)C)C1 ZINC001343007798 1051623230 /nfs/dbraw/zinc/62/32/30/1051623230.db2.gz UUVVVDFQSXMSKY-OALUTQOASA-N 1 2 371.529 2.876 20 30 FFEDLO N#Cc1c(N)c([N+](=O)[O-])ccc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001306928697 1052223951 /nfs/dbraw/zinc/22/39/51/1052223951.db2.gz ULXMMIYPHLVMRM-SFHVURJKSA-N 1 2 367.409 2.534 20 30 FFEDLO C=CC1(CC(=O)N2CCC(c3nnc4n3CC[NH2+]C4)CC2)CCCCC1 ZINC001343485603 1052259309 /nfs/dbraw/zinc/25/93/09/1052259309.db2.gz GEAUEESKXWDUEN-UHFFFAOYSA-N 1 2 357.502 2.614 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(CCO)CCc1ccccc1 ZINC001343546582 1052298101 /nfs/dbraw/zinc/29/81/01/1052298101.db2.gz RQKQHRQCNQHKBA-LJQANCHMSA-N 1 2 369.513 2.662 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(CCO)CCc1ccccc1 ZINC001343546582 1052298102 /nfs/dbraw/zinc/29/81/02/1052298102.db2.gz RQKQHRQCNQHKBA-LJQANCHMSA-N 1 2 369.513 2.662 20 30 FFEDLO C#CC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)CC1 ZINC001307868257 1052358857 /nfs/dbraw/zinc/35/88/57/1052358857.db2.gz AMCUBEDUNWOXKQ-ZDUSSCGKSA-N 1 2 374.506 2.943 20 30 FFEDLO C=C(C)Cn1c([C@@H](O)CC(C)C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001343747788 1052400726 /nfs/dbraw/zinc/40/07/26/1052400726.db2.gz FUYJRGLTARLEID-KRWDZBQOSA-N 1 2 370.501 2.655 20 30 FFEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1C(N)=O)[C@H]1CCCc2ccccc21 ZINC001308103678 1052407392 /nfs/dbraw/zinc/40/73/92/1052407392.db2.gz KAJLYLLUTSHQDH-FQEVSTJZSA-N 1 2 361.445 2.737 20 30 FFEDLO C#CC[N@H+](CC(=O)Nc1ccccc1C(N)=O)[C@H]1CCCc2ccccc21 ZINC001308103678 1052407396 /nfs/dbraw/zinc/40/73/96/1052407396.db2.gz KAJLYLLUTSHQDH-FQEVSTJZSA-N 1 2 361.445 2.737 20 30 FFEDLO COC(=O)c1cccc2c1OCC[N@H+](CCOc1ccccc1C#N)C2 ZINC001308124575 1052412720 /nfs/dbraw/zinc/41/27/20/1052412720.db2.gz CIZUOWYUZYPDDG-UHFFFAOYSA-N 1 2 352.390 2.618 20 30 FFEDLO COC(=O)c1cccc2c1OCC[N@@H+](CCOc1ccccc1C#N)C2 ZINC001308124575 1052412723 /nfs/dbraw/zinc/41/27/23/1052412723.db2.gz CIZUOWYUZYPDDG-UHFFFAOYSA-N 1 2 352.390 2.618 20 30 FFEDLO CCOCCCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](CC#N)C1 ZINC001343861293 1052456738 /nfs/dbraw/zinc/45/67/38/1052456738.db2.gz FNYIYTANJBGHPA-QZTJIDSGSA-N 1 2 374.533 2.992 20 30 FFEDLO CCOCCCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](CC#N)C1 ZINC001343861293 1052456741 /nfs/dbraw/zinc/45/67/41/1052456741.db2.gz FNYIYTANJBGHPA-QZTJIDSGSA-N 1 2 374.533 2.992 20 30 FFEDLO N#Cc1sc2ccccc2c1S(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC001309282808 1052591321 /nfs/dbraw/zinc/59/13/21/1052591321.db2.gz KUMDSQBZZOIFST-UHFFFAOYSA-N 1 2 368.443 2.899 20 30 FFEDLO C#CCN(C)c1nnc([C@@H](C)[N@H+](C)Cc2ccccc2)n1C[C@H]1CCOC1 ZINC001344213284 1052638688 /nfs/dbraw/zinc/63/86/88/1052638688.db2.gz MWFNQCXXYUBBKW-IEBWSBKVSA-N 1 2 367.497 2.577 20 30 FFEDLO C#CCN(C)c1nnc([C@@H](C)[N@@H+](C)Cc2ccccc2)n1C[C@H]1CCOC1 ZINC001344213284 1052638691 /nfs/dbraw/zinc/63/86/91/1052638691.db2.gz MWFNQCXXYUBBKW-IEBWSBKVSA-N 1 2 367.497 2.577 20 30 FFEDLO C#CC1CCN(c2nnc(C[NH+]3CCCC3)n2Cc2cccs2)CC1 ZINC001344634625 1052870840 /nfs/dbraw/zinc/87/08/40/1052870840.db2.gz ZHGFAWNARGDJLO-UHFFFAOYSA-N 1 2 355.511 2.833 20 30 FFEDLO CCO[C@H](C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1)C(C)C ZINC001346719799 1053256265 /nfs/dbraw/zinc/25/62/65/1053256265.db2.gz GUOSBADFFSVAEC-SFHVURJKSA-N 1 2 365.495 2.536 20 30 FFEDLO C=CCO[C@@H]1CCN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC001347192189 1053707486 /nfs/dbraw/zinc/70/74/86/1053707486.db2.gz QBROFRZWSWKHDC-QZTJIDSGSA-N 1 2 354.454 2.690 20 30 FFEDLO CC(C)c1nnsc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001336876734 1054308610 /nfs/dbraw/zinc/30/86/10/1054308610.db2.gz LTZAHDKKQYUYGX-UHFFFAOYSA-N 1 2 369.494 2.881 20 30 FFEDLO CC(C)c1nnsc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001336876734 1054308621 /nfs/dbraw/zinc/30/86/21/1054308621.db2.gz LTZAHDKKQYUYGX-UHFFFAOYSA-N 1 2 369.494 2.881 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCCn2cc[nH+]c2)CCC1 ZINC001347811331 1054342519 /nfs/dbraw/zinc/34/25/19/1054342519.db2.gz REKUKSYWOCIEFA-KURKYZTESA-N 1 2 370.497 2.658 20 30 FFEDLO CC(C)CC(=O)N1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC001337396043 1054719215 /nfs/dbraw/zinc/71/92/15/1054719215.db2.gz NVMJBWXDDVYZQJ-UHFFFAOYSA-N 1 2 365.481 2.649 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)CCCSC ZINC001351534601 1054887987 /nfs/dbraw/zinc/88/79/87/1054887987.db2.gz JKIWMMVGPJTJAR-CVEARBPZSA-N 1 2 365.547 2.579 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)CCCSC ZINC001351534601 1054887995 /nfs/dbraw/zinc/88/79/95/1054887995.db2.gz JKIWMMVGPJTJAR-CVEARBPZSA-N 1 2 365.547 2.579 20 30 FFEDLO N#CC1(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CCOCC1 ZINC001337608789 1054888801 /nfs/dbraw/zinc/88/88/01/1054888801.db2.gz KPUIHVWNGCBYNB-QGZVFWFLSA-N 1 2 361.873 2.741 20 30 FFEDLO N#CC1(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CCOCC1 ZINC001337608789 1054888814 /nfs/dbraw/zinc/88/88/14/1054888814.db2.gz KPUIHVWNGCBYNB-QGZVFWFLSA-N 1 2 361.873 2.741 20 30 FFEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCOC1 ZINC001349021187 1055055103 /nfs/dbraw/zinc/05/51/03/1055055103.db2.gz KYLPSBNRCSEICR-ROUUACIJSA-N 1 2 372.517 2.601 20 30 FFEDLO C[N@H+]1CCCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCOC1 ZINC001349021187 1055055117 /nfs/dbraw/zinc/05/51/17/1055055117.db2.gz KYLPSBNRCSEICR-ROUUACIJSA-N 1 2 372.517 2.601 20 30 FFEDLO C#Cc1ccc(NC(=O)[C@@H]2CCC(=O)N(CCC)[C@H]2c2c[nH+]cn2C)cc1 ZINC001351916150 1055062224 /nfs/dbraw/zinc/06/22/24/1055062224.db2.gz QGTBPEQBCZUOMH-YLJYHZDGSA-N 1 2 364.449 2.730 20 30 FFEDLO C=C(C)Cn1c([C@H](O)/C=C\CC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001356240240 1055413993 /nfs/dbraw/zinc/41/39/93/1055413993.db2.gz XBXXAMQWRIYYCV-CTEOGUNLSA-N 1 2 368.485 2.575 20 30 FFEDLO C=C1CCN(c2nnc([C@H]3CCCC[N@H+]3C)n2Cc2cc(C)on2)CC1 ZINC001349757537 1055450895 /nfs/dbraw/zinc/45/08/95/1055450895.db2.gz GUXAMXJEMNEKPW-QGZVFWFLSA-N 1 2 356.474 2.936 20 30 FFEDLO C=C1CCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2Cc2cc(C)on2)CC1 ZINC001349757537 1055450899 /nfs/dbraw/zinc/45/08/99/1055450899.db2.gz GUXAMXJEMNEKPW-QGZVFWFLSA-N 1 2 356.474 2.936 20 30 FFEDLO CCn1c(-c2ccc(CC#N)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001352440937 1055478227 /nfs/dbraw/zinc/47/82/27/1055478227.db2.gz UQYPCYUYDLNFKP-UHFFFAOYSA-N 1 2 373.464 2.753 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC001338771995 1055800492 /nfs/dbraw/zinc/80/04/92/1055800492.db2.gz IOEDWAPREULXPB-XSLAGTTESA-N 1 2 373.545 2.854 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC001338771995 1055800506 /nfs/dbraw/zinc/80/05/06/1055800506.db2.gz IOEDWAPREULXPB-XSLAGTTESA-N 1 2 373.545 2.854 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCCC(F)(F)CC1 ZINC001338850548 1055870547 /nfs/dbraw/zinc/87/05/47/1055870547.db2.gz DDWFQHDSAHMASS-OAHLLOKOSA-N 1 2 369.460 2.871 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCCC(F)(F)CC1 ZINC001338850548 1055870553 /nfs/dbraw/zinc/87/05/53/1055870553.db2.gz DDWFQHDSAHMASS-OAHLLOKOSA-N 1 2 369.460 2.871 20 30 FFEDLO C=CCn1c(Nc2cccc(OC)c2)nnc1[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001338851980 1055871709 /nfs/dbraw/zinc/87/17/09/1055871709.db2.gz RVJJPKSMGLTTNO-QGZVFWFLSA-N 1 2 357.458 2.998 20 30 FFEDLO C=CCn1c(Nc2cccc(OC)c2)nnc1[C@H]1C[N@H+](C(C)C)CCO1 ZINC001338851980 1055871723 /nfs/dbraw/zinc/87/17/23/1055871723.db2.gz RVJJPKSMGLTTNO-QGZVFWFLSA-N 1 2 357.458 2.998 20 30 FFEDLO CC[C@H](C#N)Oc1cc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)ccc1OC ZINC000847496545 1055931888 /nfs/dbraw/zinc/93/18/88/1055931888.db2.gz QEECTVPLNBHSJK-CZUORRHYSA-N 1 2 356.426 2.594 20 30 FFEDLO CC[C@H](C#N)Oc1cc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)ccc1OC ZINC000847496545 1055931904 /nfs/dbraw/zinc/93/19/04/1055931904.db2.gz QEECTVPLNBHSJK-CZUORRHYSA-N 1 2 356.426 2.594 20 30 FFEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCO[C@@H](C)C1 ZINC001338995780 1056000160 /nfs/dbraw/zinc/00/01/60/1056000160.db2.gz SRIAAMAQCLNKRS-IRXDYDNUSA-N 1 2 355.486 2.882 20 30 FFEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCO[C@@H](C)C1 ZINC001338995780 1056000170 /nfs/dbraw/zinc/00/01/70/1056000170.db2.gz SRIAAMAQCLNKRS-IRXDYDNUSA-N 1 2 355.486 2.882 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(C#N)CC1 ZINC001357817884 1056024049 /nfs/dbraw/zinc/02/40/49/1056024049.db2.gz BPLKKBYNSFAYEL-MSOLQXFVSA-N 1 2 372.517 2.600 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(C#N)CC1 ZINC001357817884 1056024058 /nfs/dbraw/zinc/02/40/58/1056024058.db2.gz BPLKKBYNSFAYEL-MSOLQXFVSA-N 1 2 372.517 2.600 20 30 FFEDLO C=C(C)CCC(=O)N1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001339104259 1056095161 /nfs/dbraw/zinc/09/51/61/1056095161.db2.gz LTZWKBVFCFPBAQ-USXIJHARSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)CCC(=O)N1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001339104259 1056095172 /nfs/dbraw/zinc/09/51/72/1056095172.db2.gz LTZWKBVFCFPBAQ-USXIJHARSA-N 1 2 358.486 2.613 20 30 FFEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCCO[C@@H](C)C1 ZINC001358097727 1056138977 /nfs/dbraw/zinc/13/89/77/1056138977.db2.gz UXBRXXKZJZSHCX-KRWDZBQOSA-N 1 2 374.533 2.642 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(C)C)CC1 ZINC001359032261 1056665803 /nfs/dbraw/zinc/66/58/03/1056665803.db2.gz HUSPZRLHUBFJCH-UHFFFAOYSA-N 1 2 351.498 2.919 20 30 FFEDLO N#Cc1ccc(CCOC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000849725696 1056977862 /nfs/dbraw/zinc/97/78/62/1056977862.db2.gz FQKVWESVWYNULQ-NRFANRHFSA-N 1 2 364.445 2.842 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2C[C@@H]2CCCO2)C1 ZINC001518115128 1058269519 /nfs/dbraw/zinc/26/95/19/1058269519.db2.gz FAOPEOKNANJTAB-QYZOEREBSA-N 1 2 371.529 2.854 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2C[C@@H]2CCCO2)C1 ZINC001518115128 1058269533 /nfs/dbraw/zinc/26/95/33/1058269533.db2.gz FAOPEOKNANJTAB-QYZOEREBSA-N 1 2 371.529 2.854 20 30 FFEDLO C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[N@@H+](C)C[C@@H]3CC)n[nH]2)c1C ZINC001448725885 1058812237 /nfs/dbraw/zinc/81/22/37/1058812237.db2.gz YJMJZURFOQITLN-INIZCTEOSA-N 1 2 370.501 2.632 20 30 FFEDLO C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[N@H+](C)C[C@@H]3CC)n[nH]2)c1C ZINC001448725885 1058812261 /nfs/dbraw/zinc/81/22/61/1058812261.db2.gz YJMJZURFOQITLN-INIZCTEOSA-N 1 2 370.501 2.632 20 30 FFEDLO CN(CCc1ccccc1F)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001519709263 1058979997 /nfs/dbraw/zinc/97/99/97/1058979997.db2.gz IWULSQAGMZCGQK-UHFFFAOYSA-N 1 2 370.476 2.726 20 30 FFEDLO C=CC1(CC(=O)N[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001354506870 1059086595 /nfs/dbraw/zinc/08/65/95/1059086595.db2.gz ADJOZCHYOGGGBA-BZUAXINKSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CC1(CC(=O)N[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001354506870 1059086614 /nfs/dbraw/zinc/08/66/14/1059086614.db2.gz ADJOZCHYOGGGBA-BZUAXINKSA-N 1 2 358.486 2.661 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001300682887 1059318036 /nfs/dbraw/zinc/31/80/36/1059318036.db2.gz KLEAXQONYLKZBG-HUUCEWRRSA-N 1 2 355.408 2.635 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001300701524 1059411186 /nfs/dbraw/zinc/41/11/86/1059411186.db2.gz WBNCCGDHLGFRAD-MRXNPFEDSA-N 1 2 365.472 2.667 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2Cc2ccc(C)cc2C)CC1 ZINC001300706471 1059436286 /nfs/dbraw/zinc/43/62/86/1059436286.db2.gz NMVOBEWYFCIGIV-UHFFFAOYSA-N 1 2 363.509 2.651 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001515331949 1059564009 /nfs/dbraw/zinc/56/40/09/1059564009.db2.gz OVOGMCKJKVGLJY-KURKYZTESA-N 1 2 360.502 2.619 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC(C)(C)C[C@H]1C ZINC001515556879 1059701258 /nfs/dbraw/zinc/70/12/58/1059701258.db2.gz WZFRDVRMVPPIBO-MRXNPFEDSA-N 1 2 361.534 2.683 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCCC)CC1 ZINC001507731931 1059701541 /nfs/dbraw/zinc/70/15/41/1059701541.db2.gz FNVYHNRGTPZIPO-UHFFFAOYSA-N 1 2 367.497 2.721 20 30 FFEDLO C=CCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001507956781 1059767529 /nfs/dbraw/zinc/76/75/29/1059767529.db2.gz GLFJPFQRXUAJFE-QGZVFWFLSA-N 1 2 368.485 2.817 20 30 FFEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848475830 1060095015 /nfs/dbraw/zinc/09/50/15/1060095015.db2.gz SMJFWBILZSWQLO-IBGZPJMESA-N 1 2 364.405 2.872 20 30 FFEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848475830 1060095034 /nfs/dbraw/zinc/09/50/34/1060095034.db2.gz SMJFWBILZSWQLO-IBGZPJMESA-N 1 2 364.405 2.872 20 30 FFEDLO CN(C)c1[nH+]ccc2cc(NC(=O)NCC3(C#N)CCOCC3)ccc21 ZINC001517674659 1060589479 /nfs/dbraw/zinc/58/94/79/1060589479.db2.gz MXWXVMVYXRFMJQ-UHFFFAOYSA-N 1 2 353.426 2.743 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCc2ccccc2C1 ZINC001355886955 1060696136 /nfs/dbraw/zinc/69/61/36/1060696136.db2.gz MTLAHCWJGIGTFJ-IBGZPJMESA-N 1 2 367.497 2.809 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCc2ccccc2C1 ZINC001355886955 1060696140 /nfs/dbraw/zinc/69/61/40/1060696140.db2.gz MTLAHCWJGIGTFJ-IBGZPJMESA-N 1 2 367.497 2.809 20 30 FFEDLO C=C(C)Cn1c(N2CCC3(C2)CCCCC3)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001355947266 1060752076 /nfs/dbraw/zinc/75/20/76/1060752076.db2.gz SOKAGSLQLFPXNN-XLIONFOSSA-N 1 2 373.545 2.926 20 30 FFEDLO C=C(C)Cn1c(N2CCC3(C2)CCCCC3)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001355947266 1060752093 /nfs/dbraw/zinc/75/20/93/1060752093.db2.gz SOKAGSLQLFPXNN-XLIONFOSSA-N 1 2 373.545 2.926 20 30 FFEDLO C=C(C)Cn1c(N2CCC3(CCCC3)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001355946831 1060752470 /nfs/dbraw/zinc/75/24/70/1060752470.db2.gz HYCBNMCVLGVZBL-VQIMIIECSA-N 1 2 359.518 2.536 20 30 FFEDLO C=C(C)Cn1c(N2CCC3(CCCC3)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001355946831 1060752485 /nfs/dbraw/zinc/75/24/85/1060752485.db2.gz HYCBNMCVLGVZBL-VQIMIIECSA-N 1 2 359.518 2.536 20 30 FFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000543886613 1061086538 /nfs/dbraw/zinc/08/65/38/1061086538.db2.gz NDQFJFGPYVSLEW-LBPRGKRZSA-N 1 2 369.816 2.804 20 30 FFEDLO N#Cc1c(N)sc2c1CC[N@H+]([C@@H]1CCN(c3ccc(F)cc3)C1=O)C2 ZINC001460895088 1061141218 /nfs/dbraw/zinc/14/12/18/1061141218.db2.gz PSPXLRDAKVFCJB-OAHLLOKOSA-N 1 2 356.426 2.505 20 30 FFEDLO N#Cc1c(N)sc2c1CC[N@@H+]([C@@H]1CCN(c3ccc(F)cc3)C1=O)C2 ZINC001460895088 1061141225 /nfs/dbraw/zinc/14/12/25/1061141225.db2.gz PSPXLRDAKVFCJB-OAHLLOKOSA-N 1 2 356.426 2.505 20 30 FFEDLO N#Cc1cc(F)cc(S(=O)(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001475618183 1061167588 /nfs/dbraw/zinc/16/75/88/1061167588.db2.gz AFZZMKNGDUAQLK-SFHVURJKSA-N 1 2 370.409 2.614 20 30 FFEDLO C=CCCn1cc(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)nn1 ZINC001526662693 1061209033 /nfs/dbraw/zinc/20/90/33/1061209033.db2.gz HXMQBBMXYOKKJP-UHFFFAOYSA-N 1 2 356.817 2.623 20 30 FFEDLO C=C(C)CN(CC)c1nnc([C@@]2(C)C[C@@H](O)C[N@@H+]2C)n1Cc1ccccc1 ZINC001522099724 1061547895 /nfs/dbraw/zinc/54/78/95/1061547895.db2.gz ANXCPNHVKUNMNR-WIYYLYMNSA-N 1 2 369.513 2.640 20 30 FFEDLO C=C(C)CN(CC)c1nnc([C@@]2(C)C[C@@H](O)C[N@H+]2C)n1Cc1ccccc1 ZINC001522099724 1061547902 /nfs/dbraw/zinc/54/79/02/1061547902.db2.gz ANXCPNHVKUNMNR-WIYYLYMNSA-N 1 2 369.513 2.640 20 30 FFEDLO COc1ncc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1C#N ZINC001477077977 1061568673 /nfs/dbraw/zinc/56/86/73/1061568673.db2.gz QBZYGJXZWNAHLL-CYBMUJFWSA-N 1 2 371.466 2.934 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccccc1 ZINC001522311472 1061918238 /nfs/dbraw/zinc/91/82/38/1061918238.db2.gz IUDPEGQRIUSXAM-XLIONFOSSA-N 1 2 368.460 2.729 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccccc1 ZINC001522311472 1061918262 /nfs/dbraw/zinc/91/82/62/1061918262.db2.gz IUDPEGQRIUSXAM-XLIONFOSSA-N 1 2 368.460 2.729 20 30 FFEDLO C=CCCC[C@H](C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1)c1ccccc1 ZINC001463863796 1062300840 /nfs/dbraw/zinc/30/08/40/1062300840.db2.gz XGYCQKVIEDALGV-FQEVSTJZSA-N 1 2 371.525 2.797 20 30 FFEDLO C=CCCC[C@H](C(=O)N1CCC[N@H+](CC(=O)NCC)CC1)c1ccccc1 ZINC001463863796 1062300859 /nfs/dbraw/zinc/30/08/59/1062300859.db2.gz XGYCQKVIEDALGV-FQEVSTJZSA-N 1 2 371.525 2.797 20 30 FFEDLO N#Cc1ccc(CC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cn1 ZINC001523333041 1062441735 /nfs/dbraw/zinc/44/17/35/1062441735.db2.gz ICNOHMHJDAAGFG-UHFFFAOYSA-N 1 2 351.797 2.651 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H](CC#N)c1ccccc1 ZINC001435498258 1062499722 /nfs/dbraw/zinc/49/97/22/1062499722.db2.gz SIDVJFRMZFLOHP-QGZVFWFLSA-N 1 2 350.422 2.863 20 30 FFEDLO COCCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)C[C@H](C)C#N ZINC001523611319 1062542470 /nfs/dbraw/zinc/54/24/70/1062542470.db2.gz FJVCHSGTRPEVFU-IAGOWNOFSA-N 1 2 370.501 2.713 20 30 FFEDLO COCCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)C[C@H](C)C#N ZINC001523611319 1062542493 /nfs/dbraw/zinc/54/24/93/1062542493.db2.gz FJVCHSGTRPEVFU-IAGOWNOFSA-N 1 2 370.501 2.713 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2ccccc2F)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001523780060 1062619915 /nfs/dbraw/zinc/61/99/15/1062619915.db2.gz XRCIGHUKPAADDW-UZLBHIALSA-N 1 2 373.476 2.541 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2ccccc2F)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001523780060 1062619921 /nfs/dbraw/zinc/61/99/21/1062619921.db2.gz XRCIGHUKPAADDW-UZLBHIALSA-N 1 2 373.476 2.541 20 30 FFEDLO CCOCCCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](C#N)C1 ZINC001524519936 1062878243 /nfs/dbraw/zinc/87/82/43/1062878243.db2.gz MSHQCFWJAQNPDR-DLBZAZTESA-N 1 2 360.506 2.601 20 30 FFEDLO CCOCCCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](C#N)C1 ZINC001524519936 1062878266 /nfs/dbraw/zinc/87/82/66/1062878266.db2.gz MSHQCFWJAQNPDR-DLBZAZTESA-N 1 2 360.506 2.601 20 30 FFEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001493322393 1063134931 /nfs/dbraw/zinc/13/49/31/1063134931.db2.gz OQTRKPYDJLPWNP-GJZGRUSLSA-N 1 2 359.308 2.704 20 30 FFEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001493322393 1063134939 /nfs/dbraw/zinc/13/49/39/1063134939.db2.gz OQTRKPYDJLPWNP-GJZGRUSLSA-N 1 2 359.308 2.704 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc(Cc3[nH+]ccn3C)n2C[C@H]2CCCO2)C1 ZINC001525116784 1063155642 /nfs/dbraw/zinc/15/56/42/1063155642.db2.gz QTYZAQGFMBJUEN-IAGOWNOFSA-N 1 2 370.501 2.574 20 30 FFEDLO N#Cc1sccc1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001525225018 1063207498 /nfs/dbraw/zinc/20/74/98/1063207498.db2.gz MYTOCVXUENEPIX-UHFFFAOYSA-N 1 2 374.897 2.825 20 30 FFEDLO C=C[C@H](C(=O)NCC1([NH2+]Cc2c[nH]nn2)CCCCC1)c1ccccc1 ZINC001575062682 1078102189 /nfs/dbraw/zinc/10/21/89/1078102189.db2.gz USRVIDIYYHESBN-SFHVURJKSA-N 1 2 353.470 2.683 20 30 FFEDLO C=C[C@H](C(=O)NCC1([NH2+]Cc2cn[nH]n2)CCCCC1)c1ccccc1 ZINC001575062682 1078102191 /nfs/dbraw/zinc/10/21/91/1078102191.db2.gz USRVIDIYYHESBN-SFHVURJKSA-N 1 2 353.470 2.683 20 30 FFEDLO C=CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2c[nH]nn2)C1)c1ccccc1 ZINC001575079631 1078103850 /nfs/dbraw/zinc/10/38/50/1078103850.db2.gz ZEVGBBNGEZDYMJ-WDYCEAGBSA-N 1 2 353.470 2.539 20 30 FFEDLO C=CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cn[nH]n2)C1)c1ccccc1 ZINC001575079631 1078103853 /nfs/dbraw/zinc/10/38/53/1078103853.db2.gz ZEVGBBNGEZDYMJ-WDYCEAGBSA-N 1 2 353.470 2.539 20 30 FFEDLO C[C@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])c(N)c3C#N)c[nH+]2)C[C@H](C)O1 ZINC001472772490 1065142874 /nfs/dbraw/zinc/14/28/74/1065142874.db2.gz LEPDVEMYNAXDCD-RYUDHWBXSA-N 1 2 368.397 2.801 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCCC1 ZINC001576195310 1078204053 /nfs/dbraw/zinc/20/40/53/1078204053.db2.gz XQSZSTXQBUOOJG-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCCC1 ZINC001576195310 1078204055 /nfs/dbraw/zinc/20/40/55/1078204055.db2.gz XQSZSTXQBUOOJG-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1ccccc1Oc1ccccc1C#N ZINC001557695378 1075875412 /nfs/dbraw/zinc/87/54/12/1075875412.db2.gz SBDBCALVOKOTEL-MRXNPFEDSA-N 1 2 362.389 2.547 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001560143183 1076234658 /nfs/dbraw/zinc/23/46/58/1076234658.db2.gz SQOCEIAWNYIBKF-DNVCBOLYSA-N 1 2 352.475 2.827 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@H+]1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001560143183 1076234659 /nfs/dbraw/zinc/23/46/59/1076234659.db2.gz SQOCEIAWNYIBKF-DNVCBOLYSA-N 1 2 352.475 2.827 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCc1ccc2c(c1)OCO2 ZINC001560148466 1076236775 /nfs/dbraw/zinc/23/67/75/1076236775.db2.gz VMPRMBUWJBYXGU-LJQANCHMSA-N 1 2 352.390 2.676 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccc2c(c1)OCO2 ZINC001560148466 1076236779 /nfs/dbraw/zinc/23/67/79/1076236779.db2.gz VMPRMBUWJBYXGU-LJQANCHMSA-N 1 2 352.390 2.676 20 30 FFEDLO C#CC[C@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C(=O)OC ZINC001560879819 1076306156 /nfs/dbraw/zinc/30/61/56/1076306156.db2.gz NBXXLHSHZASTJT-HMQMGEFJSA-N 1 2 364.486 2.709 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2sc(Cc3ccccc3)nc2C)CC1 ZINC001565814906 1076769940 /nfs/dbraw/zinc/76/99/40/1076769940.db2.gz NBAFAEANYQALIW-UHFFFAOYSA-N 1 2 353.491 2.823 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2sc(Cc3ccccc3)nc2C)CC1 ZINC001565814906 1076769946 /nfs/dbraw/zinc/76/99/46/1076769946.db2.gz NBAFAEANYQALIW-UHFFFAOYSA-N 1 2 353.491 2.823 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)no2)C[C@H]1c1ccccc1 ZINC001565883486 1076777989 /nfs/dbraw/zinc/77/79/89/1076777989.db2.gz MYEHIOCPIURNLO-DLBZAZTESA-N 1 2 354.454 2.674 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nc(C)no2)C[C@H]1c1ccccc1 ZINC001565883486 1076777992 /nfs/dbraw/zinc/77/79/92/1076777992.db2.gz MYEHIOCPIURNLO-DLBZAZTESA-N 1 2 354.454 2.674 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1c1ccccc1 ZINC001565883789 1076779574 /nfs/dbraw/zinc/77/95/74/1076779574.db2.gz ZUZOKMWRWWCKAZ-LSTHTHJFSA-N 1 2 367.497 2.502 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1c1ccccc1 ZINC001565883789 1076779577 /nfs/dbraw/zinc/77/95/77/1076779577.db2.gz ZUZOKMWRWWCKAZ-LSTHTHJFSA-N 1 2 367.497 2.502 20 30 FFEDLO Cc1nc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](NC(=O)[C@H](C)C#N)C2)c(C)o1 ZINC001565998658 1076833768 /nfs/dbraw/zinc/83/37/68/1076833768.db2.gz CMLSKPUGSVPCHA-LXGCGDOSSA-N 1 2 366.465 2.925 20 30 FFEDLO Cc1nc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](NC(=O)[C@H](C)C#N)C2)c(C)o1 ZINC001565998658 1076833771 /nfs/dbraw/zinc/83/37/71/1076833771.db2.gz CMLSKPUGSVPCHA-LXGCGDOSSA-N 1 2 366.465 2.925 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nnc(C)n2CCC)[C@@H]1CC ZINC001566019280 1076853392 /nfs/dbraw/zinc/85/33/92/1076853392.db2.gz IYUXIUAWIPOGBV-ZWKOTPCHSA-N 1 2 359.518 2.659 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nnc(C)n2CCC)[C@@H]1CC ZINC001566019280 1076853395 /nfs/dbraw/zinc/85/33/95/1076853395.db2.gz IYUXIUAWIPOGBV-ZWKOTPCHSA-N 1 2 359.518 2.659 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)COCC2CC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001566080331 1076887945 /nfs/dbraw/zinc/88/79/45/1076887945.db2.gz CZEIRACNZIPURN-BEFAXECRSA-N 1 2 360.885 2.697 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)COCC2CC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001566080331 1076887949 /nfs/dbraw/zinc/88/79/49/1076887949.db2.gz CZEIRACNZIPURN-BEFAXECRSA-N 1 2 360.885 2.697 20 30 FFEDLO COc1cccc(-c2cnc(C[N@@H+]3CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]3C)o2)c1 ZINC001566083087 1076889485 /nfs/dbraw/zinc/88/94/85/1076889485.db2.gz ZRZCMNKKXCXNCE-VBQJREDUSA-N 1 2 368.437 2.589 20 30 FFEDLO COc1cccc(-c2cnc(C[N@H+]3CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]3C)o2)c1 ZINC001566083087 1076889488 /nfs/dbraw/zinc/88/94/88/1076889488.db2.gz ZRZCMNKKXCXNCE-VBQJREDUSA-N 1 2 368.437 2.589 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@H+](Cc2csc(C)n2)[C@@H]1C ZINC001566098363 1076902924 /nfs/dbraw/zinc/90/29/24/1076902924.db2.gz ZDGZKXMNAUHIRZ-RPVQJOFSSA-N 1 2 351.516 2.759 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@@H+](Cc2csc(C)n2)[C@@H]1C ZINC001566098363 1076902927 /nfs/dbraw/zinc/90/29/27/1076902927.db2.gz ZDGZKXMNAUHIRZ-RPVQJOFSSA-N 1 2 351.516 2.759 20 30 FFEDLO C=C(CCC(=O)OC)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC001568005672 1077065807 /nfs/dbraw/zinc/06/58/07/1077065807.db2.gz BVGKHHFXTQKBCG-KRWDZBQOSA-N 1 2 374.481 2.627 20 30 FFEDLO C=C(CCC(=O)OC)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC001568005672 1077065812 /nfs/dbraw/zinc/06/58/12/1077065812.db2.gz BVGKHHFXTQKBCG-KRWDZBQOSA-N 1 2 374.481 2.627 20 30 FFEDLO CCCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001570068101 1077181057 /nfs/dbraw/zinc/18/10/57/1077181057.db2.gz LBSLYSKDJNVOAU-GGPKGHCWSA-N 1 2 352.519 2.733 20 30 FFEDLO CCCCCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001570068101 1077181060 /nfs/dbraw/zinc/18/10/60/1077181060.db2.gz LBSLYSKDJNVOAU-GGPKGHCWSA-N 1 2 352.519 2.733 20 30 FFEDLO CCCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001570068102 1077181068 /nfs/dbraw/zinc/18/10/68/1077181068.db2.gz LBSLYSKDJNVOAU-NSHGMRRFSA-N 1 2 352.519 2.733 20 30 FFEDLO CCCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001570068102 1077181070 /nfs/dbraw/zinc/18/10/70/1077181070.db2.gz LBSLYSKDJNVOAU-NSHGMRRFSA-N 1 2 352.519 2.733 20 30 FFEDLO C=C1CCC(C(=O)NCCC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001572121354 1077301964 /nfs/dbraw/zinc/30/19/64/1077301964.db2.gz UVLNYPVLEMTEBY-DJIMGWMZSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C1CCC(C(=O)NCCC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001572121354 1077301967 /nfs/dbraw/zinc/30/19/67/1077301967.db2.gz UVLNYPVLEMTEBY-DJIMGWMZSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001574498593 1078003507 /nfs/dbraw/zinc/00/35/07/1078003507.db2.gz HMOBQCDUEBCFHU-ZACQAIPSSA-N 1 2 372.513 2.777 20 30 FFEDLO N#Cc1cccnc1NCc1cccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c1 ZINC001585868738 1079507471 /nfs/dbraw/zinc/50/74/71/1079507471.db2.gz PUQYJGMXYADUJB-QGZVFWFLSA-N 1 2 358.405 2.637 20 30 FFEDLO C=CC[N@H+](Cc1cnnn1-c1ccccc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588652436 1080142159 /nfs/dbraw/zinc/14/21/59/1080142159.db2.gz ZUKALSGYGRCADH-UHFFFAOYSA-N 1 2 372.436 2.636 20 30 FFEDLO C=CC[N@@H+](Cc1cnnn1-c1ccccc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588652436 1080142164 /nfs/dbraw/zinc/14/21/64/1080142164.db2.gz ZUKALSGYGRCADH-UHFFFAOYSA-N 1 2 372.436 2.636 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CCc2ccsc2)CC1 ZINC001588742590 1080178599 /nfs/dbraw/zinc/17/85/99/1080178599.db2.gz SXYOUWVZTIAQDK-INIZCTEOSA-N 1 2 357.527 2.851 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C)CC2)CC1 ZINC001588780750 1080193004 /nfs/dbraw/zinc/19/30/04/1080193004.db2.gz WHDXBYCJQXQMCA-UHFFFAOYSA-N 1 2 370.888 2.549 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001588806543 1080204323 /nfs/dbraw/zinc/20/43/23/1080204323.db2.gz UUXSBVKQXBZPLZ-MRXNPFEDSA-N 1 2 363.456 2.736 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC)CC1 ZINC001588835608 1080212899 /nfs/dbraw/zinc/21/28/99/1080212899.db2.gz CODVBDMHZBLHSS-UHFFFAOYSA-N 1 2 373.451 2.702 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC3CCCC3)n2CCOCCCC)CC1 ZINC001588856955 1080219010 /nfs/dbraw/zinc/21/90/10/1080219010.db2.gz FYJFVAADOSUPKT-UHFFFAOYSA-N 1 2 373.545 2.583 20 30 FFEDLO N#Cc1ccc(-n2ccc(NC(=O)NCCNc3cccc[nH+]3)n2)c(F)c1 ZINC000541102275 541150684 /nfs/dbraw/zinc/15/06/84/541150684.db2.gz ZSYDJPNFAYGVJY-UHFFFAOYSA-N 1 2 365.372 2.512 20 30 FFEDLO COc1c(C)c[nH+]c(CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)c1C ZINC000071907307 205454515 /nfs/dbraw/zinc/45/45/15/205454515.db2.gz SWHFXURRJBMKLV-HXUWFJFHSA-N 1 2 364.405 2.546 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000029658012 249351262 /nfs/dbraw/zinc/35/12/62/249351262.db2.gz SNXWQMSWRFFDLT-AZUAARDMSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000029658012 249351266 /nfs/dbraw/zinc/35/12/66/249351266.db2.gz SNXWQMSWRFFDLT-AZUAARDMSA-N 1 2 356.397 2.511 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554904 250077662 /nfs/dbraw/zinc/07/76/62/250077662.db2.gz VBHIAEQPHQDGHM-INIZCTEOSA-N 1 2 359.433 2.579 20 30 FFEDLO N#Cc1cccc(OC2CC[NH+](Cc3nnnn3-c3ccccc3)CC2)c1 ZINC000104714535 250183899 /nfs/dbraw/zinc/18/38/99/250183899.db2.gz UOVHYBFAMRMWJQ-UHFFFAOYSA-N 1 2 360.421 2.577 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cn4cc(Cl)ccc4n3)CC2)cn1 ZINC000267391650 251343823 /nfs/dbraw/zinc/34/38/23/251343823.db2.gz NOEYHJPBARQIDX-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@H]3CC4(CCC4)C(=O)O3)CC2)c(Cl)c1 ZINC000277634434 256220151 /nfs/dbraw/zinc/22/01/51/256220151.db2.gz BNYORBDCSPVBLK-OAHLLOKOSA-N 1 2 359.857 2.819 20 30 FFEDLO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)n1 ZINC000277917921 256255205 /nfs/dbraw/zinc/25/52/05/256255205.db2.gz XTGOWYHXPURJPR-UHFFFAOYSA-N 1 2 373.844 2.886 20 30 FFEDLO C[C@@H]1CCSCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000279254768 256398705 /nfs/dbraw/zinc/39/87/05/256398705.db2.gz LOWXOWULTJDZOA-CQSZACIVSA-N 1 2 355.467 2.510 20 30 FFEDLO C[C@@H]1CCSCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000279254768 256398707 /nfs/dbraw/zinc/39/87/07/256398707.db2.gz LOWXOWULTJDZOA-CQSZACIVSA-N 1 2 355.467 2.510 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278957775 256366218 /nfs/dbraw/zinc/36/62/18/256366218.db2.gz ZQSYKKGPKZTAEI-ZBFHGGJFSA-N 1 2 368.412 2.963 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278957775 256366220 /nfs/dbraw/zinc/36/62/20/256366220.db2.gz ZQSYKKGPKZTAEI-ZBFHGGJFSA-N 1 2 368.412 2.963 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(C#N)c1C ZINC000286357163 257033148 /nfs/dbraw/zinc/03/31/48/257033148.db2.gz FTUYQZJHSSECHP-VHRBIJSZSA-N 1 2 373.375 2.588 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(C#N)c1C ZINC000286357163 257033149 /nfs/dbraw/zinc/03/31/49/257033149.db2.gz FTUYQZJHSSECHP-VHRBIJSZSA-N 1 2 373.375 2.588 20 30 FFEDLO CC(=O)NCC1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000287237629 257079028 /nfs/dbraw/zinc/07/90/28/257079028.db2.gz JTELCTQNSGOHSW-UHFFFAOYSA-N 1 2 350.260 2.669 20 30 FFEDLO N#Cc1cccc(-c2cc(-c3nc([C@H]4C[N@@H+](C5CC5)CCO4)no3)on2)c1 ZINC000289191664 257264982 /nfs/dbraw/zinc/26/49/82/257264982.db2.gz WSCJEWBUQDEPRV-QGZVFWFLSA-N 1 2 363.377 2.799 20 30 FFEDLO N#Cc1cccc(-c2cc(-c3nc([C@H]4C[N@H+](C5CC5)CCO4)no3)on2)c1 ZINC000289191664 257264983 /nfs/dbraw/zinc/26/49/83/257264983.db2.gz WSCJEWBUQDEPRV-QGZVFWFLSA-N 1 2 363.377 2.799 20 30 FFEDLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCN(c2ccccc2C#N)CC1 ZINC000301160736 258030194 /nfs/dbraw/zinc/03/01/94/258030194.db2.gz FRDVOHPIRVENMD-UHFFFAOYSA-N 1 2 361.453 2.780 20 30 FFEDLO CCCCCC(=O)NC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000299540991 258003458 /nfs/dbraw/zinc/00/34/58/258003458.db2.gz JALZRZAVHXSHGG-UHFFFAOYSA-N 1 2 362.499 2.719 20 30 FFEDLO CCc1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)c(C#N)c1CC ZINC000301725087 258064651 /nfs/dbraw/zinc/06/46/51/258064651.db2.gz ULIQFCWEHSPPMR-UHFFFAOYSA-N 1 2 353.445 2.934 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c(C#N)c1C ZINC000330650224 258167420 /nfs/dbraw/zinc/16/74/20/258167420.db2.gz HNDQDPNJYLJIES-CQSZACIVSA-N 1 2 374.485 2.674 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c(C#N)c1C ZINC000331203085 258179681 /nfs/dbraw/zinc/17/96/81/258179681.db2.gz NSKZWTHXZUTCRA-DGCLKSJQSA-N 1 2 361.389 2.563 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c(C#N)c1C ZINC000331203085 258179682 /nfs/dbraw/zinc/17/96/82/258179682.db2.gz NSKZWTHXZUTCRA-DGCLKSJQSA-N 1 2 361.389 2.563 20 30 FFEDLO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1nc(C(C)(C)C)no1 ZINC000331451562 258186611 /nfs/dbraw/zinc/18/66/11/258186611.db2.gz XSNJOETVQFIKGS-JQWIXIFHSA-N 1 2 359.455 2.756 20 30 FFEDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3ccc(C#N)cc3F)CC2)C1 ZINC000332005823 258209809 /nfs/dbraw/zinc/20/98/09/258209809.db2.gz SCWPGLOJEBEGDL-LPHOPBHVSA-N 1 2 372.488 2.510 20 30 FFEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000332573213 258235889 /nfs/dbraw/zinc/23/58/89/258235889.db2.gz ZRJHEXXEJKONPG-HNNXBMFYSA-N 1 2 360.889 2.735 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000016473989 132373526 /nfs/dbraw/zinc/37/35/26/132373526.db2.gz FCZZJHUGLGRBDL-MRXNPFEDSA-N 1 2 358.461 2.679 20 30 FFEDLO C=CCc1ccc(OCC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c(OC)c1 ZINC000373063213 512153661 /nfs/dbraw/zinc/15/36/61/512153661.db2.gz KQEYINULBJDAFK-QGZVFWFLSA-N 1 2 369.465 2.942 20 30 FFEDLO CCCCCNC(=O)C1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000052721522 506237702 /nfs/dbraw/zinc/23/77/02/506237702.db2.gz VRTDHVZFSHCHFL-UHFFFAOYSA-N 1 2 362.499 2.577 20 30 FFEDLO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1C#N ZINC000064961568 506246424 /nfs/dbraw/zinc/24/64/24/506246424.db2.gz BOEBVMPEYZLUKV-UHFFFAOYSA-N 1 2 358.463 2.863 20 30 FFEDLO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1C#N ZINC000064961568 506246431 /nfs/dbraw/zinc/24/64/31/506246431.db2.gz BOEBVMPEYZLUKV-UHFFFAOYSA-N 1 2 358.463 2.863 20 30 FFEDLO N#Cc1ccc(OCC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000032483783 506257950 /nfs/dbraw/zinc/25/79/50/506257950.db2.gz LEIVBARGLDNKBP-UHFFFAOYSA-N 1 2 369.852 2.935 20 30 FFEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1csc(Br)c1 ZINC000053354312 506363177 /nfs/dbraw/zinc/36/31/77/506363177.db2.gz VZZOVMMMLDERFJ-AWEZNQCLSA-N 1 2 356.289 2.751 20 30 FFEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1csc(Br)c1 ZINC000053354312 506363179 /nfs/dbraw/zinc/36/31/79/506363179.db2.gz VZZOVMMMLDERFJ-AWEZNQCLSA-N 1 2 356.289 2.751 20 30 FFEDLO N#C[C@@H]1N(C(=O)c2cccc(-n3cc[nH+]c3)c2)CCC[C@@]12CCCCO2 ZINC000377273815 512196533 /nfs/dbraw/zinc/19/65/33/512196533.db2.gz RTZNKGNYGWPUDE-ICSRJNTNSA-N 1 2 350.422 2.940 20 30 FFEDLO COc1ccccc1[C@H](NC(=O)c1ccc(F)c(C#N)c1)c1[nH+]ccn1C ZINC000375189182 512204194 /nfs/dbraw/zinc/20/41/94/512204194.db2.gz SZKUBBCEMCZKTQ-SFHVURJKSA-N 1 2 364.380 2.959 20 30 FFEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000375254064 512233979 /nfs/dbraw/zinc/23/39/79/512233979.db2.gz IAUYVWUUDSEYJA-KUHUBIRLSA-N 1 2 354.454 2.901 20 30 FFEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000375254064 512233982 /nfs/dbraw/zinc/23/39/82/512233982.db2.gz IAUYVWUUDSEYJA-KUHUBIRLSA-N 1 2 354.454 2.901 20 30 FFEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000371132260 512234680 /nfs/dbraw/zinc/23/46/80/512234680.db2.gz VKQDZOWDRJGMKX-PXNSSMCTSA-N 1 2 351.454 2.519 20 30 FFEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000371132260 512234687 /nfs/dbraw/zinc/23/46/87/512234687.db2.gz VKQDZOWDRJGMKX-PXNSSMCTSA-N 1 2 351.454 2.519 20 30 FFEDLO CC(C)(C#N)c1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000369128442 512240946 /nfs/dbraw/zinc/24/09/46/512240946.db2.gz UNFNXZCMPBFBLC-LJQANCHMSA-N 1 2 355.482 2.815 20 30 FFEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@@H](CC)c3ccc(F)cc3F)CC2)C1=O ZINC000410379135 512249210 /nfs/dbraw/zinc/24/92/10/512249210.db2.gz FBTYURLXWJLAOE-RBUKOAKNSA-N 1 2 363.452 2.820 20 30 FFEDLO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000065949632 506401030 /nfs/dbraw/zinc/40/10/30/506401030.db2.gz SCMLTZLDZFFUEL-LJQANCHMSA-N 1 2 374.448 2.858 20 30 FFEDLO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000065949632 506401036 /nfs/dbraw/zinc/40/10/36/506401036.db2.gz SCMLTZLDZFFUEL-LJQANCHMSA-N 1 2 374.448 2.858 20 30 FFEDLO Cc1ccc(-c2nnc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)o2)cc1 ZINC000039265424 506448596 /nfs/dbraw/zinc/44/85/96/506448596.db2.gz FDJLXYNQTAMTJT-UHFFFAOYSA-N 1 2 360.421 2.634 20 30 FFEDLO N#Cc1cccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000053959550 506466286 /nfs/dbraw/zinc/46/62/86/506466286.db2.gz HMJOVOOELWYVPO-LJQANCHMSA-N 1 2 350.422 2.581 20 30 FFEDLO N#Cc1cccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000053959550 506466289 /nfs/dbraw/zinc/46/62/89/506466289.db2.gz HMJOVOOELWYVPO-LJQANCHMSA-N 1 2 350.422 2.581 20 30 FFEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000054292194 506532922 /nfs/dbraw/zinc/53/29/22/506532922.db2.gz JYJQEDLDAOSJFF-UHFFFAOYSA-N 1 2 361.530 2.692 20 30 FFEDLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000054391772 506549045 /nfs/dbraw/zinc/54/90/45/506549045.db2.gz SGCZAIFKVBPHQH-OAHLLOKOSA-N 1 2 368.481 2.734 20 30 FFEDLO CC(=O)Nc1cccc2c1CC[N@H+]([C@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000054391772 506549051 /nfs/dbraw/zinc/54/90/51/506549051.db2.gz SGCZAIFKVBPHQH-OAHLLOKOSA-N 1 2 368.481 2.734 20 30 FFEDLO C[C@H](C(=O)NCc1cccs1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000042133556 506602549 /nfs/dbraw/zinc/60/25/49/506602549.db2.gz ZOPKDMLYWWXOQH-CQSZACIVSA-N 1 2 372.469 2.586 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc3c(c2)OCCO3)c(C#N)c1C ZINC000042334591 506619351 /nfs/dbraw/zinc/61/93/51/506619351.db2.gz FTYNHQOLLYQYJP-ZDUSSCGKSA-N 1 2 369.421 2.998 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc3c(c2)OCCO3)c(C#N)c1C ZINC000042334591 506619361 /nfs/dbraw/zinc/61/93/61/506619361.db2.gz FTYNHQOLLYQYJP-ZDUSSCGKSA-N 1 2 369.421 2.998 20 30 FFEDLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)cc1 ZINC000054990464 506655961 /nfs/dbraw/zinc/65/59/61/506655961.db2.gz XDBBTDNVXCFTGL-UHFFFAOYSA-N 1 2 366.465 2.546 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000042978790 506684112 /nfs/dbraw/zinc/68/41/12/506684112.db2.gz NLVDMXSNBDIIIJ-YSYFUTBUSA-N 1 2 368.525 2.760 20 30 FFEDLO CCCn1nccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043722658 506773304 /nfs/dbraw/zinc/77/33/04/506773304.db2.gz OOZGXJYYPXBHNO-UHFFFAOYSA-N 1 2 352.442 2.514 20 30 FFEDLO CN(C)c1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000067705665 506981079 /nfs/dbraw/zinc/98/10/79/506981079.db2.gz DWHJIJPRBRAVLQ-UHFFFAOYSA-N 1 2 366.440 2.721 20 30 FFEDLO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000016730481 507105444 /nfs/dbraw/zinc/10/54/44/507105444.db2.gz FIFOLHMBPPCMEV-UHFFFAOYSA-N 1 2 369.490 2.514 20 30 FFEDLO N#Cc1ccc(NC(=O)C(=O)NCCCCNc2cccc[nH+]2)cc1Cl ZINC000068420409 507224296 /nfs/dbraw/zinc/22/42/96/507224296.db2.gz YUOVLCDDZLHCPE-UHFFFAOYSA-N 1 2 371.828 2.554 20 30 FFEDLO Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367071635 512324213 /nfs/dbraw/zinc/32/42/13/512324213.db2.gz FTDSVKVAXOJHCX-CTNGQTDRSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367071635 512324217 /nfs/dbraw/zinc/32/42/17/512324217.db2.gz FTDSVKVAXOJHCX-CTNGQTDRSA-N 1 2 352.434 2.680 20 30 FFEDLO C[C@@H](C(=O)N1CCc2ccccc21)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781511 507309267 /nfs/dbraw/zinc/30/92/67/507309267.db2.gz WBRUZXYWSCOQHO-SFHVURJKSA-N 1 2 374.488 2.654 20 30 FFEDLO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000022781511 507309279 /nfs/dbraw/zinc/30/92/79/507309279.db2.gz WBRUZXYWSCOQHO-SFHVURJKSA-N 1 2 374.488 2.654 20 30 FFEDLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000022781622 507309811 /nfs/dbraw/zinc/30/98/11/507309811.db2.gz CWOYALJHNWFXJB-GBESFXJTSA-N 1 2 368.525 2.854 20 30 FFEDLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781622 507309814 /nfs/dbraw/zinc/30/98/14/507309814.db2.gz CWOYALJHNWFXJB-GBESFXJTSA-N 1 2 368.525 2.854 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000023478570 507355916 /nfs/dbraw/zinc/35/59/16/507355916.db2.gz NJHFMEMBTGCQNG-JOCHJYFZSA-N 1 2 374.488 2.696 20 30 FFEDLO N#Cc1ccc(CN2CC[NH+]([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000023478570 507355923 /nfs/dbraw/zinc/35/59/23/507355923.db2.gz NJHFMEMBTGCQNG-JOCHJYFZSA-N 1 2 374.488 2.696 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)Cc1cccc(C#N)c1 ZINC000026324453 507577711 /nfs/dbraw/zinc/57/77/11/507577711.db2.gz IPKMOYILXIKQJH-UHFFFAOYSA-N 1 2 359.332 2.950 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)Cc1cccc(C#N)c1 ZINC000026324453 507577716 /nfs/dbraw/zinc/57/77/16/507577716.db2.gz IPKMOYILXIKQJH-UHFFFAOYSA-N 1 2 359.332 2.950 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)c2cccc(CC#N)c2)[NH+]2CCOCC2)c1 ZINC000049734387 507634335 /nfs/dbraw/zinc/63/43/35/507634335.db2.gz QTDUXJOUWWECLZ-NRFANRHFSA-N 1 2 363.461 2.864 20 30 FFEDLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)N[C@](C)(C#N)C(C)C ZINC000071013258 507678861 /nfs/dbraw/zinc/67/88/61/507678861.db2.gz PEAUPZVKSKTJSN-LJQANCHMSA-N 1 2 362.449 2.529 20 30 FFEDLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)N[C@](C)(C#N)C(C)C ZINC000071013258 507678868 /nfs/dbraw/zinc/67/88/68/507678868.db2.gz PEAUPZVKSKTJSN-LJQANCHMSA-N 1 2 362.449 2.529 20 30 FFEDLO N#CC1(N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C2CC2)CCC1 ZINC000410749118 512356361 /nfs/dbraw/zinc/35/63/61/512356361.db2.gz OKJIPDNQUVZXCJ-UHFFFAOYSA-N 1 2 351.366 2.831 20 30 FFEDLO O=C(C[NH+]1CCC(O)CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000029119230 507762060 /nfs/dbraw/zinc/76/20/60/507762060.db2.gz SQDVXNUARUXJAW-UHFFFAOYSA-N 1 2 362.411 2.763 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(C#N)cc1 ZINC000063754040 507768554 /nfs/dbraw/zinc/76/85/54/507768554.db2.gz UICZAJKYVNSDIQ-UHFFFAOYSA-N 1 2 359.376 2.924 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(C#N)cc1 ZINC000063754040 507768557 /nfs/dbraw/zinc/76/85/57/507768557.db2.gz UICZAJKYVNSDIQ-UHFFFAOYSA-N 1 2 359.376 2.924 20 30 FFEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000051452334 507771380 /nfs/dbraw/zinc/77/13/80/507771380.db2.gz RHGKHOZDKBKCTH-INIZCTEOSA-N 1 2 358.486 2.654 20 30 FFEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000051452334 507771382 /nfs/dbraw/zinc/77/13/82/507771382.db2.gz RHGKHOZDKBKCTH-INIZCTEOSA-N 1 2 358.486 2.654 20 30 FFEDLO N#Cc1ccc(CN2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000051591803 507776864 /nfs/dbraw/zinc/77/68/64/507776864.db2.gz LHTXLHBJEBFRKJ-UHFFFAOYSA-N 1 2 366.421 2.663 20 30 FFEDLO CCN(C(=O)[C@@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000029447140 507778180 /nfs/dbraw/zinc/77/81/80/507778180.db2.gz LSJSZLJOMSDBQM-QGZVFWFLSA-N 1 2 363.465 2.517 20 30 FFEDLO C[C@H]1CCCC[C@H]1N(C)C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000051621477 507778544 /nfs/dbraw/zinc/77/85/44/507778544.db2.gz NFBRRXCNAGNYGE-GHTZIAJQSA-N 1 2 368.525 2.713 20 30 FFEDLO C[C@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000051621477 507778547 /nfs/dbraw/zinc/77/85/47/507778547.db2.gz NFBRRXCNAGNYGE-GHTZIAJQSA-N 1 2 368.525 2.713 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000029669912 507786683 /nfs/dbraw/zinc/78/66/83/507786683.db2.gz GEXFXRJACDFPQF-MRXNPFEDSA-N 1 2 360.417 2.887 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1cc(OC)ccc1OC)C1CC1 ZINC000052565578 507814345 /nfs/dbraw/zinc/81/43/45/507814345.db2.gz DKBNCTUKCSKLCK-OAHLLOKOSA-N 1 2 359.470 2.676 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1cc(OC)ccc1OC)C1CC1 ZINC000052565578 507814346 /nfs/dbraw/zinc/81/43/46/507814346.db2.gz DKBNCTUKCSKLCK-OAHLLOKOSA-N 1 2 359.470 2.676 20 30 FFEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cs1 ZINC000072920185 507873649 /nfs/dbraw/zinc/87/36/49/507873649.db2.gz CDIXUESRXWYNLY-QMMMGPOBSA-N 1 2 354.382 2.588 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+]([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000078616217 507889803 /nfs/dbraw/zinc/88/98/03/507889803.db2.gz AAVAQLYOWVDQKQ-VXKWHMMOSA-N 1 2 374.488 2.889 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000108363877 507890400 /nfs/dbraw/zinc/89/04/00/507890400.db2.gz WRQRLFYDMGVBOK-GDBMZVCRSA-N 1 2 374.510 2.620 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000108363877 507890403 /nfs/dbraw/zinc/89/04/03/507890403.db2.gz WRQRLFYDMGVBOK-GDBMZVCRSA-N 1 2 374.510 2.620 20 30 FFEDLO COC(=O)c1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)oc1C ZINC000073105292 507894037 /nfs/dbraw/zinc/89/40/37/507894037.db2.gz QKLYURVREHQMAE-LBPRGKRZSA-N 1 2 355.394 2.705 20 30 FFEDLO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)oc1C ZINC000073105292 507894040 /nfs/dbraw/zinc/89/40/40/507894040.db2.gz QKLYURVREHQMAE-LBPRGKRZSA-N 1 2 355.394 2.705 20 30 FFEDLO COc1c(C)c[nH+]c(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)c1C ZINC000078817886 507910439 /nfs/dbraw/zinc/91/04/39/507910439.db2.gz VJEKKEFCMJSUMG-HXUWFJFHSA-N 1 2 364.405 2.546 20 30 FFEDLO Cc1c(Br)cccc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000090551536 507926881 /nfs/dbraw/zinc/92/68/81/507926881.db2.gz QRRHISFVKDAQLL-UHFFFAOYSA-N 1 2 366.303 2.805 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091083368 507952664 /nfs/dbraw/zinc/95/26/64/507952664.db2.gz PJRMALYYTABLHI-MRXNPFEDSA-N 1 2 364.440 2.595 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCCN(CC(F)F)CC1 ZINC000091083368 507952668 /nfs/dbraw/zinc/95/26/68/507952668.db2.gz PJRMALYYTABLHI-MRXNPFEDSA-N 1 2 364.440 2.595 20 30 FFEDLO Cc1cccn2cc(-c3ccc(NC(=O)C(=O)NC[C@@H](C)C#N)cc3)[nH+]c12 ZINC000091267520 507977620 /nfs/dbraw/zinc/97/76/20/507977620.db2.gz XWWKIAINHYLBHA-ZDUSSCGKSA-N 1 2 361.405 2.524 20 30 FFEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000091589370 507994488 /nfs/dbraw/zinc/99/44/88/507994488.db2.gz QOVIIRRAFHMJKO-MOPGFXCFSA-N 1 2 374.916 2.779 20 30 FFEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000091589370 507994490 /nfs/dbraw/zinc/99/44/90/507994490.db2.gz QOVIIRRAFHMJKO-MOPGFXCFSA-N 1 2 374.916 2.779 20 30 FFEDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000092042291 508036137 /nfs/dbraw/zinc/03/61/37/508036137.db2.gz IYWZPXUEXVHRFN-IERDGZPVSA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000092042291 508036140 /nfs/dbraw/zinc/03/61/40/508036140.db2.gz IYWZPXUEXVHRFN-IERDGZPVSA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@H](NC(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1)c1ccccc1 ZINC000080906128 508110410 /nfs/dbraw/zinc/11/04/10/508110410.db2.gz GXEWSFBOROWCMW-RXVVDRJESA-N 1 2 362.477 2.746 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C1(C(N)=O)CCCC1 ZINC000093213663 508128526 /nfs/dbraw/zinc/12/85/26/508128526.db2.gz BEXPKZNPAKLCMV-AWEZNQCLSA-N 1 2 374.510 2.749 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000093213663 508128528 /nfs/dbraw/zinc/12/85/28/508128528.db2.gz BEXPKZNPAKLCMV-AWEZNQCLSA-N 1 2 374.510 2.749 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000081047642 508130171 /nfs/dbraw/zinc/13/01/71/508130171.db2.gz FZTOLAZGYUMSAK-KRWDZBQOSA-N 1 2 369.387 2.549 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000081047642 508130174 /nfs/dbraw/zinc/13/01/74/508130174.db2.gz FZTOLAZGYUMSAK-KRWDZBQOSA-N 1 2 369.387 2.549 20 30 FFEDLO COc1ccc([C@H](CO)[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000075742437 508132445 /nfs/dbraw/zinc/13/24/45/508132445.db2.gz AEZRIVPYEHWEIW-SFHVURJKSA-N 1 2 364.405 2.782 20 30 FFEDLO COc1ccc([C@H](CO)[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000075742437 508132447 /nfs/dbraw/zinc/13/24/47/508132447.db2.gz AEZRIVPYEHWEIW-SFHVURJKSA-N 1 2 364.405 2.782 20 30 FFEDLO N#Cc1ccc2[nH+]cc(CN3CCN(c4cc(F)ccc4F)CC3)n2c1 ZINC000093393560 508144040 /nfs/dbraw/zinc/14/40/40/508144040.db2.gz MATPKAIPABPDER-UHFFFAOYSA-N 1 2 353.376 2.806 20 30 FFEDLO N#Cc1ccc2ncc(C[NH+]3CCN(c4cc(F)ccc4F)CC3)n2c1 ZINC000093393560 508144042 /nfs/dbraw/zinc/14/40/42/508144042.db2.gz MATPKAIPABPDER-UHFFFAOYSA-N 1 2 353.376 2.806 20 30 FFEDLO C=C(C)COc1cc(C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)ccc1OC ZINC000093422261 508144943 /nfs/dbraw/zinc/14/49/43/508144943.db2.gz LNIVHDNAUMMYIX-HUUCEWRRSA-N 1 2 355.500 2.904 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)ccc1OC ZINC000093422261 508144947 /nfs/dbraw/zinc/14/49/47/508144947.db2.gz LNIVHDNAUMMYIX-HUUCEWRRSA-N 1 2 355.500 2.904 20 30 FFEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCN(C4CC4)C(=O)C3)c2)c1 ZINC000093444766 508145829 /nfs/dbraw/zinc/14/58/29/508145829.db2.gz RFUYBLYWEPJVBK-UHFFFAOYSA-N 1 2 361.445 2.944 20 30 FFEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCN(C4CC4)C(=O)C3)c2)c1 ZINC000093444766 508145830 /nfs/dbraw/zinc/14/58/30/508145830.db2.gz RFUYBLYWEPJVBK-UHFFFAOYSA-N 1 2 361.445 2.944 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)cn1 ZINC000112193258 508159211 /nfs/dbraw/zinc/15/92/11/508159211.db2.gz BBJKZTHPYYBOFH-UHFFFAOYSA-N 1 2 352.375 2.941 20 30 FFEDLO CCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C[C@H]1CCCCO1 ZINC000081513274 508183568 /nfs/dbraw/zinc/18/35/68/508183568.db2.gz TZOJOOGGHQUTOA-QGZVFWFLSA-N 1 2 350.484 2.613 20 30 FFEDLO CCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C[C@H]1CCCCO1 ZINC000081513274 508183567 /nfs/dbraw/zinc/18/35/67/508183567.db2.gz TZOJOOGGHQUTOA-QGZVFWFLSA-N 1 2 350.484 2.613 20 30 FFEDLO CC(C)[C@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000103077999 508295508 /nfs/dbraw/zinc/29/55/08/508295508.db2.gz QZFMPPPFYQKHFZ-FQEVSTJZSA-N 1 2 357.498 2.891 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)cc1 ZINC000077497740 508324033 /nfs/dbraw/zinc/32/40/33/508324033.db2.gz WEROSJBRYRTKKA-UHFFFAOYSA-N 1 2 363.396 2.919 20 30 FFEDLO CC[N@H+](CCCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000077538415 508330221 /nfs/dbraw/zinc/33/02/21/508330221.db2.gz YBPZOTIGYBFWLO-UHFFFAOYSA-N 1 2 368.412 2.669 20 30 FFEDLO CC[N@@H+](CCCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000077538415 508330222 /nfs/dbraw/zinc/33/02/22/508330222.db2.gz YBPZOTIGYBFWLO-UHFFFAOYSA-N 1 2 368.412 2.669 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CC[NH+](Cc3c(C)noc3C)CC2)cc1 ZINC000106106612 508393537 /nfs/dbraw/zinc/39/35/37/508393537.db2.gz DWBBQKRWDOAOCZ-UHFFFAOYSA-N 1 2 355.438 2.814 20 30 FFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106583102 508402757 /nfs/dbraw/zinc/40/27/57/508402757.db2.gz OZEBYHCUDLCZIU-AWEZNQCLSA-N 1 2 370.950 2.735 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000115537549 508406136 /nfs/dbraw/zinc/40/61/36/508406136.db2.gz HSQLXDJZJQKEJQ-SFHVURJKSA-N 1 2 354.841 2.560 20 30 FFEDLO N#Cc1ccc(OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(F)c1 ZINC000127494897 508458786 /nfs/dbraw/zinc/45/87/86/508458786.db2.gz YCOLFFNYAOGEPM-UHFFFAOYSA-N 1 2 369.396 2.547 20 30 FFEDLO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H]2C(=O)Nc2nccs2)c1 ZINC000127598088 508474181 /nfs/dbraw/zinc/47/41/81/508474181.db2.gz RVDHRHGXKNGCRH-MRXNPFEDSA-N 1 2 356.451 2.887 20 30 FFEDLO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H]2C(=O)Nc2nccs2)c1 ZINC000127598088 508474184 /nfs/dbraw/zinc/47/41/84/508474184.db2.gz RVDHRHGXKNGCRH-MRXNPFEDSA-N 1 2 356.451 2.887 20 30 FFEDLO C=CCc1ccc(OCC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(OC)c1 ZINC000152635581 508483693 /nfs/dbraw/zinc/48/36/93/508483693.db2.gz KOPSRVZAVHMBQO-QGZVFWFLSA-N 1 2 367.449 2.593 20 30 FFEDLO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156932969 508498513 /nfs/dbraw/zinc/49/85/13/508498513.db2.gz MMIDRAKZDPIWCJ-YWZLYKJASA-N 1 2 370.474 2.656 20 30 FFEDLO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156932969 508498516 /nfs/dbraw/zinc/49/85/16/508498516.db2.gz MMIDRAKZDPIWCJ-YWZLYKJASA-N 1 2 370.474 2.656 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3cc(C)no3)CC2)cc1OC ZINC000122375964 508525683 /nfs/dbraw/zinc/52/56/83/508525683.db2.gz UANRMCLUHNOSOF-UHFFFAOYSA-N 1 2 357.454 2.874 20 30 FFEDLO C=CCOc1ccc(CN2CC[NH+](Cc3cc(C)no3)CC2)cc1OC ZINC000122375964 508525686 /nfs/dbraw/zinc/52/56/86/508525686.db2.gz UANRMCLUHNOSOF-UHFFFAOYSA-N 1 2 357.454 2.874 20 30 FFEDLO N#CCOc1ccc(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000116642838 508541299 /nfs/dbraw/zinc/54/12/99/508541299.db2.gz QDBASRYDKNIGJV-UHFFFAOYSA-N 1 2 365.433 2.602 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@H](CO)C1 ZINC000122625646 508564138 /nfs/dbraw/zinc/56/41/38/508564138.db2.gz ZENRIMDSCRLFKH-KGLIPLIRSA-N 1 2 361.511 2.920 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@H](CO)C1 ZINC000122625646 508564141 /nfs/dbraw/zinc/56/41/41/508564141.db2.gz ZENRIMDSCRLFKH-KGLIPLIRSA-N 1 2 361.511 2.920 20 30 FFEDLO N#CC1(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCCCC1 ZINC000153287170 508568133 /nfs/dbraw/zinc/56/81/33/508568133.db2.gz PFQXEVPZQICHQX-UHFFFAOYSA-N 1 2 356.426 2.902 20 30 FFEDLO N#CC1(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCCCC1 ZINC000153287170 508568135 /nfs/dbraw/zinc/56/81/35/508568135.db2.gz PFQXEVPZQICHQX-UHFFFAOYSA-N 1 2 356.426 2.902 20 30 FFEDLO CCC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000122739241 508580920 /nfs/dbraw/zinc/58/09/20/508580920.db2.gz QAQJDVKMGXPXHP-SFHVURJKSA-N 1 2 370.497 2.575 20 30 FFEDLO CCC(=O)N1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000122739241 508580924 /nfs/dbraw/zinc/58/09/24/508580924.db2.gz QAQJDVKMGXPXHP-SFHVURJKSA-N 1 2 370.497 2.575 20 30 FFEDLO Cc1[nH+]cc(CN2CCN(c3ncccc3C#N)CC2)n1-c1ccccc1 ZINC000122936550 508610020 /nfs/dbraw/zinc/61/00/20/508610020.db2.gz RAXGBYRIRFTRKZ-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000135590601 508628638 /nfs/dbraw/zinc/62/86/38/508628638.db2.gz PMERZNMDIRQPFX-GOSISDBHSA-N 1 2 351.454 2.676 20 30 FFEDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000135590601 508628642 /nfs/dbraw/zinc/62/86/42/508628642.db2.gz PMERZNMDIRQPFX-GOSISDBHSA-N 1 2 351.454 2.676 20 30 FFEDLO CCc1ncsc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000128969135 508665480 /nfs/dbraw/zinc/66/54/80/508665480.db2.gz JLTNULQNTBRSNW-UHFFFAOYSA-N 1 2 354.479 2.925 20 30 FFEDLO CCc1ncsc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000128969135 508665481 /nfs/dbraw/zinc/66/54/81/508665481.db2.gz JLTNULQNTBRSNW-UHFFFAOYSA-N 1 2 354.479 2.925 20 30 FFEDLO N#CCCn1ccc(NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)n1 ZINC000118893812 508691608 /nfs/dbraw/zinc/69/16/08/508691608.db2.gz OGKYLXDCBJLUMM-UHFFFAOYSA-N 1 2 367.457 2.894 20 30 FFEDLO C[N@H+](Cc1nc2ccccc2o1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000154003648 508696230 /nfs/dbraw/zinc/69/62/30/508696230.db2.gz HHENBFARNGVTDD-AWEZNQCLSA-N 1 2 352.419 2.998 20 30 FFEDLO C[N@@H+](Cc1nc2ccccc2o1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000154003648 508696234 /nfs/dbraw/zinc/69/62/34/508696234.db2.gz HHENBFARNGVTDD-AWEZNQCLSA-N 1 2 352.419 2.998 20 30 FFEDLO Cc1oc(NC(=O)CN2CC[NH+](Cc3cccc(F)c3)CC2)c(C#N)c1C ZINC000119320839 508771992 /nfs/dbraw/zinc/77/19/92/508771992.db2.gz NCEUUJNAMWQQHL-UHFFFAOYSA-N 1 2 370.428 2.664 20 30 FFEDLO C=CCCOCCNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000124059318 508777955 /nfs/dbraw/zinc/77/79/55/508777955.db2.gz HBGFVKAHJNSGNB-HNNXBMFYSA-N 1 2 367.440 2.821 20 30 FFEDLO C=CCCOCCNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000124059318 508777959 /nfs/dbraw/zinc/77/79/59/508777959.db2.gz HBGFVKAHJNSGNB-HNNXBMFYSA-N 1 2 367.440 2.821 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3c(O)cccc3F)CC2)cc1 ZINC000119460909 508800690 /nfs/dbraw/zinc/80/06/90/508800690.db2.gz UQRPRMRUEWMIIN-UHFFFAOYSA-N 1 2 353.397 2.751 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3c(O)cccc3F)CC2)cc1 ZINC000119460909 508800693 /nfs/dbraw/zinc/80/06/93/508800693.db2.gz UQRPRMRUEWMIIN-UHFFFAOYSA-N 1 2 353.397 2.751 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc(C#N)c1 ZINC000119658285 508838086 /nfs/dbraw/zinc/83/80/86/508838086.db2.gz BVHNLYFVXGFJIU-UHFFFAOYSA-N 1 2 363.417 2.956 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc(C#N)c1 ZINC000119658285 508838088 /nfs/dbraw/zinc/83/80/88/508838088.db2.gz BVHNLYFVXGFJIU-UHFFFAOYSA-N 1 2 363.417 2.956 20 30 FFEDLO Cc1ncsc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000119673554 508841914 /nfs/dbraw/zinc/84/19/14/508841914.db2.gz MYSVWFBBMAZLRG-UHFFFAOYSA-N 1 2 355.423 2.893 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000119841703 508874757 /nfs/dbraw/zinc/87/47/57/508874757.db2.gz UCZJGZKKAUPTAB-IBGZPJMESA-N 1 2 368.868 2.556 20 30 FFEDLO Cc1ccccc1[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000131413328 508928558 /nfs/dbraw/zinc/92/85/58/508928558.db2.gz CCMDBODRABLVMY-UGKGYDQZSA-N 1 2 366.461 2.874 20 30 FFEDLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000131413328 508928560 /nfs/dbraw/zinc/92/85/60/508928560.db2.gz CCMDBODRABLVMY-UGKGYDQZSA-N 1 2 366.461 2.874 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000125354442 508970214 /nfs/dbraw/zinc/97/02/14/508970214.db2.gz JEELMQXBAQWXHX-LJQANCHMSA-N 1 2 372.432 2.915 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000125354442 508970217 /nfs/dbraw/zinc/97/02/17/508970217.db2.gz JEELMQXBAQWXHX-LJQANCHMSA-N 1 2 372.432 2.915 20 30 FFEDLO C[C@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)C(=O)NC1(C#N)CCCCC1 ZINC000151235316 508983367 /nfs/dbraw/zinc/98/33/67/508983367.db2.gz CPLCCDPKIULTFL-HOTGVXAUSA-N 1 2 366.469 2.649 20 30 FFEDLO N#CCC[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000160492113 508995010 /nfs/dbraw/zinc/99/50/10/508995010.db2.gz RLYKOLDZJKZXBU-RBUKOAKNSA-N 1 2 356.470 2.538 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1cccc(Br)c1 ZINC000151904198 509107839 /nfs/dbraw/zinc/10/78/39/509107839.db2.gz VAQYLUJWHXXUIX-WFASDCNBSA-N 1 2 359.227 2.589 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OC ZINC000121197420 509148424 /nfs/dbraw/zinc/14/84/24/509148424.db2.gz CEPVREABDKGYJD-QGZVFWFLSA-N 1 2 354.406 2.949 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000127005983 509157640 /nfs/dbraw/zinc/15/76/40/509157640.db2.gz QRMALJMVOLMRBS-FHLIZLRMSA-N 1 2 366.889 2.809 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000127005983 509157642 /nfs/dbraw/zinc/15/76/42/509157642.db2.gz QRMALJMVOLMRBS-FHLIZLRMSA-N 1 2 366.889 2.809 20 30 FFEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000121622692 509179600 /nfs/dbraw/zinc/17/96/00/509179600.db2.gz GQZXBEXPYAWFQJ-IBGZPJMESA-N 1 2 351.406 2.666 20 30 FFEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000121622692 509179601 /nfs/dbraw/zinc/17/96/01/509179601.db2.gz GQZXBEXPYAWFQJ-IBGZPJMESA-N 1 2 351.406 2.666 20 30 FFEDLO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000266827603 509213964 /nfs/dbraw/zinc/21/39/64/509213964.db2.gz KFERJQUUXZHBLR-FQEVSTJZSA-N 1 2 367.424 2.870 20 30 FFEDLO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000266827603 509213971 /nfs/dbraw/zinc/21/39/71/509213971.db2.gz KFERJQUUXZHBLR-FQEVSTJZSA-N 1 2 367.424 2.870 20 30 FFEDLO CC[C@H](C)Oc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000175970592 509245647 /nfs/dbraw/zinc/24/56/47/509245647.db2.gz YUPHIIYVHGXDQM-KRWDZBQOSA-N 1 2 359.470 2.552 20 30 FFEDLO CC(C)[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1nc(-c2nc[nH]n2)no1 ZINC000188827457 509283107 /nfs/dbraw/zinc/28/31/07/509283107.db2.gz QXJHAKREPVCOHS-ZDUSSCGKSA-N 1 2 357.805 2.867 20 30 FFEDLO C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(SCC#N)c3)CC2)CC1 ZINC000176034899 509285082 /nfs/dbraw/zinc/28/50/82/509285082.db2.gz DXZXILKCHONFKJ-UHFFFAOYSA-N 1 2 372.538 2.591 20 30 FFEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)cs1 ZINC000267010324 509304912 /nfs/dbraw/zinc/30/49/12/509304912.db2.gz HDWAOODTCGPPIK-CQSZACIVSA-N 1 2 357.483 2.829 20 30 FFEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)cs1 ZINC000267010324 509304917 /nfs/dbraw/zinc/30/49/17/509304917.db2.gz HDWAOODTCGPPIK-CQSZACIVSA-N 1 2 357.483 2.829 20 30 FFEDLO N#C[C@@H](C(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1)c1nc2ccccc2c(=O)[nH]1 ZINC000264257665 509416820 /nfs/dbraw/zinc/41/68/20/509416820.db2.gz ZHZLVBYUYLGKKR-YOEHRIQHSA-N 1 2 361.405 2.677 20 30 FFEDLO N#C[C@@H](C(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1)c1nc2ccccc2c(=O)[nH]1 ZINC000264257665 509416823 /nfs/dbraw/zinc/41/68/23/509416823.db2.gz ZHZLVBYUYLGKKR-YOEHRIQHSA-N 1 2 361.405 2.677 20 30 FFEDLO CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000267332332 509451053 /nfs/dbraw/zinc/45/10/53/509451053.db2.gz HHWVJHSYRPOFLS-UHFFFAOYSA-N 1 2 365.437 2.556 20 30 FFEDLO CC(C)n1cc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 ZINC000179462036 509455893 /nfs/dbraw/zinc/45/58/93/509455893.db2.gz KXHZBSIMXWCPBH-UHFFFAOYSA-N 1 2 366.425 2.906 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000164085981 509461590 /nfs/dbraw/zinc/46/15/90/509461590.db2.gz GRBQJOAWIBMWNH-QGZVFWFLSA-N 1 2 358.388 2.829 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000164085981 509461594 /nfs/dbraw/zinc/46/15/94/509461594.db2.gz GRBQJOAWIBMWNH-QGZVFWFLSA-N 1 2 358.388 2.829 20 30 FFEDLO CC[C@@]1(CO)CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000249579633 509716651 /nfs/dbraw/zinc/71/66/51/509716651.db2.gz QMSPFJKUIZSNDD-BFUOFWGJSA-N 1 2 361.511 2.920 20 30 FFEDLO CC[C@@]1(CO)CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000249579633 509716658 /nfs/dbraw/zinc/71/66/58/509716658.db2.gz QMSPFJKUIZSNDD-BFUOFWGJSA-N 1 2 361.511 2.920 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000249902525 509779112 /nfs/dbraw/zinc/77/91/12/509779112.db2.gz UDHWYHKSJZQMOL-MJGOQNOKSA-N 1 2 374.506 2.993 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000249902525 509779115 /nfs/dbraw/zinc/77/91/15/509779115.db2.gz UDHWYHKSJZQMOL-MJGOQNOKSA-N 1 2 374.506 2.993 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000250522162 509798601 /nfs/dbraw/zinc/79/86/01/509798601.db2.gz OJMUVJWQUMKHBG-UYAOXDASSA-N 1 2 361.461 2.861 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000250522162 509798602 /nfs/dbraw/zinc/79/86/02/509798602.db2.gz OJMUVJWQUMKHBG-UYAOXDASSA-N 1 2 361.461 2.861 20 30 FFEDLO C=CC[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)[C@H]1CCS(=O)(=O)C1 ZINC000186649181 509826046 /nfs/dbraw/zinc/82/60/46/509826046.db2.gz GXNKXSTXLKORMP-INIZCTEOSA-N 1 2 351.468 2.507 20 30 FFEDLO C=CC[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)[C@H]1CCS(=O)(=O)C1 ZINC000186649181 509826051 /nfs/dbraw/zinc/82/60/51/509826051.db2.gz GXNKXSTXLKORMP-INIZCTEOSA-N 1 2 351.468 2.507 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000177071941 509853699 /nfs/dbraw/zinc/85/36/99/509853699.db2.gz YKLWBOHIRGMESK-AEFFLSMTSA-N 1 2 371.481 2.647 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000177071941 509853702 /nfs/dbraw/zinc/85/37/02/509853702.db2.gz YKLWBOHIRGMESK-AEFFLSMTSA-N 1 2 371.481 2.647 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000265141948 509886269 /nfs/dbraw/zinc/88/62/69/509886269.db2.gz BRSRGRFFKWHQMR-DLBZAZTESA-N 1 2 364.449 2.626 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000265187215 509909625 /nfs/dbraw/zinc/90/96/25/509909625.db2.gz BRSRGRFFKWHQMR-IAGOWNOFSA-N 1 2 364.449 2.626 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245412304 509913937 /nfs/dbraw/zinc/91/39/37/509913937.db2.gz AIRVHWXVHSUSFE-XPTSAGLGSA-N 1 2 361.751 2.538 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245412304 509913940 /nfs/dbraw/zinc/91/39/40/509913940.db2.gz AIRVHWXVHSUSFE-XPTSAGLGSA-N 1 2 361.751 2.538 20 30 FFEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)NCc2ccc(Cl)cc2)cs1 ZINC000174113449 509955017 /nfs/dbraw/zinc/95/50/17/509955017.db2.gz XWBLGLNWTAVGOA-SNVBAGLBSA-N 1 2 366.874 2.641 20 30 FFEDLO COC(=O)c1oc([C@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1C ZINC000180575714 509993280 /nfs/dbraw/zinc/99/32/80/509993280.db2.gz JWPPNRKOXBFIND-AWEZNQCLSA-N 1 2 354.410 2.525 20 30 FFEDLO CCOc1ccc(C#N)cc1NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000193632698 509999100 /nfs/dbraw/zinc/99/91/00/509999100.db2.gz UZUWKYBVSCZEDQ-UHFFFAOYSA-N 1 2 362.393 2.859 20 30 FFEDLO C=CC[C@@]1(C(=O)NCCCn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000190312991 510056341 /nfs/dbraw/zinc/05/63/41/510056341.db2.gz DQCANNJLXGXVKJ-IBGZPJMESA-N 1 2 362.474 2.735 20 30 FFEDLO CCc1ccc([C@H]2COCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)o1 ZINC000265475653 510075382 /nfs/dbraw/zinc/07/53/82/510075382.db2.gz FBXUBHRXVWJCKU-QFBILLFUSA-N 1 2 356.422 2.527 20 30 FFEDLO CCc1ccc([C@H]2COCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)o1 ZINC000265475653 510075389 /nfs/dbraw/zinc/07/53/89/510075389.db2.gz FBXUBHRXVWJCKU-QFBILLFUSA-N 1 2 356.422 2.527 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000180873376 510156590 /nfs/dbraw/zinc/15/65/90/510156590.db2.gz JSKRKMVJNSMGLD-UHFFFAOYSA-N 1 2 372.432 2.742 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000180873376 510156599 /nfs/dbraw/zinc/15/65/99/510156599.db2.gz JSKRKMVJNSMGLD-UHFFFAOYSA-N 1 2 372.432 2.742 20 30 FFEDLO N#CCC1(O)CN(C(=O)Cn2c3ccccc3[nH+]c2C2CCCCC2)C1 ZINC000193986681 510163871 /nfs/dbraw/zinc/16/38/71/510163871.db2.gz XUUHGMKMWBEQKN-UHFFFAOYSA-N 1 2 352.438 2.571 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000174574024 510187734 /nfs/dbraw/zinc/18/77/34/510187734.db2.gz WLAHHANVSAMBHM-FQEVSTJZSA-N 1 2 366.421 2.856 20 30 FFEDLO N#CC1(c2ccc(C(=O)N3CCCC[C@H]3C[NH+]3CCOCC3)cc2)CC1 ZINC000180953547 510204568 /nfs/dbraw/zinc/20/45/68/510204568.db2.gz QUIZTGQCMGBLLV-IBGZPJMESA-N 1 2 353.466 2.569 20 30 FFEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000177726337 510220186 /nfs/dbraw/zinc/22/01/86/510220186.db2.gz HFBTWBOHPWPXDM-PWECECGKSA-N 1 2 355.463 2.927 20 30 FFEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000177726337 510220188 /nfs/dbraw/zinc/22/01/88/510220188.db2.gz HFBTWBOHPWPXDM-PWECECGKSA-N 1 2 355.463 2.927 20 30 FFEDLO Cc1ccc([C@H](CNc2c(C#N)nnc3ccccc32)[NH+]2CCOCC2)o1 ZINC000265775991 510224123 /nfs/dbraw/zinc/22/41/23/510224123.db2.gz KGPXTLIOXNMOSX-SFHVURJKSA-N 1 2 363.421 2.888 20 30 FFEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(C#N)c(C)n3)CC2)c1 ZINC000171587844 510239536 /nfs/dbraw/zinc/23/95/36/510239536.db2.gz SVVYHYKZKJHFFU-INIZCTEOSA-N 1 2 364.449 2.789 20 30 FFEDLO CC(C)(C#N)CCC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000174811555 510325094 /nfs/dbraw/zinc/32/50/94/510325094.db2.gz OTBQSQVJTJXDRK-UHFFFAOYSA-N 1 2 371.453 2.601 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181273406 510332180 /nfs/dbraw/zinc/33/21/80/510332180.db2.gz JFEBNKVLQSYLIX-AAEUAGOBSA-N 1 2 350.406 2.506 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181273406 510332188 /nfs/dbraw/zinc/33/21/88/510332188.db2.gz JFEBNKVLQSYLIX-AAEUAGOBSA-N 1 2 350.406 2.506 20 30 FFEDLO C=CCC[C@@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000187644855 510368131 /nfs/dbraw/zinc/36/81/31/510368131.db2.gz DCDXXNVLEORGTO-FXAWDEMLSA-N 1 2 369.509 2.548 20 30 FFEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cs1 ZINC000178145233 510455665 /nfs/dbraw/zinc/45/56/65/510455665.db2.gz NDTPSELASAFRBW-WDEREUQCSA-N 1 2 364.446 2.688 20 30 FFEDLO CNC(=O)CC1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000175043599 510457536 /nfs/dbraw/zinc/45/75/36/510457536.db2.gz RGFJMAZQUOPVNB-UHFFFAOYSA-N 1 2 366.465 2.586 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000188142656 510615071 /nfs/dbraw/zinc/61/50/71/510615071.db2.gz FUTQKOIYSFOZGI-UHFFFAOYSA-N 1 2 364.449 2.539 20 30 FFEDLO N#CCCCOc1cccc(NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)c1 ZINC000188223221 510657790 /nfs/dbraw/zinc/65/77/90/510657790.db2.gz KQRRVEHSQYGWQY-LJQANCHMSA-N 1 2 357.454 2.809 20 30 FFEDLO N#CCCCOc1cccc(NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)c1 ZINC000188223221 510657797 /nfs/dbraw/zinc/65/77/97/510657797.db2.gz KQRRVEHSQYGWQY-LJQANCHMSA-N 1 2 357.454 2.809 20 30 FFEDLO C=CCSCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000172336059 510676637 /nfs/dbraw/zinc/67/66/37/510676637.db2.gz DEYQUSNMEFLWTH-UHFFFAOYSA-N 1 2 372.494 2.737 20 30 FFEDLO CC(C)[C@@H]1C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCS1 ZINC000266635720 510700592 /nfs/dbraw/zinc/70/05/92/510700592.db2.gz RMOFGEZZLZXMMB-PBHICJAKSA-N 1 2 370.478 2.585 20 30 FFEDLO CC(C)[C@@H]1C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCS1 ZINC000266635720 510700595 /nfs/dbraw/zinc/70/05/95/510700595.db2.gz RMOFGEZZLZXMMB-PBHICJAKSA-N 1 2 370.478 2.585 20 30 FFEDLO CCC1(CC)C[N@H+](CCC(=O)Nc2sccc2C#N)CC[S@]1=O ZINC000185227304 510759023 /nfs/dbraw/zinc/75/90/23/510759023.db2.gz XEOSMXOPWQDVEA-HSZRJFAPSA-N 1 2 353.513 2.571 20 30 FFEDLO CCC1(CC)C[N@@H+](CCC(=O)Nc2sccc2C#N)CC[S@]1=O ZINC000185227304 510759028 /nfs/dbraw/zinc/75/90/28/510759028.db2.gz XEOSMXOPWQDVEA-HSZRJFAPSA-N 1 2 353.513 2.571 20 30 FFEDLO C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000182119501 510767278 /nfs/dbraw/zinc/76/72/78/510767278.db2.gz KALOGQKQTRZQHP-UZLBHIALSA-N 1 2 365.433 2.817 20 30 FFEDLO C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000182119501 510767287 /nfs/dbraw/zinc/76/72/87/510767287.db2.gz KALOGQKQTRZQHP-UZLBHIALSA-N 1 2 365.433 2.817 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)o1 ZINC000191686726 510786542 /nfs/dbraw/zinc/78/65/42/510786542.db2.gz IUYLWPQRURIGRU-UHFFFAOYSA-N 1 2 357.361 2.734 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)o1 ZINC000191686726 510786545 /nfs/dbraw/zinc/78/65/45/510786545.db2.gz IUYLWPQRURIGRU-UHFFFAOYSA-N 1 2 357.361 2.734 20 30 FFEDLO N#CCCN(CCC#N)C(=O)CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270391146 510789980 /nfs/dbraw/zinc/78/99/80/510789980.db2.gz GXWNHWLQLKOFBC-UHFFFAOYSA-N 1 2 374.448 2.670 20 30 FFEDLO Cn1cc(CNc2ccc(N3CCOCC3)c[nH+]2)c(-c2ccc(C#N)cc2)n1 ZINC000182173966 510795967 /nfs/dbraw/zinc/79/59/67/510795967.db2.gz AQWXWNOCCYVWQF-UHFFFAOYSA-N 1 2 374.448 2.802 20 30 FFEDLO Cc1cc(NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)n(C)n1 ZINC000329952631 510885432 /nfs/dbraw/zinc/88/54/32/510885432.db2.gz NGSHPXLWGZCFNN-STQMWFEESA-N 1 2 351.451 2.729 20 30 FFEDLO Cc1cc(NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)n(C)n1 ZINC000329952631 510885438 /nfs/dbraw/zinc/88/54/38/510885438.db2.gz NGSHPXLWGZCFNN-STQMWFEESA-N 1 2 351.451 2.729 20 30 FFEDLO CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c1 ZINC000329955106 510886069 /nfs/dbraw/zinc/88/60/69/510886069.db2.gz OVYMNWPUZTYQKW-OXQOHEQNSA-N 1 2 362.470 2.810 20 30 FFEDLO CC(C)Oc1cccc(CNC(=O)C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c1 ZINC000329955106 510886077 /nfs/dbraw/zinc/88/60/77/510886077.db2.gz OVYMNWPUZTYQKW-OXQOHEQNSA-N 1 2 362.470 2.810 20 30 FFEDLO CN1CCOc2ccc(NC(=O)NCCc3cn4c([nH+]3)CCCC4)cc21 ZINC000329967372 510889072 /nfs/dbraw/zinc/88/90/72/510889072.db2.gz WEIGIUZYAQOHOB-UHFFFAOYSA-N 1 2 355.442 2.617 20 30 FFEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccccc3NC(=O)c3ccsc3)C[C@H]21 ZINC000329970512 510889839 /nfs/dbraw/zinc/88/98/39/510889839.db2.gz VAVPENUHZWMLFM-SJORKVTESA-N 1 2 371.462 2.539 20 30 FFEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccccc3NC(=O)c3ccsc3)C[C@H]21 ZINC000329970512 510889846 /nfs/dbraw/zinc/88/98/46/510889846.db2.gz VAVPENUHZWMLFM-SJORKVTESA-N 1 2 371.462 2.539 20 30 FFEDLO C[C@@H](CCC1CC1)NC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000329975106 510890797 /nfs/dbraw/zinc/89/07/97/510890797.db2.gz ZOJFGTXFXPJLIT-INIZCTEOSA-N 1 2 355.486 2.945 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@@H]1CCC[C@@H]3OCC[C@H]31)C2 ZINC000329991585 510894679 /nfs/dbraw/zinc/89/46/79/510894679.db2.gz XCDYIUREPSCVFJ-JONQDZQNSA-N 1 2 360.502 2.957 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@@H]1CCC[C@@H]3OCC[C@H]31)C2 ZINC000329991585 510894684 /nfs/dbraw/zinc/89/46/84/510894684.db2.gz XCDYIUREPSCVFJ-JONQDZQNSA-N 1 2 360.502 2.957 20 30 FFEDLO CCN1CCN(C(=O)NCc2ccc(Cl)s2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329999788 510897806 /nfs/dbraw/zinc/89/78/06/510897806.db2.gz VIPMHZCSXZNGLD-LBPRGKRZSA-N 1 2 353.879 2.917 20 30 FFEDLO CCN1CCN(C(=O)N[C@H](C)[C@@H]2COc3ccccc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000329997609 510897821 /nfs/dbraw/zinc/89/78/21/510897821.db2.gz QVBOBSZRJCIFSL-PVAVHDDUSA-N 1 2 369.469 2.567 20 30 FFEDLO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)CC1(C#N)CCCCC1)C2 ZINC000330029968 510903280 /nfs/dbraw/zinc/90/32/80/510903280.db2.gz QWSAZAQMPUMLDZ-UHFFFAOYSA-N 1 2 364.515 2.705 20 30 FFEDLO C[C@@H]1CN(c2ccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)cn2)C[C@H](C)O1 ZINC000330090079 510913947 /nfs/dbraw/zinc/91/39/47/510913947.db2.gz PEKCPTHASAHIOU-QLFBSQMISA-N 1 2 355.442 2.742 20 30 FFEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C[C@@]2(CCOC2)O1 ZINC000330103697 510916279 /nfs/dbraw/zinc/91/62/79/510916279.db2.gz GNFTUYGAQOTKBR-DXCKQFNASA-N 1 2 353.850 2.981 20 30 FFEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C[C@@]2(CCOC2)O1 ZINC000330103697 510916283 /nfs/dbraw/zinc/91/62/83/510916283.db2.gz GNFTUYGAQOTKBR-DXCKQFNASA-N 1 2 353.850 2.981 20 30 FFEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330103211 510916539 /nfs/dbraw/zinc/91/65/39/510916539.db2.gz GRHPNERSAFKZTP-PJIJBLCYSA-N 1 2 362.426 2.662 20 30 FFEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330103211 510916545 /nfs/dbraw/zinc/91/65/45/510916545.db2.gz GRHPNERSAFKZTP-PJIJBLCYSA-N 1 2 362.426 2.662 20 30 FFEDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cn([C@H]2CCOC2)nn1 ZINC000330106813 510917935 /nfs/dbraw/zinc/91/79/35/510917935.db2.gz LIRIPSCKHYGSTN-INIZCTEOSA-N 1 2 370.457 2.520 20 30 FFEDLO O=C(C[N@@H+]1CCS[C@@H]2COCC[C@H]21)Nc1nc2c(s1)CCCC2 ZINC000330174912 510929939 /nfs/dbraw/zinc/92/99/39/510929939.db2.gz IRAUASZUAYWNHC-TZMCWYRMSA-N 1 2 353.513 2.816 20 30 FFEDLO O=C(C[N@H+]1CCS[C@@H]2COCC[C@H]21)Nc1nc2c(s1)CCCC2 ZINC000330174912 510929944 /nfs/dbraw/zinc/92/99/44/510929944.db2.gz IRAUASZUAYWNHC-TZMCWYRMSA-N 1 2 353.513 2.816 20 30 FFEDLO CC(C)(CNC(=O)NC[C@@H]1SCCc2ccccc21)[NH+]1CCOCC1 ZINC000330180226 510931453 /nfs/dbraw/zinc/93/14/53/510931453.db2.gz FUWLHQGEHUIPJE-KRWDZBQOSA-N 1 2 363.527 2.631 20 30 FFEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000330214550 510939403 /nfs/dbraw/zinc/93/94/03/510939403.db2.gz GFPHOUZPHMEKPB-OAHLLOKOSA-N 1 2 366.506 2.714 20 30 FFEDLO COC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000276510644 510940382 /nfs/dbraw/zinc/94/03/82/510940382.db2.gz SZIPFZNRIVSAQN-FQEVSTJZSA-N 1 2 351.450 2.910 20 30 FFEDLO O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330231395 510942730 /nfs/dbraw/zinc/94/27/30/510942730.db2.gz RBGHAOKETHXXMR-RHSMWYFYSA-N 1 2 350.488 2.558 20 30 FFEDLO C=C(C)CN1C(=O)/C(=C\c2ccc(N(C)CCOC)[nH+]c2)SC1=S ZINC000276705525 510945039 /nfs/dbraw/zinc/94/50/39/510945039.db2.gz PUOQKSGGERAAAB-NTEUORMPSA-N 1 2 363.508 2.942 20 30 FFEDLO CCOc1cc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)ccc1O ZINC000297478001 510960717 /nfs/dbraw/zinc/96/07/17/510960717.db2.gz RVRXZKUVWWFSPR-UHFFFAOYSA-N 1 2 358.467 2.750 20 30 FFEDLO CC1CCN(c2ccc(CNC(=O)c3cc4n(n3)CCCO4)c[nH+]2)CC1 ZINC000330312591 510962567 /nfs/dbraw/zinc/96/25/67/510962567.db2.gz WOWDNDJPNSPMAU-UHFFFAOYSA-N 1 2 355.442 2.802 20 30 FFEDLO CC[C@]1(O)CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000330325924 510964761 /nfs/dbraw/zinc/96/47/61/510964761.db2.gz UXGORTDTVFONIJ-GUYCJALGSA-N 1 2 352.504 2.767 20 30 FFEDLO CC[C@]1(O)CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000330325924 510964763 /nfs/dbraw/zinc/96/47/63/510964763.db2.gz UXGORTDTVFONIJ-GUYCJALGSA-N 1 2 352.504 2.767 20 30 FFEDLO CO[C@@H](C)c1cccc(NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c1 ZINC000330354728 510972535 /nfs/dbraw/zinc/97/25/35/510972535.db2.gz PTBWWEKAAQEQEI-YOEHRIQHSA-N 1 2 357.458 2.662 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)CCC(=O)N3)CCO1 ZINC000330356044 510972682 /nfs/dbraw/zinc/97/26/82/510972682.db2.gz RFQYDJQFJPZOSR-YOEHRIQHSA-N 1 2 369.425 2.551 20 30 FFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC000331353357 511064215 /nfs/dbraw/zinc/06/42/15/511064215.db2.gz OXRFFAAMNXSNSF-CMPLNLGQSA-N 1 2 369.206 2.512 20 30 FFEDLO C=CCc1cc(C[N@@H+]2CCN(C(=O)N(C)C)CC2(C)C)cc(OC)c1O ZINC000330918835 511028483 /nfs/dbraw/zinc/02/84/83/511028483.db2.gz XRUBJKQSXMJZSO-UHFFFAOYSA-N 1 2 361.486 2.707 20 30 FFEDLO C=CCc1cc(C[N@H+]2CCN(C(=O)N(C)C)CC2(C)C)cc(OC)c1O ZINC000330918835 511028488 /nfs/dbraw/zinc/02/84/88/511028488.db2.gz XRUBJKQSXMJZSO-UHFFFAOYSA-N 1 2 361.486 2.707 20 30 FFEDLO C=CCn1c(CCC(C)C)nnc1N1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000282587427 511036904 /nfs/dbraw/zinc/03/69/04/511036904.db2.gz LQXGBVAGMCHABW-UHFFFAOYSA-N 1 2 372.517 2.980 20 30 FFEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)CC1 ZINC000331118295 511043589 /nfs/dbraw/zinc/04/35/89/511043589.db2.gz LMPSKVYDBZEPPD-LBPRGKRZSA-N 1 2 364.412 2.953 20 30 FFEDLO C=CCc1ccc(OCC(=O)N2CCC(n3cc[nH+]c3)CC2)c(OC)c1 ZINC000361441140 511050708 /nfs/dbraw/zinc/05/07/08/511050708.db2.gz MLVVIWYPHCNOSA-UHFFFAOYSA-N 1 2 355.438 2.863 20 30 FFEDLO COCc1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)no1 ZINC000297760641 511059948 /nfs/dbraw/zinc/05/99/48/511059948.db2.gz LOZVCWRNKSLQNF-UHFFFAOYSA-N 1 2 354.410 2.543 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)[C@@]2(C#N)CC23CCCC3)[NH+]2CCOCC2)c1 ZINC000294432897 511063455 /nfs/dbraw/zinc/06/34/55/511063455.db2.gz KGGNUSUWKNGNFZ-UGKGYDQZSA-N 1 2 367.493 2.959 20 30 FFEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000297773523 511064328 /nfs/dbraw/zinc/06/43/28/511064328.db2.gz GGIFLTVUQCPGMO-OLZOCXBDSA-N 1 2 369.918 2.502 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000297773523 511064332 /nfs/dbraw/zinc/06/43/32/511064332.db2.gz GGIFLTVUQCPGMO-OLZOCXBDSA-N 1 2 369.918 2.502 20 30 FFEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000297835228 511083573 /nfs/dbraw/zinc/08/35/73/511083573.db2.gz KDSCXXXOJPXQOU-LBPRGKRZSA-N 1 2 369.918 2.502 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000297835228 511083576 /nfs/dbraw/zinc/08/35/76/511083576.db2.gz KDSCXXXOJPXQOU-LBPRGKRZSA-N 1 2 369.918 2.502 20 30 FFEDLO C=CCOc1ccc(C[N@@H+](CCOC)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000290379375 511135198 /nfs/dbraw/zinc/13/51/98/511135198.db2.gz HYZYUKPHZFMFDJ-OAHLLOKOSA-N 1 2 373.902 2.540 20 30 FFEDLO C=CCOc1ccc(C[N@H+](CCOC)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000290379375 511135201 /nfs/dbraw/zinc/13/52/01/511135201.db2.gz HYZYUKPHZFMFDJ-OAHLLOKOSA-N 1 2 373.902 2.540 20 30 FFEDLO CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1C#N ZINC000364896235 511139437 /nfs/dbraw/zinc/13/94/37/511139437.db2.gz PEPIMRCVWCHIQK-GFCCVEGCSA-N 1 2 353.382 2.524 20 30 FFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000282945379 511171837 /nfs/dbraw/zinc/17/18/37/511171837.db2.gz HEVQGILVDLFFDL-SNVBAGLBSA-N 1 2 353.304 2.864 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N[C@H](C)c2ccccc2OC)n1 ZINC000279726953 511191166 /nfs/dbraw/zinc/19/11/66/511191166.db2.gz MQKUYQRWGITLCW-SJORKVTESA-N 1 2 368.481 2.613 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N[C@H](C)c2ccccc2OC)n1 ZINC000279726953 511191170 /nfs/dbraw/zinc/19/11/70/511191170.db2.gz MQKUYQRWGITLCW-SJORKVTESA-N 1 2 368.481 2.613 20 30 FFEDLO COC(=O)C(C)(C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000298293319 511237987 /nfs/dbraw/zinc/23/79/87/511237987.db2.gz XTAFNAIIGKDYEI-LLVKDONJSA-N 1 2 363.483 2.614 20 30 FFEDLO COC(=O)c1oc([C@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1C ZINC000271642371 511272820 /nfs/dbraw/zinc/27/28/20/511272820.db2.gz RQKQKEHILRHUHS-AWEZNQCLSA-N 1 2 354.410 2.525 20 30 FFEDLO Cc1nc(NCc2ccccc2OCC[NH+]2CCOCC2)ccc1C#N ZINC000291662615 511286897 /nfs/dbraw/zinc/28/68/97/511286897.db2.gz OZWJRLGFFMEIRR-UHFFFAOYSA-N 1 2 352.438 2.585 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cnc(Br)s3)C2)nc1 ZINC000295154939 511301584 /nfs/dbraw/zinc/30/15/84/511301584.db2.gz CHZUBVWZFXKQIF-LLVKDONJSA-N 1 2 365.256 2.826 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cnc(Br)s3)C2)nc1 ZINC000295154939 511301588 /nfs/dbraw/zinc/30/15/88/511301588.db2.gz CHZUBVWZFXKQIF-LLVKDONJSA-N 1 2 365.256 2.826 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291708547 511305633 /nfs/dbraw/zinc/30/56/33/511305633.db2.gz ILRTXLSGHLDBOM-FQEVSTJZSA-N 1 2 369.490 2.875 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291708547 511305637 /nfs/dbraw/zinc/30/56/37/511305637.db2.gz ILRTXLSGHLDBOM-FQEVSTJZSA-N 1 2 369.490 2.875 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c(C#N)c1C ZINC000291891902 511379588 /nfs/dbraw/zinc/37/95/88/511379588.db2.gz QTKIWNVEXYBNJD-HXUWFJFHSA-N 1 2 369.490 2.811 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c(C#N)c1C ZINC000291891902 511379592 /nfs/dbraw/zinc/37/95/92/511379592.db2.gz QTKIWNVEXYBNJD-HXUWFJFHSA-N 1 2 369.490 2.811 20 30 FFEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000295434908 511404221 /nfs/dbraw/zinc/40/42/21/511404221.db2.gz OYKWOXFXOQSPQB-SMDDNHRTSA-N 1 2 368.275 2.744 20 30 FFEDLO Cc1cc(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)nn1CCC#N ZINC000272054844 511415391 /nfs/dbraw/zinc/41/53/91/511415391.db2.gz HYURUEXGXDDHFH-UHFFFAOYSA-N 1 2 370.432 2.594 20 30 FFEDLO N#Cc1ccc(SCC(=O)Nc2nc(C[NH+]3CCCC3)cs2)nc1 ZINC000298807948 511416947 /nfs/dbraw/zinc/41/69/47/511416947.db2.gz XYMFWHOQRQADDL-UHFFFAOYSA-N 1 2 359.480 2.736 20 30 FFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(CCC#N)Cc1cccnc1)C2 ZINC000365400669 511426915 /nfs/dbraw/zinc/42/69/15/511426915.db2.gz BLGVVUPJKOBISW-INIZCTEOSA-N 1 2 351.454 2.975 20 30 FFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(CCC#N)Cc1cccnc1)CC2 ZINC000365400669 511426918 /nfs/dbraw/zinc/42/69/18/511426918.db2.gz BLGVVUPJKOBISW-INIZCTEOSA-N 1 2 351.454 2.975 20 30 FFEDLO CC1(C#N)CC[NH+](CC(=O)N2c3ccccc3NC(=O)C23CCCC3)CC1 ZINC000272507880 511497642 /nfs/dbraw/zinc/49/76/42/511497642.db2.gz FOUCTTHVAJJVCU-UHFFFAOYSA-N 1 2 366.465 2.910 20 30 FFEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cc(C#N)oc3C)CC2)c1 ZINC000280530456 511500850 /nfs/dbraw/zinc/50/08/50/511500850.db2.gz BUYPONINGLJDCU-CQSZACIVSA-N 1 2 353.422 2.987 20 30 FFEDLO N#CCCN(C(=O)C[NH2+][C@@H](CO)c1c(F)cccc1F)c1ccccc1 ZINC000272975482 511514085 /nfs/dbraw/zinc/51/40/85/511514085.db2.gz CWUZGOYZHMPODQ-KRWDZBQOSA-N 1 2 359.376 2.535 20 30 FFEDLO CCCC[C@@H](ON=C(C)C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000273410931 511524248 /nfs/dbraw/zinc/52/42/48/511524248.db2.gz HVFDNJVMUKZNTF-QGZVFWFLSA-N 1 2 362.474 2.506 20 30 FFEDLO C=CCCCCCN(C)C(=O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000283875443 511529531 /nfs/dbraw/zinc/52/95/31/511529531.db2.gz CNCYQMRKLUMOKS-UHFFFAOYSA-N 1 2 372.513 2.893 20 30 FFEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000299172499 511539847 /nfs/dbraw/zinc/53/98/47/511539847.db2.gz TVLPSWNHLMVPII-QWHCGFSZSA-N 1 2 352.276 2.887 20 30 FFEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000299172499 511539851 /nfs/dbraw/zinc/53/98/51/511539851.db2.gz TVLPSWNHLMVPII-QWHCGFSZSA-N 1 2 352.276 2.887 20 30 FFEDLO Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)c1 ZINC000292300493 511543404 /nfs/dbraw/zinc/54/34/04/511543404.db2.gz UTYKFAOJSKRENN-GOSISDBHSA-N 1 2 364.449 2.970 20 30 FFEDLO Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)c1 ZINC000292300493 511543408 /nfs/dbraw/zinc/54/34/08/511543408.db2.gz UTYKFAOJSKRENN-GOSISDBHSA-N 1 2 364.449 2.970 20 30 FFEDLO C=CCOc1cccc(NC(=O)C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c1 ZINC000295959689 511569116 /nfs/dbraw/zinc/56/91/16/511569116.db2.gz BRJOVIAGJZKLFT-MRXNPFEDSA-N 1 2 368.437 2.533 20 30 FFEDLO C=CCCO[C@H](C)C(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000299325893 511593615 /nfs/dbraw/zinc/59/36/15/511593615.db2.gz WLPGBWBXTZPITC-OAHLLOKOSA-N 1 2 364.490 2.778 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)CC1 ZINC000299344555 511600385 /nfs/dbraw/zinc/60/03/85/511600385.db2.gz SNYAECNYPWZFPF-UHFFFAOYSA-N 1 2 350.418 2.930 20 30 FFEDLO C=C(C)Cn1c(SCC[N@@H+]2CCO[C@@H](C)C2)nnc1-c1ccncc1 ZINC000284210197 511642191 /nfs/dbraw/zinc/64/21/91/511642191.db2.gz LREQYZUGWLULCN-HNNXBMFYSA-N 1 2 359.499 2.729 20 30 FFEDLO C=C(C)Cn1c(SCC[N@H+]2CCO[C@@H](C)C2)nnc1-c1ccncc1 ZINC000284210197 511642197 /nfs/dbraw/zinc/64/21/97/511642197.db2.gz LREQYZUGWLULCN-HNNXBMFYSA-N 1 2 359.499 2.729 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(C#N)cc(N(C)C)c2)c1C ZINC000292700270 511690994 /nfs/dbraw/zinc/69/09/94/511690994.db2.gz NQBCAZVGJGDORY-UHFFFAOYSA-N 1 2 352.438 2.917 20 30 FFEDLO Cc1cc(Br)cn2cc(CNC(=O)N(C)C[C@H](C)C#N)[nH+]c12 ZINC000274246364 511766234 /nfs/dbraw/zinc/76/62/34/511766234.db2.gz SENTXYCIMDVNKV-SNVBAGLBSA-N 1 2 364.247 2.706 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1Cl ZINC000296544574 511790941 /nfs/dbraw/zinc/79/09/41/511790941.db2.gz OEHJZXMDZPFXOU-UHFFFAOYSA-N 1 2 370.840 2.715 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nn(-c3ccccc3)c3c2CCC3)C1=O ZINC000281299202 511795432 /nfs/dbraw/zinc/79/54/32/511795432.db2.gz JVOSZMNUYXYDNQ-HXUWFJFHSA-N 1 2 350.466 2.580 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nn(-c3ccccc3)c3c2CCC3)C1=O ZINC000281299202 511795433 /nfs/dbraw/zinc/79/54/33/511795433.db2.gz JVOSZMNUYXYDNQ-HXUWFJFHSA-N 1 2 350.466 2.580 20 30 FFEDLO C=CCCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1[nH+]ccn1C ZINC000284648865 511807978 /nfs/dbraw/zinc/80/79/78/511807978.db2.gz WBVGAZZFDRNCAS-HNNXBMFYSA-N 1 2 362.474 2.897 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)C1=O ZINC000281412239 511838788 /nfs/dbraw/zinc/83/87/88/511838788.db2.gz RFBDDQKPKRNPFP-INMHGKMJSA-N 1 2 369.465 2.717 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)C1=O ZINC000281412239 511838792 /nfs/dbraw/zinc/83/87/92/511838792.db2.gz RFBDDQKPKRNPFP-INMHGKMJSA-N 1 2 369.465 2.717 20 30 FFEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000293123285 511848465 /nfs/dbraw/zinc/84/84/65/511848465.db2.gz PKGCMROVOGBLPK-STQMWFEESA-N 1 2 373.931 2.790 20 30 FFEDLO N#C[C@H]1CC[C@H]([N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000293123285 511848467 /nfs/dbraw/zinc/84/84/67/511848467.db2.gz PKGCMROVOGBLPK-STQMWFEESA-N 1 2 373.931 2.790 20 30 FFEDLO C[C@H]1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)[C@@H]1CO ZINC000328618607 511894668 /nfs/dbraw/zinc/89/46/68/511894668.db2.gz VGBMSCBWSMJPSH-VNHYZAJKSA-N 1 2 352.504 2.623 20 30 FFEDLO C[C@H]1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)[C@@H]1CO ZINC000328618607 511894671 /nfs/dbraw/zinc/89/46/71/511894671.db2.gz VGBMSCBWSMJPSH-VNHYZAJKSA-N 1 2 352.504 2.623 20 30 FFEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3ncc(C#N)cc3Cl)CC2)no1 ZINC000328624281 511896872 /nfs/dbraw/zinc/89/68/72/511896872.db2.gz CJWHCDACTRNEFU-CQSZACIVSA-N 1 2 360.849 2.789 20 30 FFEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3ncc(C#N)cc3Cl)CC2)no1 ZINC000328624281 511896877 /nfs/dbraw/zinc/89/68/77/511896877.db2.gz CJWHCDACTRNEFU-CQSZACIVSA-N 1 2 360.849 2.789 20 30 FFEDLO CCn1nc(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)c(=O)c2ccccc21 ZINC000328651867 511908040 /nfs/dbraw/zinc/90/80/40/511908040.db2.gz KBGNZXHXEGEVSR-AWEZNQCLSA-N 1 2 365.437 2.804 20 30 FFEDLO CC[C@H](CNC(=O)[C@@H]1CCCCS1(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC000328944674 511954164 /nfs/dbraw/zinc/95/41/64/511954164.db2.gz UVRITQHRSKYQQY-MSOLQXFVSA-N 1 2 364.511 2.747 20 30 FFEDLO CC[C@H](CNC(=O)[C@@H]1CCCCS1(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC000328944674 511954168 /nfs/dbraw/zinc/95/41/68/511954168.db2.gz UVRITQHRSKYQQY-MSOLQXFVSA-N 1 2 364.511 2.747 20 30 FFEDLO CCc1ccc(CNC(=O)C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)s1 ZINC000328957022 511956122 /nfs/dbraw/zinc/95/61/22/511956122.db2.gz JIMPGMBFNSDSMC-BBWFWOEESA-N 1 2 352.500 2.629 20 30 FFEDLO CCc1ccc(CNC(=O)C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)s1 ZINC000328957022 511956129 /nfs/dbraw/zinc/95/61/29/511956129.db2.gz JIMPGMBFNSDSMC-BBWFWOEESA-N 1 2 352.500 2.629 20 30 FFEDLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)N[C@H](c1ccccc1)C1CC1 ZINC000328960811 511956972 /nfs/dbraw/zinc/95/69/72/511956972.db2.gz KLCYIYREURNPHA-YOUFYPILSA-N 1 2 358.482 2.956 20 30 FFEDLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)N[C@H](c1ccccc1)C1CC1 ZINC000328960811 511956979 /nfs/dbraw/zinc/95/69/79/511956979.db2.gz KLCYIYREURNPHA-YOUFYPILSA-N 1 2 358.482 2.956 20 30 FFEDLO Cc1cn2nc(N3CC[NH+]([C@@H](C)C(=O)NC4CCCC4)CC3)sc2n1 ZINC000329032425 511971202 /nfs/dbraw/zinc/97/12/02/511971202.db2.gz XNGVVROFFXLOML-ZDUSSCGKSA-N 1 2 362.503 2.509 20 30 FFEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(C(=O)CCc2nccs2)CC1 ZINC000329038498 511972160 /nfs/dbraw/zinc/97/21/60/511972160.db2.gz ZNXAESQKCLAKJU-CQSZACIVSA-N 1 2 364.515 2.508 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cc(Br)ccn2)C1 ZINC000329065452 511976641 /nfs/dbraw/zinc/97/66/41/511976641.db2.gz WDLHXPQAACRKRJ-SNVBAGLBSA-N 1 2 350.220 2.613 20 30 FFEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366392639 511998031 /nfs/dbraw/zinc/99/80/31/511998031.db2.gz AJEUAIGQQMMMNA-DZGCQCFKSA-N 1 2 361.405 2.816 20 30 FFEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366392639 511998035 /nfs/dbraw/zinc/99/80/35/511998035.db2.gz AJEUAIGQQMMMNA-DZGCQCFKSA-N 1 2 361.405 2.816 20 30 FFEDLO COc1cc[nH+]cc1CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000297077905 512010532 /nfs/dbraw/zinc/01/05/32/512010532.db2.gz UNEBAHKUDNUTAP-UHFFFAOYSA-N 1 2 372.450 2.576 20 30 FFEDLO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000329347961 512030749 /nfs/dbraw/zinc/03/07/49/512030749.db2.gz CPZRXSXOCWFHRH-SOLBZPMBSA-N 1 2 365.518 2.623 20 30 FFEDLO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000329396396 512039349 /nfs/dbraw/zinc/03/93/49/512039349.db2.gz WBPKZPPUXPXWNJ-FZKQIMNGSA-N 1 2 358.446 2.846 20 30 FFEDLO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000329396396 512039355 /nfs/dbraw/zinc/03/93/55/512039355.db2.gz WBPKZPPUXPXWNJ-FZKQIMNGSA-N 1 2 358.446 2.846 20 30 FFEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1)NCC1(c2ccccc2)CCCC1 ZINC000329410841 512042224 /nfs/dbraw/zinc/04/22/24/512042224.db2.gz DCBPJRDIRIJKKP-MRXNPFEDSA-N 1 2 370.453 2.531 20 30 FFEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1)NCC1(c2ccccc2)CCCC1 ZINC000329410841 512042228 /nfs/dbraw/zinc/04/22/28/512042228.db2.gz DCBPJRDIRIJKKP-MRXNPFEDSA-N 1 2 370.453 2.531 20 30 FFEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329465361 512051940 /nfs/dbraw/zinc/05/19/40/512051940.db2.gz VAIFQONWPPSAIF-ZIAGYGMSSA-N 1 2 367.877 2.650 20 30 FFEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329465361 512051945 /nfs/dbraw/zinc/05/19/45/512051945.db2.gz VAIFQONWPPSAIF-ZIAGYGMSSA-N 1 2 367.877 2.650 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000285260651 512056757 /nfs/dbraw/zinc/05/67/57/512056757.db2.gz HWAAHGNIMXGKMM-INIZCTEOSA-N 1 2 351.244 2.702 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000285260651 512056762 /nfs/dbraw/zinc/05/67/62/512056762.db2.gz HWAAHGNIMXGKMM-INIZCTEOSA-N 1 2 351.244 2.702 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCOCC3(CCC3)C1)C2 ZINC000329499687 512058058 /nfs/dbraw/zinc/05/80/58/512058058.db2.gz HDMZRPLAWVMWNM-HNNXBMFYSA-N 1 2 360.502 2.912 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(O)c3)CC2)cc1 ZINC000411133009 512483599 /nfs/dbraw/zinc/48/35/99/512483599.db2.gz ZHRZQUSCSFKGRZ-LEWJYISDSA-N 1 2 361.445 2.712 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000371767896 512564584 /nfs/dbraw/zinc/56/45/84/512564584.db2.gz VMODMVIZFHBNPP-OAHLLOKOSA-N 1 2 369.425 2.718 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)N=c1cc(C)n(CCC#N)[nH]1 ZINC000373930847 512576278 /nfs/dbraw/zinc/57/62/78/512576278.db2.gz BKYHARGBXPWIGD-OAHLLOKOSA-N 1 2 355.446 2.503 20 30 FFEDLO CCC(CC)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)C(=O)OC ZINC000411544987 512682989 /nfs/dbraw/zinc/68/29/89/512682989.db2.gz WGHDUSMADOLMJY-UHFFFAOYSA-N 1 2 363.483 2.758 20 30 FFEDLO N#CC1(NC(=O)c2cccc3nc[nH]c32)CC[NH+](Cc2ccccc2)CC1 ZINC000376181733 512697731 /nfs/dbraw/zinc/69/77/31/512697731.db2.gz OPDPJTGBPDTKMX-UHFFFAOYSA-N 1 2 359.433 2.851 20 30 FFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1ccc(Cl)cc1 ZINC000367874785 512701210 /nfs/dbraw/zinc/70/12/10/512701210.db2.gz PYHSXRMQGBIWLG-HOCLYGCPSA-N 1 2 365.842 2.528 20 30 FFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1ccc(Cl)cc1 ZINC000367874785 512701211 /nfs/dbraw/zinc/70/12/11/512701211.db2.gz PYHSXRMQGBIWLG-HOCLYGCPSA-N 1 2 365.842 2.528 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c(C#N)c1C ZINC000370206576 512821143 /nfs/dbraw/zinc/82/11/43/512821143.db2.gz OGHMGVJGMFZWCI-HNNXBMFYSA-N 1 2 374.510 2.652 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c(C#N)c1C ZINC000370206576 512821148 /nfs/dbraw/zinc/82/11/48/512821148.db2.gz OGHMGVJGMFZWCI-HNNXBMFYSA-N 1 2 374.510 2.652 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](O)C2)c1C#N ZINC000412033035 512921273 /nfs/dbraw/zinc/92/12/73/512921273.db2.gz IEPFXEVYKUTMRZ-DYVFJYSZSA-N 1 2 358.486 2.733 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@H](C)C[C@H](O)C2)c1C#N ZINC000412033035 512921275 /nfs/dbraw/zinc/92/12/75/512921275.db2.gz IEPFXEVYKUTMRZ-DYVFJYSZSA-N 1 2 358.486 2.733 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)nc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374661999 512942810 /nfs/dbraw/zinc/94/28/10/512942810.db2.gz JTYHZUUEZQWJFZ-SJLPKXTDSA-N 1 2 374.366 2.936 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)nc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374661999 512942813 /nfs/dbraw/zinc/94/28/13/512942813.db2.gz JTYHZUUEZQWJFZ-SJLPKXTDSA-N 1 2 374.366 2.936 20 30 FFEDLO C[C@@H]1[C@H](CO)CCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000412092450 512955699 /nfs/dbraw/zinc/95/56/99/512955699.db2.gz RBVGGBWBQZYHKE-KGLIPLIRSA-N 1 2 361.511 2.920 20 30 FFEDLO C[C@@H]1[C@H](CO)CCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000412092450 512955707 /nfs/dbraw/zinc/95/57/07/512955707.db2.gz RBVGGBWBQZYHKE-KGLIPLIRSA-N 1 2 361.511 2.920 20 30 FFEDLO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000412092455 512956203 /nfs/dbraw/zinc/95/62/03/512956203.db2.gz RBVGGBWBQZYHKE-ZIAGYGMSSA-N 1 2 361.511 2.920 20 30 FFEDLO C[C@@H]1[C@@H](CO)CCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000412092455 512956208 /nfs/dbraw/zinc/95/62/08/512956208.db2.gz RBVGGBWBQZYHKE-ZIAGYGMSSA-N 1 2 361.511 2.920 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000376812903 512997456 /nfs/dbraw/zinc/99/74/56/512997456.db2.gz TYPLBUSMZVZGCK-FUHWJXTLSA-N 1 2 359.470 2.968 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000374859172 513041844 /nfs/dbraw/zinc/04/18/44/513041844.db2.gz SMNOXPHMVBSEJV-IBGZPJMESA-N 1 2 373.815 2.883 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000374859172 513041848 /nfs/dbraw/zinc/04/18/48/513041848.db2.gz SMNOXPHMVBSEJV-IBGZPJMESA-N 1 2 373.815 2.883 20 30 FFEDLO CC(C)(CCC#N)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000370668362 513043721 /nfs/dbraw/zinc/04/37/21/513043721.db2.gz VPPVGPNFDJIQOL-GOSISDBHSA-N 1 2 358.486 2.517 20 30 FFEDLO CC(C)(CCC#N)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000370668362 513043724 /nfs/dbraw/zinc/04/37/24/513043724.db2.gz VPPVGPNFDJIQOL-GOSISDBHSA-N 1 2 358.486 2.517 20 30 FFEDLO Cc1ccn2cc(CNC(=O)c3ccn(-c4cccc(C#N)c4)n3)[nH+]c2c1 ZINC000409492375 513113397 /nfs/dbraw/zinc/11/33/97/513113397.db2.gz DGZBQQYFZRGKHF-UHFFFAOYSA-N 1 2 356.389 2.630 20 30 FFEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000450318923 513140542 /nfs/dbraw/zinc/14/05/42/513140542.db2.gz XLGMJPAYIFCFCW-AWEZNQCLSA-N 1 2 360.889 2.781 20 30 FFEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000450319048 513140646 /nfs/dbraw/zinc/14/06/46/513140646.db2.gz KUZNPGNLUUPQTD-ZWKOTPCHSA-N 1 2 372.856 2.650 20 30 FFEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000450319048 513140650 /nfs/dbraw/zinc/14/06/50/513140650.db2.gz KUZNPGNLUUPQTD-ZWKOTPCHSA-N 1 2 372.856 2.650 20 30 FFEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000450318925 513140663 /nfs/dbraw/zinc/14/06/63/513140663.db2.gz XLGMJPAYIFCFCW-CQSZACIVSA-N 1 2 360.889 2.781 20 30 FFEDLO C=CC[N@@H+](Cc1cc(Br)ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000450564242 513253681 /nfs/dbraw/zinc/25/36/81/513253681.db2.gz UXFFUJIJYKLNDS-OAHLLOKOSA-N 1 2 358.301 2.933 20 30 FFEDLO C=CC[N@H+](Cc1cc(Br)ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000450564242 513253684 /nfs/dbraw/zinc/25/36/84/513253684.db2.gz UXFFUJIJYKLNDS-OAHLLOKOSA-N 1 2 358.301 2.933 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(c2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000425232443 513464819 /nfs/dbraw/zinc/46/48/19/513464819.db2.gz VJXDQVYYIMZJSN-UHFFFAOYSA-N 1 2 352.394 2.797 20 30 FFEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3ncc4c(c3C#N)CCC4)CC2)no1 ZINC000425256910 513477584 /nfs/dbraw/zinc/47/75/84/513477584.db2.gz PQQVRISMKYLQMT-MRXNPFEDSA-N 1 2 366.469 2.624 20 30 FFEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3ncc4c(c3C#N)CCC4)CC2)no1 ZINC000425256910 513477589 /nfs/dbraw/zinc/47/75/89/513477589.db2.gz PQQVRISMKYLQMT-MRXNPFEDSA-N 1 2 366.469 2.624 20 30 FFEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447856540 513602972 /nfs/dbraw/zinc/60/29/72/513602972.db2.gz RKBNOMJOQSYENG-ZWKOTPCHSA-N 1 2 369.465 2.860 20 30 FFEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447856540 513602980 /nfs/dbraw/zinc/60/29/80/513602980.db2.gz RKBNOMJOQSYENG-ZWKOTPCHSA-N 1 2 369.465 2.860 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451253679 513625270 /nfs/dbraw/zinc/62/52/70/513625270.db2.gz APLUMAUFOGDHCV-MMOPVJDHSA-N 1 2 373.472 2.518 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451253679 513625276 /nfs/dbraw/zinc/62/52/76/513625276.db2.gz APLUMAUFOGDHCV-MMOPVJDHSA-N 1 2 373.472 2.518 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000425567395 513644175 /nfs/dbraw/zinc/64/41/75/513644175.db2.gz SJSHWNOHMFEHJN-YJBOKZPZSA-N 1 2 363.527 2.729 20 30 FFEDLO C=CCC[C@@H](NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000435765256 513679730 /nfs/dbraw/zinc/67/97/30/513679730.db2.gz SFBFMHSPFVEPRI-HXUWFJFHSA-N 1 2 367.497 2.955 20 30 FFEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000418936401 513695405 /nfs/dbraw/zinc/69/54/05/513695405.db2.gz BTYGDFWAASRPBY-NRFANRHFSA-N 1 2 370.497 2.732 20 30 FFEDLO N#CC1CCC(CNC(=O)NCCNc2ccc3ccccc3[nH+]2)CC1 ZINC000442729938 513759414 /nfs/dbraw/zinc/75/94/14/513759414.db2.gz PGQSONLTZYKNMO-UHFFFAOYSA-N 1 2 351.454 2.698 20 30 FFEDLO Cc1cccc2c1C[C@@H](C(=O)N1CC[NH+](Cc3ccc(C#N)cc3)CC1)O2 ZINC000448576564 513789130 /nfs/dbraw/zinc/78/91/30/513789130.db2.gz BTKYRNLXCGXLKR-NRFANRHFSA-N 1 2 361.445 2.515 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422547981 513841914 /nfs/dbraw/zinc/84/19/14/513841914.db2.gz YCZNTPLTMWRCCJ-IBGZPJMESA-N 1 2 351.450 2.618 20 30 FFEDLO Cc1cc(CNC(=O)C(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc(C)[nH+]1 ZINC000422589929 513859787 /nfs/dbraw/zinc/85/97/87/513859787.db2.gz MUGAEKOCEPFVSX-UHFFFAOYSA-N 1 2 364.449 2.624 20 30 FFEDLO Cc1cc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(C#N)cc1N(C)C ZINC000436500767 513875687 /nfs/dbraw/zinc/87/56/87/513875687.db2.gz ZLXOHBFECPDKMY-MRXNPFEDSA-N 1 2 364.453 2.728 20 30 FFEDLO Cc1sc2nc(C)nc(SC[C@H](O)C[N@H+](C)CCC#N)c2c1C ZINC000414096998 513974124 /nfs/dbraw/zinc/97/41/24/513974124.db2.gz MOKRZXQHHZGMNM-CYBMUJFWSA-N 1 2 350.513 2.915 20 30 FFEDLO Cc1sc2nc(C)nc(SC[C@H](O)C[N@@H+](C)CCC#N)c2c1C ZINC000414096998 513974132 /nfs/dbraw/zinc/97/41/32/513974132.db2.gz MOKRZXQHHZGMNM-CYBMUJFWSA-N 1 2 350.513 2.915 20 30 FFEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431967431 514053329 /nfs/dbraw/zinc/05/33/29/514053329.db2.gz ZNFOGXPIBJJMDA-SFHVURJKSA-N 1 2 358.486 2.832 20 30 FFEDLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431967431 514053334 /nfs/dbraw/zinc/05/33/34/514053334.db2.gz ZNFOGXPIBJJMDA-SFHVURJKSA-N 1 2 358.486 2.832 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000443954601 514081130 /nfs/dbraw/zinc/08/11/30/514081130.db2.gz DCRGPXFHYVKGBV-UHFFFAOYSA-N 1 2 354.435 2.503 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)c3cscc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000432394985 514181570 /nfs/dbraw/zinc/18/15/70/514181570.db2.gz MMOWGNMLKDVEMF-STQMWFEESA-N 1 2 356.451 2.558 20 30 FFEDLO Cc1cc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c(C#N)cc1N(C)C ZINC000417146090 514193205 /nfs/dbraw/zinc/19/32/05/514193205.db2.gz XPNCUGHHDVCBTO-CQSZACIVSA-N 1 2 352.442 2.688 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000437645896 514203247 /nfs/dbraw/zinc/20/32/47/514203247.db2.gz LTAJSEICGIHYAK-AZUAARDMSA-N 1 2 368.481 2.754 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000432557625 514227971 /nfs/dbraw/zinc/22/79/71/514227971.db2.gz RBYPDGQFHKHQFO-UHFFFAOYSA-N 1 2 373.460 2.842 20 30 FFEDLO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000427662379 514281562 /nfs/dbraw/zinc/28/15/62/514281562.db2.gz JKHBLRJJVWRDJX-OAHLLOKOSA-N 1 2 352.438 2.956 20 30 FFEDLO C=CCn1cc(C[NH2+]Cc2cc(OC)ccc2OCc2ccccn2)nn1 ZINC000424175566 514406971 /nfs/dbraw/zinc/40/69/71/514406971.db2.gz VHHQTTUQQVTFSE-UHFFFAOYSA-N 1 2 365.437 2.737 20 30 FFEDLO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000421028861 514447087 /nfs/dbraw/zinc/44/70/87/514447087.db2.gz UWFNZSJUJUULPZ-JSGCOSHPSA-N 1 2 363.483 2.858 20 30 FFEDLO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000421028861 514447093 /nfs/dbraw/zinc/44/70/93/514447093.db2.gz UWFNZSJUJUULPZ-JSGCOSHPSA-N 1 2 363.483 2.858 20 30 FFEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(Cc3cccc(F)c3C#N)CC2)C1 ZINC000428394599 514464853 /nfs/dbraw/zinc/46/48/53/514464853.db2.gz VVRPZCZEQSEJPD-FUHWJXTLSA-N 1 2 372.488 2.510 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000455454009 514532818 /nfs/dbraw/zinc/53/28/18/514532818.db2.gz LEKROOGCWMRPQG-CQSZACIVSA-N 1 2 370.432 2.507 20 30 FFEDLO Cn1c(C#N)ccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450232572 514556415 /nfs/dbraw/zinc/55/64/15/514556415.db2.gz MHWQYUPRWKAVHH-DOTOQJQBSA-N 1 2 360.820 2.864 20 30 FFEDLO Cn1c(C#N)ccc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450232572 514556417 /nfs/dbraw/zinc/55/64/17/514556417.db2.gz MHWQYUPRWKAVHH-DOTOQJQBSA-N 1 2 360.820 2.864 20 30 FFEDLO C=CCCC1(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000475315458 514616169 /nfs/dbraw/zinc/61/61/69/514616169.db2.gz FNJKFXKWEAGLQJ-UHFFFAOYSA-N 1 2 358.482 2.760 20 30 FFEDLO N#Cc1c[nH]c(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)c1 ZINC000479647134 514671217 /nfs/dbraw/zinc/67/12/17/514671217.db2.gz COIDGYDVIUWWCB-UHFFFAOYSA-N 1 2 359.393 2.775 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000489044040 514684617 /nfs/dbraw/zinc/68/46/17/514684617.db2.gz JXFGQWNMBLSTOP-UHFFFAOYSA-N 1 2 369.465 2.520 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502555478 514692891 /nfs/dbraw/zinc/69/28/91/514692891.db2.gz QPLHXQQRWAZYDQ-WBVHZDCISA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502555478 514692899 /nfs/dbraw/zinc/69/28/99/514692899.db2.gz QPLHXQQRWAZYDQ-WBVHZDCISA-N 1 2 358.804 2.921 20 30 FFEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)C[C@@H](CC#N)c2ccccc2)no1 ZINC000475535560 514704910 /nfs/dbraw/zinc/70/49/10/514704910.db2.gz XYKQMWJDBDJVAF-OAHLLOKOSA-N 1 2 355.442 2.570 20 30 FFEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)C[C@H](CC#N)c2ccccc2)no1 ZINC000475535558 514705153 /nfs/dbraw/zinc/70/51/53/514705153.db2.gz XYKQMWJDBDJVAF-HNNXBMFYSA-N 1 2 355.442 2.570 20 30 FFEDLO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471015370 514716772 /nfs/dbraw/zinc/71/67/72/514716772.db2.gz VUIZEARMIUNHHY-CRAIPNDOSA-N 1 2 362.905 2.778 20 30 FFEDLO C=CCCCS(=O)(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000489119127 514718384 /nfs/dbraw/zinc/71/83/84/514718384.db2.gz WISDHLGENSXRQG-UHFFFAOYSA-N 1 2 370.519 2.566 20 30 FFEDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000502806330 514786644 /nfs/dbraw/zinc/78/66/44/514786644.db2.gz CQLNEANWBZURSK-AWEZNQCLSA-N 1 2 371.300 2.720 20 30 FFEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000502806330 514786651 /nfs/dbraw/zinc/78/66/51/514786651.db2.gz CQLNEANWBZURSK-AWEZNQCLSA-N 1 2 371.300 2.720 20 30 FFEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000502806331 514786694 /nfs/dbraw/zinc/78/66/94/514786694.db2.gz CQLNEANWBZURSK-CQSZACIVSA-N 1 2 371.300 2.720 20 30 FFEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000502806331 514786700 /nfs/dbraw/zinc/78/67/00/514786700.db2.gz CQLNEANWBZURSK-CQSZACIVSA-N 1 2 371.300 2.720 20 30 FFEDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000502821209 514793751 /nfs/dbraw/zinc/79/37/51/514793751.db2.gz FGDWZHAFVGJSBY-AWEZNQCLSA-N 1 2 358.410 2.559 20 30 FFEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000502821209 514793757 /nfs/dbraw/zinc/79/37/57/514793757.db2.gz FGDWZHAFVGJSBY-AWEZNQCLSA-N 1 2 358.410 2.559 20 30 FFEDLO CC(=O)c1ccc(C#N)cc1N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000480214975 514883724 /nfs/dbraw/zinc/88/37/24/514883724.db2.gz PYAVZUPDCRVJPS-KRWDZBQOSA-N 1 2 367.453 2.943 20 30 FFEDLO CC(=O)c1ccc(C#N)cc1N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000480214975 514883733 /nfs/dbraw/zinc/88/37/33/514883733.db2.gz PYAVZUPDCRVJPS-KRWDZBQOSA-N 1 2 367.453 2.943 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000485110333 514916665 /nfs/dbraw/zinc/91/66/65/514916665.db2.gz ZAROZOLEBFSWNB-UHFFFAOYSA-N 1 2 373.316 2.506 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@H+](CCO)Cc1ccc(Br)s1 ZINC000485110333 514916674 /nfs/dbraw/zinc/91/66/74/514916674.db2.gz ZAROZOLEBFSWNB-UHFFFAOYSA-N 1 2 373.316 2.506 20 30 FFEDLO N#CCSCC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000485221643 514963233 /nfs/dbraw/zinc/96/32/33/514963233.db2.gz GGXCZZJAEFGHFA-UHFFFAOYSA-N 1 2 354.439 2.518 20 30 FFEDLO COC(=O)C(C)(C)[NH+]1CCN(c2c(C#N)cnc3c(C)cc(C)cc32)CC1 ZINC000489892482 515018317 /nfs/dbraw/zinc/01/83/17/515018317.db2.gz VGSKRWRHELQYQG-UHFFFAOYSA-N 1 2 366.465 2.797 20 30 FFEDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000471827123 515024645 /nfs/dbraw/zinc/02/46/45/515024645.db2.gz YHLQNFISNSXFRB-UHFFFAOYSA-N 1 2 359.861 2.584 20 30 FFEDLO COC(=O)C(C)(C)[NH+]1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000489910446 515027495 /nfs/dbraw/zinc/02/74/95/515027495.db2.gz MRHZIHKSINOWEM-UHFFFAOYSA-N 1 2 355.360 2.651 20 30 FFEDLO N#CC1(N(C2CC2)S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CCC1 ZINC000509241432 515088904 /nfs/dbraw/zinc/08/89/04/515088904.db2.gz RNUFYBKQJVKXAV-UHFFFAOYSA-N 1 2 356.451 2.531 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000453986851 515098807 /nfs/dbraw/zinc/09/88/07/515098807.db2.gz WYWHCWAVUIUDBQ-XJKSGUPXSA-N 1 2 354.410 2.599 20 30 FFEDLO C=CCOc1ccc(CNc2cccc(C[N@@H+]3CCNC(=O)C3)c2)cc1 ZINC000462825605 515258738 /nfs/dbraw/zinc/25/87/38/515258738.db2.gz IDNNNWOQRYAQKF-UHFFFAOYSA-N 1 2 351.450 2.795 20 30 FFEDLO C=CCOc1ccc(CNc2cccc(C[N@H+]3CCNC(=O)C3)c2)cc1 ZINC000462825605 515258742 /nfs/dbraw/zinc/25/87/42/515258742.db2.gz IDNNNWOQRYAQKF-UHFFFAOYSA-N 1 2 351.450 2.795 20 30 FFEDLO Cc1nn(C)c(N2CCN(c3cc(C(C)C)[nH+]c(C(C)C)n3)CC2)c1C#N ZINC000472439649 515272136 /nfs/dbraw/zinc/27/21/36/515272136.db2.gz UXQGVMWWJMYEJZ-UHFFFAOYSA-N 1 2 367.501 2.964 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000477062916 515310632 /nfs/dbraw/zinc/31/06/32/515310632.db2.gz SSLIPRNOXHNTKQ-SUMWQHHRSA-N 1 2 353.413 2.602 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000477062916 515310638 /nfs/dbraw/zinc/31/06/38/515310638.db2.gz SSLIPRNOXHNTKQ-SUMWQHHRSA-N 1 2 353.413 2.602 20 30 FFEDLO C=CCOC[C@H](NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1)C(=O)OC ZINC000481744218 515450543 /nfs/dbraw/zinc/45/05/43/515450543.db2.gz AZHPREZJFONDDX-KRWDZBQOSA-N 1 2 370.405 2.656 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000486364620 515452306 /nfs/dbraw/zinc/45/23/06/515452306.db2.gz KRCWPFWPIXKDFO-WOJBJXKFSA-N 1 2 358.482 2.711 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000459313998 515464893 /nfs/dbraw/zinc/46/48/93/515464893.db2.gz YQKFRPVMWFDRCY-UHFFFAOYSA-N 1 2 370.434 2.922 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000499940945 515525115 /nfs/dbraw/zinc/52/51/15/515525115.db2.gz UIRNARAYKMJCPM-PZSREKOKSA-N 1 2 355.841 2.545 20 30 FFEDLO O=[N+]([O-])c1cccnc1N1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000459514309 515609159 /nfs/dbraw/zinc/60/91/59/515609159.db2.gz STMBQDIRGRIDFJ-UHFFFAOYSA-N 1 2 356.813 2.817 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000505649507 515622163 /nfs/dbraw/zinc/62/21/63/515622163.db2.gz SCDWZJVZUGUCSA-UHFFFAOYSA-N 1 2 352.438 2.873 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000505649507 515622172 /nfs/dbraw/zinc/62/21/72/515622172.db2.gz SCDWZJVZUGUCSA-UHFFFAOYSA-N 1 2 352.438 2.873 20 30 FFEDLO N#Cc1cccc(-c2cc(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)on2)c1 ZINC000469002987 515623333 /nfs/dbraw/zinc/62/33/33/515623333.db2.gz MXNMVEWBTREAJO-MRXNPFEDSA-N 1 2 359.389 2.617 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000463842347 515636824 /nfs/dbraw/zinc/63/68/24/515636824.db2.gz SEZPNNRIRVWHIW-UHFFFAOYSA-N 1 2 352.419 2.735 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)NCC#Cc1cccc(F)c1 ZINC000510831222 515683411 /nfs/dbraw/zinc/68/34/11/515683411.db2.gz CZQUBXPZWBJVPL-UHFFFAOYSA-N 1 2 350.397 2.835 20 30 FFEDLO COc1ccccc1[C@@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCC1)c1ccco1 ZINC000469250519 515741150 /nfs/dbraw/zinc/74/11/50/515741150.db2.gz MXTKPFDEVQJCNI-RDTXWAMCSA-N 1 2 353.422 2.918 20 30 FFEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000511108827 515783767 /nfs/dbraw/zinc/78/37/67/515783767.db2.gz NEWVDBSIXIFCBY-HXUWFJFHSA-N 1 2 374.916 2.575 20 30 FFEDLO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000511122525 515792250 /nfs/dbraw/zinc/79/22/50/515792250.db2.gz GYKAZIDAIYCNAU-INIZCTEOSA-N 1 2 365.886 2.905 20 30 FFEDLO C=CC[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000511122525 515792259 /nfs/dbraw/zinc/79/22/59/515792259.db2.gz GYKAZIDAIYCNAU-INIZCTEOSA-N 1 2 365.886 2.905 20 30 FFEDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Br)cn1 ZINC000482967443 515864476 /nfs/dbraw/zinc/86/44/76/515864476.db2.gz XXBUCNAKCRZDTD-BMIGLBTASA-N 1 2 359.227 2.593 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000464818895 515971853 /nfs/dbraw/zinc/97/18/53/515971853.db2.gz AADRTBVUNXNBKG-MJGOQNOKSA-N 1 2 369.465 2.941 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000464818895 515971865 /nfs/dbraw/zinc/97/18/65/515971865.db2.gz AADRTBVUNXNBKG-MJGOQNOKSA-N 1 2 369.465 2.941 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@]2(CCOC2)O1 ZINC000483186038 515972526 /nfs/dbraw/zinc/97/25/26/515972526.db2.gz OYQZIVUSGLLLJQ-RHSMWYFYSA-N 1 2 355.356 2.817 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@]2(CCOC2)O1 ZINC000483186038 515972533 /nfs/dbraw/zinc/97/25/33/515972533.db2.gz OYQZIVUSGLLLJQ-RHSMWYFYSA-N 1 2 355.356 2.817 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000483233863 515996102 /nfs/dbraw/zinc/99/61/02/515996102.db2.gz MCUHISQCZQBQOP-CZUORRHYSA-N 1 2 358.269 2.671 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1Cl ZINC000507133831 516099359 /nfs/dbraw/zinc/09/93/59/516099359.db2.gz GAQDYGOSYINIQB-OAHLLOKOSA-N 1 2 372.918 2.809 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1Cl ZINC000507133831 516099370 /nfs/dbraw/zinc/09/93/70/516099370.db2.gz GAQDYGOSYINIQB-OAHLLOKOSA-N 1 2 372.918 2.809 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507202611 516123262 /nfs/dbraw/zinc/12/32/62/516123262.db2.gz HGRXJPBRSXIFJD-BBWFWOEESA-N 1 2 372.488 2.712 20 30 FFEDLO C=CCc1cc(CNC(=O)NCc2[nH+]ccn2CC)cc(OC)c1OC ZINC000455328410 516124319 /nfs/dbraw/zinc/12/43/19/516124319.db2.gz XRAUYLRFKMQCGC-UHFFFAOYSA-N 1 2 358.442 2.648 20 30 FFEDLO C=CCOc1cccc(C[NH+]2CCN(CC(=O)N3CCCC[C@H]3C)CC2)c1 ZINC000507216221 516127423 /nfs/dbraw/zinc/12/74/23/516127423.db2.gz XTMARCXWKMMEHU-LJQANCHMSA-N 1 2 371.525 2.770 20 30 FFEDLO C=CCOc1cccc(CN2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)c1 ZINC000507216221 516127429 /nfs/dbraw/zinc/12/74/29/516127429.db2.gz XTMARCXWKMMEHU-LJQANCHMSA-N 1 2 371.525 2.770 20 30 FFEDLO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](CC4(C#N)CC4)CC3)cc2NC1=O ZINC000501549851 516150694 /nfs/dbraw/zinc/15/06/94/516150694.db2.gz PCENFIQUHZQJFS-ZDUSSCGKSA-N 1 2 353.422 2.604 20 30 FFEDLO CCOc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3C#N)CC2)cc1 ZINC000507281582 516153085 /nfs/dbraw/zinc/15/30/85/516153085.db2.gz TXBZFYKZFRUTRO-UHFFFAOYSA-N 1 2 364.449 2.718 20 30 FFEDLO CC(C)CN(CC(C)C)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507287669 516157977 /nfs/dbraw/zinc/15/79/77/516157977.db2.gz UYEAVQZWNSVNAG-UHFFFAOYSA-N 1 2 356.514 2.821 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000512230338 516204054 /nfs/dbraw/zinc/20/40/54/516204054.db2.gz VEIFRSOTJDUQQX-KRWDZBQOSA-N 1 2 371.462 2.889 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000512230338 516204061 /nfs/dbraw/zinc/20/40/61/516204061.db2.gz VEIFRSOTJDUQQX-KRWDZBQOSA-N 1 2 371.462 2.889 20 30 FFEDLO CCOC(=O)c1cnc(N2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)s1 ZINC000488400422 516213874 /nfs/dbraw/zinc/21/38/74/516213874.db2.gz SSHOSDVGHXWMKG-UHFFFAOYSA-N 1 2 370.478 2.822 20 30 FFEDLO C=CCn1cccc1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000488597591 516270407 /nfs/dbraw/zinc/27/04/07/516270407.db2.gz PRPRZKMHJOLVJA-UHFFFAOYSA-N 1 2 366.465 2.507 20 30 FFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000512505907 516297305 /nfs/dbraw/zinc/29/73/05/516297305.db2.gz DJHDCRZJRBHATC-IBGZPJMESA-N 1 2 370.501 2.771 20 30 FFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000512505907 516297308 /nfs/dbraw/zinc/29/73/08/516297308.db2.gz DJHDCRZJRBHATC-IBGZPJMESA-N 1 2 370.501 2.771 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000550630430 516359979 /nfs/dbraw/zinc/35/99/79/516359979.db2.gz GDHLIBBMAOQNEO-WMLDXEAASA-N 1 2 372.444 2.626 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+]([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528340215 516360889 /nfs/dbraw/zinc/36/08/89/516360889.db2.gz QREOZFLQDIYFKO-HXUWFJFHSA-N 1 2 370.472 2.753 20 30 FFEDLO COc1ccc([C@H](Nc2nccc(C#N)c2Cl)c2[nH+]ccn2C)cc1 ZINC000561112478 516386719 /nfs/dbraw/zinc/38/67/19/516386719.db2.gz MTXKLDJRORXJQT-INIZCTEOSA-N 1 2 353.813 2.972 20 30 FFEDLO N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)n2)c1 ZINC000557713575 516400630 /nfs/dbraw/zinc/40/06/30/516400630.db2.gz DBAUMCWHEBIVQC-UHFFFAOYSA-N 1 2 369.388 2.636 20 30 FFEDLO Cc1ccc2sc(C[N@H+]3CCN(c4nccnc4C#N)C[C@H]3C)nc2c1 ZINC000528402379 516409580 /nfs/dbraw/zinc/40/95/80/516409580.db2.gz FLLYVARILWXBII-CQSZACIVSA-N 1 2 364.478 2.977 20 30 FFEDLO Cc1ccc2sc(C[N@@H+]3CCN(c4nccnc4C#N)C[C@H]3C)nc2c1 ZINC000528402379 516409587 /nfs/dbraw/zinc/40/95/87/516409587.db2.gz FLLYVARILWXBII-CQSZACIVSA-N 1 2 364.478 2.977 20 30 FFEDLO COC(=O)c1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000540043953 516415912 /nfs/dbraw/zinc/41/59/12/516415912.db2.gz NLNUAUNSTKTZFE-AWEZNQCLSA-N 1 2 363.417 2.730 20 30 FFEDLO COC(=O)c1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000540043953 516415919 /nfs/dbraw/zinc/41/59/19/516415919.db2.gz NLNUAUNSTKTZFE-AWEZNQCLSA-N 1 2 363.417 2.730 20 30 FFEDLO C=CCOc1ccc(CNC(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000557769275 516427566 /nfs/dbraw/zinc/42/75/66/516427566.db2.gz PCAVOYBSHHVEMM-UHFFFAOYSA-N 1 2 350.422 2.941 20 30 FFEDLO N#Cc1ccc(CCC(=O)N(CC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000523411470 516463124 /nfs/dbraw/zinc/46/31/24/516463124.db2.gz ONNZELRQLYEVTF-UHFFFAOYSA-N 1 2 363.461 2.856 20 30 FFEDLO CC1(C)C[N@H+](CCNC(=O)c2ccc(C#Cc3ccccc3)cc2)CCO1 ZINC000523436515 516471140 /nfs/dbraw/zinc/47/11/40/516471140.db2.gz WXZXSWYZTLBWRE-UHFFFAOYSA-N 1 2 362.473 2.927 20 30 FFEDLO CC1(C)C[N@@H+](CCNC(=O)c2ccc(C#Cc3ccccc3)cc2)CCO1 ZINC000523436515 516471149 /nfs/dbraw/zinc/47/11/49/516471149.db2.gz WXZXSWYZTLBWRE-UHFFFAOYSA-N 1 2 362.473 2.927 20 30 FFEDLO CO[C@@H](C[NH+]1CCN(c2snc(C)c2C#N)CC1)c1ccc(F)cc1 ZINC000528509524 516490033 /nfs/dbraw/zinc/49/00/33/516490033.db2.gz QASDNTBUWCQPKN-KRWDZBQOSA-N 1 2 360.458 2.972 20 30 FFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000517909910 516490866 /nfs/dbraw/zinc/49/08/66/516490866.db2.gz RAZIUHXFGFUPSU-MSOLQXFVSA-N 1 2 372.513 2.835 20 30 FFEDLO CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)CC(=O)N1CCCCCC1 ZINC000513185408 516508736 /nfs/dbraw/zinc/50/87/36/516508736.db2.gz ZRBHVPPQTJXLFE-UHFFFAOYSA-N 1 2 370.497 2.658 20 30 FFEDLO CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)CC(=O)N1CCCCCC1 ZINC000513185408 516508741 /nfs/dbraw/zinc/50/87/41/516508741.db2.gz ZRBHVPPQTJXLFE-UHFFFAOYSA-N 1 2 370.497 2.658 20 30 FFEDLO CC1(C)C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@H]1c1cccnc1 ZINC000528559739 516531175 /nfs/dbraw/zinc/53/11/75/516531175.db2.gz AWGVJQLYCPXCFP-LJQANCHMSA-N 1 2 359.429 2.764 20 30 FFEDLO CC1(C)C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@H]1c1cccnc1 ZINC000528559739 516531183 /nfs/dbraw/zinc/53/11/83/516531183.db2.gz AWGVJQLYCPXCFP-LJQANCHMSA-N 1 2 359.429 2.764 20 30 FFEDLO Cc1cccn2cc(CC(=O)N3CCC[C@@]4(CCCCO4)[C@H]3C#N)[nH+]c12 ZINC000547744341 516535100 /nfs/dbraw/zinc/53/51/00/516535100.db2.gz MLFIEBSKDZSVMZ-XLIONFOSSA-N 1 2 352.438 2.639 20 30 FFEDLO Cc1ccc(CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000523924895 516609801 /nfs/dbraw/zinc/60/98/01/516609801.db2.gz HFGSMOUNJYNGCD-UHFFFAOYSA-N 1 2 362.477 2.937 20 30 FFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547954862 516656304 /nfs/dbraw/zinc/65/63/04/516656304.db2.gz RWQNOWMFDDPYDT-SFHVURJKSA-N 1 2 351.454 2.937 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CC3(C(F)(F)F)CC3)CC2)cc1 ZINC000558335501 516694598 /nfs/dbraw/zinc/69/45/98/516694598.db2.gz PBBHDMXHGYCLMU-UHFFFAOYSA-N 1 2 351.372 2.935 20 30 FFEDLO Cc1[nH]c2ccc(NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)cc2[nH+]1 ZINC000531930356 516721088 /nfs/dbraw/zinc/72/10/88/516721088.db2.gz WIVCWWZZBIEXEZ-UHFFFAOYSA-N 1 2 357.377 2.763 20 30 FFEDLO Cc1[nH]c2cc(NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)ccc2[nH+]1 ZINC000531930356 516721095 /nfs/dbraw/zinc/72/10/95/516721095.db2.gz WIVCWWZZBIEXEZ-UHFFFAOYSA-N 1 2 357.377 2.763 20 30 FFEDLO Cc1nc(NCc2cccc(C(=O)N(C)Cc3cccc(C#N)c3)c2)cc[nH+]1 ZINC000544506650 516787197 /nfs/dbraw/zinc/78/71/97/516787197.db2.gz FRGNSKJERCKBPJ-UHFFFAOYSA-N 1 2 371.444 2.963 20 30 FFEDLO C=CCc1cc(CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc(OC)c1OC ZINC000555165367 516813851 /nfs/dbraw/zinc/81/38/51/516813851.db2.gz RNCAJPKZIKGXMV-OAHLLOKOSA-N 1 2 370.453 2.512 20 30 FFEDLO C=CCc1cc(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc(OC)c1OC ZINC000555165367 516813859 /nfs/dbraw/zinc/81/38/59/516813859.db2.gz RNCAJPKZIKGXMV-OAHLLOKOSA-N 1 2 370.453 2.512 20 30 FFEDLO Cc1nc(SCC(=O)NCc2ccn3cc[nH+]c3c2)c(C#N)c(C)c1C ZINC000532153872 516829355 /nfs/dbraw/zinc/82/93/55/516829355.db2.gz JGNMEOFIYAFECH-UHFFFAOYSA-N 1 2 365.462 2.935 20 30 FFEDLO C=C(CC)C[NH+]1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000536882058 516962255 /nfs/dbraw/zinc/96/22/55/516962255.db2.gz NAECJCHJYPQJJO-UHFFFAOYSA-N 1 2 358.873 2.974 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3cnc(-c4ccccn4)s3)CC2)n1 ZINC000544934498 516993281 /nfs/dbraw/zinc/99/32/81/516993281.db2.gz RYKNEEVJLJDJRM-UHFFFAOYSA-N 1 2 362.462 2.794 20 30 FFEDLO COc1ccc(OC2CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000532472684 516994561 /nfs/dbraw/zinc/99/45/61/516994561.db2.gz LZXWRWPGCUZRCE-FQEVSTJZSA-N 1 2 365.433 2.637 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000514767129 517045135 /nfs/dbraw/zinc/04/51/35/517045135.db2.gz XNUAQXLAFJWJOJ-IAGOWNOFSA-N 1 2 366.527 2.777 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000514767129 517045141 /nfs/dbraw/zinc/04/51/41/517045141.db2.gz XNUAQXLAFJWJOJ-IAGOWNOFSA-N 1 2 366.527 2.777 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)cc1F ZINC000519680052 517118481 /nfs/dbraw/zinc/11/84/81/517118481.db2.gz RJGBKYHYFMLQAH-HNNXBMFYSA-N 1 2 362.430 2.830 20 30 FFEDLO N#Cc1ccc2[nH+]cc(CN3CCN(c4cccc(F)c4F)CC3)n2c1 ZINC000552242250 517157990 /nfs/dbraw/zinc/15/79/90/517157990.db2.gz GRTLCTSCKHPLDY-UHFFFAOYSA-N 1 2 353.376 2.806 20 30 FFEDLO N#Cc1ccc2ncc(C[NH+]3CCN(c4cccc(F)c4F)CC3)n2c1 ZINC000552242250 517157996 /nfs/dbraw/zinc/15/79/96/517157996.db2.gz GRTLCTSCKHPLDY-UHFFFAOYSA-N 1 2 353.376 2.806 20 30 FFEDLO C[C@H](C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1)[NH+]1CCSCC1 ZINC000533089870 517288956 /nfs/dbraw/zinc/28/89/56/517288956.db2.gz IEXNEPLJWXSEJO-RISCZKNCSA-N 1 2 373.400 2.703 20 30 FFEDLO N#CC1(CS(=O)(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CCC1 ZINC000515332423 517302251 /nfs/dbraw/zinc/30/22/51/517302251.db2.gz FSQQKUGBFLYKSH-UHFFFAOYSA-N 1 2 362.499 2.575 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C#N)cn2)[C@@H](C)C1 ZINC000548929771 517310376 /nfs/dbraw/zinc/31/03/76/517310376.db2.gz HGDYUOVEAFVYGG-INIZCTEOSA-N 1 2 364.449 2.698 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C#N)cn2)[C@@H](C)C1 ZINC000548929771 517310381 /nfs/dbraw/zinc/31/03/81/517310381.db2.gz HGDYUOVEAFVYGG-INIZCTEOSA-N 1 2 364.449 2.698 20 30 FFEDLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2ncncc2C#N)CC1 ZINC000515469164 517367158 /nfs/dbraw/zinc/36/71/58/517367158.db2.gz GHKJTQLPJWUGBK-CYBMUJFWSA-N 1 2 372.270 2.994 20 30 FFEDLO O=C(NCC#Cc1cccc(F)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000549062675 517378762 /nfs/dbraw/zinc/37/87/62/517378762.db2.gz QJJFWTFDDLANCF-UHFFFAOYSA-N 1 2 357.454 2.766 20 30 FFEDLO C=C1CC[NH+](CC(=O)Nc2cccc(I)c2)CC1 ZINC000533281023 517382298 /nfs/dbraw/zinc/38/22/98/517382298.db2.gz BJWVRMHVOLUXOU-UHFFFAOYSA-N 1 2 356.207 2.882 20 30 FFEDLO N#Cc1cccc(CC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000526953739 517407666 /nfs/dbraw/zinc/40/76/66/517407666.db2.gz FQTZFTRBMZIEPX-UHFFFAOYSA-N 1 2 353.853 2.929 20 30 FFEDLO N#Cc1cccc(CC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000526953739 517407675 /nfs/dbraw/zinc/40/76/75/517407675.db2.gz FQTZFTRBMZIEPX-UHFFFAOYSA-N 1 2 353.853 2.929 20 30 FFEDLO C[C@H]1C[C@@H](NC(=O)NCCSCc2ccccc2C#N)c2[nH+]ccn21 ZINC000556524282 517478772 /nfs/dbraw/zinc/47/87/72/517478772.db2.gz YGCAUGLVBUAENE-XJKSGUPXSA-N 1 2 355.467 2.993 20 30 FFEDLO Cc1cccn2cc(CC(=O)NC3(c4ccc(C#N)cc4)CCOCC3)[nH+]c12 ZINC000530061820 517533020 /nfs/dbraw/zinc/53/30/20/517533020.db2.gz TVNZSIDYYSGJKV-UHFFFAOYSA-N 1 2 374.444 2.879 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cnc(C#N)c(Cl)c1)C1CCOCC1 ZINC000556665950 517552236 /nfs/dbraw/zinc/55/22/36/517552236.db2.gz HIIGHIOJBRHHMM-HNNXBMFYSA-N 1 2 374.832 2.630 20 30 FFEDLO Cc1cccc(-c2noc(C[NH+]3CCN(c4cccc(C#N)n4)CC3)n2)c1 ZINC000546209651 517599486 /nfs/dbraw/zinc/59/94/86/517599486.db2.gz GUAKLYJULNUNJM-UHFFFAOYSA-N 1 2 360.421 2.634 20 30 FFEDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)o1 ZINC000542616537 517652424 /nfs/dbraw/zinc/65/24/24/517652424.db2.gz ATYYRJSHFIQJNV-NWDGAFQWSA-N 1 2 359.455 2.919 20 30 FFEDLO C=C(C)Cn1c(CC)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC000549665672 517653611 /nfs/dbraw/zinc/65/36/11/517653611.db2.gz REVHPIUEBDJOMF-UHFFFAOYSA-N 1 2 373.476 2.887 20 30 FFEDLO COC(=O)[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000538763769 517768902 /nfs/dbraw/zinc/76/89/02/517768902.db2.gz UPRQBTIQFRJHLT-GOSISDBHSA-N 1 2 373.840 2.837 20 30 FFEDLO CCN1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000530427355 517769020 /nfs/dbraw/zinc/76/90/20/517769020.db2.gz DICDRTPXLLHQFJ-LBPRGKRZSA-N 1 2 350.348 2.578 20 30 FFEDLO CN(C(=O)c1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1)c1ccccc1 ZINC000516655063 517793100 /nfs/dbraw/zinc/79/31/00/517793100.db2.gz WVFUYNRDJUBLPD-NRFANRHFSA-N 1 2 364.449 2.537 20 30 FFEDLO N#Cc1ccccc1OCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000560515204 517864504 /nfs/dbraw/zinc/86/45/04/517864504.db2.gz HFITURDQIXBEHS-QAQDUYKDSA-N 1 2 350.422 2.872 20 30 FFEDLO C=C(C)[C@@H](CC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1)OCC ZINC000534403443 517883127 /nfs/dbraw/zinc/88/31/27/517883127.db2.gz YFNXSNDJWCLMRP-VQTJNVASSA-N 1 2 360.498 2.856 20 30 FFEDLO COc1ccc([C@@H](NC(=O)Cc2cccc(C#N)c2)c2[nH+]ccn2C)cc1 ZINC000530672157 517913488 /nfs/dbraw/zinc/91/34/88/517913488.db2.gz WMYLJSWDSIAIAB-HXUWFJFHSA-N 1 2 360.417 2.749 20 30 FFEDLO COc1ccc([C@H](NC(=O)Cc2cccc(C#N)c2)c2[nH+]ccn2C)cc1 ZINC000530672156 517913703 /nfs/dbraw/zinc/91/37/03/517913703.db2.gz WMYLJSWDSIAIAB-FQEVSTJZSA-N 1 2 360.417 2.749 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000553883650 517949911 /nfs/dbraw/zinc/94/99/11/517949911.db2.gz FSTZQRMGWLPWIN-INIZCTEOSA-N 1 2 362.271 2.908 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000553883650 517949921 /nfs/dbraw/zinc/94/99/21/517949921.db2.gz FSTZQRMGWLPWIN-INIZCTEOSA-N 1 2 362.271 2.908 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000553931249 517975651 /nfs/dbraw/zinc/97/56/51/517975651.db2.gz CBOXSTAMFVMEOQ-FCEWJHQRSA-N 1 2 361.511 2.542 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000553931249 517975657 /nfs/dbraw/zinc/97/56/57/517975657.db2.gz CBOXSTAMFVMEOQ-FCEWJHQRSA-N 1 2 361.511 2.542 20 30 FFEDLO Cn1c2ccc(CNS(=O)(=O)CC3(C#N)CCCC3)cc2[nH+]c1C1CC1 ZINC000563696398 518077164 /nfs/dbraw/zinc/07/71/64/518077164.db2.gz NKNDUBBMLSRVSO-UHFFFAOYSA-N 1 2 372.494 2.954 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1Cl ZINC000522371051 518090511 /nfs/dbraw/zinc/09/05/11/518090511.db2.gz ZNFDIPQANRIPRQ-UHFFFAOYSA-N 1 2 372.837 2.876 20 30 FFEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1cccc(C(F)F)c1C#N ZINC000528130667 518110695 /nfs/dbraw/zinc/11/06/95/518110695.db2.gz NLDUREHZGJSXKR-GOSISDBHSA-N 1 2 351.397 2.524 20 30 FFEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1cccc(C(F)F)c1C#N ZINC000528130667 518110699 /nfs/dbraw/zinc/11/06/99/518110699.db2.gz NLDUREHZGJSXKR-GOSISDBHSA-N 1 2 351.397 2.524 20 30 FFEDLO COc1cc(C#N)ccc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000547418537 518130292 /nfs/dbraw/zinc/13/02/92/518130292.db2.gz YUIYTDAFDCQUPZ-UHFFFAOYSA-N 1 2 351.410 2.884 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000569660084 518223025 /nfs/dbraw/zinc/22/30/25/518223025.db2.gz JIDBKAWTUBRYPY-LJQANCHMSA-N 1 2 372.432 2.915 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000569660084 518223033 /nfs/dbraw/zinc/22/30/33/518223033.db2.gz JIDBKAWTUBRYPY-LJQANCHMSA-N 1 2 372.432 2.915 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(Oc3cncc(Cl)c3)CC2)cc1 ZINC000584299484 518271896 /nfs/dbraw/zinc/27/18/96/518271896.db2.gz LWBNJULYZBFGQH-GOSISDBHSA-N 1 2 370.840 2.676 20 30 FFEDLO N#Cc1cccc(CCNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000584428568 518337913 /nfs/dbraw/zinc/33/79/13/518337913.db2.gz DMIHBLMDGXTDTC-UHFFFAOYSA-N 1 2 373.460 2.887 20 30 FFEDLO CN(C)c1[nH]c2ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc2[nH+]1 ZINC000575971556 518367845 /nfs/dbraw/zinc/36/78/45/518367845.db2.gz ZLJFXUNJLJZWKY-LJQANCHMSA-N 1 2 371.441 2.829 20 30 FFEDLO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1noc(-c2ccccc2)n1 ZINC000569969159 518380731 /nfs/dbraw/zinc/38/07/31/518380731.db2.gz TXFVSWTVKZTZEI-PBHICJAKSA-N 1 2 364.405 2.699 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000564419034 518442240 /nfs/dbraw/zinc/44/22/40/518442240.db2.gz ZQVJGWRSCQMLCY-WDYCEAGBSA-N 1 2 354.454 2.862 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+]([C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000578972966 518461540 /nfs/dbraw/zinc/46/15/40/518461540.db2.gz LDHOLCDZYTUERZ-SFHVURJKSA-N 1 2 364.424 2.883 20 30 FFEDLO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000564556244 518501053 /nfs/dbraw/zinc/50/10/53/518501053.db2.gz PVIMTEMHCBSWMU-WFASDCNBSA-N 1 2 366.343 2.724 20 30 FFEDLO CCc1ccccc1NC(=O)C[NH+]1CCN(c2cc(C#N)cc(C)n2)CC1 ZINC000585702249 518568087 /nfs/dbraw/zinc/56/80/87/518568087.db2.gz FIGPODTVIQANHY-UHFFFAOYSA-N 1 2 363.465 2.585 20 30 FFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000564752245 518598169 /nfs/dbraw/zinc/59/81/69/518598169.db2.gz HOCJMAYEKNEEOV-UHFFFAOYSA-N 1 2 369.469 2.769 20 30 FFEDLO Cc1cc(C#N)cnc1-c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000579383462 518655844 /nfs/dbraw/zinc/65/58/44/518655844.db2.gz VJHXLHALSJQJJL-KRWDZBQOSA-N 1 2 361.405 2.885 20 30 FFEDLO Cc1cc(C#N)cnc1-c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000579383462 518655851 /nfs/dbraw/zinc/65/58/51/518655851.db2.gz VJHXLHALSJQJJL-KRWDZBQOSA-N 1 2 361.405 2.885 20 30 FFEDLO Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c12 ZINC000570573962 518674881 /nfs/dbraw/zinc/67/48/81/518674881.db2.gz WTQAPEGEJOGLOZ-FQEVSTJZSA-N 1 2 363.421 2.772 20 30 FFEDLO Cc1c[nH+]c2cc(C(=O)N3CCN(c4cccc(F)c4C#N)CC3)ccn12 ZINC000576835452 518787194 /nfs/dbraw/zinc/78/71/94/518787194.db2.gz BFVDOMXYLJSERQ-UHFFFAOYSA-N 1 2 363.396 2.616 20 30 FFEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1ccc(C#N)c(Cl)c1 ZINC000579765918 518840955 /nfs/dbraw/zinc/84/09/55/518840955.db2.gz ORUDIZZDJIHIGO-YOEHRIQHSA-N 1 2 361.852 2.994 20 30 FFEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1ccc(C#N)c(Cl)c1 ZINC000579765918 518840960 /nfs/dbraw/zinc/84/09/60/518840960.db2.gz ORUDIZZDJIHIGO-YOEHRIQHSA-N 1 2 361.852 2.994 20 30 FFEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000589160130 518933530 /nfs/dbraw/zinc/93/35/30/518933530.db2.gz XFVUSORDMNFDGD-UHFFFAOYSA-N 1 2 365.433 2.539 20 30 FFEDLO COC(=O)[C@H]([C@@H](C)O)[N@H+](Cc1ccccc1)Cc1ccc(C#N)c(C)c1 ZINC000574028965 518952198 /nfs/dbraw/zinc/95/21/98/518952198.db2.gz WAFNISSOZSSKQB-UZLBHIALSA-N 1 2 352.434 2.791 20 30 FFEDLO COC(=O)[C@H]([C@@H](C)O)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(C)c1 ZINC000574028965 518952204 /nfs/dbraw/zinc/95/22/04/518952204.db2.gz WAFNISSOZSSKQB-UZLBHIALSA-N 1 2 352.434 2.791 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1nnc(SC)s1 ZINC000571159328 518955650 /nfs/dbraw/zinc/95/56/50/518955650.db2.gz HCROTRBETWOUED-CYBMUJFWSA-N 1 2 351.497 2.518 20 30 FFEDLO N#Cc1csc(C[NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)n1 ZINC000589315061 518979606 /nfs/dbraw/zinc/97/96/06/518979606.db2.gz ZORKXQGTHMBZLL-ZDUSSCGKSA-N 1 2 366.368 2.929 20 30 FFEDLO COCCOc1ccccc1C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000574491983 519178048 /nfs/dbraw/zinc/17/80/48/519178048.db2.gz IKMYCMZHMCZQRY-UHFFFAOYSA-N 1 2 372.494 2.671 20 30 FFEDLO N#Cc1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cc1F ZINC000583410697 519231748 /nfs/dbraw/zinc/23/17/48/519231748.db2.gz BGLXIUOMHDFVJF-IBGZPJMESA-N 1 2 368.412 2.892 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000566199396 519364370 /nfs/dbraw/zinc/36/43/70/519364370.db2.gz URDGINOGEHRSQD-RDJZCZTQSA-N 1 2 357.364 2.798 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000566199396 519364377 /nfs/dbraw/zinc/36/43/77/519364377.db2.gz URDGINOGEHRSQD-RDJZCZTQSA-N 1 2 357.364 2.798 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000580985771 519461447 /nfs/dbraw/zinc/46/14/47/519461447.db2.gz XUANJEGTDADLOQ-OAHLLOKOSA-N 1 2 353.466 2.971 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000580985771 519461455 /nfs/dbraw/zinc/46/14/55/519461455.db2.gz XUANJEGTDADLOQ-OAHLLOKOSA-N 1 2 353.466 2.971 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CCCC1(C)C ZINC000572200175 519491113 /nfs/dbraw/zinc/49/11/13/519491113.db2.gz LSHLZAULTGECRM-IRXDYDNUSA-N 1 2 372.513 2.778 20 30 FFEDLO Cc1[nH+]cc(CN2CCN(c3cnccc3C#N)CC2)n1-c1ccccc1 ZINC000575114242 519508561 /nfs/dbraw/zinc/50/85/61/519508561.db2.gz KGJPMIUXFYOWLD-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO C=CC[C@H](C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1)c1ccccc1 ZINC000575129661 519516033 /nfs/dbraw/zinc/51/60/33/519516033.db2.gz XAFNHEWWDNSCPZ-ROUUACIJSA-N 1 2 353.466 2.517 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000569430142 519544246 /nfs/dbraw/zinc/54/42/46/519544246.db2.gz HGIQSAXFTVBMGK-UHFFFAOYSA-N 1 2 350.378 2.866 20 30 FFEDLO N#Cc1csc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)n1 ZINC000581223819 519583842 /nfs/dbraw/zinc/58/38/42/519583842.db2.gz VGJKWDBRGYZIGA-UHFFFAOYSA-N 1 2 360.508 2.647 20 30 FFEDLO C[C@@H]1C[N@H+]([C@H]2CCCN(c3ccccc3Cl)C2=O)C[C@H](C)N1CC#N ZINC000602855252 519927125 /nfs/dbraw/zinc/92/71/25/519927125.db2.gz GZVXYSRGQMXIRP-DAYGRLMNSA-N 1 2 360.889 2.754 20 30 FFEDLO C[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccccc3Cl)C2=O)C[C@H](C)N1CC#N ZINC000602855252 519927136 /nfs/dbraw/zinc/92/71/36/519927136.db2.gz GZVXYSRGQMXIRP-DAYGRLMNSA-N 1 2 360.889 2.754 20 30 FFEDLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866367 519937321 /nfs/dbraw/zinc/93/73/21/519937321.db2.gz VSONFSPAHIQUAN-MWDXBVQZSA-N 1 2 360.527 2.718 20 30 FFEDLO CC(C)(C#N)C[C@H](O)C[NH+]1CCC(c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000602878966 519943977 /nfs/dbraw/zinc/94/39/77/519943977.db2.gz WRVPWHFOVJPFOV-KRWDZBQOSA-N 1 2 353.470 2.952 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)CC1(C#N)CCOCC1)c1ccccc1 ZINC000597309306 519947058 /nfs/dbraw/zinc/94/70/58/519947058.db2.gz DUDLBFSMRJIXMA-QGZVFWFLSA-N 1 2 352.438 2.531 20 30 FFEDLO N#Cc1ccccc1NC1CC[NH+](Cc2nnc3n2CCCCC3)CC1 ZINC000602896474 519957718 /nfs/dbraw/zinc/95/77/18/519957718.db2.gz RIEXJWQZIWFVSD-UHFFFAOYSA-N 1 2 350.470 2.953 20 30 FFEDLO N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000594443136 519969605 /nfs/dbraw/zinc/96/96/05/519969605.db2.gz LXMIOZKSHKVLBT-HZPDHXFCSA-N 1 2 352.442 2.546 20 30 FFEDLO Cc1nn(-c2ccc(C)cc2)cc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000594596732 520044211 /nfs/dbraw/zinc/04/42/11/520044211.db2.gz ACJLELKJCZRQGN-UHFFFAOYSA-N 1 2 367.497 2.537 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccsc1Br ZINC000600104400 520049670 /nfs/dbraw/zinc/04/96/70/520049670.db2.gz IGHNXMDOXDVPRV-UHFFFAOYSA-N 1 2 358.305 2.558 20 30 FFEDLO Cc1cc(NC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)ncc1C#N ZINC000603122238 520091789 /nfs/dbraw/zinc/09/17/89/520091789.db2.gz VFBIBAVJJXTBKQ-UHFFFAOYSA-N 1 2 374.448 2.515 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000594724597 520114488 /nfs/dbraw/zinc/11/44/88/520114488.db2.gz XKVKRPHBMLLGNO-GFCCVEGCSA-N 1 2 374.491 2.893 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@H]3COc4ccccc4O3)CC2)c(F)c1 ZINC000608784407 520128417 /nfs/dbraw/zinc/12/84/17/520128417.db2.gz UBARCODPTSZYIJ-INIZCTEOSA-N 1 2 353.397 2.659 20 30 FFEDLO CCC[C@H]1CN(Cc2ccncc2C#N)CC[N@@H+]1Cc1ccncc1C#N ZINC000592081648 520169302 /nfs/dbraw/zinc/16/93/02/520169302.db2.gz BOWXROJDPKBQAM-NRFANRHFSA-N 1 2 360.465 2.706 20 30 FFEDLO CCC[C@H]1CN(Cc2ccncc2C#N)CC[N@H+]1Cc1ccncc1C#N ZINC000592081648 520169307 /nfs/dbraw/zinc/16/93/07/520169307.db2.gz BOWXROJDPKBQAM-NRFANRHFSA-N 1 2 360.465 2.706 20 30 FFEDLO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592148191 520224080 /nfs/dbraw/zinc/22/40/80/520224080.db2.gz WLZYJJYSKLIIJN-TZIWHRDSSA-N 1 2 365.433 2.725 20 30 FFEDLO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592148191 520224086 /nfs/dbraw/zinc/22/40/86/520224086.db2.gz WLZYJJYSKLIIJN-TZIWHRDSSA-N 1 2 365.433 2.725 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000592146843 520224175 /nfs/dbraw/zinc/22/41/75/520224175.db2.gz KWBILSXOJXJFGP-ICSRJNTNSA-N 1 2 353.397 2.856 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000592146843 520224187 /nfs/dbraw/zinc/22/41/87/520224187.db2.gz KWBILSXOJXJFGP-ICSRJNTNSA-N 1 2 353.397 2.856 20 30 FFEDLO C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149873 520227298 /nfs/dbraw/zinc/22/72/98/520227298.db2.gz YNGRYODWOUTBFT-SGTLLEGYSA-N 1 2 374.441 2.627 20 30 FFEDLO C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149873 520227304 /nfs/dbraw/zinc/22/73/04/520227304.db2.gz YNGRYODWOUTBFT-SGTLLEGYSA-N 1 2 374.441 2.627 20 30 FFEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000600421377 520251060 /nfs/dbraw/zinc/25/10/60/520251060.db2.gz NNEVIGGCLAGXCG-OAHLLOKOSA-N 1 2 369.396 2.550 20 30 FFEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000600421377 520251064 /nfs/dbraw/zinc/25/10/64/520251064.db2.gz NNEVIGGCLAGXCG-OAHLLOKOSA-N 1 2 369.396 2.550 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N(C)CCCC[NH+]2CCCCC2)cc1C#N ZINC000603412255 520253583 /nfs/dbraw/zinc/25/35/83/520253583.db2.gz HCHUSWFVUBZFEN-UHFFFAOYSA-N 1 2 362.499 2.719 20 30 FFEDLO CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609485912 520328590 /nfs/dbraw/zinc/32/85/90/520328590.db2.gz ZXHAMBVBWMAIQK-NRFANRHFSA-N 1 2 370.541 2.899 20 30 FFEDLO CC(C)c1ccc(CCNC(=O)C[NH+]2CCN([C@H](C#N)C(C)C)CC2)cc1 ZINC000609486965 520330275 /nfs/dbraw/zinc/33/02/75/520330275.db2.gz UUROZEAFXBZJPI-OAQYLSRUSA-N 1 2 370.541 2.634 20 30 FFEDLO CCC[C@H](NC(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1)c1ccccc1 ZINC000609537526 520348448 /nfs/dbraw/zinc/34/84/48/520348448.db2.gz AFQKJNBESSFTSP-PMACEKPBSA-N 1 2 356.514 2.810 20 30 FFEDLO Cc1ccc(CS(=O)(=O)Cc2[nH+]ccn2CC(F)(F)F)cc1C#N ZINC000600661194 520380438 /nfs/dbraw/zinc/38/04/38/520380438.db2.gz RXKVGBCIGXCEMT-UHFFFAOYSA-N 1 2 357.357 2.741 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000592522099 520438018 /nfs/dbraw/zinc/43/80/18/520438018.db2.gz HSCBCSNBTCAHST-INIZCTEOSA-N 1 2 361.243 2.690 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000592522099 520438033 /nfs/dbraw/zinc/43/80/33/520438033.db2.gz HSCBCSNBTCAHST-INIZCTEOSA-N 1 2 361.243 2.690 20 30 FFEDLO CC(C)(C#N)CCCC[NH+]1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000595448927 520477607 /nfs/dbraw/zinc/47/76/07/520477607.db2.gz XOIPGAJMGBZTLY-UHFFFAOYSA-N 1 2 361.511 2.783 20 30 FFEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000595470464 520493115 /nfs/dbraw/zinc/49/31/15/520493115.db2.gz VVYLIJBHDTXCRA-CVEARBPZSA-N 1 2 355.816 2.946 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCCN(c3cccc(F)c3F)CC2)cc1 ZINC000595503791 520515622 /nfs/dbraw/zinc/51/56/22/520515622.db2.gz BYEAAOHYLHPCGM-IBGZPJMESA-N 1 2 370.403 2.575 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCCN(c3cccc(F)c3F)CC2)cc1 ZINC000595503791 520515631 /nfs/dbraw/zinc/51/56/31/520515631.db2.gz BYEAAOHYLHPCGM-IBGZPJMESA-N 1 2 370.403 2.575 20 30 FFEDLO COc1cccc([C@@H](Nc2cc(C#N)nc(C3CC3)n2)c2[nH+]ccn2C)c1 ZINC000601100387 520634777 /nfs/dbraw/zinc/63/47/77/520634777.db2.gz BGGJSYZTAHGVFU-GOSISDBHSA-N 1 2 360.421 2.591 20 30 FFEDLO COC(=O)[C@H](c1cccc(OC)c1)[N@H+](C)CCOc1ccccc1C#N ZINC000595679926 520642137 /nfs/dbraw/zinc/64/21/37/520642137.db2.gz LWUNACKSQXFQFX-IBGZPJMESA-N 1 2 354.406 2.792 20 30 FFEDLO COC(=O)[C@H](c1cccc(OC)c1)[N@@H+](C)CCOc1ccccc1C#N ZINC000595679926 520642144 /nfs/dbraw/zinc/64/21/44/520642144.db2.gz LWUNACKSQXFQFX-IBGZPJMESA-N 1 2 354.406 2.792 20 30 FFEDLO COCC[N@H+](CCC#N)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000610391639 520663142 /nfs/dbraw/zinc/66/31/42/520663142.db2.gz BEZOSZIRCYCKAM-ZDUSSCGKSA-N 1 2 373.526 2.803 20 30 FFEDLO COCC[N@@H+](CCC#N)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000610391639 520663148 /nfs/dbraw/zinc/66/31/48/520663148.db2.gz BEZOSZIRCYCKAM-ZDUSSCGKSA-N 1 2 373.526 2.803 20 30 FFEDLO N#Cc1ccc(-c2cc(N3CC[NH+](Cc4ccncc4F)CC3)n[nH]2)cc1 ZINC000595730646 520677118 /nfs/dbraw/zinc/67/71/18/520677118.db2.gz DEUATYMOIKDOIP-UHFFFAOYSA-N 1 2 362.412 2.805 20 30 FFEDLO CC(C)c1ccnc(N2CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)n1 ZINC000593025665 520691677 /nfs/dbraw/zinc/69/16/77/520691677.db2.gz PVBLOZZVMBRFCQ-UHFFFAOYSA-N 1 2 366.425 2.702 20 30 FFEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)cc1F ZINC000595752993 520699564 /nfs/dbraw/zinc/69/95/64/520699564.db2.gz OAFIGTNYCASCPZ-KRWDZBQOSA-N 1 2 358.417 2.627 20 30 FFEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)CCC#N)cc1F ZINC000595752993 520699567 /nfs/dbraw/zinc/69/95/67/520699567.db2.gz OAFIGTNYCASCPZ-KRWDZBQOSA-N 1 2 358.417 2.627 20 30 FFEDLO COc1cccc([C@H](NC(=O)c2ccc(C#N)s2)c2[nH+]ccn2C)c1 ZINC000610519212 520725767 /nfs/dbraw/zinc/72/57/67/520725767.db2.gz DFONSLHTOYPODM-INIZCTEOSA-N 1 2 352.419 2.881 20 30 FFEDLO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000598591837 520732097 /nfs/dbraw/zinc/73/20/97/520732097.db2.gz CXKBVXXJHPTWRM-ZDUSSCGKSA-N 1 2 361.467 2.553 20 30 FFEDLO COC(=O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598606037 520739132 /nfs/dbraw/zinc/73/91/32/520739132.db2.gz IMXSFKCQIJPRHV-HNNXBMFYSA-N 1 2 372.387 2.981 20 30 FFEDLO COC(=O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598606037 520739140 /nfs/dbraw/zinc/73/91/40/520739140.db2.gz IMXSFKCQIJPRHV-HNNXBMFYSA-N 1 2 372.387 2.981 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000593154878 520784573 /nfs/dbraw/zinc/78/45/73/520784573.db2.gz OHDVMCXUBSTPGI-MRXNPFEDSA-N 1 2 350.394 2.662 20 30 FFEDLO Cc1cc(NCc2cc[nH+]c(N3CCOCC3)c2)cc(C#N)c1[N+](=O)[O-] ZINC000596074822 520895285 /nfs/dbraw/zinc/89/52/85/520895285.db2.gz GUOXTDCIVNDUSW-UHFFFAOYSA-N 1 2 353.382 2.619 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)c2cc(O)cc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000614304871 520900303 /nfs/dbraw/zinc/90/03/03/520900303.db2.gz VYHABTSJDASWNT-ROUUACIJSA-N 1 2 357.360 2.717 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)c2cc(O)cc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000614304871 520900309 /nfs/dbraw/zinc/90/03/09/520900309.db2.gz VYHABTSJDASWNT-ROUUACIJSA-N 1 2 357.360 2.717 20 30 FFEDLO N#Cc1cc(F)cc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)c1 ZINC000601709696 520914696 /nfs/dbraw/zinc/91/46/96/520914696.db2.gz DYACNUIPLFBKLI-IBGZPJMESA-N 1 2 353.397 2.834 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1cccc(F)c1 ZINC000596106961 520915671 /nfs/dbraw/zinc/91/56/71/520915671.db2.gz BJHYVPMUOXODEM-YOEHRIQHSA-N 1 2 355.417 2.984 20 30 FFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601726585 520922056 /nfs/dbraw/zinc/92/20/56/520922056.db2.gz BTSJQFZFAGQKEN-QGZVFWFLSA-N 1 2 363.461 2.787 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)ccn1 ZINC000610991319 520933325 /nfs/dbraw/zinc/93/33/25/520933325.db2.gz FSUQTZYCBLTYJA-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)ccn1 ZINC000610991319 520933333 /nfs/dbraw/zinc/93/33/33/520933333.db2.gz FSUQTZYCBLTYJA-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000611152790 521012778 /nfs/dbraw/zinc/01/27/78/521012778.db2.gz FIKISPYQNBWAKA-HKUYNNGSSA-N 1 2 374.481 2.689 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000611152790 521012787 /nfs/dbraw/zinc/01/27/87/521012787.db2.gz FIKISPYQNBWAKA-HKUYNNGSSA-N 1 2 374.481 2.689 20 30 FFEDLO N#CCCN1CC[NH+](CC(=O)N(Cc2ccccc2)c2ccccc2)CC1 ZINC000611173849 521024165 /nfs/dbraw/zinc/02/41/65/521024165.db2.gz NXUKERGJKVHHIK-UHFFFAOYSA-N 1 2 362.477 2.751 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000611177127 521026003 /nfs/dbraw/zinc/02/60/03/521026003.db2.gz WDIIFRUBRIAJJI-CYBMUJFWSA-N 1 2 363.343 2.567 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000611177127 521026015 /nfs/dbraw/zinc/02/60/15/521026015.db2.gz WDIIFRUBRIAJJI-CYBMUJFWSA-N 1 2 363.343 2.567 20 30 FFEDLO CC(=O)Nc1ccccc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000611260301 521064247 /nfs/dbraw/zinc/06/42/47/521064247.db2.gz RAAFDFQRONCHMA-UHFFFAOYSA-N 1 2 365.437 2.704 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)c1F ZINC000611371201 521124089 /nfs/dbraw/zinc/12/40/89/521124089.db2.gz DNNZKOGDHQVXOE-UHFFFAOYSA-N 1 2 373.453 2.594 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)c1F ZINC000611371201 521124098 /nfs/dbraw/zinc/12/40/98/521124098.db2.gz DNNZKOGDHQVXOE-UHFFFAOYSA-N 1 2 373.453 2.594 20 30 FFEDLO Cc1cc(C[N@H+](Cc2ccc(C#N)o2)C2CC2)cc(S(N)(=O)=O)c1C ZINC000593670016 521142959 /nfs/dbraw/zinc/14/29/59/521142959.db2.gz FREQBIRQRHCAHU-UHFFFAOYSA-N 1 2 359.451 2.580 20 30 FFEDLO Cc1cc(C[N@@H+](Cc2ccc(C#N)o2)C2CC2)cc(S(N)(=O)=O)c1C ZINC000593670016 521142969 /nfs/dbraw/zinc/14/29/69/521142969.db2.gz FREQBIRQRHCAHU-UHFFFAOYSA-N 1 2 359.451 2.580 20 30 FFEDLO CN(C)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cn1 ZINC000618618028 521146806 /nfs/dbraw/zinc/14/68/06/521146806.db2.gz UFQLEBOHBLFGHB-UHFFFAOYSA-N 1 2 355.873 2.995 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598174 521157910 /nfs/dbraw/zinc/15/79/10/521157910.db2.gz DDRWKEJRNHKZCT-AWEZNQCLSA-N 1 2 351.454 2.703 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598174 521157917 /nfs/dbraw/zinc/15/79/17/521157917.db2.gz DDRWKEJRNHKZCT-AWEZNQCLSA-N 1 2 351.454 2.703 20 30 FFEDLO Cc1cc[nH+]cc1Cc1noc(CCc2c(C)nc3c(C#N)cnn3c2C)n1 ZINC000596617899 521168530 /nfs/dbraw/zinc/16/85/30/521168530.db2.gz WTXNGLTXBQTSPB-UHFFFAOYSA-N 1 2 373.420 2.680 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000599371658 521181331 /nfs/dbraw/zinc/18/13/31/521181331.db2.gz DUAPYAGTAPRRGK-HUUCEWRRSA-N 1 2 361.492 2.545 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000599371658 521181338 /nfs/dbraw/zinc/18/13/38/521181338.db2.gz DUAPYAGTAPRRGK-HUUCEWRRSA-N 1 2 361.492 2.545 20 30 FFEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000614922229 521194613 /nfs/dbraw/zinc/19/46/13/521194613.db2.gz NPSNVFVMXKWVLI-BLLLJJGKSA-N 1 2 355.360 2.929 20 30 FFEDLO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000614922229 521194620 /nfs/dbraw/zinc/19/46/20/521194620.db2.gz NPSNVFVMXKWVLI-BLLLJJGKSA-N 1 2 355.360 2.929 20 30 FFEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000614924801 521195207 /nfs/dbraw/zinc/19/52/07/521195207.db2.gz MMBGEDXGBIPGOO-RDJZCZTQSA-N 1 2 367.371 2.707 20 30 FFEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000614924801 521195211 /nfs/dbraw/zinc/19/52/11/521195211.db2.gz MMBGEDXGBIPGOO-RDJZCZTQSA-N 1 2 367.371 2.707 20 30 FFEDLO N#Cc1cnccc1C[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000599616097 521333943 /nfs/dbraw/zinc/33/39/43/521333943.db2.gz XYFCNCIMPHUWEM-UHFFFAOYSA-N 1 2 367.453 2.685 20 30 FFEDLO CSc1cc(Br)ccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000594024133 521355616 /nfs/dbraw/zinc/35/56/16/521355616.db2.gz CMHJCSDDHFZUAU-AWEZNQCLSA-N 1 2 356.289 2.745 20 30 FFEDLO COC(=O)[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)Cc2ccccc21 ZINC000599671513 521386479 /nfs/dbraw/zinc/38/64/79/521386479.db2.gz ZHLNIFIKDDPUGD-KSSFIOAISA-N 1 2 363.417 2.658 20 30 FFEDLO COC(=O)[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)Cc2ccccc21 ZINC000599671513 521386482 /nfs/dbraw/zinc/38/64/82/521386482.db2.gz ZHLNIFIKDDPUGD-KSSFIOAISA-N 1 2 363.417 2.658 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)Nc1nc3c(s1)CCC3)C2 ZINC000599676356 521390523 /nfs/dbraw/zinc/39/05/23/521390523.db2.gz BFSRLJGTVNQUNN-UHFFFAOYSA-N 1 2 352.463 2.695 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)Nc1nc3c(s1)CCC3)C2 ZINC000599676356 521390532 /nfs/dbraw/zinc/39/05/32/521390532.db2.gz BFSRLJGTVNQUNN-UHFFFAOYSA-N 1 2 352.463 2.695 20 30 FFEDLO COC(=O)c1ccc2[nH]c(C[N@@H+]3CCc4c(CC#N)cccc4C3)nc2c1 ZINC000599678116 521392756 /nfs/dbraw/zinc/39/27/56/521392756.db2.gz OPCHMFGOCHWPCV-UHFFFAOYSA-N 1 2 360.417 2.974 20 30 FFEDLO COC(=O)c1ccc2[nH]c(C[N@H+]3CCc4c(CC#N)cccc4C3)nc2c1 ZINC000599678116 521392758 /nfs/dbraw/zinc/39/27/58/521392758.db2.gz OPCHMFGOCHWPCV-UHFFFAOYSA-N 1 2 360.417 2.974 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2Cc3ccccc3[C@H](C(=O)OC)C2)c1C#N ZINC000599680733 521395116 /nfs/dbraw/zinc/39/51/16/521395116.db2.gz QWLIELHSPXJILE-LJQANCHMSA-N 1 2 364.401 2.617 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2Cc3ccccc3[C@H](C(=O)OC)C2)c1C#N ZINC000599680733 521395123 /nfs/dbraw/zinc/39/51/23/521395123.db2.gz QWLIELHSPXJILE-LJQANCHMSA-N 1 2 364.401 2.617 20 30 FFEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@@](F)(C#N)C2)c(C)c1 ZINC000615593402 521459546 /nfs/dbraw/zinc/45/95/46/521459546.db2.gz YJXAQTLHWBVVJU-IEBWSBKVSA-N 1 2 355.417 2.888 20 30 FFEDLO Cc1ccnc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)c1C#N ZINC000612080281 521471258 /nfs/dbraw/zinc/47/12/58/521471258.db2.gz UAXBBJUFJGPYRY-GOSISDBHSA-N 1 2 356.857 2.771 20 30 FFEDLO Cc1cccn2c(NC(=O)N3CCN(c4ccccc4C#N)CC3)c[nH+]c12 ZINC000597082537 521489051 /nfs/dbraw/zinc/48/90/51/521489051.db2.gz VSTIQHUHYVRIHV-UHFFFAOYSA-N 1 2 360.421 2.869 20 30 FFEDLO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@](C)(C#N)C1)c1c(F)cccc1F ZINC000612136724 521499878 /nfs/dbraw/zinc/49/98/78/521499878.db2.gz HDZLFNFSWHWEIO-MAUKXSAKSA-N 1 2 350.413 2.903 20 30 FFEDLO C[C@@]1(C#N)CCC[N@H+](CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000612164894 521514115 /nfs/dbraw/zinc/51/41/15/521514115.db2.gz HZLANCPZUVKAPL-IBGZPJMESA-N 1 2 360.889 2.614 20 30 FFEDLO C[C@@]1(C#N)CCC[N@@H+](CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000612164894 521514123 /nfs/dbraw/zinc/51/41/23/521514123.db2.gz HZLANCPZUVKAPL-IBGZPJMESA-N 1 2 360.889 2.614 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCC2(C#N)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000619531008 521755601 /nfs/dbraw/zinc/75/56/01/521755601.db2.gz WVWOUZSGRGPBQJ-ZBFHGGJFSA-N 1 2 366.387 2.842 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)NCC2(C#N)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000619531008 521755610 /nfs/dbraw/zinc/75/56/10/521755610.db2.gz WVWOUZSGRGPBQJ-ZBFHGGJFSA-N 1 2 366.387 2.842 20 30 FFEDLO CC[C@@H](O)C[NH+]1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000619570730 521775124 /nfs/dbraw/zinc/77/51/24/521775124.db2.gz SCWNQERHDJLMRC-CYBMUJFWSA-N 1 2 372.694 2.867 20 30 FFEDLO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647579 521810162 /nfs/dbraw/zinc/81/01/62/521810162.db2.gz XQHLUFRMQYAZDW-FXAWDEMLSA-N 1 2 372.488 2.655 20 30 FFEDLO CC(C)(COCc1ccccc1)NC(=O)NCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000619650580 521812318 /nfs/dbraw/zinc/81/23/18/521812318.db2.gz FBJIAIGAYOTFRU-NRFANRHFSA-N 1 2 372.513 2.907 20 30 FFEDLO CC(C)(COCc1ccccc1)NC(=O)NCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000619650580 521812321 /nfs/dbraw/zinc/81/23/21/521812321.db2.gz FBJIAIGAYOTFRU-NRFANRHFSA-N 1 2 372.513 2.907 20 30 FFEDLO C=C[C@@H](Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1)C(=O)OC ZINC000619687041 521825041 /nfs/dbraw/zinc/82/50/41/521825041.db2.gz KMXBVECLXAPEAZ-SMDDNHRTSA-N 1 2 364.446 2.849 20 30 FFEDLO C=C[C@H]([NH2+][C@@H](C)CCc1ccc(I)cc1)C(=O)OC ZINC000619704346 521830858 /nfs/dbraw/zinc/83/08/58/521830858.db2.gz FSPSNQKSAAKHNN-FZMZJTMJSA-N 1 2 373.234 2.930 20 30 FFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000619719093 521836473 /nfs/dbraw/zinc/83/64/73/521836473.db2.gz SYLCUONTMVLTDL-HNNXBMFYSA-N 1 2 350.484 2.792 20 30 FFEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)Nc1cnn(C)c1 ZINC000328647999 523084397 /nfs/dbraw/zinc/08/43/97/523084397.db2.gz UFZXOOLTAVADJA-JSGCOSHPSA-N 1 2 351.451 2.572 20 30 FFEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)Nc1cnn(C)c1 ZINC000328647999 523084404 /nfs/dbraw/zinc/08/44/04/523084404.db2.gz UFZXOOLTAVADJA-JSGCOSHPSA-N 1 2 351.451 2.572 20 30 FFEDLO Cn1cc(CNc2ccc(-n3cncn3)c[nH+]2)c(-c2ccc(C#N)cc2)n1 ZINC000616204827 555280749 /nfs/dbraw/zinc/28/07/49/555280749.db2.gz GVYHANKNRHKIGD-UHFFFAOYSA-N 1 2 356.393 2.547 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1CC2(CCCC2)CC1=O ZINC000819745836 606155977 /nfs/dbraw/zinc/15/59/77/606155977.db2.gz SKEPTWCCIUCESN-UHFFFAOYSA-N 1 2 366.469 2.605 20 30 FFEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1CC2(CCCC2)CC1=O ZINC000819745836 606155978 /nfs/dbraw/zinc/15/59/78/606155978.db2.gz SKEPTWCCIUCESN-UHFFFAOYSA-N 1 2 366.469 2.605 20 30 FFEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc(Cl)cc2C#N)CC1 ZINC001164918773 721818103 /nfs/dbraw/zinc/81/81/03/721818103.db2.gz UYSMWDZMMCHYSL-UHFFFAOYSA-N 1 2 356.861 2.553 20 30 FFEDLO CSc1ccc(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cc1C#N ZINC000899376142 735480084 /nfs/dbraw/zinc/48/00/84/735480084.db2.gz HSVVBMSEUAWZIM-KRWDZBQOSA-N 1 2 359.495 2.540 20 30 FFEDLO CSc1ccc(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cc1C#N ZINC000899376142 735480087 /nfs/dbraw/zinc/48/00/87/735480087.db2.gz HSVVBMSEUAWZIM-KRWDZBQOSA-N 1 2 359.495 2.540 20 30 FFEDLO C#CC[NH+]1CCN(Cn2nc([C@H](CC)c3ccccc3)oc2=S)CC1 ZINC000075711829 728251604 /nfs/dbraw/zinc/25/16/04/728251604.db2.gz ALTCEKVZDODPQN-QGZVFWFLSA-N 1 2 356.495 2.956 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)NCc2ccccc2Cl)cc1 ZINC000078695791 728301240 /nfs/dbraw/zinc/30/12/40/728301240.db2.gz KJAOAZDQJXEHAF-GFCCVEGCSA-N 1 2 361.829 2.690 20 30 FFEDLO C=CC[N@@H+](C)CC1=C(C(=O)OCC)[C@H](c2ccc(Cl)cc2)NC(=O)N1 ZINC000121448639 728627523 /nfs/dbraw/zinc/62/75/23/728627523.db2.gz IRHQDWPHHZJNRH-INIZCTEOSA-N 1 2 363.845 2.629 20 30 FFEDLO C=CC[N@H+](C)CC1=C(C(=O)OCC)[C@H](c2ccc(Cl)cc2)NC(=O)N1 ZINC000121448639 728627525 /nfs/dbraw/zinc/62/75/25/728627525.db2.gz IRHQDWPHHZJNRH-INIZCTEOSA-N 1 2 363.845 2.629 20 30 FFEDLO C=CC[N@@H+](C)CC1=NC(=O)N[C@@H](c2ccc(Cl)cc2)C1C(=O)OCC ZINC000121448639 728627526 /nfs/dbraw/zinc/62/75/26/728627526.db2.gz IRHQDWPHHZJNRH-INIZCTEOSA-N 1 2 363.845 2.629 20 30 FFEDLO C=CC[N@H+](C)CC1=NC(=O)N[C@@H](c2ccc(Cl)cc2)C1C(=O)OCC ZINC000121448639 728627528 /nfs/dbraw/zinc/62/75/28/728627528.db2.gz IRHQDWPHHZJNRH-INIZCTEOSA-N 1 2 363.845 2.629 20 30 FFEDLO CSc1ccccc1NC(=O)C[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000121610492 728632781 /nfs/dbraw/zinc/63/27/81/728632781.db2.gz GNJZKULTQLXDOK-QGZVFWFLSA-N 1 2 355.463 2.884 20 30 FFEDLO CSc1ccccc1NC(=O)C[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000121610492 728632783 /nfs/dbraw/zinc/63/27/83/728632783.db2.gz GNJZKULTQLXDOK-QGZVFWFLSA-N 1 2 355.463 2.884 20 30 FFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000129328186 728711099 /nfs/dbraw/zinc/71/10/99/728711099.db2.gz RRKWJAFZIKZWSG-HNNXBMFYSA-N 1 2 355.463 2.904 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)[C@H](C)Sc2nc3ccccc3s2)CC1 ZINC000130112339 728715243 /nfs/dbraw/zinc/71/52/43/728715243.db2.gz QHIQHOWTQXPWMK-AWEZNQCLSA-N 1 2 359.520 2.944 20 30 FFEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@](C)(c2ccc(C(F)(F)F)cc2)C1=O ZINC000182625596 729283098 /nfs/dbraw/zinc/28/30/98/729283098.db2.gz SKHCKWULYSSOCQ-MRXNPFEDSA-N 1 2 355.360 2.938 20 30 FFEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc(C(F)(F)F)cc2)C1=O ZINC000182625596 729283099 /nfs/dbraw/zinc/28/30/99/729283099.db2.gz SKHCKWULYSSOCQ-MRXNPFEDSA-N 1 2 355.360 2.938 20 30 FFEDLO C=C(Br)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000187645395 729379500 /nfs/dbraw/zinc/37/95/00/729379500.db2.gz URZFDDUTVUHJGN-UHFFFAOYSA-N 1 2 352.144 2.846 20 30 FFEDLO C[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1nnnn1C1CC1 ZINC000191469188 729417256 /nfs/dbraw/zinc/41/72/56/729417256.db2.gz VUPFNYLMKXWCKR-LLVKDONJSA-N 1 2 351.332 2.609 20 30 FFEDLO C=C(Br)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245710878 729574704 /nfs/dbraw/zinc/57/47/04/729574704.db2.gz SWNIPSQRUWGFIZ-ZIAGYGMSSA-N 1 2 374.229 2.918 20 30 FFEDLO C=C(Br)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245710878 729574708 /nfs/dbraw/zinc/57/47/08/729574708.db2.gz SWNIPSQRUWGFIZ-ZIAGYGMSSA-N 1 2 374.229 2.918 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)C2(O)CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000330048184 729799660 /nfs/dbraw/zinc/79/96/60/729799660.db2.gz IHJPLQTWCJLYEX-GJZGRUSLSA-N 1 2 356.825 2.722 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)C2(O)CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000330048184 729799663 /nfs/dbraw/zinc/79/96/63/729799663.db2.gz IHJPLQTWCJLYEX-GJZGRUSLSA-N 1 2 356.825 2.722 20 30 FFEDLO C#CC[C@@H](CCOC)NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000858495779 730427285 /nfs/dbraw/zinc/42/72/85/730427285.db2.gz KCRSIXINLLUVMK-AWEZNQCLSA-N 1 2 360.845 2.753 20 30 FFEDLO C[C@H]([NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)c1cccc(C#N)c1O ZINC000866517890 731069631 /nfs/dbraw/zinc/06/96/31/731069631.db2.gz QLAKYOPSYHQZJT-QRTARXTBSA-N 1 2 356.447 2.919 20 30 FFEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2coc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000867115860 731145236 /nfs/dbraw/zinc/14/52/36/731145236.db2.gz TXXKXLQTDZSRIC-SJORKVTESA-N 1 2 359.813 2.606 20 30 FFEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2coc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000867115860 731145237 /nfs/dbraw/zinc/14/52/37/731145237.db2.gz TXXKXLQTDZSRIC-SJORKVTESA-N 1 2 359.813 2.606 20 30 FFEDLO COc1cc(C=NNCCCn2cc[nH+]c2)c(F)cc1Br ZINC000872388157 731759627 /nfs/dbraw/zinc/75/96/27/731759627.db2.gz YLMVDFUOCFCKAS-UHFFFAOYSA-N 1 2 355.211 2.807 20 30 FFEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CC[C@@]3(C(=O)OC)CCC[C@@H]23)c1=S ZINC000872828307 731838714 /nfs/dbraw/zinc/83/87/14/731838714.db2.gz YUVOUXNIIXAHAV-KDOFPFPSSA-N 1 2 362.499 2.853 20 30 FFEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CC[C@@]3(C(=O)OC)CCC[C@@H]23)c1=S ZINC000872828307 731838716 /nfs/dbraw/zinc/83/87/16/731838716.db2.gz YUVOUXNIIXAHAV-KDOFPFPSSA-N 1 2 362.499 2.853 20 30 FFEDLO Cc1csc([C@H]2CC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000880008515 732818424 /nfs/dbraw/zinc/81/84/24/732818424.db2.gz DRBFQBXCPYKRLI-KBPBESRZSA-N 1 2 358.492 2.980 20 30 FFEDLO Cc1csc([C@H]2CC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000880008515 732818429 /nfs/dbraw/zinc/81/84/29/732818429.db2.gz DRBFQBXCPYKRLI-KBPBESRZSA-N 1 2 358.492 2.980 20 30 FFEDLO Cc1csc([C@@H]2CC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000880008518 732818452 /nfs/dbraw/zinc/81/84/52/732818452.db2.gz DRBFQBXCPYKRLI-KGLIPLIRSA-N 1 2 358.492 2.980 20 30 FFEDLO Cc1csc([C@@H]2CC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000880008518 732818455 /nfs/dbraw/zinc/81/84/55/732818455.db2.gz DRBFQBXCPYKRLI-KGLIPLIRSA-N 1 2 358.492 2.980 20 30 FFEDLO COCCCN=c1scc(C)n1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783744474 738831950 /nfs/dbraw/zinc/83/19/50/738831950.db2.gz KHCBOOXVGWPUNY-UHFFFAOYSA-N 1 2 361.496 2.925 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(O)c(Cl)c3)CC2)c(CO)c1 ZINC000894997656 734950039 /nfs/dbraw/zinc/95/00/39/734950039.db2.gz XHGXVLMRIZCSQD-UHFFFAOYSA-N 1 2 357.841 2.732 20 30 FFEDLO COC(=O)c1cnc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)s1 ZINC000895277557 734985863 /nfs/dbraw/zinc/98/58/63/734985863.db2.gz IIVBZNWHNIMFHW-UHFFFAOYSA-N 1 2 357.435 2.597 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H](NC(=O)OC)C2)cc1OC ZINC000895845302 735063814 /nfs/dbraw/zinc/06/38/14/735063814.db2.gz WEBVFSHXAWOVOG-ZDUSSCGKSA-N 1 2 354.834 2.844 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](NC(=O)OC)C2)cc1OC ZINC000895845302 735063817 /nfs/dbraw/zinc/06/38/17/735063817.db2.gz WEBVFSHXAWOVOG-ZDUSSCGKSA-N 1 2 354.834 2.844 20 30 FFEDLO C=CCCCN(CC)C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000896204911 735118593 /nfs/dbraw/zinc/11/85/93/735118593.db2.gz CTHBHPWEOOGMHL-UHFFFAOYSA-N 1 2 353.507 2.790 20 30 FFEDLO C/C(=C/C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)C[NH+]1CCOCC1 ZINC000900643361 735674032 /nfs/dbraw/zinc/67/40/32/735674032.db2.gz MLBJGZDWVVCPDJ-IYCSXQJISA-N 1 2 368.264 2.953 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CCSC[C@H]1CCO ZINC000759729653 736589026 /nfs/dbraw/zinc/58/90/26/736589026.db2.gz BUTJMMVZBNVFPJ-IYSPOMMRSA-N 1 2 360.523 2.667 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CCSC[C@H]1CCO ZINC000759729653 736589028 /nfs/dbraw/zinc/58/90/28/736589028.db2.gz BUTJMMVZBNVFPJ-IYSPOMMRSA-N 1 2 360.523 2.667 20 30 FFEDLO [NH3+][C@@H](CC(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(F)F ZINC000912465290 737307682 /nfs/dbraw/zinc/30/76/82/737307682.db2.gz AZSAMYMQVLDAQM-OSMVPFSASA-N 1 2 356.257 2.995 20 30 FFEDLO C=CCNc1ncc(C(=O)N2CC[NH2+][C@@H](c3cccc(OC)c3)C2)s1 ZINC000913482164 737410758 /nfs/dbraw/zinc/41/07/58/737410758.db2.gz HDGXEFABIVOGGL-OAHLLOKOSA-N 1 2 358.467 2.536 20 30 FFEDLO C=CC[N@@H+](Cc1sc2nc(C)nc(C)c2c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000768985073 737484752 /nfs/dbraw/zinc/48/47/52/737484752.db2.gz OONGECSLPDKURY-CQSZACIVSA-N 1 2 365.524 2.792 20 30 FFEDLO C=CC[N@H+](Cc1sc2nc(C)nc(C)c2c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000768985073 737484753 /nfs/dbraw/zinc/48/47/53/737484753.db2.gz OONGECSLPDKURY-CQSZACIVSA-N 1 2 365.524 2.792 20 30 FFEDLO C#C[C@H]([NH2+]Cc1csc(-c2ccc(C(=O)OC)cc2)n1)[C@H]1CCCO1 ZINC000775804523 738126746 /nfs/dbraw/zinc/12/67/46/738126746.db2.gz AKVLGERAQSPZQK-DLBZAZTESA-N 1 2 356.447 2.867 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000930551468 739125862 /nfs/dbraw/zinc/12/58/62/739125862.db2.gz CASWCBAUHBDAHQ-GOEBONIOSA-N 1 2 354.376 2.575 20 30 FFEDLO N#CC[C@@H](NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C(F)(F)F ZINC000932905339 739534587 /nfs/dbraw/zinc/53/45/87/739534587.db2.gz SSHHQICIERWIFH-JHJVBQTASA-N 1 2 355.364 2.948 20 30 FFEDLO C#Cc1ccc(NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c(Cl)c1 ZINC000933362623 739610380 /nfs/dbraw/zinc/61/03/80/739610380.db2.gz CRTOJYHSZXICOW-UHFFFAOYSA-N 1 2 355.829 2.774 20 30 FFEDLO O=C1[C@H]([NH+]2CCC3(CC2)CC(=O)C=CO3)CCN1c1cccc(Cl)c1 ZINC000933651374 739667089 /nfs/dbraw/zinc/66/70/89/739667089.db2.gz HTLARPYAPQFURP-QGZVFWFLSA-N 1 2 360.841 2.783 20 30 FFEDLO C#C[C@@H]1CCCC[N@H+]1Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000934514646 739796797 /nfs/dbraw/zinc/79/67/97/739796797.db2.gz WDVGOUDKQYTSOP-GFCCVEGCSA-N 1 2 353.348 2.530 20 30 FFEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000934514646 739796800 /nfs/dbraw/zinc/79/68/00/739796800.db2.gz WDVGOUDKQYTSOP-GFCCVEGCSA-N 1 2 353.348 2.530 20 30 FFEDLO C=CCC(C)(C)C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000796461499 740145452 /nfs/dbraw/zinc/14/54/52/740145452.db2.gz JLDSVPIFLILRKH-UHFFFAOYSA-N 1 2 350.484 2.538 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000800541178 740532813 /nfs/dbraw/zinc/53/28/13/740532813.db2.gz HXQINGXZMBXICM-INIZCTEOSA-N 1 2 351.372 2.601 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000800541178 740532817 /nfs/dbraw/zinc/53/28/17/740532817.db2.gz HXQINGXZMBXICM-INIZCTEOSA-N 1 2 351.372 2.601 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1csc(C)n1 ZINC000960925448 740628574 /nfs/dbraw/zinc/62/85/74/740628574.db2.gz BQFMAJIPZLHDIY-BZSNNMDCSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1csc(C)n1 ZINC000960925448 740628578 /nfs/dbraw/zinc/62/85/78/740628578.db2.gz BQFMAJIPZLHDIY-BZSNNMDCSA-N 1 2 363.527 2.856 20 30 FFEDLO Cc1ccc(NC(=O)N2CC[NH+](CCO[C@H](C)C#N)CC2)cc1Cl ZINC000801936595 740665675 /nfs/dbraw/zinc/66/56/75/740665675.db2.gz SSDVMXREIBHMHD-CQSZACIVSA-N 1 2 350.850 2.727 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)sc2C)C1 ZINC000971559590 740787940 /nfs/dbraw/zinc/78/79/40/740787940.db2.gz WSFWKCADBYKBLB-JZXOWHBKSA-N 1 2 363.527 2.774 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)sc2C)C1 ZINC000971559590 740787945 /nfs/dbraw/zinc/78/79/45/740787945.db2.gz WSFWKCADBYKBLB-JZXOWHBKSA-N 1 2 363.527 2.774 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2c(F)cccc2F)C1 ZINC000972374961 740826890 /nfs/dbraw/zinc/82/68/90/740826890.db2.gz XJQZWBBAXJHMGA-IYOUNJFTSA-N 1 2 350.409 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2c(F)cccc2F)C1 ZINC000972374961 740826895 /nfs/dbraw/zinc/82/68/95/740826895.db2.gz XJQZWBBAXJHMGA-IYOUNJFTSA-N 1 2 350.409 2.589 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2ncc(C)s2)CC1(C)C ZINC000977325952 741074423 /nfs/dbraw/zinc/07/44/23/741074423.db2.gz KBKYLAPEEYABPN-ZOBUZTSGSA-N 1 2 363.527 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@@H+](Cc2ncc(C)s2)CC1(C)C ZINC000977325952 741074426 /nfs/dbraw/zinc/07/44/26/741074426.db2.gz KBKYLAPEEYABPN-ZOBUZTSGSA-N 1 2 363.527 2.759 20 30 FFEDLO C#C[C@H](CCC)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000812184899 741593524 /nfs/dbraw/zinc/59/35/24/741593524.db2.gz SIKQQWZQNFYIFV-KURKYZTESA-N 1 2 363.889 2.813 20 30 FFEDLO C#C[C@H](CCC)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000812184899 741593525 /nfs/dbraw/zinc/59/35/25/741593525.db2.gz SIKQQWZQNFYIFV-KURKYZTESA-N 1 2 363.889 2.813 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2csc(C)n2)CC1 ZINC001000691778 742093435 /nfs/dbraw/zinc/09/34/35/742093435.db2.gz AJGWYFOYBDNLIW-MSOLQXFVSA-N 1 2 361.511 2.681 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2csc(C)n2)CC1 ZINC001000691778 742093441 /nfs/dbraw/zinc/09/34/41/742093441.db2.gz AJGWYFOYBDNLIW-MSOLQXFVSA-N 1 2 361.511 2.681 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC001003787618 742215838 /nfs/dbraw/zinc/21/58/38/742215838.db2.gz HTXCROKDWNNAII-WMZOPIPTSA-N 1 2 363.527 2.767 20 30 FFEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC001005524519 742259126 /nfs/dbraw/zinc/25/91/26/742259126.db2.gz KEONMQLAXWUAJH-HIFRSBDPSA-N 1 2 359.308 2.633 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001014801955 742472902 /nfs/dbraw/zinc/47/29/02/742472902.db2.gz RUSYNCXTUPZMGX-NEWSRXKRSA-N 1 2 360.885 2.697 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001014801955 742472904 /nfs/dbraw/zinc/47/29/04/742472904.db2.gz RUSYNCXTUPZMGX-NEWSRXKRSA-N 1 2 360.885 2.697 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001015721397 742478527 /nfs/dbraw/zinc/47/85/27/742478527.db2.gz IHHFUNDQJCBWOW-CPUCHLNUSA-N 1 2 352.837 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001015721397 742478533 /nfs/dbraw/zinc/47/85/33/742478533.db2.gz IHHFUNDQJCBWOW-CPUCHLNUSA-N 1 2 352.837 2.761 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccncc1Cl ZINC001028197851 742790570 /nfs/dbraw/zinc/79/05/70/742790570.db2.gz SPBWYXORBRILSU-BQFCYCMXSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccncc1Cl ZINC001028197851 742790572 /nfs/dbraw/zinc/79/05/72/742790572.db2.gz SPBWYXORBRILSU-BQFCYCMXSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2csc(Cl)n2)C1 ZINC001029845585 742820252 /nfs/dbraw/zinc/82/02/52/742820252.db2.gz LJFXMJSQGAQJGJ-YUELXQCFSA-N 1 2 369.918 2.668 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2csc(Cl)n2)C1 ZINC001029845585 742820260 /nfs/dbraw/zinc/82/02/60/742820260.db2.gz LJFXMJSQGAQJGJ-YUELXQCFSA-N 1 2 369.918 2.668 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001033901063 742902844 /nfs/dbraw/zinc/90/28/44/742902844.db2.gz XFHDEAQFJOQWDN-XHSDSOJGSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001033901063 742902848 /nfs/dbraw/zinc/90/28/48/742902848.db2.gz XFHDEAQFJOQWDN-XHSDSOJGSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cscn1)C2 ZINC001040412687 743004442 /nfs/dbraw/zinc/00/44/42/743004442.db2.gz VJXFAMJHECNPBJ-AOIWGVFYSA-N 1 2 361.511 2.549 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cscn1)C2 ZINC001040412687 743004452 /nfs/dbraw/zinc/00/44/52/743004452.db2.gz VJXFAMJHECNPBJ-AOIWGVFYSA-N 1 2 361.511 2.549 20 30 FFEDLO C#CC[N@@H+](CC[S@](C)=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000827813090 744982596 /nfs/dbraw/zinc/98/25/96/744982596.db2.gz KJKGGBZYBXHKDQ-VLIAUNLRSA-N 1 2 356.285 2.586 20 30 FFEDLO C#CC[N@H+](CC[S@](C)=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000827813090 744982602 /nfs/dbraw/zinc/98/26/02/744982602.db2.gz KJKGGBZYBXHKDQ-VLIAUNLRSA-N 1 2 356.285 2.586 20 30 FFEDLO C#C[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000847028759 748601186 /nfs/dbraw/zinc/60/11/86/748601186.db2.gz KQIRHEISMKTNOV-ZDUSSCGKSA-N 1 2 356.285 2.568 20 30 FFEDLO C#C[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000847028759 748601190 /nfs/dbraw/zinc/60/11/90/748601190.db2.gz KQIRHEISMKTNOV-ZDUSSCGKSA-N 1 2 356.285 2.568 20 30 FFEDLO Fc1ccc(C2OCCO2)c(Cl)c1C=NNCCCn1cc[nH+]c1 ZINC000848417215 748920900 /nfs/dbraw/zinc/92/09/00/748920900.db2.gz PNPVSEXFPWVKNU-UHFFFAOYSA-N 1 2 352.797 2.735 20 30 FFEDLO Nc1nc(Cl)c(C=[NH+]Nc2ccnc(Cl)c2)c(N2CCCC2)n1 ZINC000853394474 750055319 /nfs/dbraw/zinc/05/53/19/750055319.db2.gz QIOAVCAUQGJVOA-UHFFFAOYSA-N 1 2 352.229 2.807 20 30 FFEDLO C#Cc1cccnc1N1CCC[N@@H+](Cc2csc([C@@H](C)OC)n2)CC1 ZINC000853430531 750058117 /nfs/dbraw/zinc/05/81/17/750058117.db2.gz JYLFQVZIBHINDB-OAHLLOKOSA-N 1 2 356.495 2.939 20 30 FFEDLO C#Cc1cccnc1N1CCC[N@H+](Cc2csc([C@@H](C)OC)n2)CC1 ZINC000853430531 750058124 /nfs/dbraw/zinc/05/81/24/750058124.db2.gz JYLFQVZIBHINDB-OAHLLOKOSA-N 1 2 356.495 2.939 20 30 FFEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc(C(=O)OC)c(Br)c2C)C1 ZINC000853536877 750087253 /nfs/dbraw/zinc/08/72/53/750087253.db2.gz JYXKSFBQGXAUNY-GFCCVEGCSA-N 1 2 356.264 2.986 20 30 FFEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc(C(=O)OC)c(Br)c2C)C1 ZINC000853536877 750087256 /nfs/dbraw/zinc/08/72/56/750087256.db2.gz JYXKSFBQGXAUNY-GFCCVEGCSA-N 1 2 356.264 2.986 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C(F)C(F)(F)F)C[C@@H]3C2)cc1 ZINC001087973423 971415666 /nfs/dbraw/zinc/41/56/66/971415666.db2.gz XRCNGXIPADIIPN-PMPSAXMXSA-N 1 2 369.362 2.739 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)C(F)(F)F)C[C@@H]3C2)cc1 ZINC001087973423 971415671 /nfs/dbraw/zinc/41/56/71/971415671.db2.gz XRCNGXIPADIIPN-PMPSAXMXSA-N 1 2 369.362 2.739 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](F)C(F)(F)F)C[C@@H]3C2)cc1 ZINC001087973423 971415676 /nfs/dbraw/zinc/41/56/76/971415676.db2.gz XRCNGXIPADIIPN-PMPSAXMXSA-N 1 2 369.362 2.739 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](F)C(F)(F)F)C[C@@H]3C2)cc1 ZINC001087973423 971415683 /nfs/dbraw/zinc/41/56/83/971415683.db2.gz XRCNGXIPADIIPN-PMPSAXMXSA-N 1 2 369.362 2.739 20 30 FFEDLO C=C(Cl)CN1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]2C1 ZINC001087982516 971456502 /nfs/dbraw/zinc/45/65/02/971456502.db2.gz KFZUTXIPWKBATD-ZBFHGGJFSA-N 1 2 367.946 2.956 20 30 FFEDLO COc1ccc(F)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2 ZINC001095285912 1013091271 /nfs/dbraw/zinc/09/12/71/1013091271.db2.gz WBTIXZZTDVTYKO-RYRKJORJSA-N 1 2 368.412 2.569 20 30 FFEDLO COc1ccc(F)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2 ZINC001095285912 1013091283 /nfs/dbraw/zinc/09/12/83/1013091283.db2.gz WBTIXZZTDVTYKO-RYRKJORJSA-N 1 2 368.412 2.569 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ncoc2C(C)C)C1 ZINC000969692188 959766865 /nfs/dbraw/zinc/76/68/65/959766865.db2.gz LHGGFFVJYRZNIN-KYJSFNMBSA-N 1 2 361.486 2.716 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2noc(CC)n2)C1 ZINC001104231676 960213487 /nfs/dbraw/zinc/21/34/87/960213487.db2.gz MPUAKEGIUJBOIO-NVXWUHKLSA-N 1 2 360.502 2.975 20 30 FFEDLO C=CCN1CC[C@]2(CC[N@@H+](Cc3csc(Br)n3)C2)C1=O ZINC001275964701 1013238392 /nfs/dbraw/zinc/23/83/92/1013238392.db2.gz PGOGTFBQPUCJQT-AWEZNQCLSA-N 1 2 356.289 2.516 20 30 FFEDLO C=CCN1CC[C@]2(CC[N@H+](Cc3csc(Br)n3)C2)C1=O ZINC001275964701 1013238403 /nfs/dbraw/zinc/23/84/03/1013238403.db2.gz PGOGTFBQPUCJQT-AWEZNQCLSA-N 1 2 356.289 2.516 20 30 FFEDLO N#CC[C@H]1CCC[N@@H+](CN2C(=O)C[C@]3(CCc4cc(Cl)ccc43)C2=O)C1 ZINC000872624911 1013239913 /nfs/dbraw/zinc/23/99/13/1013239913.db2.gz YNOYBUUWHVGWLR-VLIAUNLRSA-N 1 2 371.868 2.866 20 30 FFEDLO N#CC[C@H]1CCC[N@H+](CN2C(=O)C[C@]3(CCc4cc(Cl)ccc43)C2=O)C1 ZINC000872624911 1013239922 /nfs/dbraw/zinc/23/99/22/1013239922.db2.gz YNOYBUUWHVGWLR-VLIAUNLRSA-N 1 2 371.868 2.866 20 30 FFEDLO Cn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)c1 ZINC001095308487 1013240446 /nfs/dbraw/zinc/24/04/46/1013240446.db2.gz QCNCNOGANNJFKO-NEWSRXKRSA-N 1 2 352.413 2.571 20 30 FFEDLO Cn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)c1 ZINC001095308487 1013240455 /nfs/dbraw/zinc/24/04/55/1013240455.db2.gz QCNCNOGANNJFKO-NEWSRXKRSA-N 1 2 352.413 2.571 20 30 FFEDLO N#Cc1cccc(CNC(=O)[C@H]2CC23CC[NH+](Cc2cscn2)CC3)c1 ZINC001275967745 1013241753 /nfs/dbraw/zinc/24/17/53/1013241753.db2.gz ZFFUYJPTKJPJAJ-GOSISDBHSA-N 1 2 366.490 2.933 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1C#N ZINC000134950072 961479732 /nfs/dbraw/zinc/47/97/32/961479732.db2.gz JRGOWNHSFXLILR-UHFFFAOYSA-N 1 2 350.397 2.900 20 30 FFEDLO Cc1nc(NCc2cccc(C(=O)NCC#C[C@@H]3CCCCO3)c2)cc[nH+]1 ZINC000891120895 962026706 /nfs/dbraw/zinc/02/67/06/962026706.db2.gz FUEUMXBDRNWCCX-IBGZPJMESA-N 1 2 364.449 2.699 20 30 FFEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@](C)(C(N)=O)C(C)C)[nH+]1 ZINC001167411135 962858181 /nfs/dbraw/zinc/85/81/81/962858181.db2.gz NWPAIGRQLSDFDT-MDVDMJEISA-N 1 2 352.504 2.583 20 30 FFEDLO CC(C)(C)c1cnc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)o1 ZINC001075697933 964224558 /nfs/dbraw/zinc/22/45/58/964224558.db2.gz NFKYQRDHKLYGBK-XJKSGUPXSA-N 1 2 367.453 2.518 20 30 FFEDLO CC(C)(C)c1cnc(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)o1 ZINC001075697933 964224564 /nfs/dbraw/zinc/22/45/64/964224564.db2.gz NFKYQRDHKLYGBK-XJKSGUPXSA-N 1 2 367.453 2.518 20 30 FFEDLO CC(C)n1nccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001095467778 1013486956 /nfs/dbraw/zinc/48/69/56/1013486956.db2.gz ZEYLXAFFSUUBQK-COXVUDFISA-N 1 2 369.494 2.932 20 30 FFEDLO CC(C)n1nccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001095467778 1013486958 /nfs/dbraw/zinc/48/69/58/1013486958.db2.gz ZEYLXAFFSUUBQK-COXVUDFISA-N 1 2 369.494 2.932 20 30 FFEDLO O=C(CCS)N1CC[C@@]2(CCC[C@H]2C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001269872272 964398808 /nfs/dbraw/zinc/39/88/08/964398808.db2.gz HBTHYOUYYWLAIB-LIRRHRJNSA-N 1 2 372.494 2.612 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001087467521 965108316 /nfs/dbraw/zinc/10/83/16/965108316.db2.gz AAMNPDQPEUMYSO-QZTJIDSGSA-N 1 2 367.424 2.912 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001087467521 965108323 /nfs/dbraw/zinc/10/83/23/965108323.db2.gz AAMNPDQPEUMYSO-QZTJIDSGSA-N 1 2 367.424 2.912 20 30 FFEDLO COCCOc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)o1 ZINC000891826290 965166271 /nfs/dbraw/zinc/16/62/71/965166271.db2.gz OOPZTVRMDZZYLH-UHFFFAOYSA-N 1 2 359.401 2.638 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2onc(C)c2C)C1 ZINC001087475037 965570529 /nfs/dbraw/zinc/57/05/29/965570529.db2.gz NARPJVLIQGBBBP-OALUTQOASA-N 1 2 367.449 2.521 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2onc(C)c2C)C1 ZINC001087475037 965570537 /nfs/dbraw/zinc/57/05/37/965570537.db2.gz NARPJVLIQGBBBP-OALUTQOASA-N 1 2 367.449 2.521 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3Cc4ncccc4N4CCC[C@H]4C3)o2)cc1 ZINC000934489392 966560770 /nfs/dbraw/zinc/56/07/70/966560770.db2.gz ZQGWXTBKZONQKY-KRWDZBQOSA-N 1 2 372.432 2.988 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3Cc4ncccc4N4CCC[C@H]4C3)o2)cc1 ZINC000934489392 966560779 /nfs/dbraw/zinc/56/07/79/966560779.db2.gz ZQGWXTBKZONQKY-KRWDZBQOSA-N 1 2 372.432 2.988 20 30 FFEDLO C#C[C@H]1CCCC[N@H+]1Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000934512194 966612234 /nfs/dbraw/zinc/61/22/34/966612234.db2.gz GEWWZTCNSRSYKT-AWEZNQCLSA-N 1 2 357.410 2.750 20 30 FFEDLO C#C[C@H]1CCCC[N@@H+]1Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000934512194 966612240 /nfs/dbraw/zinc/61/22/40/966612240.db2.gz GEWWZTCNSRSYKT-AWEZNQCLSA-N 1 2 357.410 2.750 20 30 FFEDLO CN(CCC#N)c1ccc(CNc2ccc(N3CCOCC3)c[nH+]2)cc1 ZINC000121799147 967141559 /nfs/dbraw/zinc/14/15/59/967141559.db2.gz ROKPRNUXBQBRRT-UHFFFAOYSA-N 1 2 351.454 2.880 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCOC3(C2)CCCCCC3)c1 ZINC001167658295 967317120 /nfs/dbraw/zinc/31/71/20/967317120.db2.gz FHVVRBCKOPQQMU-UHFFFAOYSA-N 1 2 369.465 2.741 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCOC3(C2)CCCCCC3)c1 ZINC001167658295 967317131 /nfs/dbraw/zinc/31/71/31/967317131.db2.gz FHVVRBCKOPQQMU-UHFFFAOYSA-N 1 2 369.465 2.741 20 30 FFEDLO C=C(C)C(=O)NCCCNc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC001167667098 967403198 /nfs/dbraw/zinc/40/31/98/967403198.db2.gz GLMKFFLAHHHZBM-UHFFFAOYSA-N 1 2 362.437 2.824 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001211580664 967489373 /nfs/dbraw/zinc/48/93/73/967489373.db2.gz PNCCXVUZSSLHMH-RBUKOAKNSA-N 1 2 368.506 2.816 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CCN(C)c1nc(C)[nH+]c(C)c1C)C(C)C ZINC001125687243 967668587 /nfs/dbraw/zinc/66/85/87/967668587.db2.gz VSOSPUBWQXZJPC-MSOLQXFVSA-N 1 2 360.502 2.666 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCN(C(=O)CCc3ccc(C)[nH+]c3C)C2)C1=O ZINC001271027223 967977481 /nfs/dbraw/zinc/97/74/81/967977481.db2.gz UIVHGOYFVIZVQV-OAQYLSRUSA-N 1 2 355.482 2.658 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3ccccc3)co1)C2 ZINC001111518064 968019118 /nfs/dbraw/zinc/01/91/18/968019118.db2.gz PTAJKBSWPFUTMV-AQNXPRMDSA-N 1 2 364.445 2.932 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3ccccc3)co1)C2 ZINC001111518064 968019126 /nfs/dbraw/zinc/01/91/26/968019126.db2.gz PTAJKBSWPFUTMV-AQNXPRMDSA-N 1 2 364.445 2.932 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087545424 968019191 /nfs/dbraw/zinc/01/91/91/968019191.db2.gz JDJADYLCFYPDEV-PKOBYXMFSA-N 1 2 365.412 2.680 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087545424 968019202 /nfs/dbraw/zinc/01/92/02/968019202.db2.gz JDJADYLCFYPDEV-PKOBYXMFSA-N 1 2 365.412 2.680 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1F ZINC001111482445 968165483 /nfs/dbraw/zinc/16/54/83/968165483.db2.gz KHTBCKBAUSLUIK-NXHRZFHOSA-N 1 2 350.409 2.779 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1F ZINC001111482445 968165487 /nfs/dbraw/zinc/16/54/87/968165487.db2.gz KHTBCKBAUSLUIK-NXHRZFHOSA-N 1 2 350.409 2.779 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1F ZINC001029402197 968179090 /nfs/dbraw/zinc/17/90/90/968179090.db2.gz MNBMXIHDFNMCBS-RMJJICAUSA-N 1 2 371.456 2.688 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1F ZINC001029402197 968179097 /nfs/dbraw/zinc/17/90/97/968179097.db2.gz MNBMXIHDFNMCBS-RMJJICAUSA-N 1 2 371.456 2.688 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc(C(F)(F)F)nc2)[C@H]1CC ZINC001087616046 968371471 /nfs/dbraw/zinc/37/14/71/968371471.db2.gz BVQYMZVTFRDSOL-NWDGAFQWSA-N 1 2 362.783 2.831 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc(C(F)(F)F)nc2)[C@H]1CC ZINC001087616046 968371478 /nfs/dbraw/zinc/37/14/78/968371478.db2.gz BVQYMZVTFRDSOL-NWDGAFQWSA-N 1 2 362.783 2.831 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cnc(C)n2C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087701878 968659762 /nfs/dbraw/zinc/65/97/62/968659762.db2.gz RTTRPTKNEZFSOY-ZWKOTPCHSA-N 1 2 369.444 2.522 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cnc(C)n2C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087701878 968659767 /nfs/dbraw/zinc/65/97/67/968659767.db2.gz RTTRPTKNEZFSOY-ZWKOTPCHSA-N 1 2 369.444 2.522 20 30 FFEDLO C[C@@H](Nc1nc2c(c(C#N)c1C#N)CCCCCC2)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895246177 968758103 /nfs/dbraw/zinc/75/81/03/968758103.db2.gz MMJGWBOJDUOLFL-QRWLVFNGSA-N 1 2 366.513 2.530 20 30 FFEDLO C[C@@H](Nc1nc2c(c(C#N)c1C#N)CCCCCC2)[C@@H]1CN(C)CC[N@H+]1C ZINC000895246177 968758112 /nfs/dbraw/zinc/75/81/12/968758112.db2.gz MMJGWBOJDUOLFL-QRWLVFNGSA-N 1 2 366.513 2.530 20 30 FFEDLO Cc1cc(C)c(CNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c[nH+]1 ZINC000895255532 968797784 /nfs/dbraw/zinc/79/77/84/968797784.db2.gz ZMABGLAWPXYKNY-LJQANCHMSA-N 1 2 350.422 2.853 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087734161 968814375 /nfs/dbraw/zinc/81/43/75/968814375.db2.gz PTKYQWCMAPZZOH-OBKDMQGPSA-N 1 2 371.456 2.734 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087734161 968814379 /nfs/dbraw/zinc/81/43/79/968814379.db2.gz PTKYQWCMAPZZOH-OBKDMQGPSA-N 1 2 371.456 2.734 20 30 FFEDLO Cc1n[nH]c(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1C ZINC000895259859 968853386 /nfs/dbraw/zinc/85/33/86/968853386.db2.gz QQDAVOHROHAVOU-UHFFFAOYSA-N 1 2 361.453 2.611 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(F)c(F)c1)C2 ZINC001110200572 1013862149 /nfs/dbraw/zinc/86/21/49/1013862149.db2.gz NJAPILXBNZARKO-RLCCDNCMSA-N 1 2 356.800 2.818 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(F)c(F)c1)C2 ZINC001110200572 1013862154 /nfs/dbraw/zinc/86/21/54/1013862154.db2.gz NJAPILXBNZARKO-RLCCDNCMSA-N 1 2 356.800 2.818 20 30 FFEDLO C=CCCC(C)(C)NC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000658978269 969595907 /nfs/dbraw/zinc/59/59/07/969595907.db2.gz VCOJEIDNUPOKIK-MRXNPFEDSA-N 1 2 373.497 2.879 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3noc(C4CC4)n3)C2)C1 ZINC001104656539 970033155 /nfs/dbraw/zinc/03/31/55/970033155.db2.gz DQGIPFVVMXPKRR-GDBMZVCRSA-N 1 2 358.486 2.878 20 30 FFEDLO Cc1cc(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc[nH+]1 ZINC000895526744 970701525 /nfs/dbraw/zinc/70/15/25/970701525.db2.gz RCAISNNLWJHHLX-RDYUPDBUSA-N 1 2 370.453 2.537 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C)no3)CC[C@@H]2C1)c1ccccc1 ZINC001088209755 973678096 /nfs/dbraw/zinc/67/80/96/973678096.db2.gz KKAJJCFVLQUYPV-QYZOEREBSA-N 1 2 366.465 2.628 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C)no3)CC[C@@H]2C1)c1ccccc1 ZINC001088209755 973678105 /nfs/dbraw/zinc/67/81/05/973678105.db2.gz KKAJJCFVLQUYPV-QYZOEREBSA-N 1 2 366.465 2.628 20 30 FFEDLO C=C(C)C(=O)OCCNc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001168071389 974137852 /nfs/dbraw/zinc/13/78/52/974137852.db2.gz YQKRYCYOGMBEJF-VKNPPUGMSA-N 1 2 351.472 2.802 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1oc(C)nc1C)c1ccccc1 ZINC001481371241 974502273 /nfs/dbraw/zinc/50/22/73/974502273.db2.gz TYJTUYWNHIXTOD-QYZOEREBSA-N 1 2 369.465 2.830 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2ccc(F)cn2)CC1(C)C ZINC000977323127 974743273 /nfs/dbraw/zinc/74/32/73/974743273.db2.gz FDXANIGXGOONJS-BZSNNMDCSA-N 1 2 361.461 2.529 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@@H+](Cc2ccc(F)cn2)CC1(C)C ZINC000977323127 974743274 /nfs/dbraw/zinc/74/32/74/974743274.db2.gz FDXANIGXGOONJS-BZSNNMDCSA-N 1 2 361.461 2.529 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001027586242 974946447 /nfs/dbraw/zinc/94/64/47/974946447.db2.gz YHXIUANEABETBY-KURKYZTESA-N 1 2 359.470 2.566 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001027586242 974946451 /nfs/dbraw/zinc/94/64/51/974946451.db2.gz YHXIUANEABETBY-KURKYZTESA-N 1 2 359.470 2.566 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2nc3c(s2)CCC3)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088747028 975718587 /nfs/dbraw/zinc/71/85/87/975718587.db2.gz GGAAYDDNALDDHI-WBVHZDCISA-N 1 2 365.502 2.876 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2nc3c(s2)CCC3)CC[N@H+]1CC#Cc1ccccc1 ZINC001088747028 975718593 /nfs/dbraw/zinc/71/85/93/975718593.db2.gz GGAAYDDNALDDHI-WBVHZDCISA-N 1 2 365.502 2.876 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)COC3CCCCC3)[C@@H]2C1 ZINC001075976145 975889103 /nfs/dbraw/zinc/88/91/03/975889103.db2.gz LUSJNVPXLBFUQB-GOEBONIOSA-N 1 2 371.319 2.777 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)COC3CCCCC3)[C@@H]2C1 ZINC001075976145 975889114 /nfs/dbraw/zinc/88/91/14/975889114.db2.gz LUSJNVPXLBFUQB-GOEBONIOSA-N 1 2 371.319 2.777 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981372223 976498372 /nfs/dbraw/zinc/49/83/72/976498372.db2.gz RPTZWNONANLWPP-QUCCMNQESA-N 1 2 358.457 2.527 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981372223 976498379 /nfs/dbraw/zinc/49/83/79/976498379.db2.gz RPTZWNONANLWPP-QUCCMNQESA-N 1 2 358.457 2.527 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ncoc1C(C)C ZINC001028194987 977093926 /nfs/dbraw/zinc/09/39/26/977093926.db2.gz IBULKSDINPPILV-BQFCYCMXSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncoc1C(C)C ZINC001028194987 977093933 /nfs/dbraw/zinc/09/39/33/977093933.db2.gz IBULKSDINPPILV-BQFCYCMXSA-N 1 2 361.486 2.860 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)nn1 ZINC000653572794 1014379742 /nfs/dbraw/zinc/37/97/42/1014379742.db2.gz ASNOPTAETXONJB-UHFFFAOYSA-N 1 2 353.470 2.557 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(Br)s3)C[C@H]21 ZINC001075616306 977321241 /nfs/dbraw/zinc/32/12/41/977321241.db2.gz ONUAPEGUCMYGPR-GMXVVIOVSA-N 1 2 368.300 2.703 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(Br)s3)C[C@H]21 ZINC001075616306 977321245 /nfs/dbraw/zinc/32/12/45/977321245.db2.gz ONUAPEGUCMYGPR-GMXVVIOVSA-N 1 2 368.300 2.703 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2nc3ccccc3o2)CC1 ZINC000982173846 977323377 /nfs/dbraw/zinc/32/33/77/977323377.db2.gz RSHFMIDUTCZSCX-JXFKEZNVSA-N 1 2 369.465 2.843 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2nc3ccccc3o2)CC1 ZINC000982173846 977323382 /nfs/dbraw/zinc/32/33/82/977323382.db2.gz RSHFMIDUTCZSCX-JXFKEZNVSA-N 1 2 369.465 2.843 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001060091747 977415022 /nfs/dbraw/zinc/41/50/22/977415022.db2.gz QJRAXRHZTDHXGQ-JQHSSLGASA-N 1 2 370.497 2.904 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cc(C3CC3)on2)C1 ZINC001087457387 977879361 /nfs/dbraw/zinc/87/93/61/977879361.db2.gz YEUAYBHWZVIDFC-IEBWSBKVSA-N 1 2 367.424 2.912 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cc(C3CC3)on2)C1 ZINC001087457387 977879381 /nfs/dbraw/zinc/87/93/81/977879381.db2.gz YEUAYBHWZVIDFC-IEBWSBKVSA-N 1 2 367.424 2.912 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2conc2CC)C1 ZINC001087458078 977917434 /nfs/dbraw/zinc/91/74/34/977917434.db2.gz HYQYQQNILFJTSB-YLJYHZDGSA-N 1 2 369.440 2.987 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2conc2CC)C1 ZINC001087458078 977917439 /nfs/dbraw/zinc/91/74/39/977917439.db2.gz HYQYQQNILFJTSB-YLJYHZDGSA-N 1 2 369.440 2.987 20 30 FFEDLO Cc1ccc(N2CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1C ZINC000126264583 978046851 /nfs/dbraw/zinc/04/68/51/978046851.db2.gz PPQZTEYYAQREAP-NQIIRXRSSA-N 1 2 356.514 2.868 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCOC3)[C@@H]2C1 ZINC001075670187 978220179 /nfs/dbraw/zinc/22/01/79/978220179.db2.gz RXIPPKLPORITAN-RIFZZMRRSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCOC3)[C@@H]2C1 ZINC001075670187 978220183 /nfs/dbraw/zinc/22/01/83/978220183.db2.gz RXIPPKLPORITAN-RIFZZMRRSA-N 1 2 371.456 2.547 20 30 FFEDLO COC[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)Cc2nn(CC3CC3)cc21 ZINC001137116383 1014495280 /nfs/dbraw/zinc/49/52/80/1014495280.db2.gz BYMTWASDTUCHJH-GOSISDBHSA-N 1 2 366.465 2.941 20 30 FFEDLO COC[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)Cc2nn(CC3CC3)cc21 ZINC001137116383 1014495285 /nfs/dbraw/zinc/49/52/85/1014495285.db2.gz BYMTWASDTUCHJH-GOSISDBHSA-N 1 2 366.465 2.941 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc[nH]c3C3CC3)[C@@H]2C1 ZINC001076183463 979193515 /nfs/dbraw/zinc/19/35/15/979193515.db2.gz BATASTYVXVKRSB-DZGCQCFKSA-N 1 2 364.287 2.947 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc[nH]c3C3CC3)[C@@H]2C1 ZINC001076183463 979193518 /nfs/dbraw/zinc/19/35/18/979193518.db2.gz BATASTYVXVKRSB-DZGCQCFKSA-N 1 2 364.287 2.947 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001137119435 1014559712 /nfs/dbraw/zinc/55/97/12/1014559712.db2.gz NUXMIFUKFYUIFY-IBGZPJMESA-N 1 2 352.438 2.624 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001137119435 1014559716 /nfs/dbraw/zinc/55/97/16/1014559716.db2.gz NUXMIFUKFYUIFY-IBGZPJMESA-N 1 2 352.438 2.624 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001076262509 979289915 /nfs/dbraw/zinc/28/99/15/979289915.db2.gz HITZCZDQKWAXDZ-RAKLQZGLSA-N 1 2 362.420 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001076262509 979289921 /nfs/dbraw/zinc/28/99/21/979289921.db2.gz HITZCZDQKWAXDZ-RAKLQZGLSA-N 1 2 362.420 2.589 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3ccco3)[C@@H]2C1 ZINC001076351651 979409161 /nfs/dbraw/zinc/40/91/61/979409161.db2.gz CMVSWFYWTDPLBU-DUVNUKRYSA-N 1 2 367.287 2.900 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3ccco3)[C@@H]2C1 ZINC001076351651 979409164 /nfs/dbraw/zinc/40/91/64/979409164.db2.gz CMVSWFYWTDPLBU-DUVNUKRYSA-N 1 2 367.287 2.900 20 30 FFEDLO C[NH+](C)Cc1nc(CSCCNc2cnc(F)c(C#N)c2)cs1 ZINC001168109218 979433396 /nfs/dbraw/zinc/43/33/96/979433396.db2.gz WLFAEJZORJVYSF-UHFFFAOYSA-N 1 2 351.476 2.956 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(CC)n3)C[C@H]21)c1ccccc1 ZINC001076599336 979702190 /nfs/dbraw/zinc/70/21/90/979702190.db2.gz KYZCISSPWRCGDF-SESVDKBCSA-N 1 2 364.493 2.906 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccn(CC)n3)C[C@H]21)c1ccccc1 ZINC001076599336 979702196 /nfs/dbraw/zinc/70/21/96/979702196.db2.gz KYZCISSPWRCGDF-SESVDKBCSA-N 1 2 364.493 2.906 20 30 FFEDLO Cn1ncc2cc(C[NH+]3CCN(c4ccc(C#N)cc4Cl)CC3)cnc21 ZINC000877480467 1014594873 /nfs/dbraw/zinc/59/48/73/1014594873.db2.gz WIUMDYXFECNVAC-UHFFFAOYSA-N 1 2 366.856 2.816 20 30 FFEDLO Cc1ncsc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001088480439 979792264 /nfs/dbraw/zinc/79/22/64/979792264.db2.gz CWFXGDIECJJVMQ-WBMJQRKESA-N 1 2 358.442 2.855 20 30 FFEDLO Cc1ncsc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001088480439 979792269 /nfs/dbraw/zinc/79/22/69/979792269.db2.gz CWFXGDIECJJVMQ-WBMJQRKESA-N 1 2 358.442 2.855 20 30 FFEDLO C=CCC1(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001077141367 980021092 /nfs/dbraw/zinc/02/10/92/980021092.db2.gz HCELMVNRSKRAOI-ARFHVFGLSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCC1(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001077141367 980021100 /nfs/dbraw/zinc/02/11/00/980021100.db2.gz HCELMVNRSKRAOI-ARFHVFGLSA-N 1 2 358.486 2.661 20 30 FFEDLO Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)c1 ZINC001088504904 980211401 /nfs/dbraw/zinc/21/14/01/980211401.db2.gz JHUYTYBWSJHRPH-KUHUBIRLSA-N 1 2 352.413 2.794 20 30 FFEDLO Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)c1 ZINC001088504904 980211406 /nfs/dbraw/zinc/21/14/06/980211406.db2.gz JHUYTYBWSJHRPH-KUHUBIRLSA-N 1 2 352.413 2.794 20 30 FFEDLO Cc1cc(-c2ccc(OCC#N)cn2)ccc1OCC[NH+]1CCOCC1 ZINC000904755025 980333107 /nfs/dbraw/zinc/33/31/07/980333107.db2.gz ZJYWWQXWPKITSM-UHFFFAOYSA-N 1 2 353.422 2.670 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000905535857 980458748 /nfs/dbraw/zinc/45/87/48/980458748.db2.gz DPHRAUWIVHJYML-XFQXTVEOSA-N 1 2 356.397 2.554 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)nn1 ZINC000653577906 980637249 /nfs/dbraw/zinc/63/72/49/980637249.db2.gz LYRJKYDHVXPPLE-UHFFFAOYSA-N 1 2 357.433 2.844 20 30 FFEDLO C=CCC1(C(=O)NCCCCn2cc[nH+]c2)CN(C(=O)OC(C)(C)C)C1 ZINC000906677524 981120217 /nfs/dbraw/zinc/12/02/17/981120217.db2.gz ZZSBKPPSFRYGGE-UHFFFAOYSA-N 1 2 362.474 2.593 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000907069057 981194366 /nfs/dbraw/zinc/19/43/66/981194366.db2.gz KLYCEIJOCMIDRG-PMTKGXAQSA-N 1 2 354.454 2.885 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccncc2Cl)[C@@H]1C ZINC001088576047 981229971 /nfs/dbraw/zinc/22/99/71/981229971.db2.gz UEYSTWWCSNXIMM-WCZJQEMASA-N 1 2 363.889 2.795 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccncc2Cl)[C@@H]1C ZINC001088576047 981229973 /nfs/dbraw/zinc/22/99/73/981229973.db2.gz UEYSTWWCSNXIMM-WCZJQEMASA-N 1 2 363.889 2.795 20 30 FFEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000668609678 981265432 /nfs/dbraw/zinc/26/54/32/981265432.db2.gz DMBIWCUZTNMYEV-WMZOPIPTSA-N 1 2 366.465 2.740 20 30 FFEDLO COc1ccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1OCCCC#N ZINC000246078084 981391108 /nfs/dbraw/zinc/39/11/08/981391108.db2.gz HRUQOMFRVZTGDY-QUCCMNQESA-N 1 2 360.454 2.758 20 30 FFEDLO COc1ccc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1OCCCC#N ZINC000246078084 981391111 /nfs/dbraw/zinc/39/11/11/981391111.db2.gz HRUQOMFRVZTGDY-QUCCMNQESA-N 1 2 360.454 2.758 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1OC ZINC001211992830 981410724 /nfs/dbraw/zinc/41/07/24/981410724.db2.gz YLYZBXDWSUILTD-BMGDILEWSA-N 1 2 366.889 2.637 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1OC ZINC001211992830 981410728 /nfs/dbraw/zinc/41/07/28/981410728.db2.gz YLYZBXDWSUILTD-BMGDILEWSA-N 1 2 366.889 2.637 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(Cl)cc3c2OCC3)C[C@H]1OC ZINC001212022313 981457517 /nfs/dbraw/zinc/45/75/17/981457517.db2.gz LGVZHDGZGKWIHB-IAGOWNOFSA-N 1 2 364.873 2.557 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cc(Cl)cc3c2OCC3)C[C@H]1OC ZINC001212022313 981457520 /nfs/dbraw/zinc/45/75/20/981457520.db2.gz LGVZHDGZGKWIHB-IAGOWNOFSA-N 1 2 364.873 2.557 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccc2Cl)C[C@H]1OC ZINC001212022588 981460121 /nfs/dbraw/zinc/46/01/21/981460121.db2.gz YKSBGYVDNBCOJW-IAGOWNOFSA-N 1 2 352.862 2.630 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccc2Cl)C[C@H]1OC ZINC001212022588 981460125 /nfs/dbraw/zinc/46/01/25/981460125.db2.gz YKSBGYVDNBCOJW-IAGOWNOFSA-N 1 2 352.862 2.630 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)/C=C\C(C)(C)C ZINC001212048295 981477195 /nfs/dbraw/zinc/47/71/95/981477195.db2.gz XZNCEIHPEJPRCD-BTFXCVNISA-N 1 2 359.445 2.615 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)/C=C\C(C)(C)C ZINC001212048295 981477198 /nfs/dbraw/zinc/47/71/98/981477198.db2.gz XZNCEIHPEJPRCD-BTFXCVNISA-N 1 2 359.445 2.615 20 30 FFEDLO C#CCCCc1nnc(N2CCC(Nc3cccc[nH+]3)CC2)n1CC=C ZINC000908725240 981506013 /nfs/dbraw/zinc/50/60/13/981506013.db2.gz SJERRRRHZJTWKS-UHFFFAOYSA-N 1 2 350.470 2.896 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000910780914 982061443 /nfs/dbraw/zinc/06/14/43/982061443.db2.gz KHBSJTVEWHKSHG-OAQYLSRUSA-N 1 2 370.456 2.727 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000910780914 982061453 /nfs/dbraw/zinc/06/14/53/982061453.db2.gz KHBSJTVEWHKSHG-OAQYLSRUSA-N 1 2 370.456 2.727 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C)CC1 ZINC000989731480 982817147 /nfs/dbraw/zinc/81/71/47/982817147.db2.gz IOHIWOQLLHQCBD-NUJGCVRESA-N 1 2 358.486 2.686 20 30 FFEDLO C=CCC1(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CCOCC1 ZINC000912459128 984037447 /nfs/dbraw/zinc/03/74/47/984037447.db2.gz RVFDZKYSYOAJME-UHFFFAOYSA-N 1 2 354.454 2.850 20 30 FFEDLO CCCOc1cccc(CNC(=O)CO[NH+]=C(N)Cc2ccccc2)c1 ZINC000151212622 984215856 /nfs/dbraw/zinc/21/58/56/984215856.db2.gz DPYAVWIZXAVYOV-UHFFFAOYSA-N 1 2 355.438 2.623 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)COc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000764062966 984266231 /nfs/dbraw/zinc/26/62/31/984266231.db2.gz ABRIGWYWCKCASC-ICSRJNTNSA-N 1 2 371.387 2.777 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)COc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000764062966 984266235 /nfs/dbraw/zinc/26/62/35/984266235.db2.gz ABRIGWYWCKCASC-ICSRJNTNSA-N 1 2 371.387 2.777 20 30 FFEDLO C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncnn1CC(C)C)CC2 ZINC001107387380 984497623 /nfs/dbraw/zinc/49/76/23/984497623.db2.gz MCFFCWUHQMBGQZ-WIYYLYMNSA-N 1 2 371.529 2.598 20 30 FFEDLO C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncnn1CC(C)C)CC2 ZINC001107387380 984497626 /nfs/dbraw/zinc/49/76/26/984497626.db2.gz MCFFCWUHQMBGQZ-WIYYLYMNSA-N 1 2 371.529 2.598 20 30 FFEDLO CC[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001212182623 984881593 /nfs/dbraw/zinc/88/15/93/984881593.db2.gz JVJJQJJUORONKN-KFKAGJAMSA-N 1 2 362.901 2.943 20 30 FFEDLO CC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001212182623 984881604 /nfs/dbraw/zinc/88/16/04/984881604.db2.gz JVJJQJJUORONKN-KFKAGJAMSA-N 1 2 362.901 2.943 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2coc(C3CC3)n2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088903291 985399624 /nfs/dbraw/zinc/39/96/24/985399624.db2.gz JFCNGJJGKZADDI-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2coc(C3CC3)n2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088903291 985399636 /nfs/dbraw/zinc/39/96/36/985399636.db2.gz JFCNGJJGKZADDI-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc3c(o2)CCCC3)[C@@H]1C ZINC001088914299 985438607 /nfs/dbraw/zinc/43/86/07/985438607.db2.gz VAULYUGPZWWLBF-OLPIVMHESA-N 1 2 373.497 2.614 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc3c(o2)CCCC3)[C@@H]1C ZINC001088914299 985438614 /nfs/dbraw/zinc/43/86/14/985438614.db2.gz VAULYUGPZWWLBF-OLPIVMHESA-N 1 2 373.497 2.614 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)c(C)o1 ZINC001088915102 985447060 /nfs/dbraw/zinc/44/70/60/985447060.db2.gz JQSAUVQETXTUOV-KDOFPFPSSA-N 1 2 369.440 2.929 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)c(C)o1 ZINC001088915102 985447063 /nfs/dbraw/zinc/44/70/63/985447063.db2.gz JQSAUVQETXTUOV-KDOFPFPSSA-N 1 2 369.440 2.929 20 30 FFEDLO N#Cc1cnc(Nc2ccc[nH+]c2N2CCOCC2)c(Br)c1 ZINC001212352012 985514433 /nfs/dbraw/zinc/51/44/33/985514433.db2.gz DDCFTZUNFJAWOK-UHFFFAOYSA-N 1 2 360.215 2.691 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000669739387 985578845 /nfs/dbraw/zinc/57/88/45/985578845.db2.gz KYMIZYUCUIWFTQ-QGZVFWFLSA-N 1 2 352.438 2.804 20 30 FFEDLO Cc1conc1C(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)[C@@H]1C ZINC001088962729 985640010 /nfs/dbraw/zinc/64/00/10/985640010.db2.gz UOVSZHDZJKOKJN-PBHICJAKSA-N 1 2 357.841 2.881 20 30 FFEDLO Cc1conc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H]1C ZINC001088962729 985640019 /nfs/dbraw/zinc/64/00/19/985640019.db2.gz UOVSZHDZJKOKJN-PBHICJAKSA-N 1 2 357.841 2.881 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3c(F)cccc3F)[C@@H]2C)nc1 ZINC001088988463 985781238 /nfs/dbraw/zinc/78/12/38/985781238.db2.gz XKQPCOYUIUOUQS-ACJLOTCBSA-N 1 2 355.388 2.734 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3c(F)cccc3F)[C@@H]2C)nc1 ZINC001088988463 985781247 /nfs/dbraw/zinc/78/12/47/985781247.db2.gz XKQPCOYUIUOUQS-ACJLOTCBSA-N 1 2 355.388 2.734 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cncc(C)c1 ZINC001032673145 986413564 /nfs/dbraw/zinc/41/35/64/986413564.db2.gz AJQRNWHHMZTDFT-MUGJNUQGSA-N 1 2 355.482 2.546 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cncc(C)c1 ZINC001032673145 986413566 /nfs/dbraw/zinc/41/35/66/986413566.db2.gz AJQRNWHHMZTDFT-MUGJNUQGSA-N 1 2 355.482 2.546 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(Cc3nc([C@H]4C[C@@H]4C)no3)CC2)nn1 ZINC000653779196 986489176 /nfs/dbraw/zinc/48/91/76/986489176.db2.gz PIOBPKXZRTXJOE-YOEHRIQHSA-N 1 2 356.474 2.815 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](Cc2ccc(COC)cc2)C1 ZINC001031077150 987579147 /nfs/dbraw/zinc/57/91/47/987579147.db2.gz IMKNIZXUWVYFFV-PMACEKPBSA-N 1 2 358.482 2.505 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC001031088497 987606219 /nfs/dbraw/zinc/60/62/19/987606219.db2.gz YTARXDAAOZYYBO-IHPCNDPISA-N 1 2 358.457 2.985 20 30 FFEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC001003341533 987931571 /nfs/dbraw/zinc/93/15/71/987931571.db2.gz MLUMDMMEADWRBV-UXHICEINSA-N 1 2 371.456 2.593 20 30 FFEDLO CC(=[NH+]Nc1ccc(S(C)(=O)=O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000914834743 987936451 /nfs/dbraw/zinc/93/64/51/987936451.db2.gz QOGOCGMRRPJWHQ-UHFFFAOYSA-N 1 2 373.478 2.763 20 30 FFEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)c2C1 ZINC001128504233 988759393 /nfs/dbraw/zinc/75/93/93/988759393.db2.gz GWMUACCUOWKDFI-GGPKGHCWSA-N 1 2 374.529 2.853 20 30 FFEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)c2C1 ZINC001128504233 988759403 /nfs/dbraw/zinc/75/94/03/988759403.db2.gz GWMUACCUOWKDFI-GGPKGHCWSA-N 1 2 374.529 2.853 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCc3c(CC(N)=O)cccc3C2)c(OC(F)F)c1 ZINC000879229937 1015421698 /nfs/dbraw/zinc/42/16/98/1015421698.db2.gz DVHIFESNYBBQJV-UHFFFAOYSA-N 1 2 371.387 2.746 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCc3c(CC(N)=O)cccc3C2)c(OC(F)F)c1 ZINC000879229937 1015421707 /nfs/dbraw/zinc/42/17/07/1015421707.db2.gz DVHIFESNYBBQJV-UHFFFAOYSA-N 1 2 371.387 2.746 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)ccc1F ZINC001007975135 1015438100 /nfs/dbraw/zinc/43/81/00/1015438100.db2.gz CZJSXBWGXNAMLA-ZNWBIBPKSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)ccc1F ZINC001007975135 1015438104 /nfs/dbraw/zinc/43/81/04/1015438104.db2.gz CZJSXBWGXNAMLA-ZNWBIBPKSA-N 1 2 371.456 2.593 20 30 FFEDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccc(F)c1 ZINC000763232964 989247543 /nfs/dbraw/zinc/24/75/43/989247543.db2.gz JKPLCWMTLJKCAC-OALUTQOASA-N 1 2 350.397 2.843 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@H](O)c2cccc(C#N)c2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC001168751062 989472256 /nfs/dbraw/zinc/47/22/56/989472256.db2.gz PCJWQGXKLALRNI-RKVPGOIHSA-N 1 2 359.470 2.921 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc(C#N)c2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC001168751062 989472258 /nfs/dbraw/zinc/47/22/58/989472258.db2.gz PCJWQGXKLALRNI-RKVPGOIHSA-N 1 2 359.470 2.921 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001033497601 989627377 /nfs/dbraw/zinc/62/73/77/989627377.db2.gz YEOAFJFPJDBEBT-AOIWGVFYSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001033497601 989627381 /nfs/dbraw/zinc/62/73/81/989627381.db2.gz YEOAFJFPJDBEBT-AOIWGVFYSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000994240042 989714810 /nfs/dbraw/zinc/71/48/10/989714810.db2.gz JHEZRMRYPOCSKA-GDBMZVCRSA-N 1 2 368.481 2.990 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001033954208 989851318 /nfs/dbraw/zinc/85/13/18/989851318.db2.gz MGUQBNJMSWFIFH-JZXOWHBKSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001033954208 989851328 /nfs/dbraw/zinc/85/13/28/989851328.db2.gz MGUQBNJMSWFIFH-JZXOWHBKSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC001034407446 990050481 /nfs/dbraw/zinc/05/04/81/990050481.db2.gz CETKDYSHDDYMMJ-JQHSSLGASA-N 1 2 359.470 2.614 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC001034407446 990050487 /nfs/dbraw/zinc/05/04/87/990050487.db2.gz CETKDYSHDDYMMJ-JQHSSLGASA-N 1 2 359.470 2.614 20 30 FFEDLO CCc1nn(Cc2c[nH+]c(N(C)C)c3ccccc23)c(=O)c(C#N)c1CC ZINC000917000399 990089152 /nfs/dbraw/zinc/08/91/52/990089152.db2.gz URGABYKEOYQMMH-UHFFFAOYSA-N 1 2 361.449 2.902 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(C[NH2+]Cc2cc(C)on2)cc1 ZINC001034826268 990292303 /nfs/dbraw/zinc/29/23/03/990292303.db2.gz GMOKMHKLYDTWMS-PMACEKPBSA-N 1 2 369.465 2.870 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1n1ccnn1 ZINC001129147438 990440042 /nfs/dbraw/zinc/44/00/42/990440042.db2.gz AFHCYWPPSUHBIT-MSOLQXFVSA-N 1 2 371.460 2.561 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1n1ccnn1 ZINC001129147438 990440045 /nfs/dbraw/zinc/44/00/45/990440045.db2.gz AFHCYWPPSUHBIT-MSOLQXFVSA-N 1 2 371.460 2.561 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001063300678 991433828 /nfs/dbraw/zinc/43/38/28/991433828.db2.gz VXGAFMFFLSSWQX-KSZLIROESA-N 1 2 358.486 2.807 20 30 FFEDLO N#Cc1ccc(NCCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)nc1 ZINC001063341525 991455010 /nfs/dbraw/zinc/45/50/10/991455010.db2.gz BSBJCFCJMPVALZ-IAGOWNOFSA-N 1 2 364.453 2.521 20 30 FFEDLO N#Cc1ccc(NCCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)nc1 ZINC001063341525 991455017 /nfs/dbraw/zinc/45/50/17/991455017.db2.gz BSBJCFCJMPVALZ-IAGOWNOFSA-N 1 2 364.453 2.521 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2nc3ccccc3o2)C[C@H]1OC ZINC001212325160 991683640 /nfs/dbraw/zinc/68/36/40/991683640.db2.gz PJQIDCLXJSUTPS-NVXWUHKLSA-N 1 2 357.454 2.746 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2nc3ccccc3o2)C[C@H]1OC ZINC001212325160 991683643 /nfs/dbraw/zinc/68/36/43/991683643.db2.gz PJQIDCLXJSUTPS-NVXWUHKLSA-N 1 2 357.454 2.746 20 30 FFEDLO Cc1cc(N2C[C@@H]3CCN(C(=O)C#CC(C)(C)C)[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC001090313583 991701999 /nfs/dbraw/zinc/70/19/99/991701999.db2.gz NBBQTCCUGGEKPT-DLBZAZTESA-N 1 2 354.498 2.995 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2csc(C)c2C)C1 ZINC001079134511 991822047 /nfs/dbraw/zinc/82/20/47/991822047.db2.gz CEVFNHGJQVXUNS-WOJBJXKFSA-N 1 2 368.502 2.686 20 30 FFEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2csc(C)c2C)C1 ZINC001079134511 991822053 /nfs/dbraw/zinc/82/20/53/991822053.db2.gz CEVFNHGJQVXUNS-WOJBJXKFSA-N 1 2 368.502 2.686 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2occc2C(C)C)C1 ZINC001079141750 991832663 /nfs/dbraw/zinc/83/26/63/991832663.db2.gz WNSOLEIFSNIJEC-WOJBJXKFSA-N 1 2 366.461 2.724 20 30 FFEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2occc2C(C)C)C1 ZINC001079141750 991832671 /nfs/dbraw/zinc/83/26/71/991832671.db2.gz WNSOLEIFSNIJEC-WOJBJXKFSA-N 1 2 366.461 2.724 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1ccccn1 ZINC001079355819 992037245 /nfs/dbraw/zinc/03/72/45/992037245.db2.gz NYPSFRZCRMATGV-DNVCBOLYSA-N 1 2 353.853 2.837 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1ccccn1 ZINC001079355819 992037252 /nfs/dbraw/zinc/03/72/52/992037252.db2.gz NYPSFRZCRMATGV-DNVCBOLYSA-N 1 2 353.853 2.837 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1cccn1C ZINC001079430394 992107423 /nfs/dbraw/zinc/10/74/23/992107423.db2.gz CWGBRYCZRGCTNF-CRAIPNDOSA-N 1 2 355.869 2.780 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1cccn1C ZINC001079430394 992107427 /nfs/dbraw/zinc/10/74/27/992107427.db2.gz CWGBRYCZRGCTNF-CRAIPNDOSA-N 1 2 355.869 2.780 20 30 FFEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001079581518 992224468 /nfs/dbraw/zinc/22/44/68/992224468.db2.gz RUVQMDYZUSQMJY-DVOMOZLQSA-N 1 2 369.469 2.983 20 30 FFEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001079581518 992224480 /nfs/dbraw/zinc/22/44/80/992224480.db2.gz RUVQMDYZUSQMJY-DVOMOZLQSA-N 1 2 369.469 2.983 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)c1ncccc1O ZINC001079609347 992240334 /nfs/dbraw/zinc/24/03/34/992240334.db2.gz AIUQTUKVTSKQIG-RHSMWYFYSA-N 1 2 369.852 2.542 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)c1ncccc1O ZINC001079609347 992240341 /nfs/dbraw/zinc/24/03/41/992240341.db2.gz AIUQTUKVTSKQIG-RHSMWYFYSA-N 1 2 369.852 2.542 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccon2)CC1(C)C ZINC000941087704 992289817 /nfs/dbraw/zinc/28/98/17/992289817.db2.gz QAVJYCSRJOEVSN-BZSNNMDCSA-N 1 2 361.486 2.763 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccon2)CC1(C)C ZINC000941087704 992289822 /nfs/dbraw/zinc/28/98/22/992289822.db2.gz QAVJYCSRJOEVSN-BZSNNMDCSA-N 1 2 361.486 2.763 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C)on2)CC1(C)C ZINC000941091570 992292834 /nfs/dbraw/zinc/29/28/34/992292834.db2.gz XCFFAQDDSKKHRN-KSZLIROESA-N 1 2 361.486 2.681 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)on2)CC1(C)C ZINC000941091570 992292842 /nfs/dbraw/zinc/29/28/42/992292842.db2.gz XCFFAQDDSKKHRN-KSZLIROESA-N 1 2 361.486 2.681 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@H]1CC1(F)F ZINC001079667122 992325486 /nfs/dbraw/zinc/32/54/86/992325486.db2.gz MXESNVOFVFSTRW-XNRPHZJLSA-N 1 2 352.812 2.783 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@H]1CC1(F)F ZINC001079667122 992325497 /nfs/dbraw/zinc/32/54/97/992325497.db2.gz MXESNVOFVFSTRW-XNRPHZJLSA-N 1 2 352.812 2.783 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1CCC1(F)F ZINC001079935094 992565746 /nfs/dbraw/zinc/56/57/46/992565746.db2.gz DOXYSIWDTNWNPG-XFBWCDHKSA-N 1 2 351.372 2.679 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1CCC1(F)F ZINC001079935094 992565755 /nfs/dbraw/zinc/56/57/55/992565755.db2.gz DOXYSIWDTNWNPG-XFBWCDHKSA-N 1 2 351.372 2.679 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001080111543 992744581 /nfs/dbraw/zinc/74/45/81/992744581.db2.gz DOKXQLWBCZRFJT-MRVWCRGKSA-N 1 2 359.308 2.537 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001080111543 992744588 /nfs/dbraw/zinc/74/45/88/992744588.db2.gz DOKXQLWBCZRFJT-MRVWCRGKSA-N 1 2 359.308 2.537 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cc(C2CC2)on1 ZINC001080216867 992835041 /nfs/dbraw/zinc/83/50/41/992835041.db2.gz HJJCDKWRCMPIDX-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cc(C2CC2)on1 ZINC001080216867 992835054 /nfs/dbraw/zinc/83/50/54/992835054.db2.gz HJJCDKWRCMPIDX-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO CC(=O)Nc1ccc2c(c1)C[N@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000880030955 1015738394 /nfs/dbraw/zinc/73/83/94/1015738394.db2.gz ZRCSCWYDAHJBMW-NRFANRHFSA-N 1 2 374.444 2.680 20 30 FFEDLO CC(=O)Nc1ccc2c(c1)C[N@@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000880030955 1015738402 /nfs/dbraw/zinc/73/84/02/1015738402.db2.gz ZRCSCWYDAHJBMW-NRFANRHFSA-N 1 2 374.444 2.680 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(OC)c2C)C1 ZINC001080517314 993117754 /nfs/dbraw/zinc/11/77/54/993117754.db2.gz WNULQOZFRBWIEY-IAQYHMDHSA-N 1 2 367.287 2.962 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(OC)c2C)C1 ZINC001080517314 993117757 /nfs/dbraw/zinc/11/77/57/993117757.db2.gz WNULQOZFRBWIEY-IAQYHMDHSA-N 1 2 367.287 2.962 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cccc(OC)c2)C1 ZINC001080883695 993453653 /nfs/dbraw/zinc/45/36/53/993453653.db2.gz NXOGGGLKASOPNY-MLGOLLRUSA-N 1 2 367.287 2.583 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cccc(OC)c2)C1 ZINC001080883695 993453657 /nfs/dbraw/zinc/45/36/57/993453657.db2.gz NXOGGGLKASOPNY-MLGOLLRUSA-N 1 2 367.287 2.583 20 30 FFEDLO Cc1nccc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]2C)n1 ZINC001080962010 993517596 /nfs/dbraw/zinc/51/75/96/993517596.db2.gz JAIKDFSONGHNJH-AUUYWEPGSA-N 1 2 368.868 2.540 20 30 FFEDLO Cc1nccc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]2C)n1 ZINC001080962010 993517602 /nfs/dbraw/zinc/51/76/02/993517602.db2.gz JAIKDFSONGHNJH-AUUYWEPGSA-N 1 2 368.868 2.540 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)[C@@H]1CC1(C)C ZINC001081548475 993888594 /nfs/dbraw/zinc/88/85/94/993888594.db2.gz RKRSRSRNCAJPMR-RCCFBDPRSA-N 1 2 360.885 2.553 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)[C@@H]1CC1(C)C ZINC001081548475 993888599 /nfs/dbraw/zinc/88/85/99/993888599.db2.gz RKRSRSRNCAJPMR-RCCFBDPRSA-N 1 2 360.885 2.553 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C(C)=C1CCC1 ZINC001081647806 993909203 /nfs/dbraw/zinc/90/92/03/993909203.db2.gz IDXWOHJXQXAKIZ-RTBURBONSA-N 1 2 357.429 2.513 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C(C)=C1CCC1 ZINC001081647806 993909211 /nfs/dbraw/zinc/90/92/11/993909211.db2.gz IDXWOHJXQXAKIZ-RTBURBONSA-N 1 2 357.429 2.513 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001081933465 994054318 /nfs/dbraw/zinc/05/43/18/994054318.db2.gz DUHUEHIDHCSDHN-QBPKDAKJSA-N 1 2 361.511 2.617 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001081933465 994054326 /nfs/dbraw/zinc/05/43/26/994054326.db2.gz DUHUEHIDHCSDHN-QBPKDAKJSA-N 1 2 361.511 2.617 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C1(C)CCCC1 ZINC001081997573 994093667 /nfs/dbraw/zinc/09/36/67/994093667.db2.gz FSWCYKKDKWMPBT-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C1(C)CCCC1 ZINC001081997573 994093677 /nfs/dbraw/zinc/09/36/77/994093677.db2.gz FSWCYKKDKWMPBT-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3nc4ccccc4o3)C[C@H]2OC)CC1 ZINC001082096988 994154321 /nfs/dbraw/zinc/15/43/21/994154321.db2.gz OIBFTCYYJCTDAV-IEBWSBKVSA-N 1 2 369.465 2.890 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3nc4ccccc4o3)C[C@H]2OC)CC1 ZINC001082096988 994154326 /nfs/dbraw/zinc/15/43/26/994154326.db2.gz OIBFTCYYJCTDAV-IEBWSBKVSA-N 1 2 369.465 2.890 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001082152291 994210329 /nfs/dbraw/zinc/21/03/29/994210329.db2.gz CJXJZINMQUCKPN-HNBVOPMISA-N 1 2 373.472 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001082152291 994210339 /nfs/dbraw/zinc/21/03/39/994210339.db2.gz CJXJZINMQUCKPN-HNBVOPMISA-N 1 2 373.472 2.695 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000809701818 994584630 /nfs/dbraw/zinc/58/46/30/994584630.db2.gz LZVRDPFSHGOJPE-UHFFFAOYSA-N 1 2 362.382 2.973 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000809701818 994584645 /nfs/dbraw/zinc/58/46/45/994584645.db2.gz LZVRDPFSHGOJPE-UHFFFAOYSA-N 1 2 362.382 2.973 20 30 FFEDLO C#Cc1cccc(N=c2scc(-c3cnn(C)c3)n2Cc2c[nH+]cn2C)c1 ZINC000809937250 994643046 /nfs/dbraw/zinc/64/30/46/994643046.db2.gz MMBSNOKTFYIGPT-UHFFFAOYSA-N 1 2 374.473 2.946 20 30 FFEDLO C=C(C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001053826049 1015887008 /nfs/dbraw/zinc/88/70/08/1015887008.db2.gz IQWCDJSANCFTIK-CWQOZTLDSA-N 1 2 370.497 2.755 20 30 FFEDLO C=C(C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001053826049 1015887022 /nfs/dbraw/zinc/88/70/22/1015887022.db2.gz IQWCDJSANCFTIK-CWQOZTLDSA-N 1 2 370.497 2.755 20 30 FFEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1)CO2 ZINC001053929585 1015905469 /nfs/dbraw/zinc/90/54/69/1015905469.db2.gz DHNNWZIYEQJZNJ-NJDAHSKKSA-N 1 2 366.505 2.943 20 30 FFEDLO N#CCOc1cccc(CC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001132815821 995148700 /nfs/dbraw/zinc/14/87/00/995148700.db2.gz UXQFADJVERKBLK-FQEVSTJZSA-N 1 2 360.417 2.886 20 30 FFEDLO N#Cc1c2c(cn(C[N@@H+]3CC[C@]4(C3)CCc3ccccc3O4)c1=O)CCC2 ZINC000811781462 995241223 /nfs/dbraw/zinc/24/12/23/995241223.db2.gz BLCUCUYKNJBDJM-QFIPXVFZSA-N 1 2 361.445 2.636 20 30 FFEDLO N#Cc1c2c(cn(C[N@H+]3CC[C@]4(C3)CCc3ccccc3O4)c1=O)CCC2 ZINC000811781462 995241235 /nfs/dbraw/zinc/24/12/35/995241235.db2.gz BLCUCUYKNJBDJM-QFIPXVFZSA-N 1 2 361.445 2.636 20 30 FFEDLO C#C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(F)cc1 ZINC000812872092 995555594 /nfs/dbraw/zinc/55/55/94/995555594.db2.gz MMQDTTOKKZBCKY-SFHVURJKSA-N 1 2 352.413 2.995 20 30 FFEDLO CC[C@@H](C)C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001083005693 996022358 /nfs/dbraw/zinc/02/23/58/996022358.db2.gz IBYKUHRFDDASGI-AYOQOUSVSA-N 1 2 360.885 2.649 20 30 FFEDLO CC[C@@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001083005693 996022363 /nfs/dbraw/zinc/02/23/63/996022363.db2.gz IBYKUHRFDDASGI-AYOQOUSVSA-N 1 2 360.885 2.649 20 30 FFEDLO Cc1csc(C(=O)N2CCO[C@@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@H]32)c1 ZINC001083074294 996028103 /nfs/dbraw/zinc/02/81/03/996028103.db2.gz NLOUNVHACNLROC-ZWKOTPCHSA-N 1 2 367.474 2.654 20 30 FFEDLO Cc1csc(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@@H]32)c1 ZINC001083074294 996028105 /nfs/dbraw/zinc/02/81/05/996028105.db2.gz NLOUNVHACNLROC-ZWKOTPCHSA-N 1 2 367.474 2.654 20 30 FFEDLO CC(C)c1ccsc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001084083611 996234522 /nfs/dbraw/zinc/23/45/22/996234522.db2.gz RDZISGYRHBJOGM-MSOLQXFVSA-N 1 2 369.490 2.718 20 30 FFEDLO CC(C)c1ccsc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001084083611 996234527 /nfs/dbraw/zinc/23/45/27/996234527.db2.gz RDZISGYRHBJOGM-MSOLQXFVSA-N 1 2 369.490 2.718 20 30 FFEDLO CC1(C)CCC(CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)CC1 ZINC001084129903 996265552 /nfs/dbraw/zinc/26/55/52/996265552.db2.gz AEPBFKUFYQMQMW-RTWAWAEBSA-N 1 2 368.521 2.806 20 30 FFEDLO CC1(C)CCC(CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)CC1 ZINC001084129903 996265557 /nfs/dbraw/zinc/26/55/57/996265557.db2.gz AEPBFKUFYQMQMW-RTWAWAEBSA-N 1 2 368.521 2.806 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)CCc4ccco4)[C@@H]3C2)c1 ZINC001084182646 996313429 /nfs/dbraw/zinc/31/34/29/996313429.db2.gz FTSIJCBQVGKZFW-OXQOHEQNSA-N 1 2 367.424 2.956 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)CCc4ccco4)[C@@H]3C2)c1 ZINC001084182646 996313432 /nfs/dbraw/zinc/31/34/32/996313432.db2.gz FTSIJCBQVGKZFW-OXQOHEQNSA-N 1 2 367.424 2.956 20 30 FFEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@H]21 ZINC001084233014 996381979 /nfs/dbraw/zinc/38/19/79/996381979.db2.gz PZLANEOVMWHMMU-FRFSOERESA-N 1 2 368.412 2.673 20 30 FFEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@H]21 ZINC001084233014 996381984 /nfs/dbraw/zinc/38/19/84/996381984.db2.gz PZLANEOVMWHMMU-FRFSOERESA-N 1 2 368.412 2.673 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccc(F)nc4)[C@@H]3C2)c1 ZINC001084237224 996386971 /nfs/dbraw/zinc/38/69/71/996386971.db2.gz CWTBUQCQBNMVMU-CRAIPNDOSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(F)nc4)[C@@H]3C2)c1 ZINC001084237224 996386977 /nfs/dbraw/zinc/38/69/77/996386977.db2.gz CWTBUQCQBNMVMU-CRAIPNDOSA-N 1 2 368.387 2.578 20 30 FFEDLO CCc1nc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)co1 ZINC001084294594 996399885 /nfs/dbraw/zinc/39/98/85/996399885.db2.gz XQUIATYWYGQNDU-RDTXWAMCSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)co1 ZINC001084294594 996399889 /nfs/dbraw/zinc/39/98/89/996399889.db2.gz XQUIATYWYGQNDU-RDTXWAMCSA-N 1 2 368.412 2.594 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(F)ccc4F)C[C@H]32)c1 ZINC001084261256 996406126 /nfs/dbraw/zinc/40/61/26/996406126.db2.gz BCOCRMLJZGOQMU-FZKQIMNGSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(F)ccc4F)C[C@H]32)c1 ZINC001084261256 996406131 /nfs/dbraw/zinc/40/61/31/996406131.db2.gz BCOCRMLJZGOQMU-FZKQIMNGSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@@H+](Cc4c(F)cccc4F)C[C@H]32)c1 ZINC001084261522 996407085 /nfs/dbraw/zinc/40/70/85/996407085.db2.gz NGBRWYUXXVVRBT-FZKQIMNGSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@H+](Cc4c(F)cccc4F)C[C@H]32)c1 ZINC001084261522 996407088 /nfs/dbraw/zinc/40/70/88/996407088.db2.gz NGBRWYUXXVVRBT-FZKQIMNGSA-N 1 2 356.376 2.511 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)co1 ZINC001084303571 996434670 /nfs/dbraw/zinc/43/46/70/996434670.db2.gz LFYDTDKZRSYPGC-DNVCBOLYSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)co1 ZINC001084303571 996434672 /nfs/dbraw/zinc/43/46/72/996434672.db2.gz LFYDTDKZRSYPGC-DNVCBOLYSA-N 1 2 353.397 2.945 20 30 FFEDLO CCCc1n[nH]cc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084473079 996585566 /nfs/dbraw/zinc/58/55/66/996585566.db2.gz HEMSEGOOWVFEJM-FZKQIMNGSA-N 1 2 369.494 2.642 20 30 FFEDLO CCCc1n[nH]cc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084473079 996585567 /nfs/dbraw/zinc/58/55/67/996585567.db2.gz HEMSEGOOWVFEJM-FZKQIMNGSA-N 1 2 369.494 2.642 20 30 FFEDLO Cc1cnc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)c(C)c1 ZINC001084537295 996658422 /nfs/dbraw/zinc/65/84/22/996658422.db2.gz QOPPKNUDGSVBNZ-CRAIPNDOSA-N 1 2 366.490 2.978 20 30 FFEDLO Cc1cnc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)c(C)c1 ZINC001084537295 996658425 /nfs/dbraw/zinc/65/84/25/996658425.db2.gz QOPPKNUDGSVBNZ-CRAIPNDOSA-N 1 2 366.490 2.978 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3cc(C)ccc3C)C[C@H]21 ZINC001084574773 996703561 /nfs/dbraw/zinc/70/35/61/996703561.db2.gz LUDKDVXVYLGCFC-IEBWSBKVSA-N 1 2 369.509 2.987 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3cc(C)ccc3C)C[C@H]21 ZINC001084574773 996703564 /nfs/dbraw/zinc/70/35/64/996703564.db2.gz LUDKDVXVYLGCFC-IEBWSBKVSA-N 1 2 369.509 2.987 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)cs1 ZINC001084605138 996712164 /nfs/dbraw/zinc/71/21/64/996712164.db2.gz ASHQKTJZQOEYAQ-CRAIPNDOSA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)cs1 ZINC001084605138 996712168 /nfs/dbraw/zinc/71/21/68/996712168.db2.gz ASHQKTJZQOEYAQ-CRAIPNDOSA-N 1 2 370.453 2.809 20 30 FFEDLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCN(c2ccc(C#N)cc2)CC1 ZINC000730085504 996820781 /nfs/dbraw/zinc/82/07/81/996820781.db2.gz KAXRYBGHYMHHSC-UHFFFAOYSA-N 1 2 361.453 2.780 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)c4ccccc34)[C@@H]2C1 ZINC001084703601 996965854 /nfs/dbraw/zinc/96/58/54/996965854.db2.gz GWBIYAGMNUAQPP-CXAGYDPISA-N 1 2 357.841 2.839 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)c4ccccc34)[C@@H]2C1 ZINC001084703601 996965863 /nfs/dbraw/zinc/96/58/63/996965863.db2.gz GWBIYAGMNUAQPP-CXAGYDPISA-N 1 2 357.841 2.839 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CCN1Cc1c[nH+]c2c(C)cccn12 ZINC001136962936 997134980 /nfs/dbraw/zinc/13/49/80/997134980.db2.gz FGHUUGGNSDDXAJ-SFHVURJKSA-N 1 2 351.454 2.678 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cnc3c(C)cccn13)CCC2 ZINC001136959451 997142495 /nfs/dbraw/zinc/14/24/95/997142495.db2.gz ISPHMWYXJQJJIP-UHFFFAOYSA-N 1 2 351.454 2.948 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cnc3c(C)cccn13)CCC2 ZINC001136959451 997142510 /nfs/dbraw/zinc/14/25/10/997142510.db2.gz ISPHMWYXJQJJIP-UHFFFAOYSA-N 1 2 351.454 2.948 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC4CCCC4)c3)[C@@H]2C1 ZINC001084744032 997166455 /nfs/dbraw/zinc/16/64/55/997166455.db2.gz RALIVXWWQZFXEV-SJLPKXTDSA-N 1 2 362.905 2.972 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC4CCCC4)c3)[C@@H]2C1 ZINC001084744032 997166466 /nfs/dbraw/zinc/16/64/66/997166466.db2.gz RALIVXWWQZFXEV-SJLPKXTDSA-N 1 2 362.905 2.972 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnc(OC4CCC4)c3)[C@@H]2C1 ZINC001084746771 997177974 /nfs/dbraw/zinc/17/79/74/997177974.db2.gz MFLLPVQANUYQGR-NVXWUHKLSA-N 1 2 361.873 2.912 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccnc(OC4CCC4)c3)[C@@H]2C1 ZINC001084746771 997177979 /nfs/dbraw/zinc/17/79/79/997177979.db2.gz MFLLPVQANUYQGR-NVXWUHKLSA-N 1 2 361.873 2.912 20 30 FFEDLO CCc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)no1 ZINC001084783180 997351566 /nfs/dbraw/zinc/35/15/66/997351566.db2.gz DGMUDYJYAFZWJQ-DNVCBOLYSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)no1 ZINC001084783180 997351576 /nfs/dbraw/zinc/35/15/76/997351576.db2.gz DGMUDYJYAFZWJQ-DNVCBOLYSA-N 1 2 368.412 2.594 20 30 FFEDLO Cn1cc(N2C[C@]3(CC[N@H+](Cc4c(Cl)cccc4C#N)C3)CC2=O)cn1 ZINC001143723072 997600699 /nfs/dbraw/zinc/60/06/99/997600699.db2.gz BIGSTJZUCDFCHN-LJQANCHMSA-N 1 2 369.856 2.574 20 30 FFEDLO Cn1cc(N2C[C@]3(CC[N@@H+](Cc4c(Cl)cccc4C#N)C3)CC2=O)cn1 ZINC001143723072 997600704 /nfs/dbraw/zinc/60/07/04/997600704.db2.gz BIGSTJZUCDFCHN-LJQANCHMSA-N 1 2 369.856 2.574 20 30 FFEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC2(C[C@H]2C(=O)N2CCOCC2)CC1 ZINC001143724026 997603106 /nfs/dbraw/zinc/60/31/06/997603106.db2.gz UKJRGCOPTUHJBU-KRWDZBQOSA-N 1 2 373.884 2.673 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3cnc(C)nc3)C[C@H]21)c1ccccc1 ZINC001084847442 997631893 /nfs/dbraw/zinc/63/18/93/997631893.db2.gz VYYJMHOBIGKFQB-NJDAHSKKSA-N 1 2 362.477 2.788 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3cnc(C)nc3)C[C@H]21)c1ccccc1 ZINC001084847442 997631904 /nfs/dbraw/zinc/63/19/04/997631904.db2.gz VYYJMHOBIGKFQB-NJDAHSKKSA-N 1 2 362.477 2.788 20 30 FFEDLO Cc1sc2nc(C[N@H+](C)C[C@H](O)c3cccc(C#N)c3)nc(N)c2c1C ZINC000844365987 997836304 /nfs/dbraw/zinc/83/63/04/997836304.db2.gz KPXNRWMSQFFAFZ-HNNXBMFYSA-N 1 2 367.478 2.927 20 30 FFEDLO Cc1sc2nc(C[N@@H+](C)C[C@H](O)c3cccc(C#N)c3)nc(N)c2c1C ZINC000844365987 997836316 /nfs/dbraw/zinc/83/63/16/997836316.db2.gz KPXNRWMSQFFAFZ-HNNXBMFYSA-N 1 2 367.478 2.927 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)C[C@H](O)c2cccc(C#N)c2)c(C#N)c1C ZINC000844366014 997836517 /nfs/dbraw/zinc/83/65/17/997836517.db2.gz KQYMLYPRKCQBDR-UGSOOPFHSA-N 1 2 366.421 2.632 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c(C#N)c1C ZINC000844366014 997836532 /nfs/dbraw/zinc/83/65/32/997836532.db2.gz KQYMLYPRKCQBDR-UGSOOPFHSA-N 1 2 366.421 2.632 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1OC ZINC001090940263 997888300 /nfs/dbraw/zinc/88/83/00/997888300.db2.gz ACJGKZKBQHOJQS-QINHECLXSA-N 1 2 360.502 2.831 20 30 FFEDLO CCc1cc(C(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)n[nH]1 ZINC001084893347 997919332 /nfs/dbraw/zinc/91/93/32/997919332.db2.gz ZCAYUHVQPIBUKB-NQIIRXRSSA-N 1 2 362.477 2.560 20 30 FFEDLO CCc1cc(C(=O)N2CC[C@H]3CC[N@@H+](CC#Cc4ccccc4)[C@H]3C2)n[nH]1 ZINC001084893347 997919339 /nfs/dbraw/zinc/91/93/39/997919339.db2.gz ZCAYUHVQPIBUKB-NQIIRXRSSA-N 1 2 362.477 2.560 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3cncs3)C[C@@H]21 ZINC001084898447 997936257 /nfs/dbraw/zinc/93/62/57/997936257.db2.gz NVTMKWJHHPXRLH-PBHICJAKSA-N 1 2 352.463 2.751 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cncs3)C[C@@H]21 ZINC001084898447 997936267 /nfs/dbraw/zinc/93/62/67/997936267.db2.gz NVTMKWJHHPXRLH-PBHICJAKSA-N 1 2 352.463 2.751 20 30 FFEDLO CCn1ncc2c1C[N@H+](Cc1cncc(C#N)c1)C[C@@H]2COCC1CC1 ZINC001144075662 997991194 /nfs/dbraw/zinc/99/11/94/997991194.db2.gz SEZRTCWKSQVLKD-GOSISDBHSA-N 1 2 351.454 2.696 20 30 FFEDLO CCn1ncc2c1C[N@@H+](Cc1cncc(C#N)c1)C[C@@H]2COCC1CC1 ZINC001144075662 997991201 /nfs/dbraw/zinc/99/12/01/997991201.db2.gz SEZRTCWKSQVLKD-GOSISDBHSA-N 1 2 351.454 2.696 20 30 FFEDLO C[C@@]1(c2cccc(F)c2)CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000844716043 998087718 /nfs/dbraw/zinc/08/77/18/998087718.db2.gz CITQHCOWOFXXHG-OAQYLSRUSA-N 1 2 351.425 2.969 20 30 FFEDLO C[C@@]1(c2cccc(F)c2)CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000844716043 998087729 /nfs/dbraw/zinc/08/77/29/998087729.db2.gz CITQHCOWOFXXHG-OAQYLSRUSA-N 1 2 351.425 2.969 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](Cc4cscn4)[C@H]3C2)cc1 ZINC001085003311 998642661 /nfs/dbraw/zinc/64/26/61/998642661.db2.gz BJIIVTHXEXOEJS-APWZRJJASA-N 1 2 351.475 2.861 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cscn4)[C@H]3C2)cc1 ZINC001085003311 998642663 /nfs/dbraw/zinc/64/26/63/998642663.db2.gz BJIIVTHXEXOEJS-APWZRJJASA-N 1 2 351.475 2.861 20 30 FFEDLO C=C(C)CCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)CC1 ZINC001065713901 999125154 /nfs/dbraw/zinc/12/51/54/999125154.db2.gz YKOUKXNFCNFGRB-CEXWTWQISA-N 1 2 361.530 2.524 20 30 FFEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)CC1 ZINC001065709543 999125446 /nfs/dbraw/zinc/12/54/46/999125446.db2.gz WPGUGJZBGPZZHA-LWYYNNOASA-N 1 2 373.541 2.524 20 30 FFEDLO CC(C)CN(CCC#N)C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000735468328 999433257 /nfs/dbraw/zinc/43/32/57/999433257.db2.gz LMSWLVDDUOPTQW-KRWDZBQOSA-N 1 2 360.477 2.734 20 30 FFEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)COc1cccc(C#N)c1 ZINC000737648406 999604730 /nfs/dbraw/zinc/60/47/30/999604730.db2.gz UGBOMKINXJMASW-UHFFFAOYSA-N 1 2 365.433 2.716 20 30 FFEDLO CC[N@H+](C)[C@H](C(=O)OCC(=O)N(CC#N)c1ccccc1)c1ccccc1 ZINC000741151037 999712277 /nfs/dbraw/zinc/71/22/77/999712277.db2.gz SMJLDCTYAYTFGQ-FQEVSTJZSA-N 1 2 365.433 2.779 20 30 FFEDLO CC[N@@H+](C)[C@H](C(=O)OCC(=O)N(CC#N)c1ccccc1)c1ccccc1 ZINC000741151037 999712282 /nfs/dbraw/zinc/71/22/82/999712282.db2.gz SMJLDCTYAYTFGQ-FQEVSTJZSA-N 1 2 365.433 2.779 20 30 FFEDLO CN(C)c1nccc(N=NC2CCN(c3ccc([NH+](C)C)cc3)CC2)n1 ZINC000741459875 999728549 /nfs/dbraw/zinc/72/85/49/999728549.db2.gz GFIXJMBAEKXRMC-UHFFFAOYSA-N 1 2 353.474 2.677 20 30 FFEDLO N#Cc1ccc(F)c(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000743527551 999822340 /nfs/dbraw/zinc/82/23/40/999822340.db2.gz PQEFCBDMRLMXHM-UHFFFAOYSA-N 1 2 363.396 2.942 20 30 FFEDLO COC(=O)n1ncc(C#N)c1Nc1c[nH+]c2c(Br)cccn12 ZINC001169968220 1000088917 /nfs/dbraw/zinc/08/89/17/1000088917.db2.gz LWICJNCZLJEQIV-UHFFFAOYSA-N 1 2 361.159 2.523 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)s1)C2 ZINC001108871687 1000122930 /nfs/dbraw/zinc/12/29/30/1000122930.db2.gz KIJCIVMZRGMBQA-IKGGRYGDSA-N 1 2 373.522 2.592 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)s1)C2 ZINC001108871687 1000122935 /nfs/dbraw/zinc/12/29/35/1000122935.db2.gz KIJCIVMZRGMBQA-IKGGRYGDSA-N 1 2 373.522 2.592 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000767813443 1000148540 /nfs/dbraw/zinc/14/85/40/1000148540.db2.gz BUMDGOJHGNCAGE-KRWDZBQOSA-N 1 2 352.438 2.521 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109037901 1000157178 /nfs/dbraw/zinc/15/71/78/1000157178.db2.gz GTWAPUIIQODLMB-KTGNWYGMSA-N 1 2 371.456 2.900 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109037901 1000157179 /nfs/dbraw/zinc/15/71/79/1000157179.db2.gz GTWAPUIIQODLMB-KTGNWYGMSA-N 1 2 371.456 2.900 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)cc1F ZINC001109273989 1000215350 /nfs/dbraw/zinc/21/53/50/1000215350.db2.gz ZYEYVIGFJXIDGX-NJAFHUGGSA-N 1 2 364.848 2.741 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)cc1F ZINC001109273989 1000215353 /nfs/dbraw/zinc/21/53/53/1000215353.db2.gz ZYEYVIGFJXIDGX-NJAFHUGGSA-N 1 2 364.848 2.741 20 30 FFEDLO C[C@@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC001144781850 1000276167 /nfs/dbraw/zinc/27/61/67/1000276167.db2.gz VPNXWXFJBFAAAO-MNOVXSKESA-N 1 2 356.253 2.704 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)CCC ZINC001109344892 1000304401 /nfs/dbraw/zinc/30/44/01/1000304401.db2.gz JRLWKWVPIZZVOP-OJLVUWQFSA-N 1 2 369.937 2.791 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)CCC ZINC001109344892 1000304405 /nfs/dbraw/zinc/30/44/05/1000304405.db2.gz JRLWKWVPIZZVOP-OJLVUWQFSA-N 1 2 369.937 2.791 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001091281634 1000365864 /nfs/dbraw/zinc/36/58/64/1000365864.db2.gz LSVVTVLIXPPZLX-BRWVUGGUSA-N 1 2 358.486 2.786 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@H+]([C@H](C)Cc1cccc(C#N)c1)[C@H]2C ZINC001171232396 1000373325 /nfs/dbraw/zinc/37/33/25/1000373325.db2.gz REVLTWVTOSOEPQ-CABCVRRESA-N 1 2 352.438 2.939 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@H](C)Cc1cccc(C#N)c1)[C@H]2C ZINC001171232396 1000373329 /nfs/dbraw/zinc/37/33/29/1000373329.db2.gz REVLTWVTOSOEPQ-CABCVRRESA-N 1 2 352.438 2.939 20 30 FFEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C1 ZINC000847033911 1000525819 /nfs/dbraw/zinc/52/58/19/1000525819.db2.gz QKHAYNDFYUTPIV-NVXWUHKLSA-N 1 2 351.406 2.896 20 30 FFEDLO C#C[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C1 ZINC000847033911 1000525824 /nfs/dbraw/zinc/52/58/24/1000525824.db2.gz QKHAYNDFYUTPIV-NVXWUHKLSA-N 1 2 351.406 2.896 20 30 FFEDLO CCCCCCCC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001111435310 1016435552 /nfs/dbraw/zinc/43/55/52/1016435552.db2.gz IFGIVXMWILAOPS-MLHJIOFPSA-N 1 2 351.535 2.841 20 30 FFEDLO CCCCCCCC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001111435310 1016435560 /nfs/dbraw/zinc/43/55/60/1016435560.db2.gz IFGIVXMWILAOPS-MLHJIOFPSA-N 1 2 351.535 2.841 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC1=CCCCC1 ZINC001109605716 1000716137 /nfs/dbraw/zinc/71/61/37/1000716137.db2.gz OBDIOKHSSDSMTG-QYZOEREBSA-N 1 2 373.541 2.927 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC1=CCCCC1 ZINC001109605716 1000716144 /nfs/dbraw/zinc/71/61/44/1000716144.db2.gz OBDIOKHSSDSMTG-QYZOEREBSA-N 1 2 373.541 2.927 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cccc(C)c1 ZINC001109627453 1000740995 /nfs/dbraw/zinc/74/09/95/1000740995.db2.gz SCRLZNONBIQJIC-AABGKKOBSA-N 1 2 367.493 2.849 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cccc(C)c1 ZINC001109627453 1000740999 /nfs/dbraw/zinc/74/09/99/1000740999.db2.gz SCRLZNONBIQJIC-AABGKKOBSA-N 1 2 367.493 2.849 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001109635672 1000760344 /nfs/dbraw/zinc/76/03/44/1000760344.db2.gz NBIPVJCGSKKQSR-RNQOJCNYSA-N 1 2 369.509 2.973 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001109635672 1000760351 /nfs/dbraw/zinc/76/03/51/1000760351.db2.gz NBIPVJCGSKKQSR-RNQOJCNYSA-N 1 2 369.509 2.973 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3occc3s1)C2 ZINC001109714736 1000883313 /nfs/dbraw/zinc/88/33/13/1000883313.db2.gz USMUREOUVSEOPW-MQYQWHSLSA-N 1 2 373.478 2.520 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3occc3s1)C2 ZINC001109714736 1000883317 /nfs/dbraw/zinc/88/33/17/1000883317.db2.gz USMUREOUVSEOPW-MQYQWHSLSA-N 1 2 373.478 2.520 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC001091693033 1001067385 /nfs/dbraw/zinc/06/73/85/1001067385.db2.gz VOAXCHUXOWSSMP-CVEARBPZSA-N 1 2 368.485 2.596 20 30 FFEDLO O=C(OCC#Cc1ccc(F)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000771366059 1001089408 /nfs/dbraw/zinc/08/94/08/1001089408.db2.gz HPJSRENMQPFCBH-FQEVSTJZSA-N 1 2 353.393 2.621 20 30 FFEDLO O=C(OCC#Cc1ccc(F)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000771366059 1001089415 /nfs/dbraw/zinc/08/94/15/1001089415.db2.gz HPJSRENMQPFCBH-FQEVSTJZSA-N 1 2 353.393 2.621 20 30 FFEDLO Cc1ccc(C#N)c(NC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@H]2C)n1 ZINC001054667435 1016466197 /nfs/dbraw/zinc/46/61/97/1016466197.db2.gz YGGKVYWYCFBPHM-QGPMSJSTSA-N 1 2 366.469 2.616 20 30 FFEDLO Cn1cc(C#N)cc1C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788239985 1001775802 /nfs/dbraw/zinc/77/58/02/1001775802.db2.gz DESYFLSNAPBICW-OAHLLOKOSA-N 1 2 351.454 2.955 20 30 FFEDLO Cn1cc(C#N)cc1C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788239985 1001775808 /nfs/dbraw/zinc/77/58/08/1001775808.db2.gz DESYFLSNAPBICW-OAHLLOKOSA-N 1 2 351.454 2.955 20 30 FFEDLO CCCc1ccc(C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)s1 ZINC001276224568 1016567210 /nfs/dbraw/zinc/56/72/10/1016567210.db2.gz FFMUHQOZPVYBHS-UHFFFAOYSA-N 1 2 368.506 2.869 20 30 FFEDLO Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)cn1 ZINC001096812996 1016582083 /nfs/dbraw/zinc/58/20/83/1016582083.db2.gz NOQQLDYERZLDIO-NJYVYQBISA-N 1 2 363.436 2.916 20 30 FFEDLO Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)cn1 ZINC001096812996 1016582099 /nfs/dbraw/zinc/58/20/99/1016582099.db2.gz NOQQLDYERZLDIO-NJYVYQBISA-N 1 2 363.436 2.916 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C(C)C)n4C)C[C@@]3(C)C2)C1 ZINC001091996691 1002203368 /nfs/dbraw/zinc/20/33/68/1002203368.db2.gz ZLZPVXYQGMYMCX-IERDGZPVSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C(C)C)n4C)C[C@@]3(C)C2)C1 ZINC001091996691 1002203374 /nfs/dbraw/zinc/20/33/74/1002203374.db2.gz ZLZPVXYQGMYMCX-IERDGZPVSA-N 1 2 371.529 2.575 20 30 FFEDLO N#Cc1ccccc1CN1CCCC[C@@H]1C(=O)NCCOc1cc[nH+]cc1 ZINC001183840232 1002406883 /nfs/dbraw/zinc/40/68/83/1002406883.db2.gz RGMMNAYRNVVKFM-HXUWFJFHSA-N 1 2 364.449 2.503 20 30 FFEDLO C=CC[C@]1(C(=O)N2CC(n3cc[nH+]c3)C2)CCCN1C(=O)OC(C)(C)C ZINC000790642983 1002457138 /nfs/dbraw/zinc/45/71/38/1002457138.db2.gz QGAHNVMCYGVWLD-LJQANCHMSA-N 1 2 360.458 2.612 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](CCOCCC(C)C)CC1 ZINC001113417449 1002504801 /nfs/dbraw/zinc/50/48/01/1002504801.db2.gz HBUZZYULHVRKPU-OALUTQOASA-N 1 2 352.519 2.565 20 30 FFEDLO CN(CC(C)(C)CNc1ncc(C#N)cc1F)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001113465538 1002548903 /nfs/dbraw/zinc/54/89/03/1002548903.db2.gz LERFDKZXHMYLEL-ZIAGYGMSSA-N 1 2 370.432 2.516 20 30 FFEDLO CN(CC(C)(C)CNc1ncc(C#N)cc1F)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001113465538 1002548913 /nfs/dbraw/zinc/54/89/13/1002548913.db2.gz LERFDKZXHMYLEL-ZIAGYGMSSA-N 1 2 370.432 2.516 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184360261 1002566724 /nfs/dbraw/zinc/56/67/24/1002566724.db2.gz YGDMTIZHBWEGNQ-UHFFFAOYSA-N 1 2 358.438 2.663 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184360261 1002566733 /nfs/dbraw/zinc/56/67/33/1002566733.db2.gz YGDMTIZHBWEGNQ-UHFFFAOYSA-N 1 2 358.438 2.663 20 30 FFEDLO Cc1cc(N2C[C@@H]3CN(C(=O)C#CC(C)C)C[C@]3(C)C2)nc(C(C)C)[nH+]1 ZINC001092288945 1002697281 /nfs/dbraw/zinc/69/72/81/1002697281.db2.gz NGDOFEGSCTYIAZ-UTKZUKDTSA-N 1 2 354.498 2.853 20 30 FFEDLO C=CCC1(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCC1 ZINC000791560777 1002741372 /nfs/dbraw/zinc/74/13/72/1002741372.db2.gz MYVSNBUXDCMQPQ-UHFFFAOYSA-N 1 2 372.465 2.747 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001095534788 1016672127 /nfs/dbraw/zinc/67/21/27/1016672127.db2.gz HINUHFAKYUHIKE-SQNIBIBYSA-N 1 2 354.429 2.744 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001095534788 1016672142 /nfs/dbraw/zinc/67/21/42/1016672142.db2.gz HINUHFAKYUHIKE-SQNIBIBYSA-N 1 2 354.429 2.744 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2cc(F)ccc2F)CC1 ZINC001001162841 1016672726 /nfs/dbraw/zinc/67/27/26/1016672726.db2.gz JGPXFTVIFYPBBM-MJGOQNOKSA-N 1 2 362.420 2.804 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2cc(F)ccc2F)CC1 ZINC001001162841 1016672730 /nfs/dbraw/zinc/67/27/30/1016672730.db2.gz JGPXFTVIFYPBBM-MJGOQNOKSA-N 1 2 362.420 2.804 20 30 FFEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1nccn12 ZINC001092414071 1002879337 /nfs/dbraw/zinc/87/93/37/1002879337.db2.gz PRGWOUQBYCTJKT-RCCFBDPRSA-N 1 2 366.440 2.584 20 30 FFEDLO CC[C@H](C)N1C[C@@]2(F)C[N@H+](CCCc3cccc(C#N)c3)C[C@@]2(F)C1=O ZINC001276281081 1016710481 /nfs/dbraw/zinc/71/04/81/1016710481.db2.gz WJYWMMHHULTGGR-RYGJVYDSSA-N 1 2 361.436 2.864 20 30 FFEDLO CC[C@H](C)N1C[C@@]2(F)C[N@@H+](CCCc3cccc(C#N)c3)C[C@@]2(F)C1=O ZINC001276281081 1016710491 /nfs/dbraw/zinc/71/04/91/1016710491.db2.gz WJYWMMHHULTGGR-RYGJVYDSSA-N 1 2 361.436 2.864 20 30 FFEDLO Cc1n[nH]c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)c1C ZINC001092514591 1003025197 /nfs/dbraw/zinc/02/51/97/1003025197.db2.gz PNBACHOONYFKSI-SJKOYZFVSA-N 1 2 369.444 2.535 20 30 FFEDLO Cc1n[nH]c(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)c1C ZINC001092514591 1003025210 /nfs/dbraw/zinc/02/52/10/1003025210.db2.gz PNBACHOONYFKSI-SJKOYZFVSA-N 1 2 369.444 2.535 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ncccn3)C[C@H]2c2ccccc2)C1 ZINC001086607972 1003025952 /nfs/dbraw/zinc/02/59/52/1003025952.db2.gz FOTPDLKQOYNJHX-RBUKOAKNSA-N 1 2 362.477 2.917 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ncccn3)C[C@H]2c2ccccc2)C1 ZINC001086607972 1003025960 /nfs/dbraw/zinc/02/59/60/1003025960.db2.gz FOTPDLKQOYNJHX-RBUKOAKNSA-N 1 2 362.477 2.917 20 30 FFEDLO CCc1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096902183 1016712728 /nfs/dbraw/zinc/71/27/28/1016712728.db2.gz NFSHIMIZAWJAOY-OIISXLGYSA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096902183 1016712740 /nfs/dbraw/zinc/71/27/40/1016712740.db2.gz NFSHIMIZAWJAOY-OIISXLGYSA-N 1 2 368.412 2.783 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)NCC[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001092561050 1003126515 /nfs/dbraw/zinc/12/65/15/1003126515.db2.gz FZNWOIWMOVGBQM-MDYRTPRTSA-N 1 2 360.502 2.592 20 30 FFEDLO Cc1ncoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096918333 1016735346 /nfs/dbraw/zinc/73/53/46/1016735346.db2.gz RAWNTFZIDSRRPB-OIISXLGYSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1ncoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096918333 1016735355 /nfs/dbraw/zinc/73/53/55/1016735355.db2.gz RAWNTFZIDSRRPB-OIISXLGYSA-N 1 2 354.385 2.529 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NCC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC001092578080 1003249203 /nfs/dbraw/zinc/24/92/03/1003249203.db2.gz IGRVDUZXKIIZHB-SXGZJXTBSA-N 1 2 370.501 2.544 20 30 FFEDLO CN(C)S(=O)(=O)c1ccccc1N[NH+]=Cc1ccc2c(c1)CCCN2C ZINC000793191041 1003305074 /nfs/dbraw/zinc/30/50/74/1003305074.db2.gz JOZKLGZVFHXFQU-UHFFFAOYSA-N 1 2 372.494 2.765 20 30 FFEDLO C[N@H+](CCOc1ccc(F)cc1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793480639 1003382589 /nfs/dbraw/zinc/38/25/89/1003382589.db2.gz AKUFQUKZZSEQOI-UHFFFAOYSA-N 1 2 355.413 2.706 20 30 FFEDLO C[N@@H+](CCOc1ccc(F)cc1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793480639 1003382598 /nfs/dbraw/zinc/38/25/98/1003382598.db2.gz AKUFQUKZZSEQOI-UHFFFAOYSA-N 1 2 355.413 2.706 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cn3c(=O)oc4cc(Cl)ccc43)C2)nc1 ZINC000793590180 1003431587 /nfs/dbraw/zinc/43/15/87/1003431587.db2.gz KRXVSHCUJAEITE-CQSZACIVSA-N 1 2 370.796 2.625 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cn3c(=O)oc4cc(Cl)ccc43)C2)nc1 ZINC000793590180 1003431598 /nfs/dbraw/zinc/43/15/98/1003431598.db2.gz KRXVSHCUJAEITE-CQSZACIVSA-N 1 2 370.796 2.625 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1c(F)cccc1F ZINC001110385154 1003443565 /nfs/dbraw/zinc/44/35/65/1003443565.db2.gz NQCDBTMHPSNUKZ-IXKJSCDLSA-N 1 2 350.409 2.950 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1c(F)cccc1F ZINC001110385154 1003443573 /nfs/dbraw/zinc/44/35/73/1003443573.db2.gz NQCDBTMHPSNUKZ-IXKJSCDLSA-N 1 2 350.409 2.950 20 30 FFEDLO Cc1nscc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001096978720 1016797215 /nfs/dbraw/zinc/79/72/15/1016797215.db2.gz PXCFSGGQDJNUMD-NXHRZFHOSA-N 1 2 352.463 2.859 20 30 FFEDLO Cc1nscc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001096978720 1016797226 /nfs/dbraw/zinc/79/72/26/1016797226.db2.gz PXCFSGGQDJNUMD-NXHRZFHOSA-N 1 2 352.463 2.859 20 30 FFEDLO N#Cc1c(F)cccc1N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001092856958 1003675627 /nfs/dbraw/zinc/67/56/27/1003675627.db2.gz GAJGOSZHLXZRIU-LJHODMEESA-N 1 2 367.428 2.600 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2Cl)C[C@H]1O ZINC001196473822 1003780823 /nfs/dbraw/zinc/78/08/23/1003780823.db2.gz CGFDIBHEGRKYPU-HUUCEWRRSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2Cl)C[C@H]1O ZINC001196473822 1003780827 /nfs/dbraw/zinc/78/08/27/1003780827.db2.gz CGFDIBHEGRKYPU-HUUCEWRRSA-N 1 2 366.889 2.612 20 30 FFEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001191686257 1003929159 /nfs/dbraw/zinc/92/91/59/1003929159.db2.gz FFLPCFMFOSYLLI-ATZDWAIDSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001191686257 1003929169 /nfs/dbraw/zinc/92/91/69/1003929169.db2.gz FFLPCFMFOSYLLI-ATZDWAIDSA-N 1 2 362.901 2.679 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2O)CCCCC1 ZINC001196860073 1003995189 /nfs/dbraw/zinc/99/51/89/1003995189.db2.gz GBXGOGHCVAHGJG-WOJBJXKFSA-N 1 2 367.493 2.746 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2O)CCCCC1 ZINC001196860073 1003995197 /nfs/dbraw/zinc/99/51/97/1003995197.db2.gz GBXGOGHCVAHGJG-WOJBJXKFSA-N 1 2 367.493 2.746 20 30 FFEDLO CC[C@@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001192813847 1004285515 /nfs/dbraw/zinc/28/55/15/1004285515.db2.gz QGLZMQWIBAIFIS-FGTMMUONSA-N 1 2 364.436 2.627 20 30 FFEDLO CC[C@@H](c1ccc(F)cc1F)[N@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001192813847 1004285521 /nfs/dbraw/zinc/28/55/21/1004285521.db2.gz QGLZMQWIBAIFIS-FGTMMUONSA-N 1 2 364.436 2.627 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1c(C)cccc1C ZINC001110494796 1004317991 /nfs/dbraw/zinc/31/79/91/1004317991.db2.gz YJFSTOKYVHGTJC-QRVBRYPASA-N 1 2 367.493 2.767 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1c(C)cccc1C ZINC001110494796 1004318000 /nfs/dbraw/zinc/31/80/00/1004318000.db2.gz YJFSTOKYVHGTJC-QRVBRYPASA-N 1 2 367.493 2.767 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC001110497415 1004417303 /nfs/dbraw/zinc/41/73/03/1004417303.db2.gz UTWHPWSMTMAVTP-NBYUQASBSA-N 1 2 367.493 2.847 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC001110497415 1004417305 /nfs/dbraw/zinc/41/73/05/1004417305.db2.gz UTWHPWSMTMAVTP-NBYUQASBSA-N 1 2 367.493 2.847 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncc(F)cc2F)C3)s1 ZINC001095623068 1016877313 /nfs/dbraw/zinc/87/73/13/1016877313.db2.gz UFBYAKDLVIXFFQ-RLCCDNCMSA-N 1 2 374.416 2.828 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncc(F)cc2F)C3)s1 ZINC001095623068 1016877328 /nfs/dbraw/zinc/87/73/28/1016877328.db2.gz UFBYAKDLVIXFFQ-RLCCDNCMSA-N 1 2 374.416 2.828 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C[C@H]1O ZINC001193370441 1004467098 /nfs/dbraw/zinc/46/70/98/1004467098.db2.gz YEUIBJXRCWHAHX-KBAYOESNSA-N 1 2 369.465 2.920 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C[C@H]1O ZINC001193370441 1004467104 /nfs/dbraw/zinc/46/71/04/1004467104.db2.gz YEUIBJXRCWHAHX-KBAYOESNSA-N 1 2 369.465 2.920 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1O ZINC001198103521 1004495952 /nfs/dbraw/zinc/49/59/52/1004495952.db2.gz IXTQXRXQJDZJMG-RTBURBONSA-N 1 2 362.518 2.587 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1O ZINC001198103521 1004495958 /nfs/dbraw/zinc/49/59/58/1004495958.db2.gz IXTQXRXQJDZJMG-RTBURBONSA-N 1 2 362.518 2.587 20 30 FFEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001198185032 1004534932 /nfs/dbraw/zinc/53/49/32/1004534932.db2.gz PAKIWQWSYOGCIY-PJIJBLCYSA-N 1 2 363.421 2.657 20 30 FFEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001198185032 1004534937 /nfs/dbraw/zinc/53/49/37/1004534937.db2.gz PAKIWQWSYOGCIY-PJIJBLCYSA-N 1 2 363.421 2.657 20 30 FFEDLO Nc1ccc(C=[NH+]Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cn1 ZINC000807967746 1004722713 /nfs/dbraw/zinc/72/27/13/1004722713.db2.gz BOXOEFIQYDESTN-UHFFFAOYSA-N 1 2 367.434 2.911 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)CCCCC1 ZINC001198962923 1004795136 /nfs/dbraw/zinc/79/51/36/1004795136.db2.gz QPTNJWVJVAADJJ-WOJBJXKFSA-N 1 2 354.494 2.560 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)CCCCC1 ZINC001198962923 1004795141 /nfs/dbraw/zinc/79/51/41/1004795141.db2.gz QPTNJWVJVAADJJ-WOJBJXKFSA-N 1 2 354.494 2.560 20 30 FFEDLO C=CCCc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC001194716323 1004801818 /nfs/dbraw/zinc/80/18/18/1004801818.db2.gz AAQMHJLAFXOXPQ-MSOLQXFVSA-N 1 2 366.552 2.663 20 30 FFEDLO C=CCCc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC001194716323 1004801821 /nfs/dbraw/zinc/80/18/21/1004801821.db2.gz AAQMHJLAFXOXPQ-MSOLQXFVSA-N 1 2 366.552 2.663 20 30 FFEDLO CC(C)=C(C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001195390921 1004958332 /nfs/dbraw/zinc/95/83/32/1004958332.db2.gz ZEUFQNWFWBZATQ-RTBURBONSA-N 1 2 360.885 2.599 20 30 FFEDLO CC(C)=C(C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001195390921 1004958335 /nfs/dbraw/zinc/95/83/35/1004958335.db2.gz ZEUFQNWFWBZATQ-RTBURBONSA-N 1 2 360.885 2.599 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3c(C)nsc3C)C[C@H]2O)CCCC1 ZINC001199560315 1004969324 /nfs/dbraw/zinc/96/93/24/1004969324.db2.gz QUUMPIPPLHXWSP-IAGOWNOFSA-N 1 2 363.527 2.558 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3c(C)nsc3C)C[C@H]2O)CCCC1 ZINC001199560315 1004969326 /nfs/dbraw/zinc/96/93/26/1004969326.db2.gz QUUMPIPPLHXWSP-IAGOWNOFSA-N 1 2 363.527 2.558 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@H]1O ZINC001195555213 1004982597 /nfs/dbraw/zinc/98/25/97/1004982597.db2.gz ZNDKSOCNKDQRSG-MORSLUCNSA-N 1 2 368.880 2.785 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)C[C@H]1O ZINC001195555213 1004982600 /nfs/dbraw/zinc/98/26/00/1004982600.db2.gz ZNDKSOCNKDQRSG-MORSLUCNSA-N 1 2 368.880 2.785 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001195531060 1004986718 /nfs/dbraw/zinc/98/67/18/1004986718.db2.gz ALKNMDLSPXMMOK-IAOVAPTHSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001195531060 1004986723 /nfs/dbraw/zinc/98/67/23/1004986723.db2.gz ALKNMDLSPXMMOK-IAOVAPTHSA-N 1 2 370.415 2.969 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3oc(C(C)C)nc3C)C[C@H]2O)CC1 ZINC001195905759 1005070611 /nfs/dbraw/zinc/07/06/11/1005070611.db2.gz BYJJSMYJNMXWRQ-HZPDHXFCSA-N 1 2 361.486 2.514 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3oc(C(C)C)nc3C)C[C@H]2O)CC1 ZINC001195905759 1005070616 /nfs/dbraw/zinc/07/06/16/1005070616.db2.gz BYJJSMYJNMXWRQ-HZPDHXFCSA-N 1 2 361.486 2.514 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccc2Cl)C[C@H]1O ZINC001195924672 1005075149 /nfs/dbraw/zinc/07/51/49/1005075149.db2.gz YBEYKHNOUCWXAZ-ZHALLVOQSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccc2Cl)C[C@H]1O ZINC001195924672 1005075154 /nfs/dbraw/zinc/07/51/54/1005075154.db2.gz YBEYKHNOUCWXAZ-ZHALLVOQSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H](C)C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001488554820 1005361349 /nfs/dbraw/zinc/36/13/49/1005361349.db2.gz XAEOYABIQAOLKG-USXIJHARSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H](C)C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001488554820 1005361352 /nfs/dbraw/zinc/36/13/52/1005361352.db2.gz XAEOYABIQAOLKG-USXIJHARSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@H+](Cc2noc3c2COCC3)[C@@H]1CC ZINC001489132968 1005417223 /nfs/dbraw/zinc/41/72/23/1005417223.db2.gz NTLQWQGCWRPLRE-VPWXQRGCSA-N 1 2 361.486 2.819 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](Cc2noc3c2COCC3)[C@@H]1CC ZINC001489132968 1005417225 /nfs/dbraw/zinc/41/72/25/1005417225.db2.gz NTLQWQGCWRPLRE-VPWXQRGCSA-N 1 2 361.486 2.819 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)n2)[C@@H]1C ZINC001489255410 1005440241 /nfs/dbraw/zinc/44/02/41/1005440241.db2.gz LOWAFVGMRFHNIA-ZBFHGGJFSA-N 1 2 351.878 2.797 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)[C@@H]1C ZINC001489255410 1005440243 /nfs/dbraw/zinc/44/02/43/1005440243.db2.gz LOWAFVGMRFHNIA-ZBFHGGJFSA-N 1 2 351.878 2.797 20 30 FFEDLO CC(C)c1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C#CC3CC3)[C@H]2C)c1 ZINC001489263896 1005443381 /nfs/dbraw/zinc/44/33/81/1005443381.db2.gz GLQHXVDHFRNYHS-UZLBHIALSA-N 1 2 367.493 2.741 20 30 FFEDLO CC(C)c1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C#CC3CC3)[C@H]2C)c1 ZINC001489263896 1005443382 /nfs/dbraw/zinc/44/33/82/1005443382.db2.gz GLQHXVDHFRNYHS-UZLBHIALSA-N 1 2 367.493 2.741 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(CC)c3ccccc3)[C@@H]2C)C1 ZINC001489288384 1005449768 /nfs/dbraw/zinc/44/97/68/1005449768.db2.gz AXZYYEVIGJJPPZ-MJGOQNOKSA-N 1 2 369.509 2.975 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(=O)N(CC)c3ccccc3)[C@@H]2C)C1 ZINC001489288384 1005449771 /nfs/dbraw/zinc/44/97/71/1005449771.db2.gz AXZYYEVIGJJPPZ-MJGOQNOKSA-N 1 2 369.509 2.975 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001489950194 1005598376 /nfs/dbraw/zinc/59/83/76/1005598376.db2.gz AVHLBMYYEFQSTL-YYIAUSFCSA-N 1 2 372.513 2.859 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001489950194 1005598378 /nfs/dbraw/zinc/59/83/78/1005598378.db2.gz AVHLBMYYEFQSTL-YYIAUSFCSA-N 1 2 372.513 2.859 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC001490096637 1005659587 /nfs/dbraw/zinc/65/95/87/1005659587.db2.gz MAZRCCPODDFYMO-HIFRSBDPSA-N 1 2 354.454 2.884 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001490347745 1005690208 /nfs/dbraw/zinc/69/02/08/1005690208.db2.gz WOSIHBARMRJUSE-BFYDXBDKSA-N 1 2 368.481 2.990 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1)OCC ZINC001110612419 1005717361 /nfs/dbraw/zinc/71/73/61/1005717361.db2.gz AKEHIYCXXSCKOY-YRXWBPOGSA-N 1 2 361.461 2.814 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1)OCC ZINC001110612419 1005717364 /nfs/dbraw/zinc/71/73/64/1005717364.db2.gz AKEHIYCXXSCKOY-YRXWBPOGSA-N 1 2 361.461 2.814 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C(C)(C)c2c[nH+]c[nH]2)CCC1 ZINC001490706715 1005757507 /nfs/dbraw/zinc/75/75/07/1005757507.db2.gz PPPGHLTVJBVJNB-PMPSAXMXSA-N 1 2 370.497 2.682 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)nn1 ZINC000850273023 1005801346 /nfs/dbraw/zinc/80/13/46/1005801346.db2.gz FNWPLAWWWXLHSU-SFHVURJKSA-N 1 2 353.470 2.675 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN([C@H](C#N)c3ccccc3)C2)CC1 ZINC000852044234 1005936273 /nfs/dbraw/zinc/93/62/73/1005936273.db2.gz AMQMDMBFTFKKJI-RBUKOAKNSA-N 1 2 370.497 2.878 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1Cl ZINC001110391351 1005959663 /nfs/dbraw/zinc/95/96/63/1005959663.db2.gz IZVFBXZWLDLQRI-OIISXLGYSA-N 1 2 352.837 2.903 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1Cl ZINC001110391351 1005959667 /nfs/dbraw/zinc/95/96/67/1005959667.db2.gz IZVFBXZWLDLQRI-OIISXLGYSA-N 1 2 352.837 2.903 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC001187296986 1006021767 /nfs/dbraw/zinc/02/17/67/1006021767.db2.gz WHKZGBZSYNURCA-SUMWQHHRSA-N 1 2 352.837 2.714 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC001187296986 1006021775 /nfs/dbraw/zinc/02/17/75/1006021775.db2.gz WHKZGBZSYNURCA-SUMWQHHRSA-N 1 2 352.837 2.714 20 30 FFEDLO NC(=NOCc1cccc(F)c1F)c1cccc(C[NH+]2CCOCC2)c1 ZINC000129167950 1006191728 /nfs/dbraw/zinc/19/17/28/1006191728.db2.gz FSMINDHYTGVCAX-UHFFFAOYSA-N 1 2 361.392 2.634 20 30 FFEDLO CC(C)(CNc1nccc(Oc2cccc(C#N)c2)n1)[NH+]1CCOCC1 ZINC000881752946 1006206750 /nfs/dbraw/zinc/20/67/50/1006206750.db2.gz CXCKDHQNTUKJSW-UHFFFAOYSA-N 1 2 353.426 2.663 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C4CCCC4)n3)C[C@H]21 ZINC001187805602 1006249222 /nfs/dbraw/zinc/24/92/22/1006249222.db2.gz ZBRFPPJBDHRXHK-FXAWDEMLSA-N 1 2 354.498 2.690 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C4CCCC4)n3)C[C@H]21 ZINC001187805602 1006249232 /nfs/dbraw/zinc/24/92/32/1006249232.db2.gz ZBRFPPJBDHRXHK-FXAWDEMLSA-N 1 2 354.498 2.690 20 30 FFEDLO C[N@@H+]1CCc2c(C#N)c(NC(=O)Nc3ccc4c(c3)OCO4)sc2C1 ZINC001187829423 1006286873 /nfs/dbraw/zinc/28/68/73/1006286873.db2.gz BGZVOJDLKDWPCR-UHFFFAOYSA-N 1 2 356.407 2.980 20 30 FFEDLO C[N@H+]1CCc2c(C#N)c(NC(=O)Nc3ccc4c(c3)OCO4)sc2C1 ZINC001187829423 1006286881 /nfs/dbraw/zinc/28/68/81/1006286881.db2.gz BGZVOJDLKDWPCR-UHFFFAOYSA-N 1 2 356.407 2.980 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCCNC(=O)Cc1cccc(F)c1 ZINC000853245403 1006348569 /nfs/dbraw/zinc/34/85/69/1006348569.db2.gz YGWQKTQTAWWHBI-UHFFFAOYSA-N 1 2 355.413 2.784 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000853272242 1006355795 /nfs/dbraw/zinc/35/57/95/1006355795.db2.gz SIDDIUWWTYMGIC-INIZCTEOSA-N 1 2 355.413 2.769 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(-c2cccc(F)c2)o1 ZINC001110401766 1006692187 /nfs/dbraw/zinc/69/21/87/1006692187.db2.gz NMTVCAKPVPXJJR-DXEWXGHRSA-N 1 2 368.412 2.862 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(-c2cccc(F)c2)o1 ZINC001110401766 1006692198 /nfs/dbraw/zinc/69/21/98/1006692198.db2.gz NMTVCAKPVPXJJR-DXEWXGHRSA-N 1 2 368.412 2.862 20 30 FFEDLO C#Cc1ccc(C(=O)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)cc1 ZINC001188729255 1006704745 /nfs/dbraw/zinc/70/47/45/1006704745.db2.gz ZENHEBQFSXJQPQ-GOSISDBHSA-N 1 2 372.428 2.611 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001188876075 1006761381 /nfs/dbraw/zinc/76/13/81/1006761381.db2.gz RJGYGOHJFIPYHP-JENIJYKNSA-N 1 2 355.482 2.760 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001188876075 1006761399 /nfs/dbraw/zinc/76/13/99/1006761399.db2.gz RJGYGOHJFIPYHP-JENIJYKNSA-N 1 2 355.482 2.760 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1sccc1Br ZINC001110402751 1006761683 /nfs/dbraw/zinc/76/16/83/1006761683.db2.gz BSOUBZUHJJQQLK-WFFHOREQSA-N 1 2 368.300 2.892 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1sccc1Br ZINC001110402751 1006761696 /nfs/dbraw/zinc/76/16/96/1006761696.db2.gz BSOUBZUHJJQQLK-WFFHOREQSA-N 1 2 368.300 2.892 20 30 FFEDLO N#Cc1cccnc1NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCC1 ZINC001110685564 1006814984 /nfs/dbraw/zinc/81/49/84/1006814984.db2.gz VZPLXMLTQLEFGN-BRWVUGGUSA-N 1 2 364.453 2.567 20 30 FFEDLO N#Cc1cccnc1NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCC1 ZINC001110685564 1006814993 /nfs/dbraw/zinc/81/49/93/1006814993.db2.gz VZPLXMLTQLEFGN-BRWVUGGUSA-N 1 2 364.453 2.567 20 30 FFEDLO Cc1cc(C#N)cc(C)c1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001135336435 1006877059 /nfs/dbraw/zinc/87/70/59/1006877059.db2.gz XOBVVDGQMVFQEW-UHFFFAOYSA-N 1 2 372.472 2.934 20 30 FFEDLO N#Cc1ccccc1-c1ccc(Cn2cc(C[NH+]3CCC(O)CC3)nn2)cc1 ZINC000883990683 1007124244 /nfs/dbraw/zinc/12/42/44/1007124244.db2.gz BJLKQSLQNUHZTG-UHFFFAOYSA-N 1 2 373.460 2.822 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000776800949 1007256576 /nfs/dbraw/zinc/25/65/76/1007256576.db2.gz CUWDUNJBRLRUJD-QAPCUYQASA-N 1 2 359.470 2.981 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000776800949 1007256586 /nfs/dbraw/zinc/25/65/86/1007256586.db2.gz CUWDUNJBRLRUJD-QAPCUYQASA-N 1 2 359.470 2.981 20 30 FFEDLO C=CCNc1ncc(C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000817183603 1007465371 /nfs/dbraw/zinc/46/53/71/1007465371.db2.gz OJTICRKPZIXRKR-UHFFFAOYSA-N 1 2 373.478 2.930 20 30 FFEDLO Cc1[nH+]c[nH]c1CSCCNC(=O)c1ccc(C#CC(C)(C)O)cc1 ZINC001191189599 1007930289 /nfs/dbraw/zinc/93/02/89/1007930289.db2.gz VPDDGHXNIJWRAD-UHFFFAOYSA-N 1 2 357.479 2.504 20 30 FFEDLO C=CC[C@@]1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CCCN1C(=O)OC(C)(C)C ZINC000857982791 1008268857 /nfs/dbraw/zinc/26/88/57/1008268857.db2.gz SCXABGCJPLLLID-KUHUBIRLSA-N 1 2 360.458 2.790 20 30 FFEDLO Cc1c[nH+]c2c(c1)N(C(=O)CCCC(=O)Nc1ccccc1C#N)CCN2 ZINC000857999674 1008273879 /nfs/dbraw/zinc/27/38/79/1008273879.db2.gz ISBYJIFNENCFGG-UHFFFAOYSA-N 1 2 363.421 2.829 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCc1ccc(OC)cc1)C2 ZINC001110758202 1008429459 /nfs/dbraw/zinc/42/94/59/1008429459.db2.gz JSDVDXKJGPROHY-NXHRZFHOSA-N 1 2 364.873 2.686 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCc1ccc(OC)cc1)C2 ZINC001110758202 1008429463 /nfs/dbraw/zinc/42/94/63/1008429463.db2.gz JSDVDXKJGPROHY-NXHRZFHOSA-N 1 2 364.873 2.686 20 30 FFEDLO C#CC[C@H](COC)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000859030767 1008467796 /nfs/dbraw/zinc/46/77/96/1008467796.db2.gz AAPTWMGUHLEJAE-MJGOQNOKSA-N 1 2 354.454 2.579 20 30 FFEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000859171621 1008484080 /nfs/dbraw/zinc/48/40/80/1008484080.db2.gz ONHNATPAJUDOBL-UHFFFAOYSA-N 1 2 355.482 2.597 20 30 FFEDLO CC1(C)COCC[N@H+]1CCNC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000859171621 1008484082 /nfs/dbraw/zinc/48/40/82/1008484082.db2.gz ONHNATPAJUDOBL-UHFFFAOYSA-N 1 2 355.482 2.597 20 30 FFEDLO C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001177540996 1008654833 /nfs/dbraw/zinc/65/48/33/1008654833.db2.gz HRCUSUBOLXESFG-WOJBJXKFSA-N 1 2 368.521 2.767 20 30 FFEDLO CCOC(=O)c1nc2ccc(NC(=[NH2+])c3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC001170989375 1008656344 /nfs/dbraw/zinc/65/63/44/1008656344.db2.gz RQLOKHFHJRUXRB-UHFFFAOYSA-N 1 2 366.377 2.563 20 30 FFEDLO CCOC(=O)CCCc1ccc(C#N)cc1NC(=O)CCc1[nH]cc[nH+]1 ZINC001177996566 1008816794 /nfs/dbraw/zinc/81/67/94/1008816794.db2.gz HHXGOGHAIHMJOJ-UHFFFAOYSA-N 1 2 354.410 2.738 20 30 FFEDLO C[C@H](C[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1)NC(=O)OC(C)(C)C ZINC000860093408 1008827564 /nfs/dbraw/zinc/82/75/64/1008827564.db2.gz AKTQZSOOZUDELI-CYBMUJFWSA-N 1 2 371.441 2.953 20 30 FFEDLO C[C@H](C[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1)NC(=O)OC(C)(C)C ZINC000860093408 1008827581 /nfs/dbraw/zinc/82/75/81/1008827581.db2.gz AKTQZSOOZUDELI-CYBMUJFWSA-N 1 2 371.441 2.953 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000860467204 1009016329 /nfs/dbraw/zinc/01/63/29/1009016329.db2.gz GLXRPCKULXZJSC-ZIFCJYIRSA-N 1 2 373.497 2.846 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000860467204 1009016343 /nfs/dbraw/zinc/01/63/43/1009016343.db2.gz GLXRPCKULXZJSC-ZIFCJYIRSA-N 1 2 373.497 2.846 20 30 FFEDLO C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1C#N)n1cc[nH+]c1 ZINC001092921519 1009338211 /nfs/dbraw/zinc/33/82/11/1009338211.db2.gz XNPPQFPYOXXAHL-GNSPCKGOSA-N 1 2 367.428 2.771 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1F)C2 ZINC001110240205 1009858439 /nfs/dbraw/zinc/85/84/39/1009858439.db2.gz KJKKDCRMHJUGCC-LZQZEXGQSA-N 1 2 373.472 2.585 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1F)C2 ZINC001110240205 1009858454 /nfs/dbraw/zinc/85/84/54/1009858454.db2.gz KJKKDCRMHJUGCC-LZQZEXGQSA-N 1 2 373.472 2.585 20 30 FFEDLO CCOC(=O)[C@]1(C(C)C)CC[N@@H+]([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000773913147 1010076726 /nfs/dbraw/zinc/07/67/26/1010076726.db2.gz JXEOKSRUXDADCC-FXAWDEMLSA-N 1 2 358.438 2.684 20 30 FFEDLO CCOC(=O)[C@]1(C(C)C)CC[N@H+]([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000773913147 1010076734 /nfs/dbraw/zinc/07/67/34/1010076734.db2.gz JXEOKSRUXDADCC-FXAWDEMLSA-N 1 2 358.438 2.684 20 30 FFEDLO CCCC[C@H](CNc1ncc(C#N)cc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001114331242 1010157043 /nfs/dbraw/zinc/15/70/43/1010157043.db2.gz OOICIWFVWSJXRY-RBSFLKMASA-N 1 2 370.432 2.706 20 30 FFEDLO CCCC[C@H](CNc1ncc(C#N)cc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001114331242 1010157055 /nfs/dbraw/zinc/15/70/55/1010157055.db2.gz OOICIWFVWSJXRY-RBSFLKMASA-N 1 2 370.432 2.706 20 30 FFEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3OC)CC2)C1 ZINC001093581611 1010346997 /nfs/dbraw/zinc/34/69/97/1010346997.db2.gz RRNHEPNHIISSCU-VQTJNVASSA-N 1 2 370.493 2.677 20 30 FFEDLO COc1ccc(C[C@@H]2CCC[N@H+](Cn3nc(CC#N)n(C)c3=S)C2)cc1 ZINC000794635091 1010447546 /nfs/dbraw/zinc/44/75/46/1010447546.db2.gz UPWRRQAOQXXJDW-INIZCTEOSA-N 1 2 371.510 2.938 20 30 FFEDLO COc1ccc(C[C@@H]2CCC[N@@H+](Cn3nc(CC#N)n(C)c3=S)C2)cc1 ZINC000794635091 1010447553 /nfs/dbraw/zinc/44/75/53/1010447553.db2.gz UPWRRQAOQXXJDW-INIZCTEOSA-N 1 2 371.510 2.938 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2csc(CCCC)n2)C[C@H]1C ZINC001206918339 1032499576 /nfs/dbraw/zinc/49/95/76/1032499576.db2.gz WCNNJDURGUAPJW-IDHHARJASA-N 1 2 365.543 2.749 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2csc(CCCC)n2)C[C@H]1C ZINC001206918339 1032499583 /nfs/dbraw/zinc/49/95/83/1032499583.db2.gz WCNNJDURGUAPJW-IDHHARJASA-N 1 2 365.543 2.749 20 30 FFEDLO C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1cccc(C#N)c1O ZINC000866219492 1010953473 /nfs/dbraw/zinc/95/34/73/1010953473.db2.gz PRKVDJFGQVBZDL-JXFKEZNVSA-N 1 2 351.450 2.988 20 30 FFEDLO N#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000120983048 1010964741 /nfs/dbraw/zinc/96/47/41/1010964741.db2.gz PHTACELEPLJWRY-CQSZACIVSA-N 1 2 355.373 2.523 20 30 FFEDLO COc1cc(C[C@@H](CO)C[NH2+][C@H](C)c2cccc(C#N)c2O)cc(OC)c1 ZINC000866277698 1010967430 /nfs/dbraw/zinc/96/74/30/1010967430.db2.gz HBSSEWYOIPARPL-GDBMZVCRSA-N 1 2 370.449 2.783 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(OC)ccn1 ZINC001110860213 1011257110 /nfs/dbraw/zinc/25/71/10/1011257110.db2.gz UXBIYABQZHMLMJ-RDPOXOKHSA-N 1 2 373.497 2.541 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(OC)ccn1 ZINC001110860213 1011257124 /nfs/dbraw/zinc/25/71/24/1011257124.db2.gz UXBIYABQZHMLMJ-RDPOXOKHSA-N 1 2 373.497 2.541 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)C1CCC1 ZINC001110868309 1011282723 /nfs/dbraw/zinc/28/27/23/1011282723.db2.gz BKCIOKKQEUOZGK-MXEMCNAFSA-N 1 2 370.468 2.714 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)C1CCC1 ZINC001110868309 1011282731 /nfs/dbraw/zinc/28/27/31/1011282731.db2.gz BKCIOKKQEUOZGK-MXEMCNAFSA-N 1 2 370.468 2.714 20 30 FFEDLO O=C(C#Cc1ccc(Cl)cc1)N1CCCC2(C[NH+](Cc3cn[nH]c3)C2)C1 ZINC001274585600 1011523249 /nfs/dbraw/zinc/52/32/49/1011523249.db2.gz XVYPEPUMPFWSIX-UHFFFAOYSA-N 1 2 368.868 2.539 20 30 FFEDLO COCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(F)cc1C#N ZINC001275039526 1011848697 /nfs/dbraw/zinc/84/86/97/1011848697.db2.gz ZOJZEBWEQCEIQU-HXUWFJFHSA-N 1 2 359.445 2.691 20 30 FFEDLO COCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(F)cc1C#N ZINC001275039526 1011848712 /nfs/dbraw/zinc/84/87/12/1011848712.db2.gz ZOJZEBWEQCEIQU-HXUWFJFHSA-N 1 2 359.445 2.691 20 30 FFEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)OCC1=O ZINC001275201614 1012072029 /nfs/dbraw/zinc/07/20/29/1012072029.db2.gz HBXJOFWLZXVFLA-QGZVFWFLSA-N 1 2 355.265 2.983 20 30 FFEDLO C=CCN1C[C@]2(CC[N@H+](Cc3ccc(Cl)cc3Cl)C2)OCC1=O ZINC001275201614 1012072040 /nfs/dbraw/zinc/07/20/40/1012072040.db2.gz HBXJOFWLZXVFLA-QGZVFWFLSA-N 1 2 355.265 2.983 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c(F)cccc1Cl)C2 ZINC001275207352 1012079835 /nfs/dbraw/zinc/07/98/35/1012079835.db2.gz WTOIROPPEXCXQP-SFHVURJKSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(F)cccc1Cl)C2 ZINC001275207352 1012079857 /nfs/dbraw/zinc/07/98/57/1012079857.db2.gz WTOIROPPEXCXQP-SFHVURJKSA-N 1 2 352.837 2.716 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCCC)C[C@H]21 ZINC001221973514 1032599695 /nfs/dbraw/zinc/59/96/95/1032599695.db2.gz ANWNJWDGHLIMHK-QZTJIDSGSA-N 1 2 351.535 2.796 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCCC)C[C@H]21 ZINC001221973514 1032599701 /nfs/dbraw/zinc/59/97/01/1032599701.db2.gz ANWNJWDGHLIMHK-QZTJIDSGSA-N 1 2 351.535 2.796 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)ccc1F ZINC001275329547 1012310388 /nfs/dbraw/zinc/31/03/88/1012310388.db2.gz ZMURGJCGQYAUPP-HUUCEWRRSA-N 1 2 355.335 2.825 20 30 FFEDLO N#Cc1cc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)ccc1F ZINC001275329547 1012310397 /nfs/dbraw/zinc/31/03/97/1012310397.db2.gz ZMURGJCGQYAUPP-HUUCEWRRSA-N 1 2 355.335 2.825 20 30 FFEDLO C=CCOC1CCC([N@H+]2CCOCC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001173320116 1012472931 /nfs/dbraw/zinc/47/29/31/1012472931.db2.gz AVIQQFNICGZCKS-UHFFFAOYSA-N 1 2 366.502 2.822 20 30 FFEDLO C=CCOC1CCC([N@@H+]2CCOCC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001173320116 1012472941 /nfs/dbraw/zinc/47/29/41/1012472941.db2.gz AVIQQFNICGZCKS-UHFFFAOYSA-N 1 2 366.502 2.822 20 30 FFEDLO C#CCN1C[C@@]2(F)C[N@@H+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@]2(F)C1=O ZINC001275478711 1012514785 /nfs/dbraw/zinc/51/47/85/1012514785.db2.gz WWMLMAPOBRZUBT-SKWUIDRYSA-N 1 2 364.823 2.651 20 30 FFEDLO C#CCN1C[C@@]2(F)C[N@H+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@]2(F)C1=O ZINC001275478711 1012514803 /nfs/dbraw/zinc/51/48/03/1012514803.db2.gz WWMLMAPOBRZUBT-SKWUIDRYSA-N 1 2 364.823 2.651 20 30 FFEDLO Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)cn1 ZINC001095183248 1012664785 /nfs/dbraw/zinc/66/47/85/1012664785.db2.gz WBCAPGDDGKBIEG-HOJAQTOUSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)cn1 ZINC001095183248 1012664793 /nfs/dbraw/zinc/66/47/93/1012664793.db2.gz WBCAPGDDGKBIEG-HOJAQTOUSA-N 1 2 364.424 2.936 20 30 FFEDLO Cn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001095183526 1012665112 /nfs/dbraw/zinc/66/51/12/1012665112.db2.gz DVJWCYRSBONNJV-NJAFHUGGSA-N 1 2 352.413 2.571 20 30 FFEDLO Cn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001095183526 1012665121 /nfs/dbraw/zinc/66/51/21/1012665121.db2.gz DVJWCYRSBONNJV-NJAFHUGGSA-N 1 2 352.413 2.571 20 30 FFEDLO Cn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095183905 1012666860 /nfs/dbraw/zinc/66/68/60/1012666860.db2.gz WPPWOOQRAICBLG-NJAFHUGGSA-N 1 2 352.413 2.571 20 30 FFEDLO Cn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095183905 1012666870 /nfs/dbraw/zinc/66/68/70/1012666870.db2.gz WPPWOOQRAICBLG-NJAFHUGGSA-N 1 2 352.413 2.571 20 30 FFEDLO C#CCOc1ccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1 ZINC000870992862 1012672406 /nfs/dbraw/zinc/67/24/06/1012672406.db2.gz RMZGIRXGHSMHFT-UHFFFAOYSA-N 1 2 367.474 2.577 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccc(OCC(C)C)cc1)C2 ZINC001275597821 1012674203 /nfs/dbraw/zinc/67/42/03/1012674203.db2.gz JKQXVSXRRXNHHE-UHFFFAOYSA-N 1 2 358.482 2.711 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)cc1F ZINC001275621805 1012718222 /nfs/dbraw/zinc/71/82/22/1012718222.db2.gz HGFVEVZCKGRELY-HUUCEWRRSA-N 1 2 355.335 2.825 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)cc1F ZINC001275621805 1012718230 /nfs/dbraw/zinc/71/82/30/1012718230.db2.gz HGFVEVZCKGRELY-HUUCEWRRSA-N 1 2 355.335 2.825 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(F)nc2)C3)c1 ZINC001095243296 1012834198 /nfs/dbraw/zinc/83/41/98/1012834198.db2.gz BJRULDDHRVJILR-NJAFHUGGSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(F)nc2)C3)c1 ZINC001095243296 1012834207 /nfs/dbraw/zinc/83/42/07/1012834207.db2.gz BJRULDDHRVJILR-NJAFHUGGSA-N 1 2 368.387 2.767 20 30 FFEDLO Cc1cscc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)n(C)c1 ZINC001275817022 1013034556 /nfs/dbraw/zinc/03/45/56/1013034556.db2.gz GJSBZHLRADCHIA-IYBDPMFKSA-N 1 2 354.479 2.756 20 30 FFEDLO Cc1cscc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)n(C)c1 ZINC001275817022 1013034571 /nfs/dbraw/zinc/03/45/71/1013034571.db2.gz GJSBZHLRADCHIA-IYBDPMFKSA-N 1 2 354.479 2.756 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CCCC1CCCC1 ZINC001050925631 1017174914 /nfs/dbraw/zinc/17/49/14/1017174914.db2.gz UFXQDIDLXZJILC-AQNXPRMDSA-N 1 2 364.530 2.755 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1CCCC1CCCC1 ZINC001050925631 1017174919 /nfs/dbraw/zinc/17/49/19/1017174919.db2.gz UFXQDIDLXZJILC-AQNXPRMDSA-N 1 2 364.530 2.755 20 30 FFEDLO CCC[C@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110887533 1017203691 /nfs/dbraw/zinc/20/36/91/1017203691.db2.gz OLSKKDKUPONBCD-ZRNYENFQSA-N 1 2 358.457 2.714 20 30 FFEDLO CCC[C@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110887533 1017203700 /nfs/dbraw/zinc/20/37/00/1017203700.db2.gz OLSKKDKUPONBCD-ZRNYENFQSA-N 1 2 358.457 2.714 20 30 FFEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C)c3)C2)CC1 ZINC001052097196 1017321283 /nfs/dbraw/zinc/32/12/83/1017321283.db2.gz VKSFMDUDKBROGR-FDFHNCONSA-N 1 2 367.537 2.893 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cnnn4CC)C[C@H]32)CCCCC1 ZINC001222040305 1032690960 /nfs/dbraw/zinc/69/09/60/1032690960.db2.gz VQVRGPACQHFSHT-IEBWSBKVSA-N 1 2 371.529 2.857 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cnnn4CC)C[C@H]32)CCCCC1 ZINC001222040305 1032690969 /nfs/dbraw/zinc/69/09/69/1032690969.db2.gz VQVRGPACQHFSHT-IEBWSBKVSA-N 1 2 371.529 2.857 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccnc2OC)cc1 ZINC001097626692 1017724718 /nfs/dbraw/zinc/72/47/18/1017724718.db2.gz RTVHGYSEJCQFLH-AQNXPRMDSA-N 1 2 361.445 2.607 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccnc2OC)cc1 ZINC001097626692 1017724729 /nfs/dbraw/zinc/72/47/29/1017724729.db2.gz RTVHGYSEJCQFLH-AQNXPRMDSA-N 1 2 361.445 2.607 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3coc(C4CCCCC4)n3)[C@@H]2C1 ZINC001222062223 1032720684 /nfs/dbraw/zinc/72/06/84/1032720684.db2.gz NAFNPXRFNZSMLV-IEBWSBKVSA-N 1 2 371.481 2.518 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3coc(C4CCCCC4)n3)[C@@H]2C1 ZINC001222062223 1032720702 /nfs/dbraw/zinc/72/07/02/1032720702.db2.gz NAFNPXRFNZSMLV-IEBWSBKVSA-N 1 2 371.481 2.518 20 30 FFEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n21 ZINC000748997629 1017929869 /nfs/dbraw/zinc/92/98/69/1017929869.db2.gz GFJNRMLMISROPS-FMIVXFBMSA-N 1 2 369.446 2.789 20 30 FFEDLO C=CCCOCC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000680403302 1017967941 /nfs/dbraw/zinc/96/79/41/1017967941.db2.gz QDMWGMASZQSDHA-UHFFFAOYSA-N 1 2 366.259 2.657 20 30 FFEDLO CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C#N)cc1Br ZINC001137635752 1032735460 /nfs/dbraw/zinc/73/54/60/1032735460.db2.gz QXRSYWQFMYMISX-QGZVFWFLSA-N 1 2 362.271 2.908 20 30 FFEDLO CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C#N)cc1Br ZINC001137635752 1032735477 /nfs/dbraw/zinc/73/54/77/1032735477.db2.gz QXRSYWQFMYMISX-QGZVFWFLSA-N 1 2 362.271 2.908 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001110932870 1018704894 /nfs/dbraw/zinc/70/48/94/1018704894.db2.gz BANTYMDFIQPKPS-NBYUQASBSA-N 1 2 369.509 2.973 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001110932870 1018704905 /nfs/dbraw/zinc/70/49/05/1018704905.db2.gz BANTYMDFIQPKPS-NBYUQASBSA-N 1 2 369.509 2.973 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001110933124 1018706375 /nfs/dbraw/zinc/70/63/75/1018706375.db2.gz GTAPNCUMUUURGD-PIKADFDJSA-N 1 2 373.541 2.615 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001110933124 1018706379 /nfs/dbraw/zinc/70/63/79/1018706379.db2.gz GTAPNCUMUUURGD-PIKADFDJSA-N 1 2 373.541 2.615 20 30 FFEDLO C#CCCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)cc1 ZINC000827850735 1018784838 /nfs/dbraw/zinc/78/48/38/1018784838.db2.gz QNJOXJPORGIBNV-PBHICJAKSA-N 1 2 368.399 2.978 20 30 FFEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)cc1 ZINC000827852919 1018788618 /nfs/dbraw/zinc/78/86/18/1018788618.db2.gz ZINHEDAYJDQGKZ-IOASZLSFSA-N 1 2 369.387 2.866 20 30 FFEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)cc1 ZINC000827852919 1018788634 /nfs/dbraw/zinc/78/86/34/1018788634.db2.gz ZINHEDAYJDQGKZ-IOASZLSFSA-N 1 2 369.387 2.866 20 30 FFEDLO CCn1cncc1/C=C1/CN(C(C)C)C/C(=C\c2c[nH+]cn2CC)C1=O ZINC000901415919 1019059998 /nfs/dbraw/zinc/05/99/98/1019059998.db2.gz CGCXRHPSBBOJBH-NIVQCIBKSA-N 1 2 353.470 2.880 20 30 FFEDLO CCn1cncc1/C=C1\CN(C(C)C)C/C(=C/c2c[nH+]cn2CC)C1=O ZINC000901415919 1019060009 /nfs/dbraw/zinc/06/00/09/1019060009.db2.gz CGCXRHPSBBOJBH-NIVQCIBKSA-N 1 2 353.470 2.880 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001067892804 1019176166 /nfs/dbraw/zinc/17/61/66/1019176166.db2.gz IKGSJAVNWTUKBA-SYNTWQANSA-N 1 2 370.497 2.950 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3ccccc13)C2 ZINC001096187614 1019262119 /nfs/dbraw/zinc/26/21/19/1019262119.db2.gz NTBXGPGXPKEKNC-LMNJBCLMSA-N 1 2 371.444 2.741 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3ccccc13)C2 ZINC001096187614 1019262123 /nfs/dbraw/zinc/26/21/23/1019262123.db2.gz NTBXGPGXPKEKNC-LMNJBCLMSA-N 1 2 371.444 2.741 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CC[C@H](C4CC4)O3)CC2)cc1 ZINC000929363435 1019389869 /nfs/dbraw/zinc/38/98/69/1019389869.db2.gz QTEIVELDPOJPLR-VQTJNVASSA-N 1 2 353.466 2.550 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC)CC1 ZINC000801869714 1019464032 /nfs/dbraw/zinc/46/40/32/1019464032.db2.gz IBNDJVCZIZVEKK-HNNXBMFYSA-N 1 2 373.888 2.847 20 30 FFEDLO COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)o1 ZINC001098095408 1019465883 /nfs/dbraw/zinc/46/58/83/1019465883.db2.gz PCXTYXCTZWLDQE-OIISXLGYSA-N 1 2 369.396 2.834 20 30 FFEDLO COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)o1 ZINC001098095408 1019465892 /nfs/dbraw/zinc/46/58/92/1019465892.db2.gz PCXTYXCTZWLDQE-OIISXLGYSA-N 1 2 369.396 2.834 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)c(C)o1 ZINC001096232889 1019505399 /nfs/dbraw/zinc/50/53/99/1019505399.db2.gz QTPZUVBEEHGDTG-NJAFHUGGSA-N 1 2 368.412 2.838 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)c(C)o1 ZINC001096232889 1019505422 /nfs/dbraw/zinc/50/54/22/1019505422.db2.gz QTPZUVBEEHGDTG-NJAFHUGGSA-N 1 2 368.412 2.838 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C(C)(C)C1 ZINC001069621176 1019518103 /nfs/dbraw/zinc/51/81/03/1019518103.db2.gz FYTSBDKWIPHSJB-IXDOHACOSA-N 1 2 370.497 2.902 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@@H+](C)Cc2nc([C@H](C)OCC)no2)cc1 ZINC000929724156 1019608331 /nfs/dbraw/zinc/60/83/31/1019608331.db2.gz QICYUNAVURDHDA-AWEZNQCLSA-N 1 2 356.426 2.609 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@H+](C)Cc2nc([C@H](C)OCC)no2)cc1 ZINC000929724156 1019608340 /nfs/dbraw/zinc/60/83/40/1019608340.db2.gz QICYUNAVURDHDA-AWEZNQCLSA-N 1 2 356.426 2.609 20 30 FFEDLO C#CC[N@@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)Cc1ccccc1 ZINC000796639174 1019614899 /nfs/dbraw/zinc/61/48/99/1019614899.db2.gz IHMZZMDCXRAVJO-NRFANRHFSA-N 1 2 366.436 2.861 20 30 FFEDLO C#CC[N@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)Cc1ccccc1 ZINC000796639174 1019614904 /nfs/dbraw/zinc/61/49/04/1019614904.db2.gz IHMZZMDCXRAVJO-NRFANRHFSA-N 1 2 366.436 2.861 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](CCOC2CCCCCC2)C1 ZINC001044038464 1019640260 /nfs/dbraw/zinc/64/02/60/1019640260.db2.gz ZPNHNJRQUMKRQQ-PMACEKPBSA-N 1 2 364.530 2.850 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc(-c2ccccc2)o1 ZINC000929826846 1019674361 /nfs/dbraw/zinc/67/43/61/1019674361.db2.gz YNEHBJUTSMDRDE-OAHLLOKOSA-N 1 2 360.421 2.714 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc(-c2ccccc2)o1 ZINC000929826846 1019674366 /nfs/dbraw/zinc/67/43/66/1019674366.db2.gz YNEHBJUTSMDRDE-OAHLLOKOSA-N 1 2 360.421 2.714 20 30 FFEDLO COC(=O)[C@H](OC(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccc(C#N)cc1 ZINC000780087102 1019961442 /nfs/dbraw/zinc/96/14/42/1019961442.db2.gz CCCKENHWEIALBT-ZWKOTPCHSA-N 1 2 352.390 2.618 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CCc2ccccc2)CC1 ZINC000802285655 1019964082 /nfs/dbraw/zinc/96/40/82/1019964082.db2.gz GYMFAODLBTVIDR-GOSISDBHSA-N 1 2 351.498 2.790 20 30 FFEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(C#N)c(C)n1 ZINC001048212081 1020003297 /nfs/dbraw/zinc/00/32/97/1020003297.db2.gz FTMSQZAKVPPXQV-DYVFJYSZSA-N 1 2 366.469 2.575 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)CSC(C)C)C[C@@H]21 ZINC001222284336 1032868630 /nfs/dbraw/zinc/86/86/30/1032868630.db2.gz WBSKKYDZGZPTOE-KGLIPLIRSA-N 1 2 361.349 2.959 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)CSC(C)C)C[C@@H]21 ZINC001222284336 1032868643 /nfs/dbraw/zinc/86/86/43/1032868643.db2.gz WBSKKYDZGZPTOE-KGLIPLIRSA-N 1 2 361.349 2.959 20 30 FFEDLO CCCC[C@H](C)C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001217784558 1032871069 /nfs/dbraw/zinc/87/10/69/1032871069.db2.gz SUTSBZRQDCKXLL-SESVDKBCSA-N 1 2 354.494 2.776 20 30 FFEDLO CCCC[C@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001217784558 1032871087 /nfs/dbraw/zinc/87/10/87/1032871087.db2.gz SUTSBZRQDCKXLL-SESVDKBCSA-N 1 2 354.494 2.776 20 30 FFEDLO C[C@H](CC(=O)N1CC[C@@H](C)C[C@H]1CNc1ncccc1C#N)n1cc[nH+]c1 ZINC001048363483 1020161243 /nfs/dbraw/zinc/16/12/43/1020161243.db2.gz CESNSBKOYRAEEV-NUJGCVRESA-N 1 2 366.469 2.840 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110997926 1020175596 /nfs/dbraw/zinc/17/55/96/1020175596.db2.gz XCCDTLYKMHMVMG-RSPOEFSDSA-N 1 2 373.472 2.980 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110997926 1020175605 /nfs/dbraw/zinc/17/56/05/1020175605.db2.gz XCCDTLYKMHMVMG-RSPOEFSDSA-N 1 2 373.472 2.980 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)nc1 ZINC001096372648 1020262526 /nfs/dbraw/zinc/26/25/26/1020262526.db2.gz ZQDCZFRXIQZSPU-CCKFTAQKSA-N 1 2 362.458 2.531 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)nc1 ZINC001096372648 1020262527 /nfs/dbraw/zinc/26/25/27/1020262527.db2.gz ZQDCZFRXIQZSPU-CCKFTAQKSA-N 1 2 362.458 2.531 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)nc1 ZINC001096379223 1020289945 /nfs/dbraw/zinc/28/99/45/1020289945.db2.gz JQCAUCSGSANQSM-QMMLZNLJSA-N 1 2 374.419 2.609 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)nc1 ZINC001096379223 1020289955 /nfs/dbraw/zinc/28/99/55/1020289955.db2.gz JQCAUCSGSANQSM-QMMLZNLJSA-N 1 2 374.419 2.609 20 30 FFEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3CCOC[C@@H]3CC3CCOCC3)n2)cc1 ZINC000902669599 1020388586 /nfs/dbraw/zinc/38/85/86/1020388586.db2.gz IKXPNHZOMICOEH-FQEVSTJZSA-N 1 2 366.465 2.897 20 30 FFEDLO N#Cc1ccc(-c2ccn(C[N@H+]3CCOC[C@@H]3CC3CCOCC3)n2)cc1 ZINC000902669599 1020388588 /nfs/dbraw/zinc/38/85/88/1020388588.db2.gz IKXPNHZOMICOEH-FQEVSTJZSA-N 1 2 366.465 2.897 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903028211 1020639364 /nfs/dbraw/zinc/63/93/64/1020639364.db2.gz KKKXITPBLRNTNM-HNNXBMFYSA-N 1 2 369.494 2.880 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903028211 1020639369 /nfs/dbraw/zinc/63/93/69/1020639369.db2.gz KKKXITPBLRNTNM-HNNXBMFYSA-N 1 2 369.494 2.880 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(F)cc(F)c2)cn1 ZINC001098245575 1020760020 /nfs/dbraw/zinc/76/00/20/1020760020.db2.gz RJSZMJNIYXAZPY-AQNXPRMDSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(F)cc(F)c2)cn1 ZINC001098245575 1020760027 /nfs/dbraw/zinc/76/00/27/1020760027.db2.gz RJSZMJNIYXAZPY-AQNXPRMDSA-N 1 2 367.399 2.876 20 30 FFEDLO C[C@H]([NH2+][C@@H](c1ncccn1)C1CC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000932359420 1020780270 /nfs/dbraw/zinc/78/02/70/1020780270.db2.gz DVKQUJCUAFERFR-KBXCAEBGSA-N 1 2 367.428 2.992 20 30 FFEDLO CC(C)C[N@H+](Cc1ccccn1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000932445327 1020804286 /nfs/dbraw/zinc/80/42/86/1020804286.db2.gz DDCYYKKTHZYSMQ-UHFFFAOYSA-N 1 2 361.449 2.973 20 30 FFEDLO CC(C)C[N@@H+](Cc1ccccn1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000932445327 1020804290 /nfs/dbraw/zinc/80/42/90/1020804290.db2.gz DDCYYKKTHZYSMQ-UHFFFAOYSA-N 1 2 361.449 2.973 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000932692821 1020873296 /nfs/dbraw/zinc/87/32/96/1020873296.db2.gz FJROKIRJEOLGNV-IBGZPJMESA-N 1 2 363.433 2.549 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000932692821 1020873302 /nfs/dbraw/zinc/87/33/02/1020873302.db2.gz FJROKIRJEOLGNV-IBGZPJMESA-N 1 2 363.433 2.549 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)c(NC(C)=O)c1)C2 ZINC001098482107 1020951928 /nfs/dbraw/zinc/95/19/28/1020951928.db2.gz QLGVUNJHHVCLSF-XYPHTWIQSA-N 1 2 365.836 2.872 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)c(NC(C)=O)c1)C2 ZINC001098482107 1020951934 /nfs/dbraw/zinc/95/19/34/1020951934.db2.gz QLGVUNJHHVCLSF-XYPHTWIQSA-N 1 2 365.836 2.872 20 30 FFEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)Cc3cccc(C#N)c3)CC2)cc1 ZINC000749403188 1020971474 /nfs/dbraw/zinc/97/14/74/1020971474.db2.gz KYRSNRFZSSLZQY-UHFFFAOYSA-N 1 2 362.477 2.952 20 30 FFEDLO CC(F)(F)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001098691758 1021044632 /nfs/dbraw/zinc/04/46/32/1021044632.db2.gz QTSLSLZKQTXCBC-KSSFIOAISA-N 1 2 351.372 2.823 20 30 FFEDLO CC(F)(F)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001098691758 1021044635 /nfs/dbraw/zinc/04/46/35/1021044635.db2.gz QTSLSLZKQTXCBC-KSSFIOAISA-N 1 2 351.372 2.823 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(CC)on2)C1 ZINC001099126061 1021874837 /nfs/dbraw/zinc/87/48/37/1021874837.db2.gz IQRIHHINPYHAGD-LRDDRELGSA-N 1 2 368.275 2.730 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(CC)on2)C1 ZINC001099126061 1021874850 /nfs/dbraw/zinc/87/48/50/1021874850.db2.gz IQRIHHINPYHAGD-LRDDRELGSA-N 1 2 368.275 2.730 20 30 FFEDLO N#Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)CC2CC2)C[C@H]1C(F)(F)F ZINC001099200459 1022065667 /nfs/dbraw/zinc/06/56/67/1022065667.db2.gz VXMYHLGOAGQWFT-HZPDHXFCSA-N 1 2 351.372 2.837 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)C[NH2+]1 ZINC001218174488 1033030144 /nfs/dbraw/zinc/03/01/44/1033030144.db2.gz FGXRHBKVAZTUOJ-KSEZFFFOSA-N 1 2 351.402 2.865 20 30 FFEDLO N#Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1C(F)(F)F ZINC001099257049 1022178203 /nfs/dbraw/zinc/17/82/03/1022178203.db2.gz RNCGVLMQKDPQOK-HZPDHXFCSA-N 1 2 362.355 2.679 20 30 FFEDLO O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O[C@@H]1C[NH2+]CC1(F)F ZINC001218235244 1033062695 /nfs/dbraw/zinc/06/26/95/1033062695.db2.gz KFHSHFISUYJEHD-BYVAAYKLSA-N 1 2 361.344 2.980 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1oc(CCC)nc1C ZINC001038267278 1022642167 /nfs/dbraw/zinc/64/21/67/1022642167.db2.gz RDXPVHKMIXEPAY-BBWFWOEESA-N 1 2 361.486 2.607 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1oc(CCC)nc1C ZINC001038267278 1022642175 /nfs/dbraw/zinc/64/21/75/1022642175.db2.gz RDXPVHKMIXEPAY-BBWFWOEESA-N 1 2 361.486 2.607 20 30 FFEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000780318199 1022834205 /nfs/dbraw/zinc/83/42/05/1022834205.db2.gz FUILISZPJMRDFV-PMACEKPBSA-N 1 2 357.404 2.881 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001095792085 1022877410 /nfs/dbraw/zinc/87/74/10/1022877410.db2.gz LZNBUIHUISAOBJ-CJGGRQNCSA-N 1 2 371.456 2.734 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001095792085 1022877414 /nfs/dbraw/zinc/87/74/14/1022877414.db2.gz LZNBUIHUISAOBJ-CJGGRQNCSA-N 1 2 371.456 2.734 20 30 FFEDLO CC(C)c1cc(N2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC001040542021 1022889676 /nfs/dbraw/zinc/88/96/76/1022889676.db2.gz WQUWHQFQOKBDKN-HLLBOEOZSA-N 1 2 355.486 2.920 20 30 FFEDLO N#CC1(C[NH+]2CCC(N(C(=O)C(F)(F)F)c3cccnc3)CC2)CC1 ZINC001119801944 1023103187 /nfs/dbraw/zinc/10/31/87/1023103187.db2.gz QIYNPZPLWKKWBY-UHFFFAOYSA-N 1 2 352.360 2.745 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C)C3(CCC3)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001122396235 1023241481 /nfs/dbraw/zinc/24/14/81/1023241481.db2.gz YQBQVKANRMPRHZ-SQGPQFPESA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C)C3(CCC3)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001122396235 1023241492 /nfs/dbraw/zinc/24/14/92/1023241492.db2.gz YQBQVKANRMPRHZ-SQGPQFPESA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H](OCC2CC2)C1 ZINC001122400596 1023245763 /nfs/dbraw/zinc/24/57/63/1023245763.db2.gz SMTZPOOIGWSRLY-KRWDZBQOSA-N 1 2 370.501 2.574 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCO[C@H](CC(F)(F)F)C1 ZINC001122442238 1023271406 /nfs/dbraw/zinc/27/14/06/1023271406.db2.gz ZZDYQWNHYBRERT-KGLIPLIRSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCO[C@H](CC(F)(F)F)C1 ZINC001122442238 1023271413 /nfs/dbraw/zinc/27/14/13/1023271413.db2.gz ZZDYQWNHYBRERT-KGLIPLIRSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cccc2[nH+]ccn21 ZINC001490844822 1023285400 /nfs/dbraw/zinc/28/54/00/1023285400.db2.gz SCKQCJFPGGAHIF-OAGGEKHMSA-N 1 2 366.465 2.798 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001122623084 1023375423 /nfs/dbraw/zinc/37/54/23/1023375423.db2.gz PNAJKRRFJSXNEP-KBPBESRZSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001122623084 1023375430 /nfs/dbraw/zinc/37/54/30/1023375430.db2.gz PNAJKRRFJSXNEP-KBPBESRZSA-N 1 2 373.423 2.779 20 30 FFEDLO Cc1nn(-c2ccc(F)cc2)c(C)c1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753937660 1023402879 /nfs/dbraw/zinc/40/28/79/1023402879.db2.gz YOBCBFNXQOJJAN-QZTJIDSGSA-N 1 2 354.433 2.822 20 30 FFEDLO COc1ccc(OCC2N=NC(=S)N2N=C2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000753955583 1023405920 /nfs/dbraw/zinc/40/59/20/1023405920.db2.gz PXRVSVIAYPUCCN-GFCCVEGCSA-N 1 2 373.482 2.615 20 30 FFEDLO COc1ccc(OCC2N=NC(=S)N2N=C2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000753955583 1023405923 /nfs/dbraw/zinc/40/59/23/1023405923.db2.gz PXRVSVIAYPUCCN-GFCCVEGCSA-N 1 2 373.482 2.615 20 30 FFEDLO C=CCO[C@@H]1CCN(c2nnc(C[NH+]3CCCC3)n2Cc2cccs2)C1 ZINC001122906945 1023545880 /nfs/dbraw/zinc/54/58/80/1023545880.db2.gz FACRSWLMJPXJSV-MRXNPFEDSA-N 1 2 373.526 2.765 20 30 FFEDLO CC[C@@H]1C[C@H]1C(=O)N1CCC2(CC1)C[N@H+](CC#Cc1ccccc1)CCO2 ZINC000949477334 1023546617 /nfs/dbraw/zinc/54/66/17/1023546617.db2.gz VQTUXPQUHHIARH-NHCUHLMSSA-N 1 2 366.505 2.778 20 30 FFEDLO CC[C@@H]1C[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](CC#Cc1ccccc1)CCO2 ZINC000949477334 1023546620 /nfs/dbraw/zinc/54/66/20/1023546620.db2.gz VQTUXPQUHHIARH-NHCUHLMSSA-N 1 2 366.505 2.778 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC(C)C)C2 ZINC001111479262 1023621782 /nfs/dbraw/zinc/62/17/82/1023621782.db2.gz OIQWODOAPLVCBO-RLLQIKCJSA-N 1 2 369.509 2.522 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC(C)C)C2 ZINC001111479262 1023621784 /nfs/dbraw/zinc/62/17/84/1023621784.db2.gz OIQWODOAPLVCBO-RLLQIKCJSA-N 1 2 369.509 2.522 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3CCC)[C@H]2C1 ZINC001222767783 1033152297 /nfs/dbraw/zinc/15/22/97/1033152297.db2.gz NIWMONGIKPOXDC-SJORKVTESA-N 1 2 359.518 2.713 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3CCC)[C@H]2C1 ZINC001222767783 1033152301 /nfs/dbraw/zinc/15/23/01/1033152301.db2.gz NIWMONGIKPOXDC-SJORKVTESA-N 1 2 359.518 2.713 20 30 FFEDLO C=CC[C@@H]1N(c2nnc(C[NH+]3CCC(CO)CC3)n2C)CCCC1(C)C ZINC001121484583 1023803542 /nfs/dbraw/zinc/80/35/42/1023803542.db2.gz MDQVZZOFZIORPF-KRWDZBQOSA-N 1 2 361.534 2.591 20 30 FFEDLO CSCC(C)(C)C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001123462552 1023814003 /nfs/dbraw/zinc/81/40/03/1023814003.db2.gz MLKABUJFUHGPJI-UHFFFAOYSA-N 1 2 367.536 2.864 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC(C2CCCCC2)CC1 ZINC001121509737 1023818629 /nfs/dbraw/zinc/81/86/29/1023818629.db2.gz IFSTWQCMYUFGIR-OALUTQOASA-N 1 2 373.545 2.998 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC(C2CCCCC2)CC1 ZINC001121509737 1023818636 /nfs/dbraw/zinc/81/86/36/1023818636.db2.gz IFSTWQCMYUFGIR-OALUTQOASA-N 1 2 373.545 2.998 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001121584128 1023864102 /nfs/dbraw/zinc/86/41/02/1023864102.db2.gz HQEWKNCOSYACAK-HXUWFJFHSA-N 1 2 367.501 2.687 20 30 FFEDLO C=CCn1c(N2CCC(C)(C(C)C)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121607752 1023878073 /nfs/dbraw/zinc/87/80/73/1023878073.db2.gz PKWABOOXYBWZNS-UZLBHIALSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC(C)(C(C)C)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121607752 1023878083 /nfs/dbraw/zinc/87/80/83/1023878083.db2.gz PKWABOOXYBWZNS-UZLBHIALSA-N 1 2 361.534 2.638 20 30 FFEDLO CCNc1cc(CNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc[nH+]1 ZINC001123621031 1023905586 /nfs/dbraw/zinc/90/55/86/1023905586.db2.gz DIFABXQYBKPVAS-SFHVURJKSA-N 1 2 365.437 2.668 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCCC[C@H](COC)C1 ZINC001121713451 1023941573 /nfs/dbraw/zinc/94/15/73/1023941573.db2.gz YBQLWOFCXJJCPE-KRWDZBQOSA-N 1 2 374.533 2.644 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C)n3CC)C[C@@]2(C)C1 ZINC001101248521 1024184104 /nfs/dbraw/zinc/18/41/04/1024184104.db2.gz GVFZGFYKIPKKDQ-NQIIRXRSSA-N 1 2 371.529 2.655 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C)n3CC)C[C@@]2(C)C1 ZINC001101248521 1024184108 /nfs/dbraw/zinc/18/41/08/1024184108.db2.gz GVFZGFYKIPKKDQ-NQIIRXRSSA-N 1 2 371.529 2.655 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3CCC)C[C@@]2(C)C1 ZINC001101251888 1024197649 /nfs/dbraw/zinc/19/76/49/1024197649.db2.gz QDLGRMUXFGGYBI-UZLBHIALSA-N 1 2 359.518 2.571 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@H+](Cc3ncnn3CCC)C[C@@]2(C)C1 ZINC001101251888 1024197656 /nfs/dbraw/zinc/19/76/56/1024197656.db2.gz QDLGRMUXFGGYBI-UZLBHIALSA-N 1 2 359.518 2.571 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001218524242 1033201849 /nfs/dbraw/zinc/20/18/49/1033201849.db2.gz VBHZSSSUADFKJH-DZFGPLHGSA-N 1 2 370.468 2.691 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001218524242 1033201863 /nfs/dbraw/zinc/20/18/63/1033201863.db2.gz VBHZSSSUADFKJH-DZFGPLHGSA-N 1 2 370.468 2.691 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)o3)C[C@@]2(C)C1 ZINC001101333442 1024476789 /nfs/dbraw/zinc/47/67/89/1024476789.db2.gz WAAIRJQJWIVASB-NBQZKYEYSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)o3)C[C@@]2(C)C1 ZINC001101333442 1024476794 /nfs/dbraw/zinc/47/67/94/1024476794.db2.gz WAAIRJQJWIVASB-NBQZKYEYSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(CCC)no3)C[C@@]2(C)C1 ZINC001101336577 1024484887 /nfs/dbraw/zinc/48/48/87/1024484887.db2.gz JDPMNGALCBAXDG-YRNRMSPPSA-N 1 2 360.502 2.905 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3nc(CCC)no3)C[C@@]2(C)C1 ZINC001101336577 1024484893 /nfs/dbraw/zinc/48/48/93/1024484893.db2.gz JDPMNGALCBAXDG-YRNRMSPPSA-N 1 2 360.502 2.905 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cc(Br)cnc2C)C1=O ZINC001276852420 1033215674 /nfs/dbraw/zinc/21/56/74/1033215674.db2.gz QXXPCAVIFUHOQY-QGZVFWFLSA-N 1 2 364.287 2.905 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(Br)cnc2C)C1=O ZINC001276852420 1033215681 /nfs/dbraw/zinc/21/56/81/1033215681.db2.gz QXXPCAVIFUHOQY-QGZVFWFLSA-N 1 2 364.287 2.905 20 30 FFEDLO COc1ccc([C@H](NC(=O)CO[NH+]=C(N)c2ccccc2)C2CC2)cc1 ZINC000193490353 1024543357 /nfs/dbraw/zinc/54/33/57/1024543357.db2.gz XWTCUKGWTNDRCU-LJQANCHMSA-N 1 2 353.422 2.600 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001101377788 1024584691 /nfs/dbraw/zinc/58/46/91/1024584691.db2.gz IFWDSWDZNDXTGP-UZLBHIALSA-N 1 2 359.518 2.742 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001101377788 1024584702 /nfs/dbraw/zinc/58/47/02/1024584702.db2.gz IFWDSWDZNDXTGP-UZLBHIALSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](CC(=O)c1ccccc1OC)CC2 ZINC001276860446 1033265862 /nfs/dbraw/zinc/26/58/62/1033265862.db2.gz VEWWDBUKIMDPHV-KRWDZBQOSA-N 1 2 356.466 2.672 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001101988092 1025252126 /nfs/dbraw/zinc/25/21/26/1025252126.db2.gz RVDZUCFKTNRRTR-BMFZPTHFSA-N 1 2 356.363 2.623 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001101988092 1025252131 /nfs/dbraw/zinc/25/21/31/1025252131.db2.gz RVDZUCFKTNRRTR-BMFZPTHFSA-N 1 2 356.363 2.623 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001101988092 1025252139 /nfs/dbraw/zinc/25/21/39/1025252139.db2.gz RVDZUCFKTNRRTR-BMFZPTHFSA-N 1 2 356.363 2.623 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001101988092 1025252146 /nfs/dbraw/zinc/25/21/46/1025252146.db2.gz RVDZUCFKTNRRTR-BMFZPTHFSA-N 1 2 356.363 2.623 20 30 FFEDLO C=C(C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2csc(NC(C)=O)n2)C[C@H]1C ZINC001102010542 1025291844 /nfs/dbraw/zinc/29/18/44/1025291844.db2.gz DFEAHDYEPBEDPZ-UKRRQHHQSA-N 1 2 364.515 2.642 20 30 FFEDLO C=C(C)CCC(=O)NC[C@@H]1C[N@H+](Cc2csc(NC(C)=O)n2)C[C@H]1C ZINC001102010542 1025291857 /nfs/dbraw/zinc/29/18/57/1025291857.db2.gz DFEAHDYEPBEDPZ-UKRRQHHQSA-N 1 2 364.515 2.642 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](Cc2ccccc2N(C)C)C1 ZINC000953830464 1025361977 /nfs/dbraw/zinc/36/19/77/1025361977.db2.gz ALUHOPLITNJRAS-FPOVZHCZSA-N 1 2 371.525 2.767 20 30 FFEDLO C#CC[N@@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)Cc1ccccc1 ZINC000796640025 1025371820 /nfs/dbraw/zinc/37/18/20/1025371820.db2.gz UJSWROUGKNTKFK-UHFFFAOYSA-N 1 2 372.472 2.666 20 30 FFEDLO C#CC[N@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)Cc1ccccc1 ZINC000796640025 1025371831 /nfs/dbraw/zinc/37/18/31/1025371831.db2.gz UJSWROUGKNTKFK-UHFFFAOYSA-N 1 2 372.472 2.666 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000954047673 1025432661 /nfs/dbraw/zinc/43/26/61/1025432661.db2.gz MHXXCYPHQWZIIW-JXXFODFXSA-N 1 2 358.486 2.565 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000954047673 1025432682 /nfs/dbraw/zinc/43/26/82/1025432682.db2.gz MHXXCYPHQWZIIW-JXXFODFXSA-N 1 2 358.486 2.565 20 30 FFEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1ccc(F)cc1C#N ZINC001141163776 1025548273 /nfs/dbraw/zinc/54/82/73/1025548273.db2.gz SHHIKJYNGYDBOY-LJQANCHMSA-N 1 2 369.444 2.710 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](Cc2cccc(-c3ccc(F)cc3)n2)CC1 ZINC001141209137 1025612019 /nfs/dbraw/zinc/61/20/19/1025612019.db2.gz RGDOLVQMEILLTG-UHFFFAOYSA-N 1 2 374.423 2.872 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1C ZINC001102263236 1025663688 /nfs/dbraw/zinc/66/36/88/1025663688.db2.gz ZJUJJMAOWGVOPG-BZUAXINKSA-N 1 2 361.534 2.889 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1C ZINC001102263236 1025663694 /nfs/dbraw/zinc/66/36/94/1025663694.db2.gz ZJUJJMAOWGVOPG-BZUAXINKSA-N 1 2 361.534 2.889 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001102328372 1025757130 /nfs/dbraw/zinc/75/71/30/1025757130.db2.gz GROFQFFEHPSKNL-QFSBIZTOSA-N 1 2 356.417 2.794 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001102328372 1025757138 /nfs/dbraw/zinc/75/71/38/1025757138.db2.gz GROFQFFEHPSKNL-QFSBIZTOSA-N 1 2 356.417 2.794 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1CCNC(=O)C#CC1CC1 ZINC001102963238 1026837052 /nfs/dbraw/zinc/83/70/52/1026837052.db2.gz RVUQYMYRJCPVOH-TZMCWYRMSA-N 1 2 351.903 2.784 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1CCNC(=O)C#CC1CC1 ZINC001102963238 1026837061 /nfs/dbraw/zinc/83/70/61/1026837061.db2.gz RVUQYMYRJCPVOH-TZMCWYRMSA-N 1 2 351.903 2.784 20 30 FFEDLO C=CCC(CC=C)C(=O)NCC[C@@H]1C[N@H+](Cc2noc(CC)n2)C[C@H]1C ZINC001103022025 1026890410 /nfs/dbraw/zinc/89/04/10/1026890410.db2.gz UPAFFXHRNFNWNC-NVXWUHKLSA-N 1 2 360.502 2.975 20 30 FFEDLO C=CCC(CC=C)C(=O)NCC[C@@H]1C[N@@H+](Cc2noc(CC)n2)C[C@H]1C ZINC001103022025 1026890419 /nfs/dbraw/zinc/89/04/19/1026890419.db2.gz UPAFFXHRNFNWNC-NVXWUHKLSA-N 1 2 360.502 2.975 20 30 FFEDLO CN1C(=O)CCC12CC[NH+](Cc1ccc(Br)cc1C#N)CC2 ZINC001141818680 1027009857 /nfs/dbraw/zinc/00/98/57/1027009857.db2.gz QKORHPVCEWQRPU-UHFFFAOYSA-N 1 2 362.271 2.908 20 30 FFEDLO Cc1cnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c(C#N)n1 ZINC001158550992 1027058556 /nfs/dbraw/zinc/05/85/56/1027058556.db2.gz DPFSPRBAVDFRNO-INIZCTEOSA-N 1 2 361.371 2.910 20 30 FFEDLO Cc1cnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c(C#N)n1 ZINC001158550992 1027058565 /nfs/dbraw/zinc/05/85/65/1027058565.db2.gz DPFSPRBAVDFRNO-INIZCTEOSA-N 1 2 361.371 2.910 20 30 FFEDLO CC#CC[NH2+]Cc1cn(Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)nn1 ZINC000641111698 1027115127 /nfs/dbraw/zinc/11/51/27/1027115127.db2.gz FQXUTSZWBPISOO-UHFFFAOYSA-N 1 2 366.856 2.858 20 30 FFEDLO CCOC(=O)c1cc2cc[nH+]c(N3CC(Oc4ccccc4C#N)C3)c2[nH]1 ZINC001158772011 1027130773 /nfs/dbraw/zinc/13/07/73/1027130773.db2.gz LSCHTIXRIOXCEI-UHFFFAOYSA-N 1 2 362.389 2.879 20 30 FFEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1 ZINC000091923643 1027134130 /nfs/dbraw/zinc/13/41/30/1027134130.db2.gz NTWAUDYOKTUNCN-INIZCTEOSA-N 1 2 365.433 2.641 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCCN(c2[nH+]ccc3cc(C(=O)OCC)[nH]c32)C1 ZINC001158906451 1027183424 /nfs/dbraw/zinc/18/34/24/1027183424.db2.gz BFYQXFNTAGVKOO-CQSZACIVSA-N 1 2 372.425 2.621 20 30 FFEDLO CCC(CC)n1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H](C)C#N)C2)n1 ZINC001111666888 1029094895 /nfs/dbraw/zinc/09/48/95/1029094895.db2.gz ODACSPOBTDOKAR-GUXCAODWSA-N 1 2 357.502 2.875 20 30 FFEDLO CCC(CC)n1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H](C)C#N)C2)n1 ZINC001111666888 1029094914 /nfs/dbraw/zinc/09/49/14/1029094914.db2.gz ODACSPOBTDOKAR-GUXCAODWSA-N 1 2 357.502 2.875 20 30 FFEDLO C#CCCCCCC(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000781344424 1029154127 /nfs/dbraw/zinc/15/41/27/1029154127.db2.gz WKKIMGZAJWTDCI-UHFFFAOYSA-N 1 2 355.482 2.873 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(C(C)(C)C)no1)C2 ZINC001111730654 1029260669 /nfs/dbraw/zinc/26/06/69/1029260669.db2.gz WPAUZNQCAOPZGA-YWZLYKJASA-N 1 2 358.486 2.641 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(C(C)(C)C)no1)C2 ZINC001111730654 1029260683 /nfs/dbraw/zinc/26/06/83/1029260683.db2.gz WPAUZNQCAOPZGA-YWZLYKJASA-N 1 2 358.486 2.641 20 30 FFEDLO CCN(CC)C(=O)c1nc2c(s1)CCN(c1cc(CC#N)cc[nH+]1)CC2 ZINC001165521726 1030009040 /nfs/dbraw/zinc/00/90/40/1030009040.db2.gz VFKKISDQRVFKOG-UHFFFAOYSA-N 1 2 369.494 2.691 20 30 FFEDLO CC(C)CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001112105958 1030016932 /nfs/dbraw/zinc/01/69/32/1030016932.db2.gz NFEYPJZGLMNSPF-BBBLOLIVSA-N 1 2 352.294 2.912 20 30 FFEDLO CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001112105958 1030016943 /nfs/dbraw/zinc/01/69/43/1030016943.db2.gz NFEYPJZGLMNSPF-BBBLOLIVSA-N 1 2 352.294 2.912 20 30 FFEDLO N#Cc1ccc2ccnc(N3CCc4onc(Cn5cc[nH+]c5)c4C3)c2c1 ZINC001165548806 1030021720 /nfs/dbraw/zinc/02/17/20/1030021720.db2.gz FHPOLACJNKKRFB-UHFFFAOYSA-N 1 2 356.389 2.902 20 30 FFEDLO N#Cc1cc(Cl)cnc1N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001165689888 1030083077 /nfs/dbraw/zinc/08/30/77/1030083077.db2.gz BDNVPRYFWHKKBP-AWEZNQCLSA-N 1 2 357.845 2.866 20 30 FFEDLO N#Cc1c[nH]c2cc[nH+]c(N3CC[C@]4(C[C@@H](Oc5cccnc5)CO4)C3)c12 ZINC001166161800 1030282859 /nfs/dbraw/zinc/28/28/59/1030282859.db2.gz VNSKEKFTDRMANX-UZLBHIALSA-N 1 2 361.405 2.646 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001115087541 1031025440 /nfs/dbraw/zinc/02/54/40/1031025440.db2.gz VDNWXLMSMUOWIX-XYPHTWIQSA-N 1 2 358.486 2.950 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2c[nH]c3cc(C#N)ccc23)Cc2nnn(CC)c21 ZINC001142916240 1031047536 /nfs/dbraw/zinc/04/75/36/1031047536.db2.gz BLIGQXXBTKITJV-INIZCTEOSA-N 1 2 364.453 2.787 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)Cc2nnn(CC)c21 ZINC001142916240 1031047547 /nfs/dbraw/zinc/04/75/47/1031047547.db2.gz BLIGQXXBTKITJV-INIZCTEOSA-N 1 2 364.453 2.787 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1c(C)[nH]c2ccccc21 ZINC001204289999 1031210921 /nfs/dbraw/zinc/21/09/21/1031210921.db2.gz PFVQHLGRYCUWLN-LJQANCHMSA-N 1 2 351.454 2.907 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1c(C)[nH]c2ccccc21 ZINC001204289999 1031210936 /nfs/dbraw/zinc/21/09/36/1031210936.db2.gz PFVQHLGRYCUWLN-LJQANCHMSA-N 1 2 351.454 2.907 20 30 FFEDLO CC#CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1c1cccc(F)c1 ZINC001205410012 1031723961 /nfs/dbraw/zinc/72/39/61/1031723961.db2.gz SMQWDKFOXNWDTP-ZNMIVQPWSA-N 1 2 360.326 2.633 20 30 FFEDLO CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1c1cccc(F)c1 ZINC001205410012 1031723975 /nfs/dbraw/zinc/72/39/75/1031723975.db2.gz SMQWDKFOXNWDTP-ZNMIVQPWSA-N 1 2 360.326 2.633 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)Cc3ccccc3)CC2)ccc1F ZINC001205496730 1031789298 /nfs/dbraw/zinc/78/92/98/1031789298.db2.gz OLKSCYBVAMWFPH-UHFFFAOYSA-N 1 2 351.425 2.974 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)Cc3ccccc3)CC2)ccc1F ZINC001205496730 1031789311 /nfs/dbraw/zinc/78/93/11/1031789311.db2.gz OLKSCYBVAMWFPH-UHFFFAOYSA-N 1 2 351.425 2.974 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001223586544 1033504937 /nfs/dbraw/zinc/50/49/37/1033504937.db2.gz CGACBTVPIZNYLA-SJORKVTESA-N 1 2 359.518 2.884 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001223586544 1033504945 /nfs/dbraw/zinc/50/49/45/1033504945.db2.gz CGACBTVPIZNYLA-SJORKVTESA-N 1 2 359.518 2.884 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@@H]1O ZINC001219492401 1033668713 /nfs/dbraw/zinc/66/87/13/1033668713.db2.gz KNPSNRUZEVHUDZ-VHSSKADRSA-N 1 2 366.864 2.895 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@@H]1O ZINC001219492401 1033668719 /nfs/dbraw/zinc/66/87/19/1033668719.db2.gz KNPSNRUZEVHUDZ-VHSSKADRSA-N 1 2 366.864 2.895 20 30 FFEDLO C#CCN1C(=O)COCC12C[NH+](Cc1sc(Cl)c3ccccc31)C2 ZINC001276937713 1033678759 /nfs/dbraw/zinc/67/87/59/1033678759.db2.gz GHBHGNPVKODQEL-UHFFFAOYSA-N 1 2 360.866 2.601 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001220128076 1033995224 /nfs/dbraw/zinc/99/52/24/1033995224.db2.gz RUDNFSVQNUMVHP-JLZZUVOBSA-N 1 2 352.425 2.789 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001220128076 1033995233 /nfs/dbraw/zinc/99/52/33/1033995233.db2.gz RUDNFSVQNUMVHP-JLZZUVOBSA-N 1 2 352.425 2.789 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2Cl)C[C@@H]1O ZINC001220133838 1033999666 /nfs/dbraw/zinc/99/96/66/1033999666.db2.gz OWENQHYOKUAPQK-CABCVRRESA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2Cl)C[C@@H]1O ZINC001220133838 1033999680 /nfs/dbraw/zinc/99/96/80/1033999680.db2.gz OWENQHYOKUAPQK-CABCVRRESA-N 1 2 366.889 2.612 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccc(C)cc3)no2)C[C@@H]1O ZINC001220147824 1034004230 /nfs/dbraw/zinc/00/42/30/1034004230.db2.gz OZNJLLGKCKUJMJ-MOPGFXCFSA-N 1 2 369.465 2.524 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccc(C)cc3)no2)C[C@@H]1O ZINC001220147824 1034004245 /nfs/dbraw/zinc/00/42/45/1034004245.db2.gz OZNJLLGKCKUJMJ-MOPGFXCFSA-N 1 2 369.465 2.524 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Cl)cnc1OC(C)C ZINC001276996803 1034006286 /nfs/dbraw/zinc/00/62/86/1034006286.db2.gz OOPQUSHODRLADC-IAGOWNOFSA-N 1 2 361.873 2.721 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)cnc1OC(C)C ZINC001276996803 1034006288 /nfs/dbraw/zinc/00/62/88/1034006288.db2.gz OOPQUSHODRLADC-IAGOWNOFSA-N 1 2 361.873 2.721 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)C[C@@H]1O ZINC001220293441 1034103763 /nfs/dbraw/zinc/10/37/63/1034103763.db2.gz HQEDCKWBUQYQQY-ZIFCJYIRSA-N 1 2 350.890 2.912 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)C[C@@H]1O ZINC001220293441 1034103768 /nfs/dbraw/zinc/10/37/68/1034103768.db2.gz HQEDCKWBUQYQQY-ZIFCJYIRSA-N 1 2 350.890 2.912 20 30 FFEDLO CCCCCCCC(=O)c1ccc(O)c(C(=O)NCCN(C)CC[NH3+])c1 ZINC001220517697 1034236644 /nfs/dbraw/zinc/23/66/44/1034236644.db2.gz WJPZCNIQSJUTDG-UHFFFAOYSA-N 1 2 363.502 2.556 20 30 FFEDLO CC[C@H](CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)C(C)(C)C ZINC001220746568 1034371727 /nfs/dbraw/zinc/37/17/27/1034371727.db2.gz FVIKUJFLBXLLNI-AQNXPRMDSA-N 1 2 356.510 2.662 20 30 FFEDLO CC[C@H](CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)C(C)(C)C ZINC001220746568 1034371742 /nfs/dbraw/zinc/37/17/42/1034371742.db2.gz FVIKUJFLBXLLNI-AQNXPRMDSA-N 1 2 356.510 2.662 20 30 FFEDLO C[C@H](CCC(C)(C)C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220764253 1034385433 /nfs/dbraw/zinc/38/54/33/1034385433.db2.gz DXVGGSYPFIUMKO-RLLQIKCJSA-N 1 2 356.510 2.662 20 30 FFEDLO C[C@H](CCC(C)(C)C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220764253 1034385439 /nfs/dbraw/zinc/38/54/39/1034385439.db2.gz DXVGGSYPFIUMKO-RLLQIKCJSA-N 1 2 356.510 2.662 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H]3CN(C(=O)CCC(C)C)[C@@H]3C2)c1 ZINC001221261992 1034632305 /nfs/dbraw/zinc/63/23/05/1034632305.db2.gz MFFOZPQBIYWLBF-UYAOXDASSA-N 1 2 367.493 2.575 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)CCC(C)C)[C@@H]3C2)c1 ZINC001221261992 1034632310 /nfs/dbraw/zinc/63/23/10/1034632310.db2.gz MFFOZPQBIYWLBF-UYAOXDASSA-N 1 2 367.493 2.575 20 30 FFEDLO CC(C)SCC(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221284032 1034644861 /nfs/dbraw/zinc/64/48/61/1034644861.db2.gz NNVMGOCBDSHHPJ-IEBWSBKVSA-N 1 2 360.498 2.852 20 30 FFEDLO CC(C)SCC(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221284032 1034644870 /nfs/dbraw/zinc/64/48/70/1034644870.db2.gz NNVMGOCBDSHHPJ-IEBWSBKVSA-N 1 2 360.498 2.852 20 30 FFEDLO N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C(F)C(F)(F)F)c1 ZINC001226356445 1034647551 /nfs/dbraw/zinc/64/75/51/1034647551.db2.gz VQCURWVHGFXUJU-RBSFLKMASA-N 1 2 357.351 2.976 20 30 FFEDLO N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](F)C(F)(F)F)c1 ZINC001226356445 1034647556 /nfs/dbraw/zinc/64/75/56/1034647556.db2.gz VQCURWVHGFXUJU-RBSFLKMASA-N 1 2 357.351 2.976 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(CC)n1 ZINC001226460236 1034694186 /nfs/dbraw/zinc/69/41/86/1034694186.db2.gz JPHAHQMSTNKQOT-CHWSQXEVSA-N 1 2 354.882 2.928 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Cl)nc3)C[C@H]21 ZINC001221421597 1034733684 /nfs/dbraw/zinc/73/36/84/1034733684.db2.gz BTQIDMKQHKDZRV-USXIJHARSA-N 1 2 363.889 2.749 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(Cl)nc3)C[C@H]21 ZINC001221421597 1034733699 /nfs/dbraw/zinc/73/36/99/1034733699.db2.gz BTQIDMKQHKDZRV-USXIJHARSA-N 1 2 363.889 2.749 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3nc4ccccc4o3)C[C@H]21 ZINC001221422315 1034737170 /nfs/dbraw/zinc/73/71/70/1034737170.db2.gz XBTFUYPBZIZEEE-LZLYRXPVSA-N 1 2 369.465 2.842 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3nc4ccccc4o3)C[C@H]21 ZINC001221422315 1034737187 /nfs/dbraw/zinc/73/71/87/1034737187.db2.gz XBTFUYPBZIZEEE-LZLYRXPVSA-N 1 2 369.465 2.842 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(-c4ccccc4)on3)C[C@H]21 ZINC001221436493 1034760802 /nfs/dbraw/zinc/76/08/02/1034760802.db2.gz ZMJSYTLNUQXJOK-IEBWSBKVSA-N 1 2 367.449 2.577 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)on3)C[C@H]21 ZINC001221436493 1034760810 /nfs/dbraw/zinc/76/08/10/1034760810.db2.gz ZMJSYTLNUQXJOK-IEBWSBKVSA-N 1 2 367.449 2.577 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[N@H+](Cc3nsc4ccccc43)C[C@H]21 ZINC001221518226 1034836461 /nfs/dbraw/zinc/83/64/61/1034836461.db2.gz XHCYFQCYUDTQQA-WIBUTAKZSA-N 1 2 371.506 2.656 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[N@@H+](Cc3nsc4ccccc43)C[C@H]21 ZINC001221518226 1034836468 /nfs/dbraw/zinc/83/64/68/1034836468.db2.gz XHCYFQCYUDTQQA-WIBUTAKZSA-N 1 2 371.506 2.656 20 30 FFEDLO COCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)CCCC1 ZINC001221601434 1034907473 /nfs/dbraw/zinc/90/74/73/1034907473.db2.gz AOVHOXPYMLLGAB-WOJBJXKFSA-N 1 2 367.493 2.798 20 30 FFEDLO COCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)CCCC1 ZINC001221601434 1034907476 /nfs/dbraw/zinc/90/74/76/1034907476.db2.gz AOVHOXPYMLLGAB-WOJBJXKFSA-N 1 2 367.493 2.798 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC001139075155 1034919315 /nfs/dbraw/zinc/91/93/15/1034919315.db2.gz AUWWSDUNIAVWFD-ZDUSSCGKSA-N 1 2 352.818 2.945 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC001139075155 1034919320 /nfs/dbraw/zinc/91/93/20/1034919320.db2.gz AUWWSDUNIAVWFD-ZDUSSCGKSA-N 1 2 352.818 2.945 20 30 FFEDLO C=CCc1c(O)ccc(C(C)=O)c1O[C@@H]1C[C@@H]2[C@@H](OC(C)=O)C[C@H](C1)[N@H+]2C ZINC001227122297 1034940486 /nfs/dbraw/zinc/94/04/86/1034940486.db2.gz KQJVRBJCQWLBOU-VOGPDBBUSA-N 1 2 373.449 2.869 20 30 FFEDLO C=CCc1c(O)ccc(C(C)=O)c1O[C@@H]1C[C@@H]2[C@@H](OC(C)=O)C[C@H](C1)[N@@H+]2C ZINC001227122297 1034940493 /nfs/dbraw/zinc/94/04/93/1034940493.db2.gz KQJVRBJCQWLBOU-VOGPDBBUSA-N 1 2 373.449 2.869 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)c(C)o3)C[C@H]21 ZINC001221718394 1035008824 /nfs/dbraw/zinc/00/88/24/1035008824.db2.gz NFSQMQCHVCKCBD-HLIPFELVSA-N 1 2 361.486 2.553 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)c(C)o3)C[C@H]21 ZINC001221718394 1035008831 /nfs/dbraw/zinc/00/88/31/1035008831.db2.gz NFSQMQCHVCKCBD-HLIPFELVSA-N 1 2 361.486 2.553 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@H](C)CCC(C)C)C[C@H]21 ZINC001221735773 1035028276 /nfs/dbraw/zinc/02/82/76/1035028276.db2.gz VUIMHINPKGTQEZ-KZNAEPCWSA-N 1 2 363.546 2.672 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@H](C)CCC(C)C)C[C@H]21 ZINC001221735773 1035028283 /nfs/dbraw/zinc/02/82/83/1035028283.db2.gz VUIMHINPKGTQEZ-KZNAEPCWSA-N 1 2 363.546 2.672 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCCn3nc(C)cc3C)[C@@H]2C1 ZINC001221842442 1035107376 /nfs/dbraw/zinc/10/73/76/1035107376.db2.gz DIALNVFUYSDZKB-IAGOWNOFSA-N 1 2 350.894 2.565 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3nc(C)cc3C)[C@@H]2C1 ZINC001221842442 1035107382 /nfs/dbraw/zinc/10/73/82/1035107382.db2.gz DIALNVFUYSDZKB-IAGOWNOFSA-N 1 2 350.894 2.565 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1c(C)nc3cc(C)ccn31)CC2 ZINC001139678615 1035196362 /nfs/dbraw/zinc/19/63/62/1035196362.db2.gz PUCASLZXMXBEEP-UHFFFAOYSA-N 1 2 365.481 2.946 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1c(C)nc3cc(C)ccn31)CC2 ZINC001139678615 1035196367 /nfs/dbraw/zinc/19/63/67/1035196367.db2.gz PUCASLZXMXBEEP-UHFFFAOYSA-N 1 2 365.481 2.946 20 30 FFEDLO N#Cc1cccc2c(C[N@H+]3Cc4nccn4C[C@H](Cn4cccn4)C3)c[nH]c21 ZINC001139705022 1035202134 /nfs/dbraw/zinc/20/21/34/1035202134.db2.gz JRLYMSJKWQZJRH-MRXNPFEDSA-N 1 2 371.448 2.765 20 30 FFEDLO N#Cc1cccc2c(C[N@@H+]3Cc4nccn4C[C@H](Cn4cccn4)C3)c[nH]c21 ZINC001139705022 1035202139 /nfs/dbraw/zinc/20/21/39/1035202139.db2.gz JRLYMSJKWQZJRH-MRXNPFEDSA-N 1 2 371.448 2.765 20 30 FFEDLO C=CCn1cc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)cn1 ZINC001139769754 1035226031 /nfs/dbraw/zinc/22/60/31/1035226031.db2.gz PTJLZWDKMWTSSI-PZJWPPBQSA-N 1 2 368.481 2.914 20 30 FFEDLO C=CCn1cc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)cn1 ZINC001139769754 1035226035 /nfs/dbraw/zinc/22/60/35/1035226035.db2.gz PTJLZWDKMWTSSI-PZJWPPBQSA-N 1 2 368.481 2.914 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](Cc2ccc(C)nc2)Cc2nnn(CC3CC3)c21 ZINC001139930423 1035280673 /nfs/dbraw/zinc/28/06/73/1035280673.db2.gz PCHSBGLFCGZSQI-SFHVURJKSA-N 1 2 353.470 2.694 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](Cc2ccc(C)nc2)Cc2nnn(CC3CC3)c21 ZINC001139930423 1035280675 /nfs/dbraw/zinc/28/06/75/1035280675.db2.gz PCHSBGLFCGZSQI-SFHVURJKSA-N 1 2 353.470 2.694 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccnc(C(F)F)c1)C2 ZINC001277222093 1035617660 /nfs/dbraw/zinc/61/76/60/1035617660.db2.gz FUQXKQIVBCNPCG-LJQANCHMSA-N 1 2 365.424 2.646 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccnc(C(F)F)c1)C2 ZINC001277222093 1035617671 /nfs/dbraw/zinc/61/76/71/1035617671.db2.gz FUQXKQIVBCNPCG-LJQANCHMSA-N 1 2 365.424 2.646 20 30 FFEDLO CC[N@@H+](Cc1cc(C#N)ccc1O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001232681862 1035939248 /nfs/dbraw/zinc/93/92/48/1035939248.db2.gz WXKUQWJPROMONJ-NRFANRHFSA-N 1 2 365.477 2.987 20 30 FFEDLO CC[N@H+](Cc1cc(C#N)ccc1O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001232681862 1035939262 /nfs/dbraw/zinc/93/92/62/1035939262.db2.gz WXKUQWJPROMONJ-NRFANRHFSA-N 1 2 365.477 2.987 20 30 FFEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(Br)[nH]3)CC2)nc1 ZINC001232688632 1035943814 /nfs/dbraw/zinc/94/38/14/1035943814.db2.gz XSMBBMIUWMWXLA-UHFFFAOYSA-N 1 2 360.259 2.756 20 30 FFEDLO N#Cc1ccc(N2CCC[N@H+](Cc3ccc(Br)[nH]3)CC2)nc1 ZINC001232688632 1035943824 /nfs/dbraw/zinc/94/38/24/1035943824.db2.gz XSMBBMIUWMWXLA-UHFFFAOYSA-N 1 2 360.259 2.756 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)ccc1Br ZINC001232894688 1036136722 /nfs/dbraw/zinc/13/67/22/1036136722.db2.gz FMXNGSRZGPYQLF-QGZVFWFLSA-N 1 2 362.271 2.955 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCC[C@]3(CCCC(=O)N3)C2)ccc1Br ZINC001232894688 1036136733 /nfs/dbraw/zinc/13/67/33/1036136733.db2.gz FMXNGSRZGPYQLF-QGZVFWFLSA-N 1 2 362.271 2.955 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)c(C#N)c1 ZINC001232964768 1036192564 /nfs/dbraw/zinc/19/25/64/1036192564.db2.gz AHCDBQPEOVIDFK-RTWAWAEBSA-N 1 2 366.465 2.513 20 30 FFEDLO Cc1ccc(C[N@H+]2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)c(C#N)c1 ZINC001232964768 1036192569 /nfs/dbraw/zinc/19/25/69/1036192569.db2.gz AHCDBQPEOVIDFK-RTWAWAEBSA-N 1 2 366.465 2.513 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nccc4c(Br)cccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228593431 1036194183 /nfs/dbraw/zinc/19/41/83/1036194183.db2.gz OBTYHYDYWGIVTA-VMMDLRTJSA-N 1 2 361.239 2.989 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nccc4c(Br)cccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228593431 1036194192 /nfs/dbraw/zinc/19/41/92/1036194192.db2.gz OBTYHYDYWGIVTA-VMMDLRTJSA-N 1 2 361.239 2.989 20 30 FFEDLO Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3[nH]ccc3C#N)O2)cs1 ZINC001233045623 1036290962 /nfs/dbraw/zinc/29/09/62/1036290962.db2.gz XZXCMQRZBAWIFT-QXAKKESOSA-N 1 2 372.494 2.990 20 30 FFEDLO Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3[nH]ccc3C#N)O2)cs1 ZINC001233045623 1036290974 /nfs/dbraw/zinc/29/09/74/1036290974.db2.gz XZXCMQRZBAWIFT-QXAKKESOSA-N 1 2 372.494 2.990 20 30 FFEDLO Cc1ccc(N2CC[NH+](Cc3ccc(N(C)C)c(C#N)c3F)CC2)nc1 ZINC001233100245 1036346431 /nfs/dbraw/zinc/34/64/31/1036346431.db2.gz CWLDHUINPXBVEZ-UHFFFAOYSA-N 1 2 353.445 2.789 20 30 FFEDLO N#Cc1ccc([N+](=O)[O-])c(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001229187311 1036539365 /nfs/dbraw/zinc/53/93/65/1036539365.db2.gz YEXDPTDLENBXKP-QGZVFWFLSA-N 1 2 353.378 2.746 20 30 FFEDLO N#Cc1ccc([N+](=O)[O-])c(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001229187311 1036539368 /nfs/dbraw/zinc/53/93/68/1036539368.db2.gz YEXDPTDLENBXKP-QGZVFWFLSA-N 1 2 353.378 2.746 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2n[nH]c(=O)c3c2CCCC3)C1 ZINC001229222499 1036559203 /nfs/dbraw/zinc/55/92/03/1036559203.db2.gz CJPAAHSGDAETKS-MRXNPFEDSA-N 1 2 350.422 2.586 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2n[nH]c(=O)c3c2CCCC3)C1 ZINC001229222499 1036559208 /nfs/dbraw/zinc/55/92/08/1036559208.db2.gz CJPAAHSGDAETKS-MRXNPFEDSA-N 1 2 350.422 2.586 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4cnn(C(=O)OC(C)(C)C)c4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229226422 1036563584 /nfs/dbraw/zinc/56/35/84/1036563584.db2.gz SSFNDIXZDJZIMM-UEMTWOCFSA-N 1 2 371.437 2.811 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4cnn(C(=O)OC(C)(C)C)c4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229226422 1036563592 /nfs/dbraw/zinc/56/35/92/1036563592.db2.gz SSFNDIXZDJZIMM-UEMTWOCFSA-N 1 2 371.437 2.811 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@]3(CCCN(c4cccnc4)C3)C2)c(O)c1 ZINC001233384420 1036586199 /nfs/dbraw/zinc/58/61/99/1036586199.db2.gz VGPCRUQBARXFQZ-NRFANRHFSA-N 1 2 364.449 2.530 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCO[C@@]3(CCCN(c4cccnc4)C3)C2)c(O)c1 ZINC001233384420 1036586202 /nfs/dbraw/zinc/58/62/02/1036586202.db2.gz VGPCRUQBARXFQZ-NRFANRHFSA-N 1 2 364.449 2.530 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc4ccccc4n3C(=O)OC(C)(C)C)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229749394 1036868464 /nfs/dbraw/zinc/86/84/64/1036868464.db2.gz ALMGWCAQQWVDHH-QKQQNXCLSA-N 1 2 371.437 2.811 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc4ccccc4n3C(=O)OC(C)(C)C)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229749394 1036868479 /nfs/dbraw/zinc/86/84/79/1036868479.db2.gz ALMGWCAQQWVDHH-QKQQNXCLSA-N 1 2 371.437 2.811 20 30 FFEDLO C[N@@H+]1CCC[C@@H](Oc2cc(F)c(C#N)cc2I)C1 ZINC001234389821 1037014369 /nfs/dbraw/zinc/01/43/69/1037014369.db2.gz XQKBKIVZRMXIQX-SNVBAGLBSA-N 1 2 360.170 2.775 20 30 FFEDLO C[N@H+]1CCC[C@@H](Oc2cc(F)c(C#N)cc2I)C1 ZINC001234389821 1037014381 /nfs/dbraw/zinc/01/43/81/1037014381.db2.gz XQKBKIVZRMXIQX-SNVBAGLBSA-N 1 2 360.170 2.775 20 30 FFEDLO CCn1ncc2c1C[N@H+](Cc1cc(C#N)n(C)c1)C[C@H]2COCC1CC1 ZINC001207104244 1037150538 /nfs/dbraw/zinc/15/05/38/1037150538.db2.gz PERZLYOTICQPNB-KRWDZBQOSA-N 1 2 353.470 2.639 20 30 FFEDLO CCn1ncc2c1C[N@@H+](Cc1cc(C#N)n(C)c1)C[C@H]2COCC1CC1 ZINC001207104244 1037150546 /nfs/dbraw/zinc/15/05/46/1037150546.db2.gz PERZLYOTICQPNB-KRWDZBQOSA-N 1 2 353.470 2.639 20 30 FFEDLO C=CCN(CC[NH+]1CCN(c2ncc(C)s2)CC1)C(=O)OC(C)(C)C ZINC001207205199 1037245332 /nfs/dbraw/zinc/24/53/32/1037245332.db2.gz HFWIFDBJGWYMEI-UHFFFAOYSA-N 1 2 366.531 2.997 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCCN2c1nc(N2CCCC2)c(C)c[nH+]1 ZINC001277927105 1037383529 /nfs/dbraw/zinc/38/35/29/1037383529.db2.gz JYFGGZUGPHGMBW-FQEVSTJZSA-N 1 2 355.486 2.533 20 30 FFEDLO C=CC(=O)OC[C@@H](COC(=O)C(=C)C)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231079568 1037460035 /nfs/dbraw/zinc/46/00/35/1037460035.db2.gz KRTQZMLFQOXAIF-KRWDZBQOSA-N 1 2 370.405 2.683 20 30 FFEDLO C#CCN1CCC2(CC[NH+](Cc3cc(F)cc(Cl)c3O)CC2)C1=O ZINC001277506791 1037536609 /nfs/dbraw/zinc/53/66/09/1037536609.db2.gz LEMYJNUYAIKNQL-UHFFFAOYSA-N 1 2 350.821 2.632 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](OCC)C(C)C)C1 ZINC001207543341 1037536857 /nfs/dbraw/zinc/53/68/57/1037536857.db2.gz LRUDPOOISPBUIK-YUELXQCFSA-N 1 2 361.324 2.783 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](OCC)C(C)C)C1 ZINC001207543341 1037536859 /nfs/dbraw/zinc/53/68/59/1037536859.db2.gz LRUDPOOISPBUIK-YUELXQCFSA-N 1 2 361.324 2.783 20 30 FFEDLO N#Cc1cc(F)c(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(F)c1 ZINC001235650422 1037663298 /nfs/dbraw/zinc/66/32/98/1037663298.db2.gz FMGVFCPWZAQOAN-UHFFFAOYSA-N 1 2 371.387 2.883 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3ccc(F)c(F)c3Cl)C2)OCC1=O ZINC001277959424 1037663802 /nfs/dbraw/zinc/66/38/02/1037663802.db2.gz ZFXBROJGSKHKGZ-KRWDZBQOSA-N 1 2 356.800 2.608 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3ccc(F)c(F)c3Cl)C2)OCC1=O ZINC001277959424 1037663808 /nfs/dbraw/zinc/66/38/08/1037663808.db2.gz ZFXBROJGSKHKGZ-KRWDZBQOSA-N 1 2 356.800 2.608 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@@H+](Cc3ccc(C(C)C)cc3O)C[C@@]2(F)C1=O ZINC001277967700 1037739148 /nfs/dbraw/zinc/73/91/48/1037739148.db2.gz YIWGGOXTLFROKV-RBUKOAKNSA-N 1 2 350.409 2.776 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@H+](Cc3ccc(C(C)C)cc3O)C[C@@]2(F)C1=O ZINC001277967700 1037739165 /nfs/dbraw/zinc/73/91/65/1037739165.db2.gz YIWGGOXTLFROKV-RBUKOAKNSA-N 1 2 350.409 2.776 20 30 FFEDLO COc1cc(C#N)ccc1CN(C)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001231620726 1037742407 /nfs/dbraw/zinc/74/24/07/1037742407.db2.gz MDNUCYYUZWVFGQ-OAQYLSRUSA-N 1 2 365.477 2.900 20 30 FFEDLO COc1cc(C#N)ccc1CN(C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001231620726 1037742411 /nfs/dbraw/zinc/74/24/11/1037742411.db2.gz MDNUCYYUZWVFGQ-OAQYLSRUSA-N 1 2 365.477 2.900 20 30 FFEDLO CN(CCC#N)c1ccc(C[N@@H+]2CCN(Cc3ccccc3)C(=O)C2)cc1 ZINC001231820670 1037929534 /nfs/dbraw/zinc/92/95/34/1037929534.db2.gz RGTRPOJPSDMYGD-UHFFFAOYSA-N 1 2 362.477 2.881 20 30 FFEDLO CN(CCC#N)c1ccc(C[N@H+]2CCN(Cc3ccccc3)C(=O)C2)cc1 ZINC001231820670 1037929549 /nfs/dbraw/zinc/92/95/49/1037929549.db2.gz RGTRPOJPSDMYGD-UHFFFAOYSA-N 1 2 362.477 2.881 20 30 FFEDLO C=CCOC(=O)C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)C(=O)OCC=C ZINC001255510230 1037979930 /nfs/dbraw/zinc/97/99/30/1037979930.db2.gz IBRZTGZCHZLKRW-RUXDESIVSA-N 1 2 363.376 2.914 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(CC)cc2)C[C@H]1C ZINC001208452366 1038326235 /nfs/dbraw/zinc/32/62/35/1038326235.db2.gz IDFWKRQLNXFKEQ-VQIMIIECSA-N 1 2 357.498 2.980 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(CC)cc2)C[C@H]1C ZINC001208452366 1038326247 /nfs/dbraw/zinc/32/62/47/1038326247.db2.gz IDFWKRQLNXFKEQ-VQIMIIECSA-N 1 2 357.498 2.980 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C3(CCC)CC3)C2)c1 ZINC001208538011 1038397301 /nfs/dbraw/zinc/39/73/01/1038397301.db2.gz BBFPQKWDNPFHCO-VQIMIIECSA-N 1 2 367.493 2.623 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C3(CCC)CC3)C2)c1 ZINC001208538011 1038397316 /nfs/dbraw/zinc/39/73/16/1038397316.db2.gz BBFPQKWDNPFHCO-VQIMIIECSA-N 1 2 367.493 2.623 20 30 FFEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCN(C(=O)OCC)CC1 ZINC001256232567 1038442814 /nfs/dbraw/zinc/44/28/14/1038442814.db2.gz WKFWLVPVXWKMBK-SFHVURJKSA-N 1 2 360.454 2.537 20 30 FFEDLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@H+]1CCCc1ccc(C#N)cc1 ZINC001208859188 1038560703 /nfs/dbraw/zinc/56/07/03/1038560703.db2.gz NCKDNEMYUCGMAQ-HXUWFJFHSA-N 1 2 365.481 2.738 20 30 FFEDLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@@H+]1CCCc1ccc(C#N)cc1 ZINC001208859188 1038560711 /nfs/dbraw/zinc/56/07/11/1038560711.db2.gz NCKDNEMYUCGMAQ-HXUWFJFHSA-N 1 2 365.481 2.738 20 30 FFEDLO CC(C)(CC#N)CS(=O)(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001209324589 1038761327 /nfs/dbraw/zinc/76/13/27/1038761327.db2.gz RDZNJOOMRGFKLO-UHFFFAOYSA-N 1 2 363.527 2.852 20 30 FFEDLO CC(C)(CC#N)CS(=O)(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001209324589 1038761334 /nfs/dbraw/zinc/76/13/34/1038761334.db2.gz RDZNJOOMRGFKLO-UHFFFAOYSA-N 1 2 363.527 2.852 20 30 FFEDLO Cc1c(Br)cc(CN2CC[NH2+]C[C@@H]2C#N)cc1Br ZINC001210122405 1039394080 /nfs/dbraw/zinc/39/40/80/1039394080.db2.gz QFPMUMXUIZUJAA-NSHDSACASA-N 1 2 373.092 2.817 20 30 FFEDLO COc1cccc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)c1C#N ZINC001210126922 1039395308 /nfs/dbraw/zinc/39/53/08/1039395308.db2.gz NBVODNMUDLEJLD-UHFFFAOYSA-N 1 2 364.449 2.831 20 30 FFEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC001258509998 1039410488 /nfs/dbraw/zinc/41/04/88/1039410488.db2.gz PIXHSZLFSNOMOC-OAQYLSRUSA-N 1 2 363.461 2.901 20 30 FFEDLO CCCCCCCC[C@H](O)C[N@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001252125186 1039439604 /nfs/dbraw/zinc/43/96/04/1039439604.db2.gz BIJGBRCTCSAEIS-IRXDYDNUSA-N 1 2 352.523 2.955 20 30 FFEDLO CCCCCCCC[C@H](O)C[N@@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001252125186 1039439612 /nfs/dbraw/zinc/43/96/12/1039439612.db2.gz BIJGBRCTCSAEIS-IRXDYDNUSA-N 1 2 352.523 2.955 20 30 FFEDLO C#Cc1ccc(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)nc1 ZINC001537550997 1070207099 /nfs/dbraw/zinc/20/70/99/1070207099.db2.gz LFARTWWGICDNEX-UHFFFAOYSA-N 1 2 356.429 2.895 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(F)(F)F)C1 ZINC001210454643 1039560109 /nfs/dbraw/zinc/56/01/09/1039560109.db2.gz GIIJIMRKFQIOLI-PSASIEDQSA-N 1 2 357.214 2.920 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(F)(F)F)C1 ZINC001210454643 1039560124 /nfs/dbraw/zinc/56/01/24/1039560124.db2.gz GIIJIMRKFQIOLI-PSASIEDQSA-N 1 2 357.214 2.920 20 30 FFEDLO C=CCCCNC(=S)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001247726666 1039918044 /nfs/dbraw/zinc/91/80/44/1039918044.db2.gz JXGUJAGHLLVKAW-MRXNPFEDSA-N 1 2 371.510 2.630 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cnnn3CC)C[C@H]2C)CCCCC1 ZINC001211235476 1040021964 /nfs/dbraw/zinc/02/19/64/1040021964.db2.gz QWBJDOZOGDXNGN-SJLPKXTDSA-N 1 2 359.518 2.761 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cnnn3CC)C[C@H]2C)CCCCC1 ZINC001211235476 1040021979 /nfs/dbraw/zinc/02/19/79/1040021979.db2.gz QWBJDOZOGDXNGN-SJLPKXTDSA-N 1 2 359.518 2.761 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)n(C)n2)C[C@H]1C)c1ccccc1 ZINC001211235238 1040022798 /nfs/dbraw/zinc/02/27/98/1040022798.db2.gz JUXOXXDTYOFBTA-CDHQVMDDSA-N 1 2 352.482 2.635 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(C)n(C)n2)C[C@H]1C)c1ccccc1 ZINC001211235238 1040022810 /nfs/dbraw/zinc/02/28/10/1040022810.db2.gz JUXOXXDTYOFBTA-CDHQVMDDSA-N 1 2 352.482 2.635 20 30 FFEDLO C=CCn1cc(C[NH+]2CC3(C2)CCN(C(=O)[C@H]2C=CCC=C2C)C3)cn1 ZINC001278709453 1040087698 /nfs/dbraw/zinc/08/76/98/1040087698.db2.gz AWPXBHAOBQPGEQ-IBGZPJMESA-N 1 2 352.482 2.626 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC001211427735 1040184915 /nfs/dbraw/zinc/18/49/15/1040184915.db2.gz NKZHDTZJWFFXBR-RBSFLKMASA-N 1 2 365.543 2.968 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC001211427735 1040184922 /nfs/dbraw/zinc/18/49/22/1040184922.db2.gz NKZHDTZJWFFXBR-RBSFLKMASA-N 1 2 365.543 2.968 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)on2)C[C@H]1C ZINC001211428271 1040187908 /nfs/dbraw/zinc/18/79/08/1040187908.db2.gz YQKNDWICYTYPGZ-JTDSTZFVSA-N 1 2 369.465 2.869 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)on2)C[C@H]1C ZINC001211428271 1040187915 /nfs/dbraw/zinc/18/79/15/1040187915.db2.gz YQKNDWICYTYPGZ-JTDSTZFVSA-N 1 2 369.465 2.869 20 30 FFEDLO C=CCS(=O)(=O)NC1(C)C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001259932375 1040304605 /nfs/dbraw/zinc/30/46/05/1040304605.db2.gz DGQAIMMQLBLIAS-UHFFFAOYSA-N 1 2 356.491 2.956 20 30 FFEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO ZINC001248750060 1040393502 /nfs/dbraw/zinc/39/35/02/1040393502.db2.gz VXSTXPCWOZMFOM-GOSISDBHSA-N 1 2 359.470 2.534 20 30 FFEDLO CCc1cc(C#N)ccc1C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO ZINC001248750060 1040393512 /nfs/dbraw/zinc/39/35/12/1040393512.db2.gz VXSTXPCWOZMFOM-GOSISDBHSA-N 1 2 359.470 2.534 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OC)C[C@H]1OC ZINC001213273494 1040400112 /nfs/dbraw/zinc/40/01/12/1040400112.db2.gz REPHNYYBLCPBQV-NVXWUHKLSA-N 1 2 366.889 2.876 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OC)C[C@H]1OC ZINC001213273494 1040400124 /nfs/dbraw/zinc/40/01/24/1040400124.db2.gz REPHNYYBLCPBQV-NVXWUHKLSA-N 1 2 366.889 2.876 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccnc(SC(C)C)n2)C1 ZINC001248834399 1040460315 /nfs/dbraw/zinc/46/03/15/1040460315.db2.gz UMRLVDBGFSPODP-AWEZNQCLSA-N 1 2 350.488 2.854 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccnc(SC(C)C)n2)C1 ZINC001248834399 1040460321 /nfs/dbraw/zinc/46/03/21/1040460321.db2.gz UMRLVDBGFSPODP-AWEZNQCLSA-N 1 2 350.488 2.854 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(F)c2)C[C@H]1OC ZINC001213389746 1040500264 /nfs/dbraw/zinc/50/02/64/1040500264.db2.gz GCBBQJQFXSOGMD-YVWKXTFCSA-N 1 2 364.461 2.752 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)C[C@H]1OC ZINC001213389746 1040500284 /nfs/dbraw/zinc/50/02/84/1040500284.db2.gz GCBBQJQFXSOGMD-YVWKXTFCSA-N 1 2 364.461 2.752 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)CC(C)(F)F ZINC001213393077 1040509386 /nfs/dbraw/zinc/50/93/86/1040509386.db2.gz UUOYRDXJMNPYID-HZPDHXFCSA-N 1 2 370.827 2.552 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)CC(C)(F)F ZINC001213393077 1040509397 /nfs/dbraw/zinc/50/93/97/1040509397.db2.gz UUOYRDXJMNPYID-HZPDHXFCSA-N 1 2 370.827 2.552 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2cnn3ccc(C#N)cc23)Cc2c1cnn2CC ZINC001249086720 1040576332 /nfs/dbraw/zinc/57/63/32/1040576332.db2.gz OEZQDNCEBYDYDO-QGZVFWFLSA-N 1 2 364.453 2.558 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2cnn3ccc(C#N)cc23)Cc2c1cnn2CC ZINC001249086720 1040576343 /nfs/dbraw/zinc/57/63/43/1040576343.db2.gz OEZQDNCEBYDYDO-QGZVFWFLSA-N 1 2 364.453 2.558 20 30 FFEDLO N#Cc1ccn2ncc(C[NH+]3CCN(c4nccc5occc54)CC3)c2c1 ZINC001249106271 1040582183 /nfs/dbraw/zinc/58/21/83/1040582183.db2.gz FGDYNGCRFRJVNG-UHFFFAOYSA-N 1 2 358.405 2.669 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2OC)C[C@H]1OC ZINC001213494272 1040608463 /nfs/dbraw/zinc/60/84/63/1040608463.db2.gz WEVOWBYTEGYRRT-SJLPKXTDSA-N 1 2 364.461 2.752 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2OC)C[C@H]1OC ZINC001213494272 1040608469 /nfs/dbraw/zinc/60/84/69/1040608469.db2.gz WEVOWBYTEGYRRT-SJLPKXTDSA-N 1 2 364.461 2.752 20 30 FFEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC ZINC001254294519 1040664427 /nfs/dbraw/zinc/66/44/27/1040664427.db2.gz APIMNGQOJOVXQH-ZRGWGRIASA-N 1 2 352.475 2.873 20 30 FFEDLO O=C1C=C2C[N@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC[C@@H]2S1 ZINC001254473788 1040738949 /nfs/dbraw/zinc/73/89/49/1040738949.db2.gz BGMYLBNJRNVGKS-KRWDZBQOSA-N 1 2 359.451 2.838 20 30 FFEDLO O=C1C=C2C[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC[C@@H]2S1 ZINC001254473788 1040738959 /nfs/dbraw/zinc/73/89/59/1040738959.db2.gz BGMYLBNJRNVGKS-KRWDZBQOSA-N 1 2 359.451 2.838 20 30 FFEDLO CCC[C@@H](CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213636156 1040746622 /nfs/dbraw/zinc/74/66/22/1040746622.db2.gz IFWXFEASCGRPGI-ATZDWAIDSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC[C@@H](CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213636156 1040746639 /nfs/dbraw/zinc/74/66/39/1040746639.db2.gz IFWXFEASCGRPGI-ATZDWAIDSA-N 1 2 361.461 2.839 20 30 FFEDLO C=CCO[C@H]1CCN(c2nc(N3CC[C@H](OCC=C)C3)c(C3CC3)c[nH+]2)C1 ZINC001254547861 1040791103 /nfs/dbraw/zinc/79/11/03/1040791103.db2.gz ZCVYZRWEIHVCGV-ROUUACIJSA-N 1 2 370.497 2.917 20 30 FFEDLO C[N@@H+](Cc1cccc(C#N)c1F)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001249671996 1040929459 /nfs/dbraw/zinc/92/94/59/1040929459.db2.gz JMXFULFOEXVPPJ-MRXNPFEDSA-N 1 2 363.433 2.765 20 30 FFEDLO C[N@H+](Cc1cccc(C#N)c1F)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001249671996 1040929473 /nfs/dbraw/zinc/92/94/73/1040929473.db2.gz JMXFULFOEXVPPJ-MRXNPFEDSA-N 1 2 363.433 2.765 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ocnc3C)C[C@H]2OC)CCCCC1 ZINC001213903002 1041053796 /nfs/dbraw/zinc/05/37/96/1041053796.db2.gz AOLSDEZSKKVHHN-SJLPKXTDSA-N 1 2 361.486 2.825 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ocnc3C)C[C@H]2OC)CCCCC1 ZINC001213903002 1041053812 /nfs/dbraw/zinc/05/38/12/1041053812.db2.gz AOLSDEZSKKVHHN-SJLPKXTDSA-N 1 2 361.486 2.825 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]2OC)CCCCC1 ZINC001213903285 1041055165 /nfs/dbraw/zinc/05/51/65/1041055165.db2.gz OPWLHFXWAVOJCI-RTBURBONSA-N 1 2 357.498 2.924 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]2OC)CCCCC1 ZINC001213903285 1041055182 /nfs/dbraw/zinc/05/51/82/1041055182.db2.gz OPWLHFXWAVOJCI-RTBURBONSA-N 1 2 357.498 2.924 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC(C1CC1)C1CC1 ZINC001213938273 1041091060 /nfs/dbraw/zinc/09/10/60/1041091060.db2.gz NSOXTKAYVQVQCI-NHCUHLMSSA-N 1 2 367.493 2.700 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC(C1CC1)C1CC1 ZINC001213938273 1041091075 /nfs/dbraw/zinc/09/10/75/1041091075.db2.gz NSOXTKAYVQVQCI-NHCUHLMSSA-N 1 2 367.493 2.700 20 30 FFEDLO Cn1cc(CN2CCC23C[NH+](Cc2cc(Cl)ccc2O)C3)cc1C#N ZINC001278569267 1041209557 /nfs/dbraw/zinc/20/95/57/1041209557.db2.gz TWXVOPQUYTXJIV-UHFFFAOYSA-N 1 2 356.857 2.716 20 30 FFEDLO Cc1ccccc1[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C)CC[NH2+]1 ZINC001214108397 1041242905 /nfs/dbraw/zinc/24/29/05/1041242905.db2.gz HLDYGSACBXRIME-GOSISDBHSA-N 1 2 355.463 2.510 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(Cc3ccccc3)no2)C1 ZINC001214745665 1041560201 /nfs/dbraw/zinc/56/02/01/1041560201.db2.gz NOKIYGMSVSTTIK-SJLPKXTDSA-N 1 2 368.481 2.953 20 30 FFEDLO Cc1ccc2c(c1)CCN(c1nnc(C3CC[NH+](CCC#N)CC3)n1C)C2 ZINC001262873977 1041919988 /nfs/dbraw/zinc/91/99/88/1041919988.db2.gz ZUSVIVOLSSLVES-UHFFFAOYSA-N 1 2 364.497 2.779 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC[C@H](c2ccccc2C)C1 ZINC001262947428 1041981681 /nfs/dbraw/zinc/98/16/81/1041981681.db2.gz LSJTWTCLWHOHRL-LNLFQRSKSA-N 1 2 367.497 2.504 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC[C@H](c2ccccc2C)C1 ZINC001262947428 1041981688 /nfs/dbraw/zinc/98/16/88/1041981688.db2.gz LSJTWTCLWHOHRL-LNLFQRSKSA-N 1 2 367.497 2.504 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC(CCC(C)C)CC1 ZINC001262947210 1041982229 /nfs/dbraw/zinc/98/22/29/1041982229.db2.gz HMGQPDYZWHYUSQ-ROUUACIJSA-N 1 2 361.534 2.854 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC(CCC(C)C)CC1 ZINC001262947210 1041982234 /nfs/dbraw/zinc/98/22/34/1041982234.db2.gz HMGQPDYZWHYUSQ-ROUUACIJSA-N 1 2 361.534 2.854 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCc2c(O)cccc2C1 ZINC001262948418 1041983162 /nfs/dbraw/zinc/98/31/62/1041983162.db2.gz LBXOOKMWQOPXQD-KRWDZBQOSA-N 1 2 353.470 2.889 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCc2c(O)cccc2C1 ZINC001262948418 1041983165 /nfs/dbraw/zinc/98/31/65/1041983165.db2.gz LBXOOKMWQOPXQD-KRWDZBQOSA-N 1 2 353.470 2.889 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC2(CCCC2)OC[C@@H]1C ZINC001262952195 1041985397 /nfs/dbraw/zinc/98/53/97/1041985397.db2.gz LYHFLWLCKNJMDE-KRWDZBQOSA-N 1 2 359.518 2.988 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](Cc3ccccc3)CCO2)nnc1N(CC)CC ZINC001262953978 1041985966 /nfs/dbraw/zinc/98/59/66/1041985966.db2.gz ITDAZGNKGONCDN-GOSISDBHSA-N 1 2 355.486 2.884 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](Cc3ccccc3)CCO2)nnc1N(CC)CC ZINC001262953978 1041985977 /nfs/dbraw/zinc/98/59/77/1041985977.db2.gz ITDAZGNKGONCDN-GOSISDBHSA-N 1 2 355.486 2.884 20 30 FFEDLO CCn1c(Cc2[nH+]ccn2C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 ZINC001263013489 1042032526 /nfs/dbraw/zinc/03/25/26/1042032526.db2.gz WZSOXHIKZMUFOS-UHFFFAOYSA-N 1 2 361.453 2.663 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001263025081 1042042790 /nfs/dbraw/zinc/04/27/90/1042042790.db2.gz SOPCYIMEEFAUDJ-HXUWFJFHSA-N 1 2 374.533 2.786 20 30 FFEDLO C#CCC1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(CC)no3)C2)CCCCC1 ZINC001216894032 1042158108 /nfs/dbraw/zinc/15/81/08/1042158108.db2.gz JOKIWHNYBNJBKK-HZPDHXFCSA-N 1 2 358.486 2.542 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1ccccn1 ZINC001263343694 1042251416 /nfs/dbraw/zinc/25/14/16/1042251416.db2.gz HACSQTKOXUEPJC-SFHVURJKSA-N 1 2 370.501 2.667 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1ccccn1 ZINC001263343694 1042251420 /nfs/dbraw/zinc/25/14/20/1042251420.db2.gz HACSQTKOXUEPJC-SFHVURJKSA-N 1 2 370.501 2.667 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CC[N@H+](Cc2nnc(C)n2C2CC2)[C@@H]1CC ZINC001264048739 1042597169 /nfs/dbraw/zinc/59/71/69/1042597169.db2.gz AVTAGJFOEJMYFB-ZWKOTPCHSA-N 1 2 357.502 2.584 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CC[N@@H+](Cc2nnc(C)n2C2CC2)[C@@H]1CC ZINC001264048739 1042597172 /nfs/dbraw/zinc/59/71/72/1042597172.db2.gz AVTAGJFOEJMYFB-ZWKOTPCHSA-N 1 2 357.502 2.584 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CC[N@H+](Cc2nnc3n2CCCCC3)[C@@H]1CC ZINC001264604882 1042739491 /nfs/dbraw/zinc/73/94/91/1042739491.db2.gz LIWUSSMXBOOXFL-ZWKOTPCHSA-N 1 2 371.529 2.667 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CC[N@@H+](Cc2nnc3n2CCCCC3)[C@@H]1CC ZINC001264604882 1042739493 /nfs/dbraw/zinc/73/94/93/1042739493.db2.gz LIWUSSMXBOOXFL-ZWKOTPCHSA-N 1 2 371.529 2.667 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(CC)cc2)[C@@H]1C ZINC001264714220 1042796099 /nfs/dbraw/zinc/79/60/99/1042796099.db2.gz QGDOWBMWOHHVMJ-QAPCUYQASA-N 1 2 357.498 2.979 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(CC)cc2)[C@@H]1C ZINC001264714220 1042796103 /nfs/dbraw/zinc/79/61/03/1042796103.db2.gz QGDOWBMWOHHVMJ-QAPCUYQASA-N 1 2 357.498 2.979 20 30 FFEDLO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1C[C@H]1c1sccc1C)C2 ZINC001264748512 1042819400 /nfs/dbraw/zinc/81/94/00/1042819400.db2.gz SKHCQHCTABKTPR-ZIAGYGMSSA-N 1 2 371.531 2.924 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cccc(C#N)c4Cl)C3)C2)cc1C#N ZINC001279320269 1042999033 /nfs/dbraw/zinc/99/90/33/1042999033.db2.gz LGAXFMFZZZKSJQ-UHFFFAOYSA-N 1 2 365.868 2.740 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)ccn1 ZINC001237466034 1043181826 /nfs/dbraw/zinc/18/18/26/1043181826.db2.gz QKCFRONVZGIWIW-KVSKMBFKSA-N 1 2 370.478 2.606 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)ccn1 ZINC001237466034 1043181833 /nfs/dbraw/zinc/18/18/33/1043181833.db2.gz QKCFRONVZGIWIW-KVSKMBFKSA-N 1 2 370.478 2.606 20 30 FFEDLO COc1cc(C)nc(O[C@@H]2CC[N@H+](Cc3cc(C#N)c(F)cc3F)C2)n1 ZINC001237535627 1043225276 /nfs/dbraw/zinc/22/52/76/1043225276.db2.gz BEKLNLCGGNIBPY-CQSZACIVSA-N 1 2 360.364 2.597 20 30 FFEDLO COc1cc(C)nc(O[C@@H]2CC[N@@H+](Cc3cc(C#N)c(F)cc3F)C2)n1 ZINC001237535627 1043225285 /nfs/dbraw/zinc/22/52/85/1043225285.db2.gz BEKLNLCGGNIBPY-CQSZACIVSA-N 1 2 360.364 2.597 20 30 FFEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1cncn1CC)CC2 ZINC001237592238 1043260410 /nfs/dbraw/zinc/26/04/10/1043260410.db2.gz HBWXKQLMYIRWDT-UHFFFAOYSA-N 1 2 355.486 2.770 20 30 FFEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1cncn1CC)CC2 ZINC001237592238 1043260420 /nfs/dbraw/zinc/26/04/20/1043260420.db2.gz HBWXKQLMYIRWDT-UHFFFAOYSA-N 1 2 355.486 2.770 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[N@@H+]2Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237603689 1043263879 /nfs/dbraw/zinc/26/38/79/1043263879.db2.gz FHIMQFBLQUUHCP-NVXWUHKLSA-N 1 2 367.453 2.647 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[N@H+]2Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237603689 1043263886 /nfs/dbraw/zinc/26/38/86/1043263886.db2.gz FHIMQFBLQUUHCP-NVXWUHKLSA-N 1 2 367.453 2.647 20 30 FFEDLO COc1cc(OC2CC[NH+](Cc3cn4cc(C#N)ccc4n3)CC2)ccn1 ZINC001237607392 1043266254 /nfs/dbraw/zinc/26/62/54/1043266254.db2.gz AUDUIQKBVLFENQ-UHFFFAOYSA-N 1 2 363.421 2.653 20 30 FFEDLO Cn1cc(CN2C[C@@H]3COC[C@H](C2)[N@@H+]3CCC2CCCCC2)cc1C#N ZINC001279588104 1043301593 /nfs/dbraw/zinc/30/15/93/1043301593.db2.gz ZHTUDYURRFSPMT-OYRHEFFESA-N 1 2 356.514 2.752 20 30 FFEDLO Cn1cc(CN2C[C@@H]3COC[C@H](C2)[N@H+]3CCC2CCCCC2)cc1C#N ZINC001279588104 1043301596 /nfs/dbraw/zinc/30/15/96/1043301596.db2.gz ZHTUDYURRFSPMT-OYRHEFFESA-N 1 2 356.514 2.752 20 30 FFEDLO C#CCN(C(=O)C[C@@H]1C[C@H]1C1CC1)C1CC[NH+](Cc2cc(C)on2)CC1 ZINC001278168858 1043460933 /nfs/dbraw/zinc/46/09/33/1043460933.db2.gz ICBXCCKFKCAWHB-PXNSSMCTSA-N 1 2 355.482 2.845 20 30 FFEDLO Cc1cc(C)cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2cc(C#N)n(C)c2)c1 ZINC001279729019 1043543114 /nfs/dbraw/zinc/54/31/14/1043543114.db2.gz GUCZKGQXDVKBHR-RTWAWAEBSA-N 1 2 350.466 2.603 20 30 FFEDLO Cc1cc(C)cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2cc(C#N)n(C)c2)c1 ZINC001279729019 1043543118 /nfs/dbraw/zinc/54/31/18/1043543118.db2.gz GUCZKGQXDVKBHR-RTWAWAEBSA-N 1 2 350.466 2.603 20 30 FFEDLO C#CC1CC[NH+](Cc2c(F)ncc(C)c2I)CC1 ZINC001238278144 1043634949 /nfs/dbraw/zinc/63/49/49/1043634949.db2.gz KHJVDGRDGCRKOM-UHFFFAOYSA-N 1 2 358.198 2.979 20 30 FFEDLO C=CCCCCC[N@H+]1Cc2ccnn2CC[C@@H]1C(=O)Nc1nccn1C ZINC001279830002 1043733606 /nfs/dbraw/zinc/73/36/06/1043733606.db2.gz QUJQPBLCCXFYIV-QGZVFWFLSA-N 1 2 356.474 2.576 20 30 FFEDLO C=CCCCCC[N@@H+]1Cc2ccnn2CC[C@@H]1C(=O)Nc1nccn1C ZINC001279830002 1043733617 /nfs/dbraw/zinc/73/36/17/1043733617.db2.gz QUJQPBLCCXFYIV-QGZVFWFLSA-N 1 2 356.474 2.576 20 30 FFEDLO C=CCCCCCCCC[N@H+]1CC[C@H]2C[C@]21C(=O)NCCS(C)(=O)=O ZINC001279836474 1043747090 /nfs/dbraw/zinc/74/70/90/1043747090.db2.gz CPEQYOQLAXZXDA-PKOBYXMFSA-N 1 2 370.559 2.528 20 30 FFEDLO C=CCCCCCCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)NCCS(C)(=O)=O ZINC001279836474 1043747099 /nfs/dbraw/zinc/74/70/99/1043747099.db2.gz CPEQYOQLAXZXDA-PKOBYXMFSA-N 1 2 370.559 2.528 20 30 FFEDLO CCc1cc(C[N@H+]2Cc3nccn3C[C@H](Cn3cccn3)C2)ccc1C#N ZINC001238762545 1043877728 /nfs/dbraw/zinc/87/77/28/1043877728.db2.gz MCFBVSAMUMWDKI-GOSISDBHSA-N 1 2 360.465 2.846 20 30 FFEDLO CCc1cc(C[N@@H+]2Cc3nccn3C[C@H](Cn3cccn3)C2)ccc1C#N ZINC001238762545 1043877746 /nfs/dbraw/zinc/87/77/46/1043877746.db2.gz MCFBVSAMUMWDKI-GOSISDBHSA-N 1 2 360.465 2.846 20 30 FFEDLO CCCCCCCCNC(=O)N1CCCC2(C[NH+](CC(=O)N(C)C)C2)C1 ZINC001279910691 1043909278 /nfs/dbraw/zinc/90/92/78/1043909278.db2.gz ORZMDEIFYBSIDO-UHFFFAOYSA-N 1 2 366.550 2.543 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)C13CC([NH2+]Cc4ccn[nH]4)(C1)C3)CCCC2 ZINC001279913210 1043914002 /nfs/dbraw/zinc/91/40/02/1043914002.db2.gz FYIRIOMSWJSPMB-UHFFFAOYSA-N 1 2 367.478 2.873 20 30 FFEDLO CCCCCCCCCNC(=S)N1C[C@H]2C[C@H](C(=O)OCC)[NH2+][C@H]2C1 ZINC001239432274 1044121046 /nfs/dbraw/zinc/12/10/46/1044121046.db2.gz WPTAFRDPIONSSJ-ZACQAIPSSA-N 1 2 369.575 2.837 20 30 FFEDLO C[C@H](C[N@@H+]1CCc2cc(C(=O)N3CC(CC#N)C3)[nH]c2C1)C(F)(F)F ZINC001280065629 1044158688 /nfs/dbraw/zinc/15/86/88/1044158688.db2.gz BUTLFIXFDNVNCP-LLVKDONJSA-N 1 2 354.376 2.557 20 30 FFEDLO C[C@H](C[N@H+]1CCc2cc(C(=O)N3CC(CC#N)C3)[nH]c2C1)C(F)(F)F ZINC001280065629 1044158696 /nfs/dbraw/zinc/15/86/96/1044158696.db2.gz BUTLFIXFDNVNCP-LLVKDONJSA-N 1 2 354.376 2.557 20 30 FFEDLO C=CCOc1cc(C)nc(-c2ccc(OCC[NH+]3CCOCC3)cc2)n1 ZINC001240448746 1044345510 /nfs/dbraw/zinc/34/55/10/1044345510.db2.gz QNQJLMXIFHAAKB-UHFFFAOYSA-N 1 2 355.438 2.728 20 30 FFEDLO COCCOCN1CC2(C1)CCC[N@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001278315597 1044384741 /nfs/dbraw/zinc/38/47/41/1044384741.db2.gz WQCUAKJHBWPMOM-UHFFFAOYSA-N 1 2 363.889 2.730 20 30 FFEDLO COCCOCN1CC2(C1)CCC[N@@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001278315597 1044384750 /nfs/dbraw/zinc/38/47/50/1044384750.db2.gz WQCUAKJHBWPMOM-UHFFFAOYSA-N 1 2 363.889 2.730 20 30 FFEDLO C=C(C)[C@@H]1CC=C(C[NH+]2CC3(C2)CC[C@@H](C(=O)Nc2cn[nH]c2)O3)CC1 ZINC001280234347 1044438557 /nfs/dbraw/zinc/43/85/57/1044438557.db2.gz GZXYXSKUPRTMPG-AEFFLSMTSA-N 1 2 356.470 2.884 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H]2C[N@H+](Cc3nn(C)cc3Cl)CC[C@@H]2C1 ZINC001316751262 1044899369 /nfs/dbraw/zinc/89/93/69/1044899369.db2.gz MGRWXUCMTKMNIS-CVEARBPZSA-N 1 2 362.905 2.547 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nn(C)cc3Cl)CC[C@@H]2C1 ZINC001316751262 1044899384 /nfs/dbraw/zinc/89/93/84/1044899384.db2.gz MGRWXUCMTKMNIS-CVEARBPZSA-N 1 2 362.905 2.547 20 30 FFEDLO C[NH+]1CCN(c2ccc(/C=C/C(=O)c3ccc(O)cc3O)cc2F)CC1 ZINC001319075365 1045014377 /nfs/dbraw/zinc/01/43/77/1045014377.db2.gz QPUMGVFOWCWMBL-XVNBXDOJSA-N 1 2 356.397 2.885 20 30 FFEDLO N#Cc1c[nH]c2nc(-c3ccc(OCC[NH+]4CCOCC4)cc3F)ccc12 ZINC001244134500 1045085940 /nfs/dbraw/zinc/08/59/40/1045085940.db2.gz BESXWRKTVPFQOW-UHFFFAOYSA-N 1 2 366.396 2.952 20 30 FFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(CC#N)cc2)[C@@H]1c1ccc(F)cc1 ZINC001319571479 1045198803 /nfs/dbraw/zinc/19/88/03/1045198803.db2.gz HKQJSCSDRQEHFH-MOPGFXCFSA-N 1 2 373.453 2.615 20 30 FFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(CC#N)cc2)[C@@H]1c1ccc(F)cc1 ZINC001319571479 1045198808 /nfs/dbraw/zinc/19/88/08/1045198808.db2.gz HKQJSCSDRQEHFH-MOPGFXCFSA-N 1 2 373.453 2.615 20 30 FFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(CC#N)cc2)[C@H]1c1ccc(F)cc1 ZINC001319571486 1045198986 /nfs/dbraw/zinc/19/89/86/1045198986.db2.gz HKQJSCSDRQEHFH-RTBURBONSA-N 1 2 373.453 2.615 20 30 FFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(CC#N)cc2)[C@H]1c1ccc(F)cc1 ZINC001319571486 1045198993 /nfs/dbraw/zinc/19/89/93/1045198993.db2.gz HKQJSCSDRQEHFH-RTBURBONSA-N 1 2 373.453 2.615 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C/C=C\CC)CC1 ZINC001539441710 1070638132 /nfs/dbraw/zinc/63/81/32/1070638132.db2.gz UOYUYVAARZTVIZ-WAYWQWQTSA-N 1 2 360.465 2.538 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1CC[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001282129952 1045365332 /nfs/dbraw/zinc/36/53/32/1045365332.db2.gz FQZNIJRVKFNTLW-DLBZAZTESA-N 1 2 360.502 2.684 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](CN2C[C@@H](COc3cc(C)cc(C)c3)OC2=O)C1 ZINC001320309540 1045388081 /nfs/dbraw/zinc/38/80/81/1045388081.db2.gz ZRRXNIRIVASAFI-HKUYNNGSSA-N 1 2 360.454 2.737 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](CN2C[C@@H](COc3cc(C)cc(C)c3)OC2=O)C1 ZINC001320309540 1045388083 /nfs/dbraw/zinc/38/80/83/1045388083.db2.gz ZRRXNIRIVASAFI-HKUYNNGSSA-N 1 2 360.454 2.737 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001282316591 1045494852 /nfs/dbraw/zinc/49/48/52/1045494852.db2.gz CELDIZDUIJGBKT-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001282316591 1045494856 /nfs/dbraw/zinc/49/48/56/1045494856.db2.gz CELDIZDUIJGBKT-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)ccc1C#N ZINC001320931504 1045496238 /nfs/dbraw/zinc/49/62/38/1045496238.db2.gz UIIZEZUADGBAHY-RTBURBONSA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)ccc1C#N ZINC001320931504 1045496241 /nfs/dbraw/zinc/49/62/41/1045496241.db2.gz UIIZEZUADGBAHY-RTBURBONSA-N 1 2 373.453 2.730 20 30 FFEDLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]Cc1cccc(OCC#N)c1 ZINC001321040605 1045520547 /nfs/dbraw/zinc/52/05/47/1045520547.db2.gz VYLUROKXJROWKG-UHFFFAOYSA-N 1 2 364.854 2.936 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC001323968493 1045794850 /nfs/dbraw/zinc/79/48/50/1045794850.db2.gz XARAXNCMCPJSSW-CQSZACIVSA-N 1 2 363.259 2.807 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC001323968493 1045794856 /nfs/dbraw/zinc/79/48/56/1045794856.db2.gz XARAXNCMCPJSSW-CQSZACIVSA-N 1 2 363.259 2.807 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001282674436 1046057732 /nfs/dbraw/zinc/05/77/32/1046057732.db2.gz SFPQILZEOGDJSD-BDXSIMOUSA-N 1 2 372.513 2.777 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001282729055 1046134525 /nfs/dbraw/zinc/13/45/25/1046134525.db2.gz NOATUUNDDSNFPH-ZACQAIPSSA-N 1 2 372.513 2.777 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nc(C3CC3)no2)C[C@H]1c1ccccc1 ZINC001316642193 1046980751 /nfs/dbraw/zinc/98/07/51/1046980751.db2.gz KVTPUVPVMZUQRP-ZWKOTPCHSA-N 1 2 366.465 2.997 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(C3CC3)no2)C[C@H]1c1ccccc1 ZINC001316642193 1046980753 /nfs/dbraw/zinc/98/07/53/1046980753.db2.gz KVTPUVPVMZUQRP-ZWKOTPCHSA-N 1 2 366.465 2.997 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CCCC=C)CC1 ZINC001286476327 1047120705 /nfs/dbraw/zinc/12/07/05/1047120705.db2.gz UAODYOUYCXYSJX-UHFFFAOYSA-N 1 2 365.481 2.675 20 30 FFEDLO C=CCCCC(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC001288233403 1047428169 /nfs/dbraw/zinc/42/81/69/1047428169.db2.gz WKDSTLGVAKIGIY-INMHGKMJSA-N 1 2 360.502 2.527 20 30 FFEDLO Cc1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001290711672 1048333504 /nfs/dbraw/zinc/33/35/04/1048333504.db2.gz ADVUCTMIEBLFDG-CYBMUJFWSA-N 1 2 353.405 2.556 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C)CCC1 ZINC001290719632 1048343444 /nfs/dbraw/zinc/34/34/44/1048343444.db2.gz DHBAHRBENMXCRB-ZACQAIPSSA-N 1 2 358.486 2.686 20 30 FFEDLO C=C(C)CCC(=O)NC[C@]12CCC[C@H]1N(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001291724909 1048870717 /nfs/dbraw/zinc/87/07/17/1048870717.db2.gz JCYPYRFYLNSCOK-BZSOYRFXSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C(C)CCC(=O)NC[C@]12CCC[C@H]1N(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001291724909 1048870735 /nfs/dbraw/zinc/87/07/35/1048870735.db2.gz JCYPYRFYLNSCOK-BZSOYRFXSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCn1c(-c2cc(C)[nH]n2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001339885811 1050303285 /nfs/dbraw/zinc/30/32/85/1050303285.db2.gz XLDGOOHTNXXNHJ-UHFFFAOYSA-N 1 2 364.457 2.639 20 30 FFEDLO C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001300805947 1050750084 /nfs/dbraw/zinc/75/00/84/1050750084.db2.gz LUPPPDNHXIADLM-DYESRHJHSA-N 1 2 373.545 2.580 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@H](CC(F)(F)F)C1 ZINC001340389235 1050782028 /nfs/dbraw/zinc/78/20/28/1050782028.db2.gz FIKHUMWNMYZVKM-KBPBESRZSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@H](CC(F)(F)F)C1 ZINC001340389235 1050782039 /nfs/dbraw/zinc/78/20/39/1050782039.db2.gz FIKHUMWNMYZVKM-KBPBESRZSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC001342247120 1050839503 /nfs/dbraw/zinc/83/95/03/1050839503.db2.gz HVCHANMECWUUJA-SQNIBIBYSA-N 1 2 372.517 2.764 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC001342247120 1050839512 /nfs/dbraw/zinc/83/95/12/1050839512.db2.gz HVCHANMECWUUJA-SQNIBIBYSA-N 1 2 372.517 2.764 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](C)[C@@H](F)C1 ZINC001342307199 1050902745 /nfs/dbraw/zinc/90/27/45/1050902745.db2.gz ZJSBYTWOSWTOPB-RDJZCZTQSA-N 1 2 360.481 2.741 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@@H]2COC[C@@H]21 ZINC001340515603 1050908644 /nfs/dbraw/zinc/90/86/44/1050908644.db2.gz DCIHMFBBTDBWSI-KURKYZTESA-N 1 2 370.501 2.911 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@@H](COC)C1 ZINC001342323435 1050918089 /nfs/dbraw/zinc/91/80/89/1050918089.db2.gz GCKQDNQWBXLMCV-IAGOWNOFSA-N 1 2 358.490 2.769 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 ZINC001340733161 1051091362 /nfs/dbraw/zinc/09/13/62/1051091362.db2.gz OCPWJWTVAZNSJS-HZPDHXFCSA-N 1 2 370.501 2.572 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCN(c2ccccc2)CC1 ZINC001342533801 1051138320 /nfs/dbraw/zinc/13/83/20/1051138320.db2.gz ZUMCGBVKGQWFPB-UHFFFAOYSA-N 1 2 366.513 2.777 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CC1=CCSC1 ZINC001340909909 1051238770 /nfs/dbraw/zinc/23/87/70/1051238770.db2.gz KMQRDYZFKTZAGC-UHFFFAOYSA-N 1 2 360.531 2.500 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N(CC)CCC1CC1 ZINC001342797722 1051407763 /nfs/dbraw/zinc/40/77/63/1051407763.db2.gz FURVTTNPKHBBGQ-UHFFFAOYSA-N 1 2 361.534 2.685 20 30 FFEDLO C=C(C)Cn1c([C@H](O)CC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001342993723 1051610099 /nfs/dbraw/zinc/61/00/99/1051610099.db2.gz RXLIDSSCCLRKNL-MRXNPFEDSA-N 1 2 356.474 2.774 20 30 FFEDLO CC[C@H]1COCC[N@@H+]1CCNc1ccc(C#N)c(Br)c1F ZINC001307200004 1052266610 /nfs/dbraw/zinc/26/66/10/1052266610.db2.gz FHEXWEIDTSHLHT-LBPRGKRZSA-N 1 2 356.239 2.983 20 30 FFEDLO CC[C@H]1COCC[N@H+]1CCNc1ccc(C#N)c(Br)c1F ZINC001307200004 1052266615 /nfs/dbraw/zinc/26/66/15/1052266615.db2.gz FHEXWEIDTSHLHT-LBPRGKRZSA-N 1 2 356.239 2.983 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001343553537 1052301680 /nfs/dbraw/zinc/30/16/80/1052301680.db2.gz HYUCZISCKMVBAH-QZTJIDSGSA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001343553537 1052301683 /nfs/dbraw/zinc/30/16/83/1052301683.db2.gz HYUCZISCKMVBAH-QZTJIDSGSA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@H](C)C[C@@H]1CC ZINC001343580989 1052318847 /nfs/dbraw/zinc/31/88/47/1052318847.db2.gz KZYCRVNPJGAENU-AEFFLSMTSA-N 1 2 361.534 2.683 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1Cc1ccccc1 ZINC001343687244 1052374380 /nfs/dbraw/zinc/37/43/80/1052374380.db2.gz VCHCZZCYXBNHTE-PKOBYXMFSA-N 1 2 367.497 2.566 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1Cc1ccccc1 ZINC001343687244 1052374387 /nfs/dbraw/zinc/37/43/87/1052374387.db2.gz VCHCZZCYXBNHTE-PKOBYXMFSA-N 1 2 367.497 2.566 20 30 FFEDLO C[N@H+](CC(=O)[C@H](C#N)c1nccn1Cc1ccccc1)[C@H]1CCSC1 ZINC001343705683 1052381578 /nfs/dbraw/zinc/38/15/78/1052381578.db2.gz SWFRHUFFVDOLIO-IRXDYDNUSA-N 1 2 354.479 2.545 20 30 FFEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nccn1Cc1ccccc1)[C@H]1CCSC1 ZINC001343705683 1052381581 /nfs/dbraw/zinc/38/15/81/1052381581.db2.gz SWFRHUFFVDOLIO-IRXDYDNUSA-N 1 2 354.479 2.545 20 30 FFEDLO C=CC[C@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2C[C@@H]2CCOC2)C1 ZINC001345433562 1052444709 /nfs/dbraw/zinc/44/47/09/1052444709.db2.gz OQYPXZXBRWQWCP-ROUUACIJSA-N 1 2 359.518 2.703 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc(C[NH+]2CCCCC2)n1C[C@H]1CCCCO1 ZINC001345587963 1052524684 /nfs/dbraw/zinc/52/46/84/1052524684.db2.gz VUUBRSHSUIXWAE-RBUKOAKNSA-N 1 2 371.529 2.825 20 30 FFEDLO CC[C@@H](C)N(CC)c1nnc(C2CC[NH+](CCC#N)CC2)n1CCOC ZINC001345705641 1052582402 /nfs/dbraw/zinc/58/24/02/1052582402.db2.gz IFSWDCJVLNTWEQ-MRXNPFEDSA-N 1 2 362.522 2.642 20 30 FFEDLO C=C(C)Cn1c(N2CC=C(C(C)(C)C)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001345961722 1052686127 /nfs/dbraw/zinc/68/61/27/1052686127.db2.gz KSLFTUZZDDUPNE-LAUBAEHRSA-N 1 2 373.545 2.948 20 30 FFEDLO C=C(C)Cn1c(N2CC=C(C(C)(C)C)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001345961722 1052686130 /nfs/dbraw/zinc/68/61/30/1052686130.db2.gz KSLFTUZZDDUPNE-LAUBAEHRSA-N 1 2 373.545 2.948 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](C)CC(C)(C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001345961746 1052686181 /nfs/dbraw/zinc/68/61/81/1052686181.db2.gz LEUFWAKJQHUXEL-JXXFODFXSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](C)CC(C)(C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001345961746 1052686182 /nfs/dbraw/zinc/68/61/82/1052686182.db2.gz LEUFWAKJQHUXEL-JXXFODFXSA-N 1 2 361.534 2.638 20 30 FFEDLO CCc1cccnc1C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001345982785 1052694884 /nfs/dbraw/zinc/69/48/84/1052694884.db2.gz WCSXLEHNJRIAJY-UHFFFAOYSA-N 1 2 370.474 2.746 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)OCCc2cn3c([nH+]2)CCCC3)cc1 ZINC001344799224 1052932685 /nfs/dbraw/zinc/93/26/85/1052932685.db2.gz OGCXOPWWXRWSMP-LJQANCHMSA-N 1 2 364.449 2.846 20 30 FFEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC001336066548 1053743371 /nfs/dbraw/zinc/74/33/71/1053743371.db2.gz JGLWIQDGMVUPFS-UHFFFAOYSA-N 1 2 365.405 2.608 20 30 FFEDLO C#CCOCC[N@H+](C)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC001336066548 1053743379 /nfs/dbraw/zinc/74/33/79/1053743379.db2.gz JGLWIQDGMVUPFS-UHFFFAOYSA-N 1 2 365.405 2.608 20 30 FFEDLO N#Cc1ccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c(F)c1 ZINC001337275181 1054615431 /nfs/dbraw/zinc/61/54/31/1054615431.db2.gz QEFVBQYULBLLEE-UHFFFAOYSA-N 1 2 358.442 2.932 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCCC2(CC2)C1 ZINC001351947881 1055079989 /nfs/dbraw/zinc/07/99/89/1055079989.db2.gz BEAJIDUADIBFFC-UHFFFAOYSA-N 1 2 354.502 2.938 20 30 FFEDLO C=CCn1c([C@@H](C)C2CCC2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001351981153 1055098779 /nfs/dbraw/zinc/09/87/79/1055098779.db2.gz LSBMVKOUZKVIIS-INIZCTEOSA-N 1 2 370.501 2.986 20 30 FFEDLO C=CCn1c([C@H](OC)C2CC2)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001352181033 1055252117 /nfs/dbraw/zinc/25/21/17/1055252117.db2.gz NPIQDTPLDKATES-QGZVFWFLSA-N 1 2 368.485 2.585 20 30 FFEDLO N#Cc1ccc(OC2CN(C(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)C2)cc1 ZINC001352229841 1055292304 /nfs/dbraw/zinc/29/23/04/1055292304.db2.gz UTTNGMBOZJSNCP-OAHLLOKOSA-N 1 2 364.327 2.538 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@H]1CC[C@@H]1OC ZINC001356210938 1055388217 /nfs/dbraw/zinc/38/82/17/1055388217.db2.gz SCNITJNFKQJOBX-ROUUACIJSA-N 1 2 372.517 2.561 20 30 FFEDLO CCn1c([C@@H](C)CCC#N)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001356543971 1055568572 /nfs/dbraw/zinc/56/85/72/1055568572.db2.gz PRGYYISFXATJNL-AWEZNQCLSA-N 1 2 353.474 2.729 20 30 FFEDLO C#CCC(C)(C)c1nnc(N2CCc3cc[nH+]c(N(C)C)c3C2)n1CC ZINC001356592381 1055602704 /nfs/dbraw/zinc/60/27/04/1055602704.db2.gz QNVXLVYLGDVOMC-UHFFFAOYSA-N 1 2 352.486 2.623 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC(F)(F)CC[C@H]1C ZINC001338692499 1055736767 /nfs/dbraw/zinc/73/67/67/1055736767.db2.gz BUJDSIHSTUAOAG-CABCVRRESA-N 1 2 369.460 2.870 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC(F)(F)CC[C@H]1C ZINC001338692499 1055736780 /nfs/dbraw/zinc/73/67/80/1055736780.db2.gz BUJDSIHSTUAOAG-CABCVRRESA-N 1 2 369.460 2.870 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1Cc2cccc(OC)c2C1 ZINC001338795761 1055822724 /nfs/dbraw/zinc/82/27/24/1055822724.db2.gz QRYOVVPQAAFXFF-UHFFFAOYSA-N 1 2 353.470 2.979 20 30 FFEDLO N#CC[C@@H](CC(=O)Nc1ccc(C(N)=O)cc1-n1cc[nH+]c1)c1ccccc1 ZINC001544011803 1071580392 /nfs/dbraw/zinc/58/03/92/1071580392.db2.gz NLGCNNLUYLKEJH-INIZCTEOSA-N 1 2 373.416 2.997 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC001338839710 1055860444 /nfs/dbraw/zinc/86/04/44/1055860444.db2.gz FZOZQFFMPKZODG-TVFCKZIOSA-N 1 2 370.501 2.518 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC001338839710 1055860455 /nfs/dbraw/zinc/86/04/55/1055860455.db2.gz FZOZQFFMPKZODG-TVFCKZIOSA-N 1 2 370.501 2.518 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1Cc2ccccc2[C@@H]1CC ZINC001338896076 1055914027 /nfs/dbraw/zinc/91/40/27/1055914027.db2.gz TXSNJOXHBFVVSE-SZMVWBNQSA-N 1 2 353.470 2.673 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1Cc2ccccc2[C@@H]1CC ZINC001338896076 1055914033 /nfs/dbraw/zinc/91/40/33/1055914033.db2.gz TXSNJOXHBFVVSE-SZMVWBNQSA-N 1 2 353.470 2.673 20 30 FFEDLO Cc1ccc(C(=O)/C=C/C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001339084924 1056078300 /nfs/dbraw/zinc/07/83/00/1056078300.db2.gz AVWBLWLPTXHLSA-FVNWOWOISA-N 1 2 351.450 2.949 20 30 FFEDLO C=CCn1c(N2CCC(C(C)(C)C)CC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001339195191 1056189877 /nfs/dbraw/zinc/18/98/77/1056189877.db2.gz GKEPIRNQBVBYIO-JXFKEZNVSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC(C(C)(C)C)CC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339195191 1056189881 /nfs/dbraw/zinc/18/98/81/1056189881.db2.gz GKEPIRNQBVBYIO-JXFKEZNVSA-N 1 2 361.534 2.638 20 30 FFEDLO C[C@@H]([NH2+]Cc1cc(=O)n2ncc(C#N)c2[nH]1)c1nc(C(C)(C)C)cs1 ZINC001473356030 1056197992 /nfs/dbraw/zinc/19/79/92/1056197992.db2.gz PRZRTAGMYNWUIQ-SNVBAGLBSA-N 1 2 356.455 2.911 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC001339541929 1056565133 /nfs/dbraw/zinc/56/51/33/1056565133.db2.gz LVACHZZIAHCRAO-SUNYJGFJSA-N 1 2 369.460 2.870 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC001339541929 1056565144 /nfs/dbraw/zinc/56/51/44/1056565144.db2.gz LVACHZZIAHCRAO-SUNYJGFJSA-N 1 2 369.460 2.870 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(C2CCCC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001358887957 1056583308 /nfs/dbraw/zinc/58/33/08/1056583308.db2.gz FSEPEYBURIRENI-OAHLLOKOSA-N 1 2 352.486 2.903 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2CC[C@H]2CCCCO2)CC1 ZINC001359034827 1056667011 /nfs/dbraw/zinc/66/70/11/1056667011.db2.gz DIYNHTWZMJKKIF-LJQANCHMSA-N 1 2 371.529 2.650 20 30 FFEDLO C=CCOCc1nnc(N2CCC(Nc3cccc[nH+]3)CC2)n1CC=C ZINC001339690890 1056712771 /nfs/dbraw/zinc/71/27/71/1056712771.db2.gz FEMOZSCRBMJUNS-UHFFFAOYSA-N 1 2 354.458 2.643 20 30 FFEDLO N#Cc1cc(Br)ccc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001544857095 1071703066 /nfs/dbraw/zinc/70/30/66/1071703066.db2.gz HZGBHZYWOXYNSJ-CQSZACIVSA-N 1 2 371.238 2.724 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCO1 ZINC001518116567 1058271748 /nfs/dbraw/zinc/27/17/48/1058271748.db2.gz JOWJDAIHWRFYFO-MBOZVWFJSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCO1 ZINC001518116567 1058271768 /nfs/dbraw/zinc/27/17/68/1058271768.db2.gz JOWJDAIHWRFYFO-MBOZVWFJSA-N 1 2 372.517 2.744 20 30 FFEDLO C#CCN(C)c1nnc(-c2ccc[nH]2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001300450879 1058378989 /nfs/dbraw/zinc/37/89/89/1058378989.db2.gz MFKMTDUIIGIMTM-UHFFFAOYSA-N 1 2 371.448 2.636 20 30 FFEDLO Cn1c[nH+]cc1C1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC001519060831 1058611682 /nfs/dbraw/zinc/61/16/82/1058611682.db2.gz UJWGUVOXSJETCF-UHFFFAOYSA-N 1 2 354.479 2.931 20 30 FFEDLO C=CC(C)(C)CC(=O)NC1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001354201548 1058714392 /nfs/dbraw/zinc/71/43/92/1058714392.db2.gz AAOIQMUSKIXJPV-QDIHITRGSA-N 1 2 358.486 2.659 20 30 FFEDLO C=CC(C)(C)CC(=O)NC1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001354201548 1058714407 /nfs/dbraw/zinc/71/44/07/1058714407.db2.gz AAOIQMUSKIXJPV-QDIHITRGSA-N 1 2 358.486 2.659 20 30 FFEDLO C=CCCC(=O)N[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1CC ZINC001519727307 1059002699 /nfs/dbraw/zinc/00/26/99/1059002699.db2.gz LIFKWZYWSOHBCS-DLBZAZTESA-N 1 2 354.454 2.718 20 30 FFEDLO Cc1cc(Cn2c([C@@H]3CCC[N@H+]3C)nnc2N(CCC#N)CC2CC2)no1 ZINC001519910723 1059189376 /nfs/dbraw/zinc/18/93/76/1059189376.db2.gz DHIDGLMMIHXOAR-KRWDZBQOSA-N 1 2 369.473 2.520 20 30 FFEDLO Cc1cc(Cn2c([C@@H]3CCC[N@@H+]3C)nnc2N(CCC#N)CC2CC2)no1 ZINC001519910723 1059189380 /nfs/dbraw/zinc/18/93/80/1059189380.db2.gz DHIDGLMMIHXOAR-KRWDZBQOSA-N 1 2 369.473 2.520 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC(F)(F)C(F)F ZINC001505835840 1059408938 /nfs/dbraw/zinc/40/89/38/1059408938.db2.gz PAGCMEJAQFYUDY-NEPJUHHUSA-N 1 2 354.388 2.552 20 30 FFEDLO C=C(C)CCC(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCC1 ZINC001506373063 1059483777 /nfs/dbraw/zinc/48/37/77/1059483777.db2.gz FXDBSCPTFDYOBU-ZACQAIPSSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C(C)CCC(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCC1 ZINC001506373063 1059483781 /nfs/dbraw/zinc/48/37/81/1059483781.db2.gz FXDBSCPTFDYOBU-ZACQAIPSSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001520243528 1059527935 /nfs/dbraw/zinc/52/79/35/1059527935.db2.gz AWNZGDSFVBEPJL-BZSNNMDCSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001520243528 1059527953 /nfs/dbraw/zinc/52/79/53/1059527953.db2.gz AWNZGDSFVBEPJL-BZSNNMDCSA-N 1 2 370.501 2.520 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001507549428 1059635243 /nfs/dbraw/zinc/63/52/43/1059635243.db2.gz ZEJZPILNZORAKJ-BRWVUGGUSA-N 1 2 368.485 2.670 20 30 FFEDLO O=C(/C=C/c1nccs1)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001520425271 1059675795 /nfs/dbraw/zinc/67/57/95/1059675795.db2.gz MYSPXBHLNDNJDO-ONEGZZNKSA-N 1 2 374.487 2.645 20 30 FFEDLO CCc1nc(C(=O)OCC#Cc2csc(C[NH+]3CCOCC3)c2)c(C)o1 ZINC001520425220 1059676262 /nfs/dbraw/zinc/67/62/62/1059676262.db2.gz LLRXCZSPUBSDER-UHFFFAOYSA-N 1 2 374.462 2.648 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C)n2C[C@@H](C)Sc2ccccc2)CC1 ZINC001507721055 1059700454 /nfs/dbraw/zinc/70/04/54/1059700454.db2.gz XZZWMUJUHKOLNU-MRXNPFEDSA-N 1 2 355.511 2.523 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2CC2(C)CCOCC2)CC1 ZINC001507731873 1059702529 /nfs/dbraw/zinc/70/25/29/1059702529.db2.gz RCNQHYLVKIEPBP-UHFFFAOYSA-N 1 2 371.529 2.508 20 30 FFEDLO C=CCCC[C@H](NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)C(=O)OC ZINC001455831988 1059925436 /nfs/dbraw/zinc/92/54/36/1059925436.db2.gz BDGBLEMWXYQYDY-AWEZNQCLSA-N 1 2 365.380 2.637 20 30 FFEDLO C=C[C@H](O)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CC(C)C ZINC001517390096 1060480258 /nfs/dbraw/zinc/48/02/58/1060480258.db2.gz QTSQFVDHQDUPPH-SFHVURJKSA-N 1 2 373.476 2.615 20 30 FFEDLO N#Cc1cc(F)c(C(F)(F)F)cc1NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001458269404 1060552492 /nfs/dbraw/zinc/55/24/92/1060552492.db2.gz WNFCZNYCFPBFBN-OAHLLOKOSA-N 1 2 371.334 2.908 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1cccc(C)n1 ZINC001355886619 1060695513 /nfs/dbraw/zinc/69/55/13/1060695513.db2.gz HFKKCGIGCKWRBY-SFHVURJKSA-N 1 2 370.501 2.586 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1cccc(C)n1 ZINC001355886619 1060695520 /nfs/dbraw/zinc/69/55/20/1060695520.db2.gz HFKKCGIGCKWRBY-SFHVURJKSA-N 1 2 370.501 2.586 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(C)(F)CC1 ZINC001355887261 1060695583 /nfs/dbraw/zinc/69/55/83/1060695583.db2.gz UGBBXVFXBYPDAD-OAHLLOKOSA-N 1 2 351.470 2.574 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(C)(F)CC1 ZINC001355887261 1060695589 /nfs/dbraw/zinc/69/55/89/1060695589.db2.gz UGBBXVFXBYPDAD-OAHLLOKOSA-N 1 2 351.470 2.574 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(CC1CC1)C1CCCCC1 ZINC001355920708 1060728998 /nfs/dbraw/zinc/72/89/98/1060728998.db2.gz WNLPJNSKVNTDDY-MSOLQXFVSA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(CC1CC1)C1CCCCC1 ZINC001355920708 1060729005 /nfs/dbraw/zinc/72/90/05/1060729005.db2.gz WNLPJNSKVNTDDY-MSOLQXFVSA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001355929063 1060735960 /nfs/dbraw/zinc/73/59/60/1060735960.db2.gz HOPIBFJYYBCDGD-HZPDHXFCSA-N 1 2 371.489 2.696 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001355929063 1060735971 /nfs/dbraw/zinc/73/59/71/1060735971.db2.gz HOPIBFJYYBCDGD-HZPDHXFCSA-N 1 2 371.489 2.696 20 30 FFEDLO CCc1ccc([C@@H]2CN(S(=O)(=O)c3cccc(CC#N)c3)CC[NH2+]2)cc1 ZINC001475809236 1061291171 /nfs/dbraw/zinc/29/11/71/1061291171.db2.gz MYTGJQWLEWKPKO-FQEVSTJZSA-N 1 2 369.490 2.650 20 30 FFEDLO C[C@]1(C(=O)OCC#Cc2csc(C[NH+]3CCOCC3)c2)CC1(F)F ZINC001526991944 1061349953 /nfs/dbraw/zinc/34/99/53/1061349953.db2.gz HTZYHAWSUIDQCE-MRXNPFEDSA-N 1 2 355.406 2.520 20 30 FFEDLO C[C@H](CCC#N)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC1CC1 ZINC001527110426 1061391861 /nfs/dbraw/zinc/39/18/61/1061391861.db2.gz VIKTVESBXYKSDE-MRXNPFEDSA-N 1 2 365.485 2.817 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@]23CCC[C@H]2N(C(=O)CCc2[nH]cc[nH+]2)CC3)C1 ZINC001522059582 1061532987 /nfs/dbraw/zinc/53/29/87/1061532987.db2.gz QRIAFYYNOWBDMD-IIBYNOLFSA-N 1 2 370.497 2.586 20 30 FFEDLO C#C[C@@H](NC(=O)N[C@H](CC)C[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC001478902082 1062147309 /nfs/dbraw/zinc/14/73/09/1062147309.db2.gz XRDUGZMSYGEHQJ-RHSMWYFYSA-N 1 2 367.852 2.563 20 30 FFEDLO N#CC[C@@H](C(=O)N1CC[NH+](CCOc2ccccc2)CC1)c1ccccc1 ZINC001463609265 1062179927 /nfs/dbraw/zinc/17/99/27/1062179927.db2.gz FCLICEQVHMUAPP-OAQYLSRUSA-N 1 2 363.461 2.907 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H](C)C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001529899034 1062429529 /nfs/dbraw/zinc/42/95/29/1062429529.db2.gz XAEOYABIQAOLKG-DJIMGWMZSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H](C)C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001529899034 1062429538 /nfs/dbraw/zinc/42/95/38/1062429538.db2.gz XAEOYABIQAOLKG-DJIMGWMZSA-N 1 2 370.497 2.613 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2nnc(-c3occc3C)o2)[C@@H]1C ZINC001479715377 1062894012 /nfs/dbraw/zinc/89/40/12/1062894012.db2.gz WXZHHNHETPNGAZ-KGLIPLIRSA-N 1 2 358.442 2.929 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2nnc(-c3occc3C)o2)[C@@H]1C ZINC001479715377 1062894030 /nfs/dbraw/zinc/89/40/30/1062894030.db2.gz WXZHHNHETPNGAZ-KGLIPLIRSA-N 1 2 358.442 2.929 20 30 FFEDLO C[N@@H+]1CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)[C@@H](Cc2ccccc2)C1 ZINC001469806183 1064213855 /nfs/dbraw/zinc/21/38/55/1064213855.db2.gz WHSZDHDAHAWVSA-DBBZSVRUSA-N 1 2 366.436 2.793 20 30 FFEDLO C[N@H+]1CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)[C@@H](Cc2ccccc2)C1 ZINC001469806183 1064213862 /nfs/dbraw/zinc/21/38/62/1064213862.db2.gz WHSZDHDAHAWVSA-DBBZSVRUSA-N 1 2 366.436 2.793 20 30 FFEDLO N#Cc1ccccc1OCC(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001470634828 1064390309 /nfs/dbraw/zinc/39/03/09/1064390309.db2.gz SETVZSAFJUGQQY-QGZVFWFLSA-N 1 2 355.825 2.764 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCCCCc1c[nH]nn1 ZINC001575060183 1078102442 /nfs/dbraw/zinc/10/24/42/1078102442.db2.gz VEMMMNFOCVIKBH-MRXNPFEDSA-N 1 2 353.898 2.631 20 30 FFEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CCCCCc1c[nH]nn1 ZINC001575060183 1078102444 /nfs/dbraw/zinc/10/24/44/1078102444.db2.gz VEMMMNFOCVIKBH-MRXNPFEDSA-N 1 2 353.898 2.631 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001472129427 1064946257 /nfs/dbraw/zinc/94/62/57/1064946257.db2.gz LOSFXZDXAYIFGS-MOPGFXCFSA-N 1 2 371.456 2.547 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001472129427 1064946264 /nfs/dbraw/zinc/94/62/64/1064946264.db2.gz LOSFXZDXAYIFGS-MOPGFXCFSA-N 1 2 371.456 2.547 20 30 FFEDLO O=c1[nH]c2cccc(N3CC[NH+](CC#Cc4ccc(F)cc4)CC3)c2[nH]1 ZINC001473818934 1065375432 /nfs/dbraw/zinc/37/54/32/1065375432.db2.gz AHLCCITYVREXHY-UHFFFAOYSA-N 1 2 350.397 2.581 20 30 FFEDLO N#Cc1ccc(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)nc1 ZINC001583945901 1079286058 /nfs/dbraw/zinc/28/60/58/1079286058.db2.gz DCBHAXXNAZEGJR-UHFFFAOYSA-N 1 2 357.417 2.785 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001560143182 1076234377 /nfs/dbraw/zinc/23/43/77/1076234377.db2.gz SQOCEIAWNYIBKF-BEFAXECRSA-N 1 2 352.475 2.827 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001560143182 1076234382 /nfs/dbraw/zinc/23/43/82/1076234382.db2.gz SQOCEIAWNYIBKF-BEFAXECRSA-N 1 2 352.475 2.827 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)/C(C)=C/CC)C1 ZINC001565999513 1076834921 /nfs/dbraw/zinc/83/49/21/1076834921.db2.gz UPTRMHUEFSDMPH-UVQNPWMRSA-N 1 2 369.509 2.619 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)/C(C)=C/CC)C1 ZINC001565999513 1076834925 /nfs/dbraw/zinc/83/49/25/1076834925.db2.gz UPTRMHUEFSDMPH-UVQNPWMRSA-N 1 2 369.509 2.619 20 30 FFEDLO C#CCCCCC(=O)N1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001571926491 1077290546 /nfs/dbraw/zinc/29/05/46/1077290546.db2.gz XRZPJCPOQOECLL-RCCFBDPRSA-N 1 2 370.497 2.594 20 30 FFEDLO C#CCCCCC(=O)N1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001571926491 1077290549 /nfs/dbraw/zinc/29/05/49/1077290549.db2.gz XRZPJCPOQOECLL-RCCFBDPRSA-N 1 2 370.497 2.594 20 30 FFEDLO CCCCCCCC[C@H](C)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001586248392 1079583809 /nfs/dbraw/zinc/58/38/09/1079583809.db2.gz LQLUHTBHUYQOMB-RBUKOAKNSA-N 1 2 354.535 2.933 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001588742181 1080178313 /nfs/dbraw/zinc/17/83/13/1080178313.db2.gz OYLQEIGJQKMRHK-SQNIBIBYSA-N 1 2 373.545 2.750 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2Cc2ccc(CSC)cc2)CC1 ZINC001588836498 1080213010 /nfs/dbraw/zinc/21/30/10/1080213010.db2.gz KEXVTXBVNSZAKU-UHFFFAOYSA-N 1 2 369.538 2.507 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C#N)CC2 ZINC000007418515 249310349 /nfs/dbraw/zinc/31/03/49/249310349.db2.gz MQYGSNQFKYOSLM-AWEZNQCLSA-N 1 2 365.433 2.961 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+]([C@@H](C)C(=O)Nc1ccccc1C#N)CC2 ZINC000007418515 249310351 /nfs/dbraw/zinc/31/03/51/249310351.db2.gz MQYGSNQFKYOSLM-AWEZNQCLSA-N 1 2 365.433 2.961 20 30 FFEDLO N#Cc1cc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)ccc1F ZINC000102955708 250128569 /nfs/dbraw/zinc/12/85/69/250128569.db2.gz DDGHJNJTXLKGBX-UHFFFAOYSA-N 1 2 368.412 2.851 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186847648 251274631 /nfs/dbraw/zinc/27/46/31/251274631.db2.gz ZEWKIAFSAWDKJL-UHFFFAOYSA-N 1 2 365.886 2.748 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCSC2(CCOCC2)C1 ZINC000186847648 251274636 /nfs/dbraw/zinc/27/46/36/251274636.db2.gz ZEWKIAFSAWDKJL-UHFFFAOYSA-N 1 2 365.886 2.748 20 30 FFEDLO Cc1nnc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c(C#N)c1C ZINC000272331641 252013480 /nfs/dbraw/zinc/01/34/80/252013480.db2.gz ADPLSVUJKKSDRE-UHFFFAOYSA-N 1 2 358.449 2.967 20 30 FFEDLO CC(C)[N@@H+]1CCc2nc(NS(=O)(=O)c3cccc(C#N)c3)sc2C1 ZINC000272970341 252177115 /nfs/dbraw/zinc/17/71/15/252177115.db2.gz RAVOFAZILOXWIH-UHFFFAOYSA-N 1 2 362.480 2.582 20 30 FFEDLO CC(C)[N@H+]1CCc2nc(NS(=O)(=O)c3cccc(C#N)c3)sc2C1 ZINC000272970341 252177119 /nfs/dbraw/zinc/17/71/19/252177119.db2.gz RAVOFAZILOXWIH-UHFFFAOYSA-N 1 2 362.480 2.582 20 30 FFEDLO CC1(C)C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@@H]1O ZINC000275487407 256014345 /nfs/dbraw/zinc/01/43/45/256014345.db2.gz PAMQHQNXZVSSGC-INIZCTEOSA-N 1 2 361.511 2.920 20 30 FFEDLO CC1(C)C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@@H]1O ZINC000275487407 256014347 /nfs/dbraw/zinc/01/43/47/256014347.db2.gz PAMQHQNXZVSSGC-INIZCTEOSA-N 1 2 361.511 2.920 20 30 FFEDLO CCOc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)ccc1[N+](=O)[O-] ZINC000276926586 256143540 /nfs/dbraw/zinc/14/35/40/256143540.db2.gz QCABFPYGCDGOCD-UHFFFAOYSA-N 1 2 367.409 2.582 20 30 FFEDLO CCOC1CC(CNc2c(F)cc(C#N)cc2F)([NH+]2CCOCC2)C1 ZINC000278006375 256266023 /nfs/dbraw/zinc/26/60/23/256266023.db2.gz NZDPXLRCUVYREI-UHFFFAOYSA-N 1 2 351.397 2.518 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cnc(-c4ccco4)s3)CC2)c1 ZINC000278481488 256317357 /nfs/dbraw/zinc/31/73/57/256317357.db2.gz SAOBIAGCNWUZCE-UHFFFAOYSA-N 1 2 351.435 2.992 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000287895863 257127413 /nfs/dbraw/zinc/12/74/13/257127413.db2.gz UMLBNZYCNBSKEA-CYBMUJFWSA-N 1 2 360.259 2.824 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000287895863 257127415 /nfs/dbraw/zinc/12/74/15/257127415.db2.gz UMLBNZYCNBSKEA-CYBMUJFWSA-N 1 2 360.259 2.824 20 30 FFEDLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000287538380 257094752 /nfs/dbraw/zinc/09/47/52/257094752.db2.gz OAWBGLCEVMEVDS-KRWDZBQOSA-N 1 2 363.421 2.887 20 30 FFEDLO N#Cc1cc(Cl)ccc1N1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000301192293 258032489 /nfs/dbraw/zinc/03/24/89/258032489.db2.gz MBDJZBHYHFRMOT-SFHVURJKSA-N 1 2 354.841 2.560 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3c(C#N)cccc3C#N)CC2)cc(OC)c1 ZINC000302775128 258110133 /nfs/dbraw/zinc/11/01/33/258110133.db2.gz AATDXQIUJRQOIE-UHFFFAOYSA-N 1 2 362.433 2.769 20 30 FFEDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000330742108 258169773 /nfs/dbraw/zinc/16/97/73/258169773.db2.gz QDYOAXNIYZFMET-AWEZNQCLSA-N 1 2 350.260 2.811 20 30 FFEDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000330742108 258169774 /nfs/dbraw/zinc/16/97/74/258169774.db2.gz QDYOAXNIYZFMET-AWEZNQCLSA-N 1 2 350.260 2.811 20 30 FFEDLO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1nc(C(C)(C)C)no1 ZINC000331451567 258186662 /nfs/dbraw/zinc/18/66/62/258186662.db2.gz XSNJOETVQFIKGS-PWSUYJOCSA-N 1 2 359.455 2.756 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCO[C@@H](C4CCCCC4)C3)C2=O)cc1 ZINC000329691238 258144985 /nfs/dbraw/zinc/14/49/85/258144985.db2.gz WGBWWLCRDGFDHD-WOJBJXKFSA-N 1 2 353.466 2.945 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCO[C@@H](C4CCCCC4)C3)C2=O)cc1 ZINC000329691238 258144986 /nfs/dbraw/zinc/14/49/86/258144986.db2.gz WGBWWLCRDGFDHD-WOJBJXKFSA-N 1 2 353.466 2.945 20 30 FFEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(Cc3cc(C#N)ccc3F)CC2)C1 ZINC000331940098 258207136 /nfs/dbraw/zinc/20/71/36/258207136.db2.gz GKFSTXPQTVODCU-QFBILLFUSA-N 1 2 372.488 2.510 20 30 FFEDLO CN(C(=O)C[NH+]1CCN(Cc2cccc(C#N)c2F)CC1)C1CCCCC1 ZINC000332009942 258210182 /nfs/dbraw/zinc/21/01/82/258210182.db2.gz SPYQIWROTQKSFF-UHFFFAOYSA-N 1 2 372.488 2.606 20 30 FFEDLO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000332514216 258233065 /nfs/dbraw/zinc/23/30/65/258233065.db2.gz LMOVGERKFIKHBL-QGZVFWFLSA-N 1 2 358.461 2.610 20 30 FFEDLO C[C@@H](NC(=O)N1CCn2cc[nH+]c2C1)c1ccc(Br)cn1 ZINC000330034292 510904513 /nfs/dbraw/zinc/90/45/13/510904513.db2.gz WHACYOJVUDOXRH-SNVBAGLBSA-N 1 2 350.220 2.531 20 30 FFEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O ZINC000410308852 512236781 /nfs/dbraw/zinc/23/67/81/512236781.db2.gz ZMJSUAOIQUYBTF-MRXNPFEDSA-N 1 2 353.388 2.614 20 30 FFEDLO COc1ccc(-c2nc(C=C(O)NC3=[NH+]CCS3)cs2)cc1OC ZINC000036724747 506413541 /nfs/dbraw/zinc/41/35/41/506413541.db2.gz KLRWFDNYBAQCTO-UHFFFAOYSA-N 1 2 363.464 2.589 20 30 FFEDLO N#Cc1cccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000053959551 506465309 /nfs/dbraw/zinc/46/53/09/506465309.db2.gz HMJOVOOELWYVPO-IBGZPJMESA-N 1 2 350.422 2.581 20 30 FFEDLO N#Cc1cccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000053959551 506465316 /nfs/dbraw/zinc/46/53/16/506465316.db2.gz HMJOVOOELWYVPO-IBGZPJMESA-N 1 2 350.422 2.581 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)C[C@@H](C)C#N ZINC000066424429 506513742 /nfs/dbraw/zinc/51/37/42/506513742.db2.gz GOTJDLZIOZBNLD-DOTOQJQBSA-N 1 2 357.454 2.603 20 30 FFEDLO CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)C[C@@H](C)C#N ZINC000066424429 506513748 /nfs/dbraw/zinc/51/37/48/506513748.db2.gz GOTJDLZIOZBNLD-DOTOQJQBSA-N 1 2 357.454 2.603 20 30 FFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000043830432 506785954 /nfs/dbraw/zinc/78/59/54/506785954.db2.gz LXGLYNRNHDKACT-UHFFFAOYSA-N 1 2 353.382 2.654 20 30 FFEDLO Cn1ncc2c1nc[nH+]c2SCC(=O)Nc1cc(Cl)ccc1C#N ZINC000011676100 506786703 /nfs/dbraw/zinc/78/67/03/506786703.db2.gz ZPBWROKGNHIWJG-UHFFFAOYSA-N 1 2 358.814 2.619 20 30 FFEDLO CCCc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n[nH]1 ZINC000044151300 506817334 /nfs/dbraw/zinc/81/73/34/506817334.db2.gz PCXYXMFHTWAGFP-UHFFFAOYSA-N 1 2 351.454 2.582 20 30 FFEDLO CCCc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n[nH]1 ZINC000044151300 506817340 /nfs/dbraw/zinc/81/73/40/506817340.db2.gz PCXYXMFHTWAGFP-UHFFFAOYSA-N 1 2 351.454 2.582 20 30 FFEDLO N#Cc1ccc(NC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)cc1 ZINC000045029467 506908388 /nfs/dbraw/zinc/90/83/88/506908388.db2.gz WDYDYSVIEMXJLX-UHFFFAOYSA-N 1 2 360.421 2.556 20 30 FFEDLO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C#N)c(SC)[nH]c1=O)c1ccco1 ZINC000067593564 506941203 /nfs/dbraw/zinc/94/12/03/506941203.db2.gz BHUZTYYNBMBREG-AWEZNQCLSA-N 1 2 374.466 2.787 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](CCC(=O)Nc3cc(N)ccc3F)CCO2)c1 ZINC000371290867 512310057 /nfs/dbraw/zinc/31/00/57/512310057.db2.gz FVNFMBCAQAUGMS-IBGZPJMESA-N 1 2 368.412 2.682 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCC(=O)Nc3cc(N)ccc3F)CCO2)c1 ZINC000371290867 512310061 /nfs/dbraw/zinc/31/00/61/512310061.db2.gz FVNFMBCAQAUGMS-IBGZPJMESA-N 1 2 368.412 2.682 20 30 FFEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000056490018 507027830 /nfs/dbraw/zinc/02/78/30/507027830.db2.gz WQKGOGJQAHRRLW-CYBMUJFWSA-N 1 2 356.297 2.974 20 30 FFEDLO C=CCN(Cc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000045845297 507031438 /nfs/dbraw/zinc/03/14/38/507031438.db2.gz DZZCNZGTYSXTJO-UHFFFAOYSA-N 1 2 366.465 2.816 20 30 FFEDLO CN1CC[NH+](Cc2cccc(NC(=O)CCc3ccc(C#N)cc3)c2)CC1 ZINC000057054706 507162105 /nfs/dbraw/zinc/16/21/05/507162105.db2.gz SFWGKFWKBOAPID-UHFFFAOYSA-N 1 2 362.477 2.877 20 30 FFEDLO COc1cc[nH+]cc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000068324880 507187389 /nfs/dbraw/zinc/18/73/89/507187389.db2.gz QARBCYCBBZOWFE-UHFFFAOYSA-N 1 2 352.394 2.756 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1Cl ZINC000375440013 512329403 /nfs/dbraw/zinc/32/94/03/512329403.db2.gz VFDLBHYLOQTJEJ-CYBMUJFWSA-N 1 2 371.828 2.900 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1Cl ZINC000375440013 512329406 /nfs/dbraw/zinc/32/94/06/512329406.db2.gz VFDLBHYLOQTJEJ-CYBMUJFWSA-N 1 2 371.828 2.900 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000068760155 507316591 /nfs/dbraw/zinc/31/65/91/507316591.db2.gz TVOPCVZUAIKZNR-UHFFFAOYSA-N 1 2 359.433 2.926 20 30 FFEDLO Cc1nc(C2([NH2+]C[C@H](O)COc3ccc(C#N)cc3)CCCCCC2)no1 ZINC000068957520 507370682 /nfs/dbraw/zinc/37/06/82/507370682.db2.gz HTINYVUFEQRFAT-KRWDZBQOSA-N 1 2 370.453 2.829 20 30 FFEDLO N#Cc1ccc(CSCC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000047793469 507394615 /nfs/dbraw/zinc/39/46/15/507394615.db2.gz MBWSSADWSXJHOK-UHFFFAOYSA-N 1 2 355.463 2.729 20 30 FFEDLO COCC[N@H+](CC(=O)N(C)Cc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000058397840 507412395 /nfs/dbraw/zinc/41/23/95/507412395.db2.gz CPEJNRWDGPMFSR-UHFFFAOYSA-N 1 2 369.440 2.804 20 30 FFEDLO COCC[N@@H+](CC(=O)N(C)Cc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000058397840 507412403 /nfs/dbraw/zinc/41/24/03/507412403.db2.gz CPEJNRWDGPMFSR-UHFFFAOYSA-N 1 2 369.440 2.804 20 30 FFEDLO CCn1c2nnc(C[N@H+](C)Cc3cccc(C#N)c3)n2c2ccccc2c1=O ZINC000026327529 507579448 /nfs/dbraw/zinc/57/94/48/507579448.db2.gz YVZMICAMLSGRPO-UHFFFAOYSA-N 1 2 372.432 2.568 20 30 FFEDLO CCn1c2nnc(C[N@@H+](C)Cc3cccc(C#N)c3)n2c2ccccc2c1=O ZINC000026327529 507579451 /nfs/dbraw/zinc/57/94/51/507579451.db2.gz YVZMICAMLSGRPO-UHFFFAOYSA-N 1 2 372.432 2.568 20 30 FFEDLO CS(=O)(=O)c1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000371367314 512356216 /nfs/dbraw/zinc/35/62/16/512356216.db2.gz XDDBJGCOLQHNHT-UHFFFAOYSA-N 1 2 369.490 2.674 20 30 FFEDLO CS(=O)(=O)c1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000371367314 512356218 /nfs/dbraw/zinc/35/62/18/512356218.db2.gz XDDBJGCOLQHNHT-UHFFFAOYSA-N 1 2 369.490 2.674 20 30 FFEDLO COCC[N@H+](CC(=O)NCCc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000063754590 507768281 /nfs/dbraw/zinc/76/82/81/507768281.db2.gz LARHCBIVCRDUBJ-UHFFFAOYSA-N 1 2 369.440 2.505 20 30 FFEDLO COCC[N@@H+](CC(=O)NCCc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000063754590 507768282 /nfs/dbraw/zinc/76/82/82/507768282.db2.gz LARHCBIVCRDUBJ-UHFFFAOYSA-N 1 2 369.440 2.505 20 30 FFEDLO C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029446246 507778455 /nfs/dbraw/zinc/77/84/55/507778455.db2.gz RCCUFMRUFHBCHJ-HNNXBMFYSA-N 1 2 360.421 2.886 20 30 FFEDLO CN(Cc1cccs1)C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000030967962 507815260 /nfs/dbraw/zinc/81/52/60/507815260.db2.gz QKLGYAIAMLNBKX-UHFFFAOYSA-N 1 2 372.469 2.539 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SC ZINC000031041583 507816440 /nfs/dbraw/zinc/81/64/40/507816440.db2.gz CKHVUWGILYUCSA-OAHLLOKOSA-N 1 2 361.511 2.868 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000031041583 507816441 /nfs/dbraw/zinc/81/64/41/507816441.db2.gz CKHVUWGILYUCSA-OAHLLOKOSA-N 1 2 361.511 2.868 20 30 FFEDLO CC(=O)N1CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC12CCCCC2 ZINC000371377385 512362071 /nfs/dbraw/zinc/36/20/71/512362071.db2.gz CLTOTMIXMPPZPZ-QGZVFWFLSA-N 1 2 374.529 2.585 20 30 FFEDLO CC(=O)N1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC12CCCCC2 ZINC000371377385 512362073 /nfs/dbraw/zinc/36/20/73/512362073.db2.gz CLTOTMIXMPPZPZ-QGZVFWFLSA-N 1 2 374.529 2.585 20 30 FFEDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072632588 507834828 /nfs/dbraw/zinc/83/48/28/507834828.db2.gz ZZGASHOBUCAKGA-INIZCTEOSA-N 1 2 374.510 2.574 20 30 FFEDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072632588 507834830 /nfs/dbraw/zinc/83/48/30/507834830.db2.gz ZZGASHOBUCAKGA-INIZCTEOSA-N 1 2 374.510 2.574 20 30 FFEDLO COC(=O)Nc1ccc(CNC(=O)C[N@H+](CCC#N)CCC(C)C)cc1 ZINC000072691210 507843126 /nfs/dbraw/zinc/84/31/26/507843126.db2.gz VAHXVPJLQXDMDN-UHFFFAOYSA-N 1 2 360.458 2.743 20 30 FFEDLO COC(=O)Nc1ccc(CNC(=O)C[N@@H+](CCC#N)CCC(C)C)cc1 ZINC000072691210 507843127 /nfs/dbraw/zinc/84/31/27/507843127.db2.gz VAHXVPJLQXDMDN-UHFFFAOYSA-N 1 2 360.458 2.743 20 30 FFEDLO CC(C)N(C(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1)C(C)C ZINC000078269249 507853234 /nfs/dbraw/zinc/85/32/34/507853234.db2.gz IKGNXJMDJHVYBS-AZUAARDMSA-N 1 2 356.514 2.903 20 30 FFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000078615624 507889493 /nfs/dbraw/zinc/88/94/93/507889493.db2.gz HFISMFYQEAIBQZ-BATSVXPKSA-N 1 2 370.497 2.876 20 30 FFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000078615624 507889495 /nfs/dbraw/zinc/88/94/95/507889495.db2.gz HFISMFYQEAIBQZ-BATSVXPKSA-N 1 2 370.497 2.876 20 30 FFEDLO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078616262 507889666 /nfs/dbraw/zinc/88/96/66/507889666.db2.gz MBYCGSDDEFJCSF-SFTDATJTSA-N 1 2 362.477 2.698 20 30 FFEDLO Cc1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1Cl ZINC000078635959 507892328 /nfs/dbraw/zinc/89/23/28/507892328.db2.gz UQLHJGJNIHTWCH-UHFFFAOYSA-N 1 2 350.850 2.728 20 30 FFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCN(c2ccccn2)CC1 ZINC000073603179 507936196 /nfs/dbraw/zinc/93/61/96/507936196.db2.gz GFCIXMNDNSEBPQ-WBTXTPOCSA-N 1 2 369.513 2.523 20 30 FFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCN(c2ccccn2)CC1 ZINC000073603177 507936325 /nfs/dbraw/zinc/93/63/25/507936325.db2.gz GFCIXMNDNSEBPQ-IDYZSHNDSA-N 1 2 369.513 2.523 20 30 FFEDLO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091068340 507949266 /nfs/dbraw/zinc/94/92/66/507949266.db2.gz UIAGSBRXXZDMOV-KRWDZBQOSA-N 1 2 352.438 2.970 20 30 FFEDLO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091068340 507949269 /nfs/dbraw/zinc/94/92/69/507949269.db2.gz UIAGSBRXXZDMOV-KRWDZBQOSA-N 1 2 352.438 2.970 20 30 FFEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000091980911 508029691 /nfs/dbraw/zinc/02/96/91/508029691.db2.gz GWISMYNYDYQCGA-YWZLYKJASA-N 1 2 366.440 2.603 20 30 FFEDLO C=CC[N@@H+](Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1)Cc1ccccc1 ZINC000092261593 508055337 /nfs/dbraw/zinc/05/53/37/508055337.db2.gz UBYPMIBCGCFJRF-IBGZPJMESA-N 1 2 359.495 2.605 20 30 FFEDLO C=CC[N@H+](Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1)Cc1ccccc1 ZINC000092261593 508055340 /nfs/dbraw/zinc/05/53/40/508055340.db2.gz UBYPMIBCGCFJRF-IBGZPJMESA-N 1 2 359.495 2.605 20 30 FFEDLO CC(C)OCC[NH+]1CCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000080482619 508076991 /nfs/dbraw/zinc/07/69/91/508076991.db2.gz YMPDDQQSHPJWCC-HXUWFJFHSA-N 1 2 373.497 2.531 20 30 FFEDLO C=CC1CC[NH+](CC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)CC1 ZINC000111260271 508083033 /nfs/dbraw/zinc/08/30/33/508083033.db2.gz JUZYPWQLMIKMGF-QGZVFWFLSA-N 1 2 364.511 2.545 20 30 FFEDLO CC[C@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000111273940 508084822 /nfs/dbraw/zinc/08/48/22/508084822.db2.gz HMSAGZPLIRCIJT-YOEHRIQHSA-N 1 2 368.399 2.672 20 30 FFEDLO CC[C@H]1C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000111273940 508084824 /nfs/dbraw/zinc/08/48/24/508084824.db2.gz HMSAGZPLIRCIJT-YOEHRIQHSA-N 1 2 368.399 2.672 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc2c1OCO2 ZINC000092596682 508085401 /nfs/dbraw/zinc/08/54/01/508085401.db2.gz GCVDOBHDWJOMSU-UHFFFAOYSA-N 1 2 369.396 2.757 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC([C@H](C)O)CC1 ZINC000111285128 508085750 /nfs/dbraw/zinc/08/57/50/508085750.db2.gz IRFSBVFKPHKYRR-GJZGRUSLSA-N 1 2 361.511 2.970 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111291161 508087605 /nfs/dbraw/zinc/08/76/05/508087605.db2.gz FTEATSRVLBKXFB-INIZCTEOSA-N 1 2 373.522 2.990 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111291161 508087608 /nfs/dbraw/zinc/08/76/08/508087608.db2.gz FTEATSRVLBKXFB-INIZCTEOSA-N 1 2 373.522 2.990 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CC(=O)NCCC2=CCCCC2)CC1 ZINC000080907168 508110798 /nfs/dbraw/zinc/11/07/98/508110798.db2.gz NJWIKNCJMAAEJU-NRFANRHFSA-N 1 2 366.509 2.876 20 30 FFEDLO COCC[N@H+](CCC#N)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000093099889 508120710 /nfs/dbraw/zinc/12/07/10/508120710.db2.gz IMXBCSNLVUQSBX-UHFFFAOYSA-N 1 2 369.259 2.972 20 30 FFEDLO COCC[N@@H+](CCC#N)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000093099889 508120711 /nfs/dbraw/zinc/12/07/11/508120711.db2.gz IMXBCSNLVUQSBX-UHFFFAOYSA-N 1 2 369.259 2.972 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCN(c4ccc(O)cc4)CC3)o2)cc1 ZINC000075594594 508121021 /nfs/dbraw/zinc/12/10/21/508121021.db2.gz RAQMYYKHXJLQFI-UHFFFAOYSA-N 1 2 361.405 2.636 20 30 FFEDLO C=CC1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000111896168 508135596 /nfs/dbraw/zinc/13/55/96/508135596.db2.gz SMBSYAOZHWPBQV-FQEVSTJZSA-N 1 2 357.498 2.538 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000076193046 508168208 /nfs/dbraw/zinc/16/82/08/508168208.db2.gz ZUIFMXOBCIDHCK-FPOVZHCZSA-N 1 2 352.434 2.566 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000076193046 508168210 /nfs/dbraw/zinc/16/82/10/508168210.db2.gz ZUIFMXOBCIDHCK-FPOVZHCZSA-N 1 2 352.434 2.566 20 30 FFEDLO COc1ccccc1C[C@@H](C)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081515574 508184602 /nfs/dbraw/zinc/18/46/02/508184602.db2.gz SBUFYNVIRNAERT-MRXNPFEDSA-N 1 2 372.490 2.904 20 30 FFEDLO COc1ccccc1C[C@@H](C)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081515574 508184604 /nfs/dbraw/zinc/18/46/04/508184604.db2.gz SBUFYNVIRNAERT-MRXNPFEDSA-N 1 2 372.490 2.904 20 30 FFEDLO CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccc2c(c1)OCO2 ZINC000097027602 508217633 /nfs/dbraw/zinc/21/76/33/508217633.db2.gz YBRRMWUWBDXDDB-UHFFFAOYSA-N 1 2 355.394 2.957 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccc2c(c1)OCO2 ZINC000097027602 508217634 /nfs/dbraw/zinc/21/76/34/508217634.db2.gz YBRRMWUWBDXDDB-UHFFFAOYSA-N 1 2 355.394 2.957 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc(Br)s1 ZINC000076607281 508231033 /nfs/dbraw/zinc/23/10/33/508231033.db2.gz AJKAFPQYCPCYAZ-LLVKDONJSA-N 1 2 358.305 2.951 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccc(Br)s1 ZINC000076607281 508231035 /nfs/dbraw/zinc/23/10/35/508231035.db2.gz AJKAFPQYCPCYAZ-LLVKDONJSA-N 1 2 358.305 2.951 20 30 FFEDLO N#Cc1ccccc1N1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000101519699 508242306 /nfs/dbraw/zinc/24/23/06/508242306.db2.gz ASAPSNHYPUWFMT-UHFFFAOYSA-N 1 2 371.444 2.765 20 30 FFEDLO CC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1cnn(C)c1 ZINC000101730487 508255162 /nfs/dbraw/zinc/25/51/62/508255162.db2.gz QJXRXLJNGUMVKB-UHFFFAOYSA-N 1 2 359.861 2.842 20 30 FFEDLO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1cnn(C)c1 ZINC000101730487 508255165 /nfs/dbraw/zinc/25/51/65/508255165.db2.gz QJXRXLJNGUMVKB-UHFFFAOYSA-N 1 2 359.861 2.842 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CCc3c[nH+]ccc32)cc1C(F)(F)F ZINC000084015320 508263199 /nfs/dbraw/zinc/26/31/99/508263199.db2.gz NPLQWNBPFLQFFN-UHFFFAOYSA-N 1 2 353.325 2.723 20 30 FFEDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000103474358 508314142 /nfs/dbraw/zinc/31/41/42/508314142.db2.gz GWRFMPSGNVZAON-OAHLLOKOSA-N 1 2 357.433 2.716 20 30 FFEDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000103474358 508314144 /nfs/dbraw/zinc/31/41/44/508314144.db2.gz GWRFMPSGNVZAON-OAHLLOKOSA-N 1 2 357.433 2.716 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000104770126 508345517 /nfs/dbraw/zinc/34/55/17/508345517.db2.gz MBRUBULNIPPFSH-UHFFFAOYSA-N 1 2 368.868 2.968 20 30 FFEDLO N#Cc1ccc(C(=O)NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)cn1 ZINC000115033099 508366026 /nfs/dbraw/zinc/36/60/26/508366026.db2.gz DNKXILSGXQVGAW-UHFFFAOYSA-N 1 2 369.428 2.841 20 30 FFEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105297897 508369271 /nfs/dbraw/zinc/36/92/71/508369271.db2.gz LLSCTWIARNTFPC-IRXDYDNUSA-N 1 2 361.486 2.502 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1OC ZINC000152559053 508470021 /nfs/dbraw/zinc/47/00/21/508470021.db2.gz IMVWIFKTKBIRLI-INIZCTEOSA-N 1 2 353.422 2.664 20 30 FFEDLO COc1ccc(C#N)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000116213725 508487952 /nfs/dbraw/zinc/48/79/52/508487952.db2.gz CHUSMIXNCXCLNB-UHFFFAOYSA-N 1 2 363.333 2.913 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000156895311 508493093 /nfs/dbraw/zinc/49/30/93/508493093.db2.gz FSZNJGGNPVNCAC-GOSISDBHSA-N 1 2 355.463 2.518 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000156895311 508493098 /nfs/dbraw/zinc/49/30/98/508493098.db2.gz FSZNJGGNPVNCAC-GOSISDBHSA-N 1 2 355.463 2.518 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000156931708 508498949 /nfs/dbraw/zinc/49/89/49/508498949.db2.gz AOZLGJSCXKOHOH-IBGZPJMESA-N 1 2 369.490 2.908 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000156931708 508498952 /nfs/dbraw/zinc/49/89/52/508498952.db2.gz AOZLGJSCXKOHOH-IBGZPJMESA-N 1 2 369.490 2.908 20 30 FFEDLO C[C@@H](C#N)N(C)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000410881966 512399562 /nfs/dbraw/zinc/39/95/62/512399562.db2.gz FZPYCIAZDOFVRF-SWLSCSKDSA-N 1 2 350.260 2.956 20 30 FFEDLO C=CCNC(=O)c1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)nc1 ZINC000152966280 508535140 /nfs/dbraw/zinc/53/51/40/508535140.db2.gz BPMDGMKOKKACFQ-UHFFFAOYSA-N 1 2 370.884 2.973 20 30 FFEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3ccc(C#N)cc3)CCCC2)no1 ZINC000128286703 508573112 /nfs/dbraw/zinc/57/31/12/508573112.db2.gz GPIHBRVREFSFNK-UHFFFAOYSA-N 1 2 367.453 2.982 20 30 FFEDLO C=CC[C@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000116973669 508574476 /nfs/dbraw/zinc/57/44/76/508574476.db2.gz FZQMMKTZKSGOLF-SUMWQHHRSA-N 1 2 358.442 2.791 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117354123 508594556 /nfs/dbraw/zinc/59/45/56/508594556.db2.gz LBQFTUUFUQCDFU-JTQLQIEISA-N 1 2 359.314 2.811 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117354123 508594559 /nfs/dbraw/zinc/59/45/59/508594559.db2.gz LBQFTUUFUQCDFU-JTQLQIEISA-N 1 2 359.314 2.811 20 30 FFEDLO C[N@H+](CCCOc1ccccc1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128455397 508594844 /nfs/dbraw/zinc/59/48/44/508594844.db2.gz LRHBYGXJDQHJPJ-UHFFFAOYSA-N 1 2 358.463 2.733 20 30 FFEDLO C[N@@H+](CCCOc1ccccc1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128455397 508594847 /nfs/dbraw/zinc/59/48/47/508594847.db2.gz LRHBYGXJDQHJPJ-UHFFFAOYSA-N 1 2 358.463 2.733 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117351922 508595006 /nfs/dbraw/zinc/59/50/06/508595006.db2.gz INYZNHRBAACOTL-NSHDSACASA-N 1 2 359.314 2.858 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117351922 508595008 /nfs/dbraw/zinc/59/50/08/508595008.db2.gz INYZNHRBAACOTL-NSHDSACASA-N 1 2 359.314 2.858 20 30 FFEDLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccn(CCC#N)n3)cn2c1 ZINC000117855441 508621321 /nfs/dbraw/zinc/62/13/21/508621321.db2.gz FCIDWXKWZATLCX-UHFFFAOYSA-N 1 2 354.439 2.625 20 30 FFEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1Cl ZINC000153713062 508632750 /nfs/dbraw/zinc/63/27/50/508632750.db2.gz BVBZWAFRJDRELJ-SFHVURJKSA-N 1 2 369.852 2.842 20 30 FFEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1Cl ZINC000153713062 508632752 /nfs/dbraw/zinc/63/27/52/508632752.db2.gz BVBZWAFRJDRELJ-SFHVURJKSA-N 1 2 369.852 2.842 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc4[nH]cnc43)CC2)cc1 ZINC000158721019 508744519 /nfs/dbraw/zinc/74/45/19/508744519.db2.gz KGJHUDCOUOBQKR-UHFFFAOYSA-N 1 2 359.433 2.783 20 30 FFEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000159469559 508846975 /nfs/dbraw/zinc/84/69/75/508846975.db2.gz ZRNQXNUCPRISKL-KRWDZBQOSA-N 1 2 372.488 2.847 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1c(Cl)cccc1OC(F)F ZINC000154770961 508852374 /nfs/dbraw/zinc/85/23/74/508852374.db2.gz BMWUGCNXQSSKEF-UHFFFAOYSA-N 1 2 373.831 2.989 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(C(F)(F)F)ccc1F ZINC000154780225 508854590 /nfs/dbraw/zinc/85/45/90/508854590.db2.gz YXQPZSMDCKAMAW-UHFFFAOYSA-N 1 2 359.367 2.892 20 30 FFEDLO Cc1cc(CN(CCC#N)CC[NH+]2CCOCC2)cc(C)c1OC(F)F ZINC000154778429 508854717 /nfs/dbraw/zinc/85/47/17/508854717.db2.gz MDFKGFHADUEUMY-UHFFFAOYSA-N 1 2 367.440 2.953 20 30 FFEDLO COCc1ccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2cccc(C#N)c2)o1 ZINC000131061734 508881987 /nfs/dbraw/zinc/88/19/87/508881987.db2.gz ATASDZWCVKTCLH-GOSISDBHSA-N 1 2 374.462 2.908 20 30 FFEDLO COCc1ccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2cccc(C#N)c2)o1 ZINC000131061734 508881990 /nfs/dbraw/zinc/88/19/90/508881990.db2.gz ATASDZWCVKTCLH-GOSISDBHSA-N 1 2 374.462 2.908 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)SCC[NH+]2CCOCC2)cc1 ZINC000159827806 508896851 /nfs/dbraw/zinc/89/68/51/508896851.db2.gz BPOPIUYYTNXWIC-QGZVFWFLSA-N 1 2 361.511 2.696 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H](CO)C2)c1C#N ZINC000120125319 508933845 /nfs/dbraw/zinc/93/38/45/508933845.db2.gz WODOCHOITABQFX-MRXNPFEDSA-N 1 2 358.486 2.735 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@@H](CO)C2)c1C#N ZINC000120125319 508933849 /nfs/dbraw/zinc/93/38/49/508933849.db2.gz WODOCHOITABQFX-MRXNPFEDSA-N 1 2 358.486 2.735 20 30 FFEDLO COc1cccc([C@@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)cc3)CCO2)c1 ZINC000120315672 508971087 /nfs/dbraw/zinc/97/10/87/508971087.db2.gz YYQRMXQLTABBSX-FQEVSTJZSA-N 1 2 365.433 2.969 20 30 FFEDLO COc1cccc([C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CCO2)c1 ZINC000120315672 508971092 /nfs/dbraw/zinc/97/10/92/508971092.db2.gz YYQRMXQLTABBSX-FQEVSTJZSA-N 1 2 365.433 2.969 20 30 FFEDLO N#Cc1ccc(Oc2ccccc2OC[C@@H](O)C[NH+]2CCOCC2)c(F)c1 ZINC000155366122 508986769 /nfs/dbraw/zinc/98/67/69/508986769.db2.gz QAOLWOILJMMQTP-INIZCTEOSA-N 1 2 372.396 2.562 20 30 FFEDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000151260247 508988233 /nfs/dbraw/zinc/98/82/33/508988233.db2.gz OXZBLUFTFMNJIU-DOMZBBRYSA-N 1 2 364.858 2.680 20 30 FFEDLO CC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@H](C)CS(C)(=O)=O ZINC000151303584 508995628 /nfs/dbraw/zinc/99/56/28/508995628.db2.gz HWLDBACXUHRULH-CYBMUJFWSA-N 1 2 363.401 2.692 20 30 FFEDLO CC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@H](C)CS(C)(=O)=O ZINC000151303584 508995630 /nfs/dbraw/zinc/99/56/30/508995630.db2.gz HWLDBACXUHRULH-CYBMUJFWSA-N 1 2 363.401 2.692 20 30 FFEDLO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1cccnc1 ZINC000132436390 509031248 /nfs/dbraw/zinc/03/12/48/509031248.db2.gz IHDJRBCWYYBUNT-UHFFFAOYSA-N 1 2 361.367 2.700 20 30 FFEDLO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1cccnc1 ZINC000132436390 509031253 /nfs/dbraw/zinc/03/12/53/509031253.db2.gz IHDJRBCWYYBUNT-UHFFFAOYSA-N 1 2 361.367 2.700 20 30 FFEDLO COc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c(Cl)c1 ZINC000155667181 509048820 /nfs/dbraw/zinc/04/88/20/509048820.db2.gz LWLDERWLPVHDJV-CYBMUJFWSA-N 1 2 357.845 2.721 20 30 FFEDLO COc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c(Cl)c1 ZINC000155667181 509048822 /nfs/dbraw/zinc/04/88/22/509048822.db2.gz LWLDERWLPVHDJV-CYBMUJFWSA-N 1 2 357.845 2.721 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1cccc(Br)c1 ZINC000151904112 509107576 /nfs/dbraw/zinc/10/75/76/509107576.db2.gz VAQYLUJWHXXUIX-SWLSCSKDSA-N 1 2 359.227 2.589 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)CNc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133232329 509135404 /nfs/dbraw/zinc/13/54/04/509135404.db2.gz GATSKEJYOYTABM-QUCCMNQESA-N 1 2 370.403 2.810 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)CNc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133232329 509135407 /nfs/dbraw/zinc/13/54/07/509135407.db2.gz GATSKEJYOYTABM-QUCCMNQESA-N 1 2 370.403 2.810 20 30 FFEDLO Cc1oc(NC(=O)C[NH+]2CCC(O)(c3ccccc3)CC2)c(C#N)c1C ZINC000185496556 509204980 /nfs/dbraw/zinc/20/49/80/509204980.db2.gz IYXHKBOKJGLTLB-UHFFFAOYSA-N 1 2 353.422 2.690 20 30 FFEDLO CC#CC[NH+]1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000172744004 509207318 /nfs/dbraw/zinc/20/73/18/509207318.db2.gz SMLPKBSLPFXBIU-UHFFFAOYSA-N 1 2 364.371 2.896 20 30 FFEDLO COc1ccc(F)cc1CN1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000195594235 509209481 /nfs/dbraw/zinc/20/94/81/509209481.db2.gz YUKPXEOLFMXAEC-UHFFFAOYSA-N 1 2 369.440 2.903 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000263898119 509215413 /nfs/dbraw/zinc/21/54/13/509215413.db2.gz YCZZNMXSMNVSIQ-CQSZACIVSA-N 1 2 357.454 2.939 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(O)(c3ccccc3)CC2)C1=O ZINC000185526615 509222991 /nfs/dbraw/zinc/22/29/91/509222991.db2.gz KOWUPVYDLLOZFQ-QGZVFWFLSA-N 1 2 367.474 2.709 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)CNc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000248124977 509239394 /nfs/dbraw/zinc/23/93/94/509239394.db2.gz LKVVLSPTSFLOBK-LJQANCHMSA-N 1 2 363.396 2.749 20 30 FFEDLO C=CCN(CCOC)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000188820503 509279268 /nfs/dbraw/zinc/27/92/68/509279268.db2.gz PJWVKNFEDHLPRC-HNNXBMFYSA-N 1 2 367.440 2.773 20 30 FFEDLO C=CCN(CCOC)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000188820503 509279271 /nfs/dbraw/zinc/27/92/71/509279271.db2.gz PJWVKNFEDHLPRC-HNNXBMFYSA-N 1 2 367.440 2.773 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc(C(F)(F)F)c1F ZINC000176037515 509287504 /nfs/dbraw/zinc/28/75/04/509287504.db2.gz LYPMRSXHUAODMR-UHFFFAOYSA-N 1 2 373.350 2.533 20 30 FFEDLO COc1ccc(C[NH+]2CCN(C(=O)NC3CCCCC3)CC2)cc1C#N ZINC000179234372 509332051 /nfs/dbraw/zinc/33/20/51/509332051.db2.gz MFGPUYQEIYQTND-UHFFFAOYSA-N 1 2 356.470 2.727 20 30 FFEDLO CCN(CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C[C@H](C)C#N ZINC000179276478 509350617 /nfs/dbraw/zinc/35/06/17/509350617.db2.gz GCJVZMNLMABVMX-OAHLLOKOSA-N 1 2 363.531 2.795 20 30 FFEDLO CCc1ccc([C@H]2C[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)CCO2)cc1 ZINC000248711861 509447965 /nfs/dbraw/zinc/44/79/65/509447965.db2.gz IYFHGTVLUVSWKN-IFMALSPDSA-N 1 2 366.461 2.934 20 30 FFEDLO CCc1ccc([C@H]2C[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)CCO2)cc1 ZINC000248711861 509447972 /nfs/dbraw/zinc/44/79/72/509447972.db2.gz IYFHGTVLUVSWKN-IFMALSPDSA-N 1 2 366.461 2.934 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000173220010 509463545 /nfs/dbraw/zinc/46/35/45/509463545.db2.gz HJINMVKKBRMDON-BDAKNGLRSA-N 1 2 364.393 2.603 20 30 FFEDLO NC(=[NH+]OCCOCC(F)F)c1cccc(OCc2cccnc2)c1 ZINC000189260776 509489050 /nfs/dbraw/zinc/48/90/50/509489050.db2.gz PSZZOAVVFGYERQ-UHFFFAOYSA-N 1 2 351.353 2.579 20 30 FFEDLO Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)n1 ZINC000192561303 509554298 /nfs/dbraw/zinc/55/42/98/509554298.db2.gz RITRPXDEEODWQD-OAHLLOKOSA-N 1 2 374.448 2.794 20 30 FFEDLO C=C1CC[NH+](CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000264517786 509576103 /nfs/dbraw/zinc/57/61/03/509576103.db2.gz ZLBHPOCABNCNLF-UHFFFAOYSA-N 1 2 369.387 2.754 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000165830395 509585150 /nfs/dbraw/zinc/58/51/50/509585150.db2.gz AVENOUONCOYBSM-LJQANCHMSA-N 1 2 362.905 2.512 20 30 FFEDLO C[C@@H](N1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1)C(F)(F)F ZINC000189509387 509610811 /nfs/dbraw/zinc/61/08/11/509610811.db2.gz OKDQXLPFAMFQFW-SECBINFHSA-N 1 2 358.273 2.769 20 30 FFEDLO Cc1oc(NC(=O)C[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)c(C#N)c1C ZINC000179823127 509638211 /nfs/dbraw/zinc/63/82/11/509638211.db2.gz FQQHSRMVBZCWRY-HNNXBMFYSA-N 1 2 357.414 2.954 20 30 FFEDLO COCC[N@H+](Cc1cccnc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192802604 509651090 /nfs/dbraw/zinc/65/10/90/509651090.db2.gz WYSCZWPOAVEEDM-HXUWFJFHSA-N 1 2 364.449 2.597 20 30 FFEDLO COCC[N@@H+](Cc1cccnc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192802604 509651096 /nfs/dbraw/zinc/65/10/96/509651096.db2.gz WYSCZWPOAVEEDM-HXUWFJFHSA-N 1 2 364.449 2.597 20 30 FFEDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000189598279 509655879 /nfs/dbraw/zinc/65/58/79/509655879.db2.gz CWQHAPIJETWOIG-WOJBJXKFSA-N 1 2 350.418 2.724 20 30 FFEDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000189598279 509655886 /nfs/dbraw/zinc/65/58/86/509655886.db2.gz CWQHAPIJETWOIG-WOJBJXKFSA-N 1 2 350.418 2.724 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCc2c[nH+]cn2C)cc1 ZINC000192870277 509678473 /nfs/dbraw/zinc/67/84/73/509678473.db2.gz IFAZBSXGSLVHHL-UHFFFAOYSA-N 1 2 352.438 2.806 20 30 FFEDLO COc1cc(OC)cc(N2CC[C@H]([N@H+](C)Cc3ccc(C#N)s3)C2=O)c1 ZINC000180162657 509786933 /nfs/dbraw/zinc/78/69/33/509786933.db2.gz HTEBKBKCYYAFNA-SFHVURJKSA-N 1 2 371.462 2.874 20 30 FFEDLO COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)Cc3ccc(C#N)s3)C2=O)c1 ZINC000180162657 509786940 /nfs/dbraw/zinc/78/69/40/509786940.db2.gz HTEBKBKCYYAFNA-SFHVURJKSA-N 1 2 371.462 2.874 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000193149931 509798201 /nfs/dbraw/zinc/79/82/01/509798201.db2.gz WMLRQXYMXBPMER-SFHVURJKSA-N 1 2 363.889 2.678 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000252187519 509833344 /nfs/dbraw/zinc/83/33/44/509833344.db2.gz RBVJTXKIFNUFOI-GJYPPUQNSA-N 1 2 372.488 2.903 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c(C#N)c1C ZINC000186667234 509838849 /nfs/dbraw/zinc/83/88/49/509838849.db2.gz JDTKOGSHPMQRQK-FQEVSTJZSA-N 1 2 351.406 2.838 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c(C#N)c1C ZINC000186667234 509838854 /nfs/dbraw/zinc/83/88/54/509838854.db2.gz JDTKOGSHPMQRQK-FQEVSTJZSA-N 1 2 351.406 2.838 20 30 FFEDLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000193349206 509877402 /nfs/dbraw/zinc/87/74/02/509877402.db2.gz DXIRWLBREYFDSF-NRFANRHFSA-N 1 2 374.444 2.680 20 30 FFEDLO CC(=O)Nc1cccc2c1CC[N@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000193349206 509877403 /nfs/dbraw/zinc/87/74/03/509877403.db2.gz DXIRWLBREYFDSF-NRFANRHFSA-N 1 2 374.444 2.680 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)Cc2cccc(C#N)c2)c1C ZINC000170990334 509878319 /nfs/dbraw/zinc/87/83/19/509878319.db2.gz INLNEFYLJZAMBX-UHFFFAOYSA-N 1 2 359.451 2.541 20 30 FFEDLO N#Cc1ccc(NCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000253436845 509882051 /nfs/dbraw/zinc/88/20/51/509882051.db2.gz JJPACKCFABRELP-QPJJXVBHSA-N 1 2 360.461 2.828 20 30 FFEDLO N#Cc1ccccc1/C=C/C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171022364 509894559 /nfs/dbraw/zinc/89/45/59/509894559.db2.gz KCPMPWYHTPVOKY-VOTSOKGWSA-N 1 2 352.463 2.762 20 30 FFEDLO N#Cc1ccccc1/C=C/C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171022364 509894567 /nfs/dbraw/zinc/89/45/67/509894567.db2.gz KCPMPWYHTPVOKY-VOTSOKGWSA-N 1 2 352.463 2.762 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1nc2ccccc2n1C ZINC000177195319 509930992 /nfs/dbraw/zinc/93/09/92/509930992.db2.gz VRFGRNJPMFFUOJ-OAHLLOKOSA-N 1 2 353.470 2.736 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1nc2ccccc2n1C ZINC000177195319 509931000 /nfs/dbraw/zinc/93/10/00/509931000.db2.gz VRFGRNJPMFFUOJ-OAHLLOKOSA-N 1 2 353.470 2.736 20 30 FFEDLO O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000183757285 509960571 /nfs/dbraw/zinc/96/05/71/509960571.db2.gz FUJQFNAFYPLFLL-LJQANCHMSA-N 1 2 364.486 2.504 20 30 FFEDLO O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000183757285 509960575 /nfs/dbraw/zinc/96/05/75/509960575.db2.gz FUJQFNAFYPLFLL-LJQANCHMSA-N 1 2 364.486 2.504 20 30 FFEDLO Cc1nn(C)c2ncc(C[NH+]3CCN(c4cccc(F)c4C#N)CC3)cc12 ZINC000261372104 509986989 /nfs/dbraw/zinc/98/69/89/509986989.db2.gz CTCJYQSTQQWQPJ-UHFFFAOYSA-N 1 2 364.428 2.610 20 30 FFEDLO C=CCC1(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCC1 ZINC000190433624 510129693 /nfs/dbraw/zinc/12/96/93/510129693.db2.gz FKMXTXWBPZNLAK-UHFFFAOYSA-N 1 2 358.482 2.760 20 30 FFEDLO C[C@H]1CCN(C(=O)NCc2ccc(OCC#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000177815983 510268551 /nfs/dbraw/zinc/26/85/51/510268551.db2.gz HDFJKCQNUUNMSV-MAUKXSAKSA-N 1 2 353.426 2.578 20 30 FFEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000177993065 510363712 /nfs/dbraw/zinc/36/37/12/510363712.db2.gz XNXUWUUWHVYTFR-IBGZPJMESA-N 1 2 369.852 2.703 20 30 FFEDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000266038483 510375121 /nfs/dbraw/zinc/37/51/21/510375121.db2.gz ORIYHPCMBLQYST-UHFFFAOYSA-N 1 2 364.405 2.733 20 30 FFEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000184561800 510389381 /nfs/dbraw/zinc/38/93/81/510389381.db2.gz FARYNVDTGATDJE-UHFFFAOYSA-N 1 2 365.437 2.702 20 30 FFEDLO N#Cc1ccc2[nH+]cc(/C=C3/COc4c(cc(F)cc4[N+](=O)[O-])C3=O)n2c1 ZINC000181480845 510432658 /nfs/dbraw/zinc/43/26/58/510432658.db2.gz QUQULGPORHXTSS-JYOAFUTRSA-N 1 2 364.292 2.912 20 30 FFEDLO CCOc1ccccc1NC(=O)[C@@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000266193713 510455393 /nfs/dbraw/zinc/45/53/93/510455393.db2.gz IZSHZJTUEWTNOZ-ZIAGYGMSSA-N 1 2 351.447 2.762 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000187918172 510500615 /nfs/dbraw/zinc/50/06/15/510500615.db2.gz FFIPGOYMBWMXOO-OAQYLSRUSA-N 1 2 373.497 2.518 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)C2(C#N)CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246516845 510533682 /nfs/dbraw/zinc/53/36/82/510533682.db2.gz KQDVMRNAXFSRIB-JKSUJKDBSA-N 1 2 365.836 2.661 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)C2(C#N)CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246516845 510533687 /nfs/dbraw/zinc/53/36/87/510533687.db2.gz KQDVMRNAXFSRIB-JKSUJKDBSA-N 1 2 365.836 2.661 20 30 FFEDLO Cn1cc(C[NH+]2CCN(CCOc3ccccc3Cl)CC2)cc1C#N ZINC000191204208 510547313 /nfs/dbraw/zinc/54/73/13/510547313.db2.gz LJYBSYZLGHHHCY-UHFFFAOYSA-N 1 2 358.873 2.747 20 30 FFEDLO Cn1cc(CN2CC[NH+](CCOc3ccccc3Cl)CC2)cc1C#N ZINC000191204208 510547322 /nfs/dbraw/zinc/54/73/22/510547322.db2.gz LJYBSYZLGHHHCY-UHFFFAOYSA-N 1 2 358.873 2.747 20 30 FFEDLO CC(C)Cn1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000266372869 510547437 /nfs/dbraw/zinc/54/74/37/510547437.db2.gz JHYGQULYTYZPJN-UHFFFAOYSA-N 1 2 366.469 2.760 20 30 FFEDLO C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000172149291 510570028 /nfs/dbraw/zinc/57/00/28/510570028.db2.gz SASLUEYYMMOYSO-AWEZNQCLSA-N 1 2 352.438 2.906 20 30 FFEDLO C=CCn1c(SCC[N@@H+]2CCO[C@H](C)C2)nnc1-c1ccc(OC)cc1 ZINC000188249414 510668416 /nfs/dbraw/zinc/66/84/16/510668416.db2.gz GGEDTXTUXUUSAG-OAHLLOKOSA-N 1 2 374.510 2.953 20 30 FFEDLO C=CCn1c(SCC[N@H+]2CCO[C@H](C)C2)nnc1-c1ccc(OC)cc1 ZINC000188249414 510668420 /nfs/dbraw/zinc/66/84/20/510668420.db2.gz GGEDTXTUXUUSAG-OAHLLOKOSA-N 1 2 374.510 2.953 20 30 FFEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC000195197813 510712653 /nfs/dbraw/zinc/71/26/53/510712653.db2.gz HPELARJKGXNLTM-UHFFFAOYSA-N 1 2 368.481 2.658 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000246910315 510742042 /nfs/dbraw/zinc/74/20/42/510742042.db2.gz CJLJUAIGUBEMJJ-NVXWUHKLSA-N 1 2 359.445 2.729 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000246910315 510742045 /nfs/dbraw/zinc/74/20/45/510742045.db2.gz CJLJUAIGUBEMJJ-NVXWUHKLSA-N 1 2 359.445 2.729 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000172671297 510841056 /nfs/dbraw/zinc/84/10/56/510841056.db2.gz UQWPQZRGGBZUNR-QGZVFWFLSA-N 1 2 373.478 2.965 20 30 FFEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@H](C)O1 ZINC000247364040 510858557 /nfs/dbraw/zinc/85/85/57/510858557.db2.gz AXRBYPVDICBZCF-GVDBMIGSSA-N 1 2 359.470 2.830 20 30 FFEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@H](C)O1 ZINC000247364040 510858558 /nfs/dbraw/zinc/85/85/58/510858558.db2.gz AXRBYPVDICBZCF-GVDBMIGSSA-N 1 2 359.470 2.830 20 30 FFEDLO COc1ccc2oc([C@H](C)NC(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)c(C)c2c1 ZINC000329919263 510877302 /nfs/dbraw/zinc/87/73/02/510877302.db2.gz RNYOHWKWNMQTHW-OWQGQXMQSA-N 1 2 373.453 2.740 20 30 FFEDLO COc1ccc2oc([C@H](C)NC(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)c(C)c2c1 ZINC000329919263 510877307 /nfs/dbraw/zinc/87/73/07/510877307.db2.gz RNYOHWKWNMQTHW-OWQGQXMQSA-N 1 2 373.453 2.740 20 30 FFEDLO C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)[C@H](C)C1 ZINC000329922749 510878152 /nfs/dbraw/zinc/87/81/52/510878152.db2.gz UBVNGMSQHZNXEZ-SSGTUYFUSA-N 1 2 365.497 2.661 20 30 FFEDLO C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)[C@H](C)C1 ZINC000329922749 510878153 /nfs/dbraw/zinc/87/81/53/510878153.db2.gz UBVNGMSQHZNXEZ-SSGTUYFUSA-N 1 2 365.497 2.661 20 30 FFEDLO CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000329976320 510890688 /nfs/dbraw/zinc/89/06/88/510890688.db2.gz FIGOXEIENFZSCX-DZKIICNBSA-N 1 2 353.463 2.628 20 30 FFEDLO CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000329976320 510890695 /nfs/dbraw/zinc/89/06/95/510890695.db2.gz FIGOXEIENFZSCX-DZKIICNBSA-N 1 2 353.463 2.628 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000329981239 510892359 /nfs/dbraw/zinc/89/23/59/510892359.db2.gz MWODSSMASXXWCH-ILXVDBEPSA-N 1 2 351.422 2.587 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000329981239 510892362 /nfs/dbraw/zinc/89/23/62/510892362.db2.gz MWODSSMASXXWCH-ILXVDBEPSA-N 1 2 351.422 2.587 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)NCCc2ccc(F)cc2)C[C@]2(CCCOC2)O1 ZINC000330099016 510915064 /nfs/dbraw/zinc/91/50/64/510915064.db2.gz CPMYGJXLGQKGTI-BEFAXECRSA-N 1 2 350.434 2.595 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)NCCc2ccc(F)cc2)C[C@]2(CCCOC2)O1 ZINC000330099016 510915068 /nfs/dbraw/zinc/91/50/68/510915068.db2.gz CPMYGJXLGQKGTI-BEFAXECRSA-N 1 2 350.434 2.595 20 30 FFEDLO O=C(C[N@@H+]1CCO[C@@H](C2CC2)C1)NCC1(c2ccccc2)CCOCC1 ZINC000330111070 510918268 /nfs/dbraw/zinc/91/82/68/510918268.db2.gz AURSXUSRSVPKAD-LJQANCHMSA-N 1 2 358.482 2.802 20 30 FFEDLO O=C(C[N@H+]1CCO[C@@H](C2CC2)C1)NCC1(c2ccccc2)CCOCC1 ZINC000330111070 510918275 /nfs/dbraw/zinc/91/82/75/510918275.db2.gz AURSXUSRSVPKAD-LJQANCHMSA-N 1 2 358.482 2.802 20 30 FFEDLO O=C(C[N@@H+]1CCS[C@H]2COCC[C@H]21)Nc1nc2c(s1)CCCC2 ZINC000330174911 510929747 /nfs/dbraw/zinc/92/97/47/510929747.db2.gz IRAUASZUAYWNHC-OCCSQVGLSA-N 1 2 353.513 2.816 20 30 FFEDLO O=C(C[N@H+]1CCS[C@H]2COCC[C@H]21)Nc1nc2c(s1)CCCC2 ZINC000330174911 510929749 /nfs/dbraw/zinc/92/97/49/510929749.db2.gz IRAUASZUAYWNHC-OCCSQVGLSA-N 1 2 353.513 2.816 20 30 FFEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000330183328 510932810 /nfs/dbraw/zinc/93/28/10/510932810.db2.gz HVLFJMOPXWLZCQ-HNNXBMFYSA-N 1 2 362.437 2.778 20 30 FFEDLO C=CCCN(C)C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000276355326 510934936 /nfs/dbraw/zinc/93/49/36/510934936.db2.gz DZTHRXYOIUUPMO-UHFFFAOYSA-N 1 2 350.422 2.575 20 30 FFEDLO Cc1cccc(N2CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC2)c1C ZINC000330197855 510935492 /nfs/dbraw/zinc/93/54/92/510935492.db2.gz SJYARBNTDCBFQP-QGZVFWFLSA-N 1 2 353.470 2.551 20 30 FFEDLO Cc1cccc(N2CCN(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)CC2)c1C ZINC000330197855 510935494 /nfs/dbraw/zinc/93/54/94/510935494.db2.gz SJYARBNTDCBFQP-QGZVFWFLSA-N 1 2 353.470 2.551 20 30 FFEDLO C#CCC1(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CCCCC1 ZINC000276451100 510938550 /nfs/dbraw/zinc/93/85/50/510938550.db2.gz MXVLDMHVTCJXAK-QGZVFWFLSA-N 1 2 355.482 2.897 20 30 FFEDLO C=CC[C@]1(C(=O)N(C)Cc2[nH+]ccn2C)CCCN1C(=O)OC(C)(C)C ZINC000276563737 510943177 /nfs/dbraw/zinc/94/31/77/510943177.db2.gz BUYKGHILAIFANM-LJQANCHMSA-N 1 2 362.474 2.724 20 30 FFEDLO Cc1nsc(NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)c1C#N ZINC000297449381 510950192 /nfs/dbraw/zinc/95/01/92/510950192.db2.gz OXMVBJUXAXCVOP-MRXNPFEDSA-N 1 2 371.466 2.518 20 30 FFEDLO C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330327564 510964572 /nfs/dbraw/zinc/96/45/72/510964572.db2.gz LAFXBARPYLUTJC-IVSAIRAKSA-N 1 2 351.447 2.571 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@@](=O)C1 ZINC000277531310 510965050 /nfs/dbraw/zinc/96/50/50/510965050.db2.gz PVTMWIZHLJXKCG-PUAOIOHZSA-N 1 2 356.495 2.664 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@@](=O)C1 ZINC000277531310 510965053 /nfs/dbraw/zinc/96/50/53/510965053.db2.gz PVTMWIZHLJXKCG-PUAOIOHZSA-N 1 2 356.495 2.664 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](CC)CC(=O)Nc1ccccc1OC ZINC000270739265 510969280 /nfs/dbraw/zinc/96/92/80/510969280.db2.gz XELOEFDBEJTAOI-INIZCTEOSA-N 1 2 359.470 2.545 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](CC)CC(=O)Nc1ccccc1OC ZINC000270739265 510969285 /nfs/dbraw/zinc/96/92/85/510969285.db2.gz XELOEFDBEJTAOI-INIZCTEOSA-N 1 2 359.470 2.545 20 30 FFEDLO COc1cc(OC)c(NC(=O)C[NH+]2CCC(C)(C#N)CC2)cc1Cl ZINC000330770725 511016080 /nfs/dbraw/zinc/01/60/80/511016080.db2.gz BMVNOTWUEFTFIS-UHFFFAOYSA-N 1 2 351.834 2.921 20 30 FFEDLO CCOC(=O)Nc1ccc(NC(=O)N2CCn3cc(C)[nH+]c3C2)cc1C#N ZINC000364686140 511019437 /nfs/dbraw/zinc/01/94/37/511019437.db2.gz KBYIPYHASLNHBN-UHFFFAOYSA-N 1 2 368.397 2.679 20 30 FFEDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000331054532 511039844 /nfs/dbraw/zinc/03/98/44/511039844.db2.gz KDBVPNIZYSLOIN-UHFFFAOYSA-N 1 2 350.419 2.648 20 30 FFEDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000331054532 511039850 /nfs/dbraw/zinc/03/98/50/511039850.db2.gz KDBVPNIZYSLOIN-UHFFFAOYSA-N 1 2 350.419 2.648 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000287238073 511044923 /nfs/dbraw/zinc/04/49/23/511044923.db2.gz WUDZABDJSUTXLL-NZSAHSFTSA-N 1 2 356.470 2.536 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2sc(-c3c(C)noc3C)nc2C)CC1 ZINC000294635732 511127496 /nfs/dbraw/zinc/12/74/96/511127496.db2.gz SSRFLZDSHXGCHS-UHFFFAOYSA-N 1 2 358.467 2.504 20 30 FFEDLO CO/N=C(/C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccco1 ZINC000279588912 511137953 /nfs/dbraw/zinc/13/79/53/511137953.db2.gz UFAHMNFSIXRFQQ-HEHNFIMWSA-N 1 2 356.426 2.569 20 30 FFEDLO N#Cc1cc(NC(=O)NCCCn2cc[nH+]c2)ccc1OC(F)(F)F ZINC000282909361 511157947 /nfs/dbraw/zinc/15/79/47/511157947.db2.gz CUZQMLNFJVFIHI-UHFFFAOYSA-N 1 2 353.304 2.865 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cc3sc(N4CCCC4)nc3s2)CC1 ZINC000279828621 511231300 /nfs/dbraw/zinc/23/13/00/511231300.db2.gz PYDFJSWDFYNEPO-UHFFFAOYSA-N 1 2 374.535 2.739 20 30 FFEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCCCC3CCOCC3)cn2)n1 ZINC000279831266 511233041 /nfs/dbraw/zinc/23/30/41/511233041.db2.gz RAQXSXPALZISCO-UHFFFAOYSA-N 1 2 357.458 2.728 20 30 FFEDLO Cc1cc(N2CCN(C(=O)N[C@H]3CC[C@@H](CC#N)C3)CC2)nc(C(C)C)[nH+]1 ZINC000298353034 511255272 /nfs/dbraw/zinc/25/52/72/511255272.db2.gz HLGUKLCUVDAKFR-IRXDYDNUSA-N 1 2 370.501 2.822 20 30 FFEDLO C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000283171155 511264295 /nfs/dbraw/zinc/26/42/95/511264295.db2.gz FWPUDBOUZWOEOL-OAHLLOKOSA-N 1 2 355.490 2.793 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(Cl)cn3)CC2)cc1 ZINC000271820574 511336993 /nfs/dbraw/zinc/33/69/93/511336993.db2.gz KJZXHEYUBPOLOK-UHFFFAOYSA-N 1 2 369.856 2.634 20 30 FFEDLO CO[C@H](CO[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1)c1ccccc1 ZINC000283373915 511341437 /nfs/dbraw/zinc/34/14/37/511341437.db2.gz MFYNYJJJNDTPSC-GOSISDBHSA-N 1 2 365.437 2.909 20 30 FFEDLO C=CCOc1ccc(CC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1 ZINC000295284773 511348773 /nfs/dbraw/zinc/34/87/73/511348773.db2.gz JDGLULRHWSLEAU-UHFFFAOYSA-N 1 2 367.449 2.973 20 30 FFEDLO C=CCCCCCN(C)C(=O)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000298661650 511366472 /nfs/dbraw/zinc/36/64/72/511366472.db2.gz LWJBKNCYLSGRRU-UHFFFAOYSA-N 1 2 361.486 2.870 20 30 FFEDLO Cc1nsc(NC(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1C#N ZINC000333905781 511387040 /nfs/dbraw/zinc/38/70/40/511387040.db2.gz UWOFDAGVILYVSV-LLVKDONJSA-N 1 2 358.471 2.954 20 30 FFEDLO Cc1cc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)nn1CCC#N ZINC000272062673 511418806 /nfs/dbraw/zinc/41/88/06/511418806.db2.gz JDTKBSOZHUICGC-UHFFFAOYSA-N 1 2 363.425 2.672 20 30 FFEDLO Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000299054107 511498691 /nfs/dbraw/zinc/49/86/91/511498691.db2.gz LYRSOKLHWUSZAT-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO CCc1ccc([C@@H](COC)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000299138893 511528767 /nfs/dbraw/zinc/52/87/67/511528767.db2.gz WHUAWGODEVQORK-QZTJIDSGSA-N 1 2 353.422 2.796 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000296026354 511593644 /nfs/dbraw/zinc/59/36/44/511593644.db2.gz PPZHOJBAELROCQ-KRWDZBQOSA-N 1 2 368.485 2.817 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000280923268 511654786 /nfs/dbraw/zinc/65/47/86/511654786.db2.gz VGQMGYYLFWEWCI-FQEVSTJZSA-N 1 2 373.460 2.942 20 30 FFEDLO C=CCn1c(Cc2ccccc2)nnc1SCC[N@@H+]1CCO[C@H](C)C1 ZINC000284311144 511679545 /nfs/dbraw/zinc/67/95/45/511679545.db2.gz SJKNSSNLBHDSMO-MRXNPFEDSA-N 1 2 358.511 2.868 20 30 FFEDLO C=CCn1c(Cc2ccccc2)nnc1SCC[N@H+]1CCO[C@H](C)C1 ZINC000284311144 511679550 /nfs/dbraw/zinc/67/95/50/511679550.db2.gz SJKNSSNLBHDSMO-MRXNPFEDSA-N 1 2 358.511 2.868 20 30 FFEDLO N#Cc1cccc(C[NH2+]Cc2ncc(I)s2)c1 ZINC000310407123 511772297 /nfs/dbraw/zinc/77/22/97/511772297.db2.gz KVEBHVJTMWNTES-UHFFFAOYSA-N 1 2 355.204 2.909 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)C1=O ZINC000281245639 511773544 /nfs/dbraw/zinc/77/35/44/511773544.db2.gz GLCPPANCXPJILC-NHYWBVRUSA-N 1 2 353.825 2.525 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)C1=O ZINC000281245639 511773545 /nfs/dbraw/zinc/77/35/45/511773545.db2.gz GLCPPANCXPJILC-NHYWBVRUSA-N 1 2 353.825 2.525 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(SC(F)F)cc2)C1=O ZINC000281249853 511775756 /nfs/dbraw/zinc/77/57/56/511775756.db2.gz GTZSSEJTKPNISL-CQSZACIVSA-N 1 2 369.437 2.659 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(SC(F)F)cc2)C1=O ZINC000281249853 511775760 /nfs/dbraw/zinc/77/57/60/511775760.db2.gz GTZSSEJTKPNISL-CQSZACIVSA-N 1 2 369.437 2.659 20 30 FFEDLO COc1ccc(CN2CCC[N@H+](Cc3ccc(C#N)s3)CC2=O)cc1 ZINC000274405466 511824076 /nfs/dbraw/zinc/82/40/76/511824076.db2.gz LHFKLEJBGZTNGR-UHFFFAOYSA-N 1 2 355.463 2.863 20 30 FFEDLO COc1ccc(CN2CCC[N@@H+](Cc3ccc(C#N)s3)CC2=O)cc1 ZINC000274405466 511824080 /nfs/dbraw/zinc/82/40/80/511824080.db2.gz LHFKLEJBGZTNGR-UHFFFAOYSA-N 1 2 355.463 2.863 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)C1=O ZINC000281435040 511845793 /nfs/dbraw/zinc/84/57/93/511845793.db2.gz SUYYRSSCRRBORW-WFASDCNBSA-N 1 2 369.387 2.751 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)C1=O ZINC000281435040 511845796 /nfs/dbraw/zinc/84/57/96/511845796.db2.gz SUYYRSSCRRBORW-WFASDCNBSA-N 1 2 369.387 2.751 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000284747868 511850429 /nfs/dbraw/zinc/85/04/29/511850429.db2.gz JFLCFXPRECJFCX-UAGQMJEPSA-N 1 2 365.271 2.683 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000284747868 511850435 /nfs/dbraw/zinc/85/04/35/511850435.db2.gz JFLCFXPRECJFCX-UAGQMJEPSA-N 1 2 365.271 2.683 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)c2nc3sc(C)c(C)c3c(N)n2)C1=O ZINC000281453638 511853920 /nfs/dbraw/zinc/85/39/20/511853920.db2.gz UUGAKBIRQVFNJH-DGCLKSJQSA-N 1 2 359.499 2.670 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2nc3sc(C)c(C)c3c(N)n2)C1=O ZINC000281453638 511853923 /nfs/dbraw/zinc/85/39/23/511853923.db2.gz UUGAKBIRQVFNJH-DGCLKSJQSA-N 1 2 359.499 2.670 20 30 FFEDLO O=C(C[N@@H+]1CCCN(C(=O)C2CC2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000328618853 511895253 /nfs/dbraw/zinc/89/52/53/511895253.db2.gz VLYZEYKXFPPHAC-LJQANCHMSA-N 1 2 355.482 2.965 20 30 FFEDLO O=C(C[N@H+]1CCCN(C(=O)C2CC2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000328618853 511895258 /nfs/dbraw/zinc/89/52/58/511895258.db2.gz VLYZEYKXFPPHAC-LJQANCHMSA-N 1 2 355.482 2.965 20 30 FFEDLO Cc1noc(C2CCC(NC(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC2)n1 ZINC000328805016 511934022 /nfs/dbraw/zinc/93/40/22/511934022.db2.gz NADLSHPIEZZVSK-GPANFISMSA-N 1 2 370.457 2.582 20 30 FFEDLO CN1CC[N@H+](C)[C@@H](CNc2c(C#N)cnc3c(Br)cccc32)C1 ZINC000281695507 511934689 /nfs/dbraw/zinc/93/46/89/511934689.db2.gz SFBOXHYJZMEJJK-ZDUSSCGKSA-N 1 2 374.286 2.527 20 30 FFEDLO CN1CC[N@@H+](C)[C@@H](CNc2c(C#N)cnc3c(Br)cccc32)C1 ZINC000281695507 511934697 /nfs/dbraw/zinc/93/46/97/511934697.db2.gz SFBOXHYJZMEJJK-ZDUSSCGKSA-N 1 2 374.286 2.527 20 30 FFEDLO O=C(Nc1cccc(C(F)(F)F)c1)N1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000328895094 511947815 /nfs/dbraw/zinc/94/78/15/511947815.db2.gz WBPSXTHUDIHMQN-CYBMUJFWSA-N 1 2 356.348 2.597 20 30 FFEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Nc2scnc2C2CC2)CC1 ZINC000328905595 511949635 /nfs/dbraw/zinc/94/96/35/511949635.db2.gz AXLCSZGHDMBERK-LLVKDONJSA-N 1 2 363.487 2.691 20 30 FFEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)c2ccc3c(c2)CCC=C3)CC1 ZINC000328920571 511950270 /nfs/dbraw/zinc/95/02/70/511950270.db2.gz SYXMEFVYIKSLNY-HNNXBMFYSA-N 1 2 353.466 2.911 20 30 FFEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CCOc2ccccc21 ZINC000328930711 511952762 /nfs/dbraw/zinc/95/27/62/511952762.db2.gz ZFULTUJJMDOLAC-VQIMIIECSA-N 1 2 362.495 2.717 20 30 FFEDLO CCn1ccnc1[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCOCC1 ZINC000329063253 511975584 /nfs/dbraw/zinc/97/55/84/511975584.db2.gz OCQJTZGDLZHIKA-DOTOQJQBSA-N 1 2 357.458 2.786 20 30 FFEDLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@H]1CCc2n[nH]nc2C1 ZINC000329065175 511976383 /nfs/dbraw/zinc/97/63/83/511976383.db2.gz VZYVSUFKRHXUFA-LBPRGKRZSA-N 1 2 359.861 2.578 20 30 FFEDLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@H]1CCc2n[nH]nc2C1 ZINC000329065175 511976390 /nfs/dbraw/zinc/97/63/90/511976390.db2.gz VZYVSUFKRHXUFA-LBPRGKRZSA-N 1 2 359.861 2.578 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](NC(=O)c1cn(C(C)(C)C)nn1)C1CCOCC1 ZINC000329097080 511982338 /nfs/dbraw/zinc/98/23/38/511982338.db2.gz YJYHTMXRWLCOOD-HNNXBMFYSA-N 1 2 360.462 2.722 20 30 FFEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000329208763 512004706 /nfs/dbraw/zinc/00/47/06/512004706.db2.gz YUENAFRDXIKQGJ-QWHCGFSZSA-N 1 2 352.504 2.781 20 30 FFEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000329415646 512041858 /nfs/dbraw/zinc/04/18/58/512041858.db2.gz CXFSGDOHTZDYBG-STQMWFEESA-N 1 2 352.504 2.781 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329422803 512043853 /nfs/dbraw/zinc/04/38/53/512043853.db2.gz FDOQFYUVMVFYNG-WHCBVINPSA-N 1 2 369.387 2.674 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329422803 512043855 /nfs/dbraw/zinc/04/38/55/512043855.db2.gz FDOQFYUVMVFYNG-WHCBVINPSA-N 1 2 369.387 2.674 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000282008340 512043920 /nfs/dbraw/zinc/04/39/20/512043920.db2.gz WQDCIIMUXKZBMU-WMZOPIPTSA-N 1 2 352.438 2.871 20 30 FFEDLO COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)c1 ZINC000329426084 512045309 /nfs/dbraw/zinc/04/53/09/512045309.db2.gz GZIWBEAKHAAIMT-GJZGRUSLSA-N 1 2 370.453 2.698 20 30 FFEDLO C[C@@H]1C[C@@H](C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CC(=O)N1 ZINC000329462094 512051765 /nfs/dbraw/zinc/05/17/65/512051765.db2.gz SRZJFHTUMHVOKJ-VXGBXAGGSA-N 1 2 357.414 2.743 20 30 FFEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329465360 512051803 /nfs/dbraw/zinc/05/18/03/512051803.db2.gz VAIFQONWPPSAIF-UONOGXRCSA-N 1 2 367.877 2.650 20 30 FFEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329465360 512051808 /nfs/dbraw/zinc/05/18/08/512051808.db2.gz VAIFQONWPPSAIF-UONOGXRCSA-N 1 2 367.877 2.650 20 30 FFEDLO COc1cccc(N2CC[C@H](CNC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)c1 ZINC000329477566 512054605 /nfs/dbraw/zinc/05/46/05/512054605.db2.gz PWCIJIFWPLSYEA-CVEARBPZSA-N 1 2 354.454 2.937 20 30 FFEDLO O=C(C[N@@H+]1CCOCC2(CC2)C1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000329482239 512056033 /nfs/dbraw/zinc/05/60/33/512056033.db2.gz WBJPMQVBWDTJMX-UHFFFAOYSA-N 1 2 361.833 2.621 20 30 FFEDLO O=C(C[N@H+]1CCOCC2(CC2)C1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000329482239 512056036 /nfs/dbraw/zinc/05/60/36/512056036.db2.gz WBJPMQVBWDTJMX-UHFFFAOYSA-N 1 2 361.833 2.621 20 30 FFEDLO C[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CCC1(F)F ZINC000329547704 512067431 /nfs/dbraw/zinc/06/74/31/512067431.db2.gz BBKAIVAYYSITMQ-OCCSQVGLSA-N 1 2 356.417 2.779 20 30 FFEDLO Cc1nc(N2CCN(CC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc[nH+]1 ZINC000329545848 512067642 /nfs/dbraw/zinc/06/76/42/512067642.db2.gz ZSYQFTHMVIWRFC-UHFFFAOYSA-N 1 2 369.513 2.832 20 30 FFEDLO O=C(C[N@H+]1CCSC[C@@H]1CO)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000329651006 512082048 /nfs/dbraw/zinc/08/20/48/512082048.db2.gz KRMCIIOHXPVJET-AWEZNQCLSA-N 1 2 364.467 2.726 20 30 FFEDLO O=C(C[N@@H+]1CCSC[C@@H]1CO)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000329651006 512082050 /nfs/dbraw/zinc/08/20/50/512082050.db2.gz KRMCIIOHXPVJET-AWEZNQCLSA-N 1 2 364.467 2.726 20 30 FFEDLO O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000329665781 512084141 /nfs/dbraw/zinc/08/41/41/512084141.db2.gz QYIBJULPKBKEKU-HUBLWGQQSA-N 1 2 366.845 2.792 20 30 FFEDLO O=C(C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000329665781 512084143 /nfs/dbraw/zinc/08/41/43/512084143.db2.gz QYIBJULPKBKEKU-HUBLWGQQSA-N 1 2 366.845 2.792 20 30 FFEDLO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000329668790 512084560 /nfs/dbraw/zinc/08/45/60/512084560.db2.gz SDPPROQRMIZJMU-TZIWHRDSSA-N 1 2 372.513 2.921 20 30 FFEDLO O=C(N[C@H]1CCN(c2ncccc2Cl)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329687693 512086995 /nfs/dbraw/zinc/08/69/95/512086995.db2.gz BTQOJNGOQGMZKO-AWEZNQCLSA-N 1 2 374.876 2.830 20 30 FFEDLO O=C(N[C@H]1CCN(c2ncccc2Cl)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329687693 512087000 /nfs/dbraw/zinc/08/70/00/512087000.db2.gz BTQOJNGOQGMZKO-AWEZNQCLSA-N 1 2 374.876 2.830 20 30 FFEDLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)N[C@H]1CCCOC1)CC2 ZINC000329705446 512088367 /nfs/dbraw/zinc/08/83/67/512088367.db2.gz KGYWRPFSWDMITJ-GJZGRUSLSA-N 1 2 364.515 2.522 20 30 FFEDLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)N[C@H]1CCCOC1)CC2 ZINC000329705446 512088370 /nfs/dbraw/zinc/08/83/70/512088370.db2.gz KGYWRPFSWDMITJ-GJZGRUSLSA-N 1 2 364.515 2.522 20 30 FFEDLO Cc1ncc(C[NH+]2CCN(C(=O)NCC[C@@H]3CCO[C@H](C)C3)CC2)s1 ZINC000329765809 512094782 /nfs/dbraw/zinc/09/47/82/512094782.db2.gz XJFGGNDIZJYJJI-GDBMZVCRSA-N 1 2 366.531 2.688 20 30 FFEDLO O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N1CCn2c[nH+]cc2C1 ZINC000329775074 512096318 /nfs/dbraw/zinc/09/63/18/512096318.db2.gz JATVAZZZCRYTEU-UHFFFAOYSA-N 1 2 362.817 2.628 20 30 FFEDLO COc1ccccc1N1CC[C@@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000329790054 512097415 /nfs/dbraw/zinc/09/74/15/512097415.db2.gz CNYQKJHABCKYFI-MRXNPFEDSA-N 1 2 369.469 2.791 20 30 FFEDLO COc1ccccc1N1CC[C@@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000329790054 512097416 /nfs/dbraw/zinc/09/74/16/512097416.db2.gz CNYQKJHABCKYFI-MRXNPFEDSA-N 1 2 369.469 2.791 20 30 FFEDLO O=C(NC1CCN(c2nccs2)CC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329803250 512099414 /nfs/dbraw/zinc/09/94/14/512099414.db2.gz LAYHQUNANWAAKR-MRXNPFEDSA-N 1 2 373.482 2.574 20 30 FFEDLO CC(C)[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CCS1 ZINC000329828069 512102497 /nfs/dbraw/zinc/10/24/97/512102497.db2.gz RRXDPHIJIHOQNF-OAHLLOKOSA-N 1 2 361.467 2.574 20 30 FFEDLO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CCS1 ZINC000329828069 512102499 /nfs/dbraw/zinc/10/24/99/512102499.db2.gz RRXDPHIJIHOQNF-OAHLLOKOSA-N 1 2 361.467 2.574 20 30 FFEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)O1 ZINC000329851917 512104028 /nfs/dbraw/zinc/10/40/28/512104028.db2.gz UFIFXUANOGEQKQ-UOVPBQLFSA-N 1 2 359.470 2.705 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000329897133 512106061 /nfs/dbraw/zinc/10/60/61/512106061.db2.gz CTJJLNACPKCWGN-NCOADZHNSA-N 1 2 365.497 2.662 20 30 FFEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000367586439 512572057 /nfs/dbraw/zinc/57/20/57/512572057.db2.gz PCHBPIQJHICVMO-MAUKXSAKSA-N 1 2 352.400 2.852 20 30 FFEDLO N#Cc1cccc(OCc2cccc(C(=O)N3CCn4c[nH+]cc4C3)c2)c1 ZINC000378114168 512597903 /nfs/dbraw/zinc/59/79/03/512597903.db2.gz RGBXKVWUTVIOCC-UHFFFAOYSA-N 1 2 358.401 2.990 20 30 FFEDLO Cc1nccnc1N1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000374147709 512678523 /nfs/dbraw/zinc/67/85/23/512678523.db2.gz WSRBGVOUGIPWKN-UHFFFAOYSA-N 1 2 372.270 2.741 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000376278169 512745756 /nfs/dbraw/zinc/74/57/56/512745756.db2.gz JVVSYJPCDGZDHE-LJQANCHMSA-N 1 2 359.433 2.701 20 30 FFEDLO C[C@@H](C(=O)NCCc1cccs1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374290642 512749097 /nfs/dbraw/zinc/74/90/97/512749097.db2.gz FIVNYAGZOMIDTQ-INIZCTEOSA-N 1 2 368.506 2.748 20 30 FFEDLO C#CCCCS(=O)(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000376342849 512776992 /nfs/dbraw/zinc/77/69/92/512776992.db2.gz CMTBBHDYKFUUPR-RDJZCZTQSA-N 1 2 374.428 2.572 20 30 FFEDLO C#CCCCS(=O)(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000376342849 512776997 /nfs/dbraw/zinc/77/69/97/512776997.db2.gz CMTBBHDYKFUUPR-RDJZCZTQSA-N 1 2 374.428 2.572 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1)OCC ZINC000372536996 512926425 /nfs/dbraw/zinc/92/64/25/512926425.db2.gz APYYJZLIDLWNNS-SJORKVTESA-N 1 2 364.490 2.562 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1)OCC ZINC000372536996 512926431 /nfs/dbraw/zinc/92/64/31/512926431.db2.gz APYYJZLIDLWNNS-SJORKVTESA-N 1 2 364.490 2.562 20 30 FFEDLO C[N@H+](Cc1ccc(C#N)cc1Br)C(C)(C)CN1CCOCC1 ZINC000412095587 512959300 /nfs/dbraw/zinc/95/93/00/512959300.db2.gz MAWXECBQJWPXRY-UHFFFAOYSA-N 1 2 366.303 2.863 20 30 FFEDLO C[N@@H+](Cc1ccc(C#N)cc1Br)C(C)(C)CN1CCOCC1 ZINC000412095587 512959304 /nfs/dbraw/zinc/95/93/04/512959304.db2.gz MAWXECBQJWPXRY-UHFFFAOYSA-N 1 2 366.303 2.863 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C1=O ZINC000368530404 512989366 /nfs/dbraw/zinc/98/93/66/512989366.db2.gz MAANWEQSJWPMNL-XHSDSOJGSA-N 1 2 361.511 2.519 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C1=O ZINC000368530404 512989371 /nfs/dbraw/zinc/98/93/71/512989371.db2.gz MAANWEQSJWPMNL-XHSDSOJGSA-N 1 2 361.511 2.519 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000408089898 512996845 /nfs/dbraw/zinc/99/68/45/512996845.db2.gz KNKXSANVDAMQAO-XJKCOSOUSA-N 1 2 361.511 2.918 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000408089898 512996850 /nfs/dbraw/zinc/99/68/50/512996850.db2.gz KNKXSANVDAMQAO-XJKCOSOUSA-N 1 2 361.511 2.918 20 30 FFEDLO C=C(C)C[NH+]1CCC(NC(=O)N=c2nc(-c3ccsc3)[nH]s2)CC1 ZINC000376925336 513052828 /nfs/dbraw/zinc/05/28/28/513052828.db2.gz DBMOYGGEFILOCS-UHFFFAOYSA-N 1 2 363.512 2.851 20 30 FFEDLO CCOC(=O)c1c(NC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c(C#N)cn1CC ZINC000421183723 513140943 /nfs/dbraw/zinc/14/09/43/513140943.db2.gz OGRCXXZYWBDZKH-WCQYABFASA-N 1 2 370.413 2.580 20 30 FFEDLO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000428830577 513203675 /nfs/dbraw/zinc/20/36/75/513203675.db2.gz BRISQXSZFVTTTR-HNNXBMFYSA-N 1 2 372.437 2.949 20 30 FFEDLO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000428830577 513203681 /nfs/dbraw/zinc/20/36/81/513203681.db2.gz BRISQXSZFVTTTR-HNNXBMFYSA-N 1 2 372.437 2.949 20 30 FFEDLO N#Cc1cnc(NCC[N@@H+]2CCc3c(Cl)cccc3C2)c([N+](=O)[O-])c1 ZINC000450468821 513208703 /nfs/dbraw/zinc/20/87/03/513208703.db2.gz NINXSMIOYHQKBO-UHFFFAOYSA-N 1 2 357.801 2.985 20 30 FFEDLO N#Cc1cnc(NCC[N@H+]2CCc3c(Cl)cccc3C2)c([N+](=O)[O-])c1 ZINC000450468821 513208709 /nfs/dbraw/zinc/20/87/09/513208709.db2.gz NINXSMIOYHQKBO-UHFFFAOYSA-N 1 2 357.801 2.985 20 30 FFEDLO CCOC(=O)c1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)nc1 ZINC000450565880 513253736 /nfs/dbraw/zinc/25/37/36/513253736.db2.gz KQRFOPLMPQNPHZ-HXUWFJFHSA-N 1 2 364.449 2.641 20 30 FFEDLO N#CC[C@@H](O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000450606415 513270669 /nfs/dbraw/zinc/27/06/69/513270669.db2.gz UDZFTWVIWVPEMA-MRXNPFEDSA-N 1 2 357.483 2.620 20 30 FFEDLO C[C@H]1C[N@@H+]([C@H](CNc2nccc(C#N)c2Cl)c2cccs2)CCO1 ZINC000429196431 513301936 /nfs/dbraw/zinc/30/19/36/513301936.db2.gz JZQVOBRHMNMIKY-GXTWGEPZSA-N 1 2 362.886 2.964 20 30 FFEDLO C[C@H]1C[N@H+]([C@H](CNc2nccc(C#N)c2Cl)c2cccs2)CCO1 ZINC000429196431 513301944 /nfs/dbraw/zinc/30/19/44/513301944.db2.gz JZQVOBRHMNMIKY-GXTWGEPZSA-N 1 2 362.886 2.964 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000440627715 513366423 /nfs/dbraw/zinc/36/64/23/513366423.db2.gz QZAASDQCTYQLAS-GIVPXCGWSA-N 1 2 368.525 2.906 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)c(OC(F)F)c1 ZINC000450895608 513388866 /nfs/dbraw/zinc/38/88/66/513388866.db2.gz KDTGYYKIYABVIO-GFCCVEGCSA-N 1 2 350.325 2.628 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)c(OC(F)F)c1 ZINC000450895608 513388871 /nfs/dbraw/zinc/38/88/71/513388871.db2.gz KDTGYYKIYABVIO-GFCCVEGCSA-N 1 2 350.325 2.628 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)c(OC(F)F)c1 ZINC000450895608 513388877 /nfs/dbraw/zinc/38/88/77/513388877.db2.gz KDTGYYKIYABVIO-GFCCVEGCSA-N 1 2 350.325 2.628 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)c(OC(F)F)c1 ZINC000450895608 513388882 /nfs/dbraw/zinc/38/88/82/513388882.db2.gz KDTGYYKIYABVIO-GFCCVEGCSA-N 1 2 350.325 2.628 20 30 FFEDLO Cc1cc(N2CCN(c3ncc4c(c3C#N)CCC4)CC2)nc(C(C)C)[nH+]1 ZINC000425205668 513450795 /nfs/dbraw/zinc/45/07/95/513450795.db2.gz IMNSXQUBVVJYLL-UHFFFAOYSA-N 1 2 362.481 2.990 20 30 FFEDLO C=CCCn1cc(C(=O)NCc2ccc3c(c2)[nH+]c(C)n3C2CC2)nn1 ZINC000425322899 513510738 /nfs/dbraw/zinc/51/07/38/513510738.db2.gz OJWNQVAMSIPKQE-UHFFFAOYSA-N 1 2 350.426 2.777 20 30 FFEDLO C=CCOc1ccc(CNc2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)cc1 ZINC000413276637 513564250 /nfs/dbraw/zinc/56/42/50/513564250.db2.gz CSBJJIAIWIQNIA-RDJZCZTQSA-N 1 2 354.454 2.861 20 30 FFEDLO C=CCOc1ccc(CNc2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)cc1 ZINC000413276637 513564256 /nfs/dbraw/zinc/56/42/56/513564256.db2.gz CSBJJIAIWIQNIA-RDJZCZTQSA-N 1 2 354.454 2.861 20 30 FFEDLO CCc1cc(N)nc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)[nH+]1 ZINC000447779301 513566423 /nfs/dbraw/zinc/56/64/23/513566423.db2.gz MISIEULPDYWFQN-SECBINFHSA-N 1 2 373.507 2.993 20 30 FFEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H](C)O2 ZINC000447824492 513585375 /nfs/dbraw/zinc/58/53/75/513585375.db2.gz ARIBWNRHUHZGJE-VFVRVIDISA-N 1 2 352.381 2.928 20 30 FFEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H](C)O2 ZINC000447824492 513585387 /nfs/dbraw/zinc/58/53/87/513585387.db2.gz ARIBWNRHUHZGJE-VFVRVIDISA-N 1 2 352.381 2.928 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[NH+]1CCSCC1 ZINC000441519408 513587268 /nfs/dbraw/zinc/58/72/68/513587268.db2.gz AKXWRBKXZLKIAD-SNVBAGLBSA-N 1 2 359.373 2.833 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000413460111 513666698 /nfs/dbraw/zinc/66/66/98/513666698.db2.gz SAXQLAKWLSXLAK-QGZVFWFLSA-N 1 2 367.440 2.992 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C#N)n2C)[C@@H](C)C1 ZINC000451453111 513760514 /nfs/dbraw/zinc/76/05/14/513760514.db2.gz GWGJJYVAPWFZOD-INIZCTEOSA-N 1 2 366.465 2.642 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C#N)n2C)[C@@H](C)C1 ZINC000451453111 513760515 /nfs/dbraw/zinc/76/05/15/513760515.db2.gz GWGJJYVAPWFZOD-INIZCTEOSA-N 1 2 366.465 2.642 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccnc(OC(F)F)c3)CC2)cc1 ZINC000448580737 513791628 /nfs/dbraw/zinc/79/16/28/513791628.db2.gz ZFWFTXKNVAXGIZ-UHFFFAOYSA-N 1 2 372.375 2.513 20 30 FFEDLO CC(C)CCN(CCC#N)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442949018 513824697 /nfs/dbraw/zinc/82/46/97/513824697.db2.gz AZDOTLGKJAWFRV-UHFFFAOYSA-N 1 2 360.483 2.882 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCC2(C#N)CCC2)[C@@H](C)C1 ZINC000419634870 513865234 /nfs/dbraw/zinc/86/52/34/513865234.db2.gz FMEOODCYEPTZQA-KRWDZBQOSA-N 1 2 370.497 2.995 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCC2(C#N)CCC2)[C@@H](C)C1 ZINC000419634870 513865243 /nfs/dbraw/zinc/86/52/43/513865243.db2.gz FMEOODCYEPTZQA-KRWDZBQOSA-N 1 2 370.497 2.995 20 30 FFEDLO C=CCC1(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCCCC1 ZINC000448772983 513891136 /nfs/dbraw/zinc/89/11/36/513891136.db2.gz FURMQGAAVFRBRF-LJQANCHMSA-N 1 2 352.544 2.837 20 30 FFEDLO C=CCOc1ccc(CC(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000448892299 513956158 /nfs/dbraw/zinc/95/61/58/513956158.db2.gz AVXPOLHACJLVML-UHFFFAOYSA-N 1 2 353.344 2.869 20 30 FFEDLO Cc1cc(Cl)cc(Br)c1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414151357 513991011 /nfs/dbraw/zinc/99/10/11/513991011.db2.gz WJBXIBAQJLNTLE-LBPRGKRZSA-N 1 2 361.667 2.996 20 30 FFEDLO Cc1cc(Cl)cc(Br)c1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414151357 513991018 /nfs/dbraw/zinc/99/10/18/513991018.db2.gz WJBXIBAQJLNTLE-LBPRGKRZSA-N 1 2 361.667 2.996 20 30 FFEDLO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000437887687 514260348 /nfs/dbraw/zinc/26/03/48/514260348.db2.gz IQFQOBSQOXXESM-ZBFHGGJFSA-N 1 2 372.437 2.947 20 30 FFEDLO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000437887687 514260356 /nfs/dbraw/zinc/26/03/56/514260356.db2.gz IQFQOBSQOXXESM-ZBFHGGJFSA-N 1 2 372.437 2.947 20 30 FFEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444766220 514322013 /nfs/dbraw/zinc/32/20/13/514322013.db2.gz GTEQKQZZUOCCEH-UHFFFAOYSA-N 1 2 358.873 2.534 20 30 FFEDLO Cc1cc(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc(C)[nH+]1 ZINC000420852877 514335987 /nfs/dbraw/zinc/33/59/87/514335987.db2.gz SZJRRFRXCAPFBI-UHFFFAOYSA-N 1 2 367.428 2.741 20 30 FFEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449914615 514421842 /nfs/dbraw/zinc/42/18/42/514421842.db2.gz MIUUSHMTFOBPTI-ACJLOTCBSA-N 1 2 353.382 2.983 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCc2ncsc2C1 ZINC000445840741 514530480 /nfs/dbraw/zinc/53/04/80/514530480.db2.gz RUJJRJFGBZQKGM-CYBMUJFWSA-N 1 2 358.442 2.976 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCc2ncsc2C1 ZINC000445840741 514530490 /nfs/dbraw/zinc/53/04/90/514530490.db2.gz RUJJRJFGBZQKGM-CYBMUJFWSA-N 1 2 358.442 2.976 20 30 FFEDLO C=C(C)C[N@H+](Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1)Cc1ccccc1 ZINC000475272823 514598643 /nfs/dbraw/zinc/59/86/43/514598643.db2.gz AXSHBAIHBCXFFG-HXUWFJFHSA-N 1 2 373.522 2.995 20 30 FFEDLO C=C(C)C[N@@H+](Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1)Cc1ccccc1 ZINC000475272823 514598649 /nfs/dbraw/zinc/59/86/49/514598649.db2.gz AXSHBAIHBCXFFG-HXUWFJFHSA-N 1 2 373.522 2.995 20 30 FFEDLO COc1ccc2nc(C[N@@H+]3CCCN(c4ccccc4C#N)CC3)[nH]c2n1 ZINC000497764354 514629275 /nfs/dbraw/zinc/62/92/75/514629275.db2.gz ZDWBAHGZUTUZFF-UHFFFAOYSA-N 1 2 362.437 2.550 20 30 FFEDLO COc1ccc2nc(C[N@H+]3CCCN(c4ccccc4C#N)CC3)[nH]c2n1 ZINC000497764354 514629284 /nfs/dbraw/zinc/62/92/84/514629284.db2.gz ZDWBAHGZUTUZFF-UHFFFAOYSA-N 1 2 362.437 2.550 20 30 FFEDLO Cn1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1C#N ZINC000475348940 514630553 /nfs/dbraw/zinc/63/05/53/514630553.db2.gz VONCSBOZHLEMJC-LJQANCHMSA-N 1 2 353.857 2.933 20 30 FFEDLO C=CCn1c(C)cc(C(=O)CN2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000471063547 514738219 /nfs/dbraw/zinc/73/82/19/514738219.db2.gz RMFSPMFBGGNBPW-SFHVURJKSA-N 1 2 355.486 2.576 20 30 FFEDLO CCn1cc[nH+]c1CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000458370196 514742769 /nfs/dbraw/zinc/74/27/69/514742769.db2.gz ORCFJSGRYGHQAO-UHFFFAOYSA-N 1 2 367.453 2.964 20 30 FFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)NCCc1cccc(C#N)c1 ZINC000466818857 514790168 /nfs/dbraw/zinc/79/01/68/514790168.db2.gz FRVYRYBBNXFDFL-UHFFFAOYSA-N 1 2 365.359 2.701 20 30 FFEDLO N#CCc1cccc(NC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)c1 ZINC000455912846 514828780 /nfs/dbraw/zinc/82/87/80/514828780.db2.gz YHWNPIDUYZMOKV-UHFFFAOYSA-N 1 2 368.437 2.712 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000453729995 514837463 /nfs/dbraw/zinc/83/74/63/514837463.db2.gz ILBSQFGDLXEEAT-KRWDZBQOSA-N 1 2 365.437 2.775 20 30 FFEDLO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000485003465 514871267 /nfs/dbraw/zinc/87/12/67/514871267.db2.gz DIGLRDDOUDIOKF-LJQANCHMSA-N 1 2 353.422 2.624 20 30 FFEDLO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000485003465 514871273 /nfs/dbraw/zinc/87/12/73/514871273.db2.gz DIGLRDDOUDIOKF-LJQANCHMSA-N 1 2 353.422 2.624 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(S(=O)(=O)CC34CCC(CC3)C4)CC2)cc1 ZINC000462088071 514874154 /nfs/dbraw/zinc/87/41/54/514874154.db2.gz CNNUIWAYTAJRHR-UHFFFAOYSA-N 1 2 373.522 2.586 20 30 FFEDLO C=CCCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000467092536 514896852 /nfs/dbraw/zinc/89/68/52/514896852.db2.gz CQLFUZOFDSBENS-SJORKVTESA-N 1 2 351.878 2.929 20 30 FFEDLO C=CCCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000467092536 514896860 /nfs/dbraw/zinc/89/68/60/514896860.db2.gz CQLFUZOFDSBENS-SJORKVTESA-N 1 2 351.878 2.929 20 30 FFEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000508817056 514904035 /nfs/dbraw/zinc/90/40/35/514904035.db2.gz IMPFYJRWBHEMJV-UHFFFAOYSA-N 1 2 368.481 2.760 20 30 FFEDLO CC#CCCCC(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000467118313 514904348 /nfs/dbraw/zinc/90/43/48/514904348.db2.gz VKLZODKFARRSJA-UHFFFAOYSA-N 1 2 354.454 2.570 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(N3CCc4ccccc43)CC2)cc1 ZINC000503380802 515016404 /nfs/dbraw/zinc/01/64/04/515016404.db2.gz WFGPGZZNSJLILZ-NRFANRHFSA-N 1 2 360.461 2.612 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccccc3Br)CC2)c1C#N ZINC000471813460 515017193 /nfs/dbraw/zinc/01/71/93/515017193.db2.gz WBYZMYUDIVLEOP-UHFFFAOYSA-N 1 2 374.286 2.685 20 30 FFEDLO C=CCCCS(=O)(=O)N1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000489891774 515018263 /nfs/dbraw/zinc/01/82/63/515018263.db2.gz QORQTYFDSSPNBJ-OAHLLOKOSA-N 1 2 369.556 2.725 20 30 FFEDLO C=CCCCS(=O)(=O)N1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000489891774 515018269 /nfs/dbraw/zinc/01/82/69/515018269.db2.gz QORQTYFDSSPNBJ-OAHLLOKOSA-N 1 2 369.556 2.725 20 30 FFEDLO C[C@H](c1ccsc1)[NH+]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000462461075 515063884 /nfs/dbraw/zinc/06/38/84/515063884.db2.gz AORQZAWKHXJCQE-RDTXWAMCSA-N 1 2 354.479 2.525 20 30 FFEDLO N#Cc1cccc(COc2cccc(C[NH2+]Cc3nnnn3CC3CC3)c2)c1 ZINC000472059400 515106217 /nfs/dbraw/zinc/10/62/17/515106217.db2.gz VPKHDRJKHWZBHQ-UHFFFAOYSA-N 1 2 374.448 2.824 20 30 FFEDLO Cc1nc(SCC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c(C#N)c(C)c1C ZINC000456393795 515152167 /nfs/dbraw/zinc/15/21/67/515152167.db2.gz RPTATWYWDYOGCG-ZUZCIYMTSA-N 1 2 355.467 2.989 20 30 FFEDLO N#Cc1cccc(F)c1CC(=O)N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000509537577 515224509 /nfs/dbraw/zinc/22/45/09/515224509.db2.gz CWIOEWASXROHQM-UHFFFAOYSA-N 1 2 367.424 2.605 20 30 FFEDLO COCCOC1C[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000499233644 515249582 /nfs/dbraw/zinc/24/95/82/515249582.db2.gz NQRFVTXQXJICPL-UHFFFAOYSA-N 1 2 352.434 2.984 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000504379258 515290747 /nfs/dbraw/zinc/29/07/47/515290747.db2.gz YQUYHUNQNXISEU-UHFFFAOYSA-N 1 2 366.465 2.935 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(OC)ccc2Br)C1=O ZINC000499738529 515435008 /nfs/dbraw/zinc/43/50/08/515435008.db2.gz KSHXLXYPXDWWJF-HNNXBMFYSA-N 1 2 353.260 2.676 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(OC)ccc2Br)C1=O ZINC000499738529 515435013 /nfs/dbraw/zinc/43/50/13/515435013.db2.gz KSHXLXYPXDWWJF-HNNXBMFYSA-N 1 2 353.260 2.676 20 30 FFEDLO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)C1 ZINC000459303004 515458290 /nfs/dbraw/zinc/45/82/90/515458290.db2.gz NWFZTLGQLDSFPM-HNNXBMFYSA-N 1 2 370.453 2.937 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000459391002 515520262 /nfs/dbraw/zinc/52/02/62/515520262.db2.gz JTNADZYKYBCZAA-SFHVURJKSA-N 1 2 364.405 2.920 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2c(CC)cccc2CC)C1=O ZINC000500002272 515552776 /nfs/dbraw/zinc/55/27/76/515552776.db2.gz SDEAYYOYUORDNY-CRAIPNDOSA-N 1 2 357.498 2.857 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2c(CC)cccc2CC)C1=O ZINC000500002272 515552785 /nfs/dbraw/zinc/55/27/85/515552785.db2.gz SDEAYYOYUORDNY-CRAIPNDOSA-N 1 2 357.498 2.857 20 30 FFEDLO N#Cc1ccc(Br)c(Cn2c3ccccc3[nH+]c2NCCO)c1 ZINC000492723011 515557190 /nfs/dbraw/zinc/55/71/90/515557190.db2.gz OOFGESIBAYHWTF-UHFFFAOYSA-N 1 2 371.238 2.545 20 30 FFEDLO COc1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000492755603 515559305 /nfs/dbraw/zinc/55/93/05/515559305.db2.gz DWYRQXDCMMSQSS-LJQANCHMSA-N 1 2 366.421 2.986 20 30 FFEDLO CC[C@@](C)(C#N)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000456984326 515565185 /nfs/dbraw/zinc/56/51/85/515565185.db2.gz QPQLYQFLAYUOHM-HNNXBMFYSA-N 1 2 367.247 2.559 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000505679380 515631773 /nfs/dbraw/zinc/63/17/73/515631773.db2.gz WHXQSMDRLOKMQV-KRWDZBQOSA-N 1 2 366.465 2.942 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459562715 515650712 /nfs/dbraw/zinc/65/07/12/515650712.db2.gz OWDBYXYJTNXSJA-OXJNMPFZSA-N 1 2 358.438 2.826 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459562715 515650724 /nfs/dbraw/zinc/65/07/24/515650724.db2.gz OWDBYXYJTNXSJA-OXJNMPFZSA-N 1 2 358.438 2.826 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000510845811 515686353 /nfs/dbraw/zinc/68/63/53/515686353.db2.gz NZXQEKOIASFWOO-UHFFFAOYSA-N 1 2 367.424 2.593 20 30 FFEDLO COC(=O)[C@@H](C)Oc1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000459612708 515694584 /nfs/dbraw/zinc/69/45/84/515694584.db2.gz MLTDJJQQGMXANI-OAHLLOKOSA-N 1 2 366.417 2.762 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000464818893 515972820 /nfs/dbraw/zinc/97/28/20/515972820.db2.gz AADRTBVUNXNBKG-HKUYNNGSSA-N 1 2 369.465 2.941 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000464818893 515972826 /nfs/dbraw/zinc/97/28/26/515972826.db2.gz AADRTBVUNXNBKG-HKUYNNGSSA-N 1 2 369.465 2.941 20 30 FFEDLO C=CCN(CC=C)C(=O)CN1CCc2c([nH+]cn2-c2ccc(C)cc2)C1 ZINC000487948734 516046114 /nfs/dbraw/zinc/04/61/14/516046114.db2.gz AOQMKMVYQYKGAS-UHFFFAOYSA-N 1 2 350.466 2.739 20 30 FFEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000483418534 516079370 /nfs/dbraw/zinc/07/93/70/516079370.db2.gz NZVOVQBDENMSNV-UHFFFAOYSA-N 1 2 361.511 2.835 20 30 FFEDLO N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC000460323061 516115132 /nfs/dbraw/zinc/11/51/32/516115132.db2.gz DOOJLHIOEIQORG-UHFFFAOYSA-N 1 2 368.418 2.664 20 30 FFEDLO CCc1cccc2c(C(=O)[C@@H]([NH2+]CC(=O)NCC#N)c3ccccc3)c[nH]c21 ZINC000507276260 516150766 /nfs/dbraw/zinc/15/07/66/516150766.db2.gz FSDWPQINFZRUSM-NRFANRHFSA-N 1 2 374.444 2.884 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000512165533 516180352 /nfs/dbraw/zinc/18/03/52/516180352.db2.gz LOHDSLILFLUAQP-IBGZPJMESA-N 1 2 370.449 2.964 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000512165533 516180362 /nfs/dbraw/zinc/18/03/62/516180362.db2.gz LOHDSLILFLUAQP-IBGZPJMESA-N 1 2 370.449 2.964 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000512198155 516193701 /nfs/dbraw/zinc/19/37/01/516193701.db2.gz UHVRYUSRYCURIY-HNNXBMFYSA-N 1 2 371.437 2.887 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000512198155 516193710 /nfs/dbraw/zinc/19/37/10/516193710.db2.gz UHVRYUSRYCURIY-HNNXBMFYSA-N 1 2 371.437 2.887 20 30 FFEDLO N#Cc1ccc(OCCNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000465581927 516203237 /nfs/dbraw/zinc/20/32/37/516203237.db2.gz ZQUBKMIQMOIRPK-UHFFFAOYSA-N 1 2 369.812 2.738 20 30 FFEDLO CC1(C)C[N@H+](CCNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCO1 ZINC000465812565 516265206 /nfs/dbraw/zinc/26/52/06/516265206.db2.gz VOISHVXHYNITPL-RBUKOAKNSA-N 1 2 370.497 2.579 20 30 FFEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCO1 ZINC000465812565 516265210 /nfs/dbraw/zinc/26/52/10/516265210.db2.gz VOISHVXHYNITPL-RBUKOAKNSA-N 1 2 370.497 2.579 20 30 FFEDLO N#CCCCCS(=O)(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000501987804 516280293 /nfs/dbraw/zinc/28/02/93/516280293.db2.gz KFZWKUIBLCYQKA-UHFFFAOYSA-N 1 2 360.483 2.629 20 30 FFEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000522965826 516361115 /nfs/dbraw/zinc/36/11/15/516361115.db2.gz CYWWJYBLVCVIQD-UHFFFAOYSA-N 1 2 366.384 2.709 20 30 FFEDLO CN(C)c1[nH+]cccc1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000561087675 516371697 /nfs/dbraw/zinc/37/16/97/516371697.db2.gz LKVWVNLXLRTUTJ-CQSZACIVSA-N 1 2 353.401 2.623 20 30 FFEDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000528369898 516385514 /nfs/dbraw/zinc/38/55/14/516385514.db2.gz WDLBTNHDCGSZLI-LKUPVBHCSA-N 1 2 352.434 2.760 20 30 FFEDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000528369898 516385521 /nfs/dbraw/zinc/38/55/21/516385521.db2.gz WDLBTNHDCGSZLI-LKUPVBHCSA-N 1 2 352.434 2.760 20 30 FFEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ncc(C#N)cc3C)CC2)c1 ZINC000550692619 516385676 /nfs/dbraw/zinc/38/56/76/516385676.db2.gz MTJLICZYWITTAG-INIZCTEOSA-N 1 2 364.449 2.789 20 30 FFEDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000528369897 516385939 /nfs/dbraw/zinc/38/59/39/516385939.db2.gz WDLBTNHDCGSZLI-BSIFCXSSSA-N 1 2 352.434 2.760 20 30 FFEDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000528369897 516385951 /nfs/dbraw/zinc/38/59/51/516385951.db2.gz WDLBTNHDCGSZLI-BSIFCXSSSA-N 1 2 352.434 2.760 20 30 FFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 ZINC000528408165 516414115 /nfs/dbraw/zinc/41/41/15/516414115.db2.gz GIVSCQLAHSQGJN-OAHLLOKOSA-N 1 2 352.413 2.540 20 30 FFEDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000517928373 516496001 /nfs/dbraw/zinc/49/60/01/516496001.db2.gz CYQYLBMZWDMNKY-UHFFFAOYSA-N 1 2 368.403 2.567 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000544111211 516589352 /nfs/dbraw/zinc/58/93/52/516589352.db2.gz ZXJYFGRNRGJHCR-JTQLQIEISA-N 1 2 372.288 2.659 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000544111211 516589360 /nfs/dbraw/zinc/58/93/60/516589360.db2.gz ZXJYFGRNRGJHCR-JTQLQIEISA-N 1 2 372.288 2.659 20 30 FFEDLO N#Cc1cc(Br)ccc1Cn1c2ccccc2[nH+]c1NCCO ZINC000554693802 516590175 /nfs/dbraw/zinc/59/01/75/516590175.db2.gz NOLCSEXOZXHEIU-UHFFFAOYSA-N 1 2 371.238 2.545 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000536023843 516597174 /nfs/dbraw/zinc/59/71/74/516597174.db2.gz ZLUNJQHPGTXENM-MRXNPFEDSA-N 1 2 361.854 2.677 20 30 FFEDLO C=CCOc1ccccc1C[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000513391622 516601302 /nfs/dbraw/zinc/60/13/02/516601302.db2.gz DTBOBRPRJSTZRJ-UHFFFAOYSA-N 1 2 371.525 2.818 20 30 FFEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC(n3cc[nH+]c3)C2)cc1C ZINC000524401149 516710557 /nfs/dbraw/zinc/71/05/57/516710557.db2.gz RVXZANSKWQAPDB-UHFFFAOYSA-N 1 2 374.448 2.974 20 30 FFEDLO N#Cc1ccc2[nH+]cc(CNc3cc(C(N)=O)ccc3OCC(F)F)n2c1 ZINC000555105000 516784487 /nfs/dbraw/zinc/78/44/87/516784487.db2.gz OPRWXCHSSRXYDM-UHFFFAOYSA-N 1 2 371.347 2.561 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000544514105 516791901 /nfs/dbraw/zinc/79/19/01/516791901.db2.gz HRHHFVIVVPPGCG-CYBMUJFWSA-N 1 2 353.488 2.703 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000558567441 516811810 /nfs/dbraw/zinc/81/18/10/516811810.db2.gz FMNPOFLLCNPSJU-UHFFFAOYSA-N 1 2 362.355 3.000 20 30 FFEDLO C=C(C)Cn1c(CCCC)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000555267961 516856805 /nfs/dbraw/zinc/85/68/05/516856805.db2.gz DVBWCJNKXCDUMQ-UHFFFAOYSA-N 1 2 358.490 2.815 20 30 FFEDLO COC(=O)c1ccc2c(c1)C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC2 ZINC000536729679 516910909 /nfs/dbraw/zinc/91/09/09/516910909.db2.gz MHGWETZMRACXEP-UHFFFAOYSA-N 1 2 369.465 2.516 20 30 FFEDLO COC(=O)c1ccc2c(c1)C[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC2 ZINC000536729679 516910921 /nfs/dbraw/zinc/91/09/21/516910921.db2.gz MHGWETZMRACXEP-UHFFFAOYSA-N 1 2 369.465 2.516 20 30 FFEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000562213666 516961658 /nfs/dbraw/zinc/96/16/58/516961658.db2.gz LCPYSZQQIXHSPF-UHFFFAOYSA-N 1 2 365.424 2.510 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)c1ccc(F)c(F)c1 ZINC000562438900 517108180 /nfs/dbraw/zinc/10/81/80/517108180.db2.gz AYBPKCFTTYWQJK-KRWDZBQOSA-N 1 2 365.424 2.746 20 30 FFEDLO N#CCC[C@@H](C#N)C[NH2+][C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000514906470 517116655 /nfs/dbraw/zinc/11/66/55/517116655.db2.gz AQKPYJWRIALPGZ-JSGCOSHPSA-N 1 2 350.344 2.844 20 30 FFEDLO Cc1cc(C[NH+]2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)ccc1C#N ZINC000519695720 517130939 /nfs/dbraw/zinc/13/09/39/517130939.db2.gz WGAUPIILUPAUKB-JOCHJYFZSA-N 1 2 374.488 2.790 20 30 FFEDLO Cc1noc([C@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)n1 ZINC000541650763 517158034 /nfs/dbraw/zinc/15/80/34/517158034.db2.gz XISGHTKVEKMMCL-RYUDHWBXSA-N 1 2 359.455 2.919 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCC2(C#N)CC2)[C@@H](C)C1 ZINC000515033087 517179896 /nfs/dbraw/zinc/17/98/96/517179896.db2.gz APUVWIHWGWWWOF-INIZCTEOSA-N 1 2 356.470 2.605 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCC2(C#N)CC2)[C@@H](C)C1 ZINC000515033087 517179906 /nfs/dbraw/zinc/17/99/06/517179906.db2.gz APUVWIHWGWWWOF-INIZCTEOSA-N 1 2 356.470 2.605 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000532906618 517195742 /nfs/dbraw/zinc/19/57/42/517195742.db2.gz BOZULTKDROMXGN-GOSISDBHSA-N 1 2 366.465 2.733 20 30 FFEDLO Cc1ccc(CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000515208986 517255989 /nfs/dbraw/zinc/25/59/89/517255989.db2.gz GJVVADBBJIDMMC-UHFFFAOYSA-N 1 2 352.438 2.530 20 30 FFEDLO Cc1cc(NCCNC(=O)c2ccc(C3(C#N)CC3)cc2)nc(C(C)C)[nH+]1 ZINC000529844914 517395702 /nfs/dbraw/zinc/39/57/02/517395702.db2.gz KOTSZZTZFUNNOG-UHFFFAOYSA-N 1 2 363.465 2.727 20 30 FFEDLO CO[C@@H](CN(CCC#N)CC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000549137011 517419837 /nfs/dbraw/zinc/41/98/37/517419837.db2.gz FGVZSFIIZDZRKJ-SFHVURJKSA-N 1 2 351.878 2.575 20 30 FFEDLO C[C@@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000520529689 517424278 /nfs/dbraw/zinc/42/42/78/517424278.db2.gz FZRFGUCWESVVRJ-MOPGFXCFSA-N 1 2 362.473 2.925 20 30 FFEDLO COCC[N@H+](CCOc1ccc(F)cc1)CC(=O)Nc1cccc(C#N)c1 ZINC000533418809 517454212 /nfs/dbraw/zinc/45/42/12/517454212.db2.gz PXMIZZIPFZEZJK-UHFFFAOYSA-N 1 2 371.412 2.663 20 30 FFEDLO COCC[N@@H+](CCOc1ccc(F)cc1)CC(=O)Nc1cccc(C#N)c1 ZINC000533418809 517454215 /nfs/dbraw/zinc/45/42/15/517454215.db2.gz PXMIZZIPFZEZJK-UHFFFAOYSA-N 1 2 371.412 2.663 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)NCCCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542239581 517455532 /nfs/dbraw/zinc/45/55/32/517455532.db2.gz AZOHGXIKBUTZKH-HOCLYGCPSA-N 1 2 354.376 2.842 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)NCCCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542239581 517455542 /nfs/dbraw/zinc/45/55/42/517455542.db2.gz AZOHGXIKBUTZKH-HOCLYGCPSA-N 1 2 354.376 2.842 20 30 FFEDLO N#Cc1ccc(C[N@@H+](CC(=O)NCC(=O)c2cccs2)C2CC2)cc1 ZINC000542247270 517459683 /nfs/dbraw/zinc/45/96/83/517459683.db2.gz BBEYBESFUZUQJG-UHFFFAOYSA-N 1 2 353.447 2.583 20 30 FFEDLO N#Cc1ccc(C[N@H+](CC(=O)NCC(=O)c2cccs2)C2CC2)cc1 ZINC000542247270 517459689 /nfs/dbraw/zinc/45/96/89/517459689.db2.gz BBEYBESFUZUQJG-UHFFFAOYSA-N 1 2 353.447 2.583 20 30 FFEDLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3cnc4ccc(C#N)cn34)n2)c1 ZINC000556617863 517523612 /nfs/dbraw/zinc/52/36/12/517523612.db2.gz FGXXTAKTNGRFIY-ZDUSSCGKSA-N 1 2 358.409 2.545 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cnc(C#N)c(Cl)c1)C1CCOCC1 ZINC000556665951 517552650 /nfs/dbraw/zinc/55/26/50/517552650.db2.gz HIIGHIOJBRHHMM-OAHLLOKOSA-N 1 2 374.832 2.630 20 30 FFEDLO Fc1cnc(N2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000546123967 517554364 /nfs/dbraw/zinc/55/43/64/517554364.db2.gz GQBZJHWYAGGTDP-UHFFFAOYSA-N 1 2 364.346 2.808 20 30 FFEDLO N#Cc1cc(N2CCc3c([nH+]cn3-c3ccccc3)C2)cc(N)c1[N+](=O)[O-] ZINC000553183764 517563883 /nfs/dbraw/zinc/56/38/83/517563883.db2.gz XZGKSRLLOQPFSR-UHFFFAOYSA-N 1 2 360.377 2.797 20 30 FFEDLO C=CC[C@H](CO)NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000538404631 517606723 /nfs/dbraw/zinc/60/67/23/517606723.db2.gz LLLCAEUWLCQQKE-CZUORRHYSA-N 1 2 369.868 2.852 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000521137438 517625899 /nfs/dbraw/zinc/62/58/99/517625899.db2.gz RLJGEMIHOJHRII-UHFFFAOYSA-N 1 2 364.453 2.619 20 30 FFEDLO COC(=O)c1cc(NCc2c[nH+]c3ccc(C#N)cn23)c(OC)c(OC)c1 ZINC000560256698 517661327 /nfs/dbraw/zinc/66/13/27/517661327.db2.gz HFOHPQLVZRDISY-UHFFFAOYSA-N 1 2 366.377 2.622 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCOc4cc(O)ccc4C3)C2=O)cc1 ZINC000556846350 517703550 /nfs/dbraw/zinc/70/35/50/517703550.db2.gz PBIPNWWOOLHOPU-IBGZPJMESA-N 1 2 363.417 2.654 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCOc4cc(O)ccc4C3)C2=O)cc1 ZINC000556846350 517703562 /nfs/dbraw/zinc/70/35/62/517703562.db2.gz PBIPNWWOOLHOPU-IBGZPJMESA-N 1 2 363.417 2.654 20 30 FFEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000563367501 517852313 /nfs/dbraw/zinc/85/23/13/517852313.db2.gz OZIGCOMMMMRDSM-PWSUYJOCSA-N 1 2 368.359 2.661 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2nnc(C)s2)cc1 ZINC000546811274 517869227 /nfs/dbraw/zinc/86/92/27/517869227.db2.gz JLJDUMUENDSMPU-ZDUSSCGKSA-N 1 2 373.482 2.843 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2nnc(C)s2)cc1 ZINC000546811273 517869970 /nfs/dbraw/zinc/86/99/70/517869970.db2.gz JLJDUMUENDSMPU-CYBMUJFWSA-N 1 2 373.482 2.843 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000534530277 517930918 /nfs/dbraw/zinc/93/09/18/517930918.db2.gz AJMYDJWLYVBRSL-MRXNPFEDSA-N 1 2 361.854 2.677 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000534530277 517930925 /nfs/dbraw/zinc/93/09/25/517930925.db2.gz AJMYDJWLYVBRSL-MRXNPFEDSA-N 1 2 361.854 2.677 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c1C#N ZINC000553893068 517955716 /nfs/dbraw/zinc/95/57/16/517955716.db2.gz AWTKMVDWYJDNMT-QGZVFWFLSA-N 1 2 351.406 2.531 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)c1C#N ZINC000553893068 517955723 /nfs/dbraw/zinc/95/57/23/517955723.db2.gz AWTKMVDWYJDNMT-QGZVFWFLSA-N 1 2 351.406 2.531 20 30 FFEDLO C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]Cc2nc(C#N)cs2)C1=O ZINC000550290859 517974701 /nfs/dbraw/zinc/97/47/01/517974701.db2.gz COPPQVXBRCYOLY-BLLLJJGKSA-N 1 2 358.442 2.996 20 30 FFEDLO CS(=O)(=O)Nc1cccc2c1CC[N@H+](Cc1cccc(C#N)c1F)C2 ZINC000557432322 518002749 /nfs/dbraw/zinc/00/27/49/518002749.db2.gz QQGGCKMHSGBJCI-UHFFFAOYSA-N 1 2 359.426 2.627 20 30 FFEDLO CS(=O)(=O)Nc1cccc2c1CC[N@@H+](Cc1cccc(C#N)c1F)C2 ZINC000557432322 518002759 /nfs/dbraw/zinc/00/27/59/518002759.db2.gz QQGGCKMHSGBJCI-UHFFFAOYSA-N 1 2 359.426 2.627 20 30 FFEDLO Cc1nc(SCC(=O)NCCCCn2cc[nH+]c2)c(C#N)c(C)c1C ZINC000522189649 518022957 /nfs/dbraw/zinc/02/29/57/518022957.db2.gz LVUKMBUOYRPWAP-UHFFFAOYSA-N 1 2 357.483 2.764 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000522468563 518113545 /nfs/dbraw/zinc/11/35/45/518113545.db2.gz JVFYDWPXQKWYGV-LJQANCHMSA-N 1 2 351.475 2.965 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000522468563 518113555 /nfs/dbraw/zinc/11/35/55/518113555.db2.gz JVFYDWPXQKWYGV-LJQANCHMSA-N 1 2 351.475 2.965 20 30 FFEDLO Cn1c[nH+]cc1CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000563907331 518223311 /nfs/dbraw/zinc/22/33/11/518223311.db2.gz YSRLZZRVVUMTFR-UHFFFAOYSA-N 1 2 359.389 2.725 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000572595583 518266662 /nfs/dbraw/zinc/26/66/62/518266662.db2.gz OJEJBKWLEFNAKL-NIYFSFCBSA-N 1 2 371.506 2.613 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000572595583 518266669 /nfs/dbraw/zinc/26/66/69/518266669.db2.gz OJEJBKWLEFNAKL-NIYFSFCBSA-N 1 2 371.506 2.613 20 30 FFEDLO CCC(=O)N1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000581425932 518279801 /nfs/dbraw/zinc/27/98/01/518279801.db2.gz WQPSQEMHKJEPEK-UHFFFAOYSA-N 1 2 374.510 2.729 20 30 FFEDLO CCC(=O)N1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000581425932 518279807 /nfs/dbraw/zinc/27/98/07/518279807.db2.gz WQPSQEMHKJEPEK-UHFFFAOYSA-N 1 2 374.510 2.729 20 30 FFEDLO Cc1cc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c(C#N)cc1N(C)C ZINC000584458850 518352636 /nfs/dbraw/zinc/35/26/36/518352636.db2.gz PXAUUGVZCHZPLN-INIZCTEOSA-N 1 2 352.442 2.826 20 30 FFEDLO CC(C)n1c(COc2ccc(C#N)cc2)nnc1N1CCn2cc[nH+]c2C1 ZINC000564292535 518381485 /nfs/dbraw/zinc/38/14/85/518381485.db2.gz IBEDTUFXDVJEDB-UHFFFAOYSA-N 1 2 363.425 2.526 20 30 FFEDLO C[C@@](C#N)(NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000564518669 518483067 /nfs/dbraw/zinc/48/30/67/518483067.db2.gz ZAGCSRADZPGOCV-FPOVZHCZSA-N 1 2 355.482 2.866 20 30 FFEDLO C[C@@](C#N)(NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000564518669 518483077 /nfs/dbraw/zinc/48/30/77/518483077.db2.gz ZAGCSRADZPGOCV-FPOVZHCZSA-N 1 2 355.482 2.866 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000564534579 518489953 /nfs/dbraw/zinc/48/99/53/518489953.db2.gz ACUCUZHZFBQETP-ZJPYXAASSA-N 1 2 365.424 2.743 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000564534579 518489959 /nfs/dbraw/zinc/48/99/59/518489959.db2.gz ACUCUZHZFBQETP-ZJPYXAASSA-N 1 2 365.424 2.743 20 30 FFEDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000564576193 518510414 /nfs/dbraw/zinc/51/04/14/518510414.db2.gz LMUOSJIAOMICDX-UHFFFAOYSA-N 1 2 368.393 2.936 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000564576193 518510421 /nfs/dbraw/zinc/51/04/21/518510421.db2.gz LMUOSJIAOMICDX-UHFFFAOYSA-N 1 2 368.393 2.936 20 30 FFEDLO N#CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000576281846 518517430 /nfs/dbraw/zinc/51/74/30/518517430.db2.gz NIIVNWRNRCSGOK-UHFFFAOYSA-N 1 2 353.382 2.936 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3conc3Cc3ccccc3)CC2)c1 ZINC000570432460 518604026 /nfs/dbraw/zinc/60/40/26/518604026.db2.gz HSJWJDOHPFKSIJ-UHFFFAOYSA-N 1 2 359.433 2.854 20 30 FFEDLO C=CCOc1ccc(CNC(=O)N2CCN(c3c[nH+]ccc3C)CC2)cc1 ZINC000573311710 518605620 /nfs/dbraw/zinc/60/56/20/518605620.db2.gz QWIBDVRTYARIAU-UHFFFAOYSA-N 1 2 366.465 2.987 20 30 FFEDLO Cc1ccc(-n2nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c3c2CCC3)c(C)c1 ZINC000570455470 518615453 /nfs/dbraw/zinc/61/54/53/518615453.db2.gz QMRSTTQVAIERDN-OAQYLSRUSA-N 1 2 365.481 2.552 20 30 FFEDLO Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c12 ZINC000570573967 518674664 /nfs/dbraw/zinc/67/46/64/518674664.db2.gz WTQAPEGEJOGLOZ-HXUWFJFHSA-N 1 2 363.421 2.772 20 30 FFEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000587971358 518688871 /nfs/dbraw/zinc/68/88/71/518688871.db2.gz BXIDIUNZADYLOG-AAEUAGOBSA-N 1 2 368.264 2.800 20 30 FFEDLO C=CCN1C(=O)N([C@@H]2C[C@@H](C)n3cc[nH+]c32)C(=O)[C@H]1Cc1ccccc1 ZINC000573549760 518721380 /nfs/dbraw/zinc/72/13/80/518721380.db2.gz ZXEVJEFFCGQNKD-DJIMGWMZSA-N 1 2 350.422 2.950 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000573615145 518751989 /nfs/dbraw/zinc/75/19/89/518751989.db2.gz UACRFXKMYYFODX-SQWLQELKSA-N 1 2 350.260 2.513 20 30 FFEDLO CC(C)Oc1cc(Br)ccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000565052156 518762884 /nfs/dbraw/zinc/76/28/84/518762884.db2.gz VRCUSMLZJIGBPW-INIZCTEOSA-N 1 2 368.275 2.810 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)C[C@H](c2ccc(F)cc2)O1 ZINC000567896496 518773674 /nfs/dbraw/zinc/77/36/74/518773674.db2.gz UNJRSEMKJLOPKM-FZKQIMNGSA-N 1 2 351.385 2.702 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C[C@H](c2ccc(F)cc2)O1 ZINC000567896496 518773680 /nfs/dbraw/zinc/77/36/80/518773680.db2.gz UNJRSEMKJLOPKM-FZKQIMNGSA-N 1 2 351.385 2.702 20 30 FFEDLO COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000570816882 518796478 /nfs/dbraw/zinc/79/64/78/518796478.db2.gz XWUOVGGKWFBPLU-HNNXBMFYSA-N 1 2 351.410 2.595 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CSCc1coc(-c2ccccc2)n1 ZINC000567995461 518822851 /nfs/dbraw/zinc/82/28/51/518822851.db2.gz LLMHIDSTKUESGX-GOSISDBHSA-N 1 2 358.467 2.535 20 30 FFEDLO COC(=O)c1cccc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)c1C#N ZINC000574065122 518972028 /nfs/dbraw/zinc/97/20/28/518972028.db2.gz SZOOCQTVZGNWHJ-IBGZPJMESA-N 1 2 365.433 2.654 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000571217120 518983160 /nfs/dbraw/zinc/98/31/60/518983160.db2.gz UCCMOGGIAWTKCJ-AWEZNQCLSA-N 1 2 358.385 2.752 20 30 FFEDLO C=CC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000571217120 518983165 /nfs/dbraw/zinc/98/31/65/518983165.db2.gz UCCMOGGIAWTKCJ-AWEZNQCLSA-N 1 2 358.385 2.752 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cnn(C)c2C)cc1 ZINC000577260220 518992815 /nfs/dbraw/zinc/99/28/15/518992815.db2.gz IHUKKBGVGIPBOM-UHFFFAOYSA-N 1 2 369.469 2.506 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cnn(C)c2C)cc1 ZINC000577260220 518992822 /nfs/dbraw/zinc/99/28/22/518992822.db2.gz IHUKKBGVGIPBOM-UHFFFAOYSA-N 1 2 369.469 2.506 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1ccc(C#N)cc1F ZINC000571380383 519066075 /nfs/dbraw/zinc/06/60/75/519066075.db2.gz NGEKURJOKGFFJT-UHFFFAOYSA-N 1 2 364.446 2.557 20 30 FFEDLO Cn1c2cc(F)ccc2[nH+]c1N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000590059665 519139719 /nfs/dbraw/zinc/13/97/19/519139719.db2.gz IGEBAVIICASSQF-UHFFFAOYSA-N 1 2 366.400 2.776 20 30 FFEDLO C[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000568769002 519206686 /nfs/dbraw/zinc/20/66/86/519206686.db2.gz OADIFVBSKRBEFA-BLLLJJGKSA-N 1 2 352.276 2.588 20 30 FFEDLO Cc1ccc([C@H](CNC(=O)[C@]2(C#N)CC23CCCC3)[NH+]2CCOCC2)cc1 ZINC000590622982 519293693 /nfs/dbraw/zinc/29/36/93/519293693.db2.gz GYNYGTRSIICYAV-SIKLNZKXSA-N 1 2 367.493 2.959 20 30 FFEDLO C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(C#N)cn1 ZINC000578374727 519558799 /nfs/dbraw/zinc/55/87/99/519558799.db2.gz KMCBLSXUTNZFDT-UHFFFAOYSA-N 1 2 355.530 2.581 20 30 FFEDLO C[C@H](NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1cccc2ccccc21 ZINC000602855303 519926912 /nfs/dbraw/zinc/92/69/12/519926912.db2.gz GHXCTRXZRDRMSO-KSZLIROESA-N 1 2 364.493 2.935 20 30 FFEDLO C[C@H](NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1cccc2ccccc21 ZINC000602855303 519926917 /nfs/dbraw/zinc/92/69/17/519926917.db2.gz GHXCTRXZRDRMSO-KSZLIROESA-N 1 2 364.493 2.935 20 30 FFEDLO CCN(C(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1)c1nc2ccccc2s1 ZINC000602865387 519935561 /nfs/dbraw/zinc/93/55/61/519935561.db2.gz SNEMBUMLVLRMPO-GJZGRUSLSA-N 1 2 371.510 2.567 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccc(Br)cc1F ZINC000602927771 519978829 /nfs/dbraw/zinc/97/88/29/519978829.db2.gz YKXHZAUJAXUWHJ-NSHDSACASA-N 1 2 368.250 2.971 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccc(Br)cc1F ZINC000602927771 519978833 /nfs/dbraw/zinc/97/88/33/519978833.db2.gz YKXHZAUJAXUWHJ-NSHDSACASA-N 1 2 368.250 2.971 20 30 FFEDLO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602974346 520000871 /nfs/dbraw/zinc/00/08/71/520000871.db2.gz MWLUNHZSTMFYGU-GDBMZVCRSA-N 1 2 351.397 2.870 20 30 FFEDLO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602974346 520000882 /nfs/dbraw/zinc/00/08/82/520000882.db2.gz MWLUNHZSTMFYGU-GDBMZVCRSA-N 1 2 351.397 2.870 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602980189 520004402 /nfs/dbraw/zinc/00/44/02/520004402.db2.gz MTJVITNDPNKPEC-YLJYHZDGSA-N 1 2 365.481 2.729 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602980189 520004409 /nfs/dbraw/zinc/00/44/09/520004409.db2.gz MTJVITNDPNKPEC-YLJYHZDGSA-N 1 2 365.481 2.729 20 30 FFEDLO C[N@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602979865 520005030 /nfs/dbraw/zinc/00/50/30/520005030.db2.gz IRQLKFSDHSGOQY-JFIYKMOQSA-N 1 2 354.479 2.973 20 30 FFEDLO C[N@@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602979865 520005038 /nfs/dbraw/zinc/00/50/38/520005038.db2.gz IRQLKFSDHSGOQY-JFIYKMOQSA-N 1 2 354.479 2.973 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602988708 520009659 /nfs/dbraw/zinc/00/96/59/520009659.db2.gz TYJRAPZRJLQWNC-WCQYABFASA-N 1 2 363.177 2.923 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602988708 520009664 /nfs/dbraw/zinc/00/96/64/520009664.db2.gz TYJRAPZRJLQWNC-WCQYABFASA-N 1 2 363.177 2.923 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(NC(=O)c2ccccc2)c1 ZINC000591772660 520031831 /nfs/dbraw/zinc/03/18/31/520031831.db2.gz VCGRHDHNLDWZLK-LJQANCHMSA-N 1 2 352.438 2.557 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(NC(=O)c2ccccc2)c1 ZINC000591772660 520031839 /nfs/dbraw/zinc/03/18/39/520031839.db2.gz VCGRHDHNLDWZLK-LJQANCHMSA-N 1 2 352.438 2.557 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1OC1CC1 ZINC000600106431 520049921 /nfs/dbraw/zinc/04/99/21/520049921.db2.gz ZBZUFPKMOIRCFO-UHFFFAOYSA-N 1 2 364.449 2.825 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(CCC#N)CC3)c[nH+]2)CCO1 ZINC000591905820 520080174 /nfs/dbraw/zinc/08/01/74/520080174.db2.gz HXJNRTBXKKOKGC-MRXNPFEDSA-N 1 2 371.485 2.532 20 30 FFEDLO N#Cc1ccc([C@@H]([NH2+]C[C@H](OC2CCCC2)C(F)(F)F)C(N)=O)cc1 ZINC000594709820 520105516 /nfs/dbraw/zinc/10/55/16/520105516.db2.gz FPPTYXKCZDPPTQ-LSDHHAIUSA-N 1 2 355.360 2.564 20 30 FFEDLO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000608779919 520125149 /nfs/dbraw/zinc/12/51/49/520125149.db2.gz HRWOEBGDFWJQNA-QGZVFWFLSA-N 1 2 360.461 2.658 20 30 FFEDLO Cn1cc(-c2nc(C[NH+]3CCN(c4ccccc4C#N)CC3)cs2)cn1 ZINC000608779897 520125591 /nfs/dbraw/zinc/12/55/91/520125591.db2.gz SITLYJKUFMAGLT-UHFFFAOYSA-N 1 2 364.478 2.737 20 30 FFEDLO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccncc2C#N)cc1 ZINC000592073723 520167601 /nfs/dbraw/zinc/16/76/01/520167601.db2.gz JQRDTSNADCOBII-HNNXBMFYSA-N 1 2 372.494 2.835 20 30 FFEDLO N#CC1(CC(=O)N(CC[NH+]2CCOCC2)[C@@H]2CCSC2)CCCCC1 ZINC000597680150 520172474 /nfs/dbraw/zinc/17/24/74/520172474.db2.gz WCYXMXVBXILPBN-QGZVFWFLSA-N 1 2 365.543 2.517 20 30 FFEDLO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592147396 520223121 /nfs/dbraw/zinc/22/31/21/520223121.db2.gz LKFPYJUXYWENJG-PZJWPPBQSA-N 1 2 365.433 2.725 20 30 FFEDLO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592147396 520223131 /nfs/dbraw/zinc/22/31/31/520223131.db2.gz LKFPYJUXYWENJG-PZJWPPBQSA-N 1 2 365.433 2.725 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149554 520225918 /nfs/dbraw/zinc/22/59/18/520225918.db2.gz QXSAUCSXOBPXDJ-VGOFRKELSA-N 1 2 363.461 2.955 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149554 520225921 /nfs/dbraw/zinc/22/59/21/520225921.db2.gz QXSAUCSXOBPXDJ-VGOFRKELSA-N 1 2 363.461 2.955 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000592149288 520226344 /nfs/dbraw/zinc/22/63/44/520226344.db2.gz MJMWTYFUMPWTKY-PMACEKPBSA-N 1 2 359.445 2.524 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000592149288 520226354 /nfs/dbraw/zinc/22/63/54/520226354.db2.gz MJMWTYFUMPWTKY-PMACEKPBSA-N 1 2 359.445 2.524 20 30 FFEDLO N#Cc1ccc(CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c(F)c1 ZINC000609240025 520242480 /nfs/dbraw/zinc/24/24/80/520242480.db2.gz KIKAFDQVYATXIW-UHFFFAOYSA-N 1 2 357.776 2.998 20 30 FFEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000600418374 520249744 /nfs/dbraw/zinc/24/97/44/520249744.db2.gz CPKOFVCFNXHXTA-GOSISDBHSA-N 1 2 365.433 2.605 20 30 FFEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000600418374 520249749 /nfs/dbraw/zinc/24/97/49/520249749.db2.gz CPKOFVCFNXHXTA-GOSISDBHSA-N 1 2 365.433 2.605 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](CC(=O)NCCc1ccc(C#N)cc1)C(F)(F)F ZINC000597889404 520307625 /nfs/dbraw/zinc/30/76/25/520307625.db2.gz GAMKWYDGRBOHBK-CQSZACIVSA-N 1 2 350.344 2.687 20 30 FFEDLO Cc1cccn2cc(CNC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)[nH+]c12 ZINC000609521840 520342630 /nfs/dbraw/zinc/34/26/30/520342630.db2.gz QQEUKENVEKQWPE-IBGZPJMESA-N 1 2 359.433 2.800 20 30 FFEDLO C[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1[nH+]ccn1C ZINC000595219617 520355846 /nfs/dbraw/zinc/35/58/46/520355846.db2.gz LHKLVHRPEUPLGM-QWHCGFSZSA-N 1 2 371.466 2.630 20 30 FFEDLO COc1ccc(F)cc1C[NH+]1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000603839497 520372154 /nfs/dbraw/zinc/37/21/54/520372154.db2.gz PEHNDFYWXJKYNR-UHFFFAOYSA-N 1 2 366.440 2.912 20 30 FFEDLO Cc1oc(NC(=O)C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c(C#N)c1C ZINC000603905090 520400412 /nfs/dbraw/zinc/40/04/12/520400412.db2.gz AVDDCLSSBPZBFY-IAGOWNOFSA-N 1 2 364.449 2.775 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000592522113 520436325 /nfs/dbraw/zinc/43/63/25/520436325.db2.gz HYEISFRSBLKJOT-MRXNPFEDSA-N 1 2 361.243 2.690 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000592522113 520436328 /nfs/dbraw/zinc/43/63/28/520436328.db2.gz HYEISFRSBLKJOT-MRXNPFEDSA-N 1 2 361.243 2.690 20 30 FFEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000604149491 520460625 /nfs/dbraw/zinc/46/06/25/520460625.db2.gz AKEDRIYYRBMUCF-FQEVSTJZSA-N 1 2 367.449 2.899 20 30 FFEDLO CCN(CCC#N)C(=O)C[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000604276919 520504530 /nfs/dbraw/zinc/50/45/30/520504530.db2.gz YMLZTPSIXZEQEC-GHMZBOCLSA-N 1 2 359.314 2.811 20 30 FFEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Br)cc1F ZINC000604438939 520563060 /nfs/dbraw/zinc/56/30/60/520563060.db2.gz HVTCDLHVYYTQLE-MRXNPFEDSA-N 1 2 368.250 2.828 20 30 FFEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Br)cc1F ZINC000604438939 520563064 /nfs/dbraw/zinc/56/30/64/520563064.db2.gz HVTCDLHVYYTQLE-MRXNPFEDSA-N 1 2 368.250 2.828 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1 ZINC000595686141 520650159 /nfs/dbraw/zinc/65/01/59/520650159.db2.gz QPFVKBHBBNTSOL-KRWDZBQOSA-N 1 2 363.465 2.584 20 30 FFEDLO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593018477 520688029 /nfs/dbraw/zinc/68/80/29/520688029.db2.gz GBSWMRRAUHDKEE-UHFFFAOYSA-N 1 2 364.405 2.991 20 30 FFEDLO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593018477 520688040 /nfs/dbraw/zinc/68/80/40/520688040.db2.gz GBSWMRRAUHDKEE-UHFFFAOYSA-N 1 2 364.405 2.991 20 30 FFEDLO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000610566022 520742677 /nfs/dbraw/zinc/74/26/77/520742677.db2.gz ASWAQBHMDBABPV-UZLBHIALSA-N 1 2 372.488 2.845 20 30 FFEDLO C[C@]1(C#N)CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000595844795 520761888 /nfs/dbraw/zinc/76/18/88/520761888.db2.gz VTNYZWSHEBMKFN-UKRRQHHQSA-N 1 2 357.223 2.563 20 30 FFEDLO C[C@]1(C#N)CC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000595844795 520761897 /nfs/dbraw/zinc/76/18/97/520761897.db2.gz VTNYZWSHEBMKFN-UKRRQHHQSA-N 1 2 357.223 2.563 20 30 FFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000595844285 520762399 /nfs/dbraw/zinc/76/23/99/520762399.db2.gz GJRJLTRFJIFWRP-TZQQIIETSA-N 1 2 371.481 2.906 20 30 FFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCOc2ccc(O)cc2C1 ZINC000595844285 520762407 /nfs/dbraw/zinc/76/24/07/520762407.db2.gz GJRJLTRFJIFWRP-TZQQIIETSA-N 1 2 371.481 2.906 20 30 FFEDLO COC(=O)[C@H]1C[C@@H]([N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000595849077 520765262 /nfs/dbraw/zinc/76/52/62/520765262.db2.gz ASAIKDDRNLXQLM-GASCZTMLSA-N 1 2 353.422 2.621 20 30 FFEDLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000595849077 520765268 /nfs/dbraw/zinc/76/52/68/520765268.db2.gz ASAIKDDRNLXQLM-GASCZTMLSA-N 1 2 353.422 2.621 20 30 FFEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000601425002 520781642 /nfs/dbraw/zinc/78/16/42/520781642.db2.gz JPMGLGGYXBUFIB-HNNXBMFYSA-N 1 2 362.430 2.511 20 30 FFEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000601425003 520782260 /nfs/dbraw/zinc/78/22/60/520782260.db2.gz JPMGLGGYXBUFIB-OAHLLOKOSA-N 1 2 362.430 2.511 20 30 FFEDLO CC[C@@H](Cc1ccccc1Br)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593154486 520785327 /nfs/dbraw/zinc/78/53/27/520785327.db2.gz WLDJDANCQMEOFI-SUMWQHHRSA-N 1 2 366.303 2.978 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2c(cncc2Br)s1 ZINC000593153661 520785459 /nfs/dbraw/zinc/78/54/59/520785459.db2.gz ZYJOWLISZPQGEK-CQSZACIVSA-N 1 2 367.272 2.632 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)s1 ZINC000610710176 520808558 /nfs/dbraw/zinc/80/85/58/520808558.db2.gz KGIPKYZIGRFFBV-UHFFFAOYSA-N 1 2 372.450 2.594 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000610944869 520913396 /nfs/dbraw/zinc/91/33/96/520913396.db2.gz GDJVXUNVLKPDBI-KBPBESRZSA-N 1 2 369.494 2.969 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000610944869 520913401 /nfs/dbraw/zinc/91/34/01/520913401.db2.gz GDJVXUNVLKPDBI-KBPBESRZSA-N 1 2 369.494 2.969 20 30 FFEDLO CN1CC[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000611009143 520943488 /nfs/dbraw/zinc/94/34/88/520943488.db2.gz FYVCUKKDOXSVFC-OAQYLSRUSA-N 1 2 374.488 2.826 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)CC2)cc1 ZINC000598977625 520955961 /nfs/dbraw/zinc/95/59/61/520955961.db2.gz NQRCNAWVOWRMJO-BHIFYINESA-N 1 2 357.457 2.788 20 30 FFEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)CCN1Cc1ccnc(C#N)c1 ZINC000611073773 520971243 /nfs/dbraw/zinc/97/12/43/520971243.db2.gz PKBFKPMNEGDPPI-JTSKRJEESA-N 1 2 374.492 2.952 20 30 FFEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCN1Cc1ccnc(C#N)c1 ZINC000611073773 520971246 /nfs/dbraw/zinc/97/12/46/520971246.db2.gz PKBFKPMNEGDPPI-JTSKRJEESA-N 1 2 374.492 2.952 20 30 FFEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccnc(C#N)c2)CCN1Cc1ccnc(C#N)c1 ZINC000611073774 520971721 /nfs/dbraw/zinc/97/17/21/520971721.db2.gz PKBFKPMNEGDPPI-VGOFRKELSA-N 1 2 374.492 2.952 20 30 FFEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCN1Cc1ccnc(C#N)c1 ZINC000611073774 520971727 /nfs/dbraw/zinc/97/17/27/520971727.db2.gz PKBFKPMNEGDPPI-VGOFRKELSA-N 1 2 374.492 2.952 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000611089802 520979686 /nfs/dbraw/zinc/97/96/86/520979686.db2.gz XMVGAPNEDRSPEO-IBGZPJMESA-N 1 2 356.447 2.875 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000611089802 520979693 /nfs/dbraw/zinc/97/96/93/520979693.db2.gz XMVGAPNEDRSPEO-IBGZPJMESA-N 1 2 356.447 2.875 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)NCC2(C#N)CCCC2)CC1 ZINC000593426772 520987217 /nfs/dbraw/zinc/98/72/17/520987217.db2.gz CTILWWZABQLYBV-UHFFFAOYSA-N 1 2 356.470 2.606 20 30 FFEDLO CC(C)Cc1ccc([C@H](C)NC(=O)C[NH+]2CCN(CCC#N)CC2)cc1 ZINC000611174865 521023744 /nfs/dbraw/zinc/02/37/44/521023744.db2.gz OGXWLUQZXPWOKA-SFHVURJKSA-N 1 2 356.514 2.594 20 30 FFEDLO CC(C)(C)c1n[nH]cc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000611259935 521063446 /nfs/dbraw/zinc/06/34/46/521063446.db2.gz GSDAEGRHEKLGIC-UHFFFAOYSA-N 1 2 354.458 2.766 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1C#N ZINC000611347103 521110368 /nfs/dbraw/zinc/11/03/68/521110368.db2.gz HJSATZDJHIIANJ-NVXWUHKLSA-N 1 2 364.371 2.940 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1C#N ZINC000611347103 521110372 /nfs/dbraw/zinc/11/03/72/521110372.db2.gz HJSATZDJHIIANJ-NVXWUHKLSA-N 1 2 364.371 2.940 20 30 FFEDLO CCc1cc(N2CCN([C@@H](C#N)C(C)C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000611413179 521143559 /nfs/dbraw/zinc/14/35/59/521143559.db2.gz WVRAYANVWCTTSE-SFHVURJKSA-N 1 2 350.470 2.771 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+](CCOc2ccccc2Br)CC1 ZINC000611432003 521151573 /nfs/dbraw/zinc/15/15/73/521151573.db2.gz JVLKSIAHNLSHBI-INIZCTEOSA-N 1 2 366.303 2.994 20 30 FFEDLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000611431987 521153094 /nfs/dbraw/zinc/15/30/94/521153094.db2.gz FYLZERSJHHRGOZ-UYAOXDASSA-N 1 2 356.514 2.589 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598739 521157200 /nfs/dbraw/zinc/15/72/00/521157200.db2.gz ONSCATKJLIPOLS-AWEZNQCLSA-N 1 2 351.454 2.703 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598739 521157209 /nfs/dbraw/zinc/15/72/09/521157209.db2.gz ONSCATKJLIPOLS-AWEZNQCLSA-N 1 2 351.454 2.703 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)c(C#N)c1C ZINC000596597816 521157741 /nfs/dbraw/zinc/15/77/41/521157741.db2.gz YHTDZVFIDSZOPE-UHFFFAOYSA-N 1 2 357.483 2.983 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)c(C#N)c1C ZINC000596597816 521157750 /nfs/dbraw/zinc/15/77/50/521157750.db2.gz YHTDZVFIDSZOPE-UHFFFAOYSA-N 1 2 357.483 2.983 20 30 FFEDLO CC(C)C[C@@H](C(=O)N1CCC(C#N)(c2ccccn2)CC1)n1cc[nH+]c1 ZINC000602148769 521172354 /nfs/dbraw/zinc/17/23/54/521172354.db2.gz AIZCQTVAOOXAHE-KRWDZBQOSA-N 1 2 351.454 2.949 20 30 FFEDLO COc1cc(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)ccc1C#N ZINC000602150614 521175471 /nfs/dbraw/zinc/17/54/71/521175471.db2.gz DHGWJZRJCDZFPH-CQSZACIVSA-N 1 2 352.316 2.573 20 30 FFEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c1 ZINC000618758474 521217333 /nfs/dbraw/zinc/21/73/33/521217333.db2.gz AVHOFPXZYVBZLP-INIZCTEOSA-N 1 2 354.385 2.574 20 30 FFEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c1 ZINC000618758474 521217342 /nfs/dbraw/zinc/21/73/42/521217342.db2.gz AVHOFPXZYVBZLP-INIZCTEOSA-N 1 2 354.385 2.574 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCN3c3ccccc3)CC2)cc1 ZINC000618791577 521236422 /nfs/dbraw/zinc/23/64/22/521236422.db2.gz QFOSYBJZBLDHKL-JOCHJYFZSA-N 1 2 374.488 2.871 20 30 FFEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599455532 521238710 /nfs/dbraw/zinc/23/87/10/521238710.db2.gz QZCIEAZMPYTZJX-MNEFBYGVSA-N 1 2 362.445 2.659 20 30 FFEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599455532 521238718 /nfs/dbraw/zinc/23/87/18/521238718.db2.gz QZCIEAZMPYTZJX-MNEFBYGVSA-N 1 2 362.445 2.659 20 30 FFEDLO CC(C)(C#N)CNC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000611688873 521281778 /nfs/dbraw/zinc/28/17/78/521281778.db2.gz MTERUBMKIIYJGY-UHFFFAOYSA-N 1 2 352.438 2.823 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000593959698 521316940 /nfs/dbraw/zinc/31/69/40/521316940.db2.gz QXDGXUYHBLXXME-UHFFFAOYSA-N 1 2 357.414 2.806 20 30 FFEDLO C[C@@]1(C#N)CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000615231306 521325879 /nfs/dbraw/zinc/32/58/79/521325879.db2.gz NSIOTODLBIPGPG-ZBFHGGJFSA-N 1 2 371.250 2.954 20 30 FFEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000615231306 521325883 /nfs/dbraw/zinc/32/58/83/521325883.db2.gz NSIOTODLBIPGPG-ZBFHGGJFSA-N 1 2 371.250 2.954 20 30 FFEDLO C[C@@]1(C#N)CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000615231303 521325975 /nfs/dbraw/zinc/32/59/75/521325975.db2.gz NSIOTODLBIPGPG-HOCLYGCPSA-N 1 2 371.250 2.954 20 30 FFEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000615231303 521325980 /nfs/dbraw/zinc/32/59/80/521325980.db2.gz NSIOTODLBIPGPG-HOCLYGCPSA-N 1 2 371.250 2.954 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)c(C#N)c1C ZINC000593997488 521338187 /nfs/dbraw/zinc/33/81/87/521338187.db2.gz KBDZZJYVUCJFSI-SUMWQHHRSA-N 1 2 369.469 2.954 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)c(C#N)c1C ZINC000593997488 521338199 /nfs/dbraw/zinc/33/81/99/521338199.db2.gz KBDZZJYVUCJFSI-SUMWQHHRSA-N 1 2 369.469 2.954 20 30 FFEDLO N#CC1(CNC(=O)N2CCC[N@H+](Cc3cscn3)CC2)CCCCC1 ZINC000596865655 521341398 /nfs/dbraw/zinc/34/13/98/521341398.db2.gz FOHLLZIZSDVJOO-UHFFFAOYSA-N 1 2 361.515 2.834 20 30 FFEDLO N#CC1(CNC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)CCCCC1 ZINC000596865655 521341408 /nfs/dbraw/zinc/34/14/08/521341408.db2.gz FOHLLZIZSDVJOO-UHFFFAOYSA-N 1 2 361.515 2.834 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000599632577 521344346 /nfs/dbraw/zinc/34/43/46/521344346.db2.gz BHSMGBIVHIOWJI-UYXZNNOOSA-N 1 2 373.522 2.536 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000599632577 521344354 /nfs/dbraw/zinc/34/43/54/521344354.db2.gz BHSMGBIVHIOWJI-UYXZNNOOSA-N 1 2 373.522 2.536 20 30 FFEDLO N#Cc1ccc(C2([NH2+]CC3=Nc4ccccc4S(=O)(=O)N3)CCC2)cc1 ZINC000594033039 521364379 /nfs/dbraw/zinc/36/43/79/521364379.db2.gz FDVZPFYLNWDFED-UHFFFAOYSA-N 1 2 366.446 2.549 20 30 FFEDLO N#CC1(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2ncco2)CCCCC1 ZINC000594057418 521377750 /nfs/dbraw/zinc/37/77/50/521377750.db2.gz DAPAOAGSFNXCTJ-KRWDZBQOSA-N 1 2 352.438 2.891 20 30 FFEDLO COc1cc(OC)cc([C@@H](NCc2cccc(C#N)n2)c2[nH+]ccn2C)c1 ZINC000602593196 521429450 /nfs/dbraw/zinc/42/94/50/521429450.db2.gz NKCUHGUSUAMVMC-LJQANCHMSA-N 1 2 363.421 2.583 20 30 FFEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@@](F)(C#N)C2)c(C)c1 ZINC000615593407 521459208 /nfs/dbraw/zinc/45/92/08/521459208.db2.gz YJXAQTLHWBVVJU-PKOBYXMFSA-N 1 2 355.417 2.888 20 30 FFEDLO Cc1cc(NCCNC(=O)Nc2ccc(C#N)c(F)c2)nc(C(C)C)[nH+]1 ZINC000599788725 521473545 /nfs/dbraw/zinc/47/35/45/521473545.db2.gz TXBDKIQVXHKKPZ-UHFFFAOYSA-N 1 2 356.405 2.575 20 30 FFEDLO COc1cc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(F)cc1C#N ZINC000599816037 521488172 /nfs/dbraw/zinc/48/81/72/521488172.db2.gz JBIIBEABQLKEFQ-ZDUSSCGKSA-N 1 2 355.373 2.501 20 30 FFEDLO Cn1cc[nH+]c1[C@H](CC(=O)NCc1ccc(C#N)cc1F)C(F)(F)F ZINC000594283343 521535126 /nfs/dbraw/zinc/53/51/26/521535126.db2.gz FYIGNCSQPCKVCB-LBPRGKRZSA-N 1 2 354.307 2.783 20 30 FFEDLO C[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@H](C)N1CC#N ZINC000602828710 521556531 /nfs/dbraw/zinc/55/65/31/521556531.db2.gz GCQAOSURTZRLMK-GJZGRUSLSA-N 1 2 352.442 2.537 20 30 FFEDLO COC(=O)c1ccc(COc2ccc(C[NH+]3CC(CC#N)C3)cc2OC)o1 ZINC000597204456 521572220 /nfs/dbraw/zinc/57/22/20/521572220.db2.gz WCEUOJOZFHRBDK-UHFFFAOYSA-N 1 2 370.405 2.999 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](C#N)c1ccccc1Br ZINC000597229051 521586232 /nfs/dbraw/zinc/58/62/32/521586232.db2.gz GLGISUOWKQBOAY-YRGRVCCFSA-N 1 2 359.227 2.667 20 30 FFEDLO N#CCc1cccc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000619475226 521586850 /nfs/dbraw/zinc/58/68/50/521586850.db2.gz BDEUDTUJSIJZKG-UHFFFAOYSA-N 1 2 360.826 2.532 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)NCC2(C#N)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000619531006 521755238 /nfs/dbraw/zinc/75/52/38/521755238.db2.gz WVWOUZSGRGPBQJ-GOEBONIOSA-N 1 2 366.387 2.842 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)NCC2(C#N)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000619531006 521755242 /nfs/dbraw/zinc/75/52/42/521755242.db2.gz WVWOUZSGRGPBQJ-GOEBONIOSA-N 1 2 366.387 2.842 20 30 FFEDLO C=C[C@H]([NH2+][C@H](C)CCc1ccc(I)cc1)C(=O)OC ZINC000619704347 521830924 /nfs/dbraw/zinc/83/09/24/521830924.db2.gz FSPSNQKSAAKHNN-RISCZKNCSA-N 1 2 373.234 2.930 20 30 FFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000619719630 521836944 /nfs/dbraw/zinc/83/69/44/521836944.db2.gz PWXKVYCOVOWZCZ-LJQANCHMSA-N 1 2 356.466 2.617 20 30 FFEDLO N#Cc1ccc(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cc1Cl ZINC000619746796 521852380 /nfs/dbraw/zinc/85/23/80/521852380.db2.gz PAEYGXVHGRROFM-CQSZACIVSA-N 1 2 357.845 2.822 20 30 FFEDLO N#Cc1ccc(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cc1Cl ZINC000619746796 521852385 /nfs/dbraw/zinc/85/23/85/521852385.db2.gz PAEYGXVHGRROFM-CQSZACIVSA-N 1 2 357.845 2.822 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000619782752 521868455 /nfs/dbraw/zinc/86/84/55/521868455.db2.gz GWETYHIMCVPIIN-INIZCTEOSA-N 1 2 356.397 2.526 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000619782752 521868463 /nfs/dbraw/zinc/86/84/63/521868463.db2.gz GWETYHIMCVPIIN-INIZCTEOSA-N 1 2 356.397 2.526 20 30 FFEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623266150 521897062 /nfs/dbraw/zinc/89/70/62/521897062.db2.gz SSJMUBNTVQTSFL-GFCCVEGCSA-N 1 2 351.328 2.821 20 30 FFEDLO C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[NH+](CCCF)CC1 ZINC000627956105 523235592 /nfs/dbraw/zinc/23/55/92/523235592.db2.gz QLKCXIHCLBSQAN-UHFFFAOYSA-N 1 2 372.444 2.555 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)c1C#N ZINC000530261246 562404595 /nfs/dbraw/zinc/40/45/95/562404595.db2.gz IMESFINDDFFBAZ-LSDHHAIUSA-N 1 2 355.417 2.705 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3CNC(=O)[O-])CC2)cc1 ZINC000833972062 606008082 /nfs/dbraw/zinc/00/80/82/606008082.db2.gz UGLOEKGQQLDBOR-AZUAARDMSA-N 1 2 370.497 2.939 20 30 FFEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)c1ccc(C#N)cc1 ZINC000824634264 608459560 /nfs/dbraw/zinc/45/95/60/608459560.db2.gz UUDMXINNVYNXJP-LBPRGKRZSA-N 1 2 372.392 2.639 20 30 FFEDLO N#Cc1cnc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c2sccc21 ZINC000601106317 673826396 /nfs/dbraw/zinc/82/63/96/673826396.db2.gz PEOZLDJAWYKBLL-KRWDZBQOSA-N 1 2 360.508 2.788 20 30 FFEDLO C#CCSCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000152891818 728767995 /nfs/dbraw/zinc/76/79/95/728767995.db2.gz OARBREIETAGRTN-ROUUACIJSA-N 1 2 354.479 2.777 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(OCCCO)CC1 ZINC000154824357 728813323 /nfs/dbraw/zinc/81/33/23/728813323.db2.gz VDIAGYLCORTENH-UHFFFAOYSA-N 1 2 364.511 2.767 20 30 FFEDLO C#CC[N@@H+](Cc1nnnn1-c1ccccc1Br)C1CCCC1 ZINC000155879236 728837837 /nfs/dbraw/zinc/83/78/37/728837837.db2.gz NUPYJZFJYJIROP-UHFFFAOYSA-N 1 2 360.259 2.803 20 30 FFEDLO C#CC[N@H+](Cc1nnnn1-c1ccccc1Br)C1CCCC1 ZINC000155879236 728837839 /nfs/dbraw/zinc/83/78/39/728837839.db2.gz NUPYJZFJYJIROP-UHFFFAOYSA-N 1 2 360.259 2.803 20 30 FFEDLO S=C1N=NC([C@@H]2CCCCO2)N1N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000743452248 735298965 /nfs/dbraw/zinc/29/89/65/735298965.db2.gz TUGRZJPMEZNEIQ-HNNXBMFYSA-N 1 2 354.439 2.876 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@@H+]2Cc3ccc(Br)cc3C2)CCOCC1 ZINC000859251953 730447142 /nfs/dbraw/zinc/44/71/42/730447142.db2.gz HDPFEMJBLMMGOT-MRXNPFEDSA-N 1 2 365.271 2.836 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@H+]2Cc3ccc(Br)cc3C2)CCOCC1 ZINC000859251953 730447143 /nfs/dbraw/zinc/44/71/43/730447143.db2.gz HDPFEMJBLMMGOT-MRXNPFEDSA-N 1 2 365.271 2.836 20 30 FFEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000866001818 731020508 /nfs/dbraw/zinc/02/05/08/731020508.db2.gz IFWUHSMJNPHGCR-OCCSQVGLSA-N 1 2 370.881 2.671 20 30 FFEDLO C[C@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1cccc(C#N)c1O ZINC000866397285 731055204 /nfs/dbraw/zinc/05/52/04/731055204.db2.gz GIRPWHHFMQTSGW-ZDUSSCGKSA-N 1 2 354.397 2.871 20 30 FFEDLO C=CCOCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660968503 732158457 /nfs/dbraw/zinc/15/84/57/732158457.db2.gz PIBPKTDINFKDKS-DLBZAZTESA-N 1 2 353.413 2.602 20 30 FFEDLO C=CCOCCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660968503 732158458 /nfs/dbraw/zinc/15/84/58/732158458.db2.gz PIBPKTDINFKDKS-DLBZAZTESA-N 1 2 353.413 2.602 20 30 FFEDLO CC[C@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1cccc(C#N)c1O ZINC000926905881 738666853 /nfs/dbraw/zinc/66/68/53/738666853.db2.gz PELKEZWBTWUADG-KRWDZBQOSA-N 1 2 358.463 2.951 20 30 FFEDLO CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000926911462 738668144 /nfs/dbraw/zinc/66/81/44/738668144.db2.gz NREFSFBSBFRLKD-AWEZNQCLSA-N 1 2 358.463 2.951 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc(C2SCCS2)c1 ZINC000884060160 733474245 /nfs/dbraw/zinc/47/42/45/733474245.db2.gz QHKHZMJYDGLZLM-ZDUSSCGKSA-N 1 2 352.481 2.550 20 30 FFEDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(CCC#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000885057387 733617566 /nfs/dbraw/zinc/61/75/66/733617566.db2.gz MRDHLCNDAVHZGX-QAPCUYQASA-N 1 2 358.467 2.611 20 30 FFEDLO NC(=[NH+]OCC(=O)NCC1CCCCC1)c1ccc(Br)cc1 ZINC000782949750 738767418 /nfs/dbraw/zinc/76/74/18/738767418.db2.gz YQEYFYFQZBKJHR-UHFFFAOYSA-N 1 2 368.275 2.783 20 30 FFEDLO C[NH+](C)[C@H](C(=O)N1CCC2(CC1)CC(=O)C=CO2)c1cccc(Cl)c1 ZINC000887779428 733975232 /nfs/dbraw/zinc/97/52/32/733975232.db2.gz PZXWHWKQYNQSKI-KRWDZBQOSA-N 1 2 362.857 2.807 20 30 FFEDLO C[N@@H+]1CCO[C@H]([C@@H](NCc2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000783294840 738798673 /nfs/dbraw/zinc/79/86/73/738798673.db2.gz WZFICMJNGJEXFI-OALUTQOASA-N 1 2 356.857 2.768 20 30 FFEDLO C[N@H+]1CCO[C@H]([C@@H](NCc2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000783294840 738798677 /nfs/dbraw/zinc/79/86/77/738798677.db2.gz WZFICMJNGJEXFI-OALUTQOASA-N 1 2 356.857 2.768 20 30 FFEDLO CN1CCO[C@H]([C@@H]([NH2+]Cc2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000783294840 738798681 /nfs/dbraw/zinc/79/86/81/738798681.db2.gz WZFICMJNGJEXFI-OALUTQOASA-N 1 2 356.857 2.768 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnn(Cc3ccccc3Cl)c2)C1=O ZINC000684966491 734285577 /nfs/dbraw/zinc/28/55/77/734285577.db2.gz HPHOCNZWNYSCKG-GOSISDBHSA-N 1 2 358.873 2.804 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnn(Cc3ccccc3Cl)c2)C1=O ZINC000684966491 734285580 /nfs/dbraw/zinc/28/55/80/734285580.db2.gz HPHOCNZWNYSCKG-GOSISDBHSA-N 1 2 358.873 2.804 20 30 FFEDLO CN(C)c1ccc(C=[NH+]Nc2ccc(S(=O)(=O)NC3CC3)cc2)s1 ZINC000726424099 734422895 /nfs/dbraw/zinc/42/28/95/734422895.db2.gz UNZLXBZYBOHAHJ-UHFFFAOYSA-N 1 2 364.496 2.701 20 30 FFEDLO O=C1C[C@H](c2ccc(Cl)cc2)N1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902599631 735967233 /nfs/dbraw/zinc/96/72/33/735967233.db2.gz IGGZPEDQZJSSBW-QGZVFWFLSA-N 1 2 360.841 2.909 20 30 FFEDLO C#C[C@H](CC)NC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000753195594 736045191 /nfs/dbraw/zinc/04/51/91/736045191.db2.gz YSGQSTBDZWAJCM-SRCQZFHVSA-N 1 2 353.388 2.950 20 30 FFEDLO C#C[C@H](CC)NC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000753195594 736045196 /nfs/dbraw/zinc/04/51/96/736045196.db2.gz YSGQSTBDZWAJCM-SRCQZFHVSA-N 1 2 353.388 2.950 20 30 FFEDLO C=C(Cl)C[NH2+][C@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000753680333 736086532 /nfs/dbraw/zinc/08/65/32/736086532.db2.gz SNAAOSJKRVYRNC-MRXNPFEDSA-N 1 2 356.297 2.921 20 30 FFEDLO C[C@H]([NH2+]C1CCN(CC#N)CC1)c1cc(Br)cc(F)c1O ZINC000756555384 736342382 /nfs/dbraw/zinc/34/23/82/736342382.db2.gz TZUMVYYSJAKGMS-JTQLQIEISA-N 1 2 356.239 2.932 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2c(C#N)sc3ccccc32)C1 ZINC000907074882 736579990 /nfs/dbraw/zinc/57/99/90/736579990.db2.gz SVQQPYCRZRXYKR-GFCCVEGCSA-N 1 2 372.475 2.685 20 30 FFEDLO O=C1c2cc(Br)cc([N+](=O)[O-])c2OC/C1=C/c1[nH]cc[nH+]1 ZINC000761810920 736762856 /nfs/dbraw/zinc/76/28/56/736762856.db2.gz WALDLNZRSJRDMD-CLTKARDFSA-N 1 2 350.128 2.739 20 30 FFEDLO C[C@H]1CC(=NNS(=O)(=O)c2ccccc2)C[N@@H+](Cc2ccccc2)C1 ZINC000767359328 737317984 /nfs/dbraw/zinc/31/79/84/737317984.db2.gz GBFIOWCBYMUDBJ-INIZCTEOSA-N 1 2 357.479 2.863 20 30 FFEDLO C[C@H]1CC(=NNS(=O)(=O)c2ccccc2)C[N@H+](Cc2ccccc2)C1 ZINC000767359328 737317985 /nfs/dbraw/zinc/31/79/85/737317985.db2.gz GBFIOWCBYMUDBJ-INIZCTEOSA-N 1 2 357.479 2.863 20 30 FFEDLO Cc1cc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1C#N ZINC000767489077 737331314 /nfs/dbraw/zinc/33/13/14/737331314.db2.gz FUNNYZJVZLHDPP-UHFFFAOYSA-N 1 2 352.419 2.531 20 30 FFEDLO C#C[C@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)[C@@H]1CCCO1 ZINC000775352627 738085882 /nfs/dbraw/zinc/08/58/82/738085882.db2.gz YCZWRXMDCABGLS-HOTGVXAUSA-N 1 2 351.237 2.845 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)[C@@H]1CCCO1 ZINC000775350748 738085949 /nfs/dbraw/zinc/08/59/49/738085949.db2.gz QMAJSCRMECWHGQ-ZBFHGGJFSA-N 1 2 351.237 2.845 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000795050776 739955462 /nfs/dbraw/zinc/95/54/62/739955462.db2.gz NWQYRFCWNFKQHO-GOSISDBHSA-N 1 2 360.820 2.601 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000795133563 739971220 /nfs/dbraw/zinc/97/12/20/739971220.db2.gz VTBCZPYRHYKTMR-DOMZBBRYSA-N 1 2 364.902 2.703 20 30 FFEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000801912762 740663052 /nfs/dbraw/zinc/66/30/52/740663052.db2.gz CIGNAAAMRLFYSU-GFCCVEGCSA-N 1 2 356.253 2.680 20 30 FFEDLO C[C@H](C#N)OCC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000801912369 740663095 /nfs/dbraw/zinc/66/30/95/740663095.db2.gz ONMDUXSATHPLDB-GFCCVEGCSA-N 1 2 358.305 2.557 20 30 FFEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)C2)C1 ZINC000972594062 740839224 /nfs/dbraw/zinc/83/92/24/740839224.db2.gz QADHFKFVDZLVPB-NSHGMRRFSA-N 1 2 360.885 2.933 20 30 FFEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)C2)C1 ZINC000972594062 740839226 /nfs/dbraw/zinc/83/92/26/740839226.db2.gz QADHFKFVDZLVPB-NSHGMRRFSA-N 1 2 360.885 2.933 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2nc(Br)sc2C2CC2)CC1 ZINC000806594276 741071972 /nfs/dbraw/zinc/07/19/72/741071972.db2.gz OJCUEXHUBLAJDG-UHFFFAOYSA-N 1 2 368.300 2.564 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2nc(C)cs2)CC1(C)C ZINC000977327369 741074298 /nfs/dbraw/zinc/07/42/98/741074298.db2.gz OFXAZFDVGOPFKS-ZOBUZTSGSA-N 1 2 363.527 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@@H+](Cc2nc(C)cs2)CC1(C)C ZINC000977327369 741074303 /nfs/dbraw/zinc/07/43/03/741074303.db2.gz OFXAZFDVGOPFKS-ZOBUZTSGSA-N 1 2 363.527 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](Cc1nccs1)C2 ZINC000981776866 741172478 /nfs/dbraw/zinc/17/24/78/741172478.db2.gz ZIIQRFNOMBYNOB-CVEARBPZSA-N 1 2 361.511 2.549 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](Cc1nccs1)C2 ZINC000981776866 741172482 /nfs/dbraw/zinc/17/24/82/741172482.db2.gz ZIIQRFNOMBYNOB-CVEARBPZSA-N 1 2 361.511 2.549 20 30 FFEDLO C#CCCS(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000808306357 741209616 /nfs/dbraw/zinc/20/96/16/741209616.db2.gz SEBDPHZOUGJLEO-DLBZAZTESA-N 1 2 372.893 2.946 20 30 FFEDLO C#CCCS(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000808306357 741209618 /nfs/dbraw/zinc/20/96/18/741209618.db2.gz SEBDPHZOUGJLEO-DLBZAZTESA-N 1 2 372.893 2.946 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2nc(C#N)cs2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810164511 741394105 /nfs/dbraw/zinc/39/41/05/741394105.db2.gz IRODRDZHPNFNAY-SJKOYZFVSA-N 1 2 350.488 2.997 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810164511 741394109 /nfs/dbraw/zinc/39/41/09/741394109.db2.gz IRODRDZHPNFNAY-SJKOYZFVSA-N 1 2 350.488 2.997 20 30 FFEDLO N#CCCNC(=O)C[N@@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000817299069 742120769 /nfs/dbraw/zinc/12/07/69/742120769.db2.gz UAXDOIDDCYMBAL-INIZCTEOSA-N 1 2 364.287 2.876 20 30 FFEDLO N#CCCNC(=O)C[N@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000817299069 742120768 /nfs/dbraw/zinc/12/07/68/742120768.db2.gz UAXDOIDDCYMBAL-INIZCTEOSA-N 1 2 364.287 2.876 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+](Cc2csc(C)n2)CC1 ZINC001003772511 742215133 /nfs/dbraw/zinc/21/51/33/742215133.db2.gz UTOPJPQUXVOXHZ-ROUUACIJSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001015722105 742478884 /nfs/dbraw/zinc/47/88/84/742478884.db2.gz SRFGBVQMCYCIHD-UXLLHSPISA-N 1 2 352.837 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001015722105 742478889 /nfs/dbraw/zinc/47/88/89/742478889.db2.gz SRFGBVQMCYCIHD-UXLLHSPISA-N 1 2 352.837 2.761 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC(=C)Br)C1 ZINC001027415646 742768321 /nfs/dbraw/zinc/76/83/21/742768321.db2.gz NZEAFFMGVMTAQV-XHSDSOJGSA-N 1 2 371.319 2.799 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC(=C)Br)C1 ZINC001027415646 742768326 /nfs/dbraw/zinc/76/83/26/742768326.db2.gz NZEAFFMGVMTAQV-XHSDSOJGSA-N 1 2 371.319 2.799 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncc(C)s1 ZINC001028190136 742789528 /nfs/dbraw/zinc/78/95/28/742789528.db2.gz NLAAVJODHWTBOU-BQFCYCMXSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ncc(C)s1 ZINC001028190136 742789530 /nfs/dbraw/zinc/78/95/30/742789530.db2.gz NLAAVJODHWTBOU-BQFCYCMXSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC001031989845 742854493 /nfs/dbraw/zinc/85/44/93/742854493.db2.gz BAKCRKXPAVTXQO-XZOAIXRZSA-N 1 2 350.409 2.665 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1c(C)nsc1C ZINC001038800238 742986166 /nfs/dbraw/zinc/98/61/66/742986166.db2.gz QYUIXJUWNYYCAT-RYRKJORJSA-N 1 2 363.527 2.822 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1c(C)nsc1C ZINC001038800238 742986168 /nfs/dbraw/zinc/98/61/68/742986168.db2.gz QYUIXJUWNYYCAT-RYRKJORJSA-N 1 2 363.527 2.822 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](C/C(Cl)=C\Cl)C2)C1 ZINC001041696246 743050860 /nfs/dbraw/zinc/05/08/60/743050860.db2.gz MPVWMNZQXOSYKH-QLGFTUQESA-N 1 2 359.297 2.821 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](C/C(Cl)=C\Cl)C2)C1 ZINC001041696246 743050871 /nfs/dbraw/zinc/05/08/71/743050871.db2.gz MPVWMNZQXOSYKH-QLGFTUQESA-N 1 2 359.297 2.821 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000824867374 743167815 /nfs/dbraw/zinc/16/78/15/743167815.db2.gz NUIPXGAZQGFWPF-UHFFFAOYSA-N 1 2 356.344 2.906 20 30 FFEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001045505640 743282019 /nfs/dbraw/zinc/28/20/19/743282019.db2.gz OOQHAXFVIMCEFI-SOUVJXGZSA-N 1 2 371.319 2.681 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(Br)cc3O)CC2)n1 ZINC000825520216 743288539 /nfs/dbraw/zinc/28/85/39/743288539.db2.gz WVQYWKYQFADRFE-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001046642017 743335809 /nfs/dbraw/zinc/33/58/09/743335809.db2.gz BAVDTAUZFRRNPF-XJKCOSOUSA-N 1 2 353.260 2.872 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001046642017 743335812 /nfs/dbraw/zinc/33/58/12/743335812.db2.gz BAVDTAUZFRRNPF-XJKCOSOUSA-N 1 2 353.260 2.872 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)CO2 ZINC001053848329 744999841 /nfs/dbraw/zinc/99/98/41/744999841.db2.gz XZPKRQDBJNKHQK-ZNMIVQPWSA-N 1 2 360.420 2.891 20 30 FFEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000830589717 745389364 /nfs/dbraw/zinc/38/93/64/745389364.db2.gz PCRSDUYARVEMIF-CQSZACIVSA-N 1 2 366.259 2.983 20 30 FFEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000830589717 745389367 /nfs/dbraw/zinc/38/93/67/745389367.db2.gz PCRSDUYARVEMIF-CQSZACIVSA-N 1 2 366.259 2.983 20 30 FFEDLO C#C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000833230325 745779552 /nfs/dbraw/zinc/77/95/52/745779552.db2.gz BTUUCIZKTKCORD-UKRRQHHQSA-N 1 2 358.239 2.699 20 30 FFEDLO CN(C)S(=O)(=O)c1ccccc1N[NH+]=C1CCCc2cc(N)ccc21 ZINC000834981833 745930015 /nfs/dbraw/zinc/93/00/15/745930015.db2.gz BSPGZVITOHVHEC-UHFFFAOYSA-N 1 2 358.467 2.672 20 30 FFEDLO C=CCCOC(=O)[C@@H](C)OC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000835830212 746088459 /nfs/dbraw/zinc/08/84/59/746088459.db2.gz FXELDHJECGYHSR-SNVBAGLBSA-N 1 2 352.337 2.674 20 30 FFEDLO C#C[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)[C@@H]1CCCO1 ZINC000839562626 746856950 /nfs/dbraw/zinc/85/69/50/746856950.db2.gz BMHHWFGXPQGZQN-JSGCOSHPSA-N 1 2 355.419 2.927 20 30 FFEDLO C#CCNC(=O)C1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000840251293 747048518 /nfs/dbraw/zinc/04/85/18/747048518.db2.gz ISMDXXDHHCXXGO-UHFFFAOYSA-N 1 2 372.266 2.963 20 30 FFEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1 ZINC000847031424 748602526 /nfs/dbraw/zinc/60/25/26/748602526.db2.gz QPTCGRCBNMAUJJ-LLVKDONJSA-N 1 2 350.344 2.865 20 30 FFEDLO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1 ZINC000847031424 748602529 /nfs/dbraw/zinc/60/25/29/748602529.db2.gz QPTCGRCBNMAUJJ-LLVKDONJSA-N 1 2 350.344 2.865 20 30 FFEDLO N#Cc1ccc(C2([NH2+]CC3=NS(=O)(=O)c4ccccc43)CCC2)cc1 ZINC000852217805 749805443 /nfs/dbraw/zinc/80/54/43/749805443.db2.gz NFCOFTZEVXKSCS-UHFFFAOYSA-N 1 2 351.431 2.719 20 30 FFEDLO N#Cc1ccc([C@H](O)C[NH+]2CC(O)(c3ccc(Br)cc3)C2)cc1 ZINC000852727802 749934988 /nfs/dbraw/zinc/93/49/88/749934988.db2.gz QRDOTXNISAAHPW-QGZVFWFLSA-N 1 2 373.250 2.558 20 30 FFEDLO C#CCC[N@@H+](CCOC)Cc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000852750903 749943151 /nfs/dbraw/zinc/94/31/51/749943151.db2.gz IWCWKCNQUNDLDJ-ZDUSSCGKSA-N 1 2 358.511 2.870 20 30 FFEDLO C#CCC[N@H+](CCOC)Cc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000852750903 749943159 /nfs/dbraw/zinc/94/31/59/749943159.db2.gz IWCWKCNQUNDLDJ-ZDUSSCGKSA-N 1 2 358.511 2.870 20 30 FFEDLO C#CCC[N@@H+](CCOC)Cc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000852750902 749943522 /nfs/dbraw/zinc/94/35/22/749943522.db2.gz IWCWKCNQUNDLDJ-CYBMUJFWSA-N 1 2 358.511 2.870 20 30 FFEDLO C#CCC[N@H+](CCOC)Cc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000852750902 749943526 /nfs/dbraw/zinc/94/35/26/749943526.db2.gz IWCWKCNQUNDLDJ-CYBMUJFWSA-N 1 2 358.511 2.870 20 30 FFEDLO C#CCOCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000853011966 749983502 /nfs/dbraw/zinc/98/35/02/749983502.db2.gz OBVCFYPWZGPXIN-UHFFFAOYSA-N 1 2 356.495 2.995 20 30 FFEDLO C[N@H+](CC(F)F)C1CCN(c2cc(Br)cnc2C#N)CC1 ZINC000853412975 750057430 /nfs/dbraw/zinc/05/74/30/750057430.db2.gz NFJMNWSZQUPJSE-UHFFFAOYSA-N 1 2 359.218 2.881 20 30 FFEDLO C[N@@H+](CC(F)F)C1CCN(c2cc(Br)cnc2C#N)CC1 ZINC000853412975 750057437 /nfs/dbraw/zinc/05/74/37/750057437.db2.gz NFJMNWSZQUPJSE-UHFFFAOYSA-N 1 2 359.218 2.881 20 30 FFEDLO C#CC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)o1)[C@@H]1CCc2ccccc21 ZINC000052846216 845261724 /nfs/dbraw/zinc/26/17/24/845261724.db2.gz OVORHJHJQDWBJK-GOSISDBHSA-N 1 2 358.463 2.653 20 30 FFEDLO C#CC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)o1)[C@@H]1CCc2ccccc21 ZINC000052846216 845261734 /nfs/dbraw/zinc/26/17/34/845261734.db2.gz OVORHJHJQDWBJK-GOSISDBHSA-N 1 2 358.463 2.653 20 30 FFEDLO Cc1ccc(C#N)c(NC[C@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001105001416 971331356 /nfs/dbraw/zinc/33/13/56/971331356.db2.gz ICAGOSKAMQTJLF-GVDBMIGSSA-N 1 2 366.469 2.731 20 30 FFEDLO Cc1ccc(C#N)c(NC[C@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC001105001416 971331361 /nfs/dbraw/zinc/33/13/61/971331361.db2.gz ICAGOSKAMQTJLF-GVDBMIGSSA-N 1 2 366.469 2.731 20 30 FFEDLO N#Cc1ccc(N[C@H]2CCC[N@H+](Cc3cn(Cc4ccccc4)nn3)C2)nc1 ZINC000896652852 971651903 /nfs/dbraw/zinc/65/19/03/971651903.db2.gz VKGSLIPTLJITDB-IBGZPJMESA-N 1 2 373.464 2.670 20 30 FFEDLO N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3cn(Cc4ccccc4)nn3)C2)nc1 ZINC000896652852 971651909 /nfs/dbraw/zinc/65/19/09/971651909.db2.gz VKGSLIPTLJITDB-IBGZPJMESA-N 1 2 373.464 2.670 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3CCN(C(=O)C[C@H](C)n4cc[nH+]c4)C[C@H]32)CC1 ZINC000975018781 972314879 /nfs/dbraw/zinc/31/48/79/972314879.db2.gz RPLXVZRFCUATDX-QXAKKESOSA-N 1 2 370.497 2.640 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ncoc2C(C)C)CC1(C)C ZINC000975060482 972332150 /nfs/dbraw/zinc/33/21/50/972332150.db2.gz CHDVSCIIUYJPDA-HYVNUMGLSA-N 1 2 361.486 2.716 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ncoc2C(C)C)CC1(C)C ZINC000975060482 972332153 /nfs/dbraw/zinc/33/21/53/972332153.db2.gz CHDVSCIIUYJPDA-HYVNUMGLSA-N 1 2 361.486 2.716 20 30 FFEDLO C=CCCN(OCc1ccccc1)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000187152072 959388033 /nfs/dbraw/zinc/38/80/33/959388033.db2.gz NVUPCGGGRBFKJR-ROUUACIJSA-N 1 2 361.486 2.815 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)c2ccccc2)C[C@H]1C ZINC001208964077 959893699 /nfs/dbraw/zinc/89/36/99/959893699.db2.gz RSJAOEQJAXKUKH-SJLPKXTDSA-N 1 2 357.498 2.688 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)c2ccccc2)C[C@H]1C ZINC001208964077 959893705 /nfs/dbraw/zinc/89/37/05/959893705.db2.gz RSJAOEQJAXKUKH-SJLPKXTDSA-N 1 2 357.498 2.688 20 30 FFEDLO C=CCCCN(CC)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000890810327 960586127 /nfs/dbraw/zinc/58/61/27/960586127.db2.gz SGGQVYPRWAHSBN-SFHVURJKSA-N 1 2 360.502 2.832 20 30 FFEDLO C=CCCCN(CC)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000890810327 960586145 /nfs/dbraw/zinc/58/61/45/960586145.db2.gz SGGQVYPRWAHSBN-SFHVURJKSA-N 1 2 360.502 2.832 20 30 FFEDLO C=CCCCN(CC)C(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000890811557 960591033 /nfs/dbraw/zinc/59/10/33/960591033.db2.gz AJQWCDBKLGIOMX-VQIMIIECSA-N 1 2 360.502 2.925 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccc(OC)c(C(C)C)c1)C2 ZINC001275929773 1013199927 /nfs/dbraw/zinc/19/99/27/1013199927.db2.gz HFYOVYNJMZFVPV-UHFFFAOYSA-N 1 2 358.482 2.808 20 30 FFEDLO N#Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cscn2)c1 ZINC001275967386 1013240608 /nfs/dbraw/zinc/24/06/08/1013240608.db2.gz SWSMYMNWHJPUOG-QZTJIDSGSA-N 1 2 352.463 2.780 20 30 FFEDLO N#Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2cscn2)c1 ZINC001275967386 1013240615 /nfs/dbraw/zinc/24/06/15/1013240615.db2.gz SWSMYMNWHJPUOG-QZTJIDSGSA-N 1 2 352.463 2.780 20 30 FFEDLO C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c3noc(C)n3)C2)CCC1 ZINC001104279521 961430983 /nfs/dbraw/zinc/43/09/83/961430983.db2.gz CNVGFCWUOHAQJW-HLLBOEOZSA-N 1 2 358.486 2.707 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)NCC(C)C)CC2)c(C#N)c1C ZINC000891010931 961531116 /nfs/dbraw/zinc/53/11/16/961531116.db2.gz BYWJSUXGQRMIQQ-AWEZNQCLSA-N 1 2 374.485 2.579 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(F)cc2F)C1 ZINC000970569596 961735663 /nfs/dbraw/zinc/73/56/63/961735663.db2.gz BSXWBNQLPSRGNB-IXDGSTSKSA-N 1 2 364.436 2.883 20 30 FFEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cnc(Br)s1)CC2 ZINC001276010671 1013282560 /nfs/dbraw/zinc/28/25/60/1013282560.db2.gz POMSSJXCUNWIDI-GFCCVEGCSA-N 1 2 370.316 2.810 20 30 FFEDLO CCOC(=O)C[N@H+](CCc1ccccc1)C[C@@H](O)c1cccc(C#N)c1 ZINC001167330061 961951543 /nfs/dbraw/zinc/95/15/43/961951543.db2.gz SGNOSLTWJIQCLA-HXUWFJFHSA-N 1 2 352.434 2.699 20 30 FFEDLO CCOC(=O)C[N@@H+](CCc1ccccc1)C[C@@H](O)c1cccc(C#N)c1 ZINC001167330061 961951561 /nfs/dbraw/zinc/95/15/61/961951561.db2.gz SGNOSLTWJIQCLA-HXUWFJFHSA-N 1 2 352.434 2.699 20 30 FFEDLO NC(=[NH+]OCC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000049874277 962015903 /nfs/dbraw/zinc/01/59/03/962015903.db2.gz DKGUDIXXUHDLOX-UHFFFAOYSA-N 1 2 352.438 2.953 20 30 FFEDLO C=CCN1C(=O)CC[C@]12CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC001151970585 1032072422 /nfs/dbraw/zinc/07/24/22/1032072422.db2.gz SPXSGXBUUSKYIZ-FQEVSTJZSA-N 1 2 352.438 2.736 20 30 FFEDLO CCc1cc(NC(=O)c2cc3n(n2)CCC[N@H+](C)C3)cc(CC)c1C#N ZINC001175087839 1013387187 /nfs/dbraw/zinc/38/71/87/1013387187.db2.gz APFNJMREMWWADH-UHFFFAOYSA-N 1 2 351.454 2.967 20 30 FFEDLO CCc1cc(NC(=O)c2cc3n(n2)CCC[N@@H+](C)C3)cc(CC)c1C#N ZINC001175087839 1013387197 /nfs/dbraw/zinc/38/71/97/1013387197.db2.gz APFNJMREMWWADH-UHFFFAOYSA-N 1 2 351.454 2.967 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c1C#N ZINC000933056141 963390648 /nfs/dbraw/zinc/39/06/48/963390648.db2.gz INEZANZNTJYOFF-GOSISDBHSA-N 1 2 366.465 2.558 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110183486 1013419799 /nfs/dbraw/zinc/41/97/99/1013419799.db2.gz WJIDUHNQZGYLOS-OLQIXAPSSA-N 1 2 357.429 2.510 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110183486 1013419807 /nfs/dbraw/zinc/41/98/07/1013419807.db2.gz WJIDUHNQZGYLOS-OLQIXAPSSA-N 1 2 357.429 2.510 20 30 FFEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)CCCCC1 ZINC000077381805 963716606 /nfs/dbraw/zinc/71/66/06/963716606.db2.gz CYWUWLMEJMEOLR-INIZCTEOSA-N 1 2 355.438 2.895 20 30 FFEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)CCCCC1 ZINC000077381805 963716607 /nfs/dbraw/zinc/71/66/07/963716607.db2.gz CYWUWLMEJMEOLR-INIZCTEOSA-N 1 2 355.438 2.895 20 30 FFEDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000072979222 963921859 /nfs/dbraw/zinc/92/18/59/963921859.db2.gz PMSGLDGKGMOERB-DLBZAZTESA-N 1 2 364.449 2.971 20 30 FFEDLO CC(C)C[C@H]1COCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000072979222 963921863 /nfs/dbraw/zinc/92/18/63/963921863.db2.gz PMSGLDGKGMOERB-DLBZAZTESA-N 1 2 364.449 2.971 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001022074407 964233463 /nfs/dbraw/zinc/23/34/63/964233463.db2.gz DOZGDQMBEBXRNY-KBXCAEBGSA-N 1 2 366.465 2.838 20 30 FFEDLO CC(C)(C)c1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)no1 ZINC001075709714 964369680 /nfs/dbraw/zinc/36/96/80/964369680.db2.gz OJXDPAXUAMFFMQ-SUMWQHHRSA-N 1 2 367.453 2.518 20 30 FFEDLO CC(C)(C)c1cc(C[N@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)no1 ZINC001075709714 964369694 /nfs/dbraw/zinc/36/96/94/964369694.db2.gz OJXDPAXUAMFFMQ-SUMWQHHRSA-N 1 2 367.453 2.518 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nocc1C ZINC000960912994 1013520089 /nfs/dbraw/zinc/52/00/89/1013520089.db2.gz PEFFUQWHPMOERD-AOIWGVFYSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nocc1C ZINC000960912994 1013520098 /nfs/dbraw/zinc/52/00/98/1013520098.db2.gz PEFFUQWHPMOERD-AOIWGVFYSA-N 1 2 361.486 2.777 20 30 FFEDLO CCc1cc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)nc(CC)[nH+]1 ZINC000891771664 965047095 /nfs/dbraw/zinc/04/70/95/965047095.db2.gz ZEFAMYBABKHNEK-UHFFFAOYSA-N 1 2 352.442 2.665 20 30 FFEDLO N#Cc1cnn(C2CCOCC2)c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175711266 1013550600 /nfs/dbraw/zinc/55/06/00/1013550600.db2.gz UCOFOSJYFZMELY-UHFFFAOYSA-N 1 2 352.320 2.846 20 30 FFEDLO Cc1nc(N2CCN(C(=O)Nc3ccc(C#N)cc3C3CC3)CC2)cc[nH+]1 ZINC000933846825 965265105 /nfs/dbraw/zinc/26/51/05/965265105.db2.gz FOFPWTFOPBQXPS-UHFFFAOYSA-N 1 2 362.437 2.888 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cnoc2C2CC2)C1 ZINC001087468950 965283727 /nfs/dbraw/zinc/28/37/27/965283727.db2.gz AJSZBYMKSRDBHS-IEBWSBKVSA-N 1 2 367.424 2.912 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cnoc2C2CC2)C1 ZINC001087468950 965283733 /nfs/dbraw/zinc/28/37/33/965283733.db2.gz AJSZBYMKSRDBHS-IEBWSBKVSA-N 1 2 367.424 2.912 20 30 FFEDLO C=CCC(C)(C)C(=O)NC12CC(C(=O)Nc3cccc4[nH+]ccn43)(C1)C2 ZINC001270610031 965292482 /nfs/dbraw/zinc/29/24/82/965292482.db2.gz JTBRKIZUPDYRQJ-UHFFFAOYSA-N 1 2 352.438 2.914 20 30 FFEDLO COC(=O)COc1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000892245680 966371980 /nfs/dbraw/zinc/37/19/80/966371980.db2.gz YOIPKUPPVUJQLC-HXUWFJFHSA-N 1 2 366.417 2.684 20 30 FFEDLO COC(=O)COc1ccccc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000892245680 966371989 /nfs/dbraw/zinc/37/19/89/966371989.db2.gz YOIPKUPPVUJQLC-HXUWFJFHSA-N 1 2 366.417 2.684 20 30 FFEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](c4ccccc4)C3(C)C)C2)C1 ZINC000972386340 966902550 /nfs/dbraw/zinc/90/25/50/966902550.db2.gz BQCUVPHYHPFSJO-XQBPLPMBSA-N 1 2 354.494 2.916 20 30 FFEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](c4ccccc4)C3(C)C)C2)C1 ZINC000972386340 966902557 /nfs/dbraw/zinc/90/25/57/966902557.db2.gz BQCUVPHYHPFSJO-XQBPLPMBSA-N 1 2 354.494 2.916 20 30 FFEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000895068018 967358775 /nfs/dbraw/zinc/35/87/75/967358775.db2.gz DZYAYZPGKOKEBV-UHFFFAOYSA-N 1 2 359.433 2.583 20 30 FFEDLO C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000108588956 967471995 /nfs/dbraw/zinc/47/19/95/967471995.db2.gz CEQOZFQNGIBHRI-UHFFFAOYSA-N 1 2 372.428 2.623 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccncc2C)[C@H]1CC ZINC001087562538 968149959 /nfs/dbraw/zinc/14/99/59/968149959.db2.gz DLOIFXKHGYRCIY-LSDHHAIUSA-N 1 2 352.276 2.881 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccncc2C)[C@H]1CC ZINC001087562538 968149966 /nfs/dbraw/zinc/14/99/66/968149966.db2.gz DLOIFXKHGYRCIY-LSDHHAIUSA-N 1 2 352.276 2.881 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)[C@H]1CC ZINC001087575035 968216777 /nfs/dbraw/zinc/21/67/77/968216777.db2.gz LRQOBWPVXXOHNI-JONQDZQNSA-N 1 2 373.335 2.925 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)[C@H]1CC ZINC001087575035 968216784 /nfs/dbraw/zinc/21/67/84/968216784.db2.gz LRQOBWPVXXOHNI-JONQDZQNSA-N 1 2 373.335 2.925 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C2CC(OC)C2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087615848 968372090 /nfs/dbraw/zinc/37/20/90/968372090.db2.gz RDTBQZANYIQYBR-SJROMKODSA-N 1 2 359.445 2.591 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C2CC(OC)C2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087615848 968372095 /nfs/dbraw/zinc/37/20/95/968372095.db2.gz RDTBQZANYIQYBR-SJROMKODSA-N 1 2 359.445 2.591 20 30 FFEDLO C[C@H](Nc1nc2c(c(C#N)c1C#N)CCCCCC2)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895246178 968758727 /nfs/dbraw/zinc/75/87/27/968758727.db2.gz MMJGWBOJDUOLFL-YWZLYKJASA-N 1 2 366.513 2.530 20 30 FFEDLO C[C@H](Nc1nc2c(c(C#N)c1C#N)CCCCCC2)[C@@H]1CN(C)CC[N@H+]1C ZINC000895246178 968758731 /nfs/dbraw/zinc/75/87/31/968758731.db2.gz MMJGWBOJDUOLFL-YWZLYKJASA-N 1 2 366.513 2.530 20 30 FFEDLO C#Cc1ccc(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)OC(C)(C)C)cc1F ZINC001177087383 1013847626 /nfs/dbraw/zinc/84/76/26/1013847626.db2.gz FXYAQOVZWWEAKJ-INIZCTEOSA-N 1 2 372.400 2.605 20 30 FFEDLO C#Cc1ccc(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)OC(C)(C)C)cc1F ZINC001177087383 1013847634 /nfs/dbraw/zinc/84/76/34/1013847634.db2.gz FXYAQOVZWWEAKJ-INIZCTEOSA-N 1 2 372.400 2.605 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](Cc2coc(C)n2)[C@@H]1CC ZINC001087789951 969047292 /nfs/dbraw/zinc/04/72/92/969047292.db2.gz NWLFBUVVVJXXFW-DLBZAZTESA-N 1 2 370.453 2.726 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](Cc2coc(C)n2)[C@@H]1CC ZINC001087789951 969047301 /nfs/dbraw/zinc/04/73/01/969047301.db2.gz NWLFBUVVVJXXFW-DLBZAZTESA-N 1 2 370.453 2.726 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)[C@H]1CC ZINC001087783685 969063127 /nfs/dbraw/zinc/06/31/27/969063127.db2.gz PLXLHYKLVNPPNQ-DOTOQJQBSA-N 1 2 359.861 2.603 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)[C@H]1CC ZINC001087783685 969063134 /nfs/dbraw/zinc/06/31/34/969063134.db2.gz PLXLHYKLVNPPNQ-DOTOQJQBSA-N 1 2 359.861 2.603 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](Cc2ncc(C)o2)[C@@H]1CC ZINC001087790768 969079549 /nfs/dbraw/zinc/07/95/49/969079549.db2.gz CTYOAYCZOWVYPS-JKSUJKDBSA-N 1 2 370.453 2.726 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)o2)[C@@H]1CC ZINC001087790768 969079560 /nfs/dbraw/zinc/07/95/60/969079560.db2.gz CTYOAYCZOWVYPS-JKSUJKDBSA-N 1 2 370.453 2.726 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1nocc1C ZINC001024702195 969261011 /nfs/dbraw/zinc/26/10/11/969261011.db2.gz ZTLXKQZAYREMEX-AOIWGVFYSA-N 1 2 361.486 2.825 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1nocc1C ZINC001024702195 969261019 /nfs/dbraw/zinc/26/10/19/969261019.db2.gz ZTLXKQZAYREMEX-AOIWGVFYSA-N 1 2 361.486 2.825 20 30 FFEDLO CCc1nc[nH]c1C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001087812384 970346512 /nfs/dbraw/zinc/34/65/12/970346512.db2.gz KKIJWCAQKOQRHR-ZWKOTPCHSA-N 1 2 369.444 2.766 20 30 FFEDLO CCc1nc[nH]c1C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001087812384 970346520 /nfs/dbraw/zinc/34/65/20/970346520.db2.gz KKIJWCAQKOQRHR-ZWKOTPCHSA-N 1 2 369.444 2.766 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3c(CC)oc4ccccc43)[C@H]2C1 ZINC001083284706 970361582 /nfs/dbraw/zinc/36/15/82/970361582.db2.gz LBZSOUFTUBCPFN-QFBILLFUSA-N 1 2 352.434 2.544 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3c(CC)oc4ccccc43)[C@H]2C1 ZINC001083284706 970361596 /nfs/dbraw/zinc/36/15/96/970361596.db2.gz LBZSOUFTUBCPFN-QFBILLFUSA-N 1 2 352.434 2.544 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](CCCOc2ccc(Cl)cc2)C1 ZINC001267659985 970449633 /nfs/dbraw/zinc/44/96/33/970449633.db2.gz ICPATEJLLDXSBR-MSOLQXFVSA-N 1 2 364.873 2.500 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](Cc4ncnn4CC(C)C)CC[C@@H]3C2)C1 ZINC001088098278 972771894 /nfs/dbraw/zinc/77/18/94/972771894.db2.gz BTDFYXHLJGGLHO-MSOLQXFVSA-N 1 2 371.529 2.571 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](Cc4ncnn4CC(C)C)CC[C@@H]3C2)C1 ZINC001088098278 972771907 /nfs/dbraw/zinc/77/19/07/972771907.db2.gz BTDFYXHLJGGLHO-MSOLQXFVSA-N 1 2 371.529 2.571 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2csnn2)C1 ZINC001211663803 973317366 /nfs/dbraw/zinc/31/73/66/973317366.db2.gz CYQCPURPSWLPRK-ZWKOTPCHSA-N 1 2 356.495 2.979 20 30 FFEDLO CN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)c1ccc(C#N)c(Cl)c1 ZINC000876166555 1014156258 /nfs/dbraw/zinc/15/62/58/1014156258.db2.gz YTQSOURRYIAYBK-UHFFFAOYSA-N 1 2 371.872 2.820 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC001075864135 974356513 /nfs/dbraw/zinc/35/65/13/974356513.db2.gz YJBWUGIIYFDTFD-RWMBFGLXSA-N 1 2 363.246 2.863 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC001075864135 974356521 /nfs/dbraw/zinc/35/65/21/974356521.db2.gz YJBWUGIIYFDTFD-RWMBFGLXSA-N 1 2 363.246 2.863 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000977169433 974660316 /nfs/dbraw/zinc/66/03/16/974660316.db2.gz FNEWXNZMAUVRRJ-BZUAXINKSA-N 1 2 370.497 2.730 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2nc(C)oc2C)CC1(C)C ZINC000977331668 974746823 /nfs/dbraw/zinc/74/68/23/974746823.db2.gz YNXIPKNZESOGHF-SZMVWBNQSA-N 1 2 361.486 2.599 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@@H+](Cc2nc(C)oc2C)CC1(C)C ZINC000977331668 974746832 /nfs/dbraw/zinc/74/68/32/974746832.db2.gz YNXIPKNZESOGHF-SZMVWBNQSA-N 1 2 361.486 2.599 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000982099702 977236393 /nfs/dbraw/zinc/23/63/93/977236393.db2.gz RYUMNDSSWWVXRE-XHSDSOJGSA-N 1 2 370.497 2.587 20 30 FFEDLO CC#CC[NH2+][C@@H]1CN(C(=O)c2[nH]nc3ccccc32)C[C@H]1c1ccccc1 ZINC001211715624 977404531 /nfs/dbraw/zinc/40/45/31/977404531.db2.gz GDGJUWOJFWOTQA-AZUAARDMSA-N 1 2 358.445 2.784 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCc2noc(-c3ccc(OC)cc3)n2)cc1 ZINC000067098655 977687765 /nfs/dbraw/zinc/68/77/65/977687765.db2.gz STQLKHGOLASTME-UHFFFAOYSA-N 1 2 368.393 2.785 20 30 FFEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@@H]2c2cccc(F)c2)c[nH]1 ZINC001087453717 977754550 /nfs/dbraw/zinc/75/45/50/977754550.db2.gz HPNLGZRJAOPEIB-QZTJIDSGSA-N 1 2 358.392 2.583 20 30 FFEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@@H]2c2cccc(F)c2)c[nH]1 ZINC001087453717 977754561 /nfs/dbraw/zinc/75/45/61/977754561.db2.gz HPNLGZRJAOPEIB-QZTJIDSGSA-N 1 2 358.392 2.583 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ncccc2O)C1 ZINC001087464228 978262002 /nfs/dbraw/zinc/26/20/02/978262002.db2.gz ZDGFOKZLMCPCRV-QZTJIDSGSA-N 1 2 367.424 2.538 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ncccc2O)C1 ZINC001087464228 978262009 /nfs/dbraw/zinc/26/20/09/978262009.db2.gz ZDGFOKZLMCPCRV-QZTJIDSGSA-N 1 2 367.424 2.538 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1c(Cl)cccc1OC ZINC001268745871 978385501 /nfs/dbraw/zinc/38/55/01/978385501.db2.gz LGZGXRLLDDLIQF-VBQJREDUSA-N 1 2 366.889 2.876 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1c(Cl)cccc1OC ZINC001268745871 978385506 /nfs/dbraw/zinc/38/55/06/978385506.db2.gz LGZGXRLLDDLIQF-VBQJREDUSA-N 1 2 366.889 2.876 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001076071210 979084698 /nfs/dbraw/zinc/08/46/98/979084698.db2.gz BOICKQULXFWKBD-OBZTUIKSSA-N 1 2 371.456 2.545 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001076071210 979084704 /nfs/dbraw/zinc/08/47/04/979084704.db2.gz BOICKQULXFWKBD-OBZTUIKSSA-N 1 2 371.456 2.545 20 30 FFEDLO CCCc1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)n[nH]1 ZINC001076114724 979131790 /nfs/dbraw/zinc/13/17/90/979131790.db2.gz GQMLUFJBBKCNEA-FXAWDEMLSA-N 1 2 363.465 2.580 20 30 FFEDLO CCCc1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)n[nH]1 ZINC001076114724 979131794 /nfs/dbraw/zinc/13/17/94/979131794.db2.gz GQMLUFJBBKCNEA-FXAWDEMLSA-N 1 2 363.465 2.580 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC)c3C)[C@@H]2C1 ZINC001076160350 979165625 /nfs/dbraw/zinc/16/56/25/979165625.db2.gz YTBOUCBTMQMQIC-GOEBONIOSA-N 1 2 366.303 2.871 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC)c3C)[C@@H]2C1 ZINC001076160350 979165631 /nfs/dbraw/zinc/16/56/31/979165631.db2.gz YTBOUCBTMQMQIC-GOEBONIOSA-N 1 2 366.303 2.871 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc43)[C@@H]2C1 ZINC001076195628 979213933 /nfs/dbraw/zinc/21/39/33/979213933.db2.gz SGPXNQSSWNCTAE-USXIJHARSA-N 1 2 361.283 2.768 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc43)[C@@H]2C1 ZINC001076195628 979213940 /nfs/dbraw/zinc/21/39/40/979213940.db2.gz SGPXNQSSWNCTAE-USXIJHARSA-N 1 2 361.283 2.768 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC34CCC4)[C@@H]2C1 ZINC001076299078 979345994 /nfs/dbraw/zinc/34/59/94/979345994.db2.gz MLEHJKVFEUNYJQ-KFKAGJAMSA-N 1 2 353.441 2.920 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC34CCC4)[C@@H]2C1 ZINC001076299078 979346002 /nfs/dbraw/zinc/34/60/02/979346002.db2.gz MLEHJKVFEUNYJQ-KFKAGJAMSA-N 1 2 353.441 2.920 20 30 FFEDLO CCc1oncc1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001076309200 979359010 /nfs/dbraw/zinc/35/90/10/979359010.db2.gz FJKPCGRWUSONHL-KBXCAEBGSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1oncc1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001076309200 979359020 /nfs/dbraw/zinc/35/90/20/979359020.db2.gz FJKPCGRWUSONHL-KBXCAEBGSA-N 1 2 368.412 2.594 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCCCO3)[C@@H]2C1 ZINC001076310275 979360996 /nfs/dbraw/zinc/36/09/96/979360996.db2.gz CXWOLTCSWKVQRM-ARFHVFGLSA-N 1 2 371.319 2.777 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCCCO3)[C@@H]2C1 ZINC001076310275 979360990 /nfs/dbraw/zinc/36/09/90/979360990.db2.gz CXWOLTCSWKVQRM-ARFHVFGLSA-N 1 2 371.319 2.777 20 30 FFEDLO CCCCC[C@@H](C)NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258096 979380940 /nfs/dbraw/zinc/38/09/40/979380940.db2.gz YQUIERHUFHLWRY-GOSISDBHSA-N 1 2 356.514 2.761 20 30 FFEDLO N#CCOc1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)c3ccccc3)C2)cc1 ZINC001137120361 1014592719 /nfs/dbraw/zinc/59/27/19/1014592719.db2.gz HSCACDKZXLFKNT-LJQANCHMSA-N 1 2 356.447 2.637 20 30 FFEDLO N#CCOc1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)c3ccccc3)C2)cc1 ZINC001137120361 1014592733 /nfs/dbraw/zinc/59/27/33/1014592733.db2.gz HSCACDKZXLFKNT-LJQANCHMSA-N 1 2 356.447 2.637 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3nccc(C)n3)C[C@H]21)c1ccccc1 ZINC001076597691 979699298 /nfs/dbraw/zinc/69/92/98/979699298.db2.gz IORWKNHSMYBWCZ-SLFFLAALSA-N 1 2 362.477 2.788 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3nccc(C)n3)C[C@H]21)c1ccccc1 ZINC001076597691 979699303 /nfs/dbraw/zinc/69/93/03/979699303.db2.gz IORWKNHSMYBWCZ-SLFFLAALSA-N 1 2 362.477 2.788 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]21)c1ccccc1 ZINC001076598402 979700339 /nfs/dbraw/zinc/70/03/39/979700339.db2.gz YZNWKLZXLBCWQM-YSIASYRMSA-N 1 2 351.450 2.986 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cc(C)on3)C[C@H]21)c1ccccc1 ZINC001076598402 979700341 /nfs/dbraw/zinc/70/03/41/979700341.db2.gz YZNWKLZXLBCWQM-YSIASYRMSA-N 1 2 351.450 2.986 20 30 FFEDLO CCC(CC)n1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)n1 ZINC001088511412 980370089 /nfs/dbraw/zinc/37/00/89/980370089.db2.gz NAWVLSPMLLZJAU-KDOFPFPSSA-N 1 2 368.485 2.837 20 30 FFEDLO CCC(CC)n1ccc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)n1 ZINC001088511412 980370093 /nfs/dbraw/zinc/37/00/93/980370093.db2.gz NAWVLSPMLLZJAU-KDOFPFPSSA-N 1 2 368.485 2.837 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)co1 ZINC001088533192 980459515 /nfs/dbraw/zinc/45/95/15/980459515.db2.gz DWZHPOLSNYYCGB-WBMJQRKESA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)co1 ZINC001088533192 980459519 /nfs/dbraw/zinc/45/95/19/980459519.db2.gz DWZHPOLSNYYCGB-WBMJQRKESA-N 1 2 356.401 2.641 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]21 ZINC001075885410 980485733 /nfs/dbraw/zinc/48/57/33/980485733.db2.gz VINVUQSCJCUPPT-MAUKXSAKSA-N 1 2 356.495 2.786 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+](Cc3csc(C)n3)C[C@H]21 ZINC001075885410 980485736 /nfs/dbraw/zinc/48/57/36/980485736.db2.gz VINVUQSCJCUPPT-MAUKXSAKSA-N 1 2 356.495 2.786 20 30 FFEDLO CN(CC[N@H+](C)CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001482604805 981040133 /nfs/dbraw/zinc/04/01/33/981040133.db2.gz MHOCZCREFLYUTB-QZTJIDSGSA-N 1 2 370.884 2.609 20 30 FFEDLO CN(CC[N@@H+](C)CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001482604805 981040138 /nfs/dbraw/zinc/04/01/38/981040138.db2.gz MHOCZCREFLYUTB-QZTJIDSGSA-N 1 2 370.884 2.609 20 30 FFEDLO Cc1csc(CCC(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c1 ZINC001272063457 981059038 /nfs/dbraw/zinc/05/90/38/981059038.db2.gz KTLGYWUXXOZYFL-UHFFFAOYSA-N 1 2 368.506 2.544 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccsn4)[C@@H]3C2)c1 ZINC001075929446 981983161 /nfs/dbraw/zinc/98/31/61/981983161.db2.gz RUMJDMFHKRZMPZ-SUMWQHHRSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccsn4)[C@@H]3C2)c1 ZINC001075929446 981983167 /nfs/dbraw/zinc/98/31/67/981983167.db2.gz RUMJDMFHKRZMPZ-SUMWQHHRSA-N 1 2 356.426 2.500 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000897754436 982496296 /nfs/dbraw/zinc/49/62/96/982496296.db2.gz TZCCIBKYAPTQJO-AEFFLSMTSA-N 1 2 354.454 2.602 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2[nH]nc3c2CCCC3)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001088698345 982951554 /nfs/dbraw/zinc/95/15/54/982951554.db2.gz QBYZJOGOKHBXHH-KDOFPFPSSA-N 1 2 363.465 2.553 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2[nH]nc3c2CCCC3)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088698345 982951561 /nfs/dbraw/zinc/95/15/61/982951561.db2.gz QBYZJOGOKHBXHH-KDOFPFPSSA-N 1 2 363.465 2.553 20 30 FFEDLO Cc1cc(C#N)ccc1CON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000186004037 984076462 /nfs/dbraw/zinc/07/64/62/984076462.db2.gz BHJHELIERRQESR-HXUWFJFHSA-N 1 2 364.449 2.557 20 30 FFEDLO Cc1cc(C#N)ccc1CON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000186004037 984076471 /nfs/dbraw/zinc/07/64/71/984076471.db2.gz BHJHELIERRQESR-HXUWFJFHSA-N 1 2 364.449 2.557 20 30 FFEDLO COc1ccccc1[C@H](C)N(C)C(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000151295270 984247273 /nfs/dbraw/zinc/24/72/73/984247273.db2.gz KTHGCRQOXRDDTP-AWEZNQCLSA-N 1 2 373.428 2.999 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)cc2F)C[C@H]1OC ZINC001212184953 984985113 /nfs/dbraw/zinc/98/51/13/984985113.db2.gz JXJKDCPBUACECA-FSPWUOQZSA-N 1 2 350.409 2.645 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)cc2F)C[C@H]1OC ZINC001212184953 984985117 /nfs/dbraw/zinc/98/51/17/984985117.db2.gz JXJKDCPBUACECA-FSPWUOQZSA-N 1 2 350.409 2.645 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)n2)[C@@H]1C ZINC001088914175 985438305 /nfs/dbraw/zinc/43/83/05/985438305.db2.gz NVHUOXBFSIPDSV-VKZRIFJHSA-N 1 2 363.889 2.795 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)[C@@H]1C ZINC001088914175 985438309 /nfs/dbraw/zinc/43/83/09/985438309.db2.gz NVHUOXBFSIPDSV-VKZRIFJHSA-N 1 2 363.889 2.795 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCOC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088942810 985550291 /nfs/dbraw/zinc/55/02/91/985550291.db2.gz HVXSMZOHFSUXJS-MOXGXCLJSA-N 1 2 360.885 2.697 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCOC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088942810 985550295 /nfs/dbraw/zinc/55/02/95/985550295.db2.gz HVXSMZOHFSUXJS-MOXGXCLJSA-N 1 2 360.885 2.697 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(F)cc2)[C@H]1C ZINC001089015831 985911477 /nfs/dbraw/zinc/91/14/77/985911477.db2.gz TYQRAGXPXYGDJU-DOMZBBRYSA-N 1 2 355.251 2.856 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(F)cc2)[C@H]1C ZINC001089015831 985911479 /nfs/dbraw/zinc/91/14/79/985911479.db2.gz TYQRAGXPXYGDJU-DOMZBBRYSA-N 1 2 355.251 2.856 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3Cl)C[C@H]2OC)CCC1 ZINC001212393704 986024044 /nfs/dbraw/zinc/02/40/44/986024044.db2.gz VNTNAQOTWMHVHR-QZTJIDSGSA-N 1 2 360.885 2.849 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@H]2OC)CCC1 ZINC001212393704 986024057 /nfs/dbraw/zinc/02/40/57/986024057.db2.gz VNTNAQOTWMHVHR-QZTJIDSGSA-N 1 2 360.885 2.849 20 30 FFEDLO CC1(C)CCC(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2O)CC1 ZINC001078293626 987123532 /nfs/dbraw/zinc/12/35/32/987123532.db2.gz HCZWXZZLWFBANT-WOJBJXKFSA-N 1 2 369.509 2.826 20 30 FFEDLO CC1(C)CCC(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2O)CC1 ZINC001078293626 987123535 /nfs/dbraw/zinc/12/35/35/987123535.db2.gz HCZWXZZLWFBANT-WOJBJXKFSA-N 1 2 369.509 2.826 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001060992925 987170358 /nfs/dbraw/zinc/17/03/58/987170358.db2.gz FSUFFCDNLSDCKE-UAGQMJEPSA-N 1 2 356.470 2.514 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001061010620 987208250 /nfs/dbraw/zinc/20/82/50/987208250.db2.gz OOGNQOMRNINORX-AYBZRNKSSA-N 1 2 370.497 2.904 20 30 FFEDLO CC(C)(Cc1ccc(C#N)cc1)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000914167951 987339194 /nfs/dbraw/zinc/33/91/94/987339194.db2.gz CTNKBGMMBOATOL-UHFFFAOYSA-N 1 2 365.481 2.954 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](CCOc2ccccc2C)C1 ZINC001031077349 987579215 /nfs/dbraw/zinc/57/92/15/987579215.db2.gz OZFIQGXPBITERB-ICSRJNTNSA-N 1 2 358.482 2.546 20 30 FFEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001003330150 987926364 /nfs/dbraw/zinc/92/63/64/987926364.db2.gz WMPFGWMNGZZZRI-RYGJVYDSSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1c(F)cccc1NCC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001090009358 988033876 /nfs/dbraw/zinc/03/38/76/988033876.db2.gz BVNRQHDQGCIAAI-ZIAGYGMSSA-N 1 2 367.428 2.923 20 30 FFEDLO N#Cc1c(F)cccc1NCC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001090009358 988033891 /nfs/dbraw/zinc/03/38/91/988033891.db2.gz BVNRQHDQGCIAAI-ZIAGYGMSSA-N 1 2 367.428 2.923 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001061267998 988054845 /nfs/dbraw/zinc/05/48/45/988054845.db2.gz LZSZNKWDPGJRGY-KSZLIROESA-N 1 2 370.497 2.681 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001003700872 988231142 /nfs/dbraw/zinc/23/11/42/988231142.db2.gz UQCOJHUJJGUFMR-VWXURSGXSA-N 1 2 372.513 2.777 20 30 FFEDLO C#CC[C@@]1(C(=O)OCc2ccc[nH+]c2N)CCCN1C(=O)OC(C)(C)C ZINC000922737282 988852144 /nfs/dbraw/zinc/85/21/44/988852144.db2.gz PXXJAJSWLYSWRW-IBGZPJMESA-N 1 2 359.426 2.500 20 30 FFEDLO CC1CC(n2nnc3c2C[N@H+](CCCOc2ccc(C#N)cc2)CC3)C1 ZINC000879329378 1015482053 /nfs/dbraw/zinc/48/20/53/1015482053.db2.gz SGUNFUBMGCSUFI-UHFFFAOYSA-N 1 2 351.454 2.948 20 30 FFEDLO CC1CC(n2nnc3c2C[N@@H+](CCCOc2ccc(C#N)cc2)CC3)C1 ZINC000879329378 1015482060 /nfs/dbraw/zinc/48/20/60/1015482060.db2.gz SGUNFUBMGCSUFI-UHFFFAOYSA-N 1 2 351.454 2.948 20 30 FFEDLO CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000916269203 989770013 /nfs/dbraw/zinc/77/00/13/989770013.db2.gz XXWPGQOGAFZJCH-UHFFFAOYSA-N 1 2 370.409 2.969 20 30 FFEDLO CC(C)(Cc1ccc(C#N)cc1)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000916342384 989779552 /nfs/dbraw/zinc/77/95/52/989779552.db2.gz WBXRGGLVHZEOIQ-UHFFFAOYSA-N 1 2 351.454 2.912 20 30 FFEDLO CCN(C(=O)[C@H]1CC[C@@H](C)O1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033957034 989854605 /nfs/dbraw/zinc/85/46/05/989854605.db2.gz JCRAINPRYUSWSI-NIKGAXFTSA-N 1 2 359.445 2.688 20 30 FFEDLO CCN(C(=O)[C@H]1CC[C@@H](C)O1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033957034 989854614 /nfs/dbraw/zinc/85/46/14/989854614.db2.gz JCRAINPRYUSWSI-NIKGAXFTSA-N 1 2 359.445 2.688 20 30 FFEDLO C#CC[N@@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CCc2ccccc21 ZINC000917117802 990142047 /nfs/dbraw/zinc/14/20/47/990142047.db2.gz PWRYVIZCAYZXGS-IBGZPJMESA-N 1 2 360.417 2.830 20 30 FFEDLO C#CC[N@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CCc2ccccc21 ZINC000917117802 990142052 /nfs/dbraw/zinc/14/20/52/990142052.db2.gz PWRYVIZCAYZXGS-IBGZPJMESA-N 1 2 360.417 2.830 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2CN(C(=O)CCn2cc[nH+]c2)C3)CC1 ZINC001008247620 1015549574 /nfs/dbraw/zinc/54/95/74/1015549574.db2.gz UTERSUACJMMYQW-RXVVDRJESA-N 1 2 370.497 2.517 20 30 FFEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000918275159 990364689 /nfs/dbraw/zinc/36/46/89/990364689.db2.gz MCAIUCHPUBPQDG-OAHLLOKOSA-N 1 2 373.844 2.578 20 30 FFEDLO CN(C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)c1cccc(F)c1C#N ZINC001062188459 990680800 /nfs/dbraw/zinc/68/08/00/990680800.db2.gz FZBOBOOEPSIPQQ-RRFJBIMHSA-N 1 2 367.428 2.509 20 30 FFEDLO CN(C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)c1cccc(F)c1C#N ZINC001062188459 990680802 /nfs/dbraw/zinc/68/08/02/990680802.db2.gz FZBOBOOEPSIPQQ-RRFJBIMHSA-N 1 2 367.428 2.509 20 30 FFEDLO C=CCCC1(C(=O)NC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001062262962 990694629 /nfs/dbraw/zinc/69/46/29/990694629.db2.gz RGWMQDOGYHOCPQ-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCCC1(C(=O)NC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001062262962 990694633 /nfs/dbraw/zinc/69/46/33/990694633.db2.gz RGWMQDOGYHOCPQ-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C(C)(C)C2)C1 ZINC000967069964 1015581103 /nfs/dbraw/zinc/58/11/03/1015581103.db2.gz UMLFTUYOUXMYPZ-BFYDXBDKSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C(C)(C)C2)C1 ZINC000967069964 1015581110 /nfs/dbraw/zinc/58/11/10/1015581110.db2.gz UMLFTUYOUXMYPZ-BFYDXBDKSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@H]2CCCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001487135683 990954284 /nfs/dbraw/zinc/95/42/84/990954284.db2.gz ZVXGHGPODKFNPT-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@H]2CCCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001487135683 990954293 /nfs/dbraw/zinc/95/42/93/990954293.db2.gz ZVXGHGPODKFNPT-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2(C)C)C1 ZINC000967149655 1015605875 /nfs/dbraw/zinc/60/58/75/1015605875.db2.gz REEQSOFZUWBMJE-INMHGKMJSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2(C)C)C1 ZINC000967149655 1015605879 /nfs/dbraw/zinc/60/58/79/1015605879.db2.gz REEQSOFZUWBMJE-INMHGKMJSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)c3ccc(F)cc3F)C[C@@H]2O)C1 ZINC001083763585 991198052 /nfs/dbraw/zinc/19/80/52/991198052.db2.gz RVJRHPGFAOMMAT-SQNIBIBYSA-N 1 2 364.436 2.934 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@@H](CC)c3ccc(F)cc3F)C[C@@H]2O)C1 ZINC001083763585 991198056 /nfs/dbraw/zinc/19/80/56/991198056.db2.gz RVJRHPGFAOMMAT-SQNIBIBYSA-N 1 2 364.436 2.934 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCC[N@H+](C)Cc1ncc(Cl)s1 ZINC001484759111 991749698 /nfs/dbraw/zinc/74/96/98/991749698.db2.gz RCROVDNSCOUKBL-OLZOCXBDSA-N 1 2 357.907 2.668 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCC[N@@H+](C)Cc1ncc(Cl)s1 ZINC001484759111 991749709 /nfs/dbraw/zinc/74/97/09/991749709.db2.gz RCROVDNSCOUKBL-OLZOCXBDSA-N 1 2 357.907 2.668 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(C)cs2)C1 ZINC001079133620 991822899 /nfs/dbraw/zinc/82/28/99/991822899.db2.gz RETMVLMOERXZMY-RTBURBONSA-N 1 2 368.502 2.767 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(C)cs2)C1 ZINC001079133620 991822910 /nfs/dbraw/zinc/82/29/10/991822910.db2.gz RETMVLMOERXZMY-RTBURBONSA-N 1 2 368.502 2.767 20 30 FFEDLO NC(=NOCc1ccc(F)cc1F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181845979 991901830 /nfs/dbraw/zinc/90/18/30/991901830.db2.gz LTWHFTHMEGTFBA-GOSISDBHSA-N 1 2 361.392 2.655 20 30 FFEDLO NC(=NOCc1ccc(F)cc1F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181845979 991901842 /nfs/dbraw/zinc/90/18/42/991901842.db2.gz LTWHFTHMEGTFBA-GOSISDBHSA-N 1 2 361.392 2.655 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C[C@H]1CCCCO1 ZINC001079561642 992191390 /nfs/dbraw/zinc/19/13/90/992191390.db2.gz LWMFIGQTGXWBKM-NIKGAXFTSA-N 1 2 359.445 2.593 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C[C@H]1CCCCO1 ZINC001079561642 992191397 /nfs/dbraw/zinc/19/13/97/992191397.db2.gz LWMFIGQTGXWBKM-NIKGAXFTSA-N 1 2 359.445 2.593 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001079713994 992383628 /nfs/dbraw/zinc/38/36/28/992383628.db2.gz RBCBPGPRQVVXMI-YGBSJELFSA-N 1 2 373.472 2.695 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001079713994 992383635 /nfs/dbraw/zinc/38/36/35/992383635.db2.gz RBCBPGPRQVVXMI-YGBSJELFSA-N 1 2 373.472 2.695 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)cc(C)n1 ZINC001079769851 992424981 /nfs/dbraw/zinc/42/49/81/992424981.db2.gz BKIUGAJZHMQIMM-ZUOKHONESA-N 1 2 366.440 2.960 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)cc(C)n1 ZINC001079769851 992424988 /nfs/dbraw/zinc/42/49/88/992424988.db2.gz BKIUGAJZHMQIMM-ZUOKHONESA-N 1 2 366.440 2.960 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1snnc1C1CC1 ZINC001079897145 992562567 /nfs/dbraw/zinc/56/25/67/992562567.db2.gz AOBKZONMJDFTDB-RHSMWYFYSA-N 1 2 366.490 2.517 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1snnc1C1CC1 ZINC001079897145 992562572 /nfs/dbraw/zinc/56/25/72/992562572.db2.gz AOBKZONMJDFTDB-RHSMWYFYSA-N 1 2 366.490 2.517 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001080692080 993284819 /nfs/dbraw/zinc/28/48/19/993284819.db2.gz YASVIEHACKOUGU-MEBBXXQBSA-N 1 2 352.276 2.851 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001080692080 993284822 /nfs/dbraw/zinc/28/48/22/993284822.db2.gz YASVIEHACKOUGU-MEBBXXQBSA-N 1 2 352.276 2.851 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(OC)c(C)c(OC)c2)C1 ZINC001080900950 993464800 /nfs/dbraw/zinc/46/48/00/993464800.db2.gz CFCJVSNLOFWSAL-IAQYHMDHSA-N 1 2 352.862 2.815 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(OC)c(C)c(OC)c2)C1 ZINC001080900950 993464804 /nfs/dbraw/zinc/46/48/04/993464804.db2.gz CFCJVSNLOFWSAL-IAQYHMDHSA-N 1 2 352.862 2.815 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)c(OCC)c2)C1 ZINC001080908118 993468062 /nfs/dbraw/zinc/46/80/62/993468062.db2.gz WABNYVAIIZKSMU-IUODEOHRSA-N 1 2 352.862 2.897 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)c(OCC)c2)C1 ZINC001080908118 993468066 /nfs/dbraw/zinc/46/80/66/993468066.db2.gz WABNYVAIIZKSMU-IUODEOHRSA-N 1 2 352.862 2.897 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080923566 993471567 /nfs/dbraw/zinc/47/15/67/993471567.db2.gz HDVQYNBHKXOAGH-CXAGYDPISA-N 1 2 352.438 2.667 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080923566 993471572 /nfs/dbraw/zinc/47/15/72/993471572.db2.gz HDVQYNBHKXOAGH-CXAGYDPISA-N 1 2 352.438 2.667 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[C@H]1C=CCCC1 ZINC001081846784 994016592 /nfs/dbraw/zinc/01/65/92/994016592.db2.gz IJSLFZMMEBYBMC-CWFSZBLJSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[C@H]1C=CCCC1 ZINC001081846784 994016601 /nfs/dbraw/zinc/01/66/01/994016601.db2.gz IJSLFZMMEBYBMC-CWFSZBLJSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C[C@@H]1C=CCCC1 ZINC001081847066 994019168 /nfs/dbraw/zinc/01/91/68/994019168.db2.gz SJCGEGXFFCWXAT-CDHQVMDDSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C[C@@H]1C=CCCC1 ZINC001081847066 994019177 /nfs/dbraw/zinc/01/91/77/994019177.db2.gz SJCGEGXFFCWXAT-CDHQVMDDSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C12CCC(CC1)C2 ZINC001081857778 994024769 /nfs/dbraw/zinc/02/47/69/994024769.db2.gz BTKWRTXNAJGEGI-DONOWJBHSA-N 1 2 359.495 2.515 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C12CCC(CC1)C2 ZINC001081857778 994024780 /nfs/dbraw/zinc/02/47/80/994024780.db2.gz BTKWRTXNAJGEGI-DONOWJBHSA-N 1 2 359.495 2.515 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1CCC2(CC2)CC1 ZINC001081953114 994060697 /nfs/dbraw/zinc/06/06/97/994060697.db2.gz JZNAYGHRDPGKIG-NHCUHLMSSA-N 1 2 366.505 2.824 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1CCC2(CC2)CC1 ZINC001081953114 994060701 /nfs/dbraw/zinc/06/07/01/994060701.db2.gz JZNAYGHRDPGKIG-NHCUHLMSSA-N 1 2 366.505 2.824 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)c(C)s3)C[C@H]2OC)CC1 ZINC001082096815 994155216 /nfs/dbraw/zinc/15/52/16/994155216.db2.gz FTZCBSOXXXNYLE-IAGOWNOFSA-N 1 2 363.527 2.822 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)c(C)s3)C[C@H]2OC)CC1 ZINC001082096815 994155225 /nfs/dbraw/zinc/15/52/25/994155225.db2.gz FTZCBSOXXXNYLE-IAGOWNOFSA-N 1 2 363.527 2.822 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C4CC4)no3)C[C@H]2OC)CC1 ZINC001082102154 994163744 /nfs/dbraw/zinc/16/37/44/994163744.db2.gz PTNXPEKESXVUCA-RTBURBONSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc(C4CC4)no3)C[C@H]2OC)CC1 ZINC001082102154 994163748 /nfs/dbraw/zinc/16/37/48/994163748.db2.gz PTNXPEKESXVUCA-RTBURBONSA-N 1 2 359.470 2.614 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C)c(C)c1 ZINC001082354613 994429203 /nfs/dbraw/zinc/42/92/03/994429203.db2.gz FLWKIISCMNYKAE-FGZHOGPDSA-N 1 2 362.473 2.784 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C)c(C)c1 ZINC001082354613 994429207 /nfs/dbraw/zinc/42/92/07/994429207.db2.gz FLWKIISCMNYKAE-FGZHOGPDSA-N 1 2 362.473 2.784 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000810082041 994690749 /nfs/dbraw/zinc/69/07/49/994690749.db2.gz DRERXEWYDCKCLY-QGZVFWFLSA-N 1 2 372.387 2.557 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC001082682139 995269825 /nfs/dbraw/zinc/26/98/25/995269825.db2.gz ZQKITCHHCJNQFG-SJLPKXTDSA-N 1 2 367.497 2.806 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc([C@@H](C)OCC)no2)C1 ZINC001082682050 995270314 /nfs/dbraw/zinc/27/03/14/995270314.db2.gz PRNSCCIMTOAKTH-RBSFLKMASA-N 1 2 364.490 2.706 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C3)c(F)c1 ZINC001098010874 1015945328 /nfs/dbraw/zinc/94/53/28/1015945328.db2.gz OCOHZQRXYHKTFP-DSJDWBEOSA-N 1 2 353.441 2.965 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C3)c(F)c1 ZINC001098010874 1015945339 /nfs/dbraw/zinc/94/53/39/1015945339.db2.gz OCOHZQRXYHKTFP-DSJDWBEOSA-N 1 2 353.441 2.965 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812851493 995554122 /nfs/dbraw/zinc/55/41/22/995554122.db2.gz RYJOAULZCGAXHL-OXJNMPFZSA-N 1 2 372.490 2.776 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812851493 995554132 /nfs/dbraw/zinc/55/41/32/995554132.db2.gz RYJOAULZCGAXHL-OXJNMPFZSA-N 1 2 372.490 2.776 20 30 FFEDLO C#C[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000812876589 995557719 /nfs/dbraw/zinc/55/77/19/995557719.db2.gz IAVYYKHXESMIDE-GOSISDBHSA-N 1 2 352.413 2.863 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CCC)no2)C1)c1ccccc1 ZINC001082937490 995870016 /nfs/dbraw/zinc/87/00/16/995870016.db2.gz ZASKPCBTKWSQTC-KBAYOESNSA-N 1 2 368.481 2.928 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)CC4CCCC4)[C@H]3C2)cc1F ZINC001082986423 995977287 /nfs/dbraw/zinc/97/72/87/995977287.db2.gz AXGOMHYFYNCWGB-VQTJNVASSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)CC4CCCC4)[C@H]3C2)cc1F ZINC001082986423 995977292 /nfs/dbraw/zinc/97/72/92/995977292.db2.gz AXGOMHYFYNCWGB-VQTJNVASSA-N 1 2 371.456 2.689 20 30 FFEDLO CCC(CC)C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001083006468 996023863 /nfs/dbraw/zinc/02/38/63/996023863.db2.gz JBXRAXZXUDMYJG-RBUKOAKNSA-N 1 2 359.445 2.545 20 30 FFEDLO CCC(CC)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001083006468 996023867 /nfs/dbraw/zinc/02/38/67/996023867.db2.gz JBXRAXZXUDMYJG-RBUKOAKNSA-N 1 2 359.445 2.545 20 30 FFEDLO O=C(C1=CCCC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC001083048645 996046442 /nfs/dbraw/zinc/04/64/42/996046442.db2.gz FXEGTEFXLIPNOQ-VQTJNVASSA-N 1 2 370.880 2.713 20 30 FFEDLO O=C(C1=CCCC1)N1CCO[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC001083048645 996046447 /nfs/dbraw/zinc/04/64/47/996046447.db2.gz FXEGTEFXLIPNOQ-VQTJNVASSA-N 1 2 370.880 2.713 20 30 FFEDLO O=C(C[C@@H]1C=CCCC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083118211 996066670 /nfs/dbraw/zinc/06/66/70/996066670.db2.gz XPPXPIPYACYUSH-BHIFYINESA-N 1 2 364.489 2.696 20 30 FFEDLO O=C(C[C@@H]1C=CCCC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083118211 996066675 /nfs/dbraw/zinc/06/66/75/996066675.db2.gz XPPXPIPYACYUSH-BHIFYINESA-N 1 2 364.489 2.696 20 30 FFEDLO O=C([C@H]1CCCC12CC2)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083119887 996068763 /nfs/dbraw/zinc/06/87/63/996068763.db2.gz OVDCAEAZCYADLB-QHAWAJNXSA-N 1 2 364.489 2.530 20 30 FFEDLO O=C([C@H]1CCCC12CC2)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083119887 996068767 /nfs/dbraw/zinc/06/87/67/996068767.db2.gz OVDCAEAZCYADLB-QHAWAJNXSA-N 1 2 364.489 2.530 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083140510 996097626 /nfs/dbraw/zinc/09/76/26/996097626.db2.gz HRHJSOHQXADLOH-MXEMCNAFSA-N 1 2 366.505 2.632 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083140510 996097632 /nfs/dbraw/zinc/09/76/32/996097632.db2.gz HRHJSOHQXADLOH-MXEMCNAFSA-N 1 2 366.505 2.632 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3coc4cc(C)c(C)cc34)[C@H]2C1 ZINC001083152425 996115713 /nfs/dbraw/zinc/11/57/13/996115713.db2.gz FRMFPOVPSZPKLK-AZUAARDMSA-N 1 2 352.434 2.598 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3coc4cc(C)c(C)cc34)[C@H]2C1 ZINC001083152425 996115719 /nfs/dbraw/zinc/11/57/19/996115719.db2.gz FRMFPOVPSZPKLK-AZUAARDMSA-N 1 2 352.434 2.598 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)C[C@@H]4CC=CCC4)[C@H]3C2)s1 ZINC001083164495 996123568 /nfs/dbraw/zinc/12/35/68/996123568.db2.gz JFTXGXQLYZISCV-AYOQOUSVSA-N 1 2 371.506 2.778 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C[C@@H]4CC=CCC4)[C@H]3C2)s1 ZINC001083164495 996123570 /nfs/dbraw/zinc/12/35/70/996123570.db2.gz JFTXGXQLYZISCV-AYOQOUSVSA-N 1 2 371.506 2.778 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001056044865 1016019435 /nfs/dbraw/zinc/01/94/35/1016019435.db2.gz PCTJUUJBUMUYMK-HKUYNNGSSA-N 1 2 370.497 2.682 20 30 FFEDLO CC(F)(F)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084149275 996279741 /nfs/dbraw/zinc/27/97/41/996279741.db2.gz AYQULOVQVMOZEB-GDBMZVCRSA-N 1 2 352.812 2.879 20 30 FFEDLO CC(F)(F)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084149275 996279747 /nfs/dbraw/zinc/27/97/47/996279747.db2.gz AYQULOVQVMOZEB-GDBMZVCRSA-N 1 2 352.812 2.879 20 30 FFEDLO O=C(c1ccon1)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084210455 996298477 /nfs/dbraw/zinc/29/84/77/996298477.db2.gz OWVAUIPCBDRHRQ-CRAIPNDOSA-N 1 2 355.825 2.526 20 30 FFEDLO O=C(c1ccon1)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084210455 996298480 /nfs/dbraw/zinc/29/84/80/996298480.db2.gz OWVAUIPCBDRHRQ-CRAIPNDOSA-N 1 2 355.825 2.526 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccncc4F)[C@@H]3C2)c(F)c1 ZINC001084249155 996354442 /nfs/dbraw/zinc/35/44/42/996354442.db2.gz MEQMHKOOJPYHNB-DNVCBOLYSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccncc4F)[C@@H]3C2)c(F)c1 ZINC001084249155 996354447 /nfs/dbraw/zinc/35/44/47/996354447.db2.gz MEQMHKOOJPYHNB-DNVCBOLYSA-N 1 2 368.387 2.578 20 30 FFEDLO Cc1cncc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)c1 ZINC001084251988 996357488 /nfs/dbraw/zinc/35/74/88/996357488.db2.gz AYMALIXFOUTQFD-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cncc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)c1 ZINC001084251988 996357492 /nfs/dbraw/zinc/35/74/92/996357492.db2.gz AYMALIXFOUTQFD-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO N#Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccc(F)nc4)[C@@H]3C2)ccc1F ZINC001084230119 996379060 /nfs/dbraw/zinc/37/90/60/996379060.db2.gz IMOOHFWWOLIJHF-CRAIPNDOSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(F)nc4)[C@@H]3C2)ccc1F ZINC001084230119 996379062 /nfs/dbraw/zinc/37/90/62/996379062.db2.gz IMOOHFWWOLIJHF-CRAIPNDOSA-N 1 2 368.387 2.578 20 30 FFEDLO C[C@H](C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21)n1cccc1 ZINC001084285388 996431518 /nfs/dbraw/zinc/43/15/18/996431518.db2.gz BLRHVRBPQVDGAW-YFVAEKQCSA-N 1 2 365.452 2.773 20 30 FFEDLO C[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21)n1cccc1 ZINC001084285388 996431521 /nfs/dbraw/zinc/43/15/21/996431521.db2.gz BLRHVRBPQVDGAW-YFVAEKQCSA-N 1 2 365.452 2.773 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cnc(C5CC5)o4)[C@@H]3C2)s1 ZINC001084415253 996514755 /nfs/dbraw/zinc/51/47/55/996514755.db2.gz MTSXSRPNAIFBBH-CZUORRHYSA-N 1 2 368.462 2.832 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cnc(C5CC5)o4)[C@@H]3C2)s1 ZINC001084415253 996514759 /nfs/dbraw/zinc/51/47/59/996514759.db2.gz MTSXSRPNAIFBBH-CZUORRHYSA-N 1 2 368.462 2.832 20 30 FFEDLO Cc1[nH]nc(Cl)c1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084395696 996538803 /nfs/dbraw/zinc/53/88/03/996538803.db2.gz AGJLWVDANHADCK-HZPDHXFCSA-N 1 2 369.856 2.590 20 30 FFEDLO Cc1[nH]nc(Cl)c1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084395696 996538807 /nfs/dbraw/zinc/53/88/07/996538807.db2.gz AGJLWVDANHADCK-HZPDHXFCSA-N 1 2 369.856 2.590 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001084574293 996685471 /nfs/dbraw/zinc/68/54/71/996685471.db2.gz YYAUGNSEMNXHJZ-UKRRQHHQSA-N 1 2 366.456 2.993 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001084574293 996685473 /nfs/dbraw/zinc/68/54/73/996685473.db2.gz YYAUGNSEMNXHJZ-UKRRQHHQSA-N 1 2 366.456 2.993 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(Cl)[nH]3)[C@@H]2C1 ZINC001084642447 996755628 /nfs/dbraw/zinc/75/56/28/996755628.db2.gz WBJJDGFEPPFVNX-NVXWUHKLSA-N 1 2 354.841 2.886 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Cl)[nH]3)[C@@H]2C1 ZINC001084642447 996755629 /nfs/dbraw/zinc/75/56/29/996755629.db2.gz WBJJDGFEPPFVNX-NVXWUHKLSA-N 1 2 354.841 2.886 20 30 FFEDLO CCc1oncc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084694244 996908955 /nfs/dbraw/zinc/90/89/55/996908955.db2.gz SXOJQJGHZAZWTB-MLGOLLRUSA-N 1 2 356.451 2.517 20 30 FFEDLO CCc1oncc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084694244 996908960 /nfs/dbraw/zinc/90/89/60/996908960.db2.gz SXOJQJGHZAZWTB-MLGOLLRUSA-N 1 2 356.451 2.517 20 30 FFEDLO CC(C)C[C@@H](C(=O)N1CCC[C@](C#N)(c2ccccn2)C1)n1cc[nH+]c1 ZINC000824395463 996929266 /nfs/dbraw/zinc/92/92/66/996929266.db2.gz JAMKONBJCPUPKG-FXAWDEMLSA-N 1 2 351.454 2.949 20 30 FFEDLO COc1ccc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)o1 ZINC001084736743 997122305 /nfs/dbraw/zinc/12/23/05/997122305.db2.gz AOVNCCFTFCRDHK-SJLPKXTDSA-N 1 2 368.408 2.625 20 30 FFEDLO COc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)o1 ZINC001084736743 997122311 /nfs/dbraw/zinc/12/23/11/997122311.db2.gz AOVNCCFTFCRDHK-SJLPKXTDSA-N 1 2 368.408 2.625 20 30 FFEDLO Cc1conc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084760484 997235118 /nfs/dbraw/zinc/23/51/18/997235118.db2.gz LFAOTPZYBOIMSY-SJLPKXTDSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1conc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084760484 997235128 /nfs/dbraw/zinc/23/51/28/997235128.db2.gz LFAOTPZYBOIMSY-SJLPKXTDSA-N 1 2 369.852 2.834 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3c(C)nn(C)c3C)[C@@H]2C1 ZINC001084840138 997616904 /nfs/dbraw/zinc/61/69/04/997616904.db2.gz POPRVMGJDVXCNK-XHBKTUGNSA-N 1 2 364.921 2.501 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3c(C)nn(C)c3C)[C@@H]2C1 ZINC001084840138 997616908 /nfs/dbraw/zinc/61/69/08/997616908.db2.gz POPRVMGJDVXCNK-XHBKTUGNSA-N 1 2 364.921 2.501 20 30 FFEDLO CC(C)N(C(=O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000844367396 997843997 /nfs/dbraw/zinc/84/39/97/997843997.db2.gz UKESJVGSYNJPRH-FQEVSTJZSA-N 1 2 351.450 2.965 20 30 FFEDLO CC(C)N(C(=O)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000844367396 997844007 /nfs/dbraw/zinc/84/40/07/997844007.db2.gz UKESJVGSYNJPRH-FQEVSTJZSA-N 1 2 351.450 2.965 20 30 FFEDLO CCN(Cc1cncc(C#N)c1)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001144085889 997987302 /nfs/dbraw/zinc/98/73/02/997987302.db2.gz JATPGMFFJHZDJI-OAQYLSRUSA-N 1 2 350.466 2.676 20 30 FFEDLO CCN(Cc1cncc(C#N)c1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001144085889 997987316 /nfs/dbraw/zinc/98/73/16/997987316.db2.gz JATPGMFFJHZDJI-OAQYLSRUSA-N 1 2 350.466 2.676 20 30 FFEDLO CO[C@@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1)C1CC1 ZINC001084932955 998181708 /nfs/dbraw/zinc/18/17/08/998181708.db2.gz YYCXMRSEZUCLLB-VOBQZIQPSA-N 1 2 371.456 2.545 20 30 FFEDLO CO[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1)C1CC1 ZINC001084932955 998181714 /nfs/dbraw/zinc/18/17/14/998181714.db2.gz YYCXMRSEZUCLLB-VOBQZIQPSA-N 1 2 371.456 2.545 20 30 FFEDLO CC#CCCCC(=O)N1CCO[C@@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@@H]21 ZINC001091057991 998392498 /nfs/dbraw/zinc/39/24/98/998392498.db2.gz ANIKUKYWLKMURF-ZWKOTPCHSA-N 1 2 370.497 2.518 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)c(F)c1 ZINC001144450225 998566799 /nfs/dbraw/zinc/56/67/99/998566799.db2.gz KHCKAKVIJHKXLR-UHFFFAOYSA-N 1 2 353.397 2.806 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(C)n4CC)[C@H]3C2)CC1 ZINC001085023751 998700140 /nfs/dbraw/zinc/70/01/40/998700140.db2.gz UQYXCWJBDGZJIZ-MJGOQNOKSA-N 1 2 371.529 2.776 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc(C)n4CC)[C@H]3C2)CC1 ZINC001085023751 998700142 /nfs/dbraw/zinc/70/01/42/998700142.db2.gz UQYXCWJBDGZJIZ-MJGOQNOKSA-N 1 2 371.529 2.776 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001085023987 998701448 /nfs/dbraw/zinc/70/14/48/998701448.db2.gz KMGISEDFQFKSEA-IMFGXOCKSA-N 1 2 359.518 2.632 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001085023987 998701451 /nfs/dbraw/zinc/70/14/51/998701451.db2.gz KMGISEDFQFKSEA-IMFGXOCKSA-N 1 2 359.518 2.632 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000733196198 998907539 /nfs/dbraw/zinc/90/75/39/998907539.db2.gz IIHJUSCOAUPMRG-ZACQAIPSSA-N 1 2 365.518 2.905 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3cnns3)[C@H]2C1)c1ccccc1 ZINC001085099455 998941412 /nfs/dbraw/zinc/94/14/12/998941412.db2.gz ULRMNGAJSITJDT-NEWSRXKRSA-N 1 2 368.506 2.931 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnns3)[C@H]2C1)c1ccccc1 ZINC001085099455 998941425 /nfs/dbraw/zinc/94/14/25/998941425.db2.gz ULRMNGAJSITJDT-NEWSRXKRSA-N 1 2 368.506 2.931 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)[nH]3)[C@H]2C1)c1ccccc1 ZINC001085099540 998941929 /nfs/dbraw/zinc/94/19/29/998941929.db2.gz YGZSVLFEHHVTSO-QRVBRYPASA-N 1 2 365.481 2.506 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)[nH]3)[C@H]2C1)c1ccccc1 ZINC001085099540 998941931 /nfs/dbraw/zinc/94/19/31/998941931.db2.gz YGZSVLFEHHVTSO-QRVBRYPASA-N 1 2 365.481 2.506 20 30 FFEDLO Cc1nsc(NC[C@@]2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1C#N ZINC001065508108 999117274 /nfs/dbraw/zinc/11/72/74/999117274.db2.gz BFTORGGKPAOVBE-SNUQEOBHSA-N 1 2 370.482 2.501 20 30 FFEDLO Cc1nsc(NC[C@@]2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1C#N ZINC001065508108 999117278 /nfs/dbraw/zinc/11/72/78/999117278.db2.gz BFTORGGKPAOVBE-SNUQEOBHSA-N 1 2 370.482 2.501 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066183842 999143575 /nfs/dbraw/zinc/14/35/75/999143575.db2.gz DRPZRFIRNCHCFW-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066183842 999143577 /nfs/dbraw/zinc/14/35/77/999143577.db2.gz DRPZRFIRNCHCFW-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO CC(C)[C@]1(C)CC(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1=O ZINC000735071884 999387053 /nfs/dbraw/zinc/38/70/53/999387053.db2.gz NUMNHQJQMWXKTF-NRFANRHFSA-N 1 2 369.465 2.780 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C2CC2)no1 ZINC001085601337 999584377 /nfs/dbraw/zinc/58/43/77/999584377.db2.gz UPMBYOQGTQLECD-WDYCEAGBSA-N 1 2 359.470 2.566 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C2CC2)no1 ZINC001085601337 999584381 /nfs/dbraw/zinc/58/43/81/999584381.db2.gz UPMBYOQGTQLECD-WDYCEAGBSA-N 1 2 359.470 2.566 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085733701 999619305 /nfs/dbraw/zinc/61/93/05/999619305.db2.gz MWCQJOWPSFIASS-LMMKCTJWSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085733701 999619306 /nfs/dbraw/zinc/61/93/06/999619306.db2.gz MWCQJOWPSFIASS-LMMKCTJWSA-N 1 2 359.445 2.545 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001085824386 999644687 /nfs/dbraw/zinc/64/46/87/999644687.db2.gz HOKUGSBXMPNHOH-LZQZEXGQSA-N 1 2 360.885 2.649 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001085824386 999644691 /nfs/dbraw/zinc/64/46/91/999644691.db2.gz HOKUGSBXMPNHOH-LZQZEXGQSA-N 1 2 360.885 2.649 20 30 FFEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001085831084 999648585 /nfs/dbraw/zinc/64/85/85/999648585.db2.gz QXUWYLJSMYASOG-BHIFYINESA-N 1 2 359.473 2.770 20 30 FFEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001085831084 999648587 /nfs/dbraw/zinc/64/85/87/999648587.db2.gz QXUWYLJSMYASOG-BHIFYINESA-N 1 2 359.473 2.770 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000739904159 999657219 /nfs/dbraw/zinc/65/72/19/999657219.db2.gz OZJDQXDKVUYMLD-ZVDOUQERSA-N 1 2 361.445 2.841 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000739904159 999657221 /nfs/dbraw/zinc/65/72/21/999657221.db2.gz OZJDQXDKVUYMLD-ZVDOUQERSA-N 1 2 361.445 2.841 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000739911954 999657458 /nfs/dbraw/zinc/65/74/58/999657458.db2.gz DCUZTJXRKUPLEE-SNRMKQJTSA-N 1 2 371.481 2.789 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000739911954 999657461 /nfs/dbraw/zinc/65/74/61/999657461.db2.gz DCUZTJXRKUPLEE-SNRMKQJTSA-N 1 2 371.481 2.789 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001085869009 999666005 /nfs/dbraw/zinc/66/60/05/999666005.db2.gz GAJMBXWYKCIYNY-HBFSDRIKSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001085869009 999666008 /nfs/dbraw/zinc/66/60/08/999666008.db2.gz GAJMBXWYKCIYNY-HBFSDRIKSA-N 1 2 371.456 2.711 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000740873915 999688655 /nfs/dbraw/zinc/68/86/55/999688655.db2.gz NXOWXIVWIWSTAD-UHFFFAOYSA-N 1 2 364.405 2.726 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000740873915 999688656 /nfs/dbraw/zinc/68/86/56/999688656.db2.gz NXOWXIVWIWSTAD-UHFFFAOYSA-N 1 2 364.405 2.726 20 30 FFEDLO C[C@@H](C(=O)OCCOc1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000740987616 999696203 /nfs/dbraw/zinc/69/62/03/999696203.db2.gz QJVSNAIGTUVQKW-INIZCTEOSA-N 1 2 350.418 2.927 20 30 FFEDLO C[C@@H](C(=O)OCCOc1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000740987616 999696206 /nfs/dbraw/zinc/69/62/06/999696206.db2.gz QJVSNAIGTUVQKW-INIZCTEOSA-N 1 2 350.418 2.927 20 30 FFEDLO CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001108974095 1000141513 /nfs/dbraw/zinc/14/15/13/1000141513.db2.gz HTJAODHSOIPIKR-NEWSRXKRSA-N 1 2 359.445 2.736 20 30 FFEDLO CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001108974095 1000141514 /nfs/dbraw/zinc/14/15/14/1000141514.db2.gz HTJAODHSOIPIKR-NEWSRXKRSA-N 1 2 359.445 2.736 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CCCC2)C3)c(F)c1 ZINC001108993100 1000145549 /nfs/dbraw/zinc/14/55/49/1000145549.db2.gz MZAFZJNRUMGDHX-UXPWSPDFSA-N 1 2 371.456 2.878 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CCCC2)C3)c(F)c1 ZINC001108993100 1000145550 /nfs/dbraw/zinc/14/55/50/1000145550.db2.gz MZAFZJNRUMGDHX-UXPWSPDFSA-N 1 2 371.456 2.878 20 30 FFEDLO CCO[C@@H](CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109011690 1000149914 /nfs/dbraw/zinc/14/99/14/1000149914.db2.gz PGYCLFZQONVBKJ-BVBHFADKSA-N 1 2 359.445 2.734 20 30 FFEDLO CCO[C@@H](CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109011690 1000149915 /nfs/dbraw/zinc/14/99/15/1000149915.db2.gz PGYCLFZQONVBKJ-BVBHFADKSA-N 1 2 359.445 2.734 20 30 FFEDLO CCO[C@@H](CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109011724 1000149980 /nfs/dbraw/zinc/14/99/80/1000149980.db2.gz PZDCCMGVXAJIQO-BVBHFADKSA-N 1 2 359.445 2.734 20 30 FFEDLO CCO[C@@H](CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109011724 1000149981 /nfs/dbraw/zinc/14/99/81/1000149981.db2.gz PZDCCMGVXAJIQO-BVBHFADKSA-N 1 2 359.445 2.734 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109028271 1000152501 /nfs/dbraw/zinc/15/25/01/1000152501.db2.gz OCZADIVDCLIRPA-WBCYEJBOSA-N 1 2 353.466 2.595 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109028271 1000152502 /nfs/dbraw/zinc/15/25/02/1000152502.db2.gz OCZADIVDCLIRPA-WBCYEJBOSA-N 1 2 353.466 2.595 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109028611 1000152791 /nfs/dbraw/zinc/15/27/91/1000152791.db2.gz YUISYNFOBGGZIH-PTLICHBZSA-N 1 2 371.456 2.734 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109028611 1000152792 /nfs/dbraw/zinc/15/27/92/1000152792.db2.gz YUISYNFOBGGZIH-PTLICHBZSA-N 1 2 371.456 2.734 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109038292 1000157542 /nfs/dbraw/zinc/15/75/42/1000157542.db2.gz PGNKGDRDDFETBI-KTGNWYGMSA-N 1 2 371.456 2.900 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109038292 1000157543 /nfs/dbraw/zinc/15/75/43/1000157543.db2.gz PGNKGDRDDFETBI-KTGNWYGMSA-N 1 2 371.456 2.900 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(Cl)cc2c1OCC2 ZINC001109080567 1000163137 /nfs/dbraw/zinc/16/31/37/1000163137.db2.gz YCSNSEVIXJBTIQ-JKEMJCCQSA-N 1 2 359.857 2.656 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(Cl)cc2c1OCC2 ZINC001109080567 1000163139 /nfs/dbraw/zinc/16/31/39/1000163139.db2.gz YCSNSEVIXJBTIQ-JKEMJCCQSA-N 1 2 359.857 2.656 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(-c2ccccc2)o1 ZINC001109088818 1000166123 /nfs/dbraw/zinc/16/61/23/1000166123.db2.gz SCLIPYGRFJQVKU-SIXLDLHFSA-N 1 2 350.422 2.723 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(-c2ccccc2)o1 ZINC001109088818 1000166125 /nfs/dbraw/zinc/16/61/25/1000166125.db2.gz SCLIPYGRFJQVKU-SIXLDLHFSA-N 1 2 350.422 2.723 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1C ZINC001109166266 1000178530 /nfs/dbraw/zinc/17/85/30/1000178530.db2.gz KMSGCAXRHFJHQV-HOJAQTOUSA-N 1 2 367.493 2.849 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1C ZINC001109166266 1000178531 /nfs/dbraw/zinc/17/85/31/1000178531.db2.gz KMSGCAXRHFJHQV-HOJAQTOUSA-N 1 2 367.493 2.849 20 30 FFEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nsc2ccccc21 ZINC001109257672 1000203907 /nfs/dbraw/zinc/20/39/07/1000203907.db2.gz IBEQYVIANUWGGO-HFTRVMKXSA-N 1 2 351.475 2.931 20 30 FFEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nsc2ccccc21 ZINC001109257672 1000203908 /nfs/dbraw/zinc/20/39/08/1000203908.db2.gz IBEQYVIANUWGGO-HFTRVMKXSA-N 1 2 351.475 2.931 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(F)cccc1Cl ZINC001109270604 1000211542 /nfs/dbraw/zinc/21/15/42/1000211542.db2.gz NWPXFAGXJSJJSG-BVGQSLNGSA-N 1 2 364.848 2.741 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(F)cccc1Cl ZINC001109270604 1000211545 /nfs/dbraw/zinc/21/15/45/1000211545.db2.gz NWPXFAGXJSJJSG-BVGQSLNGSA-N 1 2 364.848 2.741 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C1CC1 ZINC001109293831 1000239407 /nfs/dbraw/zinc/23/94/07/1000239407.db2.gz IBTAQXUJNZACCN-FUMNGEBKSA-N 1 2 353.466 2.595 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C1CC1 ZINC001109293831 1000239415 /nfs/dbraw/zinc/23/94/15/1000239415.db2.gz IBTAQXUJNZACCN-FUMNGEBKSA-N 1 2 353.466 2.595 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC(C)(C)C ZINC001109339224 1000287960 /nfs/dbraw/zinc/28/79/60/1000287960.db2.gz ZONSQDGKGFXQRD-IKGGRYGDSA-N 1 2 363.546 2.863 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC(C)(C)C ZINC001109339224 1000287963 /nfs/dbraw/zinc/28/79/63/1000287963.db2.gz ZONSQDGKGFXQRD-IKGGRYGDSA-N 1 2 363.546 2.863 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)CCC ZINC001109328472 1000293551 /nfs/dbraw/zinc/29/35/51/1000293551.db2.gz OQHFYMOMYVBWOC-NQYYFHDYSA-N 1 2 361.530 2.781 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)CCC ZINC001109328472 1000293553 /nfs/dbraw/zinc/29/35/53/1000293553.db2.gz OQHFYMOMYVBWOC-NQYYFHDYSA-N 1 2 361.530 2.781 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1snnc1C ZINC001109345755 1000305573 /nfs/dbraw/zinc/30/55/73/1000305573.db2.gz ULWHCKOEGLOEAU-AGIUHOORSA-N 1 2 354.907 2.847 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1snnc1C ZINC001109345755 1000305576 /nfs/dbraw/zinc/30/55/76/1000305576.db2.gz ULWHCKOEGLOEAU-AGIUHOORSA-N 1 2 354.907 2.847 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)nn1 ZINC000846917396 1000477509 /nfs/dbraw/zinc/47/75/09/1000477509.db2.gz AZSRARFFUMZADK-DOTOQJQBSA-N 1 2 361.490 2.686 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)nn1 ZINC000846917396 1000477514 /nfs/dbraw/zinc/47/75/14/1000477514.db2.gz AZSRARFFUMZADK-DOTOQJQBSA-N 1 2 361.490 2.686 20 30 FFEDLO COc1cc(C[NH+]2CCN(OC)CC2)ccc1OCc1cccc(C#N)c1 ZINC000846975737 1000513019 /nfs/dbraw/zinc/51/30/19/1000513019.db2.gz CRZYQLHKAWHQDV-UHFFFAOYSA-N 1 2 367.449 2.825 20 30 FFEDLO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001171261166 1000530677 /nfs/dbraw/zinc/53/06/77/1000530677.db2.gz UCHXXRYZENOOFY-UHFFFAOYSA-N 1 2 356.382 2.826 20 30 FFEDLO N#Cc1c(F)cccc1N[C@@H]1CC[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001091563129 1000672193 /nfs/dbraw/zinc/67/21/93/1000672193.db2.gz WCVCXSFMBIODKL-UONOGXRCSA-N 1 2 355.417 2.750 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c(C)n[nH]c1C)C2 ZINC001110118968 1000681861 /nfs/dbraw/zinc/68/18/61/1000681861.db2.gz QZZUOKVRICBYEY-WGJNUXFISA-N 1 2 350.894 2.679 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c(C)n[nH]c1C)C2 ZINC001110118968 1000681862 /nfs/dbraw/zinc/68/18/62/1000681862.db2.gz QZZUOKVRICBYEY-WGJNUXFISA-N 1 2 350.894 2.679 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCCCC1 ZINC001109624886 1000731497 /nfs/dbraw/zinc/73/14/97/1000731497.db2.gz HGMBXYIUXDJHJG-AABGKKOBSA-N 1 2 373.541 2.598 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCCCC1 ZINC001109624886 1000731501 /nfs/dbraw/zinc/73/15/01/1000731501.db2.gz HGMBXYIUXDJHJG-AABGKKOBSA-N 1 2 373.541 2.598 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCC1 ZINC001109631495 1000746318 /nfs/dbraw/zinc/74/63/18/1000746318.db2.gz DEXRHPQJHPMXRS-NQYYFHDYSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCC1 ZINC001109631495 1000746322 /nfs/dbraw/zinc/74/63/22/1000746322.db2.gz DEXRHPQJHPMXRS-NQYYFHDYSA-N 1 2 361.530 2.759 20 30 FFEDLO COc1ccc(C#N)cc1CO[NH+]=C(N)Cc1ccc(OC)c(OC)c1 ZINC000770694149 1000890390 /nfs/dbraw/zinc/89/03/90/1000890390.db2.gz LXTDUAFSJPGKMW-UHFFFAOYSA-N 1 2 355.394 2.825 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1 ZINC001109769691 1000976501 /nfs/dbraw/zinc/97/65/01/1000976501.db2.gz OMDDGKGRAMSODS-QYZOEREBSA-N 1 2 369.509 2.627 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1 ZINC001109769691 1000976505 /nfs/dbraw/zinc/97/65/05/1000976505.db2.gz OMDDGKGRAMSODS-QYZOEREBSA-N 1 2 369.509 2.627 20 30 FFEDLO C=CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1ncnc2c1C[N@H+](C)CC2 ZINC001091692652 1001065797 /nfs/dbraw/zinc/06/57/97/1001065797.db2.gz KGYSZMIQZNBNBG-SJORKVTESA-N 1 2 371.529 2.860 20 30 FFEDLO C=CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001091692652 1001065801 /nfs/dbraw/zinc/06/58/01/1001065801.db2.gz KGYSZMIQZNBNBG-SJORKVTESA-N 1 2 371.529 2.860 20 30 FFEDLO C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1CCCNc1ccc(C#N)cn1 ZINC001091710203 1001124694 /nfs/dbraw/zinc/12/46/94/1001124694.db2.gz XZXLZGWRZHKXPI-CRAIPNDOSA-N 1 2 366.469 2.738 20 30 FFEDLO C[C@H](C#N)c1cccc(C(=O)N2CCc3onc(Cn4cc[nH+]c4)c3C2)c1 ZINC001148614679 1001181027 /nfs/dbraw/zinc/18/10/27/1001181027.db2.gz ULJQGOOTRBFWKC-CQSZACIVSA-N 1 2 361.405 2.745 20 30 FFEDLO C[C@H](OC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000787716284 1001709664 /nfs/dbraw/zinc/70/96/64/1001709664.db2.gz MFKDXPKILMGWGR-FUHWJXTLSA-N 1 2 369.465 2.535 20 30 FFEDLO C[C@H](OC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000787716284 1001709667 /nfs/dbraw/zinc/70/96/67/1001709667.db2.gz MFKDXPKILMGWGR-FUHWJXTLSA-N 1 2 369.465 2.535 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1CC ZINC001091790115 1001820209 /nfs/dbraw/zinc/82/02/09/1001820209.db2.gz JFGQLAAGLJBWFE-HYVNUMGLSA-N 1 2 358.486 2.727 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3ncc(Br)s3)C2)C1=O ZINC001276204896 1016532730 /nfs/dbraw/zinc/53/27/30/1016532730.db2.gz PBOWHDAVROSUNA-OAHLLOKOSA-N 1 2 370.316 2.906 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CC[N@@H+](Cc3ncc(Br)s3)C2)C1=O ZINC001276204896 1016532740 /nfs/dbraw/zinc/53/27/40/1016532740.db2.gz PBOWHDAVROSUNA-OAHLLOKOSA-N 1 2 370.316 2.906 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCN1c1nc(C)[nH+]c2c1CCCC2 ZINC001091781059 1001906875 /nfs/dbraw/zinc/90/68/75/1001906875.db2.gz LRXZLPXRVKPFLI-RBUKOAKNSA-N 1 2 352.482 2.551 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COC2CCCC2)C3)ccc1F ZINC001110329876 1002195173 /nfs/dbraw/zinc/19/51/73/1002195173.db2.gz ALBLGNGTPFSCMZ-AHRSYUTCSA-N 1 2 371.456 2.878 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COC2CCCC2)C3)ccc1F ZINC001110329876 1002195178 /nfs/dbraw/zinc/19/51/78/1002195178.db2.gz ALBLGNGTPFSCMZ-AHRSYUTCSA-N 1 2 371.456 2.878 20 30 FFEDLO N#C[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccnc(-c2cc(N)cc[nH+]2)c1 ZINC001183606195 1002314225 /nfs/dbraw/zinc/31/42/25/1002314225.db2.gz ZEUIGTMMBUFOAV-AWEZNQCLSA-N 1 2 359.389 2.752 20 30 FFEDLO Cc1c[nH]c(=O)cc1NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183828489 1002400337 /nfs/dbraw/zinc/40/03/37/1002400337.db2.gz IHLQATHSUXWCQQ-GOSISDBHSA-N 1 2 350.422 2.961 20 30 FFEDLO Cc1c[nH]c(=O)cc1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183828489 1002400343 /nfs/dbraw/zinc/40/03/43/1002400343.db2.gz IHLQATHSUXWCQQ-GOSISDBHSA-N 1 2 350.422 2.961 20 30 FFEDLO C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183828270 1002400651 /nfs/dbraw/zinc/40/06/51/1002400651.db2.gz FFNIUKOZUHLSPS-HLIPFELVSA-N 1 2 355.482 2.532 20 30 FFEDLO C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183828270 1002400659 /nfs/dbraw/zinc/40/06/59/1002400659.db2.gz FFNIUKOZUHLSPS-HLIPFELVSA-N 1 2 355.482 2.532 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](Nc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001096821793 1016650746 /nfs/dbraw/zinc/65/07/46/1016650746.db2.gz SBNAFKZCBOJSQJ-IKGGRYGDSA-N 1 2 358.486 2.806 20 30 FFEDLO CCC[C@H](C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ncccc2C#N)C1 ZINC001092313775 1002663391 /nfs/dbraw/zinc/66/33/91/1002663391.db2.gz PZIOPMIHKMGFGM-USXIJHARSA-N 1 2 366.469 2.529 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2ccc(=O)[nH]c2)C1 ZINC001086600102 1002742159 /nfs/dbraw/zinc/74/21/59/1002742159.db2.gz ZWJHBMYVISGTRC-ZWKOTPCHSA-N 1 2 371.868 2.666 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2ccc(=O)[nH]c2)C1 ZINC001086600102 1002742169 /nfs/dbraw/zinc/74/21/69/1002742169.db2.gz ZWJHBMYVISGTRC-ZWKOTPCHSA-N 1 2 371.868 2.666 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110366106 1003011680 /nfs/dbraw/zinc/01/16/80/1003011680.db2.gz KCGOHPJLCYRNCI-JRJVTICQSA-N 1 2 371.456 2.900 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110366106 1003011690 /nfs/dbraw/zinc/01/16/90/1003011690.db2.gz KCGOHPJLCYRNCI-JRJVTICQSA-N 1 2 371.456 2.900 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(CC)cc1 ZINC001110377348 1003212111 /nfs/dbraw/zinc/21/21/11/1003212111.db2.gz HGSDSXHDBVXXRH-QRVBRYPASA-N 1 2 355.482 2.875 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(CC)cc1 ZINC001110377348 1003212118 /nfs/dbraw/zinc/21/21/18/1003212118.db2.gz HGSDSXHDBVXXRH-QRVBRYPASA-N 1 2 355.482 2.875 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(-c2ccccc2)no1 ZINC001110378772 1003271412 /nfs/dbraw/zinc/27/14/12/1003271412.db2.gz HHIHHKOQAJISFE-ZACQAIPSSA-N 1 2 352.438 2.924 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(-c2ccccc2)no1 ZINC001110378772 1003271420 /nfs/dbraw/zinc/27/14/20/1003271420.db2.gz HHIHHKOQAJISFE-ZACQAIPSSA-N 1 2 352.438 2.924 20 30 FFEDLO Cc1cccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096934175 1016756870 /nfs/dbraw/zinc/75/68/70/1016756870.db2.gz NYFITIHHTYXPLZ-QRQLOZEOSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096934175 1016756886 /nfs/dbraw/zinc/75/68/86/1016756886.db2.gz NYFITIHHTYXPLZ-QRQLOZEOSA-N 1 2 364.424 2.936 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H](CCNc2[nH+]cnc3c2cnn3C)C1 ZINC001092625699 1003330694 /nfs/dbraw/zinc/33/06/94/1003330694.db2.gz CJPJNMABAZCNTR-BZUAXINKSA-N 1 2 370.501 2.862 20 30 FFEDLO Cc1nc(N2CC[C@@]3(CNC(=O)[C@@H](C)C#N)CCC[C@@H]23)c2c([nH+]1)CCCC2 ZINC001092687405 1003385819 /nfs/dbraw/zinc/38/58/19/1003385819.db2.gz VVNVYFPNGHPKJS-FIKMYACPSA-N 1 2 367.497 2.689 20 30 FFEDLO N#Cc1c(=O)n(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc2c1CCCC2 ZINC000793518827 1003397902 /nfs/dbraw/zinc/39/79/02/1003397902.db2.gz WOUSCWDRDHAVHZ-QFIPXVFZSA-N 1 2 361.445 2.688 20 30 FFEDLO N#Cc1c(=O)n(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc2c1CCCC2 ZINC000793518827 1003397919 /nfs/dbraw/zinc/39/79/19/1003397919.db2.gz WOUSCWDRDHAVHZ-QFIPXVFZSA-N 1 2 361.445 2.688 20 30 FFEDLO C=C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(C)cn1)c1ccccc1 ZINC001110136589 1003592677 /nfs/dbraw/zinc/59/26/77/1003592677.db2.gz ILPGACGIKOQVQV-CGXNFDGLSA-N 1 2 362.477 2.976 20 30 FFEDLO C=C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(C)cn1)c1ccccc1 ZINC001110136589 1003592681 /nfs/dbraw/zinc/59/26/81/1003592681.db2.gz ILPGACGIKOQVQV-CGXNFDGLSA-N 1 2 362.477 2.976 20 30 FFEDLO Cc1cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)(C)C)C3)nc(C2CC2)[nH+]1 ZINC001092829610 1003624572 /nfs/dbraw/zinc/62/45/72/1003624572.db2.gz WUTDWLLHXUPMJT-IKGGRYGDSA-N 1 2 352.482 2.938 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c2c1CCCC2 ZINC001092834693 1003631555 /nfs/dbraw/zinc/63/15/55/1003631555.db2.gz VMERMCYBZFROBB-MNEFBYGVSA-N 1 2 352.482 2.693 20 30 FFEDLO C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001086623013 1003686132 /nfs/dbraw/zinc/68/61/32/1003686132.db2.gz GFCWMXPLGJFIJW-FXAWDEMLSA-N 1 2 361.449 2.732 20 30 FFEDLO C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001086623013 1003686137 /nfs/dbraw/zinc/68/61/37/1003686137.db2.gz GFCWMXPLGJFIJW-FXAWDEMLSA-N 1 2 361.449 2.732 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsn1)C2 ZINC001095597793 1016822947 /nfs/dbraw/zinc/82/29/47/1016822947.db2.gz BTJCFNGROAVLJL-PVAVHDDUSA-N 1 2 368.462 2.559 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccc2Cl)C[C@H]1O ZINC001196474863 1003781202 /nfs/dbraw/zinc/78/12/02/1003781202.db2.gz NRIBLTHITGAZGC-IAGOWNOFSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccc2Cl)C[C@H]1O ZINC001196474863 1003781207 /nfs/dbraw/zinc/78/12/07/1003781207.db2.gz NRIBLTHITGAZGC-IAGOWNOFSA-N 1 2 366.889 2.612 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsn1)C2 ZINC001095597793 1016822931 /nfs/dbraw/zinc/82/29/31/1016822931.db2.gz BTJCFNGROAVLJL-PVAVHDDUSA-N 1 2 368.462 2.559 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804761762 1003835113 /nfs/dbraw/zinc/83/51/13/1003835113.db2.gz AOBHADMOOIWXHF-OXJNMPFZSA-N 1 2 365.518 2.742 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)cn1)C2 ZINC001096987732 1016839394 /nfs/dbraw/zinc/83/93/94/1016839394.db2.gz FBNFSGBQOMMMLJ-QRQLOZEOSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)cn1)C2 ZINC001096987732 1016839410 /nfs/dbraw/zinc/83/94/10/1016839410.db2.gz FBNFSGBQOMMMLJ-QRQLOZEOSA-N 1 2 350.397 2.628 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](Cc3cnc(C)s3)C[C@H]2O)CCCCC1 ZINC001196861055 1003996057 /nfs/dbraw/zinc/99/60/57/1003996057.db2.gz QFZWIISFGSUMOC-IAGOWNOFSA-N 1 2 363.527 2.639 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)s3)C[C@H]2O)CCCCC1 ZINC001196861055 1003996062 /nfs/dbraw/zinc/99/60/62/1003996062.db2.gz QFZWIISFGSUMOC-IAGOWNOFSA-N 1 2 363.527 2.639 20 30 FFEDLO CN(C)c1cc(COC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc[nH+]1 ZINC000805590529 1004063919 /nfs/dbraw/zinc/06/39/19/1004063919.db2.gz VZYYMDNNDPCTIC-MRXNPFEDSA-N 1 2 368.412 2.728 20 30 FFEDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000805763488 1004138684 /nfs/dbraw/zinc/13/86/84/1004138684.db2.gz SGQDBPVMBYVIET-INIZCTEOSA-N 1 2 373.453 2.788 20 30 FFEDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000805763488 1004138688 /nfs/dbraw/zinc/13/86/88/1004138688.db2.gz SGQDBPVMBYVIET-INIZCTEOSA-N 1 2 373.453 2.788 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2c2ncccn2)cc1 ZINC001197448858 1004209167 /nfs/dbraw/zinc/20/91/67/1004209167.db2.gz FNFCDJSBVLRWBR-IEBWSBKVSA-N 1 2 352.438 2.510 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2c2ncccn2)cc1 ZINC001197448858 1004209175 /nfs/dbraw/zinc/20/91/75/1004209175.db2.gz FNFCDJSBVLRWBR-IEBWSBKVSA-N 1 2 352.438 2.510 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(-c2ccccc2)n1 ZINC001110497462 1004417051 /nfs/dbraw/zinc/41/70/51/1004417051.db2.gz VVBXYNBKZPGMFC-NJYVYQBISA-N 1 2 362.477 2.897 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(-c2ccccc2)n1 ZINC001110497462 1004417052 /nfs/dbraw/zinc/41/70/52/1004417052.db2.gz VVBXYNBKZPGMFC-NJYVYQBISA-N 1 2 362.477 2.897 20 30 FFEDLO C#CC[N@@H+](CN1C(=O)C(C)(C)[C@H]1c1cnn(C)c1)[C@@H]1CCc2ccccc21 ZINC000808140906 1004758970 /nfs/dbraw/zinc/75/89/70/1004758970.db2.gz QVDNAIQPAGFAAH-WOJBJXKFSA-N 1 2 362.477 2.910 20 30 FFEDLO C#CC[N@H+](CN1C(=O)C(C)(C)[C@H]1c1cnn(C)c1)[C@@H]1CCc2ccccc21 ZINC000808140906 1004758977 /nfs/dbraw/zinc/75/89/77/1004758977.db2.gz QVDNAIQPAGFAAH-WOJBJXKFSA-N 1 2 362.477 2.910 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc2n(n1)CCCC2 ZINC001110463098 1004841024 /nfs/dbraw/zinc/84/10/24/1004841024.db2.gz RBTMNQDSEXFHAF-RLLQIKCJSA-N 1 2 354.498 2.635 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc2n(n1)CCCC2 ZINC001110463098 1004841029 /nfs/dbraw/zinc/84/10/29/1004841029.db2.gz RBTMNQDSEXFHAF-RLLQIKCJSA-N 1 2 354.498 2.635 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)Nc1ccccc1 ZINC001110464046 1004855478 /nfs/dbraw/zinc/85/54/78/1004855478.db2.gz FTIGMJDMMQNHNS-NBYUQASBSA-N 1 2 367.493 2.929 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)Nc1ccccc1 ZINC001110464046 1004855484 /nfs/dbraw/zinc/85/54/84/1004855484.db2.gz FTIGMJDMMQNHNS-NBYUQASBSA-N 1 2 367.493 2.929 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)cc2F)C[C@H]1O ZINC001195337690 1004941635 /nfs/dbraw/zinc/94/16/35/1004941635.db2.gz FNRPTKNAAAIHDL-GDIGMMSISA-N 1 2 364.436 2.771 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)cc2F)C[C@H]1O ZINC001195337690 1004941640 /nfs/dbraw/zinc/94/16/40/1004941640.db2.gz FNRPTKNAAAIHDL-GDIGMMSISA-N 1 2 364.436 2.771 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccc2Cl)C[C@H]1O ZINC001195533044 1004986444 /nfs/dbraw/zinc/98/64/44/1004986444.db2.gz XDVOTAJKVHKTFN-MORSLUCNSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccc2Cl)C[C@H]1O ZINC001195533044 1004986448 /nfs/dbraw/zinc/98/64/48/1004986448.db2.gz XDVOTAJKVHKTFN-MORSLUCNSA-N 1 2 366.889 2.612 20 30 FFEDLO CCCC[C@H](CNc1ccc(C#N)cn1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001114314041 1005124679 /nfs/dbraw/zinc/12/46/79/1005124679.db2.gz NTCFZUUSGHGFRD-BRWVUGGUSA-N 1 2 366.469 2.577 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)C1CC1 ZINC001110569801 1005255455 /nfs/dbraw/zinc/25/54/55/1005255455.db2.gz ZXDSAVFAVUJVKX-MXEMCNAFSA-N 1 2 370.468 2.714 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)C1CC1 ZINC001110569801 1005255456 /nfs/dbraw/zinc/25/54/56/1005255456.db2.gz ZXDSAVFAVUJVKX-MXEMCNAFSA-N 1 2 370.468 2.714 20 30 FFEDLO C=CCC(C)(C)C(=O)NCCC1=CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001489012445 1005394493 /nfs/dbraw/zinc/39/44/93/1005394493.db2.gz YWMAGAVJXJHIOX-IAGOWNOFSA-N 1 2 370.497 2.781 20 30 FFEDLO C=CCC(C)(C)C(=O)NCCC1=CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001489012445 1005394494 /nfs/dbraw/zinc/39/44/94/1005394494.db2.gz YWMAGAVJXJHIOX-IAGOWNOFSA-N 1 2 370.497 2.781 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)CCOC)C1 ZINC001489096255 1005407564 /nfs/dbraw/zinc/40/75/64/1005407564.db2.gz HJJZLNIAMZIJJA-ROUUACIJSA-N 1 2 366.889 2.758 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)CCOC)C1 ZINC001489096255 1005407566 /nfs/dbraw/zinc/40/75/66/1005407566.db2.gz HJJZLNIAMZIJJA-ROUUACIJSA-N 1 2 366.889 2.758 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@H+](CC(=O)NCc2cccs2)[C@@H]1C ZINC001489289204 1005449754 /nfs/dbraw/zinc/44/97/54/1005449754.db2.gz WVCJLAOKAOUCMY-ALKREAHSSA-N 1 2 363.527 2.546 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2cccs2)[C@@H]1C ZINC001489289204 1005449756 /nfs/dbraw/zinc/44/97/56/1005449756.db2.gz WVCJLAOKAOUCMY-ALKREAHSSA-N 1 2 363.527 2.546 20 30 FFEDLO CCC[C@@H]1C[C@H]1C(=O)NCCCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001490475921 1005723497 /nfs/dbraw/zinc/72/34/97/1005723497.db2.gz ZWLVPFHCVMLHGN-NHCUHLMSSA-N 1 2 368.525 2.618 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncoc3C(C)C)C[C@H]21 ZINC001187226128 1005966271 /nfs/dbraw/zinc/96/62/71/1005966271.db2.gz OJXDSOIMJXZBBX-SOLBZPMBSA-N 1 2 361.486 2.812 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ncoc3C(C)C)C[C@H]21 ZINC001187226128 1005966275 /nfs/dbraw/zinc/96/62/75/1005966275.db2.gz OJXDSOIMJXZBBX-SOLBZPMBSA-N 1 2 361.486 2.812 20 30 FFEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1 ZINC000852319381 1005975245 /nfs/dbraw/zinc/97/52/45/1005975245.db2.gz LOQYLGSMBAXUKE-INIZCTEOSA-N 1 2 368.481 2.923 20 30 FFEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1 ZINC000852319381 1005975250 /nfs/dbraw/zinc/97/52/50/1005975250.db2.gz LOQYLGSMBAXUKE-INIZCTEOSA-N 1 2 368.481 2.923 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(Cl)nc3)C[C@H]21 ZINC001187217690 1005984498 /nfs/dbraw/zinc/98/44/98/1005984498.db2.gz UDZWMRCYBOTPDN-HYVNUMGLSA-N 1 2 363.889 2.749 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(Cl)nc3)C[C@H]21 ZINC001187217690 1005984505 /nfs/dbraw/zinc/98/45/05/1005984505.db2.gz UDZWMRCYBOTPDN-HYVNUMGLSA-N 1 2 363.889 2.749 20 30 FFEDLO C#C[C@H](NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C1CCOCC1 ZINC000852359276 1005992025 /nfs/dbraw/zinc/99/20/25/1005992025.db2.gz OUHZVFPBTBRMSU-KRWDZBQOSA-N 1 2 372.856 2.753 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC001187295593 1006020897 /nfs/dbraw/zinc/02/08/97/1006020897.db2.gz DLQUQLMGIPBZTC-XJKSGUPXSA-N 1 2 352.837 2.714 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC001187295593 1006020910 /nfs/dbraw/zinc/02/09/10/1006020910.db2.gz DLQUQLMGIPBZTC-XJKSGUPXSA-N 1 2 352.837 2.714 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3ccccc3)c1)C2 ZINC001095715889 1017042396 /nfs/dbraw/zinc/04/23/96/1017042396.db2.gz NOUPLMPNGFMVDD-SQNIBIBYSA-N 1 2 356.857 2.960 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3ccccc3)c1)C2 ZINC001095715889 1017042416 /nfs/dbraw/zinc/04/24/16/1017042416.db2.gz NOUPLMPNGFMVDD-SQNIBIBYSA-N 1 2 356.857 2.960 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1ccc(F)c(C#N)c1OC)C[NH2+]C2(C)C ZINC001170763802 1006424864 /nfs/dbraw/zinc/42/48/64/1006424864.db2.gz LDDFEWCIHOLFER-UHFFFAOYSA-N 1 2 373.388 2.989 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001188244774 1006460358 /nfs/dbraw/zinc/46/03/58/1006460358.db2.gz AWKQKYNNGBIESD-MSOLQXFVSA-N 1 2 368.502 2.951 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001188244774 1006460362 /nfs/dbraw/zinc/46/03/62/1006460362.db2.gz AWKQKYNNGBIESD-MSOLQXFVSA-N 1 2 368.502 2.951 20 30 FFEDLO COC(=O)C1(CO[NH+]=C(N)c2ccc(COc3ccccc3F)cc2)CC1 ZINC000853657382 1006495951 /nfs/dbraw/zinc/49/59/51/1006495951.db2.gz DGKWFSQJYQHDIF-UHFFFAOYSA-N 1 2 372.396 2.995 20 30 FFEDLO NC(=[NH+]OCCO[C@@H]1CC1(F)F)c1ccc(OCc2cccnc2)cc1 ZINC000853658686 1006496081 /nfs/dbraw/zinc/49/60/81/1006496081.db2.gz KXDOWDRPXKCQHI-MRXNPFEDSA-N 1 2 363.364 2.722 20 30 FFEDLO C=CCN(C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)[C@@H](C)COC ZINC000853790709 1006537273 /nfs/dbraw/zinc/53/72/73/1006537273.db2.gz JEYQCVRPLBRYOZ-KRWDZBQOSA-N 1 2 374.529 2.954 20 30 FFEDLO C#CCC1(O)CCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000883716614 1006965017 /nfs/dbraw/zinc/96/50/17/1006965017.db2.gz NVTDVJSGQCBSJC-UHFFFAOYSA-N 1 2 372.856 2.586 20 30 FFEDLO C#Cc1ccc(CNc2ccc(N3CCN(C(=O)OC)CC3)[nH+]c2)cc1 ZINC000816659414 1007155385 /nfs/dbraw/zinc/15/53/85/1007155385.db2.gz MUHJKWRPHWDONO-UHFFFAOYSA-N 1 2 350.422 2.563 20 30 FFEDLO C#C[C@@H](NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2)[C@H]1CCCO1 ZINC000775340633 1007401953 /nfs/dbraw/zinc/40/19/53/1007401953.db2.gz LTFXZTUZHQZHFD-YLJYHZDGSA-N 1 2 363.461 2.523 20 30 FFEDLO C#C[C@@H](NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2)[C@H]1CCCO1 ZINC000775340633 1007401957 /nfs/dbraw/zinc/40/19/57/1007401957.db2.gz LTFXZTUZHQZHFD-YLJYHZDGSA-N 1 2 363.461 2.523 20 30 FFEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)nc1-c1cnccn1 ZINC000884481507 1007460247 /nfs/dbraw/zinc/46/02/47/1007460247.db2.gz LYTXNQDMZKSTPJ-GOEBONIOSA-N 1 2 372.498 2.515 20 30 FFEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)nc1-c1cnccn1 ZINC000884481507 1007460253 /nfs/dbraw/zinc/46/02/53/1007460253.db2.gz LYTXNQDMZKSTPJ-GOEBONIOSA-N 1 2 372.498 2.515 20 30 FFEDLO N#Cc1cccc(C(=O)N2CC[NH+](Cc3c[nH]c4ncccc34)CC2)c1F ZINC001190537230 1007684646 /nfs/dbraw/zinc/68/46/46/1007684646.db2.gz JCBYYYSHBXJADV-UHFFFAOYSA-N 1 2 363.396 2.532 20 30 FFEDLO Cc1ccc2[nH+]cc(CNS(=O)(=O)c3cc(C#N)ccc3Cl)n2c1 ZINC001190986096 1007861505 /nfs/dbraw/zinc/86/15/05/1007861505.db2.gz OYGRSRIKRYKYIU-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO CC(C)(C)OC(=O)NCC[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C(F)F ZINC000819342624 1008102566 /nfs/dbraw/zinc/10/25/66/1008102566.db2.gz AACZEEBUNDGHCN-HUUCEWRRSA-N 1 2 369.412 2.730 20 30 FFEDLO Cc1ccc(O[C@@H]2CC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)nc1 ZINC000858042006 1008287285 /nfs/dbraw/zinc/28/72/85/1008287285.db2.gz NODRXEAAQIZBOL-CVEARBPZSA-N 1 2 368.462 2.582 20 30 FFEDLO Cc1ccc(O[C@@H]2CC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)nc1 ZINC000858042006 1008287291 /nfs/dbraw/zinc/28/72/91/1008287291.db2.gz NODRXEAAQIZBOL-CVEARBPZSA-N 1 2 368.462 2.582 20 30 FFEDLO Cc1ccc(O[C@H]2CC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)nc1 ZINC000858042008 1008287406 /nfs/dbraw/zinc/28/74/06/1008287406.db2.gz NODRXEAAQIZBOL-HOTGVXAUSA-N 1 2 368.462 2.582 20 30 FFEDLO Cc1ccc(O[C@H]2CC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)nc1 ZINC000858042008 1008287409 /nfs/dbraw/zinc/28/74/09/1008287409.db2.gz NODRXEAAQIZBOL-HOTGVXAUSA-N 1 2 368.462 2.582 20 30 FFEDLO C#C[C@@H](C)NC(=O)N(CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000820441929 1008331971 /nfs/dbraw/zinc/33/19/71/1008331971.db2.gz ZVPOTHVOZVRJIS-QGZVFWFLSA-N 1 2 354.454 2.905 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C[C@H]1C ZINC001206536848 1032333287 /nfs/dbraw/zinc/33/32/87/1032333287.db2.gz BBHVVPZNXYCLKZ-MLGOLLRUSA-N 1 2 367.852 2.820 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C[C@H]1C ZINC001206536848 1032333294 /nfs/dbraw/zinc/33/32/94/1032333294.db2.gz BBHVVPZNXYCLKZ-MLGOLLRUSA-N 1 2 367.852 2.820 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C)C[C@H]1C ZINC001206537003 1032333810 /nfs/dbraw/zinc/33/38/10/1032333810.db2.gz HGMXOHABYYRDJZ-RHSMWYFYSA-N 1 2 363.889 2.990 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C)C[C@H]1C ZINC001206537003 1032333818 /nfs/dbraw/zinc/33/38/18/1032333818.db2.gz HGMXOHABYYRDJZ-RHSMWYFYSA-N 1 2 363.889 2.990 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(F)c3)o2)C[C@H]1C ZINC001206543803 1032335801 /nfs/dbraw/zinc/33/58/01/1032335801.db2.gz AEYCBCSYUFRPAV-CZUORRHYSA-N 1 2 358.417 2.778 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3cccc(F)c3)o2)C[C@H]1C ZINC001206543803 1032335816 /nfs/dbraw/zinc/33/58/16/1032335816.db2.gz AEYCBCSYUFRPAV-CZUORRHYSA-N 1 2 358.417 2.778 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)CC)CCCC1 ZINC001110212406 1008682656 /nfs/dbraw/zinc/68/26/56/1008682656.db2.gz BQYKHJPCDOAGGW-MHORFTMASA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)CC)CCCC1 ZINC001110212406 1008682664 /nfs/dbraw/zinc/68/26/64/1008682664.db2.gz BQYKHJPCDOAGGW-MHORFTMASA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCCC[C@H](C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1)c1ccccc1 ZINC001177740499 1008730431 /nfs/dbraw/zinc/73/04/31/1008730431.db2.gz PRJDTLBBFDZZSG-FQEVSTJZSA-N 1 2 371.525 2.749 20 30 FFEDLO C=CCCC[C@H](C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1)c1ccccc1 ZINC001177740499 1008730442 /nfs/dbraw/zinc/73/04/42/1008730442.db2.gz PRJDTLBBFDZZSG-FQEVSTJZSA-N 1 2 371.525 2.749 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3cccs3)on2)C[C@H]1C ZINC001206578995 1032348699 /nfs/dbraw/zinc/34/86/99/1032348699.db2.gz MDIAUYSMEOEBBU-UKRRQHHQSA-N 1 2 361.467 2.542 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3cccs3)on2)C[C@H]1C ZINC001206578995 1032348705 /nfs/dbraw/zinc/34/87/05/1032348705.db2.gz MDIAUYSMEOEBBU-UKRRQHHQSA-N 1 2 361.467 2.542 20 30 FFEDLO CC(C)OC(=O)C1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000886724116 1008845164 /nfs/dbraw/zinc/84/51/64/1008845164.db2.gz XKFHOAPUILSTLT-UHFFFAOYSA-N 1 2 354.410 2.772 20 30 FFEDLO C#CC[C@@H](CCOC)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000860467202 1009015486 /nfs/dbraw/zinc/01/54/86/1009015486.db2.gz GLXRPCKULXZJSC-SCTDSRPQSA-N 1 2 373.497 2.846 20 30 FFEDLO C#CC[C@@H](CCOC)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000860467202 1009015499 /nfs/dbraw/zinc/01/54/99/1009015499.db2.gz GLXRPCKULXZJSC-SCTDSRPQSA-N 1 2 373.497 2.846 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCOCC2)C3)c(F)c1 ZINC001095368461 1009046605 /nfs/dbraw/zinc/04/66/05/1009046605.db2.gz CSDNHCDWUBAFKT-BEKAIBRUSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCOCC2)C3)c(F)c1 ZINC001095368461 1009046621 /nfs/dbraw/zinc/04/66/21/1009046621.db2.gz CSDNHCDWUBAFKT-BEKAIBRUSA-N 1 2 371.456 2.736 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3)s2)C[C@H]1C ZINC001206645070 1032375239 /nfs/dbraw/zinc/37/52/39/1032375239.db2.gz AXKWYLBSAXHHBQ-SQWLQELKSA-N 1 2 354.479 2.906 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3)s2)C[C@H]1C ZINC001206645070 1032375250 /nfs/dbraw/zinc/37/52/50/1032375250.db2.gz AXKWYLBSAXHHBQ-SQWLQELKSA-N 1 2 354.479 2.906 20 30 FFEDLO C#CC[C@@H](CCOC)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000860608346 1009080652 /nfs/dbraw/zinc/08/06/52/1009080652.db2.gz AGXVCYOSBIKZSS-WMZOPIPTSA-N 1 2 359.470 2.630 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C(C)(C)C)C[C@H]1C ZINC001206662481 1032379430 /nfs/dbraw/zinc/37/94/30/1032379430.db2.gz LCNOHKQLUQLVHM-HDMKZQKVSA-N 1 2 370.497 2.519 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C(C)(C)C)C[C@H]1C ZINC001206662481 1032379440 /nfs/dbraw/zinc/37/94/40/1032379440.db2.gz LCNOHKQLUQLVHM-HDMKZQKVSA-N 1 2 370.497 2.519 20 30 FFEDLO N#Cc1ccc([C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CCO2)cc1 ZINC001179404188 1009325003 /nfs/dbraw/zinc/32/50/03/1009325003.db2.gz BBGHHGYTTMGZRZ-FQEVSTJZSA-N 1 2 358.401 2.958 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001092948116 1009416960 /nfs/dbraw/zinc/41/69/60/1009416960.db2.gz VDQSKFOHEVDSLG-DDBAPUKQSA-N 1 2 358.486 2.609 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c2c1CCCC2 ZINC001092972909 1009533153 /nfs/dbraw/zinc/53/31/53/1009533153.db2.gz VMERMCYBZFROBB-LZQZEXGQSA-N 1 2 352.482 2.693 20 30 FFEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F)n1cccc1 ZINC001095318428 1009861129 /nfs/dbraw/zinc/86/11/29/1009861129.db2.gz YKGSVVHHXFVEFL-JBCDFXQESA-N 1 2 366.440 2.982 20 30 FFEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F)n1cccc1 ZINC001095318428 1009861147 /nfs/dbraw/zinc/86/11/47/1009861147.db2.gz YKGSVVHHXFVEFL-JBCDFXQESA-N 1 2 366.440 2.982 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000889234774 1009880237 /nfs/dbraw/zinc/88/02/37/1009880237.db2.gz VAQBDNQHJIAKOJ-DOTOQJQBSA-N 1 2 357.364 2.798 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000889234774 1009880249 /nfs/dbraw/zinc/88/02/49/1009880249.db2.gz VAQBDNQHJIAKOJ-DOTOQJQBSA-N 1 2 357.364 2.798 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)Cc3cc[nH+]c(N)c3)CC2)cc1Cl ZINC001181257838 1010061489 /nfs/dbraw/zinc/06/14/89/1010061489.db2.gz XBEKJOYENAXXQY-UHFFFAOYSA-N 1 2 370.840 2.801 20 30 FFEDLO CC[NH+](CC)[C@@H](C(=O)N1CCN(CCC#N)CC1)c1ccccc1Cl ZINC001182228601 1010438865 /nfs/dbraw/zinc/43/88/65/1010438865.db2.gz YQOTUGOFTXRIFU-GOSISDBHSA-N 1 2 362.905 2.781 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)/C=C\c1ccc[nH]1 ZINC001206903402 1032489064 /nfs/dbraw/zinc/48/90/64/1032489064.db2.gz ZYNFZZZNGOCZLF-OTDGITGUSA-N 1 2 352.413 2.675 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)/C=C\c1ccc[nH]1 ZINC001206903402 1032489072 /nfs/dbraw/zinc/48/90/72/1032489072.db2.gz ZYNFZZZNGOCZLF-OTDGITGUSA-N 1 2 352.413 2.675 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)/C=C/c1ccc[nH]1 ZINC001206903403 1032489803 /nfs/dbraw/zinc/48/98/03/1032489803.db2.gz ZYNFZZZNGOCZLF-UAIYZZEASA-N 1 2 352.413 2.675 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)/C=C/c1ccc[nH]1 ZINC001206903403 1032489806 /nfs/dbraw/zinc/48/98/06/1032489806.db2.gz ZYNFZZZNGOCZLF-UAIYZZEASA-N 1 2 352.413 2.675 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3cc(C)ccc3o1)C2 ZINC001110152747 1010809069 /nfs/dbraw/zinc/80/90/69/1010809069.db2.gz DUHDOVSCDMZJCO-SQNIBIBYSA-N 1 2 352.434 2.726 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3cc(C)ccc3o1)C2 ZINC001110152747 1010809074 /nfs/dbraw/zinc/80/90/74/1010809074.db2.gz DUHDOVSCDMZJCO-SQNIBIBYSA-N 1 2 352.434 2.726 20 30 FFEDLO CC(C)(C)OC(=O)C[NH+]1CCC(Nc2nc3ncccc3cc2C#N)CC1 ZINC000866169243 1010944028 /nfs/dbraw/zinc/94/40/28/1010944028.db2.gz DKSFAWCDKVZJJB-UHFFFAOYSA-N 1 2 367.453 2.719 20 30 FFEDLO C[C@@H]1C[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@]2(CCCOC2)O1 ZINC000794904726 1010960752 /nfs/dbraw/zinc/96/07/52/1010960752.db2.gz XYLQTEJYBVMLPM-UZLBHIALSA-N 1 2 352.438 2.649 20 30 FFEDLO C[C@@H]1C[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@]2(CCCOC2)O1 ZINC000794904726 1010960759 /nfs/dbraw/zinc/96/07/59/1010960759.db2.gz XYLQTEJYBVMLPM-UZLBHIALSA-N 1 2 352.438 2.649 20 30 FFEDLO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1)c1cccc(C#N)c1O ZINC000866245220 1010961184 /nfs/dbraw/zinc/96/11/84/1010961184.db2.gz KRDKXCOONOGNQP-HNNXBMFYSA-N 1 2 365.433 2.587 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2coc(C#N)c2)[C@H](C)C1 ZINC000868058206 1011156189 /nfs/dbraw/zinc/15/61/89/1011156189.db2.gz LUWCKIKDTXGJPH-OAHLLOKOSA-N 1 2 353.422 2.896 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2coc(C#N)c2)[C@H](C)C1 ZINC000868058206 1011156191 /nfs/dbraw/zinc/15/61/91/1011156191.db2.gz LUWCKIKDTXGJPH-OAHLLOKOSA-N 1 2 353.422 2.896 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001110860414 1011256816 /nfs/dbraw/zinc/25/68/16/1011256816.db2.gz ZPETUUSVBMHCGN-XSYGEPLQSA-N 1 2 361.461 2.671 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001110860414 1011256826 /nfs/dbraw/zinc/25/68/26/1011256826.db2.gz ZPETUUSVBMHCGN-XSYGEPLQSA-N 1 2 361.461 2.671 20 30 FFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 ZINC000795035381 1011453915 /nfs/dbraw/zinc/45/39/15/1011453915.db2.gz WNHHZMMVJHMEBX-CEXWTWQISA-N 1 2 372.465 2.741 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COc3cc(F)ccc3C1)C2 ZINC001095413448 1012078165 /nfs/dbraw/zinc/07/81/65/1012078165.db2.gz ZQVXBEZSHFGZMK-ORQFMDKSSA-N 1 2 364.848 2.851 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COc3cc(F)ccc3C1)C2 ZINC001095413448 1012078183 /nfs/dbraw/zinc/07/81/83/1012078183.db2.gz ZQVXBEZSHFGZMK-ORQFMDKSSA-N 1 2 364.848 2.851 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Cl)ncc1F ZINC001275233752 1012118838 /nfs/dbraw/zinc/11/88/38/1012118838.db2.gz CZHULORFZWADRQ-HUUCEWRRSA-N 1 2 350.825 2.743 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)ncc1F ZINC001275233752 1012118845 /nfs/dbraw/zinc/11/88/45/1012118845.db2.gz CZHULORFZWADRQ-HUUCEWRRSA-N 1 2 350.825 2.743 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(C#N)ccc1Cl)C2 ZINC001275234683 1012122558 /nfs/dbraw/zinc/12/25/58/1012122558.db2.gz RAMNOEHXAPJFCR-HXUWFJFHSA-N 1 2 373.884 2.839 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(C#N)ccc1Cl)C2 ZINC001275234683 1012122565 /nfs/dbraw/zinc/12/25/65/1012122565.db2.gz RAMNOEHXAPJFCR-HXUWFJFHSA-N 1 2 373.884 2.839 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)C[C@H]1C#N ZINC001172989519 1012155922 /nfs/dbraw/zinc/15/59/22/1012155922.db2.gz PGUCHEZSTHBTDO-KKUMJFAQSA-N 1 2 363.483 2.552 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)C[C@H]1C#N ZINC001172989519 1012155932 /nfs/dbraw/zinc/15/59/32/1012155932.db2.gz PGUCHEZSTHBTDO-KKUMJFAQSA-N 1 2 363.483 2.552 20 30 FFEDLO COc1cccc([C@@H]2CN(C(=O)[C@@H](C)Oc3ccc(C#N)cc3)CC[NH2+]2)c1 ZINC000870146991 1012201452 /nfs/dbraw/zinc/20/14/52/1012201452.db2.gz IECFGUSINXGIBO-QRWLVFNGSA-N 1 2 365.433 2.507 20 30 FFEDLO COc1cccc2c1C[C@H]([NH+]1CCN(c3ccc(C#N)cc3F)CC1)CO2 ZINC001173165952 1012281898 /nfs/dbraw/zinc/28/18/98/1012281898.db2.gz QAKCEEJZEBVYEA-INIZCTEOSA-N 1 2 367.424 2.832 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccncc2)C3)c(F)c1 ZINC001095102363 1012423590 /nfs/dbraw/zinc/42/35/90/1012423590.db2.gz QBQUDLIGCRHKAK-NEWSRXKRSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccncc2)C3)c(F)c1 ZINC001095102363 1012423598 /nfs/dbraw/zinc/42/35/98/1012423598.db2.gz QBQUDLIGCRHKAK-NEWSRXKRSA-N 1 2 350.397 2.628 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Br)o1 ZINC001275571379 1012631029 /nfs/dbraw/zinc/63/10/29/1012631029.db2.gz JKNKOSMMNZUNSW-ZIAGYGMSSA-N 1 2 366.259 2.911 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Br)o1 ZINC001275571379 1012631035 /nfs/dbraw/zinc/63/10/35/1012631035.db2.gz JKNKOSMMNZUNSW-ZIAGYGMSSA-N 1 2 366.259 2.911 20 30 FFEDLO N#CCc1ccccc1CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000870990865 1012670051 /nfs/dbraw/zinc/67/00/51/1012670051.db2.gz CFVAGUCKDZHMCW-UHFFFAOYSA-N 1 2 366.490 2.560 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(Br)c1F ZINC001275631748 1012734456 /nfs/dbraw/zinc/73/44/56/1012734456.db2.gz QXPWJGGJNRBTKW-HUUCEWRRSA-N 1 2 365.246 2.787 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(Br)c1F ZINC001275631748 1012734474 /nfs/dbraw/zinc/73/44/74/1012734474.db2.gz QXPWJGGJNRBTKW-HUUCEWRRSA-N 1 2 365.246 2.787 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(C)cnc1Cl)C2 ZINC001275661137 1012785981 /nfs/dbraw/zinc/78/59/81/1012785981.db2.gz ILYFWCWVWFCIPO-LJQANCHMSA-N 1 2 363.889 2.670 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(C)cnc1Cl)C2 ZINC001275661137 1012785997 /nfs/dbraw/zinc/78/59/97/1012785997.db2.gz ILYFWCWVWFCIPO-LJQANCHMSA-N 1 2 363.889 2.670 20 30 FFEDLO CC(C)(C)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1C#N ZINC001275676252 1012828121 /nfs/dbraw/zinc/82/81/21/1012828121.db2.gz MNQMGDABZWENLH-QZTJIDSGSA-N 1 2 353.466 2.739 20 30 FFEDLO CC(C)(C)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1C#N ZINC001275676252 1012828135 /nfs/dbraw/zinc/82/81/35/1012828135.db2.gz MNQMGDABZWENLH-QZTJIDSGSA-N 1 2 353.466 2.739 20 30 FFEDLO C=CC[C@@H]([NH2+]C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1)C(=O)OC ZINC001173770497 1012962884 /nfs/dbraw/zinc/96/28/84/1012962884.db2.gz CEYYZHSRJHQSFO-MRXNPFEDSA-N 1 2 368.836 2.791 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C(C)C)n1 ZINC001055200882 1017148499 /nfs/dbraw/zinc/14/84/99/1017148499.db2.gz KUGDMMAFVGGWHY-ZBRFXRBCSA-N 1 2 370.497 2.725 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001055228127 1017184753 /nfs/dbraw/zinc/18/47/53/1017184753.db2.gz WXLWWIQLAAQOPY-GFEQUFNTSA-N 1 2 370.497 2.609 20 30 FFEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001050958555 1017186026 /nfs/dbraw/zinc/18/60/26/1017186026.db2.gz UQDLUEWARAAKAP-AQNXPRMDSA-N 1 2 358.482 2.547 20 30 FFEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001050958555 1017186035 /nfs/dbraw/zinc/18/60/35/1017186035.db2.gz UQDLUEWARAAKAP-AQNXPRMDSA-N 1 2 358.482 2.547 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001097223667 1017216924 /nfs/dbraw/zinc/21/69/24/1017216924.db2.gz AILCZQLPXVMJGE-KURKYZTESA-N 1 2 354.429 2.744 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001097223667 1017216934 /nfs/dbraw/zinc/21/69/34/1017216934.db2.gz AILCZQLPXVMJGE-KURKYZTESA-N 1 2 354.429 2.744 20 30 FFEDLO Cc1cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C#N)c[nH]2)C3)nc(C(C)C)[nH+]1 ZINC001055305932 1017278646 /nfs/dbraw/zinc/27/86/46/1017278646.db2.gz DZHASYJQBQIVHM-INMHGKMJSA-N 1 2 364.453 2.648 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2cncs2)C3)ccc1F ZINC001097271768 1017285770 /nfs/dbraw/zinc/28/57/70/1017285770.db2.gz CJIIOXSOQAIUIS-OLMNPRSZSA-N 1 2 370.453 2.618 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2cncs2)C3)ccc1F ZINC001097271768 1017285774 /nfs/dbraw/zinc/28/57/74/1017285774.db2.gz CJIIOXSOQAIUIS-OLMNPRSZSA-N 1 2 370.453 2.618 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCN(c3ccccc3)C1)C2 ZINC001097314284 1017335023 /nfs/dbraw/zinc/33/50/23/1017335023.db2.gz VPFQZGJVNTXIEX-AITUJVMLSA-N 1 2 359.901 2.987 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCN(c3ccccc3)C1)C2 ZINC001097314284 1017335036 /nfs/dbraw/zinc/33/50/36/1017335036.db2.gz VPFQZGJVNTXIEX-AITUJVMLSA-N 1 2 359.901 2.987 20 30 FFEDLO Cc1nc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC#Cc4ccccc4)[C@@H]3C2)c(C)o1 ZINC001222039958 1032688568 /nfs/dbraw/zinc/68/85/68/1032688568.db2.gz HBJGWEOYDQZWKZ-TZIWHRDSSA-N 1 2 363.461 2.766 20 30 FFEDLO Cc1nc(C[N@H+]2CC[C@@H]3CN(C(=O)CC#Cc4ccccc4)[C@@H]3C2)c(C)o1 ZINC001222039958 1032688570 /nfs/dbraw/zinc/68/85/70/1032688570.db2.gz HBJGWEOYDQZWKZ-TZIWHRDSSA-N 1 2 363.461 2.766 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001057760603 1017405926 /nfs/dbraw/zinc/40/59/26/1017405926.db2.gz XBXPIUDROGTZFC-ZACQAIPSSA-N 1 2 356.470 2.656 20 30 FFEDLO C[NH+](C)Cc1csc(CNC(=O)N2CCc3c(CC#N)cccc3C2)n1 ZINC000924788464 1017483565 /nfs/dbraw/zinc/48/35/65/1017483565.db2.gz NZGAVLOBVZKVAI-UHFFFAOYSA-N 1 2 369.494 2.539 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001055462786 1017553237 /nfs/dbraw/zinc/55/32/37/1017553237.db2.gz WXLWWIQLAAQOPY-QQXKLLMISA-N 1 2 370.497 2.609 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(F)c[nH]2)C3)ccc1F ZINC001097560256 1017622417 /nfs/dbraw/zinc/62/24/17/1017622417.db2.gz JMUNMKVUJRIXMU-KYJSFNMBSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(F)c[nH]2)C3)ccc1F ZINC001097560256 1017622425 /nfs/dbraw/zinc/62/24/25/1017622425.db2.gz JMUNMKVUJRIXMU-KYJSFNMBSA-N 1 2 356.376 2.700 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)nc3onc(C)c31)C2 ZINC001097600550 1017689988 /nfs/dbraw/zinc/68/99/88/1017689988.db2.gz SZJDBVMIPVRVLI-YUELXQCFSA-N 1 2 360.845 2.927 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)nc3onc(C)c31)C2 ZINC001097600550 1017689993 /nfs/dbraw/zinc/68/99/93/1017689993.db2.gz SZJDBVMIPVRVLI-YUELXQCFSA-N 1 2 360.845 2.927 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(CNc2cc[nH+]c(C)n2)C1 ZINC001055690253 1017895502 /nfs/dbraw/zinc/89/55/02/1017895502.db2.gz UCLNMKOMYPJRAS-VKRLORBYSA-N 1 2 370.497 2.807 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001222069430 1032732532 /nfs/dbraw/zinc/73/25/32/1032732532.db2.gz PDCNESHHNDOOCX-HBUWYVDXSA-N 1 2 350.409 2.589 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001222069430 1032732548 /nfs/dbraw/zinc/73/25/48/1032732548.db2.gz PDCNESHHNDOOCX-HBUWYVDXSA-N 1 2 350.409 2.589 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)c1 ZINC001097812652 1017977594 /nfs/dbraw/zinc/97/75/94/1017977594.db2.gz VQLMEKKUFZKGGY-VSKRKVRLSA-N 1 2 373.431 2.589 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)c1 ZINC001097812652 1017977605 /nfs/dbraw/zinc/97/76/05/1017977605.db2.gz VQLMEKKUFZKGGY-VSKRKVRLSA-N 1 2 373.431 2.589 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(O)ccc3Cl)C[C@H]21 ZINC001222072817 1032735319 /nfs/dbraw/zinc/73/53/19/1032735319.db2.gz XWJLLVICBRGWBE-HBUWYVDXSA-N 1 2 364.873 2.669 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(O)ccc3Cl)C[C@H]21 ZINC001222072817 1032735333 /nfs/dbraw/zinc/73/53/33/1032735333.db2.gz XWJLLVICBRGWBE-HBUWYVDXSA-N 1 2 364.873 2.669 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3cccc(C)c3n1)C2 ZINC001098038933 1019107902 /nfs/dbraw/zinc/10/79/02/1019107902.db2.gz OQKZBOTXRJCHNC-ZACQAIPSSA-N 1 2 358.873 2.659 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3cccc(C)c3n1)C2 ZINC001098038933 1019107909 /nfs/dbraw/zinc/10/79/09/1019107909.db2.gz OQKZBOTXRJCHNC-ZACQAIPSSA-N 1 2 358.873 2.659 20 30 FFEDLO C=C1CCC(C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001067711749 1019115330 /nfs/dbraw/zinc/11/53/30/1019115330.db2.gz DECITNCSZYWRCQ-IAGOWNOFSA-N 1 2 358.486 2.567 20 30 FFEDLO C=C1CCC(C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001067711749 1019115336 /nfs/dbraw/zinc/11/53/36/1019115336.db2.gz DECITNCSZYWRCQ-IAGOWNOFSA-N 1 2 358.486 2.567 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)ccn1 ZINC001098070505 1019305981 /nfs/dbraw/zinc/30/59/81/1019305981.db2.gz WFTPQLBTPFFWTO-RLLQIKCJSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)ccn1 ZINC001098070505 1019305994 /nfs/dbraw/zinc/30/59/94/1019305994.db2.gz WFTPQLBTPFFWTO-RLLQIKCJSA-N 1 2 364.424 2.936 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)c1ncccn1 ZINC001096216021 1019381488 /nfs/dbraw/zinc/38/14/88/1019381488.db2.gz MRQLDMZEAFREDP-SQNIBIBYSA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)c1ncccn1 ZINC001096216021 1019381504 /nfs/dbraw/zinc/38/15/04/1019381504.db2.gz MRQLDMZEAFREDP-SQNIBIBYSA-N 1 2 366.852 2.517 20 30 FFEDLO C#CCCCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]21 ZINC001217669938 1032829362 /nfs/dbraw/zinc/82/93/62/1032829362.db2.gz QCFNPTFVWRWYPN-RBUKOAKNSA-N 1 2 360.885 2.945 20 30 FFEDLO C#CCCCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@H]21 ZINC001217669938 1032829378 /nfs/dbraw/zinc/82/93/78/1032829378.db2.gz QCFNPTFVWRWYPN-RBUKOAKNSA-N 1 2 360.885 2.945 20 30 FFEDLO C=CCCCC(=O)N1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001069778091 1019595284 /nfs/dbraw/zinc/59/52/84/1019595284.db2.gz LPOBCKKTPLQTJQ-LZJOCLMNSA-N 1 2 370.497 2.711 20 30 FFEDLO C=CCCCC(=O)N1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001069778091 1019595293 /nfs/dbraw/zinc/59/52/93/1019595293.db2.gz LPOBCKKTPLQTJQ-LZJOCLMNSA-N 1 2 370.497 2.711 20 30 FFEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3F)c2C1 ZINC001069876664 1019648494 /nfs/dbraw/zinc/64/84/94/1019648494.db2.gz IGOBQRLIORBAOY-ZWKOTPCHSA-N 1 2 368.456 2.834 20 30 FFEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3F)c2C1 ZINC001069876664 1019648502 /nfs/dbraw/zinc/64/85/02/1019648502.db2.gz IGOBQRLIORBAOY-ZWKOTPCHSA-N 1 2 368.456 2.834 20 30 FFEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2sccc2C(F)F)[C@@H](n2ccnn2)C1 ZINC001070085922 1019791456 /nfs/dbraw/zinc/79/14/56/1019791456.db2.gz YVJHNWRXQJFVSE-OLZOCXBDSA-N 1 2 367.425 2.509 20 30 FFEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2sccc2C(F)F)[C@@H](n2ccnn2)C1 ZINC001070085922 1019791470 /nfs/dbraw/zinc/79/14/70/1019791470.db2.gz YVJHNWRXQJFVSE-OLZOCXBDSA-N 1 2 367.425 2.509 20 30 FFEDLO C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)CCCOC1 ZINC001098116854 1019882523 /nfs/dbraw/zinc/88/25/23/1019882523.db2.gz WNXOXUJEFCVJNC-RBAQFSTRSA-N 1 2 371.456 2.736 20 30 FFEDLO C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)CCCOC1 ZINC001098116854 1019882539 /nfs/dbraw/zinc/88/25/39/1019882539.db2.gz WNXOXUJEFCVJNC-RBAQFSTRSA-N 1 2 371.456 2.736 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)CCC)CCC1 ZINC001110986977 1019997194 /nfs/dbraw/zinc/99/71/94/1019997194.db2.gz DOAUYFVBUHYTHR-MLHJIOFPSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)CCC)CCC1 ZINC001110986977 1019997208 /nfs/dbraw/zinc/99/72/08/1019997208.db2.gz DOAUYFVBUHYTHR-MLHJIOFPSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1 ZINC001110989841 1020006655 /nfs/dbraw/zinc/00/66/55/1020006655.db2.gz XZTQRMUUGABKJT-DCXXXQMHSA-N 1 2 355.482 2.949 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1 ZINC001110989841 1020006669 /nfs/dbraw/zinc/00/66/69/1020006669.db2.gz XZTQRMUUGABKJT-DCXXXQMHSA-N 1 2 355.482 2.949 20 30 FFEDLO Cc1cnoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001098140260 1020285300 /nfs/dbraw/zinc/28/53/00/1020285300.db2.gz BUMQLTOXXKUXRW-OIISXLGYSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1cnoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001098140260 1020285308 /nfs/dbraw/zinc/28/53/08/1020285308.db2.gz BUMQLTOXXKUXRW-OIISXLGYSA-N 1 2 354.385 2.529 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc3ccccc3o2)cn1 ZINC001096382875 1020305603 /nfs/dbraw/zinc/30/56/03/1020305603.db2.gz RNSXUGNFZROTTM-NEWSRXKRSA-N 1 2 372.428 2.739 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc3ccccc3o2)cn1 ZINC001096382875 1020305610 /nfs/dbraw/zinc/30/56/10/1020305610.db2.gz RNSXUGNFZROTTM-NEWSRXKRSA-N 1 2 372.428 2.739 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)cn1 ZINC001096382865 1020305851 /nfs/dbraw/zinc/30/58/51/1020305851.db2.gz RLLVPWZHBJRTPH-GIVPXCGWSA-N 1 2 374.419 2.609 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)cn1 ZINC001096382865 1020305856 /nfs/dbraw/zinc/30/58/56/1020305856.db2.gz RLLVPWZHBJRTPH-GIVPXCGWSA-N 1 2 374.419 2.609 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccc(NC(C)=O)c1)C2 ZINC001096389529 1020351680 /nfs/dbraw/zinc/35/16/80/1020351680.db2.gz QAQDSXJBDWZVRM-SQNIBIBYSA-N 1 2 361.873 2.662 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccc(NC(C)=O)c1)C2 ZINC001096389529 1020351691 /nfs/dbraw/zinc/35/16/91/1020351691.db2.gz QAQDSXJBDWZVRM-SQNIBIBYSA-N 1 2 361.873 2.662 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC3CC3)C[C@@H]21 ZINC001222329498 1032895940 /nfs/dbraw/zinc/89/59/40/1032895940.db2.gz BTGJVVGHJUFYAS-UZLBHIALSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)COCC3CC3)C[C@@H]21 ZINC001222329498 1032895959 /nfs/dbraw/zinc/89/59/59/1032895959.db2.gz BTGJVVGHJUFYAS-UZLBHIALSA-N 1 2 371.456 2.547 20 30 FFEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(C#N)nc2)c[nH+]1 ZINC001046157290 1020508104 /nfs/dbraw/zinc/50/81/04/1020508104.db2.gz OTULYAKDKRQHFE-QZTJIDSGSA-N 1 2 366.469 2.733 20 30 FFEDLO CCc1oncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096091819 1020601164 /nfs/dbraw/zinc/60/11/64/1020601164.db2.gz WITCVQDNJSVFCY-JLSDUUJJSA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1oncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096091819 1020601170 /nfs/dbraw/zinc/60/11/70/1020601170.db2.gz WITCVQDNJSVFCY-JLSDUUJJSA-N 1 2 368.412 2.783 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC(C)C)c1C)C2 ZINC001096447207 1020617720 /nfs/dbraw/zinc/61/77/20/1020617720.db2.gz APDCPJZLRGDRPU-PVAVHDDUSA-N 1 2 350.894 2.935 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC(C)C)c1C)C2 ZINC001096447207 1020617728 /nfs/dbraw/zinc/61/77/28/1020617728.db2.gz APDCPJZLRGDRPU-PVAVHDDUSA-N 1 2 350.894 2.935 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3nc[nH]n3)cc1)C2 ZINC001098150749 1020695506 /nfs/dbraw/zinc/69/55/06/1020695506.db2.gz NZEVDPNNTRTUPN-OAGGEKHMSA-N 1 2 357.845 2.559 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3nc[nH]n3)cc1)C2 ZINC001098150749 1020695511 /nfs/dbraw/zinc/69/55/11/1020695511.db2.gz NZEVDPNNTRTUPN-OAGGEKHMSA-N 1 2 357.845 2.559 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ncoc1C1CC1 ZINC001098160624 1020699527 /nfs/dbraw/zinc/69/95/27/1020699527.db2.gz POUKSUUYYUPDHD-QRVBRYPASA-N 1 2 361.445 2.939 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ncoc1C1CC1 ZINC001098160624 1020699530 /nfs/dbraw/zinc/69/95/30/1020699530.db2.gz POUKSUUYYUPDHD-QRVBRYPASA-N 1 2 361.445 2.939 20 30 FFEDLO N#CC[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C(F)(F)F ZINC000932903461 1020921274 /nfs/dbraw/zinc/92/12/74/1020921274.db2.gz KTODDARQABHBTR-CQSZACIVSA-N 1 2 369.391 2.953 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)[nH]c3c1CCCC3)C2 ZINC001098519476 1020981684 /nfs/dbraw/zinc/98/16/84/1020981684.db2.gz ITKZZDAYKUAPGY-JLZZUVOBSA-N 1 2 361.873 2.754 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)[nH]c3c1CCCC3)C2 ZINC001098519476 1020981692 /nfs/dbraw/zinc/98/16/92/1020981692.db2.gz ITKZZDAYKUAPGY-JLZZUVOBSA-N 1 2 361.873 2.754 20 30 FFEDLO C[C@@H]1CCc2ccccc2N1C(=O)C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933655573 1021060935 /nfs/dbraw/zinc/06/09/35/1021060935.db2.gz DLNMEVYBDPZBEV-MRXNPFEDSA-N 1 2 354.450 2.692 20 30 FFEDLO COc1cc(O[C@H]2CC[NH2+]CC2(F)F)c2c(c1)C(=O)C=C(Cl)C2=O ZINC001218012297 1032952440 /nfs/dbraw/zinc/95/24/40/1032952440.db2.gz OATINWAMSSLKCI-ZDUSSCGKSA-N 1 2 357.740 2.573 20 30 FFEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(C#N)cc1C1CC1 ZINC000933853196 1021102182 /nfs/dbraw/zinc/10/21/82/1021102182.db2.gz JSVBYSMGSASNBP-YOEHRIQHSA-N 1 2 354.454 2.763 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccncc2F)C1 ZINC001098769557 1021127274 /nfs/dbraw/zinc/12/72/74/1021127274.db2.gz NZIULHWYDBRLJG-LRDDRELGSA-N 1 2 368.250 2.714 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccncc2F)C1 ZINC001098769557 1021127277 /nfs/dbraw/zinc/12/72/77/1021127277.db2.gz NZIULHWYDBRLJG-LRDDRELGSA-N 1 2 368.250 2.714 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccncc2C)C1 ZINC001098825266 1021193104 /nfs/dbraw/zinc/19/31/04/1021193104.db2.gz NOIXCWJSGRQRHS-YOEHRIQHSA-N 1 2 364.287 2.883 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccncc2C)C1 ZINC001098825266 1021193108 /nfs/dbraw/zinc/19/31/08/1021193108.db2.gz NOIXCWJSGRQRHS-YOEHRIQHSA-N 1 2 364.287 2.883 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc([C@H](C)OCC)no3)[C@H]2C1 ZINC001222432199 1032968276 /nfs/dbraw/zinc/96/82/76/1032968276.db2.gz HYABAMPAWNBJRC-XHSDSOJGSA-N 1 2 362.474 2.556 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc([C@H](C)OCC)no3)[C@H]2C1 ZINC001222432199 1032968293 /nfs/dbraw/zinc/96/82/93/1032968293.db2.gz HYABAMPAWNBJRC-XHSDSOJGSA-N 1 2 362.474 2.556 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cscn1)C2 ZINC001098876561 1021292553 /nfs/dbraw/zinc/29/25/53/1021292553.db2.gz NDLMAWRDNOOHFP-KXBFYZLASA-N 1 2 356.495 2.915 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cscn1)C2 ZINC001098876561 1021292565 /nfs/dbraw/zinc/29/25/65/1021292565.db2.gz NDLMAWRDNOOHFP-KXBFYZLASA-N 1 2 356.495 2.915 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCOC[C@H]1CC1CCOCC1)c1ccccc1 ZINC000934632062 1021308162 /nfs/dbraw/zinc/30/81/62/1021308162.db2.gz BQIDCHGPPLVACU-YADHBBJMSA-N 1 2 370.493 2.945 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCOC[C@H]1CC1CCOCC1)c1ccccc1 ZINC000934632062 1021308180 /nfs/dbraw/zinc/30/81/80/1021308180.db2.gz BQIDCHGPPLVACU-YADHBBJMSA-N 1 2 370.493 2.945 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCOC[C@@H]1CC1CCOCC1)c1ccccc1 ZINC000934632060 1021309030 /nfs/dbraw/zinc/30/90/30/1021309030.db2.gz BQIDCHGPPLVACU-VXKWHMMOSA-N 1 2 370.493 2.945 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCOC[C@@H]1CC1CCOCC1)c1ccccc1 ZINC000934632060 1021309046 /nfs/dbraw/zinc/30/90/46/1021309046.db2.gz BQIDCHGPPLVACU-VXKWHMMOSA-N 1 2 370.493 2.945 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)c(F)c1 ZINC001014503003 1021878619 /nfs/dbraw/zinc/87/86/19/1021878619.db2.gz OILXBZWFGXOHFM-GBESFXJTSA-N 1 2 364.424 2.587 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)c(F)c1 ZINC001014503003 1021878627 /nfs/dbraw/zinc/87/86/27/1021878627.db2.gz OILXBZWFGXOHFM-GBESFXJTSA-N 1 2 364.424 2.587 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cscn1)C2 ZINC001099139165 1021918141 /nfs/dbraw/zinc/91/81/41/1021918141.db2.gz XJRRNLYUOKIKPY-RXVVDRJESA-N 1 2 365.502 2.838 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cscn1)C2 ZINC001099139165 1021918148 /nfs/dbraw/zinc/91/81/48/1021918148.db2.gz XJRRNLYUOKIKPY-RXVVDRJESA-N 1 2 365.502 2.838 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cnns2)C1 ZINC001099288978 1022229220 /nfs/dbraw/zinc/22/92/20/1022229220.db2.gz ZELJQWBFKBOLMP-VXGBXAGGSA-N 1 2 362.421 2.619 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3CCC)[C@H]2C1 ZINC001222547823 1033045381 /nfs/dbraw/zinc/04/53/81/1033045381.db2.gz XWZZYQQLWMPPPR-MOPGFXCFSA-N 1 2 371.529 2.613 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3CCC)[C@H]2C1 ZINC001222547823 1033045387 /nfs/dbraw/zinc/04/53/87/1033045387.db2.gz XWZZYQQLWMPPPR-MOPGFXCFSA-N 1 2 371.529 2.613 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)cc1C#N ZINC001038502372 1022658806 /nfs/dbraw/zinc/65/88/06/1022658806.db2.gz JILSZKDDLFGUEQ-RCCFBDPRSA-N 1 2 355.482 2.940 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)cc1C#N ZINC001038502372 1022658820 /nfs/dbraw/zinc/65/88/20/1022658820.db2.gz JILSZKDDLFGUEQ-RCCFBDPRSA-N 1 2 355.482 2.940 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1F ZINC001038726687 1022693923 /nfs/dbraw/zinc/69/39/23/1022693923.db2.gz WSXGGWCPCXITEU-CEXWTWQISA-N 1 2 364.424 2.587 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1F ZINC001038726687 1022693932 /nfs/dbraw/zinc/69/39/32/1022693932.db2.gz WSXGGWCPCXITEU-CEXWTWQISA-N 1 2 364.424 2.587 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCc1c(F)cccc1F ZINC001038798450 1022712951 /nfs/dbraw/zinc/71/29/51/1022712951.db2.gz OTYXWAVSBQMNBO-QOKNQOGYSA-N 1 2 364.436 2.679 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCc1c(F)cccc1F ZINC001038798450 1022712965 /nfs/dbraw/zinc/71/29/65/1022712965.db2.gz OTYXWAVSBQMNBO-QOKNQOGYSA-N 1 2 364.436 2.679 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cn2c(cccc2Cl)n1 ZINC001276778920 1033074466 /nfs/dbraw/zinc/07/44/66/1033074466.db2.gz NMZFNYJXBHWRRX-HZPDHXFCSA-N 1 2 371.872 2.857 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cn2c(cccc2Cl)n1 ZINC001276778920 1033074471 /nfs/dbraw/zinc/07/44/71/1033074471.db2.gz NMZFNYJXBHWRRX-HZPDHXFCSA-N 1 2 371.872 2.857 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)CCc1ccc(N)[nH+]c1 ZINC000751456907 1022835774 /nfs/dbraw/zinc/83/57/74/1022835774.db2.gz CZMYPVFGVXKUBX-AWEZNQCLSA-N 1 2 373.478 2.804 20 30 FFEDLO CC[C@@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CCOC)C1 ZINC001122345961 1023206652 /nfs/dbraw/zinc/20/66/52/1023206652.db2.gz ZQOHSDFATGIJIY-QGZVFWFLSA-N 1 2 374.533 2.644 20 30 FFEDLO CC[C@@H]1CCCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CCOC ZINC001122433587 1023264699 /nfs/dbraw/zinc/26/46/99/1023264699.db2.gz QWVHWKTXRUMODG-GOSISDBHSA-N 1 2 374.533 2.786 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@@H]1CCSC1 ZINC001122442155 1023272169 /nfs/dbraw/zinc/27/21/69/1023272169.db2.gz YFPFLEQHHPWMTF-QGZVFWFLSA-N 1 2 374.558 2.889 20 30 FFEDLO C=C(C)Cn1c([C@H](OC)C2CC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001122475370 1023292359 /nfs/dbraw/zinc/29/23/59/1023292359.db2.gz BFRBSVANZILFMV-GOSISDBHSA-N 1 2 368.485 2.673 20 30 FFEDLO C=C(C)Cn1c(N2CCCC3(CCCC3)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001122482937 1023296501 /nfs/dbraw/zinc/29/65/01/1023296501.db2.gz PRTXWPLMWVFSES-PXNSSMCTSA-N 1 2 373.545 2.926 20 30 FFEDLO C=C(C)Cn1c(N2CCCC3(CCCC3)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001122482937 1023296511 /nfs/dbraw/zinc/29/65/11/1023296511.db2.gz PRTXWPLMWVFSES-PXNSSMCTSA-N 1 2 373.545 2.926 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001122566644 1023342539 /nfs/dbraw/zinc/34/25/39/1023342539.db2.gz HRQPLNLFBGBSQL-MOPGFXCFSA-N 1 2 373.545 2.827 20 30 FFEDLO C#CC1CCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2CCCOCC)CC1 ZINC001122574900 1023347143 /nfs/dbraw/zinc/34/71/43/1023347143.db2.gz GLSINKXIGUHKFR-SFHVURJKSA-N 1 2 359.518 2.711 20 30 FFEDLO C#CC1CCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2CCCOCC)CC1 ZINC001122574900 1023347149 /nfs/dbraw/zinc/34/71/49/1023347149.db2.gz GLSINKXIGUHKFR-SFHVURJKSA-N 1 2 359.518 2.711 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001120680564 1023420725 /nfs/dbraw/zinc/42/07/25/1023420725.db2.gz TVDUURSQXMFXSJ-XCRHUMRWSA-N 1 2 358.486 2.514 20 30 FFEDLO COC[C@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccco1 ZINC000754338244 1023457062 /nfs/dbraw/zinc/45/70/62/1023457062.db2.gz ARKVJIOWGBSGHI-ZBFHGGJFSA-N 1 2 362.389 2.794 20 30 FFEDLO CC(C)c1[nH+]c(C=NN=C2NS(=O)(=O)c3ccccc32)c2ccccn21 ZINC000755641368 1023618111 /nfs/dbraw/zinc/61/81/11/1023618111.db2.gz XDABXUPQKVJRGN-UHFFFAOYSA-N 1 2 367.434 2.530 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1C[C@H]1CCOC1 ZINC001123103212 1023635943 /nfs/dbraw/zinc/63/59/43/1023635943.db2.gz WQLZVTKWTZPGBV-RCCFBDPRSA-N 1 2 370.501 2.605 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc([C@@H]3CCC[N@H+]3C)n2C[C@H]2CCOC2)C1 ZINC001123113987 1023641449 /nfs/dbraw/zinc/64/14/49/1023641449.db2.gz RCBBSTBIMPBEGV-KURKYZTESA-N 1 2 359.518 2.874 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2C[C@H]2CCOC2)C1 ZINC001123113987 1023641451 /nfs/dbraw/zinc/64/14/51/1023641451.db2.gz RCBBSTBIMPBEGV-KURKYZTESA-N 1 2 359.518 2.874 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(C(C)C)nn3)[C@H]2C1 ZINC001222767887 1033152140 /nfs/dbraw/zinc/15/21/40/1033152140.db2.gz QDICOMHLHUHHKS-AEFFLSMTSA-N 1 2 359.518 2.884 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@H+](Cc3cn(C(C)C)nn3)[C@H]2C1 ZINC001222767887 1033152142 /nfs/dbraw/zinc/15/21/42/1033152142.db2.gz QDICOMHLHUHHKS-AEFFLSMTSA-N 1 2 359.518 2.884 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](Cc2ccccc2N(C)C)C1 ZINC000950342738 1023797662 /nfs/dbraw/zinc/79/76/62/1023797662.db2.gz BBXAQTNZLVUMSE-CTNGQTDRSA-N 1 2 371.525 2.767 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001121590007 1023867961 /nfs/dbraw/zinc/86/79/61/1023867961.db2.gz LAQBLXZEAMJLQP-IXDOHACOSA-N 1 2 358.490 2.910 20 30 FFEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000950594155 1023872023 /nfs/dbraw/zinc/87/20/23/1023872023.db2.gz ZSWMKBFCQCREHE-UYAOXDASSA-N 1 2 355.482 2.915 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@](OC)(C(F)(F)F)C1 ZINC001121613379 1023881118 /nfs/dbraw/zinc/88/11/18/1023881118.db2.gz XPBBPEAOXFBEFM-CJNGLKHVSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@](OC)(C(F)(F)F)C1 ZINC001121613379 1023881123 /nfs/dbraw/zinc/88/11/23/1023881123.db2.gz XPBBPEAOXFBEFM-CJNGLKHVSA-N 1 2 373.423 2.779 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)C)o3)C[C@@]2(C)C1 ZINC001101203278 1024085572 /nfs/dbraw/zinc/08/55/72/1024085572.db2.gz OXIFHFPOGRGBGB-UZLBHIALSA-N 1 2 358.486 2.667 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)C)o3)C[C@@]2(C)C1 ZINC001101203278 1024085587 /nfs/dbraw/zinc/08/55/87/1024085587.db2.gz OXIFHFPOGRGBGB-UZLBHIALSA-N 1 2 358.486 2.667 20 30 FFEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1scc(C(C)(C)C)c1C#N ZINC001218507756 1033190794 /nfs/dbraw/zinc/19/07/94/1033190794.db2.gz LSLRXIPRTUHODW-LBPRGKRZSA-N 1 2 350.488 2.759 20 30 FFEDLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1scc(C(C)(C)C)c1C#N ZINC001218507756 1033190798 /nfs/dbraw/zinc/19/07/98/1033190798.db2.gz LSLRXIPRTUHODW-LBPRGKRZSA-N 1 2 350.488 2.759 20 30 FFEDLO C#CCN(CC)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1Cc1ccccc1 ZINC001122073289 1024317198 /nfs/dbraw/zinc/31/71/98/1024317198.db2.gz GEWAHGORNIOHPU-LJQANCHMSA-N 1 2 367.497 2.568 20 30 FFEDLO C#CCN(CC)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1Cc1ccccc1 ZINC001122073289 1024317214 /nfs/dbraw/zinc/31/72/14/1024317214.db2.gz GEWAHGORNIOHPU-LJQANCHMSA-N 1 2 367.497 2.568 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101336769 1024483928 /nfs/dbraw/zinc/48/39/28/1024483928.db2.gz PDBPFNYNCRIPRT-YRNRMSPPSA-N 1 2 359.518 2.811 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101336769 1024483934 /nfs/dbraw/zinc/48/39/34/1024483934.db2.gz PDBPFNYNCRIPRT-YRNRMSPPSA-N 1 2 359.518 2.811 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(OC)c(Cl)c2OC)C1=O ZINC001276859287 1033262716 /nfs/dbraw/zinc/26/27/16/1033262716.db2.gz ILLKLRREAPYMQD-IBGZPJMESA-N 1 2 362.857 2.557 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(OC)c(Cl)c2OC)C1=O ZINC001276859287 1033262728 /nfs/dbraw/zinc/26/27/28/1033262728.db2.gz ILLKLRREAPYMQD-IBGZPJMESA-N 1 2 362.857 2.557 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2nn(C)cc2Cl)C[C@H]1C ZINC001102261404 1025658111 /nfs/dbraw/zinc/65/81/11/1025658111.db2.gz YIILBWROQAVIBR-RRFJBIMHSA-N 1 2 352.910 2.860 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2nn(C)cc2Cl)C[C@H]1C ZINC001102261404 1025658117 /nfs/dbraw/zinc/65/81/17/1025658117.db2.gz YIILBWROQAVIBR-RRFJBIMHSA-N 1 2 352.910 2.860 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H]2C[N@@H+](Cc3nc(C4CC4)nn3C)C[C@H]2C)CCC1 ZINC001102331697 1025759761 /nfs/dbraw/zinc/75/97/61/1025759761.db2.gz OKWOOINFEVRJPS-NVXWUHKLSA-N 1 2 371.529 2.623 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H]2C[N@H+](Cc3nc(C4CC4)nn3C)C[C@H]2C)CCC1 ZINC001102331697 1025759772 /nfs/dbraw/zinc/75/97/72/1025759772.db2.gz OKWOOINFEVRJPS-NVXWUHKLSA-N 1 2 371.529 2.623 20 30 FFEDLO CCCN1C(=O)CC[C@@H](C(=O)O[C@@H]2CCC[C@@H](C#N)C2)[C@@H]1c1c[nH+]cn1C ZINC000839058261 1026573965 /nfs/dbraw/zinc/57/39/65/1026573965.db2.gz JQHBHDXHNHQNAT-YKTARERQSA-N 1 2 372.469 2.735 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000839135185 1026599379 /nfs/dbraw/zinc/59/93/79/1026599379.db2.gz FSDCTMAUNQOULB-MRXNPFEDSA-N 1 2 374.485 2.778 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000839135185 1026599383 /nfs/dbraw/zinc/59/93/83/1026599383.db2.gz FSDCTMAUNQOULB-MRXNPFEDSA-N 1 2 374.485 2.778 20 30 FFEDLO C[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1CCNC(=O)C(F)C(F)(F)F ZINC001103011458 1026874959 /nfs/dbraw/zinc/87/49/59/1026874959.db2.gz DXAJIYYXZPBCSA-OPRDCNLKSA-N 1 2 352.294 2.913 20 30 FFEDLO C[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1CCNC(=O)C(F)C(F)(F)F ZINC001103011458 1026874969 /nfs/dbraw/zinc/87/49/69/1026874969.db2.gz DXAJIYYXZPBCSA-OPRDCNLKSA-N 1 2 352.294 2.913 20 30 FFEDLO C[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1CCNC(=O)[C@@H](F)C(F)(F)F ZINC001103011458 1026874974 /nfs/dbraw/zinc/87/49/74/1026874974.db2.gz DXAJIYYXZPBCSA-OPRDCNLKSA-N 1 2 352.294 2.913 20 30 FFEDLO C[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1CCNC(=O)[C@@H](F)C(F)(F)F ZINC001103011458 1026874983 /nfs/dbraw/zinc/87/49/83/1026874983.db2.gz DXAJIYYXZPBCSA-OPRDCNLKSA-N 1 2 352.294 2.913 20 30 FFEDLO C[C@H]1C[NH+](C2CN(Cc3ccc(Br)cc3C#N)C2)C[C@H](C)O1 ZINC001141818503 1027010043 /nfs/dbraw/zinc/01/00/43/1027010043.db2.gz GNJMJECUSXIEOG-STQMWFEESA-N 1 2 364.287 2.614 20 30 FFEDLO CC[C@H](C#N)Oc1cc(CNc2cc(NC[C@H](C)O)[nH+]cn2)ccc1OC ZINC000840262083 1027023583 /nfs/dbraw/zinc/02/35/83/1027023583.db2.gz CJMUEEATZZZEOS-DZGCQCFKSA-N 1 2 371.441 2.571 20 30 FFEDLO CC[C@H](C#N)Oc1cc(CNc2cc(NC[C@H](C)O)nc[nH+]2)ccc1OC ZINC000840262083 1027023590 /nfs/dbraw/zinc/02/35/90/1027023590.db2.gz CJMUEEATZZZEOS-DZGCQCFKSA-N 1 2 371.441 2.571 20 30 FFEDLO COC1CCC(N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CC1 ZINC000840702491 1027218894 /nfs/dbraw/zinc/21/88/94/1027218894.db2.gz AGSUJHIIFJUMLR-UHFFFAOYSA-N 1 2 354.454 2.604 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1cc(Cl)ncc1C#N)C[NH2+]C2(C)C ZINC001159655001 1027457638 /nfs/dbraw/zinc/45/76/38/1027457638.db2.gz OSSSODMXASOJCR-UHFFFAOYSA-N 1 2 360.805 2.890 20 30 FFEDLO C#CCCOc1ccc(C[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)cc1 ZINC000092937727 1027518667 /nfs/dbraw/zinc/51/86/67/1027518667.db2.gz OBNGTRIXWYCBHU-UHFFFAOYSA-N 1 2 364.445 2.752 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCC1=CC[N@H+](Cc2cscn2)CC1 ZINC001160155505 1027613201 /nfs/dbraw/zinc/61/32/01/1027613201.db2.gz IYTORTOJHCCUDI-MSOLQXFVSA-N 1 2 361.511 2.763 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCC1=CC[N@@H+](Cc2cscn2)CC1 ZINC001160155505 1027613212 /nfs/dbraw/zinc/61/32/12/1027613212.db2.gz IYTORTOJHCCUDI-MSOLQXFVSA-N 1 2 361.511 2.763 20 30 FFEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1nc2ccccc2c(Cl)c1C#N ZINC001160697589 1027811980 /nfs/dbraw/zinc/81/19/80/1027811980.db2.gz XITQCPYFKBVMIJ-HNNXBMFYSA-N 1 2 369.812 2.690 20 30 FFEDLO CSc1nc(NC[C@@H]2C[N@H+](C)CCO2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC001162680112 1028618793 /nfs/dbraw/zinc/61/87/93/1028618793.db2.gz FVRJTKYTSOEXDY-OAHLLOKOSA-N 1 2 369.494 2.788 20 30 FFEDLO CSc1nc(NC[C@@H]2C[N@@H+](C)CCO2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC001162680112 1028618796 /nfs/dbraw/zinc/61/87/96/1028618796.db2.gz FVRJTKYTSOEXDY-OAHLLOKOSA-N 1 2 369.494 2.788 20 30 FFEDLO C=CCOC(=O)N1CCC2(CN(c3nc(NC(C)C)c(C)c[nH+]3)C2)CC1 ZINC001163861739 1029094217 /nfs/dbraw/zinc/09/42/17/1029094217.db2.gz MCNITEKRQYKGSC-UHFFFAOYSA-N 1 2 359.474 2.830 20 30 FFEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)nc1 ZINC000782029351 1029532452 /nfs/dbraw/zinc/53/24/52/1029532452.db2.gz VEHGRJIIHRKUNL-IBGZPJMESA-N 1 2 352.413 2.763 20 30 FFEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)nc1 ZINC000782029351 1029532460 /nfs/dbraw/zinc/53/24/60/1029532460.db2.gz VEHGRJIIHRKUNL-IBGZPJMESA-N 1 2 352.413 2.763 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnon1)C2)c1ccccc1 ZINC001111999401 1029849501 /nfs/dbraw/zinc/84/95/01/1029849501.db2.gz HEEIMMMUDZBFKL-MDKPJZGXSA-N 1 2 366.465 2.900 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnon1)C2)c1ccccc1 ZINC001111999401 1029849504 /nfs/dbraw/zinc/84/95/04/1029849504.db2.gz HEEIMMMUDZBFKL-MDKPJZGXSA-N 1 2 366.465 2.900 20 30 FFEDLO C=C[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncccn1)C2)c1ccccc1 ZINC001112001104 1029850185 /nfs/dbraw/zinc/85/01/85/1029850185.db2.gz HXHNLCUJODPVMR-IPJJNNNSSA-N 1 2 362.477 2.917 20 30 FFEDLO C=C[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncccn1)C2)c1ccccc1 ZINC001112001104 1029850192 /nfs/dbraw/zinc/85/01/92/1029850192.db2.gz HXHNLCUJODPVMR-IPJJNNNSSA-N 1 2 362.477 2.917 20 30 FFEDLO CC(C)CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001112105959 1030017819 /nfs/dbraw/zinc/01/78/19/1030017819.db2.gz NFEYPJZGLMNSPF-OPRDCNLKSA-N 1 2 352.294 2.912 20 30 FFEDLO CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001112105959 1030017836 /nfs/dbraw/zinc/01/78/36/1030017836.db2.gz NFEYPJZGLMNSPF-OPRDCNLKSA-N 1 2 352.294 2.912 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12CN(c1[nH+]ccc(C)c1NC(C)=O)CCO2 ZINC001166368329 1030388068 /nfs/dbraw/zinc/38/80/68/1030388068.db2.gz ROYGQANIFAQPNA-YLJYHZDGSA-N 1 2 359.470 2.927 20 30 FFEDLO N#Cc1ccc2cc[nH+]c(N3C[C@@H]4C(=O)N(c5cccnc5)C[C@@H]4C3)c2c1 ZINC001166517856 1030431371 /nfs/dbraw/zinc/43/13/71/1030431371.db2.gz GREWFSXCEVCSSY-LPHOPBHVSA-N 1 2 355.401 2.601 20 30 FFEDLO Cc1c[nH+]c(N2CCCN(c3ccc(C#N)cn3)CC2)nc1NC(C)C ZINC001166840897 1030544862 /nfs/dbraw/zinc/54/48/62/1030544862.db2.gz UKNQVIXYFMMOFZ-UHFFFAOYSA-N 1 2 351.458 2.589 20 30 FFEDLO C#C[C@@H]1CCCN(c2[nH+]cnc3c2ccn3S(=O)(=O)c2ccccc2)C1 ZINC001167006380 1030606346 /nfs/dbraw/zinc/60/63/46/1030606346.db2.gz LPDWVEDHMHDKCA-OAHLLOKOSA-N 1 2 366.446 2.518 20 30 FFEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001142592289 1030635908 /nfs/dbraw/zinc/63/59/08/1030635908.db2.gz ILOZXFLOEKHVAQ-UHFFFAOYSA-N 1 2 365.437 2.796 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cc(F)c(Br)cc2F)CC1 ZINC001142803542 1030902321 /nfs/dbraw/zinc/90/23/21/1030902321.db2.gz LJQANIWORDSFBP-UHFFFAOYSA-N 1 2 357.198 2.508 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cnc3ccc(Cl)nn13)CCC2 ZINC001142987630 1031125291 /nfs/dbraw/zinc/12/52/91/1031125291.db2.gz GVNIFXGLHFMHDF-UHFFFAOYSA-N 1 2 372.860 2.688 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cnc3ccc(Cl)nn13)CCC2 ZINC001142987630 1031125304 /nfs/dbraw/zinc/12/53/04/1031125304.db2.gz GVNIFXGLHFMHDF-UHFFFAOYSA-N 1 2 372.860 2.688 20 30 FFEDLO COCCOc1cccc(N2CC[NH+](Cc3ccccc3C#N)CC2)c1 ZINC001204373922 1031260537 /nfs/dbraw/zinc/26/05/37/1031260537.db2.gz YGXSZKJGQVADJF-UHFFFAOYSA-N 1 2 351.450 2.906 20 30 FFEDLO CN(C)C(=O)N1CCCC12CC[NH+](Cc1c(F)ccc(C#N)c1F)CC2 ZINC001143169595 1031279488 /nfs/dbraw/zinc/27/94/88/1031279488.db2.gz LILLMXPNUOESGA-UHFFFAOYSA-N 1 2 362.424 2.948 20 30 FFEDLO CCC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001205053681 1031496699 /nfs/dbraw/zinc/49/66/99/1031496699.db2.gz RADLTLQXYCYLIY-NHCUHLMSSA-N 1 2 363.461 2.542 20 30 FFEDLO CCC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001205053681 1031496710 /nfs/dbraw/zinc/49/67/10/1031496710.db2.gz RADLTLQXYCYLIY-NHCUHLMSSA-N 1 2 363.461 2.542 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)NCCn2c[nH+]cc2-c2ccccc2)c1 ZINC001149856057 1031607336 /nfs/dbraw/zinc/60/73/36/1031607336.db2.gz HNLAWVWKZZULFM-UHFFFAOYSA-N 1 2 359.433 2.918 20 30 FFEDLO N#Cc1cc(C[N@@H+]2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)ccc1F ZINC001205467415 1031767393 /nfs/dbraw/zinc/76/73/93/1031767393.db2.gz QBONFYPRCITZMS-FXAWDEMLSA-N 1 2 355.413 2.623 20 30 FFEDLO N#Cc1cc(C[N@H+]2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)ccc1F ZINC001205467415 1031767397 /nfs/dbraw/zinc/76/73/97/1031767397.db2.gz QBONFYPRCITZMS-FXAWDEMLSA-N 1 2 355.413 2.623 20 30 FFEDLO N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3-n3cc[nH+]c3)CC2=O)cc1 ZINC001115913268 1032010795 /nfs/dbraw/zinc/01/07/95/1032010795.db2.gz HZKOGKGZOLYBCM-INIZCTEOSA-N 1 2 371.400 2.736 20 30 FFEDLO CC(C)C[C@H](C)C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218867134 1033387644 /nfs/dbraw/zinc/38/76/44/1033387644.db2.gz WCXRNFQZINNUEZ-SESVDKBCSA-N 1 2 354.494 2.632 20 30 FFEDLO CC(C)C[C@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218867134 1033387651 /nfs/dbraw/zinc/38/76/51/1033387651.db2.gz WCXRNFQZINNUEZ-SESVDKBCSA-N 1 2 354.494 2.632 20 30 FFEDLO CCCCCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3cnn(C)n3)[C@H]2C1 ZINC001223978183 1033667313 /nfs/dbraw/zinc/66/73/13/1033667313.db2.gz SGISIBDZUJSUMR-MJGOQNOKSA-N 1 2 361.534 2.989 20 30 FFEDLO CCCCCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cnn(C)n3)[C@H]2C1 ZINC001223978183 1033667323 /nfs/dbraw/zinc/66/73/23/1033667323.db2.gz SGISIBDZUJSUMR-MJGOQNOKSA-N 1 2 361.534 2.989 20 30 FFEDLO CCCCCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3C)[C@H]2C1 ZINC001223985284 1033672164 /nfs/dbraw/zinc/67/21/64/1033672164.db2.gz XNLQXJQVKHEYLL-MSOLQXFVSA-N 1 2 361.534 2.989 20 30 FFEDLO CCCCCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3C)[C@H]2C1 ZINC001223985284 1033672172 /nfs/dbraw/zinc/67/21/72/1033672172.db2.gz XNLQXJQVKHEYLL-MSOLQXFVSA-N 1 2 361.534 2.989 20 30 FFEDLO CC(C)(C)c1ccc(CN2C(=O)COCC23C[NH+](CCCC#N)C3)cc1 ZINC001276947947 1033723117 /nfs/dbraw/zinc/72/31/17/1033723117.db2.gz DJRYQNVHOMEESV-UHFFFAOYSA-N 1 2 355.482 2.701 20 30 FFEDLO N#CCC[NH+]1CCC2(C[C@@H]2C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC001276949059 1033730282 /nfs/dbraw/zinc/73/02/82/1033730282.db2.gz OJRKESFBGSEZPU-GOSISDBHSA-N 1 2 350.466 2.842 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)cc2F)C[C@@H]1O ZINC001219686692 1033749748 /nfs/dbraw/zinc/74/97/48/1033749748.db2.gz RTJAVZZAFPUVSZ-BKTGTZMESA-N 1 2 364.436 2.956 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)cc2F)C[C@@H]1O ZINC001219686692 1033749763 /nfs/dbraw/zinc/74/97/63/1033749763.db2.gz RTJAVZZAFPUVSZ-BKTGTZMESA-N 1 2 364.436 2.956 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC2CC2)CC1 ZINC000830743332 1033773893 /nfs/dbraw/zinc/77/38/93/1033773893.db2.gz BQWXQBAZXMFOFE-UHFFFAOYSA-N 1 2 374.492 2.602 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCc2cccc(Cl)c2Cl)C[C@@H]1O ZINC001220141218 1034001550 /nfs/dbraw/zinc/00/15/50/1034001550.db2.gz LFTYNUJOSHCYCP-CABCVRRESA-N 1 2 371.308 2.909 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCc2cccc(Cl)c2Cl)C[C@@H]1O ZINC001220141218 1034001564 /nfs/dbraw/zinc/00/15/64/1034001564.db2.gz LFTYNUJOSHCYCP-CABCVRRESA-N 1 2 371.308 2.909 20 30 FFEDLO CC(C)=C(C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220158233 1034009986 /nfs/dbraw/zinc/00/99/86/1034009986.db2.gz NNSVEYWTWSKTSK-MOPGFXCFSA-N 1 2 360.885 2.599 20 30 FFEDLO CC(C)=C(C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220158233 1034009992 /nfs/dbraw/zinc/00/99/92/1034009992.db2.gz NNSVEYWTWSKTSK-MOPGFXCFSA-N 1 2 360.885 2.599 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O)CC(C)(C)C ZINC001220416163 1034160046 /nfs/dbraw/zinc/16/00/46/1034160046.db2.gz LNKQZIKGFLIDSG-IPELMVKDSA-N 1 2 357.498 2.682 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O)CC(C)(C)C ZINC001220416163 1034160052 /nfs/dbraw/zinc/16/00/52/1034160052.db2.gz LNKQZIKGFLIDSG-IPELMVKDSA-N 1 2 357.498 2.682 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1O ZINC001220437000 1034177430 /nfs/dbraw/zinc/17/74/30/1034177430.db2.gz PTDKIFVFAOTRSV-MOPGFXCFSA-N 1 2 369.465 2.605 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1O ZINC001220437000 1034177438 /nfs/dbraw/zinc/17/74/38/1034177438.db2.gz PTDKIFVFAOTRSV-MOPGFXCFSA-N 1 2 369.465 2.605 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(F)(F)C(F)F ZINC001225246558 1034178436 /nfs/dbraw/zinc/17/84/36/1034178436.db2.gz CRKIVYJWBLCFFQ-JHJVBQTASA-N 1 2 354.388 2.885 20 30 FFEDLO CCC(CC)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001220618617 1034293732 /nfs/dbraw/zinc/29/37/32/1034293732.db2.gz ZSIBYZBLFNXJFZ-MSOLQXFVSA-N 1 2 361.461 2.575 20 30 FFEDLO CCC(CC)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001220618617 1034293738 /nfs/dbraw/zinc/29/37/38/1034293738.db2.gz ZSIBYZBLFNXJFZ-MSOLQXFVSA-N 1 2 361.461 2.575 20 30 FFEDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Cc2noc(C)c2C#N)CC1 ZINC000831874391 1034371918 /nfs/dbraw/zinc/37/19/18/1034371918.db2.gz WVZMAXBKOGTVNN-IBGZPJMESA-N 1 2 370.428 2.832 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2Cc3nccn3C[C@@H](COCC3CC3)C2)cc1 ZINC001138558359 1034410237 /nfs/dbraw/zinc/41/02/37/1034410237.db2.gz RXNANCQERORCLQ-FQEVSTJZSA-N 1 2 365.477 2.954 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2Cc3nccn3C[C@@H](COCC3CC3)C2)cc1 ZINC001138558359 1034410243 /nfs/dbraw/zinc/41/02/43/1034410243.db2.gz RXNANCQERORCLQ-FQEVSTJZSA-N 1 2 365.477 2.954 20 30 FFEDLO CC(=O)[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Cl)c(C#N)c1)CC2 ZINC001277083280 1034450430 /nfs/dbraw/zinc/45/04/30/1034450430.db2.gz DJFIQTFEZYJPRD-GUYCJALGSA-N 1 2 373.884 2.907 20 30 FFEDLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 ZINC001221289644 1034651362 /nfs/dbraw/zinc/65/13/62/1034651362.db2.gz WJFHCBVTRHLLKU-IIAWOOMASA-N 1 2 370.478 2.678 20 30 FFEDLO C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 ZINC001221289644 1034651367 /nfs/dbraw/zinc/65/13/67/1034651367.db2.gz WJFHCBVTRHLLKU-IIAWOOMASA-N 1 2 370.478 2.678 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccnc(Cl)c3)C[C@H]21 ZINC001221422097 1034737261 /nfs/dbraw/zinc/73/72/61/1034737261.db2.gz QQLJGRULVXDVFL-USXIJHARSA-N 1 2 363.889 2.749 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccnc(Cl)c3)C[C@H]21 ZINC001221422097 1034737277 /nfs/dbraw/zinc/73/72/77/1034737277.db2.gz QQLJGRULVXDVFL-USXIJHARSA-N 1 2 363.889 2.749 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3OC)C[C@H]21 ZINC001221428962 1034748430 /nfs/dbraw/zinc/74/84/30/1034748430.db2.gz AVKCETPWMXEDHR-LZLYRXPVSA-N 1 2 371.481 2.521 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3OC)C[C@H]21 ZINC001221428962 1034748443 /nfs/dbraw/zinc/74/84/43/1034748443.db2.gz AVKCETPWMXEDHR-LZLYRXPVSA-N 1 2 371.481 2.521 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3nc4cc(C)ccc4s3)C[C@H]21 ZINC001221441866 1034766498 /nfs/dbraw/zinc/76/64/98/1034766498.db2.gz XFSPTOSUROCYQR-NVXWUHKLSA-N 1 2 371.506 2.840 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+](Cc3nc4cc(C)ccc4s3)C[C@H]21 ZINC001221441866 1034766511 /nfs/dbraw/zinc/76/65/11/1034766511.db2.gz XFSPTOSUROCYQR-NVXWUHKLSA-N 1 2 371.506 2.840 20 30 FFEDLO CC[C@@H](C)OCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221483844 1034807279 /nfs/dbraw/zinc/80/72/79/1034807279.db2.gz DNBGFJQDJVBAID-IDHHARJASA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H](C)OCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221483844 1034807285 /nfs/dbraw/zinc/80/72/85/1034807285.db2.gz DNBGFJQDJVBAID-IDHHARJASA-N 1 2 359.445 2.545 20 30 FFEDLO CC(C)(C)OCC(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221493922 1034817655 /nfs/dbraw/zinc/81/76/55/1034817655.db2.gz KUPKLVUSJVSBII-IEBWSBKVSA-N 1 2 358.457 2.525 20 30 FFEDLO CC(C)(C)OCC(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221493922 1034817666 /nfs/dbraw/zinc/81/76/66/1034817666.db2.gz KUPKLVUSJVSBII-IEBWSBKVSA-N 1 2 358.457 2.525 20 30 FFEDLO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C#CC(C)C)[C@@H]2C1 ZINC001221530566 1034849156 /nfs/dbraw/zinc/84/91/56/1034849156.db2.gz QPGWVVUCARLBPY-QWFCFKBJSA-N 1 2 367.493 2.514 20 30 FFEDLO Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C#CC(C)C)[C@@H]2C1 ZINC001221530566 1034849168 /nfs/dbraw/zinc/84/91/68/1034849168.db2.gz QPGWVVUCARLBPY-QWFCFKBJSA-N 1 2 367.493 2.514 20 30 FFEDLO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C#CC(C)C)[C@@H]2C1 ZINC001221530565 1034849385 /nfs/dbraw/zinc/84/93/85/1034849385.db2.gz QPGWVVUCARLBPY-NLWGTHIKSA-N 1 2 367.493 2.514 20 30 FFEDLO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C#CC(C)C)[C@@H]2C1 ZINC001221530565 1034849398 /nfs/dbraw/zinc/84/93/98/1034849398.db2.gz QPGWVVUCARLBPY-NLWGTHIKSA-N 1 2 367.493 2.514 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@H]2CN(C(=O)C#CC(C)(C)C)[C@@H]2C1 ZINC001221539313 1034858347 /nfs/dbraw/zinc/85/83/47/1034858347.db2.gz VJTYRHQIHNUCAL-ZHALLVOQSA-N 1 2 367.493 2.596 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@@H]2CN(C(=O)C#CC(C)(C)C)[C@@H]2C1 ZINC001221539313 1034858354 /nfs/dbraw/zinc/85/83/54/1034858354.db2.gz VJTYRHQIHNUCAL-ZHALLVOQSA-N 1 2 367.493 2.596 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)CCC)C[C@H]21 ZINC001221571907 1034884153 /nfs/dbraw/zinc/88/41/53/1034884153.db2.gz FQDOHADUCMJZQJ-QXAKKESOSA-N 1 2 361.530 2.592 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@@H](C)CCC)C[C@H]21 ZINC001221571907 1034884160 /nfs/dbraw/zinc/88/41/60/1034884160.db2.gz FQDOHADUCMJZQJ-QXAKKESOSA-N 1 2 361.530 2.592 20 30 FFEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(OC)c(OC)n1)CCO2 ZINC001139103884 1034939840 /nfs/dbraw/zinc/93/98/40/1034939840.db2.gz XGLFLZSFDOLYRH-OXJNMPFZSA-N 1 2 362.470 2.673 20 30 FFEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(OC)c(OC)n1)CCO2 ZINC001139103884 1034939842 /nfs/dbraw/zinc/93/98/42/1034939842.db2.gz XGLFLZSFDOLYRH-OXJNMPFZSA-N 1 2 362.470 2.673 20 30 FFEDLO COc1ccc(OC)c(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1N ZINC001139277672 1035042958 /nfs/dbraw/zinc/04/29/58/1035042958.db2.gz FZFCULFLENSIKT-UHFFFAOYSA-N 1 2 370.428 2.619 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCN(c4ccccc4)C3=O)C[C@H]21 ZINC001221782840 1035065276 /nfs/dbraw/zinc/06/52/76/1035065276.db2.gz QJSHFGSIHDLCGO-MISYRCLQSA-N 1 2 367.493 2.681 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCN(c4ccccc4)C3=O)C[C@H]21 ZINC001221782840 1035065281 /nfs/dbraw/zinc/06/52/81/1035065281.db2.gz QJSHFGSIHDLCGO-MISYRCLQSA-N 1 2 367.493 2.681 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC(CC)CC)C[C@H]32)CC1 ZINC001221796398 1035077630 /nfs/dbraw/zinc/07/76/30/1035077630.db2.gz DCOBGXIRBOLJDX-SJLPKXTDSA-N 1 2 361.530 2.570 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3CC[N@H+](CC(=O)NC(CC)CC)C[C@H]32)CC1 ZINC001221796398 1035077634 /nfs/dbraw/zinc/07/76/34/1035077634.db2.gz DCOBGXIRBOLJDX-SJLPKXTDSA-N 1 2 361.530 2.570 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cccnc4OC)C[C@H]32)CCC1 ZINC001221797957 1035078779 /nfs/dbraw/zinc/07/87/79/1035078779.db2.gz PHEWYFSXPGCXCU-SJLPKXTDSA-N 1 2 355.482 2.869 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cccnc4OC)C[C@H]32)CCC1 ZINC001221797957 1035078784 /nfs/dbraw/zinc/07/87/84/1035078784.db2.gz PHEWYFSXPGCXCU-SJLPKXTDSA-N 1 2 355.482 2.869 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N[C@@H](C)CCC)C[C@H]32)CCC1 ZINC001221798112 1035079036 /nfs/dbraw/zinc/07/90/36/1035079036.db2.gz WZXXYLZEONNTDF-RCCFBDPRSA-N 1 2 361.530 2.570 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](CC(=O)N[C@@H](C)CCC)C[C@H]32)CCC1 ZINC001221798112 1035079040 /nfs/dbraw/zinc/07/90/40/1035079040.db2.gz WZXXYLZEONNTDF-RCCFBDPRSA-N 1 2 361.530 2.570 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccc(-c3ccccc3)nc2)CC1 ZINC001139519088 1035144234 /nfs/dbraw/zinc/14/42/34/1035144234.db2.gz MPAAUBDZGNJHMR-UHFFFAOYSA-N 1 2 356.433 2.732 20 30 FFEDLO C=CCN1CC[NH+](Cc2ccc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001139928566 1035279782 /nfs/dbraw/zinc/27/97/82/1035279782.db2.gz MQXPGJWKTOGHDZ-UHFFFAOYSA-N 1 2 360.502 2.542 20 30 FFEDLO N#Cc1ccc2[nH]cc(C[N@@H+]3CCc4onc(Cn5cccn5)c4C3)c2c1 ZINC001140113847 1035346297 /nfs/dbraw/zinc/34/62/97/1035346297.db2.gz LITWKNHXDCBJJB-UHFFFAOYSA-N 1 2 358.405 2.831 20 30 FFEDLO N#Cc1ccc2[nH]cc(C[N@H+]3CCc4onc(Cn5cccn5)c4C3)c2c1 ZINC001140113847 1035346301 /nfs/dbraw/zinc/34/63/01/1035346301.db2.gz LITWKNHXDCBJJB-UHFFFAOYSA-N 1 2 358.405 2.831 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc4c3OCCO4)CC2)c(F)c1 ZINC001140139115 1035356657 /nfs/dbraw/zinc/35/66/57/1035356657.db2.gz FZTBLLVYGUGKEE-UHFFFAOYSA-N 1 2 353.397 2.791 20 30 FFEDLO C#CC[NH+]1CCN(Cc2nc(Cl)ccc2NC(=O)OC(C)(C)C)CC1 ZINC001140188145 1035372962 /nfs/dbraw/zinc/37/29/62/1035372962.db2.gz NUAJPUPPXDPBBP-UHFFFAOYSA-N 1 2 364.877 2.833 20 30 FFEDLO N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2ccnc(C(F)(F)F)c2)C1=O ZINC001277658467 1035639199 /nfs/dbraw/zinc/63/91/99/1035639199.db2.gz SXYWZCYNWMRAAW-KRWDZBQOSA-N 1 2 366.387 2.971 20 30 FFEDLO N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccnc(C(F)(F)F)c2)C1=O ZINC001277658467 1035639206 /nfs/dbraw/zinc/63/92/06/1035639206.db2.gz SXYWZCYNWMRAAW-KRWDZBQOSA-N 1 2 366.387 2.971 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2nc(=O)[nH]c3sccc32)C1 ZINC001227842075 1035768141 /nfs/dbraw/zinc/76/81/41/1035768141.db2.gz AYXFVMPTRKRECD-AWEZNQCLSA-N 1 2 352.419 2.922 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2nc(=O)[nH]c3sccc32)C1 ZINC001227842075 1035768150 /nfs/dbraw/zinc/76/81/50/1035768150.db2.gz AYXFVMPTRKRECD-AWEZNQCLSA-N 1 2 352.419 2.922 20 30 FFEDLO Cn1cc([C@H]2COC3(C2)CC[NH+](Cc2cc(C#N)ccc2O)CC3)cn1 ZINC001232676112 1035932500 /nfs/dbraw/zinc/93/25/00/1035932500.db2.gz ZHNVQPULZSLVGZ-QGZVFWFLSA-N 1 2 352.438 2.536 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cc(C#N)ccc1O)C2 ZINC001232678771 1035937586 /nfs/dbraw/zinc/93/75/86/1035937586.db2.gz PECUEZXZDGBMGN-JLVBRIDZSA-N 1 2 357.454 2.999 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cc(C#N)ccc1O)C2 ZINC001232678771 1035937596 /nfs/dbraw/zinc/93/75/96/1035937596.db2.gz PECUEZXZDGBMGN-JLVBRIDZSA-N 1 2 357.454 2.999 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 ZINC001232680252 1035939108 /nfs/dbraw/zinc/93/91/08/1035939108.db2.gz AVVJTORHXWNYSI-UHFFFAOYSA-N 1 2 353.397 2.797 20 30 FFEDLO C#CCN1C(=O)COCC12C[NH+](Cc1ccc(CCCCCC)s1)C2 ZINC001277703998 1035961358 /nfs/dbraw/zinc/96/13/58/1035961358.db2.gz JUWAIVGFOBBPAM-UHFFFAOYSA-N 1 2 360.523 2.917 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccc(-c3cccc(F)c3)nc2)CC1 ZINC001232888792 1036130074 /nfs/dbraw/zinc/13/00/74/1036130074.db2.gz SBPUNBDBCMZCNV-UHFFFAOYSA-N 1 2 374.423 2.872 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)ccc1Br ZINC001232898095 1036139458 /nfs/dbraw/zinc/13/94/58/1036139458.db2.gz ZFNGTYDLXJKIKO-AWEZNQCLSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1cc(C[N@H+]2CC[C@H](Oc3ncccn3)C2)ccc1Br ZINC001232898095 1036139464 /nfs/dbraw/zinc/13/94/64/1036139464.db2.gz ZFNGTYDLXJKIKO-AWEZNQCLSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001233043858 1036287666 /nfs/dbraw/zinc/28/76/66/1036287666.db2.gz NJXWKFDCLZVVLV-QUCCMNQESA-N 1 2 352.438 2.731 20 30 FFEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001233043858 1036287681 /nfs/dbraw/zinc/28/76/81/1036287681.db2.gz NJXWKFDCLZVVLV-QUCCMNQESA-N 1 2 352.438 2.731 20 30 FFEDLO N#Cc1cc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)c(F)cc1F ZINC001277333302 1036348377 /nfs/dbraw/zinc/34/83/77/1036348377.db2.gz GKFARPUTIIRQMZ-HUUCEWRRSA-N 1 2 355.335 2.667 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)c(F)cc1F ZINC001277333302 1036348386 /nfs/dbraw/zinc/34/83/86/1036348386.db2.gz GKFARPUTIIRQMZ-HUUCEWRRSA-N 1 2 355.335 2.667 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCc3onc(COc4ccccn4)c3C2)c(O)c1 ZINC001233385544 1036584613 /nfs/dbraw/zinc/58/46/13/1036584613.db2.gz LRZHHYVPUKXGNC-UHFFFAOYSA-N 1 2 362.389 2.784 20 30 FFEDLO C=CCSc1ncccc1C(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001277381003 1036637806 /nfs/dbraw/zinc/63/78/06/1036637806.db2.gz UMOGDKJHPQYUPT-UHFFFAOYSA-N 1 2 354.479 2.646 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](Cc3ccc(CC)cc3O)C[C@@]2(F)C1=O ZINC001277826524 1036881025 /nfs/dbraw/zinc/88/10/25/1036881025.db2.gz MVJCNZJYWZXHMN-RBUKOAKNSA-N 1 2 350.409 2.605 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](Cc3ccc(CC)cc3O)C[C@@]2(F)C1=O ZINC001277826524 1036881050 /nfs/dbraw/zinc/88/10/50/1036881050.db2.gz MVJCNZJYWZXHMN-RBUKOAKNSA-N 1 2 350.409 2.605 20 30 FFEDLO COc1ccc2nc(C[N@@H+]3C[C@@H](C)[C@H](NC(=O)C#CC4CC4)C3)sc2c1 ZINC001206948246 1036968220 /nfs/dbraw/zinc/96/82/20/1036968220.db2.gz BDJXQZVHBZBEEM-CXAGYDPISA-N 1 2 369.490 2.655 20 30 FFEDLO COc1ccc2nc(C[N@H+]3C[C@@H](C)[C@H](NC(=O)C#CC4CC4)C3)sc2c1 ZINC001206948246 1036968237 /nfs/dbraw/zinc/96/82/37/1036968237.db2.gz BDJXQZVHBZBEEM-CXAGYDPISA-N 1 2 369.490 2.655 20 30 FFEDLO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001206949739 1036969138 /nfs/dbraw/zinc/96/91/38/1036969138.db2.gz NXFFAYTVPUHANA-ZHALLVOQSA-N 1 2 369.509 2.808 20 30 FFEDLO Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001206949739 1036969154 /nfs/dbraw/zinc/96/91/54/1036969154.db2.gz NXFFAYTVPUHANA-ZHALLVOQSA-N 1 2 369.509 2.808 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C(C)C ZINC001206949498 1036970414 /nfs/dbraw/zinc/97/04/14/1036970414.db2.gz GFBGCFVHORXGDW-ZMYBRWDISA-N 1 2 361.461 2.695 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C(C)C ZINC001206949498 1036970429 /nfs/dbraw/zinc/97/04/29/1036970429.db2.gz GFBGCFVHORXGDW-ZMYBRWDISA-N 1 2 361.461 2.695 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001234403790 1037020966 /nfs/dbraw/zinc/02/09/66/1037020966.db2.gz ZIMIVCTZPURQPY-IYWMVGAKSA-N 1 2 373.541 2.546 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001234403790 1037020980 /nfs/dbraw/zinc/02/09/80/1037020980.db2.gz ZIMIVCTZPURQPY-IYWMVGAKSA-N 1 2 373.541 2.546 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001207184864 1037230327 /nfs/dbraw/zinc/23/03/27/1037230327.db2.gz DSUMVAURIOITAB-OAHLLOKOSA-N 1 2 352.500 2.908 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001207184864 1037230341 /nfs/dbraw/zinc/23/03/41/1037230341.db2.gz DSUMVAURIOITAB-OAHLLOKOSA-N 1 2 352.500 2.908 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Br)co1 ZINC001277949411 1037588061 /nfs/dbraw/zinc/58/80/61/1037588061.db2.gz XAAQZCJSQBFOSV-INIZCTEOSA-N 1 2 351.244 2.632 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Br)co1 ZINC001277949411 1037588069 /nfs/dbraw/zinc/58/80/69/1037588069.db2.gz XAAQZCJSQBFOSV-INIZCTEOSA-N 1 2 351.244 2.632 20 30 FFEDLO Cc1ccc(S(=O)(=O)n2cccc2C[NH+]2CCC(S)CC2)cc1 ZINC001231498400 1037634792 /nfs/dbraw/zinc/63/47/92/1037634792.db2.gz VSVZPKXZOROBDH-UHFFFAOYSA-N 1 2 350.509 2.928 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)c4cc(Cl)cs4)C3)C2)cc1C#N ZINC001277554388 1037833662 /nfs/dbraw/zinc/83/36/62/1037833662.db2.gz DFEPLNTVBHMGDQ-UHFFFAOYSA-N 1 2 360.870 2.570 20 30 FFEDLO COCC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208066723 1037990570 /nfs/dbraw/zinc/99/05/70/1037990570.db2.gz KWDUTFWJSCYRFF-RDTXWAMCSA-N 1 2 361.461 2.697 20 30 FFEDLO COCC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208066723 1037990582 /nfs/dbraw/zinc/99/05/82/1037990582.db2.gz KWDUTFWJSCYRFF-RDTXWAMCSA-N 1 2 361.461 2.697 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](Cc2cnc(F)c(C)c2)Cc2nnn(CC3CC3)c21 ZINC001231925583 1038019612 /nfs/dbraw/zinc/01/96/12/1038019612.db2.gz XNJKKYIURVQUPR-QGZVFWFLSA-N 1 2 371.460 2.833 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](Cc2cnc(F)c(C)c2)Cc2nnn(CC3CC3)c21 ZINC001231925583 1038019634 /nfs/dbraw/zinc/01/96/34/1038019634.db2.gz XNJKKYIURVQUPR-QGZVFWFLSA-N 1 2 371.460 2.833 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@]23CCN(Cc2cnoc2)C3=O)cc1Cl ZINC001277596829 1038089412 /nfs/dbraw/zinc/08/94/12/1038089412.db2.gz OCHVYHDXYCSNQZ-LJQANCHMSA-N 1 2 370.840 2.967 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@]23CCN(Cc2cnoc2)C3=O)cc1Cl ZINC001277596829 1038089435 /nfs/dbraw/zinc/08/94/35/1038089435.db2.gz OCHVYHDXYCSNQZ-LJQANCHMSA-N 1 2 370.840 2.967 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001208149958 1038090626 /nfs/dbraw/zinc/09/06/26/1038090626.db2.gz MCPKQAWJDITKMU-QINHECLXSA-N 1 2 363.502 2.963 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001208149958 1038090649 /nfs/dbraw/zinc/09/06/49/1038090649.db2.gz MCPKQAWJDITKMU-QINHECLXSA-N 1 2 363.502 2.963 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001208150594 1038091163 /nfs/dbraw/zinc/09/11/63/1038091163.db2.gz SESSFIZVFJKQBJ-JXXFODFXSA-N 1 2 363.502 2.963 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001208150594 1038091186 /nfs/dbraw/zinc/09/11/86/1038091186.db2.gz SESSFIZVFJKQBJ-JXXFODFXSA-N 1 2 363.502 2.963 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(CC)cc2)C[C@H]1C ZINC001208309764 1038204001 /nfs/dbraw/zinc/20/40/01/1038204001.db2.gz VYWAWGRKFXVRPW-CRAIPNDOSA-N 1 2 357.498 2.836 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(CC)cc2)C[C@H]1C ZINC001208309764 1038204014 /nfs/dbraw/zinc/20/40/14/1038204014.db2.gz VYWAWGRKFXVRPW-CRAIPNDOSA-N 1 2 357.498 2.836 20 30 FFEDLO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C)cc1C#N ZINC001278006959 1038246894 /nfs/dbraw/zinc/24/68/94/1038246894.db2.gz VKIRAVGGFIJZAG-IIBYNOLFSA-N 1 2 353.466 2.801 20 30 FFEDLO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C)cc1C#N ZINC001278006959 1038246902 /nfs/dbraw/zinc/24/69/02/1038246902.db2.gz VKIRAVGGFIJZAG-IIBYNOLFSA-N 1 2 353.466 2.801 20 30 FFEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(Br)cnn1C)C2 ZINC001209709280 1039144964 /nfs/dbraw/zinc/14/49/64/1039144964.db2.gz PXKWLDPREVJHCS-CZUORRHYSA-N 1 2 370.291 2.509 20 30 FFEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(Br)cnn1C)C2 ZINC001209709280 1039144973 /nfs/dbraw/zinc/14/49/73/1039144973.db2.gz PXKWLDPREVJHCS-CZUORRHYSA-N 1 2 370.291 2.509 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1Cc1ccc(Br)cc1N1CCCCC1 ZINC001210122928 1039392616 /nfs/dbraw/zinc/39/26/16/1039392616.db2.gz VPZPDQPSZHSDKF-MRXNPFEDSA-N 1 2 363.303 2.737 20 30 FFEDLO Cc1[nH+]cc(Nc2ncc(C#N)cc2I)cc1N ZINC001210286603 1039471533 /nfs/dbraw/zinc/47/15/33/1039471533.db2.gz ALGNVKOFQCSNTM-UHFFFAOYSA-N 1 2 351.151 2.587 20 30 FFEDLO C[C@@](O)(CNc1cccc[nH+]1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252313481 1039494364 /nfs/dbraw/zinc/49/43/64/1039494364.db2.gz ZTQNXVKMJQDDLP-MRXNPFEDSA-N 1 2 364.327 2.774 20 30 FFEDLO C#Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)cc1 ZINC001210363841 1039501776 /nfs/dbraw/zinc/50/17/76/1039501776.db2.gz RVPQRMAETWVOMN-OAQYLSRUSA-N 1 2 363.461 2.999 20 30 FFEDLO C#Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)cc1 ZINC001210363841 1039501785 /nfs/dbraw/zinc/50/17/85/1039501785.db2.gz RVPQRMAETWVOMN-OAQYLSRUSA-N 1 2 363.461 2.999 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H](N2CCC(C#Cc3ccccc3)CC2)C[NH2+]1 ZINC001246924568 1039534566 /nfs/dbraw/zinc/53/45/66/1039534566.db2.gz SWUFBUKSGMOCTG-UXHICEINSA-N 1 2 354.494 2.822 20 30 FFEDLO C=CCC[C@H]([NH3+])c1nc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)no1 ZINC001247622101 1039842903 /nfs/dbraw/zinc/84/29/03/1039842903.db2.gz FWJVHYCEMUWUSR-NSHDSACASA-N 1 2 361.345 2.996 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(OC)no2)C[C@H]1C)c1ccccc1 ZINC001211200302 1039993312 /nfs/dbraw/zinc/99/33/12/1039993312.db2.gz SVQMMFRSOFVQNH-AYOQOUSVSA-N 1 2 369.465 2.980 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)no2)C[C@H]1C)c1ccccc1 ZINC001211200302 1039993320 /nfs/dbraw/zinc/99/33/20/1039993320.db2.gz SVQMMFRSOFVQNH-AYOQOUSVSA-N 1 2 369.465 2.980 20 30 FFEDLO C#CC[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C)c1ccccc1 ZINC001211473490 1040237395 /nfs/dbraw/zinc/23/73/95/1040237395.db2.gz PIVCJCFFKRDNKH-SLYNCCJLSA-N 1 2 364.493 2.554 20 30 FFEDLO C#CC[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C)c1ccccc1 ZINC001211473490 1040237408 /nfs/dbraw/zinc/23/74/08/1040237408.db2.gz PIVCJCFFKRDNKH-SLYNCCJLSA-N 1 2 364.493 2.554 20 30 FFEDLO CC[N@H+](CCC#N)Cc1ccc(OC)c(I)c1O ZINC001248489482 1040298956 /nfs/dbraw/zinc/29/89/56/1040298956.db2.gz JLOMOBAEALCHMH-UHFFFAOYSA-N 1 2 360.195 2.741 20 30 FFEDLO CC[N@@H+](CCC#N)Cc1ccc(OC)c(I)c1O ZINC001248489482 1040298970 /nfs/dbraw/zinc/29/89/70/1040298970.db2.gz JLOMOBAEALCHMH-UHFFFAOYSA-N 1 2 360.195 2.741 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nsc3ccccc23)C[C@H]1OC ZINC001213310356 1040436069 /nfs/dbraw/zinc/43/60/69/1040436069.db2.gz KHVDETRIXYVKLQ-QZTJIDSGSA-N 1 2 371.506 2.805 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nsc3ccccc23)C[C@H]1OC ZINC001213310356 1040436078 /nfs/dbraw/zinc/43/60/78/1040436078.db2.gz KHVDETRIXYVKLQ-QZTJIDSGSA-N 1 2 371.506 2.805 20 30 FFEDLO C[S@@](=O)CC[C@H]([NH3+])c1nc(-c2cc(Cl)c(C#N)cc2Cl)no1 ZINC001249249115 1040652943 /nfs/dbraw/zinc/65/29/43/1040652943.db2.gz LQPIRDQBTIFBHB-KPWVOAKYSA-N 1 2 359.238 2.683 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)CCC(C)(C)C ZINC001213603589 1040710849 /nfs/dbraw/zinc/71/08/49/1040710849.db2.gz KTIZSMZUCFVLKP-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)CCC(C)(C)C ZINC001213603589 1040710870 /nfs/dbraw/zinc/71/08/70/1040710870.db2.gz KTIZSMZUCFVLKP-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO C=C[C@H]1C[C@@]1([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)OCC ZINC001254467473 1040735184 /nfs/dbraw/zinc/73/51/84/1040735184.db2.gz AQOJCGFFUZPKMW-LIRRHRJNSA-N 1 2 359.426 2.661 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cnoc3C)C[C@H]2OC)CCCCC1 ZINC001213903145 1041054304 /nfs/dbraw/zinc/05/43/04/1041054304.db2.gz IUERWORRYIOOLB-QZTJIDSGSA-N 1 2 361.486 2.825 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cnoc3C)C[C@H]2OC)CCCCC1 ZINC001213903145 1041054319 /nfs/dbraw/zinc/05/43/19/1041054319.db2.gz IUERWORRYIOOLB-QZTJIDSGSA-N 1 2 361.486 2.825 20 30 FFEDLO CC[C@H](CC#N)[N@H+]1CCc2nc(C(=O)Nc3cccnc3)sc2CC1 ZINC001255167760 1041179207 /nfs/dbraw/zinc/17/92/07/1041179207.db2.gz HBMNQAAPIHRJIB-CQSZACIVSA-N 1 2 355.467 2.883 20 30 FFEDLO CC[C@H](CC#N)[N@@H+]1CCc2nc(C(=O)Nc3cccnc3)sc2CC1 ZINC001255167760 1041179213 /nfs/dbraw/zinc/17/92/13/1041179213.db2.gz HBMNQAAPIHRJIB-CQSZACIVSA-N 1 2 355.467 2.883 20 30 FFEDLO CC(C)CCc1noc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2C)n1 ZINC001214586087 1041493588 /nfs/dbraw/zinc/49/35/88/1041493588.db2.gz ULKQBALHGMGYCS-HZPDHXFCSA-N 1 2 360.502 2.644 20 30 FFEDLO C=CCCOCCCCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2noc(C)n2)C1 ZINC001214621837 1041508277 /nfs/dbraw/zinc/50/82/77/1041508277.db2.gz LHHWSIPAYGJMON-HLLBOEOZSA-N 1 2 364.490 2.639 20 30 FFEDLO CCCCCCCCOCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001214863242 1041598835 /nfs/dbraw/zinc/59/88/35/1041598835.db2.gz JMLXMXLSYLTQJM-NVXWUHKLSA-N 1 2 366.506 2.692 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC001215379365 1041764657 /nfs/dbraw/zinc/76/46/57/1041764657.db2.gz LTDMFPLIUOEWCM-YQVWRLOYSA-N 1 2 367.497 2.806 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCO[C@](C)(C(F)(F)F)C1 ZINC001262952005 1041984407 /nfs/dbraw/zinc/98/44/07/1041984407.db2.gz GUMSMJYIQQJXQR-INIZCTEOSA-N 1 2 373.423 2.608 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](C3CCC3)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001263285391 1042221397 /nfs/dbraw/zinc/22/13/97/1042221397.db2.gz GEPQBSYKLPHMCG-BBTUJRGHSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](C3CCC3)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001263285391 1042221398 /nfs/dbraw/zinc/22/13/98/1042221398.db2.gz GEPQBSYKLPHMCG-BBTUJRGHSA-N 1 2 373.545 2.782 20 30 FFEDLO CO[C@@H]1CC[C@H]1N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC(C)C ZINC001263418943 1042296442 /nfs/dbraw/zinc/29/64/42/1042296442.db2.gz XDWBLCCTCFOFIS-QZTJIDSGSA-N 1 2 374.533 2.641 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2c[nH]c3cccc(C#N)c32)CC1 ZINC001263732437 1042455551 /nfs/dbraw/zinc/45/55/51/1042455551.db2.gz GJCBXWVUHRBJBR-OAHLLOKOSA-N 1 2 359.433 2.954 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C(F)C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001264053434 1042600457 /nfs/dbraw/zinc/60/04/57/1042600457.db2.gz WXTRBUSLZJJLPT-RRFJBIMHSA-N 1 2 357.351 2.928 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C(F)C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001264053434 1042600460 /nfs/dbraw/zinc/60/04/60/1042600460.db2.gz WXTRBUSLZJJLPT-RRFJBIMHSA-N 1 2 357.351 2.928 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC001264140401 1042633781 /nfs/dbraw/zinc/63/37/81/1042633781.db2.gz DKJCNLWUTVQZGV-QRWLVFNGSA-N 1 2 366.440 2.504 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC001264140401 1042633784 /nfs/dbraw/zinc/63/37/84/1042633784.db2.gz DKJCNLWUTVQZGV-QRWLVFNGSA-N 1 2 366.440 2.504 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCn2ccnc2C)C1 ZINC001264446590 1042673714 /nfs/dbraw/zinc/67/37/14/1042673714.db2.gz DPPJEOHUPWKIHU-LEWJYISDSA-N 1 2 364.493 2.579 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCn2ccnc2C)C1 ZINC001264446590 1042673719 /nfs/dbraw/zinc/67/37/19/1042673719.db2.gz DPPJEOHUPWKIHU-LEWJYISDSA-N 1 2 364.493 2.579 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1CC[N@H+](Cc2noc3c2CCCC3)[C@@H]1C ZINC001264696405 1042782803 /nfs/dbraw/zinc/78/28/03/1042782803.db2.gz QBSHVAOTRANJKS-WBVHZDCISA-N 1 2 361.486 2.615 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1CC[N@@H+](Cc2noc3c2CCCC3)[C@@H]1C ZINC001264696405 1042782807 /nfs/dbraw/zinc/78/28/07/1042782807.db2.gz QBSHVAOTRANJKS-WBVHZDCISA-N 1 2 361.486 2.615 20 30 FFEDLO Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C#CC(C)(C)C)[C@H]2C)c1 ZINC001264700150 1042785801 /nfs/dbraw/zinc/78/58/01/1042785801.db2.gz UPVOAEUPLWSOGL-MJGOQNOKSA-N 1 2 369.509 2.870 20 30 FFEDLO Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C#CC(C)(C)C)[C@H]2C)c1 ZINC001264700150 1042785807 /nfs/dbraw/zinc/78/58/07/1042785807.db2.gz UPVOAEUPLWSOGL-MJGOQNOKSA-N 1 2 369.509 2.870 20 30 FFEDLO C#Cc1cccc(C[NH+]2CC3(CCN3C(=O)Nc3c(C)noc3C)C2)c1 ZINC001279301723 1042991459 /nfs/dbraw/zinc/99/14/59/1042991459.db2.gz MHWFGLQJFAFTLN-UHFFFAOYSA-N 1 2 350.422 2.765 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3Cc2ccc[nH]2)cc1Cl ZINC001279471263 1043154012 /nfs/dbraw/zinc/15/40/12/1043154012.db2.gz WQSJVHSXTNWIEW-HDICACEKSA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3Cc2ccc[nH]2)cc1Cl ZINC001279471263 1043154017 /nfs/dbraw/zinc/15/40/17/1043154017.db2.gz WQSJVHSXTNWIEW-HDICACEKSA-N 1 2 356.857 2.625 20 30 FFEDLO Cc1ncsc1C[N@@H+]1CCC2(CN(Cc3ccc(C#N)cc3O)C2)C1 ZINC001279497646 1043188173 /nfs/dbraw/zinc/18/81/73/1043188173.db2.gz JFAYERHBUCSTOD-UHFFFAOYSA-N 1 2 354.479 2.737 20 30 FFEDLO Cc1ncsc1C[N@H+]1CCC2(CN(Cc3ccc(C#N)cc3O)C2)C1 ZINC001279497646 1043188182 /nfs/dbraw/zinc/18/81/82/1043188182.db2.gz JFAYERHBUCSTOD-UHFFFAOYSA-N 1 2 354.479 2.737 20 30 FFEDLO Cc1ncsc1CN1CCC2(C[NH+](Cc3ccc(C#N)cc3O)C2)C1 ZINC001279497646 1043188190 /nfs/dbraw/zinc/18/81/90/1043188190.db2.gz JFAYERHBUCSTOD-UHFFFAOYSA-N 1 2 354.479 2.737 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3CCCc2cccc(F)c2)cc1C#N ZINC001279633009 1043374145 /nfs/dbraw/zinc/37/41/45/1043374145.db2.gz STXVRHBDZCOGHE-OYRHEFFESA-N 1 2 352.457 2.927 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3CCCc2cccc(F)c2)cc1C#N ZINC001279633009 1043374151 /nfs/dbraw/zinc/37/41/51/1043374151.db2.gz STXVRHBDZCOGHE-OYRHEFFESA-N 1 2 352.457 2.927 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCc3nc(C(=O)NCC(F)F)ccc3C2)cc1 ZINC001279735281 1043554855 /nfs/dbraw/zinc/55/48/55/1043554855.db2.gz LYIRZEMHRDZYFM-UHFFFAOYSA-N 1 2 356.376 2.506 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCc3nc(C(=O)NCC(F)F)ccc3C2)cc1 ZINC001279735281 1043554864 /nfs/dbraw/zinc/55/48/64/1043554864.db2.gz LYIRZEMHRDZYFM-UHFFFAOYSA-N 1 2 356.376 2.506 20 30 FFEDLO N#Cc1c(Cl)cccc1C[N@@H+]1C[C@H]2C[C@H](CC(=O)N3CC=CC3)O[C@H]2C1 ZINC001279740792 1043565261 /nfs/dbraw/zinc/56/52/61/1043565261.db2.gz FFQYGIKBKQJGAP-MDZRGWNJSA-N 1 2 371.868 2.589 20 30 FFEDLO N#Cc1c(Cl)cccc1C[N@H+]1C[C@H]2C[C@H](CC(=O)N3CC=CC3)O[C@H]2C1 ZINC001279740792 1043565266 /nfs/dbraw/zinc/56/52/66/1043565266.db2.gz FFQYGIKBKQJGAP-MDZRGWNJSA-N 1 2 371.868 2.589 20 30 FFEDLO CCCCCCC[N@@H+]1CCc2c([nH]nc2C(=O)N[C@@H](C)c2ncc[nH]2)C1 ZINC001279864862 1043796983 /nfs/dbraw/zinc/79/69/83/1043796983.db2.gz JZTUUZHRDUEFCY-AWEZNQCLSA-N 1 2 358.490 2.952 20 30 FFEDLO CCCCCCC[N@H+]1CCc2c([nH]nc2C(=O)N[C@@H](C)c2ncc[nH]2)C1 ZINC001279864862 1043796988 /nfs/dbraw/zinc/79/69/88/1043796988.db2.gz JZTUUZHRDUEFCY-AWEZNQCLSA-N 1 2 358.490 2.952 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(-c2cccn2C)n1CCCNc1cccc[nH+]1 ZINC001538995296 1070533347 /nfs/dbraw/zinc/53/33/47/1070533347.db2.gz LUASBQUJOLTEQX-INIZCTEOSA-N 1 2 363.469 2.639 20 30 FFEDLO Cc1nc(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)ccc1Cl ZINC001279935369 1043944865 /nfs/dbraw/zinc/94/48/65/1043944865.db2.gz LLADAFPICABHDR-UHFFFAOYSA-N 1 2 355.873 2.571 20 30 FFEDLO Cc1cc(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c(Cl)nc1C ZINC001279947425 1043967575 /nfs/dbraw/zinc/96/75/75/1043967575.db2.gz VHXVFIGMQYGYNX-UHFFFAOYSA-N 1 2 369.900 2.880 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(CC2CC2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001539023133 1070543006 /nfs/dbraw/zinc/54/30/06/1070543006.db2.gz MNAPDQHQPUYNMZ-INIZCTEOSA-N 1 2 366.513 2.978 20 30 FFEDLO C=C(C)c1cccc(C(C)(C)NC(=O)N2CC[NH2+]C[C@H]2C(=O)OCC)c1 ZINC001239272171 1044088816 /nfs/dbraw/zinc/08/88/16/1044088816.db2.gz PEKMWFZVJCBDTI-KRWDZBQOSA-N 1 2 359.470 2.501 20 30 FFEDLO C=C(C)c1cccc(C(C)(C)NC(=O)N2CC[NH2+]C[C@@H]2C(=O)OCC)c1 ZINC001239272172 1044089347 /nfs/dbraw/zinc/08/93/47/1044089347.db2.gz PEKMWFZVJCBDTI-QGZVFWFLSA-N 1 2 359.470 2.501 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2cc(Cl)c(O)cc2F)cc1C#N ZINC001280052696 1044140040 /nfs/dbraw/zinc/14/00/40/1044140040.db2.gz NGUIVCJFQWXIMS-IYBDPMFKSA-N 1 2 374.847 2.854 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2cc(Cl)c(O)cc2F)cc1C#N ZINC001280052696 1044140049 /nfs/dbraw/zinc/14/00/49/1044140049.db2.gz NGUIVCJFQWXIMS-IYBDPMFKSA-N 1 2 374.847 2.854 20 30 FFEDLO CCn1ccnc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc(Cl)c(C#N)c1 ZINC001280074348 1044172761 /nfs/dbraw/zinc/17/27/61/1044172761.db2.gz PFQSIXIGFVEJLQ-CALCHBBNSA-N 1 2 355.873 2.887 20 30 FFEDLO CCn1ccnc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc(Cl)c(C#N)c1 ZINC001280074348 1044172769 /nfs/dbraw/zinc/17/27/69/1044172769.db2.gz PFQSIXIGFVEJLQ-CALCHBBNSA-N 1 2 355.873 2.887 20 30 FFEDLO N#Cc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3Cc2ccc[nH]2)ccc1Cl ZINC001280074406 1044173205 /nfs/dbraw/zinc/17/32/05/1044173205.db2.gz QBYZQGMDQLDGOI-HDICACEKSA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3Cc2ccc[nH]2)ccc1Cl ZINC001280074406 1044173209 /nfs/dbraw/zinc/17/32/09/1044173209.db2.gz QBYZQGMDQLDGOI-HDICACEKSA-N 1 2 356.857 2.625 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3cc(F)ccc3CC#N)cn2)CC1 ZINC001241560067 1044546553 /nfs/dbraw/zinc/54/65/53/1044546553.db2.gz HWWWGZVGTQVPTQ-UHFFFAOYSA-N 1 2 353.445 2.613 20 30 FFEDLO C/C(=N\O)c1ccc(-c2ccc(NCC[NH+]3CCN(C)CC3)nc2)cc1 ZINC001241567942 1044553656 /nfs/dbraw/zinc/55/36/56/1044553656.db2.gz HMJOYROKZPAUJL-XQNSMLJCSA-N 1 2 353.470 2.606 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(F)cccc1C#N ZINC001278340148 1044659659 /nfs/dbraw/zinc/65/96/59/1044659659.db2.gz HHIILCULKIMFOP-GASCZTMLSA-N 1 2 370.453 2.951 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(F)cccc1C#N ZINC001278340148 1044659666 /nfs/dbraw/zinc/65/96/66/1044659666.db2.gz HHIILCULKIMFOP-GASCZTMLSA-N 1 2 370.453 2.951 20 30 FFEDLO C=CC(C)(C)CC(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001280888560 1044761577 /nfs/dbraw/zinc/76/15/77/1044761577.db2.gz SZGYPCYCGSGQKU-HZPDHXFCSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CC(C)(C)CC(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001280888560 1044761587 /nfs/dbraw/zinc/76/15/87/1044761587.db2.gz SZGYPCYCGSGQKU-HZPDHXFCSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@@H](C)CC)CC[C@@H]1c1ccccc1 ZINC001316719902 1044829464 /nfs/dbraw/zinc/82/94/64/1044829464.db2.gz ROYNLBFWRHNCOR-DFQSSKMNSA-N 1 2 371.525 2.842 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)CC)CC[C@@H]1c1ccccc1 ZINC001316719902 1044829495 /nfs/dbraw/zinc/82/94/95/1044829495.db2.gz ROYNLBFWRHNCOR-DFQSSKMNSA-N 1 2 371.525 2.842 20 30 FFEDLO COC(=O)c1ccc(-c2cc(F)ccc2C[NH+]2CCOCC2)cc1C#N ZINC001243086732 1044858136 /nfs/dbraw/zinc/85/81/36/1044858136.db2.gz UPVIIHUFXZDXLV-UHFFFAOYSA-N 1 2 354.381 2.983 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)[C@@H]1C ZINC001316783578 1044954299 /nfs/dbraw/zinc/95/42/99/1044954299.db2.gz VRNRLFCENXPMSM-IGCXYCKISA-N 1 2 352.837 2.596 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)[C@@H]1C ZINC001316783578 1044954313 /nfs/dbraw/zinc/95/43/13/1044954313.db2.gz VRNRLFCENXPMSM-IGCXYCKISA-N 1 2 352.837 2.596 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3CCN(C(=O)C[C@H](C)n4cc[nH+]c4)[C@@H]3C2)CCC1 ZINC001281616485 1044967461 /nfs/dbraw/zinc/96/74/61/1044967461.db2.gz IRYRRWCVUSISCB-OKZBNKHCSA-N 1 2 370.497 2.640 20 30 FFEDLO Cc1nc(-c2ccc(OCC[NH+]3CCOCC3)cc2F)ccc1CC#N ZINC001244135476 1045085277 /nfs/dbraw/zinc/08/52/77/1045085277.db2.gz HQGSZSUFCGUEPA-UHFFFAOYSA-N 1 2 355.413 2.973 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C)cc2)CC1 ZINC001539427960 1070635512 /nfs/dbraw/zinc/63/55/12/1070635512.db2.gz KOMOFGOXPYJZOX-UHFFFAOYSA-N 1 2 351.498 2.688 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC001539430864 1070636759 /nfs/dbraw/zinc/63/67/59/1070636759.db2.gz MWSULHCITQDKBN-OALUTQOASA-N 1 2 373.545 2.752 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CC2(CCOCC)CCC2)CC1 ZINC001539446199 1070639376 /nfs/dbraw/zinc/63/93/76/1070639376.db2.gz ULXCSJDQPRZDDC-UHFFFAOYSA-N 1 2 371.529 2.508 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CCCc2ccccc2F)CC1 ZINC001539445924 1070639449 /nfs/dbraw/zinc/63/94/49/1070639449.db2.gz KMXLMLLZXUFWNL-UHFFFAOYSA-N 1 2 367.472 2.683 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2CC(C)C)c1 ZINC001320049974 1045337764 /nfs/dbraw/zinc/33/77/64/1045337764.db2.gz UFHCTAKOMVIHHD-UYAOXDASSA-N 1 2 369.509 2.679 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2CC(C)C)c1 ZINC001320049974 1045337770 /nfs/dbraw/zinc/33/77/70/1045337770.db2.gz UFHCTAKOMVIHHD-UYAOXDASSA-N 1 2 369.509 2.679 20 30 FFEDLO C=CC[C@H](NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)C(=O)OCC ZINC001320259115 1045377701 /nfs/dbraw/zinc/37/77/01/1045377701.db2.gz MGFIVIOIIUSBQV-KRWDZBQOSA-N 1 2 368.437 2.635 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)c(OC)cc2OC)C1 ZINC001320322756 1045390154 /nfs/dbraw/zinc/39/01/54/1045390154.db2.gz YOWDCOBMUSJKLE-GFCCVEGCSA-N 1 2 354.834 2.573 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)c(OC)cc2OC)C1 ZINC001320322756 1045390160 /nfs/dbraw/zinc/39/01/60/1045390160.db2.gz YOWDCOBMUSJKLE-GFCCVEGCSA-N 1 2 354.834 2.573 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1CC[C@H](c2ccccc2)C1=O ZINC001323531308 1045626448 /nfs/dbraw/zinc/62/64/48/1045626448.db2.gz XIVLMJOYWMRBMY-OAQYLSRUSA-N 1 2 363.461 2.980 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1CC[C@H](c2ccccc2)C1=O ZINC001323531308 1045626454 /nfs/dbraw/zinc/62/64/54/1045626454.db2.gz XIVLMJOYWMRBMY-OAQYLSRUSA-N 1 2 363.461 2.980 20 30 FFEDLO Nc1ccc(C=[NH+]Nc2ccc(S(=O)(=O)NC3CC3)cc2)c(Cl)c1 ZINC001324103323 1045866405 /nfs/dbraw/zinc/86/64/05/1045866405.db2.gz VZEJYLCRMLLMST-UHFFFAOYSA-N 1 2 364.858 2.809 20 30 FFEDLO C#CCOCC[N@@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC001324515981 1046077303 /nfs/dbraw/zinc/07/73/03/1046077303.db2.gz JTHJLYPXMQZKDM-UHFFFAOYSA-N 1 2 356.245 2.642 20 30 FFEDLO C#CCOCC[N@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC001324515981 1046077320 /nfs/dbraw/zinc/07/73/20/1046077320.db2.gz JTHJLYPXMQZKDM-UHFFFAOYSA-N 1 2 356.245 2.642 20 30 FFEDLO C=CCCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3[nH+]ccn31)C2 ZINC001282758543 1046162029 /nfs/dbraw/zinc/16/20/29/1046162029.db2.gz NKIPWSZEXKDSDX-OAGGEKHMSA-N 1 2 352.438 2.552 20 30 FFEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)c(F)c1 ZINC001322665839 1046172114 /nfs/dbraw/zinc/17/21/14/1046172114.db2.gz OUOYTOVYJBAWGJ-IBGZPJMESA-N 1 2 352.413 2.763 20 30 FFEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)c(F)c1 ZINC001322665839 1046172119 /nfs/dbraw/zinc/17/21/19/1046172119.db2.gz OUOYTOVYJBAWGJ-IBGZPJMESA-N 1 2 352.413 2.763 20 30 FFEDLO C=CCN(C)c1nnc([C@@H]2CCCOC2)n1CCc1cn2ccccc2[nH+]1 ZINC001540072885 1070755959 /nfs/dbraw/zinc/75/59/59/1070755959.db2.gz XIUSCQNOERJNDB-MRXNPFEDSA-N 1 2 366.469 2.685 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001325165217 1046400207 /nfs/dbraw/zinc/40/02/07/1046400207.db2.gz HQCGQQKWCHOKRK-KRWDZBQOSA-N 1 2 372.513 2.764 20 30 FFEDLO C=CC1(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCCC1 ZINC001284097275 1046481838 /nfs/dbraw/zinc/48/18/38/1046481838.db2.gz XPPOKKLVERHCIZ-YYIAUSFCSA-N 1 2 370.497 2.803 20 30 FFEDLO C=CC1(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCCC1 ZINC001284097275 1046481845 /nfs/dbraw/zinc/48/18/45/1046481845.db2.gz XPPOKKLVERHCIZ-YYIAUSFCSA-N 1 2 370.497 2.803 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(-c2ccccn2)n1CCCNc1cccc[nH+]1 ZINC001286287946 1047063859 /nfs/dbraw/zinc/06/38/59/1047063859.db2.gz QBZXHGRGBXUYPO-INIZCTEOSA-N 1 2 361.453 2.695 20 30 FFEDLO C#CCN(CC#CC)c1nnc([C@@H](C)CC)n1Cc1c[nH+]ccc1OC ZINC001286419763 1047105121 /nfs/dbraw/zinc/10/51/21/1047105121.db2.gz FBQNMRITRAGWDH-INIZCTEOSA-N 1 2 351.454 2.706 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2Cc2ccc(Cl)s2)CC1 ZINC001286469529 1047119459 /nfs/dbraw/zinc/11/94/59/1047119459.db2.gz IHCJXUXLJUZFGX-UHFFFAOYSA-N 1 2 363.918 2.920 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CCc2cccc(C)c2)CC1 ZINC001286470045 1047119613 /nfs/dbraw/zinc/11/96/13/1047119613.db2.gz RESSYDJDUVXMOQ-UHFFFAOYSA-N 1 2 351.498 2.708 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CC(C)(C)CCOC)CC1 ZINC001286471674 1047120947 /nfs/dbraw/zinc/12/09/47/1047120947.db2.gz MICXLGKDYHPGNG-KRWDZBQOSA-N 1 2 361.534 2.610 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)CCCCC1 ZINC001288988531 1047553165 /nfs/dbraw/zinc/55/31/65/1047553165.db2.gz HQKJIZVTEIUCLK-DLBZAZTESA-N 1 2 370.497 2.538 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H]1CC ZINC001290460777 1048142071 /nfs/dbraw/zinc/14/20/71/1048142071.db2.gz ZDZFSQPZIDWRCO-XYJFISCASA-N 1 2 370.497 2.519 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001291974556 1049030062 /nfs/dbraw/zinc/03/00/62/1049030062.db2.gz KDGYJHRZSPTREK-WCVJEAGWSA-N 1 2 358.486 2.538 20 30 FFEDLO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)O[C@H](C)C(=O)N(C)CCC#N)c1 ZINC001330155238 1049060277 /nfs/dbraw/zinc/06/02/77/1049060277.db2.gz GXAMAQFCJLVYBB-MJGOQNOKSA-N 1 2 371.481 2.653 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)O[C@H](C)C(=O)N(C)CCC#N)c1 ZINC001330155238 1049060284 /nfs/dbraw/zinc/06/02/84/1049060284.db2.gz GXAMAQFCJLVYBB-MJGOQNOKSA-N 1 2 371.481 2.653 20 30 FFEDLO C=CCn1c(N2CC[C@H](C3CCCCC3)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339857659 1050274702 /nfs/dbraw/zinc/27/47/02/1050274702.db2.gz XITZVTZUJAYIID-UEXGIBASSA-N 1 2 373.545 2.782 20 30 FFEDLO C=CCn1c(N2CC[C@H](C3CCCCC3)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339857659 1050274716 /nfs/dbraw/zinc/27/47/16/1050274716.db2.gz XITZVTZUJAYIID-UEXGIBASSA-N 1 2 373.545 2.782 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCc2ccsc2[C@@H]1C ZINC001339880721 1050298176 /nfs/dbraw/zinc/29/81/76/1050298176.db2.gz WQBSCIGZBXUCBG-ZDUSSCGKSA-N 1 2 354.483 2.974 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@H](C2CCC2)C1 ZINC001340206324 1050615278 /nfs/dbraw/zinc/61/52/78/1050615278.db2.gz YWVCTPHJHPJDIM-ZWKOTPCHSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@H](C2CCC2)C1 ZINC001340206324 1050615287 /nfs/dbraw/zinc/61/52/87/1050615287.db2.gz YWVCTPHJHPJDIM-ZWKOTPCHSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c(Cc2ccco2)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001340268273 1050672475 /nfs/dbraw/zinc/67/24/75/1050672475.db2.gz QICGDTJBTHTSIM-UHFFFAOYSA-N 1 2 364.453 2.672 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001342234115 1050824426 /nfs/dbraw/zinc/82/44/26/1050824426.db2.gz RHVIFHLVVUPCHH-QZTJIDSGSA-N 1 2 359.518 2.703 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1CC(=C)C ZINC001342246277 1050838035 /nfs/dbraw/zinc/83/80/35/1050838035.db2.gz ANASPMNNPQJQRP-QZTJIDSGSA-N 1 2 357.502 2.628 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1CC(=C)C ZINC001342246277 1050838044 /nfs/dbraw/zinc/83/80/44/1050838044.db2.gz ANASPMNNPQJQRP-QZTJIDSGSA-N 1 2 357.502 2.628 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC(CC)(CC)C1 ZINC001340450600 1050844348 /nfs/dbraw/zinc/84/43/48/1050844348.db2.gz QBBRLVTXCAEDEU-UHFFFAOYSA-N 1 2 361.534 2.685 20 30 FFEDLO C=CCN(c1nnc([C@H]2CCCOC2)n1Cc1c[nH+]ccc1OC)C1CC1 ZINC001301326984 1050869835 /nfs/dbraw/zinc/86/98/35/1050869835.db2.gz KFONJAMHDCKOFQ-HNNXBMFYSA-N 1 2 369.469 2.779 20 30 FFEDLO C=CCn1c(CC(C)(C)C=C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001340560082 1050947955 /nfs/dbraw/zinc/94/79/55/1050947955.db2.gz VYSYBZNSKICEHM-UHFFFAOYSA-N 1 2 370.501 2.837 20 30 FFEDLO O=C(NCC#C[C@H]1CCCCO1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001342583129 1051189377 /nfs/dbraw/zinc/18/93/77/1051189377.db2.gz JHFYPEYKUPWCHS-LJQANCHMSA-N 1 2 370.497 2.681 20 30 FFEDLO CN(CCCNC(=O)c1cccc(C#N)c1Br)c1cccc[nH+]1 ZINC001302976469 1051243990 /nfs/dbraw/zinc/24/39/90/1051243990.db2.gz SFZQUCJKYSGWHN-UHFFFAOYSA-N 1 2 373.254 2.972 20 30 FFEDLO N#Cc1cccnc1NCCNC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001542361903 1071218842 /nfs/dbraw/zinc/21/88/42/1071218842.db2.gz DANDSGHLDKVGLT-WOVMCDHWSA-N 1 2 364.453 2.547 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[C@@H]2C)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001342761846 1051377648 /nfs/dbraw/zinc/37/76/48/1051377648.db2.gz OSQCYTNOPZOXEX-WMZOPIPTSA-N 1 2 352.486 2.695 20 30 FFEDLO C=CCN(C)c1nnc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)n1Cc1ccccc1 ZINC001341115954 1051464438 /nfs/dbraw/zinc/46/44/38/1051464438.db2.gz ZTGCXTDAQDVNFM-RBUKOAKNSA-N 1 2 367.497 2.874 20 30 FFEDLO C=CCN(C)c1nnc([C@H]2C[N@H+]3CCCC[C@H]3CO2)n1Cc1ccccc1 ZINC001341115954 1051464442 /nfs/dbraw/zinc/46/44/42/1051464442.db2.gz ZTGCXTDAQDVNFM-RBUKOAKNSA-N 1 2 367.497 2.874 20 30 FFEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001303974867 1051489422 /nfs/dbraw/zinc/48/94/22/1051489422.db2.gz OHZZUPKYPWENKL-LBPRGKRZSA-N 1 2 356.854 2.624 20 30 FFEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001303974867 1051489426 /nfs/dbraw/zinc/48/94/26/1051489426.db2.gz OHZZUPKYPWENKL-LBPRGKRZSA-N 1 2 356.854 2.624 20 30 FFEDLO CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CCC#N)CCC(C)C ZINC001341211638 1051571383 /nfs/dbraw/zinc/57/13/83/1051571383.db2.gz XUDXKTYRHDYDHQ-QGZVFWFLSA-N 1 2 362.522 2.846 20 30 FFEDLO CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(CCC#N)CCC(C)C ZINC001341211638 1051571389 /nfs/dbraw/zinc/57/13/89/1051571389.db2.gz XUDXKTYRHDYDHQ-QGZVFWFLSA-N 1 2 362.522 2.846 20 30 FFEDLO C[C@@H](CC(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1)n1cccc1 ZINC001344936652 1052145201 /nfs/dbraw/zinc/14/52/01/1052145201.db2.gz MFQIQXYJBYIOEX-KRWDZBQOSA-N 1 2 372.490 2.928 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N(C)OC ZINC001343419707 1052219706 /nfs/dbraw/zinc/21/97/06/1052219706.db2.gz OSBIRQSOIDHXTE-UHFFFAOYSA-N 1 2 352.442 2.687 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1CC(C)C ZINC001343467299 1052249937 /nfs/dbraw/zinc/24/99/37/1052249937.db2.gz CWXMKDOSISMQBR-ROUUACIJSA-N 1 2 359.518 2.708 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1CC(C)C ZINC001343467299 1052249945 /nfs/dbraw/zinc/24/99/45/1052249945.db2.gz CWXMKDOSISMQBR-ROUUACIJSA-N 1 2 359.518 2.708 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)CC1CCCC1 ZINC001343580986 1052318601 /nfs/dbraw/zinc/31/86/01/1052318601.db2.gz KVYVWLVEKLEGOB-UHFFFAOYSA-N 1 2 361.534 2.685 20 30 FFEDLO C=C(C)Cn1c([C@@H](C)SC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001343760353 1052405526 /nfs/dbraw/zinc/40/55/26/1052405526.db2.gz OJVPPROSTDRMOP-OAHLLOKOSA-N 1 2 358.515 3.000 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@H+](Cc3cc(=O)oc4cc(O)ccc34)CCO2)cc1 ZINC001308113692 1052410431 /nfs/dbraw/zinc/41/04/31/1052410431.db2.gz GMHLJJICURIJCS-HXUWFJFHSA-N 1 2 362.385 2.944 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@@H+](Cc3cc(=O)oc4cc(O)ccc34)CCO2)cc1 ZINC001308113692 1052410435 /nfs/dbraw/zinc/41/04/35/1052410435.db2.gz GMHLJJICURIJCS-HXUWFJFHSA-N 1 2 362.385 2.944 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001343784423 1052418634 /nfs/dbraw/zinc/41/86/34/1052418634.db2.gz WWLUAXIRBSSQMB-ROUUACIJSA-N 1 2 372.517 2.766 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001343784423 1052418637 /nfs/dbraw/zinc/41/86/37/1052418637.db2.gz WWLUAXIRBSSQMB-ROUUACIJSA-N 1 2 372.517 2.766 20 30 FFEDLO COc1cc([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)ccc1S(C)(=O)=O ZINC001308168897 1052424019 /nfs/dbraw/zinc/42/40/19/1052424019.db2.gz VLNJKWVRJSGMJX-GFCCVEGCSA-N 1 2 362.426 2.960 20 30 FFEDLO CCCN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@@H]1CCCCO1 ZINC001345491922 1052472511 /nfs/dbraw/zinc/47/25/11/1052472511.db2.gz JCINHUFJDWJFRM-SFHVURJKSA-N 1 2 374.533 2.786 20 30 FFEDLO C=C1CCN(c2nnc([C@@H](CC(C)C)n3cc[nH+]c3)n2CCOC)CC1 ZINC001345576436 1052519415 /nfs/dbraw/zinc/51/94/15/1052519415.db2.gz NHHDGBAHZHHFNL-QGZVFWFLSA-N 1 2 358.490 2.913 20 30 FFEDLO CN(c1nnc([C@H]2CCCC[N@@H+]2C)n1C[C@H]1CCOC1)[C@@H]1CCC[C@@H]1C#N ZINC001344106407 1052599771 /nfs/dbraw/zinc/59/97/71/1052599771.db2.gz GMUNBPCKUHLZBH-BRSBDYLESA-N 1 2 372.517 2.600 20 30 FFEDLO CN(c1nnc([C@H]2CCCC[N@H+]2C)n1C[C@H]1CCOC1)[C@@H]1CCC[C@@H]1C#N ZINC001344106407 1052599778 /nfs/dbraw/zinc/59/97/78/1052599778.db2.gz GMUNBPCKUHLZBH-BRSBDYLESA-N 1 2 372.517 2.600 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2CCC[C@H](CC#N)C2)n1C[C@@H]1CCCCO1 ZINC001345792402 1052614007 /nfs/dbraw/zinc/61/40/07/1052614007.db2.gz KDLVAGZJCLECTR-FGTMMUONSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2CCC[C@H](CC#N)C2)n1C[C@@H]1CCCCO1 ZINC001345792402 1052614009 /nfs/dbraw/zinc/61/40/09/1052614009.db2.gz KDLVAGZJCLECTR-FGTMMUONSA-N 1 2 372.517 2.744 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc([C@@H]3CCC[N@H+]3C)n2Cc2cc(C)on2)C1 ZINC001346621374 1053163458 /nfs/dbraw/zinc/16/34/58/1053163458.db2.gz UZHBZFKBUYNBNC-WMZOPIPTSA-N 1 2 368.485 2.629 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2Cc2cc(C)on2)C1 ZINC001346621374 1053163461 /nfs/dbraw/zinc/16/34/61/1053163461.db2.gz UZHBZFKBUYNBNC-WMZOPIPTSA-N 1 2 368.485 2.629 20 30 FFEDLO CC(C)C[C@H](c1nnc(N2CC[C@](F)(C#N)C2)n1CC1CC1)n1cc[nH+]c1 ZINC001346850900 1053376364 /nfs/dbraw/zinc/37/63/64/1053376364.db2.gz PJVUWXCGXSPNLT-APWZRJJASA-N 1 2 371.464 2.962 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@H]3CCCC[N@H+]3C)n2C[C@@H]2CCCCO2)C1 ZINC001347214660 1053726785 /nfs/dbraw/zinc/72/67/85/1053726785.db2.gz YMUBLDFNGPLMNN-CEXWTWQISA-N 1 2 371.529 2.854 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2C[C@@H]2CCCCO2)C1 ZINC001347214660 1053726794 /nfs/dbraw/zinc/72/67/94/1053726794.db2.gz YMUBLDFNGPLMNN-CEXWTWQISA-N 1 2 371.529 2.854 20 30 FFEDLO N#Cc1cc(F)cc(C2(C(=O)N3CCC(Cc4c[nH]c[nH+]4)CC3)CC2)c1 ZINC001348022287 1054566557 /nfs/dbraw/zinc/56/65/57/1054566557.db2.gz DNCOXMYJIFDRKE-UHFFFAOYSA-N 1 2 352.413 2.933 20 30 FFEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001348105320 1054655330 /nfs/dbraw/zinc/65/53/30/1054655330.db2.gz SFOPQNJCICJAQH-ZWOKBUDYSA-N 1 2 358.486 2.545 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC2(CCSCC2)CC1 ZINC001352093082 1055187114 /nfs/dbraw/zinc/18/71/14/1055187114.db2.gz GNHYJMPHWRKUSN-UHFFFAOYSA-N 1 2 372.542 2.902 20 30 FFEDLO CN(C)c1[nH+]ccc2c1CN(c1ncc(Br)cc1C#N)CC2 ZINC001338238759 1055350499 /nfs/dbraw/zinc/35/04/99/1055350499.db2.gz ZOVNIOQIZXFUQC-UHFFFAOYSA-N 1 2 358.243 2.739 20 30 FFEDLO C#C[C@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC(=C)C)C1 ZINC001356210326 1055388349 /nfs/dbraw/zinc/38/83/49/1055388349.db2.gz JAWGFVNGKPRRMM-SFHVURJKSA-N 1 2 366.513 2.797 20 30 FFEDLO C=C(C)Cn1c([C@H](O)/C=C/CC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001356240244 1055413225 /nfs/dbraw/zinc/41/32/25/1055413225.db2.gz XBXXAMQWRIYYCV-ZGRWHYIRSA-N 1 2 368.485 2.575 20 30 FFEDLO O=C(/C=C/c1ccc(F)cc1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC001543871364 1071559213 /nfs/dbraw/zinc/55/92/13/1071559213.db2.gz KYDMRAWMVYHCTC-VMPITWQZSA-N 1 2 372.465 2.856 20 30 FFEDLO CCn1c([C@@H]2C[N@H+](Cc3ccccc3)CCO2)nnc1N(C)[C@H](C)CC#N ZINC001356489807 1055534685 /nfs/dbraw/zinc/53/46/85/1055534685.db2.gz LDYSZBYVIKAKRO-AEFFLSMTSA-N 1 2 368.485 2.610 20 30 FFEDLO CCn1c([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nnc1N(C)[C@H](C)CC#N ZINC001356489807 1055534710 /nfs/dbraw/zinc/53/47/10/1055534710.db2.gz LDYSZBYVIKAKRO-AEFFLSMTSA-N 1 2 368.485 2.610 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)C[C@H](C)C(C)(C)C ZINC001338834357 1055856335 /nfs/dbraw/zinc/85/63/35/1055856335.db2.gz LPLHISYLWDAESB-INIZCTEOSA-N 1 2 363.550 2.787 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001338913435 1055929550 /nfs/dbraw/zinc/92/95/50/1055929550.db2.gz SIFXNANXCCIBDJ-UHFFFAOYSA-N 1 2 366.465 2.883 20 30 FFEDLO CC(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(C#N)CC1 ZINC001357817892 1056023809 /nfs/dbraw/zinc/02/38/09/1056023809.db2.gz BPLKKBYNSFAYEL-QZTJIDSGSA-N 1 2 372.517 2.600 20 30 FFEDLO CC(C)Cn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(C#N)CC1 ZINC001357817892 1056023821 /nfs/dbraw/zinc/02/38/21/1056023821.db2.gz BPLKKBYNSFAYEL-QZTJIDSGSA-N 1 2 372.517 2.600 20 30 FFEDLO C=CCn1c([C@H](C)SC)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001339040892 1056038989 /nfs/dbraw/zinc/03/89/89/1056038989.db2.gz TYSBKWDDNQWLQO-HNNXBMFYSA-N 1 2 358.515 2.605 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001339367916 1056380389 /nfs/dbraw/zinc/38/03/89/1056380389.db2.gz MKERBPKNLUXJPB-HUUCEWRRSA-N 1 2 362.547 2.721 20 30 FFEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Nc2nn(C)cc2C#N)c(C)c1 ZINC000611007095 1056442885 /nfs/dbraw/zinc/44/28/85/1056442885.db2.gz DQJUHJVNFKFBDQ-KRWDZBQOSA-N 1 2 363.425 2.668 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(CCF)CC1 ZINC001339485905 1056502156 /nfs/dbraw/zinc/50/21/56/1056502156.db2.gz NVJLYKMBUNRBIS-KRWDZBQOSA-N 1 2 365.497 2.822 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(CCF)CC1 ZINC001339485905 1056502169 /nfs/dbraw/zinc/50/21/69/1056502169.db2.gz NVJLYKMBUNRBIS-KRWDZBQOSA-N 1 2 365.497 2.822 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@]2(C)CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001358855968 1056503927 /nfs/dbraw/zinc/50/39/27/1056503927.db2.gz UAQINAHACMYXIC-QINHECLXSA-N 1 2 370.497 2.614 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@]2(C)CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001358855968 1056503939 /nfs/dbraw/zinc/50/39/39/1056503939.db2.gz UAQINAHACMYXIC-QINHECLXSA-N 1 2 370.497 2.614 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001358881881 1056579153 /nfs/dbraw/zinc/57/91/53/1056579153.db2.gz OOTVRWUOHOTBBM-MRXNPFEDSA-N 1 2 360.465 2.912 20 30 FFEDLO C#CCN(CC#CC)c1nnc(C(C)C)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001358985188 1056635327 /nfs/dbraw/zinc/63/53/27/1056635327.db2.gz RPMJKLZXQRMRBD-SFHVURJKSA-N 1 2 364.497 2.947 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CCCC=C)CC1 ZINC001359031676 1056665488 /nfs/dbraw/zinc/66/54/88/1056665488.db2.gz LMJVSGIODWWGFE-UHFFFAOYSA-N 1 2 365.481 2.675 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CCO[C@H]2CCCC[C@H]2C)CC1 ZINC001359034962 1056667144 /nfs/dbraw/zinc/66/71/44/1056667144.db2.gz HSCQCJLZBXZKSE-MJGOQNOKSA-N 1 2 371.529 2.506 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)CC=C)CC1 ZINC001359033573 1056667429 /nfs/dbraw/zinc/66/74/29/1056667429.db2.gz HMOFITJEFBUHIV-UHFFFAOYSA-N 1 2 366.513 2.641 20 30 FFEDLO C=CCN(C)c1nnc(C(C)C)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001359231470 1056845922 /nfs/dbraw/zinc/84/59/22/1056845922.db2.gz XFPNWLDMRMXLRQ-IBGZPJMESA-N 1 2 369.513 2.925 20 30 FFEDLO C=CCN(C)c1nnc(C(C)C)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001359231470 1056845929 /nfs/dbraw/zinc/84/59/29/1056845929.db2.gz XFPNWLDMRMXLRQ-IBGZPJMESA-N 1 2 369.513 2.925 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3CCCC[N@H+]3C)n2C[C@H]2CCCO2)C1 ZINC001518115126 1058269118 /nfs/dbraw/zinc/26/91/18/1058269118.db2.gz FAOPEOKNANJTAB-GUDVDZBRSA-N 1 2 371.529 2.854 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2C[C@H]2CCCO2)C1 ZINC001518115126 1058269138 /nfs/dbraw/zinc/26/91/38/1058269138.db2.gz FAOPEOKNANJTAB-GUDVDZBRSA-N 1 2 371.529 2.854 20 30 FFEDLO COCCN(CCC#N)c1nnc([C@H]2CCC[N@@H+]2C)n1Cc1cccs1 ZINC001518629128 1058446142 /nfs/dbraw/zinc/44/61/42/1058446142.db2.gz GTZNYUPSMNNYMM-MRXNPFEDSA-N 1 2 374.514 2.521 20 30 FFEDLO COCCN(CCC#N)c1nnc([C@H]2CCC[N@H+]2C)n1Cc1cccs1 ZINC001518629128 1058446149 /nfs/dbraw/zinc/44/61/49/1058446149.db2.gz GTZNYUPSMNNYMM-MRXNPFEDSA-N 1 2 374.514 2.521 20 30 FFEDLO C=C(C)CCC(=O)N1CCCC[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001500615087 1058531119 /nfs/dbraw/zinc/53/11/19/1058531119.db2.gz BRLLJPBTBSYISV-GVDBMIGSSA-N 1 2 358.486 2.757 20 30 FFEDLO C=C(C)CCC(=O)N1CCCC[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001500615087 1058531140 /nfs/dbraw/zinc/53/11/40/1058531140.db2.gz BRLLJPBTBSYISV-GVDBMIGSSA-N 1 2 358.486 2.757 20 30 FFEDLO C=CCC[C@@H](NC(=O)c1c[nH+]ccc1Nc1ccccc1)C(=O)OCC ZINC001449726332 1058935975 /nfs/dbraw/zinc/93/59/75/1058935975.db2.gz LAZYKZANFGHTOY-GOSISDBHSA-N 1 2 353.422 2.875 20 30 FFEDLO COCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H](C)CC1 ZINC001514679411 1059051970 /nfs/dbraw/zinc/05/19/70/1059051970.db2.gz DIQNINBLJIDXPI-QGZVFWFLSA-N 1 2 374.533 2.644 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CC(CC)(CC)OC)CC1 ZINC001300697337 1059387283 /nfs/dbraw/zinc/38/72/83/1059387283.db2.gz AMQGISMZLSUATI-UHFFFAOYSA-N 1 2 359.518 2.506 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2CC2(COC)CCC2)CC1 ZINC001300697691 1059390604 /nfs/dbraw/zinc/39/06/04/1059390604.db2.gz HLLGGPPPMUWQDH-UHFFFAOYSA-N 1 2 371.529 2.508 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001505775824 1059402924 /nfs/dbraw/zinc/40/29/24/1059402924.db2.gz FLXYDTMQXVKMTJ-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001505775824 1059402942 /nfs/dbraw/zinc/40/29/42/1059402942.db2.gz FLXYDTMQXVKMTJ-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC001506126468 1059440594 /nfs/dbraw/zinc/44/05/94/1059440594.db2.gz UHFZNQVOHZUPQP-LEWJYISDSA-N 1 2 362.473 2.520 20 30 FFEDLO Cc1nc(C[NH+]2CCC(C(=O)OCC#Cc3ccccn3)CC2)cs1 ZINC001515272035 1059483117 /nfs/dbraw/zinc/48/31/17/1059483117.db2.gz VRURBJKVFKCNEG-UHFFFAOYSA-N 1 2 355.463 2.653 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C/C=C\CC)CC1 ZINC001507724355 1059702003 /nfs/dbraw/zinc/70/20/03/1059702003.db2.gz NOFIISKXXSBCGP-TWGQIWQCSA-N 1 2 363.509 2.899 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2CCc2ccc(F)cc2)CC1 ZINC001507730919 1059703500 /nfs/dbraw/zinc/70/35/00/1059703500.db2.gz ZASHSSNPJUWZFM-UHFFFAOYSA-N 1 2 369.488 2.614 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCc2cccc(C)c2)CC1 ZINC001507725539 1059703542 /nfs/dbraw/zinc/70/35/42/1059703542.db2.gz XEJQOIHKYUGSKD-UHFFFAOYSA-N 1 2 374.492 2.580 20 30 FFEDLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001355035171 1059803474 /nfs/dbraw/zinc/80/34/74/1059803474.db2.gz KSLPNEXTJWLNKY-AWEZNQCLSA-N 1 2 368.824 2.637 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(Br)c(CC)s2)C1 ZINC001455701082 1059876739 /nfs/dbraw/zinc/87/67/39/1059876739.db2.gz AXEIRJXEZQYDDM-LLVKDONJSA-N 1 2 355.301 2.900 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)c(CC)s2)C1 ZINC001455701082 1059876764 /nfs/dbraw/zinc/87/67/64/1059876764.db2.gz AXEIRJXEZQYDDM-LLVKDONJSA-N 1 2 355.301 2.900 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)n2CC(=C)C)C1 ZINC001516031272 1059934783 /nfs/dbraw/zinc/93/47/83/1059934783.db2.gz CPJFOEPOOHYHKB-GUDVDZBRSA-N 1 2 369.513 2.630 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)n2CC(=C)C)C1 ZINC001516031272 1059934800 /nfs/dbraw/zinc/93/48/00/1059934800.db2.gz CPJFOEPOOHYHKB-GUDVDZBRSA-N 1 2 369.513 2.630 20 30 FFEDLO CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 ZINC001520841176 1060131697 /nfs/dbraw/zinc/13/16/97/1060131697.db2.gz MJZXGBDTHUEXTH-BEFAXECRSA-N 1 2 356.449 2.933 20 30 FFEDLO CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 ZINC001520841176 1060131705 /nfs/dbraw/zinc/13/17/05/1060131705.db2.gz MJZXGBDTHUEXTH-BEFAXECRSA-N 1 2 356.449 2.933 20 30 FFEDLO C#C[C@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2C[C@H]2CCCCO2)C1 ZINC001516865016 1060255223 /nfs/dbraw/zinc/25/52/23/1060255223.db2.gz DYSDUUMEFQWPJK-RBUKOAKNSA-N 1 2 371.529 2.683 20 30 FFEDLO Cc1cc(NCCNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)nc(C(C)C)[nH+]1 ZINC000600367221 1060316488 /nfs/dbraw/zinc/31/64/88/1060316488.db2.gz PZJBZADBMVXVHI-OAHLLOKOSA-N 1 2 367.453 2.776 20 30 FFEDLO Cn1c([C@H]2CCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001355564360 1060365348 /nfs/dbraw/zinc/36/53/48/1060365348.db2.gz DDXSWBRTUNJRDE-ZWKOTPCHSA-N 1 2 350.470 2.892 20 30 FFEDLO Cn1c([C@H]2CCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001355564360 1060365370 /nfs/dbraw/zinc/36/53/70/1060365370.db2.gz DDXSWBRTUNJRDE-ZWKOTPCHSA-N 1 2 350.470 2.892 20 30 FFEDLO Cn1cc[nH+]c1CCC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC001521397932 1060574816 /nfs/dbraw/zinc/57/48/16/1060574816.db2.gz DUUFRHSUTQEURZ-UHFFFAOYSA-N 1 2 365.437 2.574 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@H]1CC1CCCC1 ZINC001355919428 1060726755 /nfs/dbraw/zinc/72/67/55/1060726755.db2.gz JFWPBPWNLQGMME-BZSNNMDCSA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@H]1CC1CCCC1 ZINC001355919428 1060726765 /nfs/dbraw/zinc/72/67/65/1060726765.db2.gz JFWPBPWNLQGMME-BZSNNMDCSA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@H]1c1ccc(C)cc1 ZINC001355920663 1060728914 /nfs/dbraw/zinc/72/89/14/1060728914.db2.gz VAYWSSYZVVSZEP-QYZOEREBSA-N 1 2 367.497 2.852 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@H]1c1ccc(C)cc1 ZINC001355920663 1060728921 /nfs/dbraw/zinc/72/89/21/1060728921.db2.gz VAYWSSYZVVSZEP-QYZOEREBSA-N 1 2 367.497 2.852 20 30 FFEDLO C[C@@H](C#N)N(C)C(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001460493393 1061003609 /nfs/dbraw/zinc/00/36/09/1061003609.db2.gz BQOFCMPMWDSLQJ-SWLSCSKDSA-N 1 2 350.260 2.956 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](c2cnccn2)C1 ZINC001460857017 1061129886 /nfs/dbraw/zinc/12/98/86/1061129886.db2.gz KGTWUZXURHSIPV-CHWSQXEVSA-N 1 2 367.478 2.715 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](c2cnccn2)C1 ZINC001460857017 1061129893 /nfs/dbraw/zinc/12/98/93/1061129893.db2.gz KGTWUZXURHSIPV-CHWSQXEVSA-N 1 2 367.478 2.715 20 30 FFEDLO CC(C)(C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCNc1cccc[nH+]1 ZINC001359506006 1061288462 /nfs/dbraw/zinc/28/84/62/1061288462.db2.gz WVWLMWBYKLETBL-IBGZPJMESA-N 1 2 371.464 2.915 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001521949429 1061316104 /nfs/dbraw/zinc/31/61/04/1061316104.db2.gz GGXSTWZBQDOFRU-ZOCZFRKYSA-N 1 2 368.481 2.761 20 30 FFEDLO CC(F)(F)CCC(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001526992895 1061349921 /nfs/dbraw/zinc/34/99/21/1061349921.db2.gz OVUKZEMTVHTNMO-UHFFFAOYSA-N 1 2 357.422 2.910 20 30 FFEDLO CCn1c[nH+]cc1COC(=O)COc1ccc(C#N)c(Br)c1 ZINC001527011839 1061357316 /nfs/dbraw/zinc/35/73/16/1061357316.db2.gz MBOIBPLGILHCGF-UHFFFAOYSA-N 1 2 364.199 2.659 20 30 FFEDLO C#CC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1)C(=O)OC ZINC001462332301 1061584319 /nfs/dbraw/zinc/58/43/19/1061584319.db2.gz IPWGTFPZCOFNGL-CABCVRRESA-N 1 2 352.475 2.567 20 30 FFEDLO CC#CC[C@@H](CO)[NH2+]Cc1nc(N(C)C)n(-c2ccc(C)cc2)c1Cl ZINC001462392607 1061604842 /nfs/dbraw/zinc/60/48/42/1061604842.db2.gz OPTZQKQZAONGEW-HNNXBMFYSA-N 1 2 360.889 2.764 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC001528255454 1061829869 /nfs/dbraw/zinc/82/98/69/1061829869.db2.gz UVFIEBPCPXMGIS-RDTXWAMCSA-N 1 2 366.456 2.517 20 30 FFEDLO N#Cc1c(Br)cccc1OCC(=O)Nc1cccc2[nH+]ccn21 ZINC001531284121 1062736812 /nfs/dbraw/zinc/73/68/12/1062736812.db2.gz FXUVEHIIUFIJIV-UHFFFAOYSA-N 1 2 371.194 2.986 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)cs2)[C@H]1C ZINC001479706986 1062849724 /nfs/dbraw/zinc/84/97/24/1062849724.db2.gz YTLKJYMCRSDXIK-CVEARBPZSA-N 1 2 363.527 2.674 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C)cs2)[C@H]1C ZINC001479706986 1062849746 /nfs/dbraw/zinc/84/97/46/1062849746.db2.gz YTLKJYMCRSDXIK-CVEARBPZSA-N 1 2 363.527 2.674 20 30 FFEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1ccon1 ZINC001525012544 1063096256 /nfs/dbraw/zinc/09/62/56/1063096256.db2.gz CKUIQTJZXJJMPE-UHFFFAOYSA-N 1 2 371.489 2.652 20 30 FFEDLO CC[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001495087500 1063440819 /nfs/dbraw/zinc/44/08/19/1063440819.db2.gz IGOSQNPRGHPXER-CABCVRRESA-N 1 2 355.490 2.897 20 30 FFEDLO C=CCC(CC=C)C(=O)NC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001525928436 1063465037 /nfs/dbraw/zinc/46/50/37/1063465037.db2.gz MCXKGNLMHKTTFH-KBAYOESNSA-N 1 2 370.497 2.636 20 30 FFEDLO C=CCC(CC=C)C(=O)NC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001525928436 1063465047 /nfs/dbraw/zinc/46/50/47/1063465047.db2.gz MCXKGNLMHKTTFH-KBAYOESNSA-N 1 2 370.497 2.636 20 30 FFEDLO C=C(C)CC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)[C@H]2CC[C@@H](F)C2)CC1 ZINC001575048535 1078100653 /nfs/dbraw/zinc/10/06/53/1078100653.db2.gz DZZIDKWSNPJOEP-JKSUJKDBSA-N 1 2 363.481 2.702 20 30 FFEDLO C=C(Cl)C[NH+]1CCC(N(Cc2cn[nH]n2)C(=O)/C=C\C(C)(C)C)CC1 ZINC001575058779 1078101903 /nfs/dbraw/zinc/10/19/03/1078101903.db2.gz FRRHDXSEQQMTJY-YVMONPNESA-N 1 2 365.909 2.953 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCc2cnn[nH]2)CC1 ZINC001575073820 1078102993 /nfs/dbraw/zinc/10/29/93/1078102993.db2.gz RRKXNFLLTOBQOJ-AZUAARDMSA-N 1 2 359.518 2.653 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CCC([C@@H]2CCC[N@H+]2CCc2cnn[nH]2)CC1 ZINC001575073820 1078102995 /nfs/dbraw/zinc/10/29/95/1078102995.db2.gz RRKXNFLLTOBQOJ-AZUAARDMSA-N 1 2 359.518 2.653 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001471832297 1064812279 /nfs/dbraw/zinc/81/22/79/1064812279.db2.gz BYJWRHPXYBKGFD-HXUWFJFHSA-N 1 2 352.478 2.742 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001471832297 1064812295 /nfs/dbraw/zinc/81/22/95/1064812295.db2.gz BYJWRHPXYBKGFD-HXUWFJFHSA-N 1 2 352.478 2.742 20 30 FFEDLO COc1cccc(CN2CC[NH+](CCOc3ccccc3C#N)CC2)c1 ZINC001473728250 1065335641 /nfs/dbraw/zinc/33/56/41/1065335641.db2.gz ONGVNVJSPAXMML-UHFFFAOYSA-N 1 2 351.450 2.763 20 30 FFEDLO N#Cc1cc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cs1 ZINC001560460385 1076274540 /nfs/dbraw/zinc/27/45/40/1076274540.db2.gz XRXFFIQXQQGQHE-CYBMUJFWSA-N 1 2 350.241 2.698 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2cccc3nsnc32)C1 ZINC001560739685 1076295635 /nfs/dbraw/zinc/29/56/35/1076295635.db2.gz QVFNXWRAQDOQRY-TZMCWYRMSA-N 1 2 359.455 2.540 20 30 FFEDLO COC(=O)c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccc(F)c1C#N)C(=O)N2 ZINC001561022639 1076320975 /nfs/dbraw/zinc/32/09/75/1076320975.db2.gz VFFGIWLVWFVMJV-GOSISDBHSA-N 1 2 367.380 2.527 20 30 FFEDLO N#CCc1ccc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC001561225403 1076348803 /nfs/dbraw/zinc/34/88/03/1076348803.db2.gz NEJDEGGNLOBCAQ-AWEZNQCLSA-N 1 2 364.858 2.628 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1c1ccccc1 ZINC001565882852 1076777607 /nfs/dbraw/zinc/77/76/07/1076777607.db2.gz ORVWEVPKGOAJSF-ZWKOTPCHSA-N 1 2 356.495 2.979 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1c1ccccc1 ZINC001565882852 1076777612 /nfs/dbraw/zinc/77/76/12/1076777612.db2.gz ORVWEVPKGOAJSF-ZWKOTPCHSA-N 1 2 356.495 2.979 20 30 FFEDLO C[C@@H]1CCN(C(=O)C#CC(C)(C)C)[C@H](C[NH2+]Cc2nc(C(F)F)no2)C1 ZINC001565964275 1076816037 /nfs/dbraw/zinc/81/60/37/1076816037.db2.gz NVDABSIDUWJSDE-OLZOCXBDSA-N 1 2 368.428 2.773 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H](C)C#N)CC[N@@H+]1Cc1nnc(-c2ccc(C)cc2)o1 ZINC001566009401 1076843489 /nfs/dbraw/zinc/84/34/89/1076843489.db2.gz KBSUJYLVGULMEJ-HYVNUMGLSA-N 1 2 367.453 2.674 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H](C)C#N)CC[N@H+]1Cc1nnc(-c2ccc(C)cc2)o1 ZINC001566009401 1076843492 /nfs/dbraw/zinc/84/34/92/1076843492.db2.gz KBSUJYLVGULMEJ-HYVNUMGLSA-N 1 2 367.453 2.674 20 30 FFEDLO C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001570722649 1077225043 /nfs/dbraw/zinc/22/50/43/1077225043.db2.gz ZBOXPVUVFBDARM-DJKXOVBDSA-N 1 2 359.445 2.593 20 30 FFEDLO C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001570722649 1077225045 /nfs/dbraw/zinc/22/50/45/1077225045.db2.gz ZBOXPVUVFBDARM-DJKXOVBDSA-N 1 2 359.445 2.593 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001572166711 1077306650 /nfs/dbraw/zinc/30/66/50/1077306650.db2.gz CDIDAMYXJJDFNJ-DJIMGWMZSA-N 1 2 358.486 2.565 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001572166711 1077306654 /nfs/dbraw/zinc/30/66/54/1077306654.db2.gz CDIDAMYXJJDFNJ-DJIMGWMZSA-N 1 2 358.486 2.565 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC001573059014 1077498918 /nfs/dbraw/zinc/49/89/18/1077498918.db2.gz QMKOVWCCKOVQSD-LZLYRXPVSA-N 1 2 366.465 2.610 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001573892330 1077837381 /nfs/dbraw/zinc/83/73/81/1077837381.db2.gz ZHQMACFZOVOCNA-BRWVUGGUSA-N 1 2 368.481 2.761 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001574008904 1077870888 /nfs/dbraw/zinc/87/08/88/1077870888.db2.gz MVCYOPOMIUOVLB-HZPDHXFCSA-N 1 2 366.465 2.581 20 30 FFEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1N(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001574086023 1077893700 /nfs/dbraw/zinc/89/37/00/1077893700.db2.gz NNLTUSBFOMHIQQ-QLVMHMETSA-N 1 2 370.497 2.683 20 30 FFEDLO Cc1nc(SCC(=O)N2CCc3cc[nH+]c(N)c3C2)c(C#N)c(C)c1C ZINC001586737377 1079677711 /nfs/dbraw/zinc/67/77/11/1079677711.db2.gz GLKSFHNEBSCRLJ-UHFFFAOYSA-N 1 2 367.478 2.533 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CCCNc1cccc[nH+]1 ZINC001587632698 1079831783 /nfs/dbraw/zinc/83/17/83/1079831783.db2.gz OIIUUJXDDOXLEX-SJORKVTESA-N 1 2 368.485 2.527 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCCC(C)(C)C)CC1 ZINC001588800193 1080201935 /nfs/dbraw/zinc/20/19/35/1080201935.db2.gz AIRUEGLAQNYDCN-UHFFFAOYSA-N 1 2 354.502 2.855 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2CCC(C)(F)F)CC1 ZINC001588811508 1080205032 /nfs/dbraw/zinc/20/50/32/1080205032.db2.gz KXNHAQFLLLTGJB-UHFFFAOYSA-N 1 2 351.445 2.736 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@](O)(C(F)(F)F)CC3)o2)cc1 ZINC000285697348 257000149 /nfs/dbraw/zinc/00/01/49/257000149.db2.gz VSHOSOWCOYWBAA-MRXNPFEDSA-N 1 2 366.343 2.888 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@](O)(C(F)(F)F)CC3)o2)cc1 ZINC000285697348 257000150 /nfs/dbraw/zinc/00/01/50/257000150.db2.gz VSHOSOWCOYWBAA-MRXNPFEDSA-N 1 2 366.343 2.888 20 30 FFEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)NCc3cccs3)CC2)c1 ZINC000104714944 250184205 /nfs/dbraw/zinc/18/42/05/250184205.db2.gz JXKWRTBPYHSJRM-UHFFFAOYSA-N 1 2 355.463 2.779 20 30 FFEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(N3CCCCC3=O)CC2)cc1Cl ZINC000153095961 251101682 /nfs/dbraw/zinc/10/16/82/251101682.db2.gz ZGXAPAYMRDNARK-UHFFFAOYSA-N 1 2 374.872 2.627 20 30 FFEDLO CC(C)(CNC(=O)CSc1ccc(C#N)cc1Cl)[NH+]1CCOCC1 ZINC000163296974 251183313 /nfs/dbraw/zinc/18/33/13/251183313.db2.gz JORHZYKXJDGJFT-UHFFFAOYSA-N 1 2 367.902 2.531 20 30 FFEDLO Cn1cc(C[NH+]2CCN(Cc3ccco3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000272338289 252014857 /nfs/dbraw/zinc/01/48/57/252014857.db2.gz YAXYPKVKVQHFCF-UHFFFAOYSA-N 1 2 361.449 2.870 20 30 FFEDLO Cn1cc(CN2CC[NH+](Cc3ccco3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000272338289 252014861 /nfs/dbraw/zinc/01/48/61/252014861.db2.gz YAXYPKVKVQHFCF-UHFFFAOYSA-N 1 2 361.449 2.870 20 30 FFEDLO CC[C@H]1C[C@@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000272746374 252120003 /nfs/dbraw/zinc/12/00/03/252120003.db2.gz NLYOSUSEDKVBMR-PMACEKPBSA-N 1 2 355.482 2.798 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCc4cccnc43)CC2)cc1 ZINC000277964298 256261350 /nfs/dbraw/zinc/26/13/50/256261350.db2.gz KXBSUKQJVSZCRW-FQEVSTJZSA-N 1 2 360.461 2.718 20 30 FFEDLO CCn1nccc1C1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000278922459 256362504 /nfs/dbraw/zinc/36/25/04/256362504.db2.gz RTUCZPOBLSVZIL-QGZVFWFLSA-N 1 2 369.494 2.821 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000280970116 256590190 /nfs/dbraw/zinc/59/01/90/256590190.db2.gz KLCINZYBRXFPQN-GOSISDBHSA-N 1 2 372.494 2.776 20 30 FFEDLO COCCOC[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287752672 257109290 /nfs/dbraw/zinc/10/92/90/257109290.db2.gz LSGVKNZBGKBBDN-ZDUSSCGKSA-N 1 2 353.260 2.806 20 30 FFEDLO COCCOC[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287752672 257109292 /nfs/dbraw/zinc/10/92/92/257109292.db2.gz LSGVKNZBGKBBDN-ZDUSSCGKSA-N 1 2 353.260 2.806 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](C)c1cccc(O)c1 ZINC000290187898 257319482 /nfs/dbraw/zinc/31/94/82/257319482.db2.gz FTJJSCCBGIGGEG-CQSZACIVSA-N 1 2 359.451 2.516 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](C)c1cccc(O)c1 ZINC000290187898 257319483 /nfs/dbraw/zinc/31/94/83/257319483.db2.gz FTJJSCCBGIGGEG-CQSZACIVSA-N 1 2 359.451 2.516 20 30 FFEDLO CC(C)(CNc1cccc(Br)c1C#N)[NH+]1CCS(=O)CC1 ZINC000290808662 257358959 /nfs/dbraw/zinc/35/89/59/257358959.db2.gz QUYYLWIPVBYHKP-UHFFFAOYSA-N 1 2 370.316 2.576 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000291355733 257399716 /nfs/dbraw/zinc/39/97/16/257399716.db2.gz SARXZDFQRALOIQ-MRXNPFEDSA-N 1 2 369.400 2.606 20 30 FFEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000301181534 258032041 /nfs/dbraw/zinc/03/20/41/258032041.db2.gz PADYTOYIAZGGMP-ZDUSSCGKSA-N 1 2 368.403 2.614 20 30 FFEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@]2(CCCOC2)O1 ZINC000330102261 258155265 /nfs/dbraw/zinc/15/52/65/258155265.db2.gz GAVZLKBTFOHVDA-UGSOOPFHSA-N 1 2 352.381 2.930 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@]2(CCCOC2)O1 ZINC000330102261 258155266 /nfs/dbraw/zinc/15/52/66/258155266.db2.gz GAVZLKBTFOHVDA-UGSOOPFHSA-N 1 2 352.381 2.930 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc4c(c3)COC4)CC2)cc1 ZINC000329094182 258129277 /nfs/dbraw/zinc/12/92/77/258129277.db2.gz XNGXBDGEYKEKFW-UHFFFAOYSA-N 1 2 362.433 2.938 20 30 FFEDLO C[C@H]1CCCC[C@@H]1OCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000332015150 258210334 /nfs/dbraw/zinc/21/03/34/258210334.db2.gz OYEOWNIVWVPIAZ-PXNSSMCTSA-N 1 2 355.482 2.798 20 30 FFEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC(=O)[C@@H](C)C3)sc2C1 ZINC000333122243 258251375 /nfs/dbraw/zinc/25/13/75/258251375.db2.gz IIVVTARTAPNRFE-STQMWFEESA-N 1 2 359.495 2.984 20 30 FFEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC(=O)[C@@H](C)C3)sc2C1 ZINC000333122243 258251376 /nfs/dbraw/zinc/25/13/76/258251376.db2.gz IIVVTARTAPNRFE-STQMWFEESA-N 1 2 359.495 2.984 20 30 FFEDLO COc1ccc(C#N)cc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000331699544 258196967 /nfs/dbraw/zinc/19/69/67/258196967.db2.gz WOLLKFDBRPKLNF-OAHLLOKOSA-N 1 2 353.426 2.787 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)Cc1ccc(C)o1 ZINC000052712117 506236214 /nfs/dbraw/zinc/23/62/14/506236214.db2.gz ZZHMKTZBDPMDSK-UHFFFAOYSA-N 1 2 372.469 2.985 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)Cc1ccc(C)o1 ZINC000052712117 506236222 /nfs/dbraw/zinc/23/62/22/506236222.db2.gz ZZHMKTZBDPMDSK-UHFFFAOYSA-N 1 2 372.469 2.985 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)Nc1cccc(C#N)c1C ZINC000366805294 512193716 /nfs/dbraw/zinc/19/37/16/512193716.db2.gz ULKGYTJWCBAYDJ-QGZVFWFLSA-N 1 2 365.437 2.775 20 30 FFEDLO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1F ZINC000065949529 506399069 /nfs/dbraw/zinc/39/90/69/506399069.db2.gz CIWSQKJJKXFMRM-UHFFFAOYSA-N 1 2 363.396 2.954 20 30 FFEDLO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1F ZINC000065949529 506399076 /nfs/dbraw/zinc/39/90/76/506399076.db2.gz CIWSQKJJKXFMRM-UHFFFAOYSA-N 1 2 363.396 2.954 20 30 FFEDLO C=CCCO[C@H](C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000066320335 506479924 /nfs/dbraw/zinc/47/99/24/506479924.db2.gz WVXPKNPXEKQKJT-LLVKDONJSA-N 1 2 352.232 2.694 20 30 FFEDLO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000066474012 506529481 /nfs/dbraw/zinc/52/94/81/506529481.db2.gz OFNFLPRSNCAGCU-ZFWWWQNUSA-N 1 2 362.499 2.575 20 30 FFEDLO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000066474012 506529490 /nfs/dbraw/zinc/52/94/90/506529490.db2.gz OFNFLPRSNCAGCU-ZFWWWQNUSA-N 1 2 362.499 2.575 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000055086403 506673771 /nfs/dbraw/zinc/67/37/71/506673771.db2.gz FDDOYUVIQRGDPE-UHFFFAOYSA-N 1 2 367.453 2.909 20 30 FFEDLO N#CC1(NC(=O)C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)CCCCC1 ZINC000055121130 506683181 /nfs/dbraw/zinc/68/31/81/506683181.db2.gz AGQHKFOTJGAFCT-UHFFFAOYSA-N 1 2 372.488 2.676 20 30 FFEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)CCCCC1 ZINC000055121130 506683186 /nfs/dbraw/zinc/68/31/86/506683186.db2.gz AGQHKFOTJGAFCT-UHFFFAOYSA-N 1 2 372.488 2.676 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000410564016 512294913 /nfs/dbraw/zinc/29/49/13/512294913.db2.gz ULGRIQXREFMEHQ-IBGZPJMESA-N 1 2 371.481 2.656 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000410563613 512295294 /nfs/dbraw/zinc/29/52/94/512295294.db2.gz QTXDIBKIPHUIPX-PKOBYXMFSA-N 1 2 372.513 2.888 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000067227942 506798591 /nfs/dbraw/zinc/79/85/91/506798591.db2.gz FREMLTHXPXWNNG-FPOVZHCZSA-N 1 2 370.424 2.705 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000067227942 506798597 /nfs/dbraw/zinc/79/85/97/506798597.db2.gz FREMLTHXPXWNNG-FPOVZHCZSA-N 1 2 370.424 2.705 20 30 FFEDLO N#Cc1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000045030266 506907941 /nfs/dbraw/zinc/90/79/41/506907941.db2.gz MREAZALIFOACJI-LJQANCHMSA-N 1 2 350.422 2.753 20 30 FFEDLO CCOc1ccc(C#N)cc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000056801811 507096585 /nfs/dbraw/zinc/09/65/85/507096585.db2.gz WVSXDIUCIXHRIF-UHFFFAOYSA-N 1 2 351.410 2.706 20 30 FFEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000017843017 507129605 /nfs/dbraw/zinc/12/96/05/507129605.db2.gz XZRYAYYHQDTMAX-UHFFFAOYSA-N 1 2 364.405 2.733 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)COc1ccccc1C#N)c1cccc(F)c1 ZINC000018236106 507146682 /nfs/dbraw/zinc/14/66/82/507146682.db2.gz SZYCZSIICIRKER-LJQANCHMSA-N 1 2 364.380 2.715 20 30 FFEDLO C[C@@H]1Cc2ccccc2N1C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781824 507309039 /nfs/dbraw/zinc/30/90/39/507309039.db2.gz KVHGPJLMQFTOCT-GOSISDBHSA-N 1 2 374.488 2.654 20 30 FFEDLO C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H]1C ZINC000023257781 507343275 /nfs/dbraw/zinc/34/32/75/507343275.db2.gz ULMYJDMLCQFVRG-DBXWQHBBSA-N 1 2 368.525 2.617 20 30 FFEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)c1 ZINC000069025290 507382472 /nfs/dbraw/zinc/38/24/72/507382472.db2.gz VWEKBOFOADDGDL-UHFFFAOYSA-N 1 2 371.387 2.673 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047745309 507388021 /nfs/dbraw/zinc/38/80/21/507388021.db2.gz SWCRXXDGHGMMPR-MRXNPFEDSA-N 1 2 360.458 2.530 20 30 FFEDLO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000048041499 507438877 /nfs/dbraw/zinc/43/88/77/507438877.db2.gz VQKPKQQRCQTXIS-MRXNPFEDSA-N 1 2 358.461 2.610 20 30 FFEDLO N#CCOc1ccc(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000069287205 507457240 /nfs/dbraw/zinc/45/72/40/507457240.db2.gz FJYULNACELSLJL-UHFFFAOYSA-N 1 2 361.405 2.774 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](CC(=O)Nc3cccc4ccccc43)CC2)nc1 ZINC000060481865 507550592 /nfs/dbraw/zinc/55/05/92/507550592.db2.gz QHXNUWNLYYOZMV-UHFFFAOYSA-N 1 2 371.444 2.867 20 30 FFEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000026199003 507565350 /nfs/dbraw/zinc/56/53/50/507565350.db2.gz XEXFFNUHCBERNW-WMLDXEAASA-N 1 2 368.399 2.672 20 30 FFEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000026199003 507565357 /nfs/dbraw/zinc/56/53/57/507565357.db2.gz XEXFFNUHCBERNW-WMLDXEAASA-N 1 2 368.399 2.672 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000060633901 507570441 /nfs/dbraw/zinc/57/04/41/507570441.db2.gz VOWZODNSXYHHQF-UHFFFAOYSA-N 1 2 356.253 2.681 20 30 FFEDLO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+](C)Cc2cccc(C#N)c2)c1C ZINC000026329526 507579495 /nfs/dbraw/zinc/57/94/95/507579495.db2.gz PEXXAHXESLYYHX-UHFFFAOYSA-N 1 2 353.422 2.995 20 30 FFEDLO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c1C ZINC000026329526 507579503 /nfs/dbraw/zinc/57/95/03/507579503.db2.gz PEXXAHXESLYYHX-UHFFFAOYSA-N 1 2 353.422 2.995 20 30 FFEDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000026349253 507581067 /nfs/dbraw/zinc/58/10/67/507581067.db2.gz JYRJWOIKMAKLSC-SFHVURJKSA-N 1 2 350.378 2.704 20 30 FFEDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000026349253 507581074 /nfs/dbraw/zinc/58/10/74/507581074.db2.gz JYRJWOIKMAKLSC-SFHVURJKSA-N 1 2 350.378 2.704 20 30 FFEDLO CC[N@H+](CCCNC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000049307372 507612450 /nfs/dbraw/zinc/61/24/50/507612450.db2.gz RFAFSBWPLZDVGV-UHFFFAOYSA-N 1 2 350.422 2.530 20 30 FFEDLO CC[N@@H+](CCCNC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000049307372 507612459 /nfs/dbraw/zinc/61/24/59/507612459.db2.gz RFAFSBWPLZDVGV-UHFFFAOYSA-N 1 2 350.422 2.530 20 30 FFEDLO C#CCN(Cc1ccc(F)cc1)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000062485330 507671620 /nfs/dbraw/zinc/67/16/20/507671620.db2.gz HMXPVPHIFXDEAI-UHFFFAOYSA-N 1 2 363.396 2.751 20 30 FFEDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1OC ZINC000371367354 512355882 /nfs/dbraw/zinc/35/58/82/512355882.db2.gz XNWKVPUYLUHCSU-HXUWFJFHSA-N 1 2 354.406 2.855 20 30 FFEDLO COc1cc(O)c(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1OC ZINC000371367354 512355888 /nfs/dbraw/zinc/35/58/88/512355888.db2.gz XNWKVPUYLUHCSU-HXUWFJFHSA-N 1 2 354.406 2.855 20 30 FFEDLO CCN(C(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000029447144 507777944 /nfs/dbraw/zinc/77/79/44/507777944.db2.gz LSJSZLJOMSDBQM-KRWDZBQOSA-N 1 2 363.465 2.517 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445373 507778243 /nfs/dbraw/zinc/77/82/43/507778243.db2.gz IDCQDNMOHYADTG-CQSZACIVSA-N 1 2 369.856 2.756 20 30 FFEDLO Cc1cc(C(=O)N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)c(C)o1 ZINC000052241774 507803953 /nfs/dbraw/zinc/80/39/53/507803953.db2.gz RVWPBSGAQFSLRX-UHFFFAOYSA-N 1 2 353.422 2.605 20 30 FFEDLO C=CCCN(C)C(=O)C(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000410766679 512363784 /nfs/dbraw/zinc/36/37/84/512363784.db2.gz HUZBIGYESJEWJL-OAHLLOKOSA-N 1 2 363.889 2.580 20 30 FFEDLO CN(CC(=O)Nc1sccc1C#N)Cc1[nH+]ccn1Cc1ccccc1 ZINC000072774382 507852232 /nfs/dbraw/zinc/85/22/32/507852232.db2.gz ALMRPVZRELKZOU-UHFFFAOYSA-N 1 2 365.462 2.935 20 30 FFEDLO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000078269205 507853262 /nfs/dbraw/zinc/85/32/62/507853262.db2.gz XBDHHQDUGDFBTR-AZUAARDMSA-N 1 2 354.498 2.516 20 30 FFEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccccc1I ZINC000078320788 507860268 /nfs/dbraw/zinc/86/02/68/507860268.db2.gz YBOWPCROIQVKCR-UHFFFAOYSA-N 1 2 356.207 2.904 20 30 FFEDLO N#CCOc1cccc(CC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000089757495 507862094 /nfs/dbraw/zinc/86/20/94/507862094.db2.gz DBUPMNUEDOCLKX-UHFFFAOYSA-N 1 2 364.449 2.833 20 30 FFEDLO CNC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000078730480 507902094 /nfs/dbraw/zinc/90/20/94/507902094.db2.gz AXPWUCTUZGHOML-UHFFFAOYSA-N 1 2 370.478 2.667 20 30 FFEDLO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000078730480 507902095 /nfs/dbraw/zinc/90/20/95/507902095.db2.gz AXPWUCTUZGHOML-UHFFFAOYSA-N 1 2 370.478 2.667 20 30 FFEDLO COC(=O)c1cc(C[N@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)oc1C ZINC000078780307 507906780 /nfs/dbraw/zinc/90/67/80/507906780.db2.gz NPWUSCXFJSLBNW-CYBMUJFWSA-N 1 2 361.442 2.538 20 30 FFEDLO COC(=O)c1cc(C[N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)oc1C ZINC000078780307 507906781 /nfs/dbraw/zinc/90/67/81/507906781.db2.gz NPWUSCXFJSLBNW-CYBMUJFWSA-N 1 2 361.442 2.538 20 30 FFEDLO CC[N@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109818522 507989790 /nfs/dbraw/zinc/98/97/90/507989790.db2.gz DODOKAIZRFMNNK-MRXNPFEDSA-N 1 2 368.462 2.686 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109818522 507989794 /nfs/dbraw/zinc/98/97/94/507989794.db2.gz DODOKAIZRFMNNK-MRXNPFEDSA-N 1 2 368.462 2.686 20 30 FFEDLO Cc1ccn2cc(CNS(=O)(=O)c3ccc(C#N)c(Cl)c3)[nH+]c2c1 ZINC000079911541 508014760 /nfs/dbraw/zinc/01/47/60/508014760.db2.gz ABZZYEJTJSIYAG-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO CCOc1ccc(C2=CC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)cc1 ZINC000091810810 508015016 /nfs/dbraw/zinc/01/50/16/508015016.db2.gz ZAUJTUXLQDTURR-OAQYLSRUSA-N 1 2 353.466 2.983 20 30 FFEDLO CCOc1ccc(C2=CC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)cc1 ZINC000091810810 508015018 /nfs/dbraw/zinc/01/50/18/508015018.db2.gz ZAUJTUXLQDTURR-OAQYLSRUSA-N 1 2 353.466 2.983 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000091980721 508029404 /nfs/dbraw/zinc/02/94/04/508029404.db2.gz ABEYZLZBBDBFQO-SJORKVTESA-N 1 2 360.477 2.512 20 30 FFEDLO N#Cc1ccc(CSCC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000110956043 508059999 /nfs/dbraw/zinc/05/99/99/508059999.db2.gz HVSMGMBUWWXYSW-IBGZPJMESA-N 1 2 373.522 2.505 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC(C3CC3)C3CC3)CC2)cc1 ZINC000074844427 508060420 /nfs/dbraw/zinc/06/04/20/508060420.db2.gz WCHVICQUYHYMCV-UHFFFAOYSA-N 1 2 352.482 2.822 20 30 FFEDLO CCc1nc(CN2CCN(Cc3c[nH+]c4ccc(C#N)cn34)CC2)cs1 ZINC000092504805 508075959 /nfs/dbraw/zinc/07/59/59/508075959.db2.gz VIVWYSWCWKIMDT-UHFFFAOYSA-N 1 2 366.494 2.543 20 30 FFEDLO Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CCN(CC#N)CC1 ZINC000092936114 508109153 /nfs/dbraw/zinc/10/91/53/508109153.db2.gz KKVVGZYROAWHKP-UHFFFAOYSA-N 1 2 374.286 2.584 20 30 FFEDLO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000080908209 508110803 /nfs/dbraw/zinc/11/08/03/508110803.db2.gz NBXWJATWNPLZMI-RLLQIKCJSA-N 1 2 354.498 2.564 20 30 FFEDLO COC(=O)[C@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000093082874 508120326 /nfs/dbraw/zinc/12/03/26/508120326.db2.gz NJYGPONXLGNKGI-HXUWFJFHSA-N 1 2 366.417 2.511 20 30 FFEDLO COC(=O)[C@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000093082874 508120329 /nfs/dbraw/zinc/12/03/29/508120329.db2.gz NJYGPONXLGNKGI-HXUWFJFHSA-N 1 2 366.417 2.511 20 30 FFEDLO N#Cc1cc(Cl)ccc1NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000080971167 508120626 /nfs/dbraw/zinc/12/06/26/508120626.db2.gz ILSAVFYRRODQLV-UHFFFAOYSA-N 1 2 369.856 2.757 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1C ZINC000081085088 508134707 /nfs/dbraw/zinc/13/47/07/508134707.db2.gz IYLCIEQHTNQEKE-QGZVFWFLSA-N 1 2 369.387 2.549 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c1C ZINC000081085088 508134708 /nfs/dbraw/zinc/13/47/08/508134708.db2.gz IYLCIEQHTNQEKE-QGZVFWFLSA-N 1 2 369.387 2.549 20 30 FFEDLO Cc1ccc(-c2cnc(CN(CCC#N)CC[NH+]3CCOCC3)o2)cc1 ZINC000081547469 508188198 /nfs/dbraw/zinc/18/81/98/508188198.db2.gz CMMBWWWXCXLGBH-UHFFFAOYSA-N 1 2 354.454 2.698 20 30 FFEDLO CSc1nc(C2CC2)cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)c1C#N ZINC000081800849 508213247 /nfs/dbraw/zinc/21/32/47/508213247.db2.gz SVSUTFUDBCCOQA-LBPRGKRZSA-N 1 2 355.467 2.815 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000101555038 508245939 /nfs/dbraw/zinc/24/59/39/508245939.db2.gz LJSCZRNJETUEQV-UHFFFAOYSA-N 1 2 368.868 2.650 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cc(C#N)cs3)c[nH+]2)C[C@@H](C)O1 ZINC000084083340 508265073 /nfs/dbraw/zinc/26/50/73/508265073.db2.gz WVZDFAKZWLPABC-CHWSQXEVSA-N 1 2 356.451 2.558 20 30 FFEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000104795190 508347642 /nfs/dbraw/zinc/34/76/42/508347642.db2.gz MATQENKQFYBTQQ-UHFFFAOYSA-N 1 2 365.880 2.797 20 30 FFEDLO N#CCCN(C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000088606826 508379076 /nfs/dbraw/zinc/37/90/76/508379076.db2.gz WSFIMUIEWOFRCI-UHFFFAOYSA-N 1 2 364.405 2.900 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000088606826 508379078 /nfs/dbraw/zinc/37/90/78/508379078.db2.gz WSFIMUIEWOFRCI-UHFFFAOYSA-N 1 2 364.405 2.900 20 30 FFEDLO C[C@H](OCc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000106117286 508395308 /nfs/dbraw/zinc/39/53/08/508395308.db2.gz MZBNJDZLXUUAJA-SFHVURJKSA-N 1 2 363.461 2.808 20 30 FFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cccnc2OC2CCCC2)C(N)=O)cc1 ZINC000115596904 508416553 /nfs/dbraw/zinc/41/65/53/508416553.db2.gz IMRZZFZKFDWUHG-GOSISDBHSA-N 1 2 350.422 2.591 20 30 FFEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)cc1 ZINC000127379590 508441054 /nfs/dbraw/zinc/44/10/54/508441054.db2.gz NGBSTORENNYPJT-FQEVSTJZSA-N 1 2 355.482 2.706 20 30 FFEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]O[C@H](C)c3nnc(C)o3)c2)n1 ZINC000122235237 508503916 /nfs/dbraw/zinc/50/39/16/508503916.db2.gz DEUIBTUWAAXHHH-CYBMUJFWSA-N 1 2 354.414 2.638 20 30 FFEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N[C@H](C)CC#N)c1 ZINC000122854158 508596839 /nfs/dbraw/zinc/59/68/39/508596839.db2.gz QVGQZCKAEILGEV-CQSZACIVSA-N 1 2 353.426 2.707 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c(C#N)c1C ZINC000128505990 508602890 /nfs/dbraw/zinc/60/28/90/508602890.db2.gz GSKMFJODSSZZEC-MRXNPFEDSA-N 1 2 357.410 2.981 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+](Cc2ccco2)C[C@H]2CCCO2)c(C#N)c1C ZINC000128505990 508602894 /nfs/dbraw/zinc/60/28/94/508602894.db2.gz GSKMFJODSSZZEC-MRXNPFEDSA-N 1 2 357.410 2.981 20 30 FFEDLO N#CC1(c2ccccn2)CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000375584692 512406792 /nfs/dbraw/zinc/40/67/92/512406792.db2.gz OZHURTGPWWBMKK-UHFFFAOYSA-N 1 2 364.453 2.546 20 30 FFEDLO CCc1nc(CN2CC[NH+](Cc3cc(C#N)ccc3OC)CC2)cs1 ZINC000157879744 508625908 /nfs/dbraw/zinc/62/59/08/508625908.db2.gz OPOVQXOOEIRFGV-UHFFFAOYSA-N 1 2 356.495 2.904 20 30 FFEDLO CC[C@]1(C)C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000135673428 508639385 /nfs/dbraw/zinc/63/93/85/508639385.db2.gz QZIBDUSIKUMFCO-GOSISDBHSA-N 1 2 368.399 2.674 20 30 FFEDLO CC[C@]1(C)C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000135673428 508639389 /nfs/dbraw/zinc/63/93/89/508639389.db2.gz QZIBDUSIKUMFCO-GOSISDBHSA-N 1 2 368.399 2.674 20 30 FFEDLO N#Cc1cccc(C[NH+]2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)c1 ZINC000123374474 508677294 /nfs/dbraw/zinc/67/72/94/508677294.db2.gz WMUOIQSFUISJMM-UHFFFAOYSA-N 1 2 368.868 2.968 20 30 FFEDLO CN(C(=O)C[NH+]1CCN(CC#Cc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000158397568 508698089 /nfs/dbraw/zinc/69/80/89/508698089.db2.gz LSLWBADILCABME-UHFFFAOYSA-N 1 2 371.500 2.586 20 30 FFEDLO N#Cc1ccc2[nH+]cc(CNc3cccc(-c4nnnn4C4CC4)c3)n2c1 ZINC000158516295 508715878 /nfs/dbraw/zinc/71/58/78/508715878.db2.gz RNILHPMDKOXTPW-UHFFFAOYSA-N 1 2 356.393 2.806 20 30 FFEDLO Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000119419311 508791883 /nfs/dbraw/zinc/79/18/83/508791883.db2.gz FFXOOBQEBMXVPT-UHFFFAOYSA-N 1 2 368.506 2.993 20 30 FFEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](CC(=O)NCc1cccc(C#N)c1)C2 ZINC000377727533 512422993 /nfs/dbraw/zinc/42/29/93/512422993.db2.gz RQJMWJGGACANII-UHFFFAOYSA-N 1 2 361.445 2.730 20 30 FFEDLO COc1ccc2c(c1)C1(CC1)C[N@H+](CC(=O)NCc1cccc(C#N)c1)C2 ZINC000377727533 512422999 /nfs/dbraw/zinc/42/29/99/512422999.db2.gz RQJMWJGGACANII-UHFFFAOYSA-N 1 2 361.445 2.730 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(F)c1 ZINC000151103454 508957343 /nfs/dbraw/zinc/95/73/43/508957343.db2.gz OIZIWMSCPWHZGW-UHFFFAOYSA-N 1 2 374.372 2.501 20 30 FFEDLO CC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccn1 ZINC000125362699 508971971 /nfs/dbraw/zinc/97/19/71/508971971.db2.gz DDPWTLHPLGXWDG-UHFFFAOYSA-N 1 2 360.421 2.600 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccn1 ZINC000125362699 508971976 /nfs/dbraw/zinc/97/19/76/508971976.db2.gz DDPWTLHPLGXWDG-UHFFFAOYSA-N 1 2 360.421 2.600 20 30 FFEDLO C=C[C@@H](CC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000125517578 508993660 /nfs/dbraw/zinc/99/36/60/508993660.db2.gz XBRJNFAWNPIYHE-OALUTQOASA-N 1 2 369.509 2.501 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000125523217 508994362 /nfs/dbraw/zinc/99/43/62/508994362.db2.gz UQSYVXVKTQKTFJ-BEFAXECRSA-N 1 2 368.485 2.652 20 30 FFEDLO COc1cccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)s3)CC2)c1 ZINC000120433715 508995594 /nfs/dbraw/zinc/99/55/94/508995594.db2.gz LZFXGGPAZAOKTG-UHFFFAOYSA-N 1 2 355.463 2.515 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Br)cn1C ZINC000151472356 509024034 /nfs/dbraw/zinc/02/40/34/509024034.db2.gz RPWPIWYWJQIVRZ-WBMJQRKESA-N 1 2 369.307 2.662 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cc(Br)cn1C ZINC000151472437 509024001 /nfs/dbraw/zinc/02/40/01/509024001.db2.gz RPWPIWYWJQIVRZ-BLLLJJGKSA-N 1 2 369.307 2.662 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cc(Br)cn1C ZINC000151472437 509024004 /nfs/dbraw/zinc/02/40/04/509024004.db2.gz RPWPIWYWJQIVRZ-BLLLJJGKSA-N 1 2 369.307 2.662 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(Br)cn1C ZINC000151472356 509024032 /nfs/dbraw/zinc/02/40/32/509024032.db2.gz RPWPIWYWJQIVRZ-WBMJQRKESA-N 1 2 369.307 2.662 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000155559605 509026619 /nfs/dbraw/zinc/02/66/19/509026619.db2.gz ZDKHNRKMXSXRFG-HNNXBMFYSA-N 1 2 360.421 2.714 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000155559605 509026621 /nfs/dbraw/zinc/02/66/21/509026621.db2.gz ZDKHNRKMXSXRFG-HNNXBMFYSA-N 1 2 360.421 2.714 20 30 FFEDLO O=C(CN1CC[NH+](CC#Cc2ccc(F)cc2)CC1)Nc1ccccc1F ZINC000120735324 509055163 /nfs/dbraw/zinc/05/51/63/509055163.db2.gz UOZGQZBKDIFIPV-UHFFFAOYSA-N 1 2 369.415 2.573 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC([C@@H](O)C(F)(F)F)CC3)o2)cc1 ZINC000161268676 509095308 /nfs/dbraw/zinc/09/53/08/509095308.db2.gz XEARWZNIYBPNBA-OAHLLOKOSA-N 1 2 366.343 2.743 20 30 FFEDLO C[C@@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)[NH+]1CCSCC1 ZINC000151904447 509107584 /nfs/dbraw/zinc/10/75/84/509107584.db2.gz YWJKCNQPLCQLBP-SMDDNHRTSA-N 1 2 368.300 2.567 20 30 FFEDLO N#Cc1ccc2ncc(C[N@H+]3CCCN(C(=O)c4ccccc4)CC3)n2c1 ZINC000121218594 509152046 /nfs/dbraw/zinc/15/20/46/509152046.db2.gz XXRVDTSKIHMUPO-UHFFFAOYSA-N 1 2 359.433 2.554 20 30 FFEDLO N#Cc1ccc2ncc(C[N@@H+]3CCCN(C(=O)c4ccccc4)CC3)n2c1 ZINC000121218594 509152050 /nfs/dbraw/zinc/15/20/50/509152050.db2.gz XXRVDTSKIHMUPO-UHFFFAOYSA-N 1 2 359.433 2.554 20 30 FFEDLO Cc1ccc2[nH+]c(CSCC(=O)NC3(C#N)CCSCC3)cn2c1 ZINC000162251945 509183444 /nfs/dbraw/zinc/18/34/44/509183444.db2.gz IUQJSVFRMWFPAU-UHFFFAOYSA-N 1 2 360.508 2.782 20 30 FFEDLO CCC1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOCC1 ZINC000266782328 509191073 /nfs/dbraw/zinc/19/10/73/509191073.db2.gz YBFJLZZZTZZDII-UHFFFAOYSA-N 1 2 370.497 2.592 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000175970534 509245936 /nfs/dbraw/zinc/24/59/36/509245936.db2.gz LRAMGSJTZVPUFB-ZDUSSCGKSA-N 1 2 355.891 2.579 20 30 FFEDLO Cc1cc2cn[nH]c2c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000263986631 509265554 /nfs/dbraw/zinc/26/55/54/509265554.db2.gz MDASGLVGWFHCEC-UHFFFAOYSA-N 1 2 359.433 2.701 20 30 FFEDLO Cc1cc2c[nH]nc2c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000263986631 509265562 /nfs/dbraw/zinc/26/55/62/509265562.db2.gz MDASGLVGWFHCEC-UHFFFAOYSA-N 1 2 359.433 2.701 20 30 FFEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000185614286 509266601 /nfs/dbraw/zinc/26/66/01/509266601.db2.gz OPODYPZIZBUIJD-UHFFFAOYSA-N 1 2 368.418 2.768 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1Cl ZINC000172848268 509270721 /nfs/dbraw/zinc/27/07/21/509270721.db2.gz UFMAJIVGOMQIBI-RBUKOAKNSA-N 1 2 369.852 2.922 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1Cl ZINC000172848268 509270723 /nfs/dbraw/zinc/27/07/23/509270723.db2.gz UFMAJIVGOMQIBI-RBUKOAKNSA-N 1 2 369.852 2.922 20 30 FFEDLO C[N@@H+](CC#Cc1ccccc1)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000191973446 509272570 /nfs/dbraw/zinc/27/25/70/509272570.db2.gz MIIGCDQAOXNWNX-UHFFFAOYSA-N 1 2 357.475 2.843 20 30 FFEDLO C[N@H+](CC#Cc1ccccc1)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000191973446 509272578 /nfs/dbraw/zinc/27/25/78/509272578.db2.gz MIIGCDQAOXNWNX-UHFFFAOYSA-N 1 2 357.475 2.843 20 30 FFEDLO Cc1cc(N2CCN(C(=O)c3cccc(F)c3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000188896382 509313943 /nfs/dbraw/zinc/31/39/43/509313943.db2.gz KFMMXJDHKPCJMS-UHFFFAOYSA-N 1 2 367.428 2.882 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc4c(s3)CCOC4)CC2)cc1 ZINC000264155998 509355038 /nfs/dbraw/zinc/35/50/38/509355038.db2.gz SRRIDGOPKZWBOW-UHFFFAOYSA-N 1 2 367.474 2.650 20 30 FFEDLO Cc1sc(NC(=O)C[NH2+][C@H](C)c2nnc3ccccn32)c(C#N)c1C ZINC000182730486 509398012 /nfs/dbraw/zinc/39/80/12/509398012.db2.gz YLQWZULCZOCTCD-LLVKDONJSA-N 1 2 354.439 2.569 20 30 FFEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 ZINC000264546946 509591991 /nfs/dbraw/zinc/59/19/91/509591991.db2.gz JZPMMQGZLJRVMN-UHFFFAOYSA-N 1 2 371.387 2.825 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000267781558 509612200 /nfs/dbraw/zinc/61/22/00/509612200.db2.gz HWZKZOMRDKSTOY-QAPCUYQASA-N 1 2 353.470 2.718 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000267781558 509612208 /nfs/dbraw/zinc/61/22/08/509612208.db2.gz HWZKZOMRDKSTOY-QAPCUYQASA-N 1 2 353.470 2.718 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)cc1 ZINC000267940401 509680601 /nfs/dbraw/zinc/68/06/01/509680601.db2.gz SXUZUONYDGCNAB-UHFFFAOYSA-N 1 2 366.371 2.666 20 30 FFEDLO C=CCN(CCOC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000250309608 509795836 /nfs/dbraw/zinc/79/58/36/509795836.db2.gz KYNQGBLUNXJZHA-DLBZAZTESA-N 1 2 353.413 2.554 20 30 FFEDLO C=CCN(CCOC)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000250309608 509795845 /nfs/dbraw/zinc/79/58/45/509795845.db2.gz KYNQGBLUNXJZHA-DLBZAZTESA-N 1 2 353.413 2.554 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000250522159 509798714 /nfs/dbraw/zinc/79/87/14/509798714.db2.gz OJMUVJWQUMKHBG-QUCCMNQESA-N 1 2 361.461 2.861 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000250522159 509798716 /nfs/dbraw/zinc/79/87/16/509798716.db2.gz OJMUVJWQUMKHBG-QUCCMNQESA-N 1 2 361.461 2.861 20 30 FFEDLO COC(=O)c1cc(C[N@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)oc1C ZINC000176995009 509806527 /nfs/dbraw/zinc/80/65/27/509806527.db2.gz AFQVVMYYPCYDML-HNNXBMFYSA-N 1 2 373.434 2.545 20 30 FFEDLO COC(=O)c1cc(C[N@@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)oc1C ZINC000176995009 509806531 /nfs/dbraw/zinc/80/65/31/509806531.db2.gz AFQVVMYYPCYDML-HNNXBMFYSA-N 1 2 373.434 2.545 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@]3(C2)OCc2ccccc23)C1=O ZINC000186718489 509870400 /nfs/dbraw/zinc/87/04/00/509870400.db2.gz VTAASBYCJISXQR-XLIONFOSSA-N 1 2 365.458 2.856 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@]3(C2)OCc2ccccc23)C1=O ZINC000186718489 509870406 /nfs/dbraw/zinc/87/04/06/509870406.db2.gz VTAASBYCJISXQR-XLIONFOSSA-N 1 2 365.458 2.856 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)C2CC[NH+](Cc3nccn3C)CC2)cc1 ZINC000171028261 509898191 /nfs/dbraw/zinc/89/81/91/509898191.db2.gz ALWZPQNFLNXWPB-UHFFFAOYSA-N 1 2 365.481 2.887 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000255048234 509916467 /nfs/dbraw/zinc/91/64/67/509916467.db2.gz JNAWOMOAQSNOKL-FNUUXAGOSA-N 1 2 353.510 2.907 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255048234 509916474 /nfs/dbraw/zinc/91/64/74/509916474.db2.gz JNAWOMOAQSNOKL-FNUUXAGOSA-N 1 2 353.510 2.907 20 30 FFEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)n2)cc1 ZINC000268489104 509965547 /nfs/dbraw/zinc/96/55/47/509965547.db2.gz NFDIXNILDZHBTJ-ZIAGYGMSSA-N 1 2 355.442 2.710 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000187017815 510007846 /nfs/dbraw/zinc/00/78/46/510007846.db2.gz VESNRZYBJYYBKD-KRWDZBQOSA-N 1 2 360.461 2.890 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](CCO)Cc2ccccc2OC)c1C ZINC000177596184 510151533 /nfs/dbraw/zinc/15/15/33/510151533.db2.gz HHOKLEFMHOUSCZ-UHFFFAOYSA-N 1 2 356.466 2.977 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@H+](CCO)Cc2ccccc2OC)c1C ZINC000177596184 510151538 /nfs/dbraw/zinc/15/15/38/510151538.db2.gz HHOKLEFMHOUSCZ-UHFFFAOYSA-N 1 2 356.466 2.977 20 30 FFEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1 ZINC000190486333 510159029 /nfs/dbraw/zinc/15/90/29/510159029.db2.gz JHTOQVUCMPHWRU-UHFFFAOYSA-N 1 2 354.385 2.574 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000245835719 510160888 /nfs/dbraw/zinc/16/08/88/510160888.db2.gz ANUPLYNYSJHJPM-IAGOWNOFSA-N 1 2 358.463 2.953 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000245835719 510160896 /nfs/dbraw/zinc/16/08/96/510160896.db2.gz ANUPLYNYSJHJPM-IAGOWNOFSA-N 1 2 358.463 2.953 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)c([N+](=O)[O-])cc1F ZINC000184194201 510186980 /nfs/dbraw/zinc/18/69/80/510186980.db2.gz WQURZOUGIMLEOK-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CCOc3cc[nH+]cc32)cc1C(F)(F)F ZINC000177669741 510191045 /nfs/dbraw/zinc/19/10/45/510191045.db2.gz NFNACIWCLUJFHY-UHFFFAOYSA-N 1 2 369.324 2.560 20 30 FFEDLO C#CCSCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000265739559 510204591 /nfs/dbraw/zinc/20/45/91/510204591.db2.gz DMESIHDFQGMWGY-OAHLLOKOSA-N 1 2 362.886 2.829 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c(C#N)c1C ZINC000184494724 510354978 /nfs/dbraw/zinc/35/49/78/510354978.db2.gz MQIFROUJCHSQEB-HNNXBMFYSA-N 1 2 361.442 2.760 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c(C#N)c1C ZINC000184494724 510354984 /nfs/dbraw/zinc/35/49/84/510354984.db2.gz MQIFROUJCHSQEB-HNNXBMFYSA-N 1 2 361.442 2.760 20 30 FFEDLO N#Cc1ccc(CN[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c(F)c1 ZINC000269384229 510376109 /nfs/dbraw/zinc/37/61/09/510376109.db2.gz AGFCICYBGJYVAL-CTNGQTDRSA-N 1 2 353.441 2.670 20 30 FFEDLO N#Cc1ccc(CN[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c(F)c1 ZINC000269384229 510376115 /nfs/dbraw/zinc/37/61/15/510376115.db2.gz AGFCICYBGJYVAL-CTNGQTDRSA-N 1 2 353.441 2.670 20 30 FFEDLO Cn1cc([C@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)c2ccc(F)cc2)cn1 ZINC000184582947 510399210 /nfs/dbraw/zinc/39/92/10/510399210.db2.gz DWVKIYBAATYJBC-LJQANCHMSA-N 1 2 369.444 2.581 20 30 FFEDLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246350596 510442079 /nfs/dbraw/zinc/44/20/79/510442079.db2.gz FYKCNZROTJPYAU-HOTGVXAUSA-N 1 2 369.494 2.913 20 30 FFEDLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246350596 510442086 /nfs/dbraw/zinc/44/20/86/510442086.db2.gz FYKCNZROTJPYAU-HOTGVXAUSA-N 1 2 369.494 2.913 20 30 FFEDLO N#Cc1cccc(C2(NC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)CC2)c1 ZINC000269608160 510481202 /nfs/dbraw/zinc/48/12/02/510481202.db2.gz LECYEIXUQHHXJE-HXUWFJFHSA-N 1 2 361.445 2.565 20 30 FFEDLO N#Cc1cccc(C2(NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2)c1 ZINC000269608160 510481207 /nfs/dbraw/zinc/48/12/07/510481207.db2.gz LECYEIXUQHHXJE-HXUWFJFHSA-N 1 2 361.445 2.565 20 30 FFEDLO COc1ccc(C[N@@H+]2CCN(C(C)=O)CC2(C)C)cc1OCCCC#N ZINC000184727150 510485239 /nfs/dbraw/zinc/48/52/39/510485239.db2.gz XTLULUILTZSPAF-UHFFFAOYSA-N 1 2 359.470 2.820 20 30 FFEDLO COc1ccc(C[N@H+]2CCN(C(C)=O)CC2(C)C)cc1OCCCC#N ZINC000184727150 510485244 /nfs/dbraw/zinc/48/52/44/510485244.db2.gz XTLULUILTZSPAF-UHFFFAOYSA-N 1 2 359.470 2.820 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)nc1 ZINC000172019644 510502662 /nfs/dbraw/zinc/50/26/62/510502662.db2.gz BTJAYVNSOZLZAU-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)C[C@H]2COc3ccccc3O2)c(C#N)c1C ZINC000246622237 510587460 /nfs/dbraw/zinc/58/74/60/510587460.db2.gz TUCVOXAGFQRSNV-ZFWWWQNUSA-N 1 2 369.421 2.867 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)C[C@H]2COc3ccccc3O2)c(C#N)c1C ZINC000246622237 510587469 /nfs/dbraw/zinc/58/74/69/510587469.db2.gz TUCVOXAGFQRSNV-ZFWWWQNUSA-N 1 2 369.421 2.867 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(F)cc3Cl)CC2)nc1 ZINC000184968363 510608161 /nfs/dbraw/zinc/60/81/61/510608161.db2.gz LSUGLQKKXDYMJZ-QGZVFWFLSA-N 1 2 360.820 2.601 20 30 FFEDLO C=C(C)[C@@H](CC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)OCC ZINC000270014786 510639068 /nfs/dbraw/zinc/63/90/68/510639068.db2.gz GYBXWDPPMDYSIJ-LJQANCHMSA-N 1 2 373.497 2.577 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000266552516 510653920 /nfs/dbraw/zinc/65/39/20/510653920.db2.gz UYPNNJIPXYWCOF-MRXNPFEDSA-N 1 2 374.448 2.882 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000188325580 510711347 /nfs/dbraw/zinc/71/13/47/510711347.db2.gz KHNVRNOSQGDZBK-PZJWPPBQSA-N 1 2 360.498 2.713 20 30 FFEDLO COCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2C1 ZINC000182017137 510712791 /nfs/dbraw/zinc/71/27/91/510712791.db2.gz QRBHOVCHHGUFTH-UHFFFAOYSA-N 1 2 371.462 2.711 20 30 FFEDLO COCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2C1 ZINC000182017137 510712797 /nfs/dbraw/zinc/71/27/97/510712797.db2.gz QRBHOVCHHGUFTH-UHFFFAOYSA-N 1 2 371.462 2.711 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC000191615910 510752160 /nfs/dbraw/zinc/75/21/60/510752160.db2.gz RAAMOMZPVKIJRZ-UHFFFAOYSA-N 1 2 355.463 2.607 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc([S@](C)=O)cc2)c(C#N)c1C ZINC000178796762 510778113 /nfs/dbraw/zinc/77/81/13/510778113.db2.gz MEBGCVBYTZCULR-SRGMZFCMSA-N 1 2 373.478 2.965 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c(C#N)c1C ZINC000178796762 510778115 /nfs/dbraw/zinc/77/81/15/510778115.db2.gz MEBGCVBYTZCULR-SRGMZFCMSA-N 1 2 373.478 2.965 20 30 FFEDLO C[C@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])c1nccs1 ZINC000182150104 510782224 /nfs/dbraw/zinc/78/22/24/510782224.db2.gz IPFYEZZOXSOOKC-GFCCVEGCSA-N 1 2 367.478 2.906 20 30 FFEDLO C[C@@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])c1nccs1 ZINC000182150081 510782584 /nfs/dbraw/zinc/78/25/84/510782584.db2.gz IPFYEZZOXSOOKC-LBPRGKRZSA-N 1 2 367.478 2.906 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000247101198 510834013 /nfs/dbraw/zinc/83/40/13/510834013.db2.gz QJASVCAJCVILFR-ODCWNRFASA-N 1 2 361.511 2.587 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000247101198 510834017 /nfs/dbraw/zinc/83/40/17/510834017.db2.gz QJASVCAJCVILFR-ODCWNRFASA-N 1 2 361.511 2.587 20 30 FFEDLO Cc1cnn([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)c1 ZINC000247558900 510865516 /nfs/dbraw/zinc/86/55/16/510865516.db2.gz FTWHWPMVTISKKF-ZBFHGGJFSA-N 1 2 355.442 2.937 20 30 FFEDLO Cc1cnn([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)c1 ZINC000247558900 510865517 /nfs/dbraw/zinc/86/55/17/510865517.db2.gz FTWHWPMVTISKKF-ZBFHGGJFSA-N 1 2 355.442 2.937 20 30 FFEDLO COc1ccc(Cl)cc1NC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000329921312 510876744 /nfs/dbraw/zinc/87/67/44/510876744.db2.gz SOVKCFZVLJQWRE-OAHLLOKOSA-N 1 2 367.877 2.937 20 30 FFEDLO COc1ccc(Cl)cc1NC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000329921312 510876746 /nfs/dbraw/zinc/87/67/46/510876746.db2.gz SOVKCFZVLJQWRE-OAHLLOKOSA-N 1 2 367.877 2.937 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CCNC(=O)C1 ZINC000329934515 510881618 /nfs/dbraw/zinc/88/16/18/510881618.db2.gz JVTRYNOCGSQIKR-IHRRRGAJSA-N 1 2 352.410 2.527 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CCNC(=O)C1 ZINC000329934515 510881620 /nfs/dbraw/zinc/88/16/20/510881620.db2.gz JVTRYNOCGSQIKR-IHRRRGAJSA-N 1 2 352.410 2.527 20 30 FFEDLO C[C@@H]1C[C@H](CNC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CCO1 ZINC000329934490 510881766 /nfs/dbraw/zinc/88/17/66/510881766.db2.gz JVDUUXVKGODILQ-WCVJEAGWSA-N 1 2 369.506 2.979 20 30 FFEDLO C[C@@H]1C[C@H](CNC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CCO1 ZINC000329934490 510881768 /nfs/dbraw/zinc/88/17/68/510881768.db2.gz JVDUUXVKGODILQ-WCVJEAGWSA-N 1 2 369.506 2.979 20 30 FFEDLO CCN1CCN(C(=O)N[C@@H]2CCCOc3ccccc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329974627 510891153 /nfs/dbraw/zinc/89/11/53/510891153.db2.gz XNRHPWFAIFGNTL-IAGOWNOFSA-N 1 2 369.469 2.916 20 30 FFEDLO CCN1CCN(C(=O)N[C@@H]2CCc3c2cccc3F)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329985962 510893408 /nfs/dbraw/zinc/89/34/08/510893408.db2.gz DTTZAQUWFFGIFZ-IAGOWNOFSA-N 1 2 357.433 2.829 20 30 FFEDLO C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)C[C@H]1C ZINC000329988254 510894600 /nfs/dbraw/zinc/89/46/00/510894600.db2.gz UCVYNOLDLTUNPV-NRKLIOEPSA-N 1 2 365.497 2.661 20 30 FFEDLO C[C@@H]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000330003205 510898801 /nfs/dbraw/zinc/89/88/01/510898801.db2.gz BOFDNDGOTHUREL-HZPDHXFCSA-N 1 2 350.488 2.570 20 30 FFEDLO O=C(NC[C@@H]1CCC2(CCCCC2)O1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000330057116 510907922 /nfs/dbraw/zinc/90/79/22/510907922.db2.gz WYARBXZIVWHVFJ-IBGZPJMESA-N 1 2 372.513 2.995 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000330241132 510945891 /nfs/dbraw/zinc/94/58/91/510945891.db2.gz IVXAGWJFECXFJH-NWDGAFQWSA-N 1 2 360.849 2.794 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000330241132 510945894 /nfs/dbraw/zinc/94/58/94/510945894.db2.gz IVXAGWJFECXFJH-NWDGAFQWSA-N 1 2 360.849 2.794 20 30 FFEDLO Cc1ccc2c(c1)[C@H](NC(=O)N1CC[NH+](Cc3cnn(C)c3)CC1)CCC2 ZINC000330272659 510953235 /nfs/dbraw/zinc/95/32/35/510953235.db2.gz XXFFTMWDSAIWLH-HXUWFJFHSA-N 1 2 367.497 2.838 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H](C)CO[C@@H]1CCOC1 ZINC000330278930 510956190 /nfs/dbraw/zinc/95/61/90/510956190.db2.gz QGRPMQFOVWPWEJ-OAGGEKHMSA-N 1 2 350.463 2.538 20 30 FFEDLO CC(C)N(C)c1cccc(NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000330286294 510958234 /nfs/dbraw/zinc/95/82/34/510958234.db2.gz AHWQPOSSPZYDCJ-GOSISDBHSA-N 1 2 370.501 2.799 20 30 FFEDLO CCOc1cc(CO[NH+]=C(N)Cc2csc(C)n2)ccc1[N+](=O)[O-] ZINC000277727554 510970806 /nfs/dbraw/zinc/97/08/06/510970806.db2.gz HKNYSINGSQNXTK-UHFFFAOYSA-N 1 2 350.400 2.790 20 30 FFEDLO CCN1CCN(C(=O)Nc2ccc3nc(C)oc3c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330354686 510972901 /nfs/dbraw/zinc/97/29/01/510972901.db2.gz PSAGCSMVGMWRQY-OAHLLOKOSA-N 1 2 354.414 2.784 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)CCCC2 ZINC000297520191 510976808 /nfs/dbraw/zinc/97/68/08/510976808.db2.gz VYXIOANIMHZXIP-UHFFFAOYSA-N 1 2 356.470 2.645 20 30 FFEDLO COc1cc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)ccc1C#N ZINC000282471698 510991582 /nfs/dbraw/zinc/99/15/82/510991582.db2.gz WJISEFULFVITBU-UHFFFAOYSA-N 1 2 353.397 2.664 20 30 FFEDLO Cc1nc(C(=O)NCC(C)(C)[NH+]2CCOCC2)c(Br)s1 ZINC000330653740 511005919 /nfs/dbraw/zinc/00/59/19/511005919.db2.gz RYDLQNUYKJTEDA-UHFFFAOYSA-N 1 2 362.293 2.629 20 30 FFEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000286935632 511036282 /nfs/dbraw/zinc/03/62/82/511036282.db2.gz IEQUWORVOYCEBE-YJBOKZPZSA-N 1 2 356.470 2.815 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)C(C)(C)CO ZINC000297723180 511046842 /nfs/dbraw/zinc/04/68/42/511046842.db2.gz RYUUJLPIGISMBG-AWEZNQCLSA-N 1 2 361.833 2.826 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cnc([C@H]4CCCO4)s3)CC2)c1 ZINC000271024475 511061405 /nfs/dbraw/zinc/06/14/05/511061405.db2.gz COHTZTIRQXAJJF-MRXNPFEDSA-N 1 2 355.467 2.583 20 30 FFEDLO Cc1nn2c(C[NH+]3CCN(c4ccccc4C#N)CC3)c(C)nc2s1 ZINC000271049321 511068486 /nfs/dbraw/zinc/06/84/86/511068486.db2.gz UKBCOWREWZJOPH-UHFFFAOYSA-N 1 2 352.467 2.602 20 30 FFEDLO C=CCCCCCCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000288262887 511068896 /nfs/dbraw/zinc/06/88/96/511068896.db2.gz PASPCADUJGLFKO-UHFFFAOYSA-N 1 2 373.497 2.710 20 30 FFEDLO COC(=O)c1c(NC(=O)C[NH2+][C@H]2CCC[C@H]2C#N)sc2c1CCCC2 ZINC000331628002 511069666 /nfs/dbraw/zinc/06/96/66/511069666.db2.gz PJMYCOAIBNVRCP-AAEUAGOBSA-N 1 2 361.467 2.634 20 30 FFEDLO C=C(C)CCc1noc([C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)n1 ZINC000289291541 511096801 /nfs/dbraw/zinc/09/68/01/511096801.db2.gz VDYBKGAVXHKOAW-RDTXWAMCSA-N 1 2 355.442 2.922 20 30 FFEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289287190 511096901 /nfs/dbraw/zinc/09/69/01/511096901.db2.gz AQQGTDILWUWREP-VIFPVBQESA-N 1 2 359.167 2.933 20 30 FFEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289287190 511096906 /nfs/dbraw/zinc/09/69/06/511096906.db2.gz AQQGTDILWUWREP-VIFPVBQESA-N 1 2 359.167 2.933 20 30 FFEDLO N#CCOc1ccc(/C=C/C(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000298110527 511178746 /nfs/dbraw/zinc/17/87/46/511178746.db2.gz PRCBOLFTWVRECD-VMPITWQZSA-N 1 2 351.406 2.540 20 30 FFEDLO C=CCN(C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1)C1CC1 ZINC000271472959 511216832 /nfs/dbraw/zinc/21/68/32/511216832.db2.gz RNXAXKRKMZOPKT-GOSISDBHSA-N 1 2 370.453 2.887 20 30 FFEDLO CC#CCN(C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000298375035 511262272 /nfs/dbraw/zinc/26/22/72/511262272.db2.gz QGWXZPWNGIYLKI-UHFFFAOYSA-N 1 2 363.259 2.612 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](CO)c3c(F)cccc3F)C2=O)cc1 ZINC000365110676 511263422 /nfs/dbraw/zinc/26/34/22/511263422.db2.gz QBOMAWMCNCVWNP-ZWKOTPCHSA-N 1 2 371.387 2.655 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC=C(c3cccnc3)C2)C1=O ZINC000298537122 511321067 /nfs/dbraw/zinc/32/10/67/511321067.db2.gz MUMBAVAEPHEPQC-QGZVFWFLSA-N 1 2 350.447 2.909 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC=C(c3cccnc3)C2)C1=O ZINC000298537122 511321073 /nfs/dbraw/zinc/32/10/73/511321073.db2.gz MUMBAVAEPHEPQC-QGZVFWFLSA-N 1 2 350.447 2.909 20 30 FFEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CSCc1ccc(C#N)cc1 ZINC000365401958 511428878 /nfs/dbraw/zinc/42/88/78/511428878.db2.gz HISGTDBGMWOBKT-UHFFFAOYSA-N 1 2 354.479 2.983 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292113714 511470932 /nfs/dbraw/zinc/47/09/32/511470932.db2.gz HHLQCBHLFCGIOV-IUODEOHRSA-N 1 2 372.375 2.712 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292113714 511470936 /nfs/dbraw/zinc/47/09/36/511470936.db2.gz HHLQCBHLFCGIOV-IUODEOHRSA-N 1 2 372.375 2.712 20 30 FFEDLO C[NH+](C)[C@H](CNC(=O)N1CCC(C)(C#N)CC1)c1c(F)cccc1F ZINC000272546094 511498647 /nfs/dbraw/zinc/49/86/47/511498647.db2.gz MRZDQICEHBYTDM-OAHLLOKOSA-N 1 2 350.413 2.903 20 30 FFEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(C#N)cc1Br)CCO2 ZINC000280534172 511501364 /nfs/dbraw/zinc/50/13/64/511501364.db2.gz SOUUWGWTQIQCFJ-WBMJQRKESA-N 1 2 351.244 2.701 20 30 FFEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(C#N)cc1Br)CCO2 ZINC000280534172 511501367 /nfs/dbraw/zinc/50/13/67/511501367.db2.gz SOUUWGWTQIQCFJ-WBMJQRKESA-N 1 2 351.244 2.701 20 30 FFEDLO N#Cc1ccccc1Oc1ccc(N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cc1 ZINC000348671135 511502433 /nfs/dbraw/zinc/50/24/33/511502433.db2.gz VRALVYZIRYCMOS-KRWDZBQOSA-N 1 2 373.372 2.741 20 30 FFEDLO CC[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1nc(C(F)(F)F)cs1 ZINC000273358353 511523778 /nfs/dbraw/zinc/52/37/78/511523778.db2.gz ZPJZXHWOBKJLFK-NSHDSACASA-N 1 2 373.404 2.859 20 30 FFEDLO N#Cc1c(Cl)nsc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280765951 511594063 /nfs/dbraw/zinc/59/40/63/511594063.db2.gz NWVDQPUTRJCAJL-CABCVRRESA-N 1 2 360.870 2.758 20 30 FFEDLO N#Cc1c(Cl)nsc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280765951 511594070 /nfs/dbraw/zinc/59/40/70/511594070.db2.gz NWVDQPUTRJCAJL-CABCVRRESA-N 1 2 360.870 2.758 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1 ZINC000296348977 511709018 /nfs/dbraw/zinc/70/90/18/511709018.db2.gz INIAISLQAVZULO-MRXNPFEDSA-N 1 2 367.453 2.951 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296531037 511784531 /nfs/dbraw/zinc/78/45/31/511784531.db2.gz UQSIGBFCMBRBNB-KRWDZBQOSA-N 1 2 352.438 2.725 20 30 FFEDLO COC(=O)c1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)n(C)c1C ZINC000366031599 511797488 /nfs/dbraw/zinc/79/74/88/511797488.db2.gz NRGRXVPUNDXAMV-LJQANCHMSA-N 1 2 353.422 2.565 20 30 FFEDLO COC(=O)c1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)n(C)c1C ZINC000366031599 511797491 /nfs/dbraw/zinc/79/74/91/511797491.db2.gz NRGRXVPUNDXAMV-LJQANCHMSA-N 1 2 353.422 2.565 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)[NH+]2CCOCC2)c1 ZINC000296614714 511820114 /nfs/dbraw/zinc/82/01/14/511820114.db2.gz PRKVYRHDIPLHCI-IHPCNDPISA-N 1 2 370.497 2.750 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000281409513 511836947 /nfs/dbraw/zinc/83/69/47/511836947.db2.gz MVFOBJZGUOHVEP-PKOBYXMFSA-N 1 2 354.454 2.712 20 30 FFEDLO CCOC(=O)c1nn(C)cc1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000274567793 511876064 /nfs/dbraw/zinc/87/60/64/511876064.db2.gz LFZIELPMXMJCHQ-UHFFFAOYSA-N 1 2 368.437 2.512 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000281528628 511879922 /nfs/dbraw/zinc/87/99/22/511879922.db2.gz LJEWLAUQASTPEA-FXAWDEMLSA-N 1 2 373.497 2.504 20 30 FFEDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000296758683 511885009 /nfs/dbraw/zinc/88/50/09/511885009.db2.gz PDBREMPKIPFDQH-CYBMUJFWSA-N 1 2 352.232 2.593 20 30 FFEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000296758683 511885015 /nfs/dbraw/zinc/88/50/15/511885015.db2.gz PDBREMPKIPFDQH-CYBMUJFWSA-N 1 2 352.232 2.593 20 30 FFEDLO N#Cc1ccc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c(Cl)c1 ZINC000274668724 511905394 /nfs/dbraw/zinc/90/53/94/511905394.db2.gz SACBFLOKGAXZTB-UHFFFAOYSA-N 1 2 355.829 2.956 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@@]3(CO)CCCc4ccccc43)o2)cc1 ZINC000281694989 511933245 /nfs/dbraw/zinc/93/32/45/511933245.db2.gz NJYGRORIYGMXBT-OAQYLSRUSA-N 1 2 360.417 2.922 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NCC2CCC(F)(F)CC2)CCO1 ZINC000328811633 511935195 /nfs/dbraw/zinc/93/51/95/511935195.db2.gz OPOSIJHHSNQAHJ-ZFWWWQNUSA-N 1 2 356.417 2.969 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC000328830680 511937914 /nfs/dbraw/zinc/93/79/14/511937914.db2.gz RDMPRPQOKZTVIK-SUNYJGFJSA-N 1 2 366.437 2.917 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC000328830680 511937917 /nfs/dbraw/zinc/93/79/17/511937917.db2.gz RDMPRPQOKZTVIK-SUNYJGFJSA-N 1 2 366.437 2.917 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@@H]2CCO[C@H]2C2CC2)C[C@H](C)O1 ZINC000328850800 511940744 /nfs/dbraw/zinc/94/07/44/511940744.db2.gz UTKSNKAQCDKRNF-ITKAJJHTSA-N 1 2 373.497 2.998 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@@H]2CCO[C@H]2C2CC2)C[C@H](C)O1 ZINC000328850800 511940747 /nfs/dbraw/zinc/94/07/47/511940747.db2.gz UTKSNKAQCDKRNF-ITKAJJHTSA-N 1 2 373.497 2.998 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCO[C@H]3C3CC3)CC2)cc1 ZINC000328854663 511941122 /nfs/dbraw/zinc/94/11/22/511941122.db2.gz WPXCUJJKSZSPJT-UXHICEINSA-N 1 2 373.497 2.684 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCC(C)(C)C#N ZINC000284965825 511948291 /nfs/dbraw/zinc/94/82/91/511948291.db2.gz XMJMJCCZWKKGMV-HNNXBMFYSA-N 1 2 361.490 2.954 20 30 FFEDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCSCC2)cc1N1CCCC1=O ZINC000328909298 511949057 /nfs/dbraw/zinc/94/90/57/511949057.db2.gz DPHBJZDDUZOZPZ-ZDUSSCGKSA-N 1 2 363.483 2.847 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)C[C@H]2CCCCO2)CCC(=O)N1C1CC1 ZINC000328918700 511950408 /nfs/dbraw/zinc/95/04/08/511950408.db2.gz AKSLZTIOKSHKNU-SPYBWZPUSA-N 1 2 360.458 2.530 20 30 FFEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3ccc(N4CCCCC4)nc3)C2)n1 ZINC000329027186 511969743 /nfs/dbraw/zinc/96/97/43/511969743.db2.gz KBYPGPLVEFLSDR-HNNXBMFYSA-N 1 2 370.457 2.841 20 30 FFEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(N4CCCCC4)nc3)C2)n1 ZINC000329027186 511969751 /nfs/dbraw/zinc/96/97/51/511969751.db2.gz KBYPGPLVEFLSDR-HNNXBMFYSA-N 1 2 370.457 2.841 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)c1cccnc1 ZINC000329052706 511974306 /nfs/dbraw/zinc/97/43/06/511974306.db2.gz LGYSQLAGWDTVDR-URKNILKWSA-N 1 2 367.453 2.770 20 30 FFEDLO CC(C)c1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c2cnn(C(C)C)c2n1 ZINC000329074357 511978211 /nfs/dbraw/zinc/97/82/11/511978211.db2.gz PFFAQBWOOPBKIW-AWEZNQCLSA-N 1 2 359.474 2.771 20 30 FFEDLO CC(C)c1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c2cnn(C(C)C)c2n1 ZINC000329074357 511978216 /nfs/dbraw/zinc/97/82/16/511978216.db2.gz PFFAQBWOOPBKIW-AWEZNQCLSA-N 1 2 359.474 2.771 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2ccc(C#N)c(F)c2)c1C ZINC000293479697 511979828 /nfs/dbraw/zinc/97/98/28/511979828.db2.gz QOIIPOAVYMKIAP-UHFFFAOYSA-N 1 2 363.414 2.539 20 30 FFEDLO COc1cccc(N2CC[C@H](CNC(=O)C3([NH+]4CCOCC4)CCC3)C2)c1 ZINC000329093551 511982251 /nfs/dbraw/zinc/98/22/51/511982251.db2.gz KFIFLCOVCATMEL-QGZVFWFLSA-N 1 2 373.497 2.733 20 30 FFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000329120285 511987643 /nfs/dbraw/zinc/98/76/43/511987643.db2.gz PSARCCPANZTJLH-VQIMIIECSA-N 1 2 356.426 2.560 20 30 FFEDLO CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)C1(C)C ZINC000329172543 511998480 /nfs/dbraw/zinc/99/84/80/511998480.db2.gz AGZXGRRWSIVHCT-VNQPRFMTSA-N 1 2 366.531 2.624 20 30 FFEDLO CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)C1(C)C ZINC000329172543 511998482 /nfs/dbraw/zinc/99/84/82/511998482.db2.gz AGZXGRRWSIVHCT-VNQPRFMTSA-N 1 2 366.531 2.624 20 30 FFEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000329190070 512001493 /nfs/dbraw/zinc/00/14/93/512001493.db2.gz RTXUCSQLRSNJRL-JFIYKMOQSA-N 1 2 373.501 2.614 20 30 FFEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CC(=O)N(C3CCCCC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000329190070 512001501 /nfs/dbraw/zinc/00/15/01/512001501.db2.gz RTXUCSQLRSNJRL-JFIYKMOQSA-N 1 2 373.501 2.614 20 30 FFEDLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000366402023 512002115 /nfs/dbraw/zinc/00/21/15/512002115.db2.gz SVIYPBZKXZFBBC-FUHWJXTLSA-N 1 2 353.466 2.666 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@H]1CCCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329212185 512006592 /nfs/dbraw/zinc/00/65/92/512006592.db2.gz HQAZBVMRRHSONJ-ZIFCJYIRSA-N 1 2 373.497 2.919 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@H]1CCCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329212185 512006597 /nfs/dbraw/zinc/00/65/97/512006597.db2.gz HQAZBVMRRHSONJ-ZIFCJYIRSA-N 1 2 373.497 2.919 20 30 FFEDLO O=C(CN1CCN(Cc2[nH]cc[nH+]2)CC1)N[C@H]1CCCc2ccccc21 ZINC000329259942 512015995 /nfs/dbraw/zinc/01/59/95/512015995.db2.gz AMGSZOWKSSFRKN-SFHVURJKSA-N 1 2 353.470 2.561 20 30 FFEDLO Cc1cc(NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)c[nH+]c1N1CCCC[C@H]1C ZINC000329361282 512033426 /nfs/dbraw/zinc/03/34/26/512033426.db2.gz YITDWFCTZGIUND-ZBFHGGJFSA-N 1 2 371.485 2.667 20 30 FFEDLO Cc1sc(=O)n(CC(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1C ZINC000329386375 512038156 /nfs/dbraw/zinc/03/81/56/512038156.db2.gz QJDCNVSJCNFEQU-CYBMUJFWSA-N 1 2 362.499 2.992 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1CCO[C@@H](C3CC3)C1)CC2 ZINC000329581048 512072729 /nfs/dbraw/zinc/07/27/29/512072729.db2.gz ACEBDZSLBVDYCR-QZTJIDSGSA-N 1 2 374.481 2.976 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1CCO[C@@H](C3CC3)C1)CC2 ZINC000329581048 512072734 /nfs/dbraw/zinc/07/27/34/512072734.db2.gz ACEBDZSLBVDYCR-QZTJIDSGSA-N 1 2 374.481 2.976 20 30 FFEDLO O=C1C[C@H](c2ccccc2)N(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CCN1 ZINC000329751153 512093348 /nfs/dbraw/zinc/09/33/48/512093348.db2.gz VKVWRUDHWXBMNO-RHSMWYFYSA-N 1 2 353.426 2.585 20 30 FFEDLO O=C1C[C@H](c2ccccc2)N(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CCN1 ZINC000329751153 512093351 /nfs/dbraw/zinc/09/33/51/512093351.db2.gz VKVWRUDHWXBMNO-RHSMWYFYSA-N 1 2 353.426 2.585 20 30 FFEDLO CCC[C@H]1CCc2nc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)sc2C1 ZINC000329795677 512098270 /nfs/dbraw/zinc/09/82/70/512098270.db2.gz WNYHFOGKZYHGIZ-AEGPPILISA-N 1 2 364.515 2.608 20 30 FFEDLO CCC[C@H]1CCc2nc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)sc2C1 ZINC000329795677 512098273 /nfs/dbraw/zinc/09/82/73/512098273.db2.gz WNYHFOGKZYHGIZ-AEGPPILISA-N 1 2 364.515 2.608 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000329804018 512099540 /nfs/dbraw/zinc/09/95/40/512099540.db2.gz LSKMEZBXQDMMGG-QXCFHYIPSA-N 1 2 372.513 2.878 20 30 FFEDLO C[C@@H]1CCC[C@H](C)N(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000329855832 512104361 /nfs/dbraw/zinc/10/43/61/512104361.db2.gz UHQQQBYYZRYNEW-CVEARBPZSA-N 1 2 373.501 2.525 20 30 FFEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)NC1CCCCCC1 ZINC000329896962 512106134 /nfs/dbraw/zinc/10/61/34/512106134.db2.gz CTIKKVMOSAGIMZ-HOCLYGCPSA-N 1 2 351.470 2.559 20 30 FFEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)c1 ZINC000373981033 512604513 /nfs/dbraw/zinc/60/45/13/512604513.db2.gz LOGRROHVQSMMIH-NRFANRHFSA-N 1 2 374.444 2.945 20 30 FFEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNc2nc3ccccn3c2C#N)on1 ZINC000367827911 512678843 /nfs/dbraw/zinc/67/88/43/512678843.db2.gz ZSJPBUOLLBTZNG-KBPBESRZSA-N 1 2 354.389 2.527 20 30 FFEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNc2nc3ccccn3c2C#N)on1 ZINC000367827911 512678849 /nfs/dbraw/zinc/67/88/49/512678849.db2.gz ZSJPBUOLLBTZNG-KBPBESRZSA-N 1 2 354.389 2.527 20 30 FFEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000376278168 512746009 /nfs/dbraw/zinc/74/60/09/512746009.db2.gz JVVSYJPCDGZDHE-IBGZPJMESA-N 1 2 359.433 2.701 20 30 FFEDLO N#CC1(NC(=O)c2[nH]nc3c2CCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000378494079 512789494 /nfs/dbraw/zinc/78/94/94/512789494.db2.gz KZPJGFMQYPVLFC-UHFFFAOYSA-N 1 2 363.465 2.577 20 30 FFEDLO N#CCCN(C(=O)CCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1)c1ccccc1 ZINC000378523724 512805953 /nfs/dbraw/zinc/80/59/53/512805953.db2.gz WMEPYCOEUMUHHM-QGZVFWFLSA-N 1 2 365.437 2.800 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCCc2c(cnn2C)C1 ZINC000411855999 512846881 /nfs/dbraw/zinc/84/68/81/512846881.db2.gz QIGIVCKONISIQH-HNNXBMFYSA-N 1 2 358.511 2.833 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCCc2c(cnn2C)C1 ZINC000411855999 512846887 /nfs/dbraw/zinc/84/68/87/512846887.db2.gz QIGIVCKONISIQH-HNNXBMFYSA-N 1 2 358.511 2.833 20 30 FFEDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000383071114 512880880 /nfs/dbraw/zinc/88/08/80/512880880.db2.gz MUPPQBAPXODIEM-KRWDZBQOSA-N 1 2 369.490 2.762 20 30 FFEDLO Cc1cc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000383071114 512880882 /nfs/dbraw/zinc/88/08/82/512880882.db2.gz MUPPQBAPXODIEM-KRWDZBQOSA-N 1 2 369.490 2.762 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000372472826 512892153 /nfs/dbraw/zinc/89/21/53/512892153.db2.gz LMNUEVJORYEHFS-GJZGRUSLSA-N 1 2 370.482 2.558 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000372472826 512892158 /nfs/dbraw/zinc/89/21/58/512892158.db2.gz LMNUEVJORYEHFS-GJZGRUSLSA-N 1 2 370.482 2.558 20 30 FFEDLO Cc1ccc(C2CC[NH+](CCS(=O)(=O)c3cccc(C#N)c3)CC2)cn1 ZINC000374694206 512959052 /nfs/dbraw/zinc/95/90/52/512959052.db2.gz NZIMGUNUWFDWQF-UHFFFAOYSA-N 1 2 369.490 2.915 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000408365986 513053419 /nfs/dbraw/zinc/05/34/19/513053419.db2.gz MLDAORDGAGWPNL-XJKCOSOUSA-N 1 2 361.511 2.918 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000408365986 513053422 /nfs/dbraw/zinc/05/34/22/513053422.db2.gz MLDAORDGAGWPNL-XJKCOSOUSA-N 1 2 361.511 2.918 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](n4cc(Cl)cn4)C3)o2)cc1 ZINC000368685000 513060400 /nfs/dbraw/zinc/06/04/00/513060400.db2.gz XTGQEVQGDFDLKT-HNNXBMFYSA-N 1 2 354.801 2.905 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](n4cc(Cl)cn4)C3)o2)cc1 ZINC000368685000 513060403 /nfs/dbraw/zinc/06/04/03/513060403.db2.gz XTGQEVQGDFDLKT-HNNXBMFYSA-N 1 2 354.801 2.905 20 30 FFEDLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000370730444 513074347 /nfs/dbraw/zinc/07/43/47/513074347.db2.gz OCXFIMGADXJBLV-JSGCOSHPSA-N 1 2 372.375 2.712 20 30 FFEDLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000370730444 513074351 /nfs/dbraw/zinc/07/43/51/513074351.db2.gz OCXFIMGADXJBLV-JSGCOSHPSA-N 1 2 372.375 2.712 20 30 FFEDLO COC(=O)[C@H](c1ccccc1C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428778026 513189443 /nfs/dbraw/zinc/18/94/43/513189443.db2.gz HXMXNWMYMRMMIX-LPHOPBHVSA-N 1 2 351.406 2.629 20 30 FFEDLO COC(=O)[C@H](c1ccccc1C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428778026 513189448 /nfs/dbraw/zinc/18/94/48/513189448.db2.gz HXMXNWMYMRMMIX-LPHOPBHVSA-N 1 2 351.406 2.629 20 30 FFEDLO CC(C)C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nc(-c2nc[nH]n2)no1 ZINC000421342908 513230466 /nfs/dbraw/zinc/23/04/66/513230466.db2.gz PETYPBVJQBLZIL-CQSZACIVSA-N 1 2 355.377 2.742 20 30 FFEDLO CC[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)c1[nH]cc[nH+]1 ZINC000450674787 513299738 /nfs/dbraw/zinc/29/97/38/513299738.db2.gz SQZVKZVSIJMUJZ-ZDUSSCGKSA-N 1 2 363.215 2.690 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429359070 513350702 /nfs/dbraw/zinc/35/07/02/513350702.db2.gz APQNAYXYDBSOPP-IYBDPMFKSA-N 1 2 373.497 2.913 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429359070 513350707 /nfs/dbraw/zinc/35/07/07/513350707.db2.gz APQNAYXYDBSOPP-IYBDPMFKSA-N 1 2 373.497 2.913 20 30 FFEDLO C=CCNC(=O)[C@H](C)[N@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000429363716 513352595 /nfs/dbraw/zinc/35/25/95/513352595.db2.gz KGDOJOFLUOUMHV-KRWDZBQOSA-N 1 2 365.477 2.515 20 30 FFEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000429363716 513352604 /nfs/dbraw/zinc/35/26/04/513352604.db2.gz KGDOJOFLUOUMHV-KRWDZBQOSA-N 1 2 365.477 2.515 20 30 FFEDLO CC(C)C[N@H+](Cc1nnn(CC(F)(F)F)n1)Cc1ccc(C#N)cc1 ZINC000440702102 513387405 /nfs/dbraw/zinc/38/74/05/513387405.db2.gz MZTFYSSDGLWJPV-UHFFFAOYSA-N 1 2 352.364 2.765 20 30 FFEDLO CC(C)C[N@@H+](Cc1nnn(CC(F)(F)F)n1)Cc1ccc(C#N)cc1 ZINC000440702102 513387414 /nfs/dbraw/zinc/38/74/14/513387414.db2.gz MZTFYSSDGLWJPV-UHFFFAOYSA-N 1 2 352.364 2.765 20 30 FFEDLO CCN(C[C@@H](O)COc1ccc(CCOC)cc1)c1cc(C)[nH+]cc1C#N ZINC000425269685 513485833 /nfs/dbraw/zinc/48/58/33/513485833.db2.gz RJFPXGLMXJAEIM-LJQANCHMSA-N 1 2 369.465 2.717 20 30 FFEDLO CCOC(=O)c1cnn(C2CC[NH+](Cc3ccc(F)cc3C#N)CC2)c1 ZINC000451210427 513593625 /nfs/dbraw/zinc/59/36/25/513593625.db2.gz SDPMVFMWDJBCQS-UHFFFAOYSA-N 1 2 356.401 2.908 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000425564783 513642571 /nfs/dbraw/zinc/64/25/71/513642571.db2.gz MKWGAGJVUKENJE-YJBOKZPZSA-N 1 2 363.889 2.758 20 30 FFEDLO N#CCC1(CNC(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC1 ZINC000430431795 513651956 /nfs/dbraw/zinc/65/19/56/513651956.db2.gz OPCNKCANPDGMME-UHFFFAOYSA-N 1 2 362.231 2.590 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)[C@H](C)C1 ZINC000425630009 513669918 /nfs/dbraw/zinc/66/99/18/513669918.db2.gz RHUXMXGPELGZGH-ZIFCJYIRSA-N 1 2 370.497 2.993 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)[C@H](C)C1 ZINC000425630009 513669920 /nfs/dbraw/zinc/66/99/20/513669920.db2.gz RHUXMXGPELGZGH-ZIFCJYIRSA-N 1 2 370.497 2.993 20 30 FFEDLO COc1cc(C[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)ccc1C#N ZINC000442799857 513782589 /nfs/dbraw/zinc/78/25/89/513782589.db2.gz LDSTYMPMURJALV-UHFFFAOYSA-N 1 2 371.387 2.803 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC34CCSCC4)CC2)cc1 ZINC000448579262 513791263 /nfs/dbraw/zinc/79/12/63/513791263.db2.gz SFASENJKDDJUON-GOSISDBHSA-N 1 2 355.507 2.736 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000422527504 513831973 /nfs/dbraw/zinc/83/19/73/513831973.db2.gz LYVYQMQRFLVNKB-ROUUACIJSA-N 1 2 366.465 2.767 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000426184379 513865918 /nfs/dbraw/zinc/86/59/18/513865918.db2.gz SZEYWMHRHURBSB-CYBMUJFWSA-N 1 2 363.845 2.814 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000426184379 513865927 /nfs/dbraw/zinc/86/59/27/513865927.db2.gz SZEYWMHRHURBSB-CYBMUJFWSA-N 1 2 363.845 2.814 20 30 FFEDLO C=CCOc1ccc(CC(=O)N2CC[NH2+][C@@H](c3ccccc3OC)C2)cc1 ZINC000451658200 513893644 /nfs/dbraw/zinc/89/36/44/513893644.db2.gz CHYAVTYXCPUGDJ-HXUWFJFHSA-N 1 2 366.461 2.976 20 30 FFEDLO Cc1cscc1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000426379406 513920854 /nfs/dbraw/zinc/92/08/54/513920854.db2.gz SXIHCZNAODDHCM-UHFFFAOYSA-N 1 2 354.479 2.956 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nnc(-c2ccccc2Cl)o1 ZINC000414112700 513978698 /nfs/dbraw/zinc/97/86/98/513978698.db2.gz AHVHQPQCZHPSCD-LLVKDONJSA-N 1 2 352.847 2.688 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nnc(-c2ccccc2Cl)o1 ZINC000414112700 513978700 /nfs/dbraw/zinc/97/87/00/513978700.db2.gz AHVHQPQCZHPSCD-LLVKDONJSA-N 1 2 352.847 2.688 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451876370 514038457 /nfs/dbraw/zinc/03/84/57/514038457.db2.gz XVRWLLIIESUXFD-ZIAGYGMSSA-N 1 2 368.403 2.701 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451876370 514038463 /nfs/dbraw/zinc/03/84/63/514038463.db2.gz XVRWLLIIESUXFD-ZIAGYGMSSA-N 1 2 368.403 2.701 20 30 FFEDLO C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000431982575 514057453 /nfs/dbraw/zinc/05/74/53/514057453.db2.gz BTHXPQILOLTYBB-JENIJYKNSA-N 1 2 358.486 2.830 20 30 FFEDLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC000420605859 514199118 /nfs/dbraw/zinc/19/91/18/514199118.db2.gz WBLSRXOXVANNSD-ZDUSSCGKSA-N 1 2 372.270 2.994 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000438104120 514307546 /nfs/dbraw/zinc/30/75/46/514307546.db2.gz WMDBPWRVWOVRHY-CYBMUJFWSA-N 1 2 350.401 2.679 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000438104120 514307555 /nfs/dbraw/zinc/30/75/55/514307555.db2.gz WMDBPWRVWOVRHY-CYBMUJFWSA-N 1 2 350.401 2.679 20 30 FFEDLO N#Cc1ccc(OCc2ccc(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)o2)cc1 ZINC000427988098 514367501 /nfs/dbraw/zinc/36/75/01/514367501.db2.gz DDOHQODPRWBVEP-OAHLLOKOSA-N 1 2 362.389 2.672 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000428040193 514382857 /nfs/dbraw/zinc/38/28/57/514382857.db2.gz VFABAEFOBUTKQT-CYBMUJFWSA-N 1 2 355.829 2.521 20 30 FFEDLO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC(C)(C)C#N ZINC000433283906 514443472 /nfs/dbraw/zinc/44/34/72/514443472.db2.gz DNYJIVLMFISCOE-UHFFFAOYSA-N 1 2 351.372 2.655 20 30 FFEDLO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC(C)(C)C#N ZINC000433283906 514443479 /nfs/dbraw/zinc/44/34/79/514443479.db2.gz DNYJIVLMFISCOE-UHFFFAOYSA-N 1 2 351.372 2.655 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)cc1OC ZINC000428381785 514461371 /nfs/dbraw/zinc/46/13/71/514461371.db2.gz PTHICLPJYQWGBD-OAHLLOKOSA-N 1 2 368.271 2.979 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H](O)C3(CC3)C2)cc1OC ZINC000428381785 514461376 /nfs/dbraw/zinc/46/13/76/514461376.db2.gz PTHICLPJYQWGBD-OAHLLOKOSA-N 1 2 368.271 2.979 20 30 FFEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000465942850 514528240 /nfs/dbraw/zinc/52/82/40/514528240.db2.gz NNMCHYWKFYGJEF-RTBURBONSA-N 1 2 370.497 2.579 20 30 FFEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000465942850 514528244 /nfs/dbraw/zinc/52/82/44/514528244.db2.gz NNMCHYWKFYGJEF-RTBURBONSA-N 1 2 370.497 2.579 20 30 FFEDLO Cn1c(C#N)ccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450232576 514555743 /nfs/dbraw/zinc/55/57/43/514555743.db2.gz MHWQYUPRWKAVHH-NVXWUHKLSA-N 1 2 360.820 2.864 20 30 FFEDLO Cn1c(C#N)ccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450232576 514555750 /nfs/dbraw/zinc/55/57/50/514555750.db2.gz MHWQYUPRWKAVHH-NVXWUHKLSA-N 1 2 360.820 2.864 20 30 FFEDLO C[C@H]([NH2+]Cc1nn(C)cc1I)c1ccc(C#N)cc1 ZINC000453384877 514617245 /nfs/dbraw/zinc/61/72/45/514617245.db2.gz UEMWEVFZCRAGKE-JTQLQIEISA-N 1 2 366.206 2.747 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(C3(c4cc(F)cc(C#N)c4)CC3)n2)C1 ZINC000508038960 514645122 /nfs/dbraw/zinc/64/51/22/514645122.db2.gz DRSTXZMADUHBLR-INIZCTEOSA-N 1 2 356.401 2.942 20 30 FFEDLO CC(C)[N@H+]1CCO[C@H](c2noc(C3(c4cc(F)cc(C#N)c4)CC3)n2)C1 ZINC000508038960 514645130 /nfs/dbraw/zinc/64/51/30/514645130.db2.gz DRSTXZMADUHBLR-INIZCTEOSA-N 1 2 356.401 2.942 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(C3(c4cc(F)cc(C#N)c4)CC3)n2)C1 ZINC000508038965 514645295 /nfs/dbraw/zinc/64/52/95/514645295.db2.gz DRSTXZMADUHBLR-MRXNPFEDSA-N 1 2 356.401 2.942 20 30 FFEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(C3(c4cc(F)cc(C#N)c4)CC3)n2)C1 ZINC000508038965 514645301 /nfs/dbraw/zinc/64/53/01/514645301.db2.gz DRSTXZMADUHBLR-MRXNPFEDSA-N 1 2 356.401 2.942 20 30 FFEDLO C[C@H]([C@H](C)NC(=O)Nc1ccc(CC#N)cc1Cl)[NH+]1CCOCC1 ZINC000455708393 514695422 /nfs/dbraw/zinc/69/54/22/514695422.db2.gz UDOBJSHGSUHNIK-QWHCGFSZSA-N 1 2 350.850 2.637 20 30 FFEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455796060 514744643 /nfs/dbraw/zinc/74/46/43/514744643.db2.gz OWRVPQXOUKEOIE-CQSZACIVSA-N 1 2 360.458 2.578 20 30 FFEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455796060 514744652 /nfs/dbraw/zinc/74/46/52/514744652.db2.gz OWRVPQXOUKEOIE-CQSZACIVSA-N 1 2 360.458 2.578 20 30 FFEDLO C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000508803865 514898049 /nfs/dbraw/zinc/89/80/49/514898049.db2.gz ZQWFWEAHXJRCQG-QGZVFWFLSA-N 1 2 373.888 2.695 20 30 FFEDLO C=CCCC1(C(=O)NCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC000476054694 514900766 /nfs/dbraw/zinc/90/07/66/514900766.db2.gz TXPHRBAGNBTWMS-UHFFFAOYSA-N 1 2 358.482 2.925 20 30 FFEDLO C=CCCC1(C(=O)NCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC000476054694 514900771 /nfs/dbraw/zinc/90/07/71/514900771.db2.gz TXPHRBAGNBTWMS-UHFFFAOYSA-N 1 2 358.482 2.925 20 30 FFEDLO N#Cc1ccc(NC(=O)C[NH+]2CCN(c3ccc4ccccc4n3)CC2)cc1 ZINC000485119883 514921700 /nfs/dbraw/zinc/92/17/00/514921700.db2.gz DPKXFHQIBBQLJF-UHFFFAOYSA-N 1 2 371.444 2.867 20 30 FFEDLO C=C(C)CCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000458619788 514959650 /nfs/dbraw/zinc/95/96/50/514959650.db2.gz SOQMFXAJQQQTED-DLBZAZTESA-N 1 2 351.878 2.977 20 30 FFEDLO C=C(C)CCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000458619788 514959660 /nfs/dbraw/zinc/95/96/60/514959660.db2.gz SOQMFXAJQQQTED-DLBZAZTESA-N 1 2 351.878 2.977 20 30 FFEDLO N#CCCC[C@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000458852960 515144563 /nfs/dbraw/zinc/14/45/63/515144563.db2.gz WJJJADVFHMWRME-OTWHNJEPSA-N 1 2 356.470 2.584 20 30 FFEDLO N#CCCC[C@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000458852960 515144572 /nfs/dbraw/zinc/14/45/72/515144572.db2.gz WJJJADVFHMWRME-OTWHNJEPSA-N 1 2 356.470 2.584 20 30 FFEDLO C[C@H](CCC#N)[NH+]1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000472770935 515392531 /nfs/dbraw/zinc/39/25/31/515392531.db2.gz LTFAEHBSXHDHFG-OAHLLOKOSA-N 1 2 371.872 2.700 20 30 FFEDLO C[C@@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000472778716 515393861 /nfs/dbraw/zinc/39/38/61/515393861.db2.gz ZJLMLYPRUJHSEZ-INIZCTEOSA-N 1 2 357.479 2.838 20 30 FFEDLO Cc1cc(Br)cn2cc(CNC(=O)c3ccc(C#N)o3)[nH+]c12 ZINC000499640023 515395780 /nfs/dbraw/zinc/39/57/80/515395780.db2.gz BZKJLFGOOPUUTQ-UHFFFAOYSA-N 1 2 359.183 2.800 20 30 FFEDLO N#Cc1cccc(NC(=O)CN2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000486249325 515400498 /nfs/dbraw/zinc/40/04/98/515400498.db2.gz IQYJCQWUYGGADZ-UHFFFAOYSA-N 1 2 368.868 2.968 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(-c4ncon4)cc3)CC2)cc1 ZINC000499735240 515432302 /nfs/dbraw/zinc/43/23/02/515432302.db2.gz PVDHHTHMWJASBS-UHFFFAOYSA-N 1 2 373.416 2.566 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000459382920 515514602 /nfs/dbraw/zinc/51/46/02/515514602.db2.gz TWWQINIHJNEXKU-UHFFFAOYSA-N 1 2 356.426 2.691 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cccc3ccccc32)C1=O ZINC000499937983 515523215 /nfs/dbraw/zinc/52/32/15/515523215.db2.gz INXNZWGRDXVECP-KXBFYZLASA-N 1 2 351.450 2.886 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2cccc3ccccc32)C1=O ZINC000499937983 515523224 /nfs/dbraw/zinc/52/32/24/515523224.db2.gz INXNZWGRDXVECP-KXBFYZLASA-N 1 2 351.450 2.886 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2c(CC)cccc2CC)C1=O ZINC000500002275 515554156 /nfs/dbraw/zinc/55/41/56/515554156.db2.gz SDEAYYOYUORDNY-YJBOKZPZSA-N 1 2 357.498 2.857 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2c(CC)cccc2CC)C1=O ZINC000500002275 515554165 /nfs/dbraw/zinc/55/41/65/515554165.db2.gz SDEAYYOYUORDNY-YJBOKZPZSA-N 1 2 357.498 2.857 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000468863476 515555869 /nfs/dbraw/zinc/55/58/69/515555869.db2.gz HYBJHQGVELPBRF-QGZVFWFLSA-N 1 2 368.481 2.738 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000468863355 515555880 /nfs/dbraw/zinc/55/58/80/515555880.db2.gz HYBJHQGVELPBRF-KRWDZBQOSA-N 1 2 368.481 2.738 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC3(CC2)OCCc2ccsc23)cc1 ZINC000492698542 515555963 /nfs/dbraw/zinc/55/59/63/515555963.db2.gz DCLFJZAVJWVVGV-QGZVFWFLSA-N 1 2 367.474 2.710 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000468911985 515578268 /nfs/dbraw/zinc/57/82/68/515578268.db2.gz LCAWJCZZIJWWCA-QGZVFWFLSA-N 1 2 356.388 2.677 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1C#N ZINC000505608142 515606514 /nfs/dbraw/zinc/60/65/14/515606514.db2.gz JLCBEOHTWGKRGW-BLLLJJGKSA-N 1 2 370.478 2.802 20 30 FFEDLO C[C@@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccc(Br)cc1 ZINC000510950190 515723875 /nfs/dbraw/zinc/72/38/75/515723875.db2.gz IWFXUWBYUUOSBU-GFCCVEGCSA-N 1 2 368.250 2.954 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)cc1 ZINC000506283077 515837715 /nfs/dbraw/zinc/83/77/15/515837715.db2.gz YCSQJGUSBAEYRR-UHFFFAOYSA-N 1 2 366.421 2.880 20 30 FFEDLO N#CC1(F)CCN(C(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CC1 ZINC000506551817 515916559 /nfs/dbraw/zinc/91/65/59/515916559.db2.gz ZMYHFMQHKDCWJH-UHFFFAOYSA-N 1 2 368.368 2.667 20 30 FFEDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000469727197 515939141 /nfs/dbraw/zinc/93/91/41/515939141.db2.gz DNPWRBDIJPIGAV-INIZCTEOSA-N 1 2 356.470 2.515 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000469727197 515939151 /nfs/dbraw/zinc/93/91/51/515939151.db2.gz DNPWRBDIJPIGAV-INIZCTEOSA-N 1 2 356.470 2.515 20 30 FFEDLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000464824585 515977204 /nfs/dbraw/zinc/97/72/04/515977204.db2.gz VPHGASSVSXLOGT-KRWDZBQOSA-N 1 2 369.446 2.721 20 30 FFEDLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000464824585 515977213 /nfs/dbraw/zinc/97/72/13/515977213.db2.gz VPHGASSVSXLOGT-KRWDZBQOSA-N 1 2 369.446 2.721 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)ncc1C#N ZINC000457571956 515981283 /nfs/dbraw/zinc/98/12/83/515981283.db2.gz ZCIUFULDGCDMRO-HNNXBMFYSA-N 1 2 370.403 2.934 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)ncc1C#N ZINC000457571956 515981289 /nfs/dbraw/zinc/98/12/89/515981289.db2.gz ZCIUFULDGCDMRO-HNNXBMFYSA-N 1 2 370.403 2.934 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000501192102 516012812 /nfs/dbraw/zinc/01/28/12/516012812.db2.gz OEQHPXFHHSDNQK-IAGOWNOFSA-N 1 2 369.490 2.842 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000501192102 516012818 /nfs/dbraw/zinc/01/28/18/516012818.db2.gz OEQHPXFHHSDNQK-IAGOWNOFSA-N 1 2 369.490 2.842 20 30 FFEDLO CC#CCCNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000483276350 516014675 /nfs/dbraw/zinc/01/46/75/516014675.db2.gz FJTHDWFSYLWXBV-UHFFFAOYSA-N 1 2 363.259 2.660 20 30 FFEDLO Cc1cc(C[NH+]2CCN(CC(=O)N(C)C3CCCCC3)CC2)ccc1C#N ZINC000487901772 516025070 /nfs/dbraw/zinc/02/50/70/516025070.db2.gz YWTVBOMKSJNFAN-UHFFFAOYSA-N 1 2 368.525 2.775 20 30 FFEDLO Cc1cc(CN2CC[NH+](CC(=O)N(C)C3CCCCC3)CC2)ccc1C#N ZINC000487901772 516025077 /nfs/dbraw/zinc/02/50/77/516025077.db2.gz YWTVBOMKSJNFAN-UHFFFAOYSA-N 1 2 368.525 2.775 20 30 FFEDLO Cc1cc(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)ncc1C#N ZINC000457711341 516088449 /nfs/dbraw/zinc/08/84/49/516088449.db2.gz OUTQWPNLNUMWRY-UHFFFAOYSA-N 1 2 371.444 2.899 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000507320695 516170743 /nfs/dbraw/zinc/17/07/43/516170743.db2.gz RSFITBDKJQXCIX-UHFFFAOYSA-N 1 2 374.488 2.528 20 30 FFEDLO CCN1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000474748885 516180107 /nfs/dbraw/zinc/18/01/07/516180107.db2.gz LHMSCZKPZPWLLS-ZWKOTPCHSA-N 1 2 366.469 2.843 20 30 FFEDLO COc1cc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)ccc1C#N ZINC000460593413 516198163 /nfs/dbraw/zinc/19/81/63/516198163.db2.gz SHNVXHDEABHDES-UHFFFAOYSA-N 1 2 360.417 2.671 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)Cc1ccc(CO)o1 ZINC000512225813 516202179 /nfs/dbraw/zinc/20/21/79/516202179.db2.gz GRAWNOLVOIHRGQ-AWEZNQCLSA-N 1 2 374.403 2.951 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)Cc1ccc(CO)o1 ZINC000512225813 516202186 /nfs/dbraw/zinc/20/21/86/516202186.db2.gz GRAWNOLVOIHRGQ-AWEZNQCLSA-N 1 2 374.403 2.951 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)NCc1cc(F)cc(F)c1)Cc1ccc(CO)o1 ZINC000512439216 516279635 /nfs/dbraw/zinc/27/96/35/516279635.db2.gz OYJNQUQSVCQSJW-UHFFFAOYSA-N 1 2 364.392 2.745 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)NCc1cc(F)cc(F)c1)Cc1ccc(CO)o1 ZINC000512439216 516279643 /nfs/dbraw/zinc/27/96/43/516279643.db2.gz OYJNQUQSVCQSJW-UHFFFAOYSA-N 1 2 364.392 2.745 20 30 FFEDLO COCC1(C#N)CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000497175090 516299075 /nfs/dbraw/zinc/29/90/75/516299075.db2.gz NJXMNXJNIKOSJX-UHFFFAOYSA-N 1 2 353.426 2.871 20 30 FFEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000507784036 516300224 /nfs/dbraw/zinc/30/02/24/516300224.db2.gz HRRQIIQYSNIJAP-UHFFFAOYSA-N 1 2 360.417 2.912 20 30 FFEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)c3cccc(C#N)c3C)CC2)cs1 ZINC000512733276 516338441 /nfs/dbraw/zinc/33/84/41/516338441.db2.gz KDOMKXINTQCNGG-UHFFFAOYSA-N 1 2 354.479 2.980 20 30 FFEDLO Cc1nc(C[N@H+]2CCCN(C(=O)c3cccc(C#N)c3C)CC2)cs1 ZINC000512733276 516338445 /nfs/dbraw/zinc/33/84/45/516338445.db2.gz KDOMKXINTQCNGG-UHFFFAOYSA-N 1 2 354.479 2.980 20 30 FFEDLO Cc1ccccc1[C@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528390049 516401159 /nfs/dbraw/zinc/40/11/59/516401159.db2.gz NOJIIRWQEKGLJO-OAQYLSRUSA-N 1 2 374.440 2.668 20 30 FFEDLO Cc1ccccc1[C@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528390049 516401169 /nfs/dbraw/zinc/40/11/69/516401169.db2.gz NOJIIRWQEKGLJO-OAQYLSRUSA-N 1 2 374.440 2.668 20 30 FFEDLO Cc1ccccc1[C@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000528395044 516406753 /nfs/dbraw/zinc/40/67/53/516406753.db2.gz ZTQSAGSFLGNBTB-GHTZIAJQSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1ccccc1[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000528395044 516406765 /nfs/dbraw/zinc/40/67/65/516406765.db2.gz ZTQSAGSFLGNBTB-GHTZIAJQSA-N 1 2 352.434 2.680 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)NCC(C)(C)CCC#N)CC1 ZINC000513141076 516490219 /nfs/dbraw/zinc/49/02/19/516490219.db2.gz MROPUPPNJWNHNO-UHFFFAOYSA-N 1 2 358.486 2.852 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000528522747 516501021 /nfs/dbraw/zinc/50/10/21/516501021.db2.gz WGSFURXMKOEQNF-RBUKOAKNSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000528522747 516501027 /nfs/dbraw/zinc/50/10/27/516501027.db2.gz WGSFURXMKOEQNF-RBUKOAKNSA-N 1 2 356.397 2.511 20 30 FFEDLO CC[N@H+](CC(=O)N1CCCCCC1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000513182509 516507653 /nfs/dbraw/zinc/50/76/53/516507653.db2.gz GICAHTATCIVSAN-INIZCTEOSA-N 1 2 356.470 2.610 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCCCCC1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000513182509 516507658 /nfs/dbraw/zinc/50/76/58/516507658.db2.gz GICAHTATCIVSAN-INIZCTEOSA-N 1 2 356.470 2.610 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H](N2CC[NH+](Cc3ccsc3)CC2)C1=O ZINC000536020538 516596785 /nfs/dbraw/zinc/59/67/85/516596785.db2.gz HZNOHXYUGYQONB-INIZCTEOSA-N 1 2 372.519 2.604 20 30 FFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000554742848 516615726 /nfs/dbraw/zinc/61/57/26/516615726.db2.gz HQVDRCUCEOPJNK-CYBMUJFWSA-N 1 2 367.902 2.505 20 30 FFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000554742848 516615733 /nfs/dbraw/zinc/61/57/33/516615733.db2.gz HQVDRCUCEOPJNK-CYBMUJFWSA-N 1 2 367.902 2.505 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000547970917 516665992 /nfs/dbraw/zinc/66/59/92/516665992.db2.gz YZNOJSMRPQRMLU-BLLLJJGKSA-N 1 2 359.495 2.672 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000547970917 516666002 /nfs/dbraw/zinc/66/60/02/516666002.db2.gz YZNOJSMRPQRMLU-BLLLJJGKSA-N 1 2 359.495 2.672 20 30 FFEDLO CC(C)OCc1nc([C@@H](C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)no1 ZINC000554969842 516727398 /nfs/dbraw/zinc/72/73/98/516727398.db2.gz ZDAXBSZYOKTRKA-CYBMUJFWSA-N 1 2 357.414 2.546 20 30 FFEDLO C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000514007899 516831991 /nfs/dbraw/zinc/83/19/91/516831991.db2.gz VJYWSPQFBGZBCU-INIZCTEOSA-N 1 2 372.488 2.999 20 30 FFEDLO CC(C)n1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000555344856 516893087 /nfs/dbraw/zinc/89/30/87/516893087.db2.gz QTSYISHPVWQOEB-UHFFFAOYSA-N 1 2 352.442 2.685 20 30 FFEDLO Cc1c2ccccc2sc1C(=O)N1CC[NH+](CCOCCC#N)CC1 ZINC000555377517 516906033 /nfs/dbraw/zinc/90/60/33/516906033.db2.gz OIMAHMGHPMVBSJ-UHFFFAOYSA-N 1 2 357.479 2.898 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(Cl)cc(F)c1Br ZINC000519161801 516906818 /nfs/dbraw/zinc/90/68/18/516906818.db2.gz OKWRZMCVWJKUNI-CYBMUJFWSA-N 1 2 362.630 2.815 20 30 FFEDLO CCC(C#N)(CC)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000529118424 516942633 /nfs/dbraw/zinc/94/26/33/516942633.db2.gz JEKYWCHCCYBEKO-UHFFFAOYSA-N 1 2 356.470 2.619 20 30 FFEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000544878379 516971971 /nfs/dbraw/zinc/97/19/71/516971971.db2.gz GNWMYUJNFRIOHF-HNNXBMFYSA-N 1 2 367.428 2.550 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(Cc3ccccc3)CC2)nc1 ZINC000514752961 517037723 /nfs/dbraw/zinc/03/77/23/517037723.db2.gz AVVPLJXSWJHPJA-UHFFFAOYSA-N 1 2 369.490 2.682 20 30 FFEDLO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000552274500 517173035 /nfs/dbraw/zinc/17/30/35/517173035.db2.gz XMPMIULVPUSBBP-ZDUSSCGKSA-N 1 2 360.401 2.834 20 30 FFEDLO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000552274500 517173042 /nfs/dbraw/zinc/17/30/42/517173042.db2.gz XMPMIULVPUSBBP-ZDUSSCGKSA-N 1 2 360.401 2.834 20 30 FFEDLO Cn1c2ccccc2nc1[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000525885689 517216039 /nfs/dbraw/zinc/21/60/39/517216039.db2.gz CDKLVNARHFAVDK-FQEVSTJZSA-N 1 2 373.460 2.815 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000532962996 517225107 /nfs/dbraw/zinc/22/51/07/517225107.db2.gz NLVDMXSNBDIIIJ-XQOXVSIASA-N 1 2 368.525 2.760 20 30 FFEDLO C=CCOc1ccc(C(=O)NCC2CC[NH+](CC(F)F)CC2)cc1OC ZINC000552377911 517228394 /nfs/dbraw/zinc/22/83/94/517228394.db2.gz BXHBSVKQSCJJNH-UHFFFAOYSA-N 1 2 368.424 2.967 20 30 FFEDLO CCOc1ccc(C(C)=O)cc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000545506119 517270806 /nfs/dbraw/zinc/27/08/06/517270806.db2.gz KOBSBKOOWOMQMF-UHFFFAOYSA-N 1 2 364.449 2.877 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCN(c4ccccc4)C3)CC2)cc1 ZINC000556126364 517277453 /nfs/dbraw/zinc/27/74/53/517277453.db2.gz UHGQXSYTBNIRMJ-OAQYLSRUSA-N 1 2 374.488 2.729 20 30 FFEDLO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1 ZINC000526058984 517320095 /nfs/dbraw/zinc/32/00/95/517320095.db2.gz JKIVRXNPILCPBP-MRXNPFEDSA-N 1 2 353.466 2.841 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000537856099 517381855 /nfs/dbraw/zinc/38/18/55/517381855.db2.gz APIHONMLNWLVDR-UHFFFAOYSA-N 1 2 354.204 2.946 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000537856099 517381864 /nfs/dbraw/zinc/38/18/64/517381864.db2.gz APIHONMLNWLVDR-UHFFFAOYSA-N 1 2 354.204 2.946 20 30 FFEDLO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1C#N ZINC000552880082 517424442 /nfs/dbraw/zinc/42/44/42/517424442.db2.gz QKTBUJLTQMGPNQ-NSHDSACASA-N 1 2 353.451 2.563 20 30 FFEDLO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1C#N ZINC000552880082 517424450 /nfs/dbraw/zinc/42/44/50/517424450.db2.gz QKTBUJLTQMGPNQ-NSHDSACASA-N 1 2 353.451 2.563 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545932627 517445521 /nfs/dbraw/zinc/44/55/21/517445521.db2.gz WXKMIRGVKJTFMK-YVEFUNNKSA-N 1 2 369.387 2.911 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCSc1ccc(Br)cc1 ZINC000520590143 517447273 /nfs/dbraw/zinc/44/72/73/517447273.db2.gz UEVDXFQVMOASJX-OAHLLOKOSA-N 1 2 370.316 2.891 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccccc3OCC3CC3)CC2)c1C#N ZINC000527066142 517484491 /nfs/dbraw/zinc/48/44/91/517484491.db2.gz PCIXSLPBIOTNQT-UHFFFAOYSA-N 1 2 365.481 2.711 20 30 FFEDLO C=C(C)Cn1c(-c2sccc2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000549292008 517497488 /nfs/dbraw/zinc/49/74/88/517497488.db2.gz RHPXOJGUEFJFGP-UHFFFAOYSA-N 1 2 361.515 2.660 20 30 FFEDLO C=CCOc1cccnc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000538236039 517516387 /nfs/dbraw/zinc/51/63/87/517516387.db2.gz CQWQBATWJJGUSJ-UHFFFAOYSA-N 1 2 352.369 2.901 20 30 FFEDLO C=CCOc1cccnc1C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000538252757 517525047 /nfs/dbraw/zinc/52/50/47/517525047.db2.gz MSRVQXLZXNQLRN-INIZCTEOSA-N 1 2 352.438 2.560 20 30 FFEDLO CC[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000546076216 517531096 /nfs/dbraw/zinc/53/10/96/517531096.db2.gz RTJVYJMTBGTMRO-LJQANCHMSA-N 1 2 369.490 2.843 20 30 FFEDLO CC[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000546076216 517531103 /nfs/dbraw/zinc/53/11/03/517531103.db2.gz RTJVYJMTBGTMRO-LJQANCHMSA-N 1 2 369.490 2.843 20 30 FFEDLO C[C@H](C#N)CN(CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)C1CC1 ZINC000533596184 517542285 /nfs/dbraw/zinc/54/22/85/517542285.db2.gz FXPIPWFBIIBHPH-MRXNPFEDSA-N 1 2 374.916 2.608 20 30 FFEDLO CCN(C(=O)[C@@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1)C1CCCCC1 ZINC000546210672 517599146 /nfs/dbraw/zinc/59/91/46/517599146.db2.gz XLRFQHPNVHAXNH-QGZVFWFLSA-N 1 2 369.513 2.645 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000563087319 517650885 /nfs/dbraw/zinc/65/08/85/517650885.db2.gz YPMJHICVASQDMG-YRXWBPOGSA-N 1 2 352.438 2.754 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)c1nc(NCC)[nH+]c(NC(C)(C)C)n1 ZINC000553335283 517651034 /nfs/dbraw/zinc/65/10/34/517651034.db2.gz WKMBISLBYLRQMY-UHFFFAOYSA-N 1 2 374.489 2.604 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)c1nc(NC(C)(C)C)nc(NCC)[nH+]1 ZINC000553335283 517651040 /nfs/dbraw/zinc/65/10/40/517651040.db2.gz WKMBISLBYLRQMY-UHFFFAOYSA-N 1 2 374.489 2.604 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)c1nc(NCC)nc(NC(C)(C)C)[nH+]1 ZINC000553335283 517651045 /nfs/dbraw/zinc/65/10/45/517651045.db2.gz WKMBISLBYLRQMY-UHFFFAOYSA-N 1 2 374.489 2.604 20 30 FFEDLO Cc1cccn2cc(-c3ccc(NC(=O)C(=O)N(C)CCC#N)cc3)[nH+]c12 ZINC000549716220 517669317 /nfs/dbraw/zinc/66/93/17/517669317.db2.gz PRYWTBXFJGKXIE-UHFFFAOYSA-N 1 2 361.405 2.620 20 30 FFEDLO N#CCCOCC[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000549770644 517700249 /nfs/dbraw/zinc/70/02/49/517700249.db2.gz UCBFQMJRBWZSIN-UHFFFAOYSA-N 1 2 356.253 2.681 20 30 FFEDLO CCN1CCN(c2ccc(C#N)cc2Br)C[C@H]1c1[nH]cc[nH+]1 ZINC000530375485 517736414 /nfs/dbraw/zinc/73/64/14/517736414.db2.gz DILAMRXMHUPTCO-HNNXBMFYSA-N 1 2 360.259 2.927 20 30 FFEDLO Cc1onc(CC(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1C#N ZINC000542786132 517742041 /nfs/dbraw/zinc/74/20/41/517742041.db2.gz YXXOUZRHBQLHFD-LJQANCHMSA-N 1 2 363.421 2.768 20 30 FFEDLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)Nc2sc3c(c2C#N)-c2ccccc2OC3)O1 ZINC000527558925 517753875 /nfs/dbraw/zinc/75/38/75/517753875.db2.gz XHZBJNJSAVMMQL-IAQYHMDHSA-N 1 2 369.446 2.837 20 30 FFEDLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)Nc2sc3c(c2C#N)-c2ccccc2OC3)O1 ZINC000527558925 517753878 /nfs/dbraw/zinc/75/38/78/517753878.db2.gz XHZBJNJSAVMMQL-IAQYHMDHSA-N 1 2 369.446 2.837 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1nc2ccccc2cc1Br ZINC000516774520 517839755 /nfs/dbraw/zinc/83/97/55/517839755.db2.gz UNJBXXYHIRHCIA-MRXNPFEDSA-N 1 2 361.243 2.571 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000542990734 517858014 /nfs/dbraw/zinc/85/80/14/517858014.db2.gz WDAWPLAMUGDYOS-OAHLLOKOSA-N 1 2 359.495 2.989 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCOCC2(CC2)C1 ZINC000542990734 517858021 /nfs/dbraw/zinc/85/80/21/517858021.db2.gz WDAWPLAMUGDYOS-OAHLLOKOSA-N 1 2 359.495 2.989 20 30 FFEDLO C[NH+](C)[C@H](CNS(=O)(=O)CC1(C#N)CCCC1)c1ccccc1Cl ZINC000546797971 517863105 /nfs/dbraw/zinc/86/31/05/517863105.db2.gz QKRMCAAIPWAUPN-MRXNPFEDSA-N 1 2 369.918 2.946 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)N(C)c1cc(Br)c(C#N)cc1F ZINC000563426537 517898205 /nfs/dbraw/zinc/89/82/05/517898205.db2.gz MRYJSYUWJOJXSH-NSHDSACASA-N 1 2 356.239 2.617 20 30 FFEDLO CC(C)N(C(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1)c1ccccc1 ZINC000546918887 517921903 /nfs/dbraw/zinc/92/19/03/517921903.db2.gz RGHKKQLJWANJFG-UHFFFAOYSA-N 1 2 363.465 2.517 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000534530272 517930058 /nfs/dbraw/zinc/93/00/58/517930058.db2.gz AJMYDJWLYVBRSL-INIZCTEOSA-N 1 2 361.854 2.677 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000534530272 517930068 /nfs/dbraw/zinc/93/00/68/517930068.db2.gz AJMYDJWLYVBRSL-INIZCTEOSA-N 1 2 361.854 2.677 20 30 FFEDLO CC(C)C[C@@](C)(C#N)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000534597097 517959461 /nfs/dbraw/zinc/95/94/61/517959461.db2.gz ICUHNUJMCCQWNI-FQEVSTJZSA-N 1 2 367.453 2.970 20 30 FFEDLO Cn1cc([C@@H]2CN(CCC(C)(C)C#N)CC[N@@H+]2CCC(C)(C)C#N)cn1 ZINC000543244889 517985529 /nfs/dbraw/zinc/98/55/29/517985529.db2.gz LBIUJPKMLNXIDZ-SFHVURJKSA-N 1 2 356.518 2.959 20 30 FFEDLO Cn1cc([C@@H]2CN(CCC(C)(C)C#N)CC[N@H+]2CCC(C)(C)C#N)cn1 ZINC000543244889 517985537 /nfs/dbraw/zinc/98/55/37/517985537.db2.gz LBIUJPKMLNXIDZ-SFHVURJKSA-N 1 2 356.518 2.959 20 30 FFEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000557474649 518023637 /nfs/dbraw/zinc/02/36/37/518023637.db2.gz RUFNJHBHKNUAFY-QGZVFWFLSA-N 1 2 373.416 2.741 20 30 FFEDLO N#Cc1csc(C[NH+]2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1 ZINC000535070543 518146108 /nfs/dbraw/zinc/14/61/08/518146108.db2.gz ZTGRNVPZBUPVLB-UHFFFAOYSA-N 1 2 365.462 2.988 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1C#N ZINC000535206459 518165871 /nfs/dbraw/zinc/16/58/71/518165871.db2.gz NLIXOFSWFSYUFK-CYBMUJFWSA-N 1 2 356.344 2.888 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1C#N ZINC000535206459 518165874 /nfs/dbraw/zinc/16/58/74/518165874.db2.gz NLIXOFSWFSYUFK-CYBMUJFWSA-N 1 2 356.344 2.888 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000566800326 518211227 /nfs/dbraw/zinc/21/12/27/518211227.db2.gz RKNKKLKABGLAPM-MRXNPFEDSA-N 1 2 366.252 2.753 20 30 FFEDLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000578466536 518223026 /nfs/dbraw/zinc/22/30/26/518223026.db2.gz HNCZDGZQKZHPJI-RDTXWAMCSA-N 1 2 373.453 2.949 20 30 FFEDLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000578466536 518223034 /nfs/dbraw/zinc/22/30/34/518223034.db2.gz HNCZDGZQKZHPJI-RDTXWAMCSA-N 1 2 373.453 2.949 20 30 FFEDLO COc1nc2ccccc2cc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000575736185 518256507 /nfs/dbraw/zinc/25/65/07/518256507.db2.gz KQHAWIOQTILGFI-UHFFFAOYSA-N 1 2 359.433 2.832 20 30 FFEDLO N#Cc1ccncc1N1CCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000569783513 518286749 /nfs/dbraw/zinc/28/67/49/518286749.db2.gz FDMNKMXZDPVJFA-UHFFFAOYSA-N 1 2 358.449 2.520 20 30 FFEDLO CC(C)c1ncc(C[N@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)cn1 ZINC000584448804 518346106 /nfs/dbraw/zinc/34/61/06/518346106.db2.gz RRMAREVHHFSIJE-HNNXBMFYSA-N 1 2 355.467 2.770 20 30 FFEDLO CC(C)c1ncc(C[N@@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)cn1 ZINC000584448804 518346109 /nfs/dbraw/zinc/34/61/09/518346109.db2.gz RRMAREVHHFSIJE-HNNXBMFYSA-N 1 2 355.467 2.770 20 30 FFEDLO CCOc1ccccc1OCC[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000564397846 518432125 /nfs/dbraw/zinc/43/21/25/518432125.db2.gz SKXYYNOLOZOUHZ-UHFFFAOYSA-N 1 2 372.494 2.923 20 30 FFEDLO CCc1ccc(-c2nc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cs2)cc1 ZINC000576111978 518434482 /nfs/dbraw/zinc/43/44/82/518434482.db2.gz RVJYLDHUYVFMJC-IBGZPJMESA-N 1 2 356.495 2.875 20 30 FFEDLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)c1C ZINC000570113864 518447258 /nfs/dbraw/zinc/44/72/58/518447258.db2.gz ALZZBGZNMJHPAW-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000564556243 518500652 /nfs/dbraw/zinc/50/06/52/518500652.db2.gz PVIMTEMHCBSWMU-SWLSCSKDSA-N 1 2 366.343 2.724 20 30 FFEDLO CC(C)Oc1cc(Br)cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000582006500 518543385 /nfs/dbraw/zinc/54/33/85/518543385.db2.gz LOYDKDMUMJRSCT-MRXNPFEDSA-N 1 2 368.275 2.810 20 30 FFEDLO COc1ccc(C[N@@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)cc1C#N ZINC000573239932 518570536 /nfs/dbraw/zinc/57/05/36/518570536.db2.gz YHKXXMPRCQUCLW-CALCHBBNSA-N 1 2 358.344 2.869 20 30 FFEDLO COc1ccc(C[N@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)cc1C#N ZINC000573239932 518570544 /nfs/dbraw/zinc/57/05/44/518570544.db2.gz YHKXXMPRCQUCLW-CALCHBBNSA-N 1 2 358.344 2.869 20 30 FFEDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)C[C@@H](C)O2 ZINC000564790472 518616971 /nfs/dbraw/zinc/61/69/71/518616971.db2.gz HGTDFOQPLJKJSZ-SXGZJXTBSA-N 1 2 368.437 2.767 20 30 FFEDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)C[C@@H](C)O2 ZINC000564790472 518616976 /nfs/dbraw/zinc/61/69/76/518616976.db2.gz HGTDFOQPLJKJSZ-SXGZJXTBSA-N 1 2 368.437 2.767 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000582299135 518687943 /nfs/dbraw/zinc/68/79/43/518687943.db2.gz VRPPMPVXYVNEBZ-LPHOPBHVSA-N 1 2 359.495 2.530 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000582299135 518687949 /nfs/dbraw/zinc/68/79/49/518687949.db2.gz VRPPMPVXYVNEBZ-LPHOPBHVSA-N 1 2 359.495 2.530 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2c(Br)cccc2cn1 ZINC000565052005 518762805 /nfs/dbraw/zinc/76/28/05/518762805.db2.gz UGXUPGWQNARENR-INIZCTEOSA-N 1 2 361.243 2.571 20 30 FFEDLO C[C@H](CC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)n1cc[nH+]c1 ZINC000576880834 518809131 /nfs/dbraw/zinc/80/91/31/518809131.db2.gz YUJJMVKROGNEPB-CQSZACIVSA-N 1 2 357.845 2.708 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cnccc2C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000582553162 518810450 /nfs/dbraw/zinc/81/04/50/518810450.db2.gz MATXRRDMKZKPTA-SJLPKXTDSA-N 1 2 374.366 2.936 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cnccc2C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000582553162 518810456 /nfs/dbraw/zinc/81/04/56/518810456.db2.gz MATXRRDMKZKPTA-SJLPKXTDSA-N 1 2 374.366 2.936 20 30 FFEDLO CC#CC[N@@H+](C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccco1 ZINC000573745924 518815858 /nfs/dbraw/zinc/81/58/58/518815858.db2.gz GSQQYBQEYNBKFO-IBGZPJMESA-N 1 2 365.433 2.921 20 30 FFEDLO CC#CC[N@H+](C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccco1 ZINC000573745924 518815869 /nfs/dbraw/zinc/81/58/69/518815869.db2.gz GSQQYBQEYNBKFO-IBGZPJMESA-N 1 2 365.433 2.921 20 30 FFEDLO C=CCC[C@H](C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1)c1ccccc1 ZINC000570934728 518850532 /nfs/dbraw/zinc/85/05/32/518850532.db2.gz QCFYZPADCMTASX-MOPGFXCFSA-N 1 2 367.493 2.907 20 30 FFEDLO N#Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)n1 ZINC000589410405 518996459 /nfs/dbraw/zinc/99/64/59/518996459.db2.gz FYRXZVNPZKOSSB-CQSZACIVSA-N 1 2 356.376 2.626 20 30 FFEDLO N#Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)n1 ZINC000589410405 518996464 /nfs/dbraw/zinc/99/64/64/518996464.db2.gz FYRXZVNPZKOSSB-CQSZACIVSA-N 1 2 356.376 2.626 20 30 FFEDLO N#Cc1cccc(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)n1 ZINC000589471281 519012421 /nfs/dbraw/zinc/01/24/21/519012421.db2.gz XKRDZPLQJBYSJA-UHFFFAOYSA-N 1 2 357.417 2.591 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C#N)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000589485402 519014707 /nfs/dbraw/zinc/01/47/07/519014707.db2.gz CCQQOTGTPJVKQE-YJBOKZPZSA-N 1 2 374.366 2.936 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)c2cccc(C#N)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000589485402 519014713 /nfs/dbraw/zinc/01/47/13/519014713.db2.gz CCQQOTGTPJVKQE-YJBOKZPZSA-N 1 2 374.366 2.936 20 30 FFEDLO CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)cc1 ZINC000577575412 519145893 /nfs/dbraw/zinc/14/58/93/519145893.db2.gz NIZXHRLNCNKEFW-MRXNPFEDSA-N 1 2 363.465 2.665 20 30 FFEDLO CCc1nsc(N2CCC[N@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)n1 ZINC000571568084 519160110 /nfs/dbraw/zinc/16/01/10/519160110.db2.gz JYFDSYPMOZSMTO-UHFFFAOYSA-N 1 2 372.454 2.593 20 30 FFEDLO CCc1nsc(N2CCC[N@@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)n1 ZINC000571568084 519160119 /nfs/dbraw/zinc/16/01/19/519160119.db2.gz JYFDSYPMOZSMTO-UHFFFAOYSA-N 1 2 372.454 2.593 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000590168893 519166178 /nfs/dbraw/zinc/16/61/78/519166178.db2.gz WFWFSUULPWKGHJ-AHRSYUTCSA-N 1 2 372.488 2.653 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000590298568 519191802 /nfs/dbraw/zinc/19/18/02/519191802.db2.gz RACAFYHCLCCIDQ-HNNXBMFYSA-N 1 2 355.463 2.628 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000590318001 519197894 /nfs/dbraw/zinc/19/78/94/519197894.db2.gz SOUGVGPHODWKCT-UHFFFAOYSA-N 1 2 357.479 2.610 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000577846779 519287997 /nfs/dbraw/zinc/28/79/97/519287997.db2.gz ZTQHSKDDIDYKIZ-SJORKVTESA-N 1 2 371.481 2.974 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000577846779 519288001 /nfs/dbraw/zinc/28/80/01/519288001.db2.gz ZTQHSKDDIDYKIZ-SJORKVTESA-N 1 2 371.481 2.974 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000590629481 519294339 /nfs/dbraw/zinc/29/43/39/519294339.db2.gz IXRHBOIAKFURDV-OAQYLSRUSA-N 1 2 353.466 2.813 20 30 FFEDLO Cc1c[nH+]c2cc(C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)ccn12 ZINC000571894447 519334275 /nfs/dbraw/zinc/33/42/75/519334275.db2.gz WURYWBVDDUXKSB-UHFFFAOYSA-N 1 2 363.396 2.616 20 30 FFEDLO Cn1cc[nH+]c1C[C@H](NS(=O)(=O)CC(C)(C)CC#N)c1ccccc1 ZINC000590748462 519347231 /nfs/dbraw/zinc/34/72/31/519347231.db2.gz ZSSDTXVKJUEMBL-INIZCTEOSA-N 1 2 360.483 2.563 20 30 FFEDLO N#Cc1cc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)ccc1OCC(F)(F)F ZINC000566291694 519415411 /nfs/dbraw/zinc/41/54/11/519415411.db2.gz KJELTJSDESPMEI-LLVKDONJSA-N 1 2 364.327 2.897 20 30 FFEDLO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1cnc2ccc(C#N)cn12 ZINC000572167228 519476766 /nfs/dbraw/zinc/47/67/66/519476766.db2.gz WMHGWBIBPSLGQO-UHFFFAOYSA-N 1 2 353.470 2.819 20 30 FFEDLO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1cnc2ccc(C#N)cn12 ZINC000572167228 519476774 /nfs/dbraw/zinc/47/67/74/519476774.db2.gz WMHGWBIBPSLGQO-UHFFFAOYSA-N 1 2 353.470 2.819 20 30 FFEDLO COC(=O)[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)C(C)(C)C ZINC000591018978 519479905 /nfs/dbraw/zinc/47/99/05/519479905.db2.gz ANWCJAQVCAYVTP-HNNXBMFYSA-N 1 2 363.483 2.614 20 30 FFEDLO C=CC[C@H]1N(C(=O)C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CCCC1(C)C ZINC000572200173 519490696 /nfs/dbraw/zinc/49/06/96/519490696.db2.gz LSHLZAULTGECRM-DLBZAZTESA-N 1 2 372.513 2.778 20 30 FFEDLO C=CCC[C@@H]1NC(=O)N([C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1=O ZINC000581241391 519594942 /nfs/dbraw/zinc/59/49/42/519594942.db2.gz QEUJHYFKHKTWFI-DYVFJYSZSA-N 1 2 363.408 2.816 20 30 FFEDLO C=CCC[C@@H]1NC(=O)N([C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1=O ZINC000581241391 519594946 /nfs/dbraw/zinc/59/49/46/519594946.db2.gz QEUJHYFKHKTWFI-DYVFJYSZSA-N 1 2 363.408 2.816 20 30 FFEDLO N#CCC(=O)N1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000581258400 519604209 /nfs/dbraw/zinc/60/42/09/519604209.db2.gz DABIHIYOLJKZOF-MRXNPFEDSA-N 1 2 362.271 2.884 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000566721851 519622359 /nfs/dbraw/zinc/62/23/59/519622359.db2.gz GCCDIBDZSCXYTJ-IKGGRYGDSA-N 1 2 358.417 2.681 20 30 FFEDLO C[C@@H]1C[NH+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C[C@@H](C)N1CC#N ZINC000602852606 519925657 /nfs/dbraw/zinc/92/56/57/519925657.db2.gz DDWMGSVNHWYOJR-XNJGSVPQSA-N 1 2 364.852 2.503 20 30 FFEDLO COc1cc(-c2nc(C[NH+]3C[C@@H](C)N(CC#N)[C@H](C)C3)cs2)ccc1O ZINC000602854430 519926943 /nfs/dbraw/zinc/92/69/43/519926943.db2.gz PCXJINCAEPUKAX-ZIAGYGMSSA-N 1 2 372.494 2.942 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](c3cccnc3)C2)C1=O ZINC000602854115 519927031 /nfs/dbraw/zinc/92/70/31/519927031.db2.gz NBLURIZCKPPQAS-DLBZAZTESA-N 1 2 352.463 3.000 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](c3cccnc3)C2)C1=O ZINC000602854115 519927036 /nfs/dbraw/zinc/92/70/36/519927036.db2.gz NBLURIZCKPPQAS-DLBZAZTESA-N 1 2 352.463 3.000 20 30 FFEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000591486971 519929913 /nfs/dbraw/zinc/92/99/13/519929913.db2.gz YLEWPTWYXIXLQI-INIZCTEOSA-N 1 2 369.490 2.990 20 30 FFEDLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000591486971 519929918 /nfs/dbraw/zinc/92/99/18/519929918.db2.gz YLEWPTWYXIXLQI-INIZCTEOSA-N 1 2 369.490 2.990 20 30 FFEDLO CC(C)C[C@H](NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602857310 519930022 /nfs/dbraw/zinc/93/00/22/519930022.db2.gz QPNFOLYCYODKNE-NSHGMRRFSA-N 1 2 356.514 2.808 20 30 FFEDLO CC(C)C[C@H](NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602857310 519930027 /nfs/dbraw/zinc/93/00/27/519930027.db2.gz QPNFOLYCYODKNE-NSHGMRRFSA-N 1 2 356.514 2.808 20 30 FFEDLO C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1cc2ccccc2o1 ZINC000602859405 519934145 /nfs/dbraw/zinc/93/41/45/519934145.db2.gz YBVQMONWAHKBGE-YVSFHVDLSA-N 1 2 368.481 2.917 20 30 FFEDLO C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1cc2ccccc2o1 ZINC000602859405 519934153 /nfs/dbraw/zinc/93/41/53/519934153.db2.gz YBVQMONWAHKBGE-YVSFHVDLSA-N 1 2 368.481 2.917 20 30 FFEDLO COCCOc1ccc(C(F)(F)F)cc1NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602864287 519936614 /nfs/dbraw/zinc/93/66/14/519936614.db2.gz QVHIVYDNOCYDLF-NSHDSACASA-N 1 2 359.348 2.561 20 30 FFEDLO CC(C)(C#N)C[C@@H](O)C[NH+]1CCC(c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000602878967 519944858 /nfs/dbraw/zinc/94/48/58/519944858.db2.gz WRVPWHFOVJPFOV-QGZVFWFLSA-N 1 2 353.470 2.952 20 30 FFEDLO N#Cc1ccc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)c(C(F)(F)F)c1 ZINC000594511084 520008631 /nfs/dbraw/zinc/00/86/31/520008631.db2.gz PKEGSRNCMNAZSK-ZDUSSCGKSA-N 1 2 351.332 2.836 20 30 FFEDLO N#Cc1c(-n2cccn2)cccc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000594548933 520021807 /nfs/dbraw/zinc/02/18/07/520021807.db2.gz KWENVIYFMWIQAL-UHFFFAOYSA-N 1 2 364.478 2.913 20 30 FFEDLO N#Cc1c(-n2cccn2)cccc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000594548933 520021809 /nfs/dbraw/zinc/02/18/09/520021809.db2.gz KWENVIYFMWIQAL-UHFFFAOYSA-N 1 2 364.478 2.913 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[NH2+]CC(F)(F)c2cccc(F)c2)cc1 ZINC000594718334 520110863 /nfs/dbraw/zinc/11/08/63/520110863.db2.gz OSICJKCDRXZEND-MRXNPFEDSA-N 1 2 350.340 2.819 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000609108753 520193130 /nfs/dbraw/zinc/19/31/30/520193130.db2.gz KOCPFLOFRCOHGJ-NRFANRHFSA-N 1 2 360.461 2.659 20 30 FFEDLO Cc1ccc2[nH+]c(CNC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)cn2c1 ZINC000609108430 520193621 /nfs/dbraw/zinc/19/36/21/520193621.db2.gz DDEJQAADAQUZED-IBGZPJMESA-N 1 2 359.433 2.800 20 30 FFEDLO CCOc1ccccc1C[N@H+](C)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000609121750 520198390 /nfs/dbraw/zinc/19/83/90/520198390.db2.gz SHCZWUNAIWWLDZ-GOSISDBHSA-N 1 2 363.417 2.721 20 30 FFEDLO CCOc1ccccc1C[N@@H+](C)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000609121750 520198398 /nfs/dbraw/zinc/19/83/98/520198398.db2.gz SHCZWUNAIWWLDZ-GOSISDBHSA-N 1 2 363.417 2.721 20 30 FFEDLO CC(C)(C)c1cccc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)c1 ZINC000594897720 520208820 /nfs/dbraw/zinc/20/88/20/520208820.db2.gz XKJVRIGVVBPOLZ-UHFFFAOYSA-N 1 2 365.477 2.898 20 30 FFEDLO C[N@@H+]1CCc2nc(NC(=O)c3cc4ccccc4n3CC#N)sc2C1 ZINC000609165289 520216855 /nfs/dbraw/zinc/21/68/55/520216855.db2.gz LMVCJZCXPFRZPV-UHFFFAOYSA-N 1 2 351.435 2.862 20 30 FFEDLO C[N@H+]1CCc2nc(NC(=O)c3cc4ccccc4n3CC#N)sc2C1 ZINC000609165289 520216862 /nfs/dbraw/zinc/21/68/62/520216862.db2.gz LMVCJZCXPFRZPV-UHFFFAOYSA-N 1 2 351.435 2.862 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000592144984 520222124 /nfs/dbraw/zinc/22/21/24/520222124.db2.gz LHEBTPIYXHATQU-OAHLLOKOSA-N 1 2 352.316 2.606 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000592144984 520222127 /nfs/dbraw/zinc/22/21/27/520222127.db2.gz LHEBTPIYXHATQU-OAHLLOKOSA-N 1 2 352.316 2.606 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000609193249 520225825 /nfs/dbraw/zinc/22/58/25/520225825.db2.gz WBZVTSUJZJOUJS-RUZDIDTESA-N 1 2 357.454 2.627 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149686 520226938 /nfs/dbraw/zinc/22/69/38/520226938.db2.gz UNKZCYHEIMYOIM-DJJJIMSYSA-N 1 2 372.494 2.566 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149686 520226944 /nfs/dbraw/zinc/22/69/44/520226944.db2.gz UNKZCYHEIMYOIM-DJJJIMSYSA-N 1 2 372.494 2.566 20 30 FFEDLO CC(C)c1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)C(C)C)cc1 ZINC000592148674 520227244 /nfs/dbraw/zinc/22/72/44/520227244.db2.gz YVVBDOCBHPZCJR-RTWAWAEBSA-N 1 2 357.498 2.974 20 30 FFEDLO CC(C)c1ccc([C@H](NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)C(C)C)cc1 ZINC000592148674 520227254 /nfs/dbraw/zinc/22/72/54/520227254.db2.gz YVVBDOCBHPZCJR-RTWAWAEBSA-N 1 2 357.498 2.974 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597941380 520340657 /nfs/dbraw/zinc/34/06/57/520340657.db2.gz OSCVIWDTGAMQIN-HNNXBMFYSA-N 1 2 350.422 2.637 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609537894 520347669 /nfs/dbraw/zinc/34/76/69/520347669.db2.gz HJDVAEUGURWZSP-PKOBYXMFSA-N 1 2 374.554 2.817 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N(C)[C@@H]2CCCc3ccccc32)CC1 ZINC000609539015 520350259 /nfs/dbraw/zinc/35/02/59/520350259.db2.gz PXQXJNZDLZWEHO-RTWAWAEBSA-N 1 2 368.525 2.688 20 30 FFEDLO N#Cc1cccc(OCCCCC(=O)N2CC(Oc3cc[nH+]cc3)C2)c1 ZINC000609551001 520355561 /nfs/dbraw/zinc/35/55/61/520355561.db2.gz UNZCCLOZYMTXNX-UHFFFAOYSA-N 1 2 351.406 2.792 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)nc1)c1ccc(Cl)cc1 ZINC000609641160 520392861 /nfs/dbraw/zinc/39/28/61/520392861.db2.gz CIQCPHISCNEKMJ-INIZCTEOSA-N 1 2 351.797 2.860 20 30 FFEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cn1 ZINC000609641195 520393506 /nfs/dbraw/zinc/39/35/06/520393506.db2.gz IQXPZPGPSXENQN-UHFFFAOYSA-N 1 2 374.366 2.930 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](C)C[C@H](C)C#N)c1CN(C)C[C@@H](C)C#N ZINC000595302632 520396819 /nfs/dbraw/zinc/39/68/19/520396819.db2.gz WJWGPQLFPXZTTA-CVEARBPZSA-N 1 2 356.470 2.656 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](C)C[C@H](C)C#N)c1CN(C)C[C@@H](C)C#N ZINC000595302632 520396825 /nfs/dbraw/zinc/39/68/25/520396825.db2.gz WJWGPQLFPXZTTA-CVEARBPZSA-N 1 2 356.470 2.656 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000600698010 520406035 /nfs/dbraw/zinc/40/60/35/520406035.db2.gz BQMFMXDRIZJEQQ-KRWDZBQOSA-N 1 2 361.873 2.578 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000600698010 520406038 /nfs/dbraw/zinc/40/60/38/520406038.db2.gz BQMFMXDRIZJEQQ-KRWDZBQOSA-N 1 2 361.873 2.578 20 30 FFEDLO CC(C)(C)c1ccc(C#N)c(NC[C@@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000613415932 520489572 /nfs/dbraw/zinc/48/95/72/520489572.db2.gz NFSSUCQCKGFTTN-IBGZPJMESA-N 1 2 360.527 2.871 20 30 FFEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000595470468 520492779 /nfs/dbraw/zinc/49/27/79/520492779.db2.gz VVYLIJBHDTXCRA-HOTGVXAUSA-N 1 2 355.816 2.946 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCn2c[nH+]cc2C1 ZINC000595492140 520505479 /nfs/dbraw/zinc/50/54/79/520505479.db2.gz VTBGHQRCXJRLCX-AWEZNQCLSA-N 1 2 355.467 2.732 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c(C(F)(F)F)c1 ZINC000595496316 520507290 /nfs/dbraw/zinc/50/72/90/520507290.db2.gz HGNCWHKRUMMWSO-LBPRGKRZSA-N 1 2 351.332 2.780 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c(C(F)(F)F)c1 ZINC000595496316 520507295 /nfs/dbraw/zinc/50/72/95/520507295.db2.gz HGNCWHKRUMMWSO-LBPRGKRZSA-N 1 2 351.332 2.780 20 30 FFEDLO Cc1cc(N(CCC#N)C(=O)CN2CCn3c[nH+]cc3C2)ccc1Cl ZINC000595495439 520508416 /nfs/dbraw/zinc/50/84/16/520508416.db2.gz QLQAYPKIFDYRIP-UHFFFAOYSA-N 1 2 357.845 2.607 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000595507036 520516571 /nfs/dbraw/zinc/51/65/71/520516571.db2.gz QWYQEOCKKSRLSL-IBGZPJMESA-N 1 2 364.440 2.531 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000595507036 520516582 /nfs/dbraw/zinc/51/65/82/520516582.db2.gz QWYQEOCKKSRLSL-IBGZPJMESA-N 1 2 364.440 2.531 20 30 FFEDLO Cc1ccc(CCC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1Cl ZINC000604538402 520593108 /nfs/dbraw/zinc/59/31/08/520593108.db2.gz GOGOBYKDNNQQLY-UHFFFAOYSA-N 1 2 363.889 2.656 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595617727 520596399 /nfs/dbraw/zinc/59/63/99/520596399.db2.gz JJAQBMARJWINKO-FOIQADDNSA-N 1 2 359.445 2.962 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595617727 520596409 /nfs/dbraw/zinc/59/64/09/520596409.db2.gz JJAQBMARJWINKO-FOIQADDNSA-N 1 2 359.445 2.962 20 30 FFEDLO N#CCCn1ncc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c1-c1ccccc1 ZINC000617602621 520603471 /nfs/dbraw/zinc/60/34/71/520603471.db2.gz KKXSBBRPGMHYJZ-UHFFFAOYSA-N 1 2 373.416 2.762 20 30 FFEDLO C[C@@H](C1CC1)N(C(=O)C[NH+]1CCN(c2ccsc2C#N)CC1)C1CC1 ZINC000595631626 520606976 /nfs/dbraw/zinc/60/69/76/520606976.db2.gz VQVIIEDAENHMIJ-AWEZNQCLSA-N 1 2 358.511 2.531 20 30 FFEDLO C[C@@H]1C[NH+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H](C)C1O ZINC000595742849 520691667 /nfs/dbraw/zinc/69/16/67/520691667.db2.gz JHFZNIQOSVUVCO-CHWSQXEVSA-N 1 2 361.511 2.776 20 30 FFEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)cc1F ZINC000595752998 520699310 /nfs/dbraw/zinc/69/93/10/520699310.db2.gz OAFIGTNYCASCPZ-QGZVFWFLSA-N 1 2 358.417 2.627 20 30 FFEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)CCC#N)cc1F ZINC000595752998 520699318 /nfs/dbraw/zinc/69/93/18/520699318.db2.gz OAFIGTNYCASCPZ-QGZVFWFLSA-N 1 2 358.417 2.627 20 30 FFEDLO C[C@@H](CC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)n1cc[nH+]c1 ZINC000593044796 520703424 /nfs/dbraw/zinc/70/34/24/520703424.db2.gz LSFMQAZHOBFPFR-HNNXBMFYSA-N 1 2 365.437 2.583 20 30 FFEDLO CCOC(=O)c1nc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cs1 ZINC000595775378 520716274 /nfs/dbraw/zinc/71/62/74/520716274.db2.gz VOILLDXUGQNCNO-UHFFFAOYSA-N 1 2 371.462 2.987 20 30 FFEDLO COCCN(CCC#N)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000610557771 520737736 /nfs/dbraw/zinc/73/77/36/520737736.db2.gz KDQBQBYCYPMOEI-IAGOWNOFSA-N 1 2 374.485 2.690 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595828233 520751735 /nfs/dbraw/zinc/75/17/35/520751735.db2.gz JDQVMQLZVPJJOY-ZDUSSCGKSA-N 1 2 362.271 2.765 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595828233 520751745 /nfs/dbraw/zinc/75/17/45/520751745.db2.gz JDQVMQLZVPJJOY-ZDUSSCGKSA-N 1 2 362.271 2.765 20 30 FFEDLO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CC[C@@](C)(C#N)C2)c(OC)c1 ZINC000595837465 520757493 /nfs/dbraw/zinc/75/74/93/520757493.db2.gz HKCKLIWUTLAKIV-XLIONFOSSA-N 1 2 357.454 2.603 20 30 FFEDLO COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CC[C@@](C)(C#N)C2)c(OC)c1 ZINC000595837465 520757499 /nfs/dbraw/zinc/75/74/99/520757499.db2.gz HKCKLIWUTLAKIV-XLIONFOSSA-N 1 2 357.454 2.603 20 30 FFEDLO Cc1sc(NC(=O)C[NH2+][C@H](CO)c2ccc(F)cc2F)c(C#N)c1C ZINC000595867383 520779137 /nfs/dbraw/zinc/77/91/37/520779137.db2.gz MENWRUTUXSCMBO-OAHLLOKOSA-N 1 2 365.405 2.777 20 30 FFEDLO N#CC1(CC[N@H+]2CCc3sc(S(N)(=O)=O)cc3C2)CCCCC1 ZINC000595886653 520794354 /nfs/dbraw/zinc/79/43/54/520794354.db2.gz YQRNTFRJUYVZRM-UHFFFAOYSA-N 1 2 353.513 2.618 20 30 FFEDLO N#CC1(CC[N@@H+]2CCc3sc(S(N)(=O)=O)cc3C2)CCCCC1 ZINC000595886653 520794360 /nfs/dbraw/zinc/79/43/60/520794360.db2.gz YQRNTFRJUYVZRM-UHFFFAOYSA-N 1 2 353.513 2.618 20 30 FFEDLO C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@](C)(C(F)F)O1 ZINC000595913510 520818734 /nfs/dbraw/zinc/81/87/34/520818734.db2.gz FLGISEVEGMHQEA-VVFCZOMOSA-N 1 2 363.408 2.798 20 30 FFEDLO C[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@](C)(C(F)F)O1 ZINC000595913510 520818740 /nfs/dbraw/zinc/81/87/40/520818740.db2.gz FLGISEVEGMHQEA-VVFCZOMOSA-N 1 2 363.408 2.798 20 30 FFEDLO N#CCCN1CC[NH+](Cc2ccc(OCc3ccccc3F)nc2)CC1 ZINC000614177342 520836865 /nfs/dbraw/zinc/83/68/65/520836865.db2.gz QWGCRARMKMJNTA-UHFFFAOYSA-N 1 2 354.429 2.831 20 30 FFEDLO C[C@@H](c1ccc(NC(=O)c2cc(O)cc(C#N)c2)cc1)[NH+]1CCOCC1 ZINC000614366595 520927817 /nfs/dbraw/zinc/92/78/17/520927817.db2.gz SSPPPSOLRYWSHS-AWEZNQCLSA-N 1 2 351.406 2.909 20 30 FFEDLO CO[C@H]1CN(c2[nH+]c(C)cc(N3CC[C@H](C)[C@H](OC)C3)c2C#N)CC[C@@H]1C ZINC000596202791 520967777 /nfs/dbraw/zinc/96/77/77/520967777.db2.gz ISMOCHXPMFJCMS-QPAVJXABSA-N 1 2 372.513 2.984 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000611074425 520972114 /nfs/dbraw/zinc/97/21/14/520972114.db2.gz RPKPIIMTRMRMMU-HBGVWJBISA-N 1 2 355.482 2.603 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000611074425 520972124 /nfs/dbraw/zinc/97/21/24/520972124.db2.gz RPKPIIMTRMRMMU-HBGVWJBISA-N 1 2 355.482 2.603 20 30 FFEDLO N#CCc1ccccc1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601852251 520988616 /nfs/dbraw/zinc/98/86/16/520988616.db2.gz VELBFKKHUGTPTM-UHFFFAOYSA-N 1 2 352.463 2.631 20 30 FFEDLO Cc1ncc([C@H](C)[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c(C)n1 ZINC000614524290 521010817 /nfs/dbraw/zinc/01/08/17/521010817.db2.gz FMZABPFYTNVPRK-ZDUSSCGKSA-N 1 2 352.442 2.714 20 30 FFEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cn1 ZINC000611209327 521038947 /nfs/dbraw/zinc/03/89/47/521038947.db2.gz YHZINOZWBNZIAW-NGEICVOHSA-N 1 2 358.486 2.841 20 30 FFEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cn1 ZINC000611209327 521038952 /nfs/dbraw/zinc/03/89/52/521038952.db2.gz YHZINOZWBNZIAW-NGEICVOHSA-N 1 2 358.486 2.841 20 30 FFEDLO Cc1ccc(C#N)c(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)n1 ZINC000611227569 521047376 /nfs/dbraw/zinc/04/73/76/521047376.db2.gz UHILRHVPGBWGAN-GOSISDBHSA-N 1 2 356.857 2.771 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c(OC)c1 ZINC000611259650 521064675 /nfs/dbraw/zinc/06/46/75/521064675.db2.gz AHYWXMTVRGMYJR-UHFFFAOYSA-N 1 2 368.437 2.763 20 30 FFEDLO Cc1ccncc1[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000611301949 521089329 /nfs/dbraw/zinc/08/93/29/521089329.db2.gz PWHHQACWZPWOKG-KRWDZBQOSA-N 1 2 363.465 2.850 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000593621130 521112813 /nfs/dbraw/zinc/11/28/13/521112813.db2.gz NVBWSVPJGYFZPF-OWCLPIDISA-N 1 2 373.478 2.823 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000593621130 521112821 /nfs/dbraw/zinc/11/28/21/521112821.db2.gz NVBWSVPJGYFZPF-OWCLPIDISA-N 1 2 373.478 2.823 20 30 FFEDLO CN(C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)[C@H]1CCC[C@@H]1C#N ZINC000602067233 521119434 /nfs/dbraw/zinc/11/94/34/521119434.db2.gz LROWWUJWSINPFY-CJNGLKHVSA-N 1 2 365.437 2.540 20 30 FFEDLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@H](O)COc1ccccc1C#N ZINC000599303272 521136803 /nfs/dbraw/zinc/13/68/03/521136803.db2.gz ADNAOQSBGUZWDQ-LBPRGKRZSA-N 1 2 371.384 2.905 20 30 FFEDLO C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@H](O)COc1ccccc1C#N ZINC000599303272 521136815 /nfs/dbraw/zinc/13/68/15/521136815.db2.gz ADNAOQSBGUZWDQ-LBPRGKRZSA-N 1 2 371.384 2.905 20 30 FFEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000614924800 521194482 /nfs/dbraw/zinc/19/44/82/521194482.db2.gz MMBGEDXGBIPGOO-NVXWUHKLSA-N 1 2 367.371 2.707 20 30 FFEDLO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000614924800 521194487 /nfs/dbraw/zinc/19/44/87/521194487.db2.gz MMBGEDXGBIPGOO-NVXWUHKLSA-N 1 2 367.371 2.707 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1 ZINC000611550631 521213764 /nfs/dbraw/zinc/21/37/64/521213764.db2.gz IBQVGTGFMFAQGL-HXUWFJFHSA-N 1 2 367.424 2.995 20 30 FFEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551862 521215854 /nfs/dbraw/zinc/21/58/54/521215854.db2.gz VZLFKRKUIUVWLV-HLIPFELVSA-N 1 2 372.488 2.797 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596733840 521252360 /nfs/dbraw/zinc/25/23/60/521252360.db2.gz LDDNWLFPINSTKY-CVEARBPZSA-N 1 2 374.510 2.877 20 30 FFEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CC2(C#N)CCCCC2)CC1 ZINC000596778465 521278938 /nfs/dbraw/zinc/27/89/38/521278938.db2.gz JVNKBHTWTIQRLE-UHFFFAOYSA-N 1 2 368.481 2.877 20 30 FFEDLO N#CC1(CNC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)CCC1 ZINC000602328344 521282955 /nfs/dbraw/zinc/28/29/55/521282955.db2.gz XQTJVNCJFWKYKE-UHFFFAOYSA-N 1 2 351.454 2.689 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1 ZINC000602335087 521287617 /nfs/dbraw/zinc/28/76/17/521287617.db2.gz UQMQTMRGMLFNQU-BHYGNILZSA-N 1 2 364.287 2.687 20 30 FFEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599588799 521314461 /nfs/dbraw/zinc/31/44/61/521314461.db2.gz KVBZWUVFNAKWIL-WMLDXEAASA-N 1 2 357.454 2.796 20 30 FFEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599588799 521314468 /nfs/dbraw/zinc/31/44/68/521314468.db2.gz KVBZWUVFNAKWIL-WMLDXEAASA-N 1 2 357.454 2.796 20 30 FFEDLO N#Cc1cc(CN(CC[NH+]2CCOCC2)c2ccccc2Cl)ccn1 ZINC000599615420 521334517 /nfs/dbraw/zinc/33/45/17/521334517.db2.gz ZPKLJJJPRCDDLN-UHFFFAOYSA-N 1 2 356.857 2.945 20 30 FFEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@](F)(C#N)C2)c(C)c1 ZINC000615593401 521459761 /nfs/dbraw/zinc/45/97/61/521459761.db2.gz YJXAQTLHWBVVJU-HKUYNNGSSA-N 1 2 355.417 2.888 20 30 FFEDLO COc1cc(NC(=O)N2CCN(c3c[nH+]ccc3C)CC2)c(F)cc1C#N ZINC000599811745 521486744 /nfs/dbraw/zinc/48/67/44/521486744.db2.gz DEAIIZBLYWGJKB-UHFFFAOYSA-N 1 2 369.400 2.764 20 30 FFEDLO Cc1c(Br)cncc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000597087937 521493779 /nfs/dbraw/zinc/49/37/79/521493779.db2.gz WVDWKUPQAPZBQQ-UHFFFAOYSA-N 1 2 372.270 2.741 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@](C)(C#N)C1)c1cccc(F)c1 ZINC000612359691 521591508 /nfs/dbraw/zinc/59/15/08/521591508.db2.gz VNOXGUSPLRQPIQ-VQIMIIECSA-N 1 2 355.417 2.984 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccc(CC#N)c1 ZINC000619483174 521591665 /nfs/dbraw/zinc/59/16/65/521591665.db2.gz XPMIJIOQFXHONZ-QGZVFWFLSA-N 1 2 369.490 2.648 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccc(CC#N)c1 ZINC000619483174 521591670 /nfs/dbraw/zinc/59/16/70/521591670.db2.gz XPMIJIOQFXHONZ-QGZVFWFLSA-N 1 2 369.490 2.648 20 30 FFEDLO C=C[C@H](Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1)C(=O)OC ZINC000619687039 521825087 /nfs/dbraw/zinc/82/50/87/521825087.db2.gz KMXBVECLXAPEAZ-FZMZJTMJSA-N 1 2 364.446 2.849 20 30 FFEDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000626155517 521976849 /nfs/dbraw/zinc/97/68/49/521976849.db2.gz QNZRQEQAIRAOAJ-KRWDZBQOSA-N 1 2 366.465 2.728 20 30 FFEDLO CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000626155517 521976856 /nfs/dbraw/zinc/97/68/56/521976856.db2.gz QNZRQEQAIRAOAJ-KRWDZBQOSA-N 1 2 366.465 2.728 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)cc1OC ZINC000628241661 523435913 /nfs/dbraw/zinc/43/59/13/523435913.db2.gz DFVUAWLRPZMYQL-IUODEOHRSA-N 1 2 352.862 2.999 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)cc1OC ZINC000628241661 523435926 /nfs/dbraw/zinc/43/59/26/523435926.db2.gz DFVUAWLRPZMYQL-IUODEOHRSA-N 1 2 352.862 2.999 20 30 FFEDLO Cc1cc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)ncc1C#N ZINC000603119421 553712575 /nfs/dbraw/zinc/71/25/75/553712575.db2.gz LAQITXSBTXBFEU-HNNXBMFYSA-N 1 2 350.426 2.567 20 30 FFEDLO C=CCNc1ncc(C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)s1 ZINC000512047350 561890241 /nfs/dbraw/zinc/89/02/41/561890241.db2.gz QMCFUAFLKMHKEX-INIZCTEOSA-N 1 2 356.495 2.740 20 30 FFEDLO C=CCNc1ncc(C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)s1 ZINC000512047350 561890242 /nfs/dbraw/zinc/89/02/42/561890242.db2.gz QMCFUAFLKMHKEX-INIZCTEOSA-N 1 2 356.495 2.740 20 30 FFEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)n1 ZINC000512121419 561893148 /nfs/dbraw/zinc/89/31/48/561893148.db2.gz YUOGTQHHSYNPHR-UHFFFAOYSA-N 1 2 373.351 2.716 20 30 FFEDLO c1ccc2c(NN=C3CCCc4cc(-c5nn[nH]n5)ccc43)cc[nH+]c2c1 ZINC000823796549 599341074 /nfs/dbraw/zinc/34/10/74/599341074.db2.gz DAOPGYDVBKLOPC-UHFFFAOYSA-N 1 2 355.405 2.989 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3CNC(=O)[O-])CC2)cc1 ZINC000833972065 606007982 /nfs/dbraw/zinc/00/79/82/606007982.db2.gz UGLOEKGQQLDBOR-UYAOXDASSA-N 1 2 370.497 2.939 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H]3CNC(=O)[O-])CC2)cc1 ZINC000833971273 606008173 /nfs/dbraw/zinc/00/81/73/606008173.db2.gz CPTZIRCCLUZYLX-MJGOQNOKSA-N 1 2 356.470 2.549 20 30 FFEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)c1cccc(C#N)c1 ZINC000824633243 608483708 /nfs/dbraw/zinc/48/37/08/608483708.db2.gz IWISYZQGLSEZJC-LBPRGKRZSA-N 1 2 372.392 2.639 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000156283924 728847138 /nfs/dbraw/zinc/84/71/38/728847138.db2.gz CBPKPFSGBMBIBJ-UHFFFAOYSA-N 1 2 358.467 2.671 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000071965290 728209894 /nfs/dbraw/zinc/20/98/94/728209894.db2.gz ZZYPCAKXDCKZLA-GFCCVEGCSA-N 1 2 361.829 2.863 20 30 FFEDLO C#CCCCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000152099241 728747915 /nfs/dbraw/zinc/74/79/15/728747915.db2.gz RRFPOKLEYYCKBV-ZWKOTPCHSA-N 1 2 363.889 2.814 20 30 FFEDLO C#CCCCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152099241 728747916 /nfs/dbraw/zinc/74/79/16/728747916.db2.gz RRFPOKLEYYCKBV-ZWKOTPCHSA-N 1 2 363.889 2.814 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000172179828 729020889 /nfs/dbraw/zinc/02/08/89/729020889.db2.gz BIODLCDTXMUNPX-UHFFFAOYSA-N 1 2 352.419 2.531 20 30 FFEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(NS(C)(=O)=O)cc3)c[nH+]c12 ZINC000255460809 729640616 /nfs/dbraw/zinc/64/06/16/729640616.db2.gz ZHYBUWARSXKHRZ-KTKRTIGZSA-N 1 2 355.419 2.910 20 30 FFEDLO CC[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1cccc(C#N)c1O ZINC000924784279 738448943 /nfs/dbraw/zinc/44/89/43/738448943.db2.gz SPOMYJBAHGTNRQ-SFHVURJKSA-N 1 2 358.463 2.920 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)nn1 ZINC000640958409 730189032 /nfs/dbraw/zinc/18/90/32/730189032.db2.gz UBLVIUSBWCARLC-GFCCVEGCSA-N 1 2 356.817 2.704 20 30 FFEDLO CC#CC[C@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000641768934 730250916 /nfs/dbraw/zinc/25/09/16/730250916.db2.gz MBISTWCYQFMISO-OAHLLOKOSA-N 1 2 361.442 2.831 20 30 FFEDLO CCc1noc(C[C@@]2(O)CCC[N@H+](CC#Cc3ccccc3Cl)C2)n1 ZINC000856676021 730348693 /nfs/dbraw/zinc/34/86/93/730348693.db2.gz FZNLNMVXDHVIKN-IBGZPJMESA-N 1 2 359.857 2.707 20 30 FFEDLO CCc1noc(C[C@@]2(O)CCC[N@@H+](CC#Cc3ccccc3Cl)C2)n1 ZINC000856676021 730348695 /nfs/dbraw/zinc/34/86/95/730348695.db2.gz FZNLNMVXDHVIKN-IBGZPJMESA-N 1 2 359.857 2.707 20 30 FFEDLO C#CC[C@H](COC)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000858321319 730422589 /nfs/dbraw/zinc/42/25/89/730422589.db2.gz YXLZARAKSPUTIG-COXVUDFISA-N 1 2 367.852 2.562 20 30 FFEDLO C#CC[C@H](COC)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000858321319 730422590 /nfs/dbraw/zinc/42/25/90/730422590.db2.gz YXLZARAKSPUTIG-COXVUDFISA-N 1 2 367.852 2.562 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(-c4ccco4)s3)CC2)cn1 ZINC000862421829 730700437 /nfs/dbraw/zinc/70/04/37/730700437.db2.gz IMXIAIGQAGSDMR-UHFFFAOYSA-N 1 2 351.435 2.992 20 30 FFEDLO C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1cccc(C#N)c1O ZINC000866365172 731052481 /nfs/dbraw/zinc/05/24/81/731052481.db2.gz FWDCFMXSEIEZIY-LLVKDONJSA-N 1 2 362.227 2.539 20 30 FFEDLO CC(C)(C)OC(=O)N=c1[nH]c(C=NNCCCn2cc[nH+]c2)cs1 ZINC000872387992 731759693 /nfs/dbraw/zinc/75/96/93/731759693.db2.gz WHDVTPPIKSRVPE-UHFFFAOYSA-N 1 2 350.448 2.700 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)nn1 ZINC000657423370 731778649 /nfs/dbraw/zinc/77/86/49/731778649.db2.gz HTDIPSWPDXNOSA-LBPRGKRZSA-N 1 2 363.824 2.542 20 30 FFEDLO C=CCCn1cc(C[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)nn1 ZINC000657455315 731781008 /nfs/dbraw/zinc/78/10/08/731781008.db2.gz HLOSPJGPEOXKBE-UHFFFAOYSA-N 1 2 361.877 2.634 20 30 FFEDLO N#Cc1cnc(Cl)c(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)c1 ZINC000877534457 732382820 /nfs/dbraw/zinc/38/28/20/732382820.db2.gz JNPZZDNRRBFPJR-CYBMUJFWSA-N 1 2 358.829 2.707 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879623511 732735887 /nfs/dbraw/zinc/73/58/87/732735887.db2.gz ZJFGMYMOBOPVIM-HUUCEWRRSA-N 1 2 361.511 2.970 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879623511 732735891 /nfs/dbraw/zinc/73/58/91/732735891.db2.gz ZJFGMYMOBOPVIM-HUUCEWRRSA-N 1 2 361.511 2.970 20 30 FFEDLO C#CCN(CC)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782756653 738754011 /nfs/dbraw/zinc/75/40/11/738754011.db2.gz AEFDVMDERZNIAR-WBVHZDCISA-N 1 2 353.388 2.904 20 30 FFEDLO C#CCN(CC)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782756653 738754014 /nfs/dbraw/zinc/75/40/14/738754014.db2.gz AEFDVMDERZNIAR-WBVHZDCISA-N 1 2 353.388 2.904 20 30 FFEDLO C[C@@H]1CCCC[C@H]1NC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949214 738767010 /nfs/dbraw/zinc/76/70/10/738767010.db2.gz RLMYYUWHTCVCHD-BXUZGUMPSA-N 1 2 368.275 2.781 20 30 FFEDLO C=CC[N@H+](CN1C(=O)N[C@](c2ccccc2)(C(F)(F)F)C1=O)C(C)C ZINC000728559495 734531515 /nfs/dbraw/zinc/53/15/15/734531515.db2.gz AQKFWLPXMMHENW-INIZCTEOSA-N 1 2 355.360 2.850 20 30 FFEDLO C=CC[N@@H+](CN1C(=O)N[C@](c2ccccc2)(C(F)(F)F)C1=O)C(C)C ZINC000728559495 734531516 /nfs/dbraw/zinc/53/15/16/734531516.db2.gz AQKFWLPXMMHENW-INIZCTEOSA-N 1 2 355.360 2.850 20 30 FFEDLO O=C1c2ccccc2S(=O)(=O)C/C1=C\c1cc(-n2cc[nH+]c2)cs1 ZINC000783701707 738827997 /nfs/dbraw/zinc/82/79/97/738827997.db2.gz YKHHCPAWBKFZML-KPKJPENVSA-N 1 2 356.428 2.987 20 30 FFEDLO N#Cc1ccc(CNC(=O)CO[NH+]=C(N)Cc2ccc(Cl)cc2)cc1 ZINC000729987590 734607113 /nfs/dbraw/zinc/60/71/13/734607113.db2.gz LULLKPDAKSKPFF-UHFFFAOYSA-N 1 2 356.813 2.569 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000730279161 734624776 /nfs/dbraw/zinc/62/47/76/734624776.db2.gz JJPFWWSKJNPQQN-SFHVURJKSA-N 1 2 358.869 2.859 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000730279161 734624778 /nfs/dbraw/zinc/62/47/78/734624778.db2.gz JJPFWWSKJNPQQN-SFHVURJKSA-N 1 2 358.869 2.859 20 30 FFEDLO CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1cc(Br)cc(F)c1O ZINC000783864618 738843750 /nfs/dbraw/zinc/84/37/50/738843750.db2.gz WITUFZLNSWYDFN-CHWSQXEVSA-N 1 2 369.238 2.878 20 30 FFEDLO C#CC[N@@H+](CCCc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000784178126 738866453 /nfs/dbraw/zinc/86/64/53/738866453.db2.gz GLLRLYWPHZJENX-HNNXBMFYSA-N 1 2 370.312 2.504 20 30 FFEDLO C#CC[N@H+](CCCc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000784178126 738866459 /nfs/dbraw/zinc/86/64/59/738866459.db2.gz GLLRLYWPHZJENX-HNNXBMFYSA-N 1 2 370.312 2.504 20 30 FFEDLO C[N@H+](CC(F)F)C1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000742238907 735213326 /nfs/dbraw/zinc/21/33/26/735213326.db2.gz NOJSXUWOMXKZIK-UHFFFAOYSA-N 1 2 367.465 2.979 20 30 FFEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000742238907 735213330 /nfs/dbraw/zinc/21/33/30/735213330.db2.gz NOJSXUWOMXKZIK-UHFFFAOYSA-N 1 2 367.465 2.979 20 30 FFEDLO CS[C@@H]1CC[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1 ZINC000742266966 735216201 /nfs/dbraw/zinc/21/62/01/735216201.db2.gz OMLVVWPZDHIHMC-QWHCGFSZSA-N 1 2 356.495 2.930 20 30 FFEDLO C#C[C@@H](CC)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000753193062 736044574 /nfs/dbraw/zinc/04/45/74/736044574.db2.gz NBUYQUNRUPSAHY-ZDUSSCGKSA-N 1 2 363.259 2.659 20 30 FFEDLO C[C@H]([NH2+]C1CCN(CC#N)CC1)c1cc(Br)c(F)cc1O ZINC000756551456 736341576 /nfs/dbraw/zinc/34/15/76/736341576.db2.gz BTOYPUFYSZVUMB-JTQLQIEISA-N 1 2 356.239 2.932 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000905452205 736342385 /nfs/dbraw/zinc/34/23/85/736342385.db2.gz JFCAEOZRFDUQIM-OALUTQOASA-N 1 2 358.438 2.947 20 30 FFEDLO Cc1cc(N2CCN(C(=O)c3ccsc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000905495489 736346745 /nfs/dbraw/zinc/34/67/45/736346745.db2.gz BYXQZGNITMOWOL-UHFFFAOYSA-N 1 2 355.467 2.804 20 30 FFEDLO COc1cc(F)ccc1N[NH+]=Cc1c(Cl)nc(N)nc1N1CCCC1 ZINC000761884279 736768547 /nfs/dbraw/zinc/76/85/47/736768547.db2.gz CQBUMTNVORLZSF-UHFFFAOYSA-N 1 2 364.812 2.906 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000915908254 737663643 /nfs/dbraw/zinc/66/36/43/737663643.db2.gz OSUPHUSPSWETOX-OAHLLOKOSA-N 1 2 367.280 2.579 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cncc(Cl)c3)CC2)cc1 ZINC000932112760 739389599 /nfs/dbraw/zinc/38/95/99/739389599.db2.gz YDXMCTZKTGHXME-UHFFFAOYSA-N 1 2 355.829 2.956 20 30 FFEDLO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000932631752 739481768 /nfs/dbraw/zinc/48/17/68/739481768.db2.gz CCAOSJNMBDGRAV-CYBMUJFWSA-N 1 2 356.451 2.874 20 30 FFEDLO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000932631752 739481772 /nfs/dbraw/zinc/48/17/72/739481772.db2.gz CCAOSJNMBDGRAV-CYBMUJFWSA-N 1 2 356.451 2.874 20 30 FFEDLO N#CC[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C(F)(F)F ZINC000932911455 739536249 /nfs/dbraw/zinc/53/62/49/739536249.db2.gz TTWAPUNARULPRA-CQSZACIVSA-N 1 2 357.380 2.929 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCc2c([nH+]cn2CC)C1 ZINC000933257155 739589786 /nfs/dbraw/zinc/58/97/86/739589786.db2.gz BQIZQWUVFIGTPX-HNNXBMFYSA-N 1 2 358.511 2.926 20 30 FFEDLO C=c1[nH]c(=O)[nH]c(=O)c1=C(C)[NH2+]Nc1ccc(C#N)cc1C(F)(F)F ZINC000799491116 740422957 /nfs/dbraw/zinc/42/29/57/740422957.db2.gz BPQSDWWNTSVODT-UHFFFAOYSA-N 1 2 351.288 2.923 20 30 FFEDLO COc1cc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)ccc1C#N ZINC000799733246 740446499 /nfs/dbraw/zinc/44/64/99/740446499.db2.gz FTLHCTDBPOCGPL-UHFFFAOYSA-N 1 2 356.857 2.933 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1C[NH+](CCc2ccns2)C1 ZINC000952431745 740464862 /nfs/dbraw/zinc/46/48/62/740464862.db2.gz AXLCOTMGOWGISN-ROUUACIJSA-N 1 2 363.527 2.590 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC000961996095 740640784 /nfs/dbraw/zinc/64/07/84/740640784.db2.gz RIOOOXRCCRVMAX-WHVGMRKRSA-N 1 2 359.297 2.723 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC000961996095 740640786 /nfs/dbraw/zinc/64/07/86/740640786.db2.gz RIOOOXRCCRVMAX-WHVGMRKRSA-N 1 2 359.297 2.723 20 30 FFEDLO C[C@@H](NC(=O)[C@H]1OCC[C@H]1C)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000970442656 740748823 /nfs/dbraw/zinc/74/88/23/740748823.db2.gz QQOFIJZFBZWIJK-CLCXKQKWSA-N 1 2 360.885 2.553 20 30 FFEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC000972590549 740838777 /nfs/dbraw/zinc/83/87/77/740838777.db2.gz SBFQYFHSKIMBPR-NLWGTHIKSA-N 1 2 360.885 2.933 20 30 FFEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC000972590549 740838779 /nfs/dbraw/zinc/83/87/79/740838779.db2.gz SBFQYFHSKIMBPR-NLWGTHIKSA-N 1 2 360.885 2.933 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000981980861 741182115 /nfs/dbraw/zinc/18/21/15/741182115.db2.gz MFKSZZIPDCUSJM-APWZRJJASA-N 1 2 360.885 2.651 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000981980861 741182117 /nfs/dbraw/zinc/18/21/17/741182117.db2.gz MFKSZZIPDCUSJM-APWZRJJASA-N 1 2 360.885 2.651 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cc(F)ccc2F)CC1 ZINC000981992820 741183562 /nfs/dbraw/zinc/18/35/62/741183562.db2.gz KACQQWBMGUHXBZ-AEFFLSMTSA-N 1 2 350.409 2.590 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2cc(F)ccc2F)CC1 ZINC000981992820 741183567 /nfs/dbraw/zinc/18/35/67/741183567.db2.gz KACQQWBMGUHXBZ-AEFFLSMTSA-N 1 2 350.409 2.590 20 30 FFEDLO C#CCCS(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000808306359 741209632 /nfs/dbraw/zinc/20/96/32/741209632.db2.gz SEBDPHZOUGJLEO-IRXDYDNUSA-N 1 2 372.893 2.946 20 30 FFEDLO C#CCCS(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000808306359 741209633 /nfs/dbraw/zinc/20/96/33/741209633.db2.gz SEBDPHZOUGJLEO-IRXDYDNUSA-N 1 2 372.893 2.946 20 30 FFEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](c1nc(Br)cs1)C1CC1 ZINC000817586524 742174828 /nfs/dbraw/zinc/17/48/28/742174828.db2.gz RKYFLVLNBAEPEY-LLVKDONJSA-N 1 2 365.318 2.547 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2nccs2)CC1 ZINC001006100975 742277832 /nfs/dbraw/zinc/27/78/32/742277832.db2.gz AXQLYSWDMDJVQY-WMZOPIPTSA-N 1 2 363.527 2.937 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001007360158 742326957 /nfs/dbraw/zinc/32/69/57/742326957.db2.gz MPUMHRXJNBPVOD-BBWFWOEESA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001007360158 742326962 /nfs/dbraw/zinc/32/69/62/742326962.db2.gz MPUMHRXJNBPVOD-BBWFWOEESA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001028022006 742782796 /nfs/dbraw/zinc/78/27/96/742782796.db2.gz DVQGVNWLCLSDGO-OWCLPIDISA-N 1 2 371.319 2.538 20 30 FFEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001028022006 742782798 /nfs/dbraw/zinc/78/27/98/742782798.db2.gz DVQGVNWLCLSDGO-OWCLPIDISA-N 1 2 371.319 2.538 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029344049 742810553 /nfs/dbraw/zinc/81/05/53/742810553.db2.gz DWPDIQSTRNWEGK-BSXFFOKHSA-N 1 2 359.495 2.610 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029344049 742810559 /nfs/dbraw/zinc/81/05/59/742810559.db2.gz DWPDIQSTRNWEGK-BSXFFOKHSA-N 1 2 359.495 2.610 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000823242619 742863188 /nfs/dbraw/zinc/86/31/88/742863188.db2.gz BRKHZOUMWKNRFB-BBRMVZONSA-N 1 2 352.837 2.598 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000823242619 742863199 /nfs/dbraw/zinc/86/31/99/742863199.db2.gz BRKHZOUMWKNRFB-BBRMVZONSA-N 1 2 352.837 2.598 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001033496154 742895050 /nfs/dbraw/zinc/89/50/50/742895050.db2.gz HCVIDIJSEGLIGT-BQFCYCMXSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001033496154 742895062 /nfs/dbraw/zinc/89/50/62/742895062.db2.gz HCVIDIJSEGLIGT-BQFCYCMXSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001033497342 742895782 /nfs/dbraw/zinc/89/57/82/742895782.db2.gz MBNHZYUIAFDPSJ-BQFCYCMXSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001033497342 742895789 /nfs/dbraw/zinc/89/57/89/742895789.db2.gz MBNHZYUIAFDPSJ-BQFCYCMXSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCOc1ccccc1Cl ZINC001038720837 742980723 /nfs/dbraw/zinc/98/07/23/742980723.db2.gz SYUNXOGYEFEERU-UXLLHSPISA-N 1 2 364.873 2.500 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCOc1ccccc1Cl ZINC001038720837 742980730 /nfs/dbraw/zinc/98/07/30/742980730.db2.gz SYUNXOGYEFEERU-UXLLHSPISA-N 1 2 364.873 2.500 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001046320601 743317155 /nfs/dbraw/zinc/31/71/55/743317155.db2.gz WMWNRSKMHJXVIT-KEYYUXOJSA-N 1 2 369.918 2.858 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001046320601 743317165 /nfs/dbraw/zinc/31/71/65/743317165.db2.gz WMWNRSKMHJXVIT-KEYYUXOJSA-N 1 2 369.918 2.858 20 30 FFEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)CC1 ZINC001052053841 743571816 /nfs/dbraw/zinc/57/18/16/743571816.db2.gz SXTFRGSGGKMNNH-GVDBMIGSSA-N 1 2 353.938 2.640 20 30 FFEDLO C#CC[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000829810876 745263389 /nfs/dbraw/zinc/26/33/89/745263389.db2.gz VMNOBNBELVAKLS-HNNXBMFYSA-N 1 2 358.463 2.980 20 30 FFEDLO C#CC[C@H]1CCC[N@H+](Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000829810876 745263390 /nfs/dbraw/zinc/26/33/90/745263390.db2.gz VMNOBNBELVAKLS-HNNXBMFYSA-N 1 2 358.463 2.980 20 30 FFEDLO C#C[C@@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000836411929 746216123 /nfs/dbraw/zinc/21/61/23/746216123.db2.gz XRRKSUIVSFJMTC-LSDHHAIUSA-N 1 2 373.254 2.634 20 30 FFEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1=S ZINC000840138223 747015769 /nfs/dbraw/zinc/01/57/69/747015769.db2.gz PCUVTZBIPNWTFO-CVEARBPZSA-N 1 2 364.515 2.874 20 30 FFEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1=S ZINC000840138223 747015776 /nfs/dbraw/zinc/01/57/76/747015776.db2.gz PCUVTZBIPNWTFO-CVEARBPZSA-N 1 2 364.515 2.874 20 30 FFEDLO C[N@@H+](Cc1nc(C#N)cs1)C[C@H](O)c1cccc(Br)c1 ZINC000840959876 747243301 /nfs/dbraw/zinc/24/33/01/747243301.db2.gz WVDKSGPKTVLDFQ-ZDUSSCGKSA-N 1 2 352.257 2.943 20 30 FFEDLO C[N@H+](Cc1nc(C#N)cs1)C[C@H](O)c1cccc(Br)c1 ZINC000840959876 747243306 /nfs/dbraw/zinc/24/33/06/747243306.db2.gz WVDKSGPKTVLDFQ-ZDUSSCGKSA-N 1 2 352.257 2.943 20 30 FFEDLO CC[C@@H](CO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1)OC ZINC000842041346 747507484 /nfs/dbraw/zinc/50/74/84/747507484.db2.gz ZXCUDLFHRDTFGD-HNNXBMFYSA-N 1 2 351.447 2.773 20 30 FFEDLO C=CCCn1cc(C[N@H+](C)C[C@@H](O)c2ccccc2Br)nn1 ZINC000846984671 748590630 /nfs/dbraw/zinc/59/06/30/748590630.db2.gz QBNHQAIWVSNZRJ-MRXNPFEDSA-N 1 2 365.275 2.782 20 30 FFEDLO C=CCCn1cc(C[N@@H+](C)C[C@@H](O)c2ccccc2Br)nn1 ZINC000846984671 748590636 /nfs/dbraw/zinc/59/06/36/748590636.db2.gz QBNHQAIWVSNZRJ-MRXNPFEDSA-N 1 2 365.275 2.782 20 30 FFEDLO C#C[C@@H]1CCCN(c2nc(N3CCC[C@@H](C#C)C3)c3c([nH+]2)CCS3)C1 ZINC000848751904 749000305 /nfs/dbraw/zinc/00/03/05/749000305.db2.gz VXDQHPUTPQIYBG-HZPDHXFCSA-N 1 2 352.507 2.824 20 30 FFEDLO C#CCC[N@@H+](CCOC)Cc1nc(-c2cccc(Br)c2)no1 ZINC000852752879 749944229 /nfs/dbraw/zinc/94/42/29/749944229.db2.gz PFFVHTOZTNXBQN-UHFFFAOYSA-N 1 2 364.243 2.971 20 30 FFEDLO C#CCC[N@H+](CCOC)Cc1nc(-c2cccc(Br)c2)no1 ZINC000852752879 749944234 /nfs/dbraw/zinc/94/42/34/749944234.db2.gz PFFVHTOZTNXBQN-UHFFFAOYSA-N 1 2 364.243 2.971 20 30 FFEDLO N#CC[C@@H]1CCC[N@@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000853525610 750083682 /nfs/dbraw/zinc/08/36/82/750083682.db2.gz HDBYMCNSSOOBHL-NSHDSACASA-N 1 2 350.216 2.940 20 30 FFEDLO N#CC[C@@H]1CCC[N@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000853525610 750083688 /nfs/dbraw/zinc/08/36/88/750083688.db2.gz HDBYMCNSSOOBHL-NSHDSACASA-N 1 2 350.216 2.940 20 30 FFEDLO C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000854683594 750351343 /nfs/dbraw/zinc/35/13/43/750351343.db2.gz RLNRIUCMKLGITC-KFWWJZLASA-N 1 2 358.239 2.777 20 30 FFEDLO Cc1cn(C(C)(C)C(=O)N2CCCN(c3ccccc3C#N)CC2)c[nH+]1 ZINC000895732198 970887598 /nfs/dbraw/zinc/88/75/98/970887598.db2.gz GWZXDZKZTJNYDS-UHFFFAOYSA-N 1 2 351.454 2.537 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Oc3cccc(F)c3)[C@@H]2C1 ZINC001075825979 971049788 /nfs/dbraw/zinc/04/97/88/971049788.db2.gz KIGNYHDKZOCDRO-GRDNDAEWSA-N 1 2 352.837 2.878 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Oc3cccc(F)c3)[C@@H]2C1 ZINC001075825979 971049801 /nfs/dbraw/zinc/04/98/01/971049801.db2.gz KIGNYHDKZOCDRO-GRDNDAEWSA-N 1 2 352.837 2.878 20 30 FFEDLO Cc1cccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001095287906 1013095789 /nfs/dbraw/zinc/09/57/89/1013095789.db2.gz PQGVLNPBIMUAMP-NEWSRXKRSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001095287906 1013095806 /nfs/dbraw/zinc/09/58/06/1013095806.db2.gz PQGVLNPBIMUAMP-NEWSRXKRSA-N 1 2 364.424 2.936 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759897622 971913568 /nfs/dbraw/zinc/91/35/68/971913568.db2.gz ZQUYWKVKPWKQNG-KRWDZBQOSA-N 1 2 350.397 2.730 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759897622 971913574 /nfs/dbraw/zinc/91/35/74/971913574.db2.gz ZQUYWKVKPWKQNG-KRWDZBQOSA-N 1 2 350.397 2.730 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2nc3ccccc3o2)C1 ZINC000969683943 959756061 /nfs/dbraw/zinc/75/60/61/959756061.db2.gz HAYXENFAGYELAF-KYJSFNMBSA-N 1 2 369.465 2.746 20 30 FFEDLO C=CC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 ZINC000121261286 960158159 /nfs/dbraw/zinc/15/81/59/960158159.db2.gz KDUVVEQZIHZXOD-UHFFFAOYSA-N 1 2 351.450 2.981 20 30 FFEDLO C=CC[N@H+](C)CC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 ZINC000121261286 960158168 /nfs/dbraw/zinc/15/81/68/960158168.db2.gz KDUVVEQZIHZXOD-UHFFFAOYSA-N 1 2 351.450 2.981 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@H]2CCN(C)C(=O)C2)C[C@H](C)O1 ZINC000328637544 960222282 /nfs/dbraw/zinc/22/22/82/960222282.db2.gz AWLVEALBYCAVLC-XHSDSOJGSA-N 1 2 359.470 2.752 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@H]2CCN(C)C(=O)C2)C[C@H](C)O1 ZINC000328637544 960222288 /nfs/dbraw/zinc/22/22/88/960222288.db2.gz AWLVEALBYCAVLC-XHSDSOJGSA-N 1 2 359.470 2.752 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1Cc1ccc(Br)c(OC(F)(F)F)c1 ZINC001210121573 960705656 /nfs/dbraw/zinc/70/56/56/960705656.db2.gz MMEXMVSYMXHJIF-SNVBAGLBSA-N 1 2 364.165 2.645 20 30 FFEDLO CCCCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(C#N)ccc1F)C2 ZINC001275945817 1013215254 /nfs/dbraw/zinc/21/52/54/1013215254.db2.gz NJFFYEZJQAKBRC-FQEVSTJZSA-N 1 2 359.445 2.548 20 30 FFEDLO CCCCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(C#N)ccc1F)C2 ZINC001275945817 1013215256 /nfs/dbraw/zinc/21/52/56/1013215256.db2.gz NJFFYEZJQAKBRC-FQEVSTJZSA-N 1 2 359.445 2.548 20 30 FFEDLO CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(C#N)ccc1F)C2 ZINC001275944833 1013216499 /nfs/dbraw/zinc/21/64/99/1013216499.db2.gz BMPWJSBJNFROOA-QRWLVFNGSA-N 1 2 359.445 2.547 20 30 FFEDLO CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(C#N)ccc1F)C2 ZINC001275944833 1013216504 /nfs/dbraw/zinc/21/65/04/1013216504.db2.gz BMPWJSBJNFROOA-QRWLVFNGSA-N 1 2 359.445 2.547 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1cnc(Cl)s1 ZINC001275955836 1013226095 /nfs/dbraw/zinc/22/60/95/1013226095.db2.gz RGAPDEOZEUQMKJ-XBFCOCLRSA-N 1 2 357.907 2.714 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1cnc(Cl)s1 ZINC001275955836 1013226100 /nfs/dbraw/zinc/22/61/00/1013226100.db2.gz RGAPDEOZEUQMKJ-XBFCOCLRSA-N 1 2 357.907 2.714 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ncoc2C(C)C)C1 ZINC000970571534 961735813 /nfs/dbraw/zinc/73/58/13/961735813.db2.gz LSZKEIVDEBVHMK-HFTRVMKXSA-N 1 2 361.486 2.716 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ncoc2C(C)C)C1 ZINC000970571535 961736333 /nfs/dbraw/zinc/73/63/33/961736333.db2.gz LSZKEIVDEBVHMK-ZVZYQTTQSA-N 1 2 361.486 2.716 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(O)ccc2Br)C1=O ZINC001276088173 1013433398 /nfs/dbraw/zinc/43/33/98/1013433398.db2.gz AMIPCORXFLEVDQ-KRWDZBQOSA-N 1 2 365.271 2.908 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(O)ccc2Br)C1=O ZINC001276088173 1013433401 /nfs/dbraw/zinc/43/34/01/1013433401.db2.gz AMIPCORXFLEVDQ-KRWDZBQOSA-N 1 2 365.271 2.908 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000933213269 963716350 /nfs/dbraw/zinc/71/63/50/963716350.db2.gz HOCBTTINPUOSPX-SJORKVTESA-N 1 2 362.433 2.725 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCOC[C@H]1CC1CC1 ZINC000933213269 963716355 /nfs/dbraw/zinc/71/63/55/963716355.db2.gz HOCBTTINPUOSPX-SJORKVTESA-N 1 2 362.433 2.725 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC000971558613 964159073 /nfs/dbraw/zinc/15/90/73/964159073.db2.gz BSRHOUGMDCWISJ-JZXOWHBKSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncoc2C(C)C)C1 ZINC000971558613 964159079 /nfs/dbraw/zinc/15/90/79/964159079.db2.gz BSRHOUGMDCWISJ-JZXOWHBKSA-N 1 2 361.486 2.812 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3csc(C(F)(F)F)n3)CC2)C1=O ZINC001276122079 1013483818 /nfs/dbraw/zinc/48/38/18/1013483818.db2.gz ZOCGALHECQMOOS-INIZCTEOSA-N 1 2 371.428 3.000 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+](Cc3csc(C(F)(F)F)n3)CC2)C1=O ZINC001276122079 1013483826 /nfs/dbraw/zinc/48/38/26/1013483826.db2.gz ZOCGALHECQMOOS-INIZCTEOSA-N 1 2 371.428 3.000 20 30 FFEDLO Cc1nsc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1C#N ZINC001270191693 964781389 /nfs/dbraw/zinc/78/13/89/964781389.db2.gz MGBAGUPEKWVFQC-UHFFFAOYSA-N 1 2 354.351 2.669 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2conc2C)C1 ZINC001087467197 965060844 /nfs/dbraw/zinc/06/08/44/965060844.db2.gz JJHJXVSEBKZMAP-IEBWSBKVSA-N 1 2 355.413 2.733 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2conc2C)C1 ZINC001087467197 965060855 /nfs/dbraw/zinc/06/08/55/965060855.db2.gz JJHJXVSEBKZMAP-IEBWSBKVSA-N 1 2 355.413 2.733 20 30 FFEDLO CC#CC[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(C)(F)F)C1 ZINC001087477012 965658194 /nfs/dbraw/zinc/65/81/94/965658194.db2.gz QLCBQBJEAGKLIY-HOCLYGCPSA-N 1 2 368.399 2.787 20 30 FFEDLO CC#CC[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(C)(F)F)C1 ZINC001087477012 965658201 /nfs/dbraw/zinc/65/82/01/965658201.db2.gz QLCBQBJEAGKLIY-HOCLYGCPSA-N 1 2 368.399 2.787 20 30 FFEDLO C=CCCn1cc(CN[C@H](CC)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nn1 ZINC000657400152 966404019 /nfs/dbraw/zinc/40/40/19/966404019.db2.gz WNAXPICCTBCBJC-RTWAWAEBSA-N 1 2 369.513 2.623 20 30 FFEDLO C=CCCn1cc(CN[C@H](CC)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1 ZINC000657400152 966404024 /nfs/dbraw/zinc/40/40/24/966404024.db2.gz WNAXPICCTBCBJC-RTWAWAEBSA-N 1 2 369.513 2.623 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)oc2C)C1 ZINC000972512367 967515342 /nfs/dbraw/zinc/51/53/42/967515342.db2.gz CEQKVRVFFDXCOC-LNLFQRSKSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)oc2C)C1 ZINC000972512367 967515353 /nfs/dbraw/zinc/51/53/53/967515353.db2.gz CEQKVRVFFDXCOC-LNLFQRSKSA-N 1 2 361.486 2.695 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)C[C@@H]3c3ccccc3)C2)C1 ZINC000972589586 967930401 /nfs/dbraw/zinc/93/04/01/967930401.db2.gz JHUVWLAYNXVTFZ-BAGYTPMASA-N 1 2 352.478 2.507 20 30 FFEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)C[C@@H]3c3ccccc3)C2)C1 ZINC000972589586 967930408 /nfs/dbraw/zinc/93/04/08/967930408.db2.gz JHUVWLAYNXVTFZ-BAGYTPMASA-N 1 2 352.478 2.507 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C)ncn2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087545124 968009973 /nfs/dbraw/zinc/00/99/73/968009973.db2.gz SAYFTXSKSGWARJ-PKOBYXMFSA-N 1 2 367.428 2.579 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C)ncn2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087545124 968009984 /nfs/dbraw/zinc/00/99/84/968009984.db2.gz SAYFTXSKSGWARJ-PKOBYXMFSA-N 1 2 367.428 2.579 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001177014446 1013830275 /nfs/dbraw/zinc/83/02/75/1013830275.db2.gz YNASMWSBVDOAJN-IFXJQAMLSA-N 1 2 353.397 2.638 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnnn2-c2ccccc2)[C@H]1CC ZINC001087744925 968857377 /nfs/dbraw/zinc/85/73/77/968857377.db2.gz SLGPCXZLZQFKQP-JKSUJKDBSA-N 1 2 359.861 2.603 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnnn2-c2ccccc2)[C@H]1CC ZINC001087744925 968857382 /nfs/dbraw/zinc/85/73/82/968857382.db2.gz SLGPCXZLZQFKQP-JKSUJKDBSA-N 1 2 359.861 2.603 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2nccn2CC)[C@@H]1CC ZINC001087755522 968887439 /nfs/dbraw/zinc/88/74/39/968887439.db2.gz UBMKJYZDHCWIIB-GNBUJSLZSA-N 1 2 374.529 2.743 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nccn2CC)[C@@H]1CC ZINC001087755522 968887443 /nfs/dbraw/zinc/88/74/43/968887443.db2.gz UBMKJYZDHCWIIB-GNBUJSLZSA-N 1 2 374.529 2.743 20 30 FFEDLO NC(=[NH+]OCC(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000178150734 969462792 /nfs/dbraw/zinc/46/27/92/969462792.db2.gz AOZIHEZUGBTUSY-UHFFFAOYSA-N 1 2 369.318 2.798 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2cc(C)on2)[C@@H]1CC ZINC001087811024 970323528 /nfs/dbraw/zinc/32/35/28/970323528.db2.gz XYZCSZPYVULBON-VQTJNVASSA-N 1 2 351.450 2.676 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)on2)[C@@H]1CC ZINC001087811024 970323534 /nfs/dbraw/zinc/32/35/34/970323534.db2.gz XYZCSZPYVULBON-VQTJNVASSA-N 1 2 351.450 2.676 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)CC[C@@H]2C1 ZINC001088093087 972713823 /nfs/dbraw/zinc/71/38/23/972713823.db2.gz IZFGOJVTNOADLV-GQIGUUNPSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)CC[C@@H]2C1 ZINC001088093087 972713833 /nfs/dbraw/zinc/71/38/33/972713833.db2.gz IZFGOJVTNOADLV-GQIGUUNPSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC001027586057 974931293 /nfs/dbraw/zinc/93/12/93/974931293.db2.gz WJWNJUVYSCTEEH-JZXOWHBKSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ncoc2C(C)C)C1 ZINC001027586057 974931301 /nfs/dbraw/zinc/93/13/01/974931301.db2.gz WJWNJUVYSCTEEH-JZXOWHBKSA-N 1 2 361.486 2.812 20 30 FFEDLO N#CCn1c(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)nc2ccccc2c1=O ZINC000729851525 975399007 /nfs/dbraw/zinc/39/90/07/975399007.db2.gz BKVFXHAXQGLLIV-FQEVSTJZSA-N 1 2 374.444 2.884 20 30 FFEDLO N#CCn1c(C[N@H+]2CCCO[C@H](c3ccccc3)C2)nc2ccccc2c1=O ZINC000729851525 975399017 /nfs/dbraw/zinc/39/90/17/975399017.db2.gz BKVFXHAXQGLLIV-FQEVSTJZSA-N 1 2 374.444 2.884 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001027890007 975692987 /nfs/dbraw/zinc/69/29/87/975692987.db2.gz MJCHOFUVIXHOPI-AQNXPRMDSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001027890007 975692998 /nfs/dbraw/zinc/69/29/98/975692998.db2.gz MJCHOFUVIXHOPI-AQNXPRMDSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2cc(C3CC3)no2)CC1 ZINC000981190061 976326436 /nfs/dbraw/zinc/32/64/36/976326436.db2.gz NZQYDJRLJWLUAK-MJGOQNOKSA-N 1 2 359.470 2.568 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cc(C3CC3)no2)CC1 ZINC000981190061 976326447 /nfs/dbraw/zinc/32/64/47/976326447.db2.gz NZQYDJRLJWLUAK-MJGOQNOKSA-N 1 2 359.470 2.568 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(C(=O)OCC)cc1 ZINC001142595192 976733764 /nfs/dbraw/zinc/73/37/64/976733764.db2.gz OXFWWFVYUDBRJJ-IBGZPJMESA-N 1 2 369.465 2.899 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(C(=O)OCC)cc1 ZINC001142595192 976733775 /nfs/dbraw/zinc/73/37/75/976733775.db2.gz OXFWWFVYUDBRJJ-IBGZPJMESA-N 1 2 369.465 2.899 20 30 FFEDLO C=C1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000982076026 977223534 /nfs/dbraw/zinc/22/35/34/977223534.db2.gz FRVXAWZMZWCVEF-DZOHQFGASA-N 1 2 370.497 2.661 20 30 FFEDLO C=C1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000982076026 977223543 /nfs/dbraw/zinc/22/35/43/977223543.db2.gz FRVXAWZMZWCVEF-DZOHQFGASA-N 1 2 370.497 2.661 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(Nc3cc(OC)cc(OC)c3)CC2)nn1 ZINC000653584272 1014384342 /nfs/dbraw/zinc/38/43/42/1014384342.db2.gz LERSDBYKXFMVHJ-UHFFFAOYSA-N 1 2 371.485 2.948 20 30 FFEDLO Cc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)sc1C(C)(C)C ZINC001075615875 977313166 /nfs/dbraw/zinc/31/31/66/977313166.db2.gz BOFBXZUQCSOSPD-VHDGCEQUSA-N 1 2 360.527 2.941 20 30 FFEDLO Cc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)sc1C(C)(C)C ZINC001075615875 977313172 /nfs/dbraw/zinc/31/31/72/977313172.db2.gz BOFBXZUQCSOSPD-VHDGCEQUSA-N 1 2 360.527 2.941 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3coc(-c4ccc(F)cc4)n3)C[C@H]21 ZINC001075616513 977323732 /nfs/dbraw/zinc/32/37/32/977323732.db2.gz VOZWPNFSYFYDSB-QIIPPGSGSA-N 1 2 368.412 2.673 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)C[C@H]21 ZINC001075616513 977323738 /nfs/dbraw/zinc/32/37/38/977323738.db2.gz VOZWPNFSYFYDSB-QIIPPGSGSA-N 1 2 368.412 2.673 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4cc(Cl)ccc4O3)[C@@H]2C1 ZINC001076007825 977348943 /nfs/dbraw/zinc/34/89/43/977348943.db2.gz QILUGQRBFSPPID-MJEQTWJJSA-N 1 2 367.276 2.929 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4cc(Cl)ccc4O3)[C@@H]2C1 ZINC001076007825 977348949 /nfs/dbraw/zinc/34/89/49/977348949.db2.gz QILUGQRBFSPPID-MJEQTWJJSA-N 1 2 367.276 2.929 20 30 FFEDLO COc1cc(C)cc(C[NH+]2CCN(c3ncccc3C#N)CC2)c1OC ZINC000893917081 977599002 /nfs/dbraw/zinc/59/90/02/977599002.db2.gz PQJRMYASTRHKSG-UHFFFAOYSA-N 1 2 352.438 2.601 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cncc(F)c2)C1 ZINC001087454163 977759873 /nfs/dbraw/zinc/75/98/73/977759873.db2.gz FZKVCABJCHPCPS-RTBURBONSA-N 1 2 355.388 2.581 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cncc(F)c2)C1 ZINC001087454163 977759881 /nfs/dbraw/zinc/75/98/81/977759881.db2.gz FZKVCABJCHPCPS-RTBURBONSA-N 1 2 355.388 2.581 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2nc(C)oc2C)C1 ZINC001087459002 977956848 /nfs/dbraw/zinc/95/68/48/977956848.db2.gz GJGDUMZZJVPITC-QZTJIDSGSA-N 1 2 355.413 2.652 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2nc(C)oc2C)C1 ZINC001087459002 977956855 /nfs/dbraw/zinc/95/68/55/977956855.db2.gz GJGDUMZZJVPITC-QZTJIDSGSA-N 1 2 355.413 2.652 20 30 FFEDLO Cc1cncc(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(F)ccc4C#N)C[C@H]32)c1 ZINC001075646128 977960815 /nfs/dbraw/zinc/96/08/15/977960815.db2.gz IDQQLJSWBAGIGJ-OXJNMPFZSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(F)ccc4C#N)C[C@H]32)c1 ZINC001075646128 977960820 /nfs/dbraw/zinc/96/08/20/977960820.db2.gz IDQQLJSWBAGIGJ-OXJNMPFZSA-N 1 2 364.424 2.747 20 30 FFEDLO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCN(CCCc3ccccc3)C2=O)c1 ZINC000877080784 1014471055 /nfs/dbraw/zinc/47/10/55/1014471055.db2.gz UKBNMSMQMCQCMW-SFHVURJKSA-N 1 2 368.868 2.930 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ncc(C5CC5)o4)C[C@H]32)cc1 ZINC001076117776 979136006 /nfs/dbraw/zinc/13/60/06/979136006.db2.gz SCBXKLJMTNIOTK-RBUKOAKNSA-N 1 2 361.445 2.880 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ncc(C5CC5)o4)C[C@H]32)cc1 ZINC001076117776 979136010 /nfs/dbraw/zinc/13/60/10/979136010.db2.gz SCBXKLJMTNIOTK-RBUKOAKNSA-N 1 2 361.445 2.880 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cc5n(n4)CCCC5)C[C@H]32)CC1 ZINC001076209088 979228432 /nfs/dbraw/zinc/22/84/32/979228432.db2.gz YLSOADCGFUUUKJ-GHTZIAJQSA-N 1 2 368.525 2.999 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc5n(n4)CCCC5)C[C@H]32)CC1 ZINC001076209088 979228442 /nfs/dbraw/zinc/22/84/42/979228442.db2.gz YLSOADCGFUUUKJ-GHTZIAJQSA-N 1 2 368.525 2.999 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC34CCC4)[C@@H]2C1 ZINC001076299079 979347030 /nfs/dbraw/zinc/34/70/30/979347030.db2.gz MLEHJKVFEUNYJQ-ZYSHUDEJSA-N 1 2 353.441 2.920 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC34CCC4)[C@@H]2C1 ZINC001076299079 979347040 /nfs/dbraw/zinc/34/70/40/979347040.db2.gz MLEHJKVFEUNYJQ-ZYSHUDEJSA-N 1 2 353.441 2.920 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(OC)cc(OC)c3)[C@@H]2C1 ZINC001076498966 979590745 /nfs/dbraw/zinc/59/07/45/979590745.db2.gz OZVGJLWTMZEJAR-SUMWQHHRSA-N 1 2 350.846 2.603 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(OC)cc(OC)c3)[C@@H]2C1 ZINC001076498966 979590749 /nfs/dbraw/zinc/59/07/49/979590749.db2.gz OZVGJLWTMZEJAR-SUMWQHHRSA-N 1 2 350.846 2.603 20 30 FFEDLO O=C(c1scnc1Cl)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076579887 979675490 /nfs/dbraw/zinc/67/54/90/979675490.db2.gz VXHRSLQRIQGNOT-JKSUJKDBSA-N 1 2 371.893 2.995 20 30 FFEDLO O=C(c1scnc1Cl)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076579887 979675495 /nfs/dbraw/zinc/67/54/95/979675495.db2.gz VXHRSLQRIQGNOT-JKSUJKDBSA-N 1 2 371.893 2.995 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088463494 979712906 /nfs/dbraw/zinc/71/29/06/979712906.db2.gz YRFHQLQGTBVRCH-PXAZEXFGSA-N 1 2 356.401 2.695 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088463494 979712909 /nfs/dbraw/zinc/71/29/09/979712909.db2.gz YRFHQLQGTBVRCH-PXAZEXFGSA-N 1 2 356.401 2.695 20 30 FFEDLO O=C(c1cccc(C#CCO)c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000907314885 981230793 /nfs/dbraw/zinc/23/07/93/981230793.db2.gz UVVJMDMWTQYVCG-UHFFFAOYSA-N 1 2 351.450 2.560 20 30 FFEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001212008988 981453444 /nfs/dbraw/zinc/45/34/44/981453444.db2.gz JRTODSCUNISGNK-GDIGMMSISA-N 1 2 361.461 2.839 20 30 FFEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001212008988 981453448 /nfs/dbraw/zinc/45/34/48/981453448.db2.gz JRTODSCUNISGNK-GDIGMMSISA-N 1 2 361.461 2.839 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)/C=C/C(C)(C)C ZINC001212047191 981475749 /nfs/dbraw/zinc/47/57/49/981475749.db2.gz CSGDNMKSSXZBPG-HNGSOEQISA-N 1 2 359.445 2.615 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)/C=C/C(C)(C)C ZINC001212047191 981475751 /nfs/dbraw/zinc/47/57/51/981475751.db2.gz CSGDNMKSSXZBPG-HNGSOEQISA-N 1 2 359.445 2.615 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)/C=C/C(C)(C)C ZINC001212048116 981476461 /nfs/dbraw/zinc/47/64/61/981476461.db2.gz UMFWCDZCBHTLOS-HNGSOEQISA-N 1 2 359.445 2.615 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)/C=C/C(C)(C)C ZINC001212048116 981476462 /nfs/dbraw/zinc/47/64/62/981476462.db2.gz UMFWCDZCBHTLOS-HNGSOEQISA-N 1 2 359.445 2.615 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000963770913 1014759580 /nfs/dbraw/zinc/75/95/80/1014759580.db2.gz WUJFADNRWPQFHJ-BVIKNXMNSA-N 1 2 370.497 2.565 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000963770913 1014759594 /nfs/dbraw/zinc/75/95/94/1014759594.db2.gz WUJFADNRWPQFHJ-BVIKNXMNSA-N 1 2 370.497 2.565 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1c(F)cccc1F ZINC001483395942 982033676 /nfs/dbraw/zinc/03/36/76/982033676.db2.gz LQZOGCHHEZCTIM-GLJUWKHASA-N 1 2 352.425 2.883 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1c(F)cccc1F ZINC001483395942 982033682 /nfs/dbraw/zinc/03/36/82/982033682.db2.gz LQZOGCHHEZCTIM-GLJUWKHASA-N 1 2 352.425 2.883 20 30 FFEDLO N#Cc1c(F)cc(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)cc1F ZINC000910778534 982059433 /nfs/dbraw/zinc/05/94/33/982059433.db2.gz XODZUMZCZCWUDZ-UHFFFAOYSA-N 1 2 353.372 2.937 20 30 FFEDLO N#Cc1c(F)cc(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)cc1F ZINC000910778534 982059442 /nfs/dbraw/zinc/05/94/42/982059442.db2.gz XODZUMZCZCWUDZ-UHFFFAOYSA-N 1 2 353.372 2.937 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[N@H+](CC(N)=O)[C@H](C)c1ccccc1)c1ccccc1 ZINC000878270549 1014959443 /nfs/dbraw/zinc/95/94/43/1014959443.db2.gz XGHDCNRVDYFPSN-VGSWGCGISA-N 1 2 363.461 2.976 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[N@@H+](CC(N)=O)[C@H](C)c1ccccc1)c1ccccc1 ZINC000878270549 1014959448 /nfs/dbraw/zinc/95/94/48/1014959448.db2.gz XGHDCNRVDYFPSN-VGSWGCGISA-N 1 2 363.461 2.976 20 30 FFEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC[C@](C#N)(C(C)=O)c3ccccc3)[C@@H]2C1 ZINC000878302285 1014977176 /nfs/dbraw/zinc/97/71/76/1014977176.db2.gz YKMYNUQCVNEFKF-CGXNFDGLSA-N 1 2 356.466 2.695 20 30 FFEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC[C@](C#N)(C(C)=O)c3ccccc3)[C@@H]2C1 ZINC000878302285 1014977180 /nfs/dbraw/zinc/97/71/80/1014977180.db2.gz YKMYNUQCVNEFKF-CGXNFDGLSA-N 1 2 356.466 2.695 20 30 FFEDLO CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000878310396 1014980443 /nfs/dbraw/zinc/98/04/43/1014980443.db2.gz LSVDUBPTEROFLV-VQTJNVASSA-N 1 2 356.514 2.902 20 30 FFEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3cccc(S(=O)(=O)N(C)C)c3)n2c1 ZINC000151412529 984280453 /nfs/dbraw/zinc/28/04/53/984280453.db2.gz ITMRVDRPXQGSEM-CMDGGOBGSA-N 1 2 369.446 2.789 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C3(C)OCCO3)CC2)c(C#N)c1C ZINC000760902002 984568202 /nfs/dbraw/zinc/56/82/02/984568202.db2.gz ZGSVAPWCPQZUDY-ZDUSSCGKSA-N 1 2 361.442 2.570 20 30 FFEDLO C=CCn1c(=S)n(CN2CC[NH+](Cc3ccncc3)CC2)nc1C1CC1 ZINC000060550814 984927497 /nfs/dbraw/zinc/92/74/97/984927497.db2.gz QNXGWCZFZGRWCO-UHFFFAOYSA-N 1 2 370.526 2.648 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc3ccc(F)cc3o2)[C@@H]1C ZINC001088868521 985165468 /nfs/dbraw/zinc/16/54/68/985165468.db2.gz JELSQLBHZOOWMA-UTXMOHQDSA-N 1 2 373.428 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc3ccc(F)cc3o2)[C@@H]1C ZINC001088868521 985165471 /nfs/dbraw/zinc/16/54/71/985165471.db2.gz JELSQLBHZOOWMA-UTXMOHQDSA-N 1 2 373.428 2.637 20 30 FFEDLO CC(C)n1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)n1 ZINC001088894242 985353212 /nfs/dbraw/zinc/35/32/12/985353212.db2.gz QJEBIXOPPJADRU-KDOFPFPSSA-N 1 2 369.444 2.868 20 30 FFEDLO CC(C)n1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)n1 ZINC001088894242 985353219 /nfs/dbraw/zinc/35/32/19/985353219.db2.gz QJEBIXOPPJADRU-KDOFPFPSSA-N 1 2 369.444 2.868 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnc(C3CC3)nc2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088901799 985393485 /nfs/dbraw/zinc/39/34/85/985393485.db2.gz JXUZQDSWKVBREF-KUHUBIRLSA-N 1 2 361.449 2.618 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnc(C3CC3)nc2)CC[N@H+]1Cc1ccccc1C#N ZINC001088901799 985393494 /nfs/dbraw/zinc/39/34/94/985393494.db2.gz JXUZQDSWKVBREF-KUHUBIRLSA-N 1 2 361.449 2.618 20 30 FFEDLO COc1ccc(CNC(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1C#N ZINC000921570515 985406364 /nfs/dbraw/zinc/40/63/64/985406364.db2.gz AFNKTRBDNOYEIN-UHFFFAOYSA-N 1 2 365.437 2.748 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(Cl)nn(C)c2Cl)[C@H]1C ZINC001088914400 985440529 /nfs/dbraw/zinc/44/05/29/985440529.db2.gz AGOLLXUZMPDPSS-BDAKNGLRSA-N 1 2 351.665 2.672 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(Cl)nn(C)c2Cl)[C@H]1C ZINC001088914400 985440532 /nfs/dbraw/zinc/44/05/32/985440532.db2.gz AGOLLXUZMPDPSS-BDAKNGLRSA-N 1 2 351.665 2.672 20 30 FFEDLO Cc1conc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1C ZINC001088962351 985645987 /nfs/dbraw/zinc/64/59/87/985645987.db2.gz ZRILZZBWDWVKCZ-PBHICJAKSA-N 1 2 357.841 2.881 20 30 FFEDLO Cc1conc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1C ZINC001088962351 985645995 /nfs/dbraw/zinc/64/59/95/985645995.db2.gz ZRILZZBWDWVKCZ-PBHICJAKSA-N 1 2 357.841 2.881 20 30 FFEDLO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001168605447 985783429 /nfs/dbraw/zinc/78/34/29/985783429.db2.gz WUBHQQHCWRAGBW-VKJFTORMSA-N 1 2 359.470 2.921 20 30 FFEDLO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001168605447 985783439 /nfs/dbraw/zinc/78/34/39/985783439.db2.gz WUBHQQHCWRAGBW-VKJFTORMSA-N 1 2 359.470 2.921 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1OC(C)C ZINC001032638187 986186967 /nfs/dbraw/zinc/18/69/67/986186967.db2.gz MFQQMWUBRVBENG-HAGHYFMRSA-N 1 2 370.493 2.850 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1OC(C)C ZINC001032638187 986186971 /nfs/dbraw/zinc/18/69/71/986186971.db2.gz MFQQMWUBRVBENG-HAGHYFMRSA-N 1 2 370.493 2.850 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ncc(C)s1 ZINC001089228792 986620403 /nfs/dbraw/zinc/62/04/03/986620403.db2.gz NRDIMXOTOZIIOW-BBWFWOEESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ncc(C)s1 ZINC001089228792 986620408 /nfs/dbraw/zinc/62/04/08/986620408.db2.gz NRDIMXOTOZIIOW-BBWFWOEESA-N 1 2 363.527 2.856 20 30 FFEDLO N#Cc1ccc(Oc2nc(NCC3([NH+]4CCCC4)COC3)ncc2F)cc1 ZINC001168445549 987077608 /nfs/dbraw/zinc/07/76/08/987077608.db2.gz XINLIEMRTMYWFP-UHFFFAOYSA-N 1 2 369.400 2.556 20 30 FFEDLO CC(C)c1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)s1 ZINC001078245892 987102452 /nfs/dbraw/zinc/10/24/52/987102452.db2.gz ASFTZJKXTSAVPA-IAGOWNOFSA-N 1 2 369.490 2.718 20 30 FFEDLO CC(C)c1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)s1 ZINC001078245892 987102455 /nfs/dbraw/zinc/10/24/55/987102455.db2.gz ASFTZJKXTSAVPA-IAGOWNOFSA-N 1 2 369.490 2.718 20 30 FFEDLO CC1=C(C)C[C@](C)(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)CC1 ZINC001078252619 987105987 /nfs/dbraw/zinc/10/59/87/987105987.db2.gz PZASGDDBTWMBHG-MQSCRBSSSA-N 1 2 366.505 2.726 20 30 FFEDLO CC1=C(C)C[C@](C)(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)CC1 ZINC001078252619 987105989 /nfs/dbraw/zinc/10/59/89/987105989.db2.gz PZASGDDBTWMBHG-MQSCRBSSSA-N 1 2 366.505 2.726 20 30 FFEDLO CC1(C)CCCC[C@H]1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001078288137 987122496 /nfs/dbraw/zinc/12/24/96/987122496.db2.gz PFVQJZWHEVJESK-XUVXKRRUSA-N 1 2 369.509 2.826 20 30 FFEDLO CC1(C)CCCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001078288137 987122498 /nfs/dbraw/zinc/12/24/98/987122498.db2.gz PFVQJZWHEVJESK-XUVXKRRUSA-N 1 2 369.509 2.826 20 30 FFEDLO N#Cc1cccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1Br ZINC001127311017 987806062 /nfs/dbraw/zinc/80/60/62/987806062.db2.gz NTSDEOKSCVCOBM-ZDUSSCGKSA-N 1 2 371.238 2.724 20 30 FFEDLO COc1cc(F)ccc1N[NH+]=Cc1c(N2CCOCC2)nc2ccccn21 ZINC000761890562 987971166 /nfs/dbraw/zinc/97/11/66/987971166.db2.gz NJWIWPDQKQKGFV-UHFFFAOYSA-N 1 2 369.400 2.765 20 30 FFEDLO C[C@@H](CCNc1nc(C#N)c(Cl)s1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001106624281 988519268 /nfs/dbraw/zinc/51/92/68/988519268.db2.gz CECVLQACNVKEEW-IVZWLZJFSA-N 1 2 364.862 2.502 20 30 FFEDLO C[C@@H](CCNc1nc(C#N)c(Cl)s1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001106624281 988519273 /nfs/dbraw/zinc/51/92/73/988519273.db2.gz CECVLQACNVKEEW-IVZWLZJFSA-N 1 2 364.862 2.502 20 30 FFEDLO COc1ccccc1[C@H](C)N(C)C(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000762665912 988565636 /nfs/dbraw/zinc/56/56/36/988565636.db2.gz VDERZKYYTRDWKE-ZDUSSCGKSA-N 1 2 359.401 2.691 20 30 FFEDLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000762663776 988571891 /nfs/dbraw/zinc/57/18/91/988571891.db2.gz FOJXOIYQOMUXFJ-NSHDSACASA-N 1 2 365.355 2.960 20 30 FFEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000879231047 1015423316 /nfs/dbraw/zinc/42/33/16/1015423316.db2.gz RHHJYLVBTMQUAO-UHFFFAOYSA-N 1 2 369.852 2.828 20 30 FFEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000879231047 1015423322 /nfs/dbraw/zinc/42/33/22/1015423322.db2.gz RHHJYLVBTMQUAO-UHFFFAOYSA-N 1 2 369.852 2.828 20 30 FFEDLO Cc1cc(C)c(CNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c[nH+]1 ZINC000922783223 988900361 /nfs/dbraw/zinc/90/03/61/988900361.db2.gz MGBDLXVBOPUSJD-GOSISDBHSA-N 1 2 364.453 2.751 20 30 FFEDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1cccc(F)c1 ZINC000763232961 989247423 /nfs/dbraw/zinc/24/74/23/989247423.db2.gz JKPLCWMTLJKCAC-MOPGFXCFSA-N 1 2 350.397 2.843 20 30 FFEDLO Cc1cc(=O)[nH]c(N[NH+]=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000916241459 989762593 /nfs/dbraw/zinc/76/25/93/989762593.db2.gz CMKLNHGISKQYFU-UHFFFAOYSA-N 1 2 356.386 2.835 20 30 FFEDLO C[C@H](CCCCNc1ncccc1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001090153073 989813788 /nfs/dbraw/zinc/81/37/88/989813788.db2.gz FDVUDIFNDZYAHJ-DJIMGWMZSA-N 1 2 366.469 2.577 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001108158894 990257245 /nfs/dbraw/zinc/25/72/45/990257245.db2.gz NDKYSYCPGQXLNT-HBUWYVDXSA-N 1 2 366.914 2.735 20 30 FFEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001108158894 990257250 /nfs/dbraw/zinc/25/72/50/990257250.db2.gz NDKYSYCPGQXLNT-HBUWYVDXSA-N 1 2 366.914 2.735 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(C[NH2+]Cc2ncc(C)o2)cc1 ZINC001034826374 990291629 /nfs/dbraw/zinc/29/16/29/990291629.db2.gz LYVHHWPWVWKRKL-ICSRJNTNSA-N 1 2 369.465 2.870 20 30 FFEDLO CC#CCCCC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001078992748 990443969 /nfs/dbraw/zinc/44/39/69/990443969.db2.gz JKBRDUUGSHYLBM-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO CC#CCCCC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001078992748 990443973 /nfs/dbraw/zinc/44/39/73/990443973.db2.gz JKBRDUUGSHYLBM-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3Cc4cccnc4N4CCC[C@@H]4C3)o2)c1 ZINC000879499337 1015564682 /nfs/dbraw/zinc/56/46/82/1015564682.db2.gz QDOIWAFJJXLOAN-GOSISDBHSA-N 1 2 372.432 2.988 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3Cc4cccnc4N4CCC[C@@H]4C3)o2)c1 ZINC000879499337 1015564688 /nfs/dbraw/zinc/56/46/88/1015564688.db2.gz QDOIWAFJJXLOAN-GOSISDBHSA-N 1 2 372.432 2.988 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2O)C1 ZINC001083758760 990599355 /nfs/dbraw/zinc/59/93/55/990599355.db2.gz RFGSQJSFEJCGFK-CVEARBPZSA-N 1 2 368.399 2.723 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2O)C1 ZINC001083758760 990599360 /nfs/dbraw/zinc/59/93/60/990599360.db2.gz RFGSQJSFEJCGFK-CVEARBPZSA-N 1 2 368.399 2.723 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879549500 1015584631 /nfs/dbraw/zinc/58/46/31/1015584631.db2.gz RYTAFOSUSRXPRE-JLTOFOAXSA-N 1 2 373.501 2.959 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ncc(C)o1 ZINC001089699912 991423865 /nfs/dbraw/zinc/42/38/65/991423865.db2.gz SCACBWHVNIHGCS-BBWFWOEESA-N 1 2 361.486 2.681 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ncc(C)o1 ZINC001089699912 991423872 /nfs/dbraw/zinc/42/38/72/991423872.db2.gz SCACBWHVNIHGCS-BBWFWOEESA-N 1 2 361.486 2.681 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001064647513 991670437 /nfs/dbraw/zinc/67/04/37/991670437.db2.gz JTIRMJRLPJXUCM-HFSMHLIXSA-N 1 2 370.497 2.585 20 30 FFEDLO Cc1cc(N2C[C@@H]3CCN(C(=O)C#CC(C)(C)C)[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC001090313627 991701475 /nfs/dbraw/zinc/70/14/75/991701475.db2.gz NWVIJFMVISBUGF-DLBZAZTESA-N 1 2 352.482 2.749 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2oc(CC)nc2C)C[C@H]1OC ZINC001212337653 991727515 /nfs/dbraw/zinc/72/75/15/991727515.db2.gz ZNPXBQOCKPAYNA-UKRRQHHQSA-N 1 2 369.893 2.640 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2oc(CC)nc2C)C[C@H]1OC ZINC001212337653 991727524 /nfs/dbraw/zinc/72/75/24/991727524.db2.gz ZNPXBQOCKPAYNA-UKRRQHHQSA-N 1 2 369.893 2.640 20 30 FFEDLO NC(=NOCc1csc(C2CC2)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181846366 991902591 /nfs/dbraw/zinc/90/25/91/991902591.db2.gz VDWTVSFODWWVJD-KRWDZBQOSA-N 1 2 372.494 2.710 20 30 FFEDLO NC(=NOCc1csc(C2CC2)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181846366 991902599 /nfs/dbraw/zinc/90/25/99/991902599.db2.gz VDWTVSFODWWVJD-KRWDZBQOSA-N 1 2 372.494 2.710 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1cc(O)ccc1Cl ZINC001485362743 991919082 /nfs/dbraw/zinc/91/90/82/991919082.db2.gz UKHROZQFKFVWJP-OWQGQXMQSA-N 1 2 366.889 2.963 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1cc(O)ccc1Cl ZINC001485362743 991919087 /nfs/dbraw/zinc/91/90/87/991919087.db2.gz UKHROZQFKFVWJP-OWQGQXMQSA-N 1 2 366.889 2.963 20 30 FFEDLO CC(C)c1nocc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001079840024 992482248 /nfs/dbraw/zinc/48/22/48/992482248.db2.gz QCUMFFFUYYZUTO-RDTXWAMCSA-N 1 2 352.438 2.920 20 30 FFEDLO CC(C)c1nocc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001079840024 992482251 /nfs/dbraw/zinc/48/22/51/992482251.db2.gz QCUMFFFUYYZUTO-RDTXWAMCSA-N 1 2 352.438 2.920 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106961506 992484593 /nfs/dbraw/zinc/48/45/93/992484593.db2.gz LIRTVGKGAQAIOF-AEFFLSMTSA-N 1 2 358.486 2.515 20 30 FFEDLO CCc1cccnc1C(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001080008269 992643608 /nfs/dbraw/zinc/64/36/08/992643608.db2.gz DGEBVTNROXWZHY-AUUYWEPGSA-N 1 2 366.440 2.905 20 30 FFEDLO CCc1cccnc1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001080008269 992643610 /nfs/dbraw/zinc/64/36/10/992643610.db2.gz DGEBVTNROXWZHY-AUUYWEPGSA-N 1 2 366.440 2.905 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001080346178 992977769 /nfs/dbraw/zinc/97/77/69/992977769.db2.gz PZMIERXHEAPWFB-MEBBXXQBSA-N 1 2 363.259 2.522 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001080346178 992977777 /nfs/dbraw/zinc/97/77/77/992977777.db2.gz PZMIERXHEAPWFB-MEBBXXQBSA-N 1 2 363.259 2.522 20 30 FFEDLO CC(C)c1ncncc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080957087 993515394 /nfs/dbraw/zinc/51/53/94/993515394.db2.gz TURPOCNEHLIVSB-DNVCBOLYSA-N 1 2 363.465 2.722 20 30 FFEDLO CC(C)c1ncncc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080957087 993515398 /nfs/dbraw/zinc/51/53/98/993515398.db2.gz TURPOCNEHLIVSB-DNVCBOLYSA-N 1 2 363.465 2.722 20 30 FFEDLO CCc1ncc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)s1 ZINC001081026188 993554009 /nfs/dbraw/zinc/55/40/09/993554009.db2.gz RYMKHEGJFJYZDT-RHSMWYFYSA-N 1 2 371.481 2.946 20 30 FFEDLO CCc1ncc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)s1 ZINC001081026188 993554014 /nfs/dbraw/zinc/55/40/14/993554014.db2.gz RYMKHEGJFJYZDT-RHSMWYFYSA-N 1 2 371.481 2.946 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(NC(C)=O)ccc2F)C1 ZINC001081027179 993554166 /nfs/dbraw/zinc/55/41/66/993554166.db2.gz BWDYYBUMGZRIGL-QLJPJBMISA-N 1 2 353.825 2.587 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(NC(C)=O)ccc2F)C1 ZINC001081027179 993554172 /nfs/dbraw/zinc/55/41/72/993554172.db2.gz BWDYYBUMGZRIGL-QLJPJBMISA-N 1 2 353.825 2.587 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001081022297 993576319 /nfs/dbraw/zinc/57/63/19/993576319.db2.gz QGHRIRDCZRFJTI-GZQABIEMSA-N 1 2 367.468 2.926 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001081022297 993576329 /nfs/dbraw/zinc/57/63/29/993576329.db2.gz QGHRIRDCZRFJTI-GZQABIEMSA-N 1 2 367.468 2.926 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)CC1=CCCCC1 ZINC001081443872 993848750 /nfs/dbraw/zinc/84/87/50/993848750.db2.gz ONCMXWLNVNJYNT-NHCUHLMSSA-N 1 2 370.468 2.883 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)CC1=CCCCC1 ZINC001081443872 993848755 /nfs/dbraw/zinc/84/87/55/993848755.db2.gz ONCMXWLNVNJYNT-NHCUHLMSSA-N 1 2 370.468 2.883 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C1=CCCCCC1 ZINC001081591519 993903726 /nfs/dbraw/zinc/90/37/26/993903726.db2.gz ZMBIAHDNOHSVRA-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C1=CCCCCC1 ZINC001081591519 993903733 /nfs/dbraw/zinc/90/37/33/993903733.db2.gz ZMBIAHDNOHSVRA-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cc(C)sc1C ZINC001081908507 994033220 /nfs/dbraw/zinc/03/32/20/994033220.db2.gz GADZJHKCRLOVHF-WOJBJXKFSA-N 1 2 368.502 2.846 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cc(C)sc1C ZINC001081908507 994033226 /nfs/dbraw/zinc/03/32/26/994033226.db2.gz GADZJHKCRLOVHF-WOJBJXKFSA-N 1 2 368.502 2.846 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1CCC2(CC2)CC1 ZINC001081953414 994067575 /nfs/dbraw/zinc/06/75/75/994067575.db2.gz ZXGNZVXKZVBUEL-WOJBJXKFSA-N 1 2 367.493 2.844 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1CCC2(CC2)CC1 ZINC001081953414 994067580 /nfs/dbraw/zinc/06/75/80/994067580.db2.gz ZXGNZVXKZVBUEL-WOJBJXKFSA-N 1 2 367.493 2.844 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C(C)C)n3)C[C@H]2OC)C1 ZINC001082111331 994194146 /nfs/dbraw/zinc/19/41/46/994194146.db2.gz ZXUYSLZOWPNCCR-RTBURBONSA-N 1 2 357.498 2.877 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C(C)C)n3)C[C@H]2OC)C1 ZINC001082111331 994194157 /nfs/dbraw/zinc/19/41/57/994194157.db2.gz ZXUYSLZOWPNCCR-RTBURBONSA-N 1 2 357.498 2.877 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@]12C[C@H]1CCCC2 ZINC001082114397 994196892 /nfs/dbraw/zinc/19/68/92/994196892.db2.gz JTBRFUYTRQAPBY-JWUVWSEFSA-N 1 2 370.468 2.573 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@]12C[C@H]1CCCC2 ZINC001082114397 994196899 /nfs/dbraw/zinc/19/68/99/994196899.db2.gz JTBRFUYTRQAPBY-JWUVWSEFSA-N 1 2 370.468 2.573 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1CC(C(C)(C)C)C1 ZINC001082392551 994523007 /nfs/dbraw/zinc/52/30/07/994523007.db2.gz NVQMLMVKXFJIEB-NTFDOXNWSA-N 1 2 369.509 2.946 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1CC(C(C)(C)C)C1 ZINC001082392551 994523016 /nfs/dbraw/zinc/52/30/16/994523016.db2.gz NVQMLMVKXFJIEB-NTFDOXNWSA-N 1 2 369.509 2.946 20 30 FFEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1 ZINC000809547803 994545591 /nfs/dbraw/zinc/54/55/91/994545591.db2.gz WIVZOQVULBHXDM-UHFFFAOYSA-N 1 2 352.409 2.530 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)c3nc(C(C)C)no3)C2)cc1 ZINC001082678863 995255326 /nfs/dbraw/zinc/25/53/26/995255326.db2.gz ZBQORAIBTWTOHM-RVKKMQEKSA-N 1 2 366.465 2.986 20 30 FFEDLO CC(C)c1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)n[nH]1 ZINC001082754454 995417004 /nfs/dbraw/zinc/41/70/04/995417004.db2.gz AWGKOFMKNPAMDZ-BFUOFWGJSA-N 1 2 369.444 2.794 20 30 FFEDLO O=C(C1CC2(CCC2)C1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083169154 996133156 /nfs/dbraw/zinc/13/31/56/996133156.db2.gz GBGHUXPLIPCJAN-LEWJYISDSA-N 1 2 364.489 2.530 20 30 FFEDLO O=C(C1CC2(CCC2)C1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083169154 996133160 /nfs/dbraw/zinc/13/31/60/996133160.db2.gz GBGHUXPLIPCJAN-LEWJYISDSA-N 1 2 364.489 2.530 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(Cl)c[nH]3)[C@@H]2C1 ZINC001084185918 996317285 /nfs/dbraw/zinc/31/72/85/996317285.db2.gz PJGMZIOJKYAWCX-CRAIPNDOSA-N 1 2 354.841 2.886 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Cl)c[nH]3)[C@@H]2C1 ZINC001084185918 996317291 /nfs/dbraw/zinc/31/72/91/996317291.db2.gz PJGMZIOJKYAWCX-CRAIPNDOSA-N 1 2 354.841 2.886 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)cn1 ZINC001084191529 996324690 /nfs/dbraw/zinc/32/46/90/996324690.db2.gz QBGTYYWWTJNUCC-UYAOXDASSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)cn1 ZINC001084191529 996324694 /nfs/dbraw/zinc/32/46/94/996324694.db2.gz QBGTYYWWTJNUCC-UYAOXDASSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1ncsc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084207506 996341865 /nfs/dbraw/zinc/34/18/65/996341865.db2.gz POUJSQIBBJQGIC-RHSMWYFYSA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1ncsc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084207506 996341868 /nfs/dbraw/zinc/34/18/68/996341868.db2.gz POUJSQIBBJQGIC-RHSMWYFYSA-N 1 2 370.453 2.809 20 30 FFEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(-c4ccccc4)on3)C[C@H]21 ZINC001084232931 996382134 /nfs/dbraw/zinc/38/21/34/996382134.db2.gz NCIHXRAMKSZIRM-YXJHDRRASA-N 1 2 350.422 2.534 20 30 FFEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)on3)C[C@H]21 ZINC001084232931 996382139 /nfs/dbraw/zinc/38/21/39/996382139.db2.gz NCIHXRAMKSZIRM-YXJHDRRASA-N 1 2 350.422 2.534 20 30 FFEDLO Cc1cnccc1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084328295 996458034 /nfs/dbraw/zinc/45/80/34/996458034.db2.gz VJZIRXPTAIEHBN-OXQOHEQNSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cnccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084328295 996458038 /nfs/dbraw/zinc/45/80/38/996458038.db2.gz VJZIRXPTAIEHBN-OXQOHEQNSA-N 1 2 364.424 2.747 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)c(NC(C)=O)c3)[C@@H]2C1 ZINC001084367189 996493070 /nfs/dbraw/zinc/49/30/70/996493070.db2.gz OMWKKKZWVVKACW-SJLPKXTDSA-N 1 2 361.873 2.852 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)c(NC(C)=O)c3)[C@@H]2C1 ZINC001084367189 996493072 /nfs/dbraw/zinc/49/30/72/996493072.db2.gz OMWKKKZWVVKACW-SJLPKXTDSA-N 1 2 361.873 2.852 20 30 FFEDLO CC(C)c1nocc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084401830 996543681 /nfs/dbraw/zinc/54/36/81/996543681.db2.gz RTXCDRLXRYGEDH-UYAOXDASSA-N 1 2 363.461 2.996 20 30 FFEDLO CC(C)c1nocc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084401830 996543686 /nfs/dbraw/zinc/54/36/86/996543686.db2.gz RTXCDRLXRYGEDH-UYAOXDASSA-N 1 2 363.461 2.996 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COc4ccc(F)cc4C3)[C@@H]2C1 ZINC001084518068 996639549 /nfs/dbraw/zinc/63/95/49/996639549.db2.gz KHIUAMIQQVYDCF-FRFSOERESA-N 1 2 364.848 2.662 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COc4ccc(F)cc4C3)[C@@H]2C1 ZINC001084518068 996639551 /nfs/dbraw/zinc/63/95/51/996639551.db2.gz KHIUAMIQQVYDCF-FRFSOERESA-N 1 2 364.848 2.662 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001084578046 996693076 /nfs/dbraw/zinc/69/30/76/996693076.db2.gz HGOTZCWQEOSALK-TZMCWYRMSA-N 1 2 352.429 2.603 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001084578046 996693080 /nfs/dbraw/zinc/69/30/80/996693080.db2.gz HGOTZCWQEOSALK-TZMCWYRMSA-N 1 2 352.429 2.603 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cocc3C)[C@@H]2C1 ZINC001084583930 996697476 /nfs/dbraw/zinc/69/74/76/996697476.db2.gz BZRLTRQNKWMZRQ-VQIMIIECSA-N 1 2 365.433 2.815 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cocc3C)[C@@H]2C1 ZINC001084583930 996697480 /nfs/dbraw/zinc/69/74/80/996697480.db2.gz BZRLTRQNKWMZRQ-VQIMIIECSA-N 1 2 365.433 2.815 20 30 FFEDLO Cc1ncccc1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084619175 996734256 /nfs/dbraw/zinc/73/42/56/996734256.db2.gz YHEOLGNPJWVDQK-OXQOHEQNSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1ncccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084619175 996734260 /nfs/dbraw/zinc/73/42/60/996734260.db2.gz YHEOLGNPJWVDQK-OXQOHEQNSA-N 1 2 364.424 2.747 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1=O ZINC000824332461 996891337 /nfs/dbraw/zinc/89/13/37/996891337.db2.gz MEGQJTANJQAMFE-IBGZPJMESA-N 1 2 367.449 2.590 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1=O ZINC000824332461 996891351 /nfs/dbraw/zinc/89/13/51/996891351.db2.gz MEGQJTANJQAMFE-IBGZPJMESA-N 1 2 367.449 2.590 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cnc3cc(C)ccn13)CCC2 ZINC001136886554 996981152 /nfs/dbraw/zinc/98/11/52/996981152.db2.gz PRJQRNBGKPFSSK-UHFFFAOYSA-N 1 2 351.454 2.948 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cnc3cc(C)ccn13)CCC2 ZINC001136886554 996981163 /nfs/dbraw/zinc/98/11/63/996981163.db2.gz PRJQRNBGKPFSSK-UHFFFAOYSA-N 1 2 351.454 2.948 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)ccn1 ZINC001084732145 997114377 /nfs/dbraw/zinc/11/43/77/997114377.db2.gz GUUAHHUWFPWXDU-UYAOXDASSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)ccn1 ZINC001084732145 997114384 /nfs/dbraw/zinc/11/43/84/997114384.db2.gz GUUAHHUWFPWXDU-UYAOXDASSA-N 1 2 364.424 2.747 20 30 FFEDLO C[C@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)CCCOC1 ZINC001084744656 997168608 /nfs/dbraw/zinc/16/86/08/997168608.db2.gz QKRSRUUWKNDVLL-BSIFCXSSSA-N 1 2 371.456 2.547 20 30 FFEDLO C[C@]1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)CCCOC1 ZINC001084744656 997168616 /nfs/dbraw/zinc/16/86/16/997168616.db2.gz QKRSRUUWKNDVLL-BSIFCXSSSA-N 1 2 371.456 2.547 20 30 FFEDLO CCCc1nc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)co1 ZINC001084773790 997296672 /nfs/dbraw/zinc/29/66/72/997296672.db2.gz CQNLEOWVGQIRGX-CXAGYDPISA-N 1 2 370.478 2.907 20 30 FFEDLO CCCc1nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)co1 ZINC001084773790 997296684 /nfs/dbraw/zinc/29/66/84/997296684.db2.gz CQNLEOWVGQIRGX-CXAGYDPISA-N 1 2 370.478 2.907 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cccc(F)c4F)C[C@H]32)nc1 ZINC001084783713 997331870 /nfs/dbraw/zinc/33/18/70/997331870.db2.gz GDYBELVXGBPTOG-DNVCBOLYSA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(F)c4F)C[C@H]32)nc1 ZINC001084783713 997331879 /nfs/dbraw/zinc/33/18/79/997331879.db2.gz GDYBELVXGBPTOG-DNVCBOLYSA-N 1 2 367.399 2.688 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CCCOC4)[C@@H]3C2)c1 ZINC001084836750 997603801 /nfs/dbraw/zinc/60/38/01/997603801.db2.gz MMOKMMKQOGGUPV-SQGPQFPESA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CCCOC4)[C@@H]3C2)c1 ZINC001084836750 997603806 /nfs/dbraw/zinc/60/38/06/997603806.db2.gz MMOKMMKQOGGUPV-SQGPQFPESA-N 1 2 371.456 2.547 20 30 FFEDLO C=CCCCN(C)C(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000677295319 1016151424 /nfs/dbraw/zinc/15/14/24/1016151424.db2.gz XMCQDQGLZPNMIF-IBGZPJMESA-N 1 2 368.481 2.782 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cccc4nsnc43)[C@@H]2C1 ZINC001084875569 997752568 /nfs/dbraw/zinc/75/25/68/997752568.db2.gz DVVBQZZDIOKYKB-UKRRQHHQSA-N 1 2 362.886 2.519 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cccc4nsnc43)[C@@H]2C1 ZINC001084875569 997752577 /nfs/dbraw/zinc/75/25/77/997752577.db2.gz DVVBQZZDIOKYKB-UKRRQHHQSA-N 1 2 362.886 2.519 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000844280122 997761880 /nfs/dbraw/zinc/76/18/80/997761880.db2.gz SFUSOSMJNBKXDL-OAHLLOKOSA-N 1 2 360.414 2.956 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000844280122 997761894 /nfs/dbraw/zinc/76/18/94/997761894.db2.gz SFUSOSMJNBKXDL-OAHLLOKOSA-N 1 2 360.414 2.956 20 30 FFEDLO C[N@@H+](Cc1nc(CCc2ccccc2)no1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369588 997814098 /nfs/dbraw/zinc/81/40/98/997814098.db2.gz MOKSQRNAXBRPTC-LJQANCHMSA-N 1 2 362.433 2.892 20 30 FFEDLO C[N@H+](Cc1nc(CCc2ccccc2)no1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369588 997814110 /nfs/dbraw/zinc/81/41/10/997814110.db2.gz MOKSQRNAXBRPTC-LJQANCHMSA-N 1 2 362.433 2.892 20 30 FFEDLO Cn1cccc1C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001084890662 997894174 /nfs/dbraw/zinc/89/41/74/997894174.db2.gz FGLCKGOPTGYQSE-QRWLVFNGSA-N 1 2 366.440 2.772 20 30 FFEDLO Cn1cccc1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001084890662 997894183 /nfs/dbraw/zinc/89/41/83/997894183.db2.gz FGLCKGOPTGYQSE-QRWLVFNGSA-N 1 2 366.440 2.772 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(C1)CC(Nc1cc[nH+]c(C)n1)C2 ZINC001056544153 1016170071 /nfs/dbraw/zinc/17/00/71/1016170071.db2.gz OHORQXMYQYAXNF-WJPLLRQDSA-N 1 2 356.470 2.606 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)[C@H]2C1 ZINC001084907571 998009551 /nfs/dbraw/zinc/00/95/51/998009551.db2.gz ZPCCTYRYFJMKGK-MJGOQNOKSA-N 1 2 370.468 2.715 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N1CC[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@H]2C1 ZINC001084907571 998009560 /nfs/dbraw/zinc/00/95/60/998009560.db2.gz ZPCCTYRYFJMKGK-MJGOQNOKSA-N 1 2 370.468 2.715 20 30 FFEDLO NC(=[NH+]OCc1cc2n(n1)CCC2)c1ccc(OCc2cccnc2)cc1 ZINC000844763861 998149263 /nfs/dbraw/zinc/14/92/63/998149263.db2.gz QMBCPHKTAIJCSH-UHFFFAOYSA-N 1 2 363.421 2.640 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCO[C@@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@@H]21 ZINC001091055843 998378082 /nfs/dbraw/zinc/37/80/82/998378082.db2.gz AEBXNBJWAFLTAN-BPQIPLTHSA-N 1 2 370.497 2.681 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CCO[C@@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@@H]21 ZINC001091056643 998410076 /nfs/dbraw/zinc/41/00/76/998410076.db2.gz PSPLPCJSKYXZSF-FHLIZLRMSA-N 1 2 370.497 2.681 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1coc(C2CC2)n1 ZINC001049732606 1016214610 /nfs/dbraw/zinc/21/46/10/1016214610.db2.gz OLFOZKFHFRDFFJ-YRXWBPOGSA-N 1 2 371.481 2.708 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1coc(C2CC2)n1 ZINC001049732606 1016214613 /nfs/dbraw/zinc/21/46/13/1016214613.db2.gz OLFOZKFHFRDFFJ-YRXWBPOGSA-N 1 2 371.481 2.708 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000732059893 998434005 /nfs/dbraw/zinc/43/40/05/998434005.db2.gz JZBHSTZMPAKTAV-APWZRJJASA-N 1 2 353.466 2.737 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000732059893 998434011 /nfs/dbraw/zinc/43/40/11/998434011.db2.gz JZBHSTZMPAKTAV-APWZRJJASA-N 1 2 353.466 2.737 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1 ZINC000732078429 998459363 /nfs/dbraw/zinc/45/93/63/998459363.db2.gz DTEPFMSRDFYPKE-FQEVSTJZSA-N 1 2 374.444 2.949 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1 ZINC000732078429 998459370 /nfs/dbraw/zinc/45/93/70/998459370.db2.gz DTEPFMSRDFYPKE-FQEVSTJZSA-N 1 2 374.444 2.949 20 30 FFEDLO CC[NH+](CC)[C@@H](C(=O)OCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000732348442 998624998 /nfs/dbraw/zinc/62/49/98/998624998.db2.gz LMOIJOVUQNEVFU-LJQANCHMSA-N 1 2 371.481 2.955 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nccn4CC)[C@H]3C2)cc1 ZINC001085003442 998643008 /nfs/dbraw/zinc/64/30/08/998643008.db2.gz NDLHFROPOBHNPC-QUCCMNQESA-N 1 2 362.477 2.621 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](Cc4nccn4CC)[C@H]3C2)cc1 ZINC001085003442 998643012 /nfs/dbraw/zinc/64/30/12/998643012.db2.gz NDLHFROPOBHNPC-QUCCMNQESA-N 1 2 362.477 2.621 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001085024126 998701067 /nfs/dbraw/zinc/70/10/67/998701067.db2.gz XIDSBLUZEXZHAV-MMOPVJDHSA-N 1 2 371.529 2.947 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001085024126 998701071 /nfs/dbraw/zinc/70/10/71/998701071.db2.gz XIDSBLUZEXZHAV-MMOPVJDHSA-N 1 2 371.529 2.947 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085600958 999583305 /nfs/dbraw/zinc/58/33/05/999583305.db2.gz IPFMBUADRFVHCW-ACRUOGEOSA-N 1 2 354.494 2.632 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085600958 999583307 /nfs/dbraw/zinc/58/33/07/999583307.db2.gz IPFMBUADRFVHCW-ACRUOGEOSA-N 1 2 354.494 2.632 20 30 FFEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719107 999614191 /nfs/dbraw/zinc/61/41/91/999614191.db2.gz KPFRHGSOWVNSLF-BJZITVGISA-N 1 2 359.495 2.612 20 30 FFEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719107 999614192 /nfs/dbraw/zinc/61/41/92/999614192.db2.gz KPFRHGSOWVNSLF-BJZITVGISA-N 1 2 359.495 2.612 20 30 FFEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001085831328 999648414 /nfs/dbraw/zinc/64/84/14/999648414.db2.gz YOATYFYLUHFMSR-NMLBUPMWSA-N 1 2 372.896 2.792 20 30 FFEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001085831328 999648417 /nfs/dbraw/zinc/64/84/17/999648417.db2.gz YOATYFYLUHFMSR-NMLBUPMWSA-N 1 2 372.896 2.792 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1oc(CC)nc1C ZINC001085868899 999666248 /nfs/dbraw/zinc/66/62/48/999666248.db2.gz CFPWUTPWNCZVTC-GJYPPUQNSA-N 1 2 361.486 2.559 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1oc(CC)nc1C ZINC001085868899 999666249 /nfs/dbraw/zinc/66/62/49/999666249.db2.gz CFPWUTPWNCZVTC-GJYPPUQNSA-N 1 2 361.486 2.559 20 30 FFEDLO Cc1cccc(C2(O)CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1C ZINC000741811105 999743772 /nfs/dbraw/zinc/74/37/72/999743772.db2.gz YHHSLDVDGLUVEI-FQEVSTJZSA-N 1 2 363.461 2.685 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000742353727 999769370 /nfs/dbraw/zinc/76/93/70/999769370.db2.gz ATKZXBHZQACUPS-UHFFFAOYSA-N 1 2 363.377 2.858 20 30 FFEDLO CON=Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000743886362 999835303 /nfs/dbraw/zinc/83/53/03/999835303.db2.gz YUDYZHVDJLBMDJ-UHFFFAOYSA-N 1 2 353.422 2.751 20 30 FFEDLO C=CCCC1(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC001066504145 999867092 /nfs/dbraw/zinc/86/70/92/999867092.db2.gz QFTQLACQSREPPY-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCCC1(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC001066504145 999867094 /nfs/dbraw/zinc/86/70/94/999867094.db2.gz QFTQLACQSREPPY-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCO4)c1=O)CCC2 ZINC000766620641 1000031730 /nfs/dbraw/zinc/03/17/30/1000031730.db2.gz VHEUYQBQVSPHOU-GOSISDBHSA-N 1 2 363.417 2.732 20 30 FFEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCO4)c1=O)CCC2 ZINC000766620641 1000031731 /nfs/dbraw/zinc/03/17/31/1000031731.db2.gz VHEUYQBQVSPHOU-GOSISDBHSA-N 1 2 363.417 2.732 20 30 FFEDLO N#Cc1c2c(cn(CN3CCC(CCCn4cc[nH+]c4)CC3)c1=O)CCC2 ZINC000766633680 1000033634 /nfs/dbraw/zinc/03/36/34/1000033634.db2.gz RWXXJYXCCWTIJV-UHFFFAOYSA-N 1 2 365.481 2.555 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1c(F)cncc1F ZINC001095474953 1016383405 /nfs/dbraw/zinc/38/34/05/1016383405.db2.gz JQFKIIMODAGYLU-MNEFBYGVSA-N 1 2 367.399 2.747 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1c(F)cncc1F ZINC001095474953 1016383410 /nfs/dbraw/zinc/38/34/10/1016383410.db2.gz JQFKIIMODAGYLU-MNEFBYGVSA-N 1 2 367.399 2.747 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C#N)c(SC)n2)C1=O ZINC001276131612 1016386150 /nfs/dbraw/zinc/38/61/50/1016386150.db2.gz QYOIZMZZSNMSSP-IBGZPJMESA-N 1 2 356.495 2.818 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C#N)c(SC)n2)C1=O ZINC001276131612 1016386155 /nfs/dbraw/zinc/38/61/55/1016386155.db2.gz QYOIZMZZSNMSSP-IBGZPJMESA-N 1 2 356.495 2.818 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccs1)C2 ZINC001108883557 1000121699 /nfs/dbraw/zinc/12/16/99/1000121699.db2.gz WOVUXUSRABWOQF-PMPSAXMXSA-N 1 2 361.511 2.508 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccs1)C2 ZINC001108883557 1000121700 /nfs/dbraw/zinc/12/17/00/1000121700.db2.gz WOVUXUSRABWOQF-PMPSAXMXSA-N 1 2 361.511 2.508 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)SC)C2 ZINC001108971389 1000140891 /nfs/dbraw/zinc/14/08/91/1000140891.db2.gz HUYXEQOTZXNURN-IEAZIUSSSA-N 1 2 359.495 2.540 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)SC)C2 ZINC001108971389 1000140892 /nfs/dbraw/zinc/14/08/92/1000140892.db2.gz HUYXEQOTZXNURN-IEAZIUSSSA-N 1 2 359.495 2.540 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[C@H]2CCCO2)C3)c1 ZINC001108965706 1000141985 /nfs/dbraw/zinc/14/19/85/1000141985.db2.gz HEPCASZXNXHMCO-JYBIWHBTSA-N 1 2 371.456 2.878 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[C@H]2CCCO2)C3)c1 ZINC001108965706 1000141987 /nfs/dbraw/zinc/14/19/87/1000141987.db2.gz HEPCASZXNXHMCO-JYBIWHBTSA-N 1 2 371.456 2.878 20 30 FFEDLO CCO[C@H](CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109011691 1000149887 /nfs/dbraw/zinc/14/98/87/1000149887.db2.gz PGYCLFZQONVBKJ-XGXHKWSGSA-N 1 2 359.445 2.734 20 30 FFEDLO CCO[C@H](CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109011691 1000149888 /nfs/dbraw/zinc/14/98/88/1000149888.db2.gz PGYCLFZQONVBKJ-XGXHKWSGSA-N 1 2 359.445 2.734 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(-c2ccccc2)o1 ZINC001109066192 1000158546 /nfs/dbraw/zinc/15/85/46/1000158546.db2.gz WCBBLZUDWJCREW-SQNIBIBYSA-N 1 2 367.449 2.766 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(-c2ccccc2)o1 ZINC001109066192 1000158547 /nfs/dbraw/zinc/15/85/47/1000158547.db2.gz WCBBLZUDWJCREW-SQNIBIBYSA-N 1 2 367.449 2.766 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(-c2cccc(F)c2)o1 ZINC001109088477 1000161943 /nfs/dbraw/zinc/16/19/43/1000161943.db2.gz NMTVCAKPVPXJJR-IEAZIUSSSA-N 1 2 368.412 2.862 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(-c2cccc(F)c2)o1 ZINC001109088477 1000161944 /nfs/dbraw/zinc/16/19/44/1000161944.db2.gz NMTVCAKPVPXJJR-IEAZIUSSSA-N 1 2 368.412 2.862 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(-c2cccc(F)c2)o1 ZINC001109088480 1000162231 /nfs/dbraw/zinc/16/22/31/1000162231.db2.gz NMTVCAKPVPXJJR-VZEFYGNVSA-N 1 2 368.412 2.862 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(-c2cccc(F)c2)o1 ZINC001109088480 1000162232 /nfs/dbraw/zinc/16/22/32/1000162232.db2.gz NMTVCAKPVPXJJR-VZEFYGNVSA-N 1 2 368.412 2.862 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)cc(F)c1 ZINC001109212341 1000188225 /nfs/dbraw/zinc/18/82/25/1000188225.db2.gz AZMYAHJCJVICFJ-DFEOGRTESA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)cc(F)c1 ZINC001109212341 1000188228 /nfs/dbraw/zinc/18/82/28/1000188228.db2.gz AZMYAHJCJVICFJ-DFEOGRTESA-N 1 2 350.409 2.513 20 30 FFEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2c(COCC3CC3)nnc2C1 ZINC001171211757 1000203844 /nfs/dbraw/zinc/20/38/44/1000203844.db2.gz IDANVIJXWVOPCN-HNNXBMFYSA-N 1 2 351.454 2.523 20 30 FFEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCn2c(COCC3CC3)nnc2C1 ZINC001171211757 1000203847 /nfs/dbraw/zinc/20/38/47/1000203847.db2.gz IDANVIJXWVOPCN-HNNXBMFYSA-N 1 2 351.454 2.523 20 30 FFEDLO COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC2CC2)C3)c1Cl ZINC001109257543 1000204113 /nfs/dbraw/zinc/20/41/13/1000204113.db2.gz ASXPGCOLPYIAOO-IKGGRYGDSA-N 1 2 358.869 2.984 20 30 FFEDLO COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC2CC2)C3)c1Cl ZINC001109257543 1000204116 /nfs/dbraw/zinc/20/41/16/1000204116.db2.gz ASXPGCOLPYIAOO-IKGGRYGDSA-N 1 2 358.869 2.984 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)C(C)C ZINC001109266182 1000207069 /nfs/dbraw/zinc/20/70/69/1000207069.db2.gz OUVQYEWKRHIFRU-IVAOSVALSA-N 1 2 372.484 2.960 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)C(C)C ZINC001109266182 1000207074 /nfs/dbraw/zinc/20/70/74/1000207074.db2.gz OUVQYEWKRHIFRU-IVAOSVALSA-N 1 2 372.484 2.960 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1Cl ZINC001109267446 1000209444 /nfs/dbraw/zinc/20/94/44/1000209444.db2.gz PGBCXNIFUVJWAN-FXBSTXGRSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1Cl ZINC001109267446 1000209451 /nfs/dbraw/zinc/20/94/51/1000209451.db2.gz PGBCXNIFUVJWAN-FXBSTXGRSA-N 1 2 364.848 2.739 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C(C)C ZINC001109335196 1000284524 /nfs/dbraw/zinc/28/45/24/1000284524.db2.gz MERYPTPDYZBXQK-UKMLZYKCSA-N 1 2 369.937 2.647 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C(C)C ZINC001109335196 1000284531 /nfs/dbraw/zinc/28/45/31/1000284531.db2.gz MERYPTPDYZBXQK-UKMLZYKCSA-N 1 2 369.937 2.647 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(OC)no1 ZINC001109345112 1000304289 /nfs/dbraw/zinc/30/42/89/1000304289.db2.gz NQMIWEOKJHMGNI-XBFCOCLRSA-N 1 2 353.850 2.683 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(OC)no1 ZINC001109345112 1000304292 /nfs/dbraw/zinc/30/42/92/1000304292.db2.gz NQMIWEOKJHMGNI-XBFCOCLRSA-N 1 2 353.850 2.683 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C)OCC ZINC001109361269 1000311867 /nfs/dbraw/zinc/31/18/67/1000311867.db2.gz QHXZDUZRGBWSGG-KCITZHQASA-N 1 2 361.486 2.884 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C)OCC ZINC001109361269 1000311869 /nfs/dbraw/zinc/31/18/69/1000311869.db2.gz QHXZDUZRGBWSGG-KCITZHQASA-N 1 2 361.486 2.884 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC001091289630 1000376167 /nfs/dbraw/zinc/37/61/67/1000376167.db2.gz FRRHLKXOTKZCLL-KFKAGJAMSA-N 1 2 371.529 2.906 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001091289630 1000376171 /nfs/dbraw/zinc/37/61/71/1000376171.db2.gz FRRHLKXOTKZCLL-KFKAGJAMSA-N 1 2 371.529 2.906 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(C#N)cc1F)n1cc[nH+]c1 ZINC001091296022 1000381360 /nfs/dbraw/zinc/38/13/60/1000381360.db2.gz PKTCXRLUVBEQIZ-IAOVAPTHSA-N 1 2 370.432 2.779 20 30 FFEDLO C[C@H](Cc1ccccn1)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000846755621 1000421061 /nfs/dbraw/zinc/42/10/61/1000421061.db2.gz CNKYCSCSSDRIPU-CQSZACIVSA-N 1 2 361.449 2.672 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2C[C@H](OC(C)(C)C)C2)CC1=O ZINC000846756234 1000421509 /nfs/dbraw/zinc/42/15/09/1000421509.db2.gz ICCPBURICTZHFR-HDJSIYSDSA-N 1 2 368.481 2.992 20 30 FFEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3C)CC2)cc1 ZINC000769213290 1000465950 /nfs/dbraw/zinc/46/59/50/1000465950.db2.gz NIUBHDSJJLPJEN-UHFFFAOYSA-N 1 2 362.473 2.894 20 30 FFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccco1 ZINC000769961251 1000635664 /nfs/dbraw/zinc/63/56/64/1000635664.db2.gz JBNTVVGASSUCGV-KXBFYZLASA-N 1 2 365.433 2.919 20 30 FFEDLO C#C[C@H](C)[N@H+](C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccco1 ZINC000769961251 1000635668 /nfs/dbraw/zinc/63/56/68/1000635668.db2.gz JBNTVVGASSUCGV-KXBFYZLASA-N 1 2 365.433 2.919 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1 ZINC001109591215 1000687242 /nfs/dbraw/zinc/68/72/42/1000687242.db2.gz WHWNSAWKRZIACH-SQNIBIBYSA-N 1 2 355.482 2.949 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1 ZINC001109591215 1000687245 /nfs/dbraw/zinc/68/72/45/1000687245.db2.gz WHWNSAWKRZIACH-SQNIBIBYSA-N 1 2 355.482 2.949 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC(C)(C)C ZINC001109592475 1000689620 /nfs/dbraw/zinc/68/96/20/1000689620.db2.gz TUYGDIXZXYTRCC-IKGGRYGDSA-N 1 2 363.546 2.863 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC(C)(C)C ZINC001109592475 1000689628 /nfs/dbraw/zinc/68/96/28/1000689628.db2.gz TUYGDIXZXYTRCC-IKGGRYGDSA-N 1 2 363.546 2.863 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCC1 ZINC001109634568 1000736072 /nfs/dbraw/zinc/73/60/72/1000736072.db2.gz QEIWYOMBSGMVAU-YSHGAJCASA-N 1 2 361.530 2.759 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCC1 ZINC001109634568 1000736078 /nfs/dbraw/zinc/73/60/78/1000736078.db2.gz QEIWYOMBSGMVAU-YSHGAJCASA-N 1 2 361.530 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001109648592 1000776294 /nfs/dbraw/zinc/77/62/94/1000776294.db2.gz RVZPKDMKHNLLEI-WMZOPIPTSA-N 1 2 358.486 2.904 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C1CCCC1 ZINC001110046181 1001374217 /nfs/dbraw/zinc/37/42/17/1001374217.db2.gz RMHMXJFZILKXFZ-IVAOSVALSA-N 1 2 367.493 2.985 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C1CCCC1 ZINC001110046181 1001374223 /nfs/dbraw/zinc/37/42/23/1001374223.db2.gz RMHMXJFZILKXFZ-IVAOSVALSA-N 1 2 367.493 2.985 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C1CC1)C2 ZINC001110067209 1001430393 /nfs/dbraw/zinc/43/03/93/1001430393.db2.gz AQUQGAYECYSRFW-IRWJRLHMSA-N 1 2 373.522 2.651 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C1CC1)C2 ZINC001110067209 1001430397 /nfs/dbraw/zinc/43/03/97/1001430397.db2.gz AQUQGAYECYSRFW-IRWJRLHMSA-N 1 2 373.522 2.651 20 30 FFEDLO CCCCCCCCCNC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000785499165 1001444892 /nfs/dbraw/zinc/44/48/92/1001444892.db2.gz IPTVVZUXGFPFQP-QGZVFWFLSA-N 1 2 362.518 2.993 20 30 FFEDLO Cc1cc(F)ccc1[C@@H](O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000746652176 1001669893 /nfs/dbraw/zinc/66/98/93/1001669893.db2.gz FSYNVDGEWWYASW-NRFANRHFSA-N 1 2 353.441 2.857 20 30 FFEDLO COc1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1C#N ZINC000746716243 1001737011 /nfs/dbraw/zinc/73/70/11/1001737011.db2.gz LIZZDTHJGXRMEM-UHFFFAOYSA-N 1 2 361.405 2.752 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3COc4ccccc43)CC2)cc1 ZINC000746729889 1001766500 /nfs/dbraw/zinc/76/65/00/1001766500.db2.gz XIPIXALIKDMADO-IBGZPJMESA-N 1 2 362.433 2.519 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1CC ZINC001091790136 1001820635 /nfs/dbraw/zinc/82/06/35/1001820635.db2.gz KHBITYUIZNRVOS-DLBZAZTESA-N 1 2 360.502 2.975 20 30 FFEDLO C=CCN1CC[C@]2(CC[N@@H+](Cc3ncc(Br)s3)C2)C1=O ZINC001276204646 1016535434 /nfs/dbraw/zinc/53/54/34/1016535434.db2.gz JLKJXMWMPZHTMR-AWEZNQCLSA-N 1 2 356.289 2.516 20 30 FFEDLO C=CCN1CC[C@]2(CC[N@H+](Cc3ncc(Br)s3)C2)C1=O ZINC001276204646 1016535448 /nfs/dbraw/zinc/53/54/48/1016535448.db2.gz JLKJXMWMPZHTMR-AWEZNQCLSA-N 1 2 356.289 2.516 20 30 FFEDLO Cc1nc(N2CC[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@@H]3C2)c(C)c(C)[nH+]1 ZINC001091852498 1001951867 /nfs/dbraw/zinc/95/18/67/1001951867.db2.gz UWEARAYQPCFOAE-MSOLQXFVSA-N 1 2 354.498 2.736 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)no1 ZINC001096768201 1016569651 /nfs/dbraw/zinc/56/96/51/1016569651.db2.gz AEDIYTJDTYXWIN-LMMKCTJWSA-N 1 2 353.397 2.509 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)no1 ZINC001096768201 1016569662 /nfs/dbraw/zinc/56/96/62/1016569662.db2.gz AEDIYTJDTYXWIN-LMMKCTJWSA-N 1 2 353.397 2.509 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC001096770848 1016572527 /nfs/dbraw/zinc/57/25/27/1016572527.db2.gz SIWOIVASFMETLW-YRXWBPOGSA-N 1 2 358.869 2.592 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC001096770848 1016572538 /nfs/dbraw/zinc/57/25/38/1016572538.db2.gz SIWOIVASFMETLW-YRXWBPOGSA-N 1 2 358.869 2.592 20 30 FFEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H](C#N)c1c(Cl)cccc1Cl ZINC001183128334 1002159366 /nfs/dbraw/zinc/15/93/66/1002159366.db2.gz RUFFFMXBAVEDSH-OLZOCXBDSA-N 1 2 370.280 2.828 20 30 FFEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H](C#N)c1c(Cl)cccc1Cl ZINC001183128334 1002159371 /nfs/dbraw/zinc/15/93/71/1002159371.db2.gz RUFFFMXBAVEDSH-OLZOCXBDSA-N 1 2 370.280 2.828 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(CC)s4)C[C@@]3(C)C2)C1 ZINC001091995954 1002200793 /nfs/dbraw/zinc/20/07/93/1002200793.db2.gz NCRHVBRGHKBGTK-KUHUBIRLSA-N 1 2 360.527 2.737 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(CC)s4)C[C@@]3(C)C2)C1 ZINC001091995954 1002200803 /nfs/dbraw/zinc/20/08/03/1002200803.db2.gz NCRHVBRGHKBGTK-KUHUBIRLSA-N 1 2 360.527 2.737 20 30 FFEDLO Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)n1 ZINC001096820459 1016596177 /nfs/dbraw/zinc/59/61/77/1016596177.db2.gz OMHVIFGSOUXBEF-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)n1 ZINC001096820459 1016596188 /nfs/dbraw/zinc/59/61/88/1016596188.db2.gz OMHVIFGSOUXBEF-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@](O)(CF)CC1 ZINC001183828573 1002400631 /nfs/dbraw/zinc/40/06/31/1002400631.db2.gz JYQUOVPBBXHPPW-CTNGQTDRSA-N 1 2 373.472 2.626 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@](O)(CF)CC1 ZINC001183828573 1002400634 /nfs/dbraw/zinc/40/06/34/1002400634.db2.gz JYQUOVPBBXHPPW-CTNGQTDRSA-N 1 2 373.472 2.626 20 30 FFEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1CCOC(=O)/C=C/c1ccccc1C#N ZINC000774761505 1002659795 /nfs/dbraw/zinc/65/97/95/1002659795.db2.gz BZZKXBFYAJXSJR-DOJUMQAQSA-N 1 2 370.449 2.921 20 30 FFEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CCOC(=O)/C=C/c1ccccc1C#N ZINC000774761505 1002659801 /nfs/dbraw/zinc/65/98/01/1002659801.db2.gz BZZKXBFYAJXSJR-DOJUMQAQSA-N 1 2 370.449 2.921 20 30 FFEDLO Cc1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(Cl)cc2)[nH]1 ZINC001096887178 1016680712 /nfs/dbraw/zinc/68/07/12/1016680712.db2.gz BUMSNZQZYFNGLX-LMMKCTJWSA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(Cl)cc2)[nH]1 ZINC001096887178 1016680718 /nfs/dbraw/zinc/68/07/18/1016680718.db2.gz BUMSNZQZYFNGLX-LMMKCTJWSA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1[nH]nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)c1C ZINC001096891252 1016686604 /nfs/dbraw/zinc/68/66/04/1016686604.db2.gz XCZXJXQWAONTCO-NXHRZFHOSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1[nH]nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)c1C ZINC001096891252 1016686612 /nfs/dbraw/zinc/68/66/12/1016686612.db2.gz XCZXJXQWAONTCO-NXHRZFHOSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1cc(C[N@@H+]2CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC000774911032 1003017373 /nfs/dbraw/zinc/01/73/73/1003017373.db2.gz FOKQDOXKEDFGSV-MAUKXSAKSA-N 1 2 359.470 2.981 20 30 FFEDLO Cc1cc(C[N@H+]2CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC000774911032 1003017385 /nfs/dbraw/zinc/01/73/85/1003017385.db2.gz FOKQDOXKEDFGSV-MAUKXSAKSA-N 1 2 359.470 2.981 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3nonc3C)C[C@H]2c2ccccc2)C1 ZINC001086608128 1003018987 /nfs/dbraw/zinc/01/89/87/1003018987.db2.gz PMPFFHWTRCVMNX-PKOBYXMFSA-N 1 2 366.465 2.819 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3nonc3C)C[C@H]2c2ccccc2)C1 ZINC001086608128 1003018997 /nfs/dbraw/zinc/01/89/97/1003018997.db2.gz PMPFFHWTRCVMNX-PKOBYXMFSA-N 1 2 366.465 2.819 20 30 FFEDLO Cc1cc(N2CC[C@@]3(CNC(=O)C#CC4CC4)CCC[C@@H]23)nc(C2CC2)[nH+]1 ZINC001092696208 1003440815 /nfs/dbraw/zinc/44/08/15/1003440815.db2.gz URJBRYXQDUQTNG-XMSQKQJNSA-N 1 2 364.493 2.941 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc3ccccc3o2)[nH]1 ZINC001096971843 1016789753 /nfs/dbraw/zinc/78/97/53/1016789753.db2.gz XYCZEGHLJFOTLC-XYPHTWIQSA-N 1 2 361.405 2.563 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc3ccccc3o2)[nH]1 ZINC001096971843 1016789764 /nfs/dbraw/zinc/78/97/64/1016789764.db2.gz XYCZEGHLJFOTLC-XYPHTWIQSA-N 1 2 361.405 2.563 20 30 FFEDLO CC(C)=CCC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001196345296 1003747418 /nfs/dbraw/zinc/74/74/18/1003747418.db2.gz FJBJIERIEQGUNC-CEMLEFRQSA-N 1 2 368.521 2.972 20 30 FFEDLO CC(C)=CCC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001196345296 1003747422 /nfs/dbraw/zinc/74/74/22/1003747422.db2.gz FJBJIERIEQGUNC-CEMLEFRQSA-N 1 2 368.521 2.972 20 30 FFEDLO CC(C)CCCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001196660062 1003907029 /nfs/dbraw/zinc/90/70/29/1003907029.db2.gz RIZQIBSUEIOFPP-NHCUHLMSSA-N 1 2 356.510 2.806 20 30 FFEDLO CC(C)CCCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001196660062 1003907032 /nfs/dbraw/zinc/90/70/32/1003907032.db2.gz RIZQIBSUEIOFPP-NHCUHLMSSA-N 1 2 356.510 2.806 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccccc2Br)C[C@H]1O ZINC001191651906 1003915021 /nfs/dbraw/zinc/91/50/21/1003915021.db2.gz MJVHRQHCEQSLIN-DAXOMENPSA-N 1 2 367.287 2.638 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccccc2Br)C[C@H]1O ZINC001191651906 1003915025 /nfs/dbraw/zinc/91/50/25/1003915025.db2.gz MJVHRQHCEQSLIN-DAXOMENPSA-N 1 2 367.287 2.638 20 30 FFEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)c1cnc(C)c(C#N)c1 ZINC001192286055 1004117116 /nfs/dbraw/zinc/11/71/16/1004117116.db2.gz YOKVSNCRYDKZOL-UHFFFAOYSA-N 1 2 362.393 2.666 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCc3nc[nH]c3C23CCCCC3)cc1 ZINC001197750268 1004352832 /nfs/dbraw/zinc/35/28/32/1004352832.db2.gz MVNFSUHTPPWQGO-UHFFFAOYSA-N 1 2 363.465 2.615 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCc3nc[nH]c3C23CCCCC3)cc1 ZINC001197750268 1004352841 /nfs/dbraw/zinc/35/28/41/1004352841.db2.gz MVNFSUHTPPWQGO-UHFFFAOYSA-N 1 2 363.465 2.615 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001057247369 1016874225 /nfs/dbraw/zinc/87/42/25/1016874225.db2.gz PZLJRLJVYBKPMD-HKUYNNGSSA-N 1 2 370.497 2.682 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1O ZINC001193259238 1004423759 /nfs/dbraw/zinc/42/37/59/1004423759.db2.gz XLVZSUJEUNLFQV-HUUCEWRRSA-N 1 2 357.281 2.780 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1O ZINC001193259238 1004423762 /nfs/dbraw/zinc/42/37/62/1004423762.db2.gz XLVZSUJEUNLFQV-HUUCEWRRSA-N 1 2 357.281 2.780 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001193400202 1004475810 /nfs/dbraw/zinc/47/58/10/1004475810.db2.gz KHADUCTWMDWTRH-HZPDHXFCSA-N 1 2 356.388 2.723 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001193400202 1004475818 /nfs/dbraw/zinc/47/58/18/1004475818.db2.gz KHADUCTWMDWTRH-HZPDHXFCSA-N 1 2 356.388 2.723 20 30 FFEDLO C#CCC(CC#C)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000807474006 1004614084 /nfs/dbraw/zinc/61/40/84/1004614084.db2.gz RDWRNIABZFSFOL-SFHVURJKSA-N 1 2 352.478 2.781 20 30 FFEDLO C#CCC(CC#C)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000807474006 1004614087 /nfs/dbraw/zinc/61/40/87/1004614087.db2.gz RDWRNIABZFSFOL-SFHVURJKSA-N 1 2 352.478 2.781 20 30 FFEDLO C[C@H]1CCc2c1n[nH]c2C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001198464192 1004626817 /nfs/dbraw/zinc/62/68/17/1004626817.db2.gz SJBAPZHRERXSFV-HNNXBMFYSA-N 1 2 363.465 2.748 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)c2ncc(C)o2)C1 ZINC001131001513 1004636867 /nfs/dbraw/zinc/63/68/67/1004636867.db2.gz DULAOEQHZAHMFQ-GVDBMIGSSA-N 1 2 371.485 2.718 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](CO)c1cc(F)ccc1F ZINC001198686256 1004710122 /nfs/dbraw/zinc/71/01/22/1004710122.db2.gz STBCVFOXVZBFLH-INIZCTEOSA-N 1 2 365.767 2.752 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC001194551010 1004758159 /nfs/dbraw/zinc/75/81/59/1004758159.db2.gz CQLZCFMGUACIBC-CVEARBPZSA-N 1 2 362.905 2.859 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC001194551010 1004758154 /nfs/dbraw/zinc/75/81/54/1004758154.db2.gz CQLZCFMGUACIBC-CVEARBPZSA-N 1 2 362.905 2.859 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC001194551018 1004758225 /nfs/dbraw/zinc/75/82/25/1004758225.db2.gz CQLZCFMGUACIBC-JKSUJKDBSA-N 1 2 362.905 2.859 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC001194551018 1004758231 /nfs/dbraw/zinc/75/82/31/1004758231.db2.gz CQLZCFMGUACIBC-JKSUJKDBSA-N 1 2 362.905 2.859 20 30 FFEDLO CCCC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O)C(C)C ZINC001199155600 1004849789 /nfs/dbraw/zinc/84/97/89/1004849789.db2.gz UCEJUSMYNLFPBG-KZNAEPCWSA-N 1 2 363.527 2.743 20 30 FFEDLO CCCC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O)C(C)C ZINC001199155600 1004849791 /nfs/dbraw/zinc/84/97/91/1004849791.db2.gz UCEJUSMYNLFPBG-KZNAEPCWSA-N 1 2 363.527 2.743 20 30 FFEDLO CCCc1nc(CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)cs1 ZINC000101540862 1004860659 /nfs/dbraw/zinc/86/06/59/1004860659.db2.gz HOWAXAXIIQNSRL-UHFFFAOYSA-N 1 2 374.510 2.765 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(Cl)c2)C[C@H]1O ZINC001195532032 1004986577 /nfs/dbraw/zinc/98/65/77/1004986577.db2.gz LNDDVBBRMZBOGX-IAOVAPTHSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(Cl)c2)C[C@H]1O ZINC001195532032 1004986581 /nfs/dbraw/zinc/98/65/81/1004986581.db2.gz LNDDVBBRMZBOGX-IAOVAPTHSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccc2Cl)C[C@H]1O ZINC001195533043 1004986616 /nfs/dbraw/zinc/98/66/16/1004986616.db2.gz XDVOTAJKVHKTFN-FSPWUOQZSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccc2Cl)C[C@H]1O ZINC001195533043 1004986622 /nfs/dbraw/zinc/98/66/22/1004986622.db2.gz XDVOTAJKVHKTFN-FSPWUOQZSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2Cl)C[C@H]1O ZINC001195567798 1004999268 /nfs/dbraw/zinc/99/92/68/1004999268.db2.gz STLHKZAHFKTZES-NUEKZKHPSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2Cl)C[C@H]1O ZINC001195567798 1004999273 /nfs/dbraw/zinc/99/92/73/1004999273.db2.gz STLHKZAHFKTZES-NUEKZKHPSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CCN1c2ccc(Nc3ccc(N)[nH+]c3)cc2C2(CCOCC2)C1=O ZINC001201284684 1005187340 /nfs/dbraw/zinc/18/73/40/1005187340.db2.gz VXRMLDYRUUKPBV-UHFFFAOYSA-N 1 2 350.422 2.988 20 30 FFEDLO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)cc3)C2)cc1C#N ZINC001201336236 1005203327 /nfs/dbraw/zinc/20/33/27/1005203327.db2.gz COGHNNMPYPEYQW-GOSISDBHSA-N 1 2 373.453 2.559 20 30 FFEDLO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)cc1C#N ZINC001201336236 1005203330 /nfs/dbraw/zinc/20/33/30/1005203330.db2.gz COGHNNMPYPEYQW-GOSISDBHSA-N 1 2 373.453 2.559 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(F)C(F)(F)F)C3)cc1 ZINC001110581055 1005346502 /nfs/dbraw/zinc/34/65/02/1005346502.db2.gz FGZWYNYMENIHCP-KBXIAJHMSA-N 1 2 355.335 2.680 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(F)C(F)(F)F)C3)cc1 ZINC001110581055 1005346506 /nfs/dbraw/zinc/34/65/06/1005346506.db2.gz FGZWYNYMENIHCP-KBXIAJHMSA-N 1 2 355.335 2.680 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@H](C)c2cccs2)[C@@H]1C ZINC001489283351 1005448058 /nfs/dbraw/zinc/44/80/58/1005448058.db2.gz ZOALCEQUVMNKAQ-KFWWJZLASA-N 1 2 363.527 2.717 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)N[C@H](C)c2cccs2)[C@@H]1C ZINC001489283351 1005448060 /nfs/dbraw/zinc/44/80/60/1005448060.db2.gz ZOALCEQUVMNKAQ-KFWWJZLASA-N 1 2 363.527 2.717 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NCc1ccco1 ZINC001110602106 1005483739 /nfs/dbraw/zinc/48/37/39/1005483739.db2.gz BNNKXZVVVVNYFA-IDCNUPLLSA-N 1 2 373.497 2.608 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NCc1ccco1 ZINC001110602106 1005483740 /nfs/dbraw/zinc/48/37/40/1005483740.db2.gz BNNKXZVVVVNYFA-IDCNUPLLSA-N 1 2 373.497 2.608 20 30 FFEDLO CC(C)CNC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000852319456 1005976258 /nfs/dbraw/zinc/97/62/58/1005976258.db2.gz NFTRQZRXEQWTDW-MRXNPFEDSA-N 1 2 356.470 2.637 20 30 FFEDLO CC(C)CNC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000852319456 1005976268 /nfs/dbraw/zinc/97/62/68/1005976268.db2.gz NFTRQZRXEQWTDW-MRXNPFEDSA-N 1 2 356.470 2.637 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(CCCC)n3)C[C@H]21 ZINC001187281093 1005998207 /nfs/dbraw/zinc/99/82/07/1005998207.db2.gz RWRKFJMRJOTGOC-DOTOQJQBSA-N 1 2 363.527 2.721 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2C[N@H+](Cc3csc(CCCC)n3)C[C@H]21 ZINC001187281093 1005998215 /nfs/dbraw/zinc/99/82/15/1005998215.db2.gz RWRKFJMRJOTGOC-DOTOQJQBSA-N 1 2 363.527 2.721 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)c2ncc(C)o2)CCOCC1 ZINC001110651048 1006060027 /nfs/dbraw/zinc/06/00/27/1006060027.db2.gz KTNZKJQXAPRRDP-TVFCKZIOSA-N 1 2 371.481 2.586 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)c2ncc(C)o2)CCOCC1 ZINC001110651048 1006060035 /nfs/dbraw/zinc/06/00/35/1006060035.db2.gz KTNZKJQXAPRRDP-TVFCKZIOSA-N 1 2 371.481 2.586 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4ccco4)no3)C[C@H]21 ZINC001187569328 1006157148 /nfs/dbraw/zinc/15/71/48/1006157148.db2.gz GZVKMSNFZLLBJG-JKSUJKDBSA-N 1 2 368.437 2.556 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4ccco4)no3)C[C@H]21 ZINC001187569328 1006157159 /nfs/dbraw/zinc/15/71/59/1006157159.db2.gz GZVKMSNFZLLBJG-JKSUJKDBSA-N 1 2 368.437 2.556 20 30 FFEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000852752435 1006168812 /nfs/dbraw/zinc/16/88/12/1006168812.db2.gz YPLPVWRLJHPFCR-UHFFFAOYSA-N 1 2 368.481 2.708 20 30 FFEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000852752435 1006168818 /nfs/dbraw/zinc/16/88/18/1006168818.db2.gz YPLPVWRLJHPFCR-UHFFFAOYSA-N 1 2 368.481 2.708 20 30 FFEDLO COc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)sn1 ZINC001097096999 1017031474 /nfs/dbraw/zinc/03/14/74/1017031474.db2.gz BEBZJIZIPRSUNG-OAGGEKHMSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2)sn1 ZINC001097096999 1017031480 /nfs/dbraw/zinc/03/14/80/1017031480.db2.gz BEBZJIZIPRSUNG-OAGGEKHMSA-N 1 2 368.462 2.559 20 30 FFEDLO CC(C)(C)C#CC(=O)N1CC[C@H]2C[N@H+](Cc3nc4c(o3)CCCC4)C[C@H]21 ZINC001187857365 1006278680 /nfs/dbraw/zinc/27/86/80/1006278680.db2.gz KKJKOOZNIPPUAM-DOTOQJQBSA-N 1 2 355.482 2.636 20 30 FFEDLO CC(C)(C)C#CC(=O)N1CC[C@H]2C[N@@H+](Cc3nc4c(o3)CCCC4)C[C@H]21 ZINC001187857365 1006278694 /nfs/dbraw/zinc/27/86/94/1006278694.db2.gz KKJKOOZNIPPUAM-DOTOQJQBSA-N 1 2 355.482 2.636 20 30 FFEDLO CCc1nocc1C[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000815171610 1006542524 /nfs/dbraw/zinc/54/25/24/1006542524.db2.gz DUGOVRPVFNBTQC-OAHLLOKOSA-N 1 2 361.405 2.906 20 30 FFEDLO CCc1nocc1C[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000815171610 1006542531 /nfs/dbraw/zinc/54/25/31/1006542531.db2.gz DUGOVRPVFNBTQC-OAHLLOKOSA-N 1 2 361.405 2.906 20 30 FFEDLO C#CCCN(CCOC)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000853885571 1006571237 /nfs/dbraw/zinc/57/12/37/1006571237.db2.gz OPXHBCHCGMTYDV-HXUWFJFHSA-N 1 2 368.481 2.923 20 30 FFEDLO C#Cc1ccc(C(=O)NCCSCc2csc(C[NH+](C)C)n2)cc1 ZINC001188740186 1006709322 /nfs/dbraw/zinc/70/93/22/1006709322.db2.gz XTQPVYMIBAFTFM-UHFFFAOYSA-N 1 2 359.520 2.849 20 30 FFEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCOC1 ZINC000883880122 1007057426 /nfs/dbraw/zinc/05/74/26/1007057426.db2.gz IVCMVOVBYYKHBH-UXHICEINSA-N 1 2 370.497 2.591 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]3C[N@@H+](Cc4nccn4C)C[C@H]32)CCCCC1 ZINC001189406162 1007068644 /nfs/dbraw/zinc/06/86/44/1007068644.db2.gz HWQXCRIEXUTMLY-ZWKOTPCHSA-N 1 2 356.514 2.979 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]3C[N@H+](Cc4nccn4C)C[C@H]32)CCCCC1 ZINC001189406162 1007068657 /nfs/dbraw/zinc/06/86/57/1007068657.db2.gz HWQXCRIEXUTMLY-ZWKOTPCHSA-N 1 2 356.514 2.979 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C\COc3ccccc3)CC2)cc1 ZINC000816806353 1007211630 /nfs/dbraw/zinc/21/16/30/1007211630.db2.gz ZHOYPGXTHVMMEO-DAXSKMNVSA-N 1 2 361.445 2.838 20 30 FFEDLO C=CCC1(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC001190835841 1007802011 /nfs/dbraw/zinc/80/20/11/1007802011.db2.gz BDKPMVUKLQVGDP-HNNXBMFYSA-N 1 2 354.903 2.942 20 30 FFEDLO C=CCC1(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)CC1 ZINC001190835841 1007802022 /nfs/dbraw/zinc/80/20/22/1007802022.db2.gz BDKPMVUKLQVGDP-HNNXBMFYSA-N 1 2 354.903 2.942 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001206428972 1032279529 /nfs/dbraw/zinc/27/95/29/1032279529.db2.gz KZZZIXCKAYSNST-IJEWVQPXSA-N 1 2 351.516 2.623 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001206428972 1032279544 /nfs/dbraw/zinc/27/95/44/1032279544.db2.gz KZZZIXCKAYSNST-IJEWVQPXSA-N 1 2 351.516 2.623 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c(C)n1-c1ccc(C#N)cc1 ZINC000857946440 1008256279 /nfs/dbraw/zinc/25/62/79/1008256279.db2.gz VJKVDMJIZXYPLX-QGZVFWFLSA-N 1 2 359.433 2.907 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1)C1CC1 ZINC000858013659 1008276575 /nfs/dbraw/zinc/27/65/75/1008276575.db2.gz JRULNLGQNWOUQD-RXVVDRJESA-N 1 2 368.481 2.611 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1)C1CC1 ZINC000858013659 1008276579 /nfs/dbraw/zinc/27/65/79/1008276579.db2.gz JRULNLGQNWOUQD-RXVVDRJESA-N 1 2 368.481 2.611 20 30 FFEDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)[C@H](C#N)Cc2cccs2)CC1 ZINC001177907512 1008778324 /nfs/dbraw/zinc/77/83/24/1008778324.db2.gz BCNIGAAOWVGMOH-HNNXBMFYSA-N 1 2 354.479 2.899 20 30 FFEDLO C[C@@H](C[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1)NC(=O)OC(C)(C)C ZINC000860093409 1008827776 /nfs/dbraw/zinc/82/77/76/1008827776.db2.gz AKTQZSOOZUDELI-ZDUSSCGKSA-N 1 2 371.441 2.953 20 30 FFEDLO C[C@@H](C[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1)NC(=O)OC(C)(C)C ZINC000860093409 1008827788 /nfs/dbraw/zinc/82/77/88/1008827788.db2.gz AKTQZSOOZUDELI-ZDUSSCGKSA-N 1 2 371.441 2.953 20 30 FFEDLO C#CCC1(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CCC1 ZINC000886790292 1008879818 /nfs/dbraw/zinc/87/98/18/1008879818.db2.gz ZCKKAAGWAJMHGD-UHFFFAOYSA-N 1 2 350.422 2.588 20 30 FFEDLO O=C(C#Cc1ccc(F)cc1F)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001178569174 1009046053 /nfs/dbraw/zinc/04/60/53/1009046053.db2.gz QTHIWROUKBBQOK-MRXNPFEDSA-N 1 2 354.347 2.648 20 30 FFEDLO C=C1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3nc(C4CC4)nn3C)C[C@H]2C)CC1 ZINC001092939905 1009489853 /nfs/dbraw/zinc/48/98/53/1009489853.db2.gz CVASBGBHAMQCOK-CRAIPNDOSA-N 1 2 371.529 2.623 20 30 FFEDLO C=C1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3nc(C4CC4)nn3C)C[C@H]2C)CC1 ZINC001092939905 1009489859 /nfs/dbraw/zinc/48/98/59/1009489859.db2.gz CVASBGBHAMQCOK-CRAIPNDOSA-N 1 2 371.529 2.623 20 30 FFEDLO CC#CCCCCCCCC(=O)N1CC[C@H]2C[N@@H+](COCCOC)C[C@H]21 ZINC001274164169 1009520243 /nfs/dbraw/zinc/52/02/43/1009520243.db2.gz MIJAANDJQGLZFY-VQTJNVASSA-N 1 2 364.530 2.894 20 30 FFEDLO CC#CCCCCCCCC(=O)N1CC[C@H]2C[N@H+](COCCOC)C[C@H]21 ZINC001274164169 1009520258 /nfs/dbraw/zinc/52/02/58/1009520258.db2.gz MIJAANDJQGLZFY-VQTJNVASSA-N 1 2 364.530 2.894 20 30 FFEDLO Cc1cccn2cc(CC(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)[nH+]c12 ZINC000887728832 1009539697 /nfs/dbraw/zinc/53/96/97/1009539697.db2.gz BSOAHUNLKKYIFE-IBGZPJMESA-N 1 2 360.417 2.657 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3cccc(CC#N)c3)C2)cc1 ZINC000826603049 1009801044 /nfs/dbraw/zinc/80/10/44/1009801044.db2.gz BSELIPKNDIDZAW-NRFANRHFSA-N 1 2 363.461 2.692 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)c3cccc(CC#N)c3)C2)cc1 ZINC000826603049 1009801064 /nfs/dbraw/zinc/80/10/64/1009801064.db2.gz BSELIPKNDIDZAW-NRFANRHFSA-N 1 2 363.461 2.692 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)cc(Cl)c1OC ZINC000862421084 1009834721 /nfs/dbraw/zinc/83/47/21/1009834721.db2.gz GPSOLQSKDQTNBU-UHFFFAOYSA-N 1 2 372.856 2.946 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3C[C@H](c4ccccc4)OC3=O)C2)nc1 ZINC000863268104 1010150211 /nfs/dbraw/zinc/15/02/11/1010150211.db2.gz MEWPHBRJJHIKLR-QZTJIDSGSA-N 1 2 364.405 2.557 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3C[C@H](c4ccccc4)OC3=O)C2)nc1 ZINC000863268104 1010150218 /nfs/dbraw/zinc/15/02/18/1010150218.db2.gz MEWPHBRJJHIKLR-QZTJIDSGSA-N 1 2 364.405 2.557 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1)C1CCC1 ZINC001110868690 1011285114 /nfs/dbraw/zinc/28/51/14/1011285114.db2.gz OPTKIVCCOACFIX-RSPOEFSDSA-N 1 2 371.456 2.734 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1)C1CCC1 ZINC001110868690 1011285127 /nfs/dbraw/zinc/28/51/27/1011285127.db2.gz OPTKIVCCOACFIX-RSPOEFSDSA-N 1 2 371.456 2.734 20 30 FFEDLO N#C[C@]1(c2ccccn2)CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000869234196 1011685548 /nfs/dbraw/zinc/68/55/48/1011685548.db2.gz PGHOHFCTOJQOBK-JOCHJYFZSA-N 1 2 371.444 2.894 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CCCC1(C)C ZINC000411003583 1011710422 /nfs/dbraw/zinc/71/04/22/1011710422.db2.gz OLWJHPXRRYTZBW-IRXDYDNUSA-N 1 2 372.513 2.719 20 30 FFEDLO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCOC[C@@H]1CNC(=O)OC(C)(C)C ZINC001172311671 1011740665 /nfs/dbraw/zinc/74/06/65/1011740665.db2.gz VSPFOMOTMDJFRK-QAPCUYQASA-N 1 2 359.470 2.715 20 30 FFEDLO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCOC[C@@H]1CNC(=O)OC(C)(C)C ZINC001172311671 1011740676 /nfs/dbraw/zinc/74/06/76/1011740676.db2.gz VSPFOMOTMDJFRK-QAPCUYQASA-N 1 2 359.470 2.715 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@@]12CC(=O)N(CC(F)F)C2 ZINC001275037845 1011846468 /nfs/dbraw/zinc/84/64/68/1011846468.db2.gz GVYFHHRFMUETEC-SFHVURJKSA-N 1 2 351.372 2.919 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@]12CC(=O)N(CC(F)F)C2 ZINC001275037845 1011846483 /nfs/dbraw/zinc/84/64/83/1011846483.db2.gz GVYFHHRFMUETEC-SFHVURJKSA-N 1 2 351.372 2.919 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCC(C)(C)C2)cc1C#N ZINC001275062948 1011868383 /nfs/dbraw/zinc/86/83/83/1011868383.db2.gz GBNNLSMCRBJHJI-KURKYZTESA-N 1 2 354.498 2.898 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCC(C)(C)C2)cc1C#N ZINC001275062948 1011868400 /nfs/dbraw/zinc/86/84/00/1011868400.db2.gz GBNNLSMCRBJHJI-KURKYZTESA-N 1 2 354.498 2.898 20 30 FFEDLO CC[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988262 1012156306 /nfs/dbraw/zinc/15/63/06/1012156306.db2.gz AFECJTKIKZQRFT-GJZGRUSLSA-N 1 2 367.490 2.942 20 30 FFEDLO CC[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988262 1012156326 /nfs/dbraw/zinc/15/63/26/1012156326.db2.gz AFECJTKIKZQRFT-GJZGRUSLSA-N 1 2 367.490 2.942 20 30 FFEDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988614 1012156474 /nfs/dbraw/zinc/15/64/74/1012156474.db2.gz CBSJMSBDDFYILL-KKUMJFAQSA-N 1 2 367.490 2.940 20 30 FFEDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988614 1012156484 /nfs/dbraw/zinc/15/64/84/1012156484.db2.gz CBSJMSBDDFYILL-KKUMJFAQSA-N 1 2 367.490 2.940 20 30 FFEDLO COc1cccc([C@@H]2CN(C(=O)[C@@H](C)Oc3ccccc3C#N)CC[NH2+]2)c1 ZINC000870147385 1012201541 /nfs/dbraw/zinc/20/15/41/1012201541.db2.gz CIJXPNYSSFYIMO-BEFAXECRSA-N 1 2 365.433 2.507 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(Br)n1 ZINC001275344139 1012343288 /nfs/dbraw/zinc/34/32/88/1012343288.db2.gz GYXGYVAAYDYREM-KRWDZBQOSA-N 1 2 364.287 2.987 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(Br)n1 ZINC001275344139 1012343296 /nfs/dbraw/zinc/34/32/96/1012343296.db2.gz GYXGYVAAYDYREM-KRWDZBQOSA-N 1 2 364.287 2.987 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2occc2C(C)C)C3)C1=O ZINC001095908319 1012404340 /nfs/dbraw/zinc/40/43/40/1012404340.db2.gz MIQADXJTKDGVOB-LAVFITLUSA-N 1 2 371.481 2.525 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2occc2C(C)C)C3)C1=O ZINC001095908319 1012404353 /nfs/dbraw/zinc/40/43/53/1012404353.db2.gz MIQADXJTKDGVOB-LAVFITLUSA-N 1 2 371.481 2.525 20 30 FFEDLO Cc1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccc(C#N)c2)no1 ZINC001275397403 1012419657 /nfs/dbraw/zinc/41/96/57/1012419657.db2.gz OQGDUOMFSKJGNW-RTBURBONSA-N 1 2 350.422 2.620 20 30 FFEDLO Cc1cc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccc(C#N)c2)no1 ZINC001275397403 1012419667 /nfs/dbraw/zinc/41/96/67/1012419667.db2.gz OQGDUOMFSKJGNW-RTBURBONSA-N 1 2 350.422 2.620 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(-c3ccc(F)cc3)on2)C1=O ZINC001275401452 1012426662 /nfs/dbraw/zinc/42/66/62/1012426662.db2.gz MISJQZDZIMFCKM-FQEVSTJZSA-N 1 2 353.397 2.681 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(-c3ccc(F)cc3)on2)C1=O ZINC001275401452 1012426672 /nfs/dbraw/zinc/42/66/72/1012426672.db2.gz MISJQZDZIMFCKM-FQEVSTJZSA-N 1 2 353.397 2.681 20 30 FFEDLO N#Cc1cccc(CN2C[C@@]3(CC2=O)CCCC[N@@H+]3Cc2ncco2)c1 ZINC001275430200 1012455549 /nfs/dbraw/zinc/45/55/49/1012455549.db2.gz JOHCXRBLLSIYQD-FQEVSTJZSA-N 1 2 350.422 2.703 20 30 FFEDLO N#Cc1cccc(CN2C[C@@]3(CC2=O)CCCC[N@H+]3Cc2ncco2)c1 ZINC001275430200 1012455559 /nfs/dbraw/zinc/45/55/59/1012455559.db2.gz JOHCXRBLLSIYQD-FQEVSTJZSA-N 1 2 350.422 2.703 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1nc3ccccc3s1)C2 ZINC001275485858 1012526827 /nfs/dbraw/zinc/52/68/27/1012526827.db2.gz BPEFYRGUHSHXAT-LJQANCHMSA-N 1 2 357.479 2.533 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1nc3ccccc3s1)C2 ZINC001275485858 1012526836 /nfs/dbraw/zinc/52/68/36/1012526836.db2.gz BPEFYRGUHSHXAT-LJQANCHMSA-N 1 2 357.479 2.533 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2CCc2c(Cl)ncnc2Cl)C1=O ZINC001275532714 1012587410 /nfs/dbraw/zinc/58/74/10/1012587410.db2.gz QHYHGMIRIFUCSP-QGZVFWFLSA-N 1 2 369.296 2.969 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2CCc2c(Cl)ncnc2Cl)C1=O ZINC001275532714 1012587422 /nfs/dbraw/zinc/58/74/22/1012587422.db2.gz QHYHGMIRIFUCSP-QGZVFWFLSA-N 1 2 369.296 2.969 20 30 FFEDLO C#CCN1CCC2(CC[NH+](Cc3c(Cl)ccnc3Cl)CC2)C1=O ZINC001275597809 1012673651 /nfs/dbraw/zinc/67/36/51/1012673651.db2.gz JCCDWOIDDQYIHN-UHFFFAOYSA-N 1 2 352.265 2.836 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cnc(Cl)c(C)c1)C2 ZINC001275637087 1012739989 /nfs/dbraw/zinc/73/99/89/1012739989.db2.gz PDMCQKXREDMQAV-IBGZPJMESA-N 1 2 363.889 2.670 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cnc(Cl)c(C)c1)C2 ZINC001275637087 1012740002 /nfs/dbraw/zinc/74/00/02/1012740002.db2.gz PDMCQKXREDMQAV-IBGZPJMESA-N 1 2 363.889 2.670 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(C)cn1)c1ccccc1 ZINC001111443361 1017104439 /nfs/dbraw/zinc/10/44/39/1017104439.db2.gz ILPGACGIKOQVQV-NCYKPQTJSA-N 1 2 362.477 2.976 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(C)cn1)c1ccccc1 ZINC001111443361 1017104444 /nfs/dbraw/zinc/10/44/44/1017104444.db2.gz ILPGACGIKOQVQV-NCYKPQTJSA-N 1 2 362.477 2.976 20 30 FFEDLO CCCCCC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001217300383 1032682700 /nfs/dbraw/zinc/68/27/00/1032682700.db2.gz CAQHIDXZDAKBLK-VQTJNVASSA-N 1 2 358.457 2.669 20 30 FFEDLO CCCCCC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001217300383 1032682708 /nfs/dbraw/zinc/68/27/08/1032682708.db2.gz CAQHIDXZDAKBLK-VQTJNVASSA-N 1 2 358.457 2.669 20 30 FFEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001050958562 1017186466 /nfs/dbraw/zinc/18/64/66/1017186466.db2.gz UQDLUEWARAAKAP-ZCNNSNEGSA-N 1 2 358.482 2.547 20 30 FFEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001050958562 1017186473 /nfs/dbraw/zinc/18/64/73/1017186473.db2.gz UQDLUEWARAAKAP-ZCNNSNEGSA-N 1 2 358.482 2.547 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(C3CC3)o1)C2 ZINC001097245268 1017242722 /nfs/dbraw/zinc/24/27/22/1017242722.db2.gz QLOCROBHUZJCRH-KURKYZTESA-N 1 2 362.433 2.959 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(C3CC3)o1)C2 ZINC001097245268 1017242731 /nfs/dbraw/zinc/24/27/31/1017242731.db2.gz QLOCROBHUZJCRH-KURKYZTESA-N 1 2 362.433 2.959 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001097253824 1017251616 /nfs/dbraw/zinc/25/16/16/1017251616.db2.gz QRAYVUBOHXXKBB-JFHUYLGKSA-N 1 2 370.468 2.714 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001097253824 1017251625 /nfs/dbraw/zinc/25/16/25/1017251625.db2.gz QRAYVUBOHXXKBB-JFHUYLGKSA-N 1 2 370.468 2.714 20 30 FFEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001051195895 1017251975 /nfs/dbraw/zinc/25/19/75/1017251975.db2.gz XLUNNXNXNOANOV-SOUVJXGZSA-N 1 2 368.399 2.601 20 30 FFEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001051195895 1017251982 /nfs/dbraw/zinc/25/19/82/1017251982.db2.gz XLUNNXNXNOANOV-SOUVJXGZSA-N 1 2 368.399 2.601 20 30 FFEDLO Cc1nc(N2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@H]2C)ccc1C#N ZINC001051220537 1017254816 /nfs/dbraw/zinc/25/48/16/1017254816.db2.gz UXITUBVMOSSVSA-CJNGLKHVSA-N 1 2 360.421 2.535 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)c1ccco1 ZINC001110892378 1017257809 /nfs/dbraw/zinc/25/78/09/1017257809.db2.gz WYWMEJDBMFXLSK-VQHPVUNQSA-N 1 2 373.497 2.781 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)c1ccco1 ZINC001110892378 1017257816 /nfs/dbraw/zinc/25/78/16/1017257816.db2.gz WYWMEJDBMFXLSK-VQHPVUNQSA-N 1 2 373.497 2.781 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccsn2)C3)cc1F ZINC001097307252 1017317309 /nfs/dbraw/zinc/31/73/09/1017317309.db2.gz YDVMQHYFGNFYCG-XYPHTWIQSA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccsn2)C3)cc1F ZINC001097307252 1017317317 /nfs/dbraw/zinc/31/73/17/1017317317.db2.gz YDVMQHYFGNFYCG-XYPHTWIQSA-N 1 2 356.426 2.689 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001055461520 1017548937 /nfs/dbraw/zinc/54/89/37/1017548937.db2.gz KSRIBDMPLHQVRI-SUFIHLRJSA-N 1 2 370.497 2.555 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(OC)ns1 ZINC001110900449 1017690703 /nfs/dbraw/zinc/69/07/03/1017690703.db2.gz AGBUNWAOMZHQJH-OIISXLGYSA-N 1 2 361.511 2.957 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(OC)ns1 ZINC001110900449 1017690709 /nfs/dbraw/zinc/69/07/09/1017690709.db2.gz AGBUNWAOMZHQJH-OIISXLGYSA-N 1 2 361.511 2.957 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC(=O)Nc3ccccc31)C2 ZINC001097611242 1017698356 /nfs/dbraw/zinc/69/83/56/1017698356.db2.gz ZECMKVUTSRTLON-UOJCXKCYSA-N 1 2 359.857 2.586 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC(=O)Nc3ccccc31)C2 ZINC001097611242 1017698361 /nfs/dbraw/zinc/69/83/61/1017698361.db2.gz ZECMKVUTSRTLON-UOJCXKCYSA-N 1 2 359.857 2.586 20 30 FFEDLO Cc1cc(N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C(F)(F)F)nc(C2CC2)[nH+]1 ZINC001055606337 1017762657 /nfs/dbraw/zinc/76/26/57/1017762657.db2.gz GPDDPZWPDMQMLP-ZWKOPEQDSA-N 1 2 367.375 2.623 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(CNc2[nH+]cnc3c2cnn3C)C1 ZINC001055675039 1017871457 /nfs/dbraw/zinc/87/14/57/1017871457.db2.gz IGPLXYWCHIATNQ-XOBRGWDASA-N 1 2 368.485 2.616 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)c1 ZINC001097812980 1017977409 /nfs/dbraw/zinc/97/74/09/1017977409.db2.gz JNFQTFUSSQPSBD-NRSPTQNISA-N 1 2 374.419 2.609 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)c1 ZINC001097812980 1017977421 /nfs/dbraw/zinc/97/74/21/1017977421.db2.gz JNFQTFUSSQPSBD-NRSPTQNISA-N 1 2 374.419 2.609 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(Cl)c1 ZINC001097879456 1018147755 /nfs/dbraw/zinc/14/77/55/1018147755.db2.gz TUIJMXJMEUGGJI-MTSZKFMLSA-N 1 2 361.873 2.548 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(Cl)c1 ZINC001097879456 1018147765 /nfs/dbraw/zinc/14/77/65/1018147765.db2.gz TUIJMXJMEUGGJI-MTSZKFMLSA-N 1 2 361.873 2.548 20 30 FFEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)O2 ZINC001053700612 1018416311 /nfs/dbraw/zinc/41/63/11/1018416311.db2.gz YDSUFHWWESWNCP-CWRNSKLLSA-N 1 2 362.420 2.604 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C3)c(F)c1 ZINC001096138311 1018786618 /nfs/dbraw/zinc/78/66/18/1018786618.db2.gz OCOHZQRXYHKTFP-YSDSKTICSA-N 1 2 353.441 2.965 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C3)c(F)c1 ZINC001096138311 1018786632 /nfs/dbraw/zinc/78/66/32/1018786632.db2.gz OCOHZQRXYHKTFP-YSDSKTICSA-N 1 2 353.441 2.965 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccn3ccnc13)C2 ZINC001096161840 1018986245 /nfs/dbraw/zinc/98/62/45/1018986245.db2.gz XKMHKIGSTYMOJJ-HOJAQTOUSA-N 1 2 371.444 2.741 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccn3ccnc13)C2 ZINC001096161840 1018986251 /nfs/dbraw/zinc/98/62/51/1018986251.db2.gz XKMHKIGSTYMOJJ-HOJAQTOUSA-N 1 2 371.444 2.741 20 30 FFEDLO CCN(C(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)nc2)CC1)c1ccccc1 ZINC000801553273 1019105236 /nfs/dbraw/zinc/10/52/36/1019105236.db2.gz RJKJUPGTTOVITH-QGZVFWFLSA-N 1 2 363.465 2.517 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](Cc2ccc3ncccc3c2)C1 ZINC001042742058 1019130852 /nfs/dbraw/zinc/13/08/52/1019130852.db2.gz AVWGJKRELYMLKK-CTNGQTDRSA-N 1 2 365.477 2.859 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1 ZINC000796632354 1019220933 /nfs/dbraw/zinc/22/09/33/1019220933.db2.gz KIYDQHNRVHZOSL-CYBMUJFWSA-N 1 2 368.343 2.971 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1Cl ZINC000777737993 1019231493 /nfs/dbraw/zinc/23/14/93/1019231493.db2.gz QSZHZZSRRHYRRX-IBGZPJMESA-N 1 2 373.815 2.883 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1Cl ZINC000777737993 1019231508 /nfs/dbraw/zinc/23/15/08/1019231508.db2.gz QSZHZZSRRHYRRX-IBGZPJMESA-N 1 2 373.815 2.883 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001047675205 1019495051 /nfs/dbraw/zinc/49/50/51/1019495051.db2.gz MYHSHQDUYGFFMY-SQGPQFPESA-N 1 2 368.485 2.527 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncccc2F)C3)s1 ZINC001096238696 1019539980 /nfs/dbraw/zinc/53/99/80/1019539980.db2.gz GMHRMDYWQAIVIR-RLCCDNCMSA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncccc2F)C3)s1 ZINC001096238696 1019539993 /nfs/dbraw/zinc/53/99/93/1019539993.db2.gz GMHRMDYWQAIVIR-RLCCDNCMSA-N 1 2 356.426 2.689 20 30 FFEDLO C=CCCCC(=O)N1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001069759862 1019588689 /nfs/dbraw/zinc/58/86/89/1019588689.db2.gz JIXIYRZNAVVQQP-CBGDNZLLSA-N 1 2 370.497 2.711 20 30 FFEDLO C=CCCCC(=O)N1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001069759862 1019588699 /nfs/dbraw/zinc/58/86/99/1019588699.db2.gz JIXIYRZNAVVQQP-CBGDNZLLSA-N 1 2 370.497 2.711 20 30 FFEDLO C=C(C)CCC(=O)N1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001069756006 1019588739 /nfs/dbraw/zinc/58/87/39/1019588739.db2.gz KXWARALGSSUSGH-CBGDNZLLSA-N 1 2 370.497 2.711 20 30 FFEDLO C=C(C)CCC(=O)N1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001069756006 1019588751 /nfs/dbraw/zinc/58/87/51/1019588751.db2.gz KXWARALGSSUSGH-CBGDNZLLSA-N 1 2 370.497 2.711 20 30 FFEDLO CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001047857851 1019639785 /nfs/dbraw/zinc/63/97/85/1019639785.db2.gz LSHOBBRUAKXMFH-QZTJIDSGSA-N 1 2 370.497 2.597 20 30 FFEDLO C#CCCCC(=O)N1CCO[C@@H]2C[N@@H+]([C@H](C)c3ccc(F)c(F)c3)C[C@@H]21 ZINC001217725263 1032850593 /nfs/dbraw/zinc/85/05/93/1032850593.db2.gz LVUSUZZQTYFUIY-MDASCCDHSA-N 1 2 362.420 2.741 20 30 FFEDLO C#CCCCC(=O)N1CCO[C@@H]2C[N@H+]([C@H](C)c3ccc(F)c(F)c3)C[C@@H]21 ZINC001217725263 1032850600 /nfs/dbraw/zinc/85/06/00/1032850600.db2.gz LVUSUZZQTYFUIY-MDASCCDHSA-N 1 2 362.420 2.741 20 30 FFEDLO C=CC[C@]1(C(=O)O[C@H]2CC[N@H+](CCF)C2)CCCN1C(=O)OC(C)(C)C ZINC000802236722 1019919213 /nfs/dbraw/zinc/91/92/13/1019919213.db2.gz QLBVGOISCJIFFC-HNAYVOBHSA-N 1 2 370.465 2.919 20 30 FFEDLO C=CC[C@]1(C(=O)O[C@H]2CC[N@@H+](CCF)C2)CCCN1C(=O)OC(C)(C)C ZINC000802236722 1019919219 /nfs/dbraw/zinc/91/92/19/1019919219.db2.gz QLBVGOISCJIFFC-HNAYVOBHSA-N 1 2 370.465 2.919 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)c2ncc(C)o2)C1 ZINC001070521463 1019991709 /nfs/dbraw/zinc/99/17/09/1019991709.db2.gz JPVYJKKDGJHQAH-HLLBOEOZSA-N 1 2 371.485 2.574 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC001045560078 1020025157 /nfs/dbraw/zinc/02/51/57/1020025157.db2.gz OGBJINWZYCCWFB-CVEARBPZSA-N 1 2 359.470 2.614 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1C#N ZINC000930475229 1020048908 /nfs/dbraw/zinc/04/89/08/1020048908.db2.gz CGKNKLFZZSDPAR-HNNXBMFYSA-N 1 2 360.458 2.530 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)s2)C[C@H]1NCC#N ZINC001070720007 1020087335 /nfs/dbraw/zinc/08/73/35/1020087335.db2.gz HBQPWJSYXCGFDS-ZIAGYGMSSA-N 1 2 371.510 2.500 20 30 FFEDLO Cc1ccc(C#N)c(NC[C@@H]2C[C@H](C)CCN2C(=O)CCn2cc[nH+]c2)n1 ZINC001048291751 1020101494 /nfs/dbraw/zinc/10/14/94/1020101494.db2.gz AZCYNWBQFMZCMI-QAPCUYQASA-N 1 2 366.469 2.588 20 30 FFEDLO N#Cc1cccnc1N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001045745657 1020111416 /nfs/dbraw/zinc/11/14/16/1020111416.db2.gz KUIDJXXNNOYASF-ARFHVFGLSA-N 1 2 364.453 2.636 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC(C)C)CC1 ZINC000802663279 1020303954 /nfs/dbraw/zinc/30/39/54/1020303954.db2.gz HHQFIJHUQPMDAT-UHFFFAOYSA-N 1 2 374.492 2.905 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)cn1 ZINC001096383074 1020306600 /nfs/dbraw/zinc/30/66/00/1020306600.db2.gz UYRRQPCUYNXLKD-MNEFBYGVSA-N 1 2 362.458 2.531 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)cn1 ZINC001096383074 1020306614 /nfs/dbraw/zinc/30/66/14/1020306614.db2.gz UYRRQPCUYNXLKD-MNEFBYGVSA-N 1 2 362.458 2.531 20 30 FFEDLO N#Cc1ccc(C2CC[NH+](CN3C(=O)c4cccc(N)c4C3=O)CC2)cc1 ZINC000902590254 1020318006 /nfs/dbraw/zinc/31/80/06/1020318006.db2.gz UBZSKHHUBLMLBL-UHFFFAOYSA-N 1 2 360.417 2.574 20 30 FFEDLO C=CCCCC(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001073420572 1020576871 /nfs/dbraw/zinc/57/68/71/1020576871.db2.gz DOUSIODXEVUODU-BFYDXBDKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCCCC(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001073420572 1020576876 /nfs/dbraw/zinc/57/68/76/1020576876.db2.gz DOUSIODXEVUODU-BFYDXBDKSA-N 1 2 358.486 2.613 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCO[C@H](CNC(=O)[C@]34C[C@H]3CCC4)C2)c(F)c1 ZINC001073706049 1020607719 /nfs/dbraw/zinc/60/77/19/1020607719.db2.gz GQBMRHOZWNDJJA-DBXWQHBBSA-N 1 2 371.456 2.595 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCO[C@H](CNC(=O)[C@]34C[C@H]3CCC4)C2)c(F)c1 ZINC001073706049 1020607725 /nfs/dbraw/zinc/60/77/25/1020607725.db2.gz GQBMRHOZWNDJJA-DBXWQHBBSA-N 1 2 371.456 2.595 20 30 FFEDLO CCc1oncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096093002 1020612828 /nfs/dbraw/zinc/61/28/28/1020612828.db2.gz ZTLAPODBTDUAIZ-JLSDUUJJSA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1oncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096093002 1020612832 /nfs/dbraw/zinc/61/28/32/1020612832.db2.gz ZTLAPODBTDUAIZ-JLSDUUJJSA-N 1 2 368.412 2.783 20 30 FFEDLO Cc1nc([C@H]2CC[N@H+](CC(=O)N(CCC#N)c3cccc(C)c3C)C2)no1 ZINC000931948049 1020641255 /nfs/dbraw/zinc/64/12/55/1020641255.db2.gz YRONGWWIHGJDRY-KRWDZBQOSA-N 1 2 367.453 2.731 20 30 FFEDLO Cc1nc([C@H]2CC[N@@H+](CC(=O)N(CCC#N)c3cccc(C)c3C)C2)no1 ZINC000931948049 1020641257 /nfs/dbraw/zinc/64/12/57/1020641257.db2.gz YRONGWWIHGJDRY-KRWDZBQOSA-N 1 2 367.453 2.731 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(F)c2)cn1 ZINC001098244783 1020757748 /nfs/dbraw/zinc/75/77/48/1020757748.db2.gz SBAJYWHFUCFQHB-AHRSYUTCSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(F)c2)cn1 ZINC001098244783 1020757754 /nfs/dbraw/zinc/75/77/54/1020757754.db2.gz SBAJYWHFUCFQHB-AHRSYUTCSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccns1 ZINC001098286928 1020793678 /nfs/dbraw/zinc/79/36/78/1020793678.db2.gz SUNUBADNPXPSRR-QRQLOZEOSA-N 1 2 351.475 2.589 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccns1 ZINC001098286928 1020793685 /nfs/dbraw/zinc/79/36/85/1020793685.db2.gz SUNUBADNPXPSRR-QRQLOZEOSA-N 1 2 351.475 2.589 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(c3nc4c(s3)CCC4)CC2)cc1 ZINC000932619488 1020851529 /nfs/dbraw/zinc/85/15/29/1020851529.db2.gz NHWPZGXHORUCHD-GOSISDBHSA-N 1 2 366.490 2.909 20 30 FFEDLO C[C@@H](C(=O)N1CCSc2ccccc21)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933651225 1021059212 /nfs/dbraw/zinc/05/92/12/1021059212.db2.gz YQOHJNAEWPZVMZ-HNNXBMFYSA-N 1 2 372.490 2.852 20 30 FFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(C#N)cc1C1CC1 ZINC000933853192 1021102001 /nfs/dbraw/zinc/10/20/01/1021102001.db2.gz JSVBYSMGSASNBP-RHSMWYFYSA-N 1 2 354.454 2.763 20 30 FFEDLO N#Cc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c(C2CC2)c1 ZINC000933845334 1021102104 /nfs/dbraw/zinc/10/21/04/1021102104.db2.gz QGVUIGGWMVNYGN-QGZVFWFLSA-N 1 2 354.454 2.764 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccsn2)C1 ZINC001098894211 1021345471 /nfs/dbraw/zinc/34/54/71/1021345471.db2.gz MDXWMUKALRYAGV-FZMZJTMJSA-N 1 2 356.289 2.636 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccsn2)C1 ZINC001098894211 1021345488 /nfs/dbraw/zinc/34/54/88/1021345488.db2.gz MDXWMUKALRYAGV-FZMZJTMJSA-N 1 2 356.289 2.636 20 30 FFEDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)cc1 ZINC000039561467 1021652989 /nfs/dbraw/zinc/65/29/89/1021652989.db2.gz PIMKPBSIUPEAMG-KRWDZBQOSA-N 1 2 370.497 2.548 20 30 FFEDLO N#Cc1cccc(NC(=O)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c1 ZINC001202783791 1021726684 /nfs/dbraw/zinc/72/66/84/1021726684.db2.gz PXLJQZOJGZIFDG-QGZVFWFLSA-N 1 2 365.437 2.845 20 30 FFEDLO Cc1conc1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001099108373 1021822880 /nfs/dbraw/zinc/82/28/80/1021822880.db2.gz AOABNZUZSLDKSH-JXFKEZNVSA-N 1 2 368.412 2.778 20 30 FFEDLO Cc1conc1C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001099108373 1021822896 /nfs/dbraw/zinc/82/28/96/1021822896.db2.gz AOABNZUZSLDKSH-JXFKEZNVSA-N 1 2 368.412 2.778 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)c(F)c1 ZINC001015737047 1021955473 /nfs/dbraw/zinc/95/54/73/1021955473.db2.gz UKAIPIMBBIYXDC-CEXWTWQISA-N 1 2 364.424 2.587 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)c(F)c1 ZINC001015737047 1021955479 /nfs/dbraw/zinc/95/54/79/1021955479.db2.gz UKAIPIMBBIYXDC-CEXWTWQISA-N 1 2 364.424 2.587 20 30 FFEDLO CCC(CC)c1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#CCOC)on1 ZINC001111117249 1021998962 /nfs/dbraw/zinc/99/89/62/1021998962.db2.gz QINQEMVKNOZOOY-NXHRZFHOSA-N 1 2 359.470 2.563 20 30 FFEDLO CCC(CC)c1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#CCOC)on1 ZINC001111117249 1021998975 /nfs/dbraw/zinc/99/89/75/1021998975.db2.gz QINQEMVKNOZOOY-NXHRZFHOSA-N 1 2 359.470 2.563 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CC2)CCCCC1 ZINC001111136848 1022060667 /nfs/dbraw/zinc/06/06/67/1022060667.db2.gz DJWPMKSFIGMYQG-QRVBRYPASA-N 1 2 373.541 2.761 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CC2)CCCCC1 ZINC001111136848 1022060684 /nfs/dbraw/zinc/06/06/84/1022060684.db2.gz DJWPMKSFIGMYQG-QRVBRYPASA-N 1 2 373.541 2.761 20 30 FFEDLO C=CC(C)(C)C(=O)N1CCC(C2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC001017172415 1022181090 /nfs/dbraw/zinc/18/10/90/1022181090.db2.gz LHEOYVAIXQXBTJ-HZPDHXFCSA-N 1 2 370.497 2.613 20 30 FFEDLO C=CC(C)(C)C(=O)N1CCC(C2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC001017172415 1022181100 /nfs/dbraw/zinc/18/11/00/1022181100.db2.gz LHEOYVAIXQXBTJ-HZPDHXFCSA-N 1 2 370.497 2.613 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nc(C)oc2C)C1 ZINC001099290099 1022233362 /nfs/dbraw/zinc/23/33/62/1022233362.db2.gz MJGZXDMQGWEERJ-TZMCWYRMSA-N 1 2 359.392 2.983 20 30 FFEDLO Cc1nc(O[C@H]2C[NH2+]CC2(F)F)c(C#N)cc1-c1ccc2nccn2c1 ZINC001218237621 1033063245 /nfs/dbraw/zinc/06/32/45/1033063245.db2.gz WHRJWRXAYCXELY-HNNXBMFYSA-N 1 2 355.348 2.562 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001039921333 1022787133 /nfs/dbraw/zinc/78/71/33/1022787133.db2.gz OKZNVEHKARJITI-XCLNPWKQSA-N 1 2 353.466 2.549 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC001039921333 1022787134 /nfs/dbraw/zinc/78/71/34/1022787134.db2.gz OKZNVEHKARJITI-XCLNPWKQSA-N 1 2 353.466 2.549 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ocnc1C ZINC001039945181 1022795512 /nfs/dbraw/zinc/79/55/12/1022795512.db2.gz SCIUCZWDTUWARJ-ZMMAXQRCSA-N 1 2 359.470 2.530 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ocnc1C ZINC001039945181 1022795524 /nfs/dbraw/zinc/79/55/24/1022795524.db2.gz SCIUCZWDTUWARJ-ZMMAXQRCSA-N 1 2 359.470 2.530 20 30 FFEDLO CC(C)CN(CCC#N)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000751374011 1022813552 /nfs/dbraw/zinc/81/35/52/1022813552.db2.gz KBPPZHILWYOZBW-UHFFFAOYSA-N 1 2 367.453 2.924 20 30 FFEDLO C=C[C@H](COC)[NH2+]Cc1nc(Br)c(Br)n1CC ZINC001119614369 1022896245 /nfs/dbraw/zinc/89/62/45/1022896245.db2.gz XPIHWWHEHYRRJK-MRVPVSSYSA-N 1 2 367.085 2.719 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C(C)C)s1)C2 ZINC001111477169 1023178195 /nfs/dbraw/zinc/17/81/95/1023178195.db2.gz WPSPJKXSKAFHFA-KFWWJZLASA-N 1 2 361.511 2.509 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C(C)C)s1)C2 ZINC001111477169 1023178197 /nfs/dbraw/zinc/17/81/97/1023178197.db2.gz WPSPJKXSKAFHFA-KFWWJZLASA-N 1 2 361.511 2.509 20 30 FFEDLO CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc3c[nH+]cn3c2C)n1 ZINC001122414449 1023253632 /nfs/dbraw/zinc/25/36/32/1023253632.db2.gz DYLPWDFAVWWZJJ-ZDUSSCGKSA-N 1 2 354.391 2.766 20 30 FFEDLO COC(=O)[C@H]1[NH2+]CC[C@H]1Oc1ccccc1C(=O)/C=C/c1ccccc1 ZINC001218348558 1033118736 /nfs/dbraw/zinc/11/87/36/1033118736.db2.gz SVHMJWFTLYTBEZ-UBGMWTFPSA-N 1 2 351.402 2.865 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@@H]1CCC ZINC001122479169 1023295215 /nfs/dbraw/zinc/29/52/15/1023295215.db2.gz QCFSWGOSLLEZFX-SFHVURJKSA-N 1 2 361.534 2.827 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001122479469 1023295778 /nfs/dbraw/zinc/29/57/78/1023295778.db2.gz UELKAXUBAZQXES-IRXDYDNUSA-N 1 2 361.534 2.541 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](C(C)(C)O)C1 ZINC001122622423 1023374523 /nfs/dbraw/zinc/37/45/23/1023374523.db2.gz BXXHOXIHZDDLGY-DLBZAZTESA-N 1 2 361.534 2.998 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](C(C)(C)O)C1 ZINC001122622423 1023374531 /nfs/dbraw/zinc/37/45/31/1023374531.db2.gz BXXHOXIHZDDLGY-DLBZAZTESA-N 1 2 361.534 2.998 20 30 FFEDLO C(=NNC1=[NH+][C@H]2CCCC[C@H]2N1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000753932765 1023401503 /nfs/dbraw/zinc/40/15/03/1023401503.db2.gz AJSPEXDBKCOADO-OKILXGFUSA-N 1 2 369.450 2.733 20 30 FFEDLO CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1cnn(-c2ccc(C#N)cc2)c1C ZINC000753936121 1023402222 /nfs/dbraw/zinc/40/22/22/1023402222.db2.gz QUGQOPHCDOYABQ-OALUTQOASA-N 1 2 361.453 2.636 20 30 FFEDLO NC(=[NH+]OCC(=O)Nc1ccnn1CC1CCCCC1)c1ccc(F)cc1 ZINC000754275972 1023449076 /nfs/dbraw/zinc/44/90/76/1023449076.db2.gz ITIFEFOAHNHBEP-UHFFFAOYSA-N 1 2 373.432 2.878 20 30 FFEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000190420800 1023634158 /nfs/dbraw/zinc/63/41/58/1023634158.db2.gz RBWSVAZXTXPVBI-UHFFFAOYSA-N 1 2 359.351 2.801 20 30 FFEDLO N#CCC[NH+]1CCC(c2nnc(N3CCCC3)n2C[C@H]2CCCCO2)CC1 ZINC001123266770 1023715238 /nfs/dbraw/zinc/71/52/38/1023715238.db2.gz IYABVBFDYFEAFD-GOSISDBHSA-N 1 2 372.517 2.540 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C4CC4)nn3C)[C@H]2C1 ZINC001222776157 1033156203 /nfs/dbraw/zinc/15/62/03/1033156203.db2.gz NWDJZRPMNAYWIB-WBVHZDCISA-N 1 2 371.529 2.718 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C4CC4)nn3C)[C@H]2C1 ZINC001222776157 1033156212 /nfs/dbraw/zinc/15/62/12/1033156212.db2.gz NWDJZRPMNAYWIB-WBVHZDCISA-N 1 2 371.529 2.718 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001123462197 1023814189 /nfs/dbraw/zinc/81/41/89/1023814189.db2.gz IMKCAUKXFUMRDH-UHFFFAOYSA-N 1 2 363.421 2.807 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1C ZINC001121525427 1023827492 /nfs/dbraw/zinc/82/74/92/1023827492.db2.gz LRLUMIFWWBUNFV-MRXNPFEDSA-N 1 2 361.515 2.851 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1C ZINC001121525427 1023827502 /nfs/dbraw/zinc/82/75/02/1023827502.db2.gz LRLUMIFWWBUNFV-MRXNPFEDSA-N 1 2 361.515 2.851 20 30 FFEDLO C=CCn1c(C[C@H](C)SCC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001121655779 1023907408 /nfs/dbraw/zinc/90/74/08/1023907408.db2.gz JYKRSKAICMJPKX-INIZCTEOSA-N 1 2 372.542 2.870 20 30 FFEDLO N#CCC[NH+]1CCC(c2nnc(N3CC[C@H]4C[C@H]4C3)n2CC2CC2)CC1 ZINC001123633666 1023913744 /nfs/dbraw/zinc/91/37/44/1023913744.db2.gz XAUWBELTAJJOHZ-ROUUACIJSA-N 1 2 354.502 2.627 20 30 FFEDLO C=CCn1c(N2CC[C@H](CC(C)(C)C)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001121708618 1023938701 /nfs/dbraw/zinc/93/87/01/1023938701.db2.gz NDKQSDSXKFKPDW-GUXCAODWSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CC[C@H](CC(C)(C)C)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121708618 1023938704 /nfs/dbraw/zinc/93/87/04/1023938704.db2.gz NDKQSDSXKFKPDW-GUXCAODWSA-N 1 2 361.534 2.638 20 30 FFEDLO Cc1ccn(C[N@H+]2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(=O)c1C#N ZINC000758239329 1023989439 /nfs/dbraw/zinc/98/94/39/1023989439.db2.gz YBTRDSBJGJQALW-HZPDHXFCSA-N 1 2 374.485 2.611 20 30 FFEDLO Cc1ccn(C[N@@H+]2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(=O)c1C#N ZINC000758239329 1023989449 /nfs/dbraw/zinc/98/94/49/1023989449.db2.gz YBTRDSBJGJQALW-HZPDHXFCSA-N 1 2 374.485 2.611 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)C)n3C)C[C@@]2(C)C1 ZINC001101253352 1024204727 /nfs/dbraw/zinc/20/47/27/1024204727.db2.gz LLDUIWSRPKPJTB-UZLBHIALSA-N 1 2 359.518 2.575 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)C)n3C)C[C@@]2(C)C1 ZINC001101253352 1024204741 /nfs/dbraw/zinc/20/47/41/1024204741.db2.gz LLDUIWSRPKPJTB-UZLBHIALSA-N 1 2 359.518 2.575 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218523229 1033198513 /nfs/dbraw/zinc/19/85/13/1033198513.db2.gz IGZQLTDZBJKNHH-HLAWJBBLSA-N 1 2 352.478 2.552 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218523229 1033198520 /nfs/dbraw/zinc/19/85/20/1033198520.db2.gz IGZQLTDZBJKNHH-HLAWJBBLSA-N 1 2 352.478 2.552 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3c(C)onc3CC)C[C@@H]21 ZINC001218522617 1033199725 /nfs/dbraw/zinc/19/97/25/1033199725.db2.gz CORQJWHEVCSNEB-AYOQOUSVSA-N 1 2 361.486 2.559 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3c(C)onc3CC)C[C@@H]21 ZINC001218522617 1033199730 /nfs/dbraw/zinc/19/97/30/1033199730.db2.gz CORQJWHEVCSNEB-AYOQOUSVSA-N 1 2 361.486 2.559 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101325014 1024455110 /nfs/dbraw/zinc/45/51/10/1024455110.db2.gz BVNCEILBEOPIIV-UTKZUKDTSA-N 1 2 371.529 2.792 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101325014 1024455119 /nfs/dbraw/zinc/45/51/19/1024455119.db2.gz BVNCEILBEOPIIV-UTKZUKDTSA-N 1 2 371.529 2.792 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)n3C)C[C@@]2(C)C1 ZINC001101378157 1024586521 /nfs/dbraw/zinc/58/65/21/1024586521.db2.gz PUKWIKJAKMJLEM-IERDGZPVSA-N 1 2 371.529 2.575 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)n3C)C[C@@]2(C)C1 ZINC001101378157 1024586533 /nfs/dbraw/zinc/58/65/33/1024586533.db2.gz PUKWIKJAKMJLEM-IERDGZPVSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000951699269 1024661312 /nfs/dbraw/zinc/66/13/12/1024661312.db2.gz AAWPOLGMBMXQBM-ICSRJNTNSA-N 1 2 358.482 2.629 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001101987201 1025249519 /nfs/dbraw/zinc/24/95/19/1025249519.db2.gz CWBBMFRTFNMULW-WMZOPIPTSA-N 1 2 358.486 2.904 20 30 FFEDLO N#Cc1c(N)sc(C[N@@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)c1Cl ZINC001141114028 1025476113 /nfs/dbraw/zinc/47/61/13/1025476113.db2.gz ZHNHXEXIYRXUTN-LLVKDONJSA-N 1 2 367.906 2.625 20 30 FFEDLO N#Cc1c(N)sc(C[N@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)c1Cl ZINC001141114028 1025476125 /nfs/dbraw/zinc/47/61/25/1025476125.db2.gz ZHNHXEXIYRXUTN-LLVKDONJSA-N 1 2 367.906 2.625 20 30 FFEDLO N#Cc1cc(F)ccc1C[NH+]1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1 ZINC001141165132 1025550051 /nfs/dbraw/zinc/55/00/51/1025550051.db2.gz VBICVRLPCQCDDV-IBGZPJMESA-N 1 2 364.424 2.731 20 30 FFEDLO CC(C)C#CC(=O)NCC[C@@H]1C[N@H+](Cc2noc(C(C)(C)C)n2)C[C@H]1C ZINC001102955809 1026829517 /nfs/dbraw/zinc/82/95/17/1026829517.db2.gz IHPWLSDYFXGPKW-HZPDHXFCSA-N 1 2 360.502 2.601 20 30 FFEDLO CC(C)C#CC(=O)NCC[C@@H]1C[N@@H+](Cc2noc(C(C)(C)C)n2)C[C@H]1C ZINC001102955809 1026829524 /nfs/dbraw/zinc/82/95/24/1026829524.db2.gz IHPWLSDYFXGPKW-HZPDHXFCSA-N 1 2 360.502 2.601 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nn1 ZINC000640917721 1027029712 /nfs/dbraw/zinc/02/97/12/1027029712.db2.gz XSNCXDOWSUROEN-GJZGRUSLSA-N 1 2 365.437 2.576 20 30 FFEDLO CSc1nc(C[N@@H+]2CCC[C@@H](Oc3ncncc3C)C2)ccc1C#N ZINC001141945509 1027197755 /nfs/dbraw/zinc/19/77/55/1027197755.db2.gz BJRSHWVEEIDPMC-MRXNPFEDSA-N 1 2 355.467 2.817 20 30 FFEDLO CSc1nc(C[N@H+]2CCC[C@@H](Oc3ncncc3C)C2)ccc1C#N ZINC001141945509 1027197765 /nfs/dbraw/zinc/19/77/65/1027197765.db2.gz BJRSHWVEEIDPMC-MRXNPFEDSA-N 1 2 355.467 2.817 20 30 FFEDLO CSc1nc(C[NH+]2CCC(Oc3ncncc3C)CC2)ccc1C#N ZINC001141945558 1027200377 /nfs/dbraw/zinc/20/03/77/1027200377.db2.gz DGFFEPLYXOYPEZ-UHFFFAOYSA-N 1 2 355.467 2.817 20 30 FFEDLO CCC(C)(C)OCCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000840705852 1027222799 /nfs/dbraw/zinc/22/27/99/1027222799.db2.gz ZVDIUMUNUBRWPR-UHFFFAOYSA-N 1 2 356.470 2.851 20 30 FFEDLO C=CCCCC(=O)NCC[C@@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001103382907 1027364475 /nfs/dbraw/zinc/36/44/75/1027364475.db2.gz XIMIQWJSURDPFZ-CHWSQXEVSA-N 1 2 356.417 2.938 20 30 FFEDLO C=CCCCC(=O)NCC[C@@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001103382907 1027364494 /nfs/dbraw/zinc/36/44/94/1027364494.db2.gz XIMIQWJSURDPFZ-CHWSQXEVSA-N 1 2 356.417 2.938 20 30 FFEDLO C#CCCN1CCC[C@@H](Nc2ccc3cc(OC)c(OC)cc3[nH+]2)C1=O ZINC001160899885 1027916157 /nfs/dbraw/zinc/91/61/57/1027916157.db2.gz PKZDUWFAMMZIGX-OAHLLOKOSA-N 1 2 353.422 2.678 20 30 FFEDLO COc1ccc(Cn2c[nH+]cc2CNc2ncc(Cl)nc2C#N)cc1 ZINC001161507386 1028207208 /nfs/dbraw/zinc/20/72/08/1028207208.db2.gz NUGBVVWLGZARAH-UHFFFAOYSA-N 1 2 354.801 2.867 20 30 FFEDLO C#CC[NH+]1CCN(c2cc(C)nc(-c3ccc(Br)cc3)n2)CC1 ZINC001162068661 1028421018 /nfs/dbraw/zinc/42/10/18/1028421018.db2.gz ZRAMYPXXYWWHBK-UHFFFAOYSA-N 1 2 371.282 2.970 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1csc(CC)n1 ZINC001155343482 1028684941 /nfs/dbraw/zinc/68/49/41/1028684941.db2.gz MNNXZWDNGCLGQM-BMFZPTHFSA-N 1 2 351.516 2.623 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1csc(CC)n1 ZINC001155343482 1028684947 /nfs/dbraw/zinc/68/49/47/1028684947.db2.gz MNNXZWDNGCLGQM-BMFZPTHFSA-N 1 2 351.516 2.623 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccc(C#N)cn3)n2)C1 ZINC000780660077 1028760963 /nfs/dbraw/zinc/76/09/63/1028760963.db2.gz PVAHCBJKCVFERV-CYBMUJFWSA-N 1 2 370.482 2.963 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccc(C#N)cn3)n2)C1 ZINC000780660077 1028760978 /nfs/dbraw/zinc/76/09/78/1028760978.db2.gz PVAHCBJKCVFERV-CYBMUJFWSA-N 1 2 370.482 2.963 20 30 FFEDLO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1NCc1ccc2[nH+]ccn2c1 ZINC001163141262 1028822725 /nfs/dbraw/zinc/82/27/25/1028822725.db2.gz VMVSBYKQDZOWOI-CQSZACIVSA-N 1 2 364.409 2.685 20 30 FFEDLO N#CCSCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnc(Cl)s1)C2 ZINC001111600307 1028876595 /nfs/dbraw/zinc/87/65/95/1028876595.db2.gz RLUWMZFPNGFPHY-NHYWBVRUSA-N 1 2 370.931 2.524 20 30 FFEDLO N#CCSCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnc(Cl)s1)C2 ZINC001111600307 1028876609 /nfs/dbraw/zinc/87/66/09/1028876609.db2.gz RLUWMZFPNGFPHY-NHYWBVRUSA-N 1 2 370.931 2.524 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2Br)C[C@H]1C ZINC001206660204 1029070504 /nfs/dbraw/zinc/07/05/04/1029070504.db2.gz ZZGYJWLCVCAKGP-FIXISWKDSA-N 1 2 368.250 2.684 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2Br)C[C@H]1C ZINC001206660204 1029070517 /nfs/dbraw/zinc/07/05/17/1029070517.db2.gz ZZGYJWLCVCAKGP-FIXISWKDSA-N 1 2 368.250 2.684 20 30 FFEDLO C=CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(C(C)(C)C)on1)C2 ZINC001111658867 1029074085 /nfs/dbraw/zinc/07/40/85/1029074085.db2.gz SOEPCZYHNVVOFM-YWZLYKJASA-N 1 2 361.486 2.645 20 30 FFEDLO C=CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(C(C)(C)C)on1)C2 ZINC001111658867 1029074101 /nfs/dbraw/zinc/07/41/01/1029074101.db2.gz SOEPCZYHNVVOFM-YWZLYKJASA-N 1 2 361.486 2.645 20 30 FFEDLO N#Cc1ccc2[nH]c(C(=O)N3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)cc2c1 ZINC001156456822 1029199126 /nfs/dbraw/zinc/19/91/26/1029199126.db2.gz ISVYFUCEHXKMOY-QGZVFWFLSA-N 1 2 358.392 2.985 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(C(C)C)nn1)C2 ZINC001111711402 1029210272 /nfs/dbraw/zinc/21/02/72/1029210272.db2.gz RKOTZSQPQLLTEH-PXNSSMCTSA-N 1 2 357.502 2.523 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(C(C)C)nn1)C2 ZINC001111711402 1029210287 /nfs/dbraw/zinc/21/02/87/1029210287.db2.gz RKOTZSQPQLLTEH-PXNSSMCTSA-N 1 2 357.502 2.523 20 30 FFEDLO CC(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1nc(C(C)C)no1)C2 ZINC001111738752 1029296999 /nfs/dbraw/zinc/29/69/99/1029296999.db2.gz ITXRUFUMYMELIA-GUXCAODWSA-N 1 2 358.486 2.884 20 30 FFEDLO CC(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1nc(C(C)C)no1)C2 ZINC001111738752 1029297015 /nfs/dbraw/zinc/29/70/15/1029297015.db2.gz ITXRUFUMYMELIA-GUXCAODWSA-N 1 2 358.486 2.884 20 30 FFEDLO CC(C)n1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)n1 ZINC001111743036 1029309783 /nfs/dbraw/zinc/30/97/83/1029309783.db2.gz WKEIMUMQSIJESZ-UWJYYQICSA-N 1 2 356.514 2.984 20 30 FFEDLO CC(C)n1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)n1 ZINC001111743036 1029309794 /nfs/dbraw/zinc/30/97/94/1029309794.db2.gz WKEIMUMQSIJESZ-UWJYYQICSA-N 1 2 356.514 2.984 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001164662014 1029350685 /nfs/dbraw/zinc/35/06/85/1029350685.db2.gz RXYBGDGHKYWAAR-SECBINFHSA-N 1 2 355.801 2.705 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1nnc(C)[nH]1)C2 ZINC001111760086 1029366303 /nfs/dbraw/zinc/36/63/03/1029366303.db2.gz YOKUTWCLERFZKR-LIVBEALHSA-N 1 2 357.502 2.913 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1nnc(C)[nH]1)C2 ZINC001111760086 1029366314 /nfs/dbraw/zinc/36/63/14/1029366314.db2.gz YOKUTWCLERFZKR-LIVBEALHSA-N 1 2 357.502 2.913 20 30 FFEDLO Cc1cc(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)nn1-c1cccc(C#N)c1 ZINC001156891702 1029393989 /nfs/dbraw/zinc/39/39/89/1029393989.db2.gz PDMJJZLMVUYJHY-UHFFFAOYSA-N 1 2 360.421 2.584 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(CC)o1)C2 ZINC001111834042 1029584673 /nfs/dbraw/zinc/58/46/73/1029584673.db2.gz LBSLSPMTWIZXLM-JXFKEZNVSA-N 1 2 358.486 2.686 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(CC)o1)C2 ZINC001111834042 1029584679 /nfs/dbraw/zinc/58/46/79/1029584679.db2.gz LBSLSPMTWIZXLM-JXFKEZNVSA-N 1 2 358.486 2.686 20 30 FFEDLO C=CC1(CC(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cn(C)nn2)C3)CCCCC1 ZINC001111901549 1029699954 /nfs/dbraw/zinc/69/99/54/1029699954.db2.gz OBGZPVRZLKGMGC-UWJYYQICSA-N 1 2 371.529 2.812 20 30 FFEDLO C=CC1(CC(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cn(C)nn2)C3)CCCCC1 ZINC001111901549 1029699957 /nfs/dbraw/zinc/69/99/57/1029699957.db2.gz OBGZPVRZLKGMGC-UWJYYQICSA-N 1 2 371.529 2.812 20 30 FFEDLO C=CCCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001112014852 1029863043 /nfs/dbraw/zinc/86/30/43/1029863043.db2.gz ALWQEFKWOVHLFC-RXVVDRJESA-N 1 2 371.456 2.761 20 30 FFEDLO C=CCCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001112014852 1029863052 /nfs/dbraw/zinc/86/30/52/1029863052.db2.gz ALWQEFKWOVHLFC-RXVVDRJESA-N 1 2 371.456 2.761 20 30 FFEDLO O=C(C(F)C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C/C=C\Cl)C1 ZINC001112104406 1030014653 /nfs/dbraw/zinc/01/46/53/1030014653.db2.gz HPXFWIDFFFMLME-RDMYBSEYSA-N 1 2 356.669 2.618 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nccn2CC)C1 ZINC001112109310 1030028150 /nfs/dbraw/zinc/02/81/50/1030028150.db2.gz GWORHRJQSRWACZ-ZIAGYGMSSA-N 1 2 358.408 2.738 20 30 FFEDLO N#Cc1ccc2cc[nH+]c(N3CC[C@H]4[C@H]3CC(=O)N4Cc3cccnc3)c2c1 ZINC001165571778 1030029274 /nfs/dbraw/zinc/02/92/74/1030029274.db2.gz CPDLTZCVZRRTJU-VQTJNVASSA-N 1 2 369.428 2.881 20 30 FFEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796947288 1030959945 /nfs/dbraw/zinc/95/99/45/1030959945.db2.gz JYNCMPOWRQIUKK-ZDUSSCGKSA-N 1 2 353.426 2.968 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2c[nH]c3cc(C#N)ccc23)CCO1 ZINC001142915923 1031046646 /nfs/dbraw/zinc/04/66/46/1031046646.db2.gz JFGMJFWFFGSIFC-INIZCTEOSA-N 1 2 370.453 2.765 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)CCO1 ZINC001142915923 1031046667 /nfs/dbraw/zinc/04/66/67/1031046667.db2.gz JFGMJFWFFGSIFC-INIZCTEOSA-N 1 2 370.453 2.765 20 30 FFEDLO N#Cc1cc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)ccc1F ZINC001205455865 1031759636 /nfs/dbraw/zinc/75/96/36/1031759636.db2.gz WZNKNCNCHPTBKE-UHFFFAOYSA-N 1 2 353.397 2.744 20 30 FFEDLO C[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(N2CCNC2=O)cc1 ZINC000829757793 1033324243 /nfs/dbraw/zinc/32/42/43/1033324243.db2.gz IIKIVXXHCYLNSR-ZDUSSCGKSA-N 1 2 365.393 2.847 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001223338388 1033401318 /nfs/dbraw/zinc/40/13/18/1033401318.db2.gz OFVIROKBXCQERZ-KURKYZTESA-N 1 2 359.518 2.884 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001223338388 1033401322 /nfs/dbraw/zinc/40/13/22/1033401322.db2.gz OFVIROKBXCQERZ-KURKYZTESA-N 1 2 359.518 2.884 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C4CC4)nn3C)[C@H]2C1 ZINC001223344195 1033403355 /nfs/dbraw/zinc/40/33/55/1033403355.db2.gz GSQKKQWIKCSGQQ-NUJGCVRESA-N 1 2 371.529 2.718 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C4CC4)nn3C)[C@H]2C1 ZINC001223344195 1033403367 /nfs/dbraw/zinc/40/33/67/1033403367.db2.gz GSQKKQWIKCSGQQ-NUJGCVRESA-N 1 2 371.529 2.718 20 30 FFEDLO C#CCN1C[C@]2(CC[N@@H+](Cc3c(Cl)cc(C)cc3Cl)C2)OCC1=O ZINC001276894704 1033471515 /nfs/dbraw/zinc/47/15/15/1033471515.db2.gz HYNXDRHVHTUHTD-GOSISDBHSA-N 1 2 367.276 2.738 20 30 FFEDLO C#CCN1C[C@]2(CC[N@H+](Cc3c(Cl)cc(C)cc3Cl)C2)OCC1=O ZINC001276894704 1033471520 /nfs/dbraw/zinc/47/15/20/1033471520.db2.gz HYNXDRHVHTUHTD-GOSISDBHSA-N 1 2 367.276 2.738 20 30 FFEDLO C=C1CC(C)(C(=O)NC23CC(C(=O)Nc4cccc5[nH+]ccn54)(C2)C3)C1 ZINC001276802314 1033527175 /nfs/dbraw/zinc/52/71/75/1033527175.db2.gz AUOAVYJMPWNHIJ-UHFFFAOYSA-N 1 2 350.422 2.668 20 30 FFEDLO N#CCC[NH+]1CCC2(CCC(=O)N(CC(=O)c3ccc(F)cc3)C2)CC1 ZINC001276949546 1033733244 /nfs/dbraw/zinc/73/32/44/1033733244.db2.gz SZXZRUSNFBWFBQ-UHFFFAOYSA-N 1 2 357.429 2.627 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(C(C)C)o3)[C@H]2C1 ZINC001224289633 1033829739 /nfs/dbraw/zinc/82/97/39/1033829739.db2.gz SJLPDKHHUBDBAF-BBWFWOEESA-N 1 2 361.486 2.812 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(C(C)C)o3)[C@H]2C1 ZINC001224289633 1033829743 /nfs/dbraw/zinc/82/97/43/1033829743.db2.gz SJLPDKHHUBDBAF-BBWFWOEESA-N 1 2 361.486 2.812 20 30 FFEDLO C[Si](C)(C)C#Cc1ccc(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001220188418 1034031264 /nfs/dbraw/zinc/03/12/64/1034031264.db2.gz CBYJQUHKLSIWFT-MRXNPFEDSA-N 1 2 350.485 2.890 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc3ccccc3o2)C[C@@H]1O ZINC001220434590 1034175020 /nfs/dbraw/zinc/17/50/20/1034175020.db2.gz RRIWXJCPMANDFQ-BMFZPTHFSA-N 1 2 357.454 2.652 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc3ccccc3o2)C[C@@H]1O ZINC001220434590 1034175027 /nfs/dbraw/zinc/17/50/27/1034175027.db2.gz RRIWXJCPMANDFQ-BMFZPTHFSA-N 1 2 357.454 2.652 20 30 FFEDLO Cc1cc(=O)c(C#N)c(O[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[nH]1 ZINC001225470650 1034267363 /nfs/dbraw/zinc/26/73/63/1034267363.db2.gz XWIVSLVGUMUDRB-KXBFYZLASA-N 1 2 353.422 2.636 20 30 FFEDLO Cc1cc(=O)c(C#N)c(O[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[nH]1 ZINC001225470650 1034267374 /nfs/dbraw/zinc/26/73/74/1034267374.db2.gz XWIVSLVGUMUDRB-KXBFYZLASA-N 1 2 353.422 2.636 20 30 FFEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3cccc(C#N)n3)CC2)cc1 ZINC000831890526 1034384772 /nfs/dbraw/zinc/38/47/72/1034384772.db2.gz KSBCHXJTXYHNIH-UHFFFAOYSA-N 1 2 364.453 2.810 20 30 FFEDLO CCCCCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001221030465 1034507641 /nfs/dbraw/zinc/50/76/41/1034507641.db2.gz GNCXNTBYRWSNKN-UXHICEINSA-N 1 2 356.510 2.806 20 30 FFEDLO CCCCCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001221030465 1034507656 /nfs/dbraw/zinc/50/76/56/1034507656.db2.gz GNCXNTBYRWSNKN-UXHICEINSA-N 1 2 356.510 2.806 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(-c2ccoc2)n1 ZINC001226143437 1034544143 /nfs/dbraw/zinc/54/41/43/1034544143.db2.gz KHFCKTNETJOMRK-HZPDHXFCSA-N 1 2 370.453 2.896 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ccc3F)C[C@@H]2O)CCCC1 ZINC001221198358 1034598489 /nfs/dbraw/zinc/59/84/89/1034598489.db2.gz DCGFJSGHSAAEJW-MOPGFXCFSA-N 1 2 360.473 2.932 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ccc3F)C[C@@H]2O)CCCC1 ZINC001221198358 1034598498 /nfs/dbraw/zinc/59/84/98/1034598498.db2.gz DCGFJSGHSAAEJW-MOPGFXCFSA-N 1 2 360.473 2.932 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(CC)n1)OCC ZINC001226542035 1034726263 /nfs/dbraw/zinc/72/62/63/1034726263.db2.gz LMMKXQIYWWJPAK-OAGGEKHMSA-N 1 2 364.490 2.520 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221417865 1034728212 /nfs/dbraw/zinc/72/82/12/1034728212.db2.gz ZGZVXPKQUKVELR-LXGCGDOSSA-N 1 2 371.456 2.545 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221417865 1034728222 /nfs/dbraw/zinc/72/82/22/1034728222.db2.gz ZGZVXPKQUKVELR-LXGCGDOSSA-N 1 2 371.456 2.545 20 30 FFEDLO COc1cc(Br)cc(C)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001226593641 1034750331 /nfs/dbraw/zinc/75/03/31/1034750331.db2.gz DDGRPAJYPPVVOV-FDAWXEHDSA-N 1 2 354.244 2.757 20 30 FFEDLO COc1cc(Br)cc(C)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001226593641 1034750337 /nfs/dbraw/zinc/75/03/37/1034750337.db2.gz DDGRPAJYPPVVOV-FDAWXEHDSA-N 1 2 354.244 2.757 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)c3cc(F)ccc3F)C[C@H]21 ZINC001221435870 1034758113 /nfs/dbraw/zinc/75/81/13/1034758113.db2.gz AWIQUNMDVDWZGL-PMUMKWKESA-N 1 2 350.409 2.761 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)c3cc(F)ccc3F)C[C@H]21 ZINC001221435870 1034758125 /nfs/dbraw/zinc/75/81/25/1034758125.db2.gz AWIQUNMDVDWZGL-PMUMKWKESA-N 1 2 350.409 2.761 20 30 FFEDLO CCCCOc1cccc(C[NH+]2CCN(c3nccnc3C#N)CC2)c1 ZINC001138955238 1034841452 /nfs/dbraw/zinc/84/14/52/1034841452.db2.gz HSVPFPGVAGJHAF-UHFFFAOYSA-N 1 2 351.454 2.849 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(C(F)(F)F)nn3-c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226914078 1034881899 /nfs/dbraw/zinc/88/18/99/1034881899.db2.gz WKJGTRQBANVTOS-DZZGSBJMSA-N 1 2 365.355 2.882 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(C(F)(F)F)nn3-c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226914078 1034881911 /nfs/dbraw/zinc/88/19/11/1034881911.db2.gz WKJGTRQBANVTOS-DZZGSBJMSA-N 1 2 365.355 2.882 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](Cc3cnnn3-c3ccccc3)C[C@H]21 ZINC001221585236 1034896365 /nfs/dbraw/zinc/89/63/65/1034896365.db2.gz ZPNGJLSQUGUFAR-YLJYHZDGSA-N 1 2 365.481 2.656 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](Cc3cnnn3-c3ccccc3)C[C@H]21 ZINC001221585236 1034896370 /nfs/dbraw/zinc/89/63/70/1034896370.db2.gz ZPNGJLSQUGUFAR-YLJYHZDGSA-N 1 2 365.481 2.656 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](Cc3ccn(CC(F)(F)F)n3)C[C@H]21 ZINC001221585057 1034896756 /nfs/dbraw/zinc/89/67/56/1034896756.db2.gz QRJUMXLDJKMQQC-GDBMZVCRSA-N 1 2 370.419 2.834 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccn(CC(F)(F)F)n3)C[C@H]21 ZINC001221585057 1034896768 /nfs/dbraw/zinc/89/67/68/1034896768.db2.gz QRJUMXLDJKMQQC-GDBMZVCRSA-N 1 2 370.419 2.834 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)CCC1 ZINC001221611719 1034919603 /nfs/dbraw/zinc/91/96/03/1034919603.db2.gz IOXYEHDRGJZQLV-UYAOXDASSA-N 1 2 365.452 2.924 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)CCC1 ZINC001221611719 1034919609 /nfs/dbraw/zinc/91/96/09/1034919609.db2.gz IOXYEHDRGJZQLV-UYAOXDASSA-N 1 2 365.452 2.924 20 30 FFEDLO CC(C)Cc1ccc(C[NH+]2CC3(C2)COCC(=O)N3CCCC#N)cc1 ZINC001277185048 1034954710 /nfs/dbraw/zinc/95/47/10/1034954710.db2.gz GUJMDSNYGWDYOK-UHFFFAOYSA-N 1 2 355.482 2.602 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001221760275 1035044860 /nfs/dbraw/zinc/04/48/60/1035044860.db2.gz ASFZDSSOGKYTTH-ZHALLVOQSA-N 1 2 355.482 2.760 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001221760275 1035044868 /nfs/dbraw/zinc/04/48/68/1035044868.db2.gz ASFZDSSOGKYTTH-ZHALLVOQSA-N 1 2 355.482 2.760 20 30 FFEDLO N#Cc1c(Cl)cccc1C[N@H+]1C[C@@H](NC(=O)C2CC2)[C@H]2OCCC[C@H]2C1 ZINC001139689677 1035198541 /nfs/dbraw/zinc/19/85/41/1035198541.db2.gz SKOJALWFPQJAKX-IPELMVKDSA-N 1 2 373.884 2.717 20 30 FFEDLO N#Cc1c(Cl)cccc1C[N@@H+]1C[C@@H](NC(=O)C2CC2)[C@H]2OCCC[C@H]2C1 ZINC001139689677 1035198544 /nfs/dbraw/zinc/19/85/44/1035198544.db2.gz SKOJALWFPQJAKX-IPELMVKDSA-N 1 2 373.884 2.717 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2c[nH]c3c2cccc3C#N)Cc2nnn(CC)c21 ZINC001139702225 1035202032 /nfs/dbraw/zinc/20/20/32/1035202032.db2.gz ZTFVHDQLOBSRFQ-MRXNPFEDSA-N 1 2 364.453 2.787 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C#N)Cc2nnn(CC)c21 ZINC001139702225 1035202038 /nfs/dbraw/zinc/20/20/38/1035202038.db2.gz ZTFVHDQLOBSRFQ-MRXNPFEDSA-N 1 2 364.453 2.787 20 30 FFEDLO COC(=O)c1ccc(N2CC[NH+](Cc3cc(F)cc(C#N)c3)CC2)cc1 ZINC001139876141 1035264122 /nfs/dbraw/zinc/26/41/22/1035264122.db2.gz MNSFRCSKJLFPRY-UHFFFAOYSA-N 1 2 353.397 2.806 20 30 FFEDLO N#Cc1ccc(CN2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c(F)c1 ZINC001140136855 1035354892 /nfs/dbraw/zinc/35/48/92/1035354892.db2.gz PTEVDOGBKQWQKX-QGZVFWFLSA-N 1 2 354.429 2.952 20 30 FFEDLO COc1cccc(-c2ncc(C[N@@H+]3CC[C@@H]4SC(=O)C=C4C3)cn2)c1 ZINC001140194811 1035375257 /nfs/dbraw/zinc/37/52/57/1035375257.db2.gz IPKDZWKSOGTHHK-KRWDZBQOSA-N 1 2 353.447 2.926 20 30 FFEDLO COc1cccc(-c2ncc(C[N@H+]3CC[C@@H]4SC(=O)C=C4C3)cn2)c1 ZINC001140194811 1035375262 /nfs/dbraw/zinc/37/52/62/1035375262.db2.gz IPKDZWKSOGTHHK-KRWDZBQOSA-N 1 2 353.447 2.926 20 30 FFEDLO C[NH+]1CCN(c2ccc(C=[NH+]Nc3ccc(C(=O)[O-])cc3F)cc2)CC1 ZINC000835012693 1035487001 /nfs/dbraw/zinc/48/70/01/1035487001.db2.gz SBRILPLDODLRKU-UHFFFAOYSA-N 1 2 356.401 2.722 20 30 FFEDLO CC1(C)OCC[C@H]1N[NH+]=Cc1ccc(C=NN[C@H]2CCOC2(C)C)cc1 ZINC000835016433 1035487729 /nfs/dbraw/zinc/48/77/29/1035487729.db2.gz ZHGJTZGMGGXABS-HDICACEKSA-N 1 2 358.486 2.669 20 30 FFEDLO CC1(C)OCC[C@H]1NN=Cc1ccc(C=[NH+]N[C@H]2CCOC2(C)C)cc1 ZINC000835016433 1035487733 /nfs/dbraw/zinc/48/77/33/1035487733.db2.gz ZHGJTZGMGGXABS-HDICACEKSA-N 1 2 358.486 2.669 20 30 FFEDLO COC(=O)c1cccc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)c1F ZINC000835018423 1035487766 /nfs/dbraw/zinc/48/77/66/1035487766.db2.gz NZLKSIAKRYNLGB-UHFFFAOYSA-N 1 2 357.385 2.895 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC001227972817 1035842003 /nfs/dbraw/zinc/84/20/03/1035842003.db2.gz GXMZRKYWPYKWQZ-QZTJIDSGSA-N 1 2 367.497 2.997 20 30 FFEDLO COCCOc1ccccc1N1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232681860 1035938885 /nfs/dbraw/zinc/93/88/85/1035938885.db2.gz WUONTZZOVNXGOZ-UHFFFAOYSA-N 1 2 367.449 2.611 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc4ccccc4cc3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228296301 1036035522 /nfs/dbraw/zinc/03/55/22/1036035522.db2.gz RFDKLVRGLXFYDX-BDOHNGBXSA-N 1 2 361.239 2.989 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc4ccccc4cc3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228296301 1036035544 /nfs/dbraw/zinc/03/55/44/1036035544.db2.gz RFDKLVRGLXFYDX-BDOHNGBXSA-N 1 2 361.239 2.989 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H](NC(=O)CC2CC2)[C@H]2OCCC[C@H]2C1 ZINC001232889533 1036133224 /nfs/dbraw/zinc/13/32/24/1036133224.db2.gz JULHZVWJIGUGAM-SCWSEQNSSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H](NC(=O)CC2CC2)[C@H]2OCCC[C@H]2C1 ZINC001232889533 1036133233 /nfs/dbraw/zinc/13/32/33/1036133233.db2.gz JULHZVWJIGUGAM-SCWSEQNSSA-N 1 2 371.456 2.593 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Cl)nc(C(F)(F)F)c1 ZINC001277316326 1036196766 /nfs/dbraw/zinc/19/67/66/1036196766.db2.gz SZZSKAAGVOGHCH-CHWSQXEVSA-N 1 2 371.790 2.952 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)nc(C(F)(F)F)c1 ZINC001277316326 1036196772 /nfs/dbraw/zinc/19/67/72/1036196772.db2.gz SZZSKAAGVOGHCH-CHWSQXEVSA-N 1 2 371.790 2.952 20 30 FFEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001233045755 1036291302 /nfs/dbraw/zinc/29/13/02/1036291302.db2.gz VGWDHPSHUQGEGB-UYAOXDASSA-N 1 2 370.428 2.871 20 30 FFEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001233045755 1036291319 /nfs/dbraw/zinc/29/13/19/1036291319.db2.gz VGWDHPSHUQGEGB-UYAOXDASSA-N 1 2 370.428 2.871 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(C#N)c(F)cc1F ZINC001277333610 1036351138 /nfs/dbraw/zinc/35/11/38/1036351138.db2.gz PGNFZNIQWXRHQP-QZTJIDSGSA-N 1 2 358.392 2.706 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C#N)c(F)cc1F ZINC001277333610 1036351153 /nfs/dbraw/zinc/35/11/53/1036351153.db2.gz PGNFZNIQWXRHQP-QZTJIDSGSA-N 1 2 358.392 2.706 20 30 FFEDLO C#CCOc1ccc(CNC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000836266477 1036378751 /nfs/dbraw/zinc/37/87/51/1036378751.db2.gz KBXTUHZESMVDDX-UHFFFAOYSA-N 1 2 353.422 2.718 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncnc4ccc(C(F)(F)F)cc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229009930 1036454506 /nfs/dbraw/zinc/45/45/06/1036454506.db2.gz AQKIBQYFKCZATC-BSRWDCPYSA-N 1 2 351.328 2.640 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncnc4ccc(C(F)(F)F)cc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229009930 1036454517 /nfs/dbraw/zinc/45/45/17/1036454517.db2.gz AQKIBQYFKCZATC-BSRWDCPYSA-N 1 2 351.328 2.640 20 30 FFEDLO N#Cc1ccc2ncnc(OC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)c2c1 ZINC001229103732 1036498773 /nfs/dbraw/zinc/49/87/73/1036498773.db2.gz FNVSMERKAYFAGM-SFHVURJKSA-N 1 2 360.417 2.781 20 30 FFEDLO N#Cc1ccc2ncnc(OC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)c2c1 ZINC001229103732 1036498784 /nfs/dbraw/zinc/49/87/84/1036498784.db2.gz FNVSMERKAYFAGM-SFHVURJKSA-N 1 2 360.417 2.781 20 30 FFEDLO CC[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2cn3cc(C#N)ccc3n2)C1=O ZINC001277377443 1036617501 /nfs/dbraw/zinc/61/75/01/1036617501.db2.gz JYSZYOANFDEHOC-YWZLYKJASA-N 1 2 351.454 2.571 20 30 FFEDLO CC[C@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2cn3cc(C#N)ccc3n2)C1=O ZINC001277377443 1036617510 /nfs/dbraw/zinc/61/75/10/1036617510.db2.gz JYSZYOANFDEHOC-YWZLYKJASA-N 1 2 351.454 2.571 20 30 FFEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1c(Cl)ccnc1F)CC2 ZINC001277822138 1036833733 /nfs/dbraw/zinc/83/37/33/1036833733.db2.gz QKKVNTGNJYSYKY-CQSZACIVSA-N 1 2 364.852 2.896 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(Cl)c(Cl)cc2O)C1=O ZINC001277829910 1036908524 /nfs/dbraw/zinc/90/85/24/1036908524.db2.gz KMJOEIVASFRTAT-QGZVFWFLSA-N 1 2 353.249 2.899 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2nc3ccc(F)cc3o2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001206949764 1036969515 /nfs/dbraw/zinc/96/95/15/1036969515.db2.gz OUROQHSQFXPBTA-CZUORRHYSA-N 1 2 357.429 2.953 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2nc3ccc(F)cc3o2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001206949764 1036969521 /nfs/dbraw/zinc/96/95/21/1036969521.db2.gz OUROQHSQFXPBTA-CZUORRHYSA-N 1 2 357.429 2.953 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)NC3CCCC3)CC2)c1 ZINC001277850403 1037008028 /nfs/dbraw/zinc/00/80/28/1037008028.db2.gz SBRORCSRCQMDEV-GOSISDBHSA-N 1 2 353.466 2.925 20 30 FFEDLO Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2cc(C#N)n(C)c2)n1 ZINC001207103975 1037146229 /nfs/dbraw/zinc/14/62/29/1037146229.db2.gz DUHGAWXHXSZCIV-PWRODBHTSA-N 1 2 366.465 2.549 20 30 FFEDLO Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2cc(C#N)n(C)c2)n1 ZINC001207103975 1037146234 /nfs/dbraw/zinc/14/62/34/1037146234.db2.gz DUHGAWXHXSZCIV-PWRODBHTSA-N 1 2 366.465 2.549 20 30 FFEDLO C#C[C@@H](CCC)NC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001230498550 1037293105 /nfs/dbraw/zinc/29/31/05/1037293105.db2.gz FWJMDKJQZRTAES-KRWDZBQOSA-N 1 2 363.889 2.848 20 30 FFEDLO N#Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)c2cccc(F)c2)CC1 ZINC001255687558 1038128083 /nfs/dbraw/zinc/12/80/83/1038128083.db2.gz FAGQAUOBKYOXMX-UHFFFAOYSA-N 1 2 373.453 2.640 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC(C)=C(C)C)C2)c1 ZINC001208335755 1038224126 /nfs/dbraw/zinc/22/41/26/1038224126.db2.gz AEXXVFWMLWPOTB-YLJYHZDGSA-N 1 2 367.493 2.789 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC(C)=C(C)C)C2)c1 ZINC001208335755 1038224140 /nfs/dbraw/zinc/22/41/40/1038224140.db2.gz AEXXVFWMLWPOTB-YLJYHZDGSA-N 1 2 367.493 2.789 20 30 FFEDLO CC(=O)[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C)cc1C#N)CC2 ZINC001278005258 1038235433 /nfs/dbraw/zinc/23/54/33/1038235433.db2.gz FEUWERITJNQUFN-BEFAXECRSA-N 1 2 353.466 2.563 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CC3(C2)CCN(C(=O)Cc2ccsc2)C3)c1 ZINC001278895709 1038246070 /nfs/dbraw/zinc/24/60/70/1038246070.db2.gz ZQUXTQDGGTZGFO-UHFFFAOYSA-N 1 2 367.474 2.602 20 30 FFEDLO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)c(C#N)c1 ZINC001278006834 1038248110 /nfs/dbraw/zinc/24/81/10/1038248110.db2.gz UHWRHOWGSCMYCJ-HZPDHXFCSA-N 1 2 351.372 2.994 20 30 FFEDLO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)c(C#N)c1 ZINC001278006834 1038248124 /nfs/dbraw/zinc/24/81/24/1038248124.db2.gz UHWRHOWGSCMYCJ-HZPDHXFCSA-N 1 2 351.372 2.994 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001208393345 1038279954 /nfs/dbraw/zinc/27/99/54/1038279954.db2.gz PKYZDDMEEVHNSP-ZIFCJYIRSA-N 1 2 357.498 2.972 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001208393345 1038279960 /nfs/dbraw/zinc/27/99/60/1038279960.db2.gz PKYZDDMEEVHNSP-ZIFCJYIRSA-N 1 2 357.498 2.972 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3occc3C)o2)C[C@H]1C ZINC001208458567 1038329533 /nfs/dbraw/zinc/32/95/33/1038329533.db2.gz ORVUYXRAKMWYMS-HUUCEWRRSA-N 1 2 358.442 2.931 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3occc3C)o2)C[C@H]1C ZINC001208458567 1038329545 /nfs/dbraw/zinc/32/95/45/1038329545.db2.gz ORVUYXRAKMWYMS-HUUCEWRRSA-N 1 2 358.442 2.931 20 30 FFEDLO COCCOCN1CC[C@@]2(C1)CCC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001278939851 1038531296 /nfs/dbraw/zinc/53/12/96/1038531296.db2.gz UTBAGUIZCJHUPF-FQEVSTJZSA-N 1 2 361.461 2.606 20 30 FFEDLO COCCOCN1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001278939851 1038531305 /nfs/dbraw/zinc/53/13/05/1038531305.db2.gz UTBAGUIZCJHUPF-FQEVSTJZSA-N 1 2 361.461 2.606 20 30 FFEDLO C=CCCC[N@@H+]1Cc2ncnn2C2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001209157457 1038690538 /nfs/dbraw/zinc/69/05/38/1038690538.db2.gz CRKZMONWGIVKLX-UHFFFAOYSA-N 1 2 361.490 2.786 20 30 FFEDLO C=CCCC[N@H+]1Cc2ncnn2C2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001209157457 1038690543 /nfs/dbraw/zinc/69/05/43/1038690543.db2.gz CRKZMONWGIVKLX-UHFFFAOYSA-N 1 2 361.490 2.786 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+]([C@H](C)c3nncn3C)C[C@H]2C)CCCCC1 ZINC001209407089 1038846237 /nfs/dbraw/zinc/84/62/37/1038846237.db2.gz ZIDOBVWMAPBXMQ-BRWVUGGUSA-N 1 2 359.518 2.839 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+]([C@H](C)c3nncn3C)C[C@H]2C)CCCCC1 ZINC001209407089 1038846251 /nfs/dbraw/zinc/84/62/51/1038846251.db2.gz ZIDOBVWMAPBXMQ-BRWVUGGUSA-N 1 2 359.518 2.839 20 30 FFEDLO CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001278638139 1039336192 /nfs/dbraw/zinc/33/61/92/1039336192.db2.gz LACDUEBHHOPGPM-HDICACEKSA-N 1 2 353.445 2.763 20 30 FFEDLO CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001278638139 1039336207 /nfs/dbraw/zinc/33/62/07/1039336207.db2.gz LACDUEBHHOPGPM-HDICACEKSA-N 1 2 353.445 2.763 20 30 FFEDLO C=CCN1CC2(CCC1=O)CC[NH+](CC(=O)c1cccc(C#N)c1)CC2 ZINC001276678930 1039393888 /nfs/dbraw/zinc/39/38/88/1039393888.db2.gz QNNWUYUMZFZNQH-UHFFFAOYSA-N 1 2 351.450 2.632 20 30 FFEDLO C=CCC[C@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001252603740 1039611046 /nfs/dbraw/zinc/61/10/46/1039611046.db2.gz GDQMYJUGFGBTHN-STQMWFEESA-N 1 2 352.397 2.797 20 30 FFEDLO C=CCC[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001252603740 1039611058 /nfs/dbraw/zinc/61/10/58/1039611058.db2.gz GDQMYJUGFGBTHN-STQMWFEESA-N 1 2 352.397 2.797 20 30 FFEDLO CCCCCCCCNC(=S)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001247141006 1039632344 /nfs/dbraw/zinc/63/23/44/1039632344.db2.gz HSFZRGDMDYMKOP-UHFFFAOYSA-N 1 2 367.563 2.862 20 30 FFEDLO CCCCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC001259415906 1039986030 /nfs/dbraw/zinc/98/60/30/1039986030.db2.gz JFPWHMYHTFDZTD-UHFFFAOYSA-N 1 2 353.463 2.584 20 30 FFEDLO Cc1nnc([C@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)s1 ZINC001211232036 1040018341 /nfs/dbraw/zinc/01/83/41/1040018341.db2.gz FDJJNBVFPCAXNE-RVKKMQEKSA-N 1 2 368.506 2.786 20 30 FFEDLO Cc1nnc([C@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)s1 ZINC001211232036 1040018359 /nfs/dbraw/zinc/01/83/59/1040018359.db2.gz FDJJNBVFPCAXNE-RVKKMQEKSA-N 1 2 368.506 2.786 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001247971862 1040084126 /nfs/dbraw/zinc/08/41/26/1040084126.db2.gz MBNJVABQYRIHJT-INIZCTEOSA-N 1 2 364.405 2.973 20 30 FFEDLO C#CC[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1C)c1ccccc1 ZINC001211473561 1040238687 /nfs/dbraw/zinc/23/86/87/1040238687.db2.gz SGXFLZSTAWHMLG-IMFGXOCKSA-N 1 2 351.450 2.808 20 30 FFEDLO C#CC[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1C)c1ccccc1 ZINC001211473561 1040238698 /nfs/dbraw/zinc/23/86/98/1040238698.db2.gz SGXFLZSTAWHMLG-IMFGXOCKSA-N 1 2 351.450 2.808 20 30 FFEDLO C=C[C@H](O)C[NH2+][C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001253601828 1040252596 /nfs/dbraw/zinc/25/25/96/1040252596.db2.gz XJDUERDUSJDSGQ-GJZGRUSLSA-N 1 2 372.506 2.528 20 30 FFEDLO CCCCCCCCCCCCOCCOC[C@H](O)C[NH+]1CC(O)C1 ZINC001253615555 1040256708 /nfs/dbraw/zinc/25/67/08/1040256708.db2.gz KLUFEASBYAPVKL-HXUWFJFHSA-N 1 2 359.551 2.978 20 30 FFEDLO N#Cc1cc(F)cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CCCC(F)(F)F)c1 ZINC001278734660 1040297879 /nfs/dbraw/zinc/29/78/79/1040297879.db2.gz GDCDJUJVCLINTI-SJORKVTESA-N 1 2 371.378 2.925 20 30 FFEDLO N#Cc1cc(F)cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CCCC(F)(F)F)c1 ZINC001278734660 1040297892 /nfs/dbraw/zinc/29/78/92/1040297892.db2.gz GDCDJUJVCLINTI-SJORKVTESA-N 1 2 371.378 2.925 20 30 FFEDLO C=CCS(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001259927220 1040302339 /nfs/dbraw/zinc/30/23/39/1040302339.db2.gz UQMRHGUNOVTCGF-UHFFFAOYSA-N 1 2 356.491 2.909 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(F)c2)C[C@H]1OC ZINC001213319729 1040442885 /nfs/dbraw/zinc/44/28/85/1040442885.db2.gz AJXXURMMVKIFHY-LSBZLQRGSA-N 1 2 364.461 2.752 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)C[C@H]1OC ZINC001213319729 1040442896 /nfs/dbraw/zinc/44/28/96/1040442896.db2.gz AJXXURMMVKIFHY-LSBZLQRGSA-N 1 2 364.461 2.752 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(F)c2)C[C@H]1OC ZINC001213389745 1040501555 /nfs/dbraw/zinc/50/15/55/1040501555.db2.gz GCBBQJQFXSOGMD-POAQFYNOSA-N 1 2 364.461 2.752 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)C[C@H]1OC ZINC001213389745 1040501572 /nfs/dbraw/zinc/50/15/72/1040501572.db2.gz GCBBQJQFXSOGMD-POAQFYNOSA-N 1 2 364.461 2.752 20 30 FFEDLO COc1ccc(Cn2cc(C[N@@H+]3CC[C@H]4SC(=O)C=C4C3)cn2)cc1 ZINC001249323485 1040683057 /nfs/dbraw/zinc/68/30/57/1040683057.db2.gz UWYVAEOOSQHBNW-GOSISDBHSA-N 1 2 355.463 2.714 20 30 FFEDLO COc1ccc(Cn2cc(C[N@H+]3CC[C@H]4SC(=O)C=C4C3)cn2)cc1 ZINC001249323485 1040683066 /nfs/dbraw/zinc/68/30/66/1040683066.db2.gz UWYVAEOOSQHBNW-GOSISDBHSA-N 1 2 355.463 2.714 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)CCC(C)(C)C ZINC001213606203 1040712621 /nfs/dbraw/zinc/71/26/21/1040712621.db2.gz KOGCEMROQULCCI-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)CCC(C)(C)C ZINC001213606203 1040712638 /nfs/dbraw/zinc/71/26/38/1040712638.db2.gz KOGCEMROQULCCI-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+](Cc3nc4ccc(OC)cc4[nH]3)C2)C1=O ZINC001249412785 1040736417 /nfs/dbraw/zinc/73/64/17/1040736417.db2.gz VJHXURDNFJNJIP-FQEVSTJZSA-N 1 2 354.454 2.572 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+](Cc3nc4ccc(OC)cc4[nH]3)C2)C1=O ZINC001249412785 1040736434 /nfs/dbraw/zinc/73/64/34/1040736434.db2.gz VJHXURDNFJNJIP-FQEVSTJZSA-N 1 2 354.454 2.572 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2OC)CCCC1 ZINC001214002096 1041151844 /nfs/dbraw/zinc/15/18/44/1041151844.db2.gz VMNHBVWBCRPTAB-NHCUHLMSSA-N 1 2 366.505 2.990 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2OC)CCCC1 ZINC001214002096 1041151850 /nfs/dbraw/zinc/15/18/50/1041151850.db2.gz VMNHBVWBCRPTAB-NHCUHLMSSA-N 1 2 366.505 2.990 20 30 FFEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCc2ccccc2N(CC(=O)OC(C)(C)C)C1=O ZINC001255157016 1041175850 /nfs/dbraw/zinc/17/58/50/1041175850.db2.gz WKYPLAVZWDBCAZ-IRXDYDNUSA-N 1 2 371.481 2.958 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@@H](C2CCCCC2)C1 ZINC001262947168 1041981787 /nfs/dbraw/zinc/98/17/87/1041981787.db2.gz GUAQVDYQFBUSFY-QYZOEREBSA-N 1 2 373.545 2.998 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H](C2CCCCC2)C1 ZINC001262947168 1041981791 /nfs/dbraw/zinc/98/17/91/1041981791.db2.gz GUAQVDYQFBUSFY-QYZOEREBSA-N 1 2 373.545 2.998 20 30 FFEDLO C=CCn1c(N2CCC3(C2)CCCCC3)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001262988484 1042012600 /nfs/dbraw/zinc/01/26/00/1042012600.db2.gz UBYBAWPGVXZYHT-QFBILLFUSA-N 1 2 359.518 2.536 20 30 FFEDLO C=CCn1c(N2CCC3(C2)CCCCC3)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001262988484 1042012606 /nfs/dbraw/zinc/01/26/06/1042012606.db2.gz UBYBAWPGVXZYHT-QFBILLFUSA-N 1 2 359.518 2.536 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)[C@H](C)CC#N ZINC001263394896 1042278484 /nfs/dbraw/zinc/27/84/84/1042278484.db2.gz IUROEVLQXCNZKK-IKGGRYGDSA-N 1 2 360.506 2.598 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)[C@H](C)CC#N ZINC001263394896 1042278488 /nfs/dbraw/zinc/27/84/88/1042278488.db2.gz IUROEVLQXCNZKK-IKGGRYGDSA-N 1 2 360.506 2.598 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@H](CC#N)C2)n1C[C@H]1CCCO1 ZINC001263461177 1042324498 /nfs/dbraw/zinc/32/44/98/1042324498.db2.gz OCFUHCWQKHXCDO-KZNAEPCWSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@H](CC#N)C2)n1C[C@H]1CCCO1 ZINC001263461177 1042324505 /nfs/dbraw/zinc/32/45/05/1042324505.db2.gz OCFUHCWQKHXCDO-KZNAEPCWSA-N 1 2 372.517 2.744 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001263991923 1042569179 /nfs/dbraw/zinc/56/91/79/1042569179.db2.gz VOZSHAMCCTYOMC-CVEARBPZSA-N 1 2 362.522 2.501 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C(C)C)nn3)CC[C@@H]2C1 ZINC001264650439 1042769914 /nfs/dbraw/zinc/76/99/14/1042769914.db2.gz QOWAOQVBWDGABB-KSZLIROESA-N 1 2 359.518 2.742 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[N@H+](Cc3cn(C(C)C)nn3)CC[C@@H]2C1 ZINC001264650439 1042769916 /nfs/dbraw/zinc/76/99/16/1042769916.db2.gz QOWAOQVBWDGABB-KSZLIROESA-N 1 2 359.518 2.742 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4nncs4)CC[C@@H]3C2)CCCC1 ZINC001264659998 1042775152 /nfs/dbraw/zinc/77/51/52/1042775152.db2.gz XGJGPBLMUICCLZ-CVEARBPZSA-N 1 2 360.527 2.955 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@H+](Cc4nncs4)CC[C@@H]3C2)CCCC1 ZINC001264659998 1042775153 /nfs/dbraw/zinc/77/51/53/1042775153.db2.gz XGJGPBLMUICCLZ-CVEARBPZSA-N 1 2 360.527 2.955 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C/C=C(\C)C=C)[C@H]2C)c1 ZINC001264714882 1042796800 /nfs/dbraw/zinc/79/68/00/1042796800.db2.gz DIIMSMKYMROMLP-LGVXVNSESA-N 1 2 365.477 2.708 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C/C=C(\C)C=C)[C@H]2C)c1 ZINC001264714882 1042796804 /nfs/dbraw/zinc/79/68/04/1042796804.db2.gz DIIMSMKYMROMLP-LGVXVNSESA-N 1 2 365.477 2.708 20 30 FFEDLO N#CC[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC001538547386 1070450611 /nfs/dbraw/zinc/45/06/11/1070450611.db2.gz HSNKYAYCUQETSX-OAQYLSRUSA-N 1 2 358.445 2.900 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccccc1NC(C)=O)CCC2 ZINC001237406682 1043145024 /nfs/dbraw/zinc/14/50/24/1043145024.db2.gz OWBWZJXKFMVYRE-UHFFFAOYSA-N 1 2 354.454 2.950 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccccc1NC(C)=O)CCC2 ZINC001237406682 1043145027 /nfs/dbraw/zinc/14/50/27/1043145027.db2.gz OWBWZJXKFMVYRE-UHFFFAOYSA-N 1 2 354.454 2.950 20 30 FFEDLO Cc1ccc(F)c(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c1F ZINC001279525282 1043223589 /nfs/dbraw/zinc/22/35/89/1043223589.db2.gz LUEJKTKBDNAGHG-UHFFFAOYSA-N 1 2 356.420 2.801 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc4ncnc(Cl)c4c3)CC2)c1 ZINC001237578933 1043252111 /nfs/dbraw/zinc/25/21/11/1043252111.db2.gz MIVBBVSRRZMVPT-UHFFFAOYSA-N 1 2 364.840 2.872 20 30 FFEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)c1 ZINC001237756229 1043343135 /nfs/dbraw/zinc/34/31/35/1043343135.db2.gz XXYSWUKCLJWHPA-GOSISDBHSA-N 1 2 361.873 2.719 20 30 FFEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)c1 ZINC001237756229 1043343142 /nfs/dbraw/zinc/34/31/42/1043343142.db2.gz XXYSWUKCLJWHPA-GOSISDBHSA-N 1 2 361.873 2.719 20 30 FFEDLO N#CCC1CN(C(=O)[C@H]2CC23C[NH+](Cc2ccc(Br)cc2)C3)C1 ZINC001279736877 1043557559 /nfs/dbraw/zinc/55/75/59/1043557559.db2.gz OGUPAGFSWIQKOD-MRXNPFEDSA-N 1 2 374.282 2.643 20 30 FFEDLO Cn1nncc1C[NH+]1CCC(C#N)(c2ccc(Br)cc2)CC1 ZINC001238160357 1043577835 /nfs/dbraw/zinc/57/78/35/1043577835.db2.gz CINYHAFXRMXKMR-UHFFFAOYSA-N 1 2 360.259 2.635 20 30 FFEDLO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001310963320 1043774529 /nfs/dbraw/zinc/77/45/29/1043774529.db2.gz IGICLFRQVNJFHE-HNNXBMFYSA-N 1 2 374.404 2.997 20 30 FFEDLO CCCCCCCNC(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001279912089 1043911621 /nfs/dbraw/zinc/91/16/21/1043911621.db2.gz WWZJIDYIZWGQLW-UHFFFAOYSA-N 1 2 357.502 2.694 20 30 FFEDLO COc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2C[C@]21C(=O)N1CC(CC#N)C1 ZINC001279932654 1043938438 /nfs/dbraw/zinc/93/84/38/1043938438.db2.gz AEYAPUPQLCLTEG-HNAYVOBHSA-N 1 2 359.857 2.685 20 30 FFEDLO COc1ccc(Cl)cc1C[N@H+]1CC[C@H]2C[C@]21C(=O)N1CC(CC#N)C1 ZINC001279932654 1043938443 /nfs/dbraw/zinc/93/84/43/1043938443.db2.gz AEYAPUPQLCLTEG-HNAYVOBHSA-N 1 2 359.857 2.685 20 30 FFEDLO N#Cc1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001239093640 1044018870 /nfs/dbraw/zinc/01/88/70/1044018870.db2.gz OUAOIFWHNZFRIV-MRXNPFEDSA-N 1 2 361.854 2.547 20 30 FFEDLO N#Cc1ccccc1NC(=S)N1C[C@@H]2COC[C@H](C1)[N@@H+]2C1CCCC1 ZINC001279986669 1044042334 /nfs/dbraw/zinc/04/23/34/1044042334.db2.gz UNVDOHWUSHMEOG-CALCHBBNSA-N 1 2 356.495 2.583 20 30 FFEDLO N#Cc1ccccc1NC(=S)N1C[C@@H]2COC[C@H](C1)[N@H+]2C1CCCC1 ZINC001279986669 1044042344 /nfs/dbraw/zinc/04/23/44/1044042344.db2.gz UNVDOHWUSHMEOG-CALCHBBNSA-N 1 2 356.495 2.583 20 30 FFEDLO N#Cc1ccc(CN2CC3(C2)C[NH+](Cc2cccc(=O)[nH]2)C3)c(Cl)c1 ZINC001280038180 1044119323 /nfs/dbraw/zinc/11/93/23/1044119323.db2.gz XFRCZENYMILSHB-UHFFFAOYSA-N 1 2 354.841 2.630 20 30 FFEDLO CCOC(=O)c1cc(-c2ccc(C[NH+]3CCOCC3)nc2)ccc1C#N ZINC001239591427 1044136978 /nfs/dbraw/zinc/13/69/78/1044136978.db2.gz USFFQJNJBHXZQJ-UHFFFAOYSA-N 1 2 351.406 2.629 20 30 FFEDLO Cc1cc(C[NH+]2CC3(CN(Cc4ccc(Cl)c(C#N)c4)C3)C2)n(C)n1 ZINC001280073214 1044173226 /nfs/dbraw/zinc/17/32/26/1044173226.db2.gz ZWTVLQSNEUQUIQ-UHFFFAOYSA-N 1 2 355.873 2.571 20 30 FFEDLO C=C(C)[C@@H]1CC=C(C[NH+]2CC3(C2)CC[C@@H](C(=O)N(C)CCOC)O3)CC1 ZINC001280235205 1044441054 /nfs/dbraw/zinc/44/10/54/1044441054.db2.gz VMYPLQGWKXUBFY-MOPGFXCFSA-N 1 2 362.514 2.627 20 30 FFEDLO CCOC(=O)c1cc(C)nc(-c2cccc(C[NH+]3CCOCC3)c2)c1C#N ZINC001241814517 1044607388 /nfs/dbraw/zinc/60/73/88/1044607388.db2.gz NYDDANOUUWATTO-UHFFFAOYSA-N 1 2 365.433 2.938 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CSCC#N)CC[N@@H+]1Cc1ncoc1C(C)C ZINC001316728710 1044740954 /nfs/dbraw/zinc/74/09/54/1044740954.db2.gz KCKKLCBDCCTRFL-DZGCQCFKSA-N 1 2 350.488 2.524 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CSCC#N)CC[N@H+]1Cc1ncoc1C(C)C ZINC001316728710 1044740963 /nfs/dbraw/zinc/74/09/63/1044740963.db2.gz KCKKLCBDCCTRFL-DZGCQCFKSA-N 1 2 350.488 2.524 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2C)[C@@H]1C ZINC001316781737 1044949081 /nfs/dbraw/zinc/94/90/81/1044949081.db2.gz VYFQAIGISIWLLH-MSOLQXFVSA-N 1 2 355.482 2.624 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2C)[C@@H]1C ZINC001316781737 1044949095 /nfs/dbraw/zinc/94/90/95/1044949095.db2.gz VYFQAIGISIWLLH-MSOLQXFVSA-N 1 2 355.482 2.624 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001281761939 1045085939 /nfs/dbraw/zinc/08/59/39/1045085939.db2.gz HXIXITZNOLMFAC-HDMKZQKVSA-N 1 2 368.481 2.822 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001281800831 1045155201 /nfs/dbraw/zinc/15/52/01/1045155201.db2.gz GFBDXNCTOHNOOO-DUXSXAKTSA-N 1 2 354.454 2.742 20 30 FFEDLO S=C(NCCc1ccccn1)N[NH+]=Cc1ccccc1N1CCCC1 ZINC001318207796 1045243278 /nfs/dbraw/zinc/24/32/78/1045243278.db2.gz QHUGCCDIDAHQBK-UHFFFAOYSA-N 1 2 353.495 2.723 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C)n2Cc2ccc3sccc3c2)CC1 ZINC001539431261 1070637004 /nfs/dbraw/zinc/63/70/04/1070637004.db2.gz SKVAZXDGKDEPCE-UHFFFAOYSA-N 1 2 351.479 2.605 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2Cc2csc(C)c2)CC1 ZINC001539446131 1070639475 /nfs/dbraw/zinc/63/94/75/1070639475.db2.gz RPAYJAPGKMIZFF-UHFFFAOYSA-N 1 2 355.511 2.719 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](CN2C[C@H](COc3cc(C)cc(C)c3)OC2=O)C1 ZINC001320309541 1045387974 /nfs/dbraw/zinc/38/79/74/1045387974.db2.gz ZRRXNIRIVASAFI-IEBWSBKVSA-N 1 2 360.454 2.737 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](CN2C[C@H](COc3cc(C)cc(C)c3)OC2=O)C1 ZINC001320309541 1045387975 /nfs/dbraw/zinc/38/79/75/1045387975.db2.gz ZRRXNIRIVASAFI-IEBWSBKVSA-N 1 2 360.454 2.737 20 30 FFEDLO C=CCCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001282196803 1045411261 /nfs/dbraw/zinc/41/12/61/1045411261.db2.gz IGNAODZNTDAPJC-OWCLPIDISA-N 1 2 358.486 2.539 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)C1 ZINC001323728292 1045700584 /nfs/dbraw/zinc/70/05/84/1045700584.db2.gz KGVAXGCONKOWJT-WBVHZDCISA-N 1 2 369.421 2.827 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)C1 ZINC001323728292 1045700600 /nfs/dbraw/zinc/70/06/00/1045700600.db2.gz KGVAXGCONKOWJT-WBVHZDCISA-N 1 2 369.421 2.827 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)[C@H](C)C1 ZINC001282500961 1045724156 /nfs/dbraw/zinc/72/41/56/1045724156.db2.gz ACFBMELZRDJWPV-CRAIPNDOSA-N 1 2 355.482 2.635 20 30 FFEDLO Cc1c(C#N)cccc1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC001321727640 1045775476 /nfs/dbraw/zinc/77/54/76/1045775476.db2.gz OKHXDTALIHHPCX-UHFFFAOYSA-N 1 2 362.433 2.507 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1c[nH+]ccc1OC ZINC001286303559 1047070676 /nfs/dbraw/zinc/07/06/76/1047070676.db2.gz JWGOAWKCLVEUIV-AWEZNQCLSA-N 1 2 367.478 2.840 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CCc2scnc2C)CC1 ZINC001286472851 1047121383 /nfs/dbraw/zinc/12/13/83/1047121383.db2.gz WANJVCDQUJUOPY-HNNXBMFYSA-N 1 2 372.542 2.554 20 30 FFEDLO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1CC1([NH+]2CCOCC2)CC1 ZINC001286517171 1047126345 /nfs/dbraw/zinc/12/63/45/1047126345.db2.gz PCTHFAKXFNGNHJ-FXAWDEMLSA-N 1 2 371.529 2.649 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001288719982 1047501422 /nfs/dbraw/zinc/50/14/22/1047501422.db2.gz GPCNSWNBYYQNRG-CGTJXYLNSA-N 1 2 370.497 2.781 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001288719982 1047501425 /nfs/dbraw/zinc/50/14/25/1047501425.db2.gz GPCNSWNBYYQNRG-CGTJXYLNSA-N 1 2 370.497 2.781 20 30 FFEDLO C=CCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC001290591324 1048237531 /nfs/dbraw/zinc/23/75/31/1048237531.db2.gz ULNYOEJRKBUNLT-QAPCUYQASA-N 1 2 352.438 2.558 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2cnc(-c3ccc(OC)cc3)s2)CC1 ZINC001293712514 1049613105 /nfs/dbraw/zinc/61/31/05/1049613105.db2.gz FTSCGXVDZTYELI-UHFFFAOYSA-N 1 2 355.463 2.600 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2cnc(-c3ccc(OC)cc3)s2)CC1 ZINC001293712514 1049613113 /nfs/dbraw/zinc/61/31/13/1049613113.db2.gz FTSCGXVDZTYELI-UHFFFAOYSA-N 1 2 355.463 2.600 20 30 FFEDLO C=C(C)CCC(=O)NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1 ZINC001296749557 1050088559 /nfs/dbraw/zinc/08/85/59/1050088559.db2.gz KKLAMKSPYMHCBY-KZNAEPCWSA-N 1 2 366.465 2.843 20 30 FFEDLO C=C(C)CCC(=O)NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1 ZINC001296749557 1050088565 /nfs/dbraw/zinc/08/85/65/1050088565.db2.gz KKLAMKSPYMHCBY-KZNAEPCWSA-N 1 2 366.465 2.843 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC001339777529 1050197133 /nfs/dbraw/zinc/19/71/33/1050197133.db2.gz RBMNRFPXNLBAIC-MSOLQXFVSA-N 1 2 367.501 2.686 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001297568143 1050224283 /nfs/dbraw/zinc/22/42/83/1050224283.db2.gz KDBQHGHOODIZSE-STXHMFSFSA-N 1 2 358.486 2.517 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001297568143 1050224289 /nfs/dbraw/zinc/22/42/89/1050224289.db2.gz KDBQHGHOODIZSE-STXHMFSFSA-N 1 2 358.486 2.517 20 30 FFEDLO C=CCn1c(N2CC[C@H](C3CCCCC3)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339857662 1050275533 /nfs/dbraw/zinc/27/55/33/1050275533.db2.gz XITZVTZUJAYIID-WAOWUJCRSA-N 1 2 373.545 2.782 20 30 FFEDLO C=CCn1c(N2CC[C@H](C3CCCCC3)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339857662 1050275542 /nfs/dbraw/zinc/27/55/42/1050275542.db2.gz XITZVTZUJAYIID-WAOWUJCRSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C)C(C)(C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001341839384 1050451033 /nfs/dbraw/zinc/45/10/33/1050451033.db2.gz NQSVVXYDKOBLMR-TWOQFEAHSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C)C(C)(C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001341839384 1050451041 /nfs/dbraw/zinc/45/10/41/1050451041.db2.gz NQSVVXYDKOBLMR-TWOQFEAHSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](CF)C1 ZINC001341908425 1050508472 /nfs/dbraw/zinc/50/84/72/1050508472.db2.gz TWFIHQVFOJFTFD-MRXNPFEDSA-N 1 2 360.481 2.743 20 30 FFEDLO C=CCn1c(Nc2ccc(OC)cc2)nnc1[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001340204212 1050612873 /nfs/dbraw/zinc/61/28/73/1050612873.db2.gz CGTNXBZQTSXTOF-QGZVFWFLSA-N 1 2 357.458 2.998 20 30 FFEDLO C=CCn1c(Nc2ccc(OC)cc2)nnc1[C@H]1C[N@H+](C(C)C)CCO1 ZINC001340204212 1050612884 /nfs/dbraw/zinc/61/28/84/1050612884.db2.gz CGTNXBZQTSXTOF-QGZVFWFLSA-N 1 2 357.458 2.998 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001342247055 1050838069 /nfs/dbraw/zinc/83/80/69/1050838069.db2.gz HBAASYAMHOQZQB-YLJYHZDGSA-N 1 2 372.517 2.766 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001342247055 1050838075 /nfs/dbraw/zinc/83/80/75/1050838075.db2.gz HBAASYAMHOQZQB-YLJYHZDGSA-N 1 2 372.517 2.766 20 30 FFEDLO C=CCn1c(N2CCCC3(CCCCC3)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001340560598 1050947754 /nfs/dbraw/zinc/94/77/54/1050947754.db2.gz ZHDVHTNPSGBVSE-PXNSSMCTSA-N 1 2 373.545 2.926 20 30 FFEDLO C=CCn1c(N2CCCC3(CCCCC3)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001340560598 1050947760 /nfs/dbraw/zinc/94/77/60/1050947760.db2.gz ZHDVHTNPSGBVSE-PXNSSMCTSA-N 1 2 373.545 2.926 20 30 FFEDLO N#C[C@]1(F)CCN(c2nnc(C[NH+]3CCCCC3)n2Cc2ccccc2)C1 ZINC001341164909 1051518250 /nfs/dbraw/zinc/51/82/50/1051518250.db2.gz NUMOBJCDFRIXHX-HXUWFJFHSA-N 1 2 368.460 2.754 20 30 FFEDLO Cc1cccc(CCCn2c([C@H]3CCOC3)nnc2N(C)[C@@H](C)CC#N)[nH+]1 ZINC001542645931 1071272983 /nfs/dbraw/zinc/27/29/83/1071272983.db2.gz ZZLFKAHDSKINFF-IRXDYDNUSA-N 1 2 368.485 2.857 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1Cc2ccc(OC)cc2C1 ZINC001343419464 1052219887 /nfs/dbraw/zinc/21/98/87/1052219887.db2.gz NOEOLVRCPQWESC-UHFFFAOYSA-N 1 2 364.453 2.707 20 30 FFEDLO C#CCCCCCCn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC001307301026 1052283143 /nfs/dbraw/zinc/28/31/43/1052283143.db2.gz CIDSIFJNGIYUIK-IBGZPJMESA-N 1 2 353.470 2.830 20 30 FFEDLO C#CCCCCCCn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC001307301026 1052283150 /nfs/dbraw/zinc/28/31/50/1052283150.db2.gz CIDSIFJNGIYUIK-IBGZPJMESA-N 1 2 353.470 2.830 20 30 FFEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Cl)CC1 ZINC001307489754 1052313885 /nfs/dbraw/zinc/31/38/85/1052313885.db2.gz KMACUCCOHHDZOD-INIZCTEOSA-N 1 2 366.889 2.763 20 30 FFEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Cl)CC1 ZINC001307489755 1052313915 /nfs/dbraw/zinc/31/39/15/1052313915.db2.gz KMACUCCOHHDZOD-MRXNPFEDSA-N 1 2 366.889 2.763 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC001345308947 1052378451 /nfs/dbraw/zinc/37/84/51/1052378451.db2.gz TYXXOBBMTXSQST-AEFFLSMTSA-N 1 2 366.465 2.556 20 30 FFEDLO C[C@@H](c1cccc(NC(=O)NCC2(C#N)CCOCC2)c1)[NH+]1CCOCC1 ZINC001345829819 1052632659 /nfs/dbraw/zinc/63/26/59/1052632659.db2.gz MGCXXDNOBICDDR-INIZCTEOSA-N 1 2 372.469 2.522 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](C)CC(C)(C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001345961744 1052686055 /nfs/dbraw/zinc/68/60/55/1052686055.db2.gz LEUFWAKJQHUXEL-GQIGUUNPSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](C)CC(C)(C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001345961744 1052686058 /nfs/dbraw/zinc/68/60/58/1052686058.db2.gz LEUFWAKJQHUXEL-GQIGUUNPSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(CCOC)Cc1ccco1 ZINC001346188356 1052782331 /nfs/dbraw/zinc/78/23/31/1052782331.db2.gz YKTPWBQFIYRLHI-QGZVFWFLSA-N 1 2 359.474 2.867 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(CCOC)Cc1ccco1 ZINC001346188356 1052782334 /nfs/dbraw/zinc/78/23/34/1052782334.db2.gz YKTPWBQFIYRLHI-QGZVFWFLSA-N 1 2 359.474 2.867 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1nnc(C)s1 ZINC001346627323 1053166546 /nfs/dbraw/zinc/16/65/46/1053166546.db2.gz LDYAQUDDTKYIPO-AWEZNQCLSA-N 1 2 361.519 2.807 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)Cc1nnc(C)s1 ZINC001346627323 1053166548 /nfs/dbraw/zinc/16/65/48/1053166548.db2.gz LDYAQUDDTKYIPO-AWEZNQCLSA-N 1 2 361.519 2.807 20 30 FFEDLO CC[C@H](C)[C@@H](OC)C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001346719720 1053255976 /nfs/dbraw/zinc/25/59/76/1053255976.db2.gz DBVMLCUWIVGBQA-MAUKXSAKSA-N 1 2 365.495 2.536 20 30 FFEDLO C=C1CCC(C(=O)NC[C@@H](C2CC2)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001336927226 1054344467 /nfs/dbraw/zinc/34/44/67/1054344467.db2.gz KLANUHUEWFDPBC-LMMKCTJWSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C1CCC(C(=O)NC[C@@H](C2CC2)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001336927226 1054344476 /nfs/dbraw/zinc/34/44/76/1054344476.db2.gz KLANUHUEWFDPBC-LMMKCTJWSA-N 1 2 370.497 2.613 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC001337649820 1054920328 /nfs/dbraw/zinc/92/03/28/1054920328.db2.gz MILLESJBFKSFIS-GFCCVEGCSA-N 1 2 354.834 2.573 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC001337649820 1054920337 /nfs/dbraw/zinc/92/03/37/1054920337.db2.gz MILLESJBFKSFIS-GFCCVEGCSA-N 1 2 354.834 2.573 20 30 FFEDLO CC(C)(COC(=O)CCC(=O)N(CCC#N)c1ccccc1)n1cc[nH+]c1 ZINC001349024648 1055055999 /nfs/dbraw/zinc/05/59/99/1055055999.db2.gz WADJCNNZRAIQTK-UHFFFAOYSA-N 1 2 368.437 2.888 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001351979723 1055098173 /nfs/dbraw/zinc/09/81/73/1055098173.db2.gz ACGCKGGADOBXTC-CRAIPNDOSA-N 1 2 357.437 2.738 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)CCOc1ccccc1C ZINC001352093624 1055187386 /nfs/dbraw/zinc/18/73/86/1055187386.db2.gz NRVFXGKELXRPJU-UHFFFAOYSA-N 1 2 366.469 2.612 20 30 FFEDLO COC(=O)/C=C\c1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)o1 ZINC000848875655 1055282812 /nfs/dbraw/zinc/28/28/12/1055282812.db2.gz CQAFMXXHICYCFC-QJRAZLAKSA-N 1 2 365.433 2.848 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccccc2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001356133596 1055318966 /nfs/dbraw/zinc/31/89/66/1055318966.db2.gz IFVLCIXKXURQSJ-OXFYSEKESA-N 1 2 355.486 2.573 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccccc2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001356133596 1055318984 /nfs/dbraw/zinc/31/89/84/1055318984.db2.gz IFVLCIXKXURQSJ-OXFYSEKESA-N 1 2 355.486 2.573 20 30 FFEDLO N#Cc1c(F)cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC001357166033 1055802171 /nfs/dbraw/zinc/80/21/71/1055802171.db2.gz KAAMDCPBEJIHLT-HXUWFJFHSA-N 1 2 357.404 2.563 20 30 FFEDLO Cc1c[nH+]c2cc(C(=O)NC3CCN(c4ccccc4C#N)CC3)ccn12 ZINC000847526303 1055988118 /nfs/dbraw/zinc/98/81/18/1055988118.db2.gz VXOFTESHJMIAAA-UHFFFAOYSA-N 1 2 359.433 2.913 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cc[nH+]c(NC)c2)c1 ZINC001350917617 1055999401 /nfs/dbraw/zinc/99/94/01/1055999401.db2.gz QONGZNJWBCBAGL-MRXNPFEDSA-N 1 2 353.426 2.804 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc([C@@]2(C)C[C@@H](O)C[N@@H+]2C)n1CC(C)C ZINC001358103927 1056140874 /nfs/dbraw/zinc/14/08/74/1056140874.db2.gz BUMWAELJKDWSBM-MBOZVWFJSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc([C@@]2(C)C[C@@H](O)C[N@H+]2C)n1CC(C)C ZINC001358103927 1056140885 /nfs/dbraw/zinc/14/08/85/1056140885.db2.gz BUMWAELJKDWSBM-MBOZVWFJSA-N 1 2 361.534 2.781 20 30 FFEDLO Cc1c(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cnn1CCC#N ZINC001544309380 1071626292 /nfs/dbraw/zinc/62/62/92/1071626292.db2.gz BRQFSYKNGGHONG-UHFFFAOYSA-N 1 2 368.828 2.874 20 30 FFEDLO C=C(C)CCC(=O)NCC1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001358840850 1056491905 /nfs/dbraw/zinc/49/19/05/1056491905.db2.gz VUSQPBACFXNSEK-HZPDHXFCSA-N 1 2 358.486 2.614 20 30 FFEDLO C=C(C)CCC(=O)NCC1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001358840850 1056491914 /nfs/dbraw/zinc/49/19/14/1056491914.db2.gz VUSQPBACFXNSEK-HZPDHXFCSA-N 1 2 358.486 2.614 20 30 FFEDLO CCN(CCSC)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001339501262 1056520077 /nfs/dbraw/zinc/52/00/77/1056520077.db2.gz PPEMAWWENFBPTR-UHFFFAOYSA-N 1 2 350.536 2.580 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC001339502953 1056521987 /nfs/dbraw/zinc/52/19/87/1056521987.db2.gz XFTUCKWTKJZGSK-DLBZAZTESA-N 1 2 355.490 2.520 20 30 FFEDLO CCn1c(N2CCc3cc[nH+]c(N(C)C)c3C2)nnc1C1(C#N)CCCC1 ZINC001339515738 1056536642 /nfs/dbraw/zinc/53/66/42/1056536642.db2.gz WOCBWKJITWEOLI-UHFFFAOYSA-N 1 2 365.485 2.657 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)C[C@@](C)(O)c1ccccc1 ZINC001339528106 1056549892 /nfs/dbraw/zinc/54/98/92/1056549892.db2.gz CGJIQJUQYIORNG-GHTZIAJQSA-N 1 2 369.513 2.965 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)C[C@@](C)(O)c1ccccc1 ZINC001339528106 1056549902 /nfs/dbraw/zinc/54/99/02/1056549902.db2.gz CGJIQJUQYIORNG-GHTZIAJQSA-N 1 2 369.513 2.965 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N(Cc1cccs1)C(C)C ZINC001339532807 1056554494 /nfs/dbraw/zinc/55/44/94/1056554494.db2.gz ZIDKBGUKQWYUMM-GOEBONIOSA-N 1 2 361.515 2.678 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N(Cc1cccs1)C(C)C ZINC001339532807 1056554503 /nfs/dbraw/zinc/55/45/03/1056554503.db2.gz ZIDKBGUKQWYUMM-GOEBONIOSA-N 1 2 361.515 2.678 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001339568539 1056592916 /nfs/dbraw/zinc/59/29/16/1056592916.db2.gz VDDGMVGTNVRRFV-UHFFFAOYSA-N 1 2 350.470 2.958 20 30 FFEDLO C#CCN(CC)c1nnc(CC2CC2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001359012157 1056656849 /nfs/dbraw/zinc/65/68/49/1056656849.db2.gz AYLQXJLEGOXYGF-QGZVFWFLSA-N 1 2 352.486 2.773 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCC[C@H]2OC)CC1 ZINC001359035178 1056666916 /nfs/dbraw/zinc/66/69/16/1056666916.db2.gz NALZVQFUZHKOLK-RTBURBONSA-N 1 2 371.529 2.506 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 ZINC001359036524 1056668530 /nfs/dbraw/zinc/66/85/30/1056668530.db2.gz YMGDCLBEXYMDRZ-WIYYLYMNSA-N 1 2 373.545 2.580 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 ZINC001359036523 1056668550 /nfs/dbraw/zinc/66/85/50/1056668550.db2.gz YMGDCLBEXYMDRZ-RXVVDRJESA-N 1 2 373.545 2.580 20 30 FFEDLO C[C@H]1CCC[C@H](CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])O1 ZINC000849174620 1056789897 /nfs/dbraw/zinc/78/98/97/1056789897.db2.gz SCMMKLZRLZWWSB-UONOGXRCSA-N 1 2 354.454 2.604 20 30 FFEDLO N#CC1CCN(c2nnc(C[NH+]3CCCC3)n2CCc2ccccc2)CC1 ZINC001354476125 1059049217 /nfs/dbraw/zinc/04/92/17/1059049217.db2.gz YZDPHXOVKZKWET-UHFFFAOYSA-N 1 2 364.497 2.857 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CCCCC)CC1 ZINC001300692511 1059364409 /nfs/dbraw/zinc/36/44/09/1059364409.db2.gz IDTYUEFACOUPCZ-UHFFFAOYSA-N 1 2 367.497 2.899 20 30 FFEDLO CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC001546063055 1059553173 /nfs/dbraw/zinc/55/31/73/1059553173.db2.gz DREAHCNMXIGEPF-HNNXBMFYSA-N 1 2 360.458 2.701 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2CCCOCC2CC2)CC1 ZINC001507731552 1059702042 /nfs/dbraw/zinc/70/20/42/1059702042.db2.gz LLHYIEOPBVXJRM-UHFFFAOYSA-N 1 2 371.529 2.508 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CCc2ccc(CC)cc2)CC1 ZINC001507723340 1059702153 /nfs/dbraw/zinc/70/21/53/1059702153.db2.gz DSIBFPQWQXQEKP-UHFFFAOYSA-N 1 2 363.509 2.716 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCCC)CC1 ZINC001507727857 1059702455 /nfs/dbraw/zinc/70/24/55/1059702455.db2.gz NCHUGINXXZYHRH-UHFFFAOYSA-N 1 2 351.498 2.619 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCS2)CC1 ZINC001507722889 1059703255 /nfs/dbraw/zinc/70/32/55/1059703255.db2.gz MYLJZQLQJZGFBP-SFHVURJKSA-N 1 2 367.522 2.596 20 30 FFEDLO CCCCCCCC[C@H](C)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001455698177 1059877871 /nfs/dbraw/zinc/87/78/71/1059877871.db2.gz PNXHNJJGARIEJM-SFHVURJKSA-N 1 2 353.551 2.996 20 30 FFEDLO CCCCCCCC[C@H](C)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001455698177 1059877893 /nfs/dbraw/zinc/87/78/93/1059877893.db2.gz PNXHNJJGARIEJM-SFHVURJKSA-N 1 2 353.551 2.996 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001510144584 1060181605 /nfs/dbraw/zinc/18/16/05/1060181605.db2.gz WODUOHFZHFHOKH-JXXFODFXSA-N 1 2 358.486 2.565 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001510144584 1060181610 /nfs/dbraw/zinc/18/16/10/1060181610.db2.gz WODUOHFZHFHOKH-JXXFODFXSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001511329514 1060328700 /nfs/dbraw/zinc/32/87/00/1060328700.db2.gz ZNYHMVJWSRDRKW-BONWFUQQSA-N 1 2 370.497 2.755 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001511329514 1060328719 /nfs/dbraw/zinc/32/87/19/1060328719.db2.gz ZNYHMVJWSRDRKW-BONWFUQQSA-N 1 2 370.497 2.755 20 30 FFEDLO Cc1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001511769578 1060401039 /nfs/dbraw/zinc/40/10/39/1060401039.db2.gz UWYMCVIBXDLSRQ-ZDUSSCGKSA-N 1 2 353.405 2.698 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N(CC1CC1)C1CCCCC1 ZINC001355920711 1060729572 /nfs/dbraw/zinc/72/95/72/1060729572.db2.gz WNLPJNSKVNTDDY-ZWKOTPCHSA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N(CC1CC1)C1CCCCC1 ZINC001355920711 1060729586 /nfs/dbraw/zinc/72/95/86/1060729586.db2.gz WNLPJNSKVNTDDY-ZWKOTPCHSA-N 1 2 359.518 2.751 20 30 FFEDLO C=C(C)Cn1c(N2CCC3(CCCC3)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001355946830 1060752880 /nfs/dbraw/zinc/75/28/80/1060752880.db2.gz HYCBNMCVLGVZBL-QFBILLFUSA-N 1 2 359.518 2.536 20 30 FFEDLO C=C(C)Cn1c(N2CCC3(CCCC3)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001355946830 1060752893 /nfs/dbraw/zinc/75/28/93/1060752893.db2.gz HYCBNMCVLGVZBL-QFBILLFUSA-N 1 2 359.518 2.536 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1Cc2ccc(C#N)cc2C1 ZINC001355978520 1060777330 /nfs/dbraw/zinc/77/73/30/1060777330.db2.gz XLQNWDIXKLKNKF-UHFFFAOYSA-N 1 2 359.437 2.570 20 30 FFEDLO C[NH+](C)Cc1csc(CNC(=O)Nc2ncccc2OCCCC#N)n1 ZINC001476447542 1061415127 /nfs/dbraw/zinc/41/51/27/1061415127.db2.gz BFKSWRJQEVRCSG-UHFFFAOYSA-N 1 2 374.470 2.604 20 30 FFEDLO N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC001476898188 1061502974 /nfs/dbraw/zinc/50/29/74/1061502974.db2.gz XWWNTLRLYTXERP-UHFFFAOYSA-N 1 2 364.384 2.699 20 30 FFEDLO C[NH+](C)Cc1csc(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)n1 ZINC001462816847 1061790316 /nfs/dbraw/zinc/79/03/16/1061790316.db2.gz HVLFBLOKXFFYRW-UHFFFAOYSA-N 1 2 367.434 2.661 20 30 FFEDLO C#C[C@@H](NC(=O)N[C@@H](CC)C[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC001478902083 1062147480 /nfs/dbraw/zinc/14/74/80/1062147480.db2.gz XRDUGZMSYGEHQJ-WMLDXEAASA-N 1 2 367.852 2.563 20 30 FFEDLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)CNc2ccc(C#N)cn2)C1 ZINC001529293265 1062254490 /nfs/dbraw/zinc/25/44/90/1062254490.db2.gz CXDUYAVBMGWLER-MRXNPFEDSA-N 1 2 366.469 2.723 20 30 FFEDLO C=CCNC(=O)c1ccccc1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC001463905170 1062321950 /nfs/dbraw/zinc/32/19/50/1062321950.db2.gz CYQBXSXEODHSRW-AWEZNQCLSA-N 1 2 366.343 2.931 20 30 FFEDLO C#CCCCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(CC(C)C)no1 ZINC001479560089 1062542467 /nfs/dbraw/zinc/54/24/67/1062542467.db2.gz FRASOFRHDUXBBX-SJORKVTESA-N 1 2 360.502 2.788 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC(C)(C)CC1 ZINC001524129061 1062731175 /nfs/dbraw/zinc/73/11/75/1062731175.db2.gz PFSYQDGVXDKXGW-UHFFFAOYSA-N 1 2 361.534 2.685 20 30 FFEDLO CCc1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001546408930 1062784581 /nfs/dbraw/zinc/78/45/81/1062784581.db2.gz SMHLILUNFCYAKW-OAHLLOKOSA-N 1 2 353.474 2.622 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(CCC#N)CC1CC1 ZINC001524367910 1062814880 /nfs/dbraw/zinc/81/48/80/1062814880.db2.gz GRNSZCRWQLZAGV-SFHVURJKSA-N 1 2 372.517 2.766 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CCC#N)CC1CC1 ZINC001524367910 1062814895 /nfs/dbraw/zinc/81/48/95/1062814895.db2.gz GRNSZCRWQLZAGV-SFHVURJKSA-N 1 2 372.517 2.766 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2cccc(F)c2)[C@@H]1C ZINC001479716124 1062896440 /nfs/dbraw/zinc/89/64/40/1062896440.db2.gz SCYPZFYOEPTEBZ-QAPCUYQASA-N 1 2 359.445 2.537 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2cccc(F)c2)[C@@H]1C ZINC001479716124 1062896456 /nfs/dbraw/zinc/89/64/56/1062896456.db2.gz SCYPZFYOEPTEBZ-QAPCUYQASA-N 1 2 359.445 2.537 20 30 FFEDLO C=CCC(C)(C)CNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001468934634 1064061483 /nfs/dbraw/zinc/06/14/83/1064061483.db2.gz MEFWQSFSVYBAEW-LJQANCHMSA-N 1 2 359.514 2.831 20 30 FFEDLO C=C[C@H](C)ONC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001470680742 1064410939 /nfs/dbraw/zinc/41/09/39/1064410939.db2.gz XGEFVTZJTJWREL-ZDUSSCGKSA-N 1 2 373.375 2.919 20 30 FFEDLO CCCC[C@H](ON=C(C)C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC001471048427 1064538781 /nfs/dbraw/zinc/53/87/81/1064538781.db2.gz LMWNJMFONXSROL-KRWDZBQOSA-N 1 2 361.490 2.743 20 30 FFEDLO C=C(Cl)C[NH+]1CCC(N(Cc2cn[nH]n2)C(=O)[C@H](C)CCC)CC1 ZINC001575059339 1078101692 /nfs/dbraw/zinc/10/16/92/1078101692.db2.gz LHVQGRYJDMDOPM-CYBMUJFWSA-N 1 2 353.898 2.786 20 30 FFEDLO C=C[C@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2c[nH]nn2)C1)c1ccccc1 ZINC001575073100 1078103430 /nfs/dbraw/zinc/10/34/30/1078103430.db2.gz JTGYBOBFFWNDPY-LZLYRXPVSA-N 1 2 353.470 2.539 20 30 FFEDLO C=C[C@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cn[nH]n2)C1)c1ccccc1 ZINC001575073100 1078103432 /nfs/dbraw/zinc/10/34/32/1078103432.db2.gz JTGYBOBFFWNDPY-LZLYRXPVSA-N 1 2 353.470 2.539 20 30 FFEDLO C=CCC[C@H](C)[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H](F)CC)CC1 ZINC001575087496 1078104404 /nfs/dbraw/zinc/10/44/04/1078104404.db2.gz IHQNVKVTVDJUON-YOEHRIQHSA-N 1 2 351.470 2.701 20 30 FFEDLO C=CCCC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H](C)n2cccc2)CC1 ZINC001575092890 1078105491 /nfs/dbraw/zinc/10/54/91/1078105491.db2.gz ASMAXJDFWUDXFD-QGZVFWFLSA-N 1 2 370.501 2.627 20 30 FFEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCCN(C)c1cccc[nH+]1 ZINC001471491008 1064694046 /nfs/dbraw/zinc/69/40/46/1064694046.db2.gz NWDGEOWROXAZCE-UHFFFAOYSA-N 1 2 363.421 2.902 20 30 FFEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCCN(C)c1cccc[nH+]1 ZINC001471491325 1064694181 /nfs/dbraw/zinc/69/41/81/1064694181.db2.gz UGTCKHMVQPJVSQ-FQEVSTJZSA-N 1 2 366.465 2.999 20 30 FFEDLO C=CCC1(C(=O)N[C@H](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001580386307 1078795176 /nfs/dbraw/zinc/79/51/76/1078795176.db2.gz HCELMVNRSKRAOI-BZUAXINKSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCC1(C(=O)N[C@H](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001580386307 1078795181 /nfs/dbraw/zinc/79/51/81/1078795181.db2.gz HCELMVNRSKRAOI-BZUAXINKSA-N 1 2 358.486 2.661 20 30 FFEDLO N#Cc1cccc2c1CCN2C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001584286812 1079333494 /nfs/dbraw/zinc/33/34/94/1079333494.db2.gz OGVKRPVNWLQOGW-UHFFFAOYSA-N 1 2 359.345 2.855 20 30 FFEDLO C=C(C)c1cccc(NC(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)c1 ZINC001553122131 1075233575 /nfs/dbraw/zinc/23/35/75/1075233575.db2.gz DWFIWTHUKHEDPN-MAUKXSAKSA-N 1 2 353.426 2.595 20 30 FFEDLO C=CC[N@@H+](C)CCN(CC)S(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC001561733858 1076414721 /nfs/dbraw/zinc/41/47/21/1076414721.db2.gz BMKPAIYJEMMLBU-UHFFFAOYSA-N 1 2 366.405 2.539 20 30 FFEDLO C=CC[N@H+](C)CCN(CC)S(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC001561733858 1076414723 /nfs/dbraw/zinc/41/47/23/1076414723.db2.gz BMKPAIYJEMMLBU-UHFFFAOYSA-N 1 2 366.405 2.539 20 30 FFEDLO Cc1ccccc1[C@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)CC[NH2+]1 ZINC001562038780 1076472630 /nfs/dbraw/zinc/47/26/30/1076472630.db2.gz QENCUFLZLVKPND-HXUWFJFHSA-N 1 2 369.490 2.537 20 30 FFEDLO Cc1cnn([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)c1 ZINC000106221886 250260352 /nfs/dbraw/zinc/26/03/52/250260352.db2.gz FTWHWPMVTISKKF-HOCLYGCPSA-N 1 2 355.442 2.937 20 30 FFEDLO Cc1cnn([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)c1 ZINC000106221886 250260354 /nfs/dbraw/zinc/26/03/54/250260354.db2.gz FTWHWPMVTISKKF-HOCLYGCPSA-N 1 2 355.442 2.937 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277634445 256220035 /nfs/dbraw/zinc/22/00/35/256220035.db2.gz BOQBSGJPFZHBTO-OSAQELSMSA-N 1 2 355.360 2.520 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277634445 256220037 /nfs/dbraw/zinc/22/00/37/256220037.db2.gz BOQBSGJPFZHBTO-OSAQELSMSA-N 1 2 355.360 2.520 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(c2nc3cc(Cl)ccn3c2C#N)CC1 ZINC000286145689 257022275 /nfs/dbraw/zinc/02/22/75/257022275.db2.gz NTNMCEIRHRPVJK-UHFFFAOYSA-N 1 2 370.844 2.786 20 30 FFEDLO N#Cc1ccc(N2CCC([NH2+]c3ccc(OCC(N)=O)cc3)CC2)cc1 ZINC000286170598 257023731 /nfs/dbraw/zinc/02/37/31/257023731.db2.gz PVTYZPLPHFIEPE-UHFFFAOYSA-N 1 2 350.422 2.503 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000287795456 257113653 /nfs/dbraw/zinc/11/36/53/257113653.db2.gz OFXROSNGAXCUIV-UHFFFAOYSA-N 1 2 365.271 2.950 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000287795456 257113654 /nfs/dbraw/zinc/11/36/54/257113654.db2.gz OFXROSNGAXCUIV-UHFFFAOYSA-N 1 2 365.271 2.950 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc(C#N)c(F)c3)c[nH+]2)CCO1 ZINC000290150222 257317463 /nfs/dbraw/zinc/31/74/63/257317463.db2.gz LFEPNTKCWNSTJM-CYBMUJFWSA-N 1 2 369.400 2.639 20 30 FFEDLO N#Cc1cc(Cl)ccc1N1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000301182340 258031950 /nfs/dbraw/zinc/03/19/50/258031950.db2.gz IEKTWERXMMQYBR-UHFFFAOYSA-N 1 2 354.841 2.972 20 30 FFEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)C1 ZINC000301390296 258047024 /nfs/dbraw/zinc/04/70/24/258047024.db2.gz GDXLGFDLQBJYLQ-CRAIPNDOSA-N 1 2 358.461 2.514 20 30 FFEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3nccn3C)sc2C1 ZINC000299695265 258017470 /nfs/dbraw/zinc/01/74/70/258017470.db2.gz OGVYRYVZEMRIMU-CYBMUJFWSA-N 1 2 371.510 2.939 20 30 FFEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3nccn3C)sc2C1 ZINC000299695265 258017471 /nfs/dbraw/zinc/01/74/71/258017471.db2.gz OGVYRYVZEMRIMU-CYBMUJFWSA-N 1 2 371.510 2.939 20 30 FFEDLO N#Cc1ccc([N+](=O)[O-])c(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000302226160 258096569 /nfs/dbraw/zinc/09/65/69/258096569.db2.gz VXZQLVJZXDLMKB-LJQANCHMSA-N 1 2 352.394 2.952 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3cc(C#N)ccc3F)CC2)C1 ZINC000331940025 258207098 /nfs/dbraw/zinc/20/70/98/258207098.db2.gz GKFSTXPQTVODCU-APWZRJJASA-N 1 2 372.488 2.510 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@H](O)[C@H](C)C2)c1C#N ZINC000331621166 258193789 /nfs/dbraw/zinc/19/37/89/258193789.db2.gz ORVGFPXDJOWFDJ-ACJLOTCBSA-N 1 2 358.486 2.733 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@H](O)[C@H](C)C2)c1C#N ZINC000331621166 258193790 /nfs/dbraw/zinc/19/37/90/258193790.db2.gz ORVGFPXDJOWFDJ-ACJLOTCBSA-N 1 2 358.486 2.733 20 30 FFEDLO N#Cc1ccc(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1Br ZINC000377843664 512479276 /nfs/dbraw/zinc/47/92/76/512479276.db2.gz QPRZIYPZEMTOJP-NSHDSACASA-N 1 2 360.215 2.723 20 30 FFEDLO N#Cc1ccc(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1Br ZINC000377843664 512479282 /nfs/dbraw/zinc/47/92/82/512479282.db2.gz QPRZIYPZEMTOJP-NSHDSACASA-N 1 2 360.215 2.723 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Br)s1 ZINC000081158129 508142024 /nfs/dbraw/zinc/14/20/24/508142024.db2.gz IKTGHJUYBCJYPM-UHFFFAOYSA-N 1 2 358.305 2.558 20 30 FFEDLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801469 506253615 /nfs/dbraw/zinc/25/36/15/506253615.db2.gz AFCXQDHKEMKVPM-KRWDZBQOSA-N 1 2 373.464 2.807 20 30 FFEDLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801469 506253619 /nfs/dbraw/zinc/25/36/19/506253619.db2.gz AFCXQDHKEMKVPM-KRWDZBQOSA-N 1 2 373.464 2.807 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000032541512 506264563 /nfs/dbraw/zinc/26/45/63/506264563.db2.gz KRXOENIRSSLCDF-UHFFFAOYSA-N 1 2 368.868 2.968 20 30 FFEDLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000052909124 506274401 /nfs/dbraw/zinc/27/44/01/506274401.db2.gz DYLISTYYCUPUSU-UHFFFAOYSA-N 1 2 364.471 2.547 20 30 FFEDLO CCOc1ccccc1N1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000032830935 506301932 /nfs/dbraw/zinc/30/19/32/506301932.db2.gz ZFRLILMLAYSSHZ-DYESRHJHSA-N 1 2 372.513 2.650 20 30 FFEDLO N#CCC1(CNC(=O)C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CC1 ZINC000366765090 512176558 /nfs/dbraw/zinc/17/65/58/512176558.db2.gz IWOZUZPIWAPFDI-UHFFFAOYSA-N 1 2 365.437 2.511 20 30 FFEDLO CN(CCC#N)c1ccc(C[N@@H+]2CCNC(=O)[C@@H]2c2cccs2)cc1 ZINC000377246010 512183482 /nfs/dbraw/zinc/18/34/82/512183482.db2.gz QNVJDBSPGQZAAC-SFHVURJKSA-N 1 2 354.479 2.771 20 30 FFEDLO CN(CCC#N)c1ccc(C[N@H+]2CCNC(=O)[C@@H]2c2cccs2)cc1 ZINC000377246010 512183484 /nfs/dbraw/zinc/18/34/84/512183484.db2.gz QNVJDBSPGQZAAC-SFHVURJKSA-N 1 2 354.479 2.771 20 30 FFEDLO COc1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc2c1OCCO2 ZINC000377251312 512185852 /nfs/dbraw/zinc/18/58/52/512185852.db2.gz PXKCJEKCHBMLJC-HXUWFJFHSA-N 1 2 366.417 2.912 20 30 FFEDLO COc1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc2c1OCCO2 ZINC000377251312 512185855 /nfs/dbraw/zinc/18/58/55/512185855.db2.gz PXKCJEKCHBMLJC-HXUWFJFHSA-N 1 2 366.417 2.912 20 30 FFEDLO N#Cc1ccc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c(Br)c1 ZINC000369081187 512219545 /nfs/dbraw/zinc/21/95/45/512219545.db2.gz ASYMTHKUJDFDGZ-HNNXBMFYSA-N 1 2 361.243 2.994 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Br)ccc2OC)C1=O ZINC000410312956 512237711 /nfs/dbraw/zinc/23/77/11/512237711.db2.gz ICEDYQCQLQEEOD-AWEZNQCLSA-N 1 2 353.260 2.676 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(Br)ccc2OC)C1=O ZINC000410312956 512237714 /nfs/dbraw/zinc/23/77/14/512237714.db2.gz ICEDYQCQLQEEOD-AWEZNQCLSA-N 1 2 353.260 2.676 20 30 FFEDLO C=CCN1CC[C@H]([NH+]2CCN([C@H](CC)c3ccc(F)cc3F)CC2)C1=O ZINC000410379131 512249078 /nfs/dbraw/zinc/24/90/78/512249078.db2.gz FBTYURLXWJLAOE-MOPGFXCFSA-N 1 2 363.452 2.820 20 30 FFEDLO Cc1cn2c([nH+]1)CN(CC(=O)Nc1sc3c(c1C#N)CCCCC3)CC2 ZINC000373317605 512271957 /nfs/dbraw/zinc/27/19/57/512271957.db2.gz NFRRNVFACZQOEV-UHFFFAOYSA-N 1 2 369.494 2.848 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(F)(c3cccnc3)CC2)c1 ZINC000375350718 512281404 /nfs/dbraw/zinc/28/14/04/512281404.db2.gz YNJFDSFODOUGNV-UHFFFAOYSA-N 1 2 373.453 2.688 20 30 FFEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(Cc3ccc(F)cc3C#N)CC2)C1 ZINC000066566478 506557580 /nfs/dbraw/zinc/55/75/80/506557580.db2.gz AIPSVFJCWCUNIM-OXJNMPFZSA-N 1 2 372.488 2.510 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccc(Br)s1 ZINC000008165494 506628171 /nfs/dbraw/zinc/62/81/71/506628171.db2.gz KZBMWKWRZZMZNH-AWEZNQCLSA-N 1 2 358.305 2.997 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccc(Br)s1 ZINC000008165494 506628174 /nfs/dbraw/zinc/62/81/74/506628174.db2.gz KZBMWKWRZZMZNH-AWEZNQCLSA-N 1 2 358.305 2.997 20 30 FFEDLO C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1 ZINC000010896693 506758620 /nfs/dbraw/zinc/75/86/20/506758620.db2.gz VRSWFHQQAUKTOT-UHFFFAOYSA-N 1 2 370.434 2.588 20 30 FFEDLO C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3[nH+]c(C)[nH]c3c2)cc1 ZINC000010896693 506758624 /nfs/dbraw/zinc/75/86/24/506758624.db2.gz VRSWFHQQAUKTOT-UHFFFAOYSA-N 1 2 370.434 2.588 20 30 FFEDLO C#CC[NH+]1CCC(C(=O)Nc2ccccc2-c2nnc(C(C)C)[nH]2)CC1 ZINC000067214399 506794984 /nfs/dbraw/zinc/79/49/84/506794984.db2.gz CAADPTOCSCZICO-UHFFFAOYSA-N 1 2 351.454 2.879 20 30 FFEDLO C[C@H](NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1cccs1 ZINC000367063919 512320345 /nfs/dbraw/zinc/32/03/45/512320345.db2.gz APXDHYGEPGYSCQ-HNNXBMFYSA-N 1 2 354.479 2.878 20 30 FFEDLO N#Cc1ccc(CSCC(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000068253132 507160817 /nfs/dbraw/zinc/16/08/17/507160817.db2.gz GKLURNSYHHMYMN-UHFFFAOYSA-N 1 2 351.475 2.923 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000047031362 507253889 /nfs/dbraw/zinc/25/38/89/507253889.db2.gz YHVFEUILKFAUSO-KRWDZBQOSA-N 1 2 359.451 2.657 20 30 FFEDLO N#CC1(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCCCC1 ZINC000057431099 507262400 /nfs/dbraw/zinc/26/24/00/507262400.db2.gz CWHSRNDSTVUWED-UHFFFAOYSA-N 1 2 358.461 2.538 20 30 FFEDLO COc1ccc([C@@H](C/N=C/c2cccc(O)c2O)[NH+]2CCOCC2)cc1 ZINC000022728689 507305835 /nfs/dbraw/zinc/30/58/35/507305835.db2.gz MXECHNAMILETEU-KOMLCTQHSA-N 1 2 356.422 2.599 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000057756524 507322200 /nfs/dbraw/zinc/32/22/00/507322200.db2.gz ZNSFDAHFERSAMR-LBPRGKRZSA-N 1 2 366.343 2.743 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H]1C ZINC000023257787 507343478 /nfs/dbraw/zinc/34/34/78/507343478.db2.gz ULMYJDMLCQFVRG-OPYAIIAOSA-N 1 2 368.525 2.617 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000069036907 507385940 /nfs/dbraw/zinc/38/59/40/507385940.db2.gz ZJQFARFMLQLQQN-DNVCBOLYSA-N 1 2 362.905 2.905 20 30 FFEDLO N#Cc1ccc(CSCC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000047797082 507396118 /nfs/dbraw/zinc/39/61/18/507396118.db2.gz DTJFWGWWKIKQAK-UHFFFAOYSA-N 1 2 366.490 2.531 20 30 FFEDLO CCN(C(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1)C1CCCCC1 ZINC000047859705 507401012 /nfs/dbraw/zinc/40/10/12/507401012.db2.gz ZDHYRMNZLLZUMW-KRWDZBQOSA-N 1 2 369.513 2.645 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc(CC#N)cc3)c[nH+]2)CCO1 ZINC000058535459 507434761 /nfs/dbraw/zinc/43/47/61/507434761.db2.gz XJOFMTGHHKQUOI-OAHLLOKOSA-N 1 2 365.437 2.694 20 30 FFEDLO N#Cc1cccc(NC(=O)CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000025407712 507499229 /nfs/dbraw/zinc/49/92/29/507499229.db2.gz QXWURKHIYZCDIR-UHFFFAOYSA-N 1 2 368.868 2.968 20 30 FFEDLO CCOC(=O)C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000060356145 507529017 /nfs/dbraw/zinc/52/90/17/507529017.db2.gz SORYIMMQUDHJNM-UHFFFAOYSA-N 1 2 365.433 2.952 20 30 FFEDLO CCOC(=O)C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000060356145 507529023 /nfs/dbraw/zinc/52/90/23/507529023.db2.gz SORYIMMQUDHJNM-UHFFFAOYSA-N 1 2 365.433 2.952 20 30 FFEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000026199006 507566187 /nfs/dbraw/zinc/56/61/87/507566187.db2.gz XEXFFNUHCBERNW-YOEHRIQHSA-N 1 2 368.399 2.672 20 30 FFEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000026199006 507566194 /nfs/dbraw/zinc/56/61/94/507566194.db2.gz XEXFFNUHCBERNW-YOEHRIQHSA-N 1 2 368.399 2.672 20 30 FFEDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000026349250 507581470 /nfs/dbraw/zinc/58/14/70/507581470.db2.gz JYRJWOIKMAKLSC-GOSISDBHSA-N 1 2 350.378 2.704 20 30 FFEDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000026349250 507581476 /nfs/dbraw/zinc/58/14/76/507581476.db2.gz JYRJWOIKMAKLSC-GOSISDBHSA-N 1 2 350.378 2.704 20 30 FFEDLO C[C@@H](C(=O)NC1CCC(C)CC1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000026467845 507592491 /nfs/dbraw/zinc/59/24/91/507592491.db2.gz GGWLAELCVFGSJM-WBTXTPOCSA-N 1 2 368.525 2.759 20 30 FFEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000026467845 507592500 /nfs/dbraw/zinc/59/25/00/507592500.db2.gz GGWLAELCVFGSJM-WBTXTPOCSA-N 1 2 368.525 2.759 20 30 FFEDLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1cccc(C#N)c1 ZINC000070981227 507672839 /nfs/dbraw/zinc/67/28/39/507672839.db2.gz JYZROOKNZVCVQI-UHFFFAOYSA-N 1 2 368.412 2.985 20 30 FFEDLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1cccc(C#N)c1 ZINC000070981227 507672846 /nfs/dbraw/zinc/67/28/46/507672846.db2.gz JYZROOKNZVCVQI-UHFFFAOYSA-N 1 2 368.412 2.985 20 30 FFEDLO N#Cc1ccc(CCC(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000028319402 507719533 /nfs/dbraw/zinc/71/95/33/507719533.db2.gz UKYWMSXGFULLEC-UHFFFAOYSA-N 1 2 363.461 2.714 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1cccc(C(C)=O)c1)Cc1ccc(C#N)cc1 ZINC000063754543 507768456 /nfs/dbraw/zinc/76/84/56/507768456.db2.gz BWANBIKDZQEYRP-UHFFFAOYSA-N 1 2 365.433 2.848 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1cccc(C(C)=O)c1)Cc1ccc(C#N)cc1 ZINC000063754543 507768457 /nfs/dbraw/zinc/76/84/57/507768457.db2.gz BWANBIKDZQEYRP-UHFFFAOYSA-N 1 2 365.433 2.848 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000029785481 507790766 /nfs/dbraw/zinc/79/07/66/507790766.db2.gz GLFZEXVLTWSMCG-HNNXBMFYSA-N 1 2 350.422 2.637 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000064353146 507792474 /nfs/dbraw/zinc/79/24/74/507792474.db2.gz HTDHUOGNKPWHMX-UHFFFAOYSA-N 1 2 373.453 2.594 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000064353146 507792475 /nfs/dbraw/zinc/79/24/75/507792475.db2.gz HTDHUOGNKPWHMX-UHFFFAOYSA-N 1 2 373.453 2.594 20 30 FFEDLO C[C@H](NC(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1)c1ccccc1 ZINC000029856324 507793356 /nfs/dbraw/zinc/79/33/56/507793356.db2.gz KRENTBFOGIMLPD-INIZCTEOSA-N 1 2 366.440 2.697 20 30 FFEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029859904 507793590 /nfs/dbraw/zinc/79/35/90/507793590.db2.gz BEPLDBKCZLJRFO-CGZBRXJRSA-N 1 2 372.488 2.903 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccco1 ZINC000072561168 507824862 /nfs/dbraw/zinc/82/48/62/507824862.db2.gz VYWGMTCWDFSSFF-UHFFFAOYSA-N 1 2 359.451 2.982 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccco1 ZINC000072561168 507824864 /nfs/dbraw/zinc/82/48/64/507824864.db2.gz VYWGMTCWDFSSFF-UHFFFAOYSA-N 1 2 359.451 2.982 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000369350846 512364256 /nfs/dbraw/zinc/36/42/56/512364256.db2.gz XHNHCEFGSWVGLB-LBPRGKRZSA-N 1 2 364.858 2.513 20 30 FFEDLO CCCOc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(C)c1 ZINC000078502606 507878093 /nfs/dbraw/zinc/87/80/93/507878093.db2.gz HZEWMNVZIRTISG-UHFFFAOYSA-N 1 2 374.485 2.864 20 30 FFEDLO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000078616268 507889550 /nfs/dbraw/zinc/88/95/50/507889550.db2.gz MBYCGSDDEFJCSF-NHCUHLMSSA-N 1 2 362.477 2.698 20 30 FFEDLO CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000078655416 507894043 /nfs/dbraw/zinc/89/40/43/507894043.db2.gz OAZWZOJMQBRZLW-MRXNPFEDSA-N 1 2 363.465 2.665 20 30 FFEDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ncccc3C#N)CC2)c(C)c1 ZINC000073108728 507894818 /nfs/dbraw/zinc/89/48/18/507894818.db2.gz IWKXHLLRTLIEIZ-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO C=CC[N@H+](CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000108446535 507894984 /nfs/dbraw/zinc/89/49/84/507894984.db2.gz VHFAVIXKEHXMGR-UHFFFAOYSA-N 1 2 356.397 2.859 20 30 FFEDLO C=CC[N@@H+](CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000108446535 507894986 /nfs/dbraw/zinc/89/49/86/507894986.db2.gz VHFAVIXKEHXMGR-UHFFFAOYSA-N 1 2 356.397 2.859 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1C#N ZINC000091072173 507949746 /nfs/dbraw/zinc/94/97/46/507949746.db2.gz GQZXXCAPBPIPIW-PKOBYXMFSA-N 1 2 354.479 2.759 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1C#N ZINC000091072173 507949748 /nfs/dbraw/zinc/94/97/48/507949748.db2.gz GQZXXCAPBPIPIW-PKOBYXMFSA-N 1 2 354.479 2.759 20 30 FFEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)/C(=N/OC)c1ccco1 ZINC000074188540 507996224 /nfs/dbraw/zinc/99/62/24/507996224.db2.gz LUCMPNRSNUSWOF-ZBJSNUHESA-N 1 2 370.453 2.790 20 30 FFEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccncc1 ZINC000074438956 508022968 /nfs/dbraw/zinc/02/29/68/508022968.db2.gz NFMJOJJNPQIPJH-FQEVSTJZSA-N 1 2 363.465 2.932 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NCCC[NH+](C(C)C)C(C)C)cc1C#N ZINC000074828820 508058788 /nfs/dbraw/zinc/05/87/88/508058788.db2.gz OZVWQIIPNWQPRG-UHFFFAOYSA-N 1 2 350.488 2.619 20 30 FFEDLO COCC[N@H+](CC(=O)NCc1cccc(C)c1)Cc1ccc(C#N)cc1 ZINC000111208784 508078109 /nfs/dbraw/zinc/07/81/09/508078109.db2.gz MGTVXCAVCSXNKS-UHFFFAOYSA-N 1 2 351.450 2.632 20 30 FFEDLO COCC[N@@H+](CC(=O)NCc1cccc(C)c1)Cc1ccc(C#N)cc1 ZINC000111208784 508078110 /nfs/dbraw/zinc/07/81/10/508078110.db2.gz MGTVXCAVCSXNKS-UHFFFAOYSA-N 1 2 351.450 2.632 20 30 FFEDLO C[C@H](O)C1CC[NH+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000111284984 508085756 /nfs/dbraw/zinc/08/57/56/508085756.db2.gz BKETZKFUPJJMOV-ZDUSSCGKSA-N 1 2 361.511 2.920 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC(=O)NCCC2=CCCCC2)CC1 ZINC000080907160 508110753 /nfs/dbraw/zinc/11/07/53/508110753.db2.gz NJWIKNCJMAAEJU-OAQYLSRUSA-N 1 2 366.509 2.876 20 30 FFEDLO CC(C)CO[C@@H](C)c1noc(CN(C)Cc2c[nH+]c3ccc(C#N)cn23)n1 ZINC000093885703 508158729 /nfs/dbraw/zinc/15/87/29/508158729.db2.gz YQQCCFFYWOQYNI-AWEZNQCLSA-N 1 2 368.441 2.955 20 30 FFEDLO CCc1ccc([C@@H]2COCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)o1 ZINC000077176631 508284051 /nfs/dbraw/zinc/28/40/51/508284051.db2.gz XVHDMAVHLCJKFN-PXNSSMCTSA-N 1 2 370.449 2.721 20 30 FFEDLO CCc1ccc([C@@H]2COCC[N@H+]2C[C@H](O)COc2ccc(CC#N)cc2)o1 ZINC000077176631 508284053 /nfs/dbraw/zinc/28/40/53/508284053.db2.gz XVHDMAVHLCJKFN-PXNSSMCTSA-N 1 2 370.449 2.721 20 30 FFEDLO Cc1noc(C2CC[NH+](CC(=O)Nc3ccccc3SCC#N)CC2)n1 ZINC000103469435 508314244 /nfs/dbraw/zinc/31/42/44/508314244.db2.gz BCSNSWXZFVQDHC-UHFFFAOYSA-N 1 2 371.466 2.812 20 30 FFEDLO N#Cc1cc(NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)ccc1F ZINC000077498277 508323892 /nfs/dbraw/zinc/32/38/92/508323892.db2.gz PHUIHIQFMIOPLD-LJQANCHMSA-N 1 2 368.412 2.892 20 30 FFEDLO COCCCOc1cc(C)ccc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000088558356 508376497 /nfs/dbraw/zinc/37/64/97/508376497.db2.gz HGULPZHYMYJDKA-FQEVSTJZSA-N 1 2 367.449 2.598 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115570324 508411323 /nfs/dbraw/zinc/41/13/23/508411323.db2.gz UGVGFOSPEYAQNO-HGHGUNKESA-N 1 2 370.497 2.557 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115570324 508411327 /nfs/dbraw/zinc/41/13/27/508411327.db2.gz UGVGFOSPEYAQNO-HGHGUNKESA-N 1 2 370.497 2.557 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)COc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127249305 508421317 /nfs/dbraw/zinc/42/13/17/508421317.db2.gz LXUOSWYYOXHVCJ-ICSRJNTNSA-N 1 2 371.387 2.777 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)COc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127249305 508421319 /nfs/dbraw/zinc/42/13/19/508421319.db2.gz LXUOSWYYOXHVCJ-ICSRJNTNSA-N 1 2 371.387 2.777 20 30 FFEDLO C[NH+](C)[C@H](CNC(=O)NCc1cccc(C#N)c1)c1c(F)cccc1F ZINC000115795803 508438282 /nfs/dbraw/zinc/43/82/82/508438282.db2.gz GLODYGFNHZFWFR-QGZVFWFLSA-N 1 2 358.392 2.939 20 30 FFEDLO COc1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1OCCCC#N ZINC000377690683 512400770 /nfs/dbraw/zinc/40/07/70/512400770.db2.gz DNMVSSBMJSJDKW-ZWKOTPCHSA-N 1 2 360.454 2.758 20 30 FFEDLO COc1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1OCCCC#N ZINC000377690683 512400776 /nfs/dbraw/zinc/40/07/76/512400776.db2.gz DNMVSSBMJSJDKW-ZWKOTPCHSA-N 1 2 360.454 2.758 20 30 FFEDLO CC[C@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000157844431 508620966 /nfs/dbraw/zinc/62/09/66/508620966.db2.gz QZMXEUZHOXJICJ-LJQANCHMSA-N 1 2 357.498 2.953 20 30 FFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000139143458 508784078 /nfs/dbraw/zinc/78/40/78/508784078.db2.gz NENWBFCPAFAPLR-UHFFFAOYSA-N 1 2 366.421 2.517 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1cccc([N+](=O)[O-])c1 ZINC000119646042 508835729 /nfs/dbraw/zinc/83/57/29/508835729.db2.gz QXSRRTWUNBZUSV-UHFFFAOYSA-N 1 2 369.377 2.950 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1cccc([N+](=O)[O-])c1 ZINC000119646042 508835731 /nfs/dbraw/zinc/83/57/31/508835731.db2.gz QXSRRTWUNBZUSV-UHFFFAOYSA-N 1 2 369.377 2.950 20 30 FFEDLO Cc1cc(CN(CCC#N)CC[NH+]2CCOCC2)sc1Br ZINC000154751746 508847930 /nfs/dbraw/zinc/84/79/30/508847930.db2.gz OYRMWJFFSQSEHN-UHFFFAOYSA-N 1 2 372.332 2.867 20 30 FFEDLO Cc1ccccc1[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000120237064 508955728 /nfs/dbraw/zinc/95/57/28/508955728.db2.gz SDXMYZVQAGKRPY-QGZVFWFLSA-N 1 2 369.490 2.934 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3cc(F)ccc3C#N)CC2)C1 ZINC000160301089 508967557 /nfs/dbraw/zinc/96/75/57/508967557.db2.gz UKZZYSDVSGODIJ-UZLBHIALSA-N 1 2 372.488 2.510 20 30 FFEDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000151277021 508991818 /nfs/dbraw/zinc/99/18/18/508991818.db2.gz NGZHILPTFPTIAU-WBMJQRKESA-N 1 2 364.858 2.680 20 30 FFEDLO Cn1cc(Br)cc1C[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000151473895 509024966 /nfs/dbraw/zinc/02/49/66/509024966.db2.gz ITEWBHTVEAOIIX-UHFFFAOYSA-N 1 2 367.272 2.791 20 30 FFEDLO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000151473895 509024968 /nfs/dbraw/zinc/02/49/68/509024968.db2.gz ITEWBHTVEAOIIX-UHFFFAOYSA-N 1 2 367.272 2.791 20 30 FFEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000120626855 509034151 /nfs/dbraw/zinc/03/41/51/509034151.db2.gz HRIBLSSZSBUWPR-UHFFFAOYSA-N 1 2 352.394 2.797 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccccc1Br ZINC000155626190 509040402 /nfs/dbraw/zinc/04/04/02/509040402.db2.gz NTQXSYHJDSQYIW-ZDUSSCGKSA-N 1 2 372.270 2.821 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccccc1Br ZINC000155626190 509040403 /nfs/dbraw/zinc/04/04/03/509040403.db2.gz NTQXSYHJDSQYIW-ZDUSSCGKSA-N 1 2 372.270 2.821 20 30 FFEDLO N#Cc1ccc(CSCC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000120664626 509041643 /nfs/dbraw/zinc/04/16/43/509041643.db2.gz VYHJIXLIGVUVJQ-GOSISDBHSA-N 1 2 353.447 2.866 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000120953338 509095972 /nfs/dbraw/zinc/09/59/72/509095972.db2.gz BELOXKULVPGPJT-GOSISDBHSA-N 1 2 353.397 2.943 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000120953338 509095975 /nfs/dbraw/zinc/09/59/75/509095975.db2.gz BELOXKULVPGPJT-GOSISDBHSA-N 1 2 353.397 2.943 20 30 FFEDLO Cc1cccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1C#N ZINC000156139851 509133743 /nfs/dbraw/zinc/13/37/43/509133743.db2.gz VCMGHEDKNGUBLV-MRXNPFEDSA-N 1 2 359.451 2.575 20 30 FFEDLO O=C(C[NH+]1CCN(CC#Cc2cccc(Cl)c2)CC1)N1CCCCCC1 ZINC000127055831 509163424 /nfs/dbraw/zinc/16/34/24/509163424.db2.gz HTQVHQILZBSCBB-UHFFFAOYSA-N 1 2 373.928 2.712 20 30 FFEDLO Cc1nc(N2CCN(Cc3cc(C#N)ccc3Br)CC2)cc[nH+]1 ZINC000191838573 509204855 /nfs/dbraw/zinc/20/48/55/509204855.db2.gz FVYBLLPKEDSQFC-UHFFFAOYSA-N 1 2 372.270 2.741 20 30 FFEDLO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000191844126 509208069 /nfs/dbraw/zinc/20/80/69/509208069.db2.gz PVYOZOXPVAGHJY-XUJVJEKNSA-N 1 2 363.845 2.670 20 30 FFEDLO COC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000191844126 509208075 /nfs/dbraw/zinc/20/80/75/509208075.db2.gz PVYOZOXPVAGHJY-XUJVJEKNSA-N 1 2 363.845 2.670 20 30 FFEDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000182413390 509227126 /nfs/dbraw/zinc/22/71/26/509227126.db2.gz DNFWQAWNACPRGO-UHFFFAOYSA-N 1 2 352.847 2.543 20 30 FFEDLO CN(C)c1noc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)n1 ZINC000191895360 509234611 /nfs/dbraw/zinc/23/46/11/509234611.db2.gz FNIZJHMFOULIPR-UHFFFAOYSA-N 1 2 363.421 2.876 20 30 FFEDLO O=C(CN1CC[NH+](CC#Cc2ccccc2)CC1)N1CCCc2ccccc21 ZINC000192103563 509347749 /nfs/dbraw/zinc/34/77/49/509347749.db2.gz JXIOAYUGTLJRAV-UHFFFAOYSA-N 1 2 373.500 2.635 20 30 FFEDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000189035057 509380638 /nfs/dbraw/zinc/38/06/38/509380638.db2.gz MZGCYKFSEYALML-FQEVSTJZSA-N 1 2 359.470 2.868 20 30 FFEDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000189035057 509380644 /nfs/dbraw/zinc/38/06/44/509380644.db2.gz MZGCYKFSEYALML-FQEVSTJZSA-N 1 2 359.470 2.868 20 30 FFEDLO Cc1ccc2oc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2n1 ZINC000264303821 509445990 /nfs/dbraw/zinc/44/59/90/509445990.db2.gz SLLYXTCRWFJKKC-UHFFFAOYSA-N 1 2 360.417 2.966 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000164411521 509500213 /nfs/dbraw/zinc/50/02/13/509500213.db2.gz ZGMPGTWOMLOHNQ-INIZCTEOSA-N 1 2 366.440 2.842 20 30 FFEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000186161572 509553390 /nfs/dbraw/zinc/55/33/90/509553390.db2.gz SABRJAHQKLSATM-UHFFFAOYSA-N 1 2 373.453 2.512 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000249068238 509590302 /nfs/dbraw/zinc/59/03/02/509590302.db2.gz ZSURAJNOVWBRJP-CJAUYULYSA-N 1 2 365.539 2.778 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000249068238 509590310 /nfs/dbraw/zinc/59/03/10/509590310.db2.gz ZSURAJNOVWBRJP-CJAUYULYSA-N 1 2 365.539 2.778 20 30 FFEDLO CCCCc1nc(CO[NH+]=C(N)c2cc(Cl)c(OC)c(OC)c2)no1 ZINC000264543765 509590403 /nfs/dbraw/zinc/59/04/03/509590403.db2.gz SIFYGKNPHPSNCL-UHFFFAOYSA-N 1 2 368.821 2.920 20 30 FFEDLO C[C@H](N1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1)C(F)(F)F ZINC000189509367 509610591 /nfs/dbraw/zinc/61/05/91/509610591.db2.gz OKDQXLPFAMFQFW-VIFPVBQESA-N 1 2 358.273 2.769 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000186281585 509622091 /nfs/dbraw/zinc/62/20/91/509622091.db2.gz DBXYGRJQQWTXQJ-SFHVURJKSA-N 1 2 362.477 2.553 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+]([C@@H]3CCN(CC(F)(F)F)C3=O)CC2)cc1 ZINC000264760770 509688222 /nfs/dbraw/zinc/68/82/22/509688222.db2.gz YTCGWMPKRUGZQY-MRXNPFEDSA-N 1 2 367.371 2.565 20 30 FFEDLO Cc1nc(C2([NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CCCC2)no1 ZINC000179983395 509699716 /nfs/dbraw/zinc/69/97/16/509699716.db2.gz YMWUPMKTVAZVMC-QGZVFWFLSA-N 1 2 365.437 2.804 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000189680656 509700155 /nfs/dbraw/zinc/70/01/55/509700155.db2.gz NXCZNXACQYMHTM-OAHLLOKOSA-N 1 2 359.367 2.786 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000268315854 509867024 /nfs/dbraw/zinc/86/70/24/509867024.db2.gz IMNVZBFKMYHWRC-WMZOPIPTSA-N 1 2 352.438 2.688 20 30 FFEDLO CCCc1noc(CO[NH+]=C(N)c2cccc(OCc3cccnc3)c2)n1 ZINC000174132062 509962680 /nfs/dbraw/zinc/96/26/80/509962680.db2.gz JBJACPTUOLOSJL-UHFFFAOYSA-N 1 2 367.409 2.833 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000177276639 509974443 /nfs/dbraw/zinc/97/44/43/509974443.db2.gz MNXWHAUQUCJYFS-SWLSCSKDSA-N 1 2 362.417 2.650 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000177276639 509974450 /nfs/dbraw/zinc/97/44/50/509974450.db2.gz MNXWHAUQUCJYFS-SWLSCSKDSA-N 1 2 362.417 2.650 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cc1C#N ZINC000193615649 509993077 /nfs/dbraw/zinc/99/30/77/509993077.db2.gz MNUZMEPYFNHVBY-SFHVURJKSA-N 1 2 357.454 2.927 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cc1C#N ZINC000193615649 509993085 /nfs/dbraw/zinc/99/30/85/509993085.db2.gz MNUZMEPYFNHVBY-SFHVURJKSA-N 1 2 357.454 2.927 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)N2C[C@@H](n3cc[nH+]c3)Cc3ccccc32)c1 ZINC000174266210 510030657 /nfs/dbraw/zinc/03/06/57/510030657.db2.gz SFXBELYHESUGCZ-KRWDZBQOSA-N 1 2 364.430 2.747 20 30 FFEDLO N#Cc1cc(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)ccn1 ZINC000193728182 510039580 /nfs/dbraw/zinc/03/95/80/510039580.db2.gz PXPBIWYJTKCWAQ-UHFFFAOYSA-N 1 2 357.417 2.591 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(C#N)c1C ZINC000245721975 510108018 /nfs/dbraw/zinc/10/80/18/510108018.db2.gz UVZCYTFGEADCNA-IFIJOSMWSA-N 1 2 355.442 2.875 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(C#N)c1C ZINC000245721975 510108020 /nfs/dbraw/zinc/10/80/20/510108020.db2.gz UVZCYTFGEADCNA-IFIJOSMWSA-N 1 2 355.442 2.875 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000245754352 510131221 /nfs/dbraw/zinc/13/12/21/510131221.db2.gz YCSJWOZAQDFQCX-LJQANCHMSA-N 1 2 351.450 2.934 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000245754352 510131225 /nfs/dbraw/zinc/13/12/25/510131225.db2.gz YCSJWOZAQDFQCX-LJQANCHMSA-N 1 2 351.450 2.934 20 30 FFEDLO N#Cc1csc(C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)c1 ZINC000180831644 510134118 /nfs/dbraw/zinc/13/41/18/510134118.db2.gz WYBGVCPFPUWJKG-UHFFFAOYSA-N 1 2 358.442 2.515 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177715728 510213926 /nfs/dbraw/zinc/21/39/26/510213926.db2.gz NJPSALUGRDYLBH-CQSZACIVSA-N 1 2 353.422 2.705 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177715728 510213932 /nfs/dbraw/zinc/21/39/32/510213932.db2.gz NJPSALUGRDYLBH-CQSZACIVSA-N 1 2 353.422 2.705 20 30 FFEDLO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)c(F)c1O ZINC000190608808 510238467 /nfs/dbraw/zinc/23/84/67/510238467.db2.gz LYCIPOCMQCMWBC-SJKOYZFVSA-N 1 2 371.387 2.994 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)cc1 ZINC000171622322 510256907 /nfs/dbraw/zinc/25/69/07/510256907.db2.gz XTVXDDVPKYLROI-MRXNPFEDSA-N 1 2 365.408 2.977 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)cc1 ZINC000171622322 510256918 /nfs/dbraw/zinc/25/69/18/510256918.db2.gz XTVXDDVPKYLROI-MRXNPFEDSA-N 1 2 365.408 2.977 20 30 FFEDLO N#Cc1ccc(CN[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c(F)c1 ZINC000269384232 510375155 /nfs/dbraw/zinc/37/51/55/510375155.db2.gz AGFCICYBGJYVAL-FPOVZHCZSA-N 1 2 353.441 2.670 20 30 FFEDLO N#Cc1ccc(CN[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c(F)c1 ZINC000269384232 510375163 /nfs/dbraw/zinc/37/51/63/510375163.db2.gz AGFCICYBGJYVAL-FPOVZHCZSA-N 1 2 353.441 2.670 20 30 FFEDLO COc1cccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 ZINC000171823632 510393315 /nfs/dbraw/zinc/39/33/15/510393315.db2.gz IJYIDGYDRZULKX-UHFFFAOYSA-N 1 2 365.393 2.532 20 30 FFEDLO C=CCSCCNC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000194564009 510425796 /nfs/dbraw/zinc/42/57/96/510425796.db2.gz JPMKSLVNNZDNMO-GOSISDBHSA-N 1 2 363.527 2.587 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000187887817 510488824 /nfs/dbraw/zinc/48/88/24/510488824.db2.gz BBGKGTCTPMCKFR-MRXNPFEDSA-N 1 2 353.825 2.615 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000187887817 510488830 /nfs/dbraw/zinc/48/88/30/510488830.db2.gz BBGKGTCTPMCKFR-MRXNPFEDSA-N 1 2 353.825 2.615 20 30 FFEDLO CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000194885744 510575049 /nfs/dbraw/zinc/57/50/49/510575049.db2.gz FRVHRQMCDPKLBY-AWEZNQCLSA-N 1 2 352.394 2.929 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000246615094 510585260 /nfs/dbraw/zinc/58/52/60/510585260.db2.gz YKLWBOHIRGMESK-FUHWJXTLSA-N 1 2 371.481 2.647 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000246615094 510585263 /nfs/dbraw/zinc/58/52/63/510585263.db2.gz YKLWBOHIRGMESK-FUHWJXTLSA-N 1 2 371.481 2.647 20 30 FFEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc([S@](C)=O)cc1 ZINC000178425687 510598204 /nfs/dbraw/zinc/59/82/04/510598204.db2.gz LYJDOXKJLACIMH-SANMLTNESA-N 1 2 366.446 2.978 20 30 FFEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc([S@](C)=O)cc1 ZINC000178425687 510598207 /nfs/dbraw/zinc/59/82/07/510598207.db2.gz LYJDOXKJLACIMH-SANMLTNESA-N 1 2 366.446 2.978 20 30 FFEDLO CC(C)Sc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000195166709 510698474 /nfs/dbraw/zinc/69/84/74/510698474.db2.gz FRVNTGCUSYPJSQ-UHFFFAOYSA-N 1 2 361.511 2.875 20 30 FFEDLO COC(=O)c1ccc(F)c(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000182007321 510704417 /nfs/dbraw/zinc/70/44/17/510704417.db2.gz SGLRPKILFOKJCB-FQEVSTJZSA-N 1 2 367.424 2.995 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178806472 510782864 /nfs/dbraw/zinc/78/28/64/510782864.db2.gz QJASVCAJCVILFR-MQNRADLISA-N 1 2 361.511 2.587 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178806472 510782869 /nfs/dbraw/zinc/78/28/69/510782869.db2.gz QJASVCAJCVILFR-MQNRADLISA-N 1 2 361.511 2.587 20 30 FFEDLO N#Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1C#N ZINC000172612014 510820941 /nfs/dbraw/zinc/82/09/41/510820941.db2.gz LGXCDQKJIYSDTC-UHFFFAOYSA-N 1 2 358.317 2.776 20 30 FFEDLO N#Cc1ccc(CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C2CC2)cc1 ZINC000178893252 510825510 /nfs/dbraw/zinc/82/55/10/510825510.db2.gz RBALPVHWSADMEB-GOSISDBHSA-N 1 2 361.449 2.906 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3ccco3)C2)c(OC)c1 ZINC000247099018 510834968 /nfs/dbraw/zinc/83/49/68/510834968.db2.gz YZKNGCXKPDECRO-DYESRHJHSA-N 1 2 373.449 2.830 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3ccco3)C2)c(OC)c1 ZINC000247099018 510834972 /nfs/dbraw/zinc/83/49/72/510834972.db2.gz YZKNGCXKPDECRO-DYESRHJHSA-N 1 2 373.449 2.830 20 30 FFEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@@H](C)O1 ZINC000247364050 510858601 /nfs/dbraw/zinc/85/86/01/510858601.db2.gz AXRBYPVDICBZCF-IXDOHACOSA-N 1 2 359.470 2.830 20 30 FFEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@@H](C)O1 ZINC000247364050 510858602 /nfs/dbraw/zinc/85/86/02/510858602.db2.gz AXRBYPVDICBZCF-IXDOHACOSA-N 1 2 359.470 2.830 20 30 FFEDLO CC[C@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000247495944 510863081 /nfs/dbraw/zinc/86/30/81/510863081.db2.gz HMSAGZPLIRCIJT-PBHICJAKSA-N 1 2 368.399 2.672 20 30 FFEDLO CC[C@H]1C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000247495944 510863082 /nfs/dbraw/zinc/86/30/82/510863082.db2.gz HMSAGZPLIRCIJT-PBHICJAKSA-N 1 2 368.399 2.672 20 30 FFEDLO CCN1CCN(CC(=O)Nc2sc(C)c(C)c2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000329907800 510874222 /nfs/dbraw/zinc/87/42/22/510874222.db2.gz LDQAMRPLAXKLPJ-HNNXBMFYSA-N 1 2 372.498 2.927 20 30 FFEDLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000329914123 510876045 /nfs/dbraw/zinc/87/60/45/510876045.db2.gz PBAMYAVPEHKUSC-YJBOKZPZSA-N 1 2 355.486 2.948 20 30 FFEDLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000329914123 510876049 /nfs/dbraw/zinc/87/60/49/510876049.db2.gz PBAMYAVPEHKUSC-YJBOKZPZSA-N 1 2 355.486 2.948 20 30 FFEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000329925794 510879161 /nfs/dbraw/zinc/87/91/61/510879161.db2.gz VSWGXOKPESOBPH-UHFFFAOYSA-N 1 2 374.441 2.586 20 30 FFEDLO CC(C)(CNC([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)OCO2 ZINC000329945827 510884219 /nfs/dbraw/zinc/88/42/19/510884219.db2.gz JGMJQSQJXMJJJA-CQSZACIVSA-N 1 2 370.453 2.656 20 30 FFEDLO CC(C)(C[NH+]=C([O-])NC[C@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)OCO2 ZINC000329945827 510884222 /nfs/dbraw/zinc/88/42/22/510884222.db2.gz JGMJQSQJXMJJJA-CQSZACIVSA-N 1 2 370.453 2.656 20 30 FFEDLO CC(C)(CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)OCO2 ZINC000329945827 510884230 /nfs/dbraw/zinc/88/42/30/510884230.db2.gz JGMJQSQJXMJJJA-CQSZACIVSA-N 1 2 370.453 2.656 20 30 FFEDLO Cc1[nH]c2c(cc(C)cc2CNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1C ZINC000329948568 510884377 /nfs/dbraw/zinc/88/43/77/510884377.db2.gz ZEMIMCLXFIILGD-ROUUACIJSA-N 1 2 356.470 2.522 20 30 FFEDLO Cc1[nH]c2c(cc(C)cc2CNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1C ZINC000329948568 510884384 /nfs/dbraw/zinc/88/43/84/510884384.db2.gz ZEMIMCLXFIILGD-ROUUACIJSA-N 1 2 356.470 2.522 20 30 FFEDLO CC(=O)N1CCC[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)C1 ZINC000329957333 510887615 /nfs/dbraw/zinc/88/76/15/510887615.db2.gz QCQAYNYPXTUVGB-PMPSAXMXSA-N 1 2 367.490 2.876 20 30 FFEDLO CC(=O)N1CCC[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)C1 ZINC000329957333 510887621 /nfs/dbraw/zinc/88/76/21/510887621.db2.gz QCQAYNYPXTUVGB-PMPSAXMXSA-N 1 2 367.490 2.876 20 30 FFEDLO COc1ccc([C@H](NC(=O)C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)C2CC2)cc1 ZINC000329968746 510889359 /nfs/dbraw/zinc/88/93/59/510889359.db2.gz WVUBNXRPPIHCKV-IPHXSNPTSA-N 1 2 374.481 2.983 20 30 FFEDLO COc1ccc([C@H](NC(=O)C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)C2CC2)cc1 ZINC000329968746 510889365 /nfs/dbraw/zinc/88/93/65/510889365.db2.gz WVUBNXRPPIHCKV-IPHXSNPTSA-N 1 2 374.481 2.983 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)CC1CCOCC1 ZINC000329980057 510892065 /nfs/dbraw/zinc/89/20/65/510892065.db2.gz KPIITWKWDYXWIV-HOTGVXAUSA-N 1 2 353.438 2.977 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)CC1CCOCC1 ZINC000329980057 510892072 /nfs/dbraw/zinc/89/20/72/510892072.db2.gz KPIITWKWDYXWIV-HOTGVXAUSA-N 1 2 353.438 2.977 20 30 FFEDLO O=C(NC1CCC(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1)C1CC1 ZINC000329997891 510897782 /nfs/dbraw/zinc/89/77/82/510897782.db2.gz RIHQGDNFXJOIGR-UHFFFAOYSA-N 1 2 370.497 2.651 20 30 FFEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000330085718 510913875 /nfs/dbraw/zinc/91/38/75/510913875.db2.gz DAMWKGWQKVNBCI-WRWLIDTKSA-N 1 2 360.454 2.737 20 30 FFEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000330085718 510913880 /nfs/dbraw/zinc/91/38/80/510913880.db2.gz DAMWKGWQKVNBCI-WRWLIDTKSA-N 1 2 360.454 2.737 20 30 FFEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C[C@]2(CCOC2)O1 ZINC000330103699 510916300 /nfs/dbraw/zinc/91/63/00/510916300.db2.gz GNFTUYGAQOTKBR-QEORTHHSSA-N 1 2 353.850 2.981 20 30 FFEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C[C@]2(CCOC2)O1 ZINC000330103699 510916303 /nfs/dbraw/zinc/91/63/03/510916303.db2.gz GNFTUYGAQOTKBR-QEORTHHSSA-N 1 2 353.850 2.981 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@@]2(CCCOC2)O1 ZINC000330104670 510916985 /nfs/dbraw/zinc/91/69/85/510916985.db2.gz HRXLEFGXIZFZIR-WFXMFSGNSA-N 1 2 367.490 2.706 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@@]2(CCCOC2)O1 ZINC000330104670 510916989 /nfs/dbraw/zinc/91/69/89/510916989.db2.gz HRXLEFGXIZFZIR-WFXMFSGNSA-N 1 2 367.490 2.706 20 30 FFEDLO CCOCCOCC[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000276118836 510927821 /nfs/dbraw/zinc/92/78/21/510927821.db2.gz AUDWUAJDNZVPAO-UHFFFAOYSA-N 1 2 357.454 2.723 20 30 FFEDLO CCOCCOCC[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000276118836 510927824 /nfs/dbraw/zinc/92/78/24/510927824.db2.gz AUDWUAJDNZVPAO-UHFFFAOYSA-N 1 2 357.454 2.723 20 30 FFEDLO CC[C@@H]1C[N@H+](CC(=O)NCCc2ccc(F)cc2)C[C@]2(CCOC2)O1 ZINC000330166671 510928464 /nfs/dbraw/zinc/92/84/64/510928464.db2.gz YGJDKQIFLZESPJ-MJGOQNOKSA-N 1 2 350.434 2.595 20 30 FFEDLO CC[C@@H]1C[N@@H+](CC(=O)NCCc2ccc(F)cc2)C[C@]2(CCOC2)O1 ZINC000330166671 510928466 /nfs/dbraw/zinc/92/84/66/510928466.db2.gz YGJDKQIFLZESPJ-MJGOQNOKSA-N 1 2 350.434 2.595 20 30 FFEDLO C[N@H+](CCOCC(F)(F)C(F)F)Cc1nccn1CC(F)(F)F ZINC000276351826 510934376 /nfs/dbraw/zinc/93/43/76/510934376.db2.gz KRWLRAKXRKLRQJ-UHFFFAOYSA-N 1 2 351.266 2.794 20 30 FFEDLO C[N@@H+](CCOCC(F)(F)C(F)F)Cc1nccn1CC(F)(F)F ZINC000276351826 510934380 /nfs/dbraw/zinc/93/43/80/510934380.db2.gz KRWLRAKXRKLRQJ-UHFFFAOYSA-N 1 2 351.266 2.794 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000276452469 510939237 /nfs/dbraw/zinc/93/92/37/510939237.db2.gz XTSSVUFOWOUSHU-FUHWJXTLSA-N 1 2 350.422 2.625 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000330247068 510946723 /nfs/dbraw/zinc/94/67/23/510946723.db2.gz LONFBEWLIQRQJC-ILXRZTDVSA-N 1 2 374.489 2.518 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000330247068 510946728 /nfs/dbraw/zinc/94/67/28/510946728.db2.gz LONFBEWLIQRQJC-ILXRZTDVSA-N 1 2 374.489 2.518 20 30 FFEDLO Cc1ccc([NH+]=C([O-])N2CCC[C@@H]2Cn2cc[nH+]c2)cc1N1CCNC1=O ZINC000330271455 510953428 /nfs/dbraw/zinc/95/34/28/510953428.db2.gz VYQVPLZQMJTJHV-MRXNPFEDSA-N 1 2 368.441 2.636 20 30 FFEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCc2ccc(Br)cc21 ZINC000330277230 510954647 /nfs/dbraw/zinc/95/46/47/510954647.db2.gz NYPQUWBIMFJOEF-ZDUSSCGKSA-N 1 2 361.243 2.937 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)cc1OCCCC#N ZINC000277342352 510961591 /nfs/dbraw/zinc/96/15/91/510961591.db2.gz DGXWZQGBHIEOFF-OWJWWREXSA-N 1 2 350.484 2.578 20 30 FFEDLO COc1ccc(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)cc1OCCCC#N ZINC000277342352 510961597 /nfs/dbraw/zinc/96/15/97/510961597.db2.gz DGXWZQGBHIEOFF-OWJWWREXSA-N 1 2 350.484 2.578 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)cc1OCCCC#N ZINC000277342353 510962322 /nfs/dbraw/zinc/96/23/22/510962322.db2.gz DGXWZQGBHIEOFF-OYLFLEFRSA-N 1 2 350.484 2.578 20 30 FFEDLO COc1ccc(C[N@H+]2CC[S@@](=O)C[C@H](C)C2)cc1OCCCC#N ZINC000277342353 510962325 /nfs/dbraw/zinc/96/23/25/510962325.db2.gz DGXWZQGBHIEOFF-OYLFLEFRSA-N 1 2 350.484 2.578 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2cc3ccccc3[nH]c2=O)CCO1 ZINC000330320115 510963159 /nfs/dbraw/zinc/96/31/59/510963159.db2.gz DVZUEAULMPRGNB-GUYCJALGSA-N 1 2 352.394 2.899 20 30 FFEDLO C[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@](=O)C1 ZINC000277531302 510964770 /nfs/dbraw/zinc/96/47/70/510964770.db2.gz PVTMWIZHLJXKCG-LMKMVOKYSA-N 1 2 356.495 2.664 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@](=O)C1 ZINC000277531302 510964772 /nfs/dbraw/zinc/96/47/72/510964772.db2.gz PVTMWIZHLJXKCG-LMKMVOKYSA-N 1 2 356.495 2.664 20 30 FFEDLO Cc1cnc([C@H](NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C2CC2)s1 ZINC000330341263 510970374 /nfs/dbraw/zinc/97/03/74/510970374.db2.gz ZAPLEXWFQPNBMY-HUUCEWRRSA-N 1 2 374.514 2.539 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCOC[C@H]2CC(F)F)c(OC)c1 ZINC000286489139 511026334 /nfs/dbraw/zinc/02/63/34/511026334.db2.gz OVADEZQKVOKVCQ-CVEARBPZSA-N 1 2 371.424 2.519 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@H]2CC(F)F)c(OC)c1 ZINC000286489139 511026338 /nfs/dbraw/zinc/02/63/38/511026338.db2.gz OVADEZQKVOKVCQ-CVEARBPZSA-N 1 2 371.424 2.519 20 30 FFEDLO C=CCOc1ccc(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000286827250 511033791 /nfs/dbraw/zinc/03/37/91/511033791.db2.gz LAJZCAKUIZQQCZ-UHFFFAOYSA-N 1 2 366.465 2.674 20 30 FFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000287238062 511045153 /nfs/dbraw/zinc/04/51/53/511045153.db2.gz WUDZABDJSUTXLL-BHIYHBOVSA-N 1 2 356.470 2.536 20 30 FFEDLO COc1cc(C[N@H+](C)C[C@@H](C)C#N)cc(I)c1OC ZINC000271132598 511092308 /nfs/dbraw/zinc/09/23/08/511092308.db2.gz PJFCWUIDEQARQS-JTQLQIEISA-N 1 2 374.222 2.900 20 30 FFEDLO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)cc(I)c1OC ZINC000271132598 511092313 /nfs/dbraw/zinc/09/23/13/511092313.db2.gz PJFCWUIDEQARQS-JTQLQIEISA-N 1 2 374.222 2.900 20 30 FFEDLO N#CCCN(C(=O)C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1)c1ccccc1 ZINC000289858169 511118090 /nfs/dbraw/zinc/11/80/90/511118090.db2.gz LCTJFTZKCGQBIO-QGZVFWFLSA-N 1 2 357.845 2.730 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1)c1ccccc1 ZINC000289858169 511118093 /nfs/dbraw/zinc/11/80/93/511118093.db2.gz LCTJFTZKCGQBIO-QGZVFWFLSA-N 1 2 357.845 2.730 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCC1(C)C ZINC000297941891 511118139 /nfs/dbraw/zinc/11/81/39/511118139.db2.gz ZYAVQXRUZAECMG-CVEARBPZSA-N 1 2 358.486 2.709 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccncn3)CC2)c(C#N)c1C ZINC000298085629 511170282 /nfs/dbraw/zinc/17/02/82/511170282.db2.gz HVLFIKYVRKAJTH-CYBMUJFWSA-N 1 2 353.426 2.765 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N(CC)Cc2ccccc2)n1 ZINC000279755110 511203149 /nfs/dbraw/zinc/20/31/49/511203149.db2.gz QPNOJSRVCJHXNY-SFHVURJKSA-N 1 2 352.482 2.775 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N(CC)Cc2ccccc2)n1 ZINC000279755110 511203150 /nfs/dbraw/zinc/20/31/50/511203150.db2.gz QPNOJSRVCJHXNY-SFHVURJKSA-N 1 2 352.482 2.775 20 30 FFEDLO CC(C)(C)n1ncnc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000283219997 511282284 /nfs/dbraw/zinc/28/22/84/511282284.db2.gz SRXZQDVFMXLFAG-UHFFFAOYSA-N 1 2 366.469 2.755 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1(C)C ZINC000295339346 511368443 /nfs/dbraw/zinc/36/84/43/511368443.db2.gz BAWFXHNSZWNHKX-KRWDZBQOSA-N 1 2 360.421 2.701 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)C[N@@H+]1CC[C@@H](n3cccn3)C1)CCCCC2 ZINC000291953236 511404934 /nfs/dbraw/zinc/40/49/34/511404934.db2.gz UQKVRCZKUQZLQI-CQSZACIVSA-N 1 2 369.494 2.971 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)C[N@H+]1CC[C@@H](n3cccn3)C1)CCCCC2 ZINC000291953236 511404940 /nfs/dbraw/zinc/40/49/40/511404940.db2.gz UQKVRCZKUQZLQI-CQSZACIVSA-N 1 2 369.494 2.971 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C(C)C)C2COC2)c1C#N ZINC000295551572 511442451 /nfs/dbraw/zinc/44/24/51/511442451.db2.gz XBYLDZCQVHZHCF-UHFFFAOYSA-N 1 2 370.453 2.666 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C(C)C)C2COC2)c1C#N ZINC000295551572 511442456 /nfs/dbraw/zinc/44/24/56/511442456.db2.gz XBYLDZCQVHZHCF-UHFFFAOYSA-N 1 2 370.453 2.666 20 30 FFEDLO COc1cc(-c2nnc(C[NH+]3CCC(C)(C#N)CC3)o2)cc(OC)c1OC ZINC000272494425 511496381 /nfs/dbraw/zinc/49/63/81/511496381.db2.gz CUCFZHVFULGIEK-UHFFFAOYSA-N 1 2 372.425 2.888 20 30 FFEDLO CC1(C#N)CC[NH+](CC(=O)NCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000272512592 511497600 /nfs/dbraw/zinc/49/76/00/511497600.db2.gz GKORMLODEKSSMY-UHFFFAOYSA-N 1 2 369.387 2.826 20 30 FFEDLO CC(C)N1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1=O ZINC000272533352 511497686 /nfs/dbraw/zinc/49/76/86/511497686.db2.gz NMFHIWWNPGSLAC-UHFFFAOYSA-N 1 2 351.454 2.516 20 30 FFEDLO CC(C)N1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1=O ZINC000272533352 511497687 /nfs/dbraw/zinc/49/76/87/511497687.db2.gz NMFHIWWNPGSLAC-UHFFFAOYSA-N 1 2 351.454 2.516 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cccc(Br)n3)C2)nc1 ZINC000292204869 511505781 /nfs/dbraw/zinc/50/57/81/511505781.db2.gz NZIZIKQBMXMZTH-CQSZACIVSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cccc(Br)n3)C2)nc1 ZINC000292204869 511505782 /nfs/dbraw/zinc/50/57/82/511505782.db2.gz NZIZIKQBMXMZTH-CQSZACIVSA-N 1 2 359.227 2.764 20 30 FFEDLO N#CCN(C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1)C1CC1 ZINC000272857669 511509384 /nfs/dbraw/zinc/50/93/84/511509384.db2.gz UFLLPCUIZAYKLZ-UHFFFAOYSA-N 1 2 350.422 2.671 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000273260793 511520800 /nfs/dbraw/zinc/52/08/00/511520800.db2.gz BXAPCQSMJVHVPO-HOTGVXAUSA-N 1 2 354.454 2.900 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000273306274 511522257 /nfs/dbraw/zinc/52/22/57/511522257.db2.gz LQQDOSSEGXFSOK-GXTWGEPZSA-N 1 2 373.432 2.843 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)o2)cc1 ZINC000292290798 511539543 /nfs/dbraw/zinc/53/95/43/511539543.db2.gz UELSUEMDZGJERF-QGZVFWFLSA-N 1 2 372.388 2.528 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)o2)cc1 ZINC000292290798 511539549 /nfs/dbraw/zinc/53/95/49/511539549.db2.gz UELSUEMDZGJERF-QGZVFWFLSA-N 1 2 372.388 2.528 20 30 FFEDLO C=CCN1C(=O)N(Cc2c[nH+]ccc2OC)C(=O)[C@@H]1Cc1ccccc1 ZINC000349335004 511612628 /nfs/dbraw/zinc/61/26/28/511612628.db2.gz VLYADJIZHTZLBE-KRWDZBQOSA-N 1 2 351.406 2.652 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000280857867 511630671 /nfs/dbraw/zinc/63/06/71/511630671.db2.gz CINQTKPSWQEIHJ-SKDZVZGDSA-N 1 2 367.440 2.848 20 30 FFEDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCC#N)Cc1ccco1 ZINC000299436334 511635448 /nfs/dbraw/zinc/63/54/48/511635448.db2.gz YAABRWIVBMQENF-UHFFFAOYSA-N 1 2 372.381 2.941 20 30 FFEDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCC#N)Cc1ccco1 ZINC000299436334 511635455 /nfs/dbraw/zinc/63/54/55/511635455.db2.gz YAABRWIVBMQENF-UHFFFAOYSA-N 1 2 372.381 2.941 20 30 FFEDLO C=C(C)Cn1c(SCC[N@@H+]2CCO[C@H](C)C2)nnc1-c1ccncc1 ZINC000284210204 511643220 /nfs/dbraw/zinc/64/32/20/511643220.db2.gz LREQYZUGWLULCN-OAHLLOKOSA-N 1 2 359.499 2.729 20 30 FFEDLO C=C(C)Cn1c(SCC[N@H+]2CCO[C@H](C)C2)nnc1-c1ccncc1 ZINC000284210204 511643223 /nfs/dbraw/zinc/64/32/23/511643223.db2.gz LREQYZUGWLULCN-OAHLLOKOSA-N 1 2 359.499 2.729 20 30 FFEDLO CCSCc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000299490471 511657688 /nfs/dbraw/zinc/65/76/88/511657688.db2.gz CKBLHBHRROIPRN-UHFFFAOYSA-N 1 2 361.511 2.628 20 30 FFEDLO N#Cc1cc(Br)cnc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000296272811 511679635 /nfs/dbraw/zinc/67/96/35/511679635.db2.gz GXLXOUBDVAIGIS-UHFFFAOYSA-N 1 2 374.242 2.559 20 30 FFEDLO NC(=[NH+]OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCO1 ZINC000284399321 511709682 /nfs/dbraw/zinc/70/96/82/511709682.db2.gz MYSYZBXRECLIEM-LLVKDONJSA-N 1 2 365.739 2.765 20 30 FFEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)c(OC)c1 ZINC000302749359 511714040 /nfs/dbraw/zinc/71/40/40/511714040.db2.gz FDCJSIVQTAJILE-FXAWDEMLSA-N 1 2 359.470 2.895 20 30 FFEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)c(OC)c1 ZINC000302749359 511714041 /nfs/dbraw/zinc/71/40/41/511714041.db2.gz FDCJSIVQTAJILE-FXAWDEMLSA-N 1 2 359.470 2.895 20 30 FFEDLO C=C(C)COc1cc(C[NH+]2CCC(CS(C)(=O)=O)CC2)ccc1OC ZINC000292824752 511735004 /nfs/dbraw/zinc/73/50/04/511735004.db2.gz QKVQOBMSLATRTH-UHFFFAOYSA-N 1 2 367.511 2.907 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2F)C1=O ZINC000281245627 511773433 /nfs/dbraw/zinc/77/34/33/511773433.db2.gz GLCPPANCXPJILC-ABAIWWIYSA-N 1 2 353.825 2.525 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2F)C1=O ZINC000281245627 511773437 /nfs/dbraw/zinc/77/34/37/511773437.db2.gz GLCPPANCXPJILC-ABAIWWIYSA-N 1 2 353.825 2.525 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)C1(C#N)CCC1 ZINC000281248946 511774604 /nfs/dbraw/zinc/77/46/04/511774604.db2.gz POWDMUDIJXVSSE-KBPBESRZSA-N 1 2 350.463 2.516 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)C1(C#N)CCC1 ZINC000281248946 511774611 /nfs/dbraw/zinc/77/46/11/511774611.db2.gz POWDMUDIJXVSSE-KBPBESRZSA-N 1 2 350.463 2.516 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCN(CC=C)C1=O ZINC000281384262 511826179 /nfs/dbraw/zinc/82/61/79/511826179.db2.gz PJTBCDDJLQCNSR-INIZCTEOSA-N 1 2 359.495 2.622 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCN(CC=C)C1=O ZINC000281384262 511826184 /nfs/dbraw/zinc/82/61/84/511826184.db2.gz PJTBCDDJLQCNSR-INIZCTEOSA-N 1 2 359.495 2.622 20 30 FFEDLO CNS(=O)(=O)c1cccc2c1CC[N@@H+]([C@@H](C)c1cccc(C#N)c1)C2 ZINC000284807837 511878833 /nfs/dbraw/zinc/87/88/33/511878833.db2.gz PBXBGIBLDDJPBC-AWEZNQCLSA-N 1 2 355.463 2.586 20 30 FFEDLO CNS(=O)(=O)c1cccc2c1CC[N@H+]([C@@H](C)c1cccc(C#N)c1)C2 ZINC000284807837 511878835 /nfs/dbraw/zinc/87/88/35/511878835.db2.gz PBXBGIBLDDJPBC-AWEZNQCLSA-N 1 2 355.463 2.586 20 30 FFEDLO Cc1cc(N2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc(-c2ccncc2)[nH+]1 ZINC000366190099 511889503 /nfs/dbraw/zinc/88/95/03/511889503.db2.gz ZODJAIQHGBWITL-QGZVFWFLSA-N 1 2 358.405 2.771 20 30 FFEDLO Cn1cc2c(n1)CCC[C@@H]2C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000328639179 511902343 /nfs/dbraw/zinc/90/23/43/511902343.db2.gz DPJBFUIYHPAYNL-PXNSSMCTSA-N 1 2 368.481 2.870 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCC(F)(F)C2)CCO1 ZINC000328647775 511908048 /nfs/dbraw/zinc/90/80/48/511908048.db2.gz ADMXCUXAEAYFGM-GUTXKFCHSA-N 1 2 356.417 2.969 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@]3(CO)CCCc4ccccc43)o2)cc1 ZINC000281694984 511933263 /nfs/dbraw/zinc/93/32/63/511933263.db2.gz NJYGRORIYGMXBT-NRFANRHFSA-N 1 2 360.417 2.922 20 30 FFEDLO CCCc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000293374443 511941096 /nfs/dbraw/zinc/94/10/96/511941096.db2.gz FWKGFQRVPBHXTD-QZTJIDSGSA-N 1 2 361.511 2.638 20 30 FFEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@@](C)(O)C3)n2)C1 ZINC000328945395 511954033 /nfs/dbraw/zinc/95/40/33/511954033.db2.gz AXCJCDRUYVZJHJ-SUMWQHHRSA-N 1 2 352.504 2.767 20 30 FFEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@@](C)(O)C3)n2)C1 ZINC000328945395 511954040 /nfs/dbraw/zinc/95/40/40/511954040.db2.gz AXCJCDRUYVZJHJ-SUMWQHHRSA-N 1 2 352.504 2.767 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000296928978 511954554 /nfs/dbraw/zinc/95/45/54/511954554.db2.gz BBWLVMGWEBVNFG-CYBMUJFWSA-N 1 2 372.270 2.994 20 30 FFEDLO Cc1ccn2cc(CNC(=O)N3CCCC[C@@H]3[C@@H]3CNC(=O)C3)[nH+]c2c1 ZINC000328951910 511955641 /nfs/dbraw/zinc/95/56/41/511955641.db2.gz NSXRNHXXYDBVGU-GOEBONIOSA-N 1 2 355.442 2.888 20 30 FFEDLO O=C(NCc1cc(F)ccc1N1CCOCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328967037 511957748 /nfs/dbraw/zinc/95/77/48/511957748.db2.gz SVWVJRZTBUDOLR-AWEZNQCLSA-N 1 2 358.417 2.578 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N[C@@H]2CCCC2(C)C)CCC(=O)N1C1CC1 ZINC000328970063 511958481 /nfs/dbraw/zinc/95/84/81/511958481.db2.gz BAHGHXQZULAWNT-QGPMSJSTSA-N 1 2 373.501 2.697 20 30 FFEDLO CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000329020160 511967704 /nfs/dbraw/zinc/96/77/04/511967704.db2.gz HPUGDYJYPZLCQB-DZKIICNBSA-N 1 2 352.504 2.688 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@@H]1C ZINC000293508743 511991701 /nfs/dbraw/zinc/99/17/01/511991701.db2.gz UYHAYMDSJGSBNQ-OAGGEKHMSA-N 1 2 370.497 2.696 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@@H]1C ZINC000293508743 511991703 /nfs/dbraw/zinc/99/17/03/511991703.db2.gz UYHAYMDSJGSBNQ-OAGGEKHMSA-N 1 2 370.497 2.696 20 30 FFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285078232 511991918 /nfs/dbraw/zinc/99/19/18/511991918.db2.gz NDTQRXAOHLRKDS-AWEZNQCLSA-N 1 2 371.416 2.535 20 30 FFEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@H](C)C3(CCC3)C2)nc[nH+]1 ZINC000329145280 511992109 /nfs/dbraw/zinc/99/21/09/511992109.db2.gz NPEBPWKLQXNDNS-JKSUJKDBSA-N 1 2 372.517 2.913 20 30 FFEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@H](C)C3(CCC3)C2)[nH+]cn1 ZINC000329145280 511992110 /nfs/dbraw/zinc/99/21/10/511992110.db2.gz NPEBPWKLQXNDNS-JKSUJKDBSA-N 1 2 372.517 2.913 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000281888572 512001279 /nfs/dbraw/zinc/00/12/79/512001279.db2.gz WBQBLCMWZQLNIR-SZMVWBNQSA-N 1 2 372.444 2.929 20 30 FFEDLO CC1(C)C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C(C)(C)O1 ZINC000329226345 512009372 /nfs/dbraw/zinc/00/93/72/512009372.db2.gz AIXISGKJEHZCCH-GOSISDBHSA-N 1 2 370.497 2.936 20 30 FFEDLO C[C@H]1CCCCN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000329259851 512016479 /nfs/dbraw/zinc/01/64/79/512016479.db2.gz AICLQOZAQQYJEA-ZSZQSSIHSA-N 1 2 373.501 2.651 20 30 FFEDLO C[C@@H]1C[C@H](C)CN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000329320108 512026498 /nfs/dbraw/zinc/02/64/98/512026498.db2.gz IUBISYSKPGZGED-QHHYFVSCSA-N 1 2 373.501 2.507 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1sccc1-n1cnnn1)C2 ZINC000329373299 512035786 /nfs/dbraw/zinc/03/57/86/512035786.db2.gz JVIIDLIZVUABCK-LLVKDONJSA-N 1 2 371.470 2.537 20 30 FFEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@](C)(O)CC1)C1CCOCC1 ZINC000329386139 512037491 /nfs/dbraw/zinc/03/74/91/512037491.db2.gz QGPPIGAGICNSJT-VQIMIIECSA-N 1 2 364.490 2.522 20 30 FFEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000329484512 512055903 /nfs/dbraw/zinc/05/59/03/512055903.db2.gz SICJDVCTWVHPFM-FUHWJXTLSA-N 1 2 360.502 2.780 20 30 FFEDLO CN1CCO[C@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000329484512 512055914 /nfs/dbraw/zinc/05/59/14/512055914.db2.gz SICJDVCTWVHPFM-FUHWJXTLSA-N 1 2 360.502 2.780 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1ccccc1F ZINC000329494637 512057041 /nfs/dbraw/zinc/05/70/41/512057041.db2.gz UQERBLXNKDORLR-BMFZPTHFSA-N 1 2 371.416 2.613 20 30 FFEDLO O=C(N[C@H]1CC(=O)N(c2ccccc2Cl)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329502146 512059213 /nfs/dbraw/zinc/05/92/13/512059213.db2.gz WCSADZISBJJZIL-OLZOCXBDSA-N 1 2 358.829 2.861 20 30 FFEDLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000329513342 512060415 /nfs/dbraw/zinc/06/04/15/512060415.db2.gz LJZJZUFWWVOKDL-INIZCTEOSA-N 1 2 355.442 2.793 20 30 FFEDLO COCc1cccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000275167871 512062951 /nfs/dbraw/zinc/06/29/51/512062951.db2.gz TUXNCOKIYKQKFV-UHFFFAOYSA-N 1 2 363.461 2.592 20 30 FFEDLO N#CCCCOc1cccc(CNc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000364299369 512075648 /nfs/dbraw/zinc/07/56/48/512075648.db2.gz CTXHUBOJGKSVMX-UHFFFAOYSA-N 1 2 369.469 2.510 20 30 FFEDLO O=C(NCc1ccc(N2CCCCCC2)nc1)N1CCn2c[nH+]cc2C1 ZINC000329613460 512077082 /nfs/dbraw/zinc/07/70/82/512077082.db2.gz OUSJARATBNLNSY-UHFFFAOYSA-N 1 2 354.458 2.588 20 30 FFEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(Cl)cc3OC(F)F)C[C@H]21 ZINC000329655266 512083117 /nfs/dbraw/zinc/08/31/17/512083117.db2.gz MAVAYCWHZZSICM-YPMHNXCESA-N 1 2 361.776 2.502 20 30 FFEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(Cl)cc3OC(F)F)C[C@H]21 ZINC000329655266 512083120 /nfs/dbraw/zinc/08/31/20/512083120.db2.gz MAVAYCWHZZSICM-YPMHNXCESA-N 1 2 361.776 2.502 20 30 FFEDLO CC(C)N1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1=O ZINC000329678969 512085700 /nfs/dbraw/zinc/08/57/00/512085700.db2.gz QPLNMWXRYFHIDT-SJLPKXTDSA-N 1 2 361.511 2.742 20 30 FFEDLO CC1CC[NH+](C[C@@H]2CCCN(C([O-])=[NH+][C@H]3CCc4[nH]c[nH+]c4C3)C2)CC1 ZINC000329732893 512092565 /nfs/dbraw/zinc/09/25/65/512092565.db2.gz JEQMUZNNEDWEGQ-IRXDYDNUSA-N 1 2 359.518 2.625 20 30 FFEDLO CC1CC[NH+](C[C@@H]2CCCN(C([O-])=[NH+][C@H]3CCc4[nH+]c[nH]c4C3)C2)CC1 ZINC000329732893 512092568 /nfs/dbraw/zinc/09/25/68/512092568.db2.gz JEQMUZNNEDWEGQ-IRXDYDNUSA-N 1 2 359.518 2.625 20 30 FFEDLO O=C(Nc1csc(-c2ccccn2)n1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329832235 512102490 /nfs/dbraw/zinc/10/24/90/512102490.db2.gz KIYZDSQHUBISHD-CQSZACIVSA-N 1 2 373.482 2.547 20 30 FFEDLO C=CCOc1ccccc1CNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411221149 512527918 /nfs/dbraw/zinc/52/79/18/512527918.db2.gz UBTOKZNHGNMSJS-UHFFFAOYSA-N 1 2 353.422 2.827 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1Cl ZINC000373932220 512577698 /nfs/dbraw/zinc/57/76/98/512577698.db2.gz GKLJFMQFMIFCED-AWEZNQCLSA-N 1 2 355.829 2.820 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3ccncn3)C2)cc1Cl ZINC000373932220 512577703 /nfs/dbraw/zinc/57/77/03/512577703.db2.gz GKLJFMQFMIFCED-AWEZNQCLSA-N 1 2 355.829 2.820 20 30 FFEDLO C[C@H]([NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1)c1ccc(C#N)cc1 ZINC000367672772 512609278 /nfs/dbraw/zinc/60/92/78/512609278.db2.gz OEBXUSXAOSBDBL-LBPRGKRZSA-N 1 2 370.363 2.986 20 30 FFEDLO N#Cc1cccc(-c2c[nH+]c(CNC(=O)c3cc4ccccc4oc3=O)[nH]2)c1 ZINC000378175241 512625780 /nfs/dbraw/zinc/62/57/80/512625780.db2.gz OTBGSKILJLZKAC-UHFFFAOYSA-N 1 2 370.368 2.985 20 30 FFEDLO N#Cc1ccc(N2CC[C@H](C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)C2)c(F)c1 ZINC000367720883 512631934 /nfs/dbraw/zinc/63/19/34/512631934.db2.gz MWTZHEXNXBOPBG-IRXDYDNUSA-N 1 2 367.428 2.584 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)C2)c(F)c1 ZINC000367720884 512632233 /nfs/dbraw/zinc/63/22/33/512632233.db2.gz MWTZHEXNXBOPBG-SJORKVTESA-N 1 2 367.428 2.584 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000367745284 512643418 /nfs/dbraw/zinc/64/34/18/512643418.db2.gz FURWBWNZPIUDLB-GOSISDBHSA-N 1 2 350.466 2.696 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([NH2+][C@@H](CO)c3cccc(Cl)c3F)C2=O)cc1 ZINC000411664635 512745089 /nfs/dbraw/zinc/74/50/89/512745089.db2.gz FCKJWQHINYVCGP-IRXDYDNUSA-N 1 2 373.815 2.779 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000376505958 512848115 /nfs/dbraw/zinc/84/81/15/512848115.db2.gz IWBNVWBHNHJNIU-ZDUSSCGKSA-N 1 2 372.270 2.903 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000376505958 512848117 /nfs/dbraw/zinc/84/81/17/512848117.db2.gz IWBNVWBHNHJNIU-ZDUSSCGKSA-N 1 2 372.270 2.903 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(Cc3cccnc3)CC2)c1 ZINC000374481580 512852316 /nfs/dbraw/zinc/85/23/16/512852316.db2.gz NSQFAWSOPNEMQK-UHFFFAOYSA-N 1 2 369.490 2.682 20 30 FFEDLO Cc1oc(NC(=O)C[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)c(C#N)c1C ZINC000378654636 512867925 /nfs/dbraw/zinc/86/79/25/512867925.db2.gz WRXZDWBSUOVCHO-LJQANCHMSA-N 1 2 363.421 2.819 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000374524547 512872938 /nfs/dbraw/zinc/87/29/38/512872938.db2.gz ZITSRXSNAVRVCH-UNMCSNQZSA-N 1 2 364.445 2.798 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000374524547 512872942 /nfs/dbraw/zinc/87/29/42/512872942.db2.gz ZITSRXSNAVRVCH-UNMCSNQZSA-N 1 2 364.445 2.798 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1)OCC ZINC000372536991 512926950 /nfs/dbraw/zinc/92/69/50/512926950.db2.gz APYYJZLIDLWNNS-DLBZAZTESA-N 1 2 364.490 2.562 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1)OCC ZINC000372536991 512926954 /nfs/dbraw/zinc/92/69/54/512926954.db2.gz APYYJZLIDLWNNS-DLBZAZTESA-N 1 2 364.490 2.562 20 30 FFEDLO N#CCCCOc1cccnc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000372744527 513024906 /nfs/dbraw/zinc/02/49/06/513024906.db2.gz SLTWZVKEGIHJMW-UHFFFAOYSA-N 1 2 368.441 2.661 20 30 FFEDLO COCCN(C)c1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cn1 ZINC000372811848 513054576 /nfs/dbraw/zinc/05/45/76/513054576.db2.gz LGHVTBKUVVNJPK-FQEVSTJZSA-N 1 2 366.465 2.609 20 30 FFEDLO COCCN(C)c1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cn1 ZINC000372811848 513054578 /nfs/dbraw/zinc/05/45/78/513054578.db2.gz LGHVTBKUVVNJPK-FQEVSTJZSA-N 1 2 366.465 2.609 20 30 FFEDLO Cc1cccc(CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000409534527 513118777 /nfs/dbraw/zinc/11/87/77/513118777.db2.gz JWAFRCFLZNRNLC-UHFFFAOYSA-N 1 2 362.477 2.937 20 30 FFEDLO C=CCC1(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCOCC1 ZINC000424557826 513181053 /nfs/dbraw/zinc/18/10/53/513181053.db2.gz JATRQUYDKRTJAI-UHFFFAOYSA-N 1 2 372.513 2.930 20 30 FFEDLO COC(=O)[C@@H](c1ccccc1C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428778028 513189288 /nfs/dbraw/zinc/18/92/88/513189288.db2.gz HXMXNWMYMRMMIX-QFBILLFUSA-N 1 2 351.406 2.629 20 30 FFEDLO COC(=O)[C@@H](c1ccccc1C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428778028 513189292 /nfs/dbraw/zinc/18/92/92/513189292.db2.gz HXMXNWMYMRMMIX-QFBILLFUSA-N 1 2 351.406 2.629 20 30 FFEDLO N#C[C@@H]1C[N@@H+](CCCC(=O)c2ccccc2)C[C@]12C(=O)Nc1ccccc12 ZINC000450617346 513275671 /nfs/dbraw/zinc/27/56/71/513275671.db2.gz SNXHXVNUKXJTMF-VGSWGCGISA-N 1 2 359.429 2.995 20 30 FFEDLO N#C[C@@H]1C[N@H+](CCCC(=O)c2ccccc2)C[C@]12C(=O)Nc1ccccc12 ZINC000450617346 513275675 /nfs/dbraw/zinc/27/56/75/513275675.db2.gz SNXHXVNUKXJTMF-VGSWGCGISA-N 1 2 359.429 2.995 20 30 FFEDLO CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1[nH]cc[nH+]1 ZINC000450672092 513298149 /nfs/dbraw/zinc/29/81/49/513298149.db2.gz JSEIVZBVKSWWCH-DOMZBBRYSA-N 1 2 371.828 2.555 20 30 FFEDLO C=C(C)[C@H](NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000434369270 513304085 /nfs/dbraw/zinc/30/40/85/513304085.db2.gz ZXESKOIICSLBEW-KDOFPFPSSA-N 1 2 367.440 2.944 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1Cl ZINC000450744693 513322658 /nfs/dbraw/zinc/32/26/58/513322658.db2.gz ANBMARUGKNJZBK-UHFFFAOYSA-N 1 2 370.840 2.715 20 30 FFEDLO COc1ccc(CS(=O)(=O)Cc2cn3cccc(C)c3[nH+]2)cc1C#N ZINC000446944239 513364376 /nfs/dbraw/zinc/36/43/76/513364376.db2.gz QBLIIVAHGJNIFF-UHFFFAOYSA-N 1 2 355.419 2.638 20 30 FFEDLO CN1CC[N@H+](CCNc2c(C#N)cnc3ccc(Cl)cc32)CC1(C)C ZINC000440650110 513371639 /nfs/dbraw/zinc/37/16/39/513371639.db2.gz MKBKJIJZMBIVMF-UHFFFAOYSA-N 1 2 357.889 2.620 20 30 FFEDLO CN1CC[N@@H+](CCNc2c(C#N)cnc3ccc(Cl)cc32)CC1(C)C ZINC000440650110 513371648 /nfs/dbraw/zinc/37/16/48/513371648.db2.gz MKBKJIJZMBIVMF-UHFFFAOYSA-N 1 2 357.889 2.620 20 30 FFEDLO Cc1cc(NCc2ccc(N3CCOCC3)[nH+]c2)c(C#N)cc1[N+](=O)[O-] ZINC000413034263 513397406 /nfs/dbraw/zinc/39/74/06/513397406.db2.gz MFGLEZJCFREWMF-UHFFFAOYSA-N 1 2 353.382 2.619 20 30 FFEDLO C[C@H]1CN(c2ccc(CNc3c(C#N)cccc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000425211567 513455468 /nfs/dbraw/zinc/45/54/68/513455468.db2.gz XQCSAFCNJGPMBV-ZDUSSCGKSA-N 1 2 353.382 2.699 20 30 FFEDLO C[C@@H](C(=O)NCc1ccc(C#N)s1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000421926554 513478720 /nfs/dbraw/zinc/47/87/20/513478720.db2.gz XAESIOXNAIRVNR-AWEZNQCLSA-N 1 2 372.469 2.586 20 30 FFEDLO Cc1cncc(-c2nc(C[N@H+](C)CCOCc3ccc(C#N)cc3)no2)c1 ZINC000451039802 513478904 /nfs/dbraw/zinc/47/89/04/513478904.db2.gz ZSRSOZHTPJEOTM-UHFFFAOYSA-N 1 2 363.421 2.960 20 30 FFEDLO Cc1cncc(-c2nc(C[N@@H+](C)CCOCc3ccc(C#N)cc3)no2)c1 ZINC000451039802 513478914 /nfs/dbraw/zinc/47/89/14/513478914.db2.gz ZSRSOZHTPJEOTM-UHFFFAOYSA-N 1 2 363.421 2.960 20 30 FFEDLO CCOC(=O)[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)Cc2ccccc21 ZINC000441123759 513492645 /nfs/dbraw/zinc/49/26/45/513492645.db2.gz KIRCNGMVTBLKKT-LJQANCHMSA-N 1 2 363.417 2.659 20 30 FFEDLO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)Cc2ccccc21 ZINC000441123759 513492651 /nfs/dbraw/zinc/49/26/51/513492651.db2.gz KIRCNGMVTBLKKT-LJQANCHMSA-N 1 2 363.417 2.659 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000441245312 513519969 /nfs/dbraw/zinc/51/99/69/513519969.db2.gz DXEYCUWHDUVJKO-UHFFFAOYSA-N 1 2 364.405 2.747 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000441245312 513519977 /nfs/dbraw/zinc/51/99/77/513519977.db2.gz DXEYCUWHDUVJKO-UHFFFAOYSA-N 1 2 364.405 2.747 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435252760 513544034 /nfs/dbraw/zinc/54/40/34/513544034.db2.gz WOZOCWXAVRQQHA-UHFFFAOYSA-N 1 2 362.433 2.769 20 30 FFEDLO CC(C)(C)N1CC[C@@H]([NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1=O ZINC000425438059 513565360 /nfs/dbraw/zinc/56/53/60/513565360.db2.gz AAESUGGXCOYQMA-MSOLQXFVSA-N 1 2 374.916 2.922 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000425530080 513622481 /nfs/dbraw/zinc/62/24/81/513622481.db2.gz DJSJXNZSSIZCAE-OAHLLOKOSA-N 1 2 353.447 2.897 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000425530080 513622484 /nfs/dbraw/zinc/62/24/84/513622484.db2.gz DJSJXNZSSIZCAE-OAHLLOKOSA-N 1 2 353.447 2.897 20 30 FFEDLO COc1cc(-c2noc(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)n2)ncn1 ZINC000425539279 513627959 /nfs/dbraw/zinc/62/79/59/513627959.db2.gz TYAVRIXLWOQCCN-LBPRGKRZSA-N 1 2 350.382 2.600 20 30 FFEDLO COc1cc(-c2noc(C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)n2)ncn1 ZINC000425539279 513627963 /nfs/dbraw/zinc/62/79/63/513627963.db2.gz TYAVRIXLWOQCCN-LBPRGKRZSA-N 1 2 350.382 2.600 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c(C#N)c1C ZINC000425555954 513637944 /nfs/dbraw/zinc/63/79/44/513637944.db2.gz RPGLOQPHGJEQRR-SFHVURJKSA-N 1 2 357.454 2.988 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c(C#N)c1C ZINC000425555954 513637950 /nfs/dbraw/zinc/63/79/50/513637950.db2.gz RPGLOQPHGJEQRR-SFHVURJKSA-N 1 2 357.454 2.988 20 30 FFEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000418936402 513694598 /nfs/dbraw/zinc/69/45/98/513694598.db2.gz BTYGDFWAASRPBY-OAQYLSRUSA-N 1 2 370.497 2.732 20 30 FFEDLO COc1ccc([C@H]([NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)c2ccco2)cc1 ZINC000419288975 513765505 /nfs/dbraw/zinc/76/55/05/513765505.db2.gz PVYYAONPRZBIBB-KSSFIOAISA-N 1 2 353.422 2.918 20 30 FFEDLO CCc1nc(CN2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)cs1 ZINC000442815930 513786359 /nfs/dbraw/zinc/78/63/59/513786359.db2.gz WMSLKGRNXSWBLV-UHFFFAOYSA-N 1 2 356.495 2.904 20 30 FFEDLO C[C@H](C(=O)N[C@H](C#N)c1ccc(Br)cc1)[NH+]1CCSCC1 ZINC000442902280 513809447 /nfs/dbraw/zinc/80/94/47/513809447.db2.gz QDDFJEMRMPMTDL-BXUZGUMPSA-N 1 2 368.300 2.567 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000413832988 513837843 /nfs/dbraw/zinc/83/78/43/513837843.db2.gz JPODEBPLMJUJAO-OALUTQOASA-N 1 2 367.497 2.985 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000413836134 513840435 /nfs/dbraw/zinc/84/04/35/513840435.db2.gz OPIBWNFUPQRDBU-PMACEKPBSA-N 1 2 357.498 2.680 20 30 FFEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422591078 513860791 /nfs/dbraw/zinc/86/07/91/513860791.db2.gz QLYXYRAPNMYUDM-UHFFFAOYSA-N 1 2 351.450 2.572 20 30 FFEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000443127334 513880491 /nfs/dbraw/zinc/88/04/91/513880491.db2.gz BAPUXROQEQZZEV-UHFFFAOYSA-N 1 2 372.837 2.876 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(C#N)c1Br)C1CC1 ZINC000451680513 513908390 /nfs/dbraw/zinc/90/83/90/513908390.db2.gz JTVSHTVRWQHANU-CQSZACIVSA-N 1 2 359.227 2.935 20 30 FFEDLO CCC(=O)c1ccc(C(F)(F)F)cc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414125584 513981805 /nfs/dbraw/zinc/98/18/05/513981805.db2.gz NDLDJNWUCOEYPW-ZDUSSCGKSA-N 1 2 358.360 2.883 20 30 FFEDLO CCC(=O)c1ccc(C(F)(F)F)cc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414125584 513981813 /nfs/dbraw/zinc/98/18/13/513981813.db2.gz NDLDJNWUCOEYPW-ZDUSSCGKSA-N 1 2 358.360 2.883 20 30 FFEDLO C=CCC1(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CCCCC1 ZINC000448974434 514001958 /nfs/dbraw/zinc/00/19/58/514001958.db2.gz KKCZKXHEZIXPGE-UHFFFAOYSA-N 1 2 361.530 2.670 20 30 FFEDLO C=CCC1(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CCCCC1 ZINC000448974434 514001964 /nfs/dbraw/zinc/00/19/64/514001964.db2.gz KKCZKXHEZIXPGE-UHFFFAOYSA-N 1 2 361.530 2.670 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000443643693 514011045 /nfs/dbraw/zinc/01/10/45/514011045.db2.gz VZDQAFXSKSOKGQ-KRWDZBQOSA-N 1 2 369.852 2.981 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000443643693 514011055 /nfs/dbraw/zinc/01/10/55/514011055.db2.gz VZDQAFXSKSOKGQ-KRWDZBQOSA-N 1 2 369.852 2.981 20 30 FFEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000416882466 514020146 /nfs/dbraw/zinc/02/01/46/514020146.db2.gz MZVJYGZQQJIHDG-UHFFFAOYSA-N 1 2 370.375 2.809 20 30 FFEDLO N#CCCC[C@@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000431910143 514037899 /nfs/dbraw/zinc/03/78/99/514037899.db2.gz BPUYZCZGARPLIY-GOSISDBHSA-N 1 2 356.470 2.586 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000451936261 514082716 /nfs/dbraw/zinc/08/27/16/514082716.db2.gz UDKIYSRBIYWITR-SNVBAGLBSA-N 1 2 372.372 2.833 20 30 FFEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)c1 ZINC000437411896 514158017 /nfs/dbraw/zinc/15/80/17/514158017.db2.gz KSKWEKSYKAXRME-HNNXBMFYSA-N 1 2 367.453 2.907 20 30 FFEDLO COc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3OC(F)F)CC2)nc1 ZINC000452053434 514163479 /nfs/dbraw/zinc/16/34/79/514163479.db2.gz DDHJMQBLEMAVCG-UHFFFAOYSA-N 1 2 374.391 2.885 20 30 FFEDLO C[C@@H](O)[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000414583982 514193661 /nfs/dbraw/zinc/19/36/61/514193661.db2.gz MMAASAQMWSHGOF-IIBYNOLFSA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@@H](O)[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000414583982 514193663 /nfs/dbraw/zinc/19/36/63/514193663.db2.gz MMAASAQMWSHGOF-IIBYNOLFSA-N 1 2 352.434 2.719 20 30 FFEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)CCCC1 ZINC000449657159 514285518 /nfs/dbraw/zinc/28/55/18/514285518.db2.gz NWPDEJZTVSGBTR-UHFFFAOYSA-N 1 2 355.482 2.566 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)c(Cl)c1 ZINC000444786045 514331852 /nfs/dbraw/zinc/33/18/52/514331852.db2.gz SKSDOQHFRBABLR-KRWDZBQOSA-N 1 2 371.868 2.774 20 30 FFEDLO N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000424165136 514404700 /nfs/dbraw/zinc/40/47/00/514404700.db2.gz DNDSHKVDULOLDW-HZPDHXFCSA-N 1 2 358.490 2.580 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)CC1 ZINC000433223258 514427187 /nfs/dbraw/zinc/42/71/87/514427187.db2.gz NUJKLQIMWYTOAH-LJQANCHMSA-N 1 2 366.465 2.708 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@](C)(c1noc(C)n1)C1CC1 ZINC000433298163 514449810 /nfs/dbraw/zinc/44/98/10/514449810.db2.gz NOSKQMJRKFRKJH-YLJYHZDGSA-N 1 2 357.454 2.761 20 30 FFEDLO C[N@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)CC(C)(C)C#N ZINC000433312193 514454349 /nfs/dbraw/zinc/45/43/49/514454349.db2.gz KVUMCEJRWCOGPD-KRWDZBQOSA-N 1 2 371.481 2.993 20 30 FFEDLO C[N@@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)CC(C)(C)C#N ZINC000433312193 514454354 /nfs/dbraw/zinc/45/43/54/514454354.db2.gz KVUMCEJRWCOGPD-KRWDZBQOSA-N 1 2 371.481 2.993 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421104343 514484776 /nfs/dbraw/zinc/48/47/76/514484776.db2.gz ZXRDWYOKVJYYTK-UHFFFAOYSA-N 1 2 354.410 2.917 20 30 FFEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NCc1cc(-n2cc[nH+]c2)cs1 ZINC000461436748 514617239 /nfs/dbraw/zinc/61/72/39/514617239.db2.gz DJXAWXKETNGNSS-UHFFFAOYSA-N 1 2 361.434 2.729 20 30 FFEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000475335346 514624125 /nfs/dbraw/zinc/62/41/25/514624125.db2.gz QYMLUFAWGINQFL-QGZVFWFLSA-N 1 2 374.897 2.883 20 30 FFEDLO N#Cc1cccc(OC2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)CC2)c1 ZINC000488970080 514655897 /nfs/dbraw/zinc/65/58/97/514655897.db2.gz FZKVAVKTJPVIQX-UHFFFAOYSA-N 1 2 373.416 2.823 20 30 FFEDLO CCCCNC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471003381 514712411 /nfs/dbraw/zinc/71/24/11/514712411.db2.gz DLTRBVBJUVQZNW-YJBOKZPZSA-N 1 2 362.905 2.827 20 30 FFEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000471007642 514714906 /nfs/dbraw/zinc/71/49/06/514714906.db2.gz QKNHSPAGNLYBLZ-IBGZPJMESA-N 1 2 374.916 2.925 20 30 FFEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(C#N)c1 ZINC000461769829 514729364 /nfs/dbraw/zinc/72/93/64/514729364.db2.gz INSKEIJVUUDMRS-QGZVFWFLSA-N 1 2 358.445 2.878 20 30 FFEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000461956986 514805870 /nfs/dbraw/zinc/80/58/70/514805870.db2.gz JFRUAYNJZRWXDK-GWCFXTLKSA-N 1 2 362.231 2.588 20 30 FFEDLO N#CCc1cccc(NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000455917361 514832728 /nfs/dbraw/zinc/83/27/28/514832728.db2.gz JTWBUXHFAIABKU-FQEVSTJZSA-N 1 2 364.449 2.948 20 30 FFEDLO N#CCCCC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000462037557 514845863 /nfs/dbraw/zinc/84/58/63/514845863.db2.gz ILVFLFKXDNBVMD-UHFFFAOYSA-N 1 2 359.861 2.716 20 30 FFEDLO N#CCCCC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000462037557 514845872 /nfs/dbraw/zinc/84/58/72/514845872.db2.gz ILVFLFKXDNBVMD-UHFFFAOYSA-N 1 2 359.861 2.716 20 30 FFEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1CC ZINC000489486130 514865493 /nfs/dbraw/zinc/86/54/93/514865493.db2.gz VZJBWOUVGHWQBW-AWEZNQCLSA-N 1 2 359.474 2.659 20 30 FFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1CC ZINC000489486130 514865500 /nfs/dbraw/zinc/86/55/00/514865500.db2.gz VZJBWOUVGHWQBW-AWEZNQCLSA-N 1 2 359.474 2.659 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccnn3-c3ccccc3)CC2)cc1 ZINC000471599579 514949072 /nfs/dbraw/zinc/94/90/72/514949072.db2.gz UKGZOGAAWMPZDT-UHFFFAOYSA-N 1 2 371.444 2.702 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503194167 514952326 /nfs/dbraw/zinc/95/23/26/514952326.db2.gz MAOSELXCIINSAW-CSODHUTKSA-N 1 2 372.513 2.581 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503194167 514952335 /nfs/dbraw/zinc/95/23/35/514952335.db2.gz MAOSELXCIINSAW-CSODHUTKSA-N 1 2 372.513 2.581 20 30 FFEDLO Cc1cc(C[N@@H+]2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)ccc1C#N ZINC000503212755 514962602 /nfs/dbraw/zinc/96/26/02/514962602.db2.gz QTAJMMRRAFTHAZ-GOSISDBHSA-N 1 2 360.417 2.551 20 30 FFEDLO Cc1cc(C[N@H+]2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)ccc1C#N ZINC000503212755 514962606 /nfs/dbraw/zinc/96/26/06/514962606.db2.gz QTAJMMRRAFTHAZ-GOSISDBHSA-N 1 2 360.417 2.551 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503214900 514963541 /nfs/dbraw/zinc/96/35/41/514963541.db2.gz HRTWLTOZVZSLLM-QZTJIDSGSA-N 1 2 359.514 2.951 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503214900 514963552 /nfs/dbraw/zinc/96/35/52/514963552.db2.gz HRTWLTOZVZSLLM-QZTJIDSGSA-N 1 2 359.514 2.951 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccccc3OC(C)C)CC2)c1C#N ZINC000471822290 515021450 /nfs/dbraw/zinc/02/14/50/515021450.db2.gz ACAVAVPVRJWTHQ-UHFFFAOYSA-N 1 2 353.470 2.710 20 30 FFEDLO C[C@@H](C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1)c1cccc(C#N)c1 ZINC000462386413 515024869 /nfs/dbraw/zinc/02/48/69/515024869.db2.gz AWKBJHDFTFRNQJ-QVKFZJNVSA-N 1 2 371.481 2.584 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000490195091 515136312 /nfs/dbraw/zinc/13/63/12/515136312.db2.gz RILXYDFWYIHRMO-UHFFFAOYSA-N 1 2 364.405 2.747 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000490195091 515136324 /nfs/dbraw/zinc/13/63/24/515136324.db2.gz RILXYDFWYIHRMO-UHFFFAOYSA-N 1 2 364.405 2.747 20 30 FFEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)[C@@H](CC)CN1C(C)=O ZINC000472347360 515238648 /nfs/dbraw/zinc/23/86/48/515238648.db2.gz GPFBHANYDLLFFY-RBUKOAKNSA-N 1 2 370.497 2.655 20 30 FFEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@@H](CC)CN1C(C)=O ZINC000472347360 515238652 /nfs/dbraw/zinc/23/86/52/515238652.db2.gz GPFBHANYDLLFFY-RBUKOAKNSA-N 1 2 370.497 2.655 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)c[nH+]2)C[C@H](C)O1 ZINC000454322786 515398917 /nfs/dbraw/zinc/39/89/17/515398917.db2.gz NPLRXWUENUCWPD-DFGXFYAUSA-N 1 2 371.485 2.577 20 30 FFEDLO C=CCCc1ccccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000505011708 515430357 /nfs/dbraw/zinc/43/03/57/515430357.db2.gz ZEUJSNRATNBLEO-UHFFFAOYSA-N 1 2 356.470 2.885 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000459314915 515464479 /nfs/dbraw/zinc/46/44/79/515464479.db2.gz WODKMGOCIOQVDB-UHFFFAOYSA-N 1 2 356.426 2.691 20 30 FFEDLO C[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000477528553 515492020 /nfs/dbraw/zinc/49/20/20/515492020.db2.gz SXGBGJMHGKVJPF-CYBMUJFWSA-N 1 2 354.376 2.584 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)C1=O ZINC000500022542 515561458 /nfs/dbraw/zinc/56/14/58/515561458.db2.gz BVZIMUAPDDGUJH-MDZRGWNJSA-N 1 2 357.498 2.533 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)C1=O ZINC000500022542 515561469 /nfs/dbraw/zinc/56/14/69/515561469.db2.gz BVZIMUAPDDGUJH-MDZRGWNJSA-N 1 2 357.498 2.533 20 30 FFEDLO CC(C)(C)[C@@](C)(C#N)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000464170072 515731192 /nfs/dbraw/zinc/73/11/92/515731192.db2.gz QOBJKSWHEUKOOI-HXUWFJFHSA-N 1 2 367.453 2.970 20 30 FFEDLO N#C[C@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)C1CCCCC1 ZINC000494092985 515733161 /nfs/dbraw/zinc/73/31/61/515733161.db2.gz VLBWCNCEHJLWEU-KRWDZBQOSA-N 1 2 358.467 2.682 20 30 FFEDLO CCOC(=O)c1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000506101948 515782057 /nfs/dbraw/zinc/78/20/57/515782057.db2.gz VSAIUBPDSHZKET-UHFFFAOYSA-N 1 2 353.422 2.646 20 30 FFEDLO CCn1cc(C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCO)cn1 ZINC000482879576 515834570 /nfs/dbraw/zinc/83/45/70/515834570.db2.gz YLHFXGXVLLRFAH-UHFFFAOYSA-N 1 2 367.371 2.648 20 30 FFEDLO CCn1cc(C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCO)cn1 ZINC000482879576 515834577 /nfs/dbraw/zinc/83/45/77/515834577.db2.gz YLHFXGXVLLRFAH-UHFFFAOYSA-N 1 2 367.371 2.648 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cnn(-c4ccc(F)cc4)c3)CC2)c1 ZINC000506689118 515954549 /nfs/dbraw/zinc/95/45/49/515954549.db2.gz MVIYBHOZTPZNNE-UHFFFAOYSA-N 1 2 362.412 2.600 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000464798757 515964936 /nfs/dbraw/zinc/96/49/36/515964936.db2.gz KSYWRBZZSJIGSW-LJQANCHMSA-N 1 2 359.495 2.505 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000464798757 515964943 /nfs/dbraw/zinc/96/49/43/515964943.db2.gz KSYWRBZZSJIGSW-LJQANCHMSA-N 1 2 359.495 2.505 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000506789685 515986534 /nfs/dbraw/zinc/98/65/34/515986534.db2.gz JJXVEDZAHUIOFF-UHFFFAOYSA-N 1 2 369.490 2.627 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000483250873 516003876 /nfs/dbraw/zinc/00/38/76/516003876.db2.gz BYVMEPSKVLUGGW-FZMZJTMJSA-N 1 2 358.269 2.625 20 30 FFEDLO C[C@H]1C[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)S1=O ZINC000483445489 516093598 /nfs/dbraw/zinc/09/35/98/516093598.db2.gz WZFNPCFYQCOEMW-HOTGVXAUSA-N 1 2 356.495 2.805 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCCc1ccccc1 ZINC000512181104 516187395 /nfs/dbraw/zinc/18/73/95/516187395.db2.gz OIXQPVDPYIXFCC-KRWDZBQOSA-N 1 2 356.466 2.897 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCCc1ccccc1 ZINC000512181104 516187403 /nfs/dbraw/zinc/18/74/03/516187403.db2.gz OIXQPVDPYIXFCC-KRWDZBQOSA-N 1 2 356.466 2.897 20 30 FFEDLO C[N@H+](CCc1nc(-c2ccccc2)no1)CC(=O)Nc1sccc1C#N ZINC000512196649 516193082 /nfs/dbraw/zinc/19/30/82/516193082.db2.gz OYYDYMJHIHVLDE-UHFFFAOYSA-N 1 2 367.434 2.783 20 30 FFEDLO C[N@@H+](CCc1nc(-c2ccccc2)no1)CC(=O)Nc1sccc1C#N ZINC000512196649 516193087 /nfs/dbraw/zinc/19/30/87/516193087.db2.gz OYYDYMJHIHVLDE-UHFFFAOYSA-N 1 2 367.434 2.783 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1nn(C(C)C)cc1C#N ZINC000483733547 516193762 /nfs/dbraw/zinc/19/37/62/516193762.db2.gz VZXZVRWYBXQAJT-UHFFFAOYSA-N 1 2 358.352 2.911 20 30 FFEDLO N#Cc1ccc(OC2CN(c3[nH+]cnc4c3cnn4-c3ccccc3)C2)cc1 ZINC000460964769 516291760 /nfs/dbraw/zinc/29/17/60/516291760.db2.gz APBUPWDMKBVTAH-UHFFFAOYSA-N 1 2 368.400 2.955 20 30 FFEDLO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3cccc(C#N)c3C)CC2)cn1 ZINC000512730955 516339117 /nfs/dbraw/zinc/33/91/17/516339117.db2.gz VBVRHRGCVDLKRM-UHFFFAOYSA-N 1 2 365.481 2.821 20 30 FFEDLO CCCn1cc(C[N@H+]2CCCN(C(=O)c3cccc(C#N)c3C)CC2)cn1 ZINC000512730955 516339123 /nfs/dbraw/zinc/33/91/23/516339123.db2.gz VBVRHRGCVDLKRM-UHFFFAOYSA-N 1 2 365.481 2.821 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000554244203 516340994 /nfs/dbraw/zinc/34/09/94/516340994.db2.gz UWFIBZOSZZOCDS-LJQANCHMSA-N 1 2 372.432 2.915 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000554244203 516341002 /nfs/dbraw/zinc/34/10/02/516341002.db2.gz UWFIBZOSZZOCDS-LJQANCHMSA-N 1 2 372.432 2.915 20 30 FFEDLO CCC[N@H+](CC(=O)NC1(C#N)CCC1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000554263214 516348598 /nfs/dbraw/zinc/34/85/98/516348598.db2.gz HVZQXJCQHJHRNE-INIZCTEOSA-N 1 2 356.470 2.597 20 30 FFEDLO CCC[N@@H+](CC(=O)NC1(C#N)CCC1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000554263214 516348604 /nfs/dbraw/zinc/34/86/04/516348604.db2.gz HVZQXJCQHJHRNE-INIZCTEOSA-N 1 2 356.470 2.597 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCO[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000528363250 516379742 /nfs/dbraw/zinc/37/97/42/516379742.db2.gz CUYOPOBAPAENKD-HZPDHXFCSA-N 1 2 365.271 2.877 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCO[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000528363250 516379754 /nfs/dbraw/zinc/37/97/54/516379754.db2.gz CUYOPOBAPAENKD-HZPDHXFCSA-N 1 2 365.271 2.877 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000528369571 516384704 /nfs/dbraw/zinc/38/47/04/516384704.db2.gz SJIFRWHVFOJGQK-OXJNMPFZSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000528369571 516384713 /nfs/dbraw/zinc/38/47/13/516384713.db2.gz SJIFRWHVFOJGQK-OXJNMPFZSA-N 1 2 356.397 2.511 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000512930344 516418331 /nfs/dbraw/zinc/41/83/31/516418331.db2.gz RRGMHEVIYCPGPN-HNNXBMFYSA-N 1 2 352.413 2.540 20 30 FFEDLO N#Cc1ccc2[nH+]cc(CNc3cc(F)c(N4CCOCC4)cc3F)n2c1 ZINC000513041417 516450471 /nfs/dbraw/zinc/45/04/71/516450471.db2.gz PRFBHZXBUOCABC-UHFFFAOYSA-N 1 2 369.375 2.933 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(Br)c(F)c2F)C1=O ZINC000528489425 516475578 /nfs/dbraw/zinc/47/55/78/516475578.db2.gz BRCJSGABAIQTGX-GFCCVEGCSA-N 1 2 359.214 2.946 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Br)c(F)c2F)C1=O ZINC000528489425 516475586 /nfs/dbraw/zinc/47/55/86/516475586.db2.gz BRCJSGABAIQTGX-GFCCVEGCSA-N 1 2 359.214 2.946 20 30 FFEDLO C=CCOc1cccc(NC(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000547683328 516486039 /nfs/dbraw/zinc/48/60/39/516486039.db2.gz BQACYKRICBHAFD-QGZVFWFLSA-N 1 2 355.442 2.885 20 30 FFEDLO N#Cc1ccncc1O[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000528519485 516498122 /nfs/dbraw/zinc/49/81/22/516498122.db2.gz NQFATUUTYMLGEB-AWEZNQCLSA-N 1 2 374.803 2.838 20 30 FFEDLO N#Cc1ccncc1O[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000528519485 516498130 /nfs/dbraw/zinc/49/81/30/516498130.db2.gz NQFATUUTYMLGEB-AWEZNQCLSA-N 1 2 374.803 2.838 20 30 FFEDLO Cc1nc(NCc2cccc(C(=O)NCC(C)(C)CCC#N)c2)cc[nH+]1 ZINC000554662848 516574244 /nfs/dbraw/zinc/57/42/44/516574244.db2.gz ZEOZSFYWTHOTOI-UHFFFAOYSA-N 1 2 351.454 2.879 20 30 FFEDLO C=CCOc1ccc(CNC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000558111383 516599512 /nfs/dbraw/zinc/59/95/12/516599512.db2.gz FVADHLSZTPWNOX-UHFFFAOYSA-N 1 2 355.438 2.872 20 30 FFEDLO C=CCCOCCNC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000536040084 516603917 /nfs/dbraw/zinc/60/39/17/516603917.db2.gz ZASNQQZQIGSZAP-UHFFFAOYSA-N 1 2 351.878 2.760 20 30 FFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000551425821 516706094 /nfs/dbraw/zinc/70/60/94/516706094.db2.gz OOKYZFIFPBCUCC-UHFFFAOYSA-N 1 2 351.332 2.755 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CCC(C)(C)C#N)c1ccc(F)cc1 ZINC000558432848 516739834 /nfs/dbraw/zinc/73/98/34/516739834.db2.gz KZLULJZULASBAD-HNNXBMFYSA-N 1 2 364.446 2.508 20 30 FFEDLO COCCO[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000561869223 516806709 /nfs/dbraw/zinc/80/67/09/516806709.db2.gz AJGZQIUQTLNVTA-MRXNPFEDSA-N 1 2 353.260 2.948 20 30 FFEDLO COCCO[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000561869223 516806714 /nfs/dbraw/zinc/80/67/14/516806714.db2.gz AJGZQIUQTLNVTA-MRXNPFEDSA-N 1 2 353.260 2.948 20 30 FFEDLO C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000514007900 516832056 /nfs/dbraw/zinc/83/20/56/516832056.db2.gz VJYWSPQFBGZBCU-MRXNPFEDSA-N 1 2 372.488 2.999 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OC)cc2Br)C1=O ZINC000561956040 516848180 /nfs/dbraw/zinc/84/81/80/516848180.db2.gz BKIJQGBYKJLDAV-HNNXBMFYSA-N 1 2 353.260 2.676 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OC)cc2Br)C1=O ZINC000561956040 516848187 /nfs/dbraw/zinc/84/81/87/516848187.db2.gz BKIJQGBYKJLDAV-HNNXBMFYSA-N 1 2 353.260 2.676 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000514169203 516887495 /nfs/dbraw/zinc/88/74/95/516887495.db2.gz GCYXRLGPZXTERD-DLBZAZTESA-N 1 2 364.449 2.626 20 30 FFEDLO COc1ccc([C@H](CNc2nccc(C)c2C#N)[NH+]2CCOCC2)cc1 ZINC000541280080 516964855 /nfs/dbraw/zinc/96/48/55/516964855.db2.gz OCGORHWFTRJSGU-IBGZPJMESA-N 1 2 352.438 2.756 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1ccc(Oc2ccccc2)cc1 ZINC000558903112 516995711 /nfs/dbraw/zinc/99/57/11/516995711.db2.gz XCRGWNDNQVRNGU-HXUWFJFHSA-N 1 2 353.422 2.818 20 30 FFEDLO C=C(C)Cn1c(-c2ccoc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000558962871 517020545 /nfs/dbraw/zinc/02/05/45/517020545.db2.gz WJXJMEGEFZOPGH-UHFFFAOYSA-N 1 2 365.441 2.539 20 30 FFEDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(N2CCCC2=O)c1 ZINC000537109149 517039858 /nfs/dbraw/zinc/03/98/58/517039858.db2.gz ZVYCJYGSOKHROW-VLIAUNLRSA-N 1 2 362.433 2.562 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000562379303 517064627 /nfs/dbraw/zinc/06/46/27/517064627.db2.gz BXGWNBLDSOXNPM-UHFFFAOYSA-N 1 2 358.348 2.597 20 30 FFEDLO CCOc1ccc(C#N)cc1NC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000548667007 517127281 /nfs/dbraw/zinc/12/72/81/517127281.db2.gz SSULERFNLAEDFM-MRXNPFEDSA-N 1 2 368.441 2.591 20 30 FFEDLO COc1cc(C#N)ccc1NC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000545294993 517156515 /nfs/dbraw/zinc/15/65/15/517156515.db2.gz HTGWBFFHKAOZJX-UHFFFAOYSA-N 1 2 367.331 2.990 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000541685822 517173045 /nfs/dbraw/zinc/17/30/45/517173045.db2.gz AOJXRZFJEZPMIB-OCCSQVGLSA-N 1 2 373.432 2.843 20 30 FFEDLO COC(=O)c1ccc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c(C#N)n1 ZINC000519784145 517181476 /nfs/dbraw/zinc/18/14/76/517181476.db2.gz ZLRTYZVWHBCHJO-HDJSIYSDSA-N 1 2 351.410 2.970 20 30 FFEDLO COc1ccc2ccc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)cc2c1 ZINC000559357228 517210864 /nfs/dbraw/zinc/21/08/64/517210864.db2.gz NGDCNFNXHDFWCZ-UHFFFAOYSA-N 1 2 367.449 2.536 20 30 FFEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000525885885 517216346 /nfs/dbraw/zinc/21/63/46/517216346.db2.gz CFDMSDZKFUBNFR-UHFFFAOYSA-N 1 2 365.481 2.792 20 30 FFEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000525885885 517216354 /nfs/dbraw/zinc/21/63/54/517216354.db2.gz CFDMSDZKFUBNFR-UHFFFAOYSA-N 1 2 365.481 2.792 20 30 FFEDLO C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000545502192 517270067 /nfs/dbraw/zinc/27/00/67/517270067.db2.gz CMGWHDFRISQORU-CYBMUJFWSA-N 1 2 366.450 2.948 20 30 FFEDLO COc1ccc(Cl)cc1N1C(=O)C[C@@H]([NH+]2CCC(CC#N)CC2)C1=O ZINC000541905958 517285545 /nfs/dbraw/zinc/28/55/45/517285545.db2.gz ZSTZHAWGMQDARP-OAHLLOKOSA-N 1 2 361.829 2.606 20 30 FFEDLO N#Cc1cc(NC(=O)NCc2ccc(N)[nH+]c2)ccc1OCC(F)(F)F ZINC000548953005 517325426 /nfs/dbraw/zinc/32/54/26/517325426.db2.gz AANYFAVEFHHXIO-UHFFFAOYSA-N 1 2 365.315 2.629 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000515469109 517364658 /nfs/dbraw/zinc/36/46/58/517364658.db2.gz SGWKBUIJWCEITR-HNONPPJISA-N 1 2 365.424 2.600 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000515469109 517364668 /nfs/dbraw/zinc/36/46/68/517364668.db2.gz SGWKBUIJWCEITR-HNONPPJISA-N 1 2 365.424 2.600 20 30 FFEDLO N#Cc1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cnc1C(F)(F)F ZINC000562852630 517457782 /nfs/dbraw/zinc/45/77/82/517457782.db2.gz HMZUDWJMHBDMKK-CQSZACIVSA-N 1 2 362.311 2.661 20 30 FFEDLO CC[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(OC)cc1OC ZINC000521194244 517643241 /nfs/dbraw/zinc/64/32/41/517643241.db2.gz BMGIZLHWRAGFSK-UHFFFAOYSA-N 1 2 359.470 2.868 20 30 FFEDLO CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(OC)cc1OC ZINC000521194244 517643250 /nfs/dbraw/zinc/64/32/50/517643250.db2.gz BMGIZLHWRAGFSK-UHFFFAOYSA-N 1 2 359.470 2.868 20 30 FFEDLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000563153912 517696707 /nfs/dbraw/zinc/69/67/07/517696707.db2.gz GMGHRPHSKWYOCT-SJLPKXTDSA-N 1 2 367.453 2.545 20 30 FFEDLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000563153912 517696709 /nfs/dbraw/zinc/69/67/09/517696709.db2.gz GMGHRPHSKWYOCT-SJLPKXTDSA-N 1 2 367.453 2.545 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000538663825 517707480 /nfs/dbraw/zinc/70/74/80/517707480.db2.gz GSYDQYYWXMOUPB-HOCLYGCPSA-N 1 2 373.526 2.957 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000538663825 517707490 /nfs/dbraw/zinc/70/74/90/517707490.db2.gz GSYDQYYWXMOUPB-HOCLYGCPSA-N 1 2 373.526 2.957 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000538663825 517707497 /nfs/dbraw/zinc/70/74/97/517707497.db2.gz GSYDQYYWXMOUPB-HOCLYGCPSA-N 1 2 373.526 2.957 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000538663825 517707506 /nfs/dbraw/zinc/70/75/06/517707506.db2.gz GSYDQYYWXMOUPB-HOCLYGCPSA-N 1 2 373.526 2.957 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000538663825 517707518 /nfs/dbraw/zinc/70/75/18/517707518.db2.gz GSYDQYYWXMOUPB-HOCLYGCPSA-N 1 2 373.526 2.957 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000538663825 517707523 /nfs/dbraw/zinc/70/75/23/517707523.db2.gz GSYDQYYWXMOUPB-HOCLYGCPSA-N 1 2 373.526 2.957 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000563260790 517775821 /nfs/dbraw/zinc/77/58/21/517775821.db2.gz WGZHFUAQFXHALG-ZWKOTPCHSA-N 1 2 362.433 2.841 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCOc1ccccc1Br ZINC000516774121 517839328 /nfs/dbraw/zinc/83/93/28/517839328.db2.gz HQVRZGZTXOUNHZ-INIZCTEOSA-N 1 2 368.275 2.568 20 30 FFEDLO Cc1cc(Br)cn2cc(CCNc3cnc(C#N)cn3)[nH+]c12 ZINC000543032935 517875685 /nfs/dbraw/zinc/87/56/85/517875685.db2.gz MGAPNYMDXUHELK-UHFFFAOYSA-N 1 2 357.215 2.722 20 30 FFEDLO COC(=O)c1ccc([C@@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000550156549 517897014 /nfs/dbraw/zinc/89/70/14/517897014.db2.gz AIJMFTQAFSNEMQ-OAHLLOKOSA-N 1 2 353.422 2.817 20 30 FFEDLO COC(=O)c1ccc([C@@H](C)[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000550156549 517897021 /nfs/dbraw/zinc/89/70/21/517897021.db2.gz AIJMFTQAFSNEMQ-OAHLLOKOSA-N 1 2 353.422 2.817 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546918317 517921881 /nfs/dbraw/zinc/92/18/81/517921881.db2.gz CGGPEMFAYSOLRL-CQSZACIVSA-N 1 2 369.856 2.756 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+]([C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000560700812 517975943 /nfs/dbraw/zinc/97/59/43/517975943.db2.gz OUVBWULWMDQYTJ-HXUWFJFHSA-N 1 2 364.424 2.625 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000550326432 517997629 /nfs/dbraw/zinc/99/76/29/517997629.db2.gz AJKJLYZGMBSYBC-KGLIPLIRSA-N 1 2 357.479 2.920 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000517212279 518064385 /nfs/dbraw/zinc/06/43/85/518064385.db2.gz FKONGRIGGRETOF-UHFFFAOYSA-N 1 2 354.841 2.864 20 30 FFEDLO CC#CCNC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCOC(C)(C)C1 ZINC000534941744 518090501 /nfs/dbraw/zinc/09/05/01/518090501.db2.gz BGRMJYNCLXEUIK-QGZVFWFLSA-N 1 2 363.889 2.814 20 30 FFEDLO CC#CCNC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCOC(C)(C)C1 ZINC000534941744 518090510 /nfs/dbraw/zinc/09/05/10/518090510.db2.gz BGRMJYNCLXEUIK-QGZVFWFLSA-N 1 2 363.889 2.814 20 30 FFEDLO COc1nc2ccccc2cc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000535069078 518144285 /nfs/dbraw/zinc/14/42/85/518144285.db2.gz RNILLZGAVRVIJH-UHFFFAOYSA-N 1 2 359.433 2.832 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2[C@H](C(=O)OC)C[C@@H]3CCCC[C@@H]32)c1C#N ZINC000535222676 518167449 /nfs/dbraw/zinc/16/74/49/518167449.db2.gz XDHZBETYAPXXIH-KKXDTOCCSA-N 1 2 356.422 2.651 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2[C@H](C(=O)OC)C[C@@H]3CCCC[C@@H]32)c1C#N ZINC000535222676 518167452 /nfs/dbraw/zinc/16/74/52/518167452.db2.gz XDHZBETYAPXXIH-KKXDTOCCSA-N 1 2 356.422 2.651 20 30 FFEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000522833041 518168204 /nfs/dbraw/zinc/16/82/04/518168204.db2.gz GALICTYULAHWRJ-INIZCTEOSA-N 1 2 367.424 2.982 20 30 FFEDLO C=C(C)COc1cc(C[NH+]2CCN(Cc3ncc[nH]3)CC2)ccc1OC ZINC000539826649 518169145 /nfs/dbraw/zinc/16/91/45/518169145.db2.gz YDCIFTKODRVTHJ-UHFFFAOYSA-N 1 2 356.470 2.691 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccn(-c4ccccc4F)n3)C2)nc1 ZINC000563949637 518243388 /nfs/dbraw/zinc/24/33/88/518243388.db2.gz KWVODRYJEIDMKN-QGZVFWFLSA-N 1 2 363.396 2.931 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccn(-c4ccccc4F)n3)C2)nc1 ZINC000563949637 518243395 /nfs/dbraw/zinc/24/33/95/518243395.db2.gz KWVODRYJEIDMKN-QGZVFWFLSA-N 1 2 363.396 2.931 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC=C(c3ccccn3)C2)C1=O ZINC000564344786 518408954 /nfs/dbraw/zinc/40/89/54/518408954.db2.gz XYCORXXNPIGUQQ-KRWDZBQOSA-N 1 2 350.447 2.909 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC=C(c3ccccn3)C2)C1=O ZINC000564344786 518408958 /nfs/dbraw/zinc/40/89/58/518408958.db2.gz XYCORXXNPIGUQQ-KRWDZBQOSA-N 1 2 350.447 2.909 20 30 FFEDLO Cc1nsc(N2CCN(Cc3c[nH+]c4ccc(Cl)cn34)CC2)c1C#N ZINC000581698657 518411643 /nfs/dbraw/zinc/41/16/43/518411643.db2.gz QCMKYVHAUIAXKY-UHFFFAOYSA-N 1 2 372.885 2.947 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC=C(c3ccccc3)C2)nc1 ZINC000581848166 518465988 /nfs/dbraw/zinc/46/59/88/518465988.db2.gz OFTCULYTEYRRAP-UHFFFAOYSA-N 1 2 353.447 2.516 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC=C(c3ccccc3)C2)nc1 ZINC000581848166 518465995 /nfs/dbraw/zinc/46/59/95/518465995.db2.gz OFTCULYTEYRRAP-UHFFFAOYSA-N 1 2 353.447 2.516 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)c2cc(F)ccc2C[NH2+]1 ZINC000564669024 518555615 /nfs/dbraw/zinc/55/56/15/518555615.db2.gz ZZBQQWKHMUDZAG-CYBMUJFWSA-N 1 2 359.426 2.525 20 30 FFEDLO C=CC[C@H]1N(C(=O)C(=O)NCc2cn3ccc(C)cc3[nH+]2)CCCC1(C)C ZINC000579504137 518712505 /nfs/dbraw/zinc/71/25/05/518712505.db2.gz FJZGQLGMEMELKI-QGZVFWFLSA-N 1 2 368.481 2.852 20 30 FFEDLO COc1ccc(C#N)cc1NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000582368361 518721277 /nfs/dbraw/zinc/72/12/77/518721277.db2.gz GIICOVFKWXWBQS-NSHDSACASA-N 1 2 352.316 2.975 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000565050369 518763147 /nfs/dbraw/zinc/76/31/47/518763147.db2.gz ATGFXGMXOHJCEK-FQEVSTJZSA-N 1 2 356.470 2.779 20 30 FFEDLO C[C@@H](CC(=O)NC1CCC(Oc2ncccc2C#N)CC1)n1cc[nH+]c1 ZINC000565053259 518764135 /nfs/dbraw/zinc/76/41/35/518764135.db2.gz ZFVZCMJBDOTKBY-OOHWJJMZSA-N 1 2 353.426 2.607 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)n(C)c1C ZINC000579622694 518769846 /nfs/dbraw/zinc/76/98/46/518769846.db2.gz ZNUWUNBPFFNKOE-FQEVSTJZSA-N 1 2 366.465 2.503 20 30 FFEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nccs1 ZINC000582514560 518789645 /nfs/dbraw/zinc/78/96/45/518789645.db2.gz LZEPWXODQZFCEA-KRWDZBQOSA-N 1 2 369.494 2.993 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)Cc2ccc(CC#N)cc2)c1C ZINC000573797569 518841022 /nfs/dbraw/zinc/84/10/22/518841022.db2.gz FELUFZTVAOOCED-UHFFFAOYSA-N 1 2 373.478 2.735 20 30 FFEDLO C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000565398912 518933649 /nfs/dbraw/zinc/93/36/49/518933649.db2.gz VJQOOOOLRUVBSA-CRAIPNDOSA-N 1 2 354.498 2.724 20 30 FFEDLO C=CCCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000579995679 518955330 /nfs/dbraw/zinc/95/53/30/518955330.db2.gz XCZVRSCMAHSAIR-IRXDYDNUSA-N 1 2 363.889 2.674 20 30 FFEDLO C=CCCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000579995679 518955332 /nfs/dbraw/zinc/95/53/32/518955332.db2.gz XCZVRSCMAHSAIR-IRXDYDNUSA-N 1 2 363.889 2.674 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccccc1C(=O)Nc1ccccc1 ZINC000568305049 518970711 /nfs/dbraw/zinc/97/07/11/518970711.db2.gz LEBVIMRGOOACTG-KRWDZBQOSA-N 1 2 353.422 2.524 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccccc1C(=O)Nc1ccccc1 ZINC000568305049 518970719 /nfs/dbraw/zinc/97/07/19/518970719.db2.gz LEBVIMRGOOACTG-KRWDZBQOSA-N 1 2 353.422 2.524 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000568358473 518998363 /nfs/dbraw/zinc/99/83/63/518998363.db2.gz WBHMXLAVSVBECB-LTIDMASMSA-N 1 2 367.852 2.867 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000568358473 518998368 /nfs/dbraw/zinc/99/83/68/518998368.db2.gz WBHMXLAVSVBECB-LTIDMASMSA-N 1 2 367.852 2.867 20 30 FFEDLO N#Cc1csc(C[NH2+]CC(=O)Nc2cccc(Br)c2)n1 ZINC000583172314 519111706 /nfs/dbraw/zinc/11/17/06/519111706.db2.gz BMDWBVZZZSAAQQ-UHFFFAOYSA-N 1 2 351.229 2.506 20 30 FFEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)cc1C ZINC000590013257 519129377 /nfs/dbraw/zinc/12/93/77/519129377.db2.gz MOJIJWJAZATQOJ-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO CC1(C)C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000590014351 519129526 /nfs/dbraw/zinc/12/95/26/519129526.db2.gz SUJQEDCEJBQRBG-GDBMZVCRSA-N 1 2 372.387 2.534 20 30 FFEDLO CC1(C)C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000590014351 519129536 /nfs/dbraw/zinc/12/95/36/519129536.db2.gz SUJQEDCEJBQRBG-GDBMZVCRSA-N 1 2 372.387 2.534 20 30 FFEDLO N#CCc1ccc(CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000565889233 519182970 /nfs/dbraw/zinc/18/29/70/519182970.db2.gz HBOIGHVCARHWST-UHFFFAOYSA-N 1 2 351.332 2.511 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000590601252 519283006 /nfs/dbraw/zinc/28/30/06/519283006.db2.gz RWZXPKOZSDQTBJ-QGZVFWFLSA-N 1 2 372.432 2.567 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000590601252 519283015 /nfs/dbraw/zinc/28/30/15/519283015.db2.gz RWZXPKOZSDQTBJ-QGZVFWFLSA-N 1 2 372.432 2.567 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000583548352 519305025 /nfs/dbraw/zinc/30/50/25/519305025.db2.gz GOLWETNBJQMEBT-NXHRZFHOSA-N 1 2 358.486 2.842 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000568964268 519306876 /nfs/dbraw/zinc/30/68/76/519306876.db2.gz FUDADMWJOHHETI-PMACEKPBSA-N 1 2 353.466 2.574 20 30 FFEDLO CCOC(=O)c1cc2cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc2s1 ZINC000566124960 519318455 /nfs/dbraw/zinc/31/84/55/519318455.db2.gz LXANMCTZAKRXCQ-HNNXBMFYSA-N 1 2 361.467 2.696 20 30 FFEDLO CCOC(=O)c1cc2cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc2s1 ZINC000566124960 519318461 /nfs/dbraw/zinc/31/84/61/519318461.db2.gz LXANMCTZAKRXCQ-HNNXBMFYSA-N 1 2 361.467 2.696 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)c(OC(F)F)c1 ZINC000571946036 519357956 /nfs/dbraw/zinc/35/79/56/519357956.db2.gz VRSHRJJUJYUVJJ-BRWVUGGUSA-N 1 2 366.408 2.912 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)c(OC(F)F)c1 ZINC000571946036 519357961 /nfs/dbraw/zinc/35/79/61/519357961.db2.gz VRSHRJJUJYUVJJ-BRWVUGGUSA-N 1 2 366.408 2.912 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000578016688 519373937 /nfs/dbraw/zinc/37/39/37/519373937.db2.gz HQCMHNUHMMQAEH-XEZPLFJOSA-N 1 2 355.360 2.649 20 30 FFEDLO N#Cc1cc(S(=O)(=O)Nc2c[nH+]c3n2CCCC3)ccc1C(F)(F)F ZINC000578149957 519444347 /nfs/dbraw/zinc/44/43/47/519444347.db2.gz QTAIKFNSOGNREL-UHFFFAOYSA-N 1 2 370.356 2.911 20 30 FFEDLO N#C[C@]1(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC12CCCC2 ZINC000572209445 519495032 /nfs/dbraw/zinc/49/50/32/519495032.db2.gz GTYFFPUFSHKHPG-NRFANRHFSA-N 1 2 370.472 2.538 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC000575127907 519515886 /nfs/dbraw/zinc/51/58/86/519515886.db2.gz UIJGOGKYJAJVPF-SFHVURJKSA-N 1 2 360.364 2.726 20 30 FFEDLO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1c[nH+]cn1C ZINC000566557474 519551092 /nfs/dbraw/zinc/55/10/92/519551092.db2.gz GFUZKDJVSHUUTF-LBPRGKRZSA-N 1 2 350.344 2.922 20 30 FFEDLO N#CCCN1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000602847899 519924060 /nfs/dbraw/zinc/92/40/60/519924060.db2.gz UWJNOLYVVIIJSF-UHFFFAOYSA-N 1 2 351.410 2.937 20 30 FFEDLO CCC[C@H](NC(=O)[C@H](C)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1)c1ccccc1 ZINC000602856691 519928442 /nfs/dbraw/zinc/92/84/42/519928442.db2.gz MBMKXSZZMVBMRD-XSYGEPLQSA-N 1 2 356.514 2.951 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602859201 519930663 /nfs/dbraw/zinc/93/06/63/519930663.db2.gz XIPDOGKMVQALSM-HZSPNIEDSA-N 1 2 368.403 2.951 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602859201 519930668 /nfs/dbraw/zinc/93/06/68/519930668.db2.gz XIPDOGKMVQALSM-HZSPNIEDSA-N 1 2 368.403 2.951 20 30 FFEDLO CC(C)c1nnc(CC2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)[nH]1 ZINC000602868134 519938505 /nfs/dbraw/zinc/93/85/05/519938505.db2.gz ZLZUGTWWFLZVFT-MGPUTAFESA-N 1 2 374.533 2.626 20 30 FFEDLO CC(C)c1nc(CC2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)n[nH]1 ZINC000602868134 519938511 /nfs/dbraw/zinc/93/85/11/519938511.db2.gz ZLZUGTWWFLZVFT-MGPUTAFESA-N 1 2 374.533 2.626 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC=C(c3cnn(C)c3)C2)c(C#N)c1C ZINC000602890034 519953098 /nfs/dbraw/zinc/95/30/98/519953098.db2.gz YILAXDBGBDZNBL-CYBMUJFWSA-N 1 2 353.426 2.618 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC=C(c3cnn(C)c3)C2)c(C#N)c1C ZINC000602890034 519953107 /nfs/dbraw/zinc/95/31/07/519953107.db2.gz YILAXDBGBDZNBL-CYBMUJFWSA-N 1 2 353.426 2.618 20 30 FFEDLO CCn1nc(C)c(C[N@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000602925235 519976031 /nfs/dbraw/zinc/97/60/31/519976031.db2.gz HWHLLFJXWAWHEU-IBGZPJMESA-N 1 2 351.454 2.629 20 30 FFEDLO CCn1nc(C)c(C[N@@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000602925235 519976036 /nfs/dbraw/zinc/97/60/36/519976036.db2.gz HWHLLFJXWAWHEU-IBGZPJMESA-N 1 2 351.454 2.629 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(Oc3ccccc3F)CC2)cc1 ZINC000602950206 519989414 /nfs/dbraw/zinc/98/94/14/519989414.db2.gz ZAMQNNKSTXDQFX-IBGZPJMESA-N 1 2 353.397 2.767 20 30 FFEDLO C[N@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)[C@H]1CCC[C@H]1C#N ZINC000602974770 520000281 /nfs/dbraw/zinc/00/02/81/520000281.db2.gz TXDWYOBSLACTKT-HOCLYGCPSA-N 1 2 351.397 2.571 20 30 FFEDLO C[N@@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)[C@H]1CCC[C@H]1C#N ZINC000602974770 520000285 /nfs/dbraw/zinc/00/02/85/520000285.db2.gz TXDWYOBSLACTKT-HOCLYGCPSA-N 1 2 351.397 2.571 20 30 FFEDLO CCOc1cc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)nc2nc(C(F)(F)F)nn21 ZINC000602980894 520005703 /nfs/dbraw/zinc/00/57/03/520005703.db2.gz XATDRPLHRGYUCJ-PWSUYJOCSA-N 1 2 368.363 2.666 20 30 FFEDLO CCOc1cc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)nc2nc(C(F)(F)F)nn21 ZINC000602980894 520005711 /nfs/dbraw/zinc/00/57/11/520005711.db2.gz XATDRPLHRGYUCJ-PWSUYJOCSA-N 1 2 368.363 2.666 20 30 FFEDLO CCOC(=O)c1cccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)n1 ZINC000600113949 520056065 /nfs/dbraw/zinc/05/60/65/520056065.db2.gz ZVIMOHSTHJCTMQ-UHFFFAOYSA-N 1 2 368.412 2.591 20 30 FFEDLO Cc1ccccc1CC1C[NH+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000612677829 520085711 /nfs/dbraw/zinc/08/57/11/520085711.db2.gz FNWXVYAFPCLUQV-UHFFFAOYSA-N 1 2 354.475 2.815 20 30 FFEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccnc(C#N)c3)CC2)c1 ZINC000603131529 520096649 /nfs/dbraw/zinc/09/66/49/520096649.db2.gz PRRHMZOVDJOHOY-HNNXBMFYSA-N 1 2 365.437 2.873 20 30 FFEDLO Cc1cccn2cc(CC(=O)N3CCCN(c4ccccc4C#N)CC3)[nH+]c12 ZINC000608783255 520125811 /nfs/dbraw/zinc/12/58/11/520125811.db2.gz QNOMAQQGAPMVHA-UHFFFAOYSA-N 1 2 373.460 2.796 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2cn(-c3ccccc3)nn2)CC1 ZINC000608856915 520145647 /nfs/dbraw/zinc/14/56/47/520145647.db2.gz IPURBSIZPUQPQL-UHFFFAOYSA-N 1 2 358.449 2.851 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2cn(-c3ccccc3)nn2)CC1 ZINC000608856915 520145658 /nfs/dbraw/zinc/14/56/58/520145658.db2.gz IPURBSIZPUQPQL-UHFFFAOYSA-N 1 2 358.449 2.851 20 30 FFEDLO CC[C@H]([NH2+]Cc1ccncc1C#N)c1ccccc1OCC(=O)N(C)C ZINC000592093223 520176106 /nfs/dbraw/zinc/17/61/06/520176106.db2.gz LUNBDVDXDKEHJT-SFHVURJKSA-N 1 2 352.438 2.661 20 30 FFEDLO CCOc1ccccc1C[N@H+](C)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000609121753 520197979 /nfs/dbraw/zinc/19/79/79/520197979.db2.gz SHCZWUNAIWWLDZ-SFHVURJKSA-N 1 2 363.417 2.721 20 30 FFEDLO CCOc1ccccc1C[N@@H+](C)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000609121753 520197983 /nfs/dbraw/zinc/19/79/83/520197983.db2.gz SHCZWUNAIWWLDZ-SFHVURJKSA-N 1 2 363.417 2.721 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCc3ccc(O)cc3CC2)c(C#N)c1C ZINC000609133394 520201908 /nfs/dbraw/zinc/20/19/08/520201908.db2.gz WDEKNHLUSHANPZ-ZDUSSCGKSA-N 1 2 353.422 2.902 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCc3ccc(O)cc3CC2)c(C#N)c1C ZINC000609133394 520201911 /nfs/dbraw/zinc/20/19/11/520201911.db2.gz WDEKNHLUSHANPZ-ZDUSSCGKSA-N 1 2 353.422 2.902 20 30 FFEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000603326198 520216240 /nfs/dbraw/zinc/21/62/40/520216240.db2.gz AAGAIHZITCJABD-IBGZPJMESA-N 1 2 367.474 2.512 20 30 FFEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000603326198 520216248 /nfs/dbraw/zinc/21/62/48/520216248.db2.gz AAGAIHZITCJABD-IBGZPJMESA-N 1 2 367.474 2.512 20 30 FFEDLO Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148062 520223981 /nfs/dbraw/zinc/22/39/81/520223981.db2.gz QSSYKAZXLLALHF-QFIPXVFZSA-N 1 2 371.525 2.610 20 30 FFEDLO Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148062 520223987 /nfs/dbraw/zinc/22/39/87/520223987.db2.gz QSSYKAZXLLALHF-QFIPXVFZSA-N 1 2 371.525 2.610 20 30 FFEDLO Cc1cc(NCCNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)nc(C(C)C)[nH+]1 ZINC000600364478 520224922 /nfs/dbraw/zinc/22/49/22/520224922.db2.gz NDOVOFQCFVBGHT-HNNXBMFYSA-N 1 2 365.481 2.609 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000592149752 520226907 /nfs/dbraw/zinc/22/69/07/520226907.db2.gz WAEGJECZDURAOB-OAQYLSRUSA-N 1 2 365.433 2.555 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000592149752 520226918 /nfs/dbraw/zinc/22/69/18/520226918.db2.gz WAEGJECZDURAOB-OAQYLSRUSA-N 1 2 365.433 2.555 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149688 520226961 /nfs/dbraw/zinc/22/69/61/520226961.db2.gz UNKZCYHEIMYOIM-YJYMSZOUSA-N 1 2 372.494 2.566 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149688 520226968 /nfs/dbraw/zinc/22/69/68/520226968.db2.gz UNKZCYHEIMYOIM-YJYMSZOUSA-N 1 2 372.494 2.566 20 30 FFEDLO C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149096 520227164 /nfs/dbraw/zinc/22/71/64/520227164.db2.gz IWFHLPJANLGOMP-KBXCAEBGSA-N 1 2 362.499 2.548 20 30 FFEDLO C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149096 520227174 /nfs/dbraw/zinc/22/71/74/520227174.db2.gz IWFHLPJANLGOMP-KBXCAEBGSA-N 1 2 362.499 2.548 20 30 FFEDLO C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149874 520227755 /nfs/dbraw/zinc/22/77/55/520227755.db2.gz YNGRYODWOUTBFT-XIKOKIGWSA-N 1 2 374.441 2.627 20 30 FFEDLO C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149874 520227759 /nfs/dbraw/zinc/22/77/59/520227759.db2.gz YNGRYODWOUTBFT-XIKOKIGWSA-N 1 2 374.441 2.627 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000592152391 520228177 /nfs/dbraw/zinc/22/81/77/520228177.db2.gz WYTORZNCMQFXQN-MRXNPFEDSA-N 1 2 362.227 2.955 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000592152391 520228189 /nfs/dbraw/zinc/22/81/89/520228189.db2.gz WYTORZNCMQFXQN-MRXNPFEDSA-N 1 2 362.227 2.955 20 30 FFEDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nnc2n1CCCCC2 ZINC000613062627 520296876 /nfs/dbraw/zinc/29/68/76/520296876.db2.gz CSGHPOKTZWRLPN-GFCCVEGCSA-N 1 2 372.860 2.819 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000609539080 520349565 /nfs/dbraw/zinc/34/95/65/520349565.db2.gz ROVJJRINBCUWAW-FPOVZHCZSA-N 1 2 370.541 2.978 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccc4c(c3)CCC4)CC2)cc1 ZINC000603784546 520359445 /nfs/dbraw/zinc/35/94/45/520359445.db2.gz NTIXGWUGYYMENG-UHFFFAOYSA-N 1 2 374.488 2.803 20 30 FFEDLO N#CCC1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000598032850 520385411 /nfs/dbraw/zinc/38/54/11/520385411.db2.gz IJGJWXYLAIVBOV-INIZCTEOSA-N 1 2 362.271 2.958 20 30 FFEDLO COc1ccc(Br)c(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000609676496 520404481 /nfs/dbraw/zinc/40/44/81/520404481.db2.gz IGAGHMKAQIUSBS-MRXNPFEDSA-N 1 2 374.238 2.646 20 30 FFEDLO Cc1ccccc1-n1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cn1 ZINC000592504533 520424839 /nfs/dbraw/zinc/42/48/39/520424839.db2.gz HHLDDVBKITVFTK-QGZVFWFLSA-N 1 2 373.464 2.553 20 30 FFEDLO Cc1ccccc1-n1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cn1 ZINC000592504533 520424845 /nfs/dbraw/zinc/42/48/45/520424845.db2.gz HHLDDVBKITVFTK-QGZVFWFLSA-N 1 2 373.464 2.553 20 30 FFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000595356810 520426719 /nfs/dbraw/zinc/42/67/19/520426719.db2.gz LFSHLJAYBDNTCQ-UHFFFAOYSA-N 1 2 360.421 2.689 20 30 FFEDLO Cn1cc[nH+]c1CN1CCC[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)C1=O ZINC000613429208 520498114 /nfs/dbraw/zinc/49/81/14/520498114.db2.gz NLOQGVJMGSMDMA-OAHLLOKOSA-N 1 2 366.469 2.587 20 30 FFEDLO CS(=O)(=O)Nc1cccc(CNc2[nH+]cccc2OCCCC#N)c1 ZINC000613442808 520504169 /nfs/dbraw/zinc/50/41/69/520504169.db2.gz CZKUQVJJTCLNAQ-UHFFFAOYSA-N 1 2 360.439 2.748 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2ccc(C#N)cc2F)c1C ZINC000610083793 520533908 /nfs/dbraw/zinc/53/39/08/520533908.db2.gz ITZCPLTWFNCULN-UHFFFAOYSA-N 1 2 363.414 2.539 20 30 FFEDLO N#CC1(NC(=O)c2ccc(O)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000613524581 520544162 /nfs/dbraw/zinc/54/41/62/520544162.db2.gz SEQVZSNUMLHWDU-UHFFFAOYSA-N 1 2 353.397 2.819 20 30 FFEDLO N#Cc1sccc1N1CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000595633089 520612071 /nfs/dbraw/zinc/61/20/71/520612071.db2.gz LPEPQQBIDWHCMQ-SJORKVTESA-N 1 2 372.538 2.923 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595711527 520666016 /nfs/dbraw/zinc/66/60/16/520666016.db2.gz HWTMALBTTRBOMA-CQSZACIVSA-N 1 2 354.479 2.929 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595711527 520666019 /nfs/dbraw/zinc/66/60/19/520666019.db2.gz HWTMALBTTRBOMA-CQSZACIVSA-N 1 2 354.479 2.929 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000593052595 520711161 /nfs/dbraw/zinc/71/11/61/520711161.db2.gz KMCQFDYFJFUTOZ-CYBMUJFWSA-N 1 2 369.296 2.876 20 30 FFEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCOc2cccc(Br)c2C1 ZINC000598622365 520748032 /nfs/dbraw/zinc/74/80/32/520748032.db2.gz JBBAFPZNPOPDLR-LBPRGKRZSA-N 1 2 353.260 2.944 20 30 FFEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCOc2cccc(Br)c2C1 ZINC000598622365 520748040 /nfs/dbraw/zinc/74/80/40/520748040.db2.gz JBBAFPZNPOPDLR-LBPRGKRZSA-N 1 2 353.260 2.944 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC2(COC2)C1 ZINC000595835654 520757390 /nfs/dbraw/zinc/75/73/90/520757390.db2.gz VMRYFUROMDSXOL-CYBMUJFWSA-N 1 2 359.495 2.938 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC2(COC2)C1 ZINC000595835654 520757401 /nfs/dbraw/zinc/75/74/01/520757401.db2.gz VMRYFUROMDSXOL-CYBMUJFWSA-N 1 2 359.495 2.938 20 30 FFEDLO C[C@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1CO ZINC000598648301 520759920 /nfs/dbraw/zinc/75/99/20/520759920.db2.gz FRXZKSPGLYJEJZ-UONOGXRCSA-N 1 2 361.511 2.777 20 30 FFEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1CO ZINC000598648301 520759928 /nfs/dbraw/zinc/75/99/28/520759928.db2.gz FRXZKSPGLYJEJZ-UONOGXRCSA-N 1 2 361.511 2.777 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000610605084 520762145 /nfs/dbraw/zinc/76/21/45/520762145.db2.gz YHGPTZKZHUARCL-NHCYSSNCSA-N 1 2 359.314 2.713 20 30 FFEDLO Cc1nnc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000595885522 520793188 /nfs/dbraw/zinc/79/31/88/520793188.db2.gz OJHBJJQXPJNXTF-UHFFFAOYSA-N 1 2 361.496 2.729 20 30 FFEDLO Cc1nnc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000595885522 520793196 /nfs/dbraw/zinc/79/31/96/520793196.db2.gz OJHBJJQXPJNXTF-UHFFFAOYSA-N 1 2 361.496 2.729 20 30 FFEDLO C[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@](C)(C(F)F)O1 ZINC000595913508 520818396 /nfs/dbraw/zinc/81/83/96/520818396.db2.gz FLGISEVEGMHQEA-AZOIQLNYSA-N 1 2 363.408 2.798 20 30 FFEDLO C[C@@H]1C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@](C)(C(F)F)O1 ZINC000595913508 520818406 /nfs/dbraw/zinc/81/84/06/520818406.db2.gz FLGISEVEGMHQEA-AZOIQLNYSA-N 1 2 363.408 2.798 20 30 FFEDLO C[C@@H]1CCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000610729889 520819001 /nfs/dbraw/zinc/81/90/01/520819001.db2.gz NFOCCWXXQNTEOE-UXPWSPDFSA-N 1 2 363.465 2.833 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000610764353 520834239 /nfs/dbraw/zinc/83/42/39/520834239.db2.gz NVQZQOLPMDRJBN-AEFFLSMTSA-N 1 2 358.463 2.627 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000610764353 520834246 /nfs/dbraw/zinc/83/42/46/520834246.db2.gz NVQZQOLPMDRJBN-AEFFLSMTSA-N 1 2 358.463 2.627 20 30 FFEDLO N#Cc1cc(C(=O)N2CCc3[nH]c[nH+]c3C23CCOCC3)ccc1Cl ZINC000601654027 520887406 /nfs/dbraw/zinc/88/74/06/520887406.db2.gz LZIJWZKRHINVLM-UHFFFAOYSA-N 1 2 356.813 2.639 20 30 FFEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2cc(C#N)cnn2)CC1 ZINC000596064445 520888030 /nfs/dbraw/zinc/88/80/30/520888030.db2.gz WCIKVRUWYQPCJH-ZDUSSCGKSA-N 1 2 350.451 2.841 20 30 FFEDLO Cc1ccc(C#N)nc1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000596099702 520911745 /nfs/dbraw/zinc/91/17/45/520911745.db2.gz VNQPSSVFXJOOON-UHFFFAOYSA-N 1 2 352.438 2.585 20 30 FFEDLO C=CCN(Cc1[nH+]ccn1CC(F)(F)F)S(=O)(=O)c1cccs1 ZINC000605700171 520946652 /nfs/dbraw/zinc/94/66/52/520946652.db2.gz SPPKQAIABFRPKU-UHFFFAOYSA-N 1 2 365.402 2.884 20 30 FFEDLO N#Cc1c(F)cccc1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601856393 520991391 /nfs/dbraw/zinc/99/13/91/520991391.db2.gz VWZBCBOFQJFYFH-UHFFFAOYSA-N 1 2 356.426 2.576 20 30 FFEDLO N#Cc1cc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)ccc1F ZINC000601856692 520991957 /nfs/dbraw/zinc/99/19/57/520991957.db2.gz YRFLINGCGARKLW-UHFFFAOYSA-N 1 2 356.426 2.576 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCN(CCC#N)CC1 ZINC000611174589 521024081 /nfs/dbraw/zinc/02/40/81/521024081.db2.gz LZYZEAHQGHNKIV-CYBMUJFWSA-N 1 2 354.376 2.564 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)c(Br)c1 ZINC000611181476 521028043 /nfs/dbraw/zinc/02/80/43/521028043.db2.gz DWPBBBVHHNHFTF-CQSZACIVSA-N 1 2 350.260 2.622 20 30 FFEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)c1ccco1 ZINC000593525418 521049335 /nfs/dbraw/zinc/04/93/35/521049335.db2.gz PUAOKTUBEXPVIH-MRXNPFEDSA-N 1 2 361.467 2.662 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601974515 521050529 /nfs/dbraw/zinc/05/05/29/521050529.db2.gz JQDOMTFKXXOSJM-XJKSGUPXSA-N 1 2 369.387 2.817 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601974515 521050535 /nfs/dbraw/zinc/05/05/35/521050535.db2.gz JQDOMTFKXXOSJM-XJKSGUPXSA-N 1 2 369.387 2.817 20 30 FFEDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3ccc(C(C)(C)C#N)cc3)cn2c1 ZINC000593533896 521055466 /nfs/dbraw/zinc/05/54/66/521055466.db2.gz BFYILRSJMFIQRK-UHFFFAOYSA-N 1 2 368.462 2.922 20 30 FFEDLO Cc1c(C#N)c(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)nc2ccccc12 ZINC000599185877 521077707 /nfs/dbraw/zinc/07/77/07/521077707.db2.gz ZLOHCBLWLPYOBW-SFHVURJKSA-N 1 2 373.460 2.545 20 30 FFEDLO Cc1c(C#N)c(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)nc2ccccc12 ZINC000599185877 521077714 /nfs/dbraw/zinc/07/77/14/521077714.db2.gz ZLOHCBLWLPYOBW-SFHVURJKSA-N 1 2 373.460 2.545 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2ccsc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000593608834 521105091 /nfs/dbraw/zinc/10/50/91/521105091.db2.gz RJETVTLDYXBTAS-CQSZACIVSA-N 1 2 361.492 2.515 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2ccsc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000593608834 521105092 /nfs/dbraw/zinc/10/50/92/521105092.db2.gz RJETVTLDYXBTAS-CQSZACIVSA-N 1 2 361.492 2.515 20 30 FFEDLO CC(C)C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)n1cc[nH+]c1 ZINC000602095604 521138428 /nfs/dbraw/zinc/13/84/28/521138428.db2.gz CCHRUZBDIKAOHO-VQTJNVASSA-N 1 2 365.481 2.707 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(C3(C#N)CCOCC3)n2)O1 ZINC000596613368 521166442 /nfs/dbraw/zinc/16/64/42/521166442.db2.gz BNQBXYURAQOEGQ-WBVHZDCISA-N 1 2 368.437 2.603 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(C3(C#N)CCOCC3)n2)O1 ZINC000596613368 521166451 /nfs/dbraw/zinc/16/64/51/521166451.db2.gz BNQBXYURAQOEGQ-WBVHZDCISA-N 1 2 368.437 2.603 20 30 FFEDLO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@H+]1CC=CCC1)CCCC2 ZINC000611517617 521197361 /nfs/dbraw/zinc/19/73/61/521197361.db2.gz YMRBEUCGXXXNJF-MRXNPFEDSA-N 1 2 368.481 2.618 20 30 FFEDLO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@@H+]1CC=CCC1)CCCC2 ZINC000611517617 521197369 /nfs/dbraw/zinc/19/73/69/521197369.db2.gz YMRBEUCGXXXNJF-MRXNPFEDSA-N 1 2 368.481 2.618 20 30 FFEDLO C[N@@H+](Cc1nc(-c2cccs2)no1)C[C@H](O)COc1ccccc1C#N ZINC000599413517 521206044 /nfs/dbraw/zinc/20/60/44/521206044.db2.gz YQYMUYRVRNXXIH-AWEZNQCLSA-N 1 2 370.434 2.541 20 30 FFEDLO C[N@H+](Cc1nc(-c2cccs2)no1)C[C@H](O)COc1ccccc1C#N ZINC000599413517 521206054 /nfs/dbraw/zinc/20/60/54/521206054.db2.gz YQYMUYRVRNXXIH-AWEZNQCLSA-N 1 2 370.434 2.541 20 30 FFEDLO C[C@@H](C(=O)NCC1(C#N)CCCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000593779524 521207774 /nfs/dbraw/zinc/20/77/74/521207774.db2.gz LJBKTZQVTKXZQA-INIZCTEOSA-N 1 2 358.461 2.536 20 30 FFEDLO N#Cc1ccccc1OCC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611550442 521214355 /nfs/dbraw/zinc/21/43/55/521214355.db2.gz AXMUHCXAAMIRBQ-HXUWFJFHSA-N 1 2 364.424 2.959 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611578091 521233195 /nfs/dbraw/zinc/23/31/95/521233195.db2.gz MWUBLTDDPMYOFZ-LBPRGKRZSA-N 1 2 355.410 2.944 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611578091 521233201 /nfs/dbraw/zinc/23/32/01/521233201.db2.gz MWUBLTDDPMYOFZ-LBPRGKRZSA-N 1 2 355.410 2.944 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCC1(C#N)CCCCC1 ZINC000596803943 521296424 /nfs/dbraw/zinc/29/64/24/521296424.db2.gz WPQINJLXUPDUHN-UHFFFAOYSA-N 1 2 357.458 2.822 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccccc1CC(F)(F)F ZINC000602425297 521337547 /nfs/dbraw/zinc/33/75/47/521337547.db2.gz PCLZSCHSJYFEGB-UHFFFAOYSA-N 1 2 355.404 2.839 20 30 FFEDLO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[NH2+][C@@H](CC)CC#N ZINC000594009032 521345981 /nfs/dbraw/zinc/34/59/81/521345981.db2.gz ZEAUHJKGGJHBOR-LBPRGKRZSA-N 1 2 365.455 2.656 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)n1 ZINC000602471218 521363754 /nfs/dbraw/zinc/36/37/54/521363754.db2.gz KNEYYFIFFYVYHD-IBGZPJMESA-N 1 2 362.433 2.881 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)n1 ZINC000602471218 521363760 /nfs/dbraw/zinc/36/37/60/521363760.db2.gz KNEYYFIFFYVYHD-IBGZPJMESA-N 1 2 362.433 2.881 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC000594234196 521497463 /nfs/dbraw/zinc/49/74/63/521497463.db2.gz JADGCCHJWGQUFO-HNNXBMFYSA-N 1 2 366.465 2.686 20 30 FFEDLO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)c1c(F)cccc1F ZINC000612136737 521500230 /nfs/dbraw/zinc/50/02/30/521500230.db2.gz HDZLFNFSWHWEIO-QAPCUYQASA-N 1 2 350.413 2.903 20 30 FFEDLO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165371 521514220 /nfs/dbraw/zinc/51/42/20/521514220.db2.gz KTYYUIPKZSSWGR-JZCCCEBISA-N 1 2 372.513 2.795 20 30 FFEDLO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165371 521514233 /nfs/dbraw/zinc/51/42/33/521514233.db2.gz KTYYUIPKZSSWGR-JZCCCEBISA-N 1 2 372.513 2.795 20 30 FFEDLO N#CCc1cccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000619478617 521590036 /nfs/dbraw/zinc/59/00/36/521590036.db2.gz CFIMPIFCORTPTH-UHFFFAOYSA-N 1 2 370.409 2.556 20 30 FFEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N2CCC[C@](C)(C#N)C2)cc1 ZINC000612357526 521590553 /nfs/dbraw/zinc/59/05/53/521590553.db2.gz HHCDLVDCSAHGKG-TZIWHRDSSA-N 1 2 370.497 2.704 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000616135070 521628463 /nfs/dbraw/zinc/62/84/63/521628463.db2.gz JQOVXAMPXBLVTN-GQIGUUNPSA-N 1 2 360.477 2.779 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000616135070 521628467 /nfs/dbraw/zinc/62/84/67/521628467.db2.gz JQOVXAMPXBLVTN-GQIGUUNPSA-N 1 2 360.477 2.779 20 30 FFEDLO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647585 521811232 /nfs/dbraw/zinc/81/12/32/521811232.db2.gz XQHLUFRMQYAZDW-XLIONFOSSA-N 1 2 372.488 2.655 20 30 FFEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623266151 521896348 /nfs/dbraw/zinc/89/63/48/521896348.db2.gz SSJMUBNTVQTSFL-LBPRGKRZSA-N 1 2 351.328 2.821 20 30 FFEDLO CN1CCCC[C@@H]([N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)C1=O ZINC000634738645 523622732 /nfs/dbraw/zinc/62/27/32/523622732.db2.gz WBFQSXRWSHMGKU-LJQANCHMSA-N 1 2 366.465 2.680 20 30 FFEDLO CN1CCCC[C@@H]([N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)C1=O ZINC000634738645 523622742 /nfs/dbraw/zinc/62/27/42/523622742.db2.gz WBFQSXRWSHMGKU-LJQANCHMSA-N 1 2 366.465 2.680 20 30 FFEDLO CC(C)C[C@H](CNC(=O)[O-])[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000833794011 606007405 /nfs/dbraw/zinc/00/74/05/606007405.db2.gz IQYJNDHHSQDMCU-LJQANCHMSA-N 1 2 358.486 2.795 20 30 FFEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000820087133 606498431 /nfs/dbraw/zinc/49/84/31/606498431.db2.gz LQWBCHOHTFODPP-UHFFFAOYSA-N 1 2 350.373 2.840 20 30 FFEDLO C=C(Br)CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159250967 728903096 /nfs/dbraw/zinc/90/30/96/728903096.db2.gz UYXVWMVWRQJEQE-UHFFFAOYSA-N 1 2 365.231 2.992 20 30 FFEDLO CC[N@H+](C)[C@H](C(=O)OCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000745098342 735399056 /nfs/dbraw/zinc/39/90/56/735399056.db2.gz SHAHKBZTBHUKCP-INIZCTEOSA-N 1 2 357.435 2.794 20 30 FFEDLO CC[N@@H+](C)[C@H](C(=O)OCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000745098342 735399058 /nfs/dbraw/zinc/39/90/58/735399058.db2.gz SHAHKBZTBHUKCP-INIZCTEOSA-N 1 2 357.435 2.794 20 30 FFEDLO CC(C)(C)[C@@H](NC(=O)CO[NH+]=C(N)Cc1cccnc1)c1cccs1 ZINC000092916713 728472199 /nfs/dbraw/zinc/47/21/99/728472199.db2.gz JLENCIKJNJUBMA-KRWDZBQOSA-N 1 2 360.483 2.878 20 30 FFEDLO N#Cc1ccc(OCCC[N@H+]2CCC[C@@H]2C(=O)Nc2nccs2)cc1 ZINC000172261521 729022579 /nfs/dbraw/zinc/02/25/79/729022579.db2.gz BOJAZAMSBXGKHL-MRXNPFEDSA-N 1 2 356.451 2.887 20 30 FFEDLO N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H]2C(=O)Nc2nccs2)cc1 ZINC000172261521 729022581 /nfs/dbraw/zinc/02/25/81/729022581.db2.gz BOJAZAMSBXGKHL-MRXNPFEDSA-N 1 2 356.451 2.887 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000858495780 730427260 /nfs/dbraw/zinc/42/72/60/730427260.db2.gz KCRSIXINLLUVMK-CQSZACIVSA-N 1 2 360.845 2.753 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862215456 730677061 /nfs/dbraw/zinc/67/70/61/730677061.db2.gz NSWDYKATYMWYSY-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO C=C(Cl)C[C@@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)OCC ZINC000870035685 731465395 /nfs/dbraw/zinc/46/53/95/731465395.db2.gz LFCMTBKOCZYLDR-MRXNPFEDSA-N 1 2 361.829 2.605 20 30 FFEDLO C=CCCn1cc(C[NH2+]Cc2cc(Br)ccc2OC)nn1 ZINC000657350756 731772198 /nfs/dbraw/zinc/77/21/98/731772198.db2.gz YXPSKBKVKPRTRP-UHFFFAOYSA-N 1 2 351.248 2.915 20 30 FFEDLO C=CCCn1cc(CNC[C@H]2CSCC[N@@H+]2Cc2ccccc2)nn1 ZINC000657445766 731780286 /nfs/dbraw/zinc/78/02/86/731780286.db2.gz AVISKRMPUWZTSP-IBGZPJMESA-N 1 2 357.527 2.561 20 30 FFEDLO C=CCCn1cc(CNC[C@H]2CSCC[N@H+]2Cc2ccccc2)nn1 ZINC000657445766 731780287 /nfs/dbraw/zinc/78/02/87/731780287.db2.gz AVISKRMPUWZTSP-IBGZPJMESA-N 1 2 357.527 2.561 20 30 FFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(C#N)cn2)CC1 ZINC000780652644 738565993 /nfs/dbraw/zinc/56/59/93/738565993.db2.gz PEGPDIUWURLIHA-AWEZNQCLSA-N 1 2 355.467 2.603 20 30 FFEDLO C=CC[N@H+](CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)C(C)(C)C ZINC000661755555 732238000 /nfs/dbraw/zinc/23/80/00/732238000.db2.gz TXVLIPIZYZRUET-QGZVFWFLSA-N 1 2 370.559 2.621 20 30 FFEDLO C=CC[N@@H+](CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)C(C)(C)C ZINC000661755555 732238003 /nfs/dbraw/zinc/23/80/03/732238003.db2.gz TXVLIPIZYZRUET-QGZVFWFLSA-N 1 2 370.559 2.621 20 30 FFEDLO CSC1([C@@H](C#N)N(C)C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)CC1 ZINC000876456558 732249909 /nfs/dbraw/zinc/24/99/09/732249909.db2.gz NYBIFVUXYNMRGH-OAHLLOKOSA-N 1 2 364.421 2.869 20 30 FFEDLO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000877474115 732367695 /nfs/dbraw/zinc/36/76/95/732367695.db2.gz QPXVTISMPNJESO-INIZCTEOSA-N 1 2 358.804 2.636 20 30 FFEDLO C=CCn1c(COC)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000669814436 733272854 /nfs/dbraw/zinc/27/28/54/733272854.db2.gz QXNPFIONALBQOZ-UHFFFAOYSA-N 1 2 361.877 2.586 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000884055046 733473091 /nfs/dbraw/zinc/47/30/91/733473091.db2.gz AINRMAHSDIKAFU-OQPBUACISA-N 1 2 363.216 2.756 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000884076525 733476140 /nfs/dbraw/zinc/47/61/40/733476140.db2.gz GPBREGUWJJGNPZ-RISCZKNCSA-N 1 2 358.360 2.671 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000884145455 733486416 /nfs/dbraw/zinc/48/64/16/733486416.db2.gz KYGKJFSISRKVQB-HOTGVXAUSA-N 1 2 358.463 2.595 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000884177032 733490906 /nfs/dbraw/zinc/49/09/06/733490906.db2.gz YKXPWXHMVWKPTJ-AWEZNQCLSA-N 1 2 365.861 2.715 20 30 FFEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2cc(Cl)c(OC)cc2OC)CC1 ZINC000886771911 733830270 /nfs/dbraw/zinc/83/02/70/733830270.db2.gz PTOMZLUVWSEICG-UHFFFAOYSA-N 1 2 368.861 2.699 20 30 FFEDLO NC(=[NH+]OCc1cn(-c2ccccc2)nn1)c1ccc(Br)cc1 ZINC000782949604 738767271 /nfs/dbraw/zinc/76/72/71/738767271.db2.gz JTOVHLRRRPVYTI-UHFFFAOYSA-N 1 2 372.226 2.867 20 30 FFEDLO COc1ccc(NC(=S)NN=Cc2cc(-n3cc[nH+]c3)cs2)cn1 ZINC000783841857 738841399 /nfs/dbraw/zinc/84/13/99/738841399.db2.gz MLJZPPZWQJECIZ-UHFFFAOYSA-N 1 2 358.452 2.658 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCC1CCC(S(C)(=O)=O)CC1 ZINC000895413049 735002778 /nfs/dbraw/zinc/00/27/78/735002778.db2.gz IRLCLMQNIFPBGX-UHFFFAOYSA-N 1 2 350.484 2.889 20 30 FFEDLO C#CC[C@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 ZINC000895489715 735014518 /nfs/dbraw/zinc/01/45/18/735014518.db2.gz HDEZCUFYEPENTM-CQSZACIVSA-N 1 2 363.870 2.955 20 30 FFEDLO N#Cc1cnc(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c(Br)c1 ZINC000895564558 735024261 /nfs/dbraw/zinc/02/42/61/735024261.db2.gz KYNLUWSDQMJFAM-CHWSQXEVSA-N 1 2 353.289 2.707 20 30 FFEDLO N#Cc1cnc(N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c(Br)c1 ZINC000895564558 735024263 /nfs/dbraw/zinc/02/42/63/735024263.db2.gz KYNLUWSDQMJFAM-CHWSQXEVSA-N 1 2 353.289 2.707 20 30 FFEDLO Cc1ccnc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)c1Br ZINC000897599455 735253268 /nfs/dbraw/zinc/25/32/68/735253268.db2.gz LVIFEGFQDYDJIW-UHFFFAOYSA-N 1 2 351.244 2.990 20 30 FFEDLO C/C(=C\C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)C[NH+]1CCOCC1 ZINC000900643364 735674020 /nfs/dbraw/zinc/67/40/20/735674020.db2.gz MLBJGZDWVVCPDJ-RCLKMUNOSA-N 1 2 368.264 2.953 20 30 FFEDLO C=CCN(CCCc1c[nH+]cn1C)S(=O)(=O)c1cccc(Cl)c1 ZINC000902142099 735908674 /nfs/dbraw/zinc/90/86/74/735908674.db2.gz FXXFJLDGSAPOSG-UHFFFAOYSA-N 1 2 353.875 2.883 20 30 FFEDLO CCc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000903263333 736068925 /nfs/dbraw/zinc/06/89/25/736068925.db2.gz MBXXEXASIHRZOS-SFHVURJKSA-N 1 2 356.495 2.740 20 30 FFEDLO N#CCOc1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000753855854 736101509 /nfs/dbraw/zinc/10/15/09/736101509.db2.gz JICKAVUWCJVOQK-SJLPKXTDSA-N 1 2 358.463 2.975 20 30 FFEDLO N#CCOc1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000753855854 736101511 /nfs/dbraw/zinc/10/15/11/736101511.db2.gz JICKAVUWCJVOQK-SJLPKXTDSA-N 1 2 358.463 2.975 20 30 FFEDLO N#CCOc1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000753855853 736101539 /nfs/dbraw/zinc/10/15/39/736101539.db2.gz JICKAVUWCJVOQK-FUHWJXTLSA-N 1 2 358.463 2.975 20 30 FFEDLO N#CCOc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000753855853 736101544 /nfs/dbraw/zinc/10/15/44/736101544.db2.gz JICKAVUWCJVOQK-FUHWJXTLSA-N 1 2 358.463 2.975 20 30 FFEDLO N#CCOc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000753855855 736101702 /nfs/dbraw/zinc/10/17/02/736101702.db2.gz JICKAVUWCJVOQK-WMZOPIPTSA-N 1 2 358.463 2.975 20 30 FFEDLO N#CCOc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000753855855 736101704 /nfs/dbraw/zinc/10/17/04/736101704.db2.gz JICKAVUWCJVOQK-WMZOPIPTSA-N 1 2 358.463 2.975 20 30 FFEDLO O=C1Nc2c(cc(Cl)cc2Cl)C1=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753940225 736108703 /nfs/dbraw/zinc/10/87/03/736108703.db2.gz SHAVYHQDBJILAP-QWRGUYRKSA-N 1 2 352.225 2.510 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(CCc2c(Cl)cccc2Cl)no1 ZINC000904103561 736220987 /nfs/dbraw/zinc/22/09/87/736220987.db2.gz APIDKFVVYDQFPN-ZDUSSCGKSA-N 1 2 370.236 2.761 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2c3ccccc3CC[C@H]2F)cc1 ZINC000905452190 736342355 /nfs/dbraw/zinc/34/23/55/736342355.db2.gz IWUXQAYGLQBFNS-MOPGFXCFSA-N 1 2 358.438 2.947 20 30 FFEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC000907054133 736577209 /nfs/dbraw/zinc/57/72/09/736577209.db2.gz VXHTWHCRKDMWLL-UHFFFAOYSA-N 1 2 360.464 2.680 20 30 FFEDLO C[C@H](CC(F)(F)F)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000767340135 737316474 /nfs/dbraw/zinc/31/64/74/737316474.db2.gz ZXJYTCPOSQOFIW-SNVBAGLBSA-N 1 2 352.360 2.987 20 30 FFEDLO C[C@@H](CC(F)(F)F)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000767340134 737316496 /nfs/dbraw/zinc/31/64/96/737316496.db2.gz ZXJYTCPOSQOFIW-JTQLQIEISA-N 1 2 352.360 2.987 20 30 FFEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc(Br)s2)C1=O ZINC000777960694 738335515 /nfs/dbraw/zinc/33/55/15/738335515.db2.gz KQCURBHKJGYEHM-AWEZNQCLSA-N 1 2 372.288 2.743 20 30 FFEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc(Br)s2)C1=O ZINC000777960694 738335518 /nfs/dbraw/zinc/33/55/18/738335518.db2.gz KQCURBHKJGYEHM-AWEZNQCLSA-N 1 2 372.288 2.743 20 30 FFEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000787711309 739161569 /nfs/dbraw/zinc/16/15/69/739161569.db2.gz OMMUFEGVQGKZDF-UHFFFAOYSA-N 1 2 366.845 2.762 20 30 FFEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000787711309 739161572 /nfs/dbraw/zinc/16/15/72/739161572.db2.gz OMMUFEGVQGKZDF-UHFFFAOYSA-N 1 2 366.845 2.762 20 30 FFEDLO N#CC[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C(F)(F)F ZINC000932926489 739539613 /nfs/dbraw/zinc/53/96/13/739539613.db2.gz JIXXUDLPIUSJOT-ZDUSSCGKSA-N 1 2 355.364 2.716 20 30 FFEDLO C#CCC1([NH2+]Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)CCC1 ZINC000933298569 739601069 /nfs/dbraw/zinc/60/10/69/739601069.db2.gz BHKUUQCUCGBVLB-UHFFFAOYSA-N 1 2 358.442 2.643 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@H+](C[C@H](O)COCc3cccs3)CCO2)cc1 ZINC000933623435 739663434 /nfs/dbraw/zinc/66/34/34/739663434.db2.gz BMYRTGBQAOQZNI-PKOBYXMFSA-N 1 2 358.463 2.571 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@@H+](C[C@H](O)COCc3cccs3)CCO2)cc1 ZINC000933623435 739663439 /nfs/dbraw/zinc/66/34/39/739663439.db2.gz BMYRTGBQAOQZNI-PKOBYXMFSA-N 1 2 358.463 2.571 20 30 FFEDLO COc1ccc(CN(C)C(=O)C[N@H+](C)Cc2cc(C#N)cs2)cc1F ZINC000933780460 739689330 /nfs/dbraw/zinc/68/93/30/739689330.db2.gz RCGUFVXZCCENSL-UHFFFAOYSA-N 1 2 361.442 2.858 20 30 FFEDLO COc1ccc(CN(C)C(=O)C[N@@H+](C)Cc2cc(C#N)cs2)cc1F ZINC000933780460 739689331 /nfs/dbraw/zinc/68/93/31/739689331.db2.gz RCGUFVXZCCENSL-UHFFFAOYSA-N 1 2 361.442 2.858 20 30 FFEDLO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000934752346 739832300 /nfs/dbraw/zinc/83/23/00/739832300.db2.gz OGAVWGCJLMTKIY-DEOSSOPVSA-N 1 2 368.934 2.998 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)c(C)s2)C1 ZINC000971555886 740787195 /nfs/dbraw/zinc/78/71/95/740787195.db2.gz MBNGRMFSBORWQS-ZACQAIPSSA-N 1 2 363.527 2.774 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)c(C)s2)C1 ZINC000971555886 740787196 /nfs/dbraw/zinc/78/71/96/740787196.db2.gz MBNGRMFSBORWQS-ZACQAIPSSA-N 1 2 363.527 2.774 20 30 FFEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)C2)C1 ZINC000972434480 740830169 /nfs/dbraw/zinc/83/01/69/740830169.db2.gz GXAMBFIZJLVOHX-HLLBOEOZSA-N 1 2 360.420 2.844 20 30 FFEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)C2)C1 ZINC000972434480 740830175 /nfs/dbraw/zinc/83/01/75/740830175.db2.gz GXAMBFIZJLVOHX-HLLBOEOZSA-N 1 2 360.420 2.844 20 30 FFEDLO CC1=C(C(=O)C=Cc2c[nH+]c3ccc(Cl)cn23)[C@@H](C)N2NN=NC2=N1 ZINC000806559599 741069246 /nfs/dbraw/zinc/06/92/46/741069246.db2.gz CGIQISCOEBCYNU-ORAHPGNNSA-N 1 2 355.789 2.790 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2nccs2)CC1(C)C ZINC000977270496 741072882 /nfs/dbraw/zinc/07/28/82/741072882.db2.gz BQRMPBUNQCWKTQ-ZOBUZTSGSA-N 1 2 363.527 2.841 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[N@@H+](Cc2nccs2)CC1(C)C ZINC000977270496 741072886 /nfs/dbraw/zinc/07/28/86/741072886.db2.gz BQRMPBUNQCWKTQ-ZOBUZTSGSA-N 1 2 363.527 2.841 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(CCC(C)(C)C#N)CC2)C1 ZINC000808770400 741259049 /nfs/dbraw/zinc/25/90/49/741259049.db2.gz JFDBWNIQXLMAOJ-INIZCTEOSA-N 1 2 350.507 2.553 20 30 FFEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000810144978 741392253 /nfs/dbraw/zinc/39/22/53/741392253.db2.gz NWYVPOTZCQFAAR-LBPRGKRZSA-N 1 2 360.458 2.966 20 30 FFEDLO C#C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000811963364 741579289 /nfs/dbraw/zinc/57/92/89/741579289.db2.gz LJVUZTHNTJGHIQ-WBAXXEDZSA-N 1 2 361.873 2.519 20 30 FFEDLO C#C[C@H](CCC)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000812184901 741593656 /nfs/dbraw/zinc/59/36/56/741593656.db2.gz SIKQQWZQNFYIFV-KZNAEPCWSA-N 1 2 363.889 2.813 20 30 FFEDLO C#C[C@H](CCC)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000812184901 741593659 /nfs/dbraw/zinc/59/36/59/741593659.db2.gz SIKQQWZQNFYIFV-KZNAEPCWSA-N 1 2 363.889 2.813 20 30 FFEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC001005749739 742266248 /nfs/dbraw/zinc/26/62/48/742266248.db2.gz GNXCAMJHZNCVBB-CABCVRRESA-N 1 2 359.308 2.633 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001007362157 742327355 /nfs/dbraw/zinc/32/73/55/742327355.db2.gz ZZUXULNUYWTDAS-NUJGCVRESA-N 1 2 363.527 2.822 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2nc(C)sc2C)C1 ZINC001007362157 742327362 /nfs/dbraw/zinc/32/73/62/742327362.db2.gz ZZUXULNUYWTDAS-NUJGCVRESA-N 1 2 363.527 2.822 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(N2CCCCC2)c(Cl)c1 ZINC000819436160 742390950 /nfs/dbraw/zinc/39/09/50/742390950.db2.gz AXCOVNRTBRAHDV-MRXNPFEDSA-N 1 2 350.894 2.949 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(N2CCCCC2)c(Cl)c1 ZINC000819436160 742390956 /nfs/dbraw/zinc/39/09/56/742390956.db2.gz AXCOVNRTBRAHDV-MRXNPFEDSA-N 1 2 350.894 2.949 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000819465011 742394678 /nfs/dbraw/zinc/39/46/78/742394678.db2.gz CLIGWVIVWDFWIX-HNNXBMFYSA-N 1 2 352.429 2.573 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000819465011 742394682 /nfs/dbraw/zinc/39/46/82/742394682.db2.gz CLIGWVIVWDFWIX-HNNXBMFYSA-N 1 2 352.429 2.573 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ncc(C)s2)C1 ZINC001008812577 742407271 /nfs/dbraw/zinc/40/72/71/742407271.db2.gz ZXLYUWANRCNPSI-RYRKJORJSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ncc(C)s2)C1 ZINC001008812577 742407272 /nfs/dbraw/zinc/40/72/72/742407272.db2.gz ZXLYUWANRCNPSI-RYRKJORJSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001008839821 742409544 /nfs/dbraw/zinc/40/95/44/742409544.db2.gz LEQLAOPPVAGORK-BQFCYCMXSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001008839821 742409546 /nfs/dbraw/zinc/40/95/46/742409546.db2.gz LEQLAOPPVAGORK-BQFCYCMXSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001028188580 742788502 /nfs/dbraw/zinc/78/85/02/742788502.db2.gz DNAUOSSZDCVJEJ-JYJNAYRXSA-N 1 2 371.319 2.847 20 30 FFEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001028188580 742788507 /nfs/dbraw/zinc/78/85/07/742788507.db2.gz DNAUOSSZDCVJEJ-JYJNAYRXSA-N 1 2 371.319 2.847 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001033859699 742900272 /nfs/dbraw/zinc/90/02/72/742900272.db2.gz FNRCWOSCMHBXII-KFWWJZLASA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001033859699 742900276 /nfs/dbraw/zinc/90/02/76/742900276.db2.gz FNRCWOSCMHBXII-KFWWJZLASA-N 1 2 359.308 2.633 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2csc(CC)n2)C1 ZINC001033960710 742908662 /nfs/dbraw/zinc/90/86/62/742908662.db2.gz GOTMEIFGCNCOFX-BBWFWOEESA-N 1 2 363.527 2.719 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2csc(CC)n2)C1 ZINC001033960710 742908666 /nfs/dbraw/zinc/90/86/66/742908666.db2.gz GOTMEIFGCNCOFX-BBWFWOEESA-N 1 2 363.527 2.719 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001034300971 742918173 /nfs/dbraw/zinc/91/81/73/742918173.db2.gz DFTJCVMKYDIBTP-UXLLHSPISA-N 1 2 371.319 2.825 20 30 FFEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001034300971 742918180 /nfs/dbraw/zinc/91/81/80/742918180.db2.gz DFTJCVMKYDIBTP-UXLLHSPISA-N 1 2 371.319 2.825 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000840734129 747168624 /nfs/dbraw/zinc/16/86/24/747168624.db2.gz DCQDLMGLVMWRRL-NSHDSACASA-N 1 2 352.441 2.503 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000840734129 747168636 /nfs/dbraw/zinc/16/86/36/747168636.db2.gz DCQDLMGLVMWRRL-NSHDSACASA-N 1 2 352.441 2.503 20 30 FFEDLO CC(NNc1ccc(S(=O)(=O)N2CCCCC2)c[nH+]1)=C1CC1(F)F ZINC000841611522 747419464 /nfs/dbraw/zinc/41/94/64/747419464.db2.gz VYYXZNCXEFIOBT-ZDUSSCGKSA-N 1 2 358.414 2.699 20 30 FFEDLO C#C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000847027032 748601369 /nfs/dbraw/zinc/60/13/69/748601369.db2.gz RMRQJMWQLOYNOH-CYBMUJFWSA-N 1 2 356.285 2.568 20 30 FFEDLO C#C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000847027032 748601375 /nfs/dbraw/zinc/60/13/75/748601375.db2.gz RMRQJMWQLOYNOH-CYBMUJFWSA-N 1 2 356.285 2.568 20 30 FFEDLO CC[C@@H](CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1)CC(F)F ZINC000853658143 750128531 /nfs/dbraw/zinc/12/85/31/750128531.db2.gz MVYLAULTERIXEE-CQSZACIVSA-N 1 2 355.429 2.837 20 30 FFEDLO CCOC(=O)Cn1cc(C[N@@H+]2CCC[C@H](C#N)C2)c(-c2ccccc2)n1 ZINC000896502663 971526151 /nfs/dbraw/zinc/52/61/51/971526151.db2.gz YTFRDYPYNFWBNN-MRXNPFEDSA-N 1 2 352.438 2.849 20 30 FFEDLO CCOC(=O)Cn1cc(C[N@H+]2CCC[C@H](C#N)C2)c(-c2ccccc2)n1 ZINC000896502663 971526159 /nfs/dbraw/zinc/52/61/59/971526159.db2.gz YTFRDYPYNFWBNN-MRXNPFEDSA-N 1 2 352.438 2.849 20 30 FFEDLO N#Cc1ccc(N[C@H]2CCC[N@H+](Cc3cn(-c4ccccc4)nn3)C2)nc1 ZINC000896654861 971654216 /nfs/dbraw/zinc/65/42/16/971654216.db2.gz PCSMYDBNTWBAGW-KRWDZBQOSA-N 1 2 359.437 2.610 20 30 FFEDLO N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3cn(-c4ccccc4)nn3)C2)nc1 ZINC000896654861 971654224 /nfs/dbraw/zinc/65/42/24/971654224.db2.gz PCSMYDBNTWBAGW-KRWDZBQOSA-N 1 2 359.437 2.610 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC000974459205 971878426 /nfs/dbraw/zinc/87/84/26/971878426.db2.gz WOVSFFVDPNNIQW-IQVOZAENSA-N 1 2 366.465 2.838 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2c(F)cccc2F)CC1(C)C ZINC000975064409 972335488 /nfs/dbraw/zinc/33/54/88/972335488.db2.gz MZJXGORFORIQMR-BVGQSLNGSA-N 1 2 364.436 2.883 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2c(F)cccc2F)CC1(C)C ZINC000975064409 972335490 /nfs/dbraw/zinc/33/54/90/972335490.db2.gz MZJXGORFORIQMR-BVGQSLNGSA-N 1 2 364.436 2.883 20 30 FFEDLO CCc1cc(Nc2cnn(CC[NH+]3CCOCC3)c2)cc(CC)c1C#N ZINC001174492950 1013221383 /nfs/dbraw/zinc/22/13/83/1013221383.db2.gz KFFKWWJGPMQGNQ-UHFFFAOYSA-N 1 2 353.470 2.955 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2nsc3ccccc23)C1 ZINC000970447166 961333267 /nfs/dbraw/zinc/33/32/67/961333267.db2.gz NWRHYSXKZSTCSP-QBIMZIAESA-N 1 2 371.506 2.824 20 30 FFEDLO C=CC(C)(C)CCCNC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000872986827 1013334058 /nfs/dbraw/zinc/33/40/58/1013334058.db2.gz BLSPVGJRZQMQEV-UHFFFAOYSA-N 1 2 367.534 2.548 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001095432715 1013345582 /nfs/dbraw/zinc/34/55/82/1013345582.db2.gz BJYGSYSHTWQBOB-NRKLIOEPSA-N 1 2 361.511 2.654 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001095432715 1013345591 /nfs/dbraw/zinc/34/55/91/1013345591.db2.gz BJYGSYSHTWQBOB-NRKLIOEPSA-N 1 2 361.511 2.654 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000933213257 963716781 /nfs/dbraw/zinc/71/67/81/963716781.db2.gz HOCBTTINPUOSPX-DLBZAZTESA-N 1 2 362.433 2.725 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000933213257 963716787 /nfs/dbraw/zinc/71/67/87/963716787.db2.gz HOCBTTINPUOSPX-DLBZAZTESA-N 1 2 362.433 2.725 20 30 FFEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000134654922 964567458 /nfs/dbraw/zinc/56/74/58/964567458.db2.gz HOGYDDCHIHFDIT-PBHICJAKSA-N 1 2 372.469 2.874 20 30 FFEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000134654922 964567470 /nfs/dbraw/zinc/56/74/70/964567470.db2.gz HOGYDDCHIHFDIT-PBHICJAKSA-N 1 2 372.469 2.874 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C[NH+]2CCC(C#N)CC2)C1 ZINC000891852315 965225511 /nfs/dbraw/zinc/22/55/11/965225511.db2.gz LFGMHRGGGFNDIH-INIZCTEOSA-N 1 2 374.489 2.586 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C#N ZINC001270803108 965985431 /nfs/dbraw/zinc/98/54/31/965985431.db2.gz FVXSIRBFBDGTSO-IYBDPMFKSA-N 1 2 352.463 2.812 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C#N ZINC001270803108 965985441 /nfs/dbraw/zinc/98/54/41/965985441.db2.gz FVXSIRBFBDGTSO-IYBDPMFKSA-N 1 2 352.463 2.812 20 30 FFEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](Cc3ncc(-c4ccccc4)o3)C[C@H]21 ZINC001075771177 966053953 /nfs/dbraw/zinc/05/39/53/966053953.db2.gz UXMCONCGZSXDKT-RBUKOAKNSA-N 1 2 361.445 2.788 20 30 FFEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](Cc3ncc(-c4ccccc4)o3)C[C@H]21 ZINC001075771177 966053966 /nfs/dbraw/zinc/05/39/66/966053966.db2.gz UXMCONCGZSXDKT-RBUKOAKNSA-N 1 2 361.445 2.788 20 30 FFEDLO CN(C(=O)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)C1(C#N)CCCCC1 ZINC000152163831 966201630 /nfs/dbraw/zinc/20/16/30/966201630.db2.gz WHQKMKYNNYSRJY-INIZCTEOSA-N 1 2 370.501 2.546 20 30 FFEDLO COCCOc1cc(C#N)c(Nc2c[nH+]ccc2OC)cc1OCCOC ZINC001176125078 1013636773 /nfs/dbraw/zinc/63/67/73/1013636773.db2.gz YWTLCXAEAICWDD-UHFFFAOYSA-N 1 2 373.409 2.756 20 30 FFEDLO C[C@H](C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21)C1CCCC1 ZINC001083244786 966461218 /nfs/dbraw/zinc/46/12/18/966461218.db2.gz KDTSYRQTAQHRGC-YUXAGFNASA-N 1 2 366.505 2.776 20 30 FFEDLO C[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21)C1CCCC1 ZINC001083244786 966461226 /nfs/dbraw/zinc/46/12/26/966461226.db2.gz KDTSYRQTAQHRGC-YUXAGFNASA-N 1 2 366.505 2.776 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H](C)c2nc(C)no2)C1 ZINC001211550154 966671323 /nfs/dbraw/zinc/67/13/23/966671323.db2.gz RTMAFUFAYSCKTD-FHLIZLRMSA-N 1 2 354.454 2.989 20 30 FFEDLO CCOC(=O)C(C)N=Nc1cc(NCc2cc[nH+]c(N)c2)ccc1[N+](=O)[O-] ZINC001167618583 966989263 /nfs/dbraw/zinc/98/92/63/966989263.db2.gz KXEGNABEOHGJRM-NHDPSOOVSA-N 1 2 372.385 2.535 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC000972430832 967069155 /nfs/dbraw/zinc/06/91/55/967069155.db2.gz LASMQXMODOXYQE-XPNTWCBSSA-N 1 2 366.505 2.897 20 30 FFEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC000972430832 967069160 /nfs/dbraw/zinc/06/91/60/967069160.db2.gz LASMQXMODOXYQE-XPNTWCBSSA-N 1 2 366.505 2.897 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)COc2ccc(C)cc2C)c1 ZINC000052130751 967281679 /nfs/dbraw/zinc/28/16/79/967281679.db2.gz JVZGLNLPCYGWNE-HXUWFJFHSA-N 1 2 366.461 2.595 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)COc2ccc(C)cc2C)c1 ZINC000052130751 967281691 /nfs/dbraw/zinc/28/16/91/967281691.db2.gz JVZGLNLPCYGWNE-HXUWFJFHSA-N 1 2 366.461 2.595 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001112156946 967427838 /nfs/dbraw/zinc/42/78/38/967427838.db2.gz JNMVOGUSTNCJRM-CHWSQXEVSA-N 1 2 371.407 2.517 20 30 FFEDLO Cc1noc([C@@H](C)[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2ccccc2)n1 ZINC001211596759 967686718 /nfs/dbraw/zinc/68/67/18/967686718.db2.gz ONQDIUWDHWKSHP-AYOQOUSVSA-N 1 2 366.465 2.683 20 30 FFEDLO Cc1cc(C)c(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@H](C)C#N)c(C)[nH+]1 ZINC000984036507 967733717 /nfs/dbraw/zinc/73/37/17/967733717.db2.gz HQADWABLZYRNFS-MRRJBJDNSA-N 1 2 356.470 2.523 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@@H](C(=O)N(C)C)[C@H](c2cn(C)c[nH+]2)C1 ZINC001270911377 967801722 /nfs/dbraw/zinc/80/17/22/967801722.db2.gz VPBYXXZONSJLGH-IAGOWNOFSA-N 1 2 362.518 2.801 20 30 FFEDLO Cc1cccc2c1OC[C@H]([NH+]=C([O-])N1CC[C@H](C)[C@H](n3cc[nH+]c3)C1)C2 ZINC000329598134 967836894 /nfs/dbraw/zinc/83/68/94/967836894.db2.gz CZBLRNOPMARYSF-BMGDILEWSA-N 1 2 354.454 2.992 20 30 FFEDLO Cc1cccc2c1OC[C@H](NC(=O)N1CC[C@H](C)[C@H](n3cc[nH+]c3)C1)C2 ZINC000329598134 967836909 /nfs/dbraw/zinc/83/69/09/967836909.db2.gz CZBLRNOPMARYSF-BMGDILEWSA-N 1 2 354.454 2.992 20 30 FFEDLO CCc1nc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2CC)cs1 ZINC001087545936 968022699 /nfs/dbraw/zinc/02/26/99/968022699.db2.gz INTCCOPNZCFSBU-JKSUJKDBSA-N 1 2 357.483 2.688 20 30 FFEDLO CCc1nc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2CC)cs1 ZINC001087545936 968022710 /nfs/dbraw/zinc/02/27/10/968022710.db2.gz INTCCOPNZCFSBU-JKSUJKDBSA-N 1 2 357.483 2.688 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1ncc(C(C)C)o1 ZINC001087548691 968044436 /nfs/dbraw/zinc/04/44/36/968044436.db2.gz JRLIKKWPSSDXEC-JKSUJKDBSA-N 1 2 355.442 2.781 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1ncc(C(C)C)o1 ZINC001087548691 968044449 /nfs/dbraw/zinc/04/44/49/968044449.db2.gz JRLIKKWPSSDXEC-JKSUJKDBSA-N 1 2 355.442 2.781 20 30 FFEDLO CCCCNC(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000060100301 968164257 /nfs/dbraw/zinc/16/42/57/968164257.db2.gz ZGOWPQTYQBJBHI-UHFFFAOYSA-N 1 2 355.438 2.819 20 30 FFEDLO C=CCN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000685681620 968440923 /nfs/dbraw/zinc/44/09/23/968440923.db2.gz BWZCMJJGRYOIDO-IBGZPJMESA-N 1 2 368.481 2.698 20 30 FFEDLO C=CCN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000685681620 968440929 /nfs/dbraw/zinc/44/09/29/968440929.db2.gz BWZCMJJGRYOIDO-IBGZPJMESA-N 1 2 368.481 2.698 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ncc(CC)o1 ZINC001024442533 968922317 /nfs/dbraw/zinc/92/23/17/968922317.db2.gz QRJBKMDAWWRPEJ-NXHRZFHOSA-N 1 2 361.486 2.689 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ncc(CC)o1 ZINC001024442533 968922327 /nfs/dbraw/zinc/92/23/27/968922327.db2.gz QRJBKMDAWWRPEJ-NXHRZFHOSA-N 1 2 361.486 2.689 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(F)cn1 ZINC001024443263 968924363 /nfs/dbraw/zinc/92/43/63/968924363.db2.gz GDNZZEQTAJLSKR-QRVBRYPASA-N 1 2 361.461 2.673 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cn1 ZINC001024443263 968924370 /nfs/dbraw/zinc/92/43/70/968924370.db2.gz GDNZZEQTAJLSKR-QRVBRYPASA-N 1 2 361.461 2.673 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C4CC4)o3)[C@@H]2CC)nc1 ZINC001087800315 969123774 /nfs/dbraw/zinc/12/37/74/969123774.db2.gz MDHXQRUHSOMWDI-FUHWJXTLSA-N 1 2 364.449 2.711 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)[C@@H]2CC)nc1 ZINC001087800315 969123781 /nfs/dbraw/zinc/12/37/81/969123781.db2.gz MDHXQRUHSOMWDI-FUHWJXTLSA-N 1 2 364.449 2.711 20 30 FFEDLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNc2nc(Cl)c(C#N)s2)C1 ZINC000694770816 969773843 /nfs/dbraw/zinc/77/38/43/969773843.db2.gz HDIKWJPQFUWWTP-AWEZNQCLSA-N 1 2 361.902 2.896 20 30 FFEDLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNc2nc(Cl)c(C#N)s2)C1 ZINC000694770816 969773851 /nfs/dbraw/zinc/77/38/51/969773851.db2.gz HDIKWJPQFUWWTP-AWEZNQCLSA-N 1 2 361.902 2.896 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3noc(CCC)n3)C2)C1 ZINC001104654627 970030599 /nfs/dbraw/zinc/03/05/99/970030599.db2.gz IGOWZHKVGCMRDH-HZPDHXFCSA-N 1 2 360.502 2.953 20 30 FFEDLO C=C[C@H](C(=O)N1CCO[C@@H]2C[N@H+](Cc3cncs3)C[C@@H]21)c1ccccc1 ZINC001083281983 970187353 /nfs/dbraw/zinc/18/73/53/970187353.db2.gz JMYWYSAMYUKDEB-GBESFXJTSA-N 1 2 369.490 2.525 20 30 FFEDLO C=C[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cncs3)C[C@@H]21)c1ccccc1 ZINC001083281983 970187359 /nfs/dbraw/zinc/18/73/59/970187359.db2.gz JMYWYSAMYUKDEB-GBESFXJTSA-N 1 2 369.490 2.525 20 30 FFEDLO C[C@@H](CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]21)C1CC1 ZINC001083285856 970420785 /nfs/dbraw/zinc/42/07/85/970420785.db2.gz IKUDDBNEVDMOIZ-ORYQWCPZSA-N 1 2 370.468 2.525 20 30 FFEDLO C[C@@H](CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]21)C1CC1 ZINC001083285856 970420792 /nfs/dbraw/zinc/42/07/92/970420792.db2.gz IKUDDBNEVDMOIZ-ORYQWCPZSA-N 1 2 370.468 2.525 20 30 FFEDLO NC(=[NH+]OCc1nc(Cc2cccc(F)c2)no1)c1ccc2c(c1)CCO2 ZINC000783042231 970478937 /nfs/dbraw/zinc/47/89/37/970478937.db2.gz YKRVUCYKPIQKIF-UHFFFAOYSA-N 1 2 368.368 2.572 20 30 FFEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](C/C(Cl)=C\Cl)CC[C@@H]3C2)c1 ZINC001088099464 972779747 /nfs/dbraw/zinc/77/97/47/972779747.db2.gz MNKSHBHOAIHXOM-JSHMHQNDSA-N 1 2 364.276 2.776 20 30 FFEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](C/C(Cl)=C\Cl)CC[C@@H]3C2)c1 ZINC001088099464 972779759 /nfs/dbraw/zinc/77/97/59/972779759.db2.gz MNKSHBHOAIHXOM-JSHMHQNDSA-N 1 2 364.276 2.776 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](Cc4nc(C(C)C)no4)CC[C@@H]3C2)C1 ZINC001088098402 972781831 /nfs/dbraw/zinc/78/18/31/972781831.db2.gz HGEGMCSXZFKWGF-CVEARBPZSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](Cc4nc(C(C)C)no4)CC[C@@H]3C2)C1 ZINC001088098402 972781842 /nfs/dbraw/zinc/78/18/42/972781842.db2.gz HGEGMCSXZFKWGF-CVEARBPZSA-N 1 2 358.486 2.830 20 30 FFEDLO CN(C(=O)OC(C)(C)C)c1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000840757256 972940390 /nfs/dbraw/zinc/94/03/90/972940390.db2.gz MVVYSHFNMPKLDV-INIZCTEOSA-N 1 2 363.458 2.643 20 30 FFEDLO CN(C(=O)OC(C)(C)C)c1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000840757256 972940412 /nfs/dbraw/zinc/94/04/12/972940412.db2.gz MVVYSHFNMPKLDV-INIZCTEOSA-N 1 2 363.458 2.643 20 30 FFEDLO C=CC[N@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@@H](C)COC ZINC000661244569 973981574 /nfs/dbraw/zinc/98/15/74/973981574.db2.gz VZGDODXOLAVLBU-INIZCTEOSA-N 1 2 371.481 2.807 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@@H](C)COC ZINC000661244569 973981583 /nfs/dbraw/zinc/98/15/83/973981583.db2.gz VZGDODXOLAVLBU-INIZCTEOSA-N 1 2 371.481 2.807 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3coc(Br)c3)[C@@H]2C1 ZINC001075851955 974056998 /nfs/dbraw/zinc/05/69/98/974056998.db2.gz IWQOGTJAPLTKTF-CMPLNLGQSA-N 1 2 359.651 2.941 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3coc(Br)c3)[C@@H]2C1 ZINC001075851955 974057009 /nfs/dbraw/zinc/05/70/09/974057009.db2.gz IWQOGTJAPLTKTF-CMPLNLGQSA-N 1 2 359.651 2.941 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2c(F)cccc2F)C1 ZINC001027584130 974926677 /nfs/dbraw/zinc/92/66/77/974926677.db2.gz HGKMSDVZGOPCDM-CLCXKQKWSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2c(F)cccc2F)C1 ZINC001027584130 974926684 /nfs/dbraw/zinc/92/66/84/974926684.db2.gz HGKMSDVZGOPCDM-CLCXKQKWSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cncn2C)C1 ZINC001087431810 976050242 /nfs/dbraw/zinc/05/02/42/976050242.db2.gz JDKLGFDUROQBOH-IAGOWNOFSA-N 1 2 358.873 2.761 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cncn2C)C1 ZINC001087431810 976050252 /nfs/dbraw/zinc/05/02/52/976050252.db2.gz JDKLGFDUROQBOH-IAGOWNOFSA-N 1 2 358.873 2.761 20 30 FFEDLO O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981641967 976678424 /nfs/dbraw/zinc/67/84/24/976678424.db2.gz WTHTYQURZRCTHY-SESVDKBCSA-N 1 2 370.468 2.527 20 30 FFEDLO O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981641967 976678430 /nfs/dbraw/zinc/67/84/30/976678430.db2.gz WTHTYQURZRCTHY-SESVDKBCSA-N 1 2 370.468 2.527 20 30 FFEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000128443926 976856105 /nfs/dbraw/zinc/85/61/05/976856105.db2.gz IDCUQCKBLJFAKQ-OAHLLOKOSA-N 1 2 355.442 2.647 20 30 FFEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000128443926 976856114 /nfs/dbraw/zinc/85/61/14/976856114.db2.gz IDCUQCKBLJFAKQ-OAHLLOKOSA-N 1 2 355.442 2.647 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(C(C)(C)C)on1 ZINC001028142840 976869390 /nfs/dbraw/zinc/86/93/90/976869390.db2.gz RHAYGVJBAYDVIG-BBWFWOEESA-N 1 2 361.486 2.644 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(C(C)(C)C)on1 ZINC001028142840 976869402 /nfs/dbraw/zinc/86/94/02/976869402.db2.gz RHAYGVJBAYDVIG-BBWFWOEESA-N 1 2 361.486 2.644 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3cccnc32)[C@H]1C ZINC001088822222 977150438 /nfs/dbraw/zinc/15/04/38/977150438.db2.gz JHTLZVLDFHKBFP-SNPRPXQTSA-N 1 2 364.287 2.599 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3cccnc32)[C@H]1C ZINC001088822222 977150446 /nfs/dbraw/zinc/15/04/46/977150446.db2.gz JHTLZVLDFHKBFP-SNPRPXQTSA-N 1 2 364.287 2.599 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CCC(OC)CC2)[C@H]1C ZINC001088826512 977309950 /nfs/dbraw/zinc/30/99/50/977309950.db2.gz RDMLTAPHVWRBAN-URGYJCLVSA-N 1 2 359.308 2.679 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CCC(OC)CC2)[C@H]1C ZINC001088826512 977309956 /nfs/dbraw/zinc/30/99/56/977309956.db2.gz RDMLTAPHVWRBAN-URGYJCLVSA-N 1 2 359.308 2.679 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3coc(-c4ccc(F)cc4)n3)C[C@H]21 ZINC001075616512 977323853 /nfs/dbraw/zinc/32/38/53/977323853.db2.gz VOZWPNFSYFYDSB-DHSIGJKJSA-N 1 2 368.412 2.673 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)C[C@H]21 ZINC001075616512 977323857 /nfs/dbraw/zinc/32/38/57/977323857.db2.gz VOZWPNFSYFYDSB-DHSIGJKJSA-N 1 2 368.412 2.673 20 30 FFEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCO[C@](C)(C#N)C2)c(C)c1 ZINC000893788452 977553520 /nfs/dbraw/zinc/55/35/20/977553520.db2.gz MTGNMSKZARTBLB-AZUAARDMSA-N 1 2 367.453 2.565 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccnc(F)c2)C1 ZINC001087453171 977753838 /nfs/dbraw/zinc/75/38/38/977753838.db2.gz DVODNELJVCSFPB-QZTJIDSGSA-N 1 2 355.388 2.581 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccnc(F)c2)C1 ZINC001087453171 977753842 /nfs/dbraw/zinc/75/38/42/977753842.db2.gz DVODNELJVCSFPB-QZTJIDSGSA-N 1 2 355.388 2.581 20 30 FFEDLO Cc1ccccc1[C@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000126287650 978106980 /nfs/dbraw/zinc/10/69/80/978106980.db2.gz PZNOGKBIODUAPU-GHTZIAJQSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1ccccc1[C@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000126287650 978106984 /nfs/dbraw/zinc/10/69/84/978106984.db2.gz PZNOGKBIODUAPU-GHTZIAJQSA-N 1 2 352.434 2.680 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4nnc(C)n4C4CC4)C[C@H]32)CC1 ZINC001076209100 979228071 /nfs/dbraw/zinc/22/80/71/979228071.db2.gz YVOFARWRFCSROV-PKOBYXMFSA-N 1 2 369.513 2.701 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4nnc(C)n4C4CC4)C[C@H]32)CC1 ZINC001076209100 979228075 /nfs/dbraw/zinc/22/80/75/979228075.db2.gz YVOFARWRFCSROV-PKOBYXMFSA-N 1 2 369.513 2.701 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@H+](CC(=O)Nc4ccccc4)C[C@H]32)CC1 ZINC001076209052 979228514 /nfs/dbraw/zinc/22/85/14/979228514.db2.gz WVGMRSMXYKVBNX-AZUAARDMSA-N 1 2 367.493 2.904 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)Nc4ccccc4)C[C@H]32)CC1 ZINC001076209052 979228518 /nfs/dbraw/zinc/22/85/18/979228518.db2.gz WVGMRSMXYKVBNX-AZUAARDMSA-N 1 2 367.493 2.904 20 30 FFEDLO CCC(CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001211903919 979412802 /nfs/dbraw/zinc/41/28/02/979412802.db2.gz SDRJUNCIZXEWPQ-RTBURBONSA-N 1 2 362.901 2.943 20 30 FFEDLO CCC(CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001211903919 979412807 /nfs/dbraw/zinc/41/28/07/979412807.db2.gz SDRJUNCIZXEWPQ-RTBURBONSA-N 1 2 362.901 2.943 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3occc3Br)[C@@H]2C1 ZINC001076368072 979428759 /nfs/dbraw/zinc/42/87/59/979428759.db2.gz LTIOLJWOZJACRD-CMPLNLGQSA-N 1 2 359.651 2.941 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3occc3Br)[C@@H]2C1 ZINC001076368072 979428763 /nfs/dbraw/zinc/42/87/63/979428763.db2.gz LTIOLJWOZJACRD-CMPLNLGQSA-N 1 2 359.651 2.941 20 30 FFEDLO COc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)o1 ZINC001076393354 979450941 /nfs/dbraw/zinc/45/09/41/979450941.db2.gz AXKXVMLYCZRUBI-WMLDXEAASA-N 1 2 369.396 2.645 20 30 FFEDLO COc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)o1 ZINC001076393354 979450942 /nfs/dbraw/zinc/45/09/42/979450942.db2.gz AXKXVMLYCZRUBI-WMLDXEAASA-N 1 2 369.396 2.645 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)c3cccnc3)[C@@H]2C1 ZINC001076471898 979549055 /nfs/dbraw/zinc/54/90/55/979549055.db2.gz YXLNGMBSFQYJOI-VNQPRFMTSA-N 1 2 364.287 2.626 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)c3cccnc3)[C@@H]2C1 ZINC001076471898 979549062 /nfs/dbraw/zinc/54/90/62/979549062.db2.gz YXLNGMBSFQYJOI-VNQPRFMTSA-N 1 2 364.287 2.626 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]2C1 ZINC000986476904 980030467 /nfs/dbraw/zinc/03/04/67/980030467.db2.gz GYFVXZNODLRITP-ZBFHGGJFSA-N 1 2 366.465 2.696 20 30 FFEDLO Cc1ccncc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088503922 980183418 /nfs/dbraw/zinc/18/34/18/980183418.db2.gz IVNMZBQCURMXMR-KUHUBIRLSA-N 1 2 352.413 2.794 20 30 FFEDLO Cc1ccncc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088503922 980183423 /nfs/dbraw/zinc/18/34/23/980183423.db2.gz IVNMZBQCURMXMR-KUHUBIRLSA-N 1 2 352.413 2.794 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc([C@H]2CCC(C)(C)c3ccccc32)no1 ZINC000904125559 980190984 /nfs/dbraw/zinc/19/09/84/980190984.db2.gz YBSICEFNCNDISI-HOCLYGCPSA-N 1 2 355.438 2.872 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3ncc(C)o3)C[C@H]21 ZINC001075885201 980476335 /nfs/dbraw/zinc/47/63/35/980476335.db2.gz KDENEEXEPBVJKM-XYJFISCASA-N 1 2 354.454 2.878 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3ncc(C)o3)C[C@H]21 ZINC001075885201 980476337 /nfs/dbraw/zinc/47/63/37/980476337.db2.gz KDENEEXEPBVJKM-XYJFISCASA-N 1 2 354.454 2.878 20 30 FFEDLO C#CCN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C(C)(C)C ZINC000906273965 980610687 /nfs/dbraw/zinc/61/06/87/980610687.db2.gz IADJAMIAXCGOSR-UHFFFAOYSA-N 1 2 352.438 2.786 20 30 FFEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CC3(CC(=O)N3Cc3ccccc3)C2)cc1 ZINC000877717464 1014697271 /nfs/dbraw/zinc/69/72/71/1014697271.db2.gz FGIGQDFNYPMJQT-KRWDZBQOSA-N 1 2 361.445 2.964 20 30 FFEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000988101299 980994296 /nfs/dbraw/zinc/99/42/96/980994296.db2.gz TVFYTNPODIPPJO-CGTJXYLNSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000988101299 980994300 /nfs/dbraw/zinc/99/43/00/980994300.db2.gz TVFYTNPODIPPJO-CGTJXYLNSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CCCC[C@@H](NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000897489572 981296171 /nfs/dbraw/zinc/29/61/71/981296171.db2.gz HXDXNNAEXKTQKA-FUHWJXTLSA-N 1 2 354.454 2.602 20 30 FFEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000908641240 981495749 /nfs/dbraw/zinc/49/57/49/981495749.db2.gz CXAQFDICKHNDQJ-MRXNPFEDSA-N 1 2 368.393 2.920 20 30 FFEDLO C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000909298551 981673509 /nfs/dbraw/zinc/67/35/09/981673509.db2.gz LZBMBXUSOYRDKZ-UHFFFAOYSA-N 1 2 364.457 2.720 20 30 FFEDLO Cc1ncc(CC(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)[C@@H]2C)o1 ZINC001088619696 981701453 /nfs/dbraw/zinc/70/14/53/981701453.db2.gz XGQXYICFSZFBRA-KUHUBIRLSA-N 1 2 371.868 2.810 20 30 FFEDLO Cc1ncc(CC(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)[C@@H]2C)o1 ZINC001088619696 981701457 /nfs/dbraw/zinc/70/14/57/981701457.db2.gz XGQXYICFSZFBRA-KUHUBIRLSA-N 1 2 371.868 2.810 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)CCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001105580349 982425270 /nfs/dbraw/zinc/42/52/70/982425270.db2.gz TWPSFYKYHOPJFS-SJORKVTESA-N 1 2 360.502 2.784 20 30 FFEDLO C=C(C)C[C@H](CO)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000878300823 1014974634 /nfs/dbraw/zinc/97/46/34/1014974634.db2.gz OCSSLPNZZSQZPG-XYJFISCASA-N 1 2 361.486 2.744 20 30 FFEDLO C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912616583 984074192 /nfs/dbraw/zinc/07/41/92/984074192.db2.gz KHGRJCVSBCDCHV-UHFFFAOYSA-N 1 2 365.437 2.799 20 30 FFEDLO CCOc1ccc(C=[NH+]CCCN2C(=O)NC3(CCCCC3)C2=O)c(O)c1 ZINC000912782446 984117817 /nfs/dbraw/zinc/11/78/17/984117817.db2.gz TUOUEDOGEWGWCM-KGENOOAVSA-N 1 2 373.453 2.855 20 30 FFEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nn(C)cc1Cl)CC2 ZINC001107326775 984455159 /nfs/dbraw/zinc/45/51/59/984455159.db2.gz FZUCCZUFPXPHQG-SJLPKXTDSA-N 1 2 350.894 2.901 20 30 FFEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nn(C)cc1Cl)CC2 ZINC001107326775 984455164 /nfs/dbraw/zinc/45/51/64/984455164.db2.gz FZUCCZUFPXPHQG-SJLPKXTDSA-N 1 2 350.894 2.901 20 30 FFEDLO CCC1(Nc2ncccc2C#N)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066846219 1015035742 /nfs/dbraw/zinc/03/57/42/1015035742.db2.gz ILVCMSSIUDRGDL-HZPDHXFCSA-N 1 2 364.453 2.663 20 30 FFEDLO CCC1(Nc2ncccc2C#N)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066846219 1015035753 /nfs/dbraw/zinc/03/57/53/1015035753.db2.gz ILVCMSSIUDRGDL-HZPDHXFCSA-N 1 2 364.453 2.663 20 30 FFEDLO CC#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnc(C3CC3)[nH]1)CC2 ZINC001107512380 984616817 /nfs/dbraw/zinc/61/68/17/984616817.db2.gz AKFSFXGNCIIQNA-DYESRHJHSA-N 1 2 369.513 2.737 20 30 FFEDLO CC#CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnc(C3CC3)[nH]1)CC2 ZINC001107512380 984616818 /nfs/dbraw/zinc/61/68/18/984616818.db2.gz AKFSFXGNCIIQNA-DYESRHJHSA-N 1 2 369.513 2.737 20 30 FFEDLO C=CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(C3CC3)nn1C)CC2 ZINC001107524235 984635003 /nfs/dbraw/zinc/63/50/03/984635003.db2.gz OFWPGHVKMHVHAB-DYESRHJHSA-N 1 2 371.529 2.910 20 30 FFEDLO C=CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nc(C3CC3)nn1C)CC2 ZINC001107524235 984635011 /nfs/dbraw/zinc/63/50/11/984635011.db2.gz OFWPGHVKMHVHAB-DYESRHJHSA-N 1 2 371.529 2.910 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCSC[C@@H]1c1cnn(C)c1)c1ccccc1 ZINC000878502807 1015073609 /nfs/dbraw/zinc/07/36/09/1015073609.db2.gz HJIQUHBIGQIFKU-WOJBJXKFSA-N 1 2 368.506 2.951 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCSC[C@@H]1c1cnn(C)c1)c1ccccc1 ZINC000878502807 1015073617 /nfs/dbraw/zinc/07/36/17/1015073617.db2.gz HJIQUHBIGQIFKU-WOJBJXKFSA-N 1 2 368.506 2.951 20 30 FFEDLO CC(C)(C)OC(=O)NC(C)(C)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000761183597 984876177 /nfs/dbraw/zinc/87/61/77/984876177.db2.gz OBMYXIVDQIMPBD-UHFFFAOYSA-N 1 2 372.513 2.979 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2conc2C2CC2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088846811 984978388 /nfs/dbraw/zinc/97/83/88/984978388.db2.gz IIEQFDLGKKVZMA-KUHUBIRLSA-N 1 2 367.424 2.935 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2conc2C2CC2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088846811 984978391 /nfs/dbraw/zinc/97/83/91/984978391.db2.gz IIEQFDLGKKVZMA-KUHUBIRLSA-N 1 2 367.424 2.935 20 30 FFEDLO N#Cc1ccc2c(C[NH+]3CCN(c4nccnc4Cl)CC3)c[nH]c2c1 ZINC001142911938 985180957 /nfs/dbraw/zinc/18/09/57/985180957.db2.gz PBWQZKMAVMLBGP-UHFFFAOYSA-N 1 2 352.829 2.805 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)c(C)o1 ZINC001088915098 985447187 /nfs/dbraw/zinc/44/71/87/985447187.db2.gz JNYMKQFJCZEDAP-PXAZEXFGSA-N 1 2 370.428 2.949 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)c(C)o1 ZINC001088915098 985447191 /nfs/dbraw/zinc/44/71/91/985447191.db2.gz JNYMKQFJCZEDAP-PXAZEXFGSA-N 1 2 370.428 2.949 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)c(C)o1 ZINC001088915320 985448431 /nfs/dbraw/zinc/44/84/31/985448431.db2.gz WJBOYBSYJOZKKT-PXAZEXFGSA-N 1 2 370.428 2.949 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)c(C)o1 ZINC001088915320 985448438 /nfs/dbraw/zinc/44/84/38/985448438.db2.gz WJBOYBSYJOZKKT-PXAZEXFGSA-N 1 2 370.428 2.949 20 30 FFEDLO C#Cc1cccc(NC(=O)C[NH2+][C@H](C(=O)N(CC)CC)c2ccccc2)c1 ZINC000172083232 985452553 /nfs/dbraw/zinc/45/25/53/985452553.db2.gz RJVASVSOYIZSHH-NRFANRHFSA-N 1 2 363.461 2.806 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncoc2C2CC2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088960272 985627510 /nfs/dbraw/zinc/62/75/10/985627510.db2.gz XUMWFUSHCAUZLB-KDOFPFPSSA-N 1 2 367.424 2.935 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncoc2C2CC2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088960272 985627514 /nfs/dbraw/zinc/62/75/14/985627514.db2.gz XUMWFUSHCAUZLB-KDOFPFPSSA-N 1 2 367.424 2.935 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC000997820908 985761054 /nfs/dbraw/zinc/76/10/54/985761054.db2.gz UQCOJHUJJGUFMR-JJDSTIRJSA-N 1 2 372.513 2.777 20 30 FFEDLO CCc1ncc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@@H]2C)s1 ZINC001089071080 986187090 /nfs/dbraw/zinc/18/70/90/986187090.db2.gz NDYZZCIXJVQYMP-WBVHZDCISA-N 1 2 353.491 2.950 20 30 FFEDLO CCc1ncc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@@H]2C)s1 ZINC001089071080 986187094 /nfs/dbraw/zinc/18/70/94/986187094.db2.gz NDYZZCIXJVQYMP-WBVHZDCISA-N 1 2 353.491 2.950 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CCc1ccsc1 ZINC001212407576 986228445 /nfs/dbraw/zinc/22/84/45/986228445.db2.gz BIBGWXHMTJYRGX-WOJBJXKFSA-N 1 2 368.502 2.548 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CCc1ccsc1 ZINC001212407576 986228461 /nfs/dbraw/zinc/22/84/61/986228461.db2.gz BIBGWXHMTJYRGX-WOJBJXKFSA-N 1 2 368.502 2.548 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC001089229005 986622311 /nfs/dbraw/zinc/62/23/11/986622311.db2.gz TWIBDTRWWWAAKS-KSZLIROESA-N 1 2 361.486 2.695 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1nc(C)c(C)o1 ZINC001089229005 986622314 /nfs/dbraw/zinc/62/23/14/986622314.db2.gz TWIBDTRWWWAAKS-KSZLIROESA-N 1 2 361.486 2.695 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001108022181 986855454 /nfs/dbraw/zinc/85/54/54/986855454.db2.gz DHGHLPHVDLIJIQ-KCZVDYSFSA-N 1 2 354.494 2.801 20 30 FFEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001108022181 986855459 /nfs/dbraw/zinc/85/54/59/986855459.db2.gz DHGHLPHVDLIJIQ-KCZVDYSFSA-N 1 2 354.494 2.801 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001007529903 1015291669 /nfs/dbraw/zinc/29/16/69/1015291669.db2.gz PCWQWYWYHLGAED-AYBZRNKSSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001007529903 1015291677 /nfs/dbraw/zinc/29/16/77/1015291677.db2.gz PCWQWYWYHLGAED-AYBZRNKSSA-N 1 2 359.445 2.593 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001061020929 987228778 /nfs/dbraw/zinc/22/87/78/987228778.db2.gz RNLHPGJIRVUKSG-HZPDHXFCSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001061020929 987228780 /nfs/dbraw/zinc/22/87/80/987228780.db2.gz RNLHPGJIRVUKSG-HZPDHXFCSA-N 1 2 370.497 2.567 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)c1 ZINC001007997338 1015450266 /nfs/dbraw/zinc/45/02/66/1015450266.db2.gz ASFGVFQDSYJFQV-GGPKGHCWSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)c1 ZINC001007997338 1015450267 /nfs/dbraw/zinc/45/02/67/1015450267.db2.gz ASFGVFQDSYJFQV-GGPKGHCWSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001034411372 990066871 /nfs/dbraw/zinc/06/68/71/990066871.db2.gz PUGDQIVYXSSGNH-NMLBUPMWSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001034411372 990066890 /nfs/dbraw/zinc/06/68/90/990066890.db2.gz PUGDQIVYXSSGNH-NMLBUPMWSA-N 1 2 371.456 2.736 20 30 FFEDLO N#C[C@H](C(=O)C[N@@H+]1CCc2ccccc2C1)c1nc2ccccc2c(=O)[nH]1 ZINC000916968790 990080461 /nfs/dbraw/zinc/08/04/61/990080461.db2.gz JOMXAXGOQZUAIB-QGZVFWFLSA-N 1 2 358.401 2.570 20 30 FFEDLO N#C[C@H](C(=O)C[N@H+]1CCc2ccccc2C1)c1nc2ccccc2c(=O)[nH]1 ZINC000916968790 990080476 /nfs/dbraw/zinc/08/04/76/990080476.db2.gz JOMXAXGOQZUAIB-QGZVFWFLSA-N 1 2 358.401 2.570 20 30 FFEDLO Cc1cc(CNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc(C)[nH+]1 ZINC000922927735 990747375 /nfs/dbraw/zinc/74/73/75/990747375.db2.gz VFSFTIFGTLMYLV-GOSISDBHSA-N 1 2 364.453 2.751 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1C(C)(C)C)C1CC[NH+](Cc2cnns2)CC1 ZINC001483983481 991301038 /nfs/dbraw/zinc/30/10/38/991301038.db2.gz CMULPNZBPKEWAY-IAGOWNOFSA-N 1 2 360.527 2.647 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000073804395 991322703 /nfs/dbraw/zinc/32/27/03/991322703.db2.gz GZSMHWIHDIXNEN-LJQANCHMSA-N 1 2 354.450 2.725 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)CC(=O)Nc1ccccc1 ZINC000073804395 991322712 /nfs/dbraw/zinc/32/27/12/991322712.db2.gz GZSMHWIHDIXNEN-LJQANCHMSA-N 1 2 354.450 2.725 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000073804392 991322724 /nfs/dbraw/zinc/32/27/24/991322724.db2.gz GZSMHWIHDIXNEN-IBGZPJMESA-N 1 2 354.450 2.725 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)CC(=O)Nc1ccccc1 ZINC000073804392 991322733 /nfs/dbraw/zinc/32/27/33/991322733.db2.gz GZSMHWIHDIXNEN-IBGZPJMESA-N 1 2 354.450 2.725 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001484438360 991588061 /nfs/dbraw/zinc/58/80/61/991588061.db2.gz PNAJMRXUJKVBBR-UXLLHSPISA-N 1 2 354.903 2.547 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001484438360 991588071 /nfs/dbraw/zinc/58/80/71/991588071.db2.gz PNAJMRXUJKVBBR-UXLLHSPISA-N 1 2 354.903 2.547 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)C[C@H]1OC ZINC001212340281 991738253 /nfs/dbraw/zinc/73/82/53/991738253.db2.gz IQFBURVUGGQMGU-SJLPKXTDSA-N 1 2 350.434 2.506 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(F)c2)C[C@H]1OC ZINC001212340281 991738261 /nfs/dbraw/zinc/73/82/61/991738261.db2.gz IQFBURVUGGQMGU-SJLPKXTDSA-N 1 2 350.434 2.506 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1cc(O)ccc1Cl ZINC001485362744 991918910 /nfs/dbraw/zinc/91/89/10/991918910.db2.gz UKHROZQFKFVWJP-SKDZVZGDSA-N 1 2 366.889 2.963 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1cc(O)ccc1Cl ZINC001485362744 991918915 /nfs/dbraw/zinc/91/89/15/991918915.db2.gz UKHROZQFKFVWJP-SKDZVZGDSA-N 1 2 366.889 2.963 20 30 FFEDLO C=C(Br)C[N@H+](C)CCOCCNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001485772081 992017093 /nfs/dbraw/zinc/01/70/93/992017093.db2.gz HJLUMNPLJOQELV-OWCLPIDISA-N 1 2 371.319 2.562 20 30 FFEDLO C=C(Br)C[N@@H+](C)CCOCCNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001485772081 992017102 /nfs/dbraw/zinc/01/71/02/992017102.db2.gz HJLUMNPLJOQELV-OWCLPIDISA-N 1 2 371.319 2.562 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1cccnc1 ZINC001079360682 992040883 /nfs/dbraw/zinc/04/08/83/992040883.db2.gz IEAMOFIJBQHLKU-DNVCBOLYSA-N 1 2 353.853 2.837 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1cccnc1 ZINC001079360682 992040889 /nfs/dbraw/zinc/04/08/89/992040889.db2.gz IEAMOFIJBQHLKU-DNVCBOLYSA-N 1 2 353.853 2.837 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2F)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588326 992230540 /nfs/dbraw/zinc/23/05/40/992230540.db2.gz DKFPCMBOPFLNMY-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2F)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588326 992230548 /nfs/dbraw/zinc/23/05/48/992230548.db2.gz DKFPCMBOPFLNMY-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2F)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588552 992231805 /nfs/dbraw/zinc/23/18/05/992231805.db2.gz IWBBGHXUBZXJEP-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2F)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588552 992231818 /nfs/dbraw/zinc/23/18/18/992231818.db2.gz IWBBGHXUBZXJEP-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079600945 992250726 /nfs/dbraw/zinc/25/07/26/992250726.db2.gz ABCZQHOPNYOXQV-IUODEOHRSA-N 1 2 371.510 2.891 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079600945 992250734 /nfs/dbraw/zinc/25/07/34/992250734.db2.gz ABCZQHOPNYOXQV-IUODEOHRSA-N 1 2 371.510 2.891 20 30 FFEDLO CC[C@H]1CC[C@H](C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)CC1 ZINC001272703427 992346425 /nfs/dbraw/zinc/34/64/25/992346425.db2.gz PPWASKKLDGCOMK-SAABIXHNSA-N 1 2 354.498 2.757 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001079850933 992533431 /nfs/dbraw/zinc/53/34/31/992533431.db2.gz VKJLALQJNDTPCZ-RHSMWYFYSA-N 1 2 358.873 2.973 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001079850933 992533439 /nfs/dbraw/zinc/53/34/39/992533439.db2.gz VKJLALQJNDTPCZ-RHSMWYFYSA-N 1 2 358.873 2.973 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)c(OC)c2C)C1 ZINC001079929324 992579080 /nfs/dbraw/zinc/57/90/80/992579080.db2.gz YIFVZTLYLCFUFJ-IAQYHMDHSA-N 1 2 352.862 2.815 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)c(OC)c2C)C1 ZINC001079929324 992579083 /nfs/dbraw/zinc/57/90/83/992579083.db2.gz YIFVZTLYLCFUFJ-IAQYHMDHSA-N 1 2 352.862 2.815 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(F)c2F)C1 ZINC001032040515 992738065 /nfs/dbraw/zinc/73/80/65/992738065.db2.gz HHIIOEOUSGJNIP-LPHOPBHVSA-N 1 2 364.436 2.884 20 30 FFEDLO Cc1onc(C2CC2)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080147089 992789938 /nfs/dbraw/zinc/78/99/38/992789938.db2.gz HOBHGCINFVORJD-FZKQIMNGSA-N 1 2 364.449 2.982 20 30 FFEDLO Cc1onc(C2CC2)c1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080147089 992789944 /nfs/dbraw/zinc/78/99/44/992789944.db2.gz HOBHGCINFVORJD-FZKQIMNGSA-N 1 2 364.449 2.982 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C3(C)CCCC3)C2)c1 ZINC001080213553 992832341 /nfs/dbraw/zinc/83/23/41/992832341.db2.gz DAGHCWDPEPSJCT-VQIMIIECSA-N 1 2 367.493 2.623 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C3(C)CCCC3)C2)c1 ZINC001080213553 992832354 /nfs/dbraw/zinc/83/23/54/992832354.db2.gz DAGHCWDPEPSJCT-VQIMIIECSA-N 1 2 367.493 2.623 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ocnc1C(F)F ZINC001080457641 993080178 /nfs/dbraw/zinc/08/01/78/993080178.db2.gz GWCNVQBTBLNHSH-BXUZGUMPSA-N 1 2 360.364 2.734 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ocnc1C(F)F ZINC001080457641 993080184 /nfs/dbraw/zinc/08/01/84/993080184.db2.gz GWCNVQBTBLNHSH-BXUZGUMPSA-N 1 2 360.364 2.734 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1c[nH]nc1C1CC1 ZINC001080704645 993294435 /nfs/dbraw/zinc/29/44/35/993294435.db2.gz CTVAYQGEBPDCJZ-KZULUSFZSA-N 1 2 367.428 2.548 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1c[nH]nc1C1CC1 ZINC001080704645 993294445 /nfs/dbraw/zinc/29/44/45/993294445.db2.gz CTVAYQGEBPDCJZ-KZULUSFZSA-N 1 2 367.428 2.548 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080929413 993485743 /nfs/dbraw/zinc/48/57/43/993485743.db2.gz CJQIMFZMMXTCTE-FZKQIMNGSA-N 1 2 352.438 2.667 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080929413 993485745 /nfs/dbraw/zinc/48/57/45/993485745.db2.gz CJQIMFZMMXTCTE-FZKQIMNGSA-N 1 2 352.438 2.667 20 30 FFEDLO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]2C)cc1 ZINC001081011444 993534029 /nfs/dbraw/zinc/53/40/29/993534029.db2.gz ZRCCTNAVEOTAKJ-CRAIPNDOSA-N 1 2 371.506 2.887 20 30 FFEDLO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+](Cc3nccs3)C[C@H]2C)cc1 ZINC001081011444 993534037 /nfs/dbraw/zinc/53/40/37/993534037.db2.gz ZRCCTNAVEOTAKJ-CRAIPNDOSA-N 1 2 371.506 2.887 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001081159972 993708992 /nfs/dbraw/zinc/70/89/92/993708992.db2.gz NJTBZDVRUVANTA-DLBZAZTESA-N 1 2 354.454 2.674 20 30 FFEDLO COC(=O)[C@](C)(Cc1ccc(F)cc1)[NH2+]CCCC1(C#N)CCOCC1 ZINC000880388484 1015824547 /nfs/dbraw/zinc/82/45/47/1015824547.db2.gz JVSGWQHWTZZMGS-IBGZPJMESA-N 1 2 362.445 2.990 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1CCCC12CC2 ZINC001081850255 994018888 /nfs/dbraw/zinc/01/88/88/994018888.db2.gz BZHYNBXLISMRRC-VAMGGRTRSA-N 1 2 370.468 2.573 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1CCCC12CC2 ZINC001081850255 994018894 /nfs/dbraw/zinc/01/88/94/994018894.db2.gz BZHYNBXLISMRRC-VAMGGRTRSA-N 1 2 370.468 2.573 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1(C2CCC2)CCC1 ZINC001081995598 994092731 /nfs/dbraw/zinc/09/27/31/994092731.db2.gz RWHBFGHIWSSFAV-NHCUHLMSSA-N 1 2 366.505 2.824 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1(C2CCC2)CCC1 ZINC001081995598 994092744 /nfs/dbraw/zinc/09/27/44/994092744.db2.gz RWHBFGHIWSSFAV-NHCUHLMSSA-N 1 2 366.505 2.824 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2OC)CC1 ZINC001082097047 994155065 /nfs/dbraw/zinc/15/50/65/994155065.db2.gz RHEKKCYEUIQSIH-NHCUHLMSSA-N 1 2 370.468 2.739 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2OC)CC1 ZINC001082097047 994155068 /nfs/dbraw/zinc/15/50/68/994155068.db2.gz RHEKKCYEUIQSIH-NHCUHLMSSA-N 1 2 370.468 2.739 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H](C)c1cccs1 ZINC001082125396 994180501 /nfs/dbraw/zinc/18/05/01/994180501.db2.gz VPIQMFDVGGNKCT-QXAKKESOSA-N 1 2 368.502 2.719 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H](C)c1cccs1 ZINC001082125396 994180505 /nfs/dbraw/zinc/18/05/05/994180505.db2.gz VPIQMFDVGGNKCT-QXAKKESOSA-N 1 2 368.502 2.719 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3OC)C[C@H]2OC)C1 ZINC001082106144 994188052 /nfs/dbraw/zinc/18/80/52/994188052.db2.gz CWJUNVQGYWFAEL-SJLPKXTDSA-N 1 2 362.445 2.506 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3OC)C[C@H]2OC)C1 ZINC001082106144 994188057 /nfs/dbraw/zinc/18/80/57/994188057.db2.gz CWJUNVQGYWFAEL-SJLPKXTDSA-N 1 2 362.445 2.506 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@]12C[C@H]1CCCC2 ZINC001082114122 994196476 /nfs/dbraw/zinc/19/64/76/994196476.db2.gz DYUJKEKJHIPOLA-VVHMCBODSA-N 1 2 359.495 2.515 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@]12C[C@H]1CCCC2 ZINC001082114122 994196483 /nfs/dbraw/zinc/19/64/83/994196483.db2.gz DYUJKEKJHIPOLA-VVHMCBODSA-N 1 2 359.495 2.515 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C)cc1F ZINC001082170795 994218200 /nfs/dbraw/zinc/21/82/00/994218200.db2.gz AYMCNQVRJHEBOC-NHCUHLMSSA-N 1 2 366.436 2.615 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C)cc1F ZINC001082170795 994218207 /nfs/dbraw/zinc/21/82/07/994218207.db2.gz AYMCNQVRJHEBOC-NHCUHLMSSA-N 1 2 366.436 2.615 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000808773657 994254643 /nfs/dbraw/zinc/25/46/43/994254643.db2.gz URXNMYQKRDTLCB-IBGZPJMESA-N 1 2 370.497 2.685 20 30 FFEDLO C#CCC1(O)CC[NH+](Cc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC000880480719 1015847755 /nfs/dbraw/zinc/84/77/55/1015847755.db2.gz CXKFYJOBVIFHFB-CYBMUJFWSA-N 1 2 370.522 2.749 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H](C)C1CCCC1 ZINC001082318923 994366627 /nfs/dbraw/zinc/36/66/27/994366627.db2.gz IXHCHMMDOKQJLI-DUXKGJEZSA-N 1 2 354.494 2.680 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H](C)C1CCCC1 ZINC001082318923 994366633 /nfs/dbraw/zinc/36/66/33/994366633.db2.gz IXHCHMMDOKQJLI-DUXKGJEZSA-N 1 2 354.494 2.680 20 30 FFEDLO C#Cc1ccccc1CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000809975655 994654272 /nfs/dbraw/zinc/65/42/72/994654272.db2.gz QSYMQKRFMCZGHL-UHFFFAOYSA-N 1 2 362.477 2.781 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC001082533238 994839745 /nfs/dbraw/zinc/83/97/45/994839745.db2.gz PMVZFIVWIMBMHW-PSASIEDQSA-N 1 2 362.808 2.722 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000811326422 995104920 /nfs/dbraw/zinc/10/49/20/995104920.db2.gz DLSBQIOMKCFFTN-QGZVFWFLSA-N 1 2 369.465 2.830 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncn(-c4ccccc4)n3)C2)C1 ZINC001082729260 995370963 /nfs/dbraw/zinc/37/09/63/995370963.db2.gz KPKRXTTVBAWMLS-SJLPKXTDSA-N 1 2 365.481 2.560 20 30 FFEDLO C#C[C@@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000812526147 995455751 /nfs/dbraw/zinc/45/57/51/995455751.db2.gz CYEJTSSDYRBJRL-GOSISDBHSA-N 1 2 369.421 2.723 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812852237 995553710 /nfs/dbraw/zinc/55/37/10/995553710.db2.gz DUGCICYGFVEBOI-OXJNMPFZSA-N 1 2 372.490 2.776 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812852237 995553716 /nfs/dbraw/zinc/55/37/16/995553716.db2.gz DUGCICYGFVEBOI-OXJNMPFZSA-N 1 2 372.490 2.776 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000826704478 1015975583 /nfs/dbraw/zinc/97/55/83/1015975583.db2.gz UFAMQMCQGKEKHH-OXJNMPFZSA-N 1 2 357.454 2.551 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000826704478 1015975589 /nfs/dbraw/zinc/97/55/89/1015975589.db2.gz UFAMQMCQGKEKHH-OXJNMPFZSA-N 1 2 357.454 2.551 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C3CC3)no2)C1)c1ccccc1 ZINC001082937161 995869147 /nfs/dbraw/zinc/86/91/47/995869147.db2.gz MPOXJQOGQIDQAH-FHLIZLRMSA-N 1 2 366.465 2.853 20 30 FFEDLO O=C(C=C1CCCCC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083017590 996013785 /nfs/dbraw/zinc/01/37/85/996013785.db2.gz JLQHVDCBBRQXJZ-FCHUYYIVSA-N 1 2 364.489 2.840 20 30 FFEDLO O=C(C=C1CCCCC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083017590 996013786 /nfs/dbraw/zinc/01/37/86/996013786.db2.gz JLQHVDCBBRQXJZ-FCHUYYIVSA-N 1 2 364.489 2.840 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CCCC45CC5)[C@H]3C2)s1 ZINC001083119574 996068539 /nfs/dbraw/zinc/06/85/39/996068539.db2.gz AHDIFPQMMXTSBA-OKZBNKHCSA-N 1 2 371.506 2.612 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CCCC45CC5)[C@H]3C2)s1 ZINC001083119574 996068544 /nfs/dbraw/zinc/06/85/44/996068544.db2.gz AHDIFPQMMXTSBA-OKZBNKHCSA-N 1 2 371.506 2.612 20 30 FFEDLO Cc1c[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001096539853 1016018089 /nfs/dbraw/zinc/01/80/89/1016018089.db2.gz XNKUSFOSFKZACX-HOJAQTOUSA-N 1 2 351.425 2.849 20 30 FFEDLO Cc1c[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001096539853 1016018096 /nfs/dbraw/zinc/01/80/96/1016018096.db2.gz XNKUSFOSFKZACX-HOJAQTOUSA-N 1 2 351.425 2.849 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1coc(C)n1 ZINC001049488692 1016018937 /nfs/dbraw/zinc/01/89/37/1016018937.db2.gz ZXTSJTCKLDAKAS-MKXGPGLRSA-N 1 2 359.470 2.530 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1coc(C)n1 ZINC001049488692 1016018946 /nfs/dbraw/zinc/01/89/46/1016018946.db2.gz ZXTSJTCKLDAKAS-MKXGPGLRSA-N 1 2 359.470 2.530 20 30 FFEDLO Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001084232678 996382111 /nfs/dbraw/zinc/38/21/11/996382111.db2.gz DXYQDCOPLVYXEN-DXCKQFNASA-N 1 2 370.478 2.904 20 30 FFEDLO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001084232678 996382118 /nfs/dbraw/zinc/38/21/18/996382118.db2.gz DXYQDCOPLVYXEN-DXCKQFNASA-N 1 2 370.478 2.904 20 30 FFEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3coc(-c4ccccc4)n3)C[C@H]21 ZINC001084232829 996382882 /nfs/dbraw/zinc/38/28/82/996382882.db2.gz JMLDKNKBNHBYDE-YXJHDRRASA-N 1 2 350.422 2.534 20 30 FFEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3coc(-c4ccccc4)n3)C[C@H]21 ZINC001084232829 996382886 /nfs/dbraw/zinc/38/28/86/996382886.db2.gz JMLDKNKBNHBYDE-YXJHDRRASA-N 1 2 350.422 2.534 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(O)ccc4Cl)C[C@H]32)c1 ZINC001084261691 996406999 /nfs/dbraw/zinc/40/69/99/996406999.db2.gz UDPWEMUCHRBSCT-FZKQIMNGSA-N 1 2 370.840 2.592 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(O)ccc4Cl)C[C@H]32)c1 ZINC001084261691 996407005 /nfs/dbraw/zinc/40/70/05/996407005.db2.gz UDPWEMUCHRBSCT-FZKQIMNGSA-N 1 2 370.840 2.592 20 30 FFEDLO O=C(C#CC1CC1)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084334180 996464304 /nfs/dbraw/zinc/46/43/04/996464304.db2.gz RUOPSDDCJCNNDP-UYAOXDASSA-N 1 2 352.865 2.638 20 30 FFEDLO O=C(C#CC1CC1)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084334180 996464308 /nfs/dbraw/zinc/46/43/08/996464308.db2.gz RUOPSDDCJCNNDP-UYAOXDASSA-N 1 2 352.865 2.638 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)cc(C)n1 ZINC001084374965 996500493 /nfs/dbraw/zinc/50/04/93/996500493.db2.gz RWFKVRFOKNEWLD-TZIWHRDSSA-N 1 2 360.461 2.917 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)cc(C)n1 ZINC001084374965 996500496 /nfs/dbraw/zinc/50/04/96/996500496.db2.gz RWFKVRFOKNEWLD-TZIWHRDSSA-N 1 2 360.461 2.917 20 30 FFEDLO C=CC[C@H]1N(C(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)CCCC1(C)C ZINC000803668398 1016042827 /nfs/dbraw/zinc/04/28/27/1016042827.db2.gz OIDMDGHHLPCQIR-QGZVFWFLSA-N 1 2 373.497 2.917 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccsn4)[C@@H]3C2)cc1F ZINC001084439053 996591022 /nfs/dbraw/zinc/59/10/22/996591022.db2.gz QLBBFTGFBSSBOW-RHSMWYFYSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccsn4)[C@@H]3C2)cc1F ZINC001084439053 996591027 /nfs/dbraw/zinc/59/10/27/996591027.db2.gz QLBBFTGFBSSBOW-RHSMWYFYSA-N 1 2 356.426 2.500 20 30 FFEDLO Cc1cnc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)cc1C ZINC001084536279 996656846 /nfs/dbraw/zinc/65/68/46/996656846.db2.gz CTQGQXCTCUMAGN-IFMALSPDSA-N 1 2 359.473 2.896 20 30 FFEDLO Cc1cnc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)cc1C ZINC001084536279 996656849 /nfs/dbraw/zinc/65/68/49/996656849.db2.gz CTQGQXCTCUMAGN-IFMALSPDSA-N 1 2 359.473 2.896 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH]ncc43)[C@@H]2C1 ZINC001084565843 996679835 /nfs/dbraw/zinc/67/98/35/996679835.db2.gz WXKYRBDYQPIQAU-DYESRHJHSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH]ncc43)[C@@H]2C1 ZINC001084565843 996679837 /nfs/dbraw/zinc/67/98/37/996679837.db2.gz WXKYRBDYQPIQAU-DYESRHJHSA-N 1 2 371.444 2.781 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3cc(C)cc(C)c3)C[C@H]21 ZINC001084578391 996692606 /nfs/dbraw/zinc/69/26/06/996692606.db2.gz WKKOYKRYDOTXCG-IEBWSBKVSA-N 1 2 369.509 2.987 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3cc(C)cc(C)c3)C[C@H]21 ZINC001084578391 996692607 /nfs/dbraw/zinc/69/26/07/996692607.db2.gz WKKOYKRYDOTXCG-IEBWSBKVSA-N 1 2 369.509 2.987 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnc4ccc(C)cc43)[C@@H]2C1 ZINC001084604809 996710103 /nfs/dbraw/zinc/71/01/03/996710103.db2.gz SZVCHNBUNIDIFV-CRAIPNDOSA-N 1 2 358.873 2.630 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cnc4ccc(C)cc43)[C@@H]2C1 ZINC001084604809 996710110 /nfs/dbraw/zinc/71/01/10/996710110.db2.gz SZVCHNBUNIDIFV-CRAIPNDOSA-N 1 2 358.873 2.630 20 30 FFEDLO O=C(c1nc(Cl)cs1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084606772 996721192 /nfs/dbraw/zinc/72/11/92/996721192.db2.gz ALGWZAUQMHPCNH-HZPDHXFCSA-N 1 2 371.893 2.995 20 30 FFEDLO O=C(c1nc(Cl)cs1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084606772 996721195 /nfs/dbraw/zinc/72/11/95/996721195.db2.gz ALGWZAUQMHPCNH-HZPDHXFCSA-N 1 2 371.893 2.995 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4cc5n(n4)CCCC5)C[C@H]32)CC1 ZINC001084634826 996748071 /nfs/dbraw/zinc/74/80/71/996748071.db2.gz GGNLEFNOWIFLGE-WIYYLYMNSA-N 1 2 368.525 2.999 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc5n(n4)CCCC5)C[C@H]32)CC1 ZINC001084634826 996748075 /nfs/dbraw/zinc/74/80/75/996748075.db2.gz GGNLEFNOWIFLGE-WIYYLYMNSA-N 1 2 368.525 2.999 20 30 FFEDLO CC(F)(F)CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084638664 996752767 /nfs/dbraw/zinc/75/27/67/996752767.db2.gz MIFYCCACGNNNAZ-GDBMZVCRSA-N 1 2 351.372 2.775 20 30 FFEDLO CC(F)(F)CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084638664 996752768 /nfs/dbraw/zinc/75/27/68/996752768.db2.gz MIFYCCACGNNNAZ-GDBMZVCRSA-N 1 2 351.372 2.775 20 30 FFEDLO CCc1ncoc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084648093 996760601 /nfs/dbraw/zinc/76/06/01/996760601.db2.gz UJRDTTBVWQNOBH-CRAIPNDOSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1ncoc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084648093 996760605 /nfs/dbraw/zinc/76/06/05/996760605.db2.gz UJRDTTBVWQNOBH-CRAIPNDOSA-N 1 2 368.412 2.594 20 30 FFEDLO C=CCOCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679498692 1016080514 /nfs/dbraw/zinc/08/05/14/1016080514.db2.gz RXIADQNMBFOHOB-HOTGVXAUSA-N 1 2 355.841 2.726 20 30 FFEDLO C=CCOCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679498692 1016080526 /nfs/dbraw/zinc/08/05/26/1016080526.db2.gz RXIADQNMBFOHOB-HOTGVXAUSA-N 1 2 355.841 2.726 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4nc[nH]c43)[C@@H]2C1 ZINC001084735409 997138473 /nfs/dbraw/zinc/13/84/73/997138473.db2.gz LKQHYTNVLSBEPJ-YLJYHZDGSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4nc[nH]c43)[C@@H]2C1 ZINC001084735409 997138483 /nfs/dbraw/zinc/13/84/83/997138483.db2.gz LKQHYTNVLSBEPJ-YLJYHZDGSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC2(CC1)CN(CC1CC1)C(=O)CO2 ZINC001143723889 997601046 /nfs/dbraw/zinc/60/10/46/997601046.db2.gz JWWCDMKBJFFEPU-UHFFFAOYSA-N 1 2 373.884 2.815 20 30 FFEDLO CCc1ncc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)s1 ZINC001084862351 997693575 /nfs/dbraw/zinc/69/35/75/997693575.db2.gz HNCARONXRHIWOV-QZTJIDSGSA-N 1 2 365.502 2.904 20 30 FFEDLO CCc1ncc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)s1 ZINC001084862351 997693579 /nfs/dbraw/zinc/69/35/79/997693579.db2.gz HNCARONXRHIWOV-QZTJIDSGSA-N 1 2 365.502 2.904 20 30 FFEDLO Cc1nc[nH]c1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084872055 997745800 /nfs/dbraw/zinc/74/58/00/997745800.db2.gz SPAMYTJWURRVJD-SJLPKXTDSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1nc[nH]c1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084872055 997745811 /nfs/dbraw/zinc/74/58/11/997745811.db2.gz SPAMYTJWURRVJD-SJLPKXTDSA-N 1 2 368.868 2.570 20 30 FFEDLO C#CCCOc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3cc[nH+]c(C)n3)C2)cc1 ZINC001091000547 998063243 /nfs/dbraw/zinc/06/32/43/998063243.db2.gz BSDYSHYIYDHOBD-DNVCBOLYSA-N 1 2 364.449 2.760 20 30 FFEDLO CCc1nc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)cs1 ZINC001084925689 998115578 /nfs/dbraw/zinc/11/55/78/998115578.db2.gz SLLPCUMWTFAPNT-DYVFJYSZSA-N 1 2 369.494 2.642 20 30 FFEDLO CCc1nc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)cs1 ZINC001084925689 998115585 /nfs/dbraw/zinc/11/55/85/998115585.db2.gz SLLPCUMWTFAPNT-DYVFJYSZSA-N 1 2 369.494 2.642 20 30 FFEDLO CCn1cc(C[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C(C)C)cn1 ZINC000844736964 998133660 /nfs/dbraw/zinc/13/36/60/998133660.db2.gz IZDBLOHYYMKHMC-UHFFFAOYSA-N 1 2 353.470 2.683 20 30 FFEDLO CCn1cc(C[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C(C)C)cn1 ZINC000844736964 998133667 /nfs/dbraw/zinc/13/36/67/998133667.db2.gz IZDBLOHYYMKHMC-UHFFFAOYSA-N 1 2 353.470 2.683 20 30 FFEDLO C[C@@H](CC(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)n1cc[nH+]c1 ZINC000845279615 998462038 /nfs/dbraw/zinc/46/20/38/998462038.db2.gz DILKNQBNXJQLEK-GJZGRUSLSA-N 1 2 372.400 2.852 20 30 FFEDLO CN(C[C@H](O)c1cccc(C#N)c1)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000845609204 998616404 /nfs/dbraw/zinc/61/64/04/998616404.db2.gz QWMMUCMFSSRJSQ-INIZCTEOSA-N 1 2 350.426 2.623 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001085004789 998651463 /nfs/dbraw/zinc/65/14/63/998651463.db2.gz KBTIDMBZCLZIJM-SJORKVTESA-N 1 2 359.518 2.884 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001085004789 998651465 /nfs/dbraw/zinc/65/14/65/998651465.db2.gz KBTIDMBZCLZIJM-SJORKVTESA-N 1 2 359.518 2.884 20 30 FFEDLO C#Cc1ccc(CN2CCc3c([nH+]cn3C(C)C)[C@@H]2CNC(C)=O)cc1 ZINC001144569113 998659822 /nfs/dbraw/zinc/65/98/22/998659822.db2.gz KGQBKZVQLZXPHV-FQEVSTJZSA-N 1 2 350.466 2.681 20 30 FFEDLO C=CCOC(=O)N1CCC[C@@]2(CCN(Cc3[nH+]cn4ccccc34)C2)C1 ZINC001144610727 998679584 /nfs/dbraw/zinc/67/95/84/998679584.db2.gz BXZUVMDMTBBQQO-FQEVSTJZSA-N 1 2 354.454 2.945 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3sc(N(C)C)nc3C)C[C@@H]21 ZINC001085050757 998773287 /nfs/dbraw/zinc/77/32/87/998773287.db2.gz YDUKAUCUCKRQBX-KGLIPLIRSA-N 1 2 368.934 2.806 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3sc(N(C)C)nc3C)C[C@@H]21 ZINC001085050757 998773293 /nfs/dbraw/zinc/77/32/93/998773293.db2.gz YDUKAUCUCKRQBX-KGLIPLIRSA-N 1 2 368.934 2.806 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2noc(C3CC3)n2)cc1 ZINC001085293047 999314836 /nfs/dbraw/zinc/31/48/36/999314836.db2.gz QCDZZSWIWIHRLX-QZTJIDSGSA-N 1 2 364.449 2.759 20 30 FFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCSc2ccncc2)CC1 ZINC000826802906 999420498 /nfs/dbraw/zinc/42/04/98/999420498.db2.gz KSCDYXWVKRFZFH-UHFFFAOYSA-N 1 2 355.467 2.733 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066278559 999578958 /nfs/dbraw/zinc/57/89/58/999578958.db2.gz NSKXFHFESXGCGW-KZNAEPCWSA-N 1 2 370.497 2.779 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066278559 999578960 /nfs/dbraw/zinc/57/89/60/999578960.db2.gz NSKXFHFESXGCGW-KZNAEPCWSA-N 1 2 370.497 2.779 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001085650118 999602876 /nfs/dbraw/zinc/60/28/76/999602876.db2.gz IDGOEZYIOVBINK-RLLQIKCJSA-N 1 2 358.457 2.525 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001085650118 999602877 /nfs/dbraw/zinc/60/28/77/999602877.db2.gz IDGOEZYIOVBINK-RLLQIKCJSA-N 1 2 358.457 2.525 20 30 FFEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719320 999614150 /nfs/dbraw/zinc/61/41/50/999614150.db2.gz QEFYDATUFQRAFU-QFUCXCTJSA-N 1 2 371.456 2.689 20 30 FFEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719320 999614152 /nfs/dbraw/zinc/61/41/52/999614152.db2.gz QEFYDATUFQRAFU-QFUCXCTJSA-N 1 2 371.456 2.689 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1oc(C(C)C)nc1C ZINC001085823231 999644525 /nfs/dbraw/zinc/64/45/25/999644525.db2.gz CTHSQTFBXPATAI-ZACQAIPSSA-N 1 2 361.486 2.730 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1oc(C(C)C)nc1C ZINC001085823231 999644528 /nfs/dbraw/zinc/64/45/28/999644528.db2.gz CTHSQTFBXPATAI-ZACQAIPSSA-N 1 2 361.486 2.730 20 30 FFEDLO CC[N@H+](C)[C@H](C(=O)OCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000741150685 999712038 /nfs/dbraw/zinc/71/20/38/999712038.db2.gz LBSGUELYVITJJW-IBGZPJMESA-N 1 2 351.406 2.733 20 30 FFEDLO CC[N@@H+](C)[C@H](C(=O)OCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000741150685 999712040 /nfs/dbraw/zinc/71/20/40/999712040.db2.gz LBSGUELYVITJJW-IBGZPJMESA-N 1 2 351.406 2.733 20 30 FFEDLO Cc1ccc(N2CC[C@H](N3CC[NH+](Cc4ccc(C#N)cc4)CC3)C2=O)cc1 ZINC000741773911 999741469 /nfs/dbraw/zinc/74/14/69/999741469.db2.gz BXABUFLDVXVOQX-QFIPXVFZSA-N 1 2 374.488 2.790 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1ccnn1[C@@H](C)C1CC1)Cc1ccc(OC)cc1 ZINC000741780107 999741805 /nfs/dbraw/zinc/74/18/05/999741805.db2.gz ARYFIHFXIBJBCZ-INIZCTEOSA-N 1 2 368.481 2.911 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1ccnn1[C@@H](C)C1CC1)Cc1ccc(OC)cc1 ZINC000741780107 999741809 /nfs/dbraw/zinc/74/18/09/999741809.db2.gz ARYFIHFXIBJBCZ-INIZCTEOSA-N 1 2 368.481 2.911 20 30 FFEDLO Cn1cc[nH+]c1C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000742859039 999791687 /nfs/dbraw/zinc/79/16/87/999791687.db2.gz RUMDUFDXUGMXRY-FQEVSTJZSA-N 1 2 374.444 2.965 20 30 FFEDLO C[N@H+](CCc1cccs1)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000743381970 999816103 /nfs/dbraw/zinc/81/61/03/999816103.db2.gz JOBZIPKNHUFCSO-LJQANCHMSA-N 1 2 368.462 2.519 20 30 FFEDLO C[N@@H+](CCc1cccs1)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000743381970 999816104 /nfs/dbraw/zinc/81/61/04/999816104.db2.gz JOBZIPKNHUFCSO-LJQANCHMSA-N 1 2 368.462 2.519 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000745079077 999893718 /nfs/dbraw/zinc/89/37/18/999893718.db2.gz JHHREMBLNYTVFO-WMZOPIPTSA-N 1 2 357.454 2.658 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC000745079077 999893720 /nfs/dbraw/zinc/89/37/20/999893720.db2.gz JHHREMBLNYTVFO-WMZOPIPTSA-N 1 2 357.454 2.658 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CCCC1)C2 ZINC001108992691 1000145425 /nfs/dbraw/zinc/14/54/25/1000145425.db2.gz ATKPFYYODXIPJE-HOJAQTOUSA-N 1 2 353.466 2.739 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CCCC1)C2 ZINC001108992691 1000145426 /nfs/dbraw/zinc/14/54/26/1000145426.db2.gz ATKPFYYODXIPJE-HOJAQTOUSA-N 1 2 353.466 2.739 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)sc1C ZINC001109037703 1000157359 /nfs/dbraw/zinc/15/73/59/1000157359.db2.gz CWBGKAOREDYXEI-ANRZDRKOSA-N 1 2 363.527 2.963 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)sc1C ZINC001109037703 1000157361 /nfs/dbraw/zinc/15/73/61/1000157361.db2.gz CWBGKAOREDYXEI-ANRZDRKOSA-N 1 2 363.527 2.963 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[C@@H]2CCOC2)C3)c1 ZINC001109143501 1000177025 /nfs/dbraw/zinc/17/70/25/1000177025.db2.gz AYQHXBPYAMZTNV-JBCDFXQESA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[C@@H]2CCOC2)C3)c1 ZINC001109143501 1000177026 /nfs/dbraw/zinc/17/70/26/1000177026.db2.gz AYQHXBPYAMZTNV-JBCDFXQESA-N 1 2 371.456 2.736 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)Nc1ccccc1 ZINC001109171138 1000179317 /nfs/dbraw/zinc/17/93/17/1000179317.db2.gz FTIGMJDMMQNHNS-LMCOJAPRSA-N 1 2 367.493 2.929 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)Nc1ccccc1 ZINC001109171138 1000179318 /nfs/dbraw/zinc/17/93/18/1000179318.db2.gz FTIGMJDMMQNHNS-LMCOJAPRSA-N 1 2 367.493 2.929 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001109259771 1000204917 /nfs/dbraw/zinc/20/49/17/1000204917.db2.gz RHZCHVJSBWBMQI-AABGKKOBSA-N 1 2 352.453 2.948 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001109259771 1000204921 /nfs/dbraw/zinc/20/49/21/1000204921.db2.gz RHZCHVJSBWBMQI-AABGKKOBSA-N 1 2 352.453 2.948 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F)C1CC1 ZINC001109293875 1000239851 /nfs/dbraw/zinc/23/98/51/1000239851.db2.gz JOQNZDGCZUEQOR-GTAWCEEGSA-N 1 2 371.456 2.734 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F)C1CC1 ZINC001109293875 1000239857 /nfs/dbraw/zinc/23/98/57/1000239857.db2.gz JOQNZDGCZUEQOR-GTAWCEEGSA-N 1 2 371.456 2.734 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)C1CC1 ZINC001109295209 1000241031 /nfs/dbraw/zinc/24/10/31/1000241031.db2.gz ZXDSAVFAVUJVKX-IVAOSVALSA-N 1 2 370.468 2.714 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)C1CC1 ZINC001109295209 1000241042 /nfs/dbraw/zinc/24/10/42/1000241042.db2.gz ZXDSAVFAVUJVKX-IVAOSVALSA-N 1 2 370.468 2.714 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)[C@H]2C1 ZINC001091205448 1000243781 /nfs/dbraw/zinc/24/37/81/1000243781.db2.gz BXXXCNORIMYHRE-IRXDYDNUSA-N 1 2 358.486 2.538 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCC1 ZINC001109336515 1000285864 /nfs/dbraw/zinc/28/58/64/1000285864.db2.gz HBQFVGMPKFBOPA-SQNIBIBYSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCC1 ZINC001109336515 1000285869 /nfs/dbraw/zinc/28/58/69/1000285869.db2.gz HBQFVGMPKFBOPA-SQNIBIBYSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCc2ccccc21 ZINC001109353085 1000298548 /nfs/dbraw/zinc/29/85/48/1000298548.db2.gz IJVWXQYHFUMCJB-HBFSDRIKSA-N 1 2 367.493 2.654 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCc2ccccc21 ZINC001109353085 1000298555 /nfs/dbraw/zinc/29/85/55/1000298555.db2.gz IJVWXQYHFUMCJB-HBFSDRIKSA-N 1 2 367.493 2.654 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1c(C)nn(C)c1C)C2 ZINC001096663438 1016417397 /nfs/dbraw/zinc/41/73/97/1016417397.db2.gz MLZRWEAIRMJMOM-MWNCTCPHSA-N 1 2 350.894 2.614 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1c(C)nn(C)c1C)C2 ZINC001096663438 1016417401 /nfs/dbraw/zinc/41/74/01/1016417401.db2.gz MLZRWEAIRMJMOM-MWNCTCPHSA-N 1 2 350.894 2.614 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)Nc1ccccc1 ZINC001109624840 1000730921 /nfs/dbraw/zinc/73/09/21/1000730921.db2.gz FNZXTEJPGGRGOY-LMCOJAPRSA-N 1 2 367.493 2.929 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)Nc1ccccc1 ZINC001109624840 1000730930 /nfs/dbraw/zinc/73/09/30/1000730930.db2.gz FNZXTEJPGGRGOY-LMCOJAPRSA-N 1 2 367.493 2.929 20 30 FFEDLO Cc1ccc(C#N)c(N[C@@H]2CC[C@H](CNC(=O)CCCn3cc[nH+]c3)C2)n1 ZINC001091585909 1000731810 /nfs/dbraw/zinc/73/18/10/1000731810.db2.gz FZLFONNTKKOTBF-FUHWJXTLSA-N 1 2 366.469 2.635 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCCC1 ZINC001109625284 1000737136 /nfs/dbraw/zinc/73/71/36/1000737136.db2.gz XHCWIUMIPIWPBI-AABGKKOBSA-N 1 2 373.541 2.741 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCCC1 ZINC001109625284 1000737144 /nfs/dbraw/zinc/73/71/44/1000737144.db2.gz XHCWIUMIPIWPBI-AABGKKOBSA-N 1 2 373.541 2.741 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109692543 1000865028 /nfs/dbraw/zinc/86/50/28/1000865028.db2.gz ZOJINDIMYQOQEA-FUMNGEBKSA-N 1 2 355.482 2.841 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109692543 1000865035 /nfs/dbraw/zinc/86/50/35/1000865035.db2.gz ZOJINDIMYQOQEA-FUMNGEBKSA-N 1 2 355.482 2.841 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[C@@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001091630410 1000889482 /nfs/dbraw/zinc/88/94/82/1000889482.db2.gz NBFXSOPEEWFITG-JKSUJKDBSA-N 1 2 371.529 2.764 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[C@@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001091630410 1000889486 /nfs/dbraw/zinc/88/94/86/1000889486.db2.gz NBFXSOPEEWFITG-JKSUJKDBSA-N 1 2 371.529 2.764 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H](CNc2cc[nH+]c(C)n2)[C@H](OCC)C1 ZINC001091670683 1001009797 /nfs/dbraw/zinc/00/97/97/1001009797.db2.gz ADDVXSADTIOQJM-QZTJIDSGSA-N 1 2 358.486 2.829 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCCCC)C(C)C)C2 ZINC001109944587 1001186278 /nfs/dbraw/zinc/18/62/78/1001186278.db2.gz MNGIYBWEBRKTQF-XWSJACJDSA-N 1 2 363.546 2.863 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCCCC)C(C)C)C2 ZINC001109944587 1001186283 /nfs/dbraw/zinc/18/62/83/1001186283.db2.gz MNGIYBWEBRKTQF-XWSJACJDSA-N 1 2 363.546 2.863 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001110005220 1001278139 /nfs/dbraw/zinc/27/81/39/1001278139.db2.gz MRVFHSLPDFFQFC-LNLFQRSKSA-N 1 2 370.497 2.950 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cc(C2CC2)no1 ZINC001097955884 1016494557 /nfs/dbraw/zinc/49/45/57/1016494557.db2.gz BCTQAXPTYZAKRL-RLLQIKCJSA-N 1 2 361.445 2.939 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cc(C2CC2)no1 ZINC001097955884 1016494566 /nfs/dbraw/zinc/49/45/66/1016494566.db2.gz BCTQAXPTYZAKRL-RLLQIKCJSA-N 1 2 361.445 2.939 20 30 FFEDLO C=CCN1CC[C@H](O[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)C1=O ZINC000786894509 1001640045 /nfs/dbraw/zinc/64/00/45/1001640045.db2.gz WSSUETQYCBOJOF-IBGZPJMESA-N 1 2 365.433 2.689 20 30 FFEDLO CC[NH+](CC)[C@@H](C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000787698859 1001707576 /nfs/dbraw/zinc/70/75/76/1001707576.db2.gz VXRMVRPWKYJULM-NVXWUHKLSA-N 1 2 357.454 2.564 20 30 FFEDLO O=C(N=C(NO)c1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001182559609 1001957531 /nfs/dbraw/zinc/95/75/31/1001957531.db2.gz SWNIQLNJHYZUBS-AWEZNQCLSA-N 1 2 371.359 2.712 20 30 FFEDLO O=C(N=C(NO)c1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[N@H+]1CC1CC1 ZINC001182559609 1001957540 /nfs/dbraw/zinc/95/75/40/1001957540.db2.gz SWNIQLNJHYZUBS-AWEZNQCLSA-N 1 2 371.359 2.712 20 30 FFEDLO C(=NNCCc1ccccn1)c1ccc(C=[NH+]NCCc2ccccn2)cc1 ZINC000789124769 1001974462 /nfs/dbraw/zinc/97/44/62/1001974462.db2.gz LTZCMKAYQIYUDF-UHFFFAOYSA-N 1 2 372.476 2.809 20 30 FFEDLO CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@H](C)c1ccc(C#N)cc1)C2 ZINC001182793000 1002039711 /nfs/dbraw/zinc/03/97/11/1002039711.db2.gz WKVHIGPSRXPVSX-OAHLLOKOSA-N 1 2 365.481 2.810 20 30 FFEDLO CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@H](C)c1ccc(C#N)cc1)C2 ZINC001182793000 1002039721 /nfs/dbraw/zinc/03/97/21/1002039721.db2.gz WKVHIGPSRXPVSX-OAHLLOKOSA-N 1 2 365.481 2.810 20 30 FFEDLO Cc1nc(N2CC[C@H](NC(=O)C#CC(C)(C)C)[C@H]2C)c2c([nH+]1)CCCC2 ZINC001091962241 1002099906 /nfs/dbraw/zinc/09/99/06/1002099906.db2.gz WQQJJFOSBKTALZ-PBHICJAKSA-N 1 2 354.498 2.797 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001091978570 1002239029 /nfs/dbraw/zinc/23/90/29/1002239029.db2.gz WBACVNQBEMGRJR-UXPWSPDFSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001091978570 1002239034 /nfs/dbraw/zinc/23/90/34/1002239034.db2.gz WBACVNQBEMGRJR-UXPWSPDFSA-N 1 2 359.518 2.742 20 30 FFEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[C@H](C#N)Cc1ccc(O)cc1 ZINC001183609835 1002314786 /nfs/dbraw/zinc/31/47/86/1002314786.db2.gz RSUFKBZXRHFBBO-SFHVURJKSA-N 1 2 360.417 2.919 20 30 FFEDLO COC[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183829333 1002401748 /nfs/dbraw/zinc/40/17/48/1002401748.db2.gz TWRWGGSRFXHOOG-WOJBJXKFSA-N 1 2 355.482 2.940 20 30 FFEDLO COC[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183829333 1002401751 /nfs/dbraw/zinc/40/17/51/1002401751.db2.gz TWRWGGSRFXHOOG-WOJBJXKFSA-N 1 2 355.482 2.940 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCc2cnccc2C1 ZINC001183829225 1002401994 /nfs/dbraw/zinc/40/19/94/1002401994.db2.gz KMFYSFGZBHKHJJ-OAQYLSRUSA-N 1 2 360.461 2.893 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCc2cnccc2C1 ZINC001183829225 1002401998 /nfs/dbraw/zinc/40/19/98/1002401998.db2.gz KMFYSFGZBHKHJJ-OAQYLSRUSA-N 1 2 360.461 2.893 20 30 FFEDLO Cc1cc(C[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)on1 ZINC001183830160 1002402231 /nfs/dbraw/zinc/40/22/31/1002402231.db2.gz VIIMURHGPYGUMS-MGPUTAFESA-N 1 2 366.465 2.957 20 30 FFEDLO Cc1cc(C[C@H](C)NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)on1 ZINC001183830160 1002402235 /nfs/dbraw/zinc/40/22/35/1002402235.db2.gz VIIMURHGPYGUMS-MGPUTAFESA-N 1 2 366.465 2.957 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)/C(C)=C\CC)C3)c1 ZINC001110349822 1002613315 /nfs/dbraw/zinc/61/33/15/1002613315.db2.gz XDDQHRDIJCPMDM-PJJPWIINSA-N 1 2 365.477 2.684 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)/C(C)=C\CC)C3)c1 ZINC001110349822 1002613321 /nfs/dbraw/zinc/61/33/21/1002613321.db2.gz XDDQHRDIJCPMDM-PJJPWIINSA-N 1 2 365.477 2.684 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](c3ccccc3)N(C)C)C[C@]2(C)C1 ZINC001092305087 1002639641 /nfs/dbraw/zinc/63/96/41/1002639641.db2.gz ZTCLTSVTIWLFFJ-GGPKGHCWSA-N 1 2 361.917 2.822 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](c3ccccc3)N(C)C)C[C@]2(C)C1 ZINC001092305087 1002639649 /nfs/dbraw/zinc/63/96/49/1002639649.db2.gz ZTCLTSVTIWLFFJ-GGPKGHCWSA-N 1 2 361.917 2.822 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)[nH]n1 ZINC001096822540 1016653086 /nfs/dbraw/zinc/65/30/86/1016653086.db2.gz NYGKGZBCPRMEFH-SUMDDJOVSA-N 1 2 367.428 2.518 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)[nH]n1 ZINC001096822540 1016653091 /nfs/dbraw/zinc/65/30/91/1016653091.db2.gz NYGKGZBCPRMEFH-SUMDDJOVSA-N 1 2 367.428 2.518 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cc(C)ncn2)C1 ZINC001092316297 1002670172 /nfs/dbraw/zinc/67/01/72/1002670172.db2.gz XQNCDISQKZCTKJ-DJIMGWMZSA-N 1 2 368.485 2.527 20 30 FFEDLO CCCCCCCC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001110130856 1002718336 /nfs/dbraw/zinc/71/83/36/1002718336.db2.gz IFGIVXMWILAOPS-MHORFTMASA-N 1 2 351.535 2.841 20 30 FFEDLO CCCCCCCC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001110130856 1002718343 /nfs/dbraw/zinc/71/83/43/1002718343.db2.gz IFGIVXMWILAOPS-MHORFTMASA-N 1 2 351.535 2.841 20 30 FFEDLO N#Cc1ccnc(N2CCC[C@@H](OC(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000791977561 1002860949 /nfs/dbraw/zinc/86/09/49/1002860949.db2.gz WVMRWBWDAQQCFM-LJQANCHMSA-N 1 2 373.416 2.965 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc(C)n2C)C1 ZINC001086605583 1002917830 /nfs/dbraw/zinc/91/78/30/1002917830.db2.gz LRSDTOMNXNEKNW-DLBZAZTESA-N 1 2 358.873 2.679 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc(C)n2C)C1 ZINC001086605583 1002917837 /nfs/dbraw/zinc/91/78/37/1002917837.db2.gz LRSDTOMNXNEKNW-DLBZAZTESA-N 1 2 358.873 2.679 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)sc1C ZINC001110365905 1003011453 /nfs/dbraw/zinc/01/14/53/1003011453.db2.gz CWBGKAOREDYXEI-UOQGXUADSA-N 1 2 363.527 2.963 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)sc1C ZINC001110365905 1003011465 /nfs/dbraw/zinc/01/14/65/1003011465.db2.gz CWBGKAOREDYXEI-UOQGXUADSA-N 1 2 363.527 2.963 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cccc(CC)c1 ZINC001110371050 1003091444 /nfs/dbraw/zinc/09/14/44/1003091444.db2.gz AFEYAVRUONWNIA-QRVBRYPASA-N 1 2 355.482 2.875 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cccc(CC)c1 ZINC001110371050 1003091453 /nfs/dbraw/zinc/09/14/53/1003091453.db2.gz AFEYAVRUONWNIA-QRVBRYPASA-N 1 2 355.482 2.875 20 30 FFEDLO Cc1ccncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096911918 1016725011 /nfs/dbraw/zinc/72/50/11/1016725011.db2.gz RKTXWDIKYQPBEX-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1ccncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096911918 1016725024 /nfs/dbraw/zinc/72/50/24/1016725024.db2.gz RKTXWDIKYQPBEX-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)C2)nn1 ZINC001185941948 1003120887 /nfs/dbraw/zinc/12/08/87/1003120887.db2.gz DTMWGMMGHRMVCQ-YTQUADARSA-N 1 2 371.529 2.627 20 30 FFEDLO Cc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(C#N)c1 ZINC001186169749 1003225563 /nfs/dbraw/zinc/22/55/63/1003225563.db2.gz UHGMFKQSAWILEK-UHFFFAOYSA-N 1 2 352.419 2.531 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC)c1ccccc1 ZINC001110134218 1003235945 /nfs/dbraw/zinc/23/59/45/1003235945.db2.gz RPHIPBUVQHQZPF-RNQOJCNYSA-N 1 2 369.509 2.594 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC)c1ccccc1 ZINC001110134218 1003235951 /nfs/dbraw/zinc/23/59/51/1003235951.db2.gz RPHIPBUVQHQZPF-RNQOJCNYSA-N 1 2 369.509 2.594 20 30 FFEDLO C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1CNc1cccc(F)c1C#N ZINC001092653005 1003345074 /nfs/dbraw/zinc/34/50/74/1003345074.db2.gz LDVSQTGSLKRDTE-HZPDHXFCSA-N 1 2 369.444 2.881 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CCCCO2)C3)c(F)c1 ZINC001096939850 1016766639 /nfs/dbraw/zinc/76/66/39/1016766639.db2.gz HWAWAIANONWJOT-BWPNAZKDSA-N 1 2 371.456 2.878 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CCCCO2)C3)c(F)c1 ZINC001096939850 1016766654 /nfs/dbraw/zinc/76/66/54/1016766654.db2.gz HWAWAIANONWJOT-BWPNAZKDSA-N 1 2 371.456 2.878 20 30 FFEDLO C[C@@]1(C2CCCC2)CC(=O)N(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793589065 1003431440 /nfs/dbraw/zinc/43/14/40/1003431440.db2.gz GHIPCFJEEYIPEE-GHTZIAJQSA-N 1 2 368.481 2.793 20 30 FFEDLO C[C@@]1(C2CCCC2)CC(=O)N(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793589065 1003431446 /nfs/dbraw/zinc/43/14/46/1003431446.db2.gz GHIPCFJEEYIPEE-GHTZIAJQSA-N 1 2 368.481 2.793 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001092806546 1003557303 /nfs/dbraw/zinc/55/73/03/1003557303.db2.gz SFLZGEMGMFXRCJ-NCOADZHNSA-N 1 2 358.486 2.555 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C)OCC ZINC001092888049 1003654058 /nfs/dbraw/zinc/65/40/58/1003654058.db2.gz NDDOHFWILQJVBY-XWSJACJDSA-N 1 2 372.513 2.999 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cc2n(n1)CCCC2 ZINC001095587225 1016806950 /nfs/dbraw/zinc/80/69/50/1016806950.db2.gz AZUBMLSRBGGPQX-CBQOVEMMSA-N 1 2 374.488 2.606 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cc2n(n1)CCCC2 ZINC001095587225 1016806958 /nfs/dbraw/zinc/80/69/58/1016806958.db2.gz AZUBMLSRBGGPQX-CBQOVEMMSA-N 1 2 374.488 2.606 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc(F)c1)C2 ZINC001096946350 1016809382 /nfs/dbraw/zinc/80/93/82/1016809382.db2.gz QNIVEBWFBGRTON-QRVBRYPASA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc(F)c1)C2 ZINC001096946350 1016809399 /nfs/dbraw/zinc/80/93/99/1016809399.db2.gz QNIVEBWFBGRTON-QRVBRYPASA-N 1 2 350.397 2.628 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3ccc(F)cc3C#N)C2)CC1 ZINC000804835598 1003870569 /nfs/dbraw/zinc/87/05/69/1003870569.db2.gz SQRBYACLRPHAAQ-KRWDZBQOSA-N 1 2 374.460 2.829 20 30 FFEDLO CCCC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001192590467 1004208210 /nfs/dbraw/zinc/20/82/10/1004208210.db2.gz HSDPPVVOAMIABM-KFKAGJAMSA-N 1 2 362.901 2.679 20 30 FFEDLO CCCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001192590467 1004208216 /nfs/dbraw/zinc/20/82/16/1004208216.db2.gz HSDPPVVOAMIABM-KFKAGJAMSA-N 1 2 362.901 2.679 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@H]1O ZINC001193241659 1004416184 /nfs/dbraw/zinc/41/61/84/1004416184.db2.gz WVECEEOIMHHCSI-UPRAQXHNSA-N 1 2 364.436 2.956 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@H]1O ZINC001193241659 1004416188 /nfs/dbraw/zinc/41/61/88/1004416188.db2.gz WVECEEOIMHHCSI-UPRAQXHNSA-N 1 2 364.436 2.956 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ncc(F)cc1F ZINC001095622942 1016876251 /nfs/dbraw/zinc/87/62/51/1016876251.db2.gz NKVYSWFQGPFEGN-NEWSRXKRSA-N 1 2 367.399 2.747 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ncc(F)cc1F ZINC001095622942 1016876263 /nfs/dbraw/zinc/87/62/63/1016876263.db2.gz NKVYSWFQGPFEGN-NEWSRXKRSA-N 1 2 367.399 2.747 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@H]1O ZINC001198082175 1004474472 /nfs/dbraw/zinc/47/44/72/1004474472.db2.gz YSWWTYZJPGMZKF-QZTJIDSGSA-N 1 2 363.502 2.502 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)C[C@H]1O ZINC001198082175 1004474476 /nfs/dbraw/zinc/47/44/76/1004474476.db2.gz YSWWTYZJPGMZKF-QZTJIDSGSA-N 1 2 363.502 2.502 20 30 FFEDLO C#CC[N@@H+](CN1C(=O)C(C)(C)[C@@H]1c1cnn(C)c1)[C@H]1CCc2ccccc21 ZINC000808140903 1004757732 /nfs/dbraw/zinc/75/77/32/1004757732.db2.gz QVDNAIQPAGFAAH-PMACEKPBSA-N 1 2 362.477 2.910 20 30 FFEDLO C#CC[N@H+](CN1C(=O)C(C)(C)[C@@H]1c1cnn(C)c1)[C@H]1CCc2ccccc21 ZINC000808140903 1004757736 /nfs/dbraw/zinc/75/77/36/1004757736.db2.gz QVDNAIQPAGFAAH-PMACEKPBSA-N 1 2 362.477 2.910 20 30 FFEDLO C=CC[NH+]1CCN(C(=S)Nc2c(F)c(F)c(F)c(F)c2F)CC1 ZINC001198895653 1004762828 /nfs/dbraw/zinc/76/28/28/1004762828.db2.gz APNTZBIGZHBRML-UHFFFAOYSA-N 1 2 351.344 2.883 20 30 FFEDLO CC1(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2O)CCCCC1 ZINC001194619393 1004784459 /nfs/dbraw/zinc/78/44/59/1004784459.db2.gz PZSGTAACEMQCLR-RTBURBONSA-N 1 2 355.482 2.580 20 30 FFEDLO CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2O)CCCCC1 ZINC001194619393 1004784465 /nfs/dbraw/zinc/78/44/65/1004784465.db2.gz PZSGTAACEMQCLR-RTBURBONSA-N 1 2 355.482 2.580 20 30 FFEDLO CC1(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)CCCCC1 ZINC001194619679 1004784581 /nfs/dbraw/zinc/78/45/81/1004784581.db2.gz VDQUGGZZIIFZIK-IAGOWNOFSA-N 1 2 361.511 2.642 20 30 FFEDLO CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)CCCCC1 ZINC001194619679 1004784587 /nfs/dbraw/zinc/78/45/87/1004784587.db2.gz VDQUGGZZIIFZIK-IAGOWNOFSA-N 1 2 361.511 2.642 20 30 FFEDLO C=CCCc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC001194716325 1004802147 /nfs/dbraw/zinc/80/21/47/1004802147.db2.gz AAQMHJLAFXOXPQ-ROUUACIJSA-N 1 2 366.552 2.663 20 30 FFEDLO C=CCCc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC001194716325 1004802150 /nfs/dbraw/zinc/80/21/50/1004802150.db2.gz AAQMHJLAFXOXPQ-ROUUACIJSA-N 1 2 366.552 2.663 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCCC1 ZINC001110463130 1004841568 /nfs/dbraw/zinc/84/15/68/1004841568.db2.gz SKKJGRMPVDVHAK-AQNXPRMDSA-N 1 2 373.541 2.741 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCCC1 ZINC001110463130 1004841571 /nfs/dbraw/zinc/84/15/71/1004841571.db2.gz SKKJGRMPVDVHAK-AQNXPRMDSA-N 1 2 373.541 2.741 20 30 FFEDLO O=C(CCCC1CCCC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001199201712 1004866501 /nfs/dbraw/zinc/86/65/01/1004866501.db2.gz RFQUMBNJCVIONF-NHCUHLMSSA-N 1 2 354.494 2.560 20 30 FFEDLO O=C(CCCC1CCCC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001199201712 1004866508 /nfs/dbraw/zinc/86/65/08/1004866508.db2.gz RFQUMBNJCVIONF-NHCUHLMSSA-N 1 2 354.494 2.560 20 30 FFEDLO C#C[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001195568996 1004998983 /nfs/dbraw/zinc/99/89/83/1004998983.db2.gz UITWUPOLOCQXIR-XLIONFOSSA-N 1 2 373.928 2.938 20 30 FFEDLO C#C[C@@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001195568996 1004998986 /nfs/dbraw/zinc/99/89/86/1004998986.db2.gz UITWUPOLOCQXIR-XLIONFOSSA-N 1 2 373.928 2.938 20 30 FFEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)C1 ZINC001195568996 1004998990 /nfs/dbraw/zinc/99/89/90/1004998990.db2.gz UITWUPOLOCQXIR-XLIONFOSSA-N 1 2 373.928 2.938 20 30 FFEDLO CCCC[C@@H](CNc1ccc(C#N)nc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001114313340 1004999803 /nfs/dbraw/zinc/99/98/03/1004999803.db2.gz ARNIPCWBDQDWGK-RCCFBDPRSA-N 1 2 366.469 2.577 20 30 FFEDLO CO[C@@H](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110473505 1005012200 /nfs/dbraw/zinc/01/22/00/1005012200.db2.gz VOKWCJZLMYVICD-QVSURHGTSA-N 1 2 359.445 2.734 20 30 FFEDLO CO[C@@H](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110473505 1005012203 /nfs/dbraw/zinc/01/22/03/1005012203.db2.gz VOKWCJZLMYVICD-QVSURHGTSA-N 1 2 359.445 2.734 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@H](CC)c2ccc(F)cc2F)C[C@H]1O ZINC001195726068 1005022954 /nfs/dbraw/zinc/02/29/54/1005022954.db2.gz ROKBDFXGCYLTDP-KZNAEPCWSA-N 1 2 352.425 2.934 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)c2ccc(F)cc2F)C[C@H]1O ZINC001195726068 1005022956 /nfs/dbraw/zinc/02/29/56/1005022956.db2.gz ROKBDFXGCYLTDP-KZNAEPCWSA-N 1 2 352.425 2.934 20 30 FFEDLO CCN(C(=S)Nc1ccc(C#N)cc1Br)C1C[NH+](C)C1 ZINC001201124656 1005176277 /nfs/dbraw/zinc/17/62/77/1005176277.db2.gz PVFXZAARVJYJOF-UHFFFAOYSA-N 1 2 353.289 2.653 20 30 FFEDLO CC#CCCNC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000776204963 1005253421 /nfs/dbraw/zinc/25/34/21/1005253421.db2.gz HNROTMQFVSQQJK-UHFFFAOYSA-N 1 2 369.387 2.826 20 30 FFEDLO CCCCCCC[N@@H+]1CC(=O)NC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001201761997 1005262840 /nfs/dbraw/zinc/26/28/40/1005262840.db2.gz YWEVFOPEZRKMSD-LJQANCHMSA-N 1 2 353.507 2.768 20 30 FFEDLO CCCCCCC[N@H+]1CC(=O)NC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001201761997 1005262846 /nfs/dbraw/zinc/26/28/46/1005262846.db2.gz YWEVFOPEZRKMSD-LJQANCHMSA-N 1 2 353.507 2.768 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001489253925 1005439508 /nfs/dbraw/zinc/43/95/08/1005439508.db2.gz NHENYAFMJLIRPI-YZVOILCLSA-N 1 2 366.465 2.838 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(F)cc2)[C@@H]1C ZINC001489262064 1005442648 /nfs/dbraw/zinc/44/26/48/1005442648.db2.gz YRXYMTNUZPBFNA-QAPCUYQASA-N 1 2 359.445 2.537 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(F)cc2)[C@@H]1C ZINC001489262064 1005442651 /nfs/dbraw/zinc/44/26/51/1005442651.db2.gz YRXYMTNUZPBFNA-QAPCUYQASA-N 1 2 359.445 2.537 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001489880838 1005557095 /nfs/dbraw/zinc/55/70/95/1005557095.db2.gz JDYDLMDCNFYNHY-HRCADAONSA-N 1 2 360.502 2.592 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001489880838 1005557097 /nfs/dbraw/zinc/55/70/97/1005557097.db2.gz JDYDLMDCNFYNHY-HRCADAONSA-N 1 2 360.502 2.592 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC001490111318 1005648790 /nfs/dbraw/zinc/64/87/90/1005648790.db2.gz XYQKPWKWFMQVJT-OAGGEKHMSA-N 1 2 354.454 2.656 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1F ZINC001110610660 1005671201 /nfs/dbraw/zinc/67/12/01/1005671201.db2.gz MESQPDPTMRYFSR-QRQLOZEOSA-N 1 2 373.472 2.520 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1F ZINC001110610660 1005671203 /nfs/dbraw/zinc/67/12/03/1005671203.db2.gz MESQPDPTMRYFSR-QRQLOZEOSA-N 1 2 373.472 2.520 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)[C@@H]2C)nc1 ZINC001050465200 1017020972 /nfs/dbraw/zinc/02/09/72/1017020972.db2.gz CYHOIZJIGWKNRM-WBVHZDCISA-N 1 2 363.465 2.682 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nc(C(C)C)no3)C[C@H]21 ZINC001187605332 1006164667 /nfs/dbraw/zinc/16/46/67/1006164667.db2.gz FENASYVQOLEKRH-YESZJQIVSA-N 1 2 358.486 2.980 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3nc(C(C)C)no3)C[C@H]21 ZINC001187605332 1006164673 /nfs/dbraw/zinc/16/46/73/1006164673.db2.gz FENASYVQOLEKRH-YESZJQIVSA-N 1 2 358.486 2.980 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nc(C(C)(C)C)no3)C[C@H]21 ZINC001187714432 1006209704 /nfs/dbraw/zinc/20/97/04/1006209704.db2.gz RJHBBFHTMVPKEL-OWCLPIDISA-N 1 2 358.486 2.764 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nc(C(C)(C)C)no3)C[C@H]21 ZINC001187714432 1006209708 /nfs/dbraw/zinc/20/97/08/1006209708.db2.gz RJHBBFHTMVPKEL-OWCLPIDISA-N 1 2 358.486 2.764 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3cccc(C)c3C)C[C@H]21 ZINC001187714991 1006211414 /nfs/dbraw/zinc/21/14/14/1006211414.db2.gz XVDJTXHDJTYHAS-AZUAARDMSA-N 1 2 367.493 2.578 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3cccc(C)c3C)C[C@H]21 ZINC001187714991 1006211428 /nfs/dbraw/zinc/21/14/28/1006211428.db2.gz XVDJTXHDJTYHAS-AZUAARDMSA-N 1 2 367.493 2.578 20 30 FFEDLO COCC1(CC(=O)N2CC[C@H]3C[N@H+](Cc4cc(F)ccc4C#N)C[C@H]32)CC1 ZINC001187849839 1006274997 /nfs/dbraw/zinc/27/49/97/1006274997.db2.gz XZBLVEQIIWASDY-QFBILLFUSA-N 1 2 371.456 2.547 20 30 FFEDLO COCC1(CC(=O)N2CC[C@H]3C[N@@H+](Cc4cc(F)ccc4C#N)C[C@H]32)CC1 ZINC001187849839 1006275005 /nfs/dbraw/zinc/27/50/05/1006275005.db2.gz XZBLVEQIIWASDY-QFBILLFUSA-N 1 2 371.456 2.547 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(OCC(=O)NC)c1 ZINC000853204535 1006331614 /nfs/dbraw/zinc/33/16/14/1006331614.db2.gz ZHQICXQVFGQSLU-UHFFFAOYSA-N 1 2 353.422 2.611 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000111232837 1006361323 /nfs/dbraw/zinc/36/13/23/1006361323.db2.gz QKJKQAXVCIJKLK-INIZCTEOSA-N 1 2 355.438 2.996 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000111232837 1006361336 /nfs/dbraw/zinc/36/13/36/1006361336.db2.gz QKJKQAXVCIJKLK-INIZCTEOSA-N 1 2 355.438 2.996 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000747967618 1006388302 /nfs/dbraw/zinc/38/83/02/1006388302.db2.gz HRONNMNTEHODJB-APWZRJJASA-N 1 2 356.514 2.822 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000747967618 1006388314 /nfs/dbraw/zinc/38/83/14/1006388314.db2.gz HRONNMNTEHODJB-APWZRJJASA-N 1 2 356.514 2.822 20 30 FFEDLO CCc1ccc([C@@]2(CC)NC(=O)N(C[N@@H+]3CCC[C@@H](CC#N)C3)C2=O)cc1 ZINC000853525660 1006428988 /nfs/dbraw/zinc/42/89/88/1006428988.db2.gz YPFPMNSETUPHOA-LAUBAEHRSA-N 1 2 368.481 2.989 20 30 FFEDLO CCc1ccc([C@@]2(CC)NC(=O)N(C[N@H+]3CCC[C@@H](CC#N)C3)C2=O)cc1 ZINC000853525660 1006428996 /nfs/dbraw/zinc/42/89/96/1006428996.db2.gz YPFPMNSETUPHOA-LAUBAEHRSA-N 1 2 368.481 2.989 20 30 FFEDLO N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCC(Nc3cccc[nH+]3)CC1)C2 ZINC000923940213 1017069830 /nfs/dbraw/zinc/06/98/30/1017069830.db2.gz DCTWMOOKYCMSIL-LJQANCHMSA-N 1 2 361.449 2.707 20 30 FFEDLO COc1cc(C#N)ccc1C[NH+]1CC(C)(c2nnc(C3CCOCC3)o2)C1 ZINC000854076557 1006662385 /nfs/dbraw/zinc/66/23/85/1006662385.db2.gz VZDJQAPBQVFYCT-UHFFFAOYSA-N 1 2 368.437 2.617 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(-c2ccccc2)on1 ZINC001110403318 1006769999 /nfs/dbraw/zinc/76/99/99/1006769999.db2.gz NSXCGSGKDPGYOW-PILAGYSTSA-N 1 2 350.422 2.723 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(-c2ccccc2)on1 ZINC001110403318 1006770011 /nfs/dbraw/zinc/77/00/11/1006770011.db2.gz NSXCGSGKDPGYOW-PILAGYSTSA-N 1 2 350.422 2.723 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3OC)C[C@H]21 ZINC001188999571 1006840339 /nfs/dbraw/zinc/84/03/39/1006840339.db2.gz SLGAIHANPQXTQU-FUHWJXTLSA-N 1 2 371.481 2.523 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccccc3OC)C[C@H]21 ZINC001188999571 1006840350 /nfs/dbraw/zinc/84/03/50/1006840350.db2.gz SLGAIHANPQXTQU-FUHWJXTLSA-N 1 2 371.481 2.523 20 30 FFEDLO N#CC1(CCCOC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000800173541 1007190666 /nfs/dbraw/zinc/19/06/66/1007190666.db2.gz RYJYVTKKALNGJD-IBGZPJMESA-N 1 2 372.465 2.531 20 30 FFEDLO N#CC1(CCCOC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000800173541 1007190674 /nfs/dbraw/zinc/19/06/74/1007190674.db2.gz RYJYVTKKALNGJD-IBGZPJMESA-N 1 2 372.465 2.531 20 30 FFEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3noc(C(C)C)n3)C2)cc1 ZINC001086773921 1007342933 /nfs/dbraw/zinc/34/29/33/1007342933.db2.gz MFIGVWVOWMGXJN-FUHWJXTLSA-N 1 2 366.465 2.863 20 30 FFEDLO Cc1csc(C[C@@H]2CCC[N@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)n1 ZINC000884473519 1007456703 /nfs/dbraw/zinc/45/67/03/1007456703.db2.gz YCWOACUBDAOLPH-HNNXBMFYSA-N 1 2 368.506 2.886 20 30 FFEDLO Cc1csc(C[C@@H]2CCC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)n1 ZINC000884473519 1007456706 /nfs/dbraw/zinc/45/67/06/1007456706.db2.gz YCWOACUBDAOLPH-HNNXBMFYSA-N 1 2 368.506 2.886 20 30 FFEDLO CSc1ccc(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)cc1C#N ZINC000884643266 1007500116 /nfs/dbraw/zinc/50/01/16/1007500116.db2.gz BQIWUXKWUJOONG-HNNXBMFYSA-N 1 2 369.494 2.891 20 30 FFEDLO CSc1ccc(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)cc1C#N ZINC000884643266 1007500125 /nfs/dbraw/zinc/50/01/25/1007500125.db2.gz BQIWUXKWUJOONG-HNNXBMFYSA-N 1 2 369.494 2.891 20 30 FFEDLO COCC#CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001135979397 1007707432 /nfs/dbraw/zinc/70/74/32/1007707432.db2.gz FMVYKNOQQUUXDS-UHFFFAOYSA-N 1 2 372.465 2.848 20 30 FFEDLO CCO[C@@H](CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206379114 1032260946 /nfs/dbraw/zinc/26/09/46/1032260946.db2.gz SAYSYWLZEAGCQV-LZQZEXGQSA-N 1 2 362.901 2.943 20 30 FFEDLO CCO[C@@H](CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206379114 1032260949 /nfs/dbraw/zinc/26/09/49/1032260949.db2.gz SAYSYWLZEAGCQV-LZQZEXGQSA-N 1 2 362.901 2.943 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858048875 1008289797 /nfs/dbraw/zinc/28/97/97/1008289797.db2.gz FHCMRVQWDCQEHM-LJQANCHMSA-N 1 2 362.433 2.922 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858048875 1008289801 /nfs/dbraw/zinc/28/98/01/1008289801.db2.gz FHCMRVQWDCQEHM-LJQANCHMSA-N 1 2 362.433 2.922 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCCNC(=O)c1c(F)cccc1F ZINC000820658450 1008357760 /nfs/dbraw/zinc/35/77/60/1008357760.db2.gz NRAXKWHUBMAHEW-UHFFFAOYSA-N 1 2 359.376 2.994 20 30 FFEDLO CC1(C)C[N@H+](C[C@@H](O)COc2ccccc2C#N)C[C@@](C)(C(F)(F)F)O1 ZINC000859315236 1008501275 /nfs/dbraw/zinc/50/12/75/1008501275.db2.gz IXGJEKMWIUKCCQ-PBHICJAKSA-N 1 2 372.387 2.730 20 30 FFEDLO CC1(C)C[N@@H+](C[C@@H](O)COc2ccccc2C#N)C[C@@](C)(C(F)(F)F)O1 ZINC000859315236 1008501278 /nfs/dbraw/zinc/50/12/78/1008501278.db2.gz IXGJEKMWIUKCCQ-PBHICJAKSA-N 1 2 372.387 2.730 20 30 FFEDLO COC(=O)c1ccc(C(=[NH2+])Nc2ccc(NC(=O)C(C)(C)C)nc2)cc1 ZINC001170985262 1008581360 /nfs/dbraw/zinc/58/13/60/1008581360.db2.gz PGNDZOSWMMCAAU-UHFFFAOYSA-N 1 2 354.410 2.890 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2c(C)cc(C)cc2C)C[C@H]1C ZINC001206537001 1032333131 /nfs/dbraw/zinc/33/31/31/1032333131.db2.gz HAMXCENMJQGTMQ-QZTJIDSGSA-N 1 2 357.498 2.953 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2c(C)cc(C)cc2C)C[C@H]1C ZINC001206537001 1032333147 /nfs/dbraw/zinc/33/31/47/1032333147.db2.gz HAMXCENMJQGTMQ-QZTJIDSGSA-N 1 2 357.498 2.953 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c(C#N)c1C ZINC000860099038 1008834597 /nfs/dbraw/zinc/83/45/97/1008834597.db2.gz XHTBTCYXYQRCTF-NSHDSACASA-N 1 2 364.446 2.552 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c(C#N)c1C ZINC000860099038 1008834616 /nfs/dbraw/zinc/83/46/16/1008834616.db2.gz XHTBTCYXYQRCTF-NSHDSACASA-N 1 2 364.446 2.552 20 30 FFEDLO CC(C)OC(=O)C1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000886727163 1008845104 /nfs/dbraw/zinc/84/51/04/1008845104.db2.gz JIVNFJDQFLLMSA-KRWDZBQOSA-N 1 2 371.481 2.985 20 30 FFEDLO Cc1cc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095375695 1009072758 /nfs/dbraw/zinc/07/27/58/1009072758.db2.gz WTHMWESKUCWPOF-NJAFHUGGSA-N 1 2 352.413 2.869 20 30 FFEDLO Cc1cc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095375695 1009072773 /nfs/dbraw/zinc/07/27/73/1009072773.db2.gz WTHMWESKUCWPOF-NJAFHUGGSA-N 1 2 352.413 2.869 20 30 FFEDLO NC(=NOCc1ccc(F)c(F)c1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000117868610 1009209740 /nfs/dbraw/zinc/20/97/40/1009209740.db2.gz JQLHPKMLZCXGHN-UHFFFAOYSA-N 1 2 361.392 2.634 20 30 FFEDLO COC(=O)c1ccc(-c2ccc(C[NH+]3CCOCC3)cc2F)cc1C#N ZINC001206704507 1032395254 /nfs/dbraw/zinc/39/52/54/1032395254.db2.gz WXRAYRMCQIINNT-UHFFFAOYSA-N 1 2 354.381 2.983 20 30 FFEDLO COc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1C#N ZINC000135155056 1009521158 /nfs/dbraw/zinc/52/11/58/1009521158.db2.gz XGNRDZFTZCJVPI-UXHICEINSA-N 1 2 352.434 2.891 20 30 FFEDLO COc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1C#N ZINC000135155056 1009521167 /nfs/dbraw/zinc/52/11/67/1009521167.db2.gz XGNRDZFTZCJVPI-UXHICEINSA-N 1 2 352.434 2.891 20 30 FFEDLO CC(C)C[C@H](C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)n1cc[nH+]c1 ZINC000887739263 1009550943 /nfs/dbraw/zinc/55/09/43/1009550943.db2.gz PZMVHQLVYPBGKF-RTBURBONSA-N 1 2 352.438 2.942 20 30 FFEDLO COc1nc2ccccc2cc1C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000862421935 1009834870 /nfs/dbraw/zinc/83/48/70/1009834870.db2.gz LUDNAUZXAUYIKO-UHFFFAOYSA-N 1 2 359.433 2.832 20 30 FFEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@]3(C)c3ccccc3)CC2)C1 ZINC001093552695 1010343725 /nfs/dbraw/zinc/34/37/25/1010343725.db2.gz CDPAVJLSFBPSMK-RBBKRZOGSA-N 1 2 354.494 2.842 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(OC2C[NH+](CC=C(C)C)C2)CC1 ZINC001093584545 1010349352 /nfs/dbraw/zinc/34/93/52/1010349352.db2.gz UEMDZMMHMRZORT-PMACEKPBSA-N 1 2 362.514 2.626 20 30 FFEDLO CC[NH+](CC)[C@H](C(=O)N1CCN(CCC#N)CC1)c1ccccc1Cl ZINC001182228603 1010438640 /nfs/dbraw/zinc/43/86/40/1010438640.db2.gz YQOTUGOFTXRIFU-SFHVURJKSA-N 1 2 362.905 2.781 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001206885195 1032480301 /nfs/dbraw/zinc/48/03/01/1032480301.db2.gz ZDBZPVBLGOZJQB-IEBWSBKVSA-N 1 2 355.482 2.564 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001206885195 1032480308 /nfs/dbraw/zinc/48/03/08/1032480308.db2.gz ZDBZPVBLGOZJQB-IEBWSBKVSA-N 1 2 355.482 2.564 20 30 FFEDLO C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cccc(C#N)c1O ZINC000866370060 1010984557 /nfs/dbraw/zinc/98/45/57/1010984557.db2.gz RFICRDPPGRWAJH-DZGCQCFKSA-N 1 2 361.442 2.550 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2cccc3c2CCOC3)C1 ZINC000866479532 1011001578 /nfs/dbraw/zinc/00/15/78/1011001578.db2.gz VWBZJWMONVPWSS-AEFFLSMTSA-N 1 2 357.454 2.608 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCC(C)(C)C2)cc1C#N ZINC001275062949 1011869462 /nfs/dbraw/zinc/86/94/62/1011869462.db2.gz GBNNLSMCRBJHJI-OKZBNKHCSA-N 1 2 354.498 2.898 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCC(C)(C)C2)cc1C#N ZINC001275062949 1011869480 /nfs/dbraw/zinc/86/94/80/1011869480.db2.gz GBNNLSMCRBJHJI-OKZBNKHCSA-N 1 2 354.498 2.898 20 30 FFEDLO CCCC[C@@H]1C[C@H](N2CC[NH2+]C[C@@H]2C#N)CCN1C(=O)OC(C)(C)C ZINC001172641864 1011913287 /nfs/dbraw/zinc/91/32/87/1011913287.db2.gz LQMQNHQNXRLFFK-ZACQAIPSSA-N 1 2 350.507 2.742 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172713585 1011991119 /nfs/dbraw/zinc/99/11/19/1011991119.db2.gz IKFKNVHHAQTYAJ-WMZOPIPTSA-N 1 2 358.873 2.738 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172713585 1011991128 /nfs/dbraw/zinc/99/11/28/1011991128.db2.gz IKFKNVHHAQTYAJ-WMZOPIPTSA-N 1 2 358.873 2.738 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3c(Cl)cccc3Cl)C2)OCC1=O ZINC001275206620 1012082923 /nfs/dbraw/zinc/08/29/23/1012082923.db2.gz BZGCMMNYNLAJGP-KRWDZBQOSA-N 1 2 355.265 2.983 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3c(Cl)cccc3Cl)C2)OCC1=O ZINC001275206620 1012082939 /nfs/dbraw/zinc/08/29/39/1012082939.db2.gz BZGCMMNYNLAJGP-KRWDZBQOSA-N 1 2 355.265 2.983 20 30 FFEDLO C=CCOC(=O)N1CC[NH+]([C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173074264 1012244018 /nfs/dbraw/zinc/24/40/18/1012244018.db2.gz GPZLZHAYSFFDIA-JKSUJKDBSA-N 1 2 367.490 2.715 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](CCCCCCC(=O)OCC)C[C@@]2(F)C1=O ZINC001275304946 1012254038 /nfs/dbraw/zinc/25/40/38/1012254038.db2.gz QMOLTVCVJFKCMT-RBUKOAKNSA-N 1 2 372.456 2.651 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](CCCCCCC(=O)OCC)C[C@@]2(F)C1=O ZINC001275304946 1012254052 /nfs/dbraw/zinc/25/40/52/1012254052.db2.gz QMOLTVCVJFKCMT-RBUKOAKNSA-N 1 2 372.456 2.651 20 30 FFEDLO C=C(CCC(=O)N1CC2(CC[N@@H+]2CCn2ccnc2)C1)c1ccccc1 ZINC001275351363 1012347479 /nfs/dbraw/zinc/34/74/79/1012347479.db2.gz QMPRJUKDPUSGGF-UHFFFAOYSA-N 1 2 350.466 2.663 20 30 FFEDLO C=C(CCC(=O)N1CC2(CC[N@H+]2CCn2ccnc2)C1)c1ccccc1 ZINC001275351363 1012347497 /nfs/dbraw/zinc/34/74/97/1012347497.db2.gz QMPRJUKDPUSGGF-UHFFFAOYSA-N 1 2 350.466 2.663 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095165768 1012583570 /nfs/dbraw/zinc/58/35/70/1012583570.db2.gz SUSVWJXXEDZGBU-SQNIBIBYSA-N 1 2 350.422 2.698 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095165768 1012583584 /nfs/dbraw/zinc/58/35/84/1012583584.db2.gz SUSVWJXXEDZGBU-SQNIBIBYSA-N 1 2 350.422 2.698 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)c1cocn1 ZINC001095236537 1012809788 /nfs/dbraw/zinc/80/97/88/1012809788.db2.gz KSAZNYCSAMLERV-RYRKJORJSA-N 1 2 355.825 2.715 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)c1cocn1 ZINC001095236537 1012809805 /nfs/dbraw/zinc/80/98/05/1012809805.db2.gz KSAZNYCSAMLERV-RYRKJORJSA-N 1 2 355.825 2.715 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(F)c(Cl)c1)C2 ZINC001275671919 1012817196 /nfs/dbraw/zinc/81/71/96/1012817196.db2.gz KLWGUOGITBMGPA-GOSISDBHSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(F)c(Cl)c1)C2 ZINC001275671919 1012817214 /nfs/dbraw/zinc/81/72/14/1012817214.db2.gz KLWGUOGITBMGPA-GOSISDBHSA-N 1 2 352.837 2.716 20 30 FFEDLO CCC[C@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110887777 1017203138 /nfs/dbraw/zinc/20/31/38/1017203138.db2.gz WLFPKBHSUVDPMN-YSHGAJCASA-N 1 2 359.445 2.734 20 30 FFEDLO CCC[C@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110887777 1017203150 /nfs/dbraw/zinc/20/31/50/1017203150.db2.gz WLFPKBHSUVDPMN-YSHGAJCASA-N 1 2 359.445 2.734 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001097219737 1017209305 /nfs/dbraw/zinc/20/93/05/1017209305.db2.gz CNOUOHARTJXPCL-OAGGEKHMSA-N 1 2 356.495 2.974 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001097219737 1017209315 /nfs/dbraw/zinc/20/93/15/1017209315.db2.gz CNOUOHARTJXPCL-OAGGEKHMSA-N 1 2 356.495 2.974 20 30 FFEDLO CC(C)c1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097412128 1017448281 /nfs/dbraw/zinc/44/82/81/1017448281.db2.gz MVFHDICLWSNBLU-QRQLOZEOSA-N 1 2 363.465 2.940 20 30 FFEDLO CC(C)c1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097412128 1017448290 /nfs/dbraw/zinc/44/82/90/1017448290.db2.gz MVFHDICLWSNBLU-QRQLOZEOSA-N 1 2 363.465 2.940 20 30 FFEDLO C=CCOCCNC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000679874633 1017667172 /nfs/dbraw/zinc/66/71/72/1017667172.db2.gz XTPVDGXLDVUCBS-DOTOQJQBSA-N 1 2 371.403 2.741 20 30 FFEDLO C=CCOCCNC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000679874633 1017667178 /nfs/dbraw/zinc/66/71/78/1017667178.db2.gz XTPVDGXLDVUCBS-DOTOQJQBSA-N 1 2 371.403 2.741 20 30 FFEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000925590018 1017796199 /nfs/dbraw/zinc/79/61/99/1017796199.db2.gz MWKDTXMCRSRPCM-AQNXPRMDSA-N 1 2 370.497 2.579 20 30 FFEDLO CCc1nc(CN2CCC[C@H]([NH2+][C@H](CC)c3cccc(C#N)c3O)C2)no1 ZINC000925704346 1017820882 /nfs/dbraw/zinc/82/08/82/1017820882.db2.gz GKKNSVYSDIXSGH-DOTOQJQBSA-N 1 2 369.469 2.915 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(C[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC001053469908 1018326868 /nfs/dbraw/zinc/32/68/68/1018326868.db2.gz SKUSJVIHKPVNRR-IHPCNDPISA-N 1 2 370.493 2.642 20 30 FFEDLO Cc1nc(NCC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C)ccc1C#N ZINC001053547794 1018360745 /nfs/dbraw/zinc/36/07/45/1018360745.db2.gz LVICECNZTBNKRG-RHSMWYFYSA-N 1 2 366.469 2.514 20 30 FFEDLO Cc1nc(NCC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C)ccc1C#N ZINC001053547794 1018360753 /nfs/dbraw/zinc/36/07/53/1018360753.db2.gz LVICECNZTBNKRG-RHSMWYFYSA-N 1 2 366.469 2.514 20 30 FFEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)O2 ZINC001053639426 1018394082 /nfs/dbraw/zinc/39/40/82/1018394082.db2.gz PLEGUMFQTJYRRP-HYVNUMGLSA-N 1 2 362.420 2.604 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)CC[NH+]2CCN(C(C)C)CC2)cc1C#N ZINC000901150025 1018771730 /nfs/dbraw/zinc/77/17/30/1018771730.db2.gz LEHYLTXUZFQGNP-UHFFFAOYSA-N 1 2 358.486 2.700 20 30 FFEDLO Cc1nc(N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2ccccc2F)cc[nH+]1 ZINC001041706642 1018851886 /nfs/dbraw/zinc/85/18/86/1018851886.db2.gz VOFBZSILXYSFQY-PKOBYXMFSA-N 1 2 364.424 2.744 20 30 FFEDLO CCC[C@H](C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001217580086 1032791431 /nfs/dbraw/zinc/79/14/31/1032791431.db2.gz UNLJNAUPQDFUHZ-ZOCIIQOWSA-N 1 2 359.445 2.545 20 30 FFEDLO CCC[C@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001217580086 1032791433 /nfs/dbraw/zinc/79/14/33/1032791433.db2.gz UNLJNAUPQDFUHZ-ZOCIIQOWSA-N 1 2 359.445 2.545 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(OC)no4)C[C@H]32)CCCC1 ZINC001222152519 1032792279 /nfs/dbraw/zinc/79/22/79/1032792279.db2.gz VFONZOPUYDHJNC-NVXWUHKLSA-N 1 2 359.470 2.852 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(OC)no4)C[C@H]32)CCCC1 ZINC001222152519 1032792291 /nfs/dbraw/zinc/79/22/91/1032792291.db2.gz VFONZOPUYDHJNC-NVXWUHKLSA-N 1 2 359.470 2.852 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)c(OC)c(OC)c2)C1 ZINC001137512835 1019050765 /nfs/dbraw/zinc/05/07/65/1019050765.db2.gz XIZWFZQKZJSTSC-AWEZNQCLSA-N 1 2 352.406 2.720 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)c(OC)c(OC)c2)C1 ZINC001137512835 1019050777 /nfs/dbraw/zinc/05/07/77/1019050777.db2.gz XIZWFZQKZJSTSC-AWEZNQCLSA-N 1 2 352.406 2.720 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC(C)(C)Cc2ccc(C#N)cc2)[nH]n1 ZINC000928697457 1019075491 /nfs/dbraw/zinc/07/54/91/1019075491.db2.gz NUSOSZDUAZUPTC-GOSISDBHSA-N 1 2 351.454 2.799 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC(C)(C)Cc2ccc(C#N)cc2)[nH]n1 ZINC000928697457 1019075507 /nfs/dbraw/zinc/07/55/07/1019075507.db2.gz NUSOSZDUAZUPTC-GOSISDBHSA-N 1 2 351.454 2.799 20 30 FFEDLO CCn1cncc1/C=C1\CC(C(=O)OC)C/C(=C\c2c[nH+]cn2CC)C1=O ZINC000901498103 1019153876 /nfs/dbraw/zinc/15/38/76/1019153876.db2.gz FMMAUNQIKJFWDZ-VOMDNODZSA-N 1 2 368.437 2.739 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001067894876 1019178291 /nfs/dbraw/zinc/17/82/91/1019178291.db2.gz PUQCTXCGIMBSGG-HVTNRZIGSA-N 1 2 370.497 2.950 20 30 FFEDLO N#Cc1c(F)cccc1NCC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001067898265 1019179231 /nfs/dbraw/zinc/17/92/31/1019179231.db2.gz PLVPXNOZRGARRY-NWINJMCUSA-N 1 2 353.401 2.531 20 30 FFEDLO N#Cc1c(F)cccc1NCC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001067898265 1019179239 /nfs/dbraw/zinc/17/92/39/1019179239.db2.gz PLVPXNOZRGARRY-NWINJMCUSA-N 1 2 353.401 2.531 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCC(Nc2ccc(C#N)nc2)CC1 ZINC001067917570 1019193793 /nfs/dbraw/zinc/19/37/93/1019193793.db2.gz WFUFRPDTTBKKJI-BLYBZDDLSA-N 1 2 364.453 2.662 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCC(Nc2ccc(C#N)nc2)CC1 ZINC001067917570 1019193800 /nfs/dbraw/zinc/19/38/00/1019193800.db2.gz WFUFRPDTTBKKJI-BLYBZDDLSA-N 1 2 364.453 2.662 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nn(C)c1Cl ZINC001110964405 1019325328 /nfs/dbraw/zinc/32/53/28/1019325328.db2.gz JLNNCHSHMUDUAS-BMFZPTHFSA-N 1 2 350.894 2.960 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nn(C)c1Cl ZINC001110964405 1019325346 /nfs/dbraw/zinc/32/53/46/1019325346.db2.gz JLNNCHSHMUDUAS-BMFZPTHFSA-N 1 2 350.894 2.960 20 30 FFEDLO Cc1nsc(N[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2C)c1C#N ZINC001043395287 1019403207 /nfs/dbraw/zinc/40/32/07/1019403207.db2.gz BEUVNCZTMVCJFZ-BXUZGUMPSA-N 1 2 366.450 2.544 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncccc2F)C3)ccc1F ZINC001096238853 1019542307 /nfs/dbraw/zinc/54/23/07/1019542307.db2.gz NZZOKCFIGNCINK-JLSDUUJJSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncccc2F)C3)ccc1F ZINC001096238853 1019542325 /nfs/dbraw/zinc/54/23/25/1019542325.db2.gz NZZOKCFIGNCINK-JLSDUUJJSA-N 1 2 368.387 2.767 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC001043923648 1019604444 /nfs/dbraw/zinc/60/44/44/1019604444.db2.gz RCMYISVYFVYPCB-HOJAQTOUSA-N 1 2 358.457 2.937 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@@H+](C)Cc2nc([C@@H](C)OCC)no2)cc1 ZINC000929724157 1019608366 /nfs/dbraw/zinc/60/83/66/1019608366.db2.gz QICYUNAVURDHDA-CQSZACIVSA-N 1 2 356.426 2.609 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@H+](C)Cc2nc([C@@H](C)OCC)no2)cc1 ZINC000929724157 1019608376 /nfs/dbraw/zinc/60/83/76/1019608376.db2.gz QICYUNAVURDHDA-CQSZACIVSA-N 1 2 356.426 2.609 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1C[NH+](Cc2ccccc2N(C)C)C1 ZINC001044026316 1019628140 /nfs/dbraw/zinc/62/81/40/1019628140.db2.gz ZCZUOUYNUXZEQK-FPOVZHCZSA-N 1 2 371.525 2.767 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)c1n[nH]cc1F ZINC001095977802 1019676808 /nfs/dbraw/zinc/67/68/08/1019676808.db2.gz XGBWXJQGAZZFRI-PVAVHDDUSA-N 1 2 372.831 2.589 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)c1n[nH]cc1F ZINC001095977802 1019676813 /nfs/dbraw/zinc/67/68/13/1019676813.db2.gz XGBWXJQGAZZFRI-PVAVHDDUSA-N 1 2 372.831 2.589 20 30 FFEDLO Cc1cc(N2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)nc(C(C)C)[nH+]1 ZINC001045018133 1019779757 /nfs/dbraw/zinc/77/97/57/1019779757.db2.gz FACXDYFWOQJSIH-ROUUACIJSA-N 1 2 352.482 2.749 20 30 FFEDLO C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CCCOC1 ZINC001098116634 1019877165 /nfs/dbraw/zinc/87/71/65/1019877165.db2.gz PYVWIYGBOOCUTQ-BNDYYXHWSA-N 1 2 353.466 2.596 20 30 FFEDLO C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CCCOC1 ZINC001098116634 1019877180 /nfs/dbraw/zinc/87/71/80/1019877180.db2.gz PYVWIYGBOOCUTQ-BNDYYXHWSA-N 1 2 353.466 2.596 20 30 FFEDLO C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)CCCOC1 ZINC001098116783 1019880347 /nfs/dbraw/zinc/88/03/47/1019880347.db2.gz UJECLXGFEWTPSG-RBAQFSTRSA-N 1 2 371.456 2.736 20 30 FFEDLO C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)CCCOC1 ZINC001098116783 1019880364 /nfs/dbraw/zinc/88/03/64/1019880364.db2.gz UJECLXGFEWTPSG-RBAQFSTRSA-N 1 2 371.456 2.736 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)[nH]1 ZINC001096028827 1019982461 /nfs/dbraw/zinc/98/24/61/1019982461.db2.gz VZKLHDHTHCVUQJ-QYZOEREBSA-N 1 2 366.440 2.552 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)[nH]1 ZINC001096028827 1019982463 /nfs/dbraw/zinc/98/24/63/1019982463.db2.gz VZKLHDHTHCVUQJ-QYZOEREBSA-N 1 2 366.440 2.552 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]3O[C@H](c4nc(C)no4)CC[C@H]32)c(C#N)c1 ZINC001137700887 1032880144 /nfs/dbraw/zinc/88/01/44/1032880144.db2.gz CUMCHLNXXPBVRR-KURKYZTESA-N 1 2 354.410 2.753 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]3O[C@H](c4nc(C)no4)CC[C@H]32)c(C#N)c1 ZINC001137700887 1032880154 /nfs/dbraw/zinc/88/01/54/1032880154.db2.gz CUMCHLNXXPBVRR-KURKYZTESA-N 1 2 354.410 2.753 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)cc1 ZINC000930922111 1020239006 /nfs/dbraw/zinc/23/90/06/1020239006.db2.gz CBBSINAZOVMDOU-QFIPXVFZSA-N 1 2 358.445 2.949 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)cc1 ZINC000930922111 1020239016 /nfs/dbraw/zinc/23/90/16/1020239016.db2.gz CBBSINAZOVMDOU-QFIPXVFZSA-N 1 2 358.445 2.949 20 30 FFEDLO CC(C)c1cccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C#CC(C)(C)C)[C@H]3C2)n1 ZINC001217839697 1032886570 /nfs/dbraw/zinc/88/65/70/1032886570.db2.gz PPLOZABTAHSLSW-VQTJNVASSA-N 1 2 369.509 2.666 20 30 FFEDLO CC(C)c1cccc(C[N@H+]2C[C@H]3OCCN(C(=O)C#CC(C)(C)C)[C@H]3C2)n1 ZINC001217839697 1032886585 /nfs/dbraw/zinc/88/65/85/1032886585.db2.gz PPLOZABTAHSLSW-VQTJNVASSA-N 1 2 369.509 2.666 20 30 FFEDLO Cc1csc(C[C@H]2CC[N@H+](Cn3cc4c(c(C#N)c3=O)CCCC4)C2)n1 ZINC000902539230 1020267392 /nfs/dbraw/zinc/26/73/92/1020267392.db2.gz JYEAOYXBGPEYEM-OAHLLOKOSA-N 1 2 368.506 2.886 20 30 FFEDLO Cc1csc(C[C@H]2CC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCCC4)C2)n1 ZINC000902539230 1020267400 /nfs/dbraw/zinc/26/74/00/1020267400.db2.gz JYEAOYXBGPEYEM-OAHLLOKOSA-N 1 2 368.506 2.886 20 30 FFEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3CCOC[C@H]3C[C@@H]3CCOC3)n2)cc1 ZINC000902604688 1020333445 /nfs/dbraw/zinc/33/34/45/1020333445.db2.gz IYXMVRXWQRFFSH-PKOBYXMFSA-N 1 2 352.438 2.507 20 30 FFEDLO N#Cc1ccc(-c2ccn(C[N@H+]3CCOC[C@H]3C[C@@H]3CCOC3)n2)cc1 ZINC000902604688 1020333458 /nfs/dbraw/zinc/33/34/58/1020333458.db2.gz IYXMVRXWQRFFSH-PKOBYXMFSA-N 1 2 352.438 2.507 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1coc(C3CC3)n1)C2 ZINC001073052468 1020354298 /nfs/dbraw/zinc/35/42/98/1020354298.db2.gz VHINOINGBVVZQM-ROUUACIJSA-N 1 2 371.481 2.568 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC001073052468 1020354310 /nfs/dbraw/zinc/35/43/10/1020354310.db2.gz VHINOINGBVVZQM-ROUUACIJSA-N 1 2 371.481 2.568 20 30 FFEDLO C/C(=C/C(=O)N(Cc1ccc(C#N)cc1)CC(C)C)C[NH+]1CCOCC1 ZINC000900422793 1020413263 /nfs/dbraw/zinc/41/32/63/1020413263.db2.gz WFZDOCPTLOVTEY-PDGQHHTCSA-N 1 2 355.482 2.821 20 30 FFEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)nn1 ZINC000900601311 1020538297 /nfs/dbraw/zinc/53/82/97/1020538297.db2.gz QQNXMASRRAKZTJ-WMLDXEAASA-N 1 2 364.371 2.573 20 30 FFEDLO Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccncc2C#N)c(C)[nH+]1 ZINC001046212128 1020544074 /nfs/dbraw/zinc/54/40/74/1020544074.db2.gz SABVVYKRXLEYST-RTBURBONSA-N 1 2 363.465 2.849 20 30 FFEDLO CC#CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3C[C@H]3CCC)cc2)CC1 ZINC001074112342 1020635861 /nfs/dbraw/zinc/63/58/61/1020635861.db2.gz SMWRYDIJWMZXTR-FGZHOGPDSA-N 1 2 367.537 2.880 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccn(CC(C)C)c1=O)C2 ZINC001096110226 1020695661 /nfs/dbraw/zinc/69/56/61/1020695661.db2.gz DLCIAUVBMRSFLT-PVAVHDDUSA-N 1 2 363.889 2.592 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccn(CC(C)C)c1=O)C2 ZINC001096110226 1020695666 /nfs/dbraw/zinc/69/56/66/1020695666.db2.gz DLCIAUVBMRSFLT-PVAVHDDUSA-N 1 2 363.889 2.592 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccnc(Cl)c2)cn1 ZINC001098245381 1020758637 /nfs/dbraw/zinc/75/86/37/1020758637.db2.gz IMOWGOVMZFLDDC-KURKYZTESA-N 1 2 366.852 2.647 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccnc(Cl)c2)cn1 ZINC001098245381 1020758643 /nfs/dbraw/zinc/75/86/43/1020758643.db2.gz IMOWGOVMZFLDDC-KURKYZTESA-N 1 2 366.852 2.647 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cn2ccccc2n1 ZINC001096481887 1020760582 /nfs/dbraw/zinc/76/05/82/1020760582.db2.gz OOECRJCNAQYOBY-DYXWJJEUSA-N 1 2 370.456 2.721 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cn2ccccc2n1 ZINC001096481887 1020760589 /nfs/dbraw/zinc/76/05/89/1020760589.db2.gz OOECRJCNAQYOBY-DYXWJJEUSA-N 1 2 370.456 2.721 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001217966759 1032925562 /nfs/dbraw/zinc/92/55/62/1032925562.db2.gz XYNFWACZCULUIT-RBUKOAKNSA-N 1 2 371.506 2.800 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001217966759 1032925576 /nfs/dbraw/zinc/92/55/76/1032925576.db2.gz XYNFWACZCULUIT-RBUKOAKNSA-N 1 2 371.506 2.800 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCO[C@@H](C)CC2)c1C#N ZINC000932342586 1020777016 /nfs/dbraw/zinc/77/70/16/1020777016.db2.gz IXRJVQXGVPANPG-AWEZNQCLSA-N 1 2 370.453 2.667 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCO[C@@H](C)CC2)c1C#N ZINC000932342586 1020777020 /nfs/dbraw/zinc/77/70/20/1020777020.db2.gz IXRJVQXGVPANPG-AWEZNQCLSA-N 1 2 370.453 2.667 20 30 FFEDLO C[C@H]([NH2+][C@H](c1ncccn1)C1CC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000932359422 1020780778 /nfs/dbraw/zinc/78/07/78/1020780778.db2.gz DVKQUJCUAFERFR-KSSFIOAISA-N 1 2 367.428 2.992 20 30 FFEDLO Cc1nc[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001098514916 1020979725 /nfs/dbraw/zinc/97/97/25/1020979725.db2.gz QYBLRUSBWKBBEI-KURKYZTESA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1nc[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001098514916 1020979730 /nfs/dbraw/zinc/97/97/30/1020979730.db2.gz QYBLRUSBWKBBEI-KURKYZTESA-N 1 2 368.868 2.758 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2scnc2C)C1 ZINC001098742890 1021101694 /nfs/dbraw/zinc/10/16/94/1021101694.db2.gz MTRBSZHCCWJRMK-WFASDCNBSA-N 1 2 370.316 2.944 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2scnc2C)C1 ZINC001098742890 1021101700 /nfs/dbraw/zinc/10/17/00/1021101700.db2.gz MTRBSZHCCWJRMK-WFASDCNBSA-N 1 2 370.316 2.944 20 30 FFEDLO N#CCn1c(C[NH+]2CCC(Nc3ccccc3)CC2)nc2ccccc2c1=O ZINC001116348871 1021175262 /nfs/dbraw/zinc/17/52/62/1021175262.db2.gz RVQDDYFTSBCBDO-UHFFFAOYSA-N 1 2 373.460 2.997 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934488131 1021256133 /nfs/dbraw/zinc/25/61/33/1021256133.db2.gz AVCPJBDCJMPLQB-IRXDYDNUSA-N 1 2 367.497 2.597 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934488131 1021256139 /nfs/dbraw/zinc/25/61/39/1021256139.db2.gz AVCPJBDCJMPLQB-IRXDYDNUSA-N 1 2 367.497 2.597 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001099035799 1021641963 /nfs/dbraw/zinc/64/19/63/1021641963.db2.gz LHTMBTKAFNENSM-FZOGKMJWSA-N 1 2 359.297 2.867 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](C/C(Cl)=C/Cl)C2 ZINC001099035799 1021641965 /nfs/dbraw/zinc/64/19/65/1021641965.db2.gz LHTMBTKAFNENSM-FZOGKMJWSA-N 1 2 359.297 2.867 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C3)cn1 ZINC001099126268 1021872797 /nfs/dbraw/zinc/87/27/97/1021872797.db2.gz LLERNODFQMPJPO-OOHATYIOSA-N 1 2 364.276 2.966 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](C/C(Cl)=C\Cl)C3)cn1 ZINC001099126268 1021872809 /nfs/dbraw/zinc/87/28/09/1021872809.db2.gz LLERNODFQMPJPO-OOHATYIOSA-N 1 2 364.276 2.966 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC001015726490 1021943259 /nfs/dbraw/zinc/94/32/59/1021943259.db2.gz NVVZAUFNASCNQR-KURKYZTESA-N 1 2 367.449 2.623 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC001015726490 1021943269 /nfs/dbraw/zinc/94/32/69/1021943269.db2.gz NVVZAUFNASCNQR-KURKYZTESA-N 1 2 367.449 2.623 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H](O[NH+]=C(N)c3ccc(F)cc3)C2=O)cc1 ZINC000778587582 1022136440 /nfs/dbraw/zinc/13/64/40/1022136440.db2.gz DOKLPNOHMBLKCE-KRWDZBQOSA-N 1 2 352.369 2.530 20 30 FFEDLO Cc1nc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C(F)(F)F)c(C)s1 ZINC001099249626 1022162894 /nfs/dbraw/zinc/16/28/94/1022162894.db2.gz DQFQOZVTZMPJEP-UKRRQHHQSA-N 1 2 371.428 2.652 20 30 FFEDLO C#CCOc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000155252981 1022232104 /nfs/dbraw/zinc/23/21/04/1022232104.db2.gz XETODLYUNJHDAZ-UHFFFAOYSA-N 1 2 350.418 2.783 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@H]4[C@@H](C3)C4(F)F)CC2)cc1 ZINC001118608596 1022313229 /nfs/dbraw/zinc/31/32/29/1022313229.db2.gz KFHLWKCDBFXMIJ-FGTMMUONSA-N 1 2 359.420 2.884 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3ccnc3c1)C2 ZINC001095751868 1022731018 /nfs/dbraw/zinc/73/10/18/1022731018.db2.gz KSBPNWBXPFDDGK-AABGKKOBSA-N 1 2 371.444 2.741 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3ccnc3c1)C2 ZINC001095751868 1022731031 /nfs/dbraw/zinc/73/10/31/1022731031.db2.gz KSBPNWBXPFDDGK-AABGKKOBSA-N 1 2 371.444 2.741 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001095759500 1022755386 /nfs/dbraw/zinc/75/53/86/1022755386.db2.gz HAROUQKSBIIKRR-SJORKVTESA-N 1 2 360.502 2.832 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@@H]3CCCC[C@@H]3C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001122396099 1023242137 /nfs/dbraw/zinc/24/21/37/1023242137.db2.gz WXNFAUBAOKYFHP-NYUBLWNDSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@@H]3CCCC[C@@H]3C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001122396099 1023242141 /nfs/dbraw/zinc/24/21/41/1023242141.db2.gz WXNFAUBAOKYFHP-NYUBLWNDSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(-c2nccs2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001122399535 1023243926 /nfs/dbraw/zinc/24/39/26/1023243926.db2.gz CTGSTQBUYIZJTC-UHFFFAOYSA-N 1 2 367.482 2.699 20 30 FFEDLO C=C(C)Cn1c(C2CC(O)C2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001122575297 1023346823 /nfs/dbraw/zinc/34/68/23/1023346823.db2.gz GTMGAHXKJXFIEJ-UHFFFAOYSA-N 1 2 368.485 2.568 20 30 FFEDLO CCOCCCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@](C)(C#N)C1 ZINC001122607429 1023365512 /nfs/dbraw/zinc/36/55/12/1023365512.db2.gz WEQIDBQAROADDD-QFBILLFUSA-N 1 2 360.506 2.601 20 30 FFEDLO CCOCCCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@](C)(C#N)C1 ZINC001122607429 1023365519 /nfs/dbraw/zinc/36/55/19/1023365519.db2.gz WEQIDBQAROADDD-QFBILLFUSA-N 1 2 360.506 2.601 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(CCCO)CC1 ZINC001122622372 1023374485 /nfs/dbraw/zinc/37/44/85/1023374485.db2.gz AQFCFTUCEAYHAQ-GOSISDBHSA-N 1 2 361.534 3.000 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(CCCO)CC1 ZINC001122622372 1023374490 /nfs/dbraw/zinc/37/44/90/1023374490.db2.gz AQFCFTUCEAYHAQ-GOSISDBHSA-N 1 2 361.534 3.000 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001122625318 1023375822 /nfs/dbraw/zinc/37/58/22/1023375822.db2.gz FJJRRTUWIFWJBK-ROUUACIJSA-N 1 2 359.518 2.845 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc(C[NH+]2CCCCC2)n1CCCOCC ZINC001122660102 1023394880 /nfs/dbraw/zinc/39/48/80/1023394880.db2.gz JSXHEZSNHVVPTI-GOSISDBHSA-N 1 2 359.518 2.683 20 30 FFEDLO COc1cccc(OCC2N=NC(=S)N2N=C2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000753954245 1023405823 /nfs/dbraw/zinc/40/58/23/1023405823.db2.gz CNTYIBWNSYIHFB-LBPRGKRZSA-N 1 2 373.482 2.615 20 30 FFEDLO COc1cccc(OCC2N=NC(=S)N2N=C2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000753954245 1023405828 /nfs/dbraw/zinc/40/58/28/1023405828.db2.gz CNTYIBWNSYIHFB-LBPRGKRZSA-N 1 2 373.482 2.615 20 30 FFEDLO COc1ccc(C2N=NC(=S)N2N=C2C[C@H](C)[N@@H+](C3CC3)C2)cc1OC ZINC000753954734 1023406132 /nfs/dbraw/zinc/40/61/32/1023406132.db2.gz GXFHTCGMXMRHQU-NSHDSACASA-N 1 2 373.482 2.712 20 30 FFEDLO COc1ccc(C2N=NC(=S)N2N=C2C[C@H](C)[N@H+](C3CC3)C2)cc1OC ZINC000753954734 1023406136 /nfs/dbraw/zinc/40/61/36/1023406136.db2.gz GXFHTCGMXMRHQU-NSHDSACASA-N 1 2 373.482 2.712 20 30 FFEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCO[C@H]1C(C)C ZINC000948919769 1023412964 /nfs/dbraw/zinc/41/29/64/1023412964.db2.gz QXEZSAIXGDICAK-HBMCJLEFSA-N 1 2 354.494 2.786 20 30 FFEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCO[C@H]1C(C)C ZINC000948919769 1023412970 /nfs/dbraw/zinc/41/29/70/1023412970.db2.gz QXEZSAIXGDICAK-HBMCJLEFSA-N 1 2 354.494 2.786 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001120774737 1023462530 /nfs/dbraw/zinc/46/25/30/1023462530.db2.gz CMXGZWKFHNDQPB-HFTRVMKXSA-N 1 2 358.486 2.902 20 30 FFEDLO C#CCNC(=O)C1CC[NH+](CC(=O)c2cc(C)n(CCC(C)C)c2C)CC1 ZINC000754637853 1023496947 /nfs/dbraw/zinc/49/69/47/1023496947.db2.gz CAOMXXZOFSJKRJ-UHFFFAOYSA-N 1 2 371.525 2.795 20 30 FFEDLO C=CCO[C@H]1CCN(c2nnc(C[NH+]3CCCC3)n2Cc2cccs2)C1 ZINC001122906943 1023545980 /nfs/dbraw/zinc/54/59/80/1023545980.db2.gz FACRSWLMJPXJSV-INIZCTEOSA-N 1 2 373.526 2.765 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001222757424 1033146617 /nfs/dbraw/zinc/14/66/17/1033146617.db2.gz PJFLVGWYHIYQLN-XLIONFOSSA-N 1 2 371.529 2.798 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001222757424 1033146622 /nfs/dbraw/zinc/14/66/22/1033146622.db2.gz PJFLVGWYHIYQLN-XLIONFOSSA-N 1 2 371.529 2.798 20 30 FFEDLO CC(C)c1[nH+]c(C=NNC(=S)NCCc2ccccn2)c2ccccn21 ZINC000755683198 1023624359 /nfs/dbraw/zinc/62/43/59/1023624359.db2.gz NXLUQAYIUDOIGJ-UHFFFAOYSA-N 1 2 366.494 2.893 20 30 FFEDLO NC(=NOCCCc1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000755945247 1023653519 /nfs/dbraw/zinc/65/35/19/1023653519.db2.gz ODRUTYWPQTUBFV-UHFFFAOYSA-N 1 2 353.466 2.789 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2C[C@@H]2CCCCO2)C1 ZINC001123149610 1023657474 /nfs/dbraw/zinc/65/74/74/1023657474.db2.gz URJTXNKBMDLKGK-MOPGFXCFSA-N 1 2 371.529 2.683 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000756070903 1023664781 /nfs/dbraw/zinc/66/47/81/1023664781.db2.gz GKLGCKATLUHZLE-IAGOWNOFSA-N 1 2 367.453 2.800 20 30 FFEDLO N#CCCN(CC1CC1)c1nnc(C[NH+]2CCCC2)n1C[C@@H]1CCCCO1 ZINC001123261062 1023713184 /nfs/dbraw/zinc/71/31/84/1023713184.db2.gz YYBRICKRXBVCIF-SFHVURJKSA-N 1 2 372.517 2.573 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C#N ZINC000756545172 1023726235 /nfs/dbraw/zinc/72/62/35/1023726235.db2.gz QMQGKMOEARHZHP-OAHLLOKOSA-N 1 2 373.453 2.786 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C#N ZINC000756545172 1023726239 /nfs/dbraw/zinc/72/62/39/1023726239.db2.gz QMQGKMOEARHZHP-OAHLLOKOSA-N 1 2 373.453 2.786 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000779388488 1023765359 /nfs/dbraw/zinc/76/53/59/1023765359.db2.gz MYECXCJMDRQEMF-FUHWJXTLSA-N 1 2 367.453 2.721 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1CC[C@H]2CC[N@H+](Cc3cscn3)[C@H]2C1)OCC ZINC001222799623 1033162280 /nfs/dbraw/zinc/16/22/80/1033162280.db2.gz MWYTYWPAMPNKKV-BPQIPLTHSA-N 1 2 363.527 2.937 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1CC[C@H]2CC[N@@H+](Cc3cscn3)[C@H]2C1)OCC ZINC001222799623 1033162291 /nfs/dbraw/zinc/16/22/91/1033162291.db2.gz MWYTYWPAMPNKKV-BPQIPLTHSA-N 1 2 363.527 2.937 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](Cc2ccc3c(c2)COC3)C1 ZINC000950346760 1023798953 /nfs/dbraw/zinc/79/89/53/1023798953.db2.gz MWERLDVNGMVQHB-RTWAWAEBSA-N 1 2 370.493 2.731 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C(C)C)CC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121607937 1023877708 /nfs/dbraw/zinc/87/77/08/1023877708.db2.gz QIDZUJWOKIQCGZ-ZWOKBUDYSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C(C)C)CC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001121607937 1023877711 /nfs/dbraw/zinc/87/77/11/1023877711.db2.gz QIDZUJWOKIQCGZ-ZWOKBUDYSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)CCCCc1ccccc1 ZINC001121608168 1023878826 /nfs/dbraw/zinc/87/88/26/1023878826.db2.gz DKSBXCIQSKKILN-MOPGFXCFSA-N 1 2 369.513 2.661 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)CCCCc1ccccc1 ZINC001121608168 1023878834 /nfs/dbraw/zinc/87/88/34/1023878834.db2.gz DKSBXCIQSKKILN-MOPGFXCFSA-N 1 2 369.513 2.661 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccccc1OCC)C2 ZINC001111348560 1024260972 /nfs/dbraw/zinc/26/09/72/1024260972.db2.gz BRXDUJPGKVQIHB-OAGGEKHMSA-N 1 2 364.873 2.938 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccccc1OCC)C2 ZINC001111348560 1024260986 /nfs/dbraw/zinc/26/09/86/1024260986.db2.gz BRXDUJPGKVQIHB-OAGGEKHMSA-N 1 2 364.873 2.938 20 30 FFEDLO N#Cc1cc(CN[C@@]2(CO)CCC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000758715014 1024262820 /nfs/dbraw/zinc/26/28/20/1024262820.db2.gz DJXKVGMAVQTMRF-NRFANRHFSA-N 1 2 353.441 2.814 20 30 FFEDLO N#Cc1cc(CN[C@@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000758715014 1024262834 /nfs/dbraw/zinc/26/28/34/1024262834.db2.gz DJXKVGMAVQTMRF-NRFANRHFSA-N 1 2 353.441 2.814 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218523230 1033199784 /nfs/dbraw/zinc/19/97/84/1033199784.db2.gz IGZQLTDZBJKNHH-SESVDKBCSA-N 1 2 352.478 2.552 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218523230 1033199794 /nfs/dbraw/zinc/19/97/94/1033199794.db2.gz IGZQLTDZBJKNHH-SESVDKBCSA-N 1 2 352.478 2.552 20 30 FFEDLO C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC[N@@H+]2C)n1CCc1ccccc1 ZINC001122189621 1024417930 /nfs/dbraw/zinc/41/79/30/1024417930.db2.gz JUHOGDWAEZLBTP-FUHWJXTLSA-N 1 2 352.486 2.883 20 30 FFEDLO C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC[N@H+]2C)n1CCc1ccccc1 ZINC001122189621 1024417940 /nfs/dbraw/zinc/41/79/40/1024417940.db2.gz JUHOGDWAEZLBTP-FUHWJXTLSA-N 1 2 352.486 2.883 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nc(CC(C)C)no3)C[C@@]2(C)C1 ZINC001101347696 1024513883 /nfs/dbraw/zinc/51/38/83/1024513883.db2.gz CXYPNDBGMBITPK-UZLBHIALSA-N 1 2 360.502 2.905 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nc(CC(C)C)no3)C[C@@]2(C)C1 ZINC001101347696 1024513891 /nfs/dbraw/zinc/51/38/91/1024513891.db2.gz CXYPNDBGMBITPK-UZLBHIALSA-N 1 2 360.502 2.905 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](Cc2cccc(OC)c2C)C1 ZINC000951785592 1024704012 /nfs/dbraw/zinc/70/40/12/1024704012.db2.gz VERPGFPDVRTKGT-MOPGFXCFSA-N 1 2 358.482 2.627 20 30 FFEDLO C=C[C@H](CC(=O)N1C[C@H]2C[N@H+](Cc3cnon3)C[C@@]2(C)C1)c1ccccc1 ZINC001101471345 1024827845 /nfs/dbraw/zinc/82/78/45/1024827845.db2.gz MPXLIFZZSPSHPC-BLIXFSHQSA-N 1 2 366.465 2.710 20 30 FFEDLO C=C[C@H](CC(=O)N1C[C@H]2C[N@@H+](Cc3cnon3)C[C@@]2(C)C1)c1ccccc1 ZINC001101471345 1024827864 /nfs/dbraw/zinc/82/78/64/1024827864.db2.gz MPXLIFZZSPSHPC-BLIXFSHQSA-N 1 2 366.465 2.710 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nncs4)C[C@@]3(C)C2)CCCC1 ZINC001101495030 1024882299 /nfs/dbraw/zinc/88/22/99/1024882299.db2.gz QXCPNNFWYJFZDT-QAPCUYQASA-N 1 2 360.527 2.955 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nncs4)C[C@@]3(C)C2)CCCC1 ZINC001101495030 1024882317 /nfs/dbraw/zinc/88/23/17/1024882317.db2.gz QXCPNNFWYJFZDT-QAPCUYQASA-N 1 2 360.527 2.955 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc(=O)c3ccccc13)C2 ZINC001095854867 1025099325 /nfs/dbraw/zinc/09/93/25/1025099325.db2.gz MWGUZDGDAXYITF-DQYPLSBCSA-N 1 2 358.825 2.881 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc(=O)c3ccccc13)C2 ZINC001095854867 1025099335 /nfs/dbraw/zinc/09/93/35/1025099335.db2.gz MWGUZDGDAXYITF-DQYPLSBCSA-N 1 2 358.825 2.881 20 30 FFEDLO C=CCC(CC=C)C(=O)NC[C@@H]1C[N@@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1C ZINC001101998061 1025270175 /nfs/dbraw/zinc/27/01/75/1025270175.db2.gz SHPPPONSHCBXAF-RHSMWYFYSA-N 1 2 357.502 2.635 20 30 FFEDLO C=CCC(CC=C)C(=O)NC[C@@H]1C[N@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1C ZINC001101998061 1025270188 /nfs/dbraw/zinc/27/01/88/1025270188.db2.gz SHPPPONSHCBXAF-RHSMWYFYSA-N 1 2 357.502 2.635 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001141165990 1025551847 /nfs/dbraw/zinc/55/18/47/1025551847.db2.gz RQMWGZYDLBALOM-UXHICEINSA-N 1 2 353.397 2.905 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001141165990 1025551855 /nfs/dbraw/zinc/55/18/55/1025551855.db2.gz RQMWGZYDLBALOM-UXHICEINSA-N 1 2 353.397 2.905 20 30 FFEDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001141293992 1025780810 /nfs/dbraw/zinc/78/08/10/1025780810.db2.gz RDGURCVVSBQEMZ-LJQANCHMSA-N 1 2 356.447 2.969 20 30 FFEDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001141293992 1025780829 /nfs/dbraw/zinc/78/08/29/1025780829.db2.gz RDGURCVVSBQEMZ-LJQANCHMSA-N 1 2 356.447 2.969 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@@H+](Cc3nccn3C(F)F)C[C@H]2C)C1 ZINC001102352526 1025791352 /nfs/dbraw/zinc/79/13/52/1025791352.db2.gz ILFXOUJRIJQQGG-ZIAGYGMSSA-N 1 2 352.429 2.819 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@H+](Cc3nccn3C(F)F)C[C@H]2C)C1 ZINC001102352526 1025791363 /nfs/dbraw/zinc/79/13/63/1025791363.db2.gz ILFXOUJRIJQQGG-ZIAGYGMSSA-N 1 2 352.429 2.819 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ncnn2CC(C)C)C[C@H]1C ZINC001102410022 1025920979 /nfs/dbraw/zinc/92/09/79/1025920979.db2.gz GMAATTIRSHVCAL-IAGOWNOFSA-N 1 2 361.534 2.721 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ncnn2CC(C)C)C[C@H]1C ZINC001102410022 1025920988 /nfs/dbraw/zinc/92/09/88/1025920988.db2.gz GMAATTIRSHVCAL-IAGOWNOFSA-N 1 2 361.534 2.721 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000838815320 1026512276 /nfs/dbraw/zinc/51/22/76/1026512276.db2.gz VFGXUFUHEKTDBE-ZDUSSCGKSA-N 1 2 360.414 2.813 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000838815320 1026512281 /nfs/dbraw/zinc/51/22/81/1026512281.db2.gz VFGXUFUHEKTDBE-ZDUSSCGKSA-N 1 2 360.414 2.813 20 30 FFEDLO Cc1n[nH]c(C(=O)NCC[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)c1C ZINC001102806152 1026665770 /nfs/dbraw/zinc/66/57/70/1026665770.db2.gz OQLNIBMNNKFLKN-OXQOHEQNSA-N 1 2 364.493 2.766 20 30 FFEDLO Cc1n[nH]c(C(=O)NCC[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)c1C ZINC001102806152 1026665772 /nfs/dbraw/zinc/66/57/72/1026665772.db2.gz OQLNIBMNNKFLKN-OXQOHEQNSA-N 1 2 364.493 2.766 20 30 FFEDLO C#CCCCCC(=O)NCC[C@@H]1C[N@H+](Cc2noc(CCC)n2)C[C@H]1C ZINC001102883247 1026750936 /nfs/dbraw/zinc/75/09/36/1026750936.db2.gz JQVFVCCZGMYNFR-IAGOWNOFSA-N 1 2 360.502 2.790 20 30 FFEDLO C#CCCCCC(=O)NCC[C@@H]1C[N@@H+](Cc2noc(CCC)n2)C[C@H]1C ZINC001102883247 1026750943 /nfs/dbraw/zinc/75/09/43/1026750943.db2.gz JQVFVCCZGMYNFR-IAGOWNOFSA-N 1 2 360.502 2.790 20 30 FFEDLO Cc1nnc([C@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)[nH]1 ZINC000839660914 1026781989 /nfs/dbraw/zinc/78/19/89/1026781989.db2.gz ZQKDUMHIPAJHIQ-RDJZCZTQSA-N 1 2 366.469 2.546 20 30 FFEDLO Cc1nnc([C@H]2CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)[nH]1 ZINC000839660914 1026781999 /nfs/dbraw/zinc/78/19/99/1026781999.db2.gz ZQKDUMHIPAJHIQ-RDJZCZTQSA-N 1 2 366.469 2.546 20 30 FFEDLO Cc1n[nH]c([C@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)n1 ZINC000839660914 1026782005 /nfs/dbraw/zinc/78/20/05/1026782005.db2.gz ZQKDUMHIPAJHIQ-RDJZCZTQSA-N 1 2 366.469 2.546 20 30 FFEDLO Cc1n[nH]c([C@H]2CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)n1 ZINC000839660914 1026782017 /nfs/dbraw/zinc/78/20/17/1026782017.db2.gz ZQKDUMHIPAJHIQ-RDJZCZTQSA-N 1 2 366.469 2.546 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001102987974 1026860375 /nfs/dbraw/zinc/86/03/75/1026860375.db2.gz YPXMAMYDWZRWTA-YUELXQCFSA-N 1 2 350.894 2.656 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001102987974 1026860377 /nfs/dbraw/zinc/86/03/77/1026860377.db2.gz YPXMAMYDWZRWTA-YUELXQCFSA-N 1 2 350.894 2.656 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](Cc2noc(CC)n2)C[C@H]1C ZINC001103030054 1026897992 /nfs/dbraw/zinc/89/79/92/1026897992.db2.gz NPWKHSPUXBEEHV-TZMCWYRMSA-N 1 2 368.909 2.985 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2noc(CC)n2)C[C@H]1C ZINC001103030054 1026898002 /nfs/dbraw/zinc/89/80/02/1026898002.db2.gz NPWKHSPUXBEEHV-TZMCWYRMSA-N 1 2 368.909 2.985 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)C1 ZINC001158915244 1027187882 /nfs/dbraw/zinc/18/78/82/1027187882.db2.gz PWVDOIIETILJIF-CVEARBPZSA-N 1 2 359.474 2.594 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCCN(c2cc(N3CCC[C@@H](C)C3)nc[nH+]2)C1 ZINC001158915244 1027187893 /nfs/dbraw/zinc/18/78/93/1027187893.db2.gz PWVDOIIETILJIF-CVEARBPZSA-N 1 2 359.474 2.594 20 30 FFEDLO CSc1nc(C[N@@H+]2CCC[C@H](Oc3nccc(C)n3)C2)ccc1C#N ZINC001141945948 1027199979 /nfs/dbraw/zinc/19/99/79/1027199979.db2.gz SLMUVNQBIOKRRB-INIZCTEOSA-N 1 2 355.467 2.817 20 30 FFEDLO CSc1nc(C[N@H+]2CCC[C@H](Oc3nccc(C)n3)C2)ccc1C#N ZINC001141945948 1027199986 /nfs/dbraw/zinc/19/99/86/1027199986.db2.gz SLMUVNQBIOKRRB-INIZCTEOSA-N 1 2 355.467 2.817 20 30 FFEDLO CC[C@H](C)[C@@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])OC ZINC000840703594 1027220616 /nfs/dbraw/zinc/22/06/16/1027220616.db2.gz YQHSBXPGTMITCP-SUMWQHHRSA-N 1 2 356.470 2.707 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H](CC)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001103355022 1027296156 /nfs/dbraw/zinc/29/61/56/1027296156.db2.gz XVMOKKVXBPKBCN-BBWFWOEESA-N 1 2 358.486 2.950 20 30 FFEDLO N#Cc1cc(NC(=O)c2cccn2CC[NH+]2CCOCC2)ccc1C1CC1 ZINC001153380482 1027858256 /nfs/dbraw/zinc/85/82/56/1027858256.db2.gz DRJPJZWTFSSOQT-UHFFFAOYSA-N 1 2 364.449 2.822 20 30 FFEDLO N#Cc1ccc(NC2CC[NH+]([C@@H]3CCOC3=O)CC2)cc1Br ZINC001162832962 1028674804 /nfs/dbraw/zinc/67/48/04/1028674804.db2.gz LUTZCIDPPFCWNQ-OAHLLOKOSA-N 1 2 364.243 2.513 20 30 FFEDLO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NCc1ccc2[nH+]ccn2c1 ZINC001163140827 1028822553 /nfs/dbraw/zinc/82/25/53/1028822553.db2.gz NCRVCIBWJDRYBA-AWEZNQCLSA-N 1 2 372.388 2.670 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(C)oc1C ZINC001155730244 1028877156 /nfs/dbraw/zinc/87/71/56/1028877156.db2.gz IIFBGJQACGEIAP-LJHODMEESA-N 1 2 363.502 2.989 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(C)oc1C ZINC001155730244 1028877174 /nfs/dbraw/zinc/87/71/74/1028877174.db2.gz IIFBGJQACGEIAP-LJHODMEESA-N 1 2 363.502 2.989 20 30 FFEDLO CC(C)CCc1noc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)n1 ZINC001111741641 1029306681 /nfs/dbraw/zinc/30/66/81/1029306681.db2.gz IQCQXUZDDIWEBC-UWJYYQICSA-N 1 2 370.497 2.542 20 30 FFEDLO CC(C)CCc1noc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)n1 ZINC001111741641 1029306696 /nfs/dbraw/zinc/30/66/96/1029306696.db2.gz IQCQXUZDDIWEBC-UWJYYQICSA-N 1 2 370.497 2.542 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1nc(COC)no1)C2 ZINC001111764908 1029380904 /nfs/dbraw/zinc/38/09/04/1029380904.db2.gz JBCAOTFPRNIJJJ-VCBZYWHSSA-N 1 2 362.474 2.604 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1nc(COC)no1)C2 ZINC001111764908 1029380919 /nfs/dbraw/zinc/38/09/19/1029380919.db2.gz JBCAOTFPRNIJJJ-VCBZYWHSSA-N 1 2 362.474 2.604 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1C(C)(C)C)C2 ZINC001111846223 1029609273 /nfs/dbraw/zinc/60/92/73/1029609273.db2.gz WCNJOSZRADHBGU-UWJYYQICSA-N 1 2 371.529 2.697 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1C(C)(C)C)C2 ZINC001111846223 1029609276 /nfs/dbraw/zinc/60/92/76/1029609276.db2.gz WCNJOSZRADHBGU-UWJYYQICSA-N 1 2 371.529 2.697 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C3CC3)n1C)C2 ZINC001111848901 1029614294 /nfs/dbraw/zinc/61/42/94/1029614294.db2.gz XBSBDXPNJPLPRF-KUDFPVQQSA-N 1 2 371.529 2.766 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C3CC3)n1C)C2 ZINC001111848901 1029614302 /nfs/dbraw/zinc/61/43/02/1029614302.db2.gz XBSBDXPNJPLPRF-KUDFPVQQSA-N 1 2 371.529 2.766 20 30 FFEDLO COc1cc(N2CCN(c3nc(C)c(Cl)c(C)c3C#N)CC2)cc[nH+]1 ZINC001158097647 1029732598 /nfs/dbraw/zinc/73/25/98/1029732598.db2.gz FKUVFBCDXMNUMW-UHFFFAOYSA-N 1 2 357.845 2.954 20 30 FFEDLO Cc1csc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C(F)(F)F)n1 ZINC001112099543 1030000038 /nfs/dbraw/zinc/00/00/38/1030000038.db2.gz BIEKEUSAIPHAHY-CHWSQXEVSA-N 1 2 359.417 2.590 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C/C(Cl)=C/Cl)C1 ZINC001112099750 1030002936 /nfs/dbraw/zinc/00/29/36/1030002936.db2.gz IWZPCPMAFQMREN-XRHVUQDBSA-N 1 2 357.203 2.944 20 30 FFEDLO N#Cc1nc(N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)ccc1Cl ZINC001165983980 1030189340 /nfs/dbraw/zinc/18/93/40/1030189340.db2.gz KBSPANDQHYIABE-UHFFFAOYSA-N 1 2 369.856 2.877 20 30 FFEDLO O=C(C#Cc1ccc2c(c1)OCO2)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783644136 1030207440 /nfs/dbraw/zinc/20/74/40/1030207440.db2.gz CAYIMWWBXLGGGD-UHFFFAOYSA-N 1 2 365.433 2.682 20 30 FFEDLO C=C(C)C(=O)Nc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001142511270 1030562524 /nfs/dbraw/zinc/56/25/24/1030562524.db2.gz BVCBONWGOOHDBY-UHFFFAOYSA-N 1 2 350.422 2.559 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC(C)(C)C1 ZINC000784349117 1030583130 /nfs/dbraw/zinc/58/31/30/1030583130.db2.gz NEFVPMXTZIGGBE-ZFWWWQNUSA-N 1 2 352.438 2.880 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC(C)(C)C1 ZINC000784349117 1030583134 /nfs/dbraw/zinc/58/31/34/1030583134.db2.gz NEFVPMXTZIGGBE-ZFWWWQNUSA-N 1 2 352.438 2.880 20 30 FFEDLO Cc1ccc(N2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)cc1 ZINC000784388922 1030598047 /nfs/dbraw/zinc/59/80/47/1030598047.db2.gz CZAZIQTZXDPYOD-NRFANRHFSA-N 1 2 360.461 2.794 20 30 FFEDLO C=CCn1c(=O)c2ccc(-c3nc([C@@H]([NH3+])CC(C)C)no3)cc2[nH]c1=S ZINC000842588599 1030802415 /nfs/dbraw/zinc/80/24/15/1030802415.db2.gz NGIQBWIGUBOZQZ-ZDUSSCGKSA-N 1 2 371.466 2.967 20 30 FFEDLO CCOc1cccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1O ZINC000798274220 1031353242 /nfs/dbraw/zinc/35/32/42/1031353242.db2.gz BLCWWCAGUQIPSW-CABCVRRESA-N 1 2 361.442 2.640 20 30 FFEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1ccc(F)c(C#N)c1 ZINC001205467039 1031767786 /nfs/dbraw/zinc/76/77/86/1031767786.db2.gz GWVKWRYQZBNNPC-IBGZPJMESA-N 1 2 369.444 2.710 20 30 FFEDLO O=C1C=C(NNc2[nH+]c(-c3ccccn3)nc3c2CCC3)[C@H]2CCCCN12 ZINC000799481566 1031779881 /nfs/dbraw/zinc/77/98/81/1031779881.db2.gz XFDFPAOEIQVYAP-QGZVFWFLSA-N 1 2 362.437 2.580 20 30 FFEDLO COC(=O)c1ccccc1N1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001205493596 1031789558 /nfs/dbraw/zinc/78/95/58/1031789558.db2.gz BSBBUKQIMUKRLD-UHFFFAOYSA-N 1 2 353.397 2.806 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000799942253 1031929322 /nfs/dbraw/zinc/92/93/22/1031929322.db2.gz ACCMNOOODWCJNI-UHFFFAOYSA-N 1 2 362.393 2.854 20 30 FFEDLO CC[C@@H](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218832017 1033364745 /nfs/dbraw/zinc/36/47/45/1033364745.db2.gz ISLGEVIENCOLTD-HLAWJBBLSA-N 1 2 354.494 2.776 20 30 FFEDLO CC[C@@H](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218832017 1033364755 /nfs/dbraw/zinc/36/47/55/1033364755.db2.gz ISLGEVIENCOLTD-HLAWJBBLSA-N 1 2 354.494 2.776 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cn(CC4CC4)nn3)[C@H]2C1 ZINC001223338124 1033401556 /nfs/dbraw/zinc/40/15/56/1033401556.db2.gz IGNXKXKQUGWFHI-HQRMLTQVSA-N 1 2 371.529 2.713 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(CC4CC4)nn3)[C@H]2C1 ZINC001223338124 1033401570 /nfs/dbraw/zinc/40/15/70/1033401570.db2.gz IGNXKXKQUGWFHI-HQRMLTQVSA-N 1 2 371.529 2.713 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001223344983 1033404811 /nfs/dbraw/zinc/40/48/11/1033404811.db2.gz SJLDQXBQAYPWSC-UXLLHSPISA-N 1 2 358.486 2.972 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001223344983 1033404819 /nfs/dbraw/zinc/40/48/19/1033404819.db2.gz SJLDQXBQAYPWSC-UXLLHSPISA-N 1 2 358.486 2.972 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(CC)n4C)[C@H]3C2)CCC1 ZINC001223439122 1033445619 /nfs/dbraw/zinc/44/56/19/1033445619.db2.gz PFDSEKTUGNKGGH-SJORKVTESA-N 1 2 371.529 2.547 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc(CC)n4C)[C@H]3C2)CCC1 ZINC001223439122 1033445623 /nfs/dbraw/zinc/44/56/23/1033445623.db2.gz PFDSEKTUGNKGGH-SJORKVTESA-N 1 2 371.529 2.547 20 30 FFEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3c(F)cc(C)cc3F)C2)OCC1=O ZINC001276906099 1033522604 /nfs/dbraw/zinc/52/26/04/1033522604.db2.gz CUOQHLCLWLHDRL-LJQANCHMSA-N 1 2 350.409 2.653 20 30 FFEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3c(F)cc(C)cc3F)C2)OCC1=O ZINC001276906099 1033522612 /nfs/dbraw/zinc/52/26/12/1033522612.db2.gz CUOQHLCLWLHDRL-LJQANCHMSA-N 1 2 350.409 2.653 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3C[C@@]32C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001276802836 1033543205 /nfs/dbraw/zinc/54/32/05/1033543205.db2.gz ILPYZCGKLZIBLT-VLIAUNLRSA-N 1 2 350.422 2.620 20 30 FFEDLO CCCC[C@@H](CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001219235463 1033567408 /nfs/dbraw/zinc/56/74/08/1033567408.db2.gz WESIBVQXQWCCHZ-LZQZEXGQSA-N 1 2 361.461 2.575 20 30 FFEDLO CCCC[C@@H](CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001219235463 1033567423 /nfs/dbraw/zinc/56/74/23/1033567423.db2.gz WESIBVQXQWCCHZ-LZQZEXGQSA-N 1 2 361.461 2.575 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc3c2OC(F)(F)O3)C1 ZINC001138070460 1033678249 /nfs/dbraw/zinc/67/82/49/1033678249.db2.gz HSSCMUREXQXENR-CYBMUJFWSA-N 1 2 354.353 2.885 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccc3c2OC(F)(F)O3)C1 ZINC001138070460 1033678251 /nfs/dbraw/zinc/67/82/51/1033678251.db2.gz HSSCMUREXQXENR-CYBMUJFWSA-N 1 2 354.353 2.885 20 30 FFEDLO CCOC(=O)c1cnc(CO[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)s1 ZINC001224120551 1033726622 /nfs/dbraw/zinc/72/66/22/1033726622.db2.gz MZGKJSMGVPHANQ-INIZCTEOSA-N 1 2 371.462 2.983 20 30 FFEDLO CCOC(=O)c1cnc(CO[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)s1 ZINC001224120551 1033726627 /nfs/dbraw/zinc/72/66/27/1033726627.db2.gz MZGKJSMGVPHANQ-INIZCTEOSA-N 1 2 371.462 2.983 20 30 FFEDLO N#CCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1ccc(-c2csnn2)cc1 ZINC001276949043 1033731135 /nfs/dbraw/zinc/73/11/35/1033731135.db2.gz NWJVTQSUNXYQPM-QZTJIDSGSA-N 1 2 367.478 2.684 20 30 FFEDLO N#CCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1ccc(-c2csnn2)cc1 ZINC001276949043 1033731151 /nfs/dbraw/zinc/73/11/51/1033731151.db2.gz NWJVTQSUNXYQPM-QZTJIDSGSA-N 1 2 367.478 2.684 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccccc3)oc2C)C[C@@H]1O ZINC001219718356 1033784268 /nfs/dbraw/zinc/78/42/68/1033784268.db2.gz BXVIEKDRJNTVKF-MOPGFXCFSA-N 1 2 369.465 2.668 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)oc2C)C[C@@H]1O ZINC001219718356 1033784282 /nfs/dbraw/zinc/78/42/82/1033784282.db2.gz BXVIEKDRJNTVKF-MOPGFXCFSA-N 1 2 369.465 2.668 20 30 FFEDLO CN1CC[NH+](CCO[C@@H](/C(=N\O)c2ccccc2)c2ccccc2)CC1 ZINC001224552631 1033925263 /nfs/dbraw/zinc/92/52/63/1033925263.db2.gz QVGSZEGINMTLDQ-SADKCHQCSA-N 1 2 353.466 2.870 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccccc3)oc2C)C[C@@H]1O ZINC001220247541 1034067940 /nfs/dbraw/zinc/06/79/40/1034067940.db2.gz GVUIIVOHQMSFTG-MOPGFXCFSA-N 1 2 369.465 2.668 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)oc2C)C[C@@H]1O ZINC001220247541 1034067955 /nfs/dbraw/zinc/06/79/55/1034067955.db2.gz GVUIIVOHQMSFTG-MOPGFXCFSA-N 1 2 369.465 2.668 20 30 FFEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1scnc1Br)CC2 ZINC001277016247 1034104367 /nfs/dbraw/zinc/10/43/67/1034104367.db2.gz VKLMXBNOSWSHLG-NSHDSACASA-N 1 2 370.316 2.810 20 30 FFEDLO CCC[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001220618177 1034291567 /nfs/dbraw/zinc/29/15/67/1034291567.db2.gz IJEJWHDQFIAODB-HBFSDRIKSA-N 1 2 361.461 2.575 20 30 FFEDLO CCC[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001220618177 1034291573 /nfs/dbraw/zinc/29/15/73/1034291573.db2.gz IJEJWHDQFIAODB-HBFSDRIKSA-N 1 2 361.461 2.575 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1O ZINC001220841340 1034424367 /nfs/dbraw/zinc/42/43/67/1034424367.db2.gz UUMDVOXUUAVRBO-SJORKVTESA-N 1 2 353.532 2.945 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1O ZINC001220841340 1034424371 /nfs/dbraw/zinc/42/43/71/1034424371.db2.gz UUMDVOXUUAVRBO-SJORKVTESA-N 1 2 353.532 2.945 20 30 FFEDLO O=C(CCC1CCCCC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220893499 1034444114 /nfs/dbraw/zinc/44/41/14/1034444114.db2.gz GNNPWMPFVDPIKQ-RTWAWAEBSA-N 1 2 354.494 2.560 20 30 FFEDLO O=C(CCC1CCCCC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220893499 1034444123 /nfs/dbraw/zinc/44/41/23/1034444123.db2.gz GNNPWMPFVDPIKQ-RTWAWAEBSA-N 1 2 354.494 2.560 20 30 FFEDLO CCCCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001220895742 1034445766 /nfs/dbraw/zinc/44/57/66/1034445766.db2.gz KKXDVQPIZZYWAH-MOPGFXCFSA-N 1 2 362.901 2.823 20 30 FFEDLO CCCCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001220895742 1034445774 /nfs/dbraw/zinc/44/57/74/1034445774.db2.gz KKXDVQPIZZYWAH-MOPGFXCFSA-N 1 2 362.901 2.823 20 30 FFEDLO C=CCc1cccc(CN2CC[N@H+](Cc3ccccc3)[C@@H](CO)C2)c1O ZINC001138624360 1034476244 /nfs/dbraw/zinc/47/62/44/1034476244.db2.gz FNPJQMOBLKWGII-OAQYLSRUSA-N 1 2 352.478 2.799 20 30 FFEDLO C=CCc1cccc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](CO)C2)c1O ZINC001138624360 1034476256 /nfs/dbraw/zinc/47/62/56/1034476256.db2.gz FNPJQMOBLKWGII-OAQYLSRUSA-N 1 2 352.478 2.799 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3cc(C)cc(C)c3)C[C@H]21 ZINC001221424778 1034742022 /nfs/dbraw/zinc/74/20/22/1034742022.db2.gz OFMRYTLWGUVRNR-IEBWSBKVSA-N 1 2 355.482 2.741 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3cc(C)cc(C)c3)C[C@H]21 ZINC001221424778 1034742037 /nfs/dbraw/zinc/74/20/37/1034742037.db2.gz OFMRYTLWGUVRNR-IEBWSBKVSA-N 1 2 355.482 2.741 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(Cl)c3)C[C@H]21 ZINC001221443050 1034765209 /nfs/dbraw/zinc/76/52/09/1034765209.db2.gz IMRLWMQFNBASIO-RHSMWYFYSA-N 1 2 352.837 2.714 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3)C[C@H]21 ZINC001221443050 1034765222 /nfs/dbraw/zinc/76/52/22/1034765222.db2.gz IMRLWMQFNBASIO-RHSMWYFYSA-N 1 2 352.837 2.714 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)cc3Cl)C[C@H]21 ZINC001221443226 1034769312 /nfs/dbraw/zinc/76/93/12/1034769312.db2.gz SBQBQABPNXDGBU-RHSMWYFYSA-N 1 2 352.837 2.714 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)cc3Cl)C[C@H]21 ZINC001221443226 1034769321 /nfs/dbraw/zinc/76/93/21/1034769321.db2.gz SBQBQABPNXDGBU-RHSMWYFYSA-N 1 2 352.837 2.714 20 30 FFEDLO CSC[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221447458 1034775040 /nfs/dbraw/zinc/77/50/40/1034775040.db2.gz JVBRZFRHPCDGGB-JCKWVBRZSA-N 1 2 361.486 2.729 20 30 FFEDLO CSC[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221447458 1034775051 /nfs/dbraw/zinc/77/50/51/1034775051.db2.gz JVBRZFRHPCDGGB-JCKWVBRZSA-N 1 2 361.486 2.729 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3c(C)nn(C)c3Cl)C[C@H]21 ZINC001221488435 1034812694 /nfs/dbraw/zinc/81/26/94/1034812694.db2.gz IEUJAHNHIYDSEK-NVXWUHKLSA-N 1 2 362.905 2.608 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2CC[N@H+](Cc3c(C)nn(C)c3Cl)C[C@H]21 ZINC001221488435 1034812700 /nfs/dbraw/zinc/81/27/00/1034812700.db2.gz IEUJAHNHIYDSEK-NVXWUHKLSA-N 1 2 362.905 2.608 20 30 FFEDLO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3nc(Br)oc3C)C2)C1=O ZINC001276397271 1034918382 /nfs/dbraw/zinc/91/83/82/1034918382.db2.gz AXQOORKFSXEPLK-INIZCTEOSA-N 1 2 368.275 2.746 20 30 FFEDLO C=C(C)CN1CC[C@]2(CC[N@@H+](Cc3nc(Br)oc3C)C2)C1=O ZINC001276397271 1034918387 /nfs/dbraw/zinc/91/83/87/1034918387.db2.gz AXQOORKFSXEPLK-INIZCTEOSA-N 1 2 368.275 2.746 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCCC(C)(C)C)C[C@H]21 ZINC001221760837 1035045518 /nfs/dbraw/zinc/04/55/18/1035045518.db2.gz RQPLDUMLXXHSHL-RCCFBDPRSA-N 1 2 363.546 2.674 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCCC(C)(C)C)C[C@H]21 ZINC001221760837 1035045527 /nfs/dbraw/zinc/04/55/27/1035045527.db2.gz RQPLDUMLXXHSHL-RCCFBDPRSA-N 1 2 363.546 2.674 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[N@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001221761852 1035046103 /nfs/dbraw/zinc/04/61/03/1035046103.db2.gz FZSHIESZWMQARR-IIAWOOMASA-N 1 2 366.456 2.993 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[N@@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001221761852 1035046109 /nfs/dbraw/zinc/04/61/09/1035046109.db2.gz FZSHIESZWMQARR-IIAWOOMASA-N 1 2 366.456 2.993 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221801381 1035081383 /nfs/dbraw/zinc/08/13/83/1035081383.db2.gz VRMQYPJUKUSITH-VAMGGRTRSA-N 1 2 355.482 2.652 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221801381 1035081387 /nfs/dbraw/zinc/08/13/87/1035081387.db2.gz VRMQYPJUKUSITH-VAMGGRTRSA-N 1 2 355.482 2.652 20 30 FFEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cn(Cc3ccccc3)nn1)C2 ZINC001139489322 1035132400 /nfs/dbraw/zinc/13/24/00/1035132400.db2.gz ZONUWIOTEBBBLC-SFTDATJTSA-N 1 2 368.481 2.653 20 30 FFEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cn(Cc3ccccc3)nn1)C2 ZINC001139489322 1035132404 /nfs/dbraw/zinc/13/24/04/1035132404.db2.gz ZONUWIOTEBBBLC-SFTDATJTSA-N 1 2 368.481 2.653 20 30 FFEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC(OCC(=O)N2CCCC2)CC1 ZINC001139692666 1035199657 /nfs/dbraw/zinc/19/96/57/1035199657.db2.gz DYYNASRAFHDEBX-UHFFFAOYSA-N 1 2 361.873 2.815 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCCn3nnc(COCC4CC4)c3C2)cc1C#N ZINC001139723747 1035208350 /nfs/dbraw/zinc/20/83/50/1035208350.db2.gz GGVGCHGVXVLAGB-UHFFFAOYSA-N 1 2 351.454 2.791 20 30 FFEDLO Cc1ccc(C[N@H+]2CCCn3nnc(COCC4CC4)c3C2)cc1C#N ZINC001139723747 1035208352 /nfs/dbraw/zinc/20/83/52/1035208352.db2.gz GGVGCHGVXVLAGB-UHFFFAOYSA-N 1 2 351.454 2.791 20 30 FFEDLO C=CCn1cc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)cn1 ZINC001139771378 1035226773 /nfs/dbraw/zinc/22/67/73/1035226773.db2.gz BIZNWUPJAHYYJE-QXAKKESOSA-N 1 2 354.454 2.523 20 30 FFEDLO C=CCn1cc(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)cn1 ZINC001139771378 1035226775 /nfs/dbraw/zinc/22/67/75/1035226775.db2.gz BIZNWUPJAHYYJE-QXAKKESOSA-N 1 2 354.454 2.523 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](CCN(C)C(=O)OC(C)(C)C)CCC2 ZINC001202991000 1035300391 /nfs/dbraw/zinc/30/03/91/1035300391.db2.gz IDXVGINIFAONNV-UHFFFAOYSA-N 1 2 364.490 2.658 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](CCN(C)C(=O)OC(C)(C)C)CCC2 ZINC001202991000 1035300396 /nfs/dbraw/zinc/30/03/96/1035300396.db2.gz IDXVGINIFAONNV-UHFFFAOYSA-N 1 2 364.490 2.658 20 30 FFEDLO Cc1nc(CO[C@@H]2C[N@H+](Cc3cc(C#N)ccn3)[C@@H]3CCCO[C@H]23)cs1 ZINC001232475022 1035721435 /nfs/dbraw/zinc/72/14/35/1035721435.db2.gz FKIGEZFJXHFYQT-QRVBRYPASA-N 1 2 370.478 2.667 20 30 FFEDLO Cc1nc(CO[C@@H]2C[N@@H+](Cc3cc(C#N)ccn3)[C@@H]3CCCO[C@H]23)cs1 ZINC001232475022 1035721454 /nfs/dbraw/zinc/72/14/54/1035721454.db2.gz FKIGEZFJXHFYQT-QRVBRYPASA-N 1 2 370.478 2.667 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2ccccc2)c1 ZINC001232677887 1035937303 /nfs/dbraw/zinc/93/73/03/1035937303.db2.gz REZNQNBVISOCMM-LJQANCHMSA-N 1 2 361.445 2.902 20 30 FFEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001233043717 1036287778 /nfs/dbraw/zinc/28/77/78/1036287778.db2.gz LMHYQPMMOMOPHM-DFQSSKMNSA-N 1 2 352.438 2.620 20 30 FFEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001233043717 1036287794 /nfs/dbraw/zinc/28/77/94/1036287794.db2.gz LMHYQPMMOMOPHM-DFQSSKMNSA-N 1 2 352.438 2.620 20 30 FFEDLO CN(C)c1ccc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)c(F)c1C#N ZINC001233102538 1036350438 /nfs/dbraw/zinc/35/04/38/1036350438.db2.gz DWSRGWBVROQKSN-UHFFFAOYSA-N 1 2 363.440 2.957 20 30 FFEDLO C#CC[NH+]1CCN(Cc2cccc(OC)c2NC(=O)OC(C)(C)C)CC1 ZINC001233129907 1036384825 /nfs/dbraw/zinc/38/48/25/1036384825.db2.gz TXJARHOLHUFHTN-UHFFFAOYSA-N 1 2 359.470 2.793 20 30 FFEDLO Cc1cc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)n[nH]1 ZINC001203075815 1036399920 /nfs/dbraw/zinc/39/99/20/1036399920.db2.gz PPAYRHIJBGPNMT-NRFANRHFSA-N 1 2 365.481 2.709 20 30 FFEDLO Cc1cc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)n[nH]1 ZINC001203075815 1036399929 /nfs/dbraw/zinc/39/99/29/1036399929.db2.gz PPAYRHIJBGPNMT-NRFANRHFSA-N 1 2 365.481 2.709 20 30 FFEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1cncc(F)c1Cl)CC2 ZINC001277357367 1036504854 /nfs/dbraw/zinc/50/48/54/1036504854.db2.gz ISGVVRDMFWDOPG-CQSZACIVSA-N 1 2 364.852 2.896 20 30 FFEDLO C#CCOc1ccc(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000836611644 1036684270 /nfs/dbraw/zinc/68/42/70/1036684270.db2.gz PBMXCPZVYGYUGT-UHFFFAOYSA-N 1 2 369.490 2.788 20 30 FFEDLO C#CCN1CCC2(CC[NH+](Cc3ncc(Cl)cc3Cl)CC2)C1=O ZINC001277799691 1036713529 /nfs/dbraw/zinc/71/35/29/1036713529.db2.gz APGLIYZDMXWAJE-UHFFFAOYSA-N 1 2 352.265 2.836 20 30 FFEDLO C#CC(C#C)Oc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001234063234 1036900117 /nfs/dbraw/zinc/90/01/17/1036900117.db2.gz UAXGNQAAQSSQNM-UHFFFAOYSA-N 1 2 354.450 2.753 20 30 FFEDLO COc1c(F)cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)cc1F ZINC001206946029 1036964396 /nfs/dbraw/zinc/96/43/96/1036964396.db2.gz GTSWFQJKTNHSRS-CXAGYDPISA-N 1 2 350.409 2.569 20 30 FFEDLO COc1c(F)cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)cc1F ZINC001206946029 1036964404 /nfs/dbraw/zinc/96/44/04/1036964404.db2.gz GTSWFQJKTNHSRS-CXAGYDPISA-N 1 2 350.409 2.569 20 30 FFEDLO Cc1ccc2sc(C[N@H+]3C[C@@H](C)[C@H](NC(=O)C#CC4CC4)C3)nc2c1 ZINC001206951655 1036974377 /nfs/dbraw/zinc/97/43/77/1036974377.db2.gz DBVPYIYITYYSAM-RHSMWYFYSA-N 1 2 353.491 2.955 20 30 FFEDLO Cc1ccc2sc(C[N@@H+]3C[C@@H](C)[C@H](NC(=O)C#CC4CC4)C3)nc2c1 ZINC001206951655 1036974389 /nfs/dbraw/zinc/97/43/89/1036974389.db2.gz DBVPYIYITYYSAM-RHSMWYFYSA-N 1 2 353.491 2.955 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@]3(CCN(CCC(F)(F)F)C3=O)C2)c1 ZINC001277850026 1037007543 /nfs/dbraw/zinc/00/75/43/1037007543.db2.gz MATDBSOYBGOJTI-KRWDZBQOSA-N 1 2 367.371 2.641 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@]3(CCN(CCC(F)(F)F)C3=O)C2)c1 ZINC001277850026 1037007562 /nfs/dbraw/zinc/00/75/62/1037007562.db2.gz MATDBSOYBGOJTI-KRWDZBQOSA-N 1 2 367.371 2.641 20 30 FFEDLO C=CCN(CCN1CC[NH+](Cc2ccncc2)CC1)C(=O)OC(C)(C)C ZINC001207206202 1037246462 /nfs/dbraw/zinc/24/64/62/1037246462.db2.gz RPKBCWXYDPOWKY-UHFFFAOYSA-N 1 2 360.502 2.622 20 30 FFEDLO C=CCN(CC[NH+]1CCN(Cc2ccncc2)CC1)C(=O)OC(C)(C)C ZINC001207206202 1037246477 /nfs/dbraw/zinc/24/64/77/1037246477.db2.gz RPKBCWXYDPOWKY-UHFFFAOYSA-N 1 2 360.502 2.622 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)C[C@H]1C)OCC ZINC001207263306 1037296374 /nfs/dbraw/zinc/29/63/74/1037296374.db2.gz QSHHLNQEQGRBCB-OLMNPRSZSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)C[C@H]1C)OCC ZINC001207263306 1037296387 /nfs/dbraw/zinc/29/63/87/1037296387.db2.gz QSHHLNQEQGRBCB-OLMNPRSZSA-N 1 2 361.486 2.860 20 30 FFEDLO C=CCN1CC2(CCC1=O)CCN(c1nc(N(C)CC)c(C)c[nH+]1)CC2 ZINC001277922236 1037364277 /nfs/dbraw/zinc/36/42/77/1037364277.db2.gz TWLBGEVIEJRVEH-UHFFFAOYSA-N 1 2 357.502 2.636 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncc4ccccc4c3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230854572 1037378824 /nfs/dbraw/zinc/37/88/24/1037378824.db2.gz YLKRATKBKWOXTG-UCHAVSLVSA-N 1 2 361.239 2.989 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncc4ccccc4c3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230854572 1037378838 /nfs/dbraw/zinc/37/88/38/1037378838.db2.gz YLKRATKBKWOXTG-UCHAVSLVSA-N 1 2 361.239 2.989 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncnc4cc(OC(F)(F)F)ccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001231022249 1037438316 /nfs/dbraw/zinc/43/83/16/1037438316.db2.gz FWYAKBIIVPRQDE-BSRWDCPYSA-N 1 2 367.327 2.520 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncnc4cc(OC(F)(F)F)ccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001231022249 1037438319 /nfs/dbraw/zinc/43/83/19/1037438319.db2.gz FWYAKBIIVPRQDE-BSRWDCPYSA-N 1 2 367.327 2.520 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cc(O)cc(OCC)c1)CC2 ZINC001235392855 1037521416 /nfs/dbraw/zinc/52/14/16/1037521416.db2.gz CZYMYDHSLQXCTJ-UHFFFAOYSA-N 1 2 357.454 2.785 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cc(O)cc(OCC)c1)CC2 ZINC001235392855 1037521429 /nfs/dbraw/zinc/52/14/29/1037521429.db2.gz CZYMYDHSLQXCTJ-UHFFFAOYSA-N 1 2 357.454 2.785 20 30 FFEDLO N#CCc1ccccc1C[N@@H+]1CCc2onc(C(=O)N3CCCC3)c2C1 ZINC001235517147 1037603833 /nfs/dbraw/zinc/60/38/33/1037603833.db2.gz JMKUBGZIXPPYLW-UHFFFAOYSA-N 1 2 350.422 2.535 20 30 FFEDLO N#CCc1ccccc1C[N@H+]1CCc2onc(C(=O)N3CCCC3)c2C1 ZINC001235517147 1037603842 /nfs/dbraw/zinc/60/38/42/1037603842.db2.gz JMKUBGZIXPPYLW-UHFFFAOYSA-N 1 2 350.422 2.535 20 30 FFEDLO C=CCN(CC=C)CC[NH+]1CCN(Cc2cc(Br)c[nH]2)CC1 ZINC001231577864 1037698928 /nfs/dbraw/zinc/69/89/28/1037698928.db2.gz CASJTJIZIYDEEI-UHFFFAOYSA-N 1 2 367.335 2.569 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[N@H+](CCC#N)Cc3cccnc3)[C@H]2C1 ZINC001207774461 1037713023 /nfs/dbraw/zinc/71/30/23/1037713023.db2.gz URAPILQHLNZGSG-NNZMDNLPSA-N 1 2 356.470 2.910 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[N@@H+](CCC#N)Cc3cccnc3)[C@H]2C1 ZINC001207774461 1037713040 /nfs/dbraw/zinc/71/30/40/1037713040.db2.gz URAPILQHLNZGSG-NNZMDNLPSA-N 1 2 356.470 2.910 20 30 FFEDLO CCn1ccnc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc(Cl)cc1C#N ZINC001278871392 1038011173 /nfs/dbraw/zinc/01/11/73/1038011173.db2.gz KHTSJZJNTGFHSG-HDICACEKSA-N 1 2 355.873 2.887 20 30 FFEDLO CCn1ccnc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc(Cl)cc1C#N ZINC001278871392 1038011192 /nfs/dbraw/zinc/01/11/92/1038011192.db2.gz KHTSJZJNTGFHSG-HDICACEKSA-N 1 2 355.873 2.887 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001208150971 1038091804 /nfs/dbraw/zinc/09/18/04/1038091804.db2.gz VYAFJHOOKIITLK-WIBUTAKZSA-N 1 2 361.486 2.717 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001208150971 1038091825 /nfs/dbraw/zinc/09/18/25/1038091825.db2.gz VYAFJHOOKIITLK-WIBUTAKZSA-N 1 2 361.486 2.717 20 30 FFEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1nc(Cl)ccc1F)CC2 ZINC001277617431 1038186120 /nfs/dbraw/zinc/18/61/20/1038186120.db2.gz XJMFHOAONNTHQM-CYBMUJFWSA-N 1 2 364.852 2.896 20 30 FFEDLO C=CC[C@H]1NC(=O)N([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1=O ZINC001255832350 1038195233 /nfs/dbraw/zinc/19/52/33/1038195233.db2.gz BRRYFWVUHGUPFD-GDBMZVCRSA-N 1 2 365.836 2.940 20 30 FFEDLO C=CC[C@H]1NC(=O)N([C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1=O ZINC001255832350 1038195235 /nfs/dbraw/zinc/19/52/35/1038195235.db2.gz BRRYFWVUHGUPFD-GDBMZVCRSA-N 1 2 365.836 2.940 20 30 FFEDLO C=CCN1C(=O)COCC12C[NH+](Cc1cccc(SC(F)(F)F)c1)C2 ZINC001278000269 1038213733 /nfs/dbraw/zinc/21/37/33/1038213733.db2.gz FCXMDLCSMDAHQW-UHFFFAOYSA-N 1 2 372.412 2.898 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236828039 1038293421 /nfs/dbraw/zinc/29/34/21/1038293421.db2.gz DDOIXFJPBDWHJH-IBGZPJMESA-N 1 2 364.449 2.976 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1cc2ccccc2cc1O ZINC001236828039 1038293428 /nfs/dbraw/zinc/29/34/28/1038293428.db2.gz DDOIXFJPBDWHJH-IBGZPJMESA-N 1 2 364.449 2.976 20 30 FFEDLO C[N@H+](CCC#N)Cc1cc2c(cc1O)OCCN(C(=O)OC(C)(C)C)C2 ZINC001236843813 1038306558 /nfs/dbraw/zinc/30/65/58/1038306558.db2.gz RFDSLTPJLBUUSY-UHFFFAOYSA-N 1 2 361.442 2.867 20 30 FFEDLO C[N@@H+](CCC#N)Cc1cc2c(cc1O)OCCN(C(=O)OC(C)(C)C)C2 ZINC001236843813 1038306568 /nfs/dbraw/zinc/30/65/68/1038306568.db2.gz RFDSLTPJLBUUSY-UHFFFAOYSA-N 1 2 361.442 2.867 20 30 FFEDLO C[C@H]1C[NH+](C2CN(Cc3ccc(C#N)c(Br)c3)C2)C[C@H](C)O1 ZINC001236861385 1038313599 /nfs/dbraw/zinc/31/35/99/1038313599.db2.gz SBQQQBWIJUXKOL-STQMWFEESA-N 1 2 364.287 2.614 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001208509021 1038370484 /nfs/dbraw/zinc/37/04/84/1038370484.db2.gz PGAPHCIMZUVCOH-ZTQAJYAQSA-N 1 2 361.461 2.803 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001208509021 1038370493 /nfs/dbraw/zinc/37/04/93/1038370493.db2.gz PGAPHCIMZUVCOH-ZTQAJYAQSA-N 1 2 361.461 2.803 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cc3c(cn1)OCCC3)CCO2 ZINC001209501823 1038931129 /nfs/dbraw/zinc/93/11/29/1038931129.db2.gz DFKYFYZHGDWCMO-WIYYLYMNSA-N 1 2 358.482 2.980 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cc3c(cn1)OCCC3)CCO2 ZINC001209501823 1038931147 /nfs/dbraw/zinc/93/11/47/1038931147.db2.gz DFKYFYZHGDWCMO-WIYYLYMNSA-N 1 2 358.482 2.980 20 30 FFEDLO C[C@@H]1COCC[N@@H+]1CCNC(=S)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001245802512 1039118865 /nfs/dbraw/zinc/11/88/65/1039118865.db2.gz SZTDEOQHZRESHJ-LLVKDONJSA-N 1 2 372.416 2.584 20 30 FFEDLO C[C@@H]1COCC[N@H+]1CCNC(=S)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001245802512 1039118873 /nfs/dbraw/zinc/11/88/73/1039118873.db2.gz SZTDEOQHZRESHJ-LLVKDONJSA-N 1 2 372.416 2.584 20 30 FFEDLO CSc1ccc(C[NH+]2CC3(CN(Cc4cc(C#N)n(C)c4)C3)C2)s1 ZINC001279076519 1039198407 /nfs/dbraw/zinc/19/84/07/1039198407.db2.gz IEDLZZGEZXXTLA-UHFFFAOYSA-N 1 2 358.536 2.998 20 30 FFEDLO CSc1ccc(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)s1 ZINC001279076519 1039198413 /nfs/dbraw/zinc/19/84/13/1039198413.db2.gz IEDLZZGEZXXTLA-UHFFFAOYSA-N 1 2 358.536 2.998 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](CC)CCC)C2)c1 ZINC001209799874 1039233889 /nfs/dbraw/zinc/23/38/89/1039233889.db2.gz MTCRDPPWXRGUFF-YVWKXTFCSA-N 1 2 369.509 2.869 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](CC)CCC)C2)c1 ZINC001209799874 1039233903 /nfs/dbraw/zinc/23/39/03/1039233903.db2.gz MTCRDPPWXRGUFF-YVWKXTFCSA-N 1 2 369.509 2.869 20 30 FFEDLO CCCCCCCCOC(=O)CN[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246307062 1039306607 /nfs/dbraw/zinc/30/66/07/1039306607.db2.gz BIGLRSWPFVRSKZ-CVEARBPZSA-N 1 2 356.507 2.552 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)c(C#N)c1 ZINC001279091570 1039317241 /nfs/dbraw/zinc/31/72/41/1039317241.db2.gz USTRATLJWLSISQ-IYBDPMFKSA-N 1 2 370.453 2.951 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)c(C#N)c1 ZINC001279091570 1039317250 /nfs/dbraw/zinc/31/72/50/1039317250.db2.gz USTRATLJWLSISQ-IYBDPMFKSA-N 1 2 370.453 2.951 20 30 FFEDLO COCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001211146245 1039963135 /nfs/dbraw/zinc/96/31/35/1039963135.db2.gz YOGCRJJXCBMCIN-GPMSIDNRSA-N 1 2 362.901 2.801 20 30 FFEDLO COCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001211146245 1039963147 /nfs/dbraw/zinc/96/31/47/1039963147.db2.gz YOGCRJJXCBMCIN-GPMSIDNRSA-N 1 2 362.901 2.801 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2nonc2C)C[C@H]1C)c1ccccc1 ZINC001211224130 1040009373 /nfs/dbraw/zinc/00/93/73/1040009373.db2.gz KYSYNMWHBAHHNW-UWWQBHOKSA-N 1 2 354.454 2.674 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2nonc2C)C[C@H]1C)c1ccccc1 ZINC001211224130 1040009384 /nfs/dbraw/zinc/00/93/84/1040009384.db2.gz KYSYNMWHBAHHNW-UWWQBHOKSA-N 1 2 354.454 2.674 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2cn(CC)nn2)C[C@H]1C)c1ccccc1 ZINC001211227903 1040012505 /nfs/dbraw/zinc/01/25/05/1040012505.db2.gz BOQLHWWVDNJJGX-FUHIMQAGSA-N 1 2 367.497 2.594 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2cn(CC)nn2)C[C@H]1C)c1ccccc1 ZINC001211227903 1040012518 /nfs/dbraw/zinc/01/25/18/1040012518.db2.gz BOQLHWWVDNJJGX-FUHIMQAGSA-N 1 2 367.497 2.594 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CCCn1cccc1 ZINC001211228225 1040016100 /nfs/dbraw/zinc/01/61/00/1040016100.db2.gz RDZRDFAFBONLRT-OXQOHEQNSA-N 1 2 368.456 2.916 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CCCn1cccc1 ZINC001211228225 1040016120 /nfs/dbraw/zinc/01/61/20/1040016120.db2.gz RDZRDFAFBONLRT-OXQOHEQNSA-N 1 2 368.456 2.916 20 30 FFEDLO N#Cc1cc(Nc2cccc(OCC[NH+]3CCOCC3)c2)cc([N+](=O)[O-])c1 ZINC001211327891 1040083661 /nfs/dbraw/zinc/08/36/61/1040083661.db2.gz NAXXLEXZWDTFDV-UHFFFAOYSA-N 1 2 368.393 2.921 20 30 FFEDLO C=CCn1cc(C[NH+]2CC3(C2)CCN(C(=O)[C@@H]2C=CCC=C2C)C3)cn1 ZINC001278709455 1040088545 /nfs/dbraw/zinc/08/85/45/1040088545.db2.gz AWPXBHAOBQPGEQ-LJQANCHMSA-N 1 2 352.482 2.626 20 30 FFEDLO C#CC[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1C)c1ccccc1 ZINC001211473562 1040237518 /nfs/dbraw/zinc/23/75/18/1040237518.db2.gz SGXFLZSTAWHMLG-YVWKXTFCSA-N 1 2 351.450 2.808 20 30 FFEDLO C#CC[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1C)c1ccccc1 ZINC001211473562 1040237520 /nfs/dbraw/zinc/23/75/20/1040237520.db2.gz SGXFLZSTAWHMLG-YVWKXTFCSA-N 1 2 351.450 2.808 20 30 FFEDLO C#C[C@H]1CCC[N@@H+](Cc2ccc(OC)c(I)c2O)C1 ZINC001248494374 1040300318 /nfs/dbraw/zinc/30/03/18/1040300318.db2.gz UAYKKKMBRHROSV-NSHDSACASA-N 1 2 371.218 2.851 20 30 FFEDLO C#C[C@H]1CCC[N@H+](Cc2ccc(OC)c(I)c2O)C1 ZINC001248494374 1040300331 /nfs/dbraw/zinc/30/03/31/1040300331.db2.gz UAYKKKMBRHROSV-NSHDSACASA-N 1 2 371.218 2.851 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2OC)CCC1 ZINC001213385478 1040499567 /nfs/dbraw/zinc/49/95/67/1040499567.db2.gz OWCDUJFHVZTKIC-WOJBJXKFSA-N 1 2 352.478 2.600 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2OC)CCC1 ZINC001213385478 1040499579 /nfs/dbraw/zinc/49/95/79/1040499579.db2.gz OWCDUJFHVZTKIC-WOJBJXKFSA-N 1 2 352.478 2.600 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213390290 1040505375 /nfs/dbraw/zinc/50/53/75/1040505375.db2.gz WMOQLXFUQLHLIG-QWFCFKBJSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213390290 1040505396 /nfs/dbraw/zinc/50/53/96/1040505396.db2.gz WMOQLXFUQLHLIG-QWFCFKBJSA-N 1 2 359.445 2.615 20 30 FFEDLO N#Cc1ccn2ncc(CN3CC[C@H]([NH+]4CCCCC4)C(F)(F)C3)c2c1 ZINC001249125512 1040593473 /nfs/dbraw/zinc/59/34/73/1040593473.db2.gz WLGVXPNBMQNLDO-SFHVURJKSA-N 1 2 359.424 2.901 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213495944 1040610565 /nfs/dbraw/zinc/61/05/65/1040610565.db2.gz DRCFNYAHVHPZLX-RTBURBONSA-N 1 2 358.457 2.595 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213495944 1040610574 /nfs/dbraw/zinc/61/05/74/1040610574.db2.gz DRCFNYAHVHPZLX-RTBURBONSA-N 1 2 358.457 2.595 20 30 FFEDLO CCC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1OC)C(C)C ZINC001213508726 1040623357 /nfs/dbraw/zinc/62/33/57/1040623357.db2.gz BLGOJZHFZYXFLL-XUVXKRRUSA-N 1 2 357.498 2.946 20 30 FFEDLO CCC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1OC)C(C)C ZINC001213508726 1040623366 /nfs/dbraw/zinc/62/33/66/1040623366.db2.gz BLGOJZHFZYXFLL-XUVXKRRUSA-N 1 2 357.498 2.946 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H](C)CC(C)C ZINC001213633851 1040744730 /nfs/dbraw/zinc/74/47/30/1040744730.db2.gz LLNCBIWSTPLLGB-NIKGAXFTSA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H](C)CC(C)C ZINC001213633851 1040744747 /nfs/dbraw/zinc/74/47/47/1040744747.db2.gz LLNCBIWSTPLLGB-NIKGAXFTSA-N 1 2 361.461 2.695 20 30 FFEDLO C#CC[N@@H+](C)Cc1nn([C@H]2CCCCO2)c2cnc(Br)cc12 ZINC001249453929 1040776141 /nfs/dbraw/zinc/77/61/41/1040776141.db2.gz FQOSFZBHZAZEPI-MRXNPFEDSA-N 1 2 363.259 2.958 20 30 FFEDLO C#CC[N@H+](C)Cc1nn([C@H]2CCCCO2)c2cnc(Br)cc12 ZINC001249453929 1040776153 /nfs/dbraw/zinc/77/61/53/1040776153.db2.gz FQOSFZBHZAZEPI-MRXNPFEDSA-N 1 2 363.259 2.958 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](CN2C(=O)N[C@](CC)(c3ccc(CC)cc3)C2=O)C1 ZINC001254535613 1040787485 /nfs/dbraw/zinc/78/74/85/1040787485.db2.gz GKWRBLAGTNIAJO-GHTZIAJQSA-N 1 2 371.481 2.641 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](CN2C(=O)N[C@](CC)(c3ccc(CC)cc3)C2=O)C1 ZINC001254535613 1040787501 /nfs/dbraw/zinc/78/75/01/1040787501.db2.gz GKWRBLAGTNIAJO-GHTZIAJQSA-N 1 2 371.481 2.641 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@@H](C)c1ccco1 ZINC001213734358 1040856541 /nfs/dbraw/zinc/85/65/41/1040856541.db2.gz UUKHHNWBYPBBJA-XFQXTVEOSA-N 1 2 367.449 2.660 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@@H](C)c1ccco1 ZINC001213734358 1040856550 /nfs/dbraw/zinc/85/65/50/1040856550.db2.gz UUKHHNWBYPBBJA-XFQXTVEOSA-N 1 2 367.449 2.660 20 30 FFEDLO Cc1nc(COC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)Cc3ncn(C)c32)cs1 ZINC001254664960 1040867098 /nfs/dbraw/zinc/86/70/98/1040867098.db2.gz KMPNPXCWSWLAET-HLLBOEOZSA-N 1 2 371.510 2.993 20 30 FFEDLO Cc1nc(COC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C#N)C3)Cc3ncn(C)c32)cs1 ZINC001254664960 1040867105 /nfs/dbraw/zinc/86/71/05/1040867105.db2.gz KMPNPXCWSWLAET-HLLBOEOZSA-N 1 2 371.510 2.993 20 30 FFEDLO CCCCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213806707 1040935266 /nfs/dbraw/zinc/93/52/66/1040935266.db2.gz CRDJFRWXQFRPSK-WOJBJXKFSA-N 1 2 360.473 2.963 20 30 FFEDLO CCCCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213806707 1040935284 /nfs/dbraw/zinc/93/52/84/1040935284.db2.gz CRDJFRWXQFRPSK-WOJBJXKFSA-N 1 2 360.473 2.963 20 30 FFEDLO N#Cc1cccc(CN2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c1F ZINC001249680140 1040938396 /nfs/dbraw/zinc/93/83/96/1040938396.db2.gz JEIJMTSAUKPKQC-MRXNPFEDSA-N 1 2 354.429 2.952 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccns2)C[C@H]1OC)c1ccccc1 ZINC001213895490 1041041187 /nfs/dbraw/zinc/04/11/87/1041041187.db2.gz DECFPLUHAIXMJK-IPMKNSEASA-N 1 2 371.506 2.818 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccns2)C[C@H]1OC)c1ccccc1 ZINC001213895490 1041041204 /nfs/dbraw/zinc/04/12/04/1041041204.db2.gz DECFPLUHAIXMJK-IPMKNSEASA-N 1 2 371.506 2.818 20 30 FFEDLO CCOC(=O)c1cn2nc([C@H]3CCC[N@@H+]([C@@H](CC)CC#N)C3)sc2n1 ZINC001255177109 1041182543 /nfs/dbraw/zinc/18/25/43/1041182543.db2.gz MLIVGBZXLRMSSH-STQMWFEESA-N 1 2 361.471 2.839 20 30 FFEDLO CCOC(=O)c1cn2nc([C@H]3CCC[N@H+]([C@@H](CC)CC#N)C3)sc2n1 ZINC001255177109 1041182551 /nfs/dbraw/zinc/18/25/51/1041182551.db2.gz MLIVGBZXLRMSSH-STQMWFEESA-N 1 2 361.471 2.839 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([N@@H+]2Cc3cccc(C#N)c3C2)C1 ZINC001261799878 1041426198 /nfs/dbraw/zinc/42/61/98/1041426198.db2.gz AEJXVYHMCJNZHN-PXNSSMCTSA-N 1 2 357.454 2.634 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([N@H+]2Cc3cccc(C#N)c3C2)C1 ZINC001261799878 1041426202 /nfs/dbraw/zinc/42/62/02/1041426202.db2.gz AEJXVYHMCJNZHN-PXNSSMCTSA-N 1 2 357.454 2.634 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC(c2ccsc2)CC1 ZINC001262947215 1041982261 /nfs/dbraw/zinc/98/22/61/1041982261.db2.gz HOAULOUIWZIPMG-IAGOWNOFSA-N 1 2 373.526 2.647 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC(c2ccsc2)CC1 ZINC001262947215 1041982262 /nfs/dbraw/zinc/98/22/62/1041982262.db2.gz HOAULOUIWZIPMG-IAGOWNOFSA-N 1 2 373.526 2.647 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)C[C@H]1CCCO1 ZINC001262979974 1042006076 /nfs/dbraw/zinc/00/60/76/1042006076.db2.gz BXGQPVLPEFSMEW-IAGOWNOFSA-N 1 2 358.490 2.911 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@H](CCF)C1 ZINC001263341750 1042250853 /nfs/dbraw/zinc/25/08/53/1042250853.db2.gz XNMSHQRYPALIHB-JKSUJKDBSA-N 1 2 351.470 2.576 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@H](CCF)C1 ZINC001263341750 1042250855 /nfs/dbraw/zinc/25/08/55/1042250855.db2.gz XNMSHQRYPALIHB-JKSUJKDBSA-N 1 2 351.470 2.576 20 30 FFEDLO CO[C@H]1CC[C@@H]1N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC(C)C ZINC001263418944 1042296168 /nfs/dbraw/zinc/29/61/68/1042296168.db2.gz XDWBLCCTCFOFIS-ROUUACIJSA-N 1 2 374.533 2.641 20 30 FFEDLO CO[C@@H]1CC[C@@H]1N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC(C)C ZINC001263418945 1042296238 /nfs/dbraw/zinc/29/62/38/1042296238.db2.gz XDWBLCCTCFOFIS-ZWKOTPCHSA-N 1 2 374.533 2.641 20 30 FFEDLO C[C@@]1(C#N)CCCN(c2nnc(C[NH+]3CCCCC3)n2C[C@H]2CCCO2)C1 ZINC001263462294 1042324941 /nfs/dbraw/zinc/32/49/41/1042324941.db2.gz JDOREVNUKZLVNC-XLIONFOSSA-N 1 2 372.517 2.573 20 30 FFEDLO N#Cc1cc(C(=O)OCC#Cc2csc(C[NH+]3CCOCC3)c2)cs1 ZINC001263661047 1042423911 /nfs/dbraw/zinc/42/39/11/1042423911.db2.gz XSURRBRADZTNMS-UHFFFAOYSA-N 1 2 372.471 2.722 20 30 FFEDLO CCNc1cc(CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc[nH+]1 ZINC001263752494 1042467077 /nfs/dbraw/zinc/46/70/77/1042467077.db2.gz IZVAHFVGOFQZCF-UHFFFAOYSA-N 1 2 364.453 2.675 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC2(OC)CCC2)[C@H]1CC ZINC001264050433 1042599076 /nfs/dbraw/zinc/59/90/76/1042599076.db2.gz NNXGDBXWRNLMTA-UONOGXRCSA-N 1 2 359.308 2.823 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC2(OC)CCC2)[C@H]1CC ZINC001264050433 1042599080 /nfs/dbraw/zinc/59/90/80/1042599080.db2.gz NNXGDBXWRNLMTA-UONOGXRCSA-N 1 2 359.308 2.823 20 30 FFEDLO C=CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2nncn2C)[C@@H]1CC)c1ccccc1 ZINC001264071243 1042613268 /nfs/dbraw/zinc/61/32/68/1042613268.db2.gz AKVUYUALNRCZBE-GBESFXJTSA-N 1 2 367.497 2.644 20 30 FFEDLO C=CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2nncn2C)[C@@H]1CC)c1ccccc1 ZINC001264071243 1042613271 /nfs/dbraw/zinc/61/32/71/1042613271.db2.gz AKVUYUALNRCZBE-GBESFXJTSA-N 1 2 367.497 2.644 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C)s4)CC[C@@H]3C2)CCC1 ZINC001264096972 1042623115 /nfs/dbraw/zinc/62/31/15/1042623115.db2.gz YWBYJBGPKBHZBD-CVEARBPZSA-N 1 2 360.527 2.873 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C)s4)CC[C@@H]3C2)CCC1 ZINC001264096972 1042623117 /nfs/dbraw/zinc/62/31/17/1042623117.db2.gz YWBYJBGPKBHZBD-CVEARBPZSA-N 1 2 360.527 2.873 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)[C@@H]1C ZINC001264135440 1042631174 /nfs/dbraw/zinc/63/11/74/1042631174.db2.gz FIHPPIBRMHSCPM-LBTNJELSSA-N 1 2 371.872 2.764 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)[C@@H]1C ZINC001264135440 1042631178 /nfs/dbraw/zinc/63/11/78/1042631178.db2.gz FIHPPIBRMHSCPM-LBTNJELSSA-N 1 2 371.872 2.764 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)COc2ccc(OC)c(C)c2)[C@H]1C ZINC001264146203 1042636903 /nfs/dbraw/zinc/63/69/03/1042636903.db2.gz WHNDNTZXIIWZRQ-ZBFHGGJFSA-N 1 2 352.862 2.714 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)COc2ccc(OC)c(C)c2)[C@H]1C ZINC001264146203 1042636907 /nfs/dbraw/zinc/63/69/07/1042636907.db2.gz WHNDNTZXIIWZRQ-ZBFHGGJFSA-N 1 2 352.862 2.714 20 30 FFEDLO C=CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cnnn2CC)[C@@H]1C)c1ccccc1 ZINC001264174257 1042653561 /nfs/dbraw/zinc/65/35/61/1042653561.db2.gz XUJPTCSUTXNUNH-UXPWSPDFSA-N 1 2 367.497 2.737 20 30 FFEDLO C=CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cnnn2CC)[C@@H]1C)c1ccccc1 ZINC001264174257 1042653563 /nfs/dbraw/zinc/65/35/63/1042653563.db2.gz XUJPTCSUTXNUNH-UXPWSPDFSA-N 1 2 367.497 2.737 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CCc2ccon2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001264614374 1042746291 /nfs/dbraw/zinc/74/62/91/1042746291.db2.gz XLTJPKOPLNWPGQ-RBUKOAKNSA-N 1 2 370.428 2.787 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CCc2ccon2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001264614374 1042746294 /nfs/dbraw/zinc/74/62/94/1042746294.db2.gz XLTJPKOPLNWPGQ-RBUKOAKNSA-N 1 2 370.428 2.787 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@H+](Cc4nc(CC)no4)CC[C@@H]3C2)CCC1 ZINC001264652028 1042770370 /nfs/dbraw/zinc/77/03/70/1042770370.db2.gz QJUYTVUVPMAJRB-CVEARBPZSA-N 1 2 358.486 2.659 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4nc(CC)no4)CC[C@@H]3C2)CCC1 ZINC001264652028 1042770374 /nfs/dbraw/zinc/77/03/74/1042770374.db2.gz QJUYTVUVPMAJRB-CVEARBPZSA-N 1 2 358.486 2.659 20 30 FFEDLO C#Cc1cccc(CN2C[C@@H]3C[N@H+](CCCC(F)(F)F)C[C@H](C2)O3)c1 ZINC001279301281 1042990935 /nfs/dbraw/zinc/99/09/35/1042990935.db2.gz DYFPKFUVUTUDGB-HDICACEKSA-N 1 2 352.400 2.895 20 30 FFEDLO C#Cc1cccc(CN2C[C@@H]3C[N@@H+](CCCC(F)(F)F)C[C@H](C2)O3)c1 ZINC001279301281 1042990939 /nfs/dbraw/zinc/99/09/39/1042990939.db2.gz DYFPKFUVUTUDGB-HDICACEKSA-N 1 2 352.400 2.895 20 30 FFEDLO C#Cc1cccc(C[N@@H+]2C[C@H]3CN(CCCC(F)(F)F)C[C@@H](C2)O3)c1 ZINC001279301281 1042990942 /nfs/dbraw/zinc/99/09/42/1042990942.db2.gz DYFPKFUVUTUDGB-HDICACEKSA-N 1 2 352.400 2.895 20 30 FFEDLO C#Cc1cccc(C[N@H+]2C[C@H]3CN(CCCC(F)(F)F)C[C@@H](C2)O3)c1 ZINC001279301281 1042990943 /nfs/dbraw/zinc/99/09/43/1042990943.db2.gz DYFPKFUVUTUDGB-HDICACEKSA-N 1 2 352.400 2.895 20 30 FFEDLO N#Cc1cc(C[NH+]2CCC(Oc3ccc(C(N)=O)cc3)CC2)c(F)cc1F ZINC001237531160 1043221555 /nfs/dbraw/zinc/22/15/55/1043221555.db2.gz WCCRAURUPHPLTM-UHFFFAOYSA-N 1 2 371.387 2.979 20 30 FFEDLO C[C@@](O)(C1CC[NH+](Cc2cn3cc(C#N)ccc3n2)CC1)C(F)(F)F ZINC001237605863 1043265578 /nfs/dbraw/zinc/26/55/78/1043265578.db2.gz FBOYSQYTYMGCCI-MRXNPFEDSA-N 1 2 352.360 2.731 20 30 FFEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237606873 1043265989 /nfs/dbraw/zinc/26/59/89/1043265989.db2.gz PXSDRXKSPVUYDI-HOCLYGCPSA-N 1 2 369.469 2.941 20 30 FFEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237606873 1043265994 /nfs/dbraw/zinc/26/59/94/1043265994.db2.gz PXSDRXKSPVUYDI-HOCLYGCPSA-N 1 2 369.469 2.941 20 30 FFEDLO COc1cccnc1O[C@H]1CCC[N@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237611167 1043270387 /nfs/dbraw/zinc/27/03/87/1043270387.db2.gz NRWZAFRASBNQLQ-KRWDZBQOSA-N 1 2 363.421 2.653 20 30 FFEDLO COc1cccnc1O[C@H]1CCC[N@@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237611167 1043270389 /nfs/dbraw/zinc/27/03/89/1043270389.db2.gz NRWZAFRASBNQLQ-KRWDZBQOSA-N 1 2 363.421 2.653 20 30 FFEDLO N#Cc1ccc(F)c(S(=O)(=O)Nc2cccc(C3CC[NH2+]CC3)c2)c1 ZINC001237705124 1043321158 /nfs/dbraw/zinc/32/11/58/1043321158.db2.gz AWZCAHFVSLKXAI-UHFFFAOYSA-N 1 2 359.426 2.965 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cccc(N4CCCCC4)n3)CC2)c1 ZINC001238012268 1043483490 /nfs/dbraw/zinc/48/34/90/1043483490.db2.gz ZYDZQQPDPANUBQ-UHFFFAOYSA-N 1 2 362.481 2.661 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)N3CCC(=O)CC3)CC2)c(Cl)c1 ZINC001238085847 1043525117 /nfs/dbraw/zinc/52/51/17/1043525117.db2.gz NUACMEXAKVRWLU-UHFFFAOYSA-N 1 2 359.857 2.615 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](c3ccc(CC)cc3)C2)cc1 ZINC001309972239 1043617221 /nfs/dbraw/zinc/61/72/21/1043617221.db2.gz UTVIJXXCXALQNR-HXUWFJFHSA-N 1 2 354.475 2.566 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)C1 ZINC001313292675 1044301828 /nfs/dbraw/zinc/30/18/28/1044301828.db2.gz SRTBPJUMOCYPFT-IRXDYDNUSA-N 1 2 357.502 2.520 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)C1 ZINC001313292675 1044301834 /nfs/dbraw/zinc/30/18/34/1044301834.db2.gz SRTBPJUMOCYPFT-IRXDYDNUSA-N 1 2 357.502 2.520 20 30 FFEDLO CC/C=C\CCC[N@@H+]1Cc2ccnn2CC[C@H]1C(=O)NC1(C#N)CCC1 ZINC001280220336 1044413401 /nfs/dbraw/zinc/41/34/01/1044413401.db2.gz CZXXYWYRUVWWGX-JXCVUKRWSA-N 1 2 355.486 2.766 20 30 FFEDLO CC/C=C\CCC[N@H+]1Cc2ccnn2CC[C@H]1C(=O)NC1(C#N)CCC1 ZINC001280220336 1044413403 /nfs/dbraw/zinc/41/34/03/1044413403.db2.gz CZXXYWYRUVWWGX-JXCVUKRWSA-N 1 2 355.486 2.766 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCc3ccccc32)[C@@H]1C ZINC001316787009 1044969199 /nfs/dbraw/zinc/96/91/99/1044969199.db2.gz BZWUSBWHQPNLBK-AEFFLSMTSA-N 1 2 369.509 2.757 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCc3ccccc32)[C@@H]1C ZINC001316787009 1044969216 /nfs/dbraw/zinc/96/92/16/1044969216.db2.gz BZWUSBWHQPNLBK-AEFFLSMTSA-N 1 2 369.509 2.757 20 30 FFEDLO CN(C)/C=[NH+]/c1ccc(C2=CCN(C(=O)C(F)(F)F)CC2)cc1C#N ZINC001244224894 1045113942 /nfs/dbraw/zinc/11/39/42/1045113942.db2.gz FTAGTDJDLJIOOU-SSDVNMTOSA-N 1 2 350.344 2.958 20 30 FFEDLO C=CCn1cnn(C[N@@H+]2C[C@H](C(=O)NCCCC)CC[C@H]2C)c1=S ZINC001318015008 1045192632 /nfs/dbraw/zinc/19/26/32/1045192632.db2.gz XQMGSULIPHPPNA-HUUCEWRRSA-N 1 2 351.520 2.574 20 30 FFEDLO C=CCn1cnn(C[N@H+]2C[C@H](C(=O)NCCCC)CC[C@H]2C)c1=S ZINC001318015008 1045192635 /nfs/dbraw/zinc/19/26/35/1045192635.db2.gz XQMGSULIPHPPNA-HUUCEWRRSA-N 1 2 351.520 2.574 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2Cc2sc(C)nc2C)CC1 ZINC001539430390 1070636776 /nfs/dbraw/zinc/63/67/76/1070636776.db2.gz IZSWENIHJLSHPI-CQSZACIVSA-N 1 2 372.542 2.668 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CC(CC)(CC)SC)CC1 ZINC001539445903 1070639431 /nfs/dbraw/zinc/63/94/31/1070639431.db2.gz JYXZNEWMZXFNLU-UHFFFAOYSA-N 1 2 361.559 2.833 20 30 FFEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001320050295 1045338312 /nfs/dbraw/zinc/33/83/12/1045338312.db2.gz YJWGGZTWSDGERH-IAGOWNOFSA-N 1 2 355.413 2.984 20 30 FFEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001320050295 1045338320 /nfs/dbraw/zinc/33/83/20/1045338320.db2.gz YJWGGZTWSDGERH-IAGOWNOFSA-N 1 2 355.413 2.984 20 30 FFEDLO C=CC[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)C(=O)OCC ZINC001321037590 1045518911 /nfs/dbraw/zinc/51/89/11/1045518911.db2.gz OSSIOMRIWMWSHE-MSOLQXFVSA-N 1 2 362.445 2.804 20 30 FFEDLO C=CC[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)C(=O)OCC ZINC001321037590 1045518919 /nfs/dbraw/zinc/51/89/19/1045518919.db2.gz OSSIOMRIWMWSHE-MSOLQXFVSA-N 1 2 362.445 2.804 20 30 FFEDLO CCOC(=O)COc1cccc(C(=O)/C=C/c2ccc[nH+]c2N(C)C)c1 ZINC001323543991 1045632111 /nfs/dbraw/zinc/63/21/11/1045632111.db2.gz DGDUWBUUKQMSMH-ZHACJKMWSA-N 1 2 354.406 2.986 20 30 FFEDLO Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)C#CC3CC3)C2)c(C)[nH+]1 ZINC001282536865 1045803467 /nfs/dbraw/zinc/80/34/67/1045803467.db2.gz YYPPHTURDGECHM-DNVCBOLYSA-N 1 2 367.493 2.635 20 30 FFEDLO C[C@@H](C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)n1cc[nH+]c1 ZINC001324969122 1046314976 /nfs/dbraw/zinc/31/49/76/1046314976.db2.gz ZHOGOWYEMJNUMS-WMLDXEAASA-N 1 2 357.845 2.507 20 30 FFEDLO CCS(=O)(=O)Nc1ccc(C(=O)/C=C\c2ccc[nH+]c2N(C)C)cc1 ZINC001323088260 1046339708 /nfs/dbraw/zinc/33/97/08/1046339708.db2.gz QRFQUIHYIIUZMV-XFXZXTDPSA-N 1 2 359.451 2.805 20 30 FFEDLO CCOc1ccc(N2CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1 ZINC001323178492 1046373501 /nfs/dbraw/zinc/37/35/01/1046373501.db2.gz WJEFIHXZIILHLX-UTKZUKDTSA-N 1 2 372.513 2.650 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CC2(OCC)CCCC2)CC1 ZINC001286469469 1047119786 /nfs/dbraw/zinc/11/97/86/1047119786.db2.gz GQGZAPYFLDOMLN-UHFFFAOYSA-N 1 2 359.518 2.506 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2CCCC)CC1 ZINC001286484664 1047122736 /nfs/dbraw/zinc/12/27/36/1047122736.db2.gz UOBGGLTUVMYFKM-UHFFFAOYSA-N 1 2 371.460 2.552 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001289405358 1047661614 /nfs/dbraw/zinc/66/16/14/1047661614.db2.gz XADBEMIQZFQPMI-ZVGUJKQYSA-N 1 2 368.481 2.822 20 30 FFEDLO C[C@]12CCCC[C@H]1C[N@@H+]2CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC001331672337 1048052526 /nfs/dbraw/zinc/05/25/26/1048052526.db2.gz HDORJYYMCSHEOC-KPHUOKFYSA-N 1 2 350.422 2.776 20 30 FFEDLO C[C@]12CCCC[C@H]1C[N@H+]2CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC001331672337 1048052542 /nfs/dbraw/zinc/05/25/42/1048052542.db2.gz HDORJYYMCSHEOC-KPHUOKFYSA-N 1 2 350.422 2.776 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(Br)cc(F)c2O)C1=O ZINC001332005332 1048207680 /nfs/dbraw/zinc/20/76/80/1048207680.db2.gz UIEKUWWEPOZFOX-ZDUSSCGKSA-N 1 2 357.223 2.513 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Br)cc(F)c2O)C1=O ZINC001332005332 1048207697 /nfs/dbraw/zinc/20/76/97/1048207697.db2.gz UIEKUWWEPOZFOX-ZDUSSCGKSA-N 1 2 357.223 2.513 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC001290670385 1048294203 /nfs/dbraw/zinc/29/42/03/1048294203.db2.gz GTVFRASKGATDCY-WBVHZDCISA-N 1 2 366.465 2.822 20 30 FFEDLO C=C1CCC(CNC(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC001333258177 1048789025 /nfs/dbraw/zinc/78/90/25/1048789025.db2.gz RMOPGABDZAOULW-UHFFFAOYSA-N 1 2 370.497 2.551 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001291914808 1048990157 /nfs/dbraw/zinc/99/01/57/1048990157.db2.gz JORKJTCWIOTEHO-BDXSIMOUSA-N 1 2 358.486 2.514 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001291995337 1049045040 /nfs/dbraw/zinc/04/50/40/1049045040.db2.gz ROUVNONSNXWWPD-MXTNKPTQSA-N 1 2 372.513 2.777 20 30 FFEDLO N#Cc1c2c(cn(C[N@H+]3C[C@@H]4CCC[C@]4(C(F)(F)F)C3)c1=O)CCC2 ZINC001331051895 1049453717 /nfs/dbraw/zinc/45/37/17/1049453717.db2.gz RMIXWUWSOVQNJH-GUYCJALGSA-N 1 2 351.372 2.831 20 30 FFEDLO N#Cc1c2c(cn(C[N@@H+]3C[C@@H]4CCC[C@]4(C(F)(F)F)C3)c1=O)CCC2 ZINC001331051895 1049453722 /nfs/dbraw/zinc/45/37/22/1049453722.db2.gz RMIXWUWSOVQNJH-GUYCJALGSA-N 1 2 351.372 2.831 20 30 FFEDLO CCc1nc(C#N)cc(NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)n1 ZINC001307191636 1049917158 /nfs/dbraw/zinc/91/71/58/1049917158.db2.gz UKPCAIWKNGEIMS-SFHVURJKSA-N 1 2 351.454 2.532 20 30 FFEDLO CCc1nc(C#N)cc(NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)n1 ZINC001307191636 1049917166 /nfs/dbraw/zinc/91/71/66/1049917166.db2.gz UKPCAIWKNGEIMS-SFHVURJKSA-N 1 2 351.454 2.532 20 30 FFEDLO C=C(C)CCC(=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001296827067 1050098259 /nfs/dbraw/zinc/09/82/59/1050098259.db2.gz ZBABPAWSPFEVCS-QZTJIDSGSA-N 1 2 363.546 2.628 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001339777665 1050198450 /nfs/dbraw/zinc/19/84/50/1050198450.db2.gz UBQAMYAXSFCXAD-KDURUIRLSA-N 1 2 366.513 2.960 20 30 FFEDLO Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCc2c(CC#N)cccc2C1 ZINC001341707837 1050327437 /nfs/dbraw/zinc/32/74/37/1050327437.db2.gz DTAPBFGMDOYUTR-SFHVURJKSA-N 1 2 350.470 2.601 20 30 FFEDLO Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCc2c(CC#N)cccc2C1 ZINC001341707837 1050327449 /nfs/dbraw/zinc/32/74/49/1050327449.db2.gz DTAPBFGMDOYUTR-SFHVURJKSA-N 1 2 350.470 2.601 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](CCC)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001341740075 1050357861 /nfs/dbraw/zinc/35/78/61/1050357861.db2.gz QZNUKLPIRMCMPU-ZWOKBUDYSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](CCC)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001341740075 1050357870 /nfs/dbraw/zinc/35/78/70/1050357870.db2.gz QZNUKLPIRMCMPU-ZWOKBUDYSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)CCOc1ccccc1 ZINC001341756342 1050372730 /nfs/dbraw/zinc/37/27/30/1050372730.db2.gz TVUROFAZIMPGIM-UHFFFAOYSA-N 1 2 366.469 2.694 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc(Cc3[nH+]ccn3Cc3ccccc3)n2CC)C1 ZINC001340049218 1050459910 /nfs/dbraw/zinc/45/99/10/1050459910.db2.gz SVKMUSBMIXRJKH-GOSISDBHSA-N 1 2 374.492 2.983 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(Cc1cccc(F)c1)C1CC1 ZINC001342062309 1050659859 /nfs/dbraw/zinc/65/98/59/1050659859.db2.gz SNVWYWUXBBLTIW-ROUUACIJSA-N 1 2 371.460 2.510 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(Cc1cccc(F)c1)C1CC1 ZINC001342062309 1050659864 /nfs/dbraw/zinc/65/98/64/1050659864.db2.gz SNVWYWUXBBLTIW-ROUUACIJSA-N 1 2 371.460 2.510 20 30 FFEDLO C=CCn1c(-c2nc[nH]c2C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001342070479 1050667447 /nfs/dbraw/zinc/66/74/47/1050667447.db2.gz CRUABHUARLVFDL-UHFFFAOYSA-N 1 2 364.457 2.639 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001340449732 1050842669 /nfs/dbraw/zinc/84/26/69/1050842669.db2.gz LKLPIPVSFPJKGD-OALUTQOASA-N 1 2 373.545 2.685 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCc2cc(C)ccc21 ZINC001340449056 1050843152 /nfs/dbraw/zinc/84/31/52/1050843152.db2.gz IOFBNPGRYKRCDO-UHFFFAOYSA-N 1 2 367.497 2.671 20 30 FFEDLO C=CCO[C@@H]1CCN(c2nnc(CC)n2CCc2cn3ccccc3[nH+]2)C1 ZINC001301557596 1050922786 /nfs/dbraw/zinc/92/27/86/1050922786.db2.gz VMHPIGHLKKWTBQ-QGZVFWFLSA-N 1 2 366.469 2.512 20 30 FFEDLO C#CC1CCN(c2nnc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)n2CC(=C)C)CC1 ZINC001342344260 1050939186 /nfs/dbraw/zinc/93/91/86/1050939186.db2.gz NFOIFEKRHHIXOA-MOPGFXCFSA-N 1 2 369.513 2.630 20 30 FFEDLO C#CC1CCN(c2nnc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)n2CC(=C)C)CC1 ZINC001342344260 1050939194 /nfs/dbraw/zinc/93/91/94/1050939194.db2.gz NFOIFEKRHHIXOA-MOPGFXCFSA-N 1 2 369.513 2.630 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc([C@@]2(C)C[C@@H](O)C[N@H+]2C)n1CC=C ZINC001342386226 1050980370 /nfs/dbraw/zinc/98/03/70/1050980370.db2.gz TXPUPERZYXMYRC-DNVCBOLYSA-N 1 2 373.526 2.630 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc([C@@]2(C)C[C@@H](O)C[N@@H+]2C)n1CC=C ZINC001342386226 1050980377 /nfs/dbraw/zinc/98/03/77/1050980377.db2.gz TXPUPERZYXMYRC-DNVCBOLYSA-N 1 2 373.526 2.630 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC001342459628 1051057179 /nfs/dbraw/zinc/05/71/79/1051057179.db2.gz KZNZPSRLQJYINY-KURKYZTESA-N 1 2 374.533 2.990 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC001342459628 1051057191 /nfs/dbraw/zinc/05/71/91/1051057191.db2.gz KZNZPSRLQJYINY-KURKYZTESA-N 1 2 374.533 2.990 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1Nc1cnn(C2CCC2)c1 ZINC001342543031 1051145797 /nfs/dbraw/zinc/14/57/97/1051145797.db2.gz UXULHLOATZCHCT-UHFFFAOYSA-N 1 2 352.446 2.844 20 30 FFEDLO C[C@@H](CC#N)N(C)c1nnc(C2CCC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303635334 1051410390 /nfs/dbraw/zinc/41/03/90/1051410390.db2.gz DUICLJAWGWFYEN-AWEZNQCLSA-N 1 2 353.474 2.793 20 30 FFEDLO N#C[C@@]1(F)CCN(c2nnc(C[NH+]3CCCCC3)n2Cc2ccccc2)C1 ZINC001341164907 1051518905 /nfs/dbraw/zinc/51/89/05/1051518905.db2.gz NUMOBJCDFRIXHX-FQEVSTJZSA-N 1 2 368.460 2.754 20 30 FFEDLO CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1cccc(C#N)c1 ZINC001341334390 1051688964 /nfs/dbraw/zinc/68/89/64/1051688964.db2.gz VCUPCFOHMYKGIK-GOSISDBHSA-N 1 2 368.485 2.588 20 30 FFEDLO CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1cccc(C#N)c1 ZINC001341334390 1051688968 /nfs/dbraw/zinc/68/89/68/1051688968.db2.gz VCUPCFOHMYKGIK-GOSISDBHSA-N 1 2 368.485 2.588 20 30 FFEDLO N#CC1CCN(c2nnc(C[NH+]3CCCC3)n2Cc2cccs2)CC1 ZINC001344902010 1052115423 /nfs/dbraw/zinc/11/54/23/1052115423.db2.gz XPTFTJSFBVBBHF-UHFFFAOYSA-N 1 2 356.499 2.724 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2cccc(F)c2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001343287653 1052136627 /nfs/dbraw/zinc/13/66/27/1052136627.db2.gz KNFDUHMLWQUYQB-YLJYHZDGSA-N 1 2 373.476 2.541 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2cccc(F)c2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001343287653 1052136632 /nfs/dbraw/zinc/13/66/32/1052136632.db2.gz KNFDUHMLWQUYQB-YLJYHZDGSA-N 1 2 373.476 2.541 20 30 FFEDLO C[C@@H](C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1)c1ccco1 ZINC001344935365 1052144276 /nfs/dbraw/zinc/14/42/76/1052144276.db2.gz FGIHOAZRHCGQFW-OAHLLOKOSA-N 1 2 359.447 2.872 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCc2cc(F)ccc2C1 ZINC001343419203 1052219734 /nfs/dbraw/zinc/21/97/34/1052219734.db2.gz JNXFAKRIMAREAZ-UHFFFAOYSA-N 1 2 366.444 2.880 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)C[C@@](C)(O)c1ccccc1 ZINC001343456895 1052243781 /nfs/dbraw/zinc/24/37/81/1052243781.db2.gz KQKNGQFPCHUNDW-GHTZIAJQSA-N 1 2 369.513 2.965 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)C[C@@](C)(O)c1ccccc1 ZINC001343456895 1052243787 /nfs/dbraw/zinc/24/37/87/1052243787.db2.gz KQKNGQFPCHUNDW-GHTZIAJQSA-N 1 2 369.513 2.965 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)n2CC(C)C)C1 ZINC001343469557 1052251082 /nfs/dbraw/zinc/25/10/82/1052251082.db2.gz OIRQQLWGFGBTID-CEXWTWQISA-N 1 2 371.529 2.710 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@H]3C[N@H+]4CCCC[C@H]4CO3)n2CC(C)C)C1 ZINC001343469557 1052251089 /nfs/dbraw/zinc/25/10/89/1052251089.db2.gz OIRQQLWGFGBTID-CEXWTWQISA-N 1 2 371.529 2.710 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@@H](c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2CC2)C1 ZINC001345100300 1052257017 /nfs/dbraw/zinc/25/70/17/1052257017.db2.gz UVSVBXLTWODFEZ-YLJYHZDGSA-N 1 2 372.517 2.600 20 30 FFEDLO CC(C)[N@H+]1CCO[C@@H](c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2CC2)C1 ZINC001345100300 1052257023 /nfs/dbraw/zinc/25/70/23/1052257023.db2.gz UVSVBXLTWODFEZ-YLJYHZDGSA-N 1 2 372.517 2.600 20 30 FFEDLO N#C[C@@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2Cc2cccs2)C1 ZINC001343488873 1052263461 /nfs/dbraw/zinc/26/34/61/1052263461.db2.gz VBNFBUSPQUGHMQ-HNNXBMFYSA-N 1 2 356.499 2.724 20 30 FFEDLO C[N@@H+]1CCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccs1 ZINC001343559731 1052307205 /nfs/dbraw/zinc/30/72/05/1052307205.db2.gz USCGAYUBYLOTKY-WMLDXEAASA-N 1 2 360.462 2.597 20 30 FFEDLO C[N@H+]1CCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccs1 ZINC001343559731 1052307209 /nfs/dbraw/zinc/30/72/09/1052307209.db2.gz USCGAYUBYLOTKY-WMLDXEAASA-N 1 2 360.462 2.597 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[C@H]2C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001343639787 1052350456 /nfs/dbraw/zinc/35/04/56/1052350456.db2.gz UCRKZIKEDYQTEG-PBHICJAKSA-N 1 2 356.474 2.596 20 30 FFEDLO COC[C@@]1(C(=O)OC(C)(C)C)C[N@H+](CCC2(C#N)CCCCC2)CCO1 ZINC001307966926 1052372498 /nfs/dbraw/zinc/37/24/98/1052372498.db2.gz FLOOJEZMCKHGJB-HXUWFJFHSA-N 1 2 366.502 2.910 20 30 FFEDLO COC[C@@]1(C(=O)OC(C)(C)C)C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC001307966926 1052372500 /nfs/dbraw/zinc/37/25/00/1052372500.db2.gz FLOOJEZMCKHGJB-HXUWFJFHSA-N 1 2 366.502 2.910 20 30 FFEDLO C[C@@H](C#N)CN(C)c1nnc(C[NH+]2CCCCC2)n1Cc1ccccc1 ZINC001343715266 1052385838 /nfs/dbraw/zinc/38/58/38/1052385838.db2.gz VFOQPMRWBPTWQO-KRWDZBQOSA-N 1 2 352.486 2.908 20 30 FFEDLO CCOCCCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](CC#N)C1 ZINC001343861297 1052457189 /nfs/dbraw/zinc/45/71/89/1052457189.db2.gz FNYIYTANJBGHPA-ZWKOTPCHSA-N 1 2 374.533 2.992 20 30 FFEDLO CCOCCCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](CC#N)C1 ZINC001343861297 1052457192 /nfs/dbraw/zinc/45/71/92/1052457192.db2.gz FNYIYTANJBGHPA-ZWKOTPCHSA-N 1 2 374.533 2.992 20 30 FFEDLO C[C@H](CCC#N)C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001308620089 1052477450 /nfs/dbraw/zinc/47/74/50/1052477450.db2.gz RTCPYXSUUUVPTC-CYBMUJFWSA-N 1 2 373.881 2.725 20 30 FFEDLO C[N@@H+]1CCC[C@H]1c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1 ZINC001344068995 1052577739 /nfs/dbraw/zinc/57/77/39/1052577739.db2.gz QLPPXDKLVRCDCA-SFHVURJKSA-N 1 2 350.470 2.833 20 30 FFEDLO C[N@H+]1CCC[C@H]1c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1 ZINC001344068995 1052577746 /nfs/dbraw/zinc/57/77/46/1052577746.db2.gz QLPPXDKLVRCDCA-SFHVURJKSA-N 1 2 350.470 2.833 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)C1(F)CCCC1 ZINC001345982309 1052694924 /nfs/dbraw/zinc/69/49/24/1052694924.db2.gz QFFBHTBSVYEZTQ-UHFFFAOYSA-N 1 2 351.443 2.757 20 30 FFEDLO CN(Cc1cccc(C#N)c1)c1nnc(C[NH+]2CCCC2)n1CC1CC1 ZINC001346108212 1052751287 /nfs/dbraw/zinc/75/12/87/1052751287.db2.gz YKWZQWMPBIAPDZ-UHFFFAOYSA-N 1 2 350.470 2.792 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2CCCC[N@H+]2C)n1C[C@@H]1CCCO1 ZINC001344728654 1052905920 /nfs/dbraw/zinc/90/59/20/1052905920.db2.gz CCBNKBBZIOGZQI-SQNIBIBYSA-N 1 2 357.502 2.606 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2CCCC[N@@H+]2C)n1C[C@@H]1CCCO1 ZINC001344728654 1052905922 /nfs/dbraw/zinc/90/59/22/1052905922.db2.gz CCBNKBBZIOGZQI-SQNIBIBYSA-N 1 2 357.502 2.606 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3CCC[N@H+]3C)n2Cc2cc(C)on2)C1 ZINC001346621370 1053163317 /nfs/dbraw/zinc/16/33/17/1053163317.db2.gz UZHBZFKBUYNBNC-AEFFLSMTSA-N 1 2 368.485 2.629 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2Cc2cc(C)on2)C1 ZINC001346621370 1053163320 /nfs/dbraw/zinc/16/33/20/1053163320.db2.gz UZHBZFKBUYNBNC-AEFFLSMTSA-N 1 2 368.485 2.629 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CC2CC1(C)C2 ZINC001346647358 1053182966 /nfs/dbraw/zinc/18/29/66/1053182966.db2.gz RSFYPPNSGXWJSC-ASPXRTSYSA-N 1 2 357.502 2.769 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CC2CC1(C)C2 ZINC001346647358 1053182969 /nfs/dbraw/zinc/18/29/69/1053182969.db2.gz RSFYPPNSGXWJSC-ASPXRTSYSA-N 1 2 357.502 2.769 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C2CCC1(CO)CC2 ZINC001335128586 1053226836 /nfs/dbraw/zinc/22/68/36/1053226836.db2.gz AFZXDJURGNLKHA-XVTSOASTSA-N 1 2 359.495 2.866 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C2CCC1(CO)CC2 ZINC001335128586 1053226845 /nfs/dbraw/zinc/22/68/45/1053226845.db2.gz AFZXDJURGNLKHA-XVTSOASTSA-N 1 2 359.495 2.866 20 30 FFEDLO C#CC[N@@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)CC1CC1 ZINC001335567246 1053440693 /nfs/dbraw/zinc/44/06/93/1053440693.db2.gz OIVYHIUSTOCTQT-UHFFFAOYSA-N 1 2 351.450 2.630 20 30 FFEDLO C#CC[N@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)CC1CC1 ZINC001335567246 1053440696 /nfs/dbraw/zinc/44/06/96/1053440696.db2.gz OIVYHIUSTOCTQT-UHFFFAOYSA-N 1 2 351.450 2.630 20 30 FFEDLO Cc1cc(Cn2c([C@H]3CCC[N@H+]3C)nnc2N2CCC[C@H](CC#N)C2)no1 ZINC001348278334 1054598720 /nfs/dbraw/zinc/59/87/20/1054598720.db2.gz WWDIBXOARFNZHZ-NVXWUHKLSA-N 1 2 369.473 2.520 20 30 FFEDLO Cc1cc(Cn2c([C@H]3CCC[N@@H+]3C)nnc2N2CCC[C@H](CC#N)C2)no1 ZINC001348278334 1054598731 /nfs/dbraw/zinc/59/87/31/1054598731.db2.gz WWDIBXOARFNZHZ-NVXWUHKLSA-N 1 2 369.473 2.520 20 30 FFEDLO CCN(c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@@H]1CCOC1)C(C)C ZINC001349283325 1055172996 /nfs/dbraw/zinc/17/29/96/1055172996.db2.gz XWSOORMHOIJQEX-KRWDZBQOSA-N 1 2 374.533 2.642 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1ccns1 ZINC001356083264 1055274893 /nfs/dbraw/zinc/27/48/93/1055274893.db2.gz WNKLFPCGKUVCMK-UHFFFAOYSA-N 1 2 371.514 2.650 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCc2c(O)cccc2C1 ZINC001356209679 1055386830 /nfs/dbraw/zinc/38/68/30/1055386830.db2.gz AKNPCNIMMJHPDR-KRWDZBQOSA-N 1 2 353.470 2.889 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCc2c(O)cccc2C1 ZINC001356209679 1055386843 /nfs/dbraw/zinc/38/68/43/1055386843.db2.gz AKNPCNIMMJHPDR-KRWDZBQOSA-N 1 2 353.470 2.889 20 30 FFEDLO C=C(C)Cn1c([C@@H](O)/C=C\CC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001356240238 1055413305 /nfs/dbraw/zinc/41/33/05/1055413305.db2.gz XBXXAMQWRIYYCV-AFCDSYGPSA-N 1 2 368.485 2.575 20 30 FFEDLO C=CCn1c(C2CC2)nn(C[N@H+]2C[C@@H]3CCC[C@]3(C(=O)OC)C2)c1=S ZINC001349940023 1055548041 /nfs/dbraw/zinc/54/80/41/1055548041.db2.gz YCPFENCOJPVHJY-KSSFIOAISA-N 1 2 362.499 2.710 20 30 FFEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2C[C@@H]3CCC[C@]3(C(=O)OC)C2)c1=S ZINC001349940023 1055548044 /nfs/dbraw/zinc/54/80/44/1055548044.db2.gz YCPFENCOJPVHJY-KSSFIOAISA-N 1 2 362.499 2.710 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001357152674 1055797247 /nfs/dbraw/zinc/79/72/47/1055797247.db2.gz QGEWUUOLTHGHAO-MSOLQXFVSA-N 1 2 359.518 2.872 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001357152674 1055797257 /nfs/dbraw/zinc/79/72/57/1055797257.db2.gz QGEWUUOLTHGHAO-MSOLQXFVSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001350574601 1055841373 /nfs/dbraw/zinc/84/13/73/1055841373.db2.gz XZQNUSXSNUNFAZ-WMZOPIPTSA-N 1 2 368.481 2.681 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@](C)(CC)C1 ZINC001338835088 1055858215 /nfs/dbraw/zinc/85/82/15/1055858215.db2.gz UPOUYWUELVAQOS-FQEVSTJZSA-N 1 2 361.534 2.685 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc([C@@H]2C[C@H](O)C[N@H+]2C)n1CC=C ZINC001338895744 1055913018 /nfs/dbraw/zinc/91/30/18/1055913018.db2.gz RCCSFHGOCJCLNT-WMZOPIPTSA-N 1 2 371.460 2.533 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc([C@@H]2C[C@H](O)C[N@@H+]2C)n1CC=C ZINC001338895744 1055913032 /nfs/dbraw/zinc/91/30/32/1055913032.db2.gz RCCSFHGOCJCLNT-WMZOPIPTSA-N 1 2 371.460 2.533 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2sc(-c3ccc(OC)cc3)nc2C)CC1 ZINC001544079210 1071592090 /nfs/dbraw/zinc/59/20/90/1071592090.db2.gz QNUKQPVRPFZFES-UHFFFAOYSA-N 1 2 369.490 2.908 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2sc(-c3ccc(OC)cc3)nc2C)CC1 ZINC001544079210 1071592100 /nfs/dbraw/zinc/59/21/00/1071592100.db2.gz QNUKQPVRPFZFES-UHFFFAOYSA-N 1 2 369.490 2.908 20 30 FFEDLO CC[C@H](C#N)N(CC)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC001339068075 1056063096 /nfs/dbraw/zinc/06/30/96/1056063096.db2.gz UJKXMBLSLFZDRY-QGZVFWFLSA-N 1 2 353.426 2.676 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC001339502961 1056521251 /nfs/dbraw/zinc/52/12/51/1056521251.db2.gz XFTUCKWTKJZGSK-IRXDYDNUSA-N 1 2 355.490 2.520 20 30 FFEDLO C#CCCCCn1c(C(C)C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001300339344 1056529159 /nfs/dbraw/zinc/52/91/59/1056529159.db2.gz MMECZXAHWSLEBE-UHFFFAOYSA-N 1 2 370.501 2.824 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@H](C)c2ccccc21 ZINC001339606892 1056630680 /nfs/dbraw/zinc/63/06/80/1056630680.db2.gz OKAMUTNRRFCTCY-INIZCTEOSA-N 1 2 367.497 2.924 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CCCOC2CCCC2)CC1 ZINC001359029143 1056665482 /nfs/dbraw/zinc/66/54/82/1056665482.db2.gz PRFJUXMYFIXBAH-UHFFFAOYSA-N 1 2 373.545 2.680 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCC2(C)C)CC1 ZINC001359039490 1056670393 /nfs/dbraw/zinc/67/03/93/1056670393.db2.gz LHZFJCPPMRZKTA-QZTJIDSGSA-N 1 2 371.529 2.711 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001514388648 1058903751 /nfs/dbraw/zinc/90/37/51/1058903751.db2.gz ZOXIMPZUJJNJEF-GVDBMIGSSA-N 1 2 360.502 2.980 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC1CC1 ZINC001519670699 1058938416 /nfs/dbraw/zinc/93/84/16/1058938416.db2.gz XDAQPIMMRGYDNX-CEXWTWQISA-N 1 2 369.513 2.606 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC1CC1 ZINC001519670699 1058938434 /nfs/dbraw/zinc/93/84/34/1058938434.db2.gz XDAQPIMMRGYDNX-CEXWTWQISA-N 1 2 369.513 2.606 20 30 FFEDLO N#Cc1ccc([C@H](O)C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cc1 ZINC001450155793 1058983952 /nfs/dbraw/zinc/98/39/52/1058983952.db2.gz RJGYBWHKIUQRBO-SFHVURJKSA-N 1 2 366.808 2.747 20 30 FFEDLO CN(c1nnc(C[NH+]2CCCC2)n1C[C@@H]1CCCCO1)[C@H]1CCC[C@H]1C#N ZINC001519839359 1059120170 /nfs/dbraw/zinc/12/01/70/1059120170.db2.gz DIWPHFDGVQTXIU-BZSNNMDCSA-N 1 2 372.517 2.571 20 30 FFEDLO Cc1cc2c(NC(=O)c3cc(-n4cc[nH+]c4)ccc3O)n[nH]c2cc1C#N ZINC001452834354 1059307221 /nfs/dbraw/zinc/30/72/21/1059307221.db2.gz FPNUXGRVXOIXBQ-UHFFFAOYSA-N 1 2 358.361 2.887 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C2CC2)CC1 ZINC001300683954 1059322500 /nfs/dbraw/zinc/32/25/00/1059322500.db2.gz UWUJQWVXESYKBC-HNNXBMFYSA-N 1 2 369.444 2.647 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CC[C@@H](F)C2)CC1 ZINC001300692246 1059362256 /nfs/dbraw/zinc/36/22/56/1059362256.db2.gz APTSSWKTSCXAJE-PKOBYXMFSA-N 1 2 367.472 2.839 20 30 FFEDLO C=CCN(C)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1Cc1cccs1 ZINC001515218417 1059438794 /nfs/dbraw/zinc/43/87/94/1059438794.db2.gz UUWCDVKWCJIAKI-MRXNPFEDSA-N 1 2 361.515 2.792 20 30 FFEDLO C=CCN(C)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1Cc1cccs1 ZINC001515218417 1059438802 /nfs/dbraw/zinc/43/88/02/1059438802.db2.gz UUWCDVKWCJIAKI-MRXNPFEDSA-N 1 2 361.515 2.792 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCCC(F)(F)C1 ZINC001520243821 1059528958 /nfs/dbraw/zinc/52/89/58/1059528958.db2.gz DDZHNVFEWWHTEW-CABCVRRESA-N 1 2 367.444 2.625 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCCC(F)(F)C1 ZINC001520243821 1059528983 /nfs/dbraw/zinc/52/89/83/1059528983.db2.gz DDZHNVFEWWHTEW-CABCVRRESA-N 1 2 367.444 2.625 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001515309277 1059532436 /nfs/dbraw/zinc/53/24/36/1059532436.db2.gz JKWDXULFRIQCPV-KURKYZTESA-N 1 2 360.502 2.934 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC(OC(C)C)CC3)n2CC=C)CC1 ZINC001520252246 1059536401 /nfs/dbraw/zinc/53/64/01/1059536401.db2.gz IRUFVFJBKOBHTE-UHFFFAOYSA-N 1 2 371.529 2.671 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001520361460 1059638139 /nfs/dbraw/zinc/63/81/39/1059638139.db2.gz UEZBWSPXELHNHP-QGZVFWFLSA-N 1 2 361.534 2.541 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CC[C@@H](F)C2)CC1 ZINC001507720801 1059700239 /nfs/dbraw/zinc/70/02/39/1059700239.db2.gz MVMOCVMUJOPBJZ-DLBZAZTESA-N 1 2 371.460 2.740 20 30 FFEDLO C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1C[C@H](C)[NH+]1CCOCC1 ZINC001507762243 1059709302 /nfs/dbraw/zinc/70/93/02/1059709302.db2.gz SAFFPEJZENFVCR-FUHIMQAGSA-N 1 2 359.518 2.504 20 30 FFEDLO C=CC(C)(C)Cc1nnc(N2CC[NH+](Cc3ccccn3)CC2)n1CC ZINC001520718058 1059995883 /nfs/dbraw/zinc/99/58/83/1059995883.db2.gz YOHZHHAXYRWJHB-UHFFFAOYSA-N 1 2 354.502 2.770 20 30 FFEDLO C#CC[C@]1(C(=O)Nc2cc(C)[nH+]cc2C)CCCN1C(=O)OC(C)(C)C ZINC001520768007 1060054303 /nfs/dbraw/zinc/05/43/03/1060054303.db2.gz FZWMEOGUINLESS-HXUWFJFHSA-N 1 2 357.454 2.852 20 30 FFEDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)[C@H](O)c2ccc(C#N)cc2)C1 ZINC001520905870 1060190157 /nfs/dbraw/zinc/19/01/57/1060190157.db2.gz KFWHPISPQVZMHH-PKOBYXMFSA-N 1 2 366.465 2.949 20 30 FFEDLO C=CCCCC(=O)N[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@@H]1C ZINC001521041736 1060331409 /nfs/dbraw/zinc/33/14/09/1060331409.db2.gz UJKMROSFUCVUKH-SQNIBIBYSA-N 1 2 360.502 2.932 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@H]12 ZINC001511337020 1060331941 /nfs/dbraw/zinc/33/19/41/1060331941.db2.gz ZPLIPYASTMQTBK-KALAIVBUSA-N 1 2 370.497 2.520 20 30 FFEDLO CCn1c(-c2ccnc(C#N)c2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001521059467 1060346838 /nfs/dbraw/zinc/34/68/38/1060346838.db2.gz YYGBRTOCABDJLN-UHFFFAOYSA-N 1 2 374.452 2.708 20 30 FFEDLO C[C@H]1CN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)C[C@H]1C ZINC001521170352 1060446457 /nfs/dbraw/zinc/44/64/57/1060446457.db2.gz CLXVJZUQLQLKHD-IYBDPMFKSA-N 1 2 356.518 2.873 20 30 FFEDLO CC(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1cc(C#N)cs1 ZINC001517493858 1060525303 /nfs/dbraw/zinc/52/53/03/1060525303.db2.gz HGELUWGOWMQIER-UHFFFAOYSA-N 1 2 369.498 2.828 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc(C[NH+]2CCCC2)n1CCOC ZINC001355759532 1060568024 /nfs/dbraw/zinc/56/80/24/1060568024.db2.gz BIKKUSLBHXXIMQ-UHFFFAOYSA-N 1 2 373.476 2.852 20 30 FFEDLO C=C(C)Cn1c(N(CCC#N)CCC(C)C)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001355958836 1060764143 /nfs/dbraw/zinc/76/41/43/1060764143.db2.gz UOTNXJCWVQMMTJ-FXAWDEMLSA-N 1 2 374.533 2.532 20 30 FFEDLO C=C(C)Cn1c(N(CCC#N)CCC(C)C)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001355958836 1060764160 /nfs/dbraw/zinc/76/41/60/1060764160.db2.gz UOTNXJCWVQMMTJ-FXAWDEMLSA-N 1 2 374.533 2.532 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 ZINC001355976604 1060776098 /nfs/dbraw/zinc/77/60/98/1060776098.db2.gz MZFLMNASRAFTHD-IAGOWNOFSA-N 1 2 372.517 2.820 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCc2ccsc2C1 ZINC001355977234 1060777700 /nfs/dbraw/zinc/77/77/00/1060777700.db2.gz QEGIBXUQKRDMRD-UHFFFAOYSA-N 1 2 354.483 2.803 20 30 FFEDLO N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)n2)c(Cl)c1 ZINC000543005322 1061005499 /nfs/dbraw/zinc/00/54/99/1061005499.db2.gz MVZJOEMQAVULDR-CYBMUJFWSA-N 1 2 366.812 2.795 20 30 FFEDLO N#CCCn1ccc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000543038165 1061008480 /nfs/dbraw/zinc/00/84/80/1061008480.db2.gz PQGWBGGZHKQMGU-UHFFFAOYSA-N 1 2 355.446 2.718 20 30 FFEDLO O=C(/C=C/c1ccco1)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001526993650 1061351633 /nfs/dbraw/zinc/35/16/33/1061351633.db2.gz VRQFHEKEWHIBHM-AATRIKPKSA-N 1 2 357.431 2.781 20 30 FFEDLO C=CC1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001522181808 1061681134 /nfs/dbraw/zinc/68/11/34/1061681134.db2.gz OSMHHKHOSOLZNQ-SQNIBIBYSA-N 1 2 370.497 2.727 20 30 FFEDLO C=C(C)Cn1c(N(CC2CC2)C2CCC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001523780124 1062620164 /nfs/dbraw/zinc/62/01/64/1062620164.db2.gz YFJSETHUCLQBNE-YLJYHZDGSA-N 1 2 359.518 2.535 20 30 FFEDLO C=C(C)Cn1c(N(CC2CC2)C2CCC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001523780124 1062620170 /nfs/dbraw/zinc/62/01/70/1062620170.db2.gz YFJSETHUCLQBNE-YLJYHZDGSA-N 1 2 359.518 2.535 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@H+](Cc2cnc(Cl)s2)[C@@H]1CC ZINC001479634213 1062666540 /nfs/dbraw/zinc/66/65/40/1062666540.db2.gz XYPUNQHIPYXCHP-WOSRLPQWSA-N 1 2 357.907 2.593 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@@H+](Cc2cnc(Cl)s2)[C@@H]1CC ZINC001479634213 1062666550 /nfs/dbraw/zinc/66/65/50/1062666550.db2.gz XYPUNQHIPYXCHP-WOSRLPQWSA-N 1 2 357.907 2.593 20 30 FFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC001464560487 1062685262 /nfs/dbraw/zinc/68/52/62/1062685262.db2.gz LYNIIZYRQSULEL-WOJBJXKFSA-N 1 2 355.482 2.962 20 30 FFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC001464560487 1062685274 /nfs/dbraw/zinc/68/52/74/1062685274.db2.gz LYNIIZYRQSULEL-WOJBJXKFSA-N 1 2 355.482 2.962 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[N@H+](Cc3nc(CCC)no3)CC[C@@H]2C1 ZINC001479671128 1062780426 /nfs/dbraw/zinc/78/04/26/1062780426.db2.gz YLESEKNQKLWRLS-ZACQAIPSSA-N 1 2 360.502 2.905 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[N@@H+](Cc3nc(CCC)no3)CC[C@@H]2C1 ZINC001479671128 1062780443 /nfs/dbraw/zinc/78/04/43/1062780443.db2.gz YLESEKNQKLWRLS-ZACQAIPSSA-N 1 2 360.502 2.905 20 30 FFEDLO CCc1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001546408929 1062784486 /nfs/dbraw/zinc/78/44/86/1062784486.db2.gz SMHLILUNFCYAKW-HNNXBMFYSA-N 1 2 353.474 2.622 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2)[C@@H]1C ZINC001479701933 1062827316 /nfs/dbraw/zinc/82/73/16/1062827316.db2.gz RFBZBKWNYHEUFR-RWSFTLGLSA-N 1 2 368.250 2.827 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2)[C@@H]1C ZINC001479701933 1062827296 /nfs/dbraw/zinc/82/72/96/1062827296.db2.gz RFBZBKWNYHEUFR-RWSFTLGLSA-N 1 2 368.250 2.827 20 30 FFEDLO CCc1ccc([C@H]2CN(S(=O)(=O)c3cccc(F)c3C#N)CC[NH2+]2)cc1 ZINC001464884245 1062894141 /nfs/dbraw/zinc/89/41/41/1062894141.db2.gz QUUVDPJVFWFZCQ-GOSISDBHSA-N 1 2 373.453 2.595 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001495372305 1063484874 /nfs/dbraw/zinc/48/48/74/1063484874.db2.gz ZHBYAXDAYGIQEF-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001495372305 1063484891 /nfs/dbraw/zinc/48/48/91/1063484891.db2.gz ZHBYAXDAYGIQEF-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO C#CCOc1ccc(C(=O)N2CC[NH+](Cc3cccc(OC)c3)CC2)cc1 ZINC001534175476 1063515253 /nfs/dbraw/zinc/51/52/53/1063515253.db2.gz WOKPAFYSLAENRT-UHFFFAOYSA-N 1 2 364.445 2.665 20 30 FFEDLO Cc1cc(C)c(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c(C)[nH+]1 ZINC001471225669 1064604394 /nfs/dbraw/zinc/60/43/94/1064604394.db2.gz AOJJTVHUKGPTMA-UHFFFAOYSA-N 1 2 352.413 2.980 20 30 FFEDLO C=C[C@@H](C(=O)NCC1([NH2+]Cc2c[nH]nn2)CCCCC1)c1ccccc1 ZINC001575062681 1078102235 /nfs/dbraw/zinc/10/22/35/1078102235.db2.gz USRVIDIYYHESBN-GOSISDBHSA-N 1 2 353.470 2.683 20 30 FFEDLO C=C[C@@H](C(=O)NCC1([NH2+]Cc2cn[nH]n2)CCCCC1)c1ccccc1 ZINC001575062681 1078102237 /nfs/dbraw/zinc/10/22/37/1078102237.db2.gz USRVIDIYYHESBN-GOSISDBHSA-N 1 2 353.470 2.683 20 30 FFEDLO C=CCC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)Cc2ccccc2F)CC1 ZINC001575097927 1078106645 /nfs/dbraw/zinc/10/66/45/1078106645.db2.gz WDUPUMBQJZJJET-UHFFFAOYSA-N 1 2 371.460 2.556 20 30 FFEDLO C=CCCC[C@H](C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC)c1ccccc1 ZINC001472085933 1064925926 /nfs/dbraw/zinc/92/59/26/1064925926.db2.gz FHBFFFNIROXTSO-ZWKOTPCHSA-N 1 2 355.438 2.750 20 30 FFEDLO C=CCCC[C@H](C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC)c1ccccc1 ZINC001472085933 1064925936 /nfs/dbraw/zinc/92/59/36/1064925936.db2.gz FHBFFFNIROXTSO-ZWKOTPCHSA-N 1 2 355.438 2.750 20 30 FFEDLO C[C@@H]([NH2+]Cc1ccccc1C#N)[C@H](C)NC(=O)c1ccc(-c2cn[nH]n2)cc1 ZINC001575695666 1078165200 /nfs/dbraw/zinc/16/52/00/1078165200.db2.gz GKXIKGLRMFGMCX-CABCVRRESA-N 1 2 374.448 2.640 20 30 FFEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC001578477017 1078478762 /nfs/dbraw/zinc/47/87/62/1078478762.db2.gz GXTNEIYPQLPDRX-GOSISDBHSA-N 1 2 359.376 2.511 20 30 FFEDLO CN(C)c1ccc(C#N)cc1C[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC001560722647 1076294591 /nfs/dbraw/zinc/29/45/91/1076294591.db2.gz NWKSGGQKHXWRPL-UHFFFAOYSA-N 1 2 374.492 2.590 20 30 FFEDLO CCc1ccc([C@@H]2CN(S(=O)(=O)Cc3ccc(C#N)cc3)CC[NH2+]2)cc1 ZINC001562037785 1076471916 /nfs/dbraw/zinc/47/19/16/1076471916.db2.gz QPPPCSMJMUZQBR-FQEVSTJZSA-N 1 2 369.490 2.597 20 30 FFEDLO C=CCCC(C)(C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC001565143572 1076689913 /nfs/dbraw/zinc/68/99/13/1076689913.db2.gz OHJHOJYXQGSIGF-LJQANCHMSA-N 1 2 358.530 2.847 20 30 FFEDLO C=CCCC(C)(C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC001565143572 1076689914 /nfs/dbraw/zinc/68/99/14/1076689914.db2.gz OHJHOJYXQGSIGF-LJQANCHMSA-N 1 2 358.530 2.847 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@H+](Cc2csc(CC)n2)[C@@H]1CC ZINC001566011670 1076846040 /nfs/dbraw/zinc/84/60/40/1076846040.db2.gz BIQPHFQAOQZKTP-HDMKZQKVSA-N 1 2 351.516 2.502 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@@H+](Cc2csc(CC)n2)[C@@H]1CC ZINC001566011670 1076846045 /nfs/dbraw/zinc/84/60/45/1076846045.db2.gz BIQPHFQAOQZKTP-HDMKZQKVSA-N 1 2 351.516 2.502 20 30 FFEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2cccc(OC)c2)[C@@H]1C ZINC001566101749 1076905915 /nfs/dbraw/zinc/90/59/15/1076905915.db2.gz TWCRJXXYRCHTCN-QAPCUYQASA-N 1 2 359.470 2.569 20 30 FFEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2cccc(OC)c2)[C@@H]1C ZINC001566101749 1076905919 /nfs/dbraw/zinc/90/59/19/1076905919.db2.gz TWCRJXXYRCHTCN-QAPCUYQASA-N 1 2 359.470 2.569 20 30 FFEDLO COC[C@H](C)CC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001566108367 1076912562 /nfs/dbraw/zinc/91/25/62/1076912562.db2.gz VRLVLOBXVYIFGA-MDZRGWNJSA-N 1 2 362.901 2.943 20 30 FFEDLO COC[C@H](C)CC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001566108367 1076912564 /nfs/dbraw/zinc/91/25/64/1076912564.db2.gz VRLVLOBXVYIFGA-MDZRGWNJSA-N 1 2 362.901 2.943 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)[C@@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001567687577 1077044868 /nfs/dbraw/zinc/04/48/68/1077044868.db2.gz BDNHPOHRJQOZHE-ZACQAIPSSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001567687577 1077044874 /nfs/dbraw/zinc/04/48/74/1077044874.db2.gz BDNHPOHRJQOZHE-ZACQAIPSSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(CC(C)C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001570073960 1077180871 /nfs/dbraw/zinc/18/08/71/1077180871.db2.gz XVXNBLMBAILREV-QGZVFWFLSA-N 1 2 365.518 2.742 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001573088134 1077527222 /nfs/dbraw/zinc/52/72/22/1077527222.db2.gz ZIJFCQITUHQZQX-USXIJHARSA-N 1 2 360.502 2.734 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001573088134 1077527227 /nfs/dbraw/zinc/52/72/27/1077527227.db2.gz ZIJFCQITUHQZQX-USXIJHARSA-N 1 2 360.502 2.734 20 30 FFEDLO CCCCCCCC[C@@H](C)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001586248390 1079584286 /nfs/dbraw/zinc/58/42/86/1079584286.db2.gz LQLUHTBHUYQOMB-MOPGFXCFSA-N 1 2 354.535 2.933 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCCNc1cccc[nH+]1 ZINC001587632695 1079832192 /nfs/dbraw/zinc/83/21/92/1079832192.db2.gz OIIUUJXDDOXLEX-DLBZAZTESA-N 1 2 368.485 2.527 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C)n2CC2(Cc3ccc(F)cc3)CC2)CC1 ZINC001588752267 1080181323 /nfs/dbraw/zinc/18/13/23/1080181323.db2.gz QXPDXADDZQPEDH-UHFFFAOYSA-N 1 2 367.472 2.504 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CCSC(F)(F)F)CC1 ZINC001588812175 1080204868 /nfs/dbraw/zinc/20/48/68/1080204868.db2.gz QMXHIZSIXLHKOF-UHFFFAOYSA-N 1 2 373.448 2.554 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCCSC2)CC1 ZINC001588811438 1080204984 /nfs/dbraw/zinc/20/49/84/1080204984.db2.gz JDDNCQCVTGAPBM-QGZVFWFLSA-N 1 2 373.570 2.834 20 30 FFEDLO C#C[C@]1(C)CCCN1c1nnc(CC2CC2)n1Cc1c[nH+]ccc1OC ZINC001589228020 1080432193 /nfs/dbraw/zinc/43/21/93/1080432193.db2.gz HISQNRGZTMTYSZ-HXUWFJFHSA-N 1 2 351.454 2.675 20 30 FFEDLO N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000377091295 512119626 /nfs/dbraw/zinc/11/96/26/512119626.db2.gz UIAUEODTGHVLDJ-OAHLLOKOSA-N 1 2 367.428 2.570 20 30 FFEDLO N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000377091295 512119620 /nfs/dbraw/zinc/11/96/20/512119620.db2.gz UIAUEODTGHVLDJ-OAHLLOKOSA-N 1 2 367.428 2.570 20 30 FFEDLO CC(C)c1nc(C2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)no1 ZINC000366641776 512119769 /nfs/dbraw/zinc/11/97/69/512119769.db2.gz KEKGRURYXUPDBC-UHFFFAOYSA-N 1 2 367.453 2.560 20 30 FFEDLO CC(C)c1[nH+]c2c(n1C)CCN([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000106861055 250297105 /nfs/dbraw/zinc/29/71/05/250297105.db2.gz CBXYTWWPPFTPPQ-LJQANCHMSA-N 1 2 363.465 2.579 20 30 FFEDLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000275031097 255947947 /nfs/dbraw/zinc/94/79/47/255947947.db2.gz SKANVJDONUXJHQ-NSHDSACASA-N 1 2 372.416 2.617 20 30 FFEDLO CC(C)(C)n1nccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000276897960 256140866 /nfs/dbraw/zinc/14/08/66/256140866.db2.gz ZYZDPKJSWYWTAX-UHFFFAOYSA-N 1 2 366.469 2.859 20 30 FFEDLO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)COc1ccccc1C#N)CCCC2 ZINC000279106125 256382409 /nfs/dbraw/zinc/38/24/09/256382409.db2.gz BGKNPQQROKLOQF-GOSISDBHSA-N 1 2 364.449 2.913 20 30 FFEDLO N#Cc1c(N2CC[NH+](Cc3ccccn3)CC2)nc2cc(Cl)ccn12 ZINC000285955282 257013056 /nfs/dbraw/zinc/01/30/56/257013056.db2.gz AAGBOGXUDIAFIN-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO CC(=O)Nc1cccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)c1 ZINC000289476965 257283226 /nfs/dbraw/zinc/28/32/26/257283226.db2.gz NSVADNFTTQZVAG-UHFFFAOYSA-N 1 2 355.467 2.604 20 30 FFEDLO Cc1nc(NCc2cccc(OCC[NH+]3CCOCC3)c2)ccc1C#N ZINC000291578704 257411304 /nfs/dbraw/zinc/41/13/04/257411304.db2.gz FVOKEYDAUJWSPI-UHFFFAOYSA-N 1 2 352.438 2.585 20 30 FFEDLO N#Cc1ccc(C(F)(F)F)nc1N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000301252943 258037816 /nfs/dbraw/zinc/03/78/16/258037816.db2.gz CNMKUATYSPWHPK-AWEZNQCLSA-N 1 2 354.376 2.663 20 30 FFEDLO N#Cc1nc(NCc2cccc(OCC[NH+]3CCOCC3)c2)ccc1Cl ZINC000301377035 258046394 /nfs/dbraw/zinc/04/63/94/258046394.db2.gz RSSAMUZGEHDGAS-UHFFFAOYSA-N 1 2 372.856 2.930 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc([NH+]2CCC(C(N)=O)CC2)cc1 ZINC000299645424 258013261 /nfs/dbraw/zinc/01/32/61/258013261.db2.gz FGXXKUHVOXJBEL-UHFFFAOYSA-N 1 2 365.393 2.912 20 30 FFEDLO CC(C)(C)c1nc(CN2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)no1 ZINC000331194772 258179522 /nfs/dbraw/zinc/17/95/22/258179522.db2.gz YLOQIBAFEUAKMY-UHFFFAOYSA-N 1 2 357.433 2.696 20 30 FFEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(C#N)cc3OC(F)F)[C@H]2C1 ZINC000332249650 258221501 /nfs/dbraw/zinc/22/15/01/258221501.db2.gz XMDUDAIWSGQUFN-PMPSAXMXSA-N 1 2 352.381 2.928 20 30 FFEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(C#N)cc3OC(F)F)[C@H]2C1 ZINC000332249650 258221502 /nfs/dbraw/zinc/22/15/02/258221502.db2.gz XMDUDAIWSGQUFN-PMPSAXMXSA-N 1 2 352.381 2.928 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000332419709 258229819 /nfs/dbraw/zinc/22/98/19/258229819.db2.gz PRLSRSMXFWOWCG-UHFFFAOYSA-N 1 2 353.426 2.644 20 30 FFEDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000110306227 132246551 /nfs/dbraw/zinc/24/65/51/132246551.db2.gz XOWCFVSWDUWBPU-FUHWJXTLSA-N 1 2 372.488 2.999 20 30 FFEDLO COc1ccc(F)cc1C[NH+]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000032534404 506264448 /nfs/dbraw/zinc/26/44/48/506264448.db2.gz WCRICXJHZUQRAC-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000052905094 506275417 /nfs/dbraw/zinc/27/54/17/506275417.db2.gz AMPMHEHXCIFHDH-MRXNPFEDSA-N 1 2 366.440 2.842 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000032832835 506301705 /nfs/dbraw/zinc/30/17/05/506301705.db2.gz RQHDZLRZRCHPRN-LJQANCHMSA-N 1 2 362.905 2.512 20 30 FFEDLO Cc1cc(C)c(C#N)c(SCC(=O)N2CC[NH+](Cc3ccco3)CC2)n1 ZINC000053288846 506348840 /nfs/dbraw/zinc/34/88/40/506348840.db2.gz MAFOLELXSGDLMB-UHFFFAOYSA-N 1 2 370.478 2.600 20 30 FFEDLO C=CCc1ccc(OCC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c(OC)c1 ZINC000371046764 512193920 /nfs/dbraw/zinc/19/39/20/512193920.db2.gz ZOGHOTGEGSXXBU-MRXNPFEDSA-N 1 2 355.438 2.552 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000375235087 512224176 /nfs/dbraw/zinc/22/41/76/512224176.db2.gz WMDLAPJAEICPJU-ZDUSSCGKSA-N 1 2 357.376 2.730 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1C ZINC000373238341 512235525 /nfs/dbraw/zinc/23/55/25/512235525.db2.gz ZIFGPBNGUZSCSO-UHFFFAOYSA-N 1 2 371.441 2.915 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(Br)ccc2OC)C1=O ZINC000410312957 512237837 /nfs/dbraw/zinc/23/78/37/512237837.db2.gz ICEDYQCQLQEEOD-CQSZACIVSA-N 1 2 353.260 2.676 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(Br)ccc2OC)C1=O ZINC000410312957 512237841 /nfs/dbraw/zinc/23/78/41/512237841.db2.gz ICEDYQCQLQEEOD-CQSZACIVSA-N 1 2 353.260 2.676 20 30 FFEDLO C=CCN1CC[C@H]([NH+]2CCN([C@@H](CC)c3ccc(F)cc3F)CC2)C1=O ZINC000410379134 512249215 /nfs/dbraw/zinc/24/92/15/512249215.db2.gz FBTYURLXWJLAOE-OALUTQOASA-N 1 2 363.452 2.820 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3c(O)cc(F)cc3F)CC2)cc1 ZINC000066042835 506414433 /nfs/dbraw/zinc/41/44/33/506414433.db2.gz GIVFEVAKBRBGDM-UHFFFAOYSA-N 1 2 371.387 2.890 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3c(O)cc(F)cc3F)CC2)cc1 ZINC000066042835 506414440 /nfs/dbraw/zinc/41/44/40/506414440.db2.gz GIVFEVAKBRBGDM-UHFFFAOYSA-N 1 2 371.387 2.890 20 30 FFEDLO Cc1cc([C@@H](C#N)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nc(C)n1 ZINC000041574711 506531125 /nfs/dbraw/zinc/53/11/25/506531125.db2.gz ZUWUAVYBZPXWEL-CQSZACIVSA-N 1 2 362.349 2.677 20 30 FFEDLO C=CC[N@@H+](Cc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000066559544 506552285 /nfs/dbraw/zinc/55/22/85/506552285.db2.gz QFDCAWBOZFWLQU-AWEZNQCLSA-N 1 2 371.886 2.676 20 30 FFEDLO C=CC[N@H+](Cc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000066559544 506552294 /nfs/dbraw/zinc/55/22/94/506552294.db2.gz QFDCAWBOZFWLQU-AWEZNQCLSA-N 1 2 371.886 2.676 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066561041 506555683 /nfs/dbraw/zinc/55/56/83/506555683.db2.gz ANWUJLNTBWUZBW-CQSZACIVSA-N 1 2 363.401 2.803 20 30 FFEDLO C=CC[N@H+](Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066561041 506555688 /nfs/dbraw/zinc/55/56/88/506555688.db2.gz ANWUJLNTBWUZBW-CQSZACIVSA-N 1 2 363.401 2.803 20 30 FFEDLO N#Cc1cccc(NC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1 ZINC000043329801 506733364 /nfs/dbraw/zinc/73/33/64/506733364.db2.gz JCKPKXWSAPFIAE-UHFFFAOYSA-N 1 2 360.421 2.556 20 30 FFEDLO CCCc1nnc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000043557236 506758228 /nfs/dbraw/zinc/75/82/28/506758228.db2.gz WGLMSADWOXDCEK-UHFFFAOYSA-N 1 2 370.482 2.712 20 30 FFEDLO N#CCSCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000046025018 507064199 /nfs/dbraw/zinc/06/41/99/507064199.db2.gz ZRUJIXSVKIVWSE-UHFFFAOYSA-N 1 2 357.401 2.606 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+](CCCS(=O)(=O)c2ccccc2)CC1 ZINC000367057489 512318278 /nfs/dbraw/zinc/31/82/78/512318278.db2.gz KAZZPEORSYDRBR-UHFFFAOYSA-N 1 2 369.490 2.803 20 30 FFEDLO COC(=O)c1ccc2c(c1)nc(C[N@H+](C)Cc1ccc(C#N)cc1)[nH]c2=O ZINC000046526763 507149545 /nfs/dbraw/zinc/14/95/45/507149545.db2.gz NGSVRZMPJVHTBT-UHFFFAOYSA-N 1 2 362.389 2.626 20 30 FFEDLO COC(=O)c1ccc2c(c1)nc(C[N@@H+](C)Cc1ccc(C#N)cc1)[nH]c2=O ZINC000046526763 507149549 /nfs/dbraw/zinc/14/95/49/507149549.db2.gz NGSVRZMPJVHTBT-UHFFFAOYSA-N 1 2 362.389 2.626 20 30 FFEDLO Cc1cccc2[nH+]c(CNS(=O)(=O)c3ccc(Cl)c(C#N)c3)cn21 ZINC000068944126 507366570 /nfs/dbraw/zinc/36/65/70/507366570.db2.gz OAJUSGQMLZXTPW-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO N#Cc1ccc(N2CCN(Cc3[nH+]ccn3Cc3ccccc3)CC2)nc1 ZINC000060480622 507550189 /nfs/dbraw/zinc/55/01/89/507550189.db2.gz GGTLUPCTFPDFEY-UHFFFAOYSA-N 1 2 358.449 2.520 20 30 FFEDLO N#Cc1cccc([C@@H]2CN(C(=O)NCCCNc3cccc[nH+]3)CCO2)c1 ZINC000367128460 512351119 /nfs/dbraw/zinc/35/11/19/512351119.db2.gz BCZZWGUZKPWNIT-SFHVURJKSA-N 1 2 365.437 2.538 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000070791041 507637685 /nfs/dbraw/zinc/63/76/85/507637685.db2.gz OGPZMLRXVKTNOM-UHFFFAOYSA-N 1 2 363.830 2.899 20 30 FFEDLO C=CCN(Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000027353919 507649913 /nfs/dbraw/zinc/64/99/13/507649913.db2.gz LNNUXRZSWKHSDV-UHFFFAOYSA-N 1 2 366.465 2.816 20 30 FFEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000027456767 507658793 /nfs/dbraw/zinc/65/87/93/507658793.db2.gz JIAZJIQAHCNSNL-UHFFFAOYSA-N 1 2 353.397 2.534 20 30 FFEDLO COc1ccc(C#N)cc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000050092417 507659875 /nfs/dbraw/zinc/65/98/75/507659875.db2.gz MWRGIMWXEBBINR-UHFFFAOYSA-N 1 2 351.410 2.884 20 30 FFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(=O)n2ccccc2n1 ZINC000063288487 507712298 /nfs/dbraw/zinc/71/22/98/507712298.db2.gz KNPLUFOIYFFSOC-UHFFFAOYSA-N 1 2 350.378 2.791 20 30 FFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(=O)n2ccccc2n1 ZINC000063288487 507712303 /nfs/dbraw/zinc/71/23/03/507712303.db2.gz KNPLUFOIYFFSOC-UHFFFAOYSA-N 1 2 350.378 2.791 20 30 FFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(=O)n2ccsc2n1 ZINC000063297864 507714639 /nfs/dbraw/zinc/71/46/39/507714639.db2.gz NCLPMBJUITYIIV-UHFFFAOYSA-N 1 2 356.407 2.852 20 30 FFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(=O)n2ccsc2n1 ZINC000063297864 507714647 /nfs/dbraw/zinc/71/46/47/507714647.db2.gz NCLPMBJUITYIIV-UHFFFAOYSA-N 1 2 356.407 2.852 20 30 FFEDLO Cc1nc(C2([NH2+]C[C@@H](O)COc3ccc(C#N)cc3)CCCCCC2)no1 ZINC000063511835 507739763 /nfs/dbraw/zinc/73/97/63/507739763.db2.gz HTINYVUFEQRFAT-QGZVFWFLSA-N 1 2 370.453 2.829 20 30 FFEDLO CCc1nc(NC(=O)C[N@H+](CCOC)Cc2ccc(C#N)cc2)sc1C ZINC000063753782 507767631 /nfs/dbraw/zinc/76/76/31/507767631.db2.gz KTSGDLPMWNVWHS-UHFFFAOYSA-N 1 2 372.494 2.973 20 30 FFEDLO CCc1nc(NC(=O)C[N@@H+](CCOC)Cc2ccc(C#N)cc2)sc1C ZINC000063753782 507767636 /nfs/dbraw/zinc/76/76/36/507767636.db2.gz KTSGDLPMWNVWHS-UHFFFAOYSA-N 1 2 372.494 2.973 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)Cn2cc[nH+]c2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000051451860 507771328 /nfs/dbraw/zinc/77/13/28/507771328.db2.gz LWNHHAIXTIIKOL-KRWDZBQOSA-N 1 2 364.361 2.770 20 30 FFEDLO C=CCc1cc(CNC(=O)NCCCn2cc[nH+]c2)cc(OC)c1OC ZINC000051674909 507780172 /nfs/dbraw/zinc/78/01/72/507780172.db2.gz WHFGJVCITZCTTM-UHFFFAOYSA-N 1 2 358.442 2.518 20 30 FFEDLO Cc1cccc([C@@H](CNc2nnc(C)c(C)c2C#N)[NH+]2CCOCC2)c1 ZINC000029626536 507784545 /nfs/dbraw/zinc/78/45/45/507784545.db2.gz JNQNHNTVTISSFN-LJQANCHMSA-N 1 2 351.454 2.759 20 30 FFEDLO C[C@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3C#N)c[nH+]2)CCO1 ZINC000052245282 507803905 /nfs/dbraw/zinc/80/39/05/507803905.db2.gz UQENUHNPIANZLM-ZDUSSCGKSA-N 1 2 353.382 2.699 20 30 FFEDLO C[C@H]1C[NH+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H](C)S1 ZINC000072771567 507851378 /nfs/dbraw/zinc/85/13/78/507851378.db2.gz BVSGZRHSHCNRSQ-KBPBESRZSA-N 1 2 355.467 2.508 20 30 FFEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cs1 ZINC000072920186 507873513 /nfs/dbraw/zinc/87/35/13/507873513.db2.gz CDIXUESRXWYNLY-MRVPVSSYSA-N 1 2 354.382 2.588 20 30 FFEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)Nc2ccc(F)cc2F)cs1 ZINC000072920117 507873587 /nfs/dbraw/zinc/87/35/87/507873587.db2.gz GDJOBHAJFVEJIQ-QMMMGPOBSA-N 1 2 354.382 2.588 20 30 FFEDLO C=CC[NH+](CC=C)CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000072938923 507874786 /nfs/dbraw/zinc/87/47/86/507874786.db2.gz DCWCDEVWYVGPJD-UHFFFAOYSA-N 1 2 369.387 2.776 20 30 FFEDLO C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078615997 507889663 /nfs/dbraw/zinc/88/96/63/507889663.db2.gz QXBHBGPATMUDLR-NQIIRXRSSA-N 1 2 362.477 2.920 20 30 FFEDLO C=CCc1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc(OC)c1OC ZINC000074250391 508001886 /nfs/dbraw/zinc/00/18/86/508001886.db2.gz CCQYHXOOSBRYAS-UHFFFAOYSA-N 1 2 369.465 2.938 20 30 FFEDLO N#Cc1ccc(CSc2nnc(NC(=O)NCc3[nH]cc[nH+]3)s2)cc1 ZINC000091977363 508029107 /nfs/dbraw/zinc/02/91/07/508029107.db2.gz HJPCLQCQVRRISZ-UHFFFAOYSA-N 1 2 371.451 2.747 20 30 FFEDLO CC(C)(CCC#N)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000091978568 508029118 /nfs/dbraw/zinc/02/91/18/508029118.db2.gz WFIQBOIQVWBBLU-UHFFFAOYSA-N 1 2 350.444 2.744 20 30 FFEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000080350332 508067246 /nfs/dbraw/zinc/06/72/46/508067246.db2.gz WEMPUMFBBTYNBG-SFHVURJKSA-N 1 2 352.438 2.739 20 30 FFEDLO C=CC[N@@H+](CCc1ccccc1)Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000092505692 508076698 /nfs/dbraw/zinc/07/66/98/508076698.db2.gz LIHHKIOCOOZAMB-FQEVSTJZSA-N 1 2 373.522 2.648 20 30 FFEDLO C=CC[N@H+](CCc1ccccc1)Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000092505692 508076702 /nfs/dbraw/zinc/07/67/02/508076702.db2.gz LIHHKIOCOOZAMB-FQEVSTJZSA-N 1 2 373.522 2.648 20 30 FFEDLO COc1ccc(OC)c(C[N@H+](CCO)Cc2cn3ccccc3c2C#N)c1 ZINC000111271073 508084101 /nfs/dbraw/zinc/08/41/01/508084101.db2.gz PKICUSMVHVTPPP-UHFFFAOYSA-N 1 2 365.433 2.823 20 30 FFEDLO COc1ccc(OC)c(C[N@@H+](CCO)Cc2cn3ccccc3c2C#N)c1 ZINC000111271073 508084104 /nfs/dbraw/zinc/08/41/04/508084104.db2.gz PKICUSMVHVTPPP-UHFFFAOYSA-N 1 2 365.433 2.823 20 30 FFEDLO N#CCCn1cc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)c(-c2ccccc2)n1 ZINC000092703018 508095438 /nfs/dbraw/zinc/09/54/38/508095438.db2.gz MTWFGBSQFMDPOP-OALUTQOASA-N 1 2 363.465 2.707 20 30 FFEDLO N#CCCn1cc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)c(-c2ccccc2)n1 ZINC000092703018 508095440 /nfs/dbraw/zinc/09/54/40/508095440.db2.gz MTWFGBSQFMDPOP-OALUTQOASA-N 1 2 363.465 2.707 20 30 FFEDLO N#Cc1ccc(NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC000111428638 508097974 /nfs/dbraw/zinc/09/79/74/508097974.db2.gz HRLJINWCVMEVMG-HXUWFJFHSA-N 1 2 364.449 2.623 20 30 FFEDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)ccc1O ZINC000080846872 508108079 /nfs/dbraw/zinc/10/80/79/508108079.db2.gz MGKNNFHZBNEPIP-UHFFFAOYSA-N 1 2 359.813 2.996 20 30 FFEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)ccc1O ZINC000080846872 508108081 /nfs/dbraw/zinc/10/80/81/508108081.db2.gz MGKNNFHZBNEPIP-UHFFFAOYSA-N 1 2 359.813 2.996 20 30 FFEDLO CC1CCC(NC(=O)C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 ZINC000080907744 508111115 /nfs/dbraw/zinc/11/11/15/508111115.db2.gz XMMPKUJYWYQCOV-UUKMXZOPSA-N 1 2 354.498 2.564 20 30 FFEDLO C=CC1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)CC1 ZINC000111834748 508127464 /nfs/dbraw/zinc/12/74/64/508127464.db2.gz NEBDMFCYXMDNQW-FQEVSTJZSA-N 1 2 357.498 2.976 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(OC(F)(F)F)cc1 ZINC000081158344 508142366 /nfs/dbraw/zinc/14/23/66/508142366.db2.gz SRYAOJVNBBYLDE-UHFFFAOYSA-N 1 2 357.376 2.633 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112360069 508178668 /nfs/dbraw/zinc/17/86/68/508178668.db2.gz KMNOHCLTPSRMDZ-CRAIPNDOSA-N 1 2 361.461 2.676 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112360069 508178670 /nfs/dbraw/zinc/17/86/70/508178670.db2.gz KMNOHCLTPSRMDZ-CRAIPNDOSA-N 1 2 361.461 2.676 20 30 FFEDLO CCC[NH+](CCC)CCCNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000076465833 508209865 /nfs/dbraw/zinc/20/98/65/508209865.db2.gz GRKZJNPFUYXUQK-UHFFFAOYSA-N 1 2 350.488 2.623 20 30 FFEDLO CC[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@@H](C)C#N ZINC000098134192 508236719 /nfs/dbraw/zinc/23/67/19/508236719.db2.gz DTHOTTPVKBNBHB-AWEZNQCLSA-N 1 2 351.372 2.655 20 30 FFEDLO CC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@@H](C)C#N ZINC000098134192 508236722 /nfs/dbraw/zinc/23/67/22/508236722.db2.gz DTHOTTPVKBNBHB-AWEZNQCLSA-N 1 2 351.372 2.655 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000083169940 508238608 /nfs/dbraw/zinc/23/86/08/508238608.db2.gz FEGKEHKTCCYZMD-BEFAXECRSA-N 1 2 371.481 2.645 20 30 FFEDLO CCCCN(C)C(=O)C1CC[NH+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000083168894 508238613 /nfs/dbraw/zinc/23/86/13/508238613.db2.gz MPHWZAUUQIPLES-IBGZPJMESA-N 1 2 371.481 2.743 20 30 FFEDLO COC(=O)c1cc(F)ccc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000103479158 508314980 /nfs/dbraw/zinc/31/49/80/508314980.db2.gz DUDQHRUHQMWAAL-UHFFFAOYSA-N 1 2 353.397 2.806 20 30 FFEDLO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000127344019 508435234 /nfs/dbraw/zinc/43/52/34/508435234.db2.gz CWXLRCGGQZNYOB-UHFFFAOYSA-N 1 2 374.510 2.673 20 30 FFEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000156766753 508473574 /nfs/dbraw/zinc/47/35/74/508473574.db2.gz BZNZQJVWRHIEML-UHFFFAOYSA-N 1 2 374.372 2.501 20 30 FFEDLO COc1ccc2c(c1)[C@@H]([N@H+](CC(=O)NCC#N)Cc1ccccc1)CCO2 ZINC000127636460 508480530 /nfs/dbraw/zinc/48/05/30/508480530.db2.gz OCMBMJUYVXTMNK-IBGZPJMESA-N 1 2 365.433 2.661 20 30 FFEDLO COc1ccc2c(c1)[C@@H]([N@@H+](CC(=O)NCC#N)Cc1ccccc1)CCO2 ZINC000127636460 508480534 /nfs/dbraw/zinc/48/05/34/508480534.db2.gz OCMBMJUYVXTMNK-IBGZPJMESA-N 1 2 365.433 2.661 20 30 FFEDLO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000134226002 508510078 /nfs/dbraw/zinc/51/00/78/508510078.db2.gz QYTRQFRKFCIKGM-FOIQADDNSA-N 1 2 370.474 2.656 20 30 FFEDLO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000134226002 508510080 /nfs/dbraw/zinc/51/00/80/508510080.db2.gz QYTRQFRKFCIKGM-FOIQADDNSA-N 1 2 370.474 2.656 20 30 FFEDLO CC[C@@H](O)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000134488467 508539290 /nfs/dbraw/zinc/53/92/90/508539290.db2.gz VMQHKCMLFZNGMD-LJQANCHMSA-N 1 2 372.490 2.605 20 30 FFEDLO CC[C@@H](O)C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000134488467 508539293 /nfs/dbraw/zinc/53/92/93/508539293.db2.gz VMQHKCMLFZNGMD-LJQANCHMSA-N 1 2 372.490 2.605 20 30 FFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000153151961 508552599 /nfs/dbraw/zinc/55/25/99/508552599.db2.gz HLEKYQCYQRZZDU-IBGZPJMESA-N 1 2 361.449 2.930 20 30 FFEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000116807586 508564026 /nfs/dbraw/zinc/56/40/26/508564026.db2.gz QWXRPAQRCZTECR-ACJLOTCBSA-N 1 2 353.382 2.983 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000122936311 508610166 /nfs/dbraw/zinc/61/01/66/508610166.db2.gz HKPVUHNUPWEWHY-UHFFFAOYSA-N 1 2 362.412 2.805 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000153636075 508613718 /nfs/dbraw/zinc/61/37/18/508613718.db2.gz FVDWKLTZDYGILL-GOSISDBHSA-N 1 2 359.470 2.970 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000153636158 508613827 /nfs/dbraw/zinc/61/38/27/508613827.db2.gz FVDWKLTZDYGILL-SFHVURJKSA-N 1 2 359.470 2.970 20 30 FFEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158174048 508667281 /nfs/dbraw/zinc/66/72/81/508667281.db2.gz NLBLJAFRUVKWTG-CQSZACIVSA-N 1 2 353.422 2.902 20 30 FFEDLO Cc1cc(C)c(NC(=O)CO[NH+]=C(N)c2ccc3c(c2)CCO3)c(C)c1 ZINC000158214752 508672827 /nfs/dbraw/zinc/67/28/27/508672827.db2.gz GAYNMTPHSGBVRC-UHFFFAOYSA-N 1 2 353.422 2.822 20 30 FFEDLO COCC[N@H+](CC(=O)N(C)Cc1ccccc1C)Cc1ccc(C#N)cc1 ZINC000123415418 508683347 /nfs/dbraw/zinc/68/33/47/508683347.db2.gz ZUJUGGDVEOZLTA-UHFFFAOYSA-N 1 2 365.477 2.974 20 30 FFEDLO COCC[N@@H+](CC(=O)N(C)Cc1ccccc1C)Cc1ccc(C#N)cc1 ZINC000123415418 508683351 /nfs/dbraw/zinc/68/33/51/508683351.db2.gz ZUJUGGDVEOZLTA-UHFFFAOYSA-N 1 2 365.477 2.974 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1ccc(C#N)cc1 ZINC000124144692 508788108 /nfs/dbraw/zinc/78/81/08/508788108.db2.gz GXQMJFZXOHUWGW-UHFFFAOYSA-N 1 2 370.478 2.591 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1ccc(C#N)cc1 ZINC000124144692 508788110 /nfs/dbraw/zinc/78/81/10/508788110.db2.gz GXQMJFZXOHUWGW-UHFFFAOYSA-N 1 2 370.478 2.591 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000119497024 508807591 /nfs/dbraw/zinc/80/75/91/508807591.db2.gz FLYSISILJQYJMI-NVXWUHKLSA-N 1 2 352.438 2.540 20 30 FFEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000154593899 508816061 /nfs/dbraw/zinc/81/60/61/508816061.db2.gz UWMMTIHAWPFUKA-UHFFFAOYSA-N 1 2 365.433 2.721 20 30 FFEDLO CN(C(=O)C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1)C1(C#N)CCCCC1 ZINC000141766291 508818661 /nfs/dbraw/zinc/81/86/61/508818661.db2.gz UMSKWSUXWBGXMV-SFHVURJKSA-N 1 2 359.470 2.945 20 30 FFEDLO CN(C(=O)C[N@H+](Cc1ccco1)C[C@@H]1CCCO1)C1(C#N)CCCCC1 ZINC000141766291 508818664 /nfs/dbraw/zinc/81/86/64/508818664.db2.gz UMSKWSUXWBGXMV-SFHVURJKSA-N 1 2 359.470 2.945 20 30 FFEDLO CC(C)[C@@H](NC(=O)C[NH+]1CCC(C#N)CC1)c1ccc2c(c1)OCCO2 ZINC000142057319 508821026 /nfs/dbraw/zinc/82/10/26/508821026.db2.gz XSMOEHICKWAPDE-HXUWFJFHSA-N 1 2 357.454 2.507 20 30 FFEDLO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000119653367 508837129 /nfs/dbraw/zinc/83/71/29/508837129.db2.gz UQYCGRZGNMSUDU-HXUWFJFHSA-N 1 2 370.474 2.683 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000119653367 508837131 /nfs/dbraw/zinc/83/71/31/508837131.db2.gz UQYCGRZGNMSUDU-HXUWFJFHSA-N 1 2 370.474 2.683 20 30 FFEDLO CN(C(=O)CN1CC[NH+](Cc2ccc(C#N)s2)CC1)C1CCCCC1 ZINC000131276059 508909571 /nfs/dbraw/zinc/90/95/71/508909571.db2.gz KAGGEPKFIDYYIN-UHFFFAOYSA-N 1 2 360.527 2.528 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@@H]1c1cccn1C ZINC000131810839 508971974 /nfs/dbraw/zinc/97/19/74/508971974.db2.gz ZVRPJTUTSVJHPM-AZUAARDMSA-N 1 2 356.466 2.567 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1cccn1C ZINC000131810839 508971979 /nfs/dbraw/zinc/97/19/79/508971979.db2.gz ZVRPJTUTSVJHPM-AZUAARDMSA-N 1 2 356.466 2.567 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cn(-c2ccccc2)nn1 ZINC000151235389 508983358 /nfs/dbraw/zinc/98/33/58/508983358.db2.gz CPLCCDPKIULTFL-CVEARBPZSA-N 1 2 366.469 2.649 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000160689016 509020457 /nfs/dbraw/zinc/02/04/57/509020457.db2.gz XNOFWVGCJVMBSO-MDZRGWNJSA-N 1 2 373.497 2.675 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000155739871 509062812 /nfs/dbraw/zinc/06/28/12/509062812.db2.gz GNYSNIPPMDQSKN-INIZCTEOSA-N 1 2 367.424 2.809 20 30 FFEDLO C=C(C)COCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000132703943 509064043 /nfs/dbraw/zinc/06/40/43/509064043.db2.gz OKNACVOVPMGNMB-IAGOWNOFSA-N 1 2 353.413 2.602 20 30 FFEDLO C=C(C)COCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000132703943 509064045 /nfs/dbraw/zinc/06/40/45/509064045.db2.gz OKNACVOVPMGNMB-IAGOWNOFSA-N 1 2 353.413 2.602 20 30 FFEDLO C=CCc1cc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc(OC)c1OC ZINC000161054915 509064963 /nfs/dbraw/zinc/06/49/63/509064963.db2.gz VPIXETXTYOYIMH-MRXNPFEDSA-N 1 2 355.438 2.508 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](CC)CC(=O)Nc1ccccc1OC ZINC000132935343 509093803 /nfs/dbraw/zinc/09/38/03/509093803.db2.gz WHMMUIDUSLTHFA-MRXNPFEDSA-N 1 2 361.486 2.769 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccccc1OC ZINC000132935343 509093805 /nfs/dbraw/zinc/09/38/05/509093805.db2.gz WHMMUIDUSLTHFA-MRXNPFEDSA-N 1 2 361.486 2.769 20 30 FFEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cs1 ZINC000121050809 509118378 /nfs/dbraw/zinc/11/83/78/509118378.db2.gz MTLGGGGJITZLOP-NSHDSACASA-N 1 2 364.446 2.642 20 30 FFEDLO O=C(C1CC1)N1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000121270181 509160546 /nfs/dbraw/zinc/16/05/46/509160546.db2.gz KNOJKRGADLRCTA-UHFFFAOYSA-N 1 2 366.383 2.881 20 30 FFEDLO O=C(C1CC1)N1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000121270181 509160549 /nfs/dbraw/zinc/16/05/49/509160549.db2.gz KNOJKRGADLRCTA-UHFFFAOYSA-N 1 2 366.383 2.881 20 30 FFEDLO C[C@H](C1CC1)N(C(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1)C1CC1 ZINC000121384513 509171156 /nfs/dbraw/zinc/17/11/56/509171156.db2.gz PRICAINORQFDOL-DYESRHJHSA-N 1 2 366.509 2.658 20 30 FFEDLO C[C@@H](C(=O)Nc1nccs1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264083501 509322655 /nfs/dbraw/zinc/32/26/55/509322655.db2.gz DYLLZGOMNZKIHB-ZDUSSCGKSA-N 1 2 356.451 2.885 20 30 FFEDLO C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1nccn1CC(F)(F)F ZINC000264169291 509360834 /nfs/dbraw/zinc/36/08/34/509360834.db2.gz YIYRONNOILHUBC-UHFFFAOYSA-N 1 2 365.359 2.778 20 30 FFEDLO C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1nccn1CC(F)(F)F ZINC000264169291 509360839 /nfs/dbraw/zinc/36/08/39/509360839.db2.gz YIYRONNOILHUBC-UHFFFAOYSA-N 1 2 365.359 2.778 20 30 FFEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248594321 509381961 /nfs/dbraw/zinc/38/19/61/509381961.db2.gz SHEXTEHQBZZSKQ-KBRIMQKVSA-N 1 2 369.868 2.851 20 30 FFEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248594321 509381969 /nfs/dbraw/zinc/38/19/69/509381969.db2.gz SHEXTEHQBZZSKQ-KBRIMQKVSA-N 1 2 369.868 2.851 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(Cl)ccc1OC(F)F ZINC000176264122 509409196 /nfs/dbraw/zinc/40/91/96/509409196.db2.gz OEOJDUUYIJCOAR-UHFFFAOYSA-N 1 2 373.831 2.989 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000189108610 509414733 /nfs/dbraw/zinc/41/47/33/509414733.db2.gz HEXUQBDQGZTWAA-UHFFFAOYSA-N 1 2 353.397 2.664 20 30 FFEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000163793660 509423539 /nfs/dbraw/zinc/42/35/39/509423539.db2.gz SODXBCSASONGIX-QRWLVFNGSA-N 1 2 365.481 2.963 20 30 FFEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000163793660 509423544 /nfs/dbraw/zinc/42/35/44/509423544.db2.gz SODXBCSASONGIX-QRWLVFNGSA-N 1 2 365.481 2.963 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2cccc(OCC#N)c2)c1C ZINC000179461880 509456174 /nfs/dbraw/zinc/45/61/74/509456174.db2.gz AOBUUVBJTSWNBC-UHFFFAOYSA-N 1 2 353.422 2.811 20 30 FFEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3cccc(C#N)n3)CC2)cs1 ZINC000267808560 509623540 /nfs/dbraw/zinc/62/35/40/509623540.db2.gz SJKSSYPOFVTRPB-AWEZNQCLSA-N 1 2 357.483 2.829 20 30 FFEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3cccc(C#N)n3)CC2)cs1 ZINC000267808560 509623545 /nfs/dbraw/zinc/62/35/45/509623545.db2.gz SJKSSYPOFVTRPB-AWEZNQCLSA-N 1 2 357.483 2.829 20 30 FFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1ncccc1OCCCC#N ZINC000186440348 509709685 /nfs/dbraw/zinc/70/96/85/509709685.db2.gz BPPYQHADFHWTBI-UHFFFAOYSA-N 1 2 356.430 2.938 20 30 FFEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000180024783 509715355 /nfs/dbraw/zinc/71/53/55/509715355.db2.gz FDQONBGRCNBBDR-MRXNPFEDSA-N 1 2 365.437 2.722 20 30 FFEDLO Cn1ncc2c1nc[nH+]c2S[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000180024368 509715414 /nfs/dbraw/zinc/71/54/14/509715414.db2.gz XTROUZHVQMUTOV-HNNXBMFYSA-N 1 2 364.434 2.523 20 30 FFEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000180027653 509715918 /nfs/dbraw/zinc/71/59/18/509715918.db2.gz HVIMHAMKHZPRDN-CABCVRRESA-N 1 2 351.410 2.773 20 30 FFEDLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1CCOCC(F)(F)C(F)F ZINC000189865396 509797512 /nfs/dbraw/zinc/79/75/12/509797512.db2.gz XUNYLHBLBHNFSZ-UHFFFAOYSA-N 1 2 354.310 2.862 20 30 FFEDLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1CCOCC(F)(F)C(F)F ZINC000189865396 509797506 /nfs/dbraw/zinc/79/75/06/509797506.db2.gz XUNYLHBLBHNFSZ-UHFFFAOYSA-N 1 2 354.310 2.862 20 30 FFEDLO COC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H](C)O1 ZINC000251933028 509827245 /nfs/dbraw/zinc/82/72/45/509827245.db2.gz UAYSCCWAQHZLRM-HBFSDRIKSA-N 1 2 373.497 2.674 20 30 FFEDLO COC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H](C)O1 ZINC000251933028 509827254 /nfs/dbraw/zinc/82/72/54/509827254.db2.gz UAYSCCWAQHZLRM-HBFSDRIKSA-N 1 2 373.497 2.674 20 30 FFEDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000186686359 509853277 /nfs/dbraw/zinc/85/32/77/509853277.db2.gz IVGZHWSSMGWRPL-INIZCTEOSA-N 1 2 355.891 2.505 20 30 FFEDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000186686359 509853283 /nfs/dbraw/zinc/85/32/83/509853283.db2.gz IVGZHWSSMGWRPL-INIZCTEOSA-N 1 2 355.891 2.505 20 30 FFEDLO C[C@H](c1ccc(Cl)cc1)N1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000173972953 509883040 /nfs/dbraw/zinc/88/30/40/509883040.db2.gz WKDWADHAGPYNPS-CVEARBPZSA-N 1 2 362.905 2.779 20 30 FFEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000173972953 509883044 /nfs/dbraw/zinc/88/30/44/509883044.db2.gz WKDWADHAGPYNPS-CVEARBPZSA-N 1 2 362.905 2.779 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000265243045 509942309 /nfs/dbraw/zinc/94/23/09/509942309.db2.gz IYKVFVHNWXAZIH-MRXNPFEDSA-N 1 2 366.490 2.951 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)n1 ZINC000177262793 509967616 /nfs/dbraw/zinc/96/76/16/509967616.db2.gz AOWOYBQPHZAZSR-CYBMUJFWSA-N 1 2 359.455 2.746 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)n1 ZINC000177262793 509967619 /nfs/dbraw/zinc/96/76/19/509967619.db2.gz AOWOYBQPHZAZSR-CYBMUJFWSA-N 1 2 359.455 2.746 20 30 FFEDLO Cc1ccc([C@@H](CNc2nccc(C#N)c2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000268505501 509974973 /nfs/dbraw/zinc/97/49/73/509974973.db2.gz QZJWKQUDWXTVQK-QGZVFWFLSA-N 1 2 367.409 2.655 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc2ccccc2c(Cl)n1 ZINC000193619177 509992532 /nfs/dbraw/zinc/99/25/32/509992532.db2.gz GJPUEPDICSCGNT-UHFFFAOYSA-N 1 2 372.856 2.576 20 30 FFEDLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc(C#N)cc1 ZINC000177380233 510026193 /nfs/dbraw/zinc/02/61/93/510026193.db2.gz IQGAOMAUOJNSOY-UHFFFAOYSA-N 1 2 368.412 2.985 20 30 FFEDLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc(C#N)cc1 ZINC000177380233 510026199 /nfs/dbraw/zinc/02/61/99/510026199.db2.gz IQGAOMAUOJNSOY-UHFFFAOYSA-N 1 2 368.412 2.985 20 30 FFEDLO CCc1ccc([C@@H]2COCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)o1 ZINC000265475642 510075430 /nfs/dbraw/zinc/07/54/30/510075430.db2.gz FBXUBHRXVWJCKU-APWZRJJASA-N 1 2 356.422 2.527 20 30 FFEDLO CCc1ccc([C@@H]2COCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)o1 ZINC000265475642 510075436 /nfs/dbraw/zinc/07/54/36/510075436.db2.gz FBXUBHRXVWJCKU-APWZRJJASA-N 1 2 356.422 2.527 20 30 FFEDLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1snc(Cl)c1C#N ZINC000265499360 510086866 /nfs/dbraw/zinc/08/68/66/510086866.db2.gz XGRVVKGCXGZRNV-GFCCVEGCSA-N 1 2 362.890 2.686 20 30 FFEDLO N#CC1(c2ccc(C(=O)N3CCCC[C@@H]3C[NH+]3CCOCC3)cc2)CC1 ZINC000180953530 510205154 /nfs/dbraw/zinc/20/51/54/510205154.db2.gz QUIZTGQCMGBLLV-LJQANCHMSA-N 1 2 353.466 2.569 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265821648 510248047 /nfs/dbraw/zinc/24/80/47/510248047.db2.gz IKYRATNMNIYZPD-PBHICJAKSA-N 1 2 372.469 2.732 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265821648 510248049 /nfs/dbraw/zinc/24/80/49/510248049.db2.gz IKYRATNMNIYZPD-PBHICJAKSA-N 1 2 372.469 2.732 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(c2nnc(CC)[nH]2)CC1 ZINC000190661195 510270398 /nfs/dbraw/zinc/27/03/98/510270398.db2.gz OHFSVNNJHTUHSX-GOSISDBHSA-N 1 2 370.497 2.715 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(c2nc(CC)n[nH]2)CC1 ZINC000190661195 510270403 /nfs/dbraw/zinc/27/04/03/510270403.db2.gz OHFSVNNJHTUHSX-GOSISDBHSA-N 1 2 370.497 2.715 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(c2n[nH]c(CC)n2)CC1 ZINC000190661195 510270408 /nfs/dbraw/zinc/27/04/08/510270408.db2.gz OHFSVNNJHTUHSX-GOSISDBHSA-N 1 2 370.497 2.715 20 30 FFEDLO C[C@]([NH2+]Cc1ccc(C#N)cc1Br)(C(N)=O)c1ccccc1 ZINC000181162879 510289687 /nfs/dbraw/zinc/28/96/87/510289687.db2.gz DYTFHZOXGYJFGJ-QGZVFWFLSA-N 1 2 358.239 2.811 20 30 FFEDLO C=CCC[C@H](C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000187644840 510368706 /nfs/dbraw/zinc/36/87/06/510368706.db2.gz DCDXXNVLEORGTO-XLIONFOSSA-N 1 2 369.509 2.548 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000246288072 510407792 /nfs/dbraw/zinc/40/77/92/510407792.db2.gz BPEPWJOKNLBSLX-FUHWJXTLSA-N 1 2 360.479 2.685 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000246288072 510407798 /nfs/dbraw/zinc/40/77/98/510407798.db2.gz BPEPWJOKNLBSLX-FUHWJXTLSA-N 1 2 360.479 2.685 20 30 FFEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000266167908 510443468 /nfs/dbraw/zinc/44/34/68/510443468.db2.gz BAMWQSMQMHTSTA-VXGBXAGGSA-N 1 2 373.400 2.965 20 30 FFEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000191139546 510520675 /nfs/dbraw/zinc/52/06/75/510520675.db2.gz CSRQQNWYEALWOR-UHFFFAOYSA-N 1 2 363.458 2.946 20 30 FFEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000191139546 510520677 /nfs/dbraw/zinc/52/06/77/510520677.db2.gz CSRQQNWYEALWOR-UHFFFAOYSA-N 1 2 363.458 2.946 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000178273645 510521102 /nfs/dbraw/zinc/52/11/02/510521102.db2.gz JNZDAWRQQKJJEX-NVXWUHKLSA-N 1 2 372.431 2.723 20 30 FFEDLO COc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)cc1F ZINC000194837576 510551846 /nfs/dbraw/zinc/55/18/46/510551846.db2.gz AHTOFJYEQNXYPI-UHFFFAOYSA-N 1 2 367.424 2.593 20 30 FFEDLO N#CCC[N@@H+](CCC(=O)NC(=O)Nc1ccccc1)Cc1ccccn1 ZINC000178380733 510575974 /nfs/dbraw/zinc/57/59/74/510575974.db2.gz CYEDBEFGSPSTPA-UHFFFAOYSA-N 1 2 351.410 2.536 20 30 FFEDLO N#CCC[N@H+](CCC(=O)NC(=O)Nc1ccccc1)Cc1ccccn1 ZINC000178380733 510575979 /nfs/dbraw/zinc/57/59/79/510575979.db2.gz CYEDBEFGSPSTPA-UHFFFAOYSA-N 1 2 351.410 2.536 20 30 FFEDLO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246605194 510580301 /nfs/dbraw/zinc/58/03/01/510580301.db2.gz HMQUARQAAKVAAW-HNAYVOBHSA-N 1 2 358.438 2.828 20 30 FFEDLO CCOC(=O)CC[C@@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246605194 510580305 /nfs/dbraw/zinc/58/03/05/510580305.db2.gz HMQUARQAAKVAAW-HNAYVOBHSA-N 1 2 358.438 2.828 20 30 FFEDLO N#Cc1ccc(CCC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000178440905 510605483 /nfs/dbraw/zinc/60/54/83/510605483.db2.gz KMONITCPCZYQSP-UHFFFAOYSA-N 1 2 351.425 2.974 20 30 FFEDLO N#Cc1ccc(C[N@@H+](CC(=O)N2CC(=O)Nc3ccccc32)C2CC2)cc1 ZINC000194966903 510611363 /nfs/dbraw/zinc/61/13/63/510611363.db2.gz NWEVSYMGYNKXJQ-UHFFFAOYSA-N 1 2 360.417 2.508 20 30 FFEDLO N#Cc1ccc(C[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)C2CC2)cc1 ZINC000194966903 510611374 /nfs/dbraw/zinc/61/13/74/510611374.db2.gz NWEVSYMGYNKXJQ-UHFFFAOYSA-N 1 2 360.417 2.508 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1ccc(C(C)=O)cc1)Cc1ccc(C#N)cc1 ZINC000195001786 510627438 /nfs/dbraw/zinc/62/74/38/510627438.db2.gz SSASRKPVVMXQDV-UHFFFAOYSA-N 1 2 365.433 2.848 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1ccc(C(C)=O)cc1)Cc1ccc(C#N)cc1 ZINC000195001786 510627440 /nfs/dbraw/zinc/62/74/40/510627440.db2.gz SSASRKPVVMXQDV-UHFFFAOYSA-N 1 2 365.433 2.848 20 30 FFEDLO COC(C)(C)C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000266557154 510658247 /nfs/dbraw/zinc/65/82/47/510658247.db2.gz MESCVHYIMUZKKM-MRXNPFEDSA-N 1 2 358.486 2.589 20 30 FFEDLO CCO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000172319270 510665753 /nfs/dbraw/zinc/66/57/53/510665753.db2.gz ATXFBEMQYQSNIS-HNNXBMFYSA-N 1 2 355.442 2.751 20 30 FFEDLO CCO[C@@H](C)c1noc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000172319270 510665760 /nfs/dbraw/zinc/66/57/60/510665760.db2.gz ATXFBEMQYQSNIS-HNNXBMFYSA-N 1 2 355.442 2.751 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c(C#N)c1C ZINC000178807765 510784365 /nfs/dbraw/zinc/78/43/65/510784365.db2.gz FIEPXFIFQWRMMX-VWLOTQADSA-N 1 2 359.451 2.576 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2ccc([S@](C)=O)cc2)c(C#N)c1C ZINC000178807765 510784368 /nfs/dbraw/zinc/78/43/68/510784368.db2.gz FIEPXFIFQWRMMX-VWLOTQADSA-N 1 2 359.451 2.576 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1Cl ZINC000247289779 510855646 /nfs/dbraw/zinc/85/56/46/510855646.db2.gz UFMAJIVGOMQIBI-RTBURBONSA-N 1 2 369.852 2.922 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1Cl ZINC000247289779 510855647 /nfs/dbraw/zinc/85/56/47/510855647.db2.gz UFMAJIVGOMQIBI-RTBURBONSA-N 1 2 369.852 2.922 20 30 FFEDLO C[C@@]1(O)CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000329914060 510875259 /nfs/dbraw/zinc/87/52/59/510875259.db2.gz OYXPUTRRJUAUPO-QGZVFWFLSA-N 1 2 352.504 2.911 20 30 FFEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000329914120 510875881 /nfs/dbraw/zinc/87/58/81/510875881.db2.gz PBAMYAVPEHKUSC-CRAIPNDOSA-N 1 2 355.486 2.948 20 30 FFEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000329914120 510875884 /nfs/dbraw/zinc/87/58/84/510875884.db2.gz PBAMYAVPEHKUSC-CRAIPNDOSA-N 1 2 355.486 2.948 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2CCCCC2(C)C)cn1 ZINC000329909367 510876024 /nfs/dbraw/zinc/87/60/24/510876024.db2.gz MLWSDMHQKMGYCW-YESZJQIVSA-N 1 2 365.497 2.805 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2CCCCC2(C)C)cn1 ZINC000329909367 510876027 /nfs/dbraw/zinc/87/60/27/510876027.db2.gz MLWSDMHQKMGYCW-YESZJQIVSA-N 1 2 365.497 2.805 20 30 FFEDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1coc(C2CCOCC2)n1 ZINC000329925909 510878163 /nfs/dbraw/zinc/87/81/63/510878163.db2.gz VTNJAUSEPUPUGW-UHFFFAOYSA-N 1 2 356.426 2.937 20 30 FFEDLO C=CCCOCCNC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000270482097 510883939 /nfs/dbraw/zinc/88/39/39/510883939.db2.gz WQVLOZWFLJVBMF-UHFFFAOYSA-N 1 2 356.470 2.908 20 30 FFEDLO CCN1CCN(C(=O)NCC2(c3ccc(F)cc3)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329947328 510884105 /nfs/dbraw/zinc/88/41/05/510884105.db2.gz GWBSUXXQCNNUHS-KRWDZBQOSA-N 1 2 371.460 2.873 20 30 FFEDLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000329945600 510884245 /nfs/dbraw/zinc/88/42/45/510884245.db2.gz JEJABNXCAXFVGN-GXTWGEPZSA-N 1 2 372.477 2.652 20 30 FFEDLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000329945600 510884249 /nfs/dbraw/zinc/88/42/49/510884249.db2.gz JEJABNXCAXFVGN-GXTWGEPZSA-N 1 2 372.477 2.652 20 30 FFEDLO C[C@@H]1CCC[C@H](CNC(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)C1 ZINC000329958143 510887587 /nfs/dbraw/zinc/88/75/87/510887587.db2.gz QMWALQWBIOALRA-QZWWFDLISA-N 1 2 365.497 2.662 20 30 FFEDLO Cc1cc(C)c(CCNC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000329961558 510887713 /nfs/dbraw/zinc/88/77/13/510887713.db2.gz OQFZKCHAXYKRCP-IBGZPJMESA-N 1 2 369.513 2.791 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000329964798 510888348 /nfs/dbraw/zinc/88/83/48/510888348.db2.gz URWXVZONBOSQRD-MWNCTCPHSA-N 1 2 353.438 2.975 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000329964798 510888357 /nfs/dbraw/zinc/88/83/57/510888357.db2.gz URWXVZONBOSQRD-MWNCTCPHSA-N 1 2 353.438 2.975 20 30 FFEDLO CC(=O)N[C@H](C)C1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000330070453 510910246 /nfs/dbraw/zinc/91/02/46/510910246.db2.gz XBNMZZXFTLGNCC-MRXNPFEDSA-N 1 2 373.497 2.736 20 30 FFEDLO COc1cc(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)ccc1C#N ZINC000282272271 510911073 /nfs/dbraw/zinc/91/10/73/510911073.db2.gz KMJGUTDQTSUILJ-UHFFFAOYSA-N 1 2 353.397 2.664 20 30 FFEDLO CCOCCOC1C[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000297354896 510914328 /nfs/dbraw/zinc/91/43/28/510914328.db2.gz FKMHVQIFGZTNNT-UHFFFAOYSA-N 1 2 354.454 2.701 20 30 FFEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000330100408 510915558 /nfs/dbraw/zinc/91/55/58/510915558.db2.gz DNIKMBJIDDGRHT-BIENJYKASA-N 1 2 368.424 2.732 20 30 FFEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000330100408 510915565 /nfs/dbraw/zinc/91/55/65/510915565.db2.gz DNIKMBJIDDGRHT-BIENJYKASA-N 1 2 368.424 2.732 20 30 FFEDLO CN(C(=O)C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1)C1(C#N)CCCCC1 ZINC000330197940 510935226 /nfs/dbraw/zinc/93/52/26/510935226.db2.gz SMYVDWDPFYLBBH-INIZCTEOSA-N 1 2 374.460 2.749 20 30 FFEDLO CN(C(=O)C[N@H+]1CCC[C@H](Oc2ncccc2F)C1)C1(C#N)CCCCC1 ZINC000330197940 510935230 /nfs/dbraw/zinc/93/52/30/510935230.db2.gz SMYVDWDPFYLBBH-INIZCTEOSA-N 1 2 374.460 2.749 20 30 FFEDLO COc1cccc2c1CCN(C([O-])=[NH+]Cc1cn3c([nH+]1)CCCC3)CC2 ZINC000330259716 510949450 /nfs/dbraw/zinc/94/94/50/510949450.db2.gz NOZSYDALQZSADX-UHFFFAOYSA-N 1 2 354.454 2.743 20 30 FFEDLO COc1cccc2c1CCN(C(=O)NCc1cn3c([nH+]1)CCCC3)CC2 ZINC000330259716 510949453 /nfs/dbraw/zinc/94/94/53/510949453.db2.gz NOZSYDALQZSADX-UHFFFAOYSA-N 1 2 354.454 2.743 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000294092059 510953168 /nfs/dbraw/zinc/95/31/68/510953168.db2.gz LVYQWPSJHGWUDR-SFHVURJKSA-N 1 2 351.454 2.618 20 30 FFEDLO CCN1CCN(C(=O)Nc2cc(C(=O)NC)ccc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000330281910 510956137 /nfs/dbraw/zinc/95/61/37/510956137.db2.gz AESZRNBDHHVJBH-INIZCTEOSA-N 1 2 370.457 2.577 20 30 FFEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@H]2CCC(F)(F)C2)CC1 ZINC000330284244 510957322 /nfs/dbraw/zinc/95/73/22/510957322.db2.gz XEXQRXUSHWHGRT-HNNXBMFYSA-N 1 2 369.460 2.504 20 30 FFEDLO C[C@H]1N(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)CCOC1(C)C ZINC000330308656 510961162 /nfs/dbraw/zinc/96/11/62/510961162.db2.gz MJQVZNVQQUDSBG-CYBMUJFWSA-N 1 2 352.504 2.826 20 30 FFEDLO CC[C@H]1CO[C@@H](C)CN1CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000330312242 510962169 /nfs/dbraw/zinc/96/21/69/510962169.db2.gz ODYBAYSCBXSDJO-ZFWWWQNUSA-N 1 2 352.504 2.826 20 30 FFEDLO C=CCC(C)(C)CNC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000294123411 510963208 /nfs/dbraw/zinc/96/32/08/510963208.db2.gz FWUICOYAWXWEML-CRAIPNDOSA-N 1 2 358.486 2.581 20 30 FFEDLO CCN1CCN(C(=O)Nc2cccc(N(C)C)c2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000330325819 510964708 /nfs/dbraw/zinc/96/47/08/510964708.db2.gz JPHJYUNQZXSZOB-KRWDZBQOSA-N 1 2 356.474 2.708 20 30 FFEDLO CC(C)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330336296 510968463 /nfs/dbraw/zinc/96/84/63/510968463.db2.gz SHDBLORKXQROSV-INMHGKMJSA-N 1 2 362.474 2.634 20 30 FFEDLO CCN1CCN(C(=O)Nc2cc(F)c(OC)c(F)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330346545 510971169 /nfs/dbraw/zinc/97/11/69/510971169.db2.gz GSANOKNAVBIWOE-CQSZACIVSA-N 1 2 365.384 2.621 20 30 FFEDLO Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)on1 ZINC000285611543 510977230 /nfs/dbraw/zinc/97/72/30/510977230.db2.gz XKQIORUALZTTID-CYBMUJFWSA-N 1 2 372.400 2.864 20 30 FFEDLO CCN(CCC#N)C(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278758846 511006026 /nfs/dbraw/zinc/00/60/26/511006026.db2.gz UYDSQALIEBANJK-UHFFFAOYSA-N 1 2 365.437 2.587 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)[C@H](C)CO)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000330791518 511017260 /nfs/dbraw/zinc/01/72/60/511017260.db2.gz AUHDJEFXPXZJEZ-HAJMCDISSA-N 1 2 373.419 2.760 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)N[C@H](C)[C@H](C)CO)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000330791518 511017267 /nfs/dbraw/zinc/01/72/67/511017267.db2.gz AUHDJEFXPXZJEZ-HAJMCDISSA-N 1 2 373.419 2.760 20 30 FFEDLO CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330997275 511036491 /nfs/dbraw/zinc/03/64/91/511036491.db2.gz VIMYVROWKAWVKR-LBPRGKRZSA-N 1 2 366.531 2.830 20 30 FFEDLO CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330997275 511036492 /nfs/dbraw/zinc/03/64/92/511036492.db2.gz VIMYVROWKAWVKR-LBPRGKRZSA-N 1 2 366.531 2.830 20 30 FFEDLO COCC[N@H+](CCS(=O)(=O)Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000279329624 511047407 /nfs/dbraw/zinc/04/74/07/511047407.db2.gz HDPCXJNMBMIPFT-UHFFFAOYSA-N 1 2 372.490 2.622 20 30 FFEDLO COCC[N@@H+](CCS(=O)(=O)Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000279329624 511047411 /nfs/dbraw/zinc/04/74/11/511047411.db2.gz HDPCXJNMBMIPFT-UHFFFAOYSA-N 1 2 372.490 2.622 20 30 FFEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)N(C)CC(C)(C)C)CC1 ZINC000331308000 511058380 /nfs/dbraw/zinc/05/83/80/511058380.db2.gz WUZBVEDOGBDXGZ-UHFFFAOYSA-N 1 2 360.502 2.874 20 30 FFEDLO Cn1c(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)nc2ccc(Cl)cc21 ZINC000271038599 511065011 /nfs/dbraw/zinc/06/50/11/511065011.db2.gz HESGNXVDGPQXRU-UHFFFAOYSA-N 1 2 366.856 2.816 20 30 FFEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)C(C)(C)C ZINC000288329079 511071062 /nfs/dbraw/zinc/07/10/62/511071062.db2.gz HLGRDGVSSXKSRM-MRXNPFEDSA-N 1 2 352.438 2.553 20 30 FFEDLO C=CCC[C@@H](NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000289346137 511098108 /nfs/dbraw/zinc/09/81/08/511098108.db2.gz KXOQSVLBLKPDCV-ZWKOTPCHSA-N 1 2 366.465 2.939 20 30 FFEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000298084065 511169869 /nfs/dbraw/zinc/16/98/69/511169869.db2.gz TULFITNQAFZXJL-SFHVURJKSA-N 1 2 366.465 2.721 20 30 FFEDLO N#Cc1ccc(SCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)nc1 ZINC000298327997 511246859 /nfs/dbraw/zinc/24/68/59/511246859.db2.gz XEWOIJSWTNABPW-UHFFFAOYSA-N 1 2 368.462 2.516 20 30 FFEDLO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(Br)o1 ZINC000298483912 511300722 /nfs/dbraw/zinc/30/07/22/511300722.db2.gz VQOJBJYBKOOYGG-UHFFFAOYSA-N 1 2 362.227 2.662 20 30 FFEDLO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(Br)o1 ZINC000298483912 511300728 /nfs/dbraw/zinc/30/07/28/511300728.db2.gz VQOJBJYBKOOYGG-UHFFFAOYSA-N 1 2 362.227 2.662 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280224849 511382959 /nfs/dbraw/zinc/38/29/59/511382959.db2.gz ACFAEXLPGMJNHB-JTDSTZFVSA-N 1 2 364.511 2.531 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280224849 511382962 /nfs/dbraw/zinc/38/29/62/511382962.db2.gz ACFAEXLPGMJNHB-JTDSTZFVSA-N 1 2 364.511 2.531 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCCOc2ccccc2C(C)=O)cc1OC ZINC000298734201 511392213 /nfs/dbraw/zinc/39/22/13/511392213.db2.gz HWCCTFPFXKZQRB-UHFFFAOYSA-N 1 2 358.394 2.622 20 30 FFEDLO Cc1cc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)nn1CCC#N ZINC000272008970 511399272 /nfs/dbraw/zinc/39/92/72/511399272.db2.gz AKUUKZPTGNASJL-UHFFFAOYSA-N 1 2 367.457 2.812 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)cc1 ZINC000280448323 511470089 /nfs/dbraw/zinc/47/00/89/511470089.db2.gz NMNZIAIPUDPOED-WFXMLNOXSA-N 1 2 371.481 2.510 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCO[C@@]3(CCO[C@H]3C)C2)cc1 ZINC000280448323 511470091 /nfs/dbraw/zinc/47/00/91/511470091.db2.gz NMNZIAIPUDPOED-WFXMLNOXSA-N 1 2 371.481 2.510 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292113711 511470798 /nfs/dbraw/zinc/47/07/98/511470798.db2.gz HHLQCBHLFCGIOV-DOMZBBRYSA-N 1 2 372.375 2.712 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292113711 511470799 /nfs/dbraw/zinc/47/07/99/511470799.db2.gz HHLQCBHLFCGIOV-DOMZBBRYSA-N 1 2 372.375 2.712 20 30 FFEDLO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000272570784 511500288 /nfs/dbraw/zinc/50/02/88/511500288.db2.gz MXDVUEWUKONMKQ-ZDUSSCGKSA-N 1 2 358.442 2.606 20 30 FFEDLO C[C@@H]1CN(c2ccc(NC(=O)C[NH+]3CCC(C)(C#N)CC3)cc2)C[C@@H](C)O1 ZINC000272592672 511501283 /nfs/dbraw/zinc/50/12/83/511501283.db2.gz PQHRWZOILXJATC-IAGOWNOFSA-N 1 2 370.497 2.864 20 30 FFEDLO CSc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccn1 ZINC000299066619 511502949 /nfs/dbraw/zinc/50/29/49/511502949.db2.gz VXSBBOFWNNIUFD-UHFFFAOYSA-N 1 2 352.463 2.633 20 30 FFEDLO C[C@H]1CC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1(C)C ZINC000273575854 511538944 /nfs/dbraw/zinc/53/89/44/511538944.db2.gz CZPRRMMGOPFGTK-DZGCQCFKSA-N 1 2 352.438 2.880 20 30 FFEDLO C[C@H]1CC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1(C)C ZINC000273575854 511538951 /nfs/dbraw/zinc/53/89/51/511538951.db2.gz CZPRRMMGOPFGTK-DZGCQCFKSA-N 1 2 352.438 2.880 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000280704622 511570062 /nfs/dbraw/zinc/57/00/62/511570062.db2.gz LTFBDRNCIGMOKB-MRXNPFEDSA-N 1 2 369.400 2.606 20 30 FFEDLO C=CC[C@@H](CC)NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000280889935 511642729 /nfs/dbraw/zinc/64/27/29/511642729.db2.gz BQVAOUZJYUQEIH-MRXNPFEDSA-N 1 2 358.486 2.743 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000280923272 511654098 /nfs/dbraw/zinc/65/40/98/511654098.db2.gz VGQMGYYLFWEWCI-HXUWFJFHSA-N 1 2 373.460 2.942 20 30 FFEDLO C=CCn1c(Cc2ccccc2)nnc1SCC[N@@H+]1CCO[C@@H](C)C1 ZINC000284311140 511679384 /nfs/dbraw/zinc/67/93/84/511679384.db2.gz SJKNSSNLBHDSMO-INIZCTEOSA-N 1 2 358.511 2.868 20 30 FFEDLO C=CCn1c(Cc2ccccc2)nnc1SCC[N@H+]1CCO[C@@H](C)C1 ZINC000284311140 511679387 /nfs/dbraw/zinc/67/93/87/511679387.db2.gz SJKNSSNLBHDSMO-INIZCTEOSA-N 1 2 358.511 2.868 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cnc4ccc(Cl)cn34)C2)nc1 ZINC000292722313 511697623 /nfs/dbraw/zinc/69/76/23/511697623.db2.gz FMZZTWPFNXWLBQ-MRXNPFEDSA-N 1 2 353.813 2.908 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cnc4ccc(Cl)cn34)C2)nc1 ZINC000292722313 511697628 /nfs/dbraw/zinc/69/76/28/511697628.db2.gz FMZZTWPFNXWLBQ-MRXNPFEDSA-N 1 2 353.813 2.908 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1 ZINC000296348974 511709531 /nfs/dbraw/zinc/70/95/31/511709531.db2.gz INIAISLQAVZULO-INIZCTEOSA-N 1 2 367.453 2.951 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(c3nc[nH]n3)CC2)cc1 ZINC000365918100 511726663 /nfs/dbraw/zinc/72/66/63/511726663.db2.gz HFBGVZUIMRIJSC-MRXNPFEDSA-N 1 2 366.469 2.628 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000363780220 511764309 /nfs/dbraw/zinc/76/43/09/511764309.db2.gz PXCUVIUXMLSDDY-GOSISDBHSA-N 1 2 350.422 2.750 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)c2nc(-c3ccc(OC)cc3)no2)C1=O ZINC000281275853 511784857 /nfs/dbraw/zinc/78/48/57/511784857.db2.gz IFRQNPZQKHSIBH-CZUORRHYSA-N 1 2 356.426 2.525 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2nc(-c3ccc(OC)cc3)no2)C1=O ZINC000281275853 511784863 /nfs/dbraw/zinc/78/48/63/511784863.db2.gz IFRQNPZQKHSIBH-CZUORRHYSA-N 1 2 356.426 2.525 20 30 FFEDLO C[C@@H](c1nccs1)[NH+]1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000274344552 511803707 /nfs/dbraw/zinc/80/37/07/511803707.db2.gz ZVYKDPIMOYZSGP-ZDUSSCGKSA-N 1 2 350.451 2.841 20 30 FFEDLO N#Cc1ncn(-c2ccccc2NC(=O)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000366058895 511814695 /nfs/dbraw/zinc/81/46/95/511814695.db2.gz JPOSCQXGHKWJBO-UHFFFAOYSA-N 1 2 355.361 2.577 20 30 FFEDLO CNS(=O)(=O)c1cccc2c1CC[N@@H+]([C@@H](C)c1ccc(C#N)cc1)C2 ZINC000284667616 511817054 /nfs/dbraw/zinc/81/70/54/511817054.db2.gz GROQERSGCZFGDJ-AWEZNQCLSA-N 1 2 355.463 2.586 20 30 FFEDLO CNS(=O)(=O)c1cccc2c1CC[N@H+]([C@@H](C)c1ccc(C#N)cc1)C2 ZINC000284667616 511817058 /nfs/dbraw/zinc/81/70/58/511817058.db2.gz GROQERSGCZFGDJ-AWEZNQCLSA-N 1 2 355.463 2.586 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cnc(C(F)(F)F)c(C#N)c3)n2)C1 ZINC000293083547 511834040 /nfs/dbraw/zinc/83/40/40/511834040.db2.gz DIJDFEKBZFQXJH-LBPRGKRZSA-N 1 2 367.331 2.804 20 30 FFEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cnc(C(F)(F)F)c(C#N)c3)n2)C1 ZINC000293083547 511834042 /nfs/dbraw/zinc/83/40/42/511834042.db2.gz DIJDFEKBZFQXJH-LBPRGKRZSA-N 1 2 367.331 2.804 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000284747866 511850109 /nfs/dbraw/zinc/85/01/09/511850109.db2.gz JFLCFXPRECJFCX-DJIMGWMZSA-N 1 2 365.271 2.683 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000284747866 511850116 /nfs/dbraw/zinc/85/01/16/511850116.db2.gz JFLCFXPRECJFCX-DJIMGWMZSA-N 1 2 365.271 2.683 20 30 FFEDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)NC1CCOCC1)CC2 ZINC000328622487 511896760 /nfs/dbraw/zinc/89/67/60/511896760.db2.gz BGKJZBQINDAOEB-OAHLLOKOSA-N 1 2 364.515 2.522 20 30 FFEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)NC1CCOCC1)CC2 ZINC000328622487 511896765 /nfs/dbraw/zinc/89/67/65/511896765.db2.gz BGKJZBQINDAOEB-OAHLLOKOSA-N 1 2 364.515 2.522 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000293271435 511902862 /nfs/dbraw/zinc/90/28/62/511902862.db2.gz JHPRPZDWZFWFAI-HXUWFJFHSA-N 1 2 364.445 2.798 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)C1=O ZINC000328816615 511935535 /nfs/dbraw/zinc/93/55/35/511935535.db2.gz NXNGOJFDZHBQBZ-IAGOWNOFSA-N 1 2 357.502 2.819 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)C1=O ZINC000328816615 511935538 /nfs/dbraw/zinc/93/55/38/511935538.db2.gz NXNGOJFDZHBQBZ-IAGOWNOFSA-N 1 2 357.502 2.819 20 30 FFEDLO O=C(Nc1ccccc1O)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000328899591 511947489 /nfs/dbraw/zinc/94/74/89/511947489.db2.gz YZWLWWRVVOUZMN-HNNXBMFYSA-N 1 2 368.437 2.678 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@H]3CCc4[nH]nnc4C3)c2)C[C@H](C)O1 ZINC000329019054 511968475 /nfs/dbraw/zinc/96/84/75/511968475.db2.gz LDISIJXRWUDGJV-LZWOXQAQSA-N 1 2 369.469 2.807 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@H]3CCc4[nH]nnc4C3)c2)C[C@H](C)O1 ZINC000329019054 511968481 /nfs/dbraw/zinc/96/84/81/511968481.db2.gz LDISIJXRWUDGJV-LZWOXQAQSA-N 1 2 369.469 2.807 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@H]3CCc4nn[nH]c4C3)c2)C[C@H](C)O1 ZINC000329019054 511968487 /nfs/dbraw/zinc/96/84/87/511968487.db2.gz LDISIJXRWUDGJV-LZWOXQAQSA-N 1 2 369.469 2.807 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@H]3CCc4nn[nH]c4C3)c2)C[C@H](C)O1 ZINC000329019054 511968494 /nfs/dbraw/zinc/96/84/94/511968494.db2.gz LDISIJXRWUDGJV-LZWOXQAQSA-N 1 2 369.469 2.807 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)CCC2CCOCC2)CCC(=O)N1C1CC1 ZINC000329056342 511974557 /nfs/dbraw/zinc/97/45/57/511974557.db2.gz XYASVAFLAOOUGS-OXQOHEQNSA-N 1 2 374.485 2.778 20 30 FFEDLO O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000329175370 511998768 /nfs/dbraw/zinc/99/87/68/511998768.db2.gz MJLDTRLXJJSIJP-HOCLYGCPSA-N 1 2 359.474 2.784 20 30 FFEDLO O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329188557 512001113 /nfs/dbraw/zinc/00/11/13/512001113.db2.gz BRTSOBULKDVUJQ-MCIONIFRSA-N 1 2 357.414 2.583 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCOCC3(CC3)C2)C[C@H](C)O1 ZINC000329302320 512022929 /nfs/dbraw/zinc/02/29/29/512022929.db2.gz NIVBOEYPNHCBDT-CALCHBBNSA-N 1 2 373.497 2.954 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCOCC3(CC3)C2)C[C@H](C)O1 ZINC000329302320 512022934 /nfs/dbraw/zinc/02/29/34/512022934.db2.gz NIVBOEYPNHCBDT-CALCHBBNSA-N 1 2 373.497 2.954 20 30 FFEDLO Cc1cc(NC(=O)[C@@H]2CCS(=O)(=O)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329316332 512026699 /nfs/dbraw/zinc/02/66/99/512026699.db2.gz CWPYIPYNAALCGK-UONOGXRCSA-N 1 2 351.472 2.792 20 30 FFEDLO C=CC[C@@]1(C(=O)NCc2[nH+]ccn2CC)CCCN1C(=O)OC(C)(C)C ZINC000297148648 512038053 /nfs/dbraw/zinc/03/80/53/512038053.db2.gz IUNIDBGTIUKHPH-IBGZPJMESA-N 1 2 362.474 2.865 20 30 FFEDLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCN2CCOC[C@H]2C1)c1cc2ccccc2o1 ZINC000329465473 512052813 /nfs/dbraw/zinc/05/28/13/512052813.db2.gz VDQWXIOIHPGZKG-YQQAZPJKSA-N 1 2 357.454 2.855 20 30 FFEDLO C[C@H](NC(=O)[C@H](C)[N@H+]1CCN2CCOC[C@H]2C1)c1cc2ccccc2o1 ZINC000329465473 512052821 /nfs/dbraw/zinc/05/28/21/512052821.db2.gz VDQWXIOIHPGZKG-YQQAZPJKSA-N 1 2 357.454 2.855 20 30 FFEDLO C[C@@H]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CCS1 ZINC000329515329 512062598 /nfs/dbraw/zinc/06/25/98/512062598.db2.gz YNEIFHJQCPTCOI-HIFRSBDPSA-N 1 2 352.504 2.629 20 30 FFEDLO Cc1nc(-c2ccccc2)sc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329546202 512067118 /nfs/dbraw/zinc/06/71/18/512067118.db2.gz IBLVXGOBNZEVFJ-CABCVRRESA-N 1 2 358.467 2.679 20 30 FFEDLO Cc1nc(-c2ccccc2)sc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329546202 512067123 /nfs/dbraw/zinc/06/71/23/512067123.db2.gz IBLVXGOBNZEVFJ-CABCVRRESA-N 1 2 358.467 2.679 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000329639172 512080831 /nfs/dbraw/zinc/08/08/31/512080831.db2.gz ZDHFHZXQTLLPLO-PBHICJAKSA-N 1 2 360.845 2.908 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000329639172 512080832 /nfs/dbraw/zinc/08/08/32/512080832.db2.gz ZDHFHZXQTLLPLO-PBHICJAKSA-N 1 2 360.845 2.908 20 30 FFEDLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1=O ZINC000329785422 512097751 /nfs/dbraw/zinc/09/77/51/512097751.db2.gz XAAHEABTNBXJRJ-NWGLXNPWSA-N 1 2 373.522 2.742 20 30 FFEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@H]1CCCc2n[nH]cc21 ZINC000329832475 512102624 /nfs/dbraw/zinc/10/26/24/512102624.db2.gz KWSORLZNJHFGNJ-ZDUSSCGKSA-N 1 2 366.425 2.831 20 30 FFEDLO C[C@H](C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O)[NH+]1CCSCC1 ZINC000329843378 512103335 /nfs/dbraw/zinc/10/33/35/512103335.db2.gz KUDWEZKBJZVWCZ-ZBFHGGJFSA-N 1 2 353.532 2.704 20 30 FFEDLO O=C(C[N@@H+]1CCO[C@@]2(CCOC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000329899655 512106098 /nfs/dbraw/zinc/10/60/98/512106098.db2.gz NCXGBPZTFRNPFZ-NRFANRHFSA-N 1 2 358.482 2.946 20 30 FFEDLO O=C(C[N@H+]1CCO[C@@]2(CCOC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000329899655 512106099 /nfs/dbraw/zinc/10/60/99/512106099.db2.gz NCXGBPZTFRNPFZ-NRFANRHFSA-N 1 2 358.482 2.946 20 30 FFEDLO C[C@@H]1CCCC[C@H]1CNC(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000329897135 512106161 /nfs/dbraw/zinc/10/61/61/512106161.db2.gz CTJJLNACPKCWGN-QZWWFDLISA-N 1 2 365.497 2.662 20 30 FFEDLO Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000375699263 512463038 /nfs/dbraw/zinc/46/30/38/512463038.db2.gz XHKMQDRNAJMZQT-SFHVURJKSA-N 1 2 362.477 2.952 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)CCC2 ZINC000371587451 512480198 /nfs/dbraw/zinc/48/01/98/512480198.db2.gz CXEKPTRIPFYXNG-ZDUSSCGKSA-N 1 2 364.858 2.573 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cs1 ZINC000411373562 512604492 /nfs/dbraw/zinc/60/44/92/512604492.db2.gz IPELKSAJCYCCOR-KRWDZBQOSA-N 1 2 355.463 2.917 20 30 FFEDLO Cc1oc(NC(=O)C[NH+]2CCC(n3cc(Cl)cn3)CC2)c(C#N)c1C ZINC000367852866 512689723 /nfs/dbraw/zinc/68/97/23/512689723.db2.gz DLRGDYNOFYKFFO-UHFFFAOYSA-N 1 2 361.833 2.894 20 30 FFEDLO C[C@H](C(=O)NCc1ccccc1F)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374291644 512749613 /nfs/dbraw/zinc/74/96/13/512749613.db2.gz KYTAOHPNYUVWQI-MRXNPFEDSA-N 1 2 366.440 2.783 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)c(C#N)c1C ZINC000412054739 512934481 /nfs/dbraw/zinc/93/44/81/512934481.db2.gz JETRLIVGAIJEKK-HOCLYGCPSA-N 1 2 372.469 2.572 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](N3CCCC3=O)CC2)c(C#N)c1C ZINC000412054739 512934482 /nfs/dbraw/zinc/93/44/82/512934482.db2.gz JETRLIVGAIJEKK-HOCLYGCPSA-N 1 2 372.469 2.572 20 30 FFEDLO COC(=O)[C@H]1CSCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000412072275 512944894 /nfs/dbraw/zinc/94/48/94/512944894.db2.gz JWLAZONJFTXVOB-CYBMUJFWSA-N 1 2 369.284 2.659 20 30 FFEDLO COC(=O)[C@H]1CSCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000412072275 512944897 /nfs/dbraw/zinc/94/48/97/512944897.db2.gz JWLAZONJFTXVOB-CYBMUJFWSA-N 1 2 369.284 2.659 20 30 FFEDLO C[C@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000412092453 512956525 /nfs/dbraw/zinc/95/65/25/512956525.db2.gz RBVGGBWBQZYHKE-UONOGXRCSA-N 1 2 361.511 2.920 20 30 FFEDLO C[C@H]1[C@@H](CO)CCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000412092453 512956528 /nfs/dbraw/zinc/95/65/28/512956528.db2.gz RBVGGBWBQZYHKE-UONOGXRCSA-N 1 2 361.511 2.920 20 30 FFEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000450318940 513140328 /nfs/dbraw/zinc/14/03/28/513140328.db2.gz KUZNPGNLUUPQTD-QZTJIDSGSA-N 1 2 372.856 2.650 20 30 FFEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000450318940 513140334 /nfs/dbraw/zinc/14/03/34/513140334.db2.gz KUZNPGNLUUPQTD-QZTJIDSGSA-N 1 2 372.856 2.650 20 30 FFEDLO C=CCN(CCC#N)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428845618 513207913 /nfs/dbraw/zinc/20/79/13/513207913.db2.gz LQMYCOBAKUZKJS-UHFFFAOYSA-N 1 2 361.515 2.715 20 30 FFEDLO N#Cc1ccnc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1Cl ZINC000429205856 513304895 /nfs/dbraw/zinc/30/48/95/513304895.db2.gz MMIJACBYZIXMHR-UHFFFAOYSA-N 1 2 369.856 2.544 20 30 FFEDLO Cc1cc(OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)ccc1C#N ZINC000434644506 513377778 /nfs/dbraw/zinc/37/77/78/513377778.db2.gz FZELWCUPPRNVIJ-UHFFFAOYSA-N 1 2 355.463 2.651 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000434673956 513391052 /nfs/dbraw/zinc/39/10/52/513391052.db2.gz GKPBQKFQPRUPSU-IBGZPJMESA-N 1 2 365.408 2.819 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1cn2c(n1)CCCC2 ZINC000429542931 513402845 /nfs/dbraw/zinc/40/28/45/513402845.db2.gz RYBVXQRVGQLICN-IBGZPJMESA-N 1 2 355.482 2.820 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1cn2c(n1)CCCC2 ZINC000429542931 513402848 /nfs/dbraw/zinc/40/28/48/513402848.db2.gz RYBVXQRVGQLICN-IBGZPJMESA-N 1 2 355.482 2.820 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000429542931 513402852 /nfs/dbraw/zinc/40/28/52/513402852.db2.gz RYBVXQRVGQLICN-IBGZPJMESA-N 1 2 355.482 2.820 20 30 FFEDLO Cc1cc(N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C#N)c[nH+]1 ZINC000425200768 513450288 /nfs/dbraw/zinc/45/02/88/513450288.db2.gz LUWSJDSOEAPOFW-UHFFFAOYSA-N 1 2 364.405 2.846 20 30 FFEDLO Cc1cc(NCc2cc(Br)c3c(c2)OCCO3)c(C#N)c[nH+]1 ZINC000425215300 513457338 /nfs/dbraw/zinc/45/73/38/513457338.db2.gz MUBQIWYDNULQAI-UHFFFAOYSA-N 1 2 360.211 2.829 20 30 FFEDLO C[C@@H](O)CNc1cc(NC2CCC(Oc3ccccc3C#N)CC2)nc[nH+]1 ZINC000413133294 513470700 /nfs/dbraw/zinc/47/07/00/513470700.db2.gz BVCQGNZNHXSPAV-ODIFPOPNSA-N 1 2 367.453 2.943 20 30 FFEDLO C[C@@H](O)CNc1cc(NC2CCC(Oc3ccccc3C#N)CC2)[nH+]cn1 ZINC000413133294 513470707 /nfs/dbraw/zinc/47/07/07/513470707.db2.gz BVCQGNZNHXSPAV-ODIFPOPNSA-N 1 2 367.453 2.943 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000441083732 513477985 /nfs/dbraw/zinc/47/79/85/513477985.db2.gz GXECDUCDYROIJB-DNVCBOLYSA-N 1 2 353.507 2.837 20 30 FFEDLO CC[C@@](C)(C(=O)OC)[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC1CC1 ZINC000425508247 513608819 /nfs/dbraw/zinc/60/88/19/513608819.db2.gz GQFNAXNBEUOMRR-IBGZPJMESA-N 1 2 363.502 2.725 20 30 FFEDLO CC[C@@](C)(C(=O)OC)[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC1CC1 ZINC000425508247 513608821 /nfs/dbraw/zinc/60/88/21/513608821.db2.gz GQFNAXNBEUOMRR-IBGZPJMESA-N 1 2 363.502 2.725 20 30 FFEDLO CCOC(=O)[C@H](CC)[N@H+](C1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447877308 513613247 /nfs/dbraw/zinc/61/32/47/513613247.db2.gz HEMUFZFFGSQLSU-OALUTQOASA-N 1 2 369.465 2.860 20 30 FFEDLO CCOC(=O)[C@H](CC)[N@@H+](C1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447877308 513613251 /nfs/dbraw/zinc/61/32/51/513613251.db2.gz HEMUFZFFGSQLSU-OALUTQOASA-N 1 2 369.465 2.860 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451253677 513624497 /nfs/dbraw/zinc/62/44/97/513624497.db2.gz APLUMAUFOGDHCV-BLIXFSHQSA-N 1 2 373.472 2.518 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451253677 513624506 /nfs/dbraw/zinc/62/45/06/513624506.db2.gz APLUMAUFOGDHCV-BLIXFSHQSA-N 1 2 373.472 2.518 20 30 FFEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2c(F)cc(C#N)cc2F)C1 ZINC000418946546 513698730 /nfs/dbraw/zinc/69/87/30/513698730.db2.gz MZOZDVIWPGXIFJ-GOSISDBHSA-N 1 2 351.397 2.737 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@H](O)[C@@H]2C)c1C#N ZINC000451454077 513760085 /nfs/dbraw/zinc/76/00/85/513760085.db2.gz JRTWHZLZUXGLAJ-YJBOKZPZSA-N 1 2 358.486 2.875 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@H](O)[C@@H]2C)c1C#N ZINC000451454077 513760093 /nfs/dbraw/zinc/76/00/93/513760093.db2.gz JRTWHZLZUXGLAJ-YJBOKZPZSA-N 1 2 358.486 2.875 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000451464337 513765933 /nfs/dbraw/zinc/76/59/33/513765933.db2.gz UNJGJVHOGBORHZ-QRQLOZEOSA-N 1 2 358.482 2.709 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000451464337 513765937 /nfs/dbraw/zinc/76/59/37/513765937.db2.gz UNJGJVHOGBORHZ-QRQLOZEOSA-N 1 2 358.482 2.709 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)cc1OC ZINC000425970334 513811140 /nfs/dbraw/zinc/81/11/40/513811140.db2.gz FAXUXDPQPBHUBR-GOSISDBHSA-N 1 2 373.497 2.838 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)cc1OC ZINC000425970334 513811147 /nfs/dbraw/zinc/81/11/47/513811147.db2.gz FAXUXDPQPBHUBR-GOSISDBHSA-N 1 2 373.497 2.838 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c(F)c1 ZINC000436273564 513813269 /nfs/dbraw/zinc/81/32/69/513813269.db2.gz VYDKROVEFNRQSE-RTWAWAEBSA-N 1 2 351.425 2.783 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c(F)c1 ZINC000436273564 513813273 /nfs/dbraw/zinc/81/32/73/513813273.db2.gz VYDKROVEFNRQSE-RTWAWAEBSA-N 1 2 351.425 2.783 20 30 FFEDLO N#Cc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c(F)c1 ZINC000436273564 513813277 /nfs/dbraw/zinc/81/32/77/513813277.db2.gz VYDKROVEFNRQSE-RTWAWAEBSA-N 1 2 351.425 2.783 20 30 FFEDLO N#Cc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c(F)c1 ZINC000436273564 513813280 /nfs/dbraw/zinc/81/32/80/513813280.db2.gz VYDKROVEFNRQSE-RTWAWAEBSA-N 1 2 351.425 2.783 20 30 FFEDLO C[C@@H](c1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1)[NH+]1CCOCC1 ZINC000442961829 513829143 /nfs/dbraw/zinc/82/91/43/513829143.db2.gz JMIQUSHRJJKHKL-AWEZNQCLSA-N 1 2 351.406 2.909 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCC2(C#N)CCC2)[C@H](C)C1 ZINC000419634872 513865207 /nfs/dbraw/zinc/86/52/07/513865207.db2.gz FMEOODCYEPTZQA-QGZVFWFLSA-N 1 2 370.497 2.995 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCC2(C#N)CCC2)[C@H](C)C1 ZINC000419634872 513865212 /nfs/dbraw/zinc/86/52/12/513865212.db2.gz FMEOODCYEPTZQA-QGZVFWFLSA-N 1 2 370.497 2.995 20 30 FFEDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000451651134 513889656 /nfs/dbraw/zinc/88/96/56/513889656.db2.gz DRGZEHNYOKHLJN-MRXNPFEDSA-N 1 2 359.413 2.956 20 30 FFEDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000451651134 513889661 /nfs/dbraw/zinc/88/96/61/513889661.db2.gz DRGZEHNYOKHLJN-MRXNPFEDSA-N 1 2 359.413 2.956 20 30 FFEDLO C=CCC1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCCCC1 ZINC000448772982 513891221 /nfs/dbraw/zinc/89/12/21/513891221.db2.gz FURMQGAAVFRBRF-IBGZPJMESA-N 1 2 352.544 2.837 20 30 FFEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)c2ccc(C#N)n2C)CC1 ZINC000451661621 513895648 /nfs/dbraw/zinc/89/56/48/513895648.db2.gz IHSATURHYHIVKU-UHFFFAOYSA-N 1 2 356.857 2.817 20 30 FFEDLO CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cccc(C[NH+](C)C)c2)n1 ZINC000436696638 513948093 /nfs/dbraw/zinc/94/80/93/513948093.db2.gz JVCVCRKXIQKYDJ-AWEZNQCLSA-N 1 2 357.435 2.871 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(NC(=O)c2ccsc2)cc1 ZINC000414147507 513989437 /nfs/dbraw/zinc/98/94/37/513989437.db2.gz MKWHLHIMWIKWIQ-MRXNPFEDSA-N 1 2 359.451 2.586 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(NC(=O)c2ccsc2)cc1 ZINC000414147507 513989444 /nfs/dbraw/zinc/98/94/44/513989444.db2.gz MKWHLHIMWIKWIQ-MRXNPFEDSA-N 1 2 359.451 2.586 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000443639772 514011320 /nfs/dbraw/zinc/01/13/20/514011320.db2.gz LOQLZSROFDNKRJ-KBPBESRZSA-N 1 2 365.861 2.584 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000443639772 514011323 /nfs/dbraw/zinc/01/13/23/514011323.db2.gz LOQLZSROFDNKRJ-KBPBESRZSA-N 1 2 365.861 2.584 20 30 FFEDLO CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H](C)CS(=O)(=O)CC ZINC000437142555 514099945 /nfs/dbraw/zinc/09/99/45/514099945.db2.gz IZUYHEADUFARNA-LBPRGKRZSA-N 1 2 360.426 2.805 20 30 FFEDLO CC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H](C)CS(=O)(=O)CC ZINC000437142555 514099950 /nfs/dbraw/zinc/09/99/50/514099950.db2.gz IZUYHEADUFARNA-LBPRGKRZSA-N 1 2 360.426 2.805 20 30 FFEDLO C[C@@H](O)[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000414583978 514192971 /nfs/dbraw/zinc/19/29/71/514192971.db2.gz MMAASAQMWSHGOF-IERDGZPVSA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@@H](O)[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000414583978 514192977 /nfs/dbraw/zinc/19/29/77/514192977.db2.gz MMAASAQMWSHGOF-IERDGZPVSA-N 1 2 352.434 2.719 20 30 FFEDLO CC(C)[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000417416966 514341754 /nfs/dbraw/zinc/34/17/54/514341754.db2.gz JCICAAWWAKWTCN-INIZCTEOSA-N 1 2 368.403 2.972 20 30 FFEDLO C=CCn1cc(C[NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)nn1 ZINC000424173490 514406870 /nfs/dbraw/zinc/40/68/70/514406870.db2.gz QACYAIHSSCXYPN-UHFFFAOYSA-N 1 2 356.348 2.704 20 30 FFEDLO C=CC[N@@H+](Cc1nnc(C(C)C)[nH]1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000428247093 514432335 /nfs/dbraw/zinc/43/23/35/514432335.db2.gz IWRFFRKHHGQLLK-AWEZNQCLSA-N 1 2 352.446 2.653 20 30 FFEDLO C=CC[N@H+](Cc1nnc(C(C)C)[nH]1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000428247093 514432341 /nfs/dbraw/zinc/43/23/41/514432341.db2.gz IWRFFRKHHGQLLK-AWEZNQCLSA-N 1 2 352.446 2.653 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000455468181 514541875 /nfs/dbraw/zinc/54/18/75/514541875.db2.gz NJBXWDVWBKIWGS-PBHICJAKSA-N 1 2 353.426 2.619 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000439443243 514553533 /nfs/dbraw/zinc/55/35/33/514553533.db2.gz ALWMFRODWOKNSQ-UYAOXDASSA-N 1 2 364.449 2.652 20 30 FFEDLO Cc1cncc(-c2nc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)no2)c1 ZINC000450242768 514560754 /nfs/dbraw/zinc/56/07/54/514560754.db2.gz PRTRSBAECGDSMU-UHFFFAOYSA-N 1 2 374.448 2.630 20 30 FFEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1F ZINC000455536252 514578572 /nfs/dbraw/zinc/57/85/72/514578572.db2.gz IBBTUDPRFDIVTH-UHFFFAOYSA-N 1 2 370.403 2.864 20 30 FFEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000508043175 514645447 /nfs/dbraw/zinc/64/54/47/514645447.db2.gz IKSJIOQQUGNKIC-IBGZPJMESA-N 1 2 370.497 2.704 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cc1 ZINC000470936320 514681181 /nfs/dbraw/zinc/68/11/81/514681181.db2.gz ZMCMVOANSJOIFZ-OXJNMPFZSA-N 1 2 371.481 2.831 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cc1 ZINC000470936320 514681188 /nfs/dbraw/zinc/68/11/88/514681188.db2.gz ZMCMVOANSJOIFZ-OXJNMPFZSA-N 1 2 371.481 2.831 20 30 FFEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455700278 514691217 /nfs/dbraw/zinc/69/12/17/514691217.db2.gz AODYJHMZLBFUCG-ZFWWWQNUSA-N 1 2 362.861 2.733 20 30 FFEDLO C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000471156743 514773617 /nfs/dbraw/zinc/77/36/17/514773617.db2.gz MDRDURTXRAKUDU-UCAOZASHSA-N 1 2 368.525 2.952 20 30 FFEDLO C[C@H](C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)c1cccc(C#N)c1 ZINC000461911351 514783030 /nfs/dbraw/zinc/78/30/30/514783030.db2.gz RCYNDSODSQHDDX-HOTGVXAUSA-N 1 2 364.449 2.598 20 30 FFEDLO N#CCCN(CCOc1cc(Cl)cc(Cl)c1)CC[NH+]1CCOCC1 ZINC000471221817 514804920 /nfs/dbraw/zinc/80/49/20/514804920.db2.gz XZRMWMZLTKFFLN-UHFFFAOYSA-N 1 2 372.296 2.920 20 30 FFEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000475892779 514846535 /nfs/dbraw/zinc/84/65/35/514846535.db2.gz QDCAQWAFRXLYNG-CYBMUJFWSA-N 1 2 356.394 2.640 20 30 FFEDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000475892779 514846538 /nfs/dbraw/zinc/84/65/38/514846538.db2.gz QDCAQWAFRXLYNG-CYBMUJFWSA-N 1 2 356.394 2.640 20 30 FFEDLO COCC[N@H+](Cc1cc(C#N)ccc1Br)[C@H]1CCO[C@@H]1C ZINC000489457099 514854404 /nfs/dbraw/zinc/85/44/04/514854404.db2.gz BDOWCRJRIGQUTF-WBMJQRKESA-N 1 2 353.260 2.947 20 30 FFEDLO COCC[N@@H+](Cc1cc(C#N)ccc1Br)[C@H]1CCO[C@@H]1C ZINC000489457099 514854409 /nfs/dbraw/zinc/85/44/09/514854409.db2.gz BDOWCRJRIGQUTF-WBMJQRKESA-N 1 2 353.260 2.947 20 30 FFEDLO C=CCn1c(CC2CC2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000508803387 514898188 /nfs/dbraw/zinc/89/81/88/514898188.db2.gz XBFYZYJTGHHUIC-UHFFFAOYSA-N 1 2 358.515 2.504 20 30 FFEDLO C=CCC[C@H](NC(=O)C(=O)NCc1[nH+]ccn1CC(C)C)c1ccccc1 ZINC000508812682 514902402 /nfs/dbraw/zinc/90/24/02/514902402.db2.gz RDEVTESOHRVPMA-SFHVURJKSA-N 1 2 368.481 2.979 20 30 FFEDLO N#Cc1ccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)[nH]1 ZINC000485122763 514923249 /nfs/dbraw/zinc/92/32/49/514923249.db2.gz HWEWVTXPAVKYNC-UHFFFAOYSA-N 1 2 359.393 2.775 20 30 FFEDLO COCC1(C#N)CC[NH+]([C@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)CC1 ZINC000503268412 514986274 /nfs/dbraw/zinc/98/62/74/514986274.db2.gz VRCGBMANTBOIDR-OAHLLOKOSA-N 1 2 367.453 2.656 20 30 FFEDLO CC[C@H]1C[N@H+](CCNC(=O)N[C@H](CCCC#N)c2ccccc2)CCO1 ZINC000458828057 515123224 /nfs/dbraw/zinc/12/32/24/515123224.db2.gz DRVRODWDXQTEGL-RBUKOAKNSA-N 1 2 358.486 2.832 20 30 FFEDLO CC[C@H]1C[N@@H+](CCNC(=O)N[C@H](CCCC#N)c2ccccc2)CCO1 ZINC000458828057 515123230 /nfs/dbraw/zinc/12/32/30/515123230.db2.gz DRVRODWDXQTEGL-RBUKOAKNSA-N 1 2 358.486 2.832 20 30 FFEDLO COC(=O)c1ccccc1CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000480891289 515126525 /nfs/dbraw/zinc/12/65/25/515126525.db2.gz VJHCSTOUWSHPKK-FQEVSTJZSA-N 1 2 350.418 2.961 20 30 FFEDLO COC(=O)c1ccccc1CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000480891289 515126532 /nfs/dbraw/zinc/12/65/32/515126532.db2.gz VJHCSTOUWSHPKK-FQEVSTJZSA-N 1 2 350.418 2.961 20 30 FFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458831247 515127553 /nfs/dbraw/zinc/12/75/53/515127553.db2.gz GXSNHTHCWMDZIN-MISYRCLQSA-N 1 2 370.497 2.926 20 30 FFEDLO C[C@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 ZINC000462682896 515188754 /nfs/dbraw/zinc/18/87/54/515188754.db2.gz RMGWQXPTGLAKSR-OAHLLOKOSA-N 1 2 367.540 2.840 20 30 FFEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000472348521 515237896 /nfs/dbraw/zinc/23/78/96/515237896.db2.gz JCEPFCRNQVRYTC-MSOLQXFVSA-N 1 2 367.453 2.830 20 30 FFEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000472348521 515237905 /nfs/dbraw/zinc/23/79/05/515237905.db2.gz JCEPFCRNQVRYTC-MSOLQXFVSA-N 1 2 367.453 2.830 20 30 FFEDLO N#Cc1ccc(NC(=O)CN2CCc3c([nH+]cn3-c3ccccc3)C2)cc1 ZINC000481197136 515243605 /nfs/dbraw/zinc/24/36/05/515243605.db2.gz LFWVNCGONWJYFO-UHFFFAOYSA-N 1 2 357.417 2.741 20 30 FFEDLO C=CCOc1ccccc1CNc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000462828648 515261440 /nfs/dbraw/zinc/26/14/40/515261440.db2.gz XZXKANCULFEZID-UHFFFAOYSA-N 1 2 351.450 2.795 20 30 FFEDLO C=CCOc1ccccc1CNc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000462828648 515261447 /nfs/dbraw/zinc/26/14/47/515261447.db2.gz XZXKANCULFEZID-UHFFFAOYSA-N 1 2 351.450 2.795 20 30 FFEDLO C=CCCc1ccccc1NC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000505057680 515438046 /nfs/dbraw/zinc/43/80/46/515438046.db2.gz JZWDDIPIFJSXBM-MRXNPFEDSA-N 1 2 370.497 2.622 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)CO ZINC000459301324 515456776 /nfs/dbraw/zinc/45/67/76/515456776.db2.gz CTQZVFDTWJZAFT-AWEZNQCLSA-N 1 2 361.833 2.826 20 30 FFEDLO N#Cc1ccc(F)c(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000491822983 515471750 /nfs/dbraw/zinc/47/17/50/515471750.db2.gz VGENTFJNUHNTOI-UHFFFAOYSA-N 1 2 350.357 2.659 20 30 FFEDLO CCc1nsc(N2CCC[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)n1 ZINC000459356477 515495634 /nfs/dbraw/zinc/49/56/34/515495634.db2.gz KWELFETWTYARAQ-UHFFFAOYSA-N 1 2 372.454 2.593 20 30 FFEDLO CCc1nsc(N2CCC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)n1 ZINC000459356477 515495643 /nfs/dbraw/zinc/49/56/43/515495643.db2.gz KWELFETWTYARAQ-UHFFFAOYSA-N 1 2 372.454 2.593 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C1=O ZINC000499985842 515548678 /nfs/dbraw/zinc/54/86/78/515548678.db2.gz FVAQYJWDIKRADX-WMLDXEAASA-N 1 2 363.889 2.578 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C1=O ZINC000499985842 515548688 /nfs/dbraw/zinc/54/86/88/515548688.db2.gz FVAQYJWDIKRADX-WMLDXEAASA-N 1 2 363.889 2.578 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000459475793 515579121 /nfs/dbraw/zinc/57/91/21/515579121.db2.gz QKRIIBSDCGATTP-LJQANCHMSA-N 1 2 366.421 2.630 20 30 FFEDLO C=CCNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000505704221 515638955 /nfs/dbraw/zinc/63/89/55/515638955.db2.gz BLPVBTHOYREDAB-UHFFFAOYSA-N 1 2 353.220 2.636 20 30 FFEDLO N#CC1(F)CC[NH+](CC(=O)NCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000510888534 515702204 /nfs/dbraw/zinc/70/22/04/515702204.db2.gz WSQXIXFPSULUGH-UHFFFAOYSA-N 1 2 373.350 2.528 20 30 FFEDLO Cn1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C(C)(C)C)n1 ZINC000510887724 515702983 /nfs/dbraw/zinc/70/29/83/515702983.db2.gz QNQWXOUNARCPKX-UHFFFAOYSA-N 1 2 365.481 2.547 20 30 FFEDLO N#CC1(F)CC[NH+](CC(=O)NCc2cccc(OCC(F)(F)F)c2)CC1 ZINC000510944039 515721918 /nfs/dbraw/zinc/72/19/18/515721918.db2.gz DGLWAZLSSDLMID-UHFFFAOYSA-N 1 2 373.350 2.572 20 30 FFEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+][C@H](C)C(=O)NC3(C#N)CCC3)n2)cc1 ZINC000469337983 515774914 /nfs/dbraw/zinc/77/49/14/515774914.db2.gz ZZMYOGZRBBEQNC-ZIAGYGMSSA-N 1 2 367.453 2.901 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(O)ccc3Br)CC2)c1 ZINC000506691617 515955496 /nfs/dbraw/zinc/95/54/96/515955496.db2.gz XBFTZZRSYRNXDG-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO C[C@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@]2(CCOC2)O1 ZINC000483186040 515972405 /nfs/dbraw/zinc/97/24/05/515972405.db2.gz OYQZIVUSGLLLJQ-WMLDXEAASA-N 1 2 355.356 2.817 20 30 FFEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@]2(CCOC2)O1 ZINC000483186040 515972410 /nfs/dbraw/zinc/97/24/10/515972410.db2.gz OYQZIVUSGLLLJQ-WMLDXEAASA-N 1 2 355.356 2.817 20 30 FFEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)NCC(C)(C)C#N)c2ccc(Cl)cc2)C1 ZINC000501112911 515985432 /nfs/dbraw/zinc/98/54/32/515985432.db2.gz VBJKIAVVEQIJEV-HZPDHXFCSA-N 1 2 364.877 2.561 20 30 FFEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)NCC(C)(C)C#N)c2ccc(Cl)cc2)C1 ZINC000501112911 515985442 /nfs/dbraw/zinc/98/54/42/515985442.db2.gz VBJKIAVVEQIJEV-HZPDHXFCSA-N 1 2 364.877 2.561 20 30 FFEDLO COCc1ccccc1/C=C(/C)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000506805944 515992606 /nfs/dbraw/zinc/99/26/06/515992606.db2.gz MFDHYHKTHVPVPP-MNDPQUGUSA-N 1 2 357.498 2.784 20 30 FFEDLO COCc1ccccc1/C=C(/C)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000506805944 515992617 /nfs/dbraw/zinc/99/26/17/515992617.db2.gz MFDHYHKTHVPVPP-MNDPQUGUSA-N 1 2 357.498 2.784 20 30 FFEDLO COCc1ccccc1/C=C(/C)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000506805944 515992629 /nfs/dbraw/zinc/99/26/29/515992629.db2.gz MFDHYHKTHVPVPP-MNDPQUGUSA-N 1 2 357.498 2.784 20 30 FFEDLO CCOc1cc(C[N@H+](CC)C[C@H](C)C#N)nc2nc(C(F)(F)F)nn21 ZINC000478970860 516022577 /nfs/dbraw/zinc/02/25/77/516022577.db2.gz FXIRRDBBDWUPGF-SNVBAGLBSA-N 1 2 356.352 2.523 20 30 FFEDLO CCOc1cc(C[N@@H+](CC)C[C@H](C)C#N)nc2nc(C(F)(F)F)nn21 ZINC000478970860 516022586 /nfs/dbraw/zinc/02/25/86/516022586.db2.gz FXIRRDBBDWUPGF-SNVBAGLBSA-N 1 2 356.352 2.523 20 30 FFEDLO CCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000478988911 516026014 /nfs/dbraw/zinc/02/60/14/516026014.db2.gz VUZXFDAQCHYLQA-INIZCTEOSA-N 1 2 359.413 2.956 20 30 FFEDLO CCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000478988911 516026019 /nfs/dbraw/zinc/02/60/19/516026019.db2.gz VUZXFDAQCHYLQA-INIZCTEOSA-N 1 2 359.413 2.956 20 30 FFEDLO Cc1ccc(-c2noc(C[NH+]3CCN(c4ccc(C#N)c(C)n4)CC3)n2)cc1 ZINC000487903310 516026639 /nfs/dbraw/zinc/02/66/39/516026639.db2.gz BIZZNMJAOZTVEK-UHFFFAOYSA-N 1 2 374.448 2.942 20 30 FFEDLO COc1ccc([C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)c2[nH+]ccn2C)cc1 ZINC000455286245 516094976 /nfs/dbraw/zinc/09/49/76/516094976.db2.gz XLNTUHDJUHHNJA-ZVZYQTTQSA-N 1 2 367.453 2.900 20 30 FFEDLO CC(C)N(C(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1)C(C)C ZINC000507177673 516112507 /nfs/dbraw/zinc/11/25/07/516112507.db2.gz GREAPFCNFPCOSO-INIZCTEOSA-N 1 2 360.477 2.853 20 30 FFEDLO N#Cc1ncn(CC[NH2+][C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)n1 ZINC000507264123 516147422 /nfs/dbraw/zinc/14/74/22/516147422.db2.gz CTMZULUGCKHELO-GOSISDBHSA-N 1 2 371.404 2.579 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000507279022 516153852 /nfs/dbraw/zinc/15/38/52/516153852.db2.gz AEZWCWZITDROQJ-NQIIRXRSSA-N 1 2 366.509 2.861 20 30 FFEDLO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000470173097 516160461 /nfs/dbraw/zinc/16/04/61/516160461.db2.gz HUIQUFOGHNRVKB-VKAVYKQESA-N 1 2 358.442 2.546 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)NCC(C)(C)CCC#N)[NH+]2CCOCC2)c1 ZINC000479352711 516161294 /nfs/dbraw/zinc/16/12/94/516161294.db2.gz YAQPEVUARDOIGZ-IBGZPJMESA-N 1 2 372.513 2.998 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)c1[nH]c(C)c(C(=O)OC)c1C)Cc1ccc(CO)o1 ZINC000512177654 516184619 /nfs/dbraw/zinc/18/46/19/516184619.db2.gz HFQKMUMWDSZVGN-UHFFFAOYSA-N 1 2 374.437 2.764 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)c1[nH]c(C)c(C(=O)OC)c1C)Cc1ccc(CO)o1 ZINC000512177654 516184632 /nfs/dbraw/zinc/18/46/32/516184632.db2.gz HFQKMUMWDSZVGN-UHFFFAOYSA-N 1 2 374.437 2.764 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccc(OC)c(OC)c1)Cc1ccc(CO)o1 ZINC000512226642 516202139 /nfs/dbraw/zinc/20/21/39/516202139.db2.gz JYRHACXUDLHWKB-UHFFFAOYSA-N 1 2 374.437 2.806 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)Nc1ccc(OC)c(OC)c1)Cc1ccc(CO)o1 ZINC000512226642 516202145 /nfs/dbraw/zinc/20/21/45/516202145.db2.gz JYRHACXUDLHWKB-UHFFFAOYSA-N 1 2 374.437 2.806 20 30 FFEDLO C=C(C)COCCNC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000474811491 516202961 /nfs/dbraw/zinc/20/29/61/516202961.db2.gz RUNYUGZFYHUKDB-UHFFFAOYSA-N 1 2 351.516 2.730 20 30 FFEDLO C=CCn1cccc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000488489398 516238789 /nfs/dbraw/zinc/23/87/89/516238789.db2.gz PUZDAOPGKLVQOD-HOTGVXAUSA-N 1 2 354.454 2.613 20 30 FFEDLO CC1(C)C[N@H+](CCNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCO1 ZINC000465812562 516265255 /nfs/dbraw/zinc/26/52/55/516265255.db2.gz VOISHVXHYNITPL-OALUTQOASA-N 1 2 370.497 2.579 20 30 FFEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCO1 ZINC000465812562 516265258 /nfs/dbraw/zinc/26/52/58/516265258.db2.gz VOISHVXHYNITPL-OALUTQOASA-N 1 2 370.497 2.579 20 30 FFEDLO C[N@@H+]1CCc2nc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)sc2C1 ZINC000507737873 516291111 /nfs/dbraw/zinc/29/11/11/516291111.db2.gz DPJYTHHFRZSSLR-UHFFFAOYSA-N 1 2 356.426 2.812 20 30 FFEDLO C[N@H+]1CCc2nc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)sc2C1 ZINC000507737873 516291116 /nfs/dbraw/zinc/29/11/16/516291116.db2.gz DPJYTHHFRZSSLR-UHFFFAOYSA-N 1 2 356.426 2.812 20 30 FFEDLO CCc1c[nH+]ccc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000512575111 516308066 /nfs/dbraw/zinc/30/80/66/516308066.db2.gz VXISLJDNECGHFZ-UHFFFAOYSA-N 1 2 352.413 2.932 20 30 FFEDLO Cc1ccc(OCC(=O)N2CC[NH+](Cc3cc(C#N)cs3)CC2)cc1 ZINC000512594705 516310887 /nfs/dbraw/zinc/31/08/87/516310887.db2.gz CVPJYBNMETUICZ-UHFFFAOYSA-N 1 2 355.463 2.651 20 30 FFEDLO Cc1cc(C(=O)N2CC[NH+](CCOc3ccccc3C#N)CC2)c(C)o1 ZINC000497490170 516323781 /nfs/dbraw/zinc/32/37/81/516323781.db2.gz VYPFXCHHASHVMU-UHFFFAOYSA-N 1 2 353.422 2.605 20 30 FFEDLO COC(=O)c1cccc(C#Cc2cccc(NC(=O)Cc3c[nH+]cn3C)c2)c1 ZINC000547539744 516396603 /nfs/dbraw/zinc/39/66/03/516396603.db2.gz BIPNGQHHOFEZLJ-UHFFFAOYSA-N 1 2 373.412 2.788 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000528414051 516417956 /nfs/dbraw/zinc/41/79/56/516417956.db2.gz OYXKESPPPPSBMI-INIZCTEOSA-N 1 2 365.408 2.977 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000528414051 516417964 /nfs/dbraw/zinc/41/79/64/516417964.db2.gz OYXKESPPPPSBMI-INIZCTEOSA-N 1 2 365.408 2.977 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)c(F)c1 ZINC000561308349 516514037 /nfs/dbraw/zinc/51/40/37/516514037.db2.gz OOEGZILFIYUPJV-OAHLLOKOSA-N 1 2 368.412 2.526 20 30 FFEDLO C=CCOC[C@H]([NH2+][C@@H]1CCc2cccc(Br)c2C1)C(=O)OC ZINC000513405762 516609430 /nfs/dbraw/zinc/60/94/30/516609430.db2.gz IMWHWBJEHOLMTN-CJNGLKHVSA-N 1 2 368.271 2.640 20 30 FFEDLO N#Cc1ccc(C2([NH2+]Cc3nc(-c4ccco4)no3)CCOCC2)cc1 ZINC000528781113 516691531 /nfs/dbraw/zinc/69/15/31/516691531.db2.gz FHHBDZCQDTZOQP-UHFFFAOYSA-N 1 2 350.378 2.997 20 30 FFEDLO C=CCSCCNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000513641042 516701665 /nfs/dbraw/zinc/70/16/65/516701665.db2.gz VSVAAHBJFNGNMW-UHFFFAOYSA-N 1 2 357.435 2.848 20 30 FFEDLO N#CCc1ccc(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)cc1 ZINC000536275218 516703580 /nfs/dbraw/zinc/70/35/80/516703580.db2.gz KPLHELLCCPEPCE-UHFFFAOYSA-N 1 2 361.405 2.718 20 30 FFEDLO C=CCn1c(COc2ccccc2)nnc1SCC[N@H+]1CCOC[C@H]1C ZINC000551450846 516713790 /nfs/dbraw/zinc/71/37/90/516713790.db2.gz SBIJHZZUHRCCMA-MRXNPFEDSA-N 1 2 374.510 2.856 20 30 FFEDLO C=CCn1c(COc2ccccc2)nnc1SCC[N@@H+]1CCOC[C@H]1C ZINC000551450846 516713802 /nfs/dbraw/zinc/71/38/02/516713802.db2.gz SBIJHZZUHRCCMA-MRXNPFEDSA-N 1 2 374.510 2.856 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000548123095 516780242 /nfs/dbraw/zinc/78/02/42/516780242.db2.gz HIVLQWZJHAIJNN-QGZVFWFLSA-N 1 2 372.494 2.903 20 30 FFEDLO N#Cc1ccc(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)s1 ZINC000558693634 516892704 /nfs/dbraw/zinc/89/27/04/516892704.db2.gz KMNMZGSFQYPUER-HNNXBMFYSA-N 1 2 357.504 2.967 20 30 FFEDLO N#Cc1ccc(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)s1 ZINC000558693634 516892714 /nfs/dbraw/zinc/89/27/14/516892714.db2.gz KMNMZGSFQYPUER-HNNXBMFYSA-N 1 2 357.504 2.967 20 30 FFEDLO C=CCC[C@@H](C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N)c1ccccc1 ZINC000548318007 516895454 /nfs/dbraw/zinc/89/54/54/516895454.db2.gz WHDPFQYQZJMRDG-MRXNPFEDSA-N 1 2 351.454 2.544 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541165393 516908706 /nfs/dbraw/zinc/90/87/06/516908706.db2.gz ZOAGSRGEDKDROQ-RHSMWYFYSA-N 1 2 362.355 2.869 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541165393 516908711 /nfs/dbraw/zinc/90/87/11/516908711.db2.gz ZOAGSRGEDKDROQ-RHSMWYFYSA-N 1 2 362.355 2.869 20 30 FFEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000525120289 516922497 /nfs/dbraw/zinc/92/24/97/516922497.db2.gz KHTOIJXNTAYHCY-NRFANRHFSA-N 1 2 350.437 2.935 20 30 FFEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000525120289 516922506 /nfs/dbraw/zinc/92/25/06/516922506.db2.gz KHTOIJXNTAYHCY-NRFANRHFSA-N 1 2 350.437 2.935 20 30 FFEDLO N#CCc1ccc(CS(=O)(=O)Cc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000541286800 516968540 /nfs/dbraw/zinc/96/85/40/516968540.db2.gz UVIHOTSUNJOQMJ-UHFFFAOYSA-N 1 2 357.357 2.626 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1C#N ZINC000562387631 517072503 /nfs/dbraw/zinc/07/25/03/517072503.db2.gz XDVNVRXJDLBERM-SIFCLUCFSA-N 1 2 358.438 2.503 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1C#N ZINC000562387631 517072515 /nfs/dbraw/zinc/07/25/15/517072515.db2.gz XDVNVRXJDLBERM-SIFCLUCFSA-N 1 2 358.438 2.503 20 30 FFEDLO COC(=O)c1oc([C@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)cc1C ZINC000559259290 517136169 /nfs/dbraw/zinc/13/61/69/517136169.db2.gz YWIRDHHDJXFGIV-AWEZNQCLSA-N 1 2 354.410 2.525 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc(C#N)c(OC)c1 ZINC000519756695 517164833 /nfs/dbraw/zinc/16/48/33/517164833.db2.gz CQYDPMCYOSYIKO-UHFFFAOYSA-N 1 2 369.469 2.948 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000541682470 517170612 /nfs/dbraw/zinc/17/06/12/517170612.db2.gz RZSYNFNYTXWWFK-MDOVXXIYSA-N 1 2 369.469 2.754 20 30 FFEDLO C=CCCCCCN(C)C(=O)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000559459048 517266412 /nfs/dbraw/zinc/26/64/12/517266412.db2.gz VZYVLFDRZIJHIP-UHFFFAOYSA-N 1 2 356.470 2.666 20 30 FFEDLO C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000545502193 517270288 /nfs/dbraw/zinc/27/02/88/517270288.db2.gz CMGWHDFRISQORU-ZDUSSCGKSA-N 1 2 366.450 2.948 20 30 FFEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1C ZINC000545506079 517270960 /nfs/dbraw/zinc/27/09/60/517270960.db2.gz HQEOSXAYNPBCCT-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO CCN(C(=O)[C@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1)c1ccccc1 ZINC000545504439 517271694 /nfs/dbraw/zinc/27/16/94/517271694.db2.gz NCGRASBKSYHJHH-KRWDZBQOSA-N 1 2 363.465 2.517 20 30 FFEDLO Cc1[nH+]c2cc(C)ccn2c1CN1CCN(C(=O)C2(C#N)CC(C)C2)CC1 ZINC000541898403 517282989 /nfs/dbraw/zinc/28/29/89/517282989.db2.gz HKONOFSBOSILKG-UHFFFAOYSA-N 1 2 365.481 2.535 20 30 FFEDLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(C(=O)C2(C#N)CC(C)C2)CC1 ZINC000541898403 517282993 /nfs/dbraw/zinc/28/29/93/517282993.db2.gz HKONOFSBOSILKG-UHFFFAOYSA-N 1 2 365.481 2.535 20 30 FFEDLO Cc1cc(C#N)cnc1C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000559540186 517308599 /nfs/dbraw/zinc/30/85/99/517308599.db2.gz BUQCEOPXABZQQN-OAHLLOKOSA-N 1 2 352.413 2.920 20 30 FFEDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000559697055 517379386 /nfs/dbraw/zinc/37/93/86/517379386.db2.gz VFRGSVUWBHHNHQ-UHFFFAOYSA-N 1 2 373.482 2.601 20 30 FFEDLO N#Cc1cc(C(=O)NCCc2cn3ccccc3[nH+]2)cnc1C(F)(F)F ZINC000549139293 517418706 /nfs/dbraw/zinc/41/87/06/517418706.db2.gz DYVGTIMROXJAME-UHFFFAOYSA-N 1 2 359.311 2.592 20 30 FFEDLO COc1ccc([C@H](CCO)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000538128908 517474544 /nfs/dbraw/zinc/47/45/44/517474544.db2.gz VWWRKQVPYSEJOS-SFHVURJKSA-N 1 2 364.405 2.830 20 30 FFEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)n1cnc2ccccc21 ZINC000533510397 517498740 /nfs/dbraw/zinc/49/87/40/517498740.db2.gz YFCVLQHQUQQWMC-KRWDZBQOSA-N 1 2 373.460 2.813 20 30 FFEDLO C=CCn1c(SCC[N@@H+]2CCO[C@@H](C)C2)nnc1-c1cccc(OC)c1 ZINC000559998300 517524111 /nfs/dbraw/zinc/52/41/11/517524111.db2.gz RLQGKIAIFXEHQF-HNNXBMFYSA-N 1 2 374.510 2.953 20 30 FFEDLO C=CCn1c(SCC[N@H+]2CCO[C@@H](C)C2)nnc1-c1cccc(OC)c1 ZINC000559998300 517524122 /nfs/dbraw/zinc/52/41/22/517524122.db2.gz RLQGKIAIFXEHQF-HNNXBMFYSA-N 1 2 374.510 2.953 20 30 FFEDLO C=CCOc1cccnc1C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000538251673 517524498 /nfs/dbraw/zinc/52/44/98/517524498.db2.gz PALVFVJNUMJOTI-UHFFFAOYSA-N 1 2 351.450 2.913 20 30 FFEDLO COc1ccc(Cl)cc1C[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000521194350 517644209 /nfs/dbraw/zinc/64/42/09/517644209.db2.gz LEMRECUIXLVCLK-UHFFFAOYSA-N 1 2 357.841 2.968 20 30 FFEDLO COc1ccc(Cl)cc1C[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000521194350 517644216 /nfs/dbraw/zinc/64/42/16/517644216.db2.gz LEMRECUIXLVCLK-UHFFFAOYSA-N 1 2 357.841 2.968 20 30 FFEDLO C=CC[C@@H](CC)NC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000538502095 517645530 /nfs/dbraw/zinc/64/55/30/517645530.db2.gz VWMXHVSNVODMPO-HZPDHXFCSA-N 1 2 350.532 2.691 20 30 FFEDLO Cc1cc[nH+]cc1N1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000533922170 517670642 /nfs/dbraw/zinc/67/06/42/517670642.db2.gz LCOQIWDUKOIEIC-UHFFFAOYSA-N 1 2 369.856 2.676 20 30 FFEDLO N#CCc1cc[nH+]c(NCc2ccccc2OCC(=O)N2CCCC2)c1 ZINC000546634362 517768573 /nfs/dbraw/zinc/76/85/73/517768573.db2.gz XCIXAOGCPSMQLR-UHFFFAOYSA-N 1 2 350.422 2.761 20 30 FFEDLO CN(C(=O)c1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1)c1ccccc1 ZINC000516655064 517793055 /nfs/dbraw/zinc/79/30/55/517793055.db2.gz WVFUYNRDJUBLPD-OAQYLSRUSA-N 1 2 364.449 2.537 20 30 FFEDLO N#Cc1ccc(CN2CC[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2CCO)s1 ZINC000563363000 517850044 /nfs/dbraw/zinc/85/00/44/517850044.db2.gz HNGDCHZUIPTLCE-AWEZNQCLSA-N 1 2 372.519 2.622 20 30 FFEDLO N#Cc1ccc(CN2CC[N@H+](Cc3ccc(C#N)s3)C[C@@H]2CCO)s1 ZINC000563363000 517850053 /nfs/dbraw/zinc/85/00/53/517850053.db2.gz HNGDCHZUIPTLCE-AWEZNQCLSA-N 1 2 372.519 2.622 20 30 FFEDLO N#Cc1ccc(CN2CC[N@H+](Cc3ccc(C#N)s3)[C@@H](CCO)C2)s1 ZINC000563363000 517850066 /nfs/dbraw/zinc/85/00/66/517850066.db2.gz HNGDCHZUIPTLCE-AWEZNQCLSA-N 1 2 372.519 2.622 20 30 FFEDLO N#Cc1ccc(CN2CC[N@@H+](Cc3ccc(C#N)s3)[C@@H](CCO)C2)s1 ZINC000563363000 517850074 /nfs/dbraw/zinc/85/00/74/517850074.db2.gz HNGDCHZUIPTLCE-AWEZNQCLSA-N 1 2 372.519 2.622 20 30 FFEDLO C=C(C)[C@H](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)OCC ZINC000534401411 517881236 /nfs/dbraw/zinc/88/12/36/517881236.db2.gz KOSIOQQDMXSDOM-JZXOWHBKSA-N 1 2 361.486 2.683 20 30 FFEDLO C=C(C)[C@H](CC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1)OCC ZINC000534403441 517883541 /nfs/dbraw/zinc/88/35/41/517883541.db2.gz YFNXSNDJWCLMRP-PMACEKPBSA-N 1 2 360.498 2.856 20 30 FFEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000563428053 517898018 /nfs/dbraw/zinc/89/80/18/517898018.db2.gz VIGISYFRMXZFJP-CQSZACIVSA-N 1 2 362.424 2.629 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000543313780 518019829 /nfs/dbraw/zinc/01/98/29/518019829.db2.gz SDONIJJRYLWILH-UHFFFAOYSA-N 1 2 367.453 2.761 20 30 FFEDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c2[nH+]ccn21 ZINC000563680944 518064525 /nfs/dbraw/zinc/06/45/25/518064525.db2.gz HVHDJRBYZXLAFS-BXKDBHETSA-N 1 2 370.356 2.758 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000522468562 518113489 /nfs/dbraw/zinc/11/34/89/518113489.db2.gz JVFYDWPXQKWYGV-IBGZPJMESA-N 1 2 351.475 2.965 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000522468562 518113498 /nfs/dbraw/zinc/11/34/98/518113498.db2.gz JVFYDWPXQKWYGV-IBGZPJMESA-N 1 2 351.475 2.965 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3ccc(C#N)nc3)n2)C1 ZINC000528142275 518116297 /nfs/dbraw/zinc/11/62/97/518116297.db2.gz WUEXKMMMNMVDMO-CYBMUJFWSA-N 1 2 355.467 2.823 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3ccc(C#N)nc3)n2)C1 ZINC000528142275 518116304 /nfs/dbraw/zinc/11/63/04/518116304.db2.gz WUEXKMMMNMVDMO-CYBMUJFWSA-N 1 2 355.467 2.823 20 30 FFEDLO C=CCCOCCNC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000535316421 518174467 /nfs/dbraw/zinc/17/44/67/518174467.db2.gz DDWPKDQDHZROGH-UHFFFAOYSA-N 1 2 351.878 2.760 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000569660082 518223666 /nfs/dbraw/zinc/22/36/66/518223666.db2.gz JIDBKAWTUBRYPY-IBGZPJMESA-N 1 2 372.432 2.915 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000569660082 518223674 /nfs/dbraw/zinc/22/36/74/518223674.db2.gz JIDBKAWTUBRYPY-IBGZPJMESA-N 1 2 372.432 2.915 20 30 FFEDLO COc1ccccc1NC(=O)C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000581341863 518237447 /nfs/dbraw/zinc/23/74/47/518237447.db2.gz MNGJXIUYCWOUQE-UHFFFAOYSA-N 1 2 356.451 2.874 20 30 FFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000567121423 518363454 /nfs/dbraw/zinc/36/34/54/518363454.db2.gz FTBXXZAMGNAIRB-LBPRGKRZSA-N 1 2 359.411 2.939 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)c(OC)c1 ZINC000564259899 518372081 /nfs/dbraw/zinc/37/20/81/518372081.db2.gz FPQAZGXLKSYVAY-UHFFFAOYSA-N 1 2 358.467 2.663 20 30 FFEDLO N#CCCN1CC[NH+]([C@@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000567244059 518428254 /nfs/dbraw/zinc/42/82/54/518428254.db2.gz KGRBPYUBJQECRF-OAQYLSRUSA-N 1 2 362.477 2.575 20 30 FFEDLO COc1cccc(N2CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)c1 ZINC000576283468 518516796 /nfs/dbraw/zinc/51/67/96/518516796.db2.gz QNYFEYWAUCGKFZ-UHFFFAOYSA-N 1 2 352.394 2.797 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC000567506354 518561444 /nfs/dbraw/zinc/56/14/44/518561444.db2.gz MKFBKARIUZSVNM-HXUWFJFHSA-N 1 2 355.438 2.650 20 30 FFEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000585799769 518605561 /nfs/dbraw/zinc/60/55/61/518605561.db2.gz NIDXHEUBPQXZPY-KZNAEPCWSA-N 1 2 368.437 2.624 20 30 FFEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000585799769 518605566 /nfs/dbraw/zinc/60/55/66/518605566.db2.gz NIDXHEUBPQXZPY-KZNAEPCWSA-N 1 2 368.437 2.624 20 30 FFEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000567783827 518708423 /nfs/dbraw/zinc/70/84/23/518708423.db2.gz RIPXSBRJRZDOQZ-DLBZAZTESA-N 1 2 363.889 2.626 20 30 FFEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000567783827 518708430 /nfs/dbraw/zinc/70/84/30/518708430.db2.gz RIPXSBRJRZDOQZ-DLBZAZTESA-N 1 2 363.889 2.626 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000573873330 518875208 /nfs/dbraw/zinc/87/52/08/518875208.db2.gz NRYQRYUXORYOBF-UHFFFAOYSA-N 1 2 356.813 2.658 20 30 FFEDLO C=C[C@H]1CCCCN1C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000573897688 518888596 /nfs/dbraw/zinc/88/85/96/518888596.db2.gz RXQAWDCKGPVMMR-IBGZPJMESA-N 1 2 370.497 2.923 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(O)cc(C#N)c1)c1ccc(F)cc1 ZINC000589164470 518935722 /nfs/dbraw/zinc/93/57/22/518935722.db2.gz JNZLUQGMSOWIEE-KRWDZBQOSA-N 1 2 350.353 2.656 20 30 FFEDLO N#Cc1csc(CN2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)n1 ZINC000589497934 519017731 /nfs/dbraw/zinc/01/77/31/519017731.db2.gz JKJFDFRGBMVUIE-MRXNPFEDSA-N 1 2 362.886 2.519 20 30 FFEDLO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000589503442 519020683 /nfs/dbraw/zinc/02/06/83/519020683.db2.gz QPUJZUBNCAFBQU-NSHDSACASA-N 1 2 360.405 2.638 20 30 FFEDLO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000589503442 519020693 /nfs/dbraw/zinc/02/06/93/519020693.db2.gz QPUJZUBNCAFBQU-NSHDSACASA-N 1 2 360.405 2.638 20 30 FFEDLO Cc1ccccc1-c1noc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000590005043 519124628 /nfs/dbraw/zinc/12/46/28/519124628.db2.gz AMGGWLBOJVTCSV-INIZCTEOSA-N 1 2 361.405 2.965 20 30 FFEDLO Cc1ccccc1-c1noc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000590005043 519124634 /nfs/dbraw/zinc/12/46/34/519124634.db2.gz AMGGWLBOJVTCSV-INIZCTEOSA-N 1 2 361.405 2.965 20 30 FFEDLO CC1(C)C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000590014353 519129874 /nfs/dbraw/zinc/12/98/74/519129874.db2.gz SUJQEDCEJBQRBG-HOCLYGCPSA-N 1 2 372.387 2.534 20 30 FFEDLO CC1(C)C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000590014353 519129882 /nfs/dbraw/zinc/12/98/82/519129882.db2.gz SUJQEDCEJBQRBG-HOCLYGCPSA-N 1 2 372.387 2.534 20 30 FFEDLO N#Cc1cc(CN2CC[N@H+](Cc3ccnc(C#N)c3)[C@@H]3CCCC[C@H]32)ccn1 ZINC000590205454 519173129 /nfs/dbraw/zinc/17/31/29/519173129.db2.gz VBZTWABSKWLMKE-FGZHOGPDSA-N 1 2 372.476 2.849 20 30 FFEDLO N#Cc1cc(CN2CC[N@@H+](Cc3ccnc(C#N)c3)[C@@H]3CCCC[C@H]32)ccn1 ZINC000590205454 519173136 /nfs/dbraw/zinc/17/31/36/519173136.db2.gz VBZTWABSKWLMKE-FGZHOGPDSA-N 1 2 372.476 2.849 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000574612850 519240730 /nfs/dbraw/zinc/24/07/30/519240730.db2.gz WTEQWDHLOKVINA-IKGGRYGDSA-N 1 2 358.417 2.681 20 30 FFEDLO C[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(Br)cc1 ZINC000583444099 519251404 /nfs/dbraw/zinc/25/14/04/519251404.db2.gz NBEFLNSWFIKSEU-WBMJQRKESA-N 1 2 352.276 2.903 20 30 FFEDLO N#Cc1nc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)sc1Cl ZINC000590570950 519270722 /nfs/dbraw/zinc/27/07/22/519270722.db2.gz AGBCPEVCNDXXLC-UHFFFAOYSA-N 1 2 358.858 2.638 20 30 FFEDLO N#Cc1c(NC(=O)CN2CCn3c[nH+]cc3C2)sc2c1CCCCC2 ZINC000590599842 519283605 /nfs/dbraw/zinc/28/36/05/519283605.db2.gz RQZVPMJHXLZODS-UHFFFAOYSA-N 1 2 355.467 2.539 20 30 FFEDLO COc1ccc(C)cc1C[NH+]1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000590684723 519314800 /nfs/dbraw/zinc/31/48/00/519314800.db2.gz DZPWUPGIFPZMMN-UHFFFAOYSA-N 1 2 367.409 2.501 20 30 FFEDLO N#CCc1ccc(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000566154675 519337896 /nfs/dbraw/zinc/33/78/96/519337896.db2.gz INKNLIIFCJFIMR-UHFFFAOYSA-N 1 2 354.479 2.842 20 30 FFEDLO CC(C)OCc1nc([C@@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)no1 ZINC000569038428 519343309 /nfs/dbraw/zinc/34/33/09/519343309.db2.gz SJCPHBHFMBMIER-LLVKDONJSA-N 1 2 363.443 2.607 20 30 FFEDLO Cc1nc(CNC[C@@H](O)C[N@H+](C)CCC#N)oc1-c1ccc(Cl)cc1 ZINC000580828802 519381476 /nfs/dbraw/zinc/38/14/76/519381476.db2.gz LZCFYTMZJDTCMC-MRXNPFEDSA-N 1 2 362.861 2.599 20 30 FFEDLO Cc1nc(CNC[C@@H](O)C[N@@H+](C)CCC#N)oc1-c1ccc(Cl)cc1 ZINC000580828802 519381480 /nfs/dbraw/zinc/38/14/80/519381480.db2.gz LZCFYTMZJDTCMC-MRXNPFEDSA-N 1 2 362.861 2.599 20 30 FFEDLO Cc1oncc1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1c(C#N)nnc2ccccc21 ZINC000574951721 519418868 /nfs/dbraw/zinc/41/88/68/519418868.db2.gz RPIBOCZGBQTWCL-GJZGRUSLSA-N 1 2 366.400 2.822 20 30 FFEDLO Cc1oncc1C[N@H+]1C[C@@H](F)C[C@H]1CNc1c(C#N)nnc2ccccc21 ZINC000574951721 519418873 /nfs/dbraw/zinc/41/88/73/519418873.db2.gz RPIBOCZGBQTWCL-GJZGRUSLSA-N 1 2 366.400 2.822 20 30 FFEDLO CCOc1cc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)ccc1O ZINC000590951235 519455246 /nfs/dbraw/zinc/45/52/46/519455246.db2.gz MLKWXGGJKMIWHD-UHFFFAOYSA-N 1 2 368.437 2.850 20 30 FFEDLO COc1cc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)ccc1OC(F)F ZINC000591020161 519479770 /nfs/dbraw/zinc/47/97/70/519479770.db2.gz LBWHVDOMIIFIKI-OAHLLOKOSA-N 1 2 353.413 2.962 20 30 FFEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(Br)c(C#N)cc1F ZINC000572179395 519483296 /nfs/dbraw/zinc/48/32/96/519483296.db2.gz UAXBKLUULJFOPK-AAEUAGOBSA-N 1 2 368.250 2.759 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CN(Cc1ccco1)c1cccc(Cl)c1 ZINC000578327149 519536913 /nfs/dbraw/zinc/53/69/13/519536913.db2.gz RVAORELRCJCPFZ-LJQANCHMSA-N 1 2 374.872 2.900 20 30 FFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000591334989 519595758 /nfs/dbraw/zinc/59/57/58/519595758.db2.gz BRPGVGUZZIUWBQ-MJGOQNOKSA-N 1 2 361.449 2.909 20 30 FFEDLO C[C@@H](O)C[N@@H+]1CCN(c2c(Br)cc(Cl)cc2C#N)C[C@H]1C ZINC000584149626 519612813 /nfs/dbraw/zinc/61/28/13/519612813.db2.gz BETQOTKXWASHIS-GHMZBOCLSA-N 1 2 372.694 2.865 20 30 FFEDLO C[C@@H](O)C[N@H+]1CCN(c2c(Br)cc(Cl)cc2C#N)C[C@H]1C ZINC000584149626 519612816 /nfs/dbraw/zinc/61/28/16/519612816.db2.gz BETQOTKXWASHIS-GHMZBOCLSA-N 1 2 372.694 2.865 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C[C@H](C)N1CC#N ZINC000602858870 519932275 /nfs/dbraw/zinc/93/22/75/519932275.db2.gz VUPUFZQMXAHICT-KDURUIRLSA-N 1 2 368.525 2.533 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C[C@H](C)N1CC#N ZINC000602858870 519932285 /nfs/dbraw/zinc/93/22/85/519932285.db2.gz VUPUFZQMXAHICT-KDURUIRLSA-N 1 2 368.525 2.533 20 30 FFEDLO CCN(C(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1nc2ccccc2s1 ZINC000602865384 519934955 /nfs/dbraw/zinc/93/49/55/519934955.db2.gz SNEMBUMLVLRMPO-GASCZTMLSA-N 1 2 371.510 2.567 20 30 FFEDLO CCN(C(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1nc2ccccc2s1 ZINC000602865384 519934964 /nfs/dbraw/zinc/93/49/64/519934964.db2.gz SNEMBUMLVLRMPO-GASCZTMLSA-N 1 2 371.510 2.567 20 30 FFEDLO Cn1c(C[NH+]2CCC(Nc3ccccc3C#N)CC2)nc2ccccc2c1=O ZINC000602897422 519957213 /nfs/dbraw/zinc/95/72/13/519957213.db2.gz XMOJPJFQWMOVNP-UHFFFAOYSA-N 1 2 373.460 2.882 20 30 FFEDLO COC(=O)c1csc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)n1 ZINC000602897744 519959386 /nfs/dbraw/zinc/95/93/86/519959386.db2.gz DUWHCKKZQLNNDV-UHFFFAOYSA-N 1 2 356.451 2.878 20 30 FFEDLO CCn1nc(C)c(C[N@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000602925236 519975700 /nfs/dbraw/zinc/97/57/00/519975700.db2.gz HWHLLFJXWAWHEU-LJQANCHMSA-N 1 2 351.454 2.629 20 30 FFEDLO CCn1nc(C)c(C[N@@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000602925236 519975703 /nfs/dbraw/zinc/97/57/03/519975703.db2.gz HWHLLFJXWAWHEU-LJQANCHMSA-N 1 2 351.454 2.629 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NCC1(C#N)CCCCC1 ZINC000597399543 520002411 /nfs/dbraw/zinc/00/24/11/520002411.db2.gz PTGPMMFYAZCBIG-MRXNPFEDSA-N 1 2 371.485 2.547 20 30 FFEDLO N#Cc1cc(F)cc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000603067525 520061966 /nfs/dbraw/zinc/06/19/66/520061966.db2.gz VTSMHGJCBBUFHP-UHFFFAOYSA-N 1 2 371.441 2.967 20 30 FFEDLO N#Cc1ccc(-n2cc(C[NH+]3CCSCC3)nn2)cc1C(F)(F)F ZINC000594658270 520070730 /nfs/dbraw/zinc/07/07/30/520070730.db2.gz WSKPLZBNKZXSEN-UHFFFAOYSA-N 1 2 353.373 2.707 20 30 FFEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000608783167 520125636 /nfs/dbraw/zinc/12/56/36/520125636.db2.gz NQTNHJYYHKXDKF-UHFFFAOYSA-N 1 2 362.433 2.732 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cc1C#N ZINC000600229541 520140808 /nfs/dbraw/zinc/14/08/08/520140808.db2.gz VINSDVTZFZNKJV-CQSZACIVSA-N 1 2 360.483 2.518 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cc1C#N ZINC000600229541 520140812 /nfs/dbraw/zinc/14/08/12/520140812.db2.gz VINSDVTZFZNKJV-CQSZACIVSA-N 1 2 360.483 2.518 20 30 FFEDLO N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(-c4c[nH]c[nH+]4)cc3)cc2)c1N ZINC000608924583 520161547 /nfs/dbraw/zinc/16/15/47/520161547.db2.gz UBQCWZWTHXIYKF-UHFFFAOYSA-N 1 2 369.388 2.969 20 30 FFEDLO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3ccncc3C#N)CC2)cs1 ZINC000592070998 520166538 /nfs/dbraw/zinc/16/65/38/520166538.db2.gz CBLAUDZTHUNAAT-HNNXBMFYSA-N 1 2 371.510 2.825 20 30 FFEDLO CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3ccncc3C#N)CC2)cs1 ZINC000592070998 520166542 /nfs/dbraw/zinc/16/65/42/520166542.db2.gz CBLAUDZTHUNAAT-HNNXBMFYSA-N 1 2 371.510 2.825 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000609075673 520186026 /nfs/dbraw/zinc/18/60/26/520186026.db2.gz SRCCDHFJSUSRBW-UHFFFAOYSA-N 1 2 351.450 2.763 20 30 FFEDLO C[C@H](NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)c1cccc(C#N)c1 ZINC000603293658 520202522 /nfs/dbraw/zinc/20/25/22/520202522.db2.gz CRZOSILKXCEWNQ-AWEZNQCLSA-N 1 2 355.463 2.586 20 30 FFEDLO C[C@H](NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)c1cccc(C#N)c1 ZINC000603293658 520202531 /nfs/dbraw/zinc/20/25/31/520202531.db2.gz CRZOSILKXCEWNQ-AWEZNQCLSA-N 1 2 355.463 2.586 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)N(C)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000603361846 520231875 /nfs/dbraw/zinc/23/18/75/520231875.db2.gz BQPIEIFEBYALNL-OAHLLOKOSA-N 1 2 369.490 2.928 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)N(C)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000603361846 520231878 /nfs/dbraw/zinc/23/18/78/520231878.db2.gz BQPIEIFEBYALNL-OAHLLOKOSA-N 1 2 369.490 2.928 20 30 FFEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)c(F)c1 ZINC000609253684 520245917 /nfs/dbraw/zinc/24/59/17/520245917.db2.gz GZCHTMRZVAICKD-UHFFFAOYSA-N 1 2 358.442 2.786 20 30 FFEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000609343257 520288707 /nfs/dbraw/zinc/28/87/07/520288707.db2.gz OASGXIFFVNWIMW-UHFFFAOYSA-N 1 2 374.366 2.930 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000603662421 520338837 /nfs/dbraw/zinc/33/88/37/520338837.db2.gz ZUIFMXOBCIDHCK-TZIWHRDSSA-N 1 2 352.434 2.566 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000603662421 520338843 /nfs/dbraw/zinc/33/88/43/520338843.db2.gz ZUIFMXOBCIDHCK-TZIWHRDSSA-N 1 2 352.434 2.566 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609537891 520348144 /nfs/dbraw/zinc/34/81/44/520348144.db2.gz HJDVAEUGURWZSP-IEBWSBKVSA-N 1 2 374.554 2.817 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2Cl)CC1 ZINC000609538780 520348418 /nfs/dbraw/zinc/34/84/18/520348418.db2.gz XRWGQNFJCVYBBR-MAUKXSAKSA-N 1 2 362.905 2.510 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)C(C)C)CC1 ZINC000609539359 520348909 /nfs/dbraw/zinc/34/89/09/520348909.db2.gz YLBXKKBCLQKFIP-RTWAWAEBSA-N 1 2 370.541 2.708 20 30 FFEDLO N#Cc1ccc(CC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000600679173 520393082 /nfs/dbraw/zinc/39/30/82/520393082.db2.gz SDAYCFRQBVGSHG-UHFFFAOYSA-N 1 2 358.445 2.926 20 30 FFEDLO C[NH+](C)[C@H](CNC(=O)COc1ccccc1C#N)c1c(F)cccc1F ZINC000609664060 520399263 /nfs/dbraw/zinc/39/92/63/520399263.db2.gz VRTVZMRJUDALSV-MRXNPFEDSA-N 1 2 359.376 2.634 20 30 FFEDLO CCOc1c(Br)cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1OC ZINC000592523438 520436548 /nfs/dbraw/zinc/43/65/48/520436548.db2.gz LPZMKBHUTBPKIB-INIZCTEOSA-N 1 2 369.259 2.707 20 30 FFEDLO CCOc1c(Br)cc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1OC ZINC000592523438 520436553 /nfs/dbraw/zinc/43/65/53/520436553.db2.gz LPZMKBHUTBPKIB-INIZCTEOSA-N 1 2 369.259 2.707 20 30 FFEDLO C=CCCSCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000595422650 520460942 /nfs/dbraw/zinc/46/09/42/520460942.db2.gz ISPTYCKTRLGQQL-OAHLLOKOSA-N 1 2 369.556 2.730 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@H](CC#N)C3)c[nH+]2)C[C@H](C)O1 ZINC000595456029 520483819 /nfs/dbraw/zinc/48/38/19/520483819.db2.gz REHSRYXEQKMGFY-IXDOHACOSA-N 1 2 371.485 2.530 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604276221 520504483 /nfs/dbraw/zinc/50/44/83/520504483.db2.gz HMQBPCPWFKMBRT-VWYCJHECSA-N 1 2 359.314 2.810 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3cnc4ccccc4n3)CC2)c1C#N ZINC000595495853 520507241 /nfs/dbraw/zinc/50/72/41/520507241.db2.gz UNHAIDCFFIHFTG-UHFFFAOYSA-N 1 2 350.451 2.589 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](c3ccccn3)C2)C1=O ZINC000595502412 520512960 /nfs/dbraw/zinc/51/29/60/520512960.db2.gz UDFFTJKXFKFKBL-DOTOQJQBSA-N 1 2 352.463 3.000 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](c3ccccn3)C2)C1=O ZINC000595502412 520512969 /nfs/dbraw/zinc/51/29/69/520512969.db2.gz UDFFTJKXFKFKBL-DOTOQJQBSA-N 1 2 352.463 3.000 20 30 FFEDLO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](CC#N)C1)c1c(F)cccc1F ZINC000595551676 520547321 /nfs/dbraw/zinc/54/73/21/520547321.db2.gz XXEZIUGOPICDTH-CJNGLKHVSA-N 1 2 350.413 2.903 20 30 FFEDLO C[C@H](NC(=O)c1sccc1C#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610155474 520561514 /nfs/dbraw/zinc/56/15/14/520561514.db2.gz QOADFSBOLUGUBT-WMLDXEAASA-N 1 2 355.463 2.639 20 30 FFEDLO C[C@H](NC(=O)c1sccc1C#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610155474 520561518 /nfs/dbraw/zinc/56/15/18/520561518.db2.gz QOADFSBOLUGUBT-WMLDXEAASA-N 1 2 355.463 2.639 20 30 FFEDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cn([C@@H]3CC[C@@H](C#N)C3)nn2)CC1 ZINC000600973057 520566290 /nfs/dbraw/zinc/56/62/90/520566290.db2.gz JAUNRBQLUMHGDX-RHSMWYFYSA-N 1 2 359.474 2.697 20 30 FFEDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cn(CC3(C#N)CCCC3)nn2)CC1 ZINC000600970677 520566429 /nfs/dbraw/zinc/56/64/29/520566429.db2.gz YUGVPNIXXBTAAX-UHFFFAOYSA-N 1 2 373.501 2.916 20 30 FFEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1 ZINC000595617097 520596709 /nfs/dbraw/zinc/59/67/09/520596709.db2.gz UJYPLCGFMVCJCR-MRXNPFEDSA-N 1 2 366.465 2.910 20 30 FFEDLO N#CC[C@H]1CCC[N@H+](CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1 ZINC000595617097 520596715 /nfs/dbraw/zinc/59/67/15/520596715.db2.gz UJYPLCGFMVCJCR-MRXNPFEDSA-N 1 2 366.465 2.910 20 30 FFEDLO Cc1c(-c2cc(C[NH+]3CCN(c4ccsc4C#N)CC3)on2)cnn1C ZINC000595630071 520607013 /nfs/dbraw/zinc/60/70/13/520607013.db2.gz SAPBWABXARTBQU-UHFFFAOYSA-N 1 2 368.466 2.639 20 30 FFEDLO N#Cc1sccc1N1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000595632974 520609489 /nfs/dbraw/zinc/60/94/89/520609489.db2.gz RQQDVOQMYMKIJH-QGZVFWFLSA-N 1 2 352.463 2.547 20 30 FFEDLO Cn1cc[nH+]c1C[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000610268822 520613946 /nfs/dbraw/zinc/61/39/46/520613946.db2.gz ITQIIGRARQRYBU-SFHVURJKSA-N 1 2 366.446 2.554 20 30 FFEDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000595677255 520640927 /nfs/dbraw/zinc/64/09/27/520640927.db2.gz IIGMIXIROWZXML-LJQANCHMSA-N 1 2 354.406 2.792 20 30 FFEDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000595677255 520640935 /nfs/dbraw/zinc/64/09/35/520640935.db2.gz IIGMIXIROWZXML-LJQANCHMSA-N 1 2 354.406 2.792 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000593046294 520706135 /nfs/dbraw/zinc/70/61/35/520706135.db2.gz HSPFFSYZKXGVDB-HZPDHXFCSA-N 1 2 363.502 2.866 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000593046294 520706142 /nfs/dbraw/zinc/70/61/42/520706142.db2.gz HSPFFSYZKXGVDB-HZPDHXFCSA-N 1 2 363.502 2.866 20 30 FFEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCOc2cc(Br)ccc2C1 ZINC000598628953 520751175 /nfs/dbraw/zinc/75/11/75/520751175.db2.gz VNMPLIDKKLVYIR-AWEZNQCLSA-N 1 2 353.260 2.944 20 30 FFEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCOc2cc(Br)ccc2C1 ZINC000598628953 520751180 /nfs/dbraw/zinc/75/11/80/520751180.db2.gz VNMPLIDKKLVYIR-AWEZNQCLSA-N 1 2 353.260 2.944 20 30 FFEDLO CC1CC[NH+](Cc2csc(NC(=O)CN3CC[C@](C)(C#N)C3)n2)CC1 ZINC000595840275 520759793 /nfs/dbraw/zinc/75/97/93/520759793.db2.gz MTHJGNGLFLOQEU-GOSISDBHSA-N 1 2 361.515 2.549 20 30 FFEDLO N#CCc1ccccc1S(=O)(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000601391268 520770411 /nfs/dbraw/zinc/77/04/11/520770411.db2.gz NTAMYLLRIYHPKT-UHFFFAOYSA-N 1 2 372.494 2.830 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1 ZINC000610675745 520790688 /nfs/dbraw/zinc/79/06/88/520790688.db2.gz VXKCZTSHNINUFS-HOJAQTOUSA-N 1 2 354.498 2.564 20 30 FFEDLO CC(C)(C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)c1c[nH+]c[nH]1 ZINC000598698958 520793295 /nfs/dbraw/zinc/79/32/95/520793295.db2.gz ZUNWMDZOYWOBJF-INIZCTEOSA-N 1 2 371.872 2.750 20 30 FFEDLO N#CC1(c2ccccn2)CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000601563680 520843472 /nfs/dbraw/zinc/84/34/72/520843472.db2.gz ZJDPSUHTNRAYCH-UHFFFAOYSA-N 1 2 371.444 2.894 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(O)cc(C#N)c1)c1cccc(F)c1 ZINC000614294165 520894326 /nfs/dbraw/zinc/89/43/26/520894326.db2.gz VWUQYMFXFPFNLD-KRWDZBQOSA-N 1 2 350.353 2.656 20 30 FFEDLO Cc1ccc([C@@H](CNC(=O)NCC2(C#N)CCCC2)[NH+]2CCOCC2)cc1 ZINC000593315991 520903476 /nfs/dbraw/zinc/90/34/76/520903476.db2.gz OBZFZNOBOLQVQU-LJQANCHMSA-N 1 2 370.497 2.752 20 30 FFEDLO C[C@H]1C[N@H+](Cc2ccnc(C#N)c2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000610993687 520936270 /nfs/dbraw/zinc/93/62/70/520936270.db2.gz BMBXBDAJKAMZGD-HNNXBMFYSA-N 1 2 368.868 2.882 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000610993687 520936279 /nfs/dbraw/zinc/93/62/79/520936279.db2.gz BMBXBDAJKAMZGD-HNNXBMFYSA-N 1 2 368.868 2.882 20 30 FFEDLO C[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H]1CO ZINC000611140061 521005109 /nfs/dbraw/zinc/00/51/09/521005109.db2.gz RBUUOOKKBSSYCE-CJNGLKHVSA-N 1 2 361.511 2.920 20 30 FFEDLO C[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H]1CO ZINC000611140061 521005118 /nfs/dbraw/zinc/00/51/18/521005118.db2.gz RBUUOOKKBSSYCE-CJNGLKHVSA-N 1 2 361.511 2.920 20 30 FFEDLO Cc1ncc([C@@H](C)[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c(C)n1 ZINC000614524289 521011513 /nfs/dbraw/zinc/01/15/13/521011513.db2.gz FMZABPFYTNVPRK-CYBMUJFWSA-N 1 2 352.442 2.714 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601971599 521048674 /nfs/dbraw/zinc/04/86/74/521048674.db2.gz CXJKGNBONYYVPY-ZBFHGGJFSA-N 1 2 351.397 2.678 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601971599 521048680 /nfs/dbraw/zinc/04/86/80/521048680.db2.gz CXJKGNBONYYVPY-ZBFHGGJFSA-N 1 2 351.397 2.678 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(C(=O)NC4CC4)cc3)CC2)cc1 ZINC000611252849 521059398 /nfs/dbraw/zinc/05/93/98/521059398.db2.gz YLQGTYVYTUMPOI-UHFFFAOYSA-N 1 2 374.488 2.768 20 30 FFEDLO Cc1ccc2ncc(C#N)c(NC[C@H]3C[N@H+](Cc4ccncc4)CCO3)c2c1 ZINC000599185404 521076668 /nfs/dbraw/zinc/07/66/68/521076668.db2.gz SQHKLHWMJWDDCS-IBGZPJMESA-N 1 2 373.460 2.545 20 30 FFEDLO Cc1ccc2ncc(C#N)c(NC[C@H]3C[N@@H+](Cc4ccncc4)CCO3)c2c1 ZINC000599185404 521076675 /nfs/dbraw/zinc/07/66/75/521076675.db2.gz SQHKLHWMJWDDCS-IBGZPJMESA-N 1 2 373.460 2.545 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ocnc3C(F)(F)F)CC2)cc1 ZINC000602033993 521091833 /nfs/dbraw/zinc/09/18/33/521091833.db2.gz QTQQEWRRRLHHGQ-UHFFFAOYSA-N 1 2 364.327 2.523 20 30 FFEDLO C[C@H]([NH2+][C@@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1cccc(C#N)c1 ZINC000611386622 521130621 /nfs/dbraw/zinc/13/06/21/521130621.db2.gz QABZWUOQKPTZDH-KBPBESRZSA-N 1 2 359.437 2.733 20 30 FFEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000614773445 521132435 /nfs/dbraw/zinc/13/24/35/521132435.db2.gz KNTAPZINGOWFOH-CQSZACIVSA-N 1 2 354.376 2.519 20 30 FFEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000614773445 521132443 /nfs/dbraw/zinc/13/24/43/521132443.db2.gz KNTAPZINGOWFOH-CQSZACIVSA-N 1 2 354.376 2.519 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N(CCC#N)Cc2ccccn2)cc1 ZINC000602092211 521136015 /nfs/dbraw/zinc/13/60/15/521136015.db2.gz UNBUHIJIKZVHOE-HXUWFJFHSA-N 1 2 364.449 2.607 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N(CCC#N)Cc2ccccn2)cc1 ZINC000602092211 521136021 /nfs/dbraw/zinc/13/60/21/521136021.db2.gz UNBUHIJIKZVHOE-HXUWFJFHSA-N 1 2 364.449 2.607 20 30 FFEDLO N#Cc1ccc(Cn2c3ccccc3[nH+]c2NCCO)c(Br)c1 ZINC000611495123 521186914 /nfs/dbraw/zinc/18/69/14/521186914.db2.gz CEMUOAMCVMFTPK-UHFFFAOYSA-N 1 2 371.238 2.545 20 30 FFEDLO Cc1ccc(C[N@H+]2CCc3c(cccc3S(=O)(=O)N(C)C)C2)cc1C#N ZINC000599403412 521202361 /nfs/dbraw/zinc/20/23/61/521202361.db2.gz OMRCSCCUJNMYBX-UHFFFAOYSA-N 1 2 369.490 2.675 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCc3c(cccc3S(=O)(=O)N(C)C)C2)cc1C#N ZINC000599403412 521202366 /nfs/dbraw/zinc/20/23/66/521202366.db2.gz OMRCSCCUJNMYBX-UHFFFAOYSA-N 1 2 369.490 2.675 20 30 FFEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551864 521215277 /nfs/dbraw/zinc/21/52/77/521215277.db2.gz VZLFKRKUIUVWLV-QKLQHJQFSA-N 1 2 372.488 2.797 20 30 FFEDLO Cc1ccc2[nH+]c(CNC(=O)N3CCc4c(CC#N)cccc4C3)cn2c1 ZINC000602238495 521228903 /nfs/dbraw/zinc/22/89/03/521228903.db2.gz JSUQQOYFENFYKI-UHFFFAOYSA-N 1 2 359.433 2.977 20 30 FFEDLO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(F)c(O)c(F)c3)CC2)c1 ZINC000593885966 521271789 /nfs/dbraw/zinc/27/17/89/521271789.db2.gz LOHNAQWDYSLSFX-UHFFFAOYSA-N 1 2 371.387 2.936 20 30 FFEDLO N#Cc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1C(F)(F)F ZINC000596773965 521274288 /nfs/dbraw/zinc/27/42/88/521274288.db2.gz KVOKLMHWZZFOAA-CQSZACIVSA-N 1 2 368.359 2.515 20 30 FFEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)CO1 ZINC000596775371 521275970 /nfs/dbraw/zinc/27/59/70/521275970.db2.gz UEUNKDRZJPHABT-VXGBXAGGSA-N 1 2 370.375 2.808 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)CO1 ZINC000596775371 521275978 /nfs/dbraw/zinc/27/59/78/521275978.db2.gz UEUNKDRZJPHABT-VXGBXAGGSA-N 1 2 370.375 2.808 20 30 FFEDLO N#CCC1CC[NH+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000611687842 521282053 /nfs/dbraw/zinc/28/20/53/521282053.db2.gz NSWLDFUNLNTLSK-UHFFFAOYSA-N 1 2 350.348 2.807 20 30 FFEDLO CCn1cc([C@H]2CSCC[N@@H+]2CCOc2ccc(C#N)cc2OC)cn1 ZINC000618901186 521285716 /nfs/dbraw/zinc/28/57/16/521285716.db2.gz HBSMVFUWZHMNQZ-QGZVFWFLSA-N 1 2 372.494 2.952 20 30 FFEDLO CCn1cc([C@H]2CSCC[N@H+]2CCOc2ccc(C#N)cc2OC)cn1 ZINC000618901186 521285722 /nfs/dbraw/zinc/28/57/22/521285722.db2.gz HBSMVFUWZHMNQZ-QGZVFWFLSA-N 1 2 372.494 2.952 20 30 FFEDLO COc1ccc(-c2nc(C)sc2CC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000602336083 521287478 /nfs/dbraw/zinc/28/74/78/521287478.db2.gz XSKXUASQRLLXMW-LJQANCHMSA-N 1 2 372.494 2.630 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599588798 521314949 /nfs/dbraw/zinc/31/49/49/521314949.db2.gz KVBZWUVFNAKWIL-RHSMWYFYSA-N 1 2 357.454 2.796 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599588798 521314956 /nfs/dbraw/zinc/31/49/56/521314956.db2.gz KVBZWUVFNAKWIL-RHSMWYFYSA-N 1 2 357.454 2.796 20 30 FFEDLO CN(Cc1ccccc1F)C(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675443 521390266 /nfs/dbraw/zinc/39/02/66/521390266.db2.gz LSQOGXHJSWSFNH-UHFFFAOYSA-N 1 2 351.425 2.908 20 30 FFEDLO CN(Cc1ccccc1F)C(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675443 521390274 /nfs/dbraw/zinc/39/02/74/521390274.db2.gz LSQOGXHJSWSFNH-UHFFFAOYSA-N 1 2 351.425 2.908 20 30 FFEDLO COC[C@]1(C)C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000599698300 521410840 /nfs/dbraw/zinc/41/08/40/521410840.db2.gz QNMDCCDVSMTKIU-NQIIRXRSSA-N 1 2 373.497 2.676 20 30 FFEDLO COC[C@]1(C)C[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000599698300 521410844 /nfs/dbraw/zinc/41/08/44/521410844.db2.gz QNMDCCDVSMTKIU-NQIIRXRSSA-N 1 2 373.497 2.676 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000597043545 521464526 /nfs/dbraw/zinc/46/45/26/521464526.db2.gz VFDQYEDNQYAMLK-MCIONIFRSA-N 1 2 359.227 2.667 20 30 FFEDLO Cc1cccn2c(NC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)c[nH+]c12 ZINC000597080328 521488613 /nfs/dbraw/zinc/48/86/13/521488613.db2.gz FSRPDAAMQDFIMR-OAHLLOKOSA-N 1 2 362.393 2.595 20 30 FFEDLO Cn1nc(C(=O)OC(C)(C)C)cc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000602728934 521500564 /nfs/dbraw/zinc/50/05/64/521500564.db2.gz DXKDNRKEOXAJBR-UHFFFAOYSA-N 1 2 366.465 3.000 20 30 FFEDLO Cn1nc(C(=O)OC(C)(C)C)cc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000602728934 521500572 /nfs/dbraw/zinc/50/05/72/521500572.db2.gz DXKDNRKEOXAJBR-UHFFFAOYSA-N 1 2 366.465 3.000 20 30 FFEDLO COc1ccc(OCc2ccccn2)c(C[NH+]2CCN(CCC#N)CC2)c1 ZINC000602748925 521514692 /nfs/dbraw/zinc/51/46/92/521514692.db2.gz XAVNQVNVWMAFDG-UHFFFAOYSA-N 1 2 366.465 2.700 20 30 FFEDLO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1OC ZINC000612166927 521516576 /nfs/dbraw/zinc/51/65/76/521516576.db2.gz YMAMVGFTABSHDK-UTKZUKDTSA-N 1 2 371.481 2.993 20 30 FFEDLO COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@@](C)(C#N)C2)cc1OC ZINC000612166927 521516582 /nfs/dbraw/zinc/51/65/82/521516582.db2.gz YMAMVGFTABSHDK-UTKZUKDTSA-N 1 2 371.481 2.993 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000615787709 521531119 /nfs/dbraw/zinc/53/11/19/521531119.db2.gz UMZYLACICIWKNF-UTLUCORTSA-N 1 2 357.298 2.610 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(OC(F)(F)F)cc1 ZINC000597183010 521562445 /nfs/dbraw/zinc/56/24/45/521562445.db2.gz FAHAYOGNUQASHT-DOMZBBRYSA-N 1 2 364.327 2.725 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1Br ZINC000597228074 521585688 /nfs/dbraw/zinc/58/56/88/521585688.db2.gz CLYOAKFUVXLJEN-BMIGLBTASA-N 1 2 359.227 2.658 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1Br ZINC000597228074 521585691 /nfs/dbraw/zinc/58/56/91/521585691.db2.gz CLYOAKFUVXLJEN-BMIGLBTASA-N 1 2 359.227 2.658 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1Br ZINC000597228706 521585720 /nfs/dbraw/zinc/58/57/20/521585720.db2.gz FWNZLGOBCGXZJO-ABAIWWIYSA-N 1 2 359.227 2.589 20 30 FFEDLO C=C[C@@H](CC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000629436913 522219292 /nfs/dbraw/zinc/21/92/92/522219292.db2.gz BXNIZLHBZCDQDH-FPOVZHCZSA-N 1 2 365.477 2.759 20 30 FFEDLO C=C[C@@H](CC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000629436913 522219301 /nfs/dbraw/zinc/21/93/01/522219301.db2.gz BXNIZLHBZCDQDH-FPOVZHCZSA-N 1 2 365.477 2.759 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cc1OC ZINC000628159283 523388637 /nfs/dbraw/zinc/38/86/37/523388637.db2.gz MJCHXNJPOKITMS-AWEZNQCLSA-N 1 2 350.846 2.720 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)cc1OC ZINC000628159283 523388641 /nfs/dbraw/zinc/38/86/41/523388641.db2.gz MJCHXNJPOKITMS-AWEZNQCLSA-N 1 2 350.846 2.720 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1OC ZINC000628247470 523437167 /nfs/dbraw/zinc/43/71/67/523437167.db2.gz CIPBVSGGBUJTLA-JJRVBVJISA-N 1 2 364.873 2.999 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1OC ZINC000628247470 523437178 /nfs/dbraw/zinc/43/71/78/523437178.db2.gz CIPBVSGGBUJTLA-JJRVBVJISA-N 1 2 364.873 2.999 20 30 FFEDLO Cn1cc(C#N)c(=NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)[nH]1 ZINC000610876592 554573884 /nfs/dbraw/zinc/57/38/84/554573884.db2.gz AIJWCLWKNNMTFN-IRXDYDNUSA-N 1 2 361.409 2.539 20 30 FFEDLO Cc1cc(=NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)[nH]nc1C ZINC000532073978 562466123 /nfs/dbraw/zinc/46/61/23/562466123.db2.gz ACYGQMILPYCOTE-UHFFFAOYSA-N 1 2 364.453 2.705 20 30 FFEDLO Cc1cc(=NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)[nH]nc1C ZINC000532073978 562466124 /nfs/dbraw/zinc/46/61/24/562466124.db2.gz ACYGQMILPYCOTE-UHFFFAOYSA-N 1 2 364.453 2.705 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C2CC(c3cccc(F)c3)C2)c1C#N ZINC000534062750 562524497 /nfs/dbraw/zinc/52/44/97/562524497.db2.gz ZAYFHNOXIRCCNN-UHFFFAOYSA-N 1 2 355.417 2.705 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2oc3ccccc3c2COC)c1C#N ZINC000534061674 562524515 /nfs/dbraw/zinc/52/45/15/562524515.db2.gz URDVMPSFQWXWDR-UHFFFAOYSA-N 1 2 367.409 2.578 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cccc([C@H]3CCCOC3)c2)c1C#N ZINC000534307672 562530920 /nfs/dbraw/zinc/53/09/20/562530920.db2.gz LIIHFFXZEPTEIT-INIZCTEOSA-N 1 2 367.453 2.580 20 30 FFEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)cc(C)c2C#N)CC1 ZINC001164919275 721812611 /nfs/dbraw/zinc/81/26/11/721812611.db2.gz XPEVAXDCJBEPDW-UHFFFAOYSA-N 1 2 370.888 2.861 20 30 FFEDLO C#CCSCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000120072051 728605269 /nfs/dbraw/zinc/60/52/69/728605269.db2.gz IXDDYUVQYPJRFH-CVEARBPZSA-N 1 2 369.893 2.890 20 30 FFEDLO C#CCSCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000120072051 728605270 /nfs/dbraw/zinc/60/52/70/728605270.db2.gz IXDDYUVQYPJRFH-CVEARBPZSA-N 1 2 369.893 2.890 20 30 FFEDLO C=C(Br)CN[C@@]1(C(=O)OC)CCC[N@H+](Cc2ccccc2)C1 ZINC000121099776 728620654 /nfs/dbraw/zinc/62/06/54/728620654.db2.gz IDLCEDUNZULSSD-KRWDZBQOSA-N 1 2 367.287 2.692 20 30 FFEDLO C=C(Br)CN[C@@]1(C(=O)OC)CCC[N@@H+](Cc2ccccc2)C1 ZINC000121099776 728620656 /nfs/dbraw/zinc/62/06/56/728620656.db2.gz IDLCEDUNZULSSD-KRWDZBQOSA-N 1 2 367.287 2.692 20 30 FFEDLO NC(Cc1cccnc1)=[NH+]OCCOc1cccc(Br)c1 ZINC000137646889 728740442 /nfs/dbraw/zinc/74/04/42/728740442.db2.gz UCYPRCSBFNWIIH-UHFFFAOYSA-N 1 2 350.216 2.754 20 30 FFEDLO C=CCn1c(C)nn(CN2CC[NH+](Cc3cccc(F)c3)CC2)c1=S ZINC000178249453 729158109 /nfs/dbraw/zinc/15/81/09/729158109.db2.gz HIKVTVDUNCKJCY-UHFFFAOYSA-N 1 2 361.490 2.823 20 30 FFEDLO COc1cc(C(=O)/C=C\c2cccc3[nH+]ccn32)ccc1S(C)(=O)=O ZINC000255224866 729634680 /nfs/dbraw/zinc/63/46/80/729634680.db2.gz OILDFBWNTJQLDS-FPLPWBNLSA-N 1 2 356.403 2.643 20 30 FFEDLO C#CCN(Cc1ccc(F)cc1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924766552 738445904 /nfs/dbraw/zinc/44/59/04/738445904.db2.gz JZMWAZPKTAKEPN-UHFFFAOYSA-N 1 2 360.458 2.689 20 30 FFEDLO C=CC[N@H+](Cc1ccc(S(N)(=O)=O)s1)Cc1ccc(OC)cc1 ZINC000637960703 730000441 /nfs/dbraw/zinc/00/04/41/730000441.db2.gz QWLSASATRUVXFC-UHFFFAOYSA-N 1 2 352.481 2.592 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(S(N)(=O)=O)s1)Cc1ccc(OC)cc1 ZINC000637960703 730000444 /nfs/dbraw/zinc/00/04/44/730000444.db2.gz QWLSASATRUVXFC-UHFFFAOYSA-N 1 2 352.481 2.592 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)nn1 ZINC000640958410 730189075 /nfs/dbraw/zinc/18/90/75/730189075.db2.gz UBLVIUSBWCARLC-LBPRGKRZSA-N 1 2 356.817 2.704 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000857237148 730386611 /nfs/dbraw/zinc/38/66/11/730386611.db2.gz OYSRDFXSMQRVTG-QWHCGFSZSA-N 1 2 361.433 2.521 20 30 FFEDLO COc1ccc(-c2nc3c(s2)C(=NNC2=[NH+]C[C@@H](C)N2)CCC3)cc1 ZINC000779800846 738485108 /nfs/dbraw/zinc/48/51/08/738485108.db2.gz QMFWFCIUJZNIGF-LLVKDONJSA-N 1 2 355.467 2.796 20 30 FFEDLO N#C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1cccc(Cl)c1Cl ZINC000865620772 730977742 /nfs/dbraw/zinc/97/77/42/730977742.db2.gz CURHGOOQLJICCG-FWWGQDLDSA-N 1 2 354.237 2.563 20 30 FFEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCN(Cc3ccc(Br)cc3)C(=O)C2)C1 ZINC000879101239 732645883 /nfs/dbraw/zinc/64/58/83/732645883.db2.gz FYEZUEFYESXWQM-ZBFHGGJFSA-N 1 2 362.271 2.786 20 30 FFEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCN(Cc3ccc(Br)cc3)C(=O)C2)C1 ZINC000879101239 732645885 /nfs/dbraw/zinc/64/58/85/732645885.db2.gz FYEZUEFYESXWQM-ZBFHGGJFSA-N 1 2 362.271 2.786 20 30 FFEDLO CC[C@@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1cccc(C#N)c1O ZINC000926880249 738664326 /nfs/dbraw/zinc/66/43/26/738664326.db2.gz SRMYAVCGWQWTAO-PUJMQQBBSA-N 1 2 350.484 2.908 20 30 FFEDLO CCO[C@@H](C)c1noc(CO[NH+]=C(N)c2ccc(Br)cc2)n1 ZINC000782947522 738766714 /nfs/dbraw/zinc/76/67/14/738766714.db2.gz ALMRYBIZQOFPSK-VIFPVBQESA-N 1 2 369.219 2.767 20 30 FFEDLO CCO[C@H](C)c1noc(CO[NH+]=C(N)c2ccc(Br)cc2)n1 ZINC000782947521 738766734 /nfs/dbraw/zinc/76/67/34/738766734.db2.gz ALMRYBIZQOFPSK-SECBINFHSA-N 1 2 369.219 2.767 20 30 FFEDLO C[C@H]1CCCC[C@@H]1NC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949215 738766952 /nfs/dbraw/zinc/76/69/52/738766952.db2.gz RLMYYUWHTCVCHD-FZMZJTMJSA-N 1 2 368.275 2.781 20 30 FFEDLO C[N@@H+]1CCO[C@@H]([C@@H](NCc2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000783294838 738798359 /nfs/dbraw/zinc/79/83/59/738798359.db2.gz WZFICMJNGJEXFI-MOPGFXCFSA-N 1 2 356.857 2.768 20 30 FFEDLO C[N@H+]1CCO[C@@H]([C@@H](NCc2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000783294838 738798361 /nfs/dbraw/zinc/79/83/61/738798361.db2.gz WZFICMJNGJEXFI-MOPGFXCFSA-N 1 2 356.857 2.768 20 30 FFEDLO CN1CCO[C@@H]([C@@H]([NH2+]Cc2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000783294838 738798362 /nfs/dbraw/zinc/79/83/62/738798362.db2.gz WZFICMJNGJEXFI-MOPGFXCFSA-N 1 2 356.857 2.768 20 30 FFEDLO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1ccc(C#N)cc1Cl ZINC000784354004 738882263 /nfs/dbraw/zinc/88/22/63/738882263.db2.gz MPDODJBQYKVAQD-UHFFFAOYSA-N 1 2 353.850 2.531 20 30 FFEDLO CC(C)(C)OC(=O)NCC[N@@H+](CCO)Cc1ccc(C#N)cc1Cl ZINC000784354004 738882269 /nfs/dbraw/zinc/88/22/69/738882269.db2.gz MPDODJBQYKVAQD-UHFFFAOYSA-N 1 2 353.850 2.531 20 30 FFEDLO C[C@H](O[NH+]=C(N)c1ccc(F)cc1)C(=O)N1CCSc2ccccc21 ZINC000749787305 735747974 /nfs/dbraw/zinc/74/79/74/735747974.db2.gz JSMKUCVTHTZXGS-LBPRGKRZSA-N 1 2 359.426 2.990 20 30 FFEDLO CCOC(=O)[C@@H]1CCC(=NNCCCn2cc[nH+]c2)C[C@@H]1C(F)(F)F ZINC000901262472 735761918 /nfs/dbraw/zinc/76/19/18/735761918.db2.gz YWFNFCZUSJKRPV-KGLIPLIRSA-N 1 2 360.380 2.761 20 30 FFEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000903263444 736069118 /nfs/dbraw/zinc/06/91/18/736069118.db2.gz NCSMEEYBKFHTBH-SECBINFHSA-N 1 2 357.407 2.862 20 30 FFEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1ccc(Cl)c(F)c1 ZINC000755753776 736276455 /nfs/dbraw/zinc/27/64/55/736276455.db2.gz RMLVYBKUKHKWRO-UHFFFAOYSA-N 1 2 351.813 2.804 20 30 FFEDLO N#CC1(C[C@@H](O)C[NH2+]CC(F)(F)c2cc(F)cc(F)c2)CCOCC1 ZINC000905417094 736338539 /nfs/dbraw/zinc/33/85/39/736338539.db2.gz GLFIPRVRFOOVLY-OAHLLOKOSA-N 1 2 360.351 2.718 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2c(C#N)sc3ccccc32)C1 ZINC000907074905 736580077 /nfs/dbraw/zinc/58/00/77/736580077.db2.gz SVQQPYCRZRXYKR-LBPRGKRZSA-N 1 2 372.475 2.685 20 30 FFEDLO C#C[C@H]([NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)[C@H]1CCCO1 ZINC000775344043 738085581 /nfs/dbraw/zinc/08/55/81/738085581.db2.gz CEILYFONVBYBAQ-DZGCQCFKSA-N 1 2 351.237 2.845 20 30 FFEDLO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000778426168 738382020 /nfs/dbraw/zinc/38/20/20/738382020.db2.gz CWTRERBTGSNCAB-PJIJBLCYSA-N 1 2 357.479 2.955 20 30 FFEDLO C[C@@H]1CC[C@@](CO)([N@@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000778426168 738382021 /nfs/dbraw/zinc/38/20/21/738382021.db2.gz CWTRERBTGSNCAB-PJIJBLCYSA-N 1 2 357.479 2.955 20 30 FFEDLO CCCS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929274106 738963932 /nfs/dbraw/zinc/96/39/32/738963932.db2.gz RPNZGIWMBCQINW-UHFFFAOYSA-N 1 2 355.891 2.505 20 30 FFEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCc2ccns2)CC1 ZINC000929872009 739031167 /nfs/dbraw/zinc/03/11/67/739031167.db2.gz RGOQKVWXVQTZOX-UHFFFAOYSA-N 1 2 355.423 2.627 20 30 FFEDLO Cn1ccc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000932138519 739393570 /nfs/dbraw/zinc/39/35/70/739393570.db2.gz WRNHPCHASULTTD-CQSZACIVSA-N 1 2 357.845 2.763 20 30 FFEDLO Cn1ccc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000932138519 739393575 /nfs/dbraw/zinc/39/35/75/739393575.db2.gz WRNHPCHASULTTD-CQSZACIVSA-N 1 2 357.845 2.763 20 30 FFEDLO CCN(C)C(=O)C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944466 739541673 /nfs/dbraw/zinc/54/16/73/739541673.db2.gz VOXVZJVFVHMSHW-HTQZYQBOSA-N 1 2 368.268 2.568 20 30 FFEDLO Cc1nc(C#N)c(N[NH2+]C=C2CC(F)(F)CN2C(=O)OC(C)(C)C)o1 ZINC000792987448 739727353 /nfs/dbraw/zinc/72/73/53/739727353.db2.gz RMEDQIDGELMTER-JTQLQIEISA-N 1 2 355.345 2.897 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCCCCNC(=O)CC1 ZINC000934154187 739736802 /nfs/dbraw/zinc/73/68/02/739736802.db2.gz CHJMANMDAHABSR-UHFFFAOYSA-N 1 2 350.260 2.813 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCCCCNC(=O)CC1 ZINC000934154187 739736805 /nfs/dbraw/zinc/73/68/05/739736805.db2.gz CHJMANMDAHABSR-UHFFFAOYSA-N 1 2 350.260 2.813 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](CN3CCSC3=S)CC2)c(F)c1 ZINC000795713451 740055359 /nfs/dbraw/zinc/05/53/59/740055359.db2.gz GTAFQWFWXPTJIU-UHFFFAOYSA-N 1 2 351.472 2.832 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000951785349 740446532 /nfs/dbraw/zinc/44/65/32/740446532.db2.gz JUVAGYUXSXKUSW-YUELXQCFSA-N 1 2 361.313 2.694 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000801569941 740632718 /nfs/dbraw/zinc/63/27/18/740632718.db2.gz JSTLIOVCMKWNHA-AWEZNQCLSA-N 1 2 353.344 2.614 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000801569941 740632721 /nfs/dbraw/zinc/63/27/21/740632721.db2.gz JSTLIOVCMKWNHA-AWEZNQCLSA-N 1 2 353.344 2.614 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)CC1(C)C ZINC000975069051 740921791 /nfs/dbraw/zinc/92/17/91/740921791.db2.gz YWYAUUUNMUZTRV-OWCLPIDISA-N 1 2 363.889 2.653 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)n2)CC1(C)C ZINC000975069051 740921794 /nfs/dbraw/zinc/92/17/94/740921794.db2.gz YWYAUUUNMUZTRV-OWCLPIDISA-N 1 2 363.889 2.653 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2cccc(Cl)n2)CC1(C)C ZINC000975069053 740921914 /nfs/dbraw/zinc/92/19/14/740921914.db2.gz YWYAUUUNMUZTRV-PMPSAXMXSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2cccc(Cl)n2)CC1(C)C ZINC000975069053 740921917 /nfs/dbraw/zinc/92/19/17/740921917.db2.gz YWYAUUUNMUZTRV-PMPSAXMXSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2ccncc2Cl)CC1(C)C ZINC000975068669 740921938 /nfs/dbraw/zinc/92/19/38/740921938.db2.gz YGCVMLCJSHFEIV-PVAVHDDUSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2ccncc2Cl)CC1(C)C ZINC000975068669 740921941 /nfs/dbraw/zinc/92/19/41/740921941.db2.gz YGCVMLCJSHFEIV-PVAVHDDUSA-N 1 2 363.889 2.653 20 30 FFEDLO Cc1nsc(N2CC[NH+](C[C@@H](O)c3ccc(F)cc3C)CC2)c1C#N ZINC000810065238 741380101 /nfs/dbraw/zinc/38/01/01/741380101.db2.gz NJKRKTFWHAXCAF-QGZVFWFLSA-N 1 2 360.458 2.626 20 30 FFEDLO C[NH+]1CCN(c2ccc(Nc3cncc(C#N)n3)cc2Br)CC1 ZINC000817121795 742089391 /nfs/dbraw/zinc/08/93/91/742089391.db2.gz VWYJQMWRVKCUSN-UHFFFAOYSA-N 1 2 373.258 2.606 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@H+](Cc2nc(C)cs2)CC1 ZINC001001254641 742113638 /nfs/dbraw/zinc/11/36/38/742113638.db2.gz PIVCQBMKPYPGES-WMZOPIPTSA-N 1 2 361.511 2.681 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@@H+](Cc2nc(C)cs2)CC1 ZINC001001254641 742113641 /nfs/dbraw/zinc/11/36/41/742113641.db2.gz PIVCQBMKPYPGES-WMZOPIPTSA-N 1 2 361.511 2.681 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001015817224 742482462 /nfs/dbraw/zinc/48/24/62/742482462.db2.gz XXQKQNHWVFZCBR-RYRKJORJSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001015817224 742482464 /nfs/dbraw/zinc/48/24/64/742482464.db2.gz XXQKQNHWVFZCBR-RYRKJORJSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001015826973 742484120 /nfs/dbraw/zinc/48/41/20/742484120.db2.gz LANDXVGPZQPZMS-VKJFTORMSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001015826973 742484124 /nfs/dbraw/zinc/48/41/24/742484124.db2.gz LANDXVGPZQPZMS-VKJFTORMSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](C/C(Cl)=C\Cl)CC2 ZINC001016836789 742496209 /nfs/dbraw/zinc/49/62/09/742496209.db2.gz ODFKBXVJPQNHGJ-RESNYNFGSA-N 1 2 359.297 2.867 20 30 FFEDLO C#C[C@H](NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)c1ccc(Cl)cc1F ZINC000820754970 742545508 /nfs/dbraw/zinc/54/55/08/742545508.db2.gz FQPCDCPGHPLGTB-DCGLDWPTSA-N 1 2 367.852 2.562 20 30 FFEDLO C#C[C@H](NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)c1ccc(Cl)cc1F ZINC000820754970 742545513 /nfs/dbraw/zinc/54/55/13/742545513.db2.gz FQPCDCPGHPLGTB-DCGLDWPTSA-N 1 2 367.852 2.562 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC001027585721 742774846 /nfs/dbraw/zinc/77/48/46/742774846.db2.gz OAOCLIRFIHOMSS-ZACQAIPSSA-N 1 2 363.527 2.719 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC001027585721 742774851 /nfs/dbraw/zinc/77/48/51/742774851.db2.gz OAOCLIRFIHOMSS-ZACQAIPSSA-N 1 2 363.527 2.719 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC#Cc2ccccc2Cl)O1 ZINC001028148328 742787202 /nfs/dbraw/zinc/78/72/02/742787202.db2.gz BQFSAJIOCXZTPG-HHXXYDBFSA-N 1 2 360.885 2.840 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC#Cc2ccccc2Cl)O1 ZINC001028148328 742787205 /nfs/dbraw/zinc/78/72/05/742787205.db2.gz BQFSAJIOCXZTPG-HHXXYDBFSA-N 1 2 360.885 2.840 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC001033432631 742886826 /nfs/dbraw/zinc/88/68/26/742886826.db2.gz PWELUVYQPCHHAI-UXLLHSPISA-N 1 2 350.409 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001033432631 742886829 /nfs/dbraw/zinc/88/68/29/742886829.db2.gz PWELUVYQPCHHAI-UXLLHSPISA-N 1 2 350.409 2.589 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001033901062 742902206 /nfs/dbraw/zinc/90/22/06/742902206.db2.gz XFHDEAQFJOQWDN-OAGGEKHMSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001033901062 742902211 /nfs/dbraw/zinc/90/22/11/742902211.db2.gz XFHDEAQFJOQWDN-OAGGEKHMSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001033960109 742908258 /nfs/dbraw/zinc/90/82/58/742908258.db2.gz MGTUYWLDISMLNP-BBWFWOEESA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001033960109 742908264 /nfs/dbraw/zinc/90/82/64/742908264.db2.gz MGTUYWLDISMLNP-BBWFWOEESA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC(=C)Br)C1 ZINC001034211537 742911848 /nfs/dbraw/zinc/91/18/48/742911848.db2.gz BLMVQSRPIOBPLH-XHSDSOJGSA-N 1 2 371.319 2.847 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC(=C)Br)C1 ZINC001034211537 742911851 /nfs/dbraw/zinc/91/18/51/742911851.db2.gz BLMVQSRPIOBPLH-XHSDSOJGSA-N 1 2 371.319 2.847 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001039404750 742991207 /nfs/dbraw/zinc/99/12/07/742991207.db2.gz RSCHFCTVJRFTLW-VSZNYVQBSA-N 1 2 352.906 2.867 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001039404750 742991209 /nfs/dbraw/zinc/99/12/09/742991209.db2.gz RSCHFCTVJRFTLW-VSZNYVQBSA-N 1 2 352.906 2.867 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001046958519 743342984 /nfs/dbraw/zinc/34/29/84/743342984.db2.gz NLJAVWSUFSZBII-ZQDZILKHSA-N 1 2 362.848 2.627 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001046958519 743342992 /nfs/dbraw/zinc/34/29/92/743342992.db2.gz NLJAVWSUFSZBII-ZQDZILKHSA-N 1 2 362.848 2.627 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2C/C(Cl)=C\Cl ZINC001049731528 743481742 /nfs/dbraw/zinc/48/17/42/743481742.db2.gz BGQRXJRJFWCUIO-KICNWOBRSA-N 1 2 359.297 2.962 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C/C(Cl)=C\Cl ZINC001049731528 743481745 /nfs/dbraw/zinc/48/17/45/743481745.db2.gz BGQRXJRJFWCUIO-KICNWOBRSA-N 1 2 359.297 2.962 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000827798213 744980284 /nfs/dbraw/zinc/98/02/84/744980284.db2.gz NMDWHLLIUFSBBB-JLZZUVOBSA-N 1 2 352.837 2.769 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000827798213 744980288 /nfs/dbraw/zinc/98/02/88/744980288.db2.gz NMDWHLLIUFSBBB-JLZZUVOBSA-N 1 2 352.837 2.769 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)CO2 ZINC001053848328 744999891 /nfs/dbraw/zinc/99/98/91/744999891.db2.gz XZPKRQDBJNKHQK-KFWWJZLASA-N 1 2 360.420 2.891 20 30 FFEDLO Cc1ccc(C#N)cc1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000828233350 745046427 /nfs/dbraw/zinc/04/64/27/745046427.db2.gz AFHNLKZELINHCY-UHFFFAOYSA-N 1 2 352.463 2.745 20 30 FFEDLO CC[C@H](CO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1)OC ZINC000842041348 747507538 /nfs/dbraw/zinc/50/75/38/747507538.db2.gz ZXCUDLFHRDTFGD-OAHLLOKOSA-N 1 2 351.447 2.773 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)C(F)(F)c2ccccc2OC(C)C)CC1 ZINC000847416739 748696074 /nfs/dbraw/zinc/69/60/74/748696074.db2.gz RBQWGQNISNLFEL-UHFFFAOYSA-N 1 2 350.409 2.733 20 30 FFEDLO COc1cc(Br)c(C=NNCCCn2cc[nH+]c2)cc1OC ZINC000848417857 748921548 /nfs/dbraw/zinc/92/15/48/748921548.db2.gz GJUSHKMEWOEEDA-UHFFFAOYSA-N 1 2 367.247 2.677 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(CC)o3)CC[C@@H]2C1 ZINC001087978905 971440151 /nfs/dbraw/zinc/44/01/51/971440151.db2.gz ZAVMVFOYVDXQIY-KGLIPLIRSA-N 1 2 366.893 2.691 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(CC)o3)CC[C@@H]2C1 ZINC001087978905 971440159 /nfs/dbraw/zinc/44/01/59/971440159.db2.gz ZAVMVFOYVDXQIY-KGLIPLIRSA-N 1 2 366.893 2.691 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2ccc(F)cn2)CC1(C)C ZINC000974589985 972027161 /nfs/dbraw/zinc/02/71/61/972027161.db2.gz WSXWWHBZJZENQJ-SQNIBIBYSA-N 1 2 361.461 2.529 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2ccc(F)cn2)CC1(C)C ZINC000974589985 972027166 /nfs/dbraw/zinc/02/71/66/972027166.db2.gz WSXWWHBZJZENQJ-SQNIBIBYSA-N 1 2 361.461 2.529 20 30 FFEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000975064515 972335454 /nfs/dbraw/zinc/33/54/54/972335454.db2.gz OMZMNGVWMZACJT-ZAWLATJESA-N 1 2 371.456 2.591 20 30 FFEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000975064515 972335457 /nfs/dbraw/zinc/33/54/57/972335457.db2.gz OMZMNGVWMZACJT-ZAWLATJESA-N 1 2 371.456 2.591 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2ccc(F)cc2F)CC1(C)C ZINC000975052528 972345571 /nfs/dbraw/zinc/34/55/71/972345571.db2.gz AUDXFPXEHHYNLU-NJAFHUGGSA-N 1 2 364.436 2.883 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2ccc(F)cc2F)CC1(C)C ZINC000975052528 972345575 /nfs/dbraw/zinc/34/55/75/972345575.db2.gz AUDXFPXEHHYNLU-NJAFHUGGSA-N 1 2 364.436 2.883 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C2CC2)no1 ZINC001029511718 972395117 /nfs/dbraw/zinc/39/51/17/972395117.db2.gz ZGHRSUXGIDVJEY-WQDJSCAQSA-N 1 2 371.481 2.708 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C2CC2)no1 ZINC001029511718 972395122 /nfs/dbraw/zinc/39/51/22/972395122.db2.gz ZGHRSUXGIDVJEY-WQDJSCAQSA-N 1 2 371.481 2.708 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cncc(OC)n3)C[C@H]2C)CCCC1 ZINC001211495195 959319349 /nfs/dbraw/zinc/31/93/49/959319349.db2.gz GUVWKISGCDXPMQ-NVXWUHKLSA-N 1 2 358.486 2.558 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cncc(OC)n3)C[C@H]2C)CCCC1 ZINC001211495195 959319362 /nfs/dbraw/zinc/31/93/62/959319362.db2.gz GUVWKISGCDXPMQ-NVXWUHKLSA-N 1 2 358.486 2.558 20 30 FFEDLO C[C@H](NC(=O)[C@]12CCC[C@H]1OCC2)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970143049 960265697 /nfs/dbraw/zinc/26/56/97/960265697.db2.gz LSCAJMUKFQXODG-ZKYUUJBMSA-N 1 2 371.456 2.593 20 30 FFEDLO CC(C)c1cc([C@@H]2CCC[N@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)[nH]n1 ZINC000872789783 1013262422 /nfs/dbraw/zinc/26/24/22/1013262422.db2.gz DTMDLFNXYFDSSS-MRXNPFEDSA-N 1 2 365.481 2.892 20 30 FFEDLO CC(C)c1cc([C@@H]2CCC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)[nH]n1 ZINC000872789783 1013262427 /nfs/dbraw/zinc/26/24/27/1013262427.db2.gz DTMDLFNXYFDSSS-MRXNPFEDSA-N 1 2 365.481 2.892 20 30 FFEDLO CC(C)c1cc([C@@H]2CCC[N@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)n[nH]1 ZINC000872789783 1013262436 /nfs/dbraw/zinc/26/24/36/1013262436.db2.gz DTMDLFNXYFDSSS-MRXNPFEDSA-N 1 2 365.481 2.892 20 30 FFEDLO CC(C)c1cc([C@@H]2CCC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)n[nH]1 ZINC000872789783 1013262442 /nfs/dbraw/zinc/26/24/42/1013262442.db2.gz DTMDLFNXYFDSSS-MRXNPFEDSA-N 1 2 365.481 2.892 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c2noc(C)n2)C1 ZINC001104293934 962368443 /nfs/dbraw/zinc/36/84/43/962368443.db2.gz MENNGCUCGUTQFC-HLLBOEOZSA-N 1 2 371.485 2.815 20 30 FFEDLO N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1ccc(NCCn3cc[nH+]c3)cc1)C2 ZINC001175029930 1013371089 /nfs/dbraw/zinc/37/10/89/1013371089.db2.gz MXWFUXZXLUCNHJ-NRFANRHFSA-N 1 2 371.444 2.764 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(F)(F)C(F)F)CC1 ZINC001167435195 963203305 /nfs/dbraw/zinc/20/33/05/963203305.db2.gz NDQQKRDVMDRGDG-STQMWFEESA-N 1 2 366.399 2.744 20 30 FFEDLO C=CCn1ncc2ccc(NC(=O)N3C[C@@H]([NH+]4CCOCC4)C[C@@H]3C)cc21 ZINC000933077499 963432524 /nfs/dbraw/zinc/43/25/24/963432524.db2.gz NIKOUKQDYGFWIU-YJBOKZPZSA-N 1 2 369.469 2.549 20 30 FFEDLO C=CCN(CC[NH+]1CCN(C(=O)CC(C)C)CC1)C(=O)OC(C)(C)C ZINC001207203622 964164660 /nfs/dbraw/zinc/16/46/60/964164660.db2.gz KRAPMLCXKXUUJQ-UHFFFAOYSA-N 1 2 353.507 2.600 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncc(C(C)C)o1 ZINC000960884959 1013507942 /nfs/dbraw/zinc/50/79/42/1013507942.db2.gz SZUYJCNIWJBXRS-BBWFWOEESA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncc(C(C)C)o1 ZINC000960884959 1013507952 /nfs/dbraw/zinc/50/79/52/1013507952.db2.gz SZUYJCNIWJBXRS-BBWFWOEESA-N 1 2 361.486 2.812 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@@H]2c2ccc(F)cc2)nc1 ZINC001087469239 965290943 /nfs/dbraw/zinc/29/09/43/965290943.db2.gz RFADXHUJZCLHJL-UYAOXDASSA-N 1 2 369.415 2.759 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@@H]2c2ccc(F)cc2)nc1 ZINC001087469239 965290956 /nfs/dbraw/zinc/29/09/56/965290956.db2.gz RFADXHUJZCLHJL-UYAOXDASSA-N 1 2 369.415 2.759 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC001087477106 965660648 /nfs/dbraw/zinc/66/06/48/965660648.db2.gz VHSPCALUEPVVEV-WMZOPIPTSA-N 1 2 370.424 2.957 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC001087477106 965660656 /nfs/dbraw/zinc/66/06/56/965660656.db2.gz VHSPCALUEPVVEV-WMZOPIPTSA-N 1 2 370.424 2.957 20 30 FFEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000135043389 966390783 /nfs/dbraw/zinc/39/07/83/966390783.db2.gz AKIWESRLCWSPMX-KRWDZBQOSA-N 1 2 373.928 2.756 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc(C#N)cc1 ZINC000046527133 966953843 /nfs/dbraw/zinc/95/38/43/966953843.db2.gz HPJWXRRATAXZEK-UHFFFAOYSA-N 1 2 362.433 2.521 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc(C#N)cc1 ZINC000046527133 966953848 /nfs/dbraw/zinc/95/38/48/966953848.db2.gz HPJWXRRATAXZEK-UHFFFAOYSA-N 1 2 362.433 2.521 20 30 FFEDLO N#CCC(=O)N1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000895065693 967345556 /nfs/dbraw/zinc/34/55/56/967345556.db2.gz HMKMKTZPKOIEAV-UHFFFAOYSA-N 1 2 374.444 2.695 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C(C)C)n(-c3ccccc3)n2)CC1 ZINC000155797296 967397874 /nfs/dbraw/zinc/39/78/74/967397874.db2.gz HTJXCESSAFKWQO-UHFFFAOYSA-N 1 2 350.466 2.777 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(Cl)c3Cl)[C@H]2C1 ZINC001083257850 967469463 /nfs/dbraw/zinc/46/94/63/967469463.db2.gz YFEZPZHTAXMYDP-LSDHHAIUSA-N 1 2 353.249 2.542 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(Cl)c3Cl)[C@H]2C1 ZINC001083257850 967469467 /nfs/dbraw/zinc/46/94/67/967469467.db2.gz YFEZPZHTAXMYDP-LSDHHAIUSA-N 1 2 353.249 2.542 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cncc(C)c2)[C@H]1CC ZINC001087529536 967728001 /nfs/dbraw/zinc/72/80/01/967728001.db2.gz KNPYLMFOLIZRCD-LSDHHAIUSA-N 1 2 352.276 2.881 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cncc(C)c2)[C@H]1CC ZINC001087529536 967728014 /nfs/dbraw/zinc/72/80/14/967728014.db2.gz KNPYLMFOLIZRCD-LSDHHAIUSA-N 1 2 352.276 2.881 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1coc(C2CC2)n1 ZINC001087535497 967887344 /nfs/dbraw/zinc/88/73/44/967887344.db2.gz NBTDUSGQMVAOQK-DOTOQJQBSA-N 1 2 353.426 2.535 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1coc(C2CC2)n1 ZINC001087535497 967887358 /nfs/dbraw/zinc/88/73/58/967887358.db2.gz NBTDUSGQMVAOQK-DOTOQJQBSA-N 1 2 353.426 2.535 20 30 FFEDLO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329755293 968006080 /nfs/dbraw/zinc/00/60/80/968006080.db2.gz LLVBMLZEJFFRLY-HOCLYGCPSA-N 1 2 361.490 2.540 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CC(OCC)C2)[C@H]1CC ZINC001087562440 968149879 /nfs/dbraw/zinc/14/98/79/968149879.db2.gz YPRPCSHCUZCVKN-PFSRBDOWSA-N 1 2 359.308 2.679 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CC(OCC)C2)[C@H]1CC ZINC001087562440 968149882 /nfs/dbraw/zinc/14/98/82/968149882.db2.gz YPRPCSHCUZCVKN-PFSRBDOWSA-N 1 2 359.308 2.679 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001111482526 968183658 /nfs/dbraw/zinc/18/36/58/968183658.db2.gz OGGSAYBLMXSRCF-QRQLOZEOSA-N 1 2 357.429 2.512 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001111482526 968183670 /nfs/dbraw/zinc/18/36/70/968183670.db2.gz OGGSAYBLMXSRCF-QRQLOZEOSA-N 1 2 357.429 2.512 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ncc(C)o1 ZINC001024701141 969264817 /nfs/dbraw/zinc/26/48/17/969264817.db2.gz LAVZMZBWJRCPTR-AOIWGVFYSA-N 1 2 361.486 2.825 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ncc(C)o1 ZINC001024701141 969264825 /nfs/dbraw/zinc/26/48/25/969264825.db2.gz LAVZMZBWJRCPTR-AOIWGVFYSA-N 1 2 361.486 2.825 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC000177563614 969271854 /nfs/dbraw/zinc/27/18/54/969271854.db2.gz LLYOHUUAZUQANK-FUHWJXTLSA-N 1 2 359.470 2.708 20 30 FFEDLO COC(=O)C1CCN(c2cc(N[C@@H](C)c3cccc(C#N)c3)[nH+]cn2)CC1 ZINC001167708946 969813820 /nfs/dbraw/zinc/81/38/20/969813820.db2.gz QCMKQZTWNIJCTK-AWEZNQCLSA-N 1 2 365.437 2.911 20 30 FFEDLO COC(=O)C1CCN(c2cc(N[C@@H](C)c3cccc(C#N)c3)nc[nH+]2)CC1 ZINC001167708946 969813823 /nfs/dbraw/zinc/81/38/23/969813823.db2.gz QCMKQZTWNIJCTK-AWEZNQCLSA-N 1 2 365.437 2.911 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nsc(N(C)C)n2)C1 ZINC001104607386 969912776 /nfs/dbraw/zinc/91/27/76/969912776.db2.gz RIUOPOLXQKFCOK-HUUCEWRRSA-N 1 2 365.547 2.535 20 30 FFEDLO C[C@H](NC(=O)N1CCC(c2ccc(C#N)cc2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000892838623 970321475 /nfs/dbraw/zinc/32/14/75/970321475.db2.gz PMCSWECOVBEIMR-IRXDYDNUSA-N 1 2 370.497 2.556 20 30 FFEDLO C[C@H]([C@H](C)NC(=O)N1CCC(c2ccc(C#N)cc2)CC1)[NH+]1CCOCC1 ZINC000892838621 970322193 /nfs/dbraw/zinc/32/21/93/970322193.db2.gz PMCSWECOVBEIMR-DLBZAZTESA-N 1 2 370.497 2.556 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cccn2CC)[C@H]1CC ZINC001087831106 970467534 /nfs/dbraw/zinc/46/75/34/970467534.db2.gz SFRRRAPQEXYIQR-UONOGXRCSA-N 1 2 354.292 2.999 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cccn2CC)[C@H]1CC ZINC001087831106 970467541 /nfs/dbraw/zinc/46/75/41/970467541.db2.gz SFRRRAPQEXYIQR-UONOGXRCSA-N 1 2 354.292 2.999 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC001141814692 970695175 /nfs/dbraw/zinc/69/51/75/970695175.db2.gz NOBGCYWICNDYNP-BXUZGUMPSA-N 1 2 351.244 2.952 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC001141814692 970695179 /nfs/dbraw/zinc/69/51/79/970695179.db2.gz NOBGCYWICNDYNP-BXUZGUMPSA-N 1 2 351.244 2.952 20 30 FFEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000875617462 1014054049 /nfs/dbraw/zinc/05/40/49/1014054049.db2.gz IKXBASVNOUAHGT-RTBURBONSA-N 1 2 358.486 2.832 20 30 FFEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000875617462 1014054053 /nfs/dbraw/zinc/05/40/53/1014054053.db2.gz IKXBASVNOUAHGT-RTBURBONSA-N 1 2 358.486 2.832 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H]3CCN(C(=O)C(CC)CC)[C@@H]3C2)c1 ZINC001075564454 973979575 /nfs/dbraw/zinc/97/95/75/973979575.db2.gz SVRTXQHECOSEEJ-AZUAARDMSA-N 1 2 367.493 2.575 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)C(CC)CC)[C@@H]3C2)c1 ZINC001075564454 973979579 /nfs/dbraw/zinc/97/95/79/973979579.db2.gz SVRTXQHECOSEEJ-AZUAARDMSA-N 1 2 367.493 2.575 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2cc(C)on2)CC1(C)C ZINC000977271595 974718900 /nfs/dbraw/zinc/71/89/00/974718900.db2.gz GYUPCLZBYHLKRZ-BZSNNMDCSA-N 1 2 361.486 2.681 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[N@@H+](Cc2cc(C)on2)CC1(C)C ZINC000977271595 974718910 /nfs/dbraw/zinc/71/89/10/974718910.db2.gz GYUPCLZBYHLKRZ-BZSNNMDCSA-N 1 2 361.486 2.681 20 30 FFEDLO N#Cc1c(F)cccc1N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066802288 1014304349 /nfs/dbraw/zinc/30/43/49/1014304349.db2.gz IYEZZBUFBASNME-RRFJBIMHSA-N 1 2 367.428 2.699 20 30 FFEDLO N#Cc1c(F)cccc1N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066802288 1014304363 /nfs/dbraw/zinc/30/43/63/1014304363.db2.gz IYEZZBUFBASNME-RRFJBIMHSA-N 1 2 367.428 2.699 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc4n(n3)CCCC4)[C@@H]2C)cc1 ZINC001088787117 976223285 /nfs/dbraw/zinc/22/32/85/976223285.db2.gz RCUZLCWMBVXEFY-IERDGZPVSA-N 1 2 362.477 2.594 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc4n(n3)CCCC4)[C@@H]2C)cc1 ZINC001088787117 976223299 /nfs/dbraw/zinc/22/32/99/976223299.db2.gz RCUZLCWMBVXEFY-IERDGZPVSA-N 1 2 362.477 2.594 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCOc3ccccc3[C@@H]2C)c1 ZINC001167866896 977041312 /nfs/dbraw/zinc/04/13/12/977041312.db2.gz BLIBSXLZWPFAQH-HNNXBMFYSA-N 1 2 363.417 2.772 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCOc3ccccc3[C@@H]2C)c1 ZINC001167866896 977041323 /nfs/dbraw/zinc/04/13/23/977041323.db2.gz BLIBSXLZWPFAQH-HNNXBMFYSA-N 1 2 363.417 2.772 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(-c4cccs4)on3)C[C@H]21 ZINC001075616566 977328361 /nfs/dbraw/zinc/32/83/61/977328361.db2.gz XEEXWBDVCJCIKK-KCQAQPDRSA-N 1 2 356.451 2.595 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(-c4cccs4)on3)C[C@H]21 ZINC001075616566 977328366 /nfs/dbraw/zinc/32/83/66/977328366.db2.gz XEEXWBDVCJCIKK-KCQAQPDRSA-N 1 2 356.451 2.595 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)nn1 ZINC000653596749 1014388650 /nfs/dbraw/zinc/38/86/50/1014388650.db2.gz KFLCGLGKJMEFQE-OAHLLOKOSA-N 1 2 367.375 2.921 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)nn1 ZINC000653596749 1014388662 /nfs/dbraw/zinc/38/86/62/1014388662.db2.gz KFLCGLGKJMEFQE-OAHLLOKOSA-N 1 2 367.375 2.921 20 30 FFEDLO COC(=O)CC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)CC(C)C ZINC000728917968 977495222 /nfs/dbraw/zinc/49/52/22/977495222.db2.gz OZKQHWCEOJWXEH-CQSZACIVSA-N 1 2 373.478 2.994 20 30 FFEDLO COC(=O)CC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)CC(C)C ZINC000728917968 977495229 /nfs/dbraw/zinc/49/52/29/977495229.db2.gz OZKQHWCEOJWXEH-CQSZACIVSA-N 1 2 373.478 2.994 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC001087462915 978130170 /nfs/dbraw/zinc/13/01/70/978130170.db2.gz GHEQQGHFGNJHBV-QZTJIDSGSA-N 1 2 355.413 2.652 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC001087462915 978130175 /nfs/dbraw/zinc/13/01/75/978130175.db2.gz GHEQQGHFGNJHBV-QZTJIDSGSA-N 1 2 355.413 2.652 20 30 FFEDLO C[NH+](C)CCOc1ccc(CC/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000729149020 978190476 /nfs/dbraw/zinc/19/04/76/978190476.db2.gz GOWGFNLJVONBFA-XSFVSMFZSA-N 1 2 357.410 2.902 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccncc2F)C1 ZINC001087463377 978221461 /nfs/dbraw/zinc/22/14/61/978221461.db2.gz HBWPSFRGZBCLPF-VQIMIIECSA-N 1 2 355.388 2.581 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccncc2F)C1 ZINC001087463377 978221467 /nfs/dbraw/zinc/22/14/67/978221467.db2.gz HBWPSFRGZBCLPF-VQIMIIECSA-N 1 2 355.388 2.581 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@@H]2c2ccc(F)cc2)[nH]1 ZINC001087463970 978259826 /nfs/dbraw/zinc/25/98/26/978259826.db2.gz JYYGWKIQXCRDKB-SJLPKXTDSA-N 1 2 358.392 2.583 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@@H]2c2ccc(F)cc2)[nH]1 ZINC001087463970 978259830 /nfs/dbraw/zinc/25/98/30/978259830.db2.gz JYYGWKIQXCRDKB-SJLPKXTDSA-N 1 2 358.392 2.583 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)c4nc(CC)no4)C[C@H]32)cc1 ZINC001076119493 979128555 /nfs/dbraw/zinc/12/85/55/979128555.db2.gz MZHHYQRIXLQLML-JCGIZDLHSA-N 1 2 364.449 2.521 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)c4nc(CC)no4)C[C@H]32)cc1 ZINC001076119493 979128556 /nfs/dbraw/zinc/12/85/56/979128556.db2.gz MZHHYQRIXLQLML-JCGIZDLHSA-N 1 2 364.449 2.521 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cccc3)[C@@H]2C1 ZINC001076476981 979556557 /nfs/dbraw/zinc/55/65/57/979556557.db2.gz KNOQYOHLZHHCAV-OWCLPIDISA-N 1 2 366.303 2.881 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cccc3)[C@@H]2C1 ZINC001076476981 979556564 /nfs/dbraw/zinc/55/65/64/979556564.db2.gz KNOQYOHLZHHCAV-OWCLPIDISA-N 1 2 366.303 2.881 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nnc(-c4ccco4)o3)[C@@H]2C)C1 ZINC001088844325 979633266 /nfs/dbraw/zinc/63/32/66/979633266.db2.gz MNLMZOZRWSVJEQ-KGLIPLIRSA-N 1 2 356.426 2.765 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(-c4ccco4)o3)[C@@H]2C)C1 ZINC001088844325 979633272 /nfs/dbraw/zinc/63/32/72/979633272.db2.gz MNLMZOZRWSVJEQ-KGLIPLIRSA-N 1 2 356.426 2.765 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCCOC3)[C@@H]2C1 ZINC001076581140 979677407 /nfs/dbraw/zinc/67/74/07/979677407.db2.gz VUKNLWVDPAZKGJ-OXFYSEKESA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCCOC3)[C@@H]2C1 ZINC001076581140 979677411 /nfs/dbraw/zinc/67/74/11/979677411.db2.gz VUKNLWVDPAZKGJ-OXFYSEKESA-N 1 2 371.456 2.547 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]21)c1ccccc1 ZINC001076597524 979696739 /nfs/dbraw/zinc/69/67/39/979696739.db2.gz FMYUIULGWUTIJR-IPMKNSEASA-N 1 2 351.450 2.986 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]21)c1ccccc1 ZINC001076597524 979696742 /nfs/dbraw/zinc/69/67/42/979696742.db2.gz FMYUIULGWUTIJR-IPMKNSEASA-N 1 2 351.450 2.986 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]21)c1ccccc1 ZINC001076599253 979701117 /nfs/dbraw/zinc/70/11/17/979701117.db2.gz IFXZSJCJTLNQAN-DFQSSKMNSA-N 1 2 351.450 2.986 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3coc(C)n3)C[C@H]21)c1ccccc1 ZINC001076599253 979701124 /nfs/dbraw/zinc/70/11/24/979701124.db2.gz IFXZSJCJTLNQAN-DFQSSKMNSA-N 1 2 351.450 2.986 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cccn2C)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088472408 979761729 /nfs/dbraw/zinc/76/17/29/979761729.db2.gz KSLPSRXYQKSSGP-QAPCUYQASA-N 1 2 355.869 2.923 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cccn2C)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088472408 979761735 /nfs/dbraw/zinc/76/17/35/979761735.db2.gz KSLPSRXYQKSSGP-QAPCUYQASA-N 1 2 355.869 2.923 20 30 FFEDLO CC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)CCCCCC1 ZINC001077149331 980024321 /nfs/dbraw/zinc/02/43/21/980024321.db2.gz DDSKKMANHJMIGJ-IAGOWNOFSA-N 1 2 361.511 2.642 20 30 FFEDLO CC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)CCCCCC1 ZINC001077149331 980024326 /nfs/dbraw/zinc/02/43/26/980024326.db2.gz DDSKKMANHJMIGJ-IAGOWNOFSA-N 1 2 361.511 2.642 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C2=COCCC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088491270 980036469 /nfs/dbraw/zinc/03/64/69/980036469.db2.gz RRZUIVYQKMRIHL-BEFAXECRSA-N 1 2 358.869 2.965 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C2=COCCC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088491270 980036474 /nfs/dbraw/zinc/03/64/74/980036474.db2.gz RRZUIVYQKMRIHL-BEFAXECRSA-N 1 2 358.869 2.965 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccncc2F)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088504004 980183585 /nfs/dbraw/zinc/18/35/85/980183585.db2.gz MXNCLMNMRDZFTA-KUHUBIRLSA-N 1 2 355.388 2.604 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccncc2F)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088504004 980183589 /nfs/dbraw/zinc/18/35/89/980183589.db2.gz MXNCLMNMRDZFTA-KUHUBIRLSA-N 1 2 355.388 2.604 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc([C@@H]2CCC(C)(C)c3ccccc32)no1 ZINC000904125560 980191030 /nfs/dbraw/zinc/19/10/30/980191030.db2.gz YBSICEFNCNDISI-ZBFHGGJFSA-N 1 2 355.438 2.872 20 30 FFEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000668429977 980359235 /nfs/dbraw/zinc/35/92/35/980359235.db2.gz WRLOMCBZDDRRPQ-ZWKOTPCHSA-N 1 2 370.497 2.549 20 30 FFEDLO CCOC(=O)Cn1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(-c2ccccc2)n1 ZINC000877637400 1014654642 /nfs/dbraw/zinc/65/46/42/1014654642.db2.gz UIGBYHLZSCYGAQ-FQEVSTJZSA-N 1 2 352.438 2.849 20 30 FFEDLO CCOC(=O)Cn1cc(C[N@H+]2CC[C@@](C)(C#N)C2)c(-c2ccccc2)n1 ZINC000877637400 1014654651 /nfs/dbraw/zinc/65/46/51/1014654651.db2.gz UIGBYHLZSCYGAQ-FQEVSTJZSA-N 1 2 352.438 2.849 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1cc(-c2ccco2)on1 ZINC001088529215 980446790 /nfs/dbraw/zinc/44/67/90/980446790.db2.gz LMEVAPYHRYPMGP-DOMZBBRYSA-N 1 2 365.393 2.527 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1cc(-c2ccco2)on1 ZINC001088529215 980446794 /nfs/dbraw/zinc/44/67/94/980446794.db2.gz LMEVAPYHRYPMGP-DOMZBBRYSA-N 1 2 365.393 2.527 20 30 FFEDLO Cc1ccc(CC(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@@H]2C)o1 ZINC001088529927 980451804 /nfs/dbraw/zinc/45/18/04/980451804.db2.gz WAAMNDBPRXJYFL-KUHUBIRLSA-N 1 2 355.413 2.921 20 30 FFEDLO Cc1ccc(CC(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@@H]2C)o1 ZINC001088529927 980451809 /nfs/dbraw/zinc/45/18/09/980451809.db2.gz WAAMNDBPRXJYFL-KUHUBIRLSA-N 1 2 355.413 2.921 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1cc(-c2ccco2)on1 ZINC001088533129 980462486 /nfs/dbraw/zinc/46/24/86/980462486.db2.gz AMRGIXOVPIIHEI-WBMJQRKESA-N 1 2 365.393 2.527 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1cc(-c2ccco2)on1 ZINC001088533129 980462489 /nfs/dbraw/zinc/46/24/89/980462489.db2.gz AMRGIXOVPIIHEI-WBMJQRKESA-N 1 2 365.393 2.527 20 30 FFEDLO C=C[C@@H](C(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC001168202102 981060297 /nfs/dbraw/zinc/06/02/97/981060297.db2.gz CEGXFZAXVPXSJE-FCHUYYIVSA-N 1 2 363.505 2.889 20 30 FFEDLO C=C[C@@H](C(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001168202102 981060301 /nfs/dbraw/zinc/06/03/01/981060301.db2.gz CEGXFZAXVPXSJE-FCHUYYIVSA-N 1 2 363.505 2.889 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)cc(OC)c1O ZINC000877747298 1014707272 /nfs/dbraw/zinc/70/72/72/1014707272.db2.gz ZCSIZPQXIOKABN-UHFFFAOYSA-N 1 2 371.412 2.742 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000907069030 981194505 /nfs/dbraw/zinc/19/45/05/981194505.db2.gz KLYCEIJOCMIDRG-ALLBUHFWSA-N 1 2 354.454 2.885 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[C@H](C)C(C)C ZINC001212004725 981450296 /nfs/dbraw/zinc/45/02/96/981450296.db2.gz MCXNACJJSWZTCD-GDIGMMSISA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[C@H](C)C(C)C ZINC001212004725 981450300 /nfs/dbraw/zinc/45/03/00/981450300.db2.gz MCXNACJJSWZTCD-GDIGMMSISA-N 1 2 361.461 2.695 20 30 FFEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c(-c2ccncc2)n1 ZINC000897592476 982361992 /nfs/dbraw/zinc/36/19/92/982361992.db2.gz VLPFQJYXFPXBOT-FQEVSTJZSA-N 1 2 359.433 2.927 20 30 FFEDLO Cn1cc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c(-c2ccncc2)n1 ZINC000897592476 982362005 /nfs/dbraw/zinc/36/20/05/982362005.db2.gz VLPFQJYXFPXBOT-FQEVSTJZSA-N 1 2 359.433 2.927 20 30 FFEDLO C#CCOc1ccc(CNc2ccc(N3CCC(CO)CC3)c[nH+]2)cc1 ZINC000150927980 984103903 /nfs/dbraw/zinc/10/39/03/984103903.db2.gz VEWQQVPTPPIRRN-UHFFFAOYSA-N 1 2 351.450 2.914 20 30 FFEDLO CC(C)OCc1ccc(CNC(=O)CO[NH+]=C(N)Cc2ccccc2)cc1 ZINC000151211775 984215583 /nfs/dbraw/zinc/21/55/83/984215583.db2.gz XMMFYJDGBHIHIS-UHFFFAOYSA-N 1 2 369.465 2.759 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc3ccccc3o2)C[C@H]1OC ZINC001212146074 984332662 /nfs/dbraw/zinc/33/26/62/984332662.db2.gz IVMJLHMNIXIPBA-KVSKMBFKSA-N 1 2 369.465 2.898 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc3ccccc3o2)C[C@H]1OC ZINC001212146074 984332664 /nfs/dbraw/zinc/33/26/64/984332664.db2.gz IVMJLHMNIXIPBA-KVSKMBFKSA-N 1 2 369.465 2.898 20 30 FFEDLO CC(C)(C)c1nnc(C[N@@H+]2CC[C@@]3(CNC(=O)C#CC4CC4)CCC[C@@H]23)o1 ZINC001107399734 984507048 /nfs/dbraw/zinc/50/70/48/984507048.db2.gz HAXLZZGDQMHCGK-IIBYNOLFSA-N 1 2 370.497 2.641 20 30 FFEDLO CC(C)(C)c1nnc(C[N@H+]2CC[C@@]3(CNC(=O)C#CC4CC4)CCC[C@@H]23)o1 ZINC001107399734 984507054 /nfs/dbraw/zinc/50/70/54/984507054.db2.gz HAXLZZGDQMHCGK-IIBYNOLFSA-N 1 2 370.497 2.641 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2ccc(OC)cc2CC1 ZINC000760925042 984580750 /nfs/dbraw/zinc/58/07/50/984580750.db2.gz IPXVVJYWLSAWJF-FQEVSTJZSA-N 1 2 350.418 2.882 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2ccc(OC)cc2CC1 ZINC000760925042 984580754 /nfs/dbraw/zinc/58/07/54/984580754.db2.gz IPXVVJYWLSAWJF-FQEVSTJZSA-N 1 2 350.418 2.882 20 30 FFEDLO C#CCCCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1csnn1)CC2 ZINC001107500673 984607476 /nfs/dbraw/zinc/60/74/76/984607476.db2.gz NETHMOOGYDQHJJ-IEBWSBKVSA-N 1 2 360.527 2.983 20 30 FFEDLO C#CCCCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1csnn1)CC2 ZINC001107500673 984607477 /nfs/dbraw/zinc/60/74/77/984607477.db2.gz NETHMOOGYDQHJJ-IEBWSBKVSA-N 1 2 360.527 2.983 20 30 FFEDLO COc1ccc(-c2nc(CO[NH+]=C(N)c3ccc4c(c3)CCO4)no2)cc1 ZINC000158199228 984793523 /nfs/dbraw/zinc/79/35/23/984793523.db2.gz NLMSIHSFUOOVQG-UHFFFAOYSA-N 1 2 366.377 2.517 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H]2CC[C@H](c3ccccc3)O2)n1 ZINC000878525964 1015086032 /nfs/dbraw/zinc/08/60/32/1015086032.db2.gz HKMUUKVMDUXGJE-LEWJYISDSA-N 1 2 353.466 2.885 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H]2CC[C@H](c3ccccc3)O2)n1 ZINC000878525964 1015086039 /nfs/dbraw/zinc/08/60/39/1015086039.db2.gz HKMUUKVMDUXGJE-LEWJYISDSA-N 1 2 353.466 2.885 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@H]1OC ZINC001212184987 984987835 /nfs/dbraw/zinc/98/78/35/984987835.db2.gz KYQFRKISYFHGMX-FSPWUOQZSA-N 1 2 350.409 2.645 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@H]1OC ZINC001212184987 984987841 /nfs/dbraw/zinc/98/78/41/984987841.db2.gz KYQFRKISYFHGMX-FSPWUOQZSA-N 1 2 350.409 2.645 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001077747482 985174021 /nfs/dbraw/zinc/17/40/21/985174021.db2.gz GHRWPPKHGWIBLA-WOJBJXKFSA-N 1 2 355.482 2.580 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001077747482 985174026 /nfs/dbraw/zinc/17/40/26/985174026.db2.gz GHRWPPKHGWIBLA-WOJBJXKFSA-N 1 2 355.482 2.580 20 30 FFEDLO CC(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032410405 985250425 /nfs/dbraw/zinc/25/04/25/985250425.db2.gz AEXSSDRCFBSMBS-TUFLPTIASA-N 1 2 367.493 2.795 20 30 FFEDLO CC(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032410405 985250431 /nfs/dbraw/zinc/25/04/31/985250431.db2.gz AEXSSDRCFBSMBS-TUFLPTIASA-N 1 2 367.493 2.795 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@@H]2C)o1 ZINC001088959765 985625191 /nfs/dbraw/zinc/62/51/91/985625191.db2.gz WHBRBKSKFPHSNL-AEFFLSMTSA-N 1 2 351.450 2.790 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@@H]2C)o1 ZINC001088959765 985625198 /nfs/dbraw/zinc/62/51/98/985625198.db2.gz WHBRBKSKFPHSNL-AEFFLSMTSA-N 1 2 351.450 2.790 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[NH+]1CCN(c2ccnc(F)c2)CC1)c1ccccc1 ZINC000878678464 1015164280 /nfs/dbraw/zinc/16/42/80/1015164280.db2.gz IDJSUJCUYVNECV-NRFANRHFSA-N 1 2 366.440 2.783 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)[C@@H]1C ZINC001089006502 985890240 /nfs/dbraw/zinc/89/02/40/985890240.db2.gz INLGDNZXLSVMJX-BEFAXECRSA-N 1 2 363.461 2.855 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)[C@@H]1C ZINC001089006502 985890252 /nfs/dbraw/zinc/89/02/52/985890252.db2.gz INLGDNZXLSVMJX-BEFAXECRSA-N 1 2 363.461 2.855 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2ncc(CC)o2)[C@@H]1C ZINC001089006487 985890915 /nfs/dbraw/zinc/89/09/15/985890915.db2.gz HUODHZXVOPJVFF-BEFAXECRSA-N 1 2 351.450 2.540 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2ncc(CC)o2)[C@@H]1C ZINC001089006487 985890919 /nfs/dbraw/zinc/89/09/19/985890919.db2.gz HUODHZXVOPJVFF-BEFAXECRSA-N 1 2 351.450 2.540 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3sccc3Cl)C[C@H]2OC)CCC1 ZINC001212393598 986019402 /nfs/dbraw/zinc/01/94/02/986019402.db2.gz RQJGMRDQQIPLBI-HUUCEWRRSA-N 1 2 366.914 2.911 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3sccc3Cl)C[C@H]2OC)CCC1 ZINC001212393598 986019422 /nfs/dbraw/zinc/01/94/22/986019422.db2.gz RQJGMRDQQIPLBI-HUUCEWRRSA-N 1 2 366.914 2.911 20 30 FFEDLO Cc1ccc(CN(C(=O)CO[NH+]=C(N)c2ccc(F)c(C)c2)C2CC2)o1 ZINC000174124952 986095209 /nfs/dbraw/zinc/09/52/09/986095209.db2.gz HYIOUMGHMKXTKO-UHFFFAOYSA-N 1 2 359.401 2.864 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001007359200 1015193846 /nfs/dbraw/zinc/19/38/46/1015193846.db2.gz CGWQDBAZTOAILC-NSHGMRRFSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001007359200 1015193848 /nfs/dbraw/zinc/19/38/48/1015193848.db2.gz CGWQDBAZTOAILC-NSHGMRRFSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001007359610 1015193936 /nfs/dbraw/zinc/19/39/36/1015193936.db2.gz GCZDTIVSNKFCRE-GGPKGHCWSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001007359610 1015193939 /nfs/dbraw/zinc/19/39/39/1015193939.db2.gz GCZDTIVSNKFCRE-GGPKGHCWSA-N 1 2 371.456 2.759 20 30 FFEDLO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@H+](Cc3ncc(C)o3)[C@@H]2C)cc1 ZINC001089065190 986152836 /nfs/dbraw/zinc/15/28/36/986152836.db2.gz SKZCYQFRUMBXTH-APWZRJJASA-N 1 2 369.465 2.870 20 30 FFEDLO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)o3)[C@@H]2C)cc1 ZINC001089065190 986152843 /nfs/dbraw/zinc/15/28/43/986152843.db2.gz SKZCYQFRUMBXTH-APWZRJJASA-N 1 2 369.465 2.870 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(NC(C)=O)ccc2F)[C@H]1C ZINC001089070536 986193949 /nfs/dbraw/zinc/19/39/49/986193949.db2.gz KHXLBFKXAWJJAI-BZNIZROVSA-N 1 2 353.825 2.729 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(NC(C)=O)ccc2F)[C@H]1C ZINC001089070536 986193954 /nfs/dbraw/zinc/19/39/54/986193954.db2.gz KHXLBFKXAWJJAI-BZNIZROVSA-N 1 2 353.825 2.729 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC000965155038 1015264701 /nfs/dbraw/zinc/26/47/01/1015264701.db2.gz WBNWQPCVQJUPEO-RCCFBDPRSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC000965155038 1015264715 /nfs/dbraw/zinc/26/47/15/1015264715.db2.gz WBNWQPCVQJUPEO-RCCFBDPRSA-N 1 2 370.497 2.757 20 30 FFEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)c1cccc2ccccc21 ZINC001078116641 987013305 /nfs/dbraw/zinc/01/33/05/987013305.db2.gz KHHZPPGMKNYQNJ-DHIUTWEWSA-N 1 2 370.452 2.666 20 30 FFEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)c1cccc2ccccc21 ZINC001078116641 987013312 /nfs/dbraw/zinc/01/33/12/987013312.db2.gz KHHZPPGMKNYQNJ-DHIUTWEWSA-N 1 2 370.452 2.666 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001060992865 987170459 /nfs/dbraw/zinc/17/04/59/987170459.db2.gz DGUCXGQPYXFAHW-ZACQAIPSSA-N 1 2 358.486 2.760 20 30 FFEDLO Cc1c(C#N)cccc1NC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000878976320 1015310998 /nfs/dbraw/zinc/31/09/98/1015310998.db2.gz BFIZUIVQVYLSLC-UHFFFAOYSA-N 1 2 372.469 2.794 20 30 FFEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000915032061 988146695 /nfs/dbraw/zinc/14/66/95/988146695.db2.gz DEMJCXICVHQGML-QGZVFWFLSA-N 1 2 372.494 2.618 20 30 FFEDLO O=C(NC1CC[NH+](CC#Cc2ccccc2Cl)CC1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001003666472 988212440 /nfs/dbraw/zinc/21/24/40/988212440.db2.gz XDUSXBFKSMNTMW-GGPKGHCWSA-N 1 2 372.896 2.840 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)c1 ZINC001007913396 1015419646 /nfs/dbraw/zinc/41/96/46/1015419646.db2.gz QGCHEMWQBWYUMJ-QFUCXCTJSA-N 1 2 371.456 2.737 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)c1 ZINC001007913396 1015419651 /nfs/dbraw/zinc/41/96/51/1015419651.db2.gz QGCHEMWQBWYUMJ-QFUCXCTJSA-N 1 2 371.456 2.737 20 30 FFEDLO C=CCCC(=O)N1CCC(N(CC2CC2)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001299277023 988917285 /nfs/dbraw/zinc/91/72/85/988917285.db2.gz FWEYHXGAPSQPEF-QZTJIDSGSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCCC(=O)N1CCC(N(CC2CC2)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001299277023 988917297 /nfs/dbraw/zinc/91/72/97/988917297.db2.gz FWEYHXGAPSQPEF-QZTJIDSGSA-N 1 2 370.497 2.709 20 30 FFEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(Oc2ccc(F)cc2F)CC1)C1CC1 ZINC000193876575 989092310 /nfs/dbraw/zinc/09/23/10/989092310.db2.gz KNSONKLLFXZRMA-LJQANCHMSA-N 1 2 363.408 2.616 20 30 FFEDLO CO[C@@H]1C[C@H]2C[N@H+](Cc3cccc(C#N)c3F)Cc3cccnc3N2C1 ZINC000879268804 1015449282 /nfs/dbraw/zinc/44/92/82/1015449282.db2.gz GMSNYGRKCFDJJX-ZWKOTPCHSA-N 1 2 352.413 2.702 20 30 FFEDLO CO[C@@H]1C[C@H]2C[N@@H+](Cc3cccc(C#N)c3F)Cc3cccnc3N2C1 ZINC000879268804 1015449289 /nfs/dbraw/zinc/44/92/89/1015449289.db2.gz GMSNYGRKCFDJJX-ZWKOTPCHSA-N 1 2 352.413 2.702 20 30 FFEDLO CO[C@@H]1C[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)Cc3cccnc3N2C1 ZINC000879272343 1015452801 /nfs/dbraw/zinc/45/28/01/1015452801.db2.gz MXBQWLWBXAKULO-QZTJIDSGSA-N 1 2 352.413 2.702 20 30 FFEDLO CO[C@@H]1C[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)Cc3cccnc3N2C1 ZINC000879272343 1015452804 /nfs/dbraw/zinc/45/28/04/1015452804.db2.gz MXBQWLWBXAKULO-QZTJIDSGSA-N 1 2 352.413 2.702 20 30 FFEDLO C#CCCCCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001078922843 989457212 /nfs/dbraw/zinc/45/72/12/989457212.db2.gz BBWIVEWPOSPOCN-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO C#CCCCCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001078922843 989457220 /nfs/dbraw/zinc/45/72/20/989457220.db2.gz BBWIVEWPOSPOCN-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO Cc1nc(NC2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)ccc1C#N ZINC001060632699 989563213 /nfs/dbraw/zinc/56/32/13/989563213.db2.gz HHHRBDFKRVWSBE-BHUNQDJPSA-N 1 2 364.453 2.628 20 30 FFEDLO Cc1nc(NC2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)ccc1C#N ZINC001060632699 989563223 /nfs/dbraw/zinc/56/32/23/989563223.db2.gz HHHRBDFKRVWSBE-BHUNQDJPSA-N 1 2 364.453 2.628 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033496051 989624374 /nfs/dbraw/zinc/62/43/74/989624374.db2.gz FJVVQIKDSFTYTN-FHWLQOOXSA-N 1 2 361.461 2.625 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033496051 989624377 /nfs/dbraw/zinc/62/43/77/989624377.db2.gz FJVVQIKDSFTYTN-FHWLQOOXSA-N 1 2 361.461 2.625 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033496842 989624426 /nfs/dbraw/zinc/62/44/26/989624426.db2.gz HSQHNRGVPPXEPJ-UFYCRDLUSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033496842 989624432 /nfs/dbraw/zinc/62/44/32/989624432.db2.gz HSQHNRGVPPXEPJ-UFYCRDLUSA-N 1 2 371.456 2.711 20 30 FFEDLO COC[C@@]1(C(=O)OC(C)(C)C)C[N@@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000879359980 1015497327 /nfs/dbraw/zinc/49/73/27/1015497327.db2.gz OCULSBBOYQZSAJ-FOIQADDNSA-N 1 2 360.454 2.678 20 30 FFEDLO COC[C@@]1(C(=O)OC(C)(C)C)C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000879359980 1015497330 /nfs/dbraw/zinc/49/73/30/1015497330.db2.gz OCULSBBOYQZSAJ-FOIQADDNSA-N 1 2 360.454 2.678 20 30 FFEDLO C=CCNC(=S)N[NH+]=Cc1c(C)nn(-c2ccccc2)c1N1CCCC1 ZINC000915924190 989710188 /nfs/dbraw/zinc/71/01/88/989710188.db2.gz QVPBVERYAHQKLI-UHFFFAOYSA-N 1 2 368.510 2.765 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC001034408704 990053306 /nfs/dbraw/zinc/05/33/06/990053306.db2.gz MTWDFOVHECAIFF-ZACQAIPSSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ncc(C(C)C)o2)C1 ZINC001034408704 990053316 /nfs/dbraw/zinc/05/33/16/990053316.db2.gz MTWDFOVHECAIFF-ZACQAIPSSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001061760719 990122849 /nfs/dbraw/zinc/12/28/49/990122849.db2.gz URVMBPNVUDTLSX-IEZWGBDMSA-N 1 2 370.497 2.586 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCCn2c3ccccc3[nH]c2=O)c1 ZINC000917156146 990163872 /nfs/dbraw/zinc/16/38/72/990163872.db2.gz WZHFYXMZUKWZMH-UHFFFAOYSA-N 1 2 362.433 2.684 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCCn2c3ccccc3[nH]c2=O)c1 ZINC000917156146 990163879 /nfs/dbraw/zinc/16/38/79/990163879.db2.gz WZHFYXMZUKWZMH-UHFFFAOYSA-N 1 2 362.433 2.684 20 30 FFEDLO C[C@@H](Nc1ncccc1C#N)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001061890377 990515116 /nfs/dbraw/zinc/51/51/16/990515116.db2.gz YVHUQKBRFPPGTL-KBRIMQKVSA-N 1 2 364.453 2.519 20 30 FFEDLO C[C@@H](Nc1ncccc1C#N)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001061890377 990515120 /nfs/dbraw/zinc/51/51/20/990515120.db2.gz YVHUQKBRFPPGTL-KBRIMQKVSA-N 1 2 364.453 2.519 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CCC3(C[NH+](Cc4cc(C#N)ccc4F)C3)CC2)O1 ZINC001035800886 990560090 /nfs/dbraw/zinc/56/00/90/990560090.db2.gz KAZFGUODGMNBOZ-DNVCBOLYSA-N 1 2 371.456 2.689 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cccc(C(F)F)c2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212255400 991071605 /nfs/dbraw/zinc/07/16/05/991071605.db2.gz KOGPZHFHZXQUQB-IAGOWNOFSA-N 1 2 364.436 2.989 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212255400 991071610 /nfs/dbraw/zinc/07/16/10/991071610.db2.gz KOGPZHFHZXQUQB-IAGOWNOFSA-N 1 2 364.436 2.989 20 30 FFEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135121195 991146654 /nfs/dbraw/zinc/14/66/54/991146654.db2.gz UKEITRHWMZUHBO-UHFFFAOYSA-N 1 2 370.541 2.864 20 30 FFEDLO CCN(CC)C(=O)C[N@H+]1CCCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135121195 991146657 /nfs/dbraw/zinc/14/66/57/991146657.db2.gz UKEITRHWMZUHBO-UHFFFAOYSA-N 1 2 370.541 2.864 20 30 FFEDLO C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2Nc2cc[nH+]c(C)n2)CC1 ZINC001090284132 991188027 /nfs/dbraw/zinc/18/80/27/991188027.db2.gz SJBABQXINGVWCD-XLIONFOSSA-N 1 2 358.486 2.949 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001063037711 991316454 /nfs/dbraw/zinc/31/64/54/991316454.db2.gz OPGQPVHSRPCZOP-BBWFWOEESA-N 1 2 358.486 2.537 20 30 FFEDLO N#Cc1c(F)cccc1N1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001063244693 991411460 /nfs/dbraw/zinc/41/14/60/991411460.db2.gz NJBGIKCZVLAGFG-RRFJBIMHSA-N 1 2 367.428 2.699 20 30 FFEDLO N#Cc1c(F)cccc1N1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001063244693 991411467 /nfs/dbraw/zinc/41/14/67/991411467.db2.gz NJBGIKCZVLAGFG-RRFJBIMHSA-N 1 2 367.428 2.699 20 30 FFEDLO N#Cc1c(F)cccc1N1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001063244692 991411503 /nfs/dbraw/zinc/41/15/03/991411503.db2.gz NJBGIKCZVLAGFG-RBSFLKMASA-N 1 2 367.428 2.699 20 30 FFEDLO N#Cc1c(F)cccc1N1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001063244692 991411510 /nfs/dbraw/zinc/41/15/10/991411510.db2.gz NJBGIKCZVLAGFG-RBSFLKMASA-N 1 2 367.428 2.699 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)CCC(=O)CCC(=O)c2ccc(C)s2)CC1 ZINC000068444721 991433107 /nfs/dbraw/zinc/43/31/07/991433107.db2.gz PPUBVKUANWBPEK-UHFFFAOYSA-N 1 2 374.506 2.536 20 30 FFEDLO N#Cc1ccc(NCC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cn1 ZINC001063853814 991556782 /nfs/dbraw/zinc/55/67/82/991556782.db2.gz WCZMZVNFBSQSRY-KZNAEPCWSA-N 1 2 364.453 2.663 20 30 FFEDLO N#Cc1ccc(NCC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cn1 ZINC001063853814 991556790 /nfs/dbraw/zinc/55/67/90/991556790.db2.gz WCZMZVNFBSQSRY-KZNAEPCWSA-N 1 2 364.453 2.663 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]2C)CC1 ZINC000939922026 991881534 /nfs/dbraw/zinc/88/15/34/991881534.db2.gz QMEFWOCZBXUNRE-SOLBZPMBSA-N 1 2 358.486 2.544 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C[C@@H]1CCCO1 ZINC001079449509 992099139 /nfs/dbraw/zinc/09/91/39/992099139.db2.gz RTRMRQLKPCREMK-HHXXYDBFSA-N 1 2 360.885 2.697 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C[C@@H]1CCCO1 ZINC001079449509 992099144 /nfs/dbraw/zinc/09/91/44/992099144.db2.gz RTRMRQLKPCREMK-HHXXYDBFSA-N 1 2 360.885 2.697 20 30 FFEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)Nc2cccc(CC#N)c2)CC1 ZINC000879844919 1015688867 /nfs/dbraw/zinc/68/88/67/1015688867.db2.gz HPQLQGBPRGOGQZ-UHFFFAOYSA-N 1 2 372.469 2.680 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079593979 992246117 /nfs/dbraw/zinc/24/61/17/992246117.db2.gz RBIOLNOKGGPGDW-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079593979 992246124 /nfs/dbraw/zinc/24/61/24/992246124.db2.gz RBIOLNOKGGPGDW-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C=CC(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000967574109 1015696580 /nfs/dbraw/zinc/69/65/80/1015696580.db2.gz CDLLEKBXDAJDSP-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CC(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000967574109 1015696584 /nfs/dbraw/zinc/69/65/84/1015696584.db2.gz CDLLEKBXDAJDSP-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)c1ccns1 ZINC001079791126 992422267 /nfs/dbraw/zinc/42/22/67/992422267.db2.gz TUUKNSYDBCHIRG-CZUORRHYSA-N 1 2 359.882 2.898 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)c1ccns1 ZINC001079791126 992422274 /nfs/dbraw/zinc/42/22/74/992422274.db2.gz TUUKNSYDBCHIRG-CZUORRHYSA-N 1 2 359.882 2.898 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)nc(C)c2)C1 ZINC001079770068 992424952 /nfs/dbraw/zinc/42/49/52/992424952.db2.gz NKWWQOVIJILUOF-MEBBXXQBSA-N 1 2 352.276 2.657 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)nc(C)c2)C1 ZINC001079770068 992424959 /nfs/dbraw/zinc/42/49/59/992424959.db2.gz NKWWQOVIJILUOF-MEBBXXQBSA-N 1 2 352.276 2.657 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC001008857825 1015731722 /nfs/dbraw/zinc/73/17/22/1015731722.db2.gz YFMKKVZKLUSNBG-FTRWYGJKSA-N 1 2 369.465 2.890 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC001008857825 1015731728 /nfs/dbraw/zinc/73/17/28/1015731728.db2.gz YFMKKVZKLUSNBG-FTRWYGJKSA-N 1 2 369.465 2.890 20 30 FFEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000942955845 992852068 /nfs/dbraw/zinc/85/20/68/992852068.db2.gz XCSAXNZSMABXKP-KZNAEPCWSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000942955845 992852081 /nfs/dbraw/zinc/85/20/81/992852081.db2.gz XCSAXNZSMABXKP-KZNAEPCWSA-N 1 2 370.497 2.709 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3nc4c(o3)CCCC4)C[C@H]2C)cc1 ZINC001080244743 992868643 /nfs/dbraw/zinc/86/86/43/992868643.db2.gz JSKVQOXMLIRNEY-DNVCBOLYSA-N 1 2 363.461 2.785 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3nc4c(o3)CCCC4)C[C@H]2C)cc1 ZINC001080244743 992868650 /nfs/dbraw/zinc/86/86/50/992868650.db2.gz JSKVQOXMLIRNEY-DNVCBOLYSA-N 1 2 363.461 2.785 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(=O)Nc3ccc(C)cc3)C[C@H]2C)C1 ZINC001080404536 993032769 /nfs/dbraw/zinc/03/27/69/993032769.db2.gz MMTJLJCOGLXVHW-SJLPKXTDSA-N 1 2 355.482 2.726 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(=O)Nc3ccc(C)cc3)C[C@H]2C)C1 ZINC001080404536 993032774 /nfs/dbraw/zinc/03/27/74/993032774.db2.gz MMTJLJCOGLXVHW-SJLPKXTDSA-N 1 2 355.482 2.726 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3nnc(-c4ccco4)o3)C[C@H]2C)C1 ZINC001080404607 993034088 /nfs/dbraw/zinc/03/40/88/993034088.db2.gz QHMYSPFPANHBCN-ZIAGYGMSSA-N 1 2 356.426 2.622 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3nnc(-c4ccco4)o3)C[C@H]2C)C1 ZINC001080404607 993034091 /nfs/dbraw/zinc/03/40/91/993034091.db2.gz QHMYSPFPANHBCN-ZIAGYGMSSA-N 1 2 356.426 2.622 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001080481207 993090734 /nfs/dbraw/zinc/09/07/34/993090734.db2.gz ZDWSPROBMZSAJY-JECYIRHJSA-N 1 2 372.896 2.696 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001080481207 993090741 /nfs/dbraw/zinc/09/07/41/993090741.db2.gz ZDWSPROBMZSAJY-JECYIRHJSA-N 1 2 372.896 2.696 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)c(C)[nH]1 ZINC001080521761 993121872 /nfs/dbraw/zinc/12/18/72/993121872.db2.gz LUMKANKBWYZTNZ-CWTRNNRKSA-N 1 2 354.429 2.893 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)c(C)[nH]1 ZINC001080521761 993121875 /nfs/dbraw/zinc/12/18/75/993121875.db2.gz LUMKANKBWYZTNZ-CWTRNNRKSA-N 1 2 354.429 2.893 20 30 FFEDLO Cc1nc(C2CC2)oc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080583731 993190116 /nfs/dbraw/zinc/19/01/16/993190116.db2.gz STRCFTJFMSAESY-FZKQIMNGSA-N 1 2 364.449 2.982 20 30 FFEDLO Cc1nc(C2CC2)oc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080583731 993190118 /nfs/dbraw/zinc/19/01/18/993190118.db2.gz STRCFTJFMSAESY-FZKQIMNGSA-N 1 2 364.449 2.982 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cccc2nc[nH]c21 ZINC001080654757 993249669 /nfs/dbraw/zinc/24/96/69/993249669.db2.gz HWHFALDGMGEHGH-AUUYWEPGSA-N 1 2 359.433 2.685 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cccc2nc[nH]c21 ZINC001080654757 993249676 /nfs/dbraw/zinc/24/96/76/993249676.db2.gz HWHFALDGMGEHGH-AUUYWEPGSA-N 1 2 359.433 2.685 20 30 FFEDLO CC(C)c1ocnc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080733151 993315901 /nfs/dbraw/zinc/31/59/01/993315901.db2.gz DQLDNFKCFZTFOB-RHSMWYFYSA-N 1 2 352.438 2.920 20 30 FFEDLO CC(C)c1ocnc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080733151 993315907 /nfs/dbraw/zinc/31/59/07/993315907.db2.gz DQLDNFKCFZTFOB-RHSMWYFYSA-N 1 2 352.438 2.920 20 30 FFEDLO CCCc1nc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)co1 ZINC001080775452 993354409 /nfs/dbraw/zinc/35/44/09/993354409.db2.gz IXVOPYPPKMPUKB-CXAGYDPISA-N 1 2 370.428 2.888 20 30 FFEDLO CCCc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)co1 ZINC001080775452 993354415 /nfs/dbraw/zinc/35/44/15/993354415.db2.gz IXVOPYPPKMPUKB-CXAGYDPISA-N 1 2 370.428 2.888 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CC=C(Cl)Cl)C[C@H]1C ZINC001080851340 993412912 /nfs/dbraw/zinc/41/29/12/993412912.db2.gz DKRKHGOHKOAGQR-CZUORRHYSA-N 1 2 351.277 2.966 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](CC=C(Cl)Cl)C[C@H]1C ZINC001080851340 993412917 /nfs/dbraw/zinc/41/29/17/993412917.db2.gz DKRKHGOHKOAGQR-CZUORRHYSA-N 1 2 351.277 2.966 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C1CCCCC1 ZINC001081288034 993785198 /nfs/dbraw/zinc/78/51/98/993785198.db2.gz WXYSYDNTGBJMKH-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C1CCCCC1 ZINC001081288034 993785205 /nfs/dbraw/zinc/78/52/05/993785205.db2.gz WXYSYDNTGBJMKH-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)c1ccccc1 ZINC001081296606 993791454 /nfs/dbraw/zinc/79/14/54/993791454.db2.gz YSYOWDZWFBVMGU-WOJBJXKFSA-N 1 2 368.864 2.821 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)c1ccccc1 ZINC001081296606 993791465 /nfs/dbraw/zinc/79/14/65/993791465.db2.gz YSYOWDZWFBVMGU-WOJBJXKFSA-N 1 2 368.864 2.821 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C(C)=C1CCCC1 ZINC001081515936 993866361 /nfs/dbraw/zinc/86/63/61/993866361.db2.gz LTAADRBMZPDRPE-NHCUHLMSSA-N 1 2 352.478 2.744 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C(C)=C1CCCC1 ZINC001081515936 993866364 /nfs/dbraw/zinc/86/63/64/993866364.db2.gz LTAADRBMZPDRPE-NHCUHLMSSA-N 1 2 352.478 2.744 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[C@@H]1C=CCCC1 ZINC001081847156 994018792 /nfs/dbraw/zinc/01/87/92/994018792.db2.gz VXZNVKIYZJNFJX-ZTFGCOKTSA-N 1 2 359.495 2.682 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[C@@H]1C=CCCC1 ZINC001081847156 994018801 /nfs/dbraw/zinc/01/88/01/994018801.db2.gz VXZNVKIYZJNFJX-ZTFGCOKTSA-N 1 2 359.495 2.682 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1CCCC12CC2 ZINC001081850960 994021032 /nfs/dbraw/zinc/02/10/32/994021032.db2.gz ZZZGTOWSXRFCST-BHIYHBOVSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1CCCC12CC2 ZINC001081850960 994021039 /nfs/dbraw/zinc/02/10/39/994021039.db2.gz ZZZGTOWSXRFCST-BHIYHBOVSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001082114804 994197607 /nfs/dbraw/zinc/19/76/07/994197607.db2.gz SBGNURIQNYSXNB-SFFNPBHPSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001082114804 994197615 /nfs/dbraw/zinc/19/76/15/994197615.db2.gz SBGNURIQNYSXNB-SFFNPBHPSA-N 1 2 371.456 2.593 20 30 FFEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000809542710 994536175 /nfs/dbraw/zinc/53/61/75/994536175.db2.gz FECAOCXTUIKHKZ-UHFFFAOYSA-N 1 2 364.445 2.643 20 30 FFEDLO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[NH+](CCF)CC2)cc1F ZINC001165105224 995183445 /nfs/dbraw/zinc/18/34/45/995183445.db2.gz SLOIFSZPLOWGJW-UHFFFAOYSA-N 1 2 363.799 2.899 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001098008298 1015926081 /nfs/dbraw/zinc/92/60/81/1015926081.db2.gz PVIURKOMASSMMW-RMMWZPCPSA-N 1 2 373.472 2.814 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001098008298 1015926090 /nfs/dbraw/zinc/92/60/90/1015926090.db2.gz PVIURKOMASSMMW-RMMWZPCPSA-N 1 2 373.472 2.814 20 30 FFEDLO C#CC[N@@H+](CN1C(=O)C(C)(C)[C@@H]1[C@H]1CCCO1)[C@H]1CCc2ccccc21 ZINC000811733124 995231319 /nfs/dbraw/zinc/23/13/19/995231319.db2.gz HYHQXCIFAZPLDX-ZCNNSNEGSA-N 1 2 352.478 2.983 20 30 FFEDLO C#CC[N@H+](CN1C(=O)C(C)(C)[C@@H]1[C@H]1CCCO1)[C@H]1CCc2ccccc21 ZINC000811733124 995231328 /nfs/dbraw/zinc/23/13/28/995231328.db2.gz HYHQXCIFAZPLDX-ZCNNSNEGSA-N 1 2 352.478 2.983 20 30 FFEDLO C#C[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000812748196 995524976 /nfs/dbraw/zinc/52/49/76/995524976.db2.gz PCMIEDIOSMGRGE-HXUWFJFHSA-N 1 2 352.409 2.762 20 30 FFEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000727491766 995836226 /nfs/dbraw/zinc/83/62/26/995836226.db2.gz NJPJSJWCBUCJEA-QGZVFWFLSA-N 1 2 369.469 2.636 20 30 FFEDLO NC(=[NH+]OCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000727486952 995846078 /nfs/dbraw/zinc/84/60/78/995846078.db2.gz XEQFKXGSXXUUCO-UHFFFAOYSA-N 1 2 369.440 2.944 20 30 FFEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)c1cccc2ccccc21 ZINC001084018510 996225204 /nfs/dbraw/zinc/22/52/04/996225204.db2.gz KHHZPPGMKNYQNJ-PKTZIBPZSA-N 1 2 370.452 2.666 20 30 FFEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)c1cccc2ccccc21 ZINC001084018510 996225206 /nfs/dbraw/zinc/22/52/06/996225206.db2.gz KHHZPPGMKNYQNJ-PKTZIBPZSA-N 1 2 370.452 2.666 20 30 FFEDLO CC(C)c1ccsc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001084086020 996244973 /nfs/dbraw/zinc/24/49/73/996244973.db2.gz MYCNAYYUNGXNFU-MSOLQXFVSA-N 1 2 369.490 2.718 20 30 FFEDLO CC(C)c1ccsc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001084086020 996244979 /nfs/dbraw/zinc/24/49/79/996244979.db2.gz MYCNAYYUNGXNFU-MSOLQXFVSA-N 1 2 369.490 2.718 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccoc3C)[C@@H]2C1 ZINC001084176297 996306792 /nfs/dbraw/zinc/30/67/92/996306792.db2.gz RGHBMKOIQWKKFG-VQIMIIECSA-N 1 2 365.433 2.815 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccoc3C)[C@@H]2C1 ZINC001084176297 996306798 /nfs/dbraw/zinc/30/67/98/996306798.db2.gz RGHBMKOIQWKKFG-VQIMIIECSA-N 1 2 365.433 2.815 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccccc4O)[C@@H]3C2)s1 ZINC001084196251 996329139 /nfs/dbraw/zinc/32/91/39/996329139.db2.gz CFEWPLVPHAXMQH-CXAGYDPISA-N 1 2 353.447 2.672 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccccc4O)[C@@H]3C2)s1 ZINC001084196251 996329144 /nfs/dbraw/zinc/32/91/44/996329144.db2.gz CFEWPLVPHAXMQH-CXAGYDPISA-N 1 2 353.447 2.672 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)COC3CCCC3)[C@@H]2C1 ZINC001084208675 996342674 /nfs/dbraw/zinc/34/26/74/996342674.db2.gz IMSZXXRHWNCWAL-UYAOXDASSA-N 1 2 353.466 2.550 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)COC3CCCC3)[C@@H]2C1 ZINC001084208675 996342683 /nfs/dbraw/zinc/34/26/83/996342683.db2.gz IMSZXXRHWNCWAL-UYAOXDASSA-N 1 2 353.466 2.550 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(Cl)cc4)C[C@H]32)[nH]n1 ZINC001084214499 996362854 /nfs/dbraw/zinc/36/28/54/996362854.db2.gz STKWZLKBOCMLNL-VQIMIIECSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(Cl)cc4)C[C@H]32)[nH]n1 ZINC001084214499 996362859 /nfs/dbraw/zinc/36/28/59/996362859.db2.gz STKWZLKBOCMLNL-VQIMIIECSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(Cl)cc4)C[C@H]32)n[nH]1 ZINC001084214499 996362862 /nfs/dbraw/zinc/36/28/62/996362862.db2.gz STKWZLKBOCMLNL-VQIMIIECSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(Cl)cc4)C[C@H]32)n[nH]1 ZINC001084214499 996362867 /nfs/dbraw/zinc/36/28/67/996362867.db2.gz STKWZLKBOCMLNL-VQIMIIECSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1ocnc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084221290 996368805 /nfs/dbraw/zinc/36/88/05/996368805.db2.gz OSEOOHDBOFVHGP-SJLPKXTDSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1ocnc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084221290 996368809 /nfs/dbraw/zinc/36/88/09/996368809.db2.gz OSEOOHDBOFVHGP-SJLPKXTDSA-N 1 2 369.852 2.834 20 30 FFEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Br)s3)C[C@H]21 ZINC001084233116 996383966 /nfs/dbraw/zinc/38/39/66/996383966.db2.gz UOZGSQVABJIFGZ-NQBHXWOUSA-N 1 2 368.300 2.703 20 30 FFEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(Br)s3)C[C@H]21 ZINC001084233116 996383967 /nfs/dbraw/zinc/38/39/67/996383967.db2.gz UOZGSQVABJIFGZ-NQBHXWOUSA-N 1 2 368.300 2.703 20 30 FFEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(F)ccc4F)C[C@H]32)[nH]1 ZINC001084288281 996393703 /nfs/dbraw/zinc/39/37/03/996393703.db2.gz OFRIYWNOZZEXGC-KZULUSFZSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(F)ccc4F)C[C@H]32)[nH]1 ZINC001084288281 996393709 /nfs/dbraw/zinc/39/37/09/996393709.db2.gz OFRIYWNOZZEXGC-KZULUSFZSA-N 1 2 356.376 2.511 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)=C(C)C)[C@@H]2C1 ZINC001084274887 996420373 /nfs/dbraw/zinc/42/03/73/996420373.db2.gz AXMOQNYKFAUNDB-NVXWUHKLSA-N 1 2 357.429 2.863 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2CN(C(=O)C(F)=C(C)C)[C@@H]2C1 ZINC001084274887 996420377 /nfs/dbraw/zinc/42/03/77/996420377.db2.gz AXMOQNYKFAUNDB-NVXWUHKLSA-N 1 2 357.429 2.863 20 30 FFEDLO COc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001084334656 996464237 /nfs/dbraw/zinc/46/42/37/996464237.db2.gz DPHPGMXTMYDFCQ-CRAIPNDOSA-N 1 2 358.869 2.795 20 30 FFEDLO COc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001084334656 996464240 /nfs/dbraw/zinc/46/42/40/996464240.db2.gz DPHPGMXTMYDFCQ-CRAIPNDOSA-N 1 2 358.869 2.795 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cncc4[nH]ccc43)[C@@H]2C1 ZINC001084485591 996605495 /nfs/dbraw/zinc/60/54/95/996605495.db2.gz MXWLBSUGNFTGBK-DYESRHJHSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cncc4[nH]ccc43)[C@@H]2C1 ZINC001084485591 996605499 /nfs/dbraw/zinc/60/54/99/996605499.db2.gz MXWLBSUGNFTGBK-DYESRHJHSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@]45C[C@H]4CCC5)[C@@H]3C2)c(F)c1 ZINC001084534061 996654687 /nfs/dbraw/zinc/65/46/87/996654687.db2.gz NOKLFQRDVIVUGK-VGUOSERISA-N 1 2 353.441 2.920 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@]45C[C@H]4CCC5)[C@@H]3C2)c(F)c1 ZINC001084534061 996654689 /nfs/dbraw/zinc/65/46/89/996654689.db2.gz NOKLFQRDVIVUGK-VGUOSERISA-N 1 2 353.441 2.920 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccc(C)cc3C)C[C@H]21 ZINC001084574975 996703229 /nfs/dbraw/zinc/70/32/29/996703229.db2.gz WJFFZWJSRFHFHS-IEBWSBKVSA-N 1 2 369.509 2.987 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccc(C)cc3C)C[C@H]21 ZINC001084574975 996703232 /nfs/dbraw/zinc/70/32/32/996703232.db2.gz WJFFZWJSRFHFHS-IEBWSBKVSA-N 1 2 369.509 2.987 20 30 FFEDLO O=C(c1ocnc1C(F)F)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084666798 996788881 /nfs/dbraw/zinc/78/88/81/996788881.db2.gz VYIBTEAIWLLQCJ-HZPDHXFCSA-N 1 2 371.387 2.810 20 30 FFEDLO O=C(c1ocnc1C(F)F)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084666798 996788885 /nfs/dbraw/zinc/78/88/85/996788885.db2.gz VYIBTEAIWLLQCJ-HZPDHXFCSA-N 1 2 371.387 2.810 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(Cl)c2)C[C@H]1NC(=O)CSCC#N ZINC001206090393 1032139240 /nfs/dbraw/zinc/13/92/40/1032139240.db2.gz SEWLQDKQPOYJHG-IAQYHMDHSA-N 1 2 355.866 2.672 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2)C[C@H]1NC(=O)CSCC#N ZINC001206090393 1032139245 /nfs/dbraw/zinc/13/92/45/1032139245.db2.gz SEWLQDKQPOYJHG-IAQYHMDHSA-N 1 2 355.866 2.672 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cc(Cl)no4)[C@@H]3C2)s1 ZINC001084789317 997370518 /nfs/dbraw/zinc/37/05/18/997370518.db2.gz CEAFOQWZBYHEBS-ZWNOBZJWSA-N 1 2 362.842 2.608 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(Cl)no4)[C@@H]3C2)s1 ZINC001084789317 997370524 /nfs/dbraw/zinc/37/05/24/997370524.db2.gz CEAFOQWZBYHEBS-ZWNOBZJWSA-N 1 2 362.842 2.608 20 30 FFEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)cs3)C[C@H]21 ZINC001084798702 997409253 /nfs/dbraw/zinc/40/92/53/997409253.db2.gz YHQRABCGUBKHGP-RTBURBONSA-N 1 2 365.502 2.708 20 30 FFEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)cs3)C[C@H]21 ZINC001084798702 997409260 /nfs/dbraw/zinc/40/92/60/997409260.db2.gz YHQRABCGUBKHGP-RTBURBONSA-N 1 2 365.502 2.708 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CCOCC3)C[C@@H]21 ZINC001084878713 997794892 /nfs/dbraw/zinc/79/48/92/997794892.db2.gz HWYLCHMLZIWSEG-QRWLVFNGSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)C3CCOCC3)C[C@@H]21 ZINC001084878713 997794901 /nfs/dbraw/zinc/79/49/01/997794901.db2.gz HWYLCHMLZIWSEG-QRWLVFNGSA-N 1 2 371.456 2.547 20 30 FFEDLO N#CCOc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)cc1 ZINC000844355632 997826402 /nfs/dbraw/zinc/82/64/02/997826402.db2.gz CNRJDTAKPHKNJH-OAQYLSRUSA-N 1 2 361.445 2.794 20 30 FFEDLO N#CCOc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)cc1 ZINC000844355632 997826411 /nfs/dbraw/zinc/82/64/11/997826411.db2.gz CNRJDTAKPHKNJH-OAQYLSRUSA-N 1 2 361.445 2.794 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccnc(F)c3)C[C@@H]21 ZINC001084902207 997963822 /nfs/dbraw/zinc/96/38/22/997963822.db2.gz KPDRWGXXGXOUKG-OCCSQVGLSA-N 1 2 368.250 2.666 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccnc(F)c3)C[C@@H]21 ZINC001084902207 997963832 /nfs/dbraw/zinc/96/38/32/997963832.db2.gz KPDRWGXXGXOUKG-OCCSQVGLSA-N 1 2 368.250 2.666 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)[C@H]2C1 ZINC001084907416 998008994 /nfs/dbraw/zinc/00/89/94/998008994.db2.gz OMCDRKIRKVSQOY-QAPCUYQASA-N 1 2 371.456 2.735 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)[C@H]2C1 ZINC001084907416 998008999 /nfs/dbraw/zinc/00/89/99/998008999.db2.gz OMCDRKIRKVSQOY-QAPCUYQASA-N 1 2 371.456 2.735 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC001144356540 998394985 /nfs/dbraw/zinc/39/49/85/998394985.db2.gz AZBPFOQMEVJZGH-AWEZNQCLSA-N 1 2 373.375 2.899 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC001144356540 998395001 /nfs/dbraw/zinc/39/50/01/998395001.db2.gz AZBPFOQMEVJZGH-AWEZNQCLSA-N 1 2 373.375 2.899 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000845519222 998574799 /nfs/dbraw/zinc/57/47/99/998574799.db2.gz UBSRLIFQMNEDRS-QGZVFWFLSA-N 1 2 352.438 2.759 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3cn(CC4CC4)nn3)[C@H]2C1 ZINC001085024058 998701015 /nfs/dbraw/zinc/70/10/15/998701015.db2.gz RFSOTPPNXQQPHS-SLYNCCJLSA-N 1 2 371.529 2.713 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(CC4CC4)nn3)[C@H]2C1 ZINC001085024058 998701017 /nfs/dbraw/zinc/70/10/17/998701017.db2.gz RFSOTPPNXQQPHS-SLYNCCJLSA-N 1 2 371.529 2.713 20 30 FFEDLO NC(=NOCc1ccc(F)c(F)c1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000735488501 999431368 /nfs/dbraw/zinc/43/13/68/999431368.db2.gz QXAPZTWDDMXTAH-UHFFFAOYSA-N 1 2 361.392 2.634 20 30 FFEDLO C=CCC1(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CCC1 ZINC001066279147 999577625 /nfs/dbraw/zinc/57/76/25/999577625.db2.gz SWOHSCUUNZCSMY-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC1(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CCC1 ZINC001066279147 999577628 /nfs/dbraw/zinc/57/76/28/999577628.db2.gz SWOHSCUUNZCSMY-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000739911949 999657623 /nfs/dbraw/zinc/65/76/23/999657623.db2.gz DCUZTJXRKUPLEE-IPELMVKDSA-N 1 2 371.481 2.789 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000739911949 999657624 /nfs/dbraw/zinc/65/76/24/999657624.db2.gz DCUZTJXRKUPLEE-IPELMVKDSA-N 1 2 371.481 2.789 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085869348 999666487 /nfs/dbraw/zinc/66/64/87/999666487.db2.gz OEHPVKXXUHILHL-ACRUOGEOSA-N 1 2 352.478 2.552 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085869348 999666489 /nfs/dbraw/zinc/66/64/89/999666489.db2.gz OEHPVKXXUHILHL-ACRUOGEOSA-N 1 2 352.478 2.552 20 30 FFEDLO N#Cc1nnc2ccccc2c1Nc1ccc([NH+]2CCC(C(N)=O)CC2)cc1 ZINC000740867939 999688088 /nfs/dbraw/zinc/68/80/88/999688088.db2.gz KFCPRMHLEKBRIH-UHFFFAOYSA-N 1 2 372.432 2.947 20 30 FFEDLO Cc1cc(NC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC001054455351 1016342041 /nfs/dbraw/zinc/34/20/41/1016342041.db2.gz RNTQBRQHJBEGPO-IUODEOHRSA-N 1 2 364.453 2.682 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000742859040 999791548 /nfs/dbraw/zinc/79/15/48/999791548.db2.gz RUMDUFDXUGMXRY-HXUWFJFHSA-N 1 2 374.444 2.965 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2sc(-c3ccc(OC)cc3)nc2C)CC1 ZINC000744370824 999853091 /nfs/dbraw/zinc/85/30/91/999853091.db2.gz BRDAFGPIUHQWCJ-UHFFFAOYSA-N 1 2 369.490 2.908 20 30 FFEDLO N#CC12CCC(Nc3ccc(OCC[NH+]4CCOCC4)nc3)(CC1)CC2 ZINC001169752156 1000073506 /nfs/dbraw/zinc/07/35/06/1000073506.db2.gz PRXJHKCELIORSP-UHFFFAOYSA-N 1 2 356.470 2.821 20 30 FFEDLO COc1cc(C#N)ccc1COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000766900194 1000089139 /nfs/dbraw/zinc/08/91/39/1000089139.db2.gz JGSJIJJCXBTUGO-HXUWFJFHSA-N 1 2 366.417 2.511 20 30 FFEDLO COc1cc(C#N)ccc1COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000766900194 1000089141 /nfs/dbraw/zinc/08/91/41/1000089141.db2.gz JGSJIJJCXBTUGO-HXUWFJFHSA-N 1 2 366.417 2.511 20 30 FFEDLO C#CCCN(CC(F)(F)F)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000767203483 1000103511 /nfs/dbraw/zinc/10/35/11/1000103511.db2.gz DNGGNPPKTOTQBL-UHFFFAOYSA-N 1 2 366.299 2.808 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC(C)C)C2 ZINC001108950824 1000135455 /nfs/dbraw/zinc/13/54/55/1000135455.db2.gz QSWWLYXUCASGTO-SQNIBIBYSA-N 1 2 373.522 2.930 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC(C)C)C2 ZINC001108950824 1000135457 /nfs/dbraw/zinc/13/54/57/1000135457.db2.gz QSWWLYXUCASGTO-SQNIBIBYSA-N 1 2 373.522 2.930 20 30 FFEDLO CCO[C@@H](CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109012116 1000150228 /nfs/dbraw/zinc/15/02/28/1000150228.db2.gz VSZMYSNBMFPVEB-BVBHFADKSA-N 1 2 359.445 2.734 20 30 FFEDLO CCO[C@@H](CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109012116 1000150230 /nfs/dbraw/zinc/15/02/30/1000150230.db2.gz VSZMYSNBMFPVEB-BVBHFADKSA-N 1 2 359.445 2.734 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001109028210 1000152506 /nfs/dbraw/zinc/15/25/06/1000152506.db2.gz MCTHCPINQZAZJN-IDCXYZFESA-N 1 2 370.468 2.714 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001109028210 1000152507 /nfs/dbraw/zinc/15/25/07/1000152507.db2.gz MCTHCPINQZAZJN-IDCXYZFESA-N 1 2 370.468 2.714 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nsc2ccccc12 ZINC001109070789 1000161626 /nfs/dbraw/zinc/16/16/26/1000161626.db2.gz JIPJUJQABVLGGK-KMFMINBZSA-N 1 2 357.479 2.720 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nsc2ccccc12 ZINC001109070789 1000161629 /nfs/dbraw/zinc/16/16/29/1000161629.db2.gz JIPJUJQABVLGGK-KMFMINBZSA-N 1 2 357.479 2.720 20 30 FFEDLO CCOC(=O)c1cn(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)nc1C ZINC000767986429 1000167660 /nfs/dbraw/zinc/16/76/60/1000167660.db2.gz JSDILVAOCJIMJX-UHFFFAOYSA-N 1 2 350.422 2.987 20 30 FFEDLO CCOC(=O)c1cn(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)nc1C ZINC000767986429 1000167661 /nfs/dbraw/zinc/16/76/61/1000167661.db2.gz JSDILVAOCJIMJX-UHFFFAOYSA-N 1 2 350.422 2.987 20 30 FFEDLO CC(C)(C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109173201 1000181378 /nfs/dbraw/zinc/18/13/78/1000181378.db2.gz VUTQGVZDCGEZGX-NJAFHUGGSA-N 1 2 359.445 2.734 20 30 FFEDLO CC(C)(C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109173201 1000181379 /nfs/dbraw/zinc/18/13/79/1000181379.db2.gz VUTQGVZDCGEZGX-NJAFHUGGSA-N 1 2 359.445 2.734 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)Nc1ccccc1C ZINC001109204566 1000185990 /nfs/dbraw/zinc/18/59/90/1000185990.db2.gz SSONGEXECMHRJU-HNJRGHQBSA-N 1 2 367.493 2.847 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)Nc1ccccc1C ZINC001109204566 1000185992 /nfs/dbraw/zinc/18/59/92/1000185992.db2.gz SSONGEXECMHRJU-HNJRGHQBSA-N 1 2 367.493 2.847 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1F ZINC001109213612 1000188630 /nfs/dbraw/zinc/18/86/30/1000188630.db2.gz UYIJYIRTGYLWCZ-WMEZAQDKSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1F ZINC001109213612 1000188631 /nfs/dbraw/zinc/18/86/31/1000188631.db2.gz UYIJYIRTGYLWCZ-WMEZAQDKSA-N 1 2 350.409 2.513 20 30 FFEDLO CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)C=CC(=O)c1ccccc1)C2 ZINC001144704843 1000200956 /nfs/dbraw/zinc/20/09/56/1000200956.db2.gz CQSYLEKMLWHWOR-MDZDMXLPSA-N 1 2 366.465 2.574 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1Cl ZINC001109266943 1000207746 /nfs/dbraw/zinc/20/77/46/1000207746.db2.gz JGRCFYGXUGAHMB-FXBSTXGRSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1Cl ZINC001109266943 1000207750 /nfs/dbraw/zinc/20/77/50/1000207750.db2.gz JGRCFYGXUGAHMB-FXBSTXGRSA-N 1 2 364.848 2.739 20 30 FFEDLO Cc1cc(N2CC[C@@H]3CCN(C(=O)C#CC(C)C)C[C@@H]32)nc(C2CC2)[nH+]1 ZINC001091213431 1000272861 /nfs/dbraw/zinc/27/28/61/1000272861.db2.gz SMSJTEPIMXMZEB-WMZOPIPTSA-N 1 2 352.482 2.749 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(CC)CC ZINC001109328632 1000294754 /nfs/dbraw/zinc/29/47/54/1000294754.db2.gz SVHXGMASRBHVHK-QYZOEREBSA-N 1 2 361.530 2.781 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(CC)CC ZINC001109328632 1000294757 /nfs/dbraw/zinc/29/47/57/1000294757.db2.gz SVHXGMASRBHVHK-QYZOEREBSA-N 1 2 361.530 2.781 20 30 FFEDLO C#CCOc1ccccc1C[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000769129919 1000441979 /nfs/dbraw/zinc/44/19/79/1000441979.db2.gz AXGUFTJJQFTKSS-UHFFFAOYSA-N 1 2 366.436 2.725 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000769541567 1000533169 /nfs/dbraw/zinc/53/31/69/1000533169.db2.gz BKSXEKZVCQNIRM-MRXNPFEDSA-N 1 2 355.438 2.823 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCCOc1ccccc1)C2 ZINC001109477047 1000534250 /nfs/dbraw/zinc/53/42/50/1000534250.db2.gz BKNIESJUVLHDQZ-NJAFHUGGSA-N 1 2 364.873 2.556 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCCOc1ccccc1)C2 ZINC001109477047 1000534253 /nfs/dbraw/zinc/53/42/53/1000534253.db2.gz BKNIESJUVLHDQZ-NJAFHUGGSA-N 1 2 364.873 2.556 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1c(C)nn(C)c1C)C2 ZINC001096663437 1016416857 /nfs/dbraw/zinc/41/68/57/1016416857.db2.gz MLZRWEAIRMJMOM-FWYOQMDTSA-N 1 2 350.894 2.614 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1c(C)nn(C)c1C)C2 ZINC001096663437 1016416865 /nfs/dbraw/zinc/41/68/65/1016416865.db2.gz MLZRWEAIRMJMOM-FWYOQMDTSA-N 1 2 350.894 2.614 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1C1CCCC1)C2 ZINC001109490263 1000552712 /nfs/dbraw/zinc/55/27/12/1000552712.db2.gz NLBRTGNNCSBKGZ-IKGGRYGDSA-N 1 2 373.522 2.786 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1C1CCCC1)C2 ZINC001109490263 1000552715 /nfs/dbraw/zinc/55/27/15/1000552715.db2.gz NLBRTGNNCSBKGZ-IKGGRYGDSA-N 1 2 373.522 2.786 20 30 FFEDLO CCC[C@@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109592224 1000689400 /nfs/dbraw/zinc/68/94/00/1000689400.db2.gz LHWRZEZHVVFZMV-XGXHKWSGSA-N 1 2 359.445 2.734 20 30 FFEDLO CCC[C@@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109592224 1000689406 /nfs/dbraw/zinc/68/94/06/1000689406.db2.gz LHWRZEZHVVFZMV-XGXHKWSGSA-N 1 2 359.445 2.734 20 30 FFEDLO Cc1nc(N[C@@H]2CC[C@H](CNC(=O)CCCn3cc[nH+]c3)C2)ccc1C#N ZINC001091585896 1000731996 /nfs/dbraw/zinc/73/19/96/1000731996.db2.gz FQIKJFCIDQCTAZ-FUHWJXTLSA-N 1 2 366.469 2.635 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC13CCOCC3)C2 ZINC001096682300 1016433273 /nfs/dbraw/zinc/43/32/73/1016433273.db2.gz FHGYYZHIXPXSRC-FYQPLNBISA-N 1 2 365.477 2.596 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC13CCOCC3)C2 ZINC001096682300 1016433276 /nfs/dbraw/zinc/43/32/76/1016433276.db2.gz FHGYYZHIXPXSRC-FYQPLNBISA-N 1 2 365.477 2.596 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1ccco1 ZINC001109678589 1000852453 /nfs/dbraw/zinc/85/24/53/1000852453.db2.gz ATMARXCMVHRTIA-CNTRQJEFSA-N 1 2 373.497 2.562 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1ccco1 ZINC001109678589 1000852459 /nfs/dbraw/zinc/85/24/59/1000852459.db2.gz ATMARXCMVHRTIA-CNTRQJEFSA-N 1 2 373.497 2.562 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1c(C)noc1C)C2 ZINC001109815651 1001039505 /nfs/dbraw/zinc/03/95/05/1001039505.db2.gz KNUJLXPFGFOQGP-NVULLMEXSA-N 1 2 351.878 2.944 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1c(C)noc1C)C2 ZINC001109815651 1001039509 /nfs/dbraw/zinc/03/95/09/1001039509.db2.gz KNUJLXPFGFOQGP-NVULLMEXSA-N 1 2 351.878 2.944 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)NC(=O)CC1CCCC1)C2 ZINC001109840231 1001058762 /nfs/dbraw/zinc/05/87/62/1001058762.db2.gz MDTHFWUGQCSQCI-SIXLDLHFSA-N 1 2 367.921 2.545 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)NC(=O)CC1CCCC1)C2 ZINC001109840231 1001058768 /nfs/dbraw/zinc/05/87/68/1001058768.db2.gz MDTHFWUGQCSQCI-SIXLDLHFSA-N 1 2 367.921 2.545 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001091689879 1001085389 /nfs/dbraw/zinc/08/53/89/1001085389.db2.gz LLATULMIZDYCGP-ZBFHGGJFSA-N 1 2 360.506 2.641 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccn2)C3)c1 ZINC001096730907 1016483223 /nfs/dbraw/zinc/48/32/23/1016483223.db2.gz POCPMFATEREEMU-LZQZEXGQSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccn2)C3)c1 ZINC001096730907 1016483235 /nfs/dbraw/zinc/48/32/35/1016483235.db2.gz POCPMFATEREEMU-LZQZEXGQSA-N 1 2 350.397 2.628 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(s1)CCCC3)C2 ZINC001110064675 1001418528 /nfs/dbraw/zinc/41/85/28/1001418528.db2.gz YICJWNBQXWTDQJ-IKGGRYGDSA-N 1 2 358.507 2.612 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(s1)CCCC3)C2 ZINC001110064675 1001418531 /nfs/dbraw/zinc/41/85/31/1001418531.db2.gz YICJWNBQXWTDQJ-IKGGRYGDSA-N 1 2 358.507 2.612 20 30 FFEDLO C=CCSCC(=O)N1CC[C@H]2C[N@H+](Cc3nc4ccccc4[nH]3)C[C@H]21 ZINC001273477478 1002063032 /nfs/dbraw/zinc/06/30/32/1002063032.db2.gz CRPXZRZOFAQKMM-WMLDXEAASA-N 1 2 356.495 2.515 20 30 FFEDLO C=CCSCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc4ccccc4[nH]3)C[C@H]21 ZINC001273477478 1002063045 /nfs/dbraw/zinc/06/30/45/1002063045.db2.gz CRPXZRZOFAQKMM-WMLDXEAASA-N 1 2 356.495 2.515 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](Nc1cccc(F)c1C#N)C1CC1 ZINC001096816676 1016588904 /nfs/dbraw/zinc/58/89/04/1016588904.db2.gz AHRRDRUESXOJKE-LBTNJELSSA-N 1 2 367.428 2.541 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](Nc1nc(C)[nH+]c2c1CCCC2)C1CC1 ZINC001096821151 1016597772 /nfs/dbraw/zinc/59/77/72/1016597772.db2.gz GKOXDHASVKMORV-QRQLOZEOSA-N 1 2 370.497 2.562 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171373419 1002345994 /nfs/dbraw/zinc/34/59/94/1002345994.db2.gz YUSMQMZLQOFXTG-BEFAXECRSA-N 1 2 374.435 2.753 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171373419 1002345999 /nfs/dbraw/zinc/34/59/99/1002345999.db2.gz YUSMQMZLQOFXTG-BEFAXECRSA-N 1 2 374.435 2.753 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CCO[C@H]2C1 ZINC001183828805 1002401350 /nfs/dbraw/zinc/40/13/50/1002401350.db2.gz MXATZWBLIWWCEL-AHRSYUTCSA-N 1 2 353.466 2.550 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CCO[C@H]2C1 ZINC001183828805 1002401355 /nfs/dbraw/zinc/40/13/55/1002401355.db2.gz MXATZWBLIWWCEL-AHRSYUTCSA-N 1 2 353.466 2.550 20 30 FFEDLO CCN=c1ccc(N)cn1C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183828816 1002402454 /nfs/dbraw/zinc/40/24/54/1002402454.db2.gz NDLGPIHLDNCOGJ-IBGZPJMESA-N 1 2 363.465 2.557 20 30 FFEDLO CCN=c1ccc(N)cn1C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183828816 1002402460 /nfs/dbraw/zinc/40/24/60/1002402460.db2.gz NDLGPIHLDNCOGJ-IBGZPJMESA-N 1 2 363.465 2.557 20 30 FFEDLO Cc1ncsc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001096841267 1016621471 /nfs/dbraw/zinc/62/14/71/1016621471.db2.gz KKBJIUFDFDPEDN-KURKYZTESA-N 1 2 351.475 2.838 20 30 FFEDLO Cc1ncsc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001096841267 1016621481 /nfs/dbraw/zinc/62/14/81/1016621481.db2.gz KKBJIUFDFDPEDN-KURKYZTESA-N 1 2 351.475 2.838 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1occc1Br ZINC001276250235 1016622278 /nfs/dbraw/zinc/62/22/78/1016622278.db2.gz XGAROIAUYDZZMT-INIZCTEOSA-N 1 2 351.244 2.632 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1occc1Br ZINC001276250235 1016622290 /nfs/dbraw/zinc/62/22/90/1016622290.db2.gz XGAROIAUYDZZMT-INIZCTEOSA-N 1 2 351.244 2.632 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)c1cnsn1 ZINC001096845782 1016629253 /nfs/dbraw/zinc/62/92/53/1016629253.db2.gz NVEJHBZYAKNJFY-INMHGKMJSA-N 1 2 372.881 2.578 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)c1cnsn1 ZINC001096845782 1016629260 /nfs/dbraw/zinc/62/92/60/1016629260.db2.gz NVEJHBZYAKNJFY-INMHGKMJSA-N 1 2 372.881 2.578 20 30 FFEDLO N#Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)OC2=O)c1 ZINC001184367604 1002598588 /nfs/dbraw/zinc/59/85/88/1002598588.db2.gz IZCSDMWQIIQBDH-SFHVURJKSA-N 1 2 373.372 2.708 20 30 FFEDLO Cc1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096859475 1016648971 /nfs/dbraw/zinc/64/89/71/1016648971.db2.gz KTWDCVCRKVAGPG-OIISXLGYSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096859475 1016648978 /nfs/dbraw/zinc/64/89/78/1016648978.db2.gz KTWDCVCRKVAGPG-OIISXLGYSA-N 1 2 354.385 2.529 20 30 FFEDLO CC(C)CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ncccc2C#N)C1 ZINC001092313398 1002660846 /nfs/dbraw/zinc/66/08/46/1002660846.db2.gz HRDLUEVVJFSQQD-IAGOWNOFSA-N 1 2 366.469 2.529 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccnnc2C)C1 ZINC001086597601 1002664727 /nfs/dbraw/zinc/66/47/27/1002664727.db2.gz OKTKFXOGCVGXEO-ZWKOTPCHSA-N 1 2 356.857 2.735 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccnnc2C)C1 ZINC001086597601 1002664733 /nfs/dbraw/zinc/66/47/33/1002664733.db2.gz OKTKFXOGCVGXEO-ZWKOTPCHSA-N 1 2 356.857 2.735 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2nc(C)cc(C)n2)C1 ZINC001092314837 1002666354 /nfs/dbraw/zinc/66/63/54/1002666354.db2.gz UUPAXAALGQDQHD-IAGOWNOFSA-N 1 2 368.485 2.590 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cccc(F)c2C#N)C1 ZINC001092314898 1002666729 /nfs/dbraw/zinc/66/67/29/1002666729.db2.gz XLKHICGMKQBRJK-CRAIPNDOSA-N 1 2 367.428 2.804 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C)nn2)C1 ZINC001092316331 1002669843 /nfs/dbraw/zinc/66/98/43/1002669843.db2.gz ZJECIODEOKGCQN-HZPDHXFCSA-N 1 2 368.485 2.527 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110351858 1002674151 /nfs/dbraw/zinc/67/41/51/1002674151.db2.gz LDKBTFQNIGRAGT-GVXRKXQCSA-N 1 2 373.472 2.980 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110351858 1002674157 /nfs/dbraw/zinc/67/41/57/1002674157.db2.gz LDKBTFQNIGRAGT-GVXRKXQCSA-N 1 2 373.472 2.980 20 30 FFEDLO Cc1nc(N2C[C@@H]3CN(C(=O)CC#Cc4ccccc4)C[C@]3(C)C2)cc[nH+]1 ZINC001092290255 1002700253 /nfs/dbraw/zinc/70/02/53/1002700253.db2.gz XREQKZVLGPJMGV-KNQAVFIVSA-N 1 2 360.461 2.512 20 30 FFEDLO N#Cc1ccc(NC(=O)Nc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001184754023 1002701409 /nfs/dbraw/zinc/70/14/09/1002701409.db2.gz UYAXMLRILFGBSH-UHFFFAOYSA-N 1 2 366.421 2.913 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccnc(F)c2)C3)s1 ZINC001096871926 1016662031 /nfs/dbraw/zinc/66/20/31/1016662031.db2.gz SYCMMHLGQVDVFV-WQVCFCJDSA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccnc(F)c2)C3)s1 ZINC001096871926 1016662043 /nfs/dbraw/zinc/66/20/43/1016662043.db2.gz SYCMMHLGQVDVFV-WQVCFCJDSA-N 1 2 356.426 2.689 20 30 FFEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1C)c1nccn12 ZINC001092402159 1002778121 /nfs/dbraw/zinc/77/81/21/1002778121.db2.gz MOCZZUKLOGDIAU-IPMKNSEASA-N 1 2 362.477 2.753 20 30 FFEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1sccc1C)c1nccn12 ZINC001092369036 1002784843 /nfs/dbraw/zinc/78/48/43/1002784843.db2.gz UBIQPIRLMJCYQJ-BZUAXINKSA-N 1 2 368.506 2.815 20 30 FFEDLO Cc1cc(C[N@@H+]2CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC000774911034 1003018040 /nfs/dbraw/zinc/01/80/40/1003018040.db2.gz FOKQDOXKEDFGSV-YJBOKZPZSA-N 1 2 359.470 2.981 20 30 FFEDLO Cc1cc(C[N@H+]2CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC000774911034 1003018051 /nfs/dbraw/zinc/01/80/51/1003018051.db2.gz FOKQDOXKEDFGSV-YJBOKZPZSA-N 1 2 359.470 2.981 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccncc2F)C3)c(F)c1 ZINC001096908611 1016722469 /nfs/dbraw/zinc/72/24/69/1016722469.db2.gz RTVAXHIIQSMYDW-ZMYBRWDISA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccncc2F)C3)c(F)c1 ZINC001096908611 1016722482 /nfs/dbraw/zinc/72/24/82/1016722482.db2.gz RTVAXHIIQSMYDW-ZMYBRWDISA-N 1 2 368.387 2.767 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113933334 1003251135 /nfs/dbraw/zinc/25/11/35/1003251135.db2.gz RVOSABKFZOLEBM-OIISXLGYSA-N 1 2 358.486 2.585 20 30 FFEDLO Cc1cccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001096934191 1016758338 /nfs/dbraw/zinc/75/83/38/1016758338.db2.gz OJHOBQQYMLHGOQ-XYPHTWIQSA-N 1 2 352.463 2.859 20 30 FFEDLO Cc1cccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001096934191 1016758346 /nfs/dbraw/zinc/75/83/46/1016758346.db2.gz OJHOBQQYMLHGOQ-XYPHTWIQSA-N 1 2 352.463 2.859 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC(F)(F)C2)C3)c(F)c1 ZINC001096940174 1016768231 /nfs/dbraw/zinc/76/82/31/1016768231.db2.gz UHNLBDMEMDMORI-OIISXLGYSA-N 1 2 363.383 2.964 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC(F)(F)C2)C3)c(F)c1 ZINC001096940174 1016768241 /nfs/dbraw/zinc/76/82/41/1016768241.db2.gz UHNLBDMEMDMORI-OIISXLGYSA-N 1 2 363.383 2.964 20 30 FFEDLO C#CCn1ccc(CN(CC)C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)n1 ZINC000793984084 1003543635 /nfs/dbraw/zinc/54/36/35/1003543635.db2.gz UPRPGRXSQUODPS-UHFFFAOYSA-N 1 2 371.391 2.501 20 30 FFEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H](C)c3csnn3)C[C@H]2C)cc1 ZINC001092876271 1003652807 /nfs/dbraw/zinc/65/28/07/1003652807.db2.gz AFGUOKUIIBGWGH-CKEIUWERSA-N 1 2 354.479 2.578 20 30 FFEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]([C@H](C)c3csnn3)C[C@H]2C)cc1 ZINC001092876271 1003652813 /nfs/dbraw/zinc/65/28/13/1003652813.db2.gz AFGUOKUIIBGWGH-CKEIUWERSA-N 1 2 354.479 2.578 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)c(OC)c2)C[C@H]1O ZINC001196474813 1003781294 /nfs/dbraw/zinc/78/12/94/1003781294.db2.gz LIMJRHXMIDTBCE-HZPDHXFCSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(OC)c2)C[C@H]1O ZINC001196474813 1003781302 /nfs/dbraw/zinc/78/13/02/1003781302.db2.gz LIMJRHXMIDTBCE-HZPDHXFCSA-N 1 2 366.889 2.612 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(F)cn2)C3)cc1F ZINC001096988107 1016838788 /nfs/dbraw/zinc/83/87/88/1016838788.db2.gz PSCNABQEXWXZFS-LZQZEXGQSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(F)cn2)C3)cc1F ZINC001096988107 1016838805 /nfs/dbraw/zinc/83/88/05/1016838805.db2.gz PSCNABQEXWXZFS-LZQZEXGQSA-N 1 2 368.387 2.767 20 30 FFEDLO CCCCCC[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001197082609 1004076128 /nfs/dbraw/zinc/07/61/28/1004076128.db2.gz KBLDYHPJBQCADL-BMGDILEWSA-N 1 2 363.527 2.888 20 30 FFEDLO CCCCCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001197082609 1004076134 /nfs/dbraw/zinc/07/61/34/1004076134.db2.gz KBLDYHPJBQCADL-BMGDILEWSA-N 1 2 363.527 2.888 20 30 FFEDLO N#Cc1ccc2c(n1)CCCN2C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001130600794 1004290000 /nfs/dbraw/zinc/29/00/00/1004290000.db2.gz ILWZXAHDKMNAOA-UHFFFAOYSA-N 1 2 374.360 2.640 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(F)cccc1F ZINC001110500773 1004462198 /nfs/dbraw/zinc/46/21/98/1004462198.db2.gz LWYWECADRSAZSL-JOCQJMSRSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(F)cccc1F ZINC001110500773 1004462203 /nfs/dbraw/zinc/46/22/03/1004462203.db2.gz LWYWECADRSAZSL-JOCQJMSRSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(O)ccc1Cl ZINC001110502894 1004488801 /nfs/dbraw/zinc/48/88/01/1004488801.db2.gz VTJZDWMEQXCBCK-WKCGWZECSA-N 1 2 364.873 2.594 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(O)ccc1Cl ZINC001110502894 1004488807 /nfs/dbraw/zinc/48/88/07/1004488807.db2.gz VTJZDWMEQXCBCK-WKCGWZECSA-N 1 2 364.873 2.594 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1 ZINC000807178444 1004529299 /nfs/dbraw/zinc/52/92/99/1004529299.db2.gz LULUSUFULKACTQ-MOPGFXCFSA-N 1 2 369.852 2.518 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000807178444 1004529303 /nfs/dbraw/zinc/52/93/03/1004529303.db2.gz LULUSUFULKACTQ-MOPGFXCFSA-N 1 2 369.852 2.518 20 30 FFEDLO CC(C)(C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110464096 1004850090 /nfs/dbraw/zinc/85/00/90/1004850090.db2.gz HYPFZRGZMSUMBC-QRVBRYPASA-N 1 2 358.457 2.714 20 30 FFEDLO CC(C)(C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110464096 1004850098 /nfs/dbraw/zinc/85/00/98/1004850098.db2.gz HYPFZRGZMSUMBC-QRVBRYPASA-N 1 2 358.457 2.714 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(Cl)ccc1F ZINC001110553319 1005110379 /nfs/dbraw/zinc/11/03/79/1005110379.db2.gz JMXIVPLGFQRHHC-NXHRZFHOSA-N 1 2 364.848 2.741 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(Cl)ccc1F ZINC001110553319 1005110381 /nfs/dbraw/zinc/11/03/81/1005110381.db2.gz JMXIVPLGFQRHHC-NXHRZFHOSA-N 1 2 364.848 2.741 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1cc(C)ccc1F)C2 ZINC001110567675 1005236561 /nfs/dbraw/zinc/23/65/61/1005236561.db2.gz DEGNCBYQXFIDNO-BMFZPTHFSA-N 1 2 352.837 2.987 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1cc(C)ccc1F)C2 ZINC001110567675 1005236564 /nfs/dbraw/zinc/23/65/64/1005236564.db2.gz DEGNCBYQXFIDNO-BMFZPTHFSA-N 1 2 352.837 2.987 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nnn1CC ZINC001110594354 1005387375 /nfs/dbraw/zinc/38/73/75/1005387375.db2.gz QZWQGYJNCJMJEI-KURKYZTESA-N 1 2 357.502 2.596 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nnn1CC ZINC001110594354 1005387377 /nfs/dbraw/zinc/38/73/77/1005387377.db2.gz QZWQGYJNCJMJEI-KURKYZTESA-N 1 2 357.502 2.596 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nnc(-c3ccco3)o2)[C@@H]1CC ZINC001489112541 1005411647 /nfs/dbraw/zinc/41/16/47/1005411647.db2.gz YLVQMYPOKNQXHC-LSDHHAIUSA-N 1 2 356.426 2.602 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nnc(-c3ccco3)o2)[C@@H]1CC ZINC001489112541 1005411649 /nfs/dbraw/zinc/41/16/49/1005411649.db2.gz YLVQMYPOKNQXHC-LSDHHAIUSA-N 1 2 356.426 2.602 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cncc(F)c2)CC[C@@H]1c1ccccc1 ZINC001489090367 1005418156 /nfs/dbraw/zinc/41/81/56/1005418156.db2.gz ISVMBQKBSJGPSN-CDHQVMDDSA-N 1 2 366.440 2.855 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cncc(F)c2)CC[C@@H]1c1ccccc1 ZINC001489090367 1005418158 /nfs/dbraw/zinc/41/81/58/1005418158.db2.gz ISVMBQKBSJGPSN-CDHQVMDDSA-N 1 2 366.440 2.855 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)C(C)C ZINC001110603458 1005508294 /nfs/dbraw/zinc/50/82/94/1005508294.db2.gz FBLKWWHBINNDJH-ZACQAIPSSA-N 1 2 370.559 2.524 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)C(C)C ZINC001110603458 1005508297 /nfs/dbraw/zinc/50/82/97/1005508297.db2.gz FBLKWWHBINNDJH-ZACQAIPSSA-N 1 2 370.559 2.524 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@H]21 ZINC001489650493 1005517461 /nfs/dbraw/zinc/51/74/61/1005517461.db2.gz IMCQXAJGOHHPSS-BHIYHBOVSA-N 1 2 370.497 2.662 20 30 FFEDLO Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)C#CC(C)C)C2)c(C)[nH+]1 ZINC001490417448 1005717435 /nfs/dbraw/zinc/71/74/35/1005717435.db2.gz RHCRCBMNEPGMKW-VQIMIIECSA-N 1 2 369.509 2.881 20 30 FFEDLO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)cc1 ZINC000852329547 1005980561 /nfs/dbraw/zinc/98/05/61/1005980561.db2.gz CWILTFKZBCOOTJ-NRFANRHFSA-N 1 2 364.449 2.976 20 30 FFEDLO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)cc1 ZINC000852329547 1005980575 /nfs/dbraw/zinc/98/05/75/1005980575.db2.gz CWILTFKZBCOOTJ-NRFANRHFSA-N 1 2 364.449 2.976 20 30 FFEDLO CSC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110393409 1006068987 /nfs/dbraw/zinc/06/89/87/1006068987.db2.gz ITXKTQGSGFCSMA-XFHKCVFHSA-N 1 2 361.486 2.918 20 30 FFEDLO CSC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110393409 1006069001 /nfs/dbraw/zinc/06/90/01/1006069001.db2.gz ITXKTQGSGFCSMA-XFHKCVFHSA-N 1 2 361.486 2.918 20 30 FFEDLO C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001187473093 1006100254 /nfs/dbraw/zinc/10/02/54/1006100254.db2.gz SZHRZSPHPFGNEO-DLBZAZTESA-N 1 2 361.486 2.814 20 30 FFEDLO C=CCOCCCC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001187473093 1006100263 /nfs/dbraw/zinc/10/02/63/1006100263.db2.gz SZHRZSPHPFGNEO-DLBZAZTESA-N 1 2 361.486 2.814 20 30 FFEDLO C#C[C@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CCOCC1 ZINC000852639273 1006118868 /nfs/dbraw/zinc/11/88/68/1006118868.db2.gz LBUNXBZGZJMMBP-IBGZPJMESA-N 1 2 370.497 2.537 20 30 FFEDLO CO[C@@H](C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187614234 1006170566 /nfs/dbraw/zinc/17/05/66/1006170566.db2.gz WYTAILOGEFZVAO-URLQWDBASA-N 1 2 359.445 2.545 20 30 FFEDLO CO[C@@H](C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187614234 1006170571 /nfs/dbraw/zinc/17/05/71/1006170571.db2.gz WYTAILOGEFZVAO-URLQWDBASA-N 1 2 359.445 2.545 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nc(CCCC)no3)C[C@H]21 ZINC001187713439 1006211060 /nfs/dbraw/zinc/21/10/60/1006211060.db2.gz AYACJWQOOBZFND-YESZJQIVSA-N 1 2 358.486 2.809 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3nc(CCCC)no3)C[C@H]21 ZINC001187713439 1006211066 /nfs/dbraw/zinc/21/10/66/1006211066.db2.gz AYACJWQOOBZFND-YESZJQIVSA-N 1 2 358.486 2.809 20 30 FFEDLO Cc1ccc(N2CC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)[C@@H](C)C2)cc1C ZINC000747969408 1006392457 /nfs/dbraw/zinc/39/24/57/1006392457.db2.gz NBVBEDZPTGTAPF-UWJYYQICSA-N 1 2 354.498 2.622 20 30 FFEDLO Cc1ccc(N2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)[C@@H](C)C2)cc1C ZINC000747969408 1006392463 /nfs/dbraw/zinc/39/24/63/1006392463.db2.gz NBVBEDZPTGTAPF-UWJYYQICSA-N 1 2 354.498 2.622 20 30 FFEDLO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1cccnc1Cl ZINC001170769206 1006458231 /nfs/dbraw/zinc/45/82/31/1006458231.db2.gz NQQHJYMIBOMHQL-UHFFFAOYSA-N 1 2 358.829 2.694 20 30 FFEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1cccnc1Cl ZINC001170769206 1006458240 /nfs/dbraw/zinc/45/82/40/1006458240.db2.gz NQQHJYMIBOMHQL-UHFFFAOYSA-N 1 2 358.829 2.694 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001188244777 1006460436 /nfs/dbraw/zinc/46/04/36/1006460436.db2.gz AWKQKYNNGBIESD-ZWKOTPCHSA-N 1 2 368.502 2.951 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001188244777 1006460439 /nfs/dbraw/zinc/46/04/39/1006460439.db2.gz AWKQKYNNGBIESD-ZWKOTPCHSA-N 1 2 368.502 2.951 20 30 FFEDLO N#Cc1ccc(F)c(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000854256871 1006742886 /nfs/dbraw/zinc/74/28/86/1006742886.db2.gz ZJFSKVMEGVCGDH-UHFFFAOYSA-N 1 2 353.397 2.534 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4ccoc4)no3)C[C@H]21 ZINC001188884438 1006766296 /nfs/dbraw/zinc/76/62/96/1006766296.db2.gz JAKRWRZOKUJICT-HLLBOEOZSA-N 1 2 370.453 2.965 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4ccoc4)no3)C[C@H]21 ZINC001188884438 1006766310 /nfs/dbraw/zinc/76/63/10/1006766310.db2.gz JAKRWRZOKUJICT-HLLBOEOZSA-N 1 2 370.453 2.965 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001188903241 1006795693 /nfs/dbraw/zinc/79/56/93/1006795693.db2.gz NRUZFYVRRIPXRQ-FXAWDEMLSA-N 1 2 353.441 2.924 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001188903241 1006795703 /nfs/dbraw/zinc/79/57/03/1006795703.db2.gz NRUZFYVRRIPXRQ-FXAWDEMLSA-N 1 2 353.441 2.924 20 30 FFEDLO N#Cc1c2ccccc2[nH]c1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001135381554 1006903113 /nfs/dbraw/zinc/90/31/13/1006903113.db2.gz IZASWHXKOUAGKD-UHFFFAOYSA-N 1 2 374.444 2.876 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(OCCOC)cc3)[C@@H]2C1 ZINC001189683616 1007207288 /nfs/dbraw/zinc/20/72/88/1007207288.db2.gz QVKXESDNGCBTKS-FUHWJXTLSA-N 1 2 364.873 2.611 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(OCCOC)cc3)[C@@H]2C1 ZINC001189683616 1007207296 /nfs/dbraw/zinc/20/72/96/1007207296.db2.gz QVKXESDNGCBTKS-FUHWJXTLSA-N 1 2 364.873 2.611 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(F)ccc2F)[nH]1 ZINC001095328166 1007328228 /nfs/dbraw/zinc/32/82/28/1007328228.db2.gz WRXBMRXISIKNDK-JLSDUUJJSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(F)ccc2F)[nH]1 ZINC001095328166 1007328241 /nfs/dbraw/zinc/32/82/41/1007328241.db2.gz WRXBMRXISIKNDK-JLSDUUJJSA-N 1 2 356.376 2.700 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)OCCc3ccccc3)[C@@H]2C1 ZINC001189992450 1007413594 /nfs/dbraw/zinc/41/35/94/1007413594.db2.gz LCGAIMOIZXELDG-NZSAHSFTSA-N 1 2 362.901 2.919 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)OCCc3ccccc3)[C@@H]2C1 ZINC001189992450 1007413604 /nfs/dbraw/zinc/41/36/04/1007413604.db2.gz LCGAIMOIZXELDG-NZSAHSFTSA-N 1 2 362.901 2.919 20 30 FFEDLO N#Cc1ccc(NCC(=O)OCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000817179729 1007459167 /nfs/dbraw/zinc/45/91/67/1007459167.db2.gz QKGNNAXTWLVWTP-UHFFFAOYSA-N 1 2 365.433 2.546 20 30 FFEDLO CO[C@@H](CO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1)C1CC1 ZINC000818082145 1007859883 /nfs/dbraw/zinc/85/98/83/1007859883.db2.gz JRHJBCVOBTXMKJ-INIZCTEOSA-N 1 2 363.458 2.773 20 30 FFEDLO CCOCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)CC1 ZINC001110738774 1008243292 /nfs/dbraw/zinc/24/32/92/1008243292.db2.gz SWLDNFGJRUWSJV-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO CCOCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)CC1 ZINC001110738774 1008243293 /nfs/dbraw/zinc/24/32/93/1008243293.db2.gz SWLDNFGJRUWSJV-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c(C)n1-c1ccc(C#N)cc1 ZINC000857946439 1008256338 /nfs/dbraw/zinc/25/63/38/1008256338.db2.gz VJKVDMJIZXYPLX-KRWDZBQOSA-N 1 2 359.433 2.907 20 30 FFEDLO C=CC[C@]1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CCCN1C(=O)OC(C)(C)C ZINC000857947739 1008257314 /nfs/dbraw/zinc/25/73/14/1008257314.db2.gz VHVALDZVDOMVGA-FOIQADDNSA-N 1 2 374.485 2.660 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCc2cc(C#N)ccc2F)cc1 ZINC000820335788 1008320592 /nfs/dbraw/zinc/32/05/92/1008320592.db2.gz UMFLODGQYFJJHF-LJQANCHMSA-N 1 2 353.397 2.597 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCc2cc(C#N)ccc2F)cc1 ZINC000820335788 1008320598 /nfs/dbraw/zinc/32/05/98/1008320598.db2.gz UMFLODGQYFJJHF-LJQANCHMSA-N 1 2 353.397 2.597 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(F)nc3F)CC2)cc1 ZINC000821471719 1008468463 /nfs/dbraw/zinc/46/84/63/1008468463.db2.gz PWITZRNEBZZKLI-UHFFFAOYSA-N 1 2 357.364 2.581 20 30 FFEDLO C#CCN(CC(=O)Nc1cccc(-n2cc[nH+]c2)c1)C(=O)OC(C)(C)C ZINC000822417267 1008613308 /nfs/dbraw/zinc/61/33/08/1008613308.db2.gz JHVHMZJSZZZFFV-UHFFFAOYSA-N 1 2 354.410 2.681 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)C2CC2)CCCC1 ZINC001110214465 1008771844 /nfs/dbraw/zinc/77/18/44/1008771844.db2.gz JEIKYSCZGJVABG-YSHGAJCASA-N 1 2 373.541 2.759 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)C2CC2)CCCC1 ZINC001110214465 1008771858 /nfs/dbraw/zinc/77/18/58/1008771858.db2.gz JEIKYSCZGJVABG-YSHGAJCASA-N 1 2 373.541 2.759 20 30 FFEDLO Cn1nccc1C([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccnn1C ZINC000860079170 1008818950 /nfs/dbraw/zinc/81/89/50/1008818950.db2.gz DUTBNDMJRZQUHT-UHFFFAOYSA-N 1 2 373.382 2.903 20 30 FFEDLO O=C(CCc1[nH]cc[nH+]1)Nc1[nH]c(=S)[nH]c(=O)c1N=Cc1ccccc1 ZINC001177992697 1008835451 /nfs/dbraw/zinc/83/54/51/1008835451.db2.gz CAEUJCOATFTMBB-KEBDBYFISA-N 1 2 368.422 2.516 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2coc(-c3cccs3)n2)C[C@H]1C ZINC001206585978 1032353943 /nfs/dbraw/zinc/35/39/43/1032353943.db2.gz JJMZUAXPZYVTFV-UKRRQHHQSA-N 1 2 361.467 2.542 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2coc(-c3cccs3)n2)C[C@H]1C ZINC001206585978 1032353950 /nfs/dbraw/zinc/35/39/50/1032353950.db2.gz JJMZUAXPZYVTFV-UKRRQHHQSA-N 1 2 361.467 2.542 20 30 FFEDLO CN1CC[NH+](Cc2cccc(NC(=O)c3cc(C#N)ccc3F)c2)CC1 ZINC000823559151 1009129169 /nfs/dbraw/zinc/12/91/69/1009129169.db2.gz DDWMJPNBTNUQBN-UHFFFAOYSA-N 1 2 352.413 2.697 20 30 FFEDLO N#CCOc1cccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC001136763860 1009174635 /nfs/dbraw/zinc/17/46/35/1009174635.db2.gz INHOUFNVAPXXIC-UHFFFAOYSA-N 1 2 360.417 2.693 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cc(C)[nH+]c(CC)n2)CCC1 ZINC001092888728 1009346672 /nfs/dbraw/zinc/34/66/72/1009346672.db2.gz NCHOPPDPKDMSBH-IKGGRYGDSA-N 1 2 352.482 2.767 20 30 FFEDLO C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001179582056 1009380608 /nfs/dbraw/zinc/38/06/08/1009380608.db2.gz NGARHNQNTCUJEL-INIZCTEOSA-N 1 2 354.410 2.727 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cc(CC)[nH+]c(C)n2)CCC1 ZINC001093022687 1009632701 /nfs/dbraw/zinc/63/27/01/1009632701.db2.gz ZKETVPLXQDSPKR-KURKYZTESA-N 1 2 352.482 2.767 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1C#N)n1cc[nH+]c1 ZINC001093053390 1009686648 /nfs/dbraw/zinc/68/66/48/1009686648.db2.gz XNPPQFPYOXXAHL-CHWQCYJSSA-N 1 2 367.428 2.771 20 30 FFEDLO Cc1cc(NCCNC(=O)c2ccccc2OCC#N)nc(C(C)C)[nH+]1 ZINC000862860285 1010019720 /nfs/dbraw/zinc/01/97/20/1010019720.db2.gz VWKMHULHLYFMAA-UHFFFAOYSA-N 1 2 353.426 2.653 20 30 FFEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C)c3)CC2)C1 ZINC001093583368 1010348396 /nfs/dbraw/zinc/34/83/96/1010348396.db2.gz PAWUODQQENPVBI-LEWJYISDSA-N 1 2 354.494 2.976 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(c3ccccn3)CC1)C2 ZINC001095410503 1010461827 /nfs/dbraw/zinc/46/18/27/1010461827.db2.gz ILPYZJFDHXKOTL-AABGKKOBSA-N 1 2 372.472 2.907 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(c3ccccn3)CC1)C2 ZINC001095410503 1010461835 /nfs/dbraw/zinc/46/18/35/1010461835.db2.gz ILPYZJFDHXKOTL-AABGKKOBSA-N 1 2 372.472 2.907 20 30 FFEDLO N#Cc1c[nH]c2cc(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)ccc12 ZINC000864614090 1010528694 /nfs/dbraw/zinc/52/86/94/1010528694.db2.gz POCLNTDUXNQGLZ-LJQANCHMSA-N 1 2 374.444 2.670 20 30 FFEDLO N#Cc1c[nH]c2cc(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)ccc12 ZINC000864614090 1010528698 /nfs/dbraw/zinc/52/86/98/1010528698.db2.gz POCLNTDUXNQGLZ-LJQANCHMSA-N 1 2 374.444 2.670 20 30 FFEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1=S ZINC000794709800 1010563056 /nfs/dbraw/zinc/56/30/56/1010563056.db2.gz FMYSVURTBUZDIF-LJQANCHMSA-N 1 2 371.510 2.730 20 30 FFEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c1=S ZINC000794709800 1010563063 /nfs/dbraw/zinc/56/30/63/1010563063.db2.gz FMYSVURTBUZDIF-LJQANCHMSA-N 1 2 371.510 2.730 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(C)c3ccccc3n2)C[C@H]1C ZINC001206912400 1032494531 /nfs/dbraw/zinc/49/45/31/1032494531.db2.gz JXJDOKCSINLSAC-DNVCBOLYSA-N 1 2 350.466 2.678 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nc(C)c3ccccc3n2)C[C@H]1C ZINC001206912400 1032494539 /nfs/dbraw/zinc/49/45/39/1032494539.db2.gz JXJDOKCSINLSAC-DNVCBOLYSA-N 1 2 350.466 2.678 20 30 FFEDLO C=C(C)COc1cc(C[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)ccc1OC ZINC000865868163 1010878631 /nfs/dbraw/zinc/87/86/31/1010878631.db2.gz XCYVBLHEMJEFQT-UHFFFAOYSA-N 1 2 371.437 2.508 20 30 FFEDLO N#C[C@H](C(=O)C[NH+]1CCC(C2CC2)CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000794894341 1010927216 /nfs/dbraw/zinc/92/72/16/1010927216.db2.gz WZILZOFODLTRPU-MRXNPFEDSA-N 1 2 350.422 2.634 20 30 FFEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)C3(C#N)CC4(CC4)C3)CC2)cc1 ZINC000866094859 1010927634 /nfs/dbraw/zinc/92/76/34/1010927634.db2.gz NXBBUNVTSCOPDW-UHFFFAOYSA-N 1 2 352.482 2.922 20 30 FFEDLO COc1ccc(C[C@@](C)(O)C[NH2+][C@H](C)c2cccc(C#N)c2O)cc1OC ZINC000866361157 1010984061 /nfs/dbraw/zinc/98/40/61/1010984061.db2.gz KECMHEALVNYTSJ-SPLOXXLWSA-N 1 2 370.449 2.925 20 30 FFEDLO O=C(c1ccccc1)N1CCC[C@@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001171887208 1011519951 /nfs/dbraw/zinc/51/99/51/1011519951.db2.gz GTGSBNGAFDRZCU-MSOLQXFVSA-N 1 2 356.491 2.955 20 30 FFEDLO O=C(c1ccccc1)N1CCC[C@@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001171887208 1011519964 /nfs/dbraw/zinc/51/99/64/1011519964.db2.gz GTGSBNGAFDRZCU-MSOLQXFVSA-N 1 2 356.491 2.955 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3csc(-c4ccccc4)n3)C2)OCC1=O ZINC001275059257 1011865073 /nfs/dbraw/zinc/86/50/73/1011865073.db2.gz HSYIWKDXDWVIKM-FQEVSTJZSA-N 1 2 369.490 2.799 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3csc(-c4ccccc4)n3)C2)OCC1=O ZINC001275059257 1011865084 /nfs/dbraw/zinc/86/50/84/1011865084.db2.gz HSYIWKDXDWVIKM-FQEVSTJZSA-N 1 2 369.490 2.799 20 30 FFEDLO C=CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3nc(C(F)(F)F)cs3)C2)C1=O ZINC001275206088 1012083371 /nfs/dbraw/zinc/08/33/71/1012083371.db2.gz CQTSAHSCESCHRM-HNNXBMFYSA-N 1 2 373.400 2.689 20 30 FFEDLO C=CCN1C(=O)C[C@]2(CCC[N@H+](Cc3nc(C(F)(F)F)cs3)C2)C1=O ZINC001275206088 1012083386 /nfs/dbraw/zinc/08/33/86/1012083386.db2.gz CQTSAHSCESCHRM-HNNXBMFYSA-N 1 2 373.400 2.689 20 30 FFEDLO C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001275228592 1012108946 /nfs/dbraw/zinc/10/89/46/1012108946.db2.gz DLFMEZFSJOFFRP-IBGZPJMESA-N 1 2 364.392 2.588 20 30 FFEDLO C=C(C)CN1C(=O)C[C@]2(CCC[N@@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001275228592 1012108956 /nfs/dbraw/zinc/10/89/56/1012108956.db2.gz DLFMEZFSJOFFRP-IBGZPJMESA-N 1 2 364.392 2.588 20 30 FFEDLO COCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(C#N)ccc2Cl)C1=O ZINC001275234876 1012117626 /nfs/dbraw/zinc/11/76/26/1012117626.db2.gz UBVCGVGZUXQKJH-LJQANCHMSA-N 1 2 361.873 2.815 20 30 FFEDLO COCCCN1CC[C@]2(CCC[N@H+]2Cc2cc(C#N)ccc2Cl)C1=O ZINC001275234876 1012117637 /nfs/dbraw/zinc/11/76/37/1012117637.db2.gz UBVCGVGZUXQKJH-LJQANCHMSA-N 1 2 361.873 2.815 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(O)cc(Cl)c1)C2 ZINC001275295222 1012228099 /nfs/dbraw/zinc/22/80/99/1012228099.db2.gz VASBMFMRAYFYNL-LJQANCHMSA-N 1 2 364.873 2.673 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(O)cc(Cl)c1)C2 ZINC001275295222 1012228110 /nfs/dbraw/zinc/22/81/10/1012228110.db2.gz VASBMFMRAYFYNL-LJQANCHMSA-N 1 2 364.873 2.673 20 30 FFEDLO CCCCc1ncc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCCC#N)CC2)[nH]1 ZINC001275473492 1012508039 /nfs/dbraw/zinc/50/80/39/1012508039.db2.gz ZYGNJAHPLUPUGS-QGZVFWFLSA-N 1 2 357.502 2.774 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)no1 ZINC001095147980 1012556099 /nfs/dbraw/zinc/55/60/99/1012556099.db2.gz SLSUNWBKOPZRBC-HFTRVMKXSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)no1 ZINC001095147980 1012556102 /nfs/dbraw/zinc/55/61/02/1012556102.db2.gz SLSUNWBKOPZRBC-HFTRVMKXSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)n1 ZINC001095186654 1012670684 /nfs/dbraw/zinc/67/06/84/1012670684.db2.gz NBLNHJNZUPKZEH-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)n1 ZINC001095186654 1012670692 /nfs/dbraw/zinc/67/06/92/1012670692.db2.gz NBLNHJNZUPKZEH-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)c1ccccc1O ZINC001095188831 1012675453 /nfs/dbraw/zinc/67/54/53/1012675453.db2.gz PJJGLAIAKUYJHR-HOJAQTOUSA-N 1 2 364.420 2.918 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)c1ccccc1O ZINC001095188831 1012675464 /nfs/dbraw/zinc/67/54/64/1012675464.db2.gz PJJGLAIAKUYJHR-HOJAQTOUSA-N 1 2 364.420 2.918 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncs1)C2 ZINC001095216597 1012726789 /nfs/dbraw/zinc/72/67/89/1012726789.db2.gz RVLZZYCMRXRDEC-PMPSAXMXSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncs1)C2 ZINC001095216597 1012726804 /nfs/dbraw/zinc/72/68/04/1012726804.db2.gz RVLZZYCMRXRDEC-PMPSAXMXSA-N 1 2 368.462 2.559 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1cc(-c2ccccc2)on1 ZINC001275659438 1012784362 /nfs/dbraw/zinc/78/43/62/1012784362.db2.gz UUJCUBRQGSDAFZ-LZQZEXGQSA-N 1 2 369.465 2.869 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1cc(-c2ccccc2)on1 ZINC001275659438 1012784376 /nfs/dbraw/zinc/78/43/76/1012784376.db2.gz UUJCUBRQGSDAFZ-LZQZEXGQSA-N 1 2 369.465 2.869 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)o1 ZINC001095266974 1013022290 /nfs/dbraw/zinc/02/22/90/1013022290.db2.gz PAMOHSUFLLQWRK-SQNIBIBYSA-N 1 2 350.422 2.698 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)o1 ZINC001095266974 1013022307 /nfs/dbraw/zinc/02/23/07/1013022307.db2.gz PAMOHSUFLLQWRK-SQNIBIBYSA-N 1 2 350.422 2.698 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc3c1cccc3OC)C2 ZINC001097147647 1017103253 /nfs/dbraw/zinc/10/32/53/1017103253.db2.gz HPQHMGGHIYYGCW-BNOWGMLFSA-N 1 2 360.845 2.659 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc3c1cccc3OC)C2 ZINC001097147647 1017103259 /nfs/dbraw/zinc/10/32/59/1017103259.db2.gz HPQHMGGHIYYGCW-BNOWGMLFSA-N 1 2 360.845 2.659 20 30 FFEDLO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)c(C2CC2)n1 ZINC001097151236 1017109116 /nfs/dbraw/zinc/10/91/16/1017109116.db2.gz GTTUDEVDKLLGNS-NRSPTQNISA-N 1 2 374.488 2.684 20 30 FFEDLO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)c(C2CC2)n1 ZINC001097151236 1017109122 /nfs/dbraw/zinc/10/91/22/1017109122.db2.gz GTTUDEVDKLLGNS-NRSPTQNISA-N 1 2 374.488 2.684 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH]ccc-3n1)C2 ZINC001097338462 1017368299 /nfs/dbraw/zinc/36/82/99/1017368299.db2.gz ORWXXRZUFPQQBB-QFUCXCTJSA-N 1 2 371.444 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH]ccc-3n1)C2 ZINC001097338462 1017368312 /nfs/dbraw/zinc/36/83/12/1017368312.db2.gz ORWXXRZUFPQQBB-QFUCXCTJSA-N 1 2 371.444 2.970 20 30 FFEDLO N#Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001097338462 1017368325 /nfs/dbraw/zinc/36/83/25/1017368325.db2.gz ORWXXRZUFPQQBB-QFUCXCTJSA-N 1 2 371.444 2.970 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(CC)c1ccccc1 ZINC001110899427 1017626011 /nfs/dbraw/zinc/62/60/11/1017626011.db2.gz BQDIFQBWRJXNRT-QRVBRYPASA-N 1 2 369.509 2.973 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(CC)c1ccccc1 ZINC001110899427 1017626016 /nfs/dbraw/zinc/62/60/16/1017626016.db2.gz BQDIFQBWRJXNRT-QRVBRYPASA-N 1 2 369.509 2.973 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1N(C)C(C)=O)C2 ZINC001097611148 1017697154 /nfs/dbraw/zinc/69/71/54/1017697154.db2.gz WBZSXZIVXUQNSQ-KYJSFNMBSA-N 1 2 361.873 2.757 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1N(C)C(C)=O)C2 ZINC001097611148 1017697158 /nfs/dbraw/zinc/69/71/58/1017697158.db2.gz WBZSXZIVXUQNSQ-KYJSFNMBSA-N 1 2 361.873 2.757 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)cs1 ZINC001097709608 1017830174 /nfs/dbraw/zinc/83/01/74/1017830174.db2.gz FFUUDTDQXZEHAW-XFJVYGCCSA-N 1 2 358.492 2.920 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)cs1 ZINC001097709608 1017830188 /nfs/dbraw/zinc/83/01/88/1017830188.db2.gz FFUUDTDQXZEHAW-XFJVYGCCSA-N 1 2 358.492 2.920 20 30 FFEDLO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000926277236 1018073206 /nfs/dbraw/zinc/07/32/06/1018073206.db2.gz XQCHZRQFNUBGHJ-SJORKVTESA-N 1 2 350.422 2.623 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2nccc(C)n2)C1 ZINC001052741112 1018078528 /nfs/dbraw/zinc/07/85/28/1018078528.db2.gz DHTJKCWILZBPHH-HZPDHXFCSA-N 1 2 368.485 2.527 20 30 FFEDLO CC[C@@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cccc(C#N)c1O ZINC000926715304 1018224861 /nfs/dbraw/zinc/22/48/61/1018224861.db2.gz LPXFMIYJOXXJFS-GUDVDZBRSA-N 1 2 355.482 2.948 20 30 FFEDLO Cc1ccc(CNC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1C#N ZINC000926855003 1018270236 /nfs/dbraw/zinc/27/02/36/1018270236.db2.gz GFYLAFDQKMFGMQ-KRWDZBQOSA-N 1 2 363.465 2.850 20 30 FFEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1)O2 ZINC001053610468 1018385109 /nfs/dbraw/zinc/38/51/09/1018385109.db2.gz QRKBPQKLYQCXAX-AQNXPRMDSA-N 1 2 370.493 2.690 20 30 FFEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)O2 ZINC001053639425 1018394427 /nfs/dbraw/zinc/39/44/27/1018394427.db2.gz PLEGUMFQTJYRRP-BHYGNILZSA-N 1 2 362.420 2.604 20 30 FFEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)O2 ZINC001053700613 1018416827 /nfs/dbraw/zinc/41/68/27/1018416827.db2.gz YDSUFHWWESWNCP-VNQPRFMTSA-N 1 2 362.420 2.604 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1C ZINC001110925098 1018563773 /nfs/dbraw/zinc/56/37/73/1018563773.db2.gz ITWJWLPQNYSVOI-RLLQIKCJSA-N 1 2 367.493 2.849 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1C ZINC001110925098 1018563780 /nfs/dbraw/zinc/56/37/80/1018563780.db2.gz ITWJWLPQNYSVOI-RLLQIKCJSA-N 1 2 367.493 2.849 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cccc(C)c1 ZINC001110925280 1018566741 /nfs/dbraw/zinc/56/67/41/1018566741.db2.gz SCRLZNONBIQJIC-AQNXPRMDSA-N 1 2 367.493 2.849 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cccc(C)c1 ZINC001110925280 1018566752 /nfs/dbraw/zinc/56/67/52/1018566752.db2.gz SCRLZNONBIQJIC-AQNXPRMDSA-N 1 2 367.493 2.849 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N[C@@H](C)CC)C[C@H]32)CCCC1 ZINC001222142819 1032785417 /nfs/dbraw/zinc/78/54/17/1032785417.db2.gz SAQYCQCKOJRTSY-RCCFBDPRSA-N 1 2 361.530 2.570 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](CC(=O)N[C@@H](C)CC)C[C@H]32)CCCC1 ZINC001222142819 1032785426 /nfs/dbraw/zinc/78/54/26/1032785426.db2.gz SAQYCQCKOJRTSY-RCCFBDPRSA-N 1 2 361.530 2.570 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001096138651 1018788430 /nfs/dbraw/zinc/78/84/30/1018788430.db2.gz XQOUPEXSELJBEF-ORZNMBHWSA-N 1 2 373.497 2.884 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001096138651 1018788446 /nfs/dbraw/zinc/78/84/46/1018788446.db2.gz XQOUPEXSELJBEF-ORZNMBHWSA-N 1 2 373.497 2.884 20 30 FFEDLO N#Cc1c(F)cccc1N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001047078767 1018919756 /nfs/dbraw/zinc/91/97/56/1018919756.db2.gz XEXCKAUYPGTPDK-AAVRWANBSA-N 1 2 353.401 2.531 20 30 FFEDLO N#Cc1c(F)cccc1N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001047078767 1018919762 /nfs/dbraw/zinc/91/97/62/1018919762.db2.gz XEXCKAUYPGTPDK-AAVRWANBSA-N 1 2 353.401 2.531 20 30 FFEDLO Cc1cc(N[C@@H]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)nc(C2CC2)[nH+]1 ZINC001047239030 1019052683 /nfs/dbraw/zinc/05/26/83/1019052683.db2.gz JUZQLUAKOYOIDM-XJKSGUPXSA-N 1 2 364.453 2.873 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001042641387 1019089797 /nfs/dbraw/zinc/08/97/97/1019089797.db2.gz ZBMOEOZHWNVYSR-RHSMWYFYSA-N 1 2 352.438 2.605 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000801580215 1019138027 /nfs/dbraw/zinc/13/80/27/1019138027.db2.gz AXCPTULRNZUWEM-IRLDBZIGSA-N 1 2 364.445 2.798 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000801580215 1019138033 /nfs/dbraw/zinc/13/80/33/1019138033.db2.gz AXCPTULRNZUWEM-IRLDBZIGSA-N 1 2 364.445 2.798 20 30 FFEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001098052900 1019213350 /nfs/dbraw/zinc/21/33/50/1019213350.db2.gz QVZRZOSUYPFVKT-NXHRZFHOSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001098052900 1019213357 /nfs/dbraw/zinc/21/33/57/1019213357.db2.gz QVZRZOSUYPFVKT-NXHRZFHOSA-N 1 2 367.428 2.573 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1N(c1cc(C)[nH+]c(CC)n1)CC2 ZINC001069289113 1019410928 /nfs/dbraw/zinc/41/09/28/1019410928.db2.gz VUIWPNBIQCGPHD-MXTNKPTQSA-N 1 2 370.497 2.556 20 30 FFEDLO COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)o1 ZINC001098095360 1019466365 /nfs/dbraw/zinc/46/63/65/1019466365.db2.gz MSWVCQWKPYBEQY-DFBGVHRSSA-N 1 2 357.435 2.757 20 30 FFEDLO COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)o1 ZINC001098095360 1019466376 /nfs/dbraw/zinc/46/63/76/1019466376.db2.gz MSWVCQWKPYBEQY-DFBGVHRSSA-N 1 2 357.435 2.757 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)c2ccccc2)C1 ZINC001095982532 1019693812 /nfs/dbraw/zinc/69/38/12/1019693812.db2.gz DTFVFSXVAMHQHS-QYZOEREBSA-N 1 2 367.493 2.727 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)c2ccccc2)C1 ZINC001095982532 1019693819 /nfs/dbraw/zinc/69/38/19/1019693819.db2.gz DTFVFSXVAMHQHS-QYZOEREBSA-N 1 2 367.493 2.727 20 30 FFEDLO C=CC[C@]1(C(=O)O[C@@H]2CC[N@H+](CCF)C2)CCCN1C(=O)OC(C)(C)C ZINC000802236721 1019917863 /nfs/dbraw/zinc/91/78/63/1019917863.db2.gz QLBVGOISCJIFFC-DNVCBOLYSA-N 1 2 370.465 2.919 20 30 FFEDLO C=CC[C@]1(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)CCCN1C(=O)OC(C)(C)C ZINC000802236721 1019917869 /nfs/dbraw/zinc/91/78/69/1019917869.db2.gz QLBVGOISCJIFFC-DNVCBOLYSA-N 1 2 370.465 2.919 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)[nH]1 ZINC001096027980 1019982854 /nfs/dbraw/zinc/98/28/54/1019982854.db2.gz ADPAIJPVBUGPIE-NJAFHUGGSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)[nH]1 ZINC001096027980 1019982858 /nfs/dbraw/zinc/98/28/58/1019982858.db2.gz ADPAIJPVBUGPIE-NJAFHUGGSA-N 1 2 367.428 2.573 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)CCC)CCC1 ZINC001110986978 1019997677 /nfs/dbraw/zinc/99/76/77/1019997677.db2.gz DOAUYFVBUHYTHR-TVFCKZIOSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)CCC)CCC1 ZINC001110986978 1019997684 /nfs/dbraw/zinc/99/76/84/1019997684.db2.gz DOAUYFVBUHYTHR-TVFCKZIOSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncs1 ZINC001096307020 1020006987 /nfs/dbraw/zinc/00/69/87/1020006987.db2.gz HVWZIPMLMXUYDW-KBMXLJTQSA-N 1 2 370.478 2.638 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncs1 ZINC001096307020 1020006993 /nfs/dbraw/zinc/00/69/93/1020006993.db2.gz HVWZIPMLMXUYDW-KBMXLJTQSA-N 1 2 370.478 2.638 20 30 FFEDLO CCCC[C@@H](C)C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001217784557 1032872876 /nfs/dbraw/zinc/87/28/76/1032872876.db2.gz SUTSBZRQDCKXLL-HLAWJBBLSA-N 1 2 354.494 2.776 20 30 FFEDLO CCCC[C@@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001217784557 1032872888 /nfs/dbraw/zinc/87/28/88/1032872888.db2.gz SUTSBZRQDCKXLL-HLAWJBBLSA-N 1 2 354.494 2.776 20 30 FFEDLO C=CCC1(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCC1 ZINC001070967347 1020123480 /nfs/dbraw/zinc/12/34/80/1020123480.db2.gz JDPBDGBRWUORPU-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC1(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCC1 ZINC001070967347 1020123486 /nfs/dbraw/zinc/12/34/86/1020123486.db2.gz JDPBDGBRWUORPU-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)nc1 ZINC001096372126 1020257488 /nfs/dbraw/zinc/25/74/88/1020257488.db2.gz GEHQGTMIVRDNJG-QMMLZNLJSA-N 1 2 374.419 2.609 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)nc1 ZINC001096372126 1020257493 /nfs/dbraw/zinc/25/74/93/1020257493.db2.gz GEHQGTMIVRDNJG-QMMLZNLJSA-N 1 2 374.419 2.609 20 30 FFEDLO COc1ccc(C[NH+]2CCC(Oc3nc(C)cc(OC)n3)CC2)c(C#N)c1 ZINC001137706860 1032895557 /nfs/dbraw/zinc/89/55/57/1032895557.db2.gz UQBLNQYZLJPBQT-UHFFFAOYSA-N 1 2 368.437 2.717 20 30 FFEDLO COC(=O)c1c(F)cccc1N[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000800818778 1020568268 /nfs/dbraw/zinc/56/82/68/1020568268.db2.gz OJVXDSKTPQRBFT-UHFFFAOYSA-N 1 2 357.385 2.895 20 30 FFEDLO C=C(C)C[N@@H+]1CCn2c(nnc2C2CCN(C(=O)[C@@H]3C[C@H]3CCC)CC2)C1 ZINC001074111456 1020635703 /nfs/dbraw/zinc/63/57/03/1020635703.db2.gz RZCGFXZZPKHBRB-QZTJIDSGSA-N 1 2 371.529 2.812 20 30 FFEDLO C=C(C)C[N@H+]1CCn2c(nnc2C2CCN(C(=O)[C@@H]3C[C@H]3CCC)CC2)C1 ZINC001074111456 1020635706 /nfs/dbraw/zinc/63/57/06/1020635706.db2.gz RZCGFXZZPKHBRB-QZTJIDSGSA-N 1 2 371.529 2.812 20 30 FFEDLO Cc1nc([C@H]2CC[N@H+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)C2)no1 ZINC000931951423 1020642417 /nfs/dbraw/zinc/64/24/17/1020642417.db2.gz ZKYCKHAFIMJQRC-KRWDZBQOSA-N 1 2 367.453 2.731 20 30 FFEDLO Cc1nc([C@H]2CC[N@@H+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)C2)no1 ZINC000931951423 1020642422 /nfs/dbraw/zinc/64/24/22/1020642422.db2.gz ZKYCKHAFIMJQRC-KRWDZBQOSA-N 1 2 367.453 2.731 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn3ccccc3n1)C2 ZINC001096481534 1020759654 /nfs/dbraw/zinc/75/96/54/1020759654.db2.gz JRMHTYWRVFBILU-HBFSDRIKSA-N 1 2 371.444 2.741 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn3ccccc3n1)C2 ZINC001096481534 1020759661 /nfs/dbraw/zinc/75/96/61/1020759661.db2.gz JRMHTYWRVFBILU-HBFSDRIKSA-N 1 2 371.444 2.741 20 30 FFEDLO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000932692826 1020873356 /nfs/dbraw/zinc/87/33/56/1020873356.db2.gz FLJBXZKHEDRSSV-LJQANCHMSA-N 1 2 363.433 2.549 20 30 FFEDLO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000932692826 1020873367 /nfs/dbraw/zinc/87/33/67/1020873367.db2.gz FLJBXZKHEDRSSV-LJQANCHMSA-N 1 2 363.433 2.549 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000932695949 1020874888 /nfs/dbraw/zinc/87/48/88/1020874888.db2.gz QSAXDDNIDJSAHW-IBGZPJMESA-N 1 2 363.433 2.549 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000932695949 1020874896 /nfs/dbraw/zinc/87/48/96/1020874896.db2.gz QSAXDDNIDJSAHW-IBGZPJMESA-N 1 2 363.433 2.549 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000932694962 1020874908 /nfs/dbraw/zinc/87/49/08/1020874908.db2.gz HDLYEOKHZNPVRR-IBGZPJMESA-N 1 2 363.433 2.549 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000932694962 1020874916 /nfs/dbraw/zinc/87/49/16/1020874916.db2.gz HDLYEOKHZNPVRR-IBGZPJMESA-N 1 2 363.433 2.549 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N(C)C(C)=O)cc1)C2 ZINC001098479309 1020947465 /nfs/dbraw/zinc/94/74/65/1020947465.db2.gz AZANJQSWQNTGEQ-KURKYZTESA-N 1 2 361.873 2.757 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N(C)C(C)=O)cc1)C2 ZINC001098479309 1020947469 /nfs/dbraw/zinc/94/74/69/1020947469.db2.gz AZANJQSWQNTGEQ-KURKYZTESA-N 1 2 361.873 2.757 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@H+](C[C@H](O)COCc3ccccc3F)CCO2)cc1 ZINC000933624476 1021050729 /nfs/dbraw/zinc/05/07/29/1021050729.db2.gz ISNHCEIPQMNPPP-PZJWPPBQSA-N 1 2 370.424 2.648 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@@H+](C[C@H](O)COCc3ccccc3F)CCO2)cc1 ZINC000933624476 1021050735 /nfs/dbraw/zinc/05/07/35/1021050735.db2.gz ISNHCEIPQMNPPP-PZJWPPBQSA-N 1 2 370.424 2.648 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@H+](C[C@H](O)COCc3ccccc3F)CCO2)cc1 ZINC000933624474 1021051053 /nfs/dbraw/zinc/05/10/53/1021051053.db2.gz ISNHCEIPQMNPPP-FPOVZHCZSA-N 1 2 370.424 2.648 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@@H+](C[C@H](O)COCc3ccccc3F)CCO2)cc1 ZINC000933624474 1021051061 /nfs/dbraw/zinc/05/10/61/1021051061.db2.gz ISNHCEIPQMNPPP-FPOVZHCZSA-N 1 2 370.424 2.648 20 30 FFEDLO C[C@H](Cc1ccncc1)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000749844266 1021053358 /nfs/dbraw/zinc/05/33/58/1021053358.db2.gz IEFZOUIVYXHUOR-CQSZACIVSA-N 1 2 361.449 2.672 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2cccc(OCC#N)c2)C1 ZINC001116296364 1021158042 /nfs/dbraw/zinc/15/80/42/1021158042.db2.gz SJEUMSHIQNTQJR-HNNXBMFYSA-N 1 2 353.426 2.809 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCOC[C@@H]1CC1CCOCC1)c1ccccc1 ZINC000934632057 1021308268 /nfs/dbraw/zinc/30/82/68/1021308268.db2.gz BQIDCHGPPLVACU-FCHUYYIVSA-N 1 2 370.493 2.945 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCOC[C@@H]1CC1CCOCC1)c1ccccc1 ZINC000934632057 1021308286 /nfs/dbraw/zinc/30/82/86/1021308286.db2.gz BQIDCHGPPLVACU-FCHUYYIVSA-N 1 2 370.493 2.945 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)nn1 ZINC000934661582 1021330194 /nfs/dbraw/zinc/33/01/94/1021330194.db2.gz ROWNELSCEKRLEU-HNAYVOBHSA-N 1 2 361.490 2.733 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)nn1 ZINC000934661582 1021330212 /nfs/dbraw/zinc/33/02/12/1021330212.db2.gz ROWNELSCEKRLEU-HNAYVOBHSA-N 1 2 361.490 2.733 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cn(CC)nn2)C3)CC1 ZINC001099013028 1021591908 /nfs/dbraw/zinc/59/19/08/1021591908.db2.gz RQSPGVBCVMHLQZ-PXNSSMCTSA-N 1 2 357.502 2.515 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cn(CC)nn2)C3)CC1 ZINC001099013028 1021591916 /nfs/dbraw/zinc/59/19/16/1021591916.db2.gz RQSPGVBCVMHLQZ-PXNSSMCTSA-N 1 2 357.502 2.515 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)COCCCC)C[C@@H]21 ZINC001222488750 1033006472 /nfs/dbraw/zinc/00/64/72/1033006472.db2.gz BYIWLOJMTMIGEY-CABCVRRESA-N 1 2 359.308 2.635 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)COCCCC)C[C@@H]21 ZINC001222488750 1033006487 /nfs/dbraw/zinc/00/64/87/1033006487.db2.gz BYIWLOJMTMIGEY-CABCVRRESA-N 1 2 359.308 2.635 20 30 FFEDLO COc1ccc(-c2cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc2OC)cc1 ZINC001118090641 1022061009 /nfs/dbraw/zinc/06/10/09/1022061009.db2.gz MUMPEEBRGHTOHF-SFHVURJKSA-N 1 2 369.465 2.989 20 30 FFEDLO COc1ccc(-c2cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc2OC)cc1 ZINC001118090641 1022061025 /nfs/dbraw/zinc/06/10/25/1022061025.db2.gz MUMPEEBRGHTOHF-SFHVURJKSA-N 1 2 369.465 2.989 20 30 FFEDLO N#Cc1ccc(F)cc1C[NH2+][C@@H]1CN(C(=O)C2CCC2)C[C@H]1C(F)(F)F ZINC001099198470 1022062216 /nfs/dbraw/zinc/06/22/16/1022062216.db2.gz AWVZIJQRBBRRHU-HZPDHXFCSA-N 1 2 369.362 2.976 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@@H+](CN2CC3(CCCC3)OC2=O)CC1 ZINC000778568987 1022114159 /nfs/dbraw/zinc/11/41/59/1022114159.db2.gz SFLRASYBARVHHY-UHFFFAOYSA-N 1 2 354.454 2.793 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@H+](CN2CC3(CCCC3)OC2=O)CC1 ZINC000778568987 1022114161 /nfs/dbraw/zinc/11/41/61/1022114161.db2.gz SFLRASYBARVHHY-UHFFFAOYSA-N 1 2 354.454 2.793 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001099302332 1022259062 /nfs/dbraw/zinc/25/90/62/1022259062.db2.gz QKKGUJASCMDVPS-FMKPAKJESA-N 1 2 358.408 2.501 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cccc2)C3)c(F)c1 ZINC001111184253 1022275212 /nfs/dbraw/zinc/27/52/12/1022275212.db2.gz WBENYEUPAZLDNA-RLLQIKCJSA-N 1 2 366.440 2.811 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cccc2)C3)c(F)c1 ZINC001111184253 1022275222 /nfs/dbraw/zinc/27/52/22/1022275222.db2.gz WBENYEUPAZLDNA-RLLQIKCJSA-N 1 2 366.440 2.811 20 30 FFEDLO C=CCc1cc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc(OC)c1OC ZINC000115598818 1022338393 /nfs/dbraw/zinc/33/83/93/1022338393.db2.gz ILVCBIAXPZLFJL-LJQANCHMSA-N 1 2 365.433 2.620 20 30 FFEDLO COC(=O)[C@H]1[NH2+]CC[C@H]1Oc1ccc(C(=O)/C=C/c2ccccc2)cc1 ZINC001218347202 1033116527 /nfs/dbraw/zinc/11/65/27/1033116527.db2.gz PWYVWRZWZQXKRI-JTPPTGOJSA-N 1 2 351.402 2.865 20 30 FFEDLO Cc1ccc(N2CCC[C@H](O[NH+]=C(N)c3ccc4c(c3)CCO4)C2=O)cc1 ZINC000753831040 1023387562 /nfs/dbraw/zinc/38/75/62/1023387562.db2.gz VTUZMJAGKNCNGL-IBGZPJMESA-N 1 2 365.433 2.762 20 30 FFEDLO COc1ccc(C2N=NC(=S)N2N=C2C[C@H](C)[N@@H+](C3CC3)C2)c(OC)c1 ZINC000753955483 1023405972 /nfs/dbraw/zinc/40/59/72/1023405972.db2.gz MZYZEPXANNDNJF-NSHDSACASA-N 1 2 373.482 2.712 20 30 FFEDLO COc1ccc(C2N=NC(=S)N2N=C2C[C@H](C)[N@H+](C3CC3)C2)c(OC)c1 ZINC000753955483 1023405974 /nfs/dbraw/zinc/40/59/74/1023405974.db2.gz MZYZEPXANNDNJF-NSHDSACASA-N 1 2 373.482 2.712 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCOC[C@@H](C)C2)c1C#N ZINC000754386256 1023463041 /nfs/dbraw/zinc/46/30/41/1023463041.db2.gz NRZHDNXCIMQXHG-HNNXBMFYSA-N 1 2 366.465 2.873 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCOC[C@@H](C)C2)c1C#N ZINC000754386256 1023463044 /nfs/dbraw/zinc/46/30/44/1023463044.db2.gz NRZHDNXCIMQXHG-HNNXBMFYSA-N 1 2 366.465 2.873 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001120831907 1023488419 /nfs/dbraw/zinc/48/84/19/1023488419.db2.gz GXIDAXXKHGKHPA-OIISXLGYSA-N 1 2 358.486 2.902 20 30 FFEDLO C#Cc1ccc(COC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)nc1 ZINC001122993789 1023588163 /nfs/dbraw/zinc/58/81/63/1023588163.db2.gz SHSLFSFDNOGZCL-UHFFFAOYSA-N 1 2 355.463 2.783 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001121533079 1023832287 /nfs/dbraw/zinc/83/22/87/1023832287.db2.gz PFCVZKAUIZWFLY-MRXNPFEDSA-N 1 2 361.534 2.541 20 30 FFEDLO CCCCCCCOc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000779433073 1023840562 /nfs/dbraw/zinc/84/05/62/1023840562.db2.gz PEEASJITFHZJRT-SFHVURJKSA-N 1 2 359.470 2.772 20 30 FFEDLO CCCCCCCOc1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000779433073 1023840568 /nfs/dbraw/zinc/84/05/68/1023840568.db2.gz PEEASJITFHZJRT-SFHVURJKSA-N 1 2 359.470 2.772 20 30 FFEDLO C=CCn1c(N(CC)Cc2ccccc2F)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121609217 1023879224 /nfs/dbraw/zinc/87/92/24/1023879224.db2.gz XUMWOYMYHJAWQR-UZLBHIALSA-N 1 2 373.476 2.541 20 30 FFEDLO C=CCn1c(N(CC)Cc2ccccc2F)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121609217 1023879233 /nfs/dbraw/zinc/87/92/33/1023879233.db2.gz XUMWOYMYHJAWQR-UZLBHIALSA-N 1 2 373.476 2.541 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@H](C2CCCC2)C1 ZINC001121610167 1023880488 /nfs/dbraw/zinc/88/04/88/1023880488.db2.gz QXDPXQXZDUKGBP-BZSNNMDCSA-N 1 2 359.518 2.608 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@H](C2CCCC2)C1 ZINC001121610167 1023880492 /nfs/dbraw/zinc/88/04/92/1023880492.db2.gz QXDPXQXZDUKGBP-BZSNNMDCSA-N 1 2 359.518 2.608 20 30 FFEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 ZINC000758035408 1023909878 /nfs/dbraw/zinc/90/98/78/1023909878.db2.gz LPKNMDCXCKGVTD-HFTRVMKXSA-N 1 2 370.453 2.826 20 30 FFEDLO COCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CCC1 ZINC001111321946 1023924546 /nfs/dbraw/zinc/92/45/46/1023924546.db2.gz LAEWQVOBGWIPOL-AQNXPRMDSA-N 1 2 367.493 2.987 20 30 FFEDLO COCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CCC1 ZINC001111321946 1023924553 /nfs/dbraw/zinc/92/45/53/1023924553.db2.gz LAEWQVOBGWIPOL-AQNXPRMDSA-N 1 2 367.493 2.987 20 30 FFEDLO C=CCn1c(N2Cc3cccc(Cl)c3C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001121710022 1023938986 /nfs/dbraw/zinc/93/89/86/1023938986.db2.gz YBVRZOUDFIZEGI-IFXJQAMLSA-N 1 2 373.888 2.549 20 30 FFEDLO C=CCn1c(N2Cc3cccc(Cl)c3C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121710022 1023938992 /nfs/dbraw/zinc/93/89/92/1023938992.db2.gz YBVRZOUDFIZEGI-IFXJQAMLSA-N 1 2 373.888 2.549 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccns2)CCOCC1 ZINC001111333024 1023959365 /nfs/dbraw/zinc/95/93/65/1023959365.db2.gz WDWSJDHEADVVNJ-OIISXLGYSA-N 1 2 361.511 2.738 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccns2)CCOCC1 ZINC001111333024 1023959376 /nfs/dbraw/zinc/95/93/76/1023959376.db2.gz WDWSJDHEADVVNJ-OIISXLGYSA-N 1 2 361.511 2.738 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)oc2C)CCOCC1 ZINC001111332605 1023961407 /nfs/dbraw/zinc/96/14/07/1023961407.db2.gz HIJQWIRWNOPDNS-LMMKCTJWSA-N 1 2 373.497 2.886 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)oc2C)CCOCC1 ZINC001111332605 1023961423 /nfs/dbraw/zinc/96/14/23/1023961423.db2.gz HIJQWIRWNOPDNS-LMMKCTJWSA-N 1 2 373.497 2.886 20 30 FFEDLO CCC[N@H+](Cn1ccc(C)c(C#N)c1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000758220720 1023973401 /nfs/dbraw/zinc/97/34/01/1023973401.db2.gz RTUYYPDHWRNJMO-MRXNPFEDSA-N 1 2 374.485 2.707 20 30 FFEDLO CCC[N@@H+](Cn1ccc(C)c(C#N)c1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000758220720 1023973413 /nfs/dbraw/zinc/97/34/13/1023973413.db2.gz RTUYYPDHWRNJMO-MRXNPFEDSA-N 1 2 374.485 2.707 20 30 FFEDLO NC(=NOCc1csc(C2CC2)n1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000758418446 1024105280 /nfs/dbraw/zinc/10/52/80/1024105280.db2.gz INOOCWSBYJWXEW-UHFFFAOYSA-N 1 2 372.494 2.690 20 30 FFEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nc(CCC)no4)[C@H]3C2)CCC1 ZINC001222877582 1033186970 /nfs/dbraw/zinc/18/69/70/1033186970.db2.gz XDPNRKNUWDIPAA-SJORKVTESA-N 1 2 370.497 2.639 20 30 FFEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nc(CCC)no4)[C@H]3C2)CCC1 ZINC001222877582 1033186976 /nfs/dbraw/zinc/18/69/76/1033186976.db2.gz XDPNRKNUWDIPAA-SJORKVTESA-N 1 2 370.497 2.639 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3csc(COC)n3)C[C@@]2(C)C1 ZINC001101253353 1024204794 /nfs/dbraw/zinc/20/47/94/1024204794.db2.gz LPPSLDKJFPZUQQ-BEFAXECRSA-N 1 2 363.527 2.926 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](Cc3csc(COC)n3)C[C@@]2(C)C1 ZINC001101253353 1024204806 /nfs/dbraw/zinc/20/48/06/1024204806.db2.gz LPPSLDKJFPZUQQ-BEFAXECRSA-N 1 2 363.527 2.926 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](Cc3nccn3C(F)F)C[C@@]2(C)C1 ZINC001101253157 1024205140 /nfs/dbraw/zinc/20/51/40/1024205140.db2.gz HJHMQTSSZSIASW-KDOFPFPSSA-N 1 2 352.429 2.915 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3nccn3C(F)F)C[C@@]2(C)C1 ZINC001101253157 1024205154 /nfs/dbraw/zinc/20/51/54/1024205154.db2.gz HJHMQTSSZSIASW-KDOFPFPSSA-N 1 2 352.429 2.915 20 30 FFEDLO C#C[C@@H](NC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)C1CCOCC1 ZINC001121987212 1024237446 /nfs/dbraw/zinc/23/74/46/1024237446.db2.gz XRUIFLMCTIELRZ-QZTJIDSGSA-N 1 2 372.513 2.956 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccc(OCC)cc1)C2 ZINC001111357346 1024340902 /nfs/dbraw/zinc/34/09/02/1024340902.db2.gz ADIKYGPNMMZEJO-OLMNPRSZSA-N 1 2 364.873 2.938 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccc(OCC)cc1)C2 ZINC001111357346 1024340915 /nfs/dbraw/zinc/34/09/15/1024340915.db2.gz ADIKYGPNMMZEJO-OLMNPRSZSA-N 1 2 364.873 2.938 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4ncnn4CCC)C[C@@]3(C)C2)CCC1 ZINC001101354018 1024529912 /nfs/dbraw/zinc/52/99/12/1024529912.db2.gz LSKUJWXHIHPRRI-XLIONFOSSA-N 1 2 371.529 2.715 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4ncnn4CCC)C[C@@]3(C)C2)CCC1 ZINC001101354018 1024529919 /nfs/dbraw/zinc/52/99/19/1024529919.db2.gz LSKUJWXHIHPRRI-XLIONFOSSA-N 1 2 371.529 2.715 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@@H+]([C@H](C)c4nnc(C)[nH]4)C[C@@]3(C)C2)CC1 ZINC001101355154 1024535192 /nfs/dbraw/zinc/53/51/92/1024535192.db2.gz QBJLHUKAVAXGEJ-OGWOLHLISA-N 1 2 357.502 2.701 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@H+]([C@H](C)c4nnc(C)[nH]4)C[C@@]3(C)C2)CC1 ZINC001101355154 1024535195 /nfs/dbraw/zinc/53/51/95/1024535195.db2.gz QBJLHUKAVAXGEJ-OGWOLHLISA-N 1 2 357.502 2.701 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4cnn(C)n4)C[C@@]3(C)C2)CCCCC1 ZINC001101470381 1024823426 /nfs/dbraw/zinc/82/34/26/1024823426.db2.gz NIXZQKKYFYXPRB-XLIONFOSSA-N 1 2 371.529 2.622 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4cnn(C)n4)C[C@@]3(C)C2)CCCCC1 ZINC001101470381 1024823441 /nfs/dbraw/zinc/82/34/41/1024823441.db2.gz NIXZQKKYFYXPRB-XLIONFOSSA-N 1 2 371.529 2.622 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sc(C(C)C)nc1C)C2 ZINC001111404955 1025181877 /nfs/dbraw/zinc/18/18/77/1025181877.db2.gz LELRNCCCBISACL-OAGGEKHMSA-N 1 2 361.511 2.560 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sc(C(C)C)nc1C)C2 ZINC001111404955 1025181882 /nfs/dbraw/zinc/18/18/82/1025181882.db2.gz LELRNCCCBISACL-OAGGEKHMSA-N 1 2 361.511 2.560 20 30 FFEDLO C#CC[N@@H+](CC(=O)N1CCN(Cc2ccsc2)CC1)Cc1ccccc1 ZINC000796640357 1025372427 /nfs/dbraw/zinc/37/24/27/1025372427.db2.gz YDHKFZKMBVCOMI-UHFFFAOYSA-N 1 2 367.518 2.528 20 30 FFEDLO C#CC[N@H+](CC(=O)N1CCN(Cc2ccsc2)CC1)Cc1ccccc1 ZINC000796640357 1025372435 /nfs/dbraw/zinc/37/24/35/1025372435.db2.gz YDHKFZKMBVCOMI-UHFFFAOYSA-N 1 2 367.518 2.528 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2ncnn2CC(C)C)C[C@H]1C ZINC001102328832 1025755962 /nfs/dbraw/zinc/75/59/62/1025755962.db2.gz ZBTFIPZIWKOPOU-MBOZVWFJSA-N 1 2 361.534 2.721 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2ncnn2CC(C)C)C[C@H]1C ZINC001102328832 1025755978 /nfs/dbraw/zinc/75/59/78/1025755978.db2.gz ZBTFIPZIWKOPOU-MBOZVWFJSA-N 1 2 361.534 2.721 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2ncnn2CC(C)C)C[C@H]1C ZINC001102328831 1025757461 /nfs/dbraw/zinc/75/74/61/1025757461.db2.gz ZBTFIPZIWKOPOU-HLIPFELVSA-N 1 2 361.534 2.721 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2ncnn2CC(C)C)C[C@H]1C ZINC001102328831 1025757476 /nfs/dbraw/zinc/75/74/76/1025757476.db2.gz ZBTFIPZIWKOPOU-HLIPFELVSA-N 1 2 361.534 2.721 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000839627869 1026766036 /nfs/dbraw/zinc/76/60/36/1026766036.db2.gz HJGPDDWRVLLBNW-QGZVFWFLSA-N 1 2 366.465 2.698 20 30 FFEDLO C#CC[N@@H+](CN1C(=O)C2(CCOCC2)[C@H]1C1CC1)[C@@H]1CCc2ccccc21 ZINC000839963771 1026884965 /nfs/dbraw/zinc/88/49/65/1026884965.db2.gz KIZYMLKORZGSDU-NHCUHLMSSA-N 1 2 364.489 2.984 20 30 FFEDLO C#CC[N@H+](CN1C(=O)C2(CCOCC2)[C@H]1C1CC1)[C@@H]1CCc2ccccc21 ZINC000839963771 1026884975 /nfs/dbraw/zinc/88/49/75/1026884975.db2.gz KIZYMLKORZGSDU-NHCUHLMSSA-N 1 2 364.489 2.984 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N[C@@H](CCC)c2ccccc2)nn1 ZINC000640855518 1026978700 /nfs/dbraw/zinc/97/87/00/1026978700.db2.gz QZWRXSHEELDFNV-LPHOPBHVSA-N 1 2 353.470 2.610 20 30 FFEDLO CC#CC[NH2+]Cc1cn(Cc2nc(-c3ccc(C(C)C)cc3)no2)nn1 ZINC000640857736 1026981213 /nfs/dbraw/zinc/98/12/13/1026981213.db2.gz OGXPEBUPQJAXBU-UHFFFAOYSA-N 1 2 350.426 2.613 20 30 FFEDLO Cc1ncc(C#N)c(N2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)n1 ZINC001158545214 1027057698 /nfs/dbraw/zinc/05/76/98/1027057698.db2.gz HLMQUKZBFHVYJN-INIZCTEOSA-N 1 2 361.371 2.910 20 30 FFEDLO Cc1ncc(C#N)c(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)n1 ZINC001158545214 1027057705 /nfs/dbraw/zinc/05/77/05/1027057705.db2.gz HLMQUKZBFHVYJN-INIZCTEOSA-N 1 2 361.371 2.910 20 30 FFEDLO N#CC1(c2ccccc2F)CCN(c2ccc(Cn3cncn3)c[nH+]2)CC1 ZINC001158892105 1027178340 /nfs/dbraw/zinc/17/83/40/1027178340.db2.gz MGGANYRIBYKXDS-UHFFFAOYSA-N 1 2 362.412 2.922 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(OC)c(OC)c(OC)c2)c1 ZINC000092143688 1027233033 /nfs/dbraw/zinc/23/30/33/1027233033.db2.gz HLSLZOCKVAWPGM-UHFFFAOYSA-N 1 2 368.433 2.764 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(OC)c(OC)c(OC)c2)c1 ZINC000092143688 1027233048 /nfs/dbraw/zinc/23/30/48/1027233048.db2.gz HLSLZOCKVAWPGM-UHFFFAOYSA-N 1 2 368.433 2.764 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC(=O)OCC)c2ccccc21 ZINC001159167604 1027293922 /nfs/dbraw/zinc/29/39/22/1027293922.db2.gz XPZQWGOWIRMENG-APWZRJJASA-N 1 2 354.450 2.558 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC(=O)OCC)c2ccccc21 ZINC001159167604 1027293938 /nfs/dbraw/zinc/29/39/38/1027293938.db2.gz XPZQWGOWIRMENG-APWZRJJASA-N 1 2 354.450 2.558 20 30 FFEDLO O=C(/C=C/c1ccc(F)cc1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC001160788453 1027878055 /nfs/dbraw/zinc/87/80/55/1027878055.db2.gz KNUZAUGQHYFTGW-JXMROGBWSA-N 1 2 363.392 2.969 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(C)cs1 ZINC001153441590 1027881905 /nfs/dbraw/zinc/88/19/05/1027881905.db2.gz DRTQHRSNZKFMMD-OAGGEKHMSA-N 1 2 351.516 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(C)cs1 ZINC001153441590 1027881925 /nfs/dbraw/zinc/88/19/25/1027881925.db2.gz DRTQHRSNZKFMMD-OAGGEKHMSA-N 1 2 351.516 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1=CC[N@H+](Cc2ccon2)CC1 ZINC001161426984 1028167370 /nfs/dbraw/zinc/16/73/70/1028167370.db2.gz DYZGNZHZTTZPOY-OALUTQOASA-N 1 2 359.470 2.684 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](Cc2ccon2)CC1 ZINC001161426984 1028167373 /nfs/dbraw/zinc/16/73/73/1028167373.db2.gz DYZGNZHZTTZPOY-OALUTQOASA-N 1 2 359.470 2.684 20 30 FFEDLO C=C(C)CN(CC)C(=O)COC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000796007881 1028398923 /nfs/dbraw/zinc/39/89/23/1028398923.db2.gz IZSKIORUXUCWIF-UHFFFAOYSA-N 1 2 365.380 2.591 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=C)Br)C2 ZINC001111643051 1029024775 /nfs/dbraw/zinc/02/47/75/1029024775.db2.gz VNSCEFHAYCJPQB-VYDXJSESSA-N 1 2 371.319 2.847 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=C)Br)C2 ZINC001111643051 1029024790 /nfs/dbraw/zinc/02/47/90/1029024790.db2.gz VNSCEFHAYCJPQB-VYDXJSESSA-N 1 2 371.319 2.847 20 30 FFEDLO CCCCc1noc([C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)n1 ZINC001111741612 1029306165 /nfs/dbraw/zinc/30/61/65/1029306165.db2.gz HPXHJFZQCYQFPW-KUDFPVQQSA-N 1 2 370.497 2.857 20 30 FFEDLO CCCCc1noc([C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)n1 ZINC001111741612 1029306180 /nfs/dbraw/zinc/30/61/80/1029306180.db2.gz HPXHJFZQCYQFPW-KUDFPVQQSA-N 1 2 370.497 2.857 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C(F)C(F)(F)F)C2)cc1 ZINC001111756138 1029351635 /nfs/dbraw/zinc/35/16/35/1029351635.db2.gz FCKVMUCSFUBYQV-UXLLHSPISA-N 1 2 369.362 2.929 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C(F)C(F)(F)F)C2)cc1 ZINC001111756138 1029351644 /nfs/dbraw/zinc/35/16/44/1029351644.db2.gz FCKVMUCSFUBYQV-UXLLHSPISA-N 1 2 369.362 2.929 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1C(C)(C)C)C2 ZINC001111764088 1029381849 /nfs/dbraw/zinc/38/18/49/1029381849.db2.gz YJYFVRFZYAGSOC-JXFKEZNVSA-N 1 2 359.518 2.860 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1C(C)(C)C)C2 ZINC001111764088 1029381862 /nfs/dbraw/zinc/38/18/62/1029381862.db2.gz YJYFVRFZYAGSOC-JXFKEZNVSA-N 1 2 359.518 2.860 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C3CCC3)n1C)C2 ZINC001111765022 1029382245 /nfs/dbraw/zinc/38/22/45/1029382245.db2.gz QBEALUMAPXHCRX-UWJYYQICSA-N 1 2 371.529 2.910 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C3CCC3)n1C)C2 ZINC001111765022 1029382254 /nfs/dbraw/zinc/38/22/54/1029382254.db2.gz QBEALUMAPXHCRX-UWJYYQICSA-N 1 2 371.529 2.910 20 30 FFEDLO N#Cc1ccc(-c2cc(C(F)(F)N3CC[NH2+]C[C@H]3C#N)c(Cl)nn2)cc1 ZINC001165184567 1029440053 /nfs/dbraw/zinc/44/00/53/1029440053.db2.gz WZJBYHNWPRRCRY-CYBMUJFWSA-N 1 2 374.782 2.515 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1nnc(CC)[nH]1)C2 ZINC001111834171 1029585077 /nfs/dbraw/zinc/58/50/77/1029585077.db2.gz NFKAVDVJWAKQMG-FIKGOQFSSA-N 1 2 371.529 2.983 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1nnc(CC)[nH]1)C2 ZINC001111834171 1029585086 /nfs/dbraw/zinc/58/50/86/1029585086.db2.gz NFKAVDVJWAKQMG-FIKGOQFSSA-N 1 2 371.529 2.983 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1C(C)(C)C)C2 ZINC001111859249 1029630931 /nfs/dbraw/zinc/63/09/31/1029630931.db2.gz WPYAEQJFVIGKEU-JXFKEZNVSA-N 1 2 359.518 2.860 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1C(C)(C)C)C2 ZINC001111859249 1029630934 /nfs/dbraw/zinc/63/09/34/1029630934.db2.gz WPYAEQJFVIGKEU-JXFKEZNVSA-N 1 2 359.518 2.860 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC001112017531 1029867389 /nfs/dbraw/zinc/86/73/89/1029867389.db2.gz JJLHAFLJCVJQED-IIMJZQEZSA-N 1 2 359.470 2.614 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC001112017531 1029867394 /nfs/dbraw/zinc/86/73/94/1029867394.db2.gz JJLHAFLJCVJQED-IIMJZQEZSA-N 1 2 359.470 2.614 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nccs2)C1 ZINC001112086543 1029973770 /nfs/dbraw/zinc/97/37/70/1029973770.db2.gz GPBMODSQWSEDIR-CHWSQXEVSA-N 1 2 359.417 2.816 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)c2nnc(C)[nH]2)C1 ZINC001112110346 1030030799 /nfs/dbraw/zinc/03/07/99/1030030799.db2.gz KRPYYNOOVSLBHO-RAIGVLPGSA-N 1 2 359.396 2.509 20 30 FFEDLO N#Cc1c(Cl)ccnc1N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001165691915 1030087223 /nfs/dbraw/zinc/08/72/23/1030087223.db2.gz OHTXAHGANGGHGA-CQSZACIVSA-N 1 2 357.845 2.866 20 30 FFEDLO C=CCOCc1nn(C)c2c1CN(c1nc(NCC3CC3)c(C)c[nH+]1)CC2 ZINC001165787049 1030124120 /nfs/dbraw/zinc/12/41/20/1030124120.db2.gz OCCBXCDOMKJURL-UHFFFAOYSA-N 1 2 368.485 2.606 20 30 FFEDLO N#Cc1cnc(N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)c(Cl)c1 ZINC001165983744 1030189051 /nfs/dbraw/zinc/18/90/51/1030189051.db2.gz BTXLAAGPWSFRPL-UHFFFAOYSA-N 1 2 369.856 2.877 20 30 FFEDLO N#CCc1cc[nH+]c(N2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)c1 ZINC001166157576 1030278552 /nfs/dbraw/zinc/27/85/52/1030278552.db2.gz OFEBYNOSZPZGCJ-GOSISDBHSA-N 1 2 370.407 2.680 20 30 FFEDLO C[C@]1(c2ccccc2)NC(=O)N(N=Cc2cc(-n3cc[nH+]c3)cs2)C1=O ZINC000783810867 1030286332 /nfs/dbraw/zinc/28/63/32/1030286332.db2.gz BQVDVBBOUHNICV-GOSISDBHSA-N 1 2 365.418 2.735 20 30 FFEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCc2ccccc2C(N)=O)[nH+]1 ZINC001166194198 1030295873 /nfs/dbraw/zinc/29/58/73/1030295873.db2.gz NEVLJRMBJUATRD-KQBKHTHUSA-N 1 2 372.494 2.982 20 30 FFEDLO CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3cc(CC#N)cc[nH+]3)C[C@@H]12 ZINC001166220304 1030311441 /nfs/dbraw/zinc/31/14/41/1030311441.db2.gz XQLFWKMDLQJLCZ-IRLDBZIGSA-N 1 2 360.461 2.917 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc(OC)c(OC)c1)CC2 ZINC001203834775 1030918301 /nfs/dbraw/zinc/91/83/01/1030918301.db2.gz FNRBRUCVUJXWDG-UHFFFAOYSA-N 1 2 357.454 2.698 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc(OC)c(OC)c1)CC2 ZINC001203834775 1030918308 /nfs/dbraw/zinc/91/83/08/1030918308.db2.gz FNRBRUCVUJXWDG-UHFFFAOYSA-N 1 2 357.454 2.698 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1c(OC)cccc1OC)CC2 ZINC001204252103 1031190151 /nfs/dbraw/zinc/19/01/51/1031190151.db2.gz ZJYVHWQBEMFVLN-UHFFFAOYSA-N 1 2 357.454 2.698 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1c(OC)cccc1OC)CC2 ZINC001204252103 1031190161 /nfs/dbraw/zinc/19/01/61/1031190161.db2.gz ZJYVHWQBEMFVLN-UHFFFAOYSA-N 1 2 357.454 2.698 20 30 FFEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1c(Cl)ccc(F)c1F)CC2 ZINC001276463973 1031304900 /nfs/dbraw/zinc/30/49/00/1031304900.db2.gz KQJNCDZZPSJZEM-CYBMUJFWSA-N 1 2 352.812 2.970 20 30 FFEDLO CC(C)[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1ncc(C#N)cc1F ZINC001115369778 1031413111 /nfs/dbraw/zinc/41/31/11/1031413111.db2.gz JUUVVAKIMJWTEB-IIAWOOMASA-N 1 2 370.432 2.562 20 30 FFEDLO CC(C)[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1ncc(C#N)cc1F ZINC001115369778 1031413120 /nfs/dbraw/zinc/41/31/20/1031413120.db2.gz JUUVVAKIMJWTEB-IIAWOOMASA-N 1 2 370.432 2.562 20 30 FFEDLO CCCN1C(=O)CC[C@@H](C(=O)OCC#CC(C)(C)C)[C@@H]1c1c[nH+]cn1C ZINC000798889620 1031578355 /nfs/dbraw/zinc/57/83/55/1031578355.db2.gz ILOOCBLQMWJIII-CRAIPNDOSA-N 1 2 359.470 2.703 20 30 FFEDLO C=CCC1(C(=O)N(Cc2ccccc2)[C@@H]2C[N@@H+](CCF)C[C@H]2O)CCC1 ZINC001205188773 1031581903 /nfs/dbraw/zinc/58/19/03/1031581903.db2.gz QOJDBBYRZYCAJB-RTBURBONSA-N 1 2 360.473 2.776 20 30 FFEDLO C=CCC1(C(=O)N(Cc2ccccc2)[C@@H]2C[N@H+](CCF)C[C@H]2O)CCC1 ZINC001205188773 1031581920 /nfs/dbraw/zinc/58/19/20/1031581920.db2.gz QOJDBBYRZYCAJB-RTBURBONSA-N 1 2 360.473 2.776 20 30 FFEDLO Cc1ccn(C[N@@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c(=O)c1C#N ZINC000799582423 1031822496 /nfs/dbraw/zinc/82/24/96/1031822496.db2.gz MYDGKUPFMWPORG-MRXNPFEDSA-N 1 2 374.485 2.613 20 30 FFEDLO Cc1ccn(C[N@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c(=O)c1C#N ZINC000799582423 1031822499 /nfs/dbraw/zinc/82/24/99/1031822499.db2.gz MYDGKUPFMWPORG-MRXNPFEDSA-N 1 2 374.485 2.613 20 30 FFEDLO Cn1c[nH+]c(CCNC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 ZINC001535317171 1069764537 /nfs/dbraw/zinc/76/45/37/1069764537.db2.gz ZBBXTIOYPJVDAH-UHFFFAOYSA-N 1 2 360.417 2.843 20 30 FFEDLO CC1(CCC(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(F)c(C#N)c4)C[C@@H]32)CC1 ZINC001218899326 1033399893 /nfs/dbraw/zinc/39/98/93/1033399893.db2.gz DZLHDLSSDILPAH-RBUKOAKNSA-N 1 2 371.456 2.689 20 30 FFEDLO CC1(CCC(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@@H]32)CC1 ZINC001218899326 1033399905 /nfs/dbraw/zinc/39/99/05/1033399905.db2.gz DZLHDLSSDILPAH-RBUKOAKNSA-N 1 2 371.456 2.689 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001223338262 1033401188 /nfs/dbraw/zinc/40/11/88/1033401188.db2.gz KFQZFFKPRPTXTJ-WDYCEAGBSA-N 1 2 371.529 2.947 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001223338262 1033401194 /nfs/dbraw/zinc/40/11/94/1033401194.db2.gz KFQZFFKPRPTXTJ-WDYCEAGBSA-N 1 2 371.529 2.947 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001276890356 1033444108 /nfs/dbraw/zinc/44/41/08/1033444108.db2.gz ANZNXJGXEAXZCW-WDSOQIARSA-N 1 2 353.466 2.694 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001276890356 1033444115 /nfs/dbraw/zinc/44/41/15/1033444115.db2.gz ANZNXJGXEAXZCW-WDSOQIARSA-N 1 2 353.466 2.694 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1csc(-c2ccncc2)n1 ZINC001276949388 1033732706 /nfs/dbraw/zinc/73/27/06/1033732706.db2.gz ROTYLHXZWSBOPH-HXUWFJFHSA-N 1 2 366.490 2.795 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1csc(-c2ccncc2)n1 ZINC001276949388 1033732723 /nfs/dbraw/zinc/73/27/23/1033732723.db2.gz ROTYLHXZWSBOPH-HXUWFJFHSA-N 1 2 366.490 2.795 20 30 FFEDLO N#CCC[N@H+]1CCC[C@]2(CCN(CCC(=O)c3ccccc3)C2=O)CC1 ZINC001276950052 1033736031 /nfs/dbraw/zinc/73/60/31/1033736031.db2.gz ZZAKGGIXCWKGKS-OAQYLSRUSA-N 1 2 353.466 2.878 20 30 FFEDLO N#CCC[N@@H+]1CCC[C@]2(CCN(CCC(=O)c3ccccc3)C2=O)CC1 ZINC001276950052 1033736046 /nfs/dbraw/zinc/73/60/46/1033736046.db2.gz ZZAKGGIXCWKGKS-OAQYLSRUSA-N 1 2 353.466 2.878 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)cc3Cl)C[C@@H]2O)CCC1 ZINC001219785388 1033819529 /nfs/dbraw/zinc/81/95/29/1033819529.db2.gz MWHJRNWBCMUTKN-MSOLQXFVSA-N 1 2 360.885 2.503 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C)cc3Cl)C[C@@H]2O)CCC1 ZINC001219785388 1033819541 /nfs/dbraw/zinc/81/95/41/1033819541.db2.gz MWHJRNWBCMUTKN-MSOLQXFVSA-N 1 2 360.885 2.503 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2c(Cl)nccc2N(C)C)C1=O ZINC001276810667 1033988002 /nfs/dbraw/zinc/98/80/02/1033988002.db2.gz WEUMIRIHZSEQLY-LJQANCHMSA-N 1 2 362.905 2.944 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2c(Cl)nccc2N(C)C)C1=O ZINC001276810667 1033988015 /nfs/dbraw/zinc/98/80/15/1033988015.db2.gz WEUMIRIHZSEQLY-LJQANCHMSA-N 1 2 362.905 2.944 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(Cl)c2)C[C@@H]1O ZINC001220201288 1034042082 /nfs/dbraw/zinc/04/20/82/1034042082.db2.gz LNDDVBBRMZBOGX-XKQJLSEDSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(Cl)c2)C[C@@H]1O ZINC001220201288 1034042099 /nfs/dbraw/zinc/04/20/99/1034042099.db2.gz LNDDVBBRMZBOGX-XKQJLSEDSA-N 1 2 366.889 2.612 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)cc1OC ZINC001138345060 1034176875 /nfs/dbraw/zinc/17/68/75/1034176875.db2.gz GNEOSUDEACZAHX-CZTZKLFOSA-N 1 2 371.477 2.866 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)cc1OC ZINC001138345060 1034176879 /nfs/dbraw/zinc/17/68/79/1034176879.db2.gz GNEOSUDEACZAHX-CZTZKLFOSA-N 1 2 371.477 2.866 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(-c3ccc(OC)cc3)no2)CC1 ZINC000831687148 1034206796 /nfs/dbraw/zinc/20/67/96/1034206796.db2.gz JHRGDIZDDLBGTP-UHFFFAOYSA-N 1 2 355.394 2.629 20 30 FFEDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C2(C#N)CCOCC2)CC1 ZINC000831874615 1034371802 /nfs/dbraw/zinc/37/18/02/1034371802.db2.gz YRKHBTWOCFEEOF-GOSISDBHSA-N 1 2 359.445 2.741 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(-c2ccccc2)n1 ZINC001226073562 1034515241 /nfs/dbraw/zinc/51/52/41/1034515241.db2.gz UQWJBBCPSZLZBF-QZTJIDSGSA-N 1 2 366.465 2.913 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)CCCCC1 ZINC001221050485 1034526023 /nfs/dbraw/zinc/52/60/23/1034526023.db2.gz FRSRWJWWMYJMHQ-RTWAWAEBSA-N 1 2 366.505 2.726 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)CCCCC1 ZINC001221050485 1034526028 /nfs/dbraw/zinc/52/60/28/1034526028.db2.gz FRSRWJWWMYJMHQ-RTWAWAEBSA-N 1 2 366.505 2.726 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cncc(C)c3)C[C@@H]2O)CCCCC1 ZINC001221050848 1034527229 /nfs/dbraw/zinc/52/72/29/1034527229.db2.gz RPXSISFHUSLEFD-MOPGFXCFSA-N 1 2 357.498 2.578 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cncc(C)c3)C[C@@H]2O)CCCCC1 ZINC001221050848 1034527238 /nfs/dbraw/zinc/52/72/38/1034527238.db2.gz RPXSISFHUSLEFD-MOPGFXCFSA-N 1 2 357.498 2.578 20 30 FFEDLO C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(F)C(F)(F)F ZINC001226356210 1034648129 /nfs/dbraw/zinc/64/81/29/1034648129.db2.gz RVLFHOFNDMRKQZ-OPRDCNLKSA-N 1 2 361.177 2.812 20 30 FFEDLO C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)C(F)(F)F ZINC001226356210 1034648136 /nfs/dbraw/zinc/64/81/36/1034648136.db2.gz RVLFHOFNDMRKQZ-OPRDCNLKSA-N 1 2 361.177 2.812 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)ccc3F)C[C@H]21 ZINC001221421748 1034734793 /nfs/dbraw/zinc/73/47/93/1034734793.db2.gz GKWJLCNIVVHICV-QMTMVMCOSA-N 1 2 364.436 2.979 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)ccc3F)C[C@H]21 ZINC001221421748 1034734808 /nfs/dbraw/zinc/73/48/08/1034734808.db2.gz GKWJLCNIVVHICV-QMTMVMCOSA-N 1 2 364.436 2.979 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncc(Br)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226727227 1034806769 /nfs/dbraw/zinc/80/67/69/1034806769.db2.gz ZOVWUJCBAKDTMZ-VMMDLRTJSA-N 1 2 361.239 2.989 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncc(Br)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226727227 1034806781 /nfs/dbraw/zinc/80/67/81/1034806781.db2.gz ZOVWUJCBAKDTMZ-VMMDLRTJSA-N 1 2 361.239 2.989 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3nc4ccc(F)cc4o3)C[C@H]21 ZINC001221512525 1034830871 /nfs/dbraw/zinc/83/08/71/1034830871.db2.gz FAHBZFDOOYLTME-RHSMWYFYSA-N 1 2 355.413 2.803 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@H+](Cc3nc4ccc(F)cc4o3)C[C@H]21 ZINC001221512525 1034830878 /nfs/dbraw/zinc/83/08/78/1034830878.db2.gz FAHBZFDOOYLTME-RHSMWYFYSA-N 1 2 355.413 2.803 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccnc(Cl)c4)C[C@H]32)CCC1 ZINC001221610911 1034916889 /nfs/dbraw/zinc/91/68/89/1034916889.db2.gz GMNRVYXACROCNX-IAGOWNOFSA-N 1 2 357.885 2.961 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccnc(Cl)c4)C[C@H]32)CCC1 ZINC001221610911 1034916896 /nfs/dbraw/zinc/91/68/96/1034916896.db2.gz GMNRVYXACROCNX-IAGOWNOFSA-N 1 2 357.885 2.961 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[N@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001221761880 1035046484 /nfs/dbraw/zinc/04/64/84/1035046484.db2.gz GXOTVHMREWTROD-MBOZVWFJSA-N 1 2 356.514 2.854 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[N@@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001221761880 1035046493 /nfs/dbraw/zinc/04/64/93/1035046493.db2.gz GXOTVHMREWTROD-MBOZVWFJSA-N 1 2 356.514 2.854 20 30 FFEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cn(Cc3ccccc3)nn1)C2 ZINC001139489320 1035132454 /nfs/dbraw/zinc/13/24/54/1035132454.db2.gz ZONUWIOTEBBBLC-NHCUHLMSSA-N 1 2 368.481 2.653 20 30 FFEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cn(Cc3ccccc3)nn1)C2 ZINC001139489320 1035132457 /nfs/dbraw/zinc/13/24/57/1035132457.db2.gz ZONUWIOTEBBBLC-NHCUHLMSSA-N 1 2 368.481 2.653 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)cc1F ZINC001139527462 1035148365 /nfs/dbraw/zinc/14/83/65/1035148365.db2.gz CNYOMJWDGWITDD-FXAWDEMLSA-N 1 2 355.413 2.623 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)cc1F ZINC001139527462 1035148371 /nfs/dbraw/zinc/14/83/71/1035148371.db2.gz CNYOMJWDGWITDD-FXAWDEMLSA-N 1 2 355.413 2.623 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2c[nH]c3ccc(C#N)cc23)Cc2nnn(CC)c21 ZINC001140112123 1035345759 /nfs/dbraw/zinc/34/57/59/1035345759.db2.gz IVIQBADJDRPDOP-MRXNPFEDSA-N 1 2 364.453 2.787 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)Cc2nnn(CC)c21 ZINC001140112123 1035345763 /nfs/dbraw/zinc/34/57/63/1035345763.db2.gz IVIQBADJDRPDOP-MRXNPFEDSA-N 1 2 364.453 2.787 20 30 FFEDLO N#Cc1ccnc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)c1 ZINC001232479085 1035723241 /nfs/dbraw/zinc/72/32/41/1035723241.db2.gz PYRANNNYMRYRFW-GHTZIAJQSA-N 1 2 364.449 2.798 20 30 FFEDLO N#Cc1ccnc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)c1 ZINC001232479085 1035723255 /nfs/dbraw/zinc/72/32/55/1035723255.db2.gz PYRANNNYMRYRFW-GHTZIAJQSA-N 1 2 364.449 2.798 20 30 FFEDLO COC(=O)c1cc(Cl)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c(Cl)c1 ZINC001227831939 1035765734 /nfs/dbraw/zinc/76/57/34/1035765734.db2.gz LXDKRRDZLOEYEC-QCRWRKDUSA-N 1 2 358.221 2.771 20 30 FFEDLO COC(=O)c1cc(Cl)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c(Cl)c1 ZINC001227831939 1035765744 /nfs/dbraw/zinc/76/57/44/1035765744.db2.gz LXDKRRDZLOEYEC-QCRWRKDUSA-N 1 2 358.221 2.771 20 30 FFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NC2CCC2)C1 ZINC001232606685 1035860106 /nfs/dbraw/zinc/86/01/06/1035860106.db2.gz WNJOIQNAIBNUAJ-GBESFXJTSA-N 1 2 373.884 2.717 20 30 FFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NC2CCC2)C1 ZINC001232606685 1035860126 /nfs/dbraw/zinc/86/01/26/1035860126.db2.gz WNJOIQNAIBNUAJ-GBESFXJTSA-N 1 2 373.884 2.717 20 30 FFEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1cnc(Cl)c(F)c1)CC2 ZINC001277260456 1035864872 /nfs/dbraw/zinc/86/48/72/1035864872.db2.gz HDAMVLCFQWGOAF-CQSZACIVSA-N 1 2 364.852 2.896 20 30 FFEDLO CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001232674744 1035932096 /nfs/dbraw/zinc/93/20/96/1035932096.db2.gz CZTGDPWSCCPPKK-HNNXBMFYSA-N 1 2 357.454 2.953 20 30 FFEDLO CC(C)(C)OC(=O)N1CC([C@H]2CC[N@@H+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001232674744 1035932101 /nfs/dbraw/zinc/93/21/01/1035932101.db2.gz CZTGDPWSCCPPKK-HNNXBMFYSA-N 1 2 357.454 2.953 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)c1 ZINC001232676212 1035933498 /nfs/dbraw/zinc/93/34/98/1035933498.db2.gz GXCXWUJHCGDHKT-GHTZIAJQSA-N 1 2 365.433 2.861 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)c1 ZINC001232676212 1035933506 /nfs/dbraw/zinc/93/35/06/1035933506.db2.gz GXCXWUJHCGDHKT-GHTZIAJQSA-N 1 2 365.433 2.861 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CCN(C(=O)c4ccco4)C3)CC2)c1 ZINC001232677024 1035935650 /nfs/dbraw/zinc/93/56/50/1035935650.db2.gz HKONFVMYPLXHEU-UHFFFAOYSA-N 1 2 365.433 2.985 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)c1 ZINC001232677886 1035936550 /nfs/dbraw/zinc/93/65/50/1035936550.db2.gz REZNQNBVISOCMM-IBGZPJMESA-N 1 2 361.445 2.902 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CC2)CN(c2ccccn2)CCO3)c1 ZINC001232676995 1035937071 /nfs/dbraw/zinc/93/70/71/1035937071.db2.gz GZUJWHBIASLHQC-UHFFFAOYSA-N 1 2 364.449 2.530 20 30 FFEDLO N#Cc1c(F)cc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)cc1F ZINC001140751618 1036057804 /nfs/dbraw/zinc/05/78/04/1036057804.db2.gz DADLKKIKOQRRGU-RBUKOAKNSA-N 1 2 368.387 2.607 20 30 FFEDLO N#Cc1c(F)cc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)cc1F ZINC001140751618 1036057825 /nfs/dbraw/zinc/05/78/25/1036057825.db2.gz DADLKKIKOQRRGU-RBUKOAKNSA-N 1 2 368.387 2.607 20 30 FFEDLO COc1ccnc(O[C@H]2CCC[N@H+](Cc3cc(F)c(C#N)c(F)c3)C2)n1 ZINC001140755899 1036071306 /nfs/dbraw/zinc/07/13/06/1036071306.db2.gz YBVKBPMFFZSTER-ZDUSSCGKSA-N 1 2 360.364 2.678 20 30 FFEDLO COc1ccnc(O[C@H]2CCC[N@@H+](Cc3cc(F)c(C#N)c(F)c3)C2)n1 ZINC001140755899 1036071320 /nfs/dbraw/zinc/07/13/20/1036071320.db2.gz YBVKBPMFFZSTER-ZDUSSCGKSA-N 1 2 360.364 2.678 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cccnc1 ZINC001232891167 1036134141 /nfs/dbraw/zinc/13/41/41/1036134141.db2.gz HFWIJTMWZPHZIN-WOJBJXKFSA-N 1 2 364.424 2.858 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cccnc1 ZINC001232891167 1036134148 /nfs/dbraw/zinc/13/41/48/1036134148.db2.gz HFWIJTMWZPHZIN-WOJBJXKFSA-N 1 2 364.424 2.858 20 30 FFEDLO CC(=O)c1c(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc(C)oc1=O ZINC001229188009 1036538874 /nfs/dbraw/zinc/53/88/74/1036538874.db2.gz UONSTJJGFJBEFJ-QGZVFWFLSA-N 1 2 352.390 2.676 20 30 FFEDLO CC(=O)c1c(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc(C)oc1=O ZINC001229188009 1036538890 /nfs/dbraw/zinc/53/88/90/1036538890.db2.gz UONSTJJGFJBEFJ-QGZVFWFLSA-N 1 2 352.390 2.676 20 30 FFEDLO COC(=O)c1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)c1 ZINC001233627851 1036701394 /nfs/dbraw/zinc/70/13/94/1036701394.db2.gz IFPFEDFFEXXPCI-IBGZPJMESA-N 1 2 366.417 2.625 20 30 FFEDLO COC(=O)c1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)c1 ZINC001233627851 1036701414 /nfs/dbraw/zinc/70/14/14/1036701414.db2.gz IFPFEDFFEXXPCI-IBGZPJMESA-N 1 2 366.417 2.625 20 30 FFEDLO CCc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)cc1 ZINC001206947137 1036964069 /nfs/dbraw/zinc/96/40/69/1036964069.db2.gz HROKASYWGLENHF-FUHIMQAGSA-N 1 2 369.509 2.672 20 30 FFEDLO CCc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)cc1 ZINC001206947137 1036964087 /nfs/dbraw/zinc/96/40/87/1036964087.db2.gz HROKASYWGLENHF-FUHIMQAGSA-N 1 2 369.509 2.672 20 30 FFEDLO C=CCCCCCC[C@H](O)C[NH+]1CC2(C1)CN(CCCC)C(=O)CO2 ZINC001277841854 1036974323 /nfs/dbraw/zinc/97/43/23/1036974323.db2.gz ZHYBXLURBSPGDT-SFHVURJKSA-N 1 2 352.519 2.587 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Br)[nH]1 ZINC001277849972 1037006185 /nfs/dbraw/zinc/00/61/85/1037006185.db2.gz KLOBAHFKNHTSFX-ZIAGYGMSSA-N 1 2 365.275 2.646 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Br)[nH]1 ZINC001277849972 1037006199 /nfs/dbraw/zinc/00/61/99/1037006199.db2.gz KLOBAHFKNHTSFX-ZIAGYGMSSA-N 1 2 365.275 2.646 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001234385724 1037013190 /nfs/dbraw/zinc/01/31/90/1037013190.db2.gz RBIQUDMNULYDBB-AQNXPRMDSA-N 1 2 354.494 2.609 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001234385724 1037013205 /nfs/dbraw/zinc/01/32/05/1037013205.db2.gz RBIQUDMNULYDBB-AQNXPRMDSA-N 1 2 354.494 2.609 20 30 FFEDLO Cn1cnc2c1[C@H](COCC1CCCC1)C[N@@H+](Cc1cc(C#N)n(C)c1)C2 ZINC001207104471 1037150356 /nfs/dbraw/zinc/15/03/56/1037150356.db2.gz SJWZOYMSAVSRCP-SFHVURJKSA-N 1 2 367.497 2.936 20 30 FFEDLO Cn1cnc2c1[C@H](COCC1CCCC1)C[N@H+](Cc1cc(C#N)n(C)c1)C2 ZINC001207104471 1037150359 /nfs/dbraw/zinc/15/03/59/1037150359.db2.gz SJWZOYMSAVSRCP-SFHVURJKSA-N 1 2 367.497 2.936 20 30 FFEDLO Cn1cc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)cc1C#N ZINC001207105000 1037150435 /nfs/dbraw/zinc/15/04/35/1037150435.db2.gz MJNNCAIBBCYTSO-KVSKMBFKSA-N 1 2 372.494 2.549 20 30 FFEDLO Cn1cc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)cc1C#N ZINC001207105000 1037150442 /nfs/dbraw/zinc/15/04/42/1037150442.db2.gz MJNNCAIBBCYTSO-KVSKMBFKSA-N 1 2 372.494 2.549 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2nc(=O)[nH]c3c2SCCC3)C1 ZINC001234905102 1037235251 /nfs/dbraw/zinc/23/52/51/1037235251.db2.gz AHHCYJGXFRXZRQ-OAHLLOKOSA-N 1 2 368.462 2.745 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3ccccc3)n2C)C[C@H]1C ZINC001207215398 1037253860 /nfs/dbraw/zinc/25/38/60/1037253860.db2.gz IALMMMBORFWWPX-SJLPKXTDSA-N 1 2 367.497 2.775 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3ccccc3)n2C)C[C@H]1C ZINC001207215398 1037253875 /nfs/dbraw/zinc/25/38/75/1037253875.db2.gz IALMMMBORFWWPX-SJLPKXTDSA-N 1 2 367.497 2.775 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2csc(C)n2)C[C@H]1C)OCC ZINC001207263575 1037298597 /nfs/dbraw/zinc/29/85/97/1037298597.db2.gz WTCXSRFMXMLPJF-KBRIMQKVSA-N 1 2 351.516 2.759 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2csc(C)n2)C[C@H]1C)OCC ZINC001207263575 1037298613 /nfs/dbraw/zinc/29/86/13/1037298613.db2.gz WTCXSRFMXMLPJF-KBRIMQKVSA-N 1 2 351.516 2.759 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](Cc2c[nH]c(-c3ccccc3F)c2)CC1 ZINC001235045071 1037325281 /nfs/dbraw/zinc/32/52/81/1037325281.db2.gz YDXLYBBBHVQZBW-UHFFFAOYSA-N 1 2 362.412 2.805 20 30 FFEDLO N#Cc1cnn2ccc(O[C@@H]3CCC[N@@H+](Cc4cnc(Cl)s4)C3)nc12 ZINC001230960070 1037422397 /nfs/dbraw/zinc/42/23/97/1037422397.db2.gz DVZKQFJBPYKGCO-GFCCVEGCSA-N 1 2 374.857 2.754 20 30 FFEDLO N#Cc1cnn2ccc(O[C@@H]3CCC[N@H+](Cc4cnc(Cl)s4)C3)nc12 ZINC001230960070 1037422403 /nfs/dbraw/zinc/42/24/03/1037422403.db2.gz DVZKQFJBPYKGCO-GFCCVEGCSA-N 1 2 374.857 2.754 20 30 FFEDLO C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC001207438558 1037443229 /nfs/dbraw/zinc/44/32/29/1037443229.db2.gz VMJHUHZXAQRQOV-IIDMSEBBSA-N 1 2 353.470 2.877 20 30 FFEDLO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC001207438558 1037443231 /nfs/dbraw/zinc/44/32/31/1037443231.db2.gz VMJHUHZXAQRQOV-IIDMSEBBSA-N 1 2 353.470 2.877 20 30 FFEDLO C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC001207826441 1037762004 /nfs/dbraw/zinc/76/20/04/1037762004.db2.gz OAEBUJCDDNEWCG-ZRGWGRIASA-N 1 2 353.466 2.933 20 30 FFEDLO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC001207826441 1037762023 /nfs/dbraw/zinc/76/20/23/1037762023.db2.gz OAEBUJCDDNEWCG-ZRGWGRIASA-N 1 2 353.466 2.933 20 30 FFEDLO C#Cc1cccc(C[N@@H+]2CCc3onc(C(=O)Nc4cccnc4)c3C2)c1 ZINC001231659353 1037786664 /nfs/dbraw/zinc/78/66/64/1037786664.db2.gz JVYJHFYTBPUBQB-UHFFFAOYSA-N 1 2 358.401 2.862 20 30 FFEDLO C#Cc1cccc(C[N@H+]2CCc3onc(C(=O)Nc4cccnc4)c3C2)c1 ZINC001231659353 1037786676 /nfs/dbraw/zinc/78/66/76/1037786676.db2.gz JVYJHFYTBPUBQB-UHFFFAOYSA-N 1 2 358.401 2.862 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001208129661 1038071092 /nfs/dbraw/zinc/07/10/92/1038071092.db2.gz ZTESWGPDKIWXTM-IDHHARJASA-N 1 2 365.905 2.900 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001208129661 1038071112 /nfs/dbraw/zinc/07/11/12/1038071112.db2.gz ZTESWGPDKIWXTM-IDHHARJASA-N 1 2 365.905 2.900 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001208149985 1038091943 /nfs/dbraw/zinc/09/19/43/1038091943.db2.gz MORLHXCHBSMHNG-OGWOLHLISA-N 1 2 365.543 2.871 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001208149985 1038091963 /nfs/dbraw/zinc/09/19/63/1038091963.db2.gz MORLHXCHBSMHNG-OGWOLHLISA-N 1 2 365.543 2.871 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cccc(C(=O)OCC)n1)CCO2 ZINC001236645644 1038172085 /nfs/dbraw/zinc/17/20/85/1038172085.db2.gz PBMAGYRYEBGCPY-DYESRHJHSA-N 1 2 374.481 2.832 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cccc(C(=O)OCC)n1)CCO2 ZINC001236645644 1038172090 /nfs/dbraw/zinc/17/20/90/1038172090.db2.gz PBMAGYRYEBGCPY-DYESRHJHSA-N 1 2 374.481 2.832 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Oc2ccc(OC)cc2)C1 ZINC001208258076 1038173112 /nfs/dbraw/zinc/17/31/12/1038173112.db2.gz YNXYLPSZMLVNDA-SUYBPPKGSA-N 1 2 352.862 2.652 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Oc2ccc(OC)cc2)C1 ZINC001208258076 1038173118 /nfs/dbraw/zinc/17/31/18/1038173118.db2.gz YNXYLPSZMLVNDA-SUYBPPKGSA-N 1 2 352.862 2.652 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)C(=C)C)C2)c1 ZINC001208294345 1038197114 /nfs/dbraw/zinc/19/71/14/1038197114.db2.gz DRJDOQBMANKGGR-VQIMIIECSA-N 1 2 367.493 2.645 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)C(=C)C)C2)c1 ZINC001208294345 1038197119 /nfs/dbraw/zinc/19/71/19/1038197119.db2.gz DRJDOQBMANKGGR-VQIMIIECSA-N 1 2 367.493 2.645 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C(F)(F)F ZINC001208341918 1038227054 /nfs/dbraw/zinc/22/70/54/1038227054.db2.gz CFDDAJZNYZAHAK-UEKVPHQBSA-N 1 2 357.351 2.832 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C(F)(F)F ZINC001208341918 1038227061 /nfs/dbraw/zinc/22/70/61/1038227061.db2.gz CFDDAJZNYZAHAK-UEKVPHQBSA-N 1 2 357.351 2.832 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H]3CN(C(=O)Cc4ccsc4)C[C@H]32)c1 ZINC001278894536 1038231565 /nfs/dbraw/zinc/23/15/65/1038231565.db2.gz DZYLLLDLFBDRCE-FUHWJXTLSA-N 1 2 367.474 2.601 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H]3CN(C(=O)Cc4ccsc4)C[C@H]32)c1 ZINC001278894536 1038231578 /nfs/dbraw/zinc/23/15/78/1038231578.db2.gz DZYLLLDLFBDRCE-FUHWJXTLSA-N 1 2 367.474 2.601 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C/C=C(\C)C=C)C2)c1 ZINC001208353516 1038239764 /nfs/dbraw/zinc/23/97/64/1038239764.db2.gz HDUYLPYCOMMYJI-JMNFLCOKSA-N 1 2 365.477 2.565 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C/C=C(\C)C=C)C2)c1 ZINC001208353516 1038239780 /nfs/dbraw/zinc/23/97/80/1038239780.db2.gz HDUYLPYCOMMYJI-JMNFLCOKSA-N 1 2 365.477 2.565 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2c(C)cccc2C)C[C@H]1C ZINC001208371071 1038260122 /nfs/dbraw/zinc/26/01/22/1038260122.db2.gz DHFBPGROQJUFNC-RTBURBONSA-N 1 2 369.509 2.872 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2c(C)cccc2C)C[C@H]1C ZINC001208371071 1038260135 /nfs/dbraw/zinc/26/01/35/1038260135.db2.gz DHFBPGROQJUFNC-RTBURBONSA-N 1 2 369.509 2.872 20 30 FFEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(O)c(F)c(F)c1)CC2 ZINC001278009841 1038267178 /nfs/dbraw/zinc/26/71/78/1038267178.db2.gz ZEVXNDKDEJEDJN-CQSZACIVSA-N 1 2 363.408 2.692 20 30 FFEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2c(O)cc(OC)cc2Cl)CC1 ZINC001236807265 1038281581 /nfs/dbraw/zinc/28/15/81/1038281581.db2.gz DVGQSRLRYXGXRK-UHFFFAOYSA-N 1 2 352.818 2.723 20 30 FFEDLO CCOC(=O)c1cc(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)[nH]n1 ZINC001237033526 1038413926 /nfs/dbraw/zinc/41/39/26/1038413926.db2.gz VOHUWPLERJQASS-KRWDZBQOSA-N 1 2 354.410 2.501 20 30 FFEDLO CCOC(=O)c1cc(C[N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)[nH]n1 ZINC001237033526 1038413931 /nfs/dbraw/zinc/41/39/31/1038413931.db2.gz VOHUWPLERJQASS-KRWDZBQOSA-N 1 2 354.410 2.501 20 30 FFEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001257113850 1038715423 /nfs/dbraw/zinc/71/54/23/1038715423.db2.gz WUIDCMMUZKMLPN-MJBXVCDLSA-N 1 2 360.520 2.616 20 30 FFEDLO CN(CC[NH+]1CCOCC1)C(=S)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001245743489 1039102650 /nfs/dbraw/zinc/10/26/50/1039102650.db2.gz VETDQLQBCBWTKO-UHFFFAOYSA-N 1 2 372.416 2.538 20 30 FFEDLO CCCCCCCC[C@H](O)C[N@@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001252127212 1039442015 /nfs/dbraw/zinc/44/20/15/1039442015.db2.gz YREASWCDMXEJIA-WMZOPIPTSA-N 1 2 352.523 2.955 20 30 FFEDLO CCCCCCCC[C@H](O)C[N@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001252127212 1039442019 /nfs/dbraw/zinc/44/20/19/1039442019.db2.gz YREASWCDMXEJIA-WMZOPIPTSA-N 1 2 352.523 2.955 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3OCCN(CCCC(F)(F)F)[C@H]3C2)c1 ZINC001278680769 1039687726 /nfs/dbraw/zinc/68/77/26/1039687726.db2.gz IGLNWFCDNFLCDU-IRXDYDNUSA-N 1 2 371.378 2.925 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3OCCN(CCCC(F)(F)F)[C@H]3C2)c1 ZINC001278680769 1039687735 /nfs/dbraw/zinc/68/77/35/1039687735.db2.gz IGLNWFCDNFLCDU-IRXDYDNUSA-N 1 2 371.378 2.925 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COc2ccc(C)cc2OC)C1 ZINC001210842933 1039769040 /nfs/dbraw/zinc/76/90/40/1039769040.db2.gz DPHOUXKOLJAOTC-UKRRQHHQSA-N 1 2 352.862 2.571 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COc2ccc(C)cc2OC)C1 ZINC001210842933 1039769053 /nfs/dbraw/zinc/76/90/53/1039769053.db2.gz DPHOUXKOLJAOTC-UKRRQHHQSA-N 1 2 352.862 2.571 20 30 FFEDLO C=CCCCCCC[C@@H](O)CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC001253233430 1040059379 /nfs/dbraw/zinc/05/93/79/1040059379.db2.gz DZDDUOTWNPMJQD-LJQANCHMSA-N 1 2 350.507 2.515 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1CCCn2c(Cn3cccn3)nnc2C1 ZINC001253239731 1040064915 /nfs/dbraw/zinc/06/49/15/1040064915.db2.gz RIJDXOGMYGJPMV-GOSISDBHSA-N 1 2 372.517 2.616 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[N@H+]1CCCn2c(Cn3cccn3)nnc2C1 ZINC001253239731 1040064930 /nfs/dbraw/zinc/06/49/30/1040064930.db2.gz RIJDXOGMYGJPMV-GOSISDBHSA-N 1 2 372.517 2.616 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001211424959 1040181876 /nfs/dbraw/zinc/18/18/76/1040181876.db2.gz GJTMNAKYWWRPPF-JTDSTZFVSA-N 1 2 360.885 2.719 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001211424959 1040181888 /nfs/dbraw/zinc/18/18/88/1040181888.db2.gz GJTMNAKYWWRPPF-JTDSTZFVSA-N 1 2 360.885 2.719 20 30 FFEDLO C=C[C@@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(F)cc1 ZINC001253587049 1040250968 /nfs/dbraw/zinc/25/09/68/1040250968.db2.gz YCQRWGYIIUZOOX-SJORKVTESA-N 1 2 350.434 2.966 20 30 FFEDLO C=C[C@@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(F)cc1 ZINC001253587049 1040250978 /nfs/dbraw/zinc/25/09/78/1040250978.db2.gz YCQRWGYIIUZOOX-SJORKVTESA-N 1 2 350.434 2.966 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2F)C1 ZINC001248757882 1040401103 /nfs/dbraw/zinc/40/11/03/1040401103.db2.gz SBLGHYVIHKVFCJ-CQSZACIVSA-N 1 2 352.406 2.720 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2F)C1 ZINC001248757882 1040401109 /nfs/dbraw/zinc/40/11/09/1040401109.db2.gz SBLGHYVIHKVFCJ-CQSZACIVSA-N 1 2 352.406 2.720 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cnn3ccc(C#N)cc23)CC[C@H]1F ZINC001249113824 1040586821 /nfs/dbraw/zinc/58/68/21/1040586821.db2.gz OTRPVYPXQXLMQN-HZPDHXFCSA-N 1 2 373.432 2.643 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cnn3ccc(C#N)cc23)CC[C@H]1F ZINC001249113824 1040586833 /nfs/dbraw/zinc/58/68/33/1040586833.db2.gz OTRPVYPXQXLMQN-HZPDHXFCSA-N 1 2 373.432 2.643 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cn(C(C)C)nc2C)C[C@H]1OC ZINC001213497710 1040612492 /nfs/dbraw/zinc/61/24/92/1040612492.db2.gz COKYFWHCTDDZGS-QZTJIDSGSA-N 1 2 362.518 2.690 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cn(C(C)C)nc2C)C[C@H]1OC ZINC001213497710 1040612500 /nfs/dbraw/zinc/61/25/00/1040612500.db2.gz COKYFWHCTDDZGS-QZTJIDSGSA-N 1 2 362.518 2.690 20 30 FFEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213612078 1040716890 /nfs/dbraw/zinc/71/68/90/1040716890.db2.gz RYJQROSGFIIDDH-GDIGMMSISA-N 1 2 361.461 2.839 20 30 FFEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213612078 1040716906 /nfs/dbraw/zinc/71/69/06/1040716906.db2.gz RYJQROSGFIIDDH-GDIGMMSISA-N 1 2 361.461 2.839 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C(C)(C)CC(C)C ZINC001213695435 1040805783 /nfs/dbraw/zinc/80/57/83/1040805783.db2.gz SCSGEVNVBXXZNR-RTBURBONSA-N 1 2 357.498 2.946 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C(C)(C)CC(C)C ZINC001213695435 1040805799 /nfs/dbraw/zinc/80/57/99/1040805799.db2.gz SCSGEVNVBXXZNR-RTBURBONSA-N 1 2 357.498 2.946 20 30 FFEDLO Cc1ncsc1C[NH+]1CC2(CN(C(=O)c3cc(C#N)ccc3C)C2)C1 ZINC001278797195 1040830101 /nfs/dbraw/zinc/83/01/01/1040830101.db2.gz LYLBLICDLYBTBB-UHFFFAOYSA-N 1 2 352.463 2.590 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@@H](C)C(C)(C)C ZINC001213781824 1040901963 /nfs/dbraw/zinc/90/19/63/1040901963.db2.gz XGXBQWKJNQNMKG-ATZDWAIDSA-N 1 2 357.498 2.946 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@@H](C)C(C)(C)C ZINC001213781824 1040901980 /nfs/dbraw/zinc/90/19/80/1040901980.db2.gz XGXBQWKJNQNMKG-ATZDWAIDSA-N 1 2 357.498 2.946 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1OC)c1ccccc1 ZINC001213895460 1041037717 /nfs/dbraw/zinc/03/77/17/1041037717.db2.gz BGBRVBMLCBYERA-VAMGGRTRSA-N 1 2 369.465 2.658 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1OC)c1ccccc1 ZINC001213895460 1041037735 /nfs/dbraw/zinc/03/77/35/1041037735.db2.gz BGBRVBMLCBYERA-VAMGGRTRSA-N 1 2 369.465 2.658 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1OC)c1ccccc1 ZINC001213895750 1041039729 /nfs/dbraw/zinc/03/97/29/1041039729.db2.gz KLRKYQFHSSJPRY-VAMGGRTRSA-N 1 2 369.465 2.658 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1OC)c1ccccc1 ZINC001213895750 1041039742 /nfs/dbraw/zinc/03/97/42/1041039742.db2.gz KLRKYQFHSSJPRY-VAMGGRTRSA-N 1 2 369.465 2.658 20 30 FFEDLO CC[C@H](CC#N)[N@@H+]1CC[C@H]2C(=O)N(Cc3cccc(F)c3)CCO[C@H]2C1 ZINC001255172226 1041180599 /nfs/dbraw/zinc/18/05/99/1041180599.db2.gz LLCWMXBGKBWMPQ-QRVBRYPASA-N 1 2 359.445 2.567 20 30 FFEDLO CC[C@H](CC#N)[N@H+]1CC[C@H]2C(=O)N(Cc3cccc(F)c3)CCO[C@H]2C1 ZINC001255172226 1041180605 /nfs/dbraw/zinc/18/06/05/1041180605.db2.gz LLCWMXBGKBWMPQ-QRVBRYPASA-N 1 2 359.445 2.567 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(Cc3ccccc3C)no2)C1 ZINC001214306212 1041369557 /nfs/dbraw/zinc/36/95/57/1041369557.db2.gz XYROFOODEIHJHL-SJLPKXTDSA-N 1 2 368.481 2.872 20 30 FFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2CC#N)[C@@H]1c1ccc(F)cc1 ZINC001261854782 1041449355 /nfs/dbraw/zinc/44/93/55/1041449355.db2.gz VXUBMBHAKWLLCL-MJGOQNOKSA-N 1 2 373.453 2.615 20 30 FFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2CC#N)[C@@H]1c1ccc(F)cc1 ZINC001261854782 1041449356 /nfs/dbraw/zinc/44/93/56/1041449356.db2.gz VXUBMBHAKWLLCL-MJGOQNOKSA-N 1 2 373.453 2.615 20 30 FFEDLO C[C@H]([NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C)c1nc(C(C)(C)C)no1 ZINC001214585412 1041494305 /nfs/dbraw/zinc/49/43/05/1041494305.db2.gz JDLZSRGCVLEJPV-QLFBSQMISA-N 1 2 360.502 2.914 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@H](C2CCCCC2)C1 ZINC001262947166 1041981666 /nfs/dbraw/zinc/98/16/66/1041981666.db2.gz GUAQVDYQFBUSFY-OTWHNJEPSA-N 1 2 373.545 2.998 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@H](C2CCCCC2)C1 ZINC001262947166 1041981668 /nfs/dbraw/zinc/98/16/68/1041981668.db2.gz GUAQVDYQFBUSFY-OTWHNJEPSA-N 1 2 373.545 2.998 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCc2c(O)cccc2C1 ZINC001262951930 1041984484 /nfs/dbraw/zinc/98/44/84/1041984484.db2.gz FAJULPHHOXNORA-UHFFFAOYSA-N 1 2 353.470 2.718 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC2(CCC2)C1 ZINC001262977436 1042004052 /nfs/dbraw/zinc/00/40/52/1042004052.db2.gz FQWYBSMWHILOMM-UHFFFAOYSA-N 1 2 354.502 2.938 20 30 FFEDLO C=CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(CC)o2)C1)c1ccccc1 ZINC001216806137 1042127271 /nfs/dbraw/zinc/12/72/71/1042127271.db2.gz CYZKXHNUSSSFTG-BPQIPLTHSA-N 1 2 368.481 2.928 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnn2)C1 ZINC001216810108 1042130480 /nfs/dbraw/zinc/13/04/80/1042130480.db2.gz BQXXTVYVOOFXQD-HHXXYDBFSA-N 1 2 370.522 2.910 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCOC2(CCCCC2)C1 ZINC001263287305 1042222228 /nfs/dbraw/zinc/22/22/28/1042222228.db2.gz CTMDLMNBPWATOA-UHFFFAOYSA-N 1 2 359.518 2.990 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CC[C@H](CF)C1 ZINC001263343006 1042251468 /nfs/dbraw/zinc/25/14/68/1042251468.db2.gz LTSLFSHKLBMTTJ-IKGGRYGDSA-N 1 2 363.481 2.576 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CC[C@H](CF)C1 ZINC001263343006 1042251470 /nfs/dbraw/zinc/25/14/70/1042251470.db2.gz LTSLFSHKLBMTTJ-IKGGRYGDSA-N 1 2 363.481 2.576 20 30 FFEDLO C[C@H](Cc1ccco1)C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001263660659 1042423425 /nfs/dbraw/zinc/42/34/25/1042423425.db2.gz LRQRLBMIXSPQAQ-MRXNPFEDSA-N 1 2 373.474 2.947 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCC(C)C)C1 ZINC001264035728 1042589102 /nfs/dbraw/zinc/58/91/02/1042589102.db2.gz USVAVGIOKQNMNJ-WOJBJXKFSA-N 1 2 371.525 2.699 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCC(C)C)C1 ZINC001264035728 1042589105 /nfs/dbraw/zinc/58/91/05/1042589105.db2.gz USVAVGIOKQNMNJ-WOJBJXKFSA-N 1 2 371.525 2.699 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)CC[C@@H]2C1 ZINC001264094653 1042622659 /nfs/dbraw/zinc/62/26/59/1042622659.db2.gz OQRNCHGZWCAVRE-ZACQAIPSSA-N 1 2 359.518 2.811 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)CC[C@@H]2C1 ZINC001264094653 1042622663 /nfs/dbraw/zinc/62/26/63/1042622663.db2.gz OQRNCHGZWCAVRE-ZACQAIPSSA-N 1 2 359.518 2.811 20 30 FFEDLO CC(C)C#CC(=O)N[C@H]1CC[N@H+](Cc2ccn(-c3ccccc3F)n2)[C@@H]1C ZINC001264140854 1042634283 /nfs/dbraw/zinc/63/42/83/1042634283.db2.gz VKUAUMPHDCBXIO-APWZRJJASA-N 1 2 368.456 2.750 20 30 FFEDLO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](Cc2ccn(-c3ccccc3F)n2)[C@@H]1C ZINC001264140854 1042634285 /nfs/dbraw/zinc/63/42/85/1042634285.db2.gz VKUAUMPHDCBXIO-APWZRJJASA-N 1 2 368.456 2.750 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@@H+](Cc2csc(CCC)n2)[C@@H]1CC ZINC001264606467 1042739877 /nfs/dbraw/zinc/73/98/77/1042739877.db2.gz QOXCQFMDFFYHJQ-FRQCXROJSA-N 1 2 365.543 2.892 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@H+](Cc2csc(CCC)n2)[C@@H]1CC ZINC001264606467 1042739882 /nfs/dbraw/zinc/73/98/82/1042739882.db2.gz QOXCQFMDFFYHJQ-FRQCXROJSA-N 1 2 365.543 2.892 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(F)cc2)[C@@H]1C ZINC001264715298 1042797444 /nfs/dbraw/zinc/79/74/44/1042797444.db2.gz TUJSTHGMNZMQKU-QAPCUYQASA-N 1 2 359.445 2.537 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(F)cc2)[C@@H]1C ZINC001264715298 1042797449 /nfs/dbraw/zinc/79/74/49/1042797449.db2.gz TUJSTHGMNZMQKU-QAPCUYQASA-N 1 2 359.445 2.537 20 30 FFEDLO N#CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(Cl)cc2)CCOCC1 ZINC001279144737 1042918442 /nfs/dbraw/zinc/91/84/42/1042918442.db2.gz NUTYHJFQNIJLRU-HDICACEKSA-N 1 2 373.884 2.836 20 30 FFEDLO N#CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(Cl)cc2)CCOCC1 ZINC001279144737 1042918445 /nfs/dbraw/zinc/91/84/45/1042918445.db2.gz NUTYHJFQNIJLRU-HDICACEKSA-N 1 2 373.884 2.836 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1n[nH]c3cc(OC)ccc31)CC2 ZINC001237390073 1043134891 /nfs/dbraw/zinc/13/48/91/1043134891.db2.gz OYELRGUCJNXRBN-UHFFFAOYSA-N 1 2 367.453 2.566 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1n[nH]c3cc(OC)ccc31)CC2 ZINC001237390073 1043134894 /nfs/dbraw/zinc/13/48/94/1043134894.db2.gz OYELRGUCJNXRBN-UHFFFAOYSA-N 1 2 367.453 2.566 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2cn(C)c3ccc(C#N)cc23)Cc2ncn(C)c21 ZINC001237464647 1043182080 /nfs/dbraw/zinc/18/20/80/1043182080.db2.gz BWIUHDJLBBYFDX-QGZVFWFLSA-N 1 2 363.465 2.919 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)Cc2ncn(C)c21 ZINC001237464647 1043182084 /nfs/dbraw/zinc/18/20/84/1043182084.db2.gz BWIUHDJLBBYFDX-QGZVFWFLSA-N 1 2 363.465 2.919 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2cn(C)c3ccc(C#N)cc23)Cc2ncn(C)c21 ZINC001237464642 1043182651 /nfs/dbraw/zinc/18/26/51/1043182651.db2.gz BWIUHDJLBBYFDX-KRWDZBQOSA-N 1 2 363.465 2.919 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)Cc2ncn(C)c21 ZINC001237464642 1043182656 /nfs/dbraw/zinc/18/26/56/1043182656.db2.gz BWIUHDJLBBYFDX-KRWDZBQOSA-N 1 2 363.465 2.919 20 30 FFEDLO Cc1ncsc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(C#N)cc1O ZINC001279497841 1043189747 /nfs/dbraw/zinc/18/97/47/1043189747.db2.gz NPQQLCUDLNKDEL-IRXDYDNUSA-N 1 2 354.479 2.878 20 30 FFEDLO Cc1ncsc1C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(C#N)cc1O ZINC001279497841 1043189751 /nfs/dbraw/zinc/18/97/51/1043189751.db2.gz NPQQLCUDLNKDEL-IRXDYDNUSA-N 1 2 354.479 2.878 20 30 FFEDLO Cc1ncsc1C[N@@H+]1CCO[C@]2(CCCN(Cc3[nH]ccc3C#N)C2)C1 ZINC001279688449 1043469427 /nfs/dbraw/zinc/46/94/27/1043469427.db2.gz QYEBONJAZISQEU-IBGZPJMESA-N 1 2 371.510 2.518 20 30 FFEDLO Cc1ncsc1C[N@H+]1CCO[C@]2(CCCN(Cc3[nH]ccc3C#N)C2)C1 ZINC001279688449 1043469433 /nfs/dbraw/zinc/46/94/33/1043469433.db2.gz QYEBONJAZISQEU-IBGZPJMESA-N 1 2 371.510 2.518 20 30 FFEDLO C=CCCCCC[N@@H+]1Cc2ccnn2CC[C@H]1C(=O)NC1(C#N)CCC1 ZINC001279830321 1043734911 /nfs/dbraw/zinc/73/49/11/1043734911.db2.gz WZDCXPLKDDFDGS-SFHVURJKSA-N 1 2 355.486 2.766 20 30 FFEDLO C=CCCCCC[N@H+]1Cc2ccnn2CC[C@H]1C(=O)NC1(C#N)CCC1 ZINC001279830321 1043734923 /nfs/dbraw/zinc/73/49/23/1043734923.db2.gz WZDCXPLKDDFDGS-SFHVURJKSA-N 1 2 355.486 2.766 20 30 FFEDLO CCCCCCCC[N@@H+]1CCc2n[nH]c(C(=O)NCc3cnc[nH]3)c2C1 ZINC001279871816 1043813284 /nfs/dbraw/zinc/81/32/84/1043813284.db2.gz ZRAIUISYLYMFFR-UHFFFAOYSA-N 1 2 358.490 2.781 20 30 FFEDLO CCCCCCCC[N@H+]1CCc2n[nH]c(C(=O)NCc3cnc[nH]3)c2C1 ZINC001279871816 1043813307 /nfs/dbraw/zinc/81/33/07/1043813307.db2.gz ZRAIUISYLYMFFR-UHFFFAOYSA-N 1 2 358.490 2.781 20 30 FFEDLO N#CC1(NC(=O)[C@@H]2CC23C[NH+](Cc2ccccc2Br)C3)CCC1 ZINC001279944835 1043961753 /nfs/dbraw/zinc/96/17/53/1043961753.db2.gz PWSNWSLRBLFOJV-AWEZNQCLSA-N 1 2 374.282 2.833 20 30 FFEDLO N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H]3Cc4c[nH+]cn4C3)c2)s1 ZINC001312056113 1044030420 /nfs/dbraw/zinc/03/04/20/1044030420.db2.gz OELGLMJFHRGRBW-OAHLLOKOSA-N 1 2 363.446 2.907 20 30 FFEDLO C=C(C)COc1ccccc1C[N@@H+]1CC[C@H]2C[C@]21C(=O)Nc1cn[nH]c1 ZINC001279994146 1044056181 /nfs/dbraw/zinc/05/61/81/1044056181.db2.gz IRRQPHTWOWULFN-OXJNMPFZSA-N 1 2 352.438 2.968 20 30 FFEDLO C=C(C)COc1ccccc1C[N@H+]1CC[C@H]2C[C@]21C(=O)Nc1cn[nH]c1 ZINC001279994146 1044056195 /nfs/dbraw/zinc/05/61/95/1044056195.db2.gz IRRQPHTWOWULFN-OXJNMPFZSA-N 1 2 352.438 2.968 20 30 FFEDLO Cc1cccc(C)c1C[NH+]1CC2(C1)CC[C@@H](C(=O)NC1(C#N)CCC1)O2 ZINC001280015789 1044090493 /nfs/dbraw/zinc/09/04/93/1044090493.db2.gz BZAYVNKLSPJTJI-SFHVURJKSA-N 1 2 353.466 2.599 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC(=O)c1cccc(C#N)c1 ZINC001280023330 1044099341 /nfs/dbraw/zinc/09/93/41/1044099341.db2.gz VKNNSJGMRCNQGM-HDICACEKSA-N 1 2 366.490 2.855 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC(=O)c1cccc(C#N)c1 ZINC001280023330 1044099357 /nfs/dbraw/zinc/09/93/57/1044099357.db2.gz VKNNSJGMRCNQGM-HDICACEKSA-N 1 2 366.490 2.855 20 30 FFEDLO N#Cc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccc[nH]4)C[C@H](C2)O3)c(Cl)c1 ZINC001280037848 1044119276 /nfs/dbraw/zinc/11/92/76/1044119276.db2.gz DKTDZHFGBNMHNY-HDICACEKSA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccc[nH]4)C[C@H](C2)O3)c(Cl)c1 ZINC001280037848 1044119280 /nfs/dbraw/zinc/11/92/80/1044119280.db2.gz DKTDZHFGBNMHNY-HDICACEKSA-N 1 2 356.857 2.625 20 30 FFEDLO C[C@H](C[N@@H+]1CCc2cc(C(=O)NC3(C#N)CCC3)[nH]c2C1)C(F)(F)F ZINC001280066234 1044158259 /nfs/dbraw/zinc/15/82/59/1044158259.db2.gz FGYQYYCZFJHDLC-LLVKDONJSA-N 1 2 354.376 2.747 20 30 FFEDLO C[C@H](C[N@H+]1CCc2cc(C(=O)NC3(C#N)CCC3)[nH]c2C1)C(F)(F)F ZINC001280066234 1044158266 /nfs/dbraw/zinc/15/82/66/1044158266.db2.gz FGYQYYCZFJHDLC-LLVKDONJSA-N 1 2 354.376 2.747 20 30 FFEDLO N#Cc1cc(CN2C[C@@H]3C[N@@H+](Cc4ccc[nH]4)C[C@H](C2)O3)ccc1Cl ZINC001280073495 1044173342 /nfs/dbraw/zinc/17/33/42/1044173342.db2.gz DAHFEZQGVBGFMM-HDICACEKSA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1cc(CN2C[C@@H]3C[N@H+](Cc4ccc[nH]4)C[C@H](C2)O3)ccc1Cl ZINC001280073495 1044173346 /nfs/dbraw/zinc/17/33/46/1044173346.db2.gz DAHFEZQGVBGFMM-HDICACEKSA-N 1 2 356.857 2.625 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)C1 ZINC001313292676 1044301754 /nfs/dbraw/zinc/30/17/54/1044301754.db2.gz SRTBPJUMOCYPFT-SJORKVTESA-N 1 2 357.502 2.520 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)C1 ZINC001313292676 1044301760 /nfs/dbraw/zinc/30/17/60/1044301760.db2.gz SRTBPJUMOCYPFT-SJORKVTESA-N 1 2 357.502 2.520 20 30 FFEDLO N#CC1(NC(=O)[C@]23C[C@H]2CC[N@H+]3Cc2c3cc[nH]c3ncc2Cl)CCC1 ZINC001280224865 1044422398 /nfs/dbraw/zinc/42/23/98/1044422398.db2.gz YFXSZBXFBLHWDZ-BLVKFPJESA-N 1 2 369.856 2.695 20 30 FFEDLO N#CC1(NC(=O)[C@]23C[C@H]2CC[N@@H+]3Cc2c3cc[nH]c3ncc2Cl)CCC1 ZINC001280224865 1044422403 /nfs/dbraw/zinc/42/24/03/1044422403.db2.gz YFXSZBXFBLHWDZ-BLVKFPJESA-N 1 2 369.856 2.695 20 30 FFEDLO C=CCOc1ccccc1C[N@@H+]1CC[C@H]2C[C@]21C(=O)NC1(C#N)CCC1 ZINC001280278732 1044528779 /nfs/dbraw/zinc/52/87/79/1044528779.db2.gz QLQRBRQLTPMZNO-LAUBAEHRSA-N 1 2 351.450 2.778 20 30 FFEDLO C=CCOc1ccccc1C[N@H+]1CC[C@H]2C[C@]21C(=O)NC1(C#N)CCC1 ZINC001280278732 1044528796 /nfs/dbraw/zinc/52/87/96/1044528796.db2.gz QLQRBRQLTPMZNO-LAUBAEHRSA-N 1 2 351.450 2.778 20 30 FFEDLO Cc1nc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](NC(=O)[C@@H](C)C#N)C2)oc1C ZINC001316719581 1044598838 /nfs/dbraw/zinc/59/88/38/1044598838.db2.gz LSNXPTHHGNKYRM-GDIGMMSISA-N 1 2 366.465 2.925 20 30 FFEDLO Cc1nc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](NC(=O)[C@@H](C)C#N)C2)oc1C ZINC001316719581 1044598855 /nfs/dbraw/zinc/59/88/55/1044598855.db2.gz LSNXPTHHGNKYRM-GDIGMMSISA-N 1 2 366.465 2.925 20 30 FFEDLO Cc1noc(NC(=O)[C@H]2CC23C[NH+](Cc2ccc(C#N)cc2F)C3)c1C ZINC001280323561 1044605705 /nfs/dbraw/zinc/60/57/05/1044605705.db2.gz WQOYOINUYIILCD-OAHLLOKOSA-N 1 2 354.385 2.763 20 30 FFEDLO Cc1cc(C)cc(C[NH+]2CC3(C2)CC[C@@H](C(=O)NC2(C#N)CCC2)O3)c1 ZINC001280327238 1044613253 /nfs/dbraw/zinc/61/32/53/1044613253.db2.gz FWFJGJZVCNDJTK-SFHVURJKSA-N 1 2 353.466 2.599 20 30 FFEDLO CCCCCCCOC(=O)N1CCCC2(C[NH+](CC(=O)N(C)C)C2)C1 ZINC001280344888 1044634157 /nfs/dbraw/zinc/63/41/57/1044634157.db2.gz VXQMAIRSFJCFGY-UHFFFAOYSA-N 1 2 353.507 2.579 20 30 FFEDLO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)OCC(=O)N(C)C(C)(C)C#N)c1 ZINC001319040815 1044998070 /nfs/dbraw/zinc/99/80/70/1044998070.db2.gz FCLGVVYVVUROLQ-GOSISDBHSA-N 1 2 371.481 2.653 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)OCC(=O)N(C)C(C)(C)C#N)c1 ZINC001319040815 1044998085 /nfs/dbraw/zinc/99/80/85/1044998085.db2.gz FCLGVVYVVUROLQ-GOSISDBHSA-N 1 2 371.481 2.653 20 30 FFEDLO CCC[C@@H]1C[C@H]1C(=O)NC[C@H]1c2ccccc2CC[N@H+]1CC#CCOC ZINC001281778284 1045113666 /nfs/dbraw/zinc/11/36/66/1045113666.db2.gz YJLFZQOOPGQDTO-NRSPTQNISA-N 1 2 354.494 2.788 20 30 FFEDLO CCC[C@@H]1C[C@H]1C(=O)NC[C@H]1c2ccccc2CC[N@@H+]1CC#CCOC ZINC001281778284 1045113669 /nfs/dbraw/zinc/11/36/69/1045113669.db2.gz YJLFZQOOPGQDTO-NRSPTQNISA-N 1 2 354.494 2.788 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001539430868 1070637223 /nfs/dbraw/zinc/63/72/23/1070637223.db2.gz MZUUMASWQUUYJL-GUDVDZBRSA-N 1 2 373.545 2.608 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CCc2ccsc2)CC1 ZINC001539447803 1070639717 /nfs/dbraw/zinc/63/97/17/1070639717.db2.gz WIDNFNKLOJOMIO-UHFFFAOYSA-N 1 2 355.511 2.605 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2CC(C)(C)C(F)(F)F)CC1 ZINC001539452799 1070640599 /nfs/dbraw/zinc/64/05/99/1070640599.db2.gz YTWXCHCWLYEQMI-UHFFFAOYSA-N 1 2 371.451 2.820 20 30 FFEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O ZINC001320139178 1045354535 /nfs/dbraw/zinc/35/45/35/1045354535.db2.gz AEGLMFJJLYWDRN-SFHVURJKSA-N 1 2 363.820 2.549 20 30 FFEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O ZINC001320139178 1045354540 /nfs/dbraw/zinc/35/45/40/1045354540.db2.gz AEGLMFJJLYWDRN-SFHVURJKSA-N 1 2 363.820 2.549 20 30 FFEDLO C=C(C)CCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001282201333 1045416013 /nfs/dbraw/zinc/41/60/13/1045416013.db2.gz LEMDCBWTHGLEKB-KURKYZTESA-N 1 2 360.502 2.934 20 30 FFEDLO Cc1cc(C)c(C(=O)N2C[C@H]3CCN(C(=O)C#CC(C)C)C[C@H]3C2)c(C)[nH+]1 ZINC001282301042 1045488103 /nfs/dbraw/zinc/48/81/03/1045488103.db2.gz OLAAICOEVBGKOA-MOPGFXCFSA-N 1 2 367.493 2.587 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1C1CC1)C1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC001324427207 1046021857 /nfs/dbraw/zinc/02/18/57/1046021857.db2.gz VCGZCBWUIQIHHY-RBUKOAKNSA-N 1 2 355.482 2.764 20 30 FFEDLO C=CCN(C)c1nnc(-c2cccn2C)n1CCCNc1cccc[nH+]1 ZINC001540066657 1070755435 /nfs/dbraw/zinc/75/54/35/1070755435.db2.gz ZUKMQQVOLSDALL-UHFFFAOYSA-N 1 2 351.458 2.803 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc(C)cc2C(=O)OCC)C1 ZINC001325227453 1046426152 /nfs/dbraw/zinc/42/61/52/1046426152.db2.gz FMNJLXDEXTYFJK-KBPBESRZSA-N 1 2 366.483 2.837 20 30 FFEDLO C=CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc(C)cc2C(=O)OCC)C1 ZINC001325227453 1046426154 /nfs/dbraw/zinc/42/61/54/1046426154.db2.gz FMNJLXDEXTYFJK-KBPBESRZSA-N 1 2 366.483 2.837 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CC2(CC)CCC2)CC1 ZINC001286482035 1047122997 /nfs/dbraw/zinc/12/29/97/1047122997.db2.gz ZERMHTMIERLTNM-SFHVURJKSA-N 1 2 371.529 2.508 20 30 FFEDLO N#Cc1cnn2cc(C[NH+]3CCC(C(=O)c4cccs4)CC3)cnc12 ZINC001332436888 1048395722 /nfs/dbraw/zinc/39/57/22/1048395722.db2.gz UDFZYIXXPAVWEA-UHFFFAOYSA-N 1 2 351.435 2.757 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](C(=O)NC2CC2)C1 ZINC001328754827 1048451431 /nfs/dbraw/zinc/45/14/31/1048451431.db2.gz BPFIRNAWGBNCTO-ZDUSSCGKSA-N 1 2 362.271 2.811 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](C(=O)NC2CC2)C1 ZINC001328754827 1048451437 /nfs/dbraw/zinc/45/14/37/1048451437.db2.gz BPFIRNAWGBNCTO-ZDUSSCGKSA-N 1 2 362.271 2.811 20 30 FFEDLO CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291532100 1048697314 /nfs/dbraw/zinc/69/73/14/1048697314.db2.gz MJXWGEAWORGWAR-QKLQHJQFSA-N 1 2 374.533 2.642 20 30 FFEDLO CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001291532100 1048697322 /nfs/dbraw/zinc/69/73/22/1048697322.db2.gz MJXWGEAWORGWAR-QKLQHJQFSA-N 1 2 374.533 2.642 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC001293712558 1049613209 /nfs/dbraw/zinc/61/32/09/1049613209.db2.gz IAIHJRYDANVFTR-UHFFFAOYSA-N 1 2 363.417 2.511 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC001293712558 1049613215 /nfs/dbraw/zinc/61/32/15/1049613215.db2.gz IAIHJRYDANVFTR-UHFFFAOYSA-N 1 2 363.417 2.511 20 30 FFEDLO CCN(CC)c1ccc(Cn2c(C)nnc2N2CCC(C#N)CC2)c[nH+]1 ZINC001295409626 1049925139 /nfs/dbraw/zinc/92/51/39/1049925139.db2.gz GFTUVORXGVKYLU-UHFFFAOYSA-N 1 2 353.474 2.616 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)Cc1ncc(Cl)n1C ZINC001341903904 1050503142 /nfs/dbraw/zinc/50/31/42/1050503142.db2.gz ONRCQIWJWHESQH-CYBMUJFWSA-N 1 2 363.897 2.644 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)Cc1ncc(Cl)n1C ZINC001341903904 1050503157 /nfs/dbraw/zinc/50/31/57/1050503157.db2.gz ONRCQIWJWHESQH-CYBMUJFWSA-N 1 2 363.897 2.644 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001340194669 1050602934 /nfs/dbraw/zinc/60/29/34/1050602934.db2.gz CIGBHWUOIXWHMR-MHORFTMASA-N 1 2 357.502 2.626 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001340194669 1050602940 /nfs/dbraw/zinc/60/29/40/1050602940.db2.gz CIGBHWUOIXWHMR-MHORFTMASA-N 1 2 357.502 2.626 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@@H](CF)C1 ZINC001340195936 1050604425 /nfs/dbraw/zinc/60/44/25/1050604425.db2.gz QHSQMXWWCJCGQM-ULQDDVLXSA-N 1 2 363.481 2.576 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@@H](CF)C1 ZINC001340195936 1050604426 /nfs/dbraw/zinc/60/44/26/1050604426.db2.gz QHSQMXWWCJCGQM-ULQDDVLXSA-N 1 2 363.481 2.576 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001340205197 1050614026 /nfs/dbraw/zinc/61/40/26/1050614026.db2.gz KYJHIJOYLXZHEB-FUHWJXTLSA-N 1 2 371.485 2.833 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001340205197 1050614030 /nfs/dbraw/zinc/61/40/30/1050614030.db2.gz KYJHIJOYLXZHEB-FUHWJXTLSA-N 1 2 371.485 2.833 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC=C(Br)C1 ZINC001340298217 1050698568 /nfs/dbraw/zinc/69/85/68/1050698568.db2.gz YOKVTLHXULUQJE-UHFFFAOYSA-N 1 2 366.307 2.939 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC[C@H](c2cccc(C)c2)C1 ZINC001340376151 1050770084 /nfs/dbraw/zinc/77/00/84/1050770084.db2.gz WDVFVNKUDZONQZ-FHWLQOOXSA-N 1 2 367.497 2.504 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC[C@H](c2cccc(C)c2)C1 ZINC001340376151 1050770098 /nfs/dbraw/zinc/77/00/98/1050770098.db2.gz WDVFVNKUDZONQZ-FHWLQOOXSA-N 1 2 367.497 2.504 20 30 FFEDLO C=C(Cl)Cn1c(C(C)C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001301017235 1050793168 /nfs/dbraw/zinc/79/31/68/1050793168.db2.gz HWJPNWXFTLXYFU-UHFFFAOYSA-N 1 2 364.881 2.773 20 30 FFEDLO C=CCN(c1nnc([C@@H]2CCCOC2)n1Cc1c[nH+]ccc1OC)C1CC1 ZINC001301326985 1050870986 /nfs/dbraw/zinc/87/09/86/1050870986.db2.gz KFONJAMHDCKOFQ-OAHLLOKOSA-N 1 2 369.469 2.779 20 30 FFEDLO C=C(C)Cn1c(Nc2ccn(CC)n2)nnc1[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC001342344443 1050939440 /nfs/dbraw/zinc/93/94/40/1050939440.db2.gz NSUBEKMVUDKESH-JKSUJKDBSA-N 1 2 371.489 2.740 20 30 FFEDLO C=C(C)Cn1c(Nc2ccn(CC)n2)nnc1[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC001342344443 1050939449 /nfs/dbraw/zinc/93/94/49/1050939449.db2.gz NSUBEKMVUDKESH-JKSUJKDBSA-N 1 2 371.489 2.740 20 30 FFEDLO C=CCn1c(N2CC=C(C(C)(C)C)CC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001340569727 1050956439 /nfs/dbraw/zinc/95/64/39/1050956439.db2.gz DTZAYXBJBIRCKA-JXFKEZNVSA-N 1 2 359.518 2.558 20 30 FFEDLO C=CCn1c(N2CC=C(C(C)(C)C)CC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001340569727 1050956446 /nfs/dbraw/zinc/95/64/46/1050956446.db2.gz DTZAYXBJBIRCKA-JXFKEZNVSA-N 1 2 359.518 2.558 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](C)O[C@@H](C)C1 ZINC001340627853 1051005318 /nfs/dbraw/zinc/00/53/18/1051005318.db2.gz QVHQKBLCFUFREL-SJORKVTESA-N 1 2 372.517 2.561 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(C(F)F)CC2)[C@H]1CC ZINC001316732924 1051586635 /nfs/dbraw/zinc/58/66/35/1051586635.db2.gz BSKBNHSEVGRGNB-WDEREUQCSA-N 1 2 351.235 2.909 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(C(F)F)CC2)[C@H]1CC ZINC001316732924 1051586647 /nfs/dbraw/zinc/58/66/47/1051586647.db2.gz BSKBNHSEVGRGNB-WDEREUQCSA-N 1 2 351.235 2.909 20 30 FFEDLO C#CCN(CC)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1Cc1cccs1 ZINC001344996669 1052188132 /nfs/dbraw/zinc/18/81/32/1052188132.db2.gz HMXILVWUSBNBQA-QGZVFWFLSA-N 1 2 373.526 2.629 20 30 FFEDLO C#CCN(CC)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1Cc1cccs1 ZINC001344996669 1052188135 /nfs/dbraw/zinc/18/81/35/1052188135.db2.gz HMXILVWUSBNBQA-QGZVFWFLSA-N 1 2 373.526 2.629 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(C)C[C@]12CCC[C@H]1OCC2 ZINC001343416004 1052217193 /nfs/dbraw/zinc/21/71/93/1052217193.db2.gz GROCCKRGICWJPR-YLJYHZDGSA-N 1 2 359.518 2.845 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC(OC(C)C)CC1 ZINC001343420921 1052220840 /nfs/dbraw/zinc/22/08/40/1052220840.db2.gz XMHSIAAECNHMDZ-UHFFFAOYSA-N 1 2 358.490 2.572 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)C[C@](C)(O)c1ccccc1 ZINC001343456984 1052244563 /nfs/dbraw/zinc/24/45/63/1052244563.db2.gz KQKNGQFPCHUNDW-NQIIRXRSSA-N 1 2 369.513 2.965 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)C[C@](C)(O)c1ccccc1 ZINC001343456984 1052244571 /nfs/dbraw/zinc/24/45/71/1052244571.db2.gz KQKNGQFPCHUNDW-NQIIRXRSSA-N 1 2 369.513 2.965 20 30 FFEDLO N#Cc1cc(F)ccc1N1CC[NH+](C[C@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC001308007511 1052382684 /nfs/dbraw/zinc/38/26/84/1052382684.db2.gz FORXPDQEKXQHJI-GDBMZVCRSA-N 1 2 357.351 2.929 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)cc3C)n2CC(C)C)CC1 ZINC001344036549 1052558398 /nfs/dbraw/zinc/55/83/98/1052558398.db2.gz SMZNCXQAMFVXHG-UHFFFAOYSA-N 1 2 351.498 2.973 20 30 FFEDLO CC(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001344122789 1052610006 /nfs/dbraw/zinc/61/00/06/1052610006.db2.gz CTVSYABBOLDMLI-YLJYHZDGSA-N 1 2 374.533 2.846 20 30 FFEDLO CC(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001344122789 1052610010 /nfs/dbraw/zinc/61/00/10/1052610010.db2.gz CTVSYABBOLDMLI-YLJYHZDGSA-N 1 2 374.533 2.846 20 30 FFEDLO Cn1cc[nH+]c1CCC(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC001345920160 1052670851 /nfs/dbraw/zinc/67/08/51/1052670851.db2.gz IGHWAUFROPJUPJ-CYBMUJFWSA-N 1 2 352.316 2.632 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCc2ccc(O)cc2C1 ZINC001345984067 1052695251 /nfs/dbraw/zinc/69/52/51/1052695251.db2.gz OEWGKNJGBGMCAE-UHFFFAOYSA-N 1 2 353.470 2.718 20 30 FFEDLO CO[C@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC(C)C)C1 ZINC001344488133 1052796959 /nfs/dbraw/zinc/79/69/59/1052796959.db2.gz BRODICJIBNVXAW-SFHVURJKSA-N 1 2 374.533 2.642 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2CCCC[N@H+]2C)n1C[C@H]1CCCO1 ZINC001344728651 1052905763 /nfs/dbraw/zinc/90/57/63/1052905763.db2.gz CCBNKBBZIOGZQI-KURKYZTESA-N 1 2 357.502 2.606 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2CCCC[N@@H+]2C)n1C[C@H]1CCCO1 ZINC001344728651 1052905769 /nfs/dbraw/zinc/90/57/69/1052905769.db2.gz CCBNKBBZIOGZQI-KURKYZTESA-N 1 2 357.502 2.606 20 30 FFEDLO Cc1nc(C[NH+]2CCC(C(=O)OCc3ccc(C#N)cn3)CC2)cs1 ZINC001344802283 1052933599 /nfs/dbraw/zinc/93/35/99/1052933599.db2.gz RFPCWYXJOXWLRD-UHFFFAOYSA-N 1 2 356.451 2.674 20 30 FFEDLO CCN(CC)c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@H]1CCCCO1 ZINC001347053605 1053576214 /nfs/dbraw/zinc/57/62/14/1053576214.db2.gz CPHZPENTFPTVEE-GOSISDBHSA-N 1 2 374.533 2.786 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H](OCC2CC2)C1 ZINC001351657268 1054942277 /nfs/dbraw/zinc/94/22/77/1054942277.db2.gz TUDIVPJXKWTKEN-SFHVURJKSA-N 1 2 359.518 2.845 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CCC(F)(F)F ZINC001351948937 1055081332 /nfs/dbraw/zinc/08/13/32/1055081332.db2.gz LJXWMURBPONJEM-UHFFFAOYSA-N 1 2 370.423 2.946 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001338196441 1055310774 /nfs/dbraw/zinc/31/07/74/1055310774.db2.gz HBVVKNLZCYGZQD-MXHNKVEKSA-N 1 2 356.470 2.509 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001338196441 1055310791 /nfs/dbraw/zinc/31/07/91/1055310791.db2.gz HBVVKNLZCYGZQD-MXHNKVEKSA-N 1 2 356.470 2.509 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC(OCCC(C)C)CC1 ZINC001356152509 1055338065 /nfs/dbraw/zinc/33/80/65/1055338065.db2.gz HGIZVCQNYZZSAL-UHFFFAOYSA-N 1 2 372.517 2.820 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001356210691 1055389067 /nfs/dbraw/zinc/38/90/67/1055389067.db2.gz ORHRMRBCEWGDSI-ROUUACIJSA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001356210691 1055389081 /nfs/dbraw/zinc/38/90/81/1055389081.db2.gz ORHRMRBCEWGDSI-ROUUACIJSA-N 1 2 359.518 2.874 20 30 FFEDLO CCn1c(CCCCC#N)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001356332313 1055458448 /nfs/dbraw/zinc/45/84/48/1055458448.db2.gz BDZINUFCPKDOHX-UHFFFAOYSA-N 1 2 353.474 2.558 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@@H](C)C[C@H]1C ZINC001356381574 1055480306 /nfs/dbraw/zinc/48/03/06/1055480306.db2.gz PDUCMELSBSPFNQ-IAGOWNOFSA-N 1 2 361.534 2.683 20 30 FFEDLO O=C(/C=C/c1ccc[nH]1)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001350311771 1055719207 /nfs/dbraw/zinc/71/92/07/1055719207.db2.gz PFSNOEIGDREIHA-AATRIKPKSA-N 1 2 356.447 2.517 20 30 FFEDLO C=CCCC1(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCCC2)CC1 ZINC001357036482 1055751717 /nfs/dbraw/zinc/75/17/17/1055751717.db2.gz AKUOOEOWRDDUOE-HZPDHXFCSA-N 1 2 370.497 2.805 20 30 FFEDLO C=CCCC1(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCCC2)CC1 ZINC001357036482 1055751725 /nfs/dbraw/zinc/75/17/25/1055751725.db2.gz AKUOOEOWRDDUOE-HZPDHXFCSA-N 1 2 370.497 2.805 20 30 FFEDLO C=CCn1c(-c2ncoc2C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001338790370 1055817846 /nfs/dbraw/zinc/81/78/46/1055817846.db2.gz DJOZYBQHXSQUHE-UHFFFAOYSA-N 1 2 365.441 2.903 20 30 FFEDLO C=CCn1c(CCOCC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001338894768 1055912128 /nfs/dbraw/zinc/91/21/28/1055912128.db2.gz BDJPIDSZXZMGKL-UHFFFAOYSA-N 1 2 356.474 2.519 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC001338963975 1055970777 /nfs/dbraw/zinc/97/07/77/1055970777.db2.gz VOKDTSXSRHKQCK-UHOSZYNNSA-N 1 2 373.545 2.683 20 30 FFEDLO CC(C)Cn1c([C@H]2C[C@@H]2C#N)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001357947631 1056076420 /nfs/dbraw/zinc/07/64/20/1056076420.db2.gz UVUZDRABUKJZHI-CVEARBPZSA-N 1 2 365.485 2.585 20 30 FFEDLO C=CCn1c(N2CCC(C(C)(C)C)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001339195193 1056189491 /nfs/dbraw/zinc/18/94/91/1056189491.db2.gz GKEPIRNQBVBYIO-OXJNMPFZSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC(C(C)(C)C)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339195193 1056189497 /nfs/dbraw/zinc/18/94/97/1056189497.db2.gz GKEPIRNQBVBYIO-OXJNMPFZSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CC[C@@H]1N(c2nnc([C@]3(C)C[C@H](O)C[N@H+]3C)n2CC=C)CCCC1(C)C ZINC001339198069 1056193766 /nfs/dbraw/zinc/19/37/66/1056193766.db2.gz UXJHQQRAOPDDMC-FIKGOQFSSA-N 1 2 373.545 2.947 20 30 FFEDLO C=CC[C@@H]1N(c2nnc([C@]3(C)C[C@H](O)C[N@@H+]3C)n2CC=C)CCCC1(C)C ZINC001339198069 1056193776 /nfs/dbraw/zinc/19/37/76/1056193776.db2.gz UXJHQQRAOPDDMC-FIKGOQFSSA-N 1 2 373.545 2.947 20 30 FFEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001339299983 1056304698 /nfs/dbraw/zinc/30/46/98/1056304698.db2.gz HOSJPFPJXUDGLO-SJORKVTESA-N 1 2 360.502 2.815 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(CC)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001300310767 1056441697 /nfs/dbraw/zinc/44/16/97/1056441697.db2.gz OKOXGHMEJZFYTR-INIZCTEOSA-N 1 2 352.486 2.732 20 30 FFEDLO C#Cc1ccc(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c(Cl)c1 ZINC001339532999 1056556679 /nfs/dbraw/zinc/55/66/79/1056556679.db2.gz LBDUEKNUQZLDBD-MRXNPFEDSA-N 1 2 372.856 2.687 20 30 FFEDLO C#CCCCCn1c(CC2CC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001358915193 1056597343 /nfs/dbraw/zinc/59/73/43/1056597343.db2.gz VLDDCEJGWVVDKT-UHFFFAOYSA-N 1 2 364.497 2.756 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3ccc(C)c(C#N)c3)C2)cc1 ZINC001544668529 1071676123 /nfs/dbraw/zinc/67/61/23/1071676123.db2.gz AWWWZBZGHDSGRX-NRFANRHFSA-N 1 2 363.461 2.806 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)c3ccc(C)c(C#N)c3)C2)cc1 ZINC001544668529 1071676126 /nfs/dbraw/zinc/67/61/26/1071676126.db2.gz AWWWZBZGHDSGRX-NRFANRHFSA-N 1 2 363.461 2.806 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCCC1 ZINC001353788394 1058221633 /nfs/dbraw/zinc/22/16/33/1058221633.db2.gz ITXWPEMJBDWJPY-YYIAUSFCSA-N 1 2 370.497 2.803 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCCC1 ZINC001353788394 1058221645 /nfs/dbraw/zinc/22/16/45/1058221645.db2.gz ITXWPEMJBDWJPY-YYIAUSFCSA-N 1 2 370.497 2.803 20 30 FFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H](C#N)CCc2ccccc2)C1 ZINC001445621443 1058425284 /nfs/dbraw/zinc/42/52/84/1058425284.db2.gz ARPCZLPEKIQOMZ-RTBURBONSA-N 1 2 350.466 2.974 20 30 FFEDLO CCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1cn2ccccc2[nH+]1 ZINC001513885343 1058645645 /nfs/dbraw/zinc/64/56/45/1058645645.db2.gz SITFBBKVBQKLRI-FQEVSTJZSA-N 1 2 363.469 2.861 20 30 FFEDLO CON(C)c1nnc(-c2ccc(C#N)cc2)n1CCc1cn2ccccc2[nH+]1 ZINC001519461190 1058759425 /nfs/dbraw/zinc/75/94/25/1058759425.db2.gz KKHZNMSOPKUKTN-UHFFFAOYSA-N 1 2 373.420 2.705 20 30 FFEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCOC1 ZINC001519584116 1058853247 /nfs/dbraw/zinc/85/32/47/1058853247.db2.gz OTIFYNYXTWFNPA-MSOLQXFVSA-N 1 2 372.517 2.601 20 30 FFEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCOC1 ZINC001519584116 1058853275 /nfs/dbraw/zinc/85/32/75/1058853275.db2.gz OTIFYNYXTWFNPA-MSOLQXFVSA-N 1 2 372.517 2.601 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001514365372 1058889227 /nfs/dbraw/zinc/88/92/27/1058889227.db2.gz DVZSBCPCDYLHBM-QZTJIDSGSA-N 1 2 355.482 2.968 20 30 FFEDLO COCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCCC(C)(C)C1 ZINC001514681070 1059052706 /nfs/dbraw/zinc/05/27/06/1059052706.db2.gz NBZTZMSDNCOMIJ-UHFFFAOYSA-N 1 2 374.533 2.644 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001515018632 1059227736 /nfs/dbraw/zinc/22/77/36/1059227736.db2.gz CGNMFDOFFSLFKB-MRXNPFEDSA-N 1 2 371.489 2.525 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001300682889 1059319040 /nfs/dbraw/zinc/31/90/40/1059319040.db2.gz KLEAXQONYLKZBG-LSDHHAIUSA-N 1 2 355.408 2.635 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CC[C@@H](F)C2)CC1 ZINC001300692244 1059362081 /nfs/dbraw/zinc/36/20/81/1059362081.db2.gz APTSSWKTSCXAJE-IEBWSBKVSA-N 1 2 367.472 2.839 20 30 FFEDLO C=CCN(C)c1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1CC=C ZINC001520336322 1059619545 /nfs/dbraw/zinc/61/95/45/1059619545.db2.gz DYVAEQLBRUYAGR-SFHVURJKSA-N 1 2 353.470 2.660 20 30 FFEDLO C=CCN(C)c1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1CC=C ZINC001520336322 1059619550 /nfs/dbraw/zinc/61/95/50/1059619550.db2.gz DYVAEQLBRUYAGR-SFHVURJKSA-N 1 2 353.470 2.660 20 30 FFEDLO C#CCN(C)c1nnc([C@H](C)CC)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001507601614 1059650881 /nfs/dbraw/zinc/65/08/81/1059650881.db2.gz SSIGPPIIWNDPRF-MRXNPFEDSA-N 1 2 352.486 2.905 20 30 FFEDLO N#Cc1ccccc1C(F)(F)C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001455442146 1059787400 /nfs/dbraw/zinc/78/74/00/1059787400.db2.gz QBWKAZATIAOTLZ-KRWDZBQOSA-N 1 2 359.351 2.962 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)[C@@H]1C ZINC001520736796 1060018245 /nfs/dbraw/zinc/01/82/45/1060018245.db2.gz NSOQCZWGUTZANV-JZXOWHBKSA-N 1 2 358.486 2.708 20 30 FFEDLO Cc1ccc2[nH+]c(CSCC(=O)NCC#C[C@H]3CCCCO3)cn2c1 ZINC001457034377 1060257848 /nfs/dbraw/zinc/25/78/48/1060257848.db2.gz VDRWACCHTHMNQW-QGZVFWFLSA-N 1 2 357.479 2.565 20 30 FFEDLO C=CCC1(C(=O)N(C)C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001510651006 1060258083 /nfs/dbraw/zinc/25/80/83/1060258083.db2.gz DFVFUAXYXIJHGD-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCC1(C(=O)N(C)C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001510651006 1060258099 /nfs/dbraw/zinc/25/80/99/1060258099.db2.gz DFVFUAXYXIJHGD-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC001512832157 1060702458 /nfs/dbraw/zinc/70/24/58/1060702458.db2.gz XVUCWGDWUIVYFX-XYJFISCASA-N 1 2 366.465 2.610 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC001355941429 1060745778 /nfs/dbraw/zinc/74/57/78/1060745778.db2.gz GLRFPEVWZDULPZ-KDOFPFPSSA-N 1 2 369.460 2.699 20 30 FFEDLO CC[C@](O)(C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C(F)(F)F ZINC001459936981 1060854182 /nfs/dbraw/zinc/85/41/82/1060854182.db2.gz SGGDSVOIFJEUHC-HOTGVXAUSA-N 1 2 359.367 2.711 20 30 FFEDLO C#CC[N@@H+](CC(=O)NCCOc1cccc(Cl)c1)Cc1ccccc1 ZINC001460077125 1060891531 /nfs/dbraw/zinc/89/15/31/1060891531.db2.gz YEVKWQSBOHPVSU-UHFFFAOYSA-N 1 2 356.853 2.970 20 30 FFEDLO C#CC[N@H+](CC(=O)NCCOc1cccc(Cl)c1)Cc1ccccc1 ZINC001460077125 1060891541 /nfs/dbraw/zinc/89/15/41/1060891541.db2.gz YEVKWQSBOHPVSU-UHFFFAOYSA-N 1 2 356.853 2.970 20 30 FFEDLO CCc1ccc([C@H]2CN(S(=O)(=O)c3cccc(CC#N)c3)CC[NH2+]2)cc1 ZINC001475809237 1061291456 /nfs/dbraw/zinc/29/14/56/1061291456.db2.gz MYTGJQWLEWKPKO-HXUWFJFHSA-N 1 2 369.490 2.650 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3nccc4c3CCCC4)CC2)c1C#N ZINC001462289256 1061572967 /nfs/dbraw/zinc/57/29/67/1061572967.db2.gz JBQLCCRSWUOPCN-UHFFFAOYSA-N 1 2 353.495 2.919 20 30 FFEDLO Cc1cc(Cn2c([C@H]3CCC[N@H+]3C)nnc2N2CCC(C)(C#N)CC2)no1 ZINC001528138728 1061772130 /nfs/dbraw/zinc/77/21/30/1061772130.db2.gz XMZMLOGRXZXDDR-MRXNPFEDSA-N 1 2 369.473 2.520 20 30 FFEDLO Cc1cc(Cn2c([C@H]3CCC[N@@H+]3C)nnc2N2CCC(C)(C#N)CC2)no1 ZINC001528138728 1061772149 /nfs/dbraw/zinc/77/21/49/1061772149.db2.gz XMZMLOGRXZXDDR-MRXNPFEDSA-N 1 2 369.473 2.520 20 30 FFEDLO Cc1cc(C#N)cc(C)c1CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC001463862371 1062299953 /nfs/dbraw/zinc/29/99/53/1062299953.db2.gz NVJRFOXSPKTRJN-UHFFFAOYSA-N 1 2 363.461 2.768 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(CC)no2)C[C@H]1c1ccccc1 ZINC001479426627 1062384380 /nfs/dbraw/zinc/38/43/80/1062384380.db2.gz UDDRIRQSFYPRTC-DLBZAZTESA-N 1 2 368.481 2.928 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nc(CC)no2)C[C@H]1c1ccccc1 ZINC001479426627 1062384400 /nfs/dbraw/zinc/38/44/00/1062384400.db2.gz UDDRIRQSFYPRTC-DLBZAZTESA-N 1 2 368.481 2.928 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](Cc2cnc(Cl)s2)[C@@H]1CC ZINC001479634214 1062666976 /nfs/dbraw/zinc/66/69/76/1062666976.db2.gz XYPUNQHIPYXCHP-ZENOOKHLSA-N 1 2 357.907 2.593 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@@H+](Cc2cnc(Cl)s2)[C@@H]1CC ZINC001479634214 1062666980 /nfs/dbraw/zinc/66/69/80/1062666980.db2.gz XYPUNQHIPYXCHP-ZENOOKHLSA-N 1 2 357.907 2.593 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CCOCC2CC2)[C@H]1CC ZINC001479634991 1062671327 /nfs/dbraw/zinc/67/13/27/1062671327.db2.gz RBKNAXJINWZCDH-LSDHHAIUSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CCOCC2CC2)[C@H]1CC ZINC001479634991 1062671332 /nfs/dbraw/zinc/67/13/32/1062671332.db2.gz RBKNAXJINWZCDH-LSDHHAIUSA-N 1 2 359.308 2.681 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001531014316 1062679225 /nfs/dbraw/zinc/67/92/25/1062679225.db2.gz PTLWICPHJMTCCE-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001531014316 1062679232 /nfs/dbraw/zinc/67/92/32/1062679232.db2.gz PTLWICPHJMTCCE-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nn(C)cc3Cl)CC[C@@H]2C1 ZINC001479671450 1062780486 /nfs/dbraw/zinc/78/04/86/1062780486.db2.gz LQAYAEBRMAVMOL-CABCVRRESA-N 1 2 364.921 2.956 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nn(C)cc3Cl)CC[C@@H]2C1 ZINC001479671450 1062780508 /nfs/dbraw/zinc/78/05/08/1062780508.db2.gz LQAYAEBRMAVMOL-CABCVRRESA-N 1 2 364.921 2.956 20 30 FFEDLO CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001495564144 1063513393 /nfs/dbraw/zinc/51/33/93/1063513393.db2.gz USBSSEIICXIWAQ-SQGPQFPESA-N 1 2 374.533 2.642 20 30 FFEDLO C#CCCCCCC(=O)N(Cc1cnn[nH]1)C1CC[NH+](CC2CC2)CC1 ZINC001574867841 1078089329 /nfs/dbraw/zinc/08/93/29/1078089329.db2.gz ZDXORMQXIYEQKZ-UHFFFAOYSA-N 1 2 357.502 2.591 20 30 FFEDLO N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CC[NH+](Cc3ccsc3)CC1)C2 ZINC001471142732 1064576936 /nfs/dbraw/zinc/57/69/36/1064576936.db2.gz CEWXLVPTYLGXHD-IBGZPJMESA-N 1 2 366.490 2.614 20 30 FFEDLO C=CCCC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)C=Cc2ccco2)CC1 ZINC001575094127 1078106061 /nfs/dbraw/zinc/10/60/61/1078106061.db2.gz VAVLQBATUCEUBS-BQYQJAHWSA-N 1 2 369.469 2.870 20 30 FFEDLO CC(C)(CC#N)CS(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC001575297423 1078126924 /nfs/dbraw/zinc/12/69/24/1078126924.db2.gz CPVBRGBPJXURKK-HNNXBMFYSA-N 1 2 355.891 2.556 20 30 FFEDLO COc1ccc([C@@H]2C[N@H+](C[C@H](O)CC3(C#N)CCC3)CCO2)cc1OC ZINC001473888465 1065407490 /nfs/dbraw/zinc/40/74/90/1065407490.db2.gz MISJCTICROMMGU-APWZRJJASA-N 1 2 360.454 2.522 20 30 FFEDLO COc1ccc([C@@H]2C[N@@H+](C[C@H](O)CC3(C#N)CCC3)CCO2)cc1OC ZINC001473888465 1065407508 /nfs/dbraw/zinc/40/75/08/1065407508.db2.gz MISJCTICROMMGU-APWZRJJASA-N 1 2 360.454 2.522 20 30 FFEDLO C=CCS(=O)(=O)CC[NH2+]Cc1c(F)c(Cl)ccc1Br ZINC001474083138 1065448846 /nfs/dbraw/zinc/44/88/46/1065448846.db2.gz MFPYAMKTNUMNTG-UHFFFAOYSA-N 1 2 370.671 2.932 20 30 FFEDLO Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001583834215 1079272039 /nfs/dbraw/zinc/27/20/39/1079272039.db2.gz JUTOONFKHHUEMH-UHFFFAOYSA-N 1 2 368.462 2.768 20 30 FFEDLO C=CC1(CC(=O)NC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CCCCC1 ZINC001585036125 1079417413 /nfs/dbraw/zinc/41/74/13/1079417413.db2.gz KPBAKRNYJQDQSA-HZPDHXFCSA-N 1 2 370.497 2.805 20 30 FFEDLO C=CC1(CC(=O)NC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CCCCC1 ZINC001585036125 1079417417 /nfs/dbraw/zinc/41/74/17/1079417417.db2.gz KPBAKRNYJQDQSA-HZPDHXFCSA-N 1 2 370.497 2.805 20 30 FFEDLO CC(C)[C@@H](C(=O)Nc1nc2cc(C#N)ccc2[nH]1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001557763126 1075886278 /nfs/dbraw/zinc/88/62/78/1075886278.db2.gz ZSWMEQVIRSLBLV-XNJGSVPQSA-N 1 2 355.442 2.507 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)[C@H]2C[C@H]21 ZINC001560197804 1076245360 /nfs/dbraw/zinc/24/53/60/1076245360.db2.gz ZYFHFUZWDFNFJJ-DLBZAZTESA-N 1 2 370.453 2.580 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@H]2C[C@H]21 ZINC001560197804 1076245361 /nfs/dbraw/zinc/24/53/61/1076245361.db2.gz ZYFHFUZWDFNFJJ-DLBZAZTESA-N 1 2 370.453 2.580 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2cccc3nsnc32)C1 ZINC001560739682 1076295675 /nfs/dbraw/zinc/29/56/75/1076295675.db2.gz QVFNXWRAQDOQRY-GXTWGEPZSA-N 1 2 359.455 2.540 20 30 FFEDLO CCOC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)[nH]c1C ZINC001560973489 1076315560 /nfs/dbraw/zinc/31/55/60/1076315560.db2.gz VYIYZWCGHLVGDN-UHFFFAOYSA-N 1 2 352.438 2.694 20 30 FFEDLO CC(C)(C#N)c1ccc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC001561350562 1076366696 /nfs/dbraw/zinc/36/66/96/1076366696.db2.gz CUPVALATBHWSMR-UHFFFAOYSA-N 1 2 354.435 2.614 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)CC[C@@H]1c1ccc(F)cc1 ZINC001566003889 1076838161 /nfs/dbraw/zinc/83/81/61/1076838161.db2.gz NWRSDVPNWRJBRD-WOJBJXKFSA-N 1 2 370.472 3.000 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@@H]1c1ccc(F)cc1 ZINC001566003889 1076838163 /nfs/dbraw/zinc/83/81/63/1076838163.db2.gz NWRSDVPNWRJBRD-WOJBJXKFSA-N 1 2 370.472 3.000 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1cnc(Cl)s1 ZINC001569142336 1077131895 /nfs/dbraw/zinc/13/18/95/1077131895.db2.gz KUWGXGLFRPHLCC-XBFCOCLRSA-N 1 2 357.907 2.714 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1cnc(Cl)s1 ZINC001569142336 1077131898 /nfs/dbraw/zinc/13/18/98/1077131898.db2.gz KUWGXGLFRPHLCC-XBFCOCLRSA-N 1 2 357.907 2.714 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001574509459 1078004937 /nfs/dbraw/zinc/00/49/37/1078004937.db2.gz MQHAEIFIENOXLU-PDOICOKGSA-N 1 2 358.486 2.514 20 30 FFEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC001586601216 1079654966 /nfs/dbraw/zinc/65/49/66/1079654966.db2.gz MOHNWTGQCYNLFO-CVEARBPZSA-N 1 2 364.490 2.885 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccsc2)CC1 ZINC001588837606 1080214393 /nfs/dbraw/zinc/21/43/93/1080214393.db2.gz ZUMJYXSABSUABV-UHFFFAOYSA-N 1 2 357.527 2.732 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2CCC(C)C)CC1 ZINC001588848506 1080216857 /nfs/dbraw/zinc/21/68/57/1080216857.db2.gz IGSRPZBSAHXKOM-UHFFFAOYSA-N 1 2 365.525 2.979 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H](O)C2)c1C#N ZINC000039530020 249375591 /nfs/dbraw/zinc/37/55/91/249375591.db2.gz NRTQNEGVHIGUIT-QGZVFWFLSA-N 1 2 358.486 2.877 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@@H](O)C2)c1C#N ZINC000039530020 249375597 /nfs/dbraw/zinc/37/55/97/249375597.db2.gz NRTQNEGVHIGUIT-QGZVFWFLSA-N 1 2 358.486 2.877 20 30 FFEDLO COc1cc(C[N@H+](CC(=O)Nc2cccc(C#N)c2)C2CC2)ccc1O ZINC000102175906 250102668 /nfs/dbraw/zinc/10/26/68/250102668.db2.gz UJBNGLQCGVZUQY-UHFFFAOYSA-N 1 2 351.406 2.876 20 30 FFEDLO COc1cc(C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C2CC2)ccc1O ZINC000102175906 250102673 /nfs/dbraw/zinc/10/26/73/250102673.db2.gz UJBNGLQCGVZUQY-UHFFFAOYSA-N 1 2 351.406 2.876 20 30 FFEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000103139450 250137164 /nfs/dbraw/zinc/13/71/64/250137164.db2.gz HWOMPTJBRXNABJ-UHFFFAOYSA-N 1 2 373.453 2.640 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCSC3(CCOCC3)C2)c(C#N)c1C ZINC000186849291 251275023 /nfs/dbraw/zinc/27/50/23/251275023.db2.gz AZXISGHLFVZJLE-ZDUSSCGKSA-N 1 2 363.483 2.693 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCSC3(CCOCC3)C2)c(C#N)c1C ZINC000186849291 251275027 /nfs/dbraw/zinc/27/50/27/251275027.db2.gz AZXISGHLFVZJLE-ZDUSSCGKSA-N 1 2 363.483 2.693 20 30 FFEDLO CCC[C@@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000272647077 252089732 /nfs/dbraw/zinc/08/97/32/252089732.db2.gz ZYQYGMWJLNZGHL-VQTJNVASSA-N 1 2 355.482 2.798 20 30 FFEDLO Cc1nc(C2CC2)oc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000273534978 252325595 /nfs/dbraw/zinc/32/55/95/252325595.db2.gz INDRAMORLYBMMO-UHFFFAOYSA-N 1 2 350.422 2.690 20 30 FFEDLO C[C@H]1CCSCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000279254764 256398458 /nfs/dbraw/zinc/39/84/58/256398458.db2.gz LOWXOWULTJDZOA-AWEZNQCLSA-N 1 2 355.467 2.510 20 30 FFEDLO C[C@H]1CCSCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000279254764 256398459 /nfs/dbraw/zinc/39/84/59/256398459.db2.gz LOWXOWULTJDZOA-AWEZNQCLSA-N 1 2 355.467 2.510 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@@H](CO)C3)o2)cc1 ZINC000286473087 257038788 /nfs/dbraw/zinc/03/87/88/257038788.db2.gz LADXDCYWVJQPMF-KGLIPLIRSA-N 1 2 366.343 2.601 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](C(F)(F)F)[C@@H](CO)C3)o2)cc1 ZINC000286473087 257038789 /nfs/dbraw/zinc/03/87/89/257038789.db2.gz LADXDCYWVJQPMF-KGLIPLIRSA-N 1 2 366.343 2.601 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1C#N ZINC000287171601 257075567 /nfs/dbraw/zinc/07/55/67/257075567.db2.gz QYDZAVJLPQUICS-QAPCUYQASA-N 1 2 372.469 2.672 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)cc1F ZINC000301071250 258022501 /nfs/dbraw/zinc/02/25/01/258022501.db2.gz UJXAMYJQGADABO-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO N#Cc1ccc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000301554537 258055395 /nfs/dbraw/zinc/05/53/95/258055395.db2.gz ROOUYFCEMVUMSO-UHFFFAOYSA-N 1 2 369.856 2.757 20 30 FFEDLO CCc1nnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)c1CC ZINC000301632299 258060122 /nfs/dbraw/zinc/06/01/22/258060122.db2.gz UMXYMNGEXFJZAY-QGZVFWFLSA-N 1 2 365.481 2.786 20 30 FFEDLO CCc1nnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)c1CC ZINC000301632299 258060123 /nfs/dbraw/zinc/06/01/23/258060123.db2.gz UMXYMNGEXFJZAY-QGZVFWFLSA-N 1 2 365.481 2.786 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3C=CCCCCC3)CC2)cc1 ZINC000328764924 258119922 /nfs/dbraw/zinc/11/99/22/258119922.db2.gz OYIASWYKFYADMO-SFHVURJKSA-N 1 2 359.495 2.753 20 30 FFEDLO C[C@@H]1C[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCC1=O ZINC000328957116 258125352 /nfs/dbraw/zinc/12/53/52/258125352.db2.gz ZLNUSFMQANTJLD-VQIMIIECSA-N 1 2 353.466 2.598 20 30 FFEDLO C[C@@H]1C[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCC1=O ZINC000328957116 258125353 /nfs/dbraw/zinc/12/53/53/258125353.db2.gz ZLNUSFMQANTJLD-VQIMIIECSA-N 1 2 353.466 2.598 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3csc(C4CC4)n3)CC2)cc1 ZINC000329404134 258137799 /nfs/dbraw/zinc/13/77/99/258137799.db2.gz BISAMNFDJJRPNI-UHFFFAOYSA-N 1 2 352.463 2.850 20 30 FFEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000333093267 258249533 /nfs/dbraw/zinc/24/95/33/258249533.db2.gz ZYZYJQMXALJPOE-INIZCTEOSA-N 1 2 362.861 2.786 20 30 FFEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000333093267 258249534 /nfs/dbraw/zinc/24/95/34/258249534.db2.gz ZYZYJQMXALJPOE-INIZCTEOSA-N 1 2 362.861 2.786 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377122775 512132946 /nfs/dbraw/zinc/13/29/46/512132946.db2.gz JWIFILNGNVLUMU-IRXDYDNUSA-N 1 2 365.518 2.742 20 30 FFEDLO Cc1nc(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)ccc1C#N ZINC000032198229 506233317 /nfs/dbraw/zinc/23/33/17/506233317.db2.gz YAMUFAMLPQENNW-UHFFFAOYSA-N 1 2 354.841 2.873 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000052905092 506274680 /nfs/dbraw/zinc/27/46/80/506274680.db2.gz AMPMHEHXCIFHDH-INIZCTEOSA-N 1 2 366.440 2.842 20 30 FFEDLO Cc1noc(C2CC[NH+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CC2)n1 ZINC000053640344 506420511 /nfs/dbraw/zinc/42/05/11/506420511.db2.gz HETHIYHYPBISBV-NSHDSACASA-N 1 2 357.414 2.666 20 30 FFEDLO CC[N@@H+](CC(=O)NCCOc1cccc(C(F)(F)F)c1)C[C@H](C)C#N ZINC000066424800 506513166 /nfs/dbraw/zinc/51/31/66/506513166.db2.gz OWASPBXUUNVMOW-CYBMUJFWSA-N 1 2 357.376 2.682 20 30 FFEDLO CC[N@H+](CC(=O)NCCOc1cccc(C(F)(F)F)c1)C[C@H](C)C#N ZINC000066424800 506513173 /nfs/dbraw/zinc/51/31/73/506513173.db2.gz OWASPBXUUNVMOW-CYBMUJFWSA-N 1 2 357.376 2.682 20 30 FFEDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000369204992 512282467 /nfs/dbraw/zinc/28/24/67/512282467.db2.gz HPDJYKBXPLTCFK-MRXNPFEDSA-N 1 2 364.449 2.975 20 30 FFEDLO Cc1cc([C@H](C#N)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nc(C)n1 ZINC000041574712 506531732 /nfs/dbraw/zinc/53/17/32/506531732.db2.gz ZUWUAVYBZPXWEL-AWEZNQCLSA-N 1 2 362.349 2.677 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000042287638 506614374 /nfs/dbraw/zinc/61/43/74/506614374.db2.gz JNAWOMOAQSNOKL-JTPHSUOKSA-N 1 2 353.510 2.907 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000042287638 506614376 /nfs/dbraw/zinc/61/43/76/506614376.db2.gz JNAWOMOAQSNOKL-JTPHSUOKSA-N 1 2 353.510 2.907 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000066846490 506663237 /nfs/dbraw/zinc/66/32/37/506663237.db2.gz RBXZVHBTICTSII-OXJNMPFZSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000066846490 506663240 /nfs/dbraw/zinc/66/32/40/506663240.db2.gz RBXZVHBTICTSII-OXJNMPFZSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc(CN2CCC[N@@H+](CC(=O)NC3CCCCCC3)CC2)cc1 ZINC000055172518 506691030 /nfs/dbraw/zinc/69/10/30/506691030.db2.gz HIORNLREDSHXFA-UHFFFAOYSA-N 1 2 368.525 2.905 20 30 FFEDLO N#Cc1ccc(CN2CCC[N@H+](CC(=O)NC3CCCCCC3)CC2)cc1 ZINC000055172518 506691034 /nfs/dbraw/zinc/69/10/34/506691034.db2.gz HIORNLREDSHXFA-UHFFFAOYSA-N 1 2 368.525 2.905 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000067614538 506951917 /nfs/dbraw/zinc/95/19/17/506951917.db2.gz PZTYOQCJHIKPLG-NHCUHLMSSA-N 1 2 360.461 2.942 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3Cc4ccccc4S3)CC2)cc1 ZINC000014043607 506961721 /nfs/dbraw/zinc/96/17/21/506961721.db2.gz QNLXFLCGEXYPDY-FQEVSTJZSA-N 1 2 363.486 2.919 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000067656124 506964490 /nfs/dbraw/zinc/96/44/90/506964490.db2.gz OZJHBVOTYQATJA-MRXNPFEDSA-N 1 2 365.433 2.796 20 30 FFEDLO N#Cc1cccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000067709128 506986207 /nfs/dbraw/zinc/98/62/07/506986207.db2.gz HKLCIKROSXJSFJ-IBGZPJMESA-N 1 2 351.475 2.965 20 30 FFEDLO N#Cc1cccc([C@@H]2CN(Cc3[nH+]ccn3CC(F)(F)F)CCO2)c1 ZINC000371297660 512313918 /nfs/dbraw/zinc/31/39/18/512313918.db2.gz MRUZJZSQLZTVGH-HNNXBMFYSA-N 1 2 350.344 2.891 20 30 FFEDLO COc1ccccc1N1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000016444247 507090752 /nfs/dbraw/zinc/09/07/52/507090752.db2.gz URCGPRJKMIWHPR-KRWDZBQOSA-N 1 2 370.497 2.548 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)cc1 ZINC000017843752 507129865 /nfs/dbraw/zinc/12/98/65/507129865.db2.gz RJOLTFJEJOJNJU-UHFFFAOYSA-N 1 2 371.444 2.906 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)COc1ccccc1C#N)c1cccc(F)c1 ZINC000018236105 507146491 /nfs/dbraw/zinc/14/64/91/507146491.db2.gz SZYCZSIICIRKER-IBGZPJMESA-N 1 2 364.380 2.715 20 30 FFEDLO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000068322262 507187745 /nfs/dbraw/zinc/18/77/45/507187745.db2.gz SCMLTZLDZFFUEL-IBGZPJMESA-N 1 2 374.448 2.858 20 30 FFEDLO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000068322262 507187753 /nfs/dbraw/zinc/18/77/53/507187753.db2.gz SCMLTZLDZFFUEL-IBGZPJMESA-N 1 2 374.448 2.858 20 30 FFEDLO Cc1ccc([C@H](CNC(=O)C2(C#N)CCCCC2)[NH+]2CCOCC2)cc1 ZINC000057396849 507255323 /nfs/dbraw/zinc/25/53/23/507255323.db2.gz ABTFTSMQWBRCAP-IBGZPJMESA-N 1 2 355.482 2.959 20 30 FFEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)CC(=O)NC1(C#N)CCCCC1 ZINC000057480064 507276564 /nfs/dbraw/zinc/27/65/64/507276564.db2.gz ZGVSRHNLTDOZQO-UHFFFAOYSA-N 1 2 370.497 2.988 20 30 FFEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)CC(=O)NC1(C#N)CCCCC1 ZINC000057480064 507276568 /nfs/dbraw/zinc/27/65/68/507276568.db2.gz ZGVSRHNLTDOZQO-UHFFFAOYSA-N 1 2 370.497 2.988 20 30 FFEDLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000022981066 507323231 /nfs/dbraw/zinc/32/32/31/507323231.db2.gz KEHXKZTXIYWEGQ-UHFFFAOYSA-N 1 2 353.397 2.664 20 30 FFEDLO CCc1cccc(NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000023257810 507343485 /nfs/dbraw/zinc/34/34/85/507343485.db2.gz YHQZMKATBVLLEJ-UHFFFAOYSA-N 1 2 362.477 2.877 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000023381241 507348476 /nfs/dbraw/zinc/34/84/76/507348476.db2.gz MVTCGWCHKKWWTP-SFHVURJKSA-N 1 2 352.394 2.779 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000023381241 507348481 /nfs/dbraw/zinc/34/84/81/507348481.db2.gz MVTCGWCHKKWWTP-SFHVURJKSA-N 1 2 352.394 2.779 20 30 FFEDLO Cc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)c(C#N)c1C ZINC000024055688 507388902 /nfs/dbraw/zinc/38/89/02/507388902.db2.gz VQWHJNZFXQGNBC-UHFFFAOYSA-N 1 2 371.872 2.820 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375463874 512341779 /nfs/dbraw/zinc/34/17/79/512341779.db2.gz ALKVEBZOVFKJBW-IUODEOHRSA-N 1 2 351.410 2.635 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375463874 512341786 /nfs/dbraw/zinc/34/17/86/512341786.db2.gz ALKVEBZOVFKJBW-IUODEOHRSA-N 1 2 351.410 2.635 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)cc1 ZINC000026229966 507569904 /nfs/dbraw/zinc/56/99/04/507569904.db2.gz LKRALWQOIQWEPD-UHFFFAOYSA-N 1 2 373.460 2.576 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CSc1ccccc1Cl ZINC000060634326 507571447 /nfs/dbraw/zinc/57/14/47/507571447.db2.gz LDLKNXWZEGKTTJ-UHFFFAOYSA-N 1 2 367.902 2.507 20 30 FFEDLO C[N@H+](CC(=O)N1c2ccccc2NC(=O)C1(C)C)Cc1cccc(C#N)c1 ZINC000026325065 507576614 /nfs/dbraw/zinc/57/66/14/507576614.db2.gz ZOWPHPBIJPBEAS-UHFFFAOYSA-N 1 2 362.433 2.754 20 30 FFEDLO C[N@@H+](CC(=O)N1c2ccccc2NC(=O)C1(C)C)Cc1cccc(C#N)c1 ZINC000026325065 507576621 /nfs/dbraw/zinc/57/66/21/507576621.db2.gz ZOWPHPBIJPBEAS-UHFFFAOYSA-N 1 2 362.433 2.754 20 30 FFEDLO COc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000050107775 507661476 /nfs/dbraw/zinc/66/14/76/507661476.db2.gz YUGVODBPBOYBHL-UHFFFAOYSA-N 1 2 356.451 2.978 20 30 FFEDLO CCc1ccc(C(=O)N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)cc1 ZINC000027747077 507680249 /nfs/dbraw/zinc/68/02/49/507680249.db2.gz LJMDYDLESONTPB-UHFFFAOYSA-N 1 2 363.461 2.957 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(=O)OC)Cc1cccc(C#N)c1 ZINC000063300648 507713913 /nfs/dbraw/zinc/71/39/13/507713913.db2.gz YPXZLPLTBSTJCT-UHFFFAOYSA-N 1 2 363.417 2.972 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(=O)OC)Cc1cccc(C#N)c1 ZINC000063300648 507713920 /nfs/dbraw/zinc/71/39/20/507713920.db2.gz YPXZLPLTBSTJCT-UHFFFAOYSA-N 1 2 363.417 2.972 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1C#N ZINC000063341666 507722929 /nfs/dbraw/zinc/72/29/29/507722929.db2.gz YUHKRTCOMSDTEF-UHFFFAOYSA-N 1 2 374.510 2.765 20 30 FFEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCCn1cc[nH+]c1 ZINC000063403176 507727447 /nfs/dbraw/zinc/72/74/47/507727447.db2.gz ABBOPWMFDCLQLW-UHFFFAOYSA-N 1 2 357.414 2.969 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3cccc(F)c3)CC2)cc1 ZINC000028839507 507746641 /nfs/dbraw/zinc/74/66/41/507746641.db2.gz RCXYXPZYHWFAJF-UHFFFAOYSA-N 1 2 366.440 2.767 20 30 FFEDLO COc1ccc(OC)c(C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2CC2)c1 ZINC000028980645 507752609 /nfs/dbraw/zinc/75/26/09/507752609.db2.gz GOVXEXOBRJGGRX-FQEVSTJZSA-N 1 2 359.470 2.723 20 30 FFEDLO COc1ccc(OC)c(C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2CC2)c1 ZINC000028980645 507752615 /nfs/dbraw/zinc/75/26/15/507752615.db2.gz GOVXEXOBRJGGRX-FQEVSTJZSA-N 1 2 359.470 2.723 20 30 FFEDLO C=CCc1cc(CNC(=O)N[C@H](C)Cn2cc[nH+]c2)cc(OC)c1OC ZINC000051278668 507757364 /nfs/dbraw/zinc/75/73/64/507757364.db2.gz MIGYIVWOCFQKGZ-CQSZACIVSA-N 1 2 358.442 2.517 20 30 FFEDLO C=CCNC(=O)[C@H](C)N1CC[NH+]([C@H](C)c2nc3ccccc3s2)CC1 ZINC000029159504 507765503 /nfs/dbraw/zinc/76/55/03/507765503.db2.gz OVFNRKCTGDKAHN-LSDHHAIUSA-N 1 2 358.511 2.666 20 30 FFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000029225399 507769480 /nfs/dbraw/zinc/76/94/80/507769480.db2.gz ILPDPYBNPDAJNT-UHFFFAOYSA-N 1 2 356.401 2.764 20 30 FFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCOc2ccccc2F)CC1 ZINC000029225341 507769735 /nfs/dbraw/zinc/76/97/35/507769735.db2.gz WTRTTZYYQSCNFM-UHFFFAOYSA-N 1 2 356.401 2.764 20 30 FFEDLO CC[N@@H+](CC(=O)NCCOc1ccc(C(F)(F)F)cc1)C[C@@H](C)C#N ZINC000064249094 507787699 /nfs/dbraw/zinc/78/76/99/507787699.db2.gz DSEZFCARVFBBDE-ZDUSSCGKSA-N 1 2 357.376 2.682 20 30 FFEDLO CC[N@H+](CC(=O)NCCOc1ccc(C(F)(F)F)cc1)C[C@@H](C)C#N ZINC000064249094 507787701 /nfs/dbraw/zinc/78/77/01/507787701.db2.gz DSEZFCARVFBBDE-ZDUSSCGKSA-N 1 2 357.376 2.682 20 30 FFEDLO C=CCOc1ccc(C(=O)NCc2cccnc2-n2cc[nH+]c2)cc1OC ZINC000029913647 507795493 /nfs/dbraw/zinc/79/54/93/507795493.db2.gz BYNZBJQKSIPHTG-UHFFFAOYSA-N 1 2 364.405 2.771 20 30 FFEDLO CC(C)(C)CCNC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000052409134 507808108 /nfs/dbraw/zinc/80/81/08/507808108.db2.gz OKWAWFBZYRRADC-UHFFFAOYSA-N 1 2 356.514 2.618 20 30 FFEDLO CC(C)(C)CCNC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000052409134 507808110 /nfs/dbraw/zinc/80/81/10/507808110.db2.gz OKWAWFBZYRRADC-UHFFFAOYSA-N 1 2 356.514 2.618 20 30 FFEDLO COc1cccc(N2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000030963626 507815392 /nfs/dbraw/zinc/81/53/92/507815392.db2.gz MDHOOLXDUSBRSY-QGZVFWFLSA-N 1 2 370.497 2.548 20 30 FFEDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000031114957 507817425 /nfs/dbraw/zinc/81/74/25/507817425.db2.gz KSAXVAJNAYJNST-JXFKEZNVSA-N 1 2 358.486 2.617 20 30 FFEDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000031114957 507817426 /nfs/dbraw/zinc/81/74/26/507817426.db2.gz KSAXVAJNAYJNST-JXFKEZNVSA-N 1 2 358.486 2.617 20 30 FFEDLO CCOc1ccc(C#N)cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078095646 507834528 /nfs/dbraw/zinc/83/45/28/507834528.db2.gz MOKYRRPQPHESCZ-HXUWFJFHSA-N 1 2 365.433 2.796 20 30 FFEDLO CCOc1ccc(C#N)cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078095646 507834531 /nfs/dbraw/zinc/83/45/31/507834531.db2.gz MOKYRRPQPHESCZ-HXUWFJFHSA-N 1 2 365.433 2.796 20 30 FFEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000072693007 507843221 /nfs/dbraw/zinc/84/32/21/507843221.db2.gz ZYIXLYXMNHTISH-UHFFFAOYSA-N 1 2 370.453 2.503 20 30 FFEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000072693007 507843223 /nfs/dbraw/zinc/84/32/23/507843223.db2.gz ZYIXLYXMNHTISH-UHFFFAOYSA-N 1 2 370.453 2.503 20 30 FFEDLO C[C@@H](C(=O)NCc1cccs1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078269238 507853046 /nfs/dbraw/zinc/85/30/46/507853046.db2.gz WSDUEOYFKMJXGO-LPHOPBHVSA-N 1 2 368.506 2.635 20 30 FFEDLO Cc1nc(CC(N)=[NH+]OCc2nc([C@H](C)OCC(C)C)no2)cs1 ZINC000072920128 507873518 /nfs/dbraw/zinc/87/35/18/507873518.db2.gz BYNJIYVTPTYSGB-JTQLQIEISA-N 1 2 353.448 2.600 20 30 FFEDLO Cc1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1OC(C)C ZINC000078619166 507890546 /nfs/dbraw/zinc/89/05/46/507890546.db2.gz CCQWACZECHLMJF-UHFFFAOYSA-N 1 2 374.485 2.862 20 30 FFEDLO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108520 507894652 /nfs/dbraw/zinc/89/46/52/507894652.db2.gz GTZDWHFHIQSPAF-OAHLLOKOSA-N 1 2 360.421 2.886 20 30 FFEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C2(C#N)CCOCC2)CC1 ZINC000109139300 507942516 /nfs/dbraw/zinc/94/25/16/507942516.db2.gz JTWXMTBMBBNISS-HNNXBMFYSA-N 1 2 361.873 2.866 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCCN(CC(F)F)CC2)c1C#N ZINC000091084471 507953159 /nfs/dbraw/zinc/95/31/59/507953159.db2.gz BKYBYZPUZOWWGV-UHFFFAOYSA-N 1 2 359.424 2.825 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCCN(CC(F)F)CC2)c1C#N ZINC000091084471 507953161 /nfs/dbraw/zinc/95/31/61/507953161.db2.gz BKYBYZPUZOWWGV-UHFFFAOYSA-N 1 2 359.424 2.825 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+](CC(=O)NCCC2=CCCCC2)CC1 ZINC000073870406 507962656 /nfs/dbraw/zinc/96/26/56/507962656.db2.gz ZDMVOPSAZUEELP-UHFFFAOYSA-N 1 2 370.472 2.826 20 30 FFEDLO N#CC1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000111509564 508105732 /nfs/dbraw/zinc/10/57/32/508105732.db2.gz KSPCXVOEGCZQFY-OAHLLOKOSA-N 1 2 362.424 2.874 20 30 FFEDLO N#CC1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000111509564 508105734 /nfs/dbraw/zinc/10/57/34/508105734.db2.gz KSPCXVOEGCZQFY-OAHLLOKOSA-N 1 2 362.424 2.874 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CC(=O)NC2CCCCCC2)CC1 ZINC000080904270 508110089 /nfs/dbraw/zinc/11/00/89/508110089.db2.gz GAYJZTXNPFELPR-FQEVSTJZSA-N 1 2 354.498 2.708 20 30 FFEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000080905617 508110500 /nfs/dbraw/zinc/11/05/00/508110500.db2.gz RYBQLWVTKXPKLA-NSHGMRRFSA-N 1 2 354.498 2.658 20 30 FFEDLO COCC[N@H+](CCC#N)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000093099882 508121044 /nfs/dbraw/zinc/12/10/44/508121044.db2.gz UEBFNVPMOYFQTG-UHFFFAOYSA-N 1 2 370.453 2.610 20 30 FFEDLO COCC[N@@H+](CCC#N)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000093099882 508121047 /nfs/dbraw/zinc/12/10/47/508121047.db2.gz UEBFNVPMOYFQTG-UHFFFAOYSA-N 1 2 370.453 2.610 20 30 FFEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1O ZINC000080985472 508121509 /nfs/dbraw/zinc/12/15/09/508121509.db2.gz CIRZCHKORNIXJH-GFCCVEGCSA-N 1 2 357.410 2.941 20 30 FFEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1O ZINC000080985472 508121512 /nfs/dbraw/zinc/12/15/12/508121512.db2.gz CIRZCHKORNIXJH-GFCCVEGCSA-N 1 2 357.410 2.941 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)CNc1ccc(C#N)cc1)c1ccccc1 ZINC000081316897 508161298 /nfs/dbraw/zinc/16/12/98/508161298.db2.gz MVNHVEJKVWWFKA-LJQANCHMSA-N 1 2 359.433 2.804 20 30 FFEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cccc(C(=O)Nc2ccccc2)c1 ZINC000112336111 508175444 /nfs/dbraw/zinc/17/54/44/508175444.db2.gz IQUHBESFGMFPNC-UHFFFAOYSA-N 1 2 368.437 2.642 20 30 FFEDLO CCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000101549251 508244766 /nfs/dbraw/zinc/24/47/66/508244766.db2.gz VBWUDDNXJVYYIA-MGPUTAFESA-N 1 2 356.470 2.534 20 30 FFEDLO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000101549251 508244769 /nfs/dbraw/zinc/24/47/69/508244769.db2.gz VBWUDDNXJVYYIA-MGPUTAFESA-N 1 2 356.470 2.534 20 30 FFEDLO C[N@H+](Cc1ccc(F)c(F)c1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000102936660 508290145 /nfs/dbraw/zinc/29/01/45/508290145.db2.gz CDZJLONZUVBHBL-KRWDZBQOSA-N 1 2 355.344 2.600 20 30 FFEDLO C[N@@H+](Cc1ccc(F)c(F)c1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000102936660 508290148 /nfs/dbraw/zinc/29/01/48/508290148.db2.gz CDZJLONZUVBHBL-KRWDZBQOSA-N 1 2 355.344 2.600 20 30 FFEDLO COc1cc(C#N)ccc1OCCn1c2ccccc2[nH+]c1NC[C@@H](C)O ZINC000077238387 508291376 /nfs/dbraw/zinc/29/13/76/508291376.db2.gz LNGVDVKLLJNZLY-CQSZACIVSA-N 1 2 366.421 2.788 20 30 FFEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000104667821 508341193 /nfs/dbraw/zinc/34/11/93/508341193.db2.gz JOXSWPYPQOHMLU-INIZCTEOSA-N 1 2 358.239 2.979 20 30 FFEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000104667821 508341194 /nfs/dbraw/zinc/34/11/94/508341194.db2.gz JOXSWPYPQOHMLU-INIZCTEOSA-N 1 2 358.239 2.979 20 30 FFEDLO Cc1ccc(Cl)cc1N1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115531168 508406193 /nfs/dbraw/zinc/40/61/93/508406193.db2.gz CPNWPTUWNRICQQ-IBGZPJMESA-N 1 2 368.868 2.869 20 30 FFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000121747168 508409718 /nfs/dbraw/zinc/40/97/18/508409718.db2.gz UUBXVMLAXNIVNL-HOTGVXAUSA-N 1 2 355.891 2.698 20 30 FFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000121747168 508409719 /nfs/dbraw/zinc/40/97/19/508409719.db2.gz UUBXVMLAXNIVNL-HOTGVXAUSA-N 1 2 355.891 2.698 20 30 FFEDLO CCOc1ccc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115596749 508415525 /nfs/dbraw/zinc/41/55/25/508415525.db2.gz CJBPRHCRYDYTKY-ORAYPTAESA-N 1 2 353.422 2.843 20 30 FFEDLO COc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000115599164 508416166 /nfs/dbraw/zinc/41/61/66/508416166.db2.gz FYDSGNJBCDWVOH-INIZCTEOSA-N 1 2 363.339 2.902 20 30 FFEDLO COc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1Br ZINC000115599110 508416288 /nfs/dbraw/zinc/41/62/88/508416288.db2.gz NVBCTAFXKGZDGZ-MRXNPFEDSA-N 1 2 374.238 2.646 20 30 FFEDLO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000115675211 508425039 /nfs/dbraw/zinc/42/50/39/508425039.db2.gz NOORQYBUEDSFLF-OAHLLOKOSA-N 1 2 360.421 2.886 20 30 FFEDLO COc1ccccc1[C@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156775316 508475795 /nfs/dbraw/zinc/47/57/95/508475795.db2.gz DHYYRTHHAYEGFE-KRWDZBQOSA-N 1 2 370.474 2.830 20 30 FFEDLO COc1ccccc1[C@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156775316 508475796 /nfs/dbraw/zinc/47/57/96/508475796.db2.gz DHYYRTHHAYEGFE-KRWDZBQOSA-N 1 2 370.474 2.830 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)COc2ccccc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000127648034 508482072 /nfs/dbraw/zinc/48/20/72/508482072.db2.gz YKIDRGSHSRQISI-XLIONFOSSA-N 1 2 371.387 2.777 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)COc2ccccc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000127648034 508482076 /nfs/dbraw/zinc/48/20/76/508482076.db2.gz YKIDRGSHSRQISI-XLIONFOSSA-N 1 2 371.387 2.777 20 30 FFEDLO CCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C[C@@H]1CCCCO1 ZINC000156899817 508493930 /nfs/dbraw/zinc/49/39/30/508493930.db2.gz YRLJRVQUKYUZLN-KRWDZBQOSA-N 1 2 350.484 2.613 20 30 FFEDLO CCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C[C@@H]1CCCCO1 ZINC000156899817 508493935 /nfs/dbraw/zinc/49/39/35/508493935.db2.gz YRLJRVQUKYUZLN-KRWDZBQOSA-N 1 2 350.484 2.613 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000134144861 508499261 /nfs/dbraw/zinc/49/92/61/508499261.db2.gz XIMNAXQWNYHJSH-CQSZACIVSA-N 1 2 365.424 2.814 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000134144861 508499262 /nfs/dbraw/zinc/49/92/62/508499262.db2.gz XIMNAXQWNYHJSH-CQSZACIVSA-N 1 2 365.424 2.814 20 30 FFEDLO CC(C)Oc1cc(C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C2CC2)ccn1 ZINC000122378149 508525216 /nfs/dbraw/zinc/52/52/16/508525216.db2.gz OMINJYQVJPOFGT-HXUWFJFHSA-N 1 2 356.470 2.642 20 30 FFEDLO CC(C)Oc1cc(C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C2CC2)ccn1 ZINC000122378149 508525219 /nfs/dbraw/zinc/52/52/19/508525219.db2.gz OMINJYQVJPOFGT-HXUWFJFHSA-N 1 2 356.470 2.642 20 30 FFEDLO Cn1ncc(Cl)c1/C=C/C(=O)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000122641228 508566495 /nfs/dbraw/zinc/56/64/95/508566495.db2.gz NSOHAUWITUYUJP-HWKANZROSA-N 1 2 361.829 2.507 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000153632253 508612832 /nfs/dbraw/zinc/61/28/32/508612832.db2.gz FBZWCDQNIIDWRA-QGZVFWFLSA-N 1 2 372.469 2.674 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000118161558 508637642 /nfs/dbraw/zinc/63/76/42/508637642.db2.gz OBSHJMNMTJJIAG-UHFFFAOYSA-N 1 2 356.382 2.992 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000128866365 508653407 /nfs/dbraw/zinc/65/34/07/508653407.db2.gz JRNNNVIWEPMHHQ-GOSISDBHSA-N 1 2 366.421 2.683 20 30 FFEDLO COC(=O)c1oc([C@H](C)[NH+]2CCN(c3ncccc3C#N)CC2)cc1C ZINC000136353159 508689020 /nfs/dbraw/zinc/68/90/20/508689020.db2.gz SHFOLZVEYDUVMQ-AWEZNQCLSA-N 1 2 354.410 2.525 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000119028983 508710023 /nfs/dbraw/zinc/71/00/23/508710023.db2.gz FNUSDYLLKMUHOF-CQSZACIVSA-N 1 2 372.469 2.904 20 30 FFEDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc(C#N)cc3Br)CC2)S1 ZINC000123896381 508754738 /nfs/dbraw/zinc/75/47/38/508754738.db2.gz VXXCTBSUCGXGTC-LLVKDONJSA-N 1 2 365.300 2.934 20 30 FFEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c(-c2ccncc2)n1 ZINC000371462688 512416209 /nfs/dbraw/zinc/41/62/09/512416209.db2.gz DVYVIHMKNBBVHQ-HXUWFJFHSA-N 1 2 359.433 2.927 20 30 FFEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c(-c2ccncc2)n1 ZINC000371462688 512416216 /nfs/dbraw/zinc/41/62/16/512416216.db2.gz DVYVIHMKNBBVHQ-HXUWFJFHSA-N 1 2 359.433 2.927 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)cc1OC ZINC000119811650 508866898 /nfs/dbraw/zinc/86/68/98/508866898.db2.gz JAFBZZNEKGBXLN-SFHVURJKSA-N 1 2 352.434 2.672 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)cc1OC ZINC000119811650 508866902 /nfs/dbraw/zinc/86/69/02/508866902.db2.gz JAFBZZNEKGBXLN-SFHVURJKSA-N 1 2 352.434 2.672 20 30 FFEDLO N#Cc1cc(F)ccc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000119815278 508868342 /nfs/dbraw/zinc/86/83/42/508868342.db2.gz ALRVXPVDALFZCW-GOSISDBHSA-N 1 2 368.412 2.720 20 30 FFEDLO N#Cc1cc(F)ccc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000119815278 508868345 /nfs/dbraw/zinc/86/83/45/508868345.db2.gz ALRVXPVDALFZCW-GOSISDBHSA-N 1 2 368.412 2.720 20 30 FFEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000154858411 508870586 /nfs/dbraw/zinc/87/05/86/508870586.db2.gz BOFFOXGVUSYLGD-UHFFFAOYSA-N 1 2 365.437 2.727 20 30 FFEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCn2cc[nH+]c2)cc1C ZINC000150285182 508877048 /nfs/dbraw/zinc/87/70/48/508877048.db2.gz GGBHTZUQLRLKSS-UHFFFAOYSA-N 1 2 362.437 2.707 20 30 FFEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000154913605 508881504 /nfs/dbraw/zinc/88/15/04/508881504.db2.gz HOYNEUURGFAKGD-UHFFFAOYSA-N 1 2 353.422 2.860 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)SCC[NH+]2CCOCC2)cc1 ZINC000159827936 508897081 /nfs/dbraw/zinc/89/70/81/508897081.db2.gz BPOPIUYYTNXWIC-KRWDZBQOSA-N 1 2 361.511 2.696 20 30 FFEDLO Cc1cnc2c(cccc2S(=O)(=O)N2CC[NH+](CCCCC#N)CC2)c1 ZINC000120081169 508924598 /nfs/dbraw/zinc/92/45/98/508924598.db2.gz PPIMLRARXZMTTK-UHFFFAOYSA-N 1 2 372.494 2.543 20 30 FFEDLO N#Cc1ccc2[nH+]cc(CN3CCN([C@@H](C#N)c4ccccc4)CC3)n2c1 ZINC000155287428 508967597 /nfs/dbraw/zinc/96/75/97/508967597.db2.gz NVZRPPLPXULLNL-FQEVSTJZSA-N 1 2 356.433 2.588 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1cn(-c2ccccc2)nn1 ZINC000151221405 508981190 /nfs/dbraw/zinc/98/11/90/508981190.db2.gz JYNIRQJODPHIIJ-CABCVRRESA-N 1 2 360.421 2.817 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cc(Br)cn1C ZINC000151472503 509024095 /nfs/dbraw/zinc/02/40/95/509024095.db2.gz RPWPIWYWJQIVRZ-LRDDRELGSA-N 1 2 369.307 2.662 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cc(Br)cn1C ZINC000151472503 509024097 /nfs/dbraw/zinc/02/40/97/509024097.db2.gz RPWPIWYWJQIVRZ-LRDDRELGSA-N 1 2 369.307 2.662 20 30 FFEDLO C[NH+](C)[C@@H](CNC(=O)CNc1cccc(C#N)c1)c1c(F)cccc1F ZINC000160884733 509043637 /nfs/dbraw/zinc/04/36/37/509043637.db2.gz PZSSXTIEQFYXQH-KRWDZBQOSA-N 1 2 358.392 2.667 20 30 FFEDLO Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000120966966 509098984 /nfs/dbraw/zinc/09/89/84/509098984.db2.gz AFTLKFNSJLPUCY-GOSISDBHSA-N 1 2 363.461 2.978 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc(OC)c1OC ZINC000126943378 509150285 /nfs/dbraw/zinc/15/02/85/509150285.db2.gz OEJZFTBKQAIIRJ-UHFFFAOYSA-N 1 2 367.449 2.906 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000121463504 509175068 /nfs/dbraw/zinc/17/50/68/509175068.db2.gz BXNGBWDXJUHHRT-HXUWFJFHSA-N 1 2 358.449 2.650 20 30 FFEDLO C[C@]([NH2+]Cc1cc(C#N)ccc1Br)(C(N)=O)c1ccccc1 ZINC000191810874 509194422 /nfs/dbraw/zinc/19/44/22/509194422.db2.gz NVTUSFOKONXTJR-QGZVFWFLSA-N 1 2 358.239 2.811 20 30 FFEDLO Cn1cc(C#N)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000178948266 509198025 /nfs/dbraw/zinc/19/80/25/509198025.db2.gz UBCWESMIWIUZTC-NVXWUHKLSA-N 1 2 360.820 2.864 20 30 FFEDLO Cn1cc(C#N)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000178948266 509198032 /nfs/dbraw/zinc/19/80/32/509198032.db2.gz UBCWESMIWIUZTC-NVXWUHKLSA-N 1 2 360.820 2.864 20 30 FFEDLO O=S(=O)(c1ccc(F)cc1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000191897243 509236045 /nfs/dbraw/zinc/23/60/45/509236045.db2.gz LPTHQDVLXCONLS-UHFFFAOYSA-N 1 2 372.465 2.574 20 30 FFEDLO O=S(=O)(c1ccc(F)cc1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000191897243 509236050 /nfs/dbraw/zinc/23/60/50/509236050.db2.gz LPTHQDVLXCONLS-UHFFFAOYSA-N 1 2 372.465 2.574 20 30 FFEDLO N#Cc1c(NC[C@@H](c2cccs2)[NH+]2CCOCC2)nc2ccccn12 ZINC000263971832 509257198 /nfs/dbraw/zinc/25/71/98/509257198.db2.gz MOWISMIVZFRMBQ-HNNXBMFYSA-N 1 2 353.451 2.753 20 30 FFEDLO CCc1noc(C)c1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000162725013 509287779 /nfs/dbraw/zinc/28/77/79/509287779.db2.gz JDOXDURMDRHHRC-UHFFFAOYSA-N 1 2 367.409 2.987 20 30 FFEDLO CC#CCCCC(=O)N1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000185784028 509355188 /nfs/dbraw/zinc/35/51/88/509355188.db2.gz JREXPGVGPQXHDJ-UHFFFAOYSA-N 1 2 374.481 2.550 20 30 FFEDLO CCCN1CCC[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)CC1=O ZINC000189212994 509465303 /nfs/dbraw/zinc/46/53/03/509465303.db2.gz ZJTJXCIEVKTNRA-UHFFFAOYSA-N 1 2 359.470 2.822 20 30 FFEDLO CCCN1CCC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)CC1=O ZINC000189212994 509465304 /nfs/dbraw/zinc/46/53/04/509465304.db2.gz ZJTJXCIEVKTNRA-UHFFFAOYSA-N 1 2 359.470 2.822 20 30 FFEDLO CCN(C[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1)CC(F)(F)F ZINC000176404993 509491854 /nfs/dbraw/zinc/49/18/54/509491854.db2.gz AWVHGERQJCVLCD-GFCCVEGCSA-N 1 2 374.432 2.764 20 30 FFEDLO CCN(C[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1)CC(F)(F)F ZINC000176404993 509491861 /nfs/dbraw/zinc/49/18/61/509491861.db2.gz AWVHGERQJCVLCD-GFCCVEGCSA-N 1 2 374.432 2.764 20 30 FFEDLO Cc1cnc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000267490347 509513203 /nfs/dbraw/zinc/51/32/03/509513203.db2.gz AOPWLKBKDJJIJU-OAHLLOKOSA-N 1 2 369.494 2.912 20 30 FFEDLO N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000179721578 509589637 /nfs/dbraw/zinc/58/96/37/509589637.db2.gz QMVZLZFLNVSKRF-UHFFFAOYSA-N 1 2 374.404 2.776 20 30 FFEDLO C=CCC[C@H](C(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)c1ccccc1 ZINC000186234745 509591452 /nfs/dbraw/zinc/59/14/52/509591452.db2.gz IGCXPSWWONZKFI-FQEVSTJZSA-N 1 2 369.509 2.503 20 30 FFEDLO N#Cc1cc(N2CC[NH+](Cc3ccc(Cl)nc3)CC2)ccc1[N+](=O)[O-] ZINC000166701058 509612835 /nfs/dbraw/zinc/61/28/35/509612835.db2.gz SSZWTYJILFKGSJ-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO Cc1noc(C)c1CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000166805891 509617367 /nfs/dbraw/zinc/61/73/67/509617367.db2.gz JUQCFSHTADMSCV-UHFFFAOYSA-N 1 2 367.409 2.776 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000186296981 509631509 /nfs/dbraw/zinc/63/15/09/509631509.db2.gz AGKKLWSUCWHNOP-QRVBRYPASA-N 1 2 368.525 2.741 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)N1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000186296981 509631519 /nfs/dbraw/zinc/63/15/19/509631519.db2.gz AGKKLWSUCWHNOP-QRVBRYPASA-N 1 2 368.525 2.741 20 30 FFEDLO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000250571594 509800522 /nfs/dbraw/zinc/80/05/22/509800522.db2.gz XHDAJLPDISNALN-GDBMZVCRSA-N 1 2 374.485 2.723 20 30 FFEDLO CCCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000250571594 509800526 /nfs/dbraw/zinc/80/05/26/509800526.db2.gz XHDAJLPDISNALN-GDBMZVCRSA-N 1 2 374.485 2.723 20 30 FFEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)c2sccc2C#N)CC1 ZINC000186610392 509801956 /nfs/dbraw/zinc/80/19/56/509801956.db2.gz PLKYYWVBTMIXDH-UHFFFAOYSA-N 1 2 368.462 2.536 20 30 FFEDLO CC(C)[C@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCS1 ZINC000173863364 509822457 /nfs/dbraw/zinc/82/24/57/509822457.db2.gz VNNULFHAHNEPOI-QGZVFWFLSA-N 1 2 369.494 2.756 20 30 FFEDLO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCS1 ZINC000173863364 509822466 /nfs/dbraw/zinc/82/24/66/509822466.db2.gz VNNULFHAHNEPOI-QGZVFWFLSA-N 1 2 369.494 2.756 20 30 FFEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)CCCCC#N ZINC000174034607 509916065 /nfs/dbraw/zinc/91/60/65/509916065.db2.gz HWHBFGPOFXJSIF-UHFFFAOYSA-N 1 2 364.515 2.644 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1nc2ccccc2n1C ZINC000177195305 509930135 /nfs/dbraw/zinc/93/01/35/509930135.db2.gz VRFGRNJPMFFUOJ-HNNXBMFYSA-N 1 2 353.470 2.736 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1nc2ccccc2n1C ZINC000177195305 509930140 /nfs/dbraw/zinc/93/01/40/509930140.db2.gz VRFGRNJPMFFUOJ-HNNXBMFYSA-N 1 2 353.470 2.736 20 30 FFEDLO COc1cc(N2CC[NH+](Cc3ccccc3C#N)CC2)cc(OC)c1OC ZINC000183703724 509936400 /nfs/dbraw/zinc/93/64/00/509936400.db2.gz IYRSFUUOQFBDEE-UHFFFAOYSA-N 1 2 367.449 2.906 20 30 FFEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC(=O)Nc1ccccc1C(F)(F)F ZINC000174224656 510011742 /nfs/dbraw/zinc/01/17/42/510011742.db2.gz XCMUAJHZDDNVKA-NSHDSACASA-N 1 2 361.364 2.994 20 30 FFEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCC(=O)Nc1ccccc1C(F)(F)F ZINC000174224670 510012066 /nfs/dbraw/zinc/01/20/66/510012066.db2.gz XCMUAJHZDDNVKA-LLVKDONJSA-N 1 2 361.364 2.994 20 30 FFEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000193750770 510050069 /nfs/dbraw/zinc/05/00/69/510050069.db2.gz UEWSAPPZPBJGLV-UHFFFAOYSA-N 1 2 353.397 2.534 20 30 FFEDLO Cc1[nH+]c2cc(C)ccn2c1CN1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000174393548 510093240 /nfs/dbraw/zinc/09/32/40/510093240.db2.gz APCUYKBKDBAVSQ-UHFFFAOYSA-N 1 2 365.481 2.679 20 30 FFEDLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000174393548 510093249 /nfs/dbraw/zinc/09/32/49/510093249.db2.gz APCUYKBKDBAVSQ-UHFFFAOYSA-N 1 2 365.481 2.679 20 30 FFEDLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N[C@@H](C)CC#N)c2c1C ZINC000171366134 510108873 /nfs/dbraw/zinc/10/88/73/510108873.db2.gz FIBNWUCQNUPFGL-JTQLQIEISA-N 1 2 361.471 2.952 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177598891 510153807 /nfs/dbraw/zinc/15/38/07/510153807.db2.gz ZTJIYWQPVBXHFH-INIZCTEOSA-N 1 2 363.483 2.608 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190522837 510183035 /nfs/dbraw/zinc/18/30/35/510183035.db2.gz ZCVZYIDZFJWLOK-AWEZNQCLSA-N 1 2 368.412 2.963 20 30 FFEDLO C=C(C)COCCNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000177704407 510206713 /nfs/dbraw/zinc/20/67/13/510206713.db2.gz APWRTRIRTMTVOA-KRWDZBQOSA-N 1 2 361.486 2.676 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246082056 510282530 /nfs/dbraw/zinc/28/25/30/510282530.db2.gz KVRLKOCVRPCUQF-GDBMZVCRSA-N 1 2 364.453 2.691 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246082056 510282536 /nfs/dbraw/zinc/28/25/36/510282536.db2.gz KVRLKOCVRPCUQF-GDBMZVCRSA-N 1 2 364.453 2.691 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000190729829 510312652 /nfs/dbraw/zinc/31/26/52/510312652.db2.gz GLESCXBHFJXLJD-GOEBONIOSA-N 1 2 372.469 2.874 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000190729829 510312654 /nfs/dbraw/zinc/31/26/54/510312654.db2.gz GLESCXBHFJXLJD-GOEBONIOSA-N 1 2 372.469 2.874 20 30 FFEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000171706943 510321115 /nfs/dbraw/zinc/32/11/15/510321115.db2.gz WIGJLMOWGAPQKA-GOSISDBHSA-N 1 2 357.498 2.574 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c(C#N)c1C ZINC000184494701 510355435 /nfs/dbraw/zinc/35/54/35/510355435.db2.gz MQIFROUJCHSQEB-OAHLLOKOSA-N 1 2 361.442 2.760 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c(C#N)c1C ZINC000184494701 510355439 /nfs/dbraw/zinc/35/54/39/510355439.db2.gz MQIFROUJCHSQEB-OAHLLOKOSA-N 1 2 361.442 2.760 20 30 FFEDLO CCc1ccc(C(=O)N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000177993841 510364831 /nfs/dbraw/zinc/36/48/31/510364831.db2.gz KXZWDGLHYYSLRO-NRFANRHFSA-N 1 2 363.461 2.612 20 30 FFEDLO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246350576 510441735 /nfs/dbraw/zinc/44/17/35/510441735.db2.gz FYKCNZROTJPYAU-CVEARBPZSA-N 1 2 369.494 2.913 20 30 FFEDLO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246350576 510441738 /nfs/dbraw/zinc/44/17/38/510441738.db2.gz FYKCNZROTJPYAU-CVEARBPZSA-N 1 2 369.494 2.913 20 30 FFEDLO Cc1cc(C)cc(OCC(=O)N2CC[NH+](Cc3cc(C#N)cs3)CC2)c1 ZINC000181568677 510478394 /nfs/dbraw/zinc/47/83/94/510478394.db2.gz QLDYVLBNOKVTET-UHFFFAOYSA-N 1 2 369.490 2.960 20 30 FFEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000191134516 510519638 /nfs/dbraw/zinc/51/96/38/510519638.db2.gz PMPOSCVNXRPQNK-UHFFFAOYSA-N 1 2 362.861 2.658 20 30 FFEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000191134516 510519648 /nfs/dbraw/zinc/51/96/48/510519648.db2.gz PMPOSCVNXRPQNK-UHFFFAOYSA-N 1 2 362.861 2.658 20 30 FFEDLO Cc1cc(NC(=O)C(=O)NCCCCC#N)ccc1Oc1cc[nH+]cc1 ZINC000194828102 510549121 /nfs/dbraw/zinc/54/91/21/510549121.db2.gz AFMAGGHRPFNKAT-UHFFFAOYSA-N 1 2 352.394 2.931 20 30 FFEDLO COCCN(C)c1ccc(/C=C2/S/C(=N/C3CCCC3)NC2=O)c[nH+]1 ZINC000191227226 510557145 /nfs/dbraw/zinc/55/71/45/510557145.db2.gz ULUABRHBTMQROP-RVDMUPIBSA-N 1 2 360.483 2.667 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178377932 510574370 /nfs/dbraw/zinc/57/43/70/510574370.db2.gz LFZXANZVERVZBS-UHFFFAOYSA-N 1 2 364.405 2.690 20 30 FFEDLO CC(C)[C@H]1C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCS1 ZINC000266635723 510700612 /nfs/dbraw/zinc/70/06/12/510700612.db2.gz RMOFGEZZLZXMMB-RHSMWYFYSA-N 1 2 370.478 2.585 20 30 FFEDLO CC(C)[C@H]1C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCS1 ZINC000266635723 510700615 /nfs/dbraw/zinc/70/06/15/510700615.db2.gz RMOFGEZZLZXMMB-RHSMWYFYSA-N 1 2 370.478 2.585 20 30 FFEDLO Cc1ccc([C@@H](CNC(=O)c2ccc(CC#N)cc2)[NH+]2CCOCC2)cc1 ZINC000270277756 510744313 /nfs/dbraw/zinc/74/43/13/510744313.db2.gz LXMXHSRSWWPEEA-OAQYLSRUSA-N 1 2 363.461 2.864 20 30 FFEDLO C=C[C@@H](CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)c1ccccc1 ZINC000270294642 510750586 /nfs/dbraw/zinc/75/05/86/510750586.db2.gz OZNKPNMLOMTGEZ-SFHVURJKSA-N 1 2 351.450 2.894 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000266754218 510767745 /nfs/dbraw/zinc/76/77/45/510767745.db2.gz QYVIVXJOLBVGOA-SWLSCSKDSA-N 1 2 373.400 2.628 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000266754218 510767752 /nfs/dbraw/zinc/76/77/52/510767752.db2.gz QYVIVXJOLBVGOA-SWLSCSKDSA-N 1 2 373.400 2.628 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178806484 510781858 /nfs/dbraw/zinc/78/18/58/510781858.db2.gz QJASVCAJCVILFR-BZQUYTCOSA-N 1 2 361.511 2.587 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178806484 510781866 /nfs/dbraw/zinc/78/18/66/510781866.db2.gz QJASVCAJCVILFR-BZQUYTCOSA-N 1 2 361.511 2.587 20 30 FFEDLO C=CCCOCCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000270383514 510786359 /nfs/dbraw/zinc/78/63/59/510786359.db2.gz GNOMHZMDMMZYOB-UHFFFAOYSA-N 1 2 360.502 2.922 20 30 FFEDLO C=CC[C@H](C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000188566742 510828307 /nfs/dbraw/zinc/82/83/07/510828307.db2.gz YBCNGXOHRBFIRW-ICSRJNTNSA-N 1 2 360.523 2.670 20 30 FFEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccn(C3CCCCC3)n2)CC1 ZINC000329902139 510873734 /nfs/dbraw/zinc/87/37/34/510873734.db2.gz HLKNJJGFFNFVMD-UHFFFAOYSA-N 1 2 361.490 2.513 20 30 FFEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccn(C3CCCCC3)n2)CC1 ZINC000329902139 510873739 /nfs/dbraw/zinc/87/37/39/510873739.db2.gz HLKNJJGFFNFVMD-UHFFFAOYSA-N 1 2 361.490 2.513 20 30 FFEDLO C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)[C@@H](C)C1 ZINC000329922748 510878626 /nfs/dbraw/zinc/87/86/26/510878626.db2.gz UBVNGMSQHZNXEZ-SRIISGBFSA-N 1 2 365.497 2.661 20 30 FFEDLO C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)[C@@H](C)C1 ZINC000329922748 510878632 /nfs/dbraw/zinc/87/86/32/510878632.db2.gz UBVNGMSQHZNXEZ-SRIISGBFSA-N 1 2 365.497 2.661 20 30 FFEDLO COc1c(Cl)cc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1Cl ZINC000329924855 510878691 /nfs/dbraw/zinc/87/86/91/510878691.db2.gz JIXYFRHPAZZQQX-OLZOCXBDSA-N 1 2 360.241 2.562 20 30 FFEDLO COc1c(Cl)cc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1Cl ZINC000329924855 510878699 /nfs/dbraw/zinc/87/86/99/510878699.db2.gz JIXYFRHPAZZQQX-OLZOCXBDSA-N 1 2 360.241 2.562 20 30 FFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCSC[C@H]1c1nccs1 ZINC000329930363 510880037 /nfs/dbraw/zinc/88/00/37/510880037.db2.gz OIYZMTXZVJRVFM-ZDUSSCGKSA-N 1 2 363.512 2.880 20 30 FFEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1)C1CCOCC1 ZINC000329960127 510886717 /nfs/dbraw/zinc/88/67/17/510886717.db2.gz QXXDWIDNRHKSTQ-QGZVFWFLSA-N 1 2 366.531 2.688 20 30 FFEDLO COc1ccc([C@H](NC(=O)C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)C2CC2)cc1 ZINC000329968749 510889649 /nfs/dbraw/zinc/88/96/49/510889649.db2.gz WVUBNXRPPIHCKV-IWMITWMQSA-N 1 2 374.481 2.983 20 30 FFEDLO COc1ccc([C@H](NC(=O)C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)C2CC2)cc1 ZINC000329968749 510889655 /nfs/dbraw/zinc/88/96/55/510889655.db2.gz WVUBNXRPPIHCKV-IWMITWMQSA-N 1 2 374.481 2.983 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CCOc3ccccc32)cn1 ZINC000329982238 510892861 /nfs/dbraw/zinc/89/28/61/510892861.db2.gz OSHPFFZCEIQVSW-BQFCYCMXSA-N 1 2 372.444 2.855 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CCOc3ccccc32)cn1 ZINC000329982238 510892862 /nfs/dbraw/zinc/89/28/62/510892862.db2.gz OSHPFFZCEIQVSW-BQFCYCMXSA-N 1 2 372.444 2.855 20 30 FFEDLO CCN1CCN(C(=O)NCCc2c(C)cccc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329984783 510893570 /nfs/dbraw/zinc/89/35/70/510893570.db2.gz CPOXVKLXEOXQLW-SFHVURJKSA-N 1 2 355.486 2.862 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)NCC2C3CC4CC(C3)CC2C4)CCN1C ZINC000329996013 510895773 /nfs/dbraw/zinc/89/57/73/510895773.db2.gz ODTIIEGGXQCPSF-LUWCXRDKSA-N 1 2 371.529 2.695 20 30 FFEDLO CC1(C)C[N@H+](CCNC(=O)C2CCC(NC(=O)C3CC3)CC2)CCO1 ZINC000330003107 510898391 /nfs/dbraw/zinc/89/83/91/510898391.db2.gz ZKWLIVSISDVWDK-UHFFFAOYSA-N 1 2 351.491 2.979 20 30 FFEDLO CC1(C)C[N@@H+](CCNC(=O)C2CCC(NC(=O)C3CC3)CC2)CCO1 ZINC000330003107 510898395 /nfs/dbraw/zinc/89/83/95/510898395.db2.gz ZKWLIVSISDVWDK-UHFFFAOYSA-N 1 2 351.491 2.979 20 30 FFEDLO C[C@H]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000330003206 510898873 /nfs/dbraw/zinc/89/88/73/510898873.db2.gz BOFDNDGOTHUREL-JKSUJKDBSA-N 1 2 350.488 2.570 20 30 FFEDLO CC(C)n1ncc2c1C[C@H](NC(=O)N1CCCC13CC[NH+](C)CC3)CC2 ZINC000330044372 510905314 /nfs/dbraw/zinc/90/53/14/510905314.db2.gz HRDFUFAXMJISMC-QGZVFWFLSA-N 1 2 359.518 2.796 20 30 FFEDLO N#CC1CCC(CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000282281816 510913829 /nfs/dbraw/zinc/91/38/29/510913829.db2.gz IFKQDNBQHBTHCD-UHFFFAOYSA-N 1 2 370.497 2.648 20 30 FFEDLO C[C@H]1[N@H+](CC(=O)NCc2ccccc2CN2CCCC2=O)CCOC1(C)C ZINC000330097288 510915304 /nfs/dbraw/zinc/91/53/04/510915304.db2.gz YFXNRKNTTYDASE-MRXNPFEDSA-N 1 2 373.497 2.765 20 30 FFEDLO C[C@H]1[N@@H+](CC(=O)NCc2ccccc2CN2CCCC2=O)CCOC1(C)C ZINC000330097288 510915309 /nfs/dbraw/zinc/91/53/09/510915309.db2.gz YFXNRKNTTYDASE-MRXNPFEDSA-N 1 2 373.497 2.765 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330130510 510922087 /nfs/dbraw/zinc/92/20/87/510922087.db2.gz PCQNNJXGEFJWHS-PBFPGSCMSA-N 1 2 353.850 2.981 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330130510 510922092 /nfs/dbraw/zinc/92/20/92/510922092.db2.gz PCQNNJXGEFJWHS-PBFPGSCMSA-N 1 2 353.850 2.981 20 30 FFEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@H]1SCCc2ccccc21 ZINC000330186518 510932004 /nfs/dbraw/zinc/93/20/04/510932004.db2.gz JVTXZBSXTKXWHG-QGZVFWFLSA-N 1 2 363.527 2.631 20 30 FFEDLO CC1(C)COCC[N@H+]1CCNC(=O)NC[C@H]1SCCc2ccccc21 ZINC000330186518 510932009 /nfs/dbraw/zinc/93/20/09/510932009.db2.gz JVTXZBSXTKXWHG-QGZVFWFLSA-N 1 2 363.527 2.631 20 30 FFEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000276486677 510940109 /nfs/dbraw/zinc/94/01/09/510940109.db2.gz UHABQYWTJOVZDX-NHCUHLMSSA-N 1 2 353.466 2.765 20 30 FFEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000276486677 510940116 /nfs/dbraw/zinc/94/01/16/510940116.db2.gz UHABQYWTJOVZDX-NHCUHLMSSA-N 1 2 353.466 2.765 20 30 FFEDLO N#Cc1ccc(OCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000282376485 510951968 /nfs/dbraw/zinc/95/19/68/510951968.db2.gz QUWCQSYDPNGCOR-QGZVFWFLSA-N 1 2 364.449 2.876 20 30 FFEDLO O=C1C[C@H](c2ccccc2)N(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCN1 ZINC000330284558 510957084 /nfs/dbraw/zinc/95/70/84/510957084.db2.gz XQHYQCKACWXDBR-HZPDHXFCSA-N 1 2 353.426 2.515 20 30 FFEDLO CCN1CCN(C(=O)N[C@@H]2CCc3ccccc3C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330324996 510964822 /nfs/dbraw/zinc/96/48/22/510964822.db2.gz IXUJOUKWCHTGOU-QZTJIDSGSA-N 1 2 353.470 2.560 20 30 FFEDLO Cn1cc(-c2nc(C(=O)N[C@@H]3CCO[C@@H](c4c[nH+]cn4C)C3)cs2)cn1 ZINC000330327174 510964890 /nfs/dbraw/zinc/96/48/90/510964890.db2.gz KSQHXNSHVWEWOI-IUODEOHRSA-N 1 2 372.454 2.502 20 30 FFEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000330333333 510967082 /nfs/dbraw/zinc/96/70/82/510967082.db2.gz YHIABJPMGZDQDK-VHSXEESVSA-N 1 2 353.348 2.701 20 30 FFEDLO CC1(C)C[N@H+](CCNC(=O)NC2CCC(C(F)(F)F)CC2)CCO1 ZINC000330449035 510982340 /nfs/dbraw/zinc/98/23/40/510982340.db2.gz WSBSXUXMQOMHSO-UHFFFAOYSA-N 1 2 351.413 2.722 20 30 FFEDLO CC1(C)C[N@@H+](CCNC(=O)NC2CCC(C(F)(F)F)CC2)CCO1 ZINC000330449035 510982344 /nfs/dbraw/zinc/98/23/44/510982344.db2.gz WSBSXUXMQOMHSO-UHFFFAOYSA-N 1 2 351.413 2.722 20 30 FFEDLO COc1cc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)ccc1C#N ZINC000282460394 510986932 /nfs/dbraw/zinc/98/69/32/510986932.db2.gz VOHHEYYTZXSVTD-WOJBJXKFSA-N 1 2 352.434 2.891 20 30 FFEDLO COc1cc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)ccc1C#N ZINC000282460394 510986937 /nfs/dbraw/zinc/98/69/37/510986937.db2.gz VOHHEYYTZXSVTD-WOJBJXKFSA-N 1 2 352.434 2.891 20 30 FFEDLO C#CCOc1ccc(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000297574686 510997094 /nfs/dbraw/zinc/99/70/94/510997094.db2.gz QSAVNEXFCLTYBU-LPHOPBHVSA-N 1 2 352.438 2.688 20 30 FFEDLO C=C(C)[C@@H]([NH2+]Cc1nnnn1CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000278573870 510998948 /nfs/dbraw/zinc/99/89/48/510998948.db2.gz CDNAWEPUNYBIHE-GOSISDBHSA-N 1 2 363.412 2.785 20 30 FFEDLO C[C@H](C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1)C(C)(C)C ZINC000330830513 511021188 /nfs/dbraw/zinc/02/11/88/511021188.db2.gz XQDHFNIWWMEXHK-OAHLLOKOSA-N 1 2 363.477 2.957 20 30 FFEDLO C#CCC(CC#C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000287913225 511060621 /nfs/dbraw/zinc/06/06/21/511060621.db2.gz RVGFRRBYTFRVEX-UHFFFAOYSA-N 1 2 372.266 2.727 20 30 FFEDLO Cc1cccc([C@@H](CNC(=O)[C@]2(C#N)CC23CCCC3)[NH+]2CCOCC2)c1 ZINC000294432884 511063636 /nfs/dbraw/zinc/06/36/36/511063636.db2.gz KGGNUSUWKNGNFZ-DENIHFKCSA-N 1 2 367.493 2.959 20 30 FFEDLO Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000271053289 511069714 /nfs/dbraw/zinc/06/97/14/511069714.db2.gz XSTRKDFFFPENAJ-UHFFFAOYSA-N 1 2 352.486 2.844 20 30 FFEDLO C[C@@H]1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000282708202 511081435 /nfs/dbraw/zinc/08/14/35/511081435.db2.gz KZBUKJUSUBVCJM-BEFAXECRSA-N 1 2 360.421 2.664 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c1C ZINC000279468125 511093516 /nfs/dbraw/zinc/09/35/16/511093516.db2.gz HEJKNGDIJSPLMY-SFHVURJKSA-N 1 2 362.433 2.920 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000361986497 511112003 /nfs/dbraw/zinc/11/20/03/511112003.db2.gz PNDGXPFMWRPGJN-KBXCAEBGSA-N 1 2 369.469 2.570 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000289984361 511124638 /nfs/dbraw/zinc/12/46/38/511124638.db2.gz ZZOXUWZDVSXLNK-UHFFFAOYSA-N 1 2 365.437 2.745 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NCc2ccc(Cl)cc2)n1 ZINC000279675716 511173050 /nfs/dbraw/zinc/17/30/50/511173050.db2.gz FYBMELOZSJPQLH-OAHLLOKOSA-N 1 2 358.873 2.697 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NCc2ccc(Cl)cc2)n1 ZINC000279675716 511173052 /nfs/dbraw/zinc/17/30/52/511173052.db2.gz FYBMELOZSJPQLH-OAHLLOKOSA-N 1 2 358.873 2.697 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279687579 511177938 /nfs/dbraw/zinc/17/79/38/511177938.db2.gz FVJCNEOAWYIYQG-ZWKOTPCHSA-N 1 2 371.481 2.592 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279687579 511177940 /nfs/dbraw/zinc/17/79/40/511177940.db2.gz FVJCNEOAWYIYQG-ZWKOTPCHSA-N 1 2 371.481 2.592 20 30 FFEDLO C=CCCCNC(=O)CS(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000279723261 511189938 /nfs/dbraw/zinc/18/99/38/511189938.db2.gz IQSWFYMEDNGWCL-UHFFFAOYSA-N 1 2 365.499 2.501 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000279735528 511194699 /nfs/dbraw/zinc/19/46/99/511194699.db2.gz KBCDHJLXGRQCCA-IKVWTGGYSA-N 1 2 371.481 2.590 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000279735528 511194701 /nfs/dbraw/zinc/19/47/01/511194701.db2.gz KBCDHJLXGRQCCA-IKVWTGGYSA-N 1 2 371.481 2.590 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCN(c3ccccc3Cl)C2=O)n1 ZINC000279783249 511213838 /nfs/dbraw/zinc/21/38/38/511213838.db2.gz UQKGLRAVUXYGQZ-GOSISDBHSA-N 1 2 356.857 2.797 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCN(c3ccccc3Cl)C2=O)n1 ZINC000279783249 511213845 /nfs/dbraw/zinc/21/38/45/511213845.db2.gz UQKGLRAVUXYGQZ-GOSISDBHSA-N 1 2 356.857 2.797 20 30 FFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CC2(CC#N)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000333427568 511240626 /nfs/dbraw/zinc/24/06/26/511240626.db2.gz MZPCPEDVVWJSPM-JKSUJKDBSA-N 1 2 367.902 2.698 20 30 FFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CC2(CC#N)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000333427568 511240630 /nfs/dbraw/zinc/24/06/30/511240630.db2.gz MZPCPEDVVWJSPM-JKSUJKDBSA-N 1 2 367.902 2.698 20 30 FFEDLO C#CCOc1ccc(C[NH2+]Cc2csc(N(C(C)=O)C3CC3)n2)cc1 ZINC000295090080 511278795 /nfs/dbraw/zinc/27/87/95/511278795.db2.gz SZUOPTUHBHHCOE-UHFFFAOYSA-N 1 2 355.463 2.960 20 30 FFEDLO CC(C)n1nccc1/C=C/C(=O)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000279999862 511297966 /nfs/dbraw/zinc/29/79/66/511297966.db2.gz HRIVBWARNVWQMY-GQCTYLIASA-N 1 2 355.438 2.898 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c(C#N)c1C ZINC000291880848 511376066 /nfs/dbraw/zinc/37/60/66/511376066.db2.gz QFFVOOFALDWUFC-YCRPNKLZSA-N 1 2 367.449 2.731 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c(C#N)c1C ZINC000291880848 511376071 /nfs/dbraw/zinc/37/60/71/511376071.db2.gz QFFVOOFALDWUFC-YCRPNKLZSA-N 1 2 367.449 2.731 20 30 FFEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)NCC(=O)Nc1ccccc1CC ZINC000272241975 511476367 /nfs/dbraw/zinc/47/63/67/511476367.db2.gz GUXWYWACPNJPRN-UHFFFAOYSA-N 1 2 369.465 2.627 20 30 FFEDLO C=CC[N@H+](CCc1ccco1)CC(=O)NCC(=O)Nc1ccccc1CC ZINC000272241975 511476370 /nfs/dbraw/zinc/47/63/70/511476370.db2.gz GUXWYWACPNJPRN-UHFFFAOYSA-N 1 2 369.465 2.627 20 30 FFEDLO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H](C(F)(F)F)O1 ZINC000292276137 511533111 /nfs/dbraw/zinc/53/31/11/511533111.db2.gz QNPREUXFMXUSFL-AWEZNQCLSA-N 1 2 355.360 2.929 20 30 FFEDLO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H](C(F)(F)F)O1 ZINC000292276137 511533116 /nfs/dbraw/zinc/53/31/16/511533116.db2.gz QNPREUXFMXUSFL-AWEZNQCLSA-N 1 2 355.360 2.929 20 30 FFEDLO N#CC[N@@H+](CCC(=O)Nc1ccccc1C(=O)NC1CC1)C1CCCC1 ZINC000299301538 511584512 /nfs/dbraw/zinc/58/45/12/511584512.db2.gz OKYGXZLRRUFESK-UHFFFAOYSA-N 1 2 354.454 2.676 20 30 FFEDLO N#CC[N@H+](CCC(=O)Nc1ccccc1C(=O)NC1CC1)C1CCCC1 ZINC000299301538 511584515 /nfs/dbraw/zinc/58/45/15/511584515.db2.gz OKYGXZLRRUFESK-UHFFFAOYSA-N 1 2 354.454 2.676 20 30 FFEDLO C=CCCCS(=O)(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000292621339 511663531 /nfs/dbraw/zinc/66/35/31/511663531.db2.gz OMXWJOGWBJMCSC-UHFFFAOYSA-N 1 2 359.495 2.780 20 30 FFEDLO C=CCN1CC[C@@H](Sc2nnc([C@@H](CC)[NH+](C)C)n2CCCC)C1=O ZINC000281047103 511700512 /nfs/dbraw/zinc/70/05/12/511700512.db2.gz RZHLEPUQDREBLS-HUUCEWRRSA-N 1 2 365.547 2.970 20 30 FFEDLO NC(=[NH+]OCc1nc(-c2ccc(Br)s2)no1)[C@H]1CCCO1 ZINC000284449468 511726950 /nfs/dbraw/zinc/72/69/50/511726950.db2.gz PUKYJUTXHOGAEV-SSDOTTSWSA-N 1 2 373.232 2.528 20 30 FFEDLO C=C(C)C[C@H](C)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000350154053 511730891 /nfs/dbraw/zinc/73/08/91/511730891.db2.gz JLEBUPRSTPKSQW-AWEZNQCLSA-N 1 2 355.442 2.589 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)C1=O ZINC000281247600 511774347 /nfs/dbraw/zinc/77/43/47/511774347.db2.gz GNYTUNNJBPGODB-RDJZCZTQSA-N 1 2 369.465 2.671 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)C1=O ZINC000281247600 511774351 /nfs/dbraw/zinc/77/43/51/511774351.db2.gz GNYTUNNJBPGODB-RDJZCZTQSA-N 1 2 369.465 2.671 20 30 FFEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccccc3-c3ccccc3C#N)C[C@@H]21 ZINC000284573962 511777413 /nfs/dbraw/zinc/77/74/13/511777413.db2.gz RHZJIMCLRHKKSC-LEWJYISDSA-N 1 2 361.445 2.770 20 30 FFEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccccc3-c3ccccc3C#N)C[C@@H]21 ZINC000284573962 511777417 /nfs/dbraw/zinc/77/74/17/511777417.db2.gz RHZJIMCLRHKKSC-LEWJYISDSA-N 1 2 361.445 2.770 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(Cc2ccco2)c2ccccc2)C1=O ZINC000281258824 511777794 /nfs/dbraw/zinc/77/77/94/511777794.db2.gz HJCJGQJGXNSZAJ-IBGZPJMESA-N 1 2 367.449 2.532 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(Cc2ccco2)c2ccccc2)C1=O ZINC000281258824 511777802 /nfs/dbraw/zinc/77/78/02/511777802.db2.gz HJCJGQJGXNSZAJ-IBGZPJMESA-N 1 2 367.449 2.532 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nn(-c3ccccc3)c3c2CCC3)C1=O ZINC000281299192 511795403 /nfs/dbraw/zinc/79/54/03/511795403.db2.gz JVOSZMNUYXYDNQ-FQEVSTJZSA-N 1 2 350.466 2.580 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nn(-c3ccccc3)c3c2CCC3)C1=O ZINC000281299192 511795408 /nfs/dbraw/zinc/79/54/08/511795408.db2.gz JVOSZMNUYXYDNQ-FQEVSTJZSA-N 1 2 350.466 2.580 20 30 FFEDLO N#Cc1ncn(-c2ccccc2NC(=O)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000366050115 511809044 /nfs/dbraw/zinc/80/90/44/511809044.db2.gz XTOMEAATYXSTCS-UHFFFAOYSA-N 1 2 355.361 2.577 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2Cl)C1=O ZINC000281498470 511869259 /nfs/dbraw/zinc/86/92/59/511869259.db2.gz XWOLHYJIALSAGW-CQSZACIVSA-N 1 2 356.253 2.651 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2Cl)C1=O ZINC000281498470 511869263 /nfs/dbraw/zinc/86/92/63/511869263.db2.gz XWOLHYJIALSAGW-CQSZACIVSA-N 1 2 356.253 2.651 20 30 FFEDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000296758687 511884812 /nfs/dbraw/zinc/88/48/12/511884812.db2.gz PDBREMPKIPFDQH-ZDUSSCGKSA-N 1 2 352.232 2.593 20 30 FFEDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000296758687 511884806 /nfs/dbraw/zinc/88/48/06/511884806.db2.gz PDBREMPKIPFDQH-ZDUSSCGKSA-N 1 2 352.232 2.593 20 30 FFEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000274643701 511897951 /nfs/dbraw/zinc/89/79/51/511897951.db2.gz BNLRSOHUKCEKKW-UHFFFAOYSA-N 1 2 370.434 2.881 20 30 FFEDLO CC(C)(C(=O)NCCOc1ncc(Cl)cc1Cl)[NH+]1CCOCC1 ZINC000328677729 511913827 /nfs/dbraw/zinc/91/38/27/511913827.db2.gz MEXHSTYIEOEOHB-UHFFFAOYSA-N 1 2 362.257 2.835 20 30 FFEDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCSCC2)cc1N1CCCC1=O ZINC000328909297 511949041 /nfs/dbraw/zinc/94/90/41/511949041.db2.gz DPHBJZDDUZOZPZ-CYBMUJFWSA-N 1 2 363.483 2.847 20 30 FFEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000328920178 511950290 /nfs/dbraw/zinc/95/02/90/511950290.db2.gz BUOAPPTUCMGUBJ-GDBMZVCRSA-N 1 2 359.474 2.507 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000281765147 511957822 /nfs/dbraw/zinc/95/78/22/511957822.db2.gz JCKQJSPKXDDMFZ-JLSDUUJJSA-N 1 2 372.444 2.929 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000293435895 511964052 /nfs/dbraw/zinc/96/40/52/511964052.db2.gz ABGCXURIXLYCPQ-NSHDSACASA-N 1 2 361.808 2.557 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000293435895 511964056 /nfs/dbraw/zinc/96/40/56/511964056.db2.gz ABGCXURIXLYCPQ-NSHDSACASA-N 1 2 361.808 2.557 20 30 FFEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329037433 511971788 /nfs/dbraw/zinc/97/17/88/511971788.db2.gz NHJGWILNKKPYKA-OCCSQVGLSA-N 1 2 358.446 2.763 20 30 FFEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329037433 511971793 /nfs/dbraw/zinc/97/17/93/511971793.db2.gz NHJGWILNKKPYKA-OCCSQVGLSA-N 1 2 358.446 2.763 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1coc(C2CCOCC2)n1)C1CCOCC1 ZINC000329098822 511983446 /nfs/dbraw/zinc/98/34/46/511983446.db2.gz YXJNPHVCKJMKEX-INIZCTEOSA-N 1 2 374.441 2.775 20 30 FFEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3cc(F)ccc3OCC3CC3)C[C@@H]21 ZINC000329121223 511987550 /nfs/dbraw/zinc/98/75/50/511987550.db2.gz KKPATNNURFCARE-WMZOPIPTSA-N 1 2 363.433 2.565 20 30 FFEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3cc(F)ccc3OCC3CC3)C[C@@H]21 ZINC000329121223 511987555 /nfs/dbraw/zinc/98/75/55/511987555.db2.gz KKPATNNURFCARE-WMZOPIPTSA-N 1 2 363.433 2.565 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)[C@@H]3CCC[C@H]3O)n2)C1 ZINC000329154296 511994330 /nfs/dbraw/zinc/99/43/30/511994330.db2.gz BYDIAJRKQPMWHJ-BPLDGKMQSA-N 1 2 352.504 2.766 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)[C@@H]3CCC[C@H]3O)n2)C1 ZINC000329154296 511994335 /nfs/dbraw/zinc/99/43/35/511994335.db2.gz BYDIAJRKQPMWHJ-BPLDGKMQSA-N 1 2 352.504 2.766 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)ccc1OC ZINC000293521549 511995864 /nfs/dbraw/zinc/99/58/64/511995864.db2.gz BAEGICBYGVKHGG-KRWDZBQOSA-N 1 2 367.511 2.907 20 30 FFEDLO C=C(C)COc1cc(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)ccc1OC ZINC000293521549 511995866 /nfs/dbraw/zinc/99/58/66/511995866.db2.gz BAEGICBYGVKHGG-KRWDZBQOSA-N 1 2 367.511 2.907 20 30 FFEDLO C[C@H]1C(=O)CC[C@@H]1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000366402025 512002761 /nfs/dbraw/zinc/00/27/61/512002761.db2.gz SVIYPBZKXZFBBC-SJLPKXTDSA-N 1 2 353.466 2.666 20 30 FFEDLO CC[C@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000329227681 512009129 /nfs/dbraw/zinc/00/91/29/512009129.db2.gz IFHWMPQESCOXTA-ZSZQSSIHSA-N 1 2 373.501 2.651 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000364196236 512013749 /nfs/dbraw/zinc/01/37/49/512013749.db2.gz JQXMSZHMXBXXEU-UHFFFAOYSA-N 1 2 358.392 2.710 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000364196236 512013755 /nfs/dbraw/zinc/01/37/55/512013755.db2.gz JQXMSZHMXBXXEU-UHFFFAOYSA-N 1 2 358.392 2.710 20 30 FFEDLO O=C(CN1CCN(Cc2[nH]cc[nH+]2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000329259941 512016078 /nfs/dbraw/zinc/01/60/78/512016078.db2.gz AMGSZOWKSSFRKN-GOSISDBHSA-N 1 2 353.470 2.561 20 30 FFEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCOCC3(CC3)C2)C[C@@H](C)O1 ZINC000329302322 512023072 /nfs/dbraw/zinc/02/30/72/512023072.db2.gz NIVBOEYPNHCBDT-IAGOWNOFSA-N 1 2 373.497 2.954 20 30 FFEDLO Cc1cccn2cc(CS(=O)(=O)CCCC3(C#N)CCOCC3)[nH+]c12 ZINC000281957890 512027104 /nfs/dbraw/zinc/02/71/04/512027104.db2.gz UDABXGKDQPHTMT-UHFFFAOYSA-N 1 2 361.467 2.658 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cc(C#N)ccc3Cl)c[nH+]2)CCO1 ZINC000285189863 512031390 /nfs/dbraw/zinc/03/13/90/512031390.db2.gz OAHAEMMDKWMFBJ-CYBMUJFWSA-N 1 2 370.840 2.762 20 30 FFEDLO CC(C)(C(=O)N1CC[NH+](Cc2ccncc2)CC1)c1cc(F)cc(C#N)c1 ZINC000285192438 512031555 /nfs/dbraw/zinc/03/15/55/512031555.db2.gz VNJRGVQHPAFFLE-UHFFFAOYSA-N 1 2 366.440 2.714 20 30 FFEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc([C@@H]3CCCOC3)cc2)CC1 ZINC000329366229 512034802 /nfs/dbraw/zinc/03/48/02/512034802.db2.gz GUZXKJNGWJZIQJ-LJQANCHMSA-N 1 2 373.497 2.705 20 30 FFEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc([C@@H]3CCCOC3)cc2)CC1 ZINC000329366229 512034804 /nfs/dbraw/zinc/03/48/04/512034804.db2.gz GUZXKJNGWJZIQJ-LJQANCHMSA-N 1 2 373.497 2.705 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2CO)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329448873 512049349 /nfs/dbraw/zinc/04/93/49/512049349.db2.gz LPKKRVFGJPROHB-PVUWLOKVSA-N 1 2 371.403 2.610 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2CO)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329448873 512049355 /nfs/dbraw/zinc/04/93/55/512049355.db2.gz LPKKRVFGJPROHB-PVUWLOKVSA-N 1 2 371.403 2.610 20 30 FFEDLO CC(C)c1cc(C(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)c2cnn(C(C)C)c2n1 ZINC000329487250 512055378 /nfs/dbraw/zinc/05/53/78/512055378.db2.gz RJDYFLCNHGGRKU-OAHLLOKOSA-N 1 2 372.517 2.686 20 30 FFEDLO CC(C)c1cc(C(=O)NC[C@@H]2CN(C)CC[N@H+]2C)c2cnn(C(C)C)c2n1 ZINC000329487250 512055384 /nfs/dbraw/zinc/05/53/84/512055384.db2.gz RJDYFLCNHGGRKU-OAHLLOKOSA-N 1 2 372.517 2.686 20 30 FFEDLO Cc1ccccc1C(=O)NC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000329487963 512057301 /nfs/dbraw/zinc/05/73/01/512057301.db2.gz UGTLQJFBUFSWQI-MRXNPFEDSA-N 1 2 366.465 2.750 20 30 FFEDLO CN(C[C@@H]1CCCC[C@@H]1O)C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329580598 512073391 /nfs/dbraw/zinc/07/33/91/512073391.db2.gz WWNSOIFJWYJAAA-JYJNAYRXSA-N 1 2 362.518 2.892 20 30 FFEDLO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCCCS1(=O)=O ZINC000329589777 512074629 /nfs/dbraw/zinc/07/46/29/512074629.db2.gz NIJXJYSPAXKXTB-DZGCQCFKSA-N 1 2 356.513 2.809 20 30 FFEDLO COc1ccc2c(c1)C1(CC1)CN(C([O-])=[NH+][C@@H]1CCc3[nH]c[nH+]c3C1)C2 ZINC000329606980 512075918 /nfs/dbraw/zinc/07/59/18/512075918.db2.gz MRKFIJRDBIZIQP-CQSZACIVSA-N 1 2 352.438 2.737 20 30 FFEDLO COc1ccc2c(c1)C1(CC1)CN(C([O-])=[NH+][C@@H]1CCc3[nH+]c[nH]c3C1)C2 ZINC000329606980 512075924 /nfs/dbraw/zinc/07/59/24/512075924.db2.gz MRKFIJRDBIZIQP-CQSZACIVSA-N 1 2 352.438 2.737 20 30 FFEDLO O=C(NC[C@@H]1CCC2(CCCCC2)O1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329660483 512083893 /nfs/dbraw/zinc/08/38/93/512083893.db2.gz OEIGEKITJUMNCW-ROUUACIJSA-N 1 2 365.518 2.579 20 30 FFEDLO Cc1nnc2n1C[C@@H](C[NH+]=C([O-])N1CCC(c3ccc(C)[nH+]c3)CC1)CC2 ZINC000329682854 512086486 /nfs/dbraw/zinc/08/64/86/512086486.db2.gz YUNSSMLLKPQORB-MRXNPFEDSA-N 1 2 368.485 2.646 20 30 FFEDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)N[C@H]1CCCOC1)CC2 ZINC000329705447 512088055 /nfs/dbraw/zinc/08/80/55/512088055.db2.gz KGYWRPFSWDMITJ-LSDHHAIUSA-N 1 2 364.515 2.522 20 30 FFEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)N[C@H]1CCCOC1)CC2 ZINC000329705447 512088059 /nfs/dbraw/zinc/08/80/59/512088059.db2.gz KGYWRPFSWDMITJ-LSDHHAIUSA-N 1 2 364.515 2.522 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000329734202 512091745 /nfs/dbraw/zinc/09/17/45/512091745.db2.gz KDVJWWWTOWZYLH-PBHICJAKSA-N 1 2 368.437 2.789 20 30 FFEDLO C[C@@H]1OCC[C@]1(C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000329765269 512094949 /nfs/dbraw/zinc/09/49/49/512094949.db2.gz WUAISQGMHQNULA-PUOKJFKWSA-N 1 2 353.413 2.781 20 30 FFEDLO C[C@@H]1OCC[C@]1(C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000329765269 512094950 /nfs/dbraw/zinc/09/49/50/512094950.db2.gz WUAISQGMHQNULA-PUOKJFKWSA-N 1 2 353.413 2.781 20 30 FFEDLO Cc1ncc(C[NH+]2CCN(C(=O)Nc3sc(C)nc3C)CC2)s1 ZINC000329807050 512100049 /nfs/dbraw/zinc/10/00/49/512100049.db2.gz LOQUXSPJABCAMM-UHFFFAOYSA-N 1 2 351.501 2.888 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1CCc2c[nH]nc2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000329827631 512102059 /nfs/dbraw/zinc/10/20/59/512102059.db2.gz CUXYIMCZLOFBNX-RHSMWYFYSA-N 1 2 371.460 2.573 20 30 FFEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H]3CCCCC3(C)C)ccn2)CC1 ZINC000329825152 512102134 /nfs/dbraw/zinc/10/21/34/512102134.db2.gz IAIVGDUKAMYQDJ-QGZVFWFLSA-N 1 2 373.501 2.573 20 30 FFEDLO COC(=O)[C@@H]([NH2+]C1CCC(c2nc(C)no2)CC1)c1cccc(C#N)c1 ZINC000371919732 512634481 /nfs/dbraw/zinc/63/44/81/512634481.db2.gz UCONUZIDBLRYEQ-PREGVCBESA-N 1 2 354.410 2.780 20 30 FFEDLO C=CCOc1ccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000376252387 512733675 /nfs/dbraw/zinc/73/36/75/512733675.db2.gz VLZPZHPSAXDFSY-QGZVFWFLSA-N 1 2 352.438 2.725 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000370059418 512746658 /nfs/dbraw/zinc/74/66/58/512746658.db2.gz IEJSEAYJMINRDK-INIZCTEOSA-N 1 2 352.438 2.855 20 30 FFEDLO COc1ccccc1[C@H]1CN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC[NH2+]1 ZINC000374336483 512775437 /nfs/dbraw/zinc/77/54/37/512775437.db2.gz GAULFLLMVXOKFT-DNVCBOLYSA-N 1 2 365.433 2.507 20 30 FFEDLO N#CC1(c2ccccn2)CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000374440819 512835188 /nfs/dbraw/zinc/83/51/88/512835188.db2.gz FRLDJFDUGOIQCM-UHFFFAOYSA-N 1 2 357.417 2.965 20 30 FFEDLO Cc1cn2c([nH+]1)CN([C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)CC2 ZINC000374642137 512932178 /nfs/dbraw/zinc/93/21/78/512932178.db2.gz BJUUWUNZQOANNT-SFHVURJKSA-N 1 2 365.481 2.959 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)c(C#N)c1C ZINC000412054737 512934787 /nfs/dbraw/zinc/93/47/87/512934787.db2.gz JETRLIVGAIJEKK-GDBMZVCRSA-N 1 2 372.469 2.572 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](N3CCCC3=O)CC2)c(C#N)c1C ZINC000412054737 512934790 /nfs/dbraw/zinc/93/47/90/512934790.db2.gz JETRLIVGAIJEKK-GDBMZVCRSA-N 1 2 372.469 2.572 20 30 FFEDLO COCCN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 ZINC000372811849 513054514 /nfs/dbraw/zinc/05/45/14/513054514.db2.gz LGHVTBKUVVNJPK-HXUWFJFHSA-N 1 2 366.465 2.609 20 30 FFEDLO COCCN(C)c1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 ZINC000372811849 513054516 /nfs/dbraw/zinc/05/45/16/513054516.db2.gz LGHVTBKUVVNJPK-HXUWFJFHSA-N 1 2 366.465 2.609 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1cccc(Br)c1 ZINC000376935908 513057409 /nfs/dbraw/zinc/05/74/09/513057409.db2.gz AEWNCTLLWHBHFV-JSGCOSHPSA-N 1 2 359.227 2.589 20 30 FFEDLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2nccc(C#N)n2)CC1 ZINC000450357519 513157220 /nfs/dbraw/zinc/15/72/20/513157220.db2.gz LHGBBYRCMIQFRV-CYBMUJFWSA-N 1 2 372.270 2.994 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(Br)cc2C#N)C1 ZINC000450368499 513163059 /nfs/dbraw/zinc/16/30/59/513163059.db2.gz HNRQPJMMINUJNY-NSHDSACASA-N 1 2 359.227 2.684 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)nc1 ZINC000428790479 513192527 /nfs/dbraw/zinc/19/25/27/513192527.db2.gz QPHZJNLFIPHCPN-QGZVFWFLSA-N 1 2 372.388 2.528 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)nc1 ZINC000428790479 513192532 /nfs/dbraw/zinc/19/25/32/513192532.db2.gz QPHZJNLFIPHCPN-QGZVFWFLSA-N 1 2 372.388 2.528 20 30 FFEDLO C=CCC1(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)CCOCC1 ZINC000424602028 513200257 /nfs/dbraw/zinc/20/02/57/513200257.db2.gz VWSOELNRENKPGW-HXUWFJFHSA-N 1 2 372.509 2.857 20 30 FFEDLO COc1cc(NC(=O)C[N@H+](C)Cc2cc(C#N)ccc2OC)cc(OC)c1 ZINC000440550419 513351660 /nfs/dbraw/zinc/35/16/60/513351660.db2.gz KOFKVSDZBLHRAK-UHFFFAOYSA-N 1 2 369.421 2.655 20 30 FFEDLO COc1cc(NC(=O)C[N@@H+](C)Cc2cc(C#N)ccc2OC)cc(OC)c1 ZINC000440550419 513351665 /nfs/dbraw/zinc/35/16/65/513351665.db2.gz KOFKVSDZBLHRAK-UHFFFAOYSA-N 1 2 369.421 2.655 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1Cl ZINC000450820252 513355516 /nfs/dbraw/zinc/35/55/16/513355516.db2.gz INOCNJMNQSAYFU-UHFFFAOYSA-N 1 2 359.861 2.584 20 30 FFEDLO COc1cc(C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)ccc1C#N ZINC000440631432 513367447 /nfs/dbraw/zinc/36/74/47/513367447.db2.gz ABVQZNXIGZKRAZ-AWEZNQCLSA-N 1 2 367.413 2.612 20 30 FFEDLO N#Cc1cnc(N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)c(F)c1 ZINC000413080801 513431183 /nfs/dbraw/zinc/43/11/83/513431183.db2.gz DORUJDKZPDZEHX-UHFFFAOYSA-N 1 2 370.819 2.716 20 30 FFEDLO C=CCOc1ccccc1CNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413150387 513484023 /nfs/dbraw/zinc/48/40/23/513484023.db2.gz WNMUJUBIOLNIJO-NVXWUHKLSA-N 1 2 354.454 2.861 20 30 FFEDLO C=CCOc1ccccc1CNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413150387 513484027 /nfs/dbraw/zinc/48/40/27/513484027.db2.gz WNMUJUBIOLNIJO-NVXWUHKLSA-N 1 2 354.454 2.861 20 30 FFEDLO COCC1(C#N)CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425310845 513504975 /nfs/dbraw/zinc/50/49/75/513504975.db2.gz YROJGJHSDCGVKR-QGZVFWFLSA-N 1 2 352.438 2.710 20 30 FFEDLO C=C(C)[C@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000413460109 513666648 /nfs/dbraw/zinc/66/66/48/513666648.db2.gz SAXQLAKWLSXLAK-KRWDZBQOSA-N 1 2 367.440 2.992 20 30 FFEDLO C=CCCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000448390369 513749170 /nfs/dbraw/zinc/74/91/70/513749170.db2.gz UFAPXZQUJGGMTM-DLBZAZTESA-N 1 2 351.878 2.977 20 30 FFEDLO C=CCCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000448390369 513749178 /nfs/dbraw/zinc/74/91/78/513749178.db2.gz UFAPXZQUJGGMTM-DLBZAZTESA-N 1 2 351.878 2.977 20 30 FFEDLO CO[C@](C)([C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000413684075 513763289 /nfs/dbraw/zinc/76/32/89/513763289.db2.gz HNRJMSPVGYPIAP-HRAATJIYSA-N 1 2 370.497 2.589 20 30 FFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000443138963 513884457 /nfs/dbraw/zinc/88/44/57/513884457.db2.gz VYYFDXAAYJEWGB-UHFFFAOYSA-N 1 2 372.837 2.876 20 30 FFEDLO COc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)NC1(C#N)CCCCC1)CCO2 ZINC000451644969 513884664 /nfs/dbraw/zinc/88/46/64/513884664.db2.gz XBPLXJULGRQKCQ-OAHLLOKOSA-N 1 2 357.454 2.621 20 30 FFEDLO COc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)NC1(C#N)CCCCC1)CCO2 ZINC000451644969 513884671 /nfs/dbraw/zinc/88/46/71/513884671.db2.gz XBPLXJULGRQKCQ-OAHLLOKOSA-N 1 2 357.454 2.621 20 30 FFEDLO O=S1(=O)CC[C@]2(C1)CCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000451741561 513952591 /nfs/dbraw/zinc/95/25/91/513952591.db2.gz NUBWQKYOGQPQMZ-QGZVFWFLSA-N 1 2 371.424 2.958 20 30 FFEDLO O=S1(=O)CC[C@]2(C1)CCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000451741561 513952595 /nfs/dbraw/zinc/95/25/95/513952595.db2.gz NUBWQKYOGQPQMZ-QGZVFWFLSA-N 1 2 371.424 2.958 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000451762315 513963904 /nfs/dbraw/zinc/96/39/04/513963904.db2.gz WRIRQBQAVAEJGE-OYLFLEFRSA-N 1 2 368.568 2.884 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000451762315 513963912 /nfs/dbraw/zinc/96/39/12/513963912.db2.gz WRIRQBQAVAEJGE-OYLFLEFRSA-N 1 2 368.568 2.884 20 30 FFEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cc(C#N)[nH]c3C)CC2)c1 ZINC000448914075 513966496 /nfs/dbraw/zinc/96/64/96/513966496.db2.gz UDORUYYEWIYKEF-OAHLLOKOSA-N 1 2 352.438 2.722 20 30 FFEDLO C=CCC1(C(=O)N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)CCCCC1 ZINC000448976461 514003393 /nfs/dbraw/zinc/00/33/93/514003393.db2.gz UAGXPEWKOOHEOD-UHFFFAOYSA-N 1 2 363.546 2.916 20 30 FFEDLO C=CCC1(C(=O)N2CCC[N@H+](CC(=O)N(CC)CC)CC2)CCCCC1 ZINC000448976461 514003402 /nfs/dbraw/zinc/00/34/02/514003402.db2.gz UAGXPEWKOOHEOD-UHFFFAOYSA-N 1 2 363.546 2.916 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451877241 514039849 /nfs/dbraw/zinc/03/98/49/514039849.db2.gz HTOJJLFGMZJUOJ-CABCVRRESA-N 1 2 374.451 2.534 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451877241 514039852 /nfs/dbraw/zinc/03/98/52/514039852.db2.gz HTOJJLFGMZJUOJ-CABCVRRESA-N 1 2 374.451 2.534 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000426808300 514047612 /nfs/dbraw/zinc/04/76/12/514047612.db2.gz RCLKHKWXIXDZDH-UHFFFAOYSA-N 1 2 371.404 2.826 20 30 FFEDLO COc1cc[nH+]cc1CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000431977263 514055782 /nfs/dbraw/zinc/05/57/82/514055782.db2.gz LARRDOMLJXDESA-UHFFFAOYSA-N 1 2 363.339 2.960 20 30 FFEDLO CCc1oc(C(=O)OC)cc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000427011656 514091638 /nfs/dbraw/zinc/09/16/38/514091638.db2.gz IAWUAHJYGPMZBW-UHFFFAOYSA-N 1 2 371.412 2.962 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1OC ZINC000449606703 514270075 /nfs/dbraw/zinc/27/00/75/514270075.db2.gz ZMEBCEVPRZAYJM-HNNXBMFYSA-N 1 2 368.424 2.996 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1OC ZINC000449606703 514270080 /nfs/dbraw/zinc/27/00/80/514270080.db2.gz ZMEBCEVPRZAYJM-HNNXBMFYSA-N 1 2 368.424 2.996 20 30 FFEDLO N#CCCn1cc(CNc2ccc(N3CCCC3)c[nH+]2)c(-c2ccncc2)n1 ZINC000432750536 514275614 /nfs/dbraw/zinc/27/56/14/514275614.db2.gz LYIDUKVVUIHIIN-UHFFFAOYSA-N 1 2 373.464 2.888 20 30 FFEDLO C=CCC[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C(=O)OCC ZINC000449654506 514284260 /nfs/dbraw/zinc/28/42/60/514284260.db2.gz FAXUTIOLZNSZMD-OAHLLOKOSA-N 1 2 357.410 2.793 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000420951495 514399350 /nfs/dbraw/zinc/39/93/50/514399350.db2.gz QYALKIDGZPSWIJ-AWEZNQCLSA-N 1 2 360.401 2.996 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000420951495 514399359 /nfs/dbraw/zinc/39/93/59/514399359.db2.gz QYALKIDGZPSWIJ-AWEZNQCLSA-N 1 2 360.401 2.996 20 30 FFEDLO CC1(C)CCCc2cc(C#N)c(N3CCN(Cc4[nH]cc[nH+]4)CC3)nc21 ZINC000428109367 514400202 /nfs/dbraw/zinc/40/02/02/514400202.db2.gz XGPJSYCBTOLWMM-UHFFFAOYSA-N 1 2 350.470 2.612 20 30 FFEDLO C=CCn1cc(C[NH2+]Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)nn1 ZINC000424172509 514406949 /nfs/dbraw/zinc/40/69/49/514406949.db2.gz OGCXOGDTEHRDCV-UHFFFAOYSA-N 1 2 366.469 2.624 20 30 FFEDLO CCc1csc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000438588519 514410120 /nfs/dbraw/zinc/41/01/20/514410120.db2.gz MFIJFXFYRCPJLH-UHFFFAOYSA-N 1 2 355.467 2.927 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)CC(C)(C)C#N)cc1OC ZINC000433303121 514451262 /nfs/dbraw/zinc/45/12/62/514451262.db2.gz KMVNZWKCGYHUJO-INIZCTEOSA-N 1 2 359.470 2.849 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)CC(C)(C)C#N)cc1OC ZINC000433303121 514451266 /nfs/dbraw/zinc/45/12/66/514451266.db2.gz KMVNZWKCGYHUJO-INIZCTEOSA-N 1 2 359.470 2.849 20 30 FFEDLO C[N@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)CC(C)(C)C#N ZINC000433311565 514454687 /nfs/dbraw/zinc/45/46/87/514454687.db2.gz IBCVKWQOLSWAKU-UHFFFAOYSA-N 1 2 357.376 2.725 20 30 FFEDLO C[N@@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)CC(C)(C)C#N ZINC000433311565 514454694 /nfs/dbraw/zinc/45/46/94/514454694.db2.gz IBCVKWQOLSWAKU-UHFFFAOYSA-N 1 2 357.376 2.725 20 30 FFEDLO N#Cc1ccccc1CS(=O)(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445544583 514491679 /nfs/dbraw/zinc/49/16/79/514491679.db2.gz REWXZQAMEQLCKL-UHFFFAOYSA-N 1 2 351.431 2.918 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000470712848 514583752 /nfs/dbraw/zinc/58/37/52/514583752.db2.gz FVVGENUIKAFRTM-OAQYLSRUSA-N 1 2 358.445 2.585 20 30 FFEDLO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000453273122 514584631 /nfs/dbraw/zinc/58/46/31/514584631.db2.gz IUAVMDPNQYEIDJ-SHZVTRLKSA-N 1 2 366.458 2.535 20 30 FFEDLO C=CC[C@@H](CC)NC(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000466322787 514610689 /nfs/dbraw/zinc/61/06/89/514610689.db2.gz RFESHFQLVROGFW-QGZVFWFLSA-N 1 2 361.486 2.886 20 30 FFEDLO Cc1cc(C)c2ncc(C#N)c(NCc3cc[nH+]c(N4CCOCC4)c3)c2c1 ZINC000461452434 514623371 /nfs/dbraw/zinc/62/33/71/514623371.db2.gz IZACXLPMARMBOQ-UHFFFAOYSA-N 1 2 373.460 2.989 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000461470749 514633661 /nfs/dbraw/zinc/63/36/61/514633661.db2.gz YDZUGISRPRGRJP-OAHLLOKOSA-N 1 2 360.417 2.524 20 30 FFEDLO N#Cc1ccc(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)s1 ZINC000488963471 514653387 /nfs/dbraw/zinc/65/33/87/514653387.db2.gz GBVZSTWBFNJCTL-UHFFFAOYSA-N 1 2 353.407 2.585 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc1 ZINC000470936312 514681116 /nfs/dbraw/zinc/68/11/16/514681116.db2.gz ZMCMVOANSJOIFZ-JXFKEZNVSA-N 1 2 371.481 2.831 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc1 ZINC000470936312 514681126 /nfs/dbraw/zinc/68/11/26/514681126.db2.gz ZMCMVOANSJOIFZ-JXFKEZNVSA-N 1 2 371.481 2.831 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475541109 514710146 /nfs/dbraw/zinc/71/01/46/514710146.db2.gz COZSNJDKINYCFR-UHFFFAOYSA-N 1 2 374.853 2.848 20 30 FFEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000502639903 514724628 /nfs/dbraw/zinc/72/46/28/514724628.db2.gz XJLJPJXQEFTNNV-HXUWFJFHSA-N 1 2 372.469 2.560 20 30 FFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455766241 514729225 /nfs/dbraw/zinc/72/92/25/514729225.db2.gz SXTRPGJGTXLERX-UHFFFAOYSA-N 1 2 356.817 2.664 20 30 FFEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455796058 514744077 /nfs/dbraw/zinc/74/40/77/514744077.db2.gz OWRVPQXOUKEOIE-AWEZNQCLSA-N 1 2 360.458 2.578 20 30 FFEDLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455796058 514744084 /nfs/dbraw/zinc/74/40/84/514744084.db2.gz OWRVPQXOUKEOIE-AWEZNQCLSA-N 1 2 360.458 2.578 20 30 FFEDLO N#Cc1cc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)ccn1 ZINC000475657637 514748293 /nfs/dbraw/zinc/74/82/93/514748293.db2.gz UNRIOYSRCULBRN-UHFFFAOYSA-N 1 2 371.404 2.842 20 30 FFEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000502821210 514793226 /nfs/dbraw/zinc/79/32/26/514793226.db2.gz FGDWZHAFVGJSBY-CQSZACIVSA-N 1 2 358.410 2.559 20 30 FFEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000502821210 514793234 /nfs/dbraw/zinc/79/32/34/514793234.db2.gz FGDWZHAFVGJSBY-CQSZACIVSA-N 1 2 358.410 2.559 20 30 FFEDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000475892780 514846462 /nfs/dbraw/zinc/84/64/62/514846462.db2.gz QDCAQWAFRXLYNG-ZDUSSCGKSA-N 1 2 356.394 2.640 20 30 FFEDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000475892780 514846467 /nfs/dbraw/zinc/84/64/67/514846467.db2.gz QDCAQWAFRXLYNG-ZDUSSCGKSA-N 1 2 356.394 2.640 20 30 FFEDLO COc1ccc(F)cc1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000476077522 514911022 /nfs/dbraw/zinc/91/10/22/514911022.db2.gz DEFXQEZNGLIMRS-UHFFFAOYSA-N 1 2 367.424 2.593 20 30 FFEDLO C=CCn1c(CCCC)nnc1N1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000508863475 514925929 /nfs/dbraw/zinc/92/59/29/514925929.db2.gz IRANHRSLFIHNQJ-UHFFFAOYSA-N 1 2 358.490 2.734 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc(Cl)cc1 ZINC000471661107 514974290 /nfs/dbraw/zinc/97/42/90/514974290.db2.gz ZZPOTANTGJSKTP-MRXNPFEDSA-N 1 2 353.813 2.803 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC(F)(C#N)CC1)c1ccccc1F ZINC000476293903 514986724 /nfs/dbraw/zinc/98/67/24/514986724.db2.gz DMAWMLXCIFFVOZ-OAHLLOKOSA-N 1 2 359.380 2.686 20 30 FFEDLO N#Cc1ccc(CS(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c(F)c1 ZINC000480677407 515039971 /nfs/dbraw/zinc/03/99/71/515039971.db2.gz DHCSKQXCUNZHSH-UHFFFAOYSA-N 1 2 370.409 2.707 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000453986849 515098342 /nfs/dbraw/zinc/09/83/42/515098342.db2.gz WYWHCWAVUIUDBQ-CJNGLKHVSA-N 1 2 354.410 2.599 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000454026854 515142851 /nfs/dbraw/zinc/14/28/51/515142851.db2.gz JCZLYDMCXQDRPJ-UHFFFAOYSA-N 1 2 353.422 2.908 20 30 FFEDLO C=CCC1(CNC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CCCC1 ZINC000456506321 515227606 /nfs/dbraw/zinc/22/76/06/515227606.db2.gz NFFDFTJQHNNJBK-QGZVFWFLSA-N 1 2 360.502 2.736 20 30 FFEDLO C=CCC1(CNC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CCCC1 ZINC000456506321 515227615 /nfs/dbraw/zinc/22/76/15/515227615.db2.gz NFFDFTJQHNNJBK-QGZVFWFLSA-N 1 2 360.502 2.736 20 30 FFEDLO CC[C@@H](C)c1ccccc1OCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000499333866 515289877 /nfs/dbraw/zinc/28/98/77/515289877.db2.gz UKXINJVYLCHLSM-GOSISDBHSA-N 1 2 373.497 2.653 20 30 FFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000481419753 515323214 /nfs/dbraw/zinc/32/32/14/515323214.db2.gz WYWHXCJJDDVWAD-AWEZNQCLSA-N 1 2 350.378 2.745 20 30 FFEDLO N#Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1Cl ZINC000499576896 515375702 /nfs/dbraw/zinc/37/57/02/515375702.db2.gz RMCULPLHRZTDJC-UHFFFAOYSA-N 1 2 371.828 2.765 20 30 FFEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000491328758 515416176 /nfs/dbraw/zinc/41/61/76/515416176.db2.gz JTIONZHAUKPODO-UHFFFAOYSA-N 1 2 359.382 2.866 20 30 FFEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000491328758 515416179 /nfs/dbraw/zinc/41/61/79/515416179.db2.gz JTIONZHAUKPODO-UHFFFAOYSA-N 1 2 359.382 2.866 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)C1=O ZINC000499772582 515448511 /nfs/dbraw/zinc/44/85/11/515448511.db2.gz LPPZGIUEBNDIHD-GOSISDBHSA-N 1 2 358.873 2.863 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)C1=O ZINC000499772582 515448519 /nfs/dbraw/zinc/44/85/19/515448519.db2.gz LPPZGIUEBNDIHD-GOSISDBHSA-N 1 2 358.873 2.863 20 30 FFEDLO Cc1cc(C)c(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c[nH+]1 ZINC000456870538 515470028 /nfs/dbraw/zinc/47/00/28/515470028.db2.gz ZMJXXWKJQDFEDD-UHFFFAOYSA-N 1 2 371.462 2.706 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(=O)[nH]c(C4CC4)n3)CC2)c(Cl)c1 ZINC000459433467 515548903 /nfs/dbraw/zinc/54/89/03/515548903.db2.gz SWCFLNDQTPMCJJ-UHFFFAOYSA-N 1 2 369.856 2.907 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1=O ZINC000500014990 515560470 /nfs/dbraw/zinc/56/04/70/515560470.db2.gz CMLVKFXTENXDMW-MJGOQNOKSA-N 1 2 357.498 2.531 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1=O ZINC000500014990 515560477 /nfs/dbraw/zinc/56/04/77/515560477.db2.gz CMLVKFXTENXDMW-MJGOQNOKSA-N 1 2 357.498 2.531 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)C1=O ZINC000500022540 515561364 /nfs/dbraw/zinc/56/13/64/515561364.db2.gz BVZIMUAPDDGUJH-FCEWJHQRSA-N 1 2 357.498 2.533 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)C1=O ZINC000500022540 515561371 /nfs/dbraw/zinc/56/13/71/515561371.db2.gz BVZIMUAPDDGUJH-FCEWJHQRSA-N 1 2 357.498 2.533 20 30 FFEDLO Cc1cccc(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c1C#N ZINC000463848172 515638599 /nfs/dbraw/zinc/63/85/99/515638599.db2.gz PIAYTUYWZFFWMW-UHFFFAOYSA-N 1 2 352.419 2.735 20 30 FFEDLO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000500433902 515709010 /nfs/dbraw/zinc/70/90/10/515709010.db2.gz VBGIWNLIRXUIQP-UHFFFAOYSA-N 1 2 370.819 2.944 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC000500470490 515728049 /nfs/dbraw/zinc/72/80/49/515728049.db2.gz RPURKGBKBYFQJL-OAHLLOKOSA-N 1 2 361.511 2.894 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC000500470490 515728055 /nfs/dbraw/zinc/72/80/55/515728055.db2.gz RPURKGBKBYFQJL-OAHLLOKOSA-N 1 2 361.511 2.894 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@H](O)C3(CC3)C2)c1C#N ZINC000494447835 515849199 /nfs/dbraw/zinc/84/91/99/515849199.db2.gz CFUFMUZKLZQBSI-SFHVURJKSA-N 1 2 370.497 2.877 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@H](O)C3(CC3)C2)c1C#N ZINC000494447835 515849204 /nfs/dbraw/zinc/84/92/04/515849204.db2.gz CFUFMUZKLZQBSI-SFHVURJKSA-N 1 2 370.497 2.877 20 30 FFEDLO CCOC1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000455021121 515900120 /nfs/dbraw/zinc/90/01/20/515900120.db2.gz HISFXJNXILLOJN-UHFFFAOYSA-N 1 2 370.497 2.735 20 30 FFEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(C#N)o2)c2ccc(Cl)cc2)C1 ZINC000494633624 515904920 /nfs/dbraw/zinc/90/49/20/515904920.db2.gz XJQPKNHXNGDRQO-SJORKVTESA-N 1 2 359.813 2.606 20 30 FFEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(C#N)o2)c2ccc(Cl)cc2)C1 ZINC000494633624 515904929 /nfs/dbraw/zinc/90/49/29/515904929.db2.gz XJQPKNHXNGDRQO-SJORKVTESA-N 1 2 359.813 2.606 20 30 FFEDLO C[C@H]1CCc2nc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)sc2C1 ZINC000506633684 515938149 /nfs/dbraw/zinc/93/81/49/515938149.db2.gz PRDZUPIFVJZUJG-AWEZNQCLSA-N 1 2 353.495 2.857 20 30 FFEDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000464777747 515955054 /nfs/dbraw/zinc/95/50/54/515955054.db2.gz NHIDCZGLIHIAOM-IBGZPJMESA-N 1 2 351.406 2.733 20 30 FFEDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000464777747 515955062 /nfs/dbraw/zinc/95/50/62/515955062.db2.gz NHIDCZGLIHIAOM-IBGZPJMESA-N 1 2 351.406 2.733 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H](C)c2nncn2C)c1C#N ZINC000494793310 515965381 /nfs/dbraw/zinc/96/53/81/515965381.db2.gz UOWQBPOXUNELHR-CYBMUJFWSA-N 1 2 369.473 2.510 20 30 FFEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000511705431 516007574 /nfs/dbraw/zinc/00/75/74/516007574.db2.gz VWTAAIWGPKQUSU-UHFFFAOYSA-N 1 2 372.363 2.743 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1C#N ZINC000483318805 516030725 /nfs/dbraw/zinc/03/07/25/516030725.db2.gz CUNREZZFGGDXAS-UHFFFAOYSA-N 1 2 360.483 2.518 20 30 FFEDLO C=CCCC1(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1 ZINC000474420220 516038359 /nfs/dbraw/zinc/03/83/59/516038359.db2.gz DEQIVFVXOAGPSB-UHFFFAOYSA-N 1 2 355.482 2.952 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc1Cl ZINC000507133830 516099832 /nfs/dbraw/zinc/09/98/32/516099832.db2.gz GAQDYGOSYINIQB-HNNXBMFYSA-N 1 2 372.918 2.809 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc1Cl ZINC000507133830 516099841 /nfs/dbraw/zinc/09/98/41/516099841.db2.gz GAQDYGOSYINIQB-HNNXBMFYSA-N 1 2 372.918 2.809 20 30 FFEDLO C=CC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000470170837 516161123 /nfs/dbraw/zinc/16/11/23/516161123.db2.gz AWPFPCBKZBDTEA-IDKBZEPQSA-N 1 2 350.440 2.673 20 30 FFEDLO C=CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000470170837 516161132 /nfs/dbraw/zinc/16/11/32/516161132.db2.gz AWPFPCBKZBDTEA-IDKBZEPQSA-N 1 2 350.440 2.673 20 30 FFEDLO C[N@H+](CCc1nc(-c2ccccc2)no1)CC(=O)Nc1cccc(C#N)c1 ZINC000512178254 516184942 /nfs/dbraw/zinc/18/49/42/516184942.db2.gz INQAWKHZFRSACY-UHFFFAOYSA-N 1 2 361.405 2.721 20 30 FFEDLO C[N@@H+](CCc1nc(-c2ccccc2)no1)CC(=O)Nc1cccc(C#N)c1 ZINC000512178254 516184958 /nfs/dbraw/zinc/18/49/58/516184958.db2.gz INQAWKHZFRSACY-UHFFFAOYSA-N 1 2 361.405 2.721 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000507446840 516213531 /nfs/dbraw/zinc/21/35/31/516213531.db2.gz FSPZZVXXOZNIRE-KRWDZBQOSA-N 1 2 352.438 2.745 20 30 FFEDLO Cc1ccc([C@@H](CNC(=O)NCC(C)(C)CC#N)[NH+]2CCOCC2)cc1 ZINC000457948157 516248582 /nfs/dbraw/zinc/24/85/82/516248582.db2.gz ZDGJIQLKUZCWAG-GOSISDBHSA-N 1 2 358.486 2.607 20 30 FFEDLO C=C(C)CNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000488540590 516254492 /nfs/dbraw/zinc/25/44/92/516254492.db2.gz HPJYTTUTKLBPDZ-UHFFFAOYSA-N 1 2 351.248 2.823 20 30 FFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1nn2c(nc(C)cc2=O)s1 ZINC000512507147 516298578 /nfs/dbraw/zinc/29/85/78/516298578.db2.gz VIPUHOXESLVLSA-UHFFFAOYSA-N 1 2 372.498 2.815 20 30 FFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1nn2c(nc(C)cc2=O)s1 ZINC000512507147 516298582 /nfs/dbraw/zinc/29/85/82/516298582.db2.gz VIPUHOXESLVLSA-UHFFFAOYSA-N 1 2 372.498 2.815 20 30 FFEDLO C=CCn1cccc1C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000488753640 516301026 /nfs/dbraw/zinc/30/10/26/516301026.db2.gz RSUJHZNMCVWAKS-QGZVFWFLSA-N 1 2 359.495 2.881 20 30 FFEDLO CCNc1nc(N[C@H](CCC#N)c2ccccc2)nc(NC(C)(C)C)[nH+]1 ZINC000557644519 516355529 /nfs/dbraw/zinc/35/55/29/516355529.db2.gz QBELJCOBBOQSKX-OAHLLOKOSA-N 1 2 353.474 2.815 20 30 FFEDLO CCNc1nc(NC(C)(C)C)nc(N[C@H](CCC#N)c2ccccc2)[nH+]1 ZINC000557644519 516355543 /nfs/dbraw/zinc/35/55/43/516355543.db2.gz QBELJCOBBOQSKX-OAHLLOKOSA-N 1 2 353.474 2.815 20 30 FFEDLO CCNc1nc(N[C@H](CCC#N)c2ccccc2)[nH+]c(NC(C)(C)C)n1 ZINC000557644519 516355550 /nfs/dbraw/zinc/35/55/50/516355550.db2.gz QBELJCOBBOQSKX-OAHLLOKOSA-N 1 2 353.474 2.815 20 30 FFEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000528439937 516438418 /nfs/dbraw/zinc/43/84/18/516438418.db2.gz POCNDRNCTYVJEW-FQEVSTJZSA-N 1 2 357.404 2.840 20 30 FFEDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000528483517 516471463 /nfs/dbraw/zinc/47/14/63/516471463.db2.gz AXQQUQGTIDEXHU-ROUUACIJSA-N 1 2 354.454 2.742 20 30 FFEDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000528483517 516471473 /nfs/dbraw/zinc/47/14/73/516471473.db2.gz AXQQUQGTIDEXHU-ROUUACIJSA-N 1 2 354.454 2.742 20 30 FFEDLO N#CC1(C[C@@H](O)C[NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)CC1 ZINC000528483882 516471728 /nfs/dbraw/zinc/47/17/28/516471728.db2.gz HYFIWSAZOFFTMN-MRXNPFEDSA-N 1 2 369.490 2.714 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OCC ZINC000535904394 516550900 /nfs/dbraw/zinc/55/09/00/516550900.db2.gz DVFFXZSNSOFBRY-QGZVFWFLSA-N 1 2 360.502 2.928 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000547970919 516666219 /nfs/dbraw/zinc/66/62/19/516666219.db2.gz YZNOJSMRPQRMLU-MLGOLLRUSA-N 1 2 359.495 2.672 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000547970919 516666230 /nfs/dbraw/zinc/66/62/30/516666230.db2.gz YZNOJSMRPQRMLU-MLGOLLRUSA-N 1 2 359.495 2.672 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c2ccccc21 ZINC000528785224 516695435 /nfs/dbraw/zinc/69/54/35/516695435.db2.gz REESKQUDNXXFEY-YQHYCNIYSA-N 1 2 369.490 2.723 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c2ccccc21 ZINC000528785224 516695444 /nfs/dbraw/zinc/69/54/44/516695444.db2.gz REESKQUDNXXFEY-YQHYCNIYSA-N 1 2 369.490 2.723 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000551464458 516718292 /nfs/dbraw/zinc/71/82/92/516718292.db2.gz FOPWWVFLPPDCBN-ZDUSSCGKSA-N 1 2 364.287 2.815 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2ccc(Br)cc2C1 ZINC000551464458 516718301 /nfs/dbraw/zinc/71/83/01/516718301.db2.gz FOPWWVFLPPDCBN-ZDUSSCGKSA-N 1 2 364.287 2.815 20 30 FFEDLO Cc1cc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)n(CCC#N)n1 ZINC000524461507 516727119 /nfs/dbraw/zinc/72/71/19/516727119.db2.gz VHIBJHXKHRLCFK-UHFFFAOYSA-N 1 2 368.466 2.933 20 30 FFEDLO C=CCCCNC(=O)C(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000561761227 516753298 /nfs/dbraw/zinc/75/32/98/516753298.db2.gz VSJDKQKVYNGAAE-OAHLLOKOSA-N 1 2 363.889 2.628 20 30 FFEDLO N#Cc1csc(C[NH2+][C@H](CCO)c2ccccc2Br)n1 ZINC000558486463 516773533 /nfs/dbraw/zinc/77/35/33/516773533.db2.gz ZYRYBTZSNYIFLN-CYBMUJFWSA-N 1 2 352.257 2.991 20 30 FFEDLO C=CCCCCCN(C)C(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000551628635 516793817 /nfs/dbraw/zinc/79/38/17/516793817.db2.gz QSRDDOUJVVVTDJ-UHFFFAOYSA-N 1 2 354.454 2.693 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+](CC(=O)OC)C2CCOCC2)ccc1OC ZINC000536696479 516898322 /nfs/dbraw/zinc/89/83/22/516898322.db2.gz PTTPYYGVJTZDDF-UHFFFAOYSA-N 1 2 363.454 2.804 20 30 FFEDLO C=C(C)COc1cc(C[N@H+](CC(=O)OC)C2CCOCC2)ccc1OC ZINC000536696479 516898330 /nfs/dbraw/zinc/89/83/30/516898330.db2.gz PTTPYYGVJTZDDF-UHFFFAOYSA-N 1 2 363.454 2.804 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000558864371 516977692 /nfs/dbraw/zinc/97/76/92/516977692.db2.gz RWOMVASDGRUOMF-INIZCTEOSA-N 1 2 367.396 2.645 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000558864371 516977700 /nfs/dbraw/zinc/97/77/00/516977700.db2.gz RWOMVASDGRUOMF-INIZCTEOSA-N 1 2 367.396 2.645 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(OCCc3ccccc3)CC2)cc1 ZINC000532578356 517042818 /nfs/dbraw/zinc/04/28/18/517042818.db2.gz UYDIXXVMNNNKHF-NRFANRHFSA-N 1 2 363.461 2.808 20 30 FFEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2c2ccc(Br)cn2)C1=O ZINC000514802222 517064673 /nfs/dbraw/zinc/06/46/73/517064673.db2.gz UKXFURMZFKQDDL-CABCVRRESA-N 1 2 350.260 2.768 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)C1=O ZINC000514802222 517064684 /nfs/dbraw/zinc/06/46/84/517064684.db2.gz UKXFURMZFKQDDL-CABCVRRESA-N 1 2 350.260 2.768 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000552137344 517102930 /nfs/dbraw/zinc/10/29/30/517102930.db2.gz PFWALCYLOCPFJS-FQEVSTJZSA-N 1 2 362.433 2.723 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000552137344 517102937 /nfs/dbraw/zinc/10/29/37/517102937.db2.gz PFWALCYLOCPFJS-FQEVSTJZSA-N 1 2 362.433 2.723 20 30 FFEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000514906471 517115745 /nfs/dbraw/zinc/11/57/45/517115745.db2.gz AQKPYJWRIALPGZ-OCCSQVGLSA-N 1 2 350.344 2.844 20 30 FFEDLO C=CCN(C(=O)[C@H](C)[NH+]1CCSCC1)c1nc2c(s1)CCCC2 ZINC000532763763 517134908 /nfs/dbraw/zinc/13/49/08/517134908.db2.gz LCBHVOOKVJUFPX-ZDUSSCGKSA-N 1 2 351.541 2.978 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1Cl ZINC000514972167 517149151 /nfs/dbraw/zinc/14/91/51/517149151.db2.gz IBLCTWKPCOBLSH-HNNXBMFYSA-N 1 2 372.918 2.761 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1Cl ZINC000514972167 517149159 /nfs/dbraw/zinc/14/91/59/517149159.db2.gz IBLCTWKPCOBLSH-HNNXBMFYSA-N 1 2 372.918 2.761 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1C#N ZINC000515127069 517220971 /nfs/dbraw/zinc/22/09/71/517220971.db2.gz VQXIAJSHSNFFBJ-PZJWPPBQSA-N 1 2 368.408 2.645 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1C#N ZINC000515127069 517220979 /nfs/dbraw/zinc/22/09/79/517220979.db2.gz VQXIAJSHSNFFBJ-PZJWPPBQSA-N 1 2 368.408 2.645 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000532970142 517229256 /nfs/dbraw/zinc/22/92/56/517229256.db2.gz WDEFDSOXFXVTRJ-IUODEOHRSA-N 1 2 355.360 2.929 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000532970142 517229266 /nfs/dbraw/zinc/22/92/66/517229266.db2.gz WDEFDSOXFXVTRJ-IUODEOHRSA-N 1 2 355.360 2.929 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000515463949 517361181 /nfs/dbraw/zinc/36/11/81/517361181.db2.gz NHRVQYWYTYFVRL-OWCLPIDISA-N 1 2 360.845 2.806 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000515469111 517366735 /nfs/dbraw/zinc/36/67/35/517366735.db2.gz SGWKBUIJWCEITR-NBMRYCAZSA-N 1 2 365.424 2.600 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000515469111 517366746 /nfs/dbraw/zinc/36/67/46/517366746.db2.gz SGWKBUIJWCEITR-NBMRYCAZSA-N 1 2 365.424 2.600 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000559668192 517370284 /nfs/dbraw/zinc/37/02/84/517370284.db2.gz ARZCVZNBHMDPJF-QGZVFWFLSA-N 1 2 372.513 2.795 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c1C#N ZINC000545924348 517438565 /nfs/dbraw/zinc/43/85/65/517438565.db2.gz AZXSZCDSHLVKNK-OAHLLOKOSA-N 1 2 358.438 2.899 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c1C#N ZINC000545924348 517438575 /nfs/dbraw/zinc/43/85/75/517438575.db2.gz AZXSZCDSHLVKNK-OAHLLOKOSA-N 1 2 358.438 2.899 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000533434862 517461188 /nfs/dbraw/zinc/46/11/88/517461188.db2.gz CWPJQUXJTXSEEA-HKUYNNGSSA-N 1 2 355.482 2.703 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000533434862 517461199 /nfs/dbraw/zinc/46/11/99/517461199.db2.gz CWPJQUXJTXSEEA-HKUYNNGSSA-N 1 2 355.482 2.703 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc4ccccc4c(=O)o3)CC2)cc1 ZINC000520633227 517464362 /nfs/dbraw/zinc/46/43/62/517464362.db2.gz JXYFJNCYRMLTQA-UHFFFAOYSA-N 1 2 373.412 2.623 20 30 FFEDLO C=C(C)Cn1c(CCC(C)C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000549256504 517479469 /nfs/dbraw/zinc/47/94/69/517479469.db2.gz NAJFIFMTIMERFM-UHFFFAOYSA-N 1 2 369.517 2.868 20 30 FFEDLO CC(C)c1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc(=O)[nH]1 ZINC000538250095 517524378 /nfs/dbraw/zinc/52/43/78/517524378.db2.gz WMMYAIAERHFCFB-UHFFFAOYSA-N 1 2 364.449 2.740 20 30 FFEDLO C=CC[N@@H+](Cc1nc(C(C)C)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520938280 517555779 /nfs/dbraw/zinc/55/57/79/517555779.db2.gz RUCNETXMGOYWDG-AWEZNQCLSA-N 1 2 353.430 2.918 20 30 FFEDLO C=CC[N@H+](Cc1nc(C(C)C)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520938280 517555789 /nfs/dbraw/zinc/55/57/89/517555789.db2.gz RUCNETXMGOYWDG-AWEZNQCLSA-N 1 2 353.430 2.918 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(Cl)cc(Br)c1F ZINC000563220228 517748812 /nfs/dbraw/zinc/74/88/12/517748812.db2.gz IDFVXSQQWXQVSG-ZDUSSCGKSA-N 1 2 362.630 2.815 20 30 FFEDLO Cc1nc2cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc2n1-c1ccccc1 ZINC000563220978 517750317 /nfs/dbraw/zinc/75/03/17/517750317.db2.gz YDPXHRXHRLDOBD-OAQYLSRUSA-N 1 2 361.449 2.908 20 30 FFEDLO N#Cc1csc(C[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)n1 ZINC000563233568 517759578 /nfs/dbraw/zinc/75/95/78/517759578.db2.gz IZAQWBPTOGUVGS-HNNXBMFYSA-N 1 2 362.405 2.574 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000553523031 517760767 /nfs/dbraw/zinc/76/07/67/517760767.db2.gz CEEGJJHSIVJNDO-CRAIPNDOSA-N 1 2 367.428 2.525 20 30 FFEDLO C=CC[C@H]1N(C(=O)C(=O)NCc2cn3ccccc3[nH+]2)CCCC1(C)C ZINC000550076321 517850173 /nfs/dbraw/zinc/85/01/73/517850173.db2.gz NWZOFYKUKVKUGD-MRXNPFEDSA-N 1 2 354.454 2.544 20 30 FFEDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000546809324 517867362 /nfs/dbraw/zinc/86/73/62/517867362.db2.gz IMEVWXYPGSFXTP-DTWKUNHWSA-N 1 2 361.496 2.946 20 30 FFEDLO C=C(CC)CSc1nnc([C@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000539118300 517922554 /nfs/dbraw/zinc/92/25/54/517922554.db2.gz YBQIJMMIUDJNTE-INIZCTEOSA-N 1 2 367.563 2.681 20 30 FFEDLO N#Cc1ccnc(C(=O)NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)c1 ZINC000550250593 517951605 /nfs/dbraw/zinc/95/16/05/517951605.db2.gz QBTQASCLIQZIIQ-UHFFFAOYSA-N 1 2 369.428 2.841 20 30 FFEDLO N#CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000543207600 517969066 /nfs/dbraw/zinc/96/90/66/517969066.db2.gz GYKKPHIJNFBVBO-UHFFFAOYSA-N 1 2 355.388 2.989 20 30 FFEDLO N#CCCC[N@H+](CCN1CCOCC1)Cc1sccc1Br ZINC000553943820 517983644 /nfs/dbraw/zinc/98/36/44/517983644.db2.gz LROJCMVJZATJNL-UHFFFAOYSA-N 1 2 372.332 2.949 20 30 FFEDLO N#CCCC[N@@H+](CCN1CCOCC1)Cc1sccc1Br ZINC000553943820 517983650 /nfs/dbraw/zinc/98/36/50/517983650.db2.gz LROJCMVJZATJNL-UHFFFAOYSA-N 1 2 372.332 2.949 20 30 FFEDLO N#CCCCN(CC[NH+]1CCOCC1)Cc1sccc1Br ZINC000553943820 517983661 /nfs/dbraw/zinc/98/36/61/517983661.db2.gz LROJCMVJZATJNL-UHFFFAOYSA-N 1 2 372.332 2.949 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccn(-c4ccc(F)cc4)n3)C2)nc1 ZINC000517212291 518064635 /nfs/dbraw/zinc/06/46/35/518064635.db2.gz JYGRCWNUGIHITR-IBGZPJMESA-N 1 2 363.396 2.931 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccn(-c4ccc(F)cc4)n3)C2)nc1 ZINC000517212291 518064647 /nfs/dbraw/zinc/06/46/47/518064647.db2.gz JYGRCWNUGIHITR-IBGZPJMESA-N 1 2 363.396 2.931 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@H](C)c2nc(C)no2)c(OC)c1 ZINC000563969549 518253353 /nfs/dbraw/zinc/25/33/53/518253353.db2.gz YQIFMFWDKACKKB-CJNGLKHVSA-N 1 2 361.442 2.548 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@H](C)c2nc(C)no2)c(OC)c1 ZINC000563969549 518253356 /nfs/dbraw/zinc/25/33/56/518253356.db2.gz YQIFMFWDKACKKB-CJNGLKHVSA-N 1 2 361.442 2.548 20 30 FFEDLO COC(=O)C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CCOCC1 ZINC000572773307 518355752 /nfs/dbraw/zinc/35/57/52/518355752.db2.gz KJIXTRDCNNSIFB-UHFFFAOYSA-N 1 2 356.344 2.731 20 30 FFEDLO COC(=O)C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CCOCC1 ZINC000572773307 518355757 /nfs/dbraw/zinc/35/57/57/518355757.db2.gz KJIXTRDCNNSIFB-UHFFFAOYSA-N 1 2 356.344 2.731 20 30 FFEDLO COC(=O)c1oc([C@H](C)[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1C ZINC000564255855 518370872 /nfs/dbraw/zinc/37/08/72/518370872.db2.gz FGUBDBLCYPREPD-ZDUSSCGKSA-N 1 2 374.466 2.894 20 30 FFEDLO C=CCCCCCNC(=O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000581736651 518431374 /nfs/dbraw/zinc/43/13/74/518431374.db2.gz CWDXSZCFJGOSFN-UHFFFAOYSA-N 1 2 358.486 2.551 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000570108607 518443175 /nfs/dbraw/zinc/44/31/75/518443175.db2.gz NDBNLFGMBLVTPY-LJQANCHMSA-N 1 2 371.462 2.760 20 30 FFEDLO N#Cc1ccc(NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1F ZINC000564429162 518449502 /nfs/dbraw/zinc/44/95/02/518449502.db2.gz MBFGMHHCAJWZRA-LJQANCHMSA-N 1 2 368.412 2.892 20 30 FFEDLO CC(C)(C)c1ccc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)cc1 ZINC000564506129 518478094 /nfs/dbraw/zinc/47/80/94/518478094.db2.gz SNNVTSQCDOSQNB-UHFFFAOYSA-N 1 2 365.477 2.898 20 30 FFEDLO C[N@H+](Cc1nc(C#N)cs1)[C@H](CO)c1cccc(Br)c1 ZINC000564527583 518487115 /nfs/dbraw/zinc/48/71/15/518487115.db2.gz DJZMYPBJXRXDSC-CYBMUJFWSA-N 1 2 352.257 2.943 20 30 FFEDLO C[N@@H+](Cc1nc(C#N)cs1)[C@H](CO)c1cccc(Br)c1 ZINC000564527583 518487119 /nfs/dbraw/zinc/48/71/19/518487119.db2.gz DJZMYPBJXRXDSC-CYBMUJFWSA-N 1 2 352.257 2.943 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(OC(F)(F)F)cc1 ZINC000579320980 518623382 /nfs/dbraw/zinc/62/33/82/518623382.db2.gz FWOMNOKPKYUPQT-TZMCWYRMSA-N 1 2 364.327 2.725 20 30 FFEDLO Cc1ccc(Cl)cc1N1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000576519745 518633364 /nfs/dbraw/zinc/63/33/64/518633364.db2.gz NJLUCUCJPDCOFQ-UHFFFAOYSA-N 1 2 366.856 2.885 20 30 FFEDLO COc1cc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)ccc1C#N ZINC000570767715 518768414 /nfs/dbraw/zinc/76/84/14/518768414.db2.gz FGPFYDJTEYSYBD-MRXNPFEDSA-N 1 2 374.238 2.646 20 30 FFEDLO CCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(OC)cc1 ZINC000588956466 518879020 /nfs/dbraw/zinc/87/90/20/518879020.db2.gz GDSCZUMGTQBINT-UHFFFAOYSA-N 1 2 373.478 2.648 20 30 FFEDLO CCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(OC)cc1 ZINC000588956466 518879027 /nfs/dbraw/zinc/87/90/27/518879027.db2.gz GDSCZUMGTQBINT-UHFFFAOYSA-N 1 2 373.478 2.648 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCc2cccc(F)c2)C2CC2)nc1 ZINC000588960191 518881177 /nfs/dbraw/zinc/88/11/77/518881177.db2.gz FIUSWUIRDOQKOF-UHFFFAOYSA-N 1 2 373.453 2.573 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](CCc2cccc(F)c2)C2CC2)nc1 ZINC000588960191 518881180 /nfs/dbraw/zinc/88/11/80/518881180.db2.gz FIUSWUIRDOQKOF-UHFFFAOYSA-N 1 2 373.453 2.573 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000571076865 518915529 /nfs/dbraw/zinc/91/55/29/518915529.db2.gz QXEVZTLHLDFKPA-YSIASYRMSA-N 1 2 370.497 2.611 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000565368993 518922003 /nfs/dbraw/zinc/92/20/03/518922003.db2.gz WEQVGTRQGZXWPO-INIZCTEOSA-N 1 2 350.875 2.842 20 30 FFEDLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000573964683 518922519 /nfs/dbraw/zinc/92/25/19/518922519.db2.gz QLQFFUYTXZYNLM-UHFFFAOYSA-N 1 2 353.304 2.555 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(O)cc(C#N)c1)c1ccc(F)cc1 ZINC000589164471 518935784 /nfs/dbraw/zinc/93/57/84/518935784.db2.gz JNZLUQGMSOWIEE-QGZVFWFLSA-N 1 2 350.353 2.656 20 30 FFEDLO Cc1nsc(N2CCN(Cc3cn4cccc(C)c4[nH+]3)CC2)c1C#N ZINC000589285171 518973365 /nfs/dbraw/zinc/97/33/65/518973365.db2.gz SHUHQHRXCVANAX-UHFFFAOYSA-N 1 2 352.467 2.602 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000568358476 518997899 /nfs/dbraw/zinc/99/78/99/518997899.db2.gz WBHMXLAVSVBECB-WCXIOVBPSA-N 1 2 367.852 2.867 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000568358476 518997904 /nfs/dbraw/zinc/99/79/04/518997904.db2.gz WBHMXLAVSVBECB-WCXIOVBPSA-N 1 2 367.852 2.867 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)c2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000589462381 519009362 /nfs/dbraw/zinc/00/93/62/519009362.db2.gz VFMYQNBTCNRZET-DOTOQJQBSA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)c2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000589462381 519009366 /nfs/dbraw/zinc/00/93/66/519009366.db2.gz VFMYQNBTCNRZET-DOTOQJQBSA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000589462386 519010084 /nfs/dbraw/zinc/01/00/84/519010084.db2.gz VFMYQNBTCNRZET-WBVHZDCISA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)c2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000589462386 519010092 /nfs/dbraw/zinc/01/00/92/519010092.db2.gz VFMYQNBTCNRZET-WBVHZDCISA-N 1 2 358.804 2.921 20 30 FFEDLO CCC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000580537516 519227743 /nfs/dbraw/zinc/22/77/43/519227743.db2.gz SJQRQUZQQMDZFA-AWEZNQCLSA-N 1 2 360.401 2.976 20 30 FFEDLO CCC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000580537516 519227749 /nfs/dbraw/zinc/22/77/49/519227749.db2.gz SJQRQUZQQMDZFA-AWEZNQCLSA-N 1 2 360.401 2.976 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCCc2c(cnn2C)C1 ZINC000583427167 519241822 /nfs/dbraw/zinc/24/18/22/519241822.db2.gz JOIRSUBTCAOSPA-INIZCTEOSA-N 1 2 351.454 2.504 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCCc2c(cnn2C)C1 ZINC000583427167 519241829 /nfs/dbraw/zinc/24/18/29/519241829.db2.gz JOIRSUBTCAOSPA-INIZCTEOSA-N 1 2 351.454 2.504 20 30 FFEDLO C[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccc(Br)cc1 ZINC000583444096 519250917 /nfs/dbraw/zinc/25/09/17/519250917.db2.gz NBEFLNSWFIKSEU-BLLLJJGKSA-N 1 2 352.276 2.903 20 30 FFEDLO COC(=O)c1cc([C@@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)oc1C ZINC000577815852 519266572 /nfs/dbraw/zinc/26/65/72/519266572.db2.gz BJWZPJFNRMRMRF-CYBMUJFWSA-N 1 2 354.410 2.525 20 30 FFEDLO CSCC[C@@](C)(C#N)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000571917006 519346799 /nfs/dbraw/zinc/34/67/99/519346799.db2.gz FWIHCRUPLDDXNI-INIZCTEOSA-N 1 2 352.410 2.775 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)nc1 ZINC000574867939 519374658 /nfs/dbraw/zinc/37/46/58/519374658.db2.gz IRCPLBCGIDSOFU-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)nc1 ZINC000574867939 519374667 /nfs/dbraw/zinc/37/46/67/519374667.db2.gz IRCPLBCGIDSOFU-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)c(F)c1 ZINC000566290818 519414800 /nfs/dbraw/zinc/41/48/00/519414800.db2.gz AUONTZANCCVOJB-OAHLLOKOSA-N 1 2 368.412 2.526 20 30 FFEDLO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(CC#N)cc2Cl)c2[nH+]ccn21 ZINC000574958061 519421782 /nfs/dbraw/zinc/42/17/82/519421782.db2.gz UNGYTHSIQIHZSH-GXFFZTMASA-N 1 2 350.831 2.587 20 30 FFEDLO N#CCCC1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000572115705 519451843 /nfs/dbraw/zinc/45/18/43/519451843.db2.gz BYBKMUVMSOUSHY-HXUWFJFHSA-N 1 2 370.497 2.613 20 30 FFEDLO N#CCCC1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000572115705 519451851 /nfs/dbraw/zinc/45/18/51/519451851.db2.gz BYBKMUVMSOUSHY-HXUWFJFHSA-N 1 2 370.497 2.613 20 30 FFEDLO N#Cc1csc(C[N@@H+](CCO)Cc2cccc(Br)c2)n1 ZINC000569327598 519493601 /nfs/dbraw/zinc/49/36/01/519493601.db2.gz COALELYJUHJWSZ-UHFFFAOYSA-N 1 2 352.257 2.772 20 30 FFEDLO N#Cc1csc(C[N@H+](CCO)Cc2cccc(Br)c2)n1 ZINC000569327598 519493611 /nfs/dbraw/zinc/49/36/11/519493611.db2.gz COALELYJUHJWSZ-UHFFFAOYSA-N 1 2 352.257 2.772 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000572291470 519539464 /nfs/dbraw/zinc/53/94/64/519539464.db2.gz OMQWFXWEXBKXGA-HXUWFJFHSA-N 1 2 368.412 2.652 20 30 FFEDLO CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602856687 519928547 /nfs/dbraw/zinc/92/85/47/519928547.db2.gz MBMKXSZZMVBMRD-DMUMMCEESA-N 1 2 356.514 2.951 20 30 FFEDLO CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602856687 519928556 /nfs/dbraw/zinc/92/85/56/519928556.db2.gz MBMKXSZZMVBMRD-DMUMMCEESA-N 1 2 356.514 2.951 20 30 FFEDLO C[C@@H]1C[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H](C)N1CC#N ZINC000602855468 519928999 /nfs/dbraw/zinc/92/89/99/519928999.db2.gz UYKRLIGARVEYBG-HUUCEWRRSA-N 1 2 351.372 2.855 20 30 FFEDLO C[C@@H]1C[NH+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C[C@@H](C)N1CC#N ZINC000602858869 519930926 /nfs/dbraw/zinc/93/09/26/519930926.db2.gz CIFPYBGJQYRKTD-HMFYCAOWSA-N 1 2 368.525 2.952 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858406 519932409 /nfs/dbraw/zinc/93/24/09/519932409.db2.gz AVTKSCWKRYIVSH-IXDOHACOSA-N 1 2 360.527 2.569 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858406 519932412 /nfs/dbraw/zinc/93/24/12/519932412.db2.gz AVTKSCWKRYIVSH-IXDOHACOSA-N 1 2 360.527 2.569 20 30 FFEDLO COc1cc(CNC(=O)C[NH2+][C@@H](C)CC#N)ccc1OCc1ccccc1 ZINC000602860654 519933226 /nfs/dbraw/zinc/93/32/26/519933226.db2.gz DAUBQTQTDLRFNK-INIZCTEOSA-N 1 2 367.449 2.782 20 30 FFEDLO N#CC1(C[C@@H](O)C[NH+]2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)CC1 ZINC000602877713 519943929 /nfs/dbraw/zinc/94/39/29/519943929.db2.gz KTHGUWVAIZQZHI-QGZVFWFLSA-N 1 2 351.454 2.706 20 30 FFEDLO C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)[C@@H]1CCC[C@@H]1C#N ZINC000602976361 520003621 /nfs/dbraw/zinc/00/36/21/520003621.db2.gz OMRWAYMWCCNMJV-KZNAEPCWSA-N 1 2 369.465 2.745 20 30 FFEDLO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)[C@@H]1CCC[C@@H]1C#N ZINC000602976361 520003628 /nfs/dbraw/zinc/00/36/28/520003628.db2.gz OMRWAYMWCCNMJV-KZNAEPCWSA-N 1 2 369.465 2.745 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602980186 520004332 /nfs/dbraw/zinc/00/43/32/520004332.db2.gz MTJVITNDPNKPEC-FXAWDEMLSA-N 1 2 365.481 2.729 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602980186 520004342 /nfs/dbraw/zinc/00/43/42/520004342.db2.gz MTJVITNDPNKPEC-FXAWDEMLSA-N 1 2 365.481 2.729 20 30 FFEDLO C[N@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602980503 520005539 /nfs/dbraw/zinc/00/55/39/520005539.db2.gz QSUTUKBMQOUYME-QUCCMNQESA-N 1 2 355.482 2.818 20 30 FFEDLO C[N@@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602980503 520005545 /nfs/dbraw/zinc/00/55/45/520005545.db2.gz QSUTUKBMQOUYME-QUCCMNQESA-N 1 2 355.482 2.818 20 30 FFEDLO N#CC[C@]1(O)CCN(c2cc[nH+]c3cc(F)c(Br)cc32)C1 ZINC000591976088 520116058 /nfs/dbraw/zinc/11/60/58/520116058.db2.gz VWHVGQRISKSWRI-HNNXBMFYSA-N 1 2 350.191 2.991 20 30 FFEDLO CCn1ccc(C[N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1 ZINC000616786231 520138991 /nfs/dbraw/zinc/13/89/91/520138991.db2.gz PPOSMIGPZNWMDT-UHFFFAOYSA-N 1 2 362.437 2.636 20 30 FFEDLO CCn1ccc(C[N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1 ZINC000616786231 520138992 /nfs/dbraw/zinc/13/89/92/520138992.db2.gz PPOSMIGPZNWMDT-UHFFFAOYSA-N 1 2 362.437 2.636 20 30 FFEDLO CC#CC[NH2+]Cc1cn(Cc2c(C(=O)OC)sc3cccc(F)c32)nn1 ZINC000603198541 520152135 /nfs/dbraw/zinc/15/21/35/520152135.db2.gz VBPJAFHMNOIKRF-UHFFFAOYSA-N 1 2 372.425 2.580 20 30 FFEDLO N#Cc1ccc(NCC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000608877952 520152387 /nfs/dbraw/zinc/15/23/87/520152387.db2.gz DLWJAEMEZZCYME-UHFFFAOYSA-N 1 2 361.405 2.884 20 30 FFEDLO N#Cc1cc(C[N@H+](CCO)Cc2ccc(Br)s2)ccn1 ZINC000616882855 520206909 /nfs/dbraw/zinc/20/69/09/520206909.db2.gz UNWWHMOCFMFSNI-UHFFFAOYSA-N 1 2 352.257 2.772 20 30 FFEDLO N#Cc1cc(C[N@@H+](CCO)Cc2ccc(Br)s2)ccn1 ZINC000616882855 520206914 /nfs/dbraw/zinc/20/69/14/520206914.db2.gz UNWWHMOCFMFSNI-UHFFFAOYSA-N 1 2 352.257 2.772 20 30 FFEDLO N#CC1(CC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)CCCCC1 ZINC000597755243 520211440 /nfs/dbraw/zinc/21/14/40/520211440.db2.gz OTEUBPRCRORYGV-UHFFFAOYSA-N 1 2 359.470 2.805 20 30 FFEDLO C[C@@H](NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000592144855 520220782 /nfs/dbraw/zinc/22/07/82/520220782.db2.gz JSXKRMNPEHFVPT-BZNIZROVSA-N 1 2 356.253 2.521 20 30 FFEDLO C[C@@H](NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000592144855 520220788 /nfs/dbraw/zinc/22/07/88/520220788.db2.gz JSXKRMNPEHFVPT-BZNIZROVSA-N 1 2 356.253 2.521 20 30 FFEDLO COc1ccc(-c2nc(C[N@@H+]3CC[C@](O)(CC#N)C3)cs2)cc1OC ZINC000592145886 520223878 /nfs/dbraw/zinc/22/38/78/520223878.db2.gz APIMPGUHOHORIW-GOSISDBHSA-N 1 2 359.451 2.678 20 30 FFEDLO COc1ccc(-c2nc(C[N@H+]3CC[C@](O)(CC#N)C3)cs2)cc1OC ZINC000592145886 520223883 /nfs/dbraw/zinc/22/38/83/520223883.db2.gz APIMPGUHOHORIW-GOSISDBHSA-N 1 2 359.451 2.678 20 30 FFEDLO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592148185 520224204 /nfs/dbraw/zinc/22/42/04/520224204.db2.gz WLZYJJYSKLIIJN-CTNGQTDRSA-N 1 2 365.433 2.725 20 30 FFEDLO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592148185 520224213 /nfs/dbraw/zinc/22/42/13/520224213.db2.gz WLZYJJYSKLIIJN-CTNGQTDRSA-N 1 2 365.433 2.725 20 30 FFEDLO Cc1cc(NCCNC(=O)CSc2ccc(C#N)cc2)nc(C(C)C)[nH+]1 ZINC000600365411 520226333 /nfs/dbraw/zinc/22/63/33/520226333.db2.gz JRDHOFQSIIWXDA-UHFFFAOYSA-N 1 2 369.494 2.522 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000592149501 520227400 /nfs/dbraw/zinc/22/74/00/520227400.db2.gz QCZASZJBATUYRT-SFTDATJTSA-N 1 2 355.482 2.775 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000592149501 520227407 /nfs/dbraw/zinc/22/74/07/520227407.db2.gz QCZASZJBATUYRT-SFTDATJTSA-N 1 2 355.482 2.775 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000592149907 520230242 /nfs/dbraw/zinc/23/02/42/520230242.db2.gz ZLHPPAGBDKRHEV-FQEVSTJZSA-N 1 2 351.406 2.768 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000592149907 520230248 /nfs/dbraw/zinc/23/02/48/520230248.db2.gz ZLHPPAGBDKRHEV-FQEVSTJZSA-N 1 2 351.406 2.768 20 30 FFEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C)cc1 ZINC000600420168 520249144 /nfs/dbraw/zinc/24/91/44/520249144.db2.gz JSKZZVLRHMYISH-GOSISDBHSA-N 1 2 365.433 2.719 20 30 FFEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C)cc1 ZINC000600420168 520249154 /nfs/dbraw/zinc/24/91/54/520249154.db2.gz JSKZZVLRHMYISH-GOSISDBHSA-N 1 2 365.433 2.719 20 30 FFEDLO Cc1sc(NC(=O)C[NH2+][C@H](C)c2nnc3n2CCCCC3)c(C#N)c1C ZINC000613062749 520297873 /nfs/dbraw/zinc/29/78/73/520297873.db2.gz ZNVUUOKGRBZZFA-GFCCVEGCSA-N 1 2 372.498 2.844 20 30 FFEDLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609538538 520347456 /nfs/dbraw/zinc/34/74/56/520347456.db2.gz LOKCCQNPDPKWQK-MOPGFXCFSA-N 1 2 358.486 2.578 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000609538819 520349922 /nfs/dbraw/zinc/34/99/22/520349922.db2.gz YJFDDTJTDYJMPM-HLIPFELVSA-N 1 2 354.498 2.518 20 30 FFEDLO N#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000609600629 520373955 /nfs/dbraw/zinc/37/39/55/520373955.db2.gz PLRYLMYEYKRCHF-HNNXBMFYSA-N 1 2 365.324 2.914 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cnn(CC)c2)cc1 ZINC000609614144 520378846 /nfs/dbraw/zinc/37/88/46/520378846.db2.gz PINFHRIRMHUSET-UHFFFAOYSA-N 1 2 369.469 2.680 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cnn(CC)c2)cc1 ZINC000609614144 520378852 /nfs/dbraw/zinc/37/88/52/520378852.db2.gz PINFHRIRMHUSET-UHFFFAOYSA-N 1 2 369.469 2.680 20 30 FFEDLO CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000595333041 520412360 /nfs/dbraw/zinc/41/23/60/520412360.db2.gz IUBVMXJBXZOEOX-PMACEKPBSA-N 1 2 369.490 2.866 20 30 FFEDLO CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000595333041 520412368 /nfs/dbraw/zinc/41/23/68/520412368.db2.gz IUBVMXJBXZOEOX-PMACEKPBSA-N 1 2 369.490 2.866 20 30 FFEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3ncc[nH]3)sc2C1 ZINC000595398764 520447321 /nfs/dbraw/zinc/44/73/21/520447321.db2.gz AURSJCGWOQGYDT-GFCCVEGCSA-N 1 2 357.483 2.928 20 30 FFEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3ncc[nH]3)sc2C1 ZINC000595398764 520447329 /nfs/dbraw/zinc/44/73/29/520447329.db2.gz AURSJCGWOQGYDT-GFCCVEGCSA-N 1 2 357.483 2.928 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1C#N ZINC000598222060 520503640 /nfs/dbraw/zinc/50/36/40/520503640.db2.gz ZOIBAUKIZYIFBS-ZDUSSCGKSA-N 1 2 360.483 2.518 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc1C#N ZINC000598222060 520503647 /nfs/dbraw/zinc/50/36/47/520503647.db2.gz ZOIBAUKIZYIFBS-ZDUSSCGKSA-N 1 2 360.483 2.518 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCn3c[nH+]cc3C2)c1 ZINC000595489380 520504360 /nfs/dbraw/zinc/50/43/60/520504360.db2.gz IIOYYKORQRNJAH-QGZVFWFLSA-N 1 2 351.454 2.651 20 30 FFEDLO N#CCn1c(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)cc2ccccc21 ZINC000610011167 520505404 /nfs/dbraw/zinc/50/54/04/520505404.db2.gz ROGBVRASJRJRDS-UHFFFAOYSA-N 1 2 374.444 2.828 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](c3ccccn3)C2)c1 ZINC000595500727 520509609 /nfs/dbraw/zinc/50/96/09/520509609.db2.gz KYAFHTGVRSAMDX-KRWDZBQOSA-N 1 2 355.463 2.607 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H](c3ccccn3)C2)c1 ZINC000595500727 520509613 /nfs/dbraw/zinc/50/96/13/520509613.db2.gz KYAFHTGVRSAMDX-KRWDZBQOSA-N 1 2 355.463 2.607 20 30 FFEDLO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](CC#N)C1)c1c(F)cccc1F ZINC000595551675 520546620 /nfs/dbraw/zinc/54/66/20/520546620.db2.gz XXEZIUGOPICDTH-BBRMVZONSA-N 1 2 350.413 2.903 20 30 FFEDLO CC(C)(C)OC(=O)C(C)(C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000592747234 520554955 /nfs/dbraw/zinc/55/49/55/520554955.db2.gz QRZSDWJABRTVGR-UHFFFAOYSA-N 1 2 371.481 2.570 20 30 FFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000610200199 520576301 /nfs/dbraw/zinc/57/63/01/520576301.db2.gz NMYZRYOYZUFGRS-GOSISDBHSA-N 1 2 351.454 2.696 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@](C)(C3CC3)C2)cc1 ZINC000595617694 520596630 /nfs/dbraw/zinc/59/66/30/520596630.db2.gz IRBVSBJHUGQWGQ-NRFANRHFSA-N 1 2 371.481 2.833 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@](C)(C3CC3)C2)cc1 ZINC000595617694 520596636 /nfs/dbraw/zinc/59/66/36/520596636.db2.gz IRBVSBJHUGQWGQ-NRFANRHFSA-N 1 2 371.481 2.833 20 30 FFEDLO C[C@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595629958 520607908 /nfs/dbraw/zinc/60/79/08/520607908.db2.gz BCDVZASBIPXNGL-JKSUJKDBSA-N 1 2 360.527 2.779 20 30 FFEDLO C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633070 520609384 /nfs/dbraw/zinc/60/93/84/520609384.db2.gz KVZGXDCUJKGCMT-OAHLLOKOSA-N 1 2 366.490 2.720 20 30 FFEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC000613869123 520710374 /nfs/dbraw/zinc/71/03/74/520710374.db2.gz UGXKXCZDZDHMRO-CYBMUJFWSA-N 1 2 350.451 2.841 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000595845181 520761281 /nfs/dbraw/zinc/76/12/81/520761281.db2.gz LBQOEEVUSZCOQP-MRXNPFEDSA-N 1 2 365.433 2.922 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCOc2ccc(O)cc2C1 ZINC000595845181 520761288 /nfs/dbraw/zinc/76/12/88/520761288.db2.gz LBQOEEVUSZCOQP-MRXNPFEDSA-N 1 2 365.433 2.922 20 30 FFEDLO C[C@@]1(C#N)CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000595844794 520762003 /nfs/dbraw/zinc/76/20/03/520762003.db2.gz VTNYZWSHEBMKFN-HIFRSBDPSA-N 1 2 357.223 2.563 20 30 FFEDLO C[C@@]1(C#N)CC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000595844794 520762011 /nfs/dbraw/zinc/76/20/11/520762011.db2.gz VTNYZWSHEBMKFN-HIFRSBDPSA-N 1 2 357.223 2.563 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CSc1ccc2c3c(cccc31)CC2 ZINC000593155783 520785618 /nfs/dbraw/zinc/78/56/18/520785618.db2.gz ZAVWRVVBNNNHSC-FQEVSTJZSA-N 1 2 353.491 2.991 20 30 FFEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@H](CC(F)(F)F)O1 ZINC000595891271 520798320 /nfs/dbraw/zinc/79/83/20/520798320.db2.gz PJRHWHQOKPKADA-PWSUYJOCSA-N 1 2 361.389 2.990 20 30 FFEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@H](CC(F)(F)F)O1 ZINC000595891271 520798324 /nfs/dbraw/zinc/79/83/24/520798324.db2.gz PJRHWHQOKPKADA-PWSUYJOCSA-N 1 2 361.389 2.990 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC3CC2(c2ccccc2)C3)cc1 ZINC000595910009 520814603 /nfs/dbraw/zinc/81/46/03/520814603.db2.gz FXKUPXVQAFIZPG-UHFFFAOYSA-N 1 2 352.459 2.953 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC3CC2(c2ccccc2)C3)cc1 ZINC000595910009 520814610 /nfs/dbraw/zinc/81/46/10/520814610.db2.gz FXKUPXVQAFIZPG-UHFFFAOYSA-N 1 2 352.459 2.953 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2ccccc2n1Cc1ccncc1 ZINC000598836544 520869048 /nfs/dbraw/zinc/86/90/48/520869048.db2.gz MBZGLEIAKKUMHH-NRFANRHFSA-N 1 2 361.449 2.658 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)NCC3(C#N)CCCC3)c[nH+]2)C[C@H](C)O1 ZINC000593301939 520895172 /nfs/dbraw/zinc/89/51/72/520895172.db2.gz AJTURPITDHQQAD-IYBDPMFKSA-N 1 2 371.485 2.578 20 30 FFEDLO N#Cc1nc(C2CC2)oc1N1CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000596079194 520899628 /nfs/dbraw/zinc/89/96/28/520899628.db2.gz KXAADSVGRXDYFY-UHFFFAOYSA-N 1 2 360.421 2.881 20 30 FFEDLO Cc1ccc(C#N)nc1N1CC[NH+]([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000596081293 520901683 /nfs/dbraw/zinc/90/16/83/520901683.db2.gz UHJRIBKYOPJMFW-HNNXBMFYSA-N 1 2 367.428 2.550 20 30 FFEDLO COc1ccc(C[NH+]2CCN(C(=O)c3ccccc3OC)CC2)cc1C#N ZINC000610991228 520932823 /nfs/dbraw/zinc/93/28/23/520932823.db2.gz FPYZZBAOYQSCCF-UHFFFAOYSA-N 1 2 365.433 2.533 20 30 FFEDLO N#CCc1cccc2c1CCN(C(=O)NCCc1cn3ccccc3[nH+]1)C2 ZINC000598962787 520945233 /nfs/dbraw/zinc/94/52/33/520945233.db2.gz LESIZSKDBBKYCG-UHFFFAOYSA-N 1 2 359.433 2.711 20 30 FFEDLO N#Cc1cc(Br)cnc1NCc1ccc[nH+]c1N1CCCC1 ZINC000596355180 521038663 /nfs/dbraw/zinc/03/86/63/521038663.db2.gz AVWKSWXCYLCNBN-UHFFFAOYSA-N 1 2 358.243 2.745 20 30 FFEDLO N#CCCN(Cc1cccnc1)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602084798 521135075 /nfs/dbraw/zinc/13/50/75/521135075.db2.gz KYGZJKYMGKNJSK-CQSZACIVSA-N 1 2 351.332 2.714 20 30 FFEDLO CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccoc1 ZINC000611429466 521151596 /nfs/dbraw/zinc/15/15/96/521151596.db2.gz WNKJVLYNIYBLRI-KRWDZBQOSA-N 1 2 372.494 2.572 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccoc1 ZINC000611429466 521151604 /nfs/dbraw/zinc/15/16/04/521151604.db2.gz WNKJVLYNIYBLRI-KRWDZBQOSA-N 1 2 372.494 2.572 20 30 FFEDLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H](CCCC#N)c2ccccc2)[C@@H](C)CO1 ZINC000596606581 521164731 /nfs/dbraw/zinc/16/47/31/521164731.db2.gz RGARHNBEVAVRMG-SCTDSRPQSA-N 1 2 358.486 2.830 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](CCCC#N)c2ccccc2)[C@@H](C)CO1 ZINC000596606581 521164736 /nfs/dbraw/zinc/16/47/36/521164736.db2.gz RGARHNBEVAVRMG-SCTDSRPQSA-N 1 2 358.486 2.830 20 30 FFEDLO C[N@@H+](Cc1nc(-c2cccs2)no1)C[C@@H](O)COc1ccccc1C#N ZINC000599413518 521206394 /nfs/dbraw/zinc/20/63/94/521206394.db2.gz YQYMUYRVRNXXIH-CQSZACIVSA-N 1 2 370.434 2.541 20 30 FFEDLO C[N@H+](Cc1nc(-c2cccs2)no1)C[C@@H](O)COc1ccccc1C#N ZINC000599413518 521206403 /nfs/dbraw/zinc/20/64/03/521206403.db2.gz YQYMUYRVRNXXIH-CQSZACIVSA-N 1 2 370.434 2.541 20 30 FFEDLO COCc1ccccc1CNC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679611 521394974 /nfs/dbraw/zinc/39/49/74/521394974.db2.gz VSKVNMZAHZEXCU-UHFFFAOYSA-N 1 2 363.461 2.574 20 30 FFEDLO COCc1ccccc1CNC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679611 521394984 /nfs/dbraw/zinc/39/49/84/521394984.db2.gz VSKVNMZAHZEXCU-UHFFFAOYSA-N 1 2 363.461 2.574 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@](F)(C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000615547382 521440071 /nfs/dbraw/zinc/44/00/71/521440071.db2.gz JEYRLKPXKULPNF-ZMSDIMECSA-N 1 2 368.815 2.871 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)N2CC[C@@](F)(C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000615547382 521440081 /nfs/dbraw/zinc/44/00/81/521440081.db2.gz JEYRLKPXKULPNF-ZMSDIMECSA-N 1 2 368.815 2.871 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3cccc(OC4CC4)c3F)CC2)n1 ZINC000597085013 521490399 /nfs/dbraw/zinc/49/03/99/521490399.db2.gz ABZVCPSAHHOLPM-UHFFFAOYSA-N 1 2 352.413 2.956 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000615682308 521500267 /nfs/dbraw/zinc/50/02/67/521500267.db2.gz WPFUAPBPFJUFHU-GXTWGEPZSA-N 1 2 359.227 2.589 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3c(C4CCC4)cnn3C)CC2)c1C#N ZINC000597132593 521528571 /nfs/dbraw/zinc/52/85/71/521528571.db2.gz JVXHNMGJMIJQNG-UHFFFAOYSA-N 1 2 356.499 2.646 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc(OC)c1O ZINC000597184364 521562814 /nfs/dbraw/zinc/56/28/14/521562814.db2.gz SVFLQCOIYWPMIF-UHFFFAOYSA-N 1 2 359.451 2.665 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](C#N)c1ccccc1Br ZINC000597229050 521585977 /nfs/dbraw/zinc/58/59/77/521585977.db2.gz GLGISUOWKQBOAY-BZPMIXESSA-N 1 2 359.227 2.667 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1Br ZINC000597228710 521586165 /nfs/dbraw/zinc/58/61/65/521586165.db2.gz FWNZLGOBCGXZJO-NHYWBVRUSA-N 1 2 359.227 2.589 20 30 FFEDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000597261347 521600700 /nfs/dbraw/zinc/60/07/00/521600700.db2.gz DSXNCVJEFZSVRZ-UHFFFAOYSA-N 1 2 369.490 2.944 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000619511123 521603127 /nfs/dbraw/zinc/60/31/27/521603127.db2.gz LAYNZBJIYONUBH-GOSISDBHSA-N 1 2 358.877 2.586 20 30 FFEDLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000616132734 521627972 /nfs/dbraw/zinc/62/79/72/521627972.db2.gz SYXKOAAARLLPTA-MRXNPFEDSA-N 1 2 366.440 2.524 20 30 FFEDLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000616132734 521627975 /nfs/dbraw/zinc/62/79/75/521627975.db2.gz SYXKOAAARLLPTA-MRXNPFEDSA-N 1 2 366.440 2.524 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)NCC2(C#N)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000619531007 521755988 /nfs/dbraw/zinc/75/59/88/521755988.db2.gz WVWOUZSGRGPBQJ-HOCLYGCPSA-N 1 2 366.387 2.842 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)NCC2(C#N)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000619531007 521755994 /nfs/dbraw/zinc/75/59/94/521755994.db2.gz WVWOUZSGRGPBQJ-HOCLYGCPSA-N 1 2 366.387 2.842 20 30 FFEDLO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647588 521811099 /nfs/dbraw/zinc/81/10/99/521811099.db2.gz XQHLUFRMQYAZDW-YLJYHZDGSA-N 1 2 372.488 2.655 20 30 FFEDLO C=C[C@@H]([NH2+][C@H](C)CCc1ccc(I)cc1)C(=O)OC ZINC000619704345 521831553 /nfs/dbraw/zinc/83/15/53/521831553.db2.gz FSPSNQKSAAKHNN-BXUZGUMPSA-N 1 2 373.234 2.930 20 30 FFEDLO N#Cc1ccc(NCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000619729357 521840950 /nfs/dbraw/zinc/84/09/50/521840950.db2.gz SBLFURSWSQCHPR-KRWDZBQOSA-N 1 2 363.465 2.909 20 30 FFEDLO NC(=O)c1cc(F)ccc1N1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000621381959 522811759 /nfs/dbraw/zinc/81/17/59/522811759.db2.gz DRYJYQJOHIUWQR-UHFFFAOYSA-N 1 2 371.843 2.752 20 30 FFEDLO Cc1csc(C2([NH2+]CC#CCN3C(=O)c4ccccc4C3=O)CCC2)n1 ZINC000625322703 523349892 /nfs/dbraw/zinc/34/98/92/523349892.db2.gz KYPIFNUJRRLTSS-UHFFFAOYSA-N 1 2 365.458 2.720 20 30 FFEDLO C=C(C)COc1cc(C[NH2+]Cc2nnnn2-c2ccccc2)ccc1OC ZINC000622267193 523361514 /nfs/dbraw/zinc/36/15/14/523361514.db2.gz HVJSXDNEGGIAOP-UHFFFAOYSA-N 1 2 365.437 2.916 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1OC ZINC000628291993 523467589 /nfs/dbraw/zinc/46/75/89/523467589.db2.gz GNBJKUAAQPOHHN-ZDUSSCGKSA-N 1 2 373.902 2.780 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1OC ZINC000628291993 523467598 /nfs/dbraw/zinc/46/75/98/523467598.db2.gz GNBJKUAAQPOHHN-ZDUSSCGKSA-N 1 2 373.902 2.780 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cccc(C(F)F)c2F)c1C#N ZINC000530262150 562404461 /nfs/dbraw/zinc/40/44/61/562404461.db2.gz WYNLVQAPYUPFEP-UHFFFAOYSA-N 1 2 351.332 2.762 20 30 FFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000669188731 568386337 /nfs/dbraw/zinc/38/63/37/568386337.db2.gz FBGHDZQTLAIAPL-MNEFBYGVSA-N 1 2 355.482 2.540 20 30 FFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000669188731 568386338 /nfs/dbraw/zinc/38/63/38/568386338.db2.gz FBGHDZQTLAIAPL-MNEFBYGVSA-N 1 2 355.482 2.540 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H]3CNC(=O)[O-])CC2)cc1 ZINC000833971271 606008150 /nfs/dbraw/zinc/00/81/50/606008150.db2.gz CPTZIRCCLUZYLX-HKUYNNGSSA-N 1 2 356.470 2.549 20 30 FFEDLO NC(=[NH+]OCCCOc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1 ZINC000822846377 606837925 /nfs/dbraw/zinc/83/79/25/606837925.db2.gz YZBFCBIGHVDUQP-UHFFFAOYSA-N 1 2 372.816 2.626 20 30 FFEDLO COc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(F)cc2)cc1Cl ZINC000029464310 727895581 /nfs/dbraw/zinc/89/55/81/727895581.db2.gz KERDHNNFTSTLQD-UHFFFAOYSA-N 1 2 351.765 2.763 20 30 FFEDLO C=CCn1c(C)nn(C[N@@H+]2C[C@H](C(=O)NCCCC)CC[C@@H]2C)c1=S ZINC000068964494 728194427 /nfs/dbraw/zinc/19/44/27/728194427.db2.gz XSRDESDODVJEFP-GOEBONIOSA-N 1 2 365.547 2.883 20 30 FFEDLO C=CCn1c(C)nn(C[N@H+]2C[C@H](C(=O)NCCCC)CC[C@@H]2C)c1=S ZINC000068964494 728194428 /nfs/dbraw/zinc/19/44/28/728194428.db2.gz XSRDESDODVJEFP-GOEBONIOSA-N 1 2 365.547 2.883 20 30 FFEDLO C#CC[NH+]1CCN(Cn2ccc(-c3ccc(Br)cc3)n2)CC1 ZINC000151744898 728746682 /nfs/dbraw/zinc/74/66/82/728746682.db2.gz GMNZTTJZCPHMQA-UHFFFAOYSA-N 1 2 359.271 2.521 20 30 FFEDLO NC(Cc1ccccc1)=[NH+]OCc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000177558151 729138790 /nfs/dbraw/zinc/13/87/90/729138790.db2.gz UXRICRBTCQNZFV-UHFFFAOYSA-N 1 2 354.378 2.714 20 30 FFEDLO CO[C@H]1C[C@@H](C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)[N@H+](C)C1 ZINC000329143616 729796404 /nfs/dbraw/zinc/79/64/04/729796404.db2.gz VRFBUOXWPCVKIF-DZKIICNBSA-N 1 2 352.406 2.691 20 30 FFEDLO CO[C@H]1C[C@@H](C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)[N@@H+](C)C1 ZINC000329143616 729796405 /nfs/dbraw/zinc/79/64/05/729796405.db2.gz VRFBUOXWPCVKIF-DZKIICNBSA-N 1 2 352.406 2.691 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ncc[nH]1)CCC2 ZINC000334031853 729813459 /nfs/dbraw/zinc/81/34/59/729813459.db2.gz LVIUNYUAVOCIDH-CQSZACIVSA-N 1 2 355.467 2.997 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ncc[nH]1)CCC2 ZINC000334031853 729813464 /nfs/dbraw/zinc/81/34/64/729813464.db2.gz LVIUNYUAVOCIDH-CQSZACIVSA-N 1 2 355.467 2.997 20 30 FFEDLO Cc1nsc(N2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC2)c1C#N ZINC000908284745 736752856 /nfs/dbraw/zinc/75/28/56/736752856.db2.gz KIABNAXOXDDCKP-UHFFFAOYSA-N 1 2 355.467 2.606 20 30 FFEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)nc1 ZINC000861730169 730637153 /nfs/dbraw/zinc/63/71/53/730637153.db2.gz MWQGFSMVUDVHOG-SFHVURJKSA-N 1 2 354.841 2.887 20 30 FFEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)nc1 ZINC000861730169 730637155 /nfs/dbraw/zinc/63/71/55/730637155.db2.gz MWQGFSMVUDVHOG-SFHVURJKSA-N 1 2 354.841 2.887 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000862739136 730722586 /nfs/dbraw/zinc/72/25/86/730722586.db2.gz GTEWEGTXPIFDHF-HNNXBMFYSA-N 1 2 359.267 2.925 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000862739136 730722589 /nfs/dbraw/zinc/72/25/89/730722589.db2.gz GTEWEGTXPIFDHF-HNNXBMFYSA-N 1 2 359.267 2.925 20 30 FFEDLO C#CCNC(=O)C1CC[NH+](Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC000876633625 732263893 /nfs/dbraw/zinc/26/38/93/732263893.db2.gz DMFBHLYOVDOZEP-UHFFFAOYSA-N 1 2 358.335 2.686 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876653566 732265900 /nfs/dbraw/zinc/26/59/00/732265900.db2.gz ONCZVZBHHDDDGK-GFCCVEGCSA-N 1 2 350.850 2.953 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876653566 732265903 /nfs/dbraw/zinc/26/59/03/732265903.db2.gz ONCZVZBHHDDDGK-GFCCVEGCSA-N 1 2 350.850 2.953 20 30 FFEDLO C[C@H](c1nccs1)N1CC[NH+](Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000877381038 732355460 /nfs/dbraw/zinc/35/54/60/732355460.db2.gz YSGVSCSSUDFPOP-OAHLLOKOSA-N 1 2 355.511 2.960 20 30 FFEDLO C[C@@]1(c2ccc(Cl)s2)NC(=O)N(C[NH+]2CCC(CC#N)CC2)C1=O ZINC000781571721 738637905 /nfs/dbraw/zinc/63/79/05/738637905.db2.gz ISHHWVROBPKNFL-INIZCTEOSA-N 1 2 366.874 2.752 20 30 FFEDLO C=CC[C@H](C(=O)OC)[NH+]1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000879613556 732733526 /nfs/dbraw/zinc/73/35/26/732733526.db2.gz MNPYSQWIFZOWFG-CQSZACIVSA-N 1 2 366.527 2.928 20 30 FFEDLO C#CCC1(O)CC[NH+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000880481044 732913516 /nfs/dbraw/zinc/91/35/16/732913516.db2.gz LVWUKOLPFGOWNV-UHFFFAOYSA-N 1 2 365.264 2.924 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccccc1SCC(F)(F)F ZINC000884065249 733475089 /nfs/dbraw/zinc/47/50/89/733475089.db2.gz IXROKTQJEYHJDI-JTQLQIEISA-N 1 2 362.373 2.726 20 30 FFEDLO N#Cc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(Br)cc2)cc1 ZINC000782947922 738767044 /nfs/dbraw/zinc/76/70/44/738767044.db2.gz GHBSBMIATCPDKA-UHFFFAOYSA-N 1 2 373.210 2.596 20 30 FFEDLO Cc1c(C(=O)/C=C/c2[nH]cc[nH+]2)nnn1-c1cccc(Br)c1 ZINC000731159164 734668543 /nfs/dbraw/zinc/66/85/43/734668543.db2.gz OVXLBDWMGZGTBC-AATRIKPKSA-N 1 2 358.199 2.957 20 30 FFEDLO C#CC1(O)CC[NH+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000895384431 734998607 /nfs/dbraw/zinc/99/86/07/734998607.db2.gz NUGPQCUAOZBMRN-UHFFFAOYSA-N 1 2 351.237 2.534 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000739903280 735061793 /nfs/dbraw/zinc/06/17/93/735061793.db2.gz KEEQUEIVKLPVJQ-GOSISDBHSA-N 1 2 355.463 2.652 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@H]2CCOc3ccc(Br)cc32)nn1 ZINC000899738731 735548396 /nfs/dbraw/zinc/54/83/96/735548396.db2.gz BNRZIKLHCJZDJH-HNNXBMFYSA-N 1 2 361.243 2.525 20 30 FFEDLO C=CCC(CC=C)C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000759009053 736540588 /nfs/dbraw/zinc/54/05/88/736540588.db2.gz SBQDCLHDICQLDY-UHFFFAOYSA-N 1 2 362.495 2.704 20 30 FFEDLO C=C(C)[C@@H](NC(=O)/C=C(\C)C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000907461032 736631700 /nfs/dbraw/zinc/63/17/00/736631700.db2.gz LDFAOWKIUPQMOP-NRJHKNTJSA-N 1 2 350.409 2.977 20 30 FFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000765843436 737165804 /nfs/dbraw/zinc/16/58/04/737165804.db2.gz TWOMKGMKTGDHGE-KDOFPFPSSA-N 1 2 355.463 2.559 20 30 FFEDLO S=C(NCCc1cccs1)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000915959811 737667428 /nfs/dbraw/zinc/66/74/28/737667428.db2.gz KFBLJGZVHXESQW-UHFFFAOYSA-N 1 2 359.524 2.806 20 30 FFEDLO O=C(C=CNc1ccccc1C(=O)OCCn1cc[nH+]c1)C(F)(F)F ZINC000771869801 737762993 /nfs/dbraw/zinc/76/29/93/737762993.db2.gz ZVFINKHVIOXRMB-WAYWQWQTSA-N 1 2 353.300 2.797 20 30 FFEDLO C[NH+](C)Cc1csc(CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)n1 ZINC000922241376 738111041 /nfs/dbraw/zinc/11/10/41/738111041.db2.gz HZLBJPBRNDDPRU-MRXNPFEDSA-N 1 2 355.467 2.563 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](C[C@@H](O)c3ccc(F)cc3Cl)CC2)n1 ZINC000775669770 738111263 /nfs/dbraw/zinc/11/12/63/738111263.db2.gz AAVLCZPBRUKZOY-QGZVFWFLSA-N 1 2 360.820 2.601 20 30 FFEDLO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ncc(Br)cn1 ZINC000931870540 739344978 /nfs/dbraw/zinc/34/49/78/739344978.db2.gz LBGZWUIKRGGIIY-UHFFFAOYSA-N 1 2 374.242 2.571 20 30 FFEDLO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ncc(Br)cn1 ZINC000931870540 739344982 /nfs/dbraw/zinc/34/49/82/739344982.db2.gz LBGZWUIKRGGIIY-UHFFFAOYSA-N 1 2 374.242 2.571 20 30 FFEDLO COc1cc(C=NOCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1OC(F)F ZINC000789738733 739383998 /nfs/dbraw/zinc/38/39/98/739383998.db2.gz JYQAREGBRMUVLF-OKILXGFUSA-N 1 2 356.369 2.510 20 30 FFEDLO COc1cc(C=NOCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1OC(F)F ZINC000789738733 739384004 /nfs/dbraw/zinc/38/40/04/739384004.db2.gz JYQAREGBRMUVLF-OKILXGFUSA-N 1 2 356.369 2.510 20 30 FFEDLO N#CC[C@H](NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C(F)(F)F ZINC000932905338 739534385 /nfs/dbraw/zinc/53/43/85/739534385.db2.gz SSHHQICIERWIFH-AVGNSLFASA-N 1 2 355.364 2.948 20 30 FFEDLO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794632528 739913064 /nfs/dbraw/zinc/91/30/64/739913064.db2.gz QLPJWDICZBFZFN-HNNXBMFYSA-N 1 2 356.499 2.705 20 30 FFEDLO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794632528 739913067 /nfs/dbraw/zinc/91/30/67/739913067.db2.gz QLPJWDICZBFZFN-HNNXBMFYSA-N 1 2 356.499 2.705 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccncc2Cl)C1 ZINC000971555645 740787266 /nfs/dbraw/zinc/78/72/66/740787266.db2.gz IAKVMWYEAYVWPZ-NUJGCVRESA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccncc2Cl)C1 ZINC000971555645 740787268 /nfs/dbraw/zinc/78/72/68/740787268.db2.gz IAKVMWYEAYVWPZ-NUJGCVRESA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2csc(C3CC3)n2)C1 ZINC000972372597 740826847 /nfs/dbraw/zinc/82/68/47/740826847.db2.gz GBVPCBNUBRGLAA-BBWFWOEESA-N 1 2 361.511 2.644 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2csc(C3CC3)n2)C1 ZINC000972372597 740826855 /nfs/dbraw/zinc/82/68/55/740826855.db2.gz GBVPCBNUBRGLAA-BBWFWOEESA-N 1 2 361.511 2.644 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(CCC)n2)C1 ZINC000972375115 740827182 /nfs/dbraw/zinc/82/71/82/740827182.db2.gz ZRDYBKGETOOONS-ZACQAIPSSA-N 1 2 363.527 2.719 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2csc(CCC)n2)C1 ZINC000972375115 740827185 /nfs/dbraw/zinc/82/71/85/740827185.db2.gz ZRDYBKGETOOONS-ZACQAIPSSA-N 1 2 363.527 2.719 20 30 FFEDLO Cc1nc(C[NH+]2CCC(C(=O)OCC3(C#N)CCOCC3)CC2)cs1 ZINC000805913196 741022627 /nfs/dbraw/zinc/02/26/27/741022627.db2.gz VNEQTFJBSFKQNU-UHFFFAOYSA-N 1 2 363.483 2.527 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccnc(Cl)c2)CC1 ZINC000982174314 741199498 /nfs/dbraw/zinc/19/94/98/741199498.db2.gz ZYCDIJIAZOAOJN-WMZOPIPTSA-N 1 2 363.889 2.751 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccnc(Cl)c2)CC1 ZINC000982174314 741199501 /nfs/dbraw/zinc/19/95/01/741199501.db2.gz ZYCDIJIAZOAOJN-WMZOPIPTSA-N 1 2 363.889 2.751 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(CCC(C)(C)C#N)CC2)C1 ZINC000808770401 741258946 /nfs/dbraw/zinc/25/89/46/741258946.db2.gz JFDBWNIQXLMAOJ-MRXNPFEDSA-N 1 2 350.507 2.553 20 30 FFEDLO COc1cc(C[NH2+]Cc2nc(C#N)cs2)cc(Br)c1O ZINC000810142395 741392438 /nfs/dbraw/zinc/39/24/38/741392438.db2.gz YPRPHGVGNYJVNU-UHFFFAOYSA-N 1 2 354.229 2.781 20 30 FFEDLO C#C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000811963361 741579322 /nfs/dbraw/zinc/57/93/22/741579322.db2.gz LJVUZTHNTJGHIQ-JLSDUUJJSA-N 1 2 361.873 2.519 20 30 FFEDLO CN(C)C(=O)OC1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000815188339 741910199 /nfs/dbraw/zinc/91/01/99/741910199.db2.gz OEXDXENBYSPNOX-UHFFFAOYSA-N 1 2 366.259 2.983 20 30 FFEDLO C=C(CO)C(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC000817062478 742084909 /nfs/dbraw/zinc/08/49/09/742084909.db2.gz JVEGHQWOZLQNLF-SFHVURJKSA-N 1 2 350.890 2.947 20 30 FFEDLO C=C(CO)C(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC000817062478 742084912 /nfs/dbraw/zinc/08/49/12/742084912.db2.gz JVEGHQWOZLQNLF-SFHVURJKSA-N 1 2 350.890 2.947 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001008561583 742381256 /nfs/dbraw/zinc/38/12/56/742381256.db2.gz ZKRCXVMPVSPGPP-INMHGKMJSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC001008561583 742381262 /nfs/dbraw/zinc/38/12/62/742381262.db2.gz ZKRCXVMPVSPGPP-INMHGKMJSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2cscn2)C1 ZINC001027609017 742776440 /nfs/dbraw/zinc/77/64/40/742776440.db2.gz YQYMZHKVXOIUJA-SQNIBIBYSA-N 1 2 363.527 2.937 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cscn2)C1 ZINC001027609017 742776444 /nfs/dbraw/zinc/77/64/44/742776444.db2.gz YQYMZHKVXOIUJA-SQNIBIBYSA-N 1 2 363.527 2.937 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cncs1 ZINC001029508586 742812806 /nfs/dbraw/zinc/81/28/06/742812806.db2.gz KYMPHJAOTBBUQQ-MVJTYMMSSA-N 1 2 361.511 2.690 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cncs1 ZINC001029508586 742812812 /nfs/dbraw/zinc/81/28/12/742812812.db2.gz KYMPHJAOTBBUQQ-MVJTYMMSSA-N 1 2 361.511 2.690 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001046480900 743325767 /nfs/dbraw/zinc/32/57/67/743325767.db2.gz ZAIPTZWEXZGSTI-ZMSDIMECSA-N 1 2 371.319 2.538 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001046480900 743325775 /nfs/dbraw/zinc/32/57/75/743325775.db2.gz ZAIPTZWEXZGSTI-ZMSDIMECSA-N 1 2 371.319 2.538 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cscn1 ZINC001049487719 743466405 /nfs/dbraw/zinc/46/64/05/743466405.db2.gz VBLIZYQVCVSGDX-XDNAFOTISA-N 1 2 361.511 2.690 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cscn1 ZINC001049487719 743466410 /nfs/dbraw/zinc/46/64/10/743466410.db2.gz VBLIZYQVCVSGDX-XDNAFOTISA-N 1 2 361.511 2.690 20 30 FFEDLO C=CC[C@@H]1CCC[N@@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000826948490 743476335 /nfs/dbraw/zinc/47/63/35/743476335.db2.gz ZSGISJXVCFWJPQ-CABCVRRESA-N 1 2 371.934 2.993 20 30 FFEDLO C=CC[C@@H]1CCC[N@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000826948490 743476341 /nfs/dbraw/zinc/47/63/41/743476341.db2.gz ZSGISJXVCFWJPQ-CABCVRRESA-N 1 2 371.934 2.993 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](Cc3cscn3)C[C@H]21 ZINC001050049005 743493159 /nfs/dbraw/zinc/49/31/59/743493159.db2.gz DQJUFKKVBMIOKC-HPBDAGMYSA-N 1 2 361.511 2.547 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](Cc3cscn3)C[C@H]21 ZINC001050049005 743493164 /nfs/dbraw/zinc/49/31/64/743493164.db2.gz DQJUFKKVBMIOKC-HPBDAGMYSA-N 1 2 361.511 2.547 20 30 FFEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)CC1 ZINC001052042901 743572281 /nfs/dbraw/zinc/57/22/81/743572281.db2.gz JYCHABBCHDZDSF-GBESFXJTSA-N 1 2 359.539 2.646 20 30 FFEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000839618864 746873868 /nfs/dbraw/zinc/87/38/68/746873868.db2.gz KITUIXSKWSHGAA-XLIONFOSSA-N 1 2 354.475 2.678 20 30 FFEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000839618864 746873874 /nfs/dbraw/zinc/87/38/74/746873874.db2.gz KITUIXSKWSHGAA-XLIONFOSSA-N 1 2 354.475 2.678 20 30 FFEDLO C=CCN1CCN(C[N@@H+](C)Cc2ccc(OC)c(OC(F)F)c2)C1=O ZINC000839957830 746968326 /nfs/dbraw/zinc/96/83/26/746968326.db2.gz FLIFJIVBEVMJTJ-UHFFFAOYSA-N 1 2 355.385 2.610 20 30 FFEDLO C=CCN1CCN(C[N@H+](C)Cc2ccc(OC)c(OC(F)F)c2)C1=O ZINC000839957830 746968332 /nfs/dbraw/zinc/96/83/32/746968332.db2.gz FLIFJIVBEVMJTJ-UHFFFAOYSA-N 1 2 355.385 2.610 20 30 FFEDLO C[C@@H]1C[N@H+](CCNC(=S)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)CO1 ZINC000849283195 749086967 /nfs/dbraw/zinc/08/69/67/749086967.db2.gz ZBTASCFOWLEAJH-NWDGAFQWSA-N 1 2 352.891 2.607 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNC(=S)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)CO1 ZINC000849283195 749086972 /nfs/dbraw/zinc/08/69/72/749086972.db2.gz ZBTASCFOWLEAJH-NWDGAFQWSA-N 1 2 352.891 2.607 20 30 FFEDLO C#Cc1ccccc1CC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000854412342 750301797 /nfs/dbraw/zinc/30/17/97/750301797.db2.gz NIOZEBOLVBWYOG-UHFFFAOYSA-N 1 2 353.491 2.831 20 30 FFEDLO C=CC[C@H](C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1 ZINC000488362940 887187659 /nfs/dbraw/zinc/18/76/59/887187659.db2.gz DMWUINRVRFNUMP-SFHVURJKSA-N 1 2 354.454 2.514 20 30 FFEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000895959702 971109455 /nfs/dbraw/zinc/10/94/55/971109455.db2.gz CRYDGEXHIISBBE-UHFFFAOYSA-N 1 2 372.354 2.569 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C(F)C(F)(F)F)C[C@@H]3C2)c1 ZINC001087972989 971413746 /nfs/dbraw/zinc/41/37/46/971413746.db2.gz FDNIVJSVIUFYMY-PMPSAXMXSA-N 1 2 369.362 2.739 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)C(F)(F)F)C[C@@H]3C2)c1 ZINC001087972989 971413753 /nfs/dbraw/zinc/41/37/53/971413753.db2.gz FDNIVJSVIUFYMY-PMPSAXMXSA-N 1 2 369.362 2.739 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](F)C(F)(F)F)C[C@@H]3C2)c1 ZINC001087972989 971413758 /nfs/dbraw/zinc/41/37/58/971413758.db2.gz FDNIVJSVIUFYMY-PMPSAXMXSA-N 1 2 369.362 2.739 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](F)C(F)(F)F)C[C@@H]3C2)c1 ZINC001087972989 971413763 /nfs/dbraw/zinc/41/37/63/971413763.db2.gz FDNIVJSVIUFYMY-PMPSAXMXSA-N 1 2 369.362 2.739 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1c[nH]c3cccc(Cl)c13)C2 ZINC001275879969 1013128841 /nfs/dbraw/zinc/12/88/41/1013128841.db2.gz JMYUJDBAVHPKES-UHFFFAOYSA-N 1 2 359.857 2.811 20 30 FFEDLO N#CCOc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)cc1 ZINC001116021357 1032067664 /nfs/dbraw/zinc/06/76/64/1032067664.db2.gz FKRQCTCUVUKFHF-LJQANCHMSA-N 1 2 350.422 2.977 20 30 FFEDLO N#CCOc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)cc1 ZINC001116021357 1032067651 /nfs/dbraw/zinc/06/76/51/1032067651.db2.gz FKRQCTCUVUKFHF-LJQANCHMSA-N 1 2 350.422 2.977 20 30 FFEDLO C=CCOCCCNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000660634237 972382617 /nfs/dbraw/zinc/38/26/17/972382617.db2.gz NEJPYEJKGJQSHC-HNNXBMFYSA-N 1 2 367.440 2.821 20 30 FFEDLO C=CCOCCCNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000660634237 972382620 /nfs/dbraw/zinc/38/26/20/972382620.db2.gz NEJPYEJKGJQSHC-HNNXBMFYSA-N 1 2 367.440 2.821 20 30 FFEDLO N#Cc1cncc(Nc2cc(I)c3[nH+]ccn3c2)c1 ZINC001210084332 960635130 /nfs/dbraw/zinc/63/51/30/960635130.db2.gz ABRYAOFNMHAXAF-UHFFFAOYSA-N 1 2 361.146 2.949 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](CN3C[C@@H]4CCCCN4C3=O)CC2)c(F)c1 ZINC000872611515 1013237762 /nfs/dbraw/zinc/23/77/62/1013237762.db2.gz HVKUXDQGHVHMIF-INIZCTEOSA-N 1 2 372.444 2.788 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)cs1 ZINC001095915081 1013240013 /nfs/dbraw/zinc/24/00/13/1013240013.db2.gz UZIXXJVZYUEMBL-HFTRVMKXSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)cs1 ZINC001095915081 1013240026 /nfs/dbraw/zinc/24/00/26/1013240026.db2.gz UZIXXJVZYUEMBL-HFTRVMKXSA-N 1 2 370.453 2.998 20 30 FFEDLO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)cc(C#N)c1 ZINC001276005148 1013275835 /nfs/dbraw/zinc/27/58/35/1013275835.db2.gz MRRUDKYLSVFUIA-JLTOFOAXSA-N 1 2 357.429 2.632 20 30 FFEDLO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)cc(C#N)c1 ZINC001276005148 1013275841 /nfs/dbraw/zinc/27/58/41/1013275841.db2.gz MRRUDKYLSVFUIA-JLTOFOAXSA-N 1 2 357.429 2.632 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2c(F)cccc2F)C1 ZINC000970571597 961735168 /nfs/dbraw/zinc/73/51/68/961735168.db2.gz MWQXSMULDPSYRI-RFUYNDQBSA-N 1 2 364.436 2.883 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccnc1Br ZINC001276022505 1013290792 /nfs/dbraw/zinc/29/07/92/1013290792.db2.gz JSLWVHZCPQWUAM-QGZVFWFLSA-N 1 2 364.287 2.987 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccnc1Br ZINC001276022505 1013290798 /nfs/dbraw/zinc/29/07/98/1013290798.db2.gz JSLWVHZCPQWUAM-QGZVFWFLSA-N 1 2 364.287 2.987 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc(C3CCCCC3)n1)C2 ZINC001110175917 1013341893 /nfs/dbraw/zinc/34/18/93/1013341893.db2.gz CZYSAQHKAZJESB-AOIWGVFYSA-N 1 2 371.481 2.707 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc(C3CCCCC3)n1)C2 ZINC001110175917 1013341907 /nfs/dbraw/zinc/34/19/07/1013341907.db2.gz CZYSAQHKAZJESB-AOIWGVFYSA-N 1 2 371.481 2.707 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(F)(F)F)s1)C2 ZINC001110179095 1013374735 /nfs/dbraw/zinc/37/47/35/1013374735.db2.gz USRGDSXXNPROGD-AGIUHOORSA-N 1 2 372.412 2.752 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(F)(F)F)s1)C2 ZINC001110179095 1013374746 /nfs/dbraw/zinc/37/47/46/1013374746.db2.gz USRGDSXXNPROGD-AGIUHOORSA-N 1 2 372.412 2.752 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(F)c1 ZINC001111488838 963070519 /nfs/dbraw/zinc/07/05/19/963070519.db2.gz WWPDUBPWSGHWAE-GGBBIFEXSA-N 1 2 350.409 2.777 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(F)c1 ZINC001111488838 963070529 /nfs/dbraw/zinc/07/05/29/963070529.db2.gz WWPDUBPWSGHWAE-GGBBIFEXSA-N 1 2 350.409 2.777 20 30 FFEDLO C#CCN1C[C@@]2(F)C[N@@H+](Cc3ccc(C)c4ccccc34)C[C@@]2(F)C1=O ZINC001276073994 1013406390 /nfs/dbraw/zinc/40/63/90/1013406390.db2.gz INEYMGPBPJVUCQ-LEWJYISDSA-N 1 2 354.400 2.856 20 30 FFEDLO C#CCN1C[C@@]2(F)C[N@H+](Cc3ccc(C)c4ccccc34)C[C@@]2(F)C1=O ZINC001276073994 1013406397 /nfs/dbraw/zinc/40/63/97/1013406397.db2.gz INEYMGPBPJVUCQ-LEWJYISDSA-N 1 2 354.400 2.856 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccc(F)cc2o1 ZINC001110185990 1013460005 /nfs/dbraw/zinc/46/00/05/1013460005.db2.gz RSTRISAHHSGHPJ-IRWJRLHMSA-N 1 2 373.428 2.780 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccc(F)cc2o1 ZINC001110185990 1013460012 /nfs/dbraw/zinc/46/00/12/1013460012.db2.gz RSTRISAHHSGHPJ-IRWJRLHMSA-N 1 2 373.428 2.780 20 30 FFEDLO C=CC[C@@H](C)C(=O)N1CCC[C@]2(C1)C[N@H+](Cc1scnc1C)CCO2 ZINC001269959844 964497263 /nfs/dbraw/zinc/49/72/63/964497263.db2.gz KYADTRDYYLDLMP-DNVCBOLYSA-N 1 2 363.527 2.857 20 30 FFEDLO C=CC[C@@H](C)C(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1scnc1C)CCO2 ZINC001269959844 964497272 /nfs/dbraw/zinc/49/72/72/964497272.db2.gz KYADTRDYYLDLMP-DNVCBOLYSA-N 1 2 363.527 2.857 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c(F)c1 ZINC000135308837 964568154 /nfs/dbraw/zinc/56/81/54/964568154.db2.gz KNTCHSQJPPJOBI-UHFFFAOYSA-N 1 2 353.397 2.806 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1CC(C)C)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001270346032 964978388 /nfs/dbraw/zinc/97/83/88/964978388.db2.gz WYEYBLVMQPBPEJ-YLJYHZDGSA-N 1 2 356.514 2.529 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1C1CCC1)C1CC[NH+]([C@@H](C)c2nc(C)no2)CC1 ZINC001270351432 964981497 /nfs/dbraw/zinc/98/14/97/964981497.db2.gz OIRRNHIZTTXKJR-ZOCIIQOWSA-N 1 2 370.497 2.801 20 30 FFEDLO COc1cc(C)cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1O ZINC000894460396 965391929 /nfs/dbraw/zinc/39/19/29/965391929.db2.gz NBAHUVAGOPIIKZ-GJZGRUSLSA-N 1 2 361.442 2.558 20 30 FFEDLO C=CCCn1cc(CN[C@H](CC)[C@H]2C[N@H+](Cc3ccccc3)CCO2)nn1 ZINC000657400150 966404474 /nfs/dbraw/zinc/40/44/74/966404474.db2.gz WNAXPICCTBCBJC-NHCUHLMSSA-N 1 2 369.513 2.623 20 30 FFEDLO C=CCCn1cc(CN[C@H](CC)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1 ZINC000657400150 966404477 /nfs/dbraw/zinc/40/44/77/966404477.db2.gz WNAXPICCTBCBJC-NHCUHLMSSA-N 1 2 369.513 2.623 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)Cn2cccn2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087502458 967245411 /nfs/dbraw/zinc/24/54/11/967245411.db2.gz IYLHMJIEDDQCNT-RBUKOAKNSA-N 1 2 370.884 2.557 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)Cn2cccn2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087502458 967245416 /nfs/dbraw/zinc/24/54/16/967245416.db2.gz IYLHMJIEDDQCNT-RBUKOAKNSA-N 1 2 370.884 2.557 20 30 FFEDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2c(C#N)sc3ccccc32)CC1 ZINC001211862552 967300489 /nfs/dbraw/zinc/30/04/89/967300489.db2.gz ICPUDOHJCBODPA-ZDUSSCGKSA-N 1 2 363.508 2.878 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCCO2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087509423 967507879 /nfs/dbraw/zinc/50/78/79/967507879.db2.gz CWGXDRKNHBPBMI-GBESFXJTSA-N 1 2 359.445 2.736 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCCO2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087509423 967507885 /nfs/dbraw/zinc/50/78/85/967507885.db2.gz CWGXDRKNHBPBMI-GBESFXJTSA-N 1 2 359.445 2.736 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001211590331 967613110 /nfs/dbraw/zinc/61/31/10/967613110.db2.gz IFXBWYHGOLFJQV-ZWKOTPCHSA-N 1 2 366.465 2.520 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cncc(F)c2)[C@H]1CC ZINC001087539371 967956203 /nfs/dbraw/zinc/95/62/03/967956203.db2.gz POVMTWVJQRBYAD-UONOGXRCSA-N 1 2 356.239 2.712 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cncc(F)c2)[C@H]1CC ZINC001087539371 967956209 /nfs/dbraw/zinc/95/62/09/967956209.db2.gz POVMTWVJQRBYAD-UONOGXRCSA-N 1 2 356.239 2.712 20 30 FFEDLO C=CCN1CCC2(CCN(C(=O)CCc3ccc(C)[nH+]c3C)CC2)C1=O ZINC001271026772 967976058 /nfs/dbraw/zinc/97/60/58/967976058.db2.gz PLXNLLRMLMFQGD-UHFFFAOYSA-N 1 2 355.482 2.658 20 30 FFEDLO C=CCNC(=O)[C@H]1CC12CCN(C(=O)CCc1ccc(C)[nH+]c1C)CC2 ZINC001271026310 967978653 /nfs/dbraw/zinc/97/86/53/967978653.db2.gz HKXIHWIJIDWFCP-GOSISDBHSA-N 1 2 355.482 2.562 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001087609425 968349007 /nfs/dbraw/zinc/34/90/07/968349007.db2.gz LNTKOCDTOHVODM-YGBSJELFSA-N 1 2 373.472 2.982 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001087609425 968349017 /nfs/dbraw/zinc/34/90/17/968349017.db2.gz LNTKOCDTOHVODM-YGBSJELFSA-N 1 2 373.472 2.982 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(CCC(C)C)nn2)[C@H]1CC ZINC001087722395 968743928 /nfs/dbraw/zinc/74/39/28/968743928.db2.gz CFWUZAUZYIILGY-GOEBONIOSA-N 1 2 353.898 2.659 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(CCC(C)C)nn2)[C@H]1CC ZINC001087722395 968743936 /nfs/dbraw/zinc/74/39/36/968743936.db2.gz CFWUZAUZYIILGY-GOEBONIOSA-N 1 2 353.898 2.659 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1nc(C)c(C)o1 ZINC001024441191 968921588 /nfs/dbraw/zinc/92/15/88/968921588.db2.gz ABYZZHQLLDWZCC-KSZLIROESA-N 1 2 361.486 2.743 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nc(C)c(C)o1 ZINC001024441191 968921591 /nfs/dbraw/zinc/92/15/91/968921591.db2.gz ABYZZHQLLDWZCC-KSZLIROESA-N 1 2 361.486 2.743 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ncc(CC)o1 ZINC001024442532 968921992 /nfs/dbraw/zinc/92/19/92/968921992.db2.gz QRJBKMDAWWRPEJ-JQHSSLGASA-N 1 2 361.486 2.689 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ncc(CC)o1 ZINC001024442532 968921997 /nfs/dbraw/zinc/92/19/97/968921997.db2.gz QRJBKMDAWWRPEJ-JQHSSLGASA-N 1 2 361.486 2.689 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c(C)n[nH]c2C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087764823 968966883 /nfs/dbraw/zinc/96/68/83/968966883.db2.gz LMYVNBDVNYQIPX-ZWKOTPCHSA-N 1 2 369.444 2.820 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c(C)n[nH]c2C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087764823 968966895 /nfs/dbraw/zinc/96/68/95/968966895.db2.gz LMYVNBDVNYQIPX-ZWKOTPCHSA-N 1 2 369.444 2.820 20 30 FFEDLO O=C(c1ccncc1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075489172 969051721 /nfs/dbraw/zinc/05/17/21/969051721.db2.gz YQIRHOHUYWISDQ-AZUAARDMSA-N 1 2 365.864 2.933 20 30 FFEDLO O=C(c1ccncc1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075489172 969051731 /nfs/dbraw/zinc/05/17/31/969051731.db2.gz YQIRHOHUYWISDQ-AZUAARDMSA-N 1 2 365.864 2.933 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncoc3C(C)C)[C@@H]2CC)nc1 ZINC001087800327 969123395 /nfs/dbraw/zinc/12/33/95/969123395.db2.gz MLTZKNLEULZEQP-QFBILLFUSA-N 1 2 366.465 2.957 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncoc3C(C)C)[C@@H]2CC)nc1 ZINC001087800327 969123403 /nfs/dbraw/zinc/12/34/03/969123403.db2.gz MLTZKNLEULZEQP-QFBILLFUSA-N 1 2 366.465 2.957 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C(C)C)o3)[C@@H]2CC)cn1 ZINC001087801340 969127421 /nfs/dbraw/zinc/12/74/21/969127421.db2.gz JYLJKWVXZGXFRM-ZWKOTPCHSA-N 1 2 366.465 2.957 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C(C)C)o3)[C@@H]2CC)cn1 ZINC001087801340 969127428 /nfs/dbraw/zinc/12/74/28/969127428.db2.gz JYLJKWVXZGXFRM-ZWKOTPCHSA-N 1 2 366.465 2.957 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3csc(CC)n3)[C@@H]2CC)nc1 ZINC001087802565 970303124 /nfs/dbraw/zinc/30/31/24/970303124.db2.gz XLXNBCGHEIGQKK-FUHWJXTLSA-N 1 2 368.506 2.865 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3csc(CC)n3)[C@@H]2CC)nc1 ZINC001087802565 970303132 /nfs/dbraw/zinc/30/31/32/970303132.db2.gz XLXNBCGHEIGQKK-FUHWJXTLSA-N 1 2 368.506 2.865 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2nnc(C)s2)[C@@H]1CC ZINC001087810314 970318773 /nfs/dbraw/zinc/31/87/73/970318773.db2.gz OKFHVTDXTNGGEU-ZWKOTPCHSA-N 1 2 368.506 2.540 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2nnc(C)s2)[C@@H]1CC ZINC001087810314 970318784 /nfs/dbraw/zinc/31/87/84/970318784.db2.gz OKFHVTDXTNGGEU-ZWKOTPCHSA-N 1 2 368.506 2.540 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000984459685 970535145 /nfs/dbraw/zinc/53/51/45/970535145.db2.gz QWGJQFMMNNWMLJ-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000984459685 970535155 /nfs/dbraw/zinc/53/51/55/970535155.db2.gz QWGJQFMMNNWMLJ-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2cn3ccccc3c2C#N)cc1OC ZINC000177553274 970581963 /nfs/dbraw/zinc/58/19/63/970581963.db2.gz CYOTXYDLZUAFSO-UHFFFAOYSA-N 1 2 350.378 2.665 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](Cc4nc(CCC)no4)CC[C@@H]3C2)C1 ZINC001088098329 972772374 /nfs/dbraw/zinc/77/23/74/972772374.db2.gz DOOXKRFLJODXIX-CVEARBPZSA-N 1 2 358.486 2.659 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](Cc4nc(CCC)no4)CC[C@@H]3C2)C1 ZINC001088098329 972772386 /nfs/dbraw/zinc/77/23/86/972772386.db2.gz DOOXKRFLJODXIX-CVEARBPZSA-N 1 2 358.486 2.659 20 30 FFEDLO C#CC[N@H+](Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000897171197 973411023 /nfs/dbraw/zinc/41/10/23/973411023.db2.gz SEYBIWRHASOPNV-INIZCTEOSA-N 1 2 361.490 2.694 20 30 FFEDLO C#CC[N@@H+](Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000897171197 973411028 /nfs/dbraw/zinc/41/10/28/973411028.db2.gz SEYBIWRHASOPNV-INIZCTEOSA-N 1 2 361.490 2.694 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001066794729 1014130532 /nfs/dbraw/zinc/13/05/32/1014130532.db2.gz WAYBODNMSWDSEF-LNLFQRSKSA-N 1 2 358.486 2.631 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)c4cccc(Cl)c4)C3)C2)cc1C#N ZINC001271506432 973822425 /nfs/dbraw/zinc/82/24/25/973822425.db2.gz BSXJWFAJRXJBDD-UHFFFAOYSA-N 1 2 354.841 2.508 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC000976890113 974494534 /nfs/dbraw/zinc/49/45/34/974494534.db2.gz ZJOLVBLQDJWLEK-IAGOWNOFSA-N 1 2 371.481 2.533 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2cccn2)C1 ZINC001087421741 974664472 /nfs/dbraw/zinc/66/44/72/974664472.db2.gz UTLXWDCMYJSWEA-QZTJIDSGSA-N 1 2 358.873 2.610 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2cccn2)C1 ZINC001087421741 974664476 /nfs/dbraw/zinc/66/44/76/974664476.db2.gz UTLXWDCMYJSWEA-QZTJIDSGSA-N 1 2 358.873 2.610 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2nocc2C)C1 ZINC001027607899 975010236 /nfs/dbraw/zinc/01/02/36/975010236.db2.gz IUBKEICGJUOBOK-AOIWGVFYSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nocc2C)C1 ZINC001027607899 975010241 /nfs/dbraw/zinc/01/02/41/975010241.db2.gz IUBKEICGJUOBOK-AOIWGVFYSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4ccccc4)n3)[C@@H]2C1 ZINC001075985719 975937868 /nfs/dbraw/zinc/93/78/68/975937868.db2.gz NYCRVIPCAJMJAK-MAUKXSAKSA-N 1 2 356.857 2.771 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4ccccc4)n3)[C@@H]2C1 ZINC001075985719 975937880 /nfs/dbraw/zinc/93/78/80/975937880.db2.gz NYCRVIPCAJMJAK-MAUKXSAKSA-N 1 2 356.857 2.771 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc3ccccc3nn2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088784472 976198028 /nfs/dbraw/zinc/19/80/28/976198028.db2.gz ALFHLVJPMUZVFX-BEFAXECRSA-N 1 2 371.444 2.894 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc3ccccc3nn2)CC[N@H+]1Cc1ccccc1C#N ZINC001088784472 976198034 /nfs/dbraw/zinc/19/80/34/976198034.db2.gz ALFHLVJPMUZVFX-BEFAXECRSA-N 1 2 371.444 2.894 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ncoc1C(C)C ZINC001028194988 977092654 /nfs/dbraw/zinc/09/26/54/977092654.db2.gz IBULKSDINPPILV-RYRKJORJSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ncoc1C(C)C ZINC001028194988 977092662 /nfs/dbraw/zinc/09/26/62/977092662.db2.gz IBULKSDINPPILV-RYRKJORJSA-N 1 2 361.486 2.860 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@H]21 ZINC001075616500 977324013 /nfs/dbraw/zinc/32/40/13/977324013.db2.gz VEZCLOKSBHUSLO-DHSIGJKJSA-N 1 2 368.412 2.673 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@H]21 ZINC001075616500 977324019 /nfs/dbraw/zinc/32/40/19/977324019.db2.gz VEZCLOKSBHUSLO-DHSIGJKJSA-N 1 2 368.412 2.673 20 30 FFEDLO C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2snnc2C)C1 ZINC001087453062 977718596 /nfs/dbraw/zinc/71/85/96/977718596.db2.gz ZVWAEXVDKRJFID-HZPDHXFCSA-N 1 2 360.458 2.760 20 30 FFEDLO C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2snnc2C)C1 ZINC001087453062 977718601 /nfs/dbraw/zinc/71/86/01/977718601.db2.gz ZVWAEXVDKRJFID-HZPDHXFCSA-N 1 2 360.458 2.760 20 30 FFEDLO C=C(C)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001087453391 977761306 /nfs/dbraw/zinc/76/13/06/977761306.db2.gz QIWLFWKWZGZQPU-VAMGGRTRSA-N 1 2 359.489 2.770 20 30 FFEDLO C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ncccc2O)C1 ZINC001087454821 977768630 /nfs/dbraw/zinc/76/86/30/977768630.db2.gz LEMYXMUNWFSVDA-IAGOWNOFSA-N 1 2 355.413 2.700 20 30 FFEDLO C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ncccc2O)C1 ZINC001087454821 977768633 /nfs/dbraw/zinc/76/86/33/977768633.db2.gz LEMYXMUNWFSVDA-IAGOWNOFSA-N 1 2 355.413 2.700 20 30 FFEDLO CCc1nocc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088842169 977848721 /nfs/dbraw/zinc/84/87/21/977848721.db2.gz QUANXOOMCOYXCG-XIKOKIGWSA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1nocc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088842169 977848724 /nfs/dbraw/zinc/84/87/24/977848724.db2.gz QUANXOOMCOYXCG-XIKOKIGWSA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1nocc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088842204 977883780 /nfs/dbraw/zinc/88/37/80/977883780.db2.gz SMEACUMULPJQKL-KUHUBIRLSA-N 1 2 355.413 2.620 20 30 FFEDLO CCc1nocc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088842204 977883784 /nfs/dbraw/zinc/88/37/84/977883784.db2.gz SMEACUMULPJQKL-KUHUBIRLSA-N 1 2 355.413 2.620 20 30 FFEDLO C[C@H](c1cccc(NC(=O)c2cccc(C#CCO)c2)c1)[NH+]1CCOCC1 ZINC000900577423 979234786 /nfs/dbraw/zinc/23/47/86/979234786.db2.gz TYAVRHJVFGXESV-QGZVFWFLSA-N 1 2 364.445 2.676 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-c4c[nH]cn4)cc3)[C@@H]2C1 ZINC001076423003 979478519 /nfs/dbraw/zinc/47/85/19/979478519.db2.gz PIPASDFHESSVNI-FUHWJXTLSA-N 1 2 356.857 2.976 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-c4c[nH]cn4)cc3)[C@@H]2C1 ZINC001076423003 979478524 /nfs/dbraw/zinc/47/85/24/979478524.db2.gz PIPASDFHESSVNI-FUHWJXTLSA-N 1 2 356.857 2.976 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(OC)ccc3OC)[C@@H]2C1 ZINC001076552422 979642836 /nfs/dbraw/zinc/64/28/36/979642836.db2.gz ZRGMJDPHZYMGNH-XJKSGUPXSA-N 1 2 350.846 2.603 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(OC)ccc3OC)[C@@H]2C1 ZINC001076552422 979642838 /nfs/dbraw/zinc/64/28/38/979642838.db2.gz ZRGMJDPHZYMGNH-XJKSGUPXSA-N 1 2 350.846 2.603 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]21)c1ccccc1 ZINC001076597523 979696722 /nfs/dbraw/zinc/69/67/22/979696722.db2.gz FMYUIULGWUTIJR-GBESFXJTSA-N 1 2 351.450 2.986 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]21)c1ccccc1 ZINC001076597523 979696728 /nfs/dbraw/zinc/69/67/28/979696728.db2.gz FMYUIULGWUTIJR-GBESFXJTSA-N 1 2 351.450 2.986 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(CC)o3)C[C@H]21)c1ccccc1 ZINC001076599422 979702535 /nfs/dbraw/zinc/70/25/35/979702535.db2.gz OPWUTMNGRZVYOD-OKZBNKHCSA-N 1 2 366.465 2.635 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3nnc(CC)o3)C[C@H]21)c1ccccc1 ZINC001076599422 979702538 /nfs/dbraw/zinc/70/25/38/979702538.db2.gz OPWUTMNGRZVYOD-OKZBNKHCSA-N 1 2 366.465 2.635 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C[C@@H]3C=CCC3)[C@H]2C)c1 ZINC001088461986 979706882 /nfs/dbraw/zinc/70/68/82/979706882.db2.gz CLVBQZKGCCCUJP-POAQFYNOSA-N 1 2 365.477 2.542 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3C=CCC3)[C@H]2C)c1 ZINC001088461986 979706887 /nfs/dbraw/zinc/70/68/87/979706887.db2.gz CLVBQZKGCCCUJP-POAQFYNOSA-N 1 2 365.477 2.542 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC000986361625 979942478 /nfs/dbraw/zinc/94/24/78/979942478.db2.gz BJMDHYLPWPILSL-ZBFHGGJFSA-N 1 2 366.465 2.696 20 30 FFEDLO Cc1cc(CC(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)[C@@H]2C)no1 ZINC001088497600 980073526 /nfs/dbraw/zinc/07/35/26/980073526.db2.gz GXQRAYJPLVTMEO-BEFAXECRSA-N 1 2 371.868 2.810 20 30 FFEDLO Cc1cc(CC(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)[C@@H]2C)no1 ZINC001088497600 980073536 /nfs/dbraw/zinc/07/35/36/980073536.db2.gz GXQRAYJPLVTMEO-BEFAXECRSA-N 1 2 371.868 2.810 20 30 FFEDLO Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)c1 ZINC001088504788 980205708 /nfs/dbraw/zinc/20/57/08/980205708.db2.gz BXSTWSKYRKAQON-KUHUBIRLSA-N 1 2 352.413 2.794 20 30 FFEDLO Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)c1 ZINC001088504788 980205714 /nfs/dbraw/zinc/20/57/14/980205714.db2.gz BXSTWSKYRKAQON-KUHUBIRLSA-N 1 2 352.413 2.794 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)o1 ZINC001088506888 980216311 /nfs/dbraw/zinc/21/63/11/980216311.db2.gz QSKJUHZWDBHZRD-PXAZEXFGSA-N 1 2 356.401 2.695 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)o1 ZINC001088506888 980216315 /nfs/dbraw/zinc/21/63/15/980216315.db2.gz QSKJUHZWDBHZRD-PXAZEXFGSA-N 1 2 356.401 2.695 20 30 FFEDLO CCC(CC)n1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)n1 ZINC001088529216 980446607 /nfs/dbraw/zinc/44/66/07/980446607.db2.gz LMNYTYUBCWMWLQ-KDOFPFPSSA-N 1 2 368.485 2.837 20 30 FFEDLO CCC(CC)n1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)n1 ZINC001088529216 980446611 /nfs/dbraw/zinc/44/66/11/980446611.db2.gz LMNYTYUBCWMWLQ-KDOFPFPSSA-N 1 2 368.485 2.837 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088550631 980598239 /nfs/dbraw/zinc/59/82/39/980598239.db2.gz LARJXVFPGCQVAB-BWAGICSOSA-N 1 2 351.372 2.678 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088550631 980598244 /nfs/dbraw/zinc/59/82/44/980598244.db2.gz LARJXVFPGCQVAB-BWAGICSOSA-N 1 2 351.372 2.678 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H](CN(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000988302436 981056676 /nfs/dbraw/zinc/05/66/76/981056676.db2.gz RJRAGXFSGIOIOA-KBAYOESNSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H](CN(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000988302436 981056680 /nfs/dbraw/zinc/05/66/80/981056680.db2.gz RJRAGXFSGIOIOA-KBAYOESNSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)n2)[C@@H]1C ZINC001088576053 981229590 /nfs/dbraw/zinc/22/95/90/981229590.db2.gz ULNHZWSNPGYYEF-SIXLDLHFSA-N 1 2 363.889 2.795 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)[C@@H]1C ZINC001088576053 981229593 /nfs/dbraw/zinc/22/95/93/981229593.db2.gz ULNHZWSNPGYYEF-SIXLDLHFSA-N 1 2 363.889 2.795 20 30 FFEDLO N#CCCCN1C(=O)CCc2cc(NC(=O)CNc3cccc[nH+]3)ccc21 ZINC000907650184 981274294 /nfs/dbraw/zinc/27/42/94/981274294.db2.gz IOPAMZSHUSOMCH-UHFFFAOYSA-N 1 2 363.421 2.715 20 30 FFEDLO Cc1ccc(C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c(Cl)c1 ZINC001272083779 981314832 /nfs/dbraw/zinc/31/48/32/981314832.db2.gz MWEMOBAQQUOIAR-UHFFFAOYSA-N 1 2 368.868 2.817 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCc3c2cc(F)cc3F)C[C@H]1OC ZINC001211999195 981429365 /nfs/dbraw/zinc/42/93/65/981429365.db2.gz BFWOJINUYVJVGX-FGTMMUONSA-N 1 2 350.409 2.734 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3c2cc(F)cc3F)C[C@H]1OC ZINC001211999195 981429368 /nfs/dbraw/zinc/42/93/68/981429368.db2.gz BFWOJINUYVJVGX-FGTMMUONSA-N 1 2 350.409 2.734 20 30 FFEDLO Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000908589891 981477608 /nfs/dbraw/zinc/47/76/08/981477608.db2.gz ZLAHFPSUGKOWPN-UHFFFAOYSA-N 1 2 359.437 2.830 20 30 FFEDLO C=CCn1c(C2CCOCC2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000908677317 981501949 /nfs/dbraw/zinc/50/19/49/981501949.db2.gz JEOOTXHBMBOJLM-UHFFFAOYSA-N 1 2 368.485 2.834 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(OC)c(OC)c3C)[C@@H]2C1 ZINC001075925658 981681109 /nfs/dbraw/zinc/68/11/09/981681109.db2.gz YDEWWTPBIIBKFZ-GOEBONIOSA-N 1 2 364.873 2.911 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(OC)c(OC)c3C)[C@@H]2C1 ZINC001075925658 981681114 /nfs/dbraw/zinc/68/11/14/981681114.db2.gz YDEWWTPBIIBKFZ-GOEBONIOSA-N 1 2 364.873 2.911 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[NH+]1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000877910678 1014761661 /nfs/dbraw/zinc/76/16/61/1014761661.db2.gz WRDHJWHADRRDTI-QFIPXVFZSA-N 1 2 373.460 2.516 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001083633365 981797266 /nfs/dbraw/zinc/79/72/66/981797266.db2.gz ULFQWNWWHQDQEB-MKXGPGLRSA-N 1 2 374.912 2.535 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001083633365 981797268 /nfs/dbraw/zinc/79/72/68/981797268.db2.gz ULFQWNWWHQDQEB-MKXGPGLRSA-N 1 2 374.912 2.535 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnc(C3CC3)o2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088629118 982020896 /nfs/dbraw/zinc/02/08/96/982020896.db2.gz FERMIGDQCLRBBJ-ABAIWWIYSA-N 1 2 356.451 2.878 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnc(C3CC3)o2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088629118 982020904 /nfs/dbraw/zinc/02/09/04/982020904.db2.gz FERMIGDQCLRBBJ-ABAIWWIYSA-N 1 2 356.451 2.878 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC2(F)F)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088650287 982161039 /nfs/dbraw/zinc/16/10/39/982161039.db2.gz OHOLYUDQWOFTSA-LYRGGWFBSA-N 1 2 351.372 2.822 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC2(F)F)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088650287 982161041 /nfs/dbraw/zinc/16/10/41/982161041.db2.gz OHOLYUDQWOFTSA-LYRGGWFBSA-N 1 2 351.372 2.822 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000072807337 983868105 /nfs/dbraw/zinc/86/81/05/983868105.db2.gz CDOZDVWHNLPYEB-UHFFFAOYSA-N 1 2 363.421 2.765 20 30 FFEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccc(F)cc3)n(CC=C)c2=S)CC1 ZINC000913058318 984175141 /nfs/dbraw/zinc/17/51/41/984175141.db2.gz YSRJJJQKXHFVTR-UHFFFAOYSA-N 1 2 371.485 2.614 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCN(C(=O)C2CC2)CC1(C)C)c1ccccc1 ZINC000878378073 1015016066 /nfs/dbraw/zinc/01/60/66/1015016066.db2.gz DJHRJQHJYWUMOE-JOCHJYFZSA-N 1 2 367.493 2.760 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCN(C(=O)C2CC2)CC1(C)C)c1ccccc1 ZINC000878378073 1015016077 /nfs/dbraw/zinc/01/60/77/1015016077.db2.gz DJHRJQHJYWUMOE-JOCHJYFZSA-N 1 2 367.493 2.760 20 30 FFEDLO C#CCOc1ccc(F)cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000156564206 984344521 /nfs/dbraw/zinc/34/45/21/984344521.db2.gz JEQCSVUTNLTCJR-HXUWFJFHSA-N 1 2 368.408 2.677 20 30 FFEDLO C#CCOc1ccc(F)cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000156564206 984344526 /nfs/dbraw/zinc/34/45/26/984344526.db2.gz JEQCSVUTNLTCJR-HXUWFJFHSA-N 1 2 368.408 2.677 20 30 FFEDLO C#CCCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnc(C3CC3)[nH]1)CC2 ZINC001107372842 984483957 /nfs/dbraw/zinc/48/39/57/984483957.db2.gz SNCYUSKKBWQLDV-DYESRHJHSA-N 1 2 369.513 2.737 20 30 FFEDLO C#CCCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnc(C3CC3)[nH]1)CC2 ZINC001107372842 984483958 /nfs/dbraw/zinc/48/39/58/984483958.db2.gz SNCYUSKKBWQLDV-DYESRHJHSA-N 1 2 369.513 2.737 20 30 FFEDLO Cc1nsc(NC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1C#N ZINC001060319487 984687979 /nfs/dbraw/zinc/68/79/79/984687979.db2.gz XDAYQEPGOXWKMN-BFHYXJOUSA-N 1 2 370.482 2.643 20 30 FFEDLO Cc1nsc(NC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1C#N ZINC001060319487 984687984 /nfs/dbraw/zinc/68/79/84/984687984.db2.gz XDAYQEPGOXWKMN-BFHYXJOUSA-N 1 2 370.482 2.643 20 30 FFEDLO COc1ccc(-c2noc(CO[NH+]=C(N)c3ccc4c(c3)CCO4)n2)cc1 ZINC000158200813 984793127 /nfs/dbraw/zinc/79/31/27/984793127.db2.gz BHLZXVQSZZETAB-UHFFFAOYSA-N 1 2 366.377 2.517 20 30 FFEDLO CC[C@@]1(C)COCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000761109552 984796014 /nfs/dbraw/zinc/79/60/14/984796014.db2.gz JQPPHZGHWMBWOQ-YWZLYKJASA-N 1 2 350.422 2.725 20 30 FFEDLO CC[C@@]1(C)COCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000761109552 984796018 /nfs/dbraw/zinc/79/60/18/984796018.db2.gz JQPPHZGHWMBWOQ-YWZLYKJASA-N 1 2 350.422 2.725 20 30 FFEDLO CCc1ncoc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088845847 984969025 /nfs/dbraw/zinc/96/90/25/984969025.db2.gz ICDRDKOXIKSUDO-PXAZEXFGSA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1ncoc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088845847 984969033 /nfs/dbraw/zinc/96/90/33/984969033.db2.gz ICDRDKOXIKSUDO-PXAZEXFGSA-N 1 2 356.401 2.641 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H](O)C2CCCCC2)CC1=O ZINC000170818136 985152906 /nfs/dbraw/zinc/15/29/06/985152906.db2.gz SGXDFQRBJUZLLX-QGZVFWFLSA-N 1 2 368.481 2.587 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H](O)C2CCCCC2)CC1=O ZINC000170818135 985153648 /nfs/dbraw/zinc/15/36/48/985153648.db2.gz SGXDFQRBJUZLLX-KRWDZBQOSA-N 1 2 368.481 2.587 20 30 FFEDLO CC(C)c1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)[nH]n1 ZINC001088874361 985238481 /nfs/dbraw/zinc/23/84/81/985238481.db2.gz ZMTMGSXQDCRSKN-DYVFJYSZSA-N 1 2 369.444 2.937 20 30 FFEDLO CC(C)c1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)[nH]n1 ZINC001088874361 985238490 /nfs/dbraw/zinc/23/84/90/985238490.db2.gz ZMTMGSXQDCRSKN-DYVFJYSZSA-N 1 2 369.444 2.937 20 30 FFEDLO Cc1c(Cl)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)nn1C ZINC001088890264 985330189 /nfs/dbraw/zinc/33/01/89/985330189.db2.gz JIYNNGOSPBAMHD-WBMJQRKESA-N 1 2 371.872 2.646 20 30 FFEDLO Cc1c(Cl)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)nn1C ZINC001088890264 985330199 /nfs/dbraw/zinc/33/01/99/985330199.db2.gz JIYNNGOSPBAMHD-WBMJQRKESA-N 1 2 371.872 2.646 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncoc2C2CC2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088959869 985625579 /nfs/dbraw/zinc/62/55/79/985625579.db2.gz BDYUCPCDRYZOSE-DYVFJYSZSA-N 1 2 350.422 2.816 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncoc2C2CC2)CC[N@H+]1Cc1ccccc1C#N ZINC001088959869 985625586 /nfs/dbraw/zinc/62/55/86/985625586.db2.gz BDYUCPCDRYZOSE-DYVFJYSZSA-N 1 2 350.422 2.816 20 30 FFEDLO C=CCn1c2ccccc2n(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1=S ZINC000172936169 985719014 /nfs/dbraw/zinc/71/90/14/985719014.db2.gz XJZMRAGZFQZUMW-KRWDZBQOSA-N 1 2 372.538 2.970 20 30 FFEDLO C=CCn1c2ccccc2n(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1=S ZINC000172936169 985719018 /nfs/dbraw/zinc/71/90/18/985719018.db2.gz XJZMRAGZFQZUMW-KRWDZBQOSA-N 1 2 372.538 2.970 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088997781 985859211 /nfs/dbraw/zinc/85/92/11/985859211.db2.gz JNIGFTMEJALBEW-DOMZBBRYSA-N 1 2 361.804 2.711 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088997781 985859225 /nfs/dbraw/zinc/85/92/25/985859225.db2.gz JNIGFTMEJALBEW-DOMZBBRYSA-N 1 2 361.804 2.711 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001089031822 986021062 /nfs/dbraw/zinc/02/10/62/986021062.db2.gz GFMKUMKMIQDBPG-PBHICJAKSA-N 1 2 352.438 2.810 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001089031822 986021073 /nfs/dbraw/zinc/02/10/73/986021073.db2.gz GFMKUMKMIQDBPG-PBHICJAKSA-N 1 2 352.438 2.810 20 30 FFEDLO CC[C@@H](CC(F)F)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212401198 986116184 /nfs/dbraw/zinc/11/61/84/986116184.db2.gz IFYLQQPVHKWVDB-NILFDRSVSA-N 1 2 371.453 2.617 20 30 FFEDLO CC[C@@H](CC(F)F)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212401198 986116187 /nfs/dbraw/zinc/11/61/87/986116187.db2.gz IFYLQQPVHKWVDB-NILFDRSVSA-N 1 2 371.453 2.617 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001007358913 1015193629 /nfs/dbraw/zinc/19/36/29/1015193629.db2.gz XUEBQTMBNAYWGF-ACRUOGEOSA-N 1 2 354.494 2.680 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001007358913 1015193633 /nfs/dbraw/zinc/19/36/33/1015193633.db2.gz XUEBQTMBNAYWGF-ACRUOGEOSA-N 1 2 354.494 2.680 20 30 FFEDLO CC[NH+]1CCN(c2ccc(C(=O)Nc3cc(C#N)ccc3O)cc2F)CC1 ZINC000176398515 986907319 /nfs/dbraw/zinc/90/73/19/986907319.db2.gz BIQOYFOBKFUGPV-UHFFFAOYSA-N 1 2 368.412 2.797 20 30 FFEDLO C=CCC[C@H](NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000673269625 987960716 /nfs/dbraw/zinc/96/07/16/987960716.db2.gz HDTDIRZUGGXPJU-OALUTQOASA-N 1 2 366.465 2.870 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCc3c(CC(N)=O)cccc3C2)c1C ZINC000879230127 1015421628 /nfs/dbraw/zinc/42/16/28/1015421628.db2.gz JAKIZNZARWLNBW-UHFFFAOYSA-N 1 2 365.477 2.560 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCc3c(CC(N)=O)cccc3C2)c1C ZINC000879230127 1015421637 /nfs/dbraw/zinc/42/16/37/1015421637.db2.gz JAKIZNZARWLNBW-UHFFFAOYSA-N 1 2 365.477 2.560 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1Cc2cccnc2N2C[C@H](OC)C[C@H]2C1 ZINC000879269172 1015448724 /nfs/dbraw/zinc/44/87/24/1015448724.db2.gz JMRGIXRPCKGBJW-RBUKOAKNSA-N 1 2 364.449 2.571 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1Cc2cccnc2N2C[C@H](OC)C[C@H]2C1 ZINC000879269172 1015448731 /nfs/dbraw/zinc/44/87/31/1015448731.db2.gz JMRGIXRPCKGBJW-RBUKOAKNSA-N 1 2 364.449 2.571 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1Cc2cccnc2N2C[C@@H](OC)C[C@H]2C1 ZINC000879269171 1015448847 /nfs/dbraw/zinc/44/88/47/1015448847.db2.gz JMRGIXRPCKGBJW-OALUTQOASA-N 1 2 364.449 2.571 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1Cc2cccnc2N2C[C@@H](OC)C[C@H]2C1 ZINC000879269171 1015448852 /nfs/dbraw/zinc/44/88/52/1015448852.db2.gz JMRGIXRPCKGBJW-OALUTQOASA-N 1 2 364.449 2.571 20 30 FFEDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccccc1F ZINC000763232888 989246972 /nfs/dbraw/zinc/24/69/72/989246972.db2.gz IMVGCAAPXMCHFC-RBUKOAKNSA-N 1 2 350.397 2.843 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)nc1 ZINC000766036892 989327485 /nfs/dbraw/zinc/32/74/85/989327485.db2.gz GKTXNAGTKDPKTR-RBUKOAKNSA-N 1 2 369.852 2.518 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)nc1 ZINC000766036892 989327493 /nfs/dbraw/zinc/32/74/93/989327493.db2.gz GKTXNAGTKDPKTR-RBUKOAKNSA-N 1 2 369.852 2.518 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cn1 ZINC000766041258 989363654 /nfs/dbraw/zinc/36/36/54/989363654.db2.gz VATAMQMGGOUIAO-MOPGFXCFSA-N 1 2 369.852 2.518 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000766041258 989363665 /nfs/dbraw/zinc/36/36/65/989363665.db2.gz VATAMQMGGOUIAO-MOPGFXCFSA-N 1 2 369.852 2.518 20 30 FFEDLO CN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033277714 989477651 /nfs/dbraw/zinc/47/76/51/989477651.db2.gz BMRIFIYGQCZMOV-ZNWBIBPKSA-N 1 2 371.456 2.545 20 30 FFEDLO CN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033277714 989477654 /nfs/dbraw/zinc/47/76/54/989477654.db2.gz BMRIFIYGQCZMOV-ZNWBIBPKSA-N 1 2 371.456 2.545 20 30 FFEDLO CC(=NNc1nc2ccccc2[nH]1)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000915915622 989706873 /nfs/dbraw/zinc/70/68/73/989706873.db2.gz SQBXFQWTVBBNDZ-UHFFFAOYSA-N 1 2 365.437 2.937 20 30 FFEDLO CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C[C@H](C)n2cc[nH+]c2)C1=O ZINC000917364406 990202092 /nfs/dbraw/zinc/20/20/92/990202092.db2.gz GALVLCIYVLFNAO-KBXCAEBGSA-N 1 2 363.462 2.536 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccc(OC)cc1 ZINC000917408467 990213209 /nfs/dbraw/zinc/21/32/09/990213209.db2.gz PHAZSANOQAQJQT-UHFFFAOYSA-N 1 2 366.421 2.904 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccc(OC)cc1 ZINC000917408467 990213213 /nfs/dbraw/zinc/21/32/13/990213213.db2.gz PHAZSANOQAQJQT-UHFFFAOYSA-N 1 2 366.421 2.904 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001108155553 990252194 /nfs/dbraw/zinc/25/21/94/990252194.db2.gz UAELQMNFKSYCKN-QBIMZIAESA-N 1 2 358.486 2.562 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879499642 1015564068 /nfs/dbraw/zinc/56/40/68/1015564068.db2.gz AGZCDWJAVXATFU-HNAYVOBHSA-N 1 2 361.449 2.765 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879499642 1015564077 /nfs/dbraw/zinc/56/40/77/1015564077.db2.gz AGZCDWJAVXATFU-HNAYVOBHSA-N 1 2 361.449 2.765 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000504345603 990567372 /nfs/dbraw/zinc/56/73/72/990567372.db2.gz MYHRNXRKFCJQCU-QGZVFWFLSA-N 1 2 366.465 2.883 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C1CC[NH+](Cc2cnns2)CC1 ZINC001483985551 991302096 /nfs/dbraw/zinc/30/20/96/991302096.db2.gz BAYUIZPQWJSPGH-ZYSHUDEJSA-N 1 2 372.538 2.791 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@H]1OC ZINC001212337480 991726346 /nfs/dbraw/zinc/72/63/46/991726346.db2.gz PKHJCQXOZLFVLB-ZIAGYGMSSA-N 1 2 357.907 2.546 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)s2)C[C@H]1OC ZINC001212337480 991726353 /nfs/dbraw/zinc/72/63/53/991726353.db2.gz PKHJCQXOZLFVLB-ZIAGYGMSSA-N 1 2 357.907 2.546 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(CC)s2)C1 ZINC001079137939 991826601 /nfs/dbraw/zinc/82/66/01/991826601.db2.gz DGNACPWVMRSSLE-RTBURBONSA-N 1 2 368.502 2.631 20 30 FFEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(CC)s2)C1 ZINC001079137939 991826605 /nfs/dbraw/zinc/82/66/05/991826605.db2.gz DGNACPWVMRSSLE-RTBURBONSA-N 1 2 368.502 2.631 20 30 FFEDLO CC[C@H](CO)[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000879743117 1015662356 /nfs/dbraw/zinc/66/23/56/1015662356.db2.gz UDKRWVRBBZZZAV-LJQANCHMSA-N 1 2 372.490 2.605 20 30 FFEDLO CC[C@H](CO)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000879743117 1015662359 /nfs/dbraw/zinc/66/23/59/1015662359.db2.gz UDKRWVRBBZZZAV-LJQANCHMSA-N 1 2 372.490 2.605 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2Cl)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079600065 992247778 /nfs/dbraw/zinc/24/77/78/992247778.db2.gz PGLFFSFECDAGSJ-BDJLRTHQSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2Cl)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079600065 992247786 /nfs/dbraw/zinc/24/77/86/992247786.db2.gz PGLFFSFECDAGSJ-BDJLRTHQSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)c1ccns1 ZINC001079791223 992422844 /nfs/dbraw/zinc/42/28/44/992422844.db2.gz YPFJLIGGQXJBCN-CZUORRHYSA-N 1 2 359.882 2.898 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)c1ccns1 ZINC001079791223 992422846 /nfs/dbraw/zinc/42/28/46/992422846.db2.gz YPFJLIGGQXJBCN-CZUORRHYSA-N 1 2 359.882 2.898 20 30 FFEDLO C[C@H]1[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCOC1(C)C ZINC000763626664 992506224 /nfs/dbraw/zinc/50/62/24/992506224.db2.gz DDAOVASTDQVPSL-UKRRQHHQSA-N 1 2 350.422 2.723 20 30 FFEDLO C[C@H]1[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCOC1(C)C ZINC000763626664 992506235 /nfs/dbraw/zinc/50/62/35/992506235.db2.gz DDAOVASTDQVPSL-UKRRQHHQSA-N 1 2 350.422 2.723 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]2C)cc1 ZINC001079977879 992638167 /nfs/dbraw/zinc/63/81/67/992638167.db2.gz PARKAFQTCTTYGX-RHSMWYFYSA-N 1 2 357.479 2.958 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3nccs3)C[C@H]2C)cc1 ZINC001079977879 992638171 /nfs/dbraw/zinc/63/81/71/992638171.db2.gz PARKAFQTCTTYGX-RHSMWYFYSA-N 1 2 357.479 2.958 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3ccccc23)C1 ZINC001080105741 992737697 /nfs/dbraw/zinc/73/76/97/992737697.db2.gz BZGXOSKCWTVDCB-IUODEOHRSA-N 1 2 362.271 2.898 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3ccccc23)C1 ZINC001080105741 992737702 /nfs/dbraw/zinc/73/77/02/992737702.db2.gz BZGXOSKCWTVDCB-IUODEOHRSA-N 1 2 362.271 2.898 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3ccc(F)cc3O2)C1 ZINC001080129884 992764226 /nfs/dbraw/zinc/76/42/26/992764226.db2.gz QYJBXBBMJSZSDN-HFBAOOFYSA-N 1 2 352.837 2.708 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3ccc(F)cc3O2)C1 ZINC001080129884 992764231 /nfs/dbraw/zinc/76/42/31/992764231.db2.gz QYJBXBBMJSZSDN-HFBAOOFYSA-N 1 2 352.837 2.708 20 30 FFEDLO Cc1cnc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)cc1C ZINC001080173770 992792850 /nfs/dbraw/zinc/79/28/50/992792850.db2.gz PMGUZHCCJIVEOP-FOIQADDNSA-N 1 2 366.440 2.960 20 30 FFEDLO Cc1cnc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)cc1C ZINC001080173770 992792857 /nfs/dbraw/zinc/79/28/57/992792857.db2.gz PMGUZHCCJIVEOP-FOIQADDNSA-N 1 2 366.440 2.960 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C3CC3)CCOCC2)C1 ZINC001080194426 992812184 /nfs/dbraw/zinc/81/21/84/992812184.db2.gz CAIJAJMEQCIGEF-IUODEOHRSA-N 1 2 371.319 2.538 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C3CC3)CCOCC2)C1 ZINC001080194426 992812189 /nfs/dbraw/zinc/81/21/89/992812189.db2.gz CAIJAJMEQCIGEF-IUODEOHRSA-N 1 2 371.319 2.538 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3)C[C@H]2C)CC1 ZINC001080383481 993001300 /nfs/dbraw/zinc/00/13/00/993001300.db2.gz GJJLRBRAZFSCSX-VQIMIIECSA-N 1 2 355.482 2.808 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)Nc3ccccc3)C[C@H]2C)CC1 ZINC001080383481 993001307 /nfs/dbraw/zinc/00/13/07/993001307.db2.gz GJJLRBRAZFSCSX-VQIMIIECSA-N 1 2 355.482 2.808 20 30 FFEDLO Cc1nocc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC001080365894 993011595 /nfs/dbraw/zinc/01/15/95/993011595.db2.gz JCJREKWLIJUMFS-FZKQIMNGSA-N 1 2 357.841 2.738 20 30 FFEDLO Cc1nocc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC001080365894 993011601 /nfs/dbraw/zinc/01/16/01/993011601.db2.gz JCJREKWLIJUMFS-FZKQIMNGSA-N 1 2 357.841 2.738 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001080589908 993196474 /nfs/dbraw/zinc/19/64/74/993196474.db2.gz RXDPJQYFFRFSDS-MDNKFWRPSA-N 1 2 374.529 2.772 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001080589908 993196481 /nfs/dbraw/zinc/19/64/81/993196481.db2.gz RXDPJQYFFRFSDS-MDNKFWRPSA-N 1 2 374.529 2.772 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)s2)C[C@H]1C ZINC001080589668 993196669 /nfs/dbraw/zinc/19/66/69/993196669.db2.gz FZVBPTLRQLAICS-VUNQQRPYSA-N 1 2 363.527 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ncc(C)s2)C[C@H]1C ZINC001080589668 993196673 /nfs/dbraw/zinc/19/66/73/993196673.db2.gz FZVBPTLRQLAICS-VUNQQRPYSA-N 1 2 363.527 2.759 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3c(F)cccc3F)C[C@H]2C)nc1 ZINC001080808284 993368067 /nfs/dbraw/zinc/36/80/67/993368067.db2.gz RUPAWUPYZJBHGF-BFUOFWGJSA-N 1 2 355.388 2.591 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3c(F)cccc3F)C[C@H]2C)nc1 ZINC001080808284 993368072 /nfs/dbraw/zinc/36/80/72/993368072.db2.gz RUPAWUPYZJBHGF-BFUOFWGJSA-N 1 2 355.388 2.591 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)c(C)n1C ZINC001080914504 993472727 /nfs/dbraw/zinc/47/27/27/993472727.db2.gz FRVBDFWCLVAYNP-ZUOKHONESA-N 1 2 368.456 2.903 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)c(C)n1C ZINC001080914504 993472730 /nfs/dbraw/zinc/47/27/30/993472730.db2.gz FRVBDFWCLVAYNP-ZUOKHONESA-N 1 2 368.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1ccccc1C ZINC001081301632 993793170 /nfs/dbraw/zinc/79/31/70/993793170.db2.gz XYNODIMFIRSVJE-WOJBJXKFSA-N 1 2 367.424 2.635 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1ccccc1C ZINC001081301632 993793178 /nfs/dbraw/zinc/79/31/78/993793178.db2.gz XYNODIMFIRSVJE-WOJBJXKFSA-N 1 2 367.424 2.635 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)CC1CCCC1 ZINC001081306612 993794165 /nfs/dbraw/zinc/79/41/65/993794165.db2.gz VZPAETYJSFMGJZ-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)CC1CCCC1 ZINC001081306612 993794174 /nfs/dbraw/zinc/79/41/74/993794174.db2.gz VZPAETYJSFMGJZ-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cc(C)cs1 ZINC001081638720 993897645 /nfs/dbraw/zinc/89/76/45/993897645.db2.gz ZBVYBXZYFRHNTI-IAGOWNOFSA-N 1 2 355.463 2.557 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cc(C)cs1 ZINC001081638720 993897653 /nfs/dbraw/zinc/89/76/53/993897653.db2.gz ZBVYBXZYFRHNTI-IAGOWNOFSA-N 1 2 355.463 2.557 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[C@@H]1C=CCCC1 ZINC001081847027 994019192 /nfs/dbraw/zinc/01/91/92/994019192.db2.gz QRJAQSFINYRCCP-HMXCVIKNSA-N 1 2 370.468 2.739 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[C@@H]1C=CCCC1 ZINC001081847027 994019201 /nfs/dbraw/zinc/01/92/01/994019201.db2.gz QRJAQSFINYRCCP-HMXCVIKNSA-N 1 2 370.468 2.739 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C)c(F)c1 ZINC001081915778 994041233 /nfs/dbraw/zinc/04/12/33/994041233.db2.gz VHSUIIZPXZNTMQ-NHCUHLMSSA-N 1 2 366.436 2.615 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C)c(F)c1 ZINC001081915778 994041242 /nfs/dbraw/zinc/04/12/42/994041242.db2.gz VHSUIIZPXZNTMQ-NHCUHLMSSA-N 1 2 366.436 2.615 20 30 FFEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082524529 994821468 /nfs/dbraw/zinc/82/14/68/994821468.db2.gz ZQOLCIHGBBOTHQ-OWYVNGRQSA-N 1 2 361.314 2.534 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082524529 994821478 /nfs/dbraw/zinc/82/14/78/994821478.db2.gz ZQOLCIHGBBOTHQ-OWYVNGRQSA-N 1 2 361.314 2.534 20 30 FFEDLO C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cccc3n[nH]cc32)C[C@H]1C ZINC001082676533 995247326 /nfs/dbraw/zinc/24/73/26/995247326.db2.gz AUGAQYXIESTMJN-MEBBXXQBSA-N 1 2 363.259 2.522 20 30 FFEDLO C#CC[N@@H+](CCCCCn1c(C)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000812829387 995546664 /nfs/dbraw/zinc/54/66/64/995546664.db2.gz BEGPEVSPQXXCKI-GOSISDBHSA-N 1 2 373.522 2.637 20 30 FFEDLO C#CC[N@H+](CCCCCn1c(C)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000812829387 995546673 /nfs/dbraw/zinc/54/66/73/995546673.db2.gz BEGPEVSPQXXCKI-GOSISDBHSA-N 1 2 373.522 2.637 20 30 FFEDLO CCC(CC)C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001083006661 996024525 /nfs/dbraw/zinc/02/45/25/996024525.db2.gz RBOPMMFXQMFMRW-RBUKOAKNSA-N 1 2 359.445 2.545 20 30 FFEDLO CCC(CC)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001083006661 996024530 /nfs/dbraw/zinc/02/45/30/996024530.db2.gz RBOPMMFXQMFMRW-RBUKOAKNSA-N 1 2 359.445 2.545 20 30 FFEDLO CC(C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21)=C1CCCC1 ZINC001083045692 996044890 /nfs/dbraw/zinc/04/48/90/996044890.db2.gz SWCFTEGWWYIIFD-RBUKOAKNSA-N 1 2 371.506 2.922 20 30 FFEDLO CC(C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21)=C1CCCC1 ZINC001083045692 996044895 /nfs/dbraw/zinc/04/48/95/996044895.db2.gz SWCFTEGWWYIIFD-RBUKOAKNSA-N 1 2 371.506 2.922 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](C/C=C\Cl)C[C@@H]32)cc1 ZINC001083123828 996062704 /nfs/dbraw/zinc/06/27/04/996062704.db2.gz VRMQBCRVNVHNKO-IEVYTLJRSA-N 1 2 362.857 2.529 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](C/C=C\Cl)C[C@@H]32)cc1 ZINC001083123828 996062710 /nfs/dbraw/zinc/06/27/10/996062710.db2.gz VRMQBCRVNVHNKO-IEVYTLJRSA-N 1 2 362.857 2.529 20 30 FFEDLO Cc1ccoc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084190052 996322109 /nfs/dbraw/zinc/32/21/09/996322109.db2.gz OYCOAEIKEBNODC-SJLPKXTDSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1ccoc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084190052 996322112 /nfs/dbraw/zinc/32/21/12/996322112.db2.gz OYCOAEIKEBNODC-SJLPKXTDSA-N 1 2 353.397 2.945 20 30 FFEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3ncc(-c4ccccc4)o3)C[C@H]21 ZINC001084232941 996382385 /nfs/dbraw/zinc/38/23/85/996382385.db2.gz NKEZZZLWPJAQSP-DJIMGWMZSA-N 1 2 350.422 2.534 20 30 FFEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3ncc(-c4ccccc4)o3)C[C@H]21 ZINC001084232941 996382391 /nfs/dbraw/zinc/38/23/91/996382391.db2.gz NKEZZZLWPJAQSP-DJIMGWMZSA-N 1 2 350.422 2.534 20 30 FFEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(O)ccc4Cl)C[C@H]32)c[nH]1 ZINC001084293433 996397508 /nfs/dbraw/zinc/39/75/08/996397508.db2.gz HBPUPTVDPUCUCC-KZULUSFZSA-N 1 2 370.840 2.592 20 30 FFEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(O)ccc4Cl)C[C@H]32)c[nH]1 ZINC001084293433 996397513 /nfs/dbraw/zinc/39/75/13/996397513.db2.gz HBPUPTVDPUCUCC-KZULUSFZSA-N 1 2 370.840 2.592 20 30 FFEDLO CC[C@H](SC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084283633 996429390 /nfs/dbraw/zinc/42/93/90/996429390.db2.gz IDPZANGLAJIDOZ-NXHRZFHOSA-N 1 2 361.486 2.872 20 30 FFEDLO CC[C@H](SC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084283633 996429394 /nfs/dbraw/zinc/42/93/94/996429394.db2.gz IDPZANGLAJIDOZ-NXHRZFHOSA-N 1 2 361.486 2.872 20 30 FFEDLO CCOC1CC(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)C1 ZINC001084322376 996454386 /nfs/dbraw/zinc/45/43/86/996454386.db2.gz CAOYGZDAFOYBQN-PCQDHPLQSA-N 1 2 371.456 2.545 20 30 FFEDLO CCOC1CC(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)C1 ZINC001084322376 996454387 /nfs/dbraw/zinc/45/43/87/996454387.db2.gz CAOYGZDAFOYBQN-PCQDHPLQSA-N 1 2 371.456 2.545 20 30 FFEDLO CCCn1nccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084376908 996502561 /nfs/dbraw/zinc/50/25/61/996502561.db2.gz PWMBITJKXZHBJF-UYAOXDASSA-N 1 2 363.465 2.511 20 30 FFEDLO CCCn1nccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084376908 996502564 /nfs/dbraw/zinc/50/25/64/996502564.db2.gz PWMBITJKXZHBJF-UYAOXDASSA-N 1 2 363.465 2.511 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(N(C)C)cc3F)[C@@H]2C1 ZINC001084404675 996546642 /nfs/dbraw/zinc/54/66/42/996546642.db2.gz LQZKMKXCZCWNNM-CXAGYDPISA-N 1 2 351.853 2.791 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N(C)C)cc3F)[C@@H]2C1 ZINC001084404675 996546645 /nfs/dbraw/zinc/54/66/45/996546645.db2.gz LQZKMKXCZCWNNM-CXAGYDPISA-N 1 2 351.853 2.791 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnc(-n4cccc4)c3)[C@@H]2C1 ZINC001084431303 996585065 /nfs/dbraw/zinc/58/50/65/996585065.db2.gz VKJWTRNZRPAJBK-IAGOWNOFSA-N 1 2 356.857 2.771 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccnc(-n4cccc4)c3)[C@@H]2C1 ZINC001084431303 996585067 /nfs/dbraw/zinc/58/50/67/996585067.db2.gz VKJWTRNZRPAJBK-IAGOWNOFSA-N 1 2 356.857 2.771 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)cs1 ZINC001084605351 996703282 /nfs/dbraw/zinc/70/32/82/996703282.db2.gz LYQSAGAOBVRXIJ-SJLPKXTDSA-N 1 2 352.463 2.670 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)cs1 ZINC001084605351 996703286 /nfs/dbraw/zinc/70/32/86/996703286.db2.gz LYQSAGAOBVRXIJ-SJLPKXTDSA-N 1 2 352.463 2.670 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3)C[C@H]21 ZINC001084574737 996703543 /nfs/dbraw/zinc/70/35/43/996703543.db2.gz JQBQUUNXNSPTKR-JFIYKMOQSA-N 1 2 355.482 2.759 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3)C[C@H]21 ZINC001084574737 996703547 /nfs/dbraw/zinc/70/35/47/996703547.db2.gz JQBQUUNXNSPTKR-JFIYKMOQSA-N 1 2 355.482 2.759 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001090794936 997103319 /nfs/dbraw/zinc/10/33/19/997103319.db2.gz OEQSNEWXHJBKHH-DUXSXAKTSA-N 1 2 360.502 2.572 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2c(C)nn(Cc3ccccc3)c2C)CC1 ZINC000824867300 997113993 /nfs/dbraw/zinc/11/39/93/997113993.db2.gz MTWXCZOWICLDMV-UHFFFAOYSA-N 1 2 366.465 2.827 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2F)C[C@H]1NC(=O)CSCC#N ZINC001206089795 1032138906 /nfs/dbraw/zinc/13/89/06/1032138906.db2.gz GLKXHXSCQPBZHM-BXUZGUMPSA-N 1 2 355.866 2.672 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2F)C[C@H]1NC(=O)CSCC#N ZINC001206089795 1032138912 /nfs/dbraw/zinc/13/89/12/1032138912.db2.gz GLKXHXSCQPBZHM-BXUZGUMPSA-N 1 2 355.866 2.672 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1c[nH]c2cc(C)ccc12 ZINC001136970183 997166836 /nfs/dbraw/zinc/16/68/36/997166836.db2.gz JEXIBTZISCTEPH-IBGZPJMESA-N 1 2 351.454 2.907 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1c[nH]c2cc(C)ccc12 ZINC001136970183 997166843 /nfs/dbraw/zinc/16/68/43/997166843.db2.gz JEXIBTZISCTEPH-IBGZPJMESA-N 1 2 351.454 2.907 20 30 FFEDLO CCCc1nc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)co1 ZINC001084774113 997300616 /nfs/dbraw/zinc/30/06/16/997300616.db2.gz VLOFSFDGFVWEOH-UYAOXDASSA-N 1 2 363.461 2.825 20 30 FFEDLO CCCc1nc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)co1 ZINC001084774113 997300627 /nfs/dbraw/zinc/30/06/27/997300627.db2.gz VLOFSFDGFVWEOH-UYAOXDASSA-N 1 2 363.461 2.825 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)sc1C ZINC001084840093 997616037 /nfs/dbraw/zinc/61/60/37/997616037.db2.gz NLEZGQQYBYGHBG-RTBURBONSA-N 1 2 365.502 2.958 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)sc1C ZINC001084840093 997616044 /nfs/dbraw/zinc/61/60/44/997616044.db2.gz NLEZGQQYBYGHBG-RTBURBONSA-N 1 2 365.502 2.958 20 30 FFEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC001143926732 997813915 /nfs/dbraw/zinc/81/39/15/997813915.db2.gz PEUVDCJMMDKTBW-UHFFFAOYSA-N 1 2 356.253 2.706 20 30 FFEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC001143926732 997813924 /nfs/dbraw/zinc/81/39/24/997813924.db2.gz PEUVDCJMMDKTBW-UHFFFAOYSA-N 1 2 356.253 2.706 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H](C)CO1 ZINC000844390364 997851810 /nfs/dbraw/zinc/85/18/10/997851810.db2.gz GSZUUYQUWSVZMQ-NUEKZKHPSA-N 1 2 350.422 2.723 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H](C)CO1 ZINC000844390364 997851820 /nfs/dbraw/zinc/85/18/20/997851820.db2.gz GSZUUYQUWSVZMQ-NUEKZKHPSA-N 1 2 350.422 2.723 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)s3)[C@H]2C1 ZINC001084959081 998363402 /nfs/dbraw/zinc/36/34/02/998363402.db2.gz RJHLZZVISINLIA-WBVHZDCISA-N 1 2 371.510 2.571 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)s3)[C@H]2C1 ZINC001084959081 998363411 /nfs/dbraw/zinc/36/34/11/998363411.db2.gz RJHLZZVISINLIA-WBVHZDCISA-N 1 2 371.510 2.571 20 30 FFEDLO N#CCOc1ccc(CC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000732055515 998431546 /nfs/dbraw/zinc/43/15/46/998431546.db2.gz QCRZZAQXXQGCAT-UHFFFAOYSA-N 1 2 360.417 2.693 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3conc3C(F)(F)F)C[C@@H]21 ZINC001084990169 998580347 /nfs/dbraw/zinc/58/03/47/998580347.db2.gz DJKQFKXJQLKZSP-PWSUYJOCSA-N 1 2 363.767 2.982 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3conc3C(F)(F)F)C[C@@H]21 ZINC001084990169 998580355 /nfs/dbraw/zinc/58/03/55/998580355.db2.gz DJKQFKXJQLKZSP-PWSUYJOCSA-N 1 2 363.767 2.982 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(OC)o3)C[C@@H]21 ZINC001085061907 998811964 /nfs/dbraw/zinc/81/19/64/998811964.db2.gz ZAPLTZLRYDMBNI-OLZOCXBDSA-N 1 2 369.259 2.733 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(OC)o3)C[C@@H]21 ZINC001085061907 998811967 /nfs/dbraw/zinc/81/19/67/998811967.db2.gz ZAPLTZLRYDMBNI-OLZOCXBDSA-N 1 2 369.259 2.733 20 30 FFEDLO C[C@]1(C(=O)N2CC[C@H]3CC[N@H+](Cc4cc(F)ccc4C#N)[C@H]3C2)CCOC1 ZINC001085063809 998820333 /nfs/dbraw/zinc/82/03/33/998820333.db2.gz KLHJLXWEKDBBMB-JJXUHFIVSA-N 1 2 371.456 2.547 20 30 FFEDLO C[C@]1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cc(F)ccc4C#N)[C@H]3C2)CCOC1 ZINC001085063809 998820337 /nfs/dbraw/zinc/82/03/37/998820337.db2.gz KLHJLXWEKDBBMB-JJXUHFIVSA-N 1 2 371.456 2.547 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1c[nH+]c2ccc(C)cn12 ZINC001137305932 1016255906 /nfs/dbraw/zinc/25/59/06/1016255906.db2.gz AWJPVTZPCUGFKB-GOSISDBHSA-N 1 2 366.469 2.556 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C/C(Cl)=C/Cl)[C@H]3C2)cn1 ZINC001085078149 998862630 /nfs/dbraw/zinc/86/26/30/998862630.db2.gz DWSDBPUMNLBXML-IKQGRDNBSA-N 1 2 364.276 2.918 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C/C(Cl)=C/Cl)[C@H]3C2)cn1 ZINC001085078149 998862636 /nfs/dbraw/zinc/86/26/36/998862636.db2.gz DWSDBPUMNLBXML-IKQGRDNBSA-N 1 2 364.276 2.918 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000733306495 998954402 /nfs/dbraw/zinc/95/44/02/998954402.db2.gz KHJKJFOAGUPSJZ-ZDUSSCGKSA-N 1 2 355.394 2.562 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000734167668 999218752 /nfs/dbraw/zinc/21/87/52/999218752.db2.gz ZDFDVKRPCLVSRP-UHFFFAOYSA-N 1 2 360.417 2.884 20 30 FFEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001085604515 999592879 /nfs/dbraw/zinc/59/28/79/999592879.db2.gz JUPKOJAYHMHQKJ-ZYSHUDEJSA-N 1 2 366.490 2.851 20 30 FFEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001085604515 999592884 /nfs/dbraw/zinc/59/28/84/999592884.db2.gz JUPKOJAYHMHQKJ-ZYSHUDEJSA-N 1 2 366.490 2.851 20 30 FFEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001085718476 999613529 /nfs/dbraw/zinc/61/35/29/999613529.db2.gz SHVCEJKMTDBYIE-FDFHNCONSA-N 1 2 366.505 2.634 20 30 FFEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001085718476 999613532 /nfs/dbraw/zinc/61/35/32/999613532.db2.gz SHVCEJKMTDBYIE-FDFHNCONSA-N 1 2 366.505 2.634 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001085825563 999642445 /nfs/dbraw/zinc/64/24/45/999642445.db2.gz OZNHHEZMBAGWJV-MNEFBYGVSA-N 1 2 360.885 2.649 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001085825563 999642447 /nfs/dbraw/zinc/64/24/47/999642447.db2.gz OZNHHEZMBAGWJV-MNEFBYGVSA-N 1 2 360.885 2.649 20 30 FFEDLO C[C@H](C(=O)OCCOc1ccccc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000740987141 999696254 /nfs/dbraw/zinc/69/62/54/999696254.db2.gz JTHXLVSYVWXVEU-MRXNPFEDSA-N 1 2 350.418 2.927 20 30 FFEDLO C[C@H](C(=O)OCCOc1ccccc1C#N)[N@H+]1CCc2ccccc2C1 ZINC000740987141 999696256 /nfs/dbraw/zinc/69/62/56/999696256.db2.gz JTHXLVSYVWXVEU-MRXNPFEDSA-N 1 2 350.418 2.927 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001049975961 1016368125 /nfs/dbraw/zinc/36/81/25/1016368125.db2.gz ASVQIJHMYQDSNR-KURKYZTESA-N 1 2 358.486 2.949 20 30 FFEDLO COC(=O)C=Cc1ccc(OCCO[NH+]=C(N)c2ccc(OC)cc2)cc1 ZINC000767091228 1000099577 /nfs/dbraw/zinc/09/95/77/1000099577.db2.gz OZDOHXNFFGVBPE-LFYBBSHMSA-N 1 2 370.405 2.597 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc3c1cccc3OC)C2 ZINC001095474905 1016385224 /nfs/dbraw/zinc/38/52/24/1016385224.db2.gz HPQHMGGHIYYGCW-XBFCOCLRSA-N 1 2 360.845 2.659 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc3c1cccc3OC)C2 ZINC001095474905 1016385234 /nfs/dbraw/zinc/38/52/34/1016385234.db2.gz HPQHMGGHIYYGCW-XBFCOCLRSA-N 1 2 360.845 2.659 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000767689175 1000137095 /nfs/dbraw/zinc/13/70/95/1000137095.db2.gz IGOGBCWENGGUEH-MRXNPFEDSA-N 1 2 360.454 2.603 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CCCC2)C3)c1 ZINC001108993262 1000145631 /nfs/dbraw/zinc/14/56/31/1000145631.db2.gz VTGZWCLSJRGASI-UXPWSPDFSA-N 1 2 371.456 2.878 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CCCC2)C3)c1 ZINC001108993262 1000145633 /nfs/dbraw/zinc/14/56/33/1000145633.db2.gz VTGZWCLSJRGASI-UXPWSPDFSA-N 1 2 371.456 2.878 20 30 FFEDLO CCO[C@H](CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109011725 1000150055 /nfs/dbraw/zinc/15/00/55/1000150055.db2.gz PZDCCMGVXAJIQO-XGXHKWSGSA-N 1 2 359.445 2.734 20 30 FFEDLO CCO[C@H](CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109011725 1000150056 /nfs/dbraw/zinc/15/00/56/1000150056.db2.gz PZDCCMGVXAJIQO-XGXHKWSGSA-N 1 2 359.445 2.734 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109027945 1000152530 /nfs/dbraw/zinc/15/25/30/1000152530.db2.gz CWVHPUGNIIZOEJ-PTLICHBZSA-N 1 2 371.456 2.734 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109027945 1000152532 /nfs/dbraw/zinc/15/25/32/1000152532.db2.gz CWVHPUGNIIZOEJ-PTLICHBZSA-N 1 2 371.456 2.734 20 30 FFEDLO CC[C@@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001109042372 1000154441 /nfs/dbraw/zinc/15/44/41/1000154441.db2.gz PQSRNSIFCWJTAW-YDZRNGNQSA-N 1 2 360.885 2.838 20 30 FFEDLO CC[C@@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001109042372 1000154442 /nfs/dbraw/zinc/15/44/42/1000154442.db2.gz PQSRNSIFCWJTAW-YDZRNGNQSA-N 1 2 360.885 2.838 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC001109055355 1000160170 /nfs/dbraw/zinc/16/01/70/1000160170.db2.gz ZFGRTQSAYJYNJC-FXECBMLZSA-N 1 2 371.481 2.710 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC001109055355 1000160171 /nfs/dbraw/zinc/16/01/71/1000160171.db2.gz ZFGRTQSAYJYNJC-FXECBMLZSA-N 1 2 371.481 2.710 20 30 FFEDLO Cc1ccc2sc(C[N@@H+]3[C@@H]4CC[C@H]3[C@@H](NC(=O)[C@H](C)C#N)C4)nc2c1 ZINC001109088447 1000161176 /nfs/dbraw/zinc/16/11/76/1000161176.db2.gz NBMRCYNLRBNSRQ-NYTXWWLZSA-N 1 2 354.479 2.986 20 30 FFEDLO Cc1ccc2sc(C[N@H+]3[C@@H]4CC[C@H]3[C@@H](NC(=O)[C@H](C)C#N)C4)nc2c1 ZINC001109088447 1000161178 /nfs/dbraw/zinc/16/11/78/1000161178.db2.gz NBMRCYNLRBNSRQ-NYTXWWLZSA-N 1 2 354.479 2.986 20 30 FFEDLO Cc1ccc2sc(C[N@@H+]3[C@@H]4CC[C@H]3[C@@H](NC(=O)[C@@H](C)C#N)C4)nc2c1 ZINC001109088444 1000161285 /nfs/dbraw/zinc/16/12/85/1000161285.db2.gz NBMRCYNLRBNSRQ-FQLMCAECSA-N 1 2 354.479 2.986 20 30 FFEDLO Cc1ccc2sc(C[N@H+]3[C@@H]4CC[C@H]3[C@@H](NC(=O)[C@@H](C)C#N)C4)nc2c1 ZINC001109088444 1000161286 /nfs/dbraw/zinc/16/12/86/1000161286.db2.gz NBMRCYNLRBNSRQ-FQLMCAECSA-N 1 2 354.479 2.986 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(F)cccc1Cl ZINC001109071109 1000161404 /nfs/dbraw/zinc/16/14/04/1000161404.db2.gz STEBTWWHVXXODC-DQYPLSBCSA-N 1 2 352.837 2.903 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(F)cccc1Cl ZINC001109071109 1000161405 /nfs/dbraw/zinc/16/14/05/1000161405.db2.gz STEBTWWHVXXODC-DQYPLSBCSA-N 1 2 352.837 2.903 20 30 FFEDLO Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)(C)C)C3)c(C(F)F)n1 ZINC001109261180 1000205478 /nfs/dbraw/zinc/20/54/78/1000205478.db2.gz WDEJHERRLHZPLA-ILXRZTDVSA-N 1 2 364.440 2.629 20 30 FFEDLO Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)(C)C)C3)c(C(F)F)n1 ZINC001109261180 1000205481 /nfs/dbraw/zinc/20/54/81/1000205481.db2.gz WDEJHERRLHZPLA-ILXRZTDVSA-N 1 2 364.440 2.629 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCOCC2CC2)C3)c1 ZINC001109275405 1000218147 /nfs/dbraw/zinc/21/81/47/1000218147.db2.gz DHWOCUVPIXZCEY-HOJAQTOUSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCOCC2CC2)C3)c1 ZINC001109275405 1000218153 /nfs/dbraw/zinc/21/81/53/1000218153.db2.gz DHWOCUVPIXZCEY-HOJAQTOUSA-N 1 2 371.456 2.736 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1)C1CC1 ZINC001109294191 1000240568 /nfs/dbraw/zinc/24/05/68/1000240568.db2.gz MZUWZFBUACBCEJ-BTHPGYMESA-N 1 2 371.456 2.734 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1)C1CC1 ZINC001109294191 1000240574 /nfs/dbraw/zinc/24/05/74/1000240574.db2.gz MZUWZFBUACBCEJ-BTHPGYMESA-N 1 2 371.456 2.734 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)[C@H]2C1 ZINC001091215139 1000279804 /nfs/dbraw/zinc/27/98/04/1000279804.db2.gz WVPRNAUQFSGTTL-BQFCYCMXSA-N 1 2 370.497 2.681 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1ccco1 ZINC001109343395 1000291626 /nfs/dbraw/zinc/29/16/26/1000291626.db2.gz WYQWBNKZMNDADF-NJAFHUGGSA-N 1 2 373.497 2.562 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1ccco1 ZINC001109343395 1000291631 /nfs/dbraw/zinc/29/16/31/1000291631.db2.gz WYQWBNKZMNDADF-NJAFHUGGSA-N 1 2 373.497 2.562 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(CC)CC ZINC001109344783 1000304045 /nfs/dbraw/zinc/30/40/45/1000304045.db2.gz IOKPSMUSGQDWES-PMPSAXMXSA-N 1 2 369.937 2.791 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(CC)CC ZINC001109344783 1000304050 /nfs/dbraw/zinc/30/40/50/1000304050.db2.gz IOKPSMUSGQDWES-PMPSAXMXSA-N 1 2 369.937 2.791 20 30 FFEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000768708922 1000326237 /nfs/dbraw/zinc/32/62/37/1000326237.db2.gz NIQOLXFOIZDFST-HNNXBMFYSA-N 1 2 373.844 2.578 20 30 FFEDLO Cc1ccc(C#N)c(N[C@@H]2CCCC[C@H]2NC(=O)CCCn2cc[nH+]c2)n1 ZINC001091263944 1000354560 /nfs/dbraw/zinc/35/45/60/1000354560.db2.gz KJNRPUMANAAVQR-QZTJIDSGSA-N 1 2 366.469 2.778 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(C(C)=O)CC2)cc1 ZINC000846962298 1000501043 /nfs/dbraw/zinc/50/10/43/1000501043.db2.gz RRUFOZMXORXKTH-UHFFFAOYSA-N 1 2 357.454 2.633 20 30 FFEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000846985791 1000504847 /nfs/dbraw/zinc/50/48/47/1000504847.db2.gz HHAXMCJXFGKNQF-HUUCEWRRSA-N 1 2 368.437 2.818 20 30 FFEDLO C#C[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)C1 ZINC000847033912 1000525658 /nfs/dbraw/zinc/52/56/58/1000525658.db2.gz QKHAYNDFYUTPIV-RDJZCZTQSA-N 1 2 351.406 2.896 20 30 FFEDLO C#C[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)C1 ZINC000847033912 1000525663 /nfs/dbraw/zinc/52/56/63/1000525663.db2.gz QKHAYNDFYUTPIV-RDJZCZTQSA-N 1 2 351.406 2.896 20 30 FFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000769962968 1000636629 /nfs/dbraw/zinc/63/66/29/1000636629.db2.gz MTQPJHNGKPZFJC-CYBMUJFWSA-N 1 2 352.413 2.997 20 30 FFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000769962968 1000636631 /nfs/dbraw/zinc/63/66/31/1000636631.db2.gz MTQPJHNGKPZFJC-CYBMUJFWSA-N 1 2 352.413 2.997 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001109563577 1000647799 /nfs/dbraw/zinc/64/77/99/1000647799.db2.gz ZPETUUSVBMHCGN-DOADOZAASA-N 1 2 361.461 2.671 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001109563577 1000647800 /nfs/dbraw/zinc/64/78/00/1000647800.db2.gz ZPETUUSVBMHCGN-DOADOZAASA-N 1 2 361.461 2.671 20 30 FFEDLO C[S@](=O)c1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc1 ZINC001171276574 1000663190 /nfs/dbraw/zinc/66/31/90/1000663190.db2.gz BPFUQLUOGMPHIR-VWLOTQADSA-N 1 2 354.479 2.789 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1 ZINC001109590785 1000686587 /nfs/dbraw/zinc/68/65/87/1000686587.db2.gz AZYVYRKPDQMWSG-QYZOEREBSA-N 1 2 369.509 2.627 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1 ZINC001109590785 1000686591 /nfs/dbraw/zinc/68/65/91/1000686591.db2.gz AZYVYRKPDQMWSG-QYZOEREBSA-N 1 2 369.509 2.627 20 30 FFEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCC1 ZINC001109603163 1000698393 /nfs/dbraw/zinc/69/83/93/1000698393.db2.gz JVWLOGKWDQZNPS-AABGKKOBSA-N 1 2 373.541 2.741 20 30 FFEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCC1 ZINC001109603163 1000698396 /nfs/dbraw/zinc/69/83/96/1000698396.db2.gz JVWLOGKWDQZNPS-AABGKKOBSA-N 1 2 373.541 2.741 20 30 FFEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(OC)ns1 ZINC001109604255 1000713207 /nfs/dbraw/zinc/71/32/07/1000713207.db2.gz AGBUNWAOMZHQJH-PVAVHDDUSA-N 1 2 361.511 2.957 20 30 FFEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(OC)ns1 ZINC001109604255 1000713209 /nfs/dbraw/zinc/71/32/09/1000713209.db2.gz AGBUNWAOMZHQJH-PVAVHDDUSA-N 1 2 361.511 2.957 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)Nc1ccccc1 ZINC001109605849 1000715412 /nfs/dbraw/zinc/71/54/12/1000715412.db2.gz URUYRZFMWRANIA-BGTYHANMSA-N 1 2 355.482 2.947 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)Nc1ccccc1 ZINC001109605849 1000715416 /nfs/dbraw/zinc/71/54/16/1000715416.db2.gz URUYRZFMWRANIA-BGTYHANMSA-N 1 2 355.482 2.947 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1ccco1 ZINC001109634607 1000736470 /nfs/dbraw/zinc/73/64/70/1000736470.db2.gz ROXMIWQDWNVJJA-FPAYPSAMSA-N 1 2 373.497 2.562 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1ccco1 ZINC001109634607 1000736478 /nfs/dbraw/zinc/73/64/78/1000736478.db2.gz ROXMIWQDWNVJJA-FPAYPSAMSA-N 1 2 373.497 2.562 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001109657481 1000795953 /nfs/dbraw/zinc/79/59/53/1000795953.db2.gz QYTXUNNSWNFDHQ-QYZOEREBSA-N 1 2 355.482 2.727 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001109657481 1000795962 /nfs/dbraw/zinc/79/59/62/1000795962.db2.gz QYTXUNNSWNFDHQ-QYZOEREBSA-N 1 2 355.482 2.727 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)CCC)CCC1 ZINC001109680338 1000833870 /nfs/dbraw/zinc/83/38/70/1000833870.db2.gz DOAUYFVBUHYTHR-MHORFTMASA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)CCC)CCC1 ZINC001109680338 1000833875 /nfs/dbraw/zinc/83/38/75/1000833875.db2.gz DOAUYFVBUHYTHR-MHORFTMASA-N 1 2 361.530 2.759 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCC1 ZINC001109682143 1000835998 /nfs/dbraw/zinc/83/59/98/1000835998.db2.gz VKDLVGVUEGHAIW-OEMYIYORSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCC1 ZINC001109682143 1000836004 /nfs/dbraw/zinc/83/60/04/1000836004.db2.gz VKDLVGVUEGHAIW-OEMYIYORSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1 ZINC001109682076 1000836073 /nfs/dbraw/zinc/83/60/73/1000836073.db2.gz SMEXIBZZMHSKCE-GHDARCQNSA-N 1 2 369.509 2.627 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1 ZINC001109682076 1000836078 /nfs/dbraw/zinc/83/60/78/1000836078.db2.gz SMEXIBZZMHSKCE-GHDARCQNSA-N 1 2 369.509 2.627 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001091627212 1000871243 /nfs/dbraw/zinc/87/12/43/1000871243.db2.gz WDNWQRQXQYGEII-IXDOHACOSA-N 1 2 371.529 2.764 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001091627212 1000871250 /nfs/dbraw/zinc/87/12/50/1000871250.db2.gz WDNWQRQXQYGEII-IXDOHACOSA-N 1 2 371.529 2.764 20 30 FFEDLO Cc1ccc(C#N)c(N[C@@H]2CC[C@H](CNC(=O)C[C@H](C)n3cc[nH+]c3)C2)n1 ZINC001091643593 1000936859 /nfs/dbraw/zinc/93/68/59/1000936859.db2.gz MAJVBZVUJJBTDJ-XYJFISCASA-N 1 2 366.469 2.806 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC1CCCCC1)C2 ZINC001109792896 1001008273 /nfs/dbraw/zinc/00/82/73/1001008273.db2.gz MUTMEFIJMDDPDO-YSHGAJCASA-N 1 2 361.530 2.617 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC1CCCCC1)C2 ZINC001109792896 1001008281 /nfs/dbraw/zinc/00/82/81/1001008281.db2.gz MUTMEFIJMDDPDO-YSHGAJCASA-N 1 2 361.530 2.617 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)CC1CCCC1)C2 ZINC001109792763 1001008561 /nfs/dbraw/zinc/00/85/61/1001008561.db2.gz HRDWHVLUINGPFP-RDGPPVDQSA-N 1 2 361.530 2.617 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)CC1CCCC1)C2 ZINC001109792763 1001008564 /nfs/dbraw/zinc/00/85/64/1001008564.db2.gz HRDWHVLUINGPFP-RDGPPVDQSA-N 1 2 361.530 2.617 20 30 FFEDLO C[C@]12CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[N@H+](CCC(F)(F)F)C2 ZINC001091691270 1001062728 /nfs/dbraw/zinc/06/27/28/1001062728.db2.gz QIABMGMYPFRRCK-KKZNHRDASA-N 1 2 350.278 2.620 20 30 FFEDLO C[C@]12CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[N@@H+](CCC(F)(F)F)C2 ZINC001091691270 1001062734 /nfs/dbraw/zinc/06/27/34/1001062734.db2.gz QIABMGMYPFRRCK-KKZNHRDASA-N 1 2 350.278 2.620 20 30 FFEDLO C[C@]12CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C[N@H+](CCC(F)(F)F)C2 ZINC001091691270 1001062740 /nfs/dbraw/zinc/06/27/40/1001062740.db2.gz QIABMGMYPFRRCK-KKZNHRDASA-N 1 2 350.278 2.620 20 30 FFEDLO C[C@]12CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C[N@@H+](CCC(F)(F)F)C2 ZINC001091691270 1001062744 /nfs/dbraw/zinc/06/27/44/1001062744.db2.gz QIABMGMYPFRRCK-KKZNHRDASA-N 1 2 350.278 2.620 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(CC)no3)C[C@@]2(C)C1 ZINC001091702041 1001092854 /nfs/dbraw/zinc/09/28/54/1001092854.db2.gz OLKJDNAHNPWZQW-ACJLOTCBSA-N 1 2 366.893 2.691 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nc(CC)no3)C[C@@]2(C)C1 ZINC001091702041 1001092862 /nfs/dbraw/zinc/09/28/62/1001092862.db2.gz OLKJDNAHNPWZQW-ACJLOTCBSA-N 1 2 366.893 2.691 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OCCOC)cc1)C2 ZINC001109937520 1001188437 /nfs/dbraw/zinc/18/84/37/1001188437.db2.gz BRBIETUIXSNGSW-NJAFHUGGSA-N 1 2 364.873 2.799 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OCCOC)cc1)C2 ZINC001109937520 1001188442 /nfs/dbraw/zinc/18/84/42/1001188442.db2.gz BRBIETUIXSNGSW-NJAFHUGGSA-N 1 2 364.873 2.799 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001109985702 1001245142 /nfs/dbraw/zinc/24/51/42/1001245142.db2.gz POMZQOPOKNXLRE-ZACQAIPSSA-N 1 2 356.470 2.560 20 30 FFEDLO CC[C@@]1(C)C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000785494724 1001444867 /nfs/dbraw/zinc/44/48/67/1001444867.db2.gz HWKXRXQHJNWGSB-QRWLVFNGSA-N 1 2 350.422 2.725 20 30 FFEDLO CC[C@@]1(C)C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000785494724 1001444869 /nfs/dbraw/zinc/44/48/69/1001444869.db2.gz HWKXRXQHJNWGSB-QRWLVFNGSA-N 1 2 350.422 2.725 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)s3)C[C@@]2(C)C1 ZINC001091918358 1002068863 /nfs/dbraw/zinc/06/88/63/1002068863.db2.gz KILJYMNYXRAALY-KUHUBIRLSA-N 1 2 360.527 2.908 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)s3)C[C@@]2(C)C1 ZINC001091918358 1002068873 /nfs/dbraw/zinc/06/88/73/1002068873.db2.gz KILJYMNYXRAALY-KUHUBIRLSA-N 1 2 360.527 2.908 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3csc(COC)n3)C[C@@]2(C)C1 ZINC001091917620 1002069226 /nfs/dbraw/zinc/06/92/26/1002069226.db2.gz ZMIIIEVGARVMMS-KUHUBIRLSA-N 1 2 363.527 2.782 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3csc(COC)n3)C[C@@]2(C)C1 ZINC001091917620 1002069235 /nfs/dbraw/zinc/06/92/35/1002069235.db2.gz ZMIIIEVGARVMMS-KUHUBIRLSA-N 1 2 363.527 2.782 20 30 FFEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CNc1cccc(F)c1C#N ZINC001054762233 1016564340 /nfs/dbraw/zinc/56/43/40/1016564340.db2.gz KYLMMQVJVIZKCE-ZIAGYGMSSA-N 1 2 355.417 2.560 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)COc2ccc(OCc3ccccc3)cc2)CC1 ZINC001183594233 1002323214 /nfs/dbraw/zinc/32/32/14/1002323214.db2.gz XWBGCDWKXLPTSQ-UHFFFAOYSA-N 1 2 366.461 2.975 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CCO[C@H]2C1 ZINC001183828806 1002402130 /nfs/dbraw/zinc/40/21/30/1002402130.db2.gz MXATZWBLIWWCEL-UXPWSPDFSA-N 1 2 353.466 2.550 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CCO[C@H]2C1 ZINC001183828806 1002402139 /nfs/dbraw/zinc/40/21/39/1002402139.db2.gz MXATZWBLIWWCEL-UXPWSPDFSA-N 1 2 353.466 2.550 20 30 FFEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC001183850051 1002411166 /nfs/dbraw/zinc/41/11/66/1002411166.db2.gz QZFDPIHJANJTGD-CVEARBPZSA-N 1 2 371.497 2.786 20 30 FFEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC001183850051 1002411173 /nfs/dbraw/zinc/41/11/73/1002411173.db2.gz QZFDPIHJANJTGD-CVEARBPZSA-N 1 2 371.497 2.786 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@@]2(C)C1 ZINC001092285646 1002691191 /nfs/dbraw/zinc/69/11/91/1002691191.db2.gz OIVBABGSRUVRKK-UTKZUKDTSA-N 1 2 354.498 2.997 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000791545597 1002735441 /nfs/dbraw/zinc/73/54/41/1002735441.db2.gz HHCAECHBEPTJBZ-LJQANCHMSA-N 1 2 355.401 2.743 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)s1 ZINC001110366029 1003012762 /nfs/dbraw/zinc/01/27/62/1003012762.db2.gz HAZJPKKOJLWTJM-DZUCGIPZSA-N 1 2 363.527 2.963 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)s1 ZINC001110366029 1003012771 /nfs/dbraw/zinc/01/27/71/1003012771.db2.gz HAZJPKKOJLWTJM-DZUCGIPZSA-N 1 2 363.527 2.963 20 30 FFEDLO CC[C@@H](C)N1C[C@@]2(F)C[N@H+](CCCc3cccc(C#N)c3)C[C@@]2(F)C1=O ZINC001276281083 1016709622 /nfs/dbraw/zinc/70/96/22/1016709622.db2.gz WJYWMMHHULTGGR-UIAACRFSSA-N 1 2 361.436 2.864 20 30 FFEDLO CC[C@@H](C)N1C[C@@]2(F)C[N@@H+](CCCc3cccc(C#N)c3)C[C@@]2(F)C1=O ZINC001276281083 1016709636 /nfs/dbraw/zinc/70/96/36/1016709636.db2.gz WJYWMMHHULTGGR-UIAACRFSSA-N 1 2 361.436 2.864 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccncc1F)C2 ZINC001096908009 1016719391 /nfs/dbraw/zinc/71/93/91/1016719391.db2.gz BWYHMKWMWWRWLR-LZQZEXGQSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccncc1F)C2 ZINC001096908009 1016719403 /nfs/dbraw/zinc/71/94/03/1016719403.db2.gz BWYHMKWMWWRWLR-LZQZEXGQSA-N 1 2 350.397 2.628 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+](Cc2noc(CCC)n2)C[C@H]1C ZINC001092677978 1003407380 /nfs/dbraw/zinc/40/73/80/1003407380.db2.gz SXOIQVHBUTYMPT-HZPDHXFCSA-N 1 2 371.485 2.508 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+](Cc2noc(CCC)n2)C[C@H]1C ZINC001092677978 1003407386 /nfs/dbraw/zinc/40/73/86/1003407386.db2.gz SXOIQVHBUTYMPT-HZPDHXFCSA-N 1 2 371.485 2.508 20 30 FFEDLO C[C@H](c1c(F)cccc1F)[N@@H+]1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 ZINC001186938987 1003479927 /nfs/dbraw/zinc/47/99/27/1003479927.db2.gz ATYPOKSDJMRVHU-DVOMOZLQSA-N 1 2 365.449 2.815 20 30 FFEDLO C[C@H](c1c(F)cccc1F)[N@H+]1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 ZINC001186938987 1003479935 /nfs/dbraw/zinc/47/99/35/1003479935.db2.gz ATYPOKSDJMRVHU-DVOMOZLQSA-N 1 2 365.449 2.815 20 30 FFEDLO N#CCSCC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(F)c3Cl)C[C@H]21 ZINC001186917567 1003489623 /nfs/dbraw/zinc/48/96/23/1003489623.db2.gz UJZRTQRWVXBGLT-SWLSCSKDSA-N 1 2 367.877 2.769 20 30 FFEDLO N#CCSCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(F)c3Cl)C[C@H]21 ZINC001186917567 1003489627 /nfs/dbraw/zinc/48/96/27/1003489627.db2.gz UJZRTQRWVXBGLT-SWLSCSKDSA-N 1 2 367.877 2.769 20 30 FFEDLO CCCCCCC[C@@H](C)CNC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000793787482 1003494127 /nfs/dbraw/zinc/49/41/27/1003494127.db2.gz BLUQHTAIWIDDJL-SJORKVTESA-N 1 2 362.518 2.849 20 30 FFEDLO CCOCCCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187009833 1003512699 /nfs/dbraw/zinc/51/26/99/1003512699.db2.gz MWTMYYQAFWSECX-QFBILLFUSA-N 1 2 359.445 2.547 20 30 FFEDLO CCOCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187009833 1003512707 /nfs/dbraw/zinc/51/27/07/1003512707.db2.gz MWTMYYQAFWSECX-QFBILLFUSA-N 1 2 359.445 2.547 20 30 FFEDLO COCCCC(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001187038567 1003529874 /nfs/dbraw/zinc/52/98/74/1003529874.db2.gz SUNHNDFDPRALOI-PKOBYXMFSA-N 1 2 360.885 2.651 20 30 FFEDLO COCCCC(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001187038567 1003529879 /nfs/dbraw/zinc/52/98/79/1003529879.db2.gz SUNHNDFDPRALOI-PKOBYXMFSA-N 1 2 360.885 2.651 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)co1 ZINC001096975364 1016794005 /nfs/dbraw/zinc/79/40/05/1016794005.db2.gz WUJQNJZOYYVXFT-NUJGCVRESA-N 1 2 350.422 2.644 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)co1 ZINC001096975364 1016794015 /nfs/dbraw/zinc/79/40/15/1016794015.db2.gz WUJQNJZOYYVXFT-NUJGCVRESA-N 1 2 350.422 2.644 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(F)F)nc1C)C2 ZINC001095582463 1016796211 /nfs/dbraw/zinc/79/62/11/1016796211.db2.gz RZOFEVGRXMVEBT-XBFCOCLRSA-N 1 2 358.820 2.544 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(F)F)nc1C)C2 ZINC001095582463 1016796225 /nfs/dbraw/zinc/79/62/25/1016796225.db2.gz RZOFEVGRXMVEBT-XBFCOCLRSA-N 1 2 358.820 2.544 20 30 FFEDLO C=C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C)n(C)n1)c1ccccc1 ZINC001110136838 1003602082 /nfs/dbraw/zinc/60/20/82/1003602082.db2.gz QXEBJSPHZKZBFQ-ANULTFPQSA-N 1 2 364.493 2.920 20 30 FFEDLO C=C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C)n(C)n1)c1ccccc1 ZINC001110136838 1003602093 /nfs/dbraw/zinc/60/20/93/1003602093.db2.gz QXEBJSPHZKZBFQ-ANULTFPQSA-N 1 2 364.493 2.920 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cncc(F)c2)C3)c1 ZINC001096945688 1016804262 /nfs/dbraw/zinc/80/42/62/1016804262.db2.gz CBASGPJEFZGUJU-QRQLOZEOSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cncc(F)c2)C3)c1 ZINC001096945688 1016804272 /nfs/dbraw/zinc/80/42/72/1016804272.db2.gz CBASGPJEFZGUJU-QRQLOZEOSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[C@H]2CCOC2)C3)c1 ZINC001110438236 1003873610 /nfs/dbraw/zinc/87/36/10/1003873610.db2.gz AYQHXBPYAMZTNV-GVXRKXQCSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[C@H]2CCOC2)C3)c1 ZINC001110438236 1003873620 /nfs/dbraw/zinc/87/36/20/1003873620.db2.gz AYQHXBPYAMZTNV-GVXRKXQCSA-N 1 2 371.456 2.736 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCN(c3ccccc3)C1)C2 ZINC001095602628 1016834239 /nfs/dbraw/zinc/83/42/39/1016834239.db2.gz VPFQZGJVNTXIEX-YSHGAJCASA-N 1 2 359.901 2.987 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCN(c3ccccc3)C1)C2 ZINC001095602628 1016834257 /nfs/dbraw/zinc/83/42/57/1016834257.db2.gz VPFQZGJVNTXIEX-YSHGAJCASA-N 1 2 359.901 2.987 20 30 FFEDLO CC(C)[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001191705420 1003919970 /nfs/dbraw/zinc/91/99/70/1003919970.db2.gz PVKPJYULMHAERZ-KFKAGJAMSA-N 1 2 362.901 2.535 20 30 FFEDLO CC(C)[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001191705420 1003919975 /nfs/dbraw/zinc/91/99/75/1003919975.db2.gz PVKPJYULMHAERZ-KFKAGJAMSA-N 1 2 362.901 2.535 20 30 FFEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001191686258 1003928642 /nfs/dbraw/zinc/92/86/42/1003928642.db2.gz FFLPCFMFOSYLLI-KFKAGJAMSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001191686258 1003928648 /nfs/dbraw/zinc/92/86/48/1003928648.db2.gz FFLPCFMFOSYLLI-KFKAGJAMSA-N 1 2 362.901 2.679 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)c2ccc(F)cc2F)C[C@H]1O ZINC001192329389 1004129693 /nfs/dbraw/zinc/12/96/93/1004129693.db2.gz XHDVYSMAFJBVBD-CEXWTWQISA-N 1 2 364.436 2.771 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)c2ccc(F)cc2F)C[C@H]1O ZINC001192329389 1004129695 /nfs/dbraw/zinc/12/96/95/1004129695.db2.gz XHDVYSMAFJBVBD-CEXWTWQISA-N 1 2 364.436 2.771 20 30 FFEDLO N#Cc1ccc2c(n1)CCCN2C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001130382819 1004144951 /nfs/dbraw/zinc/14/49/51/1004144951.db2.gz JQQKSGOBLVPFKV-UHFFFAOYSA-N 1 2 374.360 2.640 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nc3sccn31)C2 ZINC001095616740 1016861830 /nfs/dbraw/zinc/86/18/30/1016861830.db2.gz GZQMFIDDGDHMPY-AGIUHOORSA-N 1 2 350.875 2.792 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nc3sccn31)C2 ZINC001095616740 1016861844 /nfs/dbraw/zinc/86/18/44/1016861844.db2.gz GZQMFIDDGDHMPY-AGIUHOORSA-N 1 2 350.875 2.792 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)c2ncc(C)o2)C1 ZINC001130602561 1004306475 /nfs/dbraw/zinc/30/64/75/1004306475.db2.gz IKOBHGRRJFLYTG-SOLBZPMBSA-N 1 2 371.485 2.718 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cccc(CC)c1 ZINC001110497176 1004416838 /nfs/dbraw/zinc/41/68/38/1004416838.db2.gz OHPMAWHEECKMDT-AQNXPRMDSA-N 1 2 367.493 2.713 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cccc(CC)c1 ZINC001110497176 1004416841 /nfs/dbraw/zinc/41/68/41/1004416841.db2.gz OHPMAWHEECKMDT-AQNXPRMDSA-N 1 2 367.493 2.713 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(Cl)cc1 ZINC001110496832 1004417344 /nfs/dbraw/zinc/41/73/44/1004417344.db2.gz HOJNKMCEGPSABR-KURKYZTESA-N 1 2 373.884 2.804 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(Cl)cc1 ZINC001110496832 1004417350 /nfs/dbraw/zinc/41/73/50/1004417350.db2.gz HOJNKMCEGPSABR-KURKYZTESA-N 1 2 373.884 2.804 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(F)cccc1F ZINC001110500774 1004462495 /nfs/dbraw/zinc/46/24/95/1004462495.db2.gz LWYWECADRSAZSL-LCXNZCCVSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(F)cccc1F ZINC001110500774 1004462500 /nfs/dbraw/zinc/46/25/00/1004462500.db2.gz LWYWECADRSAZSL-LCXNZCCVSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000807746968 1004675520 /nfs/dbraw/zinc/67/55/20/1004675520.db2.gz RFTZPONYMZGDHP-OXQOHEQNSA-N 1 2 365.518 2.742 20 30 FFEDLO CCCCCCCCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131112391 1004723565 /nfs/dbraw/zinc/72/35/65/1004723565.db2.gz ATEAKTHIRWWGOR-QZTJIDSGSA-N 1 2 359.518 2.968 20 30 FFEDLO C[NH+]1CCN(c2ccc(C(=O)Nc3cccc(C#N)n3)cc2Cl)CC1 ZINC001194658800 1004787665 /nfs/dbraw/zinc/78/76/65/1004787665.db2.gz KQOWMVQXTIAXCV-UHFFFAOYSA-N 1 2 355.829 2.611 20 30 FFEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1OCC[C@H]1C)c1ccccc1OC ZINC001198908512 1004790173 /nfs/dbraw/zinc/79/01/73/1004790173.db2.gz HUCHZIHXIOWBQW-VMGRFDJRSA-N 1 2 352.862 2.620 20 30 FFEDLO CCCC[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001194841121 1004823385 /nfs/dbraw/zinc/82/33/85/1004823385.db2.gz ZURINVILEZCGBR-ZTFGCOKTSA-N 1 2 363.527 2.888 20 30 FFEDLO CCCC[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001194841121 1004823386 /nfs/dbraw/zinc/82/33/86/1004823386.db2.gz ZURINVILEZCGBR-ZTFGCOKTSA-N 1 2 363.527 2.888 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)C[C@H]1O ZINC001195531156 1004986308 /nfs/dbraw/zinc/98/63/08/1004986308.db2.gz CFXYUAKQPUCXHO-ZTFGCOKTSA-N 1 2 350.890 2.912 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)C[C@H]1O ZINC001195531156 1004986318 /nfs/dbraw/zinc/98/63/18/1004986318.db2.gz CFXYUAKQPUCXHO-ZTFGCOKTSA-N 1 2 350.890 2.912 20 30 FFEDLO COc1cccc(Cl)c1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110540249 1005005416 /nfs/dbraw/zinc/00/54/16/1005005416.db2.gz KFBAQXGMWRQOIO-OLMNPRSZSA-N 1 2 358.869 2.984 20 30 FFEDLO COc1cccc(Cl)c1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110540249 1005005418 /nfs/dbraw/zinc/00/54/18/1005005418.db2.gz KFBAQXGMWRQOIO-OLMNPRSZSA-N 1 2 358.869 2.984 20 30 FFEDLO Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)(C)C)C3)c(C(F)F)n1 ZINC001110544100 1005053041 /nfs/dbraw/zinc/05/30/41/1005053041.db2.gz WDEJHERRLHZPLA-KFWWJZLASA-N 1 2 364.440 2.629 20 30 FFEDLO Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)(C)C)C3)c(C(F)F)n1 ZINC001110544100 1005053043 /nfs/dbraw/zinc/05/30/43/1005053043.db2.gz WDEJHERRLHZPLA-KFWWJZLASA-N 1 2 364.440 2.629 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C(C)C)n3)C[C@H]2O)CC1 ZINC001195906409 1005071641 /nfs/dbraw/zinc/07/16/41/1005071641.db2.gz YYXPTCSWJNXFCT-RTBURBONSA-N 1 2 357.498 2.613 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C(C)C)n3)C[C@H]2O)CC1 ZINC001195906409 1005071647 /nfs/dbraw/zinc/07/16/47/1005071647.db2.gz YYXPTCSWJNXFCT-RTBURBONSA-N 1 2 357.498 2.613 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCOCC2CC2)C3)c1 ZINC001110556098 1005131182 /nfs/dbraw/zinc/13/11/82/1005131182.db2.gz DHWOCUVPIXZCEY-RLLQIKCJSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCOCC2CC2)C3)c1 ZINC001110556098 1005131185 /nfs/dbraw/zinc/13/11/85/1005131185.db2.gz DHWOCUVPIXZCEY-RLLQIKCJSA-N 1 2 371.456 2.736 20 30 FFEDLO C=C(C)CCC(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001489026271 1005397134 /nfs/dbraw/zinc/39/71/34/1005397134.db2.gz BQJSESWVIHOUBA-QZTJIDSGSA-N 1 2 370.497 2.545 20 30 FFEDLO CC(C)C[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1CCCNCC#N)n1cc[nH+]c1 ZINC001489064626 1005402986 /nfs/dbraw/zinc/40/29/86/1005402986.db2.gz HKDOQSUPDAUTQD-QRVBRYPASA-N 1 2 359.518 2.991 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(OC)nn3)[C@@H]2C)CCCC1 ZINC001489316189 1005462712 /nfs/dbraw/zinc/46/27/12/1005462712.db2.gz BPKVXCGIZVCKDC-WBVHZDCISA-N 1 2 358.486 2.701 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(OC)nn3)[C@@H]2C)CCCC1 ZINC001489316189 1005462713 /nfs/dbraw/zinc/46/27/13/1005462713.db2.gz BPKVXCGIZVCKDC-WBVHZDCISA-N 1 2 358.486 2.701 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)CCC ZINC001110601104 1005474331 /nfs/dbraw/zinc/47/43/31/1005474331.db2.gz JRLWKWVPIZZVOP-XZDPQHSOSA-N 1 2 369.937 2.791 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)CCC ZINC001110601104 1005474332 /nfs/dbraw/zinc/47/43/32/1005474332.db2.gz JRLWKWVPIZZVOP-XZDPQHSOSA-N 1 2 369.937 2.791 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1ccco1 ZINC001110602558 1005487482 /nfs/dbraw/zinc/48/74/82/1005487482.db2.gz WYQWBNKZMNDADF-NXHRZFHOSA-N 1 2 373.497 2.562 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1ccco1 ZINC001110602558 1005487483 /nfs/dbraw/zinc/48/74/83/1005487483.db2.gz WYQWBNKZMNDADF-NXHRZFHOSA-N 1 2 373.497 2.562 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001489693893 1005546368 /nfs/dbraw/zinc/54/63/68/1005546368.db2.gz ACMMDHTZRZILGF-IAGOWNOFSA-N 1 2 360.502 2.809 20 30 FFEDLO C=C(C)CCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001489960989 1005605146 /nfs/dbraw/zinc/60/51/46/1005605146.db2.gz QNXWOHLGJYQZSN-XMTFNYHQSA-N 1 2 372.513 2.623 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001490095770 1005658886 /nfs/dbraw/zinc/65/88/86/1005658886.db2.gz XPOAICXOGFMENB-NUJGCVRESA-N 1 2 368.481 2.964 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1Cl ZINC001110391522 1005960354 /nfs/dbraw/zinc/96/03/54/1005960354.db2.gz REDUUJNXHBDSIA-OIISXLGYSA-N 1 2 352.837 2.903 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1Cl ZINC001110391522 1005960356 /nfs/dbraw/zinc/96/03/56/1005960356.db2.gz REDUUJNXHBDSIA-OIISXLGYSA-N 1 2 352.837 2.903 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4ccc(F)cc4)no3)C[C@H]21 ZINC001187239473 1005971841 /nfs/dbraw/zinc/97/18/41/1005971841.db2.gz DEYNYSNJXSTQCE-DOTOQJQBSA-N 1 2 370.428 2.875 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4ccc(F)cc4)no3)C[C@H]21 ZINC001187239473 1005971842 /nfs/dbraw/zinc/97/18/42/1005971842.db2.gz DEYNYSNJXSTQCE-DOTOQJQBSA-N 1 2 370.428 2.875 20 30 FFEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@H](O)COCc2ccccc2F)C1 ZINC000852325618 1005977068 /nfs/dbraw/zinc/97/70/68/1005977068.db2.gz IOSNCNRUTLGGHA-GHTZIAJQSA-N 1 2 369.440 2.656 20 30 FFEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@H](O)COCc2ccccc2F)C1 ZINC000852325618 1005977077 /nfs/dbraw/zinc/97/70/77/1005977077.db2.gz IOSNCNRUTLGGHA-GHTZIAJQSA-N 1 2 369.440 2.656 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3c(C)cccc3CC)C[C@H]21 ZINC001187209735 1005979788 /nfs/dbraw/zinc/97/97/88/1005979788.db2.gz PGLXWYAZBGWGGE-RBUKOAKNSA-N 1 2 369.509 2.995 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3c(C)cccc3CC)C[C@H]21 ZINC001187209735 1005979801 /nfs/dbraw/zinc/97/98/01/1005979801.db2.gz PGLXWYAZBGWGGE-RBUKOAKNSA-N 1 2 369.509 2.995 20 30 FFEDLO CS[C@@H](C)CC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187561925 1006153478 /nfs/dbraw/zinc/15/34/78/1006153478.db2.gz UWEGNMOBVXRSQS-DHSIGJKJSA-N 1 2 361.486 2.872 20 30 FFEDLO CS[C@@H](C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187561925 1006153485 /nfs/dbraw/zinc/15/34/85/1006153485.db2.gz UWEGNMOBVXRSQS-DHSIGJKJSA-N 1 2 361.486 2.872 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nc(C4CC4)no3)C[C@H]21 ZINC001187605792 1006167331 /nfs/dbraw/zinc/16/73/31/1006167331.db2.gz UCCICYRCGPULPJ-HYVNUMGLSA-N 1 2 356.470 2.734 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nc(C4CC4)no3)C[C@H]21 ZINC001187605792 1006167340 /nfs/dbraw/zinc/16/73/40/1006167340.db2.gz UCCICYRCGPULPJ-HYVNUMGLSA-N 1 2 356.470 2.734 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4cccs4)no3)C[C@H]21 ZINC001187706061 1006207190 /nfs/dbraw/zinc/20/71/90/1006207190.db2.gz AULVPBRQAMMCKF-LSDHHAIUSA-N 1 2 370.478 2.634 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4cccs4)no3)C[C@H]21 ZINC001187706061 1006207201 /nfs/dbraw/zinc/20/72/01/1006207201.db2.gz AULVPBRQAMMCKF-LSDHHAIUSA-N 1 2 370.478 2.634 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1ccc([N+](=O)[O-])cc1C#N)C[NH2+]C2(C)C ZINC001170761031 1006415631 /nfs/dbraw/zinc/41/56/31/1006415631.db2.gz RBCPNJJBECUDDL-UHFFFAOYSA-N 1 2 370.369 2.749 20 30 FFEDLO COc1ccc(C[NH+]2CC(C)(c3nnc(C4CCOCC4)o3)C2)cc1C#N ZINC000854075574 1006662885 /nfs/dbraw/zinc/66/28/85/1006662885.db2.gz GHCDAIPGEVWVSG-UHFFFAOYSA-N 1 2 368.437 2.617 20 30 FFEDLO N#Cc1ccc(NC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CCCC2)nc1 ZINC001110684986 1006813479 /nfs/dbraw/zinc/81/34/79/1006813479.db2.gz DNQDQYHROLAIRR-BRWVUGGUSA-N 1 2 364.453 2.567 20 30 FFEDLO N#Cc1ccc(NC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CCCC2)nc1 ZINC001110684986 1006813490 /nfs/dbraw/zinc/81/34/90/1006813490.db2.gz DNQDQYHROLAIRR-BRWVUGGUSA-N 1 2 364.453 2.567 20 30 FFEDLO N#Cc1cccnc1NC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCC1 ZINC001110685565 1006814834 /nfs/dbraw/zinc/81/48/34/1006814834.db2.gz VZPLXMLTQLEFGN-ZACQAIPSSA-N 1 2 364.453 2.567 20 30 FFEDLO N#Cc1cccnc1NC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCC1 ZINC001110685565 1006814847 /nfs/dbraw/zinc/81/48/47/1006814847.db2.gz VZPLXMLTQLEFGN-ZACQAIPSSA-N 1 2 364.453 2.567 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]3C[N@@H+](Cc4nc(C)no4)C[C@H]32)CCCCC1 ZINC001189406219 1007067420 /nfs/dbraw/zinc/06/74/20/1007067420.db2.gz KKUPMYMAABHREK-DLBZAZTESA-N 1 2 358.486 2.937 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]3C[N@H+](Cc4nc(C)no4)C[C@H]32)CCCCC1 ZINC001189406219 1007067435 /nfs/dbraw/zinc/06/74/35/1007067435.db2.gz KKUPMYMAABHREK-DLBZAZTESA-N 1 2 358.486 2.937 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000884062407 1007198975 /nfs/dbraw/zinc/19/89/75/1007198975.db2.gz POKSIYZDFXRFFV-ROUUACIJSA-N 1 2 360.454 2.586 20 30 FFEDLO C=CCC1(O)CCN(c2nc(N3CCC(O)(CC=C)CC3)c(C)c[nH+]2)CC1 ZINC000884724266 1007521515 /nfs/dbraw/zinc/52/15/15/1007521515.db2.gz OCZAFMSWKVRYIF-UHFFFAOYSA-N 1 2 372.513 2.600 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@H](O)c3ccnn3C)CC2)c1C ZINC000856800916 1007980222 /nfs/dbraw/zinc/98/02/22/1007980222.db2.gz IPUDLGRIDTXRCT-NRFANRHFSA-N 1 2 370.497 2.653 20 30 FFEDLO C=CCCn1cc(C[N@H+]2C[C@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)nn1 ZINC000856813801 1007987453 /nfs/dbraw/zinc/98/74/53/1007987453.db2.gz OJGYWGXOJIVORJ-BEFAXECRSA-N 1 2 361.490 2.733 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2C[C@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)nn1 ZINC000856813801 1007987456 /nfs/dbraw/zinc/98/74/56/1007987456.db2.gz OJGYWGXOJIVORJ-BEFAXECRSA-N 1 2 361.490 2.733 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccnc(Cl)c2)C[C@H]1C ZINC001206478919 1032302759 /nfs/dbraw/zinc/30/27/59/1032302759.db2.gz HDUKRVVASLLJEJ-IJEWVQPXSA-N 1 2 351.878 2.653 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2)C[C@H]1C ZINC001206478919 1032302771 /nfs/dbraw/zinc/30/27/71/1032302771.db2.gz HDUKRVVASLLJEJ-IJEWVQPXSA-N 1 2 351.878 2.653 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001206489802 1032309176 /nfs/dbraw/zinc/30/91/76/1032309176.db2.gz AGCFBZDQJGJJEV-JFIYKMOQSA-N 1 2 353.470 2.731 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001206489802 1032309187 /nfs/dbraw/zinc/30/91/87/1032309187.db2.gz AGCFBZDQJGJJEV-JFIYKMOQSA-N 1 2 353.470 2.731 20 30 FFEDLO C#C[C@H](NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)c1ccc(Cl)cc1 ZINC000820565831 1008348983 /nfs/dbraw/zinc/34/89/83/1008348983.db2.gz WIAOMFGSZDAGDT-KRWDZBQOSA-N 1 2 369.856 2.645 20 30 FFEDLO Cc1nscc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095336037 1008619257 /nfs/dbraw/zinc/61/92/57/1008619257.db2.gz LIIQXPVQZCKBEZ-JLSDUUJJSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1nscc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095336037 1008619262 /nfs/dbraw/zinc/61/92/62/1008619262.db2.gz LIIQXPVQZCKBEZ-JLSDUUJJSA-N 1 2 370.453 2.998 20 30 FFEDLO NC(Cc1cccnc1)=[NH+]OCc1cccc(C(=O)NCc2ccco2)c1 ZINC000137647881 1008637780 /nfs/dbraw/zinc/63/77/80/1008637780.db2.gz AYIGQUQBADJGFJ-UHFFFAOYSA-N 1 2 364.405 2.636 20 30 FFEDLO COC(=O)c1ccc(C(=[NH2+])Nc2ccc3nnc(-c4cccnc4)n3c2)cc1 ZINC001170989022 1008653280 /nfs/dbraw/zinc/65/32/80/1008653280.db2.gz IIAIHBVHTKQSPM-UHFFFAOYSA-N 1 2 372.388 2.615 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1C ZINC000859884096 1008707948 /nfs/dbraw/zinc/70/79/48/1008707948.db2.gz DSURBOGQKNUBNT-UYXZNNOOSA-N 1 2 373.522 2.536 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1C ZINC000859884096 1008707956 /nfs/dbraw/zinc/70/79/56/1008707956.db2.gz DSURBOGQKNUBNT-UYXZNNOOSA-N 1 2 373.522 2.536 20 30 FFEDLO CC[NH+]1CCN(c2ccc(-c3noc([C@@H](N)CCCC#N)n3)cc2F)CC1 ZINC000822951079 1008833732 /nfs/dbraw/zinc/83/37/32/1008833732.db2.gz JTTLSTRSHWHHEE-INIZCTEOSA-N 1 2 372.448 2.711 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2csc(C3CCCC3)n2)C[C@H]1C ZINC001206586046 1032354870 /nfs/dbraw/zinc/35/48/70/1032354870.db2.gz LQXMGJMEJURZMT-RHSMWYFYSA-N 1 2 363.527 2.940 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2csc(C3CCCC3)n2)C[C@H]1C ZINC001206586046 1032354879 /nfs/dbraw/zinc/35/48/79/1032354879.db2.gz LQXMGJMEJURZMT-RHSMWYFYSA-N 1 2 363.527 2.940 20 30 FFEDLO N#Cc1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)c(OC(F)(F)F)c1 ZINC001178116146 1008863355 /nfs/dbraw/zinc/86/33/55/1008863355.db2.gz JTDBRBUASSMNKA-NSHDSACASA-N 1 2 350.300 2.854 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001090654961 1008939460 /nfs/dbraw/zinc/93/94/60/1008939460.db2.gz OECHDEUDWNRVPQ-UKPHBRMFSA-N 1 2 358.486 2.585 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1CN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001090669941 1008986779 /nfs/dbraw/zinc/98/67/79/1008986779.db2.gz JWOYSEKAWCZQPD-NVXWUHKLSA-N 1 2 360.502 2.867 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC001206620642 1032368978 /nfs/dbraw/zinc/36/89/78/1032368978.db2.gz WCSJWNDHRBRROH-ZIAGYGMSSA-N 1 2 351.516 2.580 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC001206620642 1032368988 /nfs/dbraw/zinc/36/89/88/1032368988.db2.gz WCSJWNDHRBRROH-ZIAGYGMSSA-N 1 2 351.516 2.580 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)CCOCC1 ZINC000826551859 1009075974 /nfs/dbraw/zinc/07/59/74/1009075974.db2.gz RIEFSTLLQGIEDT-HXUWFJFHSA-N 1 2 372.509 2.685 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)CCOCC1 ZINC000826551859 1009075989 /nfs/dbraw/zinc/07/59/89/1009075989.db2.gz RIEFSTLLQGIEDT-HXUWFJFHSA-N 1 2 372.509 2.685 20 30 FFEDLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1[nH]c(=S)[nH]c(=O)c1N=Cc1ccccc1 ZINC001178690435 1009085900 /nfs/dbraw/zinc/08/59/00/1009085900.db2.gz AHDDCGDIQKWDCT-MDBUFAAASA-N 1 2 371.466 2.644 20 30 FFEDLO C[N@H+]1CCCC[C@H]1C(=O)Nc1[nH]c(=S)[nH]c(=O)c1N=Cc1ccccc1 ZINC001178690435 1009085913 /nfs/dbraw/zinc/08/59/13/1009085913.db2.gz AHDDCGDIQKWDCT-MDBUFAAASA-N 1 2 371.466 2.644 20 30 FFEDLO CC(C)(C#N)c1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC001178987354 1009217527 /nfs/dbraw/zinc/21/75/27/1009217527.db2.gz ZEUUDXFEENHYSO-GOSISDBHSA-N 1 2 364.449 2.722 20 30 FFEDLO CC(C)(C#N)c1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC001178987354 1009217541 /nfs/dbraw/zinc/21/75/41/1009217541.db2.gz ZEUUDXFEENHYSO-GOSISDBHSA-N 1 2 364.449 2.722 20 30 FFEDLO Cc1cc(C#N)c(F)cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001178994523 1009218702 /nfs/dbraw/zinc/21/87/02/1009218702.db2.gz XUUFMRYPFDPOIH-LJQANCHMSA-N 1 2 353.397 2.845 20 30 FFEDLO Cc1cc(C#N)c(F)cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001178994523 1009218710 /nfs/dbraw/zinc/21/87/10/1009218710.db2.gz XUUFMRYPFDPOIH-LJQANCHMSA-N 1 2 353.397 2.845 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000823774587 1009223408 /nfs/dbraw/zinc/22/34/08/1009223408.db2.gz LEMCZZLCPAPTEV-JXFKEZNVSA-N 1 2 372.513 2.612 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cc(CC)[nH+]c(C)n2)CCC1 ZINC001092889109 1009348375 /nfs/dbraw/zinc/34/83/75/1009348375.db2.gz ZKETVPLXQDSPKR-SQNIBIBYSA-N 1 2 352.482 2.767 20 30 FFEDLO Cc1nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)C)C3)c2c([nH+]1)CCCC2 ZINC001092965264 1009516092 /nfs/dbraw/zinc/51/60/92/1009516092.db2.gz VFXQHLRHXGSLFB-LZQZEXGQSA-N 1 2 352.482 2.549 20 30 FFEDLO COc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1C#N ZINC000135155037 1009520851 /nfs/dbraw/zinc/52/08/51/1009520851.db2.gz XGNRDZFTZCJVPI-PMACEKPBSA-N 1 2 352.434 2.891 20 30 FFEDLO COc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1C#N ZINC000135155037 1009520866 /nfs/dbraw/zinc/52/08/66/1009520866.db2.gz XGNRDZFTZCJVPI-PMACEKPBSA-N 1 2 352.434 2.891 20 30 FFEDLO C#CCC1(NC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CCOCC1 ZINC000887749909 1009564047 /nfs/dbraw/zinc/56/40/47/1009564047.db2.gz VDURGFJJJBMOLB-QGZVFWFLSA-N 1 2 371.481 2.774 20 30 FFEDLO C#CCC1(NC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CCOCC1 ZINC000887749908 1009564113 /nfs/dbraw/zinc/56/41/13/1009564113.db2.gz VDURGFJJJBMOLB-KRWDZBQOSA-N 1 2 371.481 2.774 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)c3cccc(CC#N)c3)C2)cc1 ZINC000826603050 1009800615 /nfs/dbraw/zinc/80/06/15/1009800615.db2.gz BSELIPKNDIDZAW-OAQYLSRUSA-N 1 2 363.461 2.692 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)c3cccc(CC#N)c3)C2)cc1 ZINC000826603050 1009800628 /nfs/dbraw/zinc/80/06/28/1009800628.db2.gz BSELIPKNDIDZAW-OAQYLSRUSA-N 1 2 363.461 2.692 20 30 FFEDLO Cc1nc(N2C[C@@H]3CCC[C@]3(NC(=O)CC#Cc3ccccc3)C2)cc[nH+]1 ZINC001093086040 1009810073 /nfs/dbraw/zinc/81/00/73/1009810073.db2.gz BTUHAMAGPCNXRU-UGKGYDQZSA-N 1 2 360.461 2.702 20 30 FFEDLO Cc1cc(N2CCN(C(=O)Nc3ccc(C#N)cn3)CC2)nc(C(C)C)[nH+]1 ZINC000889219503 1009868275 /nfs/dbraw/zinc/86/82/75/1009868275.db2.gz PZFHJPZAGTUVRE-UHFFFAOYSA-N 1 2 365.441 2.529 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CN3C[C@@H](c4ccccc4)OC3=O)C2)nc1 ZINC000863268105 1010150965 /nfs/dbraw/zinc/15/09/65/1010150965.db2.gz MEWPHBRJJHIKLR-ROUUACIJSA-N 1 2 364.405 2.557 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CN3C[C@@H](c4ccccc4)OC3=O)C2)nc1 ZINC000863268105 1010150971 /nfs/dbraw/zinc/15/09/71/1010150971.db2.gz MEWPHBRJJHIKLR-ROUUACIJSA-N 1 2 364.405 2.557 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC2(C(F)(F)F)CC2)CC1=O ZINC000794714397 1010565120 /nfs/dbraw/zinc/56/51/20/1010565120.db2.gz POLJCBQOOCDMHU-UHFFFAOYSA-N 1 2 364.371 2.989 20 30 FFEDLO COCCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866384839 1010986751 /nfs/dbraw/zinc/98/67/51/1010986751.db2.gz DRADULYRYLOIGO-MAUKXSAKSA-N 1 2 370.449 2.543 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000866793791 1011051735 /nfs/dbraw/zinc/05/17/35/1011051735.db2.gz RMSJKJDLOFDIOI-UHFFFAOYSA-N 1 2 361.405 2.832 20 30 FFEDLO CN(C)c1ccccc1CN[NH+]=Cc1c(Cl)nc(N)nc1N1CCCC1 ZINC000794958744 1011058362 /nfs/dbraw/zinc/05/83/62/1011058362.db2.gz YGTKCBUFSYWPBC-UHFFFAOYSA-N 1 2 373.892 2.502 20 30 FFEDLO N#Cc1ccc2c(c1)C[C@@H](NC(=O)NCc1cc[nH+]c(N3CCCC3)c1)C2 ZINC000868023237 1011148303 /nfs/dbraw/zinc/14/83/03/1011148303.db2.gz MGHVRMPCCJZUSA-IBGZPJMESA-N 1 2 361.449 2.520 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(o1)c(F)ccc3C)C2 ZINC001110840855 1011205139 /nfs/dbraw/zinc/20/51/39/1011205139.db2.gz FMUQMSKMOFNYAX-OLMNPRSZSA-N 1 2 370.424 2.865 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(o1)c(F)ccc3C)C2 ZINC001110840855 1011205143 /nfs/dbraw/zinc/20/51/43/1011205143.db2.gz FMUQMSKMOFNYAX-OLMNPRSZSA-N 1 2 370.424 2.865 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(C)(C)CC2CC2)cc1C#N ZINC001274264964 1011345047 /nfs/dbraw/zinc/34/50/47/1011345047.db2.gz LMHHYCQTZNSOMD-HDICACEKSA-N 1 2 354.498 2.898 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(C)(C)CC2CC2)cc1C#N ZINC001274264964 1011345062 /nfs/dbraw/zinc/34/50/62/1011345062.db2.gz LMHHYCQTZNSOMD-HDICACEKSA-N 1 2 354.498 2.898 20 30 FFEDLO CCCCCCCC[N@@H+]1C[C@]2(F)CN([C@H](C)C(=O)OCC)C(=O)[C@]2(F)C1 ZINC001275115760 1011957570 /nfs/dbraw/zinc/95/75/70/1011957570.db2.gz ZNRNESCIFNSIKF-AYOQOUSVSA-N 1 2 374.472 2.873 20 30 FFEDLO CCCCCCCC[N@H+]1C[C@]2(F)CN([C@H](C)C(=O)OCC)C(=O)[C@]2(F)C1 ZINC001275115760 1011957579 /nfs/dbraw/zinc/95/75/79/1011957579.db2.gz ZNRNESCIFNSIKF-AYOQOUSVSA-N 1 2 374.472 2.873 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c(Cl)cccc1Cl)C2 ZINC001275207701 1012080624 /nfs/dbraw/zinc/08/06/24/1012080624.db2.gz YHKUZQSPEACUNC-GOSISDBHSA-N 1 2 367.276 2.678 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1c(Cl)cccc1Cl)C2 ZINC001275207701 1012080643 /nfs/dbraw/zinc/08/06/43/1012080643.db2.gz YHKUZQSPEACUNC-GOSISDBHSA-N 1 2 367.276 2.678 20 30 FFEDLO COc1cc2c(cn1)CC[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172994332 1012196986 /nfs/dbraw/zinc/19/69/86/1012196986.db2.gz SQOQQHLHGSLDLF-SJORKVTESA-N 1 2 372.469 2.740 20 30 FFEDLO COc1cc2c(cn1)CC[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172994332 1012197002 /nfs/dbraw/zinc/19/70/02/1012197002.db2.gz SQOQQHLHGSLDLF-SJORKVTESA-N 1 2 372.469 2.740 20 30 FFEDLO COc1cccc([C@H]2CN(C(=O)CSc3ccc(C#N)cc3)CC[NH2+]2)c1 ZINC000870150493 1012207551 /nfs/dbraw/zinc/20/75/51/1012207551.db2.gz VFRRZHHONSJHRM-LJQANCHMSA-N 1 2 367.474 2.832 20 30 FFEDLO C=CCCCCCC[N@H+]1C[C@]2(F)CN(C[C@H](C)C(=O)OC)C(=O)[C@]2(F)C1 ZINC001275329179 1012308887 /nfs/dbraw/zinc/30/88/87/1012308887.db2.gz ONZXIBJGORSBKU-ZYSHUDEJSA-N 1 2 372.456 2.506 20 30 FFEDLO C=CCCCCCC[N@@H+]1C[C@]2(F)CN(C[C@H](C)C(=O)OC)C(=O)[C@]2(F)C1 ZINC001275329179 1012308901 /nfs/dbraw/zinc/30/89/01/1012308901.db2.gz ONZXIBJGORSBKU-ZYSHUDEJSA-N 1 2 372.456 2.506 20 30 FFEDLO C=CCCCCCC[N@@H+]1C[C@]2(F)CN(Cc3cnoc3)C(=O)[C@]2(F)C1 ZINC001275329631 1012311712 /nfs/dbraw/zinc/31/17/12/1012311712.db2.gz BWBLOIYBDDYYRQ-ZWKOTPCHSA-N 1 2 353.413 2.886 20 30 FFEDLO C=CCCCCCC[N@H+]1C[C@]2(F)CN(Cc3cnoc3)C(=O)[C@]2(F)C1 ZINC001275329631 1012311735 /nfs/dbraw/zinc/31/17/35/1012311735.db2.gz BWBLOIYBDDYYRQ-ZWKOTPCHSA-N 1 2 353.413 2.886 20 30 FFEDLO C=C(CCC(=O)N1CC[C@H]2C[N@@H+](COCCOC)C[C@H]21)c1ccccc1 ZINC001275351963 1012348683 /nfs/dbraw/zinc/34/86/83/1012348683.db2.gz ZXNCUAOKAQMGRB-VQTJNVASSA-N 1 2 358.482 2.633 20 30 FFEDLO C=C(CCC(=O)N1CC[C@H]2C[N@H+](COCCOC)C[C@H]21)c1ccccc1 ZINC001275351963 1012348701 /nfs/dbraw/zinc/34/87/01/1012348701.db2.gz ZXNCUAOKAQMGRB-VQTJNVASSA-N 1 2 358.482 2.633 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)OCCc3ccccc3)[C@@H]2C1 ZINC001221988787 1032620057 /nfs/dbraw/zinc/62/00/57/1032620057.db2.gz FYVRNHOYJLYYNX-BHIYHBOVSA-N 1 2 362.901 2.919 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)OCCc3ccccc3)[C@@H]2C1 ZINC001221988787 1032620060 /nfs/dbraw/zinc/62/00/60/1032620060.db2.gz FYVRNHOYJLYYNX-BHIYHBOVSA-N 1 2 362.901 2.919 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cncc(Br)c1 ZINC001275356667 1012357852 /nfs/dbraw/zinc/35/78/52/1012357852.db2.gz DKCIDPWYVHDWCL-HZPDHXFCSA-N 1 2 364.287 2.986 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cncc(Br)c1 ZINC001275356667 1012357858 /nfs/dbraw/zinc/35/78/58/1012357858.db2.gz DKCIDPWYVHDWCL-HZPDHXFCSA-N 1 2 364.287 2.986 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cnc(Cl)cc1C)C2 ZINC001275405518 1012430383 /nfs/dbraw/zinc/43/03/83/1012430383.db2.gz LWOVTRUQBMCGJD-IBGZPJMESA-N 1 2 363.889 2.670 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cnc(Cl)cc1C)C2 ZINC001275405518 1012430395 /nfs/dbraw/zinc/43/03/95/1012430395.db2.gz LWOVTRUQBMCGJD-IBGZPJMESA-N 1 2 363.889 2.670 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc3c(cccc3Cl)[nH]1)C2 ZINC001275477449 1012511753 /nfs/dbraw/zinc/51/17/53/1012511753.db2.gz KFHDRCTXDQCAMR-HXUWFJFHSA-N 1 2 371.868 2.505 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc3c(cccc3Cl)[nH]1)C2 ZINC001275477449 1012511768 /nfs/dbraw/zinc/51/17/68/1012511768.db2.gz KFHDRCTXDQCAMR-HXUWFJFHSA-N 1 2 371.868 2.505 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)no1 ZINC001095147633 1012553021 /nfs/dbraw/zinc/55/30/21/1012553021.db2.gz JVAGBWQPSBMOCG-HFTRVMKXSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)no1 ZINC001095147633 1012553037 /nfs/dbraw/zinc/55/30/37/1012553037.db2.gz JVAGBWQPSBMOCG-HFTRVMKXSA-N 1 2 354.385 2.529 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1c[nH]c3c1cccc3Cl)C2 ZINC001275548394 1012605808 /nfs/dbraw/zinc/60/58/08/1012605808.db2.gz ZGFXFZGDAIPBPS-UHFFFAOYSA-N 1 2 359.857 2.811 20 30 FFEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)cnc1Cl)CC2 ZINC001275569004 1012628105 /nfs/dbraw/zinc/62/81/05/1012628105.db2.gz NMPSNAYTKXRYLZ-HNNXBMFYSA-N 1 2 364.852 2.896 20 30 FFEDLO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001275624109 1012719717 /nfs/dbraw/zinc/71/97/17/1012719717.db2.gz YQPCOCKQLWACOD-VLIAUNLRSA-N 1 2 357.429 2.632 20 30 FFEDLO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001275624109 1012719733 /nfs/dbraw/zinc/71/97/33/1012719733.db2.gz YQPCOCKQLWACOD-VLIAUNLRSA-N 1 2 357.429 2.632 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(OC)c(OC)c2Cl)C1=O ZINC001275688595 1012864293 /nfs/dbraw/zinc/86/42/93/1012864293.db2.gz RONMHRQMFUESIG-LJQANCHMSA-N 1 2 362.857 2.557 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(OC)c(OC)c2Cl)C1=O ZINC001275688595 1012864305 /nfs/dbraw/zinc/86/43/05/1012864305.db2.gz RONMHRQMFUESIG-LJQANCHMSA-N 1 2 362.857 2.557 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(Cl)ccc1Cl)C2 ZINC001275723940 1012927151 /nfs/dbraw/zinc/92/71/51/1012927151.db2.gz KGLXMWNYXNDFOK-GOSISDBHSA-N 1 2 367.276 2.678 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(Cl)ccc1Cl)C2 ZINC001275723940 1012927159 /nfs/dbraw/zinc/92/71/59/1012927159.db2.gz KGLXMWNYXNDFOK-GOSISDBHSA-N 1 2 367.276 2.678 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)o1 ZINC001095266913 1013022179 /nfs/dbraw/zinc/02/21/79/1013022179.db2.gz MHIQCKCXANHLEM-NJAFHUGGSA-N 1 2 368.412 2.838 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)o1 ZINC001095266913 1013022186 /nfs/dbraw/zinc/02/21/86/1013022186.db2.gz MHIQCKCXANHLEM-NJAFHUGGSA-N 1 2 368.412 2.838 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1COc3ccccc3O1)C2 ZINC001097147554 1017102444 /nfs/dbraw/zinc/10/24/44/1017102444.db2.gz DCQLFEUSZCTUQK-QXSJWSMHSA-N 1 2 362.857 2.691 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1COc3ccccc3O1)C2 ZINC001097147554 1017102452 /nfs/dbraw/zinc/10/24/52/1017102452.db2.gz DCQLFEUSZCTUQK-QXSJWSMHSA-N 1 2 362.857 2.691 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c(F)cncc2F)C3)s1 ZINC001097147426 1017103063 /nfs/dbraw/zinc/10/30/63/1017103063.db2.gz ZHXDDYGIHNTGPI-GTTSAUCSSA-N 1 2 374.416 2.828 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c(F)cncc2F)C3)s1 ZINC001097147426 1017103072 /nfs/dbraw/zinc/10/30/72/1017103072.db2.gz ZHXDDYGIHNTGPI-GTTSAUCSSA-N 1 2 374.416 2.828 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCC)c1ccccc1 ZINC001111443557 1017114219 /nfs/dbraw/zinc/11/42/19/1017114219.db2.gz OPVOZTZEUKYXMW-WCIQWLHISA-N 1 2 369.509 2.594 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCC)c1ccccc1 ZINC001111443557 1017114223 /nfs/dbraw/zinc/11/42/23/1017114223.db2.gz OPVOZTZEUKYXMW-WCIQWLHISA-N 1 2 369.509 2.594 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(F)cncc1F)C2 ZINC001097146911 1017137705 /nfs/dbraw/zinc/13/77/05/1017137705.db2.gz BEHGBEWAOTZXBW-OLMNPRSZSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(F)cncc1F)C2 ZINC001097146911 1017137714 /nfs/dbraw/zinc/13/77/14/1017137714.db2.gz BEHGBEWAOTZXBW-OLMNPRSZSA-N 1 2 368.387 2.767 20 30 FFEDLO CC(C)c1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001097411813 1017444811 /nfs/dbraw/zinc/44/48/11/1017444811.db2.gz HEMVIYHYQDNACS-RLLQIKCJSA-N 1 2 362.477 2.920 20 30 FFEDLO CC(C)c1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001097411813 1017444822 /nfs/dbraw/zinc/44/48/22/1017444822.db2.gz HEMVIYHYQDNACS-RLLQIKCJSA-N 1 2 362.477 2.920 20 30 FFEDLO C[NH+](C)Cc1csc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000924770621 1017470531 /nfs/dbraw/zinc/47/05/31/1017470531.db2.gz UVJBCUGBLLPPRR-UHFFFAOYSA-N 1 2 369.494 2.951 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)cs1 ZINC001097710792 1017827787 /nfs/dbraw/zinc/82/77/87/1017827787.db2.gz VZRIBROVHBHKPN-LMMKCTJWSA-N 1 2 369.465 2.977 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)cs1 ZINC001097710792 1017827802 /nfs/dbraw/zinc/82/78/02/1017827802.db2.gz VZRIBROVHBHKPN-LMMKCTJWSA-N 1 2 369.465 2.977 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001222069432 1032732946 /nfs/dbraw/zinc/73/29/46/1032732946.db2.gz PDCNESHHNDOOCX-PMUMKWKESA-N 1 2 350.409 2.589 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001222069432 1032732959 /nfs/dbraw/zinc/73/29/59/1032732959.db2.gz PDCNESHHNDOOCX-PMUMKWKESA-N 1 2 350.409 2.589 20 30 FFEDLO CCc1ncoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001097812309 1017975271 /nfs/dbraw/zinc/97/52/71/1017975271.db2.gz CYALEYDSOJEVOQ-QRQLOZEOSA-N 1 2 367.424 2.763 20 30 FFEDLO CCc1ncoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001097812309 1017975279 /nfs/dbraw/zinc/97/52/79/1017975279.db2.gz CYALEYDSOJEVOQ-QRQLOZEOSA-N 1 2 367.424 2.763 20 30 FFEDLO CCC(CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C#N)cn2)C1 ZINC001052723058 1018058870 /nfs/dbraw/zinc/05/88/70/1018058870.db2.gz OTYMDVQHVWFHCF-IAGOWNOFSA-N 1 2 366.469 2.529 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(C[NH+]([C@@H](CC)c3ccccc3)C2)C1 ZINC001053437486 1018302551 /nfs/dbraw/zinc/30/25/51/1018302551.db2.gz WIKIDLYMDVMPLT-AABGKKOBSA-N 1 2 370.493 2.642 20 30 FFEDLO CCC[C@@H](OCC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110922993 1018478347 /nfs/dbraw/zinc/47/83/47/1018478347.db2.gz GRSKCXLBCRMFNZ-YSTOQKLRSA-N 1 2 355.482 2.985 20 30 FFEDLO CCC[C@@H](OCC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110922993 1018478356 /nfs/dbraw/zinc/47/83/56/1018478356.db2.gz GRSKCXLBCRMFNZ-YSTOQKLRSA-N 1 2 355.482 2.985 20 30 FFEDLO CC(C)(C)/C=C\C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001217566372 1032784917 /nfs/dbraw/zinc/78/49/17/1032784917.db2.gz PIWVXURVDBWEPP-OXUXSNCKSA-N 1 2 371.456 2.711 20 30 FFEDLO CC(C)(C)/C=C\C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001217566372 1032784935 /nfs/dbraw/zinc/78/49/35/1032784935.db2.gz PIWVXURVDBWEPP-OXUXSNCKSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccns1 ZINC001096138404 1018789502 /nfs/dbraw/zinc/78/95/02/1018789502.db2.gz QUTHSXAOWPZUOH-QSGXVVIFSA-N 1 2 361.511 2.736 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccns1 ZINC001096138404 1018789515 /nfs/dbraw/zinc/78/95/15/1018789515.db2.gz QUTHSXAOWPZUOH-QSGXVVIFSA-N 1 2 361.511 2.736 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]nc1-c1cccnc1)C2 ZINC001098051660 1019199166 /nfs/dbraw/zinc/19/91/66/1019199166.db2.gz NZSWOBVAIJGLOL-BMFZPTHFSA-N 1 2 357.845 2.559 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]nc1-c1cccnc1)C2 ZINC001098051660 1019199173 /nfs/dbraw/zinc/19/91/73/1019199173.db2.gz NZSWOBVAIJGLOL-BMFZPTHFSA-N 1 2 357.845 2.559 20 30 FFEDLO N#Cc1cccnc1N[C@@H]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001047446162 1019248193 /nfs/dbraw/zinc/24/81/93/1019248193.db2.gz MTEMFYLKFRQABZ-GOEBONIOSA-N 1 2 360.421 2.612 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC=C)C3)c1 ZINC001110964618 1019333365 /nfs/dbraw/zinc/33/33/65/1019333365.db2.gz SUESINUDVBSTNO-AQNXPRMDSA-N 1 2 365.477 2.684 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC=C)C3)c1 ZINC001110964618 1019333379 /nfs/dbraw/zinc/33/33/79/1019333379.db2.gz SUESINUDVBSTNO-AQNXPRMDSA-N 1 2 365.477 2.684 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001047526500 1019342567 /nfs/dbraw/zinc/34/25/67/1019342567.db2.gz MRCWBTXIIDKZBH-HPBDAGMYSA-N 1 2 370.497 2.950 20 30 FFEDLO CC(C)[C@@H]1C[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000929361965 1019387798 /nfs/dbraw/zinc/38/77/98/1019387798.db2.gz AFGQTBCBXDIEEU-UXHICEINSA-N 1 2 355.482 2.654 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@]34CCO[C@@H]3CCCC4)CC2)cc1 ZINC000929362673 1019388079 /nfs/dbraw/zinc/38/80/79/1019388079.db2.gz IJSOPRIVHIUXIE-TZIWHRDSSA-N 1 2 353.466 2.552 20 30 FFEDLO Cc1cc(C)c(C(=O)NC[C@H]2CC[C@@H](Nc3ccncc3C#N)C2)c(C)[nH+]1 ZINC001047617329 1019453258 /nfs/dbraw/zinc/45/32/58/1019453258.db2.gz SIAJFGHPZDCMTN-FUHWJXTLSA-N 1 2 363.465 2.706 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+]([C@H]2CCc3ccc(F)cc32)C1 ZINC001044037589 1019641180 /nfs/dbraw/zinc/64/11/80/1019641180.db2.gz KFAKTYYMTMVMFI-IHPCNDPISA-N 1 2 358.457 2.937 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc3n(n2)CCC3)CC1 ZINC001095971749 1019655113 /nfs/dbraw/zinc/65/51/13/1019655113.db2.gz AOSNFWRGADLOAV-HOJAQTOUSA-N 1 2 354.498 2.797 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc3n(n2)CCC3)CC1 ZINC001095971749 1019655126 /nfs/dbraw/zinc/65/51/26/1019655126.db2.gz AOSNFWRGADLOAV-HOJAQTOUSA-N 1 2 354.498 2.797 20 30 FFEDLO C#CCCCC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H](C)c3ccc(F)c(F)c3)C[C@@H]21 ZINC001217725264 1032850908 /nfs/dbraw/zinc/85/09/08/1032850908.db2.gz LVUSUZZQTYFUIY-ZOCIIQOWSA-N 1 2 362.420 2.741 20 30 FFEDLO C#CCCCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H](C)c3ccc(F)c(F)c3)C[C@@H]21 ZINC001217725264 1032850921 /nfs/dbraw/zinc/85/09/21/1032850921.db2.gz LVUSUZZQTYFUIY-ZOCIIQOWSA-N 1 2 362.420 2.741 20 30 FFEDLO C[C@H](c1cccc(NC(=O)NCC#C[C@H]2CCCCO2)c1)[NH+]1CCOCC1 ZINC000930229545 1019935674 /nfs/dbraw/zinc/93/56/74/1019935674.db2.gz QOWUBZOZAZQROC-YLJYHZDGSA-N 1 2 371.481 2.774 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2CCc2ccccc2)CC1 ZINC000802286642 1019964963 /nfs/dbraw/zinc/96/49/63/1019964963.db2.gz XQOCFVDFEOVRSX-UHFFFAOYSA-N 1 2 363.509 2.934 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+](CN3C[C@H]([C@@H]4CCCO4)CC3=O)CC2)cc1 ZINC000902210344 1019969609 /nfs/dbraw/zinc/96/96/09/1019969609.db2.gz GZLJJSQPQLBIMC-UXHICEINSA-N 1 2 351.450 2.632 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C[C@H]([C@@H]4CCCO4)CC3=O)CC2)cc1 ZINC000902210344 1019969616 /nfs/dbraw/zinc/96/96/16/1019969616.db2.gz GZLJJSQPQLBIMC-UXHICEINSA-N 1 2 351.450 2.632 20 30 FFEDLO CC[C@H](CC1CCCCC1)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070696149 1020071964 /nfs/dbraw/zinc/07/19/64/1020071964.db2.gz FHJSRWOJLJIRGW-GUDVDZBRSA-N 1 2 371.529 2.824 20 30 FFEDLO N#Cc1ccccc1C(F)(F)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000900067424 1020164736 /nfs/dbraw/zinc/16/47/36/1020164736.db2.gz TVJUDKMWEGAYRQ-UHFFFAOYSA-N 1 2 356.376 2.962 20 30 FFEDLO C[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)C[C@@H]1OCCc2ccccc21 ZINC000725804715 1020266304 /nfs/dbraw/zinc/26/63/04/1020266304.db2.gz BHPAIYZXJGHZQZ-FQEVSTJZSA-N 1 2 374.444 2.666 20 30 FFEDLO C[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)C[C@@H]1OCCc2ccccc21 ZINC000725804715 1020266311 /nfs/dbraw/zinc/26/63/11/1020266311.db2.gz BHPAIYZXJGHZQZ-FQEVSTJZSA-N 1 2 374.444 2.666 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1coc(C3CC3)n1)C2 ZINC001072748177 1020298157 /nfs/dbraw/zinc/29/81/57/1020298157.db2.gz WBSOIIXLBCLZCX-MSOLQXFVSA-N 1 2 371.481 2.568 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC001072748177 1020298168 /nfs/dbraw/zinc/29/81/68/1020298168.db2.gz WBSOIIXLBCLZCX-MSOLQXFVSA-N 1 2 371.481 2.568 20 30 FFEDLO CCn1nc(C)cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001096057092 1020327364 /nfs/dbraw/zinc/32/73/64/1020327364.db2.gz MRPVFEYQDIDLGW-QYZOEREBSA-N 1 2 363.465 2.618 20 30 FFEDLO CCn1nc(C)cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001096057092 1020327375 /nfs/dbraw/zinc/32/73/75/1020327375.db2.gz MRPVFEYQDIDLGW-QYZOEREBSA-N 1 2 363.465 2.618 20 30 FFEDLO C#CC1(O)CC[NH+](Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)CC1 ZINC000931147030 1020347235 /nfs/dbraw/zinc/34/72/35/1020347235.db2.gz OZTUCIAJVHBODT-UHFFFAOYSA-N 1 2 369.490 2.593 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2Cc3c[nH]nc3[C@@H](C)C2)cc1 ZINC000931460042 1020477557 /nfs/dbraw/zinc/47/75/57/1020477557.db2.gz VBCOLNPGHKAOGJ-HOTGVXAUSA-N 1 2 351.454 2.973 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2Cc3c[nH]nc3[C@@H](C)C2)cc1 ZINC000931460042 1020477561 /nfs/dbraw/zinc/47/75/61/1020477561.db2.gz VBCOLNPGHKAOGJ-HOTGVXAUSA-N 1 2 351.454 2.973 20 30 FFEDLO C[C@H]1CN(Cc2ccccc2)C[C@]2(CC[N@H+](Cc3cncc(C#N)c3)C2)O1 ZINC000931704829 1020556260 /nfs/dbraw/zinc/55/62/60/1020556260.db2.gz RNWDCICKIRRKBW-PGRDOPGGSA-N 1 2 362.477 2.819 20 30 FFEDLO C[C@H]1CN(Cc2ccccc2)C[C@]2(CC[N@@H+](Cc3cncc(C#N)c3)C2)O1 ZINC000931704829 1020556267 /nfs/dbraw/zinc/55/62/67/1020556267.db2.gz RNWDCICKIRRKBW-PGRDOPGGSA-N 1 2 362.477 2.819 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(c3ccn(C)n3)CC2)c(C#N)c1C ZINC000932143944 1020722976 /nfs/dbraw/zinc/72/29/76/1020722976.db2.gz PKCIRTKPGHJOBQ-ZDUSSCGKSA-N 1 2 355.442 2.708 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)sc2C)cn1 ZINC001098245648 1020760097 /nfs/dbraw/zinc/76/00/97/1020760097.db2.gz VPIHMFBOGMVOAN-LMMKCTJWSA-N 1 2 366.490 2.672 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)sc2C)cn1 ZINC001098245648 1020760106 /nfs/dbraw/zinc/76/01/06/1020760106.db2.gz VPIHMFBOGMVOAN-LMMKCTJWSA-N 1 2 366.490 2.672 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001217997748 1032939430 /nfs/dbraw/zinc/93/94/30/1032939430.db2.gz KGBZYBKEWLLUNA-DLBZAZTESA-N 1 2 359.495 2.634 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001217997748 1032939435 /nfs/dbraw/zinc/93/94/35/1032939435.db2.gz KGBZYBKEWLLUNA-DLBZAZTESA-N 1 2 359.495 2.634 20 30 FFEDLO CCO[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000932972951 1020934872 /nfs/dbraw/zinc/93/48/72/1020934872.db2.gz VKMZOHPBZJGYID-KRWDZBQOSA-N 1 2 370.453 2.667 20 30 FFEDLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000932972951 1020934878 /nfs/dbraw/zinc/93/48/78/1020934878.db2.gz VKMZOHPBZJGYID-KRWDZBQOSA-N 1 2 370.453 2.667 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)nn1 ZINC000933068946 1020949315 /nfs/dbraw/zinc/94/93/15/1020949315.db2.gz IQLCOJZOEPNSAP-SFHVURJKSA-N 1 2 354.454 2.705 20 30 FFEDLO COC[C@@H]1CC[C@H]([C@H]2COCC[N@@H+]2Cc2ccccc2C(C)(C)C#N)O1 ZINC000933196641 1020975702 /nfs/dbraw/zinc/97/57/02/1020975702.db2.gz HPOUCACXPXOAGJ-DFQSSKMNSA-N 1 2 358.482 2.883 20 30 FFEDLO COC[C@@H]1CC[C@H]([C@H]2COCC[N@H+]2Cc2ccccc2C(C)(C)C#N)O1 ZINC000933196641 1020975707 /nfs/dbraw/zinc/97/57/07/1020975707.db2.gz HPOUCACXPXOAGJ-DFQSSKMNSA-N 1 2 358.482 2.883 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cccc(=O)[nH]2)cc1C ZINC000933395376 1021005240 /nfs/dbraw/zinc/00/52/40/1021005240.db2.gz IQXKHRIGTOGPSX-UHFFFAOYSA-N 1 2 352.438 2.783 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cccc(=O)[nH]2)cc1C ZINC000933395376 1021005241 /nfs/dbraw/zinc/00/52/41/1021005241.db2.gz IQXKHRIGTOGPSX-UHFFFAOYSA-N 1 2 352.438 2.783 20 30 FFEDLO O=C(C[NH+]1CCC2(CC1)CC(=O)C=CO2)Nc1ccc(C(F)(F)F)cc1 ZINC000933649873 1021058000 /nfs/dbraw/zinc/05/80/00/1021058000.db2.gz ITGHVRJPMAXKOD-UHFFFAOYSA-N 1 2 368.355 2.982 20 30 FFEDLO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933778091 1021089379 /nfs/dbraw/zinc/08/93/79/1021089379.db2.gz KDGUGMUBKIGCEK-CYBMUJFWSA-N 1 2 373.478 2.946 20 30 FFEDLO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933778091 1021089385 /nfs/dbraw/zinc/08/93/85/1021089385.db2.gz KDGUGMUBKIGCEK-CYBMUJFWSA-N 1 2 373.478 2.946 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2ncc(C4CC4)o2)C3)c1 ZINC001098778456 1021137162 /nfs/dbraw/zinc/13/71/62/1021137162.db2.gz IXTQISAIWOYTDZ-YWZLYKJASA-N 1 2 365.437 2.536 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2ncc(C4CC4)o2)C3)c1 ZINC001098778456 1021137166 /nfs/dbraw/zinc/13/71/66/1021137166.db2.gz IXTQISAIWOYTDZ-YWZLYKJASA-N 1 2 365.437 2.536 20 30 FFEDLO CCc1nc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)c3c[nH]c(C#N)c3)C2)cs1 ZINC001098801285 1021161136 /nfs/dbraw/zinc/16/11/36/1021161136.db2.gz OVHWOIUEOIXCFF-LIRRHRJNSA-N 1 2 369.494 2.690 20 30 FFEDLO CCc1nc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)c3c[nH]c(C#N)c3)C2)cs1 ZINC001098801285 1021161141 /nfs/dbraw/zinc/16/11/41/1021161141.db2.gz OVHWOIUEOIXCFF-LIRRHRJNSA-N 1 2 369.494 2.690 20 30 FFEDLO C[C@]1(C2CC2)COCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000934476830 1021253409 /nfs/dbraw/zinc/25/34/09/1021253409.db2.gz GDLJIKFBHFBCSG-IIBYNOLFSA-N 1 2 362.433 2.725 20 30 FFEDLO C[C@]1(C2CC2)COCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000934476830 1021253423 /nfs/dbraw/zinc/25/34/23/1021253423.db2.gz GDLJIKFBHFBCSG-IIBYNOLFSA-N 1 2 362.433 2.725 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)C1 ZINC001116540008 1021272907 /nfs/dbraw/zinc/27/29/07/1021272907.db2.gz JHKYSAAZRYDLTK-SFHVURJKSA-N 1 2 354.454 2.705 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](CC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)C1 ZINC001116540008 1021272913 /nfs/dbraw/zinc/27/29/13/1021272913.db2.gz JHKYSAAZRYDLTK-SFHVURJKSA-N 1 2 354.454 2.705 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)nn1 ZINC000934661580 1021329401 /nfs/dbraw/zinc/32/94/01/1021329401.db2.gz ROWNELSCEKRLEU-BEFAXECRSA-N 1 2 361.490 2.733 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)nn1 ZINC000934661580 1021329419 /nfs/dbraw/zinc/32/94/19/1021329419.db2.gz ROWNELSCEKRLEU-BEFAXECRSA-N 1 2 361.490 2.733 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC001014324575 1021782645 /nfs/dbraw/zinc/78/26/45/1021782645.db2.gz KYNTZYUPOJOKDB-WYSJICDVSA-N 1 2 370.497 2.755 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC001014324575 1021782657 /nfs/dbraw/zinc/78/26/57/1021782657.db2.gz KYNTZYUPOJOKDB-WYSJICDVSA-N 1 2 370.497 2.755 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015816254 1021960134 /nfs/dbraw/zinc/96/01/34/1021960134.db2.gz ITWJLEIVJDIPBF-AABGKKOBSA-N 1 2 353.466 2.620 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015816254 1021960142 /nfs/dbraw/zinc/96/01/42/1021960142.db2.gz ITWJLEIVJDIPBF-AABGKKOBSA-N 1 2 353.466 2.620 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(F)c(N)c3)CC2)cc1 ZINC001117959433 1021990909 /nfs/dbraw/zinc/99/09/09/1021990909.db2.gz IVSOJAVANJPRDW-UHFFFAOYSA-N 1 2 353.401 2.629 20 30 FFEDLO COCC#CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001118754957 1022385311 /nfs/dbraw/zinc/38/53/11/1022385311.db2.gz PIYQVTDTMWFRDI-UHFFFAOYSA-N 1 2 355.265 2.724 20 30 FFEDLO CCC1=C(Oc2ccc(C[C@H]([NH3+])C(=O)OC(C)(C)C)cc2)C(=O)[C@@H](C)O1 ZINC001218286465 1033086237 /nfs/dbraw/zinc/08/62/37/1033086237.db2.gz JUIJTGCQVHRXID-DOMZBBRYSA-N 1 2 361.438 2.886 20 30 FFEDLO C=C[C@@H](COC)[NH2+]Cc1nc(Br)c(Br)n1CC ZINC001119614370 1022896111 /nfs/dbraw/zinc/89/61/11/1022896111.db2.gz XPIHWWHEHYRRJK-QMMMGPOBSA-N 1 2 367.085 2.719 20 30 FFEDLO C=CCCCN(CC)C(=O)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001119799644 1023101411 /nfs/dbraw/zinc/10/14/11/1023101411.db2.gz RVZCASKNXZWDIK-GOSISDBHSA-N 1 2 368.481 2.635 20 30 FFEDLO COC(=O)[C@H]1[NH2+]CC[C@H]1Oc1ccc(C(=O)/C=C\c2ccccc2)cc1 ZINC001218347203 1033117091 /nfs/dbraw/zinc/11/70/91/1033117091.db2.gz PWYVWRZWZQXKRI-QQXJDKHMSA-N 1 2 351.402 2.865 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N(CCC)CC1CC1 ZINC001122478747 1023294992 /nfs/dbraw/zinc/29/49/92/1023294992.db2.gz MORVNRDJBJUENV-UHFFFAOYSA-N 1 2 361.534 2.685 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001122625798 1023376988 /nfs/dbraw/zinc/37/69/88/1023376988.db2.gz LQUTZXCZHBSOTG-QZTJIDSGSA-N 1 2 359.518 2.988 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1cc(F)cc(F)c1)C2 ZINC001111477871 1023384666 /nfs/dbraw/zinc/38/46/66/1023384666.db2.gz CGBQKXHZUPFROI-BMFZPTHFSA-N 1 2 356.800 2.818 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1cc(F)cc(F)c1)C2 ZINC001111477871 1023384673 /nfs/dbraw/zinc/38/46/73/1023384673.db2.gz CGBQKXHZUPFROI-BMFZPTHFSA-N 1 2 356.800 2.818 20 30 FFEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000948941011 1023419367 /nfs/dbraw/zinc/41/93/67/1023419367.db2.gz SABMTOUYRWXHPD-ZIBCJSCZSA-N 1 2 352.478 2.540 20 30 FFEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000948941011 1023419369 /nfs/dbraw/zinc/41/93/69/1023419369.db2.gz SABMTOUYRWXHPD-ZIBCJSCZSA-N 1 2 352.478 2.540 20 30 FFEDLO CN(C)c1cc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)ccn1 ZINC000754264019 1023446759 /nfs/dbraw/zinc/44/67/59/1023446759.db2.gz KOMDZWSLGIVPLA-IBGZPJMESA-N 1 2 353.445 2.669 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCN(CC)c1nc(C)[nH+]c(C)c1C ZINC001100737887 1023669976 /nfs/dbraw/zinc/66/99/76/1023669976.db2.gz WWXKOAJISTYYAV-ROUUACIJSA-N 1 2 360.502 2.716 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C)[C@H]2C1 ZINC001222767766 1033152101 /nfs/dbraw/zinc/15/21/01/1033152101.db2.gz MRYKXQDMTPZINE-WBVHZDCISA-N 1 2 371.529 2.718 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CC4)n3C)[C@H]2C1 ZINC001222767766 1033152105 /nfs/dbraw/zinc/15/21/05/1033152105.db2.gz MRYKXQDMTPZINE-WBVHZDCISA-N 1 2 371.529 2.718 20 30 FFEDLO C#CC1CCN(c2nnc([C@H]3CCCC[N@H+]3C)n2C[C@H]2CCCCO2)CC1 ZINC001123304166 1023732943 /nfs/dbraw/zinc/73/29/43/1023732943.db2.gz PIRNAHFCZKFTQI-RTBURBONSA-N 1 2 371.529 2.854 20 30 FFEDLO C#CC1CCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2C[C@H]2CCCCO2)CC1 ZINC001123304166 1023732948 /nfs/dbraw/zinc/73/29/48/1023732948.db2.gz PIRNAHFCZKFTQI-RTBURBONSA-N 1 2 371.529 2.854 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@H](C(C)(C)C)CC1 ZINC001121510194 1023818189 /nfs/dbraw/zinc/81/81/89/1023818189.db2.gz MQYQTJXBXPPDLG-ULQDDVLXSA-N 1 2 361.534 2.854 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@H](C(C)(C)C)CC1 ZINC001121510194 1023818192 /nfs/dbraw/zinc/81/81/92/1023818192.db2.gz MQYQTJXBXPPDLG-ULQDDVLXSA-N 1 2 361.534 2.854 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC(OC2CCC2)CC1 ZINC001121518847 1023822335 /nfs/dbraw/zinc/82/23/35/1023822335.db2.gz AIMADBGVXCKDHM-UHFFFAOYSA-N 1 2 359.518 2.988 20 30 FFEDLO CC(C)=C(C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218461252 1033167241 /nfs/dbraw/zinc/16/72/41/1033167241.db2.gz BEQDJCCFLVWYSQ-ZWKOTPCHSA-N 1 2 359.495 2.778 20 30 FFEDLO CC(C)=C(C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218461252 1033167252 /nfs/dbraw/zinc/16/72/52/1033167252.db2.gz BEQDJCCFLVWYSQ-ZWKOTPCHSA-N 1 2 359.495 2.778 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2c2ccccc2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121607568 1023877496 /nfs/dbraw/zinc/87/74/96/1023877496.db2.gz OPPIRFXKXHHNSZ-DBXWQHBBSA-N 1 2 367.497 2.717 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2c2ccccc2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121607568 1023877497 /nfs/dbraw/zinc/87/74/97/1023877497.db2.gz OPPIRFXKXHHNSZ-DBXWQHBBSA-N 1 2 367.497 2.717 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N(CCC)Cc1ccccc1F ZINC001121609546 1023879024 /nfs/dbraw/zinc/87/90/24/1023879024.db2.gz MGTYJQYIDYOLQO-FUHWJXTLSA-N 1 2 373.476 2.757 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N(CCC)Cc1ccccc1F ZINC001121609546 1023879036 /nfs/dbraw/zinc/87/90/36/1023879036.db2.gz MGTYJQYIDYOLQO-FUHWJXTLSA-N 1 2 373.476 2.757 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)[C@H](C)c1ccccc1F ZINC001121609268 1023879193 /nfs/dbraw/zinc/87/91/93/1023879193.db2.gz KGVZOGJAVGLZKB-CPUCHLNUSA-N 1 2 359.449 2.538 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)[C@H](C)c1ccccc1F ZINC001121609268 1023879198 /nfs/dbraw/zinc/87/91/98/1023879198.db2.gz KGVZOGJAVGLZKB-CPUCHLNUSA-N 1 2 359.449 2.538 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H]1c1ccc(O)cc1 ZINC001121619802 1023885275 /nfs/dbraw/zinc/88/52/75/1023885275.db2.gz CPNIDBSGVBZDSK-QGZVFWFLSA-N 1 2 364.453 2.836 20 30 FFEDLO C=CCn1c([C@@H]2CC=CCC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001121703315 1023935522 /nfs/dbraw/zinc/93/55/22/1023935522.db2.gz ZEFJZWSXSPZVOC-QGZVFWFLSA-N 1 2 365.485 2.713 20 30 FFEDLO CC(C)(C)C1=CC[N@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 ZINC000758357260 1024069502 /nfs/dbraw/zinc/06/95/02/1024069502.db2.gz FXRSOHRZUOSLLU-OAQYLSRUSA-N 1 2 366.465 2.961 20 30 FFEDLO CC(C)(C)C1=CC[N@@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 ZINC000758357260 1024069519 /nfs/dbraw/zinc/06/95/19/1024069519.db2.gz FXRSOHRZUOSLLU-OAQYLSRUSA-N 1 2 366.465 2.961 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001101248847 1024185404 /nfs/dbraw/zinc/18/54/04/1024185404.db2.gz VRIVXXHAUJAYPL-NQIIRXRSSA-N 1 2 371.529 2.908 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001101248847 1024185410 /nfs/dbraw/zinc/18/54/10/1024185410.db2.gz VRIVXXHAUJAYPL-NQIIRXRSSA-N 1 2 371.529 2.908 20 30 FFEDLO C#CCN(CC)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1Cc1ccccc1 ZINC001122073288 1024317251 /nfs/dbraw/zinc/31/72/51/1024317251.db2.gz GEWAHGORNIOHPU-IBGZPJMESA-N 1 2 367.497 2.568 20 30 FFEDLO C#CCN(CC)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1Cc1ccccc1 ZINC001122073288 1024317267 /nfs/dbraw/zinc/31/72/67/1024317267.db2.gz GEWAHGORNIOHPU-IBGZPJMESA-N 1 2 367.497 2.568 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)C)o3)C[C@@]2(C)C1 ZINC001101333209 1024476370 /nfs/dbraw/zinc/47/63/70/1024476370.db2.gz LEXJTSIRTRPRPH-UZLBHIALSA-N 1 2 358.486 2.667 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)C)o3)C[C@@]2(C)C1 ZINC001101333209 1024476373 /nfs/dbraw/zinc/47/63/73/1024476373.db2.gz LEXJTSIRTRPRPH-UZLBHIALSA-N 1 2 358.486 2.667 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000952791787 1025153856 /nfs/dbraw/zinc/15/38/56/1025153856.db2.gz SBBHKQXYEOCIKX-JUEKAOKDSA-N 1 2 370.497 2.707 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000952791787 1025153857 /nfs/dbraw/zinc/15/38/57/1025153857.db2.gz SBBHKQXYEOCIKX-JUEKAOKDSA-N 1 2 370.497 2.707 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1C ZINC001102219737 1025601354 /nfs/dbraw/zinc/60/13/54/1025601354.db2.gz SMMZFCRSJBMEGC-HUUCEWRRSA-N 1 2 361.534 2.889 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1C ZINC001102219737 1025601357 /nfs/dbraw/zinc/60/13/57/1025601357.db2.gz SMMZFCRSJBMEGC-HUUCEWRRSA-N 1 2 361.534 2.889 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2nn(C)cc2Cl)C[C@H]1C ZINC001102219415 1025602519 /nfs/dbraw/zinc/60/25/19/1025602519.db2.gz GISBNHMQYYPLDV-ZIAGYGMSSA-N 1 2 352.910 2.860 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2nn(C)cc2Cl)C[C@H]1C ZINC001102219415 1025602526 /nfs/dbraw/zinc/60/25/26/1025602526.db2.gz GISBNHMQYYPLDV-ZIAGYGMSSA-N 1 2 352.910 2.860 20 30 FFEDLO C#CCCCCCC(=O)NC[C@@H]1C[N@H+](Cc2nnc(C(C)C)[nH]2)C[C@H]1C ZINC001102228722 1025612301 /nfs/dbraw/zinc/61/23/01/1025612301.db2.gz JNWHUUAZXGJSND-IAGOWNOFSA-N 1 2 359.518 2.696 20 30 FFEDLO C#CCCCCCC(=O)NC[C@@H]1C[N@@H+](Cc2nnc(C(C)C)[nH]2)C[C@H]1C ZINC001102228722 1025612303 /nfs/dbraw/zinc/61/23/03/1025612303.db2.gz JNWHUUAZXGJSND-IAGOWNOFSA-N 1 2 359.518 2.696 20 30 FFEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000245989393 1025674741 /nfs/dbraw/zinc/67/47/41/1025674741.db2.gz IBNYNXVJHKEDCM-VQTJNVASSA-N 1 2 352.434 2.698 20 30 FFEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000245989393 1025674751 /nfs/dbraw/zinc/67/47/51/1025674751.db2.gz IBNYNXVJHKEDCM-VQTJNVASSA-N 1 2 352.434 2.698 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001102327269 1025752982 /nfs/dbraw/zinc/75/29/82/1025752982.db2.gz LAXJFDULPMFFAX-HBUWYVDXSA-N 1 2 366.531 2.723 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001102327269 1025752996 /nfs/dbraw/zinc/75/29/96/1025752996.db2.gz LAXJFDULPMFFAX-HBUWYVDXSA-N 1 2 366.531 2.723 20 30 FFEDLO C=CCCC1(C(=O)NC[C@@H]2C[N@@H+](Cc3nc(C4CC4)nn3C)C[C@H]2C)CC1 ZINC001102328762 1025756187 /nfs/dbraw/zinc/75/61/87/1025756187.db2.gz WURHAICJIXCBRG-NVXWUHKLSA-N 1 2 371.529 2.623 20 30 FFEDLO C=CCCC1(C(=O)NC[C@@H]2C[N@H+](Cc3nc(C4CC4)nn3C)C[C@H]2C)CC1 ZINC001102328762 1025756200 /nfs/dbraw/zinc/75/62/00/1025756200.db2.gz WURHAICJIXCBRG-NVXWUHKLSA-N 1 2 371.529 2.623 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)nn1 ZINC000640822637 1026954876 /nfs/dbraw/zinc/95/48/76/1026954876.db2.gz NIBIXOJERLCKIX-GFCCVEGCSA-N 1 2 365.359 2.610 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccc(COC(C)=O)o1)CCC2 ZINC001141784205 1026976858 /nfs/dbraw/zinc/97/68/58/1026976858.db2.gz RJYXKHQJQKWLFS-UHFFFAOYSA-N 1 2 359.426 2.648 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccc(COC(C)=O)o1)CCC2 ZINC001141784205 1026976868 /nfs/dbraw/zinc/97/68/68/1026976868.db2.gz RJYXKHQJQKWLFS-UHFFFAOYSA-N 1 2 359.426 2.648 20 30 FFEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)cc1 ZINC000091811047 1027069638 /nfs/dbraw/zinc/06/96/38/1027069638.db2.gz ATKOIURTCANILV-MRXNPFEDSA-N 1 2 365.433 2.641 20 30 FFEDLO N#Cc1cc(C#N)c(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)nc1Cl ZINC001158621435 1027075725 /nfs/dbraw/zinc/07/57/25/1027075725.db2.gz FSQMUDPKKQULKL-ZDUSSCGKSA-N 1 2 351.788 2.788 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1cc(Cl)cc(C#N)n1)C[NH2+]C2(C)C ZINC001159660114 1027459624 /nfs/dbraw/zinc/45/96/24/1027459624.db2.gz YPBYRJZBDCXJKO-UHFFFAOYSA-N 1 2 360.805 2.890 20 30 FFEDLO N#Cc1nc(Cl)ccc1C(F)(F)NCC[NH+]1CCC(F)(F)CC1 ZINC001160749210 1027855890 /nfs/dbraw/zinc/85/58/90/1027855890.db2.gz MVRWFHVHNOYSAB-UHFFFAOYSA-N 1 2 350.747 2.977 20 30 FFEDLO CC(C)c1nc(C[NH2+]CC[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2C)no1 ZINC001104174945 1028635718 /nfs/dbraw/zinc/63/57/18/1028635718.db2.gz LMELLWZFEWWFSO-HZPDHXFCSA-N 1 2 360.502 2.817 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)CCCC1 ZINC001111517565 1028721633 /nfs/dbraw/zinc/72/16/33/1028721633.db2.gz GBGQHLYLLKLWLO-ZACQAIPSSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)CCCC1 ZINC001111517565 1028721648 /nfs/dbraw/zinc/72/16/48/1028721648.db2.gz GBGQHLYLLKLWLO-ZACQAIPSSA-N 1 2 361.530 2.759 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(Br)c2)C[C@H]1C ZINC001206660158 1029071282 /nfs/dbraw/zinc/07/12/82/1029071282.db2.gz YRJQOOYVXFTVEQ-FIXISWKDSA-N 1 2 368.250 2.684 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(Br)c2)C[C@H]1C ZINC001206660158 1029071300 /nfs/dbraw/zinc/07/13/00/1029071300.db2.gz YRJQOOYVXFTVEQ-FIXISWKDSA-N 1 2 368.250 2.684 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1nncn1C)C2 ZINC001111759866 1029366521 /nfs/dbraw/zinc/36/65/21/1029366521.db2.gz MXAVCWFDYNTXTK-KNBMTAEXSA-N 1 2 357.502 2.615 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1nncn1C)C2 ZINC001111759866 1029366531 /nfs/dbraw/zinc/36/65/31/1029366531.db2.gz MXAVCWFDYNTXTK-KNBMTAEXSA-N 1 2 357.502 2.615 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc3n1CCCCC3)C2 ZINC001111765178 1029380842 /nfs/dbraw/zinc/38/08/42/1029380842.db2.gz XTRVDZVBPYTZPY-UWJYYQICSA-N 1 2 371.529 2.832 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc3n1CCCCC3)C2 ZINC001111765178 1029380860 /nfs/dbraw/zinc/38/08/60/1029380860.db2.gz XTRVDZVBPYTZPY-UWJYYQICSA-N 1 2 371.529 2.832 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)n1CC)C2 ZINC001111850450 1029615870 /nfs/dbraw/zinc/61/58/70/1029615870.db2.gz NGUXVFTXULSBDW-UWVAXJGDSA-N 1 2 359.518 2.679 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)n1CC)C2 ZINC001111850450 1029615872 /nfs/dbraw/zinc/61/58/72/1029615872.db2.gz NGUXVFTXULSBDW-UWVAXJGDSA-N 1 2 359.518 2.679 20 30 FFEDLO N#CCc1cc[nH+]c(N2CCC3(CCN(CC(F)(F)F)C3=O)CC2)c1 ZINC001158141337 1029744336 /nfs/dbraw/zinc/74/43/36/1029744336.db2.gz YMOBRTYTHSTXDK-UHFFFAOYSA-N 1 2 352.360 2.529 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nocc2C)C1 ZINC001112086788 1029974176 /nfs/dbraw/zinc/97/41/76/1029974176.db2.gz STSJNJYOZSZHGG-UKRRQHHQSA-N 1 2 357.376 2.656 20 30 FFEDLO N#Cc1cc2nc(N3Cc4c[nH+]cn4C[C@H](COCC4CC4)C3)ccc2[nH]1 ZINC001165689915 1030082365 /nfs/dbraw/zinc/08/23/65/1030082365.db2.gz BOMQVPAHRWFHFK-OAHLLOKOSA-N 1 2 362.437 2.694 20 30 FFEDLO N#Cc1cnc(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c(Cl)c1 ZINC001165691387 1030085309 /nfs/dbraw/zinc/08/53/09/1030085309.db2.gz OLKFXTJEJOOUKW-HNNXBMFYSA-N 1 2 357.845 2.866 20 30 FFEDLO N#Cc1c(Cl)ccnc1N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001165691913 1030086226 /nfs/dbraw/zinc/08/62/26/1030086226.db2.gz OHTXAHGANGGHGA-AWEZNQCLSA-N 1 2 357.845 2.866 20 30 FFEDLO N#CCc1cc[nH+]c(N2CCC3(CCN(C(=O)c4cscn4)C3)CC2)c1 ZINC001166034598 1030215682 /nfs/dbraw/zinc/21/56/82/1030215682.db2.gz UEAIVCTWQMFANV-UHFFFAOYSA-N 1 2 367.478 2.737 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2OC)C1 ZINC001203472468 1030712321 /nfs/dbraw/zinc/71/23/21/1030712321.db2.gz VCQFUSOCQYBLHE-HNNXBMFYSA-N 1 2 364.442 2.589 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2OC)C1 ZINC001203472468 1030712335 /nfs/dbraw/zinc/71/23/35/1030712335.db2.gz VCQFUSOCQYBLHE-HNNXBMFYSA-N 1 2 364.442 2.589 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2OC)C1 ZINC001203472471 1030712663 /nfs/dbraw/zinc/71/26/63/1030712663.db2.gz VCQFUSOCQYBLHE-OAHLLOKOSA-N 1 2 364.442 2.589 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2OC)C1 ZINC001203472471 1030712668 /nfs/dbraw/zinc/71/26/68/1030712668.db2.gz VCQFUSOCQYBLHE-OAHLLOKOSA-N 1 2 364.442 2.589 20 30 FFEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccc(O)c(O)c1)CC2 ZINC001203878161 1030952316 /nfs/dbraw/zinc/95/23/16/1030952316.db2.gz QFQUDWASPFEDCV-UHFFFAOYSA-N 1 2 369.465 2.965 20 30 FFEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccc(O)c(O)c1)CC2 ZINC001203878161 1030952330 /nfs/dbraw/zinc/95/23/30/1030952330.db2.gz QFQUDWASPFEDCV-UHFFFAOYSA-N 1 2 369.465 2.965 20 30 FFEDLO CC(=O)[C@H](C)N1CC[C@]2(CC[N@H+](Cc3c(Cl)cccc3C#N)C2)C1=O ZINC001276437205 1031053217 /nfs/dbraw/zinc/05/32/17/1031053217.db2.gz NXRSPCRDESRCGB-DJJJIMSYSA-N 1 2 359.857 2.614 20 30 FFEDLO CC(=O)[C@H](C)N1CC[C@]2(CC[N@@H+](Cc3c(Cl)cccc3C#N)C2)C1=O ZINC001276437205 1031053232 /nfs/dbraw/zinc/05/32/32/1031053232.db2.gz NXRSPCRDESRCGB-DJJJIMSYSA-N 1 2 359.857 2.614 20 30 FFEDLO C=CCN1CC2(CCC1=O)CC[NH+](CC(=O)c1ccc(OC)cc1)CC2 ZINC001276866992 1033304722 /nfs/dbraw/zinc/30/47/22/1033304722.db2.gz XETKDXDANCIJSU-UHFFFAOYSA-N 1 2 356.466 2.769 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N1CC[C@H]2CC[N@H+](Cc3cscn3)[C@H]2C1 ZINC001223200963 1033333312 /nfs/dbraw/zinc/33/33/12/1033333312.db2.gz VYFQSCHGGODCSW-HHXXYDBFSA-N 1 2 363.527 2.795 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cscn3)[C@H]2C1 ZINC001223200963 1033333322 /nfs/dbraw/zinc/33/33/22/1033333322.db2.gz VYFQSCHGGODCSW-HHXXYDBFSA-N 1 2 363.527 2.795 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001223343939 1033403811 /nfs/dbraw/zinc/40/38/11/1033403811.db2.gz DHURJTCXEVDNMT-UXLLHSPISA-N 1 2 358.486 2.972 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001223343939 1033403819 /nfs/dbraw/zinc/40/38/19/1033403819.db2.gz DHURJTCXEVDNMT-UXLLHSPISA-N 1 2 358.486 2.972 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)cc2F)C[C@@H]1O ZINC001219686694 1033749712 /nfs/dbraw/zinc/74/97/12/1033749712.db2.gz RTJAVZZAFPUVSZ-ZNOIYHFQSA-N 1 2 364.436 2.956 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)cc2F)C[C@@H]1O ZINC001219686694 1033749723 /nfs/dbraw/zinc/74/97/23/1033749723.db2.gz RTJAVZZAFPUVSZ-ZNOIYHFQSA-N 1 2 364.436 2.956 20 30 FFEDLO CCC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001219693880 1033757036 /nfs/dbraw/zinc/75/70/36/1033757036.db2.gz YDARCPRDLAQSCW-MSOLQXFVSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001219693880 1033757054 /nfs/dbraw/zinc/75/70/54/1033757054.db2.gz YDARCPRDLAQSCW-MSOLQXFVSA-N 1 2 362.901 2.679 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3c2cc(F)cc3F)C[C@@H]1O ZINC001219706981 1033776070 /nfs/dbraw/zinc/77/60/70/1033776070.db2.gz XYXDDCQETDYONL-KURKYZTESA-N 1 2 364.436 2.716 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3c2cc(F)cc3F)C[C@@H]1O ZINC001219706981 1033776086 /nfs/dbraw/zinc/77/60/86/1033776086.db2.gz XYXDDCQETDYONL-KURKYZTESA-N 1 2 364.436 2.716 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@@H+](Cc3cccc4nc(C)ccc34)C[C@@]2(F)C1=O ZINC001276807553 1033789282 /nfs/dbraw/zinc/78/92/82/1033789282.db2.gz RFRJAIQYCITEHT-VQTJNVASSA-N 1 2 357.404 2.804 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@H+](Cc3cccc4nc(C)ccc34)C[C@@]2(F)C1=O ZINC001276807553 1033789298 /nfs/dbraw/zinc/78/92/98/1033789298.db2.gz RFRJAIQYCITEHT-VQTJNVASSA-N 1 2 357.404 2.804 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001224271483 1033816078 /nfs/dbraw/zinc/81/60/78/1033816078.db2.gz NDKBQWYQOZQHSX-UZLBHIALSA-N 1 2 371.456 2.713 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001224271483 1033816087 /nfs/dbraw/zinc/81/60/87/1033816087.db2.gz NDKBQWYQOZQHSX-UZLBHIALSA-N 1 2 371.456 2.713 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nc(C)no4)[C@H]3C2)CCCC1 ZINC001224344940 1033855578 /nfs/dbraw/zinc/85/55/78/1033855578.db2.gz YLZFFUDGIHTLKJ-SJORKVTESA-N 1 2 358.486 2.937 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nc(C)no4)[C@H]3C2)CCCC1 ZINC001224344940 1033855587 /nfs/dbraw/zinc/85/55/87/1033855587.db2.gz YLZFFUDGIHTLKJ-SJORKVTESA-N 1 2 358.486 2.937 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2csc(-c3ccc(O)cc3)n2)C1=O ZINC001276992686 1033983711 /nfs/dbraw/zinc/98/37/11/1033983711.db2.gz VFFZCIHTLDNJIN-FQEVSTJZSA-N 1 2 367.474 2.716 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2csc(-c3ccc(O)cc3)n2)C1=O ZINC001276992686 1033983722 /nfs/dbraw/zinc/98/37/22/1033983722.db2.gz VFFZCIHTLDNJIN-FQEVSTJZSA-N 1 2 367.474 2.716 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc3ccccc3o2)C[C@@H]1O ZINC001220133558 1033997389 /nfs/dbraw/zinc/99/73/89/1033997389.db2.gz FGQGRALJAPHRHT-IMJJTQAJSA-N 1 2 357.454 2.652 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc3ccccc3o2)C[C@@H]1O ZINC001220133558 1033997394 /nfs/dbraw/zinc/99/73/94/1033997394.db2.gz FGQGRALJAPHRHT-IMJJTQAJSA-N 1 2 357.454 2.652 20 30 FFEDLO Cc1ncc(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)cc1C#N ZINC001277009738 1034072679 /nfs/dbraw/zinc/07/26/79/1034072679.db2.gz HXODKUVGKAXNRS-UHFFFAOYSA-N 1 2 352.360 2.505 20 30 FFEDLO Cc1ncc(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)cc1C#N ZINC001277009738 1034072691 /nfs/dbraw/zinc/07/26/91/1034072691.db2.gz HXODKUVGKAXNRS-UHFFFAOYSA-N 1 2 352.360 2.505 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1O ZINC001220280515 1034095871 /nfs/dbraw/zinc/09/58/71/1034095871.db2.gz MCHQZBCTTDFZND-SVFBPWRDSA-N 1 2 369.465 2.605 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1O ZINC001220280515 1034095890 /nfs/dbraw/zinc/09/58/90/1034095890.db2.gz MCHQZBCTTDFZND-SVFBPWRDSA-N 1 2 369.465 2.605 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2CCN3C(=O)c4ccccc4[C@@H]3C2)cc1OC ZINC001138344150 1034174817 /nfs/dbraw/zinc/17/48/17/1034174817.db2.gz ZAMJYDILPDTPGA-IBGZPJMESA-N 1 2 362.429 2.720 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2CCN3C(=O)c4ccccc4[C@@H]3C2)cc1OC ZINC001138344150 1034174826 /nfs/dbraw/zinc/17/48/26/1034174826.db2.gz ZAMJYDILPDTPGA-IBGZPJMESA-N 1 2 362.429 2.720 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(CCC)n1 ZINC001225239497 1034176743 /nfs/dbraw/zinc/17/67/43/1034176743.db2.gz RVZNDSIYTWCLTL-ARFHVFGLSA-N 1 2 364.490 2.520 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001220437151 1034177090 /nfs/dbraw/zinc/17/70/90/1034177090.db2.gz WNSCDDDETQKVPS-CVEARBPZSA-N 1 2 370.415 2.969 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001220437151 1034177100 /nfs/dbraw/zinc/17/71/00/1034177100.db2.gz WNSCDDDETQKVPS-CVEARBPZSA-N 1 2 370.415 2.969 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(=O)oc3c(C)c(C)ccc23)CC1 ZINC000831695444 1034215484 /nfs/dbraw/zinc/21/54/84/1034215484.db2.gz QYUPRYSOPFWLBY-UHFFFAOYSA-N 1 2 354.406 2.689 20 30 FFEDLO CCN(CC)c1ccc(C[NH+]2CCC(C#N)(C(=O)OC)CC2)c(OC)c1 ZINC001138391543 1034227949 /nfs/dbraw/zinc/22/79/49/1034227949.db2.gz FUKQLQUVRNGSOY-UHFFFAOYSA-N 1 2 359.470 2.820 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C2CCCCC2)n1 ZINC001225394674 1034233005 /nfs/dbraw/zinc/23/30/05/1034233005.db2.gz CGZUZSQCARVNHX-NUEKZKHPSA-N 1 2 359.474 2.794 20 30 FFEDLO CC[C@@H](C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001220595761 1034277169 /nfs/dbraw/zinc/27/71/69/1034277169.db2.gz FLRKBVQADJCAKB-LZQZEXGQSA-N 1 2 362.901 2.679 20 30 FFEDLO CC[C@@H](C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001220595761 1034277183 /nfs/dbraw/zinc/27/71/83/1034277183.db2.gz FLRKBVQADJCAKB-LZQZEXGQSA-N 1 2 362.901 2.679 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@@H]1O ZINC001220835066 1034419574 /nfs/dbraw/zinc/41/95/74/1034419574.db2.gz QIBRTMJOMOQRMD-MSOLQXFVSA-N 1 2 363.502 2.502 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@@H]1O ZINC001220835066 1034419581 /nfs/dbraw/zinc/41/95/81/1034419581.db2.gz QIBRTMJOMOQRMD-MSOLQXFVSA-N 1 2 363.502 2.502 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cncn2Cc2ccccc2)C1 ZINC001138568476 1034421613 /nfs/dbraw/zinc/42/16/13/1034421613.db2.gz SJTXVNZYHQAGAQ-SFHVURJKSA-N 1 2 354.454 2.808 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cncn2Cc2ccccc2)C1 ZINC001138568476 1034421627 /nfs/dbraw/zinc/42/16/27/1034421627.db2.gz SJTXVNZYHQAGAQ-SFHVURJKSA-N 1 2 354.454 2.808 20 30 FFEDLO CC(C)CC(CC(C)C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001221114708 1034555935 /nfs/dbraw/zinc/55/59/35/1034555935.db2.gz LRLDKDPPIQKIAB-YADHBBJMSA-N 1 2 370.537 2.908 20 30 FFEDLO CC(C)CC(CC(C)C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001221114708 1034555940 /nfs/dbraw/zinc/55/59/40/1034555940.db2.gz LRLDKDPPIQKIAB-YADHBBJMSA-N 1 2 370.537 2.908 20 30 FFEDLO C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 ZINC001221294523 1034655367 /nfs/dbraw/zinc/65/53/67/1034655367.db2.gz VJJNFNMWYBBKSQ-PBFPGSCMSA-N 1 2 365.449 2.815 20 30 FFEDLO C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 ZINC001221294523 1034655371 /nfs/dbraw/zinc/65/53/71/1034655371.db2.gz VJJNFNMWYBBKSQ-PBFPGSCMSA-N 1 2 365.449 2.815 20 30 FFEDLO CC(C)OCCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221298957 1034656416 /nfs/dbraw/zinc/65/64/16/1034656416.db2.gz JETBGPFDUQCYDF-VQIMIIECSA-N 1 2 359.445 2.545 20 30 FFEDLO CC(C)OCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221298957 1034656422 /nfs/dbraw/zinc/65/64/22/1034656422.db2.gz JETBGPFDUQCYDF-VQIMIIECSA-N 1 2 359.445 2.545 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCCC3CCCCC3)C[C@H]21 ZINC001221424345 1034739302 /nfs/dbraw/zinc/73/93/02/1034739302.db2.gz BHGDVRIBWUFEET-RTBURBONSA-N 1 2 361.530 2.572 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCCC3CCCCC3)C[C@H]21 ZINC001221424345 1034739319 /nfs/dbraw/zinc/73/93/19/1034739319.db2.gz BHGDVRIBWUFEET-RTBURBONSA-N 1 2 361.530 2.572 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)sc3C)C[C@H]21 ZINC001221423805 1034739566 /nfs/dbraw/zinc/73/95/66/1034739566.db2.gz RXSOIQMPMNGYCW-FDQGKXFDSA-N 1 2 363.527 2.774 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)sc3C)C[C@H]21 ZINC001221423805 1034739579 /nfs/dbraw/zinc/73/95/79/1034739579.db2.gz RXSOIQMPMNGYCW-FDQGKXFDSA-N 1 2 363.527 2.774 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc(C)c3)C[C@H]21 ZINC001221512559 1034831283 /nfs/dbraw/zinc/83/12/83/1034831283.db2.gz GGFBTJNHCXIMMQ-QWFCFKBJSA-N 1 2 367.493 2.658 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc(C)c3)C[C@H]21 ZINC001221512559 1034831297 /nfs/dbraw/zinc/83/12/97/1034831297.db2.gz GGFBTJNHCXIMMQ-QWFCFKBJSA-N 1 2 367.493 2.658 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@H+](Cc3nc(-c4ccccc4)no3)C[C@H]21 ZINC001221514866 1034832961 /nfs/dbraw/zinc/83/29/61/1034832961.db2.gz OAFHUXFLBJANML-QZTJIDSGSA-N 1 2 364.449 2.573 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3nc(-c4ccccc4)no3)C[C@H]21 ZINC001221514866 1034832974 /nfs/dbraw/zinc/83/29/74/1034832974.db2.gz OAFHUXFLBJANML-QZTJIDSGSA-N 1 2 364.449 2.573 20 30 FFEDLO CC(C)Oc1ncccc1C[N@@H+]1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001277169081 1034894344 /nfs/dbraw/zinc/89/43/44/1034894344.db2.gz WHZZRHPKDJSUOS-FQEVSTJZSA-N 1 2 356.470 2.739 20 30 FFEDLO CC(C)Oc1ncccc1C[N@H+]1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001277169081 1034894351 /nfs/dbraw/zinc/89/43/51/1034894351.db2.gz WHZZRHPKDJSUOS-FQEVSTJZSA-N 1 2 356.470 2.739 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cnn(CCC)c2)Cc2nnn(CC3CC3)c21 ZINC001139038741 1034900725 /nfs/dbraw/zinc/90/07/25/1034900725.db2.gz KPZDSLSPPZJKRV-SFHVURJKSA-N 1 2 370.501 2.597 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](Cc2cnn(CCC)c2)Cc2nnn(CC3CC3)c21 ZINC001139038741 1034900732 /nfs/dbraw/zinc/90/07/32/1034900732.db2.gz KPZDSLSPPZJKRV-SFHVURJKSA-N 1 2 370.501 2.597 20 30 FFEDLO CCC[C@H](OC)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221733657 1035024700 /nfs/dbraw/zinc/02/47/00/1035024700.db2.gz WWVWEHBNAOYYTJ-RLLQIKCJSA-N 1 2 358.457 2.525 20 30 FFEDLO CCC[C@H](OC)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221733657 1035024711 /nfs/dbraw/zinc/02/47/11/1035024711.db2.gz WWVWEHBNAOYYTJ-RLLQIKCJSA-N 1 2 358.457 2.525 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCN(c4ccccc4)C3=O)C[C@H]21 ZINC001221782841 1035065222 /nfs/dbraw/zinc/06/52/22/1035065222.db2.gz QJSHFGSIHDLCGO-YZGWKJHDSA-N 1 2 367.493 2.681 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCN(c4ccccc4)C3=O)C[C@H]21 ZINC001221782841 1035065229 /nfs/dbraw/zinc/06/52/29/1035065229.db2.gz QJSHFGSIHDLCGO-YZGWKJHDSA-N 1 2 367.493 2.681 20 30 FFEDLO C=CC1(CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccn(C)n4)C[C@H]32)CCCCC1 ZINC001221867273 1035122870 /nfs/dbraw/zinc/12/28/70/1035122870.db2.gz GMXYMDRQDSSPPU-IEBWSBKVSA-N 1 2 356.514 2.979 20 30 FFEDLO C=CC1(CC(=O)N2C[C@H]3CC[N@H+](Cc4ccn(C)n4)C[C@H]32)CCCCC1 ZINC001221867273 1035122874 /nfs/dbraw/zinc/12/28/74/1035122874.db2.gz GMXYMDRQDSSPPU-IEBWSBKVSA-N 1 2 356.514 2.979 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCn3cnc(Cn4cccn4)c3C2)cc1F ZINC001139527545 1035147699 /nfs/dbraw/zinc/14/76/99/1035147699.db2.gz FTRUFQOJRGCVLQ-UHFFFAOYSA-N 1 2 350.401 2.545 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCn3cnc(Cn4cccn4)c3C2)cc1F ZINC001139527545 1035147703 /nfs/dbraw/zinc/14/77/03/1035147703.db2.gz FTRUFQOJRGCVLQ-UHFFFAOYSA-N 1 2 350.401 2.545 20 30 FFEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1csc(NC(C)=O)n1)C2 ZINC001232284417 1035550129 /nfs/dbraw/zinc/55/01/29/1035550129.db2.gz MAMBMMJQBVJJSK-FUHWJXTLSA-N 1 2 365.499 2.675 20 30 FFEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1csc(NC(C)=O)n1)C2 ZINC001232284417 1035550141 /nfs/dbraw/zinc/55/01/41/1035550141.db2.gz MAMBMMJQBVJJSK-FUHWJXTLSA-N 1 2 365.499 2.675 20 30 FFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@@H](NC(=O)C2CC2)[C@H]2OCCC[C@H]2C1 ZINC001232606977 1035861940 /nfs/dbraw/zinc/86/19/40/1035861940.db2.gz BXCOFTXJVIOLIH-IPELMVKDSA-N 1 2 373.884 2.717 20 30 FFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H](NC(=O)C2CC2)[C@H]2OCCC[C@H]2C1 ZINC001232606977 1035861960 /nfs/dbraw/zinc/86/19/60/1035861960.db2.gz BXCOFTXJVIOLIH-IPELMVKDSA-N 1 2 373.884 2.717 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)c1 ZINC001232676154 1035932783 /nfs/dbraw/zinc/93/27/83/1035932783.db2.gz GPECYZLRJBNPNI-DOTOQJQBSA-N 1 2 354.479 2.817 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)c1 ZINC001232676154 1035932797 /nfs/dbraw/zinc/93/27/97/1035932797.db2.gz GPECYZLRJBNPNI-DOTOQJQBSA-N 1 2 354.479 2.817 20 30 FFEDLO N#Cc1c(F)cc(C[NH+]2CCC(NC(=O)N3CCCCC3)CC2)cc1F ZINC001140755824 1036069208 /nfs/dbraw/zinc/06/92/08/1036069208.db2.gz UTGWNOWBEZXXCS-UHFFFAOYSA-N 1 2 362.424 2.996 20 30 FFEDLO N#Cc1c(F)cc(C[NH+]2CCC(Oc3ccc(C(N)=O)cc3)CC2)cc1F ZINC001140756356 1036069321 /nfs/dbraw/zinc/06/93/21/1036069321.db2.gz LIKAJSPPXCDBIY-UHFFFAOYSA-N 1 2 371.387 2.979 20 30 FFEDLO CC(C)(C)OC(=O)N1CCO[C@H]2C[N@H+](Cc3ccc(C#N)s3)CC[C@@H]21 ZINC001232843992 1036103451 /nfs/dbraw/zinc/10/34/51/1036103451.db2.gz DBJBFLGURCBFLY-HOTGVXAUSA-N 1 2 363.483 2.830 20 30 FFEDLO CC(C)(C)OC(=O)N1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@@H]21 ZINC001232843992 1036103458 /nfs/dbraw/zinc/10/34/58/1036103458.db2.gz DBJBFLGURCBFLY-HOTGVXAUSA-N 1 2 363.483 2.830 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001232890880 1036132772 /nfs/dbraw/zinc/13/27/72/1036132772.db2.gz BRPRMHNNTTVPCT-UZLBHIALSA-N 1 2 371.387 2.759 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001232890880 1036132776 /nfs/dbraw/zinc/13/27/76/1036132776.db2.gz BRPRMHNNTTVPCT-UZLBHIALSA-N 1 2 371.387 2.759 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2nc(Cl)nc3nc[nH]c32)C1 ZINC001228510988 1036150993 /nfs/dbraw/zinc/15/09/93/1036150993.db2.gz ZYUIREWPYKBNEW-ZDUSSCGKSA-N 1 2 354.801 2.531 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2nc(Cl)nc3nc[nH]c32)C1 ZINC001228510988 1036151000 /nfs/dbraw/zinc/15/10/00/1036151000.db2.gz ZYUIREWPYKBNEW-ZDUSSCGKSA-N 1 2 354.801 2.531 20 30 FFEDLO CCCCCCCC[C@@H](O)C[NH+]1CC2(C1)CN(C1CCCC1)C(=O)CO2 ZINC001277735468 1036160178 /nfs/dbraw/zinc/16/01/78/1036160178.db2.gz TUTAMZHVRQUIDB-LJQANCHMSA-N 1 2 366.546 2.954 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001228769052 1036312015 /nfs/dbraw/zinc/31/20/15/1036312015.db2.gz RZOKPDYKLZEPED-KRWDZBQOSA-N 1 2 353.378 2.746 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001228769052 1036312029 /nfs/dbraw/zinc/31/20/29/1036312029.db2.gz RZOKPDYKLZEPED-KRWDZBQOSA-N 1 2 353.378 2.746 20 30 FFEDLO N#CCCCN1CC[C@@]2(CCC[N@@H+](Cc3ncc(Cl)cn3)CC2)C1=O ZINC001277338069 1036384238 /nfs/dbraw/zinc/38/42/38/1036384238.db2.gz IFJUGSZUVHOQMQ-SFHVURJKSA-N 1 2 361.877 2.638 20 30 FFEDLO N#CCCCN1CC[C@@]2(CCC[N@H+](Cc3ncc(Cl)cn3)CC2)C1=O ZINC001277338069 1036384258 /nfs/dbraw/zinc/38/42/58/1036384258.db2.gz IFJUGSZUVHOQMQ-SFHVURJKSA-N 1 2 361.877 2.638 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc2cccc(O)c2n1 ZINC001141022873 1036746946 /nfs/dbraw/zinc/74/69/46/1036746946.db2.gz ALKIZYYWGRHTMM-GOSISDBHSA-N 1 2 364.449 2.976 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc2cccc(O)c2n1 ZINC001141022873 1036746963 /nfs/dbraw/zinc/74/69/63/1036746963.db2.gz ALKIZYYWGRHTMM-GOSISDBHSA-N 1 2 364.449 2.976 20 30 FFEDLO Cc1nc(O[C@H]2CO[C@H]3OCC[C@@H]23)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229768159 1036881481 /nfs/dbraw/zinc/88/14/81/1036881481.db2.gz KGXJLDAWBBGECH-RIFZZMRRSA-N 1 2 362.389 2.717 20 30 FFEDLO N#Cc1ccc(I)c(O[C@H]2C[NH+]3CCC2CC3)c1 ZINC001234431903 1037035648 /nfs/dbraw/zinc/03/56/48/1037035648.db2.gz YNHLAXZINPXKBE-AWEZNQCLSA-N 1 2 354.191 2.636 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](OCC)C(=C)C)C1 ZINC001207255106 1037285711 /nfs/dbraw/zinc/28/57/11/1037285711.db2.gz FAKXPJRAPBPQGO-BPLDGKMQSA-N 1 2 359.308 2.703 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](OCC)C(=C)C)C1 ZINC001207255106 1037285724 /nfs/dbraw/zinc/28/57/24/1037285724.db2.gz FAKXPJRAPBPQGO-BPLDGKMQSA-N 1 2 359.308 2.703 20 30 FFEDLO CC(C)(C)OC(=O)NC12CC(C[N@@H+]3CCC4SC(=O)C=C4C3)(C1)C2 ZINC001207262458 1037295719 /nfs/dbraw/zinc/29/57/19/1037295719.db2.gz OGUIYFUQMUXTDL-TZYSRNFLSA-N 1 2 350.484 2.708 20 30 FFEDLO CC(C)(C)OC(=O)NC12CC(C[N@H+]3CCC4SC(=O)C=C4C3)(C1)C2 ZINC001207262458 1037295732 /nfs/dbraw/zinc/29/57/32/1037295732.db2.gz OGUIYFUQMUXTDL-TZYSRNFLSA-N 1 2 350.484 2.708 20 30 FFEDLO CC(C)(C)OC(=O)NC12CC(C[N@@H+]3CC[C@@H]4SC(=O)C=C4C3)(C1)C2 ZINC001207262458 1037295746 /nfs/dbraw/zinc/29/57/46/1037295746.db2.gz OGUIYFUQMUXTDL-TZYSRNFLSA-N 1 2 350.484 2.708 20 30 FFEDLO CC(C)(C)OC(=O)NC12CC(C[N@H+]3CC[C@@H]4SC(=O)C=C4C3)(C1)C2 ZINC001207262458 1037295761 /nfs/dbraw/zinc/29/57/61/1037295761.db2.gz OGUIYFUQMUXTDL-TZYSRNFLSA-N 1 2 350.484 2.708 20 30 FFEDLO C=CC(=O)OC[C@H](COC(=O)C(=C)C)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231079569 1037460102 /nfs/dbraw/zinc/46/01/02/1037460102.db2.gz KRTQZMLFQOXAIF-QGZVFWFLSA-N 1 2 370.405 2.683 20 30 FFEDLO COC(=O)c1c(OC)nsc1C[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC001207549902 1037542205 /nfs/dbraw/zinc/54/22/05/1037542205.db2.gz ZKUHXTAFDGZQOO-UHFFFAOYSA-N 1 2 363.464 2.822 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001574649763 1078047221 /nfs/dbraw/zinc/04/72/21/1078047221.db2.gz XJYPXSPWRUHLRB-UWVAXJGDSA-N 1 2 358.486 2.688 20 30 FFEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(F)c(F)c1Cl)CC2 ZINC001277958719 1037657830 /nfs/dbraw/zinc/65/78/30/1037657830.db2.gz QDYXOYUIAUVSDX-ZDUSSCGKSA-N 1 2 352.812 2.970 20 30 FFEDLO N#Cc1cc(F)c(C[NH+]2CCC(Oc3ccc(C(N)=O)cc3)CC2)c(F)c1 ZINC001235660220 1037670693 /nfs/dbraw/zinc/67/06/93/1037670693.db2.gz FERBFIOZSHGHES-UHFFFAOYSA-N 1 2 371.387 2.979 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+]1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001231619772 1037738624 /nfs/dbraw/zinc/73/86/24/1037738624.db2.gz ZYYRISAJPDFAGH-GOSISDBHSA-N 1 2 366.465 2.822 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+]1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001231619772 1037738639 /nfs/dbraw/zinc/73/86/39/1037738639.db2.gz ZYYRISAJPDFAGH-GOSISDBHSA-N 1 2 366.465 2.822 20 30 FFEDLO N#CCCCN1CC2(C[NH+](Cc3cccc4sccc43)C2)OCC1=O ZINC001277546947 1037821941 /nfs/dbraw/zinc/82/19/41/1037821941.db2.gz CPFUVNJPFZCXSY-UHFFFAOYSA-N 1 2 355.463 2.618 20 30 FFEDLO CC(=O)[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C#N)c(Cl)c1)CC2 ZINC001277596951 1038088632 /nfs/dbraw/zinc/08/86/32/1038088632.db2.gz RHRWLVIQVJEDMK-SUMWQHHRSA-N 1 2 373.884 2.907 20 30 FFEDLO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C)cc1C#N ZINC001278006956 1038247515 /nfs/dbraw/zinc/24/75/15/1038247515.db2.gz VKIRAVGGFIJZAG-IERDGZPVSA-N 1 2 353.466 2.801 20 30 FFEDLO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C)cc1C#N ZINC001278006956 1038247527 /nfs/dbraw/zinc/24/75/27/1038247527.db2.gz VKIRAVGGFIJZAG-IERDGZPVSA-N 1 2 353.466 2.801 20 30 FFEDLO CCC[C@H](OCC)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208366544 1038255761 /nfs/dbraw/zinc/25/57/61/1038255761.db2.gz DOQMJKHTDDGHQR-ZMYBRWDISA-N 1 2 361.461 2.839 20 30 FFEDLO CCC[C@H](OCC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208366544 1038255774 /nfs/dbraw/zinc/25/57/74/1038255774.db2.gz DOQMJKHTDDGHQR-ZMYBRWDISA-N 1 2 361.461 2.839 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1Br ZINC001236863825 1038317267 /nfs/dbraw/zinc/31/72/67/1038317267.db2.gz OGUDMXIQHUSCED-UHFFFAOYSA-N 1 2 362.271 2.811 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)CCC3)C[C@H]1C ZINC001208458552 1038327117 /nfs/dbraw/zinc/32/71/17/1038327117.db2.gz NUWNWJCAWMJECJ-OXQOHEQNSA-N 1 2 369.509 2.907 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)CCC3)C[C@H]1C ZINC001208458552 1038327126 /nfs/dbraw/zinc/32/71/26/1038327126.db2.gz NUWNWJCAWMJECJ-OXQOHEQNSA-N 1 2 369.509 2.907 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2F)C[C@H]1C ZINC001208458298 1038329114 /nfs/dbraw/zinc/32/91/14/1038329114.db2.gz BYNMLVQOZOXGKI-RVKKMQEKSA-N 1 2 361.461 2.946 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2F)C[C@H]1C ZINC001208458298 1038329126 /nfs/dbraw/zinc/32/91/26/1038329126.db2.gz BYNMLVQOZOXGKI-RVKKMQEKSA-N 1 2 361.461 2.946 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)CC=C)C2)c1 ZINC001208953960 1038604384 /nfs/dbraw/zinc/60/43/84/1038604384.db2.gz CNBILRQYYBFDQB-VQIMIIECSA-N 1 2 367.493 2.645 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)CC=C)C2)c1 ZINC001208953960 1038604394 /nfs/dbraw/zinc/60/43/94/1038604394.db2.gz CNBILRQYYBFDQB-VQIMIIECSA-N 1 2 367.493 2.645 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC001208955057 1038606520 /nfs/dbraw/zinc/60/65/20/1038606520.db2.gz YYLIKBDSFIFUIO-ZIAGYGMSSA-N 1 2 358.442 2.868 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC001208955057 1038606525 /nfs/dbraw/zinc/60/65/25/1038606525.db2.gz YYLIKBDSFIFUIO-ZIAGYGMSSA-N 1 2 358.442 2.868 20 30 FFEDLO C=CCN(CC[N@@H+]1CC[C@](F)(CNC(=O)OC(C)(C)C)C1)C(=O)OCC ZINC001209024440 1038638075 /nfs/dbraw/zinc/63/80/75/1038638075.db2.gz RRELVTIZDJKYDO-SFHVURJKSA-N 1 2 373.469 2.570 20 30 FFEDLO C=CCN(CC[N@H+]1CC[C@](F)(CNC(=O)OC(C)(C)C)C1)C(=O)OCC ZINC001209024440 1038638081 /nfs/dbraw/zinc/63/80/81/1038638081.db2.gz RRELVTIZDJKYDO-SFHVURJKSA-N 1 2 373.469 2.570 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cn3cccc(C)c3n1)CC2 ZINC001209736295 1039171207 /nfs/dbraw/zinc/17/12/07/1039171207.db2.gz QBXGUACINBWPLG-UHFFFAOYSA-N 1 2 351.454 2.637 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cn3cccc(C)c3n1)CC2 ZINC001209736295 1039171220 /nfs/dbraw/zinc/17/12/20/1039171220.db2.gz QBXGUACINBWPLG-UHFFFAOYSA-N 1 2 351.454 2.637 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ncc(C)o3)C[C@H]2C)CCOCC1 ZINC001210679670 1039665982 /nfs/dbraw/zinc/66/59/82/1039665982.db2.gz HOHQIPOLEBSKQJ-HYVNUMGLSA-N 1 2 361.486 2.853 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ncc(C)o3)C[C@H]2C)CCOCC1 ZINC001210679670 1039665987 /nfs/dbraw/zinc/66/59/87/1039665987.db2.gz HOHQIPOLEBSKQJ-HYVNUMGLSA-N 1 2 361.486 2.853 20 30 FFEDLO C=CCOC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@H](O)CCC ZINC001252801714 1039709530 /nfs/dbraw/zinc/70/95/30/1039709530.db2.gz AGSUPRVRQMCQKQ-CVEARBPZSA-N 1 2 372.506 2.530 20 30 FFEDLO C=CCOC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)CCC ZINC001252801715 1039709964 /nfs/dbraw/zinc/70/99/64/1039709964.db2.gz AGSUPRVRQMCQKQ-HOTGVXAUSA-N 1 2 372.506 2.530 20 30 FFEDLO Cn1cc(CN2CCC3(C[NH+](Cc4c(O)cccc4Cl)C3)C2)cc1C#N ZINC001278490752 1039867957 /nfs/dbraw/zinc/86/79/57/1039867957.db2.gz LIWPVRMBVBOXDC-UHFFFAOYSA-N 1 2 370.884 2.964 20 30 FFEDLO C=CCOc1cccc(C[NH+]2CC3(C2)COCC(=O)N3CC=C(C)C)c1 ZINC001276692953 1039909428 /nfs/dbraw/zinc/90/94/28/1039909428.db2.gz LYYREAWIWZBFLB-UHFFFAOYSA-N 1 2 356.466 2.631 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[N@H+]1CCc2c(nnn2C)[C@@H]1COCC=C ZINC001253235968 1040060677 /nfs/dbraw/zinc/06/06/77/1040060677.db2.gz PMOOCLUSWSGDKQ-MJGOQNOKSA-N 1 2 362.518 2.804 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1CCc2c(nnn2C)[C@@H]1COCC=C ZINC001253235968 1040060686 /nfs/dbraw/zinc/06/06/86/1040060686.db2.gz PMOOCLUSWSGDKQ-MJGOQNOKSA-N 1 2 362.518 2.804 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3nccn3CC)C[C@H]2C)CCCCC1 ZINC001211410774 1040168862 /nfs/dbraw/zinc/16/88/62/1040168862.db2.gz HOHUYVSYPJOULK-QZTJIDSGSA-N 1 2 356.514 2.813 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3nccn3CC)C[C@H]2C)CCCCC1 ZINC001211410774 1040168867 /nfs/dbraw/zinc/16/88/67/1040168867.db2.gz HOHUYVSYPJOULK-QZTJIDSGSA-N 1 2 356.514 2.813 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1C ZINC001211428145 1040187554 /nfs/dbraw/zinc/18/75/54/1040187554.db2.gz WIQMKVZFYDOKDU-JTDSTZFVSA-N 1 2 369.465 2.869 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1C ZINC001211428145 1040187563 /nfs/dbraw/zinc/18/75/63/1040187563.db2.gz WIQMKVZFYDOKDU-JTDSTZFVSA-N 1 2 369.465 2.869 20 30 FFEDLO CC[N@H+](CCC#N)Cc1cc(I)cc(OC)c1O ZINC001248401129 1040259396 /nfs/dbraw/zinc/25/93/96/1040259396.db2.gz NSUVUAIGIMDCPP-UHFFFAOYSA-N 1 2 360.195 2.741 20 30 FFEDLO CC[N@@H+](CCC#N)Cc1cc(I)cc(OC)c1O ZINC001248401129 1040259412 /nfs/dbraw/zinc/25/94/12/1040259412.db2.gz NSUVUAIGIMDCPP-UHFFFAOYSA-N 1 2 360.195 2.741 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001213269377 1040394710 /nfs/dbraw/zinc/39/47/10/1040394710.db2.gz NEIBPAQKBQACEY-QZTJIDSGSA-N 1 2 359.495 2.519 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001213269377 1040394730 /nfs/dbraw/zinc/39/47/30/1040394730.db2.gz NEIBPAQKBQACEY-QZTJIDSGSA-N 1 2 359.495 2.519 20 30 FFEDLO C=CCOc1cccc(C[NH+]2CC3(C2)COCC(=O)N3C2CCCC2)c1 ZINC001276701385 1040499800 /nfs/dbraw/zinc/49/98/00/1040499800.db2.gz IFHKWKGKTMUNEC-UHFFFAOYSA-N 1 2 356.466 2.607 20 30 FFEDLO Cc1cc(C)nc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)n1 ZINC001248982698 1040542093 /nfs/dbraw/zinc/54/20/93/1040542093.db2.gz LGLYPQHEUXOXAH-UHFFFAOYSA-N 1 2 364.453 2.751 20 30 FFEDLO Cc1cccc(Cl)c1C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001278792031 1040781320 /nfs/dbraw/zinc/78/13/20/1040781320.db2.gz RJSZTJUUGVXJRZ-UHFFFAOYSA-N 1 2 368.868 2.817 20 30 FFEDLO CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213806921 1040936754 /nfs/dbraw/zinc/93/67/54/1040936754.db2.gz OASQMEDPPSCUPI-RTBURBONSA-N 1 2 361.461 2.983 20 30 FFEDLO CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213806921 1040936760 /nfs/dbraw/zinc/93/67/60/1040936760.db2.gz OASQMEDPPSCUPI-RTBURBONSA-N 1 2 361.461 2.983 20 30 FFEDLO CC[C@@H](CC#N)[N@H+]1CCc2nc(C(=O)Nc3cccnc3)sc2CC1 ZINC001255167759 1041178886 /nfs/dbraw/zinc/17/88/86/1041178886.db2.gz HBMNQAAPIHRJIB-AWEZNQCLSA-N 1 2 355.467 2.883 20 30 FFEDLO CC[C@@H](CC#N)[N@@H+]1CCc2nc(C(=O)Nc3cccnc3)sc2CC1 ZINC001255167759 1041178890 /nfs/dbraw/zinc/17/88/90/1041178890.db2.gz HBMNQAAPIHRJIB-AWEZNQCLSA-N 1 2 355.467 2.883 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C(F)F)s2)C1 ZINC001214466542 1041449758 /nfs/dbraw/zinc/44/97/58/1041449758.db2.gz QOTVCMHVUWLVKP-VXGBXAGGSA-N 1 2 356.442 2.606 20 30 FFEDLO C#CCC1(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)c3nc(C4CC4)no3)C2)CCC1 ZINC001214833805 1041588557 /nfs/dbraw/zinc/58/85/57/1041588557.db2.gz HVRUGZFGQUYQMC-IJEWVQPXSA-N 1 2 356.470 2.638 20 30 FFEDLO CCN(CCc1ccccc1)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001262873655 1041918737 /nfs/dbraw/zinc/91/87/37/1041918737.db2.gz OUAMVPBLZTYVHJ-UHFFFAOYSA-N 1 2 366.513 2.977 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(SC)CC1 ZINC001262941284 1041977604 /nfs/dbraw/zinc/97/76/04/1041977604.db2.gz HOZDVSZDBBROIV-MRXNPFEDSA-N 1 2 365.547 2.578 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(SC)CC1 ZINC001262941284 1041977609 /nfs/dbraw/zinc/97/76/09/1041977609.db2.gz HOZDVSZDBBROIV-MRXNPFEDSA-N 1 2 365.547 2.578 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC(c2ccsc2)CC1 ZINC001262947216 1041981613 /nfs/dbraw/zinc/98/16/13/1041981613.db2.gz HOAULOUIWZIPMG-IRXDYDNUSA-N 1 2 373.526 2.647 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC(c2ccsc2)CC1 ZINC001262947216 1041981620 /nfs/dbraw/zinc/98/16/20/1041981620.db2.gz HOAULOUIWZIPMG-IRXDYDNUSA-N 1 2 373.526 2.647 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)Cc1ccc(Cl)s1 ZINC001262947130 1041982382 /nfs/dbraw/zinc/98/23/82/1041982382.db2.gz GCVNMVJBVCZYST-WCQYABFASA-N 1 2 367.906 2.553 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)Cc1ccc(Cl)s1 ZINC001262947130 1041982387 /nfs/dbraw/zinc/98/23/87/1041982387.db2.gz GCVNMVJBVCZYST-WCQYABFASA-N 1 2 367.906 2.553 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2CC2CCCC2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001262988096 1042011635 /nfs/dbraw/zinc/01/16/35/1042011635.db2.gz LOZRPRJAVGIGKX-LVCYWYKZSA-N 1 2 373.545 2.925 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2CC2CCCC2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001262988096 1042011644 /nfs/dbraw/zinc/01/16/44/1042011644.db2.gz LOZRPRJAVGIGKX-LVCYWYKZSA-N 1 2 373.545 2.925 20 30 FFEDLO C=CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CC)no2)C1)c1ccccc1 ZINC001216806340 1042128412 /nfs/dbraw/zinc/12/84/12/1042128412.db2.gz LFLGZDJTTRHXNZ-KBAYOESNSA-N 1 2 368.481 2.928 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H](OCCC)CC1 ZINC001263288174 1042223067 /nfs/dbraw/zinc/22/30/67/1042223067.db2.gz JCKSIHIOYZDGGK-KRWDZBQOSA-N 1 2 372.517 2.964 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@H](C)[C@H](C)[C@@H]1C ZINC001263316233 1042237096 /nfs/dbraw/zinc/23/70/96/1042237096.db2.gz PNXUSWPYCKHKJZ-ULQDDVLXSA-N 1 2 361.534 2.539 20 30 FFEDLO C=C(C)Cn1c(CCOC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001263341548 1042250424 /nfs/dbraw/zinc/25/04/24/1042250424.db2.gz RGNPQGGQQLPEJU-UHFFFAOYSA-N 1 2 356.474 2.519 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CC[C@@H](CF)C1 ZINC001263343007 1042251451 /nfs/dbraw/zinc/25/14/51/1042251451.db2.gz LTSLFSHKLBMTTJ-ULQDDVLXSA-N 1 2 363.481 2.576 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CC[C@@H](CF)C1 ZINC001263343007 1042251453 /nfs/dbraw/zinc/25/14/53/1042251453.db2.gz LTSLFSHKLBMTTJ-ULQDDVLXSA-N 1 2 363.481 2.576 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@@H](C#N)C1 ZINC001263394698 1042278465 /nfs/dbraw/zinc/27/84/65/1042278465.db2.gz CBZCFWQMKMKNNJ-BZSNNMDCSA-N 1 2 372.517 2.600 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@@H](C#N)C1 ZINC001263394698 1042278467 /nfs/dbraw/zinc/27/84/67/1042278467.db2.gz CBZCFWQMKMKNNJ-BZSNNMDCSA-N 1 2 372.517 2.600 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)[C@@H](C)CC#N ZINC001263394897 1042278624 /nfs/dbraw/zinc/27/86/24/1042278624.db2.gz IUROEVLQXCNZKK-ULQDDVLXSA-N 1 2 360.506 2.598 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)[C@@H](C)CC#N ZINC001263394897 1042278627 /nfs/dbraw/zinc/27/86/27/1042278627.db2.gz IUROEVLQXCNZKK-ULQDDVLXSA-N 1 2 360.506 2.598 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2nonc2C)C[C@H]1c1ccccc1 ZINC001263884516 1042507668 /nfs/dbraw/zinc/50/76/68/1042507668.db2.gz RWNKBTLEGIQMOI-PKOBYXMFSA-N 1 2 354.454 2.819 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2nonc2C)C[C@H]1c1ccccc1 ZINC001263884516 1042507673 /nfs/dbraw/zinc/50/76/73/1042507673.db2.gz RWNKBTLEGIQMOI-PKOBYXMFSA-N 1 2 354.454 2.819 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ncc(C(C)C)o2)C1 ZINC001263938699 1042544782 /nfs/dbraw/zinc/54/47/82/1042544782.db2.gz ZZMIHZYCRKFTRP-DLBZAZTESA-N 1 2 371.485 2.582 20 30 FFEDLO Cc1nc([C@H](C)[NH2+]CCC[C@@H]2[C@H](C)CCCN2C(=O)C#CC2CC2)no1 ZINC001264018068 1042584582 /nfs/dbraw/zinc/58/45/82/1042584582.db2.gz VQRXHSOMAFSFGX-RVKKMQEKSA-N 1 2 358.486 2.849 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cn(CC)nn2)C[C@H]1c1ccccc1 ZINC001264446599 1042674426 /nfs/dbraw/zinc/67/44/26/1042674426.db2.gz DTGIRUBIELONNH-VQTJNVASSA-N 1 2 367.497 2.739 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cn(CC)nn2)C[C@H]1c1ccccc1 ZINC001264446599 1042674430 /nfs/dbraw/zinc/67/44/30/1042674430.db2.gz DTGIRUBIELONNH-VQTJNVASSA-N 1 2 367.497 2.739 20 30 FFEDLO C=C[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2noc(CC)n2)C1)c1ccccc1 ZINC001264492463 1042696328 /nfs/dbraw/zinc/69/63/28/1042696328.db2.gz RTVNIMCCZJSSPY-JQHSSLGASA-N 1 2 368.481 2.976 20 30 FFEDLO C=C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cnn(CC)n2)[C@@H]1CC)c1ccccc1 ZINC001264625717 1042757320 /nfs/dbraw/zinc/75/73/20/1042757320.db2.gz JYOMJTAEOJOBTC-SLFFLAALSA-N 1 2 367.497 2.737 20 30 FFEDLO C=C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cnn(CC)n2)[C@@H]1CC)c1ccccc1 ZINC001264625717 1042757322 /nfs/dbraw/zinc/75/73/22/1042757322.db2.gz JYOMJTAEOJOBTC-SLFFLAALSA-N 1 2 367.497 2.737 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001264717857 1042799563 /nfs/dbraw/zinc/79/95/63/1042799563.db2.gz NLKPILPPBSANEU-CCKFTAQKSA-N 1 2 361.461 2.837 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001264717857 1042799568 /nfs/dbraw/zinc/79/95/68/1042799568.db2.gz NLKPILPPBSANEU-CCKFTAQKSA-N 1 2 361.461 2.837 20 30 FFEDLO N#Cc1cccc(CN2C[C@@H]3C[N@@H+](Cc4ccc[nH]4)C[C@H](C2)O3)c1Cl ZINC001279320588 1042999184 /nfs/dbraw/zinc/99/91/84/1042999184.db2.gz UUEWZWQEUPUVSJ-HDICACEKSA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4ccc[nH]4)C[C@H](C2)O3)c1Cl ZINC001279320588 1042999186 /nfs/dbraw/zinc/99/91/86/1042999186.db2.gz UUEWZWQEUPUVSJ-HDICACEKSA-N 1 2 356.857 2.625 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccccc1NC(C)=O ZINC001237410107 1043145987 /nfs/dbraw/zinc/14/59/87/1043145987.db2.gz MDORBMGTQNMIEF-IBGZPJMESA-N 1 2 354.454 2.681 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccccc1NC(C)=O ZINC001237410107 1043145996 /nfs/dbraw/zinc/14/59/96/1043145996.db2.gz MDORBMGTQNMIEF-IBGZPJMESA-N 1 2 354.454 2.681 20 30 FFEDLO N#Cc1ccc(CN2CC3(C2)C[NH+](Cc2cccc(=O)[nH]2)C3)cc1Cl ZINC001279470565 1043154003 /nfs/dbraw/zinc/15/40/03/1043154003.db2.gz PATDIBKSLVXYEA-UHFFFAOYSA-N 1 2 354.841 2.630 20 30 FFEDLO CCN(CC)C(=O)NC1CC[NH+](Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237535649 1043224755 /nfs/dbraw/zinc/22/47/55/1043224755.db2.gz BQAIUMGVUNNGNZ-UHFFFAOYSA-N 1 2 350.413 2.852 20 30 FFEDLO CCc1csc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cc(C#N)n(C)c2)n1 ZINC001279607123 1043330545 /nfs/dbraw/zinc/33/05/45/1043330545.db2.gz CSXKZJNBYSIKEG-ROUUACIJSA-N 1 2 355.511 2.764 20 30 FFEDLO CCc1csc(C[N@H+]2CC[C@H]3[C@@H]2CCN3Cc2cc(C#N)n(C)c2)n1 ZINC001279607123 1043330554 /nfs/dbraw/zinc/33/05/54/1043330554.db2.gz CSXKZJNBYSIKEG-ROUUACIJSA-N 1 2 355.511 2.764 20 30 FFEDLO C=CCC1(S(=O)(=O)Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)CC1 ZINC001237985802 1043468899 /nfs/dbraw/zinc/46/88/99/1043468899.db2.gz LDCBTJGRMYPFDA-HNNXBMFYSA-N 1 2 372.437 2.913 20 30 FFEDLO Cc1c(F)c(F)ccc1CN1CC2(CC[N@H+]2Cc2cc(C#N)n(C)c2)C1 ZINC001279689728 1043473361 /nfs/dbraw/zinc/47/33/61/1043473361.db2.gz WRMUFQVBWCTLGZ-UHFFFAOYSA-N 1 2 356.420 2.944 20 30 FFEDLO Cc1c(F)c(F)ccc1CN1CC2(CC[N@@H+]2Cc2cc(C#N)n(C)c2)C1 ZINC001279689728 1043473364 /nfs/dbraw/zinc/47/33/64/1043473364.db2.gz WRMUFQVBWCTLGZ-UHFFFAOYSA-N 1 2 356.420 2.944 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C[C@H]1O ZINC001238087289 1043526102 /nfs/dbraw/zinc/52/61/02/1043526102.db2.gz YLLJQBGXJSGFAG-HZPDHXFCSA-N 1 2 365.861 2.672 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@H]1O ZINC001238087289 1043526109 /nfs/dbraw/zinc/52/61/09/1043526109.db2.gz YLLJQBGXJSGFAG-HZPDHXFCSA-N 1 2 365.861 2.672 20 30 FFEDLO N#CC1(NC(=O)[C@H]2CC23C[NH+](Cc2ccc(Br)cc2)C3)CCC1 ZINC001279738025 1043559630 /nfs/dbraw/zinc/55/96/30/1043559630.db2.gz WKNZXKRBISUFBL-OAHLLOKOSA-N 1 2 374.282 2.833 20 30 FFEDLO CC(C)C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC001309889186 1043574277 /nfs/dbraw/zinc/57/42/77/1043574277.db2.gz JLACOAVBTHXCFB-CQSZACIVSA-N 1 2 355.891 2.562 20 30 FFEDLO CC(C)C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC001309889186 1043574288 /nfs/dbraw/zinc/57/42/88/1043574288.db2.gz JLACOAVBTHXCFB-CQSZACIVSA-N 1 2 355.891 2.562 20 30 FFEDLO CCc1ccc([C@@H]2CN(S(=O)(=O)c3ccc(C)cc3C#N)CC[NH2+]2)cc1 ZINC001309972842 1043618578 /nfs/dbraw/zinc/61/85/78/1043618578.db2.gz XKLMDDLWGRZTJM-IBGZPJMESA-N 1 2 369.490 2.764 20 30 FFEDLO N#Cc1ccccc1OC1CC[NH+](Cc2cn(-c3cnccn3)cn2)CC1 ZINC001238819784 1043912585 /nfs/dbraw/zinc/91/25/85/1043912585.db2.gz KCAUBCONIZIGJR-UHFFFAOYSA-N 1 2 360.421 2.577 20 30 FFEDLO CN(C)/C=[NH+]/c1ccc(-c2cccc(S(=O)(=O)N(C)C)c2)cc1C#N ZINC001239237740 1044082054 /nfs/dbraw/zinc/08/20/54/1044082054.db2.gz YJLFSLSVAQRTKD-DEDYPNTBSA-N 1 2 356.451 2.697 20 30 FFEDLO Fc1cc(F)c(F)c(NC(=S)N2CC[NH2+]C[C@@H]2C(F)(F)F)c1F ZINC001239461602 1044126221 /nfs/dbraw/zinc/12/62/21/1044126221.db2.gz RTXUJUHHKYBUDF-SSDOTTSWSA-N 1 2 361.286 2.776 20 30 FFEDLO CCc1ccccc1C[NH+]1CC2(C1)CC[C@H](C(=O)NC1(C#N)CCC1)O2 ZINC001280097731 1044201443 /nfs/dbraw/zinc/20/14/43/1044201443.db2.gz YCKGQADWGOVOQS-GOSISDBHSA-N 1 2 353.466 2.545 20 30 FFEDLO C=CCn1ccc2c1ncnc2-c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001240448736 1044344616 /nfs/dbraw/zinc/34/46/16/1044344616.db2.gz QATCYJVTQWIOKU-UHFFFAOYSA-N 1 2 364.449 2.995 20 30 FFEDLO O=C(OCc1ccccc1-c1ccn2cc[nH+]c2c1)ON1C(=O)CCC1=O ZINC001240510787 1044373539 /nfs/dbraw/zinc/37/35/39/1044373539.db2.gz SILFWULGCJQRAM-UHFFFAOYSA-N 1 2 365.345 2.719 20 30 FFEDLO CC1=C[C@@H](C)[C@H](C[N@@H+]2Cc3[nH]nc(C(=O)N4CC(CC#N)C4)c3C2)CC1 ZINC001280232569 1044433826 /nfs/dbraw/zinc/43/38/26/1044433826.db2.gz WOQFVLDRDOYNBP-ZBFHGGJFSA-N 1 2 353.470 2.703 20 30 FFEDLO CC1=C[C@@H](C)[C@H](C[N@H+]2Cc3[nH]nc(C(=O)N4CC(CC#N)C4)c3C2)CC1 ZINC001280232569 1044433832 /nfs/dbraw/zinc/43/38/32/1044433832.db2.gz WOQFVLDRDOYNBP-ZBFHGGJFSA-N 1 2 353.470 2.703 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3ccc(F)c(CC#N)c3)cn2)CC1 ZINC001241560842 1044548350 /nfs/dbraw/zinc/54/83/50/1044548350.db2.gz QRQDUCISZIYFNL-UHFFFAOYSA-N 1 2 353.445 2.613 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3ccc(C(C)(C)C#N)nc3)cn2)CC1 ZINC001241561297 1044548778 /nfs/dbraw/zinc/54/87/78/1044548778.db2.gz VIAZVQMGKFYMRE-UHFFFAOYSA-N 1 2 364.497 2.604 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3cccc4[nH]cc(CC#N)c43)cn2)CC1 ZINC001241567811 1044552711 /nfs/dbraw/zinc/55/27/11/1044552711.db2.gz FLFSNTHKIIHFOI-UHFFFAOYSA-N 1 2 374.492 2.955 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3ccc4cc(C#N)cnc4c3)cn2)CC1 ZINC001241567828 1044553934 /nfs/dbraw/zinc/55/39/34/1044553934.db2.gz GJEJMHZYEYLDHK-UHFFFAOYSA-N 1 2 372.476 2.828 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001316722905 1044840579 /nfs/dbraw/zinc/84/05/79/1044840579.db2.gz PBRWNIHSWPYBLG-DFQSSKMNSA-N 1 2 371.525 2.555 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001316722905 1044840599 /nfs/dbraw/zinc/84/05/99/1044840599.db2.gz PBRWNIHSWPYBLG-DFQSSKMNSA-N 1 2 371.525 2.555 20 30 FFEDLO COC(=O)c1cc(C#N)ccc1-c1cc(F)ccc1C[NH+]1CCOCC1 ZINC001243085252 1044858218 /nfs/dbraw/zinc/85/82/18/1044858218.db2.gz MYHYWIQYDIFBHV-UHFFFAOYSA-N 1 2 354.381 2.983 20 30 FFEDLO CCc1ccc(-c2noc(C[N@@H+]3CC[C@H](NC(=O)[C@H](C)C#N)[C@H]3C)n2)cc1 ZINC001316778398 1044936207 /nfs/dbraw/zinc/93/62/07/1044936207.db2.gz MPFRDZUSLXOPID-CPUCHLNUSA-N 1 2 367.453 2.538 20 30 FFEDLO CCc1ccc(-c2noc(C[N@H+]3CC[C@H](NC(=O)[C@H](C)C#N)[C@H]3C)n2)cc1 ZINC001316778398 1044936231 /nfs/dbraw/zinc/93/62/31/1044936231.db2.gz MPFRDZUSLXOPID-CPUCHLNUSA-N 1 2 367.453 2.538 20 30 FFEDLO CCC[C@@H](OCC)C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001316789593 1044980940 /nfs/dbraw/zinc/98/09/40/1044980940.db2.gz ADLFDSFDTNRZAM-MDASCCDHSA-N 1 2 361.461 2.982 20 30 FFEDLO CCC[C@@H](OCC)C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001316789593 1044980953 /nfs/dbraw/zinc/98/09/53/1044980953.db2.gz ADLFDSFDTNRZAM-MDASCCDHSA-N 1 2 361.461 2.982 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)COc2ccccc2)[C@H]1C ZINC001316797654 1045013603 /nfs/dbraw/zinc/01/36/03/1045013603.db2.gz OONCTNWLEHIZMM-HIFRSBDPSA-N 1 2 353.260 2.553 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)COc2ccccc2)[C@H]1C ZINC001316797654 1045013616 /nfs/dbraw/zinc/01/36/16/1045013616.db2.gz OONCTNWLEHIZMM-HIFRSBDPSA-N 1 2 353.260 2.553 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CCC2(OC)CCC2)CC1 ZINC001539430545 1070637030 /nfs/dbraw/zinc/63/70/30/1070637030.db2.gz JMPAJZWWTMBYSX-KRWDZBQOSA-N 1 2 359.518 2.506 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)c(OC)cc2OC)C1 ZINC001320322757 1045390304 /nfs/dbraw/zinc/39/03/04/1045390304.db2.gz YOWDCOBMUSJKLE-LBPRGKRZSA-N 1 2 354.834 2.573 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)c(OC)cc2OC)C1 ZINC001320322757 1045390308 /nfs/dbraw/zinc/39/03/08/1045390308.db2.gz YOWDCOBMUSJKLE-LBPRGKRZSA-N 1 2 354.834 2.573 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001282219015 1045429949 /nfs/dbraw/zinc/42/99/49/1045429949.db2.gz QEGUEHFWAWADIC-ZACQAIPSSA-N 1 2 360.502 2.688 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1 ZINC001320898885 1045490805 /nfs/dbraw/zinc/49/08/05/1045490805.db2.gz NPXHURFJAWFBIN-MRXNPFEDSA-N 1 2 374.872 2.800 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1 ZINC001320898885 1045490807 /nfs/dbraw/zinc/49/08/07/1045490807.db2.gz NPXHURFJAWFBIN-MRXNPFEDSA-N 1 2 374.872 2.800 20 30 FFEDLO C=CC[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)C(=O)OCC ZINC001321037593 1045518860 /nfs/dbraw/zinc/51/88/60/1045518860.db2.gz OSSIOMRIWMWSHE-ZWKOTPCHSA-N 1 2 362.445 2.804 20 30 FFEDLO C=CC[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)C(=O)OCC ZINC001321037593 1045518866 /nfs/dbraw/zinc/51/88/66/1045518866.db2.gz OSSIOMRIWMWSHE-ZWKOTPCHSA-N 1 2 362.445 2.804 20 30 FFEDLO C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001539656172 1070674629 /nfs/dbraw/zinc/67/46/29/1070674629.db2.gz UQOZFDNXWKRWPL-INIZCTEOSA-N 1 2 373.501 2.970 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1 ZINC001323730072 1045700049 /nfs/dbraw/zinc/70/00/49/1045700049.db2.gz QLDTZPHPDBEVDD-GFCCVEGCSA-N 1 2 368.359 2.797 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1 ZINC001323730072 1045700060 /nfs/dbraw/zinc/70/00/60/1045700060.db2.gz QLDTZPHPDBEVDD-GFCCVEGCSA-N 1 2 368.359 2.797 20 30 FFEDLO CCOc1ccc(N2CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1 ZINC001323178493 1046374229 /nfs/dbraw/zinc/37/42/29/1046374229.db2.gz WJEFIHXZIILHLX-UWJYYQICSA-N 1 2 372.513 2.650 20 30 FFEDLO C=CCC1(C(=O)N[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)CCCC1 ZINC001283948869 1046457294 /nfs/dbraw/zinc/45/72/94/1046457294.db2.gz JOORCNZRYGJCNA-ZACQAIPSSA-N 1 2 370.497 2.661 20 30 FFEDLO C=CCC1(C(=O)N[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)CCCC1 ZINC001283948869 1046457301 /nfs/dbraw/zinc/45/73/01/1046457301.db2.gz JOORCNZRYGJCNA-ZACQAIPSSA-N 1 2 370.497 2.661 20 30 FFEDLO C=CC(C)(C)CC(=O)N(C)CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001284819674 1046660728 /nfs/dbraw/zinc/66/07/28/1046660728.db2.gz BETGRCNKPLQZSM-QZTJIDSGSA-N 1 2 363.546 2.628 20 30 FFEDLO C=C1CCN(c2nnc(-c3ccccn3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001286644052 1047145869 /nfs/dbraw/zinc/14/58/69/1047145869.db2.gz GHTAJYOBHGQRAH-UHFFFAOYSA-N 1 2 362.437 2.948 20 30 FFEDLO C=CC1CCN(c2nnc(C3CCC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001286660332 1047148735 /nfs/dbraw/zinc/14/87/35/1047148735.db2.gz IOJALSHRGLFEFF-INIZCTEOSA-N 1 2 359.518 2.669 20 30 FFEDLO C=CC1CCN(c2nnc(C3CCC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001286660332 1047148739 /nfs/dbraw/zinc/14/87/39/1047148739.db2.gz IOJALSHRGLFEFF-INIZCTEOSA-N 1 2 359.518 2.669 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nnc(C3CC3)o2)C[C@H]1c1ccccc1 ZINC001316643608 1047277169 /nfs/dbraw/zinc/27/71/69/1047277169.db2.gz XNMNLTRHDGATEE-ZWKOTPCHSA-N 1 2 366.465 2.997 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(C3CC3)o2)C[C@H]1c1ccccc1 ZINC001316643608 1047277178 /nfs/dbraw/zinc/27/71/78/1047277178.db2.gz XNMNLTRHDGATEE-ZWKOTPCHSA-N 1 2 366.465 2.997 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC001289314302 1047627437 /nfs/dbraw/zinc/62/74/37/1047627437.db2.gz URHNMFNHUDCTSD-VQIMIIECSA-N 1 2 366.465 2.805 20 30 FFEDLO C=CCc1cc(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)cc(OC)c1OC ZINC001331583038 1048022719 /nfs/dbraw/zinc/02/27/19/1048022719.db2.gz ZJTGHGOMIOHTOG-UHFFFAOYSA-N 1 2 357.454 2.989 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC(=C)Br ZINC001328764511 1048456755 /nfs/dbraw/zinc/45/67/55/1048456755.db2.gz BKJCZHKYPWEAET-JYJNAYRXSA-N 1 2 371.319 2.799 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC(=C)Br ZINC001328764511 1048456762 /nfs/dbraw/zinc/45/67/62/1048456762.db2.gz BKJCZHKYPWEAET-JYJNAYRXSA-N 1 2 371.319 2.799 20 30 FFEDLO CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291532101 1048697156 /nfs/dbraw/zinc/69/71/56/1048697156.db2.gz MJXWGEAWORGWAR-SQGPQFPESA-N 1 2 374.533 2.642 20 30 FFEDLO CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001291532101 1048697160 /nfs/dbraw/zinc/69/71/60/1048697160.db2.gz MJXWGEAWORGWAR-SQGPQFPESA-N 1 2 374.533 2.642 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCC[C@H](C)C2)CC1 ZINC001329695309 1048860672 /nfs/dbraw/zinc/86/06/72/1048860672.db2.gz ZBHNUOTXYQLEIX-GBESFXJTSA-N 1 2 371.529 2.711 20 30 FFEDLO C=C(C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001291913100 1048987796 /nfs/dbraw/zinc/98/77/96/1048987796.db2.gz IYEBOJHBOUYBPR-IKGGRYGDSA-N 1 2 358.486 2.531 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2nc(Cl)c(C#N)s2)C1 ZINC001334075745 1049234513 /nfs/dbraw/zinc/23/45/13/1049234513.db2.gz DSVZLGHAKPTNNK-JTQLQIEISA-N 1 2 364.862 2.888 20 30 FFEDLO CC(C)Cc1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001541422217 1071097732 /nfs/dbraw/zinc/09/77/32/1071097732.db2.gz GJGRPJYRMIGOGJ-OAHLLOKOSA-N 1 2 355.490 2.724 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@@H]3CCC[C@@H]32)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001341837546 1050448790 /nfs/dbraw/zinc/44/87/90/1050448790.db2.gz FZAQLRBFANIPNG-PFRQMTDMSA-N 1 2 359.518 2.535 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@@H]3CCC[C@@H]32)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001341837546 1050448792 /nfs/dbraw/zinc/44/87/92/1050448792.db2.gz FZAQLRBFANIPNG-PFRQMTDMSA-N 1 2 359.518 2.535 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCCC2(CC2)C1 ZINC001340195283 1050603005 /nfs/dbraw/zinc/60/30/05/1050603005.db2.gz KLPAICJTURJOSP-IRXDYDNUSA-N 1 2 357.502 2.770 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCCC2(CC2)C1 ZINC001340195283 1050603012 /nfs/dbraw/zinc/60/30/12/1050603012.db2.gz KLPAICJTURJOSP-IRXDYDNUSA-N 1 2 357.502 2.770 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001340206314 1050615420 /nfs/dbraw/zinc/61/54/20/1050615420.db2.gz YWVCTPHJHPJDIM-MSOLQXFVSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001340206314 1050615426 /nfs/dbraw/zinc/61/54/26/1050615426.db2.gz YWVCTPHJHPJDIM-MSOLQXFVSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(c2ccncn2)CC1 ZINC001340263579 1050668654 /nfs/dbraw/zinc/66/86/54/1050668654.db2.gz FGWYPMUODGCTNX-SFHVURJKSA-N 1 2 367.501 2.795 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(c2ccncn2)CC1 ZINC001340263579 1050668659 /nfs/dbraw/zinc/66/86/59/1050668659.db2.gz FGWYPMUODGCTNX-SFHVURJKSA-N 1 2 367.501 2.795 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(Cc1ccccc1F)C1CC1 ZINC001340373870 1050766688 /nfs/dbraw/zinc/76/66/88/1050766688.db2.gz GAPIERLCZXEXMX-WMZOPIPTSA-N 1 2 371.460 2.510 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(Cc1ccccc1F)C1CC1 ZINC001340373870 1050766699 /nfs/dbraw/zinc/76/66/99/1050766699.db2.gz GAPIERLCZXEXMX-WMZOPIPTSA-N 1 2 371.460 2.510 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(Cc1ccc(F)cc1)C(C)C ZINC001340376570 1050769620 /nfs/dbraw/zinc/76/96/20/1050769620.db2.gz WFSZGACNKLJGTM-QZTJIDSGSA-N 1 2 373.476 2.756 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(Cc1ccc(F)cc1)C(C)C ZINC001340376570 1050769628 /nfs/dbraw/zinc/76/96/28/1050769628.db2.gz WFSZGACNKLJGTM-QZTJIDSGSA-N 1 2 373.476 2.756 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001340492178 1050890396 /nfs/dbraw/zinc/89/03/96/1050890396.db2.gz PWXPURJKHKKRMU-MRXNPFEDSA-N 1 2 372.517 2.561 20 30 FFEDLO C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC(Nc2ccccn2)CC1 ZINC001340492545 1050890546 /nfs/dbraw/zinc/89/05/46/1050890546.db2.gz VXBUPKYKZFBZDE-QGZVFWFLSA-N 1 2 367.501 2.707 20 30 FFEDLO C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC(Nc2ccccn2)CC1 ZINC001340492545 1050890558 /nfs/dbraw/zinc/89/05/58/1050890558.db2.gz VXBUPKYKZFBZDE-QGZVFWFLSA-N 1 2 367.501 2.707 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@@H](c2nc(C)cs2)C1 ZINC001340594609 1050978886 /nfs/dbraw/zinc/97/88/86/1050978886.db2.gz RDRUAQHXGNBGKG-CQSZACIVSA-N 1 2 369.498 2.547 20 30 FFEDLO C=CCn1c(CC(C)(C)C=C)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001340701487 1051066017 /nfs/dbraw/zinc/06/60/17/1051066017.db2.gz LPWZEYZZXOWSLH-UHFFFAOYSA-N 1 2 366.513 2.936 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCO[C@H](c2ccco2)C1 ZINC001342533199 1051136921 /nfs/dbraw/zinc/13/69/21/1051136921.db2.gz MLGYUAIXYQCEAF-KRWDZBQOSA-N 1 2 357.458 2.621 20 30 FFEDLO COCCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1cc(C#N)cs1 ZINC001342655558 1051263397 /nfs/dbraw/zinc/26/33/97/1051263397.db2.gz IRZJAEYUNZYCFK-MRXNPFEDSA-N 1 2 374.514 2.651 20 30 FFEDLO COCCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)Cc1cc(C#N)cs1 ZINC001342655558 1051263409 /nfs/dbraw/zinc/26/34/09/1051263409.db2.gz IRZJAEYUNZYCFK-MRXNPFEDSA-N 1 2 374.514 2.651 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C[C@@H](C)COC)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001316739439 1052076616 /nfs/dbraw/zinc/07/66/16/1052076616.db2.gz AEKRHVOMPQZWQR-MDASCCDHSA-N 1 2 361.461 2.839 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C[C@@H](C)COC)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001316739439 1052076629 /nfs/dbraw/zinc/07/66/29/1052076629.db2.gz AEKRHVOMPQZWQR-MDASCCDHSA-N 1 2 361.461 2.839 20 30 FFEDLO CC(C)(C#N)Cc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC1CC1 ZINC001345137091 1052284638 /nfs/dbraw/zinc/28/46/38/1052284638.db2.gz QSWWTHCBGIOTSV-UHFFFAOYSA-N 1 2 365.485 2.502 20 30 FFEDLO CN(C)S(=O)(=O)c1ccc(N[NH+]=Cc2ccc(N)c(Cl)c2)cc1 ZINC001343614392 1052337958 /nfs/dbraw/zinc/33/79/58/1052337958.db2.gz HMMAYNLBLLYYCU-UHFFFAOYSA-N 1 2 352.847 2.619 20 30 FFEDLO C=C(C)Cn1c(-c2ccc(C[NH+]3CCOCC3)cn2)nnc1N(CC)CC ZINC001343749405 1052401326 /nfs/dbraw/zinc/40/13/26/1052401326.db2.gz GLPNLBBSGIIQTO-UHFFFAOYSA-N 1 2 370.501 2.595 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc(C[NH+]2CCCCC2)n1C[C@H]1CCCCO1 ZINC001345587964 1052525119 /nfs/dbraw/zinc/52/51/19/1052525119.db2.gz VUUBRSHSUIXWAE-RTBURBONSA-N 1 2 371.529 2.825 20 30 FFEDLO Cc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)c(C#N)c1 ZINC001309098442 1052554786 /nfs/dbraw/zinc/55/47/86/1052554786.db2.gz ANZBANHLRHPXDQ-UHFFFAOYSA-N 1 2 352.419 2.531 20 30 FFEDLO C#C[C@H]1CCCN(c2nnc(Cc3[nH+]ccn3C)n2Cc2ccccc2)C1 ZINC001344103094 1052597125 /nfs/dbraw/zinc/59/71/25/1052597125.db2.gz USZCTZJLHQWWHV-KRWDZBQOSA-N 1 2 360.465 2.500 20 30 FFEDLO CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC[N@@H+]2C)n1CC1CC1 ZINC001346602746 1053148028 /nfs/dbraw/zinc/14/80/28/1053148028.db2.gz QSLUIAALWYCQDG-SFHVURJKSA-N 1 2 350.470 2.963 20 30 FFEDLO CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC[N@H+]2C)n1CC1CC1 ZINC001346602746 1053148032 /nfs/dbraw/zinc/14/80/32/1053148032.db2.gz QSLUIAALWYCQDG-SFHVURJKSA-N 1 2 350.470 2.963 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCOC1 ZINC001346608240 1053153853 /nfs/dbraw/zinc/15/38/53/1053153853.db2.gz HIQLUTDRAWHPQQ-SQGPQFPESA-N 1 2 372.517 2.601 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCOC1 ZINC001346608240 1053153855 /nfs/dbraw/zinc/15/38/55/1053153855.db2.gz HIQLUTDRAWHPQQ-SQGPQFPESA-N 1 2 372.517 2.601 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC2CC1(C)C2 ZINC001346647359 1053183088 /nfs/dbraw/zinc/18/30/88/1053183088.db2.gz RSFYPPNSGXWJSC-MUZJZNNISA-N 1 2 357.502 2.769 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC2CC1(C)C2 ZINC001346647359 1053183094 /nfs/dbraw/zinc/18/30/94/1053183094.db2.gz RSFYPPNSGXWJSC-MUZJZNNISA-N 1 2 357.502 2.769 20 30 FFEDLO CC[C@H](C)[C@H](OC)C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001346719722 1053256214 /nfs/dbraw/zinc/25/62/14/1053256214.db2.gz DBVMLCUWIVGBQA-YJBOKZPZSA-N 1 2 365.495 2.536 20 30 FFEDLO C#CCCCc1nnc(N2CCc3cc[nH+]c(N(C)C)c3C2)n1CC1CC1 ZINC001347039416 1053560166 /nfs/dbraw/zinc/56/01/66/1053560166.db2.gz AFNOQWHLLIFSQY-UHFFFAOYSA-N 1 2 364.497 2.668 20 30 FFEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]NC1CCSCC1 ZINC001336993372 1054395498 /nfs/dbraw/zinc/39/54/98/1054395498.db2.gz YKLTWTUCJBLJDI-UHFFFAOYSA-N 1 2 365.462 2.780 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)C1 ZINC001337016076 1054411154 /nfs/dbraw/zinc/41/11/54/1054411154.db2.gz LJPFYTVEFBZBRE-IBGZPJMESA-N 1 2 371.456 2.528 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)C1 ZINC001337016076 1054411157 /nfs/dbraw/zinc/41/11/57/1054411157.db2.gz LJPFYTVEFBZBRE-IBGZPJMESA-N 1 2 371.456 2.528 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001347965589 1054509596 /nfs/dbraw/zinc/50/95/96/1054509596.db2.gz UJQYYHDGLBZERO-ZWOKBUDYSA-N 1 2 358.486 2.688 20 30 FFEDLO CCn1c[nH+]cc1COC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001347972391 1054515876 /nfs/dbraw/zinc/51/58/76/1054515876.db2.gz OYTXENARSAZJMS-CYBMUJFWSA-N 1 2 372.812 2.524 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001347975039 1054516874 /nfs/dbraw/zinc/51/68/74/1054516874.db2.gz FJJNBCXUDXMBCF-IWLLQYOYSA-N 1 2 370.497 2.613 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001347975039 1054516885 /nfs/dbraw/zinc/51/68/85/1054516885.db2.gz FJJNBCXUDXMBCF-IWLLQYOYSA-N 1 2 370.497 2.613 20 30 FFEDLO Cc1cc(C(=O)N2CCC(c3c[nH+]cn3C)CC2)nn1-c1cccc(C#N)c1 ZINC001348149065 1054701325 /nfs/dbraw/zinc/70/13/25/1054701325.db2.gz GCNXGNCOAKISJK-UHFFFAOYSA-N 1 2 374.448 2.806 20 30 FFEDLO COc1cccc([C@H]2CN(C(=O)[C@@]3(C#N)CC4CCC3CC4)CC[NH2+]2)c1 ZINC001337376271 1054702210 /nfs/dbraw/zinc/70/22/10/1054702210.db2.gz FIZHXNUGPDCRFC-KZQZBHJTSA-N 1 2 353.466 2.888 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@H](OC)CC[C@H]1C ZINC001351950074 1055082857 /nfs/dbraw/zinc/08/28/57/1055082857.db2.gz VOCLKRXYMMYOLU-SJLPKXTDSA-N 1 2 372.517 2.561 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)c1cc(OC)cc(OC)c1 ZINC001356152491 1055338541 /nfs/dbraw/zinc/33/85/41/1055338541.db2.gz GVKYZCYRALMNEU-UHFFFAOYSA-N 1 2 368.441 2.574 20 30 FFEDLO C=CCn1c([C@H](C)C(C)C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001356180428 1055362396 /nfs/dbraw/zinc/36/23/96/1055362396.db2.gz UDULUBAFJZDQMU-OAHLLOKOSA-N 1 2 355.490 2.649 20 30 FFEDLO CCn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N(C)[C@@H](C)CC#N ZINC001356291301 1055439310 /nfs/dbraw/zinc/43/93/10/1055439310.db2.gz QWBDHAMPGZZATB-INIZCTEOSA-N 1 2 363.469 2.872 20 30 FFEDLO C=CCN(c1nnc([C@H]2CCCC[N@H+]2C)n1Cc1cc(C)on1)C1CC1 ZINC001349758222 1055451125 /nfs/dbraw/zinc/45/11/25/1055451125.db2.gz LECHCDPEGSVMBN-QGZVFWFLSA-N 1 2 356.474 2.934 20 30 FFEDLO C=CCN(c1nnc([C@H]2CCCC[N@@H+]2C)n1Cc1cc(C)on1)C1CC1 ZINC001349758222 1055451127 /nfs/dbraw/zinc/45/11/27/1055451127.db2.gz LECHCDPEGSVMBN-QGZVFWFLSA-N 1 2 356.474 2.934 20 30 FFEDLO Cn1c[nH+]cc1C1CCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1 ZINC001350165686 1055654527 /nfs/dbraw/zinc/65/45/27/1055654527.db2.gz XMCJIBOZVWTUOC-LJQANCHMSA-N 1 2 363.465 2.667 20 30 FFEDLO CCn1c(-c2coc(C#N)c2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001352617125 1055655469 /nfs/dbraw/zinc/65/54/69/1055655469.db2.gz USXQZVBKHXNSCF-UHFFFAOYSA-N 1 2 363.425 2.906 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001356958438 1055725573 /nfs/dbraw/zinc/72/55/73/1055725573.db2.gz XTWWMOMQMFUKDN-SXGZJXTBSA-N 1 2 358.486 2.517 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001356958438 1055725582 /nfs/dbraw/zinc/72/55/82/1055725582.db2.gz XTWWMOMQMFUKDN-SXGZJXTBSA-N 1 2 358.486 2.517 20 30 FFEDLO C=C(C)CCC(=O)NCc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001356985346 1055738696 /nfs/dbraw/zinc/73/86/96/1055738696.db2.gz ZDMYRVYMNCQOFO-QZTJIDSGSA-N 1 2 366.465 2.802 20 30 FFEDLO C=C(C)CCC(=O)NCc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001356985346 1055738701 /nfs/dbraw/zinc/73/87/01/1055738701.db2.gz ZDMYRVYMNCQOFO-QZTJIDSGSA-N 1 2 366.465 2.802 20 30 FFEDLO C=CCn1c(-c2ccsc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001338778689 1055806389 /nfs/dbraw/zinc/80/63/89/1055806389.db2.gz MOBALWKNFGNJMF-UHFFFAOYSA-N 1 2 367.482 2.618 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2ccccc2C1 ZINC001338839946 1055860824 /nfs/dbraw/zinc/86/08/24/1055860824.db2.gz JEPRDJYEYOYUEV-MOPGFXCFSA-N 1 2 365.481 2.910 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2ccccc2C1 ZINC001338839946 1055860835 /nfs/dbraw/zinc/86/08/35/1055860835.db2.gz JEPRDJYEYOYUEV-MOPGFXCFSA-N 1 2 365.481 2.910 20 30 FFEDLO CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)ccc1OC ZINC000847496547 1055931550 /nfs/dbraw/zinc/93/15/50/1055931550.db2.gz QEECTVPLNBHSJK-XJKSGUPXSA-N 1 2 356.426 2.594 20 30 FFEDLO CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)ccc1OC ZINC000847496547 1055931558 /nfs/dbraw/zinc/93/15/58/1055931558.db2.gz QEECTVPLNBHSJK-XJKSGUPXSA-N 1 2 356.426 2.594 20 30 FFEDLO CN(Cc1ccc(F)cc1F)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001338922620 1055937467 /nfs/dbraw/zinc/93/74/67/1055937467.db2.gz BCMRASWDACBSEC-UHFFFAOYSA-N 1 2 374.439 2.823 20 30 FFEDLO C=CCn1c(N2CCC[C@]3(CC=CCC3)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001339069874 1056064693 /nfs/dbraw/zinc/06/46/93/1056064693.db2.gz SCLOFWNUPUXFOC-IOMROCGXSA-N 1 2 371.529 2.702 20 30 FFEDLO C=CCn1c(N2CCC[C@]3(CC=CCC3)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339069874 1056064705 /nfs/dbraw/zinc/06/47/05/1056064705.db2.gz SCLOFWNUPUXFOC-IOMROCGXSA-N 1 2 371.529 2.702 20 30 FFEDLO Cc1c(C(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)cnn1CCC#N ZINC001339114235 1056106202 /nfs/dbraw/zinc/10/62/02/1056106202.db2.gz CNPDOUWCUIREOQ-KRWDZBQOSA-N 1 2 357.845 2.545 20 30 FFEDLO C=CC[C@@H]1N(c2nnc([C@@]3(C)C[C@@H](O)C[N@H+]3C)n2CC=C)CCCC1(C)C ZINC001339198072 1056193182 /nfs/dbraw/zinc/19/31/82/1056193182.db2.gz UXJHQQRAOPDDMC-LLGFUMIMSA-N 1 2 373.545 2.947 20 30 FFEDLO C=CC[C@@H]1N(c2nnc([C@@]3(C)C[C@@H](O)C[N@@H+]3C)n2CC=C)CCCC1(C)C ZINC001339198072 1056193189 /nfs/dbraw/zinc/19/31/89/1056193189.db2.gz UXJHQQRAOPDDMC-LLGFUMIMSA-N 1 2 373.545 2.947 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2cc(C)c(C#N)cn2)CC1 ZINC000603115147 1056347697 /nfs/dbraw/zinc/34/76/97/1056347697.db2.gz BXVJJWLWWXLXBY-UHFFFAOYSA-N 1 2 365.437 2.620 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(CCO)CCc1ccccc1 ZINC001339529392 1056550941 /nfs/dbraw/zinc/55/09/41/1056550941.db2.gz SNHMSPZKHLVDBL-LJQANCHMSA-N 1 2 369.513 2.662 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(CCO)CCc1ccccc1 ZINC001339529392 1056550955 /nfs/dbraw/zinc/55/09/55/1056550955.db2.gz SNHMSPZKHLVDBL-LJQANCHMSA-N 1 2 369.513 2.662 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1c[nH+]ccc1OC ZINC001358896207 1056589421 /nfs/dbraw/zinc/58/94/21/1056589421.db2.gz ZKEFJOYTTAYHSI-OAHLLOKOSA-N 1 2 353.470 2.921 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001339606037 1056629116 /nfs/dbraw/zinc/62/91/16/1056629116.db2.gz FHUJRKVSWPATNH-SFHVURJKSA-N 1 2 361.534 2.541 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2C[C@@H](OC)c2ccccc2)CC1 ZINC001359029173 1056665113 /nfs/dbraw/zinc/66/51/13/1056665113.db2.gz QQAKPGXUPBVVMU-LJQANCHMSA-N 1 2 367.497 2.544 20 30 FFEDLO C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1CC1([NH+]2CCOCC2)CC1 ZINC001359111255 1056724757 /nfs/dbraw/zinc/72/47/57/1056724757.db2.gz TVTGISKIHNBZSY-UHFFFAOYSA-N 1 2 370.501 2.540 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)c3sccc3C#N)C2)cc1 ZINC001544669196 1071675943 /nfs/dbraw/zinc/67/59/43/1071675943.db2.gz NKYMOMZZLQMPFR-QGZVFWFLSA-N 1 2 355.463 2.559 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)c3sccc3C#N)C2)cc1 ZINC001544669196 1071675946 /nfs/dbraw/zinc/67/59/46/1071675946.db2.gz NKYMOMZZLQMPFR-QGZVFWFLSA-N 1 2 355.463 2.559 20 30 FFEDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(C#Cc2ccccc2)cc1 ZINC001449680495 1058932523 /nfs/dbraw/zinc/93/25/23/1058932523.db2.gz CNUBFXYHEADMHE-SZPZYZBQSA-N 1 2 360.457 2.679 20 30 FFEDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(C#Cc2ccccc2)cc1 ZINC001449680495 1058932543 /nfs/dbraw/zinc/93/25/43/1058932543.db2.gz CNUBFXYHEADMHE-SZPZYZBQSA-N 1 2 360.457 2.679 20 30 FFEDLO COc1cc[nH+]cc1Cn1c([C@H]2CCCCO2)nnc1N(C)C[C@@H](C)C#N ZINC001504460173 1059185161 /nfs/dbraw/zinc/18/51/61/1059185161.db2.gz UBBBTGUEBYMTFE-WMLDXEAASA-N 1 2 370.457 2.567 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2Cc2cscc2C)CC1 ZINC001300698625 1059396113 /nfs/dbraw/zinc/39/61/13/1059396113.db2.gz WOMHWYLBGBYBQF-UHFFFAOYSA-N 1 2 355.511 2.719 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(CC)CCCC2)CC1 ZINC001300699916 1059402665 /nfs/dbraw/zinc/40/26/65/1059402665.db2.gz JPZSWLCDKFXDOJ-GOSISDBHSA-N 1 2 371.529 2.508 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2Cc2ccc(C)cc2)CC1 ZINC001300701609 1059412613 /nfs/dbraw/zinc/41/26/13/1059412613.db2.gz XGFJGJBNRJFMMT-UHFFFAOYSA-N 1 2 351.498 2.589 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001300703802 1059422252 /nfs/dbraw/zinc/42/22/52/1059422252.db2.gz SVOOTSAUEKHDCU-UHFFFAOYSA-N 1 2 369.435 2.574 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001515296251 1059514085 /nfs/dbraw/zinc/51/40/85/1059514085.db2.gz OFPPZXYLJWYNBA-JKSUJKDBSA-N 1 2 371.489 2.696 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001515296251 1059514102 /nfs/dbraw/zinc/51/41/02/1059514102.db2.gz OFPPZXYLJWYNBA-JKSUJKDBSA-N 1 2 371.489 2.696 20 30 FFEDLO COc1cccc([C@H]2CN(C(=O)C(=O)/C=C\c3ccc(F)cc3)CC[NH2+]2)c1 ZINC001454479519 1059544501 /nfs/dbraw/zinc/54/45/01/1059544501.db2.gz VGLPWBWJCBFMQT-JNLAIUADSA-N 1 2 368.408 2.590 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC=C ZINC001520504108 1059741642 /nfs/dbraw/zinc/74/16/42/1059741642.db2.gz BDZNGSMTUWZJAV-SFHVURJKSA-N 1 2 352.486 2.549 20 30 FFEDLO C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2Cc2c[nH+]ccc2OC)C1 ZINC001508121973 1059815510 /nfs/dbraw/zinc/81/55/10/1059815510.db2.gz HENXTYNWTDZHNC-QGZVFWFLSA-N 1 2 369.469 2.779 20 30 FFEDLO Cc1cccc(CCCn2c(N3CCO[C@H](C#N)C3)nnc2C(C)(C)C)[nH+]1 ZINC001511155067 1060313925 /nfs/dbraw/zinc/31/39/25/1060313925.db2.gz BCAKYNLGIRSZNC-QGZVFWFLSA-N 1 2 368.485 2.641 20 30 FFEDLO C#CCSCC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC001458157850 1060526169 /nfs/dbraw/zinc/52/61/69/1060526169.db2.gz XXVFHVLUSVXVLH-QFBILLFUSA-N 1 2 359.539 2.815 20 30 FFEDLO C#CCSCC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC001458157850 1060526189 /nfs/dbraw/zinc/52/61/89/1060526189.db2.gz XXVFHVLUSVXVLH-QFBILLFUSA-N 1 2 359.539 2.815 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1C ZINC001355724394 1060535914 /nfs/dbraw/zinc/53/59/14/1060535914.db2.gz QLALHSBEJACQPA-GOSISDBHSA-N 1 2 373.476 2.929 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1C ZINC001355724394 1060535936 /nfs/dbraw/zinc/53/59/36/1060535936.db2.gz QLALHSBEJACQPA-GOSISDBHSA-N 1 2 373.476 2.929 20 30 FFEDLO CCOC(=O)[C@@H]1C2CCC(CC2)[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC001460139685 1060904459 /nfs/dbraw/zinc/90/44/59/1060904459.db2.gz XDRUIQQSNJGZDQ-RJYAGPCLSA-N 1 2 358.438 2.752 20 30 FFEDLO CCOC(=O)[C@@H]1C2CCC(CC2)[N@H+]1CCOc1ccc(C#N)cc1OC ZINC001460139685 1060904462 /nfs/dbraw/zinc/90/44/62/1060904462.db2.gz XDRUIQQSNJGZDQ-RJYAGPCLSA-N 1 2 358.438 2.752 20 30 FFEDLO COc1cc2c(cc1OC)[C@@H](C1CC1)[N@H+](CC(=O)NC1(C#N)CCC1)CC2 ZINC001460760976 1061091404 /nfs/dbraw/zinc/09/14/04/1061091404.db2.gz SQGGKCJZKMYDEF-HXUWFJFHSA-N 1 2 369.465 2.575 20 30 FFEDLO COc1cc2c(cc1OC)[C@@H](C1CC1)[N@@H+](CC(=O)NC1(C#N)CCC1)CC2 ZINC001460760976 1061091422 /nfs/dbraw/zinc/09/14/22/1061091422.db2.gz SQGGKCJZKMYDEF-HXUWFJFHSA-N 1 2 369.465 2.575 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+](C)Cc1cc(C#N)cs1 ZINC001460852506 1061128180 /nfs/dbraw/zinc/12/81/80/1061128180.db2.gz VYHGFWNLJNEXAH-JTQLQIEISA-N 1 2 355.423 2.661 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC001460852506 1061128185 /nfs/dbraw/zinc/12/81/85/1061128185.db2.gz VYHGFWNLJNEXAH-JTQLQIEISA-N 1 2 355.423 2.661 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H](CO)c3cc(F)ccc3F)C2=O)cc1 ZINC001460946508 1061160529 /nfs/dbraw/zinc/16/05/29/1061160529.db2.gz HLXUTMFACZUHTR-RTBURBONSA-N 1 2 371.387 2.655 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3ccc(C)c(C#N)c3)C2)c1 ZINC001462229148 1061543813 /nfs/dbraw/zinc/54/38/13/1061543813.db2.gz BCNWEJMDFMYIPY-OAQYLSRUSA-N 1 2 363.461 2.806 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3ccc(C)c(C#N)c3)C2)c1 ZINC001462229148 1061543821 /nfs/dbraw/zinc/54/38/21/1061543821.db2.gz BCNWEJMDFMYIPY-OAQYLSRUSA-N 1 2 363.461 2.806 20 30 FFEDLO N#Cc1cnc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c(Cl)c1 ZINC001462452339 1061630190 /nfs/dbraw/zinc/63/01/90/1061630190.db2.gz ATFRHSAASYTUDL-INIZCTEOSA-N 1 2 351.797 2.974 20 30 FFEDLO Cc1nnc(N(C)[C@H](C)CC#N)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001492775876 1062199758 /nfs/dbraw/zinc/19/97/58/1062199758.db2.gz LAMBNPJQHAQPHT-WBMJQRKESA-N 1 2 362.428 2.906 20 30 FFEDLO C=CCN(C)c1nnc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1CCOC ZINC001523299395 1062429413 /nfs/dbraw/zinc/42/94/13/1062429413.db2.gz FZWUSMPTIDBUGB-SFHVURJKSA-N 1 2 355.486 2.884 20 30 FFEDLO C=CCN(C)c1nnc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1CCOC ZINC001523299395 1062429422 /nfs/dbraw/zinc/42/94/22/1062429422.db2.gz FZWUSMPTIDBUGB-SFHVURJKSA-N 1 2 355.486 2.884 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@@H+]1CC(=O)Nc1cccc(C)c1C ZINC001479634541 1062667374 /nfs/dbraw/zinc/66/73/74/1062667374.db2.gz CNNBKOUZRREJAC-VQTJNVASSA-N 1 2 367.493 2.624 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@H+]1CC(=O)Nc1cccc(C)c1C ZINC001479634541 1062667376 /nfs/dbraw/zinc/66/73/76/1062667376.db2.gz CNNBKOUZRREJAC-VQTJNVASSA-N 1 2 367.493 2.624 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)c(OC)c(F)c2)[C@@H]1C ZINC001479704445 1062838702 /nfs/dbraw/zinc/83/87/02/1062838702.db2.gz XSKAPUPGBNIJNF-DYVFJYSZSA-N 1 2 350.409 2.856 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2cc(F)c(OC)c(F)c2)[C@@H]1C ZINC001479704445 1062838723 /nfs/dbraw/zinc/83/87/23/1062838723.db2.gz XSKAPUPGBNIJNF-DYVFJYSZSA-N 1 2 350.409 2.856 20 30 FFEDLO C=CCC1(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001496203029 1063600772 /nfs/dbraw/zinc/60/07/72/1063600772.db2.gz UKQYGLQAHZJBCK-HZPDHXFCSA-N 1 2 358.486 2.614 20 30 FFEDLO C=CCC1(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001496203029 1063600780 /nfs/dbraw/zinc/60/07/80/1063600780.db2.gz UKQYGLQAHZJBCK-HZPDHXFCSA-N 1 2 358.486 2.614 20 30 FFEDLO C#Cc1cccc(CNC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC001469005287 1064073795 /nfs/dbraw/zinc/07/37/95/1064073795.db2.gz UZEKTHVLOSIWSM-KRWDZBQOSA-N 1 2 365.452 2.634 20 30 FFEDLO C#C[C@H](NC(=O)NCc1ccc[nH+]c1N)c1ccc(Br)cc1 ZINC001470662284 1064403194 /nfs/dbraw/zinc/40/31/94/1064403194.db2.gz DHYJDCWEMDMSBJ-AWEZNQCLSA-N 1 2 359.227 2.600 20 30 FFEDLO C#C[C@H](NC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1)C(C)(C)C ZINC001471101393 1064558362 /nfs/dbraw/zinc/55/83/62/1064558362.db2.gz MBIBWIQPLVRWMT-MOPGFXCFSA-N 1 2 357.498 2.543 20 30 FFEDLO C#C[C@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1)C(C)(C)C ZINC001471101393 1064558369 /nfs/dbraw/zinc/55/83/69/1064558369.db2.gz MBIBWIQPLVRWMT-MOPGFXCFSA-N 1 2 357.498 2.543 20 30 FFEDLO C=C1CCC(C(=O)N(Cc2cnn[nH]2)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001575061747 1078102185 /nfs/dbraw/zinc/10/21/85/1078102185.db2.gz LQDFAYIVPDJIOV-UHFFFAOYSA-N 1 2 357.502 2.754 20 30 FFEDLO C=CCC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001575097165 1078106669 /nfs/dbraw/zinc/10/66/69/1078106669.db2.gz HERIEVPUSHWLBR-QZTJIDSGSA-N 1 2 359.518 2.856 20 30 FFEDLO Cc1ccccc1[C@H]1C[N@H+](Cc2cc(=O)n3ncc(C#N)c3[nH]2)[C@@H](C)CO1 ZINC001473173580 1065212820 /nfs/dbraw/zinc/21/28/20/1065212820.db2.gz OARKFXTZGPDGIF-KBXCAEBGSA-N 1 2 363.421 2.577 20 30 FFEDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cc(=O)n3ncc(C#N)c3[nH]2)[C@@H](C)CO1 ZINC001473173580 1065212829 /nfs/dbraw/zinc/21/28/29/1065212829.db2.gz OARKFXTZGPDGIF-KBXCAEBGSA-N 1 2 363.421 2.577 20 30 FFEDLO C[C@H](C[NH+]1CCN(c2ccc(F)cc2C#N)CC1)NC(=O)OC(C)(C)C ZINC001473725198 1065334284 /nfs/dbraw/zinc/33/42/84/1065334284.db2.gz BHJCDOKTXYQMBC-CQSZACIVSA-N 1 2 362.449 2.733 20 30 FFEDLO N#CC1(C[NH2+]Cc2ccccc2I)CCOCC1 ZINC001474296539 1065487980 /nfs/dbraw/zinc/48/79/80/1065487980.db2.gz MVOJHNTZOCUTDB-UHFFFAOYSA-N 1 2 356.207 2.701 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCc1ccc2c(c1)OCO2 ZINC001560148497 1076236957 /nfs/dbraw/zinc/23/69/57/1076236957.db2.gz WEYQVOZCGZHTNB-LJQANCHMSA-N 1 2 352.390 2.676 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1ccc2c(c1)OCO2 ZINC001560148497 1076236959 /nfs/dbraw/zinc/23/69/59/1076236959.db2.gz WEYQVOZCGZHTNB-LJQANCHMSA-N 1 2 352.390 2.676 20 30 FFEDLO C#CC1(F)CN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001563438353 1076555002 /nfs/dbraw/zinc/55/50/02/1076555002.db2.gz WQXWXQDOFVGOJZ-OAHLLOKOSA-N 1 2 367.827 2.983 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC001564429066 1076632080 /nfs/dbraw/zinc/63/20/80/1076632080.db2.gz NIKIXQWVYFREOW-ICSRJNTNSA-N 1 2 358.530 2.847 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC001564429066 1076632083 /nfs/dbraw/zinc/63/20/83/1076632083.db2.gz NIKIXQWVYFREOW-ICSRJNTNSA-N 1 2 358.530 2.847 20 30 FFEDLO C=CC[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)C1 ZINC001565224299 1076699298 /nfs/dbraw/zinc/69/92/98/1076699298.db2.gz IMKWAHJZBWBROX-QUCCMNQESA-N 1 2 357.498 2.803 20 30 FFEDLO C=CC[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)C1 ZINC001565224299 1076699300 /nfs/dbraw/zinc/69/93/00/1076699300.db2.gz IMKWAHJZBWBROX-QUCCMNQESA-N 1 2 357.498 2.803 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CC[N@@H+]1CC(=O)Nc1ccc(C)cc1 ZINC001566011843 1076846095 /nfs/dbraw/zinc/84/60/95/1076846095.db2.gz IEQHXPRLGZSHFI-RBUKOAKNSA-N 1 2 355.482 2.562 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CC[N@H+]1CC(=O)Nc1ccc(C)cc1 ZINC001566011843 1076846097 /nfs/dbraw/zinc/84/60/97/1076846097.db2.gz IEQHXPRLGZSHFI-RBUKOAKNSA-N 1 2 355.482 2.562 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccccc2F)[C@@H]1CC ZINC001566019154 1076854065 /nfs/dbraw/zinc/85/40/65/1076854065.db2.gz FHUFDULEAOEOPQ-DLBZAZTESA-N 1 2 361.461 2.946 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2F)[C@@H]1CC ZINC001566019154 1076854068 /nfs/dbraw/zinc/85/40/68/1076854068.db2.gz FHUFDULEAOEOPQ-DLBZAZTESA-N 1 2 361.461 2.946 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2noc3c2CCCC3)[C@@H]1C ZINC001566081793 1076888755 /nfs/dbraw/zinc/88/87/55/1076888755.db2.gz IBKISAVYMRQDER-VYDXJSESSA-N 1 2 361.486 2.614 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2noc3c2CCCC3)[C@@H]1C ZINC001566081793 1076888759 /nfs/dbraw/zinc/88/87/59/1076888759.db2.gz IBKISAVYMRQDER-VYDXJSESSA-N 1 2 361.486 2.614 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cccc2)[C@H]1C ZINC001566109507 1076914300 /nfs/dbraw/zinc/91/43/00/1076914300.db2.gz PBNNCLABPIIRJR-KFWWJZLASA-N 1 2 354.292 2.927 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cccc2)[C@H]1C ZINC001566109507 1076914303 /nfs/dbraw/zinc/91/43/03/1076914303.db2.gz PBNNCLABPIIRJR-KFWWJZLASA-N 1 2 354.292 2.927 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)(C)C ZINC001572527045 1077334004 /nfs/dbraw/zinc/33/40/04/1077334004.db2.gz DKMNOQQVLAQJMO-IIAWOOMASA-N 1 2 360.502 2.763 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)(C)C ZINC001572527045 1077334010 /nfs/dbraw/zinc/33/40/10/1077334010.db2.gz DKMNOQQVLAQJMO-IIAWOOMASA-N 1 2 360.502 2.763 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001573231683 1077614490 /nfs/dbraw/zinc/61/44/90/1077614490.db2.gz SOAKUYVYELVJFE-CVEARBPZSA-N 1 2 360.502 2.688 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001573865998 1077826651 /nfs/dbraw/zinc/82/66/51/1077826651.db2.gz PJJLBXMJVNKURX-ZMSDIMECSA-N 1 2 368.481 2.990 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001573892331 1077837341 /nfs/dbraw/zinc/83/73/41/1077837341.db2.gz ZHQMACFZOVOCNA-IXDOHACOSA-N 1 2 368.481 2.761 20 30 FFEDLO C=CCC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C3)CCC1 ZINC001574246099 1077938388 /nfs/dbraw/zinc/93/83/88/1077938388.db2.gz GXAVXEPJMKVBDK-MHORFTMASA-N 1 2 370.497 2.829 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001574518608 1078007525 /nfs/dbraw/zinc/00/75/25/1078007525.db2.gz MAAXAZMFJTXGGU-KURKYZTESA-N 1 2 370.497 2.658 20 30 FFEDLO CC(C)(CNC(=O)c1cccc(CNc2ncccc2C#N)c1)n1cc[nH+]c1 ZINC001585907038 1079511839 /nfs/dbraw/zinc/51/18/39/1079511839.db2.gz RKRKHIPVDPUROA-UHFFFAOYSA-N 1 2 374.448 2.927 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001585995692 1079523555 /nfs/dbraw/zinc/52/35/55/1079523555.db2.gz LWTUOHBZKJOYAH-CBGDNZLLSA-N 1 2 370.497 2.636 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001585995692 1079523558 /nfs/dbraw/zinc/52/35/58/1079523558.db2.gz LWTUOHBZKJOYAH-CBGDNZLLSA-N 1 2 370.497 2.636 20 30 FFEDLO CC1(C)CO[C@H](CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001586913804 1079704785 /nfs/dbraw/zinc/70/47/85/1079704785.db2.gz NRFNSRUUFOEPSM-LJQANCHMSA-N 1 2 355.482 2.798 20 30 FFEDLO C#CCN(CC)c1nnc([C@@H]2CCOC2)n1CCCc1cccc(C)[nH+]1 ZINC001588388191 1080002122 /nfs/dbraw/zinc/00/21/22/1080002122.db2.gz YQNAPSDBZXCGIQ-QGZVFWFLSA-N 1 2 353.470 2.578 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCCC(C)C)CC1 ZINC001588813394 1080204699 /nfs/dbraw/zinc/20/46/99/1080204699.db2.gz XLBLIEGNNPCCGH-GOSISDBHSA-N 1 2 359.518 2.711 20 30 FFEDLO CC(C)([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC001589321771 1080482141 /nfs/dbraw/zinc/48/21/41/1080482141.db2.gz OZVJLMZLVIMZSM-UHFFFAOYSA-N 1 2 363.381 2.671 20 30 FFEDLO CCc1c(C(=O)N=c2[nH][nH]c(CCC[NH2+]C)c2C#N)cnn1C1CCCC1 ZINC000530405982 539962955 /nfs/dbraw/zinc/96/29/55/539962955.db2.gz QVBUSHFWSJCKRN-UHFFFAOYSA-N 1 2 369.473 2.560 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)Nc2ccccc2F)CC1 ZINC000097474298 209183296 /nfs/dbraw/zinc/18/32/96/209183296.db2.gz ANLITPYUYNDFDB-UHFFFAOYSA-N 1 2 352.413 2.848 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@H+](CC(=O)Nc2ccccc2F)CC1 ZINC000097474298 209183298 /nfs/dbraw/zinc/18/32/98/209183298.db2.gz ANLITPYUYNDFDB-UHFFFAOYSA-N 1 2 352.413 2.848 20 30 FFEDLO Cc1ccccc1N1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000028746743 249347918 /nfs/dbraw/zinc/34/79/18/249347918.db2.gz ZCYTVJAKMXKGMO-NRFANRHFSA-N 1 2 360.461 2.794 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c(C#N)c1C ZINC000101910048 250094095 /nfs/dbraw/zinc/09/40/95/250094095.db2.gz WBPHAVLJYJGHSW-GDBMZVCRSA-N 1 2 374.485 2.579 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c(C#N)c1C ZINC000101910048 250094097 /nfs/dbraw/zinc/09/40/97/250094097.db2.gz WBPHAVLJYJGHSW-GDBMZVCRSA-N 1 2 374.485 2.579 20 30 FFEDLO N#Cc1cccc(OC2CCN(C(=O)c3ccnc(-n4cc[nH+]c4)c3)CC2)c1 ZINC000104487830 250177655 /nfs/dbraw/zinc/17/76/55/250177655.db2.gz JBGGETGAYGYZBZ-UHFFFAOYSA-N 1 2 373.416 2.823 20 30 FFEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118397613 250386276 /nfs/dbraw/zinc/38/62/76/250386276.db2.gz XYOPGIJGSMTCOA-DLBZAZTESA-N 1 2 354.498 2.684 20 30 FFEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000276515370 256106811 /nfs/dbraw/zinc/10/68/11/256106811.db2.gz RXDLRZYUKXZBQP-QGZVFWFLSA-N 1 2 373.501 2.689 20 30 FFEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000276515370 256106813 /nfs/dbraw/zinc/10/68/13/256106813.db2.gz RXDLRZYUKXZBQP-QGZVFWFLSA-N 1 2 373.501 2.689 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000277619065 256218610 /nfs/dbraw/zinc/21/86/10/256218610.db2.gz AGRZXUYWUXRXKY-CKEIUWERSA-N 1 2 372.469 2.730 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000277619065 256218611 /nfs/dbraw/zinc/21/86/11/256218611.db2.gz AGRZXUYWUXRXKY-CKEIUWERSA-N 1 2 372.469 2.730 20 30 FFEDLO Cc1nc(F)ccc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000278357713 256303158 /nfs/dbraw/zinc/30/31/58/256303158.db2.gz AOGBGQJWKVSCMN-UHFFFAOYSA-N 1 2 367.384 2.971 20 30 FFEDLO N#Cc1c(NCc2ccc(N3CCOCC3)[nH+]c2)nc2cc(Cl)ccn21 ZINC000286132599 257022008 /nfs/dbraw/zinc/02/20/08/257022008.db2.gz NAXSHYPCRAGYOE-UHFFFAOYSA-N 1 2 368.828 2.703 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2c2ccc(F)cc2)nc1 ZINC000290385668 257329672 /nfs/dbraw/zinc/32/96/72/257329672.db2.gz RZCFKVJJDLMNID-QGZVFWFLSA-N 1 2 359.426 2.703 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)nc1 ZINC000290385668 257329673 /nfs/dbraw/zinc/32/96/73/257329673.db2.gz RZCFKVJJDLMNID-QGZVFWFLSA-N 1 2 359.426 2.703 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c(OC)c1OC ZINC000301090767 258024487 /nfs/dbraw/zinc/02/44/87/258024487.db2.gz MVMMIUZHWPXXIK-UHFFFAOYSA-N 1 2 367.449 2.906 20 30 FFEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3cc(Cl)ccc3C#N)CC2)C1 ZINC000301204659 258034120 /nfs/dbraw/zinc/03/41/20/258034120.db2.gz PEEXLARDKVTMJL-HZPDHXFCSA-N 1 2 374.916 2.838 20 30 FFEDLO Cc1cc(NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)nc[nH+]1 ZINC000301236069 258036543 /nfs/dbraw/zinc/03/65/43/258036543.db2.gz LQZKDORZLIGGET-UHFFFAOYSA-N 1 2 351.389 2.608 20 30 FFEDLO Cc1nnc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)c(C#N)c1C ZINC000299520601 258001530 /nfs/dbraw/zinc/00/15/30/258001530.db2.gz LFZFXTZMIDTXQB-UHFFFAOYSA-N 1 2 364.478 2.897 20 30 FFEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3cccc(F)c3C#N)CC2)n1 ZINC000301582959 258056971 /nfs/dbraw/zinc/05/69/71/258056971.db2.gz VGBMWWZMUZMGNB-ZDUSSCGKSA-N 1 2 359.405 2.500 20 30 FFEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3cccc(F)c3C#N)CC2)n1 ZINC000301582959 258056972 /nfs/dbraw/zinc/05/69/72/258056972.db2.gz VGBMWWZMUZMGNB-ZDUSSCGKSA-N 1 2 359.405 2.500 20 30 FFEDLO C[C@H]1C[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCC1=O ZINC000328957115 258125344 /nfs/dbraw/zinc/12/53/44/258125344.db2.gz ZLNUSFMQANTJLD-QFBILLFUSA-N 1 2 353.466 2.598 20 30 FFEDLO C[C@H]1C[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCC1=O ZINC000328957115 258125345 /nfs/dbraw/zinc/12/53/45/258125345.db2.gz ZLNUSFMQANTJLD-QFBILLFUSA-N 1 2 353.466 2.598 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3cccc(C#N)c3F)CC2)C1 ZINC000331975849 258208511 /nfs/dbraw/zinc/20/85/11/258208511.db2.gz MKIHWTOOMHKOPQ-APWZRJJASA-N 1 2 372.488 2.510 20 30 FFEDLO Cc1onc(CC(=O)N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)c1C#N ZINC000332308886 258224438 /nfs/dbraw/zinc/22/44/38/258224438.db2.gz SIBZNVOOXQBTCE-CYBMUJFWSA-N 1 2 372.856 2.956 20 30 FFEDLO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000332573190 258235658 /nfs/dbraw/zinc/23/56/58/258235658.db2.gz ZQPQJUYROVULMT-HNNXBMFYSA-N 1 2 360.889 2.735 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[S@@](=O)CC[C@@H]2C)cc1OCCCC#N ZINC000373032946 512141649 /nfs/dbraw/zinc/14/16/49/512141649.db2.gz BGXSWUQRSORZGJ-OWJWWREXSA-N 1 2 350.484 2.721 20 30 FFEDLO COc1ccc(C[N@H+]2CC[S@@](=O)CC[C@@H]2C)cc1OCCCC#N ZINC000373032946 512141654 /nfs/dbraw/zinc/14/16/54/512141654.db2.gz BGXSWUQRSORZGJ-OWJWWREXSA-N 1 2 350.484 2.721 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000411136041 512484416 /nfs/dbraw/zinc/48/44/16/512484416.db2.gz OEIPZKKIFRBXEW-AWEZNQCLSA-N 1 2 350.875 2.929 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000088559123 508376333 /nfs/dbraw/zinc/37/63/33/508376333.db2.gz ZBSOIFIBTAUVGF-CQSZACIVSA-N 1 2 366.259 2.598 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000088559123 508376337 /nfs/dbraw/zinc/37/63/37/508376337.db2.gz ZBSOIFIBTAUVGF-CQSZACIVSA-N 1 2 366.259 2.598 20 30 FFEDLO CCCNC(=O)C[N@H+](CCC)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411175228 512503931 /nfs/dbraw/zinc/50/39/31/512503931.db2.gz CYNVZAQNFXTNSN-CYBMUJFWSA-N 1 2 364.877 2.777 20 30 FFEDLO CCCNC(=O)C[N@@H+](CCC)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411175228 512503935 /nfs/dbraw/zinc/50/39/35/512503935.db2.gz CYNVZAQNFXTNSN-CYBMUJFWSA-N 1 2 364.877 2.777 20 30 FFEDLO COc1c(O)c(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)ccc1[N+](=O)[O-] ZINC000373209848 512221142 /nfs/dbraw/zinc/22/11/42/512221142.db2.gz MUYQSYRWPHBFDE-KRWDZBQOSA-N 1 2 369.377 2.754 20 30 FFEDLO COc1c(O)c(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)ccc1[N+](=O)[O-] ZINC000373209848 512221154 /nfs/dbraw/zinc/22/11/54/512221154.db2.gz MUYQSYRWPHBFDE-KRWDZBQOSA-N 1 2 369.377 2.754 20 30 FFEDLO N#Cc1ccc(CN2CCC[N@@H+](CC(=O)NC3CCCCC3)CC2)cc1 ZINC000037114968 506420752 /nfs/dbraw/zinc/42/07/52/506420752.db2.gz MZYPGARBFKCHAU-UHFFFAOYSA-N 1 2 354.498 2.515 20 30 FFEDLO N#Cc1ccc(CN2CCC[N@H+](CC(=O)NC3CCCCC3)CC2)cc1 ZINC000037114968 506420758 /nfs/dbraw/zinc/42/07/58/506420758.db2.gz MZYPGARBFKCHAU-UHFFFAOYSA-N 1 2 354.498 2.515 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1OC ZINC000053687809 506432338 /nfs/dbraw/zinc/43/23/38/506432338.db2.gz BDSOHCRXXSLIGA-UHFFFAOYSA-N 1 2 367.449 2.613 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc3c(c2)OCCO3)c(C#N)c1C ZINC000042334589 506620632 /nfs/dbraw/zinc/62/06/32/506620632.db2.gz FTYNHQOLLYQYJP-CYBMUJFWSA-N 1 2 369.421 2.998 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc3c(c2)OCCO3)c(C#N)c1C ZINC000042334589 506620641 /nfs/dbraw/zinc/62/06/41/506620641.db2.gz FTYNHQOLLYQYJP-CYBMUJFWSA-N 1 2 369.421 2.998 20 30 FFEDLO C=C(Br)CN1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377528111 512312561 /nfs/dbraw/zinc/31/25/61/512312561.db2.gz NBAQBVBQUDMHPX-AWEZNQCLSA-N 1 2 374.323 2.522 20 30 FFEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000056490022 507027498 /nfs/dbraw/zinc/02/74/98/507027498.db2.gz ZCEOULAZLOHHEY-CYBMUJFWSA-N 1 2 356.297 2.974 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000367057854 512318183 /nfs/dbraw/zinc/31/81/83/512318183.db2.gz NRLXLRASAFNBPB-UHFFFAOYSA-N 1 2 356.376 2.856 20 30 FFEDLO CSc1nc(C2CC2)cc(C(=O)NCc2ccc[nH+]c2N(C)C)c1C#N ZINC000046591402 507155169 /nfs/dbraw/zinc/15/51/69/507155169.db2.gz ZOILKYWMBYMWOZ-UHFFFAOYSA-N 1 2 367.478 2.944 20 30 FFEDLO CCOc1ccc(N2C(=O)C[C@@H]([N@H+](C)Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000046834552 507205551 /nfs/dbraw/zinc/20/55/51/507205551.db2.gz MWSIRTAKUDLPLY-LJQANCHMSA-N 1 2 363.417 2.721 20 30 FFEDLO CCOc1ccc(N2C(=O)C[C@@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000046834552 507205559 /nfs/dbraw/zinc/20/55/59/507205559.db2.gz MWSIRTAKUDLPLY-LJQANCHMSA-N 1 2 363.417 2.721 20 30 FFEDLO CCOC(=O)CN(C(=O)C[N@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000046856645 507208689 /nfs/dbraw/zinc/20/86/89/507208689.db2.gz JKZCQNOHJYBZHI-UHFFFAOYSA-N 1 2 365.433 2.586 20 30 FFEDLO CCOC(=O)CN(C(=O)C[N@@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000046856645 507208698 /nfs/dbraw/zinc/20/86/98/507208698.db2.gz JKZCQNOHJYBZHI-UHFFFAOYSA-N 1 2 365.433 2.586 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccc4[nH+]ccn4c3)C2)c(F)c1 ZINC000068532285 507258745 /nfs/dbraw/zinc/25/87/45/507258745.db2.gz LSOUIJZDHKWFEL-INIZCTEOSA-N 1 2 363.396 2.744 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000057844770 507340017 /nfs/dbraw/zinc/34/00/17/507340017.db2.gz VXPKQRKLMTXYAO-LBPRGKRZSA-N 1 2 365.359 2.776 20 30 FFEDLO N#Cc1ccccc1CSCCNC(=O)NCCNc1cccc[nH+]1 ZINC000047501108 507346873 /nfs/dbraw/zinc/34/68/73/507346873.db2.gz XTMTVBVRKUQUEK-UHFFFAOYSA-N 1 2 355.467 2.598 20 30 FFEDLO C[C@H](NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000057883332 507348090 /nfs/dbraw/zinc/34/80/90/507348090.db2.gz QOKGLCUMCVKKRC-SFHVURJKSA-N 1 2 362.477 2.553 20 30 FFEDLO N#CCOc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000069263174 507450743 /nfs/dbraw/zinc/45/07/43/507450743.db2.gz ORXNWPYTGQMYRA-UHFFFAOYSA-N 1 2 365.437 2.584 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000026215336 507567566 /nfs/dbraw/zinc/56/75/66/507567566.db2.gz CYGIHESVOFOHFW-QGZVFWFLSA-N 1 2 374.444 2.929 20 30 FFEDLO C=CCn1nnnc1SCc1cn2cc(Br)ccc2[nH+]1 ZINC000048873809 507574884 /nfs/dbraw/zinc/57/48/84/507574884.db2.gz NWHUPKILCHTNJH-UHFFFAOYSA-N 1 2 351.233 2.562 20 30 FFEDLO N#Cc1cccc(NC(=O)CCN2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000026336630 507579326 /nfs/dbraw/zinc/57/93/26/507579326.db2.gz AERGIRWJFQLMTH-UHFFFAOYSA-N 1 2 354.479 2.766 20 30 FFEDLO Cc1cccc(N2CC[NH+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)c1 ZINC000027383892 507653304 /nfs/dbraw/zinc/65/33/04/507653304.db2.gz JOWZADJQIXDKNA-UHFFFAOYSA-N 1 2 354.498 2.802 20 30 FFEDLO COc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000050107975 507661816 /nfs/dbraw/zinc/66/18/16/507661816.db2.gz PNGALCLZPHOAKT-UHFFFAOYSA-N 1 2 356.451 2.978 20 30 FFEDLO COc1ccc(C[N@H+](Cc2cccc(C#N)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027651890 507675528 /nfs/dbraw/zinc/67/55/28/507675528.db2.gz SQJGGNHIONOJBA-LJQANCHMSA-N 1 2 370.474 2.756 20 30 FFEDLO COc1ccc(C[N@@H+](Cc2cccc(C#N)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027651890 507675532 /nfs/dbraw/zinc/67/55/32/507675532.db2.gz SQJGGNHIONOJBA-LJQANCHMSA-N 1 2 370.474 2.756 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc(Cc4ccccc4)no3)CC2)cc1 ZINC000027720756 507680353 /nfs/dbraw/zinc/68/03/53/507680353.db2.gz XZORPXYRCWQUHN-UHFFFAOYSA-N 1 2 373.460 2.850 20 30 FFEDLO Cc1nc(CC(N)=[NH+]OCC(=O)Nc2ccc(C)cc2Cl)cs1 ZINC000063456903 507732147 /nfs/dbraw/zinc/73/21/47/507732147.db2.gz FAOMSGKJWANUPZ-UHFFFAOYSA-N 1 2 352.847 2.883 20 30 FFEDLO CCc1ccc(CNC(=O)C[N@H+](CCOC)Cc2ccc(C#N)cc2)s1 ZINC000063753617 507767593 /nfs/dbraw/zinc/76/75/93/507767593.db2.gz QTDXEARPWYRCMY-UHFFFAOYSA-N 1 2 371.506 2.947 20 30 FFEDLO CCc1ccc(CNC(=O)C[N@@H+](CCOC)Cc2ccc(C#N)cc2)s1 ZINC000063753617 507767598 /nfs/dbraw/zinc/76/75/98/507767598.db2.gz QTDXEARPWYRCMY-UHFFFAOYSA-N 1 2 371.506 2.947 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000029792339 507790864 /nfs/dbraw/zinc/79/08/64/507790864.db2.gz MCAHANISQDVLOQ-KRWDZBQOSA-N 1 2 374.444 2.929 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000052433878 507809040 /nfs/dbraw/zinc/80/90/40/507809040.db2.gz VGXCVJNNKWBAEA-MRXNPFEDSA-N 1 2 371.481 2.598 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2COc3ccccc3O2)c(C#N)c1C ZINC000072556029 507823432 /nfs/dbraw/zinc/82/34/32/507823432.db2.gz TUCVOXAGFQRSNV-UKRRQHHQSA-N 1 2 369.421 2.867 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2COc3ccccc3O2)c(C#N)c1C ZINC000072556029 507823434 /nfs/dbraw/zinc/82/34/34/507823434.db2.gz TUCVOXAGFQRSNV-UKRRQHHQSA-N 1 2 369.421 2.867 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc(-c2ccoc2)c1 ZINC000089832962 507872582 /nfs/dbraw/zinc/87/25/82/507872582.db2.gz JYDBHOXWTPUEGO-UHFFFAOYSA-N 1 2 353.422 2.635 20 30 FFEDLO CC(C)N(C)c1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000078581875 507886122 /nfs/dbraw/zinc/88/61/22/507886122.db2.gz BUIKMYLZWWQGIR-UHFFFAOYSA-N 1 2 373.501 2.611 20 30 FFEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC[C@@H](C)C#N)c1 ZINC000091280901 507978540 /nfs/dbraw/zinc/97/85/40/507978540.db2.gz NUUMIILLNOSOMA-AWEZNQCLSA-N 1 2 353.426 2.565 20 30 FFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000091980912 508029556 /nfs/dbraw/zinc/02/95/56/508029556.db2.gz GWISMYNYDYQCGA-QRWLVFNGSA-N 1 2 366.440 2.603 20 30 FFEDLO Cc1nc(CC(N)=[NH+]OCc2nc(Cc3ccccc3C)no2)cs1 ZINC000080285439 508062275 /nfs/dbraw/zinc/06/22/75/508062275.db2.gz ARUKSWYOJZSYSP-UHFFFAOYSA-N 1 2 357.439 2.765 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000111231708 508080210 /nfs/dbraw/zinc/08/02/10/508080210.db2.gz IFKYLFVFNUEZPY-OCCSQVGLSA-N 1 2 361.751 2.538 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000111231708 508080214 /nfs/dbraw/zinc/08/02/14/508080214.db2.gz IFKYLFVFNUEZPY-OCCSQVGLSA-N 1 2 361.751 2.538 20 30 FFEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000111250178 508082321 /nfs/dbraw/zinc/08/23/21/508082321.db2.gz CBGXYOGTNHYTRX-UHFFFAOYSA-N 1 2 370.497 2.691 20 30 FFEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000111250178 508082322 /nfs/dbraw/zinc/08/23/22/508082322.db2.gz CBGXYOGTNHYTRX-UHFFFAOYSA-N 1 2 370.497 2.691 20 30 FFEDLO CCOC(=O)CN(Cc1c[nH+]c2ccc(C#N)cn12)Cc1ccc(F)cc1 ZINC000092710893 508096996 /nfs/dbraw/zinc/09/69/96/508096996.db2.gz CRMHAXTZNRTQFJ-UHFFFAOYSA-N 1 2 366.396 2.910 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C1(C(N)=O)CCCC1 ZINC000093214244 508128102 /nfs/dbraw/zinc/12/81/02/508128102.db2.gz VWRXKODCYGKPHC-AWEZNQCLSA-N 1 2 374.510 2.607 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000093214244 508128105 /nfs/dbraw/zinc/12/81/05/508128105.db2.gz VWRXKODCYGKPHC-AWEZNQCLSA-N 1 2 374.510 2.607 20 30 FFEDLO C=CCOc1ccc(C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1OC ZINC000093392526 508143561 /nfs/dbraw/zinc/14/35/61/508143561.db2.gz ABMYKIJIRANPSQ-AWEZNQCLSA-N 1 2 353.484 2.658 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1OC ZINC000093392526 508143564 /nfs/dbraw/zinc/14/35/64/508143564.db2.gz ABMYKIJIRANPSQ-AWEZNQCLSA-N 1 2 353.484 2.658 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000081513074 508183788 /nfs/dbraw/zinc/18/37/88/508183788.db2.gz URKVNSUOOYYLCH-GOSISDBHSA-N 1 2 355.463 2.518 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000081513074 508183791 /nfs/dbraw/zinc/18/37/91/508183791.db2.gz URKVNSUOOYYLCH-GOSISDBHSA-N 1 2 355.463 2.518 20 30 FFEDLO Cc1ccc(-c2nc(CN(CCC#N)CC[NH+]3CCOCC3)co2)cc1 ZINC000081531744 508186103 /nfs/dbraw/zinc/18/61/03/508186103.db2.gz RGBDUVWSKVLARK-UHFFFAOYSA-N 1 2 354.454 2.698 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554919 508246093 /nfs/dbraw/zinc/24/60/93/508246093.db2.gz SLMKHBHUISJMBO-INIZCTEOSA-N 1 2 359.433 2.579 20 30 FFEDLO COc1ccc([C@H](NC(=O)c2cc(C#N)cs2)c2[nH+]ccn2C)cc1 ZINC000084073073 508264211 /nfs/dbraw/zinc/26/42/11/508264211.db2.gz PDPKTHVPMKHVKT-INIZCTEOSA-N 1 2 352.419 2.881 20 30 FFEDLO C[C@H](CNC(=O)c1cc(C#N)cs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000084263566 508272017 /nfs/dbraw/zinc/27/20/17/508272017.db2.gz GLNZUGSIHOSRDB-OAHLLOKOSA-N 1 2 354.479 2.560 20 30 FFEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(Cc2csc(C)n2)CC1 ZINC000077250279 508292938 /nfs/dbraw/zinc/29/29/38/508292938.db2.gz ABWIVOFWCBIROS-UHFFFAOYSA-N 1 2 372.494 2.528 20 30 FFEDLO NC(=[NH+]OCC(=O)Nc1ccnn1C1CCCC1)c1ccc(F)c(F)c1 ZINC000085261394 508301403 /nfs/dbraw/zinc/30/14/03/508301403.db2.gz BHMVIAZBAFPGKB-UHFFFAOYSA-N 1 2 363.368 2.552 20 30 FFEDLO CC[N@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)Cc1cnn(C)c1 ZINC000103474479 508314103 /nfs/dbraw/zinc/31/41/03/508314103.db2.gz RFSOXQTXEJLFJG-UHFFFAOYSA-N 1 2 353.470 2.806 20 30 FFEDLO CC[N@@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)Cc1cnn(C)c1 ZINC000103474479 508314105 /nfs/dbraw/zinc/31/41/05/508314105.db2.gz RFSOXQTXEJLFJG-UHFFFAOYSA-N 1 2 353.470 2.806 20 30 FFEDLO COC(=O)c1oc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1C ZINC000088524210 508374767 /nfs/dbraw/zinc/37/47/67/508374767.db2.gz HFPOJDPNTYCMNX-GOSISDBHSA-N 1 2 353.422 2.757 20 30 FFEDLO CCOCCN1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000127428266 508447927 /nfs/dbraw/zinc/44/79/27/508447927.db2.gz AIZUBXUNLBYAPI-UHFFFAOYSA-N 1 2 367.497 2.618 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+](CCO)Cc2cccnc2)cc1 ZINC000156850028 508485805 /nfs/dbraw/zinc/48/58/05/508485805.db2.gz KOKHJJJGTZPRMA-SFHVURJKSA-N 1 2 366.465 2.520 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+](CCO)Cc2cccnc2)cc1 ZINC000156850028 508485811 /nfs/dbraw/zinc/48/58/11/508485811.db2.gz KOKHJJJGTZPRMA-SFHVURJKSA-N 1 2 366.465 2.520 20 30 FFEDLO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000152956526 508533984 /nfs/dbraw/zinc/53/39/84/508533984.db2.gz PVAUBBRTCRZJFA-UHFFFAOYSA-N 1 2 352.394 2.999 20 30 FFEDLO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000152956526 508533985 /nfs/dbraw/zinc/53/39/85/508533985.db2.gz PVAUBBRTCRZJFA-UHFFFAOYSA-N 1 2 352.394 2.999 20 30 FFEDLO Cc1ccccc1OCC[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128353846 508581286 /nfs/dbraw/zinc/58/12/86/508581286.db2.gz RJKBYVFGNDKUJD-UHFFFAOYSA-N 1 2 358.463 2.651 20 30 FFEDLO Cc1ccccc1OCC[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128353846 508581289 /nfs/dbraw/zinc/58/12/89/508581289.db2.gz RJKBYVFGNDKUJD-UHFFFAOYSA-N 1 2 358.463 2.651 20 30 FFEDLO N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000119432532 508795452 /nfs/dbraw/zinc/79/54/52/508795452.db2.gz LDIBLBHQPSOVMH-ZDUSSCGKSA-N 1 2 373.363 2.955 20 30 FFEDLO CCCCNC(=O)[C@H](C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000130840587 508854563 /nfs/dbraw/zinc/85/45/63/508854563.db2.gz WIUCHAWPXFNHNO-INIZCTEOSA-N 1 2 365.481 2.533 20 30 FFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000154909277 508880949 /nfs/dbraw/zinc/88/09/49/508880949.db2.gz IOURHMGLVVBUSN-UHFFFAOYSA-N 1 2 367.453 2.836 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc(C#N)c(Cl)c3)c[nH+]2)CCO1 ZINC000154917196 508882798 /nfs/dbraw/zinc/88/27/98/508882798.db2.gz XPHQYXWRAJVSGH-ZDUSSCGKSA-N 1 2 370.840 2.762 20 30 FFEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000159838721 508899585 /nfs/dbraw/zinc/89/95/85/508899585.db2.gz FWFDFWNXGSCEMR-KRWDZBQOSA-N 1 2 373.928 2.756 20 30 FFEDLO N#CCc1ccc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000125314136 508964046 /nfs/dbraw/zinc/96/40/46/508964046.db2.gz JJIYUJSROORIGC-UHFFFAOYSA-N 1 2 364.449 2.981 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)C(=O)NC1(C#N)CCCCC1 ZINC000151235463 508983392 /nfs/dbraw/zinc/98/33/92/508983392.db2.gz CPLCCDPKIULTFL-JKSUJKDBSA-N 1 2 366.469 2.649 20 30 FFEDLO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cn(-c2ccccc2)nn1 ZINC000151257751 508987923 /nfs/dbraw/zinc/98/79/23/508987923.db2.gz USJAIOPXLAVNSA-DNVCBOLYSA-N 1 2 372.432 2.595 20 30 FFEDLO COc1ccc(OC)c2c1C[N@H+](Cc1ccc(C#N)cc1OC)C[C@@H]2O ZINC000120630784 509035395 /nfs/dbraw/zinc/03/53/95/509035395.db2.gz QWVSNTKYOWPGKP-INIZCTEOSA-N 1 2 354.406 2.633 20 30 FFEDLO COc1ccc(OC)c2c1C[N@@H+](Cc1ccc(C#N)cc1OC)C[C@@H]2O ZINC000120630784 509035399 /nfs/dbraw/zinc/03/53/99/509035399.db2.gz QWVSNTKYOWPGKP-INIZCTEOSA-N 1 2 354.406 2.633 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000155623754 509039331 /nfs/dbraw/zinc/03/93/31/509039331.db2.gz ISBRJZAUBLAYHI-OAHLLOKOSA-N 1 2 351.841 2.564 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000155623754 509039334 /nfs/dbraw/zinc/03/93/34/509039334.db2.gz ISBRJZAUBLAYHI-OAHLLOKOSA-N 1 2 351.841 2.564 20 30 FFEDLO N#Cc1cc(C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)ccc1F ZINC000120727740 509053839 /nfs/dbraw/zinc/05/38/39/509053839.db2.gz PSAMKLRUVGGURQ-UHFFFAOYSA-N 1 2 370.403 2.593 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1)C1CC1 ZINC000133196686 509130822 /nfs/dbraw/zinc/13/08/22/509130822.db2.gz YNGHELSKLNIBIH-KXBFYZLASA-N 1 2 361.873 2.992 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1)C1CC1 ZINC000133196686 509130825 /nfs/dbraw/zinc/13/08/25/509130825.db2.gz YNGHELSKLNIBIH-KXBFYZLASA-N 1 2 361.873 2.992 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OC)c(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000121159663 509141871 /nfs/dbraw/zinc/14/18/71/509141871.db2.gz GSKMUYFYQOJUOW-ZDUSSCGKSA-N 1 2 374.300 2.633 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OC)c(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000121159663 509141873 /nfs/dbraw/zinc/14/18/73/509141873.db2.gz GSKMUYFYQOJUOW-ZDUSSCGKSA-N 1 2 374.300 2.633 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000121454184 509174752 /nfs/dbraw/zinc/17/47/52/509174752.db2.gz BQQBMAWQNRRTCD-FQEVSTJZSA-N 1 2 366.421 2.856 20 30 FFEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1C ZINC000191840417 509206707 /nfs/dbraw/zinc/20/67/07/509206707.db2.gz FDXLRQJIOIDLBH-CVEARBPZSA-N 1 2 367.449 2.869 20 30 FFEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1C ZINC000191840417 509206715 /nfs/dbraw/zinc/20/67/15/509206715.db2.gz FDXLRQJIOIDLBH-CVEARBPZSA-N 1 2 367.449 2.869 20 30 FFEDLO Cc1ccc([C@@H](CNc2nc3ccccn3c2C#N)[NH+]2CCOCC2)o1 ZINC000263962154 509250487 /nfs/dbraw/zinc/25/04/87/509250487.db2.gz IPZODLALFCLCSM-MRXNPFEDSA-N 1 2 351.410 2.593 20 30 FFEDLO C=CCOc1cccc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000162641812 509270487 /nfs/dbraw/zinc/27/04/87/509270487.db2.gz QRSAMQMLQRCKBP-UHFFFAOYSA-N 1 2 352.438 2.996 20 30 FFEDLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)cc1 ZINC000179185040 509310376 /nfs/dbraw/zinc/31/03/76/509310376.db2.gz DHCOXDNLFFJUKA-UHFFFAOYSA-N 1 2 365.433 2.533 20 30 FFEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000267068623 509333062 /nfs/dbraw/zinc/33/30/62/509333062.db2.gz VHGFEEWEWDJUOI-HAWMADMCSA-N 1 2 369.490 2.605 20 30 FFEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000267068623 509333068 /nfs/dbraw/zinc/33/30/68/509333068.db2.gz VHGFEEWEWDJUOI-HAWMADMCSA-N 1 2 369.490 2.605 20 30 FFEDLO O=S(=O)(NC1CC[NH+](CC#Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000192085885 509339726 /nfs/dbraw/zinc/33/97/26/509339726.db2.gz UIBJEVPDTGZBJA-UHFFFAOYSA-N 1 2 372.465 2.620 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000189015946 509370863 /nfs/dbraw/zinc/37/08/63/509370863.db2.gz IPLYNARSBQQMJN-UHFFFAOYSA-N 1 2 363.330 2.894 20 30 FFEDLO C=CC[C@@H](CO)NC(=O)c1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000185932664 509434617 /nfs/dbraw/zinc/43/46/17/509434617.db2.gz DISWWFNPWOTWMI-KRWDZBQOSA-N 1 2 365.433 2.889 20 30 FFEDLO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(C#N)s1 ZINC000179605053 509533030 /nfs/dbraw/zinc/53/30/30/509533030.db2.gz MNEPWRTWOYZUMU-UHFFFAOYSA-N 1 2 357.435 2.852 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(C#N)s1 ZINC000179605053 509533033 /nfs/dbraw/zinc/53/30/33/509533033.db2.gz MNEPWRTWOYZUMU-UHFFFAOYSA-N 1 2 357.435 2.852 20 30 FFEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000264493009 509561692 /nfs/dbraw/zinc/56/16/92/509561692.db2.gz SZCOBTJOBJARAC-ZIAGYGMSSA-N 1 2 361.467 2.514 20 30 FFEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000264493009 509561699 /nfs/dbraw/zinc/56/16/99/509561699.db2.gz SZCOBTJOBJARAC-ZIAGYGMSSA-N 1 2 361.467 2.514 20 30 FFEDLO CC[C@]1(C)C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CCO1 ZINC000248985061 509564331 /nfs/dbraw/zinc/56/43/31/509564331.db2.gz WFBSFFITAMBSKH-OXQOHEQNSA-N 1 2 359.470 2.831 20 30 FFEDLO CC[C@]1(C)C[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CCO1 ZINC000248985061 509564335 /nfs/dbraw/zinc/56/43/35/509564335.db2.gz WFBSFFITAMBSKH-OXQOHEQNSA-N 1 2 359.470 2.831 20 30 FFEDLO CCOC(=O)C[N@H+]([C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C ZINC000192626769 509570682 /nfs/dbraw/zinc/57/06/82/509570682.db2.gz UYDOECYSYBNVBD-KRWDZBQOSA-N 1 2 357.454 2.717 20 30 FFEDLO CCOC(=O)C[N@@H+]([C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C ZINC000192626769 509570685 /nfs/dbraw/zinc/57/06/85/509570685.db2.gz UYDOECYSYBNVBD-KRWDZBQOSA-N 1 2 357.454 2.717 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c(C#N)c1C ZINC000183399720 509763544 /nfs/dbraw/zinc/76/35/44/509763544.db2.gz LALLZLUJCVDTME-INIZCTEOSA-N 1 2 357.385 2.999 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c(C#N)c1C ZINC000183399720 509763547 /nfs/dbraw/zinc/76/35/47/509763547.db2.gz LALLZLUJCVDTME-INIZCTEOSA-N 1 2 357.385 2.999 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000268188689 509804547 /nfs/dbraw/zinc/80/45/47/509804547.db2.gz XHILXTCCHQTFFR-GOSISDBHSA-N 1 2 355.825 2.742 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000268188689 509804551 /nfs/dbraw/zinc/80/45/51/509804551.db2.gz XHILXTCCHQTFFR-GOSISDBHSA-N 1 2 355.825 2.742 20 30 FFEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000173857772 509820240 /nfs/dbraw/zinc/82/02/40/509820240.db2.gz ZWTLEXVPIOXJIF-KSSFIOAISA-N 1 2 351.441 2.724 20 30 FFEDLO C=CCNC(=O)[C@H](C)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000173857772 509820246 /nfs/dbraw/zinc/82/02/46/509820246.db2.gz ZWTLEXVPIOXJIF-KSSFIOAISA-N 1 2 351.441 2.724 20 30 FFEDLO N#Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)ccn1 ZINC000193224387 509825971 /nfs/dbraw/zinc/82/59/71/509825971.db2.gz FVMYNOXTDBELFS-AWEZNQCLSA-N 1 2 356.376 2.626 20 30 FFEDLO N#Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)ccn1 ZINC000193224387 509825978 /nfs/dbraw/zinc/82/59/78/509825978.db2.gz FVMYNOXTDBELFS-AWEZNQCLSA-N 1 2 356.376 2.626 20 30 FFEDLO COC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H](C)O1 ZINC000251933026 509827795 /nfs/dbraw/zinc/82/77/95/509827795.db2.gz UAYSCCWAQHZLRM-GGPKGHCWSA-N 1 2 373.497 2.674 20 30 FFEDLO COC[C@@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H](C)O1 ZINC000251933026 509827799 /nfs/dbraw/zinc/82/77/99/509827799.db2.gz UAYSCCWAQHZLRM-GGPKGHCWSA-N 1 2 373.497 2.674 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173902280 509843493 /nfs/dbraw/zinc/84/34/93/509843493.db2.gz GYDOEMSQPPUSIA-HOTGVXAUSA-N 1 2 374.510 2.877 20 30 FFEDLO N#Cc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(F)c1 ZINC000170931612 509854766 /nfs/dbraw/zinc/85/47/66/509854766.db2.gz UIHTZAOURLAJBB-UHFFFAOYSA-N 1 2 365.324 2.721 20 30 FFEDLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183644960 509902022 /nfs/dbraw/zinc/90/20/22/509902022.db2.gz TYAIFZFWTFIPTH-UHFFFAOYSA-N 1 2 371.404 2.690 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000171110692 509950490 /nfs/dbraw/zinc/95/04/90/509950490.db2.gz XYOTZFJYGROANU-UHFFFAOYSA-N 1 2 365.433 2.556 20 30 FFEDLO CO/N=C/c1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1 ZINC000265338693 509999651 /nfs/dbraw/zinc/99/96/51/509999651.db2.gz UUKZZCOFTQGDJV-SITPEIFSSA-N 1 2 352.438 2.581 20 30 FFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000183869061 510013813 /nfs/dbraw/zinc/01/38/13/510013813.db2.gz JXSIKLSJWIMUCL-CQSZACIVSA-N 1 2 358.471 2.769 20 30 FFEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000245798507 510149753 /nfs/dbraw/zinc/14/97/53/510149753.db2.gz PAJVPKTZWSIPHT-DYWHQCQKSA-N 1 2 360.502 2.651 20 30 FFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000245798507 510149759 /nfs/dbraw/zinc/14/97/59/510149759.db2.gz PAJVPKTZWSIPHT-DYWHQCQKSA-N 1 2 360.502 2.651 20 30 FFEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000177728496 510221569 /nfs/dbraw/zinc/22/15/69/510221569.db2.gz RKUDVVIIIFZNIY-YYUOZPCZSA-N 1 2 361.492 2.989 20 30 FFEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000177728496 510221576 /nfs/dbraw/zinc/22/15/76/510221576.db2.gz RKUDVVIIIFZNIY-YYUOZPCZSA-N 1 2 361.492 2.989 20 30 FFEDLO C=C(C)[C@@H](NC(=O)N[C@H](C)C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000187373712 510226562 /nfs/dbraw/zinc/22/65/62/510226562.db2.gz POOPCDQUGACTBH-CXAGYDPISA-N 1 2 353.413 2.602 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)NCc1cc(C#N)ccc1F ZINC000174665881 510239111 /nfs/dbraw/zinc/23/91/11/510239111.db2.gz YNHYIRNCMYUUGD-UHFFFAOYSA-N 1 2 351.385 2.855 20 30 FFEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000181148851 510287227 /nfs/dbraw/zinc/28/72/27/510287227.db2.gz AXLYMKLTTHOWNI-CYBMUJFWSA-N 1 2 369.284 2.801 20 30 FFEDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000181148851 510287233 /nfs/dbraw/zinc/28/72/33/510287233.db2.gz AXLYMKLTTHOWNI-CYBMUJFWSA-N 1 2 369.284 2.801 20 30 FFEDLO C=CC[NH+]1CCC(NC(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000171811628 510385818 /nfs/dbraw/zinc/38/58/18/510385818.db2.gz GKQYDRRLQNRDKB-UHFFFAOYSA-N 1 2 363.259 2.706 20 30 FFEDLO C=CCOc1ccc(CN2CC[NH+](Cc3ccncc3)CC2)cc1OC ZINC000171919211 510451409 /nfs/dbraw/zinc/45/14/09/510451409.db2.gz YIYWARPWWGFJNO-UHFFFAOYSA-N 1 2 353.466 2.973 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3ccncc3)CC2)cc1OC ZINC000171919211 510451415 /nfs/dbraw/zinc/45/14/15/510451415.db2.gz YIYWARPWWGFJNO-UHFFFAOYSA-N 1 2 353.466 2.973 20 30 FFEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194741078 510505731 /nfs/dbraw/zinc/50/57/31/510505731.db2.gz DTFLPXGRPARBBD-QKLQHJQFSA-N 1 2 373.497 2.529 20 30 FFEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194741078 510505734 /nfs/dbraw/zinc/50/57/34/510505734.db2.gz DTFLPXGRPARBBD-QKLQHJQFSA-N 1 2 373.497 2.529 20 30 FFEDLO COCC[N@H+](CC(=O)N1c2ccccc2C[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000195001928 510627732 /nfs/dbraw/zinc/62/77/32/510627732.db2.gz FAKVMKDOHMINEF-KRWDZBQOSA-N 1 2 363.461 2.984 20 30 FFEDLO COCC[N@@H+](CC(=O)N1c2ccccc2C[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000195001928 510627737 /nfs/dbraw/zinc/62/77/37/510627737.db2.gz FAKVMKDOHMINEF-KRWDZBQOSA-N 1 2 363.461 2.984 20 30 FFEDLO COc1ccc(C#N)cc1C[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000178502472 510635189 /nfs/dbraw/zinc/63/51/89/510635189.db2.gz SUFGJQXRADXMIQ-UHFFFAOYSA-N 1 2 356.470 2.727 20 30 FFEDLO Cc1ccc([C@H](CNC(=O)c2ccc(CC#N)cc2)[NH+]2CCOCC2)cc1 ZINC000270277754 510743609 /nfs/dbraw/zinc/74/36/09/510743609.db2.gz LXMXHSRSWWPEEA-NRFANRHFSA-N 1 2 363.461 2.864 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178793384 510775987 /nfs/dbraw/zinc/77/59/87/510775987.db2.gz YKNANYIYMRYVNT-PWECECGKSA-N 1 2 355.463 2.755 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178793384 510775990 /nfs/dbraw/zinc/77/59/90/510775990.db2.gz YKNANYIYMRYVNT-PWECECGKSA-N 1 2 355.463 2.755 20 30 FFEDLO COC(=O)C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC000178811376 510785754 /nfs/dbraw/zinc/78/57/54/510785754.db2.gz HTRZCXZYXZLOHR-IBGZPJMESA-N 1 2 350.418 2.989 20 30 FFEDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC000178811376 510785758 /nfs/dbraw/zinc/78/57/58/510785758.db2.gz HTRZCXZYXZLOHR-IBGZPJMESA-N 1 2 350.418 2.989 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3ccco3)C2)c(OC)c1 ZINC000247099034 510834250 /nfs/dbraw/zinc/83/42/50/510834250.db2.gz YZKNGCXKPDECRO-LAUBAEHRSA-N 1 2 373.449 2.830 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3ccco3)C2)c(OC)c1 ZINC000247099034 510834255 /nfs/dbraw/zinc/83/42/55/510834255.db2.gz YZKNGCXKPDECRO-LAUBAEHRSA-N 1 2 373.449 2.830 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000247211848 510852082 /nfs/dbraw/zinc/85/20/82/510852082.db2.gz XWMONUVWVKJHEQ-GXTWGEPZSA-N 1 2 361.442 2.759 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000247211848 510852083 /nfs/dbraw/zinc/85/20/83/510852083.db2.gz XWMONUVWVKJHEQ-GXTWGEPZSA-N 1 2 361.442 2.759 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000247219923 510852960 /nfs/dbraw/zinc/85/29/60/510852960.db2.gz YKNANYIYMRYVNT-DLUDVSRJSA-N 1 2 355.463 2.755 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000247219923 510852962 /nfs/dbraw/zinc/85/29/62/510852962.db2.gz YKNANYIYMRYVNT-DLUDVSRJSA-N 1 2 355.463 2.755 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000275370891 510888413 /nfs/dbraw/zinc/88/84/13/510888413.db2.gz YAABQYOYBDWNCG-KRWDZBQOSA-N 1 2 366.469 2.742 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1C[C@]12CCOC2 ZINC000329981238 510892715 /nfs/dbraw/zinc/89/27/15/510892715.db2.gz MWODSSMASXXWCH-DNUAJFIVSA-N 1 2 351.422 2.587 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1C[C@]12CCOC2 ZINC000329981238 510892718 /nfs/dbraw/zinc/89/27/18/510892718.db2.gz MWODSSMASXXWCH-DNUAJFIVSA-N 1 2 351.422 2.587 20 30 FFEDLO O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330000644 510896937 /nfs/dbraw/zinc/89/69/37/510896937.db2.gz WUTLQCRQGSFRCU-KRWDZBQOSA-N 1 2 373.501 2.684 20 30 FFEDLO O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330000644 510896941 /nfs/dbraw/zinc/89/69/41/510896941.db2.gz WUTLQCRQGSFRCU-KRWDZBQOSA-N 1 2 373.501 2.684 20 30 FFEDLO C=CCn1c(CCC(C)C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000282236826 510897839 /nfs/dbraw/zinc/89/78/39/510897839.db2.gz JTRCTGHQBKOATR-UHFFFAOYSA-N 1 2 358.490 2.671 20 30 FFEDLO CC[C@@H](C)n1ncc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1C ZINC000330101419 510916617 /nfs/dbraw/zinc/91/66/17/510916617.db2.gz FMOFXAIZJOEYME-NVXWUHKLSA-N 1 2 363.506 2.895 20 30 FFEDLO Cc1noc([C@@H]2CCCC[N@@H+]2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000285463052 510916795 /nfs/dbraw/zinc/91/67/95/510916795.db2.gz AIHPLXBRNQVPKU-ROUUACIJSA-N 1 2 365.437 2.972 20 30 FFEDLO Cc1noc([C@@H]2CCCC[N@H+]2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000285463052 510916801 /nfs/dbraw/zinc/91/68/01/510916801.db2.gz AIHPLXBRNQVPKU-ROUUACIJSA-N 1 2 365.437 2.972 20 30 FFEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCO[C@H](C2CC2)C1 ZINC000330140516 510924440 /nfs/dbraw/zinc/92/44/40/510924440.db2.gz PNZLYTHHIJGNEW-HNNXBMFYSA-N 1 2 350.488 2.785 20 30 FFEDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)N1CCO[C@@H](C2CC2)C1 ZINC000330142195 510924830 /nfs/dbraw/zinc/92/48/30/510924830.db2.gz QKSINHNFYGGSLF-GOSISDBHSA-N 1 2 358.486 2.987 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000330156277 510927075 /nfs/dbraw/zinc/92/70/75/510927075.db2.gz YSCJEIOUOMEHCE-KBXCAEBGSA-N 1 2 357.454 2.901 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000330156277 510927078 /nfs/dbraw/zinc/92/70/78/510927078.db2.gz YSCJEIOUOMEHCE-KBXCAEBGSA-N 1 2 357.454 2.901 20 30 FFEDLO CCc1nc(C)c(NC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)s1 ZINC000330328784 510964223 /nfs/dbraw/zinc/96/42/23/510964223.db2.gz LYCPFCUYGGWXJT-GFCCVEGCSA-N 1 2 365.503 2.684 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330339303 510969752 /nfs/dbraw/zinc/96/97/52/510969752.db2.gz WNBDCCMDIGTQST-XYVMCAHJSA-N 1 2 364.490 2.739 20 30 FFEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1)c1ccccc1 ZINC000277734923 510970362 /nfs/dbraw/zinc/97/03/62/510970362.db2.gz KISVQGQRLDIWPN-PBHICJAKSA-N 1 2 369.387 2.568 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1)c1ccccc1 ZINC000277734923 510970367 /nfs/dbraw/zinc/97/03/67/510970367.db2.gz KISVQGQRLDIWPN-PBHICJAKSA-N 1 2 369.387 2.568 20 30 FFEDLO COc1ccc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1Br ZINC000330390436 510976854 /nfs/dbraw/zinc/97/68/54/510976854.db2.gz FITCYOCFSVADKS-UHFFFAOYSA-N 1 2 371.275 2.873 20 30 FFEDLO COc1ccc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1Br ZINC000330390436 510976857 /nfs/dbraw/zinc/97/68/57/510976857.db2.gz FITCYOCFSVADKS-UHFFFAOYSA-N 1 2 371.275 2.873 20 30 FFEDLO COCCN(C)c1ccc(/C=C2/COc3ccc([N+](=O)[O-])cc3C2=O)c[nH+]1 ZINC000278894090 511013345 /nfs/dbraw/zinc/01/33/45/511013345.db2.gz XRQDDCSYFXSHDW-ZROIWOOFSA-N 1 2 369.377 2.731 20 30 FFEDLO CCC(CC)(CC)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330740489 511014918 /nfs/dbraw/zinc/01/49/18/511014918.db2.gz QZNCRSKEVRGGES-UHFFFAOYSA-N 1 2 361.490 2.573 20 30 FFEDLO CNC(=O)C(C)(C)CNC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000330777512 511015600 /nfs/dbraw/zinc/01/56/00/511015600.db2.gz KFTTXJKFRKAUER-AWEZNQCLSA-N 1 2 361.490 2.867 20 30 FFEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000330847596 511023264 /nfs/dbraw/zinc/02/32/64/511023264.db2.gz PGXIPTIIVCYUDG-PRHODGIISA-N 1 2 358.186 2.948 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2CC(F)F)c(OC)c1 ZINC000286489146 511025988 /nfs/dbraw/zinc/02/59/88/511025988.db2.gz OVADEZQKVOKVCQ-JKSUJKDBSA-N 1 2 371.424 2.519 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@@H]2CC(F)F)c(OC)c1 ZINC000286489146 511025994 /nfs/dbraw/zinc/02/59/94/511025994.db2.gz OVADEZQKVOKVCQ-JKSUJKDBSA-N 1 2 371.424 2.519 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000271047513 511068646 /nfs/dbraw/zinc/06/86/46/511068646.db2.gz RUGVOSMKLIHZDQ-INIZCTEOSA-N 1 2 355.467 2.583 20 30 FFEDLO CN(C(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1)C1(C#N)CCCCC1 ZINC000331607345 511069870 /nfs/dbraw/zinc/06/98/70/511069870.db2.gz OTZQCEBVMZYUGY-ROUUACIJSA-N 1 2 359.445 2.618 20 30 FFEDLO CN(C(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1)C1(C#N)CCCCC1 ZINC000331607345 511069875 /nfs/dbraw/zinc/06/98/75/511069875.db2.gz OTZQCEBVMZYUGY-ROUUACIJSA-N 1 2 359.445 2.618 20 30 FFEDLO COC(=O)[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc2c(c1)CCO2 ZINC000297808192 511074586 /nfs/dbraw/zinc/07/45/86/511074586.db2.gz XXMMFZJYSYDWPH-SFHVURJKSA-N 1 2 358.438 2.526 20 30 FFEDLO N#Cc1cc(Br)ccc1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000294582719 511111700 /nfs/dbraw/zinc/11/17/00/511111700.db2.gz YCOTUPXKADPLGP-UHFFFAOYSA-N 1 2 374.238 2.872 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC000290410286 511136438 /nfs/dbraw/zinc/13/64/38/511136438.db2.gz JCCBKJMGPNHKDQ-UHFFFAOYSA-N 1 2 356.336 2.734 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000298088835 511171065 /nfs/dbraw/zinc/17/10/65/511171065.db2.gz LYHMUBBJYHMSTD-UHFFFAOYSA-N 1 2 374.366 2.930 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(=O)oc3c(C)c(O)ccc23)n1 ZINC000279688880 511178210 /nfs/dbraw/zinc/17/82/10/511178210.db2.gz HNBSVYIJLRZOEJ-UHFFFAOYSA-N 1 2 351.406 2.659 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(=O)oc3c(C)c(O)ccc23)n1 ZINC000279688880 511178216 /nfs/dbraw/zinc/17/82/16/511178216.db2.gz HNBSVYIJLRZOEJ-UHFFFAOYSA-N 1 2 351.406 2.659 20 30 FFEDLO N#Cc1ccc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1Cl ZINC000298387236 511266924 /nfs/dbraw/zinc/26/69/24/511266924.db2.gz JFNPYHUMJRTRCJ-UHFFFAOYSA-N 1 2 355.829 2.956 20 30 FFEDLO C=CCOc1ccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1OC ZINC000362964839 511280401 /nfs/dbraw/zinc/28/04/01/511280401.db2.gz QQFOWTIPOXVGGL-UHFFFAOYSA-N 1 2 355.438 2.765 20 30 FFEDLO C=CCC(C)(C)CNC(=O)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000298818897 511419174 /nfs/dbraw/zinc/41/91/74/511419174.db2.gz BEZHYOPAEJHRTH-UHFFFAOYSA-N 1 2 370.453 2.619 20 30 FFEDLO Cc1cc(NC(=O)NCCCn2c(C)[nH+]c3ccccc32)nn1CCC#N ZINC000272083444 511426540 /nfs/dbraw/zinc/42/65/40/511426540.db2.gz LXORBJOZBIOPNZ-UHFFFAOYSA-N 1 2 365.441 2.975 20 30 FFEDLO C=CC[N@H+](CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1F ZINC000298979349 511472329 /nfs/dbraw/zinc/47/23/29/511472329.db2.gz IUHLJFKQDSATRO-UHFFFAOYSA-N 1 2 362.445 2.616 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1F ZINC000298979349 511472334 /nfs/dbraw/zinc/47/23/34/511472334.db2.gz IUHLJFKQDSATRO-UHFFFAOYSA-N 1 2 362.445 2.616 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)Nc1cc(C#N)ccc1C ZINC000280543842 511505259 /nfs/dbraw/zinc/50/52/59/511505259.db2.gz IEHATMODAFGJGT-QGZVFWFLSA-N 1 2 365.437 2.775 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)Nc1cc(C#N)ccc1C ZINC000280543839 511505554 /nfs/dbraw/zinc/50/55/54/511505554.db2.gz IEHATMODAFGJGT-KRWDZBQOSA-N 1 2 365.437 2.775 20 30 FFEDLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292261750 511528207 /nfs/dbraw/zinc/52/82/07/511528207.db2.gz RMKOAMUDCAFVKO-HIFRSBDPSA-N 1 2 361.405 2.554 20 30 FFEDLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292261750 511528213 /nfs/dbraw/zinc/52/82/13/511528213.db2.gz RMKOAMUDCAFVKO-HIFRSBDPSA-N 1 2 361.405 2.554 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000280617974 511534378 /nfs/dbraw/zinc/53/43/78/511534378.db2.gz BJKNAYMCLUNCJZ-ICSRJNTNSA-N 1 2 368.481 2.906 20 30 FFEDLO COc1ccc(NC(=O)CC[N@H+](CCC#N)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000299355492 511605422 /nfs/dbraw/zinc/60/54/22/511605422.db2.gz RBOAVAYDQLYGLM-UHFFFAOYSA-N 1 2 372.381 2.941 20 30 FFEDLO COc1ccc(NC(=O)CC[N@@H+](CCC#N)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000299355492 511605426 /nfs/dbraw/zinc/60/54/26/511605426.db2.gz RBOAVAYDQLYGLM-UHFFFAOYSA-N 1 2 372.381 2.941 20 30 FFEDLO CSc1nc(C2CC2)cc(-c2nc(Cc3c[nH+]cn3C)no2)c1C#N ZINC000350198634 511742791 /nfs/dbraw/zinc/74/27/91/511742791.db2.gz PBLXZMNUPCSNIK-UHFFFAOYSA-N 1 2 352.423 2.927 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)ccc1OC ZINC000292891709 511760993 /nfs/dbraw/zinc/76/09/93/511760993.db2.gz ZAWWIMWPBIYJQX-INIZCTEOSA-N 1 2 353.484 2.517 20 30 FFEDLO C=C(C)COc1cc(C[N@H+]2CC[C@H](CS(C)(=O)=O)C2)ccc1OC ZINC000292891709 511760999 /nfs/dbraw/zinc/76/09/99/511760999.db2.gz ZAWWIMWPBIYJQX-INIZCTEOSA-N 1 2 353.484 2.517 20 30 FFEDLO C#CCOc1ccc(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000296493890 511766040 /nfs/dbraw/zinc/76/60/40/511766040.db2.gz FOXMEWMDMAQPQS-UHFFFAOYSA-N 1 2 364.449 2.693 20 30 FFEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)COc1ccc(C#N)cc1)CCCC2 ZINC000284692462 511826845 /nfs/dbraw/zinc/82/68/45/511826845.db2.gz SONSKIWKXWFDPO-IBGZPJMESA-N 1 2 364.449 2.913 20 30 FFEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000293123277 511848612 /nfs/dbraw/zinc/84/86/12/511848612.db2.gz PKGCMROVOGBLPK-OLZOCXBDSA-N 1 2 373.931 2.790 20 30 FFEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000293123277 511848619 /nfs/dbraw/zinc/84/86/19/511848619.db2.gz PKGCMROVOGBLPK-OLZOCXBDSA-N 1 2 373.931 2.790 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)c2nc3sc(C)c(C)c3c(N)n2)C1=O ZINC000281453633 511853808 /nfs/dbraw/zinc/85/38/08/511853808.db2.gz UUGAKBIRQVFNJH-AAEUAGOBSA-N 1 2 359.499 2.670 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2nc3sc(C)c(C)c3c(N)n2)C1=O ZINC000281453633 511853812 /nfs/dbraw/zinc/85/38/12/511853812.db2.gz UUGAKBIRQVFNJH-AAEUAGOBSA-N 1 2 359.499 2.670 20 30 FFEDLO CNS(=O)(=O)c1cccc2c1CC[N@@H+]([C@H](C)c1cccc(C#N)c1)C2 ZINC000284807842 511878294 /nfs/dbraw/zinc/87/82/94/511878294.db2.gz PBXBGIBLDDJPBC-CQSZACIVSA-N 1 2 355.463 2.586 20 30 FFEDLO CNS(=O)(=O)c1cccc2c1CC[N@H+]([C@H](C)c1cccc(C#N)c1)C2 ZINC000284807842 511878300 /nfs/dbraw/zinc/87/83/00/511878300.db2.gz PBXBGIBLDDJPBC-CQSZACIVSA-N 1 2 355.463 2.586 20 30 FFEDLO N#C[C@@H]1N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CCC[C@@]12CCCCO2 ZINC000366184254 511886716 /nfs/dbraw/zinc/88/67/16/511886716.db2.gz OXOZSMUPNKBRBX-ICSRJNTNSA-N 1 2 350.422 2.940 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCc1cc(F)cc3c1OCOC3)CCC2 ZINC000328638345 511903225 /nfs/dbraw/zinc/90/32/25/511903225.db2.gz BIZFFNHPPBSCNH-ZDUSSCGKSA-N 1 2 374.416 2.778 20 30 FFEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1)C(C)C ZINC000281671136 511926071 /nfs/dbraw/zinc/92/60/71/511926071.db2.gz ZHVCLHSBMLZRTF-QGZVFWFLSA-N 1 2 351.406 2.895 20 30 FFEDLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOCC12CCC2)C1CCCCC1 ZINC000328786679 511930329 /nfs/dbraw/zinc/93/03/29/511930329.db2.gz OQBLTPDMVIBCCY-KRWDZBQOSA-N 1 2 374.485 2.639 20 30 FFEDLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOCC12CCC2)C1CCCCC1 ZINC000328786679 511930337 /nfs/dbraw/zinc/93/03/37/511930337.db2.gz OQBLTPDMVIBCCY-KRWDZBQOSA-N 1 2 374.485 2.639 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@H]2CCc3n[nH]nc3C2)C[C@H](C)O1 ZINC000328792636 511932012 /nfs/dbraw/zinc/93/20/12/511932012.db2.gz RMASLSRMVQYTEV-ZNMIVQPWSA-N 1 2 369.469 2.807 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@H]2CCc3n[nH]nc3C2)C[C@H](C)O1 ZINC000328792636 511932018 /nfs/dbraw/zinc/93/20/18/511932018.db2.gz RMASLSRMVQYTEV-ZNMIVQPWSA-N 1 2 369.469 2.807 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CCS1 ZINC000328798318 511932112 /nfs/dbraw/zinc/93/21/12/511932112.db2.gz WPCFEGNNRAJGMF-CJNGLKHVSA-N 1 2 364.515 2.822 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CCS1 ZINC000328798318 511932115 /nfs/dbraw/zinc/93/21/15/511932115.db2.gz WPCFEGNNRAJGMF-CJNGLKHVSA-N 1 2 364.515 2.822 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CCS1 ZINC000328798319 511932710 /nfs/dbraw/zinc/93/27/10/511932710.db2.gz WPCFEGNNRAJGMF-CZUORRHYSA-N 1 2 364.515 2.822 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CCS1 ZINC000328798319 511932714 /nfs/dbraw/zinc/93/27/14/511932714.db2.gz WPCFEGNNRAJGMF-CZUORRHYSA-N 1 2 364.515 2.822 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1CCO[C@@H]1C1CC1)CC2 ZINC000328901213 511947455 /nfs/dbraw/zinc/94/74/55/511947455.db2.gz YUHZZSXTAUMQFD-OXQOHEQNSA-N 1 2 360.454 2.586 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1CCO[C@@H]1C1CC1)CC2 ZINC000328901213 511947461 /nfs/dbraw/zinc/94/74/61/511947461.db2.gz YUHZZSXTAUMQFD-OXQOHEQNSA-N 1 2 360.454 2.586 20 30 FFEDLO COc1cc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)ncc1Br ZINC000328955764 511956446 /nfs/dbraw/zinc/95/64/46/511956446.db2.gz YZHZBYZZIKBAJP-SECBINFHSA-N 1 2 351.204 2.900 20 30 FFEDLO CCN1CCOC[C@H]1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000329057429 511975163 /nfs/dbraw/zinc/97/51/63/511975163.db2.gz MOIYKPKHARECIQ-ZFWWWQNUSA-N 1 2 352.504 2.684 20 30 FFEDLO CCN1CCOC[C@H]1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000329057429 511975170 /nfs/dbraw/zinc/97/51/70/511975170.db2.gz MOIYKPKHARECIQ-ZFWWWQNUSA-N 1 2 352.504 2.684 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)[C@@H]1C ZINC000329165030 511997628 /nfs/dbraw/zinc/99/76/28/511997628.db2.gz HGSJASLPRVDHOX-WCXIOVBPSA-N 1 2 367.559 2.807 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)[C@@H]1C ZINC000329165030 511997622 /nfs/dbraw/zinc/99/76/22/511997622.db2.gz HGSJASLPRVDHOX-WCXIOVBPSA-N 1 2 367.559 2.807 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCOC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329308207 512023842 /nfs/dbraw/zinc/02/38/42/512023842.db2.gz QBYJWOFWBBNZBY-ISTRZQFTSA-N 1 2 371.403 2.922 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCOC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329308207 512023845 /nfs/dbraw/zinc/02/38/45/512023845.db2.gz QBYJWOFWBBNZBY-ISTRZQFTSA-N 1 2 371.403 2.922 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3C[C@@H]4CC[C@H](O)[C@H]4C3)n2)C1 ZINC000329329935 512027512 /nfs/dbraw/zinc/02/75/12/512027512.db2.gz LHBDTNVZJPYFDQ-VRKREXBASA-N 1 2 364.515 2.623 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3C[C@@H]4CC[C@H](O)[C@H]4C3)n2)C1 ZINC000329329935 512027516 /nfs/dbraw/zinc/02/75/16/512027516.db2.gz LHBDTNVZJPYFDQ-VRKREXBASA-N 1 2 364.515 2.623 20 30 FFEDLO Cc1nc([C@@H]2CCCN2C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)no1 ZINC000329355970 512032829 /nfs/dbraw/zinc/03/28/29/512032829.db2.gz FRGIVXJAQICNIA-ZDUSSCGKSA-N 1 2 360.805 2.930 20 30 FFEDLO CC[C@@H]1CCCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000329408749 512040940 /nfs/dbraw/zinc/04/09/40/512040940.db2.gz DGZURKMXOZBPDJ-MRXNPFEDSA-N 1 2 373.501 2.527 20 30 FFEDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCC[C@H]1C1CCOCC1 ZINC000329405806 512041067 /nfs/dbraw/zinc/04/10/67/512041067.db2.gz ATMUBTQFERXMSV-SFHVURJKSA-N 1 2 358.486 2.987 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285263700 512057838 /nfs/dbraw/zinc/05/78/38/512057838.db2.gz IAZBFUPSYDIGCW-APWZRJJASA-N 1 2 364.511 2.533 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285263700 512057844 /nfs/dbraw/zinc/05/78/44/512057844.db2.gz IAZBFUPSYDIGCW-APWZRJJASA-N 1 2 364.511 2.533 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Cn2ccc(C(F)(F)F)n2)CCO1 ZINC000329508288 512061077 /nfs/dbraw/zinc/06/10/77/512061077.db2.gz LZUTWDHGCWOYCS-PWSUYJOCSA-N 1 2 357.336 2.512 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C([O-])=[NH+]C3Cc4ccccc4C3)CC2)cc1 ZINC000329536968 512066486 /nfs/dbraw/zinc/06/64/86/512066486.db2.gz BICQTQYEVPMIDQ-UHFFFAOYSA-N 1 2 360.461 2.757 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC3Cc4ccccc4C3)CC2)cc1 ZINC000329536968 512066492 /nfs/dbraw/zinc/06/64/92/512066492.db2.gz BICQTQYEVPMIDQ-UHFFFAOYSA-N 1 2 360.461 2.757 20 30 FFEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCn2ncnc2C1 ZINC000329795533 512098363 /nfs/dbraw/zinc/09/83/63/512098363.db2.gz GOIFOZXSRGLFPW-UHFFFAOYSA-N 1 2 363.425 2.539 20 30 FFEDLO O=C(C[N@@H+]1CCO[C@]2(CCOC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000329899656 512106129 /nfs/dbraw/zinc/10/61/29/512106129.db2.gz NCXGBPZTFRNPFZ-OAQYLSRUSA-N 1 2 358.482 2.946 20 30 FFEDLO O=C(C[N@H+]1CCO[C@]2(CCOC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000329899656 512106130 /nfs/dbraw/zinc/10/61/30/512106130.db2.gz NCXGBPZTFRNPFZ-OAQYLSRUSA-N 1 2 358.482 2.946 20 30 FFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000375668482 512445239 /nfs/dbraw/zinc/44/52/39/512445239.db2.gz HELDSDQJWOMUGC-UHFFFAOYSA-N 1 2 364.409 2.974 20 30 FFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000375668482 512445242 /nfs/dbraw/zinc/44/52/42/512445242.db2.gz HELDSDQJWOMUGC-UHFFFAOYSA-N 1 2 364.409 2.974 20 30 FFEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000411136041 512484413 /nfs/dbraw/zinc/48/44/13/512484413.db2.gz OEIPZKKIFRBXEW-AWEZNQCLSA-N 1 2 350.875 2.929 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000375891554 512556028 /nfs/dbraw/zinc/55/60/28/512556028.db2.gz RKGUGEIYCSKMJV-FQEVSTJZSA-N 1 2 360.417 2.817 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000375891555 512556712 /nfs/dbraw/zinc/55/67/12/512556712.db2.gz RKGUGEIYCSKMJV-HXUWFJFHSA-N 1 2 360.417 2.817 20 30 FFEDLO Cc1cc(-c2noc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)n2)ccc1F ZINC000371934415 512642453 /nfs/dbraw/zinc/64/24/53/512642453.db2.gz SSNTZKHYEZAVNB-OLZOCXBDSA-N 1 2 359.405 2.595 20 30 FFEDLO N#Cc1cc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)ccc1OC(F)(F)F ZINC000374241572 512722881 /nfs/dbraw/zinc/72/28/81/512722881.db2.gz OADOJSFFKFJQTJ-JTQLQIEISA-N 1 2 350.300 2.854 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCC(C(=O)c3cccs3)CC2)c1 ZINC000370075886 512754713 /nfs/dbraw/zinc/75/47/13/512754713.db2.gz SAVSHHNTUROPTM-UHFFFAOYSA-N 1 2 367.474 2.831 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411947799 512885004 /nfs/dbraw/zinc/88/50/04/512885004.db2.gz PKMHPBFPRATWLV-FUHWJXTLSA-N 1 2 355.825 2.958 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411947799 512885007 /nfs/dbraw/zinc/88/50/07/512885007.db2.gz PKMHPBFPRATWLV-FUHWJXTLSA-N 1 2 355.825 2.958 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N2CCc3sccc3C2)CC1 ZINC000376594302 512889487 /nfs/dbraw/zinc/88/94/87/512889487.db2.gz DEQZEEWBMUPXDM-UHFFFAOYSA-N 1 2 366.490 2.585 20 30 FFEDLO CC(C)n1nccc1NC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376597093 512891059 /nfs/dbraw/zinc/89/10/59/512891059.db2.gz YRKKQYSSZQGHAJ-INIZCTEOSA-N 1 2 366.469 2.743 20 30 FFEDLO N#C[C@H](C1CCCCC1)n1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000368396181 512929391 /nfs/dbraw/zinc/92/93/91/512929391.db2.gz ACAFGADQDUSHAR-RTBURBONSA-N 1 2 366.469 2.892 20 30 FFEDLO N#C[C@H](C1CCCCC1)n1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000368396181 512929393 /nfs/dbraw/zinc/92/93/93/512929393.db2.gz ACAFGADQDUSHAR-RTBURBONSA-N 1 2 366.469 2.892 20 30 FFEDLO CC(C)(C#N)CCCn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000368405740 512933185 /nfs/dbraw/zinc/93/31/85/512933185.db2.gz UZKUCIGYDFOUKJ-KRWDZBQOSA-N 1 2 354.458 2.577 20 30 FFEDLO CC(C)(C#N)CCCn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000368405740 512933190 /nfs/dbraw/zinc/93/31/90/512933190.db2.gz UZKUCIGYDFOUKJ-KRWDZBQOSA-N 1 2 354.458 2.577 20 30 FFEDLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000407973629 512977843 /nfs/dbraw/zinc/97/78/43/512977843.db2.gz YUFFSEAEQGABFS-INIZCTEOSA-N 1 2 358.461 2.610 20 30 FFEDLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374896059 513059866 /nfs/dbraw/zinc/05/98/66/513059866.db2.gz OCGBYMDMZCHEHQ-APWZRJJASA-N 1 2 353.466 2.666 20 30 FFEDLO Cc1cc(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)cc(C)[nH+]1 ZINC000421251628 513178187 /nfs/dbraw/zinc/17/81/87/513178187.db2.gz QESUEZPDVCWKRJ-UHFFFAOYSA-N 1 2 366.421 2.612 20 30 FFEDLO C=C[C@H](CC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1ccccc1 ZINC000433973049 513202843 /nfs/dbraw/zinc/20/28/43/513202843.db2.gz DHSGWBJGTDOILP-MRXNPFEDSA-N 1 2 363.461 2.828 20 30 FFEDLO C=C[C@H](CC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1ccccc1 ZINC000433973049 513202847 /nfs/dbraw/zinc/20/28/47/513202847.db2.gz DHSGWBJGTDOILP-MRXNPFEDSA-N 1 2 363.461 2.828 20 30 FFEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000429244140 513313602 /nfs/dbraw/zinc/31/36/02/513313602.db2.gz JKDSSBGVVFFBKE-INIZCTEOSA-N 1 2 366.440 2.524 20 30 FFEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000429244140 513313605 /nfs/dbraw/zinc/31/36/05/513313605.db2.gz JKDSSBGVVFFBKE-INIZCTEOSA-N 1 2 366.440 2.524 20 30 FFEDLO COc1cc(C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)ccc1C#N ZINC000440631434 513367934 /nfs/dbraw/zinc/36/79/34/513367934.db2.gz ABVQZNXIGZKRAZ-CQSZACIVSA-N 1 2 367.413 2.612 20 30 FFEDLO COc1cc(C(=O)N2CCN(c3cc(C)[nH+]cc3C#N)CC2)ccc1C ZINC000425202826 513449922 /nfs/dbraw/zinc/44/99/22/513449922.db2.gz CXZPKRQJOUQDOY-UHFFFAOYSA-N 1 2 350.422 2.541 20 30 FFEDLO Cc1cc(NC[C@@H](O)COc2cccc(Cl)c2Cl)c(C#N)c[nH+]1 ZINC000425213357 513455551 /nfs/dbraw/zinc/45/55/51/513455551.db2.gz GVYMDKIJURMZIV-GFCCVEGCSA-N 1 2 352.221 2.842 20 30 FFEDLO Cc1ccnc(-c2noc(C[N@H+](C)CCOCc3ccc(C#N)cc3)n2)c1 ZINC000451037863 513477146 /nfs/dbraw/zinc/47/71/46/513477146.db2.gz QXELXLPDAIRKQE-UHFFFAOYSA-N 1 2 363.421 2.960 20 30 FFEDLO Cc1ccnc(-c2noc(C[N@@H+](C)CCOCc3ccc(C#N)cc3)n2)c1 ZINC000451037863 513477154 /nfs/dbraw/zinc/47/71/54/513477154.db2.gz QXELXLPDAIRKQE-UHFFFAOYSA-N 1 2 363.421 2.960 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000441083734 513478659 /nfs/dbraw/zinc/47/86/59/513478659.db2.gz GXECDUCDYROIJB-KXBFYZLASA-N 1 2 353.507 2.837 20 30 FFEDLO N#Cc1cccc(C2(C(=O)N3CCC[N@H+](Cc4cscn4)CC3)CC2)c1 ZINC000435001981 513486720 /nfs/dbraw/zinc/48/67/20/513486720.db2.gz YCHGWKRRHITTQW-UHFFFAOYSA-N 1 2 366.490 2.781 20 30 FFEDLO N#Cc1cccc(C2(C(=O)N3CCC[N@@H+](Cc4cscn4)CC3)CC2)c1 ZINC000435001981 513486727 /nfs/dbraw/zinc/48/67/27/513486727.db2.gz YCHGWKRRHITTQW-UHFFFAOYSA-N 1 2 366.490 2.781 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)cc1OC ZINC000429999007 513524089 /nfs/dbraw/zinc/52/40/89/513524089.db2.gz HIUZIHSRPYWNEM-HNNXBMFYSA-N 1 2 374.466 2.699 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425501477 513603617 /nfs/dbraw/zinc/60/36/17/513603617.db2.gz OGZRXRFYLBQMGD-OAHLLOKOSA-N 1 2 357.483 2.832 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425501477 513603625 /nfs/dbraw/zinc/60/36/25/513603625.db2.gz OGZRXRFYLBQMGD-OAHLLOKOSA-N 1 2 357.483 2.832 20 30 FFEDLO Cc1cccc2c1CC(C)(C)[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C2 ZINC000451256739 513627035 /nfs/dbraw/zinc/62/70/35/513627035.db2.gz ASSCSWMGBIPCLU-UHFFFAOYSA-N 1 2 369.490 2.872 20 30 FFEDLO Cc1cccc2c1CC(C)(C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C2 ZINC000451256739 513627042 /nfs/dbraw/zinc/62/70/42/513627042.db2.gz ASSCSWMGBIPCLU-UHFFFAOYSA-N 1 2 369.490 2.872 20 30 FFEDLO C[C@H](C#N)CN(C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000441934723 513648653 /nfs/dbraw/zinc/64/86/53/513648653.db2.gz OAYMILXECVMKNK-CQSZACIVSA-N 1 2 364.405 2.963 20 30 FFEDLO CC[C@H](C(=O)N[C@H]1CCCc2cc(C#N)ccc21)[N@@H+]1CCO[C@H](CC)C1 ZINC000416339492 513720152 /nfs/dbraw/zinc/72/01/52/513720152.db2.gz NLTPQOQOUOGYRH-YZGWKJHDSA-N 1 2 355.482 2.941 20 30 FFEDLO CC[C@H](C(=O)N[C@H]1CCCc2cc(C#N)ccc21)[N@H+]1CCO[C@H](CC)C1 ZINC000416339492 513720162 /nfs/dbraw/zinc/72/01/62/513720162.db2.gz NLTPQOQOUOGYRH-YZGWKJHDSA-N 1 2 355.482 2.941 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451436518 513751251 /nfs/dbraw/zinc/75/12/51/513751251.db2.gz RZPJHUVFWKATIQ-YVEFUNNKSA-N 1 2 369.437 2.579 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451436518 513751255 /nfs/dbraw/zinc/75/12/55/513751255.db2.gz RZPJHUVFWKATIQ-YVEFUNNKSA-N 1 2 369.437 2.579 20 30 FFEDLO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)ccc1Oc1cc[nH+]cc1 ZINC000425817167 513760161 /nfs/dbraw/zinc/76/01/61/513760161.db2.gz YDZIMBSBQPQALA-GOEBONIOSA-N 1 2 364.405 2.929 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCC(=O)C3CC3)CC2)cc1 ZINC000448621484 513815663 /nfs/dbraw/zinc/81/56/63/513815663.db2.gz JVIJQWJADJIYGG-UHFFFAOYSA-N 1 2 353.466 2.742 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCCC(=O)C3CC3)CC2)cc1 ZINC000448621484 513815671 /nfs/dbraw/zinc/81/56/71/513815671.db2.gz JVIJQWJADJIYGG-UHFFFAOYSA-N 1 2 353.466 2.742 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1Cl)C1CC1 ZINC000451540057 513819287 /nfs/dbraw/zinc/81/92/87/513819287.db2.gz WHRWXJDHLJKHMZ-HNNXBMFYSA-N 1 2 364.858 2.569 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000431137897 513835509 /nfs/dbraw/zinc/83/55/09/513835509.db2.gz KYUZMGCQMGFANJ-NEPJUHHUSA-N 1 2 355.280 2.703 20 30 FFEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccsc1 ZINC000443085791 513866730 /nfs/dbraw/zinc/86/67/30/513866730.db2.gz CZHOKWQQLSMPNV-AWEZNQCLSA-N 1 2 369.899 2.854 20 30 FFEDLO N#CCCn1cc(C(=O)C[NH+]2CCC(O)(C(F)F)CC2)c2ccccc21 ZINC000426236213 513879239 /nfs/dbraw/zinc/87/92/39/513879239.db2.gz GRCGSBHHOQKUJQ-UHFFFAOYSA-N 1 2 361.392 2.830 20 30 FFEDLO COc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1cccc(C#N)c1)CCO2 ZINC000451640106 513880328 /nfs/dbraw/zinc/88/03/28/513880328.db2.gz CDPVJOOWFGTAFI-CQSZACIVSA-N 1 2 351.406 2.788 20 30 FFEDLO COc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1cccc(C#N)c1)CCO2 ZINC000451640106 513880332 /nfs/dbraw/zinc/88/03/32/513880332.db2.gz CDPVJOOWFGTAFI-CQSZACIVSA-N 1 2 351.406 2.788 20 30 FFEDLO Cn1c2ccccc2nc1-c1cccc(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000414135644 513985070 /nfs/dbraw/zinc/98/50/70/513985070.db2.gz CSZCICOZSQFHDQ-KRWDZBQOSA-N 1 2 364.449 2.825 20 30 FFEDLO Cn1c2ccccc2nc1-c1cccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414135644 513985073 /nfs/dbraw/zinc/98/50/73/513985073.db2.gz CSZCICOZSQFHDQ-KRWDZBQOSA-N 1 2 364.449 2.825 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(C(=O)Nc2ccccc2)c1 ZINC000414144513 513987081 /nfs/dbraw/zinc/98/70/81/513987081.db2.gz ONMXCASYPGKAAP-GOSISDBHSA-N 1 2 353.422 2.524 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(C(=O)Nc2ccccc2)c1 ZINC000414144513 513987089 /nfs/dbraw/zinc/98/70/89/513987089.db2.gz ONMXCASYPGKAAP-GOSISDBHSA-N 1 2 353.422 2.524 20 30 FFEDLO Cc1cc(Cl)cc(Br)c1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414151354 513990520 /nfs/dbraw/zinc/99/05/20/513990520.db2.gz WJBXIBAQJLNTLE-GFCCVEGCSA-N 1 2 361.667 2.996 20 30 FFEDLO Cc1cc(Cl)cc(Br)c1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414151354 513990513 /nfs/dbraw/zinc/99/05/13/513990513.db2.gz WJBXIBAQJLNTLE-GFCCVEGCSA-N 1 2 361.667 2.996 20 30 FFEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000451928746 514078134 /nfs/dbraw/zinc/07/81/34/514078134.db2.gz MJSIJBDJMXMFGV-JTQLQIEISA-N 1 2 372.372 2.833 20 30 FFEDLO Cc1cc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1C#N ZINC000443962351 514083550 /nfs/dbraw/zinc/08/35/50/514083550.db2.gz RNBRBPGVTQAMHQ-UHFFFAOYSA-N 1 2 352.419 2.531 20 30 FFEDLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000432302657 514153736 /nfs/dbraw/zinc/15/37/36/514153736.db2.gz QUQAUDWFBBNOGW-QGZVFWFLSA-N 1 2 370.409 2.831 20 30 FFEDLO C=CCCOCCNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000427337852 514187987 /nfs/dbraw/zinc/18/79/87/514187987.db2.gz NLSSMWXCSXNUCI-UHFFFAOYSA-N 1 2 369.421 2.830 20 30 FFEDLO C=CC[N@H+](Cc1c(Cl)cnn1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000438101844 514306601 /nfs/dbraw/zinc/30/66/01/514306601.db2.gz HENCPWLGUWNKNT-ZDUSSCGKSA-N 1 2 357.849 2.798 20 30 FFEDLO C=CC[N@@H+](Cc1c(Cl)cnn1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000438101844 514306611 /nfs/dbraw/zinc/30/66/11/514306611.db2.gz HENCPWLGUWNKNT-ZDUSSCGKSA-N 1 2 357.849 2.798 20 30 FFEDLO Cc1ncc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1C#N ZINC000427785579 514313847 /nfs/dbraw/zinc/31/38/47/514313847.db2.gz PYVONMBKDWZGSD-UHFFFAOYSA-N 1 2 373.825 2.902 20 30 FFEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ccc(C#N)cc1Br ZINC000432938493 514329092 /nfs/dbraw/zinc/32/90/92/514329092.db2.gz OJZJHWQZIVCRJZ-UHFFFAOYSA-N 1 2 352.276 2.868 20 30 FFEDLO CN(CC[N@H+]1CCOC(C)(C)C1)c1ccc(C#N)cc1Br ZINC000432938493 514329101 /nfs/dbraw/zinc/32/91/01/514329101.db2.gz OJZJHWQZIVCRJZ-UHFFFAOYSA-N 1 2 352.276 2.868 20 30 FFEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 ZINC000461319518 514567935 /nfs/dbraw/zinc/56/79/35/514567935.db2.gz PZDIDBIZGRPTHR-UHFFFAOYSA-N 1 2 369.388 2.885 20 30 FFEDLO Cc1ccc([C@@H](CNC(=O)NCC(C)(C)CCC#N)[NH+]2CCOCC2)cc1 ZINC000484338583 514636316 /nfs/dbraw/zinc/63/63/16/514636316.db2.gz JQAVLCUQMFHSSD-LJQANCHMSA-N 1 2 372.513 2.998 20 30 FFEDLO C=CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000453436039 514638932 /nfs/dbraw/zinc/63/89/32/514638932.db2.gz HBXJWCPBLFHKJC-GOSISDBHSA-N 1 2 371.460 2.777 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000497921875 514684769 /nfs/dbraw/zinc/68/47/69/514684769.db2.gz QOEKUALRHDYCRO-MRXNPFEDSA-N 1 2 366.889 2.844 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000502555474 514692341 /nfs/dbraw/zinc/69/23/41/514692341.db2.gz QPLHXQQRWAZYDQ-NVXWUHKLSA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000502555474 514692349 /nfs/dbraw/zinc/69/23/49/514692349.db2.gz QPLHXQQRWAZYDQ-NVXWUHKLSA-N 1 2 358.804 2.921 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)CC2)cc1 ZINC000502555419 514693036 /nfs/dbraw/zinc/69/30/36/514693036.db2.gz WNWFTHLDSAUXBJ-OAQYLSRUSA-N 1 2 373.456 2.767 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)CC2)cc1 ZINC000502555419 514693046 /nfs/dbraw/zinc/69/30/46/514693046.db2.gz WNWFTHLDSAUXBJ-OAQYLSRUSA-N 1 2 373.456 2.767 20 30 FFEDLO CC(C)(CNC(=O)Nc1ccc(CC#N)cc1Cl)[NH+]1CCOCC1 ZINC000455744803 514714343 /nfs/dbraw/zinc/71/43/43/514714343.db2.gz FSZHYKUOZPDOGR-UHFFFAOYSA-N 1 2 350.850 2.638 20 30 FFEDLO CC1CCN(C(=O)C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CC1 ZINC000471019208 514718047 /nfs/dbraw/zinc/71/80/47/514718047.db2.gz PFRYZDFWEZPTRY-IBGZPJMESA-N 1 2 374.916 2.781 20 30 FFEDLO C[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000461757057 514724040 /nfs/dbraw/zinc/72/40/40/514724040.db2.gz PWQFPXWIMBVRGS-UWJYYQICSA-N 1 2 363.461 2.679 20 30 FFEDLO C[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000461757057 514724049 /nfs/dbraw/zinc/72/40/49/514724049.db2.gz PWQFPXWIMBVRGS-UWJYYQICSA-N 1 2 363.461 2.679 20 30 FFEDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCO1 ZINC000455776119 514732482 /nfs/dbraw/zinc/73/24/82/514732482.db2.gz RWTRMIOEFVXVJC-KRWDZBQOSA-N 1 2 374.485 2.968 20 30 FFEDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCO1 ZINC000455776119 514732491 /nfs/dbraw/zinc/73/24/91/514732491.db2.gz RWTRMIOEFVXVJC-KRWDZBQOSA-N 1 2 374.485 2.968 20 30 FFEDLO CC[C@@H](C)n1nc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000479838465 514741607 /nfs/dbraw/zinc/74/16/07/514741607.db2.gz BWVVDRXEFUIFKZ-MRXNPFEDSA-N 1 2 365.481 2.992 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(C#N)cn2C)[C@H](C)C1 ZINC000508327692 514744066 /nfs/dbraw/zinc/74/40/66/514744066.db2.gz BEHDBTHCNSDYGA-MRXNPFEDSA-N 1 2 366.465 2.642 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(C#N)cn2C)[C@H](C)C1 ZINC000508327692 514744072 /nfs/dbraw/zinc/74/40/72/514744072.db2.gz BEHDBTHCNSDYGA-MRXNPFEDSA-N 1 2 366.465 2.642 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000502740117 514758327 /nfs/dbraw/zinc/75/83/27/514758327.db2.gz QPSWVSSOCNTGQY-INIZCTEOSA-N 1 2 366.440 2.842 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)[C@H]1C ZINC000471148901 514769756 /nfs/dbraw/zinc/76/97/56/514769756.db2.gz WWFOLERLGFMMMC-YXYSEUPNSA-N 1 2 368.525 2.810 20 30 FFEDLO C[C@@H](COc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000471161485 514778499 /nfs/dbraw/zinc/77/84/99/514778499.db2.gz KTOWXHRQXWLQSK-SFHVURJKSA-N 1 2 363.461 2.918 20 30 FFEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)Nc2cccc(CC#N)c2)C1 ZINC000455906332 514825568 /nfs/dbraw/zinc/82/55/68/514825568.db2.gz NFXYIMXMKCFWNW-HXUWFJFHSA-N 1 2 372.469 2.680 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000467115139 514901954 /nfs/dbraw/zinc/90/19/54/514901954.db2.gz FSMAHFQITDVWGB-OAHLLOKOSA-N 1 2 356.470 2.978 20 30 FFEDLO Cc1nc(N2CCN(C(=O)C(C)(C)Cc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000456012347 514903009 /nfs/dbraw/zinc/90/30/09/514903009.db2.gz TZEJJJHBCVFRPH-UHFFFAOYSA-N 1 2 363.465 2.574 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3nc4c(s3)C[C@H](C)CC4)CC2)c1C#N ZINC000471823450 515021282 /nfs/dbraw/zinc/02/12/82/515021282.db2.gz FAJKTGRUOJZKHZ-CYBMUJFWSA-N 1 2 370.526 2.504 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458831246 515127250 /nfs/dbraw/zinc/12/72/50/515127250.db2.gz GXSNHTHCWMDZIN-HOJAQTOUSA-N 1 2 370.497 2.926 20 30 FFEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H](CC)CN1C(C)=O ZINC000472347361 515238883 /nfs/dbraw/zinc/23/88/83/515238883.db2.gz GPFBHANYDLLFFY-RTBURBONSA-N 1 2 370.497 2.655 20 30 FFEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H](CC)CN1C(C)=O ZINC000472347361 515238892 /nfs/dbraw/zinc/23/88/92/515238892.db2.gz GPFBHANYDLLFFY-RTBURBONSA-N 1 2 370.497 2.655 20 30 FFEDLO N#Cc1cnc2ccc(Cl)cc2c1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000462841518 515265473 /nfs/dbraw/zinc/26/54/73/515265473.db2.gz PBQCGOGXLPPPJC-UHFFFAOYSA-N 1 2 352.829 2.805 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCCc1ccc(Cl)cc1 ZINC000499340728 515293638 /nfs/dbraw/zinc/29/36/38/515293638.db2.gz CLWOTWAUQKZKPS-UHFFFAOYSA-N 1 2 363.889 2.737 20 30 FFEDLO N#Cc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1F ZINC000454230201 515324569 /nfs/dbraw/zinc/32/45/69/515324569.db2.gz QVLDRSKNSFNMPI-UHFFFAOYSA-N 1 2 353.401 2.692 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000456665381 515328571 /nfs/dbraw/zinc/32/85/71/515328571.db2.gz LTBDAODFEOLHHB-QMTHXVAHSA-N 1 2 354.248 2.830 20 30 FFEDLO N#Cc1csc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)n1 ZINC000492150742 515508759 /nfs/dbraw/zinc/50/87/59/515508759.db2.gz JYUDYJKQRSWQNO-LBPRGKRZSA-N 1 2 356.220 2.740 20 30 FFEDLO COC(=O)COc1ccc(C[N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000459415738 515538417 /nfs/dbraw/zinc/53/84/17/515538417.db2.gz XAJKFVMVMFEDHK-UHFFFAOYSA-N 1 2 369.377 2.650 20 30 FFEDLO COC(=O)COc1ccc(C[N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000459415738 515538423 /nfs/dbraw/zinc/53/84/23/515538423.db2.gz XAJKFVMVMFEDHK-UHFFFAOYSA-N 1 2 369.377 2.650 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000459527147 515621158 /nfs/dbraw/zinc/62/11/58/515621158.db2.gz YGUPVVVEWMKOTQ-HKUYNNGSSA-N 1 2 355.369 2.766 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000459527147 515621167 /nfs/dbraw/zinc/62/11/67/515621167.db2.gz YGUPVVVEWMKOTQ-HKUYNNGSSA-N 1 2 355.369 2.766 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc(C#N)s3)c[nH+]2)C[C@H](C)O1 ZINC000486764178 515622074 /nfs/dbraw/zinc/62/20/74/515622074.db2.gz RZDRZTSRFXJTHU-STQMWFEESA-N 1 2 356.451 2.558 20 30 FFEDLO Cc1ccc2[nH+]c(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cn2c1 ZINC000505799173 515676092 /nfs/dbraw/zinc/67/60/92/515676092.db2.gz NGFSUHZBSWYULV-LJQANCHMSA-N 1 2 356.426 2.521 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000459590776 515676924 /nfs/dbraw/zinc/67/69/24/515676924.db2.gz SYDMYFZAGFFJST-LJQANCHMSA-N 1 2 361.442 2.760 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000459590776 515676937 /nfs/dbraw/zinc/67/69/37/515676937.db2.gz SYDMYFZAGFFJST-LJQANCHMSA-N 1 2 361.442 2.760 20 30 FFEDLO COCCOc1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1OC ZINC000459605197 515687911 /nfs/dbraw/zinc/68/79/11/515687911.db2.gz CUCFAZACRQWZBG-UHFFFAOYSA-N 1 2 368.433 2.855 20 30 FFEDLO C=CCOc1c(Br)cc(C[NH+]2CC(C)(CO)C2)cc1OC ZINC000459622686 515703411 /nfs/dbraw/zinc/70/34/11/515703411.db2.gz QHLOYLIYEMZSCK-UHFFFAOYSA-N 1 2 356.260 2.837 20 30 FFEDLO CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000510889737 515705457 /nfs/dbraw/zinc/70/54/57/515705457.db2.gz YRIHPPDHFGCLGM-CQSZACIVSA-N 1 2 361.417 2.906 20 30 FFEDLO N#Cc1ccc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000482541640 515714206 /nfs/dbraw/zinc/71/42/06/515714206.db2.gz ZTZHCBXOSGGSEN-UHFFFAOYSA-N 1 2 374.897 2.825 20 30 FFEDLO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000510922831 515716914 /nfs/dbraw/zinc/71/69/14/515716914.db2.gz XAAMJAVDNURRHR-AWEZNQCLSA-N 1 2 367.852 2.893 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](NC(=O)CC)C1 ZINC000500470488 515727776 /nfs/dbraw/zinc/72/77/76/515727776.db2.gz RPURKGBKBYFQJL-HNNXBMFYSA-N 1 2 361.511 2.894 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC)C1 ZINC000500470488 515727780 /nfs/dbraw/zinc/72/77/80/515727780.db2.gz RPURKGBKBYFQJL-HNNXBMFYSA-N 1 2 361.511 2.894 20 30 FFEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@H+](CC)C[C@@H](C)C#N ZINC000506060109 515765892 /nfs/dbraw/zinc/76/58/92/515765892.db2.gz DTPFUEYVFNQOLA-HOTGVXAUSA-N 1 2 358.486 2.516 20 30 FFEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@@H+](CC)C[C@@H](C)C#N ZINC000506060109 515765900 /nfs/dbraw/zinc/76/59/00/515765900.db2.gz DTPFUEYVFNQOLA-HOTGVXAUSA-N 1 2 358.486 2.516 20 30 FFEDLO C=C[C@@H]1CCCCN1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000494220740 515771712 /nfs/dbraw/zinc/77/17/12/515771712.db2.gz RXMUFJAKLNSTOY-XYJFISCASA-N 1 2 358.486 2.945 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000500598052 515785318 /nfs/dbraw/zinc/78/53/18/515785318.db2.gz DAZFDUDHYHOUIV-INIZCTEOSA-N 1 2 370.453 2.534 20 30 FFEDLO C[C@H](CC(F)(F)F)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000464393382 515808832 /nfs/dbraw/zinc/80/88/32/515808832.db2.gz OZZSFWREYIXAQM-CYBMUJFWSA-N 1 2 354.376 2.726 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000454991356 515880128 /nfs/dbraw/zinc/88/01/28/515880128.db2.gz ZYLVIFJULAAPID-QGZVFWFLSA-N 1 2 364.449 2.898 20 30 FFEDLO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccc(C#N)s1 ZINC000487583420 515912633 /nfs/dbraw/zinc/91/26/33/515912633.db2.gz JKZBIHMXTIIILP-OAHLLOKOSA-N 1 2 354.479 2.560 20 30 FFEDLO Cc1cc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)ncc1C#N ZINC000457542053 515956200 /nfs/dbraw/zinc/95/62/00/515956200.db2.gz QUSTWKNPHVDCQB-OAHLLOKOSA-N 1 2 350.422 2.907 20 30 FFEDLO C=CCC[C@@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000457546982 515961944 /nfs/dbraw/zinc/96/19/44/515961944.db2.gz ZMJYTQOFOWXQPY-JKSUJKDBSA-N 1 2 362.861 2.789 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c(F)c1 ZINC000506836848 516001157 /nfs/dbraw/zinc/00/11/57/516001157.db2.gz CYMGQMFXTFRRDI-UHFFFAOYSA-N 1 2 353.397 2.791 20 30 FFEDLO COc1cc(OC)cc([C@@H](Nc2ccc(C#N)c(C)n2)c2[nH+]ccn2C)c1 ZINC000487945994 516044679 /nfs/dbraw/zinc/04/46/79/516044679.db2.gz NMLRHGVOKGLYRS-LJQANCHMSA-N 1 2 363.421 2.636 20 30 FFEDLO C=C[C@@H]1CCCCN1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000495148171 516081935 /nfs/dbraw/zinc/08/19/35/516081935.db2.gz SCRAVCIUDQCNKX-LJQANCHMSA-N 1 2 373.497 2.648 20 30 FFEDLO Cc1nc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)ccc1C#N ZINC000488092102 516113726 /nfs/dbraw/zinc/11/37/26/516113726.db2.gz DNOQBXPHEAXEPP-MJGOQNOKSA-N 1 2 356.857 2.821 20 30 FFEDLO Cc1nc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC000488092102 516113734 /nfs/dbraw/zinc/11/37/34/516113734.db2.gz DNOQBXPHEAXEPP-MJGOQNOKSA-N 1 2 356.857 2.821 20 30 FFEDLO O=C(NCC#Cc1cccc(F)c1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000512138378 516170708 /nfs/dbraw/zinc/17/07/08/516170708.db2.gz LDKOWLPMWIGRGJ-UHFFFAOYSA-N 1 2 362.408 2.921 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)Cc1ccc(CO)o1 ZINC000512225814 516202096 /nfs/dbraw/zinc/20/20/96/516202096.db2.gz GRAWNOLVOIHRGQ-CQSZACIVSA-N 1 2 374.403 2.951 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)Cc1ccc(CO)o1 ZINC000512225814 516202099 /nfs/dbraw/zinc/20/20/99/516202099.db2.gz GRAWNOLVOIHRGQ-CQSZACIVSA-N 1 2 374.403 2.951 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000512455183 516284742 /nfs/dbraw/zinc/28/47/42/516284742.db2.gz BAGZYFWHSKVGIN-FQEVSTJZSA-N 1 2 365.433 2.827 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000512455183 516284746 /nfs/dbraw/zinc/28/47/46/516284746.db2.gz BAGZYFWHSKVGIN-FQEVSTJZSA-N 1 2 365.433 2.827 20 30 FFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000512522175 516300149 /nfs/dbraw/zinc/30/01/49/516300149.db2.gz PNMSLHXFNQEUNI-SFHVURJKSA-N 1 2 370.501 2.771 20 30 FFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000512522175 516300153 /nfs/dbraw/zinc/30/01/53/516300153.db2.gz PNMSLHXFNQEUNI-SFHVURJKSA-N 1 2 370.501 2.771 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000488748920 516300259 /nfs/dbraw/zinc/30/02/59/516300259.db2.gz ICLVMPHJWFWMIF-RDJZCZTQSA-N 1 2 359.495 2.927 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000488748920 516300262 /nfs/dbraw/zinc/30/02/62/516300262.db2.gz ICLVMPHJWFWMIF-RDJZCZTQSA-N 1 2 359.495 2.927 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@](O)(C(F)(F)F)CC3)o2)c1 ZINC000512561570 516304905 /nfs/dbraw/zinc/30/49/05/516304905.db2.gz LLTWMWUOOSXVKC-INIZCTEOSA-N 1 2 366.343 2.888 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@](O)(C(F)(F)F)CC3)o2)c1 ZINC000512561570 516304908 /nfs/dbraw/zinc/30/49/08/516304908.db2.gz LLTWMWUOOSXVKC-INIZCTEOSA-N 1 2 366.343 2.888 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000528348427 516368782 /nfs/dbraw/zinc/36/87/82/516368782.db2.gz GYMGOQBERPXKBT-QUCCMNQESA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000528348427 516368788 /nfs/dbraw/zinc/36/87/88/516368788.db2.gz GYMGOQBERPXKBT-QUCCMNQESA-N 1 2 356.397 2.511 20 30 FFEDLO COC(=O)c1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000540043954 516416042 /nfs/dbraw/zinc/41/60/42/516416042.db2.gz NLNUAUNSTKTZFE-CQSZACIVSA-N 1 2 363.417 2.730 20 30 FFEDLO COC(=O)c1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000540043954 516416055 /nfs/dbraw/zinc/41/60/55/516416055.db2.gz NLNUAUNSTKTZFE-CQSZACIVSA-N 1 2 363.417 2.730 20 30 FFEDLO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000528491785 516476046 /nfs/dbraw/zinc/47/60/46/516476046.db2.gz QWSNYBFOUIHHFC-SFHVURJKSA-N 1 2 373.478 2.682 20 30 FFEDLO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000528491785 516476052 /nfs/dbraw/zinc/47/60/52/516476052.db2.gz QWSNYBFOUIHHFC-SFHVURJKSA-N 1 2 373.478 2.682 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000540232293 516485508 /nfs/dbraw/zinc/48/55/08/516485508.db2.gz UDXFAAKUQKSWMV-UHFFFAOYSA-N 1 2 354.435 2.858 20 30 FFEDLO Cc1cccn2cc(CC(=O)N3CCC[C@]4(CCCCO4)[C@@H]3C#N)[nH+]c12 ZINC000547744339 516535039 /nfs/dbraw/zinc/53/50/39/516535039.db2.gz MLFIEBSKDZSVMZ-FXAWDEMLSA-N 1 2 352.438 2.639 20 30 FFEDLO C=CCn1c(CC2CCCC2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000554626500 516552362 /nfs/dbraw/zinc/55/23/62/516552362.db2.gz QSPMCLVVMAKCQK-UHFFFAOYSA-N 1 2 366.513 2.914 20 30 FFEDLO COC(=O)c1cccc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1C#N ZINC000540432501 516554159 /nfs/dbraw/zinc/55/41/59/516554159.db2.gz RFTOHRHUSNEQRI-UHFFFAOYSA-N 1 2 350.374 2.852 20 30 FFEDLO N#Cc1cc(F)cc(C2(C(=O)NCCNc3ccc4ccccc4[nH+]3)CC2)c1 ZINC000513280935 516555014 /nfs/dbraw/zinc/55/50/14/516555014.db2.gz HUXWKBQFTSIUFN-UHFFFAOYSA-N 1 2 374.419 2.927 20 30 FFEDLO C=CCN1CC[C@@H](N(C)C(=O)c2ccccc2Oc2cc[nH+]cc2)C1=O ZINC000554714758 516602328 /nfs/dbraw/zinc/60/23/28/516602328.db2.gz NEICQUWULPPLER-QGZVFWFLSA-N 1 2 351.406 2.733 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ncc(C#N)cc3C)CC2)s1 ZINC000551343026 516665972 /nfs/dbraw/zinc/66/59/72/516665972.db2.gz SRJIATCNPDUMHM-UHFFFAOYSA-N 1 2 354.479 2.844 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)cc1 ZINC000551447776 516714272 /nfs/dbraw/zinc/71/42/72/516714272.db2.gz LJNRYPFHBGHVGP-LJQANCHMSA-N 1 2 370.403 2.575 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)cc1 ZINC000551447776 516714281 /nfs/dbraw/zinc/71/42/81/516714281.db2.gz LJNRYPFHBGHVGP-LJQANCHMSA-N 1 2 370.403 2.575 20 30 FFEDLO N#C[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513676914 516715507 /nfs/dbraw/zinc/71/55/07/516715507.db2.gz MZJXKUOLQMNWFH-JLTOFOAXSA-N 1 2 351.381 2.550 20 30 FFEDLO N#C[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513676914 516715515 /nfs/dbraw/zinc/71/55/15/516715515.db2.gz MZJXKUOLQMNWFH-JLTOFOAXSA-N 1 2 351.381 2.550 20 30 FFEDLO C=CCSCCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000514022507 516835116 /nfs/dbraw/zinc/83/51/16/516835116.db2.gz NMCUOEOPVIBLTO-SFHVURJKSA-N 1 2 363.527 2.587 20 30 FFEDLO Cc1cc(Br)cn2cc(CNC(=O)NCCCC#N)[nH+]c12 ZINC000544683590 516871824 /nfs/dbraw/zinc/87/18/24/516871824.db2.gz ZPLZQLGXJACTHF-UHFFFAOYSA-N 1 2 350.220 2.508 20 30 FFEDLO N#Cc1cccc(CNC(=O)Cn2nc(C(F)(F)F)c3c[nH+]ccc32)c1 ZINC000536666121 516882584 /nfs/dbraw/zinc/88/25/84/516882584.db2.gz INGHAFYYWSEZBJ-UHFFFAOYSA-N 1 2 359.311 2.638 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CCc1cnccn1 ZINC000536698242 516897552 /nfs/dbraw/zinc/89/75/52/516897552.db2.gz IKAKZDSFDMSORN-HNNXBMFYSA-N 1 2 369.494 2.841 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CCc1cnccn1 ZINC000536698242 516897561 /nfs/dbraw/zinc/89/75/61/516897561.db2.gz IKAKZDSFDMSORN-HNNXBMFYSA-N 1 2 369.494 2.841 20 30 FFEDLO CCC(CC)[C@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)[NH+]1CCOCC1 ZINC000555535288 516958202 /nfs/dbraw/zinc/95/82/02/516958202.db2.gz VQTBHKUXPKUBMK-GOSISDBHSA-N 1 2 365.424 2.590 20 30 FFEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3Cc4ccccc4C4(CC4)C3)C2=O)cc1 ZINC000548462308 517001648 /nfs/dbraw/zinc/00/16/48/517001648.db2.gz JRHQSAPBNODJNX-LJQANCHMSA-N 1 2 357.413 2.738 20 30 FFEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3Cc4ccccc4C4(CC4)C3)C2=O)cc1 ZINC000548462308 517001660 /nfs/dbraw/zinc/00/16/60/517001660.db2.gz JRHQSAPBNODJNX-LJQANCHMSA-N 1 2 357.413 2.738 20 30 FFEDLO C[N@H+](Cc1cccc(Br)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000532493153 517004016 /nfs/dbraw/zinc/00/40/16/517004016.db2.gz HERVZMRVXUYVEB-MRXNPFEDSA-N 1 2 358.239 2.979 20 30 FFEDLO C[N@@H+](Cc1cccc(Br)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000532493153 517004026 /nfs/dbraw/zinc/00/40/26/517004026.db2.gz HERVZMRVXUYVEB-MRXNPFEDSA-N 1 2 358.239 2.979 20 30 FFEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCCCC#N)c1 ZINC000541356664 517008995 /nfs/dbraw/zinc/00/89/95/517008995.db2.gz ZIXREXRGEKOFKS-UHFFFAOYSA-N 1 2 353.426 2.709 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000514767128 517045784 /nfs/dbraw/zinc/04/57/84/517045784.db2.gz XNUAQXLAFJWJOJ-DLBZAZTESA-N 1 2 366.527 2.777 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000514767128 517045792 /nfs/dbraw/zinc/04/57/92/517045792.db2.gz XNUAQXLAFJWJOJ-DLBZAZTESA-N 1 2 366.527 2.777 20 30 FFEDLO C=CCOc1ccc(/C=C/c2nc([C@H]3C[N@H+](C)CCN3C)no2)cc1OC ZINC000545090936 517049128 /nfs/dbraw/zinc/04/91/28/517049128.db2.gz ZZNQJCFYTYCWOF-MNDMWVCDSA-N 1 2 370.453 2.732 20 30 FFEDLO C=CCOc1ccc(/C=C/c2nc([C@H]3C[N@@H+](C)CCN3C)no2)cc1OC ZINC000545090936 517049135 /nfs/dbraw/zinc/04/91/35/517049135.db2.gz ZZNQJCFYTYCWOF-MNDMWVCDSA-N 1 2 370.453 2.732 20 30 FFEDLO CCN(C(=O)[C@@H](C)[NH+]1CCN(c2cnccc2C#N)CC1)C1CCCCC1 ZINC000562361547 517054477 /nfs/dbraw/zinc/05/44/77/517054477.db2.gz IXYVXMBADGIUGS-QGZVFWFLSA-N 1 2 369.513 2.645 20 30 FFEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)NC3CCCCC3)CC2)c1 ZINC000532664810 517088014 /nfs/dbraw/zinc/08/80/14/517088014.db2.gz IDIODLPEUNPASI-UHFFFAOYSA-N 1 2 356.470 2.597 20 30 FFEDLO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000525640109 517097433 /nfs/dbraw/zinc/09/74/33/517097433.db2.gz PZNOGKBIODUAPU-NQIIRXRSSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000525640109 517097447 /nfs/dbraw/zinc/09/74/47/517097447.db2.gz PZNOGKBIODUAPU-NQIIRXRSSA-N 1 2 352.434 2.680 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCOC[C@H]3CC3CCC3)C2=O)cc1 ZINC000555761734 517110085 /nfs/dbraw/zinc/11/00/85/517110085.db2.gz IZDZSGLCNDGMIA-WOJBJXKFSA-N 1 2 353.466 2.945 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCOC[C@H]3CC3CCC3)C2=O)cc1 ZINC000555761734 517110094 /nfs/dbraw/zinc/11/00/94/517110094.db2.gz IZDZSGLCNDGMIA-WOJBJXKFSA-N 1 2 353.466 2.945 20 30 FFEDLO Cc1nc(N2CCN(c3nc4c(cc3C#N)CCCC4(C)C)CC2)cc[nH+]1 ZINC000559237644 517127040 /nfs/dbraw/zinc/12/70/40/517127040.db2.gz DFGJAUHZHVHJKC-UHFFFAOYSA-N 1 2 362.481 2.992 20 30 FFEDLO N#Cc1cccc(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)c1 ZINC000559261779 517139165 /nfs/dbraw/zinc/13/91/65/517139165.db2.gz ZMBWRPQJOMACOU-SFHVURJKSA-N 1 2 365.437 2.528 20 30 FFEDLO N#Cc1cccc(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)c1 ZINC000559261779 517139174 /nfs/dbraw/zinc/13/91/74/517139174.db2.gz ZMBWRPQJOMACOU-SFHVURJKSA-N 1 2 365.437 2.528 20 30 FFEDLO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1nc(C2CCCCC2)no1 ZINC000541681334 517170997 /nfs/dbraw/zinc/17/09/97/517170997.db2.gz CNRPKLFXHZDJCJ-CQSZACIVSA-N 1 2 367.453 2.956 20 30 FFEDLO C=CCCCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000545330873 517180465 /nfs/dbraw/zinc/18/04/65/517180465.db2.gz DOBAZOQWBFMPQE-MRXNPFEDSA-N 1 2 350.532 2.692 20 30 FFEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N(CCC#N)CCC(C)C)ccc2n1C ZINC000525888393 517217859 /nfs/dbraw/zinc/21/78/59/517217859.db2.gz QBJYBBAUIQLVEQ-UHFFFAOYSA-N 1 2 355.442 2.609 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000532982018 517235514 /nfs/dbraw/zinc/23/55/14/517235514.db2.gz NURLHWJTJOYPHC-XJKSGUPXSA-N 1 2 374.872 2.625 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000532982018 517235520 /nfs/dbraw/zinc/23/55/20/517235520.db2.gz NURLHWJTJOYPHC-XJKSGUPXSA-N 1 2 374.872 2.625 20 30 FFEDLO C[C@H]1C[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC000537597039 517249370 /nfs/dbraw/zinc/24/93/70/517249370.db2.gz NYVCHVWWMLGTLP-FUHWJXTLSA-N 1 2 353.466 2.666 20 30 FFEDLO C=CCn1c(C2CCCC2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000548850793 517256038 /nfs/dbraw/zinc/25/60/38/517256038.db2.gz GDGDQWOKFJBBED-UHFFFAOYSA-N 1 2 356.474 2.740 20 30 FFEDLO Cc1cccc2[nH+]c(CNC(=O)c3cnc(C(F)(F)F)c(C#N)c3)cn21 ZINC000559703210 517381762 /nfs/dbraw/zinc/38/17/62/517381762.db2.gz FZIFBBHMCWWKGG-UHFFFAOYSA-N 1 2 359.311 2.858 20 30 FFEDLO N#Cc1c(NC(=O)C[NH+]2CCC(CCO)CC2)sc2c1CCCCC2 ZINC000533417306 517454196 /nfs/dbraw/zinc/45/41/96/517454196.db2.gz HFGZBEJOEZOFGI-UHFFFAOYSA-N 1 2 361.511 2.922 20 30 FFEDLO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1cccc(O)c1 ZINC000533447345 517468657 /nfs/dbraw/zinc/46/86/57/517468657.db2.gz NFQGVXKPKRCQGO-UHFFFAOYSA-N 1 2 361.405 2.520 20 30 FFEDLO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1cccc(O)c1 ZINC000533447345 517468669 /nfs/dbraw/zinc/46/86/69/517468669.db2.gz NFQGVXKPKRCQGO-UHFFFAOYSA-N 1 2 361.405 2.520 20 30 FFEDLO C=C(C)[C@H](CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1)OCC ZINC000533678187 517567164 /nfs/dbraw/zinc/56/71/64/517567164.db2.gz HJTLYQMEKJLPAO-PMACEKPBSA-N 1 2 360.498 2.856 20 30 FFEDLO N#Cc1cnc(N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC000553243006 517596294 /nfs/dbraw/zinc/59/62/94/517596294.db2.gz OZPUGODRKLTPNV-UHFFFAOYSA-N 1 2 373.214 2.607 20 30 FFEDLO CCN(C(=O)[C@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1)C1CCCCC1 ZINC000546210671 517599423 /nfs/dbraw/zinc/59/94/23/517599423.db2.gz XLRFQHPNVHAXNH-KRWDZBQOSA-N 1 2 369.513 2.645 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000563153913 517697238 /nfs/dbraw/zinc/69/72/38/517697238.db2.gz GMGHRPHSKWYOCT-WMZOPIPTSA-N 1 2 367.453 2.545 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000563153913 517697250 /nfs/dbraw/zinc/69/72/50/517697250.db2.gz GMGHRPHSKWYOCT-WMZOPIPTSA-N 1 2 367.453 2.545 20 30 FFEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000549905593 517772242 /nfs/dbraw/zinc/77/22/42/517772242.db2.gz XTGLLQBQXMDMRG-DJJJIMSYSA-N 1 2 363.396 2.760 20 30 FFEDLO N#CCN1CCC(CNC(=O)CCn2c3ccccc3[nH+]c2C2CC2)CC1 ZINC000538788345 517780737 /nfs/dbraw/zinc/78/07/37/517780737.db2.gz YKMWTDGMOODADS-UHFFFAOYSA-N 1 2 365.481 2.656 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000550232530 517941078 /nfs/dbraw/zinc/94/10/78/517941078.db2.gz MIUHELWPFXUIKX-RHSMWYFYSA-N 1 2 372.444 2.626 20 30 FFEDLO CC[C@]1(C)COCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000534851984 518057531 /nfs/dbraw/zinc/05/75/31/518057531.db2.gz NXSTWWZLBVTSHQ-GOSISDBHSA-N 1 2 368.399 2.674 20 30 FFEDLO CC[C@]1(C)COCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000534851984 518057541 /nfs/dbraw/zinc/05/75/41/518057541.db2.gz NXSTWWZLBVTSHQ-GOSISDBHSA-N 1 2 368.399 2.674 20 30 FFEDLO C=CCN1CC[C@H](Sc2[nH+]cnc3c2cnn3-c2ccccc2)C1=O ZINC000539510538 518082896 /nfs/dbraw/zinc/08/28/96/518082896.db2.gz FYTCLMVAQXCANG-HNNXBMFYSA-N 1 2 351.435 2.695 20 30 FFEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)CCC1 ZINC000557578493 518087511 /nfs/dbraw/zinc/08/75/11/518087511.db2.gz ZNPSRHUONLQZQD-UHFFFAOYSA-N 1 2 356.466 2.848 20 30 FFEDLO N#Cc1csc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)n1 ZINC000584201841 518224396 /nfs/dbraw/zinc/22/43/96/518224396.db2.gz NLPWWOHPELLHAB-LBPRGKRZSA-N 1 2 366.368 2.929 20 30 FFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000578546589 518261425 /nfs/dbraw/zinc/26/14/25/518261425.db2.gz IZEVOMFBAJYVGK-FZMZJTMJSA-N 1 2 368.359 2.575 20 30 FFEDLO COC(=O)c1ccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c(C#N)n1 ZINC000578577022 518271500 /nfs/dbraw/zinc/27/15/00/518271500.db2.gz CTFTVHLGLPKOOG-UHFFFAOYSA-N 1 2 370.840 2.715 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](Cc2cccc(F)c2)C2CC2)nc1 ZINC000564152180 518325893 /nfs/dbraw/zinc/32/58/93/518325893.db2.gz LBXUKWYMBLYXII-UHFFFAOYSA-N 1 2 359.426 2.531 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](Cc2cccc(F)c2)C2CC2)nc1 ZINC000564152180 518325898 /nfs/dbraw/zinc/32/58/98/518325898.db2.gz LBXUKWYMBLYXII-UHFFFAOYSA-N 1 2 359.426 2.531 20 30 FFEDLO N#C[C@@H]1CN(C(=O)[C@@H](c2c(F)cccc2Cl)[NH+]2CCCCC2)CCO1 ZINC000575905836 518337411 /nfs/dbraw/zinc/33/74/11/518337411.db2.gz LILGTOSWAWTXMR-CXAGYDPISA-N 1 2 365.836 2.757 20 30 FFEDLO CCOc1ccc(OCC[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1 ZINC000584498217 518367359 /nfs/dbraw/zinc/36/73/59/518367359.db2.gz DTJCEJPGODDBQH-UHFFFAOYSA-N 1 2 372.494 2.923 20 30 FFEDLO Cn1ncc2c1CCC[N@H+](CC(=O)c1cn(CCC#N)c3ccccc13)C2 ZINC000564424916 518446041 /nfs/dbraw/zinc/44/60/41/518446041.db2.gz SPZSONDQLIEUHQ-UHFFFAOYSA-N 1 2 361.449 2.920 20 30 FFEDLO Cn1ncc2c1CCC[N@@H+](CC(=O)c1cn(CCC#N)c3ccccc13)C2 ZINC000564424916 518446047 /nfs/dbraw/zinc/44/60/47/518446047.db2.gz SPZSONDQLIEUHQ-UHFFFAOYSA-N 1 2 361.449 2.920 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000572994815 518457935 /nfs/dbraw/zinc/45/79/35/518457935.db2.gz ZZMRMXMKPMQTSC-ROUUACIJSA-N 1 2 358.486 2.708 20 30 FFEDLO Cc1ccccc1-n1cc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)nn1 ZINC000573018360 518468082 /nfs/dbraw/zinc/46/80/82/518468082.db2.gz LOSTUIIKIAFVCQ-UHFFFAOYSA-N 1 2 372.476 2.765 20 30 FFEDLO C[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1nc(C2CCCCC2)no1 ZINC000584781424 518475044 /nfs/dbraw/zinc/47/50/44/518475044.db2.gz NRWUAQMWPGYWGX-LBPRGKRZSA-N 1 2 351.414 2.882 20 30 FFEDLO N#Cc1csc(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)n1 ZINC000564530317 518488999 /nfs/dbraw/zinc/48/89/99/518488999.db2.gz ZVZDGJQTXFFSAF-UHFFFAOYSA-N 1 2 352.463 2.816 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000564534576 518489823 /nfs/dbraw/zinc/48/98/23/518489823.db2.gz ACUCUZHZFBQETP-OWSLCNJRSA-N 1 2 365.424 2.743 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000564534576 518489830 /nfs/dbraw/zinc/48/98/30/518489830.db2.gz ACUCUZHZFBQETP-OWSLCNJRSA-N 1 2 365.424 2.743 20 30 FFEDLO COc1cc(CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)ccc1C#N ZINC000564575986 518510506 /nfs/dbraw/zinc/51/05/06/518510506.db2.gz UGTHPKPEAYGEIF-UHFFFAOYSA-N 1 2 361.405 2.752 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@]3(CCSC3)C2)c1C ZINC000581941709 518513294 /nfs/dbraw/zinc/51/32/94/518513294.db2.gz ZSTHZQGYAFHYTH-FQEVSTJZSA-N 1 2 373.522 2.758 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@]3(CCSC3)C2)c1C ZINC000581941709 518513301 /nfs/dbraw/zinc/51/33/01/518513301.db2.gz ZSTHZQGYAFHYTH-FQEVSTJZSA-N 1 2 373.522 2.758 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000579094866 518519543 /nfs/dbraw/zinc/51/95/43/518519543.db2.gz CYBJXQAJMARWKL-UHFFFAOYSA-N 1 2 358.511 2.843 20 30 FFEDLO C=CCSc1ccccc1C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000570689785 518733586 /nfs/dbraw/zinc/73/35/86/518733586.db2.gz ZNBMIRIOHVYKTO-OAHLLOKOSA-N 1 2 371.506 2.749 20 30 FFEDLO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565047685 518760686 /nfs/dbraw/zinc/76/06/86/518760686.db2.gz QOMGWBNIYCOPSB-UHFFFAOYSA-N 1 2 369.377 2.844 20 30 FFEDLO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565047685 518760692 /nfs/dbraw/zinc/76/06/92/518760692.db2.gz QOMGWBNIYCOPSB-UHFFFAOYSA-N 1 2 369.377 2.844 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3ncc(F)cn3)CC2)c(C(F)(F)F)c1 ZINC000579726983 518824126 /nfs/dbraw/zinc/82/41/26/518824126.db2.gz FMWYJLVDZXCXSF-UHFFFAOYSA-N 1 2 365.334 2.828 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)nc1N ZINC000565228573 518853618 /nfs/dbraw/zinc/85/36/18/518853618.db2.gz HAMGYUFZHIPOCN-UHFFFAOYSA-N 1 2 372.270 2.620 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000577111736 518919629 /nfs/dbraw/zinc/91/96/29/518919629.db2.gz NDDYEXMOMFLVDU-WBAXXEDZSA-N 1 2 356.388 2.683 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000577111736 518919633 /nfs/dbraw/zinc/91/96/33/518919633.db2.gz NDDYEXMOMFLVDU-WBAXXEDZSA-N 1 2 356.388 2.683 20 30 FFEDLO CC(C)c1ccc(-c2noc(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)n2)cc1 ZINC000565457082 518962388 /nfs/dbraw/zinc/96/23/88/518962388.db2.gz JNAHUQRGDWDRRQ-FQEVSTJZSA-N 1 2 369.469 2.753 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000577262451 518993670 /nfs/dbraw/zinc/99/36/70/518993670.db2.gz OWKRQLBGTFLDME-AEFFLSMTSA-N 1 2 367.449 2.617 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000589462383 519010157 /nfs/dbraw/zinc/01/01/57/519010157.db2.gz VFMYQNBTCNRZET-NVXWUHKLSA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)c2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000589462383 519010162 /nfs/dbraw/zinc/01/01/62/519010162.db2.gz VFMYQNBTCNRZET-NVXWUHKLSA-N 1 2 358.804 2.921 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C#N)n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000589485396 519014855 /nfs/dbraw/zinc/01/48/55/519014855.db2.gz CCQQOTGTPJVKQE-MAUKXSAKSA-N 1 2 374.366 2.936 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)c2cccc(C#N)n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000589485396 519014862 /nfs/dbraw/zinc/01/48/62/519014862.db2.gz CCQQOTGTPJVKQE-MAUKXSAKSA-N 1 2 374.366 2.936 20 30 FFEDLO Cc1nsc(N2CC[NH+](CC3=Cc4ccccc4OC3)CC2)c1C#N ZINC000589520681 519022870 /nfs/dbraw/zinc/02/28/70/519022870.db2.gz QEDVDEXQRGWJNT-UHFFFAOYSA-N 1 2 352.463 2.921 20 30 FFEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000577339380 519028221 /nfs/dbraw/zinc/02/82/21/519028221.db2.gz ZYAQXKMLIFICIJ-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO N#CCCN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1 ZINC000577449049 519082760 /nfs/dbraw/zinc/08/27/60/519082760.db2.gz WZMAPVTUKMGLHX-HXUWFJFHSA-N 1 2 367.424 2.973 20 30 FFEDLO N#CCCN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1 ZINC000577449049 519082768 /nfs/dbraw/zinc/08/27/68/519082768.db2.gz WZMAPVTUKMGLHX-HXUWFJFHSA-N 1 2 367.424 2.973 20 30 FFEDLO C[C@@H](Nc1cc(Br)c(C#N)cc1F)[C@@H](C)[NH+]1CCOCC1 ZINC000577509312 519118154 /nfs/dbraw/zinc/11/81/54/519118154.db2.gz CZKYGVZTTRESRO-GHMZBOCLSA-N 1 2 356.239 2.981 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(F)c(Cl)c3)C2)nc1 ZINC000590003959 519125028 /nfs/dbraw/zinc/12/50/28/519125028.db2.gz LBKVQHOKLKTWGD-CQSZACIVSA-N 1 2 374.803 2.838 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3ccc(F)c(Cl)c3)C2)nc1 ZINC000590003959 519125037 /nfs/dbraw/zinc/12/50/37/519125037.db2.gz LBKVQHOKLKTWGD-CQSZACIVSA-N 1 2 374.803 2.838 20 30 FFEDLO CCOC(=O)c1sc2[nH]c([C@H](C)[NH2+][C@@H](CC)CC#N)nc(=O)c2c1C ZINC000577646581 519185012 /nfs/dbraw/zinc/18/50/12/519185012.db2.gz PEWQNPFWTCCHEN-QWRGUYRKSA-N 1 2 362.455 2.813 20 30 FFEDLO CCOC(=O)c1sc2[nH]c([C@@H](C)[NH2+][C@H](CC)CC#N)nc(=O)c2c1C ZINC000577646579 519185080 /nfs/dbraw/zinc/18/50/80/519185080.db2.gz PEWQNPFWTCCHEN-GHMZBOCLSA-N 1 2 362.455 2.813 20 30 FFEDLO COc1cc2c(c(C[NH+]3CCN(c4cnccc4C#N)CC3)c1)O[C@@H](C)C2 ZINC000583358487 519204060 /nfs/dbraw/zinc/20/40/60/519204060.db2.gz MLYFCCSIMAOOJJ-HNNXBMFYSA-N 1 2 364.449 2.607 20 30 FFEDLO CCC(=O)N1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000583377512 519217107 /nfs/dbraw/zinc/21/71/07/519217107.db2.gz GKWQPWQCOHTLLN-CYBMUJFWSA-N 1 2 374.510 2.585 20 30 FFEDLO CCC(=O)N1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000583377512 519217116 /nfs/dbraw/zinc/21/71/16/519217116.db2.gz GKWQPWQCOHTLLN-CYBMUJFWSA-N 1 2 374.510 2.585 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3ccccn3)C2)cc1 ZINC000590601881 519283754 /nfs/dbraw/zinc/28/37/54/519283754.db2.gz SHOXRLOVSPUOCK-QGZVFWFLSA-N 1 2 355.463 2.607 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3ccccn3)C2)cc1 ZINC000590601881 519283761 /nfs/dbraw/zinc/28/37/61/519283761.db2.gz SHOXRLOVSPUOCK-QGZVFWFLSA-N 1 2 355.463 2.607 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC000583503370 519284431 /nfs/dbraw/zinc/28/44/31/519284431.db2.gz ZFDYRFHTBBXFKD-MJGOQNOKSA-N 1 2 355.369 2.766 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC000583503370 519284436 /nfs/dbraw/zinc/28/44/36/519284436.db2.gz ZFDYRFHTBBXFKD-MJGOQNOKSA-N 1 2 355.369 2.766 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000577846776 519287604 /nfs/dbraw/zinc/28/76/04/519287604.db2.gz ZTQHSKDDIDYKIZ-DLBZAZTESA-N 1 2 371.481 2.974 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000577846776 519287613 /nfs/dbraw/zinc/28/76/13/519287613.db2.gz ZTQHSKDDIDYKIZ-DLBZAZTESA-N 1 2 371.481 2.974 20 30 FFEDLO Cc1csc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1C#N ZINC000577862137 519297001 /nfs/dbraw/zinc/29/70/01/519297001.db2.gz XRKTUWJRJSGWJI-MRXNPFEDSA-N 1 2 370.478 2.951 20 30 FFEDLO Cc1csc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1C#N ZINC000577862137 519297009 /nfs/dbraw/zinc/29/70/09/519297009.db2.gz XRKTUWJRJSGWJI-MRXNPFEDSA-N 1 2 370.478 2.951 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000566139661 519327764 /nfs/dbraw/zinc/32/77/64/519327764.db2.gz FAADKRRXZPJKIE-ROUUACIJSA-N 1 2 358.486 2.852 20 30 FFEDLO C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)[C@@H](c2ccccc2)C1 ZINC000566162393 519342580 /nfs/dbraw/zinc/34/25/80/519342580.db2.gz SGTWENBMWGKOHP-HXUWFJFHSA-N 1 2 369.490 2.571 20 30 FFEDLO C[N@H+]1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)[C@@H](c2ccccc2)C1 ZINC000566162393 519342586 /nfs/dbraw/zinc/34/25/86/519342586.db2.gz SGTWENBMWGKOHP-HXUWFJFHSA-N 1 2 369.490 2.571 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)c(OC(F)F)c1 ZINC000571946042 519358048 /nfs/dbraw/zinc/35/80/48/519358048.db2.gz VRSHRJJUJYUVJJ-ZACQAIPSSA-N 1 2 366.408 2.912 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)c(OC(F)F)c1 ZINC000571946042 519358053 /nfs/dbraw/zinc/35/80/53/519358053.db2.gz VRSHRJJUJYUVJJ-ZACQAIPSSA-N 1 2 366.408 2.912 20 30 FFEDLO COC(=O)c1ccc(N2CCC(CCCn3cc[nH+]c3)CC2)c(C#N)n1 ZINC000583704130 519391617 /nfs/dbraw/zinc/39/16/17/519391617.db2.gz VWJWLDNTIIKGIF-UHFFFAOYSA-N 1 2 353.426 2.633 20 30 FFEDLO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(CC#N)cc2Cl)c2[nH+]ccn21 ZINC000574958062 519421198 /nfs/dbraw/zinc/42/11/98/519421198.db2.gz UNGYTHSIQIHZSH-MFKMUULPSA-N 1 2 350.831 2.587 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CSCc1cc(-c2cccs2)on1 ZINC000566309015 519426638 /nfs/dbraw/zinc/42/66/38/519426638.db2.gz MERPOUQZRRHMJX-MRXNPFEDSA-N 1 2 364.496 2.596 20 30 FFEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1S(=O)(=O)CC(C)(C)CC#N)CCCC2 ZINC000583853380 519465686 /nfs/dbraw/zinc/46/56/86/519465686.db2.gz JTOJQAJDGREIDW-INIZCTEOSA-N 1 2 364.515 2.705 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000569296277 519473049 /nfs/dbraw/zinc/47/30/49/519473049.db2.gz SMXRHDDSZHEQSF-CRAIPNDOSA-N 1 2 360.502 2.878 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000569296277 519473051 /nfs/dbraw/zinc/47/30/51/519473051.db2.gz SMXRHDDSZHEQSF-CRAIPNDOSA-N 1 2 360.502 2.878 20 30 FFEDLO COc1cc(-c2nc(C[N@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)cs2)ccc1O ZINC000602854428 519927464 /nfs/dbraw/zinc/92/74/64/519927464.db2.gz PCXJINCAEPUKAX-OKILXGFUSA-N 1 2 372.494 2.942 20 30 FFEDLO COc1cc(-c2nc(C[N@@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)cs2)ccc1O ZINC000602854428 519927470 /nfs/dbraw/zinc/92/74/70/519927470.db2.gz PCXJINCAEPUKAX-OKILXGFUSA-N 1 2 372.494 2.942 20 30 FFEDLO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858985 519931135 /nfs/dbraw/zinc/93/11/35/519931135.db2.gz DFJBFAHQXJESSE-OKILXGFUSA-N 1 2 364.877 2.514 20 30 FFEDLO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858985 519931144 /nfs/dbraw/zinc/93/11/44/519931144.db2.gz DFJBFAHQXJESSE-OKILXGFUSA-N 1 2 364.877 2.514 20 30 FFEDLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602863157 519936291 /nfs/dbraw/zinc/93/62/91/519936291.db2.gz OWNHQLMLYVCBOB-YESZJQIVSA-N 1 2 368.481 2.870 20 30 FFEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602867396 519937605 /nfs/dbraw/zinc/93/76/05/519937605.db2.gz YGLKPJFOWRQNAT-HZSPNIEDSA-N 1 2 357.483 2.541 20 30 FFEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602867396 519937612 /nfs/dbraw/zinc/93/76/12/519937612.db2.gz YGLKPJFOWRQNAT-HZSPNIEDSA-N 1 2 357.483 2.541 20 30 FFEDLO CN(C(=O)C[NH+]1CCC(Nc2ccccc2C#N)CC1)c1nccs1 ZINC000602896487 519957413 /nfs/dbraw/zinc/95/74/13/519957413.db2.gz RPHYGMCHHOELND-UHFFFAOYSA-N 1 2 355.467 2.554 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(c3ccc(F)cn3)CC2)c1 ZINC000602904823 519962895 /nfs/dbraw/zinc/96/28/95/519962895.db2.gz OUAJAEHALVLNJZ-UHFFFAOYSA-N 1 2 373.453 2.746 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907511 519964637 /nfs/dbraw/zinc/96/46/37/519964637.db2.gz NEVGMDJXKKLGMU-HXUWFJFHSA-N 1 2 360.417 2.919 20 30 FFEDLO CCOc1cc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)nc2nc(C(F)(F)F)nn21 ZINC000602980893 520005486 /nfs/dbraw/zinc/00/54/86/520005486.db2.gz XATDRPLHRGYUCJ-JQWIXIFHSA-N 1 2 368.363 2.666 20 30 FFEDLO CCOc1cc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)nc2nc(C(F)(F)F)nn21 ZINC000602980893 520005495 /nfs/dbraw/zinc/00/54/95/520005495.db2.gz XATDRPLHRGYUCJ-JQWIXIFHSA-N 1 2 368.363 2.666 20 30 FFEDLO CC(C)(C#N)c1ccc(CNc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000594502380 520006299 /nfs/dbraw/zinc/00/62/99/520006299.db2.gz ZZHPJFBLTXYHJS-UHFFFAOYSA-N 1 2 353.470 2.629 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000602988219 520009451 /nfs/dbraw/zinc/00/94/51/520009451.db2.gz CHBZRSNBELJHEC-NWDGAFQWSA-N 1 2 363.177 2.923 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000602988219 520009457 /nfs/dbraw/zinc/00/94/57/520009457.db2.gz CHBZRSNBELJHEC-NWDGAFQWSA-N 1 2 363.177 2.923 20 30 FFEDLO N#Cc1ccc(OCC[N@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)cc1 ZINC000591852653 520061814 /nfs/dbraw/zinc/06/18/14/520061814.db2.gz JAXMIWQAIONJEL-CALCHBBNSA-N 1 2 358.344 2.739 20 30 FFEDLO N#Cc1ccc(OCC[N@@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)cc1 ZINC000591852653 520061819 /nfs/dbraw/zinc/06/18/19/520061819.db2.gz JAXMIWQAIONJEL-CALCHBBNSA-N 1 2 358.344 2.739 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1C#N ZINC000600229540 520141363 /nfs/dbraw/zinc/14/13/63/520141363.db2.gz VINSDVTZFZNKJV-AWEZNQCLSA-N 1 2 360.483 2.518 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)cc1C#N ZINC000600229540 520141367 /nfs/dbraw/zinc/14/13/67/520141367.db2.gz VINSDVTZFZNKJV-AWEZNQCLSA-N 1 2 360.483 2.518 20 30 FFEDLO C[N@@H+](Cc1ccncc1C#N)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000592068882 520164937 /nfs/dbraw/zinc/16/49/37/520164937.db2.gz KVXHQHMYMQLSHR-OAHLLOKOSA-N 1 2 365.355 2.844 20 30 FFEDLO C[N@H+](Cc1ccncc1C#N)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000592068882 520164941 /nfs/dbraw/zinc/16/49/41/520164941.db2.gz KVXHQHMYMQLSHR-OAHLLOKOSA-N 1 2 365.355 2.844 20 30 FFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC000609153938 520211607 /nfs/dbraw/zinc/21/16/07/520211607.db2.gz IJVVZHJKRIAKIW-MRXNPFEDSA-N 1 2 367.424 2.982 20 30 FFEDLO CSc1cc(F)ccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000592278262 520310434 /nfs/dbraw/zinc/31/04/34/520310434.db2.gz PHZAITIHXYCAGF-UHFFFAOYSA-N 1 2 366.462 2.627 20 30 FFEDLO CC(C)(NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000597949220 520345647 /nfs/dbraw/zinc/34/56/47/520345647.db2.gz GGQOUFIPSQCXJZ-FQEVSTJZSA-N 1 2 363.461 2.811 20 30 FFEDLO CC(C)(NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000597949220 520345650 /nfs/dbraw/zinc/34/56/50/520345650.db2.gz GGQOUFIPSQCXJZ-FQEVSTJZSA-N 1 2 363.461 2.811 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N(C)[C@@H]2CCCc3ccccc32)CC1 ZINC000609539014 520350240 /nfs/dbraw/zinc/35/02/40/520350240.db2.gz PXQXJNZDLZWEHO-NHCUHLMSSA-N 1 2 368.525 2.688 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000603905516 520400543 /nfs/dbraw/zinc/40/05/43/520400543.db2.gz HFUFGDKVSHDASO-HOTGVXAUSA-N 1 2 352.463 2.626 20 30 FFEDLO CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000595333045 520413599 /nfs/dbraw/zinc/41/35/99/520413599.db2.gz IUBVMXJBXZOEOX-WOJBJXKFSA-N 1 2 369.490 2.866 20 30 FFEDLO CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000595333045 520413602 /nfs/dbraw/zinc/41/36/02/520413602.db2.gz IUBVMXJBXZOEOX-WOJBJXKFSA-N 1 2 369.490 2.866 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000604047542 520436089 /nfs/dbraw/zinc/43/60/89/520436089.db2.gz IUNNHSASNJZLCL-ZIAGYGMSSA-N 1 2 361.408 2.761 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000604047542 520436095 /nfs/dbraw/zinc/43/60/95/520436095.db2.gz IUNNHSASNJZLCL-ZIAGYGMSSA-N 1 2 361.408 2.761 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[NH2+]CC(F)(F)c1ccc(F)cc1 ZINC000600745890 520442609 /nfs/dbraw/zinc/44/26/09/520442609.db2.gz QQGPFFZBFUTYQX-MRXNPFEDSA-N 1 2 350.340 2.819 20 30 FFEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000595410218 520452728 /nfs/dbraw/zinc/45/27/28/520452728.db2.gz WDZRLTLIYPVPBN-INIZCTEOSA-N 1 2 360.259 2.555 20 30 FFEDLO CCC(CC)NC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000600829009 520491778 /nfs/dbraw/zinc/49/17/78/520491778.db2.gz FCIAJEIAHZNXGG-KXBFYZLASA-N 1 2 360.477 2.701 20 30 FFEDLO CCCCCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000600830154 520492639 /nfs/dbraw/zinc/49/26/39/520492639.db2.gz QRJBXNYJTZQTRB-VQIMIIECSA-N 1 2 360.477 2.703 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCn3c[nH+]cc3C2)c1C#N ZINC000595489811 520503483 /nfs/dbraw/zinc/50/34/83/520503483.db2.gz IZQZXZUNJOBOLC-UHFFFAOYSA-N 1 2 366.469 2.743 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCn2c[nH+]cc2C1 ZINC000595492141 520506521 /nfs/dbraw/zinc/50/65/21/520506521.db2.gz VTBGHQRCXJRLCX-CQSZACIVSA-N 1 2 355.467 2.732 20 30 FFEDLO COC(=O)c1cccc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)c1C#N ZINC000595498191 520508514 /nfs/dbraw/zinc/50/85/14/520508514.db2.gz CRMKAJBXHMIOSC-SFHVURJKSA-N 1 2 353.422 2.589 20 30 FFEDLO N#CC[C@H](CC(=O)N(CC[NH+]1CCOCC1)CC1CC1)c1ccccc1 ZINC000598343764 520566074 /nfs/dbraw/zinc/56/60/74/520566074.db2.gz XEYWFBBOBJYTSZ-HXUWFJFHSA-N 1 2 355.482 2.645 20 30 FFEDLO CCN(C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1)[C@H](C)C#N ZINC000598358708 520573010 /nfs/dbraw/zinc/57/30/10/520573010.db2.gz QLYFODCBWMXFQW-CQSZACIVSA-N 1 2 352.438 2.917 20 30 FFEDLO COc1cccc([C@@H](NC(=O)Cc2ccc(C#N)cc2)c2[nH+]ccn2C)c1 ZINC000604547879 520596189 /nfs/dbraw/zinc/59/61/89/520596189.db2.gz CANYDHULAFAKTL-HXUWFJFHSA-N 1 2 360.417 2.749 20 30 FFEDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)n(-c2ccc(F)cc2)n1 ZINC000595616471 520597174 /nfs/dbraw/zinc/59/71/74/520597174.db2.gz QVBFNEWHSZNCLL-HNNXBMFYSA-N 1 2 355.417 2.884 20 30 FFEDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)n(-c2ccc(F)cc2)n1 ZINC000595616471 520597182 /nfs/dbraw/zinc/59/71/82/520597182.db2.gz QVBFNEWHSZNCLL-HNNXBMFYSA-N 1 2 355.417 2.884 20 30 FFEDLO CCOC(=O)c1sc2nc(C[N@@H+]3CCC[C@@H](CC#N)C3)nc(N)c2c1C ZINC000595619716 520599412 /nfs/dbraw/zinc/59/94/12/520599412.db2.gz FYIABPDZNPAMIE-LBPRGKRZSA-N 1 2 373.482 2.884 20 30 FFEDLO CCOC(=O)c1sc2nc(C[N@H+]3CCC[C@@H](CC#N)C3)nc(N)c2c1C ZINC000595619716 520599416 /nfs/dbraw/zinc/59/94/16/520599416.db2.gz FYIABPDZNPAMIE-LBPRGKRZSA-N 1 2 373.482 2.884 20 30 FFEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)[C@@H]2CCCC[C@H]12 ZINC000595737092 520686575 /nfs/dbraw/zinc/68/65/75/520686575.db2.gz OTTYKYSCVOHEDF-RBSFLKMASA-N 1 2 361.467 2.612 20 30 FFEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)[C@@H]2CCCC[C@H]12 ZINC000595737092 520686582 /nfs/dbraw/zinc/68/65/82/520686582.db2.gz OTTYKYSCVOHEDF-RBSFLKMASA-N 1 2 361.467 2.612 20 30 FFEDLO N#C[C@H]1CCC[C@H]1NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000610496660 520715724 /nfs/dbraw/zinc/71/57/24/520715724.db2.gz IILPKRNOIICABX-IAGOWNOFSA-N 1 2 364.449 2.965 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(Cn3cnnc3)CC2)c1C#N ZINC000593077731 520727631 /nfs/dbraw/zinc/72/76/31/520727631.db2.gz PXOUTRZLYNACOA-UHFFFAOYSA-N 1 2 361.453 2.556 20 30 FFEDLO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000610566021 520743355 /nfs/dbraw/zinc/74/33/55/520743355.db2.gz ASWAQBHMDBABPV-OXQOHEQNSA-N 1 2 372.488 2.845 20 30 FFEDLO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000598613570 520744600 /nfs/dbraw/zinc/74/46/00/520744600.db2.gz JVYADLNTTQAYKA-MRXNPFEDSA-N 1 2 371.506 2.960 20 30 FFEDLO Cc1nccc([C@H]2CCC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000610581021 520749335 /nfs/dbraw/zinc/74/93/35/520749335.db2.gz XZIQBWOHBIVONU-DOTOQJQBSA-N 1 2 367.478 2.703 20 30 FFEDLO Cc1nccc([C@H]2CCC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000610581021 520749339 /nfs/dbraw/zinc/74/93/39/520749339.db2.gz XZIQBWOHBIVONU-DOTOQJQBSA-N 1 2 367.478 2.703 20 30 FFEDLO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CC[C@](C)(C#N)C2)c(OC)c1 ZINC000595837466 520758063 /nfs/dbraw/zinc/75/80/63/520758063.db2.gz HKCKLIWUTLAKIV-YLJYHZDGSA-N 1 2 357.454 2.603 20 30 FFEDLO COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CC[C@](C)(C#N)C2)c(OC)c1 ZINC000595837466 520758071 /nfs/dbraw/zinc/75/80/71/520758071.db2.gz HKCKLIWUTLAKIV-YLJYHZDGSA-N 1 2 357.454 2.603 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc(-c2c(F)cccc2F)s1 ZINC000593153254 520783711 /nfs/dbraw/zinc/78/37/11/520783711.db2.gz HKHCPZSHAVSWNH-INIZCTEOSA-N 1 2 350.394 2.662 20 30 FFEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1 ZINC000610675747 520791430 /nfs/dbraw/zinc/79/14/30/520791430.db2.gz VXKCZTSHNINUFS-RLLQIKCJSA-N 1 2 354.498 2.564 20 30 FFEDLO Cn1cccc1C(=O)N1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614159659 520830874 /nfs/dbraw/zinc/83/08/74/520830874.db2.gz LWKOTKCLRZJVGC-UHFFFAOYSA-N 1 2 350.466 2.784 20 30 FFEDLO N#CC1(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)CCCC1 ZINC000593294531 520890978 /nfs/dbraw/zinc/89/09/78/520890978.db2.gz MKICOASPXYMVIB-HNNXBMFYSA-N 1 2 362.499 2.505 20 30 FFEDLO Cc1cc(NCc2ccc[nH+]c2N2CCOCC2)cc(C#N)c1[N+](=O)[O-] ZINC000596073470 520895653 /nfs/dbraw/zinc/89/56/53/520895653.db2.gz QJZWNRXTXKGTED-UHFFFAOYSA-N 1 2 353.382 2.619 20 30 FFEDLO N#Cc1cc(CN2CC[NH+](CCOc3ccccc3Cl)CC2)ccn1 ZINC000610991241 520933252 /nfs/dbraw/zinc/93/32/52/520933252.db2.gz GPNITPIIZKZVKO-UHFFFAOYSA-N 1 2 356.857 2.803 20 30 FFEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCCc4scnc43)C2=O)cc1 ZINC000599043842 520996109 /nfs/dbraw/zinc/99/61/09/520996109.db2.gz MVSCTYJPLIULPM-HZPDHXFCSA-N 1 2 352.463 2.783 20 30 FFEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cn1 ZINC000611139996 521006461 /nfs/dbraw/zinc/00/64/61/521006461.db2.gz DNRXIRUBWQBEFY-INIZCTEOSA-N 1 2 352.438 2.857 20 30 FFEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cn1 ZINC000611139996 521006468 /nfs/dbraw/zinc/00/64/68/521006468.db2.gz DNRXIRUBWQBEFY-INIZCTEOSA-N 1 2 352.438 2.857 20 30 FFEDLO CC(C)c1ccc(CN(C(=O)C[NH+]2CCN(CCC#N)CC2)C2CC2)cc1 ZINC000611175744 521023122 /nfs/dbraw/zinc/02/31/22/521023122.db2.gz LNVUXHHFEPWEKW-UHFFFAOYSA-N 1 2 368.525 2.832 20 30 FFEDLO N#Cc1cc2cccnc2nc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000596350707 521036594 /nfs/dbraw/zinc/03/65/94/521036594.db2.gz ZPHLGBZKNDLVPP-UXHICEINSA-N 1 2 371.444 2.591 20 30 FFEDLO N#Cc1cc2cccnc2nc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000596350707 521036603 /nfs/dbraw/zinc/03/66/03/521036603.db2.gz ZPHLGBZKNDLVPP-UXHICEINSA-N 1 2 371.444 2.591 20 30 FFEDLO CN1CCCC[C@@H]([N@H+](C)Cc2cc(C#N)ccc2Br)C1=O ZINC000601968317 521047436 /nfs/dbraw/zinc/04/74/36/521047436.db2.gz DSYPNMLQOBJETK-OAHLLOKOSA-N 1 2 350.260 2.763 20 30 FFEDLO CN1CCCC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2Br)C1=O ZINC000601968317 521047441 /nfs/dbraw/zinc/04/74/41/521047441.db2.gz DSYPNMLQOBJETK-OAHLLOKOSA-N 1 2 350.260 2.763 20 30 FFEDLO Cc1cccc2[nH+]cc(CN3CCN(c4oc(C5CC5)nc4C#N)CC3)n21 ZINC000611260287 521063406 /nfs/dbraw/zinc/06/34/06/521063406.db2.gz QEAQDZGGDXIPBV-UHFFFAOYSA-N 1 2 362.437 2.702 20 30 FFEDLO CC(C)NS(=O)(=O)c1cccc(C[NH2+]Cc2cccc(F)c2C#N)c1 ZINC000602004670 521072969 /nfs/dbraw/zinc/07/29/69/521072969.db2.gz HIWRHJBJMOPMEF-UHFFFAOYSA-N 1 2 361.442 2.674 20 30 FFEDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000593563139 521078349 /nfs/dbraw/zinc/07/83/49/521078349.db2.gz RWBPAJOFCXNJLE-CRAIPNDOSA-N 1 2 372.494 2.956 20 30 FFEDLO C[C@]1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H]2C[C@H]2C1 ZINC000599209073 521088940 /nfs/dbraw/zinc/08/89/40/521088940.db2.gz GLKRHXAJRFLHFH-KXTWHKPSSA-N 1 2 352.482 2.822 20 30 FFEDLO Cn1c2ccc(CNS(=O)(=O)c3ccsc3C#N)cc2[nH+]c1C1CC1 ZINC000593592116 521095432 /nfs/dbraw/zinc/09/54/32/521095432.db2.gz FFKFKRYSXJUGEI-UHFFFAOYSA-N 1 2 372.475 2.862 20 30 FFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000599263316 521118056 /nfs/dbraw/zinc/11/80/56/521118056.db2.gz DYRRXKPFPKFDOK-ZWKOTPCHSA-N 1 2 364.873 2.785 20 30 FFEDLO N#CC1(C[C@H](O)C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000599263316 521118066 /nfs/dbraw/zinc/11/80/66/521118066.db2.gz DYRRXKPFPKFDOK-ZWKOTPCHSA-N 1 2 364.873 2.785 20 30 FFEDLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNc2nc3ncccc3cc2C#N)C1 ZINC000596549969 521127078 /nfs/dbraw/zinc/12/70/78/521127078.db2.gz CJMAXFRMIPFXMA-FQEVSTJZSA-N 1 2 372.476 2.730 20 30 FFEDLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNc2nc3ncccc3cc2C#N)C1 ZINC000596549969 521127084 /nfs/dbraw/zinc/12/70/84/521127084.db2.gz CJMAXFRMIPFXMA-FQEVSTJZSA-N 1 2 372.476 2.730 20 30 FFEDLO N#Cc1c(Cl)cccc1N1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000602083950 521132237 /nfs/dbraw/zinc/13/22/37/521132237.db2.gz CIZLDHWWQWGZEL-UHFFFAOYSA-N 1 2 354.841 2.972 20 30 FFEDLO Cc1c[nH]c(C(C)(C)NC(=O)CCC(=O)N(CCC#N)c2ccccc2)[nH+]1 ZINC000593734066 521183008 /nfs/dbraw/zinc/18/30/08/521183008.db2.gz MTAYRYJVUUZAHK-UHFFFAOYSA-N 1 2 367.453 2.797 20 30 FFEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000614922186 521194707 /nfs/dbraw/zinc/19/47/07/521194707.db2.gz JSAIPWLGITTYIA-XJKSGUPXSA-N 1 2 361.408 2.761 20 30 FFEDLO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000614922186 521194717 /nfs/dbraw/zinc/19/47/17/521194717.db2.gz JSAIPWLGITTYIA-XJKSGUPXSA-N 1 2 361.408 2.761 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1 ZINC000611550630 521213817 /nfs/dbraw/zinc/21/38/17/521213817.db2.gz IBQVGTGFMFAQGL-FQEVSTJZSA-N 1 2 367.424 2.995 20 30 FFEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000611551550 521215660 /nfs/dbraw/zinc/21/56/60/521215660.db2.gz RDVDYFIBUCMSJN-HLIPFELVSA-N 1 2 372.488 2.512 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H](C)C1(F)F ZINC000599512599 521269655 /nfs/dbraw/zinc/26/96/55/521269655.db2.gz LFRSUZLCSZRRFB-OKILXGFUSA-N 1 2 373.407 2.906 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H](C)C1(F)F ZINC000599512599 521269665 /nfs/dbraw/zinc/26/96/65/521269665.db2.gz LFRSUZLCSZRRFB-OKILXGFUSA-N 1 2 373.407 2.906 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602476620 521365983 /nfs/dbraw/zinc/36/59/83/521365983.db2.gz YPUGCTNLVNYSOF-SFHVURJKSA-N 1 2 350.422 2.873 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602476620 521365990 /nfs/dbraw/zinc/36/59/90/521365990.db2.gz YPUGCTNLVNYSOF-SFHVURJKSA-N 1 2 350.422 2.873 20 30 FFEDLO CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685712 521399966 /nfs/dbraw/zinc/39/99/66/521399966.db2.gz ICXBYFZJIGCDPC-HNNXBMFYSA-N 1 2 351.454 2.915 20 30 FFEDLO CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685712 521399974 /nfs/dbraw/zinc/39/99/74/521399974.db2.gz ICXBYFZJIGCDPC-HNNXBMFYSA-N 1 2 351.454 2.915 20 30 FFEDLO Cc1cc(NCCNC(=O)Nc2ccc(F)c(C#N)c2)nc(C(C)C)[nH+]1 ZINC000599734637 521436810 /nfs/dbraw/zinc/43/68/10/521436810.db2.gz CFWZGTORDBMINQ-UHFFFAOYSA-N 1 2 356.405 2.575 20 30 FFEDLO N#CCCCOc1cccnc1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000615556854 521447765 /nfs/dbraw/zinc/44/77/65/521447765.db2.gz CXTDWLQGCSITQZ-UHFFFAOYSA-N 1 2 365.437 2.901 20 30 FFEDLO C=CC[N@H+](C[C@@H]1CNc2ccnn2C1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000619266737 521483935 /nfs/dbraw/zinc/48/39/35/521483935.db2.gz SSBSKHNFJGTHNX-RBUKOAKNSA-N 1 2 368.481 2.587 20 30 FFEDLO C=CC[N@@H+](C[C@@H]1CNc2ccnn2C1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000619266737 521483941 /nfs/dbraw/zinc/48/39/41/521483941.db2.gz SSBSKHNFJGTHNX-RBUKOAKNSA-N 1 2 368.481 2.587 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)ccn1 ZINC000615647213 521489241 /nfs/dbraw/zinc/48/92/41/521489241.db2.gz UTEXLRUXLPPRSC-UHFFFAOYSA-N 1 2 368.388 2.536 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)ccn1 ZINC000615647213 521489248 /nfs/dbraw/zinc/48/92/48/521489248.db2.gz UTEXLRUXLPPRSC-UHFFFAOYSA-N 1 2 368.388 2.536 20 30 FFEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N3CC[C@@](F)(C#N)C3)c2C1 ZINC000615664946 521495132 /nfs/dbraw/zinc/49/51/32/521495132.db2.gz UCXGCZPMMORZEO-HXUWFJFHSA-N 1 2 352.413 2.691 20 30 FFEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N3CC[C@@](F)(C#N)C3)c2C1 ZINC000615664946 521495138 /nfs/dbraw/zinc/49/51/38/521495138.db2.gz UCXGCZPMMORZEO-HXUWFJFHSA-N 1 2 352.413 2.691 20 30 FFEDLO C[NH+](C)[C@H](CNC(=O)N1CCC[C@](C)(C#N)C1)c1c(F)cccc1F ZINC000612136710 521500500 /nfs/dbraw/zinc/50/05/00/521500500.db2.gz HDZLFNFSWHWEIO-CRAIPNDOSA-N 1 2 350.413 2.903 20 30 FFEDLO COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CCC[C@@](C)(C#N)C2)cc1OC ZINC000612161586 521512870 /nfs/dbraw/zinc/51/28/70/521512870.db2.gz CQTKHJWKANSUII-YWZLYKJASA-N 1 2 359.470 2.676 20 30 FFEDLO COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CCC[C@@](C)(C#N)C2)cc1OC ZINC000612161586 521512879 /nfs/dbraw/zinc/51/28/79/521512879.db2.gz CQTKHJWKANSUII-YWZLYKJASA-N 1 2 359.470 2.676 20 30 FFEDLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CCN(CCC#N)CC1 ZINC000602747843 521513873 /nfs/dbraw/zinc/51/38/73/521513873.db2.gz GEASCSZFBFTHEX-UHFFFAOYSA-N 1 2 359.424 2.799 20 30 FFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000594279042 521530460 /nfs/dbraw/zinc/53/04/60/521530460.db2.gz DDGSQDWZYOIAGV-INIZCTEOSA-N 1 2 368.506 2.928 20 30 FFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000594279042 521530469 /nfs/dbraw/zinc/53/04/69/521530469.db2.gz DDGSQDWZYOIAGV-INIZCTEOSA-N 1 2 368.506 2.928 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000615787708 521532090 /nfs/dbraw/zinc/53/20/90/521532090.db2.gz UMZYLACICIWKNF-OPRDCNLKSA-N 1 2 357.298 2.610 20 30 FFEDLO N#C[C@@]1(F)CCN(C(=O)C2CCN(c3ccc4cccc(O)c4[nH+]3)CC2)C1 ZINC000615825487 521548892 /nfs/dbraw/zinc/54/88/92/521548892.db2.gz QWRAKALAKRRUBI-FQEVSTJZSA-N 1 2 368.412 2.621 20 30 FFEDLO COc1cccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1F ZINC000619724959 521839049 /nfs/dbraw/zinc/83/90/49/521839049.db2.gz VNAORKJDWLDLLK-UHFFFAOYSA-N 1 2 356.401 2.894 20 30 FFEDLO N#Cc1cc(O)cc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000619729367 521841294 /nfs/dbraw/zinc/84/12/94/521841294.db2.gz VGKGACVCMDGPLO-HNNXBMFYSA-N 1 2 350.422 2.816 20 30 FFEDLO N#Cc1ccc(CNc2[nH+]cnc3c2cnn3-c2ncccn2)cc1Cl ZINC000619743334 521850475 /nfs/dbraw/zinc/85/04/75/521850475.db2.gz JVCWXEFEPYASLT-UHFFFAOYSA-N 1 2 362.784 2.743 20 30 FFEDLO N#Cc1ccc(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)cc1Cl ZINC000619746793 521852967 /nfs/dbraw/zinc/85/29/67/521852967.db2.gz PAEYGXVHGRROFM-AWEZNQCLSA-N 1 2 357.845 2.822 20 30 FFEDLO N#Cc1ccc(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)cc1Cl ZINC000619746793 521852976 /nfs/dbraw/zinc/85/29/76/521852976.db2.gz PAEYGXVHGRROFM-AWEZNQCLSA-N 1 2 357.845 2.822 20 30 FFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000620306386 522170723 /nfs/dbraw/zinc/17/07/23/522170723.db2.gz DWASOGPANPBIEX-HDICACEKSA-N 1 2 356.466 2.772 20 30 FFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000620306386 522170731 /nfs/dbraw/zinc/17/07/31/522170731.db2.gz DWASOGPANPBIEX-HDICACEKSA-N 1 2 356.466 2.772 20 30 FFEDLO C=CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000629436094 522219914 /nfs/dbraw/zinc/21/99/14/522219914.db2.gz QYFCTQPCWHMDHY-NHCUHLMSSA-N 1 2 365.477 2.759 20 30 FFEDLO C=CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000629436094 522219928 /nfs/dbraw/zinc/21/99/28/522219928.db2.gz QYFCTQPCWHMDHY-NHCUHLMSSA-N 1 2 365.477 2.759 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[NH+](Cc3c(C)nc4cc(C)ccn43)CC2)C1 ZINC000630505269 522897201 /nfs/dbraw/zinc/89/72/01/522897201.db2.gz FIUIXTOOJYFDFW-UHFFFAOYSA-N 1 2 352.482 2.952 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCN(Cc3c(C)[nH+]c4cc(C)ccn43)CC2)C1 ZINC000630505269 522897210 /nfs/dbraw/zinc/89/72/10/522897210.db2.gz FIUIXTOOJYFDFW-UHFFFAOYSA-N 1 2 352.482 2.952 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)cc1OC ZINC000628259810 523445086 /nfs/dbraw/zinc/44/50/86/523445086.db2.gz JNOYOPWYRMUYCY-UKRRQHHQSA-N 1 2 350.846 2.624 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)cc1OC ZINC000628259810 523445100 /nfs/dbraw/zinc/44/51/00/523445100.db2.gz JNOYOPWYRMUYCY-UKRRQHHQSA-N 1 2 350.846 2.624 20 30 FFEDLO C=C(C)COc1cc(C[NH2+]Cc2nnc(C3CCOCC3)[nH]2)ccc1OC ZINC000631215200 523470775 /nfs/dbraw/zinc/47/07/75/523470775.db2.gz NBIGHEXLIGRQKP-UHFFFAOYSA-N 1 2 372.469 2.952 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)cc1OC ZINC000628315409 523478891 /nfs/dbraw/zinc/47/88/91/523478891.db2.gz KINSPRROCZXMOW-AWEZNQCLSA-N 1 2 355.862 2.885 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@@H](CO)OC(C)(C)C2)cc1OC ZINC000628315409 523478895 /nfs/dbraw/zinc/47/88/95/523478895.db2.gz KINSPRROCZXMOW-AWEZNQCLSA-N 1 2 355.862 2.885 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC000736300523 600597576 /nfs/dbraw/zinc/59/75/76/600597576.db2.gz ZZINHJWEMMJQJE-CRAIPNDOSA-N 1 2 352.438 2.783 20 30 FFEDLO Cc1nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c(Cl)cc1C#N ZINC001165010362 721721114 /nfs/dbraw/zinc/72/11/14/721721114.db2.gz GPGBCESFDKNFJQ-UHFFFAOYSA-N 1 2 373.892 2.757 20 30 FFEDLO Cc1nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c(Cl)cc1C#N ZINC001165010362 721721119 /nfs/dbraw/zinc/72/11/19/721721119.db2.gz GPGBCESFDKNFJQ-UHFFFAOYSA-N 1 2 373.892 2.757 20 30 FFEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC001164917583 721812987 /nfs/dbraw/zinc/81/29/87/721812987.db2.gz NOHRPNGIOCLFFR-UHFFFAOYSA-N 1 2 356.861 2.553 20 30 FFEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](C)C[C@@H]2CCCOC2)c1=S ZINC000107672167 728517013 /nfs/dbraw/zinc/51/70/13/728517013.db2.gz SGZABRLSBWWQQW-HNNXBMFYSA-N 1 2 359.499 2.978 20 30 FFEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)C[C@@H]2CCCOC2)c1=S ZINC000107672167 728517015 /nfs/dbraw/zinc/51/70/15/728517015.db2.gz SGZABRLSBWWQQW-HNNXBMFYSA-N 1 2 359.499 2.978 20 30 FFEDLO C=CCn1c(=S)n(CN2CC[C@@H](Oc3cc[nH+]cc3)C2)nc1C1CC1 ZINC000121169821 728621658 /nfs/dbraw/zinc/62/16/58/728621658.db2.gz BIEMCLVLRMVEIN-MRXNPFEDSA-N 1 2 357.483 2.983 20 30 FFEDLO Cc1cc(C(N)=[NH+]OCc2ccc(S(=O)(=O)C(F)F)cc2)ccc1F ZINC000177564661 729139148 /nfs/dbraw/zinc/13/91/48/729139148.db2.gz KOAQRNMHKIYLME-UHFFFAOYSA-N 1 2 372.368 2.968 20 30 FFEDLO C#CC[C@H](COC)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000858321320 730422545 /nfs/dbraw/zinc/42/25/45/730422545.db2.gz YXLZARAKSPUTIG-KBRIMQKVSA-N 1 2 367.852 2.562 20 30 FFEDLO C#CC[C@H](COC)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000858321320 730422547 /nfs/dbraw/zinc/42/25/47/730422547.db2.gz YXLZARAKSPUTIG-KBRIMQKVSA-N 1 2 367.852 2.562 20 30 FFEDLO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CC(=O)NCCC#N ZINC000859912949 730469061 /nfs/dbraw/zinc/46/90/61/730469061.db2.gz IPZQPXXBRSYTEA-HNNXBMFYSA-N 1 2 350.260 2.924 20 30 FFEDLO Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CC(=O)NCCC#N ZINC000859912949 730469062 /nfs/dbraw/zinc/46/90/62/730469062.db2.gz IPZQPXXBRSYTEA-HNNXBMFYSA-N 1 2 350.260 2.924 20 30 FFEDLO CC[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)C)CC1)c1cccc(C#N)c1O ZINC000925180089 738486698 /nfs/dbraw/zinc/48/66/98/738486698.db2.gz GRFLTLOYIKSWST-KRWDZBQOSA-N 1 2 365.499 2.507 20 30 FFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000864428470 730844763 /nfs/dbraw/zinc/84/47/63/730844763.db2.gz DSUPBMMSWPNLBS-RISCZKNCSA-N 1 2 351.332 2.746 20 30 FFEDLO N#Cc1cc(C(F)(F)F)cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000865459682 730957957 /nfs/dbraw/zinc/95/79/57/730957957.db2.gz JGYLBZQGDZMOIM-HNNXBMFYSA-N 1 2 372.416 2.592 20 30 FFEDLO C[C@@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1cccc(C#N)c1O ZINC000866237279 731042965 /nfs/dbraw/zinc/04/29/65/731042965.db2.gz HTVSIRGOVJXTMJ-OAHLLOKOSA-N 1 2 358.463 2.920 20 30 FFEDLO C=CCCn1cc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)nn1 ZINC000657329756 731770212 /nfs/dbraw/zinc/77/02/12/731770212.db2.gz DBNNQAPNNFOWHB-UHFFFAOYSA-N 1 2 365.231 2.635 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)nn1 ZINC000657427619 731778860 /nfs/dbraw/zinc/77/88/60/731778860.db2.gz CKLKVXRDIMWYNT-INIZCTEOSA-N 1 2 363.824 2.542 20 30 FFEDLO C#CCC1(O)CC[NH+](CC(=O)c2cc(C)n(CC(F)(F)F)c2C)CC1 ZINC000880479239 732913318 /nfs/dbraw/zinc/91/33/18/732913318.db2.gz QXFAKADBADDKOY-UHFFFAOYSA-N 1 2 356.388 2.700 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000685572439 734322656 /nfs/dbraw/zinc/32/26/56/734322656.db2.gz OZRKKOCFYMSWJH-KRWDZBQOSA-N 1 2 356.388 2.677 20 30 FFEDLO Cc1nsc(N(C)C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)c1C#N ZINC000891429013 734428784 /nfs/dbraw/zinc/42/87/84/734428784.db2.gz XMHXSGKNJRHTQP-UHFFFAOYSA-N 1 2 361.377 2.923 20 30 FFEDLO CCC[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000735308754 734940218 /nfs/dbraw/zinc/94/02/18/734940218.db2.gz RGIUBCHSRLNCIP-OAHLLOKOSA-N 1 2 356.875 2.641 20 30 FFEDLO CCC[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000735308754 734940220 /nfs/dbraw/zinc/94/02/20/734940220.db2.gz RGIUBCHSRLNCIP-OAHLLOKOSA-N 1 2 356.875 2.641 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000739903282 735061732 /nfs/dbraw/zinc/06/17/32/735061732.db2.gz KEEQUEIVKLPVJQ-SFHVURJKSA-N 1 2 355.463 2.652 20 30 FFEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896905848 735187449 /nfs/dbraw/zinc/18/74/49/735187449.db2.gz MAUBRZLKXJQGKY-GFCCVEGCSA-N 1 2 356.854 2.679 20 30 FFEDLO N#CC1(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CCSCC1 ZINC000901204215 735756444 /nfs/dbraw/zinc/75/64/44/735756444.db2.gz GDDYOILWFVBCLY-UHFFFAOYSA-N 1 2 355.467 2.514 20 30 FFEDLO C=CCCC[N@@H+](CC)Cn1nc(N2CCOCC2)n(C2CC2)c1=S ZINC000902668506 735978745 /nfs/dbraw/zinc/97/87/45/735978745.db2.gz BLYZQIBKXVMFJD-UHFFFAOYSA-N 1 2 351.520 2.831 20 30 FFEDLO C=CCCC[N@H+](CC)Cn1nc(N2CCOCC2)n(C2CC2)c1=S ZINC000902668506 735978748 /nfs/dbraw/zinc/97/87/48/735978748.db2.gz BLYZQIBKXVMFJD-UHFFFAOYSA-N 1 2 351.520 2.831 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000903208266 736055290 /nfs/dbraw/zinc/05/52/90/736055290.db2.gz FPCQGFWEWQDXJC-CQSZACIVSA-N 1 2 361.492 2.550 20 30 FFEDLO Cn1nc(-c2ccccc2)c(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)c1Cl ZINC000753936194 736108045 /nfs/dbraw/zinc/10/80/45/736108045.db2.gz SFGXPCRBIYBPAG-GJZGRUSLSA-N 1 2 356.861 2.934 20 30 FFEDLO CC(C)C[N@H+](CCC#N)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000755675032 736269978 /nfs/dbraw/zinc/26/99/78/736269978.db2.gz UGXZJTAZKQMNMB-UHFFFAOYSA-N 1 2 363.259 2.829 20 30 FFEDLO CC(C)C[N@@H+](CCC#N)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000755675032 736269981 /nfs/dbraw/zinc/26/99/81/736269981.db2.gz UGXZJTAZKQMNMB-UHFFFAOYSA-N 1 2 363.259 2.829 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)cc1 ZINC000905452192 736342265 /nfs/dbraw/zinc/34/22/65/736342265.db2.gz IWUXQAYGLQBFNS-RBUKOAKNSA-N 1 2 358.438 2.947 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2c3ccccc3CC[C@@H]2F)cc1 ZINC000905452191 736342408 /nfs/dbraw/zinc/34/24/08/736342408.db2.gz IWUXQAYGLQBFNS-OALUTQOASA-N 1 2 358.438 2.947 20 30 FFEDLO C#CCCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000758063268 736449375 /nfs/dbraw/zinc/44/93/75/736449375.db2.gz QTNDCRBDNGYGLG-UHFFFAOYSA-N 1 2 364.287 2.943 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000906845467 736550907 /nfs/dbraw/zinc/55/09/07/736550907.db2.gz MCZPWHOMLNIKKM-UHFFFAOYSA-N 1 2 355.463 2.532 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](C[C@H](O)c3ccc(Cl)c(F)c3)CC2)c1 ZINC000759844416 736598496 /nfs/dbraw/zinc/59/84/96/736598496.db2.gz MVVFMLJPYHXHPL-KRWDZBQOSA-N 1 2 360.820 2.601 20 30 FFEDLO COc1ccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1C#N ZINC000763382961 736934154 /nfs/dbraw/zinc/93/41/54/736934154.db2.gz MQGCUOUBPXDVHM-MRXNPFEDSA-N 1 2 374.238 2.646 20 30 FFEDLO N#Cc1cnc(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)c(Cl)c1 ZINC000910780972 737128279 /nfs/dbraw/zinc/12/82/79/737128279.db2.gz MTVHOVRKGHZIBW-UHFFFAOYSA-N 1 2 352.825 2.707 20 30 FFEDLO N#Cc1cnc(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)c(Cl)c1 ZINC000910780972 737128280 /nfs/dbraw/zinc/12/82/80/737128280.db2.gz MTVHOVRKGHZIBW-UHFFFAOYSA-N 1 2 352.825 2.707 20 30 FFEDLO C=C(Cl)CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000766319649 737218920 /nfs/dbraw/zinc/21/89/20/737218920.db2.gz OWUHDIXIHDVWCK-GJZGRUSLSA-N 1 2 358.269 2.763 20 30 FFEDLO C=C(Cl)CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000766319649 737218924 /nfs/dbraw/zinc/21/89/24/737218924.db2.gz OWUHDIXIHDVWCK-GJZGRUSLSA-N 1 2 358.269 2.763 20 30 FFEDLO S=C(NCCc1cccs1)N[NH+]=Cc1ccccc1N1CCOCC1 ZINC000912817765 737343782 /nfs/dbraw/zinc/34/37/82/737343782.db2.gz NPXQLKLFSMHMRL-UHFFFAOYSA-N 1 2 374.535 2.625 20 30 FFEDLO Cc1ccc(S(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)c(C#N)c1 ZINC000920602840 737916533 /nfs/dbraw/zinc/91/65/33/737916533.db2.gz ARBYKLSBGMBVLY-UHFFFAOYSA-N 1 2 356.451 2.527 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000776129745 738164161 /nfs/dbraw/zinc/16/41/61/738164161.db2.gz VFFBLSWNMYOCTE-CXAGYDPISA-N 1 2 353.413 2.602 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000776129745 738164166 /nfs/dbraw/zinc/16/41/66/738164166.db2.gz VFFBLSWNMYOCTE-CXAGYDPISA-N 1 2 353.413 2.602 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000776129746 738164192 /nfs/dbraw/zinc/16/41/92/738164192.db2.gz VFFBLSWNMYOCTE-DYVFJYSZSA-N 1 2 353.413 2.602 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000776129746 738164195 /nfs/dbraw/zinc/16/41/95/738164195.db2.gz VFFBLSWNMYOCTE-DYVFJYSZSA-N 1 2 353.413 2.602 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)CC1 ZINC000777377272 738284175 /nfs/dbraw/zinc/28/41/75/738284175.db2.gz UWDVIIQHWNUGMT-UHFFFAOYSA-N 1 2 356.857 2.615 20 30 FFEDLO CC(C)c1nnc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000778548701 738393306 /nfs/dbraw/zinc/39/33/06/738393306.db2.gz ZKKZOJUEDLLGSD-OAHLLOKOSA-N 1 2 355.467 2.818 20 30 FFEDLO CC[C@H]1C[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)CCN1CC(F)F ZINC000930142470 739064885 /nfs/dbraw/zinc/06/48/85/739064885.db2.gz IJFSUKFRJWSAQI-ONGXEEELSA-N 1 2 354.310 2.596 20 30 FFEDLO CC[C@H]1C[N@@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)CCN1CC(F)F ZINC000930142470 739064890 /nfs/dbraw/zinc/06/48/90/739064890.db2.gz IJFSUKFRJWSAQI-ONGXEEELSA-N 1 2 354.310 2.596 20 30 FFEDLO N#CC1(CCCC[N@H+]2CCc3sc(S(N)(=O)=O)cc3C2)CCC1 ZINC000931072858 739206961 /nfs/dbraw/zinc/20/69/61/739206961.db2.gz MTWIRHDMIGHPDX-UHFFFAOYSA-N 1 2 353.513 2.618 20 30 FFEDLO N#CC1(CCCC[N@@H+]2CCc3sc(S(N)(=O)=O)cc3C2)CCC1 ZINC000931072858 739206965 /nfs/dbraw/zinc/20/69/65/739206965.db2.gz MTWIRHDMIGHPDX-UHFFFAOYSA-N 1 2 353.513 2.618 20 30 FFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](CC#N)C(F)(F)F)CC1 ZINC000932909097 739535268 /nfs/dbraw/zinc/53/52/68/739535268.db2.gz GBMFVMNPKJEYCI-YPMHNXCESA-N 1 2 360.405 2.981 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@H+](C[C@@H](O)COCc3cccs3)CCO2)cc1 ZINC000933623430 739663491 /nfs/dbraw/zinc/66/34/91/739663491.db2.gz BMYRTGBQAOQZNI-IEBWSBKVSA-N 1 2 358.463 2.571 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@@H+](C[C@@H](O)COCc3cccs3)CCO2)cc1 ZINC000933623430 739663496 /nfs/dbraw/zinc/66/34/96/739663496.db2.gz BMYRTGBQAOQZNI-IEBWSBKVSA-N 1 2 358.463 2.571 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C)O2)C(C)(C)C1 ZINC000941046817 740195083 /nfs/dbraw/zinc/19/50/83/740195083.db2.gz MPOGKQDPBGZUHF-MCIONIFRSA-N 1 2 359.308 2.679 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C)O2)C(C)(C)C1 ZINC000941046817 740195088 /nfs/dbraw/zinc/19/50/88/740195088.db2.gz MPOGKQDPBGZUHF-MCIONIFRSA-N 1 2 359.308 2.679 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2nc(C)cs2)C1 ZINC000970558431 740752217 /nfs/dbraw/zinc/75/22/17/740752217.db2.gz CTXMJNZRBJGDOK-ZVZYQTTQSA-N 1 2 363.527 2.759 20 30 FFEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)C2)C1 ZINC000972517251 740833238 /nfs/dbraw/zinc/83/32/38/740833238.db2.gz CXLTUQFUYXBNKX-LBTNJELSSA-N 1 2 366.914 2.994 20 30 FFEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)C2)C1 ZINC000972517251 740833244 /nfs/dbraw/zinc/83/32/44/740833244.db2.gz CXLTUQFUYXBNKX-LBTNJELSSA-N 1 2 366.914 2.994 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)sc2C)C1 ZINC000972522331 740833320 /nfs/dbraw/zinc/83/33/20/740833320.db2.gz KVQSWFUSTZNNNY-BQFCYCMXSA-N 1 2 363.527 2.774 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)sc2C)C1 ZINC000972522331 740833328 /nfs/dbraw/zinc/83/33/28/740833328.db2.gz KVQSWFUSTZNNNY-BQFCYCMXSA-N 1 2 363.527 2.774 20 30 FFEDLO C#C[C@H](C)N(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000812193392 741594798 /nfs/dbraw/zinc/59/47/98/741594798.db2.gz HSRSAHMRPVKIOH-XNJJOIOASA-N 1 2 353.388 2.902 20 30 FFEDLO C#C[C@H](C)N(C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000812193392 741594800 /nfs/dbraw/zinc/59/48/00/741594800.db2.gz HSRSAHMRPVKIOH-XNJJOIOASA-N 1 2 353.388 2.902 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cscn1)CC2 ZINC000990734149 741727215 /nfs/dbraw/zinc/72/72/15/741727215.db2.gz ABTQJELNTNKFDR-NTDBWNAOSA-N 1 2 361.511 2.738 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1cscn1)CC2 ZINC000990734149 741727216 /nfs/dbraw/zinc/72/72/16/741727216.db2.gz ABTQJELNTNKFDR-NTDBWNAOSA-N 1 2 361.511 2.738 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000814176652 741800752 /nfs/dbraw/zinc/80/07/52/741800752.db2.gz TXTRMSMJMBVQHR-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Br)c(CC)s2)CC1 ZINC000815186447 741909863 /nfs/dbraw/zinc/90/98/63/741909863.db2.gz SRUOYBYIEJIJEN-UHFFFAOYSA-N 1 2 355.301 2.854 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)[C@@H](C#N)C1 ZINC000815631221 741949066 /nfs/dbraw/zinc/94/90/66/741949066.db2.gz SXNNNVJSSZUTEW-BPUTZDHNSA-N 1 2 365.861 2.722 20 30 FFEDLO O=S(=O)(c1ccc(NNC=CC(F)(F)F)[nH+]c1)N1CCCCC1 ZINC000817323059 742124299 /nfs/dbraw/zinc/12/42/99/742124299.db2.gz QYLAJQKQDLGKDM-UHFFFAOYSA-N 1 2 350.366 2.606 20 30 FFEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)nn1 ZINC000818347755 742265613 /nfs/dbraw/zinc/26/56/13/742265613.db2.gz VHVFXHADQKEWIF-CQSZACIVSA-N 1 2 361.877 2.805 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)O1 ZINC001008594076 742386768 /nfs/dbraw/zinc/38/67/68/742386768.db2.gz AQGWXRNCBCBQAK-AYOQOUSVSA-N 1 2 360.885 2.840 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)O1 ZINC001008594076 742386774 /nfs/dbraw/zinc/38/67/74/742386774.db2.gz AQGWXRNCBCBQAK-AYOQOUSVSA-N 1 2 360.885 2.840 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001014801518 742472706 /nfs/dbraw/zinc/47/27/06/742472706.db2.gz QQLBRBJESBFFSC-QRQLOZEOSA-N 1 2 360.885 2.697 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001014801518 742472709 /nfs/dbraw/zinc/47/27/09/742472709.db2.gz QQLBRBJESBFFSC-QRQLOZEOSA-N 1 2 360.885 2.697 20 30 FFEDLO C#C[C@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000820750155 742544940 /nfs/dbraw/zinc/54/49/40/742544940.db2.gz LEEICIDQMSFMAH-GUYCJALGSA-N 1 2 367.852 2.516 20 30 FFEDLO C#C[C@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc(Cl)cc1F ZINC000820754969 742545377 /nfs/dbraw/zinc/54/53/77/742545377.db2.gz FQPCDCPGHPLGTB-AHIWAGSCSA-N 1 2 367.852 2.562 20 30 FFEDLO C#C[C@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc(Cl)cc1F ZINC000820754969 742545381 /nfs/dbraw/zinc/54/53/81/742545381.db2.gz FQPCDCPGHPLGTB-AHIWAGSCSA-N 1 2 367.852 2.562 20 30 FFEDLO CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(N)[nH+]c2)cc1 ZINC000821030962 742579223 /nfs/dbraw/zinc/57/92/23/742579223.db2.gz FCVUWOSFIQQLSS-VZUCSPMQSA-N 1 2 359.451 2.590 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2nccs2)C1 ZINC001027607815 742775562 /nfs/dbraw/zinc/77/55/62/742775562.db2.gz GWMLRCPFPVEWLH-BQFCYCMXSA-N 1 2 363.527 2.937 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2nccs2)C1 ZINC001027607815 742775568 /nfs/dbraw/zinc/77/55/68/742775568.db2.gz GWMLRCPFPVEWLH-BQFCYCMXSA-N 1 2 363.527 2.937 20 30 FFEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001028153936 742788257 /nfs/dbraw/zinc/78/82/57/742788257.db2.gz ZGTXTQLHVRXJQO-OWCLPIDISA-N 1 2 364.287 2.674 20 30 FFEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001028153936 742788260 /nfs/dbraw/zinc/78/82/60/742788260.db2.gz ZGTXTQLHVRXJQO-OWCLPIDISA-N 1 2 364.287 2.674 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2csc(CC)n2)C1 ZINC001033087553 742869946 /nfs/dbraw/zinc/86/99/46/742869946.db2.gz WEXWMRUBYDVDRQ-ZACQAIPSSA-N 1 2 363.527 2.719 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2csc(CC)n2)C1 ZINC001033087553 742869953 /nfs/dbraw/zinc/86/99/53/742869953.db2.gz WEXWMRUBYDVDRQ-ZACQAIPSSA-N 1 2 363.527 2.719 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001033496155 742895247 /nfs/dbraw/zinc/89/52/47/742895247.db2.gz HCVIDIJSEGLIGT-RYRKJORJSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001033496155 742895256 /nfs/dbraw/zinc/89/52/56/742895256.db2.gz HCVIDIJSEGLIGT-RYRKJORJSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](CC(=C)Br)C1 ZINC001033833226 742897045 /nfs/dbraw/zinc/89/70/45/742897045.db2.gz NEHSPTDZUIOEGJ-XHSDSOJGSA-N 1 2 371.319 2.799 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](CC(=C)Br)C1 ZINC001033833226 742897054 /nfs/dbraw/zinc/89/70/54/742897054.db2.gz NEHSPTDZUIOEGJ-XHSDSOJGSA-N 1 2 371.319 2.799 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001033838960 742899699 /nfs/dbraw/zinc/89/96/99/742899699.db2.gz VRNCLHIIDQCUBN-BBWFWOEESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001033838960 742899709 /nfs/dbraw/zinc/89/97/09/742899709.db2.gz VRNCLHIIDQCUBN-BBWFWOEESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2csc(C)n2)C1 ZINC001034219867 742915389 /nfs/dbraw/zinc/91/53/89/742915389.db2.gz PXADEVDKRRSCGP-NXHRZFHOSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2csc(C)n2)C1 ZINC001034219867 742915399 /nfs/dbraw/zinc/91/53/99/742915399.db2.gz PXADEVDKRRSCGP-NXHRZFHOSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001034403475 742922896 /nfs/dbraw/zinc/92/28/96/742922896.db2.gz HOCWETAVFBOXNZ-CFVMTHIKSA-N 1 2 369.918 2.858 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001034403475 742922901 /nfs/dbraw/zinc/92/29/01/742922901.db2.gz HOCWETAVFBOXNZ-CFVMTHIKSA-N 1 2 369.918 2.858 20 30 FFEDLO C#CCCOc1ccc(C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1 ZINC000825068263 743204803 /nfs/dbraw/zinc/20/48/03/743204803.db2.gz LNPCUZKTSXTYNM-KRWDZBQOSA-N 1 2 350.409 2.825 20 30 FFEDLO C#CCCOc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1 ZINC000825068263 743204806 /nfs/dbraw/zinc/20/48/06/743204806.db2.gz LNPCUZKTSXTYNM-KRWDZBQOSA-N 1 2 350.409 2.825 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)C(F)(F)c2ccc(Br)cc2)CC1 ZINC000825077570 743206137 /nfs/dbraw/zinc/20/61/37/743206137.db2.gz BABMRAJEFUMIML-UHFFFAOYSA-N 1 2 371.225 2.708 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cscn1 ZINC001045781160 743304934 /nfs/dbraw/zinc/30/49/34/743304934.db2.gz ZQIDPCOPBGCSOU-XDNAFOTISA-N 1 2 361.511 2.690 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cscn1 ZINC001045781160 743304944 /nfs/dbraw/zinc/30/49/44/743304944.db2.gz ZQIDPCOPBGCSOU-XDNAFOTISA-N 1 2 361.511 2.690 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001046958518 743342432 /nfs/dbraw/zinc/34/24/32/743342432.db2.gz NLJAVWSUFSZBII-LJISPDSOSA-N 1 2 362.848 2.627 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001046958518 743342441 /nfs/dbraw/zinc/34/24/41/743342441.db2.gz NLJAVWSUFSZBII-LJISPDSOSA-N 1 2 362.848 2.627 20 30 FFEDLO C#CCN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCOc2ccc(Br)cc21 ZINC000827608448 743623217 /nfs/dbraw/zinc/62/32/17/743623217.db2.gz NFVRVWGCIGMQGZ-AWEZNQCLSA-N 1 2 374.238 2.700 20 30 FFEDLO C#CCC[N@@H+](CCOC)Cc1ccc(F)cc1I ZINC000827827323 744986307 /nfs/dbraw/zinc/98/63/07/744986307.db2.gz RMUPJTKOAWCOIK-UHFFFAOYSA-N 1 2 361.198 2.902 20 30 FFEDLO C#CCC[N@H+](CCOC)Cc1ccc(F)cc1I ZINC000827827323 744986310 /nfs/dbraw/zinc/98/63/10/744986310.db2.gz RMUPJTKOAWCOIK-UHFFFAOYSA-N 1 2 361.198 2.902 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)CO2 ZINC001053833266 744999848 /nfs/dbraw/zinc/99/98/48/744999848.db2.gz XZPKRQDBJNKHQK-RRFJBIMHSA-N 1 2 360.420 2.891 20 30 FFEDLO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1 ZINC000847031426 748602319 /nfs/dbraw/zinc/60/23/19/748602319.db2.gz QPTCGRCBNMAUJJ-NSHDSACASA-N 1 2 350.344 2.865 20 30 FFEDLO C#C[C@H]1CCC[N@H+](CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1 ZINC000847031426 748602323 /nfs/dbraw/zinc/60/23/23/748602323.db2.gz QPTCGRCBNMAUJJ-NSHDSACASA-N 1 2 350.344 2.865 20 30 FFEDLO C[C@H]1C[N@H+](CCNC(=S)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)CO1 ZINC000849283199 749086989 /nfs/dbraw/zinc/08/69/89/749086989.db2.gz ZBTASCFOWLEAJH-RYUDHWBXSA-N 1 2 352.891 2.607 20 30 FFEDLO C[C@H]1C[N@@H+](CCNC(=S)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)CO1 ZINC000849283199 749086995 /nfs/dbraw/zinc/08/69/95/749086995.db2.gz ZBTASCFOWLEAJH-RYUDHWBXSA-N 1 2 352.891 2.607 20 30 FFEDLO C[C@]1(c2cccc(Cl)c2)NC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853526800 750083724 /nfs/dbraw/zinc/08/37/24/750083724.db2.gz ZFKXDJJYRSRPHL-SCLBCKFNSA-N 1 2 360.845 2.690 20 30 FFEDLO C[C@]1(c2cccc(Cl)c2)NC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853526800 750083732 /nfs/dbraw/zinc/08/37/32/750083732.db2.gz ZFKXDJJYRSRPHL-SCLBCKFNSA-N 1 2 360.845 2.690 20 30 FFEDLO N#Cc1cc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1Cl ZINC000066871671 845482795 /nfs/dbraw/zinc/48/27/95/845482795.db2.gz KXJMIJYQHMRVLB-UHFFFAOYSA-N 1 2 372.837 2.876 20 30 FFEDLO C#CC[NH+]1CCN(Cn2nc(-c3cc4ccccc4o3)oc2=S)CC1 ZINC000176476611 845712290 /nfs/dbraw/zinc/71/22/90/845712290.db2.gz QJQIVPANHPCULC-UHFFFAOYSA-N 1 2 354.435 2.827 20 30 FFEDLO C=CC[C@@H](C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1 ZINC000488362938 857786999 /nfs/dbraw/zinc/78/69/99/857786999.db2.gz DMWUINRVRFNUMP-GOSISDBHSA-N 1 2 354.454 2.514 20 30 FFEDLO Cc1cn(C(C)(C)C(=O)NC2CCN(c3ccccc3C#N)CC2)c[nH+]1 ZINC000895990683 971122929 /nfs/dbraw/zinc/12/29/29/971122929.db2.gz KLIVYOSEZYWGGR-UHFFFAOYSA-N 1 2 351.454 2.584 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnn(C)n2)C1 ZINC001104940293 971193094 /nfs/dbraw/zinc/19/30/94/971193094.db2.gz BAJOGMPWQGVVGF-IAGOWNOFSA-N 1 2 364.538 2.535 20 30 FFEDLO CC(C)CC(=O)N1CCC[N@H+](Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141113023 971195930 /nfs/dbraw/zinc/19/59/30/971195930.db2.gz UVJUUHZWZAEQGH-UHFFFAOYSA-N 1 2 354.907 2.936 20 30 FFEDLO CC(C)CC(=O)N1CCC[N@@H+](Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141113023 971195935 /nfs/dbraw/zinc/19/59/35/971195935.db2.gz UVJUUHZWZAEQGH-UHFFFAOYSA-N 1 2 354.907 2.936 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)c(NC(C)=O)c3)[C@@H]2C1 ZINC001075828248 971384334 /nfs/dbraw/zinc/38/43/34/971384334.db2.gz GXDHJWGNNPFNTJ-FUHWJXTLSA-N 1 2 361.873 2.852 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)c(NC(C)=O)c3)[C@@H]2C1 ZINC001075828248 971384342 /nfs/dbraw/zinc/38/43/42/971384342.db2.gz GXDHJWGNNPFNTJ-FUHWJXTLSA-N 1 2 361.873 2.852 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(CC)no3)CC[C@@H]2C1 ZINC001087978612 971440541 /nfs/dbraw/zinc/44/05/41/971440541.db2.gz JYCQFNGTFGBJLU-KGLIPLIRSA-N 1 2 366.893 2.691 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(CC)no3)CC[C@@H]2C1 ZINC001087978612 971440543 /nfs/dbraw/zinc/44/05/43/971440543.db2.gz JYCQFNGTFGBJLU-KGLIPLIRSA-N 1 2 366.893 2.691 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)N[C@H](c2ccc(F)cc2)C(C)C)cc1 ZINC000054230452 971563860 /nfs/dbraw/zinc/56/38/60/971563860.db2.gz MWTSLICJJVZWJJ-IBGZPJMESA-N 1 2 373.428 2.985 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C4CC4)n3C)CC[C@@H]2C1 ZINC001088064653 972067056 /nfs/dbraw/zinc/06/70/56/972067056.db2.gz OINXWDHRIMGHRV-SJORKVTESA-N 1 2 371.529 2.575 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C4CC4)n3C)CC[C@@H]2C1 ZINC001088064653 972067061 /nfs/dbraw/zinc/06/70/61/972067061.db2.gz OINXWDHRIMGHRV-SJORKVTESA-N 1 2 371.529 2.575 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)CC2(C)C)O1 ZINC000975068007 972338755 /nfs/dbraw/zinc/33/87/55/972338755.db2.gz AKJAFSMHNCMIMF-FSPWUOQZSA-N 1 2 359.445 2.591 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)CC2(C)C)O1 ZINC000975068007 972338760 /nfs/dbraw/zinc/33/87/60/972338760.db2.gz AKJAFSMHNCMIMF-FSPWUOQZSA-N 1 2 359.445 2.591 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCO[C@@H](C(F)F)CC2)cc1 ZINC000872269518 1013194035 /nfs/dbraw/zinc/19/40/35/1013194035.db2.gz SWCQBZANWLSAJV-NVXWUHKLSA-N 1 2 365.424 2.986 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCO[C@@H](C(F)F)CC2)cc1 ZINC000872269518 1013194041 /nfs/dbraw/zinc/19/40/41/1013194041.db2.gz SWCQBZANWLSAJV-NVXWUHKLSA-N 1 2 365.424 2.986 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2c(F)cccc2F)C1 ZINC000970571601 961736703 /nfs/dbraw/zinc/73/67/03/961736703.db2.gz MWQXSMULDPSYRI-WTANOLMUSA-N 1 2 364.436 2.883 20 30 FFEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(F)ccc(Cl)c1F)CC2 ZINC001276054786 1013376927 /nfs/dbraw/zinc/37/69/27/1013376927.db2.gz XRMDCMQBMVPOKC-ZDUSSCGKSA-N 1 2 352.812 2.970 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1OC ZINC001111488626 962945185 /nfs/dbraw/zinc/94/51/85/962945185.db2.gz PQQSNGYKFMIAPJ-LIRZEXBASA-N 1 2 362.445 2.647 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1OC ZINC001111488626 962945201 /nfs/dbraw/zinc/94/52/01/962945201.db2.gz PQQSNGYKFMIAPJ-LIRZEXBASA-N 1 2 362.445 2.647 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccc(Cl)c1F)C2 ZINC001276065475 1013388560 /nfs/dbraw/zinc/38/85/60/1013388560.db2.gz MBLNIOGZHYCNQU-SFHVURJKSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(Cl)c1F)C2 ZINC001276065475 1013388569 /nfs/dbraw/zinc/38/85/69/1013388569.db2.gz MBLNIOGZHYCNQU-SFHVURJKSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001021741576 963288578 /nfs/dbraw/zinc/28/85/78/963288578.db2.gz OVZLESKMRXRASW-DLBZAZTESA-N 1 2 366.465 2.528 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)cc1C#N ZINC000135098129 963709838 /nfs/dbraw/zinc/70/98/38/963709838.db2.gz XPKRIEONMYFROY-UHFFFAOYSA-N 1 2 365.462 2.894 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001022073560 964232725 /nfs/dbraw/zinc/23/27/25/964232725.db2.gz UDETVQGKOLXSEV-FIKMYACPSA-N 1 2 366.465 2.838 20 30 FFEDLO N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4c(F)cccc4F)C[C@H]32)[nH]1 ZINC001075699054 964248363 /nfs/dbraw/zinc/24/83/63/964248363.db2.gz QZNYAZQZDAKAKP-KPZWWZAWSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4c(F)cccc4F)C[C@H]32)[nH]1 ZINC001075699054 964248377 /nfs/dbraw/zinc/24/83/77/964248377.db2.gz QZNYAZQZDAKAKP-KPZWWZAWSA-N 1 2 356.376 2.511 20 30 FFEDLO O=C(CCS)N1CC[C@]2(CCC[C@@H]2C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001269872269 964399460 /nfs/dbraw/zinc/39/94/60/964399460.db2.gz HBTHYOUYYWLAIB-AUUYWEPGSA-N 1 2 372.494 2.612 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971714996 964732167 /nfs/dbraw/zinc/73/21/67/964732167.db2.gz BXMQCIAEMPXYDY-CCKFTAQKSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971714996 964732178 /nfs/dbraw/zinc/73/21/78/964732178.db2.gz BXMQCIAEMPXYDY-CCKFTAQKSA-N 1 2 359.445 2.545 20 30 FFEDLO CCCCCCCCC(=O)N1CCCC2(C[NH+](CC(=O)N(C)C)C2)C1 ZINC001270163814 964754082 /nfs/dbraw/zinc/75/40/82/964754082.db2.gz JFBMYRQPXIKBFL-UHFFFAOYSA-N 1 2 351.535 2.750 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H](C)c1noc(C)n1 ZINC001087175297 965095636 /nfs/dbraw/zinc/09/56/36/965095636.db2.gz GMYKUUCEHLXCMD-INMHGKMJSA-N 1 2 371.485 2.957 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ocnc2CC)C1 ZINC001087467557 965113697 /nfs/dbraw/zinc/11/36/97/965113697.db2.gz CEBOFHXRFGMNRP-IEBWSBKVSA-N 1 2 369.440 2.987 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ocnc2CC)C1 ZINC001087467557 965113701 /nfs/dbraw/zinc/11/37/01/965113701.db2.gz CEBOFHXRFGMNRP-IEBWSBKVSA-N 1 2 369.440 2.987 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)c2cc(C)co2)C1 ZINC001087477670 965707000 /nfs/dbraw/zinc/70/70/00/965707000.db2.gz BBQLUTGLDPILDS-WMZOPIPTSA-N 1 2 370.424 2.957 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)c2cc(C)co2)C1 ZINC001087477670 965707006 /nfs/dbraw/zinc/70/70/06/965707006.db2.gz BBQLUTGLDPILDS-WMZOPIPTSA-N 1 2 370.424 2.957 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cccnc2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087481631 965894288 /nfs/dbraw/zinc/89/42/88/965894288.db2.gz WTQZLWCLDQSCKN-RBUKOAKNSA-N 1 2 352.413 2.875 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cccnc2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087481631 965894297 /nfs/dbraw/zinc/89/42/97/965894297.db2.gz WTQZLWCLDQSCKN-RBUKOAKNSA-N 1 2 352.413 2.875 20 30 FFEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](Cc3cc(-c4cccs4)on3)C[C@H]21 ZINC001075770633 966024375 /nfs/dbraw/zinc/02/43/75/966024375.db2.gz DGTNTHUOBSNGHQ-DOTOQJQBSA-N 1 2 367.474 2.849 20 30 FFEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](Cc3cc(-c4cccs4)on3)C[C@H]21 ZINC001075770633 966024392 /nfs/dbraw/zinc/02/43/92/966024392.db2.gz DGTNTHUOBSNGHQ-DOTOQJQBSA-N 1 2 367.474 2.849 20 30 FFEDLO CN(C(=O)C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)C1(C#N)CCCCC1 ZINC000152163951 966201516 /nfs/dbraw/zinc/20/15/16/966201516.db2.gz WHQKMKYNNYSRJY-MRXNPFEDSA-N 1 2 370.501 2.546 20 30 FFEDLO C[C@H]1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000126269847 967432728 /nfs/dbraw/zinc/43/27/28/967432728.db2.gz ZGODPKYOEHJNCH-VSJPACRFSA-N 1 2 350.422 2.908 20 30 FFEDLO O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCC(=O)c2cccn21 ZINC000329829856 968130450 /nfs/dbraw/zinc/13/04/50/968130450.db2.gz DWONBWNKAFLCCH-KRWDZBQOSA-N 1 2 359.470 2.997 20 30 FFEDLO NC(=[NH+]OCC(=O)N1CCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000060100313 968163859 /nfs/dbraw/zinc/16/38/59/968163859.db2.gz PYIAMKYYPKQKBB-UHFFFAOYSA-N 1 2 353.422 2.525 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)CCn3cc[nH+]c3)CC2)cc1Cl ZINC001176877934 1013791588 /nfs/dbraw/zinc/79/15/88/1013791588.db2.gz PHBUDKAGAKXFGA-UHFFFAOYSA-N 1 2 358.829 2.868 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(F)c[nH]2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087662111 968523080 /nfs/dbraw/zinc/52/30/80/968523080.db2.gz SUOCNRHXVCZWEW-FUHWJXTLSA-N 1 2 358.392 2.947 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(F)c[nH]2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087662111 968523085 /nfs/dbraw/zinc/52/30/85/968523085.db2.gz SUOCNRHXVCZWEW-FUHWJXTLSA-N 1 2 358.392 2.947 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2c(C)nn(C)c2C)[C@H]1CC ZINC001087678247 968587812 /nfs/dbraw/zinc/58/78/12/968587812.db2.gz AIFWXKNKSLCYPW-UONOGXRCSA-N 1 2 369.307 2.528 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2c(C)nn(C)c2C)[C@H]1CC ZINC001087678247 968587822 /nfs/dbraw/zinc/58/78/22/968587822.db2.gz AIFWXKNKSLCYPW-UONOGXRCSA-N 1 2 369.307 2.528 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)Cc2cnoc2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087697931 968646555 /nfs/dbraw/zinc/64/65/55/968646555.db2.gz YQBRNWSAAFOJCB-RBUKOAKNSA-N 1 2 371.868 2.891 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)Cc2cnoc2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087697931 968646558 /nfs/dbraw/zinc/64/65/58/968646558.db2.gz YQBRNWSAAFOJCB-RBUKOAKNSA-N 1 2 371.868 2.891 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cn(C(C)(C)C)nn3)[C@@H]2CC)C1 ZINC001087718378 968716177 /nfs/dbraw/zinc/71/61/77/968716177.db2.gz LMBYVJUAEDZGKD-DLBZAZTESA-N 1 2 359.518 2.859 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C(C)(C)C)nn3)[C@@H]2CC)C1 ZINC001087718378 968716182 /nfs/dbraw/zinc/71/61/82/968716182.db2.gz LMBYVJUAEDZGKD-DLBZAZTESA-N 1 2 359.518 2.859 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cc2C)[C@H]1CC ZINC001087720380 968726170 /nfs/dbraw/zinc/72/61/70/968726170.db2.gz QZQGHUJZXLOIGD-UONOGXRCSA-N 1 2 368.275 2.587 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cc2C)[C@H]1CC ZINC001087720380 968726176 /nfs/dbraw/zinc/72/61/76/968726176.db2.gz QZQGHUJZXLOIGD-UONOGXRCSA-N 1 2 368.275 2.587 20 30 FFEDLO C[C@@H](Nc1nc2c(c(C#N)c1C#N)CCCCCC2)[C@H]1CN(C)CC[N@@H+]1C ZINC000895246175 968758520 /nfs/dbraw/zinc/75/85/20/968758520.db2.gz MMJGWBOJDUOLFL-FOIQADDNSA-N 1 2 366.513 2.530 20 30 FFEDLO C[C@@H](Nc1nc2c(c(C#N)c1C#N)CCCCCC2)[C@H]1CN(C)CC[N@H+]1C ZINC000895246175 968758524 /nfs/dbraw/zinc/75/85/24/968758524.db2.gz MMJGWBOJDUOLFL-FOIQADDNSA-N 1 2 366.513 2.530 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ncc(CC)o1 ZINC001024707361 969267942 /nfs/dbraw/zinc/26/79/42/969267942.db2.gz LVNZQNFAIZBLMK-AYBZRNKSSA-N 1 2 361.486 2.689 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ncc(CC)o1 ZINC001024707361 969267951 /nfs/dbraw/zinc/26/79/51/969267951.db2.gz LVNZQNFAIZBLMK-AYBZRNKSSA-N 1 2 361.486 2.689 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3csc(C)n3)[C@@H]2CC)nc1 ZINC001087802504 970303211 /nfs/dbraw/zinc/30/32/11/970303211.db2.gz UHPFOTRMMNUIIX-FUHWJXTLSA-N 1 2 354.479 2.611 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3csc(C)n3)[C@@H]2CC)nc1 ZINC001087802504 970303222 /nfs/dbraw/zinc/30/32/22/970303222.db2.gz UHPFOTRMMNUIIX-FUHWJXTLSA-N 1 2 354.479 2.611 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000875918580 1014095570 /nfs/dbraw/zinc/09/55/70/1014095570.db2.gz TZWQNYKMDUYJOI-YZGWKJHDSA-N 1 2 366.465 2.839 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001059512190 973423290 /nfs/dbraw/zinc/42/32/90/973423290.db2.gz ZVIPIVXAGVIXOD-TZOQOTQKSA-N 1 2 370.497 2.609 20 30 FFEDLO O=C(c1ccns1)N1CC[C@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001075845963 973659169 /nfs/dbraw/zinc/65/91/69/973659169.db2.gz UAOZEQLLIXAZDZ-DOTOQJQBSA-N 1 2 371.893 2.995 20 30 FFEDLO O=C(c1ccns1)N1CC[C@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001075845963 973659173 /nfs/dbraw/zinc/65/91/73/973659173.db2.gz UAOZEQLLIXAZDZ-DOTOQJQBSA-N 1 2 371.893 2.995 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@](C)(C(F)F)C2)c(OC)c1 ZINC000662373898 975462049 /nfs/dbraw/zinc/46/20/49/975462049.db2.gz KUKFIZBQGBGZCY-DNVCBOLYSA-N 1 2 371.424 2.519 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@](C)(C(F)F)C2)c(OC)c1 ZINC000662373898 975462056 /nfs/dbraw/zinc/46/20/56/975462056.db2.gz KUKFIZBQGBGZCY-DNVCBOLYSA-N 1 2 371.424 2.519 20 30 FFEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(C#N)c(Cl)n1 ZINC001126269016 975777880 /nfs/dbraw/zinc/77/78/80/975777880.db2.gz NVNSFUJKRJMAGN-UHFFFAOYSA-N 1 2 370.840 3.000 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088760530 975967080 /nfs/dbraw/zinc/96/70/80/975967080.db2.gz IMUUWRXZWMLWDI-YFMMTPMMSA-N 1 2 371.456 2.591 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088760530 975967089 /nfs/dbraw/zinc/96/70/89/975967089.db2.gz IMUUWRXZWMLWDI-YFMMTPMMSA-N 1 2 371.456 2.591 20 30 FFEDLO C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2snnc2CC)C1 ZINC001087432041 976047867 /nfs/dbraw/zinc/04/78/67/976047867.db2.gz WKWBQMUQRAKVNI-NVXWUHKLSA-N 1 2 356.495 2.874 20 30 FFEDLO C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2snnc2CC)C1 ZINC001087432041 976047878 /nfs/dbraw/zinc/04/78/78/976047878.db2.gz WKWBQMUQRAKVNI-NVXWUHKLSA-N 1 2 356.495 2.874 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C(C)(C)C3CC3)[C@H]2C)c1 ZINC001088806483 976490108 /nfs/dbraw/zinc/49/01/08/976490108.db2.gz KIJGDHXNLSITBK-BEFAXECRSA-N 1 2 367.493 2.622 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C(C)(C)C3CC3)[C@H]2C)c1 ZINC001088806483 976490113 /nfs/dbraw/zinc/49/01/13/976490113.db2.gz KIJGDHXNLSITBK-BEFAXECRSA-N 1 2 367.493 2.622 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(C(C)(C)C)on1 ZINC001028142841 976869852 /nfs/dbraw/zinc/86/98/52/976869852.db2.gz RHAYGVJBAYDVIG-ZACQAIPSSA-N 1 2 361.486 2.644 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(C(C)(C)C)on1 ZINC001028142841 976869859 /nfs/dbraw/zinc/86/98/59/976869859.db2.gz RHAYGVJBAYDVIG-ZACQAIPSSA-N 1 2 361.486 2.644 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2C2CC2)[C@H]1C ZINC001088822023 977145870 /nfs/dbraw/zinc/14/58/70/977145870.db2.gz YISHDBCCBLTXHY-RISCZKNCSA-N 1 2 352.276 2.993 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c2C2CC2)[C@H]1C ZINC001088822023 977145878 /nfs/dbraw/zinc/14/58/78/977145878.db2.gz YISHDBCCBLTXHY-RISCZKNCSA-N 1 2 352.276 2.993 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2coc(CC)n2)C1 ZINC001087454876 977770302 /nfs/dbraw/zinc/77/03/02/977770302.db2.gz OJMDZKOJMCXIMX-IAGOWNOFSA-N 1 2 355.413 2.597 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2coc(CC)n2)C1 ZINC001087454876 977770312 /nfs/dbraw/zinc/77/03/12/977770312.db2.gz OJMDZKOJMCXIMX-IAGOWNOFSA-N 1 2 355.413 2.597 20 30 FFEDLO Cc1ccccc1[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000126287456 978108043 /nfs/dbraw/zinc/10/80/43/978108043.db2.gz PZNOGKBIODUAPU-RXVVDRJESA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000126287456 978108048 /nfs/dbraw/zinc/10/80/48/978108048.db2.gz PZNOGKBIODUAPU-RXVVDRJESA-N 1 2 352.434 2.680 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001087463027 978131733 /nfs/dbraw/zinc/13/17/33/978131733.db2.gz MXMXWHHQUMTCJJ-IAGOWNOFSA-N 1 2 357.454 2.812 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001087463027 978131739 /nfs/dbraw/zinc/13/17/39/978131739.db2.gz MXMXWHHQUMTCJJ-IAGOWNOFSA-N 1 2 357.454 2.812 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ccoc3)[C@@H]2C1 ZINC001075671327 978225762 /nfs/dbraw/zinc/22/57/62/978225762.db2.gz DDORQQROESHYLC-LSDHHAIUSA-N 1 2 353.260 2.654 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3ccoc3)[C@@H]2C1 ZINC001075671327 978225768 /nfs/dbraw/zinc/22/57/68/978225768.db2.gz DDORQQROESHYLC-LSDHHAIUSA-N 1 2 353.260 2.654 20 30 FFEDLO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCN(CCCc3ccccc3)C2=O)c1 ZINC000877080783 1014470637 /nfs/dbraw/zinc/47/06/37/1014470637.db2.gz UKBNMSMQMCQCMW-GOSISDBHSA-N 1 2 368.868 2.930 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2coc(CC)n2)C1 ZINC001087464592 978266999 /nfs/dbraw/zinc/26/69/99/978266999.db2.gz RPUICHOVPXCICO-IAGOWNOFSA-N 1 2 355.413 2.597 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2coc(CC)n2)C1 ZINC001087464592 978267004 /nfs/dbraw/zinc/26/70/04/978267004.db2.gz RPUICHOVPXCICO-IAGOWNOFSA-N 1 2 355.413 2.597 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(F)c(COC)c3)[C@@H]2C1 ZINC001076224116 979244157 /nfs/dbraw/zinc/24/41/57/979244157.db2.gz DWEICRPAFFWEBW-WMLDXEAASA-N 1 2 352.837 2.871 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(F)c(COC)c3)[C@@H]2C1 ZINC001076224116 979244163 /nfs/dbraw/zinc/24/41/63/979244163.db2.gz DWEICRPAFFWEBW-WMLDXEAASA-N 1 2 352.837 2.871 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4ccccc4)n3)[C@@H]2C1 ZINC001076300105 979350474 /nfs/dbraw/zinc/35/04/74/979350474.db2.gz XURNCUOSOHVVNP-DOTOQJQBSA-N 1 2 356.857 2.976 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4ccccc4)n3)[C@@H]2C1 ZINC001076300105 979350485 /nfs/dbraw/zinc/35/04/85/979350485.db2.gz XURNCUOSOHVVNP-DOTOQJQBSA-N 1 2 356.857 2.976 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(C(C)C)n3)[C@@H]2C1 ZINC001076312547 979364233 /nfs/dbraw/zinc/36/42/33/979364233.db2.gz USLCGSZZLTYISE-DZGCQCFKSA-N 1 2 367.291 2.519 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(C(C)C)n3)[C@@H]2C1 ZINC001076312547 979364240 /nfs/dbraw/zinc/36/42/40/979364240.db2.gz USLCGSZZLTYISE-DZGCQCFKSA-N 1 2 367.291 2.519 20 30 FFEDLO CCCCC[C@H](C)NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258099 979380414 /nfs/dbraw/zinc/38/04/14/979380414.db2.gz YQUIERHUFHLWRY-SFHVURJKSA-N 1 2 356.514 2.761 20 30 FFEDLO O=C(c1nccs1)N1CC[C@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001076391948 979449526 /nfs/dbraw/zinc/44/95/26/979449526.db2.gz ACWLGEBXCLYYHW-DOTOQJQBSA-N 1 2 371.893 2.995 20 30 FFEDLO O=C(c1nccs1)N1CC[C@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001076391948 979449531 /nfs/dbraw/zinc/44/95/31/979449531.db2.gz ACWLGEBXCLYYHW-DOTOQJQBSA-N 1 2 371.893 2.995 20 30 FFEDLO COc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)o1 ZINC001076393381 979450898 /nfs/dbraw/zinc/45/08/98/979450898.db2.gz CNEALCRNBVZHMC-DLBZAZTESA-N 1 2 351.406 2.506 20 30 FFEDLO COc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)o1 ZINC001076393381 979450901 /nfs/dbraw/zinc/45/09/01/979450901.db2.gz CNEALCRNBVZHMC-DLBZAZTESA-N 1 2 351.406 2.506 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c(s3)CCOC4)[C@@H]2C1 ZINC001076473615 979552389 /nfs/dbraw/zinc/55/23/89/979552389.db2.gz GCWVBIIGOAWNBN-GXTWGEPZSA-N 1 2 352.887 2.720 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c(s3)CCOC4)[C@@H]2C1 ZINC001076473615 979552393 /nfs/dbraw/zinc/55/23/93/979552393.db2.gz GCWVBIIGOAWNBN-GXTWGEPZSA-N 1 2 352.887 2.720 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)c3ccsc3)[C@H]2C)c1 ZINC001088459490 979697541 /nfs/dbraw/zinc/69/75/41/979697541.db2.gz SMIOMTGPKQIECM-KDOFPFPSSA-N 1 2 367.474 2.561 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)c3ccsc3)[C@H]2C)c1 ZINC001088459490 979697545 /nfs/dbraw/zinc/69/75/45/979697545.db2.gz SMIOMTGPKQIECM-KDOFPFPSSA-N 1 2 367.474 2.561 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)o1 ZINC001088506755 980220083 /nfs/dbraw/zinc/22/00/83/980220083.db2.gz KMCCKTYKYKUHSS-PXAZEXFGSA-N 1 2 356.401 2.695 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)o1 ZINC001088506755 980220088 /nfs/dbraw/zinc/22/00/88/980220088.db2.gz KMCCKTYKYKUHSS-PXAZEXFGSA-N 1 2 356.401 2.695 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2Cl)C[C@H]1OC ZINC001211999469 981433959 /nfs/dbraw/zinc/43/39/59/981433959.db2.gz MMNJQBKOJDMHFH-NVXWUHKLSA-N 1 2 370.852 2.640 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2Cl)C[C@H]1OC ZINC001211999469 981433963 /nfs/dbraw/zinc/43/39/63/981433963.db2.gz MMNJQBKOJDMHFH-NVXWUHKLSA-N 1 2 370.852 2.640 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)/C=C\C(C)(C)C ZINC001212047296 981475649 /nfs/dbraw/zinc/47/56/49/981475649.db2.gz GVKCPOIRQQGQQG-BTFXCVNISA-N 1 2 359.445 2.615 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)/C=C\C(C)(C)C ZINC001212047296 981475651 /nfs/dbraw/zinc/47/56/51/981475651.db2.gz GVKCPOIRQQGQQG-BTFXCVNISA-N 1 2 359.445 2.615 20 30 FFEDLO C=C(C)Cn1c(COCC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000909244389 981655742 /nfs/dbraw/zinc/65/57/42/981655742.db2.gz RFVHEWPKSPPRJN-UHFFFAOYSA-N 1 2 356.474 2.867 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@H+](Cc3ccc(-n4cncn4)c(F)c3)CCO2)cc1 ZINC000897592634 982362318 /nfs/dbraw/zinc/36/23/18/982362318.db2.gz YSZFJOCIUSAIOJ-HXUWFJFHSA-N 1 2 363.396 2.852 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@@H+](Cc3ccc(-n4cncn4)c(F)c3)CCO2)cc1 ZINC000897592634 982362326 /nfs/dbraw/zinc/36/23/26/982362326.db2.gz YSZFJOCIUSAIOJ-HXUWFJFHSA-N 1 2 363.396 2.852 20 30 FFEDLO C=CC[C@@H]1CCCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1 ZINC000912390259 984026469 /nfs/dbraw/zinc/02/64/69/984026469.db2.gz YMUVGFVXUZGVGQ-APWZRJJASA-N 1 2 372.513 2.832 20 30 FFEDLO C=CC[C@@H]1CCCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1 ZINC000912390259 984026479 /nfs/dbraw/zinc/02/64/79/984026479.db2.gz YMUVGFVXUZGVGQ-APWZRJJASA-N 1 2 372.513 2.832 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913461168 984270192 /nfs/dbraw/zinc/27/01/92/984270192.db2.gz ULABGAHPXWRSAL-INIZCTEOSA-N 1 2 365.462 2.602 20 30 FFEDLO C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncc(Cl)s1)CC2 ZINC001107335918 984460212 /nfs/dbraw/zinc/46/02/12/984460212.db2.gz FPSDZVNFJHYDBC-HWWQOWPSSA-N 1 2 352.891 2.817 20 30 FFEDLO C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncc(Cl)s1)CC2 ZINC001107335918 984460213 /nfs/dbraw/zinc/46/02/13/984460213.db2.gz FPSDZVNFJHYDBC-HWWQOWPSSA-N 1 2 352.891 2.817 20 30 FFEDLO CC(C)(C)c1noc(C[N@@H+]2CC[C@@]3(CNC(=O)C#CC4CC4)CCC[C@@H]23)n1 ZINC001107398405 984506376 /nfs/dbraw/zinc/50/63/76/984506376.db2.gz SVVVCAHEUILKOQ-IIBYNOLFSA-N 1 2 370.497 2.641 20 30 FFEDLO CC(C)(C)c1noc(C[N@H+]2CC[C@@]3(CNC(=O)C#CC4CC4)CCC[C@@H]23)n1 ZINC001107398405 984506381 /nfs/dbraw/zinc/50/63/81/984506381.db2.gz SVVVCAHEUILKOQ-IIBYNOLFSA-N 1 2 370.497 2.641 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC/C=C/CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001107545752 984664733 /nfs/dbraw/zinc/66/47/33/984664733.db2.gz MCJVGURUNUOYON-RTQGNFRKSA-N 1 2 358.486 2.974 20 30 FFEDLO Cc1nsc(NC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1C#N ZINC001060319488 984687589 /nfs/dbraw/zinc/68/75/89/984687589.db2.gz XDAYQEPGOXWKMN-MGPQQGTHSA-N 1 2 370.482 2.643 20 30 FFEDLO Cc1nsc(NC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1C#N ZINC001060319488 984687593 /nfs/dbraw/zinc/68/75/93/984687593.db2.gz XDAYQEPGOXWKMN-MGPQQGTHSA-N 1 2 370.482 2.643 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3nc4ccccc4o3)C[C@H]2O)CC1 ZINC001077622529 984709519 /nfs/dbraw/zinc/70/95/19/984709519.db2.gz ORMXZZPGQHAQLJ-ZTFGCOKTSA-N 1 2 369.465 2.797 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3nc4ccccc4o3)C[C@H]2O)CC1 ZINC001077622529 984709525 /nfs/dbraw/zinc/70/95/25/984709525.db2.gz ORMXZZPGQHAQLJ-ZTFGCOKTSA-N 1 2 369.465 2.797 20 30 FFEDLO Cc1ccc(-c2nnc(CO[NH+]=C(N)c3ccc4c(c3)CCO4)o2)cc1 ZINC000158200343 984793112 /nfs/dbraw/zinc/79/31/12/984793112.db2.gz LALBSGQJWGHBAR-UHFFFAOYSA-N 1 2 350.378 2.817 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2conc2C2CC2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088849703 985002531 /nfs/dbraw/zinc/00/25/31/985002531.db2.gz DSOWBGDEVIAKMN-XIKOKIGWSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2conc2C2CC2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088849703 985002543 /nfs/dbraw/zinc/00/25/43/985002543.db2.gz DSOWBGDEVIAKMN-XIKOKIGWSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ocnc2C2CC2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088856592 985041099 /nfs/dbraw/zinc/04/10/99/985041099.db2.gz XBFBGDKYZGZZHA-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ocnc2C2CC2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088856592 985041107 /nfs/dbraw/zinc/04/11/07/985041107.db2.gz XBFBGDKYZGZZHA-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[NH+]1CCN(c2cnccc2C)CC1)c1ccccc1 ZINC000878550720 1015097655 /nfs/dbraw/zinc/09/76/55/1015097655.db2.gz BRUASARBEKSVPR-QFIPXVFZSA-N 1 2 362.477 2.953 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001088867237 985152809 /nfs/dbraw/zinc/15/28/09/985152809.db2.gz LLJJYTPCKVHEGH-LTDCPUDJSA-N 1 2 360.885 2.696 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001088867237 985152812 /nfs/dbraw/zinc/15/28/12/985152812.db2.gz LLJJYTPCKVHEGH-LTDCPUDJSA-N 1 2 360.885 2.696 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088876716 985263006 /nfs/dbraw/zinc/26/30/06/985263006.db2.gz CCVKHUOQWTUQEX-PXAZEXFGSA-N 1 2 367.428 2.691 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088876716 985263016 /nfs/dbraw/zinc/26/30/16/985263016.db2.gz CCVKHUOQWTUQEX-PXAZEXFGSA-N 1 2 367.428 2.691 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088876779 985263280 /nfs/dbraw/zinc/26/32/80/985263280.db2.gz GUWGLGNERPKMIK-PXAZEXFGSA-N 1 2 367.428 2.691 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088876779 985263291 /nfs/dbraw/zinc/26/32/91/985263291.db2.gz GUWGLGNERPKMIK-PXAZEXFGSA-N 1 2 367.428 2.691 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]nc(C(F)(F)F)c2C)[C@H]1C ZINC001088897590 985364378 /nfs/dbraw/zinc/36/43/78/985364378.db2.gz OXFDBTBKCDOOJA-ZJUUUORDSA-N 1 2 350.772 2.682 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(C(F)(F)F)c2C)[C@H]1C ZINC001088897590 985364389 /nfs/dbraw/zinc/36/43/89/985364389.db2.gz OXFDBTBKCDOOJA-ZJUUUORDSA-N 1 2 350.772 2.682 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)[C@@H]1C ZINC001088910794 985429952 /nfs/dbraw/zinc/42/99/52/985429952.db2.gz HWJOSXWZCBFUEC-GTAWCEEGSA-N 1 2 374.529 2.914 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccn(C(C)C)n2)[C@@H]1C ZINC001088910794 985429955 /nfs/dbraw/zinc/42/99/55/985429955.db2.gz HWJOSXWZCBFUEC-GTAWCEEGSA-N 1 2 374.529 2.914 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3c2OCCCO3)[C@H]1C ZINC001088940702 985531945 /nfs/dbraw/zinc/53/19/45/985531945.db2.gz KPCLRVUAHZYIRE-HIFRSBDPSA-N 1 2 350.846 2.793 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3c2OCCCO3)[C@H]1C ZINC001088940702 985531954 /nfs/dbraw/zinc/53/19/54/985531954.db2.gz KPCLRVUAHZYIRE-HIFRSBDPSA-N 1 2 350.846 2.793 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(OC)c(C)c(OC)c2)[C@H]1C ZINC001089024806 985985383 /nfs/dbraw/zinc/98/53/83/985985383.db2.gz XJQVKGJVEDWJAC-HIFRSBDPSA-N 1 2 352.862 2.957 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(OC)c(C)c(OC)c2)[C@H]1C ZINC001089024806 985985400 /nfs/dbraw/zinc/98/54/00/985985400.db2.gz XJQVKGJVEDWJAC-HIFRSBDPSA-N 1 2 352.862 2.957 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001089031877 986020687 /nfs/dbraw/zinc/02/06/87/986020687.db2.gz IFPXUTKGTQAFBT-DYVFJYSZSA-N 1 2 370.428 2.949 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001089031877 986020704 /nfs/dbraw/zinc/02/07/04/986020704.db2.gz IFPXUTKGTQAFBT-DYVFJYSZSA-N 1 2 370.428 2.949 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3[nH+]ccn31)C2 ZINC000998316682 986059229 /nfs/dbraw/zinc/05/92/29/986059229.db2.gz QJEXNFVKCWAFTG-FAPUVCABSA-N 1 2 366.465 2.798 20 30 FFEDLO CC[C@H](CC(F)F)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212401380 986119011 /nfs/dbraw/zinc/11/90/11/986119011.db2.gz NWSYSNCKVCPUAL-KZNAEPCWSA-N 1 2 364.436 2.535 20 30 FFEDLO CC[C@H](CC(F)F)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212401380 986119016 /nfs/dbraw/zinc/11/90/16/986119016.db2.gz NWSYSNCKVCPUAL-KZNAEPCWSA-N 1 2 364.436 2.535 20 30 FFEDLO CC[C@H](CC(F)F)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212401510 986119092 /nfs/dbraw/zinc/11/90/92/986119092.db2.gz SWPABKRHDQMZAZ-KBRIMQKVSA-N 1 2 365.424 2.555 20 30 FFEDLO CC[C@H](CC(F)F)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212401510 986119096 /nfs/dbraw/zinc/11/90/96/986119096.db2.gz SWPABKRHDQMZAZ-KBRIMQKVSA-N 1 2 365.424 2.555 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC001007360707 1015194922 /nfs/dbraw/zinc/19/49/22/1015194922.db2.gz TVKGPRWSLNRVRH-JZXOWHBKSA-N 1 2 369.465 2.890 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC001007360707 1015194931 /nfs/dbraw/zinc/19/49/31/1015194931.db2.gz TVKGPRWSLNRVRH-JZXOWHBKSA-N 1 2 369.465 2.890 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1OC1CC1 ZINC001032638429 986193401 /nfs/dbraw/zinc/19/34/01/986193401.db2.gz YEGQNAJSICXIDT-XEYPJELSSA-N 1 2 368.477 2.604 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1OC1CC1 ZINC001032638429 986193408 /nfs/dbraw/zinc/19/34/08/986193408.db2.gz YEGQNAJSICXIDT-XEYPJELSSA-N 1 2 368.477 2.604 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(N(CC)CC)nc2)[C@H]1C ZINC001089073283 986213185 /nfs/dbraw/zinc/21/31/85/986213185.db2.gz VODKTKCQEHPZQI-ZBFHGGJFSA-N 1 2 350.894 2.873 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N(CC)CC)nc2)[C@H]1C ZINC001089073283 986213193 /nfs/dbraw/zinc/21/31/93/986213193.db2.gz VODKTKCQEHPZQI-ZBFHGGJFSA-N 1 2 350.894 2.873 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000964987852 1015212811 /nfs/dbraw/zinc/21/28/11/1015212811.db2.gz UYIPTKJGYIMWBS-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000964987852 1015212814 /nfs/dbraw/zinc/21/28/14/1015212814.db2.gz UYIPTKJGYIMWBS-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000730257104 986453417 /nfs/dbraw/zinc/45/34/17/986453417.db2.gz FTSSHNHOTBKBMN-QGZVFWFLSA-N 1 2 367.453 2.978 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000730257104 986453424 /nfs/dbraw/zinc/45/34/24/986453424.db2.gz FTSSHNHOTBKBMN-QGZVFWFLSA-N 1 2 367.453 2.978 20 30 FFEDLO Cc1ncsc1C[NH+]1CC2(CN(C(=O)[C@@H](C#N)Cc3cccs3)C2)C1 ZINC001272450672 986746432 /nfs/dbraw/zinc/74/64/32/986746432.db2.gz WETNHXMOZNLMBU-CQSZACIVSA-N 1 2 372.519 2.540 20 30 FFEDLO CC(C)c1cccc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)c1 ZINC001077944708 986776230 /nfs/dbraw/zinc/77/62/30/986776230.db2.gz CEBJBQGZBLZCOE-FGZHOGPDSA-N 1 2 362.473 2.637 20 30 FFEDLO CC(C)c1cccc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)c1 ZINC001077944708 986776238 /nfs/dbraw/zinc/77/62/38/986776238.db2.gz CEBJBQGZBLZCOE-FGZHOGPDSA-N 1 2 362.473 2.637 20 30 FFEDLO CC1(C)CCCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001078288136 987122397 /nfs/dbraw/zinc/12/23/97/987122397.db2.gz PFVQJZWHEVJESK-VAMGGRTRSA-N 1 2 369.509 2.826 20 30 FFEDLO CC1(C)CCCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001078288136 987122401 /nfs/dbraw/zinc/12/24/01/987122401.db2.gz PFVQJZWHEVJESK-VAMGGRTRSA-N 1 2 369.509 2.826 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001060992924 987170223 /nfs/dbraw/zinc/17/02/23/987170223.db2.gz FSUFFCDNLSDCKE-OIISXLGYSA-N 1 2 356.470 2.514 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001061007543 987201963 /nfs/dbraw/zinc/20/19/63/987201963.db2.gz DXLAVYFYIWKATE-JQHSSLGASA-N 1 2 370.497 2.904 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](Cc2ccc3ncccc3c2)C1 ZINC001031088042 987606584 /nfs/dbraw/zinc/60/65/84/987606584.db2.gz HSYHCOPXBUCAIV-ICSRJNTNSA-N 1 2 351.450 2.516 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC001003650450 988192040 /nfs/dbraw/zinc/19/20/40/988192040.db2.gz UXMKMQINVNGWQQ-SJORKVTESA-N 1 2 371.437 2.606 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001003786784 988300059 /nfs/dbraw/zinc/30/00/59/988300059.db2.gz BJSHOFRXCTXIMW-LPHOPBHVSA-N 1 2 361.486 2.860 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)c(F)c1 ZINC001007912611 1015419300 /nfs/dbraw/zinc/41/93/00/1015419300.db2.gz MATKRDBDRNVSOB-QFUCXCTJSA-N 1 2 371.456 2.737 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)c(F)c1 ZINC001007912611 1015419306 /nfs/dbraw/zinc/41/93/06/1015419306.db2.gz MATKRDBDRNVSOB-QFUCXCTJSA-N 1 2 371.456 2.737 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)COc3ccc(F)c(F)c3)CC2)cc1 ZINC000915667982 988847174 /nfs/dbraw/zinc/84/71/74/988847174.db2.gz ZVBCXEYIXONORL-UHFFFAOYSA-N 1 2 371.387 2.560 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033161402 989136198 /nfs/dbraw/zinc/13/61/98/989136198.db2.gz RAMNFUWBGWQNIG-SUMDDJOVSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033161402 989136203 /nfs/dbraw/zinc/13/62/03/989136203.db2.gz RAMNFUWBGWQNIG-SUMDDJOVSA-N 1 2 359.445 2.545 20 30 FFEDLO C=CCCC(=O)NCc1ccc([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001060581731 989171184 /nfs/dbraw/zinc/17/11/84/989171184.db2.gz SVASACKLPBDLRZ-ZTFGCOKTSA-N 1 2 366.465 2.973 20 30 FFEDLO C=CCCC(=O)NCc1ccc([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001060581731 989171188 /nfs/dbraw/zinc/17/11/88/989171188.db2.gz SVASACKLPBDLRZ-ZTFGCOKTSA-N 1 2 366.465 2.973 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008009535 1015459414 /nfs/dbraw/zinc/45/94/14/1015459414.db2.gz NQBRKEMHLWYOFD-LMMKCTJWSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008009535 1015459421 /nfs/dbraw/zinc/45/94/21/1015459421.db2.gz NQBRKEMHLWYOFD-LMMKCTJWSA-N 1 2 359.445 2.593 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000132812198 989325058 /nfs/dbraw/zinc/32/50/58/989325058.db2.gz DTRXHWCWOFINDR-WOJBJXKFSA-N 1 2 357.404 2.881 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033440450 989590584 /nfs/dbraw/zinc/59/05/84/989590584.db2.gz PSALMQDPGXHCKQ-MLYOOKFZSA-N 1 2 372.896 2.792 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033440450 989590589 /nfs/dbraw/zinc/59/05/89/989590589.db2.gz PSALMQDPGXHCKQ-MLYOOKFZSA-N 1 2 372.896 2.792 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000674202544 989600529 /nfs/dbraw/zinc/60/05/29/989600529.db2.gz BTYQDHQMVGSVHI-QGZVFWFLSA-N 1 2 368.437 2.640 20 30 FFEDLO C[C@H](C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000785473068 989669555 /nfs/dbraw/zinc/66/95/55/989669555.db2.gz CTUPHUSXGRIVKI-AEFFLSMTSA-N 1 2 358.486 2.782 20 30 FFEDLO C[C@@H]1CN(c2ccccc2C=[NH+]NC(=S)NCc2ccccc2)CCO1 ZINC000915943133 989716462 /nfs/dbraw/zinc/71/64/62/989716462.db2.gz TZYFVPQHWVIMQI-MRXNPFEDSA-N 1 2 368.506 2.910 20 30 FFEDLO N#CC1CCC(Cn2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)CC1 ZINC000917022994 990094763 /nfs/dbraw/zinc/09/47/63/990094763.db2.gz CIQVWAYSJLHUMS-NKELODKYSA-N 1 2 366.469 2.577 20 30 FFEDLO N#CC1CCC(Cn2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)CC1 ZINC000917022994 990094773 /nfs/dbraw/zinc/09/47/73/990094773.db2.gz CIQVWAYSJLHUMS-NKELODKYSA-N 1 2 366.469 2.577 20 30 FFEDLO CC/C(C)=C\C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001212221340 990119479 /nfs/dbraw/zinc/11/94/79/990119479.db2.gz SBOONESLNCDOKA-QOZZVNKNSA-N 1 2 360.885 2.863 20 30 FFEDLO CC/C(C)=C\C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001212221340 990119485 /nfs/dbraw/zinc/11/94/85/990119485.db2.gz SBOONESLNCDOKA-QOZZVNKNSA-N 1 2 360.885 2.863 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000918188334 990352690 /nfs/dbraw/zinc/35/26/90/990352690.db2.gz IOHLJDCOJUBVNB-LBPRGKRZSA-N 1 2 370.840 2.770 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000918188334 990352697 /nfs/dbraw/zinc/35/26/97/990352697.db2.gz IOHLJDCOJUBVNB-LBPRGKRZSA-N 1 2 370.840 2.770 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879497889 1015562515 /nfs/dbraw/zinc/56/25/15/1015562515.db2.gz JGRRSGYIANPBFP-FUHWJXTLSA-N 1 2 367.497 2.597 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879497889 1015562524 /nfs/dbraw/zinc/56/25/24/1015562524.db2.gz JGRRSGYIANPBFP-FUHWJXTLSA-N 1 2 367.497 2.597 20 30 FFEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC001035549635 990503223 /nfs/dbraw/zinc/50/32/23/990503223.db2.gz QXLXKMANWCJSPI-JRGCBEDISA-N 1 2 350.462 2.946 20 30 FFEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC001035549635 990503232 /nfs/dbraw/zinc/50/32/32/990503232.db2.gz QXLXKMANWCJSPI-JRGCBEDISA-N 1 2 350.462 2.946 20 30 FFEDLO C#CCCCCCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001062263038 990694910 /nfs/dbraw/zinc/69/49/10/990694910.db2.gz UWHJWOQZPXVKLA-KZNAEPCWSA-N 1 2 370.497 2.594 20 30 FFEDLO C#CCCCCCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001062263038 990694914 /nfs/dbraw/zinc/69/49/14/990694914.db2.gz UWHJWOQZPXVKLA-KZNAEPCWSA-N 1 2 370.497 2.594 20 30 FFEDLO Cc1cc(CNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc(C)[nH+]1 ZINC000922927736 990747501 /nfs/dbraw/zinc/74/75/01/990747501.db2.gz VFSFTIFGTLMYLV-SFHVURJKSA-N 1 2 364.453 2.751 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC(C)(C)O1 ZINC000920866596 990928577 /nfs/dbraw/zinc/92/85/77/990928577.db2.gz RBHXOWMSHPJAKG-HIFRSBDPSA-N 1 2 350.422 2.723 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC(C)(C)O1 ZINC000920866596 990928583 /nfs/dbraw/zinc/92/85/83/990928583.db2.gz RBHXOWMSHPJAKG-HIFRSBDPSA-N 1 2 350.422 2.723 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001006023868 991025715 /nfs/dbraw/zinc/02/57/15/991025715.db2.gz ZFDOQOPVPXYZBR-MSOLQXFVSA-N 1 2 359.470 2.566 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C(F)(F)F)C[C@@H]2O)C1 ZINC001083763755 991198083 /nfs/dbraw/zinc/19/80/83/991198083.db2.gz ZUQNSFCYWZSOJK-CVEARBPZSA-N 1 2 368.399 2.723 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C(F)(F)F)C[C@@H]2O)C1 ZINC001083763755 991198088 /nfs/dbraw/zinc/19/80/88/991198088.db2.gz ZUQNSFCYWZSOJK-CVEARBPZSA-N 1 2 368.399 2.723 20 30 FFEDLO NC(Cc1cccnc1)=[NH+]OCc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000179924636 991379526 /nfs/dbraw/zinc/37/95/26/991379526.db2.gz WDMDMKOMUCUFAS-UHFFFAOYSA-N 1 2 363.299 2.580 20 30 FFEDLO CC(C)c1cccc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)c1 ZINC001083916978 991709515 /nfs/dbraw/zinc/70/95/15/991709515.db2.gz CEBJBQGZBLZCOE-YADHBBJMSA-N 1 2 362.473 2.637 20 30 FFEDLO CC(C)c1cccc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)c1 ZINC001083916978 991709522 /nfs/dbraw/zinc/70/95/22/991709522.db2.gz CEBJBQGZBLZCOE-YADHBBJMSA-N 1 2 362.473 2.637 20 30 FFEDLO COc1ccc([C@@H]2COCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)cc1 ZINC000879736044 1015659225 /nfs/dbraw/zinc/65/92/25/1015659225.db2.gz IAFSQGBPXVZUQC-FQEVSTJZSA-N 1 2 365.433 2.969 20 30 FFEDLO COc1ccc([C@@H]2COCC[N@H+]2CCC(=O)Nc2ccccc2C#N)cc1 ZINC000879736044 1015659229 /nfs/dbraw/zinc/65/92/29/1015659229.db2.gz IAFSQGBPXVZUQC-FQEVSTJZSA-N 1 2 365.433 2.969 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2occc2CC)C1 ZINC001079142624 991792542 /nfs/dbraw/zinc/79/25/42/991792542.db2.gz LJZDSBOXUDWXPE-WOJBJXKFSA-N 1 2 366.461 2.553 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2occc2CC)C1 ZINC001079142624 991792553 /nfs/dbraw/zinc/79/25/53/991792553.db2.gz LJZDSBOXUDWXPE-WOJBJXKFSA-N 1 2 366.461 2.553 20 30 FFEDLO CCn1cc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]2C)cn1 ZINC001079504976 992147982 /nfs/dbraw/zinc/14/79/82/992147982.db2.gz BEPAGPIWSJKCTF-DNVCBOLYSA-N 1 2 370.884 2.658 20 30 FFEDLO CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]2C)cn1 ZINC001079504976 992147986 /nfs/dbraw/zinc/14/79/86/992147986.db2.gz BEPAGPIWSJKCTF-DNVCBOLYSA-N 1 2 370.884 2.658 20 30 FFEDLO COc1cc(C)cnc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001079870003 992512167 /nfs/dbraw/zinc/51/21/67/992512167.db2.gz OBNQAYXAUBHVBA-CRAIPNDOSA-N 1 2 364.449 2.521 20 30 FFEDLO COc1cc(C)cnc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001079870003 992512178 /nfs/dbraw/zinc/51/21/78/992512178.db2.gz OBNQAYXAUBHVBA-CRAIPNDOSA-N 1 2 364.449 2.521 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)o2)C[C@H]1C ZINC001079977776 992638288 /nfs/dbraw/zinc/63/82/88/992638288.db2.gz IXRRBUPAVVWAHY-RHSMWYFYSA-N 1 2 355.438 2.798 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+](Cc2ncc(C)o2)C[C@H]1C ZINC001079977776 992638289 /nfs/dbraw/zinc/63/82/89/992638289.db2.gz IXRRBUPAVVWAHY-RHSMWYFYSA-N 1 2 355.438 2.798 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3nccn3CC)C[C@H]2C)cc1 ZINC001079977994 992639552 /nfs/dbraw/zinc/63/95/52/992639552.db2.gz SFJNOIRZGFJZRR-VQIMIIECSA-N 1 2 368.481 2.718 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3nccn3CC)C[C@H]2C)cc1 ZINC001079977994 992639557 /nfs/dbraw/zinc/63/95/57/992639557.db2.gz SFJNOIRZGFJZRR-VQIMIIECSA-N 1 2 368.481 2.718 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn3cccc(Cl)c23)C1 ZINC001080090342 992724806 /nfs/dbraw/zinc/72/48/06/992724806.db2.gz DTGZCMZHOZIORZ-QMTHXVAHSA-N 1 2 353.253 2.790 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn3cccc(Cl)c23)C1 ZINC001080090342 992724813 /nfs/dbraw/zinc/72/48/13/992724813.db2.gz DTGZCMZHOZIORZ-QMTHXVAHSA-N 1 2 353.253 2.790 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccn(CC(F)(F)F)n3)C[C@H]2C)C1 ZINC001080406538 993034435 /nfs/dbraw/zinc/03/44/35/993034435.db2.gz VDLGTJYDRWAYAK-UKRRQHHQSA-N 1 2 370.419 2.738 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccn(CC(F)(F)F)n3)C[C@H]2C)C1 ZINC001080406538 993034440 /nfs/dbraw/zinc/03/44/40/993034440.db2.gz VDLGTJYDRWAYAK-UKRRQHHQSA-N 1 2 370.419 2.738 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3ccccn3c2)C1 ZINC001080549570 993154921 /nfs/dbraw/zinc/15/49/21/993154921.db2.gz IWNBFDVGKCSQBZ-MLGOLLRUSA-N 1 2 362.271 2.898 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3ccccn3c2)C1 ZINC001080549570 993154925 /nfs/dbraw/zinc/15/49/25/993154925.db2.gz IWNBFDVGKCSQBZ-MLGOLLRUSA-N 1 2 362.271 2.898 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c(F)cccc2NC(C)=O)C1 ZINC001080549959 993156218 /nfs/dbraw/zinc/15/62/18/993156218.db2.gz RYODACCWUHFIJR-MEBBXXQBSA-N 1 2 353.825 2.587 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(F)cccc2NC(C)=O)C1 ZINC001080549959 993156222 /nfs/dbraw/zinc/15/62/22/993156222.db2.gz RYODACCWUHFIJR-MEBBXXQBSA-N 1 2 353.825 2.587 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3[nH]cnc32)C1 ZINC001080655069 993249535 /nfs/dbraw/zinc/24/95/35/993249535.db2.gz XAGDKAQFDIXHDW-QMTHXVAHSA-N 1 2 363.259 2.522 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3[nH]cnc32)C1 ZINC001080655069 993249542 /nfs/dbraw/zinc/24/95/42/993249542.db2.gz XAGDKAQFDIXHDW-QMTHXVAHSA-N 1 2 363.259 2.522 20 30 FFEDLO Cc1[nH]nc(C(C)C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080743162 993321101 /nfs/dbraw/zinc/32/11/01/993321101.db2.gz VQWIQDIEWYNTRV-RDTXWAMCSA-N 1 2 365.481 2.964 20 30 FFEDLO Cc1[nH]nc(C(C)C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080743162 993321103 /nfs/dbraw/zinc/32/11/03/993321103.db2.gz VQWIQDIEWYNTRV-RDTXWAMCSA-N 1 2 365.481 2.964 20 30 FFEDLO Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080743162 993321106 /nfs/dbraw/zinc/32/11/06/993321106.db2.gz VQWIQDIEWYNTRV-RDTXWAMCSA-N 1 2 365.481 2.964 20 30 FFEDLO Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080743162 993321111 /nfs/dbraw/zinc/32/11/11/993321111.db2.gz VQWIQDIEWYNTRV-RDTXWAMCSA-N 1 2 365.481 2.964 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nnc(C)s2)C[C@H]1C ZINC001080851656 993414719 /nfs/dbraw/zinc/41/47/19/993414719.db2.gz UACRHYVXGXOILT-QWQRMKEZSA-N 1 2 368.506 2.568 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nnc(C)s2)C[C@H]1C ZINC001080851656 993414722 /nfs/dbraw/zinc/41/47/22/993414722.db2.gz UACRHYVXGXOILT-QWQRMKEZSA-N 1 2 368.506 2.568 20 30 FFEDLO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001080865677 993424054 /nfs/dbraw/zinc/42/40/54/993424054.db2.gz CLMRJYOUFAWSGD-RDTXWAMCSA-N 1 2 370.884 2.727 20 30 FFEDLO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001080865677 993424058 /nfs/dbraw/zinc/42/40/58/993424058.db2.gz CLMRJYOUFAWSGD-RDTXWAMCSA-N 1 2 370.884 2.727 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C(C)=C1CCCC1 ZINC001081515945 993865865 /nfs/dbraw/zinc/86/58/65/993865865.db2.gz MCRBIPTYPWTODG-NHCUHLMSSA-N 1 2 370.468 2.883 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C(C)=C1CCCC1 ZINC001081515945 993865871 /nfs/dbraw/zinc/86/58/71/993865871.db2.gz MCRBIPTYPWTODG-NHCUHLMSSA-N 1 2 370.468 2.883 20 30 FFEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1)C(C)(C)C ZINC000808314823 994082361 /nfs/dbraw/zinc/08/23/61/994082361.db2.gz JHXRHAPBTKNXML-IBGZPJMESA-N 1 2 357.498 2.879 20 30 FFEDLO C#CCC1(O)CC[NH+](CC(=O)c2cc(C)n(Cc3ccco3)c2C)CC1 ZINC000880478693 1015846220 /nfs/dbraw/zinc/84/62/20/1015846220.db2.gz JAHULEYBYSTRDD-UHFFFAOYSA-N 1 2 354.450 2.779 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000808790575 994265712 /nfs/dbraw/zinc/26/57/12/994265712.db2.gz OLAHTZAJJNTOQN-ZQIUZPCESA-N 1 2 372.469 2.873 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000808790575 994265725 /nfs/dbraw/zinc/26/57/25/994265725.db2.gz OLAHTZAJJNTOQN-ZQIUZPCESA-N 1 2 372.469 2.873 20 30 FFEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1 ZINC000880480860 1015847221 /nfs/dbraw/zinc/84/72/21/1015847221.db2.gz BCNAPTDJEYRTFN-UHFFFAOYSA-N 1 2 369.490 2.907 20 30 FFEDLO COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000810532386 994813805 /nfs/dbraw/zinc/81/38/05/994813805.db2.gz DFIGFTQUPYXCEF-BEFAXECRSA-N 1 2 361.417 2.555 20 30 FFEDLO COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC000810532386 994813819 /nfs/dbraw/zinc/81/38/19/994813819.db2.gz DFIGFTQUPYXCEF-BEFAXECRSA-N 1 2 361.417 2.555 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CC(C)C)no2)C1 ZINC001082533384 994840328 /nfs/dbraw/zinc/84/03/28/994840328.db2.gz ZOARWYNGTIVBGQ-TZMCWYRMSA-N 1 2 368.909 2.983 20 30 FFEDLO C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2noc(C)n2)C1 ZINC001082600361 995045993 /nfs/dbraw/zinc/04/59/93/995045993.db2.gz QHVGPMYNQGKUMA-JKIFEVAISA-N 1 2 370.453 2.754 20 30 FFEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001054042392 1015930920 /nfs/dbraw/zinc/93/09/20/1015930920.db2.gz XOBISPQDPBQWHE-HKBOAZHASA-N 1 2 354.494 2.614 20 30 FFEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001054042392 1015930923 /nfs/dbraw/zinc/93/09/23/1015930923.db2.gz XOBISPQDPBQWHE-HKBOAZHASA-N 1 2 354.494 2.614 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170690970 995574854 /nfs/dbraw/zinc/57/48/54/995574854.db2.gz VVHIRYKJGPIZSO-KXBFYZLASA-N 1 2 374.435 2.753 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170690970 995574863 /nfs/dbraw/zinc/57/48/63/995574863.db2.gz VVHIRYKJGPIZSO-KXBFYZLASA-N 1 2 374.435 2.753 20 30 FFEDLO O=C(C=C1CCC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC001083045481 996043010 /nfs/dbraw/zinc/04/30/10/996043010.db2.gz JZCNBQJZGSKSPQ-VQTJNVASSA-N 1 2 370.880 2.713 20 30 FFEDLO O=C(C=C1CCC1)N1CCO[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC001083045481 996043017 /nfs/dbraw/zinc/04/30/17/996043017.db2.gz JZCNBQJZGSKSPQ-VQTJNVASSA-N 1 2 370.880 2.713 20 30 FFEDLO CC(C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21)=C1CCC1 ZINC001083078620 996071751 /nfs/dbraw/zinc/07/17/51/996071751.db2.gz KVUAFAFVOYPYCZ-VQTJNVASSA-N 1 2 369.440 2.609 20 30 FFEDLO CC(C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21)=C1CCC1 ZINC001083078620 996071757 /nfs/dbraw/zinc/07/17/57/996071757.db2.gz KVUAFAFVOYPYCZ-VQTJNVASSA-N 1 2 369.440 2.609 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)C[C@H]4CC=CCC4)[C@H]3C2)s1 ZINC001083164496 996123716 /nfs/dbraw/zinc/12/37/16/996123716.db2.gz JFTXGXQLYZISCV-ZYSHUDEJSA-N 1 2 371.506 2.778 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C[C@H]4CC=CCC4)[C@H]3C2)s1 ZINC001083164496 996123719 /nfs/dbraw/zinc/12/37/19/996123719.db2.gz JFTXGXQLYZISCV-ZYSHUDEJSA-N 1 2 371.506 2.778 20 30 FFEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4cnc(C)s4)C[C@@H]32)CC1 ZINC001083183387 996172648 /nfs/dbraw/zinc/17/26/48/996172648.db2.gz CEHWTNDXHKRHPJ-ZWKOTPCHSA-N 1 2 361.511 2.610 20 30 FFEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@H+](Cc4cnc(C)s4)C[C@@H]32)CC1 ZINC001083183387 996172651 /nfs/dbraw/zinc/17/26/51/996172651.db2.gz CEHWTNDXHKRHPJ-ZWKOTPCHSA-N 1 2 361.511 2.610 20 30 FFEDLO CC(C)c1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)cc1 ZINC001083987516 996187673 /nfs/dbraw/zinc/18/76/73/996187673.db2.gz XLICJUAXWWRKLE-MOPGFXCFSA-N 1 2 369.490 2.718 20 30 FFEDLO CC(C)c1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)cc1 ZINC001083987516 996187677 /nfs/dbraw/zinc/18/76/77/996187677.db2.gz XLICJUAXWWRKLE-MOPGFXCFSA-N 1 2 369.490 2.718 20 30 FFEDLO Cc1ncsc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084208423 996343723 /nfs/dbraw/zinc/34/37/23/996343723.db2.gz XCBKJNNHDHQDJN-IUODEOHRSA-N 1 2 358.492 2.731 20 30 FFEDLO Cc1ncsc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084208423 996343727 /nfs/dbraw/zinc/34/37/27/996343727.db2.gz XCBKJNNHDHQDJN-IUODEOHRSA-N 1 2 358.492 2.731 20 30 FFEDLO O=C(c1ccnc(F)c1)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084225017 996373336 /nfs/dbraw/zinc/37/33/36/996373336.db2.gz WTFNTKXSWQWCPR-IEBWSBKVSA-N 1 2 367.399 2.558 20 30 FFEDLO O=C(c1ccnc(F)c1)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084225017 996373346 /nfs/dbraw/zinc/37/33/46/996373346.db2.gz WTFNTKXSWQWCPR-IEBWSBKVSA-N 1 2 367.399 2.558 20 30 FFEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(Br)c3)C[C@H]21 ZINC001084232121 996381152 /nfs/dbraw/zinc/38/11/52/996381152.db2.gz UIQILBQNMLVAMS-JGGQBBKZSA-N 1 2 362.271 2.641 20 30 FFEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(Br)c3)C[C@H]21 ZINC001084232121 996381158 /nfs/dbraw/zinc/38/11/58/996381158.db2.gz UIQILBQNMLVAMS-JGGQBBKZSA-N 1 2 362.271 2.641 20 30 FFEDLO Cc1ncoc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084258221 996403428 /nfs/dbraw/zinc/40/34/28/996403428.db2.gz CAJBGKPOYPIMAS-SJLPKXTDSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1ncoc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084258221 996403432 /nfs/dbraw/zinc/40/34/32/996403432.db2.gz CAJBGKPOYPIMAS-SJLPKXTDSA-N 1 2 369.852 2.834 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CCCCO4)[C@@H]3C2)c1 ZINC001084272214 996418634 /nfs/dbraw/zinc/41/86/34/996418634.db2.gz QGQGHMKWJBCALM-YVWKXTFCSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CCCCO4)[C@@H]3C2)c1 ZINC001084272214 996418636 /nfs/dbraw/zinc/41/86/36/996418636.db2.gz QGQGHMKWJBCALM-YVWKXTFCSA-N 1 2 371.456 2.689 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ncn4cc(Cl)ccc34)[C@@H]2C1 ZINC001084355077 996481610 /nfs/dbraw/zinc/48/16/10/996481610.db2.gz DOISMQFZPAGZGT-IUODEOHRSA-N 1 2 365.264 2.887 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ncn4cc(Cl)ccc34)[C@@H]2C1 ZINC001084355077 996481613 /nfs/dbraw/zinc/48/16/13/996481613.db2.gz DOISMQFZPAGZGT-IUODEOHRSA-N 1 2 365.264 2.887 20 30 FFEDLO O=C(c1ncc(F)cc1F)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084455925 996567104 /nfs/dbraw/zinc/56/71/04/996567104.db2.gz NSEHVUCYCHTIRV-VQIMIIECSA-N 1 2 367.399 2.558 20 30 FFEDLO O=C(c1ncc(F)cc1F)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084455925 996567109 /nfs/dbraw/zinc/56/71/09/996567109.db2.gz NSEHVUCYCHTIRV-VQIMIIECSA-N 1 2 367.399 2.558 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)c3c(C)n[nH]c3C)[C@@H]2C1 ZINC001084464799 996575165 /nfs/dbraw/zinc/57/51/65/996575165.db2.gz SVAWPRFBLWNNPN-IUIKQTSFSA-N 1 2 350.894 2.805 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)c3c(C)n[nH]c3C)[C@@H]2C1 ZINC001084464799 996575171 /nfs/dbraw/zinc/57/51/71/996575171.db2.gz SVAWPRFBLWNNPN-IUIKQTSFSA-N 1 2 350.894 2.805 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C4CC4)on3)[C@@H]2C1 ZINC001084555454 996674953 /nfs/dbraw/zinc/67/49/53/996674953.db2.gz HDJXUIGPBMWRJO-IEBWSBKVSA-N 1 2 362.433 2.770 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C4CC4)on3)[C@@H]2C1 ZINC001084555454 996674955 /nfs/dbraw/zinc/67/49/55/996674955.db2.gz HDJXUIGPBMWRJO-IEBWSBKVSA-N 1 2 362.433 2.770 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(NC(=O)c2ccncc2)c1 ZINC000730283429 997044352 /nfs/dbraw/zinc/04/43/52/997044352.db2.gz POSCEVXZAFCHFA-IBGZPJMESA-N 1 2 362.433 2.678 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(NC(=O)c2ccncc2)c1 ZINC000730283429 997044366 /nfs/dbraw/zinc/04/43/66/997044366.db2.gz POSCEVXZAFCHFA-IBGZPJMESA-N 1 2 362.433 2.678 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)C[C@H]1NC(=O)CSCC#N ZINC001206090527 1032139508 /nfs/dbraw/zinc/13/95/08/1032139508.db2.gz YZYUISXIPADCCS-IAQYHMDHSA-N 1 2 355.866 2.672 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)C[C@H]1NC(=O)CSCC#N ZINC001206090527 1032139515 /nfs/dbraw/zinc/13/95/15/1032139515.db2.gz YZYUISXIPADCCS-IAQYHMDHSA-N 1 2 355.866 2.672 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(OC)no3)C[C@H]21)c1ccccc1 ZINC001084846966 997630570 /nfs/dbraw/zinc/63/05/70/997630570.db2.gz GFYDDNZGMDOUMF-NZSAHSFTSA-N 1 2 367.449 2.686 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3cc(OC)no3)C[C@H]21)c1ccccc1 ZINC001084846966 997630577 /nfs/dbraw/zinc/63/05/77/997630577.db2.gz GFYDDNZGMDOUMF-NZSAHSFTSA-N 1 2 367.449 2.686 20 30 FFEDLO C#CCOc1ccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000124919433 997723531 /nfs/dbraw/zinc/72/35/31/997723531.db2.gz HNYOWZSKYZVRHE-INIZCTEOSA-N 1 2 352.438 2.919 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(NC(C)=O)c(F)c3)[C@@H]2C1 ZINC001084872660 997740022 /nfs/dbraw/zinc/74/00/22/997740022.db2.gz VJCGLXPVZKYUFX-RHSMWYFYSA-N 1 2 365.836 2.683 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(NC(C)=O)c(F)c3)[C@@H]2C1 ZINC001084872660 997740030 /nfs/dbraw/zinc/74/00/30/997740030.db2.gz VJCGLXPVZKYUFX-RHSMWYFYSA-N 1 2 365.836 2.683 20 30 FFEDLO C#CC(=O)Nc1c2c(sc1C(=O)OC)C[N@H+](Cc1ccccc1)CC2 ZINC001143906959 997797870 /nfs/dbraw/zinc/79/78/70/997797870.db2.gz FEZABDCLESKYRY-UHFFFAOYSA-N 1 2 354.431 2.665 20 30 FFEDLO C#CC(=O)Nc1c2c(sc1C(=O)OC)C[N@@H+](Cc1ccccc1)CC2 ZINC001143906959 997797880 /nfs/dbraw/zinc/79/78/80/997797880.db2.gz FEZABDCLESKYRY-UHFFFAOYSA-N 1 2 354.431 2.665 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1OC ZINC001090941157 997888734 /nfs/dbraw/zinc/88/87/34/997888734.db2.gz NGPYRZMHKODHTC-QINHECLXSA-N 1 2 358.486 2.585 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[N@@H+]2Cc3cccc(C#N)c3C2)CC1 ZINC000844472335 997926710 /nfs/dbraw/zinc/92/67/10/997926710.db2.gz OJGLSTMVBHKGTF-IBGZPJMESA-N 1 2 371.481 2.882 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[N@H+]2Cc3cccc(C#N)c3C2)CC1 ZINC000844472335 997926722 /nfs/dbraw/zinc/92/67/22/997926722.db2.gz OJGLSTMVBHKGTF-IBGZPJMESA-N 1 2 371.481 2.882 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3ccn(C4CCCC4)n3)[C@H]2C1 ZINC001084906287 997986268 /nfs/dbraw/zinc/98/62/68/997986268.db2.gz KQZZGFUWYQITFM-MDZRGWNJSA-N 1 2 355.486 2.581 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccn(C4CCCC4)n3)[C@H]2C1 ZINC001084906287 997986279 /nfs/dbraw/zinc/98/62/79/997986279.db2.gz KQZZGFUWYQITFM-MDZRGWNJSA-N 1 2 355.486 2.581 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC001084907225 997989231 /nfs/dbraw/zinc/98/92/31/997989231.db2.gz ZEQMDBAJDCWLGZ-WDYCEAGBSA-N 1 2 355.869 2.774 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC001084907225 997989242 /nfs/dbraw/zinc/98/92/42/997989242.db2.gz ZEQMDBAJDCWLGZ-WDYCEAGBSA-N 1 2 355.869 2.774 20 30 FFEDLO Cn1cnc2c1[C@H](COCC1CCCC1)C[N@H+](Cc1cncc(C#N)c1)C2 ZINC001144076110 997992706 /nfs/dbraw/zinc/99/27/06/997992706.db2.gz ZIKDLPDNBDYERJ-IBGZPJMESA-N 1 2 365.481 2.993 20 30 FFEDLO Cn1cnc2c1[C@H](COCC1CCCC1)C[N@@H+](Cc1cncc(C#N)c1)C2 ZINC001144076110 997992717 /nfs/dbraw/zinc/99/27/17/997992717.db2.gz ZIKDLPDNBDYERJ-IBGZPJMESA-N 1 2 365.481 2.993 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)SC)C[C@@H]21 ZINC001084922013 998118593 /nfs/dbraw/zinc/11/85/93/998118593.db2.gz HHSXPQHBQYAKGI-RDBSUJKOSA-N 1 2 361.349 2.959 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)SC)C[C@@H]21 ZINC001084922013 998118597 /nfs/dbraw/zinc/11/85/97/998118597.db2.gz HHSXPQHBQYAKGI-RDBSUJKOSA-N 1 2 361.349 2.959 20 30 FFEDLO CC(C)C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ncccc2C#N)C1)n1cc[nH+]c1 ZINC001091008950 998172176 /nfs/dbraw/zinc/17/21/76/998172176.db2.gz MTBYXRFSLCQRIA-NXHRZFHOSA-N 1 2 366.469 2.696 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cc[nH]c1C(=O)OCC)CCO2 ZINC001144332769 998353958 /nfs/dbraw/zinc/35/39/58/998353958.db2.gz RHMXWZJOAUWEFZ-YLJYHZDGSA-N 1 2 362.470 2.765 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cc[nH]c1C(=O)OCC)CCO2 ZINC001144332769 998353964 /nfs/dbraw/zinc/35/39/64/998353964.db2.gz RHMXWZJOAUWEFZ-YLJYHZDGSA-N 1 2 362.470 2.765 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@@H+](Cc3nccn3CC)[C@H]2C1 ZINC001084958888 998360128 /nfs/dbraw/zinc/36/01/28/998360128.db2.gz BSZOVHZZFKOTQW-MJGOQNOKSA-N 1 2 367.497 2.627 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@H+](Cc3nccn3CC)[C@H]2C1 ZINC001084958888 998360137 /nfs/dbraw/zinc/36/01/37/998360137.db2.gz BSZOVHZZFKOTQW-MJGOQNOKSA-N 1 2 367.497 2.627 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2cc(F)ccc2C#N)O1 ZINC001049732810 1016215578 /nfs/dbraw/zinc/21/55/78/1016215578.db2.gz RJERTHCAUVRMHH-ZVEHZALQSA-N 1 2 371.456 2.830 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2cc(F)ccc2C#N)O1 ZINC001049732810 1016215582 /nfs/dbraw/zinc/21/55/82/1016215582.db2.gz RJERTHCAUVRMHH-ZVEHZALQSA-N 1 2 371.456 2.830 20 30 FFEDLO COC(=O)[C@](C)(Cc1ccc(O)cc1)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171183033 998548776 /nfs/dbraw/zinc/54/87/76/998548776.db2.gz AMLDWWUCSOPGLR-BTYIYWSLSA-N 1 2 352.434 2.959 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@]3(C)CCCOC3)C[C@@H]21 ZINC001085064916 998824246 /nfs/dbraw/zinc/82/42/46/998824246.db2.gz HVCTYZYSMHLXBV-HLLBOEOZSA-N 1 2 371.319 2.635 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@]3(C)CCCOC3)C[C@@H]21 ZINC001085064916 998824251 /nfs/dbraw/zinc/82/42/51/998824251.db2.gz HVCTYZYSMHLXBV-HLLBOEOZSA-N 1 2 371.319 2.635 20 30 FFEDLO CCC[C@@H]1C[C@H]1C(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108197006 999125812 /nfs/dbraw/zinc/12/58/12/999125812.db2.gz FJSXXEDRQKYSGD-SBHAEUEKSA-N 1 2 355.482 2.702 20 30 FFEDLO CCC[C@@H]1C[C@H]1C(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108197006 999125814 /nfs/dbraw/zinc/12/58/14/999125814.db2.gz FJSXXEDRQKYSGD-SBHAEUEKSA-N 1 2 355.482 2.702 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001065944811 999131436 /nfs/dbraw/zinc/13/14/36/999131436.db2.gz IILGVBZIMZJZJQ-TVFCKZIOSA-N 1 2 358.486 2.711 20 30 FFEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001085604762 999592632 /nfs/dbraw/zinc/59/26/32/999592632.db2.gz RIGVIJXCDIYGGD-BHIFYINESA-N 1 2 359.473 2.770 20 30 FFEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001085604762 999592635 /nfs/dbraw/zinc/59/26/35/999592635.db2.gz RIGVIJXCDIYGGD-BHIFYINESA-N 1 2 359.473 2.770 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(C(=O)COc3cccc(C#N)c3)CC2)s1 ZINC000737934839 999611574 /nfs/dbraw/zinc/61/15/74/999611574.db2.gz OVDZUCSAUCCFIS-UHFFFAOYSA-N 1 2 369.490 2.905 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001085869295 999666655 /nfs/dbraw/zinc/66/66/55/999666655.db2.gz MVVHWWXJIATOTR-HBFSDRIKSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001085869295 999666656 /nfs/dbraw/zinc/66/66/56/999666656.db2.gz MVVHWWXJIATOTR-HBFSDRIKSA-N 1 2 371.456 2.711 20 30 FFEDLO CC[N@H+](C)[C@H](C(=O)OCC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000741150589 999711526 /nfs/dbraw/zinc/71/15/26/999711526.db2.gz JEYXSICOFAICJP-FQEVSTJZSA-N 1 2 365.433 2.927 20 30 FFEDLO CC[N@@H+](C)[C@H](C(=O)OCC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000741150589 999711529 /nfs/dbraw/zinc/71/15/29/999711529.db2.gz JEYXSICOFAICJP-FQEVSTJZSA-N 1 2 365.433 2.927 20 30 FFEDLO N#Cc1ccc(COC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000741350452 999723305 /nfs/dbraw/zinc/72/33/05/999723305.db2.gz CUGZZXWYGNTFQT-HXUWFJFHSA-N 1 2 350.418 2.893 20 30 FFEDLO N#Cc1ccc(COC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000741350452 999723308 /nfs/dbraw/zinc/72/33/08/999723308.db2.gz CUGZZXWYGNTFQT-HXUWFJFHSA-N 1 2 350.418 2.893 20 30 FFEDLO C#CCOc1cc(F)ccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741639565 999734459 /nfs/dbraw/zinc/73/44/59/999734459.db2.gz DHWGBMREYGODHW-FQEVSTJZSA-N 1 2 368.408 2.677 20 30 FFEDLO C#CCOc1cc(F)ccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741639565 999734460 /nfs/dbraw/zinc/73/44/60/999734460.db2.gz DHWGBMREYGODHW-FQEVSTJZSA-N 1 2 368.408 2.677 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CCNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001066386023 999756559 /nfs/dbraw/zinc/75/65/59/999756559.db2.gz VKPOHVXZAZIAFC-JQHSSLGASA-N 1 2 370.497 2.904 20 30 FFEDLO Cc1cccn2cc(CC(=O)NC3CCN(c4ccccc4C#N)CC3)[nH+]c12 ZINC000742192039 999763692 /nfs/dbraw/zinc/76/36/92/999763692.db2.gz PNHNQPKXIFSYGB-UHFFFAOYSA-N 1 2 373.460 2.842 20 30 FFEDLO NC(=[NH+]OCc1nnc(C2CC2)o1)c1ccc(OCc2cccnc2)cc1 ZINC000742357214 999769669 /nfs/dbraw/zinc/76/96/69/999769669.db2.gz RMMVINLXZOJWSG-UHFFFAOYSA-N 1 2 365.393 2.758 20 30 FFEDLO C#CC[NH+]1CCN(Cn2ncc3cc(OCc4ccccc4)ccc32)CC1 ZINC000743350999 999816064 /nfs/dbraw/zinc/81/60/64/999816064.db2.gz GBMXXUNSPBMKAM-UHFFFAOYSA-N 1 2 360.461 2.824 20 30 FFEDLO CC[N@H+](C)[C@@H](C(=O)OCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000745098821 999892519 /nfs/dbraw/zinc/89/25/19/999892519.db2.gz WFSYVSNECMKILA-LJQANCHMSA-N 1 2 351.406 2.733 20 30 FFEDLO CC[N@@H+](C)[C@@H](C(=O)OCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000745098821 999892521 /nfs/dbraw/zinc/89/25/21/999892521.db2.gz WFSYVSNECMKILA-LJQANCHMSA-N 1 2 351.406 2.733 20 30 FFEDLO CC[N@H+](C)[C@H](C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000745099242 999893120 /nfs/dbraw/zinc/89/31/20/999893120.db2.gz XWFBTJGNWPGUEA-KNBMTAEXSA-N 1 2 359.470 2.666 20 30 FFEDLO CC[N@@H+](C)[C@H](C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000745099242 999893121 /nfs/dbraw/zinc/89/31/21/999893121.db2.gz XWFBTJGNWPGUEA-KNBMTAEXSA-N 1 2 359.470 2.666 20 30 FFEDLO C#CC[N@@H+](CC)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000746457104 999993698 /nfs/dbraw/zinc/99/36/98/999993698.db2.gz XSGJLGIVZIWOCL-UHFFFAOYSA-N 1 2 352.413 2.999 20 30 FFEDLO C#CC[N@H+](CC)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000746457104 999993699 /nfs/dbraw/zinc/99/36/99/999993699.db2.gz XSGJLGIVZIWOCL-UHFFFAOYSA-N 1 2 352.413 2.999 20 30 FFEDLO CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001108974087 1000141410 /nfs/dbraw/zinc/14/14/10/1000141410.db2.gz HMSFKSRSRGEPJX-NEWSRXKRSA-N 1 2 359.445 2.736 20 30 FFEDLO CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001108974087 1000141412 /nfs/dbraw/zinc/14/14/12/1000141412.db2.gz HMSFKSRSRGEPJX-NEWSRXKRSA-N 1 2 359.445 2.736 20 30 FFEDLO CC(=NNC(=S)Nc1ccccn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000767805797 1000144900 /nfs/dbraw/zinc/14/49/00/1000144900.db2.gz IZIWZOQJMZSESW-KRWDZBQOSA-N 1 2 369.494 2.645 20 30 FFEDLO CC(=NNC(=S)Nc1ccccn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000767805797 1000144903 /nfs/dbraw/zinc/14/49/03/1000144903.db2.gz IZIWZOQJMZSESW-KRWDZBQOSA-N 1 2 369.494 2.645 20 30 FFEDLO Cc1cc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)nn1C ZINC000767828858 1000150541 /nfs/dbraw/zinc/15/05/41/1000150541.db2.gz UEJZUXMRBIUHME-UHFFFAOYSA-N 1 2 351.410 2.540 20 30 FFEDLO CC(C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001109030336 1000153073 /nfs/dbraw/zinc/15/30/73/1000153073.db2.gz QQKLPAFJZSIFKU-QYZOEREBSA-N 1 2 360.885 2.838 20 30 FFEDLO CC(C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001109030336 1000153074 /nfs/dbraw/zinc/15/30/74/1000153074.db2.gz QQKLPAFJZSIFKU-QYZOEREBSA-N 1 2 360.885 2.838 20 30 FFEDLO CC[C@@H](C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109162377 1000177663 /nfs/dbraw/zinc/17/76/63/1000177663.db2.gz KAWDWBGULGVOIZ-OLQIXAPSSA-N 1 2 359.445 2.734 20 30 FFEDLO CC[C@@H](C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109162377 1000177664 /nfs/dbraw/zinc/17/76/64/1000177664.db2.gz KAWDWBGULGVOIZ-OLQIXAPSSA-N 1 2 359.445 2.734 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cccc(CC)c1 ZINC001109204396 1000185499 /nfs/dbraw/zinc/18/54/99/1000185499.db2.gz OHPMAWHEECKMDT-AABGKKOBSA-N 1 2 367.493 2.713 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cccc(CC)c1 ZINC001109204396 1000185501 /nfs/dbraw/zinc/18/55/01/1000185501.db2.gz OHPMAWHEECKMDT-AABGKKOBSA-N 1 2 367.493 2.713 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)C1CC1 ZINC001109226597 1000190508 /nfs/dbraw/zinc/19/05/08/1000190508.db2.gz WOQAELMNGIXBHI-FYQPLNBISA-N 1 2 372.896 2.838 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)C1CC1 ZINC001109226597 1000190509 /nfs/dbraw/zinc/19/05/09/1000190509.db2.gz WOQAELMNGIXBHI-FYQPLNBISA-N 1 2 372.896 2.838 20 30 FFEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(-c2ccccc2)on1 ZINC001109259715 1000204582 /nfs/dbraw/zinc/20/45/82/1000204582.db2.gz OTJUPSMWTFGNCQ-AABGKKOBSA-N 1 2 361.445 2.977 20 30 FFEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(-c2ccccc2)on1 ZINC001109259715 1000204586 /nfs/dbraw/zinc/20/45/86/1000204586.db2.gz OTJUPSMWTFGNCQ-AABGKKOBSA-N 1 2 361.445 2.977 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CCCC[C@H]1Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001091252244 1000337970 /nfs/dbraw/zinc/33/79/70/1000337970.db2.gz SHVDLCBHNGWHRV-QINHECLXSA-N 1 2 358.486 2.829 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001091296220 1000381692 /nfs/dbraw/zinc/38/16/92/1000381692.db2.gz UZKOCVZYVMPHTE-HUUCEWRRSA-N 1 2 360.506 2.688 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F)C1CCC1 ZINC001109574065 1000662554 /nfs/dbraw/zinc/66/25/54/1000662554.db2.gz RGJOINDBOCCBBX-GTAWCEEGSA-N 1 2 371.456 2.734 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F)C1CCC1 ZINC001109574065 1000662559 /nfs/dbraw/zinc/66/25/59/1000662559.db2.gz RGJOINDBOCCBBX-GTAWCEEGSA-N 1 2 371.456 2.734 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NCc1ccco1 ZINC001109591177 1000687183 /nfs/dbraw/zinc/68/71/83/1000687183.db2.gz UNCAIKUZJXWMBF-MVJTYMMSSA-N 1 2 373.497 2.608 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NCc1ccco1 ZINC001109591177 1000687186 /nfs/dbraw/zinc/68/71/86/1000687186.db2.gz UNCAIKUZJXWMBF-MVJTYMMSSA-N 1 2 373.497 2.608 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1 ZINC001109634332 1000734827 /nfs/dbraw/zinc/73/48/27/1000734827.db2.gz JZGIIZPJRIFONH-NQYYFHDYSA-N 1 2 355.482 2.949 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1 ZINC001109634332 1000734835 /nfs/dbraw/zinc/73/48/35/1000734835.db2.gz JZGIIZPJRIFONH-NQYYFHDYSA-N 1 2 355.482 2.949 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nn(C)c1Cl ZINC001109627389 1000740691 /nfs/dbraw/zinc/74/06/91/1000740691.db2.gz PCLMSJKWLHQPEH-PVAVHDDUSA-N 1 2 362.905 2.797 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nn(C)c1Cl ZINC001109627389 1000740697 /nfs/dbraw/zinc/74/06/97/1000740697.db2.gz PCLMSJKWLHQPEH-PVAVHDDUSA-N 1 2 362.905 2.797 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCCC1 ZINC001109659066 1000798862 /nfs/dbraw/zinc/79/88/62/1000798862.db2.gz QJHHKMXGRWVMGP-QYZOEREBSA-N 1 2 361.530 2.903 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCCC1 ZINC001109659066 1000798871 /nfs/dbraw/zinc/79/88/71/1000798871.db2.gz QJHHKMXGRWVMGP-QYZOEREBSA-N 1 2 361.530 2.903 20 30 FFEDLO C[C@@H](CC(=O)NC[C@H]1CC[C@@H](Nc2ncc(C#N)cc2F)C1)n1cc[nH+]c1 ZINC001091643907 1000938011 /nfs/dbraw/zinc/93/80/11/1000938011.db2.gz XDQWMTWAKBFTIT-OFQRWUPVSA-N 1 2 370.432 2.637 20 30 FFEDLO Cn1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)c1C1CC1 ZINC001096660872 1016452815 /nfs/dbraw/zinc/45/28/15/1016452815.db2.gz OIFSUVVSDJREDG-GIVPXCGWSA-N 1 2 374.488 2.684 20 30 FFEDLO Cn1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)c1C1CC1 ZINC001096660872 1016452820 /nfs/dbraw/zinc/45/28/20/1016452820.db2.gz OIFSUVVSDJREDG-GIVPXCGWSA-N 1 2 374.488 2.684 20 30 FFEDLO C[C@@]1(CCc2ccccc2)NC(=O)N(N=Cc2cccc3[nH+]ccn32)C1=O ZINC000771096573 1001006882 /nfs/dbraw/zinc/00/68/82/1001006882.db2.gz GFSGQMSVFFTVOH-FQEVSTJZSA-N 1 2 361.405 2.612 20 30 FFEDLO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C1CC1)C2 ZINC001110067210 1001430446 /nfs/dbraw/zinc/43/04/46/1001430446.db2.gz AQUQGAYECYSRFW-YVVXQTMVSA-N 1 2 373.522 2.651 20 30 FFEDLO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C1CC1)C2 ZINC001110067210 1001430450 /nfs/dbraw/zinc/43/04/50/1001430450.db2.gz AQUQGAYECYSRFW-YVVXQTMVSA-N 1 2 373.522 2.651 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCC)c1ccccc1)C2 ZINC001110068171 1001431417 /nfs/dbraw/zinc/43/14/17/1001431417.db2.gz ROBNNMFPBUKJSP-FYQPLNBISA-N 1 2 369.509 2.594 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCC)c1ccccc1)C2 ZINC001110068171 1001431418 /nfs/dbraw/zinc/43/14/18/1001431418.db2.gz ROBNNMFPBUKJSP-FYQPLNBISA-N 1 2 369.509 2.594 20 30 FFEDLO CN(C)c1noc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)n1 ZINC000786894066 1001640426 /nfs/dbraw/zinc/64/04/26/1001640426.db2.gz ROPIRQLOXSWMDW-UHFFFAOYSA-N 1 2 367.409 2.552 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CCN(c3nc(C)[nH+]c4c3CCCC4)C[C@H]2C1 ZINC001091848008 1001943484 /nfs/dbraw/zinc/94/34/84/1001943484.db2.gz TURZYUGWROMUNQ-SJORKVTESA-N 1 2 354.498 2.915 20 30 FFEDLO Cc1nc(N2CC[C@@H]3CN(C(=O)C#CC(C)C)C[C@@H]3C2)c2c([nH+]1)CCCC2 ZINC001091850494 1001947456 /nfs/dbraw/zinc/94/74/56/1001947456.db2.gz CWLQNEFXSWZMAD-MSOLQXFVSA-N 1 2 366.509 2.608 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)C[C@H]2C1 ZINC001091855684 1002000130 /nfs/dbraw/zinc/00/01/30/1002000130.db2.gz KYOGHBZEPRTJCR-NXHRZFHOSA-N 1 2 370.497 2.538 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001057034723 1016565136 /nfs/dbraw/zinc/56/51/36/1016565136.db2.gz MCUVGSVMGQZTLO-BBWFWOEESA-N 1 2 358.486 2.537 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC001096770847 1016572341 /nfs/dbraw/zinc/57/23/41/1016572341.db2.gz SIWOIVASFMETLW-AKHDSKFASA-N 1 2 358.869 2.592 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC001096770847 1016572354 /nfs/dbraw/zinc/57/23/54/1016572354.db2.gz SIWOIVASFMETLW-AKHDSKFASA-N 1 2 358.869 2.592 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](Cc4nccn4C(F)F)C[C@@]3(C)C2)C1 ZINC001091996482 1002202746 /nfs/dbraw/zinc/20/27/46/1002202746.db2.gz XMUOXYJUGYTNGW-KUHUBIRLSA-N 1 2 364.440 2.915 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@@H+](Cc4nccn4C(F)F)C[C@@]3(C)C2)C1 ZINC001091996482 1002202756 /nfs/dbraw/zinc/20/27/56/1002202756.db2.gz XMUOXYJUGYTNGW-KUHUBIRLSA-N 1 2 364.440 2.915 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@@H+]([C@@H](C)c4nnc(CC)[nH]4)C[C@@]3(C)C2)CC1 ZINC001091978830 1002239342 /nfs/dbraw/zinc/23/93/42/1002239342.db2.gz GXYXIXACCSWCSG-XPIZARPCSA-N 1 2 371.529 2.955 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@H+]([C@@H](C)c4nnc(CC)[nH]4)C[C@@]3(C)C2)CC1 ZINC001091978830 1002239349 /nfs/dbraw/zinc/23/93/49/1002239349.db2.gz GXYXIXACCSWCSG-XPIZARPCSA-N 1 2 371.529 2.955 20 30 FFEDLO COCCN(C)c1ccc(C=[NH+][N-]c2[nH]c3cc(F)c(F)cc3[nH+]2)cn1 ZINC000790154192 1002295365 /nfs/dbraw/zinc/29/53/65/1002295365.db2.gz QZVXWAZXNMZGPT-UHFFFAOYSA-N 1 2 360.368 2.765 20 30 FFEDLO COC[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183829331 1002402171 /nfs/dbraw/zinc/40/21/71/1002402171.db2.gz TWRWGGSRFXHOOG-VQTJNVASSA-N 1 2 355.482 2.940 20 30 FFEDLO COC[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183829331 1002402175 /nfs/dbraw/zinc/40/21/75/1002402175.db2.gz TWRWGGSRFXHOOG-VQTJNVASSA-N 1 2 355.482 2.940 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](CCO)C1 ZINC001183831076 1002404202 /nfs/dbraw/zinc/40/42/02/1002404202.db2.gz LJVBKMZJKCPQTH-FXAWDEMLSA-N 1 2 355.482 2.534 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](CCO)C1 ZINC001183831076 1002404206 /nfs/dbraw/zinc/40/42/06/1002404206.db2.gz LJVBKMZJKCPQTH-FXAWDEMLSA-N 1 2 355.482 2.534 20 30 FFEDLO C=CC[C@]1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCCN1C(=O)OC(C)(C)C ZINC000790928690 1002512687 /nfs/dbraw/zinc/51/26/87/1002512687.db2.gz JQAGOZSWSLZKLJ-MGPUTAFESA-N 1 2 374.485 2.660 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001086592605 1002538763 /nfs/dbraw/zinc/53/87/63/1002538763.db2.gz XAMFGBAERBFXQX-DOTOQJQBSA-N 1 2 370.884 2.847 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001086592605 1002538772 /nfs/dbraw/zinc/53/87/72/1002538772.db2.gz XAMFGBAERBFXQX-DOTOQJQBSA-N 1 2 370.884 2.847 20 30 FFEDLO CCO[C@@H](CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110348043 1002545274 /nfs/dbraw/zinc/54/52/74/1002545274.db2.gz QJIAAWAMRQIDKD-YSHGAJCASA-N 1 2 359.445 2.734 20 30 FFEDLO CCO[C@@H](CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110348043 1002545281 /nfs/dbraw/zinc/54/52/81/1002545281.db2.gz QJIAAWAMRQIDKD-YSHGAJCASA-N 1 2 359.445 2.734 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](CCCc3ccc(F)cc3)C[C@@]2(F)C1=O ZINC001276267246 1016666396 /nfs/dbraw/zinc/66/63/96/1016666396.db2.gz RKDDXMZPNCJGOK-RBUKOAKNSA-N 1 2 352.400 2.909 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](CCCc3ccc(F)cc3)C[C@@]2(F)C1=O ZINC001276267246 1016666405 /nfs/dbraw/zinc/66/64/05/1016666405.db2.gz RKDDXMZPNCJGOK-RBUKOAKNSA-N 1 2 352.400 2.909 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110359742 1002899993 /nfs/dbraw/zinc/89/99/93/1002899993.db2.gz YUISYNFOBGGZIH-KORVSZGISA-N 1 2 371.456 2.734 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110359742 1002900005 /nfs/dbraw/zinc/90/00/05/1002900005.db2.gz YUISYNFOBGGZIH-KORVSZGISA-N 1 2 371.456 2.734 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](CCCc3cccc(C#N)c3)C[C@@]2(F)C1=O ZINC001276280098 1016707750 /nfs/dbraw/zinc/70/77/50/1016707750.db2.gz GZAYTHZXIXJXHE-VQTJNVASSA-N 1 2 359.420 2.641 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](CCCc3cccc(C#N)c3)C[C@@]2(F)C1=O ZINC001276280098 1016707763 /nfs/dbraw/zinc/70/77/63/1016707763.db2.gz GZAYTHZXIXJXHE-VQTJNVASSA-N 1 2 359.420 2.641 20 30 FFEDLO Cc1cc(N2C[C@@H](C)[C@H](CCNC(=O)C#CC(C)C)C2)nc(C2CC2)[nH+]1 ZINC001092511058 1003016824 /nfs/dbraw/zinc/01/68/24/1003016824.db2.gz FUMNWTKYGIYSPV-CRAIPNDOSA-N 1 2 354.498 2.900 20 30 FFEDLO C=CCCOCC(=O)NCC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001092525605 1003056404 /nfs/dbraw/zinc/05/64/04/1003056404.db2.gz MCKNXJKWMHXHBQ-RDTXWAMCSA-N 1 2 360.502 2.573 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)c1cccs1 ZINC001110371201 1003094748 /nfs/dbraw/zinc/09/47/48/1003094748.db2.gz FQYWCAFBQRAMJU-JJXSEGSLSA-N 1 2 361.511 2.613 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)c1cccs1 ZINC001110371201 1003094762 /nfs/dbraw/zinc/09/47/62/1003094762.db2.gz FQYWCAFBQRAMJU-JJXSEGSLSA-N 1 2 361.511 2.613 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](C)[C@H](CCNc2[nH+]cnc3c2cnn3C)C1 ZINC001092627130 1003335398 /nfs/dbraw/zinc/33/53/98/1003335398.db2.gz PDMWJHDPGJDUJR-HUUCEWRRSA-N 1 2 356.474 2.616 20 30 FFEDLO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)n1 ZINC001152344903 1032150080 /nfs/dbraw/zinc/15/00/80/1032150080.db2.gz YRZUSLWYZMDZHK-GFCCVEGCSA-N 1 2 366.812 2.795 20 30 FFEDLO CN(C)c1ccccc1C[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793517049 1003397662 /nfs/dbraw/zinc/39/76/62/1003397662.db2.gz CIYKWFMCQRRBRA-UHFFFAOYSA-N 1 2 350.466 2.754 20 30 FFEDLO CN(C)c1ccccc1C[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793517049 1003397669 /nfs/dbraw/zinc/39/76/69/1003397669.db2.gz CIYKWFMCQRRBRA-UHFFFAOYSA-N 1 2 350.466 2.754 20 30 FFEDLO C=CCOc1ccccc1CNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC001187006244 1003511180 /nfs/dbraw/zinc/51/11/80/1003511180.db2.gz WIUJVTYWTFBPAD-UHFFFAOYSA-N 1 2 372.490 2.718 20 30 FFEDLO C=CCOc1ccccc1CNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC001187006244 1003511188 /nfs/dbraw/zinc/51/11/88/1003511188.db2.gz WIUJVTYWTFBPAD-UHFFFAOYSA-N 1 2 372.490 2.718 20 30 FFEDLO N#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001086617840 1003515121 /nfs/dbraw/zinc/51/51/21/1003515121.db2.gz ATWLWHHGJQGEJA-LEWJYISDSA-N 1 2 371.444 2.594 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)cc1OC ZINC001110390205 1003590295 /nfs/dbraw/zinc/59/02/95/1003590295.db2.gz CAXGDYOIPSWVMS-ZACQAIPSSA-N 1 2 364.873 2.773 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)cc1OC ZINC001110390205 1003590304 /nfs/dbraw/zinc/59/03/04/1003590304.db2.gz CAXGDYOIPSWVMS-ZACQAIPSSA-N 1 2 364.873 2.773 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@H]1O ZINC001196481909 1003785158 /nfs/dbraw/zinc/78/51/58/1003785158.db2.gz HANQMCWFFKJLQC-IAGOWNOFSA-N 1 2 368.880 2.785 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)C[C@H]1O ZINC001196481909 1003785164 /nfs/dbraw/zinc/78/51/64/1003785164.db2.gz HANQMCWFFKJLQC-IAGOWNOFSA-N 1 2 368.880 2.785 20 30 FFEDLO C[C@H]1CC[N@H+](CCOc2cccc(C#N)c2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805785776 1004132330 /nfs/dbraw/zinc/13/23/30/1004132330.db2.gz OTYKDZOLHWJDBL-XEZPLFJOSA-N 1 2 369.387 2.714 20 30 FFEDLO C[C@H]1CC[N@@H+](CCOc2cccc(C#N)c2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805785776 1004132337 /nfs/dbraw/zinc/13/23/37/1004132337.db2.gz OTYKDZOLHWJDBL-XEZPLFJOSA-N 1 2 369.387 2.714 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CCc2cc(Cl)cc(Cl)c2)C[C@H]1O ZINC001192504107 1004181671 /nfs/dbraw/zinc/18/16/71/1004181671.db2.gz VOVCZTPBSKIKHW-IAGOWNOFSA-N 1 2 369.292 2.501 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CCc2cc(Cl)cc(Cl)c2)C[C@H]1O ZINC001192504107 1004181675 /nfs/dbraw/zinc/18/16/75/1004181675.db2.gz VOVCZTPBSKIKHW-IAGOWNOFSA-N 1 2 369.292 2.501 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2oc(C(C)C)nc2C)C[C@H]1O ZINC001193231611 1004411175 /nfs/dbraw/zinc/41/11/75/1004411175.db2.gz JAQXBRPJADRPBE-IAGOWNOFSA-N 1 2 361.486 2.536 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2oc(C(C)C)nc2C)C[C@H]1O ZINC001193231611 1004411180 /nfs/dbraw/zinc/41/11/80/1004411180.db2.gz JAQXBRPJADRPBE-IAGOWNOFSA-N 1 2 361.486 2.536 20 30 FFEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001198185312 1004534965 /nfs/dbraw/zinc/53/49/65/1004534965.db2.gz PAKIWQWSYOGCIY-TYILLQQXSA-N 1 2 363.421 2.657 20 30 FFEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001198185312 1004534970 /nfs/dbraw/zinc/53/49/70/1004534970.db2.gz PAKIWQWSYOGCIY-TYILLQQXSA-N 1 2 363.421 2.657 20 30 FFEDLO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(C#N)c3O)cc2F)CC1 ZINC001193652299 1004539413 /nfs/dbraw/zinc/53/94/13/1004539413.db2.gz COFPKDJQRRTDRU-UHFFFAOYSA-N 1 2 368.412 2.797 20 30 FFEDLO Cn1c[nH+]cc1-c1cccc(C(=O)N2CCN(c3ccccc3C#N)CC2)c1 ZINC001194888004 1004846759 /nfs/dbraw/zinc/84/67/59/1004846759.db2.gz SBOUQZAICCBUNW-UHFFFAOYSA-N 1 2 371.444 2.921 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCc2cccc(Cl)c2Cl)C[C@H]1O ZINC001195312289 1004940000 /nfs/dbraw/zinc/94/00/00/1004940000.db2.gz LFTYNUJOSHCYCP-HUUCEWRRSA-N 1 2 371.308 2.909 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCc2cccc(Cl)c2Cl)C[C@H]1O ZINC001195312289 1004940006 /nfs/dbraw/zinc/94/00/06/1004940006.db2.gz LFTYNUJOSHCYCP-HUUCEWRRSA-N 1 2 371.308 2.909 20 30 FFEDLO Cc1cc(C#N)cc(C(=O)N2CCc3c(C[N@@H+](C)C(C)C)n[nH]c3C2)c1 ZINC001195411954 1004954189 /nfs/dbraw/zinc/95/41/89/1004954189.db2.gz WBNALPFVDJEXJK-UHFFFAOYSA-N 1 2 351.454 2.629 20 30 FFEDLO Cc1cc(C#N)cc(C(=O)N2CCc3c(C[N@H+](C)C(C)C)n[nH]c3C2)c1 ZINC001195411954 1004954191 /nfs/dbraw/zinc/95/41/91/1004954191.db2.gz WBNALPFVDJEXJK-UHFFFAOYSA-N 1 2 351.454 2.629 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccccc3)oc2C)C[C@H]1O ZINC001195739222 1005037525 /nfs/dbraw/zinc/03/75/25/1005037525.db2.gz GVUIIVOHQMSFTG-RTBURBONSA-N 1 2 369.465 2.668 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)oc2C)C[C@H]1O ZINC001195739222 1005037528 /nfs/dbraw/zinc/03/75/28/1005037528.db2.gz GVUIIVOHQMSFTG-RTBURBONSA-N 1 2 369.465 2.668 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1)C(C)C ZINC001110547711 1005085391 /nfs/dbraw/zinc/08/53/91/1005085391.db2.gz QHUXELZKGSOBLD-LMCOJAPRSA-N 1 2 373.472 2.980 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1)C(C)C ZINC001110547711 1005085398 /nfs/dbraw/zinc/08/53/98/1005085398.db2.gz QHUXELZKGSOBLD-LMCOJAPRSA-N 1 2 373.472 2.980 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F)C1CC1 ZINC001110569313 1005256895 /nfs/dbraw/zinc/25/68/95/1005256895.db2.gz JOQNZDGCZUEQOR-RSPOEFSDSA-N 1 2 371.456 2.734 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F)C1CC1 ZINC001110569313 1005256897 /nfs/dbraw/zinc/25/68/97/1005256897.db2.gz JOQNZDGCZUEQOR-RSPOEFSDSA-N 1 2 371.456 2.734 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C(=O)C(C)(C)C)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001489107670 1005410914 /nfs/dbraw/zinc/41/09/14/1005410914.db2.gz JXVRGDCAHIJGOI-DLBZAZTESA-N 1 2 359.445 2.782 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C(=O)C(C)(C)C)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001489107670 1005410915 /nfs/dbraw/zinc/41/09/15/1005410915.db2.gz JXVRGDCAHIJGOI-DLBZAZTESA-N 1 2 359.445 2.782 20 30 FFEDLO C=C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2cn(C)nn2)[C@@H]1CC)c1ccccc1 ZINC001489145009 1005423517 /nfs/dbraw/zinc/42/35/17/1005423517.db2.gz MTTAZPQHXRMQRR-LSTHTHJFSA-N 1 2 367.497 2.644 20 30 FFEDLO C=C[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2cn(C)nn2)[C@@H]1CC)c1ccccc1 ZINC001489145009 1005423518 /nfs/dbraw/zinc/42/35/18/1005423518.db2.gz MTTAZPQHXRMQRR-LSTHTHJFSA-N 1 2 367.497 2.644 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccc(Br)s2)[C@@H]1C ZINC001489257006 1005440687 /nfs/dbraw/zinc/44/06/87/1005440687.db2.gz MWNSNFVGDNBFDR-FOGDFJRCSA-N 1 2 356.289 2.749 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Br)s2)[C@@H]1C ZINC001489257006 1005440689 /nfs/dbraw/zinc/44/06/89/1005440689.db2.gz MWNSNFVGDNBFDR-FOGDFJRCSA-N 1 2 356.289 2.749 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]ccc1OC ZINC001489696036 1005547379 /nfs/dbraw/zinc/54/73/79/1005547379.db2.gz MAFSAHTWDQSWOX-IAGOWNOFSA-N 1 2 359.470 2.533 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3cccc(CC)c3)C[C@H]21 ZINC001187200638 1005960573 /nfs/dbraw/zinc/96/05/73/1005960573.db2.gz YRVBZKLBGBLAGH-PKOBYXMFSA-N 1 2 355.482 2.686 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3cccc(CC)c3)C[C@H]21 ZINC001187200638 1005960578 /nfs/dbraw/zinc/96/05/78/1005960578.db2.gz YRVBZKLBGBLAGH-PKOBYXMFSA-N 1 2 355.482 2.686 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3c(C)cccc3C)C[C@H]21 ZINC001187232775 1005968938 /nfs/dbraw/zinc/96/89/38/1005968938.db2.gz IJQYJBFKVLRBDJ-ZWKOTPCHSA-N 1 2 355.482 2.741 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3c(C)cccc3C)C[C@H]21 ZINC001187232775 1005968942 /nfs/dbraw/zinc/96/89/42/1005968942.db2.gz IJQYJBFKVLRBDJ-ZWKOTPCHSA-N 1 2 355.482 2.741 20 30 FFEDLO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+]3CCC[C@H](CC#N)C3)cc2)C[C@H](C)O1 ZINC000852319575 1005976701 /nfs/dbraw/zinc/97/67/01/1005976701.db2.gz PJZXESJGVNTGQM-FGTMMUONSA-N 1 2 370.497 2.864 20 30 FFEDLO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3CCC[C@H](CC#N)C3)cc2)C[C@H](C)O1 ZINC000852319575 1005976706 /nfs/dbraw/zinc/97/67/06/1005976706.db2.gz PJZXESJGVNTGQM-FGTMMUONSA-N 1 2 370.497 2.864 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000776595799 1006039702 /nfs/dbraw/zinc/03/97/02/1006039702.db2.gz ASEMAHZGLSKWGT-RTBURBONSA-N 1 2 353.378 2.573 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000776595799 1006039710 /nfs/dbraw/zinc/03/97/10/1006039710.db2.gz ASEMAHZGLSKWGT-RTBURBONSA-N 1 2 353.378 2.573 20 30 FFEDLO N#C[C@H](C(=O)C[N@H+]1CCC[C@H](CCF)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000852533912 1006069757 /nfs/dbraw/zinc/06/97/57/1006069757.db2.gz ZTSYMBKODNBCGA-UKRRQHHQSA-N 1 2 356.401 2.583 20 30 FFEDLO N#C[C@H](C(=O)C[N@@H+]1CCC[C@H](CCF)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000852533912 1006069766 /nfs/dbraw/zinc/06/97/66/1006069766.db2.gz ZTSYMBKODNBCGA-UKRRQHHQSA-N 1 2 356.401 2.583 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(Cl)cc2c1OCC2 ZINC001110396756 1006225744 /nfs/dbraw/zinc/22/57/44/1006225744.db2.gz YCSNSEVIXJBTIQ-QYHDQYMBSA-N 1 2 359.857 2.656 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(Cl)cc2c1OCC2 ZINC001110396756 1006225754 /nfs/dbraw/zinc/22/57/54/1006225754.db2.gz YCSNSEVIXJBTIQ-QYHDQYMBSA-N 1 2 359.857 2.656 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000747967620 1006388741 /nfs/dbraw/zinc/38/87/41/1006388741.db2.gz HRONNMNTEHODJB-QFBILLFUSA-N 1 2 356.514 2.822 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000747967620 1006388751 /nfs/dbraw/zinc/38/87/51/1006388751.db2.gz HRONNMNTEHODJB-QFBILLFUSA-N 1 2 356.514 2.822 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3CC[C@@H](C4CCCCC4)C3=O)C2)nc1 ZINC000853514233 1006422723 /nfs/dbraw/zinc/42/27/23/1006422723.db2.gz GVQLJWWFTDLCGG-MOPGFXCFSA-N 1 2 368.481 2.793 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3CC[C@@H](C4CCCCC4)C3=O)C2)nc1 ZINC000853514233 1006422727 /nfs/dbraw/zinc/42/27/27/1006422727.db2.gz GVQLJWWFTDLCGG-MOPGFXCFSA-N 1 2 368.481 2.793 20 30 FFEDLO COc1ccc(C#N)cc1C[NH+]1CC(C)(c2nnc(C3CCOCC3)o2)C1 ZINC000854075640 1006662073 /nfs/dbraw/zinc/66/20/73/1006662073.db2.gz HXLUZLMTENGUCM-UHFFFAOYSA-N 1 2 368.437 2.617 20 30 FFEDLO Cc1cc(C(=O)OCC[N@@H+]2CCO[C@@H](C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000800160469 1007187039 /nfs/dbraw/zinc/18/70/39/1007187039.db2.gz QWLXEAORJNFHMC-INIZCTEOSA-N 1 2 367.449 2.843 20 30 FFEDLO Cc1cc(C(=O)OCC[N@H+]2CCO[C@@H](C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000800160469 1007187047 /nfs/dbraw/zinc/18/70/47/1007187047.db2.gz QWLXEAORJNFHMC-INIZCTEOSA-N 1 2 367.449 2.843 20 30 FFEDLO N#Cc1c(Cl)c(F)cc(C(=O)N2CCc3[nH+]ccn3CC2)c1Cl ZINC001189838539 1007304388 /nfs/dbraw/zinc/30/43/88/1007304388.db2.gz IJXNHDKETNVQLS-UHFFFAOYSA-N 1 2 353.184 2.899 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(F)c2F)[nH]1 ZINC001095328220 1007329055 /nfs/dbraw/zinc/32/90/55/1007329055.db2.gz YBHGLRBZMCRZRE-COXVUDFISA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(F)c2F)[nH]1 ZINC001095328220 1007329060 /nfs/dbraw/zinc/32/90/60/1007329060.db2.gz YBHGLRBZMCRZRE-COXVUDFISA-N 1 2 356.376 2.700 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)co1 ZINC001095332396 1007520211 /nfs/dbraw/zinc/52/02/11/1007520211.db2.gz LZZRRLARXQYBKC-AOIWGVFYSA-N 1 2 367.424 2.763 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)co1 ZINC001095332396 1007520223 /nfs/dbraw/zinc/52/02/23/1007520223.db2.gz LZZRRLARXQYBKC-AOIWGVFYSA-N 1 2 367.424 2.763 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206334049 1032237594 /nfs/dbraw/zinc/23/75/94/1032237594.db2.gz ZHPUJENVWMKCGE-ZRGWGRIASA-N 1 2 361.461 2.695 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206334049 1032237606 /nfs/dbraw/zinc/23/76/06/1032237606.db2.gz ZHPUJENVWMKCGE-ZRGWGRIASA-N 1 2 361.461 2.695 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)CC1 ZINC001190424744 1007636675 /nfs/dbraw/zinc/63/66/75/1007636675.db2.gz WWHXDZMHVNJMHU-UHFFFAOYSA-N 1 2 366.343 2.699 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccccc2NCCC#N)CC1 ZINC000819490736 1008154857 /nfs/dbraw/zinc/15/48/57/1008154857.db2.gz LFRHYDJMGRNJNT-UHFFFAOYSA-N 1 2 374.485 2.944 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(Cl)c2C)C[C@H]1C ZINC001206509260 1032319260 /nfs/dbraw/zinc/31/92/60/1032319260.db2.gz HRVIBEFZIHXYAC-CXAGYDPISA-N 1 2 363.889 2.990 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(Cl)c2C)C[C@H]1C ZINC001206509260 1032319269 /nfs/dbraw/zinc/31/92/69/1032319269.db2.gz HRVIBEFZIHXYAC-CXAGYDPISA-N 1 2 363.889 2.990 20 30 FFEDLO C#CC[N@H+](Cc1cn(CCC=C)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426398 1008676189 /nfs/dbraw/zinc/67/61/89/1008676189.db2.gz VNFCEOZLYAPVDG-UHFFFAOYSA-N 1 2 373.501 2.689 20 30 FFEDLO C#CC[N@@H+](Cc1cn(CCC=C)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426398 1008676194 /nfs/dbraw/zinc/67/61/94/1008676194.db2.gz VNFCEOZLYAPVDG-UHFFFAOYSA-N 1 2 373.501 2.689 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3C)no2)C[C@H]1C ZINC001206544793 1032338505 /nfs/dbraw/zinc/33/85/05/1032338505.db2.gz MXFDFLDZDNAMNI-NVXWUHKLSA-N 1 2 354.454 2.948 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccccc3C)no2)C[C@H]1C ZINC001206544793 1032338513 /nfs/dbraw/zinc/33/85/13/1032338513.db2.gz MXFDFLDZDNAMNI-NVXWUHKLSA-N 1 2 354.454 2.948 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001090675814 1009028403 /nfs/dbraw/zinc/02/84/03/1009028403.db2.gz KFYJLUTZYJAKEY-DJIMGWMZSA-N 1 2 360.502 2.831 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001092894750 1009360345 /nfs/dbraw/zinc/36/03/45/1009360345.db2.gz TZFUMLJBRRAIKK-OEMYIYORSA-N 1 2 372.513 2.857 20 30 FFEDLO COCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110810059 1009651110 /nfs/dbraw/zinc/65/11/10/1009651110.db2.gz DHZLTYSFTOLVFB-NXHRZFHOSA-N 1 2 359.445 2.591 20 30 FFEDLO COCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110810059 1009651116 /nfs/dbraw/zinc/65/11/16/1009651116.db2.gz DHZLTYSFTOLVFB-NXHRZFHOSA-N 1 2 359.445 2.591 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001206778581 1032420330 /nfs/dbraw/zinc/42/03/30/1032420330.db2.gz ABOUOVDSWVRDCD-GDBMZVCRSA-N 1 2 351.878 2.654 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001206778581 1032420334 /nfs/dbraw/zinc/42/03/34/1032420334.db2.gz ABOUOVDSWVRDCD-GDBMZVCRSA-N 1 2 351.878 2.654 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](Cc2c(F)cccc2F)C[C@H]1C ZINC001206779126 1032421761 /nfs/dbraw/zinc/42/17/61/1032421761.db2.gz ZBKFMQAWDNAMKZ-RDTXWAMCSA-N 1 2 352.425 2.884 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+](Cc2c(F)cccc2F)C[C@H]1C ZINC001206779126 1032421763 /nfs/dbraw/zinc/42/17/63/1032421763.db2.gz ZBKFMQAWDNAMKZ-RDTXWAMCSA-N 1 2 352.425 2.884 20 30 FFEDLO CCCC[C@@H](CNc1ncccc1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001114327091 1010101662 /nfs/dbraw/zinc/10/16/62/1010101662.db2.gz ILHIEFXXXJIBLO-ARFHVFGLSA-N 1 2 352.442 2.567 20 30 FFEDLO CCCC[C@@H](CNc1ncccc1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001114327091 1010101666 /nfs/dbraw/zinc/10/16/66/1010101666.db2.gz ILHIEFXXXJIBLO-ARFHVFGLSA-N 1 2 352.442 2.567 20 30 FFEDLO Cc1ccc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)cc1C#N ZINC000863456372 1010218110 /nfs/dbraw/zinc/21/81/10/1010218110.db2.gz QQMGNJZICSEUTP-UHFFFAOYSA-N 1 2 364.449 2.536 20 30 FFEDLO C#CC[C@@H](CCOC)NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000863783196 1010326179 /nfs/dbraw/zinc/32/61/79/1010326179.db2.gz KIEKSMXMLDROIG-SFHVURJKSA-N 1 2 352.438 2.555 20 30 FFEDLO C[C@@H]([NH2+]CCCN1c2ccccc2OCC1=O)c1cccc(C#N)c1O ZINC000866301593 1010973239 /nfs/dbraw/zinc/97/32/39/1010973239.db2.gz OZEKPYYTCHYXDF-CQSZACIVSA-N 1 2 351.406 2.730 20 30 FFEDLO N#Cc1cc(Oc2ccc(NC(=O)/C=C/C[NH+]3CCOCC3)cc2)ccn1 ZINC000868426880 1011294310 /nfs/dbraw/zinc/29/43/10/1011294310.db2.gz VNWWUPKGXYODAL-OWOJBTEDSA-N 1 2 364.405 2.572 20 30 FFEDLO C#CC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1)C(=O)OC ZINC001171593026 1011378222 /nfs/dbraw/zinc/37/82/22/1011378222.db2.gz IANBONAGIRNNKQ-PMPSAXMXSA-N 1 2 366.502 2.955 20 30 FFEDLO CCCCCC#CC(=O)N1CCCC2(C[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001274439818 1011444231 /nfs/dbraw/zinc/44/42/31/1011444231.db2.gz YGBUWKZNVQNWJP-UHFFFAOYSA-N 1 2 355.482 2.795 20 30 FFEDLO CC[C@@H]1C[C@H](N2CC[NH2+]C[C@@H]2C#N)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171821416 1011473118 /nfs/dbraw/zinc/47/31/18/1011473118.db2.gz SFOHDVQCYWENBE-HZMVEIRTSA-N 1 2 350.507 2.740 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@H]1Cc2cccc(F)c2C1 ZINC001171797583 1011484150 /nfs/dbraw/zinc/48/41/50/1011484150.db2.gz WRYZFSVGORGJHC-HNAYVOBHSA-N 1 2 356.445 2.706 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@H]1Cc2cccc(F)c2C1 ZINC001171797583 1011484157 /nfs/dbraw/zinc/48/41/57/1011484157.db2.gz WRYZFSVGORGJHC-HNAYVOBHSA-N 1 2 356.445 2.706 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH2+]C[C@H]2C#N)CC12CCCCC2 ZINC001172049497 1011607604 /nfs/dbraw/zinc/60/76/04/1011607604.db2.gz AMNTWNMUCWDLTO-DLBZAZTESA-N 1 2 362.518 2.886 20 30 FFEDLO CC(C)CC(=O)CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000828021661 1032579157 /nfs/dbraw/zinc/57/91/57/1032579157.db2.gz WULCRKGIIRVKBV-UHFFFAOYSA-N 1 2 356.426 2.934 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC000958557452 1011871652 /nfs/dbraw/zinc/87/16/52/1011871652.db2.gz HNXLFKLMWWIQKK-AUUYWEPGSA-N 1 2 366.465 2.886 20 30 FFEDLO C=C[C@@H]1C[C@]1([NH2+]C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C)C(=O)OCC ZINC001172811950 1012033091 /nfs/dbraw/zinc/03/30/91/1012033091.db2.gz FNSBKLRYFKXGDU-OUSUWRMNSA-N 1 2 362.470 2.790 20 30 FFEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)ncc1F)CC2 ZINC001275234657 1012122756 /nfs/dbraw/zinc/12/27/56/1012122756.db2.gz QJADIUKSOKAMHI-AWEZNQCLSA-N 1 2 364.852 2.896 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H](NCc2[nH+]cn3ccccc23)C[C@H]1C#N ZINC001172972754 1012142295 /nfs/dbraw/zinc/14/22/95/1012142295.db2.gz BZGUXVAKARXWCL-CABCVRRESA-N 1 2 355.442 2.716 20 30 FFEDLO C=CCOC(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CCC(OCC=C)CC1 ZINC001173319152 1012468477 /nfs/dbraw/zinc/46/84/77/1012468477.db2.gz ZZBZMVHGPCHDJY-JCYILVPMSA-N 1 2 367.486 2.919 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+]2CCc2c(Cl)nc(C)nc2Cl)C1=O ZINC001275532166 1012585550 /nfs/dbraw/zinc/58/55/50/1012585550.db2.gz IORGMNIBLYICOQ-KRWDZBQOSA-N 1 2 369.296 2.887 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2CCc2c(Cl)nc(C)nc2Cl)C1=O ZINC001275532166 1012585561 /nfs/dbraw/zinc/58/55/61/1012585561.db2.gz IORGMNIBLYICOQ-KRWDZBQOSA-N 1 2 369.296 2.887 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(F)c1)C2 ZINC001095226886 1012754237 /nfs/dbraw/zinc/75/42/37/1012754237.db2.gz DEQCEHHGZZTJHS-SQNIBIBYSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(F)c1)C2 ZINC001095226886 1012754252 /nfs/dbraw/zinc/75/42/52/1012754252.db2.gz DEQCEHHGZZTJHS-SQNIBIBYSA-N 1 2 350.397 2.628 20 30 FFEDLO C=CCOC(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173591776 1012762439 /nfs/dbraw/zinc/76/24/39/1012762439.db2.gz YNLINOBTIWZWQY-HVEKOLDVSA-N 1 2 350.459 2.878 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccn(CC(C)C)c1=O)C2 ZINC001097982091 1017128024 /nfs/dbraw/zinc/12/80/24/1017128024.db2.gz DLCIAUVBMRSFLT-OIISXLGYSA-N 1 2 363.889 2.592 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccn(CC(C)C)c1=O)C2 ZINC001097982091 1017128029 /nfs/dbraw/zinc/12/80/29/1017128029.db2.gz DLCIAUVBMRSFLT-OIISXLGYSA-N 1 2 363.889 2.592 20 30 FFEDLO C=CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccn(C)n3)C[C@H]21)c1ccccc1 ZINC001222037261 1032681848 /nfs/dbraw/zinc/68/18/48/1032681848.db2.gz YKLORNMMIYNFNM-HLAWJBBLSA-N 1 2 364.493 2.813 20 30 FFEDLO C=CC[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccn(C)n3)C[C@H]21)c1ccccc1 ZINC001222037261 1032681854 /nfs/dbraw/zinc/68/18/54/1032681854.db2.gz YKLORNMMIYNFNM-HLAWJBBLSA-N 1 2 364.493 2.813 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001055370970 1017366654 /nfs/dbraw/zinc/36/66/54/1017366654.db2.gz VRBSZYAHPGHZFU-NJYVYQBISA-N 1 2 374.488 2.852 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cn(C)nc1C(F)F ZINC001110898549 1017593674 /nfs/dbraw/zinc/59/36/74/1017593674.db2.gz JLWAHEDRUKLZNP-MCIONIFRSA-N 1 2 352.429 2.791 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cn(C)nc1C(F)F ZINC001110898549 1017593682 /nfs/dbraw/zinc/59/36/82/1017593682.db2.gz JLWAHEDRUKLZNP-MCIONIFRSA-N 1 2 352.429 2.791 20 30 FFEDLO CCCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)[nH]n1 ZINC001097617761 1017703147 /nfs/dbraw/zinc/70/31/47/1017703147.db2.gz GNCCJJIVDXEXST-QBIMZIAESA-N 1 2 369.494 2.831 20 30 FFEDLO CCCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)[nH]n1 ZINC001097617761 1017703157 /nfs/dbraw/zinc/70/31/57/1017703157.db2.gz GNCCJJIVDXEXST-QBIMZIAESA-N 1 2 369.494 2.831 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(=O)c3ccccc13)C2 ZINC001097630670 1017727712 /nfs/dbraw/zinc/72/77/12/1017727712.db2.gz MWGUZDGDAXYITF-JLZZUVOBSA-N 1 2 358.825 2.881 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(=O)c3ccccc13)C2 ZINC001097630670 1017727719 /nfs/dbraw/zinc/72/77/19/1017727719.db2.gz MWGUZDGDAXYITF-JLZZUVOBSA-N 1 2 358.825 2.881 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3C[C@H]3C(F)(F)F)CC2)cc1 ZINC000926680229 1018214282 /nfs/dbraw/zinc/21/42/82/1018214282.db2.gz LAQDEEMAKIVRDJ-JKSUJKDBSA-N 1 2 366.387 2.584 20 30 FFEDLO Cc1nc(NCC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)c2c([nH+]1)CCCC2 ZINC001053315300 1018246992 /nfs/dbraw/zinc/24/69/92/1018246992.db2.gz YDVXJCSWJAHEJV-IIAWOOMASA-N 1 2 355.486 2.720 20 30 FFEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CCNc1cccc(F)c1C#N ZINC001053362720 1018266085 /nfs/dbraw/zinc/26/60/85/1018266085.db2.gz ABGNHAVBBUUEER-HUUCEWRRSA-N 1 2 369.444 2.950 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(OC)nc1C ZINC001110933601 1018706050 /nfs/dbraw/zinc/70/60/50/1018706050.db2.gz OKGMNLNGYWLTQH-PILAGYSTSA-N 1 2 358.486 2.617 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(OC)nc1C ZINC001110933601 1018706063 /nfs/dbraw/zinc/70/60/63/1018706063.db2.gz OKGMNLNGYWLTQH-PILAGYSTSA-N 1 2 358.486 2.617 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)C(C)C ZINC001110934470 1018709201 /nfs/dbraw/zinc/70/92/01/1018709201.db2.gz FDMDLMBHPAVYKQ-MLHJIOFPSA-N 1 2 370.559 2.524 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)C(C)C ZINC001110934470 1018709209 /nfs/dbraw/zinc/70/92/09/1018709209.db2.gz FDMDLMBHPAVYKQ-MLHJIOFPSA-N 1 2 370.559 2.524 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001110936638 1018715125 /nfs/dbraw/zinc/71/51/25/1018715125.db2.gz YCEFAHRBBFAKLC-PIKADFDJSA-N 1 2 373.541 2.615 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001110936638 1018715134 /nfs/dbraw/zinc/71/51/34/1018715134.db2.gz YCEFAHRBBFAKLC-PIKADFDJSA-N 1 2 373.541 2.615 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001047061717 1018897285 /nfs/dbraw/zinc/89/72/85/1018897285.db2.gz DHMGZJSWBZAQMP-DDBAPUKQSA-N 1 2 370.497 2.950 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]2C)c1 ZINC001042473404 1019045535 /nfs/dbraw/zinc/04/55/35/1019045535.db2.gz RZEMPVXMQXIUIK-RDTXWAMCSA-N 1 2 363.465 2.539 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)ccn1 ZINC001098070256 1019306129 /nfs/dbraw/zinc/30/61/29/1019306129.db2.gz KCXBVXSCCLPQLY-NJYVYQBISA-N 1 2 363.436 2.916 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)ccn1 ZINC001098070256 1019306146 /nfs/dbraw/zinc/30/61/46/1019306146.db2.gz KCXBVXSCCLPQLY-NJYVYQBISA-N 1 2 363.436 2.916 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001068592432 1019312823 /nfs/dbraw/zinc/31/28/23/1019312823.db2.gz UQKRFAATXAPNDS-DZUCGIPZSA-N 1 2 356.470 2.560 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001047559490 1019386641 /nfs/dbraw/zinc/38/66/41/1019386641.db2.gz XOXCBQRJEWZHCW-ZMMAXQRCSA-N 1 2 358.486 2.853 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)c1ncccn1 ZINC001096217900 1019408413 /nfs/dbraw/zinc/40/84/13/1019408413.db2.gz VGODADBYONJXMC-SQNIBIBYSA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)c1ncccn1 ZINC001096217900 1019408420 /nfs/dbraw/zinc/40/84/20/1019408420.db2.gz VGODADBYONJXMC-SQNIBIBYSA-N 1 2 366.852 2.517 20 30 FFEDLO C=C(C)CCC(=O)N1CCC(CC)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001069410582 1019457088 /nfs/dbraw/zinc/45/70/88/1019457088.db2.gz DIHLCPZWTZUGRR-HZPDHXFCSA-N 1 2 358.486 2.757 20 30 FFEDLO C=C(C)CCC(=O)N1CCC(CC)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001069410582 1019457102 /nfs/dbraw/zinc/45/71/02/1019457102.db2.gz DIHLCPZWTZUGRR-HZPDHXFCSA-N 1 2 358.486 2.757 20 30 FFEDLO COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)o1 ZINC001098095448 1019466261 /nfs/dbraw/zinc/46/62/61/1019466261.db2.gz ROULMVASJUMACO-ZACQAIPSSA-N 1 2 351.406 2.695 20 30 FFEDLO COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)o1 ZINC001098095448 1019466270 /nfs/dbraw/zinc/46/62/70/1019466270.db2.gz ROULMVASJUMACO-ZACQAIPSSA-N 1 2 351.406 2.695 20 30 FFEDLO COc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001095959585 1019595018 /nfs/dbraw/zinc/59/50/18/1019595018.db2.gz PGKKCHHUIPCYRI-DQYPLSBCSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001095959585 1019595028 /nfs/dbraw/zinc/59/50/28/1019595028.db2.gz PGKKCHHUIPCYRI-DQYPLSBCSA-N 1 2 368.462 2.559 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2cccc(OC)c2)C1 ZINC001044037178 1019640657 /nfs/dbraw/zinc/64/06/57/1019640657.db2.gz DJFLUGRFISHYFV-YSSFQJQWSA-N 1 2 358.482 2.880 20 30 FFEDLO C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2cccc(Cl)c2)CCOC1 ZINC001098105346 1019750672 /nfs/dbraw/zinc/75/06/72/1019750672.db2.gz ZEZPLPMBPXCYRL-BNDYYXHWSA-N 1 2 372.896 2.840 20 30 FFEDLO C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2cccc(Cl)c2)CCOC1 ZINC001098105346 1019750688 /nfs/dbraw/zinc/75/06/88/1019750688.db2.gz ZEZPLPMBPXCYRL-BNDYYXHWSA-N 1 2 372.896 2.840 20 30 FFEDLO Cc1ccc(C#N)cc1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000930079702 1019862853 /nfs/dbraw/zinc/86/28/53/1019862853.db2.gz IGXVLXNLFBMQFW-UHFFFAOYSA-N 1 2 362.433 2.507 20 30 FFEDLO COc1ccc(F)cc1-c1cncc(C[NH+]2CCN(CCC#N)CC2)c1 ZINC000930116846 1019878089 /nfs/dbraw/zinc/87/80/89/1019878089.db2.gz RQGNLWQCIVJCGJ-UHFFFAOYSA-N 1 2 354.429 2.928 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(CC)CC)CC1 ZINC001110982081 1019878792 /nfs/dbraw/zinc/87/87/92/1019878792.db2.gz HGLZXNPDNQHHFN-QRVBRYPASA-N 1 2 361.530 2.759 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(CC)CC)CC1 ZINC001110982081 1019878806 /nfs/dbraw/zinc/87/88/06/1019878806.db2.gz HGLZXNPDNQHHFN-QRVBRYPASA-N 1 2 361.530 2.759 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC3CCCC3)n2Cc2ccccc2)CC1 ZINC000802212681 1019890977 /nfs/dbraw/zinc/89/09/77/1019890977.db2.gz AEWHGUMIJMKJEP-UHFFFAOYSA-N 1 2 363.509 2.814 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001070387596 1019944862 /nfs/dbraw/zinc/94/48/62/1019944862.db2.gz YMBFLHGXUZMGTC-HYVNUMGLSA-N 1 2 363.889 2.950 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001070387596 1019944866 /nfs/dbraw/zinc/94/48/66/1019944866.db2.gz YMBFLHGXUZMGTC-HYVNUMGLSA-N 1 2 363.889 2.950 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)C(C)C ZINC001110985329 1019952539 /nfs/dbraw/zinc/95/25/39/1019952539.db2.gz VRMNFMHSBBXSFK-VXNCWWDNSA-N 1 2 370.559 2.524 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)C(C)C ZINC001110985329 1019952550 /nfs/dbraw/zinc/95/25/50/1019952550.db2.gz VRMNFMHSBBXSFK-VXNCWWDNSA-N 1 2 370.559 2.524 20 30 FFEDLO COC(=O)c1cccc(COC(=O)[C@H](c2ccccc2)[NH+](C)C)c1C#N ZINC000780088168 1020004144 /nfs/dbraw/zinc/00/41/44/1020004144.db2.gz OCZRQZLCEVWFHI-SFHVURJKSA-N 1 2 352.390 2.691 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)cc1 ZINC000930922109 1020240035 /nfs/dbraw/zinc/24/00/35/1020240035.db2.gz CBBSINAZOVMDOU-JOCHJYFZSA-N 1 2 358.445 2.949 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)cc1 ZINC000930922109 1020240043 /nfs/dbraw/zinc/24/00/43/1020240043.db2.gz CBBSINAZOVMDOU-JOCHJYFZSA-N 1 2 358.445 2.949 20 30 FFEDLO CC(C)C#CC(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(C(F)F)c3)C[C@@H]21 ZINC001217852208 1032887076 /nfs/dbraw/zinc/88/70/76/1032887076.db2.gz GFZUFNMWNHOUFV-ZWKOTPCHSA-N 1 2 362.420 2.695 20 30 FFEDLO CC(C)C#CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(C(F)F)c3)C[C@@H]21 ZINC001217852208 1032887087 /nfs/dbraw/zinc/88/70/87/1032887087.db2.gz GFZUFNMWNHOUFV-ZWKOTPCHSA-N 1 2 362.420 2.695 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)cn1 ZINC001096382230 1020302837 /nfs/dbraw/zinc/30/28/37/1020302837.db2.gz CZLUAZROFPSLTK-GIVPXCGWSA-N 1 2 374.419 2.609 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)cn1 ZINC001096382230 1020302846 /nfs/dbraw/zinc/30/28/46/1020302846.db2.gz CZLUAZROFPSLTK-GIVPXCGWSA-N 1 2 374.419 2.609 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c(C#N)c1 ZINC001137706667 1032896732 /nfs/dbraw/zinc/89/67/32/1032896732.db2.gz LSMDKYKSXITFDW-MRXNPFEDSA-N 1 2 365.408 2.936 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c(C#N)c1 ZINC001137706667 1032896749 /nfs/dbraw/zinc/89/67/49/1032896749.db2.gz LSMDKYKSXITFDW-MRXNPFEDSA-N 1 2 365.408 2.936 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001073206794 1020424277 /nfs/dbraw/zinc/42/42/77/1020424277.db2.gz WHHDYDVIXDTXOU-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001073206794 1020424282 /nfs/dbraw/zinc/42/42/82/1020424282.db2.gz WHHDYDVIXDTXOU-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cccc(C#Cc3ccccc3)c2)CCO1 ZINC000726261520 1020447158 /nfs/dbraw/zinc/44/71/58/1020447158.db2.gz UOWZUTCAZDNELI-GOSISDBHSA-N 1 2 363.461 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cccc(C#Cc3ccccc3)c2)CCO1 ZINC000726261520 1020447167 /nfs/dbraw/zinc/44/71/67/1020447167.db2.gz UOWZUTCAZDNELI-GOSISDBHSA-N 1 2 363.461 2.929 20 30 FFEDLO CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)c(C)n1 ZINC001096080296 1020540808 /nfs/dbraw/zinc/54/08/08/1020540808.db2.gz CBCDSWZZSSFLBV-GIVPXCGWSA-N 1 2 362.477 2.598 20 30 FFEDLO CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)c(C)n1 ZINC001096080296 1020540814 /nfs/dbraw/zinc/54/08/14/1020540814.db2.gz CBCDSWZZSSFLBV-GIVPXCGWSA-N 1 2 362.477 2.598 20 30 FFEDLO Cc1nc([C@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)no1 ZINC000931948455 1020640980 /nfs/dbraw/zinc/64/09/80/1020640980.db2.gz JLGACJPTHMTPLA-HIFRSBDPSA-N 1 2 371.416 2.642 20 30 FFEDLO Cc1nc([C@H]2CC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)no1 ZINC000931948455 1020640983 /nfs/dbraw/zinc/64/09/83/1020640983.db2.gz JLGACJPTHMTPLA-HIFRSBDPSA-N 1 2 371.416 2.642 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)o1 ZINC001098160087 1020698645 /nfs/dbraw/zinc/69/86/45/1020698645.db2.gz WDRKVLMQUVHUJM-KURKYZTESA-N 1 2 364.449 2.952 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)o1 ZINC001098160087 1020698648 /nfs/dbraw/zinc/69/86/48/1020698648.db2.gz WDRKVLMQUVHUJM-KURKYZTESA-N 1 2 364.449 2.952 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001217966175 1032923324 /nfs/dbraw/zinc/92/33/24/1032923324.db2.gz JCWWVFPZNZTMSV-FCHUYYIVSA-N 1 2 364.489 2.718 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001217966175 1032923335 /nfs/dbraw/zinc/92/33/35/1032923335.db2.gz JCWWVFPZNZTMSV-FCHUYYIVSA-N 1 2 364.489 2.718 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3ccn(C)n3)C2)c(C#N)c1C ZINC000932136297 1020716525 /nfs/dbraw/zinc/71/65/25/1020716525.db2.gz ZHXUQKKTFYHHNK-HIFRSBDPSA-N 1 2 355.442 2.708 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3ccn(C)n3)C2)c(C#N)c1C ZINC000932136297 1020716535 /nfs/dbraw/zinc/71/65/35/1020716535.db2.gz ZHXUQKKTFYHHNK-HIFRSBDPSA-N 1 2 355.442 2.708 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)no1 ZINC001098243140 1020757864 /nfs/dbraw/zinc/75/78/64/1020757864.db2.gz DVMRXIYFRPWTGO-POAQFYNOSA-N 1 2 367.424 2.763 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)no1 ZINC001098243140 1020757870 /nfs/dbraw/zinc/75/78/70/1020757870.db2.gz DVMRXIYFRPWTGO-POAQFYNOSA-N 1 2 367.424 2.763 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(OC)c1OC)C2 ZINC001098275075 1020783559 /nfs/dbraw/zinc/78/35/59/1020783559.db2.gz MJPFBVKUXVBZRH-YUELXQCFSA-N 1 2 350.846 2.791 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(OC)c1OC)C2 ZINC001098275075 1020783562 /nfs/dbraw/zinc/78/35/62/1020783562.db2.gz MJPFBVKUXVBZRH-YUELXQCFSA-N 1 2 350.846 2.791 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(CC)o3)[C@H]2C1 ZINC001222392772 1032935681 /nfs/dbraw/zinc/93/56/81/1032935681.db2.gz QAVVXRIBKXZQAN-JZXOWHBKSA-N 1 2 361.486 2.641 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(CC)o3)[C@H]2C1 ZINC001222392772 1032935691 /nfs/dbraw/zinc/93/56/91/1032935691.db2.gz QAVVXRIBKXZQAN-JZXOWHBKSA-N 1 2 361.486 2.641 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCN1C(=O)CCC)C2 ZINC001098455455 1020922649 /nfs/dbraw/zinc/92/26/49/1020922649.db2.gz SXTUGWPKCNHARF-WCXIOVBPSA-N 1 2 367.921 2.642 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCN1C(=O)CCC)C2 ZINC001098455455 1020922652 /nfs/dbraw/zinc/92/26/52/1020922652.db2.gz SXTUGWPKCNHARF-WCXIOVBPSA-N 1 2 367.921 2.642 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NCc1ccco1 ZINC001111072603 1021193853 /nfs/dbraw/zinc/19/38/53/1021193853.db2.gz OGXGPHUDZFMXST-AHCXZYCDSA-N 1 2 373.497 2.608 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NCc1ccco1 ZINC001111072603 1021193856 /nfs/dbraw/zinc/19/38/56/1021193856.db2.gz OGXGPHUDZFMXST-AHCXZYCDSA-N 1 2 373.497 2.608 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@H](C)c2nncn2C)C3)CC1 ZINC001099012723 1021591841 /nfs/dbraw/zinc/59/18/41/1021591841.db2.gz KTGMPDDOVGDQKK-SYNHAJSKSA-N 1 2 357.502 2.593 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@H](C)c2nncn2C)C3)CC1 ZINC001099012723 1021591852 /nfs/dbraw/zinc/59/18/52/1021591852.db2.gz KTGMPDDOVGDQKK-SYNHAJSKSA-N 1 2 357.502 2.593 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001014324574 1021781733 /nfs/dbraw/zinc/78/17/33/1021781733.db2.gz KYNTZYUPOJOKDB-SZUSHISOSA-N 1 2 370.497 2.755 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001014324574 1021781749 /nfs/dbraw/zinc/78/17/49/1021781749.db2.gz KYNTZYUPOJOKDB-SZUSHISOSA-N 1 2 370.497 2.755 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)C[NH2+]1 ZINC001218171980 1033027560 /nfs/dbraw/zinc/02/75/60/1033027560.db2.gz FGXRHBKVAZTUOJ-VVUIVXFESA-N 1 2 351.402 2.865 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)COC(C)(C)C)C[C@@H]21 ZINC001222556973 1033049819 /nfs/dbraw/zinc/04/98/19/1033049819.db2.gz XWIOEMJBZRGFHN-KGLIPLIRSA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)COC(C)(C)C)C[C@@H]21 ZINC001222556973 1033049830 /nfs/dbraw/zinc/04/98/30/1033049830.db2.gz XWIOEMJBZRGFHN-KGLIPLIRSA-N 1 2 359.308 2.633 20 30 FFEDLO COCCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001111213578 1022436221 /nfs/dbraw/zinc/43/62/21/1022436221.db2.gz BTZOXFZLUXFUIM-QRQLOZEOSA-N 1 2 373.472 2.982 20 30 FFEDLO COCCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001111213578 1022436227 /nfs/dbraw/zinc/43/62/27/1022436227.db2.gz BTZOXFZLUXFUIM-QRQLOZEOSA-N 1 2 373.472 2.982 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OCCOC)cc1)C2 ZINC001111241597 1022562909 /nfs/dbraw/zinc/56/29/09/1022562909.db2.gz BRBIETUIXSNGSW-NXHRZFHOSA-N 1 2 364.873 2.799 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OCCOC)cc1)C2 ZINC001111241597 1022562920 /nfs/dbraw/zinc/56/29/20/1022562920.db2.gz BRBIETUIXSNGSW-NXHRZFHOSA-N 1 2 364.873 2.799 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCc1c(F)cccc1F ZINC001038265858 1022640248 /nfs/dbraw/zinc/64/02/48/1022640248.db2.gz HSRAYFPOUYERLZ-OGWOLHLISA-N 1 2 364.436 2.679 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCc1c(F)cccc1F ZINC001038265858 1022640256 /nfs/dbraw/zinc/64/02/56/1022640256.db2.gz HSRAYFPOUYERLZ-OGWOLHLISA-N 1 2 364.436 2.679 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1c(C)onc1CC ZINC001038797966 1022710642 /nfs/dbraw/zinc/71/06/42/1022710642.db2.gz WNSJDFJPKJZPAZ-GJYPPUQNSA-N 1 2 361.486 2.607 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1c(C)onc1CC ZINC001038797966 1022710662 /nfs/dbraw/zinc/71/06/62/1022710662.db2.gz WNSJDFJPKJZPAZ-GJYPPUQNSA-N 1 2 361.486 2.607 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(F)c[nH]2)C3)ccc1F ZINC001095778106 1022829567 /nfs/dbraw/zinc/82/95/67/1022829567.db2.gz JMUNMKVUJRIXMU-HFTRVMKXSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(F)c[nH]2)C3)ccc1F ZINC001095778106 1022829586 /nfs/dbraw/zinc/82/95/86/1022829586.db2.gz JMUNMKVUJRIXMU-HFTRVMKXSA-N 1 2 356.376 2.700 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2CC[N@H+](Cc3cnc(Cl)s3)[C@H]2C1 ZINC001222652111 1033092921 /nfs/dbraw/zinc/09/29/21/1033092921.db2.gz SYDHYFSMSHQMNU-HIFRSBDPSA-N 1 2 351.903 2.879 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2CC[N@@H+](Cc3cnc(Cl)s3)[C@H]2C1 ZINC001222652111 1033092935 /nfs/dbraw/zinc/09/29/35/1033092935.db2.gz SYDHYFSMSHQMNU-HIFRSBDPSA-N 1 2 351.903 2.879 20 30 FFEDLO COC(=O)[C@H]1[NH2+]CC[C@H]1Oc1ccccc1/C=C/C(=O)c1ccccc1 ZINC001218347693 1033116487 /nfs/dbraw/zinc/11/64/87/1033116487.db2.gz SZOUSLLQPGOACS-UBGMWTFPSA-N 1 2 351.402 2.865 20 30 FFEDLO C=C(C)Cn1c(-c2cocn2)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001122560474 1023339337 /nfs/dbraw/zinc/33/93/37/1023339337.db2.gz HTCLBGPDYCJPGG-UHFFFAOYSA-N 1 2 365.441 2.533 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001122625802 1023376460 /nfs/dbraw/zinc/37/64/60/1023376460.db2.gz LQUTZXCZHBSOTG-ZWKOTPCHSA-N 1 2 359.518 2.988 20 30 FFEDLO C(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000753932767 1023401461 /nfs/dbraw/zinc/40/14/61/1023401461.db2.gz AJSPEXDBKCOADO-ZIAGYGMSSA-N 1 2 369.450 2.733 20 30 FFEDLO C=C(C)C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000948929903 1023417044 /nfs/dbraw/zinc/41/70/44/1023417044.db2.gz UOSTYHCFKPHXID-QWFCFKBJSA-N 1 2 350.466 2.805 20 30 FFEDLO C=C(C)C[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000948929903 1023417047 /nfs/dbraw/zinc/41/70/47/1023417047.db2.gz UOSTYHCFKPHXID-QWFCFKBJSA-N 1 2 350.466 2.805 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC[N@@H+]2C)n1C[C@H]1CCOC1 ZINC001123114413 1023641466 /nfs/dbraw/zinc/64/14/66/1023641466.db2.gz VJOLVQBIHLDQES-MSOLQXFVSA-N 1 2 374.533 2.847 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC[N@H+]2C)n1C[C@H]1CCOC1 ZINC001123114413 1023641471 /nfs/dbraw/zinc/64/14/71/1023641471.db2.gz VJOLVQBIHLDQES-MSOLQXFVSA-N 1 2 374.533 2.847 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001222767241 1033150328 /nfs/dbraw/zinc/15/03/28/1033150328.db2.gz BVIQYQAZSYKYCL-SJORKVTESA-N 1 2 359.518 2.884 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001222767241 1033150334 /nfs/dbraw/zinc/15/03/34/1033150334.db2.gz BVIQYQAZSYKYCL-SJORKVTESA-N 1 2 359.518 2.884 20 30 FFEDLO C[C@H](CC#N)N(C)c1nnc(C[NH+]2CCCCC2)n1C[C@@H]1CCCCO1 ZINC001123203189 1023684493 /nfs/dbraw/zinc/68/44/93/1023684493.db2.gz NKYZPGWSHSONFU-SJORKVTESA-N 1 2 360.506 2.571 20 30 FFEDLO Cc1ccccc1CN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001121323867 1023707997 /nfs/dbraw/zinc/70/79/97/1023707997.db2.gz HACFIMMKJOGRAN-UHFFFAOYSA-N 1 2 352.486 2.853 20 30 FFEDLO C#CC1CCN(c2nnc([C@H]3CCCC[N@H+]3C)n2C[C@@H]2CCCCO2)CC1 ZINC001123304164 1023733284 /nfs/dbraw/zinc/73/32/84/1023733284.db2.gz PIRNAHFCZKFTQI-RBUKOAKNSA-N 1 2 371.529 2.854 20 30 FFEDLO C#CC1CCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2C[C@@H]2CCCCO2)CC1 ZINC001123304164 1023733289 /nfs/dbraw/zinc/73/32/89/1023733289.db2.gz PIRNAHFCZKFTQI-RBUKOAKNSA-N 1 2 371.529 2.854 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(CCC#N)CC1CC1 ZINC001121492406 1023808269 /nfs/dbraw/zinc/80/82/69/1023808269.db2.gz GDNBBHWHHACUCZ-ZWKOTPCHSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(CCC#N)CC1CC1 ZINC001121492406 1023808278 /nfs/dbraw/zinc/80/82/78/1023808278.db2.gz GDNBBHWHHACUCZ-ZWKOTPCHSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(CCC#N)CC1CC1 ZINC001121492403 1023808506 /nfs/dbraw/zinc/80/85/06/1023808506.db2.gz GDNBBHWHHACUCZ-MSOLQXFVSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(CCC#N)CC1CC1 ZINC001121492403 1023808514 /nfs/dbraw/zinc/80/85/14/1023808514.db2.gz GDNBBHWHHACUCZ-MSOLQXFVSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001121620743 1023885871 /nfs/dbraw/zinc/88/58/71/1023885871.db2.gz SDTSNRDJTXTWBY-UHFFFAOYSA-N 1 2 368.407 2.957 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](C2CC2)C1 ZINC001121684158 1023925330 /nfs/dbraw/zinc/92/53/30/1023925330.db2.gz GCXVIPHAATWJQG-SFHVURJKSA-N 1 2 354.502 2.793 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000078695667 1023926520 /nfs/dbraw/zinc/92/65/20/1023926520.db2.gz QIKFUMJOOIXYRA-ZIAGYGMSSA-N 1 2 353.422 2.698 20 30 FFEDLO CC[C@@H]1CN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC)C[C@@H](CC)O1 ZINC001121712869 1023940753 /nfs/dbraw/zinc/94/07/53/1023940753.db2.gz RSECPDJHNVIBBP-QZTJIDSGSA-N 1 2 374.533 2.785 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C1CCC1)C2 ZINC001111328934 1023945364 /nfs/dbraw/zinc/94/53/64/1023945364.db2.gz FOUNKHUGXODZNK-AHRSYUTCSA-N 1 2 367.493 2.591 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C1CCC1)C2 ZINC001111328934 1023945369 /nfs/dbraw/zinc/94/53/69/1023945369.db2.gz FOUNKHUGXODZNK-AHRSYUTCSA-N 1 2 367.493 2.591 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2C[N@H+](Cc3cnn(-c4ccccc4)n3)C[C@@]2(C)C1 ZINC001101165462 1023982195 /nfs/dbraw/zinc/98/21/95/1023982195.db2.gz YSSMMGOGJWTLMO-UTKZUKDTSA-N 1 2 365.481 2.514 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+](Cc3cnn(-c4ccccc4)n3)C[C@@]2(C)C1 ZINC001101165462 1023982210 /nfs/dbraw/zinc/98/22/10/1023982210.db2.gz YSSMMGOGJWTLMO-UTKZUKDTSA-N 1 2 365.481 2.514 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+](Cc3cc(C(F)(F)F)nn3C)C[C@@]2(C)C1 ZINC001101168442 1023989693 /nfs/dbraw/zinc/98/96/93/1023989693.db2.gz DUCADWVVWGHUJB-DYVFJYSZSA-N 1 2 370.419 2.685 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2C[N@H+](Cc3cc(C(F)(F)F)nn3C)C[C@@]2(C)C1 ZINC001101168442 1023989704 /nfs/dbraw/zinc/98/97/04/1023989704.db2.gz DUCADWVVWGHUJB-DYVFJYSZSA-N 1 2 370.419 2.685 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C3CC3)on1)C2 ZINC001095830072 1024154556 /nfs/dbraw/zinc/15/45/56/1024154556.db2.gz QAYJXEBRHZDBFS-AOIWGVFYSA-N 1 2 362.433 2.959 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C3CC3)on1)C2 ZINC001095830072 1024154564 /nfs/dbraw/zinc/15/45/64/1024154564.db2.gz QAYJXEBRHZDBFS-AOIWGVFYSA-N 1 2 362.433 2.959 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001101337761 1024486155 /nfs/dbraw/zinc/48/61/55/1024486155.db2.gz KNABMIDRANPRKN-KKVAFCGZSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001101337761 1024486162 /nfs/dbraw/zinc/48/61/62/1024486162.db2.gz KNABMIDRANPRKN-KKVAFCGZSA-N 1 2 357.502 2.565 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C)s4)C[C@@]3(C)C2)CCC1 ZINC001101354051 1024529941 /nfs/dbraw/zinc/52/99/41/1024529941.db2.gz NJIBCCXDHCWSNZ-QAPCUYQASA-N 1 2 360.527 2.873 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C)s4)C[C@@]3(C)C2)CCC1 ZINC001101354051 1024529948 /nfs/dbraw/zinc/52/99/48/1024529948.db2.gz NJIBCCXDHCWSNZ-QAPCUYQASA-N 1 2 360.527 2.873 20 30 FFEDLO Cc1cccc(OCCON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000759759830 1024771092 /nfs/dbraw/zinc/77/10/92/1024771092.db2.gz UMJLWSJXCWXRKW-UHFFFAOYSA-N 1 2 369.465 2.543 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(OC)ns2)cc1 ZINC001095854016 1025095476 /nfs/dbraw/zinc/09/54/76/1025095476.db2.gz HIKNIVOBZVNBPM-NJAFHUGGSA-N 1 2 367.474 2.668 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(OC)ns2)cc1 ZINC001095854016 1025095485 /nfs/dbraw/zinc/09/54/85/1025095485.db2.gz HIKNIVOBZVNBPM-NJAFHUGGSA-N 1 2 367.474 2.668 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nc(C)n(C)c3c1)C2 ZINC001095861186 1025111620 /nfs/dbraw/zinc/11/16/20/1025111620.db2.gz BUMIISZMYWMDTE-PVAVHDDUSA-N 1 2 358.873 2.969 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nc(C)n(C)c3c1)C2 ZINC001095861186 1025111629 /nfs/dbraw/zinc/11/16/29/1025111629.db2.gz BUMIISZMYWMDTE-PVAVHDDUSA-N 1 2 358.873 2.969 20 30 FFEDLO CC(C)NC(=O)N[C@H]1CCC[N@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141113578 1025474339 /nfs/dbraw/zinc/47/43/39/1025474339.db2.gz LBKOOAHUFRLTMF-JTQLQIEISA-N 1 2 355.895 2.527 20 30 FFEDLO CC(C)NC(=O)N[C@H]1CCC[N@@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141113578 1025474344 /nfs/dbraw/zinc/47/43/44/1025474344.db2.gz LBKOOAHUFRLTMF-JTQLQIEISA-N 1 2 355.895 2.527 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCN(c1cc[nH+]c(C)n1)C(C)C ZINC001102146439 1025483440 /nfs/dbraw/zinc/48/34/40/1025483440.db2.gz QAVXWIXRVYZXDX-HKUYNNGSSA-N 1 2 360.502 2.877 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141142876 1025515124 /nfs/dbraw/zinc/51/51/24/1025515124.db2.gz FAQXQDVBPUYVFX-LJQANCHMSA-N 1 2 368.481 2.551 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141142876 1025515134 /nfs/dbraw/zinc/51/51/34/1025515134.db2.gz FAQXQDVBPUYVFX-LJQANCHMSA-N 1 2 368.481 2.551 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001102264476 1025665861 /nfs/dbraw/zinc/66/58/61/1025665861.db2.gz MDDJFQGSNFOREV-QLFBSQMISA-N 1 2 366.531 2.723 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001102264476 1025665873 /nfs/dbraw/zinc/66/58/73/1025665873.db2.gz MDDJFQGSNFOREV-QLFBSQMISA-N 1 2 366.531 2.723 20 30 FFEDLO C=C[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2csnn2)C[C@H]1C)c1ccccc1 ZINC001102593483 1026377964 /nfs/dbraw/zinc/37/79/64/1026377964.db2.gz WXBBCOMTSPOBHS-QGPMSJSTSA-N 1 2 356.495 2.692 20 30 FFEDLO C=C[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2csnn2)C[C@H]1C)c1ccccc1 ZINC001102593483 1026377979 /nfs/dbraw/zinc/37/79/79/1026377979.db2.gz WXBBCOMTSPOBHS-QGPMSJSTSA-N 1 2 356.495 2.692 20 30 FFEDLO CCCN1C(=O)CC[C@@H](C(=O)O[C@H]2CCC[C@H](C#N)C2)[C@@H]1c1c[nH+]cn1C ZINC000839058257 1026574268 /nfs/dbraw/zinc/57/42/68/1026574268.db2.gz JQHBHDXHNHQNAT-YIOZNXECSA-N 1 2 372.469 2.735 20 30 FFEDLO C#CC[N@@H+](Cc1nc(N)nc(Nc2ccccc2OC)n1)C1CCCC1 ZINC000839502379 1026703400 /nfs/dbraw/zinc/70/34/00/1026703400.db2.gz IPQZHPHFCCDQEX-UHFFFAOYSA-N 1 2 352.442 2.584 20 30 FFEDLO C#CC[N@H+](Cc1nc(N)nc(Nc2ccccc2OC)n1)C1CCCC1 ZINC000839502379 1026703410 /nfs/dbraw/zinc/70/34/10/1026703410.db2.gz IPQZHPHFCCDQEX-UHFFFAOYSA-N 1 2 352.442 2.584 20 30 FFEDLO Cc1nnc([C@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)[nH]1 ZINC000839660915 1026781450 /nfs/dbraw/zinc/78/14/50/1026781450.db2.gz ZQKDUMHIPAJHIQ-WBVHZDCISA-N 1 2 366.469 2.546 20 30 FFEDLO Cc1nnc([C@H]2CC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)[nH]1 ZINC000839660915 1026781461 /nfs/dbraw/zinc/78/14/61/1026781461.db2.gz ZQKDUMHIPAJHIQ-WBVHZDCISA-N 1 2 366.469 2.546 20 30 FFEDLO Cc1n[nH]c([C@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)n1 ZINC000839660915 1026781467 /nfs/dbraw/zinc/78/14/67/1026781467.db2.gz ZQKDUMHIPAJHIQ-WBVHZDCISA-N 1 2 366.469 2.546 20 30 FFEDLO Cc1n[nH]c([C@H]2CC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)n1 ZINC000839660915 1026781475 /nfs/dbraw/zinc/78/14/75/1026781475.db2.gz ZQKDUMHIPAJHIQ-WBVHZDCISA-N 1 2 366.469 2.546 20 30 FFEDLO C#CC[N@@H+](CN1CCN(Cc2cccnc2)C1=O)[C@H]1CCc2ccccc21 ZINC000839964592 1026885555 /nfs/dbraw/zinc/88/55/55/1026885555.db2.gz QXZPPBPHXWWPIU-NRFANRHFSA-N 1 2 360.461 2.899 20 30 FFEDLO C#CC[N@H+](CN1CCN(Cc2cccnc2)C1=O)[C@H]1CCc2ccccc21 ZINC000839964592 1026885560 /nfs/dbraw/zinc/88/55/60/1026885560.db2.gz QXZPPBPHXWWPIU-NRFANRHFSA-N 1 2 360.461 2.899 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+](CN3CCN(Cc4cccnc4)C3=O)CC2)cc1 ZINC000840038398 1026924190 /nfs/dbraw/zinc/92/41/90/1026924190.db2.gz OSLBTOCMEHBCOK-UHFFFAOYSA-N 1 2 373.460 2.938 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+](CN3CCN(Cc4cccnc4)C3=O)CC2)cc1 ZINC000840038398 1026924195 /nfs/dbraw/zinc/92/41/95/1026924195.db2.gz OSLBTOCMEHBCOK-UHFFFAOYSA-N 1 2 373.460 2.938 20 30 FFEDLO C#CCC1(C(=O)NCC[C@@H]2C[N@@H+](Cc3noc(C4CC4)n3)C[C@H]2C)CCC1 ZINC001103074285 1026934872 /nfs/dbraw/zinc/93/48/72/1026934872.db2.gz AIQVOOOGCZWQBU-NVXWUHKLSA-N 1 2 370.497 2.715 20 30 FFEDLO C#CCC1(C(=O)NCC[C@@H]2C[N@H+](Cc3noc(C4CC4)n3)C[C@H]2C)CCC1 ZINC001103074285 1026934880 /nfs/dbraw/zinc/93/48/80/1026934880.db2.gz AIQVOOOGCZWQBU-NVXWUHKLSA-N 1 2 370.497 2.715 20 30 FFEDLO Cc1ccn(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)c1C#N ZINC000840122275 1026968744 /nfs/dbraw/zinc/96/87/44/1026968744.db2.gz CRTSBURZRHUFJK-MRXNPFEDSA-N 1 2 352.394 2.774 20 30 FFEDLO Cc1ccn(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)c1C#N ZINC000840122275 1026968750 /nfs/dbraw/zinc/96/87/50/1026968750.db2.gz CRTSBURZRHUFJK-MRXNPFEDSA-N 1 2 352.394 2.774 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N[C@H](CCC)c2ccccc2)nn1 ZINC000640855519 1026978383 /nfs/dbraw/zinc/97/83/83/1026978383.db2.gz QZWRXSHEELDFNV-QFBILLFUSA-N 1 2 353.470 2.610 20 30 FFEDLO C[C@@H]1C[N@H+](C2CN(Cc3ccc(Br)cc3C#N)C2)C[C@H](C)O1 ZINC001141818501 1027009833 /nfs/dbraw/zinc/00/98/33/1027009833.db2.gz GNJMJECUSXIEOG-BETUJISGSA-N 1 2 364.287 2.614 20 30 FFEDLO C[C@@H]1C[N@@H+](C2CN(Cc3ccc(Br)cc3C#N)C2)C[C@H](C)O1 ZINC001141818501 1027009838 /nfs/dbraw/zinc/00/98/38/1027009838.db2.gz GNJMJECUSXIEOG-BETUJISGSA-N 1 2 364.287 2.614 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nn1 ZINC000640917720 1027029757 /nfs/dbraw/zinc/02/97/57/1027029757.db2.gz XSNCXDOWSUROEN-CABCVRRESA-N 1 2 365.437 2.576 20 30 FFEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1 ZINC000091923645 1027135148 /nfs/dbraw/zinc/13/51/48/1027135148.db2.gz NTWAUDYOKTUNCN-MRXNPFEDSA-N 1 2 365.433 2.641 20 30 FFEDLO CSc1nc(C[N@@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)ccc1C#N ZINC001141945770 1027199225 /nfs/dbraw/zinc/19/92/25/1027199225.db2.gz LYIFSONDYCYAEE-KRWDZBQOSA-N 1 2 364.474 2.905 20 30 FFEDLO CSc1nc(C[N@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)ccc1C#N ZINC001141945770 1027199237 /nfs/dbraw/zinc/19/92/37/1027199237.db2.gz LYIFSONDYCYAEE-KRWDZBQOSA-N 1 2 364.474 2.905 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCC1=CC[N@H+](Cc2ncc(C)o2)CC1 ZINC001160156641 1027615102 /nfs/dbraw/zinc/61/51/02/1027615102.db2.gz VULZUXPAXDUGKV-MSOLQXFVSA-N 1 2 359.470 2.603 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCC1=CC[N@@H+](Cc2ncc(C)o2)CC1 ZINC001160156641 1027615114 /nfs/dbraw/zinc/61/51/14/1027615114.db2.gz VULZUXPAXDUGKV-MSOLQXFVSA-N 1 2 359.470 2.603 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@](C)(CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001103578155 1027707493 /nfs/dbraw/zinc/70/74/93/1027707493.db2.gz IBKBXBWDJCKCNV-LLGFUMIMSA-N 1 2 370.497 2.950 20 30 FFEDLO N#Cc1cccc([C@@H]2CN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC001153359932 1027849965 /nfs/dbraw/zinc/84/99/65/1027849965.db2.gz ZETRTOANSSMDNU-NRFANRHFSA-N 1 2 372.428 2.887 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC1=CC[N@H+](Cc2ncc(C3CC3)o2)CC1 ZINC001161257888 1028099280 /nfs/dbraw/zinc/09/92/80/1028099280.db2.gz BNGSTAIMVIMBDE-MSOLQXFVSA-N 1 2 371.481 2.782 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC1=CC[N@@H+](Cc2ncc(C3CC3)o2)CC1 ZINC001161257888 1028099297 /nfs/dbraw/zinc/09/92/97/1028099297.db2.gz BNGSTAIMVIMBDE-MSOLQXFVSA-N 1 2 371.481 2.782 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2noc(C(C)C)n2)C1 ZINC001104092195 1028560060 /nfs/dbraw/zinc/56/00/60/1028560060.db2.gz KBUBPDYZKXPJAP-IAGOWNOFSA-N 1 2 360.502 2.961 20 30 FFEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1CC[NH2+]CCC(F)(F)F ZINC001104217174 1028671082 /nfs/dbraw/zinc/67/10/82/1028671082.db2.gz HSTNJIDQEJAOPK-BBBLOLIVSA-N 1 2 352.294 2.913 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1CC[NH2+]CCC(F)(F)F ZINC001104217174 1028671087 /nfs/dbraw/zinc/67/10/87/1028671087.db2.gz HSTNJIDQEJAOPK-BBBLOLIVSA-N 1 2 352.294 2.913 20 30 FFEDLO C#CCCCCCC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000781117742 1028998434 /nfs/dbraw/zinc/99/84/34/1028998434.db2.gz RZBTUKJVMUCTTR-UHFFFAOYSA-N 1 2 355.482 2.873 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2Br)C[C@H]1C ZINC001206660205 1029070968 /nfs/dbraw/zinc/07/09/68/1029070968.db2.gz ZZGYJWLCVCAKGP-UEKVPHQBSA-N 1 2 368.250 2.684 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2Br)C[C@H]1C ZINC001206660205 1029070984 /nfs/dbraw/zinc/07/09/84/1029070984.db2.gz ZZGYJWLCVCAKGP-UEKVPHQBSA-N 1 2 368.250 2.684 20 30 FFEDLO COCCO[C@H]1CC[N@H+](CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)C1 ZINC000781963606 1029496403 /nfs/dbraw/zinc/49/64/03/1029496403.db2.gz LZVVCSUIQSOGEV-IZQLPPHKSA-N 1 2 358.482 2.604 20 30 FFEDLO COCCO[C@H]1CC[N@@H+](CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)C1 ZINC000781963606 1029496411 /nfs/dbraw/zinc/49/64/11/1029496411.db2.gz LZVVCSUIQSOGEV-IZQLPPHKSA-N 1 2 358.482 2.604 20 30 FFEDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1cc(C#N)cc(C)n1 ZINC001157509789 1029601950 /nfs/dbraw/zinc/60/19/50/1029601950.db2.gz BHGNLVULTLVETQ-LJQANCHMSA-N 1 2 364.449 2.516 20 30 FFEDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1cc(C#N)cc(C)n1 ZINC001157509789 1029601956 /nfs/dbraw/zinc/60/19/56/1029601956.db2.gz BHGNLVULTLVETQ-LJQANCHMSA-N 1 2 364.449 2.516 20 30 FFEDLO N#CCCCCNc1nc2c(ccn2S(=O)(=O)c2ccccc2)c[nH+]1 ZINC001157642176 1029636800 /nfs/dbraw/zinc/63/68/00/1029636800.db2.gz VSOLMHJHOBHWQQ-UHFFFAOYSA-N 1 2 355.423 2.774 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](Nc2c(C#N)c(Cl)nc3cccc(Cl)c32)C[NH2+]1 ZINC001158259578 1029774510 /nfs/dbraw/zinc/77/45/10/1029774510.db2.gz QDLCAOXJCRFLMP-PELKAZGASA-N 1 2 365.220 2.729 20 30 FFEDLO C=CCCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC001112014958 1029863486 /nfs/dbraw/zinc/86/34/86/1029863486.db2.gz DEKRQBGICJKPIE-JXFKEZNVSA-N 1 2 359.470 2.615 20 30 FFEDLO C=CCCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC001112014958 1029863494 /nfs/dbraw/zinc/86/34/94/1029863494.db2.gz DEKRQBGICJKPIE-JXFKEZNVSA-N 1 2 359.470 2.615 20 30 FFEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1c1ncc(Cl)cc1C#N ZINC001165653300 1030069677 /nfs/dbraw/zinc/06/96/77/1030069677.db2.gz QRIDARZUKYBISI-INIZCTEOSA-N 1 2 372.860 2.624 20 30 FFEDLO N#Cc1cc2nc(N3Cc4c[nH+]cn4C[C@@H](COCC4CC4)C3)ccc2[nH]1 ZINC001165689914 1030083039 /nfs/dbraw/zinc/08/30/39/1030083039.db2.gz BOMQVPAHRWFHFK-HNNXBMFYSA-N 1 2 362.437 2.694 20 30 FFEDLO Cc1nsc(NCCC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1C#N ZINC001115110512 1031050011 /nfs/dbraw/zinc/05/00/11/1031050011.db2.gz VQGDAWWTCIYTAZ-RAIGVLPGSA-N 1 2 358.471 2.547 20 30 FFEDLO Cc1nsc(NCCC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1C#N ZINC001115110512 1031050029 /nfs/dbraw/zinc/05/00/29/1031050029.db2.gz VQGDAWWTCIYTAZ-RAIGVLPGSA-N 1 2 358.471 2.547 20 30 FFEDLO N#CCCCN1C[C@@]2(F)C[N@@H+](Cc3cccc4c3CCC4)C[C@@]2(F)C1=O ZINC001276437462 1031057743 /nfs/dbraw/zinc/05/77/43/1031057743.db2.gz CCCHYTCBNMVPQM-VQTJNVASSA-N 1 2 359.420 2.553 20 30 FFEDLO N#CCCCN1C[C@@]2(F)C[N@H+](Cc3cccc4c3CCC4)C[C@@]2(F)C1=O ZINC001276437462 1031057753 /nfs/dbraw/zinc/05/77/53/1031057753.db2.gz CCCHYTCBNMVPQM-VQTJNVASSA-N 1 2 359.420 2.553 20 30 FFEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1ccccc1C#N ZINC001204368001 1031257150 /nfs/dbraw/zinc/25/71/50/1031257150.db2.gz RSPFNJROKJQBFB-LJQANCHMSA-N 1 2 351.454 2.571 20 30 FFEDLO COc1ccc(F)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)c1F ZINC001276465173 1031290311 /nfs/dbraw/zinc/29/03/11/1031290311.db2.gz VVSUHXAAWAIAHL-HZPDHXFCSA-N 1 2 363.408 2.842 20 30 FFEDLO COc1ccc(F)c(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)c1F ZINC001276465173 1031290325 /nfs/dbraw/zinc/29/03/25/1031290325.db2.gz VVSUHXAAWAIAHL-HZPDHXFCSA-N 1 2 363.408 2.842 20 30 FFEDLO C=CCN1CC[C@H](OC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1=O ZINC000798614693 1031477527 /nfs/dbraw/zinc/47/75/27/1031477527.db2.gz BLLNXXZFORWNOP-PXNSSMCTSA-N 1 2 370.493 2.660 20 30 FFEDLO C=CCCC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1O ZINC001205103190 1031528050 /nfs/dbraw/zinc/52/80/50/1031528050.db2.gz MBDIGJFBLIYQLD-WOJBJXKFSA-N 1 2 369.465 2.523 20 30 FFEDLO C=CCCC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1O ZINC001205103190 1031528061 /nfs/dbraw/zinc/52/80/61/1031528061.db2.gz MBDIGJFBLIYQLD-WOJBJXKFSA-N 1 2 369.465 2.523 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001223344981 1033405478 /nfs/dbraw/zinc/40/54/78/1033405478.db2.gz SJLDQXBQAYPWSC-INMHGKMJSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001223344981 1033405484 /nfs/dbraw/zinc/40/54/84/1033405484.db2.gz SJLDQXBQAYPWSC-INMHGKMJSA-N 1 2 358.486 2.972 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)Nc3sccc3C#N)C2)cc1 ZINC001219354354 1033614176 /nfs/dbraw/zinc/61/41/76/1033614176.db2.gz FICFFNWMWDKXTH-QGZVFWFLSA-N 1 2 370.478 2.951 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)Nc3sccc3C#N)C2)cc1 ZINC001219354354 1033614182 /nfs/dbraw/zinc/61/41/82/1033614182.db2.gz FICFFNWMWDKXTH-QGZVFWFLSA-N 1 2 370.478 2.951 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(C)C)n2)C[C@@H]1O ZINC001219686340 1033748629 /nfs/dbraw/zinc/74/86/29/1033748629.db2.gz LVKABPAQEVMFBH-UXHICEINSA-N 1 2 357.498 2.635 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(C)C)n2)C[C@@H]1O ZINC001219686340 1033748641 /nfs/dbraw/zinc/74/86/41/1033748641.db2.gz LVKABPAQEVMFBH-UXHICEINSA-N 1 2 357.498 2.635 20 30 FFEDLO N#CCc1ccnc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC001219701566 1033768747 /nfs/dbraw/zinc/76/87/47/1033768747.db2.gz RKUNNQSDDGUIFJ-UHFFFAOYSA-N 1 2 350.357 2.794 20 30 FFEDLO C=C(C)CN1CC2(C[NH+](Cc3cccc4nc(C)ccc34)C2)OCC1=O ZINC001276807312 1033775666 /nfs/dbraw/zinc/77/56/66/1033775666.db2.gz PTNAYOWJDRUVSN-UHFFFAOYSA-N 1 2 351.450 2.533 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001220184877 1034029575 /nfs/dbraw/zinc/02/95/75/1034029575.db2.gz VNNRSVZPFTYXKW-SJORKVTESA-N 1 2 368.399 2.560 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001220184877 1034029587 /nfs/dbraw/zinc/02/95/87/1034029587.db2.gz VNNRSVZPFTYXKW-SJORKVTESA-N 1 2 368.399 2.560 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OC)C[C@@H]1O ZINC001220198232 1034039638 /nfs/dbraw/zinc/03/96/38/1034039638.db2.gz IQBBIQRUWLCLHT-XKQJLSEDSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OC)C[C@@H]1O ZINC001220198232 1034039654 /nfs/dbraw/zinc/03/96/54/1034039654.db2.gz IQBBIQRUWLCLHT-XKQJLSEDSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccc2Cl)C[C@@H]1O ZINC001220201671 1034041475 /nfs/dbraw/zinc/04/14/75/1034041475.db2.gz XDVOTAJKVHKTFN-XWIAVFTESA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccc2Cl)C[C@@H]1O ZINC001220201671 1034041487 /nfs/dbraw/zinc/04/14/87/1034041487.db2.gz XDVOTAJKVHKTFN-XWIAVFTESA-N 1 2 366.889 2.612 20 30 FFEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1scnc1Br)CC2 ZINC001277016246 1034103599 /nfs/dbraw/zinc/10/35/99/1034103599.db2.gz VKLMXBNOSWSHLG-LLVKDONJSA-N 1 2 370.316 2.810 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O)CC(C)(C)C ZINC001220416022 1034160583 /nfs/dbraw/zinc/16/05/83/1034160583.db2.gz GTKGJDSXPRESTJ-XYPHTWIQSA-N 1 2 363.527 2.743 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O)CC(C)(C)C ZINC001220416022 1034160591 /nfs/dbraw/zinc/16/05/91/1034160591.db2.gz GTKGJDSXPRESTJ-XYPHTWIQSA-N 1 2 363.527 2.743 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(Cl)c2)C[C@@H]1O ZINC001220434521 1034173558 /nfs/dbraw/zinc/17/35/58/1034173558.db2.gz NOTSPNKPUJPQHQ-CVEARBPZSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(Cl)c2)C[C@@H]1O ZINC001220434521 1034173565 /nfs/dbraw/zinc/17/35/65/1034173565.db2.gz NOTSPNKPUJPQHQ-CVEARBPZSA-N 1 2 366.889 2.612 20 30 FFEDLO CC[C@@H](CC1CCCC1)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220472467 1034203371 /nfs/dbraw/zinc/20/33/71/1034203371.db2.gz ZYUHJYYQNZRYTH-BDTNDASRSA-N 1 2 368.521 2.806 20 30 FFEDLO CC[C@@H](CC1CCCC1)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220472467 1034203387 /nfs/dbraw/zinc/20/33/87/1034203387.db2.gz ZYUHJYYQNZRYTH-BDTNDASRSA-N 1 2 368.521 2.806 20 30 FFEDLO CC(=O)c1c(O)cc(O)cc1O[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001225679328 1034365782 /nfs/dbraw/zinc/36/57/82/1034365782.db2.gz NNIHKXHEFFLLPP-QGZVFWFLSA-N 1 2 352.390 2.825 20 30 FFEDLO CC(=O)c1c(O)cc(O)cc1O[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001225679328 1034365792 /nfs/dbraw/zinc/36/57/92/1034365792.db2.gz NNIHKXHEFFLLPP-QGZVFWFLSA-N 1 2 352.390 2.825 20 30 FFEDLO CCOCCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(Cl)c(C#N)c2)C1=O ZINC001277083470 1034453000 /nfs/dbraw/zinc/45/30/00/1034453000.db2.gz IGYUETQSCJCWSD-LJQANCHMSA-N 1 2 361.873 2.815 20 30 FFEDLO CCOCCN1CC[C@]2(CCC[N@H+]2Cc2ccc(Cl)c(C#N)c2)C1=O ZINC001277083470 1034453006 /nfs/dbraw/zinc/45/30/06/1034453006.db2.gz IGYUETQSCJCWSD-LJQANCHMSA-N 1 2 361.873 2.815 20 30 FFEDLO O=C(C#CC1CC1)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(-c2ccccc2)n1 ZINC001226134287 1034539707 /nfs/dbraw/zinc/53/97/07/1034539707.db2.gz TVSSNKYDQGAIOR-QZTJIDSGSA-N 1 2 364.449 2.667 20 30 FFEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3ccnc(Br)c3)CC2)nc1 ZINC001138734000 1034597844 /nfs/dbraw/zinc/59/78/44/1034597844.db2.gz PCWBDLCYSSPGNY-UHFFFAOYSA-N 1 2 372.270 2.823 20 30 FFEDLO N#Cc1ccc(N2CCC[N@H+](Cc3ccnc(Br)c3)CC2)nc1 ZINC001138734000 1034597851 /nfs/dbraw/zinc/59/78/51/1034597851.db2.gz PCWBDLCYSSPGNY-UHFFFAOYSA-N 1 2 372.270 2.823 20 30 FFEDLO N#Cc1ccccc1OC1C[NH+](Cc2ccccc2N2CCC(O)CC2)C1 ZINC001138763928 1034627756 /nfs/dbraw/zinc/62/77/56/1034627756.db2.gz IXSHPJBBDOSACA-UHFFFAOYSA-N 1 2 363.461 2.783 20 30 FFEDLO CCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001221304641 1034662290 /nfs/dbraw/zinc/66/22/90/1034662290.db2.gz GDFRYJOVVBHQOY-SZVBFZGTSA-N 1 2 360.885 2.649 20 30 FFEDLO CCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001221304641 1034662292 /nfs/dbraw/zinc/66/22/92/1034662292.db2.gz GDFRYJOVVBHQOY-SZVBFZGTSA-N 1 2 360.885 2.649 20 30 FFEDLO CCOCCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221312274 1034668708 /nfs/dbraw/zinc/66/87/08/1034668708.db2.gz BBOHFHOQFXCPKM-IEBWSBKVSA-N 1 2 359.445 2.547 20 30 FFEDLO CCOCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221312274 1034668711 /nfs/dbraw/zinc/66/87/11/1034668711.db2.gz BBOHFHOQFXCPKM-IEBWSBKVSA-N 1 2 359.445 2.547 20 30 FFEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1cc(C)n(C)n1)CC2 ZINC001138827209 1034719201 /nfs/dbraw/zinc/71/92/01/1034719201.db2.gz OTEOORCCXKCKKL-UHFFFAOYSA-N 1 2 355.486 2.596 20 30 FFEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1cc(C)n(C)n1)CC2 ZINC001138827209 1034719215 /nfs/dbraw/zinc/71/92/15/1034719215.db2.gz OTEOORCCXKCKKL-UHFFFAOYSA-N 1 2 355.486 2.596 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C[C@H]21 ZINC001221421646 1034732851 /nfs/dbraw/zinc/73/28/51/1034732851.db2.gz CXGORXXEMUXQAE-IDHHARJASA-N 1 2 364.436 2.979 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]21 ZINC001221421646 1034732859 /nfs/dbraw/zinc/73/28/59/1034732859.db2.gz CXGORXXEMUXQAE-IDHHARJASA-N 1 2 364.436 2.979 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3CC)C[C@H]21 ZINC001221424633 1034742781 /nfs/dbraw/zinc/74/27/81/1034742781.db2.gz JENXMQUTVYGGCJ-IEBWSBKVSA-N 1 2 355.482 2.686 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccccc3CC)C[C@H]21 ZINC001221424633 1034742797 /nfs/dbraw/zinc/74/27/97/1034742797.db2.gz JENXMQUTVYGGCJ-IEBWSBKVSA-N 1 2 355.482 2.686 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC001221442989 1034766978 /nfs/dbraw/zinc/76/69/78/1034766978.db2.gz GBFVGWOUXLRUMJ-CZUORRHYSA-N 1 2 352.837 2.714 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC001221442989 1034766993 /nfs/dbraw/zinc/76/69/93/1034766993.db2.gz GBFVGWOUXLRUMJ-CZUORRHYSA-N 1 2 352.837 2.714 20 30 FFEDLO CS[C@@H](C)CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221486873 1034811107 /nfs/dbraw/zinc/81/11/07/1034811107.db2.gz DANBHLCEZPDDLB-FDQGKXFDSA-N 1 2 361.486 2.872 20 30 FFEDLO CS[C@@H](C)CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221486873 1034811118 /nfs/dbraw/zinc/81/11/18/1034811118.db2.gz DANBHLCEZPDDLB-FDQGKXFDSA-N 1 2 361.486 2.872 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[N@H+](Cc3nsc4ccccc43)C[C@H]21 ZINC001221518227 1034836720 /nfs/dbraw/zinc/83/67/20/1034836720.db2.gz XHCYFQCYUDTQQA-ZTQAJYAQSA-N 1 2 371.506 2.656 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[N@@H+](Cc3nsc4ccccc43)C[C@H]21 ZINC001221518227 1034836729 /nfs/dbraw/zinc/83/67/29/1034836729.db2.gz XHCYFQCYUDTQQA-ZTQAJYAQSA-N 1 2 371.506 2.656 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@H+](Cc3nsc4ccccc43)C[C@H]21 ZINC001221535016 1034853903 /nfs/dbraw/zinc/85/39/03/1034853903.db2.gz IZWFXVXMAFGQHS-CRAIPNDOSA-N 1 2 353.491 2.988 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@@H+](Cc3nsc4ccccc43)C[C@H]21 ZINC001221535016 1034853909 /nfs/dbraw/zinc/85/39/09/1034853909.db2.gz IZWFXVXMAFGQHS-CRAIPNDOSA-N 1 2 353.491 2.988 20 30 FFEDLO C=CCOc1ccccc1C[N@@H+]1Cc2nnn(CC)c2[C@@H](COCC)C1 ZINC001139028492 1034896106 /nfs/dbraw/zinc/89/61/06/1034896106.db2.gz VRTAKVKYZCCRGK-QGZVFWFLSA-N 1 2 356.470 2.999 20 30 FFEDLO C=CCOc1ccccc1C[N@H+]1Cc2nnn(CC)c2[C@@H](COCC)C1 ZINC001139028492 1034896112 /nfs/dbraw/zinc/89/61/12/1034896112.db2.gz VRTAKVKYZCCRGK-QGZVFWFLSA-N 1 2 356.470 2.999 20 30 FFEDLO C=CCOc1ccccc1C[N@@H+]1Cc2nnn(CC)c2[C@H](COCC)C1 ZINC001139028491 1034896283 /nfs/dbraw/zinc/89/62/83/1034896283.db2.gz VRTAKVKYZCCRGK-KRWDZBQOSA-N 1 2 356.470 2.999 20 30 FFEDLO C=CCOc1ccccc1C[N@H+]1Cc2nnn(CC)c2[C@H](COCC)C1 ZINC001139028491 1034896288 /nfs/dbraw/zinc/89/62/88/1034896288.db2.gz VRTAKVKYZCCRGK-KRWDZBQOSA-N 1 2 356.470 2.999 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)cs3)C[C@H]21)OCC ZINC001221586189 1034900102 /nfs/dbraw/zinc/90/01/02/1034900102.db2.gz DUTGSAFSLMWANX-BRWVUGGUSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)cs3)C[C@H]21)OCC ZINC001221586189 1034900109 /nfs/dbraw/zinc/90/01/09/1034900109.db2.gz DUTGSAFSLMWANX-BRWVUGGUSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)c(C)o3)C[C@H]21 ZINC001221718395 1035008226 /nfs/dbraw/zinc/00/82/26/1035008226.db2.gz NFSQMQCHVCKCBD-MBOZVWFJSA-N 1 2 361.486 2.553 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)c(C)o3)C[C@H]21 ZINC001221718395 1035008234 /nfs/dbraw/zinc/00/82/34/1035008234.db2.gz NFSQMQCHVCKCBD-MBOZVWFJSA-N 1 2 361.486 2.553 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@H+](Cc3noc4c3CCCC4)C[C@H]21 ZINC001221748389 1035036203 /nfs/dbraw/zinc/03/62/03/1035036203.db2.gz VPVYIVUCXASYCH-VQIMIIECSA-N 1 2 355.482 2.780 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3noc4c3CCCC4)C[C@H]21 ZINC001221748389 1035036211 /nfs/dbraw/zinc/03/62/11/1035036211.db2.gz VPVYIVUCXASYCH-VQIMIIECSA-N 1 2 355.482 2.780 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001221779685 1035061993 /nfs/dbraw/zinc/06/19/93/1035061993.db2.gz IFUPYYNOKLKNJI-UKRRQHHQSA-N 1 2 352.429 2.747 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001221779685 1035061999 /nfs/dbraw/zinc/06/19/99/1035061999.db2.gz IFUPYYNOKLKNJI-UKRRQHHQSA-N 1 2 352.429 2.747 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC(CC)CC)C[C@H]32)CC1 ZINC001221793838 1035074466 /nfs/dbraw/zinc/07/44/66/1035074466.db2.gz NIDNHVVDECNDPR-IEBWSBKVSA-N 1 2 361.530 2.570 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@H+](CC(=O)NC(CC)CC)C[C@H]32)CC1 ZINC001221793838 1035074473 /nfs/dbraw/zinc/07/44/73/1035074473.db2.gz NIDNHVVDECNDPR-IEBWSBKVSA-N 1 2 361.530 2.570 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1C#N ZINC001139722885 1035208415 /nfs/dbraw/zinc/20/84/15/1035208415.db2.gz KFYQKFUNFCQVAS-SFHVURJKSA-N 1 2 359.470 2.982 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1C#N ZINC001139722885 1035208416 /nfs/dbraw/zinc/20/84/16/1035208416.db2.gz KFYQKFUNFCQVAS-SFHVURJKSA-N 1 2 359.470 2.982 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCCn3nnc(COc4cccnc4)c3C2)cc1C#N ZINC001139724959 1035208905 /nfs/dbraw/zinc/20/89/05/1035208905.db2.gz XUDCLUSPXPVOKX-UHFFFAOYSA-N 1 2 374.448 2.838 20 30 FFEDLO Cc1ccc(C[N@H+]2CCCn3nnc(COc4cccnc4)c3C2)cc1C#N ZINC001139724959 1035208911 /nfs/dbraw/zinc/20/89/11/1035208911.db2.gz XUDCLUSPXPVOKX-UHFFFAOYSA-N 1 2 374.448 2.838 20 30 FFEDLO Cc1ccc(C[NH+]2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1C#N ZINC001139726369 1035210075 /nfs/dbraw/zinc/21/00/75/1035210075.db2.gz KRQWROGZLSMOGK-UHFFFAOYSA-N 1 2 361.371 2.998 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C[C@@H]3CC[C@H]2C3)cc1C#N ZINC001276401870 1035279756 /nfs/dbraw/zinc/27/97/56/1035279756.db2.gz TXHRXKDWWJFFCO-RFSOPEBBSA-N 1 2 352.482 2.508 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C[C@@H]3CC[C@H]2C3)cc1C#N ZINC001276401870 1035279763 /nfs/dbraw/zinc/27/97/63/1035279763.db2.gz TXHRXKDWWJFFCO-RFSOPEBBSA-N 1 2 352.482 2.508 20 30 FFEDLO N#Cc1ccc(CN2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c(F)c1 ZINC001140136854 1035354250 /nfs/dbraw/zinc/35/42/50/1035354250.db2.gz PTEVDOGBKQWQKX-KRWDZBQOSA-N 1 2 354.429 2.952 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccc(-c3ccccc3)o1)C2 ZINC001277194389 1035490843 /nfs/dbraw/zinc/49/08/43/1035490843.db2.gz AHTNINVGPFQJTO-UHFFFAOYSA-N 1 2 352.434 2.936 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)cn1 ZINC001140542668 1035599936 /nfs/dbraw/zinc/59/99/36/1035599936.db2.gz DPCHSYVGDKQIQC-CEWLAPEOSA-N 1 2 364.449 2.544 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)cn1 ZINC001140542668 1035599944 /nfs/dbraw/zinc/59/99/44/1035599944.db2.gz DPCHSYVGDKQIQC-CEWLAPEOSA-N 1 2 364.449 2.544 20 30 FFEDLO C[C@H](Oc1ccc(O)c(C#N)c1C#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001227619256 1035640435 /nfs/dbraw/zinc/64/04/35/1035640435.db2.gz QJSOUPHLTJDCST-BTYIYWSLSA-N 1 2 363.417 2.804 20 30 FFEDLO C[C@H](Oc1ccc(O)c(C#N)c1C#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001227619256 1035640449 /nfs/dbraw/zinc/64/04/49/1035640449.db2.gz QJSOUPHLTJDCST-BTYIYWSLSA-N 1 2 363.417 2.804 20 30 FFEDLO C[N@@H+](Cc1cc(C#N)ccc1O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001232678378 1035935341 /nfs/dbraw/zinc/93/53/41/1035935341.db2.gz XBDWVQXDPZCMCT-FQEVSTJZSA-N 1 2 351.450 2.597 20 30 FFEDLO C[N@H+](Cc1cc(C#N)ccc1O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001232678378 1035935355 /nfs/dbraw/zinc/93/53/55/1035935355.db2.gz XBDWVQXDPZCMCT-FQEVSTJZSA-N 1 2 351.450 2.597 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2C[C@H]3CN(C(=O)c4ccsc4)C[C@@H]3C2)c1 ZINC001232678002 1035937344 /nfs/dbraw/zinc/93/73/44/1035937344.db2.gz TUIMEUGNYCQVKV-IRXDYDNUSA-N 1 2 353.447 2.529 20 30 FFEDLO CCCCCCCC[C@H](O)C[NH+]1CC2(C1)CN(CC(C)C)C(=O)CO2 ZINC001277734628 1036157013 /nfs/dbraw/zinc/15/70/13/1036157013.db2.gz KNKRNNHDUDLFLT-SFHVURJKSA-N 1 2 354.535 2.667 20 30 FFEDLO COc1cc(F)c(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)c(F)c1 ZINC001140826953 1036236922 /nfs/dbraw/zinc/23/69/22/1036236922.db2.gz UFILVIVHSCMQGG-UHFFFAOYSA-N 1 2 358.392 2.952 20 30 FFEDLO COc1cc(F)c(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)c(F)c1 ZINC001140826953 1036236939 /nfs/dbraw/zinc/23/69/39/1036236939.db2.gz UFILVIVHSCMQGG-UHFFFAOYSA-N 1 2 358.392 2.952 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC001233080174 1036329087 /nfs/dbraw/zinc/32/90/87/1036329087.db2.gz FWXDGZJUXUEOCH-SFHVURJKSA-N 1 2 359.470 2.982 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC001233080174 1036329102 /nfs/dbraw/zinc/32/91/02/1036329102.db2.gz FWXDGZJUXUEOCH-SFHVURJKSA-N 1 2 359.470 2.982 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCc2onc(C(=O)N3CCCC3)c2C1 ZINC001233081376 1036329157 /nfs/dbraw/zinc/32/91/57/1036329157.db2.gz WNGPBXSCJHCRJA-UHFFFAOYSA-N 1 2 350.422 2.649 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@H+]1CCc2onc(C(=O)N3CCCC3)c2C1 ZINC001233081376 1036329170 /nfs/dbraw/zinc/32/91/70/1036329170.db2.gz WNGPBXSCJHCRJA-UHFFFAOYSA-N 1 2 350.422 2.649 20 30 FFEDLO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4cncc(Cl)n4)C3)CC2=O)c1 ZINC001233449067 1036632001 /nfs/dbraw/zinc/63/20/01/1036632001.db2.gz PEFCTYAIHGTSNN-IBGZPJMESA-N 1 2 367.840 2.631 20 30 FFEDLO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4cncc(Cl)n4)C3)CC2=O)c1 ZINC001233449067 1036632009 /nfs/dbraw/zinc/63/20/09/1036632009.db2.gz PEFCTYAIHGTSNN-IBGZPJMESA-N 1 2 367.840 2.631 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)cc(C(=O)OC)c2)C1=O ZINC001277817443 1036815653 /nfs/dbraw/zinc/81/56/53/1036815653.db2.gz NUNVITXGMAXLJW-FQEVSTJZSA-N 1 2 360.429 2.755 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)cc(C(=O)OC)c2)C1=O ZINC001277817443 1036815669 /nfs/dbraw/zinc/81/56/69/1036815669.db2.gz NUNVITXGMAXLJW-FQEVSTJZSA-N 1 2 360.429 2.755 20 30 FFEDLO Cc1cc(C)cc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C2)c1 ZINC001206950713 1036974169 /nfs/dbraw/zinc/97/41/69/1036974169.db2.gz GASKUQVTVPGFRB-IEBWSBKVSA-N 1 2 369.509 2.728 20 30 FFEDLO Cc1cc(C)cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C2)c1 ZINC001206950713 1036974182 /nfs/dbraw/zinc/97/41/82/1036974182.db2.gz GASKUQVTVPGFRB-IEBWSBKVSA-N 1 2 369.509 2.728 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206952917 1036977483 /nfs/dbraw/zinc/97/74/83/1036977483.db2.gz KILDIIANFUVIAX-RDTXWAMCSA-N 1 2 367.424 2.831 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206952917 1036977502 /nfs/dbraw/zinc/97/75/02/1036977502.db2.gz KILDIIANFUVIAX-RDTXWAMCSA-N 1 2 367.424 2.831 20 30 FFEDLO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206953003 1036977581 /nfs/dbraw/zinc/97/75/81/1036977581.db2.gz NPMJKWVHBSZLLL-VNHYZAJKSA-N 1 2 370.478 2.709 20 30 FFEDLO C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206953003 1036977591 /nfs/dbraw/zinc/97/75/91/1036977591.db2.gz NPMJKWVHBSZLLL-VNHYZAJKSA-N 1 2 370.478 2.709 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2cc3n(n2)CCCC3)C[C@H]1C ZINC001207107625 1037152168 /nfs/dbraw/zinc/15/21/68/1037152168.db2.gz NUVWHGIXJQTMDI-OXQOHEQNSA-N 1 2 356.514 2.924 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2cc3n(n2)CCCC3)C[C@H]1C ZINC001207107625 1037152173 /nfs/dbraw/zinc/15/21/73/1037152173.db2.gz NUVWHGIXJQTMDI-OXQOHEQNSA-N 1 2 356.514 2.924 20 30 FFEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1nccn1CC)CC2 ZINC001207140686 1037184706 /nfs/dbraw/zinc/18/47/06/1037184706.db2.gz ARYIXYCHSWFEKK-UHFFFAOYSA-N 1 2 355.486 2.770 20 30 FFEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1nccn1CC)CC2 ZINC001207140686 1037184714 /nfs/dbraw/zinc/18/47/14/1037184714.db2.gz ARYIXYCHSWFEKK-UHFFFAOYSA-N 1 2 355.486 2.770 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COc2ccc(OC)c(C)c2)C1 ZINC001207543552 1037537042 /nfs/dbraw/zinc/53/70/42/1037537042.db2.gz STQSOHMZJUFFOE-CZUORRHYSA-N 1 2 352.862 2.571 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COc2ccc(OC)c(C)c2)C1 ZINC001207543552 1037537052 /nfs/dbraw/zinc/53/70/52/1037537052.db2.gz STQSOHMZJUFFOE-CZUORRHYSA-N 1 2 352.862 2.571 20 30 FFEDLO COC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1CC#N ZINC001235514159 1037601129 /nfs/dbraw/zinc/60/11/29/1037601129.db2.gz IJTBGAAURKWXDY-GOSISDBHSA-N 1 2 359.470 2.820 20 30 FFEDLO COC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1CC#N ZINC001235514159 1037601137 /nfs/dbraw/zinc/60/11/37/1037601137.db2.gz IJTBGAAURKWXDY-GOSISDBHSA-N 1 2 359.470 2.820 20 30 FFEDLO N#Cc1cc(F)c(C[N@@H+]2C[C@@H]3COC[C@]3(COc3cccnc3)C2)c(F)c1 ZINC001235653235 1037666071 /nfs/dbraw/zinc/66/60/71/1037666071.db2.gz CMZZVMMUBIGXIM-QRWLVFNGSA-N 1 2 371.387 2.759 20 30 FFEDLO N#Cc1cc(F)c(C[N@H+]2C[C@@H]3COC[C@]3(COc3cccnc3)C2)c(F)c1 ZINC001235653235 1037666082 /nfs/dbraw/zinc/66/60/82/1037666082.db2.gz CMZZVMMUBIGXIM-QRWLVFNGSA-N 1 2 371.387 2.759 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(Cl)cc(C)n1)C2 ZINC001277531346 1037672090 /nfs/dbraw/zinc/67/20/90/1037672090.db2.gz NCMFRLKUYXKKDL-IBGZPJMESA-N 1 2 363.889 2.670 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(Cl)cc(C)n1)C2 ZINC001277531346 1037672100 /nfs/dbraw/zinc/67/21/00/1037672100.db2.gz NCMFRLKUYXKKDL-IBGZPJMESA-N 1 2 363.889 2.670 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2)C[C@H]1C ZINC001208313282 1038207147 /nfs/dbraw/zinc/20/71/47/1038207147.db2.gz ZDXHBHSCGBRMAJ-IEBWSBKVSA-N 1 2 355.482 2.645 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2)C[C@H]1C ZINC001208313282 1038207162 /nfs/dbraw/zinc/20/71/62/1038207162.db2.gz ZDXHBHSCGBRMAJ-IEBWSBKVSA-N 1 2 355.482 2.645 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1cccc(OC(C)(C)C)c1)C2 ZINC001278005589 1038239239 /nfs/dbraw/zinc/23/92/39/1038239239.db2.gz KNABDMPHWQOQCE-UHFFFAOYSA-N 1 2 358.482 2.853 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cc(C)cc(C)c2)C[C@H]1C ZINC001208371144 1038259581 /nfs/dbraw/zinc/25/95/81/1038259581.db2.gz HHUBGLCOLREGFI-UYAOXDASSA-N 1 2 369.509 2.872 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cc(C)cc(C)c2)C[C@H]1C ZINC001208371144 1038259595 /nfs/dbraw/zinc/25/95/95/1038259595.db2.gz HHUBGLCOLREGFI-UYAOXDASSA-N 1 2 369.509 2.872 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001208371397 1038261100 /nfs/dbraw/zinc/26/11/00/1038261100.db2.gz SSITVHMYTBCOFK-IEBWSBKVSA-N 1 2 355.482 2.564 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001208371397 1038261113 /nfs/dbraw/zinc/26/11/13/1038261113.db2.gz SSITVHMYTBCOFK-IEBWSBKVSA-N 1 2 355.482 2.564 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237124887 1038450504 /nfs/dbraw/zinc/45/05/04/1038450504.db2.gz GEMFXPQRYLJGTM-UHFFFAOYSA-N 1 2 358.316 2.570 20 30 FFEDLO COCCOCN1CC[C@]2(C1)CCC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001278939852 1038531465 /nfs/dbraw/zinc/53/14/65/1038531465.db2.gz UTBAGUIZCJHUPF-HXUWFJFHSA-N 1 2 361.461 2.606 20 30 FFEDLO COCCOCN1CC[C@]2(C1)CCC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001278939852 1038531470 /nfs/dbraw/zinc/53/14/70/1038531470.db2.gz UTBAGUIZCJHUPF-HXUWFJFHSA-N 1 2 361.461 2.606 20 30 FFEDLO CC(C)(C)OC(=O)N1CCOC2(C[NH+](CCCc3ccc(C#N)cc3)C2)C1 ZINC001208856061 1038558468 /nfs/dbraw/zinc/55/84/68/1038558468.db2.gz JXLZYBCGUVDCQS-UHFFFAOYSA-N 1 2 371.481 2.813 20 30 FFEDLO C=C(C)COc1ccccc1CN1CC2(C1)CC[N@@H+](COCCOC)C2 ZINC001278966274 1038628275 /nfs/dbraw/zinc/62/82/75/1038628275.db2.gz FNRDLYLBHAIWBW-UHFFFAOYSA-N 1 2 360.498 2.770 20 30 FFEDLO C=C(C)COc1ccccc1CN1CC2(C1)CC[N@H+](COCCOC)C2 ZINC001278966274 1038628278 /nfs/dbraw/zinc/62/82/78/1038628278.db2.gz FNRDLYLBHAIWBW-UHFFFAOYSA-N 1 2 360.498 2.770 20 30 FFEDLO CC(C)=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)c1ccc(C#N)cc1 ZINC001276626833 1038728393 /nfs/dbraw/zinc/72/83/93/1038728393.db2.gz DOLKVMWVXVNTIS-RTBURBONSA-N 1 2 351.450 2.772 20 30 FFEDLO CC(C)=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(=O)c1ccc(C#N)cc1 ZINC001276626833 1038728398 /nfs/dbraw/zinc/72/83/98/1038728398.db2.gz DOLKVMWVXVNTIS-RTBURBONSA-N 1 2 351.450 2.772 20 30 FFEDLO COCCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001209904313 1039284833 /nfs/dbraw/zinc/28/48/33/1039284833.db2.gz OCXVHVDETZCJSM-RDTXWAMCSA-N 1 2 361.461 2.697 20 30 FFEDLO COCCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001209904313 1039284848 /nfs/dbraw/zinc/28/48/48/1039284848.db2.gz OCXVHVDETZCJSM-RDTXWAMCSA-N 1 2 361.461 2.697 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1Cc1ccc(Br)cc1OC(F)(F)F ZINC001210123156 1039393004 /nfs/dbraw/zinc/39/30/04/1039393004.db2.gz ZKOSFPZVVIKZGT-LLVKDONJSA-N 1 2 364.165 2.645 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]2C)CCOCC1 ZINC001210679899 1039666393 /nfs/dbraw/zinc/66/63/93/1039666393.db2.gz TZJARHQSHXVUGG-RHSMWYFYSA-N 1 2 363.527 2.761 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3csc(C)n3)C[C@H]2C)CCOCC1 ZINC001210679899 1039666402 /nfs/dbraw/zinc/66/64/02/1039666402.db2.gz TZJARHQSHXVUGG-RHSMWYFYSA-N 1 2 363.527 2.761 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COc2ccc(C)cc2)C1 ZINC001210836290 1039763274 /nfs/dbraw/zinc/76/32/74/1039763274.db2.gz HZOKLAPPWJBJIM-CZUORRHYSA-N 1 2 367.287 2.719 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COc2ccc(C)cc2)C1 ZINC001210836290 1039763288 /nfs/dbraw/zinc/76/32/88/1039763288.db2.gz HZOKLAPPWJBJIM-CZUORRHYSA-N 1 2 367.287 2.719 20 30 FFEDLO CCCCCCCCCC[C@@H](O)CN[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001252988145 1039897765 /nfs/dbraw/zinc/89/77/65/1039897765.db2.gz BKOPUJRLTSCTCQ-RTBURBONSA-N 1 2 367.534 2.986 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001253235649 1040059883 /nfs/dbraw/zinc/05/98/83/1040059883.db2.gz MPVQGDRZSGUMLL-DLBZAZTESA-N 1 2 350.507 2.731 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[N@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001253235649 1040059891 /nfs/dbraw/zinc/05/98/91/1040059891.db2.gz MPVQGDRZSGUMLL-DLBZAZTESA-N 1 2 350.507 2.731 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3)o2)C[C@H]1C ZINC001211427901 1040185900 /nfs/dbraw/zinc/18/59/00/1040185900.db2.gz RNKHKWSLYIARFN-SOLBZPMBSA-N 1 2 369.465 2.869 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3)o2)C[C@H]1C ZINC001211427901 1040185907 /nfs/dbraw/zinc/18/59/07/1040185907.db2.gz RNKHKWSLYIARFN-SOLBZPMBSA-N 1 2 369.465 2.869 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1OC ZINC001213258558 1040382832 /nfs/dbraw/zinc/38/28/32/1040382832.db2.gz VREZAGBLUMNMCG-IAGOWNOFSA-N 1 2 352.425 2.883 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1OC ZINC001213258558 1040382847 /nfs/dbraw/zinc/38/28/47/1040382847.db2.gz VREZAGBLUMNMCG-IAGOWNOFSA-N 1 2 352.425 2.883 20 30 FFEDLO CCc1cc(C#N)ccc1C[N@H+]1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001248750599 1040393171 /nfs/dbraw/zinc/39/31/71/1040393171.db2.gz PHZXUCJRHGMKAV-SFHVURJKSA-N 1 2 360.465 2.846 20 30 FFEDLO CCc1cc(C#N)ccc1C[N@@H+]1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001248750599 1040393181 /nfs/dbraw/zinc/39/31/81/1040393181.db2.gz PHZXUCJRHGMKAV-SFHVURJKSA-N 1 2 360.465 2.846 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)C[C@H]1OC ZINC001213317528 1040443551 /nfs/dbraw/zinc/44/35/51/1040443551.db2.gz NDXHKKPHJZRBGM-POZUXBRTSA-N 1 2 364.461 2.752 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(F)c2)C[C@H]1OC ZINC001213317528 1040443558 /nfs/dbraw/zinc/44/35/58/1040443558.db2.gz NDXHKKPHJZRBGM-POZUXBRTSA-N 1 2 364.461 2.752 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2OC)CCC1 ZINC001213385370 1040498821 /nfs/dbraw/zinc/49/88/21/1040498821.db2.gz KPTRLFDAJHDNRC-RTBURBONSA-N 1 2 371.456 2.759 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2OC)CCC1 ZINC001213385370 1040498835 /nfs/dbraw/zinc/49/88/35/1040498835.db2.gz KPTRLFDAJHDNRC-RTBURBONSA-N 1 2 371.456 2.759 20 30 FFEDLO CC[C@@H](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213612079 1040717303 /nfs/dbraw/zinc/71/73/03/1040717303.db2.gz RYJQROSGFIIDDH-NIKGAXFTSA-N 1 2 361.461 2.839 20 30 FFEDLO CC[C@@H](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213612079 1040717322 /nfs/dbraw/zinc/71/73/22/1040717322.db2.gz RYJQROSGFIIDDH-NIKGAXFTSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC[C@@H](CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213638238 1040749482 /nfs/dbraw/zinc/74/94/82/1040749482.db2.gz FMHFFHKDYURIFT-ATZDWAIDSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC[C@@H](CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213638238 1040749500 /nfs/dbraw/zinc/74/95/00/1040749500.db2.gz FMHFFHKDYURIFT-ATZDWAIDSA-N 1 2 361.461 2.839 20 30 FFEDLO CCOCc1nnn2c1C[N@H+](Cc1cc3ccc(C#N)cc3[nH]1)CCC2 ZINC001249428407 1040758832 /nfs/dbraw/zinc/75/88/32/1040758832.db2.gz NOCWRWBMVJBANC-UHFFFAOYSA-N 1 2 350.426 2.573 20 30 FFEDLO CCOCc1nnn2c1C[N@@H+](Cc1cc3ccc(C#N)cc3[nH]1)CCC2 ZINC001249428407 1040758848 /nfs/dbraw/zinc/75/88/48/1040758848.db2.gz NOCWRWBMVJBANC-UHFFFAOYSA-N 1 2 350.426 2.573 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](CN2C(=O)N[C@@](CC)(c3ccc(CC)cc3)C2=O)C1 ZINC001254535615 1040787623 /nfs/dbraw/zinc/78/76/23/1040787623.db2.gz GKWRBLAGTNIAJO-RXVVDRJESA-N 1 2 371.481 2.641 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](CN2C(=O)N[C@@](CC)(c3ccc(CC)cc3)C2=O)C1 ZINC001254535615 1040787633 /nfs/dbraw/zinc/78/76/33/1040787633.db2.gz GKWRBLAGTNIAJO-RXVVDRJESA-N 1 2 371.481 2.641 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001213776733 1040896258 /nfs/dbraw/zinc/89/62/58/1040896258.db2.gz LXIMYLTYDBDKKV-RTBURBONSA-N 1 2 352.519 2.592 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001213776733 1040896266 /nfs/dbraw/zinc/89/62/66/1040896266.db2.gz LXIMYLTYDBDKKV-RTBURBONSA-N 1 2 352.519 2.592 20 30 FFEDLO C#CC[C@H]([NH2+][C@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C(=O)OC ZINC001254733681 1040918149 /nfs/dbraw/zinc/91/81/49/1040918149.db2.gz NHUXIHQOOSVJDF-HOTGVXAUSA-N 1 2 364.486 2.711 20 30 FFEDLO Cn1cc(CN2CCC23C[NH+](Cc2ccc(Cl)cc2O)C3)cc1C#N ZINC001278558410 1041151560 /nfs/dbraw/zinc/15/15/60/1041151560.db2.gz VIJYWZNWETUBEF-UHFFFAOYSA-N 1 2 356.857 2.716 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncsc2Br)C1 ZINC001214584128 1041493563 /nfs/dbraw/zinc/49/35/63/1041493563.db2.gz OMOSKDAPANDBPG-DGCLKSJQSA-N 1 2 370.316 2.502 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC001215361836 1041756100 /nfs/dbraw/zinc/75/61/00/1041756100.db2.gz JPZNBARGLFUSMD-NVXWUHKLSA-N 1 2 358.486 2.857 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)Cc1nc(C)no1 ZINC001262980890 1042006585 /nfs/dbraw/zinc/00/65/85/1042006585.db2.gz USDKBTRWXBLRKH-OAHLLOKOSA-N 1 2 370.461 2.624 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](CC)CC[C@@H]2C)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001263285274 1042220352 /nfs/dbraw/zinc/22/03/52/1042220352.db2.gz BYRCFCHROXJEDB-XLSPSMHOSA-N 1 2 361.534 2.781 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](CC)CC[C@@H]2C)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001263285274 1042220357 /nfs/dbraw/zinc/22/03/57/1042220357.db2.gz BYRCFCHROXJEDB-XLSPSMHOSA-N 1 2 361.534 2.781 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001263288613 1042223892 /nfs/dbraw/zinc/22/38/92/1042223892.db2.gz XYRBLKIQYUKGHQ-ZDUSSCGKSA-N 1 2 368.407 2.957 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC(=C)C ZINC001263302416 1042229970 /nfs/dbraw/zinc/22/99/70/1042229970.db2.gz QRDGBMSYGIMNKB-IBGZPJMESA-N 1 2 366.513 2.939 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3CCC[N@@H+]3C)n2CCCOCC)C1 ZINC001263368849 1042265954 /nfs/dbraw/zinc/26/59/54/1042265954.db2.gz FRUAKCKCSLUZTH-QZTJIDSGSA-N 1 2 359.518 2.711 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3CCC[N@H+]3C)n2CCCOCC)C1 ZINC001263368849 1042265961 /nfs/dbraw/zinc/26/59/61/1042265961.db2.gz FRUAKCKCSLUZTH-QZTJIDSGSA-N 1 2 359.518 2.711 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCCO1 ZINC001263603932 1042396612 /nfs/dbraw/zinc/39/66/12/1042396612.db2.gz QDGNYGPUHKWLES-QZTJIDSGSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCCO1 ZINC001263603932 1042396618 /nfs/dbraw/zinc/39/66/18/1042396618.db2.gz QDGNYGPUHKWLES-QZTJIDSGSA-N 1 2 372.517 2.744 20 30 FFEDLO C=CCN(c1nnc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC1CC1)C1CC1 ZINC001263752592 1042466969 /nfs/dbraw/zinc/46/69/69/1042466969.db2.gz MMAFOPNRQJUITP-MSOLQXFVSA-N 1 2 357.502 2.769 20 30 FFEDLO C=CCN(c1nnc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC1CC1)C1CC1 ZINC001263752592 1042466970 /nfs/dbraw/zinc/46/69/70/1042466970.db2.gz MMAFOPNRQJUITP-MSOLQXFVSA-N 1 2 357.502 2.769 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CCCC(C)=O)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001264046047 1042596002 /nfs/dbraw/zinc/59/60/02/1042596002.db2.gz ZSEMZGPTHSQCTL-RBUKOAKNSA-N 1 2 359.445 2.926 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CCCC(C)=O)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001264046047 1042596004 /nfs/dbraw/zinc/59/60/04/1042596004.db2.gz ZSEMZGPTHSQCTL-RBUKOAKNSA-N 1 2 359.445 2.926 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)no3)[C@@H]2CC)CCCCC1 ZINC001264071512 1042612932 /nfs/dbraw/zinc/61/29/32/1042612932.db2.gz ICGXESSETGCGPC-DLBZAZTESA-N 1 2 358.486 2.821 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)no3)[C@@H]2CC)CCCCC1 ZINC001264071512 1042612933 /nfs/dbraw/zinc/61/29/33/1042612933.db2.gz ICGXESSETGCGPC-DLBZAZTESA-N 1 2 358.486 2.821 20 30 FFEDLO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2nnc(-c3cccc(F)c3)o2)[C@@H]1C ZINC001264134468 1042630415 /nfs/dbraw/zinc/63/04/15/1042630415.db2.gz NEIOGNYALTXVBJ-CJNGLKHVSA-N 1 2 358.417 2.921 20 30 FFEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(F)c3)o2)[C@@H]1C ZINC001264134468 1042630419 /nfs/dbraw/zinc/63/04/19/1042630419.db2.gz NEIOGNYALTXVBJ-CJNGLKHVSA-N 1 2 358.417 2.921 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)COCC(F)F)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001264153816 1042640670 /nfs/dbraw/zinc/64/06/70/1042640670.db2.gz HKFFUPRDYNJVED-CJNGLKHVSA-N 1 2 370.827 2.552 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)COCC(F)F)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001264153816 1042640673 /nfs/dbraw/zinc/64/06/73/1042640673.db2.gz HKFFUPRDYNJVED-CJNGLKHVSA-N 1 2 370.827 2.552 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H](C)C#N)CC[N@@H+]1Cc1nc(-c2ccccc2C)no1 ZINC001264603623 1042737942 /nfs/dbraw/zinc/73/79/42/1042737942.db2.gz ILHZKGRTCKZUFW-HYVNUMGLSA-N 1 2 367.453 2.674 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H](C)C#N)CC[N@H+]1Cc1nc(-c2ccccc2C)no1 ZINC001264603623 1042737947 /nfs/dbraw/zinc/73/79/47/1042737947.db2.gz ILHZKGRTCKZUFW-HYVNUMGLSA-N 1 2 367.453 2.674 20 30 FFEDLO N#Cc1cc(C[NH+]2CCC(NC(=O)N3CCCCC3)CC2)c(F)cc1F ZINC001237535595 1043220095 /nfs/dbraw/zinc/22/00/95/1043220095.db2.gz AFMNXAUSSMQCFI-UHFFFAOYSA-N 1 2 362.424 2.996 20 30 FFEDLO COc1cc(C)nc(O[C@H]2CC[N@H+](Cc3cc(C#N)c(F)cc3F)C2)n1 ZINC001237535625 1043225182 /nfs/dbraw/zinc/22/51/82/1043225182.db2.gz BEKLNLCGGNIBPY-AWEZNQCLSA-N 1 2 360.364 2.597 20 30 FFEDLO COc1cc(C)nc(O[C@H]2CC[N@@H+](Cc3cc(C#N)c(F)cc3F)C2)n1 ZINC001237535625 1043225189 /nfs/dbraw/zinc/22/51/89/1043225189.db2.gz BEKLNLCGGNIBPY-AWEZNQCLSA-N 1 2 360.364 2.597 20 30 FFEDLO N#Cc1ccc(CN2CCc3[nH+]cc(Cn4cccn4)n3CC2)c(Cl)c1 ZINC001238082952 1043523335 /nfs/dbraw/zinc/52/33/35/1043523335.db2.gz OGCBHOWDEJAGOJ-UHFFFAOYSA-N 1 2 366.856 2.711 20 30 FFEDLO N#CCc1ccccc1S(=O)(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001309800043 1043532905 /nfs/dbraw/zinc/53/29/05/1043532905.db2.gz SKCTXDSOVCLYMJ-SFHVURJKSA-N 1 2 366.446 2.669 20 30 FFEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC2(C[C@@H]2C(=O)NCC2COC2)CC1 ZINC001279741159 1043566922 /nfs/dbraw/zinc/56/69/22/1043566922.db2.gz FXPQOSJKJHKMSO-QGZVFWFLSA-N 1 2 373.884 2.576 20 30 FFEDLO Cn1cc(C[N@@H+]2CCC23CN(CCc2cc(F)cc(F)c2)C3)cc1C#N ZINC001278245614 1043759635 /nfs/dbraw/zinc/75/96/35/1043759635.db2.gz HIHQLABOEDETGH-UHFFFAOYSA-N 1 2 356.420 2.678 20 30 FFEDLO Cn1cc(C[N@H+]2CCC23CN(CCc2cc(F)cc(F)c2)C3)cc1C#N ZINC001278245614 1043759643 /nfs/dbraw/zinc/75/96/43/1043759643.db2.gz HIHQLABOEDETGH-UHFFFAOYSA-N 1 2 356.420 2.678 20 30 FFEDLO Cn1cc(CN2CCC23C[NH+](CCc2cc(F)cc(F)c2)C3)cc1C#N ZINC001278245614 1043759657 /nfs/dbraw/zinc/75/96/57/1043759657.db2.gz HIHQLABOEDETGH-UHFFFAOYSA-N 1 2 356.420 2.678 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cc(OCC)ncc3F)C2)CC1 ZINC001238726188 1043846947 /nfs/dbraw/zinc/84/69/47/1043846947.db2.gz BWNPNCTWUNBGKO-UHFFFAOYSA-N 1 2 363.433 2.840 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CC(CC#N)C2)cc1Cl ZINC001279931339 1043937277 /nfs/dbraw/zinc/93/72/77/1043937277.db2.gz FCIAIQKBPZIGKL-HNAYVOBHSA-N 1 2 359.857 2.685 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]3C[C@]32C(=O)N2CC(CC#N)C2)cc1Cl ZINC001279931339 1043937284 /nfs/dbraw/zinc/93/72/84/1043937284.db2.gz FCIAIQKBPZIGKL-HNAYVOBHSA-N 1 2 359.857 2.685 20 30 FFEDLO COc1ccc(Cl)cc1C[NH+]1CC2(C[C@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001279933409 1043940449 /nfs/dbraw/zinc/94/04/49/1043940449.db2.gz JLGDDGGFDOVTHT-INIZCTEOSA-N 1 2 359.857 2.543 20 30 FFEDLO N#CC1(NC(=O)[C@H]2CC23C[NH+](Cc2ccccc2Br)C3)CCC1 ZINC001279944837 1043961348 /nfs/dbraw/zinc/96/13/48/1043961348.db2.gz PWSNWSLRBLFOJV-CQSZACIVSA-N 1 2 374.282 2.833 20 30 FFEDLO Cc1cc(C[N@@H+]2CCc3onc(C(=O)N4CC(CC#N)C4)c3C2)c(C)s1 ZINC001279970283 1044006931 /nfs/dbraw/zinc/00/69/31/1044006931.db2.gz SGTDQMPJTGIYOR-UHFFFAOYSA-N 1 2 370.478 2.897 20 30 FFEDLO Cc1cc(C[N@H+]2CCc3onc(C(=O)N4CC(CC#N)C4)c3C2)c(C)s1 ZINC001279970283 1044006942 /nfs/dbraw/zinc/00/69/42/1044006942.db2.gz SGTDQMPJTGIYOR-UHFFFAOYSA-N 1 2 370.478 2.897 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=S)Nc4ccc(F)cc4)C3)C2)cc1C#N ZINC001279997813 1044066671 /nfs/dbraw/zinc/06/66/71/1044066671.db2.gz OVEURBYKTHNNBF-UHFFFAOYSA-N 1 2 369.469 2.550 20 30 FFEDLO C[C@H]1c2nc(C(=O)N3CC(CC#N)C3)cn2CC[N@H+]1CC1CCCCC1 ZINC001280237112 1044446743 /nfs/dbraw/zinc/44/67/43/1044446743.db2.gz OBPNDNLCDLWHDI-HNNXBMFYSA-N 1 2 355.486 2.826 20 30 FFEDLO C[C@H]1c2nc(C(=O)N3CC(CC#N)C3)cn2CC[N@@H+]1CC1CCCCC1 ZINC001280237112 1044446751 /nfs/dbraw/zinc/44/67/51/1044446751.db2.gz OBPNDNLCDLWHDI-HNNXBMFYSA-N 1 2 355.486 2.826 20 30 FFEDLO Cc1ccc(C#N)c(NC(=O)[C@@H]2CCn3nccc3C[N@H+]2CC(C)C)c1 ZINC001280245777 1044462238 /nfs/dbraw/zinc/46/22/38/1044462238.db2.gz UMQBWASOEREJRD-IBGZPJMESA-N 1 2 351.454 2.932 20 30 FFEDLO Cc1ccc(C#N)c(NC(=O)[C@@H]2CCn3nccc3C[N@@H+]2CC(C)C)c1 ZINC001280245777 1044462241 /nfs/dbraw/zinc/46/22/41/1044462241.db2.gz UMQBWASOEREJRD-IBGZPJMESA-N 1 2 351.454 2.932 20 30 FFEDLO CCOC(=O)c1cnc(-c2ccccc2C[NH+]2CCOCC2)c(C#N)c1 ZINC001241990241 1044654235 /nfs/dbraw/zinc/65/42/35/1044654235.db2.gz QCNOACMWLOSXET-UHFFFAOYSA-N 1 2 351.406 2.629 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3CCC)cc2C1 ZINC001281299472 1044860011 /nfs/dbraw/zinc/86/00/11/1044860011.db2.gz OUWACIKRVFIDCS-WRWLIDTKSA-N 1 2 369.509 2.745 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3CCC)cc2C1 ZINC001281299472 1044860030 /nfs/dbraw/zinc/86/00/30/1044860030.db2.gz OUWACIKRVFIDCS-WRWLIDTKSA-N 1 2 369.509 2.745 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)CSCC#N)CC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC001316776234 1044931431 /nfs/dbraw/zinc/93/14/31/1044931431.db2.gz UTYVQJBRJXFIDX-ABAIWWIYSA-N 1 2 355.866 2.815 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)CSCC#N)CC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC001316776234 1044931445 /nfs/dbraw/zinc/93/14/45/1044931445.db2.gz UTYVQJBRJXFIDX-ABAIWWIYSA-N 1 2 355.866 2.815 20 30 FFEDLO CC(C)C#CC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2)[C@@H]1C ZINC001316781371 1044943917 /nfs/dbraw/zinc/94/39/17/1044943917.db2.gz IMSSPJIRXHWFDT-PBHICJAKSA-N 1 2 361.873 2.517 20 30 FFEDLO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2)[C@@H]1C ZINC001316781371 1044943933 /nfs/dbraw/zinc/94/39/33/1044943933.db2.gz IMSSPJIRXHWFDT-PBHICJAKSA-N 1 2 361.873 2.517 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2cccs2)[C@@H]1C ZINC001316789671 1044979133 /nfs/dbraw/zinc/97/91/33/1044979133.db2.gz COMUJWLOCYHVMG-VYDXJSESSA-N 1 2 363.527 2.546 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2cccs2)[C@@H]1C ZINC001316789671 1044979143 /nfs/dbraw/zinc/97/91/43/1044979143.db2.gz COMUJWLOCYHVMG-VYDXJSESSA-N 1 2 363.527 2.546 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC#Cc2ccccc2)[C@H]1C ZINC001316799023 1045019026 /nfs/dbraw/zinc/01/90/26/1045019026.db2.gz JRGTVLLHQHQPRP-WBVHZDCISA-N 1 2 361.283 2.916 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC#Cc2ccccc2)[C@H]1C ZINC001316799023 1045019039 /nfs/dbraw/zinc/01/90/39/1045019039.db2.gz JRGTVLLHQHQPRP-WBVHZDCISA-N 1 2 361.283 2.916 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC001317461992 1045099258 /nfs/dbraw/zinc/09/92/58/1045099258.db2.gz VJBUPKYXKUBFEB-KGLIPLIRSA-N 1 2 361.467 2.542 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](C)Cc1ncc(-c2cccs2)o1 ZINC001317461992 1045099270 /nfs/dbraw/zinc/09/92/70/1045099270.db2.gz VJBUPKYXKUBFEB-KGLIPLIRSA-N 1 2 361.467 2.542 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2CC)c1 ZINC001281956513 1045257560 /nfs/dbraw/zinc/25/75/60/1045257560.db2.gz FUKNQVQRFUYHAO-YZGWKJHDSA-N 1 2 367.493 2.575 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2CC)c1 ZINC001281956513 1045257569 /nfs/dbraw/zinc/25/75/69/1045257569.db2.gz FUKNQVQRFUYHAO-YZGWKJHDSA-N 1 2 367.493 2.575 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2CCCC=C)CC1 ZINC001539454391 1070641711 /nfs/dbraw/zinc/64/17/11/1070641711.db2.gz MNXHRRITNBSTEK-UHFFFAOYSA-N 1 2 355.511 2.652 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001282491911 1045705241 /nfs/dbraw/zinc/70/52/41/1045705241.db2.gz PGDAZXPASPISKU-GDBMZVCRSA-N 1 2 354.454 2.744 20 30 FFEDLO C=CCO[C@H]1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC001323744137 1045707810 /nfs/dbraw/zinc/70/78/10/1045707810.db2.gz KGIUMIDWPWKVPV-HNNXBMFYSA-N 1 2 350.488 2.938 20 30 FFEDLO C=CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001284068239 1046477145 /nfs/dbraw/zinc/47/71/45/1046477145.db2.gz JMARGGOARKTWIV-SLUKUZTOSA-N 1 2 356.470 2.508 20 30 FFEDLO C=CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001284068239 1046477150 /nfs/dbraw/zinc/47/71/50/1046477150.db2.gz JMARGGOARKTWIV-SLUKUZTOSA-N 1 2 356.470 2.508 20 30 FFEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)[C@@H](CC#N)c2ccccc2)CC1 ZINC001287918214 1047371698 /nfs/dbraw/zinc/37/16/98/1047371698.db2.gz XRBMCZVLOALLMA-SFHVURJKSA-N 1 2 371.481 2.606 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001289380047 1047650345 /nfs/dbraw/zinc/65/03/45/1047650345.db2.gz DNBVIKWMCMMONI-DNVCBOLYSA-N 1 2 366.465 2.723 20 30 FFEDLO C[C@H]1C[NH+](C(C)(C)CNC(=O)C(F)(F)c2ccccc2C#N)C[C@H](C)O1 ZINC001540612358 1070947443 /nfs/dbraw/zinc/94/74/43/1070947443.db2.gz YKEOLVHFXSOQRG-KBPBESRZSA-N 1 2 365.424 2.654 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001290139844 1047851291 /nfs/dbraw/zinc/85/12/91/1047851291.db2.gz ZLXXRZUJDIWVRS-YESZJQIVSA-N 1 2 360.502 2.838 20 30 FFEDLO N#CCCC[C@@H]([NH3+])c1nc(CS(=O)(=O)Cc2ccc(Cl)cc2)no1 ZINC001329178301 1048608395 /nfs/dbraw/zinc/60/83/95/1048608395.db2.gz GFJLWOHFQMLESB-CYBMUJFWSA-N 1 2 368.846 2.532 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001292193487 1049173340 /nfs/dbraw/zinc/17/33/40/1049173340.db2.gz KDGYJHRZSPTREK-FPCVCCKLSA-N 1 2 358.486 2.538 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)CCc3c[nH]c[nH+]3)C2)CCC1 ZINC001292287395 1049245265 /nfs/dbraw/zinc/24/52/65/1049245265.db2.gz VSMVBCMIKVBHPI-KKSFZXQISA-N 1 2 370.497 2.586 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)CCc3c[nH+]c[nH]3)C2)CCC1 ZINC001292287395 1049245275 /nfs/dbraw/zinc/24/52/75/1049245275.db2.gz VSMVBCMIKVBHPI-KKSFZXQISA-N 1 2 370.497 2.586 20 30 FFEDLO C=CCO[C@H]1CCN(c2cc(C)[nH+]c(N3CC[C@H](OCC=C)C3)c2C#N)C1 ZINC001330653848 1049251511 /nfs/dbraw/zinc/25/15/11/1049251511.db2.gz SWQGULYHGUCKJA-ROUUACIJSA-N 1 2 368.481 2.824 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2c(F)ccc(Br)c2F)CC1 ZINC001293715939 1049615136 /nfs/dbraw/zinc/61/51/36/1049615136.db2.gz OXOUBBDOUWJWMW-UHFFFAOYSA-N 1 2 357.198 2.508 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2c(F)ccc(Br)c2F)CC1 ZINC001293715939 1049615143 /nfs/dbraw/zinc/61/51/43/1049615143.db2.gz OXOUBBDOUWJWMW-UHFFFAOYSA-N 1 2 357.198 2.508 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCCC[C@@H](SCC)C1 ZINC001339880213 1050297391 /nfs/dbraw/zinc/29/73/91/1050297391.db2.gz MYXANIUFJUQLAN-OAHLLOKOSA-N 1 2 360.531 2.900 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCc2ccsc2[C@H]1C ZINC001339880718 1050298283 /nfs/dbraw/zinc/29/82/83/1050298283.db2.gz WQBSCIGZBXUCBG-CYBMUJFWSA-N 1 2 354.483 2.974 20 30 FFEDLO C=C(C)Cn1c(N(Cc2ccco2)C(C)C)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001341739622 1050358429 /nfs/dbraw/zinc/35/84/29/1050358429.db2.gz LLOZKGMZOFZZQP-JXFKEZNVSA-N 1 2 373.501 2.774 20 30 FFEDLO C=C(C)Cn1c(N(Cc2ccco2)C(C)C)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001341739622 1050358441 /nfs/dbraw/zinc/35/84/41/1050358441.db2.gz LLOZKGMZOFZZQP-JXFKEZNVSA-N 1 2 373.501 2.774 20 30 FFEDLO C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2[nH+]ccn2C)n1CC ZINC001340054592 1050463577 /nfs/dbraw/zinc/46/35/77/1050463577.db2.gz SUPDGBGQEDNPCO-UHFFFAOYSA-N 1 2 361.453 2.687 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC(c2ccncn2)CC1 ZINC001341852894 1050464218 /nfs/dbraw/zinc/46/42/18/1050464218.db2.gz HJUYYYFUBIJKRK-UHFFFAOYSA-N 1 2 367.501 2.624 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCS[C@H](C(C)C)C1 ZINC001341868303 1050476613 /nfs/dbraw/zinc/47/66/13/1050476613.db2.gz MABKAOOJVUMDHL-HNNXBMFYSA-N 1 2 360.531 2.756 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001298906386 1050561335 /nfs/dbraw/zinc/56/13/35/1050561335.db2.gz AFHBOWZPFQNKSK-MRXNPFEDSA-N 1 2 365.518 2.742 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@@H](CF)C1 ZINC001340195931 1050604214 /nfs/dbraw/zinc/60/42/14/1050604214.db2.gz QHSQMXWWCJCGQM-BBWFWOEESA-N 1 2 363.481 2.576 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@@H](CF)C1 ZINC001340195931 1050604217 /nfs/dbraw/zinc/60/42/17/1050604217.db2.gz QHSQMXWWCJCGQM-BBWFWOEESA-N 1 2 363.481 2.576 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1Cc2ccccc2C1 ZINC001342022059 1050619706 /nfs/dbraw/zinc/61/97/06/1050619706.db2.gz XLQDYFCNZIHUCZ-GOSISDBHSA-N 1 2 353.470 2.766 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1Cc2ccccc2C1 ZINC001342022059 1050619713 /nfs/dbraw/zinc/61/97/13/1050619713.db2.gz XLQDYFCNZIHUCZ-GOSISDBHSA-N 1 2 353.470 2.766 20 30 FFEDLO C=CCn1c(CC(F)(F)F)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001340239478 1050647735 /nfs/dbraw/zinc/64/77/35/1050647735.db2.gz ZWOJHKTZXPDYCL-UHFFFAOYSA-N 1 2 366.391 2.593 20 30 FFEDLO CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001340442368 1050836163 /nfs/dbraw/zinc/83/61/63/1050836163.db2.gz MWUZPGGHPGVVKB-SFHVURJKSA-N 1 2 368.485 2.588 20 30 FFEDLO CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001340442368 1050836172 /nfs/dbraw/zinc/83/61/72/1050836172.db2.gz MWUZPGGHPGVVKB-SFHVURJKSA-N 1 2 368.485 2.588 20 30 FFEDLO C=CCn1c(N2CCCC3(CCCCC3)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340560601 1050947790 /nfs/dbraw/zinc/94/77/90/1050947790.db2.gz ZHDVHTNPSGBVSE-XLIONFOSSA-N 1 2 373.545 2.926 20 30 FFEDLO C=CCn1c(N2CCCC3(CCCCC3)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340560601 1050947797 /nfs/dbraw/zinc/94/77/97/1050947797.db2.gz ZHDVHTNPSGBVSE-XLIONFOSSA-N 1 2 373.545 2.926 20 30 FFEDLO C=CCn1c(N2CC(C)(C)CC(C)(C)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001340699982 1051065691 /nfs/dbraw/zinc/06/56/91/1051065691.db2.gz AHJIAZIAUAJCJI-YWZLYKJASA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CC(C)(C)CC(C)(C)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001340699982 1051065698 /nfs/dbraw/zinc/06/56/98/1051065698.db2.gz AHJIAZIAUAJCJI-YWZLYKJASA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCc2ccccc2[C@H](C)C1 ZINC001340733569 1051092254 /nfs/dbraw/zinc/09/22/54/1051092254.db2.gz RGFWYMIMJMYXKM-MRXNPFEDSA-N 1 2 362.481 2.955 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC001340784576 1051132105 /nfs/dbraw/zinc/13/21/05/1051132105.db2.gz SPVAYHRPFHTQTA-CABCVRRESA-N 1 2 362.499 2.781 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC001340784576 1051132111 /nfs/dbraw/zinc/13/21/11/1051132111.db2.gz SPVAYHRPFHTQTA-CABCVRRESA-N 1 2 362.499 2.781 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC001340784579 1051132643 /nfs/dbraw/zinc/13/26/43/1051132643.db2.gz SPVAYHRPFHTQTA-LSDHHAIUSA-N 1 2 362.499 2.781 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC001340784579 1051132646 /nfs/dbraw/zinc/13/26/46/1051132646.db2.gz SPVAYHRPFHTQTA-LSDHHAIUSA-N 1 2 362.499 2.781 20 30 FFEDLO CCOCCCn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC001342560333 1051164641 /nfs/dbraw/zinc/16/46/41/1051164641.db2.gz HUBPFVUMJWGLDW-ZACQAIPSSA-N 1 2 360.506 2.600 20 30 FFEDLO CCOCCCn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC001342560333 1051164642 /nfs/dbraw/zinc/16/46/42/1051164642.db2.gz HUBPFVUMJWGLDW-ZACQAIPSSA-N 1 2 360.506 2.600 20 30 FFEDLO C=CCN(CCc1ccco1)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1CC ZINC001341334460 1051690298 /nfs/dbraw/zinc/69/02/98/1051690298.db2.gz WHEYUSAMPJOGMW-SFHVURJKSA-N 1 2 373.501 2.908 20 30 FFEDLO C=CCN(CCc1ccco1)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1CC ZINC001341334460 1051690304 /nfs/dbraw/zinc/69/03/04/1051690304.db2.gz WHEYUSAMPJOGMW-SFHVURJKSA-N 1 2 373.501 2.908 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCO1 ZINC001343340778 1052173363 /nfs/dbraw/zinc/17/33/63/1052173363.db2.gz IUJYXEOBJHNFID-QZTJIDSGSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCO1 ZINC001343340778 1052173367 /nfs/dbraw/zinc/17/33/67/1052173367.db2.gz IUJYXEOBJHNFID-QZTJIDSGSA-N 1 2 372.517 2.744 20 30 FFEDLO CC(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CCC#N)CC1CC1 ZINC001343470482 1052252425 /nfs/dbraw/zinc/25/24/25/1052252425.db2.gz ULCOSGJNSPIQLJ-GOSISDBHSA-N 1 2 374.533 2.846 20 30 FFEDLO CC(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(CCC#N)CC1CC1 ZINC001343470482 1052252433 /nfs/dbraw/zinc/25/24/33/1052252433.db2.gz ULCOSGJNSPIQLJ-GOSISDBHSA-N 1 2 374.533 2.846 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@H]3CC[C@H](C(F)(F)F)O3)CC2)c(F)c1 ZINC001307449830 1052308990 /nfs/dbraw/zinc/30/89/90/1052308990.db2.gz NMXQIQNNCYFVRD-CZUORRHYSA-N 1 2 357.351 2.929 20 30 FFEDLO CCN(c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@H]1CCCO1)C(C)C ZINC001345322843 1052385430 /nfs/dbraw/zinc/38/54/30/1052385430.db2.gz UOVFJKONORXEQU-GOSISDBHSA-N 1 2 374.533 2.785 20 30 FFEDLO C=C(C)Cn1c([C@H](CC)CO)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001343719724 1052387751 /nfs/dbraw/zinc/38/77/51/1052387751.db2.gz LSWSQSUYJICAMI-MRXNPFEDSA-N 1 2 370.501 2.816 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1cccc(=O)[nH]1 ZINC001343769116 1052409988 /nfs/dbraw/zinc/40/99/88/1052409988.db2.gz VCYNIAQZQMIFEJ-MRXNPFEDSA-N 1 2 356.474 2.748 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)Cc1cccc(=O)[nH]1 ZINC001343769116 1052409992 /nfs/dbraw/zinc/40/99/92/1052409992.db2.gz VCYNIAQZQMIFEJ-MRXNPFEDSA-N 1 2 356.474 2.748 20 30 FFEDLO CCCN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@H]1CCCCO1 ZINC001345491919 1052472410 /nfs/dbraw/zinc/47/24/10/1052472410.db2.gz JCINHUFJDWJFRM-GOSISDBHSA-N 1 2 374.533 2.786 20 30 FFEDLO CCc1cccc(C(=O)OCC#Cc2csc(C[NH+]3CCOCC3)c2)n1 ZINC001345548027 1052502488 /nfs/dbraw/zinc/50/24/88/1052502488.db2.gz QBUVRRKPCKBQJU-UHFFFAOYSA-N 1 2 370.474 2.746 20 30 FFEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c(C2CCOCC2)n1 ZINC001308958309 1052526578 /nfs/dbraw/zinc/52/65/78/1052526578.db2.gz GPFBZFRTHXZVJP-FQEVSTJZSA-N 1 2 366.465 2.759 20 30 FFEDLO Cn1cc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c(C2CCOCC2)n1 ZINC001308958309 1052526585 /nfs/dbraw/zinc/52/65/85/1052526585.db2.gz GPFBZFRTHXZVJP-FQEVSTJZSA-N 1 2 366.465 2.759 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001344135963 1052619254 /nfs/dbraw/zinc/61/92/54/1052619254.db2.gz ZTNRLYVDRCOSBB-BRWVUGGUSA-N 1 2 370.497 2.567 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@H](CC#N)C2)n1C[C@H]1CCOC1 ZINC001346608807 1053153868 /nfs/dbraw/zinc/15/38/68/1053153868.db2.gz NGZAQSULFJBROS-KZNAEPCWSA-N 1 2 372.517 2.601 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@H](CC#N)C2)n1C[C@H]1CCOC1 ZINC001346608807 1053153874 /nfs/dbraw/zinc/15/38/74/1053153874.db2.gz NGZAQSULFJBROS-KZNAEPCWSA-N 1 2 372.517 2.601 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001346636979 1053173451 /nfs/dbraw/zinc/17/34/51/1053173451.db2.gz VREVRRPTXBEWDM-FQEVSTJZSA-N 1 2 359.518 2.847 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001346636980 1053173887 /nfs/dbraw/zinc/17/38/87/1053173887.db2.gz VREVRRPTXBEWDM-HXUWFJFHSA-N 1 2 359.518 2.847 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC([C@H]3C(=O)Nc4ccccc43)CC2)nn1 ZINC001347357940 1053885871 /nfs/dbraw/zinc/88/58/71/1053885871.db2.gz UGAFWOXMFUUDTE-LJQANCHMSA-N 1 2 351.454 2.802 20 30 FFEDLO CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001337185709 1054541082 /nfs/dbraw/zinc/54/10/82/1054541082.db2.gz KAFFQMAHWYARRT-ULQDDVLXSA-N 1 2 374.485 2.599 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc(Cc3[nH+]ccn3C)n2Cc2cccs2)C1 ZINC001348381639 1054663781 /nfs/dbraw/zinc/66/37/81/1054663781.db2.gz PJKGFIFUAMVHLD-OAHLLOKOSA-N 1 2 366.494 2.562 20 30 FFEDLO C=CCn1c([C@@H](C)SC)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001351818902 1055016235 /nfs/dbraw/zinc/01/62/35/1055016235.db2.gz LCOZKGBLRADBAI-CQSZACIVSA-N 1 2 362.503 2.507 20 30 FFEDLO C=CCn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1C(C)(C)C#N ZINC001352093315 1055186825 /nfs/dbraw/zinc/18/68/25/1055186825.db2.gz JDIKDEMAXMFWCE-UHFFFAOYSA-N 1 2 351.458 2.741 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C/C=C\C)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001356135252 1055320845 /nfs/dbraw/zinc/32/08/45/1055320845.db2.gz VCJXEASPISZFAC-SEOQBCOKSA-N 1 2 359.518 2.558 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C/C=C\C)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001356135252 1055320863 /nfs/dbraw/zinc/32/08/63/1055320863.db2.gz VCJXEASPISZFAC-SEOQBCOKSA-N 1 2 359.518 2.558 20 30 FFEDLO C#CCN(C)c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1Cc1cc(C)on1 ZINC001349758293 1055451039 /nfs/dbraw/zinc/45/10/39/1055451039.db2.gz MYCAFRHKMCNLDA-QGZVFWFLSA-N 1 2 367.457 2.524 20 30 FFEDLO C[C@@H](C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1)C(C)(F)F ZINC001350311178 1055718714 /nfs/dbraw/zinc/71/87/14/1055718714.db2.gz HVNLCUTZXCDFMP-ZDUSSCGKSA-N 1 2 357.422 2.766 20 30 FFEDLO C=C1CCC(C(=O)N[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)CC1 ZINC001356962487 1055727978 /nfs/dbraw/zinc/72/79/78/1055727978.db2.gz CFOAFNKSVOBWPE-CBGDNZLLSA-N 1 2 370.497 2.661 20 30 FFEDLO C=C1CCC(C(=O)N[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)CC1 ZINC001356962487 1055727988 /nfs/dbraw/zinc/72/79/88/1055727988.db2.gz CFOAFNKSVOBWPE-CBGDNZLLSA-N 1 2 370.497 2.661 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001350725509 1055909916 /nfs/dbraw/zinc/90/99/16/1055909916.db2.gz XJSBRKVTCYGUGH-SJLPKXTDSA-N 1 2 356.518 2.925 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1Cc2cc(F)c(F)cc2C1 ZINC001338926395 1055939198 /nfs/dbraw/zinc/93/91/98/1055939198.db2.gz ZWDBFFQEEFIDBK-UHFFFAOYSA-N 1 2 372.423 2.707 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2csc(Cc3ccccc3F)n2)CC1 ZINC001544078636 1071592339 /nfs/dbraw/zinc/59/23/39/1071592339.db2.gz KBJJECRLLAVKJD-UHFFFAOYSA-N 1 2 357.454 2.654 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2csc(Cc3ccccc3F)n2)CC1 ZINC001544078636 1071592343 /nfs/dbraw/zinc/59/23/43/1071592343.db2.gz KBJJECRLLAVKJD-UHFFFAOYSA-N 1 2 357.454 2.654 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001338994452 1055997920 /nfs/dbraw/zinc/99/79/20/1055997920.db2.gz CRJYPUUYMNHNHN-KRWDZBQOSA-N 1 2 367.501 2.687 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H](CF)C1 ZINC001339111494 1056104353 /nfs/dbraw/zinc/10/43/53/1056104353.db2.gz WEEBBQOBMDNZAJ-MRXNPFEDSA-N 1 2 360.481 2.743 20 30 FFEDLO COCCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1cccc(C#N)c1 ZINC001358263514 1056222452 /nfs/dbraw/zinc/22/24/52/1056222452.db2.gz QNEBJFUXJIAOKZ-SFHVURJKSA-N 1 2 368.485 2.589 20 30 FFEDLO COCCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)Cc1cccc(C#N)c1 ZINC001358263514 1056222465 /nfs/dbraw/zinc/22/24/65/1056222465.db2.gz QNEBJFUXJIAOKZ-SFHVURJKSA-N 1 2 368.485 2.589 20 30 FFEDLO CCC(C#N)(CC)c1nnc(N2CCC(Nc3cccc[nH+]3)CC2)n1C ZINC001339403306 1056418238 /nfs/dbraw/zinc/41/82/38/1056418238.db2.gz GFFZOYWOQJCVOB-UHFFFAOYSA-N 1 2 353.474 2.872 20 30 FFEDLO Cn1cc[nH+]c1C[C@H](NC(=O)Nc1ccn(CCC#N)n1)c1ccccc1 ZINC000610326049 1056429190 /nfs/dbraw/zinc/42/91/90/1056429190.db2.gz RTPCOHRVWSBRFI-INIZCTEOSA-N 1 2 363.425 2.636 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCn2nc(C3CC3)cc2C1 ZINC001339567868 1056592288 /nfs/dbraw/zinc/59/22/88/1056592288.db2.gz PXMQCVUWKJEVJV-UHFFFAOYSA-N 1 2 367.501 2.544 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1cccc(OCC#N)c1 ZINC001339617953 1056642917 /nfs/dbraw/zinc/64/29/17/1056642917.db2.gz COBUWQKMMVOCDX-UHFFFAOYSA-N 1 2 370.359 2.842 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CCCCC2)CC1 ZINC001359035194 1056667122 /nfs/dbraw/zinc/66/71/22/1056667122.db2.gz NZYYHNIRWCLWHU-IBGZPJMESA-N 1 2 371.529 2.855 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2CC(C)(C)COCC)CC1 ZINC001359035464 1056668601 /nfs/dbraw/zinc/66/86/01/1056668601.db2.gz VAZDCFGYCTVPLI-UHFFFAOYSA-N 1 2 373.545 2.754 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2Cc2ccc(CC)s2)CC1 ZINC001359037705 1056668612 /nfs/dbraw/zinc/66/86/12/1056668612.db2.gz UFIHKSLLSUVYDF-UHFFFAOYSA-N 1 2 369.538 2.658 20 30 FFEDLO C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1c[nH+]ccc1OC ZINC001359236723 1056852613 /nfs/dbraw/zinc/85/26/13/1056852613.db2.gz WQBFNGFHRBAANS-UHFFFAOYSA-N 1 2 360.421 2.891 20 30 FFEDLO C=CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001359237867 1056854997 /nfs/dbraw/zinc/85/49/97/1056854997.db2.gz PKJSVQVOTBCMLP-UHFFFAOYSA-N 1 2 374.452 2.535 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)CC#Cc3ccccc3)C2)c1 ZINC001544653077 1071673616 /nfs/dbraw/zinc/67/36/16/1071673616.db2.gz JSQNSYJQVVYDPL-QFIPXVFZSA-N 1 2 362.473 2.754 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)CC#Cc3ccccc3)C2)c1 ZINC001544653077 1071673618 /nfs/dbraw/zinc/67/36/18/1071673618.db2.gz JSQNSYJQVVYDPL-QFIPXVFZSA-N 1 2 362.473 2.754 20 30 FFEDLO CCc1nnc(N2CCC(CC#N)CC2)n1CCCNc1cccc[nH+]1 ZINC001498932807 1058199936 /nfs/dbraw/zinc/19/99/36/1058199936.db2.gz RDGLGNDECMBVCS-UHFFFAOYSA-N 1 2 353.474 2.868 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001519701867 1058972933 /nfs/dbraw/zinc/97/29/33/1058972933.db2.gz LXLCKWYFBJFOQL-AWEZNQCLSA-N 1 2 370.423 2.687 20 30 FFEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCO1 ZINC001514561562 1058983587 /nfs/dbraw/zinc/98/35/87/1058983587.db2.gz HMTYQQXIMCEBHQ-MSOLQXFVSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCO1 ZINC001514561562 1058983606 /nfs/dbraw/zinc/98/36/06/1058983606.db2.gz HMTYQQXIMCEBHQ-MSOLQXFVSA-N 1 2 372.517 2.744 20 30 FFEDLO CN(c1nnc(C[NH+]2CCCC2)n1C[C@@H]1CCCCO1)[C@@H]1CCC[C@@H]1C#N ZINC001519839360 1059119950 /nfs/dbraw/zinc/11/99/50/1059119950.db2.gz DIWPHFDGVQTXIU-FGTMMUONSA-N 1 2 372.517 2.571 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2C[C@H](C)Cc2cccs2)CC1 ZINC001300697653 1059388123 /nfs/dbraw/zinc/38/81/23/1059388123.db2.gz GFIUWOSWOKPDKH-MRXNPFEDSA-N 1 2 369.538 2.851 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2Cc2ccccc2CC)CC1 ZINC001300701297 1059408358 /nfs/dbraw/zinc/40/83/58/1059408358.db2.gz NVMQLBQMEXGDFB-UHFFFAOYSA-N 1 2 365.525 2.843 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC3CCCC3)n2CCSCC=C)CC1 ZINC001300706473 1059435756 /nfs/dbraw/zinc/43/57/56/1059435756.db2.gz NNHGBEYYYHGQPX-UHFFFAOYSA-N 1 2 373.570 2.685 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001515296242 1059513711 /nfs/dbraw/zinc/51/37/11/1059513711.db2.gz OFPPZXYLJWYNBA-CVEARBPZSA-N 1 2 371.489 2.696 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001515296242 1059513729 /nfs/dbraw/zinc/51/37/29/1059513729.db2.gz OFPPZXYLJWYNBA-CVEARBPZSA-N 1 2 371.489 2.696 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC(OC2CCCC2)CC1 ZINC001520596311 1059854710 /nfs/dbraw/zinc/85/47/10/1059854710.db2.gz LXFVNUIFEPDQEZ-UHFFFAOYSA-N 1 2 370.501 2.716 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H]1C ZINC001520736797 1060017048 /nfs/dbraw/zinc/01/70/48/1060017048.db2.gz NSOQCZWGUTZANV-NUJGCVRESA-N 1 2 358.486 2.708 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001509227739 1060031425 /nfs/dbraw/zinc/03/14/25/1060031425.db2.gz JGEITNKSUGVNTQ-BZUAXINKSA-N 1 2 360.502 2.715 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001509227739 1060031442 /nfs/dbraw/zinc/03/14/42/1060031442.db2.gz JGEITNKSUGVNTQ-BZUAXINKSA-N 1 2 360.502 2.715 20 30 FFEDLO C#CCCCCCC(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001510162631 1060182992 /nfs/dbraw/zinc/18/29/92/1060182992.db2.gz QXGFQZWOEHPXQT-QZTJIDSGSA-N 1 2 370.497 2.546 20 30 FFEDLO C#CCCCCCC(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001510162631 1060183005 /nfs/dbraw/zinc/18/30/05/1060183005.db2.gz QXGFQZWOEHPXQT-QZTJIDSGSA-N 1 2 370.497 2.546 20 30 FFEDLO Cn1c([C@H]2CCC[N@@H+]2Cc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001355564407 1060364365 /nfs/dbraw/zinc/36/43/65/1060364365.db2.gz DLLYRLBEGFNZAX-VQIMIIECSA-N 1 2 354.433 2.594 20 30 FFEDLO Cn1c([C@H]2CCC[N@H+]2Cc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001355564407 1060364388 /nfs/dbraw/zinc/36/43/88/1060364388.db2.gz DLLYRLBEGFNZAX-VQIMIIECSA-N 1 2 354.433 2.594 20 30 FFEDLO CN(Cc1ccc(C#N)cc1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001355603258 1060408498 /nfs/dbraw/zinc/40/84/98/1060408498.db2.gz QMKCRULRVZRMJN-UHFFFAOYSA-N 1 2 361.361 2.924 20 30 FFEDLO N#Cc1cc(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)c([N+](=O)[O-])s1 ZINC001458165320 1060529521 /nfs/dbraw/zinc/52/95/21/1060529521.db2.gz YMOCQFNKKJEMKD-UHFFFAOYSA-N 1 2 371.422 2.973 20 30 FFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001521342402 1060542535 /nfs/dbraw/zinc/54/25/35/1060542535.db2.gz HEGVCOXHMQPRCR-HIFRSBDPSA-N 1 2 370.950 2.733 20 30 FFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001521342402 1060542558 /nfs/dbraw/zinc/54/25/58/1060542558.db2.gz HEGVCOXHMQPRCR-HIFRSBDPSA-N 1 2 370.950 2.733 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCc2ccccc2C1 ZINC001355886956 1060695601 /nfs/dbraw/zinc/69/56/01/1060695601.db2.gz MTLAHCWJGIGTFJ-LJQANCHMSA-N 1 2 367.497 2.809 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCc2ccccc2C1 ZINC001355886956 1060695604 /nfs/dbraw/zinc/69/56/04/1060695604.db2.gz MTLAHCWJGIGTFJ-LJQANCHMSA-N 1 2 367.497 2.809 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)C/C(C)=C\c1ccccc1 ZINC001355921005 1060729655 /nfs/dbraw/zinc/72/96/55/1060729655.db2.gz ZPMQGQVFIZYQSN-IMZBMNNASA-N 1 2 367.497 2.741 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)C/C(C)=C\c1ccccc1 ZINC001355921005 1060729673 /nfs/dbraw/zinc/72/96/73/1060729673.db2.gz ZPMQGQVFIZYQSN-IMZBMNNASA-N 1 2 367.497 2.741 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCOc2ccc(O)cc2C1 ZINC001355928801 1060735516 /nfs/dbraw/zinc/73/55/16/1060735516.db2.gz FGLLUSVLDLXKEV-KRWDZBQOSA-N 1 2 369.469 2.726 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCOc2ccc(O)cc2C1 ZINC001355928801 1060735523 /nfs/dbraw/zinc/73/55/23/1060735523.db2.gz FGLLUSVLDLXKEV-KRWDZBQOSA-N 1 2 369.469 2.726 20 30 FFEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC001460123498 1060903037 /nfs/dbraw/zinc/90/30/37/1060903037.db2.gz KGMUPQPDDNWNMO-UHFFFAOYSA-N 1 2 367.424 2.963 20 30 FFEDLO C[N@@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)C[C@@H](O)c1cccc(C#N)c1 ZINC001460355395 1060978577 /nfs/dbraw/zinc/97/85/77/1060978577.db2.gz CMIHPPSEDXYIBZ-LJQANCHMSA-N 1 2 367.840 2.958 20 30 FFEDLO C[N@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)C[C@@H](O)c1cccc(C#N)c1 ZINC001460355395 1060978601 /nfs/dbraw/zinc/97/86/01/1060978601.db2.gz CMIHPPSEDXYIBZ-LJQANCHMSA-N 1 2 367.840 2.958 20 30 FFEDLO C[N@@H+]1CCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccccc1 ZINC001522311470 1061918318 /nfs/dbraw/zinc/91/83/18/1061918318.db2.gz IUDPEGQRIUSXAM-PXNSSMCTSA-N 1 2 368.460 2.729 20 30 FFEDLO C[N@H+]1CCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccccc1 ZINC001522311470 1061918340 /nfs/dbraw/zinc/91/83/40/1061918340.db2.gz IUDPEGQRIUSXAM-PXNSSMCTSA-N 1 2 368.460 2.729 20 30 FFEDLO N#CC[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC001523113349 1062382405 /nfs/dbraw/zinc/38/24/05/1062382405.db2.gz CHKRVOZKGVYUFY-LEWJYISDSA-N 1 2 363.461 2.701 20 30 FFEDLO N#CC[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC001523113349 1062382420 /nfs/dbraw/zinc/38/24/20/1062382420.db2.gz CHKRVOZKGVYUFY-LEWJYISDSA-N 1 2 363.461 2.701 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CC[N@@H+]1CC(=O)Nc1ccc(C)cc1C ZINC001479634546 1062666954 /nfs/dbraw/zinc/66/69/54/1062666954.db2.gz CRENWGWLAVUABB-VQTJNVASSA-N 1 2 369.509 2.870 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CC[N@H+]1CC(=O)Nc1ccc(C)cc1C ZINC001479634546 1062666961 /nfs/dbraw/zinc/66/69/61/1062666961.db2.gz CRENWGWLAVUABB-VQTJNVASSA-N 1 2 369.509 2.870 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@@H+]1CC(=O)Nc1ccc(C)c(C)c1 ZINC001479635032 1062669299 /nfs/dbraw/zinc/66/92/99/1062669299.db2.gz SLBQLSFGLZGPDS-VQTJNVASSA-N 1 2 367.493 2.624 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@H+]1CC(=O)Nc1ccc(C)c(C)c1 ZINC001479635032 1062669306 /nfs/dbraw/zinc/66/93/06/1062669306.db2.gz SLBQLSFGLZGPDS-VQTJNVASSA-N 1 2 367.493 2.624 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CC#Cc2ccccc2)CC[N@@H+]1Cc1ncc(C)cn1 ZINC001479647277 1062726239 /nfs/dbraw/zinc/72/62/39/1062726239.db2.gz IQZLEPXASHDYOF-VQTJNVASSA-N 1 2 362.477 2.696 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CC#Cc2ccccc2)CC[N@H+]1Cc1ncc(C)cn1 ZINC001479647277 1062726260 /nfs/dbraw/zinc/72/62/60/1062726260.db2.gz IQZLEPXASHDYOF-VQTJNVASSA-N 1 2 362.477 2.696 20 30 FFEDLO C=CCC1(C(=O)NC[C@H](CC)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001531300440 1062738033 /nfs/dbraw/zinc/73/80/33/1062738033.db2.gz PFGAXHRARXNKQJ-ARFHVFGLSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCC1(C(=O)NC[C@H](CC)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001531300440 1062738053 /nfs/dbraw/zinc/73/80/53/1062738053.db2.gz PFGAXHRARXNKQJ-ARFHVFGLSA-N 1 2 358.486 2.661 20 30 FFEDLO CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001495564142 1063512823 /nfs/dbraw/zinc/51/28/23/1063512823.db2.gz USBSSEIICXIWAQ-ABSDTBQOSA-N 1 2 374.533 2.642 20 30 FFEDLO C#CC[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)c2cc(Cl)ccc2C)CC1 ZINC001574985967 1078097646 /nfs/dbraw/zinc/09/76/46/1078097646.db2.gz PNKDRVVXBGDGSL-UHFFFAOYSA-N 1 2 371.872 2.507 20 30 FFEDLO C=CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cn[nH]n2)CC1)c1ccccc1 ZINC001575078180 1078103974 /nfs/dbraw/zinc/10/39/74/1078103974.db2.gz GZJZRBYWBNRPLV-GOSISDBHSA-N 1 2 353.470 2.635 20 30 FFEDLO Cc1ccccc1[C@H]1C[N@H+](Cc2cc(=O)n3ncc(C#N)c3[nH]2)[C@H](C)CO1 ZINC001473173583 1065212090 /nfs/dbraw/zinc/21/20/90/1065212090.db2.gz OARKFXTZGPDGIF-RDTXWAMCSA-N 1 2 363.421 2.577 20 30 FFEDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cc(=O)n3ncc(C#N)c3[nH]2)[C@H](C)CO1 ZINC001473173583 1065212101 /nfs/dbraw/zinc/21/21/01/1065212101.db2.gz OARKFXTZGPDGIF-RDTXWAMCSA-N 1 2 363.421 2.577 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC001473619591 1065299267 /nfs/dbraw/zinc/29/92/67/1065299267.db2.gz HPTNLDMBVBCROA-QGZVFWFLSA-N 1 2 361.804 2.955 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccc(F)cc1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC001473619591 1065299280 /nfs/dbraw/zinc/29/92/80/1065299280.db2.gz HPTNLDMBVBCROA-QGZVFWFLSA-N 1 2 361.804 2.955 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001582350699 1079042676 /nfs/dbraw/zinc/04/26/76/1079042676.db2.gz CNFVFRFQIAWPND-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001582350699 1079042680 /nfs/dbraw/zinc/04/26/80/1079042680.db2.gz CNFVFRFQIAWPND-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001584711434 1079380757 /nfs/dbraw/zinc/38/07/57/1079380757.db2.gz FEEJNWARAGQHMO-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001584711434 1079380766 /nfs/dbraw/zinc/38/07/66/1079380766.db2.gz FEEJNWARAGQHMO-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO COc1cc[nH+]cc1Cn1c(C(C)C)nnc1N1CCC(C)(C#N)CC1 ZINC001555120550 1075645210 /nfs/dbraw/zinc/64/52/10/1075645210.db2.gz MDXWHWCIWLWWSZ-UHFFFAOYSA-N 1 2 354.458 2.983 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001558560926 1076032950 /nfs/dbraw/zinc/03/29/50/1076032950.db2.gz KYZDIFCMLVLNER-UHFFFAOYSA-N 1 2 356.426 2.889 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001558560926 1076032954 /nfs/dbraw/zinc/03/29/54/1076032954.db2.gz KYZDIFCMLVLNER-UHFFFAOYSA-N 1 2 356.426 2.889 20 30 FFEDLO N#C[C@@H](C1CCCC1)n1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC001559370889 1076153313 /nfs/dbraw/zinc/15/33/13/1076153313.db2.gz OLZXJMOWEJCBGN-ZWKOTPCHSA-N 1 2 352.442 2.501 20 30 FFEDLO N#C[C@@H](C1CCCC1)n1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC001559370889 1076153317 /nfs/dbraw/zinc/15/33/17/1076153317.db2.gz OLZXJMOWEJCBGN-ZWKOTPCHSA-N 1 2 352.442 2.501 20 30 FFEDLO N#Cc1cccc([C@H](NC(=O)NCCNc2cccc[nH+]2)C(F)(F)F)c1 ZINC001563210626 1076529133 /nfs/dbraw/zinc/52/91/33/1076529133.db2.gz HSWUXIWOIXDPEF-HNNXBMFYSA-N 1 2 363.343 2.968 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NCC)CC[C@@H]1c1ccccc1 ZINC001565999550 1076834828 /nfs/dbraw/zinc/83/48/28/1076834828.db2.gz WJBLDEJEKICVCB-RTBURBONSA-N 1 2 371.525 2.699 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC)CC[C@@H]1c1ccccc1 ZINC001565999550 1076834834 /nfs/dbraw/zinc/83/48/34/1076834834.db2.gz WJBLDEJEKICVCB-RTBURBONSA-N 1 2 371.525 2.699 20 30 FFEDLO C[C@@H]1CC(NC(=O)[C@H](c2cccc(Br)c2)[NH+]2CCCC2)=NO1 ZINC001567210321 1077005431 /nfs/dbraw/zinc/00/54/31/1077005431.db2.gz HVYGADVJCKHVHU-ABAIWWIYSA-N 1 2 366.259 2.825 20 30 FFEDLO C=C(CCC(=O)OC)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC001568005674 1077066049 /nfs/dbraw/zinc/06/60/49/1077066049.db2.gz BVGKHHFXTQKBCG-QGZVFWFLSA-N 1 2 374.481 2.627 20 30 FFEDLO C=C(CCC(=O)OC)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC001568005674 1077066053 /nfs/dbraw/zinc/06/60/53/1077066053.db2.gz BVGKHHFXTQKBCG-QGZVFWFLSA-N 1 2 374.481 2.627 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001573084110 1077522396 /nfs/dbraw/zinc/52/23/96/1077522396.db2.gz QYYBIYRAGSAMAL-QZTJIDSGSA-N 1 2 366.465 2.914 20 30 FFEDLO C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001573848916 1077819017 /nfs/dbraw/zinc/81/90/17/1077819017.db2.gz WGJJAAJIJLPRRO-CRAIPNDOSA-N 1 2 368.481 2.823 20 30 FFEDLO C#CCCCCn1c(C(C)C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001587701538 1079846464 /nfs/dbraw/zinc/84/64/64/1079846464.db2.gz FQUMOCBVQLETAM-UHFFFAOYSA-N 1 2 367.501 2.630 20 30 FFEDLO C#CCCCn1c([C@@H](C)CC)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001587808401 1079869719 /nfs/dbraw/zinc/86/97/19/1079869719.db2.gz QWAUEWYFEPOWNY-INIZCTEOSA-N 1 2 370.501 2.824 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(F)c2)CC1 ZINC001588732557 1080175143 /nfs/dbraw/zinc/17/51/43/1080175143.db2.gz CMTKTEAAGKCYGL-UHFFFAOYSA-N 1 2 355.461 2.518 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2Cc2cccc(OC)c2)CC1 ZINC001588741889 1080177469 /nfs/dbraw/zinc/17/74/69/1080177469.db2.gz JXKSCGCQJUTVTF-KRWDZBQOSA-N 1 2 367.497 2.604 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2Cc2cccc(C)c2)CC1 ZINC001588741806 1080177495 /nfs/dbraw/zinc/17/74/95/1080177495.db2.gz IFFFRLIQWUSIOB-GOSISDBHSA-N 1 2 351.498 2.904 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2CCc2ccc(C)cc2)CC1 ZINC001588837085 1080212736 /nfs/dbraw/zinc/21/27/36/1080212736.db2.gz QHXOPIKRZQWRAQ-UHFFFAOYSA-N 1 2 365.525 2.783 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH+]2CCC(O)CC2)c1C#N ZINC000027536939 249344895 /nfs/dbraw/zinc/34/48/95/249344895.db2.gz WTOQTXQWVULEGR-UHFFFAOYSA-N 1 2 358.486 2.877 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccnc3C(F)(F)F)CC2)cc1 ZINC000276694053 256121995 /nfs/dbraw/zinc/12/19/95/256121995.db2.gz XTGNBTYFEYYEOS-UHFFFAOYSA-N 1 2 374.366 2.930 20 30 FFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1cc(C#N)ccc1Br ZINC000286176415 257024061 /nfs/dbraw/zinc/02/40/61/257024061.db2.gz WZRCJXOHZMJUBT-CZUORRHYSA-N 1 2 364.287 2.616 20 30 FFEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000286745603 257053102 /nfs/dbraw/zinc/05/31/02/257053102.db2.gz FXORSOCWGLXATN-UHFFFAOYSA-N 1 2 362.271 2.811 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCCSC3)CC2)cc1 ZINC000287940459 257131974 /nfs/dbraw/zinc/13/19/74/257131974.db2.gz KLYHTABVHAXXIQ-GOSISDBHSA-N 1 2 358.511 2.529 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(C#N)ccn2)[C@@H](C)C1 ZINC000288126620 257150046 /nfs/dbraw/zinc/15/00/46/257150046.db2.gz KJZQMRCLEGYJCC-INIZCTEOSA-N 1 2 364.449 2.698 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(C#N)ccn2)[C@@H](C)C1 ZINC000288126620 257150048 /nfs/dbraw/zinc/15/00/48/257150048.db2.gz KJZQMRCLEGYJCC-INIZCTEOSA-N 1 2 364.449 2.698 20 30 FFEDLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1c(F)cccc1Cl ZINC000289748222 257296990 /nfs/dbraw/zinc/29/69/90/257296990.db2.gz HKZCSKNYUXNJFE-LLVKDONJSA-N 1 2 367.833 2.870 20 30 FFEDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000301070771 258022761 /nfs/dbraw/zinc/02/27/61/258022761.db2.gz GTWRNVNCSAQARH-HOTGVXAUSA-N 1 2 358.461 2.514 20 30 FFEDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000299592199 258008688 /nfs/dbraw/zinc/00/86/88/258008688.db2.gz FXGVAJFYJABWCH-UHFFFAOYSA-N 1 2 364.405 2.733 20 30 FFEDLO CC(C)c1nc(C2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)no1 ZINC000299636760 258012566 /nfs/dbraw/zinc/01/25/66/258012566.db2.gz JSLVDYMYIKVZNV-UHFFFAOYSA-N 1 2 367.453 2.560 20 30 FFEDLO Cc1cc(C2CC[NH+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)[nH]n1 ZINC000299730810 258021280 /nfs/dbraw/zinc/02/12/80/258021280.db2.gz WXFZELYSDKYRMC-MRXNPFEDSA-N 1 2 355.467 2.636 20 30 FFEDLO Cc1cc(C2CC[NH+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)n[nH]1 ZINC000299730810 258021282 /nfs/dbraw/zinc/02/12/82/258021282.db2.gz WXFZELYSDKYRMC-MRXNPFEDSA-N 1 2 355.467 2.636 20 30 FFEDLO N#Cc1nc(NCc2ccccc2OCC[NH+]2CCOCC2)ccc1Cl ZINC000301507750 258053025 /nfs/dbraw/zinc/05/30/25/258053025.db2.gz HMBLVQOATCSTCC-UHFFFAOYSA-N 1 2 372.856 2.930 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000332546159 258234789 /nfs/dbraw/zinc/23/47/89/258234789.db2.gz MWXYWWBBHCXRCC-QRVBRYPASA-N 1 2 368.525 2.569 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000332546159 258234790 /nfs/dbraw/zinc/23/47/90/258234790.db2.gz MWXYWWBBHCXRCC-QRVBRYPASA-N 1 2 368.525 2.569 20 30 FFEDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000110306223 132246429 /nfs/dbraw/zinc/24/64/29/132246429.db2.gz XOWCFVSWDUWBPU-SJLPKXTDSA-N 1 2 372.488 2.999 20 30 FFEDLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801470 506253534 /nfs/dbraw/zinc/25/35/34/506253534.db2.gz AFCXQDHKEMKVPM-QGZVFWFLSA-N 1 2 373.464 2.807 20 30 FFEDLO C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801470 506253539 /nfs/dbraw/zinc/25/35/39/506253539.db2.gz AFCXQDHKEMKVPM-QGZVFWFLSA-N 1 2 373.464 2.807 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1C#N ZINC000065420824 506296519 /nfs/dbraw/zinc/29/65/19/506296519.db2.gz HLZHYEUOXUAHFK-LBPRGKRZSA-N 1 2 362.499 2.621 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1C#N ZINC000065420824 506296526 /nfs/dbraw/zinc/29/65/26/506296526.db2.gz HLZHYEUOXUAHFK-LBPRGKRZSA-N 1 2 362.499 2.621 20 30 FFEDLO N#Cc1ccc(NC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000003567675 506342736 /nfs/dbraw/zinc/34/27/36/506342736.db2.gz IINNCGWJVPHKDG-UHFFFAOYSA-N 1 2 354.841 2.972 20 30 FFEDLO C=CC[C@@]1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCCN1C(=O)OC(C)(C)C ZINC000368977406 512165729 /nfs/dbraw/zinc/16/57/29/512165729.db2.gz GFKKNTAOZOGWQU-VLIAUNLRSA-N 1 2 374.485 2.729 20 30 FFEDLO C=CC[C@@]1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCCN1C(=O)OC(C)(C)C ZINC000368977406 512165734 /nfs/dbraw/zinc/16/57/34/512165734.db2.gz GFKKNTAOZOGWQU-VLIAUNLRSA-N 1 2 374.485 2.729 20 30 FFEDLO N#Cc1ccc(OC2C[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000410044692 512190387 /nfs/dbraw/zinc/19/03/87/512190387.db2.gz WDHSGEIRMSLQKL-UHFFFAOYSA-N 1 2 366.377 2.558 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000369078870 512218715 /nfs/dbraw/zinc/21/87/15/512218715.db2.gz PXQOBFPBSCWXKQ-UHFFFAOYSA-N 1 2 364.327 2.836 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cccc(Br)c2OC)C1=O ZINC000410384364 512250672 /nfs/dbraw/zinc/25/06/72/512250672.db2.gz UQXAIUYXSOVFLY-AWEZNQCLSA-N 1 2 353.260 2.676 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cccc(Br)c2OC)C1=O ZINC000410384364 512250676 /nfs/dbraw/zinc/25/06/76/512250676.db2.gz UQXAIUYXSOVFLY-AWEZNQCLSA-N 1 2 353.260 2.676 20 30 FFEDLO CC[N@@H+](CC(=O)NCCc1ccc(OC(F)(F)F)cc1)C[C@H](C)C#N ZINC000066424876 506513660 /nfs/dbraw/zinc/51/36/60/506513660.db2.gz GWVGYLCSRPEMIR-CYBMUJFWSA-N 1 2 357.376 2.725 20 30 FFEDLO CC[N@H+](CC(=O)NCCc1ccc(OC(F)(F)F)cc1)C[C@H](C)C#N ZINC000066424876 506513665 /nfs/dbraw/zinc/51/36/65/506513665.db2.gz GWVGYLCSRPEMIR-CYBMUJFWSA-N 1 2 357.376 2.725 20 30 FFEDLO Cc1ccccc1N1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000006982895 506522152 /nfs/dbraw/zinc/52/21/52/506522152.db2.gz QOVOJILVRXQWAM-UHFFFAOYSA-N 1 2 354.498 2.802 20 30 FFEDLO C=CC[N@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)Cc1ccc(OC)cc1 ZINC000054273005 506527337 /nfs/dbraw/zinc/52/73/37/506527337.db2.gz CKVGMOBARFEPJI-FQEVSTJZSA-N 1 2 366.461 2.803 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)Cc1ccc(OC)cc1 ZINC000054273005 506527350 /nfs/dbraw/zinc/52/73/50/506527350.db2.gz CKVGMOBARFEPJI-FQEVSTJZSA-N 1 2 366.461 2.803 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000054272353 506527791 /nfs/dbraw/zinc/52/77/91/506527791.db2.gz YEFHVIHCEALEGZ-UHFFFAOYSA-N 1 2 355.394 2.891 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000054272353 506527794 /nfs/dbraw/zinc/52/77/94/506527794.db2.gz YEFHVIHCEALEGZ-UHFFFAOYSA-N 1 2 355.394 2.891 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000054373395 506546854 /nfs/dbraw/zinc/54/68/54/506546854.db2.gz GYPJKEVWNIBIFU-UHFFFAOYSA-N 1 2 364.405 2.637 20 30 FFEDLO C=CC[N@@H+](Cc1cc(=O)oc2c(C)c(C)ccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000066560973 506555509 /nfs/dbraw/zinc/55/55/09/506555509.db2.gz GHZJJSHZBJXOOI-MRXNPFEDSA-N 1 2 361.463 2.585 20 30 FFEDLO C=CC[N@H+](Cc1cc(=O)oc2c(C)c(C)ccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000066560973 506555519 /nfs/dbraw/zinc/55/55/19/506555519.db2.gz GHZJJSHZBJXOOI-MRXNPFEDSA-N 1 2 361.463 2.585 20 30 FFEDLO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1C#N ZINC000007361221 506556022 /nfs/dbraw/zinc/55/60/22/506556022.db2.gz ODSFTRQFAFGFAC-UHFFFAOYSA-N 1 2 351.406 2.790 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1C#N ZINC000007361221 506556026 /nfs/dbraw/zinc/55/60/26/506556026.db2.gz ODSFTRQFAFGFAC-UHFFFAOYSA-N 1 2 351.406 2.790 20 30 FFEDLO N#CCCN(C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000369225329 512292048 /nfs/dbraw/zinc/29/20/48/512292048.db2.gz OUQNDANWLOMRKN-UHFFFAOYSA-N 1 2 373.460 2.886 20 30 FFEDLO N#CC1(NC(=O)CN2CC[NH+](C/C=C/c3ccccc3)CC2)CCCCC1 ZINC000042978799 506684497 /nfs/dbraw/zinc/68/44/97/506684497.db2.gz LIHYMTLNPLGXAI-JXMROGBWSA-N 1 2 366.509 2.660 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000373377184 512299970 /nfs/dbraw/zinc/29/99/70/512299970.db2.gz MAAKAXQHLKXBBI-ICSRJNTNSA-N 1 2 352.438 2.799 20 30 FFEDLO N#Cc1cccc([C@H]2CN(Cc3[nH+]ccn3CC(F)(F)F)CCO2)c1 ZINC000371297661 512314701 /nfs/dbraw/zinc/31/47/01/512314701.db2.gz MRUZJZSQLZTVGH-OAHLLOKOSA-N 1 2 350.344 2.891 20 30 FFEDLO C=CCOc1cccc(NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000056612911 507057334 /nfs/dbraw/zinc/05/73/34/507057334.db2.gz POEWRZZMODDRIC-UHFFFAOYSA-N 1 2 368.437 2.805 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccc(C#N)cc1 ZINC000046528986 507150610 /nfs/dbraw/zinc/15/06/10/507150610.db2.gz NEXCNPLXXGRFJD-UHFFFAOYSA-N 1 2 359.227 2.786 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccc(C#N)cc1 ZINC000046528986 507150618 /nfs/dbraw/zinc/15/06/18/507150618.db2.gz NEXCNPLXXGRFJD-UHFFFAOYSA-N 1 2 359.227 2.786 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(N(C)C(C)=O)CC1 ZINC000068577169 507278208 /nfs/dbraw/zinc/27/82/08/507278208.db2.gz OSRGVUHWCFHMNO-UHFFFAOYSA-N 1 2 361.511 2.846 20 30 FFEDLO C=CCOc1ccccc1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000047187050 507279144 /nfs/dbraw/zinc/27/91/44/507279144.db2.gz GZDVQNAAIHVGHE-MRXNPFEDSA-N 1 2 367.449 2.802 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781648 507308137 /nfs/dbraw/zinc/30/81/37/507308137.db2.gz FUKXGVPQNAZHNN-DBXWQHBBSA-N 1 2 368.525 2.759 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000022781648 507308147 /nfs/dbraw/zinc/30/81/47/507308147.db2.gz FUKXGVPQNAZHNN-DBXWQHBBSA-N 1 2 368.525 2.759 20 30 FFEDLO COc1ccc(OC)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000023146024 507335412 /nfs/dbraw/zinc/33/54/12/507335412.db2.gz CDDJWKFVTROGGS-UHFFFAOYSA-N 1 2 365.433 2.533 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1F ZINC000047461862 507339882 /nfs/dbraw/zinc/33/98/82/507339882.db2.gz DOFKGPUWSYLRIB-UHFFFAOYSA-N 1 2 356.401 2.894 20 30 FFEDLO CC1CC[NH+](Cc2csc(NC(=O)CN3CCC(C#N)CC3)n2)CC1 ZINC000057875045 507346559 /nfs/dbraw/zinc/34/65/59/507346559.db2.gz NNLUJSLDJDUNQX-UHFFFAOYSA-N 1 2 361.515 2.549 20 30 FFEDLO CN(C)C(=O)c1cccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000060464606 507545727 /nfs/dbraw/zinc/54/57/27/507545727.db2.gz FMAHQDZKDKORSV-UHFFFAOYSA-N 1 2 362.477 2.578 20 30 FFEDLO N#Cc1ccc(OCC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000027471592 507660919 /nfs/dbraw/zinc/66/09/19/507660919.db2.gz KJTQWRDKWKVBSV-UHFFFAOYSA-N 1 2 360.417 2.541 20 30 FFEDLO C=CC[N@@H+](CC(=O)NCCOc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000063299817 507713707 /nfs/dbraw/zinc/71/37/07/507713707.db2.gz HJFVGGYBSWNULJ-UHFFFAOYSA-N 1 2 367.424 2.881 20 30 FFEDLO C=CC[N@H+](CC(=O)NCCOc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000063299817 507713710 /nfs/dbraw/zinc/71/37/10/507713710.db2.gz HJFVGGYBSWNULJ-UHFFFAOYSA-N 1 2 367.424 2.881 20 30 FFEDLO COCC[N@H+](CC(=O)N[C@H](C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000063754339 507767826 /nfs/dbraw/zinc/76/78/26/507767826.db2.gz KZBANUOHULYXDU-QGZVFWFLSA-N 1 2 351.450 2.884 20 30 FFEDLO COCC[N@@H+](CC(=O)N[C@H](C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000063754339 507767831 /nfs/dbraw/zinc/76/78/31/507767831.db2.gz KZBANUOHULYXDU-QGZVFWFLSA-N 1 2 351.450 2.884 20 30 FFEDLO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(C#N)cc1F ZINC000029595678 507783233 /nfs/dbraw/zinc/78/32/33/507783233.db2.gz OIAQZIRMGDGJRX-UHFFFAOYSA-N 1 2 369.396 2.929 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(C#N)cc1F ZINC000029595678 507783238 /nfs/dbraw/zinc/78/32/38/507783238.db2.gz OIAQZIRMGDGJRX-UHFFFAOYSA-N 1 2 369.396 2.929 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000029784868 507790958 /nfs/dbraw/zinc/79/09/58/507790958.db2.gz OGKNCTJKPLSQSS-INIZCTEOSA-N 1 2 360.417 2.887 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029856837 507793395 /nfs/dbraw/zinc/79/33/95/507793395.db2.gz OBSAEGVEENIBEH-HNNXBMFYSA-N 1 2 352.413 2.847 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3sccc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000052031036 507794613 /nfs/dbraw/zinc/79/46/13/507794613.db2.gz DEPFMIWMADMCPL-BETUJISGSA-N 1 2 356.451 2.558 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SC ZINC000031041581 507816621 /nfs/dbraw/zinc/81/66/21/507816621.db2.gz CKHVUWGILYUCSA-HNNXBMFYSA-N 1 2 361.511 2.868 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000031041581 507816622 /nfs/dbraw/zinc/81/66/22/507816622.db2.gz CKHVUWGILYUCSA-HNNXBMFYSA-N 1 2 361.511 2.868 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)N2CC[C@H]([NH+]3CCN(CC)CC3)C2)c1 ZINC000106945722 507830137 /nfs/dbraw/zinc/83/01/37/507830137.db2.gz YWZHQCPXDGWBEP-IBGZPJMESA-N 1 2 372.513 2.885 20 30 FFEDLO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078269203 507852982 /nfs/dbraw/zinc/85/29/82/507852982.db2.gz XBDHHQDUGDFBTR-ICSRJNTNSA-N 1 2 354.498 2.516 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c1C ZINC000089925673 507884939 /nfs/dbraw/zinc/88/49/39/507884939.db2.gz VQPGVXSRDNARQH-FQEVSTJZSA-N 1 2 370.497 2.653 20 30 FFEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC[C@H](C)C#N)c1 ZINC000091280902 507978566 /nfs/dbraw/zinc/97/85/66/507978566.db2.gz NUUMIILLNOSOMA-CQSZACIVSA-N 1 2 353.426 2.565 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000091980720 508029595 /nfs/dbraw/zinc/02/95/95/508029595.db2.gz ABEYZLZBBDBFQO-IRXDYDNUSA-N 1 2 360.477 2.512 20 30 FFEDLO C=CC[N@H+](Cc1cccc(OCc2ccccn2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361714 508064632 /nfs/dbraw/zinc/06/46/32/508064632.db2.gz QWKFWJLPLIRAJU-IBGZPJMESA-N 1 2 372.490 2.836 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(OCc2ccccn2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361714 508064635 /nfs/dbraw/zinc/06/46/35/508064635.db2.gz QWKFWJLPLIRAJU-IBGZPJMESA-N 1 2 372.490 2.836 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)Cc1ccccc1F ZINC000092617863 508088305 /nfs/dbraw/zinc/08/83/05/508088305.db2.gz CJGSCUDPFXFUDA-FQEVSTJZSA-N 1 2 372.488 2.506 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)Cc1ccccc1F ZINC000092617863 508088309 /nfs/dbraw/zinc/08/83/09/508088309.db2.gz CJGSCUDPFXFUDA-FQEVSTJZSA-N 1 2 372.488 2.506 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3nccn3C)CC2)cc1Cl ZINC000093108157 508121873 /nfs/dbraw/zinc/12/18/73/508121873.db2.gz WLMRCGPDZQBPOC-UHFFFAOYSA-N 1 2 360.889 2.956 20 30 FFEDLO C=CC[N@H+](CCOc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000093794759 508155173 /nfs/dbraw/zinc/15/51/73/508155173.db2.gz HMFUYTYCXQLDTN-CYBMUJFWSA-N 1 2 374.300 2.503 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(F)ccc1Br ZINC000081158028 508142094 /nfs/dbraw/zinc/14/20/94/508142094.db2.gz VPFJEZJORNAXJS-UHFFFAOYSA-N 1 2 370.266 2.636 20 30 FFEDLO C=CCc1cc(C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc(OC)c1O ZINC000093392193 508143630 /nfs/dbraw/zinc/14/36/30/508143630.db2.gz QMXAHYSVSSFMRP-ZDUSSCGKSA-N 1 2 353.484 2.527 20 30 FFEDLO C=CCc1cc(C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc(OC)c1O ZINC000093392193 508143632 /nfs/dbraw/zinc/14/36/32/508143632.db2.gz QMXAHYSVSSFMRP-ZDUSSCGKSA-N 1 2 353.484 2.527 20 30 FFEDLO COc1cc(F)ccc1N1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000093440545 508144883 /nfs/dbraw/zinc/14/48/83/508144883.db2.gz CNEWKXSYTMHORO-UHFFFAOYSA-N 1 2 365.412 2.676 20 30 FFEDLO C=CC[N@@H+](CCOc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000093794759 508155171 /nfs/dbraw/zinc/15/51/71/508155171.db2.gz HMFUYTYCXQLDTN-CYBMUJFWSA-N 1 2 374.300 2.503 20 30 FFEDLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2nncn2C)cc1OCCCC#N ZINC000093810359 508155761 /nfs/dbraw/zinc/15/57/61/508155761.db2.gz QEBGNQKNKUJXQH-MRXNPFEDSA-N 1 2 355.442 2.843 20 30 FFEDLO COc1ccc(C[N@H+]2CCC[C@@H]2c2nncn2C)cc1OCCCC#N ZINC000093810359 508155764 /nfs/dbraw/zinc/15/57/64/508155764.db2.gz QEBGNQKNKUJXQH-MRXNPFEDSA-N 1 2 355.442 2.843 20 30 FFEDLO N#Cc1ccncc1N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000094151028 508170414 /nfs/dbraw/zinc/17/04/14/508170414.db2.gz VDRRHAQOXQVOJK-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO N#Cc1ccc(CS(=O)(=O)Cc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000076218674 508171145 /nfs/dbraw/zinc/17/11/45/508171145.db2.gz PAURUVZYVDNYCT-UHFFFAOYSA-N 1 2 351.431 2.918 20 30 FFEDLO CCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C[C@@H]1CCCCO1 ZINC000081513273 508183573 /nfs/dbraw/zinc/18/35/73/508183573.db2.gz TZOJOOGGHQUTOA-KRWDZBQOSA-N 1 2 350.484 2.613 20 30 FFEDLO CCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C[C@@H]1CCCCO1 ZINC000081513273 508183576 /nfs/dbraw/zinc/18/35/76/508183576.db2.gz TZOJOOGGHQUTOA-KRWDZBQOSA-N 1 2 350.484 2.613 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000101557012 508246184 /nfs/dbraw/zinc/24/61/84/508246184.db2.gz SCSDLWPTEHIITQ-AWEZNQCLSA-N 1 2 353.260 2.897 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000101557012 508246187 /nfs/dbraw/zinc/24/61/87/508246187.db2.gz SCSDLWPTEHIITQ-AWEZNQCLSA-N 1 2 353.260 2.897 20 30 FFEDLO C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554921 508246590 /nfs/dbraw/zinc/24/65/90/508246590.db2.gz JJDVQSBJEGGSOK-SFHVURJKSA-N 1 2 362.477 2.727 20 30 FFEDLO C[C@H](NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1cccc(C#N)c1 ZINC000076724014 508247435 /nfs/dbraw/zinc/24/74/35/508247435.db2.gz LXERRXYBLBSIGW-AWEZNQCLSA-N 1 2 359.389 2.560 20 30 FFEDLO CCCCc1noc(CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)n1 ZINC000114186074 508298041 /nfs/dbraw/zinc/29/80/41/508298041.db2.gz ZCBUAOJGDBHQBT-UHFFFAOYSA-N 1 2 358.446 2.635 20 30 FFEDLO CC1CCC(NC(=O)C[NH+]2CCN(Cc3ccc(C#N)cc3F)CC2)CC1 ZINC000077382233 508308348 /nfs/dbraw/zinc/30/83/48/508308348.db2.gz LTMIHSSZWRXXGR-UHFFFAOYSA-N 1 2 372.488 2.510 20 30 FFEDLO C=CC[N@H+](CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccc(OC)cc1 ZINC000077384346 508308889 /nfs/dbraw/zinc/30/88/89/508308889.db2.gz VSTJHAGIKKLZOL-UHFFFAOYSA-N 1 2 368.433 2.728 20 30 FFEDLO C=CC[N@@H+](CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccc(OC)cc1 ZINC000077384346 508308893 /nfs/dbraw/zinc/30/88/93/508308893.db2.gz VSTJHAGIKKLZOL-UHFFFAOYSA-N 1 2 368.433 2.728 20 30 FFEDLO N#Cc1ccc(NCC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000105020355 508357046 /nfs/dbraw/zinc/35/70/46/508357046.db2.gz RGBQWJJPWNLMAB-UHFFFAOYSA-N 1 2 368.868 2.968 20 30 FFEDLO Cc1[nH+]ccn1-c1ccc(NS(=O)(=O)c2ccc(C#N)cc2C)cn1 ZINC000077966231 508395339 /nfs/dbraw/zinc/39/53/39/508395339.db2.gz HBLQJVBJCZOOKN-UHFFFAOYSA-N 1 2 353.407 2.557 20 30 FFEDLO COc1cc(C)c(C[N@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115532416 508405943 /nfs/dbraw/zinc/40/59/43/508405943.db2.gz BGRUQGFDEBXHLV-IBGZPJMESA-N 1 2 353.422 2.542 20 30 FFEDLO COc1cc(C)c(C[N@@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115532416 508405947 /nfs/dbraw/zinc/40/59/47/508405947.db2.gz BGRUQGFDEBXHLV-IBGZPJMESA-N 1 2 353.422 2.542 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000115532059 508406222 /nfs/dbraw/zinc/40/62/22/508406222.db2.gz TYMPGHHMHUDNKH-IBGZPJMESA-N 1 2 368.868 2.556 20 30 FFEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115569706 508410487 /nfs/dbraw/zinc/41/04/87/508410487.db2.gz GSPMDRDUVYFKCO-LJQANCHMSA-N 1 2 362.433 2.624 20 30 FFEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115569706 508410490 /nfs/dbraw/zinc/41/04/90/508410490.db2.gz GSPMDRDUVYFKCO-LJQANCHMSA-N 1 2 362.433 2.624 20 30 FFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)C(N)=O)cc1 ZINC000115596559 508415228 /nfs/dbraw/zinc/41/52/28/508415228.db2.gz CAJFRKTUTPBSKE-LJQANCHMSA-N 1 2 362.433 2.613 20 30 FFEDLO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115597195 508416453 /nfs/dbraw/zinc/41/64/53/508416453.db2.gz UUOKDCCPJBHILA-LJQANCHMSA-N 1 2 350.422 2.613 20 30 FFEDLO N#Cc1ccc([C@H]([NH2+]Cc2cc(Br)ccc2F)C(N)=O)cc1 ZINC000115596763 508416523 /nfs/dbraw/zinc/41/65/23/508416523.db2.gz ZLLVHGYVBMJJKF-HNNXBMFYSA-N 1 2 362.202 2.776 20 30 FFEDLO N#Cc1cccc(OCC[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000121820182 508424800 /nfs/dbraw/zinc/42/48/00/508424800.db2.gz LVOAYRTWWLHXDO-AEFFLSMTSA-N 1 2 358.463 2.823 20 30 FFEDLO N#Cc1cccc(OCC[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000121820182 508424804 /nfs/dbraw/zinc/42/48/04/508424804.db2.gz LVOAYRTWWLHXDO-AEFFLSMTSA-N 1 2 358.463 2.823 20 30 FFEDLO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156933220 508498796 /nfs/dbraw/zinc/49/87/96/508498796.db2.gz MMIDRAKZDPIWCJ-MGPUTAFESA-N 1 2 370.474 2.656 20 30 FFEDLO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156933220 508498799 /nfs/dbraw/zinc/49/87/99/508498799.db2.gz MMIDRAKZDPIWCJ-MGPUTAFESA-N 1 2 370.474 2.656 20 30 FFEDLO COc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1OCCCC#N ZINC000377690680 512401106 /nfs/dbraw/zinc/40/11/06/512401106.db2.gz DNMVSSBMJSJDKW-QZTJIDSGSA-N 1 2 360.454 2.758 20 30 FFEDLO COc1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1OCCCC#N ZINC000377690680 512401110 /nfs/dbraw/zinc/40/11/10/512401110.db2.gz DNMVSSBMJSJDKW-QZTJIDSGSA-N 1 2 360.454 2.758 20 30 FFEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]O[C@H](C)c3nc(C(C)C)no3)cn2)n1 ZINC000157112889 508524359 /nfs/dbraw/zinc/52/43/59/508524359.db2.gz IFDIATILZZFXIC-CYBMUJFWSA-N 1 2 369.429 2.789 20 30 FFEDLO C=CC[C@@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000116973671 508574325 /nfs/dbraw/zinc/57/43/25/508574325.db2.gz FZQMMKTZKSGOLF-CXAGYDPISA-N 1 2 358.442 2.791 20 30 FFEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135284121 508593351 /nfs/dbraw/zinc/59/33/51/508593351.db2.gz LFTCDPBUJMAWCG-GOSISDBHSA-N 1 2 368.525 2.616 20 30 FFEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N[C@@H](C)CC#N)c1 ZINC000122853964 508597142 /nfs/dbraw/zinc/59/71/42/508597142.db2.gz QVGQZCKAEILGEV-AWEZNQCLSA-N 1 2 353.426 2.707 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc(Cl)c1OC ZINC000122928268 508608588 /nfs/dbraw/zinc/60/85/88/508608588.db2.gz PWQSDJQOHAGTKY-UHFFFAOYSA-N 1 2 372.856 2.946 20 30 FFEDLO CCOC(=O)N1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000158369498 508694164 /nfs/dbraw/zinc/69/41/64/508694164.db2.gz ZXMYLTCEDHTDOT-UHFFFAOYSA-N 1 2 367.453 2.738 20 30 FFEDLO Cc1cc(Br)cn2c(CN3CCN(C4CC4)[C@H](C#N)C3)c[nH+]c12 ZINC000369463081 512422931 /nfs/dbraw/zinc/42/29/31/512422931.db2.gz NMDNRCRUEILGBX-OAHLLOKOSA-N 1 2 374.286 2.577 20 30 FFEDLO C=CC[N@@H+](Cc1c(C)nn(C)c1N1CCOCC1)Cc1cccc(C#N)c1 ZINC000120011881 508909596 /nfs/dbraw/zinc/90/95/96/508909596.db2.gz LGKUWKOMCQEXPE-UHFFFAOYSA-N 1 2 365.481 2.625 20 30 FFEDLO C=CC[N@H+](Cc1c(C)nn(C)c1N1CCOCC1)Cc1cccc(C#N)c1 ZINC000120011881 508909600 /nfs/dbraw/zinc/90/96/00/508909600.db2.gz LGKUWKOMCQEXPE-UHFFFAOYSA-N 1 2 365.481 2.625 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000120062564 508920099 /nfs/dbraw/zinc/92/00/99/508920099.db2.gz FRUWUMVNXOILLJ-HOTGVXAUSA-N 1 2 352.438 2.540 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)CSCC[NH+]2CCOCC2)cc1C ZINC000160016956 508925766 /nfs/dbraw/zinc/92/57/66/508925766.db2.gz JZVHBKJNZWUYQJ-UHFFFAOYSA-N 1 2 361.511 2.616 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155373562 508987489 /nfs/dbraw/zinc/98/74/89/508987489.db2.gz GEDJVODEQHGWBL-LBPRGKRZSA-N 1 2 371.407 2.602 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155373562 508987493 /nfs/dbraw/zinc/98/74/93/508987493.db2.gz GEDJVODEQHGWBL-LBPRGKRZSA-N 1 2 371.407 2.602 20 30 FFEDLO Cc1ccc(C#N)c(NCc2ccccc2OCC[NH+]2CCOCC2)n1 ZINC000160889804 509044639 /nfs/dbraw/zinc/04/46/39/509044639.db2.gz PXMJMAQHEARGIT-UHFFFAOYSA-N 1 2 352.438 2.585 20 30 FFEDLO COc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1SC ZINC000155689002 509052737 /nfs/dbraw/zinc/05/27/37/509052737.db2.gz WEYNGWOUOFOYQB-AWEZNQCLSA-N 1 2 369.494 2.789 20 30 FFEDLO COc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1SC ZINC000155689002 509052742 /nfs/dbraw/zinc/05/27/42/509052742.db2.gz WEYNGWOUOFOYQB-AWEZNQCLSA-N 1 2 369.494 2.789 20 30 FFEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CSCC#N ZINC000155748705 509064120 /nfs/dbraw/zinc/06/41/20/509064120.db2.gz GWLUANMZMROPIO-QAPCUYQASA-N 1 2 360.527 2.706 20 30 FFEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CSCC#N ZINC000155748705 509064124 /nfs/dbraw/zinc/06/41/24/509064124.db2.gz GWLUANMZMROPIO-QAPCUYQASA-N 1 2 360.527 2.706 20 30 FFEDLO Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000120966807 509099339 /nfs/dbraw/zinc/09/93/39/509099339.db2.gz AFTLKFNSJLPUCY-SFHVURJKSA-N 1 2 363.461 2.978 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000151999575 509127211 /nfs/dbraw/zinc/12/72/11/509127211.db2.gz RMJGRMDSZFLSGS-OAHLLOKOSA-N 1 2 373.453 2.592 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000151999575 509127212 /nfs/dbraw/zinc/12/72/12/509127212.db2.gz RMJGRMDSZFLSGS-OAHLLOKOSA-N 1 2 373.453 2.592 20 30 FFEDLO Cn1c2ccc(NC(=O)C(=O)NCc3cccc(C#N)c3)cc2[nH+]c1C1CC1 ZINC000121338897 509168045 /nfs/dbraw/zinc/16/80/45/509168045.db2.gz UTFGQPHBXPEJDY-UHFFFAOYSA-N 1 2 373.416 2.577 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3ccco3)C2)c(OC)c1 ZINC000121457428 509174893 /nfs/dbraw/zinc/17/48/93/509174893.db2.gz YZKNGCXKPDECRO-UTKZUKDTSA-N 1 2 373.449 2.830 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3ccco3)C2)c(OC)c1 ZINC000121457428 509174894 /nfs/dbraw/zinc/17/48/94/509174894.db2.gz YZKNGCXKPDECRO-UTKZUKDTSA-N 1 2 373.449 2.830 20 30 FFEDLO N#CCCCOc1cccnc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000188729911 509234013 /nfs/dbraw/zinc/23/40/13/509234013.db2.gz MJFKBPVBVDIESZ-HNNXBMFYSA-N 1 2 366.425 2.560 20 30 FFEDLO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000216593650 509261477 /nfs/dbraw/zinc/26/14/77/509261477.db2.gz ZIMSNURUPWIRQM-LPHOPBHVSA-N 1 2 372.488 2.856 20 30 FFEDLO C[C@@H](C#N)CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000182655792 509354079 /nfs/dbraw/zinc/35/40/79/509354079.db2.gz KLIOLPYAOVTIGV-SWLSCSKDSA-N 1 2 352.841 2.902 20 30 FFEDLO C[C@@H](C#N)CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000182655792 509354085 /nfs/dbraw/zinc/35/40/85/509354085.db2.gz KLIOLPYAOVTIGV-SWLSCSKDSA-N 1 2 352.841 2.902 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000248552598 509359494 /nfs/dbraw/zinc/35/94/94/509359494.db2.gz AGKKLWSUCWHNOP-CEXWTWQISA-N 1 2 368.525 2.741 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)N1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000248552598 509359504 /nfs/dbraw/zinc/35/95/04/509359504.db2.gz AGKKLWSUCWHNOP-CEXWTWQISA-N 1 2 368.525 2.741 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1nc2ccccc2s1 ZINC000176365375 509467541 /nfs/dbraw/zinc/46/75/41/509467541.db2.gz YHDDKQINGUZZKI-ZDUSSCGKSA-N 1 2 350.451 2.669 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1nc2ccccc2s1 ZINC000176365375 509467552 /nfs/dbraw/zinc/46/75/52/509467552.db2.gz YHDDKQINGUZZKI-ZDUSSCGKSA-N 1 2 350.451 2.669 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1nc2ccccc2s1 ZINC000176365356 509467628 /nfs/dbraw/zinc/46/76/28/509467628.db2.gz YHDDKQINGUZZKI-CYBMUJFWSA-N 1 2 350.451 2.669 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1nc2ccccc2s1 ZINC000176365356 509467637 /nfs/dbraw/zinc/46/76/37/509467637.db2.gz YHDDKQINGUZZKI-CYBMUJFWSA-N 1 2 350.451 2.669 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000189230885 509473964 /nfs/dbraw/zinc/47/39/64/509473964.db2.gz MGPXSDRDGAMHPH-UHFFFAOYSA-N 1 2 364.287 2.878 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000189230885 509473969 /nfs/dbraw/zinc/47/39/69/509473969.db2.gz MGPXSDRDGAMHPH-UHFFFAOYSA-N 1 2 364.287 2.878 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179516429 509491850 /nfs/dbraw/zinc/49/18/50/509491850.db2.gz VEEJCKQTYCJBJH-IRXDYDNUSA-N 1 2 365.437 2.647 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179516429 509491855 /nfs/dbraw/zinc/49/18/55/509491855.db2.gz VEEJCKQTYCJBJH-IRXDYDNUSA-N 1 2 365.437 2.647 20 30 FFEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)c(C)o1 ZINC000264544808 509592251 /nfs/dbraw/zinc/59/22/51/509592251.db2.gz JEIHOESTIXGZRW-UHFFFAOYSA-N 1 2 353.422 2.757 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)ccc1C#N ZINC000179740120 509599771 /nfs/dbraw/zinc/59/97/71/509599771.db2.gz YXUINLPHMMCGOA-FUHWJXTLSA-N 1 2 356.376 2.715 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)ccc1C#N ZINC000179740120 509599776 /nfs/dbraw/zinc/59/97/76/509599776.db2.gz YXUINLPHMMCGOA-FUHWJXTLSA-N 1 2 356.376 2.715 20 30 FFEDLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000249102810 509605587 /nfs/dbraw/zinc/60/55/87/509605587.db2.gz PVYOZOXPVAGHJY-TYNCELHUSA-N 1 2 363.845 2.670 20 30 FFEDLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000249102810 509605589 /nfs/dbraw/zinc/60/55/89/509605589.db2.gz PVYOZOXPVAGHJY-TYNCELHUSA-N 1 2 363.845 2.670 20 30 FFEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000267781581 509611982 /nfs/dbraw/zinc/61/19/82/509611982.db2.gz HZCGKXJTTQBZMY-HXUWFJFHSA-N 1 2 373.460 2.898 20 30 FFEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000267781581 509611988 /nfs/dbraw/zinc/61/19/88/509611988.db2.gz HZCGKXJTTQBZMY-HXUWFJFHSA-N 1 2 373.460 2.898 20 30 FFEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000180027614 509714925 /nfs/dbraw/zinc/71/49/25/509714925.db2.gz HVIMHAMKHZPRDN-LSDHHAIUSA-N 1 2 351.410 2.773 20 30 FFEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000183408563 509770463 /nfs/dbraw/zinc/77/04/63/509770463.db2.gz QJMJDPHDUJNYPH-JKSUJKDBSA-N 1 2 369.868 2.680 20 30 FFEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000183408563 509770467 /nfs/dbraw/zinc/77/04/67/509770467.db2.gz QJMJDPHDUJNYPH-JKSUJKDBSA-N 1 2 369.868 2.680 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000193149922 509798320 /nfs/dbraw/zinc/79/83/20/509798320.db2.gz WMLRQXYMXBPMER-GOSISDBHSA-N 1 2 363.889 2.678 20 30 FFEDLO CCO[C@@H]1C[C@]([NH2+]CCCOc2cccc(C#N)c2)(C(=O)OC)C1(C)C ZINC000189875360 509804696 /nfs/dbraw/zinc/80/46/96/509804696.db2.gz CWEYFEYZNSAVJW-XLIONFOSSA-N 1 2 360.454 2.664 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1 ZINC000268216753 509818891 /nfs/dbraw/zinc/81/88/91/509818891.db2.gz LKVJBQDDRITVLA-KRWDZBQOSA-N 1 2 367.474 2.973 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1 ZINC000268216753 509818899 /nfs/dbraw/zinc/81/88/99/509818899.db2.gz LKVJBQDDRITVLA-KRWDZBQOSA-N 1 2 367.474 2.973 20 30 FFEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177015408 509819578 /nfs/dbraw/zinc/81/95/78/509819578.db2.gz PCASCFQORDETGZ-SFHVURJKSA-N 1 2 373.928 2.710 20 30 FFEDLO Cc1nc2sccn2c1C[N@@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000268258988 509840116 /nfs/dbraw/zinc/84/01/16/509840116.db2.gz QIBZQAYTGKBAFF-MRXNPFEDSA-N 1 2 365.462 2.813 20 30 FFEDLO Cc1nc2sccn2c1C[N@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000268258988 509840122 /nfs/dbraw/zinc/84/01/22/509840122.db2.gz QIBZQAYTGKBAFF-MRXNPFEDSA-N 1 2 365.462 2.813 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000183742556 509954624 /nfs/dbraw/zinc/95/46/24/509954624.db2.gz QIPLAQCXGBKPHU-KRWDZBQOSA-N 1 2 365.474 2.524 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000183742556 509954631 /nfs/dbraw/zinc/95/46/31/509954631.db2.gz QIPLAQCXGBKPHU-KRWDZBQOSA-N 1 2 365.474 2.524 20 30 FFEDLO C=CCC1(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCC1 ZINC000190182766 509991639 /nfs/dbraw/zinc/99/16/39/509991639.db2.gz DAXGQPPPDZIBTG-UHFFFAOYSA-N 1 2 358.482 2.760 20 30 FFEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000193811208 510081820 /nfs/dbraw/zinc/08/18/20/510081820.db2.gz LSVUGMLPLNUFLU-UHFFFAOYSA-N 1 2 370.331 2.507 20 30 FFEDLO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000184009843 510085846 /nfs/dbraw/zinc/08/58/46/510085846.db2.gz KKRPKAIGAGXPOK-GOSISDBHSA-N 1 2 354.498 2.930 20 30 FFEDLO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000184009843 510085849 /nfs/dbraw/zinc/08/58/49/510085849.db2.gz KKRPKAIGAGXPOK-GOSISDBHSA-N 1 2 354.498 2.930 20 30 FFEDLO CC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1cnn(C)c1 ZINC000171348815 510098008 /nfs/dbraw/zinc/09/80/08/510098008.db2.gz DSMGLGWQRDVKIF-UHFFFAOYSA-N 1 2 353.470 2.806 20 30 FFEDLO CC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1cnn(C)c1 ZINC000171348815 510098015 /nfs/dbraw/zinc/09/80/15/510098015.db2.gz DSMGLGWQRDVKIF-UHFFFAOYSA-N 1 2 353.470 2.806 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245781935 510142448 /nfs/dbraw/zinc/14/24/48/510142448.db2.gz VEEJCKQTYCJBJH-IAGOWNOFSA-N 1 2 365.437 2.647 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245781935 510142455 /nfs/dbraw/zinc/14/24/55/510142455.db2.gz VEEJCKQTYCJBJH-IAGOWNOFSA-N 1 2 365.437 2.647 20 30 FFEDLO Cc1ccc([C@@H](CNc2c(C#N)nnc3ccccc32)[NH+]2CCOCC2)o1 ZINC000265775987 510224215 /nfs/dbraw/zinc/22/42/15/510224215.db2.gz KGPXTLIOXNMOSX-GOSISDBHSA-N 1 2 363.421 2.888 20 30 FFEDLO C=CC[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000184273685 510232053 /nfs/dbraw/zinc/23/20/53/510232053.db2.gz HWTZIZRQQBTLFW-JTQLQIEISA-N 1 2 365.065 2.944 20 30 FFEDLO C=CCCOCCNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000190775784 510336526 /nfs/dbraw/zinc/33/65/26/510336526.db2.gz TYKISQGMCDSIRG-UHFFFAOYSA-N 1 2 351.878 2.590 20 30 FFEDLO C=CCCOCCNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000190775784 510336533 /nfs/dbraw/zinc/33/65/33/510336533.db2.gz TYKISQGMCDSIRG-UHFFFAOYSA-N 1 2 351.878 2.590 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000266054131 510383106 /nfs/dbraw/zinc/38/31/06/510383106.db2.gz VNEOZOTZNPGOQA-UHFFFAOYSA-N 1 2 365.499 2.620 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000266054131 510383112 /nfs/dbraw/zinc/38/31/12/510383112.db2.gz VNEOZOTZNPGOQA-UHFFFAOYSA-N 1 2 365.499 2.620 20 30 FFEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000178046441 510400079 /nfs/dbraw/zinc/40/00/79/510400079.db2.gz IIVZUWYHYAARSH-UHFFFAOYSA-N 1 2 356.495 2.619 20 30 FFEDLO N#CCCCCNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000171847870 510407167 /nfs/dbraw/zinc/40/71/67/510407167.db2.gz DTVYURFVZRPANS-AWEZNQCLSA-N 1 2 350.413 2.922 20 30 FFEDLO N#CCCCCNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000171847870 510407174 /nfs/dbraw/zinc/40/71/74/510407174.db2.gz DTVYURFVZRPANS-AWEZNQCLSA-N 1 2 350.413 2.922 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000184655166 510442119 /nfs/dbraw/zinc/44/21/19/510442119.db2.gz HJEFXQQEULRRRD-HOTGVXAUSA-N 1 2 350.532 2.635 20 30 FFEDLO C=CCSCCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000194625261 510450958 /nfs/dbraw/zinc/45/09/58/510450958.db2.gz TWWWFZKIVGPXLV-GOSISDBHSA-N 1 2 363.527 2.587 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246679451 510614410 /nfs/dbraw/zinc/61/44/10/510614410.db2.gz JVHLOPVVVJXREK-VMRPVKRXSA-N 1 2 370.424 2.899 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246679451 510614416 /nfs/dbraw/zinc/61/44/16/510614416.db2.gz JVHLOPVVVJXREK-VMRPVKRXSA-N 1 2 370.424 2.899 20 30 FFEDLO COC(=O)c1ccc(Cl)c(C[NH+]2CCN(c3ncccc3C#N)CC2)c1 ZINC000181868789 510634405 /nfs/dbraw/zinc/63/44/05/510634405.db2.gz HBWJXKQNTYPFLZ-UHFFFAOYSA-N 1 2 370.840 2.715 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000188226834 510657236 /nfs/dbraw/zinc/65/72/36/510657236.db2.gz PJEHIHYMRKFOMF-CTNGQTDRSA-N 1 2 360.498 2.713 20 30 FFEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000172394332 510706351 /nfs/dbraw/zinc/70/63/51/510706351.db2.gz XHNSFBBLIJCHPI-INIZCTEOSA-N 1 2 355.463 2.626 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178774303 510764622 /nfs/dbraw/zinc/76/46/22/510764622.db2.gz PWBQYLSRFJAPOG-QGZVFWFLSA-N 1 2 372.488 2.674 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000185244119 510767928 /nfs/dbraw/zinc/76/79/28/510767928.db2.gz ZSURAJNOVWBRJP-BVZFJXPGSA-N 1 2 365.539 2.778 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000185244119 510767931 /nfs/dbraw/zinc/76/79/31/510767931.db2.gz ZSURAJNOVWBRJP-BVZFJXPGSA-N 1 2 365.539 2.778 20 30 FFEDLO COc1cc(/C=C/C(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1OCC#N ZINC000263684282 510789432 /nfs/dbraw/zinc/78/94/32/510789432.db2.gz HDKFDHLQBHENLT-HWKANZROSA-N 1 2 366.421 2.671 20 30 FFEDLO N#Cc1ccc(OCCNC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000175849755 510823329 /nfs/dbraw/zinc/82/33/29/510823329.db2.gz XLGCQAUYKQUWPI-UHFFFAOYSA-N 1 2 361.405 2.622 20 30 FFEDLO C=C(C)CN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000182264925 510838141 /nfs/dbraw/zinc/83/81/41/510838141.db2.gz VVQAMTJAZXWWGY-KRWDZBQOSA-N 1 2 358.442 2.744 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@H]1CCCSC1 ZINC000329924506 510879242 /nfs/dbraw/zinc/87/92/42/510879242.db2.gz HRYUBLMBPIFBMN-KKUMJFAQSA-N 1 2 370.494 2.603 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@H]1CCCSC1 ZINC000329924506 510879246 /nfs/dbraw/zinc/87/92/46/510879246.db2.gz HRYUBLMBPIFBMN-KKUMJFAQSA-N 1 2 370.494 2.603 20 30 FFEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(OC4CCCC4)c(F)c3)C[C@H]21 ZINC000329949699 510884119 /nfs/dbraw/zinc/88/41/19/510884119.db2.gz HMIBCVROUMERIN-AEFFLSMTSA-N 1 2 363.433 2.707 20 30 FFEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(OC4CCCC4)c(F)c3)C[C@H]21 ZINC000329949699 510884120 /nfs/dbraw/zinc/88/41/20/510884120.db2.gz HMIBCVROUMERIN-AEFFLSMTSA-N 1 2 363.433 2.707 20 30 FFEDLO CCN1CCN(C(=O)NC[C@@H]2CCOc3ccccc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329951458 510885308 /nfs/dbraw/zinc/88/53/08/510885308.db2.gz IGQBVAFEPIGIHS-DOTOQJQBSA-N 1 2 369.469 2.569 20 30 FFEDLO O=C(CCNC(=O)[C@@H]1CC12CCCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000329955806 510886238 /nfs/dbraw/zinc/88/62/38/510886238.db2.gz KYBGRXXCOVXFOV-INIZCTEOSA-N 1 2 356.470 2.657 20 30 FFEDLO CCN1CCN(C(=O)N[C@@H]2CCOc3c(C)cccc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329968286 510890198 /nfs/dbraw/zinc/89/01/98/510890198.db2.gz SZBGJRZQMGZFLX-IAGOWNOFSA-N 1 2 369.469 2.835 20 30 FFEDLO C=CCn1c(C2CCC2)nnc1N1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000282218780 510891369 /nfs/dbraw/zinc/89/13/69/510891369.db2.gz IMZLLRSEVXSDSM-UHFFFAOYSA-N 1 2 356.474 2.659 20 30 FFEDLO C[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CC1 ZINC000329978196 510892421 /nfs/dbraw/zinc/89/24/21/510892421.db2.gz HCPQZNRUTURHDV-TWMKSMIVSA-N 1 2 365.497 2.805 20 30 FFEDLO NC(=[NH+]OCCO[C@H]1CCCCO1)c1ccc(OCc2cccnc2)cc1 ZINC000282238146 510897548 /nfs/dbraw/zinc/89/75/48/510897548.db2.gz FLPOFDNKLYUWQA-IBGZPJMESA-N 1 2 371.437 2.841 20 30 FFEDLO CC(=O)N[C@@H](C)C1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000330070452 510910178 /nfs/dbraw/zinc/91/01/78/510910178.db2.gz XBNMZZXFTLGNCC-INIZCTEOSA-N 1 2 373.497 2.736 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000330071556 510911276 /nfs/dbraw/zinc/91/12/76/510911276.db2.gz IZYFLMBCCUYTLG-ZRGWGRIASA-N 1 2 367.490 2.706 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000330071556 510911282 /nfs/dbraw/zinc/91/12/82/510911282.db2.gz IZYFLMBCCUYTLG-ZRGWGRIASA-N 1 2 367.490 2.706 20 30 FFEDLO Cc1noc([C@H]2CCCC[N@@H+]2[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000285463045 510916647 /nfs/dbraw/zinc/91/66/47/510916647.db2.gz AIHPLXBRNQVPKU-QZTJIDSGSA-N 1 2 365.437 2.972 20 30 FFEDLO Cc1noc([C@H]2CCCC[N@H+]2[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000285463045 510916654 /nfs/dbraw/zinc/91/66/54/510916654.db2.gz AIHPLXBRNQVPKU-QZTJIDSGSA-N 1 2 365.437 2.972 20 30 FFEDLO CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])N1CC[C@@H](Oc3cc[nH+]cc3)C1)CC2 ZINC000330108979 510917810 /nfs/dbraw/zinc/91/78/10/510917810.db2.gz OMUMLSLSSUDKEX-SJLPKXTDSA-N 1 2 369.469 2.784 20 30 FFEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCO[C@@H](C3CC3)C2)C[C@@H](C)O1 ZINC000330155935 510927462 /nfs/dbraw/zinc/92/74/62/510927462.db2.gz YMZVOBAXKXKZDP-JXXFODFXSA-N 1 2 373.497 2.952 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000330166027 510928399 /nfs/dbraw/zinc/92/83/99/510928399.db2.gz UXGDHXVOJJHHIF-SNVBAGLBSA-N 1 2 369.450 2.639 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000330166027 510928402 /nfs/dbraw/zinc/92/84/02/510928402.db2.gz UXGDHXVOJJHHIF-SNVBAGLBSA-N 1 2 369.450 2.639 20 30 FFEDLO Cc1ncc(C[NH+]2CCN(C(=O)N[C@H]3CCOC4(CCC4)C3)CC2)s1 ZINC000330235953 510943893 /nfs/dbraw/zinc/94/38/93/510943893.db2.gz UDCTYWMQKILVGY-HNNXBMFYSA-N 1 2 364.515 2.585 20 30 FFEDLO Cc1ccc([NH+]=C([O-])N2CCC[C@H]2Cn2cc[nH+]c2)cc1N1CCNC1=O ZINC000330271454 510953671 /nfs/dbraw/zinc/95/36/71/510953671.db2.gz VYQVPLZQMJTJHV-INIZCTEOSA-N 1 2 368.441 2.636 20 30 FFEDLO C[C@@H]1CN(Cc2csc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)n2)C[C@H](C)O1 ZINC000330273233 510953719 /nfs/dbraw/zinc/95/37/19/510953719.db2.gz YWTXGRKPTZSVKS-DVOMOZLQSA-N 1 2 364.515 2.967 20 30 FFEDLO C[C@@H]1CN(Cc2csc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)n2)C[C@H](C)O1 ZINC000330273233 510953722 /nfs/dbraw/zinc/95/37/22/510953722.db2.gz YWTXGRKPTZSVKS-DVOMOZLQSA-N 1 2 364.515 2.967 20 30 FFEDLO CCN1CCN(C(=O)Nc2ccccc2N2CCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330307176 510961127 /nfs/dbraw/zinc/96/11/27/510961127.db2.gz RYJLJDJMLSXVQG-GOSISDBHSA-N 1 2 368.485 2.934 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@H](C2CCCC2)C(F)(F)F)CCN1C ZINC000330321552 510963684 /nfs/dbraw/zinc/96/36/84/510963684.db2.gz GBDKUMAMOFHLGS-UONOGXRCSA-N 1 2 373.423 2.744 20 30 FFEDLO Cc1cc2cccnc2c(NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000330325056 510964238 /nfs/dbraw/zinc/96/42/38/510964238.db2.gz IZAKJWNBZAMVRO-QGZVFWFLSA-N 1 2 364.453 2.811 20 30 FFEDLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(C(=O)CC(C)(C)C#N)CC1 ZINC000278163990 510983983 /nfs/dbraw/zinc/98/39/83/510983983.db2.gz ATWSXOXFHHAPAU-UHFFFAOYSA-N 1 2 353.470 2.535 20 30 FFEDLO NC(=[NH+]OCc1nnc2n1CCCCC2)c1cccc(C(F)(F)F)c1 ZINC000278784822 511007949 /nfs/dbraw/zinc/00/79/49/511007949.db2.gz ZODLGEBSRBNNGF-UHFFFAOYSA-N 1 2 353.348 2.860 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000279026699 511017519 /nfs/dbraw/zinc/01/75/19/511017519.db2.gz JANAPIWXHMSDEB-SOLBZPMBSA-N 1 2 364.511 2.561 20 30 FFEDLO CCN(C)C(=O)[C@H](C)NC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000331024817 511037695 /nfs/dbraw/zinc/03/76/95/511037695.db2.gz ACVFKPXCGFQSDI-CABCVRRESA-N 1 2 361.490 2.962 20 30 FFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000287238080 511045139 /nfs/dbraw/zinc/04/51/39/511045139.db2.gz WUDZABDJSUTXLL-QRQLOZEOSA-N 1 2 356.470 2.536 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(OC)c(OCC)c(OC)c2)n1 ZINC000279361125 511057630 /nfs/dbraw/zinc/05/76/30/511057630.db2.gz HMISIDUBNIPJSK-UHFFFAOYSA-N 1 2 357.454 2.954 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(OC)c(OCC)c(OC)c2)n1 ZINC000279361125 511057633 /nfs/dbraw/zinc/05/76/33/511057633.db2.gz HMISIDUBNIPJSK-UHFFFAOYSA-N 1 2 357.454 2.954 20 30 FFEDLO N#Cc1ccc(N2CCN(Cc3c[nH+]c4ccc(Cl)cn34)CC2)nc1 ZINC000271051779 511070002 /nfs/dbraw/zinc/07/00/02/511070002.db2.gz PSOCUFLAJQUQCE-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO N#Cc1ccnc(N2CCN(Cc3c[nH+]c4ccc(Cl)cn34)CC2)c1 ZINC000271056280 511070763 /nfs/dbraw/zinc/07/07/63/511070763.db2.gz ZWZARRLABQSQEA-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)C(C)(C)C ZINC000288436536 511075275 /nfs/dbraw/zinc/07/52/75/511075275.db2.gz PEEGXFCHDNHRAF-QGZVFWFLSA-N 1 2 351.406 2.977 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)NCC1CCC(C#N)CC1)CC2 ZINC000332062068 511075791 /nfs/dbraw/zinc/07/57/91/511075791.db2.gz YNYOCMRUZUWTIC-UHFFFAOYSA-N 1 2 371.481 2.508 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)NCC1CCC(C#N)CC1)CC2 ZINC000332062068 511075795 /nfs/dbraw/zinc/07/57/95/511075795.db2.gz YNYOCMRUZUWTIC-UHFFFAOYSA-N 1 2 371.481 2.508 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)cc1OCCCC#N ZINC000271217544 511124704 /nfs/dbraw/zinc/12/47/04/511124704.db2.gz XQHCPVBKOHCJIB-OWWKKJFISA-N 1 2 350.484 2.719 20 30 FFEDLO COc1ccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)cc1OCCCC#N ZINC000271217544 511124708 /nfs/dbraw/zinc/12/47/08/511124708.db2.gz XQHCPVBKOHCJIB-OWWKKJFISA-N 1 2 350.484 2.719 20 30 FFEDLO C=CCCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000279574680 511132044 /nfs/dbraw/zinc/13/20/44/511132044.db2.gz OTUJUPFORQLSOI-QGZVFWFLSA-N 1 2 358.442 2.792 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000332980216 511168761 /nfs/dbraw/zinc/16/87/61/511168761.db2.gz LTHMDHCJQCSAMM-HOTGVXAUSA-N 1 2 374.460 2.795 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000332980216 511168767 /nfs/dbraw/zinc/16/87/67/511168767.db2.gz LTHMDHCJQCSAMM-HOTGVXAUSA-N 1 2 374.460 2.795 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279687576 511178319 /nfs/dbraw/zinc/17/83/19/511178319.db2.gz FVJCNEOAWYIYQG-QZTJIDSGSA-N 1 2 371.481 2.592 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279687576 511178325 /nfs/dbraw/zinc/17/83/25/511178325.db2.gz FVJCNEOAWYIYQG-QZTJIDSGSA-N 1 2 371.481 2.592 20 30 FFEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3nnc(C)s3)c2)n1 ZINC000271532757 511236095 /nfs/dbraw/zinc/23/60/95/511236095.db2.gz PTEZTDBXMFOGHG-UHFFFAOYSA-N 1 2 356.455 2.545 20 30 FFEDLO CO[C@@H]1[C@@H](C)[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1(C)C ZINC000271798876 511328267 /nfs/dbraw/zinc/32/82/67/511328267.db2.gz KQZTXYYUISJXFU-UYHISHBKSA-N 1 2 368.481 2.706 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1CC[C@@H](CC#N)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000295596667 511455810 /nfs/dbraw/zinc/45/58/10/511455810.db2.gz SAKFAUKAAUZWTL-BQFCYCMXSA-N 1 2 358.461 2.535 20 30 FFEDLO CN(C(=O)[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1)c1ccccc1 ZINC000280497936 511489405 /nfs/dbraw/zinc/48/94/05/511489405.db2.gz BCUJKQYQRFBMLU-OAHLLOKOSA-N 1 2 368.462 2.543 20 30 FFEDLO CN(C(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1)c1ccccc1 ZINC000280497936 511489411 /nfs/dbraw/zinc/48/94/11/511489411.db2.gz BCUJKQYQRFBMLU-OAHLLOKOSA-N 1 2 368.462 2.543 20 30 FFEDLO N#Cc1ccccc1-c1ccc(CN2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cc1 ZINC000348611196 511491468 /nfs/dbraw/zinc/49/14/68/511491468.db2.gz KAHHRLWQQPNNED-IBGZPJMESA-N 1 2 371.400 2.611 20 30 FFEDLO N#Cc1ccccc1-c1ccc(CN2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)cc1 ZINC000348611196 511491470 /nfs/dbraw/zinc/49/14/70/511491470.db2.gz KAHHRLWQQPNNED-IBGZPJMESA-N 1 2 371.400 2.611 20 30 FFEDLO N#Cc1ccc(Oc2cccc(N3C(=O)N[C@@H](Cc4c[nH+]c[nH]4)C3=O)c2)cc1 ZINC000348671357 511502572 /nfs/dbraw/zinc/50/25/72/511502572.db2.gz WFKANOHRAWBDLK-SFHVURJKSA-N 1 2 373.372 2.741 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC(C)(C#N)CC1)c1cccc(F)c1 ZINC000272672830 511503661 /nfs/dbraw/zinc/50/36/61/511503661.db2.gz QAOSXTLQDUORCG-INIZCTEOSA-N 1 2 355.417 2.984 20 30 FFEDLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000292240113 511517667 /nfs/dbraw/zinc/51/76/67/511517667.db2.gz WSAJYRBWSHOJDW-IUODEOHRSA-N 1 2 355.360 2.620 20 30 FFEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]CC(=O)N(CC)CCC#N)n2)cc1 ZINC000273262710 511520955 /nfs/dbraw/zinc/52/09/55/511520955.db2.gz CIUXANGPVLSLGV-CQSZACIVSA-N 1 2 355.442 2.712 20 30 FFEDLO C[C@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@]2(CCOC2)O1 ZINC000280611986 511531551 /nfs/dbraw/zinc/53/15/51/511531551.db2.gz VZDZDPGNHLYXIC-KKSFZXQISA-N 1 2 367.449 2.617 20 30 FFEDLO C[C@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@]2(CCOC2)O1 ZINC000280611986 511531559 /nfs/dbraw/zinc/53/15/59/511531559.db2.gz VZDZDPGNHLYXIC-KKSFZXQISA-N 1 2 367.449 2.617 20 30 FFEDLO N#Cc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cc1 ZINC000280617029 511534363 /nfs/dbraw/zinc/53/43/63/511534363.db2.gz KPZHCLDSXFBAAV-UXHICEINSA-N 1 2 362.433 2.675 20 30 FFEDLO N#Cc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cc1 ZINC000280617029 511534367 /nfs/dbraw/zinc/53/43/67/511534367.db2.gz KPZHCLDSXFBAAV-UXHICEINSA-N 1 2 362.433 2.675 20 30 FFEDLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)C[C@H](C)C#N ZINC000299172496 511539062 /nfs/dbraw/zinc/53/90/62/511539062.db2.gz TVLPSWNHLMVPII-CHWSQXEVSA-N 1 2 352.276 2.887 20 30 FFEDLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)C[C@H](C)C#N ZINC000299172496 511539068 /nfs/dbraw/zinc/53/90/68/511539068.db2.gz TVLPSWNHLMVPII-CHWSQXEVSA-N 1 2 352.276 2.887 20 30 FFEDLO C#CCN(C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1)C1CC1 ZINC000274116879 511723470 /nfs/dbraw/zinc/72/34/70/511723470.db2.gz MGPKKAJCEMGWHR-UHFFFAOYSA-N 1 2 360.461 2.952 20 30 FFEDLO C#C[C@H](NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1)C(C)C ZINC000281212320 511761596 /nfs/dbraw/zinc/76/15/96/511761596.db2.gz BJEIXTCVWCKHQV-KRWDZBQOSA-N 1 2 351.450 2.931 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2csc(-c3ccc4c(c3)OCO4)n2)C1=O ZINC000281237316 511770369 /nfs/dbraw/zinc/77/03/69/511770369.db2.gz LMROBYYHPYYWSP-HNNXBMFYSA-N 1 2 371.462 2.758 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2csc(-c3ccc4c(c3)OCO4)n2)C1=O ZINC000281237316 511770372 /nfs/dbraw/zinc/77/03/72/511770372.db2.gz LMROBYYHPYYWSP-HNNXBMFYSA-N 1 2 371.462 2.758 20 30 FFEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000284657265 511812140 /nfs/dbraw/zinc/81/21/40/511812140.db2.gz KKEJAERSDVPBFH-INIZCTEOSA-N 1 2 374.872 2.704 20 30 FFEDLO CC1(C)CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000328601412 511891121 /nfs/dbraw/zinc/89/11/21/511891121.db2.gz FLFURANTYIIKQF-ASKKUZCQSA-N 1 2 358.486 2.782 20 30 FFEDLO CC1(C)CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000328601412 511891124 /nfs/dbraw/zinc/89/11/24/511891124.db2.gz FLFURANTYIIKQF-ASKKUZCQSA-N 1 2 358.486 2.782 20 30 FFEDLO C[N@@H+]1CCO[C@@H](CNC(=O)COc2ccc3oc4c(c3c2)CCCC4)C1 ZINC000328676658 511913665 /nfs/dbraw/zinc/91/36/65/511913665.db2.gz AETXKYUGFAVUIM-HNNXBMFYSA-N 1 2 358.438 2.978 20 30 FFEDLO C[N@H+]1CCO[C@@H](CNC(=O)COc2ccc3oc4c(c3c2)CCCC4)C1 ZINC000328676658 511913671 /nfs/dbraw/zinc/91/36/71/511913671.db2.gz AETXKYUGFAVUIM-HNNXBMFYSA-N 1 2 358.438 2.978 20 30 FFEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000328695076 511916787 /nfs/dbraw/zinc/91/67/87/511916787.db2.gz SUGBSBDVJCPVNB-RCCFBDPRSA-N 1 2 352.438 2.834 20 30 FFEDLO Cc1ccc([C@@H](CNC(=O)c2cn3c(n2)CCCC3)[NH+]2CCOCC2)s1 ZINC000328699321 511917613 /nfs/dbraw/zinc/91/76/13/511917613.db2.gz ICUBOFCEHFNDJI-MRXNPFEDSA-N 1 2 374.510 2.967 20 30 FFEDLO Cc1cccc(C2(C(=O)NCC[NH+]3CCN(C(=O)C4CCC4)CC3)CC2)c1 ZINC000328905575 511949031 /nfs/dbraw/zinc/94/90/31/511949031.db2.gz AWRZWBFICYNMEK-UHFFFAOYSA-N 1 2 369.509 2.927 20 30 FFEDLO COC1(CC(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)CCC1 ZINC000328920010 511950275 /nfs/dbraw/zinc/95/02/75/511950275.db2.gz AVYMFWNWOCHYKJ-RDTXWAMCSA-N 1 2 360.458 2.530 20 30 FFEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)C1C2CC3CC(C2)CC1C3 ZINC000328936867 511953595 /nfs/dbraw/zinc/95/35/95/511953595.db2.gz QZETUIRUBWEQGY-UHFFFAOYSA-N 1 2 373.541 2.960 20 30 FFEDLO O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1)Nc1nc2c(s1)CCC2 ZINC000328986700 511962428 /nfs/dbraw/zinc/96/24/28/511962428.db2.gz RFNJSXSLJBSUEW-SWLSCSKDSA-N 1 2 374.510 2.695 20 30 FFEDLO O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1)Nc1nc2c(s1)CCC2 ZINC000328986700 511962432 /nfs/dbraw/zinc/96/24/32/511962432.db2.gz RFNJSXSLJBSUEW-SWLSCSKDSA-N 1 2 374.510 2.695 20 30 FFEDLO C[C@H](C(=O)NCCC1CCS(=O)(=O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000328998490 511965061 /nfs/dbraw/zinc/96/50/61/511965061.db2.gz KNSGYQMWHVICQP-OAHLLOKOSA-N 1 2 364.511 2.605 20 30 FFEDLO C[C@H](C(=O)NCCC1CCS(=O)(=O)CC1)[N@H+]1CCc2ccccc2C1 ZINC000328998490 511965063 /nfs/dbraw/zinc/96/50/63/511965063.db2.gz KNSGYQMWHVICQP-OAHLLOKOSA-N 1 2 364.511 2.605 20 30 FFEDLO O=C(C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1)Nc1ccc2c(c1)OCO2 ZINC000329030420 511971130 /nfs/dbraw/zinc/97/11/30/511971130.db2.gz LDKHDMKSZULIKX-LBPRGKRZSA-N 1 2 356.382 2.753 20 30 FFEDLO O=C(C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1)Nc1ccc2c(c1)OCO2 ZINC000329030420 511971131 /nfs/dbraw/zinc/97/11/31/511971131.db2.gz LDKHDMKSZULIKX-LBPRGKRZSA-N 1 2 356.382 2.753 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)Cc2cccs2)CCC(=O)N1C1CC1 ZINC000329042329 511972300 /nfs/dbraw/zinc/97/23/00/511972300.db2.gz TWMWUYKYVDYVTB-RDTXWAMCSA-N 1 2 358.467 2.875 20 30 FFEDLO O=C(C[N@@H+]1CCO[C@]2(CCCOC2)C1)NCCc1cccc2cccnc21 ZINC000329088725 511981180 /nfs/dbraw/zinc/98/11/80/511981180.db2.gz VUQXHFNZJKXJEL-OAQYLSRUSA-N 1 2 369.465 2.615 20 30 FFEDLO O=C(C[N@H+]1CCO[C@]2(CCCOC2)C1)NCCc1cccc2cccnc21 ZINC000329088725 511981185 /nfs/dbraw/zinc/98/11/85/511981185.db2.gz VUQXHFNZJKXJEL-OAQYLSRUSA-N 1 2 369.465 2.615 20 30 FFEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC(Cc2cccnc2)CC1 ZINC000329117778 511985932 /nfs/dbraw/zinc/98/59/32/511985932.db2.gz OAQXXESZRXYKEC-LJQANCHMSA-N 1 2 365.481 2.924 20 30 FFEDLO CCn1ccnc1[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCOCC1 ZINC000329132381 511989375 /nfs/dbraw/zinc/98/93/75/511989375.db2.gz PEFBXDRDCPGVJY-NVXWUHKLSA-N 1 2 357.458 2.786 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C/c1cccc(C#N)c1)C1CCOCC1 ZINC000285115806 512004881 /nfs/dbraw/zinc/00/48/81/512004881.db2.gz ROUYZIVDCYCFJH-UEKDZROGSA-N 1 2 350.422 2.589 20 30 FFEDLO CC(C)[C@@H]1CN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)CCO1 ZINC000329247086 512012176 /nfs/dbraw/zinc/01/21/76/512012176.db2.gz ROCVHAORCSWYBG-HNNXBMFYSA-N 1 2 352.504 2.684 20 30 FFEDLO CC[C@@](C)(C#N)C(=O)N1CCN(Cc2c(C)[nH+]c3cc(C)ccn32)CC1 ZINC000285138307 512014057 /nfs/dbraw/zinc/01/40/57/512014057.db2.gz WTGLVWMUSODKAC-FQEVSTJZSA-N 1 2 353.470 2.535 20 30 FFEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000285138307 512014061 /nfs/dbraw/zinc/01/40/61/512014061.db2.gz WTGLVWMUSODKAC-FQEVSTJZSA-N 1 2 353.470 2.535 20 30 FFEDLO CC[C@](C)(C#N)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000285162565 512022680 /nfs/dbraw/zinc/02/26/80/512022680.db2.gz PPLHZYATFXGHRE-GOSISDBHSA-N 1 2 359.861 2.572 20 30 FFEDLO C=CC[C@]1(C(=O)NCc2[nH+]ccn2CC)CCCN1C(=O)OC(C)(C)C ZINC000297148649 512038343 /nfs/dbraw/zinc/03/83/43/512038343.db2.gz IUNIDBGTIUKHPH-LJQANCHMSA-N 1 2 362.474 2.865 20 30 FFEDLO O=C(NC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1)C1CCCCC1 ZINC000329427575 512044288 /nfs/dbraw/zinc/04/42/88/512044288.db2.gz HJFSLCOZPMUBFJ-INIZCTEOSA-N 1 2 358.486 2.973 20 30 FFEDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@H]1CCCCS1 ZINC000329494916 512056724 /nfs/dbraw/zinc/05/67/24/512056724.db2.gz DITSSCRIUBXYQB-QZTJIDSGSA-N 1 2 363.527 2.677 20 30 FFEDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@H]1CCCCS1 ZINC000329494916 512056729 /nfs/dbraw/zinc/05/67/29/512056729.db2.gz DITSSCRIUBXYQB-QZTJIDSGSA-N 1 2 363.527 2.677 20 30 FFEDLO Cc1ncc(C[NH+]2CCN(C(=O)Nc3cccc4c3OCO4)CC2)s1 ZINC000329488984 512056835 /nfs/dbraw/zinc/05/68/35/512056835.db2.gz YFVQCRWDUPVZQZ-UHFFFAOYSA-N 1 2 360.439 2.544 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CCOCC3(CCC3)C1)C2 ZINC000329499688 512057973 /nfs/dbraw/zinc/05/79/73/512057973.db2.gz HDMZRPLAWVMWNM-OAHLLOKOSA-N 1 2 360.502 2.912 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@@H]1CCO[C@H](C3CC3)C1)C2 ZINC000329617805 512076953 /nfs/dbraw/zinc/07/69/53/512076953.db2.gz LTHMALBHZJUETK-PMPSAXMXSA-N 1 2 360.502 2.957 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@@H]1CCO[C@H](C3CC3)C1)C2 ZINC000329617805 512076957 /nfs/dbraw/zinc/07/69/57/512076957.db2.gz LTHMALBHZJUETK-PMPSAXMXSA-N 1 2 360.502 2.957 20 30 FFEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2CCSc3ccccc32)CC1 ZINC000329636042 512080634 /nfs/dbraw/zinc/08/06/34/512080634.db2.gz YALHNUFEDOVPDD-RHSMWYFYSA-N 1 2 373.522 2.918 20 30 FFEDLO C[C@@H]1CN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000329671054 512084392 /nfs/dbraw/zinc/08/43/92/512084392.db2.gz TYYIIZBDJYPNER-INIZCTEOSA-N 1 2 359.518 2.615 20 30 FFEDLO C[C@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)c2ccsc2S1(=O)=O ZINC000329684369 512086533 /nfs/dbraw/zinc/08/65/33/512086533.db2.gz YBEFIMWGVJTFNZ-GVXVVHGQSA-N 1 2 365.480 2.771 20 30 FFEDLO C[C@H](C(=O)NCC1CCC(C#N)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000282154179 512089825 /nfs/dbraw/zinc/08/98/25/512089825.db2.gz CWTUAVHQZSKIRL-WWDZGPRUSA-N 1 2 372.488 2.782 20 30 FFEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCN(c2ccccc2Cl)CC1 ZINC000329721745 512089888 /nfs/dbraw/zinc/08/98/88/512089888.db2.gz NECFMKSCFWVUKY-ZDUSSCGKSA-N 1 2 359.861 2.657 20 30 FFEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCN(c2ccccc2Cl)CC1 ZINC000329721745 512089891 /nfs/dbraw/zinc/08/98/91/512089891.db2.gz NECFMKSCFWVUKY-ZDUSSCGKSA-N 1 2 359.861 2.657 20 30 FFEDLO C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C[C@H](C2CC2)O1 ZINC000329892531 512105795 /nfs/dbraw/zinc/10/57/95/512105795.db2.gz ABVREAVOMYJHOL-FVQBIDKESA-N 1 2 360.502 2.909 20 30 FFEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)NCCc1cccc3cccnc31)CCO2 ZINC000329893738 512105816 /nfs/dbraw/zinc/10/58/16/512105816.db2.gz AVEOVLNAIUXGDM-HRAATJIYSA-N 1 2 369.465 2.614 20 30 FFEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)NCCc1cccc3cccnc31)CCO2 ZINC000329893738 512105817 /nfs/dbraw/zinc/10/58/17/512105817.db2.gz AVEOVLNAIUXGDM-HRAATJIYSA-N 1 2 369.465 2.614 20 30 FFEDLO Cc1noc(C2(C)CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)n1 ZINC000371653140 512510172 /nfs/dbraw/zinc/51/01/72/512510172.db2.gz BDVBIKJUAZFXBL-CYBMUJFWSA-N 1 2 353.426 2.630 20 30 FFEDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1ccc(C#N)c(Br)c1)CC2 ZINC000367551611 512554164 /nfs/dbraw/zinc/55/41/64/512554164.db2.gz LHQNGXBPTDNENU-UHFFFAOYSA-N 1 2 360.215 2.873 20 30 FFEDLO Cc1cc(-c2noc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)n2)ccc1F ZINC000371835189 512596151 /nfs/dbraw/zinc/59/61/51/512596151.db2.gz RAJOEESJPZYNOA-ORAYPTAESA-N 1 2 373.432 2.889 20 30 FFEDLO CCN1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000376009622 512613903 /nfs/dbraw/zinc/61/39/03/512613903.db2.gz PRSICCOTAIZHHH-KRWDZBQOSA-N 1 2 369.444 2.603 20 30 FFEDLO COC(=O)[C@H]([NH2+]C1CCC(c2nc(C)no2)CC1)c1cccc(C#N)c1 ZINC000371919731 512634490 /nfs/dbraw/zinc/63/44/90/512634490.db2.gz UCONUZIDBLRYEQ-BDVYOWHSSA-N 1 2 354.410 2.780 20 30 FFEDLO N#CCCn1ccc(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)n1 ZINC000378278245 512672715 /nfs/dbraw/zinc/67/27/15/512672715.db2.gz VMKDMBSPEVFSEO-UHFFFAOYSA-N 1 2 373.420 2.778 20 30 FFEDLO CC[C@H](C)[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)C(=O)OC ZINC000411525164 512674302 /nfs/dbraw/zinc/67/43/02/512674302.db2.gz BZIAMKOLUSZYQM-MEDUHNTESA-N 1 2 363.483 2.614 20 30 FFEDLO C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1nc(C(C)(C)C)no1 ZINC000411528532 512676414 /nfs/dbraw/zinc/67/64/14/512676414.db2.gz FVPSRZJQSQZUNY-SWLSCSKDSA-N 1 2 353.426 2.695 20 30 FFEDLO N#CCC[N@@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)CC1CC1 ZINC000370028704 512734198 /nfs/dbraw/zinc/73/41/98/512734198.db2.gz QWOHKUMJGHTHOC-UHFFFAOYSA-N 1 2 355.482 2.820 20 30 FFEDLO N#CCC[N@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)CC1CC1 ZINC000370028704 512734201 /nfs/dbraw/zinc/73/42/01/512734201.db2.gz QWOHKUMJGHTHOC-UHFFFAOYSA-N 1 2 355.482 2.820 20 30 FFEDLO CC(C)(CC#N)CNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000411653480 512739595 /nfs/dbraw/zinc/73/95/95/512739595.db2.gz VXJMNFPKDVWHQO-UHFFFAOYSA-N 1 2 352.394 2.868 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000370114755 512774520 /nfs/dbraw/zinc/77/45/20/512774520.db2.gz VIGGRLJUFACFOQ-CYBMUJFWSA-N 1 2 350.469 2.752 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CCc1c(C)nn(CCC#N)c1C)CCC2 ZINC000372251142 512781588 /nfs/dbraw/zinc/78/15/88/512781588.db2.gz XLBAGQPPAFXSMF-KRWDZBQOSA-N 1 2 368.485 2.545 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000374448711 512838100 /nfs/dbraw/zinc/83/81/00/512838100.db2.gz IRBCTBWWOIRWTQ-MRXNPFEDSA-N 1 2 370.478 2.659 20 30 FFEDLO N#Cc1ccccc1-c1ccccc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000370416103 512922871 /nfs/dbraw/zinc/92/28/71/512922871.db2.gz RLILFWONDZLXKM-SFHVURJKSA-N 1 2 361.445 2.772 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368394384 512928932 /nfs/dbraw/zinc/92/89/32/512928932.db2.gz VIZJZTMHCTZKAX-GOEBONIOSA-N 1 2 374.510 2.923 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368394384 512928934 /nfs/dbraw/zinc/92/89/34/512928934.db2.gz VIZJZTMHCTZKAX-GOEBONIOSA-N 1 2 374.510 2.923 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000376735638 512964856 /nfs/dbraw/zinc/96/48/56/512964856.db2.gz HVIZRAGXBIAHLA-HXUWFJFHSA-N 1 2 360.461 2.959 20 30 FFEDLO C=CCNc1ncc(C(=O)NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)s1 ZINC000412333067 513042521 /nfs/dbraw/zinc/04/25/21/513042521.db2.gz QRHNMNQDCDYZNG-UHFFFAOYSA-N 1 2 367.478 2.857 20 30 FFEDLO C=CCC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1)c1ccccc1 ZINC000412373562 513056969 /nfs/dbraw/zinc/05/69/69/513056969.db2.gz SCWRWEFGAUURCN-PKOBYXMFSA-N 1 2 358.482 2.738 20 30 FFEDLO C=CCC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1)c1ccccc1 ZINC000412373562 513056970 /nfs/dbraw/zinc/05/69/70/513056970.db2.gz SCWRWEFGAUURCN-PKOBYXMFSA-N 1 2 358.482 2.738 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)C[C@@H](C)C#N ZINC000368846853 513120205 /nfs/dbraw/zinc/12/02/05/513120205.db2.gz UBGOBKJTBXCXQI-MAUKXSAKSA-N 1 2 359.470 2.849 20 30 FFEDLO CC[N@H+](CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)C[C@@H](C)C#N ZINC000368846853 513120208 /nfs/dbraw/zinc/12/02/08/513120208.db2.gz UBGOBKJTBXCXQI-MAUKXSAKSA-N 1 2 359.470 2.849 20 30 FFEDLO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(C#N)cc1OC(F)F ZINC000439560142 513141429 /nfs/dbraw/zinc/14/14/29/513141429.db2.gz HTEMEWOKLQEHKH-GFCCVEGCSA-N 1 2 372.375 2.772 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](C)[C@H](C)O1 ZINC000446075528 513179776 /nfs/dbraw/zinc/17/97/76/513179776.db2.gz ZFSSVTKTSSDCIT-ILXRZTDVSA-N 1 2 368.399 2.671 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](C)[C@H](C)O1 ZINC000446075528 513179782 /nfs/dbraw/zinc/17/97/82/513179782.db2.gz ZFSSVTKTSSDCIT-ILXRZTDVSA-N 1 2 368.399 2.671 20 30 FFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000450418988 513185661 /nfs/dbraw/zinc/18/56/61/513185661.db2.gz NKCUUODZDKSTIM-CYBMUJFWSA-N 1 2 355.373 2.884 20 30 FFEDLO COC(=O)c1cc(F)ccc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428782143 513188306 /nfs/dbraw/zinc/18/83/06/513188306.db2.gz HWMNKNBQFARVBX-INIZCTEOSA-N 1 2 355.369 2.532 20 30 FFEDLO COC(=O)c1cc(F)ccc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428782143 513188313 /nfs/dbraw/zinc/18/83/13/513188313.db2.gz HWMNKNBQFARVBX-INIZCTEOSA-N 1 2 355.369 2.532 20 30 FFEDLO Cc1c(Cl)c(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1C ZINC000421341361 513229684 /nfs/dbraw/zinc/22/96/84/513229684.db2.gz KCRGWNXCXRIDQB-HNNXBMFYSA-N 1 2 357.845 2.539 20 30 FFEDLO C[C@@H](C(=O)N1CCCC(C)(C)[C@H]1C#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000434449172 513326755 /nfs/dbraw/zinc/32/67/55/513326755.db2.gz BGSGJSYYAJFZAH-QFBILLFUSA-N 1 2 372.488 2.877 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)c(OC(F)F)c1 ZINC000450895609 513389581 /nfs/dbraw/zinc/38/95/81/513389581.db2.gz KDTGYYKIYABVIO-LBPRGKRZSA-N 1 2 350.325 2.628 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)c(OC(F)F)c1 ZINC000450895609 513389587 /nfs/dbraw/zinc/38/95/87/513389587.db2.gz KDTGYYKIYABVIO-LBPRGKRZSA-N 1 2 350.325 2.628 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](C3N=NC(=O)O3)C2)c(OC(F)F)c1 ZINC000450895609 513389592 /nfs/dbraw/zinc/38/95/92/513389592.db2.gz KDTGYYKIYABVIO-LBPRGKRZSA-N 1 2 350.325 2.628 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](C3N=NC(=O)O3)C2)c(OC(F)F)c1 ZINC000450895609 513389596 /nfs/dbraw/zinc/38/95/96/513389596.db2.gz KDTGYYKIYABVIO-LBPRGKRZSA-N 1 2 350.325 2.628 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000434985140 513482899 /nfs/dbraw/zinc/48/28/99/513482899.db2.gz GMHYJJFFMZFPJQ-QGZVFWFLSA-N 1 2 363.387 2.828 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000441272337 513527100 /nfs/dbraw/zinc/52/71/00/513527100.db2.gz UPFAKMYKNRUZES-UHFFFAOYSA-N 1 2 364.405 2.747 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000441272337 513527106 /nfs/dbraw/zinc/52/71/06/513527106.db2.gz UPFAKMYKNRUZES-UHFFFAOYSA-N 1 2 364.405 2.747 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ncc(CC)s2)CC1 ZINC000441346901 513546494 /nfs/dbraw/zinc/54/64/94/513546494.db2.gz BFMWRFLVVCKPGJ-OAHLLOKOSA-N 1 2 350.532 2.641 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-c2ccccn2)nc1 ZINC000425417392 513553807 /nfs/dbraw/zinc/55/38/07/513553807.db2.gz HRSXUAMJSGXUTB-INIZCTEOSA-N 1 2 371.448 2.516 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(-c2ccccn2)nc1 ZINC000425417392 513553816 /nfs/dbraw/zinc/55/38/16/513553816.db2.gz HRSXUAMJSGXUTB-INIZCTEOSA-N 1 2 371.448 2.516 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)c1ccc(C#N)s1 ZINC000435430274 513583432 /nfs/dbraw/zinc/58/34/32/513583432.db2.gz ZXJJRMHNOGNCKZ-UHFFFAOYSA-N 1 2 360.464 2.647 20 30 FFEDLO C[C@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)[C@H]1C(=O)OC(C)(C)C ZINC000425511407 513610976 /nfs/dbraw/zinc/61/09/76/513610976.db2.gz CXNKDHFZDKWPMK-HNAYVOBHSA-N 1 2 371.481 2.617 20 30 FFEDLO C[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)[C@H]1C(=O)OC(C)(C)C ZINC000425511407 513610985 /nfs/dbraw/zinc/61/09/85/513610985.db2.gz CXNKDHFZDKWPMK-HNAYVOBHSA-N 1 2 371.481 2.617 20 30 FFEDLO CCC[N@H+]([C@@H](C)C(=O)OCC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000448511369 513770437 /nfs/dbraw/zinc/77/04/37/513770437.db2.gz TWLPMKXRGXZNCX-YJBOKZPZSA-N 1 2 357.454 2.717 20 30 FFEDLO CCC[N@@H+]([C@@H](C)C(=O)OCC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000448511369 513770442 /nfs/dbraw/zinc/77/04/42/513770442.db2.gz TWLPMKXRGXZNCX-YJBOKZPZSA-N 1 2 357.454 2.717 20 30 FFEDLO COC1(C(F)(F)F)CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000419327977 513778297 /nfs/dbraw/zinc/77/82/97/513778297.db2.gz MVXQDMDCGMCTRB-UHFFFAOYSA-N 1 2 369.387 2.977 20 30 FFEDLO COc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cc1C#N ZINC000436262928 513811993 /nfs/dbraw/zinc/81/19/93/513811993.db2.gz RJFNIMQHCAKXDN-IRLDBZIGSA-N 1 2 363.461 2.652 20 30 FFEDLO COc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cc1C#N ZINC000436262928 513811994 /nfs/dbraw/zinc/81/19/94/513811994.db2.gz RJFNIMQHCAKXDN-IRLDBZIGSA-N 1 2 363.461 2.652 20 30 FFEDLO N#Cc1ccc(F)cc1CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000436269886 513813779 /nfs/dbraw/zinc/81/37/79/513813779.db2.gz LHMGCXRNQLUQLJ-RTWAWAEBSA-N 1 2 351.425 2.783 20 30 FFEDLO N#Cc1ccc(F)cc1CN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000436269886 513813785 /nfs/dbraw/zinc/81/37/85/513813785.db2.gz LHMGCXRNQLUQLJ-RTWAWAEBSA-N 1 2 351.425 2.783 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000413832987 513837343 /nfs/dbraw/zinc/83/73/43/513837343.db2.gz JPODEBPLMJUJAO-MOPGFXCFSA-N 1 2 367.497 2.985 20 30 FFEDLO C[C@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000416620912 513872393 /nfs/dbraw/zinc/87/23/93/513872393.db2.gz YOICKGOPRMXWNX-KRWDZBQOSA-N 1 2 369.490 2.594 20 30 FFEDLO C[C@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000416620912 513872403 /nfs/dbraw/zinc/87/24/03/513872403.db2.gz YOICKGOPRMXWNX-KRWDZBQOSA-N 1 2 369.490 2.594 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC4CCC3CC4)CC2)cc1 ZINC000426489093 513957039 /nfs/dbraw/zinc/95/70/39/513957039.db2.gz YULRXKXYUROKGS-RRWXTXHCSA-N 1 2 352.482 2.964 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000414098964 513975050 /nfs/dbraw/zinc/97/50/50/513975050.db2.gz PZBVWTAYIVKOPA-KRWDZBQOSA-N 1 2 371.510 2.502 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000414098964 513975051 /nfs/dbraw/zinc/97/50/51/513975051.db2.gz PZBVWTAYIVKOPA-KRWDZBQOSA-N 1 2 371.510 2.502 20 30 FFEDLO N#Cc1cccc(NCC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000443558309 513993982 /nfs/dbraw/zinc/99/39/82/513993982.db2.gz LSSRJUIBGZYWOS-UHFFFAOYSA-N 1 2 368.868 2.798 20 30 FFEDLO N#Cc1cccc(NCC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000443558309 513993987 /nfs/dbraw/zinc/99/39/87/513993987.db2.gz LSSRJUIBGZYWOS-UHFFFAOYSA-N 1 2 368.868 2.798 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2ccc(C#N)c(C)c2)c1C ZINC000443905338 514067946 /nfs/dbraw/zinc/06/79/46/514067946.db2.gz XKTPCEOYUMUVCI-UHFFFAOYSA-N 1 2 359.451 2.708 20 30 FFEDLO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(C)c2)CC1 ZINC000443967969 514086373 /nfs/dbraw/zinc/08/63/73/514086373.db2.gz WBOGHAZQSCNNCK-UHFFFAOYSA-N 1 2 369.490 2.682 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(OCCOC(C)C)CC1 ZINC000451950944 514088931 /nfs/dbraw/zinc/08/89/31/514088931.db2.gz JFQHMTWXUYJRMP-IBGZPJMESA-N 1 2 360.454 2.678 20 30 FFEDLO CCn1nnc(C)c1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000449294687 514151047 /nfs/dbraw/zinc/15/10/47/514151047.db2.gz MKHFXMKOZGFMSZ-KRWDZBQOSA-N 1 2 358.877 2.642 20 30 FFEDLO Cc1cccc(S(=O)(=O)N2C[C@H](C)[NH2+]Cc3ccc(F)cc32)c1C#N ZINC000420465355 514158501 /nfs/dbraw/zinc/15/85/01/514158501.db2.gz VGRLOAFLMCIYEF-ZDUSSCGKSA-N 1 2 359.426 2.693 20 30 FFEDLO CN(Cc1c[nH+]cn1Cc1ccccc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000437616223 514196115 /nfs/dbraw/zinc/19/61/15/514196115.db2.gz RUQRDMGHRSTRSH-UHFFFAOYSA-N 1 2 366.446 2.624 20 30 FFEDLO C=C(C)[C@@H](CC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1)OCC ZINC000444346139 514199951 /nfs/dbraw/zinc/19/99/51/514199951.db2.gz WWJFANNBKMPOMJ-HXUWFJFHSA-N 1 2 373.497 2.661 20 30 FFEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420843318 514331112 /nfs/dbraw/zinc/33/11/12/514331112.db2.gz FQNBSHDUGJEZTJ-UHFFFAOYSA-N 1 2 352.438 2.928 20 30 FFEDLO C[C@H]1C[C@]1(C#N)C(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000449834329 514379058 /nfs/dbraw/zinc/37/90/58/514379058.db2.gz JWLLHEQJBCHILV-IFXJQAMLSA-N 1 2 371.872 2.572 20 30 FFEDLO C[C@H]1C[C@]1(C#N)C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000449834329 514379067 /nfs/dbraw/zinc/37/90/67/514379067.db2.gz JWLLHEQJBCHILV-IFXJQAMLSA-N 1 2 371.872 2.572 20 30 FFEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccccc2I)nn1 ZINC000424299680 514449401 /nfs/dbraw/zinc/44/94/01/514449401.db2.gz VYOAHCLVHBEGPU-LLVKDONJSA-N 1 2 368.222 2.920 20 30 FFEDLO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000453273123 514584337 /nfs/dbraw/zinc/58/43/37/514584337.db2.gz IUAVMDPNQYEIDJ-YMXBGEKHSA-N 1 2 366.458 2.535 20 30 FFEDLO Cn1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1C#N ZINC000475348937 514630270 /nfs/dbraw/zinc/63/02/70/514630270.db2.gz VONCSBOZHLEMJC-IBGZPJMESA-N 1 2 353.857 2.933 20 30 FFEDLO C[C@H]1CCCN(C(=O)C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1 ZINC000471008620 514714324 /nfs/dbraw/zinc/71/43/24/514714324.db2.gz QDJBMFDPOFDGTN-LPHOPBHVSA-N 1 2 374.916 2.781 20 30 FFEDLO CC(C)CNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471009906 514715478 /nfs/dbraw/zinc/71/54/78/514715478.db2.gz WVESVWKQNQMRGS-QAPCUYQASA-N 1 2 362.905 2.683 20 30 FFEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000471011516 514717475 /nfs/dbraw/zinc/71/74/75/514717475.db2.gz ZSMMPAYMZUFXCO-IBGZPJMESA-N 1 2 368.868 2.821 20 30 FFEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471011257 514717490 /nfs/dbraw/zinc/71/74/90/514717490.db2.gz IVEQOZPTELGQOF-VQIMIIECSA-N 1 2 374.916 2.923 20 30 FFEDLO C=CCC[C@@H](CO)NC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000458389143 514756415 /nfs/dbraw/zinc/75/64/15/514756415.db2.gz ZFHYRQOKCFJSJM-CABCVRRESA-N 1 2 367.440 2.556 20 30 FFEDLO C=CCC[C@@H](CO)NC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000458389143 514756419 /nfs/dbraw/zinc/75/64/19/514756419.db2.gz ZFHYRQOKCFJSJM-CABCVRRESA-N 1 2 367.440 2.556 20 30 FFEDLO C=CCOc1ccc(CNc2ccc(Cn3cc[nH+]c3)cn2)cc1OC ZINC000508515909 514805808 /nfs/dbraw/zinc/80/58/08/514805808.db2.gz HWDYZUSUZROGPG-UHFFFAOYSA-N 1 2 350.422 2.934 20 30 FFEDLO C=CCCC1(C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC000476030813 514889915 /nfs/dbraw/zinc/88/99/15/514889915.db2.gz IGWWLSOOWQRRGH-UHFFFAOYSA-N 1 2 361.530 2.574 20 30 FFEDLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000503091199 514916138 /nfs/dbraw/zinc/91/61/38/514916138.db2.gz SSXRFSXXWMVPPW-FQEVSTJZSA-N 1 2 370.474 2.756 20 30 FFEDLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000503091199 514916145 /nfs/dbraw/zinc/91/61/45/514916145.db2.gz SSXRFSXXWMVPPW-FQEVSTJZSA-N 1 2 370.474 2.756 20 30 FFEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccncc3)CC2)c(OC(F)F)c1 ZINC000503184299 514947010 /nfs/dbraw/zinc/94/70/10/514947010.db2.gz YSPBZRFFUJFPOJ-UHFFFAOYSA-N 1 2 358.392 2.872 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462252491 514959829 /nfs/dbraw/zinc/95/98/29/514959829.db2.gz KRBGWEFKFYPIDA-AWEZNQCLSA-N 1 2 350.422 2.841 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503223687 514968488 /nfs/dbraw/zinc/96/84/88/514968488.db2.gz ZFENEKZOHQKJBX-ROUUACIJSA-N 1 2 357.498 2.727 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503223687 514968494 /nfs/dbraw/zinc/96/84/94/514968494.db2.gz ZFENEKZOHQKJBX-ROUUACIJSA-N 1 2 357.498 2.727 20 30 FFEDLO C=C(C)CCNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000453894440 514995217 /nfs/dbraw/zinc/99/52/17/514995217.db2.gz RVAHINISFASOHB-UHFFFAOYSA-N 1 2 352.438 2.907 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3cccc(Br)c3)CC2)c1C#N ZINC000471811978 515017882 /nfs/dbraw/zinc/01/78/82/515017882.db2.gz PZYZKFZGIVVGLZ-UHFFFAOYSA-N 1 2 374.286 2.685 20 30 FFEDLO C[C@H]1C[C@H](NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)c2[nH+]ccn21 ZINC000453987791 515100416 /nfs/dbraw/zinc/10/04/16/515100416.db2.gz XZRHPWOEQUABNQ-GWCFXTLKSA-N 1 2 371.466 2.874 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000456353947 515121559 /nfs/dbraw/zinc/12/15/59/515121559.db2.gz NATZZCSYSAPEEO-HIFRSBDPSA-N 1 2 355.417 2.617 20 30 FFEDLO C[C@H](C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1)c1cccc(C#N)c1 ZINC000462560284 515123711 /nfs/dbraw/zinc/12/37/11/515123711.db2.gz ZQLFMENCBLPGKW-YJBOKZPZSA-N 1 2 364.449 2.803 20 30 FFEDLO CC(C)Cc1nnc(NC(=O)C[N@H+](C)CCOc2cccc(C#N)c2)s1 ZINC000485683041 515139768 /nfs/dbraw/zinc/13/97/68/515139768.db2.gz GXODOAPLWAIQSZ-UHFFFAOYSA-N 1 2 373.482 2.558 20 30 FFEDLO CC(C)Cc1nnc(NC(=O)C[N@@H+](C)CCOc2cccc(C#N)c2)s1 ZINC000485683041 515139773 /nfs/dbraw/zinc/13/97/73/515139773.db2.gz GXODOAPLWAIQSZ-UHFFFAOYSA-N 1 2 373.482 2.558 20 30 FFEDLO C=CCCCCCN(C)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000480968270 515155377 /nfs/dbraw/zinc/15/53/77/515155377.db2.gz DMHTWPLORGBPAB-UHFFFAOYSA-N 1 2 372.444 2.832 20 30 FFEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000472332484 515230378 /nfs/dbraw/zinc/23/03/78/515230378.db2.gz WVJDHJZHBKYWIN-MSOLQXFVSA-N 1 2 367.453 2.830 20 30 FFEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000472332484 515230386 /nfs/dbraw/zinc/23/03/86/515230386.db2.gz WVJDHJZHBKYWIN-MSOLQXFVSA-N 1 2 367.453 2.830 20 30 FFEDLO CN(Cc1ccc(C#N)cc1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472371146 515248882 /nfs/dbraw/zinc/24/88/82/515248882.db2.gz YIGGGPQHNGKFMT-UHFFFAOYSA-N 1 2 366.421 2.935 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCc1ccc2ccccc2c1 ZINC000499327533 515286095 /nfs/dbraw/zinc/28/60/95/515286095.db2.gz ADMSMOONJQUOGU-UHFFFAOYSA-N 1 2 365.477 2.847 20 30 FFEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000504574867 515331404 /nfs/dbraw/zinc/33/14/04/515331404.db2.gz IGURFQCZQAQMPG-MRXNPFEDSA-N 1 2 361.449 2.857 20 30 FFEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000504574867 515331414 /nfs/dbraw/zinc/33/14/14/515331414.db2.gz IGURFQCZQAQMPG-MRXNPFEDSA-N 1 2 361.449 2.857 20 30 FFEDLO N#Cc1cccc(OCCC[NH+]2CCN(C(=O)c3ccsc3)CC2)c1 ZINC000477171907 515356456 /nfs/dbraw/zinc/35/64/56/515356456.db2.gz YDBURJIAOCBIDC-UHFFFAOYSA-N 1 2 355.463 2.847 20 30 FFEDLO C=CCN1CC[C@H](N2CC[N@@H+](Cc3ccc(C)nc3)C[C@H]2[C@H](C)CC)C1=O ZINC000499569645 515373182 /nfs/dbraw/zinc/37/31/82/515373182.db2.gz CJKAXPTUTFJKOV-QMMLZNLJSA-N 1 2 370.541 2.709 20 30 FFEDLO C=CCN1CC[C@H](N2CC[N@H+](Cc3ccc(C)nc3)C[C@H]2[C@H](C)CC)C1=O ZINC000499569645 515373193 /nfs/dbraw/zinc/37/31/93/515373193.db2.gz CJKAXPTUTFJKOV-QMMLZNLJSA-N 1 2 370.541 2.709 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000472758640 515385177 /nfs/dbraw/zinc/38/51/77/515385177.db2.gz ZDRBNGVLGUNEMY-UHFFFAOYSA-N 1 2 352.482 2.781 20 30 FFEDLO C=CCN(CC=C)C(=O)CN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000510426135 515536699 /nfs/dbraw/zinc/53/66/99/515536699.db2.gz OUGXMGKNSZTEHK-UHFFFAOYSA-N 1 2 354.429 2.570 20 30 FFEDLO CCc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000468842715 515546745 /nfs/dbraw/zinc/54/67/45/515546745.db2.gz FHDURVWYJXXLIH-UHFFFAOYSA-N 1 2 369.490 2.627 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1=O ZINC000499989593 515548059 /nfs/dbraw/zinc/54/80/59/515548059.db2.gz UKKDYSOHDXHJNT-HXUWFJFHSA-N 1 2 368.456 2.719 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1=O ZINC000499989593 515548065 /nfs/dbraw/zinc/54/80/65/515548065.db2.gz UKKDYSOHDXHJNT-HXUWFJFHSA-N 1 2 368.456 2.719 20 30 FFEDLO Cc1cccc([C@@H](CNC(=O)c2cccc(C#N)c2C)[NH+]2CCOCC2)c1 ZINC000510479281 515551627 /nfs/dbraw/zinc/55/16/27/515551627.db2.gz ZMDDXTVIUNQQTH-OAQYLSRUSA-N 1 2 363.461 2.978 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2c(CC)cccc2CC)C1=O ZINC000500002273 515553295 /nfs/dbraw/zinc/55/32/95/515553295.db2.gz SDEAYYOYUORDNY-MAUKXSAKSA-N 1 2 357.498 2.857 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2c(CC)cccc2CC)C1=O ZINC000500002273 515553303 /nfs/dbraw/zinc/55/33/03/515553303.db2.gz SDEAYYOYUORDNY-MAUKXSAKSA-N 1 2 357.498 2.857 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N[C@@H](CCC)c2ccccc2)C1=O ZINC000500004507 515554996 /nfs/dbraw/zinc/55/49/96/515554996.db2.gz BVHGKSDSJRNTJH-NEWSRXKRSA-N 1 2 357.498 2.751 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N[C@@H](CCC)c2ccccc2)C1=O ZINC000500004507 515555003 /nfs/dbraw/zinc/55/50/03/515555003.db2.gz BVHGKSDSJRNTJH-NEWSRXKRSA-N 1 2 357.498 2.751 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)Nc1cc(C)cc(C#N)c1)CC2 ZINC000456971770 515556154 /nfs/dbraw/zinc/55/61/54/515556154.db2.gz UGJZPHBUUAEDFH-UHFFFAOYSA-N 1 2 365.433 2.881 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)Nc1cc(C)cc(C#N)c1)CC2 ZINC000456971770 515556162 /nfs/dbraw/zinc/55/61/62/515556162.db2.gz UGJZPHBUUAEDFH-UHFFFAOYSA-N 1 2 365.433 2.881 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1=O ZINC000500014988 515560734 /nfs/dbraw/zinc/56/07/34/515560734.db2.gz CMLVKFXTENXDMW-HKUYNNGSSA-N 1 2 357.498 2.531 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1=O ZINC000500014988 515560743 /nfs/dbraw/zinc/56/07/43/515560743.db2.gz CMLVKFXTENXDMW-HKUYNNGSSA-N 1 2 357.498 2.531 20 30 FFEDLO N#Cc1ccc(CN2CC[NH+](CCOCC(F)(F)C(F)F)CC2)cc1 ZINC000468884772 515564892 /nfs/dbraw/zinc/56/48/92/515564892.db2.gz HZTSHWXERHWEOU-UHFFFAOYSA-N 1 2 359.367 2.593 20 30 FFEDLO Cc1cc(C[NH+]2CCN(CC(=O)Nc3ccc(F)cc3)CC2)ccc1C#N ZINC000486793640 515636188 /nfs/dbraw/zinc/63/61/88/515636188.db2.gz JHIVKMJTJJLWJK-UHFFFAOYSA-N 1 2 366.440 2.762 20 30 FFEDLO Cc1cc(C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)ccc1C#N ZINC000486795425 515637410 /nfs/dbraw/zinc/63/74/10/515637410.db2.gz CJMIHKWJYPYROX-UHFFFAOYSA-N 1 2 367.424 2.729 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CCCC1(C)C ZINC000500293589 515658713 /nfs/dbraw/zinc/65/87/13/515658713.db2.gz WVMDKJZMUVLMMW-INIZCTEOSA-N 1 2 354.454 2.544 20 30 FFEDLO C=CCOC[C@@H]([NH2+][C@@H]1CCc2cc(Br)ccc2C1)C(=O)OC ZINC000482437482 515675390 /nfs/dbraw/zinc/67/53/90/515675390.db2.gz KQELRDHCADDTCM-HZPDHXFCSA-N 1 2 368.271 2.640 20 30 FFEDLO CCN1CC[NH+]([C@H](C)CNc2c(C#N)cnc3c(F)cc(F)cc32)CC1 ZINC000486926323 515688075 /nfs/dbraw/zinc/68/80/75/515688075.db2.gz IOFNGQOQWGJSIX-CYBMUJFWSA-N 1 2 359.424 2.823 20 30 FFEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc2[nH]ccc21 ZINC000494019161 515713431 /nfs/dbraw/zinc/71/34/31/515713431.db2.gz SJRFUMIMTJWMFV-UHFFFAOYSA-N 1 2 353.447 2.945 20 30 FFEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc2[nH]ccc21 ZINC000494019161 515713437 /nfs/dbraw/zinc/71/34/37/515713437.db2.gz SJRFUMIMTJWMFV-UHFFFAOYSA-N 1 2 353.447 2.945 20 30 FFEDLO N#CC1(F)CC[NH+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000510945238 515721856 /nfs/dbraw/zinc/72/18/56/515721856.db2.gz IGZMVWMNVBINFB-MRXNPFEDSA-N 1 2 351.372 2.783 20 30 FFEDLO N#CC1(F)CC[NH+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 ZINC000510948400 515722999 /nfs/dbraw/zinc/72/29/99/515722999.db2.gz OSOUDPMZSAXZDK-UHFFFAOYSA-N 1 2 361.314 2.788 20 30 FFEDLO CCn1nccc1C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCO ZINC000482907151 515844765 /nfs/dbraw/zinc/84/47/65/515844765.db2.gz XWFRIGHMQJKBLP-UHFFFAOYSA-N 1 2 367.371 2.648 20 30 FFEDLO CCn1nccc1C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCO ZINC000482907151 515844769 /nfs/dbraw/zinc/84/47/69/515844769.db2.gz XWFRIGHMQJKBLP-UHFFFAOYSA-N 1 2 367.371 2.648 20 30 FFEDLO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000501192104 516013229 /nfs/dbraw/zinc/01/32/29/516013229.db2.gz OEQHPXFHHSDNQK-IRXDYDNUSA-N 1 2 369.490 2.842 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000501192104 516013236 /nfs/dbraw/zinc/01/32/36/516013236.db2.gz OEQHPXFHHSDNQK-IRXDYDNUSA-N 1 2 369.490 2.842 20 30 FFEDLO C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cccc(C#N)c1F ZINC000511847534 516052711 /nfs/dbraw/zinc/05/27/11/516052711.db2.gz ZTTHZTPEAPVGHZ-UHFFFAOYSA-N 1 2 366.484 2.947 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000455231101 516058564 /nfs/dbraw/zinc/05/85/64/516058564.db2.gz YEJCUJQZSQFLEB-ZWKOTPCHSA-N 1 2 361.873 2.518 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000470006593 516076530 /nfs/dbraw/zinc/07/65/30/516076530.db2.gz RVCOMIPDFXRQFW-LJQANCHMSA-N 1 2 359.433 2.552 20 30 FFEDLO C[C@H]1CCC[C@](C#N)(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000479147123 516077804 /nfs/dbraw/zinc/07/78/04/516077804.db2.gz YOVYHFJKEDAISZ-YJBOKZPZSA-N 1 2 358.467 2.682 20 30 FFEDLO COc1cc(Cl)c(C)cc1N1C(=O)C[C@H]([NH+]2CCC(C#N)CC2)C1=O ZINC000488015844 516080995 /nfs/dbraw/zinc/08/09/95/516080995.db2.gz SBEKDYYBXTWRMC-HNNXBMFYSA-N 1 2 361.829 2.525 20 30 FFEDLO CC1CCC(N(C)C(=O)C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000507185560 516116273 /nfs/dbraw/zinc/11/62/73/516116273.db2.gz ZDRJZDPQKJFBCA-UHFFFAOYSA-N 1 2 372.488 2.856 20 30 FFEDLO C=CCn1c(C)cc(C(=O)CN2CCN(c3cc(C)cc[nH+]3)CC2)c1C ZINC000483538643 516126215 /nfs/dbraw/zinc/12/62/15/516126215.db2.gz BTBJQWWOVCLGEH-UHFFFAOYSA-N 1 2 352.482 2.999 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)OC[C@@H]2C)cc1 ZINC000488155793 516136849 /nfs/dbraw/zinc/13/68/49/516136849.db2.gz ZPOCYUYWBVRRFB-INIZCTEOSA-N 1 2 359.470 2.831 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)OC[C@@H]2C)cc1 ZINC000488155793 516136854 /nfs/dbraw/zinc/13/68/54/516136854.db2.gz ZPOCYUYWBVRRFB-INIZCTEOSA-N 1 2 359.470 2.831 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000488177265 516145092 /nfs/dbraw/zinc/14/50/92/516145092.db2.gz LKHMPDVZADCZFH-KRWDZBQOSA-N 1 2 368.481 2.751 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000479304758 516145787 /nfs/dbraw/zinc/14/57/87/516145787.db2.gz FLSPVKOIMFKQBR-UHFFFAOYSA-N 1 2 358.442 2.521 20 30 FFEDLO C=CC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000470170840 516160749 /nfs/dbraw/zinc/16/07/49/516160749.db2.gz AWPFPCBKZBDTEA-SHRNQRGKSA-N 1 2 350.440 2.673 20 30 FFEDLO C=CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000470170840 516160757 /nfs/dbraw/zinc/16/07/57/516160757.db2.gz AWPFPCBKZBDTEA-SHRNQRGKSA-N 1 2 350.440 2.673 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507305543 516165504 /nfs/dbraw/zinc/16/55/04/516165504.db2.gz ODSRZIIHWMXLJR-AOIWGVFYSA-N 1 2 354.498 2.764 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCCc1ccccc1 ZINC000512181105 516186927 /nfs/dbraw/zinc/18/69/27/516186927.db2.gz OIXQPVDPYIXFCC-QGZVFWFLSA-N 1 2 356.466 2.897 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCCc1ccccc1 ZINC000512181105 516186935 /nfs/dbraw/zinc/18/69/35/516186935.db2.gz OIXQPVDPYIXFCC-QGZVFWFLSA-N 1 2 356.466 2.897 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)N1CCc2ccccc2C1)Cc1ccc(CO)o1 ZINC000512199755 516193986 /nfs/dbraw/zinc/19/39/86/516193986.db2.gz CXQACQPBBAWHHB-UHFFFAOYSA-N 1 2 354.450 2.735 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)N1CCc2ccccc2C1)Cc1ccc(CO)o1 ZINC000512199755 516193991 /nfs/dbraw/zinc/19/39/91/516193991.db2.gz CXQACQPBBAWHHB-UHFFFAOYSA-N 1 2 354.450 2.735 20 30 FFEDLO Cc1cc(C)cc(OC[C@H](O)C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000460598522 516199263 /nfs/dbraw/zinc/19/92/63/516199263.db2.gz PGBQGKVXAMUQAL-GOSISDBHSA-N 1 2 352.434 2.678 20 30 FFEDLO CC(C)c1ccccc1OCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000501807099 516228699 /nfs/dbraw/zinc/22/86/99/516228699.db2.gz ZXUBWOJRKVTFFT-UHFFFAOYSA-N 1 2 373.497 2.653 20 30 FFEDLO Cc1cccc(CS(=O)(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000507516933 516230328 /nfs/dbraw/zinc/23/03/28/516230328.db2.gz VEXHNOILNUMNEV-UHFFFAOYSA-N 1 2 369.490 2.514 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000488560862 516260272 /nfs/dbraw/zinc/26/02/72/516260272.db2.gz KRPHRDKVGUJPEX-UHFFFAOYSA-N 1 2 357.429 2.780 20 30 FFEDLO Cc1[nH+]c2ccccn2c1Cn1c(C)c(Br)cc(C#N)c1=O ZINC000460937212 516285672 /nfs/dbraw/zinc/28/56/72/516285672.db2.gz HAIJUWMBHVDPMA-UHFFFAOYSA-N 1 2 357.211 2.795 20 30 FFEDLO Cc1cc(F)cc2c1C[N@@H+]([C@H]1CC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 ZINC000507713524 516287364 /nfs/dbraw/zinc/28/73/64/516287364.db2.gz KGYRCHUAFNDDLK-IBGZPJMESA-N 1 2 363.392 2.696 20 30 FFEDLO Cc1cc(F)cc2c1C[N@H+]([C@H]1CC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 ZINC000507713524 516287369 /nfs/dbraw/zinc/28/73/69/516287369.db2.gz KGYRCHUAFNDDLK-IBGZPJMESA-N 1 2 363.392 2.696 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000502188775 516317532 /nfs/dbraw/zinc/31/75/32/516317532.db2.gz WEBBLGPRMBBDQQ-SFHVURJKSA-N 1 2 361.530 2.690 20 30 FFEDLO CC(C)(CCC#N)CNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000554262146 516349072 /nfs/dbraw/zinc/34/90/72/516349072.db2.gz ZAAPKEYNZHIKIM-OAHLLOKOSA-N 1 2 364.515 2.751 20 30 FFEDLO C[C@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H](c2ccccc2)O1 ZINC000528358649 516375959 /nfs/dbraw/zinc/37/59/59/516375959.db2.gz MJISKYPHXCHASU-LAUBAEHRSA-N 1 2 374.440 2.748 20 30 FFEDLO C[C@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H](c2ccccc2)O1 ZINC000528358649 516375969 /nfs/dbraw/zinc/37/59/69/516375969.db2.gz MJISKYPHXCHASU-LAUBAEHRSA-N 1 2 374.440 2.748 20 30 FFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCO[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000528363254 516379381 /nfs/dbraw/zinc/37/93/81/516379381.db2.gz CUYOPOBAPAENKD-JKSUJKDBSA-N 1 2 365.271 2.877 20 30 FFEDLO N#CC1(C[C@H](O)C[N@H+]2CCO[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000528363254 516379386 /nfs/dbraw/zinc/37/93/86/516379386.db2.gz CUYOPOBAPAENKD-JKSUJKDBSA-N 1 2 365.271 2.877 20 30 FFEDLO Cc1noc(C)c1C[NH+](CCC(=O)N(C)CCC#N)Cc1c(C)noc1C ZINC000540052800 516422495 /nfs/dbraw/zinc/42/24/95/516422495.db2.gz IHBYUHDOEQIOKY-UHFFFAOYSA-N 1 2 373.457 2.661 20 30 FFEDLO C=CCOc1ccccc1CNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000543835074 516450865 /nfs/dbraw/zinc/45/08/65/516450865.db2.gz YCNJDGFHNGBWMT-UHFFFAOYSA-N 1 2 366.465 2.987 20 30 FFEDLO Cc1ccnc(OC2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC000543906008 516491821 /nfs/dbraw/zinc/49/18/21/516491821.db2.gz POQAFNZCGSJMPY-UHFFFAOYSA-N 1 2 350.422 2.744 20 30 FFEDLO COc1cc(Br)c(C[NH2+]C[C@H](C#N)CCC#N)cc1OC ZINC000554552447 516504440 /nfs/dbraw/zinc/50/44/40/516504440.db2.gz YKOOIZSUPJPXDQ-NSHDSACASA-N 1 2 352.232 2.999 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)c(F)c1 ZINC000561308345 516514795 /nfs/dbraw/zinc/51/47/95/516514795.db2.gz OOEGZILFIYUPJV-HNNXBMFYSA-N 1 2 368.412 2.526 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)NCCC3CCCCC3)CC2)cc1 ZINC000531648347 516574019 /nfs/dbraw/zinc/57/40/19/516574019.db2.gz UFJVXRHOFRGGSZ-UHFFFAOYSA-N 1 2 368.525 2.762 20 30 FFEDLO Cc1ccccc1C[C@@H](C)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000554737178 516611070 /nfs/dbraw/zinc/61/10/70/516611070.db2.gz NIFZRZVTMUWXJW-MRXNPFEDSA-N 1 2 357.479 2.598 20 30 FFEDLO Cc1ccccc1C[C@@H](C)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000554737178 516611076 /nfs/dbraw/zinc/61/10/76/516611076.db2.gz NIFZRZVTMUWXJW-MRXNPFEDSA-N 1 2 357.479 2.598 20 30 FFEDLO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000558166155 516626675 /nfs/dbraw/zinc/62/66/75/516626675.db2.gz XMJFPUXMZDIUOL-KDOFPFPSSA-N 1 2 373.453 2.949 20 30 FFEDLO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000558166155 516626680 /nfs/dbraw/zinc/62/66/80/516626680.db2.gz XMJFPUXMZDIUOL-KDOFPFPSSA-N 1 2 373.453 2.949 20 30 FFEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000513590633 516682367 /nfs/dbraw/zinc/68/23/67/516682367.db2.gz XCOGUGWUEFHSNG-UHFFFAOYSA-N 1 2 356.857 2.817 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528788517 516701004 /nfs/dbraw/zinc/70/10/04/516701004.db2.gz QAHWRPUGWVLMCG-VZJMEUIWSA-N 1 2 365.886 2.524 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528788517 516701008 /nfs/dbraw/zinc/70/10/08/516701008.db2.gz QAHWRPUGWVLMCG-VZJMEUIWSA-N 1 2 365.886 2.524 20 30 FFEDLO COc1ccc(F)cc1C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513666768 516710619 /nfs/dbraw/zinc/71/06/19/516710619.db2.gz OPJVLBOLDVUKIU-JLTOFOAXSA-N 1 2 351.381 2.680 20 30 FFEDLO COc1ccc(F)cc1C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513666768 516710631 /nfs/dbraw/zinc/71/06/31/516710631.db2.gz OPJVLBOLDVUKIU-JLTOFOAXSA-N 1 2 351.381 2.680 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)cc1 ZINC000548097378 516760606 /nfs/dbraw/zinc/76/06/06/516760606.db2.gz MLHNIGDHSYXGQE-ICSRJNTNSA-N 1 2 367.424 2.905 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@H](OCc3ccccc3F)C2)cc1 ZINC000548097378 516760614 /nfs/dbraw/zinc/76/06/14/516760614.db2.gz MLHNIGDHSYXGQE-ICSRJNTNSA-N 1 2 367.424 2.905 20 30 FFEDLO COCCO[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000561869220 516807463 /nfs/dbraw/zinc/80/74/63/516807463.db2.gz AJGZQIUQTLNVTA-INIZCTEOSA-N 1 2 353.260 2.948 20 30 FFEDLO COCCO[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000561869220 516807469 /nfs/dbraw/zinc/80/74/69/516807469.db2.gz AJGZQIUQTLNVTA-INIZCTEOSA-N 1 2 353.260 2.948 20 30 FFEDLO N#Cc1ccc(NCC(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)cc1 ZINC000513989126 516822268 /nfs/dbraw/zinc/82/22/68/516822268.db2.gz HPKWWIOVSAAMNU-SFHVURJKSA-N 1 2 354.841 2.797 20 30 FFEDLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000514008627 516830757 /nfs/dbraw/zinc/83/07/57/516830757.db2.gz NVJWZSALSMRHDA-YESZJQIVSA-N 1 2 372.488 2.997 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000558661801 516868768 /nfs/dbraw/zinc/86/87/68/516868768.db2.gz RRHOTUPKTATLQD-CHWSQXEVSA-N 1 2 355.467 2.579 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000558661801 516868780 /nfs/dbraw/zinc/86/87/80/516868780.db2.gz RRHOTUPKTATLQD-CHWSQXEVSA-N 1 2 355.467 2.579 20 30 FFEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000544727294 516898728 /nfs/dbraw/zinc/89/87/28/516898728.db2.gz DXNZUFVWTVTCLD-LJQANCHMSA-N 1 2 369.490 2.843 20 30 FFEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000544727294 516898737 /nfs/dbraw/zinc/89/87/37/516898737.db2.gz DXNZUFVWTVTCLD-LJQANCHMSA-N 1 2 369.490 2.843 20 30 FFEDLO COc1ccc([C@@H](CNc2nccc(C)c2C#N)[NH+]2CCOCC2)cc1 ZINC000541280081 516964476 /nfs/dbraw/zinc/96/44/76/516964476.db2.gz OCGORHWFTRJSGU-LJQANCHMSA-N 1 2 352.438 2.756 20 30 FFEDLO N#Cc1cccc(N2CCN(Cc3[nH+]ccn3Cc3ccccc3)CC2)n1 ZINC000544931375 516992812 /nfs/dbraw/zinc/99/28/12/516992812.db2.gz FUHHBCBFSDETPU-UHFFFAOYSA-N 1 2 358.449 2.520 20 30 FFEDLO CC(C)(C#N)c1ccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)cc1 ZINC000537021424 517006962 /nfs/dbraw/zinc/00/69/62/517006962.db2.gz WQPHQQLTMPLEOR-UHFFFAOYSA-N 1 2 364.449 2.967 20 30 FFEDLO COCc1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1C#N ZINC000529209379 517007576 /nfs/dbraw/zinc/00/75/76/517007576.db2.gz FOPHTKYZRSPTRT-UHFFFAOYSA-N 1 2 353.426 2.602 20 30 FFEDLO Cc1cccc(N2CCN(C(=O)C[N@H+](CCC#N)CC(C)(C)C)CC2)c1 ZINC000525328790 517009202 /nfs/dbraw/zinc/00/92/02/517009202.db2.gz MMWIOZDOKUMJPZ-UHFFFAOYSA-N 1 2 356.514 2.905 20 30 FFEDLO Cc1cccc(N2CCN(C(=O)C[N@@H+](CCC#N)CC(C)(C)C)CC2)c1 ZINC000525328790 517009207 /nfs/dbraw/zinc/00/92/07/517009207.db2.gz MMWIOZDOKUMJPZ-UHFFFAOYSA-N 1 2 356.514 2.905 20 30 FFEDLO C=CC[C@H](CO)CNC(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000558981176 517027926 /nfs/dbraw/zinc/02/79/26/517027926.db2.gz RLHGCCISRRYCKP-HNNXBMFYSA-N 1 2 356.470 2.917 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)cc1 ZINC000519553732 517042706 /nfs/dbraw/zinc/04/27/06/517042706.db2.gz HNTNVSDHMGYABG-UHFFFAOYSA-N 1 2 371.444 2.702 20 30 FFEDLO C=CCC[C@H](NC(=O)C(=O)NCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000555717435 517083649 /nfs/dbraw/zinc/08/36/49/517083649.db2.gz AZUQRAIGDIUUSX-SFHVURJKSA-N 1 2 362.433 2.774 20 30 FFEDLO CC(C)c1nc(N(C)CCCc2[nH]nc(N)c2C#N)cc(C(C)(C)C)[nH+]1 ZINC000562418226 517095158 /nfs/dbraw/zinc/09/51/58/517095158.db2.gz PZTYVYNSFSQKJD-UHFFFAOYSA-N 1 2 355.490 2.974 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000537265455 517116465 /nfs/dbraw/zinc/11/64/65/517116465.db2.gz LVSNDORPWBNTTR-SJORKVTESA-N 1 2 373.497 2.879 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1C#N ZINC000537563180 517231762 /nfs/dbraw/zinc/23/17/62/517231762.db2.gz VTGOORYSMYVIJM-OAHLLOKOSA-N 1 2 365.437 2.720 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1C#N ZINC000537563180 517231771 /nfs/dbraw/zinc/23/17/71/517231771.db2.gz VTGOORYSMYVIJM-OAHLLOKOSA-N 1 2 365.437 2.720 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)NCCCCn3cc[nH+]c3)CC2)cc1 ZINC000525976434 517268734 /nfs/dbraw/zinc/26/87/34/517268734.db2.gz UVCVIXWDQFEWLG-UHFFFAOYSA-N 1 2 367.453 2.788 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](CO)c1c(F)cccc1F ZINC000541958699 517311342 /nfs/dbraw/zinc/31/13/42/517311342.db2.gz RZKPVWCNDNODNM-OAHLLOKOSA-N 1 2 365.767 2.752 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000515996714 517532857 /nfs/dbraw/zinc/53/28/57/517532857.db2.gz JUWCKUNUGZOWSV-QRVBRYPASA-N 1 2 354.454 2.884 20 30 FFEDLO C=CCOCC[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000549613501 517638877 /nfs/dbraw/zinc/63/88/77/517638877.db2.gz KKUGXQDAYYLVOS-UHFFFAOYSA-N 1 2 351.248 2.664 20 30 FFEDLO C=CCOCC[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000549613501 517638888 /nfs/dbraw/zinc/63/88/88/517638888.db2.gz KKUGXQDAYYLVOS-UHFFFAOYSA-N 1 2 351.248 2.664 20 30 FFEDLO Cc1nnc([C@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)o1 ZINC000542616536 517651782 /nfs/dbraw/zinc/65/17/82/517651782.db2.gz ATYYRJSHFIQJNV-NEPJUHHUSA-N 1 2 359.455 2.919 20 30 FFEDLO N#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1cccc(Cl)c1Cl ZINC000521293541 517682417 /nfs/dbraw/zinc/68/24/17/517682417.db2.gz XHJKRBFSXGJANO-ZDUSSCGKSA-N 1 2 373.203 2.964 20 30 FFEDLO N#Cc1csc(CNc2ccc(N3CCN(C(=O)C4CC4)CC3)[nH+]c2)c1 ZINC000538593397 517682867 /nfs/dbraw/zinc/68/28/67/517682867.db2.gz JYVTWOZZBRYHEA-UHFFFAOYSA-N 1 2 367.478 2.685 20 30 FFEDLO N#CC1(CS(=O)(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCCCC1 ZINC000546592663 517743716 /nfs/dbraw/zinc/74/37/16/517743716.db2.gz ZFZMGGJOMSQSJQ-UHFFFAOYSA-N 1 2 372.494 2.825 20 30 FFEDLO Cc1cc(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)c[nH+]1 ZINC000534324077 517852975 /nfs/dbraw/zinc/85/29/75/517852975.db2.gz JSOSSNUCEGEJOU-INIZCTEOSA-N 1 2 367.428 2.922 20 30 FFEDLO Cc1n[nH]c([C@H]2CC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)n1 ZINC000516913253 517910719 /nfs/dbraw/zinc/91/07/19/517910719.db2.gz SSTSPDHOPQALMI-AWEZNQCLSA-N 1 2 350.344 2.853 20 30 FFEDLO Cc1n[nH]c([C@H]2CC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)n1 ZINC000516913253 517910731 /nfs/dbraw/zinc/91/07/31/517910731.db2.gz SSTSPDHOPQALMI-AWEZNQCLSA-N 1 2 350.344 2.853 20 30 FFEDLO Cc1nc([C@H]2CC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)n[nH]1 ZINC000516913253 517910738 /nfs/dbraw/zinc/91/07/38/517910738.db2.gz SSTSPDHOPQALMI-AWEZNQCLSA-N 1 2 350.344 2.853 20 30 FFEDLO Cc1nc([C@H]2CC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)n[nH]1 ZINC000516913253 517910749 /nfs/dbraw/zinc/91/07/49/517910749.db2.gz SSTSPDHOPQALMI-AWEZNQCLSA-N 1 2 350.344 2.853 20 30 FFEDLO COC(=O)c1ccc(Cl)c(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000546916544 517918897 /nfs/dbraw/zinc/91/88/97/517918897.db2.gz LKQAEGGRORAHMS-UHFFFAOYSA-N 1 2 370.840 2.715 20 30 FFEDLO C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546919602 517921226 /nfs/dbraw/zinc/92/12/26/517921226.db2.gz GYNNJUZOCLZMSP-HNNXBMFYSA-N 1 2 360.421 2.886 20 30 FFEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000560677226 517966861 /nfs/dbraw/zinc/96/68/61/517966861.db2.gz YYPIONCZYVEKII-UHFFFAOYSA-N 1 2 352.413 2.920 20 30 FFEDLO CC[C@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000560706669 517980626 /nfs/dbraw/zinc/98/06/26/517980626.db2.gz MGZUWDPXHOQTQQ-VQIMIIECSA-N 1 2 356.470 2.960 20 30 FFEDLO CC[C@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000560706669 517980635 /nfs/dbraw/zinc/98/06/35/517980635.db2.gz MGZUWDPXHOQTQQ-VQIMIIECSA-N 1 2 356.470 2.960 20 30 FFEDLO C[C@@](O)(C1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000517077980 518016494 /nfs/dbraw/zinc/01/64/94/518016494.db2.gz AIHLBJANXWNVFB-OAHLLOKOSA-N 1 2 357.332 2.992 20 30 FFEDLO COc1cc(OC)cc([C@H](Nc2cc(C)nc(C#N)c2)c2[nH+]ccn2C)c1 ZINC000557485521 518029979 /nfs/dbraw/zinc/02/99/79/518029979.db2.gz SUCBANJADYKFDE-IBGZPJMESA-N 1 2 363.421 2.636 20 30 FFEDLO CC[C@](C)(C#N)NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000563743745 518102749 /nfs/dbraw/zinc/10/27/49/518102749.db2.gz NEJXEIDDWBWWGU-HXUWFJFHSA-N 1 2 352.438 2.965 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCSc1ccccc1Br ZINC000566890671 518249286 /nfs/dbraw/zinc/24/92/86/518249286.db2.gz PAYGBNQBJUBWFB-OAHLLOKOSA-N 1 2 370.316 2.891 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@H](C)c2nc(C)no2)c(OC)c1 ZINC000563969550 518253949 /nfs/dbraw/zinc/25/39/49/518253949.db2.gz YQIFMFWDKACKKB-CZUORRHYSA-N 1 2 361.442 2.548 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@H](C)c2nc(C)no2)c(OC)c1 ZINC000563969550 518253955 /nfs/dbraw/zinc/25/39/55/518253955.db2.gz YQIFMFWDKACKKB-CZUORRHYSA-N 1 2 361.442 2.548 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1(C)C ZINC000584332693 518286055 /nfs/dbraw/zinc/28/60/55/518286055.db2.gz GKIVFOPIUYGABW-CQSZACIVSA-N 1 2 364.858 2.717 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000572728564 518334716 /nfs/dbraw/zinc/33/47/16/518334716.db2.gz VFTYSWDWFGTQQC-WMLDXEAASA-N 1 2 372.444 2.626 20 30 FFEDLO N#Cc1csc(CNc2nc3ccccc3n2CCCn2cc[nH+]c2)n1 ZINC000567092483 518347700 /nfs/dbraw/zinc/34/77/00/518347700.db2.gz KLUFQERRZBZBKY-UHFFFAOYSA-N 1 2 363.450 2.685 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000564271004 518374802 /nfs/dbraw/zinc/37/48/02/518374802.db2.gz LCPSNTHCNQCKLE-INIZCTEOSA-N 1 2 366.252 2.753 20 30 FFEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cc1F ZINC000584513350 518377244 /nfs/dbraw/zinc/37/72/44/518377244.db2.gz DNKSDKBXEHPXBH-UHFFFAOYSA-N 1 2 367.424 2.786 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1F ZINC000584513350 518377249 /nfs/dbraw/zinc/37/72/49/518377249.db2.gz DNKSDKBXEHPXBH-UHFFFAOYSA-N 1 2 367.424 2.786 20 30 FFEDLO Cc1cc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c(C#N)cn1 ZINC000567162061 518383605 /nfs/dbraw/zinc/38/36/05/518383605.db2.gz HHVGMCVCUBUQAL-RTBURBONSA-N 1 2 356.857 2.821 20 30 FFEDLO Cc1cc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c(C#N)cn1 ZINC000567162061 518383614 /nfs/dbraw/zinc/38/36/14/518383614.db2.gz HHVGMCVCUBUQAL-RTBURBONSA-N 1 2 356.857 2.821 20 30 FFEDLO C=CCn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000567241788 518426786 /nfs/dbraw/zinc/42/67/86/518426786.db2.gz AUUQCQVGBCVSFQ-UHFFFAOYSA-N 1 2 354.502 2.770 20 30 FFEDLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)no1 ZINC000564393544 518430745 /nfs/dbraw/zinc/43/07/45/518430745.db2.gz PFMLCYPYSIOBTA-UHFFFAOYSA-N 1 2 365.336 2.959 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CSc1cccc(Br)c1 ZINC000578993571 518471350 /nfs/dbraw/zinc/47/13/50/518471350.db2.gz XHQRHHZGZQJTGU-AWEZNQCLSA-N 1 2 356.289 2.501 20 30 FFEDLO CSC1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000584876870 518520422 /nfs/dbraw/zinc/52/04/22/518520422.db2.gz OBYKCNASDOJWRE-UHFFFAOYSA-N 1 2 358.511 2.671 20 30 FFEDLO CCOc1ccc(NC(=O)C[NH+]2CCC(CCC#N)CC2)c([N+](=O)[O-])c1 ZINC000579105389 518524203 /nfs/dbraw/zinc/52/42/03/518524203.db2.gz ALHKCUCZGSXILZ-UHFFFAOYSA-N 1 2 360.414 2.948 20 30 FFEDLO FC(F)(F)c1ccc(C#CCN2CCC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000567517237 518565839 /nfs/dbraw/zinc/56/58/39/518565839.db2.gz VQOPAQGNOSPGEJ-SFHVURJKSA-N 1 2 352.400 2.854 20 30 FFEDLO Cc1cc(C#N)cc(N2CC[NH+](CC(=O)Nc3c(C)cccc3C)CC2)n1 ZINC000586999435 518675274 /nfs/dbraw/zinc/67/52/74/518675274.db2.gz TYVDHFZBNYVZLV-UHFFFAOYSA-N 1 2 363.465 2.639 20 30 FFEDLO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c2[nH+]ccn21 ZINC000570594581 518685119 /nfs/dbraw/zinc/68/51/19/518685119.db2.gz OSCFKZHDSJVXES-CABZTGNLSA-N 1 2 370.356 2.758 20 30 FFEDLO CCN(CC)c1ccc(CNC(=O)NCc2ccc(CC#N)cc2)c[nH+]1 ZINC000567745633 518688455 /nfs/dbraw/zinc/68/84/55/518688455.db2.gz HFWQEZPUQPLWJG-UHFFFAOYSA-N 1 2 351.454 2.993 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H](C)[S@@]1=O ZINC000582328378 518699028 /nfs/dbraw/zinc/69/90/28/518699028.db2.gz WNKUROABZHTUKT-KNPMLNIMSA-N 1 2 371.510 2.590 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H](C)[S@@]1=O ZINC000582328378 518699034 /nfs/dbraw/zinc/69/90/34/518699034.db2.gz WNKUROABZHTUKT-KNPMLNIMSA-N 1 2 371.510 2.590 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)c(F)c1 ZINC000588024441 518704083 /nfs/dbraw/zinc/70/40/83/518704083.db2.gz CHSNJMHBJCWNCY-OAHLLOKOSA-N 1 2 368.412 2.526 20 30 FFEDLO N#CCCC1CC[NH+]([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000567790922 518713189 /nfs/dbraw/zinc/71/31/89/518713189.db2.gz ALKXCQUXHOXJNV-OAHLLOKOSA-N 1 2 350.260 2.991 20 30 FFEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCC(C)(C)CCC#N)CC1 ZINC000588232949 518758828 /nfs/dbraw/zinc/75/88/28/518758828.db2.gz BYIPCKHWDQAJJX-UHFFFAOYSA-N 1 2 371.485 2.526 20 30 FFEDLO COc1cc2c(cc1Cl)C[N@H+](Cc1cnc3c(C#N)cnn3c1)CC2 ZINC000567887588 518767948 /nfs/dbraw/zinc/76/79/48/518767948.db2.gz NRRSYHUSBYLDQO-UHFFFAOYSA-N 1 2 353.813 2.821 20 30 FFEDLO COc1cc2c(cc1Cl)C[N@@H+](Cc1cnc3c(C#N)cnn3c1)CC2 ZINC000567887588 518767952 /nfs/dbraw/zinc/76/79/52/518767952.db2.gz NRRSYHUSBYLDQO-UHFFFAOYSA-N 1 2 353.813 2.821 20 30 FFEDLO COc1cc(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)ccc1C#N ZINC000589344453 518985692 /nfs/dbraw/zinc/98/56/92/518985692.db2.gz NDUHVRKTNRTAGV-MRXNPFEDSA-N 1 2 360.410 2.714 20 30 FFEDLO CCCc1c(NC(=O)[C@H](C)[NH+]2CC(C)C2)cnn1-c1cccc(C#N)c1 ZINC000580091931 519004033 /nfs/dbraw/zinc/00/40/33/519004033.db2.gz RDAPKWKBYNYMSA-HNNXBMFYSA-N 1 2 351.454 2.975 20 30 FFEDLO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@@H+]1CCOCCC#N ZINC000571266598 519008886 /nfs/dbraw/zinc/00/88/86/519008886.db2.gz SMMCIHBIPYSPDX-FQEVSTJZSA-N 1 2 368.481 2.852 20 30 FFEDLO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@H+]1CCOCCC#N ZINC000571266598 519008892 /nfs/dbraw/zinc/00/88/92/519008892.db2.gz SMMCIHBIPYSPDX-FQEVSTJZSA-N 1 2 368.481 2.852 20 30 FFEDLO COC(=O)c1ccc(NCc2cc[nH+]c(N3CCCCC3)c2)c(C#N)n1 ZINC000574197497 519035496 /nfs/dbraw/zinc/03/54/96/519035496.db2.gz MJKQZJMJLMJQII-UHFFFAOYSA-N 1 2 351.410 2.737 20 30 FFEDLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1cccc(CC#N)c1 ZINC000590089660 519145928 /nfs/dbraw/zinc/14/59/28/519145928.db2.gz PVQSSFGRJFECAB-GOSISDBHSA-N 1 2 366.446 2.886 20 30 FFEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)CC2(CCOCC2)O1 ZINC000568955095 519300600 /nfs/dbraw/zinc/30/06/00/519300600.db2.gz XVTZRZVVQIOOSR-ZDUSSCGKSA-N 1 2 352.381 2.930 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC2(CCOCC2)O1 ZINC000568955095 519300606 /nfs/dbraw/zinc/30/06/06/519300606.db2.gz XVTZRZVVQIOOSR-ZDUSSCGKSA-N 1 2 352.381 2.930 20 30 FFEDLO Cc1cc(C)c(NC(=O)N2CCN(c3cnccc3C#N)CC2)c(C)[nH+]1 ZINC000590836282 519393724 /nfs/dbraw/zinc/39/37/24/519393724.db2.gz DTOZPMBJXVVFOD-UHFFFAOYSA-N 1 2 350.426 2.628 20 30 FFEDLO Cc1oncc1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000580927276 519430493 /nfs/dbraw/zinc/43/04/93/519430493.db2.gz CDMYEJAVXBUGOE-GJZGRUSLSA-N 1 2 359.361 2.787 20 30 FFEDLO Cc1oncc1C[N@H+]1C[C@@H](F)C[C@H]1CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000580927276 519430498 /nfs/dbraw/zinc/43/04/98/519430498.db2.gz CDMYEJAVXBUGOE-GJZGRUSLSA-N 1 2 359.361 2.787 20 30 FFEDLO COc1cc(Br)c(Cl)cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000583815337 519449549 /nfs/dbraw/zinc/44/95/49/519449549.db2.gz HMCYVGXSVIHUEU-AWEZNQCLSA-N 1 2 374.666 2.685 20 30 FFEDLO COC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)C ZINC000591019187 519479319 /nfs/dbraw/zinc/47/93/19/519479319.db2.gz KUIMLFARNYFOTF-OAHLLOKOSA-N 1 2 351.834 2.718 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)C1CC1 ZINC000591051417 519492097 /nfs/dbraw/zinc/49/20/97/519492097.db2.gz WIIYPLDOWRCLSS-WOJBJXKFSA-N 1 2 353.466 2.649 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)C1CC1 ZINC000591051417 519492105 /nfs/dbraw/zinc/49/21/05/519492105.db2.gz WIIYPLDOWRCLSS-WOJBJXKFSA-N 1 2 353.466 2.649 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H](C(=O)Nc3c[nH+]c4n3CCCC4)C2)c(F)c1 ZINC000572354220 519571434 /nfs/dbraw/zinc/57/14/34/519571434.db2.gz ZIFMFHUGIHLVAZ-CQSZACIVSA-N 1 2 353.401 2.695 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC(CCC#N)CC1)C1CCOCC1 ZINC000584109749 519595972 /nfs/dbraw/zinc/59/59/72/519595972.db2.gz CSIMUKDMLPBJEV-KRWDZBQOSA-N 1 2 359.474 2.613 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602859204 519931692 /nfs/dbraw/zinc/93/16/92/519931692.db2.gz XIPDOGKMVQALSM-MJBXVCDLSA-N 1 2 368.403 2.951 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602859204 519931698 /nfs/dbraw/zinc/93/16/98/519931698.db2.gz XIPDOGKMVQALSM-MJBXVCDLSA-N 1 2 368.403 2.951 20 30 FFEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602863090 519935583 /nfs/dbraw/zinc/93/55/83/519935583.db2.gz OLYKOUJBQJKQJG-MJBXVCDLSA-N 1 2 364.877 2.594 20 30 FFEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602863090 519935593 /nfs/dbraw/zinc/93/55/93/519935593.db2.gz OLYKOUJBQJKQJG-MJBXVCDLSA-N 1 2 364.877 2.594 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)C[C@H](C)N1CC#N ZINC000602864939 519935612 /nfs/dbraw/zinc/93/56/12/519935612.db2.gz RDSHPXHIQLTDDT-DAYGRLMNSA-N 1 2 362.543 2.870 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)C[C@H](C)N1CC#N ZINC000602864939 519935622 /nfs/dbraw/zinc/93/56/22/519935622.db2.gz RDSHPXHIQLTDDT-DAYGRLMNSA-N 1 2 362.543 2.870 20 30 FFEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602867397 519936944 /nfs/dbraw/zinc/93/69/44/519936944.db2.gz YGLKPJFOWRQNAT-MELADBBJSA-N 1 2 357.483 2.541 20 30 FFEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CC1(C#N)CCOCC1 ZINC000597321269 519955358 /nfs/dbraw/zinc/95/53/58/519955358.db2.gz XEVCGVPDODLLOY-UHFFFAOYSA-N 1 2 370.497 2.857 20 30 FFEDLO N#Cc1ccccc1NC1CC[NH+]([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000602893790 519955361 /nfs/dbraw/zinc/95/53/61/519955361.db2.gz HPDXARIJJBXLEO-IBGZPJMESA-N 1 2 352.413 2.800 20 30 FFEDLO CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000602936938 519981172 /nfs/dbraw/zinc/98/11/72/519981172.db2.gz HIKSRUCPHQDTRO-HZPDHXFCSA-N 1 2 352.862 2.705 20 30 FFEDLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602975726 520001249 /nfs/dbraw/zinc/00/12/49/520001249.db2.gz GLKKTGYUXORLEO-MNEFBYGVSA-N 1 2 371.481 2.991 20 30 FFEDLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602975726 520001256 /nfs/dbraw/zinc/00/12/56/520001256.db2.gz GLKKTGYUXORLEO-MNEFBYGVSA-N 1 2 371.481 2.991 20 30 FFEDLO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602974349 520001820 /nfs/dbraw/zinc/00/18/20/520001820.db2.gz MWLUNHZSTMFYGU-ZBFHGGJFSA-N 1 2 351.397 2.870 20 30 FFEDLO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602974349 520001823 /nfs/dbraw/zinc/00/18/23/520001823.db2.gz MWLUNHZSTMFYGU-ZBFHGGJFSA-N 1 2 351.397 2.870 20 30 FFEDLO C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)[C@@H]1CCC[C@H]1C#N ZINC000602976363 520003436 /nfs/dbraw/zinc/00/34/36/520003436.db2.gz OMRWAYMWCCNMJV-RCCFBDPRSA-N 1 2 369.465 2.745 20 30 FFEDLO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)[C@@H]1CCC[C@H]1C#N ZINC000602976363 520003445 /nfs/dbraw/zinc/00/34/45/520003445.db2.gz OMRWAYMWCCNMJV-RCCFBDPRSA-N 1 2 369.465 2.745 20 30 FFEDLO COc1ccc(Cl)cc1C[NH+]1CCN(Cc2ccncc2C#N)CC1 ZINC000592055112 520157337 /nfs/dbraw/zinc/15/73/37/520157337.db2.gz IMIFBBPTZWRJLF-UHFFFAOYSA-N 1 2 356.857 2.933 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000609108754 520193175 /nfs/dbraw/zinc/19/31/75/520193175.db2.gz KOCPFLOFRCOHGJ-OAQYLSRUSA-N 1 2 360.461 2.659 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000592149289 520225926 /nfs/dbraw/zinc/22/59/26/520225926.db2.gz MJMWTYFUMPWTKY-UXHICEINSA-N 1 2 359.445 2.524 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000592149289 520225927 /nfs/dbraw/zinc/22/59/27/520225927.db2.gz MJMWTYFUMPWTKY-UXHICEINSA-N 1 2 359.445 2.524 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000592149827 520226012 /nfs/dbraw/zinc/22/60/12/520226012.db2.gz XKDAVSZKTAGKFD-AWEZNQCLSA-N 1 2 361.751 2.648 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000592149827 520226020 /nfs/dbraw/zinc/22/60/20/520226020.db2.gz XKDAVSZKTAGKFD-AWEZNQCLSA-N 1 2 361.751 2.648 20 30 FFEDLO N#CCCN(CCSc1ccc(F)cc1F)CC[NH+]1CCOCC1 ZINC000595333901 520412493 /nfs/dbraw/zinc/41/24/93/520412493.db2.gz PLCDFPJAKAOZSS-UHFFFAOYSA-N 1 2 355.454 2.605 20 30 FFEDLO Cc1cc(F)ccc1N1CCC[C@H]([NH+]2CCN([C@H](C#N)C(C)C)CC2)C1=O ZINC000609767199 520425909 /nfs/dbraw/zinc/42/59/09/520425909.db2.gz IGHYYZNMAGGFPA-VQTJNVASSA-N 1 2 372.488 2.795 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000609800430 520438686 /nfs/dbraw/zinc/43/86/86/520438686.db2.gz GVHMRXHIFLEHSH-IBGZPJMESA-N 1 2 351.475 2.965 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000609800430 520438692 /nfs/dbraw/zinc/43/86/92/520438692.db2.gz GVHMRXHIFLEHSH-IBGZPJMESA-N 1 2 351.475 2.965 20 30 FFEDLO COc1ccc(C#N)cc1NC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000609844322 520453723 /nfs/dbraw/zinc/45/37/23/520453723.db2.gz BQSVSEJODXSDRD-UHFFFAOYSA-N 1 2 361.405 2.771 20 30 FFEDLO N#Cc1c(F)cccc1N1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000610026648 520512353 /nfs/dbraw/zinc/51/23/53/520512353.db2.gz RODXFSPCRFJOFM-UHFFFAOYSA-N 1 2 364.384 2.699 20 30 FFEDLO COC(=O)C[N@H+](CCOc1ccc(C#N)cc1OC)Cc1ccccc1 ZINC000610132784 520552770 /nfs/dbraw/zinc/55/27/70/520552770.db2.gz GHIDFLOAOCHMJA-UHFFFAOYSA-N 1 2 354.406 2.621 20 30 FFEDLO COC(=O)C[N@@H+](CCOc1ccc(C#N)cc1OC)Cc1ccccc1 ZINC000610132784 520552772 /nfs/dbraw/zinc/55/27/72/520552772.db2.gz GHIDFLOAOCHMJA-UHFFFAOYSA-N 1 2 354.406 2.621 20 30 FFEDLO COC1CC[NH+](Cc2cn(-c3ccc(C#N)c(C(F)(F)F)c3)nn2)CC1 ZINC000600969297 520564277 /nfs/dbraw/zinc/56/42/77/520564277.db2.gz CJXZHUIZJXVSNS-UHFFFAOYSA-N 1 2 365.359 2.769 20 30 FFEDLO N#CC[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000595609720 520590627 /nfs/dbraw/zinc/59/06/27/520590627.db2.gz OEHSPLHBPJVDOG-ZDUSSCGKSA-N 1 2 371.300 2.848 20 30 FFEDLO N#CC[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000595609720 520590631 /nfs/dbraw/zinc/59/06/31/520590631.db2.gz OEHSPLHBPJVDOG-ZDUSSCGKSA-N 1 2 371.300 2.848 20 30 FFEDLO N#Cc1cccc(COc2cccc(C[NH2+]Cc3nnnn3C3CC3)c2)c1 ZINC000610272008 520615711 /nfs/dbraw/zinc/61/57/11/520615711.db2.gz NDLQSCHZWGLMCX-UHFFFAOYSA-N 1 2 360.421 2.748 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cn1 ZINC000595725884 520673433 /nfs/dbraw/zinc/67/34/33/520673433.db2.gz JNXVZWQBLRKLQH-UHFFFAOYSA-N 1 2 374.448 2.674 20 30 FFEDLO N#Cc1cnc(NCc2ccc(C[NH+]3CCS(=O)CC3)cc2)c(Cl)c1 ZINC000601178468 520673940 /nfs/dbraw/zinc/67/39/40/520673940.db2.gz RKJQWFCKTFLGAE-UHFFFAOYSA-N 1 2 374.897 2.783 20 30 FFEDLO C[C@@H](c1cnccn1)[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595730369 520678117 /nfs/dbraw/zinc/67/81/17/520678117.db2.gz BRRIMSDVKVMPMZ-HNNXBMFYSA-N 1 2 359.437 2.622 20 30 FFEDLO COc1ccc2c(c1)CC[N@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000595759694 520704133 /nfs/dbraw/zinc/70/41/33/520704133.db2.gz NEMUNOIRNMYETE-QGZVFWFLSA-N 1 2 353.447 2.792 20 30 FFEDLO COc1ccc2c(c1)CC[N@@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000595759694 520704140 /nfs/dbraw/zinc/70/41/40/520704140.db2.gz NEMUNOIRNMYETE-QGZVFWFLSA-N 1 2 353.447 2.792 20 30 FFEDLO COc1cccc([C@@H](NC(=O)c2ccc(C#N)s2)c2[nH+]ccn2C)c1 ZINC000610519213 520725651 /nfs/dbraw/zinc/72/56/51/520725651.db2.gz DFONSLHTOYPODM-MRXNPFEDSA-N 1 2 352.419 2.881 20 30 FFEDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593119849 520759436 /nfs/dbraw/zinc/75/94/36/520759436.db2.gz ISFKDCBZKLKFIL-UHFFFAOYSA-N 1 2 366.377 2.819 20 30 FFEDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593119849 520759442 /nfs/dbraw/zinc/75/94/42/520759442.db2.gz ISFKDCBZKLKFIL-UHFFFAOYSA-N 1 2 366.377 2.819 20 30 FFEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1CO ZINC000598648302 520760455 /nfs/dbraw/zinc/76/04/55/520760455.db2.gz FRXZKSPGLYJEJZ-ZIAGYGMSSA-N 1 2 361.511 2.777 20 30 FFEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1CO ZINC000598648302 520760461 /nfs/dbraw/zinc/76/04/61/520760461.db2.gz FRXZKSPGLYJEJZ-ZIAGYGMSSA-N 1 2 361.511 2.777 20 30 FFEDLO C[C@]1(C#N)CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000595844793 520761013 /nfs/dbraw/zinc/76/10/13/520761013.db2.gz VTNYZWSHEBMKFN-DZGCQCFKSA-N 1 2 357.223 2.563 20 30 FFEDLO C[C@]1(C#N)CC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000595844793 520761018 /nfs/dbraw/zinc/76/10/18/520761018.db2.gz VTNYZWSHEBMKFN-DZGCQCFKSA-N 1 2 357.223 2.563 20 30 FFEDLO N#Cc1ccc(OCc2ccc(C(=O)N[C@H]3CCn4c[nH+]cc4C3)o2)cc1 ZINC000598947281 520935495 /nfs/dbraw/zinc/93/54/95/520935495.db2.gz LIVQXCHJIPCTLK-HNNXBMFYSA-N 1 2 362.389 2.672 20 30 FFEDLO CC(C)(NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1cccc(C#N)c1 ZINC000596152049 520939501 /nfs/dbraw/zinc/93/95/01/520939501.db2.gz VHFXFWYCSQYUQL-UHFFFAOYSA-N 1 2 351.454 2.868 20 30 FFEDLO CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000611152794 521012244 /nfs/dbraw/zinc/01/22/44/521012244.db2.gz FIKISPYQNBWAKA-PKOBYXMFSA-N 1 2 374.481 2.689 20 30 FFEDLO CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000611152794 521012247 /nfs/dbraw/zinc/01/22/47/521012247.db2.gz FIKISPYQNBWAKA-PKOBYXMFSA-N 1 2 374.481 2.689 20 30 FFEDLO CCCn1nc(C)c(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1C ZINC000611259897 521064589 /nfs/dbraw/zinc/06/45/89/521064589.db2.gz FXONJSRIRJDLNI-UHFFFAOYSA-N 1 2 368.485 2.969 20 30 FFEDLO N#Cc1c(F)cccc1C[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000602005163 521073179 /nfs/dbraw/zinc/07/31/79/521073179.db2.gz NDDVYHUUPJEPMF-UHFFFAOYSA-N 1 2 373.453 2.772 20 30 FFEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000593563142 521080399 /nfs/dbraw/zinc/08/03/99/521080399.db2.gz RWBPAJOFCXNJLE-YJBOKZPZSA-N 1 2 372.494 2.956 20 30 FFEDLO Cc1ccncc1[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000611301955 521089357 /nfs/dbraw/zinc/08/93/57/521089357.db2.gz PWHHQACWZPWOKG-QGZVFWFLSA-N 1 2 363.465 2.850 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1ccsc1C#N ZINC000593592572 521096330 /nfs/dbraw/zinc/09/63/30/521096330.db2.gz VRJKSWVWLYCQED-LBPRGKRZSA-N 1 2 350.469 2.752 20 30 FFEDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1C#N ZINC000599252519 521109252 /nfs/dbraw/zinc/10/92/52/521109252.db2.gz PZISCPYXQZYZOJ-UHFFFAOYSA-N 1 2 363.417 2.553 20 30 FFEDLO CCO[C@@H](C)c1nc(C[N@H+](C)C[C@H](O)CC2(C#N)CCOCC2)cs1 ZINC000599300267 521135611 /nfs/dbraw/zinc/13/56/11/521135611.db2.gz ORXJHAJXZJTPOJ-GOEBONIOSA-N 1 2 367.515 2.744 20 30 FFEDLO CCO[C@@H](C)c1nc(C[N@@H+](C)C[C@H](O)CC2(C#N)CCOCC2)cs1 ZINC000599300267 521135619 /nfs/dbraw/zinc/13/56/19/521135619.db2.gz ORXJHAJXZJTPOJ-GOEBONIOSA-N 1 2 367.515 2.744 20 30 FFEDLO N#CCCN(Cc1ccccn1)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602092153 521136824 /nfs/dbraw/zinc/13/68/24/521136824.db2.gz RSZPNVZOEIMRJD-AWEZNQCLSA-N 1 2 351.332 2.714 20 30 FFEDLO Cc1nc(C2([NH2+]C[C@H](O)COc3ccccc3C#N)CCCCCC2)no1 ZINC000599321332 521149832 /nfs/dbraw/zinc/14/98/32/521149832.db2.gz YSUQBEXSCAVNEL-KRWDZBQOSA-N 1 2 370.453 2.829 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CCOCC1 ZINC000599327229 521154964 /nfs/dbraw/zinc/15/49/64/521154964.db2.gz PSWHMXPXNBYQDY-OAHLLOKOSA-N 1 2 357.429 2.736 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CCOCC1 ZINC000599327229 521154973 /nfs/dbraw/zinc/15/49/73/521154973.db2.gz PSWHMXPXNBYQDY-OAHLLOKOSA-N 1 2 357.429 2.736 20 30 FFEDLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C2 ZINC000596599112 521156912 /nfs/dbraw/zinc/15/69/12/521156912.db2.gz PRUMKCPEQGKQLP-UHFFFAOYSA-N 1 2 362.437 2.926 20 30 FFEDLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C2 ZINC000596599112 521156920 /nfs/dbraw/zinc/15/69/20/521156920.db2.gz PRUMKCPEQGKQLP-UHFFFAOYSA-N 1 2 362.437 2.926 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)oc1C ZINC000611552592 521216214 /nfs/dbraw/zinc/21/62/14/521216214.db2.gz DXAKRBPSRCUIEK-LJQANCHMSA-N 1 2 371.412 2.896 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CC1(C#N)CCOCC1)c1ccc(Cl)cc1 ZINC000596682951 521216324 /nfs/dbraw/zinc/21/63/24/521216324.db2.gz GGSNKTJGLMGDSL-KRWDZBQOSA-N 1 2 372.856 2.990 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)CC1(C#N)CCOCC1)c1ccc(Cl)cc1 ZINC000596682954 521217115 /nfs/dbraw/zinc/21/71/15/521217115.db2.gz GGSNKTJGLMGDSL-QGZVFWFLSA-N 1 2 372.856 2.990 20 30 FFEDLO C=CCCSCCNC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000596721245 521243803 /nfs/dbraw/zinc/24/38/03/521243803.db2.gz FGJLLECJAXXNTC-UHFFFAOYSA-N 1 2 350.410 2.896 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(Br)cc1 ZINC000596729695 521250262 /nfs/dbraw/zinc/25/02/62/521250262.db2.gz IQJWQDPEZDYSMR-SWLSCSKDSA-N 1 2 359.227 2.589 20 30 FFEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](C#N)c1ccccc1Br)CC2 ZINC000599489256 521256182 /nfs/dbraw/zinc/25/61/82/521256182.db2.gz UGVOYFBVEGGZTB-WFASDCNBSA-N 1 2 373.254 2.898 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1C#N ZINC000596802471 521294511 /nfs/dbraw/zinc/29/45/11/521294511.db2.gz XVQLOZXJSIPSEB-LSDHHAIUSA-N 1 2 360.458 2.576 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1C#N ZINC000596802471 521294518 /nfs/dbraw/zinc/29/45/18/521294518.db2.gz XVQLOZXJSIPSEB-LSDHHAIUSA-N 1 2 360.458 2.576 20 30 FFEDLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(C(=O)CCCCC#N)CC1 ZINC000593954802 521312759 /nfs/dbraw/zinc/31/27/59/521312759.db2.gz RVIWHSFZWOQRNJ-UHFFFAOYSA-N 1 2 353.470 2.679 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602476617 521365459 /nfs/dbraw/zinc/36/54/59/521365459.db2.gz YPUGCTNLVNYSOF-GOSISDBHSA-N 1 2 350.422 2.873 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602476617 521365465 /nfs/dbraw/zinc/36/54/65/521365465.db2.gz YPUGCTNLVNYSOF-GOSISDBHSA-N 1 2 350.422 2.873 20 30 FFEDLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)[C@@H](C)CO1 ZINC000596927693 521388038 /nfs/dbraw/zinc/38/80/38/521388038.db2.gz LADGYHUVDUQHLL-GJZGRUSLSA-N 1 2 374.485 2.966 20 30 FFEDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)[C@@H](C)CO1 ZINC000596927693 521388043 /nfs/dbraw/zinc/38/80/43/521388043.db2.gz LADGYHUVDUQHLL-GJZGRUSLSA-N 1 2 374.485 2.966 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+](CCCS(=O)(=O)c1ccccc1)C2 ZINC000599677664 521393171 /nfs/dbraw/zinc/39/31/71/521393171.db2.gz BQSCVWDYVXTGHW-UHFFFAOYSA-N 1 2 354.475 2.975 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+](CCCS(=O)(=O)c1ccccc1)C2 ZINC000599677664 521393175 /nfs/dbraw/zinc/39/31/75/521393175.db2.gz BQSCVWDYVXTGHW-UHFFFAOYSA-N 1 2 354.475 2.975 20 30 FFEDLO COC(=O)C1C[C@H](C)[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000599688653 521403847 /nfs/dbraw/zinc/40/38/47/521403847.db2.gz LELZTQAJETXXGC-RYUDHWBXSA-N 1 2 363.845 2.812 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000599696566 521409395 /nfs/dbraw/zinc/40/93/95/521409395.db2.gz PIPGCYKHJGCRHT-GNXNZQSNSA-N 1 2 363.483 2.837 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000599696566 521409399 /nfs/dbraw/zinc/40/93/99/521409399.db2.gz PIPGCYKHJGCRHT-GNXNZQSNSA-N 1 2 363.483 2.837 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000619272910 521487619 /nfs/dbraw/zinc/48/76/19/521487619.db2.gz CCCCMLFAYKGAIP-OAQYLSRUSA-N 1 2 369.428 2.802 20 30 FFEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@@]2(CCOC2)O1 ZINC000619516468 521604565 /nfs/dbraw/zinc/60/45/65/521604565.db2.gz OXGRCQCIILSPAH-GOSISDBHSA-N 1 2 352.381 2.930 20 30 FFEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@@]2(CCOC2)O1 ZINC000619516468 521604571 /nfs/dbraw/zinc/60/45/71/521604571.db2.gz OXGRCQCIILSPAH-GOSISDBHSA-N 1 2 352.381 2.930 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000623166473 521816263 /nfs/dbraw/zinc/81/62/63/521816263.db2.gz LJBGJYFQPNHBFQ-IBGZPJMESA-N 1 2 371.525 2.792 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2ccc(OCC)cc2)CC1 ZINC000623166473 521816267 /nfs/dbraw/zinc/81/62/67/521816267.db2.gz LJBGJYFQPNHBFQ-IBGZPJMESA-N 1 2 371.525 2.792 20 30 FFEDLO C=CCC1(C(=O)NC[C@@]2(CO)COCC[N@@H+]2Cc2ccccc2)CCCC1 ZINC000619942668 521962101 /nfs/dbraw/zinc/96/21/01/521962101.db2.gz UFCYXYNSUDEFOP-JOCHJYFZSA-N 1 2 372.509 2.503 20 30 FFEDLO C=CCC1(C(=O)NC[C@@]2(CO)COCC[N@H+]2Cc2ccccc2)CCCC1 ZINC000619942668 521962108 /nfs/dbraw/zinc/96/21/08/521962108.db2.gz UFCYXYNSUDEFOP-JOCHJYFZSA-N 1 2 372.509 2.503 20 30 FFEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2cnn[nH]2)cc1OCC ZINC000623577423 522133097 /nfs/dbraw/zinc/13/30/97/522133097.db2.gz NTEDZTSJOCBBTJ-UHFFFAOYSA-N 1 2 367.247 2.821 20 30 FFEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCn3cc(C)[nH+]c3C2)cc1 ZINC000623659141 522198472 /nfs/dbraw/zinc/19/84/72/522198472.db2.gz QDNOBYXHZFLPKW-AWEZNQCLSA-N 1 2 353.426 2.700 20 30 FFEDLO C=CC[C@H]1CCN(C(=O)c2ccc(NCC[NH+]3CCOCC3)c(F)c2)C1 ZINC000633671774 522912332 /nfs/dbraw/zinc/91/23/32/522912332.db2.gz HCKFZDRXRNLSDH-INIZCTEOSA-N 1 2 361.461 2.608 20 30 FFEDLO C=CCCC(C)(C)CNC(=O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000636521876 523040113 /nfs/dbraw/zinc/04/01/13/523040113.db2.gz MQUOYGZBIILSRP-UHFFFAOYSA-N 1 2 372.513 2.797 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H](C)CSCc2ccccc2)c1C#N ZINC000536306359 562574136 /nfs/dbraw/zinc/57/41/36/562574136.db2.gz NYCDOZPOGAMNJK-AWEZNQCLSA-N 1 2 371.510 2.941 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2csc(Cc3ccc(C)cc3)n2)CC1 ZINC000154623515 728808552 /nfs/dbraw/zinc/80/85/52/728808552.db2.gz BVTSGLAMVGDEDG-UHFFFAOYSA-N 1 2 353.491 2.823 20 30 FFEDLO C#Cc1ccc(C[N@@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)cc1 ZINC000898455852 735362470 /nfs/dbraw/zinc/36/24/70/735362470.db2.gz CVBHFDXXULMWKG-HZPDHXFCSA-N 1 2 357.397 2.609 20 30 FFEDLO C#Cc1ccc(C[N@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)cc1 ZINC000898455852 735362473 /nfs/dbraw/zinc/36/24/73/735362473.db2.gz CVBHFDXXULMWKG-HZPDHXFCSA-N 1 2 357.397 2.609 20 30 FFEDLO CC[N@H+](C)[C@@H](C(=O)OCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000745098343 735399140 /nfs/dbraw/zinc/39/91/40/735399140.db2.gz SHAHKBZTBHUKCP-MRXNPFEDSA-N 1 2 357.435 2.794 20 30 FFEDLO CC[N@@H+](C)[C@@H](C(=O)OCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000745098343 735399143 /nfs/dbraw/zinc/39/91/43/735399143.db2.gz SHAHKBZTBHUKCP-MRXNPFEDSA-N 1 2 357.435 2.794 20 30 FFEDLO C#CC[NH+]1CCN(Cn2nc(NC3CCCCC3)sc2=S)CC1 ZINC000044756712 727991917 /nfs/dbraw/zinc/99/19/17/727991917.db2.gz HNVLAZFIARJOJZ-UHFFFAOYSA-N 1 2 351.545 2.627 20 30 FFEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000746464198 735485924 /nfs/dbraw/zinc/48/59/24/735485924.db2.gz RYBZEUFZLSJWJS-CQSZACIVSA-N 1 2 354.859 2.723 20 30 FFEDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000746464198 735485927 /nfs/dbraw/zinc/48/59/27/735485927.db2.gz RYBZEUFZLSJWJS-CQSZACIVSA-N 1 2 354.859 2.723 20 30 FFEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000125781984 728687551 /nfs/dbraw/zinc/68/75/51/728687551.db2.gz WEEYJLOWELMTSG-GJZGRUSLSA-N 1 2 350.894 2.776 20 30 FFEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000125781984 728687552 /nfs/dbraw/zinc/68/75/52/728687552.db2.gz WEEYJLOWELMTSG-GJZGRUSLSA-N 1 2 350.894 2.776 20 30 FFEDLO C=C(Br)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000126769354 728704661 /nfs/dbraw/zinc/70/46/61/728704661.db2.gz SWNIPSQRUWGFIZ-KGLIPLIRSA-N 1 2 374.229 2.918 20 30 FFEDLO C=C(Br)CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000126769354 728704662 /nfs/dbraw/zinc/70/46/62/728704662.db2.gz SWNIPSQRUWGFIZ-KGLIPLIRSA-N 1 2 374.229 2.918 20 30 FFEDLO CSC1(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CCC1 ZINC000193259609 729473315 /nfs/dbraw/zinc/47/33/15/729473315.db2.gz JGUFFHGVRUYWCE-UHFFFAOYSA-N 1 2 356.495 2.932 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000443975377 729876881 /nfs/dbraw/zinc/87/68/81/729876881.db2.gz ZUXOQERQIWTLIE-LBPRGKRZSA-N 1 2 364.858 2.513 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nnc(-c3ccccc3F)s2)nn1 ZINC000641143888 730201965 /nfs/dbraw/zinc/20/19/65/730201965.db2.gz DFNQTNWFCJAGFO-GFCCVEGCSA-N 1 2 356.430 2.658 20 30 FFEDLO CC#CC[NH2+]Cc1cn(Cc2csc(CCc3ccccc3)n2)nn1 ZINC000641176894 730203758 /nfs/dbraw/zinc/20/37/58/730203758.db2.gz BUBOKQHOVHONNY-UHFFFAOYSA-N 1 2 351.479 2.681 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(Br)c3O)CC2)cn1 ZINC000862421525 730700339 /nfs/dbraw/zinc/70/03/39/730700339.db2.gz XJUGSVPABAHYTA-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO C=CC[C@H]1CC[N@@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000862441292 730702757 /nfs/dbraw/zinc/70/27/57/730702757.db2.gz QGCMDIMPMXSNCX-UONOGXRCSA-N 1 2 357.907 2.603 20 30 FFEDLO C=CC[C@H]1CC[N@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000862441292 730702759 /nfs/dbraw/zinc/70/27/59/730702759.db2.gz QGCMDIMPMXSNCX-UONOGXRCSA-N 1 2 357.907 2.603 20 30 FFEDLO CNC(=S)NN=C1CC[N@H+](C)[C@H](c2ccc(Br)cc2)C1 ZINC000863065228 730748866 /nfs/dbraw/zinc/74/88/66/730748866.db2.gz JULQQSGIWPNTHV-ZDUSSCGKSA-N 1 2 355.305 2.666 20 30 FFEDLO CNC(=S)NN=C1CC[N@@H+](C)[C@H](c2ccc(Br)cc2)C1 ZINC000863065228 730748867 /nfs/dbraw/zinc/74/88/67/730748867.db2.gz JULQQSGIWPNTHV-ZDUSSCGKSA-N 1 2 355.305 2.666 20 30 FFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000864428468 730844735 /nfs/dbraw/zinc/84/47/35/730844735.db2.gz DSUPBMMSWPNLBS-FZMZJTMJSA-N 1 2 351.332 2.746 20 30 FFEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccsc1C#N ZINC000867679824 731212801 /nfs/dbraw/zinc/21/28/01/731212801.db2.gz NMBRNBDDZWMPNI-UHFFFAOYSA-N 1 2 351.453 2.637 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1nnc(-c2sccc2C)o1)[C@@H](C)COC ZINC000661240129 732187203 /nfs/dbraw/zinc/18/72/03/732187203.db2.gz MAXVCZUOXWFABX-LBPRGKRZSA-N 1 2 350.444 2.568 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1nnc(-c2sccc2C)o1)[C@@H](C)COC ZINC000661240129 732187208 /nfs/dbraw/zinc/18/72/08/732187208.db2.gz MAXVCZUOXWFABX-LBPRGKRZSA-N 1 2 350.444 2.568 20 30 FFEDLO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(C#N)cnc2Cl)s1 ZINC000877486015 732371117 /nfs/dbraw/zinc/37/11/17/732371117.db2.gz CHGNWBQCIJXDAM-UHFFFAOYSA-N 1 2 355.872 2.752 20 30 FFEDLO C#CCC1(O)CC[NH+](CC(=O)c2cc(C)n(-c3nccs3)c2C)CC1 ZINC000880478328 732913047 /nfs/dbraw/zinc/91/30/47/732913047.db2.gz BARDLOUYKXVRIF-UHFFFAOYSA-N 1 2 357.479 2.584 20 30 FFEDLO CC[C@@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1cccc(C#N)c1O ZINC000926905882 738666832 /nfs/dbraw/zinc/66/68/32/738666832.db2.gz PELKEZWBTWUADG-QGZVFWFLSA-N 1 2 358.463 2.951 20 30 FFEDLO C#CCCCNC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782520629 738730165 /nfs/dbraw/zinc/73/01/65/738730165.db2.gz PYHSHHRWZIIRHT-RDJZCZTQSA-N 1 2 353.388 2.952 20 30 FFEDLO C#CCCCNC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782520629 738730168 /nfs/dbraw/zinc/73/01/68/738730168.db2.gz PYHSHHRWZIIRHT-RDJZCZTQSA-N 1 2 353.388 2.952 20 30 FFEDLO C#CCCCNC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782520435 738730196 /nfs/dbraw/zinc/73/01/96/738730196.db2.gz PYHSHHRWZIIRHT-DOTOQJQBSA-N 1 2 353.388 2.952 20 30 FFEDLO C#CCCCNC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782520435 738730198 /nfs/dbraw/zinc/73/01/98/738730198.db2.gz PYHSHHRWZIIRHT-DOTOQJQBSA-N 1 2 353.388 2.952 20 30 FFEDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2C[C@H](O)CC2(C#N)CCC2)n1 ZINC000886167847 733756283 /nfs/dbraw/zinc/75/62/83/733756283.db2.gz BLQZMDWKFIFWQI-UKRRQHHQSA-N 1 2 363.483 2.902 20 30 FFEDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2C[C@H](O)CC2(C#N)CCC2)n1 ZINC000886167847 733756285 /nfs/dbraw/zinc/75/62/85/733756285.db2.gz BLQZMDWKFIFWQI-UKRRQHHQSA-N 1 2 363.483 2.902 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCc3nccc(Br)c3C2)CCC1 ZINC000886265216 733767569 /nfs/dbraw/zinc/76/75/69/733767569.db2.gz BBYWZWJNZHPTCB-GFCCVEGCSA-N 1 2 350.260 2.647 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCc3nccc(Br)c3C2)CCC1 ZINC000886265216 733767570 /nfs/dbraw/zinc/76/75/70/733767570.db2.gz BBYWZWJNZHPTCB-GFCCVEGCSA-N 1 2 350.260 2.647 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000886422246 733788545 /nfs/dbraw/zinc/78/85/45/733788545.db2.gz IYBMCQYGKYRPEP-UHFFFAOYSA-N 1 2 373.503 2.908 20 30 FFEDLO NC(=[NH+]OCc1ncn(-c2ccccc2)n1)c1ccc(Br)cc1 ZINC000782948517 738766980 /nfs/dbraw/zinc/76/69/80/738766980.db2.gz JUNOMWKYASQOFG-UHFFFAOYSA-N 1 2 372.226 2.867 20 30 FFEDLO NC(=[NH+]OCC(=O)NC1CCCCC1)c1ccc(Br)cc1 ZINC000782949234 738767054 /nfs/dbraw/zinc/76/70/54/738767054.db2.gz ROTMEGDCTMNKMH-UHFFFAOYSA-N 1 2 354.248 2.535 20 30 FFEDLO NC(=[NH+]OCc1nc(-c2ccccn2)no1)c1ccc(Br)cc1 ZINC000782948889 738767262 /nfs/dbraw/zinc/76/72/62/738767262.db2.gz NVBHIPPQURAALS-UHFFFAOYSA-N 1 2 374.198 2.731 20 30 FFEDLO COc1cc(C)nc(CO[NH+]=C(N)c2ccc(Br)cc2)c1 ZINC000782948589 738767306 /nfs/dbraw/zinc/76/73/06/738767306.db2.gz MAFWBGNEMVQFLQ-UHFFFAOYSA-N 1 2 350.216 2.998 20 30 FFEDLO C[C@H]1CCC[C@H](C)N1C(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949824 738767524 /nfs/dbraw/zinc/76/75/24/738767524.db2.gz NAESNSFEBQXLIF-RYUDHWBXSA-N 1 2 368.275 2.876 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000718978253 734377200 /nfs/dbraw/zinc/37/72/00/734377200.db2.gz BWKQAVXNZWXAGX-CYBMUJFWSA-N 1 2 351.244 2.906 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000718978253 734377203 /nfs/dbraw/zinc/37/72/03/734377203.db2.gz BWKQAVXNZWXAGX-CYBMUJFWSA-N 1 2 351.244 2.906 20 30 FFEDLO O=C1c2ccccc2S(=O)(=O)C/C1=C/c1cc(-n2cc[nH+]c2)cs1 ZINC000783701706 738828071 /nfs/dbraw/zinc/82/80/71/738828071.db2.gz YKHHCPAWBKFZML-GHXNOFRVSA-N 1 2 356.428 2.987 20 30 FFEDLO S=C1N=NC([C@H]2CCCCO2)N1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783849267 738841767 /nfs/dbraw/zinc/84/17/67/738841767.db2.gz NVXCBUBBZSXRAE-CYBMUJFWSA-N 1 2 360.468 2.938 20 30 FFEDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735307983 734939965 /nfs/dbraw/zinc/93/99/65/734939965.db2.gz BGXSIVBZJIYJRI-OAHLLOKOSA-N 1 2 351.834 2.953 20 30 FFEDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735307983 734939969 /nfs/dbraw/zinc/93/99/69/734939969.db2.gz BGXSIVBZJIYJRI-OAHLLOKOSA-N 1 2 351.834 2.953 20 30 FFEDLO CC(=NNC(=S)NCCC(C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735612078 734953161 /nfs/dbraw/zinc/95/31/61/734953161.db2.gz HLHSKVOFQXMBMT-SFHVURJKSA-N 1 2 362.543 2.774 20 30 FFEDLO CC(=NNC(=S)NCCC(C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735612078 734953165 /nfs/dbraw/zinc/95/31/65/734953165.db2.gz HLHSKVOFQXMBMT-SFHVURJKSA-N 1 2 362.543 2.774 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2cccc(F)c2C#N)c1C ZINC000742284814 735219770 /nfs/dbraw/zinc/21/97/70/735219770.db2.gz FUAHIGKFWFDRPL-UHFFFAOYSA-N 1 2 363.414 2.539 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000742944038 735263768 /nfs/dbraw/zinc/26/37/68/735263768.db2.gz HEAUMSSINWNTIV-DOMZBBRYSA-N 1 2 358.829 2.665 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000742944038 735263773 /nfs/dbraw/zinc/26/37/73/735263773.db2.gz HEAUMSSINWNTIV-DOMZBBRYSA-N 1 2 358.829 2.665 20 30 FFEDLO Clc1ccccc1Cn1cc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)cn1 ZINC000753937151 736108052 /nfs/dbraw/zinc/10/80/52/736108052.db2.gz WLFWLTDZCZLPJP-CALCHBBNSA-N 1 2 356.861 2.779 20 30 FFEDLO Cc1nc2c(s1)[C@@H]([N@H+](C)Cn1cc3c(c(C#N)c1=O)CCC3)CCC2 ZINC000766619280 737246569 /nfs/dbraw/zinc/24/65/69/737246569.db2.gz IXBICJDZZNXFEO-KRWDZBQOSA-N 1 2 354.479 2.941 20 30 FFEDLO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cn1cc3c(c(C#N)c1=O)CCC3)CCC2 ZINC000766619280 737246572 /nfs/dbraw/zinc/24/65/72/737246572.db2.gz IXBICJDZZNXFEO-KRWDZBQOSA-N 1 2 354.479 2.941 20 30 FFEDLO CC(C)(C#N)CS(=O)(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000777817348 738322941 /nfs/dbraw/zinc/32/29/41/738322941.db2.gz IMFSSQYWPTVPBD-UHFFFAOYSA-N 1 2 369.918 2.727 20 30 FFEDLO CC(C)(C#N)CS(=O)(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000777817348 738322947 /nfs/dbraw/zinc/32/29/47/738322947.db2.gz IMFSSQYWPTVPBD-UHFFFAOYSA-N 1 2 369.918 2.727 20 30 FFEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCO[C@](C)(C#N)C3)n2)C1 ZINC000929331385 738971220 /nfs/dbraw/zinc/97/12/20/738971220.db2.gz HGKYCZYPRDEPPY-SUMWQHHRSA-N 1 2 363.487 2.521 20 30 FFEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCO[C@](C)(C#N)C3)n2)C1 ZINC000929331385 738971224 /nfs/dbraw/zinc/97/12/24/738971224.db2.gz HGKYCZYPRDEPPY-SUMWQHHRSA-N 1 2 363.487 2.521 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](CC[S@](=O)C(F)(F)F)CC2)c(F)c1 ZINC000930464535 739113196 /nfs/dbraw/zinc/11/31/96/739113196.db2.gz UJEMPRBYWWDLFI-DEOSSOPVSA-N 1 2 364.364 2.809 20 30 FFEDLO C[C@](CO)([NH2+]Cc1nc(C#N)cs1)c1cccc(Br)c1 ZINC000934496626 739793205 /nfs/dbraw/zinc/79/32/05/739793205.db2.gz XMBBMZAYZSLPOE-CQSZACIVSA-N 1 2 352.257 2.775 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2nccs2)CC1(C)C ZINC000940753904 740183282 /nfs/dbraw/zinc/18/32/82/740183282.db2.gz QERXAGIOSICBSS-OWCLPIDISA-N 1 2 363.527 2.841 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2nccs2)CC1(C)C ZINC000940753904 740183287 /nfs/dbraw/zinc/18/32/87/740183287.db2.gz QERXAGIOSICBSS-OWCLPIDISA-N 1 2 363.527 2.841 20 30 FFEDLO C[C@@H](C#N)OCC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000801912370 740663131 /nfs/dbraw/zinc/66/31/31/740663131.db2.gz ONMDUXSATHPLDB-LBPRGKRZSA-N 1 2 358.305 2.557 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2c(F)cccc2F)C1 ZINC000972374962 740826659 /nfs/dbraw/zinc/82/66/59/740826659.db2.gz XJQZWBBAXJHMGA-LBTNJELSSA-N 1 2 350.409 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2c(F)cccc2F)C1 ZINC000972374962 740826662 /nfs/dbraw/zinc/82/66/62/740826662.db2.gz XJQZWBBAXJHMGA-LBTNJELSSA-N 1 2 350.409 2.589 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC000972513757 740832780 /nfs/dbraw/zinc/83/27/80/740832780.db2.gz MUUFSFUGLNADLW-SQNIBIBYSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(C)n2)C1 ZINC000972513757 740832786 /nfs/dbraw/zinc/83/27/86/740832786.db2.gz MUUFSFUGLNADLW-SQNIBIBYSA-N 1 2 363.527 2.856 20 30 FFEDLO N#Cc1cc(Br)ccc1COC(=O)CCc1ccc(N)[nH+]c1 ZINC000805515024 740980551 /nfs/dbraw/zinc/98/05/51/740980551.db2.gz QRMBVLYZWPLGEQ-UHFFFAOYSA-N 1 2 360.211 2.974 20 30 FFEDLO CC(C)Oc1ccc(Br)cc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000819461114 742393871 /nfs/dbraw/zinc/39/38/71/742393871.db2.gz KTJBKOYYHWLOIJ-AWEZNQCLSA-N 1 2 370.291 2.855 20 30 FFEDLO CC(C)Oc1ccc(Br)cc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000819461114 742393877 /nfs/dbraw/zinc/39/38/77/742393877.db2.gz KTJBKOYYHWLOIJ-AWEZNQCLSA-N 1 2 370.291 2.855 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000820012626 742454823 /nfs/dbraw/zinc/45/48/23/742454823.db2.gz HBQANGAQTMDBBS-HNNXBMFYSA-N 1 2 351.328 2.705 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc(C)sc2C)C1 ZINC001015819986 742483580 /nfs/dbraw/zinc/48/35/80/742483580.db2.gz VPJPPLALHFTCNO-BQFCYCMXSA-N 1 2 363.527 2.822 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001015819986 742483582 /nfs/dbraw/zinc/48/35/82/742483582.db2.gz VPJPPLALHFTCNO-BQFCYCMXSA-N 1 2 363.527 2.822 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001015828282 742484888 /nfs/dbraw/zinc/48/48/88/742484888.db2.gz CSULPHQYUWRNJG-ZVZYQTTQSA-N 1 2 364.873 2.717 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001015828282 742484891 /nfs/dbraw/zinc/48/48/91/742484891.db2.gz CSULPHQYUWRNJG-ZVZYQTTQSA-N 1 2 364.873 2.717 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](C/C(Cl)=C\Cl)CC2 ZINC001016836786 742496515 /nfs/dbraw/zinc/49/65/15/742496515.db2.gz ODFKBXVJPQNHGJ-CTGROYAUSA-N 1 2 359.297 2.867 20 30 FFEDLO C#C[C@H](NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000820750154 742544879 /nfs/dbraw/zinc/54/48/79/742544879.db2.gz LEEICIDQMSFMAH-DYVFJYSZSA-N 1 2 367.852 2.516 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2csc(C)n2)C1 ZINC001034219866 742915351 /nfs/dbraw/zinc/91/53/51/742915351.db2.gz PXADEVDKRRSCGP-JQHSSLGASA-N 1 2 363.527 2.903 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2csc(C)n2)C1 ZINC001034219866 742915356 /nfs/dbraw/zinc/91/53/56/742915356.db2.gz PXADEVDKRRSCGP-JQHSSLGASA-N 1 2 363.527 2.903 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2csc(CC)n2)C1 ZINC001034409278 742925225 /nfs/dbraw/zinc/92/52/25/742925225.db2.gz QSWIIABJXVQJRJ-OIISXLGYSA-N 1 2 363.527 2.767 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2csc(CC)n2)C1 ZINC001034409278 742925228 /nfs/dbraw/zinc/92/52/28/742925228.db2.gz QSWIIABJXVQJRJ-OIISXLGYSA-N 1 2 363.527 2.767 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001049739899 743484449 /nfs/dbraw/zinc/48/44/49/743484449.db2.gz SAZNMGBAWAMELV-OWYFMNJBSA-N 1 2 369.303 2.528 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001049739899 743484455 /nfs/dbraw/zinc/48/44/55/743484455.db2.gz SAZNMGBAWAMELV-OWYFMNJBSA-N 1 2 369.303 2.528 20 30 FFEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)CCO2 ZINC001053464522 744983308 /nfs/dbraw/zinc/98/33/08/744983308.db2.gz REYMNFMZSIVXFX-ZWKOTPCHSA-N 1 2 360.885 2.933 20 30 FFEDLO C#CCOc1ccccc1C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000827852971 744990439 /nfs/dbraw/zinc/99/04/39/744990439.db2.gz ZLZSETQRUDMGRN-HIFRSBDPSA-N 1 2 354.372 2.588 20 30 FFEDLO C#CCOc1ccccc1C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000827852971 744990445 /nfs/dbraw/zinc/99/04/45/744990445.db2.gz ZLZSETQRUDMGRN-HIFRSBDPSA-N 1 2 354.372 2.588 20 30 FFEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)O2 ZINC001053610252 744991346 /nfs/dbraw/zinc/99/13/46/744991346.db2.gz KMIKKITVYQNBIE-RBSFLKMASA-N 1 2 360.420 2.891 20 30 FFEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F)O2 ZINC001053618053 744992361 /nfs/dbraw/zinc/99/23/61/744992361.db2.gz NMPXZQOJHNLEBM-RRFJBIMHSA-N 1 2 358.404 2.667 20 30 FFEDLO C#C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000833230326 745779595 /nfs/dbraw/zinc/77/95/95/745779595.db2.gz BTUUCIZKTKCORD-ZFWWWQNUSA-N 1 2 358.239 2.699 20 30 FFEDLO CC(NNc1ccc(S(=O)(=O)N2CCCCC2)c[nH+]1)=C1CC1(F)F ZINC000841611521 747418894 /nfs/dbraw/zinc/41/88/94/747418894.db2.gz VYYXZNCXEFIOBT-CYBMUJFWSA-N 1 2 358.414 2.699 20 30 FFEDLO CCS(=O)(=O)c1ccc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1 ZINC000844369956 748014673 /nfs/dbraw/zinc/01/46/73/748014673.db2.gz FLISGEJCJFOFKB-IBGZPJMESA-N 1 2 358.463 2.517 20 30 FFEDLO CCS(=O)(=O)c1ccc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1 ZINC000844369956 748014680 /nfs/dbraw/zinc/01/46/80/748014680.db2.gz FLISGEJCJFOFKB-IBGZPJMESA-N 1 2 358.463 2.517 20 30 FFEDLO C=C[C@H](C)ONC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000845626989 748294848 /nfs/dbraw/zinc/29/48/48/748294848.db2.gz LLXADISPXYFMDW-VBNZEHGJSA-N 1 2 353.850 2.517 20 30 FFEDLO C=C[C@H](C)ONC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000845626989 748294850 /nfs/dbraw/zinc/29/48/50/748294850.db2.gz LLXADISPXYFMDW-VBNZEHGJSA-N 1 2 353.850 2.517 20 30 FFEDLO C#C[C@@H]1CCCN(CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)C1 ZINC000847018284 748599872 /nfs/dbraw/zinc/59/98/72/748599872.db2.gz IUTFUEGYCSPQGA-MRXNPFEDSA-N 1 2 360.527 2.659 20 30 FFEDLO CCSC1(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CC1 ZINC000853000052 749981743 /nfs/dbraw/zinc/98/17/43/749981743.db2.gz ARLCDBGTQQUPFH-UHFFFAOYSA-N 1 2 356.495 2.932 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104836807 970967976 /nfs/dbraw/zinc/96/79/76/970967976.db2.gz CHXQIASWJFVOSY-ZVZYQTTQSA-N 1 2 358.486 2.902 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2csnc2OC)C1 ZINC001112068027 971248898 /nfs/dbraw/zinc/24/88/98/971248898.db2.gz FMHLLMUEHQOZHX-VXGBXAGGSA-N 1 2 363.405 2.597 20 30 FFEDLO CCOC(=O)c1ncc(C[N@@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)s1 ZINC000896650429 971650769 /nfs/dbraw/zinc/65/07/69/971650769.db2.gz HNZSRLIPFOTMKX-CQSZACIVSA-N 1 2 371.466 2.663 20 30 FFEDLO CCOC(=O)c1ncc(C[N@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)s1 ZINC000896650429 971650774 /nfs/dbraw/zinc/65/07/74/971650774.db2.gz HNZSRLIPFOTMKX-CQSZACIVSA-N 1 2 371.466 2.663 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000193728537 971811758 /nfs/dbraw/zinc/81/17/58/971811758.db2.gz JZUIFQQMDYTCSP-CQSZACIVSA-N 1 2 353.422 2.504 20 30 FFEDLO C[C@H](ON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(C#N)cc1 ZINC000194667574 971887155 /nfs/dbraw/zinc/88/71/55/971887155.db2.gz LXORBGPXVQZZSB-OXJNMPFZSA-N 1 2 364.449 2.809 20 30 FFEDLO C[C@H](ON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(C#N)cc1 ZINC000194667574 971887162 /nfs/dbraw/zinc/88/71/62/971887162.db2.gz LXORBGPXVQZZSB-OXJNMPFZSA-N 1 2 364.449 2.809 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(OC)nn3)C[C@H]2C)CCCC1 ZINC001211492810 959252659 /nfs/dbraw/zinc/25/26/59/959252659.db2.gz LVHIJENAASQTRC-NVXWUHKLSA-N 1 2 358.486 2.558 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OC)nn3)C[C@H]2C)CCCC1 ZINC001211492810 959252674 /nfs/dbraw/zinc/25/26/74/959252674.db2.gz LVHIJENAASQTRC-NVXWUHKLSA-N 1 2 358.486 2.558 20 30 FFEDLO Cc1cccc2nc(C[N@@H+]3CCC[C@@]34CCN(CCCC#N)C4=O)cn21 ZINC001275921695 1013195562 /nfs/dbraw/zinc/19/55/62/1013195562.db2.gz ZUVFWKYWQQEQKW-FQEVSTJZSA-N 1 2 351.454 2.513 20 30 FFEDLO Cc1cccc2nc(C[N@H+]3CCC[C@@]34CCN(CCCC#N)C4=O)cn21 ZINC001275921695 1013195567 /nfs/dbraw/zinc/19/55/67/1013195567.db2.gz ZUVFWKYWQQEQKW-FQEVSTJZSA-N 1 2 351.454 2.513 20 30 FFEDLO C[Si](C)(C)C#Cc1ncccc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001174490856 1013220062 /nfs/dbraw/zinc/22/00/62/1013220062.db2.gz VWXPMVSRWGWNJJ-UHFFFAOYSA-N 1 2 369.545 2.583 20 30 FFEDLO N#Cc1c(Nc2cnn(CC[NH+]3CCOCC3)c2)cccc1C(F)(F)F ZINC001174492340 1013222071 /nfs/dbraw/zinc/22/20/71/1013222071.db2.gz BSZHMCRTPXMWRO-UHFFFAOYSA-N 1 2 365.359 2.849 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCC[C@@]23CCN(CC(F)(F)F)C3=O)cc1C#N ZINC001275965778 1013236409 /nfs/dbraw/zinc/23/64/09/1013236409.db2.gz NZBKCYKEZFTVOF-KRWDZBQOSA-N 1 2 351.372 2.996 20 30 FFEDLO Cc1ccc(C[N@H+]2CCC[C@@]23CCN(CC(F)(F)F)C3=O)cc1C#N ZINC001275965778 1013236419 /nfs/dbraw/zinc/23/64/19/1013236419.db2.gz NZBKCYKEZFTVOF-KRWDZBQOSA-N 1 2 351.372 2.996 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(F)cc2F)C1 ZINC000970569593 961735225 /nfs/dbraw/zinc/73/52/25/961735225.db2.gz BSXWBNQLPSRGNB-FMEYXAORSA-N 1 2 364.436 2.883 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1n[nH]c2ccc(OC)cc12 ZINC001276067843 1013395885 /nfs/dbraw/zinc/39/58/85/1013395885.db2.gz RLCYMQJULOMFLG-FQEVSTJZSA-N 1 2 354.454 2.715 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1n[nH]c2ccc(OC)cc12 ZINC001276067843 1013395894 /nfs/dbraw/zinc/39/58/94/1013395894.db2.gz RLCYMQJULOMFLG-FQEVSTJZSA-N 1 2 354.454 2.715 20 30 FFEDLO C[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21)n1cccc1 ZINC001075695106 964159085 /nfs/dbraw/zinc/15/90/85/964159085.db2.gz PUFGMMAQMIWLEV-RIFZZMRRSA-N 1 2 366.440 2.793 20 30 FFEDLO C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21)n1cccc1 ZINC001075695106 964159090 /nfs/dbraw/zinc/15/90/90/964159090.db2.gz PUFGMMAQMIWLEV-RIFZZMRRSA-N 1 2 366.440 2.793 20 30 FFEDLO CC(C)n1nccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095467783 1013486698 /nfs/dbraw/zinc/48/66/98/1013486698.db2.gz ZKLGGNDQWUKPMV-QYZOEREBSA-N 1 2 363.465 2.871 20 30 FFEDLO CC(C)n1nccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095467783 1013486706 /nfs/dbraw/zinc/48/67/06/1013486706.db2.gz ZKLGGNDQWUKPMV-QYZOEREBSA-N 1 2 363.465 2.871 20 30 FFEDLO O=C(CCS)N1CC[C@]2(CCC[C@H]2C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001269872270 964399553 /nfs/dbraw/zinc/39/95/53/964399553.db2.gz HBTHYOUYYWLAIB-IFXJQAMLSA-N 1 2 372.494 2.612 20 30 FFEDLO C=CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)[C@@H](C)COC ZINC000664555012 964661289 /nfs/dbraw/zinc/66/12/89/964661289.db2.gz MZSJEJMLXAWGTM-VHSSKADRSA-N 1 2 367.440 2.943 20 30 FFEDLO C=CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)[C@@H](C)COC ZINC000664555012 964661295 /nfs/dbraw/zinc/66/12/95/964661295.db2.gz MZSJEJMLXAWGTM-VHSSKADRSA-N 1 2 367.440 2.943 20 30 FFEDLO CCCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001270238000 964836651 /nfs/dbraw/zinc/83/66/51/964836651.db2.gz IUMIHOFAFIWGFB-HDICACEKSA-N 1 2 351.535 2.891 20 30 FFEDLO CCCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001270238000 964836655 /nfs/dbraw/zinc/83/66/55/964836655.db2.gz IUMIHOFAFIWGFB-HDICACEKSA-N 1 2 351.535 2.891 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000664702722 964996039 /nfs/dbraw/zinc/99/60/39/964996039.db2.gz YUFRAMSRMNXEEK-DEYYWGMASA-N 1 2 367.440 2.990 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000664702722 964996051 /nfs/dbraw/zinc/99/60/51/964996051.db2.gz YUFRAMSRMNXEEK-DEYYWGMASA-N 1 2 367.440 2.990 20 30 FFEDLO C=CCN1CC[C@]2(CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1=O ZINC001270757659 965882305 /nfs/dbraw/zinc/88/23/05/965882305.db2.gz LNHKOFPARNLXFD-HXUWFJFHSA-N 1 2 352.438 2.594 20 30 FFEDLO Cc1cccc2c1CC[N@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3c(=O)[nH]1)C2 ZINC000729480214 966014764 /nfs/dbraw/zinc/01/47/64/966014764.db2.gz OYNBUBMIEUJUOL-GOSISDBHSA-N 1 2 372.428 2.878 20 30 FFEDLO Cc1cccc2c1CC[N@@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3c(=O)[nH]1)C2 ZINC000729480214 966014774 /nfs/dbraw/zinc/01/47/74/966014774.db2.gz OYNBUBMIEUJUOL-GOSISDBHSA-N 1 2 372.428 2.878 20 30 FFEDLO N#Cc1cnc2cc(Br)ccc2c1NCc1cc[nH+]c(N)c1 ZINC001167616262 966973735 /nfs/dbraw/zinc/97/37/35/966973735.db2.gz CFPOKQJTYUCWLW-UHFFFAOYSA-N 1 2 354.211 2.880 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)CC(C)(C)C ZINC001211866627 967396642 /nfs/dbraw/zinc/39/66/42/967396642.db2.gz BDNGJXLFHQGCED-QZTJIDSGSA-N 1 2 362.901 2.943 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)CC(C)(C)C ZINC001211866627 967396647 /nfs/dbraw/zinc/39/66/47/967396647.db2.gz BDNGJXLFHQGCED-QZTJIDSGSA-N 1 2 362.901 2.943 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccn[nH]2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087507806 967452867 /nfs/dbraw/zinc/45/28/67/967452867.db2.gz NQEFHKNTSPZYIQ-FUHWJXTLSA-N 1 2 356.857 2.698 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccn[nH]2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087507806 967452872 /nfs/dbraw/zinc/45/28/72/967452872.db2.gz NQEFHKNTSPZYIQ-FUHWJXTLSA-N 1 2 356.857 2.698 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3csc([C@@H](C)OC)n3)[C@@H]2C1 ZINC001075792225 967472585 /nfs/dbraw/zinc/47/25/85/967472585.db2.gz HSUPPFTVTYZJKI-MBNYWOFBSA-N 1 2 355.891 2.749 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3csc([C@@H](C)OC)n3)[C@@H]2C1 ZINC001075792225 967472593 /nfs/dbraw/zinc/47/25/93/967472593.db2.gz HSUPPFTVTYZJKI-MBNYWOFBSA-N 1 2 355.891 2.749 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001211580239 967482275 /nfs/dbraw/zinc/48/22/75/967482275.db2.gz HBEOHOOQRFDAHS-RBUKOAKNSA-N 1 2 366.465 2.656 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000156941076 967581028 /nfs/dbraw/zinc/58/10/28/967581028.db2.gz GVEJPOWSHUKUJS-UHFFFAOYSA-N 1 2 358.486 2.989 20 30 FFEDLO N#Cc1cc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)ccc1F ZINC001176616353 1013737280 /nfs/dbraw/zinc/73/72/80/1013737280.db2.gz VZIGFQIGFSPKQS-UHFFFAOYSA-N 1 2 352.413 2.962 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)c3noc(C)n3)C2)cc1 ZINC001104476599 967659528 /nfs/dbraw/zinc/65/95/28/967659528.db2.gz DZBQHPGHRUOZHO-SPYBWZPUSA-N 1 2 366.465 2.808 20 30 FFEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000161881317 967717695 /nfs/dbraw/zinc/71/76/95/967717695.db2.gz PKYPHIGKYUDWPR-UHFFFAOYSA-N 1 2 352.394 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001075805336 967783016 /nfs/dbraw/zinc/78/30/16/967783016.db2.gz VSAKCSJURUNTGD-MLHJIOFPSA-N 1 2 373.497 2.812 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001075805336 967783021 /nfs/dbraw/zinc/78/30/21/967783021.db2.gz VSAKCSJURUNTGD-MLHJIOFPSA-N 1 2 373.497 2.812 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2noc(CC)n2)C1 ZINC001104494038 967913586 /nfs/dbraw/zinc/91/35/86/967913586.db2.gz XHDBZCUJMHIAKJ-IAGOWNOFSA-N 1 2 360.502 2.790 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ncccc2O)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001087552080 968083623 /nfs/dbraw/zinc/08/36/23/968083623.db2.gz KXIJPAMWMODMNB-DLBZAZTESA-N 1 2 368.412 2.581 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ncccc2O)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001087552080 968083636 /nfs/dbraw/zinc/08/36/36/968083636.db2.gz KXIJPAMWMODMNB-DLBZAZTESA-N 1 2 368.412 2.581 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2c(C)ccn2C)[C@H]1CC ZINC001087552711 968088666 /nfs/dbraw/zinc/08/86/66/968088666.db2.gz UXVLHMUZTVYOOL-UONOGXRCSA-N 1 2 354.292 2.825 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2c(C)ccn2C)[C@H]1CC ZINC001087552711 968088672 /nfs/dbraw/zinc/08/86/72/968088672.db2.gz UXVLHMUZTVYOOL-UONOGXRCSA-N 1 2 354.292 2.825 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCOCC2)[C@H]1CC ZINC001087557715 968128044 /nfs/dbraw/zinc/12/80/44/968128044.db2.gz VTZQLSUAEBFPJT-QLFBSQMISA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCOCC2)[C@H]1CC ZINC001087557715 968128049 /nfs/dbraw/zinc/12/80/49/968128049.db2.gz VTZQLSUAEBFPJT-QLFBSQMISA-N 1 2 359.308 2.681 20 30 FFEDLO CC(C)C[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](NCC#N)C1)n1cc[nH+]c1 ZINC001211622522 968135092 /nfs/dbraw/zinc/13/50/92/968135092.db2.gz RYCWTXRGDOLNDA-XUVXKRRUSA-N 1 2 365.481 2.578 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2C(F)(F)F)[C@H]1CC ZINC001087639283 968473729 /nfs/dbraw/zinc/47/37/29/968473729.db2.gz OGLPVACNFLPNCG-NWDGAFQWSA-N 1 2 364.799 2.774 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2C(F)(F)F)[C@H]1CC ZINC001087639283 968473737 /nfs/dbraw/zinc/47/37/37/968473737.db2.gz OGLPVACNFLPNCG-NWDGAFQWSA-N 1 2 364.799 2.774 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2csc(-c3ncc[nH]3)n2)[C@H]1CC ZINC001087665003 968545174 /nfs/dbraw/zinc/54/51/74/968545174.db2.gz QTZWAZLJEMLMLM-WCQYABFASA-N 1 2 365.890 2.868 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2csc(-c3ncc[nH]3)n2)[C@H]1CC ZINC001087665003 968545182 /nfs/dbraw/zinc/54/51/82/968545182.db2.gz QTZWAZLJEMLMLM-WCQYABFASA-N 1 2 365.890 2.868 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccn(C(C)C)n2)[C@H]1CC ZINC001087747152 968872310 /nfs/dbraw/zinc/87/23/10/968872310.db2.gz KXKLZOAVYFDGNV-DZGCQCFKSA-N 1 2 369.307 2.955 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C(C)C)n2)[C@H]1CC ZINC001087747152 968872318 /nfs/dbraw/zinc/87/23/18/968872318.db2.gz KXKLZOAVYFDGNV-DZGCQCFKSA-N 1 2 369.307 2.955 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncc(C)o2)[C@@H]1CC ZINC001087755446 968883752 /nfs/dbraw/zinc/88/37/52/968883752.db2.gz PKHJUPRPBINCDR-BMFAXAFESA-N 1 2 361.486 2.823 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)o2)[C@@H]1CC ZINC001087755446 968883764 /nfs/dbraw/zinc/88/37/64/968883764.db2.gz PKHJUPRPBINCDR-BMFAXAFESA-N 1 2 361.486 2.823 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncc(C)cn2)[C@@H]1CC ZINC001087755348 968884410 /nfs/dbraw/zinc/88/44/10/968884410.db2.gz KABRBLVSRBPMRO-GNBUJSLZSA-N 1 2 372.513 2.625 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)cn2)[C@@H]1CC ZINC001087755348 968884415 /nfs/dbraw/zinc/88/44/15/968884415.db2.gz KABRBLVSRBPMRO-GNBUJSLZSA-N 1 2 372.513 2.625 20 30 FFEDLO C=C1CCC(C(=O)N(C)[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000984343164 968972865 /nfs/dbraw/zinc/97/28/65/968972865.db2.gz JYSKEECEQAHSDU-RCCFBDPRSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C1CCC(C(=O)N(C)[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000984343164 968972873 /nfs/dbraw/zinc/97/28/73/968972873.db2.gz JYSKEECEQAHSDU-RCCFBDPRSA-N 1 2 370.497 2.709 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCc2ccc(-n3cccn3)cc2)cc1OC ZINC000065948620 969177510 /nfs/dbraw/zinc/17/75/10/969177510.db2.gz MSQZFCDOQARPCD-UHFFFAOYSA-N 1 2 366.421 2.921 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C(C)(C)C)[C@H]2CC)c1 ZINC001087806181 970328444 /nfs/dbraw/zinc/32/84/44/970328444.db2.gz RHXDFLBVEOCMAK-ZWKOTPCHSA-N 1 2 355.482 2.622 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C(C)(C)C)[C@H]2CC)c1 ZINC001087806181 970328450 /nfs/dbraw/zinc/32/84/50/970328450.db2.gz RHXDFLBVEOCMAK-ZWKOTPCHSA-N 1 2 355.482 2.622 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCc2cn3ccccc3c2C#N)cc1OC ZINC000177573371 970581562 /nfs/dbraw/zinc/58/15/62/970581562.db2.gz OBHOMILCDVBVDP-UHFFFAOYSA-N 1 2 364.405 2.860 20 30 FFEDLO Cc1noc2ncc(C[NH+]3CCN(c4ccc(F)cc4C#N)CC3)cc12 ZINC000895461960 970644450 /nfs/dbraw/zinc/64/44/50/970644450.db2.gz QZXGULDDTKANLA-UHFFFAOYSA-N 1 2 351.385 2.864 20 30 FFEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC001271368688 972632285 /nfs/dbraw/zinc/63/22/85/972632285.db2.gz VIQLIZDOARSKIN-VQTJNVASSA-N 1 2 350.462 2.682 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C(C)C)CC[C@@H]2C1 ZINC001088093428 972731686 /nfs/dbraw/zinc/73/16/86/972731686.db2.gz WOKSSCPXLOIYGK-UWVAXJGDSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C(C)C)CC[C@@H]2C1 ZINC001088093428 972731695 /nfs/dbraw/zinc/73/16/95/972731695.db2.gz WOKSSCPXLOIYGK-UWVAXJGDSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](Cc4nc(C5CCC5)no4)CC[C@@H]3C2)C1 ZINC001088098253 972771978 /nfs/dbraw/zinc/77/19/78/972771978.db2.gz BAZKTEOPWQHZHI-SJORKVTESA-N 1 2 370.497 2.974 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](Cc4nc(C5CCC5)no4)CC[C@@H]3C2)C1 ZINC001088098253 972771984 /nfs/dbraw/zinc/77/19/84/972771984.db2.gz BAZKTEOPWQHZHI-SJORKVTESA-N 1 2 370.497 2.974 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC000960929138 1014110318 /nfs/dbraw/zinc/11/03/18/1014110318.db2.gz WETNZDWHWADHIW-LNLFQRSKSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc(C)c(C)o1 ZINC000960929138 1014110320 /nfs/dbraw/zinc/11/03/20/1014110320.db2.gz WETNZDWHWADHIW-LNLFQRSKSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC001027586008 974931237 /nfs/dbraw/zinc/93/12/37/974931237.db2.gz UYSXNMPSMCMRQH-ZACQAIPSSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC001027586008 974931240 /nfs/dbraw/zinc/93/12/40/974931240.db2.gz UYSXNMPSMCMRQH-ZACQAIPSSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2cncnc2)C1 ZINC001087426695 975392683 /nfs/dbraw/zinc/39/26/83/975392683.db2.gz QFTJBMFDNRXBCZ-RTBURBONSA-N 1 2 370.884 2.746 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2cncnc2)C1 ZINC001087426695 975392693 /nfs/dbraw/zinc/39/26/93/975392693.db2.gz QFTJBMFDNRXBCZ-RTBURBONSA-N 1 2 370.884 2.746 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)c(F)c2)CC1 ZINC000981190048 976327212 /nfs/dbraw/zinc/32/72/12/976327212.db2.gz NPWMDGDIWJNGSY-APWZRJJASA-N 1 2 364.436 2.980 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)c(F)c2)CC1 ZINC000981190048 976327227 /nfs/dbraw/zinc/32/72/27/976327227.db2.gz NPWMDGDIWJNGSY-APWZRJJASA-N 1 2 364.436 2.980 20 30 FFEDLO CC[C@@H](OC)C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075606242 977022028 /nfs/dbraw/zinc/02/20/28/977022028.db2.gz IWWJDLVKVZIFRW-QXAKKESOSA-N 1 2 360.885 2.649 20 30 FFEDLO CC[C@@H](OC)C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075606242 977022039 /nfs/dbraw/zinc/02/20/39/977022039.db2.gz IWWJDLVKVZIFRW-QXAKKESOSA-N 1 2 360.885 2.649 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)nn1 ZINC000653574178 1014379914 /nfs/dbraw/zinc/37/99/14/1014379914.db2.gz IWWKHHONMVULIQ-UHFFFAOYSA-N 1 2 354.458 2.640 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CC[N@H+](C)Cc1cc(F)ccc1F ZINC001268252423 977297270 /nfs/dbraw/zinc/29/72/70/977297270.db2.gz BBGZKCBINSAXEC-WMZOPIPTSA-N 1 2 352.425 2.836 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CC[N@@H+](C)Cc1cc(F)ccc1F ZINC001268252423 977297275 /nfs/dbraw/zinc/29/72/75/977297275.db2.gz BBGZKCBINSAXEC-WMZOPIPTSA-N 1 2 352.425 2.836 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ocnc2CC)C1 ZINC001087458079 977917643 /nfs/dbraw/zinc/91/76/43/977917643.db2.gz ICKAKZGUGQAHSI-IEBWSBKVSA-N 1 2 369.440 2.987 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ocnc2CC)C1 ZINC001087458079 977917647 /nfs/dbraw/zinc/91/76/47/977917647.db2.gz ICKAKZGUGQAHSI-IEBWSBKVSA-N 1 2 369.440 2.987 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2coc(CCC)n2)C1 ZINC001087459610 977981790 /nfs/dbraw/zinc/98/17/90/977981790.db2.gz NRKZAEZAJYIZOM-QZTJIDSGSA-N 1 2 369.440 2.987 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2coc(CCC)n2)C1 ZINC001087459610 977981802 /nfs/dbraw/zinc/98/18/02/977981802.db2.gz NRKZAEZAJYIZOM-QZTJIDSGSA-N 1 2 369.440 2.987 20 30 FFEDLO Cc1cccnc1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001075660997 978160278 /nfs/dbraw/zinc/16/02/78/978160278.db2.gz SKWJFCRQMLZCRY-QFBILLFUSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cccnc1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001075660997 978160281 /nfs/dbraw/zinc/16/02/81/978160281.db2.gz SKWJFCRQMLZCRY-QFBILLFUSA-N 1 2 364.424 2.747 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Oc3ccc(OC)cc3)[C@@H]2C1 ZINC001076108299 979123595 /nfs/dbraw/zinc/12/35/95/979123595.db2.gz JBBKDNOXUJCFJU-RVKKMQEKSA-N 1 2 364.873 2.748 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Oc3ccc(OC)cc3)[C@@H]2C1 ZINC001076108299 979123599 /nfs/dbraw/zinc/12/35/99/979123599.db2.gz JBBKDNOXUJCFJU-RVKKMQEKSA-N 1 2 364.873 2.748 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)c3ncoc3C3CC3)[C@@H]2C1 ZINC001076429456 979487530 /nfs/dbraw/zinc/48/75/30/979487530.db2.gz RHXWECNORNJBOE-ZWKOTPCHSA-N 1 2 362.433 2.770 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3ncoc3C3CC3)[C@@H]2C1 ZINC001076429456 979487535 /nfs/dbraw/zinc/48/75/35/979487535.db2.gz RHXWECNORNJBOE-ZWKOTPCHSA-N 1 2 362.433 2.770 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(=O)Nc3cccc(OC)c3)[C@@H]2C)C1 ZINC001088844144 979618962 /nfs/dbraw/zinc/61/89/62/979618962.db2.gz DTQLSCPWBRJSPA-QAPCUYQASA-N 1 2 371.481 2.569 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(=O)Nc3cccc(OC)c3)[C@@H]2C)C1 ZINC001088844144 979618965 /nfs/dbraw/zinc/61/89/65/979618965.db2.gz DTQLSCPWBRJSPA-QAPCUYQASA-N 1 2 371.481 2.569 20 30 FFEDLO CCc1ncc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)s1 ZINC001076626193 979728427 /nfs/dbraw/zinc/72/84/27/979728427.db2.gz VYKRLPKVSYKQSJ-DLBZAZTESA-N 1 2 366.490 2.924 20 30 FFEDLO CCc1ncc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)s1 ZINC001076626193 979728431 /nfs/dbraw/zinc/72/84/31/979728431.db2.gz VYKRLPKVSYKQSJ-DLBZAZTESA-N 1 2 366.490 2.924 20 30 FFEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)cn1 ZINC001088467416 979739666 /nfs/dbraw/zinc/73/96/66/979739666.db2.gz HKFBEQXOJJVJES-KUHUBIRLSA-N 1 2 352.413 2.794 20 30 FFEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)cn1 ZINC001088467416 979739670 /nfs/dbraw/zinc/73/96/70/979739670.db2.gz HKFBEQXOJJVJES-KUHUBIRLSA-N 1 2 352.413 2.794 20 30 FFEDLO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1cc(C#N)cnc1Cl ZINC000877600715 1014640126 /nfs/dbraw/zinc/64/01/26/1014640126.db2.gz RJFWPJLUBZCDHP-UHFFFAOYSA-N 1 2 368.824 2.725 20 30 FFEDLO C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1cc(C#N)cnc1Cl ZINC000877600715 1014640133 /nfs/dbraw/zinc/64/01/33/1014640133.db2.gz RJFWPJLUBZCDHP-UHFFFAOYSA-N 1 2 368.824 2.725 20 30 FFEDLO N#Cc1ccc(Oc2nc(N[C@@H]3CCC[N@@H+](C4COC4)C3)ncc2F)cc1 ZINC001168369670 980272083 /nfs/dbraw/zinc/27/20/83/980272083.db2.gz GYUIPYIHWBQONQ-CQSZACIVSA-N 1 2 369.400 2.555 20 30 FFEDLO N#Cc1ccc(Oc2nc(N[C@@H]3CCC[N@H+](C4COC4)C3)ncc2F)cc1 ZINC001168369670 980272091 /nfs/dbraw/zinc/27/20/91/980272091.db2.gz GYUIPYIHWBQONQ-CQSZACIVSA-N 1 2 369.400 2.555 20 30 FFEDLO C=C[C@H](C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC001168202105 981059916 /nfs/dbraw/zinc/05/99/16/981059916.db2.gz CEGXFZAXVPXSJE-YADHBBJMSA-N 1 2 363.505 2.889 20 30 FFEDLO C=C[C@H](C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001168202105 981059919 /nfs/dbraw/zinc/05/99/19/981059919.db2.gz CEGXFZAXVPXSJE-YADHBBJMSA-N 1 2 363.505 2.889 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001482634954 981257538 /nfs/dbraw/zinc/25/75/38/981257538.db2.gz OMFVMIGZOOIFQC-HKUYNNGSSA-N 1 2 359.445 2.569 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001482634954 981257543 /nfs/dbraw/zinc/25/75/43/981257543.db2.gz OMFVMIGZOOIFQC-HKUYNNGSSA-N 1 2 359.445 2.569 20 30 FFEDLO C=CCn1cc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)nn1 ZINC000907817033 981302690 /nfs/dbraw/zinc/30/26/90/981302690.db2.gz ZILOREUFDKFIBD-CQSZACIVSA-N 1 2 354.458 2.522 20 30 FFEDLO C=CCn1cc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)nn1 ZINC000907817033 981302692 /nfs/dbraw/zinc/30/26/92/981302692.db2.gz ZILOREUFDKFIBD-CQSZACIVSA-N 1 2 354.458 2.522 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2[nH]ccc2C2CC2)[C@H]1C ZINC001088612972 981519269 /nfs/dbraw/zinc/51/92/69/981519269.db2.gz PHLZTHAXSOSOLO-RISCZKNCSA-N 1 2 352.276 2.993 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2[nH]ccc2C2CC2)[C@H]1C ZINC001088612972 981519276 /nfs/dbraw/zinc/51/92/76/981519276.db2.gz PHLZTHAXSOSOLO-RISCZKNCSA-N 1 2 352.276 2.993 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnc(C3CC3)o2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088629334 982019291 /nfs/dbraw/zinc/01/92/91/982019291.db2.gz RWRCDNPSLNFCLI-KDOFPFPSSA-N 1 2 367.424 2.935 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnc(C3CC3)o2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088629334 982019301 /nfs/dbraw/zinc/01/93/01/982019301.db2.gz RWRCDNPSLNFCLI-KDOFPFPSSA-N 1 2 367.424 2.935 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088663864 982240539 /nfs/dbraw/zinc/24/05/39/982240539.db2.gz ZGZOXHQBDSBULY-KDOFPFPSSA-N 1 2 359.433 2.827 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)CC[N@H+]1Cc1ccccc1C#N ZINC001088663864 982240547 /nfs/dbraw/zinc/24/05/47/982240547.db2.gz ZGZOXHQBDSBULY-KDOFPFPSSA-N 1 2 359.433 2.827 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C)C1 ZINC000989788549 982859589 /nfs/dbraw/zinc/85/95/89/982859589.db2.gz BRXRDAWBMCHOIZ-HIFRSBDPSA-N 1 2 352.438 2.638 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H]3CCC4(CCOCC4)CO3)CCO2)c1 ZINC000878322244 1014985602 /nfs/dbraw/zinc/98/56/02/1014985602.db2.gz HOQKSBQMNHUDQP-WOJBJXKFSA-N 1 2 356.466 2.907 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H]3CCC4(CCOCC4)CO3)CCO2)c1 ZINC000878322244 1014985610 /nfs/dbraw/zinc/98/56/10/1014985610.db2.gz HOQKSBQMNHUDQP-WOJBJXKFSA-N 1 2 356.466 2.907 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C2Cc3ccccc3C2)CC1=O ZINC000185556120 983921349 /nfs/dbraw/zinc/92/13/49/983921349.db2.gz DUTCGJXWWHMAJE-UHFFFAOYSA-N 1 2 358.445 2.814 20 30 FFEDLO COc1cccc(NC(=S)N[NH+]=Cc2ccccc2N2CCOCC2)c1 ZINC000912784865 984118328 /nfs/dbraw/zinc/11/83/28/984118328.db2.gz BZAZDJXEPPVWPQ-UHFFFAOYSA-N 1 2 370.478 2.852 20 30 FFEDLO CC(=O)[C@](C#N)(CC[NH+]1CCN(c2ccc(F)cn2)CC1)c1ccccc1 ZINC000878373665 1015012244 /nfs/dbraw/zinc/01/22/44/1015012244.db2.gz NDRSMICWOMLSFP-OAQYLSRUSA-N 1 2 366.440 2.783 20 30 FFEDLO N#C[C@]1(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)CC2CCC1CC2 ZINC000913481231 984274519 /nfs/dbraw/zinc/27/45/19/984274519.db2.gz UJUFEICVLOOSRE-QYGXFBIXSA-N 1 2 353.466 2.756 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nsc3ccccc23)C[C@H]1OC ZINC001212148713 984355665 /nfs/dbraw/zinc/35/56/65/984355665.db2.gz PUBQNQAJDHZMRL-QZTJIDSGSA-N 1 2 371.506 2.805 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2nsc3ccccc23)C[C@H]1OC ZINC001212148713 984355674 /nfs/dbraw/zinc/35/56/74/984355674.db2.gz PUBQNQAJDHZMRL-QZTJIDSGSA-N 1 2 371.506 2.805 20 30 FFEDLO C=C(Cl)C[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001127904761 985205919 /nfs/dbraw/zinc/20/59/19/985205919.db2.gz UFMWMMZHXBIPAI-HYVNUMGLSA-N 1 2 363.889 2.950 20 30 FFEDLO Cc1cc(Br)cn2cc(CCNC(=O)c3coc(C#N)c3)[nH+]c12 ZINC001127963655 985412366 /nfs/dbraw/zinc/41/23/66/985412366.db2.gz UUSBGILACKKOHS-UHFFFAOYSA-N 1 2 373.210 2.842 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)[C@@H]1C ZINC001088914358 985439053 /nfs/dbraw/zinc/43/90/53/985439053.db2.gz XTMGVKTYDUDYRQ-VKZRIFJHSA-N 1 2 363.889 2.795 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)[C@@H]1C ZINC001088914358 985439055 /nfs/dbraw/zinc/43/90/55/985439055.db2.gz XTMGVKTYDUDYRQ-VKZRIFJHSA-N 1 2 363.889 2.795 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)c(C)o1 ZINC001088915209 985448071 /nfs/dbraw/zinc/44/80/71/985448071.db2.gz PAEGMVQFLWHHQP-DYVFJYSZSA-N 1 2 352.438 2.810 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)c(C)o1 ZINC001088915209 985448075 /nfs/dbraw/zinc/44/80/75/985448075.db2.gz PAEGMVQFLWHHQP-DYVFJYSZSA-N 1 2 352.438 2.810 20 30 FFEDLO CC(=O)[C@](C#N)(CC[NH+]1CCN(c2cnccc2C#N)CC1)c1ccccc1 ZINC000878641962 1015147614 /nfs/dbraw/zinc/14/76/14/1015147614.db2.gz JIZKDCMPUSUZHV-JOCHJYFZSA-N 1 2 373.460 2.516 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H](C)c2cccnc2)[C@H]1C ZINC001088987461 985769497 /nfs/dbraw/zinc/76/94/97/985769497.db2.gz CTVBAUPTDYCGON-NFAWXSAZSA-N 1 2 352.276 2.673 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2cccnc2)[C@H]1C ZINC001088987461 985769502 /nfs/dbraw/zinc/76/95/02/985769502.db2.gz CTVBAUPTDYCGON-NFAWXSAZSA-N 1 2 352.276 2.673 20 30 FFEDLO CO[C@@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])C(C)(C)C ZINC000174037326 986064150 /nfs/dbraw/zinc/06/41/50/986064150.db2.gz LSQMCSZTJHZHEK-INIZCTEOSA-N 1 2 356.470 2.707 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C[C@H]2CCCOC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001089044846 986093364 /nfs/dbraw/zinc/09/33/64/986093364.db2.gz QDYWVMNYOGUFPP-CLCXKQKWSA-N 1 2 359.445 2.593 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C[C@H]2CCCOC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001089044846 986093376 /nfs/dbraw/zinc/09/33/76/986093376.db2.gz QDYWVMNYOGUFPP-CLCXKQKWSA-N 1 2 359.445 2.593 20 30 FFEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)Cc3ccc(C#N)cc3)CC2)cc1 ZINC000174186005 986125693 /nfs/dbraw/zinc/12/56/93/986125693.db2.gz KDTJOJGZZWIRAK-UHFFFAOYSA-N 1 2 362.477 2.952 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001007359603 1015194022 /nfs/dbraw/zinc/19/40/22/1015194022.db2.gz FUBFEQJWUQLNLY-NSHGMRRFSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001007359603 1015194028 /nfs/dbraw/zinc/19/40/28/1015194028.db2.gz FUBFEQJWUQLNLY-NSHGMRRFSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C1CCC(C(=O)N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC000964985957 1015212185 /nfs/dbraw/zinc/21/21/85/1015212185.db2.gz PTJZUVSVJKKBOT-RCCFBDPRSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CCC(C(=O)N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC000964985957 1015212190 /nfs/dbraw/zinc/21/21/90/1015212190.db2.gz PTJZUVSVJKKBOT-RCCFBDPRSA-N 1 2 370.497 2.757 20 30 FFEDLO CC1(C)CCCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001078288094 987121980 /nfs/dbraw/zinc/12/19/80/987121980.db2.gz MSUZZQHJMHCAAF-PWRODBHTSA-N 1 2 368.521 2.806 20 30 FFEDLO CC1(C)CCCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001078288094 987121988 /nfs/dbraw/zinc/12/19/88/987121988.db2.gz MSUZZQHJMHCAAF-PWRODBHTSA-N 1 2 368.521 2.806 20 30 FFEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001106154235 987289324 /nfs/dbraw/zinc/28/93/24/987289324.db2.gz FLUXYGVDNVUOPZ-FVQBIDKESA-N 1 2 356.363 2.623 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001106154235 987289331 /nfs/dbraw/zinc/28/93/31/987289331.db2.gz FLUXYGVDNVUOPZ-FVQBIDKESA-N 1 2 356.363 2.623 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](Cc2ccc3ncccc3c2)C1 ZINC001031077357 987579369 /nfs/dbraw/zinc/57/93/69/987579369.db2.gz PMNSGZIPEMAUGR-FPOVZHCZSA-N 1 2 365.477 2.907 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001007687666 1015345193 /nfs/dbraw/zinc/34/51/93/1015345193.db2.gz LIBUYLQOSVESFL-IWLLQYOYSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001007687666 1015345203 /nfs/dbraw/zinc/34/52/03/1015345203.db2.gz LIBUYLQOSVESFL-IWLLQYOYSA-N 1 2 370.497 2.613 20 30 FFEDLO CCCOc1ccc(CNC(=O)CO[NH+]=C(N)c2ccc(F)c(C)c2)cc1 ZINC000762709744 988598531 /nfs/dbraw/zinc/59/85/31/988598531.db2.gz WTRVTNUQDXQZBR-UHFFFAOYSA-N 1 2 373.428 2.876 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)c(C#N)c1C ZINC000879243544 1015433061 /nfs/dbraw/zinc/43/30/61/1015433061.db2.gz WLLSMVIFIAKOKX-MJGOQNOKSA-N 1 2 353.422 2.905 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)c(C#N)c1C ZINC000879243544 1015433068 /nfs/dbraw/zinc/43/30/68/1015433068.db2.gz WLLSMVIFIAKOKX-MJGOQNOKSA-N 1 2 353.422 2.905 20 30 FFEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)CC1 ZINC001004575311 989052111 /nfs/dbraw/zinc/05/21/11/989052111.db2.gz HGHQAWVGRCOGHO-QHAWAJNXSA-N 1 2 367.493 2.786 20 30 FFEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)CC1 ZINC001004575311 989052121 /nfs/dbraw/zinc/05/21/21/989052121.db2.gz HGHQAWVGRCOGHO-QHAWAJNXSA-N 1 2 367.493 2.786 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC001034408701 990052502 /nfs/dbraw/zinc/05/25/02/990052502.db2.gz MTWDFOVHECAIFF-BBWFWOEESA-N 1 2 361.486 2.860 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ncc(C(C)C)o2)C1 ZINC001034408701 990052510 /nfs/dbraw/zinc/05/25/10/990052510.db2.gz MTWDFOVHECAIFF-BBWFWOEESA-N 1 2 361.486 2.860 20 30 FFEDLO NC(=[NH+]OCC(=O)NCC1CC1)c1ccc(COc2ccccc2F)cc1 ZINC000154285069 990138713 /nfs/dbraw/zinc/13/87/13/990138713.db2.gz NCTZNRUELXWDSH-UHFFFAOYSA-N 1 2 371.412 2.568 20 30 FFEDLO CN(CCC#N)c1ccc(C=[NH+]Nc2nc3ccccc3c(=O)n2C)cc1 ZINC000917596488 990248761 /nfs/dbraw/zinc/24/87/61/990248761.db2.gz RKUGZLARRVIUQK-UHFFFAOYSA-N 1 2 360.421 2.729 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C3N=NC(=O)N3CC)CC2)c1C ZINC000675583969 990312013 /nfs/dbraw/zinc/31/20/13/990312013.db2.gz IFONNXPVGBURLV-UHFFFAOYSA-N 1 2 371.485 2.670 20 30 FFEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000918276752 990364785 /nfs/dbraw/zinc/36/47/85/990364785.db2.gz VXULZOQXGANWFY-HNNXBMFYSA-N 1 2 373.844 2.578 20 30 FFEDLO C#CCCCCC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001078993785 990506378 /nfs/dbraw/zinc/50/63/78/990506378.db2.gz YQBWLDRKLLFEFC-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO C#CCCCCC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001078993785 990506385 /nfs/dbraw/zinc/50/63/85/990506385.db2.gz YQBWLDRKLLFEFC-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO CCOC(=O)CC1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000130382544 990531443 /nfs/dbraw/zinc/53/14/43/990531443.db2.gz IUUGNLQONQWPIV-CYBMUJFWSA-N 1 2 361.442 2.760 20 30 FFEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCCC[C@@H]1c1c[nH+]cn1C ZINC000919975679 990771022 /nfs/dbraw/zinc/77/10/22/990771022.db2.gz ZZSUQOTXOBHGNU-GOSISDBHSA-N 1 2 372.494 2.966 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001005855627 990780850 /nfs/dbraw/zinc/78/08/50/990780850.db2.gz OGVUAAAFDLHQFF-ZACQAIPSSA-N 1 2 370.497 2.682 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879549738 1015585154 /nfs/dbraw/zinc/58/51/54/1015585154.db2.gz XJTCWRBGLUYNCL-IBGZPJMESA-N 1 2 359.474 2.571 20 30 FFEDLO N#Cc1ccc(F)c(CNC(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000920674756 990900223 /nfs/dbraw/zinc/90/02/23/990900223.db2.gz JATJTISPNKATOA-UHFFFAOYSA-N 1 2 353.401 2.878 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001005992805 990979909 /nfs/dbraw/zinc/97/99/09/990979909.db2.gz CNFQTCDOTDHJAK-SRABZTEZSA-N 1 2 370.497 2.680 20 30 FFEDLO C=C(C)COCCNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000134988469 991132340 /nfs/dbraw/zinc/13/23/40/991132340.db2.gz JZDWTXPUSUIADJ-HNNXBMFYSA-N 1 2 367.440 2.821 20 30 FFEDLO C=C(C)COCCNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000134988469 991132343 /nfs/dbraw/zinc/13/23/43/991132343.db2.gz JZDWTXPUSUIADJ-HNNXBMFYSA-N 1 2 367.440 2.821 20 30 FFEDLO CC#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2Nc2cc[nH+]c(C)n2)CC1 ZINC001090284419 991189509 /nfs/dbraw/zinc/18/95/09/991189509.db2.gz XXLZOISCUAALFS-NQIIRXRSSA-N 1 2 370.497 2.787 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccon1 ZINC001089641621 991222377 /nfs/dbraw/zinc/22/23/77/991222377.db2.gz PCDCUCQRYMRSML-KSZLIROESA-N 1 2 361.486 2.763 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccon1 ZINC001089641621 991222384 /nfs/dbraw/zinc/22/23/84/991222384.db2.gz PCDCUCQRYMRSML-KSZLIROESA-N 1 2 361.486 2.763 20 30 FFEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CCC)CC2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129307976 991538077 /nfs/dbraw/zinc/53/80/77/991538077.db2.gz VYUHFZCKSIJGLW-AQNXPRMDSA-N 1 2 371.529 2.640 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CCC)CC2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129307976 991538086 /nfs/dbraw/zinc/53/80/86/991538086.db2.gz VYUHFZCKSIJGLW-AQNXPRMDSA-N 1 2 371.529 2.640 20 30 FFEDLO N#Cc1ccc(NCC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)nc1 ZINC001063852658 991556709 /nfs/dbraw/zinc/55/67/09/991556709.db2.gz JDJITKIEZJDUBN-GVDBMIGSSA-N 1 2 364.453 2.663 20 30 FFEDLO N#Cc1ccc(NCC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)nc1 ZINC001063852658 991556718 /nfs/dbraw/zinc/55/67/18/991556718.db2.gz JDJITKIEZJDUBN-GVDBMIGSSA-N 1 2 364.453 2.663 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1CCNc1cc[nH+]c(C)n1 ZINC001063852577 991557211 /nfs/dbraw/zinc/55/72/11/991557211.db2.gz GYFKUQMYNLQANN-KSZLIROESA-N 1 2 358.486 2.949 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@H]21 ZINC001090311190 991700159 /nfs/dbraw/zinc/70/01/59/991700159.db2.gz RYYVHBOWJZDVDF-ZWKOTPCHSA-N 1 2 352.482 2.893 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001065015550 991741291 /nfs/dbraw/zinc/74/12/91/991741291.db2.gz VFJPBTWSHGOORL-BBWFWOEESA-N 1 2 356.470 2.656 20 30 FFEDLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)cn1 ZINC001079420162 992083548 /nfs/dbraw/zinc/08/35/48/992083548.db2.gz OJRRUEBSYUQQSA-BFUOFWGJSA-N 1 2 352.413 2.651 20 30 FFEDLO Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)cn1 ZINC001079420162 992083554 /nfs/dbraw/zinc/08/35/54/992083554.db2.gz OJRRUEBSYUQQSA-BFUOFWGJSA-N 1 2 352.413 2.651 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2coc(C)n2)CC1(C)C ZINC000941093451 992292680 /nfs/dbraw/zinc/29/26/80/992292680.db2.gz PVUHAJXFTVNYPR-KSZLIROESA-N 1 2 361.486 2.681 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2coc(C)n2)CC1(C)C ZINC000941093451 992292689 /nfs/dbraw/zinc/29/26/89/992292689.db2.gz PVUHAJXFTVNYPR-KSZLIROESA-N 1 2 361.486 2.681 20 30 FFEDLO CC(C)c1cc([C@H]2CCC[N@@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000879918788 1015707927 /nfs/dbraw/zinc/70/79/27/1015707927.db2.gz JAJQBELHRVDFCI-QFBILLFUSA-N 1 2 351.454 2.811 20 30 FFEDLO CC(C)c1cc([C@H]2CCC[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000879918788 1015707933 /nfs/dbraw/zinc/70/79/33/1015707933.db2.gz JAJQBELHRVDFCI-QFBILLFUSA-N 1 2 351.454 2.811 20 30 FFEDLO CC(C)c1cc([C@H]2CCC[N@@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000879918787 1015708476 /nfs/dbraw/zinc/70/84/76/1015708476.db2.gz JAJQBELHRVDFCI-LPHOPBHVSA-N 1 2 351.454 2.811 20 30 FFEDLO CC(C)c1cc([C@H]2CCC[N@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000879918787 1015708482 /nfs/dbraw/zinc/70/84/82/1015708482.db2.gz JAJQBELHRVDFCI-LPHOPBHVSA-N 1 2 351.454 2.811 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cnc(C2CC2)o1 ZINC001079872683 992513989 /nfs/dbraw/zinc/51/39/89/992513989.db2.gz ZXYSCRCVHKXOPU-CXAGYDPISA-N 1 2 350.422 2.674 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cnc(C2CC2)o1 ZINC001079872683 992513996 /nfs/dbraw/zinc/51/39/96/992513996.db2.gz ZXYSCRCVHKXOPU-CXAGYDPISA-N 1 2 350.422 2.674 20 30 FFEDLO C=C1CC(C(=O)N2CCC[C@@]3(C2)C[N@H+](Cc2scnc2C)CCO3)C1 ZINC001272709069 992525352 /nfs/dbraw/zinc/52/53/52/992525352.db2.gz KFJTZGITHRKPPR-IBGZPJMESA-N 1 2 361.511 2.611 20 30 FFEDLO C=C1CC(C(=O)N2CCC[C@@]3(C2)C[N@@H+](Cc2scnc2C)CCO3)C1 ZINC001272709069 992525367 /nfs/dbraw/zinc/52/53/67/992525367.db2.gz KFJTZGITHRKPPR-IBGZPJMESA-N 1 2 361.511 2.611 20 30 FFEDLO C=C(Br)CN1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001079961229 992598456 /nfs/dbraw/zinc/59/84/56/992598456.db2.gz IZQGTYIEQXBQRA-MEBBXXQBSA-N 1 2 363.259 2.522 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ncccn2)C[C@H]1C ZINC001079977668 992637598 /nfs/dbraw/zinc/63/75/98/992637598.db2.gz DNBBQYIORDDAMR-SOLBZPMBSA-N 1 2 366.465 2.853 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ncccn2)C[C@H]1C ZINC001079977668 992637601 /nfs/dbraw/zinc/63/76/01/992637601.db2.gz DNBBQYIORDDAMR-SOLBZPMBSA-N 1 2 366.465 2.853 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cc2cnccc2o1 ZINC001080048429 992674795 /nfs/dbraw/zinc/67/47/95/992674795.db2.gz MBRMDXRZCDCBFE-RDTXWAMCSA-N 1 2 360.417 2.950 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cc2cnccc2o1 ZINC001080048429 992674798 /nfs/dbraw/zinc/67/47/98/992674798.db2.gz MBRMDXRZCDCBFE-RDTXWAMCSA-N 1 2 360.417 2.950 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001032040719 992739138 /nfs/dbraw/zinc/73/91/38/992739138.db2.gz RTRDJYGYWGZWSP-ICSRJNTNSA-N 1 2 371.456 2.617 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)cs1 ZINC001080322078 992930693 /nfs/dbraw/zinc/93/06/93/992930693.db2.gz NVMHIFLQCVKRKT-BDJLRTHQSA-N 1 2 358.442 2.713 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)cs1 ZINC001080322078 992930697 /nfs/dbraw/zinc/93/06/97/992930697.db2.gz NVMHIFLQCVKRKT-BDJLRTHQSA-N 1 2 358.442 2.713 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CCC(OC)CC2)C1 ZINC001080353455 992989424 /nfs/dbraw/zinc/98/94/24/992989424.db2.gz ZEHLXWMEDWSZES-GALLPEHLSA-N 1 2 359.308 2.537 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CCC(OC)CC2)C1 ZINC001080353455 992989436 /nfs/dbraw/zinc/98/94/36/992989436.db2.gz ZEHLXWMEDWSZES-GALLPEHLSA-N 1 2 359.308 2.537 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1Cc2ccccc21 ZINC001080364503 993011714 /nfs/dbraw/zinc/01/17/14/993011714.db2.gz SIEWOWLIALITHZ-PUCZYUMASA-N 1 2 363.436 2.974 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1Cc2ccccc21 ZINC001080364503 993011723 /nfs/dbraw/zinc/01/17/23/993011723.db2.gz SIEWOWLIALITHZ-PUCZYUMASA-N 1 2 363.436 2.974 20 30 FFEDLO CC(C)c1oncc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080703843 993295482 /nfs/dbraw/zinc/29/54/82/993295482.db2.gz WDEGHOLSBBMBKT-RDTXWAMCSA-N 1 2 352.438 2.920 20 30 FFEDLO CC(C)c1oncc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080703843 993295490 /nfs/dbraw/zinc/29/54/90/993295490.db2.gz WDEGHOLSBBMBKT-RDTXWAMCSA-N 1 2 352.438 2.920 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1ncoc1C1CC1 ZINC001080723654 993331932 /nfs/dbraw/zinc/33/19/32/993331932.db2.gz LPPVSCBJIWCIIE-RDTXWAMCSA-N 1 2 367.424 2.793 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1ncoc1C1CC1 ZINC001080723654 993331935 /nfs/dbraw/zinc/33/19/35/993331935.db2.gz LPPVSCBJIWCIIE-RDTXWAMCSA-N 1 2 367.424 2.793 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001080882602 993451933 /nfs/dbraw/zinc/45/19/33/993451933.db2.gz JXDNXXGABZTGAD-QMTHXVAHSA-N 1 2 363.259 2.522 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001080882602 993451937 /nfs/dbraw/zinc/45/19/37/993451937.db2.gz JXDNXXGABZTGAD-QMTHXVAHSA-N 1 2 363.259 2.522 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)s1 ZINC001080911929 993471966 /nfs/dbraw/zinc/47/19/66/993471966.db2.gz NUZVTBGWBWRNKH-RDTXWAMCSA-N 1 2 353.491 2.862 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)s1 ZINC001080911929 993471969 /nfs/dbraw/zinc/47/19/69/993471969.db2.gz NUZVTBGWBWRNKH-RDTXWAMCSA-N 1 2 353.491 2.862 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C=C1CCCCC1 ZINC001081418087 993826846 /nfs/dbraw/zinc/82/68/46/993826846.db2.gz GMMFLONBNBTVNN-QZTJIDSGSA-N 1 2 359.495 2.826 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C=C1CCCCC1 ZINC001081418087 993826851 /nfs/dbraw/zinc/82/68/51/993826851.db2.gz GMMFLONBNBTVNN-QZTJIDSGSA-N 1 2 359.495 2.826 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@@H]1C=CCCC1 ZINC001081846838 994016617 /nfs/dbraw/zinc/01/66/17/994016617.db2.gz KDFBWUDGSFUTNP-NSISKUIASA-N 1 2 353.466 2.620 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@@H]1C=CCCC1 ZINC001081846838 994016625 /nfs/dbraw/zinc/01/66/25/994016625.db2.gz KDFBWUDGSFUTNP-NSISKUIASA-N 1 2 353.466 2.620 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[C@@H]1C=CCCC1 ZINC001081847263 994018621 /nfs/dbraw/zinc/01/86/21/994018621.db2.gz ZOJJGSKCGSCJSE-CDHQVMDDSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[C@@H]1C=CCCC1 ZINC001081847263 994018631 /nfs/dbraw/zinc/01/86/31/994018631.db2.gz ZOJJGSKCGSCJSE-CDHQVMDDSA-N 1 2 371.456 2.759 20 30 FFEDLO CCc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2OC)s1 ZINC001081909830 994036546 /nfs/dbraw/zinc/03/65/46/994036546.db2.gz PEHLAHYMNIJLSV-QZTJIDSGSA-N 1 2 369.490 2.811 20 30 FFEDLO CCc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2OC)s1 ZINC001081909830 994036551 /nfs/dbraw/zinc/03/65/51/994036551.db2.gz PEHLAHYMNIJLSV-QZTJIDSGSA-N 1 2 369.490 2.811 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@H]1CC=CCC1 ZINC001082029173 994125635 /nfs/dbraw/zinc/12/56/35/994125635.db2.gz KOIFQGNULGZCFA-PWRODBHTSA-N 1 2 352.478 2.600 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@H]1CC=CCC1 ZINC001082029173 994125645 /nfs/dbraw/zinc/12/56/45/994125645.db2.gz KOIFQGNULGZCFA-PWRODBHTSA-N 1 2 352.478 2.600 20 30 FFEDLO C=Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2OC)cc1 ZINC001082162554 994235672 /nfs/dbraw/zinc/23/56/72/994235672.db2.gz IUFHEUOHZXIWIW-NHCUHLMSSA-N 1 2 361.445 2.830 20 30 FFEDLO C=Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2OC)cc1 ZINC001082162554 994235680 /nfs/dbraw/zinc/23/56/80/994235680.db2.gz IUFHEUOHZXIWIW-NHCUHLMSSA-N 1 2 361.445 2.830 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1c(C)cccc1C ZINC001082163951 994236803 /nfs/dbraw/zinc/23/68/03/994236803.db2.gz NRQXJJJRFSJOFE-QZTJIDSGSA-N 1 2 369.490 2.866 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1c(C)cccc1C ZINC001082163951 994236811 /nfs/dbraw/zinc/23/68/11/994236811.db2.gz NRQXJJJRFSJOFE-QZTJIDSGSA-N 1 2 369.490 2.866 20 30 FFEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 ZINC000880481828 1015847842 /nfs/dbraw/zinc/84/78/42/1015847842.db2.gz PSVBNFPXBZIGCZ-UHFFFAOYSA-N 1 2 370.449 2.517 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H](C)C1CCCC1 ZINC001082319293 994340790 /nfs/dbraw/zinc/34/07/90/994340790.db2.gz PEJZKTHJDSMAKI-CWFSZBLJSA-N 1 2 355.482 2.700 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H](C)C1CCCC1 ZINC001082319293 994340804 /nfs/dbraw/zinc/34/08/04/994340804.db2.gz PEJZKTHJDSMAKI-CWFSZBLJSA-N 1 2 355.482 2.700 20 30 FFEDLO COc1ccccc1NC(=O)[C@@H](C#N)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810532919 994813605 /nfs/dbraw/zinc/81/36/05/994813605.db2.gz WMTYPWYIPFGRPX-ORAYPTAESA-N 1 2 361.417 2.555 20 30 FFEDLO COc1ccccc1NC(=O)[C@@H](C#N)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810532919 994813616 /nfs/dbraw/zinc/81/36/16/994813616.db2.gz WMTYPWYIPFGRPX-ORAYPTAESA-N 1 2 361.417 2.555 20 30 FFEDLO Cc1cccc(CNC(=O)[C@H](C#N)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)c1 ZINC000810709032 994895387 /nfs/dbraw/zinc/89/53/87/994895387.db2.gz OARJANUAQDPCJW-UZLBHIALSA-N 1 2 359.445 2.533 20 30 FFEDLO Cc1cccc(CNC(=O)[C@H](C#N)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)c1 ZINC000810709032 994895397 /nfs/dbraw/zinc/89/53/97/994895397.db2.gz OARJANUAQDPCJW-UZLBHIALSA-N 1 2 359.445 2.533 20 30 FFEDLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@@H]1COC(=O)/C=C/c1ccccc1C#N ZINC000747795326 995467252 /nfs/dbraw/zinc/46/72/52/995467252.db2.gz KXFCLVXQMFZGIA-DOJUMQAQSA-N 1 2 370.449 2.921 20 30 FFEDLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@@H]1COC(=O)/C=C/c1ccccc1C#N ZINC000747795326 995467257 /nfs/dbraw/zinc/46/72/57/995467257.db2.gz KXFCLVXQMFZGIA-DOJUMQAQSA-N 1 2 370.449 2.921 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000812795108 995540377 /nfs/dbraw/zinc/54/03/77/995540377.db2.gz LSGIMIBBXLHDKF-MRXNPFEDSA-N 1 2 372.352 2.750 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812851495 995553953 /nfs/dbraw/zinc/55/39/53/995553953.db2.gz RYJOAULZCGAXHL-UZLBHIALSA-N 1 2 372.490 2.776 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812851495 995553962 /nfs/dbraw/zinc/55/39/62/995553962.db2.gz RYJOAULZCGAXHL-UZLBHIALSA-N 1 2 372.490 2.776 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812851494 995554865 /nfs/dbraw/zinc/55/48/65/995554865.db2.gz RYJOAULZCGAXHL-OXQOHEQNSA-N 1 2 372.490 2.776 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812851494 995554873 /nfs/dbraw/zinc/55/48/73/995554873.db2.gz RYJOAULZCGAXHL-OXQOHEQNSA-N 1 2 372.490 2.776 20 30 FFEDLO C#C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccc(F)cc1 ZINC000812933964 995580621 /nfs/dbraw/zinc/58/06/21/995580621.db2.gz OKYZHNDWVGHMNO-OXJNMPFZSA-N 1 2 366.440 2.983 20 30 FFEDLO C[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21)C1CCC1 ZINC001083118819 996067716 /nfs/dbraw/zinc/06/77/16/996067716.db2.gz RDUZNDCSQGOHKT-VOBQZIQPSA-N 1 2 371.456 2.545 20 30 FFEDLO C[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21)C1CCC1 ZINC001083118819 996067722 /nfs/dbraw/zinc/06/77/22/996067722.db2.gz RDUZNDCSQGOHKT-VOBQZIQPSA-N 1 2 371.456 2.545 20 30 FFEDLO Cc1occc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084176812 996307726 /nfs/dbraw/zinc/30/77/26/996307726.db2.gz HUIFFGDJRQDZTA-VQIMIIECSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1occc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084176812 996307731 /nfs/dbraw/zinc/30/77/31/996307731.db2.gz HUIFFGDJRQDZTA-VQIMIIECSA-N 1 2 353.397 2.945 20 30 FFEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Br)s3)C[C@H]21 ZINC001084233115 996382509 /nfs/dbraw/zinc/38/25/09/996382509.db2.gz UOZGSQVABJIFGZ-DMDPSCGWSA-N 1 2 368.300 2.703 20 30 FFEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(Br)s3)C[C@H]21 ZINC001084233115 996382513 /nfs/dbraw/zinc/38/25/13/996382513.db2.gz UOZGSQVABJIFGZ-DMDPSCGWSA-N 1 2 368.300 2.703 20 30 FFEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4c(F)cccc4F)C[C@H]32)c[nH]1 ZINC001084289017 996394892 /nfs/dbraw/zinc/39/48/92/996394892.db2.gz MABMXRNZBXJUIT-KZULUSFZSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4c(F)cccc4F)C[C@H]32)c[nH]1 ZINC001084289017 996394898 /nfs/dbraw/zinc/39/48/98/996394898.db2.gz MABMXRNZBXJUIT-KZULUSFZSA-N 1 2 356.376 2.511 20 30 FFEDLO Cc1nscc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084292525 996397848 /nfs/dbraw/zinc/39/78/48/996397848.db2.gz GNDZONWWECAEPL-IEBWSBKVSA-N 1 2 351.475 2.650 20 30 FFEDLO Cc1nscc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084292525 996397853 /nfs/dbraw/zinc/39/78/53/996397853.db2.gz GNDZONWWECAEPL-IEBWSBKVSA-N 1 2 351.475 2.650 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[C@H]4CCOC4)[C@@H]3C2)c(F)c1 ZINC001084268388 996412995 /nfs/dbraw/zinc/41/29/95/996412995.db2.gz PGMUTPKMEMWXGD-QKYXUNIQSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[C@H]4CCOC4)[C@@H]3C2)c(F)c1 ZINC001084268388 996412998 /nfs/dbraw/zinc/41/29/98/996412998.db2.gz PGMUTPKMEMWXGD-QKYXUNIQSA-N 1 2 371.456 2.547 20 30 FFEDLO CC[C@@H](SC)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084284218 996430404 /nfs/dbraw/zinc/43/04/04/996430404.db2.gz ZTRCVAUJWJEHOJ-BHIYHBOVSA-N 1 2 360.498 2.852 20 30 FFEDLO CC[C@@H](SC)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084284218 996430405 /nfs/dbraw/zinc/43/04/05/996430405.db2.gz ZTRCVAUJWJEHOJ-BHIYHBOVSA-N 1 2 360.498 2.852 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cccn4)c3)[C@@H]2C1 ZINC001084722151 997061229 /nfs/dbraw/zinc/06/12/29/997061229.db2.gz BDACJNLIGFNQDO-SJLPKXTDSA-N 1 2 356.857 2.771 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cccn4)c3)[C@@H]2C1 ZINC001084722151 997061240 /nfs/dbraw/zinc/06/12/40/997061240.db2.gz BDACJNLIGFNQDO-SJLPKXTDSA-N 1 2 356.857 2.771 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001090794937 997103975 /nfs/dbraw/zinc/10/39/75/997103975.db2.gz OEQSNEWXHJBKHH-YXKFXFPPSA-N 1 2 360.502 2.572 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)c(C)o1 ZINC001084737377 997125626 /nfs/dbraw/zinc/12/56/26/997125626.db2.gz HPBGBOLAKVPLQO-CZUORRHYSA-N 1 2 356.451 2.571 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)c(C)o1 ZINC001084737377 997125630 /nfs/dbraw/zinc/12/56/30/997125630.db2.gz HPBGBOLAKVPLQO-CZUORRHYSA-N 1 2 356.451 2.571 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1CN(c2nc(C)[nH+]c3c2CCCC3)C[C@H]1C ZINC001090806706 997159271 /nfs/dbraw/zinc/15/92/71/997159271.db2.gz JBBBLDHVVSDEOP-DNVCBOLYSA-N 1 2 354.498 2.798 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)COc3cc(F)ccc3F)[C@@H]2C1 ZINC001084787230 997359189 /nfs/dbraw/zinc/35/91/89/997359189.db2.gz FHTUAKZQQPAOMI-IUODEOHRSA-N 1 2 356.800 2.629 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)COc3cc(F)ccc3F)[C@@H]2C1 ZINC001084787230 997359200 /nfs/dbraw/zinc/35/92/00/997359200.db2.gz FHTUAKZQQPAOMI-IUODEOHRSA-N 1 2 356.800 2.629 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001056405751 1016133240 /nfs/dbraw/zinc/13/32/40/1016133240.db2.gz PMLGHHCIRUYAGC-JOCBIADPSA-N 1 2 370.497 2.707 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001056405751 1016133248 /nfs/dbraw/zinc/13/32/48/1016133248.db2.gz PMLGHHCIRUYAGC-JOCBIADPSA-N 1 2 370.497 2.707 20 30 FFEDLO N#Cc1cccc(Cl)c1CN1CC([NH+]2CCN(c3ccccn3)CC2)C1 ZINC001143731085 997608905 /nfs/dbraw/zinc/60/89/05/997608905.db2.gz LGWWPMFPBVOYOI-UHFFFAOYSA-N 1 2 367.884 2.613 20 30 FFEDLO COc1ccccc1C(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000731211234 997739812 /nfs/dbraw/zinc/73/98/12/997739812.db2.gz BTNDOOPFPAYPCJ-UHFFFAOYSA-N 1 2 365.433 2.556 20 30 FFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000881121229 1016151608 /nfs/dbraw/zinc/15/16/08/1016151608.db2.gz DEUNQTHATHGCHV-RDTXWAMCSA-N 1 2 354.454 2.763 20 30 FFEDLO CCOc1ccc(NC(=O)C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1 ZINC000844365467 997839752 /nfs/dbraw/zinc/83/97/52/997839752.db2.gz GCPJMFDOMJPBFJ-LJQANCHMSA-N 1 2 353.422 2.561 20 30 FFEDLO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1 ZINC000844365467 997839760 /nfs/dbraw/zinc/83/97/60/997839760.db2.gz GCPJMFDOMJPBFJ-LJQANCHMSA-N 1 2 353.422 2.561 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3scnc3C)C[C@@H]21 ZINC001084896604 997947127 /nfs/dbraw/zinc/94/71/27/997947127.db2.gz LXECZNUCSQYPTR-OLZOCXBDSA-N 1 2 370.316 2.897 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3scnc3C)C[C@@H]21 ZINC001084896604 997947137 /nfs/dbraw/zinc/94/71/37/997947137.db2.gz LXECZNUCSQYPTR-OLZOCXBDSA-N 1 2 370.316 2.897 20 30 FFEDLO COc1c(O)c(C[NH+]2CCN(c3ccsc3C#N)CC2)ccc1[N+](=O)[O-] ZINC000826894399 1016170870 /nfs/dbraw/zinc/17/08/70/1016170870.db2.gz OLOSSIDRVLGZLM-UHFFFAOYSA-N 1 2 374.422 2.564 20 30 FFEDLO N#Cc1cncc(C[N@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c1 ZINC001144086756 997987167 /nfs/dbraw/zinc/98/71/67/997987167.db2.gz ZDPKYQSEJVGUMX-MRXNPFEDSA-N 1 2 350.397 2.713 20 30 FFEDLO N#Cc1cncc(C[N@@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c1 ZINC001144086756 997987171 /nfs/dbraw/zinc/98/71/71/997987171.db2.gz ZDPKYQSEJVGUMX-MRXNPFEDSA-N 1 2 350.397 2.713 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC001084907224 997990608 /nfs/dbraw/zinc/99/06/08/997990608.db2.gz ZEQMDBAJDCWLGZ-SUMDDJOVSA-N 1 2 355.869 2.774 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC001084907224 997990617 /nfs/dbraw/zinc/99/06/17/997990617.db2.gz ZEQMDBAJDCWLGZ-SUMDDJOVSA-N 1 2 355.869 2.774 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cncc(F)c3)C[C@@H]21 ZINC001084918673 998086213 /nfs/dbraw/zinc/08/62/13/998086213.db2.gz SCLVHXNHGLUZRE-DOMZBBRYSA-N 1 2 368.250 2.666 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cncc(F)c3)C[C@@H]21 ZINC001084918673 998086223 /nfs/dbraw/zinc/08/62/23/998086223.db2.gz SCLVHXNHGLUZRE-DOMZBBRYSA-N 1 2 368.250 2.666 20 30 FFEDLO Cn1ccc(C(=O)N2CC[C@H]3CC[N@H+](Cc4cc(F)ccc4C#N)[C@H]3C2)c1 ZINC001084919779 998097516 /nfs/dbraw/zinc/09/75/16/998097516.db2.gz MQLHVDYUFOEJLF-QRWLVFNGSA-N 1 2 366.440 2.772 20 30 FFEDLO Cn1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cc(F)ccc4C#N)[C@H]3C2)c1 ZINC001084919779 998097530 /nfs/dbraw/zinc/09/75/30/998097530.db2.gz MQLHVDYUFOEJLF-QRWLVFNGSA-N 1 2 366.440 2.772 20 30 FFEDLO C=C(C(=O)NCCSCc1csc(C[NH+](C)C)n1)C(F)(F)F ZINC001144213674 998144020 /nfs/dbraw/zinc/14/40/20/998144020.db2.gz ZHXPNIQYXOBLMQ-UHFFFAOYSA-N 1 2 353.435 2.673 20 30 FFEDLO CC(C)C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(C#N)nc2)C1)n1cc[nH+]c1 ZINC001091009132 998172678 /nfs/dbraw/zinc/17/26/78/998172678.db2.gz WROPAPGNNTXVPJ-ATZDWAIDSA-N 1 2 366.469 2.696 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001056800297 1016194503 /nfs/dbraw/zinc/19/45/03/1016194503.db2.gz XNZHFVYWRPAIHC-ZACQAIPSSA-N 1 2 356.470 2.656 20 30 FFEDLO CCCc1cc[n+](C(C(=O)C2C=CC(=NC(N)=O)C=C2)C(=S)NC)cc1 ZINC000732179168 998526404 /nfs/dbraw/zinc/52/64/04/998526404.db2.gz DHAKXRYZESQMAL-UHFFFAOYSA-O 1 2 371.486 2.660 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001085004857 998651607 /nfs/dbraw/zinc/65/16/07/998651607.db2.gz OZCYUOVHRHCINZ-AEFFLSMTSA-N 1 2 371.529 2.947 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001085004857 998651609 /nfs/dbraw/zinc/65/16/09/998651609.db2.gz OZCYUOVHRHCINZ-AEFFLSMTSA-N 1 2 371.529 2.947 20 30 FFEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1C ZINC000845837782 998670297 /nfs/dbraw/zinc/67/02/97/998670297.db2.gz KGTSJOPKOWSUSU-UHFFFAOYSA-N 1 2 373.478 2.987 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cn(C(C)C)nn4)[C@H]3C2)C1 ZINC001085026906 998711821 /nfs/dbraw/zinc/71/18/21/998711821.db2.gz ABYBELTZBUDKID-AEFFLSMTSA-N 1 2 357.502 2.638 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4cn(C(C)C)nn4)[C@H]3C2)C1 ZINC001085026906 998711823 /nfs/dbraw/zinc/71/18/23/998711823.db2.gz ABYBELTZBUDKID-AEFFLSMTSA-N 1 2 357.502 2.638 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066205587 999147692 /nfs/dbraw/zinc/14/76/92/999147692.db2.gz SAPQAYYYODKBSC-KZNAEPCWSA-N 1 2 370.497 2.779 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066205587 999147694 /nfs/dbraw/zinc/14/76/94/999147694.db2.gz SAPQAYYYODKBSC-KZNAEPCWSA-N 1 2 370.497 2.779 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001085600014 999586221 /nfs/dbraw/zinc/58/62/21/999586221.db2.gz IARFGJGGJLYMTG-GGPKGHCWSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001085600014 999586224 /nfs/dbraw/zinc/58/62/24/999586224.db2.gz IARFGJGGJLYMTG-GGPKGHCWSA-N 1 2 371.456 2.711 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085650941 999599681 /nfs/dbraw/zinc/59/96/81/999599681.db2.gz FSJWEPUHLMABOL-AYBZRNKSSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085650941 999599683 /nfs/dbraw/zinc/59/96/83/999599683.db2.gz FSJWEPUHLMABOL-AYBZRNKSSA-N 1 2 359.445 2.545 20 30 FFEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001085730624 999617611 /nfs/dbraw/zinc/61/76/11/999617611.db2.gz CMBMYESVIYLYLS-ZIBCJSCZSA-N 1 2 370.468 2.525 20 30 FFEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001085730624 999617613 /nfs/dbraw/zinc/61/76/13/999617613.db2.gz CMBMYESVIYLYLS-ZIBCJSCZSA-N 1 2 370.468 2.525 20 30 FFEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001085831085 999648396 /nfs/dbraw/zinc/64/83/96/999648396.db2.gz QXUWYLJSMYASOG-FDFHNCONSA-N 1 2 359.473 2.770 20 30 FFEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001085831085 999648404 /nfs/dbraw/zinc/64/84/04/999648404.db2.gz QXUWYLJSMYASOG-FDFHNCONSA-N 1 2 359.473 2.770 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085863341 999659187 /nfs/dbraw/zinc/65/91/87/999659187.db2.gz XLIQYHCJUSWFPK-FSSWDIPSSA-N 1 2 366.505 2.942 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085863341 999659190 /nfs/dbraw/zinc/65/91/90/999659190.db2.gz XLIQYHCJUSWFPK-FSSWDIPSSA-N 1 2 366.505 2.942 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C)ns1 ZINC001085864550 999662337 /nfs/dbraw/zinc/66/23/37/999662337.db2.gz DFTSAZYVWDQWGN-NJAFHUGGSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C)ns1 ZINC001085864550 999662339 /nfs/dbraw/zinc/66/23/39/999662339.db2.gz DFTSAZYVWDQWGN-NJAFHUGGSA-N 1 2 363.527 2.856 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741353870 999723732 /nfs/dbraw/zinc/72/37/32/999723732.db2.gz RDPDBWYKMPUIAY-NQIIRXRSSA-N 1 2 371.481 2.639 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741353870 999723734 /nfs/dbraw/zinc/72/37/34/999723734.db2.gz RDPDBWYKMPUIAY-NQIIRXRSSA-N 1 2 371.481 2.639 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000741789113 999742617 /nfs/dbraw/zinc/74/26/17/999742617.db2.gz TTYVRJOMIJHVFG-JXFKEZNVSA-N 1 2 364.449 2.546 20 30 FFEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000743921991 999837379 /nfs/dbraw/zinc/83/73/79/999837379.db2.gz QXZVOOOHHSRVBM-UHFFFAOYSA-N 1 2 360.417 2.996 20 30 FFEDLO C=CC[N@@H+](CCc1ccccc1)Cn1cc(C)n(-c2cc(C)on2)c1=O ZINC000744153960 999845342 /nfs/dbraw/zinc/84/53/42/999845342.db2.gz SZTBMFWZYYAIQR-UHFFFAOYSA-N 1 2 352.438 2.932 20 30 FFEDLO C=CC[N@H+](CCc1ccccc1)Cn1cc(C)n(-c2cc(C)on2)c1=O ZINC000744153960 999845343 /nfs/dbraw/zinc/84/53/43/999845343.db2.gz SZTBMFWZYYAIQR-UHFFFAOYSA-N 1 2 352.438 2.932 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2csc(COc3ccc(F)cc3)n2)CC1 ZINC000744366567 999853053 /nfs/dbraw/zinc/85/30/53/999853053.db2.gz UJMJFADPPOPQGK-UHFFFAOYSA-N 1 2 373.453 2.642 20 30 FFEDLO CCCCNC(=O)CO[NH+]=C(N)c1ccc(COc2ccccc2F)cc1 ZINC000745450467 999914656 /nfs/dbraw/zinc/91/46/56/999914656.db2.gz BSICTMBJOSMCPX-UHFFFAOYSA-N 1 2 373.428 2.958 20 30 FFEDLO COC(=O)C=Cc1ccc(OCCO[NH+]=C(N)c2ccc(F)cc2)cc1 ZINC000767072201 1000098540 /nfs/dbraw/zinc/09/85/40/1000098540.db2.gz IQBUGBFIBPFTQR-NYYWCZLTSA-N 1 2 358.369 2.728 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](CNc2ncnc3c2C[N@H+](C)CC3)[C@H](C)C1 ZINC001054517185 1016387463 /nfs/dbraw/zinc/38/74/63/1016387463.db2.gz ZAEVGTQNDIKTLF-HZPDHXFCSA-N 1 2 371.529 2.573 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](CNc2ncnc3c2C[N@@H+](C)CC3)[C@H](C)C1 ZINC001054517185 1016387479 /nfs/dbraw/zinc/38/74/79/1016387479.db2.gz ZAEVGTQNDIKTLF-HZPDHXFCSA-N 1 2 371.529 2.573 20 30 FFEDLO COc1cccc([C@H]2CN(C(=O)c3ccc4c(C#N)c[nH]c4c3)CC[NH2+]2)c1 ZINC001169973468 1000138935 /nfs/dbraw/zinc/13/89/35/1000138935.db2.gz CCKFSMOSPAYXKC-HXUWFJFHSA-N 1 2 360.417 2.835 20 30 FFEDLO CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001108964059 1000139443 /nfs/dbraw/zinc/13/94/43/1000139443.db2.gz PWPJYAGZRFUJHY-VLQPXKRTSA-N 1 2 360.885 2.838 20 30 FFEDLO CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001108964059 1000139445 /nfs/dbraw/zinc/13/94/45/1000139445.db2.gz PWPJYAGZRFUJHY-VLQPXKRTSA-N 1 2 360.885 2.838 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[C@@H]2CCCO2)C3)c(F)c1 ZINC001108965779 1000142105 /nfs/dbraw/zinc/14/21/05/1000142105.db2.gz JQHARZLPUYHTGA-UMGGQSCQSA-N 1 2 371.456 2.878 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[C@@H]2CCCO2)C3)c(F)c1 ZINC001108965779 1000142106 /nfs/dbraw/zinc/14/21/06/1000142106.db2.gz JQHARZLPUYHTGA-UMGGQSCQSA-N 1 2 371.456 2.878 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)nc1 ZINC001109037773 1000157307 /nfs/dbraw/zinc/15/73/07/1000157307.db2.gz GBTUAAHVIZJQFS-ORQFMDKSSA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)nc1 ZINC001109037773 1000157309 /nfs/dbraw/zinc/15/73/09/1000157309.db2.gz GBTUAAHVIZJQFS-ORQFMDKSSA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)cc1F ZINC001109072596 1000161953 /nfs/dbraw/zinc/16/19/53/1000161953.db2.gz JINLMDZOJGXKMP-PVAVHDDUSA-N 1 2 352.837 2.903 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)cc1F ZINC001109072596 1000161954 /nfs/dbraw/zinc/16/19/54/1000161954.db2.gz JINLMDZOJGXKMP-PVAVHDDUSA-N 1 2 352.837 2.903 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCCCC1 ZINC001109209602 1000187357 /nfs/dbraw/zinc/18/73/57/1000187357.db2.gz RJGFCZOHJGLXRM-AABGKKOBSA-N 1 2 373.541 2.741 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCCCC1 ZINC001109209602 1000187358 /nfs/dbraw/zinc/18/73/58/1000187358.db2.gz RJGFCZOHJGLXRM-AABGKKOBSA-N 1 2 373.541 2.741 20 30 FFEDLO CCCCN(CCCC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109259411 1000204273 /nfs/dbraw/zinc/20/42/73/1000204273.db2.gz BTDMCVAALGKYAJ-AABGKKOBSA-N 1 2 373.541 2.550 20 30 FFEDLO CCCCN(CCCC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109259411 1000204277 /nfs/dbraw/zinc/20/42/77/1000204277.db2.gz BTDMCVAALGKYAJ-AABGKKOBSA-N 1 2 373.541 2.550 20 30 FFEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1coc(-c2ccccc2)n1 ZINC001109259879 1000205012 /nfs/dbraw/zinc/20/50/12/1000205012.db2.gz XRGCLZUZAVEHNH-AABGKKOBSA-N 1 2 361.445 2.977 20 30 FFEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1coc(-c2ccccc2)n1 ZINC001109259879 1000205016 /nfs/dbraw/zinc/20/50/16/1000205016.db2.gz XRGCLZUZAVEHNH-AABGKKOBSA-N 1 2 361.445 2.977 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1sccc1Cl ZINC001109267041 1000208449 /nfs/dbraw/zinc/20/84/49/1000208449.db2.gz KMKKJXGSEFDDEY-UXOAXIEHSA-N 1 2 352.887 2.661 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1sccc1Cl ZINC001109267041 1000208452 /nfs/dbraw/zinc/20/84/52/1000208452.db2.gz KMKKJXGSEFDDEY-UXOAXIEHSA-N 1 2 352.887 2.661 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)c(F)c1 ZINC001109267595 1000209399 /nfs/dbraw/zinc/20/93/99/1000209399.db2.gz QTMCXCSPRMKESV-NMVRNDPTSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)c(F)c1 ZINC001109267595 1000209406 /nfs/dbraw/zinc/20/94/06/1000209406.db2.gz QTMCXCSPRMKESV-NMVRNDPTSA-N 1 2 364.848 2.739 20 30 FFEDLO CN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2)C1CCCCC1 ZINC001109262473 1000219615 /nfs/dbraw/zinc/21/96/15/1000219615.db2.gz LQAIDESVOBOCKV-QYZOEREBSA-N 1 2 373.541 2.549 20 30 FFEDLO CN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2)C1CCCCC1 ZINC001109262473 1000219618 /nfs/dbraw/zinc/21/96/18/1000219618.db2.gz LQAIDESVOBOCKV-QYZOEREBSA-N 1 2 373.541 2.549 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001109283718 1000226340 /nfs/dbraw/zinc/22/63/40/1000226340.db2.gz CYDOOJFHRMJFEC-BBWFWOEESA-N 1 2 360.502 2.831 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1)C1CC1 ZINC001109294192 1000240742 /nfs/dbraw/zinc/24/07/42/1000240742.db2.gz MZUWZFBUACBCEJ-GTAWCEEGSA-N 1 2 371.456 2.734 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1)C1CC1 ZINC001109294192 1000240747 /nfs/dbraw/zinc/24/07/47/1000240747.db2.gz MZUWZFBUACBCEJ-GTAWCEEGSA-N 1 2 371.456 2.734 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc2n(n1)CCC2 ZINC001109328866 1000277961 /nfs/dbraw/zinc/27/79/61/1000277961.db2.gz FMRVDVFQYOJUNC-HOJAQTOUSA-N 1 2 354.498 2.819 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc2n(n1)CCC2 ZINC001109328866 1000277963 /nfs/dbraw/zinc/27/79/63/1000277963.db2.gz FMRVDVFQYOJUNC-HOJAQTOUSA-N 1 2 354.498 2.819 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1C(=O)Nc3ccccc31)C2 ZINC001096650779 1016407088 /nfs/dbraw/zinc/40/70/88/1016407088.db2.gz XKKRVQAYMDQDQE-IRWJRLHMSA-N 1 2 359.857 2.586 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1C(=O)Nc3ccccc31)C2 ZINC001096650779 1016407095 /nfs/dbraw/zinc/40/70/95/1016407095.db2.gz XKKRVQAYMDQDQE-IRWJRLHMSA-N 1 2 359.857 2.586 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc3ccccc3[nH]1)C2 ZINC001109492323 1000559429 /nfs/dbraw/zinc/55/94/29/1000559429.db2.gz UIMCWFDGLRRSDI-COXVUDFISA-N 1 2 358.873 2.970 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc3ccccc3[nH]1)C2 ZINC001109492323 1000559434 /nfs/dbraw/zinc/55/94/34/1000559434.db2.gz UIMCWFDGLRRSDI-COXVUDFISA-N 1 2 358.873 2.970 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCc2ccccc21 ZINC001109605599 1000715293 /nfs/dbraw/zinc/71/52/93/1000715293.db2.gz JLZLFKOPXDDFJZ-AOIWGVFYSA-N 1 2 367.493 2.509 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCc2ccccc21 ZINC001109605599 1000715298 /nfs/dbraw/zinc/71/52/98/1000715298.db2.gz JLZLFKOPXDDFJZ-AOIWGVFYSA-N 1 2 367.493 2.509 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)C(C)C)C2 ZINC001109619246 1000722676 /nfs/dbraw/zinc/72/26/76/1000722676.db2.gz LYRXKCHQKPDXHC-VUHPKUFZSA-N 1 2 359.445 2.782 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)C(C)C)C2 ZINC001109619246 1000722682 /nfs/dbraw/zinc/72/26/82/1000722682.db2.gz LYRXKCHQKPDXHC-VUHPKUFZSA-N 1 2 359.445 2.782 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC(C)(C)C ZINC001109635781 1000760953 /nfs/dbraw/zinc/76/09/53/1000760953.db2.gz RGROXKWEQSZBQO-MHORFTMASA-N 1 2 363.546 2.863 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC(C)(C)C ZINC001109635781 1000760959 /nfs/dbraw/zinc/76/09/59/1000760959.db2.gz RGROXKWEQSZBQO-MHORFTMASA-N 1 2 363.546 2.863 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@H]1CC[C@@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001091606911 1000789396 /nfs/dbraw/zinc/78/93/96/1000789396.db2.gz GKQRULHXKQPFPM-JKSUJKDBSA-N 1 2 371.529 2.764 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@H]1CC[C@@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001091606911 1000789401 /nfs/dbraw/zinc/78/94/01/1000789401.db2.gz GKQRULHXKQPFPM-JKSUJKDBSA-N 1 2 371.529 2.764 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC=C)C3)c1 ZINC001109657529 1000796108 /nfs/dbraw/zinc/79/61/08/1000796108.db2.gz SUESINUDVBSTNO-AABGKKOBSA-N 1 2 365.477 2.684 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC=C)C3)c1 ZINC001109657529 1000796113 /nfs/dbraw/zinc/79/61/13/1000796113.db2.gz SUESINUDVBSTNO-AABGKKOBSA-N 1 2 365.477 2.684 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCCCC1 ZINC001109658875 1000799084 /nfs/dbraw/zinc/79/90/84/1000799084.db2.gz IULOECRXRVJYMQ-QYZOEREBSA-N 1 2 361.530 2.761 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCCCC1 ZINC001109658875 1000799091 /nfs/dbraw/zinc/79/90/91/1000799091.db2.gz IULOECRXRVJYMQ-QYZOEREBSA-N 1 2 361.530 2.761 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109692470 1000863566 /nfs/dbraw/zinc/86/35/66/1000863566.db2.gz XLCMDZGPDCUHEZ-GTAWCEEGSA-N 1 2 373.472 2.980 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109692470 1000863570 /nfs/dbraw/zinc/86/35/70/1000863570.db2.gz XLCMDZGPDCUHEZ-GTAWCEEGSA-N 1 2 373.472 2.980 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)C(F)(F)c2ccc(Br)cc2)CC1 ZINC001147291055 1000871825 /nfs/dbraw/zinc/87/18/25/1000871825.db2.gz GPJYNCCPQKWVCB-UHFFFAOYSA-N 1 2 371.225 2.708 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)C(F)(F)c2ccc(Br)cc2)CC1 ZINC001147291055 1000871831 /nfs/dbraw/zinc/87/18/31/1000871831.db2.gz GPJYNCCPQKWVCB-UHFFFAOYSA-N 1 2 371.225 2.708 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091638423 1000914240 /nfs/dbraw/zinc/91/42/40/1000914240.db2.gz WWVGMTONFLKDNL-KHYOSLBOSA-N 1 2 360.506 2.545 20 30 FFEDLO Cc1nc(NC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]2C)ccc1C#N ZINC001054663308 1016460159 /nfs/dbraw/zinc/46/01/59/1016460159.db2.gz DMHZZOHYQZJXAS-RVKKMQEKSA-N 1 2 366.469 2.616 20 30 FFEDLO COCCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109915935 1001142013 /nfs/dbraw/zinc/14/20/13/1001142013.db2.gz HMBNXEVDLDWGPZ-NEWSRXKRSA-N 1 2 373.472 2.982 20 30 FFEDLO COCCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109915935 1001142017 /nfs/dbraw/zinc/14/20/17/1001142017.db2.gz HMBNXEVDLDWGPZ-NEWSRXKRSA-N 1 2 373.472 2.982 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccccc1)C2 ZINC001110032275 1001346968 /nfs/dbraw/zinc/34/69/68/1001346968.db2.gz ATIUXEKUSNCCGR-GIVPXCGWSA-N 1 2 361.445 2.859 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccccc1)C2 ZINC001110032275 1001346974 /nfs/dbraw/zinc/34/69/74/1001346974.db2.gz ATIUXEKUSNCCGR-GIVPXCGWSA-N 1 2 361.445 2.859 20 30 FFEDLO Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000746655957 1001671175 /nfs/dbraw/zinc/67/11/75/1001671175.db2.gz RVNVIYYMVIBXRU-SFHVURJKSA-N 1 2 370.428 2.727 20 30 FFEDLO C[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000787716285 1001709646 /nfs/dbraw/zinc/70/96/46/1001709646.db2.gz MFKDXPKILMGWGR-SJLPKXTDSA-N 1 2 369.465 2.535 20 30 FFEDLO C[C@@H](OC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000787716285 1001709650 /nfs/dbraw/zinc/70/96/50/1001709650.db2.gz MFKDXPKILMGWGR-SJLPKXTDSA-N 1 2 369.465 2.535 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc(C(C)(C)C)cc(O)c2O)n1 ZINC000788370396 1001795257 /nfs/dbraw/zinc/79/52/57/1001795257.db2.gz TUSOOUXWLFZDTP-UHFFFAOYSA-N 1 2 371.481 2.874 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc(C(C)(C)C)cc(O)c2O)n1 ZINC000788370396 1001795265 /nfs/dbraw/zinc/79/52/65/1001795265.db2.gz TUSOOUXWLFZDTP-UHFFFAOYSA-N 1 2 371.481 2.874 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001091911713 1002063841 /nfs/dbraw/zinc/06/38/41/1002063841.db2.gz XHWFRIBYCXQMMU-QRWLVFNGSA-N 1 2 359.518 2.811 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001091911713 1002063854 /nfs/dbraw/zinc/06/38/54/1002063854.db2.gz XHWFRIBYCXQMMU-QRWLVFNGSA-N 1 2 359.518 2.811 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000789758484 1002179331 /nfs/dbraw/zinc/17/93/31/1002179331.db2.gz LEMIDTHTFXUVOX-UHFFFAOYSA-N 1 2 356.445 2.514 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000789758484 1002179339 /nfs/dbraw/zinc/17/93/39/1002179339.db2.gz LEMIDTHTFXUVOX-UHFFFAOYSA-N 1 2 356.445 2.514 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C)n4CCC)C[C@@]3(C)C2)C1 ZINC001091995215 1002199344 /nfs/dbraw/zinc/19/93/44/1002199344.db2.gz BANWWSMKGHQXTB-UTKZUKDTSA-N 1 2 371.529 2.633 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C)n4CCC)C[C@@]3(C)C2)C1 ZINC001091995215 1002199351 /nfs/dbraw/zinc/19/93/51/1002199351.db2.gz BANWWSMKGHQXTB-UTKZUKDTSA-N 1 2 371.529 2.633 20 30 FFEDLO Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)cn1 ZINC001096812138 1016583841 /nfs/dbraw/zinc/58/38/41/1016583841.db2.gz BDHIHYDBISFLTJ-OLMNPRSZSA-N 1 2 352.463 2.859 20 30 FFEDLO Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)cn1 ZINC001096812138 1016583853 /nfs/dbraw/zinc/58/38/53/1016583853.db2.gz BDHIHYDBISFLTJ-OLMNPRSZSA-N 1 2 352.463 2.859 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001086581894 1002258117 /nfs/dbraw/zinc/25/81/17/1002258117.db2.gz QBKLNDKRKJEALI-DLBZAZTESA-N 1 2 357.841 2.738 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001086581894 1002258126 /nfs/dbraw/zinc/25/81/26/1002258126.db2.gz QBKLNDKRKJEALI-DLBZAZTESA-N 1 2 357.841 2.738 20 30 FFEDLO Cc1cc(C)n(CCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)n1 ZINC001183828719 1002400719 /nfs/dbraw/zinc/40/07/19/1002400719.db2.gz BQGOVWPTYVKAEF-FQEVSTJZSA-N 1 2 365.481 2.543 20 30 FFEDLO Cc1cc(C)n(CCNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)n1 ZINC001183828719 1002400726 /nfs/dbraw/zinc/40/07/26/1002400726.db2.gz BQGOVWPTYVKAEF-FQEVSTJZSA-N 1 2 365.481 2.543 20 30 FFEDLO C[C@@H]1CC[C@H](CO)CN1C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183828269 1002400761 /nfs/dbraw/zinc/40/07/61/1002400761.db2.gz FFNIUKOZUHLSPS-FUHIMQAGSA-N 1 2 355.482 2.532 20 30 FFEDLO C[C@@H]1CC[C@H](CO)CN1C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183828269 1002400766 /nfs/dbraw/zinc/40/07/66/1002400766.db2.gz FFNIUKOZUHLSPS-FUHIMQAGSA-N 1 2 355.482 2.532 20 30 FFEDLO CCN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N)C1CCOCC1 ZINC001183832076 1002403495 /nfs/dbraw/zinc/40/34/95/1002403495.db2.gz SPXBHUOCJUSWOT-FQEVSTJZSA-N 1 2 355.482 2.940 20 30 FFEDLO CCN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N)C1CCOCC1 ZINC001183832076 1002403498 /nfs/dbraw/zinc/40/34/98/1002403498.db2.gz SPXBHUOCJUSWOT-FQEVSTJZSA-N 1 2 355.482 2.940 20 30 FFEDLO CCN(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N)C1CCOCC1 ZINC001183832079 1002403587 /nfs/dbraw/zinc/40/35/87/1002403587.db2.gz SPXBHUOCJUSWOT-HXUWFJFHSA-N 1 2 355.482 2.940 20 30 FFEDLO CCN(C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N)C1CCOCC1 ZINC001183832079 1002403595 /nfs/dbraw/zinc/40/35/95/1002403595.db2.gz SPXBHUOCJUSWOT-HXUWFJFHSA-N 1 2 355.482 2.940 20 30 FFEDLO C=CCOC(=O)N1CCC(OC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000790854315 1002501066 /nfs/dbraw/zinc/50/10/66/1002501066.db2.gz CUXAZANIFSXFSF-MRXNPFEDSA-N 1 2 372.465 2.763 20 30 FFEDLO C=CCOC(=O)N1CCC(OC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000790854315 1002501076 /nfs/dbraw/zinc/50/10/76/1002501076.db2.gz CUXAZANIFSXFSF-MRXNPFEDSA-N 1 2 372.465 2.763 20 30 FFEDLO CCO[C@@H](CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110348001 1002545645 /nfs/dbraw/zinc/54/56/45/1002545645.db2.gz PGYCLFZQONVBKJ-YSHGAJCASA-N 1 2 359.445 2.734 20 30 FFEDLO CCO[C@@H](CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110348001 1002545656 /nfs/dbraw/zinc/54/56/56/1002545656.db2.gz PGYCLFZQONVBKJ-YSHGAJCASA-N 1 2 359.445 2.734 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)[nH]n1 ZINC001096822154 1016650426 /nfs/dbraw/zinc/65/04/26/1016650426.db2.gz FJODWLYPLGEQMW-SUMDDJOVSA-N 1 2 367.428 2.518 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)[nH]n1 ZINC001096822154 1016650434 /nfs/dbraw/zinc/65/04/34/1016650434.db2.gz FJODWLYPLGEQMW-SUMDDJOVSA-N 1 2 367.428 2.518 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C)o3)C[C@@]2(C)C1)c1ccccc1 ZINC001092294484 1002709442 /nfs/dbraw/zinc/70/94/42/1002709442.db2.gz UCUBRFKLHQWNPS-LQWHRVPQSA-N 1 2 366.465 2.628 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C)o3)C[C@@]2(C)C1)c1ccccc1 ZINC001092294484 1002709452 /nfs/dbraw/zinc/70/94/52/1002709452.db2.gz UCUBRFKLHQWNPS-LQWHRVPQSA-N 1 2 366.465 2.628 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000791545595 1002735683 /nfs/dbraw/zinc/73/56/83/1002735683.db2.gz HHCAECHBEPTJBZ-IBGZPJMESA-N 1 2 355.401 2.743 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@H](C2CC2)O1 ZINC000791553986 1002738252 /nfs/dbraw/zinc/73/82/52/1002738252.db2.gz QIGLDYKOHIZQHY-VVFCZOMOSA-N 1 2 362.433 2.723 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@H](C2CC2)O1 ZINC000791553986 1002738259 /nfs/dbraw/zinc/73/82/59/1002738259.db2.gz QIGLDYKOHIZQHY-VVFCZOMOSA-N 1 2 362.433 2.723 20 30 FFEDLO C=CCOCCCC(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001092342369 1002756016 /nfs/dbraw/zinc/75/60/16/1002756016.db2.gz YUCAUQOOLIDOQT-RDTXWAMCSA-N 1 2 360.502 2.573 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)c1cocn1 ZINC001096878277 1016669363 /nfs/dbraw/zinc/66/93/63/1016669363.db2.gz VETXCPIVRFJIFS-NUJGCVRESA-N 1 2 355.825 2.715 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)c1cocn1 ZINC001096878277 1016669366 /nfs/dbraw/zinc/66/93/66/1016669366.db2.gz VETXCPIVRFJIFS-NUJGCVRESA-N 1 2 355.825 2.715 20 30 FFEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1C[C@H]1c1ccccc1)c1nccn12 ZINC001092369639 1002785441 /nfs/dbraw/zinc/78/54/41/1002785441.db2.gz HCDJIEWFBCPCEP-FHWLQOOXSA-N 1 2 362.477 2.835 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110360536 1002913329 /nfs/dbraw/zinc/91/33/29/1002913329.db2.gz CWVHPUGNIIZOEJ-KORVSZGISA-N 1 2 371.456 2.734 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110360536 1002913334 /nfs/dbraw/zinc/91/33/34/1002913334.db2.gz CWVHPUGNIIZOEJ-KORVSZGISA-N 1 2 371.456 2.734 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110366320 1003016992 /nfs/dbraw/zinc/01/69/92/1003016992.db2.gz PGNKGDRDDFETBI-JRJVTICQSA-N 1 2 371.456 2.900 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110366320 1003016999 /nfs/dbraw/zinc/01/69/99/1003016999.db2.gz PGNKGDRDDFETBI-JRJVTICQSA-N 1 2 371.456 2.900 20 30 FFEDLO CCc1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001096902578 1016714037 /nfs/dbraw/zinc/71/40/37/1016714037.db2.gz VGURSHPOZSYUQQ-OIISXLGYSA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001096902578 1016714050 /nfs/dbraw/zinc/71/40/50/1016714050.db2.gz VGURSHPOZSYUQQ-OIISXLGYSA-N 1 2 368.412 2.783 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001110369205 1003072165 /nfs/dbraw/zinc/07/21/65/1003072165.db2.gz AYDYCGRVANHRIF-CVEARBPZSA-N 1 2 356.470 2.704 20 30 FFEDLO N#CCOc1ccccc1Nc1ccc(N2CC[NH+](C3COC3)CC2)cc1 ZINC001212602856 1003149526 /nfs/dbraw/zinc/14/95/26/1003149526.db2.gz VOEQJOVZOFGWQL-UHFFFAOYSA-N 1 2 364.449 2.853 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](CNc2[nH+]c(C)nc(-n3cccn3)c2C)[C@H](C)C1 ZINC001092634427 1003264727 /nfs/dbraw/zinc/26/47/27/1003264727.db2.gz WHGZHBXXLUUEMM-RHSMWYFYSA-N 1 2 368.485 2.752 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@@H](CNc2ncnc3c2C[N@H+](C)CC3)[C@H](C)C1 ZINC001092672617 1003395090 /nfs/dbraw/zinc/39/50/90/1003395090.db2.gz GRDWKJCHHIGNRD-BRWVUGGUSA-N 1 2 371.529 2.573 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@@H](CNc2ncnc3c2C[N@@H+](C)CC3)[C@H](C)C1 ZINC001092672617 1003395098 /nfs/dbraw/zinc/39/50/98/1003395098.db2.gz GRDWKJCHHIGNRD-BRWVUGGUSA-N 1 2 371.529 2.573 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001092813152 1003603445 /nfs/dbraw/zinc/60/34/45/1003603445.db2.gz RPRXANAAFUJHJZ-SQNIBIBYSA-N 1 2 358.486 2.611 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1)OCC ZINC001092887468 1003664987 /nfs/dbraw/zinc/66/49/87/1003664987.db2.gz FDXPJCIDWYXYIV-OWSLCNJRSA-N 1 2 372.513 2.945 20 30 FFEDLO CCc1ccc([C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C)CC[NH2+]2)cc1 ZINC001196229720 1003722710 /nfs/dbraw/zinc/72/27/10/1003722710.db2.gz TVDOSUCCEHUWRJ-LJQANCHMSA-N 1 2 369.490 2.764 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3ccc(F)cc3C#N)C2)CC1 ZINC000804835599 1003869233 /nfs/dbraw/zinc/86/92/33/1003869233.db2.gz SQRBYACLRPHAAQ-QGZVFWFLSA-N 1 2 374.460 2.829 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(Br)cc2)C[C@H]1O ZINC001191734423 1003941671 /nfs/dbraw/zinc/94/16/71/1003941671.db2.gz QHRDQFORUGWLIX-DAXOMENPSA-N 1 2 367.287 2.638 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(Br)cc2)C[C@H]1O ZINC001191734423 1003941679 /nfs/dbraw/zinc/94/16/79/1003941679.db2.gz QHRDQFORUGWLIX-DAXOMENPSA-N 1 2 367.287 2.638 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(F)cn2)C3)ccc1F ZINC001096987930 1016839781 /nfs/dbraw/zinc/83/97/81/1016839781.db2.gz HXZBJDWHQXVAMY-LZQZEXGQSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(F)cn2)C3)ccc1F ZINC001096987930 1016839796 /nfs/dbraw/zinc/83/97/96/1016839796.db2.gz HXZBJDWHQXVAMY-LZQZEXGQSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1cc(F)c(C(=O)N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)c(F)c1 ZINC001191927814 1003998847 /nfs/dbraw/zinc/99/88/47/1003998847.db2.gz MGWFXPIBQZRWCR-GOSISDBHSA-N 1 2 353.372 2.892 20 30 FFEDLO N#Cc1cc(F)c(C(=O)N2CC[N@H+]3CCc4ccccc4[C@H]3C2)c(F)c1 ZINC001191927814 1003998854 /nfs/dbraw/zinc/99/88/54/1003998854.db2.gz MGWFXPIBQZRWCR-GOSISDBHSA-N 1 2 353.372 2.892 20 30 FFEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC001197031177 1004053850 /nfs/dbraw/zinc/05/38/50/1004053850.db2.gz ILFQLTTUOKTCCT-MSOLQXFVSA-N 1 2 362.477 2.946 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@H]1O ZINC001192374795 1004146533 /nfs/dbraw/zinc/14/65/33/1004146533.db2.gz KNPSNRUZEVHUDZ-MORSLUCNSA-N 1 2 366.864 2.895 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@H]1O ZINC001192374795 1004146538 /nfs/dbraw/zinc/14/65/38/1004146538.db2.gz KNPSNRUZEVHUDZ-MORSLUCNSA-N 1 2 366.864 2.895 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2O)CC1 ZINC001197710799 1004333593 /nfs/dbraw/zinc/33/35/93/1004333593.db2.gz CYGBRCZPMJWEJA-UHFFFAOYSA-N 1 2 352.434 2.915 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cccc(C)c1C ZINC001110496699 1004416013 /nfs/dbraw/zinc/41/60/13/1004416013.db2.gz CCAUGMZVBDLTOV-RLLQIKCJSA-N 1 2 367.493 2.767 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cccc(C)c1C ZINC001110496699 1004416018 /nfs/dbraw/zinc/41/60/18/1004416018.db2.gz CCAUGMZVBDLTOV-RLLQIKCJSA-N 1 2 367.493 2.767 20 30 FFEDLO COC1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)CCC1 ZINC001110498617 1004431360 /nfs/dbraw/zinc/43/13/60/1004431360.db2.gz WSVQCPJCPDXOIR-QRQLOZEOSA-N 1 2 371.456 2.878 20 30 FFEDLO COC1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)CCC1 ZINC001110498617 1004431367 /nfs/dbraw/zinc/43/13/67/1004431367.db2.gz WSVQCPJCPDXOIR-QRQLOZEOSA-N 1 2 371.456 2.878 20 30 FFEDLO CC[C@@H](C)CCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001193320190 1004450886 /nfs/dbraw/zinc/45/08/86/1004450886.db2.gz OEEFSFHGFPSUBC-HMXCVIKNSA-N 1 2 356.510 2.806 20 30 FFEDLO CC[C@@H](C)CCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001193320190 1004450889 /nfs/dbraw/zinc/45/08/89/1004450889.db2.gz OEEFSFHGFPSUBC-HMXCVIKNSA-N 1 2 356.510 2.806 20 30 FFEDLO COc1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C#N ZINC000747430467 1004709673 /nfs/dbraw/zinc/70/96/73/1004709673.db2.gz BGNAIAFNLDQGIB-PBHICJAKSA-N 1 2 353.426 2.556 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)C1CC1 ZINC001110518492 1004734194 /nfs/dbraw/zinc/73/41/94/1004734194.db2.gz PNCZALNXDNOGTI-ZRNYENFQSA-N 1 2 372.896 2.838 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)C1CC1 ZINC001110518492 1004734198 /nfs/dbraw/zinc/73/41/98/1004734198.db2.gz PNCZALNXDNOGTI-ZRNYENFQSA-N 1 2 372.896 2.838 20 30 FFEDLO CCCCC[C@H](CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001198917505 1004778112 /nfs/dbraw/zinc/77/81/12/1004778112.db2.gz KKCMBOBLUBCFHZ-BMGDILEWSA-N 1 2 363.527 2.888 20 30 FFEDLO CCCCC[C@H](CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001198917505 1004778115 /nfs/dbraw/zinc/77/81/15/1004778115.db2.gz KKCMBOBLUBCFHZ-BMGDILEWSA-N 1 2 363.527 2.888 20 30 FFEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CC[C@@H](C)O1)c1ccccc1OC ZINC001198909054 1004791281 /nfs/dbraw/zinc/79/12/81/1004791281.db2.gz VLFKIVQKBOKXLE-FRFSOERESA-N 1 2 352.862 2.762 20 30 FFEDLO CCCCCCCCCOC(=O)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001194920611 1004843773 /nfs/dbraw/zinc/84/37/73/1004843773.db2.gz KFZKCQZWBNFJEU-MRXNPFEDSA-N 1 2 353.463 2.981 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3c2cc(F)cc3F)C[C@H]1O ZINC001195254789 1004924444 /nfs/dbraw/zinc/92/44/44/1004924444.db2.gz HODINKIRAVEHPL-KZNAEPCWSA-N 1 2 364.436 2.716 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3c2cc(F)cc3F)C[C@H]1O ZINC001195254789 1004924450 /nfs/dbraw/zinc/92/44/50/1004924450.db2.gz HODINKIRAVEHPL-KZNAEPCWSA-N 1 2 364.436 2.716 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@H]1O ZINC001195333341 1004950254 /nfs/dbraw/zinc/95/02/54/1004950254.db2.gz GIBXURAAXXVTHC-HFBAOOFYSA-N 1 2 354.853 2.914 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@H]1O ZINC001195333341 1004950261 /nfs/dbraw/zinc/95/02/61/1004950261.db2.gz GIBXURAAXXVTHC-HFBAOOFYSA-N 1 2 354.853 2.914 20 30 FFEDLO CC(C)=C(C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001195380636 1004956648 /nfs/dbraw/zinc/95/66/48/1004956648.db2.gz NNSVEYWTWSKTSK-RTBURBONSA-N 1 2 360.885 2.599 20 30 FFEDLO CC(C)=C(C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001195380636 1004956652 /nfs/dbraw/zinc/95/66/52/1004956652.db2.gz NNSVEYWTWSKTSK-RTBURBONSA-N 1 2 360.885 2.599 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3ccccn13)C2 ZINC001095652093 1016927391 /nfs/dbraw/zinc/92/73/91/1016927391.db2.gz DJCLVOQOHKXHGE-QYZOEREBSA-N 1 2 371.444 2.741 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3ccccn13)C2 ZINC001095652093 1016927399 /nfs/dbraw/zinc/92/73/99/1016927399.db2.gz DJCLVOQOHKXHGE-QYZOEREBSA-N 1 2 371.444 2.741 20 30 FFEDLO CCN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)C)C2)C1CCCCC1 ZINC001110537905 1004989276 /nfs/dbraw/zinc/98/92/76/1004989276.db2.gz DIRSTWSBSWPBAL-AQNXPRMDSA-N 1 2 373.541 2.549 20 30 FFEDLO CCN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)C)C2)C1CCCCC1 ZINC001110537905 1004989279 /nfs/dbraw/zinc/98/92/79/1004989279.db2.gz DIRSTWSBSWPBAL-AQNXPRMDSA-N 1 2 373.541 2.549 20 30 FFEDLO COc1ccc(Cl)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110541367 1005009993 /nfs/dbraw/zinc/00/99/93/1005009993.db2.gz GXZYLIUQMDCLJD-KURKYZTESA-N 1 2 358.869 2.984 20 30 FFEDLO COc1ccc(Cl)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110541367 1005009998 /nfs/dbraw/zinc/00/99/98/1005009998.db2.gz GXZYLIUQMDCLJD-KURKYZTESA-N 1 2 358.869 2.984 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001195899691 1005062919 /nfs/dbraw/zinc/06/29/19/1005062919.db2.gz BQAXAIMWHOJKCE-HSALFYBXSA-N 1 2 373.541 2.548 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001195899691 1005062922 /nfs/dbraw/zinc/06/29/22/1005062922.db2.gz BQAXAIMWHOJKCE-HSALFYBXSA-N 1 2 373.541 2.548 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ncc(C(C)(C)C)o1 ZINC001110550896 1005095063 /nfs/dbraw/zinc/09/50/63/1005095063.db2.gz JCSPJHZFCRYZQL-VQHPVUNQSA-N 1 2 373.497 2.795 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ncc(C(C)(C)C)o1 ZINC001110550896 1005095065 /nfs/dbraw/zinc/09/50/65/1005095065.db2.gz JCSPJHZFCRYZQL-VQHPVUNQSA-N 1 2 373.497 2.795 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(F)C(F)(F)F)C3)c1 ZINC001110579912 1005342272 /nfs/dbraw/zinc/34/22/72/1005342272.db2.gz OTDZHPXMUUARGK-APIJFGDWSA-N 1 2 355.335 2.680 20 30 FFEDLO N#Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(F)C(F)(F)F)C3)c1 ZINC001110579912 1005342274 /nfs/dbraw/zinc/34/22/74/1005342274.db2.gz OTDZHPXMUUARGK-APIJFGDWSA-N 1 2 355.335 2.680 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1scc(C)c1Cl)C2 ZINC001110589004 1005366223 /nfs/dbraw/zinc/36/62/23/1005366223.db2.gz WDNWVRZWWYSTSS-MCIONIFRSA-N 1 2 352.887 2.695 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1scc(C)c1Cl)C2 ZINC001110589004 1005366224 /nfs/dbraw/zinc/36/62/24/1005366224.db2.gz WDNWVRZWWYSTSS-MCIONIFRSA-N 1 2 352.887 2.695 20 30 FFEDLO CCc1nc(C[NH2+]CCC[C@@H]2[C@H](C)CCCN2C(=O)C#CC(C)C)no1 ZINC001489064312 1005402759 /nfs/dbraw/zinc/40/27/59/1005402759.db2.gz XMRLYUULKPKFIH-IAGOWNOFSA-N 1 2 360.502 2.788 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccoc2)C1 ZINC001489095939 1005407195 /nfs/dbraw/zinc/40/71/95/1005407195.db2.gz CYJXXUPFEQACEO-WOJBJXKFSA-N 1 2 370.424 2.656 20 30 FFEDLO COCC#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccoc2)C1 ZINC001489095939 1005407197 /nfs/dbraw/zinc/40/71/97/1005407197.db2.gz CYJXXUPFEQACEO-WOJBJXKFSA-N 1 2 370.424 2.656 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2nnc(C)n2C2CC2)[C@@H]1CC ZINC001489134300 1005420213 /nfs/dbraw/zinc/42/02/13/1005420213.db2.gz RYEQZBWDVJAGSP-DLBZAZTESA-N 1 2 359.518 2.993 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2nnc(C)n2C2CC2)[C@@H]1CC ZINC001489134300 1005420215 /nfs/dbraw/zinc/42/02/15/1005420215.db2.gz RYEQZBWDVJAGSP-DLBZAZTESA-N 1 2 359.518 2.993 20 30 FFEDLO Cc1ccc(-c2cnc(C[N@H+]3CC[C@H](NC(=O)[C@H](C)C#N)[C@H]3C)o2)cc1 ZINC001489255517 1005440414 /nfs/dbraw/zinc/44/04/14/1005440414.db2.gz HFAZFQVGCPWCQH-INMHGKMJSA-N 1 2 352.438 2.889 20 30 FFEDLO Cc1ccc(-c2cnc(C[N@@H+]3CC[C@H](NC(=O)[C@H](C)C#N)[C@H]3C)o2)cc1 ZINC001489255517 1005440415 /nfs/dbraw/zinc/44/04/15/1005440415.db2.gz HFAZFQVGCPWCQH-INMHGKMJSA-N 1 2 352.438 2.889 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2c(C)cc(C)cc2C)[C@@H]1C ZINC001489262596 1005442855 /nfs/dbraw/zinc/44/28/55/1005442855.db2.gz ZLPKFRDSRCMWCG-MOPGFXCFSA-N 1 2 369.509 2.933 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2c(C)cc(C)cc2C)[C@@H]1C ZINC001489262596 1005442856 /nfs/dbraw/zinc/44/28/56/1005442856.db2.gz ZLPKFRDSRCMWCG-MOPGFXCFSA-N 1 2 369.509 2.933 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001489880253 1005556360 /nfs/dbraw/zinc/55/63/60/1005556360.db2.gz IPFHWNORBVHHBB-YLFCFFPRSA-N 1 2 372.513 2.527 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)o1)OCC ZINC001110612582 1005719144 /nfs/dbraw/zinc/71/91/44/1005719144.db2.gz IMIUVOASTFUVPK-BDXSIMOUSA-N 1 2 361.486 2.884 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)o1)OCC ZINC001110612582 1005719146 /nfs/dbraw/zinc/71/91/46/1005719146.db2.gz IMIUVOASTFUVPK-BDXSIMOUSA-N 1 2 361.486 2.884 20 30 FFEDLO C=C1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C3)CC1 ZINC001490616116 1005745689 /nfs/dbraw/zinc/74/56/89/1005745689.db2.gz XKIJVULXEVIART-YSHGAJCASA-N 1 2 370.497 2.829 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1C(C)(C)C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110630977 1005876975 /nfs/dbraw/zinc/87/69/75/1005876975.db2.gz CPEOBMONUIJFIE-QZTJIDSGSA-N 1 2 354.498 2.898 20 30 FFEDLO C[C@@]1(C2CC2)C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000852323249 1005976622 /nfs/dbraw/zinc/97/66/22/1005976622.db2.gz YAFREQIYLBVJDY-IERDGZPVSA-N 1 2 362.433 2.725 20 30 FFEDLO C[C@@]1(C2CC2)C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000852323249 1005976625 /nfs/dbraw/zinc/97/66/25/1005976625.db2.gz YAFREQIYLBVJDY-IERDGZPVSA-N 1 2 362.433 2.725 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3CC)C[C@H]21 ZINC001187209668 1005979957 /nfs/dbraw/zinc/97/99/57/1005979957.db2.gz NGGDKMHPMVJRME-PKOBYXMFSA-N 1 2 355.482 2.686 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccccc3CC)C[C@H]21 ZINC001187209668 1005979962 /nfs/dbraw/zinc/97/99/62/1005979962.db2.gz NGGDKMHPMVJRME-PKOBYXMFSA-N 1 2 355.482 2.686 20 30 FFEDLO CC[C@H]1COCC[N@@H+]1CCNc1nccc(Oc2cccc(C#N)c2)n1 ZINC001187525335 1006129153 /nfs/dbraw/zinc/12/91/53/1006129153.db2.gz MTHXPYRHEOQUIY-INIZCTEOSA-N 1 2 353.426 2.663 20 30 FFEDLO CC[C@H]1COCC[N@H+]1CCNc1nccc(Oc2cccc(C#N)c2)n1 ZINC001187525335 1006129158 /nfs/dbraw/zinc/12/91/58/1006129158.db2.gz MTHXPYRHEOQUIY-INIZCTEOSA-N 1 2 353.426 2.663 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2SC[C@H](O)C(F)(F)F)CC1 ZINC001187788084 1006263538 /nfs/dbraw/zinc/26/35/38/1006263538.db2.gz GENJRGRRGSRXMA-HNNXBMFYSA-N 1 2 374.428 2.646 20 30 FFEDLO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C#CC(C)C)[C@@H]2C1 ZINC001187827425 1006284415 /nfs/dbraw/zinc/28/44/15/1006284415.db2.gz IECFIXXYJSGSCB-WSTZPKSXSA-N 1 2 367.493 2.514 20 30 FFEDLO Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C#CC(C)C)[C@@H]2C1 ZINC001187827425 1006284426 /nfs/dbraw/zinc/28/44/26/1006284426.db2.gz IECFIXXYJSGSCB-WSTZPKSXSA-N 1 2 367.493 2.514 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3nncn3-c3ccccc3)C[C@H]21 ZINC001188080913 1006400538 /nfs/dbraw/zinc/40/05/38/1006400538.db2.gz PMHQTGACAVIUAG-PKOBYXMFSA-N 1 2 365.481 2.656 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3nncn3-c3ccccc3)C[C@H]21 ZINC001188080913 1006400541 /nfs/dbraw/zinc/40/05/41/1006400541.db2.gz PMHQTGACAVIUAG-PKOBYXMFSA-N 1 2 365.481 2.656 20 30 FFEDLO CCOC(=O)N1CCC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000748295389 1017048824 /nfs/dbraw/zinc/04/88/24/1017048824.db2.gz GYXRQJWJODEQDE-UHFFFAOYSA-N 1 2 353.426 2.543 20 30 FFEDLO CCOC(=O)N1CCC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000748295389 1017048838 /nfs/dbraw/zinc/04/88/38/1017048838.db2.gz GYXRQJWJODEQDE-UHFFFAOYSA-N 1 2 353.426 2.543 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(C)n3C3CC3)C[C@H]21 ZINC001188057343 1006414353 /nfs/dbraw/zinc/41/43/53/1006414353.db2.gz ZEXUFCMNWRPBLR-DOTOQJQBSA-N 1 2 357.502 2.556 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](Cc3nnc(C)n3C3CC3)C[C@H]21 ZINC001188057343 1006414359 /nfs/dbraw/zinc/41/43/59/1006414359.db2.gz ZEXUFCMNWRPBLR-DOTOQJQBSA-N 1 2 357.502 2.556 20 30 FFEDLO COC[C@@H](CO[NH+]=C(N)c1ccc(COc2ccccc2F)cc1)OC ZINC000853659076 1006495640 /nfs/dbraw/zinc/49/56/40/1006495640.db2.gz ZOQSRIHBRURLMF-INIZCTEOSA-N 1 2 362.401 2.703 20 30 FFEDLO C#CCCN(CCOC)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000853885570 1006570818 /nfs/dbraw/zinc/57/08/18/1006570818.db2.gz OPXHBCHCGMTYDV-FQEVSTJZSA-N 1 2 368.481 2.923 20 30 FFEDLO Cn1cc(-c2cc3c(nn2)CC[N@H+](CC#Cc2ccc(Cl)cc2)C3)cn1 ZINC000854126951 1006695532 /nfs/dbraw/zinc/69/55/32/1006695532.db2.gz IVFYPVURDFWNPK-UHFFFAOYSA-N 1 2 363.852 2.940 20 30 FFEDLO Cn1cc(-c2cc3c(nn2)CC[N@@H+](CC#Cc2ccc(Cl)cc2)C3)cn1 ZINC000854126951 1006695536 /nfs/dbraw/zinc/69/55/36/1006695536.db2.gz IVFYPVURDFWNPK-UHFFFAOYSA-N 1 2 363.852 2.940 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(-c2ccccc2)o1 ZINC001110401939 1006715705 /nfs/dbraw/zinc/71/57/05/1006715705.db2.gz SCLIPYGRFJQVKU-SVGFKBNWSA-N 1 2 350.422 2.723 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(-c2ccccc2)o1 ZINC001110401939 1006715715 /nfs/dbraw/zinc/71/57/15/1006715715.db2.gz SCLIPYGRFJQVKU-SVGFKBNWSA-N 1 2 350.422 2.723 20 30 FFEDLO C#Cc1cccc(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2Cc2ccccc2)c1 ZINC000854263034 1006747818 /nfs/dbraw/zinc/74/78/18/1006747818.db2.gz SCJGTMBOTGCCSE-OAQYLSRUSA-N 1 2 362.477 2.606 20 30 FFEDLO C#Cc1cccc(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2Cc2ccccc2)c1 ZINC000854263034 1006747831 /nfs/dbraw/zinc/74/78/31/1006747831.db2.gz SCJGTMBOTGCCSE-OAQYLSRUSA-N 1 2 362.477 2.606 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4ccoc4)no3)C[C@H]21 ZINC001188909522 1006799910 /nfs/dbraw/zinc/79/99/10/1006799910.db2.gz UELZRUJDKAQIJR-YQQAZPJKSA-N 1 2 370.453 2.965 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4ccoc4)no3)C[C@H]21 ZINC001188909522 1006799921 /nfs/dbraw/zinc/79/99/21/1006799921.db2.gz UELZRUJDKAQIJR-YQQAZPJKSA-N 1 2 370.453 2.965 20 30 FFEDLO N#Cc1cccc(OCC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c1 ZINC000854412048 1006817475 /nfs/dbraw/zinc/81/74/75/1006817475.db2.gz GYUVTJGACJXUSE-UHFFFAOYSA-N 1 2 370.478 2.558 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccc(OC)cc3)C[C@H]21 ZINC001188999144 1006839677 /nfs/dbraw/zinc/83/96/77/1006839677.db2.gz FERSWTICWPMMQC-QFBILLFUSA-N 1 2 371.481 2.523 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccc(OC)cc3)C[C@H]21 ZINC001188999144 1006839697 /nfs/dbraw/zinc/83/96/97/1006839697.db2.gz FERSWTICWPMMQC-QFBILLFUSA-N 1 2 371.481 2.523 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3cn(-c4ccccc4)nn3)C[C@H]21 ZINC001189006268 1006843260 /nfs/dbraw/zinc/84/32/60/1006843260.db2.gz AYENIEYOBWCULY-FXAWDEMLSA-N 1 2 365.481 2.656 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cn(-c4ccccc4)nn3)C[C@H]21 ZINC001189006268 1006843264 /nfs/dbraw/zinc/84/32/64/1006843264.db2.gz AYENIEYOBWCULY-FXAWDEMLSA-N 1 2 365.481 2.656 20 30 FFEDLO COc1ccc(C#N)cc1NCc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001202715332 1007360381 /nfs/dbraw/zinc/36/03/81/1007360381.db2.gz HXFUSYRHKUDKTI-UHFFFAOYSA-N 1 2 367.449 2.890 20 30 FFEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc2c(c1)CC(=O)N2C ZINC000775352054 1007446031 /nfs/dbraw/zinc/44/60/31/1007446031.db2.gz NRCKJVGPJFWHQR-ZDUSSCGKSA-N 1 2 373.416 2.978 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1noc2c1CCCC2 ZINC001110423935 1007517649 /nfs/dbraw/zinc/51/76/49/1007517649.db2.gz BIOTWNKDAMYJIK-SUMDDJOVSA-N 1 2 373.497 2.758 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1noc2c1CCCC2 ZINC001110423935 1007517658 /nfs/dbraw/zinc/51/76/58/1007517658.db2.gz BIOTWNKDAMYJIK-SUMDDJOVSA-N 1 2 373.497 2.758 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)nc1 ZINC001110424552 1007521685 /nfs/dbraw/zinc/52/16/85/1007521685.db2.gz QOSOGLPRNQLQFC-ZACQAIPSSA-N 1 2 363.889 2.939 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)nc1 ZINC001110424552 1007521691 /nfs/dbraw/zinc/52/16/91/1007521691.db2.gz QOSOGLPRNQLQFC-ZACQAIPSSA-N 1 2 363.889 2.939 20 30 FFEDLO COc1ccccc1Cn1c[nH+]cc1CNC(=O)c1cccc(C#N)c1F ZINC001190555324 1007695793 /nfs/dbraw/zinc/69/57/93/1007695793.db2.gz VPVUWFKXFBBHIV-UHFFFAOYSA-N 1 2 364.380 2.881 20 30 FFEDLO CCCCCCCCNC(=O)N[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001191081745 1007884900 /nfs/dbraw/zinc/88/49/00/1007884900.db2.gz YIYVGLXYMNGVPE-INIZCTEOSA-N 1 2 352.479 2.554 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2F)C[C@H]1C ZINC001206479876 1032305725 /nfs/dbraw/zinc/30/57/25/1032305725.db2.gz YXEMFSNBWWAVJZ-QWQRMKEZSA-N 1 2 352.425 2.883 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)C[C@H]1C ZINC001206479876 1032305737 /nfs/dbraw/zinc/30/57/37/1032305737.db2.gz YXEMFSNBWWAVJZ-QWQRMKEZSA-N 1 2 352.425 2.883 20 30 FFEDLO C#C[C@H](NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C1CCOCC1 ZINC000820919622 1008386565 /nfs/dbraw/zinc/38/65/65/1008386565.db2.gz UOIBYHLVBODCNX-JXFKEZNVSA-N 1 2 371.481 2.630 20 30 FFEDLO C=CCNC(=O)c1ccc(-c2cc(C[NH+]3CCOCC3)ccc2OC)nc1 ZINC001206496418 1032314406 /nfs/dbraw/zinc/31/44/06/1032314406.db2.gz IDVCYDAZDQTGQB-UHFFFAOYSA-N 1 2 367.449 2.505 20 30 FFEDLO C#CC[C@@H](COC)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000859030765 1008467559 /nfs/dbraw/zinc/46/75/59/1008467559.db2.gz AAPTWMGUHLEJAE-HKUYNNGSSA-N 1 2 354.454 2.579 20 30 FFEDLO COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000821619998 1008480748 /nfs/dbraw/zinc/48/07/48/1008480748.db2.gz UXGPDEJSDFZYRF-LJQANCHMSA-N 1 2 374.400 2.901 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccc(F)c(F)c1)C2 ZINC001111508965 1008489290 /nfs/dbraw/zinc/48/92/90/1008489290.db2.gz NJAPILXBNZARKO-LYRGGWFBSA-N 1 2 356.800 2.818 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccc(F)c(F)c1)C2 ZINC001111508965 1008489293 /nfs/dbraw/zinc/48/92/93/1008489293.db2.gz NJAPILXBNZARKO-LYRGGWFBSA-N 1 2 356.800 2.818 20 30 FFEDLO C[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000859228123 1008490332 /nfs/dbraw/zinc/49/03/32/1008490332.db2.gz PBPKVKWURQKTJX-SJORKVTESA-N 1 2 355.482 2.595 20 30 FFEDLO Cc1nscc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095335999 1008615728 /nfs/dbraw/zinc/61/57/28/1008615728.db2.gz KAAMNXXFRXXWOJ-JLSDUUJJSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1nscc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095335999 1008615730 /nfs/dbraw/zinc/61/57/30/1008615730.db2.gz KAAMNXXFRXXWOJ-JLSDUUJJSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1cc(F)ccc1N(CC#N)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000886419787 1008674273 /nfs/dbraw/zinc/67/42/73/1008674273.db2.gz KRAIXTSFXLGHPP-UHFFFAOYSA-N 1 2 373.453 2.841 20 30 FFEDLO Cc1cc(F)ccc1N(CC#N)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000886419787 1008674283 /nfs/dbraw/zinc/67/42/83/1008674283.db2.gz KRAIXTSFXLGHPP-UHFFFAOYSA-N 1 2 373.453 2.841 20 30 FFEDLO C#CC[N@H+](Cc1cn(CC2CC2)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426106 1008675960 /nfs/dbraw/zinc/67/59/60/1008675960.db2.gz IMCPBCPZQJOCKX-UHFFFAOYSA-N 1 2 373.501 2.523 20 30 FFEDLO C#CC[N@@H+](Cc1cn(CC2CC2)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426106 1008675966 /nfs/dbraw/zinc/67/59/66/1008675966.db2.gz IMCPBCPZQJOCKX-UHFFFAOYSA-N 1 2 373.501 2.523 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2csc(-c3cccs3)n2)C[C@H]1C ZINC001206659013 1032377171 /nfs/dbraw/zinc/37/71/71/1032377171.db2.gz APNHVMVNROPRSX-OUCADQQQSA-N 1 2 360.508 2.968 20 30 FFEDLO C#CC[C@@H](CCOC)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000860608343 1009080284 /nfs/dbraw/zinc/08/02/84/1009080284.db2.gz AGXVCYOSBIKZSS-AEFFLSMTSA-N 1 2 359.470 2.630 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2csc(-c3cccs3)n2)C[C@H]1C ZINC001206659013 1032377178 /nfs/dbraw/zinc/37/71/78/1032377178.db2.gz APNHVMVNROPRSX-OUCADQQQSA-N 1 2 360.508 2.968 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)C(=O)C(C)(C)C ZINC001206670785 1032380787 /nfs/dbraw/zinc/38/07/87/1032380787.db2.gz SPDRGRPXBTUUQA-RHSMWYFYSA-N 1 2 360.885 2.743 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)C(=O)C(C)(C)C ZINC001206670785 1032380801 /nfs/dbraw/zinc/38/08/01/1032380801.db2.gz SPDRGRPXBTUUQA-RHSMWYFYSA-N 1 2 360.885 2.743 20 30 FFEDLO C#C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000825559406 1009488210 /nfs/dbraw/zinc/48/82/10/1009488210.db2.gz ZUHNUSPPOVAYFE-OAQYLSRUSA-N 1 2 363.461 2.693 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccnn3-c3ccc(F)cc3)CC2)cn1 ZINC000862422058 1009834659 /nfs/dbraw/zinc/83/46/59/1009834659.db2.gz PKEAJCODNWRREV-UHFFFAOYSA-N 1 2 362.412 2.600 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(C)=O)C2 ZINC001110285887 1010536629 /nfs/dbraw/zinc/53/66/29/1010536629.db2.gz GNOXBGSGUGSTPH-QRVBRYPASA-N 1 2 369.465 2.548 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(C)=O)C2 ZINC001110285887 1010536641 /nfs/dbraw/zinc/53/66/41/1010536641.db2.gz GNOXBGSGUGSTPH-QRVBRYPASA-N 1 2 369.465 2.548 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)c(C=O)c3)CC2)cc1 ZINC000864658808 1010544808 /nfs/dbraw/zinc/54/48/08/1010544808.db2.gz QFBMBTYBCNSBLY-UHFFFAOYSA-N 1 2 365.408 2.858 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)c(C=O)c3)CC2)cc1 ZINC000864658808 1010544812 /nfs/dbraw/zinc/54/48/12/1010544812.db2.gz QFBMBTYBCNSBLY-UHFFFAOYSA-N 1 2 365.408 2.858 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(C(F)F)n1)C2 ZINC001097143444 1017097764 /nfs/dbraw/zinc/09/77/64/1017097764.db2.gz NRRZNZDWSYXHFU-OIISXLGYSA-N 1 2 371.391 2.685 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(C(F)F)n1)C2 ZINC001097143444 1017097778 /nfs/dbraw/zinc/09/77/78/1017097778.db2.gz NRRZNZDWSYXHFU-OIISXLGYSA-N 1 2 371.391 2.685 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(F)c3)o2)C[C@H]1C ZINC001206911629 1032493146 /nfs/dbraw/zinc/49/31/46/1032493146.db2.gz WNXJRWOFZXKKLM-RHSMWYFYSA-N 1 2 370.428 2.616 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3cccc(F)c3)o2)C[C@H]1C ZINC001206911629 1032493150 /nfs/dbraw/zinc/49/31/50/1032493150.db2.gz WNXJRWOFZXKKLM-RHSMWYFYSA-N 1 2 370.428 2.616 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2coc(-c3cccs3)n2)C[C@H]1C ZINC001206939399 1032513251 /nfs/dbraw/zinc/51/32/51/1032513251.db2.gz CRGCCIUTIBCDDK-GDBMZVCRSA-N 1 2 357.479 2.999 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2coc(-c3cccs3)n2)C[C@H]1C ZINC001206939399 1032513255 /nfs/dbraw/zinc/51/32/55/1032513255.db2.gz CRGCCIUTIBCDDK-GDBMZVCRSA-N 1 2 357.479 2.999 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc3ccccc13)C2 ZINC001110868609 1011283611 /nfs/dbraw/zinc/28/36/11/1011283611.db2.gz MBJNEPYEOJFLKO-XYPHTWIQSA-N 1 2 369.490 2.539 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc3ccccc13)C2 ZINC001110868609 1011283623 /nfs/dbraw/zinc/28/36/23/1011283623.db2.gz MBJNEPYEOJFLKO-XYPHTWIQSA-N 1 2 369.490 2.539 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1nc(C(C)C)no1)C2 ZINC001110878576 1011312651 /nfs/dbraw/zinc/31/26/51/1011312651.db2.gz XALUHNXTDVPWIH-MCIONIFRSA-N 1 2 352.866 2.600 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1nc(C(C)C)no1)C2 ZINC001110878576 1011312666 /nfs/dbraw/zinc/31/26/66/1011312666.db2.gz XALUHNXTDVPWIH-MCIONIFRSA-N 1 2 352.866 2.600 20 30 FFEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)C[C@@H](C#N)c3c(Cl)cccc3Cl)C[C@@H]21 ZINC001274445176 1011447157 /nfs/dbraw/zinc/44/71/57/1011447157.db2.gz OLRCCDNFUFYYAP-CQDKDKBSSA-N 1 2 368.264 2.532 20 30 FFEDLO C[N@H+]1CCO[C@H]2CN(C(=O)C[C@@H](C#N)c3c(Cl)cccc3Cl)C[C@@H]21 ZINC001274445176 1011447163 /nfs/dbraw/zinc/44/71/63/1011447163.db2.gz OLRCCDNFUFYYAP-CQDKDKBSSA-N 1 2 368.264 2.532 20 30 FFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 ZINC000795035385 1011454167 /nfs/dbraw/zinc/45/41/67/1011454167.db2.gz WNHHZMMVJHMEBX-GUDVDZBRSA-N 1 2 372.465 2.741 20 30 FFEDLO O=C(c1ccccc1)N1CCC[C@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001171887210 1011521007 /nfs/dbraw/zinc/52/10/07/1011521007.db2.gz GTGSBNGAFDRZCU-ROUUACIJSA-N 1 2 356.491 2.955 20 30 FFEDLO O=C(c1ccccc1)N1CCC[C@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001171887210 1011521021 /nfs/dbraw/zinc/52/10/21/1011521021.db2.gz GTGSBNGAFDRZCU-ROUUACIJSA-N 1 2 356.491 2.955 20 30 FFEDLO COC(=O)[C@H]1C[C@@H]([N@@H+]2CC[C@](C)(C#N)C2)C[C@H]1C(=O)OCc1ccccc1 ZINC001172277678 1011712998 /nfs/dbraw/zinc/71/29/98/1011712998.db2.gz WDBZNHNKHQDUPE-BMQTXXJKSA-N 1 2 370.449 2.533 20 30 FFEDLO COC(=O)[C@H]1C[C@@H]([N@H+]2CC[C@](C)(C#N)C2)C[C@H]1C(=O)OCc1ccccc1 ZINC001172277678 1011713011 /nfs/dbraw/zinc/71/30/11/1011713011.db2.gz WDBZNHNKHQDUPE-BMQTXXJKSA-N 1 2 370.449 2.533 20 30 FFEDLO N#Cc1ncc(Br)cc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212665620 1011851010 /nfs/dbraw/zinc/85/10/10/1011851010.db2.gz XSFYIRRICPWULW-UHFFFAOYSA-N 1 2 359.227 2.636 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C(F)(F)F)nn2)C1=O ZINC001275142413 1011989331 /nfs/dbraw/zinc/98/93/31/1011989331.db2.gz MLDNPVUCLFYCKS-INIZCTEOSA-N 1 2 354.376 2.638 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C(F)(F)F)nn2)C1=O ZINC001275142413 1011989341 /nfs/dbraw/zinc/98/93/41/1011989341.db2.gz MLDNPVUCLFYCKS-INIZCTEOSA-N 1 2 354.376 2.638 20 30 FFEDLO N#CCCCN1C[C@]2(CC[N@@H+](Cc3c(F)cccc3Cl)C2)OCC1=O ZINC001275206064 1012081786 /nfs/dbraw/zinc/08/17/86/1012081786.db2.gz BXWKODJQUMDYAY-GOSISDBHSA-N 1 2 365.836 2.586 20 30 FFEDLO N#CCCCN1C[C@]2(CC[N@H+](Cc3c(F)cccc3Cl)C2)OCC1=O ZINC001275206064 1012081801 /nfs/dbraw/zinc/08/18/01/1012081801.db2.gz BXWKODJQUMDYAY-GOSISDBHSA-N 1 2 365.836 2.586 20 30 FFEDLO C=CCCCC[N@H+]1C[C@]2(F)CN(Cc3c(C)noc3C)C(=O)[C@]2(F)C1 ZINC001276346241 1012098184 /nfs/dbraw/zinc/09/81/84/1012098184.db2.gz OSZYKULKJWNZBP-ZWKOTPCHSA-N 1 2 353.413 2.722 20 30 FFEDLO C=CCCCC[N@@H+]1C[C@]2(F)CN(Cc3c(C)noc3C)C(=O)[C@]2(F)C1 ZINC001276346241 1012098198 /nfs/dbraw/zinc/09/81/98/1012098198.db2.gz OSZYKULKJWNZBP-ZWKOTPCHSA-N 1 2 353.413 2.722 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ncc(Cl)cn2)C[C@H]1C#N ZINC001172976038 1012144823 /nfs/dbraw/zinc/14/48/23/1012144823.db2.gz LCHMQMFFIRPXRU-OLZOCXBDSA-N 1 2 351.838 2.511 20 30 FFEDLO CC[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988260 1012157126 /nfs/dbraw/zinc/15/71/26/1012157126.db2.gz AFECJTKIKZQRFT-CABCVRRESA-N 1 2 367.490 2.942 20 30 FFEDLO CC[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988260 1012157130 /nfs/dbraw/zinc/15/71/30/1012157130.db2.gz AFECJTKIKZQRFT-CABCVRRESA-N 1 2 367.490 2.942 20 30 FFEDLO O=C(c1ccc(F)cc1)N1CCC([N@@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001173001491 1012170903 /nfs/dbraw/zinc/17/09/03/1012170903.db2.gz IGGYVOKNLNXJPY-KRWDZBQOSA-N 1 2 360.454 2.704 20 30 FFEDLO O=C(c1ccc(F)cc1)N1CCC([N@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001173001491 1012170916 /nfs/dbraw/zinc/17/09/16/1012170916.db2.gz IGGYVOKNLNXJPY-KRWDZBQOSA-N 1 2 360.454 2.704 20 30 FFEDLO O=C(c1ccc(F)cc1)N1CCC([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001173001491 1012170926 /nfs/dbraw/zinc/17/09/26/1012170926.db2.gz IGGYVOKNLNXJPY-KRWDZBQOSA-N 1 2 360.454 2.704 20 30 FFEDLO O=C(c1ccc(F)cc1)N1CCC([N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001173001491 1012170941 /nfs/dbraw/zinc/17/09/41/1012170941.db2.gz IGGYVOKNLNXJPY-KRWDZBQOSA-N 1 2 360.454 2.704 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cncc(Br)c1 ZINC001275355761 1012356210 /nfs/dbraw/zinc/35/62/10/1012356210.db2.gz JEEWJRNJCJDEIV-QGZVFWFLSA-N 1 2 364.287 2.987 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cncc(Br)c1 ZINC001275355761 1012356231 /nfs/dbraw/zinc/35/62/31/1012356231.db2.gz JEEWJRNJCJDEIV-QGZVFWFLSA-N 1 2 364.287 2.987 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccn2)C3)c1 ZINC001095097153 1012411559 /nfs/dbraw/zinc/41/15/59/1012411559.db2.gz POCPMFATEREEMU-MNEFBYGVSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccn2)C3)c1 ZINC001095097153 1012411572 /nfs/dbraw/zinc/41/15/72/1012411572.db2.gz POCPMFATEREEMU-MNEFBYGVSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cccnc2)C3)cc1F ZINC001095100984 1012417203 /nfs/dbraw/zinc/41/72/03/1012417203.db2.gz YPUFMRUZJBLDTD-NEWSRXKRSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cccnc2)C3)cc1F ZINC001095100984 1012417218 /nfs/dbraw/zinc/41/72/18/1012417218.db2.gz YPUFMRUZJBLDTD-NEWSRXKRSA-N 1 2 350.397 2.628 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccc(-c3ccccn3)s1)C2 ZINC001275430427 1012456513 /nfs/dbraw/zinc/45/65/13/1012456513.db2.gz QWIXPSJBJUDBRJ-UHFFFAOYSA-N 1 2 369.490 2.799 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(F)nc2)C3)s1 ZINC001095243461 1012831956 /nfs/dbraw/zinc/83/19/56/1012831956.db2.gz KHOMWJKCAQEMJF-KCXAZCMYSA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(F)nc2)C3)s1 ZINC001095243461 1012831979 /nfs/dbraw/zinc/83/19/79/1012831979.db2.gz KHOMWJKCAQEMJF-KCXAZCMYSA-N 1 2 356.426 2.689 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2OC(F)(F)F)C1=O ZINC001275688704 1012866580 /nfs/dbraw/zinc/86/65/80/1012866580.db2.gz VNKSNMQBTKWWHX-KRWDZBQOSA-N 1 2 352.356 2.785 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2OC(F)(F)F)C1=O ZINC001275688704 1012866588 /nfs/dbraw/zinc/86/65/88/1012866588.db2.gz VNKSNMQBTKWWHX-KRWDZBQOSA-N 1 2 352.356 2.785 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cc(F)ccc2Br)C1=O ZINC001275721401 1012921130 /nfs/dbraw/zinc/92/11/30/1012921130.db2.gz BNCHZLRQUDLCIW-QGZVFWFLSA-N 1 2 365.246 2.788 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)ccc2Br)C1=O ZINC001275721401 1012921143 /nfs/dbraw/zinc/92/11/43/1012921143.db2.gz BNCHZLRQUDLCIW-QGZVFWFLSA-N 1 2 365.246 2.788 20 30 FFEDLO COC(=O)[C@H](CS)[NH2+]C1CCC(c2ccc(OC(C)=O)cc2)CC1 ZINC001173781992 1012981837 /nfs/dbraw/zinc/98/18/37/1012981837.db2.gz CEOXKICYEMLJCI-PGEKIEPBSA-N 1 2 351.468 2.699 20 30 FFEDLO CCCCCCCC[C@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC)C[C@H]21 ZINC001222037109 1032681245 /nfs/dbraw/zinc/68/12/45/1032681245.db2.gz RAERTOZPDUHURN-RCCFBDPRSA-N 1 2 351.535 2.652 20 30 FFEDLO CCCCCCCC[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC)C[C@H]21 ZINC001222037109 1032681256 /nfs/dbraw/zinc/68/12/56/1032681256.db2.gz RAERTOZPDUHURN-RCCFBDPRSA-N 1 2 351.535 2.652 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)OCCCO3)C2 ZINC001097219948 1017209097 /nfs/dbraw/zinc/20/90/97/1017209097.db2.gz HIRQGAUMDLUOHK-OAGGEKHMSA-N 1 2 362.857 2.936 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)OCCCO3)C2 ZINC001097219948 1017209110 /nfs/dbraw/zinc/20/91/10/1017209110.db2.gz HIRQGAUMDLUOHK-OAGGEKHMSA-N 1 2 362.857 2.936 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCCC)C[C@H]32)CCCCC1 ZINC001222040049 1032690550 /nfs/dbraw/zinc/69/05/50/1032690550.db2.gz JWIJMOCREDQHJK-QZTJIDSGSA-N 1 2 361.530 2.572 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](CC(=O)NCCC)C[C@H]32)CCCCC1 ZINC001222040049 1032690555 /nfs/dbraw/zinc/69/05/55/1032690555.db2.gz JWIJMOCREDQHJK-QZTJIDSGSA-N 1 2 361.530 2.572 20 30 FFEDLO Cc1noc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)c1C ZINC001097296321 1017329273 /nfs/dbraw/zinc/32/92/73/1017329273.db2.gz DESWBKBTDOIHQF-WQVCFCJDSA-N 1 2 356.451 2.760 20 30 FFEDLO Cc1noc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)c1C ZINC001097296321 1017329278 /nfs/dbraw/zinc/32/92/78/1017329278.db2.gz DESWBKBTDOIHQF-WQVCFCJDSA-N 1 2 356.451 2.760 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3cccn3cn1)C2 ZINC001097314910 1017337458 /nfs/dbraw/zinc/33/74/58/1017337458.db2.gz HNTMKEBDFYCJPC-SBHAEUEKSA-N 1 2 371.444 2.741 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3cccn3cn1)C2 ZINC001097314910 1017337468 /nfs/dbraw/zinc/33/74/68/1017337468.db2.gz HNTMKEBDFYCJPC-SBHAEUEKSA-N 1 2 371.444 2.741 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(NC(C)=O)cc1)C2 ZINC001097460018 1017496382 /nfs/dbraw/zinc/49/63/82/1017496382.db2.gz JQUVQPMDPYSHMS-KURKYZTESA-N 1 2 361.873 2.662 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(NC(C)=O)cc1)C2 ZINC001097460018 1017496386 /nfs/dbraw/zinc/49/63/86/1017496386.db2.gz JQUVQPMDPYSHMS-KURKYZTESA-N 1 2 361.873 2.662 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c[nH]nc31)C2 ZINC001097622588 1017744821 /nfs/dbraw/zinc/74/48/21/1017744821.db2.gz IMOAUPRTMUSTFZ-RLLQIKCJSA-N 1 2 371.444 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c[nH]nc31)C2 ZINC001097622588 1017744834 /nfs/dbraw/zinc/74/48/34/1017744834.db2.gz IMOAUPRTMUSTFZ-RLLQIKCJSA-N 1 2 371.444 2.970 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(OC)no4)C[C@H]32)CCCCC1 ZINC001222062587 1032723597 /nfs/dbraw/zinc/72/35/97/1032723597.db2.gz CWYFBZRLONMAHS-SJLPKXTDSA-N 1 2 371.481 2.690 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(OC)no4)C[C@H]32)CCCCC1 ZINC001222062587 1032723602 /nfs/dbraw/zinc/72/36/02/1032723602.db2.gz CWYFBZRLONMAHS-SJLPKXTDSA-N 1 2 371.481 2.690 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(CNc3cc[nH+]c(C)n3)C2)cn1 ZINC001055661858 1017852411 /nfs/dbraw/zinc/85/24/11/1017852411.db2.gz CBQGBQLUPKLTPJ-UWJYYQICSA-N 1 2 361.449 2.516 20 30 FFEDLO CCC(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C#N)nc2)C1 ZINC001052746044 1018080774 /nfs/dbraw/zinc/08/07/74/1018080774.db2.gz ZPFRIQSQUAVLTQ-IAGOWNOFSA-N 1 2 366.469 2.529 20 30 FFEDLO C=CCOc1ccc(C(=O)NC[C@@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2C)cc1 ZINC001053236821 1018219765 /nfs/dbraw/zinc/21/97/65/1018219765.db2.gz TYWBPEUCHQHJLK-CRAIPNDOSA-N 1 2 366.465 2.852 20 30 FFEDLO CCC[C@H](C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001217580144 1032792586 /nfs/dbraw/zinc/79/25/86/1032792586.db2.gz VHFQWAKZSUXIRU-ZOCIIQOWSA-N 1 2 359.445 2.545 20 30 FFEDLO CCC[C@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001217580144 1032792602 /nfs/dbraw/zinc/79/26/02/1032792602.db2.gz VHFQWAKZSUXIRU-ZOCIIQOWSA-N 1 2 359.445 2.545 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001042572280 1019073210 /nfs/dbraw/zinc/07/32/10/1019073210.db2.gz MMCSCARZSAVNBC-DDBAPUKQSA-N 1 2 372.513 2.831 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](Cc2cc(C)ccc2OC)C1 ZINC001042741179 1019130869 /nfs/dbraw/zinc/13/08/69/1019130869.db2.gz MQARDQZINXCZLP-MOPGFXCFSA-N 1 2 358.482 2.627 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001067886307 1019169703 /nfs/dbraw/zinc/16/97/03/1019169703.db2.gz UBGDLVJXWOCBOO-BACDZXNISA-N 1 2 358.486 2.806 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)nc1C(C)(C)C)C2 ZINC001098051864 1019199216 /nfs/dbraw/zinc/19/92/16/1019199216.db2.gz YKMUMAXYQZQPAA-YUELXQCFSA-N 1 2 350.894 2.805 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)nc1C(C)(C)C)C2 ZINC001098051864 1019199224 /nfs/dbraw/zinc/19/92/24/1019199224.db2.gz YKMUMAXYQZQPAA-YUELXQCFSA-N 1 2 350.894 2.805 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)c1ccncn1 ZINC001098065025 1019269459 /nfs/dbraw/zinc/26/94/59/1019269459.db2.gz SUDPQBLNLDOHJL-QRQLOZEOSA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)c1ccncn1 ZINC001098065025 1019269467 /nfs/dbraw/zinc/26/94/67/1019269467.db2.gz SUDPQBLNLDOHJL-QRQLOZEOSA-N 1 2 366.852 2.517 20 30 FFEDLO C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1Nc1cccc(F)c1C#N ZINC001043248153 1019280515 /nfs/dbraw/zinc/28/05/15/1019280515.db2.gz AYJYELODHUFOFY-MLGOLLRUSA-N 1 2 355.417 2.657 20 30 FFEDLO CN(C(=O)C[C@@H]1C[C@H]1C1CC1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001043391253 1019400108 /nfs/dbraw/zinc/40/01/08/1019400108.db2.gz KRQPVSPZVCJSMC-PXNSSMCTSA-N 1 2 353.466 2.668 20 30 FFEDLO C=C(C)CCC(=O)NC1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001069448990 1019468766 /nfs/dbraw/zinc/46/87/66/1019468766.db2.gz NPIHBAPSJVCOAM-HZPDHXFCSA-N 1 2 358.486 2.757 20 30 FFEDLO C=C(C)CCC(=O)NC1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001069448990 1019468775 /nfs/dbraw/zinc/46/87/75/1019468775.db2.gz NPIHBAPSJVCOAM-HZPDHXFCSA-N 1 2 358.486 2.757 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C(C)(C)C1 ZINC001069621175 1019518518 /nfs/dbraw/zinc/51/85/18/1019518518.db2.gz FYTSBDKWIPHSJB-IKGGRYGDSA-N 1 2 370.497 2.902 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ccc2nonc2c1 ZINC001095957409 1019579837 /nfs/dbraw/zinc/57/98/37/1019579837.db2.gz UUJQJSOPGRCBIL-QMMLZNLJSA-N 1 2 372.428 2.610 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ccc2nonc2c1 ZINC001095957409 1019579852 /nfs/dbraw/zinc/57/98/52/1019579852.db2.gz UUJQJSOPGRCBIL-QMMLZNLJSA-N 1 2 372.428 2.610 20 30 FFEDLO CCc1nocc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095978701 1019678890 /nfs/dbraw/zinc/67/88/90/1019678890.db2.gz OLBMGTUAWXZRLH-CCKFTAQKSA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1nocc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095978701 1019678897 /nfs/dbraw/zinc/67/88/97/1019678897.db2.gz OLBMGTUAWXZRLH-CCKFTAQKSA-N 1 2 368.412 2.783 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(F)F)n[nH]1)C2 ZINC001095993471 1019716690 /nfs/dbraw/zinc/71/66/90/1019716690.db2.gz CALQCXLRCGDIIM-KEYYUXOJSA-N 1 2 371.391 2.754 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(F)F)n[nH]1)C2 ZINC001095993471 1019716702 /nfs/dbraw/zinc/71/67/02/1019716702.db2.gz CALQCXLRCGDIIM-KEYYUXOJSA-N 1 2 371.391 2.754 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F)C(C)C ZINC001110984669 1019948923 /nfs/dbraw/zinc/94/89/23/1019948923.db2.gz KZSHDSGZYOXCPV-YSHGAJCASA-N 1 2 359.445 2.590 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F)C(C)C ZINC001110984669 1019948928 /nfs/dbraw/zinc/94/89/28/1019948928.db2.gz KZSHDSGZYOXCPV-YSHGAJCASA-N 1 2 359.445 2.590 20 30 FFEDLO CC(F)(F)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110990756 1020029609 /nfs/dbraw/zinc/02/96/09/1020029609.db2.gz MHBXASXMGXIEJU-BMFZPTHFSA-N 1 2 351.372 2.964 20 30 FFEDLO CC(F)(F)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110990756 1020029618 /nfs/dbraw/zinc/02/96/18/1020029618.db2.gz MHBXASXMGXIEJU-BMFZPTHFSA-N 1 2 351.372 2.964 20 30 FFEDLO COc1ccc(C[N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)c(C#N)c1 ZINC001137699765 1032877918 /nfs/dbraw/zinc/87/79/18/1032877918.db2.gz TZWKRDUMNDUADL-ACRUOGEOSA-N 1 2 365.433 2.773 20 30 FFEDLO COc1ccc(C[N@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)c(C#N)c1 ZINC001137699765 1032877937 /nfs/dbraw/zinc/87/79/37/1032877937.db2.gz TZWKRDUMNDUADL-ACRUOGEOSA-N 1 2 365.433 2.773 20 30 FFEDLO Cc1ccccc1C[N@H+](C)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000725766692 1020254359 /nfs/dbraw/zinc/25/43/59/1020254359.db2.gz VEDCUYJJDNNXHK-OAQYLSRUSA-N 1 2 362.433 2.723 20 30 FFEDLO Cc1ccccc1C[N@@H+](C)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000725766692 1020254366 /nfs/dbraw/zinc/25/43/66/1020254366.db2.gz VEDCUYJJDNNXHK-OAQYLSRUSA-N 1 2 362.433 2.723 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)cc2F)cn1 ZINC001096382695 1020303969 /nfs/dbraw/zinc/30/39/69/1020303969.db2.gz NZBCZQLUDZIZHD-HOJAQTOUSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)cc2F)cn1 ZINC001096382695 1020303977 /nfs/dbraw/zinc/30/39/77/1020303977.db2.gz NZBCZQLUDZIZHD-HOJAQTOUSA-N 1 2 367.399 2.876 20 30 FFEDLO O=C1C=COC2(CC[NH+](Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)CC2)C1 ZINC000902599839 1020330767 /nfs/dbraw/zinc/33/07/67/1020330767.db2.gz MLCJYCZXMBWLGS-UHFFFAOYSA-N 1 2 368.393 2.754 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)[C@@H]2CC)nc1 ZINC001048763074 1020483671 /nfs/dbraw/zinc/48/36/71/1020483671.db2.gz BHNBQJAMFGBKKP-PKOBYXMFSA-N 1 2 363.465 2.565 20 30 FFEDLO Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@H]2Nc2nccnc2C#N)c(C)[nH+]1 ZINC001046212013 1020544276 /nfs/dbraw/zinc/54/42/76/1020544276.db2.gz OUVHBBISHFLKQL-HZPDHXFCSA-N 1 2 364.453 2.822 20 30 FFEDLO C=C(C)C[N@@H+]1CCn2c(nnc2C2CCN(C(=O)[C@]34C[C@H]3CCC4)CC2)C1 ZINC001074109400 1020635896 /nfs/dbraw/zinc/63/58/96/1020635896.db2.gz CILXZXLOIHSLPR-DYESRHJHSA-N 1 2 369.513 2.566 20 30 FFEDLO C=C(C)C[N@H+]1CCn2c(nnc2C2CCN(C(=O)[C@]34C[C@H]3CCC4)CC2)C1 ZINC001074109400 1020635899 /nfs/dbraw/zinc/63/58/99/1020635899.db2.gz CILXZXLOIHSLPR-DYESRHJHSA-N 1 2 369.513 2.566 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)cn1 ZINC001098245228 1020758367 /nfs/dbraw/zinc/75/83/67/1020758367.db2.gz AKXSDULRTNXYCM-NRSPTQNISA-N 1 2 374.419 2.609 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)cn1 ZINC001098245228 1020758373 /nfs/dbraw/zinc/75/83/73/1020758373.db2.gz AKXSDULRTNXYCM-NRSPTQNISA-N 1 2 374.419 2.609 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C1CCOCC1 ZINC001098528274 1020985719 /nfs/dbraw/zinc/98/57/19/1020985719.db2.gz WSIPSEWQRCPBBX-DOVSJBTNSA-N 1 2 367.493 2.842 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C1CCOCC1 ZINC001098528274 1020985721 /nfs/dbraw/zinc/98/57/21/1020985721.db2.gz WSIPSEWQRCPBBX-DOVSJBTNSA-N 1 2 367.493 2.842 20 30 FFEDLO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 ZINC000933623573 1021050640 /nfs/dbraw/zinc/05/06/40/1021050640.db2.gz CSQAKKVBWVCFBD-PZJWPPBQSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1cccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 ZINC000933623573 1021050644 /nfs/dbraw/zinc/05/06/44/1021050644.db2.gz CSQAKKVBWVCFBD-PZJWPPBQSA-N 1 2 352.434 2.680 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933650555 1021059031 /nfs/dbraw/zinc/05/90/31/1021059031.db2.gz RMSRGFISCGJBAB-ZDUSSCGKSA-N 1 2 373.840 2.876 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934418554 1021228608 /nfs/dbraw/zinc/22/86/08/1021228608.db2.gz OUHYELBYKQTREG-MGPUTAFESA-N 1 2 353.470 2.951 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934418554 1021228610 /nfs/dbraw/zinc/22/86/10/1021228610.db2.gz OUHYELBYKQTREG-MGPUTAFESA-N 1 2 353.470 2.951 20 30 FFEDLO C#C[C@H]1CCCC[N@H+]1Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000934509874 1021269503 /nfs/dbraw/zinc/26/95/03/1021269503.db2.gz RFDVZEXOWVMYPU-AWEZNQCLSA-N 1 2 357.410 2.750 20 30 FFEDLO C#C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000934509874 1021269508 /nfs/dbraw/zinc/26/95/08/1021269508.db2.gz RFDVZEXOWVMYPU-AWEZNQCLSA-N 1 2 357.410 2.750 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@@H](C)c2nnc(C)o2)C3)cc1 ZINC001098969329 1021502404 /nfs/dbraw/zinc/50/24/04/1021502404.db2.gz HQMUZTUDZYHXGU-XQAUZQBESA-N 1 2 364.449 2.705 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@@H](C)c2nnc(C)o2)C3)cc1 ZINC001098969329 1021502408 /nfs/dbraw/zinc/50/24/08/1021502408.db2.gz HQMUZTUDZYHXGU-XQAUZQBESA-N 1 2 364.449 2.705 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001010839684 1021504132 /nfs/dbraw/zinc/50/41/32/1021504132.db2.gz HEWIVCFNAJQRGK-JXXFODFXSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001010839684 1021504146 /nfs/dbraw/zinc/50/41/46/1021504146.db2.gz HEWIVCFNAJQRGK-JXXFODFXSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2scc3c2OCCO3)C1 ZINC001099103929 1021803082 /nfs/dbraw/zinc/80/30/82/1021803082.db2.gz JXZHPDYRQPKIIK-SJCJKPOMSA-N 1 2 368.886 2.856 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2scc3c2OCCO3)C1 ZINC001099103929 1021803094 /nfs/dbraw/zinc/80/30/94/1021803094.db2.gz JXZHPDYRQPKIIK-SJCJKPOMSA-N 1 2 368.886 2.856 20 30 FFEDLO Cn1ccc(CO[NH+]=C(N)c2ccc(COc3ccccc3F)cc2)n1 ZINC000778592747 1022144100 /nfs/dbraw/zinc/14/41/00/1022144100.db2.gz QUFLKTONRUHJFM-UHFFFAOYSA-N 1 2 354.385 2.975 20 30 FFEDLO O=C(C(F)C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CCC2)C1 ZINC001099254740 1022170600 /nfs/dbraw/zinc/17/06/00/1022170600.db2.gz VRSBYNUUSYFPLS-OPRDCNLKSA-N 1 2 350.278 2.666 20 30 FFEDLO O=C([C@@H](F)C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CCC2)C1 ZINC001099254740 1022170602 /nfs/dbraw/zinc/17/06/02/1022170602.db2.gz VRSBYNUUSYFPLS-OPRDCNLKSA-N 1 2 350.278 2.666 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)C[NH2+]1 ZINC001218178691 1033035085 /nfs/dbraw/zinc/03/50/85/1033035085.db2.gz RGTBOGCEPUIOFI-SZCOOPAMSA-N 1 2 351.402 2.865 20 30 FFEDLO CN(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1cccc(C#N)c1 ZINC001202788450 1022243148 /nfs/dbraw/zinc/24/31/48/1022243148.db2.gz PZYLYWNSYHADHL-FQEVSTJZSA-N 1 2 364.449 2.923 20 30 FFEDLO CN(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1cccc(C#N)c1 ZINC001202788450 1022243155 /nfs/dbraw/zinc/24/31/55/1022243155.db2.gz PZYLYWNSYHADHL-FQEVSTJZSA-N 1 2 364.449 2.923 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC001118845220 1022433971 /nfs/dbraw/zinc/43/39/71/1022433971.db2.gz PAARUQFCOBSNLO-PZJWPPBQSA-N 1 2 350.418 2.756 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC001118845220 1022433977 /nfs/dbraw/zinc/43/39/77/1022433977.db2.gz PAARUQFCOBSNLO-PZJWPPBQSA-N 1 2 350.418 2.756 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1oc(CCC)nc1C ZINC001038267279 1022641612 /nfs/dbraw/zinc/64/16/12/1022641612.db2.gz RDXPVHKMIXEPAY-ZACQAIPSSA-N 1 2 361.486 2.607 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1oc(CCC)nc1C ZINC001038267279 1022641620 /nfs/dbraw/zinc/64/16/20/1022641620.db2.gz RDXPVHKMIXEPAY-ZACQAIPSSA-N 1 2 361.486 2.607 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001038723069 1022688378 /nfs/dbraw/zinc/68/83/78/1022688378.db2.gz WCOZBINPUWHZMR-BHIYHBOVSA-N 1 2 355.482 2.940 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001038723069 1022688388 /nfs/dbraw/zinc/68/83/88/1022688388.db2.gz WCOZBINPUWHZMR-BHIYHBOVSA-N 1 2 355.482 2.940 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1oc(CC)nc1C ZINC001038798798 1022712906 /nfs/dbraw/zinc/71/29/06/1022712906.db2.gz HMETYNKZYTXVIP-GJYPPUQNSA-N 1 2 361.486 2.607 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1oc(CC)nc1C ZINC001038798798 1022712918 /nfs/dbraw/zinc/71/29/18/1022712918.db2.gz HMETYNKZYTXVIP-GJYPPUQNSA-N 1 2 361.486 2.607 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1oc(C(C)C)nc1C ZINC001038808171 1022718106 /nfs/dbraw/zinc/71/81/06/1022718106.db2.gz PETMFSVGJZASHT-RYRKJORJSA-N 1 2 361.486 2.778 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1oc(C(C)C)nc1C ZINC001038808171 1022718119 /nfs/dbraw/zinc/71/81/19/1022718119.db2.gz PETMFSVGJZASHT-RYRKJORJSA-N 1 2 361.486 2.778 20 30 FFEDLO C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1nc(Cl)c(C#N)s1 ZINC001099765077 1022818849 /nfs/dbraw/zinc/81/88/49/1022818849.db2.gz JODMYCCDYQRLHZ-OPRDCNLKSA-N 1 2 364.862 2.502 20 30 FFEDLO C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1nc(Cl)c(C#N)s1 ZINC001099765077 1022818866 /nfs/dbraw/zinc/81/88/66/1022818866.db2.gz JODMYCCDYQRLHZ-OPRDCNLKSA-N 1 2 364.862 2.502 20 30 FFEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](C[C@@H](O)c2cccc(F)c2)CC1 ZINC000780319161 1022853687 /nfs/dbraw/zinc/85/36/87/1022853687.db2.gz MPLTVXRRBAFLHA-VQTJNVASSA-N 1 2 357.404 2.881 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)cc1Cl ZINC000829327385 1033104100 /nfs/dbraw/zinc/10/41/00/1033104100.db2.gz HONZDUXRJGNOGH-UHFFFAOYSA-N 1 2 370.840 2.715 20 30 FFEDLO C=CCCCN(CC)C(=O)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001119799645 1023101436 /nfs/dbraw/zinc/10/14/36/1023101436.db2.gz RVZCASKNXZWDIK-SFHVURJKSA-N 1 2 368.481 2.635 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001122441456 1023270521 /nfs/dbraw/zinc/27/05/21/1023270521.db2.gz SHOSXQSUXVYMHX-QZTJIDSGSA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001122441456 1023270529 /nfs/dbraw/zinc/27/05/29/1023270529.db2.gz SHOSXQSUXVYMHX-QZTJIDSGSA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](c2noc(C)n2)C1 ZINC001122536584 1023326180 /nfs/dbraw/zinc/32/61/80/1023326180.db2.gz HKWSBFKEOMSHAC-HOTGVXAUSA-N 1 2 371.489 2.696 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](c2noc(C)n2)C1 ZINC001122536584 1023326186 /nfs/dbraw/zinc/32/61/86/1023326186.db2.gz HKWSBFKEOMSHAC-HOTGVXAUSA-N 1 2 371.489 2.696 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)Cc1ccoc1C ZINC001122567040 1023342884 /nfs/dbraw/zinc/34/28/84/1023342884.db2.gz MSGCBFIHUKPNNR-UHFFFAOYSA-N 1 2 373.501 2.596 20 30 FFEDLO O=[N+]([O-])c1cccc(-c2nc(C=NNC3=[NH+][C@@H]4CCCC[C@H]4N3)cs2)c1 ZINC000753933053 1023401225 /nfs/dbraw/zinc/40/12/25/1023401225.db2.gz AXMHAOIBYFPOFW-HUUCEWRRSA-N 1 2 370.438 2.912 20 30 FFEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@@H]3C[C@H]3c3ccccc3)CC2)C1 ZINC000949366051 1023516984 /nfs/dbraw/zinc/51/69/84/1023516984.db2.gz ROQNRIYHMOEGQX-PMACEKPBSA-N 1 2 352.478 2.507 20 30 FFEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3C[C@H]3c3ccccc3)CC2)C1 ZINC000949366051 1023516992 /nfs/dbraw/zinc/51/69/92/1023516992.db2.gz ROQNRIYHMOEGQX-PMACEKPBSA-N 1 2 352.478 2.507 20 30 FFEDLO C=CCN(CC1CCCCC1)c1nnc(C[NH+]2CCC(CO)CC2)n1C ZINC001121391435 1023745828 /nfs/dbraw/zinc/74/58/28/1023745828.db2.gz KPUXXFDORBHTRF-UHFFFAOYSA-N 1 2 361.534 2.592 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001121590218 1023868216 /nfs/dbraw/zinc/86/82/16/1023868216.db2.gz MHSPMSJBWQQQDX-XLIONFOSSA-N 1 2 370.501 2.913 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)[C@H]1CC[C@@H]1OC ZINC001121591211 1023868536 /nfs/dbraw/zinc/86/85/36/1023868536.db2.gz WSTUUIWHOMUPIQ-BBWFWOEESA-N 1 2 358.490 2.910 20 30 FFEDLO C=CCn1c(N2C[C@H](C)c3ccccc32)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121606818 1023877934 /nfs/dbraw/zinc/87/79/34/1023877934.db2.gz DKLXAGPBOOBFCN-AVYPCKFXSA-N 1 2 353.470 2.631 20 30 FFEDLO C=CCn1c(N2C[C@H](C)c3ccccc32)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001121606818 1023877946 /nfs/dbraw/zinc/87/79/46/1023877946.db2.gz DKLXAGPBOOBFCN-AVYPCKFXSA-N 1 2 353.470 2.631 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCc2c(C)cc(C)cc2C1 ZINC001121619662 1023884841 /nfs/dbraw/zinc/88/48/41/1023884841.db2.gz ALECXNBPOSZELP-UHFFFAOYSA-N 1 2 362.481 2.968 20 30 FFEDLO CC[C@@H]1C[N@H+](Cn2ccc(C)c(C#N)c2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000758243290 1023991587 /nfs/dbraw/zinc/99/15/87/1023991587.db2.gz PINXWSNVBADSSU-NVXWUHKLSA-N 1 2 374.485 2.611 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cn2ccc(C)c(C#N)c2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000758243290 1023991592 /nfs/dbraw/zinc/99/15/92/1023991592.db2.gz PINXWSNVBADSSU-NVXWUHKLSA-N 1 2 374.485 2.611 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC)C1 ZINC001121799854 1024037668 /nfs/dbraw/zinc/03/76/68/1024037668.db2.gz BMKOGBMAYXXUTQ-QGZVFWFLSA-N 1 2 354.502 2.631 20 30 FFEDLO CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(CCC#N)CCC(C)C ZINC001121804105 1024044180 /nfs/dbraw/zinc/04/41/80/1024044180.db2.gz OHWHZHNADMORIF-MSOLQXFVSA-N 1 2 374.533 2.990 20 30 FFEDLO CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(CCC#N)CCC(C)C ZINC001121804105 1024044186 /nfs/dbraw/zinc/04/41/86/1024044186.db2.gz OHWHZHNADMORIF-MSOLQXFVSA-N 1 2 374.533 2.990 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CCCC4)no3)C[C@@]2(C)C1 ZINC001101217405 1024113518 /nfs/dbraw/zinc/11/35/18/1024113518.db2.gz YFFROXXABDAYLM-UTKZUKDTSA-N 1 2 370.497 2.811 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CCCC4)no3)C[C@@]2(C)C1 ZINC001101217405 1024113528 /nfs/dbraw/zinc/11/35/28/1024113528.db2.gz YFFROXXABDAYLM-UTKZUKDTSA-N 1 2 370.497 2.811 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101253134 1024206199 /nfs/dbraw/zinc/20/61/99/1024206199.db2.gz GKBFSZVZDFXPPP-QRWLVFNGSA-N 1 2 359.518 2.739 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101253134 1024206211 /nfs/dbraw/zinc/20/62/11/1024206211.db2.gz GKBFSZVZDFXPPP-QRWLVFNGSA-N 1 2 359.518 2.739 20 30 FFEDLO CCCCCCCCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000192576530 1024225588 /nfs/dbraw/zinc/22/55/88/1024225588.db2.gz PKIMGNFLAPEOOJ-UHFFFAOYSA-N 1 2 358.490 2.763 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C1CC1)C2 ZINC001111358896 1024360874 /nfs/dbraw/zinc/36/08/74/1024360874.db2.gz AQUQGAYECYSRFW-WNOSKKOXSA-N 1 2 373.522 2.651 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C1CC1)C2 ZINC001111358896 1024360892 /nfs/dbraw/zinc/36/08/92/1024360892.db2.gz AQUQGAYECYSRFW-WNOSKKOXSA-N 1 2 373.522 2.651 20 30 FFEDLO COc1cc(OC)cc(Oc2ccc(C=NNC3=[NH+]C[C@H](C)N3)cc2)c1 ZINC000779805966 1024711641 /nfs/dbraw/zinc/71/16/41/1024711641.db2.gz XAKZSOCWECXDGM-ZDUSSCGKSA-N 1 2 354.410 2.767 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCN(c1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001101448459 1024773955 /nfs/dbraw/zinc/77/39/55/1024773955.db2.gz VDONTUFDXOPTTQ-SJORKVTESA-N 1 2 358.486 2.585 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccccc1OC)C2 ZINC001111399033 1024878965 /nfs/dbraw/zinc/87/89/65/1024878965.db2.gz ZVIRIAFJDATOID-KFWWJZLASA-N 1 2 350.846 2.548 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccccc1OC)C2 ZINC001111399033 1024878972 /nfs/dbraw/zinc/87/89/72/1024878972.db2.gz ZVIRIAFJDATOID-KFWWJZLASA-N 1 2 350.846 2.548 20 30 FFEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001101793837 1025044039 /nfs/dbraw/zinc/04/40/39/1025044039.db2.gz KQPVASXESNJWLV-MGPQQGTHSA-N 1 2 371.934 2.962 20 30 FFEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001101793837 1025044049 /nfs/dbraw/zinc/04/40/49/1025044049.db2.gz KQPVASXESNJWLV-MGPQQGTHSA-N 1 2 371.934 2.962 20 30 FFEDLO C=C[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cnsn2)C[C@H]1C)c1ccccc1 ZINC001102592313 1026372579 /nfs/dbraw/zinc/37/25/79/1026372579.db2.gz UPYODIAKKBSHIH-QGPMSJSTSA-N 1 2 356.495 2.692 20 30 FFEDLO C=C[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2cnsn2)C[C@H]1C)c1ccccc1 ZINC001102592313 1026372589 /nfs/dbraw/zinc/37/25/89/1026372589.db2.gz UPYODIAKKBSHIH-QGPMSJSTSA-N 1 2 356.495 2.692 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+](CN3C(=O)[C@@]4(CCCO4)[C@@H]3C3CC3)CC2)cc1 ZINC000840037889 1026924220 /nfs/dbraw/zinc/92/42/20/1026924220.db2.gz MEADEIUUKNDUPC-RBBKRZOGSA-N 1 2 363.461 2.775 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C(=O)[C@@]4(CCCO4)[C@@H]3C3CC3)CC2)cc1 ZINC000840037889 1026924224 /nfs/dbraw/zinc/92/42/24/1026924224.db2.gz MEADEIUUKNDUPC-RBBKRZOGSA-N 1 2 363.461 2.775 20 30 FFEDLO Cc1cnc(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c(C#N)n1 ZINC001158591803 1027070672 /nfs/dbraw/zinc/07/06/72/1027070672.db2.gz UOHBFGKKUJQJEH-AEFFLSMTSA-N 1 2 365.437 2.528 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCCN(c2[nH+]ccc3cc(C(=O)OCC)[nH]c32)C1 ZINC001158906450 1027184318 /nfs/dbraw/zinc/18/43/18/1027184318.db2.gz BFYQXFNTAGVKOO-AWEZNQCLSA-N 1 2 372.425 2.621 20 30 FFEDLO COc1ccnc(O[C@@H]2CCC[N@H+](Cc3ccc(C#N)c(SC)n3)C2)n1 ZINC001141945557 1027200600 /nfs/dbraw/zinc/20/06/00/1027200600.db2.gz DESMLYDVIXGWFN-OAHLLOKOSA-N 1 2 371.466 2.517 20 30 FFEDLO COc1ccnc(O[C@@H]2CCC[N@@H+](Cc3ccc(C#N)c(SC)n3)C2)n1 ZINC001141945557 1027200602 /nfs/dbraw/zinc/20/06/02/1027200602.db2.gz DESMLYDVIXGWFN-OAHLLOKOSA-N 1 2 371.466 2.517 20 30 FFEDLO N#Cc1cccc(-c2n[nH]c(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)n2)c1 ZINC001161914399 1028360922 /nfs/dbraw/zinc/36/09/22/1028360922.db2.gz SGECMTRBCJDPIT-MRXNPFEDSA-N 1 2 350.426 2.689 20 30 FFEDLO N#Cc1cccc(-c2n[nH]c(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)n2)c1 ZINC001161914399 1028360941 /nfs/dbraw/zinc/36/09/41/1028360941.db2.gz SGECMTRBCJDPIT-MRXNPFEDSA-N 1 2 350.426 2.689 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000957594377 1028382842 /nfs/dbraw/zinc/38/28/42/1028382842.db2.gz PBTRFBNMJYWMGQ-RHSMWYFYSA-N 1 2 368.481 2.822 20 30 FFEDLO N#Cc1cccc(Oc2ccnc(N3CCN(c4cccc[nH+]4)CC3)n2)c1 ZINC001161984800 1028382962 /nfs/dbraw/zinc/38/29/62/1028382962.db2.gz RSGTXFRCFWRLNH-UHFFFAOYSA-N 1 2 358.405 2.862 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1nc(-c2ccc(F)cc2)ccc1C#N ZINC001162849405 1028677821 /nfs/dbraw/zinc/67/78/21/1028677821.db2.gz OLVWDAOPXKGNFB-HNNXBMFYSA-N 1 2 356.401 2.840 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(C)c(C)o1 ZINC001155724190 1028873629 /nfs/dbraw/zinc/87/36/29/1028873629.db2.gz DRYCJIKQSNOXQC-LJHODMEESA-N 1 2 363.502 2.989 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(C)c(C)o1 ZINC001155724190 1028873647 /nfs/dbraw/zinc/87/36/47/1028873647.db2.gz DRYCJIKQSNOXQC-LJHODMEESA-N 1 2 363.502 2.989 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncc(CC)o1)C2 ZINC001111642692 1029024502 /nfs/dbraw/zinc/02/45/02/1029024502.db2.gz HMYJJEWPPHCODL-FTRWYGJKSA-N 1 2 361.486 2.689 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncc(CC)o1)C2 ZINC001111642692 1029024516 /nfs/dbraw/zinc/02/45/16/1029024516.db2.gz HMYJJEWPPHCODL-FTRWYGJKSA-N 1 2 361.486 2.689 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cc2Br)C[C@H]1C ZINC001206660123 1029069162 /nfs/dbraw/zinc/06/91/62/1029069162.db2.gz XLZKHKDABIISRF-UEKVPHQBSA-N 1 2 368.250 2.684 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2Br)C[C@H]1C ZINC001206660123 1029069177 /nfs/dbraw/zinc/06/91/77/1029069177.db2.gz XLZKHKDABIISRF-UEKVPHQBSA-N 1 2 368.250 2.684 20 30 FFEDLO N#Cc1cc(F)c(Cl)nc1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC001163897838 1029108338 /nfs/dbraw/zinc/10/83/38/1029108338.db2.gz ZKZSOQBTSJAUPQ-UHFFFAOYSA-N 1 2 374.803 2.797 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(CC3CC3)no1)C2 ZINC001111714910 1029218806 /nfs/dbraw/zinc/21/88/06/1029218806.db2.gz WYQJYYSWQCUBFM-UWJYYQICSA-N 1 2 370.497 2.686 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(CC3CC3)no1)C2 ZINC001111714910 1029218822 /nfs/dbraw/zinc/21/88/22/1029218822.db2.gz WYQJYYSWQCUBFM-UWJYYQICSA-N 1 2 370.497 2.686 20 30 FFEDLO COc1nscc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C#CC(C)(C)C)C1 ZINC001111742637 1029311805 /nfs/dbraw/zinc/31/18/05/1029311805.db2.gz HQLYMQGOIVTVTG-KXBFYZLASA-N 1 2 361.511 2.672 20 30 FFEDLO COc1nscc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C#CC(C)(C)C)C1 ZINC001111742637 1029311818 /nfs/dbraw/zinc/31/18/18/1029311818.db2.gz HQLYMQGOIVTVTG-KXBFYZLASA-N 1 2 361.511 2.672 20 30 FFEDLO Cc1ccc(-c2cc(C(F)(F)N3CC[NH2+]C[C@H]3C#N)c(Cl)nn2)cc1 ZINC001164675278 1029350762 /nfs/dbraw/zinc/35/07/62/1029350762.db2.gz DGSFLNKWKPLMOT-CYBMUJFWSA-N 1 2 363.799 2.952 20 30 FFEDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ccc(C)c(C#N)n1 ZINC001157506353 1029601787 /nfs/dbraw/zinc/60/17/87/1029601787.db2.gz UWNAIOCIBXPVRO-GOSISDBHSA-N 1 2 364.449 2.516 20 30 FFEDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ccc(C)c(C#N)n1 ZINC001157506353 1029601793 /nfs/dbraw/zinc/60/17/93/1029601793.db2.gz UWNAIOCIBXPVRO-GOSISDBHSA-N 1 2 364.449 2.516 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1nnc(CC)[nH]1)C2 ZINC001111845922 1029609446 /nfs/dbraw/zinc/60/94/46/1029609446.db2.gz HZFLVANQUOZXKJ-GUXCAODWSA-N 1 2 357.502 2.592 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1nnc(CC)[nH]1)C2 ZINC001111845922 1029609449 /nfs/dbraw/zinc/60/94/49/1029609449.db2.gz HZFLVANQUOZXKJ-GUXCAODWSA-N 1 2 357.502 2.592 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(CC3CC3)nn1)C2 ZINC001111848520 1029612704 /nfs/dbraw/zinc/61/27/04/1029612704.db2.gz JSFQFPOHKYDROX-MMOPVJDHSA-N 1 2 371.529 2.761 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(CC3CC3)nn1)C2 ZINC001111848520 1029612711 /nfs/dbraw/zinc/61/27/11/1029612711.db2.gz JSFQFPOHKYDROX-MMOPVJDHSA-N 1 2 371.529 2.761 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(=O)Nc2ccc(C)cc2)C1 ZINC001111977776 1029827427 /nfs/dbraw/zinc/82/74/27/1029827427.db2.gz HRNDIZJJHRFHCN-KXBFYZLASA-N 1 2 361.873 2.657 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(=O)Nc2ccc(C)cc2)C1 ZINC001111977776 1029827431 /nfs/dbraw/zinc/82/74/31/1029827431.db2.gz HRNDIZJJHRFHCN-KXBFYZLASA-N 1 2 361.873 2.657 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nc(C)oc2C)C1 ZINC001112146740 1030097178 /nfs/dbraw/zinc/09/71/78/1030097178.db2.gz LTVHMCGGJPSVBA-GDBMZVCRSA-N 1 2 371.403 2.964 20 30 FFEDLO C=CC1(CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCCCC1 ZINC001142212274 1030163545 /nfs/dbraw/zinc/16/35/45/1030163545.db2.gz JEYSGHLXKYCAKL-IBGZPJMESA-N 1 2 352.544 2.837 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cc(F)c(F)cc3O)C2)CC1 ZINC001142508593 1030558061 /nfs/dbraw/zinc/55/80/61/1030558061.db2.gz DUKJAPUAIDDJJL-UHFFFAOYSA-N 1 2 352.381 2.891 20 30 FFEDLO Cc1ccc(N2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)cc1 ZINC000784389660 1030597880 /nfs/dbraw/zinc/59/78/80/1030597880.db2.gz CZAZIQTZXDPYOD-OAQYLSRUSA-N 1 2 360.461 2.794 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2c(OC)cc(OC)cc2OC)C1 ZINC001203518483 1030739952 /nfs/dbraw/zinc/73/99/52/1030739952.db2.gz HGEZXULBJWBWJC-AWEZNQCLSA-N 1 2 364.442 2.589 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2c(OC)cc(OC)cc2OC)C1 ZINC001203518483 1030739964 /nfs/dbraw/zinc/73/99/64/1030739964.db2.gz HGEZXULBJWBWJC-AWEZNQCLSA-N 1 2 364.442 2.589 20 30 FFEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1cccc(C#N)c1 ZINC001203757830 1030869336 /nfs/dbraw/zinc/86/93/36/1030869336.db2.gz QBUBTAPPSMWMSI-IBGZPJMESA-N 1 2 351.454 2.571 20 30 FFEDLO C[N@H+](CC(F)F)C1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000796741071 1030901022 /nfs/dbraw/zinc/90/10/22/1030901022.db2.gz AOUPWYGTDHDQCE-UHFFFAOYSA-N 1 2 365.399 2.917 20 30 FFEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000796741071 1030901044 /nfs/dbraw/zinc/90/10/44/1030901044.db2.gz AOUPWYGTDHDQCE-UHFFFAOYSA-N 1 2 365.399 2.917 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(OC)c(OC)c1 ZINC001203837801 1030922903 /nfs/dbraw/zinc/92/29/03/1030922903.db2.gz IBAUOSNGZYAOGY-QGZVFWFLSA-N 1 2 357.454 2.739 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(OC)c(OC)c1 ZINC001203837801 1030922917 /nfs/dbraw/zinc/92/29/17/1030922917.db2.gz IBAUOSNGZYAOGY-QGZVFWFLSA-N 1 2 357.454 2.739 20 30 FFEDLO CCCN1C(=O)CC[C@@H](C(=O)OCC(C)(C)CC#N)[C@@H]1c1c[nH+]cn1C ZINC000796843214 1030931959 /nfs/dbraw/zinc/93/19/59/1030931959.db2.gz JDSYXTMTLZPDHB-RHSMWYFYSA-N 1 2 360.458 2.593 20 30 FFEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cnc3ccc(Cl)nn13)CC2 ZINC001142989741 1031126944 /nfs/dbraw/zinc/12/69/44/1031126944.db2.gz XATPGOIZOFYDQJ-UHFFFAOYSA-N 1 2 359.861 2.526 20 30 FFEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(Cl)ccc(F)c1F)CC2 ZINC001276463974 1031305695 /nfs/dbraw/zinc/30/56/95/1031305695.db2.gz KQJNCDZZPSJZEM-ZDUSSCGKSA-N 1 2 352.812 2.970 20 30 FFEDLO CCOc1cccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1O ZINC000798274226 1031352718 /nfs/dbraw/zinc/35/27/18/1031352718.db2.gz BLCWWCAGUQIPSW-HUUCEWRRSA-N 1 2 361.442 2.640 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H](CNc1cccc(F)c1C#N)C1CC1 ZINC001115588403 1031904616 /nfs/dbraw/zinc/90/46/16/1031904616.db2.gz QICQMNCDEUHTBU-LPMFXHHGSA-N 1 2 367.428 2.873 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H](CNc1cccc(F)c1C#N)C1CC1 ZINC001115588403 1031904627 /nfs/dbraw/zinc/90/46/27/1031904627.db2.gz QICQMNCDEUHTBU-LPMFXHHGSA-N 1 2 367.428 2.873 20 30 FFEDLO N#Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3-n3cc[nH+]c3)CC2=O)cc1 ZINC001115913269 1032011900 /nfs/dbraw/zinc/01/19/00/1032011900.db2.gz HZKOGKGZOLYBCM-MRXNPFEDSA-N 1 2 371.400 2.736 20 30 FFEDLO CC(C)(C)CCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218804528 1033348180 /nfs/dbraw/zinc/34/81/80/1033348180.db2.gz YDAVCYFQTHWFAS-DLBZAZTESA-N 1 2 361.511 2.858 20 30 FFEDLO CC(C)(C)CCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218804528 1033348190 /nfs/dbraw/zinc/34/81/90/1033348190.db2.gz YDAVCYFQTHWFAS-DLBZAZTESA-N 1 2 361.511 2.858 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(C)cn3)[C@H]2C1 ZINC001223271792 1033363564 /nfs/dbraw/zinc/36/35/64/1033363564.db2.gz QBTSPYLGGPWHBL-MOPGFXCFSA-N 1 2 354.498 2.792 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(C)cn3)[C@H]2C1 ZINC001223271792 1033363578 /nfs/dbraw/zinc/36/35/78/1033363578.db2.gz QBTSPYLGGPWHBL-MOPGFXCFSA-N 1 2 354.498 2.792 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3CC(C)C)[C@H]2C1 ZINC001223309882 1033384866 /nfs/dbraw/zinc/38/48/66/1033384866.db2.gz RKPZOBJWRXADAR-MOPGFXCFSA-N 1 2 371.529 2.551 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3CC(C)C)[C@H]2C1 ZINC001223309882 1033384874 /nfs/dbraw/zinc/38/48/74/1033384874.db2.gz RKPZOBJWRXADAR-MOPGFXCFSA-N 1 2 371.529 2.551 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001223338397 1033401768 /nfs/dbraw/zinc/40/17/68/1033401768.db2.gz OTSNBGDURBBJBU-LMMKCTJWSA-N 1 2 371.529 2.947 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001223338397 1033401774 /nfs/dbraw/zinc/40/17/74/1033401774.db2.gz OTSNBGDURBBJBU-LMMKCTJWSA-N 1 2 371.529 2.947 20 30 FFEDLO CC(C)[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001219353914 1033613709 /nfs/dbraw/zinc/61/37/09/1033613709.db2.gz PVKPJYULMHAERZ-IPELMVKDSA-N 1 2 362.901 2.535 20 30 FFEDLO CC(C)[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001219353914 1033613717 /nfs/dbraw/zinc/61/37/17/1033613717.db2.gz PVKPJYULMHAERZ-IPELMVKDSA-N 1 2 362.901 2.535 20 30 FFEDLO CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 ZINC001219598267 1033708741 /nfs/dbraw/zinc/70/87/41/1033708741.db2.gz QGLZMQWIBAIFIS-KURKYZTESA-N 1 2 364.436 2.627 20 30 FFEDLO CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 ZINC001219598267 1033708755 /nfs/dbraw/zinc/70/87/55/1033708755.db2.gz QGLZMQWIBAIFIS-KURKYZTESA-N 1 2 364.436 2.627 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3c2c(F)ccc3F)C[C@@H]1O ZINC001219706788 1033775808 /nfs/dbraw/zinc/77/58/08/1033775808.db2.gz OGFZAYOIJDFCEV-ZACQAIPSSA-N 1 2 364.436 2.716 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3c2c(F)ccc3F)C[C@@H]1O ZINC001219706788 1033775825 /nfs/dbraw/zinc/77/58/25/1033775825.db2.gz OGFZAYOIJDFCEV-ZACQAIPSSA-N 1 2 364.436 2.716 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@@H]1O ZINC001220198449 1034040039 /nfs/dbraw/zinc/04/00/39/1034040039.db2.gz QWQMRLGZSONDSX-XWIAVFTESA-N 1 2 368.880 2.785 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)C[C@@H]1O ZINC001220198449 1034040054 /nfs/dbraw/zinc/04/00/54/1034040054.db2.gz QWQMRLGZSONDSX-XWIAVFTESA-N 1 2 368.880 2.785 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)C[C@@H]1O ZINC001220201002 1034042729 /nfs/dbraw/zinc/04/27/29/1034042729.db2.gz CFXYUAKQPUCXHO-QGTPRVQTSA-N 1 2 350.890 2.912 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)C[C@@H]1O ZINC001220201002 1034042743 /nfs/dbraw/zinc/04/27/43/1034042743.db2.gz CFXYUAKQPUCXHO-QGTPRVQTSA-N 1 2 350.890 2.912 20 30 FFEDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Cc2noc(C)c2C#N)CC1 ZINC000831874395 1034371289 /nfs/dbraw/zinc/37/12/89/1034371289.db2.gz WVZMAXBKOGTVNN-LJQANCHMSA-N 1 2 370.428 2.832 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnsc1Cl ZINC001225752231 1034394653 /nfs/dbraw/zinc/39/46/53/1034394653.db2.gz CMQQILAIBGQCGD-CHWSQXEVSA-N 1 2 354.907 2.902 20 30 FFEDLO C=C(C)COc1ccccc1C[N@@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001138661634 1034520891 /nfs/dbraw/zinc/52/08/91/1034520891.db2.gz YEQHURZABCKYIJ-KRWDZBQOSA-N 1 2 356.470 2.906 20 30 FFEDLO C=C(C)COc1ccccc1C[N@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001138661634 1034520900 /nfs/dbraw/zinc/52/09/00/1034520900.db2.gz YEQHURZABCKYIJ-KRWDZBQOSA-N 1 2 356.470 2.906 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CCCCC1 ZINC001221048560 1034527406 /nfs/dbraw/zinc/52/74/06/1034527406.db2.gz WHWKHJNQCVDNRB-SJORKVTESA-N 1 2 361.511 2.642 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CCCCC1 ZINC001221048560 1034527416 /nfs/dbraw/zinc/52/74/16/1034527416.db2.gz WHWKHJNQCVDNRB-SJORKVTESA-N 1 2 361.511 2.642 20 30 FFEDLO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1)C(F)C(F)(F)F ZINC001226365327 1034651645 /nfs/dbraw/zinc/65/16/45/1034651645.db2.gz DOBOWAWVJTYSOR-BZUAXINKSA-N 1 2 356.363 2.956 20 30 FFEDLO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1)[C@@H](F)C(F)(F)F ZINC001226365327 1034651650 /nfs/dbraw/zinc/65/16/50/1034651650.db2.gz DOBOWAWVJTYSOR-BZUAXINKSA-N 1 2 356.363 2.956 20 30 FFEDLO C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 ZINC001221294470 1034654889 /nfs/dbraw/zinc/65/48/89/1034654889.db2.gz RYVVTQBZGMGLMG-PBFPGSCMSA-N 1 2 365.449 2.815 20 30 FFEDLO C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 ZINC001221294470 1034654894 /nfs/dbraw/zinc/65/48/94/1034654894.db2.gz RYVVTQBZGMGLMG-PBFPGSCMSA-N 1 2 365.449 2.815 20 30 FFEDLO CC(C)OCC(=O)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001221402759 1034714944 /nfs/dbraw/zinc/71/49/44/1034714944.db2.gz CYZPYIJTXBLNOW-IEBWSBKVSA-N 1 2 360.885 2.649 20 30 FFEDLO CC(C)OCC(=O)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001221402759 1034714955 /nfs/dbraw/zinc/71/49/55/1034714955.db2.gz CYZPYIJTXBLNOW-IEBWSBKVSA-N 1 2 360.885 2.649 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C)C[C@H]21 ZINC001221424971 1034743018 /nfs/dbraw/zinc/74/30/18/1034743018.db2.gz SUKBVOCJXORRSV-YQVWRLOYSA-N 1 2 355.482 2.821 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C)C[C@H]21 ZINC001221424971 1034743031 /nfs/dbraw/zinc/74/30/31/1034743031.db2.gz SUKBVOCJXORRSV-YQVWRLOYSA-N 1 2 355.482 2.821 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C)C[C@H]21 ZINC001221424972 1034743308 /nfs/dbraw/zinc/74/33/08/1034743308.db2.gz SUKBVOCJXORRSV-ZHALLVOQSA-N 1 2 355.482 2.821 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3C)C[C@H]21 ZINC001221424972 1034743324 /nfs/dbraw/zinc/74/33/24/1034743324.db2.gz SUKBVOCJXORRSV-ZHALLVOQSA-N 1 2 355.482 2.821 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2noc(CCC)n2)CCC1 ZINC001226720899 1034805520 /nfs/dbraw/zinc/80/55/20/1034805520.db2.gz XSYSUEPBHSNGAU-HZPDHXFCSA-N 1 2 358.486 2.733 20 30 FFEDLO CC[C@@H](C)OCC(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221483773 1034806783 /nfs/dbraw/zinc/80/67/83/1034806783.db2.gz BQENPLJODKBSRN-YVWKXTFCSA-N 1 2 358.457 2.525 20 30 FFEDLO CC[C@@H](C)OCC(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221483773 1034806797 /nfs/dbraw/zinc/80/67/97/1034806797.db2.gz BQENPLJODKBSRN-YVWKXTFCSA-N 1 2 358.457 2.525 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001221517731 1034834858 /nfs/dbraw/zinc/83/48/58/1034834858.db2.gz IUMDMVQSFZKHPD-LSBZLQRGSA-N 1 2 366.864 2.839 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001221517731 1034834869 /nfs/dbraw/zinc/83/48/69/1034834869.db2.gz IUMDMVQSFZKHPD-LSBZLQRGSA-N 1 2 366.864 2.839 20 30 FFEDLO Cc1oc(-c2ccco2)nc1C[N@H+]1CC[C@@H]2CN(C(=O)C#CC(C)C)[C@@H]2C1 ZINC001221535204 1034852636 /nfs/dbraw/zinc/85/26/36/1034852636.db2.gz RCTSVIUCQGJBSR-SJLPKXTDSA-N 1 2 367.449 2.935 20 30 FFEDLO Cc1oc(-c2ccco2)nc1C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC(C)C)[C@@H]2C1 ZINC001221535204 1034852645 /nfs/dbraw/zinc/85/26/45/1034852645.db2.gz RCTSVIUCQGJBSR-SJLPKXTDSA-N 1 2 367.449 2.935 20 30 FFEDLO CC(C)(C)C#CC(=O)N1C[C@H]2CC[N@H+](Cc3nc4ccccc4o3)C[C@H]21 ZINC001221534998 1034852925 /nfs/dbraw/zinc/85/29/25/1034852925.db2.gz IIBXGPRYSVJFKM-NVXWUHKLSA-N 1 2 351.450 2.910 20 30 FFEDLO CC(C)(C)C#CC(=O)N1C[C@H]2CC[N@@H+](Cc3nc4ccccc4o3)C[C@H]21 ZINC001221534998 1034852936 /nfs/dbraw/zinc/85/29/36/1034852936.db2.gz IIBXGPRYSVJFKM-NVXWUHKLSA-N 1 2 351.450 2.910 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4sccc4s3)[C@@H]2C1 ZINC001221646457 1034947997 /nfs/dbraw/zinc/94/79/97/1034947997.db2.gz BHTQLJRAUMBEDI-ZIAGYGMSSA-N 1 2 360.504 2.759 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4sccc4s3)[C@@H]2C1 ZINC001221646457 1034948001 /nfs/dbraw/zinc/94/80/01/1034948001.db2.gz BHTQLJRAUMBEDI-ZIAGYGMSSA-N 1 2 360.504 2.759 20 30 FFEDLO COCC(=O)c1ccc(O)cc1O[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001227171532 1034961558 /nfs/dbraw/zinc/96/15/58/1034961558.db2.gz DOGYRUILOLESAG-GOSISDBHSA-N 1 2 366.417 2.746 20 30 FFEDLO COCC(=O)c1ccc(O)cc1O[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001227171532 1034961562 /nfs/dbraw/zinc/96/15/62/1034961562.db2.gz DOGYRUILOLESAG-GOSISDBHSA-N 1 2 366.417 2.746 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@H+](Cc3c(C)nn(C)c3Cl)C[C@H]21 ZINC001221747932 1035035836 /nfs/dbraw/zinc/03/58/36/1035035836.db2.gz IDBGIEVUJJIDJJ-NVXWUHKLSA-N 1 2 362.905 2.608 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3c(C)nn(C)c3Cl)C[C@H]21 ZINC001221747932 1035035845 /nfs/dbraw/zinc/03/58/45/1035035845.db2.gz IDBGIEVUJJIDJJ-NVXWUHKLSA-N 1 2 362.905 2.608 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CCCCC3)C[C@H]21 ZINC001221782691 1035063683 /nfs/dbraw/zinc/06/36/83/1035063683.db2.gz JVHSUZMESFQKJO-RTBURBONSA-N 1 2 361.530 2.572 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CCCCC3)C[C@H]21 ZINC001221782691 1035063689 /nfs/dbraw/zinc/06/36/89/1035063689.db2.gz JVHSUZMESFQKJO-RTBURBONSA-N 1 2 361.530 2.572 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N[C@@H](C)CCC)C[C@H]32)CC1 ZINC001221793496 1035074711 /nfs/dbraw/zinc/07/47/11/1035074711.db2.gz DTQWSXCPZSCXDA-QXAKKESOSA-N 1 2 361.530 2.570 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@H+](CC(=O)N[C@@H](C)CCC)C[C@H]32)CC1 ZINC001221793496 1035074715 /nfs/dbraw/zinc/07/47/15/1035074715.db2.gz DTQWSXCPZSCXDA-QXAKKESOSA-N 1 2 361.530 2.570 20 30 FFEDLO COc1cc(C)nc(OC2CC[NH+](Cc3cc(C#N)ccc3F)CC2)n1 ZINC001139650420 1035190098 /nfs/dbraw/zinc/19/00/98/1035190098.db2.gz GGLGCSZAVSCBCH-UHFFFAOYSA-N 1 2 356.401 2.848 20 30 FFEDLO N#C[C@@H]1CCC[N@@H+](Cc2sc(N3CCC(O)CC3)nc2Cl)CC1 ZINC001140208990 1035382939 /nfs/dbraw/zinc/38/29/39/1035382939.db2.gz RTTXQUFSJPFIRP-GFCCVEGCSA-N 1 2 354.907 2.883 20 30 FFEDLO N#C[C@@H]1CCC[N@H+](Cc2sc(N3CCC(O)CC3)nc2Cl)CC1 ZINC001140208990 1035382943 /nfs/dbraw/zinc/38/29/43/1035382943.db2.gz RTTXQUFSJPFIRP-GFCCVEGCSA-N 1 2 354.907 2.883 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C#N)nc2)Cc2c1cnn2CC1CC1 ZINC001140541637 1035595131 /nfs/dbraw/zinc/59/51/31/1035595131.db2.gz NVPUDWXJWJAKJY-KRWDZBQOSA-N 1 2 351.454 2.696 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C#N)nc2)Cc2c1cnn2CC1CC1 ZINC001140541637 1035595138 /nfs/dbraw/zinc/59/51/38/1035595138.db2.gz NVPUDWXJWJAKJY-KRWDZBQOSA-N 1 2 351.454 2.696 20 30 FFEDLO CCn1ncc2c1C[N@H+](Cc1ccc(C#N)nc1)C[C@H]2COCC1CC1 ZINC001140541876 1035597705 /nfs/dbraw/zinc/59/77/05/1035597705.db2.gz WTDZGXJUNXMNQZ-KRWDZBQOSA-N 1 2 351.454 2.696 20 30 FFEDLO CCn1ncc2c1C[N@@H+](Cc1ccc(C#N)nc1)C[C@H]2COCC1CC1 ZINC001140541876 1035597713 /nfs/dbraw/zinc/59/77/13/1035597713.db2.gz WTDZGXJUNXMNQZ-KRWDZBQOSA-N 1 2 351.454 2.696 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccnc(C(F)(F)F)c1 ZINC001277656583 1035633440 /nfs/dbraw/zinc/63/34/40/1035633440.db2.gz BALSLWCXNBCQKV-KRWDZBQOSA-N 1 2 351.372 2.691 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccnc(C(F)(F)F)c1 ZINC001277656583 1035633449 /nfs/dbraw/zinc/63/34/49/1035633449.db2.gz BALSLWCXNBCQKV-KRWDZBQOSA-N 1 2 351.372 2.691 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2Cl)C[C@H]1O ZINC001140602217 1035706542 /nfs/dbraw/zinc/70/65/42/1035706542.db2.gz HMSHUGPYRBSXGD-HZPDHXFCSA-N 1 2 365.861 2.672 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Cl)C[C@H]1O ZINC001140602217 1035706551 /nfs/dbraw/zinc/70/65/51/1035706551.db2.gz HMSHUGPYRBSXGD-HZPDHXFCSA-N 1 2 365.861 2.672 20 30 FFEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001232674362 1035933903 /nfs/dbraw/zinc/93/39/03/1035933903.db2.gz YBTDYTQEPWRDQI-FQEVSTJZSA-N 1 2 355.438 2.874 20 30 FFEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001232674362 1035933911 /nfs/dbraw/zinc/93/39/11/1035933911.db2.gz YBTDYTQEPWRDQI-FQEVSTJZSA-N 1 2 355.438 2.874 20 30 FFEDLO CC[C@H]1[N@H+](Cc2cc(C#N)ccc2O)CCC[C@]12CCC(=O)N2CCOC ZINC001232677334 1035934977 /nfs/dbraw/zinc/93/49/77/1035934977.db2.gz KYPJFSLJJQJRGW-CTNGQTDRSA-N 1 2 371.481 2.646 20 30 FFEDLO CC[C@H]1[N@@H+](Cc2cc(C#N)ccc2O)CCC[C@]12CCC(=O)N2CCOC ZINC001232677334 1035934991 /nfs/dbraw/zinc/93/49/91/1035934991.db2.gz KYPJFSLJJQJRGW-CTNGQTDRSA-N 1 2 371.481 2.646 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CC2)OC(=O)Nc2ncccc23)c1 ZINC001232679124 1035937099 /nfs/dbraw/zinc/93/70/99/1035937099.db2.gz CXQIYRXQKYHRTQ-UHFFFAOYSA-N 1 2 350.378 2.712 20 30 FFEDLO N#Cc1ccc(F)cc1C[NH+]1CCC2(C[C@H](c3ccncc3)C(=O)N2)CC1 ZINC001232891188 1036134577 /nfs/dbraw/zinc/13/45/77/1036134577.db2.gz XEWDTXWREWYPAY-LJQANCHMSA-N 1 2 364.424 2.731 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)ccc1Br ZINC001232897127 1036137199 /nfs/dbraw/zinc/13/71/99/1036137199.db2.gz KNHCYWYXNIJAQF-CQSZACIVSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1cc(C[N@H+]2CC[C@@H](Oc3cnccn3)C2)ccc1Br ZINC001232897127 1036137212 /nfs/dbraw/zinc/13/72/12/1036137212.db2.gz KNHCYWYXNIJAQF-CQSZACIVSA-N 1 2 359.227 2.764 20 30 FFEDLO CN(C)c1ccc(C[NH+]2CC3(CN(c4ccccc4)C3=O)C2)c(F)c1C#N ZINC001233101270 1036346250 /nfs/dbraw/zinc/34/62/50/1036346250.db2.gz VAXFEXCPOYSDAO-UHFFFAOYSA-N 1 2 364.424 2.612 20 30 FFEDLO COc1ccc(OC)c(CN2CC[NH+](Cc3ccc(C#N)cc3O)CC2)c1 ZINC001233385761 1036589021 /nfs/dbraw/zinc/58/90/21/1036589021.db2.gz SOXIOBQSIZPUOX-UHFFFAOYSA-N 1 2 367.449 2.599 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cc(F)c(O)c(F)c3)C2)CC1 ZINC001140988159 1036625668 /nfs/dbraw/zinc/62/56/68/1036625668.db2.gz QADOXAVNUBFTTQ-UHFFFAOYSA-N 1 2 352.381 2.891 20 30 FFEDLO Cc1nnc(O[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)c1C ZINC001229439701 1036674513 /nfs/dbraw/zinc/67/45/13/1036674513.db2.gz QIJOPNPFLPEEIH-QFBILLFUSA-N 1 2 352.438 2.633 20 30 FFEDLO Cc1nnc(O[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)c1C ZINC001229439701 1036674519 /nfs/dbraw/zinc/67/45/19/1036674519.db2.gz QIJOPNPFLPEEIH-QFBILLFUSA-N 1 2 352.438 2.633 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277388227 1036680174 /nfs/dbraw/zinc/68/01/74/1036680174.db2.gz UKPBLNZUFKLWOS-SFHVURJKSA-N 1 2 350.821 2.775 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277388227 1036680182 /nfs/dbraw/zinc/68/01/82/1036680182.db2.gz UKPBLNZUFKLWOS-SFHVURJKSA-N 1 2 350.821 2.775 20 30 FFEDLO N#Cc1cccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001229596896 1036768865 /nfs/dbraw/zinc/76/88/65/1036768865.db2.gz FDCWGVDCOWRJAL-KRWDZBQOSA-N 1 2 353.378 2.746 20 30 FFEDLO N#Cc1cccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001229596896 1036768882 /nfs/dbraw/zinc/76/88/82/1036768882.db2.gz FDCWGVDCOWRJAL-KRWDZBQOSA-N 1 2 353.378 2.746 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)C1 ZINC001233948862 1036838107 /nfs/dbraw/zinc/83/81/07/1036838107.db2.gz OOCBHSBVZUKADY-HNNXBMFYSA-N 1 2 362.389 2.566 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)C1 ZINC001233948862 1036838125 /nfs/dbraw/zinc/83/81/25/1036838125.db2.gz OOCBHSBVZUKADY-HNNXBMFYSA-N 1 2 362.389 2.566 20 30 FFEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(OC)c(Cl)c1O)CC2 ZINC001277834082 1036934605 /nfs/dbraw/zinc/93/46/05/1036934605.db2.gz PXHBVVDCCHHAKR-AWEZNQCLSA-N 1 2 364.873 2.959 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1C[C@]2(F)CN(CC=C)C(=O)[C@]2(F)C1 ZINC001277840296 1036967232 /nfs/dbraw/zinc/96/72/32/1036967232.db2.gz BZLFAHBVTXOOCE-NZSAHSFTSA-N 1 2 356.457 2.634 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[N@H+]1C[C@]2(F)CN(CC=C)C(=O)[C@]2(F)C1 ZINC001277840296 1036967248 /nfs/dbraw/zinc/96/72/48/1036967248.db2.gz BZLFAHBVTXOOCE-NZSAHSFTSA-N 1 2 356.457 2.634 20 30 FFEDLO Cc1nc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C2)nc2ccccc12 ZINC001206951076 1036972431 /nfs/dbraw/zinc/97/24/31/1036972431.db2.gz WEAICGOQUMOTHG-DNVCBOLYSA-N 1 2 364.493 2.924 20 30 FFEDLO Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C2)nc2ccccc12 ZINC001206951076 1036972444 /nfs/dbraw/zinc/97/24/44/1036972444.db2.gz WEAICGOQUMOTHG-DNVCBOLYSA-N 1 2 364.493 2.924 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2coc(-c3cccs3)n2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206953161 1036977766 /nfs/dbraw/zinc/97/77/66/1036977766.db2.gz UTDCBZZOQWWVSV-CZUORRHYSA-N 1 2 355.463 2.753 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2coc(-c3cccs3)n2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206953161 1036977785 /nfs/dbraw/zinc/97/77/85/1036977785.db2.gz UTDCBZZOQWWVSV-CZUORRHYSA-N 1 2 355.463 2.753 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2Cl)C[C@H]1C ZINC001206955360 1036981190 /nfs/dbraw/zinc/98/11/90/1036981190.db2.gz RREBCMWEGFAZQB-IIYDPXPESA-N 1 2 369.292 2.968 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2Cl)C[C@H]1C ZINC001206955360 1036981204 /nfs/dbraw/zinc/98/12/04/1036981204.db2.gz RREBCMWEGFAZQB-IIYDPXPESA-N 1 2 369.292 2.968 20 30 FFEDLO C#C[C@@H](Oc1nc(=O)[nH]c(CN2CCCC2=[NH2+])c1Cl)c1ccncc1 ZINC001230093081 1037085008 /nfs/dbraw/zinc/08/50/08/1037085008.db2.gz KLSRKJJCMARZNX-CYBMUJFWSA-N 1 2 357.801 2.557 20 30 FFEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1n[nH]c3ccc(F)cc13)CC2 ZINC001276512381 1037205940 /nfs/dbraw/zinc/20/59/40/1037205940.db2.gz VUNDOESWTPMQAN-INIZCTEOSA-N 1 2 356.445 2.996 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2csc(C)n2)C[C@H]1C)OCC ZINC001207263576 1037298043 /nfs/dbraw/zinc/29/80/43/1037298043.db2.gz WTCXSRFMXMLPJF-XYPHTWIQSA-N 1 2 351.516 2.759 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2csc(C)n2)C[C@H]1C)OCC ZINC001207263576 1037298057 /nfs/dbraw/zinc/29/80/57/1037298057.db2.gz WTCXSRFMXMLPJF-XYPHTWIQSA-N 1 2 351.516 2.759 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](CC=C(Cl)Cl)C[C@H]2C)CCOCC1 ZINC001207491633 1037489514 /nfs/dbraw/zinc/48/95/14/1037489514.db2.gz JSGJHDXIPFSRHA-ZIAGYGMSSA-N 1 2 359.297 2.562 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](CC=C(Cl)Cl)C[C@H]2C)CCOCC1 ZINC001207491633 1037489521 /nfs/dbraw/zinc/48/95/21/1037489521.db2.gz JSGJHDXIPFSRHA-ZIAGYGMSSA-N 1 2 359.297 2.562 20 30 FFEDLO Cn1cc(C[N@@H+]2CCC23CN(Cc2ccc(Cl)cc2C#N)C3)cc1C#N ZINC001278871297 1038008127 /nfs/dbraw/zinc/00/81/27/1038008127.db2.gz HEKRVNJWNSPRFF-UHFFFAOYSA-N 1 2 365.868 2.882 20 30 FFEDLO Cn1cc(C[N@H+]2CCC23CN(Cc2ccc(Cl)cc2C#N)C3)cc1C#N ZINC001278871297 1038008130 /nfs/dbraw/zinc/00/81/30/1038008130.db2.gz HEKRVNJWNSPRFF-UHFFFAOYSA-N 1 2 365.868 2.882 20 30 FFEDLO C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc(F)c(O)c3F)C2)C1=O ZINC001277992135 1038168319 /nfs/dbraw/zinc/16/83/19/1038168319.db2.gz DLPHAZSIOGOAEB-LJQANCHMSA-N 1 2 364.392 2.588 20 30 FFEDLO CCC[C@H](OC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001208288983 1038191366 /nfs/dbraw/zinc/19/13/66/1038191366.db2.gz JNLPKTYEBUEPDY-LZQZEXGQSA-N 1 2 362.901 2.943 20 30 FFEDLO CCC[C@H](OC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001208288983 1038191378 /nfs/dbraw/zinc/19/13/78/1038191378.db2.gz JNLPKTYEBUEPDY-LZQZEXGQSA-N 1 2 362.901 2.943 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001208312260 1038205863 /nfs/dbraw/zinc/20/58/63/1038205863.db2.gz IHTCETYIONDTGE-UYAOXDASSA-N 1 2 369.509 2.954 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001208312260 1038205876 /nfs/dbraw/zinc/20/58/76/1038205876.db2.gz IHTCETYIONDTGE-UYAOXDASSA-N 1 2 369.509 2.954 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C)c2C)C[C@H]1C ZINC001208317997 1038208894 /nfs/dbraw/zinc/20/88/94/1038208894.db2.gz FCMHCDNCGWHQJA-CRAIPNDOSA-N 1 2 357.498 2.891 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(C)c2C)C[C@H]1C ZINC001208317997 1038208906 /nfs/dbraw/zinc/20/89/06/1038208906.db2.gz FCMHCDNCGWHQJA-CRAIPNDOSA-N 1 2 357.498 2.891 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001208393344 1038280695 /nfs/dbraw/zinc/28/06/95/1038280695.db2.gz PKYZDDMEEVHNSP-ZHALLVOQSA-N 1 2 357.498 2.972 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001208393344 1038280707 /nfs/dbraw/zinc/28/07/07/1038280707.db2.gz PKYZDDMEEVHNSP-ZHALLVOQSA-N 1 2 357.498 2.972 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001208508985 1038372000 /nfs/dbraw/zinc/37/20/00/1038372000.db2.gz NSHAMIBLUDXRGV-BLIXFSHQSA-N 1 2 357.498 2.972 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001208508985 1038372014 /nfs/dbraw/zinc/37/20/14/1038372014.db2.gz NSHAMIBLUDXRGV-BLIXFSHQSA-N 1 2 357.498 2.972 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cc4n(n3)CCCC4)C[C@H]2C)CC1 ZINC001208515331 1038376509 /nfs/dbraw/zinc/37/65/09/1038376509.db2.gz HURHZPXVVJPEMQ-VQIMIIECSA-N 1 2 356.514 2.902 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3cc4n(n3)CCCC4)C[C@H]2C)CC1 ZINC001208515331 1038376515 /nfs/dbraw/zinc/37/65/15/1038376515.db2.gz HURHZPXVVJPEMQ-VQIMIIECSA-N 1 2 356.514 2.902 20 30 FFEDLO N#Cc1ccc(C[NH+]2CC3(CN(C(=O)NCc4ccc(F)cc4)C3)C2)s1 ZINC001278925633 1038464572 /nfs/dbraw/zinc/46/45/72/1038464572.db2.gz HYEMMPVTGKNWPV-UHFFFAOYSA-N 1 2 370.453 2.786 20 30 FFEDLO CCn1ccnc1C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1cc(F)ccc1C#N)C2 ZINC001278940193 1038532487 /nfs/dbraw/zinc/53/24/87/1038532487.db2.gz XWUAFSLGBXCQNS-BEFAXECRSA-N 1 2 353.445 2.620 20 30 FFEDLO CCn1ccnc1C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1cc(F)ccc1C#N)C2 ZINC001278940193 1038532493 /nfs/dbraw/zinc/53/24/93/1038532493.db2.gz XWUAFSLGBXCQNS-BEFAXECRSA-N 1 2 353.445 2.620 20 30 FFEDLO C=CCN1CC2(CCC1=O)CC[NH+](CC(=O)c1ccc(C#N)cc1)CC2 ZINC001276628271 1038738126 /nfs/dbraw/zinc/73/81/26/1038738126.db2.gz XPKJNGDTBXSIGD-UHFFFAOYSA-N 1 2 351.450 2.632 20 30 FFEDLO CCOC(=O)[C@H](CS)[NH2+]C1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257575269 1038874750 /nfs/dbraw/zinc/87/47/50/1038874750.db2.gz VVMCWAUJBQODLT-OBJOEFQTSA-N 1 2 360.520 2.614 20 30 FFEDLO COC(=O)[C@H](CS)[NH2+][C@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257789063 1038977236 /nfs/dbraw/zinc/97/72/36/1038977236.db2.gz CWLUSZOAMGBTPM-DEYYWGMASA-N 1 2 372.531 2.617 20 30 FFEDLO COC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001209896705 1039280932 /nfs/dbraw/zinc/28/09/32/1039280932.db2.gz NIGSKRWBCMONPI-FRQCXROJSA-N 1 2 362.901 2.801 20 30 FFEDLO COC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001209896705 1039280945 /nfs/dbraw/zinc/28/09/45/1039280945.db2.gz NIGSKRWBCMONPI-FRQCXROJSA-N 1 2 362.901 2.801 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1Cc1c(Br)cccc1Br ZINC001210121026 1039392939 /nfs/dbraw/zinc/39/29/39/1039392939.db2.gz JDMVZVACTNDELM-SECBINFHSA-N 1 2 359.065 2.509 20 30 FFEDLO CCCCCCCC[C@@H](O)CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC001252123922 1039440096 /nfs/dbraw/zinc/44/00/96/1039440096.db2.gz MREKQEBWAKHTOR-LJQANCHMSA-N 1 2 352.523 2.739 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](OC)c2ccccc2)C1 ZINC001210454780 1039558811 /nfs/dbraw/zinc/55/88/11/1039558811.db2.gz JIIDSGHSZNGWHP-DAXOMENPSA-N 1 2 367.287 2.719 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](OC)c2ccccc2)C1 ZINC001210454780 1039558824 /nfs/dbraw/zinc/55/88/24/1039558824.db2.gz JIIDSGHSZNGWHP-DAXOMENPSA-N 1 2 367.287 2.719 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COc2ccc(OCC)cc2)C1 ZINC001210801987 1039745332 /nfs/dbraw/zinc/74/53/32/1039745332.db2.gz WICYGUIXSUQHGP-CXAGYDPISA-N 1 2 352.862 2.653 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COc2ccc(OCC)cc2)C1 ZINC001210801987 1039745346 /nfs/dbraw/zinc/74/53/46/1039745346.db2.gz WICYGUIXSUQHGP-CXAGYDPISA-N 1 2 352.862 2.653 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1C ZINC001211217848 1040003848 /nfs/dbraw/zinc/00/38/48/1040003848.db2.gz IYKIHFRIXZWRPR-HHXXYDBFSA-N 1 2 370.522 2.910 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1C ZINC001211217848 1040003861 /nfs/dbraw/zinc/00/38/61/1040003861.db2.gz IYKIHFRIXZWRPR-HHXXYDBFSA-N 1 2 370.522 2.910 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+](CC(=O)c3cc(F)ccc3O)CC2)C1=O ZINC001276698073 1040121308 /nfs/dbraw/zinc/12/13/08/1040121308.db2.gz MTEQLJLZUVRXCE-FQEVSTJZSA-N 1 2 360.429 2.605 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+](CC(=O)c3cc(F)ccc3O)CC2)C1=O ZINC001276698073 1040121311 /nfs/dbraw/zinc/12/13/11/1040121311.db2.gz MTEQLJLZUVRXCE-FQEVSTJZSA-N 1 2 360.429 2.605 20 30 FFEDLO Cn1c(Br)ccc1C[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001248776132 1040418226 /nfs/dbraw/zinc/41/82/26/1040418226.db2.gz JATUAMPPZWSFMU-UHFFFAOYSA-N 1 2 374.286 2.767 20 30 FFEDLO Cn1c(Br)ccc1C[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001248776132 1040418233 /nfs/dbraw/zinc/41/82/33/1040418233.db2.gz JATUAMPPZWSFMU-UHFFFAOYSA-N 1 2 374.286 2.767 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)C[C@H]1OC ZINC001213317527 1040442429 /nfs/dbraw/zinc/44/24/29/1040442429.db2.gz NDXHKKPHJZRBGM-LSBZLQRGSA-N 1 2 364.461 2.752 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(F)c2)C[C@H]1OC ZINC001213317527 1040442443 /nfs/dbraw/zinc/44/24/43/1040442443.db2.gz NDXHKKPHJZRBGM-LSBZLQRGSA-N 1 2 364.461 2.752 20 30 FFEDLO N#Cc1ccn2ncc(C[NH+]3CCN(c4ccc(Cl)cn4)CC3)c2c1 ZINC001249113368 1040583684 /nfs/dbraw/zinc/58/36/84/1040583684.db2.gz HRACYOGFJHMAJO-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2cnn3ccc(C#N)cc23)CC[C@H]1F ZINC001249113823 1040587302 /nfs/dbraw/zinc/58/73/02/1040587302.db2.gz OTRPVYPXQXLMQN-CVEARBPZSA-N 1 2 373.432 2.643 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2cnn3ccc(C#N)cc23)CC[C@H]1F ZINC001249113823 1040587309 /nfs/dbraw/zinc/58/73/09/1040587309.db2.gz OTRPVYPXQXLMQN-CVEARBPZSA-N 1 2 373.432 2.643 20 30 FFEDLO Cc1ncc(C#N)cc1Nc1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001213481385 1040592260 /nfs/dbraw/zinc/59/22/60/1040592260.db2.gz DPJUARGCLNPBMH-UHFFFAOYSA-N 1 2 356.401 2.855 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CC(Oc3ccccc3C#N)C2)CC1=O ZINC001254263104 1040647179 /nfs/dbraw/zinc/64/71/79/1040647179.db2.gz VNGSIWMWZLSDQG-HNNXBMFYSA-N 1 2 371.437 2.547 20 30 FFEDLO C#Cc1cc(Nc2cn(S(=O)(=O)c3ccccc3)c3cnccc23)cc[nH+]1 ZINC001213674595 1040783736 /nfs/dbraw/zinc/78/37/36/1040783736.db2.gz GEQYMBPHXNMSAP-UHFFFAOYSA-N 1 2 374.425 2.815 20 30 FFEDLO N#CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2Cl)CCOCC1 ZINC001278524143 1040941853 /nfs/dbraw/zinc/94/18/53/1040941853.db2.gz GYSJHFZUOMYNLA-CALCHBBNSA-N 1 2 373.884 2.836 20 30 FFEDLO N#CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2Cl)CCOCC1 ZINC001278524143 1040941877 /nfs/dbraw/zinc/94/18/77/1040941877.db2.gz GYSJHFZUOMYNLA-CALCHBBNSA-N 1 2 373.884 2.836 20 30 FFEDLO CN(C)S(=O)(=O)c1ccc(N[NH+]=Cc2ccccc2N2CCCC2)cc1 ZINC001261210893 1041072749 /nfs/dbraw/zinc/07/27/49/1041072749.db2.gz CRIUUIOSPJNBLL-UHFFFAOYSA-N 1 2 372.494 2.983 20 30 FFEDLO C#CC[C@H](CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1OC)c1ccccc1 ZINC001213994889 1041144988 /nfs/dbraw/zinc/14/49/88/1041144988.db2.gz GNWKIYDEXHGNRU-BYNCYXQVSA-N 1 2 360.885 2.752 20 30 FFEDLO C#CC[C@H](CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1OC)c1ccccc1 ZINC001213994889 1041144994 /nfs/dbraw/zinc/14/49/94/1041144994.db2.gz GNWKIYDEXHGNRU-BYNCYXQVSA-N 1 2 360.885 2.752 20 30 FFEDLO CCOC(=O)c1cn2nc([C@@H]3CCC[N@@H+]([C@H](CC)CC#N)C3)sc2n1 ZINC001255177106 1041182682 /nfs/dbraw/zinc/18/26/82/1041182682.db2.gz MLIVGBZXLRMSSH-CHWSQXEVSA-N 1 2 361.471 2.839 20 30 FFEDLO CCOC(=O)c1cn2nc([C@@H]3CCC[N@H+]([C@H](CC)CC#N)C3)sc2n1 ZINC001255177106 1041182691 /nfs/dbraw/zinc/18/26/91/1041182691.db2.gz MLIVGBZXLRMSSH-CHWSQXEVSA-N 1 2 361.471 2.839 20 30 FFEDLO C=CCN(CC=C)C(=O)CSCc1cccc(C[NH+]2CCOCC2)c1 ZINC001261386834 1041207149 /nfs/dbraw/zinc/20/71/49/1041207149.db2.gz JAEKZGFFDOENOY-UHFFFAOYSA-N 1 2 360.523 2.953 20 30 FFEDLO N#Cc1ccc(Cc2cnc(NC(=O)N[C@H]3Cc4c[nH+]cn4C3)s2)cc1 ZINC001214532011 1041470646 /nfs/dbraw/zinc/47/06/46/1041470646.db2.gz XZOXETCJJJXTRD-AWEZNQCLSA-N 1 2 364.434 2.548 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC001214741244 1041556942 /nfs/dbraw/zinc/55/69/42/1041556942.db2.gz BHQHWFXACZRBQV-SJLPKXTDSA-N 1 2 353.470 2.560 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C(C)C)no2)C1)OCC ZINC001214752452 1041562468 /nfs/dbraw/zinc/56/24/68/1041562468.db2.gz IECYJSXCYRTAGX-OAGGEKHMSA-N 1 2 364.490 2.501 20 30 FFEDLO C#CCC1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C(F)F)s3)C2)CCC1 ZINC001214829583 1041586566 /nfs/dbraw/zinc/58/65/66/1041586566.db2.gz AFILVGAVXDXFRT-VXGBXAGGSA-N 1 2 368.453 2.606 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(Cc3ccccc3)no2)C1 ZINC001215427613 1041778658 /nfs/dbraw/zinc/77/86/58/1041778658.db2.gz FYVLJBYZUPWBHS-SJLPKXTDSA-N 1 2 368.481 2.953 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCc2ccc(O)cc2C1 ZINC001262948165 1041981724 /nfs/dbraw/zinc/98/17/24/1041981724.db2.gz CQTPZYUPXHFQOB-SFHVURJKSA-N 1 2 353.470 2.889 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCc2ccc(O)cc2C1 ZINC001262948165 1041981731 /nfs/dbraw/zinc/98/17/31/1041981731.db2.gz CQTPZYUPXHFQOB-SFHVURJKSA-N 1 2 353.470 2.889 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001262951977 1041984667 /nfs/dbraw/zinc/98/46/67/1041984667.db2.gz GDXBLOVXQRZACW-ZIAGYGMSSA-N 1 2 373.423 2.606 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@H](CCF)C1 ZINC001263341747 1042250690 /nfs/dbraw/zinc/25/06/90/1042250690.db2.gz XNMSHQRYPALIHB-CVEARBPZSA-N 1 2 351.470 2.576 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@H](CCF)C1 ZINC001263341747 1042250697 /nfs/dbraw/zinc/25/06/97/1042250697.db2.gz XNMSHQRYPALIHB-CVEARBPZSA-N 1 2 351.470 2.576 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1C[C@@H]1CCCO1 ZINC001263437013 1042309044 /nfs/dbraw/zinc/30/90/44/1042309044.db2.gz ILUKABNGKOZGIY-FGTMMUONSA-N 1 2 370.501 2.747 20 30 FFEDLO C=CC1CCN(c2nnc(Cc3[nH+]ccn3C)n2C[C@H]2CCCCO2)CC1 ZINC001263585634 1042386676 /nfs/dbraw/zinc/38/66/76/1042386676.db2.gz WKESPYIRAHUIBX-QGZVFWFLSA-N 1 2 370.501 2.574 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C4CC4)no3)CC[C@@H]2C1 ZINC001264094923 1042622432 /nfs/dbraw/zinc/62/24/32/1042622432.db2.gz WLJNXPXZWBJGBK-UAGQMJEPSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[N@H+](Cc3nc(C4CC4)no3)CC[C@@H]2C1 ZINC001264094923 1042622436 /nfs/dbraw/zinc/62/24/36/1042622436.db2.gz WLJNXPXZWBJGBK-UAGQMJEPSA-N 1 2 358.486 2.830 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(CC)cc2)[C@@H]1C ZINC001264156023 1042642080 /nfs/dbraw/zinc/64/20/80/1042642080.db2.gz IZZLYTUOKAAZEU-XLIONFOSSA-N 1 2 369.509 2.960 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(CC)cc2)[C@@H]1C ZINC001264156023 1042642081 /nfs/dbraw/zinc/64/20/81/1042642081.db2.gz IZZLYTUOKAAZEU-XLIONFOSSA-N 1 2 369.509 2.960 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C[C@H](C=C)CC)[C@H]2C)c1 ZINC001264157471 1042642838 /nfs/dbraw/zinc/64/28/38/1042642838.db2.gz HPBCTHAXIJKLOT-HLIPFELVSA-N 1 2 367.493 2.788 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C[C@H](C=C)CC)[C@H]2C)c1 ZINC001264157471 1042642840 /nfs/dbraw/zinc/64/28/40/1042642840.db2.gz HPBCTHAXIJKLOT-HLIPFELVSA-N 1 2 367.493 2.788 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cnon2)C[C@H]1c1ccccc1 ZINC001264445341 1042672907 /nfs/dbraw/zinc/67/29/07/1042672907.db2.gz DDLSGGHUYOBETD-ZWKOTPCHSA-N 1 2 354.454 2.756 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cnon2)C[C@H]1c1ccccc1 ZINC001264445341 1042672910 /nfs/dbraw/zinc/67/29/10/1042672910.db2.gz DDLSGGHUYOBETD-ZWKOTPCHSA-N 1 2 354.454 2.756 20 30 FFEDLO Cc1noc([C@@H](C)[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)C#CC(C)C)C2)n1 ZINC001264445722 1042673779 /nfs/dbraw/zinc/67/37/79/1042673779.db2.gz SGGRKZIMMKMELP-AYOQOUSVSA-N 1 2 366.465 2.683 20 30 FFEDLO Cc1noc([C@@H](C)[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)C#CC(C)C)C2)n1 ZINC001264445722 1042673783 /nfs/dbraw/zinc/67/37/83/1042673783.db2.gz SGGRKZIMMKMELP-AYOQOUSVSA-N 1 2 366.465 2.683 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C4CC4)nn3C)CC[C@@H]2C1 ZINC001264650523 1042770062 /nfs/dbraw/zinc/77/00/62/1042770062.db2.gz VBMCBMYUXKGSJU-NXHRZFHOSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[N@H+](Cc3nc(C4CC4)nn3C)CC[C@@H]2C1 ZINC001264650523 1042770068 /nfs/dbraw/zinc/77/00/68/1042770068.db2.gz VBMCBMYUXKGSJU-NXHRZFHOSA-N 1 2 371.529 2.575 20 30 FFEDLO Cc1ccc(C[NH+]2CC3(CN(C(=O)C4(C#N)CCOCC4)C3)C2)cc1Cl ZINC001279252878 1042967578 /nfs/dbraw/zinc/96/75/78/1042967578.db2.gz CQRBCNKBUFREEF-UHFFFAOYSA-N 1 2 373.884 2.613 20 30 FFEDLO Cn1cc(C[NH+]2CC3(C2)CCCN(Cc2ccc(F)nc2)C3)cc1C#N ZINC001279411477 1043073748 /nfs/dbraw/zinc/07/37/48/1043073748.db2.gz XHASXJUNWDGLQE-UHFFFAOYSA-N 1 2 353.445 2.529 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3[nH]nc4cc(OC)ccc43)C2)CC1 ZINC001237385989 1043129466 /nfs/dbraw/zinc/12/94/66/1043129466.db2.gz PSYDWRGHHMSLPQ-UHFFFAOYSA-N 1 2 370.453 2.792 20 30 FFEDLO COc1cc(C#N)ccc1C(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001279458541 1043138567 /nfs/dbraw/zinc/13/85/67/1043138567.db2.gz DNCQYERIWMXYSB-UHFFFAOYSA-N 1 2 367.371 2.810 20 30 FFEDLO COc1cc(C#N)ccc1C(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001279458541 1043138574 /nfs/dbraw/zinc/13/85/74/1043138574.db2.gz DNCQYERIWMXYSB-UHFFFAOYSA-N 1 2 367.371 2.810 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C[N@@H+]2Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237603691 1043264995 /nfs/dbraw/zinc/26/49/95/1043264995.db2.gz FHIMQFBLQUUHCP-RDJZCZTQSA-N 1 2 367.453 2.647 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C[N@H+]2Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237603691 1043265004 /nfs/dbraw/zinc/26/50/04/1043265004.db2.gz FHIMQFBLQUUHCP-RDJZCZTQSA-N 1 2 367.453 2.647 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1cccc2nccc(C)c12 ZINC001237624914 1043279959 /nfs/dbraw/zinc/27/99/59/1043279959.db2.gz CUVQREFDPMUACK-LJQANCHMSA-N 1 2 363.465 2.974 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1cccc2nccc(C)c12 ZINC001237624914 1043279965 /nfs/dbraw/zinc/27/99/65/1043279965.db2.gz CUVQREFDPMUACK-LJQANCHMSA-N 1 2 363.465 2.974 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)c(Cl)c1 ZINC001238085221 1043524571 /nfs/dbraw/zinc/52/45/71/1043524571.db2.gz YECKSPPUPXUWQI-QGZVFWFLSA-N 1 2 361.873 2.719 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)c(Cl)c1 ZINC001238085221 1043524580 /nfs/dbraw/zinc/52/45/80/1043524580.db2.gz YECKSPPUPXUWQI-QGZVFWFLSA-N 1 2 361.873 2.719 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)ccc1Cl ZINC001238195389 1043601571 /nfs/dbraw/zinc/60/15/71/1043601571.db2.gz GLQGQMLDZSRJEU-QGZVFWFLSA-N 1 2 361.873 2.719 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)ccc1Cl ZINC001238195389 1043601573 /nfs/dbraw/zinc/60/15/73/1043601573.db2.gz GLQGQMLDZSRJEU-QGZVFWFLSA-N 1 2 361.873 2.719 20 30 FFEDLO N#CCC1CN(C(=O)[C@H]2CC23C[NH+](Cc2ccccc2Br)C3)C1 ZINC001279944642 1043961208 /nfs/dbraw/zinc/96/12/08/1043961208.db2.gz NVQZLMQLHNUQSI-OAHLLOKOSA-N 1 2 374.282 2.643 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)c(Cl)c1 ZINC001280037773 1044117681 /nfs/dbraw/zinc/11/76/81/1044117681.db2.gz GFKNQRYALZCBOZ-MOPGFXCFSA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)c(Cl)c1 ZINC001280037773 1044117686 /nfs/dbraw/zinc/11/76/86/1044117686.db2.gz GFKNQRYALZCBOZ-MOPGFXCFSA-N 1 2 356.857 2.625 20 30 FFEDLO Cn1cc(C[N@@H+]2CCC23CN(Cc2ccc(Cl)c(C#N)c2)C3)cc1C#N ZINC001280075072 1044174797 /nfs/dbraw/zinc/17/47/97/1044174797.db2.gz VTXSWVTUROSUBB-UHFFFAOYSA-N 1 2 365.868 2.882 20 30 FFEDLO Cn1cc(C[N@H+]2CCC23CN(Cc2ccc(Cl)c(C#N)c2)C3)cc1C#N ZINC001280075072 1044174799 /nfs/dbraw/zinc/17/47/99/1044174799.db2.gz VTXSWVTUROSUBB-UHFFFAOYSA-N 1 2 365.868 2.882 20 30 FFEDLO CCN(C(=O)[C@@H]1CC12C[NH+](Cc1sc(N)c(C#N)c1Cl)C2)C(C)C ZINC001280079211 1044179408 /nfs/dbraw/zinc/17/94/08/1044179408.db2.gz XBFXZSSMRSNCEO-LBPRGKRZSA-N 1 2 366.918 2.934 20 30 FFEDLO C=C(C)[C@@H]1CC=C(C[NH+]2CC3(C2)CC[C@H](C(=O)N(C)CCOC)O3)CC1 ZINC001280235206 1044441706 /nfs/dbraw/zinc/44/17/06/1044441706.db2.gz VMYPLQGWKXUBFY-RTBURBONSA-N 1 2 362.514 2.627 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3ccc4c(c3)CC/C4=N/O)cn2)CC1 ZINC001241567490 1044550895 /nfs/dbraw/zinc/55/08/95/1044550895.db2.gz ACCPUWUEHMFTLJ-GFMRDNFCSA-N 1 2 365.481 2.532 20 30 FFEDLO C=CCC1(C(=O)NC[C@H](C2CC2)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001280962983 1044781349 /nfs/dbraw/zinc/78/13/49/1044781349.db2.gz GZOVFJZUROFPHR-JFIYKMOQSA-N 1 2 370.497 2.613 20 30 FFEDLO C=CCC1(C(=O)NC[C@H](C2CC2)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001280962983 1044781353 /nfs/dbraw/zinc/78/13/53/1044781353.db2.gz GZOVFJZUROFPHR-JFIYKMOQSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@@H+](Cc2csc(CCCC)n2)[C@@H]1C ZINC001316781836 1044947044 /nfs/dbraw/zinc/94/70/44/1044947044.db2.gz ZJBUSVVPQHRQSZ-ALKREAHSSA-N 1 2 365.543 2.892 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](Cc2csc(CCCC)n2)[C@@H]1C ZINC001316781836 1044947051 /nfs/dbraw/zinc/94/70/51/1044947051.db2.gz ZJBUSVVPQHRQSZ-ALKREAHSSA-N 1 2 365.543 2.892 20 30 FFEDLO N#Cc1cc2c(nc1-c1ccc(OCC[NH+]3CCOCC3)cc1F)CCC2 ZINC001244137876 1045090672 /nfs/dbraw/zinc/09/06/72/1045090672.db2.gz YLFYDOMYPCFWRV-UHFFFAOYSA-N 1 2 367.424 2.959 20 30 FFEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001317819087 1045146833 /nfs/dbraw/zinc/14/68/33/1045146833.db2.gz PONQKPVTODUMHA-NHCUHLMSSA-N 1 2 355.526 2.832 20 30 FFEDLO C=C[C@H](COC)NC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001320592703 1045433919 /nfs/dbraw/zinc/43/39/19/1045433919.db2.gz SQXNDVBTEFELMV-MRXNPFEDSA-N 1 2 371.403 2.734 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1C ZINC001282350239 1045519182 /nfs/dbraw/zinc/51/91/82/1045519182.db2.gz LKVJLSCZSBCAID-APWZRJJASA-N 1 2 366.465 2.948 20 30 FFEDLO C=C(C)CCC(=O)NCC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001282543150 1045823326 /nfs/dbraw/zinc/82/33/26/1045823326.db2.gz JGXWXZRNERZECE-IAGOWNOFSA-N 1 2 368.481 2.905 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1C(C)(C)C)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001324407530 1046011363 /nfs/dbraw/zinc/01/13/63/1046011363.db2.gz LAIWMMLDLJKLCL-RTBURBONSA-N 1 2 356.514 2.529 20 30 FFEDLO C#CCOCC[N@@H+](C)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC001324515983 1046076297 /nfs/dbraw/zinc/07/62/97/1046076297.db2.gz JUVIBVXUSXWTGP-UHFFFAOYSA-N 1 2 352.394 2.782 20 30 FFEDLO C#CCOCC[N@H+](C)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC001324515983 1046076307 /nfs/dbraw/zinc/07/63/07/1046076307.db2.gz JUVIBVXUSXWTGP-UHFFFAOYSA-N 1 2 352.394 2.782 20 30 FFEDLO C#CCCCCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001284405982 1046532047 /nfs/dbraw/zinc/53/20/47/1046532047.db2.gz AZNSREDQPDHBKW-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO C#CCCCCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001284405982 1046532057 /nfs/dbraw/zinc/53/20/57/1046532057.db2.gz AZNSREDQPDHBKW-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 ZINC001286470073 1047119677 /nfs/dbraw/zinc/11/96/77/1047119677.db2.gz RYYWWXKBAOBANE-UWJYYQICSA-N 1 2 373.545 2.679 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CCCCC)CC1 ZINC001286473774 1047121567 /nfs/dbraw/zinc/12/15/67/1047121567.db2.gz SYDHFEDBRVTVID-UHFFFAOYSA-N 1 2 367.497 2.899 20 30 FFEDLO C=C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001286645861 1047147569 /nfs/dbraw/zinc/14/75/69/1047147569.db2.gz IEJFNVOIJWARKN-MRXNPFEDSA-N 1 2 369.469 2.780 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001287363099 1047255249 /nfs/dbraw/zinc/25/52/49/1047255249.db2.gz IZPLHGCRNJCIEM-HZPDHXFCSA-N 1 2 358.486 2.565 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001287363099 1047255263 /nfs/dbraw/zinc/25/52/63/1047255263.db2.gz IZPLHGCRNJCIEM-HZPDHXFCSA-N 1 2 358.486 2.565 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001290665615 1048292523 /nfs/dbraw/zinc/29/25/23/1048292523.db2.gz ZNWQJTWCQXILML-LZWOXQAQSA-N 1 2 354.454 2.884 20 30 FFEDLO COc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)cc1C#N ZINC001332387442 1048372736 /nfs/dbraw/zinc/37/27/36/1048372736.db2.gz STUZISHHEPLNLD-GOSISDBHSA-N 1 2 350.422 2.955 20 30 FFEDLO COc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)cc1C#N ZINC001332387442 1048372748 /nfs/dbraw/zinc/37/27/48/1048372748.db2.gz STUZISHHEPLNLD-GOSISDBHSA-N 1 2 350.422 2.955 20 30 FFEDLO C[C@@H]1C[NH+](Cc2cnc(NC(=O)OC(C)(C)C)s2)C[C@@H](C)N1CC#N ZINC001332722944 1048528691 /nfs/dbraw/zinc/52/86/91/1048528691.db2.gz CZRTYWVXZAZQQD-CHWSQXEVSA-N 1 2 365.503 2.908 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001329695312 1048861890 /nfs/dbraw/zinc/86/18/90/1048861890.db2.gz ZBHNUOTXYQLEIX-GUDVDZBRSA-N 1 2 371.529 2.711 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001296777336 1050093375 /nfs/dbraw/zinc/09/33/75/1050093375.db2.gz ZJQXRMLVFKRHAT-BRWVUGGUSA-N 1 2 358.486 2.709 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001296777336 1050093378 /nfs/dbraw/zinc/09/33/78/1050093378.db2.gz ZJQXRMLVFKRHAT-BRWVUGGUSA-N 1 2 358.486 2.709 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)Cc1ccoc1 ZINC001342013323 1050608916 /nfs/dbraw/zinc/60/89/16/1050608916.db2.gz YLXDSVBRJNGOAN-IAGOWNOFSA-N 1 2 357.458 2.619 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)Cc1ccoc1 ZINC001342013323 1050608925 /nfs/dbraw/zinc/60/89/25/1050608925.db2.gz YLXDSVBRJNGOAN-IAGOWNOFSA-N 1 2 357.458 2.619 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(Cc1ccccc1)C(C)C ZINC001340252572 1050659621 /nfs/dbraw/zinc/65/96/21/1050659621.db2.gz RJPHHGPJOXCLBU-ROUUACIJSA-N 1 2 355.486 2.617 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(Cc1ccccc1)C(C)C ZINC001340252572 1050659625 /nfs/dbraw/zinc/65/96/25/1050659625.db2.gz RJPHHGPJOXCLBU-ROUUACIJSA-N 1 2 355.486 2.617 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001342100621 1050695067 /nfs/dbraw/zinc/69/50/67/1050695067.db2.gz TVGNXUNHENWFOM-QGZVFWFLSA-N 1 2 357.458 2.621 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H](OCC)C1 ZINC001340491117 1050888254 /nfs/dbraw/zinc/88/82/54/1050888254.db2.gz DBTAVLHQVLKSRB-SFHVURJKSA-N 1 2 372.517 2.562 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 ZINC001340733160 1051091248 /nfs/dbraw/zinc/09/12/48/1051091248.db2.gz OCPWJWTVAZNSJS-HOTGVXAUSA-N 1 2 370.501 2.572 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](CC)CC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001342521782 1051125136 /nfs/dbraw/zinc/12/51/36/1051125136.db2.gz IDYRNUDNIDVADN-ZWOKBUDYSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](CC)CC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001342521782 1051125138 /nfs/dbraw/zinc/12/51/38/1051125138.db2.gz IDYRNUDNIDVADN-ZWOKBUDYSA-N 1 2 361.534 2.782 20 30 FFEDLO Cc1c[nH+]cc(C)c1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC001340810833 1051155162 /nfs/dbraw/zinc/15/51/62/1051155162.db2.gz QWYGFUZRWDFJAR-UHFFFAOYSA-N 1 2 352.413 2.986 20 30 FFEDLO CC(C)Cc1nnc(N(C)C[C@@H](C)C#N)n1CCCNc1cccc[nH+]1 ZINC001302839226 1051209860 /nfs/dbraw/zinc/20/98/60/1051209860.db2.gz CGAYCNOLUMEUJN-INIZCTEOSA-N 1 2 355.490 2.970 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001342671347 1051280259 /nfs/dbraw/zinc/28/02/59/1051280259.db2.gz BKCAFTLERMMGGH-AEFFLSMTSA-N 1 2 369.517 2.738 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001342671347 1051280267 /nfs/dbraw/zinc/28/02/67/1051280267.db2.gz BKCAFTLERMMGGH-AEFFLSMTSA-N 1 2 369.517 2.738 20 30 FFEDLO CCn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001341036054 1051373038 /nfs/dbraw/zinc/37/30/38/1051373038.db2.gz IBBOLKBUGIOZRD-DOTOQJQBSA-N 1 2 370.888 2.901 20 30 FFEDLO CCn1c(CC(C)(C)C#N)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001342955733 1051570352 /nfs/dbraw/zinc/57/03/52/1051570352.db2.gz GCNQCNJVKQRQLQ-UHFFFAOYSA-N 1 2 353.474 2.866 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2CCCC[N@@H+]2C)n1CCCOCC ZINC001343117224 1051736118 /nfs/dbraw/zinc/73/61/18/1051736118.db2.gz ARURVOJCXALROQ-QZTJIDSGSA-N 1 2 359.518 2.854 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2CCCC[N@H+]2C)n1CCCOCC ZINC001343117224 1051736134 /nfs/dbraw/zinc/73/61/34/1051736134.db2.gz ARURVOJCXALROQ-QZTJIDSGSA-N 1 2 359.518 2.854 20 30 FFEDLO CCc1nnc(N(C)C[C@H](C)C#N)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001306071931 1052003471 /nfs/dbraw/zinc/00/34/71/1052003471.db2.gz AWXIHBVOVPGOMT-MRXNPFEDSA-N 1 2 367.501 2.870 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001343299731 1052145913 /nfs/dbraw/zinc/14/59/13/1052145913.db2.gz URIKCBHMYZYKND-GOSISDBHSA-N 1 2 359.518 2.703 20 30 FFEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCO1 ZINC001343340779 1052173330 /nfs/dbraw/zinc/17/33/30/1052173330.db2.gz IUJYXEOBJHNFID-ROUUACIJSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCO1 ZINC001343340779 1052173332 /nfs/dbraw/zinc/17/33/32/1052173332.db2.gz IUJYXEOBJHNFID-ROUUACIJSA-N 1 2 372.517 2.744 20 30 FFEDLO CC(C)[N@H+](CC(=O)NC1(C#N)CCC1)Cc1cnn(Cc2ccccc2)c1 ZINC001307609165 1052327235 /nfs/dbraw/zinc/32/72/35/1052327235.db2.gz UDNMJQOCAZOQPN-UHFFFAOYSA-N 1 2 365.481 2.704 20 30 FFEDLO CC(C)[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1cnn(Cc2ccccc2)c1 ZINC001307609165 1052327237 /nfs/dbraw/zinc/32/72/37/1052327237.db2.gz UDNMJQOCAZOQPN-UHFFFAOYSA-N 1 2 365.481 2.704 20 30 FFEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCN(c4ccc(F)cc4)C3=O)CC2)cc1 ZINC001308012087 1052383078 /nfs/dbraw/zinc/38/30/78/1052383078.db2.gz WAAUMNBLHWEKCR-HXUWFJFHSA-N 1 2 364.424 2.625 20 30 FFEDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001308011972 1052383116 /nfs/dbraw/zinc/38/31/16/1052383116.db2.gz UWPOQPKMWCPUDT-YLJYHZDGSA-N 1 2 354.498 2.717 20 30 FFEDLO N#CC1(CNC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CCOCC1 ZINC001345919266 1052670167 /nfs/dbraw/zinc/67/01/67/1052670167.db2.gz DKRJXNSVMRRRTD-UHFFFAOYSA-N 1 2 373.844 2.645 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2CCCC[N@H+]2C)n1C[C@@H]1CCCCO1 ZINC001344292350 1052689665 /nfs/dbraw/zinc/68/96/65/1052689665.db2.gz DPWGKKHYEZJQCL-QYZOEREBSA-N 1 2 371.529 2.996 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2CCCC[N@@H+]2C)n1C[C@@H]1CCCCO1 ZINC001344292350 1052689667 /nfs/dbraw/zinc/68/96/67/1052689667.db2.gz DPWGKKHYEZJQCL-QYZOEREBSA-N 1 2 371.529 2.996 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCO[C@@](C)(C(F)(F)F)C1 ZINC001345984302 1052695357 /nfs/dbraw/zinc/69/53/57/1052695357.db2.gz SLFBQXZQYJJCIJ-MRXNPFEDSA-N 1 2 373.423 2.608 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001346148246 1052769067 /nfs/dbraw/zinc/76/90/67/1052769067.db2.gz MWQDZORZIHOZDF-BFYDXBDKSA-N 1 2 368.481 2.990 20 30 FFEDLO N#CCC[NH+]1CCC(c2nnc(N3CCC[C@H](CF)C3)n2CC2CC2)CC1 ZINC001346247907 1052803091 /nfs/dbraw/zinc/80/30/91/1052803091.db2.gz RCGHMUPJYJXGDH-QGZVFWFLSA-N 1 2 374.508 2.967 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001344567893 1052838421 /nfs/dbraw/zinc/83/84/21/1052838421.db2.gz XOVCELMTOBSHRZ-RYRKJORJSA-N 1 2 360.502 2.688 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001344567893 1052838425 /nfs/dbraw/zinc/83/84/25/1052838425.db2.gz XOVCELMTOBSHRZ-RYRKJORJSA-N 1 2 360.502 2.688 20 30 FFEDLO C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)CC1 ZINC001334752410 1053059308 /nfs/dbraw/zinc/05/93/08/1053059308.db2.gz ZJAFPCNJVXDYJV-UHFFFAOYSA-N 1 2 361.486 2.711 20 30 FFEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001335439512 1053364831 /nfs/dbraw/zinc/36/48/31/1053364831.db2.gz FVMQQBGFAOXAIG-SFTDATJTSA-N 1 2 360.461 2.947 20 30 FFEDLO N#CCOc1ccc(NCc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001335498121 1053400271 /nfs/dbraw/zinc/40/02/71/1053400271.db2.gz SIDNXNYYPVZYJH-UHFFFAOYSA-N 1 2 367.449 2.912 20 30 FFEDLO C=CCC[C@H]1CCCN1c1nnc(C[NH+]2CCCC2)n1C[C@@H]1CCOC1 ZINC001346917999 1053440607 /nfs/dbraw/zinc/44/06/07/1053440607.db2.gz RHBDLQXMJDMQDM-ROUUACIJSA-N 1 2 359.518 2.845 20 30 FFEDLO C=CCO[C@H]1CCN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC001347192190 1053707807 /nfs/dbraw/zinc/70/78/07/1053707807.db2.gz QBROFRZWSWKHDC-ROUUACIJSA-N 1 2 354.454 2.690 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@H](c2nnc(N3CCC[C@H](CC#N)C3)n2CC2CC2)C1 ZINC001348095201 1054644569 /nfs/dbraw/zinc/64/45/69/1054644569.db2.gz QGDWXJDIXWYROO-AEFFLSMTSA-N 1 2 372.517 2.600 20 30 FFEDLO CC(C)[N@H+]1CCO[C@H](c2nnc(N3CCC[C@H](CC#N)C3)n2CC2CC2)C1 ZINC001348095201 1054644574 /nfs/dbraw/zinc/64/45/74/1054644574.db2.gz QGDWXJDIXWYROO-AEFFLSMTSA-N 1 2 372.517 2.600 20 30 FFEDLO COc1cccc([C@@H]2CN(C(=O)[C@@]3(C#N)CC4CCC3CC4)CC[NH2+]2)c1 ZINC001337376270 1054702633 /nfs/dbraw/zinc/70/26/33/1054702633.db2.gz FIZHXNUGPDCRFC-KZEUKAMHSA-N 1 2 353.466 2.888 20 30 FFEDLO C=CCCn1cc(C(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)nn1 ZINC001337683620 1054942316 /nfs/dbraw/zinc/94/23/16/1054942316.db2.gz FFYFFDHMCOAMPZ-HNNXBMFYSA-N 1 2 356.474 2.826 20 30 FFEDLO C#C[C@H]1CCCN(c2nnc([C@H]3CCCC[N@H+]3C)n2Cc2cc(C)on2)C1 ZINC001352105253 1055194962 /nfs/dbraw/zinc/19/49/62/1055194962.db2.gz SQBYDFLUXRTFMJ-FUHWJXTLSA-N 1 2 368.485 2.629 20 30 FFEDLO C#C[C@H]1CCCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2Cc2cc(C)on2)C1 ZINC001352105253 1055194967 /nfs/dbraw/zinc/19/49/67/1055194967.db2.gz SQBYDFLUXRTFMJ-FUHWJXTLSA-N 1 2 368.485 2.629 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC(F)(F)CC[C@H]1C ZINC001338692501 1055736345 /nfs/dbraw/zinc/73/63/45/1055736345.db2.gz BUJDSIHSTUAOAG-HUUCEWRRSA-N 1 2 369.460 2.870 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC(F)(F)CC[C@H]1C ZINC001338692501 1055736356 /nfs/dbraw/zinc/73/63/56/1055736356.db2.gz BUJDSIHSTUAOAG-HUUCEWRRSA-N 1 2 369.460 2.870 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC(F)(F)CC[C@@H]1C ZINC001338692502 1055736380 /nfs/dbraw/zinc/73/63/80/1055736380.db2.gz BUJDSIHSTUAOAG-LSDHHAIUSA-N 1 2 369.460 2.870 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC(F)(F)CC[C@@H]1C ZINC001338692502 1055736389 /nfs/dbraw/zinc/73/63/89/1055736389.db2.gz BUJDSIHSTUAOAG-LSDHHAIUSA-N 1 2 369.460 2.870 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCCC2(CCCCC2)C1 ZINC001338776080 1055803956 /nfs/dbraw/zinc/80/39/56/1055803956.db2.gz VPWKNVLTRJNIDU-IAGOWNOFSA-N 1 2 359.518 2.752 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCCC2(CCCCC2)C1 ZINC001338776080 1055803966 /nfs/dbraw/zinc/80/39/66/1055803966.db2.gz VPWKNVLTRJNIDU-IAGOWNOFSA-N 1 2 359.518 2.752 20 30 FFEDLO CCOCCCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC(C)(C#N)CC1 ZINC001357454284 1055909413 /nfs/dbraw/zinc/90/94/13/1055909413.db2.gz QHJGJNQAOREBOH-INIZCTEOSA-N 1 2 360.506 2.601 20 30 FFEDLO CCOCCCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC(C)(C#N)CC1 ZINC001357454284 1055909419 /nfs/dbraw/zinc/90/94/19/1055909419.db2.gz QHJGJNQAOREBOH-INIZCTEOSA-N 1 2 360.506 2.601 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC(C#N)CC1 ZINC001357817894 1056024262 /nfs/dbraw/zinc/02/42/62/1056024262.db2.gz BPLKKBYNSFAYEL-ROUUACIJSA-N 1 2 372.517 2.600 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC(C#N)CC1 ZINC001357817894 1056024273 /nfs/dbraw/zinc/02/42/73/1056024273.db2.gz BPLKKBYNSFAYEL-ROUUACIJSA-N 1 2 372.517 2.600 20 30 FFEDLO C=CCn1c([C@@H](C)SC)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001339040894 1056038902 /nfs/dbraw/zinc/03/89/02/1056038902.db2.gz TYSBKWDDNQWLQO-OAHLLOKOSA-N 1 2 358.515 2.605 20 30 FFEDLO C#CCCCn1c(CC(C)C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001358930971 1056607740 /nfs/dbraw/zinc/60/77/40/1056607740.db2.gz KQCZRGWXTVKESU-UHFFFAOYSA-N 1 2 352.486 2.612 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2C[C@H](C)c2ncc(C)s2)CC1 ZINC001359029254 1056665155 /nfs/dbraw/zinc/66/51/55/1056665155.db2.gz SCIWGRYSQFALKV-HNNXBMFYSA-N 1 2 372.542 2.725 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2C[C@H](C)c2cccc(C)c2)CC1 ZINC001359036438 1056668843 /nfs/dbraw/zinc/66/88/43/1056668843.db2.gz WPIAJUVJENKEKR-SFHVURJKSA-N 1 2 351.498 2.708 20 30 FFEDLO C=CCCCC(=O)N1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001500009907 1058425717 /nfs/dbraw/zinc/42/57/17/1058425717.db2.gz ZWSNWRYCSRJPKX-IAGOWNOFSA-N 1 2 370.497 2.711 20 30 FFEDLO C=CCCCC(=O)N1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001500009907 1058425729 /nfs/dbraw/zinc/42/57/29/1058425729.db2.gz ZWSNWRYCSRJPKX-IAGOWNOFSA-N 1 2 370.497 2.711 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001500281992 1058460849 /nfs/dbraw/zinc/46/08/49/1058460849.db2.gz IQIWNIATSVZOGI-ARFHVFGLSA-N 1 2 358.486 2.518 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001500281992 1058460854 /nfs/dbraw/zinc/46/08/54/1058460854.db2.gz IQIWNIATSVZOGI-ARFHVFGLSA-N 1 2 358.486 2.518 20 30 FFEDLO CCc1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001513836411 1058604907 /nfs/dbraw/zinc/60/49/07/1058604907.db2.gz VPDDMGIHWOAIHR-INIZCTEOSA-N 1 2 353.474 2.663 20 30 FFEDLO C=CC1(CC(=O)NC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001502405792 1058857477 /nfs/dbraw/zinc/85/74/77/1058857477.db2.gz ZCUOISGBXFRTSW-BZUAXINKSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CC1(CC(=O)NC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001502405792 1058857503 /nfs/dbraw/zinc/85/75/03/1058857503.db2.gz ZCUOISGBXFRTSW-BZUAXINKSA-N 1 2 358.486 2.661 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CCc2ccccc2C)CC1 ZINC001300682612 1059316099 /nfs/dbraw/zinc/31/60/99/1059316099.db2.gz PJTOTNPNLFLCLE-UHFFFAOYSA-N 1 2 365.525 2.882 20 30 FFEDLO C#CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNc1cccc[nH+]1 ZINC001507607151 1059652072 /nfs/dbraw/zinc/65/20/72/1059652072.db2.gz KAXWTEJXBSHMGQ-UHFFFAOYSA-N 1 2 371.448 2.783 20 30 FFEDLO C#CCN(CC#C)c1nnc(CC(C)C)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001507652393 1059672496 /nfs/dbraw/zinc/67/24/96/1059672496.db2.gz IDQXGLADMYZKIE-SFHVURJKSA-N 1 2 364.497 2.632 20 30 FFEDLO CC[C@@H]1C[C@H]1C(=O)NCC[N@@H+](CC#Cc1ccccc1Cl)CCOC ZINC001508053688 1059801708 /nfs/dbraw/zinc/80/17/08/1059801708.db2.gz XBRQGQZLCNUICS-SJLPKXTDSA-N 1 2 362.901 2.802 20 30 FFEDLO CC[C@@H]1C[C@H]1C(=O)NCC[N@H+](CC#Cc1ccccc1Cl)CCOC ZINC001508053688 1059801734 /nfs/dbraw/zinc/80/17/34/1059801734.db2.gz XBRQGQZLCNUICS-SJLPKXTDSA-N 1 2 362.901 2.802 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCc2c(F)ccc(F)c2C1 ZINC001520596111 1059851947 /nfs/dbraw/zinc/85/19/47/1059851947.db2.gz JZGCBTSOYUKJSO-UHFFFAOYSA-N 1 2 370.407 2.629 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(F)CC1 ZINC001516047925 1059940834 /nfs/dbraw/zinc/94/08/34/1059940834.db2.gz VLJDWGXDWDBLSI-INIZCTEOSA-N 1 2 351.470 2.574 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(F)CC1 ZINC001516047925 1059940856 /nfs/dbraw/zinc/94/08/56/1059940856.db2.gz VLJDWGXDWDBLSI-INIZCTEOSA-N 1 2 351.470 2.574 20 30 FFEDLO C[NH+]1CCN(c2ccc(C=[NH+]Nc3ccc(CC(=O)[O-])cc3)cc2)CC1 ZINC000848414320 1059968227 /nfs/dbraw/zinc/96/82/27/1059968227.db2.gz LLAOLDFXLNXLGS-UHFFFAOYSA-N 1 2 352.438 2.512 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc(C[N@@H+]2CCC[C@H](O)C2)n1CC ZINC001521000059 1060290474 /nfs/dbraw/zinc/29/04/74/1060290474.db2.gz KMQGNAPTFOVMJI-KRWDZBQOSA-N 1 2 373.476 2.586 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc(C[N@H+]2CCC[C@H](O)C2)n1CC ZINC001521000059 1060290492 /nfs/dbraw/zinc/29/04/92/1060290492.db2.gz KMQGNAPTFOVMJI-KRWDZBQOSA-N 1 2 373.476 2.586 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)Cc1ccc(C(C)C)cc1 ZINC001355920898 1060729532 /nfs/dbraw/zinc/72/95/32/1060729532.db2.gz YFNRSRUIVTWXTM-MOPGFXCFSA-N 1 2 369.513 2.961 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)Cc1ccc(C(C)C)cc1 ZINC001355920898 1060729544 /nfs/dbraw/zinc/72/95/44/1060729544.db2.gz YFNRSRUIVTWXTM-MOPGFXCFSA-N 1 2 369.513 2.961 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N(C3CC3)C3CCCC3)CC2)cc1 ZINC001460639633 1061044027 /nfs/dbraw/zinc/04/40/27/1061044027.db2.gz RPJJWQGSXCZODQ-UHFFFAOYSA-N 1 2 352.482 2.614 20 30 FFEDLO CC(C)N(C(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1)C1CCCC1 ZINC001460639662 1061044387 /nfs/dbraw/zinc/04/43/87/1061044387.db2.gz RUSMZKJKRJALKI-UHFFFAOYSA-N 1 2 354.498 2.860 20 30 FFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000543886612 1061084881 /nfs/dbraw/zinc/08/48/81/1061084881.db2.gz NDQFJFGPYVSLEW-GFCCVEGCSA-N 1 2 369.816 2.804 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001460781733 1061101214 /nfs/dbraw/zinc/10/12/14/1061101214.db2.gz YPBZNLLFWHTUSH-NEPJUHHUSA-N 1 2 357.845 2.956 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001460781733 1061101220 /nfs/dbraw/zinc/10/12/20/1061101220.db2.gz YPBZNLLFWHTUSH-NEPJUHHUSA-N 1 2 357.845 2.956 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2CC2CC2)C1 ZINC001527093737 1061385938 /nfs/dbraw/zinc/38/59/38/1061385938.db2.gz LMNKINXRFWRVRY-SFHVURJKSA-N 1 2 372.517 2.600 20 30 FFEDLO CC(C)[N@H+]1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2CC2CC2)C1 ZINC001527093737 1061385957 /nfs/dbraw/zinc/38/59/57/1061385957.db2.gz LMNKINXRFWRVRY-SFHVURJKSA-N 1 2 372.517 2.600 20 30 FFEDLO Cc1cc(C)n2c(C[NH+]3CCN(c4ccc(F)cc4C#N)CC3)cnc2n1 ZINC001462516862 1061655993 /nfs/dbraw/zinc/65/59/93/1061655993.db2.gz OUFWYJPPHBQUOU-UHFFFAOYSA-N 1 2 364.428 2.679 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc([C@@]3(C)C[C@H](O)C[N@H+]3C)n2CC(=C)C)C1 ZINC001523777131 1062617922 /nfs/dbraw/zinc/61/79/22/1062617922.db2.gz IIFJRWJJLKHMMR-FUHIMQAGSA-N 1 2 359.518 2.558 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc([C@@]3(C)C[C@H](O)C[N@@H+]3C)n2CC(=C)C)C1 ZINC001523777131 1062617928 /nfs/dbraw/zinc/61/79/28/1062617928.db2.gz IIFJRWJJLKHMMR-FUHIMQAGSA-N 1 2 359.518 2.558 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C#N)CC[N@@H+]1CC(=O)Nc1c(C)cc(C)cc1C ZINC001479632617 1062661011 /nfs/dbraw/zinc/66/10/11/1062661011.db2.gz FUDXNQFCHASRSM-OKZBNKHCSA-N 1 2 370.497 2.679 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C#N)CC[N@H+]1CC(=O)Nc1c(C)cc(C)cc1C ZINC001479632617 1062661014 /nfs/dbraw/zinc/66/10/14/1062661014.db2.gz FUDXNQFCHASRSM-OKZBNKHCSA-N 1 2 370.497 2.679 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C(C)(C)C)CC[C@@H]2C1 ZINC001479670394 1062778759 /nfs/dbraw/zinc/77/87/59/1062778759.db2.gz VULVWPINZDMESP-SJORKVTESA-N 1 2 359.518 2.670 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C(C)(C)C)CC[C@@H]2C1 ZINC001479670394 1062778783 /nfs/dbraw/zinc/77/87/83/1062778783.db2.gz VULVWPINZDMESP-SJORKVTESA-N 1 2 359.518 2.670 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001479701033 1062830086 /nfs/dbraw/zinc/83/00/86/1062830086.db2.gz RLTMUMMABFAYIQ-VCBZYWHSSA-N 1 2 359.445 2.758 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001479701033 1062830117 /nfs/dbraw/zinc/83/01/17/1062830117.db2.gz RLTMUMMABFAYIQ-VCBZYWHSSA-N 1 2 359.445 2.758 20 30 FFEDLO C=CCCC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(F)c(Cl)c2)[C@@H]1C ZINC001479700975 1062831044 /nfs/dbraw/zinc/83/10/44/1062831044.db2.gz PSWKMWSOIPDIRK-WBMJQRKESA-N 1 2 367.852 2.963 20 30 FFEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(F)c(Cl)c2)[C@@H]1C ZINC001479700975 1062831064 /nfs/dbraw/zinc/83/10/64/1062831064.db2.gz PSWKMWSOIPDIRK-WBMJQRKESA-N 1 2 367.852 2.963 20 30 FFEDLO C=CC1(CC(=O)N[C@H]2CC[N@@H+](Cc3cnnn3CC)[C@@H]2C)CCCCC1 ZINC001479720313 1062916572 /nfs/dbraw/zinc/91/65/72/1062916572.db2.gz RKGBQAVGVDWWGO-AEFFLSMTSA-N 1 2 359.518 2.904 20 30 FFEDLO C=CC1(CC(=O)N[C@H]2CC[N@H+](Cc3cnnn3CC)[C@@H]2C)CCCCC1 ZINC001479720313 1062916591 /nfs/dbraw/zinc/91/65/91/1062916591.db2.gz RKGBQAVGVDWWGO-AEFFLSMTSA-N 1 2 359.518 2.904 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3scnc3C3CC3)n2CC(C)C)CC1 ZINC001524832438 1063011902 /nfs/dbraw/zinc/01/19/02/1063011902.db2.gz XOVZSGLBFNBWQZ-UHFFFAOYSA-N 1 2 370.526 2.690 20 30 FFEDLO C=C(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001525204110 1063197844 /nfs/dbraw/zinc/19/78/44/1063197844.db2.gz BZGIQWNAFJJIEU-SLUKUZTOSA-N 1 2 356.470 2.508 20 30 FFEDLO C=C(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001525204110 1063197850 /nfs/dbraw/zinc/19/78/50/1063197850.db2.gz BZGIQWNAFJJIEU-SLUKUZTOSA-N 1 2 356.470 2.508 20 30 FFEDLO CC[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001495421886 1063494198 /nfs/dbraw/zinc/49/41/98/1063494198.db2.gz RIHCHVCFHNDACC-DLBZAZTESA-N 1 2 374.533 2.642 20 30 FFEDLO C[N@@H+]1CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)[C@H](Cc2ccccc2)C1 ZINC001469806184 1064214414 /nfs/dbraw/zinc/21/44/14/1064214414.db2.gz WHSZDHDAHAWVSA-FNUUXAGOSA-N 1 2 366.436 2.793 20 30 FFEDLO C[N@H+]1CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)[C@H](Cc2ccccc2)C1 ZINC001469806184 1064214420 /nfs/dbraw/zinc/21/44/20/1064214420.db2.gz WHSZDHDAHAWVSA-FNUUXAGOSA-N 1 2 366.436 2.793 20 30 FFEDLO C#CC[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)CCCCCC(C)C)CC1 ZINC001574985356 1078097892 /nfs/dbraw/zinc/09/78/92/1078097892.db2.gz BKNGSZBBVYBCDX-UHFFFAOYSA-N 1 2 359.518 2.837 20 30 FFEDLO C=C(C)CC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)/C=C(/C)C2CC2)CC1 ZINC001575050084 1078101279 /nfs/dbraw/zinc/10/12/79/1078101279.db2.gz WJAIFAKZRSAGGM-VBKFSLOCSA-N 1 2 357.502 2.920 20 30 FFEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCCN(C)c1cccc[nH+]1 ZINC001471491326 1064693694 /nfs/dbraw/zinc/69/36/94/1064693694.db2.gz UGTCKHMVQPJVSQ-HXUWFJFHSA-N 1 2 366.465 2.999 20 30 FFEDLO CN(CCCNC(=O)c1cc(-c2cccc(C#N)c2)no1)c1cccc[nH+]1 ZINC001471494539 1064695276 /nfs/dbraw/zinc/69/52/76/1064695276.db2.gz LMJLEJFQWCRUIU-UHFFFAOYSA-N 1 2 361.405 2.865 20 30 FFEDLO C[C@H]1CN(Cc2ccccc2)C[C@]2(CC[N@H+](Cc3cc(C#N)ccn3)C2)O1 ZINC001473748618 1065344831 /nfs/dbraw/zinc/34/48/31/1065344831.db2.gz XTIPYBITBUTOIK-PGRDOPGGSA-N 1 2 362.477 2.819 20 30 FFEDLO C[C@H]1CN(Cc2ccccc2)C[C@]2(CC[N@@H+](Cc3cc(C#N)ccn3)C2)O1 ZINC001473748618 1065344842 /nfs/dbraw/zinc/34/48/42/1065344842.db2.gz XTIPYBITBUTOIK-PGRDOPGGSA-N 1 2 362.477 2.819 20 30 FFEDLO N#Cc1cccc(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)n1 ZINC001583945905 1079286390 /nfs/dbraw/zinc/28/63/90/1079286390.db2.gz DKMHNNBTLFEVGU-UHFFFAOYSA-N 1 2 357.417 2.785 20 30 FFEDLO CCOC(=O)c1c(NC(=O)c2ccn3c(C)c[nH+]c3c2)c(C#N)cn1CC ZINC001585298219 1079450140 /nfs/dbraw/zinc/45/01/40/1079450140.db2.gz OYHHWRXJSVFIGJ-UHFFFAOYSA-N 1 2 365.393 2.765 20 30 FFEDLO N#Cc1cccc(OCc2ccoc2C(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)c1 ZINC001556726604 1075768486 /nfs/dbraw/zinc/76/84/86/1075768486.db2.gz GDSPJNFZMYEFCZ-IRXDYDNUSA-N 1 2 369.396 2.598 20 30 FFEDLO N#Cc1cccc(OCc2ccoc2C(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)c1 ZINC001556726604 1075768489 /nfs/dbraw/zinc/76/84/89/1075768489.db2.gz GDSPJNFZMYEFCZ-IRXDYDNUSA-N 1 2 369.396 2.598 20 30 FFEDLO C#C[C@@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1)c1ccc(F)cc1 ZINC001556730249 1075769459 /nfs/dbraw/zinc/76/94/59/1075769459.db2.gz JKVYGUZZGZITOD-WOJBJXKFSA-N 1 2 352.409 2.899 20 30 FFEDLO C#C[C@@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1)c1ccc(F)cc1 ZINC001556730249 1075769464 /nfs/dbraw/zinc/76/94/64/1075769464.db2.gz JKVYGUZZGZITOD-WOJBJXKFSA-N 1 2 352.409 2.899 20 30 FFEDLO C=CC1(CC(=O)NCc2c[nH]c(C(C)C)[nH+]2)CN(C(=O)OC(C)(C)C)C1 ZINC001558560106 1076032349 /nfs/dbraw/zinc/03/23/49/1076032349.db2.gz HCWQOXNSFNWOKU-UHFFFAOYSA-N 1 2 362.474 2.963 20 30 FFEDLO C=CC1(CC(=O)NCc2c[nH+]c(C(C)C)[nH]2)CN(C(=O)OC(C)(C)C)C1 ZINC001558560106 1076032354 /nfs/dbraw/zinc/03/23/54/1076032354.db2.gz HCWQOXNSFNWOKU-UHFFFAOYSA-N 1 2 362.474 2.963 20 30 FFEDLO C[C@@H]1CN(c2c(Br)cccc2C#N)CC[N@@H+]1CC(C)(C)O ZINC001559167361 1076131569 /nfs/dbraw/zinc/13/15/69/1076131569.db2.gz XGRSTESMFXOJRL-GFCCVEGCSA-N 1 2 352.276 2.602 20 30 FFEDLO C[C@@H]1CN(c2c(Br)cccc2C#N)CC[N@H+]1CC(C)(C)O ZINC001559167361 1076131570 /nfs/dbraw/zinc/13/15/70/1076131570.db2.gz XGRSTESMFXOJRL-GFCCVEGCSA-N 1 2 352.276 2.602 20 30 FFEDLO COC(=O)c1sccc1C[N@@H+]1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC001561016577 1076320216 /nfs/dbraw/zinc/32/02/16/1076320216.db2.gz BXMCNXMBSPUUQW-OAHLLOKOSA-N 1 2 356.451 2.878 20 30 FFEDLO COC(=O)c1sccc1C[N@H+]1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC001561016577 1076320218 /nfs/dbraw/zinc/32/02/18/1076320218.db2.gz BXMCNXMBSPUUQW-OAHLLOKOSA-N 1 2 356.451 2.878 20 30 FFEDLO N#Cc1cccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1Br ZINC001565594845 1076743095 /nfs/dbraw/zinc/74/30/95/1076743095.db2.gz QFGMZXSCMZPMEM-CYBMUJFWSA-N 1 2 359.227 2.995 20 30 FFEDLO C=CCCC(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(-c4ccccc4)n3)CC[C@@H]2C1 ZINC001566040723 1076869983 /nfs/dbraw/zinc/86/99/83/1076869983.db2.gz OKGSZEQRWNUVCU-MSOLQXFVSA-N 1 2 365.481 2.514 20 30 FFEDLO C=CCCC(=O)N1C[C@@H]2C[N@H+](Cc3cnn(-c4ccccc4)n3)CC[C@@H]2C1 ZINC001566040723 1076869987 /nfs/dbraw/zinc/86/99/87/1076869987.db2.gz OKGSZEQRWNUVCU-MSOLQXFVSA-N 1 2 365.481 2.514 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@@H](CCCC)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001571916135 1077289119 /nfs/dbraw/zinc/28/91/19/1077289119.db2.gz WXPQIYOWUZOBFU-BZUAXINKSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@@H](CCCC)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001571916135 1077289126 /nfs/dbraw/zinc/28/91/26/1077289126.db2.gz WXPQIYOWUZOBFU-BZUAXINKSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)CCCC1 ZINC001572781511 1077368242 /nfs/dbraw/zinc/36/82/42/1077368242.db2.gz AEUYZQVEXNXPCA-FUHWJXTLSA-N 1 2 370.497 2.538 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)CCCC1 ZINC001572781511 1077368246 /nfs/dbraw/zinc/36/82/46/1077368246.db2.gz AEUYZQVEXNXPCA-FUHWJXTLSA-N 1 2 370.497 2.538 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001573182202 1077568139 /nfs/dbraw/zinc/56/81/39/1077568139.db2.gz CVUUXHWHSWBICO-DLBZAZTESA-N 1 2 360.502 2.667 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC001573236093 1077620364 /nfs/dbraw/zinc/62/03/64/1077620364.db2.gz OABURTPVJWEICK-SJORKVTESA-N 1 2 360.502 2.619 20 30 FFEDLO C=CCC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001574282796 1077947701 /nfs/dbraw/zinc/94/77/01/1077947701.db2.gz HMOBQCDUEBCFHU-IKGGRYGDSA-N 1 2 372.513 2.777 20 30 FFEDLO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001586126265 1079554332 /nfs/dbraw/zinc/55/43/32/1079554332.db2.gz VZYJCMXQSGSUIR-KRWDZBQOSA-N 1 2 368.820 2.593 20 30 FFEDLO CCCCCCCC[C@H](C)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001586248391 1079584250 /nfs/dbraw/zinc/58/42/50/1079584250.db2.gz LQLUHTBHUYQOMB-OALUTQOASA-N 1 2 354.535 2.933 20 30 FFEDLO C#CC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC001588350695 1079992346 /nfs/dbraw/zinc/99/23/46/1079992346.db2.gz LSYMFWZGPOSULO-SFHVURJKSA-N 1 2 374.404 2.898 20 30 FFEDLO C#CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC001588350695 1079992350 /nfs/dbraw/zinc/99/23/50/1079992350.db2.gz LSYMFWZGPOSULO-SFHVURJKSA-N 1 2 374.404 2.898 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2CCOC(C)(C)C)CC1 ZINC001588791448 1080197591 /nfs/dbraw/zinc/19/75/91/1080197591.db2.gz VIFZBZYXLLAPEB-UHFFFAOYSA-N 1 2 367.497 2.515 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2Cc2c(C)coc2C)CC1 ZINC001588806474 1080203898 /nfs/dbraw/zinc/20/38/98/1080203898.db2.gz RVBDSBNFMPYYDZ-UHFFFAOYSA-N 1 2 353.470 2.559 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CC(C)(C)C2)CC1 ZINC001588813299 1080205359 /nfs/dbraw/zinc/20/53/59/1080205359.db2.gz WUQWBGQSTGZEOX-SFHVURJKSA-N 1 2 371.529 2.711 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2[C@H]2C[C@H]2C)CC1 ZINC001588836384 1080212525 /nfs/dbraw/zinc/21/25/25/1080212525.db2.gz IMZPCXCBQLBVPI-QAPCUYQASA-N 1 2 369.900 2.858 20 30 FFEDLO CCOC(=O)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000109391506 209305087 /nfs/dbraw/zinc/30/50/87/209305087.db2.gz CMTVVCWBPHZPOI-UHFFFAOYSA-N 1 2 363.483 2.712 20 30 FFEDLO CCOC(=O)C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000109391506 209305090 /nfs/dbraw/zinc/30/50/90/209305090.db2.gz CMTVVCWBPHZPOI-UHFFFAOYSA-N 1 2 363.483 2.712 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000052452842 206677006 /nfs/dbraw/zinc/67/70/06/206677006.db2.gz MGDLHTOTBKDFAJ-AWEZNQCLSA-N 1 2 366.259 2.598 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000052452842 206677010 /nfs/dbraw/zinc/67/70/10/206677010.db2.gz MGDLHTOTBKDFAJ-AWEZNQCLSA-N 1 2 366.259 2.598 20 30 FFEDLO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000118419653 250384580 /nfs/dbraw/zinc/38/45/80/250384580.db2.gz KAXZKHDUSLCGQG-KGLIPLIRSA-N 1 2 355.467 2.508 20 30 FFEDLO C[C@@H]1[C@H](C)SCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000118419653 250384584 /nfs/dbraw/zinc/38/45/84/250384584.db2.gz KAXZKHDUSLCGQG-KGLIPLIRSA-N 1 2 355.467 2.508 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2CO)c(C#N)c1C ZINC000130921893 250947449 /nfs/dbraw/zinc/94/74/49/250947449.db2.gz YJZWZBRGYRHGCH-KRWDZBQOSA-N 1 2 355.463 2.767 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2CO)c(C#N)c1C ZINC000130921893 250947451 /nfs/dbraw/zinc/94/74/51/250947451.db2.gz YJZWZBRGYRHGCH-KRWDZBQOSA-N 1 2 355.463 2.767 20 30 FFEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000153020309 251092863 /nfs/dbraw/zinc/09/28/63/251092863.db2.gz MXSCTJNXZKNFSS-FXAWDEMLSA-N 1 2 364.449 2.752 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(N3CCCCC3=O)CC2)c(C#N)c1C ZINC000153075557 251100165 /nfs/dbraw/zinc/10/01/65/251100165.db2.gz DYEUNHMIPZVQFN-AWEZNQCLSA-N 1 2 372.469 2.572 20 30 FFEDLO Cc1noc(C2CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)n1 ZINC000173563070 251207633 /nfs/dbraw/zinc/20/76/33/251207633.db2.gz BSVZAECLDLTOEI-UHFFFAOYSA-N 1 2 350.382 2.679 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)c(Br)c1 ZINC000181151963 251248328 /nfs/dbraw/zinc/24/83/28/251248328.db2.gz SRWZUBBFPLUFCK-UHFFFAOYSA-N 1 2 351.244 2.702 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCOC3(CCOCC3)C2)c(Br)c1 ZINC000181151963 251248331 /nfs/dbraw/zinc/24/83/31/251248331.db2.gz SRWZUBBFPLUFCK-UHFFFAOYSA-N 1 2 351.244 2.702 20 30 FFEDLO CCC[C@@H]1C[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000272647080 252089935 /nfs/dbraw/zinc/08/99/35/252089935.db2.gz ZYQYGMWJLNZGHL-WOJBJXKFSA-N 1 2 355.482 2.798 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278957769 256366167 /nfs/dbraw/zinc/36/61/67/256366167.db2.gz ZQSYKKGPKZTAEI-GOEBONIOSA-N 1 2 368.412 2.963 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278957769 256366169 /nfs/dbraw/zinc/36/61/69/256366169.db2.gz ZQSYKKGPKZTAEI-GOEBONIOSA-N 1 2 368.412 2.963 20 30 FFEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3nc(C)cc(C#N)n3)CC2)cs1 ZINC000287791627 257113149 /nfs/dbraw/zinc/11/31/49/257113149.db2.gz JFGGHVVBMTXPTD-AWEZNQCLSA-N 1 2 372.498 2.533 20 30 FFEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3nc(C)cc(C#N)n3)CC2)cs1 ZINC000287791627 257113151 /nfs/dbraw/zinc/11/31/51/257113151.db2.gz JFGGHVVBMTXPTD-AWEZNQCLSA-N 1 2 372.498 2.533 20 30 FFEDLO COc1cc[nH+]cc1COC(=O)CCCOc1ccc(C#N)cc1OC ZINC000288857560 257232901 /nfs/dbraw/zinc/23/29/01/257232901.db2.gz XFRWEOPQVAYTJZ-UHFFFAOYSA-N 1 2 356.378 2.873 20 30 FFEDLO CN(C)C(=O)c1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)[nH]1 ZINC000289716125 257295260 /nfs/dbraw/zinc/29/52/60/257295260.db2.gz PDNHZVJSRPHMSJ-UHFFFAOYSA-N 1 2 370.428 2.771 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000301373485 258045558 /nfs/dbraw/zinc/04/55/58/258045558.db2.gz QJFBOBXFXHZKPV-AWEZNQCLSA-N 1 2 370.403 2.986 20 30 FFEDLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2nccnc2C#N)CC1 ZINC000301419061 258048295 /nfs/dbraw/zinc/04/82/95/258048295.db2.gz BNKVREYJHNQSCT-CYBMUJFWSA-N 1 2 372.270 2.994 20 30 FFEDLO Cn1c2c([nH+]c1[C@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1)CCCC2 ZINC000328957766 258125525 /nfs/dbraw/zinc/12/55/25/258125525.db2.gz PKKSONVKNCATBH-LJQANCHMSA-N 1 2 363.465 2.946 20 30 FFEDLO CC(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000332212491 258219245 /nfs/dbraw/zinc/21/92/45/258219245.db2.gz HCPYMBVUOCLDRR-UHFFFAOYSA-N 1 2 351.397 2.850 20 30 FFEDLO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000332212491 258219246 /nfs/dbraw/zinc/21/92/46/258219246.db2.gz HCPYMBVUOCLDRR-UHFFFAOYSA-N 1 2 351.397 2.850 20 30 FFEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000332539040 258234569 /nfs/dbraw/zinc/23/45/69/258234569.db2.gz VVBPOHMJDFFXQL-INIZCTEOSA-N 1 2 374.916 2.730 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)CCC2 ZINC000331738683 258199027 /nfs/dbraw/zinc/19/90/27/258199027.db2.gz WIYIATJPOBNHSP-LBPRGKRZSA-N 1 2 364.858 2.573 20 30 FFEDLO COc1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc2c1OCO2 ZINC000377247447 512184482 /nfs/dbraw/zinc/18/44/82/512184482.db2.gz ASHUJNDLGVZVQA-LJQANCHMSA-N 1 2 352.390 2.869 20 30 FFEDLO COc1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc2c1OCO2 ZINC000377247447 512184487 /nfs/dbraw/zinc/18/44/87/512184487.db2.gz ASHUJNDLGVZVQA-LJQANCHMSA-N 1 2 352.390 2.869 20 30 FFEDLO COC(=O)[C@@H](c1ccsc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000410314806 512237915 /nfs/dbraw/zinc/23/79/15/512237915.db2.gz DQEZHLLJUTYRPP-GOSISDBHSA-N 1 2 355.463 2.652 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)C[C@H](C)C#N ZINC000066425035 506513256 /nfs/dbraw/zinc/51/32/56/506513256.db2.gz SNXGSDKPRSWYOV-CRAIPNDOSA-N 1 2 359.470 2.849 20 30 FFEDLO CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)C[C@H](C)C#N ZINC000066425035 506513264 /nfs/dbraw/zinc/51/32/64/506513264.db2.gz SNXGSDKPRSWYOV-CRAIPNDOSA-N 1 2 359.470 2.849 20 30 FFEDLO CC[N@@H+](CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)C[C@@H](C)C#N ZINC000066425037 506513308 /nfs/dbraw/zinc/51/33/08/506513308.db2.gz RHZFBQSIFKXFJH-HNNXBMFYSA-N 1 2 353.470 2.587 20 30 FFEDLO CC[N@H+](CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)C[C@@H](C)C#N ZINC000066425037 506513315 /nfs/dbraw/zinc/51/33/15/506513315.db2.gz RHZFBQSIFKXFJH-HNNXBMFYSA-N 1 2 353.470 2.587 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000066606907 506573777 /nfs/dbraw/zinc/57/37/77/506573777.db2.gz GXPSWXHXOVCXEI-DYESRHJHSA-N 1 2 374.504 2.776 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000066606907 506573782 /nfs/dbraw/zinc/57/37/82/506573782.db2.gz GXPSWXHXOVCXEI-DYESRHJHSA-N 1 2 374.504 2.776 20 30 FFEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)c(OC)c1 ZINC000007739984 506586218 /nfs/dbraw/zinc/58/62/18/506586218.db2.gz FDCJSIVQTAJILE-YLJYHZDGSA-N 1 2 359.470 2.895 20 30 FFEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)c(OC)c1 ZINC000007739984 506586224 /nfs/dbraw/zinc/58/62/24/506586224.db2.gz FDCJSIVQTAJILE-YLJYHZDGSA-N 1 2 359.470 2.895 20 30 FFEDLO CCCc1nc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)no1 ZINC000067099139 506757299 /nfs/dbraw/zinc/75/72/99/506757299.db2.gz SCISUJLNJFXTRS-UHFFFAOYSA-N 1 2 367.409 2.833 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000067577868 506936573 /nfs/dbraw/zinc/93/65/73/506936573.db2.gz RJUHUMCTSWVMPV-HNNXBMFYSA-N 1 2 362.499 2.734 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000014788007 506999062 /nfs/dbraw/zinc/99/90/62/506999062.db2.gz KWSOLWOXZNCEBH-SFHVURJKSA-N 1 2 363.465 2.539 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CCC(C#N)CC2)c(OC)c1 ZINC000057873802 507346301 /nfs/dbraw/zinc/34/63/01/507346301.db2.gz XUMNAEKEIVMROC-SFHVURJKSA-N 1 2 357.454 2.603 20 30 FFEDLO N#Cc1ccc(CCC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000023436708 507353889 /nfs/dbraw/zinc/35/38/89/507353889.db2.gz JFNDZLKEEBKTEO-SFHVURJKSA-N 1 2 369.490 2.742 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000069036912 507386011 /nfs/dbraw/zinc/38/60/11/507386011.db2.gz ZJQFARFMLQLQQN-KXBFYZLASA-N 1 2 362.905 2.905 20 30 FFEDLO CN(C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1)C1CCCCC1 ZINC000048041550 507438995 /nfs/dbraw/zinc/43/89/95/507438995.db2.gz ACOZIOPUTYJTPW-UHFFFAOYSA-N 1 2 358.461 2.610 20 30 FFEDLO Cc1ccc(-c2nnc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)o2)cc1 ZINC000025941281 507547032 /nfs/dbraw/zinc/54/70/32/507547032.db2.gz NOFZMJHPOBPZDE-UHFFFAOYSA-N 1 2 360.421 2.634 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3ccc(F)cc3)CC2)cc1 ZINC000025989015 507549888 /nfs/dbraw/zinc/54/98/88/507549888.db2.gz OWBQCCIFEIOKDO-UHFFFAOYSA-N 1 2 366.440 2.767 20 30 FFEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000060532568 507557748 /nfs/dbraw/zinc/55/77/48/507557748.db2.gz JCXQYGHRWMWJQC-UHFFFAOYSA-N 1 2 363.421 2.564 20 30 FFEDLO O=C(NCC#Cc1ccccc1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000069986552 507597012 /nfs/dbraw/zinc/59/70/12/507597012.db2.gz LGFVXVATTRMCKO-FQEVSTJZSA-N 1 2 350.487 2.944 20 30 FFEDLO COc1cccc(NC(=O)CC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000367128751 512351142 /nfs/dbraw/zinc/35/11/42/512351142.db2.gz GOWQBCSLJQEECX-FQEVSTJZSA-N 1 2 365.433 2.969 20 30 FFEDLO COc1cccc(NC(=O)CC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000367128751 512351146 /nfs/dbraw/zinc/35/11/46/512351146.db2.gz GOWQBCSLJQEECX-FQEVSTJZSA-N 1 2 365.433 2.969 20 30 FFEDLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000050274116 507676274 /nfs/dbraw/zinc/67/62/74/507676274.db2.gz RXTNOCXSIVFURO-XLIONFOSSA-N 1 2 359.470 2.895 20 30 FFEDLO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000050274116 507676279 /nfs/dbraw/zinc/67/62/79/507676279.db2.gz RXTNOCXSIVFURO-XLIONFOSSA-N 1 2 359.470 2.895 20 30 FFEDLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000051180021 507747154 /nfs/dbraw/zinc/74/71/54/507747154.db2.gz PHILTJSLNMUROG-YESZJQIVSA-N 1 2 372.488 2.997 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1cc(Br)ccc1F ZINC000063741926 507766936 /nfs/dbraw/zinc/76/69/36/507766936.db2.gz DMIHVNMLHZYYFU-UHFFFAOYSA-N 1 2 356.239 2.782 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1cc(Br)ccc1F ZINC000063741926 507766942 /nfs/dbraw/zinc/76/69/42/507766942.db2.gz DMIHVNMLHZYYFU-UHFFFAOYSA-N 1 2 356.239 2.782 20 30 FFEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)CC(=O)N(CC)C[C@H](C)C#N ZINC000051452335 507771595 /nfs/dbraw/zinc/77/15/95/507771595.db2.gz RHGKHOZDKBKCTH-MRXNPFEDSA-N 1 2 358.486 2.654 20 30 FFEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)CC(=O)N(CC)C[C@H](C)C#N ZINC000051452335 507771598 /nfs/dbraw/zinc/77/15/98/507771598.db2.gz RHGKHOZDKBKCTH-MRXNPFEDSA-N 1 2 358.486 2.654 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)C[C@H](C)C#N ZINC000064248808 507787548 /nfs/dbraw/zinc/78/75/48/507787548.db2.gz SOSZRBDTDALKEK-SJLPKXTDSA-N 1 2 371.481 2.993 20 30 FFEDLO CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)C[C@H](C)C#N ZINC000064248808 507787551 /nfs/dbraw/zinc/78/75/51/507787551.db2.gz SOSZRBDTDALKEK-SJLPKXTDSA-N 1 2 371.481 2.993 20 30 FFEDLO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000051953709 507790724 /nfs/dbraw/zinc/79/07/24/507790724.db2.gz QNQPOMSLAUCZRL-HNNXBMFYSA-N 1 2 360.421 2.886 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029858387 507793937 /nfs/dbraw/zinc/79/39/37/507793937.db2.gz CJEFGZUQUOJZFY-AWEZNQCLSA-N 1 2 370.403 2.986 20 30 FFEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCOCC1 ZINC000072520587 507802055 /nfs/dbraw/zinc/80/20/55/507802055.db2.gz ZPVILGQSBZCZQW-HXUWFJFHSA-N 1 2 370.497 2.591 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000369346096 512362014 /nfs/dbraw/zinc/36/20/14/512362014.db2.gz BSIZRRKEEGWSQT-ZDUSSCGKSA-N 1 2 364.858 2.513 20 30 FFEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000410765506 512362408 /nfs/dbraw/zinc/36/24/08/512362408.db2.gz CZPWNFGZZOHIPR-OAHLLOKOSA-N 1 2 363.889 2.580 20 30 FFEDLO CCn1cc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)cn1 ZINC000072988975 507881740 /nfs/dbraw/zinc/88/17/40/507881740.db2.gz DKQXILGPZZFTCL-MRXNPFEDSA-N 1 2 369.469 2.679 20 30 FFEDLO CCn1cc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)cn1 ZINC000072988975 507881742 /nfs/dbraw/zinc/88/17/42/507881742.db2.gz DKQXILGPZZFTCL-MRXNPFEDSA-N 1 2 369.469 2.679 20 30 FFEDLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078616307 507889608 /nfs/dbraw/zinc/88/96/08/507889608.db2.gz JQRMXSRJHHBIPT-HDAAZOAOSA-N 1 2 368.525 2.762 20 30 FFEDLO CC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000108362015 507890324 /nfs/dbraw/zinc/89/03/24/507890324.db2.gz ZTHNMPGTVAJKGR-CQSZACIVSA-N 1 2 374.510 2.620 20 30 FFEDLO CC(C)N(C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000073108137 507894896 /nfs/dbraw/zinc/89/48/96/507894896.db2.gz GSDDJPZWEMXTFT-UHFFFAOYSA-N 1 2 363.465 2.517 20 30 FFEDLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ncccc3C#N)CC2)c1C ZINC000073647645 507942240 /nfs/dbraw/zinc/94/22/40/507942240.db2.gz GPWDJABCZWPYME-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C2(C#N)CCOCC2)CC1 ZINC000109139301 507942538 /nfs/dbraw/zinc/94/25/38/507942538.db2.gz JTWXMTBMBBNISS-OAHLLOKOSA-N 1 2 361.873 2.866 20 30 FFEDLO COC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000091864076 508020215 /nfs/dbraw/zinc/02/02/15/508020215.db2.gz XXCGDKOREKNLGD-GOSISDBHSA-N 1 2 373.840 2.837 20 30 FFEDLO N#Cc1ccc(N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)c(F)c1 ZINC000110469639 508029198 /nfs/dbraw/zinc/02/91/98/508029198.db2.gz KXOFENWQHSTYLW-UHFFFAOYSA-N 1 2 366.444 2.804 20 30 FFEDLO N#Cc1ccc(N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)c(F)c1 ZINC000110469639 508029200 /nfs/dbraw/zinc/02/92/00/508029200.db2.gz KXOFENWQHSTYLW-UHFFFAOYSA-N 1 2 366.444 2.804 20 30 FFEDLO CCCOc1ccccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000080165605 508046027 /nfs/dbraw/zinc/04/60/27/508046027.db2.gz XNZKMDGZGBAOBZ-UHFFFAOYSA-N 1 2 360.458 2.555 20 30 FFEDLO CC(C)(C)CN(CCC#N)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000111250554 508082627 /nfs/dbraw/zinc/08/26/27/508082627.db2.gz ABBPYEBUFQPZMU-UHFFFAOYSA-N 1 2 362.543 2.654 20 30 FFEDLO COC(=O)[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000093083133 508120339 /nfs/dbraw/zinc/12/03/39/508120339.db2.gz ZKXHJDYLIPAMFZ-HXUWFJFHSA-N 1 2 366.417 2.511 20 30 FFEDLO COC(=O)[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000093083133 508120342 /nfs/dbraw/zinc/12/03/42/508120342.db2.gz ZKXHJDYLIPAMFZ-HXUWFJFHSA-N 1 2 366.417 2.511 20 30 FFEDLO N#Cc1ccccc1OC1CCC(NC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000111788610 508122098 /nfs/dbraw/zinc/12/20/98/508122098.db2.gz GMANLUBPKYKFAT-UHFFFAOYSA-N 1 2 367.453 2.834 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](O)C2)c1C#N ZINC000093342980 508140681 /nfs/dbraw/zinc/14/06/81/508140681.db2.gz GGXDWYQNZAVWFV-AUUYWEPGSA-N 1 2 366.465 2.607 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c1C#N ZINC000093342980 508140684 /nfs/dbraw/zinc/14/06/84/508140684.db2.gz GGXDWYQNZAVWFV-AUUYWEPGSA-N 1 2 366.465 2.607 20 30 FFEDLO Cc1oc(-c2cccs2)nc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000081158527 508142703 /nfs/dbraw/zinc/14/27/03/508142703.db2.gz BYPVLNPBFLSLIA-UHFFFAOYSA-N 1 2 360.483 2.759 20 30 FFEDLO C=CCNC(=O)c1ccc(NC[C@H](c2cccs2)[NH+]2CCOCC2)nc1 ZINC000112513089 508192500 /nfs/dbraw/zinc/19/25/00/508192500.db2.gz ZWNFRYWCMKGQFF-MRXNPFEDSA-N 1 2 372.494 2.544 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CCN1CCCC1=O ZINC000112703868 508212662 /nfs/dbraw/zinc/21/26/62/508212662.db2.gz CCSWDISKYKPOFR-HNNXBMFYSA-N 1 2 374.510 2.574 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CCN1CCCC1=O ZINC000112703868 508212663 /nfs/dbraw/zinc/21/26/63/508212663.db2.gz CCSWDISKYKPOFR-HNNXBMFYSA-N 1 2 374.510 2.574 20 30 FFEDLO COc1ccc([C@@H](NC(=O)c2cc(C#N)cs2)c2[nH+]ccn2C)cc1 ZINC000084073071 508264512 /nfs/dbraw/zinc/26/45/12/508264512.db2.gz PDPKTHVPMKHVKT-MRXNPFEDSA-N 1 2 352.419 2.881 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)Cc2cn[nH]c2)c1C#N ZINC000085825513 508317990 /nfs/dbraw/zinc/31/79/90/508317990.db2.gz KGKDUCJJDJOVOA-UHFFFAOYSA-N 1 2 354.458 2.885 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)Cc2cn[nH]c2)c1C#N ZINC000085825513 508317992 /nfs/dbraw/zinc/31/79/92/508317992.db2.gz KGKDUCJJDJOVOA-UHFFFAOYSA-N 1 2 354.458 2.885 20 30 FFEDLO CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)N(C)C1(C#N)CCCCC1)C2 ZINC000106373605 508399906 /nfs/dbraw/zinc/39/99/06/508399906.db2.gz QVORSTLLMFQLSW-UHFFFAOYSA-N 1 2 357.502 2.586 20 30 FFEDLO COc1cc(F)c([C@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115600364 508417641 /nfs/dbraw/zinc/41/76/41/508417641.db2.gz LJZALUNUWNMFPS-BBATYDOGSA-N 1 2 357.385 2.592 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000152468019 508452720 /nfs/dbraw/zinc/45/27/20/508452720.db2.gz KVRLKOCVRPCUQF-ZBFHGGJFSA-N 1 2 364.453 2.691 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000152468019 508452723 /nfs/dbraw/zinc/45/27/23/508452723.db2.gz KVRLKOCVRPCUQF-ZBFHGGJFSA-N 1 2 364.453 2.691 20 30 FFEDLO O=S(=O)(C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1)N1CCCC1 ZINC000367228894 512397472 /nfs/dbraw/zinc/39/74/72/512397472.db2.gz CLMVVVYOBSEPRP-UHFFFAOYSA-N 1 2 366.914 2.582 20 30 FFEDLO N#Cc1cccc(OCCC[N@H+]2CCC[C@H]2C(=O)Nc2nccs2)c1 ZINC000127598338 508474265 /nfs/dbraw/zinc/47/42/65/508474265.db2.gz RVDHRHGXKNGCRH-INIZCTEOSA-N 1 2 356.451 2.887 20 30 FFEDLO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H]2C(=O)Nc2nccs2)c1 ZINC000127598338 508474266 /nfs/dbraw/zinc/47/42/66/508474266.db2.gz RVDHRHGXKNGCRH-INIZCTEOSA-N 1 2 356.451 2.887 20 30 FFEDLO OC[C@@H](O)C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCC(F)(F)F ZINC000122165878 508491818 /nfs/dbraw/zinc/49/18/18/508491818.db2.gz LZCNWRPOBUMSKF-AWEZNQCLSA-N 1 2 369.305 2.665 20 30 FFEDLO OC[C@@H](O)C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCC(F)(F)F ZINC000122165878 508491819 /nfs/dbraw/zinc/49/18/19/508491819.db2.gz LZCNWRPOBUMSKF-AWEZNQCLSA-N 1 2 369.305 2.665 20 30 FFEDLO N#Cc1ccc(CSCC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000152783209 508515603 /nfs/dbraw/zinc/51/56/03/508515603.db2.gz FZYGXDUMSXGAAZ-KRWDZBQOSA-N 1 2 352.463 2.582 20 30 FFEDLO C[C@@H](C(=O)N(CC#N)C1CCCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000128260699 508569654 /nfs/dbraw/zinc/56/96/54/508569654.db2.gz OFGIZMAHZNWGPW-INIZCTEOSA-N 1 2 358.461 2.631 20 30 FFEDLO CCS[C@@H](C)c1noc(CO[NH+]=C(N)Cc2ccc(OC)cc2)n1 ZINC000153359366 508575694 /nfs/dbraw/zinc/57/56/94/508575694.db2.gz YTKYOOHUYVXLLX-NSHDSACASA-N 1 2 350.444 2.924 20 30 FFEDLO C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000117075081 508578583 /nfs/dbraw/zinc/57/85/83/508578583.db2.gz MWWCSMUTUDEPEI-CQSZACIVSA-N 1 2 372.494 2.794 20 30 FFEDLO C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000117075081 508578587 /nfs/dbraw/zinc/57/85/87/508578587.db2.gz MWWCSMUTUDEPEI-CQSZACIVSA-N 1 2 372.494 2.794 20 30 FFEDLO N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000157594335 508585476 /nfs/dbraw/zinc/58/54/76/508585476.db2.gz LTYOKAAYCJBIHA-UHFFFAOYSA-N 1 2 374.404 2.776 20 30 FFEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000157594335 508585481 /nfs/dbraw/zinc/58/54/81/508585481.db2.gz LTYOKAAYCJBIHA-UHFFFAOYSA-N 1 2 374.404 2.776 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117351920 508594718 /nfs/dbraw/zinc/59/47/18/508594718.db2.gz INYZNHRBAACOTL-LLVKDONJSA-N 1 2 359.314 2.858 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117351920 508594719 /nfs/dbraw/zinc/59/47/19/508594719.db2.gz INYZNHRBAACOTL-LLVKDONJSA-N 1 2 359.314 2.858 20 30 FFEDLO N#Cc1cc(S(=O)(=O)NCCNc2ccc3ccccc3[nH+]2)ccc1F ZINC000123536232 508702524 /nfs/dbraw/zinc/70/25/24/508702524.db2.gz HKSOASSXTOWHFL-UHFFFAOYSA-N 1 2 370.409 2.636 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=O)CN([C@@H]2CCO[C@H](C3CC3)C2)C1=[NH2+] ZINC000154216604 508738901 /nfs/dbraw/zinc/73/89/01/508738901.db2.gz RHXYHVFXLWNEBJ-KDOFPFPSSA-N 1 2 366.465 2.604 20 30 FFEDLO Cc1ccccc1N1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000137156254 508740639 /nfs/dbraw/zinc/74/06/39/508740639.db2.gz VYHQCTNMSJNALO-SFHVURJKSA-N 1 2 354.498 2.848 20 30 FFEDLO C=CCOc1cc(OC)ccc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000138105982 508768830 /nfs/dbraw/zinc/76/88/30/508768830.db2.gz NCLOAAUCZYKSPC-UHFFFAOYSA-N 1 2 359.451 2.957 20 30 FFEDLO C=CCOc1cc(OC)ccc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000138105982 508768834 /nfs/dbraw/zinc/76/88/34/508768834.db2.gz NCLOAAUCZYKSPC-UHFFFAOYSA-N 1 2 359.451 2.957 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)NCc1[nH+]ccn1CC(C)C ZINC000131025311 508878725 /nfs/dbraw/zinc/87/87/25/508878725.db2.gz NLSXJJDSBHBNAD-UHFFFAOYSA-N 1 2 370.453 2.895 20 30 FFEDLO CC(C)(C)c1cnc(CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)o1 ZINC000131327202 508916365 /nfs/dbraw/zinc/91/63/65/508916365.db2.gz GKDJIOWETGHMFV-UHFFFAOYSA-N 1 2 372.469 2.641 20 30 FFEDLO N#Cc1cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)ccc1OCC(F)(F)F ZINC000160007359 508924611 /nfs/dbraw/zinc/92/46/11/508924611.db2.gz RVDTWXMAQGRNEV-LLVKDONJSA-N 1 2 364.327 2.897 20 30 FFEDLO Cc1ccc(C#N)cc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000120233693 508954927 /nfs/dbraw/zinc/95/49/27/508954927.db2.gz ITUBCCVGFXLDRX-UHFFFAOYSA-N 1 2 355.486 2.547 20 30 FFEDLO CCC[C@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000131690987 508960800 /nfs/dbraw/zinc/96/08/00/508960800.db2.gz ICKXRRLMSTURNP-KRWDZBQOSA-N 1 2 368.399 2.674 20 30 FFEDLO CCC[C@H]1C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000131690987 508960803 /nfs/dbraw/zinc/96/08/03/508960803.db2.gz ICKXRRLMSTURNP-KRWDZBQOSA-N 1 2 368.399 2.674 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccccc1Br ZINC000155626072 509040537 /nfs/dbraw/zinc/04/05/37/509040537.db2.gz NTQXSYHJDSQYIW-CYBMUJFWSA-N 1 2 372.270 2.821 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccccc1Br ZINC000155626072 509040538 /nfs/dbraw/zinc/04/05/38/509040538.db2.gz NTQXSYHJDSQYIW-CYBMUJFWSA-N 1 2 372.270 2.821 20 30 FFEDLO O[C@@]1(C(F)(F)F)CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000155735069 509061780 /nfs/dbraw/zinc/06/17/80/509061780.db2.gz YAFZAXACJCXEQH-ZDUSSCGKSA-N 1 2 353.262 2.936 20 30 FFEDLO O[C@@]1(C(F)(F)F)CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000155735069 509061782 /nfs/dbraw/zinc/06/17/82/509061782.db2.gz YAFZAXACJCXEQH-ZDUSSCGKSA-N 1 2 353.262 2.936 20 30 FFEDLO CCO[C@@H]1C[C@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C12CCC2 ZINC000120796692 509066686 /nfs/dbraw/zinc/06/66/86/509066686.db2.gz YDADUEPKVWQNMW-ZWKOTPCHSA-N 1 2 362.495 2.611 20 30 FFEDLO CCO[C@@H]1C[C@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C12CCC2 ZINC000120796692 509066690 /nfs/dbraw/zinc/06/66/90/509066690.db2.gz YDADUEPKVWQNMW-ZWKOTPCHSA-N 1 2 362.495 2.611 20 30 FFEDLO CCOC(=O)Nc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1C#N ZINC000161179669 509081815 /nfs/dbraw/zinc/08/18/15/509081815.db2.gz HCADWKZZWYLQAT-LBPRGKRZSA-N 1 2 353.382 2.524 20 30 FFEDLO CCOc1cccc(N2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)n1 ZINC000120901153 509085671 /nfs/dbraw/zinc/08/56/71/509085671.db2.gz TYGSGMIESGKUGT-UHFFFAOYSA-N 1 2 352.438 2.683 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@]1(C#N)CCC[C@@H](C)C1)CC2 ZINC000151831969 509092278 /nfs/dbraw/zinc/09/22/78/509092278.db2.gz SGOXQVGVVKNQFR-QVKFZJNVSA-N 1 2 371.481 2.651 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@]1(C#N)CCC[C@@H](C)C1)CC2 ZINC000151831969 509092282 /nfs/dbraw/zinc/09/22/82/509092282.db2.gz SGOXQVGVVKNQFR-QVKFZJNVSA-N 1 2 371.481 2.651 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@]1(C#N)CCC[C@H](C)C1)CC2 ZINC000151832039 509092420 /nfs/dbraw/zinc/09/24/20/509092420.db2.gz SGOXQVGVVKNQFR-YCRPNKLZSA-N 1 2 371.481 2.651 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@]1(C#N)CCC[C@H](C)C1)CC2 ZINC000151832039 509092422 /nfs/dbraw/zinc/09/24/22/509092422.db2.gz SGOXQVGVVKNQFR-YCRPNKLZSA-N 1 2 371.481 2.651 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2c(Br)cccc2C1 ZINC000121161251 509141904 /nfs/dbraw/zinc/14/19/04/509141904.db2.gz AMTPGECDDPHMNQ-UHFFFAOYSA-N 1 2 350.260 2.569 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2c(Br)cccc2C1 ZINC000121161251 509141906 /nfs/dbraw/zinc/14/19/06/509141906.db2.gz AMTPGECDDPHMNQ-UHFFFAOYSA-N 1 2 350.260 2.569 20 30 FFEDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(C#N)ccc1OC ZINC000178949952 509199249 /nfs/dbraw/zinc/19/92/49/509199249.db2.gz LAQQSAWMSKGESY-UHFFFAOYSA-N 1 2 355.413 2.844 20 30 FFEDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(C#N)ccc1OC ZINC000178949952 509199255 /nfs/dbraw/zinc/19/92/55/509199255.db2.gz LAQQSAWMSKGESY-UHFFFAOYSA-N 1 2 355.413 2.844 20 30 FFEDLO N#CCC[N@@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)CC1CC1 ZINC000266928972 509262428 /nfs/dbraw/zinc/26/24/28/509262428.db2.gz NUWOHGFBTGEASE-UHFFFAOYSA-N 1 2 351.397 2.572 20 30 FFEDLO N#CCC[N@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)CC1CC1 ZINC000266928972 509262434 /nfs/dbraw/zinc/26/24/34/509262434.db2.gz NUWOHGFBTGEASE-UHFFFAOYSA-N 1 2 351.397 2.572 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000216592835 509262991 /nfs/dbraw/zinc/26/29/91/509262991.db2.gz JNFUQFJYXXXBOY-MJGOQNOKSA-N 1 2 354.498 2.717 20 30 FFEDLO CC(C)(C)C[N@H+](CCC#N)CCN(Cc1ccccc1)S(C)(=O)=O ZINC000192035927 509309693 /nfs/dbraw/zinc/30/96/93/509309693.db2.gz TUIWZTBMPGSMFV-UHFFFAOYSA-N 1 2 351.516 2.710 20 30 FFEDLO CC(C)(C)C[N@@H+](CCC#N)CCN(Cc1ccccc1)S(C)(=O)=O ZINC000192035927 509309698 /nfs/dbraw/zinc/30/96/98/509309698.db2.gz TUIWZTBMPGSMFV-UHFFFAOYSA-N 1 2 351.516 2.710 20 30 FFEDLO C=CC[C@@H](CO)NC(=O)c1ccccc1OCc1cn2cccc(C)c2[nH+]1 ZINC000185751852 509337941 /nfs/dbraw/zinc/33/79/41/509337941.db2.gz OWWVKLMMTHNRPH-INIZCTEOSA-N 1 2 365.433 2.889 20 30 FFEDLO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000189035036 509379823 /nfs/dbraw/zinc/37/98/23/509379823.db2.gz MZGCYKFSEYALML-HXUWFJFHSA-N 1 2 359.470 2.868 20 30 FFEDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000189035036 509379829 /nfs/dbraw/zinc/37/98/29/509379829.db2.gz MZGCYKFSEYALML-HXUWFJFHSA-N 1 2 359.470 2.868 20 30 FFEDLO COCC1=CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 ZINC000185893002 509411885 /nfs/dbraw/zinc/41/18/85/509411885.db2.gz GJXJQSVDEVMGMV-INIZCTEOSA-N 1 2 357.454 2.609 20 30 FFEDLO COCC1=CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 ZINC000185893002 509411887 /nfs/dbraw/zinc/41/18/87/509411887.db2.gz GJXJQSVDEVMGMV-INIZCTEOSA-N 1 2 357.454 2.609 20 30 FFEDLO CCc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1CC ZINC000182773445 509421004 /nfs/dbraw/zinc/42/10/04/509421004.db2.gz UZZIKNMPQXUGLF-UHFFFAOYSA-N 1 2 358.486 2.891 20 30 FFEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1)C1CC1 ZINC000192463969 509529279 /nfs/dbraw/zinc/52/92/79/509529279.db2.gz GOXWUGBVZJZJON-HXUWFJFHSA-N 1 2 357.429 2.529 20 30 FFEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1C ZINC000249030475 509575357 /nfs/dbraw/zinc/57/53/57/509575357.db2.gz FDXLRQJIOIDLBH-HZPDHXFCSA-N 1 2 367.449 2.869 20 30 FFEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1C ZINC000249030475 509575360 /nfs/dbraw/zinc/57/53/60/509575360.db2.gz FDXLRQJIOIDLBH-HZPDHXFCSA-N 1 2 367.449 2.869 20 30 FFEDLO Cc1ccc([C@@H](CNc2ccc(C#N)c([N+](=O)[O-])c2)[NH+]2CCOCC2)o1 ZINC000267899631 509660511 /nfs/dbraw/zinc/66/05/11/509660511.db2.gz AYQJLZDTFXVHQR-QGZVFWFLSA-N 1 2 356.382 2.853 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(C(=O)OC(C)(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000179967154 509692051 /nfs/dbraw/zinc/69/20/51/509692051.db2.gz GECYJLQOXNRGCN-QGZVFWFLSA-N 1 2 365.495 2.817 20 30 FFEDLO C=CC[N@H+](Cc1cccc(C(=O)OC(C)(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000179967154 509692062 /nfs/dbraw/zinc/69/20/62/509692062.db2.gz GECYJLQOXNRGCN-QGZVFWFLSA-N 1 2 365.495 2.817 20 30 FFEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)cc1 ZINC000186492056 509736696 /nfs/dbraw/zinc/73/66/96/509736696.db2.gz YLGUBILGSNOVLL-UHFFFAOYSA-N 1 2 371.387 2.759 20 30 FFEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(O)c1 ZINC000264884351 509756627 /nfs/dbraw/zinc/75/66/27/509756627.db2.gz ORUSNIRQEFVJFC-MRXNPFEDSA-N 1 2 364.449 2.852 20 30 FFEDLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cnc2ccc(C#N)cn12 ZINC000180114228 509760571 /nfs/dbraw/zinc/76/05/71/509760571.db2.gz ZEZZNQXYANTXGT-UHFFFAOYSA-N 1 2 353.813 2.930 20 30 FFEDLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cnc2ccc(C#N)cn12 ZINC000180114228 509760577 /nfs/dbraw/zinc/76/05/77/509760577.db2.gz ZEZZNQXYANTXGT-UHFFFAOYSA-N 1 2 353.813 2.930 20 30 FFEDLO CN(CC(=O)Nc1cccc(Cl)c1)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000180114228 509760580 /nfs/dbraw/zinc/76/05/80/509760580.db2.gz ZEZZNQXYANTXGT-UHFFFAOYSA-N 1 2 353.813 2.930 20 30 FFEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000180142135 509774692 /nfs/dbraw/zinc/77/46/92/509774692.db2.gz NWQXJAIBYXNULS-WFASDCNBSA-N 1 2 364.858 2.680 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)c3cccc(F)c3C#N)c[nH+]2)C[C@H](C)O1 ZINC000186715378 509867747 /nfs/dbraw/zinc/86/77/47/509867747.db2.gz NVFDWHXEJGVXPH-KBPBESRZSA-N 1 2 368.412 2.636 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000186719564 509870021 /nfs/dbraw/zinc/87/00/21/509870021.db2.gz ZUZKJHUPWNNJTL-QGZVFWFLSA-N 1 2 369.490 2.767 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)Nc1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000193518867 509948250 /nfs/dbraw/zinc/94/82/50/509948250.db2.gz QMRXVRWMHHESHG-LBPRGKRZSA-N 1 2 362.380 2.840 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000187041354 510023732 /nfs/dbraw/zinc/02/37/32/510023732.db2.gz NWJDZAVJVQUIOM-GDBMZVCRSA-N 1 2 361.492 2.545 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000187041354 510023743 /nfs/dbraw/zinc/02/37/43/510023743.db2.gz NWJDZAVJVQUIOM-GDBMZVCRSA-N 1 2 361.492 2.545 20 30 FFEDLO C=CC[C@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000245760817 510135530 /nfs/dbraw/zinc/13/55/30/510135530.db2.gz PYCSYBFOHPWFTF-IAOVAPTHSA-N 1 2 351.878 2.976 20 30 FFEDLO C=CC[C@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000245760817 510135539 /nfs/dbraw/zinc/13/55/39/510135539.db2.gz PYCSYBFOHPWFTF-IAOVAPTHSA-N 1 2 351.878 2.976 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCCCCC#N ZINC000171448450 510164053 /nfs/dbraw/zinc/16/40/53/510164053.db2.gz GXDMLEQLNFGUCG-GOSISDBHSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(Br)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000177716334 510213713 /nfs/dbraw/zinc/21/37/13/510213713.db2.gz AHDOIQLGXTWQRO-GFCCVEGCSA-N 1 2 362.264 2.763 20 30 FFEDLO C=CC[N@H+](Cc1ccc(Br)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000177716334 510213720 /nfs/dbraw/zinc/21/37/20/510213720.db2.gz AHDOIQLGXTWQRO-GFCCVEGCSA-N 1 2 362.264 2.763 20 30 FFEDLO COc1ccc(C[NH+]2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1C#N ZINC000180981289 510220757 /nfs/dbraw/zinc/22/07/57/510220757.db2.gz NWKVACXLIXTJOT-UHFFFAOYSA-N 1 2 361.449 2.761 20 30 FFEDLO N#Cc1nnc2ccccc2c1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000265870611 510273100 /nfs/dbraw/zinc/27/31/00/510273100.db2.gz VRJDQXHMCVEGQO-UHFFFAOYSA-N 1 2 350.451 2.670 20 30 FFEDLO N#Cc1nnc2ccccc2c1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000265870611 510273106 /nfs/dbraw/zinc/27/31/06/510273106.db2.gz VRJDQXHMCVEGQO-UHFFFAOYSA-N 1 2 350.451 2.670 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(F)cc1Br ZINC000174831501 510332559 /nfs/dbraw/zinc/33/25/59/510332559.db2.gz KXCXDQAGNOMQKE-UHFFFAOYSA-N 1 2 370.266 2.636 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OCc2ccncc2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000171747795 510343242 /nfs/dbraw/zinc/34/32/42/510343242.db2.gz IWQUXQDZJHWIRH-LJQANCHMSA-N 1 2 372.490 2.836 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OCc2ccncc2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000171747795 510343251 /nfs/dbraw/zinc/34/32/51/510343251.db2.gz IWQUXQDZJHWIRH-LJQANCHMSA-N 1 2 372.490 2.836 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc(-c2ccco2)s1 ZINC000194432858 510361047 /nfs/dbraw/zinc/36/10/47/510361047.db2.gz HJCATVQWSHGHLR-CYBMUJFWSA-N 1 2 366.450 2.775 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc(-c2ccco2)s1 ZINC000194432858 510361054 /nfs/dbraw/zinc/36/10/54/510361054.db2.gz HJCATVQWSHGHLR-CYBMUJFWSA-N 1 2 366.450 2.775 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000184655186 510442619 /nfs/dbraw/zinc/44/26/19/510442619.db2.gz HJEFXQQEULRRRD-HZPDHXFCSA-N 1 2 350.532 2.635 20 30 FFEDLO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000269549314 510458181 /nfs/dbraw/zinc/45/81/81/510458181.db2.gz XXRFXVVLSWYWDH-XJKSGUPXSA-N 1 2 374.485 2.723 20 30 FFEDLO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000269549314 510458189 /nfs/dbraw/zinc/45/81/89/510458189.db2.gz XXRFXVVLSWYWDH-XJKSGUPXSA-N 1 2 374.485 2.723 20 30 FFEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000171939645 510462504 /nfs/dbraw/zinc/46/25/04/510462504.db2.gz VKTUKFAMLMWRTQ-UHFFFAOYSA-N 1 2 360.477 2.736 20 30 FFEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000171939645 510462508 /nfs/dbraw/zinc/46/25/08/510462508.db2.gz VKTUKFAMLMWRTQ-UHFFFAOYSA-N 1 2 360.477 2.736 20 30 FFEDLO C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000172149296 510569958 /nfs/dbraw/zinc/56/99/58/510569958.db2.gz SASLUEYYMMOYSO-CQSZACIVSA-N 1 2 352.438 2.906 20 30 FFEDLO Cc1cc2[nH+]cn(C[C@@H](O)CN(CCC#N)Cc3ccccn3)c2cc1C ZINC000178384556 510577630 /nfs/dbraw/zinc/57/76/30/510577630.db2.gz BOSABNGJMJOJBN-IBGZPJMESA-N 1 2 363.465 2.825 20 30 FFEDLO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1nccs1 ZINC000185102416 510685183 /nfs/dbraw/zinc/68/51/83/510685183.db2.gz FXRSMZIMFVLTQI-HNNXBMFYSA-N 1 2 366.450 2.880 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000246910274 510740884 /nfs/dbraw/zinc/74/08/84/510740884.db2.gz CJLJUAIGUBEMJJ-DOTOQJQBSA-N 1 2 359.445 2.729 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000246910274 510740892 /nfs/dbraw/zinc/74/08/92/510740892.db2.gz CJLJUAIGUBEMJJ-DOTOQJQBSA-N 1 2 359.445 2.729 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)nc1 ZINC000182080840 510746034 /nfs/dbraw/zinc/74/60/34/510746034.db2.gz UBALPXAGGJRFQB-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000195415336 510818612 /nfs/dbraw/zinc/81/86/12/510818612.db2.gz SOSFLNIIIDDSHQ-JKSUJKDBSA-N 1 2 365.481 2.532 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000247376913 510859174 /nfs/dbraw/zinc/85/91/74/510859174.db2.gz PNNSOSRBJLEDRX-SXLOBPIMSA-N 1 2 371.481 2.510 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000247376913 510859175 /nfs/dbraw/zinc/85/91/75/510859175.db2.gz PNNSOSRBJLEDRX-SXLOBPIMSA-N 1 2 371.481 2.510 20 30 FFEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCSC2(CCOCC2)C1 ZINC000329905283 510874402 /nfs/dbraw/zinc/87/44/02/510874402.db2.gz APRBBLFPPBLBPZ-UHFFFAOYSA-N 1 2 372.494 2.884 20 30 FFEDLO C=CCn1c(C2CC2)nnc1N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000282212932 510887810 /nfs/dbraw/zinc/88/78/10/510887810.db2.gz HYBOSVSVIRHQQN-UHFFFAOYSA-N 1 2 369.517 2.615 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000275370895 510888273 /nfs/dbraw/zinc/88/82/73/510888273.db2.gz YAABQYOYBDWNCG-QGZVFWFLSA-N 1 2 366.469 2.742 20 30 FFEDLO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)N[C@@H]1CCCOCC1 ZINC000329978013 510892831 /nfs/dbraw/zinc/89/28/31/510892831.db2.gz GTOUNJNJJPNLQX-ZNMIVQPWSA-N 1 2 355.479 2.733 20 30 FFEDLO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)N[C@@H]1CCCOCC1 ZINC000329978013 510892834 /nfs/dbraw/zinc/89/28/34/510892834.db2.gz GTOUNJNJJPNLQX-ZNMIVQPWSA-N 1 2 355.479 2.733 20 30 FFEDLO CCN1CCN(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329996568 510895783 /nfs/dbraw/zinc/89/57/83/510895783.db2.gz PDANAQBUJCBLSP-MANSERQUSA-N 1 2 365.481 2.588 20 30 FFEDLO C[C@H]1CC(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000282250668 510902752 /nfs/dbraw/zinc/90/27/52/510902752.db2.gz OOKHGESUWWAIRW-IRXDYDNUSA-N 1 2 370.497 2.589 20 30 FFEDLO C[C@H](NC(=O)N1CCn2cc[nH+]c2C1)c1ccc(Br)cn1 ZINC000330034290 510904285 /nfs/dbraw/zinc/90/42/85/510904285.db2.gz WHACYOJVUDOXRH-JTQLQIEISA-N 1 2 350.220 2.531 20 30 FFEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000330100412 510916505 /nfs/dbraw/zinc/91/65/05/510916505.db2.gz DNIKMBJIDDGRHT-TYILLQQXSA-N 1 2 368.424 2.732 20 30 FFEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000330100412 510916509 /nfs/dbraw/zinc/91/65/09/510916509.db2.gz DNIKMBJIDDGRHT-TYILLQQXSA-N 1 2 368.424 2.732 20 30 FFEDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cn([C@@H]2CCOC2)nn1 ZINC000330106814 510917955 /nfs/dbraw/zinc/91/79/55/510917955.db2.gz LIRIPSCKHYGSTN-MRXNPFEDSA-N 1 2 370.457 2.520 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C[C@]2(CCCOC2)O1 ZINC000330135952 510923475 /nfs/dbraw/zinc/92/34/75/510923475.db2.gz TUDSOLXHYLVRHR-MDYRTPRTSA-N 1 2 360.454 2.737 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C[C@]2(CCCOC2)O1 ZINC000330135952 510923481 /nfs/dbraw/zinc/92/34/81/510923481.db2.gz TUDSOLXHYLVRHR-MDYRTPRTSA-N 1 2 360.454 2.737 20 30 FFEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)C[C@]2(CCOC2)O1 ZINC000330159927 510927055 /nfs/dbraw/zinc/92/70/55/510927055.db2.gz RKXWXLVIOLUZSI-OHNRDTAOSA-N 1 2 362.426 2.662 20 30 FFEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)C[C@]2(CCOC2)O1 ZINC000330159927 510927059 /nfs/dbraw/zinc/92/70/59/510927059.db2.gz RKXWXLVIOLUZSI-OHNRDTAOSA-N 1 2 362.426 2.662 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000330156278 510927640 /nfs/dbraw/zinc/92/76/40/510927640.db2.gz YSCJEIOUOMEHCE-KDOFPFPSSA-N 1 2 357.454 2.901 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000330156278 510927646 /nfs/dbraw/zinc/92/76/46/510927646.db2.gz YSCJEIOUOMEHCE-KDOFPFPSSA-N 1 2 357.454 2.901 20 30 FFEDLO C[C@H](NC(=O)NC[C@@H]1SCCc2ccccc21)[C@H](C)[NH+]1CCOCC1 ZINC000330187619 510932453 /nfs/dbraw/zinc/93/24/53/510932453.db2.gz KNJSTBKCHLHGLW-MPGHIAIKSA-N 1 2 363.527 2.630 20 30 FFEDLO CN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCCC[C@H]1O ZINC000330242161 510945850 /nfs/dbraw/zinc/94/58/50/510945850.db2.gz CAZWQJJHVVBMFQ-BSDSXHPESA-N 1 2 367.440 2.859 20 30 FFEDLO CN(C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCCC[C@H]1O ZINC000330242161 510945855 /nfs/dbraw/zinc/94/58/55/510945855.db2.gz CAZWQJJHVVBMFQ-BSDSXHPESA-N 1 2 367.440 2.859 20 30 FFEDLO Cc1n[nH]c(C)c1NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285554523 510954057 /nfs/dbraw/zinc/95/40/57/510954057.db2.gz RUHWOEXJBLGJLB-UHFFFAOYSA-N 1 2 371.416 2.519 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000330280955 510956159 /nfs/dbraw/zinc/95/61/59/510956159.db2.gz TYFBSTJIUUETGN-GJYPPUQNSA-N 1 2 362.474 2.682 20 30 FFEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc3n(n2)CCCO3)C[C@@H](C)O1 ZINC000330312565 510962364 /nfs/dbraw/zinc/96/23/64/510962364.db2.gz WOBOXHMLOMKXQV-HUUCEWRRSA-N 1 2 370.453 2.911 20 30 FFEDLO CCc1nc(C)c(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000330338943 510969886 /nfs/dbraw/zinc/96/98/86/510969886.db2.gz WBPTZKILGVFRRI-MRXNPFEDSA-N 1 2 370.544 2.548 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2csc([C@@H]3CCCO3)n2)CCO1 ZINC000330341375 510969897 /nfs/dbraw/zinc/96/98/97/510969897.db2.gz ZDMVEVICKMXYSU-UGFHNGPFSA-N 1 2 362.455 2.953 20 30 FFEDLO CCN1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330353386 510973607 /nfs/dbraw/zinc/97/36/07/510973607.db2.gz OJWGMLUEFFNTLU-OAHLLOKOSA-N 1 2 358.833 2.859 20 30 FFEDLO Cc1ccc(-c2csc(NC(=O)CN3C[C@@H]4[C@H](C3)OCC[N@H+]4C)n2)cc1 ZINC000330361755 510974260 /nfs/dbraw/zinc/97/42/60/510974260.db2.gz YTDDQSPDMBNSKP-SJORKVTESA-N 1 2 372.494 2.721 20 30 FFEDLO Cc1ccc(-c2csc(NC(=O)CN3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)n2)cc1 ZINC000330361755 510974264 /nfs/dbraw/zinc/97/42/64/510974264.db2.gz YTDDQSPDMBNSKP-SJORKVTESA-N 1 2 372.494 2.721 20 30 FFEDLO Cc1nsc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1C#N ZINC000297534426 510982693 /nfs/dbraw/zinc/98/26/93/510982693.db2.gz XYMDUIBBRJGQOA-INIZCTEOSA-N 1 2 371.466 2.518 20 30 FFEDLO COC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC(C)(C)O1 ZINC000330511455 510988368 /nfs/dbraw/zinc/98/83/68/510988368.db2.gz BXOJETMCWMTOFM-SWLSCSKDSA-N 1 2 365.861 2.664 20 30 FFEDLO COC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC(C)(C)O1 ZINC000330511455 510988374 /nfs/dbraw/zinc/98/83/74/510988374.db2.gz BXOJETMCWMTOFM-SWLSCSKDSA-N 1 2 365.861 2.664 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F ZINC000330539607 510995227 /nfs/dbraw/zinc/99/52/27/510995227.db2.gz LTYGSOJWUKDZQU-NSHDSACASA-N 1 2 362.396 2.682 20 30 FFEDLO N#C[C@H]1CN(Cc2[nH+]ccn2CC(F)(F)F)CCN1Cc1ccccc1 ZINC000361138518 510998157 /nfs/dbraw/zinc/99/81/57/510998157.db2.gz AKXAQKCTZOPEDH-INIZCTEOSA-N 1 2 363.387 2.655 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000330602986 511002274 /nfs/dbraw/zinc/00/22/74/511002274.db2.gz JMQXEIXPRFQTGY-LZJOCLMNSA-N 1 2 374.504 2.947 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)N(C)CC[C@H](C)O)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000330792394 511017097 /nfs/dbraw/zinc/01/70/97/511017097.db2.gz BIJRMCKDUYTYQC-KCTSRDHCSA-N 1 2 373.419 2.856 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)N(C)CC[C@H](C)O)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000330792394 511017101 /nfs/dbraw/zinc/01/71/01/511017101.db2.gz BIJRMCKDUYTYQC-KCTSRDHCSA-N 1 2 373.419 2.856 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000297735345 511051761 /nfs/dbraw/zinc/05/17/61/511051761.db2.gz NZESAPKPYLUPHQ-QGZVFWFLSA-N 1 2 358.486 2.711 20 30 FFEDLO Cc1cc(C)c(NC(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)c(C)[nH+]1 ZINC000331322442 511060251 /nfs/dbraw/zinc/06/02/51/511060251.db2.gz LFGIAJZDLDMIEL-LBPRGKRZSA-N 1 2 358.364 2.886 20 30 FFEDLO CC[C@H](C)[C@H](NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1)C(F)(F)F ZINC000331328171 511061464 /nfs/dbraw/zinc/06/14/64/511061464.db2.gz QQFXFSWHEIBFEZ-AVGNSLFASA-N 1 2 361.412 2.979 20 30 FFEDLO Cc1nc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c(Br)s1 ZINC000331356696 511063890 /nfs/dbraw/zinc/06/38/90/511063890.db2.gz SGBRBJULXLLHBE-RKDXNWHRSA-N 1 2 362.293 2.628 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000279419739 511077053 /nfs/dbraw/zinc/07/70/53/511077053.db2.gz WTLPUDJFCYZERV-FTRWYGJKSA-N 1 2 371.481 2.830 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000279419739 511077058 /nfs/dbraw/zinc/07/70/58/511077058.db2.gz WTLPUDJFCYZERV-FTRWYGJKSA-N 1 2 371.481 2.830 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)n1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000364791636 511084383 /nfs/dbraw/zinc/08/43/83/511084383.db2.gz QZGQCFNXNTXARE-JXFKEZNVSA-N 1 2 374.448 2.728 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)n1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000364791636 511084386 /nfs/dbraw/zinc/08/43/86/511084386.db2.gz QZGQCFNXNTXARE-JXFKEZNVSA-N 1 2 374.448 2.728 20 30 FFEDLO C=CC[C@H]1N(C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCC1(C)C ZINC000297941907 511118242 /nfs/dbraw/zinc/11/82/42/511118242.db2.gz ZYAVQXRUZAECMG-JKSUJKDBSA-N 1 2 358.486 2.709 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000279748262 511200212 /nfs/dbraw/zinc/20/02/12/511200212.db2.gz XUMHRDPRYCNVKF-UHFFFAOYSA-N 1 2 362.412 2.600 20 30 FFEDLO CCOc1cc(N2CC[NH+](Cc3ccc(C#N)o3)CC2)ccc1[N+](=O)[O-] ZINC000279835366 511234521 /nfs/dbraw/zinc/23/45/21/511234521.db2.gz QOXUHVSXPINXJF-UHFFFAOYSA-N 1 2 356.382 2.780 20 30 FFEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)CSCC#N ZINC000298478541 511298366 /nfs/dbraw/zinc/29/83/66/511298366.db2.gz GDUKGMHQKRWTNI-UHFFFAOYSA-N 1 2 372.494 2.957 20 30 FFEDLO N#C[C@@]1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CC12CCCC2 ZINC000295184769 511313132 /nfs/dbraw/zinc/31/31/32/511313132.db2.gz SFRUFTHUUZJXFA-XQBPLPMBSA-N 1 2 365.477 2.572 20 30 FFEDLO N#C[C@@]1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CC12CCCC2 ZINC000295184769 511313138 /nfs/dbraw/zinc/31/31/38/511313138.db2.gz SFRUFTHUUZJXFA-XQBPLPMBSA-N 1 2 365.477 2.572 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)c1 ZINC000363108522 511358735 /nfs/dbraw/zinc/35/87/35/511358735.db2.gz VSMJJURKOGFVPV-QFIPXVFZSA-N 1 2 356.429 2.949 20 30 FFEDLO C=CCn1c(-c2ccccc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000283455273 511373405 /nfs/dbraw/zinc/37/34/05/511373405.db2.gz IQSJEBIZTRCPKD-UHFFFAOYSA-N 1 2 364.453 2.750 20 30 FFEDLO CC(=O)c1ccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000298784874 511409544 /nfs/dbraw/zinc/40/95/44/511409544.db2.gz HEKNMZBGHXHEJR-UHFFFAOYSA-N 1 2 361.445 2.648 20 30 FFEDLO C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292042878 511442519 /nfs/dbraw/zinc/44/25/19/511442519.db2.gz ARTDUHMUJDENGN-QAPCUYQASA-N 1 2 360.421 2.748 20 30 FFEDLO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292042878 511442523 /nfs/dbraw/zinc/44/25/23/511442523.db2.gz ARTDUHMUJDENGN-QAPCUYQASA-N 1 2 360.421 2.748 20 30 FFEDLO Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@@H]3[C@@H](C#N)c3ccccc3)sc2n1 ZINC000363285063 511462413 /nfs/dbraw/zinc/46/24/13/511462413.db2.gz BFMVYBFKBKNYSV-JKSUJKDBSA-N 1 2 365.462 2.731 20 30 FFEDLO Cc1cc(=O)n2nc(C[N@H+]3CCC[C@@H]3[C@@H](C#N)c3ccccc3)sc2n1 ZINC000363285063 511462417 /nfs/dbraw/zinc/46/24/17/511462417.db2.gz BFMVYBFKBKNYSV-JKSUJKDBSA-N 1 2 365.462 2.731 20 30 FFEDLO Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1C ZINC000292246364 511520595 /nfs/dbraw/zinc/52/05/95/511520595.db2.gz QOHYVQLUUSKZNA-QGZVFWFLSA-N 1 2 350.422 2.662 20 30 FFEDLO Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1C ZINC000292246364 511520603 /nfs/dbraw/zinc/52/06/03/511520603.db2.gz QOHYVQLUUSKZNA-QGZVFWFLSA-N 1 2 350.422 2.662 20 30 FFEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C3CC3)n2)cc1 ZINC000273320738 511521924 /nfs/dbraw/zinc/52/19/24/511521924.db2.gz PRPWTRVBMRLEEL-RBZFPXEDSA-N 1 2 367.453 2.758 20 30 FFEDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)c1 ZINC000292321408 511552571 /nfs/dbraw/zinc/55/25/71/511552571.db2.gz VVJUUILYSVRVFJ-KRWDZBQOSA-N 1 2 350.422 2.662 20 30 FFEDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)c1 ZINC000292321408 511552576 /nfs/dbraw/zinc/55/25/76/511552576.db2.gz VVJUUILYSVRVFJ-KRWDZBQOSA-N 1 2 350.422 2.662 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000296024719 511592937 /nfs/dbraw/zinc/59/29/37/511592937.db2.gz PMGSVJIHRPNWOR-IRXDYDNUSA-N 1 2 368.485 2.816 20 30 FFEDLO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H](F)C(F)(F)F ZINC000365677564 511596512 /nfs/dbraw/zinc/59/65/12/511596512.db2.gz PDTZKAGJPRFDSB-RTBKNWGFSA-N 1 2 350.278 2.808 20 30 FFEDLO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C(F)C(F)(F)F ZINC000365677564 511596517 /nfs/dbraw/zinc/59/65/17/511596517.db2.gz PDTZKAGJPRFDSB-RTBKNWGFSA-N 1 2 350.278 2.808 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000280857856 511630939 /nfs/dbraw/zinc/63/09/39/511630939.db2.gz CINQTKPSWQEIHJ-OWQGQXMQSA-N 1 2 367.440 2.848 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2F)C1=O ZINC000281245633 511773558 /nfs/dbraw/zinc/77/35/58/511773558.db2.gz GLCPPANCXPJILC-IAQYHMDHSA-N 1 2 353.825 2.525 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2F)C1=O ZINC000281245633 511773562 /nfs/dbraw/zinc/77/35/62/511773562.db2.gz GLCPPANCXPJILC-IAQYHMDHSA-N 1 2 353.825 2.525 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(SC(F)F)cc2)C1=O ZINC000281249848 511775518 /nfs/dbraw/zinc/77/55/18/511775518.db2.gz GTZSSEJTKPNISL-AWEZNQCLSA-N 1 2 369.437 2.659 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(SC(F)F)cc2)C1=O ZINC000281249848 511775525 /nfs/dbraw/zinc/77/55/25/511775525.db2.gz GTZSSEJTKPNISL-AWEZNQCLSA-N 1 2 369.437 2.659 20 30 FFEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cccc(O)c3Cl)C2=O)cc1 ZINC000293205429 511881235 /nfs/dbraw/zinc/88/12/35/511881235.db2.gz IWXQRMRUSYOCHO-MRXNPFEDSA-N 1 2 355.825 2.808 20 30 FFEDLO Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)Nc2cc[nH+]c(C)c2)cs1 ZINC000328652614 511909730 /nfs/dbraw/zinc/90/97/30/511909730.db2.gz WMULMLYHZSBZDU-BBRMVZONSA-N 1 2 363.462 2.515 20 30 FFEDLO O=C(NC[C@@H]1CCC2(CCCCC2)O1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000328664214 511913074 /nfs/dbraw/zinc/91/30/74/511913074.db2.gz BKVPECZSLXZUQE-IBGZPJMESA-N 1 2 372.513 2.995 20 30 FFEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC(c2nccs2)CC1 ZINC000328741943 511924772 /nfs/dbraw/zinc/92/47/72/511924772.db2.gz NQGKGKYOJQNEHB-OAHLLOKOSA-N 1 2 357.483 2.910 20 30 FFEDLO O=C(C[NH+]1CCN(c2cncc(F)c2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000328868435 511942233 /nfs/dbraw/zinc/94/22/33/511942233.db2.gz HGODESAPALIWQH-GOSISDBHSA-N 1 2 370.428 2.823 20 30 FFEDLO O=C(NCc1ccccc1)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000328913130 511949051 /nfs/dbraw/zinc/94/90/51/511949051.db2.gz HVSVXLATGYXWEP-SFHVURJKSA-N 1 2 366.465 2.841 20 30 FFEDLO O=C(Nc1ccccc1)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000328915206 511950310 /nfs/dbraw/zinc/95/03/10/511950310.db2.gz JNDZPRXPKDSBOD-INIZCTEOSA-N 1 2 352.438 2.972 20 30 FFEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC(=O)N[C@H]1CCOc2ccccc21 ZINC000328999581 511964334 /nfs/dbraw/zinc/96/43/34/511964334.db2.gz XCVQQFUDDJSHIS-YDZRNGNQSA-N 1 2 374.481 2.983 20 30 FFEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC(=O)N[C@H]1CCOc2ccccc21 ZINC000328999581 511964342 /nfs/dbraw/zinc/96/43/42/511964342.db2.gz XCVQQFUDDJSHIS-YDZRNGNQSA-N 1 2 374.481 2.983 20 30 FFEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000328997987 511964358 /nfs/dbraw/zinc/96/43/58/511964358.db2.gz FZWCTPQSZHWINC-IXDOHACOSA-N 1 2 358.442 2.704 20 30 FFEDLO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)[C@@H]1CCc2n[nH]nc2C1 ZINC000329029520 511969883 /nfs/dbraw/zinc/96/98/83/511969883.db2.gz KWBJRUPAXIWMCK-AGIUHOORSA-N 1 2 363.462 2.540 20 30 FFEDLO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)[C@@H]1CCc2n[nH]nc2C1 ZINC000329029520 511969884 /nfs/dbraw/zinc/96/98/84/511969884.db2.gz KWBJRUPAXIWMCK-AGIUHOORSA-N 1 2 363.462 2.540 20 30 FFEDLO C[C@H](NC(=O)C1([NH+]2CCOCC2)CCC1)c1cn(-c2ccccc2)nn1 ZINC000329119161 511987352 /nfs/dbraw/zinc/98/73/52/511987352.db2.gz VFPSPZHJTGDALP-HNNXBMFYSA-N 1 2 355.442 2.540 20 30 FFEDLO C[C@H](O)[C@@H]1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000329401101 512038711 /nfs/dbraw/zinc/03/87/11/512038711.db2.gz YABFOMTUDHRCOP-HZSPNIEDSA-N 1 2 352.504 2.623 20 30 FFEDLO C[C@H](O)[C@@H]1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000329401101 512038718 /nfs/dbraw/zinc/03/87/18/512038718.db2.gz YABFOMTUDHRCOP-HZSPNIEDSA-N 1 2 352.504 2.623 20 30 FFEDLO O=C(Nc1ccccc1CN1CCNC1=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329422560 512043656 /nfs/dbraw/zinc/04/36/56/512043656.db2.gz IAFLEZWHRXGVBB-MRXNPFEDSA-N 1 2 368.441 2.912 20 30 FFEDLO Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC000329453146 512050190 /nfs/dbraw/zinc/05/01/90/512050190.db2.gz NNAYGBAFWIZBKM-HZPDHXFCSA-N 1 2 367.453 2.676 20 30 FFEDLO Cn1nnc2ccc(C(=O)N[C@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)cc21 ZINC000329547785 512067800 /nfs/dbraw/zinc/06/78/00/512067800.db2.gz CCARIPQYUSTOPB-ZDUSSCGKSA-N 1 2 352.442 2.782 20 30 FFEDLO Cc1ccccc1[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)[C@H](C)CO1 ZINC000329599765 512075603 /nfs/dbraw/zinc/07/56/03/512075603.db2.gz DQVMSJPMJNHSHI-CLCXKQKWSA-N 1 2 354.454 2.951 20 30 FFEDLO Cc1ccccc1[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)[C@H](C)CO1 ZINC000329599765 512075607 /nfs/dbraw/zinc/07/56/07/512075607.db2.gz DQVMSJPMJNHSHI-CLCXKQKWSA-N 1 2 354.454 2.951 20 30 FFEDLO COc1ccc2c(c1)C1(CC1)CN(C([O-])=[NH+][C@H]1CCc3[nH]c[nH+]c3C1)C2 ZINC000329606964 512076238 /nfs/dbraw/zinc/07/62/38/512076238.db2.gz MRKFIJRDBIZIQP-AWEZNQCLSA-N 1 2 352.438 2.737 20 30 FFEDLO COc1ccc2c(c1)C1(CC1)CN(C([O-])=[NH+][C@H]1CCc3[nH+]c[nH]c3C1)C2 ZINC000329606964 512076243 /nfs/dbraw/zinc/07/62/43/512076243.db2.gz MRKFIJRDBIZIQP-AWEZNQCLSA-N 1 2 352.438 2.737 20 30 FFEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCC(N2CCc3ccccc32)CC1 ZINC000329635792 512080813 /nfs/dbraw/zinc/08/08/13/512080813.db2.gz XVAZAKODUIDUSC-INIZCTEOSA-N 1 2 365.481 2.708 20 30 FFEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCC(N2CCc3ccccc32)CC1 ZINC000329635792 512080814 /nfs/dbraw/zinc/08/08/14/512080814.db2.gz XVAZAKODUIDUSC-INIZCTEOSA-N 1 2 365.481 2.708 20 30 FFEDLO C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329855835 512104474 /nfs/dbraw/zinc/10/44/74/512104474.db2.gz UHQQQBYYZRYNEW-JKSUJKDBSA-N 1 2 373.501 2.525 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CC(=O)N[C@@H](C)C1 ZINC000329894565 512105605 /nfs/dbraw/zinc/10/56/05/512105605.db2.gz BJJRSPGIIKNCBK-HJPIBITLSA-N 1 2 366.437 2.915 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CC(=O)N[C@@H](C)C1 ZINC000329894565 512105607 /nfs/dbraw/zinc/10/56/07/512105607.db2.gz BJJRSPGIIKNCBK-HJPIBITLSA-N 1 2 366.437 2.915 20 30 FFEDLO C[C@@]1(CNC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CCOC1 ZINC000329892657 512105838 /nfs/dbraw/zinc/10/58/38/512105838.db2.gz AJPYQDUVFMGRRF-ZQIUZPCESA-N 1 2 355.479 2.591 20 30 FFEDLO C[C@@]1(CNC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CCOC1 ZINC000329892657 512105839 /nfs/dbraw/zinc/10/58/39/512105839.db2.gz AJPYQDUVFMGRRF-ZQIUZPCESA-N 1 2 355.479 2.591 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)CCC2 ZINC000372132799 512730295 /nfs/dbraw/zinc/73/02/95/512730295.db2.gz YEAFTYFNAOUWEV-GFCCVEGCSA-N 1 2 364.858 2.573 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000368058465 512784350 /nfs/dbraw/zinc/78/43/50/512784350.db2.gz FKFLODPTJPXHNE-OAQYLSRUSA-N 1 2 359.429 2.858 20 30 FFEDLO Cc1noc(C2(C)CC[NH+](CC(=O)Nc3cc(Cl)ccc3C#N)CC2)n1 ZINC000378570430 512828759 /nfs/dbraw/zinc/82/87/59/512828759.db2.gz NVRSRBDOUSVPHO-UHFFFAOYSA-N 1 2 373.844 2.895 20 30 FFEDLO N#Cc1cccc(OCC[N@H+]2CCc3c(sc4ncnc(N)c34)C2)c1 ZINC000372371708 512838831 /nfs/dbraw/zinc/83/88/31/512838831.db2.gz YIQFLOKZZJJABW-UHFFFAOYSA-N 1 2 351.435 2.582 20 30 FFEDLO N#Cc1cccc(OCC[N@@H+]2CCc3c(sc4ncnc(N)c34)C2)c1 ZINC000372371708 512838835 /nfs/dbraw/zinc/83/88/35/512838835.db2.gz YIQFLOKZZJJABW-UHFFFAOYSA-N 1 2 351.435 2.582 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000378618577 512852162 /nfs/dbraw/zinc/85/21/62/512852162.db2.gz CZEWERBETDLLOB-WMLDXEAASA-N 1 2 362.355 2.869 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000378618577 512852163 /nfs/dbraw/zinc/85/21/63/512852163.db2.gz CZEWERBETDLLOB-WMLDXEAASA-N 1 2 362.355 2.869 20 30 FFEDLO C=CCC[C@H](O)C[N@H+]1CCOC[C@@H]1c1c(C)nn(CC(F)(F)F)c1C ZINC000368434805 512948234 /nfs/dbraw/zinc/94/82/34/512948234.db2.gz QGGSWUGEDSWONJ-LSDHHAIUSA-N 1 2 361.408 2.763 20 30 FFEDLO C=CCC[C@H](O)C[N@@H+]1CCOC[C@@H]1c1c(C)nn(CC(F)(F)F)c1C ZINC000368434805 512948239 /nfs/dbraw/zinc/94/82/39/512948239.db2.gz QGGSWUGEDSWONJ-LSDHHAIUSA-N 1 2 361.408 2.763 20 30 FFEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)C3CC[NH+](CC(F)F)CC3)n2)c1 ZINC000376870349 513024549 /nfs/dbraw/zinc/02/45/49/513024549.db2.gz CEFHLJZDYJFENX-UHFFFAOYSA-N 1 2 373.407 2.542 20 30 FFEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000372841012 513069099 /nfs/dbraw/zinc/06/90/99/513069099.db2.gz LWKMAOLZCZLOHA-XYPHTWIQSA-N 1 2 364.877 2.513 20 30 FFEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000372841012 513069102 /nfs/dbraw/zinc/06/91/02/513069102.db2.gz LWKMAOLZCZLOHA-XYPHTWIQSA-N 1 2 364.877 2.513 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)C[C@H](C)C#N ZINC000368846852 513120290 /nfs/dbraw/zinc/12/02/90/513120290.db2.gz UBGOBKJTBXCXQI-CRAIPNDOSA-N 1 2 359.470 2.849 20 30 FFEDLO CC[N@H+](CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)C[C@H](C)C#N ZINC000368846852 513120293 /nfs/dbraw/zinc/12/02/93/513120293.db2.gz UBGOBKJTBXCXQI-CRAIPNDOSA-N 1 2 359.470 2.849 20 30 FFEDLO N#Cc1c(Cl)cccc1N1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000450316109 513139430 /nfs/dbraw/zinc/13/94/30/513139430.db2.gz QNLSUGKDDWHBFK-UHFFFAOYSA-N 1 2 360.889 2.783 20 30 FFEDLO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000439647186 513156653 /nfs/dbraw/zinc/15/66/53/513156653.db2.gz LSRRHLNVAZCCCP-SFHVURJKSA-N 1 2 365.433 2.830 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCc2ncsc2C1 ZINC000446084555 513181481 /nfs/dbraw/zinc/18/14/81/513181481.db2.gz UKLWEKFBJARLMJ-AWEZNQCLSA-N 1 2 370.478 2.845 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCc2ncsc2C1 ZINC000446084555 513181489 /nfs/dbraw/zinc/18/14/89/513181489.db2.gz UKLWEKFBJARLMJ-AWEZNQCLSA-N 1 2 370.478 2.845 20 30 FFEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000429257198 513319107 /nfs/dbraw/zinc/31/91/07/513319107.db2.gz NSBLOEPMSJAPSN-INIZCTEOSA-N 1 2 358.461 2.679 20 30 FFEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000429257198 513319108 /nfs/dbraw/zinc/31/91/08/513319108.db2.gz NSBLOEPMSJAPSN-INIZCTEOSA-N 1 2 358.461 2.679 20 30 FFEDLO C=CCSc1ccccc1NC(=O)CN(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000434700595 513398794 /nfs/dbraw/zinc/39/87/94/513398794.db2.gz ALSDIBZHQXQHSS-INIZCTEOSA-N 1 2 363.527 2.556 20 30 FFEDLO Cc1cc(NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)c(C#N)c[nH+]1 ZINC000425219956 513458254 /nfs/dbraw/zinc/45/82/54/513458254.db2.gz CLAQQZKCQSAHLR-IBGZPJMESA-N 1 2 356.857 2.822 20 30 FFEDLO CCOc1ccc(C[C@@H](CNc2cc(C)[nH+]cc2C#N)C(=O)OC)cc1 ZINC000425222230 513459629 /nfs/dbraw/zinc/45/96/29/513459629.db2.gz IANAVIVFZIRENI-INIZCTEOSA-N 1 2 353.422 2.526 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc(N)ccc3F)CC2)cc1 ZINC000415904006 513470762 /nfs/dbraw/zinc/47/07/62/513470762.db2.gz MDYXPWPKCLPSDX-UHFFFAOYSA-N 1 2 353.401 2.629 20 30 FFEDLO CC(=Cc1c[nH+]c2ccc(Br)cn12)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435336303 513561031 /nfs/dbraw/zinc/56/10/31/513561031.db2.gz OEAOGDSPCLDNCX-UITAMQMPSA-N 1 2 370.210 2.921 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000435440678 513589903 /nfs/dbraw/zinc/58/99/03/513589903.db2.gz YUKKDUOFICELQX-UHFFFAOYSA-N 1 2 364.496 2.697 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1C#N ZINC000447874329 513610828 /nfs/dbraw/zinc/61/08/28/513610828.db2.gz WKZCYZIIOZEQLM-QGZVFWFLSA-N 1 2 358.486 2.733 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@@H](O)C(C)(C)C2)c1C#N ZINC000447874329 513610836 /nfs/dbraw/zinc/61/08/36/513610836.db2.gz WKZCYZIIOZEQLM-QGZVFWFLSA-N 1 2 358.486 2.733 20 30 FFEDLO Cc1cc(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc(C)[nH+]1 ZINC000422198860 513634371 /nfs/dbraw/zinc/63/43/71/513634371.db2.gz CZUHDHKLVHNSHD-HXUWFJFHSA-N 1 2 363.465 2.618 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451273006 513644353 /nfs/dbraw/zinc/64/43/53/513644353.db2.gz WHHQIUIGIQCAFA-FYINFDKHSA-N 1 2 367.424 2.685 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451273006 513644361 /nfs/dbraw/zinc/64/43/61/513644361.db2.gz WHHQIUIGIQCAFA-FYINFDKHSA-N 1 2 367.424 2.685 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416312085 513704368 /nfs/dbraw/zinc/70/43/68/513704368.db2.gz PZOQRGHVTHVJFD-QWHCGFSZSA-N 1 2 357.479 2.609 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416312085 513704374 /nfs/dbraw/zinc/70/43/74/513704374.db2.gz PZOQRGHVTHVJFD-QWHCGFSZSA-N 1 2 357.479 2.609 20 30 FFEDLO CCC[N@H+]([C@H](C)C(=O)OCC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000448511366 513770149 /nfs/dbraw/zinc/77/01/49/513770149.db2.gz TWLPMKXRGXZNCX-CRAIPNDOSA-N 1 2 357.454 2.717 20 30 FFEDLO CCC[N@@H+]([C@H](C)C(=O)OCC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000448511366 513770156 /nfs/dbraw/zinc/77/01/56/513770156.db2.gz TWLPMKXRGXZNCX-CRAIPNDOSA-N 1 2 357.454 2.717 20 30 FFEDLO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)Nc1ccccc1C#N ZINC000431099055 513826380 /nfs/dbraw/zinc/82/63/80/513826380.db2.gz QIIUQTIAJHWBNN-QWRGUYRKSA-N 1 2 374.242 2.789 20 30 FFEDLO CC[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1[nH]cc[nH+]1 ZINC000443117770 513876617 /nfs/dbraw/zinc/87/66/17/513876617.db2.gz NVJOAYWRDGHYDK-INIZCTEOSA-N 1 2 353.426 2.704 20 30 FFEDLO N#Cc1c(F)cccc1C[N@@H+](CCC(N)=O)[C@H]1CCOc2ccccc21 ZINC000451705534 513925005 /nfs/dbraw/zinc/92/50/05/513925005.db2.gz FGOOPRDDTQLKRG-SFHVURJKSA-N 1 2 353.397 2.899 20 30 FFEDLO N#Cc1c(F)cccc1C[N@H+](CCC(N)=O)[C@H]1CCOc2ccccc21 ZINC000451705534 513925009 /nfs/dbraw/zinc/92/50/09/513925009.db2.gz FGOOPRDDTQLKRG-SFHVURJKSA-N 1 2 353.397 2.899 20 30 FFEDLO Cc1[nH]c(C#N)cc1C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000448896233 513957422 /nfs/dbraw/zinc/95/74/22/513957422.db2.gz DWPGBZCXHKYBDW-MRXNPFEDSA-N 1 2 366.465 2.558 20 30 FFEDLO Cc1cc(OC[C@H](O)C[N@H+](C)CCC#N)c(C)c(C)c1Br ZINC000414130757 513983593 /nfs/dbraw/zinc/98/35/93/513983593.db2.gz XYJBQFITEBABCV-CQSZACIVSA-N 1 2 355.276 2.960 20 30 FFEDLO Cc1cc(OC[C@H](O)C[N@@H+](C)CCC#N)c(C)c(C)c1Br ZINC000414130757 513983599 /nfs/dbraw/zinc/98/35/99/513983599.db2.gz XYJBQFITEBABCV-CQSZACIVSA-N 1 2 355.276 2.960 20 30 FFEDLO CCOCCC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000431774056 513996935 /nfs/dbraw/zinc/99/69/35/513996935.db2.gz CZPACHPNPAWNPA-UHFFFAOYSA-N 1 2 355.482 2.799 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451877243 514038832 /nfs/dbraw/zinc/03/88/32/514038832.db2.gz HTOJJLFGMZJUOJ-HUUCEWRRSA-N 1 2 374.451 2.534 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451877243 514038840 /nfs/dbraw/zinc/03/88/40/514038840.db2.gz HTOJJLFGMZJUOJ-HUUCEWRRSA-N 1 2 374.451 2.534 20 30 FFEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451932378 514079106 /nfs/dbraw/zinc/07/91/06/514079106.db2.gz SUWLJSZWGUXJOM-NSHDSACASA-N 1 2 352.847 2.662 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000432058421 514079365 /nfs/dbraw/zinc/07/93/65/514079365.db2.gz XOLPTTSWDLVBGF-UHFFFAOYSA-N 1 2 354.479 2.644 20 30 FFEDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437136921 514097190 /nfs/dbraw/zinc/09/71/90/514097190.db2.gz LDOCQCWRTLWQOI-HNNXBMFYSA-N 1 2 351.397 2.992 20 30 FFEDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437136921 514097196 /nfs/dbraw/zinc/09/71/96/514097196.db2.gz LDOCQCWRTLWQOI-HNNXBMFYSA-N 1 2 351.397 2.992 20 30 FFEDLO N#CCCC[C@H](NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000432229246 514132185 /nfs/dbraw/zinc/13/21/85/514132185.db2.gz PCXTVWQBDROPRX-OALUTQOASA-N 1 2 356.470 2.584 20 30 FFEDLO N#CCCC[C@H](NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000432229246 514132188 /nfs/dbraw/zinc/13/21/88/514132188.db2.gz PCXTVWQBDROPRX-OALUTQOASA-N 1 2 356.470 2.584 20 30 FFEDLO N#Cc1ccc2ncc(C[N@@H+]3C[C@@H](c4ccccc4)[C@@](F)(CO)C3)n2c1 ZINC000449421696 514204011 /nfs/dbraw/zinc/20/40/11/514204011.db2.gz LUSHIJVBGBHDQP-ICSRJNTNSA-N 1 2 350.397 2.506 20 30 FFEDLO N#Cc1ccc2ncc(C[N@H+]3C[C@@H](c4ccccc4)[C@@](F)(CO)C3)n2c1 ZINC000449421696 514204015 /nfs/dbraw/zinc/20/40/15/514204015.db2.gz LUSHIJVBGBHDQP-ICSRJNTNSA-N 1 2 350.397 2.506 20 30 FFEDLO N#Cc1nn(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)c2ccccc12 ZINC000432488580 514207867 /nfs/dbraw/zinc/20/78/67/514207867.db2.gz GEEFHPXTQPPVCI-UHFFFAOYSA-N 1 2 366.450 2.599 20 30 FFEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000417178255 514213442 /nfs/dbraw/zinc/21/34/42/514213442.db2.gz MQGBEBHGMYSLOY-UHFFFAOYSA-N 1 2 350.850 2.638 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000432576126 514230435 /nfs/dbraw/zinc/23/04/35/514230435.db2.gz BMACILYOWPRUNF-UHFFFAOYSA-N 1 2 359.433 2.799 20 30 FFEDLO N#Cc1c(N)n(-c2ccccc2)nc1CCCNc1cc[nH+]c2ccncc12 ZINC000428123104 514402736 /nfs/dbraw/zinc/40/27/36/514402736.db2.gz DYOBJHJFPUDLBR-UHFFFAOYSA-N 1 2 369.432 2.736 20 30 FFEDLO Cn1c2ccc(C[NH+]3CCN([C@H](C#N)c4ccccc4)CC3)cc2oc1=O ZINC000428451764 514477458 /nfs/dbraw/zinc/47/74/58/514477458.db2.gz FQKPDZNGZKLHON-LJQANCHMSA-N 1 2 362.433 2.514 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000450223963 514551994 /nfs/dbraw/zinc/55/19/94/514551994.db2.gz QTGOQGYATUTEJI-UHFFFAOYSA-N 1 2 352.413 2.877 20 30 FFEDLO C=CCOCCC[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000470715143 514584100 /nfs/dbraw/zinc/58/41/00/514584100.db2.gz CCDMKAJAGILUJR-UHFFFAOYSA-N 1 2 374.506 2.739 20 30 FFEDLO N#Cc1cccnc1-n1cc(NCc2[nH+]ccn2Cc2ccccc2)cn1 ZINC000461408377 514601944 /nfs/dbraw/zinc/60/19/44/514601944.db2.gz SBPHFPPGBPJDMI-UHFFFAOYSA-N 1 2 355.405 2.996 20 30 FFEDLO CC(C)N1CC[C@H]([NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1=O ZINC000471013870 514716706 /nfs/dbraw/zinc/71/67/06/514716706.db2.gz YFWRWPMOCNCRAL-ZWKOTPCHSA-N 1 2 360.889 2.532 20 30 FFEDLO C=CCn1c(C)cc(C(=O)CN2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000471063546 514737184 /nfs/dbraw/zinc/73/71/84/514737184.db2.gz RMFSPMFBGGNBPW-GOSISDBHSA-N 1 2 355.486 2.576 20 30 FFEDLO N#CCSCCCN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000466734571 514749422 /nfs/dbraw/zinc/74/94/22/514749422.db2.gz FHYUWDDWVPAJAO-UHFFFAOYSA-N 1 2 353.919 2.983 20 30 FFEDLO C[C@@H](C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1)c1cccc(C#N)c1 ZINC000461911352 514782012 /nfs/dbraw/zinc/78/20/12/514782012.db2.gz RCYNDSODSQHDDX-HZPDHXFCSA-N 1 2 364.449 2.598 20 30 FFEDLO N#Cc1cccc(CCNC(=O)Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC000466814197 514789539 /nfs/dbraw/zinc/78/95/39/514789539.db2.gz HJYJLGPVBHBPDC-UHFFFAOYSA-N 1 2 364.449 2.755 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000502828370 514795934 /nfs/dbraw/zinc/79/59/34/514795934.db2.gz QEBXAPHGWWFIGH-IBGZPJMESA-N 1 2 367.453 2.892 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000502828370 514795942 /nfs/dbraw/zinc/79/59/42/514795942.db2.gz QEBXAPHGWWFIGH-IBGZPJMESA-N 1 2 367.453 2.892 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)Nc3cccc(CC#N)c3)c[nH+]2)CCO1 ZINC000455914512 514830290 /nfs/dbraw/zinc/83/02/90/514830290.db2.gz GNKKBINXACLTGN-HNNXBMFYSA-N 1 2 365.437 2.694 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000480294071 514911189 /nfs/dbraw/zinc/91/11/89/514911189.db2.gz NOUIKLVUOOEZRS-KRWDZBQOSA-N 1 2 369.425 2.590 20 30 FFEDLO CN(CC(C)(C)C#N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000458605133 514947283 /nfs/dbraw/zinc/94/72/83/514947283.db2.gz DQAGOJTVXDIURX-HZPDHXFCSA-N 1 2 350.413 2.901 20 30 FFEDLO CN(CC(C)(C)C#N)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000458605133 514947295 /nfs/dbraw/zinc/94/72/95/514947295.db2.gz DQAGOJTVXDIURX-HZPDHXFCSA-N 1 2 350.413 2.901 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1C#N ZINC000509050633 515001800 /nfs/dbraw/zinc/00/18/00/515001800.db2.gz WOLSMJXWGABZAU-UGSOOPFHSA-N 1 2 358.486 2.733 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@H](O)[C@@H](C)C2)c1C#N ZINC000509050633 515001810 /nfs/dbraw/zinc/00/18/10/515001810.db2.gz WOLSMJXWGABZAU-UGSOOPFHSA-N 1 2 358.486 2.733 20 30 FFEDLO CC#CCN(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000458672650 515005315 /nfs/dbraw/zinc/00/53/15/515005315.db2.gz YRLMUZSDBYQFSD-DOTOQJQBSA-N 1 2 353.388 2.904 20 30 FFEDLO CC#CCN(C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000458672650 515005326 /nfs/dbraw/zinc/00/53/26/515005326.db2.gz YRLMUZSDBYQFSD-DOTOQJQBSA-N 1 2 353.388 2.904 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1SC ZINC000471806905 515016683 /nfs/dbraw/zinc/01/66/83/515016683.db2.gz ZWWMLJKCISYZCC-UHFFFAOYSA-N 1 2 371.510 2.653 20 30 FFEDLO CC[N@H+](CC(=O)NC[C@@H]1CCCN(CC#N)C1)Cc1ccccc1Cl ZINC000498925811 515124419 /nfs/dbraw/zinc/12/44/19/515124419.db2.gz CTJAPZCOOPUNBK-INIZCTEOSA-N 1 2 362.905 2.514 20 30 FFEDLO CC[N@@H+](CC(=O)NC[C@@H]1CCCN(CC#N)C1)Cc1ccccc1Cl ZINC000498925811 515124431 /nfs/dbraw/zinc/12/44/31/515124431.db2.gz CTJAPZCOOPUNBK-INIZCTEOSA-N 1 2 362.905 2.514 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000498945560 515137775 /nfs/dbraw/zinc/13/77/75/515137775.db2.gz JLFXWIJTMREASC-UHFFFAOYSA-N 1 2 372.432 2.858 20 30 FFEDLO C=C(CC)CNC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000454058200 515175709 /nfs/dbraw/zinc/17/57/09/515175709.db2.gz ZFGTZUZXUMGOBL-UHFFFAOYSA-N 1 2 352.438 2.907 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000481430494 515326145 /nfs/dbraw/zinc/32/61/45/515326145.db2.gz BNGIAUWJNNWOIF-QMIHWGKISA-N 1 2 371.460 2.681 20 30 FFEDLO Cc1[nH+]c2cc(NC(=O)CNc3cccc(C#N)c3)ccc2n1[C@H](C)CO ZINC000456713237 515376432 /nfs/dbraw/zinc/37/64/32/515376432.db2.gz NEAZVPNPZYGNAS-CYBMUJFWSA-N 1 2 363.421 2.820 20 30 FFEDLO C=CCC1(CNC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCCC1 ZINC000454309671 515388615 /nfs/dbraw/zinc/38/86/15/515388615.db2.gz BUPYTYOVSBEOAE-UHFFFAOYSA-N 1 2 358.486 2.854 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000456761921 515410183 /nfs/dbraw/zinc/41/01/83/515410183.db2.gz ZGMBJTARJSVOAH-OAHLLOKOSA-N 1 2 353.466 2.670 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000456761921 515410191 /nfs/dbraw/zinc/41/01/91/515410191.db2.gz ZGMBJTARJSVOAH-OAHLLOKOSA-N 1 2 353.466 2.670 20 30 FFEDLO N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000499734535 515433851 /nfs/dbraw/zinc/43/38/51/515433851.db2.gz QPQAHNZYUKTPKX-UHFFFAOYSA-N 1 2 371.444 2.906 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](C)c2cccc3ccccc32)C1=O ZINC000499989985 515548015 /nfs/dbraw/zinc/54/80/15/515548015.db2.gz NLWHCYQRTJSWQU-OXJNMPFZSA-N 1 2 365.477 2.736 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](C)c2cccc3ccccc32)C1=O ZINC000499989985 515548025 /nfs/dbraw/zinc/54/80/25/515548025.db2.gz NLWHCYQRTJSWQU-OXJNMPFZSA-N 1 2 365.477 2.736 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000505593593 515600025 /nfs/dbraw/zinc/60/00/25/515600025.db2.gz LUCHFLLVNYRFCT-KRWDZBQOSA-N 1 2 364.449 2.534 20 30 FFEDLO C[N@H+](CCn1cc(Br)cn1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459535085 515629554 /nfs/dbraw/zinc/62/95/54/515629554.db2.gz PPQWNDBIAFEYQW-UHFFFAOYSA-N 1 2 364.203 2.557 20 30 FFEDLO C[N@@H+](CCn1cc(Br)cn1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459535085 515629565 /nfs/dbraw/zinc/62/95/65/515629565.db2.gz PPQWNDBIAFEYQW-UHFFFAOYSA-N 1 2 364.203 2.557 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(Cl)cc1 ZINC000505815696 515682061 /nfs/dbraw/zinc/68/20/61/515682061.db2.gz PESKOHDDDUNMTN-RTBURBONSA-N 1 2 369.852 2.922 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(Cl)cc1 ZINC000505815696 515682072 /nfs/dbraw/zinc/68/20/72/515682072.db2.gz PESKOHDDDUNMTN-RTBURBONSA-N 1 2 369.852 2.922 20 30 FFEDLO CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000510889736 515704150 /nfs/dbraw/zinc/70/41/50/515704150.db2.gz YRIHPPDHFGCLGM-AWEZNQCLSA-N 1 2 361.417 2.906 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)CCC2 ZINC000487111814 515764041 /nfs/dbraw/zinc/76/40/41/515764041.db2.gz SWWBDAVIDVAHPB-NSHDSACASA-N 1 2 363.343 2.784 20 30 FFEDLO COc1cc(Cl)ccc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000482723511 515784147 /nfs/dbraw/zinc/78/41/47/515784147.db2.gz XZIFBKIODJZOIJ-ZDUSSCGKSA-N 1 2 357.845 2.721 20 30 FFEDLO COc1cc(Cl)ccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000482723511 515784152 /nfs/dbraw/zinc/78/41/52/515784152.db2.gz XZIFBKIODJZOIJ-ZDUSSCGKSA-N 1 2 357.845 2.721 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000506248092 515827636 /nfs/dbraw/zinc/82/76/36/515827636.db2.gz MZTZWJQDDHMYOA-UHFFFAOYSA-N 1 2 362.462 2.794 20 30 FFEDLO Cn1cc(CNc2[nH+]c3ccccc3n2CCc2ccccn2)cc1C#N ZINC000478563901 515873439 /nfs/dbraw/zinc/87/34/39/515873439.db2.gz RERWXIRAVDHWEF-UHFFFAOYSA-N 1 2 356.433 2.918 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000469606639 515888427 /nfs/dbraw/zinc/88/84/27/515888427.db2.gz IGVPFDKEBOJZGH-HZPDHXFCSA-N 1 2 374.916 2.970 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)ncc1C#N ZINC000457571957 515982464 /nfs/dbraw/zinc/98/24/64/515982464.db2.gz ZCIUFULDGCDMRO-OAHLLOKOSA-N 1 2 370.403 2.934 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)ncc1C#N ZINC000457571957 515982469 /nfs/dbraw/zinc/98/24/69/515982469.db2.gz ZCIUFULDGCDMRO-OAHLLOKOSA-N 1 2 370.403 2.934 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)o2)c1 ZINC000511669883 515992964 /nfs/dbraw/zinc/99/29/64/515992964.db2.gz YQQRWEPXTKLKEI-ZIAGYGMSSA-N 1 2 366.343 2.601 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)o2)c1 ZINC000511669883 515992973 /nfs/dbraw/zinc/99/29/73/515992973.db2.gz YQQRWEPXTKLKEI-ZIAGYGMSSA-N 1 2 366.343 2.601 20 30 FFEDLO N#CC1(NC(=O)C2C[C@H]3CC[C@@H](C2)C3=O)CC[NH+](Cc2ccccc2)CC1 ZINC000479303025 516142669 /nfs/dbraw/zinc/14/26/69/516142669.db2.gz AANNSALCBIUHRV-DFNIBXOVSA-N 1 2 365.477 2.666 20 30 FFEDLO Cc1cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)nn1-c1cccc(C#N)c1 ZINC000507299284 516162233 /nfs/dbraw/zinc/16/22/33/516162233.db2.gz GNAAZVUEIZVKEE-MGPUTAFESA-N 1 2 374.448 2.972 20 30 FFEDLO Cc1nc(C2([NH2+]CC(=O)NCc3cccc(C#N)c3)CCCCCC2)no1 ZINC000507659153 516276161 /nfs/dbraw/zinc/27/61/61/516276161.db2.gz QPAFKYUTQZUOOR-UHFFFAOYSA-N 1 2 367.453 2.705 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000502189153 516317527 /nfs/dbraw/zinc/31/75/27/516317527.db2.gz XAKBLSHDLPXKFW-GOSISDBHSA-N 1 2 363.546 2.914 20 30 FFEDLO CC(=O)c1oc2cc(C)ccc2c1CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000554329128 516391099 /nfs/dbraw/zinc/39/10/99/516391099.db2.gz SQLUBODEIYNGPB-UHFFFAOYSA-N 1 2 353.422 2.591 20 30 FFEDLO CCC[C@H](C#N)NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000543747838 516407288 /nfs/dbraw/zinc/40/72/88/516407288.db2.gz OCRCAKANCYTOLK-MRXNPFEDSA-N 1 2 352.438 2.965 20 30 FFEDLO Cc1cc([C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3C#N)CCO2)ccc1F ZINC000528435244 516433226 /nfs/dbraw/zinc/43/32/26/516433226.db2.gz ZQIGSYWWDPKDQN-NQIIRXRSSA-N 1 2 370.424 2.819 20 30 FFEDLO Cc1cc([C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3C#N)CCO2)ccc1F ZINC000528435244 516433237 /nfs/dbraw/zinc/43/32/37/516433237.db2.gz ZQIGSYWWDPKDQN-NQIIRXRSSA-N 1 2 370.424 2.819 20 30 FFEDLO CCc1ccc([C@H]2C[N@H+](C[C@@H](O)COc3ccccc3C#N)CCO2)cc1 ZINC000528473882 516463586 /nfs/dbraw/zinc/46/35/86/516463586.db2.gz JEZYULPVHDHVHB-IFMALSPDSA-N 1 2 366.461 2.934 20 30 FFEDLO CCc1ccc([C@H]2C[N@@H+](C[C@@H](O)COc3ccccc3C#N)CCO2)cc1 ZINC000528473882 516463597 /nfs/dbraw/zinc/46/35/97/516463597.db2.gz JEZYULPVHDHVHB-IFMALSPDSA-N 1 2 366.461 2.934 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](C)C[C@@H]2COc3ccccc3O2)c1C#N ZINC000535978806 516576907 /nfs/dbraw/zinc/57/69/07/516576907.db2.gz PWFGHLDPEYUZOF-OAHLLOKOSA-N 1 2 352.390 2.617 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)c1C#N ZINC000535978806 516576916 /nfs/dbraw/zinc/57/69/16/516576916.db2.gz PWFGHLDPEYUZOF-OAHLLOKOSA-N 1 2 352.390 2.617 20 30 FFEDLO Cc1ccc2[nH+]c(CSCC(=O)Nc3cc(CC#N)ccn3)cn2c1 ZINC000531670568 516589265 /nfs/dbraw/zinc/58/92/65/516589265.db2.gz WPJMWNXSEYHDIN-UHFFFAOYSA-N 1 2 351.435 2.976 20 30 FFEDLO N#Cc1cnc(NCc2cccc(OCC[NH+]3CCOCC3)c2)c(Cl)c1 ZINC000513654928 516707348 /nfs/dbraw/zinc/70/73/48/516707348.db2.gz YHYDCIFZPLBKHJ-UHFFFAOYSA-N 1 2 372.856 2.930 20 30 FFEDLO N#Cc1ccc(CNc2ccc(N3CCN(C(=O)C4CC4)CC3)[nH+]c2)s1 ZINC000540792741 516714618 /nfs/dbraw/zinc/71/46/18/516714618.db2.gz GSCBYSDSBOOKOW-UHFFFAOYSA-N 1 2 367.478 2.685 20 30 FFEDLO Cc1noc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)n1 ZINC000544476455 516777239 /nfs/dbraw/zinc/77/72/39/516777239.db2.gz BEXKLKBFQFVHQZ-GJZGRUSLSA-N 1 2 355.442 2.981 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000532101632 516801429 /nfs/dbraw/zinc/80/14/29/516801429.db2.gz KMJRSEKYLCWLKL-HNNXBMFYSA-N 1 2 362.905 2.779 20 30 FFEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000514008626 516830493 /nfs/dbraw/zinc/83/04/93/516830493.db2.gz NVJWZSALSMRHDA-IXDOHACOSA-N 1 2 372.488 2.997 20 30 FFEDLO COC(=O)[C@@H](NCc1c[nH+]c2ccc(C#N)cn12)c1ccc(F)c(C)c1 ZINC000551802723 516878882 /nfs/dbraw/zinc/87/88/82/516878882.db2.gz OZLGTVZDDJTUNK-SFHVURJKSA-N 1 2 352.369 2.657 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000514169205 516887563 /nfs/dbraw/zinc/88/75/63/516887563.db2.gz GCYXRLGPZXTERD-IRXDYDNUSA-N 1 2 364.449 2.626 20 30 FFEDLO CCc1ccccc1O[C@H](C)C(=O)N1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000555364832 516900927 /nfs/dbraw/zinc/90/09/27/516900927.db2.gz YONCULFACCNUPW-AOIWGVFYSA-N 1 2 355.482 2.853 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3ccn(-c4ccc(F)cc4)n3)CC2)n1 ZINC000544876632 516971332 /nfs/dbraw/zinc/97/13/32/516971332.db2.gz BOIGBAHNBSHILX-UHFFFAOYSA-N 1 2 362.412 2.600 20 30 FFEDLO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000537101415 517036939 /nfs/dbraw/zinc/03/69/39/517036939.db2.gz MAFZQGKYXJXNBD-CYBMUJFWSA-N 1 2 361.442 2.798 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)cc3)C2)nc1 ZINC000562362754 517054620 /nfs/dbraw/zinc/05/46/20/517054620.db2.gz LXTYMIFQBMCOOP-INIZCTEOSA-N 1 2 356.813 2.698 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)cc3)C2)nc1 ZINC000562362754 517054632 /nfs/dbraw/zinc/05/46/32/517054632.db2.gz LXTYMIFQBMCOOP-INIZCTEOSA-N 1 2 356.813 2.698 20 30 FFEDLO C[C@@](O)(C1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1)C(F)(F)F ZINC000545244496 517126697 /nfs/dbraw/zinc/12/66/97/517126697.db2.gz NFLMRFYTDFKWSR-MRXNPFEDSA-N 1 2 352.360 2.731 20 30 FFEDLO CC1(C)C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@](C)(C(F)(F)F)O1 ZINC000559320659 517178218 /nfs/dbraw/zinc/17/82/18/517178218.db2.gz LWKCWNAWMJXLIU-PBHICJAKSA-N 1 2 372.387 2.730 20 30 FFEDLO CC1(C)C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@](C)(C(F)(F)F)O1 ZINC000559320659 517178224 /nfs/dbraw/zinc/17/82/24/517178224.db2.gz LWKCWNAWMJXLIU-PBHICJAKSA-N 1 2 372.387 2.730 20 30 FFEDLO CC1(C)C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@](C)(C(F)(F)F)O1 ZINC000559320664 517178663 /nfs/dbraw/zinc/17/86/63/517178663.db2.gz LWKCWNAWMJXLIU-WMLDXEAASA-N 1 2 372.387 2.730 20 30 FFEDLO CC1(C)C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@](C)(C(F)(F)F)O1 ZINC000559320664 517178672 /nfs/dbraw/zinc/17/86/72/517178672.db2.gz LWKCWNAWMJXLIU-WMLDXEAASA-N 1 2 372.387 2.730 20 30 FFEDLO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000548753727 517191712 /nfs/dbraw/zinc/19/17/12/517191712.db2.gz APBAWZRIJLLBHH-OAGGEKHMSA-N 1 2 370.497 2.839 20 30 FFEDLO C=CC[C@@H](CO)CNC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000545427860 517233727 /nfs/dbraw/zinc/23/37/27/517233727.db2.gz PATWRAKFAJXSRV-OAHLLOKOSA-N 1 2 353.466 2.527 20 30 FFEDLO C=CC[C@@H](CO)CNC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000545427860 517233732 /nfs/dbraw/zinc/23/37/32/517233732.db2.gz PATWRAKFAJXSRV-OAHLLOKOSA-N 1 2 353.466 2.527 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@]3(C#N)CC34CCCC4)c[nH+]2)C[C@@H](C)O1 ZINC000562632697 517255216 /nfs/dbraw/zinc/25/52/16/517255216.db2.gz KICNVIKRBHXJPM-WHSLLNHNSA-N 1 2 368.481 2.785 20 30 FFEDLO C=CC[N@H+](Cc1nc(C2CC2)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520196025 517297667 /nfs/dbraw/zinc/29/76/67/517297667.db2.gz VCAWYIYGCNMFAJ-CYBMUJFWSA-N 1 2 351.414 2.672 20 30 FFEDLO C=CC[N@@H+](Cc1nc(C2CC2)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520196025 517297673 /nfs/dbraw/zinc/29/76/73/517297673.db2.gz VCAWYIYGCNMFAJ-CYBMUJFWSA-N 1 2 351.414 2.672 20 30 FFEDLO Cc1cc(C#N)cnc1C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000559540184 517307949 /nfs/dbraw/zinc/30/79/49/517307949.db2.gz BUQCEOPXABZQQN-HNNXBMFYSA-N 1 2 352.413 2.920 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC(CC#N)CC1)c1ccccc1F ZINC000541964443 517312690 /nfs/dbraw/zinc/31/26/90/517312690.db2.gz IANQBFSMBBRIAC-QGZVFWFLSA-N 1 2 355.417 2.984 20 30 FFEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000538075169 517456874 /nfs/dbraw/zinc/45/68/74/517456874.db2.gz DRISUVPUVSADDH-UHFFFAOYSA-N 1 2 362.433 2.839 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CCCC[C@H]1C(=O)OCC)Cc1ccccc1F ZINC000515770786 517469550 /nfs/dbraw/zinc/46/95/50/517469550.db2.gz XRSZUIVKVFNLRW-SFHVURJKSA-N 1 2 362.445 2.758 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CCCC[C@H]1C(=O)OCC)Cc1ccccc1F ZINC000515770786 517469562 /nfs/dbraw/zinc/46/95/62/517469562.db2.gz XRSZUIVKVFNLRW-SFHVURJKSA-N 1 2 362.445 2.758 20 30 FFEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)c2cc(C#N)ccn2)CC1 ZINC000553033455 517491404 /nfs/dbraw/zinc/49/14/04/517491404.db2.gz JRMMMPMCGJKTAD-UHFFFAOYSA-N 1 2 354.841 2.873 20 30 FFEDLO C=C(C)Cn1c(CCCC)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000549291108 517497105 /nfs/dbraw/zinc/49/71/05/517497105.db2.gz HAHJFHQBAWCWJG-UHFFFAOYSA-N 1 2 354.502 2.914 20 30 FFEDLO CC(C)N(CCC#N)C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000527104815 517503605 /nfs/dbraw/zinc/50/36/05/517503605.db2.gz JJEGKSZBWKZYCP-UHFFFAOYSA-N 1 2 352.394 2.963 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000527165363 517535632 /nfs/dbraw/zinc/53/56/32/517535632.db2.gz YWTDSYBPJWTTSW-IBGZPJMESA-N 1 2 364.474 2.646 20 30 FFEDLO COCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cccs1 ZINC000533607817 517546535 /nfs/dbraw/zinc/54/65/35/517546535.db2.gz RIGOKQLXHBFRJK-UHFFFAOYSA-N 1 2 364.492 2.542 20 30 FFEDLO COCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cccs1 ZINC000533607817 517546538 /nfs/dbraw/zinc/54/65/38/517546538.db2.gz RIGOKQLXHBFRJK-UHFFFAOYSA-N 1 2 364.492 2.542 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(F)c(C#N)c3)c[nH+]2)C[C@@H](C)O1 ZINC000560065663 517560333 /nfs/dbraw/zinc/56/03/33/517560333.db2.gz WMBGRWLYBHNHII-ZIAGYGMSSA-N 1 2 368.412 2.636 20 30 FFEDLO COc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1 ZINC000527299751 517623733 /nfs/dbraw/zinc/62/37/33/517623733.db2.gz QCJCZSHILZIBNG-OAHLLOKOSA-N 1 2 369.465 2.541 20 30 FFEDLO Cc1nc(NCc2cccc(C(=O)NCC#Cc3ccccc3)c2)cc[nH+]1 ZINC000542570972 517633217 /nfs/dbraw/zinc/63/32/17/517633217.db2.gz XRMYNURPIKSERY-UHFFFAOYSA-N 1 2 356.429 2.601 20 30 FFEDLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)CC(=O)NC1(C#N)CCC1 ZINC000527385134 517671782 /nfs/dbraw/zinc/67/17/82/517671782.db2.gz UZLDQPQXNDGOQI-UHFFFAOYSA-N 1 2 362.861 2.553 20 30 FFEDLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)CC(=O)NC1(C#N)CCC1 ZINC000527385134 517671794 /nfs/dbraw/zinc/67/17/94/517671794.db2.gz UZLDQPQXNDGOQI-UHFFFAOYSA-N 1 2 362.861 2.553 20 30 FFEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000560310109 517689471 /nfs/dbraw/zinc/68/94/71/517689471.db2.gz ZTDMJXVMKMKSKV-SFHVURJKSA-N 1 2 373.416 2.776 20 30 FFEDLO C[C@@H](Sc1ccc(C#N)cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000549987196 517816029 /nfs/dbraw/zinc/81/60/29/517816029.db2.gz IFHZYPYPRQIOSU-OAHLLOKOSA-N 1 2 352.463 2.783 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc4c(n3)CCC4)CC2)cc1 ZINC000516723908 517822496 /nfs/dbraw/zinc/82/24/96/517822496.db2.gz GXEOPMSJUZLRQZ-UHFFFAOYSA-N 1 2 361.449 2.792 20 30 FFEDLO COc1ccc(Cl)cc1C[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000521820679 517859751 /nfs/dbraw/zinc/85/97/51/517859751.db2.gz QUHYWNPHRBYQLW-UHFFFAOYSA-N 1 2 357.841 2.968 20 30 FFEDLO COc1ccc(Cl)cc1C[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000521820679 517859758 /nfs/dbraw/zinc/85/97/58/517859758.db2.gz QUHYWNPHRBYQLW-UHFFFAOYSA-N 1 2 357.841 2.968 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000550232528 517939913 /nfs/dbraw/zinc/93/99/13/517939913.db2.gz MIUHELWPFXUIKX-PBHICJAKSA-N 1 2 372.444 2.626 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000550394634 518028704 /nfs/dbraw/zinc/02/87/04/518028704.db2.gz ZDFXGIHJCOWPKG-ROUUACIJSA-N 1 2 355.825 2.891 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000550394634 518028710 /nfs/dbraw/zinc/02/87/10/518028710.db2.gz ZDFXGIHJCOWPKG-ROUUACIJSA-N 1 2 355.825 2.891 20 30 FFEDLO O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000522204781 518030584 /nfs/dbraw/zinc/03/05/84/518030584.db2.gz JZZWYYWHKOOHEH-UHFFFAOYSA-N 1 2 370.456 2.768 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000550517025 518094599 /nfs/dbraw/zinc/09/45/99/518094599.db2.gz WYDFULYYAGNYJO-QGZVFWFLSA-N 1 2 372.513 2.939 20 30 FFEDLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1c1cccc(F)c1 ZINC000566821581 518216825 /nfs/dbraw/zinc/21/68/25/518216825.db2.gz SJIVBVCRQMRTOV-KUHUBIRLSA-N 1 2 373.453 2.949 20 30 FFEDLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1c1cccc(F)c1 ZINC000566821581 518216830 /nfs/dbraw/zinc/21/68/30/518216830.db2.gz SJIVBVCRQMRTOV-KUHUBIRLSA-N 1 2 373.453 2.949 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000584240982 518244712 /nfs/dbraw/zinc/24/47/12/518244712.db2.gz YOCCMDKABQAZQL-SFHVURJKSA-N 1 2 352.434 2.609 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000584240982 518244716 /nfs/dbraw/zinc/24/47/16/518244716.db2.gz YOCCMDKABQAZQL-SFHVURJKSA-N 1 2 352.434 2.609 20 30 FFEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000564025644 518273031 /nfs/dbraw/zinc/27/30/31/518273031.db2.gz SPNNCTMYILXJKT-AWEZNQCLSA-N 1 2 370.432 2.658 20 30 FFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000564025644 518273038 /nfs/dbraw/zinc/27/30/38/518273038.db2.gz SPNNCTMYILXJKT-AWEZNQCLSA-N 1 2 370.432 2.658 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000569768393 518279284 /nfs/dbraw/zinc/27/92/84/518279284.db2.gz DCFOJGRBHPUDHE-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO CCc1ccc([C@H](C#N)NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000564218260 518355833 /nfs/dbraw/zinc/35/58/33/518355833.db2.gz CWEABENFKDMLBF-LEWJYISDSA-N 1 2 363.461 2.831 20 30 FFEDLO CCc1ccc([C@H](C#N)NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000564218260 518355839 /nfs/dbraw/zinc/35/58/39/518355839.db2.gz CWEABENFKDMLBF-LEWJYISDSA-N 1 2 363.461 2.831 20 30 FFEDLO N#CCCn1cc(C[N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)c(-c2ccccc2)n1 ZINC000578773753 518367580 /nfs/dbraw/zinc/36/75/80/518367580.db2.gz CQHWWJBGPGTRKE-LJQANCHMSA-N 1 2 364.449 2.644 20 30 FFEDLO N#CCCn1cc(C[N@H+]2CCO[C@@H](C(=O)C3CC3)C2)c(-c2ccccc2)n1 ZINC000578773753 518367584 /nfs/dbraw/zinc/36/75/84/518367584.db2.gz CQHWWJBGPGTRKE-LJQANCHMSA-N 1 2 364.449 2.644 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000570040670 518412490 /nfs/dbraw/zinc/41/24/90/518412490.db2.gz GPSQBXRGFCKRJL-CALCHBBNSA-N 1 2 358.344 2.869 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000570040670 518412496 /nfs/dbraw/zinc/41/24/96/518412496.db2.gz GPSQBXRGFCKRJL-CALCHBBNSA-N 1 2 358.344 2.869 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](C/C=C\c3ccc(F)c(F)c3)CC2)c1C#N ZINC000584681780 518427411 /nfs/dbraw/zinc/42/74/11/518427411.db2.gz UDXOZQZRLFJGBV-ARJAWSKDSA-N 1 2 357.408 2.714 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000584722307 518448227 /nfs/dbraw/zinc/44/82/27/518448227.db2.gz JXGNOUZRAPQHPY-HXUWFJFHSA-N 1 2 361.405 2.849 20 30 FFEDLO Cc1ccc2[nH+]c(CNC(=O)c3cnc(C(F)(F)F)c(C#N)c3)cn2c1 ZINC000570179835 518481002 /nfs/dbraw/zinc/48/10/02/518481002.db2.gz WZGZZADSQNZSOW-UHFFFAOYSA-N 1 2 359.311 2.858 20 30 FFEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)c(C)c1 ZINC000573156934 518530570 /nfs/dbraw/zinc/53/05/70/518530570.db2.gz KCZSPCAOMQDCNW-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000564734537 518589141 /nfs/dbraw/zinc/58/91/41/518589141.db2.gz FSEWYUPCCYKJRJ-ZYHUDNBSSA-N 1 2 371.222 2.900 20 30 FFEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C/C=C\c2ccc(Cl)cc2)c1=O ZINC000579376926 518652777 /nfs/dbraw/zinc/65/27/77/518652777.db2.gz GHGFOGDXKXIEEK-UPHRSURJSA-N 1 2 369.852 2.919 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)NCc2cn3ccc(C)cc3[nH+]2)CCCC1(C)C ZINC000579504136 518711693 /nfs/dbraw/zinc/71/16/93/518711693.db2.gz FJZGQLGMEMELKI-KRWDZBQOSA-N 1 2 368.481 2.852 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(COc2cccc(F)c2)c1 ZINC000565052464 518762467 /nfs/dbraw/zinc/76/24/67/518762467.db2.gz YVVKWTNAAQPNAI-HXUWFJFHSA-N 1 2 355.413 2.978 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)n(C)c1C ZINC000579622695 518770024 /nfs/dbraw/zinc/77/00/24/518770024.db2.gz ZNUWUNBPFFNKOE-HXUWFJFHSA-N 1 2 366.465 2.503 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000567896495 518774275 /nfs/dbraw/zinc/77/42/75/518774275.db2.gz UNJRSEMKJLOPKM-ACJLOTCBSA-N 1 2 351.385 2.702 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000567896495 518774277 /nfs/dbraw/zinc/77/42/77/518774277.db2.gz UNJRSEMKJLOPKM-ACJLOTCBSA-N 1 2 351.385 2.702 20 30 FFEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nc(-c2ccc(Cl)cc2)n1 ZINC000573687654 518788083 /nfs/dbraw/zinc/78/80/83/518788083.db2.gz BUKQZBYBDLCSNI-GOSISDBHSA-N 1 2 357.845 2.679 20 30 FFEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nccs1 ZINC000582514564 518790012 /nfs/dbraw/zinc/79/00/12/518790012.db2.gz LZEPWXODQZFCEA-QGZVFWFLSA-N 1 2 369.494 2.993 20 30 FFEDLO CC(C)c1nnc(NC(=O)C[N@H+](C)CCOCc2ccc(C#N)cc2)s1 ZINC000570848754 518810552 /nfs/dbraw/zinc/81/05/52/518810552.db2.gz FXGJDMMSGYKDBP-UHFFFAOYSA-N 1 2 373.482 2.620 20 30 FFEDLO CC(C)c1nnc(NC(=O)C[N@@H+](C)CCOCc2ccc(C#N)cc2)s1 ZINC000570848754 518810554 /nfs/dbraw/zinc/81/05/54/518810554.db2.gz FXGJDMMSGYKDBP-UHFFFAOYSA-N 1 2 373.482 2.620 20 30 FFEDLO N#Cc1ccccc1OCC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000588845583 518847895 /nfs/dbraw/zinc/84/78/95/518847895.db2.gz LDCIYFUBXQLBLP-UHFFFAOYSA-N 1 2 370.478 2.558 20 30 FFEDLO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1sccc1C#N ZINC000588979039 518886999 /nfs/dbraw/zinc/88/69/99/518886999.db2.gz VQCRQRJRWBXKAC-UHFFFAOYSA-N 1 2 354.435 2.579 20 30 FFEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1sccc1C#N ZINC000588979039 518887005 /nfs/dbraw/zinc/88/70/05/518887005.db2.gz VQCRQRJRWBXKAC-UHFFFAOYSA-N 1 2 354.435 2.579 20 30 FFEDLO N#Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000589263507 518968639 /nfs/dbraw/zinc/96/86/39/518968639.db2.gz LETGTPVIBCXLGD-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO N#Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000589263507 518968643 /nfs/dbraw/zinc/96/86/43/518968643.db2.gz LETGTPVIBCXLGD-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO Cc1cnn([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)c1 ZINC000589309582 518978081 /nfs/dbraw/zinc/97/80/81/518978081.db2.gz VTSHTVGSHCQLKG-UONOGXRCSA-N 1 2 369.494 2.887 20 30 FFEDLO Cc1cnn([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)c1 ZINC000589309582 518978084 /nfs/dbraw/zinc/97/80/84/518978084.db2.gz VTSHTVGSHCQLKG-UONOGXRCSA-N 1 2 369.494 2.887 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C#N)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000589485399 519014639 /nfs/dbraw/zinc/01/46/39/519014639.db2.gz CCQQOTGTPJVKQE-QAPCUYQASA-N 1 2 374.366 2.936 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C#N)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000589485399 519014646 /nfs/dbraw/zinc/01/46/46/519014646.db2.gz CCQQOTGTPJVKQE-QAPCUYQASA-N 1 2 374.366 2.936 20 30 FFEDLO N#Cc1csc(CN2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)n1 ZINC000589497933 519018020 /nfs/dbraw/zinc/01/80/20/519018020.db2.gz JKJFDFRGBMVUIE-INIZCTEOSA-N 1 2 362.886 2.519 20 30 FFEDLO Cc1ccnc([C@H]2CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)c1 ZINC000571414318 519085762 /nfs/dbraw/zinc/08/57/62/519085762.db2.gz LMFGVUBFBQHSKV-KRWDZBQOSA-N 1 2 355.463 2.525 20 30 FFEDLO Cc1ccnc([C@H]2CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)c1 ZINC000571414318 519085767 /nfs/dbraw/zinc/08/57/67/519085767.db2.gz LMFGVUBFBQHSKV-KRWDZBQOSA-N 1 2 355.463 2.525 20 30 FFEDLO COc1cccc([C@@H](NC(=O)c2ncc(C#N)cc2C)c2[nH+]ccn2C)c1 ZINC000590139011 519160230 /nfs/dbraw/zinc/16/02/30/519160230.db2.gz TVRJOWJATXVVOX-GOSISDBHSA-N 1 2 361.405 2.523 20 30 FFEDLO C[C@@H](Sc1ccc(C#N)cc1F)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000565865501 519169407 /nfs/dbraw/zinc/16/94/07/519169407.db2.gz AYFPHOXEQAPHTG-CQSZACIVSA-N 1 2 370.453 2.922 20 30 FFEDLO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000580453391 519184480 /nfs/dbraw/zinc/18/44/80/519184480.db2.gz XQHJXJKYHHKOOP-QGZVFWFLSA-N 1 2 350.488 2.615 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000574598427 519235190 /nfs/dbraw/zinc/23/51/90/519235190.db2.gz GUPIWDNPLFWXNP-LRDDRELGSA-N 1 2 361.511 2.918 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000574598427 519235195 /nfs/dbraw/zinc/23/51/95/519235195.db2.gz GUPIWDNPLFWXNP-LRDDRELGSA-N 1 2 361.511 2.918 20 30 FFEDLO C[C@@](CO)([NH2+]Cc1nc(C#N)cs1)c1ccc(Br)cc1 ZINC000566038864 519258990 /nfs/dbraw/zinc/25/89/90/519258990.db2.gz OXGOSCMCDAGFRK-AWEZNQCLSA-N 1 2 352.257 2.775 20 30 FFEDLO Cc1ccc([C@H](CNC(=O)[C@@]2(C#N)CC23CCCC3)[NH+]2CCOCC2)cc1 ZINC000590622983 519293244 /nfs/dbraw/zinc/29/32/44/519293244.db2.gz GYNYGTRSIICYAV-UGKGYDQZSA-N 1 2 367.493 2.959 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000590629480 519294303 /nfs/dbraw/zinc/29/43/03/519294303.db2.gz IXRHBOIAKFURDV-NRFANRHFSA-N 1 2 353.466 2.813 20 30 FFEDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1cnc2ccc(C#N)cn12 ZINC000580789556 519360237 /nfs/dbraw/zinc/36/02/37/519360237.db2.gz FMCKDXKYSDEKSV-UHFFFAOYSA-N 1 2 367.478 2.714 20 30 FFEDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1cnc2ccc(C#N)cn12 ZINC000580789556 519360245 /nfs/dbraw/zinc/36/02/45/519360245.db2.gz FMCKDXKYSDEKSV-UHFFFAOYSA-N 1 2 367.478 2.714 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H](C3CC3)C3CCC3)CC2)cc1 ZINC000590841373 519396660 /nfs/dbraw/zinc/39/66/60/519396660.db2.gz RRUNTDAWTYGZRQ-FQEVSTJZSA-N 1 2 352.482 2.964 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000578073992 519403553 /nfs/dbraw/zinc/40/35/53/519403553.db2.gz GKGBOJMJDQPSAO-QGZVFWFLSA-N 1 2 362.886 2.966 20 30 FFEDLO C=CCC[C@H](NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000572032544 519410385 /nfs/dbraw/zinc/41/03/85/519410385.db2.gz CDNIXOMIEVGDAA-ROUUACIJSA-N 1 2 366.465 2.560 20 30 FFEDLO C[C@@H](CC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)n1cc[nH+]c1 ZINC000566328514 519436032 /nfs/dbraw/zinc/43/60/32/519436032.db2.gz POOWTWHFMBZMQQ-HOCLYGCPSA-N 1 2 355.417 2.630 20 30 FFEDLO COc1ccccc1N1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000569248244 519452965 /nfs/dbraw/zinc/45/29/65/519452965.db2.gz KWEWEGCTMKXPCS-UHFFFAOYSA-N 1 2 352.394 2.797 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000569327487 519494401 /nfs/dbraw/zinc/49/44/01/519494401.db2.gz JLBCRYKOUSWHDT-PMACEKPBSA-N 1 2 361.445 2.938 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000569327487 519494408 /nfs/dbraw/zinc/49/44/08/519494408.db2.gz JLBCRYKOUSWHDT-PMACEKPBSA-N 1 2 361.445 2.938 20 30 FFEDLO Cc1onc(CC(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)c1C#N ZINC000566461508 519505843 /nfs/dbraw/zinc/50/58/43/519505843.db2.gz HKUZDNJVKDWPNN-UHFFFAOYSA-N 1 2 363.421 2.755 20 30 FFEDLO COc1cc(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)ccc1C#N ZINC000566535618 519536162 /nfs/dbraw/zinc/53/61/62/519536162.db2.gz SEWIZIPSHNMXLZ-UHFFFAOYSA-N 1 2 365.437 2.561 20 30 FFEDLO Cc1cc(Br)cn2c(CNc3n[nH]c(C4CC4)c3C#N)c[nH+]c12 ZINC000575236700 519568487 /nfs/dbraw/zinc/56/84/87/519568487.db2.gz QETPSHGXJUMYGL-UHFFFAOYSA-N 1 2 371.242 2.911 20 30 FFEDLO CCN1CCN(c2ccc(C(F)(F)F)c(C#N)n2)C[C@H]1c1[nH]cc[nH+]1 ZINC000566631893 519586888 /nfs/dbraw/zinc/58/68/88/519586888.db2.gz FWLBCJSTBKTPAW-ZDUSSCGKSA-N 1 2 350.348 2.578 20 30 FFEDLO CC(C)C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602857312 519928904 /nfs/dbraw/zinc/92/89/04/519928904.db2.gz QPNFOLYCYODKNE-WSTZPKSXSA-N 1 2 356.514 2.808 20 30 FFEDLO CC(C)C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602857312 519928908 /nfs/dbraw/zinc/92/89/08/519928908.db2.gz QPNFOLYCYODKNE-WSTZPKSXSA-N 1 2 356.514 2.808 20 30 FFEDLO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602861918 519933175 /nfs/dbraw/zinc/93/31/75/519933175.db2.gz JJZSOTGEAULKJI-VXGBXAGGSA-N 1 2 373.375 2.949 20 30 FFEDLO Cc1ccc(S(=O)(=O)N[C@H](C[NH2+][C@H](C)CC#N)c2ccccc2)cc1 ZINC000602869972 519937223 /nfs/dbraw/zinc/93/72/23/519937223.db2.gz RGFUBYNUCUQBNL-VQIMIIECSA-N 1 2 357.479 2.906 20 30 FFEDLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866531 519937424 /nfs/dbraw/zinc/93/74/24/519937424.db2.gz VSONFSPAHIQUAN-YYIAUSFCSA-N 1 2 360.527 2.718 20 30 FFEDLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866531 519937431 /nfs/dbraw/zinc/93/74/31/519937431.db2.gz VSONFSPAHIQUAN-YYIAUSFCSA-N 1 2 360.527 2.718 20 30 FFEDLO CC(C)c1nnc(CC2CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)[nH]1 ZINC000602868240 519938098 /nfs/dbraw/zinc/93/80/98/519938098.db2.gz ZLZUGTWWFLZVFT-YWZLYKJASA-N 1 2 374.533 2.626 20 30 FFEDLO CC(C)c1nc(CC2CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)n[nH]1 ZINC000602868240 519938109 /nfs/dbraw/zinc/93/81/09/519938109.db2.gz ZLZUGTWWFLZVFT-YWZLYKJASA-N 1 2 374.533 2.626 20 30 FFEDLO CCN(CC(F)(F)F)C(=O)C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602898459 519959483 /nfs/dbraw/zinc/95/94/83/519959483.db2.gz FMJGVAXTZXNNNR-UHFFFAOYSA-N 1 2 368.403 2.845 20 30 FFEDLO CCN(CC(F)(F)F)C(=O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602905131 519962575 /nfs/dbraw/zinc/96/25/75/519962575.db2.gz DDSTVPWSKHORBZ-UHFFFAOYSA-N 1 2 354.376 2.543 20 30 FFEDLO C[N@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602974769 520001512 /nfs/dbraw/zinc/00/15/12/520001512.db2.gz TXDWYOBSLACTKT-GOEBONIOSA-N 1 2 351.397 2.571 20 30 FFEDLO C[N@@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602974769 520001515 /nfs/dbraw/zinc/00/15/15/520001515.db2.gz TXDWYOBSLACTKT-GOEBONIOSA-N 1 2 351.397 2.571 20 30 FFEDLO N#Cc1ccccc1Oc1ccc(NC[C@H](O)C[NH+]2CCOCC2)cc1F ZINC000591774170 520034434 /nfs/dbraw/zinc/03/44/34/520034434.db2.gz FSFHXEPVWHLMKB-KRWDZBQOSA-N 1 2 371.412 2.595 20 30 FFEDLO N#Cc1cc(F)cc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000603082973 520067731 /nfs/dbraw/zinc/06/77/31/520067731.db2.gz VJYYGKSLQODCRA-INIZCTEOSA-N 1 2 374.441 2.954 20 30 FFEDLO COc1ccc2ncc(C#N)c(N3CCN(c4cc[nH+]c(C)n4)CC3)c2c1 ZINC000591930669 520091969 /nfs/dbraw/zinc/09/19/69/520091969.db2.gz DZIRJYAUZTYMKK-UHFFFAOYSA-N 1 2 360.421 2.540 20 30 FFEDLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)Nc1ccnc(C#N)c1 ZINC000603127852 520094606 /nfs/dbraw/zinc/09/46/06/520094606.db2.gz LNRRHWSWTUBNGX-MRXNPFEDSA-N 1 2 371.466 2.552 20 30 FFEDLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CC[C@@](O)(CC#N)C1 ZINC000591976226 520116158 /nfs/dbraw/zinc/11/61/58/520116158.db2.gz MUMCAAQYPWDXGN-FQEVSTJZSA-N 1 2 353.422 2.883 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000594745843 520130555 /nfs/dbraw/zinc/13/05/55/520130555.db2.gz LUXRUTBSGVZGME-UHFFFAOYSA-N 1 2 363.508 2.796 20 30 FFEDLO CC[N@@H+]1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)[C@@H](C)C1 ZINC000594778310 520152036 /nfs/dbraw/zinc/15/20/36/520152036.db2.gz LRZKKBDNCLDXDT-LBPRGKRZSA-N 1 2 363.508 2.796 20 30 FFEDLO CC[N@H+]1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)[C@@H](C)C1 ZINC000594778310 520152045 /nfs/dbraw/zinc/15/20/45/520152045.db2.gz LRZKKBDNCLDXDT-LBPRGKRZSA-N 1 2 363.508 2.796 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000592146844 520223771 /nfs/dbraw/zinc/22/37/71/520223771.db2.gz KWBILSXOJXJFGP-QUCCMNQESA-N 1 2 353.397 2.856 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000592146844 520223773 /nfs/dbraw/zinc/22/37/73/520223773.db2.gz KWBILSXOJXJFGP-QUCCMNQESA-N 1 2 353.397 2.856 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)C(C)(C)CO ZINC000597847781 520278295 /nfs/dbraw/zinc/27/82/95/520278295.db2.gz RSIRXYOJIOSWLR-WMZOPIPTSA-N 1 2 354.454 2.683 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000609485826 520327946 /nfs/dbraw/zinc/32/79/46/520327946.db2.gz YHYNQEDVDZDWED-NRFANRHFSA-N 1 2 368.525 2.978 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000609485995 520330331 /nfs/dbraw/zinc/33/03/31/520330331.db2.gz BJNPAASLFQQUCA-YJBOKZPZSA-N 1 2 362.905 2.510 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000595219615 520355361 /nfs/dbraw/zinc/35/53/61/520355361.db2.gz LHKLVHRPEUPLGM-CHWSQXEVSA-N 1 2 371.466 2.630 20 30 FFEDLO N#CC1(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCCCC1 ZINC000595439303 520472088 /nfs/dbraw/zinc/47/20/88/520472088.db2.gz XCVURFILFYFENT-IBGZPJMESA-N 1 2 370.497 2.833 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H](CC#N)C3)c[nH+]2)C[C@H](C)O1 ZINC000595456027 520483263 /nfs/dbraw/zinc/48/32/63/520483263.db2.gz REHSRYXEQKMGFY-BBWFWOEESA-N 1 2 371.485 2.530 20 30 FFEDLO CC(C)CCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000600829481 520492576 /nfs/dbraw/zinc/49/25/76/520492576.db2.gz JESACIHZKIKQIF-VQIMIIECSA-N 1 2 360.477 2.559 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCn3c[nH+]cc3C2)c1 ZINC000595489379 520503676 /nfs/dbraw/zinc/50/36/76/520503676.db2.gz IIOYYKORQRNJAH-KRWDZBQOSA-N 1 2 351.454 2.651 20 30 FFEDLO C[C@](C#N)(NC(=O)C[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1CC1 ZINC000604276183 520504022 /nfs/dbraw/zinc/50/40/22/520504022.db2.gz GWXJDWJUMCJFKC-GMXVVIOVSA-N 1 2 371.325 2.858 20 30 FFEDLO N#Cc1ccc(CN2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)CC2)cc1 ZINC000610027278 520512037 /nfs/dbraw/zinc/51/20/37/520512037.db2.gz ZTNSSSZUELNTEB-UHFFFAOYSA-N 1 2 360.421 2.556 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCOC3(CCOCC3)CC2)c1C#N ZINC000613587906 520572834 /nfs/dbraw/zinc/57/28/34/520572834.db2.gz KGRYOEKLZSKTEL-UHFFFAOYSA-N 1 2 366.465 2.824 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCOC3(CCOCC3)CC2)c1C#N ZINC000613587906 520572837 /nfs/dbraw/zinc/57/28/37/520572837.db2.gz KGRYOEKLZSKTEL-UHFFFAOYSA-N 1 2 366.465 2.824 20 30 FFEDLO C=CCN1CC[C@H]([N@H+]2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)C1=O ZINC000595613189 520591494 /nfs/dbraw/zinc/59/14/94/520591494.db2.gz ITRAXGLBJTWMBH-MSOLQXFVSA-N 1 2 356.466 2.714 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+]2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)C1=O ZINC000595613189 520591501 /nfs/dbraw/zinc/59/15/01/520591501.db2.gz ITRAXGLBJTWMBH-MSOLQXFVSA-N 1 2 356.466 2.714 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+]2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)C1=O ZINC000595613193 520592244 /nfs/dbraw/zinc/59/22/44/520592244.db2.gz ITRAXGLBJTWMBH-QZTJIDSGSA-N 1 2 356.466 2.714 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+]2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)C1=O ZINC000595613193 520592250 /nfs/dbraw/zinc/59/22/50/520592250.db2.gz ITRAXGLBJTWMBH-QZTJIDSGSA-N 1 2 356.466 2.714 20 30 FFEDLO COc1cc(-c2nnc(C[N@@H+]3CCC[C@@H](CC#N)C3)o2)cc(OC)c1OC ZINC000595611556 520592580 /nfs/dbraw/zinc/59/25/80/520592580.db2.gz KYUVODICKKZOKF-ZDUSSCGKSA-N 1 2 372.425 2.888 20 30 FFEDLO COc1cc(-c2nnc(C[N@H+]3CCC[C@@H](CC#N)C3)o2)cc(OC)c1OC ZINC000595611556 520592588 /nfs/dbraw/zinc/59/25/88/520592588.db2.gz KYUVODICKKZOKF-ZDUSSCGKSA-N 1 2 372.425 2.888 20 30 FFEDLO Cc1noc(C)c1[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000604548453 520596403 /nfs/dbraw/zinc/59/64/03/520596403.db2.gz WTCOSHFZLHKNDP-AWEZNQCLSA-N 1 2 352.438 2.611 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595617729 520597246 /nfs/dbraw/zinc/59/72/46/520597246.db2.gz JJAQBMARJWINKO-QRWLVFNGSA-N 1 2 359.445 2.962 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595617729 520597259 /nfs/dbraw/zinc/59/72/59/520597259.db2.gz JJAQBMARJWINKO-QRWLVFNGSA-N 1 2 359.445 2.962 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCc1ccc(C(F)F)cc1 ZINC000601023382 520601159 /nfs/dbraw/zinc/60/11/59/520601159.db2.gz GGQHYDXCJVJWAG-UHFFFAOYSA-N 1 2 365.424 2.631 20 30 FFEDLO CC1CCC(N(C)C(=O)C[NH+]2CCN(c3ccsc3C#N)CC2)CC1 ZINC000595634047 520611465 /nfs/dbraw/zinc/61/14/65/520611465.db2.gz UZWRRHFNPZEVQJ-UHFFFAOYSA-N 1 2 360.527 2.779 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000601128454 520649797 /nfs/dbraw/zinc/64/97/97/520649797.db2.gz IVOAMMBWSGRZMA-KRWDZBQOSA-N 1 2 353.426 2.668 20 30 FFEDLO N#Cc1ccc(CCNC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000595689896 520651466 /nfs/dbraw/zinc/65/14/66/520651466.db2.gz FKSIXDKTVYFBKS-UHFFFAOYSA-N 1 2 354.479 2.690 20 30 FFEDLO N#Cc1ccc(CCNC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000595695125 520655926 /nfs/dbraw/zinc/65/59/26/520655926.db2.gz ORCQIXBNCQOEHC-UHFFFAOYSA-N 1 2 366.440 2.767 20 30 FFEDLO Cc1nc(C)c(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)o1 ZINC000595730152 520678266 /nfs/dbraw/zinc/67/82/66/520678266.db2.gz AAGFNYYMCKALNF-UHFFFAOYSA-N 1 2 362.437 2.875 20 30 FFEDLO Cc1cc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)nc(C)n1 ZINC000595733660 520681939 /nfs/dbraw/zinc/68/19/39/520681939.db2.gz OEDKIBSCNRETGN-UHFFFAOYSA-N 1 2 373.464 2.677 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCOC[C@H]2c2cccc(F)c2)cc1 ZINC000595759844 520704485 /nfs/dbraw/zinc/70/44/85/520704485.db2.gz OUKZUUYOBRCWPN-ICSRJNTNSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@H]2c2cccc(F)c2)cc1 ZINC000595759844 520704489 /nfs/dbraw/zinc/70/44/89/520704489.db2.gz OUKZUUYOBRCWPN-ICSRJNTNSA-N 1 2 356.397 2.511 20 30 FFEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC000613869126 520709836 /nfs/dbraw/zinc/70/98/36/520709836.db2.gz UGXKXCZDZDHMRO-ZDUSSCGKSA-N 1 2 350.451 2.841 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](Cc2ccccc2F)CC2CC2)nc1 ZINC000595766247 520710060 /nfs/dbraw/zinc/71/00/60/520710060.db2.gz CKJPVFXUGQGFIS-UHFFFAOYSA-N 1 2 373.453 2.778 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](Cc2ccccc2F)CC2CC2)nc1 ZINC000595766247 520710067 /nfs/dbraw/zinc/71/00/67/520710067.db2.gz CKJPVFXUGQGFIS-UHFFFAOYSA-N 1 2 373.453 2.778 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000610485098 520710310 /nfs/dbraw/zinc/71/03/10/520710310.db2.gz SNUULLMFJWAAGM-HXUWFJFHSA-N 1 2 370.474 2.796 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000610485098 520710317 /nfs/dbraw/zinc/71/03/17/520710317.db2.gz SNUULLMFJWAAGM-HXUWFJFHSA-N 1 2 370.474 2.796 20 30 FFEDLO CC(C)(C#N)C[C@H](O)CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000598585829 520728745 /nfs/dbraw/zinc/72/87/45/520728745.db2.gz BHEKNLQVYWWYMU-KRWDZBQOSA-N 1 2 365.905 2.637 20 30 FFEDLO C[C@H](NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)c1cccc(C#N)c1 ZINC000610532054 520729817 /nfs/dbraw/zinc/72/98/17/520729817.db2.gz QMMCOESJAUNHMW-AWEZNQCLSA-N 1 2 373.416 2.775 20 30 FFEDLO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1nnc2n1CCCCC2 ZINC000595803445 520737894 /nfs/dbraw/zinc/73/78/94/520737894.db2.gz LYLWEPUTCCXDSR-GOEBONIOSA-N 1 2 366.469 2.944 20 30 FFEDLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595836274 520758357 /nfs/dbraw/zinc/75/83/57/520758357.db2.gz WXVYTMNKAKLVNI-INIZCTEOSA-N 1 2 350.260 2.643 20 30 FFEDLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595836274 520758362 /nfs/dbraw/zinc/75/83/62/520758362.db2.gz WXVYTMNKAKLVNI-INIZCTEOSA-N 1 2 350.260 2.643 20 30 FFEDLO C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1[nH+]ccn1C ZINC000595846143 520762232 /nfs/dbraw/zinc/76/22/32/520762232.db2.gz VKQLPCYSQZVULU-AWEZNQCLSA-N 1 2 353.426 2.606 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1ccccc1CC#N ZINC000601411296 520778430 /nfs/dbraw/zinc/77/84/30/520778430.db2.gz RHJIRZBMDVGKBW-INIZCTEOSA-N 1 2 358.467 2.885 20 30 FFEDLO N#CCCN(C(=O)C[NH2+][C@@H](CO)c1ccc(F)cc1F)c1ccccc1 ZINC000595868782 520779125 /nfs/dbraw/zinc/77/91/25/520779125.db2.gz ZHISIYHMMWLAHY-SFHVURJKSA-N 1 2 359.376 2.535 20 30 FFEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614171593 520834535 /nfs/dbraw/zinc/83/45/35/520834535.db2.gz SDELMTAXBOESMC-SFHVURJKSA-N 1 2 368.525 2.616 20 30 FFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2[nH]c[nH+]c2C12CCOCC2 ZINC000601654033 520887539 /nfs/dbraw/zinc/88/75/39/520887539.db2.gz MBTNATABYUEJKD-OAHLLOKOSA-N 1 2 364.449 2.551 20 30 FFEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N2CCC[C@@H](CC#N)C2)cc1 ZINC000596101949 520912710 /nfs/dbraw/zinc/91/27/10/520912710.db2.gz OHWROGHGZHNFHH-ICSRJNTNSA-N 1 2 370.497 2.704 20 30 FFEDLO COCc1cccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000610993127 520936808 /nfs/dbraw/zinc/93/68/08/520936808.db2.gz DXQGCWPDUWSPPY-UHFFFAOYSA-N 1 2 352.438 2.892 20 30 FFEDLO COC(=O)Cc1cc[nH+]c(NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000596178334 520953163 /nfs/dbraw/zinc/95/31/63/520953163.db2.gz ILMUYXSNNBHXIS-UHFFFAOYSA-N 1 2 366.421 2.866 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c(Br)c1 ZINC000611181475 521028163 /nfs/dbraw/zinc/02/81/63/521028163.db2.gz DWPBBBVHHNHFTF-AWEZNQCLSA-N 1 2 350.260 2.622 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)c1ccsc1C#N ZINC000593525957 521051227 /nfs/dbraw/zinc/05/12/27/521051227.db2.gz PLPHUGQDHDEIJW-UHFFFAOYSA-N 1 2 360.464 2.647 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccsc1C#N ZINC000593544739 521066422 /nfs/dbraw/zinc/06/64/22/521066422.db2.gz JZKKYMUBYNUZDW-CQSZACIVSA-N 1 2 361.492 2.515 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccsc1C#N ZINC000593544739 521066426 /nfs/dbraw/zinc/06/64/26/521066426.db2.gz JZKKYMUBYNUZDW-CQSZACIVSA-N 1 2 361.492 2.515 20 30 FFEDLO Cc1c(C#N)c(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)nc2ccccc12 ZINC000599185876 521077883 /nfs/dbraw/zinc/07/78/83/521077883.db2.gz ZLOHCBLWLPYOBW-GOSISDBHSA-N 1 2 373.460 2.545 20 30 FFEDLO Cc1c(C#N)c(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)nc2ccccc12 ZINC000599185876 521077893 /nfs/dbraw/zinc/07/78/93/521077893.db2.gz ZLOHCBLWLPYOBW-GOSISDBHSA-N 1 2 373.460 2.545 20 30 FFEDLO N#CCc1cccc2c1CCN(c1cc(N3CCSCC3)[nH+]cn1)C2 ZINC000599195582 521082154 /nfs/dbraw/zinc/08/21/54/521082154.db2.gz RPORKAHBVAYTFT-UHFFFAOYSA-N 1 2 351.479 2.659 20 30 FFEDLO N#CCc1cccc2c1CCN(c1cc(N3CCSCC3)nc[nH+]1)C2 ZINC000599195582 521082157 /nfs/dbraw/zinc/08/21/57/521082157.db2.gz RPORKAHBVAYTFT-UHFFFAOYSA-N 1 2 351.479 2.659 20 30 FFEDLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)C[C@H](O)COc1ccccc1C#N ZINC000599257729 521112316 /nfs/dbraw/zinc/11/23/16/521112316.db2.gz NZKXPAVJUDROEY-KRWDZBQOSA-N 1 2 373.840 2.522 20 30 FFEDLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)C[C@H](O)COc1ccccc1C#N ZINC000599257729 521112323 /nfs/dbraw/zinc/11/23/23/521112323.db2.gz NZKXPAVJUDROEY-KRWDZBQOSA-N 1 2 373.840 2.522 20 30 FFEDLO Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)cc1C#N ZINC000599274101 521122658 /nfs/dbraw/zinc/12/26/58/521122658.db2.gz YYVGMCFCWGTLNO-UHFFFAOYSA-N 1 2 351.425 2.893 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000611386624 521129880 /nfs/dbraw/zinc/12/98/80/521129880.db2.gz QABZWUOQKPTZDH-UONOGXRCSA-N 1 2 359.437 2.733 20 30 FFEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC(Oc3ccc(C#N)cc3)CC1)CC2 ZINC000599332232 521158550 /nfs/dbraw/zinc/15/85/50/521158550.db2.gz ONPJDRNGETWRHX-KRWDZBQOSA-N 1 2 364.449 2.696 20 30 FFEDLO N#C[C@@]1(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CCc2ccccc2C1 ZINC000602141981 521168807 /nfs/dbraw/zinc/16/88/07/521168807.db2.gz RZOBPMHJJVIVAC-DOTOQJQBSA-N 1 2 362.355 2.944 20 30 FFEDLO N#CC1(CC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCOCC1 ZINC000596656725 521194094 /nfs/dbraw/zinc/19/40/94/521194094.db2.gz KLCQHAAPHHIQCY-UHFFFAOYSA-N 1 2 361.873 2.695 20 30 FFEDLO COC(=O)c1coc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000611552488 521215676 /nfs/dbraw/zinc/21/56/76/521215676.db2.gz BMXLZSJJIVUKTL-SFHVURJKSA-N 1 2 357.385 2.588 20 30 FFEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cn2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000593959987 521316334 /nfs/dbraw/zinc/31/63/34/521316334.db2.gz YBWRSNYYKKPFFW-HNNXBMFYSA-N 1 2 368.868 2.882 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000593959987 521316343 /nfs/dbraw/zinc/31/63/43/521316343.db2.gz YBWRSNYYKKPFFW-HNNXBMFYSA-N 1 2 368.868 2.882 20 30 FFEDLO Cc1cnc(OC2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)nc1 ZINC000594019761 521355052 /nfs/dbraw/zinc/35/50/52/521355052.db2.gz RUWYDQQTGQRJMY-OAHLLOKOSA-N 1 2 365.437 2.527 20 30 FFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(S(N)(=O)=O)cc1F ZINC000602486576 521372907 /nfs/dbraw/zinc/37/29/07/521372907.db2.gz UWMHZHUWVRXDLW-PKOBYXMFSA-N 1 2 373.453 2.745 20 30 FFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(S(N)(=O)=O)cc1F ZINC000602486576 521372915 /nfs/dbraw/zinc/37/29/15/521372915.db2.gz UWMHZHUWVRXDLW-PKOBYXMFSA-N 1 2 373.453 2.745 20 30 FFEDLO CN1CC[NH+](Cc2cccc(NC(=O)c3cc(F)c(C#N)c(F)c3)c2)CC1 ZINC000596919544 521379860 /nfs/dbraw/zinc/37/98/60/521379860.db2.gz MQBZTTBIPVQJEB-UHFFFAOYSA-N 1 2 370.403 2.836 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)OC)C2)c1C#N ZINC000599680730 521394851 /nfs/dbraw/zinc/39/48/51/521394851.db2.gz QWLIELHSPXJILE-IBGZPJMESA-N 1 2 364.401 2.617 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2Cc3ccccc3[C@@H](C(=O)OC)C2)c1C#N ZINC000599680730 521394858 /nfs/dbraw/zinc/39/48/58/521394858.db2.gz QWLIELHSPXJILE-IBGZPJMESA-N 1 2 364.401 2.617 20 30 FFEDLO Cn1ncc(C2CCC2)c1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000596986386 521426756 /nfs/dbraw/zinc/42/67/56/521426756.db2.gz WFGYJTGQFARURT-UHFFFAOYSA-N 1 2 366.469 2.747 20 30 FFEDLO N#Cc1cccc(C[N@H+](CCO)Cc2cc(Br)cs2)n1 ZINC000602633263 521448245 /nfs/dbraw/zinc/44/82/45/521448245.db2.gz FREVWPUOCQTVSI-UHFFFAOYSA-N 1 2 352.257 2.772 20 30 FFEDLO N#Cc1cccc(C[N@@H+](CCO)Cc2cc(Br)cs2)n1 ZINC000602633263 521448253 /nfs/dbraw/zinc/44/82/53/521448253.db2.gz FREVWPUOCQTVSI-UHFFFAOYSA-N 1 2 352.257 2.772 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000619272909 521487128 /nfs/dbraw/zinc/48/71/28/521487128.db2.gz CCCCMLFAYKGAIP-NRFANRHFSA-N 1 2 369.428 2.802 20 30 FFEDLO N#CCn1c(C(=O)NCC2CC[NH+](CC(F)F)CC2)cc2ccccc21 ZINC000594361083 521574853 /nfs/dbraw/zinc/57/48/53/521574853.db2.gz PTCHSEPZSLSFFJ-UHFFFAOYSA-N 1 2 360.408 2.872 20 30 FFEDLO C=C[C@H](Sc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)C(=O)OC ZINC000619687026 521825326 /nfs/dbraw/zinc/82/53/26/521825326.db2.gz JNCIMULBRRAXDM-INIZCTEOSA-N 1 2 372.494 2.742 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2=O)nn1 ZINC000623704957 522228813 /nfs/dbraw/zinc/22/88/13/522228813.db2.gz WOBHCZGTJOJTKJ-HNNXBMFYSA-N 1 2 363.824 2.542 20 30 FFEDLO C=CCOc1ccc(C[NH2+]Cc2nnc(C3CCOCC3)[nH]2)cc1OC ZINC000631215579 523470614 /nfs/dbraw/zinc/47/06/14/523470614.db2.gz WQPHGXRVXZADIT-UHFFFAOYSA-N 1 2 358.442 2.562 20 30 FFEDLO C=CC[C@H]1CCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000628486923 523578591 /nfs/dbraw/zinc/57/85/91/523578591.db2.gz TWCBAPYEDBNELP-INIZCTEOSA-N 1 2 352.438 2.950 20 30 FFEDLO Cc1n[nH]cc1CNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000328655632 526544762 /nfs/dbraw/zinc/54/47/62/526544762.db2.gz YOQDEWRIIGURRN-GJZGRUSLSA-N 1 2 365.478 2.738 20 30 FFEDLO Cc1n[nH]cc1CNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000328655632 526544773 /nfs/dbraw/zinc/54/47/73/526544773.db2.gz YOQDEWRIIGURRN-GJZGRUSLSA-N 1 2 365.478 2.738 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)Cc1ccccc1 ZINC000819740454 607325222 /nfs/dbraw/zinc/32/52/22/607325222.db2.gz ZWGWBBPXGFNFCS-UHFFFAOYSA-N 1 2 366.425 2.703 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)Cc1ccccc1 ZINC000819740454 607325223 /nfs/dbraw/zinc/32/52/23/607325223.db2.gz ZWGWBBPXGFNFCS-UHFFFAOYSA-N 1 2 366.425 2.703 20 30 FFEDLO C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000833551099 604924964 /nfs/dbraw/zinc/92/49/64/604924964.db2.gz QSXFCYOEORSGHE-FOIQADDNSA-N 1 2 364.449 2.894 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)N4C(=O)[O-])CC2)cc1 ZINC000833971618 606008239 /nfs/dbraw/zinc/00/82/39/606008239.db2.gz KXOOJENQKLJCPR-IHWFROFDSA-N 1 2 368.481 2.786 20 30 FFEDLO CC(C)[N@H+](CC(=O)NCCC#N)Cc1cc(Br)ccc1F ZINC000746137190 735465263 /nfs/dbraw/zinc/46/52/63/735465263.db2.gz LYJSSZJUJANDRW-UHFFFAOYSA-N 1 2 356.239 2.828 20 30 FFEDLO CC(C)[N@@H+](CC(=O)NCCC#N)Cc1cc(Br)ccc1F ZINC000746137190 735465266 /nfs/dbraw/zinc/46/52/66/735465266.db2.gz LYJSSZJUJANDRW-UHFFFAOYSA-N 1 2 356.239 2.828 20 30 FFEDLO C=CCn1c2nn(C[N@H+](C)CC3CC3)c(=S)n2c2ccccc2c1=O ZINC000047252591 728029489 /nfs/dbraw/zinc/02/94/89/728029489.db2.gz FVYPRMDRQCOKDA-UHFFFAOYSA-N 1 2 355.467 2.665 20 30 FFEDLO C=CCn1c2nn(C[N@@H+](C)CC3CC3)c(=S)n2c2ccccc2c1=O ZINC000047252591 728029492 /nfs/dbraw/zinc/02/94/92/728029492.db2.gz FVYPRMDRQCOKDA-UHFFFAOYSA-N 1 2 355.467 2.665 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@]2(C)CCCS2)CC1=O ZINC000121204034 728622075 /nfs/dbraw/zinc/62/20/75/728622075.db2.gz UIKCCVCHCMBPHR-LJQANCHMSA-N 1 2 356.495 2.932 20 30 FFEDLO C=C(Br)CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000171186396 728999325 /nfs/dbraw/zinc/99/93/25/728999325.db2.gz HZIDMDHUYNFDGG-UHFFFAOYSA-N 1 2 353.195 2.719 20 30 FFEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000186102428 729360710 /nfs/dbraw/zinc/36/07/10/729360710.db2.gz KJZWFADGUNJOHC-CQSZACIVSA-N 1 2 359.898 2.624 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000186102428 729360711 /nfs/dbraw/zinc/36/07/11/729360711.db2.gz KJZWFADGUNJOHC-CQSZACIVSA-N 1 2 359.898 2.624 20 30 FFEDLO C[C@H](O)C1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000329349938 729797078 /nfs/dbraw/zinc/79/70/78/729797078.db2.gz DYHPFVWHNXBPEJ-ZDUSSCGKSA-N 1 2 352.504 2.767 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(C)(O)CC3)n2)C1 ZINC000329932589 729799477 /nfs/dbraw/zinc/79/94/77/729799477.db2.gz BBVGWDUKCNHXHK-CYBMUJFWSA-N 1 2 352.504 2.767 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(C)(O)CC3)n2)C1 ZINC000329932589 729799479 /nfs/dbraw/zinc/79/94/79/729799479.db2.gz BBVGWDUKCNHXHK-CYBMUJFWSA-N 1 2 352.504 2.767 20 30 FFEDLO O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330209342 729800297 /nfs/dbraw/zinc/80/02/97/729800297.db2.gz BQNZFFRBHJRPKW-CKEIUWERSA-N 1 2 350.488 2.558 20 30 FFEDLO C#CC[C@H](COC)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000860307353 730500171 /nfs/dbraw/zinc/50/01/71/730500171.db2.gz RKDGJPVGGSUFFN-UONOGXRCSA-N 1 2 350.488 2.535 20 30 FFEDLO C#CC[C@H](COC)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000860307353 730500173 /nfs/dbraw/zinc/50/01/73/730500173.db2.gz RKDGJPVGGSUFFN-UONOGXRCSA-N 1 2 350.488 2.535 20 30 FFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC000864428472 730844693 /nfs/dbraw/zinc/84/46/93/730844693.db2.gz DSUPBMMSWPNLBS-SMDDNHRTSA-N 1 2 351.332 2.746 20 30 FFEDLO N#C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1c(Cl)cccc1Cl ZINC000865198509 730923777 /nfs/dbraw/zinc/92/37/77/730923777.db2.gz JVHJLXRPKJTJQI-DQWBNOTDSA-N 1 2 354.237 2.563 20 30 FFEDLO N#CC1(NC(=O)c2ccc(C=O)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000867252802 731161325 /nfs/dbraw/zinc/16/13/25/731161325.db2.gz WASDGXKXAQWGKK-UHFFFAOYSA-N 1 2 353.447 2.849 20 30 FFEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc(CC#N)c1 ZINC000867679763 731212783 /nfs/dbraw/zinc/21/27/83/731212783.db2.gz LKWLKKYROXZWNG-UHFFFAOYSA-N 1 2 359.451 2.770 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@@](C)(CO)c2cccc(C(F)(F)F)c2)nn1 ZINC000653557461 731272978 /nfs/dbraw/zinc/27/29/78/731272978.db2.gz VUQJHLPLJZJYAT-INIZCTEOSA-N 1 2 354.376 2.870 20 30 FFEDLO Nc1nc(Cl)c(C=[NH+]Nc2ccccc2Cl)c(N2CCOCC2)n1 ZINC000873847226 731971894 /nfs/dbraw/zinc/97/18/94/731971894.db2.gz HAHNONWQUIEPQJ-UHFFFAOYSA-N 1 2 367.240 2.648 20 30 FFEDLO N#Cc1cnc(Cl)c(CNC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000876904846 732294973 /nfs/dbraw/zinc/29/49/73/732294973.db2.gz LYMLDDPJTNVECP-SFHVURJKSA-N 1 2 356.857 2.597 20 30 FFEDLO N#Cc1cnc(Cl)c(CNC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000876904846 732294978 /nfs/dbraw/zinc/29/49/78/732294978.db2.gz LYMLDDPJTNVECP-SFHVURJKSA-N 1 2 356.857 2.597 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cccnc3Br)C2)nc1 ZINC000877545232 732384253 /nfs/dbraw/zinc/38/42/53/732384253.db2.gz HVCGJSUIEUYJDC-AWEZNQCLSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cccnc3Br)C2)nc1 ZINC000877545232 732384258 /nfs/dbraw/zinc/38/42/58/732384258.db2.gz HVCGJSUIEUYJDC-AWEZNQCLSA-N 1 2 359.227 2.764 20 30 FFEDLO Cn1ccnc1[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)C(C)(C)CO ZINC000878874686 732607470 /nfs/dbraw/zinc/60/74/70/732607470.db2.gz NODHEYYQTFSFLL-MRXNPFEDSA-N 1 2 362.861 2.825 20 30 FFEDLO C=CCN(C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@H](C)COC ZINC000664724538 732625699 /nfs/dbraw/zinc/62/56/99/732625699.db2.gz MRMOUOVHMCPANI-OAHLLOKOSA-N 1 2 365.905 2.931 20 30 FFEDLO C=CCN(C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@H](C)COC ZINC000664724538 732625703 /nfs/dbraw/zinc/62/57/03/732625703.db2.gz MRMOUOVHMCPANI-OAHLLOKOSA-N 1 2 365.905 2.931 20 30 FFEDLO C=CCOCCCNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000664723542 732625760 /nfs/dbraw/zinc/62/57/60/732625760.db2.gz GFGNHZIPSIQIKZ-UHFFFAOYSA-N 1 2 351.878 2.590 20 30 FFEDLO C=CCOCCCNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000664723542 732625762 /nfs/dbraw/zinc/62/57/62/732625762.db2.gz GFGNHZIPSIQIKZ-UHFFFAOYSA-N 1 2 351.878 2.590 20 30 FFEDLO C#CCC[N@@H+](CCOC)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878999084 732629366 /nfs/dbraw/zinc/62/93/66/732629366.db2.gz BVROJQRQEOWIFZ-UHFFFAOYSA-N 1 2 364.789 2.770 20 30 FFEDLO C#CCC[N@H+](CCOC)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878999084 732629371 /nfs/dbraw/zinc/62/93/71/732629371.db2.gz BVROJQRQEOWIFZ-UHFFFAOYSA-N 1 2 364.789 2.770 20 30 FFEDLO COC(=O)c1cnc(CC2CC[NH+](Cc3ccncc3C#N)CC2)s1 ZINC000880272932 732878637 /nfs/dbraw/zinc/87/86/37/732878637.db2.gz AAGYXQCAXVFFJZ-UHFFFAOYSA-N 1 2 356.451 2.651 20 30 FFEDLO CN(C(=O)CO[NH+]=C(N)c1ccc(Br)cc1)C1CCCCC1 ZINC000782949777 738767400 /nfs/dbraw/zinc/76/74/00/738767400.db2.gz ZQZPRGYVONETRL-UHFFFAOYSA-N 1 2 368.275 2.877 20 30 FFEDLO Cc1c(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cnn1CCC#N ZINC000889969658 734249125 /nfs/dbraw/zinc/24/91/25/734249125.db2.gz IBSRZUCCBWVDNI-CQSZACIVSA-N 1 2 357.483 2.686 20 30 FFEDLO CC(C)(CNC(=S)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCOCC1 ZINC000726440898 734424676 /nfs/dbraw/zinc/42/46/76/734424676.db2.gz FUMKIMOOOFJXBE-UHFFFAOYSA-N 1 2 352.891 2.609 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000733196097 734796629 /nfs/dbraw/zinc/79/66/29/734796629.db2.gz GFKIOPWNKDMCDG-IYBDPMFKSA-N 1 2 353.507 2.741 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000733196097 734796634 /nfs/dbraw/zinc/79/66/34/734796634.db2.gz GFKIOPWNKDMCDG-IYBDPMFKSA-N 1 2 353.507 2.741 20 30 FFEDLO N#Cc1ccc(F)c(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)c1 ZINC000894309988 734834233 /nfs/dbraw/zinc/83/42/33/734834233.db2.gz FJOWLDGXSCNFRJ-UHFFFAOYSA-N 1 2 366.849 2.934 20 30 FFEDLO C=C(Br)C[N@H+]1CCCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000747683490 735581955 /nfs/dbraw/zinc/58/19/55/735581955.db2.gz SSMVYMGRHKSQJB-UHFFFAOYSA-N 1 2 368.275 2.679 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000747683490 735581957 /nfs/dbraw/zinc/58/19/57/735581957.db2.gz SSMVYMGRHKSQJB-UHFFFAOYSA-N 1 2 368.275 2.679 20 30 FFEDLO C#CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCOc2ccc(Br)cc21 ZINC000900699762 735681505 /nfs/dbraw/zinc/68/15/05/735681505.db2.gz RVHNKXGSXRYKFT-HNNXBMFYSA-N 1 2 374.238 2.700 20 30 FFEDLO C[C@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1cccc(C#N)c1O ZINC000903424275 736091754 /nfs/dbraw/zinc/09/17/54/736091754.db2.gz PUHDQYIRVAQELU-ZDUSSCGKSA-N 1 2 359.451 2.510 20 30 FFEDLO O=C1Nc2c(ccc(Cl)c2Cl)C1=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753934766 736108135 /nfs/dbraw/zinc/10/81/35/736108135.db2.gz KJCITKQKKYGZCQ-AOOOYVTPSA-N 1 2 352.225 2.510 20 30 FFEDLO C#C[C@@H](NC(=O)/C=C(\C)C[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000908140595 736725625 /nfs/dbraw/zinc/72/56/25/736725625.db2.gz OLSLNZLULJIKTM-JIIJFUIFSA-N 1 2 350.821 2.548 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC)CC1 ZINC000801825350 740654971 /nfs/dbraw/zinc/65/49/71/740654971.db2.gz BOKIOAFZCQNBGC-UHFFFAOYSA-N 1 2 355.511 2.654 20 30 FFEDLO Cc1cccc(S(=O)(=O)CCCO[NH+]=C(N)c2ccc(F)cc2)c1 ZINC000766058096 737188334 /nfs/dbraw/zinc/18/83/34/737188334.db2.gz CHFDENPNHLMLKE-UHFFFAOYSA-N 1 2 350.415 2.635 20 30 FFEDLO C#CC[N@@H+](C[C@H](C)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000768931458 737479077 /nfs/dbraw/zinc/47/90/77/737479077.db2.gz FBIBNYGDVBSSQC-BBRMVZONSA-N 1 2 370.312 2.675 20 30 FFEDLO C#CC[N@H+](C[C@H](C)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000768931458 737479079 /nfs/dbraw/zinc/47/90/79/737479079.db2.gz FBIBNYGDVBSSQC-BBRMVZONSA-N 1 2 370.312 2.675 20 30 FFEDLO CCN(CC)c1ncc(C=[NH+]Nc2ccc(S(C)(=O)=O)cc2)s1 ZINC000914835891 737596044 /nfs/dbraw/zinc/59/60/44/737596044.db2.gz RBVSYBNSTWZUHZ-UHFFFAOYSA-N 1 2 352.485 2.839 20 30 FFEDLO C#C[C@H]([NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)[C@@H]1CCCO1 ZINC000775344049 738085705 /nfs/dbraw/zinc/08/57/05/738085705.db2.gz CEILYFONVBYBAQ-ZFWWWQNUSA-N 1 2 351.237 2.845 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)CCN1CC(F)(F)F ZINC000930135024 739063292 /nfs/dbraw/zinc/06/32/92/739063292.db2.gz YNPPOWZLHWCLED-BDAKNGLRSA-N 1 2 358.273 2.503 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)CCN1CC(F)(F)F ZINC000930135024 739063295 /nfs/dbraw/zinc/06/32/95/739063295.db2.gz YNPPOWZLHWCLED-BDAKNGLRSA-N 1 2 358.273 2.503 20 30 FFEDLO C#CC1(O)CC[NH+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000931143696 739218744 /nfs/dbraw/zinc/21/87/44/739218744.db2.gz TZYJQOHQQLYZGZ-UHFFFAOYSA-N 1 2 351.328 2.716 20 30 FFEDLO Clc1c(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)cnn1Cc1ccccc1 ZINC000789033534 739310054 /nfs/dbraw/zinc/31/00/54/739310054.db2.gz IWXDBEWJBRKZCO-HOTGVXAUSA-N 1 2 356.861 2.779 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cccc(Br)c2)n1 ZINC000789324344 739337834 /nfs/dbraw/zinc/33/78/34/739337834.db2.gz JKAXGUYNLVJNEM-UHFFFAOYSA-N 1 2 362.271 2.927 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cccc(Br)c2)n1 ZINC000789324344 739337836 /nfs/dbraw/zinc/33/78/36/739337836.db2.gz JKAXGUYNLVJNEM-UHFFFAOYSA-N 1 2 362.271 2.927 20 30 FFEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)Nc2sccc2C#N)CC1 ZINC000931834856 739337923 /nfs/dbraw/zinc/33/79/23/739337923.db2.gz WEZCIRRIMCIOAL-UHFFFAOYSA-N 1 2 364.471 2.547 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933396224 739615130 /nfs/dbraw/zinc/61/51/30/739615130.db2.gz JMCAQSBJDZXHOW-NSHDSACASA-N 1 2 356.451 2.668 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933396224 739615133 /nfs/dbraw/zinc/61/51/33/739615133.db2.gz JMCAQSBJDZXHOW-NSHDSACASA-N 1 2 356.451 2.668 20 30 FFEDLO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cn2nc(CC#N)n(C)c2=S)c1 ZINC000794629168 739912625 /nfs/dbraw/zinc/91/26/25/739912625.db2.gz SLVIMZLLMWWKBG-MRXNPFEDSA-N 1 2 356.499 2.878 20 30 FFEDLO CN(C)c1cccc([C@H]2CCC[N@H+]2Cn2nc(CC#N)n(C)c2=S)c1 ZINC000794629168 739912628 /nfs/dbraw/zinc/91/26/28/739912628.db2.gz SLVIMZLLMWWKBG-MRXNPFEDSA-N 1 2 356.499 2.878 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncc(C)s1 ZINC000960927200 740628958 /nfs/dbraw/zinc/62/89/58/740628958.db2.gz KJIJPINNDKESAO-BQFCYCMXSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncc(C)s1 ZINC000960927200 740628961 /nfs/dbraw/zinc/62/89/61/740628961.db2.gz KJIJPINNDKESAO-BQFCYCMXSA-N 1 2 363.527 2.856 20 30 FFEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000801915163 740663001 /nfs/dbraw/zinc/66/30/01/740663001.db2.gz OGCZMNYRYHZEJU-GFCCVEGCSA-N 1 2 356.253 2.680 20 30 FFEDLO C#CCCS(=O)(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000808305328 741209415 /nfs/dbraw/zinc/20/94/15/741209415.db2.gz PJTIVDYWYWICHY-CVEARBPZSA-N 1 2 358.866 2.557 20 30 FFEDLO C#CCCS(=O)(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000808305328 741209421 /nfs/dbraw/zinc/20/94/21/741209421.db2.gz PJTIVDYWYWICHY-CVEARBPZSA-N 1 2 358.866 2.557 20 30 FFEDLO C#C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000811963363 741579325 /nfs/dbraw/zinc/57/93/25/741579325.db2.gz LJVUZTHNTJGHIQ-QGTPRVQTSA-N 1 2 361.873 2.519 20 30 FFEDLO CCC(=[NH+]Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)c(N)c1 ZINC000814681001 741857223 /nfs/dbraw/zinc/85/72/23/741857223.db2.gz RYUKAPNRCDLVRU-UHFFFAOYSA-N 1 2 352.847 2.796 20 30 FFEDLO N#C[C@H]1CC[C@@H]([NH+]2CCC(O)(c3scnc3Br)CC2)C1 ZINC000815105109 741901773 /nfs/dbraw/zinc/90/17/73/741901773.db2.gz CUGDJAWOENVOBX-WDEREUQCSA-N 1 2 356.289 2.881 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2cccc(Cl)n2)CC1 ZINC001001162783 742109702 /nfs/dbraw/zinc/10/97/02/742109702.db2.gz HJHHOFOOUAZGJG-SJORKVTESA-N 1 2 361.873 2.574 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2cccc(Cl)n2)CC1 ZINC001001162783 742109703 /nfs/dbraw/zinc/10/97/03/742109703.db2.gz HJHHOFOOUAZGJG-SJORKVTESA-N 1 2 361.873 2.574 20 30 FFEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)nn1 ZINC000818347754 742265720 /nfs/dbraw/zinc/26/57/20/742265720.db2.gz VHVFXHADQKEWIF-AWEZNQCLSA-N 1 2 361.877 2.805 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001008841114 742409645 /nfs/dbraw/zinc/40/96/45/742409645.db2.gz PRKCBXWEXOYYCI-BQFCYCMXSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001008841114 742409648 /nfs/dbraw/zinc/40/96/48/742409648.db2.gz PRKCBXWEXOYYCI-BQFCYCMXSA-N 1 2 363.889 2.797 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(NS(C)(=O)=O)cc1 ZINC000820629415 742529684 /nfs/dbraw/zinc/52/96/84/742529684.db2.gz JWPLSHFOEUNTJD-UHFFFAOYSA-N 1 2 359.451 2.857 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001028144126 742786113 /nfs/dbraw/zinc/78/61/13/742786113.db2.gz VZUBMGMUCMXDTK-AYBZRNKSSA-N 1 2 360.885 2.697 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC001028144126 742786118 /nfs/dbraw/zinc/78/61/18/742786118.db2.gz VZUBMGMUCMXDTK-AYBZRNKSSA-N 1 2 360.885 2.697 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(C)s1 ZINC001029311928 742809037 /nfs/dbraw/zinc/80/90/37/742809037.db2.gz IAXFBXSUOVAWCK-ATLSCFEFSA-N 1 2 361.511 2.608 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(C)s1 ZINC001029311928 742809047 /nfs/dbraw/zinc/80/90/47/742809047.db2.gz IAXFBXSUOVAWCK-ATLSCFEFSA-N 1 2 361.511 2.608 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccns1 ZINC001029508918 742812704 /nfs/dbraw/zinc/81/27/04/742812704.db2.gz UALMOZZXHWYSDH-MVJTYMMSSA-N 1 2 361.511 2.690 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccns1 ZINC001029508918 742812712 /nfs/dbraw/zinc/81/27/12/742812712.db2.gz UALMOZZXHWYSDH-MVJTYMMSSA-N 1 2 361.511 2.690 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001033489793 742892831 /nfs/dbraw/zinc/89/28/31/742892831.db2.gz AHZHCHSHJSZEAE-RYRKJORJSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001033489793 742892836 /nfs/dbraw/zinc/89/28/36/742892836.db2.gz AHZHCHSHJSZEAE-RYRKJORJSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001033497343 742895833 /nfs/dbraw/zinc/89/58/33/742895833.db2.gz MBNHZYUIAFDPSJ-RYRKJORJSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001033497343 742895840 /nfs/dbraw/zinc/89/58/40/742895840.db2.gz MBNHZYUIAFDPSJ-RYRKJORJSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](C/C(Cl)=C/Cl)C2)C1 ZINC001041696247 743050596 /nfs/dbraw/zinc/05/05/96/743050596.db2.gz MPVWMNZQXOSYKH-UHBALQPGSA-N 1 2 359.297 2.821 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](C/C(Cl)=C/Cl)C2)C1 ZINC001041696247 743050602 /nfs/dbraw/zinc/05/06/02/743050602.db2.gz MPVWMNZQXOSYKH-UHBALQPGSA-N 1 2 359.297 2.821 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000824872673 743168877 /nfs/dbraw/zinc/16/88/77/743168877.db2.gz WCIKRIOVSKYQCH-UHFFFAOYSA-N 1 2 367.243 2.742 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cscn1 ZINC001049777455 743487277 /nfs/dbraw/zinc/48/72/77/743487277.db2.gz ICDZYUUBSOSPHS-FJIDUMEYSA-N 1 2 361.511 2.690 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cscn1 ZINC001049777455 743487283 /nfs/dbraw/zinc/48/72/83/743487283.db2.gz ICDZYUUBSOSPHS-FJIDUMEYSA-N 1 2 361.511 2.690 20 30 FFEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001051082034 743553293 /nfs/dbraw/zinc/55/32/93/743553293.db2.gz QJWFJNAWTOROAY-BFHYXJOUSA-N 1 2 354.903 2.898 20 30 FFEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001051082034 743553295 /nfs/dbraw/zinc/55/32/95/743553295.db2.gz QJWFJNAWTOROAY-BFHYXJOUSA-N 1 2 354.903 2.898 20 30 FFEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)CC1 ZINC001052031324 743572103 /nfs/dbraw/zinc/57/21/03/743572103.db2.gz JXRQMWLRYRDOLE-YDZRNGNQSA-N 1 2 363.933 2.560 20 30 FFEDLO C#CCN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000827608449 743623267 /nfs/dbraw/zinc/62/32/67/743623267.db2.gz NFVRVWGCIGMQGZ-CQSZACIVSA-N 1 2 374.238 2.700 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000830130334 745312809 /nfs/dbraw/zinc/31/28/09/745312809.db2.gz UFYYYOUAEYIVRB-GFCCVEGCSA-N 1 2 364.243 2.595 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000830130334 745312813 /nfs/dbraw/zinc/31/28/13/745312813.db2.gz UFYYYOUAEYIVRB-GFCCVEGCSA-N 1 2 364.243 2.595 20 30 FFEDLO COc1ccc(C[N@H+](C)Cn2cc3c(c(C#N)c2=O)CCC3)cc1Cl ZINC000840184404 747031344 /nfs/dbraw/zinc/03/13/44/747031344.db2.gz RDGBIASNGBKTNK-UHFFFAOYSA-N 1 2 357.841 2.960 20 30 FFEDLO COc1ccc(C[N@@H+](C)Cn2cc3c(c(C#N)c2=O)CCC3)cc1Cl ZINC000840184404 747031349 /nfs/dbraw/zinc/03/13/49/747031349.db2.gz RDGBIASNGBKTNK-UHFFFAOYSA-N 1 2 357.841 2.960 20 30 FFEDLO COc1cc(C2SCCS2)ccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000840752165 747173162 /nfs/dbraw/zinc/17/31/62/747173162.db2.gz BAZRGBOJKTUIAF-CQSZACIVSA-N 1 2 368.524 2.759 20 30 FFEDLO COc1cc(C2SCCS2)ccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000840752165 747173166 /nfs/dbraw/zinc/17/31/66/747173166.db2.gz BAZRGBOJKTUIAF-CQSZACIVSA-N 1 2 368.524 2.759 20 30 FFEDLO NC(=NOC[C@@H]1CCC(F)(F)C1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000842023260 747503327 /nfs/dbraw/zinc/50/33/27/747503327.db2.gz AULILYYTQCNQBM-OAHLLOKOSA-N 1 2 353.413 2.591 20 30 FFEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000852751846 749943866 /nfs/dbraw/zinc/94/38/66/749943866.db2.gz HVODBIKGAJAPTC-UHFFFAOYSA-N 1 2 359.495 2.799 20 30 FFEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000852751846 749943875 /nfs/dbraw/zinc/94/38/75/749943875.db2.gz HVODBIKGAJAPTC-UHFFFAOYSA-N 1 2 359.495 2.799 20 30 FFEDLO Cc1[nH+]cc(C=NN2C(=S)N=NC2COc2c(C)cccc2C)n1C ZINC000853283981 750043100 /nfs/dbraw/zinc/04/31/00/750043100.db2.gz KGUUMCRSBLRFCF-UHFFFAOYSA-N 1 2 356.455 2.687 20 30 FFEDLO C=CC[N@H+](CN1C(=O)C[C@](C)(c2ccc(Cl)cc2)C1=O)[C@H](C)COC ZINC000853533686 750085517 /nfs/dbraw/zinc/08/55/17/750085517.db2.gz AHLZWGFLXHSJQO-AUUYWEPGSA-N 1 2 364.873 2.837 20 30 FFEDLO C=CC[N@@H+](CN1C(=O)C[C@](C)(c2ccc(Cl)cc2)C1=O)[C@H](C)COC ZINC000853533686 750085525 /nfs/dbraw/zinc/08/55/25/750085525.db2.gz AHLZWGFLXHSJQO-AUUYWEPGSA-N 1 2 364.873 2.837 20 30 FFEDLO C=CC[N@H+](Cn1c2cc(Br)ccc2oc1=O)[C@H](C)COC ZINC000853533891 750085647 /nfs/dbraw/zinc/08/56/47/750085647.db2.gz CVYZGQFOIOREJR-LLVKDONJSA-N 1 2 355.232 2.837 20 30 FFEDLO C=CC[N@@H+](Cn1c2cc(Br)ccc2oc1=O)[C@H](C)COC ZINC000853533891 750085653 /nfs/dbraw/zinc/08/56/53/750085653.db2.gz CVYZGQFOIOREJR-LLVKDONJSA-N 1 2 355.232 2.837 20 30 FFEDLO C#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000854683595 750351645 /nfs/dbraw/zinc/35/16/45/750351645.db2.gz RLNRIUCMKLGITC-RBSFLKMASA-N 1 2 358.239 2.777 20 30 FFEDLO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc(Br)ccc3C#N)CC[C@@H]21 ZINC001141907793 971674386 /nfs/dbraw/zinc/67/43/86/971674386.db2.gz OILROSNTGMGKGC-CJNGLKHVSA-N 1 2 362.271 2.763 20 30 FFEDLO CN1C(=O)CC[C@@H]2C[N@H+](Cc3cc(Br)ccc3C#N)CC[C@@H]21 ZINC001141907793 971674389 /nfs/dbraw/zinc/67/43/89/971674389.db2.gz OILROSNTGMGKGC-CJNGLKHVSA-N 1 2 362.271 2.763 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001059440739 971715650 /nfs/dbraw/zinc/71/56/50/971715650.db2.gz GLQGXUHJAFGZNT-VQHPVUNQSA-N 1 2 358.486 2.949 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cnc2ccc(Cl)cn12 ZINC001275877390 1013126330 /nfs/dbraw/zinc/12/63/30/1013126330.db2.gz AVXIMPOABJLPNY-IBGZPJMESA-N 1 2 356.857 2.578 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cnc2ccc(Cl)cn12 ZINC001275877390 1013126336 /nfs/dbraw/zinc/12/63/36/1013126336.db2.gz AVXIMPOABJLPNY-IBGZPJMESA-N 1 2 356.857 2.578 20 30 FFEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)OCc3ccccc3)CC2)cc1 ZINC000160270854 959882479 /nfs/dbraw/zinc/88/24/79/959882479.db2.gz IIZQWHQGCQPSIQ-FQEVSTJZSA-N 1 2 365.433 2.546 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cncc(F)c2)C3)c(F)c1 ZINC001095302422 1013198140 /nfs/dbraw/zinc/19/81/40/1013198140.db2.gz JADPZCBIHQFOBV-NEWSRXKRSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cncc(F)c2)C3)c(F)c1 ZINC001095302422 1013198144 /nfs/dbraw/zinc/19/81/44/1013198144.db2.gz JADPZCBIHQFOBV-NEWSRXKRSA-N 1 2 368.387 2.767 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cccc(F)c2F)C1 ZINC000970571545 961735544 /nfs/dbraw/zinc/73/55/44/961735544.db2.gz LYOQSZNIPNSQSD-AZOIQLNYSA-N 1 2 364.436 2.883 20 30 FFEDLO COc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)sn1 ZINC001095434823 1013354660 /nfs/dbraw/zinc/35/46/60/1013354660.db2.gz BEBZJIZIPRSUNG-PMPSAXMXSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2)sn1 ZINC001095434823 1013354670 /nfs/dbraw/zinc/35/46/70/1013354670.db2.gz BEBZJIZIPRSUNG-PMPSAXMXSA-N 1 2 368.462 2.559 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C[C@@H](C)n4cc[nH+]c4)[C@@H]3C2)CC1 ZINC001021663028 962876043 /nfs/dbraw/zinc/87/60/43/962876043.db2.gz SMXYWEQHJSDLRM-NZSAHSFTSA-N 1 2 370.497 2.640 20 30 FFEDLO C[N@H+](Cc1cnn(-c2ccccc2)c1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000126118632 963370232 /nfs/dbraw/zinc/37/02/32/963370232.db2.gz VDYCGFPLXDEAQF-NRFANRHFSA-N 1 2 371.444 2.981 20 30 FFEDLO C[N@@H+](Cc1cnn(-c2ccccc2)c1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000126118632 963370244 /nfs/dbraw/zinc/37/02/44/963370244.db2.gz VDYCGFPLXDEAQF-NRFANRHFSA-N 1 2 371.444 2.981 20 30 FFEDLO CCn1c[nH+]c2c1CCN(CC(=O)N(CCC#N)c1ccc(C)c(C)c1)C2 ZINC000933261981 963767825 /nfs/dbraw/zinc/76/78/25/963767825.db2.gz LMVDDOWJOSFQES-UHFFFAOYSA-N 1 2 365.481 2.825 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971556676 964160428 /nfs/dbraw/zinc/16/04/28/964160428.db2.gz UJBHZXCTWWBCFE-AQNXPRMDSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971556676 964160438 /nfs/dbraw/zinc/16/04/38/964160438.db2.gz UJBHZXCTWWBCFE-AQNXPRMDSA-N 1 2 371.456 2.711 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000051180192 964282962 /nfs/dbraw/zinc/28/29/62/964282962.db2.gz KYHDEVGYXNLALM-LJQANCHMSA-N 1 2 361.367 2.831 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1F ZINC001111489472 964363860 /nfs/dbraw/zinc/36/38/60/964363860.db2.gz AIMVNOLUABXTKR-JFOHDYCDSA-N 1 2 350.409 2.777 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1F ZINC001111489472 964363866 /nfs/dbraw/zinc/36/38/66/964363866.db2.gz AIMVNOLUABXTKR-JFOHDYCDSA-N 1 2 350.409 2.777 20 30 FFEDLO N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4c(F)cccc4F)C[C@H]32)c[nH]1 ZINC001075709226 964367950 /nfs/dbraw/zinc/36/79/50/964367950.db2.gz BQQREVWZZMAIQY-KPZWWZAWSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4c(F)cccc4F)C[C@H]32)c[nH]1 ZINC001075709226 964367963 /nfs/dbraw/zinc/36/79/63/964367963.db2.gz BQQREVWZZMAIQY-KPZWWZAWSA-N 1 2 356.376 2.511 20 30 FFEDLO Cc1nc(C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4Cl)C[C@H]32)co1 ZINC001075723632 964607374 /nfs/dbraw/zinc/60/73/74/964607374.db2.gz YPKJOHMLQHEDNQ-QFBILLFUSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1nc(C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4Cl)C[C@H]32)co1 ZINC001075723632 964607382 /nfs/dbraw/zinc/60/73/82/964607382.db2.gz YPKJOHMLQHEDNQ-QFBILLFUSA-N 1 2 369.852 2.834 20 30 FFEDLO CC(C)[C@H](C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)N1CCCC1=O ZINC000328877411 964972073 /nfs/dbraw/zinc/97/20/73/964972073.db2.gz IOWFQOIYIQBFML-LJQANCHMSA-N 1 2 359.470 2.754 20 30 FFEDLO CC#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C(C)(F)F)C1 ZINC001087472769 965463551 /nfs/dbraw/zinc/46/35/51/965463551.db2.gz WEZVBUAFIVTPGV-IRXDYDNUSA-N 1 2 350.409 2.648 20 30 FFEDLO CC#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C(C)(F)F)C1 ZINC001087472769 965463560 /nfs/dbraw/zinc/46/35/60/965463560.db2.gz WEZVBUAFIVTPGV-IRXDYDNUSA-N 1 2 350.409 2.648 20 30 FFEDLO CSc1ccccc1C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001270747618 965865190 /nfs/dbraw/zinc/86/51/90/965865190.db2.gz CNPAFGYKWMKHRI-UHFFFAOYSA-N 1 2 366.490 2.577 20 30 FFEDLO C=CCN1CC[C@@]2(CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1=O ZINC001270757657 965883116 /nfs/dbraw/zinc/88/31/16/965883116.db2.gz LNHKOFPARNLXFD-FQEVSTJZSA-N 1 2 352.438 2.594 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCc3nc[nH]c3C23CCCCC3)c1 ZINC001176115284 1013634313 /nfs/dbraw/zinc/63/43/13/1013634313.db2.gz VQSUWBISEDTPEN-UHFFFAOYSA-N 1 2 363.465 2.615 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCc3nc[nH]c3C23CCCCC3)c1 ZINC001176115284 1013634316 /nfs/dbraw/zinc/63/43/16/1013634316.db2.gz VQSUWBISEDTPEN-UHFFFAOYSA-N 1 2 363.465 2.615 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@@H](CCC)C(=O)N2CCc3sccc3C2)nn1 ZINC000657344229 966237923 /nfs/dbraw/zinc/23/79/23/966237923.db2.gz ZLUYAULYRYKEAY-KRWDZBQOSA-N 1 2 373.526 2.759 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C[C@@H](C)n4cc[nH+]c4)[C@@H]3C2)CC1 ZINC000972182497 966477012 /nfs/dbraw/zinc/47/70/12/966477012.db2.gz KSGNBANDTXXGIX-BHIYHBOVSA-N 1 2 370.497 2.640 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC000972295869 966691440 /nfs/dbraw/zinc/69/14/40/966691440.db2.gz LBZUKAHGWRIEDF-IAGOWNOFSA-N 1 2 366.465 2.528 20 30 FFEDLO C#CCNC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000161347556 966726372 /nfs/dbraw/zinc/72/63/72/966726372.db2.gz YZXGUNHPAJEZDR-UHFFFAOYSA-N 1 2 358.401 2.547 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cnn(C)c2C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087504355 967303284 /nfs/dbraw/zinc/30/32/84/967303284.db2.gz BBNVDYKBEOSQLF-RBUKOAKNSA-N 1 2 369.444 2.522 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cnn(C)c2C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087504355 967303295 /nfs/dbraw/zinc/30/32/95/967303295.db2.gz BBNVDYKBEOSQLF-RBUKOAKNSA-N 1 2 369.444 2.522 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C)n[nH]2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087512699 967527471 /nfs/dbraw/zinc/52/74/71/967527471.db2.gz GHELXGRTYNCAAE-FUHWJXTLSA-N 1 2 355.417 2.512 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C)n[nH]2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087512699 967527476 /nfs/dbraw/zinc/52/74/76/967527476.db2.gz GHELXGRTYNCAAE-FUHWJXTLSA-N 1 2 355.417 2.512 20 30 FFEDLO C[C@H]1CN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000329351205 967658734 /nfs/dbraw/zinc/65/87/34/967658734.db2.gz UBQKHARBCWIERJ-DDUZABMNSA-N 1 2 373.501 2.649 20 30 FFEDLO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2c2ccccc2)o1 ZINC001211596756 967686188 /nfs/dbraw/zinc/68/61/88/967686188.db2.gz OETMIAJIQXHBJU-ZWKOTPCHSA-N 1 2 366.465 2.512 20 30 FFEDLO C[C@H](CNC(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1)[NH+]1CCOCC1 ZINC000329455778 967728035 /nfs/dbraw/zinc/72/80/35/967728035.db2.gz PYARYBHGYKBQEE-DNVCBOLYSA-N 1 2 361.461 2.986 20 30 FFEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[C@@H]3c3ccccc3)C2)C1 ZINC000972560592 967786259 /nfs/dbraw/zinc/78/62/59/967786259.db2.gz CSKWQOAORVBTCI-XPNTWCBSSA-N 1 2 366.505 2.897 20 30 FFEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[C@@H]3c3ccccc3)C2)C1 ZINC000972560592 967786269 /nfs/dbraw/zinc/78/62/69/967786269.db2.gz CSKWQOAORVBTCI-XPNTWCBSSA-N 1 2 366.505 2.897 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cnn(C(C)C)c2)Cc2nnn(CC3CC3)c21 ZINC001137076697 1013751239 /nfs/dbraw/zinc/75/12/39/1013751239.db2.gz OMILGRHZMGEQLR-SFHVURJKSA-N 1 2 370.501 2.768 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](Cc2cnn(C(C)C)c2)Cc2nnn(CC3CC3)c21 ZINC001137076697 1013751248 /nfs/dbraw/zinc/75/12/48/1013751248.db2.gz OMILGRHZMGEQLR-SFHVURJKSA-N 1 2 370.501 2.768 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001211610735 967946264 /nfs/dbraw/zinc/94/62/64/967946264.db2.gz FUKIYTBKJXMYOS-ZWKOTPCHSA-N 1 2 354.454 2.819 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cc2cccnc2C)[C@H]1CC ZINC001087724434 968734226 /nfs/dbraw/zinc/73/42/26/968734226.db2.gz OWOLBXMFJWLCNK-JKSUJKDBSA-N 1 2 366.303 2.810 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cc2cccnc2C)[C@H]1CC ZINC001087724434 968734230 /nfs/dbraw/zinc/73/42/30/968734230.db2.gz OWOLBXMFJWLCNK-JKSUJKDBSA-N 1 2 366.303 2.810 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2nccs2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001087771970 968986420 /nfs/dbraw/zinc/98/64/20/968986420.db2.gz JXOJCRVBMYRZTQ-JKSUJKDBSA-N 1 2 358.442 2.937 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2nccs2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001087771970 968986430 /nfs/dbraw/zinc/98/64/30/968986430.db2.gz JXOJCRVBMYRZTQ-JKSUJKDBSA-N 1 2 358.442 2.937 20 30 FFEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000685767760 969119627 /nfs/dbraw/zinc/11/96/27/969119627.db2.gz RWUAWGMIYQDQTP-UHFFFAOYSA-N 1 2 352.438 2.716 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ncoc1C(C)C ZINC001024661280 969235428 /nfs/dbraw/zinc/23/54/28/969235428.db2.gz BPVIPJRHDBESBB-JZXOWHBKSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ncoc1C(C)C ZINC001024661280 969235432 /nfs/dbraw/zinc/23/54/32/969235432.db2.gz BPVIPJRHDBESBB-JZXOWHBKSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cncc(F)c1 ZINC001024707616 969268987 /nfs/dbraw/zinc/26/89/87/969268987.db2.gz PCWXVMDHMQYSOZ-FHWLQOOXSA-N 1 2 361.461 2.673 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cncc(F)c1 ZINC001024707616 969268997 /nfs/dbraw/zinc/26/89/97/969268997.db2.gz PCWXVMDHMQYSOZ-FHWLQOOXSA-N 1 2 361.461 2.673 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3oc4c(cccc4C)c3C)[C@H]2C1 ZINC001083284641 970359297 /nfs/dbraw/zinc/35/92/97/970359297.db2.gz GRBCDQSFAOTHKB-ZWKOTPCHSA-N 1 2 352.434 2.598 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3oc4c(cccc4C)c3C)[C@H]2C1 ZINC001083284641 970359311 /nfs/dbraw/zinc/35/93/11/970359311.db2.gz GRBCDQSFAOTHKB-ZWKOTPCHSA-N 1 2 352.434 2.598 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cncnc2CC)[C@H]1CC ZINC001087831870 970472143 /nfs/dbraw/zinc/47/21/43/970472143.db2.gz JYZRGVCOARIKDD-LSDHHAIUSA-N 1 2 367.291 2.530 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cncnc2CC)[C@H]1CC ZINC001087831870 970472149 /nfs/dbraw/zinc/47/21/49/970472149.db2.gz JYZRGVCOARIKDD-LSDHHAIUSA-N 1 2 367.291 2.530 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000895408439 970593109 /nfs/dbraw/zinc/59/31/09/970593109.db2.gz UWVYRSNDTJGQDC-LJQANCHMSA-N 1 2 353.466 2.552 20 30 FFEDLO N#Cc1cccc([C@@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)C(F)(F)F)c1 ZINC000875511805 1014037213 /nfs/dbraw/zinc/03/72/13/1014037213.db2.gz XFPFWBLZUXSFPX-DZGCQCFKSA-N 1 2 363.343 2.672 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000875918577 1014095524 /nfs/dbraw/zinc/09/55/24/1014095524.db2.gz TZWQNYKMDUYJOI-HOJAQTOUSA-N 1 2 366.465 2.839 20 30 FFEDLO N#Cc1csc(CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000897289274 974009405 /nfs/dbraw/zinc/00/94/05/974009405.db2.gz ONIXRMLAQPVOOS-QPJJXVBHSA-N 1 2 367.478 2.555 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000125457968 974317706 /nfs/dbraw/zinc/31/77/06/974317706.db2.gz IZJYGEGLLBYENE-ZDUSSCGKSA-N 1 2 359.401 2.543 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC001027586007 974929923 /nfs/dbraw/zinc/92/99/23/974929923.db2.gz UYSXNMPSMCMRQH-BBWFWOEESA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC001027586007 974929926 /nfs/dbraw/zinc/92/99/26/974929926.db2.gz UYSXNMPSMCMRQH-BBWFWOEESA-N 1 2 361.486 2.812 20 30 FFEDLO CS[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075573256 975001068 /nfs/dbraw/zinc/00/10/68/975001068.db2.gz HWRWGEIQNYRXAH-UWWQBHOKSA-N 1 2 362.926 2.976 20 30 FFEDLO CS[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075573256 975001073 /nfs/dbraw/zinc/00/10/73/975001073.db2.gz HWRWGEIQNYRXAH-UWWQBHOKSA-N 1 2 362.926 2.976 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1coc(C2CC2)n1 ZINC001027887920 975682655 /nfs/dbraw/zinc/68/26/55/975682655.db2.gz AIZZBEUMDUPELS-KSZLIROESA-N 1 2 359.470 2.614 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1coc(C2CC2)n1 ZINC001027887920 975682660 /nfs/dbraw/zinc/68/26/60/975682660.db2.gz AIZZBEUMDUPELS-KSZLIROESA-N 1 2 359.470 2.614 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2nc3c(s2)CCC3)CC[N@@H+]1Cc1ccccc1C#N ZINC001088747009 975718877 /nfs/dbraw/zinc/71/88/77/975718877.db2.gz FJZXNPXMWUNDLM-CJNGLKHVSA-N 1 2 366.490 2.896 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2nc3c(s2)CCC3)CC[N@H+]1Cc1ccccc1C#N ZINC001088747009 975718885 /nfs/dbraw/zinc/71/88/85/975718885.db2.gz FJZXNPXMWUNDLM-CJNGLKHVSA-N 1 2 366.490 2.896 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)on2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088778798 976136887 /nfs/dbraw/zinc/13/68/87/976136887.db2.gz WEHWSAWEXIGHBD-DYVFJYSZSA-N 1 2 350.422 2.816 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)on2)CC[N@H+]1Cc1ccccc1C#N ZINC001088778798 976136891 /nfs/dbraw/zinc/13/68/91/976136891.db2.gz WEHWSAWEXIGHBD-DYVFJYSZSA-N 1 2 350.422 2.816 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001028041443 976318168 /nfs/dbraw/zinc/31/81/68/976318168.db2.gz ADIYPYLXAHGGQG-QRVBRYPASA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001028041443 976318181 /nfs/dbraw/zinc/31/81/81/976318181.db2.gz ADIYPYLXAHGGQG-QRVBRYPASA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000981372545 976498244 /nfs/dbraw/zinc/49/82/44/976498244.db2.gz WWDOAQFBVJWKBD-APWZRJJASA-N 1 2 359.445 2.547 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000981372545 976498252 /nfs/dbraw/zinc/49/82/52/976498252.db2.gz WWDOAQFBVJWKBD-APWZRJJASA-N 1 2 359.445 2.547 20 30 FFEDLO Cc1ocnc1C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075599170 976633201 /nfs/dbraw/zinc/63/32/01/976633201.db2.gz SUXPKNJESBCKRW-FUHWJXTLSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1ocnc1C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075599170 976633208 /nfs/dbraw/zinc/63/32/08/976633208.db2.gz SUXPKNJESBCKRW-FUHWJXTLSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1ncc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)s1 ZINC001075603639 976970083 /nfs/dbraw/zinc/97/00/83/976970083.db2.gz BDAHXHVLIGMTAF-DOTOQJQBSA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1ncc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)s1 ZINC001075603639 976970091 /nfs/dbraw/zinc/97/00/91/976970091.db2.gz BDAHXHVLIGMTAF-DOTOQJQBSA-N 1 2 370.453 2.809 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)nn1 ZINC000653563348 1014376564 /nfs/dbraw/zinc/37/65/64/1014376564.db2.gz HVUZHYHODQAKAO-UHFFFAOYSA-N 1 2 367.497 2.691 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2cc(F)cc(F)c2)CC1 ZINC000982173243 977323282 /nfs/dbraw/zinc/32/32/82/977323282.db2.gz JFVGCVCJFCUHML-OALUTQOASA-N 1 2 364.436 2.980 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2cc(F)cc(F)c2)CC1 ZINC000982173243 977323288 /nfs/dbraw/zinc/32/32/88/977323288.db2.gz JFVGCVCJFCUHML-OALUTQOASA-N 1 2 364.436 2.980 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2c(C)noc2CC)C1 ZINC001087443362 977588455 /nfs/dbraw/zinc/58/84/55/977588455.db2.gz IYEKYXOMLVJJSE-QZTJIDSGSA-N 1 2 351.450 2.767 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2c(C)noc2CC)C1 ZINC001087443362 977588463 /nfs/dbraw/zinc/58/84/63/977588463.db2.gz IYEKYXOMLVJJSE-QZTJIDSGSA-N 1 2 351.450 2.767 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cc(C)no2)C1 ZINC001087452260 977707256 /nfs/dbraw/zinc/70/72/56/977707256.db2.gz KMRZBVAXOCRQHU-QZTJIDSGSA-N 1 2 355.413 2.733 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cc(C)no2)C1 ZINC001087452260 977707261 /nfs/dbraw/zinc/70/72/61/977707261.db2.gz KMRZBVAXOCRQHU-QZTJIDSGSA-N 1 2 355.413 2.733 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ncoc2C2CC2)C1 ZINC001087459651 977980061 /nfs/dbraw/zinc/98/00/61/977980061.db2.gz PVODGMLZRRTIEA-QZTJIDSGSA-N 1 2 367.424 2.912 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ncoc2C2CC2)C1 ZINC001087459651 977980066 /nfs/dbraw/zinc/98/00/66/977980066.db2.gz PVODGMLZRRTIEA-QZTJIDSGSA-N 1 2 367.424 2.912 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)[C@@H]2C1 ZINC001075657164 978141627 /nfs/dbraw/zinc/14/16/27/978141627.db2.gz NOTMVRYDXALTBL-IGGMLHCZSA-N 1 2 353.441 2.776 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)[C@@H]2C1 ZINC001075657164 978141632 /nfs/dbraw/zinc/14/16/32/978141632.db2.gz NOTMVRYDXALTBL-IGGMLHCZSA-N 1 2 353.441 2.776 20 30 FFEDLO CCCCCCCCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)NCCS(C)(=O)=O ZINC001279869532 978318187 /nfs/dbraw/zinc/31/81/87/978318187.db2.gz HLWRYUBKQHFHKT-PKOBYXMFSA-N 1 2 372.575 2.752 20 30 FFEDLO CCCCCCCCCC[N@H+]1CC[C@H]2C[C@]21C(=O)NCCS(C)(=O)=O ZINC001279869532 978318194 /nfs/dbraw/zinc/31/81/94/978318194.db2.gz HLWRYUBKQHFHKT-PKOBYXMFSA-N 1 2 372.575 2.752 20 30 FFEDLO Cc1coc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)c1 ZINC001076155082 979170638 /nfs/dbraw/zinc/17/06/38/979170638.db2.gz OJNHTGIOTNEVDW-FUHWJXTLSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1coc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)c1 ZINC001076155082 979170640 /nfs/dbraw/zinc/17/06/40/979170640.db2.gz OJNHTGIOTNEVDW-FUHWJXTLSA-N 1 2 353.397 2.945 20 30 FFEDLO CCc1nocc1C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001076216362 979238963 /nfs/dbraw/zinc/23/89/63/979238963.db2.gz WKDRXZLVIZJKHQ-OXJNMPFZSA-N 1 2 367.424 2.574 20 30 FFEDLO CCc1nocc1C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001076216362 979238970 /nfs/dbraw/zinc/23/89/70/979238970.db2.gz WKDRXZLVIZJKHQ-OXJNMPFZSA-N 1 2 367.424 2.574 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C(F)(F)F)n3)[C@@H]2C1 ZINC001076391020 979449692 /nfs/dbraw/zinc/44/96/92/979449692.db2.gz ZLSHVXXXVNIZKR-WCQYABFASA-N 1 2 359.779 2.999 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C(F)(F)F)n3)[C@@H]2C1 ZINC001076391020 979449695 /nfs/dbraw/zinc/44/96/95/979449695.db2.gz ZLSHVXXXVNIZKR-WCQYABFASA-N 1 2 359.779 2.999 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(OC)c(C)c(OC)c3)[C@@H]2C1 ZINC001076540464 979635943 /nfs/dbraw/zinc/63/59/43/979635943.db2.gz NSVXXDKEOFBLPS-GOEBONIOSA-N 1 2 364.873 2.911 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(OC)c(C)c(OC)c3)[C@@H]2C1 ZINC001076540464 979635945 /nfs/dbraw/zinc/63/59/45/979635945.db2.gz NSVXXDKEOFBLPS-GOEBONIOSA-N 1 2 364.873 2.911 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cscn3)[C@@H]2C1 ZINC001076627945 979731216 /nfs/dbraw/zinc/73/12/16/979731216.db2.gz MLCCOBBGSMKMQH-GXTWGEPZSA-N 1 2 370.316 2.517 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3cscn3)[C@@H]2C1 ZINC001076627945 979731223 /nfs/dbraw/zinc/73/12/23/979731223.db2.gz MLCCOBBGSMKMQH-GXTWGEPZSA-N 1 2 370.316 2.517 20 30 FFEDLO Cc1ccccc1[C@@H](O)C1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000796431809 1014616387 /nfs/dbraw/zinc/61/63/87/1014616387.db2.gz RZRVIQHIJPVQRU-RTWAWAEBSA-N 1 2 363.461 2.839 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001060176977 980127528 /nfs/dbraw/zinc/12/75/28/980127528.db2.gz KXJAHHJXISWJPY-KSZLIROESA-N 1 2 370.497 2.729 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1cc(O)ccc1Cl ZINC001088511513 980371822 /nfs/dbraw/zinc/37/18/22/980371822.db2.gz QSWGBXKSDIHUSG-BZNIZROVSA-N 1 2 358.829 2.638 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1cc(O)ccc1Cl ZINC001088511513 980371829 /nfs/dbraw/zinc/37/18/29/980371829.db2.gz QSWGBXKSDIHUSG-BZNIZROVSA-N 1 2 358.829 2.638 20 30 FFEDLO N#Cc1cc(F)ccc1N1CC[NH+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000877747208 1014706820 /nfs/dbraw/zinc/70/68/20/1014706820.db2.gz XHIUJAGYBLRSOJ-UHFFFAOYSA-N 1 2 362.412 2.600 20 30 FFEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907808057 981308016 /nfs/dbraw/zinc/30/80/16/981308016.db2.gz CYHJZKGJVINDFU-QFBILLFUSA-N 1 2 372.513 2.902 20 30 FFEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907808057 981308018 /nfs/dbraw/zinc/30/80/18/981308018.db2.gz CYHJZKGJVINDFU-QFBILLFUSA-N 1 2 372.513 2.902 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)n(C)n2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088607024 981448674 /nfs/dbraw/zinc/44/86/74/981448674.db2.gz AOCXBFQIWZXMQE-KDOFPFPSSA-N 1 2 363.465 2.562 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)n(C)n2)CC[N@H+]1Cc1ccccc1C#N ZINC001088607024 981448677 /nfs/dbraw/zinc/44/86/77/981448677.db2.gz AOCXBFQIWZXMQE-KDOFPFPSSA-N 1 2 363.465 2.562 20 30 FFEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001212009117 981453524 /nfs/dbraw/zinc/45/35/24/981453524.db2.gz LXWYKRMTRMSJIH-GDIGMMSISA-N 1 2 361.461 2.839 20 30 FFEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001212009117 981453526 /nfs/dbraw/zinc/45/35/26/981453526.db2.gz LXWYKRMTRMSJIH-GDIGMMSISA-N 1 2 361.461 2.839 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1Cc1ncc(CC)o1 ZINC000969027558 1014742867 /nfs/dbraw/zinc/74/28/67/1014742867.db2.gz GFZRTWWBOSVVSP-NXHRZFHOSA-N 1 2 361.486 2.689 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ncc(CC)o1 ZINC000969027558 1014742883 /nfs/dbraw/zinc/74/28/83/1014742883.db2.gz GFZRTWWBOSVVSP-NXHRZFHOSA-N 1 2 361.486 2.689 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(OC)c(OC)c2C)[C@H]1C ZINC001088649627 982152741 /nfs/dbraw/zinc/15/27/41/982152741.db2.gz MOOAYOPVNUVUHZ-HIFRSBDPSA-N 1 2 352.862 2.957 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(OC)c(OC)c2C)[C@H]1C ZINC001088649627 982152743 /nfs/dbraw/zinc/15/27/43/982152743.db2.gz MOOAYOPVNUVUHZ-HIFRSBDPSA-N 1 2 352.862 2.957 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+]2CCO[C@@H](c3ccnn3C)C2)ccc1OC ZINC000897558016 982247129 /nfs/dbraw/zinc/24/71/29/982247129.db2.gz DGUACEURDXREBO-HXUWFJFHSA-N 1 2 357.454 2.957 20 30 FFEDLO C=C(C)COc1cc(C[N@H+]2CCO[C@@H](c3ccnn3C)C2)ccc1OC ZINC000897558016 982247137 /nfs/dbraw/zinc/24/71/37/982247137.db2.gz DGUACEURDXREBO-HXUWFJFHSA-N 1 2 357.454 2.957 20 30 FFEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c(-c2ccncc2)n1 ZINC000897592477 982362192 /nfs/dbraw/zinc/36/21/92/982362192.db2.gz VLPFQJYXFPXBOT-HXUWFJFHSA-N 1 2 359.433 2.927 20 30 FFEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c(-c2ccncc2)n1 ZINC000897592477 982362199 /nfs/dbraw/zinc/36/21/99/982362199.db2.gz VLPFQJYXFPXBOT-HXUWFJFHSA-N 1 2 359.433 2.927 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000964106719 1014976345 /nfs/dbraw/zinc/97/63/45/1014976345.db2.gz IDOSCDOWDXKWBU-BFYDXBDKSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000964106719 1014976353 /nfs/dbraw/zinc/97/63/53/1014976353.db2.gz IDOSCDOWDXKWBU-BFYDXBDKSA-N 1 2 370.497 2.613 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[NH+]1CCN(c2ccc(F)cn2)CC1)c1ccccc1 ZINC000878373663 1015012459 /nfs/dbraw/zinc/01/24/59/1015012459.db2.gz NDRSMICWOMLSFP-NRFANRHFSA-N 1 2 366.440 2.783 20 30 FFEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC000156417362 984330134 /nfs/dbraw/zinc/33/01/34/984330134.db2.gz DWAJBUQJSJJXEL-PMACEKPBSA-N 1 2 350.418 2.799 20 30 FFEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC000156417362 984330138 /nfs/dbraw/zinc/33/01/38/984330138.db2.gz DWAJBUQJSJJXEL-PMACEKPBSA-N 1 2 350.418 2.799 20 30 FFEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)CC2)C1 ZINC001105714431 984351136 /nfs/dbraw/zinc/35/11/36/984351136.db2.gz ZARISVALNOQQCJ-RTBURBONSA-N 1 2 364.530 2.563 20 30 FFEDLO CCC1(Nc2ccc(C#N)nc2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066846282 1015036082 /nfs/dbraw/zinc/03/60/82/1015036082.db2.gz NEGRRISMGSFYOB-IAGOWNOFSA-N 1 2 364.453 2.663 20 30 FFEDLO CCC1(Nc2ccc(C#N)nc2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066846282 1015036091 /nfs/dbraw/zinc/03/60/91/1015036091.db2.gz NEGRRISMGSFYOB-IAGOWNOFSA-N 1 2 364.453 2.663 20 30 FFEDLO Cc1nnc(C[N@@H+]2CC[C@@]3(CNC(=O)C#CC(C)(C)C)CCC[C@@H]23)s1 ZINC001107399731 984507401 /nfs/dbraw/zinc/50/74/01/984507401.db2.gz GXIJORPFZYKVPT-DNVCBOLYSA-N 1 2 360.527 2.757 20 30 FFEDLO Cc1nnc(C[N@H+]2CC[C@@]3(CNC(=O)C#CC(C)(C)C)CCC[C@@H]23)s1 ZINC001107399731 984507405 /nfs/dbraw/zinc/50/74/05/984507405.db2.gz GXIJORPFZYKVPT-DNVCBOLYSA-N 1 2 360.527 2.757 20 30 FFEDLO O=C(C#CC1CC1)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(C3CCC3)no1)CC2 ZINC001107399686 984507524 /nfs/dbraw/zinc/50/75/24/984507524.db2.gz DZOLTZAUGGOISG-DYESRHJHSA-N 1 2 368.481 2.611 20 30 FFEDLO O=C(C#CC1CC1)NC[C@]12CCC[C@H]1[N@@H+](Cc1nc(C3CCC3)no1)CC2 ZINC001107399686 984507533 /nfs/dbraw/zinc/50/75/33/984507533.db2.gz DZOLTZAUGGOISG-DYESRHJHSA-N 1 2 368.481 2.611 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnc(C3CC3)[nH]1)CC2 ZINC001107503400 984612331 /nfs/dbraw/zinc/61/23/31/984612331.db2.gz ZQFSTWRTHAASLC-FOIQADDNSA-N 1 2 357.502 2.755 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnc(C3CC3)[nH]1)CC2 ZINC001107503400 984612333 /nfs/dbraw/zinc/61/23/33/984612333.db2.gz ZQFSTWRTHAASLC-FOIQADDNSA-N 1 2 357.502 2.755 20 30 FFEDLO Cc1ccc(C#N)c(NC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001060319257 984684697 /nfs/dbraw/zinc/68/46/97/984684697.db2.gz QDYCEMYCRPGSAN-BRWVUGGUSA-N 1 2 364.453 2.582 20 30 FFEDLO Cc1ccc(C#N)c(NC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC001060319257 984684701 /nfs/dbraw/zinc/68/47/01/984684701.db2.gz QDYCEMYCRPGSAN-BRWVUGGUSA-N 1 2 364.453 2.582 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCSC[C@H]1c1cnn(C)c1)c1ccccc1 ZINC000878502806 1015073423 /nfs/dbraw/zinc/07/34/23/1015073423.db2.gz HJIQUHBIGQIFKU-VQTJNVASSA-N 1 2 368.506 2.951 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCSC[C@H]1c1cnn(C)c1)c1ccccc1 ZINC000878502806 1015073426 /nfs/dbraw/zinc/07/34/26/1015073426.db2.gz HJIQUHBIGQIFKU-VQTJNVASSA-N 1 2 368.506 2.951 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3F)[C@@H]2C)c1 ZINC001088846457 984976600 /nfs/dbraw/zinc/97/66/00/984976600.db2.gz OZPRXJTUJMMEFW-YJYMSZOUSA-N 1 2 355.388 2.734 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3F)[C@@H]2C)c1 ZINC001088846457 984976606 /nfs/dbraw/zinc/97/66/06/984976606.db2.gz OZPRXJTUJMMEFW-YJYMSZOUSA-N 1 2 355.388 2.734 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2coc(C3CC3)n2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088903584 985400205 /nfs/dbraw/zinc/40/02/05/985400205.db2.gz YWAAXFHZWRSVQV-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2coc(C3CC3)n2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088903584 985400208 /nfs/dbraw/zinc/40/02/08/985400208.db2.gz YWAAXFHZWRSVQV-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C#CCOc1ccccc1NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000187612943 985504773 /nfs/dbraw/zinc/50/47/73/985504773.db2.gz GOVQMBVLFWFEHM-UHFFFAOYSA-N 1 2 366.421 2.883 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2coc(CC3CC3)n2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088949232 985587463 /nfs/dbraw/zinc/58/74/63/985587463.db2.gz WQJONWUYYQKBDT-KDOFPFPSSA-N 1 2 364.449 2.892 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2coc(CC3CC3)n2)CC[N@H+]1Cc1ccccc1C#N ZINC001088949232 985587474 /nfs/dbraw/zinc/58/74/74/985587474.db2.gz WQJONWUYYQKBDT-KDOFPFPSSA-N 1 2 364.449 2.892 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnoc2C2CC2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088953957 985597129 /nfs/dbraw/zinc/59/71/29/985597129.db2.gz XFBZGFXGLSYEEW-XIKOKIGWSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnoc2C2CC2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088953957 985597139 /nfs/dbraw/zinc/59/71/39/985597139.db2.gz XFBZGFXGLSYEEW-XIKOKIGWSA-N 1 2 368.412 2.956 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2c(C)nn(C(C)C)c2C)[C@H]1C ZINC001088970660 985685054 /nfs/dbraw/zinc/68/50/54/985685054.db2.gz KAQQLGUZARVQDS-WBVHZDCISA-N 1 2 352.910 2.955 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2c(C)nn(C(C)C)c2C)[C@H]1C ZINC001088970660 985685056 /nfs/dbraw/zinc/68/50/56/985685056.db2.gz KAQQLGUZARVQDS-WBVHZDCISA-N 1 2 352.910 2.955 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cc(C)n(C)c2C)[C@H]1C ZINC001089029321 986009763 /nfs/dbraw/zinc/00/97/63/986009763.db2.gz RWGCJQMXVKDVPK-HIFRSBDPSA-N 1 2 354.292 2.743 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(C)c2C)[C@H]1C ZINC001089029321 986009775 /nfs/dbraw/zinc/00/97/75/986009775.db2.gz RWGCJQMXVKDVPK-HIFRSBDPSA-N 1 2 354.292 2.743 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001089031963 986021824 /nfs/dbraw/zinc/02/18/24/986021824.db2.gz MEYSZHOOUNHFTL-DYVFJYSZSA-N 1 2 370.428 2.949 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001089031963 986021838 /nfs/dbraw/zinc/02/18/38/986021838.db2.gz MEYSZHOOUNHFTL-DYVFJYSZSA-N 1 2 370.428 2.949 20 30 FFEDLO Cc1cc(C(N)=[NH+]OCC(=O)NCCCOC2CCCCC2)ccc1F ZINC000174124887 986094946 /nfs/dbraw/zinc/09/49/46/986094946.db2.gz MMHGHZKQTVLDDW-UHFFFAOYSA-N 1 2 365.449 2.627 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2COc3ccccc32)[C@H]1C ZINC001089074713 986220725 /nfs/dbraw/zinc/22/07/25/986220725.db2.gz UBTLUGHKDFMWGI-YUELXQCFSA-N 1 2 365.271 2.650 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COc3ccccc32)[C@H]1C ZINC001089074713 986220741 /nfs/dbraw/zinc/22/07/41/986220741.db2.gz UBTLUGHKDFMWGI-YUELXQCFSA-N 1 2 365.271 2.650 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001066874504 1015241266 /nfs/dbraw/zinc/24/12/66/1015241266.db2.gz WWMBNWLQYXWVCZ-CUWPLCDZSA-N 1 2 370.497 2.585 20 30 FFEDLO C=C1CCC(C(=O)N2CCC[C@@H]2CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001002949407 987640716 /nfs/dbraw/zinc/64/07/16/987640716.db2.gz WXTGIVCNCYVEBD-KZNAEPCWSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C1CCC(C(=O)N2CCC[C@@H]2CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001002949407 987640723 /nfs/dbraw/zinc/64/07/23/987640723.db2.gz WXTGIVCNCYVEBD-KZNAEPCWSA-N 1 2 370.497 2.709 20 30 FFEDLO C#CCC1(NC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CCOCC1 ZINC000888426192 987911089 /nfs/dbraw/zinc/91/10/89/987911089.db2.gz NTKKISAQVUWKHR-GOSISDBHSA-N 1 2 366.465 2.576 20 30 FFEDLO C=CCC[C@@H](NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000673269627 987960782 /nfs/dbraw/zinc/96/07/82/987960782.db2.gz HDTDIRZUGGXPJU-RTBURBONSA-N 1 2 366.465 2.870 20 30 FFEDLO C[C@@H](CCNc1cccc(F)c1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001106569310 988406668 /nfs/dbraw/zinc/40/66/68/988406668.db2.gz IQZAMESPZLTMQW-BFHYXJOUSA-N 1 2 355.417 2.541 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC000993624725 989323239 /nfs/dbraw/zinc/32/32/39/989323239.db2.gz RGCQXZSTYYPOLI-IAGOWNOFSA-N 1 2 370.497 2.543 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001033495966 989625098 /nfs/dbraw/zinc/62/50/98/989625098.db2.gz DGHOICUREAMFFA-LNLFQRSKSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001033495966 989625101 /nfs/dbraw/zinc/62/51/01/989625101.db2.gz DGHOICUREAMFFA-LNLFQRSKSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000994239340 989708448 /nfs/dbraw/zinc/70/84/48/989708448.db2.gz GSBXCQVYLJGZOP-NVAPDCRFSA-N 1 2 368.481 2.990 20 30 FFEDLO CC(=O)C(C)(C)CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000676474364 990590920 /nfs/dbraw/zinc/59/09/20/990590920.db2.gz ADQUXOUZFHADDC-UHFFFAOYSA-N 1 2 355.482 2.988 20 30 FFEDLO CC(=O)C(C)(C)CCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000676474364 990590923 /nfs/dbraw/zinc/59/09/23/990590923.db2.gz ADQUXOUZFHADDC-UHFFFAOYSA-N 1 2 355.482 2.988 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ccc(F)c(F)c3)C[C@@H]2O)C1 ZINC001083758595 990595004 /nfs/dbraw/zinc/59/50/04/990595004.db2.gz KBQNFQTWPANUGM-VUCTXSBTSA-N 1 2 350.409 2.543 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ccc(F)c(F)c3)C[C@@H]2O)C1 ZINC001083758595 990595009 /nfs/dbraw/zinc/59/50/09/990595009.db2.gz KBQNFQTWPANUGM-VUCTXSBTSA-N 1 2 350.409 2.543 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1n1ccnn1 ZINC001129238936 990619287 /nfs/dbraw/zinc/61/92/87/990619287.db2.gz LZQCRCTXOXNJMI-HBFSDRIKSA-N 1 2 371.460 2.561 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1n1ccnn1 ZINC001129238936 990619290 /nfs/dbraw/zinc/61/92/90/990619290.db2.gz LZQCRCTXOXNJMI-HBFSDRIKSA-N 1 2 371.460 2.561 20 30 FFEDLO [NH3+]Cc1nc(=O)[nH]n1-c1ccc(N=C(c2ccccc2)c2ccccc2)nc1 ZINC001168762116 990776292 /nfs/dbraw/zinc/77/62/92/990776292.db2.gz CHMOMLMRDJWSHV-UHFFFAOYSA-N 1 2 370.416 2.996 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cc(CC)[nH+]c(C)n1 ZINC001064542250 991635876 /nfs/dbraw/zinc/63/58/76/991635876.db2.gz OBWFJNOWTBLRLM-HCXYKTFWSA-N 1 2 370.497 2.508 20 30 FFEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnc(CC)s2)C1 ZINC001079146995 991802731 /nfs/dbraw/zinc/80/27/31/991802731.db2.gz RFGOQDIKHRZGPK-IAGOWNOFSA-N 1 2 371.506 2.579 20 30 FFEDLO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnc(CC)s2)C1 ZINC001079146995 991802740 /nfs/dbraw/zinc/80/27/40/991802740.db2.gz RFGOQDIKHRZGPK-IAGOWNOFSA-N 1 2 371.506 2.579 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1[nH]nc2c1cccc2C ZINC001137146423 1015666243 /nfs/dbraw/zinc/66/62/43/1015666243.db2.gz KQSPSCQFJQYMHY-GOSISDBHSA-N 1 2 351.454 2.907 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1[nH]nc2c1cccc2C ZINC001137146423 1015666247 /nfs/dbraw/zinc/66/62/47/1015666247.db2.gz KQSPSCQFJQYMHY-GOSISDBHSA-N 1 2 351.454 2.907 20 30 FFEDLO CCCc1nc(CON=C(N)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cs1 ZINC000181851513 991902782 /nfs/dbraw/zinc/90/27/82/991902782.db2.gz FCKNOBHBWCGAQI-QGZVFWFLSA-N 1 2 374.510 2.785 20 30 FFEDLO CCCc1nc(CON=C(N)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cs1 ZINC000181851513 991902788 /nfs/dbraw/zinc/90/27/88/991902788.db2.gz FCKNOBHBWCGAQI-QGZVFWFLSA-N 1 2 374.510 2.785 20 30 FFEDLO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2C)s1 ZINC001079477944 992140320 /nfs/dbraw/zinc/14/03/20/992140320.db2.gz ZGXZYZOXKSZPPQ-BDJLRTHQSA-N 1 2 358.442 2.713 20 30 FFEDLO Cc1ncc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2C)s1 ZINC001079477944 992140326 /nfs/dbraw/zinc/14/03/26/992140326.db2.gz ZGXZYZOXKSZPPQ-BDJLRTHQSA-N 1 2 358.442 2.713 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2c(F)cccc2Cl)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079581593 992224170 /nfs/dbraw/zinc/22/41/70/992224170.db2.gz VSOSHUGIXODGBS-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2c(F)cccc2Cl)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079581593 992224183 /nfs/dbraw/zinc/22/41/83/992224183.db2.gz VSOSHUGIXODGBS-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO CCn1nccc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001079618705 992264810 /nfs/dbraw/zinc/26/48/10/992264810.db2.gz JJNPBQKMAMALMX-CRAIPNDOSA-N 1 2 370.884 2.658 20 30 FFEDLO CCn1nccc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001079618705 992264820 /nfs/dbraw/zinc/26/48/20/992264820.db2.gz JJNPBQKMAMALMX-CRAIPNDOSA-N 1 2 370.884 2.658 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001079888489 992555710 /nfs/dbraw/zinc/55/57/10/992555710.db2.gz DSPSZEBJXLCNSS-SMOSDQRPSA-N 1 2 374.912 2.943 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001079888489 992555716 /nfs/dbraw/zinc/55/57/16/992555716.db2.gz DSPSZEBJXLCNSS-SMOSDQRPSA-N 1 2 374.912 2.943 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c(OC)c2)C1 ZINC001080079271 992710935 /nfs/dbraw/zinc/71/09/35/992710935.db2.gz AREFEQQRAANSRO-IUODEOHRSA-N 1 2 367.287 2.962 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c(OC)c2)C1 ZINC001080079271 992710943 /nfs/dbraw/zinc/71/09/43/992710943.db2.gz AREFEQQRAANSRO-IUODEOHRSA-N 1 2 367.287 2.962 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008847008 1015729543 /nfs/dbraw/zinc/72/95/43/1015729543.db2.gz PTLNFIHJQIHMTI-HBFSDRIKSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008847008 1015729546 /nfs/dbraw/zinc/72/95/46/1015729546.db2.gz PTLNFIHJQIHMTI-HBFSDRIKSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCOc3c(F)cccc32)C1 ZINC001080098161 992731818 /nfs/dbraw/zinc/73/18/18/992731818.db2.gz HYLSZWKUGPPOFY-DIOULYMOSA-N 1 2 352.837 2.881 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCOc3c(F)cccc32)C1 ZINC001080098161 992731829 /nfs/dbraw/zinc/73/18/29/992731829.db2.gz HYLSZWKUGPPOFY-DIOULYMOSA-N 1 2 352.837 2.881 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H](N(CC)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000942846900 992805570 /nfs/dbraw/zinc/80/55/70/992805570.db2.gz NARSVKDHSRRAEL-RCCFBDPRSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H](N(CC)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000942846900 992805583 /nfs/dbraw/zinc/80/55/83/992805583.db2.gz NARSVKDHSRRAEL-RCCFBDPRSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001080482659 993090391 /nfs/dbraw/zinc/09/03/91/993090391.db2.gz DLJNFWQJNYHCIQ-FMKGYKFTSA-N 1 2 353.260 2.728 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001080482659 993090395 /nfs/dbraw/zinc/09/03/95/993090395.db2.gz DLJNFWQJNYHCIQ-FMKGYKFTSA-N 1 2 353.260 2.728 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2c(C)noc2C)C1 ZINC001080614513 993208523 /nfs/dbraw/zinc/20/85/23/993208523.db2.gz TYPUIRYHNXEOIG-OLUVUFQESA-N 1 2 370.291 2.740 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2c(C)noc2C)C1 ZINC001080614513 993208531 /nfs/dbraw/zinc/20/85/31/993208531.db2.gz TYPUIRYHNXEOIG-OLUVUFQESA-N 1 2 370.291 2.740 20 30 FFEDLO CO[C@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000880302681 1015802460 /nfs/dbraw/zinc/80/24/60/1015802460.db2.gz ALBFGJSNDVHREE-WMLDXEAASA-N 1 2 369.387 2.975 20 30 FFEDLO CO[C@]1(C(F)(F)F)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000880302681 1015802469 /nfs/dbraw/zinc/80/24/69/1015802469.db2.gz ALBFGJSNDVHREE-WMLDXEAASA-N 1 2 369.387 2.975 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)[C@H](C)C1CC1 ZINC001081499320 993854310 /nfs/dbraw/zinc/85/43/10/993854310.db2.gz BACAEJJRGAEGJF-NIKGAXFTSA-N 1 2 360.885 2.553 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)[C@H](C)C1CC1 ZINC001081499320 993854319 /nfs/dbraw/zinc/85/43/19/993854319.db2.gz BACAEJJRGAEGJF-NIKGAXFTSA-N 1 2 360.885 2.553 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1CCCC12CC2 ZINC001081850961 994019707 /nfs/dbraw/zinc/01/97/07/994019707.db2.gz ZZZGTOWSXRFCST-QXAKKESOSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1CCCC12CC2 ZINC001081850961 994019714 /nfs/dbraw/zinc/01/97/14/994019714.db2.gz ZZZGTOWSXRFCST-QXAKKESOSA-N 1 2 371.456 2.593 20 30 FFEDLO Cc1n[nH]c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C#N)ccc3F)C2)c1C ZINC001086662480 994087057 /nfs/dbraw/zinc/08/70/57/994087057.db2.gz SAONXALDQJJCHI-DOTOQJQBSA-N 1 2 369.444 2.726 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C[C@H]1CC=CCC1 ZINC001082029077 994125828 /nfs/dbraw/zinc/12/58/28/994125828.db2.gz HABHZYZMCUPSKZ-CWFSZBLJSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C[C@H]1CC=CCC1 ZINC001082029077 994125831 /nfs/dbraw/zinc/12/58/31/994125831.db2.gz HABHZYZMCUPSKZ-CWFSZBLJSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[C@H]1CC=CCC1 ZINC001082028890 994126044 /nfs/dbraw/zinc/12/60/44/994126044.db2.gz AFCCWVISZUORPU-CEWLAPEOSA-N 1 2 370.468 2.739 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[C@H]1CC=CCC1 ZINC001082028890 994126045 /nfs/dbraw/zinc/12/60/45/994126045.db2.gz AFCCWVISZUORPU-CEWLAPEOSA-N 1 2 370.468 2.739 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1(C)CCCCC1 ZINC001082095731 994152297 /nfs/dbraw/zinc/15/22/97/994152297.db2.gz GFIZGYQHNJYJDC-WOJBJXKFSA-N 1 2 354.494 2.824 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1(C)CCCCC1 ZINC001082095731 994152299 /nfs/dbraw/zinc/15/22/99/994152299.db2.gz GFIZGYQHNJYJDC-WOJBJXKFSA-N 1 2 354.494 2.824 20 30 FFEDLO C#CC[C@@]1(C(=O)OCCCn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000808597568 994184427 /nfs/dbraw/zinc/18/44/27/994184427.db2.gz UFFJRXRPIRGQRY-IBGZPJMESA-N 1 2 361.442 2.609 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC(C)(C)C1 ZINC001082111142 994193889 /nfs/dbraw/zinc/19/38/89/994193889.db2.gz TZSXBWQBFHBYON-XUVXKRRUSA-N 1 2 354.494 2.680 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC(C)(C)C1 ZINC001082111142 994193893 /nfs/dbraw/zinc/19/38/93/994193893.db2.gz TZSXBWQBFHBYON-XUVXKRRUSA-N 1 2 354.494 2.680 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cccc(Cl)c1 ZINC001082340029 994416847 /nfs/dbraw/zinc/41/68/47/994416847.db2.gz QLTHSVGUBKMYQR-WOJBJXKFSA-N 1 2 368.864 2.821 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cccc(Cl)c1 ZINC001082340029 994416853 /nfs/dbraw/zinc/41/68/53/994416853.db2.gz QLTHSVGUBKMYQR-WOJBJXKFSA-N 1 2 368.864 2.821 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC2CCC1CC2 ZINC001082385498 994503473 /nfs/dbraw/zinc/50/34/73/994503473.db2.gz NPEBVYVBMJCYGK-MNMPARFZSA-N 1 2 366.505 2.680 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC2CCC1CC2 ZINC001082385498 994503484 /nfs/dbraw/zinc/50/34/84/994503484.db2.gz NPEBVYVBMJCYGK-MNMPARFZSA-N 1 2 366.505 2.680 20 30 FFEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C)c1ccc(Cl)cc1 ZINC000810471627 994796996 /nfs/dbraw/zinc/79/69/96/994796996.db2.gz VOXRJNWFTLNSLV-HNNXBMFYSA-N 1 2 370.840 2.539 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)CO2 ZINC001053874259 1015896564 /nfs/dbraw/zinc/89/65/64/1015896564.db2.gz BNDYJCUCPNPGAL-HYVNUMGLSA-N 1 2 362.420 2.604 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(CC4CC4)no3)C2)CC1 ZINC001082722429 995356639 /nfs/dbraw/zinc/35/66/39/995356639.db2.gz YSHLCRFDLFGWSV-RHSMWYFYSA-N 1 2 358.486 2.705 20 30 FFEDLO CCN(Cc1cccc(F)c1)C(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000747824934 995565384 /nfs/dbraw/zinc/56/53/84/995565384.db2.gz MHFNBYAXLAYPSR-UHFFFAOYSA-N 1 2 361.392 2.959 20 30 FFEDLO COc1ccc(CN(C(=O)CO[NH+]=C(N)c2ccc(F)cc2)C2CC2)cc1 ZINC000747829157 995580113 /nfs/dbraw/zinc/58/01/13/995580113.db2.gz ZNHHDYPSKKDAHW-UHFFFAOYSA-N 1 2 371.412 2.662 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)c4ccc(Cl)o4)[C@H]3C2)cc1 ZINC001083001386 995997528 /nfs/dbraw/zinc/99/75/28/995997528.db2.gz JEMLEGBLRXKNDW-DOTOQJQBSA-N 1 2 371.824 2.530 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)c4ccc(Cl)o4)[C@H]3C2)cc1 ZINC001083001386 995997531 /nfs/dbraw/zinc/99/75/31/995997531.db2.gz JEMLEGBLRXKNDW-DOTOQJQBSA-N 1 2 371.824 2.530 20 30 FFEDLO N#Cc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)CCC4CCC4)[C@H]3C2)ccc1F ZINC001083040893 996037609 /nfs/dbraw/zinc/03/76/09/996037609.db2.gz HAPDDPXICBYNOO-VQTJNVASSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)CCC4CCC4)[C@H]3C2)ccc1F ZINC001083040893 996037614 /nfs/dbraw/zinc/03/76/14/996037614.db2.gz HAPDDPXICBYNOO-VQTJNVASSA-N 1 2 371.456 2.689 20 30 FFEDLO CC1(C)CCC(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@@H]2O)CC1 ZINC001084130022 996265989 /nfs/dbraw/zinc/26/59/89/996265989.db2.gz HCZWXZZLWFBANT-UXHICEINSA-N 1 2 369.509 2.826 20 30 FFEDLO CC1(C)CCC(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@@H]2O)CC1 ZINC001084130022 996265995 /nfs/dbraw/zinc/26/59/95/996265995.db2.gz HCZWXZZLWFBANT-UXHICEINSA-N 1 2 369.509 2.826 20 30 FFEDLO O=C(c1ccccn1)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084151579 996281096 /nfs/dbraw/zinc/28/10/96/996281096.db2.gz GZAYKDWLQHUISM-YLJYHZDGSA-N 1 2 365.864 2.933 20 30 FFEDLO O=C(c1ccccn1)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084151579 996281104 /nfs/dbraw/zinc/28/11/04/996281104.db2.gz GZAYKDWLQHUISM-YLJYHZDGSA-N 1 2 365.864 2.933 20 30 FFEDLO C=C(Cl)CN1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)cc2C1 ZINC001054282296 1016019825 /nfs/dbraw/zinc/01/98/25/1016019825.db2.gz ZUUUBLUXNMWSQO-QZTJIDSGSA-N 1 2 370.884 2.908 20 30 FFEDLO Cc1ccoc1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084189876 996321681 /nfs/dbraw/zinc/32/16/81/996321681.db2.gz IRJMYHGSKSFTKP-CRAIPNDOSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1ccoc1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084189876 996321687 /nfs/dbraw/zinc/32/16/87/996321687.db2.gz IRJMYHGSKSFTKP-CRAIPNDOSA-N 1 2 353.397 2.945 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccncc4F)[C@@H]3C2)ccc1F ZINC001084249386 996355355 /nfs/dbraw/zinc/35/53/55/996355355.db2.gz VNEJODCULBTUQU-AUUYWEPGSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccncc4F)[C@@H]3C2)ccc1F ZINC001084249386 996355358 /nfs/dbraw/zinc/35/53/58/996355358.db2.gz VNEJODCULBTUQU-AUUYWEPGSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CCc4ccoc4)[C@@H]3C2)c(F)c1 ZINC001084269273 996414236 /nfs/dbraw/zinc/41/42/36/996414236.db2.gz PYWFSLARGBGWBN-UYAOXDASSA-N 1 2 367.424 2.956 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCc4ccoc4)[C@@H]3C2)c(F)c1 ZINC001084269273 996414238 /nfs/dbraw/zinc/41/42/38/996414238.db2.gz PYWFSLARGBGWBN-UYAOXDASSA-N 1 2 367.424 2.956 20 30 FFEDLO N#Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cncc(F)c4)[C@@H]3C2)ccc1F ZINC001084273550 996418982 /nfs/dbraw/zinc/41/89/82/996418982.db2.gz GDZWDQBXYQZOPW-AUUYWEPGSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cncc(F)c4)[C@@H]3C2)ccc1F ZINC001084273550 996418984 /nfs/dbraw/zinc/41/89/84/996418984.db2.gz GDZWDQBXYQZOPW-AUUYWEPGSA-N 1 2 368.387 2.578 20 30 FFEDLO CCc1ccnc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)c1 ZINC001084366294 996491305 /nfs/dbraw/zinc/49/13/05/996491305.db2.gz IZZJNNVXZPHRAI-DNVCBOLYSA-N 1 2 366.490 2.924 20 30 FFEDLO CCc1ccnc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)c1 ZINC001084366294 996491309 /nfs/dbraw/zinc/49/13/09/996491309.db2.gz IZZJNNVXZPHRAI-DNVCBOLYSA-N 1 2 366.490 2.924 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084420638 996520451 /nfs/dbraw/zinc/52/04/51/996520451.db2.gz HECGPEMOOUDIPT-SMOSDQRPSA-N 1 2 371.456 2.545 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084420638 996520454 /nfs/dbraw/zinc/52/04/54/996520454.db2.gz HECGPEMOOUDIPT-SMOSDQRPSA-N 1 2 371.456 2.545 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn4c3ccc(C)c4C)[C@@H]2C1 ZINC001084423061 996522621 /nfs/dbraw/zinc/52/26/21/996522621.db2.gz WQXMRJCFBYBGMC-CRAIPNDOSA-N 1 2 358.873 2.850 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn4c3ccc(C)c4C)[C@@H]2C1 ZINC001084423061 996522623 /nfs/dbraw/zinc/52/26/23/996522623.db2.gz WQXMRJCFBYBGMC-CRAIPNDOSA-N 1 2 358.873 2.850 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)OCCCO4)[C@@H]2C1 ZINC001084407514 996551147 /nfs/dbraw/zinc/55/11/47/996551147.db2.gz ZTDPYMVNISWRBP-HZPDHXFCSA-N 1 2 362.857 2.747 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)OCCCO4)[C@@H]2C1 ZINC001084407514 996551152 /nfs/dbraw/zinc/55/11/52/996551152.db2.gz ZTDPYMVNISWRBP-HZPDHXFCSA-N 1 2 362.857 2.747 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(-c4ccccc4)n[nH]3)[C@@H]2C1 ZINC001084499470 996622401 /nfs/dbraw/zinc/62/24/01/996622401.db2.gz CLNFQAWDLQGBCQ-CRAIPNDOSA-N 1 2 356.857 2.976 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(-c4ccccc4)n[nH]3)[C@@H]2C1 ZINC001084499470 996622402 /nfs/dbraw/zinc/62/24/02/996622402.db2.gz CLNFQAWDLQGBCQ-CRAIPNDOSA-N 1 2 356.857 2.976 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cc(F)c[nH]4)[C@@H]3C2)c(F)c1 ZINC001084527748 996662109 /nfs/dbraw/zinc/66/21/09/996662109.db2.gz WQMFRDLKRIAMSJ-RDTXWAMCSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(F)c[nH]4)[C@@H]3C2)c(F)c1 ZINC001084527748 996662113 /nfs/dbraw/zinc/66/21/13/996662113.db2.gz WQMFRDLKRIAMSJ-RDTXWAMCSA-N 1 2 356.376 2.511 20 30 FFEDLO Cc1c(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)[nH+]c2ccccn12 ZINC001137268628 1016053619 /nfs/dbraw/zinc/05/36/19/1016053619.db2.gz ZKXWHGXUBWGNGT-OAHLLOKOSA-N 1 2 355.442 2.588 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3nc4ccccc4n3C)C[C@H]21 ZINC001084578153 996692876 /nfs/dbraw/zinc/69/28/76/996692876.db2.gz MOAMDWSACLMKIP-CRAIPNDOSA-N 1 2 352.482 2.818 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3nc4ccccc4n3C)C[C@H]21 ZINC001084578153 996692881 /nfs/dbraw/zinc/69/28/81/996692881.db2.gz MOAMDWSACLMKIP-CRAIPNDOSA-N 1 2 352.482 2.818 20 30 FFEDLO COC1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)CC1 ZINC001084617855 996732363 /nfs/dbraw/zinc/73/23/63/996732363.db2.gz QSOZRLGABKRLRR-GZXVYXBTSA-N 1 2 367.493 2.796 20 30 FFEDLO COC1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)CC1 ZINC001084617855 996732366 /nfs/dbraw/zinc/73/23/66/996732366.db2.gz QSOZRLGABKRLRR-GZXVYXBTSA-N 1 2 367.493 2.796 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2CN(c3nc(C)[nH+]c4c3CCCC4)C[C@H]2C)CCC1 ZINC001090783029 997008496 /nfs/dbraw/zinc/00/84/96/997008496.db2.gz GEXQCIDFSKMCAH-DNVCBOLYSA-N 1 2 366.509 2.798 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC000824867831 997113657 /nfs/dbraw/zinc/11/36/57/997113657.db2.gz XVJISXOLUKUSQP-UHFFFAOYSA-N 1 2 370.428 2.907 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cnoc3C3CC3)[C@@H]2C1 ZINC001084752928 997203222 /nfs/dbraw/zinc/20/32/22/997203222.db2.gz LHCZBDMAQJRVBF-IEBWSBKVSA-N 1 2 362.433 2.770 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnoc3C3CC3)[C@@H]2C1 ZINC001084752928 997203229 /nfs/dbraw/zinc/20/32/29/997203229.db2.gz LHCZBDMAQJRVBF-IEBWSBKVSA-N 1 2 362.433 2.770 20 30 FFEDLO O=C(c1ncccc1Cl)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084786533 997375524 /nfs/dbraw/zinc/37/55/24/997375524.db2.gz WIBPMBRKQIJTHU-IEBWSBKVSA-N 1 2 365.864 2.933 20 30 FFEDLO O=C(c1ncccc1Cl)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084786533 997375537 /nfs/dbraw/zinc/37/55/37/997375537.db2.gz WIBPMBRKQIJTHU-IEBWSBKVSA-N 1 2 365.864 2.933 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccccc3OCC)[C@@H]2C1 ZINC001084810410 997487196 /nfs/dbraw/zinc/48/71/96/997487196.db2.gz MQHVQQWYRMQRQE-HZPDHXFCSA-N 1 2 364.873 2.749 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccccc3OCC)[C@@H]2C1 ZINC001084810410 997487205 /nfs/dbraw/zinc/48/72/05/997487205.db2.gz MQHVQQWYRMQRQE-HZPDHXFCSA-N 1 2 364.873 2.749 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Oc3ccc(F)cc3)[C@@H]2C1 ZINC001084820064 997540484 /nfs/dbraw/zinc/54/04/84/997540484.db2.gz FKQWXIUIYRWUPR-CKEIUWERSA-N 1 2 352.837 2.878 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Oc3ccc(F)cc3)[C@@H]2C1 ZINC001084820064 997540500 /nfs/dbraw/zinc/54/05/00/997540500.db2.gz FKQWXIUIYRWUPR-CKEIUWERSA-N 1 2 352.837 2.878 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001056423720 1016138093 /nfs/dbraw/zinc/13/80/93/1016138093.db2.gz RRFKOQNHQBXGGR-AHCXZYCDSA-N 1 2 370.497 2.707 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001056423720 1016138095 /nfs/dbraw/zinc/13/80/95/1016138095.db2.gz RRFKOQNHQBXGGR-AHCXZYCDSA-N 1 2 370.497 2.707 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(OC)c(OC)cc3C)[C@@H]2C1 ZINC001084846723 997628504 /nfs/dbraw/zinc/62/85/04/997628504.db2.gz WNEXQQVRAIHCBL-GDBMZVCRSA-N 1 2 364.873 2.911 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(OC)c(OC)cc3C)[C@@H]2C1 ZINC001084846723 997628508 /nfs/dbraw/zinc/62/85/08/997628508.db2.gz WNEXQQVRAIHCBL-GDBMZVCRSA-N 1 2 364.873 2.911 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(N(C)C)c(F)c3)[C@@H]2C1 ZINC001084853880 997670939 /nfs/dbraw/zinc/67/09/39/997670939.db2.gz OCIGKJIJSCEZPW-RHSMWYFYSA-N 1 2 351.853 2.791 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N(C)C)c(F)c3)[C@@H]2C1 ZINC001084853880 997670946 /nfs/dbraw/zinc/67/09/46/997670946.db2.gz OCIGKJIJSCEZPW-RHSMWYFYSA-N 1 2 351.853 2.791 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CC2)c([N+](=O)[O-])c1 ZINC000844333148 997791086 /nfs/dbraw/zinc/79/10/86/997791086.db2.gz ZOGLPAIGAOLOBJ-MRXNPFEDSA-N 1 2 358.398 2.710 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2COC(=O)NC2CC2)c([N+](=O)[O-])c1 ZINC000844333148 997791097 /nfs/dbraw/zinc/79/10/97/997791097.db2.gz ZOGLPAIGAOLOBJ-MRXNPFEDSA-N 1 2 358.398 2.710 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1OC ZINC001090931317 997821415 /nfs/dbraw/zinc/82/14/15/997821415.db2.gz WEQUVJPBKQXRKA-QZTJIDSGSA-N 1 2 370.497 2.566 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(-c4cccs4)on3)[C@H]2C1 ZINC001084904708 997998054 /nfs/dbraw/zinc/99/80/54/997998054.db2.gz WKMJTNUDZDJFMS-FMKPAKJESA-N 1 2 370.478 2.986 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(-c4cccs4)on3)[C@H]2C1 ZINC001084904708 997998061 /nfs/dbraw/zinc/99/80/61/997998061.db2.gz WKMJTNUDZDJFMS-FMKPAKJESA-N 1 2 370.478 2.986 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)SC)C[C@@H]21 ZINC001084922012 998118983 /nfs/dbraw/zinc/11/89/83/998118983.db2.gz HHSXPQHBQYAKGI-HZSPNIEDSA-N 1 2 361.349 2.959 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)SC)C[C@@H]21 ZINC001084922012 998118988 /nfs/dbraw/zinc/11/89/88/998118988.db2.gz HHSXPQHBQYAKGI-HZSPNIEDSA-N 1 2 361.349 2.959 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(C)on3)[C@H]2C1 ZINC001084958866 998359157 /nfs/dbraw/zinc/35/91/57/998359157.db2.gz ADHZAABQXFFODA-APWZRJJASA-N 1 2 354.454 2.707 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(C)on3)[C@H]2C1 ZINC001084958866 998359167 /nfs/dbraw/zinc/35/91/67/998359167.db2.gz ADHZAABQXFFODA-APWZRJJASA-N 1 2 354.454 2.707 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2cc(F)ccc2C#N)O1 ZINC001049732807 1016215624 /nfs/dbraw/zinc/21/56/24/1016215624.db2.gz RJERTHCAUVRMHH-LMFCIFFHSA-N 1 2 371.456 2.830 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3Cc2cc(F)ccc2C#N)O1 ZINC001049732807 1016215629 /nfs/dbraw/zinc/21/56/29/1016215629.db2.gz RJERTHCAUVRMHH-LMFCIFFHSA-N 1 2 371.456 2.830 20 30 FFEDLO CN(C[C@@H](O)c1cccc(C#N)c1)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000845609205 998616359 /nfs/dbraw/zinc/61/63/59/998616359.db2.gz QWMMUCMFSSRJSQ-MRXNPFEDSA-N 1 2 350.426 2.623 20 30 FFEDLO Cc1cnoc1C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001085066429 998830858 /nfs/dbraw/zinc/83/08/58/998830858.db2.gz KMCHBSKNAGRINH-KDOFPFPSSA-N 1 2 368.412 2.730 20 30 FFEDLO Cc1cnoc1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001085066429 998830864 /nfs/dbraw/zinc/83/08/64/998830864.db2.gz KMCHBSKNAGRINH-KDOFPFPSSA-N 1 2 368.412 2.730 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000733196197 998908052 /nfs/dbraw/zinc/90/80/52/998908052.db2.gz IIHJUSCOAUPMRG-ULQDDVLXSA-N 1 2 365.518 2.905 20 30 FFEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)CC1 ZINC001065709545 999125404 /nfs/dbraw/zinc/12/54/04/999125404.db2.gz WPGUGJZBGPZZHA-ZGXWSNOMSA-N 1 2 373.541 2.524 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H](N4CCCCC4=O)C3)o2)c1 ZINC000743848684 999833658 /nfs/dbraw/zinc/83/36/58/999833658.db2.gz XPPOPBWBYZLYIN-KRWDZBQOSA-N 1 2 365.437 2.585 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](N4CCCCC4=O)C3)o2)c1 ZINC000743848684 999833661 /nfs/dbraw/zinc/83/36/61/999833661.db2.gz XPPOPBWBYZLYIN-KRWDZBQOSA-N 1 2 365.437 2.585 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC001108268170 999860744 /nfs/dbraw/zinc/86/07/44/999860744.db2.gz UIIIURWQZQATKN-NSHGMRRFSA-N 1 2 360.885 2.674 20 30 FFEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC001108268170 999860745 /nfs/dbraw/zinc/86/07/45/999860745.db2.gz UIIIURWQZQATKN-NSHGMRRFSA-N 1 2 360.885 2.674 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)oc1C)C2 ZINC001108913871 1000131580 /nfs/dbraw/zinc/13/15/80/1000131580.db2.gz YIWFBWWBXLGFHS-NEWSRXKRSA-N 1 2 373.497 2.656 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)oc1C)C2 ZINC001108913871 1000131582 /nfs/dbraw/zinc/13/15/82/1000131582.db2.gz YIWFBWWBXLGFHS-NEWSRXKRSA-N 1 2 373.497 2.656 20 30 FFEDLO C=CCn1c(-c2ccncc2)nn(CN(C)CCCn2cc[nH+]c2)c1=S ZINC000767753672 1000142052 /nfs/dbraw/zinc/14/20/52/1000142052.db2.gz DSESUEQEHMRXQU-UHFFFAOYSA-N 1 2 369.498 2.838 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1Br ZINC001109088350 1000162435 /nfs/dbraw/zinc/16/24/35/1000162435.db2.gz MKMSJUJNZUJXIE-OYNZBZHQSA-N 1 2 362.271 2.830 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1Br ZINC001109088350 1000162436 /nfs/dbraw/zinc/16/24/36/1000162436.db2.gz MKMSJUJNZUJXIE-OYNZBZHQSA-N 1 2 362.271 2.830 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1coc(-c2ccc(F)cc2)n1 ZINC001109089143 1000166662 /nfs/dbraw/zinc/16/66/62/1000166662.db2.gz YFZKQDDSNQTMMF-LSZYVWPRSA-N 1 2 368.412 2.862 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1coc(-c2ccc(F)cc2)n1 ZINC001109089143 1000166663 /nfs/dbraw/zinc/16/66/63/1000166663.db2.gz YFZKQDDSNQTMMF-LSZYVWPRSA-N 1 2 368.412 2.862 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[C@@H]2CCOC2)C3)c(F)c1 ZINC001109144327 1000177337 /nfs/dbraw/zinc/17/73/37/1000177337.db2.gz NLNBIRBPXCKLPJ-JBCDFXQESA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[C@@H]2CCOC2)C3)c(F)c1 ZINC001109144327 1000177338 /nfs/dbraw/zinc/17/73/38/1000177338.db2.gz NLNBIRBPXCKLPJ-JBCDFXQESA-N 1 2 371.456 2.736 20 30 FFEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCCCC1 ZINC001109249622 1000195894 /nfs/dbraw/zinc/19/58/94/1000195894.db2.gz GZCYQTQVRMYGDN-AABGKKOBSA-N 1 2 373.541 2.596 20 30 FFEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCCCC1 ZINC001109249622 1000195897 /nfs/dbraw/zinc/19/58/97/1000195897.db2.gz GZCYQTQVRMYGDN-AABGKKOBSA-N 1 2 373.541 2.596 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C(C)C ZINC001109266090 1000207141 /nfs/dbraw/zinc/20/71/41/1000207141.db2.gz MDBPMMVZNHMKSN-FUMNGEBKSA-N 1 2 355.482 2.841 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C(C)C ZINC001109266090 1000207145 /nfs/dbraw/zinc/20/71/45/1000207145.db2.gz MDBPMMVZNHMKSN-FUMNGEBKSA-N 1 2 355.482 2.841 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCCC1 ZINC001109352974 1000297790 /nfs/dbraw/zinc/29/77/90/1000297790.db2.gz CUCUTDJXDVCTLU-QYZOEREBSA-N 1 2 361.530 2.903 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCCC1 ZINC001109352974 1000297796 /nfs/dbraw/zinc/29/77/96/1000297796.db2.gz CUCUTDJXDVCTLU-QYZOEREBSA-N 1 2 361.530 2.903 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001091278181 1000361834 /nfs/dbraw/zinc/36/18/34/1000361834.db2.gz NTOREDUOVNEVAV-HUUCEWRRSA-N 1 2 356.474 2.805 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)nn1 ZINC000846812262 1000447418 /nfs/dbraw/zinc/44/74/18/1000447418.db2.gz UIMXOFLMXNYBFX-WBVHZDCISA-N 1 2 363.506 2.979 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)nn1 ZINC000846812262 1000447423 /nfs/dbraw/zinc/44/74/23/1000447423.db2.gz UIMXOFLMXNYBFX-WBVHZDCISA-N 1 2 363.506 2.979 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@H](C)c2cc(F)ccc2N2CCC(O)CC2)nn1 ZINC000846845051 1000457602 /nfs/dbraw/zinc/45/76/02/1000457602.db2.gz SKZCGYSFEPMAFX-OAHLLOKOSA-N 1 2 373.476 2.805 20 30 FFEDLO CCOCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CC1 ZINC001109465185 1000512973 /nfs/dbraw/zinc/51/29/73/1000512973.db2.gz PTIREVXAUQSQLS-QYZOEREBSA-N 1 2 353.466 2.596 20 30 FFEDLO CCOCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CC1 ZINC001109465185 1000512977 /nfs/dbraw/zinc/51/29/77/1000512977.db2.gz PTIREVXAUQSQLS-QYZOEREBSA-N 1 2 353.466 2.596 20 30 FFEDLO C[C@]12CN(C(=O)c3ccn[nH]3)C[C@H]1C[N@H+](CC#Cc1ccccc1Cl)C2 ZINC001091501813 1000578723 /nfs/dbraw/zinc/57/87/23/1000578723.db2.gz SPYNDDVEMJXPIM-UZLBHIALSA-N 1 2 368.868 2.509 20 30 FFEDLO C[C@]12CN(C(=O)c3ccn[nH]3)C[C@H]1C[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC001091501813 1000578727 /nfs/dbraw/zinc/57/87/27/1000578727.db2.gz SPYNDDVEMJXPIM-UZLBHIALSA-N 1 2 368.868 2.509 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2ccon2)C3)c(F)c1 ZINC001109523285 1000592195 /nfs/dbraw/zinc/59/21/95/1000592195.db2.gz NEZRLFDGZFDXQR-NEWSRXKRSA-N 1 2 368.412 2.540 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2ccon2)C3)c(F)c1 ZINC001109523285 1000592199 /nfs/dbraw/zinc/59/21/99/1000592199.db2.gz NEZRLFDGZFDXQR-NEWSRXKRSA-N 1 2 368.412 2.540 20 30 FFEDLO Cc1cnc(CO[NH+]=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)o1 ZINC000769841467 1000619521 /nfs/dbraw/zinc/61/95/21/1000619521.db2.gz GRDHYIYYGGZOEN-UHFFFAOYSA-N 1 2 360.414 2.845 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(c2ccccc2)C1=O ZINC001109657976 1000797240 /nfs/dbraw/zinc/79/72/40/1000797240.db2.gz MJAPHORWZBNDRQ-FYQPLNBISA-N 1 2 367.493 2.870 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(c2ccccc2)C1=O ZINC001109657976 1000797248 /nfs/dbraw/zinc/79/72/48/1000797248.db2.gz MJAPHORWZBNDRQ-FYQPLNBISA-N 1 2 367.493 2.870 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cccc(OC)c1 ZINC001109658746 1000798291 /nfs/dbraw/zinc/79/82/91/1000798291.db2.gz CDELJKSCXKYDJD-NEWSRXKRSA-N 1 2 371.481 2.712 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cccc(OC)c1 ZINC001109658746 1000798298 /nfs/dbraw/zinc/79/82/98/1000798298.db2.gz CDELJKSCXKYDJD-NEWSRXKRSA-N 1 2 371.481 2.712 20 30 FFEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)C(C)C)CC1 ZINC001109681857 1000836093 /nfs/dbraw/zinc/83/60/93/1000836093.db2.gz KNAYITCSXURGBD-BDXSIMOUSA-N 1 2 361.530 2.615 20 30 FFEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)C(C)C)CC1 ZINC001109681857 1000836097 /nfs/dbraw/zinc/83/60/97/1000836097.db2.gz KNAYITCSXURGBD-BDXSIMOUSA-N 1 2 361.530 2.615 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC(C)(C)C ZINC001109769772 1000976747 /nfs/dbraw/zinc/97/67/47/1000976747.db2.gz UDDFPTJKSARUIK-IKGGRYGDSA-N 1 2 363.546 2.863 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC(C)(C)C ZINC001109769772 1000976752 /nfs/dbraw/zinc/97/67/52/1000976752.db2.gz UDDFPTJKSARUIK-IKGGRYGDSA-N 1 2 363.546 2.863 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091657088 1000979254 /nfs/dbraw/zinc/97/92/54/1000979254.db2.gz XMBJGTVPZCOBAH-JCGIZDLHSA-N 1 2 368.485 2.527 20 30 FFEDLO CN(CCCNC(=S)NN=Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000771099071 1001009537 /nfs/dbraw/zinc/00/95/37/1001009537.db2.gz CRSKQYZGWMKXII-UHFFFAOYSA-N 1 2 366.494 2.659 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@@H](C)[C@H]1CCCNc1cc[nH+]c(C)n1 ZINC001091705223 1001111137 /nfs/dbraw/zinc/11/11/37/1001111137.db2.gz NMCYAFOPBQRZOC-SOLBZPMBSA-N 1 2 358.486 2.643 20 30 FFEDLO CCC1(O)CCC(N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CC1 ZINC000771514662 1001134665 /nfs/dbraw/zinc/13/46/65/1001134665.db2.gz SXBUATXSIUCRFC-UHFFFAOYSA-N 1 2 368.481 2.730 20 30 FFEDLO COCCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109915733 1001142075 /nfs/dbraw/zinc/14/20/75/1001142075.db2.gz BTZOXFZLUXFUIM-NEWSRXKRSA-N 1 2 373.472 2.982 20 30 FFEDLO COCCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109915733 1001142079 /nfs/dbraw/zinc/14/20/79/1001142079.db2.gz BTZOXFZLUXFUIM-NEWSRXKRSA-N 1 2 373.472 2.982 20 30 FFEDLO CN(CCCCCCNc1ccc(C#N)cn1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001091751527 1001221291 /nfs/dbraw/zinc/22/12/91/1001221291.db2.gz GIIACEMLVAGZPU-IAGOWNOFSA-N 1 2 366.469 2.911 20 30 FFEDLO CN(CCCCCCNc1ccc(C#N)cn1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001091751527 1001221296 /nfs/dbraw/zinc/22/12/96/1001221296.db2.gz GIIACEMLVAGZPU-IAGOWNOFSA-N 1 2 366.469 2.911 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(c2ncnc3c2C[N@H+](C)CC3)[C@@H]1CC ZINC001091818816 1001960103 /nfs/dbraw/zinc/96/01/03/1001960103.db2.gz SNERYMNJMFBCPC-AYOQOUSVSA-N 1 2 371.529 2.540 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(c2ncnc3c2C[N@@H+](C)CC3)[C@@H]1CC ZINC001091818816 1001960105 /nfs/dbraw/zinc/96/01/05/1001960105.db2.gz SNERYMNJMFBCPC-AYOQOUSVSA-N 1 2 371.529 2.540 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCN(c2ncnc3c2C[N@H+](C)CC3)[C@@H]1CC ZINC001091820512 1001962130 /nfs/dbraw/zinc/96/21/30/1001962130.db2.gz QJRAVMYZWFAXEV-AYOQOUSVSA-N 1 2 371.529 2.540 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCN(c2ncnc3c2C[N@@H+](C)CC3)[C@@H]1CC ZINC001091820512 1001962138 /nfs/dbraw/zinc/96/21/38/1001962138.db2.gz QJRAVMYZWFAXEV-AYOQOUSVSA-N 1 2 371.529 2.540 20 30 FFEDLO CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001110318461 1001964132 /nfs/dbraw/zinc/96/41/32/1001964132.db2.gz PWPJYAGZRFUJHY-AXUOBQJMSA-N 1 2 360.885 2.838 20 30 FFEDLO CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001110318461 1001964141 /nfs/dbraw/zinc/96/41/41/1001964141.db2.gz PWPJYAGZRFUJHY-AXUOBQJMSA-N 1 2 360.885 2.838 20 30 FFEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]NCCc1ccccn1 ZINC000789097436 1001968897 /nfs/dbraw/zinc/96/88/97/1001968897.db2.gz PSXLGPYVGGHBEH-UHFFFAOYSA-N 1 2 370.416 2.522 20 30 FFEDLO C#CC(C)(C)C(=O)NCc1c[nH+]cn1Cc1cccc(Br)c1 ZINC001182642031 1001998079 /nfs/dbraw/zinc/99/80/79/1001998079.db2.gz XNTGQMUOFHYROR-UHFFFAOYSA-N 1 2 360.255 2.970 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001091917820 1002070384 /nfs/dbraw/zinc/07/03/84/1002070384.db2.gz CWIZSGNDQSKWFG-ACJLOTCBSA-N 1 2 350.894 2.566 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001091917820 1002070398 /nfs/dbraw/zinc/07/03/98/1002070398.db2.gz CWIZSGNDQSKWFG-ACJLOTCBSA-N 1 2 350.894 2.566 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC001096770685 1016572731 /nfs/dbraw/zinc/57/27/31/1016572731.db2.gz PRZXFFPTNYHZNT-YRXWBPOGSA-N 1 2 358.869 2.592 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC001096770685 1016572735 /nfs/dbraw/zinc/57/27/35/1016572735.db2.gz PRZXFFPTNYHZNT-YRXWBPOGSA-N 1 2 358.869 2.592 20 30 FFEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@H](C#N)c1c(Cl)cccc1Cl ZINC001183128333 1002159456 /nfs/dbraw/zinc/15/94/56/1002159456.db2.gz RUFFFMXBAVEDSH-CHWSQXEVSA-N 1 2 370.280 2.828 20 30 FFEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@H](C#N)c1c(Cl)cccc1Cl ZINC001183128333 1002159460 /nfs/dbraw/zinc/15/94/60/1002159460.db2.gz RUFFFMXBAVEDSH-CHWSQXEVSA-N 1 2 370.280 2.828 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001091977966 1002238397 /nfs/dbraw/zinc/23/83/97/1002238397.db2.gz COQIKLAQIAWMFT-YSGRDPCXSA-N 1 2 359.518 2.811 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001091977966 1002238402 /nfs/dbraw/zinc/23/84/02/1002238402.db2.gz COQIKLAQIAWMFT-YSGRDPCXSA-N 1 2 359.518 2.811 20 30 FFEDLO N#C[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001183610066 1002315052 /nfs/dbraw/zinc/31/50/52/1002315052.db2.gz TUIFZMHAQRNYIE-NQIIRXRSSA-N 1 2 361.445 2.516 20 30 FFEDLO N#C[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001183610066 1002315062 /nfs/dbraw/zinc/31/50/62/1002315062.db2.gz TUIFZMHAQRNYIE-NQIIRXRSSA-N 1 2 361.445 2.516 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001086584499 1002327729 /nfs/dbraw/zinc/32/77/29/1002327729.db2.gz YWVYXCNLOZHRBF-ZWKOTPCHSA-N 1 2 354.841 2.837 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001086584499 1002327740 /nfs/dbraw/zinc/32/77/40/1002327740.db2.gz YWVYXCNLOZHRBF-ZWKOTPCHSA-N 1 2 354.841 2.837 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnnc(C)c2)C1 ZINC001086584532 1002330638 /nfs/dbraw/zinc/33/06/38/1002330638.db2.gz AFXXFEPFLJACQN-ZWKOTPCHSA-N 1 2 356.857 2.735 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnnc(C)c2)C1 ZINC001086584532 1002330654 /nfs/dbraw/zinc/33/06/54/1002330654.db2.gz AFXXFEPFLJACQN-ZWKOTPCHSA-N 1 2 356.857 2.735 20 30 FFEDLO N#Cc1ccc(O[C@H]2CCCN(C(=O)CCc3ccc(N)[nH+]c3)C2)cc1 ZINC001183935469 1002432770 /nfs/dbraw/zinc/43/27/70/1002432770.db2.gz FIIRWPWEBWBYJZ-SFHVURJKSA-N 1 2 350.422 2.538 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cnc(C)o2)C1 ZINC001086592474 1002530767 /nfs/dbraw/zinc/53/07/67/1002530767.db2.gz OOKPHKDJTFOEIQ-ZWKOTPCHSA-N 1 2 359.857 2.862 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cnc(C)o2)C1 ZINC001086592474 1002530778 /nfs/dbraw/zinc/53/07/78/1002530778.db2.gz OOKPHKDJTFOEIQ-ZWKOTPCHSA-N 1 2 359.857 2.862 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nc3cccnc3s2)C1 ZINC001086592422 1002532218 /nfs/dbraw/zinc/53/22/18/1002532218.db2.gz MFPGTNIWJSUNGJ-DOTOQJQBSA-N 1 2 362.458 2.522 20 30 FFEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nc3cccnc3s2)C1 ZINC001086592422 1002532231 /nfs/dbraw/zinc/53/22/31/1002532231.db2.gz MFPGTNIWJSUNGJ-DOTOQJQBSA-N 1 2 362.458 2.522 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H](Nc2nc(C)[nH+]c(C)c2C)C1 ZINC001092314451 1002664184 /nfs/dbraw/zinc/66/41/84/1002664184.db2.gz IQHIMEPUCRSFSM-IAGOWNOFSA-N 1 2 368.485 2.508 20 30 FFEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1CCOC(=O)Cc1ccccc1CC#N ZINC000774763984 1002664606 /nfs/dbraw/zinc/66/46/06/1002664606.db2.gz RUVBMJHSJYOEQD-GOSISDBHSA-N 1 2 372.465 2.644 20 30 FFEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CCOC(=O)Cc1ccccc1CC#N ZINC000774763984 1002664609 /nfs/dbraw/zinc/66/46/09/1002664609.db2.gz RUVBMJHSJYOEQD-GOSISDBHSA-N 1 2 372.465 2.644 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@@H](C2CC2)O1 ZINC000791553977 1002737877 /nfs/dbraw/zinc/73/78/77/1002737877.db2.gz QIGLDYKOHIZQHY-AZOIQLNYSA-N 1 2 362.433 2.723 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@@H](C2CC2)O1 ZINC000791553977 1002737887 /nfs/dbraw/zinc/73/78/87/1002737887.db2.gz QIGLDYKOHIZQHY-AZOIQLNYSA-N 1 2 362.433 2.723 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110360535 1002913481 /nfs/dbraw/zinc/91/34/81/1002913481.db2.gz CWVHPUGNIIZOEJ-HSGBFHSBSA-N 1 2 371.456 2.734 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110360535 1002913492 /nfs/dbraw/zinc/91/34/92/1002913492.db2.gz CWVHPUGNIIZOEJ-HSGBFHSBSA-N 1 2 371.456 2.734 20 30 FFEDLO C[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001092500758 1002994039 /nfs/dbraw/zinc/99/40/39/1002994039.db2.gz OACASINJCFEPBI-HUUCEWRRSA-N 1 2 369.444 2.632 20 30 FFEDLO CC(C)OCC[NH+]1CCN(c2c(Br)cccc2C#N)CC1 ZINC001185629483 1003008145 /nfs/dbraw/zinc/00/81/45/1003008145.db2.gz CJLGGOHTFPYRDI-UHFFFAOYSA-N 1 2 352.276 2.868 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)n1 ZINC001110366585 1003016197 /nfs/dbraw/zinc/01/61/97/1003016197.db2.gz WQBOSXLVOIEWLJ-DZUCGIPZSA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)n1 ZINC001110366585 1003016207 /nfs/dbraw/zinc/01/62/07/1003016207.db2.gz WQBOSXLVOIEWLJ-DZUCGIPZSA-N 1 2 363.889 2.938 20 30 FFEDLO CN(C)S(=O)(=O)c1ccccc1N=NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000793193754 1003304781 /nfs/dbraw/zinc/30/47/81/1003304781.db2.gz PXDHNCRKNJZNNP-UHFFFAOYSA-N 1 2 369.450 2.569 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNc2[nH+]cnc3c2cnn3C)C1 ZINC001092629973 1003339662 /nfs/dbraw/zinc/33/96/62/1003339662.db2.gz SHPNORBJTKOCCE-HUUCEWRRSA-N 1 2 370.501 2.862 20 30 FFEDLO Cc1cc(N2CC[C@@]3(CNC(=O)[C@H](C)C#N)CCC[C@@H]23)nc(C2CC2)[nH+]1 ZINC001092686925 1003429288 /nfs/dbraw/zinc/42/92/88/1003429288.db2.gz KOMNSAFRMJBVOM-OWDMVUQNSA-N 1 2 353.470 2.687 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[C@@]2(CNC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001092715672 1003481673 /nfs/dbraw/zinc/48/16/73/1003481673.db2.gz ZSPUCDSGKNWQKP-UYAOXDASSA-N 1 2 367.428 2.528 20 30 FFEDLO CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001186965816 1003503669 /nfs/dbraw/zinc/50/36/69/1003503669.db2.gz NGEVWEYQDWKIDZ-VDZJLULYSA-N 1 2 360.885 2.649 20 30 FFEDLO CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001186965816 1003503674 /nfs/dbraw/zinc/50/36/74/1003503674.db2.gz NGEVWEYQDWKIDZ-VDZJLULYSA-N 1 2 360.885 2.649 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1Cl ZINC001110389543 1003556106 /nfs/dbraw/zinc/55/61/06/1003556106.db2.gz XGCGINFMYBKAGT-BMFZPTHFSA-N 1 2 352.837 2.903 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1Cl ZINC001110389543 1003556110 /nfs/dbraw/zinc/55/61/10/1003556110.db2.gz XGCGINFMYBKAGT-BMFZPTHFSA-N 1 2 352.837 2.903 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@](C)(CC)CCCCC)[C@@H](n2ccnn2)C1 ZINC001129470881 1003660334 /nfs/dbraw/zinc/66/03/34/1003660334.db2.gz PUNKICGGLXBQQT-HBFSDRIKSA-N 1 2 359.518 2.640 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@](C)(CC)CCCCC)[C@@H](n2ccnn2)C1 ZINC001129470881 1003660338 /nfs/dbraw/zinc/66/03/38/1003660338.db2.gz PUNKICGGLXBQQT-HBFSDRIKSA-N 1 2 359.518 2.640 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001191301188 1003771627 /nfs/dbraw/zinc/77/16/27/1003771627.db2.gz HPDQGTCFXUSQSH-QGZVFWFLSA-N 1 2 354.475 2.563 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001191301188 1003771633 /nfs/dbraw/zinc/77/16/33/1003771633.db2.gz HPDQGTCFXUSQSH-QGZVFWFLSA-N 1 2 354.475 2.563 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCC2(F)F)C3)c(F)c1 ZINC001095597949 1016826986 /nfs/dbraw/zinc/82/69/86/1016826986.db2.gz HTMBBPWMOKUQHK-OHFALNGGSA-N 1 2 363.383 2.964 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCC2(F)F)C3)c(F)c1 ZINC001095597949 1016827011 /nfs/dbraw/zinc/82/70/11/1016827011.db2.gz HTMBBPWMOKUQHK-OHFALNGGSA-N 1 2 363.383 2.964 20 30 FFEDLO N#Cc1ccc(Cl)cc1S(=O)(=O)NCc1c[nH+]cn1C1CCC1 ZINC001196711011 1003923181 /nfs/dbraw/zinc/92/31/81/1003923181.db2.gz HFQQGZVXUJVUCI-UHFFFAOYSA-N 1 2 350.831 2.612 20 30 FFEDLO N#Cc1cccc(-c2cc(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)no2)c1 ZINC001196775489 1003967812 /nfs/dbraw/zinc/96/78/12/1003967812.db2.gz UQSYSAAGWVRFOG-MRXNPFEDSA-N 1 2 359.389 2.617 20 30 FFEDLO CC(C)CC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)CCCC1 ZINC001196992522 1004034350 /nfs/dbraw/zinc/03/43/50/1004034350.db2.gz FTHYFSKTBNXCEM-NHCUHLMSSA-N 1 2 368.521 2.806 20 30 FFEDLO CC(C)CC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)CCCC1 ZINC001196992522 1004034359 /nfs/dbraw/zinc/03/43/59/1004034359.db2.gz FTHYFSKTBNXCEM-NHCUHLMSSA-N 1 2 368.521 2.806 20 30 FFEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(Cl)cc1F ZINC000807328638 1004563280 /nfs/dbraw/zinc/56/32/80/1004563280.db2.gz LIAGWAXNDRBKNY-HNNXBMFYSA-N 1 2 370.771 2.556 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O)C(C)(C)C ZINC001194137539 1004671469 /nfs/dbraw/zinc/67/14/69/1004671469.db2.gz VHZZSGYLQFBLKE-BMGDILEWSA-N 1 2 362.901 2.535 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O)C(C)(C)C ZINC001194137539 1004671477 /nfs/dbraw/zinc/67/14/77/1004671477.db2.gz VHZZSGYLQFBLKE-BMGDILEWSA-N 1 2 362.901 2.535 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000807746966 1004676073 /nfs/dbraw/zinc/67/60/73/1004676073.db2.gz RFTZPONYMZGDHP-JXFKEZNVSA-N 1 2 365.518 2.742 20 30 FFEDLO CCCCCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001198888281 1004774808 /nfs/dbraw/zinc/77/48/08/1004774808.db2.gz AQBPTWFSGCPZNS-IAGOWNOFSA-N 1 2 363.527 2.888 20 30 FFEDLO CCCCCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001198888281 1004774812 /nfs/dbraw/zinc/77/48/12/1004774812.db2.gz AQBPTWFSGCPZNS-IAGOWNOFSA-N 1 2 363.527 2.888 20 30 FFEDLO CCCC(CCC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001195654384 1005017435 /nfs/dbraw/zinc/01/74/35/1005017435.db2.gz RLRKBDPXINKXAZ-WOJBJXKFSA-N 1 2 360.473 2.555 20 30 FFEDLO CCCC(CCC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001195654384 1005017442 /nfs/dbraw/zinc/01/74/42/1005017442.db2.gz RLRKBDPXINKXAZ-WOJBJXKFSA-N 1 2 360.473 2.555 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3sccc3Cl)C[C@H]2O)CCC1 ZINC001195897081 1005062800 /nfs/dbraw/zinc/06/28/00/1005062800.db2.gz NZXGDGQYQDNJLE-ZIAGYGMSSA-N 1 2 354.903 2.809 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3sccc3Cl)C[C@H]2O)CCC1 ZINC001195897081 1005062804 /nfs/dbraw/zinc/06/28/04/1005062804.db2.gz NZXGDGQYQDNJLE-ZIAGYGMSSA-N 1 2 354.903 2.809 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3nc4ccccc4o3)C[C@H]2O)CCC1 ZINC001195897140 1005063063 /nfs/dbraw/zinc/06/30/63/1005063063.db2.gz QJQFSUOGCZTILX-USXIJHARSA-N 1 2 369.465 2.797 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3nc4ccccc4o3)C[C@H]2O)CCC1 ZINC001195897140 1005063067 /nfs/dbraw/zinc/06/30/67/1005063067.db2.gz QJQFSUOGCZTILX-USXIJHARSA-N 1 2 369.465 2.797 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC001110550895 1005094962 /nfs/dbraw/zinc/09/49/62/1005094962.db2.gz JCSPJHZFCRYZQL-HZMVEIRTSA-N 1 2 373.497 2.795 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC001110550895 1005094968 /nfs/dbraw/zinc/09/49/68/1005094968.db2.gz JCSPJHZFCRYZQL-HZMVEIRTSA-N 1 2 373.497 2.795 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2nc(C)sc2C)[C@@H]1C ZINC001489254167 1005439565 /nfs/dbraw/zinc/43/95/65/1005439565.db2.gz URTMXHITBGOTKL-IOASZLSFSA-N 1 2 351.516 2.820 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)sc2C)[C@@H]1C ZINC001489254167 1005439567 /nfs/dbraw/zinc/43/95/67/1005439567.db2.gz URTMXHITBGOTKL-IOASZLSFSA-N 1 2 351.516 2.820 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cccc(OC)c1 ZINC001110605872 1005529754 /nfs/dbraw/zinc/52/97/54/1005529754.db2.gz MEYFMEZGMZQESA-QRQLOZEOSA-N 1 2 371.481 2.712 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cccc(OC)c1 ZINC001110605872 1005529755 /nfs/dbraw/zinc/52/97/55/1005529755.db2.gz MEYFMEZGMZQESA-QRQLOZEOSA-N 1 2 371.481 2.712 20 30 FFEDLO CCn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC#Cc2ccccc2)C3)n1 ZINC001111442110 1016979330 /nfs/dbraw/zinc/97/93/30/1016979330.db2.gz AFWDNOPVNWNZIV-NJYVYQBISA-N 1 2 362.477 2.566 20 30 FFEDLO CCn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC#Cc2ccccc2)C3)n1 ZINC001111442110 1016979340 /nfs/dbraw/zinc/97/93/40/1016979340.db2.gz AFWDNOPVNWNZIV-NJYVYQBISA-N 1 2 362.477 2.566 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1CC ZINC001490004239 1005630156 /nfs/dbraw/zinc/63/01/56/1005630156.db2.gz HRNCFSCCTDFSLH-OKZBNKHCSA-N 1 2 360.502 2.761 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001490706760 1005757607 /nfs/dbraw/zinc/75/76/07/1005757607.db2.gz RICGTNSGBQONIH-XGKMFUNXSA-N 1 2 358.486 2.538 20 30 FFEDLO N#CCOc1ccc(CC(=O)OCC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000851399524 1005880706 /nfs/dbraw/zinc/88/07/06/1005880706.db2.gz WPDDJQLMFZVENY-UHFFFAOYSA-N 1 2 365.433 2.986 20 30 FFEDLO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[nH]c1-c1ccccn1)C2 ZINC001110641466 1005938928 /nfs/dbraw/zinc/93/89/28/1005938928.db2.gz RCGZYIGTALRVPB-OLMNPRSZSA-N 1 2 351.454 2.773 20 30 FFEDLO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[nH]c1-c1ccccn1)C2 ZINC001110641466 1005938929 /nfs/dbraw/zinc/93/89/29/1005938929.db2.gz RCGZYIGTALRVPB-OLMNPRSZSA-N 1 2 351.454 2.773 20 30 FFEDLO COCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CC1 ZINC001110645933 1005957067 /nfs/dbraw/zinc/95/70/67/1005957067.db2.gz UZQNPHFCQWRKHK-QRVBRYPASA-N 1 2 353.466 2.596 20 30 FFEDLO COCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CC1 ZINC001110645933 1005957070 /nfs/dbraw/zinc/95/70/70/1005957070.db2.gz UZQNPHFCQWRKHK-QRVBRYPASA-N 1 2 353.466 2.596 20 30 FFEDLO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+]3CCC[C@H](CC#N)C3)cc2)C[C@@H](C)O1 ZINC000852319578 1005976535 /nfs/dbraw/zinc/97/65/35/1005976535.db2.gz PJZXESJGVNTGQM-KZNAEPCWSA-N 1 2 370.497 2.864 20 30 FFEDLO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3CCC[C@H](CC#N)C3)cc2)C[C@@H](C)O1 ZINC000852319578 1005976541 /nfs/dbraw/zinc/97/65/41/1005976541.db2.gz PJZXESJGVNTGQM-KZNAEPCWSA-N 1 2 370.497 2.864 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001187280636 1005997637 /nfs/dbraw/zinc/99/76/37/1005997637.db2.gz NIJXKNCXAATVNH-HRCADAONSA-N 1 2 361.486 2.768 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001187280636 1005997644 /nfs/dbraw/zinc/99/76/44/1005997644.db2.gz NIJXKNCXAATVNH-HRCADAONSA-N 1 2 361.486 2.768 20 30 FFEDLO N#CCn1c(C[NH+]2CCC([C@@H]3CCCCO3)CC2)nc2ccccc2c1=O ZINC000852594477 1006094442 /nfs/dbraw/zinc/09/44/42/1006094442.db2.gz NILOBOCUYZRWBD-IBGZPJMESA-N 1 2 366.465 2.701 20 30 FFEDLO CC(C)(C)OCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187605891 1006166543 /nfs/dbraw/zinc/16/65/43/1006166543.db2.gz XDAPPYGLUVEKQT-MAUKXSAKSA-N 1 2 359.445 2.545 20 30 FFEDLO CC(C)(C)OCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187605891 1006166551 /nfs/dbraw/zinc/16/65/51/1006166551.db2.gz XDAPPYGLUVEKQT-MAUKXSAKSA-N 1 2 359.445 2.545 20 30 FFEDLO C=CCCOCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nocc3C)C[C@H]21 ZINC001187904640 1006296219 /nfs/dbraw/zinc/29/62/19/1006296219.db2.gz WWSIIENVHYCODI-PKOBYXMFSA-N 1 2 361.486 2.779 20 30 FFEDLO C=CCCOCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nocc3C)C[C@H]21 ZINC001187904640 1006296230 /nfs/dbraw/zinc/29/62/30/1006296230.db2.gz WWSIIENVHYCODI-PKOBYXMFSA-N 1 2 361.486 2.779 20 30 FFEDLO C=CCCOCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]21 ZINC001187919506 1006317159 /nfs/dbraw/zinc/31/71/59/1006317159.db2.gz INLVRGNDJKYSKK-ZWKOTPCHSA-N 1 2 361.486 2.779 20 30 FFEDLO C=CCCOCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]21 ZINC001187919506 1006317168 /nfs/dbraw/zinc/31/71/68/1006317168.db2.gz INLVRGNDJKYSKK-ZWKOTPCHSA-N 1 2 361.486 2.779 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1Cc3ccccc3O1)C2 ZINC001095717016 1017045342 /nfs/dbraw/zinc/04/53/42/1017045342.db2.gz NHWMOJVASXIECE-AQCRLBJHSA-N 1 2 373.456 2.783 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1Cc3ccccc3O1)C2 ZINC001095717016 1017045356 /nfs/dbraw/zinc/04/53/56/1017045356.db2.gz NHWMOJVASXIECE-AQCRLBJHSA-N 1 2 373.456 2.783 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2noc(-c3ccccc3C)n2)cc1OC ZINC000130963762 1006642463 /nfs/dbraw/zinc/64/24/63/1006642463.db2.gz RYFKXYOOCGALQA-UHFFFAOYSA-N 1 2 368.393 2.899 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000854082482 1006668767 /nfs/dbraw/zinc/66/87/67/1006668767.db2.gz HJTMXBFMTLHTAT-HNNXBMFYSA-N 1 2 369.469 2.518 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Br)c1 ZINC001110402000 1006718180 /nfs/dbraw/zinc/71/81/80/1006718180.db2.gz URYJTBTTZVTJKE-MPESAESLSA-N 1 2 362.271 2.830 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Br)c1 ZINC001110402000 1006718186 /nfs/dbraw/zinc/71/81/86/1006718186.db2.gz URYJTBTTZVTJKE-MPESAESLSA-N 1 2 362.271 2.830 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(C)n3C3CC3)C[C@H]21 ZINC001188807454 1006742746 /nfs/dbraw/zinc/74/27/46/1006742746.db2.gz DNLBPOQSWRFRMZ-PKOBYXMFSA-N 1 2 369.513 2.538 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nnc(C)n3C3CC3)C[C@H]21 ZINC001188807454 1006742759 /nfs/dbraw/zinc/74/27/59/1006742759.db2.gz DNLBPOQSWRFRMZ-PKOBYXMFSA-N 1 2 369.513 2.538 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001188884814 1006766791 /nfs/dbraw/zinc/76/67/91/1006766791.db2.gz LVWQZRDNASGHPK-FUHIMQAGSA-N 1 2 356.514 2.854 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001188884814 1006766805 /nfs/dbraw/zinc/76/68/05/1006766805.db2.gz LVWQZRDNASGHPK-FUHIMQAGSA-N 1 2 356.514 2.854 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CCC)OCC)[C@@H]2C1 ZINC001188886713 1006785337 /nfs/dbraw/zinc/78/53/37/1006785337.db2.gz YDBVVSURCRVFGE-ZNMIVQPWSA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CCC)OCC)[C@@H]2C1 ZINC001188886713 1006785352 /nfs/dbraw/zinc/78/53/52/1006785352.db2.gz YDBVVSURCRVFGE-ZNMIVQPWSA-N 1 2 359.308 2.633 20 30 FFEDLO Cc1cccn2cc(CC(=O)N3CCC[C@@](C#N)(c4ccccn4)C3)[nH+]c12 ZINC000855308069 1007265808 /nfs/dbraw/zinc/26/58/08/1007265808.db2.gz VNPFAGHSHDXXSS-NRFANRHFSA-N 1 2 359.433 2.664 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2OC(=O)c2ccccc2O)CC1 ZINC001189805341 1007283770 /nfs/dbraw/zinc/28/37/70/1007283770.db2.gz DYQDMESQLWQIIP-UHFFFAOYSA-N 1 2 366.417 2.555 20 30 FFEDLO CSc1ccc(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)nc[nH+]2)cc1C#N ZINC000884643488 1007500731 /nfs/dbraw/zinc/50/07/31/1007500731.db2.gz JBEMVFPIELVAEX-HIFRSBDPSA-N 1 2 369.494 2.889 20 30 FFEDLO CSc1ccc(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)cc1C#N ZINC000884643488 1007500739 /nfs/dbraw/zinc/50/07/39/1007500739.db2.gz JBEMVFPIELVAEX-HIFRSBDPSA-N 1 2 369.494 2.889 20 30 FFEDLO Cc1cccn2cc(CCNS(=O)(=O)c3ccc(CCC#N)cc3)[nH+]c12 ZINC000885041420 1007629873 /nfs/dbraw/zinc/62/98/73/1007629873.db2.gz XRNWHDGLFRDXKV-UHFFFAOYSA-N 1 2 368.462 2.620 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000819275917 1008097406 /nfs/dbraw/zinc/09/74/06/1008097406.db2.gz WPISZSAJAQIIND-AWEZNQCLSA-N 1 2 357.414 2.860 20 30 FFEDLO Cc1ccc(O[C@@H]2CC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)nc1 ZINC000858042010 1008287271 /nfs/dbraw/zinc/28/72/71/1008287271.db2.gz NODRXEAAQIZBOL-HZPDHXFCSA-N 1 2 368.462 2.582 20 30 FFEDLO Cc1ccc(O[C@@H]2CC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)nc1 ZINC000858042010 1008287275 /nfs/dbraw/zinc/28/72/75/1008287275.db2.gz NODRXEAAQIZBOL-HZPDHXFCSA-N 1 2 368.462 2.582 20 30 FFEDLO COC(=O)c1cc(C#N)ccc1-c1cc(C[NH+]2CCOCC2)ccc1OC ZINC001206502083 1032315208 /nfs/dbraw/zinc/31/52/08/1032315208.db2.gz AHBISUJFRPBMAR-UHFFFAOYSA-N 1 2 366.417 2.853 20 30 FFEDLO C#CC[C@H](COC)Nc1nc(N[C@@H](CC#C)COC)c2ccccc2[nH+]1 ZINC000858859203 1008438671 /nfs/dbraw/zinc/43/86/71/1008438671.db2.gz DQFZHUSFFQJURC-JKSUJKDBSA-N 1 2 352.438 2.530 20 30 FFEDLO CC(C)C[C@@H](C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)n1cc[nH+]c1 ZINC000821399514 1008452320 /nfs/dbraw/zinc/45/23/20/1008452320.db2.gz KUQGMVIVGRVOIU-OALUTQOASA-N 1 2 352.438 2.942 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)CC)CCCC1 ZINC001110212405 1008683972 /nfs/dbraw/zinc/68/39/72/1008683972.db2.gz BQYKHJPCDOAGGW-BDXSIMOUSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)CC)CCCC1 ZINC001110212405 1008683982 /nfs/dbraw/zinc/68/39/82/1008683982.db2.gz BQYKHJPCDOAGGW-BDXSIMOUSA-N 1 2 361.530 2.759 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000859885715 1008709965 /nfs/dbraw/zinc/70/99/65/1008709965.db2.gz LWNAZSQENPBANC-WSBPHRSRSA-N 1 2 372.534 2.852 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000859885715 1008709980 /nfs/dbraw/zinc/70/99/80/1008709980.db2.gz LWNAZSQENPBANC-WSBPHRSRSA-N 1 2 372.534 2.852 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Br)s2)C[C@H]1C ZINC001206662402 1032376391 /nfs/dbraw/zinc/37/63/91/1032376391.db2.gz IXXKHUJROVFBTO-CKYFFXLPSA-N 1 2 356.289 2.607 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Br)s2)C[C@H]1C ZINC001206662402 1032376395 /nfs/dbraw/zinc/37/63/95/1032376395.db2.gz IXXKHUJROVFBTO-CKYFFXLPSA-N 1 2 356.289 2.607 20 30 FFEDLO Cc1nc(N2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC001090725907 1009219866 /nfs/dbraw/zinc/21/98/66/1009219866.db2.gz OKWNTMFYHDOZDQ-FOIQADDNSA-N 1 2 362.477 2.785 20 30 FFEDLO C[C@@H]1C[N@H+](CCNC(=O)C2(c3ccc(C#N)cc3)CCCC2)[C@@H](C)CO1 ZINC000862171769 1009730983 /nfs/dbraw/zinc/73/09/83/1009730983.db2.gz QOJPENQRPQDTMI-DLBZAZTESA-N 1 2 355.482 2.595 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNC(=O)C2(c3ccc(C#N)cc3)CCCC2)[C@@H](C)CO1 ZINC000862171769 1009730995 /nfs/dbraw/zinc/73/09/95/1009730995.db2.gz QOJPENQRPQDTMI-DLBZAZTESA-N 1 2 355.482 2.595 20 30 FFEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(Cl)cc2C#C[Si](C)(C)C)C1 ZINC001180759871 1009823869 /nfs/dbraw/zinc/82/38/69/1009823869.db2.gz LAVJATDYSFVDFA-INIZCTEOSA-N 1 2 350.922 2.838 20 30 FFEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ccc(Cl)cc2C#C[Si](C)(C)C)C1 ZINC001180759871 1009823887 /nfs/dbraw/zinc/82/38/87/1009823887.db2.gz LAVJATDYSFVDFA-INIZCTEOSA-N 1 2 350.922 2.838 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNc2[nH+]cnc3c2cnn3C)C1 ZINC001093126275 1009941146 /nfs/dbraw/zinc/94/11/46/1009941146.db2.gz NHOYAQIHSHYSBI-YWZLYKJASA-N 1 2 368.485 2.760 20 30 FFEDLO CCOC(=O)CCCc1ccc(C#N)cc1NC(=O)Cc1cc[nH+]c(N)c1 ZINC001181263857 1010044370 /nfs/dbraw/zinc/04/43/70/1010044370.db2.gz RXMYRRAMLNXFRV-UHFFFAOYSA-N 1 2 366.421 2.602 20 30 FFEDLO CCCC[C@@H](CNc1ccc(C#N)nc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001114327112 1010101710 /nfs/dbraw/zinc/10/17/10/1010101710.db2.gz JDBAOLJNHRHYRP-GVDBMIGSSA-N 1 2 352.442 2.567 20 30 FFEDLO CCCC[C@@H](CNc1ccc(C#N)nc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001114327112 1010101718 /nfs/dbraw/zinc/10/17/18/1010101718.db2.gz JDBAOLJNHRHYRP-GVDBMIGSSA-N 1 2 352.442 2.567 20 30 FFEDLO CCCC[C@@H](CNc1ccc(C#N)cn1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001114330806 1010134589 /nfs/dbraw/zinc/13/45/89/1010134589.db2.gz GWTSDQYXBUVNKY-ARFHVFGLSA-N 1 2 352.442 2.567 20 30 FFEDLO CCCC[C@@H](CNc1ccc(C#N)cn1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001114330806 1010134597 /nfs/dbraw/zinc/13/45/97/1010134597.db2.gz GWTSDQYXBUVNKY-ARFHVFGLSA-N 1 2 352.442 2.567 20 30 FFEDLO Cc1c(NC[C@H](O)C[N@H+](C)CCC#N)cccc1NC(=O)OC(C)(C)C ZINC000863573870 1010258820 /nfs/dbraw/zinc/25/88/20/1010258820.db2.gz CYDWXWDZHNLHHC-HNNXBMFYSA-N 1 2 362.474 2.960 20 30 FFEDLO Cc1c(NC[C@H](O)C[N@@H+](C)CCC#N)cccc1NC(=O)OC(C)(C)C ZINC000863573870 1010258829 /nfs/dbraw/zinc/25/88/29/1010258829.db2.gz CYDWXWDZHNLHHC-HNNXBMFYSA-N 1 2 362.474 2.960 20 30 FFEDLO CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000773981496 1010405563 /nfs/dbraw/zinc/40/55/63/1010405563.db2.gz YWLAVLSWIAQKIL-SJORKVTESA-N 1 2 373.522 2.896 20 30 FFEDLO CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000773981496 1010405569 /nfs/dbraw/zinc/40/55/69/1010405569.db2.gz YWLAVLSWIAQKIL-SJORKVTESA-N 1 2 373.522 2.896 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)C[C@H]1C ZINC001206911443 1032493065 /nfs/dbraw/zinc/49/30/65/1032493065.db2.gz QBDHJVHXFJGBKX-RHSMWYFYSA-N 1 2 370.428 2.616 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccc(F)cc3)no2)C[C@H]1C ZINC001206911443 1032493072 /nfs/dbraw/zinc/49/30/72/1032493072.db2.gz QBDHJVHXFJGBKX-RHSMWYFYSA-N 1 2 370.428 2.616 20 30 FFEDLO C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000120473481 1010754306 /nfs/dbraw/zinc/75/43/06/1010754306.db2.gz GOVVNFPISTYBQV-OAHLLOKOSA-N 1 2 354.385 2.633 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(c2cc(C(F)(F)F)cc(C#N)n2)CC1 ZINC000865439296 1010785423 /nfs/dbraw/zinc/78/54/23/1010785423.db2.gz RTJQFTBDIBDVTC-UHFFFAOYSA-N 1 2 365.359 2.899 20 30 FFEDLO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2O)N2CCOCC2)o1 ZINC000866220514 1010953966 /nfs/dbraw/zinc/95/39/66/1010953966.db2.gz GSGTVIKFBJSOJW-MAUKXSAKSA-N 1 2 355.438 2.889 20 30 FFEDLO C[C@@H]([NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1)c1cccc(C#N)c1O ZINC000866527902 1011011553 /nfs/dbraw/zinc/01/15/53/1011011553.db2.gz QYXKLEKCBHJNKD-CQSZACIVSA-N 1 2 359.470 2.721 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccnc1OC ZINC001110859902 1011252960 /nfs/dbraw/zinc/25/29/60/1011252960.db2.gz PHBBWWZFYWNOTQ-DCXXXQMHSA-N 1 2 373.497 2.541 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccnc1OC ZINC001110859902 1011252976 /nfs/dbraw/zinc/25/29/76/1011252976.db2.gz PHBBWWZFYWNOTQ-DCXXXQMHSA-N 1 2 373.497 2.541 20 30 FFEDLO C=CCC(C)(C)CNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000644980875 1011293619 /nfs/dbraw/zinc/29/36/19/1011293619.db2.gz SQRXQYQDATZZJX-UHFFFAOYSA-N 1 2 358.486 2.798 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+]([C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171548221 1011377048 /nfs/dbraw/zinc/37/70/48/1011377048.db2.gz WOOMUWFBDQZEBE-LBPRGKRZSA-N 1 2 352.356 2.740 20 30 FFEDLO C#Cc1cccc(CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000868685918 1011420087 /nfs/dbraw/zinc/42/00/87/1011420087.db2.gz DDRHCVDBDMKPKK-UHFFFAOYSA-N 1 2 366.490 2.616 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCC[C@H](CC#N)C3)C2)cc1 ZINC000869099958 1011609481 /nfs/dbraw/zinc/60/94/81/1011609481.db2.gz AZDIARGLMVKNBH-QUCCMNQESA-N 1 2 370.497 2.531 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCC[C@H](CC#N)C3)C2)cc1 ZINC000869099958 1011609489 /nfs/dbraw/zinc/60/94/89/1011609489.db2.gz AZDIARGLMVKNBH-QUCCMNQESA-N 1 2 370.497 2.531 20 30 FFEDLO CCOC(=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172295343 1011756007 /nfs/dbraw/zinc/75/60/07/1011756007.db2.gz QQMYXMALCWNTKX-MGPUTAFESA-N 1 2 352.434 2.959 20 30 FFEDLO CCOC(=O)c1c(C)oc(Nc2ccc(C[NH+]3CC(O)C3)cc2)c1C#N ZINC001212666643 1011859901 /nfs/dbraw/zinc/85/99/01/1011859901.db2.gz YQHOHXKKSHBMIF-UHFFFAOYSA-N 1 2 355.394 2.557 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2(c3ccccc3)COC2)C[C@H]1C#N ZINC001172968213 1012134312 /nfs/dbraw/zinc/13/43/12/1012134312.db2.gz JMTLGZIYARTJJA-IRXDYDNUSA-N 1 2 357.454 2.793 20 30 FFEDLO C#CCN1C[C@@]2(F)C[N@@H+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@]2(F)C1=O ZINC001275478713 1012513302 /nfs/dbraw/zinc/51/33/02/1012513302.db2.gz WWMLMAPOBRZUBT-TWKWOARYSA-N 1 2 364.823 2.651 20 30 FFEDLO C#CCN1C[C@@]2(F)C[N@H+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@]2(F)C1=O ZINC001275478713 1012513313 /nfs/dbraw/zinc/51/33/13/1012513313.db2.gz WWMLMAPOBRZUBT-TWKWOARYSA-N 1 2 364.823 2.651 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1cc(-c2ccccc2)on1 ZINC001275659437 1012782829 /nfs/dbraw/zinc/78/28/29/1012782829.db2.gz UUJCUBRQGSDAFZ-IPELMVKDSA-N 1 2 369.465 2.869 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(-c2ccccc2)on1 ZINC001275659437 1012782843 /nfs/dbraw/zinc/78/28/43/1012782843.db2.gz UUJCUBRQGSDAFZ-IPELMVKDSA-N 1 2 369.465 2.869 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CC3(C2)COCC(=O)N3C2CCCC2)cc1 ZINC001275675656 1012827826 /nfs/dbraw/zinc/82/78/26/1012827826.db2.gz MDDVGEUYBWJQFD-UHFFFAOYSA-N 1 2 356.466 2.607 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2CCOCC2)C3)c1 ZINC001095253418 1012908809 /nfs/dbraw/zinc/90/88/09/1012908809.db2.gz DCTWDINJDRLNEY-HOJAQTOUSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2CCOCC2)C3)c1 ZINC001095253418 1012908818 /nfs/dbraw/zinc/90/88/18/1012908818.db2.gz DCTWDINJDRLNEY-HOJAQTOUSA-N 1 2 371.456 2.736 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3OCCOC)[C@@H]2C1 ZINC001222033600 1032677512 /nfs/dbraw/zinc/67/75/12/1032677512.db2.gz YVYKCCKDUBIELF-NVXWUHKLSA-N 1 2 364.873 2.611 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3OCCOC)[C@@H]2C1 ZINC001222033600 1032677520 /nfs/dbraw/zinc/67/75/20/1032677520.db2.gz YVYKCCKDUBIELF-NVXWUHKLSA-N 1 2 364.873 2.611 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCC)c1ccccc1 ZINC001111443558 1017115033 /nfs/dbraw/zinc/11/50/33/1017115033.db2.gz OPVOZTZEUKYXMW-WTGUMLROSA-N 1 2 369.509 2.594 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCC)c1ccccc1 ZINC001111443558 1017115042 /nfs/dbraw/zinc/11/50/42/1017115042.db2.gz OPVOZTZEUKYXMW-WTGUMLROSA-N 1 2 369.509 2.594 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)nc(C)n1 ZINC001098031607 1017135439 /nfs/dbraw/zinc/13/54/39/1017135439.db2.gz LCUREEKYYVZEPP-GGPKGHCWSA-N 1 2 361.449 2.500 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)nc(C)n1 ZINC001098031607 1017135444 /nfs/dbraw/zinc/13/54/44/1017135444.db2.gz LCUREEKYYVZEPP-GGPKGHCWSA-N 1 2 361.449 2.500 20 30 FFEDLO COCc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)o1 ZINC001095725446 1017152333 /nfs/dbraw/zinc/15/23/33/1017152333.db2.gz GDVAWFPMVFSBAR-DQYPLSBCSA-N 1 2 371.462 2.894 20 30 FFEDLO COCc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)o1 ZINC001095725446 1017152342 /nfs/dbraw/zinc/15/23/42/1017152342.db2.gz GDVAWFPMVFSBAR-DQYPLSBCSA-N 1 2 371.462 2.894 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(C)(C)C)s3)[C@@H]2C1 ZINC001222038195 1032684013 /nfs/dbraw/zinc/68/40/13/1032684013.db2.gz QQMJOGXXAFDCKY-HZPDHXFCSA-N 1 2 360.523 2.842 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(C)(C)C)s3)[C@@H]2C1 ZINC001222038195 1032684018 /nfs/dbraw/zinc/68/40/18/1032684018.db2.gz QQMJOGXXAFDCKY-HZPDHXFCSA-N 1 2 360.523 2.842 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccsn1)C2 ZINC001097306184 1017318264 /nfs/dbraw/zinc/31/82/64/1017318264.db2.gz BTJCFNGROAVLJL-OIISXLGYSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccsn1)C2 ZINC001097306184 1017318270 /nfs/dbraw/zinc/31/82/70/1017318270.db2.gz BTJCFNGROAVLJL-OIISXLGYSA-N 1 2 368.462 2.559 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cc(C)[nH+]c(C3CC3)n2)cn1 ZINC001055367505 1017362266 /nfs/dbraw/zinc/36/22/66/1017362266.db2.gz PPQPTWSAWMLVHY-QRVBRYPASA-N 1 2 373.460 2.578 20 30 FFEDLO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cccc(C#N)c1O ZINC000924615508 1017374490 /nfs/dbraw/zinc/37/44/90/1017374490.db2.gz OMXSJVVHQBYZJO-GOSISDBHSA-N 1 2 352.438 2.736 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccnc1N1CCCC1)C2 ZINC001097459462 1017493050 /nfs/dbraw/zinc/49/30/50/1017493050.db2.gz WETTUFYDAZODBI-OIISXLGYSA-N 1 2 360.889 2.769 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccnc1N1CCCC1)C2 ZINC001097459462 1017493059 /nfs/dbraw/zinc/49/30/59/1017493059.db2.gz WETTUFYDAZODBI-OIISXLGYSA-N 1 2 360.889 2.769 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCC1 ZINC001110899607 1017654555 /nfs/dbraw/zinc/65/45/55/1017654555.db2.gz JVWLOGKWDQZNPS-AQNXPRMDSA-N 1 2 373.541 2.741 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCC1 ZINC001110899607 1017654564 /nfs/dbraw/zinc/65/45/64/1017654564.db2.gz JVWLOGKWDQZNPS-AQNXPRMDSA-N 1 2 373.541 2.741 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCC(C)CC1 ZINC001110899574 1017655045 /nfs/dbraw/zinc/65/50/45/1017655045.db2.gz ILATYTAKSWELBQ-ILEACXBISA-N 1 2 361.530 2.615 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCC(C)CC1 ZINC001110899574 1017655052 /nfs/dbraw/zinc/65/50/52/1017655052.db2.gz ILATYTAKSWELBQ-ILEACXBISA-N 1 2 361.530 2.615 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(CNc3cc[nH+]c(C)n3)C2)nc1 ZINC001055661887 1017853252 /nfs/dbraw/zinc/85/32/52/1017853252.db2.gz CLEYEOQQPCPJIC-UWJYYQICSA-N 1 2 361.449 2.516 20 30 FFEDLO Cc1nocc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001097761931 1017889833 /nfs/dbraw/zinc/88/98/33/1017889833.db2.gz YVASAPXLZBWVMQ-OLMNPRSZSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1nocc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001097761931 1017889858 /nfs/dbraw/zinc/88/98/58/1017889858.db2.gz YVASAPXLZBWVMQ-OLMNPRSZSA-N 1 2 354.385 2.529 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2=CCOCC2)C3)c1 ZINC001097794356 1017939538 /nfs/dbraw/zinc/93/95/38/1017939538.db2.gz NPSZSRPEBGWWFH-RLLQIKCJSA-N 1 2 369.440 2.656 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2=CCOCC2)C3)c1 ZINC001097794356 1017939546 /nfs/dbraw/zinc/93/95/46/1017939546.db2.gz NPSZSRPEBGWWFH-RLLQIKCJSA-N 1 2 369.440 2.656 20 30 FFEDLO CC(C)n1cc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 ZINC000926113861 1017971618 /nfs/dbraw/zinc/97/16/18/1017971618.db2.gz BPDPYSVEDNGCEN-PBHICJAKSA-N 1 2 352.442 2.577 20 30 FFEDLO CCOC1CC(C[NH2+][C@H](CC)c2cccc(C#N)c2O)(N2CCOCC2)C1 ZINC000926294149 1018078838 /nfs/dbraw/zinc/07/88/38/1018078838.db2.gz BSYDLAIKURQDIG-MOMVYJMYSA-N 1 2 373.497 2.574 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(F)cccc1F ZINC001097879438 1018147931 /nfs/dbraw/zinc/14/79/31/1018147931.db2.gz RQJPCQVOLKYUOU-WIGVXDQRSA-N 1 2 362.420 2.777 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(F)cccc1F ZINC001097879438 1018147942 /nfs/dbraw/zinc/14/79/42/1018147942.db2.gz RQJPCQVOLKYUOU-WIGVXDQRSA-N 1 2 362.420 2.777 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(C[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC001053259684 1018227767 /nfs/dbraw/zinc/22/77/67/1018227767.db2.gz ILZQMYHEIZPLCT-RLLQIKCJSA-N 1 2 370.493 2.642 20 30 FFEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)CCO2 ZINC001053537397 1018355608 /nfs/dbraw/zinc/35/56/08/1018355608.db2.gz DOJJHXYINSUPCK-JKSUJKDBSA-N 1 2 362.420 2.558 20 30 FFEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1CC)O2 ZINC001053655041 1018402086 /nfs/dbraw/zinc/40/20/86/1018402086.db2.gz ZWCXXRIGFWFDGA-YZGWKJHDSA-N 1 2 354.494 2.888 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H](C)c3nc4ccccc4o3)C[C@@H]21 ZINC001217504130 1032762082 /nfs/dbraw/zinc/76/20/82/1032762082.db2.gz TVLPJGDLUDBQAR-QILLFSRXSA-N 1 2 355.438 2.767 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H](C)c3nc4ccccc4o3)C[C@@H]21 ZINC001217504130 1032762097 /nfs/dbraw/zinc/76/20/97/1032762097.db2.gz TVLPJGDLUDBQAR-QILLFSRXSA-N 1 2 355.438 2.767 20 30 FFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000827574912 1018499010 /nfs/dbraw/zinc/49/90/10/1018499010.db2.gz IZIFNPNEWWOYII-CVEARBPZSA-N 1 2 359.470 2.574 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)nc(C)n1 ZINC001096159478 1018968547 /nfs/dbraw/zinc/96/85/47/1018968547.db2.gz LCUREEKYYVZEPP-HBFSDRIKSA-N 1 2 361.449 2.500 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)nc(C)n1 ZINC001096159478 1018968558 /nfs/dbraw/zinc/96/85/58/1018968558.db2.gz LCUREEKYYVZEPP-HBFSDRIKSA-N 1 2 361.449 2.500 20 30 FFEDLO CCCN1C/C(=C\c2cncn2CC)C(=O)/C(=C/c2c[nH+]cn2CC)C1 ZINC000901416876 1019058797 /nfs/dbraw/zinc/05/87/97/1019058797.db2.gz HCXFOKFTWAYHNJ-GONBZBRSSA-N 1 2 353.470 2.881 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001042560390 1019070858 /nfs/dbraw/zinc/07/08/58/1019070858.db2.gz XIPHVVMUWWKRJA-MAAHGYRXSA-N 1 2 372.513 2.714 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001067886320 1019169762 /nfs/dbraw/zinc/16/97/62/1019169762.db2.gz UQKRFAATXAPNDS-BNICSPFPSA-N 1 2 356.470 2.560 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CC[C@H](CNC(=O)c3cccc4[nH+]ccn43)C2)nc1 ZINC001047446156 1019248523 /nfs/dbraw/zinc/24/85/23/1019248523.db2.gz MNQPSSQWKAWOAK-GOEBONIOSA-N 1 2 360.421 2.612 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)ccn1 ZINC001098070450 1019307375 /nfs/dbraw/zinc/30/73/75/1019307375.db2.gz SUWUGDKXRKAXJW-RLLQIKCJSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)ccn1 ZINC001098070450 1019307389 /nfs/dbraw/zinc/30/73/89/1019307389.db2.gz SUWUGDKXRKAXJW-RLLQIKCJSA-N 1 2 364.424 2.936 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(c2ccccc2)C1=O ZINC001110966964 1019384865 /nfs/dbraw/zinc/38/48/65/1019384865.db2.gz MJAPHORWZBNDRQ-YSTOQKLRSA-N 1 2 367.493 2.870 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(c2ccccc2)C1=O ZINC001110966964 1019384880 /nfs/dbraw/zinc/38/48/80/1019384880.db2.gz MJAPHORWZBNDRQ-YSTOQKLRSA-N 1 2 367.493 2.870 20 30 FFEDLO CC(C)[C@H]1C[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000929361967 1019387092 /nfs/dbraw/zinc/38/70/92/1019387092.db2.gz AFGQTBCBXDIEEU-WOJBJXKFSA-N 1 2 355.482 2.654 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1N(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001069289361 1019411213 /nfs/dbraw/zinc/41/12/13/1019411213.db2.gz YTRNELIIFLTZNI-OEMYIYORSA-N 1 2 370.497 2.611 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2[nH+]c(C)nc(-n3cccn3)c2C)C1 ZINC001043432172 1019438338 /nfs/dbraw/zinc/43/83/38/1019438338.db2.gz UEZAOPPUYMDFNM-CZUORRHYSA-N 1 2 368.485 2.750 20 30 FFEDLO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000929542686 1019497462 /nfs/dbraw/zinc/49/74/62/1019497462.db2.gz FXVCPGHPSPNDKO-LJQANCHMSA-N 1 2 363.396 2.725 20 30 FFEDLO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000929542685 1019498123 /nfs/dbraw/zinc/49/81/23/1019498123.db2.gz FXVCPGHPSPNDKO-IBGZPJMESA-N 1 2 363.396 2.725 20 30 FFEDLO C#CC[N@@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)Cc1ccccc1 ZINC000796639175 1019614835 /nfs/dbraw/zinc/61/48/35/1019614835.db2.gz IHMZZMDCXRAVJO-OAQYLSRUSA-N 1 2 366.436 2.861 20 30 FFEDLO C#CC[N@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)Cc1ccccc1 ZINC000796639175 1019614849 /nfs/dbraw/zinc/61/48/49/1019614849.db2.gz IHMZZMDCXRAVJO-OAQYLSRUSA-N 1 2 366.436 2.861 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(CNc2cc[nH+]c(C)n2)cc1F ZINC001069837563 1019634082 /nfs/dbraw/zinc/63/40/82/1019634082.db2.gz XCAOYOFDVUDJPE-AEFFLSMTSA-N 1 2 370.428 2.744 20 30 FFEDLO CCc1nocc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095976676 1019671358 /nfs/dbraw/zinc/67/13/58/1019671358.db2.gz PCMHNABAFWVIQV-CCKFTAQKSA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1nocc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095976676 1019671365 /nfs/dbraw/zinc/67/13/65/1019671365.db2.gz PCMHNABAFWVIQV-CCKFTAQKSA-N 1 2 368.412 2.783 20 30 FFEDLO C=CCCC(=O)NCc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001070301770 1019915058 /nfs/dbraw/zinc/91/50/58/1019915058.db2.gz MRCYFBXLGGADPP-QZTJIDSGSA-N 1 2 364.449 2.638 20 30 FFEDLO C=CCCC(=O)NCc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001070301770 1019915069 /nfs/dbraw/zinc/91/50/69/1019915069.db2.gz MRCYFBXLGGADPP-QZTJIDSGSA-N 1 2 364.449 2.638 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)cn1 ZINC001045745291 1020110944 /nfs/dbraw/zinc/11/09/44/1020110944.db2.gz FOARUBLSXFVBHJ-BRWVUGGUSA-N 1 2 364.453 2.636 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c(C#N)c1 ZINC001137702599 1032884373 /nfs/dbraw/zinc/88/43/73/1032884373.db2.gz SDUBGTBGIPRODP-MSOLQXFVSA-N 1 2 368.462 2.512 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c(C#N)c1 ZINC001137702599 1032884393 /nfs/dbraw/zinc/88/43/93/1032884393.db2.gz SDUBGTBGIPRODP-MSOLQXFVSA-N 1 2 368.462 2.512 20 30 FFEDLO NC(=NOCCCOc1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000725792313 1020260155 /nfs/dbraw/zinc/26/01/55/1020260155.db2.gz HWMCRPGROPQVPH-UHFFFAOYSA-N 1 2 369.465 2.625 20 30 FFEDLO C#CC1(O)CC[NH+]([C@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000931147208 1020347033 /nfs/dbraw/zinc/34/70/33/1020347033.db2.gz WRVGRQYGXWHYSB-CYBMUJFWSA-N 1 2 373.453 2.736 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc(C#CCO)c3)n2)C1 ZINC000900327344 1020357717 /nfs/dbraw/zinc/35/77/17/1020357717.db2.gz QDGAZULFDVDRMW-OAHLLOKOSA-N 1 2 369.490 2.971 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc(C#CCO)c3)n2)C1 ZINC000900327344 1020357727 /nfs/dbraw/zinc/35/77/27/1020357727.db2.gz QDGAZULFDVDRMW-OAHLLOKOSA-N 1 2 369.490 2.971 20 30 FFEDLO C=CC1(CC(=O)N2CCC(n3cc[nH+]c3)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000931236979 1020384100 /nfs/dbraw/zinc/38/41/00/1020384100.db2.gz JETLMBKQIDHIBP-UHFFFAOYSA-N 1 2 374.485 2.860 20 30 FFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCc3nc[nH]c3[C@@H]2c2ccc(F)cc2)CCC1 ZINC000931388750 1020449085 /nfs/dbraw/zinc/44/90/85/1020449085.db2.gz VEYKJZPXCQRGCL-LPHOPBHVSA-N 1 2 354.429 2.941 20 30 FFEDLO N#CC1(C[C@H](O)C[N@H+]2CCc3nc[nH]c3[C@@H]2c2ccc(F)cc2)CCC1 ZINC000931388750 1020449093 /nfs/dbraw/zinc/44/90/93/1020449093.db2.gz VEYKJZPXCQRGCL-LPHOPBHVSA-N 1 2 354.429 2.941 20 30 FFEDLO Cc1conc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001098168537 1020704697 /nfs/dbraw/zinc/70/46/97/1020704697.db2.gz LIOOYPOOIQISCI-KURKYZTESA-N 1 2 353.397 2.509 20 30 FFEDLO Cc1conc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001098168537 1020704701 /nfs/dbraw/zinc/70/47/01/1020704701.db2.gz LIOOYPOOIQISCI-KURKYZTESA-N 1 2 353.397 2.509 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)cn1 ZINC001098245578 1020759638 /nfs/dbraw/zinc/75/96/38/1020759638.db2.gz RLLVPWZHBJRTPH-NRSPTQNISA-N 1 2 374.419 2.609 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)cn1 ZINC001098245578 1020759647 /nfs/dbraw/zinc/75/96/47/1020759647.db2.gz RLLVPWZHBJRTPH-NRSPTQNISA-N 1 2 374.419 2.609 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(F)ccc2F)cn1 ZINC001098245610 1020759679 /nfs/dbraw/zinc/75/96/79/1020759679.db2.gz STZPQNVFIYDXCQ-RLLQIKCJSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(F)ccc2F)cn1 ZINC001098245610 1020759687 /nfs/dbraw/zinc/75/96/87/1020759687.db2.gz STZPQNVFIYDXCQ-RLLQIKCJSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)nc1 ZINC001098246594 1020760201 /nfs/dbraw/zinc/76/02/01/1020760201.db2.gz JQCAUCSGSANQSM-UIFIKXQLSA-N 1 2 374.419 2.609 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)nc1 ZINC001098246594 1020760210 /nfs/dbraw/zinc/76/02/10/1020760210.db2.gz JQCAUCSGSANQSM-UIFIKXQLSA-N 1 2 374.419 2.609 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001098372671 1020855827 /nfs/dbraw/zinc/85/58/27/1020855827.db2.gz YEBFQNKZQXOANO-QRVBRYPASA-N 1 2 363.461 2.932 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001098372671 1020855833 /nfs/dbraw/zinc/85/58/33/1020855833.db2.gz YEBFQNKZQXOANO-QRVBRYPASA-N 1 2 363.461 2.932 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3c(C)onc3CC)C[C@@H]21 ZINC001217998341 1032942630 /nfs/dbraw/zinc/94/26/30/1032942630.db2.gz XHDKODPCUBRXRY-ZWKOTPCHSA-N 1 2 361.486 2.559 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3c(C)onc3CC)C[C@@H]21 ZINC001217998341 1032942639 /nfs/dbraw/zinc/94/26/39/1032942639.db2.gz XHDKODPCUBRXRY-ZWKOTPCHSA-N 1 2 361.486 2.559 20 30 FFEDLO CC(C)(C)OC(=O)N1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C#N)C1 ZINC000749648686 1021017212 /nfs/dbraw/zinc/01/72/12/1021017212.db2.gz FDUHLWVGUFVENL-SFHVURJKSA-N 1 2 367.453 2.817 20 30 FFEDLO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c1 ZINC000933623572 1021051126 /nfs/dbraw/zinc/05/11/26/1021051126.db2.gz CSQAKKVBWVCFBD-FPOVZHCZSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1cccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c1 ZINC000933623572 1021051131 /nfs/dbraw/zinc/05/11/31/1021051131.db2.gz CSQAKKVBWVCFBD-FPOVZHCZSA-N 1 2 352.434 2.680 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000933631419 1021055807 /nfs/dbraw/zinc/05/58/07/1021055807.db2.gz ZMKJWICLNJAVTC-MOPGFXCFSA-N 1 2 353.378 2.573 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000933631419 1021055814 /nfs/dbraw/zinc/05/58/14/1021055814.db2.gz ZMKJWICLNJAVTC-MOPGFXCFSA-N 1 2 353.378 2.573 20 30 FFEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)C2(C#N)CCCCC2)nc1 ZINC000934346691 1021206968 /nfs/dbraw/zinc/20/69/68/1021206968.db2.gz LOJODHASGMOWLJ-GOSISDBHSA-N 1 2 356.470 2.912 20 30 FFEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(C)C2(C#N)CCCCC2)nc1 ZINC000934346691 1021206976 /nfs/dbraw/zinc/20/69/76/1021206976.db2.gz LOJODHASGMOWLJ-GOSISDBHSA-N 1 2 356.470 2.912 20 30 FFEDLO C=CC[C@@H]1CC[N@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000934470748 1021251625 /nfs/dbraw/zinc/25/16/25/1021251625.db2.gz QMYIOXUNMBGABQ-IUODEOHRSA-N 1 2 367.371 2.943 20 30 FFEDLO C=CC[C@@H]1CC[N@@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000934470748 1021251633 /nfs/dbraw/zinc/25/16/33/1021251633.db2.gz QMYIOXUNMBGABQ-IUODEOHRSA-N 1 2 367.371 2.943 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCOC[C@H]1CC1CCOCC1)c1ccccc1 ZINC000934632059 1021307988 /nfs/dbraw/zinc/30/79/88/1021307988.db2.gz BQIDCHGPPLVACU-FGZHOGPDSA-N 1 2 370.493 2.945 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCOC[C@H]1CC1CCOCC1)c1ccccc1 ZINC000934632059 1021308004 /nfs/dbraw/zinc/30/80/04/1021308004.db2.gz BQIDCHGPPLVACU-FGZHOGPDSA-N 1 2 370.493 2.945 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2ncnn2CCC)C3)CC1 ZINC001099012226 1021591166 /nfs/dbraw/zinc/59/11/66/1021591166.db2.gz SXIDUVRTKAOVLB-RXVVDRJESA-N 1 2 371.529 2.905 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2ncnn2CCC)C3)CC1 ZINC001099012226 1021591178 /nfs/dbraw/zinc/59/11/78/1021591178.db2.gz SXIDUVRTKAOVLB-RXVVDRJESA-N 1 2 371.529 2.905 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(O)(C(F)F)CC2)cc1C ZINC000778309255 1021601887 /nfs/dbraw/zinc/60/18/87/1021601887.db2.gz RYTATWGDESKDIC-UHFFFAOYSA-N 1 2 365.424 2.642 20 30 FFEDLO CN(C)S(=O)(=O)c1ccc(N[NH+]=Cc2ccc(N)cc2Cl)cc1 ZINC001117717756 1021836208 /nfs/dbraw/zinc/83/62/08/1021836208.db2.gz WJYHCRFEAIUVFT-UHFFFAOYSA-N 1 2 352.847 2.619 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ccsc2Br)C1=O ZINC001276773320 1033019277 /nfs/dbraw/zinc/01/92/77/1033019277.db2.gz CTNADFKRSLOTIO-HNNXBMFYSA-N 1 2 353.285 2.711 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccsc2Br)C1=O ZINC001276773320 1033019290 /nfs/dbraw/zinc/01/92/90/1033019290.db2.gz CTNADFKRSLOTIO-HNNXBMFYSA-N 1 2 353.285 2.711 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3nccs3)C2)C1 ZINC001099303927 1022262860 /nfs/dbraw/zinc/26/28/60/1022262860.db2.gz ZWIQBWLZIWLIHF-VXGBXAGGSA-N 1 2 359.417 2.978 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1C#N ZINC001038277931 1022650504 /nfs/dbraw/zinc/65/05/04/1022650504.db2.gz ZXSVLMKSYSQGPD-DJABAAGCSA-N 1 2 365.477 2.860 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1C#N ZINC001038277931 1022650509 /nfs/dbraw/zinc/65/05/09/1022650509.db2.gz ZXSVLMKSYSQGPD-DJABAAGCSA-N 1 2 365.477 2.860 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001038731772 1022694913 /nfs/dbraw/zinc/69/49/13/1022694913.db2.gz LINQRMZCIAURMV-RCCFBDPRSA-N 1 2 365.433 2.654 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001038731772 1022694918 /nfs/dbraw/zinc/69/49/18/1022694918.db2.gz LINQRMZCIAURMV-RCCFBDPRSA-N 1 2 365.433 2.654 20 30 FFEDLO N#Cc1c(F)cccc1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000751042222 1022749806 /nfs/dbraw/zinc/74/98/06/1022749806.db2.gz CWBCEQHFNZENHJ-UHFFFAOYSA-N 1 2 374.372 2.501 20 30 FFEDLO N#Cc1cncc(C[N@H+](CCO)Cc2ccc(Br)s2)c1 ZINC001119849892 1023130520 /nfs/dbraw/zinc/13/05/20/1023130520.db2.gz LRCKWMIRJLCFAF-UHFFFAOYSA-N 1 2 352.257 2.772 20 30 FFEDLO N#Cc1cncc(C[N@@H+](CCO)Cc2ccc(Br)s2)c1 ZINC001119849892 1023130522 /nfs/dbraw/zinc/13/05/22/1023130522.db2.gz LRCKWMIRJLCFAF-UHFFFAOYSA-N 1 2 352.257 2.772 20 30 FFEDLO C=CCc1cc(C[N@@H+]2CCO[C@H](c3noc(C4CC4)n3)C2)c(O)c(OC)c1 ZINC000754729736 1023510415 /nfs/dbraw/zinc/51/04/15/1023510415.db2.gz FQEZCIDMSMOYDI-KRWDZBQOSA-N 1 2 371.437 2.963 20 30 FFEDLO C=CCc1cc(C[N@H+]2CCO[C@H](c3noc(C4CC4)n3)C2)c(O)c(OC)c1 ZINC000754729736 1023510423 /nfs/dbraw/zinc/51/04/23/1023510423.db2.gz FQEZCIDMSMOYDI-KRWDZBQOSA-N 1 2 371.437 2.963 20 30 FFEDLO C=C(C)c1cccc(NC(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC001120900117 1023516902 /nfs/dbraw/zinc/51/69/02/1023516902.db2.gz ZYRKPTIJHJNQBF-UHFFFAOYSA-N 1 2 353.422 2.995 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc([C@H]3CCC[N@H+]3C)n2C[C@H]2CCOC2)C1 ZINC001123113988 1023641659 /nfs/dbraw/zinc/64/16/59/1023641659.db2.gz RCBBSTBIMPBEGV-KZNAEPCWSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc([C@H]3CCC[N@@H+]3C)n2C[C@H]2CCOC2)C1 ZINC001123113988 1023641665 /nfs/dbraw/zinc/64/16/65/1023641665.db2.gz RCBBSTBIMPBEGV-KZNAEPCWSA-N 1 2 359.518 2.874 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c1C#N ZINC000756589829 1023733065 /nfs/dbraw/zinc/73/30/65/1023733065.db2.gz VVZNEMYOEZXNBO-CYBMUJFWSA-N 1 2 361.442 2.690 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c1C#N ZINC000756589829 1023733070 /nfs/dbraw/zinc/73/30/70/1023733070.db2.gz VVZNEMYOEZXNBO-CYBMUJFWSA-N 1 2 361.442 2.690 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc([C@@H](C)OC)no3)[C@H]2C1 ZINC001222781743 1033159041 /nfs/dbraw/zinc/15/90/41/1033159041.db2.gz RWQQRLXWPHINHV-OAGGEKHMSA-N 1 2 362.474 2.556 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc([C@@H](C)OC)no3)[C@H]2C1 ZINC001222781743 1033159049 /nfs/dbraw/zinc/15/90/49/1033159049.db2.gz RWQQRLXWPHINHV-OAGGEKHMSA-N 1 2 362.474 2.556 20 30 FFEDLO COCCN(c1nnc(C2CC[NH+](CCC#N)CC2)n1C)[C@@H]1CC[C@@H](C)C1 ZINC001121416013 1023761895 /nfs/dbraw/zinc/76/18/95/1023761895.db2.gz YBSORCCGOQJZLJ-SJLPKXTDSA-N 1 2 374.533 2.550 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)c1sccc1F ZINC001123370170 1023765059 /nfs/dbraw/zinc/76/50/59/1023765059.db2.gz RPKZWOZQUVALCY-UHFFFAOYSA-N 1 2 365.451 2.989 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1cc(F)ccc1F)C2 ZINC001111310446 1023773210 /nfs/dbraw/zinc/77/32/10/1023773210.db2.gz CTQHFINCDQJFIL-YUELXQCFSA-N 1 2 356.800 2.818 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1cc(F)ccc1F)C2 ZINC001111310446 1023773215 /nfs/dbraw/zinc/77/32/15/1023773215.db2.gz CTQHFINCDQJFIL-YUELXQCFSA-N 1 2 356.800 2.818 20 30 FFEDLO C=CCn1c([C@@H](CC)[C@H](C)O)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001121489635 1023805893 /nfs/dbraw/zinc/80/58/93/1023805893.db2.gz NYVUCMSLTZQSNO-RDJZCZTQSA-N 1 2 370.501 2.814 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001121492554 1023808239 /nfs/dbraw/zinc/80/82/39/1023808239.db2.gz KSKZKLFVHWVVGB-KURKYZTESA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001121492554 1023808243 /nfs/dbraw/zinc/80/82/43/1023808243.db2.gz KSKZKLFVHWVVGB-KURKYZTESA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(CCC#N)CC1CC1 ZINC001121492405 1023808560 /nfs/dbraw/zinc/80/85/60/1023808560.db2.gz GDNBBHWHHACUCZ-ROUUACIJSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(CCC#N)CC1CC1 ZINC001121492405 1023808568 /nfs/dbraw/zinc/80/85/68/1023808568.db2.gz GDNBBHWHHACUCZ-ROUUACIJSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC(c2ccccc2)CC1 ZINC001121510557 1023818388 /nfs/dbraw/zinc/81/83/88/1023818388.db2.gz QIGDYWLXUBFNCR-RTBURBONSA-N 1 2 367.497 2.586 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC(c2ccccc2)CC1 ZINC001121510557 1023818392 /nfs/dbraw/zinc/81/83/92/1023818392.db2.gz QIGDYWLXUBFNCR-RTBURBONSA-N 1 2 367.497 2.586 20 30 FFEDLO C#CCCCCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218455452 1033164920 /nfs/dbraw/zinc/16/49/20/1033164920.db2.gz OTTOGXIRBSAXQX-RBUKOAKNSA-N 1 2 371.506 2.615 20 30 FFEDLO C#CCCCCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218455452 1033164927 /nfs/dbraw/zinc/16/49/27/1033164927.db2.gz OTTOGXIRBSAXQX-RBUKOAKNSA-N 1 2 371.506 2.615 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001121613043 1023881590 /nfs/dbraw/zinc/88/15/90/1023881590.db2.gz SLXKWSXKHSXVOZ-ZWKOTPCHSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001121613043 1023881600 /nfs/dbraw/zinc/88/16/00/1023881600.db2.gz SLXKWSXKHSXVOZ-ZWKOTPCHSA-N 1 2 359.518 2.874 20 30 FFEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(Cn2cccc(C#N)c2=O)CC1 ZINC000758221384 1023976907 /nfs/dbraw/zinc/97/69/07/1023976907.db2.gz BYCXKTUMUSLOMO-IBGZPJMESA-N 1 2 372.419 2.725 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cc(C2CC2)on1 ZINC001095830030 1024154589 /nfs/dbraw/zinc/15/45/89/1024154589.db2.gz OIULJDWYWRQVFD-HBFSDRIKSA-N 1 2 361.445 2.939 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cc(C2CC2)on1 ZINC001095830030 1024154596 /nfs/dbraw/zinc/15/45/96/1024154596.db2.gz OIULJDWYWRQVFD-HBFSDRIKSA-N 1 2 361.445 2.939 20 30 FFEDLO C=C[C@H](C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001123964906 1024184292 /nfs/dbraw/zinc/18/42/92/1024184292.db2.gz XRYLRULZFGJQIX-SFHVURJKSA-N 1 2 358.482 2.879 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C(C)C)o4)C[C@@]3(C)C2)CCC1 ZINC001101265853 1024258983 /nfs/dbraw/zinc/25/89/83/1024258983.db2.gz SRQZRMXAGYBUDA-UZLBHIALSA-N 1 2 370.497 2.667 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C(C)C)o4)C[C@@]3(C)C2)CCC1 ZINC001101265853 1024258992 /nfs/dbraw/zinc/25/89/92/1024258992.db2.gz SRQZRMXAGYBUDA-UZLBHIALSA-N 1 2 370.497 2.667 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@@H+]([C@H](C)c4nnc(CC)[nH]4)C[C@@]3(C)C2)CC1 ZINC001101355030 1024532592 /nfs/dbraw/zinc/53/25/92/1024532592.db2.gz KTZOCUAVETVGHF-QINHECLXSA-N 1 2 371.529 2.955 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@H+]([C@H](C)c4nnc(CC)[nH]4)C[C@@]3(C)C2)CC1 ZINC001101355030 1024532603 /nfs/dbraw/zinc/53/26/03/1024532603.db2.gz KTZOCUAVETVGHF-QINHECLXSA-N 1 2 371.529 2.955 20 30 FFEDLO Cc1ccc(N2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)cc1C ZINC000759347054 1024572153 /nfs/dbraw/zinc/57/21/53/1024572153.db2.gz PVBCIWRRKYDFIA-UHFFFAOYSA-N 1 2 362.477 2.614 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nc(C(C)C)[nH]c1=O)C2 ZINC001095852925 1025084172 /nfs/dbraw/zinc/08/41/72/1025084172.db2.gz LFXUOPLRUZYEMF-RDBSUJKOSA-N 1 2 364.877 2.702 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nc(C(C)C)[nH]c1=O)C2 ZINC001095852925 1025084186 /nfs/dbraw/zinc/08/41/86/1025084186.db2.gz LFXUOPLRUZYEMF-RDBSUJKOSA-N 1 2 364.877 2.702 20 30 FFEDLO CC(C)c1nsc(C[N@H+]2C[C@@H](CNC(=O)C#CC(C)(C)C)[C@H](C)C2)n1 ZINC001101955215 1025212256 /nfs/dbraw/zinc/21/22/56/1025212256.db2.gz YCKJCZKCDDGLGF-HUUCEWRRSA-N 1 2 362.543 2.895 20 30 FFEDLO CC(C)c1nsc(C[N@@H+]2C[C@@H](CNC(=O)C#CC(C)(C)C)[C@H](C)C2)n1 ZINC001101955215 1025212258 /nfs/dbraw/zinc/21/22/58/1025212258.db2.gz YCKJCZKCDDGLGF-HUUCEWRRSA-N 1 2 362.543 2.895 20 30 FFEDLO N#CCOc1cccc(CC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000089768521 1025766088 /nfs/dbraw/zinc/76/60/88/1025766088.db2.gz FYXXWTHZUFJUQX-UHFFFAOYSA-N 1 2 365.433 2.602 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@@H+](Cc3ncc(Cl)n3C)C[C@H]2C)C1 ZINC001102348209 1025785271 /nfs/dbraw/zinc/78/52/71/1025785271.db2.gz VIPKHEGKQHTSRE-ZIAGYGMSSA-N 1 2 350.894 2.614 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@H+](Cc3ncc(Cl)n3C)C[C@H]2C)C1 ZINC001102348209 1025785288 /nfs/dbraw/zinc/78/52/88/1025785288.db2.gz VIPKHEGKQHTSRE-ZIAGYGMSSA-N 1 2 350.894 2.614 20 30 FFEDLO C=C1CCC(C(=O)N(C)C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC000954460745 1026019068 /nfs/dbraw/zinc/01/90/68/1026019068.db2.gz SURQRBLGUOALEJ-QZTJIDSGSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C1CCC(C(=O)N(C)C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC000954460745 1026019078 /nfs/dbraw/zinc/01/90/78/1026019078.db2.gz SURQRBLGUOALEJ-QZTJIDSGSA-N 1 2 370.497 2.709 20 30 FFEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC001202782472 1026184955 /nfs/dbraw/zinc/18/49/55/1026184955.db2.gz BRBBSOBQMBSRCG-UHFFFAOYSA-N 1 2 364.453 2.532 20 30 FFEDLO Cc1nc([C@@H](C)[N@H+]2C[C@@H](CNC(=O)CC#Cc3ccccc3)[C@H](C)C2)no1 ZINC001102592914 1026377250 /nfs/dbraw/zinc/37/72/50/1026377250.db2.gz XJCCIXSTGVRVET-GPMSIDNRSA-N 1 2 366.465 2.565 20 30 FFEDLO Cc1nc([C@@H](C)[N@@H+]2C[C@@H](CNC(=O)CC#Cc3ccccc3)[C@H](C)C2)no1 ZINC001102592914 1026377261 /nfs/dbraw/zinc/37/72/61/1026377261.db2.gz XJCCIXSTGVRVET-GPMSIDNRSA-N 1 2 366.465 2.565 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000839627868 1026766218 /nfs/dbraw/zinc/76/62/18/1026766218.db2.gz HJGPDDWRVLLBNW-KRWDZBQOSA-N 1 2 366.465 2.698 20 30 FFEDLO CSc1nc(C[N@@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)ccc1C#N ZINC001141932367 1027173974 /nfs/dbraw/zinc/17/39/74/1027173974.db2.gz ZPYLOFWPLVYYEF-GXTWGEPZSA-N 1 2 363.380 2.902 20 30 FFEDLO CSc1nc(C[N@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)ccc1C#N ZINC001141932367 1027173981 /nfs/dbraw/zinc/17/39/81/1027173981.db2.gz ZPYLOFWPLVYYEF-GXTWGEPZSA-N 1 2 363.380 2.902 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1ccc(Cl)c(C#N)n1)C[NH2+]C2(C)C ZINC001159655356 1027457213 /nfs/dbraw/zinc/45/72/13/1027457213.db2.gz ZUIRWPZHGMQXNV-UHFFFAOYSA-N 1 2 360.805 2.890 20 30 FFEDLO Cc1ccc(C#N)c(NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCCC2)n1 ZINC001103470292 1027554153 /nfs/dbraw/zinc/55/41/53/1027554153.db2.gz NPWAXJBDJMPXIT-HZPDHXFCSA-N 1 2 364.453 2.629 20 30 FFEDLO Cc1ccc(C#N)c(NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCCC2)n1 ZINC001103470292 1027554168 /nfs/dbraw/zinc/55/41/68/1027554168.db2.gz NPWAXJBDJMPXIT-HZPDHXFCSA-N 1 2 364.453 2.629 20 30 FFEDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(O)Cc1ccc(F)cc1 ZINC001161842309 1028329249 /nfs/dbraw/zinc/32/92/49/1028329249.db2.gz AISJJPGGAJOJPT-UHFFFAOYSA-N 1 2 356.313 2.951 20 30 FFEDLO C#CCCCNc1[nH+]cnc2c1ccn2S(=O)(=O)c1ccc(C)cc1 ZINC001155010761 1028545671 /nfs/dbraw/zinc/54/56/71/1028545671.db2.gz SBQMGLMZCYLRTK-UHFFFAOYSA-N 1 2 354.435 2.802 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(C)sc1C ZINC001155326226 1028676761 /nfs/dbraw/zinc/67/67/61/1028676761.db2.gz UZWJCHGZSQPKTE-VMGRFDJRSA-N 1 2 351.516 2.678 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(C)sc1C ZINC001155326226 1028676771 /nfs/dbraw/zinc/67/67/71/1028676771.db2.gz UZWJCHGZSQPKTE-VMGRFDJRSA-N 1 2 351.516 2.678 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)OCC)C1 ZINC001111636010 1028996982 /nfs/dbraw/zinc/99/69/82/1028996982.db2.gz ZPTIGVXFIJEYLO-LZWOXQAQSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)OCC)C1 ZINC001111636010 1028996998 /nfs/dbraw/zinc/99/69/98/1028996998.db2.gz ZPTIGVXFIJEYLO-LZWOXQAQSA-N 1 2 359.308 2.681 20 30 FFEDLO CC[C@H](OC)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001111644216 1029028567 /nfs/dbraw/zinc/02/85/67/1029028567.db2.gz OALNIUVYABNPJU-QRFRQXIXSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@H](OC)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001111644216 1029028581 /nfs/dbraw/zinc/02/85/81/1029028581.db2.gz OALNIUVYABNPJU-QRFRQXIXSA-N 1 2 359.445 2.593 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnc(Cl)s1)C2 ZINC001111728911 1029250370 /nfs/dbraw/zinc/25/03/70/1029250370.db2.gz SHFCNAJPRACMKD-VUCTXSBTSA-N 1 2 369.918 2.594 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnc(Cl)s1)C2 ZINC001111728911 1029250386 /nfs/dbraw/zinc/25/03/86/1029250386.db2.gz SHFCNAJPRACMKD-VUCTXSBTSA-N 1 2 369.918 2.594 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C(F)C(F)(F)F)C2)cc1 ZINC001111756139 1029351505 /nfs/dbraw/zinc/35/15/05/1029351505.db2.gz FCKVMUCSFUBYQV-ZOBUZTSGSA-N 1 2 369.362 2.929 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C(F)C(F)(F)F)C2)cc1 ZINC001111756139 1029351516 /nfs/dbraw/zinc/35/15/16/1029351516.db2.gz FCKVMUCSFUBYQV-ZOBUZTSGSA-N 1 2 369.362 2.929 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1nnc(C)[nH]1)C2 ZINC001111760087 1029366705 /nfs/dbraw/zinc/36/67/05/1029366705.db2.gz YOKUTWCLERFZKR-VHFSOBRXSA-N 1 2 357.502 2.913 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1nnc(C)[nH]1)C2 ZINC001111760087 1029366722 /nfs/dbraw/zinc/36/67/22/1029366722.db2.gz YOKUTWCLERFZKR-VHFSOBRXSA-N 1 2 357.502 2.913 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ncc(Cl)cc3C#N)CC2)cc1 ZINC001165084544 1029374196 /nfs/dbraw/zinc/37/41/96/1029374196.db2.gz IJZPOEOZQMXCDB-UHFFFAOYSA-N 1 2 370.840 2.715 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CCC)OC)C1 ZINC001111829545 1029576318 /nfs/dbraw/zinc/57/63/18/1029576318.db2.gz MDLBMPDQNVXAIT-DZKIICNBSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CCC)OC)C1 ZINC001111829545 1029576321 /nfs/dbraw/zinc/57/63/21/1029576321.db2.gz MDLBMPDQNVXAIT-DZKIICNBSA-N 1 2 359.308 2.681 20 30 FFEDLO COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1cc(C)c(C#N)cn1 ZINC001157505111 1029601018 /nfs/dbraw/zinc/60/10/18/1029601018.db2.gz UGBXTVJBCCZHLV-IBGZPJMESA-N 1 2 364.449 2.516 20 30 FFEDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1cc(C)c(C#N)cn1 ZINC001157505111 1029601024 /nfs/dbraw/zinc/60/10/24/1029601024.db2.gz UGBXTVJBCCZHLV-IBGZPJMESA-N 1 2 364.449 2.516 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(C(C)C)nn1)C2 ZINC001111851541 1029617630 /nfs/dbraw/zinc/61/76/30/1029617630.db2.gz DFTDEKCPKRMKJE-ZWOKBUDYSA-N 1 2 359.518 2.932 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(C(C)C)nn1)C2 ZINC001111851541 1029617636 /nfs/dbraw/zinc/61/76/36/1029617636.db2.gz DFTDEKCPKRMKJE-ZWOKBUDYSA-N 1 2 359.518 2.932 20 30 FFEDLO C=C[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnns1)C2)c1ccccc1 ZINC001111996033 1029845582 /nfs/dbraw/zinc/84/55/82/1029845582.db2.gz HBZVUEWZNCICKM-HQRMLTQVSA-N 1 2 368.506 2.979 20 30 FFEDLO C=C[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnns1)C2)c1ccccc1 ZINC001111996033 1029845586 /nfs/dbraw/zinc/84/55/86/1029845586.db2.gz HBZVUEWZNCICKM-HQRMLTQVSA-N 1 2 368.506 2.979 20 30 FFEDLO C=CCCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1coc(C3CC3)n1)C2 ZINC001112017357 1029865857 /nfs/dbraw/zinc/86/58/57/1029865857.db2.gz CIAOPZPEWBRHKG-JXFKEZNVSA-N 1 2 359.470 2.615 20 30 FFEDLO C=CCCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC001112017357 1029865864 /nfs/dbraw/zinc/86/58/64/1029865864.db2.gz CIAOPZPEWBRHKG-JXFKEZNVSA-N 1 2 359.470 2.615 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cc(OC)no2)C1 ZINC001112110181 1030028375 /nfs/dbraw/zinc/02/83/75/1030028375.db2.gz BXWMHBCVYHHYTN-CHWSQXEVSA-N 1 2 361.364 2.518 20 30 FFEDLO N#CCc1cc[nH+]c(N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c1 ZINC001165616299 1030057895 /nfs/dbraw/zinc/05/78/95/1030057895.db2.gz RSLTYGSPAHRISS-UHFFFAOYSA-N 1 2 362.433 2.550 20 30 FFEDLO N#Cc1ccc2ncnc(N3Cc4c[nH+]cn4C[C@H](COCC4CC4)C3)c2c1 ZINC001165693461 1030088405 /nfs/dbraw/zinc/08/84/05/1030088405.db2.gz XILUMJWGJBSGSJ-QGZVFWFLSA-N 1 2 374.448 2.761 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001112172384 1030143598 /nfs/dbraw/zinc/14/35/98/1030143598.db2.gz AYZKJLQBDARQQG-ZIAGYGMSSA-N 1 2 358.408 2.501 20 30 FFEDLO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3[nH+]ccc4[nH]cc(C#N)c43)O2)n1 ZINC001165890789 1030158459 /nfs/dbraw/zinc/15/84/59/1030158459.db2.gz JPBUKWNBMIWKPV-KFWWJZLASA-N 1 2 350.382 2.625 20 30 FFEDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000784165161 1030490047 /nfs/dbraw/zinc/49/00/47/1030490047.db2.gz KTPSMPDXCQTELL-MAUKXSAKSA-N 1 2 359.470 2.867 20 30 FFEDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000784165161 1030490056 /nfs/dbraw/zinc/49/00/56/1030490056.db2.gz KTPSMPDXCQTELL-MAUKXSAKSA-N 1 2 359.470 2.867 20 30 FFEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(F)c(Cl)c1F)CC2 ZINC001276416067 1030830289 /nfs/dbraw/zinc/83/02/89/1030830289.db2.gz QFEDJPMXBFBOHQ-CYBMUJFWSA-N 1 2 352.812 2.970 20 30 FFEDLO CC#CCCCCOC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000796849588 1030934511 /nfs/dbraw/zinc/93/45/11/1030934511.db2.gz HUYJIJNVCXIOPA-VQIMIIECSA-N 1 2 359.470 2.847 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(OC(C)=O)cc1 ZINC001203950605 1031004776 /nfs/dbraw/zinc/00/47/76/1031004776.db2.gz DEOUIXQCNSYINN-IBGZPJMESA-N 1 2 355.438 2.647 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(OC(C)=O)cc1 ZINC001203950605 1031004796 /nfs/dbraw/zinc/00/47/96/1031004796.db2.gz DEOUIXQCNSYINN-IBGZPJMESA-N 1 2 355.438 2.647 20 30 FFEDLO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cnc3ccc(Cl)nn13)C2 ZINC001142987822 1031124121 /nfs/dbraw/zinc/12/41/21/1031124121.db2.gz KYFCJUWVPZYYTI-LJQANCHMSA-N 1 2 373.888 2.916 20 30 FFEDLO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1cnc3ccc(Cl)nn13)C2 ZINC001142987822 1031124128 /nfs/dbraw/zinc/12/41/28/1031124128.db2.gz KYFCJUWVPZYYTI-LJQANCHMSA-N 1 2 373.888 2.916 20 30 FFEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cnc3ccc(Cl)nn13)C2 ZINC001142991508 1031128806 /nfs/dbraw/zinc/12/88/06/1031128806.db2.gz JKBPHZSGSZIZOM-MAUKXSAKSA-N 1 2 362.861 2.709 20 30 FFEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cnc3ccc(Cl)nn13)C2 ZINC001142991508 1031128808 /nfs/dbraw/zinc/12/88/08/1031128808.db2.gz JKBPHZSGSZIZOM-MAUKXSAKSA-N 1 2 362.861 2.709 20 30 FFEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cn(C(C)=O)c3ccccc23)CC1 ZINC001204411981 1031273439 /nfs/dbraw/zinc/27/34/39/1031273439.db2.gz HLOPPYDMOIAZMH-UHFFFAOYSA-N 1 2 353.422 2.970 20 30 FFEDLO OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@@H+]1Cc1ccc(C(F)(F)F)cc1F ZINC001204463215 1031301374 /nfs/dbraw/zinc/30/13/74/1031301374.db2.gz JSNPHZYLJDCKGV-JQWIXIFHSA-N 1 2 361.257 2.705 20 30 FFEDLO OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@H+]1Cc1ccc(C(F)(F)F)cc1F ZINC001204463215 1031301387 /nfs/dbraw/zinc/30/13/87/1031301387.db2.gz JSNPHZYLJDCKGV-JQWIXIFHSA-N 1 2 361.257 2.705 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3c(F)ccc(N)c3F)C2)CC1 ZINC001204896964 1031464223 /nfs/dbraw/zinc/46/42/23/1031464223.db2.gz SZUZFKOJYAWYGE-UHFFFAOYSA-N 1 2 351.397 2.767 20 30 FFEDLO C=CCCC[C@H](C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC001149724928 1031578120 /nfs/dbraw/zinc/57/81/20/1031578120.db2.gz GVIZVDOQKRVHIA-SFTDATJTSA-N 1 2 372.509 2.686 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799196332 1031690583 /nfs/dbraw/zinc/69/05/83/1031690583.db2.gz QYJKAYAQDZLHLZ-INIZCTEOSA-N 1 2 372.432 2.567 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799196332 1031690587 /nfs/dbraw/zinc/69/05/87/1031690587.db2.gz QYJKAYAQDZLHLZ-INIZCTEOSA-N 1 2 372.432 2.567 20 30 FFEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000799324139 1031738576 /nfs/dbraw/zinc/73/85/76/1031738576.db2.gz KWYFXLRDNWPFBX-RBUKOAKNSA-N 1 2 374.847 2.790 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3OCC)C[C@H]2C)cn1 ZINC000799426244 1031771763 /nfs/dbraw/zinc/77/17/63/1031771763.db2.gz YNGDPFJVBDEUPW-QGZVFWFLSA-N 1 2 363.461 2.808 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3OCC)C[C@H]2C)cn1 ZINC000799426244 1031771780 /nfs/dbraw/zinc/77/17/80/1031771780.db2.gz YNGDPFJVBDEUPW-QGZVFWFLSA-N 1 2 363.461 2.808 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1([NH2+]CC(F)(F)C(F)F)CCCCC1 ZINC001115737782 1031958906 /nfs/dbraw/zinc/95/89/06/1031958906.db2.gz ZHUSXKHYZYYFAZ-OLZOCXBDSA-N 1 2 366.399 2.887 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)C3(COC)CCC3)C[C@@H]21 ZINC001223135965 1033304907 /nfs/dbraw/zinc/30/49/07/1033304907.db2.gz QFZLOMIEZXHWBN-CABCVRRESA-N 1 2 371.319 2.635 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3(COC)CCC3)C[C@@H]21 ZINC001223135965 1033304914 /nfs/dbraw/zinc/30/49/14/1033304914.db2.gz QFZLOMIEZXHWBN-CABCVRRESA-N 1 2 371.319 2.635 20 30 FFEDLO CCC[C@H](CC)C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218851708 1033376602 /nfs/dbraw/zinc/37/66/02/1033376602.db2.gz HNRYEJQHGYSJNJ-JCGIZDLHSA-N 1 2 361.511 2.858 20 30 FFEDLO CCC[C@H](CC)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218851708 1033376609 /nfs/dbraw/zinc/37/66/09/1033376609.db2.gz HNRYEJQHGYSJNJ-JCGIZDLHSA-N 1 2 361.511 2.858 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C4CC4)nn3C)[C@H]2C1 ZINC001223337883 1033401858 /nfs/dbraw/zinc/40/18/58/1033401858.db2.gz BQKHGUHGNDVXSU-NUJGCVRESA-N 1 2 371.529 2.718 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C4CC4)nn3C)[C@H]2C1 ZINC001223337883 1033401864 /nfs/dbraw/zinc/40/18/64/1033401864.db2.gz BQKHGUHGNDVXSU-NUJGCVRESA-N 1 2 371.529 2.718 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001223337953 1033402272 /nfs/dbraw/zinc/40/22/72/1033402272.db2.gz CVYHLSITFBIJMG-UXLLHSPISA-N 1 2 358.486 2.972 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001223337953 1033402279 /nfs/dbraw/zinc/40/22/79/1033402279.db2.gz CVYHLSITFBIJMG-UXLLHSPISA-N 1 2 358.486 2.972 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CC4)n3C)[C@H]2C1 ZINC001223344282 1033403143 /nfs/dbraw/zinc/40/31/43/1033403143.db2.gz IAYJZGXUDJZGOU-JZXOWHBKSA-N 1 2 371.529 2.718 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C)[C@H]2C1 ZINC001223344282 1033403151 /nfs/dbraw/zinc/40/31/51/1033403151.db2.gz IAYJZGXUDJZGOU-JZXOWHBKSA-N 1 2 371.529 2.718 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001223393054 1033423339 /nfs/dbraw/zinc/42/33/39/1033423339.db2.gz JMCWVXLTXDZUOA-AEFFLSMTSA-N 1 2 357.502 2.701 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001223393054 1033423346 /nfs/dbraw/zinc/42/33/46/1033423346.db2.gz JMCWVXLTXDZUOA-AEFFLSMTSA-N 1 2 357.502 2.701 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc(O)c2ccccc12 ZINC001138056096 1033649084 /nfs/dbraw/zinc/64/90/84/1033649084.db2.gz LICGRHHLYXRKRX-IBGZPJMESA-N 1 2 364.449 2.976 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc(O)c2ccccc12 ZINC001138056096 1033649092 /nfs/dbraw/zinc/64/90/92/1033649092.db2.gz LICGRHHLYXRKRX-IBGZPJMESA-N 1 2 364.449 2.976 20 30 FFEDLO N#CCC[N@H+]1CCC[C@@]2(CCN(CCC(=O)c3ccccc3)C2=O)CC1 ZINC001276950050 1033736079 /nfs/dbraw/zinc/73/60/79/1033736079.db2.gz ZZAKGGIXCWKGKS-NRFANRHFSA-N 1 2 353.466 2.878 20 30 FFEDLO N#CCC[N@@H+]1CCC[C@@]2(CCN(CCC(=O)c3ccccc3)C2=O)CC1 ZINC001276950050 1033736084 /nfs/dbraw/zinc/73/60/84/1033736084.db2.gz ZZAKGGIXCWKGKS-NRFANRHFSA-N 1 2 353.466 2.878 20 30 FFEDLO CC[C@H](C)CCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219695360 1033759230 /nfs/dbraw/zinc/75/92/30/1033759230.db2.gz OEEFSFHGFPSUBC-TYPHKJRUSA-N 1 2 356.510 2.806 20 30 FFEDLO CC[C@H](C)CCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219695360 1033759245 /nfs/dbraw/zinc/75/92/45/1033759245.db2.gz OEEFSFHGFPSUBC-TYPHKJRUSA-N 1 2 356.510 2.806 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@H](CC)c2ccc(F)cc2F)C[C@@H]1O ZINC001219720562 1033787897 /nfs/dbraw/zinc/78/78/97/1033787897.db2.gz RTHGHAZLZXBSOX-KURKYZTESA-N 1 2 352.425 2.934 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)c2ccc(F)cc2F)C[C@@H]1O ZINC001219720562 1033787909 /nfs/dbraw/zinc/78/79/09/1033787909.db2.gz RTHGHAZLZXBSOX-KURKYZTESA-N 1 2 352.425 2.934 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)c(OC)c2)C[C@@H]1O ZINC001220201028 1034041389 /nfs/dbraw/zinc/04/13/89/1034041389.db2.gz CZIBPRJHCVQCMD-XYPHTWIQSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(OC)c2)C[C@@H]1O ZINC001220201028 1034041406 /nfs/dbraw/zinc/04/14/06/1034041406.db2.gz CZIBPRJHCVQCMD-XYPHTWIQSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2Cl)C[C@@H]1O ZINC001220201043 1034041713 /nfs/dbraw/zinc/04/17/13/1034041713.db2.gz DKWUSXDITWRGSM-IMJJTQAJSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2Cl)C[C@@H]1O ZINC001220201043 1034041727 /nfs/dbraw/zinc/04/17/27/1034041727.db2.gz DKWUSXDITWRGSM-IMJJTQAJSA-N 1 2 366.889 2.612 20 30 FFEDLO C#Cc1ccccc1CC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC001535554082 1069832358 /nfs/dbraw/zinc/83/23/58/1069832358.db2.gz YIAOHCAFWJMDOW-QFIPXVFZSA-N 1 2 362.473 2.536 20 30 FFEDLO C#Cc1ccccc1CC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC001535554082 1069832376 /nfs/dbraw/zinc/83/23/76/1069832376.db2.gz YIAOHCAFWJMDOW-QFIPXVFZSA-N 1 2 362.473 2.536 20 30 FFEDLO CCCCC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220497948 1034222719 /nfs/dbraw/zinc/22/27/19/1034222719.db2.gz OHXRHNWELZMFRC-NRSPTQNISA-N 1 2 356.510 2.806 20 30 FFEDLO CCCCC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220497948 1034222727 /nfs/dbraw/zinc/22/27/27/1034222727.db2.gz OHXRHNWELZMFRC-NRSPTQNISA-N 1 2 356.510 2.806 20 30 FFEDLO COc1ccnc(O[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1C#N ZINC001225565439 1034309101 /nfs/dbraw/zinc/30/91/01/1034309101.db2.gz ASMYYBJVULFLOM-BEFAXECRSA-N 1 2 353.422 2.630 20 30 FFEDLO COc1ccnc(O[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1C#N ZINC001225565439 1034309114 /nfs/dbraw/zinc/30/91/14/1034309114.db2.gz ASMYYBJVULFLOM-BEFAXECRSA-N 1 2 353.422 2.630 20 30 FFEDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccc(C#N)n2C)CC1 ZINC000831869798 1034362818 /nfs/dbraw/zinc/36/28/18/1034362818.db2.gz YTWBSEODRXHJKP-SFHVURJKSA-N 1 2 354.429 2.945 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@@H]1O ZINC001220841127 1034423925 /nfs/dbraw/zinc/42/39/25/1034423925.db2.gz JPFUEMMCTCDXBF-SJORKVTESA-N 1 2 351.491 2.785 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@@H]1O ZINC001220841127 1034423933 /nfs/dbraw/zinc/42/39/33/1034423933.db2.gz JPFUEMMCTCDXBF-SJORKVTESA-N 1 2 351.491 2.785 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCC[C@]23CCN(Cc2cnoc2)C3=O)ccc1Cl ZINC001277083669 1034453348 /nfs/dbraw/zinc/45/33/48/1034453348.db2.gz NRCKEZDIZWQJCJ-LJQANCHMSA-N 1 2 370.840 2.967 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCC[C@]23CCN(Cc2cnoc2)C3=O)ccc1Cl ZINC001277083669 1034453354 /nfs/dbraw/zinc/45/33/54/1034453354.db2.gz NRCKEZDIZWQJCJ-LJQANCHMSA-N 1 2 370.840 2.967 20 30 FFEDLO C=CCc1cccc(C[N@H+]2CCO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1O ZINC001138624321 1034475547 /nfs/dbraw/zinc/47/55/47/1034475547.db2.gz DGWLUOWIMPAPCO-MSOLQXFVSA-N 1 2 374.481 2.941 20 30 FFEDLO C=CCc1cccc(C[N@@H+]2CCO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1O ZINC001138624321 1034475552 /nfs/dbraw/zinc/47/55/52/1034475552.db2.gz DGWLUOWIMPAPCO-MSOLQXFVSA-N 1 2 374.481 2.941 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@@H]1O)c1ccccc1 ZINC001221048549 1034526649 /nfs/dbraw/zinc/52/66/49/1034526649.db2.gz VTESWQSOBVXVCA-RLLQIKCJSA-N 1 2 370.880 2.971 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@@H]1O)c1ccccc1 ZINC001221048549 1034526657 /nfs/dbraw/zinc/52/66/57/1034526657.db2.gz VTESWQSOBVXVCA-RLLQIKCJSA-N 1 2 370.880 2.971 20 30 FFEDLO CCC[C@H](CC(C)C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001221126760 1034565274 /nfs/dbraw/zinc/56/52/74/1034565274.db2.gz XDOTWUATNWLMRT-NJYVYQBISA-N 1 2 356.510 2.662 20 30 FFEDLO CCC[C@H](CC(C)C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001221126760 1034565287 /nfs/dbraw/zinc/56/52/87/1034565287.db2.gz XDOTWUATNWLMRT-NJYVYQBISA-N 1 2 356.510 2.662 20 30 FFEDLO N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2cnc3cccc(Cl)n23)C1=O ZINC001277111502 1034593980 /nfs/dbraw/zinc/59/39/80/1034593980.db2.gz VWSGYUBYOUMUGB-IBGZPJMESA-N 1 2 371.872 2.858 20 30 FFEDLO N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cnc3cccc(Cl)n23)C1=O ZINC001277111502 1034593985 /nfs/dbraw/zinc/59/39/85/1034593985.db2.gz VWSGYUBYOUMUGB-IBGZPJMESA-N 1 2 371.872 2.858 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccnn1[C@@H]1CCCCO1)CCC2 ZINC001138779359 1034650848 /nfs/dbraw/zinc/65/08/48/1034650848.db2.gz SLADABYHWAQXEW-FQEVSTJZSA-N 1 2 371.485 2.887 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccnn1[C@@H]1CCCCO1)CCC2 ZINC001138779359 1034650855 /nfs/dbraw/zinc/65/08/55/1034650855.db2.gz SLADABYHWAQXEW-FQEVSTJZSA-N 1 2 371.485 2.887 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3cccc(CC)c3)C[C@H]21 ZINC001221430901 1034752113 /nfs/dbraw/zinc/75/21/13/1034752113.db2.gz STFHYQBUEUWXAB-IEBWSBKVSA-N 1 2 355.482 2.686 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3cccc(CC)c3)C[C@H]21 ZINC001221430901 1034752124 /nfs/dbraw/zinc/75/21/24/1034752124.db2.gz STFHYQBUEUWXAB-IEBWSBKVSA-N 1 2 355.482 2.686 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)c3ccc(F)cc3F)C[C@H]21 ZINC001221436470 1034760186 /nfs/dbraw/zinc/76/01/86/1034760186.db2.gz YZGVTSYMXXGGKF-HBUWYVDXSA-N 1 2 350.409 2.761 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)c3ccc(F)cc3F)C[C@H]21 ZINC001221436470 1034760198 /nfs/dbraw/zinc/76/01/98/1034760198.db2.gz YZGVTSYMXXGGKF-HBUWYVDXSA-N 1 2 350.409 2.761 20 30 FFEDLO CS[C@H](C)CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221486911 1034810978 /nfs/dbraw/zinc/81/09/78/1034810978.db2.gz DANBHLCEZPDDLB-MZMPZRCHSA-N 1 2 361.486 2.872 20 30 FFEDLO CS[C@H](C)CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221486911 1034810992 /nfs/dbraw/zinc/81/09/92/1034810992.db2.gz DANBHLCEZPDDLB-MZMPZRCHSA-N 1 2 361.486 2.872 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc4n(n3)CCC4)C[C@H]21 ZINC001221573773 1034887050 /nfs/dbraw/zinc/88/70/50/1034887050.db2.gz WZVUSFWMDWPKME-YLJYHZDGSA-N 1 2 354.498 2.630 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc4n(n3)CCC4)C[C@H]21 ZINC001221573773 1034887062 /nfs/dbraw/zinc/88/70/62/1034887062.db2.gz WZVUSFWMDWPKME-YLJYHZDGSA-N 1 2 354.498 2.630 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(OC)ns3)C[C@H]21 ZINC001221573747 1034887597 /nfs/dbraw/zinc/88/75/97/1034887597.db2.gz VSALZSAFAZYWBU-NVXWUHKLSA-N 1 2 361.511 2.953 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(OC)ns3)C[C@H]21 ZINC001221573747 1034887603 /nfs/dbraw/zinc/88/76/03/1034887603.db2.gz VSALZSAFAZYWBU-NVXWUHKLSA-N 1 2 361.511 2.953 20 30 FFEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1n[nH]cc1Br)C2 ZINC001139023630 1034889821 /nfs/dbraw/zinc/88/98/21/1034889821.db2.gz PPMMHXOPHMIRNS-JKSUJKDBSA-N 1 2 370.291 2.746 20 30 FFEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1n[nH]cc1Br)C2 ZINC001139023630 1034889823 /nfs/dbraw/zinc/88/98/23/1034889823.db2.gz PPMMHXOPHMIRNS-JKSUJKDBSA-N 1 2 370.291 2.746 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3cccc(C)c3)C[C@H]21 ZINC001221582226 1034895230 /nfs/dbraw/zinc/89/52/30/1034895230.db2.gz KQWHFRLCMXZPDU-IEBWSBKVSA-N 1 2 355.482 2.823 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3cccc(C)c3)C[C@H]21 ZINC001221582226 1034895238 /nfs/dbraw/zinc/89/52/38/1034895238.db2.gz KQWHFRLCMXZPDU-IEBWSBKVSA-N 1 2 355.482 2.823 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)cn3)C[C@H]21)OCC ZINC001221586399 1034898925 /nfs/dbraw/zinc/89/89/25/1034898925.db2.gz JFALLMFUHLCNNK-LZQZEXGQSA-N 1 2 361.461 2.625 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)cn3)C[C@H]21)OCC ZINC001221586399 1034898938 /nfs/dbraw/zinc/89/89/38/1034898938.db2.gz JFALLMFUHLCNNK-LZQZEXGQSA-N 1 2 361.461 2.625 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)CCCCC)C[C@H]21 ZINC001221735688 1035027823 /nfs/dbraw/zinc/02/78/23/1035027823.db2.gz QJXATFSAQDHAEY-RCCFBDPRSA-N 1 2 363.546 2.816 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@@H](C)CCCCC)C[C@H]21 ZINC001221735688 1035027827 /nfs/dbraw/zinc/02/78/27/1035027827.db2.gz QJXATFSAQDHAEY-RCCFBDPRSA-N 1 2 363.546 2.816 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cn3c(cccc3F)n1)CCC2 ZINC001139568437 1035167994 /nfs/dbraw/zinc/16/79/94/1035167994.db2.gz NXAUZWVNHXNJLQ-UHFFFAOYSA-N 1 2 355.417 2.778 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cn3c(cccc3F)n1)CCC2 ZINC001139568437 1035167995 /nfs/dbraw/zinc/16/79/95/1035167995.db2.gz NXAUZWVNHXNJLQ-UHFFFAOYSA-N 1 2 355.417 2.778 20 30 FFEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1cc(C#N)ccc1F ZINC001139648207 1035188628 /nfs/dbraw/zinc/18/86/28/1035188628.db2.gz ZOBWDDUIULKACH-IBGZPJMESA-N 1 2 369.444 2.710 20 30 FFEDLO CC(C)C(=O)N1CCC[C@]2(C1)C[N@H+](Cc1cc(C#N)ccc1F)CCO2 ZINC001139649139 1035189464 /nfs/dbraw/zinc/18/94/64/1035189464.db2.gz OWKIFYKXPAGHQP-HXUWFJFHSA-N 1 2 359.445 2.547 20 30 FFEDLO CC(C)C(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1cc(C#N)ccc1F)CCO2 ZINC001139649139 1035189468 /nfs/dbraw/zinc/18/94/68/1035189468.db2.gz OWKIFYKXPAGHQP-HXUWFJFHSA-N 1 2 359.445 2.547 20 30 FFEDLO COc1ncc(Cl)cc1C[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001139749973 1035218689 /nfs/dbraw/zinc/21/86/89/1035218689.db2.gz PHZJQVLIRHBZIV-UHFFFAOYSA-N 1 2 357.845 2.723 20 30 FFEDLO COc1ncc(Cl)cc1C[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001139749973 1035218691 /nfs/dbraw/zinc/21/86/91/1035218691.db2.gz PHZJQVLIRHBZIV-UHFFFAOYSA-N 1 2 357.845 2.723 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](Cc2ccc(C)nc2)Cc2nnn(CC3CC3)c21 ZINC001139930422 1035280479 /nfs/dbraw/zinc/28/04/79/1035280479.db2.gz PCHSBGLFCGZSQI-GOSISDBHSA-N 1 2 353.470 2.694 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](Cc2ccc(C)nc2)Cc2nnn(CC3CC3)c21 ZINC001139930422 1035280482 /nfs/dbraw/zinc/28/04/82/1035280482.db2.gz PCHSBGLFCGZSQI-GOSISDBHSA-N 1 2 353.470 2.694 20 30 FFEDLO CSc1ncc(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)c(N)n1 ZINC001140252542 1035400284 /nfs/dbraw/zinc/40/02/84/1035400284.db2.gz RAGPGHVZQIMYJN-MRXNPFEDSA-N 1 2 355.467 2.696 20 30 FFEDLO CSc1ncc(C[N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)c(N)n1 ZINC001140252542 1035400286 /nfs/dbraw/zinc/40/02/86/1035400286.db2.gz RAGPGHVZQIMYJN-MRXNPFEDSA-N 1 2 355.467 2.696 20 30 FFEDLO N#Cc1cccc(CN2CC[C@]3(CCC[N@@H+]3Cc3ccns3)C2=O)c1 ZINC001277628110 1035495007 /nfs/dbraw/zinc/49/50/07/1035495007.db2.gz XWIXHKGFVPTILZ-LJQANCHMSA-N 1 2 352.463 2.782 20 30 FFEDLO N#Cc1cccc(CN2CC[C@]3(CCC[N@H+]3Cc3ccns3)C2=O)c1 ZINC001277628110 1035495013 /nfs/dbraw/zinc/49/50/13/1035495013.db2.gz XWIXHKGFVPTILZ-LJQANCHMSA-N 1 2 352.463 2.782 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cn1 ZINC001140546872 1035605394 /nfs/dbraw/zinc/60/53/94/1035605394.db2.gz XYCOKGNQSHXIEM-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cn1 ZINC001140546872 1035605399 /nfs/dbraw/zinc/60/53/99/1035605399.db2.gz XYCOKGNQSHXIEM-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccc(CO)o1)CC2 ZINC001140680330 1035867301 /nfs/dbraw/zinc/86/73/01/1035867301.db2.gz XWPYDWAMWWAADU-UHFFFAOYSA-N 1 2 357.454 2.639 20 30 FFEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccc(CO)o1)CC2 ZINC001140680330 1035867322 /nfs/dbraw/zinc/86/73/22/1035867322.db2.gz XWPYDWAMWWAADU-UHFFFAOYSA-N 1 2 357.454 2.639 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCN(c3ccc(Br)cn3)CC2)c1 ZINC001232673593 1035932124 /nfs/dbraw/zinc/93/21/24/1035932124.db2.gz JRJITZGQOYJRNC-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)c1 ZINC001232676155 1035933537 /nfs/dbraw/zinc/93/35/37/1035933537.db2.gz GPECYZLRJBNPNI-NVXWUHKLSA-N 1 2 354.479 2.817 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)c1 ZINC001232676155 1035933546 /nfs/dbraw/zinc/93/35/46/1035933546.db2.gz GPECYZLRJBNPNI-NVXWUHKLSA-N 1 2 354.479 2.817 20 30 FFEDLO Cn1ccc(CN2CCCC23CC[NH+](Cc2cc(C#N)ccc2O)CC3)n1 ZINC001232677047 1035936522 /nfs/dbraw/zinc/93/65/22/1035936522.db2.gz XPBQBMFJBZJRAP-UHFFFAOYSA-N 1 2 365.481 2.628 20 30 FFEDLO CCCn1cnc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC001232799984 1036043242 /nfs/dbraw/zinc/04/32/42/1036043242.db2.gz GPWZYEOWBURWLH-UHFFFAOYSA-N 1 2 366.469 2.951 20 30 FFEDLO COc1cc(O)cc(OC)c1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001140770755 1036100661 /nfs/dbraw/zinc/10/06/61/1036100661.db2.gz DKYQLAWPXQTFRI-UHFFFAOYSA-N 1 2 353.422 2.603 20 30 FFEDLO N#Cc1cccc(C[NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)n1 ZINC001232927242 1036166072 /nfs/dbraw/zinc/16/60/72/1036166072.db2.gz VJPUBENBNCETLF-UHFFFAOYSA-N 1 2 356.433 2.732 20 30 FFEDLO N#Cc1cccc(CN2CC[N@H+](Cc3ccccc3)[C@@H](CO)C2)c1Cl ZINC001140807925 1036195084 /nfs/dbraw/zinc/19/50/84/1036195084.db2.gz HLRCFUQHIFYCRF-LJQANCHMSA-N 1 2 355.869 2.890 20 30 FFEDLO N#Cc1cccc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](CO)C2)c1Cl ZINC001140807925 1036195100 /nfs/dbraw/zinc/19/51/00/1036195100.db2.gz HLRCFUQHIFYCRF-LJQANCHMSA-N 1 2 355.869 2.890 20 30 FFEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001233043525 1036288231 /nfs/dbraw/zinc/28/82/31/1036288231.db2.gz DUKWZCJHRWKFGI-MISYRCLQSA-N 1 2 352.438 2.620 20 30 FFEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001233043525 1036288239 /nfs/dbraw/zinc/28/82/39/1036288239.db2.gz DUKWZCJHRWKFGI-MISYRCLQSA-N 1 2 352.438 2.620 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3O)CC2)c1 ZINC001233418347 1036610666 /nfs/dbraw/zinc/61/06/66/1036610666.db2.gz CMZHLCRNCJVNIC-UHFFFAOYSA-N 1 2 362.355 3.000 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233505048 1036664228 /nfs/dbraw/zinc/66/42/28/1036664228.db2.gz SZTZAUNJPOEFGQ-QKQQNXCLSA-N 1 2 363.845 2.615 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233505048 1036664241 /nfs/dbraw/zinc/66/42/41/1036664241.db2.gz SZTZAUNJPOEFGQ-QKQQNXCLSA-N 1 2 363.845 2.615 20 30 FFEDLO N#CCCCN1C[C@@]2(F)C[N@@H+](Cc3cccc4ccoc43)C[C@@]2(F)C1=O ZINC001277795185 1036692691 /nfs/dbraw/zinc/69/26/91/1036692691.db2.gz UARFDRKUKOCPGT-RBUKOAKNSA-N 1 2 359.376 2.811 20 30 FFEDLO N#CCCCN1C[C@@]2(F)C[N@H+](Cc3cccc4ccoc43)C[C@@]2(F)C1=O ZINC001277795185 1036692694 /nfs/dbraw/zinc/69/26/94/1036692694.db2.gz UARFDRKUKOCPGT-RBUKOAKNSA-N 1 2 359.376 2.811 20 30 FFEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Br)[nH]1)CC2 ZINC001277850069 1037006961 /nfs/dbraw/zinc/00/69/61/1037006961.db2.gz MTADXGWHPOXLSJ-CYBMUJFWSA-N 1 2 352.276 2.682 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)NCC(F)(F)F)CC2)c1 ZINC001277850549 1037007733 /nfs/dbraw/zinc/00/77/33/1037007733.db2.gz VCCGYMZPNSJPLN-AWEZNQCLSA-N 1 2 367.371 2.544 20 30 FFEDLO N#Cc1cc(I)c(O[C@H]2C[NH+]3CCC2CC3)cc1F ZINC001234391390 1037014641 /nfs/dbraw/zinc/01/46/41/1037014641.db2.gz SPVMAMXEVLVMIF-AWEZNQCLSA-N 1 2 372.181 2.775 20 30 FFEDLO N#C[C@@H]1CC[C@@H](Oc2nc(=O)[nH]c3c2CC[N@H+](Cc2ccccc2)C3)C1 ZINC001230189751 1037137342 /nfs/dbraw/zinc/13/73/42/1037137342.db2.gz VVBIFHOPCHIPFJ-HZPDHXFCSA-N 1 2 350.422 2.812 20 30 FFEDLO N#C[C@@H]1CC[C@@H](Oc2nc(=O)[nH]c3c2CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001230189751 1037137347 /nfs/dbraw/zinc/13/73/47/1037137347.db2.gz VVBIFHOPCHIPFJ-HZPDHXFCSA-N 1 2 350.422 2.812 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2cccs2)C[C@H]1C ZINC001207190266 1037231090 /nfs/dbraw/zinc/23/10/90/1037231090.db2.gz KLEOEPVMNAQZSS-BZUAXINKSA-N 1 2 363.527 2.718 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2cccs2)C[C@H]1C ZINC001207190266 1037231102 /nfs/dbraw/zinc/23/11/02/1037231102.db2.gz KLEOEPVMNAQZSS-BZUAXINKSA-N 1 2 363.527 2.718 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCCN2c2nc(NCC3CC3)c(C)c[nH+]2)C1=O ZINC001277922209 1037363775 /nfs/dbraw/zinc/36/37/75/1037363775.db2.gz SKWVGNALLYHSCO-HXUWFJFHSA-N 1 2 355.486 2.754 20 30 FFEDLO CCOc1nc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)s1 ZINC001231090286 1037464805 /nfs/dbraw/zinc/46/48/05/1037464805.db2.gz CXQIHZLXFIOXMT-OAHLLOKOSA-N 1 2 359.451 2.693 20 30 FFEDLO CCOc1nc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)s1 ZINC001231090286 1037464814 /nfs/dbraw/zinc/46/48/14/1037464814.db2.gz CXQIHZLXFIOXMT-OAHLLOKOSA-N 1 2 359.451 2.693 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](CC(=O)Nc3ccc(C)cc3)C[C@H]2C)CCC1 ZINC001207510398 1037506005 /nfs/dbraw/zinc/50/60/05/1037506005.db2.gz PJPUXHZADGSNPZ-IEBWSBKVSA-N 1 2 367.493 2.564 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](CC(=O)Nc3ccc(C)cc3)C[C@H]2C)CCC1 ZINC001207510398 1037506012 /nfs/dbraw/zinc/50/60/12/1037506012.db2.gz PJPUXHZADGSNPZ-IEBWSBKVSA-N 1 2 367.493 2.564 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC001235488521 1037584852 /nfs/dbraw/zinc/58/48/52/1037584852.db2.gz IYVBCJOVKJCVLN-BZUAXINKSA-N 1 2 360.420 2.538 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC001235488521 1037584866 /nfs/dbraw/zinc/58/48/66/1037584866.db2.gz IYVBCJOVKJCVLN-BZUAXINKSA-N 1 2 360.420 2.538 20 30 FFEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1c(F)cc(C#N)cc1F)C2 ZINC001235657342 1037668491 /nfs/dbraw/zinc/66/84/91/1037668491.db2.gz OAOOFUVFKOECOG-UHFFFAOYSA-N 1 2 374.439 2.674 20 30 FFEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1c(F)cc(C#N)cc1F)C2 ZINC001235657342 1037668500 /nfs/dbraw/zinc/66/85/00/1037668500.db2.gz OAOOFUVFKOECOG-UHFFFAOYSA-N 1 2 374.439 2.674 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1cc3cc(OC)ccc3s1)C2 ZINC001277540607 1037720992 /nfs/dbraw/zinc/72/09/92/1037720992.db2.gz OYRJFFRDIRNKDA-UHFFFAOYSA-N 1 2 372.490 2.899 20 30 FFEDLO C=CCOc1cccc(C[N@H+]2Cc3nccn3C[C@H](Cn3cccn3)C2)c1 ZINC001231623250 1037747837 /nfs/dbraw/zinc/74/78/37/1037747837.db2.gz YTAJYUJBFPSRFS-LJQANCHMSA-N 1 2 363.465 2.977 20 30 FFEDLO C=CCOc1cccc(C[N@@H+]2Cc3nccn3C[C@H](Cn3cccn3)C2)c1 ZINC001231623250 1037747847 /nfs/dbraw/zinc/74/78/47/1037747847.db2.gz YTAJYUJBFPSRFS-LJQANCHMSA-N 1 2 363.465 2.977 20 30 FFEDLO C#Cc1cccc(CN2CCc3c([nH+]cn3C(C)C)[C@H]2CNC(C)=O)c1 ZINC001231655082 1037779997 /nfs/dbraw/zinc/77/99/97/1037779997.db2.gz KTWAQSQLKNVSCB-HXUWFJFHSA-N 1 2 350.466 2.681 20 30 FFEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1c(F)cc(O)cc1F)CC2 ZINC001276557529 1038062017 /nfs/dbraw/zinc/06/20/17/1038062017.db2.gz BZKKDDYRSHYFBX-OAHLLOKOSA-N 1 2 350.409 2.965 20 30 FFEDLO CCOCCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C#N)c(Cl)c2)C1=O ZINC001277596981 1038093463 /nfs/dbraw/zinc/09/34/63/1038093463.db2.gz SRQCEUPQFGLKHN-LJQANCHMSA-N 1 2 361.873 2.815 20 30 FFEDLO CCOCCN1CC[C@]2(CCC[N@H+]2Cc2ccc(C#N)c(Cl)c2)C1=O ZINC001277596981 1038093482 /nfs/dbraw/zinc/09/34/82/1038093482.db2.gz SRQCEUPQFGLKHN-LJQANCHMSA-N 1 2 361.873 2.815 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001208385071 1038272772 /nfs/dbraw/zinc/27/27/72/1038272772.db2.gz OTVDHAFWJAEVKE-ZHALLVOQSA-N 1 2 357.498 2.972 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001208385071 1038272778 /nfs/dbraw/zinc/27/27/78/1038272778.db2.gz OTVDHAFWJAEVKE-ZHALLVOQSA-N 1 2 357.498 2.972 20 30 FFEDLO Cc1ncsc1CN1C[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3O)[C@@H]2C1 ZINC001278895454 1038276166 /nfs/dbraw/zinc/27/61/66/1038276166.db2.gz QXVVOMFAOFIDAK-DOTOQJQBSA-N 1 2 354.479 2.735 20 30 FFEDLO Cc1ncsc1CN1C[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3O)[C@@H]2C1 ZINC001278895454 1038276171 /nfs/dbraw/zinc/27/61/71/1038276171.db2.gz QXVVOMFAOFIDAK-DOTOQJQBSA-N 1 2 354.479 2.735 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccoc3)no2)C[C@H]1C ZINC001208389129 1038277363 /nfs/dbraw/zinc/27/73/63/1038277363.db2.gz YXRVQHQFFSLGQS-SQWLQELKSA-N 1 2 358.442 2.868 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccoc3)no2)C[C@H]1C ZINC001208389129 1038277368 /nfs/dbraw/zinc/27/73/68/1038277368.db2.gz YXRVQHQFFSLGQS-SQWLQELKSA-N 1 2 358.442 2.868 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)cc1Br ZINC001236861829 1038313699 /nfs/dbraw/zinc/31/36/99/1038313699.db2.gz UVWRZVHAHWHWII-CQSZACIVSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3cnccn3)C2)cc1Br ZINC001236861829 1038313709 /nfs/dbraw/zinc/31/37/09/1038313709.db2.gz UVWRZVHAHWHWII-CQSZACIVSA-N 1 2 359.227 2.764 20 30 FFEDLO C[NH+]1CCN(c2ccc(CN3CCC[C@H]3C#N)cc2Br)CC1 ZINC001237088948 1038440681 /nfs/dbraw/zinc/44/06/81/1038440681.db2.gz CLEJBLLQJTUXNM-HNNXBMFYSA-N 1 2 363.303 2.689 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1CCCc1ccccc1OC ZINC001208835728 1038548697 /nfs/dbraw/zinc/54/86/97/1038548697.db2.gz OJBDGAIOYIHOOD-GOSISDBHSA-N 1 2 356.470 2.558 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1CCCc1ccccc1OC ZINC001208835728 1038548700 /nfs/dbraw/zinc/54/87/00/1038548700.db2.gz OJBDGAIOYIHOOD-GOSISDBHSA-N 1 2 356.470 2.558 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC001209003908 1038627042 /nfs/dbraw/zinc/62/70/42/1038627042.db2.gz LBRSEXZBUOGVQW-MRXNPFEDSA-N 1 2 374.460 2.829 20 30 FFEDLO C=CCN(CC[N@@H+]1CCC[C@H]2[C@@H]1CN2C(=O)OC(C)(C)C)C(=O)OCC ZINC001209019379 1038636146 /nfs/dbraw/zinc/63/61/46/1038636146.db2.gz MUASBSLXPGNHCX-HOTGVXAUSA-N 1 2 367.490 2.715 20 30 FFEDLO C=CCN(CC[N@H+]1CCC[C@H]2[C@@H]1CN2C(=O)OC(C)(C)C)C(=O)OCC ZINC001209019379 1038636148 /nfs/dbraw/zinc/63/61/48/1038636148.db2.gz MUASBSLXPGNHCX-HOTGVXAUSA-N 1 2 367.490 2.715 20 30 FFEDLO C=CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC001257527703 1038852052 /nfs/dbraw/zinc/85/20/52/1038852052.db2.gz FGXWAMADEQFZDP-VIFPVBQESA-N 1 2 355.312 2.984 20 30 FFEDLO C=CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC001257527703 1038852082 /nfs/dbraw/zinc/85/20/82/1038852082.db2.gz FGXWAMADEQFZDP-VIFPVBQESA-N 1 2 355.312 2.984 20 30 FFEDLO C=CCCCCC[N@H+]1CC(=O)NC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001209422988 1038853394 /nfs/dbraw/zinc/85/33/94/1038853394.db2.gz BWBUELBUSXFPSW-IBGZPJMESA-N 1 2 351.491 2.544 20 30 FFEDLO C=CCCCCC[N@@H+]1CC(=O)NC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001209422988 1038853420 /nfs/dbraw/zinc/85/34/20/1038853420.db2.gz BWBUELBUSXFPSW-IBGZPJMESA-N 1 2 351.491 2.544 20 30 FFEDLO C=CCn1cnc2c1ncnc2Nc1ccccc1C[NH+]1CCOCC1 ZINC001209927615 1039291898 /nfs/dbraw/zinc/29/18/98/1039291898.db2.gz XWPFTTMPNTZARC-UHFFFAOYSA-N 1 2 350.426 2.588 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)c4cccc(F)c4Cl)C3)C2)cc1C#N ZINC001278637308 1039301007 /nfs/dbraw/zinc/30/10/07/1039301007.db2.gz DMOJNBFUBDBIOD-UHFFFAOYSA-N 1 2 372.831 2.647 20 30 FFEDLO CCCCCCCCOC(=O)CN[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246307069 1039309149 /nfs/dbraw/zinc/30/91/49/1039309149.db2.gz BIGLRSWPFVRSKZ-HOTGVXAUSA-N 1 2 356.507 2.552 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2cc(Cl)ccn2)C3)cc1C#N ZINC001278653480 1039458767 /nfs/dbraw/zinc/45/87/67/1039458767.db2.gz CWUJWLTZPIDILA-BEFAXECRSA-N 1 2 355.873 2.651 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cc(Cl)ccn2)C3)cc1C#N ZINC001278653480 1039458774 /nfs/dbraw/zinc/45/87/74/1039458774.db2.gz CWUJWLTZPIDILA-BEFAXECRSA-N 1 2 355.873 2.651 20 30 FFEDLO C=CCC[C@@H](O)CNc1cncnc1[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001252587560 1039603551 /nfs/dbraw/zinc/60/35/51/1039603551.db2.gz FOMNBGYAWVCNOV-QUCCMNQESA-N 1 2 368.481 2.789 20 30 FFEDLO C=CCC[C@@H](O)CNc1cncnc1[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001252587560 1039603556 /nfs/dbraw/zinc/60/35/56/1039603556.db2.gz FOMNBGYAWVCNOV-QUCCMNQESA-N 1 2 368.481 2.789 20 30 FFEDLO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2ccc(S(=O)(=O)c3ccccc3)cc2)no1 ZINC001247621036 1039839470 /nfs/dbraw/zinc/83/94/70/1039839470.db2.gz DYHNUSVFAAAQAN-AUUYWEPGSA-N 1 2 367.430 2.929 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[N@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001253236285 1040060823 /nfs/dbraw/zinc/06/08/23/1040060823.db2.gz RJFNETHPLSNOCX-SJLPKXTDSA-N 1 2 350.507 2.731 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001253236285 1040060839 /nfs/dbraw/zinc/06/08/39/1040060839.db2.gz RJFNETHPLSNOCX-SJLPKXTDSA-N 1 2 350.507 2.731 20 30 FFEDLO N#Cc1ccccc1OC1C[NH+](C[C@@H](O)CCOCc2ccccc2)C1 ZINC001253277644 1040091121 /nfs/dbraw/zinc/09/11/21/1040091121.db2.gz UEGWEUXBSQKNOB-IBGZPJMESA-N 1 2 352.434 2.589 20 30 FFEDLO C=CCS(=O)(=O)NCc1c[nH+]cn1Cc1cccc(C(F)(F)F)c1 ZINC001259935974 1040306524 /nfs/dbraw/zinc/30/65/24/1040306524.db2.gz FXOLDSMMEZSBSJ-UHFFFAOYSA-N 1 2 359.373 2.556 20 30 FFEDLO N#Cc1cc(N)ccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001213487463 1040603623 /nfs/dbraw/zinc/60/36/23/1040603623.db2.gz UZMSKEBUTHTYJN-UHFFFAOYSA-N 1 2 356.401 2.734 20 30 FFEDLO C=C1CC(C)(C(=O)NCC2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001299677679 1040616666 /nfs/dbraw/zinc/61/66/66/1040616666.db2.gz DVVLZDUKUHSASV-HZPDHXFCSA-N 1 2 370.497 2.614 20 30 FFEDLO C=C1CC(C)(C(=O)NCC2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001299677679 1040616671 /nfs/dbraw/zinc/61/66/71/1040616671.db2.gz DVVLZDUKUHSASV-HZPDHXFCSA-N 1 2 370.497 2.614 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC001213541514 1040659748 /nfs/dbraw/zinc/65/97/48/1040659748.db2.gz AWCJPXRGAUETOH-KRWDZBQOSA-N 1 2 354.475 2.735 20 30 FFEDLO CC[C@@H](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213609178 1040715723 /nfs/dbraw/zinc/71/57/23/1040715723.db2.gz ONKDNTVNHROOQY-NIKGAXFTSA-N 1 2 361.461 2.839 20 30 FFEDLO CC[C@@H](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213609178 1040715739 /nfs/dbraw/zinc/71/57/39/1040715739.db2.gz ONKDNTVNHROOQY-NIKGAXFTSA-N 1 2 361.461 2.839 20 30 FFEDLO C=C[C@@H]1C[C@]1([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)OCC ZINC001254467469 1040736305 /nfs/dbraw/zinc/73/63/05/1040736305.db2.gz AQOJCGFFUZPKMW-AUUYWEPGSA-N 1 2 359.426 2.661 20 30 FFEDLO CCC(CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213628955 1040737007 /nfs/dbraw/zinc/73/70/07/1040737007.db2.gz DUYHYPQHYJTGRV-RTBURBONSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC(CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213628955 1040737022 /nfs/dbraw/zinc/73/70/22/1040737022.db2.gz DUYHYPQHYJTGRV-RTBURBONSA-N 1 2 361.461 2.839 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)CCC1(C)CC1 ZINC001213666892 1040778042 /nfs/dbraw/zinc/77/80/42/1040778042.db2.gz LKNSWYBLQXEXNS-RTBURBONSA-N 1 2 358.457 2.573 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)CCC1(C)CC1 ZINC001213666892 1040778057 /nfs/dbraw/zinc/77/80/57/1040778057.db2.gz LKNSWYBLQXEXNS-RTBURBONSA-N 1 2 358.457 2.573 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2c(C)sc3c2cccc3C)C1 ZINC001213680054 1040787294 /nfs/dbraw/zinc/78/72/94/1040787294.db2.gz KMEUWIFZRQHIAZ-OAHLLOKOSA-N 1 2 362.520 2.894 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(C)sc3c2cccc3C)C1 ZINC001213680054 1040787312 /nfs/dbraw/zinc/78/73/12/1040787312.db2.gz KMEUWIFZRQHIAZ-OAHLLOKOSA-N 1 2 362.520 2.894 20 30 FFEDLO CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213807118 1040934837 /nfs/dbraw/zinc/93/48/37/1040934837.db2.gz XMPYNUPVQVPVHH-RTBURBONSA-N 1 2 361.461 2.983 20 30 FFEDLO CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213807118 1040934855 /nfs/dbraw/zinc/93/48/55/1040934855.db2.gz XMPYNUPVQVPVHH-RTBURBONSA-N 1 2 361.461 2.983 20 30 FFEDLO N#Cc1c(F)cc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)cc1F ZINC001261550173 1041303575 /nfs/dbraw/zinc/30/35/75/1041303575.db2.gz QWUVSSFKALWBBX-IBGZPJMESA-N 1 2 370.403 2.902 20 30 FFEDLO N#Cc1c(F)cc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)cc1F ZINC001261550173 1041303589 /nfs/dbraw/zinc/30/35/89/1041303589.db2.gz QWUVSSFKALWBBX-IBGZPJMESA-N 1 2 370.403 2.902 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncsc2Br)C1 ZINC001214303841 1041366405 /nfs/dbraw/zinc/36/64/05/1041366405.db2.gz BYTUEYIYPWKVHK-ZYHUDNBSSA-N 1 2 358.305 2.808 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc([C@@H](C)OCC(C)C)no2)C1 ZINC001214305474 1041367608 /nfs/dbraw/zinc/36/76/08/1041367608.db2.gz DVZYPHFMJCQRLC-BZUAXINKSA-N 1 2 364.490 2.706 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H]([N@@H+]2Cc3cccc(C#N)c3C2)C1 ZINC001261799877 1041425914 /nfs/dbraw/zinc/42/59/14/1041425914.db2.gz AEJXVYHMCJNZHN-FXAWDEMLSA-N 1 2 357.454 2.634 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H]([N@H+]2Cc3cccc(C#N)c3C2)C1 ZINC001261799877 1041425922 /nfs/dbraw/zinc/42/59/22/1041425922.db2.gz AEJXVYHMCJNZHN-FXAWDEMLSA-N 1 2 357.454 2.634 20 30 FFEDLO N#CCOc1cccc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC001261908361 1041471292 /nfs/dbraw/zinc/47/12/92/1041471292.db2.gz KZECWLNGQZVSCF-AWEZNQCLSA-N 1 2 352.316 2.595 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(OCC)s2)C1 ZINC001214708278 1041544145 /nfs/dbraw/zinc/54/41/45/1041544145.db2.gz YNTFRPTUYHHDNV-UKRRQHHQSA-N 1 2 364.515 2.642 20 30 FFEDLO Cn1c(N2CC[NH+](Cc3ccccc3Cl)CC2)nnc1C(C)(C)CC#N ZINC001262885519 1041931195 /nfs/dbraw/zinc/93/11/95/1041931195.db2.gz WNOIBMMNKZPHCV-UHFFFAOYSA-N 1 2 372.904 2.982 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC[C@@H](c2ccccc2C)C1 ZINC001262947426 1041982067 /nfs/dbraw/zinc/98/20/67/1041982067.db2.gz LSJTWTCLWHOHRL-AOIWGVFYSA-N 1 2 367.497 2.504 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC[C@@H](c2ccccc2C)C1 ZINC001262947426 1041982072 /nfs/dbraw/zinc/98/20/72/1041982072.db2.gz LSJTWTCLWHOHRL-AOIWGVFYSA-N 1 2 367.497 2.504 20 30 FFEDLO C=CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(CC)o2)C1)c1ccccc1 ZINC001216806138 1042127630 /nfs/dbraw/zinc/12/76/30/1042127630.db2.gz CYZKXHNUSSSFTG-KBAYOESNSA-N 1 2 368.481 2.928 20 30 FFEDLO C[C@@H](C#N)CN(C)c1nnc(C[NH+]2CCCC2)n1CCc1ccccc1 ZINC001263171181 1042147226 /nfs/dbraw/zinc/14/72/26/1042147226.db2.gz JNLLSRNWXNVMQI-KRWDZBQOSA-N 1 2 352.486 2.712 20 30 FFEDLO C=C(C)Cn1c(N(C)C[C@@H]2CC=CCC2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001263285912 1042221353 /nfs/dbraw/zinc/22/13/53/1042221353.db2.gz QYOHHVKYWOPKAL-FUHIMQAGSA-N 1 2 359.518 2.558 20 30 FFEDLO C=C(C)Cn1c(N(C)C[C@@H]2CC=CCC2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001263285912 1042221358 /nfs/dbraw/zinc/22/13/58/1042221358.db2.gz QYOHHVKYWOPKAL-FUHIMQAGSA-N 1 2 359.518 2.558 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC[C@H](OCC2CC2)C1 ZINC001263287917 1042222891 /nfs/dbraw/zinc/22/28/91/1042222891.db2.gz YOKNUMUEXSWTQY-SFHVURJKSA-N 1 2 359.518 2.845 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2CCC[N@H+]2C)n1C[C@H]1CCCCO1 ZINC001263587281 1042388141 /nfs/dbraw/zinc/38/81/41/1042388141.db2.gz YQKXLVMCKKBRBS-KZNAEPCWSA-N 1 2 357.502 2.606 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2CCC[N@@H+]2C)n1C[C@H]1CCCCO1 ZINC001263587281 1042388149 /nfs/dbraw/zinc/38/81/49/1042388149.db2.gz YQKXLVMCKKBRBS-KZNAEPCWSA-N 1 2 357.502 2.606 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1 ZINC001263756539 1042469157 /nfs/dbraw/zinc/46/91/57/1042469157.db2.gz QWEZQBZUYHBZIR-IBGZPJMESA-N 1 2 366.513 2.773 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CCCC(C)=O)C1 ZINC001264038063 1042590803 /nfs/dbraw/zinc/59/08/03/1042590803.db2.gz CYVFDGCDKVRRBN-WOJBJXKFSA-N 1 2 358.457 2.882 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CCCC(C)=O)C1 ZINC001264038063 1042590807 /nfs/dbraw/zinc/59/08/07/1042590807.db2.gz CYVFDGCDKVRRBN-WOJBJXKFSA-N 1 2 358.457 2.882 20 30 FFEDLO Cc1nnc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CC#Cc2ccccc2)o1 ZINC001264566973 1042719458 /nfs/dbraw/zinc/71/94/58/1042719458.db2.gz OSXLKWMVFJTGNA-APWZRJJASA-N 1 2 366.465 2.537 20 30 FFEDLO CC(C)C#CC(=O)N[C@H]1CC[N@H+](Cc2ccn(-c3ccccc3)n2)[C@@H]1C ZINC001264700135 1042786156 /nfs/dbraw/zinc/78/61/56/1042786156.db2.gz UDGGJAQXWDYVLA-XLIONFOSSA-N 1 2 350.466 2.611 20 30 FFEDLO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](Cc2ccn(-c3ccccc3)n2)[C@@H]1C ZINC001264700135 1042786159 /nfs/dbraw/zinc/78/61/59/1042786159.db2.gz UDGGJAQXWDYVLA-XLIONFOSSA-N 1 2 350.466 2.611 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(CCOC)CCC2)[C@H]1C ZINC001264729209 1042810330 /nfs/dbraw/zinc/81/03/30/1042810330.db2.gz HOZDTLXBCJQVPD-KGLIPLIRSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(CCOC)CCC2)[C@H]1C ZINC001264729209 1042810337 /nfs/dbraw/zinc/81/03/37/1042810337.db2.gz HOZDTLXBCJQVPD-KGLIPLIRSA-N 1 2 359.308 2.681 20 30 FFEDLO CC(C)NC(=O)N1CC2(C1)CC[NH+](Cc1c(F)ccc(C#N)c1F)CC2 ZINC001279133349 1042913059 /nfs/dbraw/zinc/91/30/59/1042913059.db2.gz LJZANNLLKALQIY-UHFFFAOYSA-N 1 2 362.424 2.852 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CC3(CCN3Cc3nccn3CC)C2)cc1 ZINC001279227308 1042953974 /nfs/dbraw/zinc/95/39/74/1042953974.db2.gz WFRRFFDZWZWIMH-UHFFFAOYSA-N 1 2 352.482 2.928 20 30 FFEDLO Cc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(Cc2cccc(C#N)c2Cl)C3)n(C)n1 ZINC001279320349 1042999129 /nfs/dbraw/zinc/99/91/29/1042999129.db2.gz OLUWREALIMCXTO-BEFAXECRSA-N 1 2 369.900 2.960 20 30 FFEDLO Cc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(Cc2cccc(C#N)c2Cl)C3)n(C)n1 ZINC001279320349 1042999130 /nfs/dbraw/zinc/99/91/30/1042999130.db2.gz OLUWREALIMCXTO-BEFAXECRSA-N 1 2 369.900 2.960 20 30 FFEDLO Cc1cc(Cl)cc(C[NH+]2CC3(CN(C(=O)C4(C#N)CCOCC4)C3)C2)c1 ZINC001279374633 1043035819 /nfs/dbraw/zinc/03/58/19/1043035819.db2.gz IJXKQFGJARIKPK-UHFFFAOYSA-N 1 2 373.884 2.613 20 30 FFEDLO N#Cc1cc(C[NH+]2CCC(NC(=O)c3ccccn3)CC2)c(F)cc1F ZINC001237536467 1043224155 /nfs/dbraw/zinc/22/41/55/1043224155.db2.gz LSLDHMPEJGOZMU-UHFFFAOYSA-N 1 2 356.376 2.626 20 30 FFEDLO CC(C)OCc1ncn2c1C[N@H+](Cc1cn3cc(C#N)ccc3n1)CCC2 ZINC001237614289 1043271747 /nfs/dbraw/zinc/27/17/47/1043271747.db2.gz NCIFMOWPGWOENB-UHFFFAOYSA-N 1 2 364.453 2.733 20 30 FFEDLO CC(C)OCc1ncn2c1C[N@@H+](Cc1cn3cc(C#N)ccc3n1)CCC2 ZINC001237614289 1043271754 /nfs/dbraw/zinc/27/17/54/1043271754.db2.gz NCIFMOWPGWOENB-UHFFFAOYSA-N 1 2 364.453 2.733 20 30 FFEDLO CC(C)n1nccc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cc(C#N)n(C)c1 ZINC001279575033 1043282379 /nfs/dbraw/zinc/28/23/79/1043282379.db2.gz GYTYVBCTFSOISJ-HDICACEKSA-N 1 2 352.486 2.523 20 30 FFEDLO CC(C)n1nccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cc(C#N)n(C)c1 ZINC001279575033 1043282388 /nfs/dbraw/zinc/28/23/88/1043282388.db2.gz GYTYVBCTFSOISJ-HDICACEKSA-N 1 2 352.486 2.523 20 30 FFEDLO C=CCCCC[N@@H+]1CCc2[nH]nc(C(=O)N(C)C3CC(F)(F)C3)c2C1 ZINC001279719874 1043524040 /nfs/dbraw/zinc/52/40/40/1043524040.db2.gz IXGQMVWXQCBLQF-UHFFFAOYSA-N 1 2 352.429 2.994 20 30 FFEDLO C=CCCCC[N@H+]1CCc2[nH]nc(C(=O)N(C)C3CC(F)(F)C3)c2C1 ZINC001279719874 1043524045 /nfs/dbraw/zinc/52/40/45/1043524045.db2.gz IXGQMVWXQCBLQF-UHFFFAOYSA-N 1 2 352.429 2.994 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001309797975 1043531096 /nfs/dbraw/zinc/53/10/96/1043531096.db2.gz TYBWSQYEVIQUKC-IBGZPJMESA-N 1 2 351.431 2.584 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCc3onc(C(=O)NC4(C#N)CCC4)c3C2)c1 ZINC001279732589 1043548782 /nfs/dbraw/zinc/54/87/82/1043548782.db2.gz ZXLUJPRYTAMODS-UHFFFAOYSA-N 1 2 350.422 2.717 20 30 FFEDLO Cc1cccc(C[N@H+]2CCc3onc(C(=O)NC4(C#N)CCC4)c3C2)c1 ZINC001279732589 1043548785 /nfs/dbraw/zinc/54/87/85/1043548785.db2.gz ZXLUJPRYTAMODS-UHFFFAOYSA-N 1 2 350.422 2.717 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)c3ccccc32)C1 ZINC001309844473 1043552208 /nfs/dbraw/zinc/55/22/08/1043552208.db2.gz PRXIVIQNUSXPBO-CQSZACIVSA-N 1 2 362.882 2.869 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)c3ccccc32)C1 ZINC001309844473 1043552218 /nfs/dbraw/zinc/55/22/18/1043552218.db2.gz PRXIVIQNUSXPBO-CQSZACIVSA-N 1 2 362.882 2.869 20 30 FFEDLO Cn1cc(C[N@@H+]2CCO[C@@]3(CCCN(c4ccsc4)C3)C2)cc1C#N ZINC001279749065 1043581542 /nfs/dbraw/zinc/58/15/42/1043581542.db2.gz SWLBQABCGHDIHB-IBGZPJMESA-N 1 2 356.495 2.830 20 30 FFEDLO Cn1cc(C[N@H+]2CCO[C@@]3(CCCN(c4ccsc4)C3)C2)cc1C#N ZINC001279749065 1043581549 /nfs/dbraw/zinc/58/15/49/1043581549.db2.gz SWLBQABCGHDIHB-IBGZPJMESA-N 1 2 356.495 2.830 20 30 FFEDLO CCCCCCCNC(=S)N1CC2(C1)C[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001279957127 1043982309 /nfs/dbraw/zinc/98/23/09/1043982309.db2.gz KWWVCJPBQWQOJB-UHFFFAOYSA-N 1 2 362.543 2.750 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3ccc4ncccc4c3C#N)cn2)CC1 ZINC001241567853 1044553481 /nfs/dbraw/zinc/55/34/81/1044553481.db2.gz HPNSAJFZCNKJSE-UHFFFAOYSA-N 1 2 372.476 2.828 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nc(-c3ccccc3C)no2)[C@@H]1C ZINC001316781750 1044949257 /nfs/dbraw/zinc/94/92/57/1044949257.db2.gz WPKLOTKUWKUYNW-AEFFLSMTSA-N 1 2 366.465 2.928 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3C)no2)[C@@H]1C ZINC001316781750 1044949268 /nfs/dbraw/zinc/94/92/68/1044949268.db2.gz WPKLOTKUWKUYNW-AEFFLSMTSA-N 1 2 366.465 2.928 20 30 FFEDLO C=C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccn(CC)n2)[C@@H]1C)c1ccccc1 ZINC001316799176 1045018859 /nfs/dbraw/zinc/01/88/59/1045018859.db2.gz MNRQZDCNFCTEPJ-UXPWSPDFSA-N 1 2 352.482 2.952 20 30 FFEDLO C=C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccn(CC)n2)[C@@H]1C)c1ccccc1 ZINC001316799176 1045018875 /nfs/dbraw/zinc/01/88/75/1045018875.db2.gz MNRQZDCNFCTEPJ-UXPWSPDFSA-N 1 2 352.482 2.952 20 30 FFEDLO N#Cc1c[nH]c2ncc(-c3ccc(OCC[NH+]4CCOCC4)cc3F)cc12 ZINC001244135154 1045084810 /nfs/dbraw/zinc/08/48/10/1045084810.db2.gz MAPCFJNSKJFSCL-UHFFFAOYSA-N 1 2 366.396 2.952 20 30 FFEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC001319553472 1045191946 /nfs/dbraw/zinc/19/19/46/1045191946.db2.gz VKKASRGGKQOIMC-UHFFFAOYSA-N 1 2 357.479 2.947 20 30 FFEDLO C#CCOCC[N@H+](C)CC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC001319553472 1045191951 /nfs/dbraw/zinc/19/19/51/1045191951.db2.gz VKKASRGGKQOIMC-UHFFFAOYSA-N 1 2 357.479 2.947 20 30 FFEDLO C=CC[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)C(=O)OCC ZINC001321037592 1045519077 /nfs/dbraw/zinc/51/90/77/1045519077.db2.gz OSSIOMRIWMWSHE-ROUUACIJSA-N 1 2 362.445 2.804 20 30 FFEDLO C=CC[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)C(=O)OCC ZINC001321037592 1045519086 /nfs/dbraw/zinc/51/90/86/1045519086.db2.gz OSSIOMRIWMWSHE-ROUUACIJSA-N 1 2 362.445 2.804 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@]2(C)C1 ZINC001282446305 1045629068 /nfs/dbraw/zinc/62/90/68/1045629068.db2.gz LKLNARXLBYFLDG-GCJKJVERSA-N 1 2 367.493 2.731 20 30 FFEDLO C=CC1CCN(c2nnc(CC(C)C)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001539890617 1070721467 /nfs/dbraw/zinc/72/14/67/1070721467.db2.gz QSJLPXQQWNOPHZ-KRWDZBQOSA-N 1 2 361.534 2.600 20 30 FFEDLO C=CC1CCN(c2nnc(CC(C)C)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001539890617 1070721477 /nfs/dbraw/zinc/72/14/77/1070721477.db2.gz QSJLPXQQWNOPHZ-KRWDZBQOSA-N 1 2 361.534 2.600 20 30 FFEDLO C=CCC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C3)CCC1 ZINC001282637470 1046000246 /nfs/dbraw/zinc/00/02/46/1046000246.db2.gz RTUCQGRRBSEFLD-BGTYHANMSA-N 1 2 370.497 2.583 20 30 FFEDLO C=CCC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C3)CCC1 ZINC001282637470 1046000265 /nfs/dbraw/zinc/00/02/65/1046000265.db2.gz RTUCQGRRBSEFLD-BGTYHANMSA-N 1 2 370.497 2.583 20 30 FFEDLO C=CCN(C)c1nnc(Cc2ccccn2)n1CCCNc1cccc[nH+]1 ZINC001540080394 1070759196 /nfs/dbraw/zinc/75/91/96/1070759196.db2.gz IWCBPWLHBKRIRX-UHFFFAOYSA-N 1 2 363.469 2.783 20 30 FFEDLO N#Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)cc1F ZINC001324951944 1046306024 /nfs/dbraw/zinc/30/60/24/1046306024.db2.gz ZWDZGVXBQYYKCU-LJQANCHMSA-N 1 2 352.413 2.763 20 30 FFEDLO N#Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)cc1F ZINC001324951944 1046306035 /nfs/dbraw/zinc/30/60/35/1046306035.db2.gz ZWDZGVXBQYYKCU-LJQANCHMSA-N 1 2 352.413 2.763 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCCC1 ZINC001283865952 1046443519 /nfs/dbraw/zinc/44/35/19/1046443519.db2.gz ZYZOQLOCCSGFDB-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCCC1 ZINC001283865952 1046443521 /nfs/dbraw/zinc/44/35/21/1046443521.db2.gz ZYZOQLOCCSGFDB-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO O=C(C#Cc1cccs1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001540316089 1070839143 /nfs/dbraw/zinc/83/91/43/1070839143.db2.gz JNKZFQIOIFLMSR-UHFFFAOYSA-N 1 2 374.893 2.976 20 30 FFEDLO C#CCN(CC#C)c1nnc(C(C)C)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001286398306 1047098965 /nfs/dbraw/zinc/09/89/65/1047098965.db2.gz WAITVPJBBCGMEN-UHFFFAOYSA-N 1 2 358.449 2.708 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C)n2CCOc2ccccc2C(C)C)CC1 ZINC001286471985 1047121446 /nfs/dbraw/zinc/12/14/46/1047121446.db2.gz CAOCSMKTGMBPSA-UHFFFAOYSA-N 1 2 367.497 2.544 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001289314476 1047627382 /nfs/dbraw/zinc/62/73/82/1047627382.db2.gz YGZDTCSRDWSCHG-KURKYZTESA-N 1 2 360.502 2.790 20 30 FFEDLO COc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(F)cc1C#N ZINC001331462374 1047950837 /nfs/dbraw/zinc/95/08/37/1047950837.db2.gz NNBXHCFALVLBOG-IBGZPJMESA-N 1 2 369.396 2.545 20 30 FFEDLO COc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(F)cc1C#N ZINC001331462374 1047950848 /nfs/dbraw/zinc/95/08/48/1047950848.db2.gz NNBXHCFALVLBOG-IBGZPJMESA-N 1 2 369.396 2.545 20 30 FFEDLO CC(C)C[C@H](C(=O)N1CCN(c2cccc(F)c2C#N)CC1)n1cc[nH+]c1 ZINC001290465548 1048146238 /nfs/dbraw/zinc/14/62/38/1048146238.db2.gz LLBFNCHNKVUJOA-LJQANCHMSA-N 1 2 369.444 2.830 20 30 FFEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(CC#N)cc1 ZINC001332079126 1048237518 /nfs/dbraw/zinc/23/75/18/1048237518.db2.gz OCYIWEKFHCHLBC-UHFFFAOYSA-N 1 2 359.451 2.770 20 30 FFEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001333577171 1048986897 /nfs/dbraw/zinc/98/68/97/1048986897.db2.gz QSQXLKNFRXEPRI-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001333577171 1048986912 /nfs/dbraw/zinc/98/69/12/1048986912.db2.gz QSQXLKNFRXEPRI-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)NC1CC2(C1)CC(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001292431400 1049343210 /nfs/dbraw/zinc/34/32/10/1049343210.db2.gz RTFKDRUEZOTLCJ-FFUPWRQXSA-N 1 2 370.497 2.659 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)NC1CC2(C1)CC(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001292431400 1049343223 /nfs/dbraw/zinc/34/32/23/1049343223.db2.gz RTFKDRUEZOTLCJ-FFUPWRQXSA-N 1 2 370.497 2.659 20 30 FFEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCOCC1 ZINC001341901905 1050501810 /nfs/dbraw/zinc/50/18/10/1050501810.db2.gz FNPFLXMKZSLYKN-QGZVFWFLSA-N 1 2 355.486 2.884 20 30 FFEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCOCC1 ZINC001341901905 1050501825 /nfs/dbraw/zinc/50/18/25/1050501825.db2.gz FNPFLXMKZSLYKN-QGZVFWFLSA-N 1 2 355.486 2.884 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC(c2ccn(C)n2)CC1 ZINC001341906608 1050505186 /nfs/dbraw/zinc/50/51/86/1050505186.db2.gz DBGYTVBUKHNDLV-GOSISDBHSA-N 1 2 369.517 2.738 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC(c2ccn(C)n2)CC1 ZINC001341906608 1050505199 /nfs/dbraw/zinc/50/51/99/1050505199.db2.gz DBGYTVBUKHNDLV-GOSISDBHSA-N 1 2 369.517 2.738 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(Cc1cccc(F)c1)C(C)C ZINC001342061447 1050658512 /nfs/dbraw/zinc/65/85/12/1050658512.db2.gz HPWWJMMPQKJPQQ-MSOLQXFVSA-N 1 2 373.476 2.756 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(Cc1cccc(F)c1)C(C)C ZINC001342061447 1050658514 /nfs/dbraw/zinc/65/85/14/1050658514.db2.gz HPWWJMMPQKJPQQ-MSOLQXFVSA-N 1 2 373.476 2.756 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001340258412 1050664784 /nfs/dbraw/zinc/66/47/84/1050664784.db2.gz JFCGKPWSVYYDEI-STEAMIEHSA-N 1 2 365.481 2.640 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001340258412 1050664788 /nfs/dbraw/zinc/66/47/88/1050664788.db2.gz JFCGKPWSVYYDEI-STEAMIEHSA-N 1 2 365.481 2.640 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@H]1c1ccsc1 ZINC001340259343 1050666100 /nfs/dbraw/zinc/66/61/00/1050666100.db2.gz VFHTZJSWGQBSLU-PMPSAXMXSA-N 1 2 359.499 2.605 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@H]1c1ccsc1 ZINC001340259343 1050666107 /nfs/dbraw/zinc/66/61/07/1050666107.db2.gz VFHTZJSWGQBSLU-PMPSAXMXSA-N 1 2 359.499 2.605 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)cc1C#N ZINC001340288480 1050691556 /nfs/dbraw/zinc/69/15/56/1050691556.db2.gz NDILARPMLBJDMI-CQSZACIVSA-N 1 2 368.462 2.514 20 30 FFEDLO C=CCn1c(CCCCC)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001340420697 1050816277 /nfs/dbraw/zinc/81/62/77/1050816277.db2.gz DGFJEWGGBOGXJW-UHFFFAOYSA-N 1 2 358.490 2.815 20 30 FFEDLO CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001340442367 1050836285 /nfs/dbraw/zinc/83/62/85/1050836285.db2.gz MWUZPGGHPGVVKB-GOSISDBHSA-N 1 2 368.485 2.588 20 30 FFEDLO CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001340442367 1050836300 /nfs/dbraw/zinc/83/63/00/1050836300.db2.gz MWUZPGGHPGVVKB-GOSISDBHSA-N 1 2 368.485 2.588 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC[N@@H+]2C)n1CCOC ZINC001342348504 1050943393 /nfs/dbraw/zinc/94/33/93/1050943393.db2.gz NMJUDHWTGMDYRD-SFHVURJKSA-N 1 2 355.486 2.884 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC[N@H+]2C)n1CCOC ZINC001342348504 1050943402 /nfs/dbraw/zinc/94/34/02/1050943402.db2.gz NMJUDHWTGMDYRD-SFHVURJKSA-N 1 2 355.486 2.884 20 30 FFEDLO C=CCn1c(N2CCCC3(CCCCC3)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001340560595 1050947975 /nfs/dbraw/zinc/94/79/75/1050947975.db2.gz ZHDVHTNPSGBVSE-FXAWDEMLSA-N 1 2 373.545 2.926 20 30 FFEDLO C=CCn1c(N2CCCC3(CCCCC3)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001340560595 1050947982 /nfs/dbraw/zinc/94/79/82/1050947982.db2.gz ZHDVHTNPSGBVSE-FXAWDEMLSA-N 1 2 373.545 2.926 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC001340784578 1051132398 /nfs/dbraw/zinc/13/23/98/1051132398.db2.gz SPVAYHRPFHTQTA-HUUCEWRRSA-N 1 2 362.499 2.781 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC001340784578 1051132403 /nfs/dbraw/zinc/13/24/03/1051132403.db2.gz SPVAYHRPFHTQTA-HUUCEWRRSA-N 1 2 362.499 2.781 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](Cc2nnc3n2CCCC3)[C@@H]1CC ZINC001316732240 1051567056 /nfs/dbraw/zinc/56/70/56/1051567056.db2.gz GPFRJNBBYQSWIZ-ZWKOTPCHSA-N 1 2 371.529 2.852 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](Cc2nnc3n2CCCC3)[C@@H]1CC ZINC001316732240 1051567069 /nfs/dbraw/zinc/56/70/69/1051567069.db2.gz GPFRJNBBYQSWIZ-ZWKOTPCHSA-N 1 2 371.529 2.852 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)CC(F)(F)F ZINC001342999647 1051615317 /nfs/dbraw/zinc/61/53/17/1051615317.db2.gz OCKDFPHVOIZTJX-KBPBESRZSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)CC(F)(F)F ZINC001342999647 1051615323 /nfs/dbraw/zinc/61/53/23/1051615323.db2.gz OCKDFPHVOIZTJX-KBPBESRZSA-N 1 2 373.423 2.779 20 30 FFEDLO C#CCOCC[N@@H+](C)Cc1nnc(-c2ccccc2Br)o1 ZINC001341258116 1051617418 /nfs/dbraw/zinc/61/74/18/1051617418.db2.gz PHJJVYCDKHEBKL-UHFFFAOYSA-N 1 2 350.216 2.581 20 30 FFEDLO C#CCOCC[N@H+](C)Cc1nnc(-c2ccccc2Br)o1 ZINC001341258116 1051617422 /nfs/dbraw/zinc/61/74/22/1051617422.db2.gz PHJJVYCDKHEBKL-UHFFFAOYSA-N 1 2 350.216 2.581 20 30 FFEDLO COCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCCC[C@@H](C)C1 ZINC001343217401 1052072284 /nfs/dbraw/zinc/07/22/84/1052072284.db2.gz OWLUSPISQJRJQJ-QGZVFWFLSA-N 1 2 374.533 2.644 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3Cl)n2CC(=C)C)CC1 ZINC001343470137 1052251698 /nfs/dbraw/zinc/25/16/98/1052251698.db2.gz KLGYXAPCRKNIQI-UHFFFAOYSA-N 1 2 369.900 2.854 20 30 FFEDLO Cc1cc(F)ncc1C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001345982039 1052694797 /nfs/dbraw/zinc/69/47/97/1052694797.db2.gz NSSWGAWEZCXSBQ-UHFFFAOYSA-N 1 2 374.437 2.631 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCO[C@](C)(C(F)(F)F)C1 ZINC001346187978 1052781681 /nfs/dbraw/zinc/78/16/81/1052781681.db2.gz NFACGMKKOBLPDT-CJNGLKHVSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCO[C@](C)(C(F)(F)F)C1 ZINC001346187978 1052781683 /nfs/dbraw/zinc/78/16/83/1052781683.db2.gz NFACGMKKOBLPDT-CJNGLKHVSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001346912060 1053435309 /nfs/dbraw/zinc/43/53/09/1053435309.db2.gz KGVVKNNMQKYKCP-OWSLCNJRSA-N 1 2 358.486 2.685 20 30 FFEDLO CCN(CC)c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@@H]1CCCCO1 ZINC001347053606 1053575492 /nfs/dbraw/zinc/57/54/92/1053575492.db2.gz CPHZPENTFPTVEE-SFHVURJKSA-N 1 2 374.533 2.786 20 30 FFEDLO COc1cc(C#N)ccc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001338036319 1055185643 /nfs/dbraw/zinc/18/56/43/1055185643.db2.gz AJONPCNMENUAPP-OAHLLOKOSA-N 1 2 353.426 2.787 20 30 FFEDLO C#C[C@H]1CCCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2Cc2cc(C)on2)C1 ZINC001352105255 1055194785 /nfs/dbraw/zinc/19/47/85/1055194785.db2.gz SQBYDFLUXRTFMJ-WMZOPIPTSA-N 1 2 368.485 2.629 20 30 FFEDLO C#C[C@H]1CCCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2Cc2cc(C)on2)C1 ZINC001352105255 1055194789 /nfs/dbraw/zinc/19/47/89/1055194789.db2.gz SQBYDFLUXRTFMJ-WMZOPIPTSA-N 1 2 368.485 2.629 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@H](C)O[C@@H](CC)C1 ZINC001356082298 1055273153 /nfs/dbraw/zinc/27/31/53/1055273153.db2.gz AMIPLALYFZYGEO-WMZOPIPTSA-N 1 2 372.517 2.561 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001338196444 1055310694 /nfs/dbraw/zinc/31/06/94/1055310694.db2.gz HBVVKNLZCYGZQD-YVTWGWGSSA-N 1 2 356.470 2.509 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001338196444 1055310712 /nfs/dbraw/zinc/31/07/12/1055310712.db2.gz HBVVKNLZCYGZQD-YVTWGWGSSA-N 1 2 356.470 2.509 20 30 FFEDLO C=C(C)Cn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1C(C)(C)O ZINC001356304996 1055444364 /nfs/dbraw/zinc/44/43/64/1055444364.db2.gz NIJFTLZBTJBAIL-UHFFFAOYSA-N 1 2 356.474 2.558 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001356378587 1055479345 /nfs/dbraw/zinc/47/93/45/1055479345.db2.gz NDJHOLJLAQBALU-LJQANCHMSA-N 1 2 355.490 2.521 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001338895257 1055912460 /nfs/dbraw/zinc/91/24/60/1055912460.db2.gz GMVSILCPNCYDMW-IHRRRGAJSA-N 1 2 373.423 2.777 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001338895257 1055912468 /nfs/dbraw/zinc/91/24/68/1055912468.db2.gz GMVSILCPNCYDMW-IHRRRGAJSA-N 1 2 373.423 2.777 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(OCC)CC1 ZINC001338995317 1055999449 /nfs/dbraw/zinc/99/94/49/1055999449.db2.gz ODFBTKIYSLXJEA-UHFFFAOYSA-N 1 2 372.517 2.562 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001358867414 1056519585 /nfs/dbraw/zinc/51/95/85/1056519585.db2.gz NPUMKNRAWNNAOH-ZHCJQAHYSA-N 1 2 370.497 2.611 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001358867414 1056519596 /nfs/dbraw/zinc/51/95/96/1056519596.db2.gz NPUMKNRAWNNAOH-ZHCJQAHYSA-N 1 2 370.497 2.611 20 30 FFEDLO C#CCN(CC#C)c1nnc(C2CCC2)n1CCc1cn2ccccc2[nH+]1 ZINC001358977701 1056628489 /nfs/dbraw/zinc/62/84/89/1056628489.db2.gz TXVIXGTUQXRDJL-UHFFFAOYSA-N 1 2 358.449 2.509 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCCCS2)CC1 ZINC001359028896 1056665252 /nfs/dbraw/zinc/66/52/52/1056665252.db2.gz IISQNJSJJGGWEJ-SJORKVTESA-N 1 2 361.559 2.833 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)C)CCC1 ZINC001500945533 1058611479 /nfs/dbraw/zinc/61/14/79/1058611479.db2.gz QSCBOOUHBGHPOZ-BZUAXINKSA-N 1 2 358.486 2.517 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)C)CCC1 ZINC001500945533 1058611491 /nfs/dbraw/zinc/61/14/91/1058611491.db2.gz QSCBOOUHBGHPOZ-BZUAXINKSA-N 1 2 358.486 2.517 20 30 FFEDLO C=CCO[C@H]1CCN(c2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)C1 ZINC001354359270 1058899053 /nfs/dbraw/zinc/89/90/53/1058899053.db2.gz SDSHHPXZEWMFAP-IBGZPJMESA-N 1 2 367.497 2.704 20 30 FFEDLO Cc1cccc(CN(C)c2nnc(C3CC[NH+](CCC#N)CC3)n2C)c1 ZINC001519710210 1058983007 /nfs/dbraw/zinc/98/30/07/1058983007.db2.gz ZUBFJDKWTLIBEO-UHFFFAOYSA-N 1 2 352.486 2.853 20 30 FFEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCO[C@H]1CC ZINC001505438495 1059396825 /nfs/dbraw/zinc/39/68/25/1059396825.db2.gz IITCTGWJTLQTSW-KFWWJZLASA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCO[C@H]1CC ZINC001505438495 1059396847 /nfs/dbraw/zinc/39/68/47/1059396847.db2.gz IITCTGWJTLQTSW-KFWWJZLASA-N 1 2 359.308 2.633 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2Cc2ccc(F)cc2F)CC1 ZINC001507729260 1059702847 /nfs/dbraw/zinc/70/28/47/1059702847.db2.gz GHULZXXZYVSNGP-UHFFFAOYSA-N 1 2 373.451 2.558 20 30 FFEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCCOCC1 ZINC001520497018 1059735068 /nfs/dbraw/zinc/73/50/68/1059735068.db2.gz LITCBIFZMNLJQI-KRWDZBQOSA-N 1 2 355.486 2.884 20 30 FFEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCCOCC1 ZINC001520497018 1059735090 /nfs/dbraw/zinc/73/50/90/1059735090.db2.gz LITCBIFZMNLJQI-KRWDZBQOSA-N 1 2 355.486 2.884 20 30 FFEDLO C=CCN(CCOC)c1nnc(C)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001508036401 1059797612 /nfs/dbraw/zinc/79/76/12/1059797612.db2.gz OFNJOKPXOFDDHZ-UHFFFAOYSA-N 1 2 366.469 2.518 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2CCC(C)C)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001520568680 1059811223 /nfs/dbraw/zinc/81/12/23/1059811223.db2.gz YXIRVDLBGFATEG-HLIPFELVSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2CCC(C)C)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001520568680 1059811243 /nfs/dbraw/zinc/81/12/43/1059811243.db2.gz YXIRVDLBGFATEG-HLIPFELVSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCC1(C(=O)N2CC([C@@H](C)NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCC1 ZINC001509452080 1060081501 /nfs/dbraw/zinc/08/15/01/1060081501.db2.gz HIKRUZZPZKRZOY-DJIMGWMZSA-N 1 2 370.497 2.613 20 30 FFEDLO C=CCC1(C(=O)N2CC([C@@H](C)NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCC1 ZINC001509452080 1060081519 /nfs/dbraw/zinc/08/15/19/1060081519.db2.gz HIKRUZZPZKRZOY-DJIMGWMZSA-N 1 2 370.497 2.613 20 30 FFEDLO Cc1ccc2[nH+]c(CSCC(=O)NCC#C[C@@H]3CCCCO3)cn2c1 ZINC001457034370 1060257806 /nfs/dbraw/zinc/25/78/06/1060257806.db2.gz VDRWACCHTHMNQW-KRWDZBQOSA-N 1 2 357.479 2.565 20 30 FFEDLO Cn1c([C@H]2CCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001355564356 1060365683 /nfs/dbraw/zinc/36/56/83/1060365683.db2.gz DDXSWBRTUNJRDE-QZTJIDSGSA-N 1 2 350.470 2.892 20 30 FFEDLO Cn1c([C@H]2CCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001355564356 1060365696 /nfs/dbraw/zinc/36/56/96/1060365696.db2.gz DDXSWBRTUNJRDE-QZTJIDSGSA-N 1 2 350.470 2.892 20 30 FFEDLO C=CCO[C@H]1CCN(c2nnc(CC)n2CCCNc2cccc[nH+]2)C1 ZINC001359321300 1060944392 /nfs/dbraw/zinc/94/43/92/1060944392.db2.gz DLLJMEMIRZNVMQ-INIZCTEOSA-N 1 2 356.474 2.519 20 30 FFEDLO COC(=O)c1c[nH]c(C[NH+]2CCN(c3ccccc3C#N)CC2)c1C1CC1 ZINC001462042788 1061486294 /nfs/dbraw/zinc/48/62/94/1061486294.db2.gz GASGUPITMQENQC-UHFFFAOYSA-N 1 2 364.449 2.873 20 30 FFEDLO N#Cc1c(F)cccc1CN1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001462420599 1061614825 /nfs/dbraw/zinc/61/48/25/1061614825.db2.gz HHSDKIMHONDMOI-LEWJYISDSA-N 1 2 351.425 2.783 20 30 FFEDLO N#Cc1c(F)cccc1CN1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001462420599 1061614827 /nfs/dbraw/zinc/61/48/27/1061614827.db2.gz HHSDKIMHONDMOI-LEWJYISDSA-N 1 2 351.425 2.783 20 30 FFEDLO Cc1c[nH+]c2cc(C(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)ccn12 ZINC001522168414 1061658269 /nfs/dbraw/zinc/65/82/69/1061658269.db2.gz QVKUFYJOFYZCNV-UHFFFAOYSA-N 1 2 370.416 2.845 20 30 FFEDLO CC(C)Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNc1cccc[nH+]1 ZINC001359811188 1061782218 /nfs/dbraw/zinc/78/22/18/1061782218.db2.gz GOAKMPWNSVJRLE-LJQANCHMSA-N 1 2 371.464 2.816 20 30 FFEDLO N#CC[C@H](C(=O)N1CC[NH+](CCOc2ccccc2)CC1)c1ccccc1 ZINC001463609261 1062179017 /nfs/dbraw/zinc/17/90/17/1062179017.db2.gz FCLICEQVHMUAPP-NRFANRHFSA-N 1 2 363.461 2.907 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)/C(C)=C/CC)[C@H]2C)c1 ZINC001479700837 1062830637 /nfs/dbraw/zinc/83/06/37/1062830637.db2.gz XOXNYSFRVHSQGM-ODQMNCGBSA-N 1 2 353.466 2.542 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)/C(C)=C/CC)[C@H]2C)c1 ZINC001479700837 1062830662 /nfs/dbraw/zinc/83/06/62/1062830662.db2.gz XOXNYSFRVHSQGM-ODQMNCGBSA-N 1 2 353.466 2.542 20 30 FFEDLO N#CC1(CC(=O)N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)CCCCC1 ZINC001437627805 1062889242 /nfs/dbraw/zinc/88/92/42/1062889242.db2.gz IKAQULZAANHUKG-VQTJNVASSA-N 1 2 367.493 2.962 20 30 FFEDLO N#CC1(CC(=O)N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)CCCCC1 ZINC001437627805 1062889257 /nfs/dbraw/zinc/88/92/57/1062889257.db2.gz IKAQULZAANHUKG-VQTJNVASSA-N 1 2 367.493 2.962 20 30 FFEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC001494099682 1063288651 /nfs/dbraw/zinc/28/86/51/1063288651.db2.gz QUJCVNNNRGLLNJ-OKZBNKHCSA-N 1 2 353.938 2.641 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001574676153 1078056516 /nfs/dbraw/zinc/05/65/16/1078056516.db2.gz KEEIFZUDCIBYQP-KKSFZXQISA-N 1 2 366.465 2.802 20 30 FFEDLO N#Cc1ccccc1OCC(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001470634826 1064390564 /nfs/dbraw/zinc/39/05/64/1064390564.db2.gz SETVZSAFJUGQQY-KRWDZBQOSA-N 1 2 355.825 2.764 20 30 FFEDLO C#CC[N@H+](Cc1ccccc1)[C@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC001473454028 1065267243 /nfs/dbraw/zinc/26/72/43/1065267243.db2.gz MWQVYEVDAKECRM-KRWDZBQOSA-N 1 2 368.458 2.775 20 30 FFEDLO C#CC[N@@H+](Cc1ccccc1)[C@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC001473454028 1065267253 /nfs/dbraw/zinc/26/72/53/1065267253.db2.gz MWQVYEVDAKECRM-KRWDZBQOSA-N 1 2 368.458 2.775 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001473834122 1065383772 /nfs/dbraw/zinc/38/37/72/1065383772.db2.gz PHNNJYSJKNSHJE-QWHCGFSZSA-N 1 2 367.478 2.715 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](c2ncccn2)C1 ZINC001473834122 1065383782 /nfs/dbraw/zinc/38/37/82/1065383782.db2.gz PHNNJYSJKNSHJE-QWHCGFSZSA-N 1 2 367.478 2.715 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001582350698 1079041435 /nfs/dbraw/zinc/04/14/35/1079041435.db2.gz CNFVFRFQIAWPND-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001582350698 1079041439 /nfs/dbraw/zinc/04/14/39/1079041439.db2.gz CNFVFRFQIAWPND-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(c3cc(F)ccc3C#N)CC2)C1 ZINC001559206084 1076134654 /nfs/dbraw/zinc/13/46/54/1076134654.db2.gz PTRJPPOZOBUPQK-KRWDZBQOSA-N 1 2 374.460 2.829 20 30 FFEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1cc(Br)c(C#N)cc1F ZINC001559233486 1076137774 /nfs/dbraw/zinc/13/77/74/1076137774.db2.gz VLLGDYLAXFKXSG-MNOVXSKESA-N 1 2 356.239 2.981 20 30 FFEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1cc(Br)c(C#N)cc1F ZINC001559233486 1076137776 /nfs/dbraw/zinc/13/77/76/1076137776.db2.gz VLLGDYLAXFKXSG-MNOVXSKESA-N 1 2 356.239 2.981 20 30 FFEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1cc(Br)c(C#N)cc1F ZINC001559283378 1076145499 /nfs/dbraw/zinc/14/54/99/1076145499.db2.gz GOYHIINFUFFVHN-LBPRGKRZSA-N 1 2 356.239 2.983 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)NCc2coc(C[NH+](C)C)n2)cc1C#N ZINC001562522165 1076501492 /nfs/dbraw/zinc/50/14/92/1076501492.db2.gz QZNGTVBGLLWGJU-UHFFFAOYSA-N 1 2 357.414 2.717 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@H+](Cc4ncnn4CCC)CC[C@@H]3C2)CCC1 ZINC001566049748 1076878258 /nfs/dbraw/zinc/87/82/58/1076878258.db2.gz PVIRKMUPXOINBX-MSOLQXFVSA-N 1 2 371.529 2.715 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ncnn4CCC)CC[C@@H]3C2)CCC1 ZINC001566049748 1076878262 /nfs/dbraw/zinc/87/82/62/1076878262.db2.gz PVIRKMUPXOINBX-MSOLQXFVSA-N 1 2 371.529 2.715 20 30 FFEDLO C=CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C(=O)OCC ZINC001567457256 1077029433 /nfs/dbraw/zinc/02/94/33/1077029433.db2.gz UYBCRCJCUSTHLN-SJORKVTESA-N 1 2 364.873 2.928 20 30 FFEDLO C=CC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C(=O)OCC ZINC001567457256 1077029438 /nfs/dbraw/zinc/02/94/38/1077029438.db2.gz UYBCRCJCUSTHLN-SJORKVTESA-N 1 2 364.873 2.928 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)[C@@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001567687587 1077044534 /nfs/dbraw/zinc/04/45/34/1077044534.db2.gz BNEIILRVGAPXTH-KURKYZTESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)[C@@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001567687587 1077044539 /nfs/dbraw/zinc/04/45/39/1077044539.db2.gz BNEIILRVGAPXTH-KURKYZTESA-N 1 2 363.527 2.856 20 30 FFEDLO CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C1=O ZINC001568440371 1077092034 /nfs/dbraw/zinc/09/20/34/1077092034.db2.gz SYWWDGZWTZPDPI-KUHUBIRLSA-N 1 2 366.506 2.561 20 30 FFEDLO CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)C1=O ZINC001568440371 1077092038 /nfs/dbraw/zinc/09/20/38/1077092038.db2.gz SYWWDGZWTZPDPI-KUHUBIRLSA-N 1 2 366.506 2.561 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001572780282 1077366961 /nfs/dbraw/zinc/36/69/61/1077366961.db2.gz AQWRTAJTAGXUDO-KBXCAEBGSA-N 1 2 352.438 2.592 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001573231860 1077615167 /nfs/dbraw/zinc/61/51/67/1077615167.db2.gz AJSBCTKTOLHESE-RYRKJORJSA-N 1 2 360.502 2.688 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001573231860 1077615168 /nfs/dbraw/zinc/61/51/68/1077615168.db2.gz AJSBCTKTOLHESE-RYRKJORJSA-N 1 2 360.502 2.688 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001574282662 1077947520 /nfs/dbraw/zinc/94/75/20/1077947520.db2.gz BTAZQRADAIZTPE-RANZSIQMSA-N 1 2 372.513 2.777 20 30 FFEDLO C=CCCC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C3)CC1 ZINC001574460010 1077994002 /nfs/dbraw/zinc/99/40/02/1077994002.db2.gz JVBDSRQLJCSDJD-MLHJIOFPSA-N 1 2 370.497 2.829 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001574574715 1078023153 /nfs/dbraw/zinc/02/31/53/1078023153.db2.gz JPNDLHZRPHCZHO-KURKYZTESA-N 1 2 366.465 2.861 20 30 FFEDLO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001586126271 1079553761 /nfs/dbraw/zinc/55/37/61/1079553761.db2.gz VZYJCMXQSGSUIR-QGZVFWFLSA-N 1 2 368.820 2.593 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3([C@@H]4CCCCO4)CCC3)CC2)cc1 ZINC001586913533 1079704849 /nfs/dbraw/zinc/70/48/49/1079704849.db2.gz KODWSIARXSGRAB-FQEVSTJZSA-N 1 2 367.493 2.942 20 30 FFEDLO N#Cc1ccc(CN2CCC[C@@H]2C[NH+]2CCOCC2)c(Br)c1 ZINC000181121726 251244276 /nfs/dbraw/zinc/24/42/76/251244276.db2.gz YHYGLLRFLKVABW-MRXNPFEDSA-N 1 2 364.287 2.617 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278406862 256308973 /nfs/dbraw/zinc/30/89/73/256308973.db2.gz XFXDJCMOZRZXOC-CQSZACIVSA-N 1 2 368.412 2.963 20 30 FFEDLO N#Cc1ccc(N2CC[C@H](C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2)c(F)c1 ZINC000285981387 257014541 /nfs/dbraw/zinc/01/45/41/257014541.db2.gz CADIHDJIYMJCMB-CVEARBPZSA-N 1 2 367.428 2.653 20 30 FFEDLO N#Cc1ccc(N2CC[C@H](C(=O)N3CCC(n4cc[nH+]c4)CC3)C2)c(F)c1 ZINC000286727745 257051951 /nfs/dbraw/zinc/05/19/51/257051951.db2.gz DNKKJGRVSSMKKH-INIZCTEOSA-N 1 2 367.428 2.584 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1C#N ZINC000287171599 257075507 /nfs/dbraw/zinc/07/55/07/257075507.db2.gz QYDZAVJLPQUICS-MAUKXSAKSA-N 1 2 372.469 2.672 20 30 FFEDLO Cc1[nH+]c2ccccc2n1C1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000287223877 257078235 /nfs/dbraw/zinc/07/82/35/257078235.db2.gz GBESFUHDUZDRTG-UHFFFAOYSA-N 1 2 370.434 2.835 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3snnc3C3CC3)CC2)cc1 ZINC000289603773 257289483 /nfs/dbraw/zinc/28/94/83/257289483.db2.gz TUWKLWKOEWRQSQ-UHFFFAOYSA-N 1 2 367.478 2.635 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3snnc3C3CC3)CC2)cc1 ZINC000289603773 257289484 /nfs/dbraw/zinc/28/94/84/257289484.db2.gz TUWKLWKOEWRQSQ-UHFFFAOYSA-N 1 2 367.478 2.635 20 30 FFEDLO Cc1ccc(-c2noc(C[NH+]3CCN(c4cccc(C#N)n4)CC3)n2)cc1 ZINC000301294621 258040763 /nfs/dbraw/zinc/04/07/63/258040763.db2.gz WVANNNBAHDSVJX-UHFFFAOYSA-N 1 2 360.421 2.634 20 30 FFEDLO Cc1cc(C)c2ncc(C#N)c(N3CCN(Cc4[nH+]ccn4C)CC3)c2c1 ZINC000301383786 258046112 /nfs/dbraw/zinc/04/61/12/258046112.db2.gz BIUDCSOQZWNLSL-UHFFFAOYSA-N 1 2 360.465 2.779 20 30 FFEDLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000326653483 258116135 /nfs/dbraw/zinc/11/61/35/258116135.db2.gz YQSCLKFVFIQJRB-AWEZNQCLSA-N 1 2 360.401 2.995 20 30 FFEDLO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000326653483 258116136 /nfs/dbraw/zinc/11/61/36/258116136.db2.gz YQSCLKFVFIQJRB-AWEZNQCLSA-N 1 2 360.401 2.995 20 30 FFEDLO C[C@@H]1CCCC[C@H]1OCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000332015156 258210255 /nfs/dbraw/zinc/21/02/55/258210255.db2.gz OYEOWNIVWVPIAZ-YLJYHZDGSA-N 1 2 355.482 2.798 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c1C#N ZINC000331621171 258193792 /nfs/dbraw/zinc/19/37/92/258193792.db2.gz ORVGFPXDJOWFDJ-FZKQIMNGSA-N 1 2 358.486 2.733 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@H](O)[C@H](C)C2)c1C#N ZINC000331621171 258193793 /nfs/dbraw/zinc/19/37/93/258193793.db2.gz ORVGFPXDJOWFDJ-FZKQIMNGSA-N 1 2 358.486 2.733 20 30 FFEDLO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000110306230 132246460 /nfs/dbraw/zinc/24/64/60/132246460.db2.gz XOWCFVSWDUWBPU-WMZOPIPTSA-N 1 2 372.488 2.999 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[S@@](=O)CC[C@H]2C)cc1OCCCC#N ZINC000373032945 512141381 /nfs/dbraw/zinc/14/13/81/512141381.db2.gz BGXSWUQRSORZGJ-MYYSRTQBSA-N 1 2 350.484 2.721 20 30 FFEDLO COc1ccc(C[N@H+]2CC[S@@](=O)CC[C@H]2C)cc1OCCCC#N ZINC000373032945 512141387 /nfs/dbraw/zinc/14/13/87/512141387.db2.gz BGXSWUQRSORZGJ-MYYSRTQBSA-N 1 2 350.484 2.721 20 30 FFEDLO N#Cc1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000032533809 506261876 /nfs/dbraw/zinc/26/18/76/506261876.db2.gz RZQBHHRKCHNFBK-QGZVFWFLSA-N 1 2 352.394 2.779 20 30 FFEDLO N#Cc1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000032533809 506261882 /nfs/dbraw/zinc/26/18/82/506261882.db2.gz RZQBHHRKCHNFBK-QGZVFWFLSA-N 1 2 352.394 2.779 20 30 FFEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c(-c2cccnc2)n1 ZINC000377249961 512185933 /nfs/dbraw/zinc/18/59/33/512185933.db2.gz MDMCRGOFXNQWKY-HXUWFJFHSA-N 1 2 359.433 2.927 20 30 FFEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c(-c2cccnc2)n1 ZINC000377249961 512185938 /nfs/dbraw/zinc/18/59/38/512185938.db2.gz MDMCRGOFXNQWKY-HXUWFJFHSA-N 1 2 359.433 2.927 20 30 FFEDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H](C)O2 ZINC000366783584 512185338 /nfs/dbraw/zinc/18/53/38/512185338.db2.gz CIHFXCAFAPIGQV-OPYAIIAOSA-N 1 2 371.481 2.592 20 30 FFEDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H](C)O2 ZINC000366783584 512185343 /nfs/dbraw/zinc/18/53/43/512185343.db2.gz CIHFXCAFAPIGQV-OPYAIIAOSA-N 1 2 371.481 2.592 20 30 FFEDLO Cc1nc2ccccc2n1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000041946214 506572393 /nfs/dbraw/zinc/57/23/93/506572393.db2.gz YEFRPHQGMFZEKL-UHFFFAOYSA-N 1 2 373.460 2.561 20 30 FFEDLO N#Cc1ccccc1OCc1ccc(C(=O)NCCCn2cc[nH+]c2)o1 ZINC000054852407 506636912 /nfs/dbraw/zinc/63/69/12/506636912.db2.gz IBPJKPCDJARGCE-UHFFFAOYSA-N 1 2 350.378 2.747 20 30 FFEDLO N#Cc1cccc(C[NH+]2CCN(CC(=O)N3CCCc4ccccc43)CC2)c1 ZINC000066884655 506681330 /nfs/dbraw/zinc/68/13/30/506681330.db2.gz XUFSPTZUGWBNAO-UHFFFAOYSA-N 1 2 374.488 2.655 20 30 FFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000043160785 506711071 /nfs/dbraw/zinc/71/10/71/506711071.db2.gz AHNGODLOSDZKEZ-UHFFFAOYSA-N 1 2 358.486 2.591 20 30 FFEDLO N#Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000045029153 506908222 /nfs/dbraw/zinc/90/82/22/506908222.db2.gz FPLRTBARJCHKHT-LJQANCHMSA-N 1 2 350.422 2.581 20 30 FFEDLO N#Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000045029153 506908226 /nfs/dbraw/zinc/90/82/26/506908226.db2.gz FPLRTBARJCHKHT-LJQANCHMSA-N 1 2 350.422 2.581 20 30 FFEDLO C=C(Br)CN1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377528112 512312633 /nfs/dbraw/zinc/31/26/33/512312633.db2.gz NBAQBVBQUDMHPX-CQSZACIVSA-N 1 2 374.323 2.522 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(C#N)(c4ccccn4)CC3)C2=O)cc1 ZINC000367057186 512317084 /nfs/dbraw/zinc/31/70/84/512317084.db2.gz GYQUDYGJEFLAGU-LJQANCHMSA-N 1 2 371.444 2.616 20 30 FFEDLO N#CCSCC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000046315641 507115842 /nfs/dbraw/zinc/11/58/42/507115842.db2.gz DDGDCFKBSNKOTG-UHFFFAOYSA-N 1 2 352.463 2.517 20 30 FFEDLO Cc1cccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1[N+](=O)[O-] ZINC000017842915 507129928 /nfs/dbraw/zinc/12/99/28/507129928.db2.gz OGEVEHJCZCFWKZ-UHFFFAOYSA-N 1 2 364.405 2.733 20 30 FFEDLO Cc1[nH]c2ccc(NC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)cc2[nH+]1 ZINC000046455787 507139000 /nfs/dbraw/zinc/13/90/00/507139000.db2.gz NSPQHHZSEXFVFE-UHFFFAOYSA-N 1 2 373.420 2.974 20 30 FFEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)CCCCC1 ZINC000057384606 507251795 /nfs/dbraw/zinc/25/17/95/507251795.db2.gz DGPDWFVRXMCZBT-UHFFFAOYSA-N 1 2 369.465 2.576 20 30 FFEDLO N#Cc1cccc(OCCCCC(=O)N2CC[NH2+][C@H](c3ccncc3)C2)c1 ZINC000367084224 512330800 /nfs/dbraw/zinc/33/08/00/512330800.db2.gz MAKDTLPZOOZFHD-FQEVSTJZSA-N 1 2 364.449 2.675 20 30 FFEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCN(c4ccccc4)C3=O)CC2)c(F)c1 ZINC000068819503 507333179 /nfs/dbraw/zinc/33/31/79/507333179.db2.gz KLEUUXZDXCUTIS-HXUWFJFHSA-N 1 2 364.424 2.625 20 30 FFEDLO C[C@H](Oc1ccccc1F)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000024478612 507414504 /nfs/dbraw/zinc/41/45/04/507414504.db2.gz OOKDMGMBDNUZDR-INIZCTEOSA-N 1 2 367.424 2.809 20 30 FFEDLO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)no1 ZINC000373451974 512338378 /nfs/dbraw/zinc/33/83/78/512338378.db2.gz IFTWBMKBYLUMMN-UHFFFAOYSA-N 1 2 358.829 2.903 20 30 FFEDLO N#Cc1cccc(CNC(=O)Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC000048147946 507463934 /nfs/dbraw/zinc/46/39/34/507463934.db2.gz FHAVBFPKJJOONX-UHFFFAOYSA-N 1 2 350.422 2.712 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000369298390 512340766 /nfs/dbraw/zinc/34/07/66/512340766.db2.gz LQERYNDLZGFMGY-IBGZPJMESA-N 1 2 355.401 2.743 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375464606 512343244 /nfs/dbraw/zinc/34/32/44/512343244.db2.gz JZHGTOPYOKANCA-ZDUSSCGKSA-N 1 2 371.828 2.900 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375464606 512343247 /nfs/dbraw/zinc/34/32/47/512343247.db2.gz JZHGTOPYOKANCA-ZDUSSCGKSA-N 1 2 371.828 2.900 20 30 FFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000048427253 507521116 /nfs/dbraw/zinc/52/11/16/507521116.db2.gz ZXPNQOCXKAWPDR-ZDUSSCGKSA-N 1 2 350.344 2.641 20 30 FFEDLO CC(C)CCOc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000060634207 507571083 /nfs/dbraw/zinc/57/10/83/507571083.db2.gz SLFSDIGJQZVHPO-UHFFFAOYSA-N 1 2 373.497 2.800 20 30 FFEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000026321262 507577622 /nfs/dbraw/zinc/57/76/22/507577622.db2.gz RUGJYBAAGXQTJG-UHFFFAOYSA-N 1 2 355.394 2.625 20 30 FFEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000026321262 507577627 /nfs/dbraw/zinc/57/76/27/507577627.db2.gz RUGJYBAAGXQTJG-UHFFFAOYSA-N 1 2 355.394 2.625 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000367136864 512354884 /nfs/dbraw/zinc/35/48/84/512354884.db2.gz BEPWPHZGDOBSBF-MOPGFXCFSA-N 1 2 353.378 2.573 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000367136864 512354889 /nfs/dbraw/zinc/35/48/89/512354889.db2.gz BEPWPHZGDOBSBF-MOPGFXCFSA-N 1 2 353.378 2.573 20 30 FFEDLO COc1ccc(OC)c(C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2CC2)c1 ZINC000028980648 507753349 /nfs/dbraw/zinc/75/33/49/507753349.db2.gz GOVXEXOBRJGGRX-HXUWFJFHSA-N 1 2 359.470 2.723 20 30 FFEDLO COc1ccc(OC)c(C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2CC2)c1 ZINC000028980648 507753353 /nfs/dbraw/zinc/75/33/53/507753353.db2.gz GOVXEXOBRJGGRX-HXUWFJFHSA-N 1 2 359.470 2.723 20 30 FFEDLO COCC[N@H+](CC(=O)N(C)Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000063754544 507768245 /nfs/dbraw/zinc/76/82/45/507768245.db2.gz HXJSDBRQAAUQTM-UHFFFAOYSA-N 1 2 351.450 2.665 20 30 FFEDLO COCC[N@@H+](CC(=O)N(C)Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000063754544 507768250 /nfs/dbraw/zinc/76/82/50/507768250.db2.gz HXJSDBRQAAUQTM-UHFFFAOYSA-N 1 2 351.450 2.665 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])ccc1N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000029844868 507792181 /nfs/dbraw/zinc/79/21/81/507792181.db2.gz CFNBPVNQQCEEBW-LJQANCHMSA-N 1 2 352.394 2.952 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857115 507793967 /nfs/dbraw/zinc/79/39/67/507793967.db2.gz LPLSQSKUFJVKJG-GPMSIDNRSA-N 1 2 372.488 2.903 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1C#N ZINC000089273174 507826572 /nfs/dbraw/zinc/82/65/72/507826572.db2.gz QRHDAUWKRFLZQD-SFHVURJKSA-N 1 2 372.469 2.674 20 30 FFEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000072692890 507843078 /nfs/dbraw/zinc/84/30/78/507843078.db2.gz LGTDPYWHRHCLON-UHFFFAOYSA-N 1 2 358.486 2.979 20 30 FFEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000072692890 507843079 /nfs/dbraw/zinc/84/30/79/507843079.db2.gz LGTDPYWHRHCLON-UHFFFAOYSA-N 1 2 358.486 2.979 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000072774409 507852266 /nfs/dbraw/zinc/85/22/66/507852266.db2.gz DVIZDBPEYDVIHT-DYESRHJHSA-N 1 2 367.497 2.806 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000072895473 507870034 /nfs/dbraw/zinc/87/00/34/507870034.db2.gz GRNSFQWEBASZCA-OXQOHEQNSA-N 1 2 353.470 2.747 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000072895473 507870036 /nfs/dbraw/zinc/87/00/36/507870036.db2.gz GRNSFQWEBASZCA-OXQOHEQNSA-N 1 2 353.470 2.747 20 30 FFEDLO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000078616107 507889718 /nfs/dbraw/zinc/88/97/18/507889718.db2.gz BBDGDAHSNGVVGU-YLJYHZDGSA-N 1 2 354.498 2.706 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089968526 507893727 /nfs/dbraw/zinc/89/37/27/507893727.db2.gz USBMDGJMRIFQLC-AWEZNQCLSA-N 1 2 369.387 2.711 20 30 FFEDLO C=CC[N@H+](CC(=O)NC(=O)NCc1ccccc1)Cc1ccccc1F ZINC000108449280 507895129 /nfs/dbraw/zinc/89/51/29/507895129.db2.gz DWRIXFZDJXFGFI-UHFFFAOYSA-N 1 2 355.413 2.840 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC(=O)NCc1ccccc1)Cc1ccccc1F ZINC000108449280 507895130 /nfs/dbraw/zinc/89/51/30/507895130.db2.gz DWRIXFZDJXFGFI-UHFFFAOYSA-N 1 2 355.413 2.840 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000109028963 507932969 /nfs/dbraw/zinc/93/29/69/507932969.db2.gz NGTFYKWQPDKQNK-LSDHHAIUSA-N 1 2 362.499 2.923 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c1C#N ZINC000091069451 507949046 /nfs/dbraw/zinc/94/90/46/507949046.db2.gz GAUDPGZZBYCNND-SFHVURJKSA-N 1 2 363.465 2.639 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)c1C#N ZINC000091069451 507949049 /nfs/dbraw/zinc/94/90/49/507949049.db2.gz GAUDPGZZBYCNND-SFHVURJKSA-N 1 2 363.465 2.639 20 30 FFEDLO CCOCCO[C@H]1CC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091073690 507949938 /nfs/dbraw/zinc/94/99/38/507949938.db2.gz POGBOXVMBYVFSP-SFHVURJKSA-N 1 2 354.454 2.680 20 30 FFEDLO CCOCCO[C@H]1CC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091073690 507949940 /nfs/dbraw/zinc/94/99/40/507949940.db2.gz POGBOXVMBYVFSP-SFHVURJKSA-N 1 2 354.454 2.680 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCc3n[nH]cc3C2)c1 ZINC000091078188 507950917 /nfs/dbraw/zinc/95/09/17/507950917.db2.gz FFGSGCBQMAICCD-INIZCTEOSA-N 1 2 351.454 2.720 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCc3n[nH]cc3C2)c1 ZINC000091078188 507950920 /nfs/dbraw/zinc/95/09/20/507950920.db2.gz FFGSGCBQMAICCD-INIZCTEOSA-N 1 2 351.454 2.720 20 30 FFEDLO CC(C)CN(CC(C)C)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000110300500 508019585 /nfs/dbraw/zinc/01/95/85/508019585.db2.gz KSEYYOVFUNAVDM-UHFFFAOYSA-N 1 2 374.504 2.960 20 30 FFEDLO CN(CCC#N)c1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000092040452 508036115 /nfs/dbraw/zinc/03/61/15/508036115.db2.gz FKECWUBTWLNTMZ-PMACEKPBSA-N 1 2 369.465 2.954 20 30 FFEDLO CN(CCC#N)c1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000092040452 508036118 /nfs/dbraw/zinc/03/61/18/508036118.db2.gz FKECWUBTWLNTMZ-PMACEKPBSA-N 1 2 369.465 2.954 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OCCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361476 508064316 /nfs/dbraw/zinc/06/43/16/508064316.db2.gz MVZRAGZEXONBLM-INIZCTEOSA-N 1 2 353.484 2.659 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OCCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361476 508064319 /nfs/dbraw/zinc/06/43/19/508064319.db2.gz MVZRAGZEXONBLM-INIZCTEOSA-N 1 2 353.484 2.659 20 30 FFEDLO C[S@](=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000092612885 508086737 /nfs/dbraw/zinc/08/67/37/508086737.db2.gz MMIQQYXOZCTOFB-RUZDIDTESA-N 1 2 357.454 2.757 20 30 FFEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H](C)c2ccccc2F)CC1 ZINC000092617547 508087904 /nfs/dbraw/zinc/08/79/04/508087904.db2.gz NNCKBYYXTSSLCT-LPHOPBHVSA-N 1 2 360.477 2.511 20 30 FFEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2ccccc2F)CC1 ZINC000092617547 508087907 /nfs/dbraw/zinc/08/79/07/508087907.db2.gz NNCKBYYXTSSLCT-LPHOPBHVSA-N 1 2 360.477 2.511 20 30 FFEDLO C=CCOc1ccccc1C[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000092937683 508108969 /nfs/dbraw/zinc/10/89/69/508108969.db2.gz JCPXVDSSFUEVGB-UHFFFAOYSA-N 1 2 352.434 2.915 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCN(c4ccc(O)cc4)CC3)o2)c1 ZINC000075594638 508121107 /nfs/dbraw/zinc/12/11/07/508121107.db2.gz YGMWUKISQUUVGJ-UHFFFAOYSA-N 1 2 361.405 2.636 20 30 FFEDLO COc1cc(C[NH+]2CCN(C(=O)c3cccc(C#N)c3)CC2)cc(OC)c1 ZINC000081008957 508124110 /nfs/dbraw/zinc/12/41/10/508124110.db2.gz CSKKQPQCZOYBHE-UHFFFAOYSA-N 1 2 365.433 2.533 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccccc1Oc1cccnc1 ZINC000081158483 508142335 /nfs/dbraw/zinc/14/23/35/508142335.db2.gz FQNCJUVRSIZHTF-UHFFFAOYSA-N 1 2 366.465 2.922 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(OC)cc1 ZINC000081512607 508183947 /nfs/dbraw/zinc/18/39/47/508183947.db2.gz LSIKIBZLAVPJFG-UHFFFAOYSA-N 1 2 358.463 2.863 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(OC)cc1 ZINC000081512607 508183950 /nfs/dbraw/zinc/18/39/50/508183950.db2.gz LSIKIBZLAVPJFG-UHFFFAOYSA-N 1 2 358.463 2.863 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+]([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000101554795 508245555 /nfs/dbraw/zinc/24/55/55/508245555.db2.gz WXKQCERWVMXVDK-NRFANRHFSA-N 1 2 360.461 2.700 20 30 FFEDLO CCSCC[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000076787783 508253879 /nfs/dbraw/zinc/25/38/79/508253879.db2.gz BYRRSAOEGJIMAZ-INIZCTEOSA-N 1 2 360.527 2.917 20 30 FFEDLO NC(=[NH+]OCCCOCC(F)(F)F)c1ccc(N2CCCCC2)nc1 ZINC000077239163 508291538 /nfs/dbraw/zinc/29/15/38/508291538.db2.gz FKAAXDZQWCIRKD-UHFFFAOYSA-N 1 2 360.380 2.678 20 30 FFEDLO CC[NH+](CC)[C@H](CNS(=O)(=O)CCCC#N)c1ccccc1Cl ZINC000104108087 508328512 /nfs/dbraw/zinc/32/85/12/508328512.db2.gz PQJSAVOMRKQPAD-MRXNPFEDSA-N 1 2 357.907 2.946 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)c1cc(C#N)ccc1C ZINC000114735578 508343646 /nfs/dbraw/zinc/34/36/46/508343646.db2.gz DBTGOORYMRPAGI-UHFFFAOYSA-N 1 2 368.462 2.893 20 30 FFEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105297889 508369339 /nfs/dbraw/zinc/36/93/39/508369339.db2.gz LLSCTWIARNTFPC-DLBZAZTESA-N 1 2 361.486 2.502 20 30 FFEDLO COc1ccc(C#N)cc1C[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000127431507 508449088 /nfs/dbraw/zinc/44/90/88/508449088.db2.gz CJBZIQOLZYUOAR-UHFFFAOYSA-N 1 2 361.449 2.532 20 30 FFEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000122172724 508493226 /nfs/dbraw/zinc/49/32/26/508493226.db2.gz ZYWOSYNDPDXNDI-UHFFFAOYSA-N 1 2 361.405 2.613 20 30 FFEDLO C=C(C)CN(C)C(=O)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000410881074 512399577 /nfs/dbraw/zinc/39/95/77/512399577.db2.gz ZSFXKKQPNYGXSE-UHFFFAOYSA-N 1 2 374.872 2.600 20 30 FFEDLO C[C@@H](C#N)N(C)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000410881967 512400077 /nfs/dbraw/zinc/40/00/77/512400077.db2.gz FZPYCIAZDOFVRF-WFASDCNBSA-N 1 2 350.260 2.956 20 30 FFEDLO C=CCc1cc(C[NH+]2CCN(Cc3cc(C)no3)CC2)cc(OC)c1O ZINC000122357179 508522238 /nfs/dbraw/zinc/52/22/38/508522238.db2.gz HWXZMDWHOZMFII-UHFFFAOYSA-N 1 2 357.454 2.744 20 30 FFEDLO C=CCc1cc(CN2CC[NH+](Cc3cc(C)no3)CC2)cc(OC)c1O ZINC000122357179 508522241 /nfs/dbraw/zinc/52/22/41/508522241.db2.gz HWXZMDWHOZMFII-UHFFFAOYSA-N 1 2 357.454 2.744 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CCNC(=O)C(C)C)c1 ZINC000157486069 508573385 /nfs/dbraw/zinc/57/33/85/508573385.db2.gz PCYZTOWGVYPEGY-SFHVURJKSA-N 1 2 372.513 2.643 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CCNC(=O)C(C)C)c1 ZINC000157486069 508573386 /nfs/dbraw/zinc/57/33/86/508573386.db2.gz PCYZTOWGVYPEGY-SFHVURJKSA-N 1 2 372.513 2.643 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)C1CC1 ZINC000117351018 508594651 /nfs/dbraw/zinc/59/46/51/508594651.db2.gz LTXNRPHKNIAGAY-NSHDSACASA-N 1 2 357.298 2.612 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)C1CC1 ZINC000117351018 508594652 /nfs/dbraw/zinc/59/46/52/508594652.db2.gz LTXNRPHKNIAGAY-NSHDSACASA-N 1 2 357.298 2.612 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000122973253 508616697 /nfs/dbraw/zinc/61/66/97/508616697.db2.gz FVFRHSKCCSUXGE-UHFFFAOYSA-N 1 2 362.462 2.794 20 30 FFEDLO CCc1ccc([C@@H](C)CC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000157845474 508621430 /nfs/dbraw/zinc/62/14/30/508621430.db2.gz QOVHPLVXQYMNCS-SFHVURJKSA-N 1 2 357.498 2.817 20 30 FFEDLO CC[N@H+](CCCNC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccccc1 ZINC000135707292 508641918 /nfs/dbraw/zinc/64/19/18/508641918.db2.gz VCKKGWZBHRHMLX-UHFFFAOYSA-N 1 2 368.412 2.669 20 30 FFEDLO CC[N@@H+](CCCNC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccccc1 ZINC000135707292 508641926 /nfs/dbraw/zinc/64/19/26/508641926.db2.gz VCKKGWZBHRHMLX-UHFFFAOYSA-N 1 2 368.412 2.669 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000128839197 508649720 /nfs/dbraw/zinc/64/97/20/508649720.db2.gz BZGKVBYJABFFCM-TZMCWYRMSA-N 1 2 359.227 2.589 20 30 FFEDLO C=CCNc1ncc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000136096105 508670067 /nfs/dbraw/zinc/67/00/67/508670067.db2.gz XCDIZNDVFNSMFT-UHFFFAOYSA-N 1 2 356.495 2.742 20 30 FFEDLO CN(C)c1cccc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000136118651 508671740 /nfs/dbraw/zinc/67/17/40/508671740.db2.gz IYXWUAUECFDRKP-UHFFFAOYSA-N 1 2 357.479 2.530 20 30 FFEDLO CN(C)c1cccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000136118651 508671742 /nfs/dbraw/zinc/67/17/42/508671742.db2.gz IYXWUAUECFDRKP-UHFFFAOYSA-N 1 2 357.479 2.530 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000367254912 512409483 /nfs/dbraw/zinc/40/94/83/512409483.db2.gz KDQOWZCPSUQJGV-UHFFFAOYSA-N 1 2 359.433 2.765 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000367254912 512409489 /nfs/dbraw/zinc/40/94/89/512409489.db2.gz KDQOWZCPSUQJGV-UHFFFAOYSA-N 1 2 359.433 2.765 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136867782 508722211 /nfs/dbraw/zinc/72/22/11/508722211.db2.gz PMSGKILSHQHYFJ-WOJBJXKFSA-N 1 2 366.421 2.511 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)[NH+]1CCSCC1 ZINC000130911051 508864349 /nfs/dbraw/zinc/86/43/49/508864349.db2.gz GVMQXCPFAQIUQZ-MRXNPFEDSA-N 1 2 351.475 2.857 20 30 FFEDLO C[C@@H](Cc1cccc(Cl)c1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000125481331 508989326 /nfs/dbraw/zinc/98/93/26/508989326.db2.gz WORHQSPVKOFYMA-INIZCTEOSA-N 1 2 363.889 2.593 20 30 FFEDLO C[NH+](C)[C@@H](CNC(=O)Cc1cccc(OCC#N)c1)c1c(F)cccc1F ZINC000120458426 509001055 /nfs/dbraw/zinc/00/10/55/509001055.db2.gz LQDUZRKFRPDBBK-SFHVURJKSA-N 1 2 373.403 2.829 20 30 FFEDLO CC(C)[N@@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000371500228 512436139 /nfs/dbraw/zinc/43/61/39/512436139.db2.gz MFNSFHXTKOIAEQ-IAGOWNOFSA-N 1 2 371.453 2.712 20 30 FFEDLO CC(C)[N@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000371500228 512436144 /nfs/dbraw/zinc/43/61/44/512436144.db2.gz MFNSFHXTKOIAEQ-IAGOWNOFSA-N 1 2 371.453 2.712 20 30 FFEDLO Cc1nc(CC(N)=[NH+]OCC(=O)Nc2cc(Cl)ccc2C)cs1 ZINC000121055534 509118674 /nfs/dbraw/zinc/11/86/74/509118674.db2.gz SXZQACYTKAGQMK-UHFFFAOYSA-N 1 2 352.847 2.883 20 30 FFEDLO CCN(CC#N)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000161549325 509127891 /nfs/dbraw/zinc/12/78/91/509127891.db2.gz MSASGDAYTJOIMP-OAHLLOKOSA-N 1 2 350.260 2.958 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2c(Br)cccc2C1 ZINC000121161598 509141357 /nfs/dbraw/zinc/14/13/57/509141357.db2.gz XIBFXDOLHUEXSC-CYBMUJFWSA-N 1 2 364.287 2.815 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2c(Br)cccc2C1 ZINC000121161598 509141359 /nfs/dbraw/zinc/14/13/59/509141359.db2.gz XIBFXDOLHUEXSC-CYBMUJFWSA-N 1 2 364.287 2.815 20 30 FFEDLO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c(C#N)c1C ZINC000185469260 509191302 /nfs/dbraw/zinc/19/13/02/509191302.db2.gz FORHQUWEDCSXQF-ZDUSSCGKSA-N 1 2 364.409 2.638 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000247974916 509206244 /nfs/dbraw/zinc/20/62/44/509206244.db2.gz KPHRULSXDKCREP-IFMALSPDSA-N 1 2 369.461 2.934 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000247974916 509206249 /nfs/dbraw/zinc/20/62/49/509206249.db2.gz KPHRULSXDKCREP-IFMALSPDSA-N 1 2 369.461 2.934 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000216593601 509262903 /nfs/dbraw/zinc/26/29/03/509262903.db2.gz ZIMSNURUPWIRQM-APWZRJJASA-N 1 2 372.488 2.856 20 30 FFEDLO C=C(C)[C@H](NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000248477023 509338635 /nfs/dbraw/zinc/33/86/35/509338635.db2.gz OKOQIIMSRIMRLZ-GLJUWKHASA-N 1 2 367.440 2.990 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000267095988 509343602 /nfs/dbraw/zinc/34/36/02/509343602.db2.gz RQVSOKBHCBXSHK-KRWDZBQOSA-N 1 2 358.438 2.961 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000267095988 509343611 /nfs/dbraw/zinc/34/36/11/509343611.db2.gz RQVSOKBHCBXSHK-KRWDZBQOSA-N 1 2 358.438 2.961 20 30 FFEDLO C[C@@H](C#N)CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000182655825 509353833 /nfs/dbraw/zinc/35/38/33/509353833.db2.gz KLIOLPYAOVTIGV-WFASDCNBSA-N 1 2 352.841 2.902 20 30 FFEDLO C[C@@H](C#N)CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000182655825 509353835 /nfs/dbraw/zinc/35/38/35/509353835.db2.gz KLIOLPYAOVTIGV-WFASDCNBSA-N 1 2 352.841 2.902 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)Nc1cccc(C)c1C#N ZINC000192129448 509360495 /nfs/dbraw/zinc/36/04/95/509360495.db2.gz PPZVDBJONBOXOW-UHFFFAOYSA-N 1 2 367.453 2.503 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000173220022 509463163 /nfs/dbraw/zinc/46/31/63/509463163.db2.gz HJINMVKKBRMDON-RKDXNWHRSA-N 1 2 364.393 2.603 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179516422 509491829 /nfs/dbraw/zinc/49/18/29/509491829.db2.gz VEEJCKQTYCJBJH-DLBZAZTESA-N 1 2 365.437 2.647 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179516422 509491832 /nfs/dbraw/zinc/49/18/32/509491832.db2.gz VEEJCKQTYCJBJH-DLBZAZTESA-N 1 2 365.437 2.647 20 30 FFEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000264493006 509561414 /nfs/dbraw/zinc/56/14/14/509561414.db2.gz SZCOBTJOBJARAC-UONOGXRCSA-N 1 2 361.467 2.514 20 30 FFEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000264493006 509561418 /nfs/dbraw/zinc/56/14/18/509561418.db2.gz SZCOBTJOBJARAC-UONOGXRCSA-N 1 2 361.467 2.514 20 30 FFEDLO CC[C@@]1(C)C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CCO1 ZINC000248985064 509564255 /nfs/dbraw/zinc/56/42/55/509564255.db2.gz WFBSFFITAMBSKH-UZLBHIALSA-N 1 2 359.470 2.831 20 30 FFEDLO CC[C@@]1(C)C[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CCO1 ZINC000248985064 509564260 /nfs/dbraw/zinc/56/42/60/509564260.db2.gz WFBSFFITAMBSKH-UZLBHIALSA-N 1 2 359.470 2.831 20 30 FFEDLO C#CCCCCC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000179676968 509568828 /nfs/dbraw/zinc/56/88/28/509568828.db2.gz JZVTVZOHWWPUQE-LJQANCHMSA-N 1 2 355.438 2.837 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000249082987 509596106 /nfs/dbraw/zinc/59/61/06/509596106.db2.gz SSIHEUWGYRORNI-NVXWUHKLSA-N 1 2 374.395 2.642 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000249082987 509596111 /nfs/dbraw/zinc/59/61/11/509596111.db2.gz SSIHEUWGYRORNI-NVXWUHKLSA-N 1 2 374.395 2.642 20 30 FFEDLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000249102806 509605253 /nfs/dbraw/zinc/60/52/53/509605253.db2.gz PVYOZOXPVAGHJY-SLEUVZQESA-N 1 2 363.845 2.670 20 30 FFEDLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000249102806 509605259 /nfs/dbraw/zinc/60/52/59/509605259.db2.gz PVYOZOXPVAGHJY-SLEUVZQESA-N 1 2 363.845 2.670 20 30 FFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000167926633 509642594 /nfs/dbraw/zinc/64/25/94/509642594.db2.gz CQTOWOKGHHQMEV-HOTGVXAUSA-N 1 2 373.881 2.838 20 30 FFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000167926633 509642599 /nfs/dbraw/zinc/64/25/99/509642599.db2.gz CQTOWOKGHHQMEV-HOTGVXAUSA-N 1 2 373.881 2.838 20 30 FFEDLO C=CCOc1ccc(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)cc1OC ZINC000267910682 509665845 /nfs/dbraw/zinc/66/58/45/509665845.db2.gz DFKDTUVNKRFHTC-MRXNPFEDSA-N 1 2 359.447 2.878 20 30 FFEDLO CC1(C)C[NH+]=C(N2CCN(c3c(C#N)nnc4ccccc43)CC2)S1 ZINC000267914959 509669203 /nfs/dbraw/zinc/66/92/03/509669203.db2.gz HBEPRVLXGJZENP-UHFFFAOYSA-N 1 2 352.467 2.505 20 30 FFEDLO CCO[C@@H]1C[C@@]([NH2+]CCCOc2cccc(C#N)c2)(C(=O)OC)C1(C)C ZINC000189875390 509804752 /nfs/dbraw/zinc/80/47/52/509804752.db2.gz CWEYFEYZNSAVJW-YLJYHZDGSA-N 1 2 360.454 2.664 20 30 FFEDLO COc1cc(OC)cc([C@@H](NC(=O)NCCCCC#N)c2[nH+]ccn2C)c1 ZINC000170886836 509831781 /nfs/dbraw/zinc/83/17/81/509831781.db2.gz CMXVDFJAPKBKMA-QGZVFWFLSA-N 1 2 371.441 2.520 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000177071926 509852935 /nfs/dbraw/zinc/85/29/35/509852935.db2.gz YKLWBOHIRGMESK-WMZOPIPTSA-N 1 2 371.481 2.647 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000177071926 509852941 /nfs/dbraw/zinc/85/29/41/509852941.db2.gz YKLWBOHIRGMESK-WMZOPIPTSA-N 1 2 371.481 2.647 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000268453980 509939155 /nfs/dbraw/zinc/93/91/55/509939155.db2.gz JGBALCNKZVEYQE-SMDDNHRTSA-N 1 2 372.860 2.845 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000268453980 509939165 /nfs/dbraw/zinc/93/91/65/509939165.db2.gz JGBALCNKZVEYQE-SMDDNHRTSA-N 1 2 372.860 2.845 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000268453980 509939177 /nfs/dbraw/zinc/93/91/77/509939177.db2.gz JGBALCNKZVEYQE-SMDDNHRTSA-N 1 2 372.860 2.845 20 30 FFEDLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177211283 509939176 /nfs/dbraw/zinc/93/91/76/509939176.db2.gz BBAQPDUQKYGIPA-PUAOIOHZSA-N 1 2 373.503 2.594 20 30 FFEDLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177211283 509939185 /nfs/dbraw/zinc/93/91/85/509939185.db2.gz BBAQPDUQKYGIPA-PUAOIOHZSA-N 1 2 373.503 2.594 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000268453980 509939184 /nfs/dbraw/zinc/93/91/84/509939184.db2.gz JGBALCNKZVEYQE-SMDDNHRTSA-N 1 2 372.860 2.845 20 30 FFEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n[nH]1 ZINC000268453980 509939193 /nfs/dbraw/zinc/93/91/93/509939193.db2.gz JGBALCNKZVEYQE-SMDDNHRTSA-N 1 2 372.860 2.845 20 30 FFEDLO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n[nH]1 ZINC000268453980 509939200 /nfs/dbraw/zinc/93/92/00/509939200.db2.gz JGBALCNKZVEYQE-SMDDNHRTSA-N 1 2 372.860 2.845 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000268456220 509939423 /nfs/dbraw/zinc/93/94/23/509939423.db2.gz CLRQKFAGMVIZBX-SFHVURJKSA-N 1 2 367.474 2.832 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000268456220 509939431 /nfs/dbraw/zinc/93/94/31/509939431.db2.gz CLRQKFAGMVIZBX-SFHVURJKSA-N 1 2 367.474 2.832 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2C[C@@H](n3cc[nH+]c3)Cc3ccccc32)cc1 ZINC000174266244 510030505 /nfs/dbraw/zinc/03/05/05/510030505.db2.gz FABRTOQIPWGLKD-KRWDZBQOSA-N 1 2 364.430 2.747 20 30 FFEDLO C=CC[C@@H](C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000190286189 510043569 /nfs/dbraw/zinc/04/35/69/510043569.db2.gz BTZWSYNJLLXJFO-UYAOXDASSA-N 1 2 369.509 2.501 20 30 FFEDLO C#CCOc1ccccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000187187474 510110948 /nfs/dbraw/zinc/11/09/48/510110948.db2.gz POEOXUVGZZCHFQ-HXUWFJFHSA-N 1 2 350.418 2.538 20 30 FFEDLO C#CCOc1ccccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000187187474 510110951 /nfs/dbraw/zinc/11/09/51/510110951.db2.gz POEOXUVGZZCHFQ-HXUWFJFHSA-N 1 2 350.418 2.538 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2csc(Cc3ccccc3F)n2)CC1 ZINC000265605620 510135550 /nfs/dbraw/zinc/13/55/50/510135550.db2.gz VVSZINZJXOATLD-UHFFFAOYSA-N 1 2 357.454 2.654 20 30 FFEDLO CCN(CC)c1ccc(CNC(=O)NCc2ccc(C#N)cc2F)c[nH+]1 ZINC000171483883 510187218 /nfs/dbraw/zinc/18/72/18/510187218.db2.gz VLGYLOJKTWWPRH-UHFFFAOYSA-N 1 2 355.417 2.938 20 30 FFEDLO CCC[N@@H+](Cc1ccc(C#N)cc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000180969886 510215832 /nfs/dbraw/zinc/21/58/32/510215832.db2.gz QZXXBGIZLJGNCE-AWEZNQCLSA-N 1 2 371.300 2.720 20 30 FFEDLO CCC[N@H+](Cc1ccc(C#N)cc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000180969886 510215826 /nfs/dbraw/zinc/21/58/26/510215826.db2.gz QZXXBGIZLJGNCE-AWEZNQCLSA-N 1 2 371.300 2.720 20 30 FFEDLO C=C(C)[C@H](NC(=O)N[C@H](C)C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000187373750 510227320 /nfs/dbraw/zinc/22/73/20/510227320.db2.gz POOPCDQUGACTBH-DYVFJYSZSA-N 1 2 353.413 2.602 20 30 FFEDLO C=C(C)COc1cc(CN(CCC#N)CC[NH+]2CCOCC2)ccc1OC ZINC000269351078 510355771 /nfs/dbraw/zinc/35/57/71/510355771.db2.gz KEWVTLUMDPFMMK-UHFFFAOYSA-N 1 2 373.497 2.698 20 30 FFEDLO CC[C@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000187619263 510357940 /nfs/dbraw/zinc/35/79/40/510357940.db2.gz QMSPFJKUIZSNDD-DJJJIMSYSA-N 1 2 361.511 2.920 20 30 FFEDLO CC[C@]1(CO)CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000187619263 510357949 /nfs/dbraw/zinc/35/79/49/510357949.db2.gz QMSPFJKUIZSNDD-DJJJIMSYSA-N 1 2 361.511 2.920 20 30 FFEDLO C[C@@H]1C[NH+]=C(N2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)S1 ZINC000266044367 510377466 /nfs/dbraw/zinc/37/74/66/510377466.db2.gz VQZVUHDAGGJTRM-SNVBAGLBSA-N 1 2 355.389 2.585 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246243378 510385264 /nfs/dbraw/zinc/38/52/64/510385264.db2.gz GIWRZPSPDXXQNA-DOTOQJQBSA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246243378 510385273 /nfs/dbraw/zinc/38/52/73/510385273.db2.gz GIWRZPSPDXXQNA-DOTOQJQBSA-N 1 2 358.804 2.921 20 30 FFEDLO N#CCCC[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000181399322 510390569 /nfs/dbraw/zinc/39/05/69/510390569.db2.gz QJQLXDOBVIUATE-GJZGRUSLSA-N 1 2 357.351 2.966 20 30 FFEDLO N#CCCC[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000181399322 510390575 /nfs/dbraw/zinc/39/05/75/510390575.db2.gz QJQLXDOBVIUATE-GJZGRUSLSA-N 1 2 357.351 2.966 20 30 FFEDLO C=CCOCCCC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000266266276 510489545 /nfs/dbraw/zinc/48/95/45/510489545.db2.gz OXIYPJQXSZJAMU-IBGZPJMESA-N 1 2 373.453 2.626 20 30 FFEDLO N#CCCN(CCOc1cc(Cl)ccc1Cl)CC[NH+]1CCOCC1 ZINC000178304276 510536110 /nfs/dbraw/zinc/53/61/10/510536110.db2.gz BDNCFQLTQAAIKR-UHFFFAOYSA-N 1 2 372.296 2.920 20 30 FFEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000175382388 510618445 /nfs/dbraw/zinc/61/84/45/510618445.db2.gz MBRGCKJMSWTXAF-BZQUYTCOSA-N 1 2 361.511 2.759 20 30 FFEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000175382388 510618452 /nfs/dbraw/zinc/61/84/52/510618452.db2.gz MBRGCKJMSWTXAF-BZQUYTCOSA-N 1 2 361.511 2.759 20 30 FFEDLO O=C(/C=C/c1ccc(O)c(F)c1)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000270010175 510637709 /nfs/dbraw/zinc/63/77/09/510637709.db2.gz FJBXRAMJZMOYSJ-DAFODLJHSA-N 1 2 357.381 2.965 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185073419 510669378 /nfs/dbraw/zinc/66/93/78/510669378.db2.gz PMJVFMKMKRTALV-KPZWWZAWSA-N 1 2 359.405 2.581 20 30 FFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000185119221 510693980 /nfs/dbraw/zinc/69/39/80/510693980.db2.gz WPFAUWCQVJBRIV-CYBMUJFWSA-N 1 2 350.831 2.851 20 30 FFEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000172394334 510706207 /nfs/dbraw/zinc/70/62/07/510706207.db2.gz XHNSFBBLIJCHPI-MRXNPFEDSA-N 1 2 355.463 2.626 20 30 FFEDLO COc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000263669062 510780428 /nfs/dbraw/zinc/78/04/28/510780428.db2.gz VUFXGYVJJUOVMP-UHFFFAOYSA-N 1 2 371.466 2.763 20 30 FFEDLO COc1ccc(C#N)cc1NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000263669062 510780436 /nfs/dbraw/zinc/78/04/36/510780436.db2.gz VUFXGYVJJUOVMP-UHFFFAOYSA-N 1 2 371.466 2.763 20 30 FFEDLO C=CC[C@@H](C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000188566723 510828056 /nfs/dbraw/zinc/82/80/56/510828056.db2.gz YBCNGXOHRBFIRW-UYAOXDASSA-N 1 2 360.523 2.670 20 30 FFEDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000247622180 510867280 /nfs/dbraw/zinc/86/72/80/510867280.db2.gz NGZHILPTFPTIAU-MLGOLLRUSA-N 1 2 364.858 2.680 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329914674 510875827 /nfs/dbraw/zinc/87/58/27/510875827.db2.gz PFTFKRPBRQQAJZ-MXHNKVEKSA-N 1 2 360.454 2.735 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329914674 510875831 /nfs/dbraw/zinc/87/58/31/510875831.db2.gz PFTFKRPBRQQAJZ-MXHNKVEKSA-N 1 2 360.454 2.735 20 30 FFEDLO CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000329932857 510881189 /nfs/dbraw/zinc/88/11/89/510881189.db2.gz IXWMGFFNTMUEHH-OWSLCNJRSA-N 1 2 365.497 2.805 20 30 FFEDLO CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000329932857 510881199 /nfs/dbraw/zinc/88/11/99/510881199.db2.gz IXWMGFFNTMUEHH-OWSLCNJRSA-N 1 2 365.497 2.805 20 30 FFEDLO CCN1CCN(C(=O)NC[C@H](C)c2ncc(C)s2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329945760 510884490 /nfs/dbraw/zinc/88/44/90/510884490.db2.gz GARSVQAIZOBEAN-GXTWGEPZSA-N 1 2 362.503 2.571 20 30 FFEDLO CC(F)(F)CCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000297297387 510891939 /nfs/dbraw/zinc/89/19/39/510891939.db2.gz WQCFBUDYBSMZGS-UHFFFAOYSA-N 1 2 350.413 2.821 20 30 FFEDLO CC[C@H](NC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1)c1c(C)noc1C ZINC000329996523 510895999 /nfs/dbraw/zinc/89/59/99/510895999.db2.gz PAYZIJUYHYWSHN-LSDHHAIUSA-N 1 2 360.462 2.758 20 30 FFEDLO Cc1cc(NC(=O)c2cn([C@H]3CCOC3)nn2)c[nH+]c1N1CCCC[C@@H]1C ZINC000330055282 510907932 /nfs/dbraw/zinc/90/79/32/510907932.db2.gz UCQMMNMZPHVARE-HOCLYGCPSA-N 1 2 370.457 2.958 20 30 FFEDLO CCc1nn(C)c(CC)c1CC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330076461 510911518 /nfs/dbraw/zinc/91/15/18/510911518.db2.gz DSKKPDLSWWTVAV-FZKQIMNGSA-N 1 2 359.474 2.698 20 30 FFEDLO Cc1nc([C@H]2CCCN2C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cs1 ZINC000330092059 510913979 /nfs/dbraw/zinc/91/39/79/510913979.db2.gz QLBACAPHSVRIAJ-DVOMOZLQSA-N 1 2 352.504 2.612 20 30 FFEDLO C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330133836 510921997 /nfs/dbraw/zinc/92/19/97/510921997.db2.gz RLAROWYFIBUFPD-CLCXKQKWSA-N 1 2 350.434 2.941 20 30 FFEDLO C[C@H](C(=O)NCc1ccccc1F)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330133836 510922006 /nfs/dbraw/zinc/92/20/06/510922006.db2.gz RLAROWYFIBUFPD-CLCXKQKWSA-N 1 2 350.434 2.941 20 30 FFEDLO CCCCCCCCOCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000276075443 510925895 /nfs/dbraw/zinc/92/58/95/510925895.db2.gz UZIIWWYJJVLERU-GOSISDBHSA-N 1 2 362.518 2.886 20 30 FFEDLO CCCCCCCCOCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000276075443 510925899 /nfs/dbraw/zinc/92/58/99/510925899.db2.gz UZIIWWYJJVLERU-GOSISDBHSA-N 1 2 362.518 2.886 20 30 FFEDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000364545307 510928890 /nfs/dbraw/zinc/92/88/90/510928890.db2.gz XHCNCXVSTADMNC-UHFFFAOYSA-N 1 2 364.858 2.565 20 30 FFEDLO O=C(C[N@@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1ccc2c(c1)OCCCO2 ZINC000330189432 510933335 /nfs/dbraw/zinc/93/33/35/510933335.db2.gz VHBUNGOVSAJCQB-WMLDXEAASA-N 1 2 364.467 2.642 20 30 FFEDLO O=C(C[N@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1ccc2c(c1)OCCCO2 ZINC000330189432 510933343 /nfs/dbraw/zinc/93/33/43/510933343.db2.gz VHBUNGOVSAJCQB-WMLDXEAASA-N 1 2 364.467 2.642 20 30 FFEDLO Cc1nsc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1C#N ZINC000297415733 510937822 /nfs/dbraw/zinc/93/78/22/510937822.db2.gz LVDSUEGBRNTSDL-ZDUSSCGKSA-N 1 2 356.455 2.629 20 30 FFEDLO O=C(C[N@@H+]1CCO[C@H]2CCC[C@H]21)NCc1ccccc1CN1CCCC1=O ZINC000330277367 510954688 /nfs/dbraw/zinc/95/46/88/510954688.db2.gz OCMVMBWCMYLIAC-MOPGFXCFSA-N 1 2 371.481 2.519 20 30 FFEDLO O=C(C[N@H+]1CCO[C@H]2CCC[C@H]21)NCc1ccccc1CN1CCCC1=O ZINC000330277367 510954692 /nfs/dbraw/zinc/95/46/92/510954692.db2.gz OCMVMBWCMYLIAC-MOPGFXCFSA-N 1 2 371.481 2.519 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)CCC(=O)N3)CCO1 ZINC000330356043 510972435 /nfs/dbraw/zinc/97/24/35/510972435.db2.gz RFQYDJQFJPZOSR-PBHICJAKSA-N 1 2 369.425 2.551 20 30 FFEDLO CCOc1ccc(F)c(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)c1F ZINC000330498042 510987107 /nfs/dbraw/zinc/98/71/07/510987107.db2.gz ZIBMEOJFBNQRSJ-UHFFFAOYSA-N 1 2 370.400 2.840 20 30 FFEDLO COc1cc(C[NH+]2CCN(C(=O)c3cc(C)oc3C)CC2)ccc1C#N ZINC000282510844 511006616 /nfs/dbraw/zinc/00/66/16/511006616.db2.gz YYVJZZGZIDCEDA-UHFFFAOYSA-N 1 2 353.422 2.735 20 30 FFEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000285923361 511016827 /nfs/dbraw/zinc/01/68/27/511016827.db2.gz LJRIGHAOTIIYPW-DOTOQJQBSA-N 1 2 368.399 2.732 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@H]2CC(F)F)c(OC)c1 ZINC000286489144 511026292 /nfs/dbraw/zinc/02/62/92/511026292.db2.gz OVADEZQKVOKVCQ-HZPDHXFCSA-N 1 2 371.424 2.519 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@H]2CC(F)F)c(OC)c1 ZINC000286489144 511026296 /nfs/dbraw/zinc/02/62/96/511026296.db2.gz OVADEZQKVOKVCQ-HZPDHXFCSA-N 1 2 371.424 2.519 20 30 FFEDLO N#C[C@@]1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC12CCCC2 ZINC000294325524 511028351 /nfs/dbraw/zinc/02/83/51/511028351.db2.gz HCKUESNNPSPCDJ-GHTZIAJQSA-N 1 2 353.466 2.650 20 30 FFEDLO CN1CC[NH+](Cc2cccc(NC(=O)[C@]3(C#N)CC34CCCC4)c2)CC1 ZINC000294377186 511044115 /nfs/dbraw/zinc/04/41/15/511044115.db2.gz CNCMMCUNCTXQMQ-OAQYLSRUSA-N 1 2 352.482 2.847 20 30 FFEDLO CC[C@H](C)[C@H](NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)C(F)(F)F ZINC000331325376 511061490 /nfs/dbraw/zinc/06/14/90/511061490.db2.gz NSVGQVHZNJYXCG-QWRGUYRKSA-N 1 2 352.401 2.809 20 30 FFEDLO CCCCCCCCOCCCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000288483652 511077679 /nfs/dbraw/zinc/07/76/79/511077679.db2.gz VPANEAIOVXUVRC-INIZCTEOSA-N 1 2 350.463 2.640 20 30 FFEDLO CCCCCCCCOCCCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000288483652 511077682 /nfs/dbraw/zinc/07/76/82/511077682.db2.gz VPANEAIOVXUVRC-INIZCTEOSA-N 1 2 350.463 2.640 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c1C ZINC000279468123 511093253 /nfs/dbraw/zinc/09/32/53/511093253.db2.gz HEJKNGDIJSPLMY-GOSISDBHSA-N 1 2 362.433 2.920 20 30 FFEDLO C=CCN(CC=C)[C@@H](C[NH2+]Cc1ncc(C2OCCO2)s1)C(C)C ZINC000289294298 511097293 /nfs/dbraw/zinc/09/72/93/511097293.db2.gz QATOWKVQLRUXIW-HNNXBMFYSA-N 1 2 351.516 2.977 20 30 FFEDLO C=CCOc1ccc(C[N@@H+](CC)[C@H](C)CS(=O)(=O)CC)cc1OC ZINC000271179878 511110122 /nfs/dbraw/zinc/11/01/22/511110122.db2.gz KSKIZIAVEHGXBO-OAHLLOKOSA-N 1 2 355.500 2.905 20 30 FFEDLO C=CCOc1ccc(C[N@H+](CC)[C@H](C)CS(=O)(=O)CC)cc1OC ZINC000271179878 511110125 /nfs/dbraw/zinc/11/01/25/511110125.db2.gz KSKIZIAVEHGXBO-OAHLLOKOSA-N 1 2 355.500 2.905 20 30 FFEDLO C[N@@H+]1CCc2ncnc(N[C@@H]3CCCN(c4ccc(C#N)cc4F)C3)c2C1 ZINC000364888631 511136196 /nfs/dbraw/zinc/13/61/96/511136196.db2.gz MWMIWONXGFOOLZ-OAHLLOKOSA-N 1 2 366.444 2.556 20 30 FFEDLO C[N@H+]1CCc2ncnc(N[C@@H]3CCCN(c4ccc(C#N)cc4F)C3)c2C1 ZINC000364888631 511136199 /nfs/dbraw/zinc/13/61/99/511136199.db2.gz MWMIWONXGFOOLZ-OAHLLOKOSA-N 1 2 366.444 2.556 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)C(C)(C)CO ZINC000298016269 511143641 /nfs/dbraw/zinc/14/36/41/511143641.db2.gz DAZDDWUYOUYWED-HNNXBMFYSA-N 1 2 372.473 2.730 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N(C)Cc2ccccc2C)n1 ZINC000279670946 511170457 /nfs/dbraw/zinc/17/04/57/511170457.db2.gz FHSHOZATFRZTEX-GOSISDBHSA-N 1 2 352.482 2.694 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N(C)Cc2ccccc2C)n1 ZINC000279670946 511170458 /nfs/dbraw/zinc/17/04/58/511170458.db2.gz FHSHOZATFRZTEX-GOSISDBHSA-N 1 2 352.482 2.694 20 30 FFEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000298169463 511196185 /nfs/dbraw/zinc/19/61/85/511196185.db2.gz CEQVAFJKAGIEOE-PKOBYXMFSA-N 1 2 366.465 2.507 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000365018565 511208350 /nfs/dbraw/zinc/20/83/50/511208350.db2.gz OYAMKCBZKPUYSK-QGZVFWFLSA-N 1 2 358.829 2.959 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H](CO)c3c(F)cccc3F)C2=O)cc1 ZINC000365110673 511263162 /nfs/dbraw/zinc/26/31/62/511263162.db2.gz QBOMAWMCNCVWNP-QZTJIDSGSA-N 1 2 371.387 2.655 20 30 FFEDLO CC(C)(CC#N)CS(=O)(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000295152898 511301664 /nfs/dbraw/zinc/30/16/64/511301664.db2.gz MFJTYJLPGZQQDC-UHFFFAOYSA-N 1 2 374.510 2.875 20 30 FFEDLO Cn1cc(-c2nc([C@@H]3CCCCC[N@@H+]3Cc3cc(C#N)n(C)c3)no2)cn1 ZINC000365256623 511347276 /nfs/dbraw/zinc/34/72/76/511347276.db2.gz OKGNPAMXBLGSIJ-KRWDZBQOSA-N 1 2 365.441 2.798 20 30 FFEDLO Cn1cc(-c2nc([C@@H]3CCCCC[N@H+]3Cc3cc(C#N)n(C)c3)no2)cn1 ZINC000365256623 511347279 /nfs/dbraw/zinc/34/72/79/511347279.db2.gz OKGNPAMXBLGSIJ-KRWDZBQOSA-N 1 2 365.441 2.798 20 30 FFEDLO CO[C@@H]1CCC[C@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000280362867 511437117 /nfs/dbraw/zinc/43/71/17/511437117.db2.gz UVKUYMJOTLIFDY-VQTJNVASSA-N 1 2 355.482 2.798 20 30 FFEDLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292042876 511442475 /nfs/dbraw/zinc/44/24/75/511442475.db2.gz ARTDUHMUJDENGN-MAUKXSAKSA-N 1 2 360.421 2.748 20 30 FFEDLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292042876 511442484 /nfs/dbraw/zinc/44/24/84/511442484.db2.gz ARTDUHMUJDENGN-MAUKXSAKSA-N 1 2 360.421 2.748 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292113721 511470225 /nfs/dbraw/zinc/47/02/25/511470225.db2.gz HHLQCBHLFCGIOV-WFASDCNBSA-N 1 2 372.375 2.712 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292113721 511470230 /nfs/dbraw/zinc/47/02/30/511470230.db2.gz HHLQCBHLFCGIOV-WFASDCNBSA-N 1 2 372.375 2.712 20 30 FFEDLO Cc1cccc([C@@H](CNC(=O)N2CCC(C)(C#N)CC2)[NH+]2CCOCC2)c1 ZINC000272435030 511493358 /nfs/dbraw/zinc/49/33/58/511493358.db2.gz PYNUFSPPDLXFMT-LJQANCHMSA-N 1 2 370.497 2.704 20 30 FFEDLO CC1(C#N)CC[NH+](CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000272501078 511496422 /nfs/dbraw/zinc/49/64/22/511496422.db2.gz DQZGQBMZEDVAJM-UHFFFAOYSA-N 1 2 371.300 2.848 20 30 FFEDLO CCCCC[N@H+](CC(N)=O)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000272610735 511501317 /nfs/dbraw/zinc/50/13/17/511501317.db2.gz SJBIFWATAKYVPH-UHFFFAOYSA-N 1 2 358.486 2.528 20 30 FFEDLO CCCCC[N@@H+](CC(N)=O)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000272610735 511501319 /nfs/dbraw/zinc/50/13/19/511501319.db2.gz SJBIFWATAKYVPH-UHFFFAOYSA-N 1 2 358.486 2.528 20 30 FFEDLO CCOC(=O)c1[nH]c(C[NH+]2CCC(C)(C#N)CC2)c(C(=O)OCC)c1C ZINC000272649219 511502985 /nfs/dbraw/zinc/50/29/85/511502985.db2.gz YYIFTZNCRGTTTL-UHFFFAOYSA-N 1 2 361.442 2.802 20 30 FFEDLO C[C@@H](c1nnnn1C1CCCCC1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292294274 511541438 /nfs/dbraw/zinc/54/14/38/511541438.db2.gz ULBKYEPYQAUBCV-WMLDXEAASA-N 1 2 367.457 2.659 20 30 FFEDLO C[C@@H](c1nnnn1C1CCCCC1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292294274 511541442 /nfs/dbraw/zinc/54/14/42/511541442.db2.gz ULBKYEPYQAUBCV-WMLDXEAASA-N 1 2 367.457 2.659 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1[nH+]cnc2c1c(Br)nn2C ZINC000280725888 511579260 /nfs/dbraw/zinc/57/92/60/511579260.db2.gz JIJDHSYOGUDHTP-ONGXEEELSA-N 1 2 352.236 2.519 20 30 FFEDLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)s1 ZINC000273722530 511587974 /nfs/dbraw/zinc/58/79/74/511587974.db2.gz SAVXPBPVRLDSIX-NWDGAFQWSA-N 1 2 361.446 2.972 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCC(F)(F)C3)CC2)cc1 ZINC000280768351 511593729 /nfs/dbraw/zinc/59/37/29/511593729.db2.gz RETPRFKYNPFGFG-KRWDZBQOSA-N 1 2 362.424 2.821 20 30 FFEDLO CCOC1CC(CNc2nc(C)c(C#N)cc2Cl)([NH+]2CCOCC2)C1 ZINC000292506705 511623682 /nfs/dbraw/zinc/62/36/82/511623682.db2.gz GCHBPALCHKCVKA-UHFFFAOYSA-N 1 2 364.877 2.597 20 30 FFEDLO CC(C)Oc1ccc(/C=C/C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000299559396 511663075 /nfs/dbraw/zinc/66/30/75/511663075.db2.gz VCVJUYLANZXMIC-RMKNXTFCSA-N 1 2 371.481 2.561 20 30 FFEDLO CCOC(=O)c1csc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000292648313 511672967 /nfs/dbraw/zinc/67/29/67/511672967.db2.gz OTICBVFIKIGXOJ-UHFFFAOYSA-N 1 2 370.478 2.509 20 30 FFEDLO COC(=O)c1cc([C@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)oc1C ZINC000292729465 511700249 /nfs/dbraw/zinc/70/02/49/511700249.db2.gz VERYZOQOSSMWMN-ZDUSSCGKSA-N 1 2 354.410 2.525 20 30 FFEDLO C#CCC[NH+]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000302002103 511704504 /nfs/dbraw/zinc/70/45/04/511704504.db2.gz WVFRRWPIKNPKJD-UHFFFAOYSA-N 1 2 372.303 2.667 20 30 FFEDLO C=C(C)CN(CC)C(=O)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000284488413 511743450 /nfs/dbraw/zinc/74/34/50/511743450.db2.gz PDSNAYBOEMLNOG-UHFFFAOYSA-N 1 2 358.486 2.503 20 30 FFEDLO C#C[C@@H](NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1)C(C)C ZINC000281212328 511761749 /nfs/dbraw/zinc/76/17/49/511761749.db2.gz BJEIXTCVWCKHQV-QGZVFWFLSA-N 1 2 351.450 2.931 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)c2nc(-c3ccc(OC)cc3)no2)C1=O ZINC000281275855 511785048 /nfs/dbraw/zinc/78/50/48/511785048.db2.gz IFRQNPZQKHSIBH-XJKSGUPXSA-N 1 2 356.426 2.525 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2nc(-c3ccc(OC)cc3)no2)C1=O ZINC000281275855 511785052 /nfs/dbraw/zinc/78/50/52/511785052.db2.gz IFRQNPZQKHSIBH-XJKSGUPXSA-N 1 2 356.426 2.525 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2c[nH]nc2-c2ccccc2F)n1 ZINC000366031740 511797279 /nfs/dbraw/zinc/79/72/79/511797279.db2.gz XNPHZLKXEKCFFX-UHFFFAOYSA-N 1 2 367.428 2.694 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2c[nH]nc2-c2ccccc2F)n1 ZINC000366031740 511797281 /nfs/dbraw/zinc/79/72/81/511797281.db2.gz XNPHZLKXEKCFFX-UHFFFAOYSA-N 1 2 367.428 2.694 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2SC)C1=O ZINC000281390892 511830083 /nfs/dbraw/zinc/83/00/83/511830083.db2.gz WTHRKYPVIXDIKV-AWEZNQCLSA-N 1 2 350.484 2.644 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(OC)c(OC)cc2SC)C1=O ZINC000281390892 511830088 /nfs/dbraw/zinc/83/00/88/511830088.db2.gz WTHRKYPVIXDIKV-AWEZNQCLSA-N 1 2 350.484 2.644 20 30 FFEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H]2CCC[C@H]2C)on1 ZINC000328704382 511917969 /nfs/dbraw/zinc/91/79/69/511917969.db2.gz KNUVWKIIOLQCMP-VWNJHIHFSA-N 1 2 352.454 2.930 20 30 FFEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H]2CCC[C@H]2C)on1 ZINC000328704382 511917971 /nfs/dbraw/zinc/91/79/71/511917971.db2.gz KNUVWKIIOLQCMP-VWNJHIHFSA-N 1 2 352.454 2.930 20 30 FFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C([O-])=[NH+]CCc1cnc(C3CC3)nc1)C2 ZINC000328774224 511929892 /nfs/dbraw/zinc/92/98/92/511929892.db2.gz BSQYHLVYXWMBRI-UHFFFAOYSA-N 1 2 368.485 2.726 20 30 FFEDLO Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000328829313 511937968 /nfs/dbraw/zinc/93/79/68/511937968.db2.gz UCNUJGDKXRHCQD-VHDGCEQUSA-N 1 2 367.515 2.759 20 30 FFEDLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)NCC1(c2ccccc2)CCOCC1 ZINC000328835187 511938356 /nfs/dbraw/zinc/93/83/56/511938356.db2.gz SGLRQDNRGKXIOH-QZTJIDSGSA-N 1 2 371.481 2.742 20 30 FFEDLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)NCC1(c2ccccc2)CCOCC1 ZINC000328835187 511938363 /nfs/dbraw/zinc/93/83/63/511938363.db2.gz SGLRQDNRGKXIOH-QZTJIDSGSA-N 1 2 371.481 2.742 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1CCO[C@H]1C1CC1)CC2 ZINC000328901214 511947863 /nfs/dbraw/zinc/94/78/63/511947863.db2.gz YUHZZSXTAUMQFD-UZLBHIALSA-N 1 2 360.454 2.586 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1CCO[C@H]1C1CC1)CC2 ZINC000328901214 511947864 /nfs/dbraw/zinc/94/78/64/511947864.db2.gz YUHZZSXTAUMQFD-UZLBHIALSA-N 1 2 360.454 2.586 20 30 FFEDLO Cc1ccc([C@H](CN2CCOCC2)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000328911429 511949066 /nfs/dbraw/zinc/94/90/66/511949066.db2.gz GIGCAHHBXGMEFI-QUCCMNQESA-N 1 2 368.481 2.784 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1)CCC2 ZINC000328912508 511949084 /nfs/dbraw/zinc/94/90/84/511949084.db2.gz PAVUGFUZJWULQN-KGLIPLIRSA-N 1 2 373.423 2.551 20 30 FFEDLO CC[C@H](CNC(=O)[C@H]1CCCCS1(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC000328944675 511954210 /nfs/dbraw/zinc/95/42/10/511954210.db2.gz UVRITQHRSKYQQY-QZTJIDSGSA-N 1 2 364.511 2.747 20 30 FFEDLO CC[C@H](CNC(=O)[C@H]1CCCCS1(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC000328944675 511954217 /nfs/dbraw/zinc/95/42/17/511954217.db2.gz UVRITQHRSKYQQY-QZTJIDSGSA-N 1 2 364.511 2.747 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)C1CCOCC1 ZINC000328993848 511963875 /nfs/dbraw/zinc/96/38/75/511963875.db2.gz DWCVIPOHNSXCCK-VVFCZOMOSA-N 1 2 374.485 2.634 20 30 FFEDLO O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000328997639 511964938 /nfs/dbraw/zinc/96/49/38/511964938.db2.gz UUOGOYXHIPSJOS-JKSUJKDBSA-N 1 2 352.438 2.972 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc2c(c1)N(C)CC2)C1CCOCC1 ZINC000329043971 511973587 /nfs/dbraw/zinc/97/35/87/511973587.db2.gz IZPXWJXVZUITPG-SFHVURJKSA-N 1 2 354.454 2.885 20 30 FFEDLO C[C@@](O)(C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1)C(F)(F)F ZINC000281823446 511978740 /nfs/dbraw/zinc/97/87/40/511978740.db2.gz KJVZILTZPDZBKO-QGZVFWFLSA-N 1 2 364.371 2.542 20 30 FFEDLO CC(C)c1cc(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)no1 ZINC000329155264 511995321 /nfs/dbraw/zinc/99/53/21/511995321.db2.gz BOWKWFYLECQRCM-FZKQIMNGSA-N 1 2 371.441 2.731 20 30 FFEDLO O=C(C[N@@H+]1CCCN(c2nccs2)CC1)Nc1ccc2c(c1)OCO2 ZINC000329194254 512002568 /nfs/dbraw/zinc/00/25/68/512002568.db2.gz UPXVDXZXTBSFAY-UHFFFAOYSA-N 1 2 360.439 2.672 20 30 FFEDLO O=C(C[N@H+]1CCCN(c2nccs2)CC1)Nc1ccc2c(c1)OCO2 ZINC000329194254 512002576 /nfs/dbraw/zinc/00/25/76/512002576.db2.gz UPXVDXZXTBSFAY-UHFFFAOYSA-N 1 2 360.439 2.672 20 30 FFEDLO CC(C)[C@H]1CCCN1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329229386 512008711 /nfs/dbraw/zinc/00/87/11/512008711.db2.gz JHIJEQLUEJMGLQ-GPMSIDNRSA-N 1 2 373.501 2.649 20 30 FFEDLO CC(C)OC[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000364195653 512012117 /nfs/dbraw/zinc/01/21/17/512012117.db2.gz FODWODNHTMYSFS-LJQANCHMSA-N 1 2 354.454 2.585 20 30 FFEDLO CC(C)OC[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000364195653 512012121 /nfs/dbraw/zinc/01/21/21/512012121.db2.gz FODWODNHTMYSFS-LJQANCHMSA-N 1 2 354.454 2.585 20 30 FFEDLO O=C(c1cccc([NH+]=C([O-])N2CCC[C@@H]2Cn2cc[nH+]c2)c1)N1CCCC1 ZINC000329272555 512019141 /nfs/dbraw/zinc/01/91/41/512019141.db2.gz JRXAZTJNRSTXLH-GOSISDBHSA-N 1 2 367.453 2.829 20 30 FFEDLO CC1(C)C[N@H+](CCNC(=O)N2Cc3ccccc3OC(C)(C)C2)CCO1 ZINC000329326360 512028268 /nfs/dbraw/zinc/02/82/68/512028268.db2.gz JGAIAMTVUSDPIF-UHFFFAOYSA-N 1 2 361.486 2.684 20 30 FFEDLO CC1(C)C[N@@H+](CCNC(=O)N2Cc3ccccc3OC(C)(C)C2)CCO1 ZINC000329326360 512028270 /nfs/dbraw/zinc/02/82/70/512028270.db2.gz JGAIAMTVUSDPIF-UHFFFAOYSA-N 1 2 361.486 2.684 20 30 FFEDLO Cc1ccc(NC(=O)C2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)nc1 ZINC000329381655 512036881 /nfs/dbraw/zinc/03/68/81/512036881.db2.gz QKHYTYJMUYSRFF-INIZCTEOSA-N 1 2 367.453 2.676 20 30 FFEDLO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000329427077 512044786 /nfs/dbraw/zinc/04/47/86/512044786.db2.gz GRKVUXBPXHPKAT-INIZCTEOSA-N 1 2 359.474 2.565 20 30 FFEDLO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000329427077 512044791 /nfs/dbraw/zinc/04/47/91/512044791.db2.gz GRKVUXBPXHPKAT-INIZCTEOSA-N 1 2 359.474 2.565 20 30 FFEDLO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000329427081 512045194 /nfs/dbraw/zinc/04/51/94/512045194.db2.gz GRKVUXBPXHPKAT-MRXNPFEDSA-N 1 2 359.474 2.565 20 30 FFEDLO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000329427081 512045196 /nfs/dbraw/zinc/04/51/96/512045196.db2.gz GRKVUXBPXHPKAT-MRXNPFEDSA-N 1 2 359.474 2.565 20 30 FFEDLO O=C(Nc1ccccc1CN1CCNC1=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329463946 512051110 /nfs/dbraw/zinc/05/11/10/512051110.db2.gz UJODVUONEWMBEL-UHFFFAOYSA-N 1 2 368.441 2.564 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC3CCCCC3)C2)[nH]1 ZINC000329480450 512054208 /nfs/dbraw/zinc/05/42/08/512054208.db2.gz QTBYRLBVZMFQHL-GXTWGEPZSA-N 1 2 362.478 2.884 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC3CCCCC3)C2)[nH]1 ZINC000329480450 512054212 /nfs/dbraw/zinc/05/42/12/512054212.db2.gz QTBYRLBVZMFQHL-GXTWGEPZSA-N 1 2 362.478 2.884 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC3CCCCC3)C2)n1 ZINC000329480450 512054218 /nfs/dbraw/zinc/05/42/18/512054218.db2.gz QTBYRLBVZMFQHL-GXTWGEPZSA-N 1 2 362.478 2.884 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC3CCCCC3)C2)n1 ZINC000329480450 512054226 /nfs/dbraw/zinc/05/42/26/512054226.db2.gz QTBYRLBVZMFQHL-GXTWGEPZSA-N 1 2 362.478 2.884 20 30 FFEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC3CCCCC3)C2)n[nH]1 ZINC000329480450 512054236 /nfs/dbraw/zinc/05/42/36/512054236.db2.gz QTBYRLBVZMFQHL-GXTWGEPZSA-N 1 2 362.478 2.884 20 30 FFEDLO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC3CCCCC3)C2)n[nH]1 ZINC000329480450 512054243 /nfs/dbraw/zinc/05/42/43/512054243.db2.gz QTBYRLBVZMFQHL-GXTWGEPZSA-N 1 2 362.478 2.884 20 30 FFEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCOC(C)(C)[C@@H]1C)C1CCOCC1 ZINC000329517417 512062016 /nfs/dbraw/zinc/06/20/16/512062016.db2.gz ZBSAYQDZWXBFPW-GOEBONIOSA-N 1 2 364.490 2.784 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000329586714 512074077 /nfs/dbraw/zinc/07/40/77/512074077.db2.gz YNEYVUIFISXKPW-KURKYZTESA-N 1 2 365.518 2.577 20 30 FFEDLO C[C@H]1C[C@H](C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)CC(=O)N1 ZINC000329673098 512084956 /nfs/dbraw/zinc/08/49/56/512084956.db2.gz NVRUMPJGWCWBQL-GJZGRUSLSA-N 1 2 372.469 2.807 20 30 FFEDLO C[C@H]1C[C@H](C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)CC(=O)N1 ZINC000329673098 512084959 /nfs/dbraw/zinc/08/49/59/512084959.db2.gz NVRUMPJGWCWBQL-GJZGRUSLSA-N 1 2 372.469 2.807 20 30 FFEDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)N[C@@H]1CCCOC1)CC2 ZINC000329734405 512092489 /nfs/dbraw/zinc/09/24/89/512092489.db2.gz KGYWRPFSWDMITJ-HUUCEWRRSA-N 1 2 364.515 2.522 20 30 FFEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)N[C@@H]1CCCOC1)CC2 ZINC000329734405 512092491 /nfs/dbraw/zinc/09/24/91/512092491.db2.gz KGYWRPFSWDMITJ-HUUCEWRRSA-N 1 2 364.515 2.522 20 30 FFEDLO O=C(NCCc1csc(N2CCCC2)n1)NCc1cn2c([nH+]1)CCCC2 ZINC000329822747 512101228 /nfs/dbraw/zinc/10/12/28/512101228.db2.gz ZEHVBIKACOSNCU-UHFFFAOYSA-N 1 2 374.514 2.522 20 30 FFEDLO C[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@@H](CO)O1 ZINC000329822933 512101785 /nfs/dbraw/zinc/10/17/85/512101785.db2.gz QDXVVOIFYVRNIR-KDOFPFPSSA-N 1 2 370.453 2.514 20 30 FFEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC3CCCCCC3)ccn2)CC1 ZINC000329855886 512104489 /nfs/dbraw/zinc/10/44/89/512104489.db2.gz UKSVVOAIYYXRKK-UHFFFAOYSA-N 1 2 359.474 2.518 20 30 FFEDLO C[C@]1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCS1 ZINC000329856889 512104492 /nfs/dbraw/zinc/10/44/92/512104492.db2.gz YQMRMRDGOHWICQ-LJQANCHMSA-N 1 2 358.511 2.876 20 30 FFEDLO CCN1CCN(CC(=O)Nc2nc3c(s2)CCCC3)C[C@H]1c1[nH]cc[nH+]1 ZINC000329899377 512106065 /nfs/dbraw/zinc/10/60/65/512106065.db2.gz FKXADQMRAMIPHY-AWEZNQCLSA-N 1 2 374.514 2.712 20 30 FFEDLO Cc1cnc2c(cccc2S(=O)(=O)N2CC[NH+]([C@@H](C)CCC#N)CC2)c1 ZINC000411142129 512487398 /nfs/dbraw/zinc/48/73/98/512487398.db2.gz JXZNFMYHXJGJAE-INIZCTEOSA-N 1 2 372.494 2.542 20 30 FFEDLO COc1ccc([C@H](NC(=O)N2CCC(C)(C#N)CC2)c2[nH+]ccn2C)cc1 ZINC000369992817 512716141 /nfs/dbraw/zinc/71/61/41/512716141.db2.gz ATYOKMFUFAKASD-KRWDZBQOSA-N 1 2 367.453 2.853 20 30 FFEDLO CC(C)(CC#N)CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000411630158 512727601 /nfs/dbraw/zinc/72/76/01/512727601.db2.gz FGCVAPSLIVKBIJ-UHFFFAOYSA-N 1 2 367.453 2.757 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000372164738 512741649 /nfs/dbraw/zinc/74/16/49/512741649.db2.gz MWUODXFFMJQHQV-UHFFFAOYSA-N 1 2 359.433 2.765 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000372164738 512741654 /nfs/dbraw/zinc/74/16/54/512741654.db2.gz MWUODXFFMJQHQV-UHFFFAOYSA-N 1 2 359.433 2.765 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCOC[C@@H](C)C2)c1C#N ZINC000374365239 512793132 /nfs/dbraw/zinc/79/31/32/512793132.db2.gz QVQTUIVRMZIYAI-AWEZNQCLSA-N 1 2 370.453 2.525 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCOC[C@@H](C)C2)c1C#N ZINC000374365239 512793137 /nfs/dbraw/zinc/79/31/37/512793137.db2.gz QVQTUIVRMZIYAI-AWEZNQCLSA-N 1 2 370.453 2.525 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)c1 ZINC000370433443 512932354 /nfs/dbraw/zinc/93/23/54/512932354.db2.gz KTJHUSCAINXSSU-QGZVFWFLSA-N 1 2 367.474 2.973 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)c1 ZINC000370433443 512932359 /nfs/dbraw/zinc/93/23/59/512932359.db2.gz KTJHUSCAINXSSU-QGZVFWFLSA-N 1 2 367.474 2.973 20 30 FFEDLO Cc1cn2c([nH+]1)CN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC2 ZINC000374702107 512962781 /nfs/dbraw/zinc/96/27/81/512962781.db2.gz ZZEFLUAGXUUBOF-AWEZNQCLSA-N 1 2 369.494 2.898 20 30 FFEDLO CCOC(=O)c1c(NC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)c(C#N)cn1CC ZINC000421183721 513141116 /nfs/dbraw/zinc/14/11/16/513141116.db2.gz OGRCXXZYWBDZKH-AAEUAGOBSA-N 1 2 370.413 2.580 20 30 FFEDLO N#Cc1cc2c(nc1N1CCC(CCCn3cc[nH+]c3)CC1)CCOC2 ZINC000450433036 513194005 /nfs/dbraw/zinc/19/40/05/513194005.db2.gz CRZWSBTZKSPMEZ-UHFFFAOYSA-N 1 2 351.454 2.919 20 30 FFEDLO CCc1cc(CCC[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)on1 ZINC000450609478 513272032 /nfs/dbraw/zinc/27/20/32/513272032.db2.gz DVQCJDRYDACECW-JLTOFOAXSA-N 1 2 350.422 2.515 20 30 FFEDLO CCc1cc(CCC[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)on1 ZINC000450609478 513272042 /nfs/dbraw/zinc/27/20/42/513272042.db2.gz DVQCJDRYDACECW-JLTOFOAXSA-N 1 2 350.422 2.515 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000412810280 513282582 /nfs/dbraw/zinc/28/25/82/513282582.db2.gz AKFFTCSBYLQNQD-FQEVSTJZSA-N 1 2 364.493 2.507 20 30 FFEDLO COCC[NH+]1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000429212164 513306302 /nfs/dbraw/zinc/30/63/02/513306302.db2.gz NWTCLQAZVBDVEQ-UHFFFAOYSA-N 1 2 358.667 2.743 20 30 FFEDLO Cc1nc(NCc2cccc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)c2)cc[nH+]1 ZINC000434444761 513325114 /nfs/dbraw/zinc/32/51/14/513325114.db2.gz FECKFJAADBPMLP-SFHVURJKSA-N 1 2 363.465 2.973 20 30 FFEDLO CCC[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000434620375 513370668 /nfs/dbraw/zinc/37/06/68/513370668.db2.gz JJMZQJBZJPRHOP-CQSZACIVSA-N 1 2 358.410 2.559 20 30 FFEDLO CCC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000434620375 513370669 /nfs/dbraw/zinc/37/06/69/513370669.db2.gz JJMZQJBZJPRHOP-CQSZACIVSA-N 1 2 358.410 2.559 20 30 FFEDLO Cc1nc(NCC2CCC(C#N)CC2)nc(NCC2CCC(C#N)CC2)[nH+]1 ZINC000440652503 513371713 /nfs/dbraw/zinc/37/17/13/513371713.db2.gz YIYAPDDXZGJBLV-UHFFFAOYSA-N 1 2 367.501 2.508 20 30 FFEDLO Cc1c(Cl)cnc(N(CC[NH+]2CCOCC2)Cc2ccco2)c1C#N ZINC000450946468 513419889 /nfs/dbraw/zinc/41/98/89/513419889.db2.gz YZFVPZIJHAWOQE-UHFFFAOYSA-N 1 2 360.845 2.847 20 30 FFEDLO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)Nc2cc(C)[nH+]cc2C#N)cc1 ZINC000425204215 513450715 /nfs/dbraw/zinc/45/07/15/513450715.db2.gz TYSICLLXNKGODN-OAHLLOKOSA-N 1 2 372.494 2.887 20 30 FFEDLO Cc1cc(NCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C#N)c[nH+]1 ZINC000425226970 513461859 /nfs/dbraw/zinc/46/18/59/513461859.db2.gz NXXWOAKRSAWLPY-UHFFFAOYSA-N 1 2 357.479 2.867 20 30 FFEDLO N#Cc1ccc(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)cc1O ZINC000430098932 513551075 /nfs/dbraw/zinc/55/10/75/513551075.db2.gz KUBNSUJYILGYAZ-GOSISDBHSA-N 1 2 367.474 2.611 20 30 FFEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000413571247 513718764 /nfs/dbraw/zinc/71/87/64/513718764.db2.gz HJACUQMZGOQOFJ-GOSISDBHSA-N 1 2 358.486 2.832 20 30 FFEDLO N#Cc1c(NC(=O)C[N@H+]2CC[C@](O)(C(F)F)C2)sc2c1CCCCC2 ZINC000451423178 513741607 /nfs/dbraw/zinc/74/16/07/513741607.db2.gz DQJJSCIKUXMJMV-QGZVFWFLSA-N 1 2 369.437 2.529 20 30 FFEDLO N#Cc1c(NC(=O)C[N@@H+]2CC[C@](O)(C(F)F)C2)sc2c1CCCCC2 ZINC000451423178 513741612 /nfs/dbraw/zinc/74/16/12/513741612.db2.gz DQJJSCIKUXMJMV-QGZVFWFLSA-N 1 2 369.437 2.529 20 30 FFEDLO COc1ccc([C@H](NC(=O)NCC2(C#N)CCC2)c2[nH+]ccn2C)cc1 ZINC000419404040 513800087 /nfs/dbraw/zinc/80/00/87/513800087.db2.gz FDZNXRZFLMGEQF-INIZCTEOSA-N 1 2 353.426 2.511 20 30 FFEDLO C=CCC1(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCCCC1 ZINC000448630753 513819734 /nfs/dbraw/zinc/81/97/34/513819734.db2.gz RLZGWEJPLOTTEH-UHFFFAOYSA-N 1 2 368.485 2.539 20 30 FFEDLO CC(C)[C@H](NS(=O)(=O)c1ccc(CC#N)cc1Cl)c1[nH]cc[nH+]1 ZINC000451543759 513823195 /nfs/dbraw/zinc/82/31/95/513823195.db2.gz COXILVBIMJSRBC-AWEZNQCLSA-N 1 2 352.847 2.805 20 30 FFEDLO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)C(=O)Nc1ccccc1C#N ZINC000431099051 513826221 /nfs/dbraw/zinc/82/62/21/513826221.db2.gz QIIUQTIAJHWBNN-GHMZBOCLSA-N 1 2 374.242 2.789 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000413834207 513839374 /nfs/dbraw/zinc/83/93/74/513839374.db2.gz LLTXDXVNMBBNBY-SXLOBPIMSA-N 1 2 357.498 2.678 20 30 FFEDLO N#Cc1ccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000426126889 513853072 /nfs/dbraw/zinc/85/30/72/513853072.db2.gz GVLBPODRZZJQRN-OAHLLOKOSA-N 1 2 362.861 2.930 20 30 FFEDLO C[C@@H](Cc1nnc(SC[C@H](O)C[N@H+](C)CCC#N)o1)c1ccccc1 ZINC000414136133 513984676 /nfs/dbraw/zinc/98/46/76/513984676.db2.gz HQTJPMDSOVQZOJ-GOEBONIOSA-N 1 2 360.483 2.714 20 30 FFEDLO C[C@@H](Cc1nnc(SC[C@H](O)C[N@@H+](C)CCC#N)o1)c1ccccc1 ZINC000414136133 513984682 /nfs/dbraw/zinc/98/46/82/513984682.db2.gz HQTJPMDSOVQZOJ-GOEBONIOSA-N 1 2 360.483 2.714 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443639777 514011138 /nfs/dbraw/zinc/01/11/38/514011138.db2.gz LOQLZSROFDNKRJ-ZIAGYGMSSA-N 1 2 365.861 2.584 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443639777 514011141 /nfs/dbraw/zinc/01/11/41/514011141.db2.gz LOQLZSROFDNKRJ-ZIAGYGMSSA-N 1 2 365.861 2.584 20 30 FFEDLO Cc1cc(S(=O)(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)ccc1C#N ZINC000443961731 514083183 /nfs/dbraw/zinc/08/31/83/514083183.db2.gz KCBGRYNRWIHULI-UHFFFAOYSA-N 1 2 366.446 2.590 20 30 FFEDLO C=CCC[C@@H](CCC)[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000437092514 514088857 /nfs/dbraw/zinc/08/88/57/514088857.db2.gz DVOUCPDLLOFYMC-CYBMUJFWSA-N 1 2 371.469 2.572 20 30 FFEDLO Cc1cc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)c(C#N)cc1N(C)C ZINC000417130867 514184892 /nfs/dbraw/zinc/18/48/92/514184892.db2.gz PPPOUFQXGASGOG-UHFFFAOYSA-N 1 2 366.469 2.830 20 30 FFEDLO N#Cc1cncc(N2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)n1 ZINC000420579086 514190153 /nfs/dbraw/zinc/19/01/53/514190153.db2.gz AOINPYUUKFHJEM-UHFFFAOYSA-N 1 2 362.462 2.794 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000432556010 514228296 /nfs/dbraw/zinc/22/82/96/514228296.db2.gz HZMTVMBYTZRJQP-UHFFFAOYSA-N 1 2 353.813 2.855 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1C#N ZINC000437867253 514255165 /nfs/dbraw/zinc/25/51/65/514255165.db2.gz MXJOGZMKEWSVIT-HNNXBMFYSA-N 1 2 374.510 2.908 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1C#N ZINC000437867253 514255174 /nfs/dbraw/zinc/25/51/74/514255174.db2.gz MXJOGZMKEWSVIT-HNNXBMFYSA-N 1 2 374.510 2.908 20 30 FFEDLO C=CCC[C@H]([NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C(=O)OCC ZINC000449653690 514283716 /nfs/dbraw/zinc/28/37/16/514283716.db2.gz CPJRDZNDZCBSKT-INIZCTEOSA-N 1 2 371.437 2.835 20 30 FFEDLO C=CCC[C@H]([NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C(=O)OCC ZINC000449654505 514284105 /nfs/dbraw/zinc/28/41/05/514284105.db2.gz FAXUTIOLZNSZMD-HNNXBMFYSA-N 1 2 357.410 2.793 20 30 FFEDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000444778240 514329499 /nfs/dbraw/zinc/32/94/99/514329499.db2.gz VIIOJUYDNYKLEU-FQEVSTJZSA-N 1 2 363.502 2.869 20 30 FFEDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000444778240 514329505 /nfs/dbraw/zinc/32/95/05/514329505.db2.gz VIIOJUYDNYKLEU-FQEVSTJZSA-N 1 2 363.502 2.869 20 30 FFEDLO C=CCCCCNC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000444968773 514379090 /nfs/dbraw/zinc/37/90/90/514379090.db2.gz SZHGNQJHWOUJFT-UHFFFAOYSA-N 1 2 358.486 2.829 20 30 FFEDLO CCOC(=O)C[N@@H+]1CCCN(c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000428154300 514409073 /nfs/dbraw/zinc/40/90/73/514409073.db2.gz PBZOFRSURBXRKV-UHFFFAOYSA-N 1 2 370.497 2.642 20 30 FFEDLO CCOC(=O)C[N@H+]1CCCN(c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000428154300 514409078 /nfs/dbraw/zinc/40/90/78/514409078.db2.gz PBZOFRSURBXRKV-UHFFFAOYSA-N 1 2 370.497 2.642 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H](C#N)CCc2ccccc2)CC1 ZINC000433223257 514427796 /nfs/dbraw/zinc/42/77/96/514427796.db2.gz NUJKLQIMWYTOAH-IBGZPJMESA-N 1 2 366.465 2.708 20 30 FFEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)NC3CCCCC3)CC2)c(Cl)c1 ZINC000439430800 514550602 /nfs/dbraw/zinc/55/06/02/514550602.db2.gz NMSNEVLOFAXYGR-UHFFFAOYSA-N 1 2 374.916 2.778 20 30 FFEDLO N#Cc1ccc(C[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)c(Cl)c1 ZINC000439448552 514554018 /nfs/dbraw/zinc/55/40/18/514554018.db2.gz GXMQKJADACREPA-KRWDZBQOSA-N 1 2 361.873 2.815 20 30 FFEDLO N#Cc1ccc(C[N@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)c(Cl)c1 ZINC000439448552 514554026 /nfs/dbraw/zinc/55/40/26/514554026.db2.gz GXMQKJADACREPA-KRWDZBQOSA-N 1 2 361.873 2.815 20 30 FFEDLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CC1(C#N)CCC1 ZINC000450248925 514564020 /nfs/dbraw/zinc/56/40/20/514564020.db2.gz UUJHFNCGSFGIBH-INIZCTEOSA-N 1 2 358.438 2.860 20 30 FFEDLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CC1(C#N)CCC1 ZINC000450248925 514564024 /nfs/dbraw/zinc/56/40/24/514564024.db2.gz UUJHFNCGSFGIBH-INIZCTEOSA-N 1 2 358.438 2.860 20 30 FFEDLO CN(C)c1ncc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000475341825 514626380 /nfs/dbraw/zinc/62/63/80/514626380.db2.gz IDRYBIDQCCNAGZ-GOSISDBHSA-N 1 2 370.888 2.578 20 30 FFEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000484540234 514681214 /nfs/dbraw/zinc/68/12/14/514681214.db2.gz MYJHOOFPZDPGCO-QGZVFWFLSA-N 1 2 371.462 2.728 20 30 FFEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000484540234 514681221 /nfs/dbraw/zinc/68/12/21/514681221.db2.gz MYJHOOFPZDPGCO-QGZVFWFLSA-N 1 2 371.462 2.728 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)NC(=O)Nc3ccccc3)CC2)cc1 ZINC000502548739 514689497 /nfs/dbraw/zinc/68/94/97/514689497.db2.gz OGBDYVFKTCFWQT-UHFFFAOYSA-N 1 2 360.417 2.996 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NC(=O)Nc3ccccc3)CC2)cc1 ZINC000502548739 514689505 /nfs/dbraw/zinc/68/95/05/514689505.db2.gz OGBDYVFKTCFWQT-UHFFFAOYSA-N 1 2 360.417 2.996 20 30 FFEDLO CC(C)N1CCC[C@H]([NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1=O ZINC000471013344 514717485 /nfs/dbraw/zinc/71/74/85/514717485.db2.gz WIRHQTFCLCMTGZ-RBUKOAKNSA-N 1 2 374.916 2.922 20 30 FFEDLO C[C@@H](C(=O)c1c[nH]c2ncccc12)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000502703072 514747315 /nfs/dbraw/zinc/74/73/15/514747315.db2.gz VAPGUQFFJUAVDK-INIZCTEOSA-N 1 2 373.460 2.824 20 30 FFEDLO C=CCn1c(-c2cccc(Cl)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000508470586 514788348 /nfs/dbraw/zinc/78/83/48/514788348.db2.gz CPHQLKRCOIMNTC-UHFFFAOYSA-N 1 2 361.877 2.553 20 30 FFEDLO Cc1cccc(C[N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)n1 ZINC000471200307 514794340 /nfs/dbraw/zinc/79/43/40/514794340.db2.gz XQQCJCFEOFFIBO-UHFFFAOYSA-N 1 2 360.421 2.518 20 30 FFEDLO Cc1cccc(C[N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)n1 ZINC000471200307 514794349 /nfs/dbraw/zinc/79/43/49/514794349.db2.gz XQQCJCFEOFFIBO-UHFFFAOYSA-N 1 2 360.421 2.518 20 30 FFEDLO COc1ccc([C@H](NC(=O)N[C@H]2CCC[C@H]2C#N)c2[nH+]ccn2C)cc1 ZINC000461970354 514811943 /nfs/dbraw/zinc/81/19/43/514811943.db2.gz YOWPMFFWTGMJBF-XIRDDKMYSA-N 1 2 353.426 2.510 20 30 FFEDLO C=CC[C@H](C)NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000455958428 514865112 /nfs/dbraw/zinc/86/51/12/514865112.db2.gz RRGNBLIGGSQPDR-NSHDSACASA-N 1 2 369.263 2.767 20 30 FFEDLO C=CCCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000467092534 514896751 /nfs/dbraw/zinc/89/67/51/514896751.db2.gz CQLFUZOFDSBENS-IAGOWNOFSA-N 1 2 351.878 2.929 20 30 FFEDLO C=CCCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000467092534 514896757 /nfs/dbraw/zinc/89/67/57/514896757.db2.gz CQLFUZOFDSBENS-IAGOWNOFSA-N 1 2 351.878 2.929 20 30 FFEDLO CCOC(=O)c1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)[nH]c1C ZINC000485251515 514972847 /nfs/dbraw/zinc/97/28/47/514972847.db2.gz MJHPBEBIQATWBL-HXUWFJFHSA-N 1 2 366.465 2.882 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000456261543 515058748 /nfs/dbraw/zinc/05/87/48/515058748.db2.gz ZXIZQILQYHROEI-BETUJISGSA-N 1 2 357.479 2.609 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000456261543 515058755 /nfs/dbraw/zinc/05/87/55/515058755.db2.gz ZXIZQILQYHROEI-BETUJISGSA-N 1 2 357.479 2.609 20 30 FFEDLO N#CCCC[C@@H](NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000458795650 515101063 /nfs/dbraw/zinc/10/10/63/515101063.db2.gz CUGHKZFORYZQQA-GOSISDBHSA-N 1 2 366.469 2.672 20 30 FFEDLO N#CCCC[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000458796606 515101657 /nfs/dbraw/zinc/10/16/57/515101657.db2.gz FAYIGSQIGRLJDL-PMACEKPBSA-N 1 2 370.497 2.928 20 30 FFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000456355361 515122794 /nfs/dbraw/zinc/12/27/94/515122794.db2.gz OCVMSYUYUQXYIY-AWEZNQCLSA-N 1 2 353.426 2.761 20 30 FFEDLO N#Cc1ccc(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)c(F)c1 ZINC000498931724 515128480 /nfs/dbraw/zinc/12/84/80/515128480.db2.gz SMSUQGLRDKREGJ-UHFFFAOYSA-N 1 2 358.461 2.834 20 30 FFEDLO Cc1c(C#N)cccc1C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000509429543 515173752 /nfs/dbraw/zinc/17/37/52/515173752.db2.gz LKFOYXTXGXMMBM-UHFFFAOYSA-N 1 2 353.426 2.511 20 30 FFEDLO Cc1cc(C)c(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c[nH+]1 ZINC000459087096 515313052 /nfs/dbraw/zinc/31/30/52/515313052.db2.gz WPAYCQOSWCSZMB-FQEVSTJZSA-N 1 2 363.465 2.618 20 30 FFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000481504278 515352578 /nfs/dbraw/zinc/35/25/78/515352578.db2.gz JBCDAZOLYAETPD-UHFFFAOYSA-N 1 2 372.513 2.837 20 30 FFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000481504278 515352584 /nfs/dbraw/zinc/35/25/84/515352584.db2.gz JBCDAZOLYAETPD-UHFFFAOYSA-N 1 2 372.513 2.837 20 30 FFEDLO N#Cc1ccc(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000454336415 515410138 /nfs/dbraw/zinc/41/01/38/515410138.db2.gz MPLBLDMDKAXJHK-UHFFFAOYSA-N 1 2 353.401 2.561 20 30 FFEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000491367111 515419170 /nfs/dbraw/zinc/41/91/70/515419170.db2.gz KRABRODASWXAOD-UHFFFAOYSA-N 1 2 359.382 2.866 20 30 FFEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000491367111 515419179 /nfs/dbraw/zinc/41/91/79/515419179.db2.gz KRABRODASWXAOD-UHFFFAOYSA-N 1 2 359.382 2.866 20 30 FFEDLO Cc1onc(CC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C#N ZINC000499744565 515436487 /nfs/dbraw/zinc/43/64/87/515436487.db2.gz VBEVUECWXNYTEX-OKILXGFUSA-N 1 2 368.437 2.645 20 30 FFEDLO Cc1onc(CC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C#N ZINC000499744565 515436496 /nfs/dbraw/zinc/43/64/96/515436496.db2.gz VBEVUECWXNYTEX-OKILXGFUSA-N 1 2 368.437 2.645 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000459390997 515519112 /nfs/dbraw/zinc/51/91/12/515519112.db2.gz JTNADZYKYBCZAA-GOSISDBHSA-N 1 2 364.405 2.920 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)C1=O ZINC000499945122 515527876 /nfs/dbraw/zinc/52/78/76/515527876.db2.gz KPNWYSTYVXITIH-KEYYUXOJSA-N 1 2 363.889 2.624 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)C1=O ZINC000499945122 515527883 /nfs/dbraw/zinc/52/78/83/515527883.db2.gz KPNWYSTYVXITIH-KEYYUXOJSA-N 1 2 363.889 2.624 20 30 FFEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000463505455 515530608 /nfs/dbraw/zinc/53/06/08/515530608.db2.gz NUARJHORXWKTGU-UHFFFAOYSA-N 1 2 356.422 2.811 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)C1=O ZINC000499985840 515547408 /nfs/dbraw/zinc/54/74/08/515547408.db2.gz FVAQYJWDIKRADX-PBHICJAKSA-N 1 2 363.889 2.578 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)C1=O ZINC000499985840 515547415 /nfs/dbraw/zinc/54/74/15/515547415.db2.gz FVAQYJWDIKRADX-PBHICJAKSA-N 1 2 363.889 2.578 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(Cc2ccccc2)C(C)(C)C)C1=O ZINC000500013711 515558271 /nfs/dbraw/zinc/55/82/71/515558271.db2.gz LVKRDAXCPCHNIG-GOSISDBHSA-N 1 2 357.498 2.532 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(Cc2ccccc2)C(C)(C)C)C1=O ZINC000500013711 515558283 /nfs/dbraw/zinc/55/82/83/515558283.db2.gz LVKRDAXCPCHNIG-GOSISDBHSA-N 1 2 357.498 2.532 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000477813299 515602706 /nfs/dbraw/zinc/60/27/06/515602706.db2.gz DMYOEVGCVSPQNQ-UHFFFAOYSA-N 1 2 368.437 2.750 20 30 FFEDLO COc1cccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)c1 ZINC000486719155 515608277 /nfs/dbraw/zinc/60/82/77/515608277.db2.gz GITSLPYBCHZVRK-UHFFFAOYSA-N 1 2 363.461 2.762 20 30 FFEDLO C[C@H](C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1)c1cccc(C#N)c1 ZINC000463820757 515630276 /nfs/dbraw/zinc/63/02/76/515630276.db2.gz VXTIUHHHTKQSNB-AWEZNQCLSA-N 1 2 367.453 2.692 20 30 FFEDLO COC(=O)c1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000459550939 515640240 /nfs/dbraw/zinc/64/02/40/515640240.db2.gz VECSOKCOKSARKN-CQSZACIVSA-N 1 2 363.417 2.730 20 30 FFEDLO COC(=O)c1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000459550939 515640245 /nfs/dbraw/zinc/64/02/45/515640245.db2.gz VECSOKCOKSARKN-CQSZACIVSA-N 1 2 363.417 2.730 20 30 FFEDLO COCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccs1 ZINC000478012412 515667326 /nfs/dbraw/zinc/66/73/26/515667326.db2.gz BJCWYCPGNFDGEH-UHFFFAOYSA-N 1 2 364.492 2.542 20 30 FFEDLO COCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccs1 ZINC000478012412 515667330 /nfs/dbraw/zinc/66/73/30/515667330.db2.gz BJCWYCPGNFDGEH-UHFFFAOYSA-N 1 2 364.492 2.542 20 30 FFEDLO N#CCC[N@@H+](CCN1c2cccc3cccc(c23)S1(=O)=O)CC1CC1 ZINC000478020904 515671360 /nfs/dbraw/zinc/67/13/60/515671360.db2.gz DGQOYVSNRBRJJQ-UHFFFAOYSA-N 1 2 355.463 2.974 20 30 FFEDLO N#CCC[N@H+](CCN1c2cccc3cccc(c23)S1(=O)=O)CC1CC1 ZINC000478020904 515671368 /nfs/dbraw/zinc/67/13/68/515671368.db2.gz DGQOYVSNRBRJJQ-UHFFFAOYSA-N 1 2 355.463 2.974 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1csc(Br)c1 ZINC000469193770 515714140 /nfs/dbraw/zinc/71/41/40/515714140.db2.gz UEJUGCGNHKEMQE-JTQLQIEISA-N 1 2 356.289 2.893 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1csc(Br)c1 ZINC000469193770 515714148 /nfs/dbraw/zinc/71/41/48/515714148.db2.gz UEJUGCGNHKEMQE-JTQLQIEISA-N 1 2 356.289 2.893 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000506027720 515755057 /nfs/dbraw/zinc/75/50/57/515755057.db2.gz NUHHHYNXTDWQHO-UHFFFAOYSA-N 1 2 365.481 2.731 20 30 FFEDLO CCc1ccc(-c2noc([C@H](C)[NH2+][C@@H](C)C(=O)NC3(C#N)CCC3)n2)cc1 ZINC000469337925 515775091 /nfs/dbraw/zinc/77/50/91/515775091.db2.gz ZZMYOGZRBBEQNC-KBPBESRZSA-N 1 2 367.453 2.901 20 30 FFEDLO C[NH+](C)Cc1csc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)n1 ZINC000457315482 515803628 /nfs/dbraw/zinc/80/36/28/515803628.db2.gz OJZJVBNMGLYNLU-UHFFFAOYSA-N 1 2 355.345 2.742 20 30 FFEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(-c3cccc(F)c3C)o2)CC1 ZINC000506295025 515842678 /nfs/dbraw/zinc/84/26/78/515842678.db2.gz NKLYIQVFNLMRLO-UHFFFAOYSA-N 1 2 371.456 2.814 20 30 FFEDLO Cc1ccccc1-n1nccc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000474114506 515890712 /nfs/dbraw/zinc/89/07/12/515890712.db2.gz CUCJTJPJJCNMKE-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@H](CO)C3)o2)c1 ZINC000511669880 515993168 /nfs/dbraw/zinc/99/31/68/515993168.db2.gz YQQRWEPXTKLKEI-KBPBESRZSA-N 1 2 366.343 2.601 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@H](C(F)(F)F)[C@H](CO)C3)o2)c1 ZINC000511669880 515993178 /nfs/dbraw/zinc/99/31/78/515993178.db2.gz YQQRWEPXTKLKEI-KBPBESRZSA-N 1 2 366.343 2.601 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000483233862 515995322 /nfs/dbraw/zinc/99/53/22/515995322.db2.gz MCUHISQCZQBQOP-CJNGLKHVSA-N 1 2 358.269 2.671 20 30 FFEDLO C=C(C)CCNC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000455312746 516113161 /nfs/dbraw/zinc/11/31/61/516113161.db2.gz PPPNXJALZQQOFN-KRWDZBQOSA-N 1 2 358.442 2.792 20 30 FFEDLO C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507317490 516170924 /nfs/dbraw/zinc/17/09/24/516170924.db2.gz KOXDJUVOTALOCM-KRWDZBQOSA-N 1 2 354.498 2.765 20 30 FFEDLO C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1nccn1CC(F)(F)F ZINC000488388131 516210427 /nfs/dbraw/zinc/21/04/27/516210427.db2.gz FQGKGSSATMLONL-UHFFFAOYSA-N 1 2 371.388 2.839 20 30 FFEDLO C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1nccn1CC(F)(F)F ZINC000488388131 516210431 /nfs/dbraw/zinc/21/04/31/516210431.db2.gz FQGKGSSATMLONL-UHFFFAOYSA-N 1 2 371.388 2.839 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000488388838 516211817 /nfs/dbraw/zinc/21/18/17/516211817.db2.gz STZVMOVWIYESNP-SFHVURJKSA-N 1 2 350.422 2.936 20 30 FFEDLO CC(C)Cc1ccc(CCC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000501806020 516229871 /nfs/dbraw/zinc/22/98/71/516229871.db2.gz WQLGWWUOKWITJO-UHFFFAOYSA-N 1 2 371.525 2.892 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc4ccc(F)cc4[nH]3)CC2)c1C#N ZINC000488516817 516247464 /nfs/dbraw/zinc/24/74/64/516247464.db2.gz MIVKPZKYIUXYFF-UHFFFAOYSA-N 1 2 352.417 2.543 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCc1ccccc1OC ZINC000512419729 516271770 /nfs/dbraw/zinc/27/17/70/516271770.db2.gz BRNHNGWRPREOLE-MRXNPFEDSA-N 1 2 372.465 2.864 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCc1ccccc1OC ZINC000512419729 516271773 /nfs/dbraw/zinc/27/17/73/516271773.db2.gz BRNHNGWRPREOLE-MRXNPFEDSA-N 1 2 372.465 2.864 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000502188774 516317496 /nfs/dbraw/zinc/31/74/96/516317496.db2.gz WEBBLGPRMBBDQQ-GOSISDBHSA-N 1 2 361.530 2.690 20 30 FFEDLO Cc1c(C#N)cccc1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000512666429 516319712 /nfs/dbraw/zinc/31/97/12/516319712.db2.gz VRZYPAMUPFEIKP-FQEVSTJZSA-N 1 2 363.461 2.540 20 30 FFEDLO Cc1cc(=NC(=O)CCn2c3ccccc3[nH+]c2C2CC2)[nH]n1CCC#N ZINC000539914494 516351667 /nfs/dbraw/zinc/35/16/67/516351667.db2.gz DJEQXVKCTODGLE-UHFFFAOYSA-N 1 2 362.437 2.783 20 30 FFEDLO Cc1ccccc1[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528390045 516401331 /nfs/dbraw/zinc/40/13/31/516401331.db2.gz NOJIIRWQEKGLJO-NRFANRHFSA-N 1 2 374.440 2.668 20 30 FFEDLO Cc1ccccc1[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528390045 516401337 /nfs/dbraw/zinc/40/13/37/516401337.db2.gz NOJIIRWQEKGLJO-NRFANRHFSA-N 1 2 374.440 2.668 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@]2(C)CC)cc1 ZINC000535565809 516402936 /nfs/dbraw/zinc/40/29/36/516402936.db2.gz FREWYKXOPBNXGP-FQEVSTJZSA-N 1 2 359.470 2.833 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@]2(C)CC)cc1 ZINC000535565809 516402943 /nfs/dbraw/zinc/40/29/43/516402943.db2.gz FREWYKXOPBNXGP-FQEVSTJZSA-N 1 2 359.470 2.833 20 30 FFEDLO C=CCN1CC[C@@H](N(C)c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1=O ZINC000513084860 516466372 /nfs/dbraw/zinc/46/63/72/516466372.db2.gz WZXCDDQCXICGLY-MRXNPFEDSA-N 1 2 367.409 2.583 20 30 FFEDLO C=C(C)Cn1c(SCC[N@H+]2CCOC[C@H]2C)nnc1-c1ccncc1 ZINC000551086091 516557075 /nfs/dbraw/zinc/55/70/75/516557075.db2.gz IEEDITXHBTUBFN-OAHLLOKOSA-N 1 2 359.499 2.729 20 30 FFEDLO C=C(C)Cn1c(SCC[N@@H+]2CCOC[C@H]2C)nnc1-c1ccncc1 ZINC000551086091 516557081 /nfs/dbraw/zinc/55/70/81/516557081.db2.gz IEEDITXHBTUBFN-OAHLLOKOSA-N 1 2 359.499 2.729 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000536021348 516596667 /nfs/dbraw/zinc/59/66/67/516596667.db2.gz CIZFNKRSAVDHFV-KRWDZBQOSA-N 1 2 361.854 2.677 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000536021348 516596672 /nfs/dbraw/zinc/59/66/72/516596672.db2.gz CIZFNKRSAVDHFV-KRWDZBQOSA-N 1 2 361.854 2.677 20 30 FFEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000554743455 516616406 /nfs/dbraw/zinc/61/64/06/516616406.db2.gz XQBYMSMGXVMHSD-UHFFFAOYSA-N 1 2 356.495 2.619 20 30 FFEDLO N#CC1(F)CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000513519412 516659041 /nfs/dbraw/zinc/65/90/41/516659041.db2.gz IYOTVTWTQMNHKF-UHFFFAOYSA-N 1 2 351.451 2.989 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C/C=C\c1ccc(F)c(F)c1 ZINC000554858637 516669158 /nfs/dbraw/zinc/66/91/58/516669158.db2.gz RDOHHUOVIZHOPU-PYLYLYNFSA-N 1 2 355.392 2.850 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C/C=C\c1ccc(F)c(F)c1 ZINC000554858637 516669161 /nfs/dbraw/zinc/66/91/61/516669161.db2.gz RDOHHUOVIZHOPU-PYLYLYNFSA-N 1 2 355.392 2.850 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cscc2-c2ccccc2)c1C#N ZINC000554958156 516719660 /nfs/dbraw/zinc/71/96/60/516719660.db2.gz SVMAKHFTCAZKEI-UHFFFAOYSA-N 1 2 365.462 2.836 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)c2ccc(-n3cc[nH+]c3)nn2)cc1 ZINC000518688628 516742509 /nfs/dbraw/zinc/74/25/09/516742509.db2.gz IJMSYVMKTXRIIL-UHFFFAOYSA-N 1 2 362.393 2.621 20 30 FFEDLO N#Cc1csc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1 ZINC000555091721 516777681 /nfs/dbraw/zinc/77/76/81/516777681.db2.gz FOFIDHYKLMFMGK-UHFFFAOYSA-N 1 2 361.858 2.914 20 30 FFEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)Cc1ccc(C#N)nc1 ZINC000528906980 516786969 /nfs/dbraw/zinc/78/69/69/516786969.db2.gz YZCHDHZKPDFVFK-SFHVURJKSA-N 1 2 359.433 2.845 20 30 FFEDLO Cc1ccc(CCC(=O)N[C@](C)(C#N)C[NH+](C)C)c(Br)c1 ZINC000518986485 516843978 /nfs/dbraw/zinc/84/39/78/516843978.db2.gz PLVKFNCFDUMMRV-MRXNPFEDSA-N 1 2 352.276 2.650 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000532351934 516929851 /nfs/dbraw/zinc/92/98/51/516929851.db2.gz BNGIUEYHGHUQTD-FOIQADDNSA-N 1 2 371.460 2.589 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000532351934 516929861 /nfs/dbraw/zinc/92/98/61/516929861.db2.gz BNGIUEYHGHUQTD-FOIQADDNSA-N 1 2 371.460 2.589 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(Oc4ccccc4)nn3)CC2)n1 ZINC000544877078 516971553 /nfs/dbraw/zinc/97/15/53/516971553.db2.gz KNJZYTHXVAPOII-UHFFFAOYSA-N 1 2 372.432 2.858 20 30 FFEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3Cc4ccccc4C4(CC4)C3)C2=O)cc1 ZINC000548462307 517001467 /nfs/dbraw/zinc/00/14/67/517001467.db2.gz JRHQSAPBNODJNX-IBGZPJMESA-N 1 2 357.413 2.738 20 30 FFEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3Cc4ccccc4C4(CC4)C3)C2=O)cc1 ZINC000548462307 517001473 /nfs/dbraw/zinc/00/14/73/517001473.db2.gz JRHQSAPBNODJNX-IBGZPJMESA-N 1 2 357.413 2.738 20 30 FFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000514725994 517026758 /nfs/dbraw/zinc/02/67/58/517026758.db2.gz VWZFHEMWKBCYSW-JGJLBUBWSA-N 1 2 365.543 2.514 20 30 FFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000514725994 517026767 /nfs/dbraw/zinc/02/67/67/517026767.db2.gz VWZFHEMWKBCYSW-JGJLBUBWSA-N 1 2 365.543 2.514 20 30 FFEDLO C=C(C)Cn1c(-c2ccc(C)s2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000558998578 517035950 /nfs/dbraw/zinc/03/59/50/517035950.db2.gz SRVRBEGLBUALEN-UHFFFAOYSA-N 1 2 361.515 2.660 20 30 FFEDLO Cc1cc(Br)cc2c1C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CC2 ZINC000537126544 517047617 /nfs/dbraw/zinc/04/76/17/517047617.db2.gz XNMDWOUSCHZEQW-ZDUSSCGKSA-N 1 2 364.287 2.876 20 30 FFEDLO Cc1cc(Br)cc2c1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CC2 ZINC000537126544 517047627 /nfs/dbraw/zinc/04/76/27/517047627.db2.gz XNMDWOUSCHZEQW-ZDUSSCGKSA-N 1 2 364.287 2.876 20 30 FFEDLO CCOC(=O)C[N@@H+]1CCCN(c2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000519603109 517072642 /nfs/dbraw/zinc/07/26/42/517072642.db2.gz ZSHXBILHYLFZFN-UHFFFAOYSA-N 1 2 372.856 2.835 20 30 FFEDLO CCOC(=O)C[N@H+]1CCCN(c2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000519603109 517072651 /nfs/dbraw/zinc/07/26/51/517072651.db2.gz ZSHXBILHYLFZFN-UHFFFAOYSA-N 1 2 372.856 2.835 20 30 FFEDLO CSCc1cnc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 ZINC000559301196 517165157 /nfs/dbraw/zinc/16/51/57/517165157.db2.gz XRBHPIIEMVGVNQ-INIZCTEOSA-N 1 2 372.519 2.768 20 30 FFEDLO N#Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)ccc1OC(F)(F)F ZINC000515201567 517252691 /nfs/dbraw/zinc/25/26/91/517252691.db2.gz CNKMVHPUWPUSJJ-UHFFFAOYSA-N 1 2 374.282 2.685 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C#N ZINC000541894606 517279821 /nfs/dbraw/zinc/27/98/21/517279821.db2.gz PTMAKNKBFFLALT-OLZOCXBDSA-N 1 2 374.510 2.764 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C#N ZINC000541894606 517279827 /nfs/dbraw/zinc/27/98/27/517279827.db2.gz PTMAKNKBFFLALT-OLZOCXBDSA-N 1 2 374.510 2.764 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)c1C#N ZINC000515325619 517298715 /nfs/dbraw/zinc/29/87/15/517298715.db2.gz XGTXNKFDXUGJED-UHFFFAOYSA-N 1 2 364.478 2.831 20 30 FFEDLO Cc1ccc(-c2noc([C@H](C)[NH2+][C@H](C)C(=O)NC3(C#N)CCC3)n2)cc1F ZINC000526057794 517317434 /nfs/dbraw/zinc/31/74/34/517317434.db2.gz JEFLSMIRTRDNJW-OLZOCXBDSA-N 1 2 371.416 2.786 20 30 FFEDLO N#CCC1CCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CC1 ZINC000541976676 517317360 /nfs/dbraw/zinc/31/73/60/517317360.db2.gz GAXNCGAYDNAOAD-UHFFFAOYSA-N 1 2 365.437 2.678 20 30 FFEDLO Cc1ncc(C[NH+]2CCN(C(=O)C3(c4cccc(C#N)c4)CC3)CC2)s1 ZINC000533258988 517370499 /nfs/dbraw/zinc/37/04/99/517370499.db2.gz RJFRPGRFUCKETM-UHFFFAOYSA-N 1 2 366.490 2.699 20 30 FFEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@@H]2C)nnc1-c1cccc(OC)c1 ZINC000556336353 517375140 /nfs/dbraw/zinc/37/51/40/517375140.db2.gz IWRMNZFLBNGGTJ-HNNXBMFYSA-N 1 2 374.510 2.953 20 30 FFEDLO C=CCn1c(SCC[N@H+]2CCOC[C@@H]2C)nnc1-c1cccc(OC)c1 ZINC000556336353 517375150 /nfs/dbraw/zinc/37/51/50/517375150.db2.gz IWRMNZFLBNGGTJ-HNNXBMFYSA-N 1 2 374.510 2.953 20 30 FFEDLO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1c(F)cccc1F ZINC000538129341 517474916 /nfs/dbraw/zinc/47/49/16/517474916.db2.gz JQOFFGLRMALXBB-LBPRGKRZSA-N 1 2 350.390 2.961 20 30 FFEDLO Cc1c[nH+]c2cc(C(=O)N3CCCN(c4ccccc4C#N)CC3)ccn12 ZINC000515867090 517499659 /nfs/dbraw/zinc/49/96/59/517499659.db2.gz OTXQFSJHXUJYKV-UHFFFAOYSA-N 1 2 359.433 2.867 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc(F)c(C#N)c3)c[nH+]2)C[C@H](C)O1 ZINC000560065649 517559584 /nfs/dbraw/zinc/55/95/84/517559584.db2.gz WMBGRWLYBHNHII-KBPBESRZSA-N 1 2 368.412 2.636 20 30 FFEDLO Cc1ccnc([C@@H]2CC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)c1 ZINC000516311000 517654819 /nfs/dbraw/zinc/65/48/19/517654819.db2.gz QCRLPSOKGXIBPV-QGZVFWFLSA-N 1 2 355.463 2.525 20 30 FFEDLO Cc1ccnc([C@@H]2CC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)c1 ZINC000516311000 517654830 /nfs/dbraw/zinc/65/48/30/517654830.db2.gz QCRLPSOKGXIBPV-QGZVFWFLSA-N 1 2 355.463 2.525 20 30 FFEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)N=c1cc(C)n(CCC#N)[nH]1 ZINC000538814987 517791550 /nfs/dbraw/zinc/79/15/50/517791550.db2.gz ZGZQRPLBJAWWFA-UHFFFAOYSA-N 1 2 364.453 2.858 20 30 FFEDLO CO[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000527686701 517845705 /nfs/dbraw/zinc/84/57/05/517845705.db2.gz INQOMQUVUQQTBT-FQEVSTJZSA-N 1 2 367.424 2.729 20 30 FFEDLO C=CC[N@H+](CCc1ccccc1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000550095046 517858298 /nfs/dbraw/zinc/85/82/98/517858298.db2.gz OJLYSQVDJIVDNS-UHFFFAOYSA-N 1 2 355.463 2.739 20 30 FFEDLO C=CC[N@@H+](CCc1ccccc1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000550095046 517858307 /nfs/dbraw/zinc/85/83/07/517858307.db2.gz OJLYSQVDJIVDNS-UHFFFAOYSA-N 1 2 355.463 2.739 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3ncc(-c4cccs4)o3)CC2)n1 ZINC000546917357 517919766 /nfs/dbraw/zinc/91/97/66/517919766.db2.gz VXNPNRLYNGBYCV-UHFFFAOYSA-N 1 2 351.435 2.992 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNc3nccc(C#N)c3Cl)c[nH+]2)C[C@H](C)O1 ZINC000557495249 518036991 /nfs/dbraw/zinc/03/69/91/518036991.db2.gz XJJWJPIXZBFUMO-BETUJISGSA-N 1 2 357.845 2.649 20 30 FFEDLO Cc1cn2cc(NC(=O)CCc3c(C)nn(CCC#N)c3C)ccc2[nH+]1 ZINC000522251593 518047266 /nfs/dbraw/zinc/04/72/66/518047266.db2.gz MQIJOCNSAMBZBG-UHFFFAOYSA-N 1 2 350.426 2.941 20 30 FFEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000550489546 518083752 /nfs/dbraw/zinc/08/37/52/518083752.db2.gz OBHZHOSMRIGZAU-LLVKDONJSA-N 1 2 356.207 2.573 20 30 FFEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000550489546 518083763 /nfs/dbraw/zinc/08/37/63/518083763.db2.gz OBHZHOSMRIGZAU-LLVKDONJSA-N 1 2 356.207 2.573 20 30 FFEDLO C=CCc1ccc(OCC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(OC)c1 ZINC000522722536 518155304 /nfs/dbraw/zinc/15/53/04/518155304.db2.gz NEUBEBYZDYIWAM-UHFFFAOYSA-N 1 2 355.438 2.932 20 30 FFEDLO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000581333549 518235002 /nfs/dbraw/zinc/23/50/02/518235002.db2.gz KYADOFYAMKOHTN-UHFFFAOYSA-N 1 2 370.453 2.931 20 30 FFEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000581333549 518235008 /nfs/dbraw/zinc/23/50/08/518235008.db2.gz KYADOFYAMKOHTN-UHFFFAOYSA-N 1 2 370.453 2.931 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000572728563 518334244 /nfs/dbraw/zinc/33/42/44/518334244.db2.gz VFTYSWDWFGTQQC-RHSMWYFYSA-N 1 2 372.444 2.626 20 30 FFEDLO Cc1c[nH]c(C(C)(C)NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)[nH+]1 ZINC000570051477 518419796 /nfs/dbraw/zinc/41/97/96/518419796.db2.gz QIBQUXZHJSNMHK-AWEZNQCLSA-N 1 2 355.417 2.607 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000578922122 518436965 /nfs/dbraw/zinc/43/69/65/518436965.db2.gz NPVRDAJGRUILGV-TZIWHRDSSA-N 1 2 361.445 2.909 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000578922122 518436971 /nfs/dbraw/zinc/43/69/71/518436971.db2.gz NPVRDAJGRUILGV-TZIWHRDSSA-N 1 2 361.445 2.909 20 30 FFEDLO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000564556242 518501625 /nfs/dbraw/zinc/50/16/25/518501625.db2.gz PVIMTEMHCBSWMU-IUODEOHRSA-N 1 2 366.343 2.724 20 30 FFEDLO FC(F)(F)c1ccc(C#CCN2CCC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000567517236 518565981 /nfs/dbraw/zinc/56/59/81/518565981.db2.gz VQOPAQGNOSPGEJ-GOSISDBHSA-N 1 2 352.400 2.854 20 30 FFEDLO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1nc(C(C)(C)C)no1 ZINC000573407422 518647562 /nfs/dbraw/zinc/64/75/62/518647562.db2.gz NABLYLZLKRMTNX-UKRRQHHQSA-N 1 2 358.442 2.524 20 30 FFEDLO C=C[C@H](CC(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1)c1ccccc1 ZINC000573471724 518681511 /nfs/dbraw/zinc/68/15/11/518681511.db2.gz IZUDXPCFQNYKFK-AEFFLSMTSA-N 1 2 353.466 2.517 20 30 FFEDLO Cc1nsc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)c1C#N ZINC000587977113 518690272 /nfs/dbraw/zinc/69/02/72/518690272.db2.gz CFIRECFLHADIOH-INIZCTEOSA-N 1 2 362.886 2.832 20 30 FFEDLO N#CCc1ccc(CNC(=O)Nc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000567766916 518699680 /nfs/dbraw/zinc/69/96/80/518699680.db2.gz ZPKZDOYNKSKKDI-UHFFFAOYSA-N 1 2 364.449 2.907 20 30 FFEDLO CC[C@](C)(C(=O)OC)[N@@H+](Cc1cccc(C(=O)OC)c1C#N)CC1CC1 ZINC000570712264 518743948 /nfs/dbraw/zinc/74/39/48/518743948.db2.gz SOKUKJBSQHUREQ-HXUWFJFHSA-N 1 2 358.438 2.899 20 30 FFEDLO CC[C@](C)(C(=O)OC)[N@H+](Cc1cccc(C(=O)OC)c1C#N)CC1CC1 ZINC000570712264 518743955 /nfs/dbraw/zinc/74/39/55/518743955.db2.gz SOKUKJBSQHUREQ-HXUWFJFHSA-N 1 2 358.438 2.899 20 30 FFEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000582495523 518782690 /nfs/dbraw/zinc/78/26/90/518782690.db2.gz LAFOXDAXKKYYCP-LLVKDONJSA-N 1 2 357.195 2.512 20 30 FFEDLO COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000570816883 518796196 /nfs/dbraw/zinc/79/61/96/518796196.db2.gz XWUOVGGKWFBPLU-OAHLLOKOSA-N 1 2 351.410 2.595 20 30 FFEDLO Cc1ccc([C@@]2(C)CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C2)cc1 ZINC000588967772 518884082 /nfs/dbraw/zinc/88/40/82/518884082.db2.gz STWWSJIHIPDPQW-FQEVSTJZSA-N 1 2 369.490 2.699 20 30 FFEDLO Cc1ccc([C@@]2(C)CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C2)cc1 ZINC000588967772 518884091 /nfs/dbraw/zinc/88/40/91/518884091.db2.gz STWWSJIHIPDPQW-FQEVSTJZSA-N 1 2 369.490 2.699 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000582729326 518893414 /nfs/dbraw/zinc/89/34/14/518893414.db2.gz ANKUTOSUEDUZKL-LAUBAEHRSA-N 1 2 355.482 2.965 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000582729326 518893421 /nfs/dbraw/zinc/89/34/21/518893421.db2.gz ANKUTOSUEDUZKL-LAUBAEHRSA-N 1 2 355.482 2.965 20 30 FFEDLO C[C@H]1CN(c2nc3c(cc2C#N)CCCC3(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000565398915 518933393 /nfs/dbraw/zinc/93/33/93/518933393.db2.gz VJQOOOOLRUVBSA-YJBOKZPZSA-N 1 2 354.498 2.724 20 30 FFEDLO C[C@H]1CN(c2nc3c(cc2C#N)CCCC3(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000565398913 518934026 /nfs/dbraw/zinc/93/40/26/518934026.db2.gz VJQOOOOLRUVBSA-MAUKXSAKSA-N 1 2 354.498 2.724 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3ccncc3)C2)c1 ZINC000565403634 518936310 /nfs/dbraw/zinc/93/63/10/518936310.db2.gz QNYNOBWTBTYEEW-GOSISDBHSA-N 1 2 355.463 2.607 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3ccncc3)C2)c1 ZINC000565403634 518936315 /nfs/dbraw/zinc/93/63/15/518936315.db2.gz QNYNOBWTBTYEEW-GOSISDBHSA-N 1 2 355.463 2.607 20 30 FFEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000582828752 518940798 /nfs/dbraw/zinc/94/07/98/518940798.db2.gz XHCUSFQUXLMQGL-RHSMWYFYSA-N 1 2 353.426 2.619 20 30 FFEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2nnc(CC(C)C)s2)cc1C#N ZINC000589267115 518968216 /nfs/dbraw/zinc/96/82/16/518968216.db2.gz MXGYDUVSULEGDB-UHFFFAOYSA-N 1 2 373.482 2.687 20 30 FFEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2nnc(CC(C)C)s2)cc1C#N ZINC000589267115 518968220 /nfs/dbraw/zinc/96/82/20/518968220.db2.gz MXGYDUVSULEGDB-UHFFFAOYSA-N 1 2 373.482 2.687 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000580064175 518988909 /nfs/dbraw/zinc/98/89/09/518988909.db2.gz OIJDZBXGYXZRGC-SQNIBIBYSA-N 1 2 355.438 2.616 20 30 FFEDLO CC[C@H](C(=O)OC)N1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000589516751 519023011 /nfs/dbraw/zinc/02/30/11/519023011.db2.gz WOVBMBQKPQPYNA-MRXNPFEDSA-N 1 2 369.387 2.646 20 30 FFEDLO C=CCCC1(C(=O)NC[C@H]2CN(C(=O)C3(CCC=C)CC3)CC[N@H+]2C)CC1 ZINC000574333466 519104917 /nfs/dbraw/zinc/10/49/17/519104917.db2.gz UTQBMFVZWQNMSI-SFHVURJKSA-N 1 2 373.541 2.738 20 30 FFEDLO C=CCCC1(C(=O)NC[C@H]2CN(C(=O)C3(CCC=C)CC3)CC[N@@H+]2C)CC1 ZINC000574333466 519104921 /nfs/dbraw/zinc/10/49/21/519104921.db2.gz UTQBMFVZWQNMSI-SFHVURJKSA-N 1 2 373.541 2.738 20 30 FFEDLO CC(=O)CCc1ccc2oc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(C)c2c1 ZINC000583206292 519130196 /nfs/dbraw/zinc/13/01/96/519130196.db2.gz HTAJKTAAOLZLLQ-FQEVSTJZSA-N 1 2 355.438 2.837 20 30 FFEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C[C@H]1C(=O)OC(C)(C)C ZINC000583260319 519159335 /nfs/dbraw/zinc/15/93/35/519159335.db2.gz OLIWISADIMQPRJ-TZMCWYRMSA-N 1 2 363.483 2.858 20 30 FFEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C[C@H]1C(=O)OC(C)(C)C ZINC000583260319 519159342 /nfs/dbraw/zinc/15/93/42/519159342.db2.gz OLIWISADIMQPRJ-TZMCWYRMSA-N 1 2 363.483 2.858 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000583417795 519234524 /nfs/dbraw/zinc/23/45/24/519234524.db2.gz YGHXPRVFUDMJOO-CXAGYDPISA-N 1 2 354.385 2.573 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000583417795 519234531 /nfs/dbraw/zinc/23/45/31/519234531.db2.gz YGHXPRVFUDMJOO-CXAGYDPISA-N 1 2 354.385 2.573 20 30 FFEDLO C[N@@H+]1CCO[C@H](CSc2nc3c(c(C#N)c2C#N)CCCCCC3)C1 ZINC000566006478 519243832 /nfs/dbraw/zinc/24/38/32/519243832.db2.gz FISZYHSZOJPSDP-AWEZNQCLSA-N 1 2 356.495 2.907 20 30 FFEDLO C[N@H+]1CCO[C@H](CSc2nc3c(c(C#N)c2C#N)CCCCCC3)C1 ZINC000566006478 519243841 /nfs/dbraw/zinc/24/38/41/519243841.db2.gz FISZYHSZOJPSDP-AWEZNQCLSA-N 1 2 356.495 2.907 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)c(OC(F)F)c1 ZINC000566045956 519262459 /nfs/dbraw/zinc/26/24/59/519262459.db2.gz QSCSOQUCWIGYRH-UHFFFAOYSA-N 1 2 374.391 2.885 20 30 FFEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000590832451 519391582 /nfs/dbraw/zinc/39/15/82/519391582.db2.gz SGXLLPVHPPMEIN-HKUYNNGSSA-N 1 2 370.497 2.913 20 30 FFEDLO C[NH+](C)Cc1csc(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)n1 ZINC000590894637 519424513 /nfs/dbraw/zinc/42/45/13/519424513.db2.gz UKWWEJBBWHLLMK-INIZCTEOSA-N 1 2 355.467 2.684 20 30 FFEDLO Cc1cc(NC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)n(CCC#N)n1 ZINC000569235900 519448677 /nfs/dbraw/zinc/44/86/77/519448677.db2.gz SAYSIVBTEQLGHJ-NSHDSACASA-N 1 2 354.336 2.513 20 30 FFEDLO N#Cc1ccccc1NC(=O)CC[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000591037733 519487866 /nfs/dbraw/zinc/48/78/66/519487866.db2.gz RVEZWFBXMWEIDJ-UHFFFAOYSA-N 1 2 361.352 2.876 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)C1CC1 ZINC000591051415 519492069 /nfs/dbraw/zinc/49/20/69/519492069.db2.gz WIIYPLDOWRCLSS-UXHICEINSA-N 1 2 353.466 2.649 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)C1CC1 ZINC000591051415 519492074 /nfs/dbraw/zinc/49/20/74/519492074.db2.gz WIIYPLDOWRCLSS-UXHICEINSA-N 1 2 353.466 2.649 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@@H+]2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000566577623 519559384 /nfs/dbraw/zinc/55/93/84/519559384.db2.gz PHBNNOPIBGGXSI-IRXDYDNUSA-N 1 2 351.410 2.582 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@H+]2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000566577623 519559396 /nfs/dbraw/zinc/55/93/96/519559396.db2.gz PHBNNOPIBGGXSI-IRXDYDNUSA-N 1 2 351.410 2.582 20 30 FFEDLO N#CCC(=O)N1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000581258399 519603157 /nfs/dbraw/zinc/60/31/57/519603157.db2.gz DABIHIYOLJKZOF-INIZCTEOSA-N 1 2 362.271 2.884 20 30 FFEDLO C[C@H](O)C[N@@H+]1CCN(c2c(Br)cc(Cl)cc2C#N)C[C@@H]1C ZINC000584149628 519612504 /nfs/dbraw/zinc/61/25/04/519612504.db2.gz BETQOTKXWASHIS-QWRGUYRKSA-N 1 2 372.694 2.865 20 30 FFEDLO C[C@H](O)C[N@H+]1CCN(c2c(Br)cc(Cl)cc2C#N)C[C@@H]1C ZINC000584149628 519612509 /nfs/dbraw/zinc/61/25/09/519612509.db2.gz BETQOTKXWASHIS-QWRGUYRKSA-N 1 2 372.694 2.865 20 30 FFEDLO C[C@H](CC#N)C(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000597273177 519923477 /nfs/dbraw/zinc/92/34/77/519923477.db2.gz HAVRYLUAYFFOAL-CQSZACIVSA-N 1 2 359.861 2.572 20 30 FFEDLO C[C@H](CC#N)C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000597273177 519923483 /nfs/dbraw/zinc/92/34/83/519923483.db2.gz HAVRYLUAYFFOAL-CQSZACIVSA-N 1 2 359.861 2.572 20 30 FFEDLO COC(=O)c1ccc(-c2nc(C[N@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)co2)cc1 ZINC000602853898 519926307 /nfs/dbraw/zinc/92/63/07/519926307.db2.gz MQFUPKZYKCEFGA-GASCZTMLSA-N 1 2 368.437 2.546 20 30 FFEDLO COC(=O)c1ccc(-c2nc(C[N@@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)co2)cc1 ZINC000602853898 519926316 /nfs/dbraw/zinc/92/63/16/519926316.db2.gz MQFUPKZYKCEFGA-GASCZTMLSA-N 1 2 368.437 2.546 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000602857661 519928292 /nfs/dbraw/zinc/92/82/92/519928292.db2.gz XHIQKWALMLNXHN-SFHVURJKSA-N 1 2 355.463 2.607 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000602857661 519928299 /nfs/dbraw/zinc/92/82/99/519928299.db2.gz XHIQKWALMLNXHN-SFHVURJKSA-N 1 2 355.463 2.607 20 30 FFEDLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857021 519929943 /nfs/dbraw/zinc/92/99/43/519929943.db2.gz NXWYFPRLYOCUIY-HLLBOEOZSA-N 1 2 360.527 2.502 20 30 FFEDLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857021 519929953 /nfs/dbraw/zinc/92/99/53/519929953.db2.gz NXWYFPRLYOCUIY-HLLBOEOZSA-N 1 2 360.527 2.502 20 30 FFEDLO Cc1ccc(S(=O)(=O)N[C@H](C[NH2+][C@@H](C)CC#N)c2ccccc2)cc1 ZINC000602869971 519937210 /nfs/dbraw/zinc/93/72/10/519937210.db2.gz RGFUBYNUCUQBNL-QFBILLFUSA-N 1 2 357.479 2.906 20 30 FFEDLO N#Cc1csc(C[N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)n1 ZINC000602889184 519950322 /nfs/dbraw/zinc/95/03/22/519950322.db2.gz XZZWEJOHXQZUQU-GFCCVEGCSA-N 1 2 365.256 2.826 20 30 FFEDLO N#Cc1csc(C[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)n1 ZINC000602889184 519950331 /nfs/dbraw/zinc/95/03/31/519950331.db2.gz XZZWEJOHXQZUQU-GFCCVEGCSA-N 1 2 365.256 2.826 20 30 FFEDLO COC(=O)c1cccc(C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)c1C#N ZINC000602899855 519959646 /nfs/dbraw/zinc/95/96/46/519959646.db2.gz BBSHFEYBXHZRMB-LJQANCHMSA-N 1 2 365.433 2.733 20 30 FFEDLO COc1ccc(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1OCCCC#N ZINC000594508335 520006224 /nfs/dbraw/zinc/00/62/24/520006224.db2.gz BGJVNTFYVBXPCP-MRXNPFEDSA-N 1 2 371.441 2.637 20 30 FFEDLO CCN(C)c1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1 ZINC000616726660 520104789 /nfs/dbraw/zinc/10/47/89/520104789.db2.gz PPLLRMHGCKSYBX-UHFFFAOYSA-N 1 2 366.469 2.597 20 30 FFEDLO CC(=O)Nc1cccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000608779701 520123643 /nfs/dbraw/zinc/12/36/43/520123643.db2.gz WRTAHLADLRVHLS-UHFFFAOYSA-N 1 2 365.437 2.704 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000594750938 520133406 /nfs/dbraw/zinc/13/34/06/520133406.db2.gz RCUZLRPFLHBEOG-CYBMUJFWSA-N 1 2 361.492 2.596 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000594750938 520133414 /nfs/dbraw/zinc/13/34/14/520133414.db2.gz RCUZLRPFLHBEOG-CYBMUJFWSA-N 1 2 361.492 2.596 20 30 FFEDLO CCN(CC)c1ccc(CNS(=O)(=O)Cc2ccc(CC#N)cc2)c[nH+]1 ZINC000592017765 520137545 /nfs/dbraw/zinc/13/75/45/520137545.db2.gz XOYAEALRCXOXDZ-UHFFFAOYSA-N 1 2 372.494 2.613 20 30 FFEDLO COCC[N@H+](C)Cc1cn(Cc2ccc(-c3ccccc3C#N)cc2)nn1 ZINC000603189097 520147805 /nfs/dbraw/zinc/14/78/05/520147805.db2.gz GKGXAKKDXYPGSV-UHFFFAOYSA-N 1 2 361.449 2.943 20 30 FFEDLO COCC[N@@H+](C)Cc1cn(Cc2ccc(-c3ccccc3C#N)cc2)nn1 ZINC000603189097 520147813 /nfs/dbraw/zinc/14/78/13/520147813.db2.gz GKGXAKKDXYPGSV-UHFFFAOYSA-N 1 2 361.449 2.943 20 30 FFEDLO C[N@@H+](Cc1ccncc1C#N)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000592070865 520166063 /nfs/dbraw/zinc/16/60/63/520166063.db2.gz RTFQQCKNWCRGKD-MRXNPFEDSA-N 1 2 365.355 2.844 20 30 FFEDLO C[N@H+](Cc1ccncc1C#N)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000592070865 520166068 /nfs/dbraw/zinc/16/60/68/520166068.db2.gz RTFQQCKNWCRGKD-MRXNPFEDSA-N 1 2 365.355 2.844 20 30 FFEDLO N#Cc1cc(NCc2ccc(N3CCCC3)[nH+]c2)ncc1Br ZINC000603273041 520191509 /nfs/dbraw/zinc/19/15/09/520191509.db2.gz UQJQVYPPRURJMT-UHFFFAOYSA-N 1 2 358.243 2.745 20 30 FFEDLO Cc1[nH+]c2cc(NC(=O)CC3(C#N)CCOCC3)ccc2n1[C@H](C)CO ZINC000597732126 520204195 /nfs/dbraw/zinc/20/41/95/520204195.db2.gz ISLHLVOBYGHUOF-CYBMUJFWSA-N 1 2 356.426 2.547 20 30 FFEDLO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CC[C@@](O)(CC#N)C2)o1 ZINC000592148609 520226179 /nfs/dbraw/zinc/22/61/79/520226179.db2.gz XOWFMVMYXDNNRY-IBGZPJMESA-N 1 2 365.393 2.551 20 30 FFEDLO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CC[C@@](O)(CC#N)C2)o1 ZINC000592148609 520226189 /nfs/dbraw/zinc/22/61/89/520226189.db2.gz XOWFMVMYXDNNRY-IBGZPJMESA-N 1 2 365.393 2.551 20 30 FFEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C)cc1 ZINC000600420170 520249030 /nfs/dbraw/zinc/24/90/30/520249030.db2.gz JSKZZVLRHMYISH-SFHVURJKSA-N 1 2 365.433 2.719 20 30 FFEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C)cc1 ZINC000600420170 520249038 /nfs/dbraw/zinc/24/90/38/520249038.db2.gz JSKZZVLRHMYISH-SFHVURJKSA-N 1 2 365.433 2.719 20 30 FFEDLO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCCC2)C(=O)Nc1cccc(C#N)c1 ZINC000613063208 520297962 /nfs/dbraw/zinc/29/79/62/520297962.db2.gz SCZSCOADVIKWRX-ZIAGYGMSSA-N 1 2 352.442 2.554 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000609484308 520327179 /nfs/dbraw/zinc/32/71/79/520327179.db2.gz AHICNQXZSSKSBD-FCEWJHQRSA-N 1 2 360.477 2.557 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000609484297 520327260 /nfs/dbraw/zinc/32/72/60/520327260.db2.gz ACCUHJGUOSQOLO-XLIONFOSSA-N 1 2 354.498 2.520 20 30 FFEDLO CCc1ccc([C@@H](C)NC(=O)C[NH+]2CCN([C@H](C#N)C(C)C)CC2)cc1 ZINC000609487155 520330588 /nfs/dbraw/zinc/33/05/88/520330588.db2.gz XOUGCGHZTFVVAP-YLJYHZDGSA-N 1 2 356.514 2.592 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000609537976 520347957 /nfs/dbraw/zinc/34/79/57/520347957.db2.gz GQVLIBKJDGWGPI-BZSNNMDCSA-N 1 2 374.554 2.966 20 30 FFEDLO Cc1cccc(C[NH+]2CCN(C(=O)CSc3cc(C#N)ccn3)CC2)c1 ZINC000603725046 520349146 /nfs/dbraw/zinc/34/91/46/520349146.db2.gz KBFFERUYXWXUMG-UHFFFAOYSA-N 1 2 366.490 2.698 20 30 FFEDLO Cc1cc(NC(=O)C(=O)N2CC[C@@](C)(C#N)C2)ccc1Oc1cc[nH+]cc1 ZINC000595213030 520352897 /nfs/dbraw/zinc/35/28/97/520352897.db2.gz PYTACOVQXRXZDF-FQEVSTJZSA-N 1 2 364.405 2.883 20 30 FFEDLO CCCC(=O)NC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000603878496 520388330 /nfs/dbraw/zinc/38/83/30/520388330.db2.gz QLCGZTKFTPJJMX-UHFFFAOYSA-N 1 2 362.861 2.531 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](C)C[C@@H](C)C#N)c1CN(C)C[C@H](C)C#N ZINC000595302645 520395786 /nfs/dbraw/zinc/39/57/86/520395786.db2.gz WJWGPQLFPXZTTA-JKSUJKDBSA-N 1 2 356.470 2.656 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](C)C[C@@H](C)C#N)c1CN(C)C[C@H](C)C#N ZINC000595302645 520395791 /nfs/dbraw/zinc/39/57/91/520395791.db2.gz WJWGPQLFPXZTTA-JKSUJKDBSA-N 1 2 356.470 2.656 20 30 FFEDLO CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000595333044 520412333 /nfs/dbraw/zinc/41/23/33/520412333.db2.gz IUBVMXJBXZOEOX-VQTJNVASSA-N 1 2 369.490 2.866 20 30 FFEDLO CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000595333044 520412344 /nfs/dbraw/zinc/41/23/44/520412344.db2.gz IUBVMXJBXZOEOX-VQTJNVASSA-N 1 2 369.490 2.866 20 30 FFEDLO C=CCCSCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000595422643 520460875 /nfs/dbraw/zinc/46/08/75/520460875.db2.gz ISPTYCKTRLGQQL-HNNXBMFYSA-N 1 2 369.556 2.730 20 30 FFEDLO CC[C@H](C(=O)N1CCc2c(CC#N)cccc2C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000600790112 520471397 /nfs/dbraw/zinc/47/13/97/520471397.db2.gz VWRLUZYRHHAYEP-AZUAARDMSA-N 1 2 355.482 2.527 20 30 FFEDLO CC[C@H](C(=O)N1CCc2c(CC#N)cccc2C1)[N@H+]1CCO[C@@H](CC)C1 ZINC000600790112 520471402 /nfs/dbraw/zinc/47/14/02/520471402.db2.gz VWRLUZYRHHAYEP-AZUAARDMSA-N 1 2 355.482 2.527 20 30 FFEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3C[C@@H]4CCCC[C@H]4NC3=O)CC2)c(Cl)c1 ZINC000595463804 520487862 /nfs/dbraw/zinc/48/78/62/520487862.db2.gz AAMZPOXFXCVWFY-KVSKMBFKSA-N 1 2 372.900 2.781 20 30 FFEDLO CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000600829006 520491797 /nfs/dbraw/zinc/49/17/97/520491797.db2.gz FCIAJEIAHZNXGG-BEFAXECRSA-N 1 2 360.477 2.701 20 30 FFEDLO N#Cc1ccc(N2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)CC2)c(F)c1 ZINC000610026969 520512233 /nfs/dbraw/zinc/51/22/33/520512233.db2.gz SWVMEUOHFUSQOR-UHFFFAOYSA-N 1 2 364.384 2.699 20 30 FFEDLO COc1cc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c(OC)cc1Cl ZINC000595617560 520596343 /nfs/dbraw/zinc/59/63/43/520596343.db2.gz WWWKKTGHBMQQPU-LBPRGKRZSA-N 1 2 351.834 2.921 20 30 FFEDLO COc1cc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c(OC)cc1Cl ZINC000595617560 520596347 /nfs/dbraw/zinc/59/63/47/520596347.db2.gz WWWKKTGHBMQQPU-LBPRGKRZSA-N 1 2 351.834 2.921 20 30 FFEDLO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595617549 520596885 /nfs/dbraw/zinc/59/68/85/520596885.db2.gz WVNMWZHBZFEIPY-HIFRSBDPSA-N 1 2 358.442 2.606 20 30 FFEDLO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595617549 520596892 /nfs/dbraw/zinc/59/68/92/520596892.db2.gz WVNMWZHBZFEIPY-HIFRSBDPSA-N 1 2 358.442 2.606 20 30 FFEDLO N#Cc1sccc1N1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000595633115 520611810 /nfs/dbraw/zinc/61/18/10/520611810.db2.gz MRGIZJMYGBKCON-UHFFFAOYSA-N 1 2 366.490 2.721 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000610268908 520614389 /nfs/dbraw/zinc/61/43/89/520614389.db2.gz QWWQLKOTZPWYIQ-GOSISDBHSA-N 1 2 366.446 2.554 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000610268821 520614802 /nfs/dbraw/zinc/61/48/02/520614802.db2.gz ITQIIGRARQRYBU-GOSISDBHSA-N 1 2 366.446 2.554 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000595660758 520628439 /nfs/dbraw/zinc/62/84/39/520628439.db2.gz VZIDDYWOTHSEIN-CYBMUJFWSA-N 1 2 369.296 2.876 20 30 FFEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3cccc(Cl)c3C#N)CC2)C1 ZINC000610339623 520642287 /nfs/dbraw/zinc/64/22/87/520642287.db2.gz HBKVMGONKRCROQ-HZPDHXFCSA-N 1 2 374.916 2.838 20 30 FFEDLO Cc1noc(C2CC[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)CC2)n1 ZINC000610367787 520651876 /nfs/dbraw/zinc/65/18/76/520651876.db2.gz DBUPOVBDAYUPQF-UHFFFAOYSA-N 1 2 350.382 2.679 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCc2nc(-c3ccccc3)sc2C1)C1CC1 ZINC000595715153 520668737 /nfs/dbraw/zinc/66/87/37/520668737.db2.gz RNTXYWKOKFOWDB-FQEVSTJZSA-N 1 2 366.490 2.977 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCc2nc(-c3ccccc3)sc2C1)C1CC1 ZINC000595715153 520668744 /nfs/dbraw/zinc/66/87/44/520668744.db2.gz RNTXYWKOKFOWDB-FQEVSTJZSA-N 1 2 366.490 2.977 20 30 FFEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)[C@H]2CCCC[C@@H]12 ZINC000595741250 520689050 /nfs/dbraw/zinc/68/90/50/520689050.db2.gz YFTVVYUFIPNSRK-UXLLHSPISA-N 1 2 373.453 2.760 20 30 FFEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)[C@H]2CCCC[C@@H]12 ZINC000595741250 520689057 /nfs/dbraw/zinc/68/90/57/520689057.db2.gz YFTVVYUFIPNSRK-UXLLHSPISA-N 1 2 373.453 2.760 20 30 FFEDLO N#Cc1cccc(C2([NH2+]Cc3nc(-c4ccoc4)no3)CCOCC2)c1 ZINC000595765962 520706959 /nfs/dbraw/zinc/70/69/59/520706959.db2.gz YAAXVOZAPNRSGK-UHFFFAOYSA-N 1 2 350.378 2.997 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(C2(O)CC2)CC1 ZINC000593048779 520707585 /nfs/dbraw/zinc/70/75/85/520707585.db2.gz HKLJCZNJOVJNFG-GFCCVEGCSA-N 1 2 359.495 2.672 20 30 FFEDLO COC(=O)[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)c1cccc(C#N)c1 ZINC000595767303 520709849 /nfs/dbraw/zinc/70/98/49/520709849.db2.gz BHFRVDUYDQVHJR-YTQUADARSA-N 1 2 352.438 2.507 20 30 FFEDLO CC[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1nnc2n1CCCCC2 ZINC000595800236 520735648 /nfs/dbraw/zinc/73/56/48/520735648.db2.gz MSQJOQHTVCWNKA-INIZCTEOSA-N 1 2 352.442 2.556 20 30 FFEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000595823761 520747218 /nfs/dbraw/zinc/74/72/18/520747218.db2.gz QNGPNWNZUZGFDS-CQSZACIVSA-N 1 2 365.275 2.508 20 30 FFEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000595823761 520747224 /nfs/dbraw/zinc/74/72/24/520747224.db2.gz QNGPNWNZUZGFDS-CQSZACIVSA-N 1 2 365.275 2.508 20 30 FFEDLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000595823759 520747752 /nfs/dbraw/zinc/74/77/52/520747752.db2.gz QNGPNWNZUZGFDS-AWEZNQCLSA-N 1 2 365.275 2.508 20 30 FFEDLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000595823759 520747758 /nfs/dbraw/zinc/74/77/58/520747758.db2.gz QNGPNWNZUZGFDS-AWEZNQCLSA-N 1 2 365.275 2.508 20 30 FFEDLO COc1nc(C)cc(C)c1C[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000598647932 520760028 /nfs/dbraw/zinc/76/00/28/520760028.db2.gz GEAWVJXJXYGSMJ-UHFFFAOYSA-N 1 2 358.486 2.824 20 30 FFEDLO COc1nc(C)cc(C)c1C[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000598647932 520760037 /nfs/dbraw/zinc/76/00/37/520760037.db2.gz GEAWVJXJXYGSMJ-UHFFFAOYSA-N 1 2 358.486 2.824 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](CO)c2ccc(F)cc2F)c(C#N)c1C ZINC000595865528 520776871 /nfs/dbraw/zinc/77/68/71/520776871.db2.gz AAXFREYLXVTMGZ-QLJPJBMISA-N 1 2 363.364 2.697 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2F)c(C#N)c1C ZINC000595865525 520777756 /nfs/dbraw/zinc/77/77/56/520777756.db2.gz AAXFREYLXVTMGZ-HWPZZCPQSA-N 1 2 363.364 2.697 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC3CC2(c2ccccc2)C3)c1 ZINC000595910630 520815432 /nfs/dbraw/zinc/81/54/32/520815432.db2.gz WHHGMUVASNXIBB-UHFFFAOYSA-N 1 2 352.459 2.953 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC3CC2(c2ccccc2)C3)c1 ZINC000595910630 520815437 /nfs/dbraw/zinc/81/54/37/520815437.db2.gz WHHGMUVASNXIBB-UHFFFAOYSA-N 1 2 352.459 2.953 20 30 FFEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3cc(CC#N)ccn3)c2C1 ZINC000610795078 520847995 /nfs/dbraw/zinc/84/79/95/520847995.db2.gz XMUOJJLQNHWLOO-UHFFFAOYSA-N 1 2 357.417 2.936 20 30 FFEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3cc(CC#N)ccn3)c2C1 ZINC000610795078 520848003 /nfs/dbraw/zinc/84/80/03/520848003.db2.gz XMUOJJLQNHWLOO-UHFFFAOYSA-N 1 2 357.417 2.936 20 30 FFEDLO N#CC[C@@H](CC(=O)N1CCc2[nH]c[nH+]c2C12CCOCC2)c1ccccc1 ZINC000601650629 520884778 /nfs/dbraw/zinc/88/47/78/520884778.db2.gz BVKOIHJXUGSDFR-KRWDZBQOSA-N 1 2 364.449 2.888 20 30 FFEDLO N#Cc1cnnc(N2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)c1 ZINC000596064261 520888205 /nfs/dbraw/zinc/88/82/05/520888205.db2.gz FEPRPHGDBROUCP-UHFFFAOYSA-N 1 2 362.462 2.794 20 30 FFEDLO N#Cc1ccc(Cl)c(C(=O)N2CCc3[nH]c[nH+]c3C23CCOCC3)c1 ZINC000601656849 520888519 /nfs/dbraw/zinc/88/85/19/520888519.db2.gz SSLPKGOLOOVOPB-UHFFFAOYSA-N 1 2 356.813 2.639 20 30 FFEDLO N#CC1(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)CCCC1 ZINC000593294532 520891402 /nfs/dbraw/zinc/89/14/02/520891402.db2.gz MKICOASPXYMVIB-OAHLLOKOSA-N 1 2 362.499 2.505 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1ccc(C#N)cc1F ZINC000610903985 520899890 /nfs/dbraw/zinc/89/98/90/520899890.db2.gz GAIWQWRJOXXJLZ-UHFFFAOYSA-N 1 2 369.400 2.559 20 30 FFEDLO CC1(C)C[N@@H+]([C@H](CNc2cc(C#N)cnn2)c2ccc(Cl)cc2)CCO1 ZINC000596106440 520916284 /nfs/dbraw/zinc/91/62/84/520916284.db2.gz CHIXQXYRBCTBHS-QGZVFWFLSA-N 1 2 371.872 2.688 20 30 FFEDLO CC1(C)C[N@H+]([C@H](CNc2cc(C#N)cnn2)c2ccc(Cl)cc2)CCO1 ZINC000596106440 520916290 /nfs/dbraw/zinc/91/62/90/520916290.db2.gz CHIXQXYRBCTBHS-QGZVFWFLSA-N 1 2 371.872 2.688 20 30 FFEDLO Cc1ccc2[nH+]c(CSCC(=O)Nc3n[nH]c(C4CC4)c3C#N)cn2c1 ZINC000601737213 520926093 /nfs/dbraw/zinc/92/60/93/520926093.db2.gz LBMZXDGLLDAJFP-UHFFFAOYSA-N 1 2 366.450 2.987 20 30 FFEDLO CCC[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)CCN1Cc1ccnc(C#N)c1 ZINC000610995084 520936834 /nfs/dbraw/zinc/93/68/34/520936834.db2.gz BOFYVNBMIFLPRG-OAQYLSRUSA-N 1 2 360.465 2.706 20 30 FFEDLO CCC[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCN1Cc1ccnc(C#N)c1 ZINC000610995084 520936843 /nfs/dbraw/zinc/93/68/43/520936843.db2.gz BOFYVNBMIFLPRG-OAQYLSRUSA-N 1 2 360.465 2.706 20 30 FFEDLO C[C@H]1CCCc2ncc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)n21 ZINC000593388722 520958964 /nfs/dbraw/zinc/95/89/64/520958964.db2.gz KDUFSYJYWXNXHC-INIZCTEOSA-N 1 2 363.465 2.610 20 30 FFEDLO COC(=O)Cc1cc[nH+]c(N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000596229314 520984280 /nfs/dbraw/zinc/98/42/80/520984280.db2.gz JNISYSKFWHTXSA-UHFFFAOYSA-N 1 2 369.396 2.856 20 30 FFEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCCc4scnc43)C2=O)cc1 ZINC000599043843 520997036 /nfs/dbraw/zinc/99/70/36/520997036.db2.gz MVSCTYJPLIULPM-JKSUJKDBSA-N 1 2 352.463 2.783 20 30 FFEDLO N#CCC1(CNC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000599049384 520999808 /nfs/dbraw/zinc/99/98/08/520999808.db2.gz WGQBODMLJFQAIM-UHFFFAOYSA-N 1 2 351.454 2.689 20 30 FFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601971626 521049077 /nfs/dbraw/zinc/04/90/77/521049077.db2.gz DAEBCIAYOGVCMM-NWPKHEMWSA-N 1 2 357.445 2.662 20 30 FFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601971626 521049085 /nfs/dbraw/zinc/04/90/85/521049085.db2.gz DAEBCIAYOGVCMM-NWPKHEMWSA-N 1 2 357.445 2.662 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(c3cccnc3)CC2)C1=O ZINC000611258765 521061577 /nfs/dbraw/zinc/06/15/77/521061577.db2.gz JWTPXGILSDQLRZ-QGZVFWFLSA-N 1 2 352.463 3.000 20 30 FFEDLO N#Cc1ccc(C(F)(F)F)nc1N(CC[NH+]1CCOCC1)CC1CC1 ZINC000596517311 521109972 /nfs/dbraw/zinc/10/99/72/521109972.db2.gz MEIQFZRKFOZREY-UHFFFAOYSA-N 1 2 354.376 2.521 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NS(=O)(=O)CC1(C#N)CCCC1 ZINC000593645761 521128356 /nfs/dbraw/zinc/12/83/56/521128356.db2.gz PVXSRKKOECCJRV-QGZVFWFLSA-N 1 2 372.494 2.707 20 30 FFEDLO Cc1ccc(C#N)nc1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000611399279 521136595 /nfs/dbraw/zinc/13/65/95/521136595.db2.gz IEFRPOOPBVNISF-UHFFFAOYSA-N 1 2 352.438 2.585 20 30 FFEDLO Cc1cc([C@@H]2C[N@H+](C[C@@H](O)CC3(C#N)CCOCC3)CCO2)ccc1F ZINC000599338654 521160690 /nfs/dbraw/zinc/16/06/90/521160690.db2.gz DPLRPQVHVLQMTB-HKUYNNGSSA-N 1 2 362.445 2.579 20 30 FFEDLO Cc1cc([C@@H]2C[N@@H+](C[C@@H](O)CC3(C#N)CCOCC3)CCO2)ccc1F ZINC000599338654 521160698 /nfs/dbraw/zinc/16/06/98/521160698.db2.gz DPLRPQVHVLQMTB-HKUYNNGSSA-N 1 2 362.445 2.579 20 30 FFEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000614922185 521194733 /nfs/dbraw/zinc/19/47/33/521194733.db2.gz JSAIPWLGITTYIA-CZUORRHYSA-N 1 2 361.408 2.761 20 30 FFEDLO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000614922185 521194740 /nfs/dbraw/zinc/19/47/40/521194740.db2.gz JSAIPWLGITTYIA-CZUORRHYSA-N 1 2 361.408 2.761 20 30 FFEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000618848264 521261573 /nfs/dbraw/zinc/26/15/73/521261573.db2.gz JCBJQYSNSULMCM-LJQANCHMSA-N 1 2 350.422 2.666 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C2(c3ccccc3Cl)CCC2)c1C#N ZINC000593894341 521279792 /nfs/dbraw/zinc/27/97/92/521279792.db2.gz ZOTFBJXQXLPYDJ-UHFFFAOYSA-N 1 2 371.872 2.569 20 30 FFEDLO COc1cc(OC)c(NC(=O)C[NH+]2CCC(CC#N)CC2)cc1Cl ZINC000611687775 521281216 /nfs/dbraw/zinc/28/12/16/521281216.db2.gz DFJGEZFSIDGFNT-UHFFFAOYSA-N 1 2 351.834 2.921 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@H](O)C(F)(F)F ZINC000594018545 521351521 /nfs/dbraw/zinc/35/15/21/521351521.db2.gz ZBWPWZSECFZJBP-ZDUSSCGKSA-N 1 2 368.302 2.531 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@H](O)C(F)(F)F ZINC000594018545 521351531 /nfs/dbraw/zinc/35/15/31/521351531.db2.gz ZBWPWZSECFZJBP-ZDUSSCGKSA-N 1 2 368.302 2.531 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)N1CCc3sccc3C1)C2 ZINC000599676687 521391637 /nfs/dbraw/zinc/39/16/37/521391637.db2.gz UVDLGOULLSVNJS-UHFFFAOYSA-N 1 2 351.475 2.757 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)N1CCc3sccc3C1)C2 ZINC000599676687 521391644 /nfs/dbraw/zinc/39/16/44/521391644.db2.gz UVDLGOULLSVNJS-UHFFFAOYSA-N 1 2 351.475 2.757 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000599677547 521392029 /nfs/dbraw/zinc/39/20/29/521392029.db2.gz LJVMWPRDBXUVQD-GOSISDBHSA-N 1 2 362.458 2.849 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000599677547 521392035 /nfs/dbraw/zinc/39/20/35/521392035.db2.gz LJVMWPRDBXUVQD-GOSISDBHSA-N 1 2 362.458 2.849 20 30 FFEDLO COc1ccc(NC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)cc1OC ZINC000599677822 521392609 /nfs/dbraw/zinc/39/26/09/521392609.db2.gz OLACOCAEPOGDAA-UHFFFAOYSA-N 1 2 365.433 2.767 20 30 FFEDLO COc1ccc(NC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)cc1OC ZINC000599677822 521392614 /nfs/dbraw/zinc/39/26/14/521392614.db2.gz OLACOCAEPOGDAA-UHFFFAOYSA-N 1 2 365.433 2.767 20 30 FFEDLO COC(=O)C1C[C@H](C)[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H](C)C1 ZINC000599689168 521404978 /nfs/dbraw/zinc/40/49/78/521404978.db2.gz ONXCYPSAZBGQBQ-RYUDHWBXSA-N 1 2 363.845 2.812 20 30 FFEDLO CN1CCO[C@@H]([C@@H]([NH2+]Cc2cccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000602579236 521422006 /nfs/dbraw/zinc/42/20/06/521422006.db2.gz IJLQRBGPNGAVCJ-MOPGFXCFSA-N 1 2 356.857 2.768 20 30 FFEDLO C[N@@H+]1CCO[C@@H]([C@@H](NCc2cccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000602579236 521422010 /nfs/dbraw/zinc/42/20/10/521422010.db2.gz IJLQRBGPNGAVCJ-MOPGFXCFSA-N 1 2 356.857 2.768 20 30 FFEDLO C[N@H+]1CCO[C@@H]([C@@H](NCc2cccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000602579236 521422012 /nfs/dbraw/zinc/42/20/12/521422012.db2.gz IJLQRBGPNGAVCJ-MOPGFXCFSA-N 1 2 356.857 2.768 20 30 FFEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000612067465 521465452 /nfs/dbraw/zinc/46/54/52/521465452.db2.gz FEZKDVPEYBVJHO-IBGZPJMESA-N 1 2 368.481 2.603 20 30 FFEDLO Cc1cccc([C@@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)[NH+]2CCOCC2)c1 ZINC000612100065 521479466 /nfs/dbraw/zinc/47/94/66/521479466.db2.gz TUHAZNOOZQZJMS-CTNGQTDRSA-N 1 2 370.497 2.704 20 30 FFEDLO N#CCCCCC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000594255339 521513038 /nfs/dbraw/zinc/51/30/38/521513038.db2.gz BPHAXJBWIJHHJT-UHFFFAOYSA-N 1 2 359.861 2.716 20 30 FFEDLO CCN(CC(F)(F)F)C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000602771534 521524262 /nfs/dbraw/zinc/52/42/62/521524262.db2.gz DCRRFGNTHKDYEL-UHFFFAOYSA-N 1 2 369.387 2.812 20 30 FFEDLO CC(C)(C)C[N@H+](CC(=O)OC(C)(C)C)Cc1cnc2c(C#N)cnn2c1 ZINC000597229003 521586060 /nfs/dbraw/zinc/58/60/60/521586060.db2.gz FWLBYLJMPBWEMB-UHFFFAOYSA-N 1 2 357.458 2.791 20 30 FFEDLO CC(C)(C)C[N@@H+](CC(=O)OC(C)(C)C)Cc1cnc2c(C#N)cnn2c1 ZINC000597229003 521586068 /nfs/dbraw/zinc/58/60/68/521586068.db2.gz FWLBYLJMPBWEMB-UHFFFAOYSA-N 1 2 357.458 2.791 20 30 FFEDLO N#CCc1cccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000619477128 521589046 /nfs/dbraw/zinc/58/90/46/521589046.db2.gz GPCRNDSFPLKHMY-UHFFFAOYSA-N 1 2 370.478 2.616 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000616135071 521628826 /nfs/dbraw/zinc/62/88/26/521628826.db2.gz JQOVXAMPXBLVTN-GUXCAODWSA-N 1 2 360.477 2.779 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000616135071 521628831 /nfs/dbraw/zinc/62/88/31/521628831.db2.gz JQOVXAMPXBLVTN-GUXCAODWSA-N 1 2 360.477 2.779 20 30 FFEDLO N#Cc1ccc(NCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000619729358 521840425 /nfs/dbraw/zinc/84/04/25/521840425.db2.gz SBLFURSWSQCHPR-QGZVFWFLSA-N 1 2 363.465 2.909 20 30 FFEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1CC#Cc1ccccc1Cl ZINC000625496157 523478224 /nfs/dbraw/zinc/47/82/24/523478224.db2.gz OBPABLIILNGYEZ-LJQANCHMSA-N 1 2 351.841 2.796 20 30 FFEDLO Cc1cc(NCCNC(=O)c2cc(C#N)cc(N(C)C)c2)nc(C(C)C)[nH+]1 ZINC000529846598 562388593 /nfs/dbraw/zinc/38/85/93/562388593.db2.gz WOBSDOGMBZFZOD-UHFFFAOYSA-N 1 2 366.469 2.688 20 30 FFEDLO Cc1cc(=NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[nH]n1CCC#N ZINC000540817547 562593832 /nfs/dbraw/zinc/59/38/32/562593832.db2.gz KQRKJASUKJFZPD-UHFFFAOYSA-N 1 2 363.425 2.672 20 30 FFEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)c1ccc(C#N)cc1 ZINC000824633853 608461441 /nfs/dbraw/zinc/46/14/41/608461441.db2.gz QVRUHMROUXUQRG-GFCCVEGCSA-N 1 2 372.392 2.639 20 30 FFEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)Nc1cc(C)[nH+]cc1C ZINC000823909371 608476160 /nfs/dbraw/zinc/47/61/60/608476160.db2.gz APBKQQIZDNPEHI-UHFFFAOYSA-N 1 2 363.425 2.521 20 30 FFEDLO C=CC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1cccc(C#N)c1 ZINC000823920178 608633307 /nfs/dbraw/zinc/63/33/07/608633307.db2.gz ZLZNBMWBRLBUOR-UHFFFAOYSA-N 1 2 370.420 2.574 20 30 FFEDLO C=CC[N@@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1cccc(C#N)c1 ZINC000823920178 608633308 /nfs/dbraw/zinc/63/33/08/608633308.db2.gz ZLZNBMWBRLBUOR-UHFFFAOYSA-N 1 2 370.420 2.574 20 30 FFEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H](CCC(=O)OCC)C2)c1=S ZINC000154864153 728813976 /nfs/dbraw/zinc/81/39/76/728813976.db2.gz XWFVQWAZTUPORV-HNNXBMFYSA-N 1 2 352.504 2.921 20 30 FFEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H](CCC(=O)OCC)C2)c1=S ZINC000154864153 728813978 /nfs/dbraw/zinc/81/39/78/728813978.db2.gz XWFVQWAZTUPORV-HNNXBMFYSA-N 1 2 352.504 2.921 20 30 FFEDLO C=CCc1cc(C(=O)N[C@H]2CCC[N@H+](CCF)C2)cc(OC)c1OC ZINC000898485782 735367036 /nfs/dbraw/zinc/36/70/36/735367036.db2.gz NWXYVIMIFSIYAM-INIZCTEOSA-N 1 2 350.434 2.596 20 30 FFEDLO C=CCc1cc(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)cc(OC)c1OC ZINC000898485782 735367038 /nfs/dbraw/zinc/36/70/38/735367038.db2.gz NWXYVIMIFSIYAM-INIZCTEOSA-N 1 2 350.434 2.596 20 30 FFEDLO C#CCN1CCN(C(=O)C[N@@H+]([C@H](C)c2ccccc2Cl)C2CC2)CC1 ZINC000746503511 735489471 /nfs/dbraw/zinc/48/94/71/735489471.db2.gz SUUXACGIGMLSLR-MRXNPFEDSA-N 1 2 359.901 2.643 20 30 FFEDLO C#CCN1CCN(C(=O)C[N@H+]([C@H](C)c2ccccc2Cl)C2CC2)CC1 ZINC000746503511 735489475 /nfs/dbraw/zinc/48/94/75/735489475.db2.gz SUUXACGIGMLSLR-MRXNPFEDSA-N 1 2 359.901 2.643 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1cccnc1Cl)Cc1ccc(C#N)cc1 ZINC000063754286 728137430 /nfs/dbraw/zinc/13/74/30/728137430.db2.gz JLMOEZPTLCXWFR-UHFFFAOYSA-N 1 2 358.829 2.694 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1cccnc1Cl)Cc1ccc(C#N)cc1 ZINC000063754286 728137431 /nfs/dbraw/zinc/13/74/31/728137431.db2.gz JLMOEZPTLCXWFR-UHFFFAOYSA-N 1 2 358.829 2.694 20 30 FFEDLO C=CCNc1ncc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000136206795 728739441 /nfs/dbraw/zinc/73/94/41/728739441.db2.gz JFPJBRYBFOLRMU-UHFFFAOYSA-N 1 2 358.467 2.826 20 30 FFEDLO Cc1cccc(S(=O)(=O)CCCO[NH+]=C(N)c2ccc(F)c(C)c2)c1 ZINC000165883498 728974751 /nfs/dbraw/zinc/97/47/51/728974751.db2.gz BWQFPQCYAGCHOX-UHFFFAOYSA-N 1 2 364.442 2.943 20 30 FFEDLO CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1 ZINC000178945021 729173750 /nfs/dbraw/zinc/17/37/50/729173750.db2.gz CGKKRXSARMWZQF-ZHACJKMWSA-N 1 2 355.419 2.992 20 30 FFEDLO COc1cc(C(=O)/C=C/c2cccc3[nH+]ccn32)ccc1S(C)(=O)=O ZINC000179026918 729176262 /nfs/dbraw/zinc/17/62/62/729176262.db2.gz OILDFBWNTJQLDS-BQYQJAHWSA-N 1 2 356.403 2.643 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)C1 ZINC000779392624 738461640 /nfs/dbraw/zinc/46/16/40/738461640.db2.gz NQGVJJWGFLKTSH-IMJJTQAJSA-N 1 2 365.861 2.722 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)[C@@H](C#N)C1 ZINC000779392597 738461902 /nfs/dbraw/zinc/46/19/02/738461902.db2.gz NQGVJJWGFLKTSH-BPUTZDHNSA-N 1 2 365.861 2.722 20 30 FFEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)s1 ZINC000857884056 730413464 /nfs/dbraw/zinc/41/34/64/730413464.db2.gz ADBYHYPNRLAFFP-LLVKDONJSA-N 1 2 368.915 2.776 20 30 FFEDLO C#CC[N@@H+](C[C@H](C)CSc1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000859188238 730444633 /nfs/dbraw/zinc/44/46/33/730444633.db2.gz HWRNACVJPVMOHW-RDJZCZTQSA-N 1 2 351.537 2.846 20 30 FFEDLO C#CC[N@H+](C[C@H](C)CSc1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000859188238 730444634 /nfs/dbraw/zinc/44/46/34/730444634.db2.gz HWRNACVJPVMOHW-RDJZCZTQSA-N 1 2 351.537 2.846 20 30 FFEDLO C#CC[C@@H](CCOC)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000860306394 730500154 /nfs/dbraw/zinc/50/01/54/730500154.db2.gz BHKVENXJWLJPCT-GJZGRUSLSA-N 1 2 364.515 2.925 20 30 FFEDLO C#CC[C@@H](CCOC)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000860306394 730500157 /nfs/dbraw/zinc/50/01/57/730500157.db2.gz BHKVENXJWLJPCT-GJZGRUSLSA-N 1 2 364.515 2.925 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Br)cc3O)CC2)cn1 ZINC000862423118 730700505 /nfs/dbraw/zinc/70/05/05/730700505.db2.gz OVQXKHOQYMNQSC-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1cccc(F)c1Cl ZINC000863158802 730753150 /nfs/dbraw/zinc/75/31/50/730753150.db2.gz RONOTJNUMMEHGG-UHFFFAOYSA-N 1 2 351.813 2.804 20 30 FFEDLO FC(F)(F)c1cc(N[NH+]=Cc2cnc(N3CCOCC3)s2)ccn1 ZINC000863182080 730754107 /nfs/dbraw/zinc/75/41/07/730754107.db2.gz ZFPFEVMGSBFXCB-UHFFFAOYSA-N 1 2 357.361 2.840 20 30 FFEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)c2ccc(C#N)cc2Cl)c1C ZINC000779888381 738494074 /nfs/dbraw/zinc/49/40/74/738494074.db2.gz HJJOOTKROFRTPN-UHFFFAOYSA-N 1 2 365.842 2.711 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)cc1OC ZINC000877814757 732439161 /nfs/dbraw/zinc/43/91/61/732439161.db2.gz GEBSMUOIMWYJQU-KDURUIRLSA-N 1 2 365.495 2.517 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)cc1OC ZINC000877814757 732439163 /nfs/dbraw/zinc/43/91/63/732439163.db2.gz GEBSMUOIMWYJQU-KDURUIRLSA-N 1 2 365.495 2.517 20 30 FFEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCN(Cc3ccc(Br)cc3)C(=O)C2)C1 ZINC000879101237 732645790 /nfs/dbraw/zinc/64/57/90/732645790.db2.gz FYEZUEFYESXWQM-GOEBONIOSA-N 1 2 362.271 2.786 20 30 FFEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCN(Cc3ccc(Br)cc3)C(=O)C2)C1 ZINC000879101237 732645794 /nfs/dbraw/zinc/64/57/94/732645794.db2.gz FYEZUEFYESXWQM-GOEBONIOSA-N 1 2 362.271 2.786 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC[C@@H](C(F)(F)F)O1 ZINC000880055465 732835151 /nfs/dbraw/zinc/83/51/51/732835151.db2.gz YTOTXGSCLYQVEV-KGLIPLIRSA-N 1 2 361.408 2.713 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC[C@@H](C(F)(F)F)O1 ZINC000880055465 732835154 /nfs/dbraw/zinc/83/51/54/732835154.db2.gz YTOTXGSCLYQVEV-KGLIPLIRSA-N 1 2 361.408 2.713 20 30 FFEDLO C=CCn1c(COC)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000669814340 733273121 /nfs/dbraw/zinc/27/31/21/733273121.db2.gz FNRJIQSXRPVFFG-UHFFFAOYSA-N 1 2 361.877 2.586 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000884096424 733478843 /nfs/dbraw/zinc/47/88/43/733478843.db2.gz UZLVCAMDAGREAL-LRDDRELGSA-N 1 2 350.846 2.839 20 30 FFEDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2C[C@@H](O)CC2(C#N)CCC2)n1 ZINC000886167848 733756346 /nfs/dbraw/zinc/75/63/46/733756346.db2.gz BLQZMDWKFIFWQI-ZFWWWQNUSA-N 1 2 363.483 2.902 20 30 FFEDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2C[C@@H](O)CC2(C#N)CCC2)n1 ZINC000886167848 733756348 /nfs/dbraw/zinc/75/63/48/733756348.db2.gz BLQZMDWKFIFWQI-ZFWWWQNUSA-N 1 2 363.483 2.902 20 30 FFEDLO COCC#CCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000677805027 733967652 /nfs/dbraw/zinc/96/76/52/733967652.db2.gz OUERKPCVNWFBCQ-UHFFFAOYSA-N 1 2 356.495 2.995 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C#N)cn3)CC2)s1 ZINC000889226327 734154263 /nfs/dbraw/zinc/15/42/63/734154263.db2.gz BTDKJOYVUJKQMT-UHFFFAOYSA-N 1 2 355.467 2.927 20 30 FFEDLO C=C(Cl)CNC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000736397710 734984278 /nfs/dbraw/zinc/98/42/78/734984278.db2.gz FRWXYDDLRZQIFI-UHFFFAOYSA-N 1 2 358.269 2.799 20 30 FFEDLO C=C(C)C[C@H]([NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)OCC ZINC000895593195 735029023 /nfs/dbraw/zinc/02/90/23/735029023.db2.gz XRWUDWTVQODPCL-YOEHRIQHSA-N 1 2 353.484 2.681 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cc1OC ZINC000895646699 735036304 /nfs/dbraw/zinc/03/63/04/735036304.db2.gz IGMQZSFGFPWURC-MLGOLLRUSA-N 1 2 354.244 2.589 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)cc1OC ZINC000895646699 735036305 /nfs/dbraw/zinc/03/63/05/735036305.db2.gz IGMQZSFGFPWURC-MLGOLLRUSA-N 1 2 354.244 2.589 20 30 FFEDLO C=C(Br)COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741350884 735136092 /nfs/dbraw/zinc/13/60/92/735136092.db2.gz CIVOQGZSIZDXPD-OAHLLOKOSA-N 1 2 354.244 2.729 20 30 FFEDLO C=C(Br)COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741350884 735136093 /nfs/dbraw/zinc/13/60/93/735136093.db2.gz CIVOQGZSIZDXPD-OAHLLOKOSA-N 1 2 354.244 2.729 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000742237807 735213572 /nfs/dbraw/zinc/21/35/72/735213572.db2.gz PWVTVDXKVCOPGR-CYBMUJFWSA-N 1 2 351.397 2.513 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000742237807 735213577 /nfs/dbraw/zinc/21/35/77/735213577.db2.gz PWVTVDXKVCOPGR-CYBMUJFWSA-N 1 2 351.397 2.513 20 30 FFEDLO C#CCOCCNC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000784417774 738889468 /nfs/dbraw/zinc/88/94/68/738889468.db2.gz VIOPBNZZXMIGTL-IAGOWNOFSA-N 1 2 367.852 2.563 20 30 FFEDLO C#CCOCCNC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000784417774 738889472 /nfs/dbraw/zinc/88/94/72/738889472.db2.gz VIOPBNZZXMIGTL-IAGOWNOFSA-N 1 2 367.852 2.563 20 30 FFEDLO CC(=NNC(=S)N[C@H](C)C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000751530351 735890643 /nfs/dbraw/zinc/89/06/43/735890643.db2.gz XELIAAMMZCCCOH-KDOFPFPSSA-N 1 2 360.527 2.526 20 30 FFEDLO CC(=NNC(=S)N[C@H](C)C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000751530351 735890647 /nfs/dbraw/zinc/89/06/47/735890647.db2.gz XELIAAMMZCCCOH-KDOFPFPSSA-N 1 2 360.527 2.526 20 30 FFEDLO CC(=NNC(=S)N[C@@H](C)C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000751530354 735890717 /nfs/dbraw/zinc/89/07/17/735890717.db2.gz XELIAAMMZCCCOH-KSSFIOAISA-N 1 2 360.527 2.526 20 30 FFEDLO CC(=NNC(=S)N[C@@H](C)C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000751530354 735890722 /nfs/dbraw/zinc/89/07/22/735890722.db2.gz XELIAAMMZCCCOH-KSSFIOAISA-N 1 2 360.527 2.526 20 30 FFEDLO C#C[C@H](CC)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000753193059 736044392 /nfs/dbraw/zinc/04/43/92/736044392.db2.gz NBUYQUNRUPSAHY-CYBMUJFWSA-N 1 2 363.259 2.659 20 30 FFEDLO COc1cc(F)cc(N[NH+]=Cc2c(Cl)nc(N)nc2N2CCCC2)c1 ZINC000759209176 736555110 /nfs/dbraw/zinc/55/51/10/736555110.db2.gz AQWUMOZHUSKXFU-UHFFFAOYSA-N 1 2 364.812 2.906 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000764533207 737027280 /nfs/dbraw/zinc/02/72/80/737027280.db2.gz KDXZXTKRWNFNEW-DOMZBBRYSA-N 1 2 358.829 2.665 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000764533207 737027286 /nfs/dbraw/zinc/02/72/86/737027286.db2.gz KDXZXTKRWNFNEW-DOMZBBRYSA-N 1 2 358.829 2.665 20 30 FFEDLO N#CC1(CS(=O)(=O)NCCn2c[nH+]cc2-c2ccccc2)CCCC1 ZINC000918844455 737829115 /nfs/dbraw/zinc/82/91/15/737829115.db2.gz DTEFQOWJQUYQQD-UHFFFAOYSA-N 1 2 358.467 2.553 20 30 FFEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)Cc1csc(C#N)c1 ZINC000918864598 737830368 /nfs/dbraw/zinc/83/03/68/737830368.db2.gz BFZWABPLAPCEEV-UHFFFAOYSA-N 1 2 365.480 2.778 20 30 FFEDLO C=CCNC(=O)C[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1Cl ZINC000776958042 738248208 /nfs/dbraw/zinc/24/82/08/738248208.db2.gz JERZSUHLEBNIGV-UHFFFAOYSA-N 1 2 353.253 2.879 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@@H]3CCC[C@@H](C(F)(F)F)O3)CC2)nc1 ZINC000929328376 738970007 /nfs/dbraw/zinc/97/00/07/738970007.db2.gz VKKBDMOYHCRMKQ-GJZGRUSLSA-N 1 2 354.376 2.575 20 30 FFEDLO C=CCC1(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)CCC1 ZINC000791558353 739578963 /nfs/dbraw/zinc/57/89/63/739578963.db2.gz LPTRMSOKRDDDMJ-UHFFFAOYSA-N 1 2 362.495 2.682 20 30 FFEDLO C#CCC1([NH2+]Cc2nnc(C(=O)NCc3ccc(C)cc3)s2)CCC1 ZINC000933298445 739600589 /nfs/dbraw/zinc/60/05/89/739600589.db2.gz AKOPJKLABPSOIG-UHFFFAOYSA-N 1 2 354.479 2.812 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)nn1 ZINC000933712904 739677188 /nfs/dbraw/zinc/67/71/88/739677188.db2.gz BESSOSQELSMMLH-GFCCVEGCSA-N 1 2 352.364 2.653 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)nn1 ZINC000933712904 739677191 /nfs/dbraw/zinc/67/71/91/739677191.db2.gz BESSOSQELSMMLH-GFCCVEGCSA-N 1 2 352.364 2.653 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1ccc(C(=O)OC)cc1Br)[C@@H]1CCCO1 ZINC000793591949 739797079 /nfs/dbraw/zinc/79/70/79/739797079.db2.gz STFSOZILUSQWIV-CABCVRRESA-N 1 2 352.228 2.506 20 30 FFEDLO N#CCc1ccc(C[N@@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)cc1 ZINC000934780367 739839920 /nfs/dbraw/zinc/83/99/20/739839920.db2.gz BMBWJDMOWBZHBB-HZPDHXFCSA-N 1 2 372.412 2.694 20 30 FFEDLO N#CCc1ccc(C[N@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)cc1 ZINC000934780367 739839926 /nfs/dbraw/zinc/83/99/26/739839926.db2.gz BMBWJDMOWBZHBB-HZPDHXFCSA-N 1 2 372.412 2.694 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCSCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000935156326 739903930 /nfs/dbraw/zinc/90/39/30/739903930.db2.gz KMDVJTUQVNHRMW-HZPDHXFCSA-N 1 2 365.449 2.863 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCSCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000935156326 739903932 /nfs/dbraw/zinc/90/39/32/739903932.db2.gz KMDVJTUQVNHRMW-HZPDHXFCSA-N 1 2 365.449 2.863 20 30 FFEDLO Cc1c(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)nnn1-c1ccccc1 ZINC000794702476 739921108 /nfs/dbraw/zinc/92/11/08/739921108.db2.gz YQYAEBBYAHXZEZ-MDZDMXLPSA-N 1 2 353.451 2.990 20 30 FFEDLO C=CCC(C)(C)C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000796456323 740144922 /nfs/dbraw/zinc/14/49/22/740144922.db2.gz ZCJWHXPPBQSBQI-UHFFFAOYSA-N 1 2 350.484 2.538 20 30 FFEDLO C#CC[N@@H+](CCN(Cc1ccccc1)S(C)(=O)=O)Cc1ccccc1 ZINC000796641775 740166254 /nfs/dbraw/zinc/16/62/54/740166254.db2.gz RGYROVKPFHXGHU-UHFFFAOYSA-N 1 2 356.491 2.584 20 30 FFEDLO C#CC[N@H+](CCN(Cc1ccccc1)S(C)(=O)=O)Cc1ccccc1 ZINC000796641775 740166257 /nfs/dbraw/zinc/16/62/57/740166257.db2.gz RGYROVKPFHXGHU-UHFFFAOYSA-N 1 2 356.491 2.584 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2nccs2)CC1(C)C ZINC000941094120 740199642 /nfs/dbraw/zinc/19/96/42/740199642.db2.gz YCYHUPNZESAHNF-ZOBUZTSGSA-N 1 2 363.527 2.841 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nccs2)CC1(C)C ZINC000941094120 740199645 /nfs/dbraw/zinc/19/96/45/740199645.db2.gz YCYHUPNZESAHNF-ZOBUZTSGSA-N 1 2 363.527 2.841 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)[C@@H](C#N)C1 ZINC000798274776 740318751 /nfs/dbraw/zinc/31/87/51/740318751.db2.gz KJMBBALCXHAFTC-JSGCOSHPSA-N 1 2 351.834 2.894 20 30 FFEDLO C=CCn1c2ccccc2n(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1=S ZINC000799142764 740391928 /nfs/dbraw/zinc/39/19/28/740391928.db2.gz CNCNSHQTRVJGIT-KGLIPLIRSA-N 1 2 358.467 2.746 20 30 FFEDLO C=CCn1c2ccccc2n(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1=S ZINC000799142764 740391932 /nfs/dbraw/zinc/39/19/32/740391932.db2.gz CNCNSHQTRVJGIT-KGLIPLIRSA-N 1 2 358.467 2.746 20 30 FFEDLO C#CC[N@@H+](C[C@@H](C)c1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000800355919 740516002 /nfs/dbraw/zinc/51/60/02/740516002.db2.gz PDAOOQNCYICIPQ-CJNGLKHVSA-N 1 2 359.413 2.931 20 30 FFEDLO C#CC[N@H+](C[C@@H](C)c1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000800355919 740516004 /nfs/dbraw/zinc/51/60/04/740516004.db2.gz PDAOOQNCYICIPQ-CJNGLKHVSA-N 1 2 359.413 2.931 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000961304223 740633341 /nfs/dbraw/zinc/63/33/41/740633341.db2.gz FUXUPNGHDUPVRO-RWHKXBQASA-N 1 2 353.304 2.768 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000961304223 740633347 /nfs/dbraw/zinc/63/33/47/740633347.db2.gz FUXUPNGHDUPVRO-RWHKXBQASA-N 1 2 353.304 2.768 20 30 FFEDLO C#C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000804858835 740910920 /nfs/dbraw/zinc/91/09/20/740910920.db2.gz JCKPJPQULHLTKA-MRXNPFEDSA-N 1 2 367.852 2.563 20 30 FFEDLO C#CCCCS(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000805059485 740933403 /nfs/dbraw/zinc/93/34/03/740933403.db2.gz VFARNRONVKZVBU-ZWKOTPCHSA-N 1 2 370.465 2.821 20 30 FFEDLO C#CCCCS(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000805059485 740933408 /nfs/dbraw/zinc/93/34/08/740933408.db2.gz VFARNRONVKZVBU-ZWKOTPCHSA-N 1 2 370.465 2.821 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccncc2Cl)CC1 ZINC000981186172 741139233 /nfs/dbraw/zinc/13/92/33/741139233.db2.gz MTKXCMNFWFWLLT-AEFFLSMTSA-N 1 2 363.889 2.751 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccncc2Cl)CC1 ZINC000981186172 741139238 /nfs/dbraw/zinc/13/92/38/741139238.db2.gz MTKXCMNFWFWLLT-AEFFLSMTSA-N 1 2 363.889 2.751 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](Cc1cscn1)C2 ZINC000982064207 741189755 /nfs/dbraw/zinc/18/97/55/741189755.db2.gz MRUXDAQTTKTXOE-IRXDYDNUSA-N 1 2 361.511 2.549 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](Cc1cscn1)C2 ZINC000982064207 741189759 /nfs/dbraw/zinc/18/97/59/741189759.db2.gz MRUXDAQTTKTXOE-IRXDYDNUSA-N 1 2 361.511 2.549 20 30 FFEDLO N#CCCNC(=O)C[N@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000815306860 741923627 /nfs/dbraw/zinc/92/36/27/741923627.db2.gz OTULRXQZBYKYRJ-HNNXBMFYSA-N 1 2 364.287 2.876 20 30 FFEDLO N#CCCNC(=O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000815306860 741923629 /nfs/dbraw/zinc/92/36/29/741923629.db2.gz OTULRXQZBYKYRJ-HNNXBMFYSA-N 1 2 364.287 2.876 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2nc(C)sc2C)C1 ZINC001008846572 742410744 /nfs/dbraw/zinc/41/07/44/742410744.db2.gz PBHSCVUNQSTOSL-BQFCYCMXSA-N 1 2 363.527 2.822 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001008846572 742410746 /nfs/dbraw/zinc/41/07/46/742410746.db2.gz PBHSCVUNQSTOSL-BQFCYCMXSA-N 1 2 363.527 2.822 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001015721338 742478371 /nfs/dbraw/zinc/47/83/71/742478371.db2.gz GPALYBYNAYTWCR-UXLLHSPISA-N 1 2 352.837 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001015721338 742478375 /nfs/dbraw/zinc/47/83/75/742478375.db2.gz GPALYBYNAYTWCR-UXLLHSPISA-N 1 2 352.837 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001015722163 742478833 /nfs/dbraw/zinc/47/88/33/742478833.db2.gz VCSWFYNIZMQVTB-VBQJREDUSA-N 1 2 352.837 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001015722163 742478837 /nfs/dbraw/zinc/47/88/37/742478837.db2.gz VCSWFYNIZMQVTB-VBQJREDUSA-N 1 2 352.837 2.761 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001015827672 742484266 /nfs/dbraw/zinc/48/42/66/742484266.db2.gz VANFKBFCPALBEJ-BQFCYCMXSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001015827672 742484268 /nfs/dbraw/zinc/48/42/68/742484268.db2.gz VANFKBFCPALBEJ-BQFCYCMXSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001027887537 742777023 /nfs/dbraw/zinc/77/70/23/742777023.db2.gz RPOBSVOGPCMNJI-ILXRZTDVSA-N 1 2 359.308 2.537 20 30 FFEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001027887537 742777027 /nfs/dbraw/zinc/77/70/27/742777027.db2.gz RPOBSVOGPCMNJI-ILXRZTDVSA-N 1 2 359.308 2.537 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001027890421 742778066 /nfs/dbraw/zinc/77/80/66/742778066.db2.gz ZFOPSLSFUOTYBU-BBWFWOEESA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001027890421 742778071 /nfs/dbraw/zinc/77/80/71/742778071.db2.gz ZFOPSLSFUOTYBU-BBWFWOEESA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2csc(CCC)n2)C1 ZINC001033432022 742886945 /nfs/dbraw/zinc/88/69/45/742886945.db2.gz KBUYLEDXVWVFDB-BBWFWOEESA-N 1 2 363.527 2.719 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2csc(CCC)n2)C1 ZINC001033432022 742886956 /nfs/dbraw/zinc/88/69/56/742886956.db2.gz KBUYLEDXVWVFDB-BBWFWOEESA-N 1 2 363.527 2.719 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001033439853 742891776 /nfs/dbraw/zinc/89/17/76/742891776.db2.gz AXTJJKOAHZNTIU-MGPQQGTHSA-N 1 2 353.260 2.824 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001033439853 742891782 /nfs/dbraw/zinc/89/17/82/742891782.db2.gz AXTJJKOAHZNTIU-MGPQQGTHSA-N 1 2 353.260 2.824 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001033495843 742893858 /nfs/dbraw/zinc/89/38/58/742893858.db2.gz BNDKNJPIFNOEIA-BQFCYCMXSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001033495843 742893868 /nfs/dbraw/zinc/89/38/68/742893868.db2.gz BNDKNJPIFNOEIA-BQFCYCMXSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1c(C)nsc1C ZINC001038800232 742986188 /nfs/dbraw/zinc/98/61/88/742986188.db2.gz QYUIXJUWNYYCAT-BQFCYCMXSA-N 1 2 363.527 2.822 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1c(C)nsc1C ZINC001038800232 742986198 /nfs/dbraw/zinc/98/61/98/742986198.db2.gz QYUIXJUWNYYCAT-BQFCYCMXSA-N 1 2 363.527 2.822 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2cccc(SC(=O)N(C)C)c2)CC1 ZINC000824871647 743168179 /nfs/dbraw/zinc/16/81/79/743168179.db2.gz JEJZJSDSTLQEPW-UHFFFAOYSA-N 1 2 361.467 2.739 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@@H](C)O1 ZINC001049732613 743482634 /nfs/dbraw/zinc/48/26/34/743482634.db2.gz OLYVIGAWJJIKFQ-KBUPBQIOSA-N 1 2 357.292 2.528 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@@H](C)O1 ZINC001049732613 743482637 /nfs/dbraw/zinc/48/26/37/743482637.db2.gz OLYVIGAWJJIKFQ-KBUPBQIOSA-N 1 2 357.292 2.528 20 30 FFEDLO Oc1c(Cl)cc(Cl)cc1/C=N\CC1([NH+]2CCOCC2)CCOCC1 ZINC000840712167 747164777 /nfs/dbraw/zinc/16/47/77/747164777.db2.gz WYRFONOFUUBSEP-JAIQZWGSSA-N 1 2 373.280 2.999 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](OCC)C1 ZINC000844410328 748024560 /nfs/dbraw/zinc/02/45/60/748024560.db2.gz UFKQGXXMRZOHLI-CHWSQXEVSA-N 1 2 363.296 2.757 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](OCC)C1 ZINC000844410328 748024564 /nfs/dbraw/zinc/02/45/64/748024564.db2.gz UFKQGXXMRZOHLI-CHWSQXEVSA-N 1 2 363.296 2.757 20 30 FFEDLO Cc1cc(C(N)=[NH+]OCc2ccc(OCC(F)(F)F)nn2)ccc1F ZINC000848509097 748945973 /nfs/dbraw/zinc/94/59/73/748945973.db2.gz KTCFUDXSJPZGOX-UHFFFAOYSA-N 1 2 358.295 2.702 20 30 FFEDLO C#C[C@H]1CCCN(c2nc(N3CCC[C@@H](C#C)C3)[nH+]c3c2SCC3)C1 ZINC000848751905 749000633 /nfs/dbraw/zinc/00/06/33/749000633.db2.gz VXDQHPUTPQIYBG-JKSUJKDBSA-N 1 2 352.507 2.824 20 30 FFEDLO C[C@H](CO)[C@H]1CCCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000852424388 749857023 /nfs/dbraw/zinc/85/70/23/749857023.db2.gz CJUKKLLNZQQWBK-IIAWOOMASA-N 1 2 357.479 2.955 20 30 FFEDLO C[C@H](CO)[C@H]1CCCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000852424388 749857029 /nfs/dbraw/zinc/85/70/29/749857029.db2.gz CJUKKLLNZQQWBK-IIAWOOMASA-N 1 2 357.479 2.955 20 30 FFEDLO C#CCC[N@@H+](CCOC)Cc1nnc(-c2ccccc2Br)o1 ZINC000852752882 749944047 /nfs/dbraw/zinc/94/40/47/749944047.db2.gz PHUZLMOAIVZBMM-UHFFFAOYSA-N 1 2 364.243 2.971 20 30 FFEDLO C#CCC[N@H+](CCOC)Cc1nnc(-c2ccccc2Br)o1 ZINC000852752882 749944054 /nfs/dbraw/zinc/94/40/54/749944054.db2.gz PHUZLMOAIVZBMM-UHFFFAOYSA-N 1 2 364.243 2.971 20 30 FFEDLO C#CCCN(CCOC)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000853872657 750187854 /nfs/dbraw/zinc/18/78/54/750187854.db2.gz BUFHMGYYWYFISH-OAHLLOKOSA-N 1 2 364.515 2.879 20 30 FFEDLO C#CCCN(CCOC)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000853872657 750187860 /nfs/dbraw/zinc/18/78/60/750187860.db2.gz BUFHMGYYWYFISH-OAHLLOKOSA-N 1 2 364.515 2.879 20 30 FFEDLO Cc1cc(C(N)=[NH+]OCCCS(=O)(=O)c2ccc(F)cc2)ccc1F ZINC000063457602 845463454 /nfs/dbraw/zinc/46/34/54/845463454.db2.gz SUELCSVALKCVDI-UHFFFAOYSA-N 1 2 368.405 2.774 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc4ccccn4n3)CC2)cc1 ZINC000515321240 887673100 /nfs/dbraw/zinc/67/31/00/887673100.db2.gz HJHDBEBLEHYJLJ-UHFFFAOYSA-N 1 2 360.421 2.556 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)c2nnc(C)s2)C1 ZINC001112068037 971249072 /nfs/dbraw/zinc/24/90/72/971249072.db2.gz FXGHQHFKJBGCCU-MVWJERBFSA-N 1 2 362.421 2.853 20 30 FFEDLO CN1CC2(CC1=O)CC[NH+](Cc1cc(Br)ccc1C#N)CC2 ZINC001141908055 971673959 /nfs/dbraw/zinc/67/39/59/971673959.db2.gz YTSCAIWCSHPBRY-UHFFFAOYSA-N 1 2 362.271 2.765 20 30 FFEDLO C[C@H](ON=C(N)c1cccc(C[NH+]2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000194628311 971883568 /nfs/dbraw/zinc/88/35/68/971883568.db2.gz GNYPEYHKMQRMBB-INIZCTEOSA-N 1 2 364.449 2.789 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C(C)(C)C)no3)CC[C@@H]2C1 ZINC001088067048 972070605 /nfs/dbraw/zinc/07/06/05/972070605.db2.gz LSUQYROJDONTJJ-CABCVRRESA-N 1 2 360.502 2.860 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C(C)(C)C)no3)CC[C@@H]2C1 ZINC001088067048 972070614 /nfs/dbraw/zinc/07/06/14/972070614.db2.gz LSUQYROJDONTJJ-CABCVRRESA-N 1 2 360.502 2.860 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)c4c(F)cccc4Cl)C3)C2)cc1C#N ZINC001271184338 972071630 /nfs/dbraw/zinc/07/16/30/972071630.db2.gz VAKFSGWMHJDMSA-UHFFFAOYSA-N 1 2 372.831 2.647 20 30 FFEDLO NC(Cc1ccccc1)=[NH+]OCC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000120348973 959464840 /nfs/dbraw/zinc/46/48/40/959464840.db2.gz LRFGKDWHBLBSMW-UHFFFAOYSA-N 1 2 352.438 2.757 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2c(C)nn(C)c2Cl)C[C@H]1C ZINC001208964176 959893263 /nfs/dbraw/zinc/89/32/63/959893263.db2.gz VDHUZFJNJFCTQI-IUODEOHRSA-N 1 2 352.910 2.921 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2c(C)nn(C)c2Cl)C[C@H]1C ZINC001208964176 959893273 /nfs/dbraw/zinc/89/32/73/959893273.db2.gz VDHUZFJNJFCTQI-IUODEOHRSA-N 1 2 352.910 2.921 20 30 FFEDLO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3csc(Br)n3)C2)C1=O ZINC001275964852 1013235622 /nfs/dbraw/zinc/23/56/22/1013235622.db2.gz VABJSXWDNVWQPN-HNNXBMFYSA-N 1 2 370.316 2.906 20 30 FFEDLO C=C(C)CN1CC[C@]2(CC[N@@H+](Cc3csc(Br)n3)C2)C1=O ZINC001275964852 1013235626 /nfs/dbraw/zinc/23/56/26/1013235626.db2.gz VABJSXWDNVWQPN-HNNXBMFYSA-N 1 2 370.316 2.906 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000959999659 1013297955 /nfs/dbraw/zinc/29/79/55/1013297955.db2.gz FGOYNEOYVSRUHQ-BJBSACGLSA-N 1 2 365.452 2.846 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000959999659 1013297950 /nfs/dbraw/zinc/29/79/50/1013297950.db2.gz FGOYNEOYVSRUHQ-BJBSACGLSA-N 1 2 365.452 2.846 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1F ZINC001110182849 1013416233 /nfs/dbraw/zinc/41/62/33/1013416233.db2.gz BSKKXNGTGHXBPQ-ZYUBPSHWSA-N 1 2 350.409 2.777 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1F ZINC001110182849 1013416242 /nfs/dbraw/zinc/41/62/42/1013416242.db2.gz BSKKXNGTGHXBPQ-ZYUBPSHWSA-N 1 2 350.409 2.777 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)cc(F)c1 ZINC001110182904 1013416517 /nfs/dbraw/zinc/41/65/17/1013416517.db2.gz DWMYWUMXSYUDJP-LSZYVWPRSA-N 1 2 350.409 2.777 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)cc(F)c1 ZINC001110182904 1013416520 /nfs/dbraw/zinc/41/65/20/1013416520.db2.gz DWMYWUMXSYUDJP-LSZYVWPRSA-N 1 2 350.409 2.777 20 30 FFEDLO CC(C)(C)NC(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000064430549 963446992 /nfs/dbraw/zinc/44/69/92/963446992.db2.gz UFGNPWQBKXHGGW-UHFFFAOYSA-N 1 2 355.438 2.817 20 30 FFEDLO C=CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3c(F)c(F)cc(F)c3F)C2)C1=O ZINC001276091181 1013445823 /nfs/dbraw/zinc/44/58/23/1013445823.db2.gz UCFLJYAHMHAGTH-SFHVURJKSA-N 1 2 370.346 2.770 20 30 FFEDLO C=CCN1C(=O)C[C@]2(CCC[N@H+](Cc3c(F)c(F)cc(F)c3F)C2)C1=O ZINC001276091181 1013445836 /nfs/dbraw/zinc/44/58/36/1013445836.db2.gz UCFLJYAHMHAGTH-SFHVURJKSA-N 1 2 370.346 2.770 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(Oc2ccccn2)c1 ZINC000891394187 963824094 /nfs/dbraw/zinc/82/40/94/963824094.db2.gz BFCLGDLUDIUSGK-UHFFFAOYSA-N 1 2 366.465 2.922 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1OC ZINC001110185930 1013459566 /nfs/dbraw/zinc/45/95/66/1013459566.db2.gz PQQSNGYKFMIAPJ-ZSGPHXLJSA-N 1 2 362.445 2.647 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1OC ZINC001110185930 1013459571 /nfs/dbraw/zinc/45/95/71/1013459571.db2.gz PQQSNGYKFMIAPJ-ZSGPHXLJSA-N 1 2 362.445 2.647 20 30 FFEDLO C=CC[C@H](C(=O)OC)[NH+]1CCC(c2nc(C)c(C(=O)OCC)s2)CC1 ZINC001175631916 1013517806 /nfs/dbraw/zinc/51/78/06/1013517806.db2.gz SOIKKMAJWMDERW-CQSZACIVSA-N 1 2 366.483 2.925 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccnn2C)CCCCC1 ZINC001111483776 964984099 /nfs/dbraw/zinc/98/40/99/964984099.db2.gz NCGNYHJFYDHJOR-QRQLOZEOSA-N 1 2 354.498 2.615 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccnn2C)CCCCC1 ZINC001111483776 964984104 /nfs/dbraw/zinc/98/41/04/964984104.db2.gz NCGNYHJFYDHJOR-QRQLOZEOSA-N 1 2 354.498 2.615 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C)c1ccc(F)c(F)c1 ZINC000664702723 964995712 /nfs/dbraw/zinc/99/57/12/964995712.db2.gz YUFRAMSRMNXEEK-GLJUWKHASA-N 1 2 367.440 2.990 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C)c1ccc(F)c(F)c1 ZINC000664702723 964995722 /nfs/dbraw/zinc/99/57/22/964995722.db2.gz YUFRAMSRMNXEEK-GLJUWKHASA-N 1 2 367.440 2.990 20 30 FFEDLO C[NH+]1CCN(C(=O)c2cccc(Nc3cc(C#N)c(F)cc3O)c2)CC1 ZINC001175928613 1013594079 /nfs/dbraw/zinc/59/40/79/1013594079.db2.gz PHHYBVYONVYHFI-UHFFFAOYSA-N 1 2 354.385 2.534 20 30 FFEDLO Cc1cc(Cl)ccc1C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001270821932 966112507 /nfs/dbraw/zinc/11/25/07/966112507.db2.gz ILTSLTCWGQXPAF-UHFFFAOYSA-N 1 2 368.868 2.817 20 30 FFEDLO C#CCCCc1nnc(N2CC[NH+](Cc3ccco3)CC2)n1CC(=C)C ZINC000909321507 966211377 /nfs/dbraw/zinc/21/13/77/966211377.db2.gz ZDMVYHJQSOQTJA-UHFFFAOYSA-N 1 2 353.470 2.725 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC000972430831 967069286 /nfs/dbraw/zinc/06/92/86/967069286.db2.gz LASMQXMODOXYQE-MQSCRBSSSA-N 1 2 366.505 2.897 20 30 FFEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC000972430831 967069297 /nfs/dbraw/zinc/06/92/97/967069297.db2.gz LASMQXMODOXYQE-MQSCRBSSSA-N 1 2 366.505 2.897 20 30 FFEDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2c(C#N)sc3ccccc32)CC1 ZINC001211862551 967300123 /nfs/dbraw/zinc/30/01/23/967300123.db2.gz ICPUDOHJCBODPA-CYBMUJFWSA-N 1 2 363.508 2.878 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3csc([C@H](C)OC)n3)[C@@H]2C1 ZINC001075792227 967471901 /nfs/dbraw/zinc/47/19/01/967471901.db2.gz HSUPPFTVTYZJKI-SGMGOOAPSA-N 1 2 355.891 2.749 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3csc([C@H](C)OC)n3)[C@@H]2C1 ZINC001075792227 967471906 /nfs/dbraw/zinc/47/19/06/967471906.db2.gz HSUPPFTVTYZJKI-SGMGOOAPSA-N 1 2 355.891 2.749 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccnn2C)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087518453 967587606 /nfs/dbraw/zinc/58/76/06/967587606.db2.gz QLEKIFMQXVMHEW-ZWKOTPCHSA-N 1 2 370.884 2.708 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccnn2C)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087518453 967587611 /nfs/dbraw/zinc/58/76/11/967587611.db2.gz QLEKIFMQXVMHEW-ZWKOTPCHSA-N 1 2 370.884 2.708 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C2=COCCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087520160 967605185 /nfs/dbraw/zinc/60/51/85/967605185.db2.gz UYFFIOLDOWONFQ-RBUKOAKNSA-N 1 2 357.429 2.861 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C2=COCCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087520160 967605193 /nfs/dbraw/zinc/60/51/93/967605193.db2.gz UYFFIOLDOWONFQ-RBUKOAKNSA-N 1 2 357.429 2.861 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CCC3(CNC(=O)C3)CC1)C2 ZINC000329772016 968012623 /nfs/dbraw/zinc/01/26/23/968012623.db2.gz KFZHDJDVKICFAI-CQSZACIVSA-N 1 2 373.501 2.852 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2nccn2CC)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087557986 968129504 /nfs/dbraw/zinc/12/95/04/968129504.db2.gz HQALTUWYYLKDNH-ZWKOTPCHSA-N 1 2 369.444 2.697 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2nccn2CC)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087557986 968129507 /nfs/dbraw/zinc/12/95/07/968129507.db2.gz HQALTUWYYLKDNH-ZWKOTPCHSA-N 1 2 369.444 2.697 20 30 FFEDLO COc1cc(C#N)c(F)cc1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176967494 1013816559 /nfs/dbraw/zinc/81/65/59/1013816559.db2.gz OHCGBAOIASQCDN-CYBMUJFWSA-N 1 2 354.385 2.956 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3noc4c3COCC4)[C@@H]2CC)C1 ZINC001087718238 968715353 /nfs/dbraw/zinc/71/53/53/968715353.db2.gz CPHSDOXZWOONDR-DOTOQJQBSA-N 1 2 359.470 2.573 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3noc4c3COCC4)[C@@H]2CC)C1 ZINC001087718238 968715363 /nfs/dbraw/zinc/71/53/63/968715363.db2.gz CPHSDOXZWOONDR-DOTOQJQBSA-N 1 2 359.470 2.573 20 30 FFEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000658646622 968949943 /nfs/dbraw/zinc/94/99/43/968949943.db2.gz KPGWYWGSWMAHGA-LJQANCHMSA-N 1 2 372.513 2.717 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCC(=O)NC2(c3ccccc3)CCC2)cc1 ZINC000174123925 970382189 /nfs/dbraw/zinc/38/21/89/970382189.db2.gz DMSHMNKIKFTIRY-UHFFFAOYSA-N 1 2 367.449 2.722 20 30 FFEDLO C[C@H](CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21)C1CC1 ZINC001083286087 970422996 /nfs/dbraw/zinc/42/29/96/970422996.db2.gz RQHFUDPKTRCVJO-VOBQZIQPSA-N 1 2 371.456 2.545 20 30 FFEDLO C[C@H](CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21)C1CC1 ZINC001083286087 970423003 /nfs/dbraw/zinc/42/30/03/970423003.db2.gz RQHFUDPKTRCVJO-VOBQZIQPSA-N 1 2 371.456 2.545 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@H](C)c4nnc(CC)[nH]4)CC[C@@H]3C2)CC1 ZINC001088092894 972711655 /nfs/dbraw/zinc/71/16/55/972711655.db2.gz BAFSXDVCSXQQAG-NXHRZFHOSA-N 1 2 371.529 2.955 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)c4nnc(CC)[nH]4)CC[C@@H]3C2)CC1 ZINC001088092894 972711661 /nfs/dbraw/zinc/71/16/61/972711661.db2.gz BAFSXDVCSXQQAG-NXHRZFHOSA-N 1 2 371.529 2.955 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(CCC)no3)CC[C@@H]2C1 ZINC001088093365 972730941 /nfs/dbraw/zinc/73/09/41/972730941.db2.gz UDDJRPWADMKCJI-GUXCAODWSA-N 1 2 360.502 2.905 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(CCC)no3)CC[C@@H]2C1 ZINC001088093365 972730947 /nfs/dbraw/zinc/73/09/47/972730947.db2.gz UDDJRPWADMKCJI-GUXCAODWSA-N 1 2 360.502 2.905 20 30 FFEDLO C[C@H](C#N)Nc1ccccc1OCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000840782198 973141952 /nfs/dbraw/zinc/14/19/52/973141952.db2.gz WQZSQWPYYYBBQF-MRXNPFEDSA-N 1 2 374.485 2.942 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)[C@@H](C)COC ZINC000661243695 973978718 /nfs/dbraw/zinc/97/87/18/973978718.db2.gz LVVRVLDUCDXGIX-AWEZNQCLSA-N 1 2 357.458 2.550 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)[C@@H](C)COC ZINC000661243695 973978728 /nfs/dbraw/zinc/97/87/28/973978728.db2.gz LVVRVLDUCDXGIX-AWEZNQCLSA-N 1 2 357.458 2.550 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001027415816 974388440 /nfs/dbraw/zinc/38/84/40/974388440.db2.gz SJTYOKOOJXIIRU-KSZLIROESA-N 1 2 361.486 2.695 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001027415816 974388443 /nfs/dbraw/zinc/38/84/43/974388443.db2.gz SJTYOKOOJXIIRU-KSZLIROESA-N 1 2 361.486 2.695 20 30 FFEDLO Cc1nc(NC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C)ccc1C#N ZINC001126136150 974765974 /nfs/dbraw/zinc/76/59/74/974765974.db2.gz QEHCDGLGMWNFLI-BFYDXBDKSA-N 1 2 366.469 2.731 20 30 FFEDLO Cc1nc(NC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C)ccc1C#N ZINC001126136150 974765978 /nfs/dbraw/zinc/76/59/78/974765978.db2.gz QEHCDGLGMWNFLI-BFYDXBDKSA-N 1 2 366.469 2.731 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ncc(C(C)C)o1 ZINC001027888558 975685824 /nfs/dbraw/zinc/68/58/24/975685824.db2.gz TWPSDIGLMDNDFD-BBWFWOEESA-N 1 2 361.486 2.860 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncc(C(C)C)o1 ZINC001027888558 975685832 /nfs/dbraw/zinc/68/58/32/975685832.db2.gz TWPSDIGLMDNDFD-BBWFWOEESA-N 1 2 361.486 2.860 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2onc3c2CCCC3)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088746070 975708987 /nfs/dbraw/zinc/70/89/87/975708987.db2.gz IWLRNMHWVRUWPZ-APWZRJJASA-N 1 2 363.461 2.798 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2onc3c2CCCC3)CC[N@H+]1CC#Cc1ccccc1 ZINC001088746070 975708994 /nfs/dbraw/zinc/70/89/94/975708994.db2.gz IWLRNMHWVRUWPZ-APWZRJJASA-N 1 2 363.461 2.798 20 30 FFEDLO N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2CCC[N@@H+](CCF)C2)c1 ZINC000898492554 976496282 /nfs/dbraw/zinc/49/62/82/976496282.db2.gz VULGGAJEOQHMAG-KRWDZBQOSA-N 1 2 371.412 2.894 20 30 FFEDLO N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2CCC[N@H+](CCF)C2)c1 ZINC000898492554 976496287 /nfs/dbraw/zinc/49/62/87/976496287.db2.gz VULGGAJEOQHMAG-KRWDZBQOSA-N 1 2 371.412 2.894 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000981657670 976688955 /nfs/dbraw/zinc/68/89/55/976688955.db2.gz BKJOAJTZTJTYCW-MJGOQNOKSA-N 1 2 359.445 2.547 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000981657670 976688961 /nfs/dbraw/zinc/68/89/61/976688961.db2.gz BKJOAJTZTJTYCW-MJGOQNOKSA-N 1 2 359.445 2.547 20 30 FFEDLO Cc1[nH]c(C2CCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)CC2)[nH+]c1C ZINC000899508343 977198301 /nfs/dbraw/zinc/19/83/01/977198301.db2.gz CEAVFHYFADQXSU-IBGZPJMESA-N 1 2 361.449 2.987 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000982173752 977322719 /nfs/dbraw/zinc/32/27/19/977322719.db2.gz QKDHEGPGYJZQRV-PMACEKPBSA-N 1 2 353.466 2.574 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000982173752 977322724 /nfs/dbraw/zinc/32/27/24/977322724.db2.gz QKDHEGPGYJZQRV-PMACEKPBSA-N 1 2 353.466 2.574 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001087440297 977457561 /nfs/dbraw/zinc/45/75/61/977457561.db2.gz SLURIQLHPJYYKV-IAGOWNOFSA-N 1 2 358.873 2.679 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001087440297 977457568 /nfs/dbraw/zinc/45/75/68/977457568.db2.gz SLURIQLHPJYYKV-IAGOWNOFSA-N 1 2 358.873 2.679 20 30 FFEDLO C=CCCn1cc(C[NH2+]C2(c3cccc(OC)c3F)CCOCC2)nn1 ZINC000653648122 1014414365 /nfs/dbraw/zinc/41/43/65/1014414365.db2.gz DKHNXDCXNHLODR-UHFFFAOYSA-N 1 2 360.433 2.797 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)[C@@H]2C1 ZINC001075650455 978049819 /nfs/dbraw/zinc/04/98/19/978049819.db2.gz PKCSORPQGZFQRA-AALSBFMBSA-N 1 2 353.304 2.864 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)[C@@H]2C1 ZINC001075650455 978049827 /nfs/dbraw/zinc/04/98/27/978049827.db2.gz PKCSORPQGZFQRA-AALSBFMBSA-N 1 2 353.304 2.864 20 30 FFEDLO O=[N+]([O-])c1ccc(O)c(/C=N/CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000025258771 978069572 /nfs/dbraw/zinc/06/95/72/978069572.db2.gz XOTADVZVUHDEOW-RCCKNPSSSA-N 1 2 368.437 2.537 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4coc(C5CC5)n4)C[C@H]32)cc1 ZINC001076119147 979126530 /nfs/dbraw/zinc/12/65/30/979126530.db2.gz BEMOBWLMNIDJDV-AZUAARDMSA-N 1 2 361.445 2.880 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4coc(C5CC5)n4)C[C@H]32)cc1 ZINC001076119147 979126538 /nfs/dbraw/zinc/12/65/38/979126538.db2.gz BEMOBWLMNIDJDV-AZUAARDMSA-N 1 2 361.445 2.880 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001076262571 979288967 /nfs/dbraw/zinc/28/89/67/979288967.db2.gz KKUXKFJJRXSNSW-HPBDAGMYSA-N 1 2 373.497 2.596 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001076262571 979288970 /nfs/dbraw/zinc/28/89/70/979288970.db2.gz KKUXKFJJRXSNSW-HPBDAGMYSA-N 1 2 373.497 2.596 20 30 FFEDLO Cc1nc(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)c(C)o1 ZINC001076395228 979452751 /nfs/dbraw/zinc/45/27/51/979452751.db2.gz MAOYPOOWSIGCJP-MAUKXSAKSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1nc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)c(C)o1 ZINC001076395228 979452753 /nfs/dbraw/zinc/45/27/53/979452753.db2.gz MAOYPOOWSIGCJP-MAUKXSAKSA-N 1 2 368.412 2.649 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c([nH]3)CCC4)[C@@H]2C1 ZINC001076447052 979519413 /nfs/dbraw/zinc/51/94/13/979519413.db2.gz NYKQAEKNDVUHTB-XJKSGUPXSA-N 1 2 364.287 2.558 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c([nH]3)CCC4)[C@@H]2C1 ZINC001076447052 979519420 /nfs/dbraw/zinc/51/94/20/979519420.db2.gz NYKQAEKNDVUHTB-XJKSGUPXSA-N 1 2 364.287 2.558 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)CC3CCCC3)[C@H]2C)c1 ZINC001088452375 979661000 /nfs/dbraw/zinc/66/10/00/979661000.db2.gz IGYASJUQZVXNNK-UZLBHIALSA-N 1 2 367.493 2.766 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)CC3CCCC3)[C@H]2C)c1 ZINC001088452375 979661005 /nfs/dbraw/zinc/66/10/05/979661005.db2.gz IGYASJUQZVXNNK-UZLBHIALSA-N 1 2 367.493 2.766 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)n(C(C)(C)C)n3)[C@@H]2C1 ZINC001076578597 979672547 /nfs/dbraw/zinc/67/25/47/979672547.db2.gz KVAYDRWROPGPEY-GOEBONIOSA-N 1 2 350.894 2.845 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)n(C(C)(C)C)n3)[C@@H]2C1 ZINC001076578597 979672552 /nfs/dbraw/zinc/67/25/52/979672552.db2.gz KVAYDRWROPGPEY-GOEBONIOSA-N 1 2 350.894 2.845 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cnc(C(F)(F)F)nc3)[C@@H]2C)C1 ZINC001088844485 979715039 /nfs/dbraw/zinc/71/50/39/979715039.db2.gz SMUOHNVZXBSDPM-OCCSQVGLSA-N 1 2 368.403 2.931 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3cnc(C(F)(F)F)nc3)[C@@H]2C)C1 ZINC001088844485 979715043 /nfs/dbraw/zinc/71/50/43/979715043.db2.gz SMUOHNVZXBSDPM-OCCSQVGLSA-N 1 2 368.403 2.931 20 30 FFEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001272021363 979881679 /nfs/dbraw/zinc/88/16/79/979881679.db2.gz ZPMBRAHEIXBXKH-RBUKOAKNSA-N 1 2 366.440 2.786 20 30 FFEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001272021363 979881683 /nfs/dbraw/zinc/88/16/83/979881683.db2.gz ZPMBRAHEIXBXKH-RBUKOAKNSA-N 1 2 366.440 2.786 20 30 FFEDLO CCCc1ccccc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001077356579 980129947 /nfs/dbraw/zinc/12/99/47/980129947.db2.gz CJSXOZDKFBIGIY-RTBURBONSA-N 1 2 369.490 2.547 20 30 FFEDLO CCCc1ccccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001077356579 980129951 /nfs/dbraw/zinc/12/99/51/980129951.db2.gz CJSXOZDKFBIGIY-RTBURBONSA-N 1 2 369.490 2.547 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088508546 980236024 /nfs/dbraw/zinc/23/60/24/980236024.db2.gz FPCKJMFYDIEHFT-PBHICJAKSA-N 1 2 369.852 2.685 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088508546 980236027 /nfs/dbraw/zinc/23/60/27/980236027.db2.gz FPCKJMFYDIEHFT-PBHICJAKSA-N 1 2 369.852 2.685 20 30 FFEDLO CCOC1CC(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@@H]2C)C1 ZINC001088549256 980554205 /nfs/dbraw/zinc/55/42/05/980554205.db2.gz BVVNXOPJDZKZQV-AVPDKDEGSA-N 1 2 359.445 2.591 20 30 FFEDLO CCOC1CC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@@H]2C)C1 ZINC001088549256 980554210 /nfs/dbraw/zinc/55/42/10/980554210.db2.gz BVVNXOPJDZKZQV-AVPDKDEGSA-N 1 2 359.445 2.591 20 30 FFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000668609675 981265401 /nfs/dbraw/zinc/26/54/01/981265401.db2.gz DMBIWCUZTNMYEV-AEFFLSMTSA-N 1 2 366.465 2.740 20 30 FFEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000908155233 981363810 /nfs/dbraw/zinc/36/38/10/981363810.db2.gz HGCOYBKKFMIRCU-ZDLGFXPLSA-N 1 2 360.502 2.647 20 30 FFEDLO CC(C)Cn1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)n1 ZINC001088596552 981380301 /nfs/dbraw/zinc/38/03/01/981380301.db2.gz GIMNVLNDXMHGGI-APWZRJJASA-N 1 2 365.481 2.804 20 30 FFEDLO CC(C)Cn1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)n1 ZINC001088596552 981380304 /nfs/dbraw/zinc/38/03/04/981380304.db2.gz GIMNVLNDXMHGGI-APWZRJJASA-N 1 2 365.481 2.804 20 30 FFEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000908641239 981496180 /nfs/dbraw/zinc/49/61/80/981496180.db2.gz CXAQFDICKHNDQJ-INIZCTEOSA-N 1 2 368.393 2.920 20 30 FFEDLO C=CCn1c([C@@H]2CCO[C@H]2C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000908690258 981498764 /nfs/dbraw/zinc/49/87/64/981498764.db2.gz KLJFZRLLBSBCQL-DOTOQJQBSA-N 1 2 368.485 2.832 20 30 FFEDLO Cc1noc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)c1C ZINC001088648317 982141942 /nfs/dbraw/zinc/14/19/42/982141942.db2.gz CACIYFNTIOQTAC-QAPCUYQASA-N 1 2 355.413 2.675 20 30 FFEDLO Cc1noc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)c1C ZINC001088648317 982141946 /nfs/dbraw/zinc/14/19/46/982141946.db2.gz CACIYFNTIOQTAC-QAPCUYQASA-N 1 2 355.413 2.675 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C)n(C)n3)[C@@H]2C)cc1 ZINC001088671334 982271538 /nfs/dbraw/zinc/27/15/38/982271538.db2.gz DHQUJDJYVXZUTG-UZLBHIALSA-N 1 2 368.481 2.686 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)n(C)n3)[C@@H]2C)cc1 ZINC001088671334 982271543 /nfs/dbraw/zinc/27/15/43/982271543.db2.gz DHQUJDJYVXZUTG-UZLBHIALSA-N 1 2 368.481 2.686 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001105586212 982433831 /nfs/dbraw/zinc/43/38/31/982433831.db2.gz PCYYBJJNDOXECW-WMZOPIPTSA-N 1 2 358.486 2.538 20 30 FFEDLO NC(=[NH+]OC[C@@H]1CCNC(=O)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000842026299 982620545 /nfs/dbraw/zinc/62/05/45/982620545.db2.gz BKLPLMFYENCTTB-KRWDZBQOSA-N 1 2 367.449 2.819 20 30 FFEDLO CCCc1n[nH]cc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088690650 982758681 /nfs/dbraw/zinc/75/86/81/982758681.db2.gz QEAGDHARNMOVET-ACJLOTCBSA-N 1 2 369.444 2.766 20 30 FFEDLO CCCc1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088690650 982758683 /nfs/dbraw/zinc/75/86/83/982758683.db2.gz QEAGDHARNMOVET-ACJLOTCBSA-N 1 2 369.444 2.766 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3c(C)nc4sccn43)[C@@H]2C1 ZINC001075946198 982875678 /nfs/dbraw/zinc/87/56/78/982875678.db2.gz ZFEZKFGYSANMEI-QWHCGFSZSA-N 1 2 350.875 2.603 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3c(C)nc4sccn43)[C@@H]2C1 ZINC001075946198 982875692 /nfs/dbraw/zinc/87/56/92/982875692.db2.gz ZFEZKFGYSANMEI-QWHCGFSZSA-N 1 2 350.875 2.603 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1)c1ccccc1 ZINC000878193325 1014908436 /nfs/dbraw/zinc/90/84/36/1014908436.db2.gz WULLPEUNPPGVJU-FXAWDEMLSA-N 1 2 351.454 2.733 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1)c1ccccc1 ZINC000878193325 1014908447 /nfs/dbraw/zinc/90/84/47/1014908447.db2.gz WULLPEUNPPGVJU-FXAWDEMLSA-N 1 2 351.454 2.733 20 30 FFEDLO C=C(C)C[C@@H](CO)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000878300821 1014975730 /nfs/dbraw/zinc/97/57/30/1014975730.db2.gz OCSSLPNZZSQZPG-JZXOWHBKSA-N 1 2 361.486 2.744 20 30 FFEDLO C=C(C)C[C@@H](CO)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000878300821 1014975738 /nfs/dbraw/zinc/97/57/38/1014975738.db2.gz OCSSLPNZZSQZPG-JZXOWHBKSA-N 1 2 361.486 2.744 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC000944968436 983995595 /nfs/dbraw/zinc/99/55/95/983995595.db2.gz LTLQCAXMRVYMTI-JXXFODFXSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC000944968436 983995598 /nfs/dbraw/zinc/99/55/98/983995598.db2.gz LTLQCAXMRVYMTI-JXXFODFXSA-N 1 2 370.497 2.567 20 30 FFEDLO C#CC[N@@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C)C1CC1 ZINC000763960365 983995700 /nfs/dbraw/zinc/99/57/00/983995700.db2.gz NCFJYYKXGAQINA-OAQYLSRUSA-N 1 2 356.466 2.759 20 30 FFEDLO C#CC[N@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C)C1CC1 ZINC000763960365 983995702 /nfs/dbraw/zinc/99/57/02/983995702.db2.gz NCFJYYKXGAQINA-OAQYLSRUSA-N 1 2 356.466 2.759 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000945040230 984010077 /nfs/dbraw/zinc/01/00/77/984010077.db2.gz AUBXDYNHCUCTTM-JXXFODFXSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000945040230 984010086 /nfs/dbraw/zinc/01/00/86/984010086.db2.gz AUBXDYNHCUCTTM-JXXFODFXSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(C)Cn1c(CC)nnc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000669307032 984422175 /nfs/dbraw/zinc/42/21/75/984422175.db2.gz YUMMKHSRKOIIPU-MOPGFXCFSA-N 1 2 367.497 2.506 20 30 FFEDLO C=C(C)Cn1c(CC)nnc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000669307032 984422178 /nfs/dbraw/zinc/42/21/78/984422178.db2.gz YUMMKHSRKOIIPU-MOPGFXCFSA-N 1 2 367.497 2.506 20 30 FFEDLO CCC1(Nc2ccc(C#N)cn2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066846665 1015037626 /nfs/dbraw/zinc/03/76/26/1015037626.db2.gz ZQRDULMUJSADJX-HZPDHXFCSA-N 1 2 364.453 2.663 20 30 FFEDLO CCC1(Nc2ccc(C#N)cn2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066846665 1015037634 /nfs/dbraw/zinc/03/76/34/1015037634.db2.gz ZQRDULMUJSADJX-HZPDHXFCSA-N 1 2 364.453 2.663 20 30 FFEDLO CC(C)(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnc(C3CC3)[nH]1)CC2 ZINC001107399890 984507244 /nfs/dbraw/zinc/50/72/44/984507244.db2.gz OJJXVZLIEUDPOZ-IIBYNOLFSA-N 1 2 369.513 2.592 20 30 FFEDLO CC(C)(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnc(C3CC3)[nH]1)CC2 ZINC001107399890 984507250 /nfs/dbraw/zinc/50/72/50/984507250.db2.gz OJJXVZLIEUDPOZ-IIBYNOLFSA-N 1 2 369.513 2.592 20 30 FFEDLO CC#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnc(C(C)C)[nH]1)CC2 ZINC001107513168 984617179 /nfs/dbraw/zinc/61/71/79/984617179.db2.gz QUMRIRNOMZQQEI-DYESRHJHSA-N 1 2 371.529 2.983 20 30 FFEDLO CC#CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnc(C(C)C)[nH]1)CC2 ZINC001107513168 984617183 /nfs/dbraw/zinc/61/71/83/984617183.db2.gz QUMRIRNOMZQQEI-DYESRHJHSA-N 1 2 371.529 2.983 20 30 FFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878490504 1015066810 /nfs/dbraw/zinc/06/68/10/1015066810.db2.gz MLLHKTGOLPCTTI-RDPOXOKHSA-N 1 2 354.450 2.701 20 30 FFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878490504 1015066820 /nfs/dbraw/zinc/06/68/20/1015066820.db2.gz MLLHKTGOLPCTTI-RDPOXOKHSA-N 1 2 354.450 2.701 20 30 FFEDLO Cc1ccccc1-c1nc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)no1 ZINC000158194829 984792202 /nfs/dbraw/zinc/79/22/02/984792202.db2.gz KUOSKSGCHXRLIO-UHFFFAOYSA-N 1 2 350.378 2.817 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCSC[C@H]1c1cnn(C)c1)c1ccccc1 ZINC000878502804 1015074308 /nfs/dbraw/zinc/07/43/08/1015074308.db2.gz HJIQUHBIGQIFKU-PMACEKPBSA-N 1 2 368.506 2.951 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCSC[C@H]1c1cnn(C)c1)c1ccccc1 ZINC000878502804 1015074319 /nfs/dbraw/zinc/07/43/19/1015074319.db2.gz HJIQUHBIGQIFKU-PMACEKPBSA-N 1 2 368.506 2.951 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)[C@H]1C ZINC001088872942 985221829 /nfs/dbraw/zinc/22/18/29/985221829.db2.gz WTCXDPHTHJKSFQ-BVUBDWEXSA-N 1 2 364.287 2.673 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)[C@H]1C ZINC001088872942 985221835 /nfs/dbraw/zinc/22/18/35/985221835.db2.gz WTCXDPHTHJKSFQ-BVUBDWEXSA-N 1 2 364.287 2.673 20 30 FFEDLO CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)c(C)n1 ZINC001088888654 985331839 /nfs/dbraw/zinc/33/18/39/985331839.db2.gz ABTRXVJZMUQMQV-KUHUBIRLSA-N 1 2 369.444 2.615 20 30 FFEDLO CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)c(C)n1 ZINC001088888654 985331846 /nfs/dbraw/zinc/33/18/46/985331846.db2.gz ABTRXVJZMUQMQV-KUHUBIRLSA-N 1 2 369.444 2.615 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccnc(C3CC3)n2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088894828 985356959 /nfs/dbraw/zinc/35/69/59/985356959.db2.gz VEDBPIQBWWJEMV-KDOFPFPSSA-N 1 2 361.449 2.618 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccnc(C3CC3)n2)CC[N@H+]1Cc1ccccc1C#N ZINC001088894828 985356967 /nfs/dbraw/zinc/35/69/67/985356967.db2.gz VEDBPIQBWWJEMV-KDOFPFPSSA-N 1 2 361.449 2.618 20 30 FFEDLO Cc1cc(C)c(N2CC[C@@H]([N@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)C2=O)c(C)c1 ZINC000878773061 1015209751 /nfs/dbraw/zinc/20/97/51/1015209751.db2.gz VPHHKEYCEMUESL-CEXWTWQISA-N 1 2 354.498 2.635 20 30 FFEDLO Cc1cc(C)c(N2CC[C@@H]([N@@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)C2=O)c(C)c1 ZINC000878773061 1015209754 /nfs/dbraw/zinc/20/97/54/1015209754.db2.gz VPHHKEYCEMUESL-CEXWTWQISA-N 1 2 354.498 2.635 20 30 FFEDLO CC(C)[C@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)CC1 ZINC001077897162 986697776 /nfs/dbraw/zinc/69/77/76/986697776.db2.gz LGVFBZBDXJYQAH-GXRSIYKFSA-N 1 2 368.521 2.662 20 30 FFEDLO CC(C)[C@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)CC1 ZINC001077897162 986697782 /nfs/dbraw/zinc/69/77/82/986697782.db2.gz LGVFBZBDXJYQAH-GXRSIYKFSA-N 1 2 368.521 2.662 20 30 FFEDLO N#C[C@@H](Cc1cccs1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc[nH]1 ZINC001272450660 986747150 /nfs/dbraw/zinc/74/71/50/986747150.db2.gz VSEXDYNHARDGKK-OIISXLGYSA-N 1 2 354.479 2.634 20 30 FFEDLO N#C[C@@H](Cc1cccs1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc[nH]1 ZINC001272450660 986747163 /nfs/dbraw/zinc/74/71/63/986747163.db2.gz VSEXDYNHARDGKK-OIISXLGYSA-N 1 2 354.479 2.634 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[C@H](C#N)c3ccncn3)cc2)C[C@H](C)O1 ZINC000672586630 987496248 /nfs/dbraw/zinc/49/62/48/987496248.db2.gz YPKBMHXOURGPPF-RVKKMQEKSA-N 1 2 350.422 2.576 20 30 FFEDLO CCC(CC)[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212491786 987722919 /nfs/dbraw/zinc/72/29/19/987722919.db2.gz MFZWQNYWQUTEDL-IOMROCGXSA-N 1 2 356.510 2.926 20 30 FFEDLO CCC(CC)[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212491786 987722924 /nfs/dbraw/zinc/72/29/24/987722924.db2.gz MFZWQNYWQUTEDL-IOMROCGXSA-N 1 2 356.510 2.926 20 30 FFEDLO Cc1nsc(NCC2(CCNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)c1C#N ZINC001090009651 988039115 /nfs/dbraw/zinc/03/91/15/988039115.db2.gz JOWINDLKGHAXCC-CHWSQXEVSA-N 1 2 370.482 2.548 20 30 FFEDLO Cc1nsc(NCC2(CCNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)c1C#N ZINC001090009651 988039122 /nfs/dbraw/zinc/03/91/22/988039122.db2.gz JOWINDLKGHAXCC-CHWSQXEVSA-N 1 2 370.482 2.548 20 30 FFEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000915032060 988146354 /nfs/dbraw/zinc/14/63/54/988146354.db2.gz DEMJCXICVHQGML-KRWDZBQOSA-N 1 2 372.494 2.618 20 30 FFEDLO C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc4c[nH+]ccc4[nH]2)C3)C1 ZINC001003849957 988334084 /nfs/dbraw/zinc/33/40/84/988334084.db2.gz VAPOKBUZTCKMKJ-KYJSFNMBSA-N 1 2 364.449 2.781 20 30 FFEDLO C=C(C)C[C@H](CO)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000922737479 988852439 /nfs/dbraw/zinc/85/24/39/988852439.db2.gz KNHTUSQQATZTFN-OAHLLOKOSA-N 1 2 353.466 2.670 20 30 FFEDLO C=C(C)C[C@H](CO)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000922737479 988852445 /nfs/dbraw/zinc/85/24/45/988852445.db2.gz KNHTUSQQATZTFN-OAHLLOKOSA-N 1 2 353.466 2.670 20 30 FFEDLO O=C(Nc1nncn1Cc1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000073798035 989056634 /nfs/dbraw/zinc/05/66/34/989056634.db2.gz YBQFIAKTADVTHB-GOSISDBHSA-N 1 2 362.437 2.974 20 30 FFEDLO O=C(Nc1nncn1Cc1ccccc1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000073798035 989056645 /nfs/dbraw/zinc/05/66/45/989056645.db2.gz YBQFIAKTADVTHB-GOSISDBHSA-N 1 2 362.437 2.974 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000132811991 989325857 /nfs/dbraw/zinc/32/58/57/989325857.db2.gz DTRXHWCWOFINDR-PMACEKPBSA-N 1 2 357.404 2.881 20 30 FFEDLO CN(C(=O)[C@@H]1CCO[C@H]1C1CC1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033284464 989488751 /nfs/dbraw/zinc/48/87/51/989488751.db2.gz XODVJFBTVSTGOG-AQNXPRMDSA-N 1 2 371.456 2.545 20 30 FFEDLO CN(C(=O)[C@@H]1CCO[C@H]1C1CC1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033284464 989488758 /nfs/dbraw/zinc/48/87/58/989488758.db2.gz XODVJFBTVSTGOG-AQNXPRMDSA-N 1 2 371.456 2.545 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033286714 989496258 /nfs/dbraw/zinc/49/62/58/989496258.db2.gz NAINZUKJAGGEBM-QRVBRYPASA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033286714 989496261 /nfs/dbraw/zinc/49/62/61/989496261.db2.gz NAINZUKJAGGEBM-QRVBRYPASA-N 1 2 359.445 2.545 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001033497118 989626445 /nfs/dbraw/zinc/62/64/45/989626445.db2.gz JQFOFEKJBQDQKR-DOXZYTNZSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001033497118 989626450 /nfs/dbraw/zinc/62/64/50/989626450.db2.gz JQFOFEKJBQDQKR-DOXZYTNZSA-N 1 2 364.436 2.979 20 30 FFEDLO C[C@@H]1CN(c2ccccc2C=[NH+]Nc2ccc(S(C)(=O)=O)cc2)CCO1 ZINC000915960543 989714644 /nfs/dbraw/zinc/71/46/44/989714644.db2.gz HTHOZKBSRXTQAT-OAHLLOKOSA-N 1 2 373.478 2.761 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000994280544 989882618 /nfs/dbraw/zinc/88/26/18/989882618.db2.gz GKTLCQGWXSSSFC-HZPDHXFCSA-N 1 2 368.481 2.761 20 30 FFEDLO C=CCN(C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)C(C)C ZINC000918062734 990329380 /nfs/dbraw/zinc/32/93/80/990329380.db2.gz LILIPACBSVCFDB-UHFFFAOYSA-N 1 2 358.486 2.696 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000154889675 990572293 /nfs/dbraw/zinc/57/22/93/990572293.db2.gz WQJIAJRNIDFMCM-HNNXBMFYSA-N 1 2 355.442 2.695 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000154889675 990572298 /nfs/dbraw/zinc/57/22/98/990572298.db2.gz WQJIAJRNIDFMCM-HNNXBMFYSA-N 1 2 355.442 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2nocc2C)CC1 ZINC001006109937 991185881 /nfs/dbraw/zinc/18/58/81/991185881.db2.gz XQKOIEUKAGGZLX-HKUYNNGSSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001063054140 991333261 /nfs/dbraw/zinc/33/32/61/991333261.db2.gz JOQGWOWLIABCML-KSZLIROESA-N 1 2 370.497 2.681 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1coc(C)n1 ZINC001089699219 991421628 /nfs/dbraw/zinc/42/16/28/991421628.db2.gz ISFYZRYGJBVMNZ-KSZLIROESA-N 1 2 361.486 2.681 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1coc(C)n1 ZINC001089699219 991421637 /nfs/dbraw/zinc/42/16/37/991421637.db2.gz ISFYZRYGJBVMNZ-KSZLIROESA-N 1 2 361.486 2.681 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2sccc2CC)C1 ZINC001079146836 991803075 /nfs/dbraw/zinc/80/30/75/991803075.db2.gz JXGJGXYYQJBVQM-RTBURBONSA-N 1 2 368.502 2.631 20 30 FFEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2sccc2CC)C1 ZINC001079146836 991803085 /nfs/dbraw/zinc/80/30/85/991803085.db2.gz JXGJGXYYQJBVQM-RTBURBONSA-N 1 2 368.502 2.631 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c(C)coc2C)C1 ZINC001079134877 991821640 /nfs/dbraw/zinc/82/16/40/991821640.db2.gz WWIKHRKZYNKFKB-WOJBJXKFSA-N 1 2 366.461 2.607 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c(C)coc2C)C1 ZINC001079134877 991821648 /nfs/dbraw/zinc/82/16/48/991821648.db2.gz WWIKHRKZYNKFKB-WOJBJXKFSA-N 1 2 366.461 2.607 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(CC)o2)C1 ZINC001079138121 991828435 /nfs/dbraw/zinc/82/84/35/991828435.db2.gz OXAPTRPGOZLHGX-WOJBJXKFSA-N 1 2 366.461 2.553 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(CC)o2)C1 ZINC001079138121 991828443 /nfs/dbraw/zinc/82/84/43/991828443.db2.gz OXAPTRPGOZLHGX-WOJBJXKFSA-N 1 2 366.461 2.553 20 30 FFEDLO NC(=[NH+]OCCOCC(F)(F)F)c1ccc(OCc2cccnc2)cc1 ZINC000181607828 991833669 /nfs/dbraw/zinc/83/36/69/991833669.db2.gz LJXOZDIRLNZLFR-UHFFFAOYSA-N 1 2 369.343 2.876 20 30 FFEDLO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2C)s1 ZINC001079476093 992138168 /nfs/dbraw/zinc/13/81/68/992138168.db2.gz OJKCRRODFQPXJF-BDJLRTHQSA-N 1 2 358.442 2.713 20 30 FFEDLO Cc1ncc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2C)s1 ZINC001079476093 992138170 /nfs/dbraw/zinc/13/81/70/992138170.db2.gz OJKCRRODFQPXJF-BDJLRTHQSA-N 1 2 358.442 2.713 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1ccn(C)c1 ZINC001079570805 992215087 /nfs/dbraw/zinc/21/50/87/992215087.db2.gz YIKBNQHOJAWKSE-DNVCBOLYSA-N 1 2 355.869 2.780 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1ccn(C)c1 ZINC001079570805 992215096 /nfs/dbraw/zinc/21/50/96/992215096.db2.gz YIKBNQHOJAWKSE-DNVCBOLYSA-N 1 2 355.869 2.780 20 30 FFEDLO CCCc1nc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC001079589203 992232533 /nfs/dbraw/zinc/23/25/33/992232533.db2.gz XEQJRMUNVPIRKX-MLGOLLRUSA-N 1 2 357.483 2.546 20 30 FFEDLO CCCc1nc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC001079589203 992232540 /nfs/dbraw/zinc/23/25/40/992232540.db2.gz XEQJRMUNVPIRKX-MLGOLLRUSA-N 1 2 357.483 2.546 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncc(C)o2)CC1(C)C ZINC000941093346 992293211 /nfs/dbraw/zinc/29/32/11/992293211.db2.gz NCFBZNXMKDVAIE-BQFCYCMXSA-N 1 2 361.486 2.681 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)o2)CC1(C)C ZINC000941093346 992293220 /nfs/dbraw/zinc/29/32/20/992293220.db2.gz NCFBZNXMKDVAIE-BQFCYCMXSA-N 1 2 361.486 2.681 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+]([C@H](C)c2ncccn2)C[C@H]1C ZINC001079977667 992637792 /nfs/dbraw/zinc/63/77/92/992637792.db2.gz DNBBQYIORDDAMR-JFIYKMOQSA-N 1 2 366.465 2.853 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ncccn2)C[C@H]1C ZINC001079977667 992637797 /nfs/dbraw/zinc/63/77/97/992637797.db2.gz DNBBQYIORDDAMR-JFIYKMOQSA-N 1 2 366.465 2.853 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@]12CCC[C@H]1OCC2 ZINC001080110317 992742530 /nfs/dbraw/zinc/74/25/30/992742530.db2.gz DXPLOCOTCYTCEF-RIYQWJRFSA-N 1 2 371.456 2.593 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@]12CCC[C@H]1OCC2 ZINC001080110317 992742538 /nfs/dbraw/zinc/74/25/38/992742538.db2.gz DXPLOCOTCYTCEF-RIYQWJRFSA-N 1 2 371.456 2.593 20 30 FFEDLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)nc1C ZINC001080137509 992772395 /nfs/dbraw/zinc/77/23/95/992772395.db2.gz FXPRQUFKJJQKIA-JLTOFOAXSA-N 1 2 366.440 2.960 20 30 FFEDLO Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)nc1C ZINC001080137509 992772401 /nfs/dbraw/zinc/77/24/01/992772401.db2.gz FXPRQUFKJJQKIA-JLTOFOAXSA-N 1 2 366.440 2.960 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001080472256 993078261 /nfs/dbraw/zinc/07/82/61/993078261.db2.gz LHFHDTRQDDJXQL-QOJCHSLYSA-N 1 2 372.896 2.719 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001080472256 993078269 /nfs/dbraw/zinc/07/82/69/993078269.db2.gz LHFHDTRQDDJXQL-QOJCHSLYSA-N 1 2 372.896 2.719 20 30 FFEDLO C=C1CCC(C(=O)NC[C@]23CCC[C@H]2N(C(=O)Cn2cc[nH+]c2)CC3)CC1 ZINC000995392449 993155663 /nfs/dbraw/zinc/15/56/63/993155663.db2.gz NOTQYSLSGBEMSK-WIYYLYMNSA-N 1 2 370.497 2.517 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)c(C)o1 ZINC001080598872 993219185 /nfs/dbraw/zinc/21/91/85/993219185.db2.gz AXDJMRJTQAZRSI-RDTXWAMCSA-N 1 2 369.440 2.786 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)c(C)o1 ZINC001080598872 993219190 /nfs/dbraw/zinc/21/91/90/993219190.db2.gz AXDJMRJTQAZRSI-RDTXWAMCSA-N 1 2 369.440 2.786 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2csc(C(F)(F)F)n2)C1 ZINC001080722676 993330477 /nfs/dbraw/zinc/33/04/77/993330477.db2.gz SWSRYCSJOOKYDY-VXNVDRBHSA-N 1 2 353.797 2.965 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2csc(C(F)(F)F)n2)C1 ZINC001080722676 993330482 /nfs/dbraw/zinc/33/04/82/993330482.db2.gz SWSRYCSJOOKYDY-VXNVDRBHSA-N 1 2 353.797 2.965 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)o1 ZINC001080722764 993331425 /nfs/dbraw/zinc/33/14/25/993331425.db2.gz XTGUHRVQGGPVEO-SJKOYZFVSA-N 1 2 370.428 2.807 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)o1 ZINC001080722764 993331430 /nfs/dbraw/zinc/33/14/30/993331430.db2.gz XTGUHRVQGGPVEO-SJKOYZFVSA-N 1 2 370.428 2.807 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1NC(=O)C(C)C ZINC001081380622 993801342 /nfs/dbraw/zinc/80/13/42/993801342.db2.gz UQLWDSCLRWRKTL-IAGOWNOFSA-N 1 2 368.399 2.528 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1NC(=O)C(C)C ZINC001081380622 993801348 /nfs/dbraw/zinc/80/13/48/993801348.db2.gz UQLWDSCLRWRKTL-IAGOWNOFSA-N 1 2 368.399 2.528 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C1(C2CC2)CCC1 ZINC001081989547 994087645 /nfs/dbraw/zinc/08/76/45/994087645.db2.gz OBBPTCKAYPIBIS-WOJBJXKFSA-N 1 2 370.468 2.573 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C1(C2CC2)CCC1 ZINC001081989547 994087651 /nfs/dbraw/zinc/08/76/51/994087651.db2.gz OBBPTCKAYPIBIS-WOJBJXKFSA-N 1 2 370.468 2.573 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)ccc1C ZINC001081995519 994091438 /nfs/dbraw/zinc/09/14/38/994091438.db2.gz NPPLMLLCJJOLPU-NHCUHLMSSA-N 1 2 366.436 2.615 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)ccc1C ZINC001081995519 994091452 /nfs/dbraw/zinc/09/14/52/994091452.db2.gz NPPLMLLCJJOLPU-NHCUHLMSSA-N 1 2 366.436 2.615 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C[C@@H]1CC=CCC1 ZINC001082029076 994126980 /nfs/dbraw/zinc/12/69/80/994126980.db2.gz HABHZYZMCUPSKZ-CDHQVMDDSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C[C@@H]1CC=CCC1 ZINC001082029076 994126983 /nfs/dbraw/zinc/12/69/83/994126983.db2.gz HABHZYZMCUPSKZ-CDHQVMDDSA-N 1 2 371.456 2.759 20 30 FFEDLO Cn1c[nH+]cc1Cn1c(-c2cnccn2)csc1=Nc1ccccc1C#N ZINC000809935616 994641444 /nfs/dbraw/zinc/64/14/44/994641444.db2.gz WWQXDOYLSKNJOQ-UHFFFAOYSA-N 1 2 373.445 2.892 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C3CC3)n[nH]1)C2 ZINC001097907681 1015882349 /nfs/dbraw/zinc/88/23/49/1015882349.db2.gz JGJQVFCLZRGXHC-POAQFYNOSA-N 1 2 361.449 2.694 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C3CC3)n[nH]1)C2 ZINC001097907681 1015882362 /nfs/dbraw/zinc/88/23/62/1015882362.db2.gz JGJQVFCLZRGXHC-POAQFYNOSA-N 1 2 361.449 2.694 20 30 FFEDLO COc1cccc(NC(=O)[C@@H](C#N)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)c1 ZINC000810529949 994811902 /nfs/dbraw/zinc/81/19/02/994811902.db2.gz RSNRSVHXTBYPHN-HNAYVOBHSA-N 1 2 361.417 2.555 20 30 FFEDLO COc1cccc(NC(=O)[C@@H](C#N)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)c1 ZINC000810529949 994811910 /nfs/dbraw/zinc/81/19/10/994811910.db2.gz RSNRSVHXTBYPHN-HNAYVOBHSA-N 1 2 361.417 2.555 20 30 FFEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082524956 994823542 /nfs/dbraw/zinc/82/35/42/994823542.db2.gz RXPULDIJTBMLNZ-OWYVNGRQSA-N 1 2 361.314 2.534 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082524956 994823548 /nfs/dbraw/zinc/82/35/48/994823548.db2.gz RXPULDIJTBMLNZ-OWYVNGRQSA-N 1 2 361.314 2.534 20 30 FFEDLO CCCc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)n[nH]1 ZINC001082676313 995247421 /nfs/dbraw/zinc/24/74/21/995247421.db2.gz KVFIERGWDPWVMQ-BFUOFWGJSA-N 1 2 369.444 2.623 20 30 FFEDLO C/C=C(\C)C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC001083043114 996040523 /nfs/dbraw/zinc/04/05/23/996040523.db2.gz UONWBCJQPOQRMP-HZQXIFESSA-N 1 2 358.869 2.569 20 30 FFEDLO C/C=C(\C)C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC001083043114 996040527 /nfs/dbraw/zinc/04/05/27/996040527.db2.gz UONWBCJQPOQRMP-HZQXIFESSA-N 1 2 358.869 2.569 20 30 FFEDLO Cc1cc[nH]c1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084318202 996450348 /nfs/dbraw/zinc/45/03/48/996450348.db2.gz NMHAMXFZMVJARC-CRAIPNDOSA-N 1 2 352.413 2.680 20 30 FFEDLO Cc1cc[nH]c1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084318202 996450349 /nfs/dbraw/zinc/45/03/49/996450349.db2.gz NMHAMXFZMVJARC-CRAIPNDOSA-N 1 2 352.413 2.680 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C4(C5CC5)CC4)[C@@H]3C2)c1 ZINC001084433994 996586458 /nfs/dbraw/zinc/58/64/58/996586458.db2.gz RSKKXKNHRGOAPJ-DNVCBOLYSA-N 1 2 353.441 2.920 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)C4(C5CC5)CC4)[C@@H]3C2)c1 ZINC001084433994 996586465 /nfs/dbraw/zinc/58/64/65/996586465.db2.gz RSKKXKNHRGOAPJ-DNVCBOLYSA-N 1 2 353.441 2.920 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cnc4cc[nH]c4c3)[C@@H]2C1 ZINC001084441313 996593591 /nfs/dbraw/zinc/59/35/91/996593591.db2.gz PEFDIHSHJUGSFK-DYESRHJHSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4cc[nH]c4c3)[C@@H]2C1 ZINC001084441313 996593595 /nfs/dbraw/zinc/59/35/95/996593595.db2.gz PEFDIHSHJUGSFK-DYESRHJHSA-N 1 2 371.444 2.781 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4ccc(F)cc4O3)[C@@H]2C1 ZINC001084518818 996639447 /nfs/dbraw/zinc/63/94/47/996639447.db2.gz LUKWHULSQBSAJK-OIISXLGYSA-N 1 2 364.848 2.805 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4ccc(F)cc4O3)[C@@H]2C1 ZINC001084518818 996639449 /nfs/dbraw/zinc/63/94/49/996639449.db2.gz LUKWHULSQBSAJK-OIISXLGYSA-N 1 2 364.848 2.805 20 30 FFEDLO CC(C)n1cnc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)c1 ZINC001084547467 996667082 /nfs/dbraw/zinc/66/70/82/996667082.db2.gz BNJAPLQRVLDCEQ-UYAOXDASSA-N 1 2 363.465 2.682 20 30 FFEDLO CC(C)n1cnc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)c1 ZINC001084547467 996667084 /nfs/dbraw/zinc/66/70/84/996667084.db2.gz BNJAPLQRVLDCEQ-UYAOXDASSA-N 1 2 363.465 2.682 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001084630850 996736557 /nfs/dbraw/zinc/73/65/57/996736557.db2.gz XKWROLMQJLBQNS-HGHGUNKESA-N 1 2 355.482 2.760 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001084630850 996736561 /nfs/dbraw/zinc/73/65/61/996736561.db2.gz XKWROLMQJLBQNS-HGHGUNKESA-N 1 2 355.482 2.760 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](CC#Cc4cccc(Cl)c4)C[C@H]32)O1 ZINC001084673875 996828385 /nfs/dbraw/zinc/82/83/85/996828385.db2.gz XHRKORJMWHGKJG-RARDXLECSA-N 1 2 372.896 2.792 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4cccc(Cl)c4)C[C@H]32)O1 ZINC001084673875 996828402 /nfs/dbraw/zinc/82/84/02/996828402.db2.gz XHRKORJMWHGKJG-RARDXLECSA-N 1 2 372.896 2.792 20 30 FFEDLO O=C1Nc2cc3c(cc2C1=NNc1cc[nH+]c2ccccc12)OCCCO3 ZINC000730148409 996896376 /nfs/dbraw/zinc/89/63/76/996896376.db2.gz UHISYURUUFZZFC-UHFFFAOYSA-N 1 2 360.373 2.586 20 30 FFEDLO C=C(C)COc1cc(C[NH+]2CCC(C#N)(C(=O)OC)CC2)ccc1OC ZINC000824867569 997113721 /nfs/dbraw/zinc/11/37/21/997113721.db2.gz RRTUOJPQUOZPCU-UHFFFAOYSA-N 1 2 358.438 2.929 20 30 FFEDLO Cc1cccn2c(CN3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c[nH+]c12 ZINC001136959298 997143651 /nfs/dbraw/zinc/14/36/51/997143651.db2.gz BGCYBSRSWZBPDG-HNNXBMFYSA-N 1 2 355.442 2.588 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ncoc3C3CC3)[C@@H]2C1 ZINC001084756744 997232615 /nfs/dbraw/zinc/23/26/15/997232615.db2.gz NACYMLVQLSNSFO-QZTJIDSGSA-N 1 2 362.433 2.770 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ncoc3C3CC3)[C@@H]2C1 ZINC001084756744 997232627 /nfs/dbraw/zinc/23/26/27/997232627.db2.gz NACYMLVQLSNSFO-QZTJIDSGSA-N 1 2 362.433 2.770 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(OC)c(C)c(OC)c3)[C@@H]2C1 ZINC001084815966 997512255 /nfs/dbraw/zinc/51/22/55/997512255.db2.gz GVXAKJGIFLECED-GDBMZVCRSA-N 1 2 364.873 2.911 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(OC)c(C)c(OC)c3)[C@@H]2C1 ZINC001084815966 997512273 /nfs/dbraw/zinc/51/22/73/997512273.db2.gz GVXAKJGIFLECED-GDBMZVCRSA-N 1 2 364.873 2.911 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(C)OCCc4ccccc43)[C@@H]2C1 ZINC001084863480 997697107 /nfs/dbraw/zinc/69/71/07/997697107.db2.gz BFMOPXFLHPNETD-POAQFYNOSA-N 1 2 360.885 2.760 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(C)OCCc4ccccc43)[C@@H]2C1 ZINC001084863480 997697109 /nfs/dbraw/zinc/69/71/09/997697109.db2.gz BFMOPXFLHPNETD-POAQFYNOSA-N 1 2 360.885 2.760 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nc(C)c(Cl)c1C)C2 ZINC001096562044 1016146952 /nfs/dbraw/zinc/14/69/52/1016146952.db2.gz WSYQEYWINSGMLT-RDBSUJKOSA-N 1 2 357.285 2.627 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nc(C)c(Cl)c1C)C2 ZINC001096562044 1016146958 /nfs/dbraw/zinc/14/69/58/1016146958.db2.gz WSYQEYWINSGMLT-RDBSUJKOSA-N 1 2 357.285 2.627 20 30 FFEDLO CC(=[NH+]Nc1nc2[nH][nH]cc-2c(=O)n1)c1ccc(N2CCCCCC2)cc1 ZINC000731157071 997719206 /nfs/dbraw/zinc/71/92/06/997719206.db2.gz FCEVQGQIVFWZCD-UHFFFAOYSA-N 1 2 365.441 2.649 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001056452085 1016150425 /nfs/dbraw/zinc/15/04/25/1016150425.db2.gz DIXGJLBYDWRLMB-AHCXZYCDSA-N 1 2 370.497 2.707 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001056452085 1016150427 /nfs/dbraw/zinc/15/04/27/1016150427.db2.gz DIXGJLBYDWRLMB-AHCXZYCDSA-N 1 2 370.497 2.707 20 30 FFEDLO CCC(CC)n1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H](C)C#N)C[C@@H]32)n1 ZINC001084907030 997989833 /nfs/dbraw/zinc/98/98/33/997989833.db2.gz RIRPFIRGBWMGGS-MDZRGWNJSA-N 1 2 357.502 2.827 20 30 FFEDLO CCC(CC)n1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H](C)C#N)C[C@@H]32)n1 ZINC001084907030 997989847 /nfs/dbraw/zinc/98/98/47/997989847.db2.gz RIRPFIRGBWMGGS-MDZRGWNJSA-N 1 2 357.502 2.827 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ncoc3CC)C[C@@H]21 ZINC001084908769 998021274 /nfs/dbraw/zinc/02/12/74/998021274.db2.gz GAZQJGZFWMLJID-OLZOCXBDSA-N 1 2 368.275 2.682 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ncoc3CC)C[C@@H]21 ZINC001084908769 998021290 /nfs/dbraw/zinc/02/12/90/998021290.db2.gz GAZQJGZFWMLJID-OLZOCXBDSA-N 1 2 368.275 2.682 20 30 FFEDLO CC(C)c1cnc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)o1 ZINC001084925751 998116009 /nfs/dbraw/zinc/11/60/09/998116009.db2.gz YVTYEOVGRKUIDA-PBHICJAKSA-N 1 2 367.453 2.734 20 30 FFEDLO CC(C)c1cnc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)o1 ZINC001084925751 998116013 /nfs/dbraw/zinc/11/60/13/998116013.db2.gz YVTYEOVGRKUIDA-PBHICJAKSA-N 1 2 367.453 2.734 20 30 FFEDLO Cc1cc[n+](C(C(=O)C2C=CC(=NC(N)=O)C=C2)C(=S)NC(C)C)cc1 ZINC000732179112 998527146 /nfs/dbraw/zinc/52/71/46/998527146.db2.gz AMWUAVMAZWXCNH-UHFFFAOYSA-O 1 2 371.486 2.794 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](Cc4nccs4)[C@H]3C2)cc1 ZINC001085003462 998643670 /nfs/dbraw/zinc/64/36/70/998643670.db2.gz OILGRBQZBCUCQZ-AEFFLSMTSA-N 1 2 351.475 2.861 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nccs4)[C@H]3C2)cc1 ZINC001085003462 998643672 /nfs/dbraw/zinc/64/36/72/998643672.db2.gz OILGRBQZBCUCQZ-AEFFLSMTSA-N 1 2 351.475 2.861 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066209516 999148294 /nfs/dbraw/zinc/14/82/94/999148294.db2.gz MGRONNKRZXSCFH-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066209516 999148297 /nfs/dbraw/zinc/14/82/97/999148297.db2.gz MGRONNKRZXSCFH-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)c2noc(C)n2)cc1 ZINC001085293258 999316294 /nfs/dbraw/zinc/31/62/94/999316294.db2.gz BEXDNUXSVSMICK-MORSLUCNSA-N 1 2 352.438 2.751 20 30 FFEDLO CC(C)[C@@]1(C)CC(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1=O ZINC000735071889 999387147 /nfs/dbraw/zinc/38/71/47/999387147.db2.gz NUMNHQJQMWXKTF-OAQYLSRUSA-N 1 2 369.465 2.780 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085600726 999583630 /nfs/dbraw/zinc/58/36/30/999583630.db2.gz AOWHNYDNZKKYQS-JLSDUUJJSA-N 1 2 361.511 2.714 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085600726 999583634 /nfs/dbraw/zinc/58/36/34/999583634.db2.gz AOWHNYDNZKKYQS-JLSDUUJJSA-N 1 2 361.511 2.714 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC001085600537 999586239 /nfs/dbraw/zinc/58/62/39/999586239.db2.gz VZRULEYEMYCTQF-MDZRGWNJSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC001085600537 999586244 /nfs/dbraw/zinc/58/62/44/999586244.db2.gz VZRULEYEMYCTQF-MDZRGWNJSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1nc2ccccc2o1 ZINC001085599893 999586352 /nfs/dbraw/zinc/58/63/52/999586352.db2.gz DSJDGWKLPVOISZ-NUJGCVRESA-N 1 2 369.465 2.842 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1nc2ccccc2o1 ZINC001085599893 999586356 /nfs/dbraw/zinc/58/63/56/999586356.db2.gz DSJDGWKLPVOISZ-NUJGCVRESA-N 1 2 369.465 2.842 20 30 FFEDLO N#Cc1ccc(F)c(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741381751 999725633 /nfs/dbraw/zinc/72/56/33/999725633.db2.gz DQNJZASOBDUBIN-IBGZPJMESA-N 1 2 354.381 2.642 20 30 FFEDLO N#Cc1ccc(F)c(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741381751 999725635 /nfs/dbraw/zinc/72/56/35/999725635.db2.gz DQNJZASOBDUBIN-IBGZPJMESA-N 1 2 354.381 2.642 20 30 FFEDLO Cc1nsc(NCC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1C#N ZINC001066398238 999768888 /nfs/dbraw/zinc/76/88/88/999768888.db2.gz YHZQJMUZBMSFLV-BFHYXJOUSA-N 1 2 370.482 2.501 20 30 FFEDLO Cc1nsc(NCC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1C#N ZINC001066398238 999768890 /nfs/dbraw/zinc/76/88/90/999768890.db2.gz YHZQJMUZBMSFLV-BFHYXJOUSA-N 1 2 370.482 2.501 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncs1 ZINC001098184777 999841167 /nfs/dbraw/zinc/84/11/67/999841167.db2.gz HVWZIPMLMXUYDW-BMFZPTHFSA-N 1 2 370.478 2.638 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncs1 ZINC001098184777 999841169 /nfs/dbraw/zinc/84/11/69/999841169.db2.gz HVWZIPMLMXUYDW-BMFZPTHFSA-N 1 2 370.478 2.638 20 30 FFEDLO COc1ccc(CNc2cc(/C=N/[S@@](=O)C(C)(C)C)cc(C)[nH+]2)nn1 ZINC001169467989 1000052336 /nfs/dbraw/zinc/05/23/36/1000052336.db2.gz UUPVZAMDEZXNEW-MULVTOKZSA-N 1 2 361.471 2.682 20 30 FFEDLO C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1OC ZINC000804335421 1000071921 /nfs/dbraw/zinc/07/19/21/1000071921.db2.gz YYPCKSMXHJULHS-DXWDOBMASA-N 1 2 353.422 2.601 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCc2c(F)cccc2[N+](=O)[O-])cc1OC ZINC000103463077 1000086682 /nfs/dbraw/zinc/08/66/82/1000086682.db2.gz WQNNMLUKIBSLNB-UHFFFAOYSA-N 1 2 363.345 2.783 20 30 FFEDLO COC(=O)C=Cc1ccc(OCCO[NH+]=C(N)c2ccc(OC)cc2)cc1 ZINC000767091229 1000099506 /nfs/dbraw/zinc/09/95/06/1000099506.db2.gz OZDOHXNFFGVBPE-XGICHPGQSA-N 1 2 370.405 2.597 20 30 FFEDLO CC[C@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001109042371 1000154255 /nfs/dbraw/zinc/15/42/55/1000154255.db2.gz PQSRNSIFCWJTAW-XWSJACJDSA-N 1 2 360.885 2.838 20 30 FFEDLO CC[C@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001109042371 1000154256 /nfs/dbraw/zinc/15/42/56/1000154256.db2.gz PQSRNSIFCWJTAW-XWSJACJDSA-N 1 2 360.885 2.838 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001109170782 1000179097 /nfs/dbraw/zinc/17/90/97/1000179097.db2.gz WRGXFGTVUVZHLX-AABGKKOBSA-N 1 2 367.493 2.565 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001109170782 1000179099 /nfs/dbraw/zinc/17/90/99/1000179099.db2.gz WRGXFGTVUVZHLX-AABGKKOBSA-N 1 2 367.493 2.565 20 30 FFEDLO CC[C@@H](SC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1OC ZINC001109158569 1000180053 /nfs/dbraw/zinc/18/00/53/1000180053.db2.gz SJKAMECVPPEWTH-VUHPKUFZSA-N 1 2 373.522 2.930 20 30 FFEDLO CC[C@@H](SC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1OC ZINC001109158569 1000180054 /nfs/dbraw/zinc/18/00/54/1000180054.db2.gz SJKAMECVPPEWTH-VUHPKUFZSA-N 1 2 373.522 2.930 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccc(F)cc2o1 ZINC001109204019 1000185659 /nfs/dbraw/zinc/18/56/59/1000185659.db2.gz AFEOFEQQNSUXSA-XXLXZOJFSA-N 1 2 373.428 2.516 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccc(F)cc2o1 ZINC001109204019 1000185662 /nfs/dbraw/zinc/18/56/62/1000185662.db2.gz AFEOFEQQNSUXSA-XXLXZOJFSA-N 1 2 373.428 2.516 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnn(C(C)(C)C)c1 ZINC001109261231 1000205764 /nfs/dbraw/zinc/20/57/64/1000205764.db2.gz XNYAWCFFYWHCKB-SQNIBIBYSA-N 1 2 356.514 2.909 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnn(C(C)(C)C)c1 ZINC001109261231 1000205766 /nfs/dbraw/zinc/20/57/66/1000205766.db2.gz XNYAWCFFYWHCKB-SQNIBIBYSA-N 1 2 356.514 2.909 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)C1(C(F)F)CC1 ZINC001109285913 1000228295 /nfs/dbraw/zinc/22/82/95/1000228295.db2.gz SGZUTCLLCHUKOS-IKGGRYGDSA-N 1 2 362.395 2.944 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)C1(C(F)F)CC1 ZINC001109285913 1000228302 /nfs/dbraw/zinc/22/83/02/1000228302.db2.gz SGZUTCLLCHUKOS-IKGGRYGDSA-N 1 2 362.395 2.944 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scc(C)c1Cl)C2 ZINC001109325114 1000273174 /nfs/dbraw/zinc/27/31/74/1000273174.db2.gz WDNWVRZWWYSTSS-RDBSUJKOSA-N 1 2 352.887 2.695 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scc(C)c1Cl)C2 ZINC001109325114 1000273179 /nfs/dbraw/zinc/27/31/79/1000273179.db2.gz WDNWVRZWWYSTSS-RDBSUJKOSA-N 1 2 352.887 2.695 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001091291345 1000377592 /nfs/dbraw/zinc/37/75/92/1000377592.db2.gz CBEXSAIGTNCXRU-BZUAXINKSA-N 1 2 360.506 2.688 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(C#N)cc1F)n1cc[nH+]c1 ZINC001091296023 1000381303 /nfs/dbraw/zinc/38/13/03/1000381303.db2.gz PKTCXRLUVBEQIZ-KBRIMQKVSA-N 1 2 370.432 2.779 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C(C)(C)C)C2 ZINC001109433204 1000450248 /nfs/dbraw/zinc/45/02/48/1000450248.db2.gz CZUHYGSHBRTNIA-MNEFBYGVSA-N 1 2 369.509 2.621 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C(C)(C)C)C2 ZINC001109433204 1000450252 /nfs/dbraw/zinc/45/02/52/1000450252.db2.gz CZUHYGSHBRTNIA-MNEFBYGVSA-N 1 2 369.509 2.621 20 30 FFEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000846985792 1000504589 /nfs/dbraw/zinc/50/45/89/1000504589.db2.gz HHAXMCJXFGKNQF-LSDHHAIUSA-N 1 2 368.437 2.818 20 30 FFEDLO COCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109524474 1000593441 /nfs/dbraw/zinc/59/34/41/1000593441.db2.gz TZAOYJWOJXPIEU-NJAFHUGGSA-N 1 2 359.445 2.591 20 30 FFEDLO COCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109524474 1000593446 /nfs/dbraw/zinc/59/34/46/1000593446.db2.gz TZAOYJWOJXPIEU-NJAFHUGGSA-N 1 2 359.445 2.591 20 30 FFEDLO COCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)CCC1 ZINC001109531281 1000608964 /nfs/dbraw/zinc/60/89/64/1000608964.db2.gz UINUZVWJYKCZRO-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO COCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)CCC1 ZINC001109531281 1000608967 /nfs/dbraw/zinc/60/89/67/1000608967.db2.gz UINUZVWJYKCZRO-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001109562891 1000647363 /nfs/dbraw/zinc/64/73/63/1000647363.db2.gz CKDITKFGUQHKTD-LXZJYRNTSA-N 1 2 361.461 2.671 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001109562891 1000647366 /nfs/dbraw/zinc/64/73/66/1000647366.db2.gz CKDITKFGUQHKTD-LXZJYRNTSA-N 1 2 361.461 2.671 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)C1CCC1 ZINC001109573173 1000661383 /nfs/dbraw/zinc/66/13/83/1000661383.db2.gz BKCIOKKQEUOZGK-IVAOSVALSA-N 1 2 370.468 2.714 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)C1CCC1 ZINC001109573173 1000661386 /nfs/dbraw/zinc/66/13/86/1000661386.db2.gz BKCIOKKQEUOZGK-IVAOSVALSA-N 1 2 370.468 2.714 20 30 FFEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC(C)(C)C)CC1 ZINC001109681990 1000836910 /nfs/dbraw/zinc/83/69/10/1000836910.db2.gz OUKHXJSOMZTREK-IKGGRYGDSA-N 1 2 361.530 2.617 20 30 FFEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC(C)(C)C)CC1 ZINC001109681990 1000836913 /nfs/dbraw/zinc/83/69/13/1000836913.db2.gz OUKHXJSOMZTREK-IKGGRYGDSA-N 1 2 361.530 2.617 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000770590573 1000847855 /nfs/dbraw/zinc/84/78/55/1000847855.db2.gz XBBDNOAJBUBONW-ZDUSSCGKSA-N 1 2 357.389 2.873 20 30 FFEDLO C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H](CNc2ccc(C#N)nc2)C1 ZINC001091684964 1001055987 /nfs/dbraw/zinc/05/59/87/1001055987.db2.gz WYGAWXFZUFPMMU-APWZRJJASA-N 1 2 366.469 2.669 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cn2c(n1)CCCC2 ZINC001095490601 1016477259 /nfs/dbraw/zinc/47/72/59/1016477259.db2.gz VMRFIXGARFANPW-DYXWJJEUSA-N 1 2 374.488 2.606 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cn2c(n1)CCCC2 ZINC001095490601 1016477263 /nfs/dbraw/zinc/47/72/63/1016477263.db2.gz VMRFIXGARFANPW-DYXWJJEUSA-N 1 2 374.488 2.606 20 30 FFEDLO C#CCN1C[C@@]2(F)C[N@@H+](Cc3c(C)ccc4ccccc43)C[C@@]2(F)C1=O ZINC001276185784 1016491638 /nfs/dbraw/zinc/49/16/38/1016491638.db2.gz NMYBGYDPCPQTMG-LEWJYISDSA-N 1 2 354.400 2.856 20 30 FFEDLO C#CCN1C[C@@]2(F)C[N@H+](Cc3c(C)ccc4ccccc43)C[C@@]2(F)C1=O ZINC001276185784 1016491643 /nfs/dbraw/zinc/49/16/43/1016491643.db2.gz NMYBGYDPCPQTMG-LEWJYISDSA-N 1 2 354.400 2.856 20 30 FFEDLO C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1CNc1ccc(C#N)cn1 ZINC001054694035 1016497003 /nfs/dbraw/zinc/49/70/03/1016497003.db2.gz ISTZLVPCJMFNES-CZUORRHYSA-N 1 2 360.421 2.650 20 30 FFEDLO CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)cn1 ZINC001097957021 1016502911 /nfs/dbraw/zinc/50/29/11/1016502911.db2.gz UPHSVGOADDKBSH-OLMNPRSZSA-N 1 2 369.494 2.762 20 30 FFEDLO CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)cn1 ZINC001097957021 1016502918 /nfs/dbraw/zinc/50/29/18/1016502918.db2.gz UPHSVGOADDKBSH-OLMNPRSZSA-N 1 2 369.494 2.762 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[C@H]2CCCO2)C3)c(F)c1 ZINC001110310967 1001918135 /nfs/dbraw/zinc/91/81/35/1001918135.db2.gz JQHARZLPUYHTGA-LFGUQSLTSA-N 1 2 371.456 2.878 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[C@H]2CCCO2)C3)c(F)c1 ZINC001110310967 1001918141 /nfs/dbraw/zinc/91/81/41/1001918141.db2.gz JQHARZLPUYHTGA-LFGUQSLTSA-N 1 2 371.456 2.878 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001091910246 1002062972 /nfs/dbraw/zinc/06/29/72/1002062972.db2.gz OHKLLZVTLNRKRX-SXGZJXTBSA-N 1 2 359.518 2.811 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+]([C@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001091910246 1002062982 /nfs/dbraw/zinc/06/29/82/1002062982.db2.gz OHKLLZVTLNRKRX-SXGZJXTBSA-N 1 2 359.518 2.811 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C5CC5)[nH]4)C[C@@]3(C)C2)CC1 ZINC001091978868 1002238909 /nfs/dbraw/zinc/23/89/09/1002238909.db2.gz IVXNVBNGQJYCCH-UTKZUKDTSA-N 1 2 369.513 2.709 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C5CC5)[nH]4)C[C@@]3(C)C2)CC1 ZINC001091978868 1002238918 /nfs/dbraw/zinc/23/89/18/1002238918.db2.gz IVXNVBNGQJYCCH-UTKZUKDTSA-N 1 2 369.513 2.709 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(c2[nH+]c(C)nc(-n3cccn3)c2C)[C@@H]1C ZINC001092034181 1002251466 /nfs/dbraw/zinc/25/14/66/1002251466.db2.gz VFZPTXFZDTZFTM-ZBFHGGJFSA-N 1 2 368.485 2.575 20 30 FFEDLO N#Cc1ccc([C@H](O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000790156559 1002295024 /nfs/dbraw/zinc/29/50/24/1002295024.db2.gz FBETYHIGEKJJHB-IBGZPJMESA-N 1 2 364.449 2.531 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001096835351 1016612624 /nfs/dbraw/zinc/61/26/24/1016612624.db2.gz DXTMJCMSVLHNFY-KURKYZTESA-N 1 2 370.497 2.950 20 30 FFEDLO CO[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)[C@H](C)C1 ZINC001183835570 1002404999 /nfs/dbraw/zinc/40/49/99/1002404999.db2.gz NAMYIYPIMFLMAF-NSISKUIASA-N 1 2 355.482 2.939 20 30 FFEDLO CO[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)[C@H](C)C1 ZINC001183835570 1002405007 /nfs/dbraw/zinc/40/50/07/1002405007.db2.gz NAMYIYPIMFLMAF-NSISKUIASA-N 1 2 355.482 2.939 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(F)ccc(C#N)c1F ZINC001276252090 1016618886 /nfs/dbraw/zinc/61/88/86/1016618886.db2.gz HUVICVQUJDBIRG-IAGOWNOFSA-N 1 2 358.392 2.706 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(F)ccc(C#N)c1F ZINC001276252090 1016618891 /nfs/dbraw/zinc/61/88/91/1016618891.db2.gz HUVICVQUJDBIRG-IAGOWNOFSA-N 1 2 358.392 2.706 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2O)C3)ccc1F ZINC001096823132 1016653312 /nfs/dbraw/zinc/65/33/12/1016653312.db2.gz FVYTWNVKJYYSOQ-LZQZEXGQSA-N 1 2 365.408 2.938 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2O)C3)ccc1F ZINC001096823132 1016653315 /nfs/dbraw/zinc/65/33/15/1016653315.db2.gz FVYTWNVKJYYSOQ-LZQZEXGQSA-N 1 2 365.408 2.938 20 30 FFEDLO Cc1nc(N2C[C@@H]3CN(C(=O)C#CC(C)C)C[C@]3(C)C2)c2c([nH+]1)CCCC2 ZINC001092289266 1002698874 /nfs/dbraw/zinc/69/88/74/1002698874.db2.gz XZPMZOKYSTWRNJ-HTAPYJJXSA-N 1 2 366.509 2.608 20 30 FFEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001092346483 1002718573 /nfs/dbraw/zinc/71/85/73/1002718573.db2.gz IBJLIPZKEKBFGD-MZMPZRCHSA-N 1 2 360.502 2.572 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC001086604890 1002894528 /nfs/dbraw/zinc/89/45/28/1002894528.db2.gz AEMULYXLNXMRAO-UONOGXRCSA-N 1 2 363.870 2.799 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC001086604890 1002894537 /nfs/dbraw/zinc/89/45/37/1002894537.db2.gz AEMULYXLNXMRAO-UONOGXRCSA-N 1 2 363.870 2.799 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(Cl)c1 ZINC001110366516 1003016036 /nfs/dbraw/zinc/01/60/36/1003016036.db2.gz ULJJEUFOPDPWTP-SVGFKBNWSA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(Cl)c1 ZINC001110366516 1003016048 /nfs/dbraw/zinc/01/60/48/1003016048.db2.gz ULJJEUFOPDPWTP-SVGFKBNWSA-N 1 2 363.889 2.938 20 30 FFEDLO CC[C@@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001110368873 1003055644 /nfs/dbraw/zinc/05/56/44/1003055644.db2.gz PQSRNSIFCWJTAW-AKHDSKFASA-N 1 2 360.885 2.838 20 30 FFEDLO CC[C@@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001110368873 1003055656 /nfs/dbraw/zinc/05/56/56/1003055656.db2.gz PQSRNSIFCWJTAW-AKHDSKFASA-N 1 2 360.885 2.838 20 30 FFEDLO CCOC(=O)[C@H](C#N)Nc1ccc2c(c1)[nH+]cn2-c1ccccc1OC ZINC001170377963 1003142768 /nfs/dbraw/zinc/14/27/68/1003142768.db2.gz QYHJXPFUEKQZLS-HNNXBMFYSA-N 1 2 350.378 2.901 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NCC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC001092568684 1003142753 /nfs/dbraw/zinc/14/27/53/1003142753.db2.gz IHVVTTHKHCQCFH-OWCLPIDISA-N 1 2 370.501 2.544 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)o1 ZINC001096915041 1016731166 /nfs/dbraw/zinc/73/11/66/1016731166.db2.gz KAWVMMIBELFKDK-WQVCFCJDSA-N 1 2 356.451 2.760 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)o1 ZINC001096915041 1016731175 /nfs/dbraw/zinc/73/11/75/1016731175.db2.gz KAWVMMIBELFKDK-WQVCFCJDSA-N 1 2 356.451 2.760 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=C)Cl)C[C@H]1c1ccccc1 ZINC001086609552 1003208996 /nfs/dbraw/zinc/20/89/96/1003208996.db2.gz LZHAJLHVIQDSOZ-HCXYKTFWSA-N 1 2 360.885 2.914 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=C)Cl)C[C@H]1c1ccccc1 ZINC001086609552 1003209003 /nfs/dbraw/zinc/20/90/03/1003209003.db2.gz LZHAJLHVIQDSOZ-HCXYKTFWSA-N 1 2 360.885 2.914 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1c(C)cccc1C ZINC001110377152 1003220514 /nfs/dbraw/zinc/22/05/14/1003220514.db2.gz ANFLINCOFBSQIX-KURKYZTESA-N 1 2 355.482 2.930 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1c(C)cccc1C ZINC001110377152 1003220522 /nfs/dbraw/zinc/22/05/22/1003220522.db2.gz ANFLINCOFBSQIX-KURKYZTESA-N 1 2 355.482 2.930 20 30 FFEDLO CCOC(=O)CC[C@@H]1CCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793511039 1003391323 /nfs/dbraw/zinc/39/13/23/1003391323.db2.gz HYDOSNFSPJXFRX-INIZCTEOSA-N 1 2 371.481 2.612 20 30 FFEDLO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793511039 1003391337 /nfs/dbraw/zinc/39/13/37/1003391337.db2.gz HYDOSNFSPJXFRX-INIZCTEOSA-N 1 2 371.481 2.612 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CCCCO2)C3)c(F)c1 ZINC001096939851 1016766297 /nfs/dbraw/zinc/76/62/97/1016766297.db2.gz HWAWAIANONWJOT-LFGUQSLTSA-N 1 2 371.456 2.878 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CCCCO2)C3)c(F)c1 ZINC001096939851 1016766310 /nfs/dbraw/zinc/76/63/10/1016766310.db2.gz HWAWAIANONWJOT-LFGUQSLTSA-N 1 2 371.456 2.878 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1coc(-c2ccccc2)n1 ZINC001110385081 1003443728 /nfs/dbraw/zinc/44/37/28/1003443728.db2.gz LBHWFCBTGRCXSI-QRVBRYPASA-N 1 2 367.449 2.766 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1coc(-c2ccccc2)n1 ZINC001110385081 1003443740 /nfs/dbraw/zinc/44/37/40/1003443740.db2.gz LBHWFCBTGRCXSI-QRVBRYPASA-N 1 2 367.449 2.766 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(-n3cccc3)c1)C2 ZINC001095579980 1016794849 /nfs/dbraw/zinc/79/48/49/1016794849.db2.gz HUZJKDYAJRRLOK-IKGGRYGDSA-N 1 2 356.857 2.960 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(-n3cccc3)c1)C2 ZINC001095579980 1016794855 /nfs/dbraw/zinc/79/48/55/1016794855.db2.gz HUZJKDYAJRRLOK-IKGGRYGDSA-N 1 2 356.857 2.960 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3c2c(F)ccc3F)C[C@H]1O ZINC001196475428 1003781064 /nfs/dbraw/zinc/78/10/64/1003781064.db2.gz VEQZTWKHYHYGTE-IXDOHACOSA-N 1 2 364.436 2.716 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCc3c2c(F)ccc3F)C[C@H]1O ZINC001196475428 1003781072 /nfs/dbraw/zinc/78/10/72/1003781072.db2.gz VEQZTWKHYHYGTE-IXDOHACOSA-N 1 2 364.436 2.716 20 30 FFEDLO CCCCC[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001196701030 1003917665 /nfs/dbraw/zinc/91/76/65/1003917665.db2.gz OHXRHNWELZMFRC-CEWLAPEOSA-N 1 2 356.510 2.806 20 30 FFEDLO CCCCC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001196701030 1003917671 /nfs/dbraw/zinc/91/76/71/1003917671.db2.gz OHXRHNWELZMFRC-CEWLAPEOSA-N 1 2 356.510 2.806 20 30 FFEDLO CC(C)[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001191705419 1003919764 /nfs/dbraw/zinc/91/97/64/1003919764.db2.gz PVKPJYULMHAERZ-ATZDWAIDSA-N 1 2 362.901 2.535 20 30 FFEDLO CC(C)[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001191705419 1003919772 /nfs/dbraw/zinc/91/97/72/1003919772.db2.gz PVKPJYULMHAERZ-ATZDWAIDSA-N 1 2 362.901 2.535 20 30 FFEDLO COc1cc(C#N)ccc1OCCOC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000805526033 1004038979 /nfs/dbraw/zinc/03/89/79/1004038979.db2.gz SSUMOZMBIXYQQN-LJQANCHMSA-N 1 2 354.406 2.792 20 30 FFEDLO CN(C)c1cc(COC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc[nH+]1 ZINC000805590527 1004064634 /nfs/dbraw/zinc/06/46/34/1004064634.db2.gz VZYYMDNNDPCTIC-INIZCTEOSA-N 1 2 368.412 2.728 20 30 FFEDLO C#C[C@H](NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCO1 ZINC000775518392 1004116047 /nfs/dbraw/zinc/11/60/47/1004116047.db2.gz FRXQPZMPTXXOFG-WBQJQJEBSA-N 1 2 371.481 2.598 20 30 FFEDLO C#C[C@H](NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCO1 ZINC000775518392 1004116056 /nfs/dbraw/zinc/11/60/56/1004116056.db2.gz FRXQPZMPTXXOFG-WBQJQJEBSA-N 1 2 371.481 2.598 20 30 FFEDLO CCC[C@H](CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001197267784 1004148825 /nfs/dbraw/zinc/14/88/25/1004148825.db2.gz YMAXTZJEPJSRTN-QXAKKESOSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC[C@H](CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001197267784 1004148828 /nfs/dbraw/zinc/14/88/28/1004148828.db2.gz YMAXTZJEPJSRTN-QXAKKESOSA-N 1 2 362.901 2.679 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)N(C)CCO3)C2 ZINC001095615728 1016863824 /nfs/dbraw/zinc/86/38/24/1016863824.db2.gz DMHDWZFKAATCCN-PMPSAXMXSA-N 1 2 361.873 2.603 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)N(C)CCO3)C2 ZINC001095615728 1016863837 /nfs/dbraw/zinc/86/38/37/1016863837.db2.gz DMHDWZFKAATCCN-PMPSAXMXSA-N 1 2 361.873 2.603 20 30 FFEDLO CC[C@H](C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110455692 1004403600 /nfs/dbraw/zinc/40/36/00/1004403600.db2.gz KAWDWBGULGVOIZ-QVSURHGTSA-N 1 2 359.445 2.734 20 30 FFEDLO CC[C@H](C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110455692 1004403604 /nfs/dbraw/zinc/40/36/04/1004403604.db2.gz KAWDWBGULGVOIZ-QVSURHGTSA-N 1 2 359.445 2.734 20 30 FFEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001198068633 1004484963 /nfs/dbraw/zinc/48/49/63/1004484963.db2.gz KGYLYAGDPSAIHS-RTBURBONSA-N 1 2 364.534 2.612 20 30 FFEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001198068633 1004484967 /nfs/dbraw/zinc/48/49/67/1004484967.db2.gz KGYLYAGDPSAIHS-RTBURBONSA-N 1 2 364.534 2.612 20 30 FFEDLO CCCCCCCCCCC(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1O ZINC001198069324 1004486580 /nfs/dbraw/zinc/48/65/80/1004486580.db2.gz WNUFAELHDABLTA-RTBURBONSA-N 1 2 364.534 2.612 20 30 FFEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1O ZINC001198069324 1004486584 /nfs/dbraw/zinc/48/65/84/1004486584.db2.gz WNUFAELHDABLTA-RTBURBONSA-N 1 2 364.534 2.612 20 30 FFEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1O ZINC001198069324 1004486588 /nfs/dbraw/zinc/48/65/88/1004486588.db2.gz WNUFAELHDABLTA-RTBURBONSA-N 1 2 364.534 2.612 20 30 FFEDLO COc1ccc(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C#N ZINC000747430480 1004709319 /nfs/dbraw/zinc/70/93/19/1004709319.db2.gz BGNAIAFNLDQGIB-YOEHRIQHSA-N 1 2 353.426 2.556 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1O)c1ccccc1 ZINC001198956408 1004792900 /nfs/dbraw/zinc/79/29/00/1004792900.db2.gz VTESWQSOBVXVCA-MISYRCLQSA-N 1 2 370.880 2.971 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1O)c1ccccc1 ZINC001198956408 1004792904 /nfs/dbraw/zinc/79/29/04/1004792904.db2.gz VTESWQSOBVXVCA-MISYRCLQSA-N 1 2 370.880 2.971 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)CCCCC1 ZINC001198963112 1004795446 /nfs/dbraw/zinc/79/54/46/1004795446.db2.gz WHWKHJNQCVDNRB-IAGOWNOFSA-N 1 2 361.511 2.642 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)CCCCC1 ZINC001198963112 1004795450 /nfs/dbraw/zinc/79/54/50/1004795450.db2.gz WHWKHJNQCVDNRB-IAGOWNOFSA-N 1 2 361.511 2.642 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cncc(C)c3)C[C@H]2O)CCCCC1 ZINC001198944959 1004803260 /nfs/dbraw/zinc/80/32/60/1004803260.db2.gz RPXSISFHUSLEFD-RTBURBONSA-N 1 2 357.498 2.578 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cncc(C)c3)C[C@H]2O)CCCCC1 ZINC001198944959 1004803264 /nfs/dbraw/zinc/80/32/64/1004803264.db2.gz RPXSISFHUSLEFD-RTBURBONSA-N 1 2 357.498 2.578 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc3ccccc3o2)C[C@H]1O ZINC001195254705 1004924384 /nfs/dbraw/zinc/92/43/84/1004924384.db2.gz FGQGRALJAPHRHT-FVQBIDKESA-N 1 2 357.454 2.652 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc3ccccc3o2)C[C@H]1O ZINC001195254705 1004924386 /nfs/dbraw/zinc/92/43/86/1004924386.db2.gz FGQGRALJAPHRHT-FVQBIDKESA-N 1 2 357.454 2.652 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(C)(C)C(F)(F)F)cc1C#N ZINC001273864647 1005138391 /nfs/dbraw/zinc/13/83/91/1005138391.db2.gz QAPVIJYEMLBQLX-OKILXGFUSA-N 1 2 368.403 2.660 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(C)(C)C(F)(F)F)cc1C#N ZINC001273864647 1005138394 /nfs/dbraw/zinc/13/83/94/1005138394.db2.gz QAPVIJYEMLBQLX-OKILXGFUSA-N 1 2 368.403 2.660 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(C)cn1 ZINC001110559765 1005157607 /nfs/dbraw/zinc/15/76/07/1005157607.db2.gz LALNWIGCOSLYQT-AQNXPRMDSA-N 1 2 372.513 2.770 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(C)cn1 ZINC001110559765 1005157611 /nfs/dbraw/zinc/15/76/11/1005157611.db2.gz LALNWIGCOSLYQT-AQNXPRMDSA-N 1 2 372.513 2.770 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1c1ccccc1 ZINC001488889838 1005372035 /nfs/dbraw/zinc/37/20/35/1005372035.db2.gz NDDIJNRACAARDA-YTQUADARSA-N 1 2 367.497 2.502 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1c1ccccc1 ZINC001488889838 1005372037 /nfs/dbraw/zinc/37/20/37/1005372037.db2.gz NDDIJNRACAARDA-YTQUADARSA-N 1 2 367.497 2.502 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nc3ccccc3c(=O)[nH]2)[C@@H]1CC ZINC001489111068 1005411320 /nfs/dbraw/zinc/41/13/20/1005411320.db2.gz BTBIQPDLCPUXTI-ZWKOTPCHSA-N 1 2 366.465 2.608 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)[C@@H]1CC ZINC001489111068 1005411321 /nfs/dbraw/zinc/41/13/21/1005411321.db2.gz BTBIQPDLCPUXTI-ZWKOTPCHSA-N 1 2 366.465 2.608 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@@H+]1Cc1nc(-c2cccs2)no1 ZINC001489114291 1005412302 /nfs/dbraw/zinc/41/23/02/1005412302.db2.gz IMBNNCYIYUSATD-LSDHHAIUSA-N 1 2 370.478 2.681 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@H+]1Cc1nc(-c2cccs2)no1 ZINC001489114291 1005412303 /nfs/dbraw/zinc/41/23/03/1005412303.db2.gz IMBNNCYIYUSATD-LSDHHAIUSA-N 1 2 370.478 2.681 20 30 FFEDLO Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](NC(=O)C#CC4CC4)[C@H]3C)o2)cc1 ZINC001489263985 1005443392 /nfs/dbraw/zinc/44/33/92/1005443392.db2.gz HFDJZXPDJWTOHS-QAPCUYQASA-N 1 2 364.449 2.537 20 30 FFEDLO Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](NC(=O)C#CC4CC4)[C@H]3C)o2)cc1 ZINC001489263985 1005443393 /nfs/dbraw/zinc/44/33/93/1005443393.db2.gz HFDJZXPDJWTOHS-QAPCUYQASA-N 1 2 364.449 2.537 20 30 FFEDLO COc1ccc2nc(C[N@@H+]3CC[C@H](NC(=O)C#CC4CC4)[C@H]3C)sc2c1 ZINC001489265440 1005443873 /nfs/dbraw/zinc/44/38/73/1005443873.db2.gz VHAPVJKTXDPFLQ-CJNGLKHVSA-N 1 2 369.490 2.797 20 30 FFEDLO COc1ccc2nc(C[N@H+]3CC[C@H](NC(=O)C#CC4CC4)[C@H]3C)sc2c1 ZINC001489265440 1005443875 /nfs/dbraw/zinc/44/38/75/1005443875.db2.gz VHAPVJKTXDPFLQ-CJNGLKHVSA-N 1 2 369.490 2.797 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCc3ccccc32)[C@@H]1C ZINC001489295074 1005451785 /nfs/dbraw/zinc/45/17/85/1005451785.db2.gz YQICOTMWFMJAST-AEFFLSMTSA-N 1 2 369.509 2.757 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCc3ccccc32)[C@@H]1C ZINC001489295074 1005451786 /nfs/dbraw/zinc/45/17/86/1005451786.db2.gz YQICOTMWFMJAST-AEFFLSMTSA-N 1 2 369.509 2.757 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001490340928 1005699379 /nfs/dbraw/zinc/69/93/79/1005699379.db2.gz OACYCDDBAZULNG-UKRRQHHQSA-N 1 2 354.454 2.599 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(Cl)c1 ZINC001110391163 1005959006 /nfs/dbraw/zinc/95/90/06/1005959006.db2.gz ABIBPLKVSZIIOG-XYPHTWIQSA-N 1 2 352.837 2.903 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(Cl)c1 ZINC001110391163 1005959009 /nfs/dbraw/zinc/95/90/09/1005959009.db2.gz ABIBPLKVSZIIOG-XYPHTWIQSA-N 1 2 352.837 2.903 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)OCCCC)[C@@H]2C1 ZINC001187167478 1005962004 /nfs/dbraw/zinc/96/20/04/1005962004.db2.gz CIBCLCBNGXVZLR-SOUVJXGZSA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)OCCCC)[C@@H]2C1 ZINC001187167478 1005962007 /nfs/dbraw/zinc/96/20/07/1005962007.db2.gz CIBCLCBNGXVZLR-SOUVJXGZSA-N 1 2 359.308 2.633 20 30 FFEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000852332286 1005982022 /nfs/dbraw/zinc/98/20/22/1005982022.db2.gz QCXNZXQJLAGSTO-HSZRJFAPSA-N 1 2 374.488 2.914 20 30 FFEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000852332286 1005982028 /nfs/dbraw/zinc/98/20/28/1005982028.db2.gz QCXNZXQJLAGSTO-HSZRJFAPSA-N 1 2 374.488 2.914 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H]3CCN(C(=O)C[C@H](C)CC)[C@@H]3C2)c1 ZINC001187699256 1006205976 /nfs/dbraw/zinc/20/59/76/1006205976.db2.gz VURXTKBJTUAFML-IMFGXOCKSA-N 1 2 367.493 2.575 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)C[C@H](C)CC)[C@@H]3C2)c1 ZINC001187699256 1006205984 /nfs/dbraw/zinc/20/59/84/1006205984.db2.gz VURXTKBJTUAFML-IMFGXOCKSA-N 1 2 367.493 2.575 20 30 FFEDLO COc1ccc2nc(C[N@@H+]3[C@@H]4CC[C@H]3[C@H](NC(=O)[C@@H](C)C#N)C4)sc2c1 ZINC001110396004 1006220135 /nfs/dbraw/zinc/22/01/35/1006220135.db2.gz IXYQWFYEQZMGBK-OJDYBEQGSA-N 1 2 370.478 2.686 20 30 FFEDLO COc1ccc2nc(C[N@H+]3[C@@H]4CC[C@H]3[C@H](NC(=O)[C@@H](C)C#N)C4)sc2c1 ZINC001110396004 1006220144 /nfs/dbraw/zinc/22/01/44/1006220144.db2.gz IXYQWFYEQZMGBK-OJDYBEQGSA-N 1 2 370.478 2.686 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3csc(C)n3)C[C@H]21)OCC ZINC001188107231 1006415685 /nfs/dbraw/zinc/41/56/85/1006415685.db2.gz LKFBBYPMUQYXKA-CGTJXYLNSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]21)OCC ZINC001188107231 1006415690 /nfs/dbraw/zinc/41/56/90/1006415690.db2.gz LKFBBYPMUQYXKA-CGTJXYLNSA-N 1 2 363.527 2.856 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CN3CC[C@@H](C4CCCCC4)C3=O)C2)nc1 ZINC000853514237 1006423295 /nfs/dbraw/zinc/42/32/95/1006423295.db2.gz GVQLJWWFTDLCGG-OALUTQOASA-N 1 2 368.481 2.793 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CN3CC[C@@H](C4CCCCC4)C3=O)C2)nc1 ZINC000853514237 1006423304 /nfs/dbraw/zinc/42/33/04/1006423304.db2.gz GVQLJWWFTDLCGG-OALUTQOASA-N 1 2 368.481 2.793 20 30 FFEDLO CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1nnn(-c2cccc(Cl)c2)c1C ZINC000814886128 1006459327 /nfs/dbraw/zinc/45/93/27/1006459327.db2.gz SGOGJNCXTRURAI-HZPDHXFCSA-N 1 2 371.876 2.813 20 30 FFEDLO CO[C@@H](CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1)[C@H]1CCOC1 ZINC000853658612 1006496156 /nfs/dbraw/zinc/49/61/56/1006496156.db2.gz NNFMFFFRVKNWIT-ICSRJNTNSA-N 1 2 370.449 2.954 20 30 FFEDLO C=C(C)C1OCCC1C(=O)NCC[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC001135147854 1006742402 /nfs/dbraw/zinc/74/24/02/1006742402.db2.gz QLXNQFZVVPUSGK-LPHOPBHVSA-N 1 2 371.506 2.997 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3nnc(-c4ccco4)o3)C[C@H]21 ZINC001188883923 1006764295 /nfs/dbraw/zinc/76/42/95/1006764295.db2.gz BLRHIRUOUAWVPD-HRCADAONSA-N 1 2 370.453 2.965 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(-c4ccco4)o3)C[C@H]21 ZINC001188883923 1006764309 /nfs/dbraw/zinc/76/43/09/1006764309.db2.gz BLRHIRUOUAWVPD-HRCADAONSA-N 1 2 370.453 2.965 20 30 FFEDLO C=C(C)C[C@@H](CO)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000883545025 1006853257 /nfs/dbraw/zinc/85/32/57/1006853257.db2.gz HJFUDTUHOVNXES-HKUYNNGSSA-N 1 2 356.470 2.868 20 30 FFEDLO CC1(C)CC[C@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)OC1 ZINC001135508846 1007001737 /nfs/dbraw/zinc/00/17/37/1007001737.db2.gz CGYWCWBQOXJOOS-LJQANCHMSA-N 1 2 355.482 2.798 20 30 FFEDLO NC(=[NH+]O[C@@H]1CCN(C2CC2)C1=O)c1ccc(OCc2ccccc2)cc1 ZINC001116199652 1032187004 /nfs/dbraw/zinc/18/70/04/1032187004.db2.gz LZCNIXTUHBCMIO-LJQANCHMSA-N 1 2 365.433 2.666 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000884085898 1007226057 /nfs/dbraw/zinc/22/60/57/1007226057.db2.gz GYPCRTLHIFOBPR-WBMJQRKESA-N 1 2 373.478 2.742 20 30 FFEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3noc(CCC)n3)C2)cc1 ZINC001086774144 1007342749 /nfs/dbraw/zinc/34/27/49/1007342749.db2.gz XMXJFHYITJQIBA-FUHWJXTLSA-N 1 2 366.465 2.692 20 30 FFEDLO N#CCOc1cc(F)ccc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000135286426 1007500759 /nfs/dbraw/zinc/50/07/59/1007500759.db2.gz JGOBNYBSNAKPFT-OAHLLOKOSA-N 1 2 356.357 2.808 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC000819430221 1008147681 /nfs/dbraw/zinc/14/76/81/1008147681.db2.gz ACPRRUYJPAMFGX-KRWDZBQOSA-N 1 2 374.485 2.602 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC000819430221 1008147689 /nfs/dbraw/zinc/14/76/89/1008147689.db2.gz ACPRRUYJPAMFGX-KRWDZBQOSA-N 1 2 374.485 2.602 20 30 FFEDLO C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1OC ZINC000857964866 1008264175 /nfs/dbraw/zinc/26/41/75/1008264175.db2.gz APEWOGJTAACNQD-BIENSFFJSA-N 1 2 353.422 2.601 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2F)C[C@H]1C ZINC001206485305 1032307904 /nfs/dbraw/zinc/30/79/04/1032307904.db2.gz HNTCCYWAECJWHV-JKIFEVAISA-N 1 2 352.425 2.883 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(F)c2F)C[C@H]1C ZINC001206485305 1032307911 /nfs/dbraw/zinc/30/79/11/1032307911.db2.gz HNTCCYWAECJWHV-JKIFEVAISA-N 1 2 352.425 2.883 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3ccc(OC)cc3)o2)C[C@H]1C ZINC001206503075 1032318123 /nfs/dbraw/zinc/31/81/23/1032318123.db2.gz SWSIJBVOPDJDLL-RHSMWYFYSA-N 1 2 370.453 2.648 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(OC)cc3)o2)C[C@H]1C ZINC001206503075 1032318138 /nfs/dbraw/zinc/31/81/38/1032318138.db2.gz SWSIJBVOPDJDLL-RHSMWYFYSA-N 1 2 370.453 2.648 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)CCC3)C[C@H]1C ZINC001206509508 1032319188 /nfs/dbraw/zinc/31/91/88/1032319188.db2.gz NBGBKVOBPBLPAS-DNVCBOLYSA-N 1 2 355.482 2.517 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)CCC3)C[C@H]1C ZINC001206509508 1032319194 /nfs/dbraw/zinc/31/91/94/1032319194.db2.gz NBGBKVOBPBLPAS-DNVCBOLYSA-N 1 2 355.482 2.517 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C)cc3)o2)C[C@H]1C ZINC001206508947 1032319824 /nfs/dbraw/zinc/31/98/24/1032319824.db2.gz APNRAZNSWDBOHA-NVXWUHKLSA-N 1 2 354.454 2.948 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C)cc3)o2)C[C@H]1C ZINC001206508947 1032319830 /nfs/dbraw/zinc/31/98/30/1032319830.db2.gz APNRAZNSWDBOHA-NVXWUHKLSA-N 1 2 354.454 2.948 20 30 FFEDLO C#CC[C@@H](COC)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000859030768 1008467739 /nfs/dbraw/zinc/46/77/39/1008467739.db2.gz AAPTWMGUHLEJAE-PKOBYXMFSA-N 1 2 354.454 2.579 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3cccc(OC)c3)o2)C[C@H]1C ZINC001206544213 1032335444 /nfs/dbraw/zinc/33/54/44/1032335444.db2.gz HIAQQTLRNSPJNO-RHSMWYFYSA-N 1 2 370.453 2.648 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(OC)c3)o2)C[C@H]1C ZINC001206544213 1032335448 /nfs/dbraw/zinc/33/54/48/1032335448.db2.gz HIAQQTLRNSPJNO-RHSMWYFYSA-N 1 2 370.453 2.648 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000859885706 1008708430 /nfs/dbraw/zinc/70/84/30/1008708430.db2.gz LWNAZSQENPBANC-RCNAKXPWSA-N 1 2 372.534 2.852 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000859885706 1008708443 /nfs/dbraw/zinc/70/84/43/1008708443.db2.gz LWNAZSQENPBANC-RCNAKXPWSA-N 1 2 372.534 2.852 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC([C@@H](O)c3cccc(OC)c3)CC2)nn1 ZINC000860133317 1008850369 /nfs/dbraw/zinc/85/03/69/1008850369.db2.gz PGCQQODTJPETKY-HXUWFJFHSA-N 1 2 356.470 2.808 20 30 FFEDLO Cc1ccn(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001095356814 1008919991 /nfs/dbraw/zinc/91/99/91/1008919991.db2.gz ZMWXTVPBDQKXQH-NEWSRXKRSA-N 1 2 366.440 2.880 20 30 FFEDLO Cc1ccn(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001095356814 1008920001 /nfs/dbraw/zinc/92/00/01/1008920001.db2.gz ZMWXTVPBDQKXQH-NEWSRXKRSA-N 1 2 366.440 2.880 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000860608344 1009080982 /nfs/dbraw/zinc/08/09/82/1009080982.db2.gz AGXVCYOSBIKZSS-FUHWJXTLSA-N 1 2 359.470 2.630 20 30 FFEDLO COc1cc(C#N)c(F)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001178994310 1009218024 /nfs/dbraw/zinc/21/80/24/1009218024.db2.gz WQTDESSCONAHJH-IBGZPJMESA-N 1 2 369.396 2.545 20 30 FFEDLO COc1cc(C#N)c(F)cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001178994310 1009218037 /nfs/dbraw/zinc/21/80/37/1009218037.db2.gz WQTDESSCONAHJH-IBGZPJMESA-N 1 2 369.396 2.545 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001092894858 1009360617 /nfs/dbraw/zinc/36/06/17/1009360617.db2.gz XOLQLTJWPWUCDS-WKRCXCSHSA-N 1 2 372.513 2.802 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001092955295 1009431522 /nfs/dbraw/zinc/43/15/22/1009431522.db2.gz TXRSPAISXRDQND-ZACQAIPSSA-N 1 2 358.486 2.556 20 30 FFEDLO CC#CCCCCCCCC(=O)N1CC2(CC[N@@H+]2CCn2ccnc2)C1 ZINC001274165134 1009535589 /nfs/dbraw/zinc/53/55/89/1009535589.db2.gz YRNPODIVGPNDNY-UHFFFAOYSA-N 1 2 356.514 2.924 20 30 FFEDLO CC#CCCCCCCCC(=O)N1CC2(CC[N@H+]2CCn2ccnc2)C1 ZINC001274165134 1009535600 /nfs/dbraw/zinc/53/56/00/1009535600.db2.gz YRNPODIVGPNDNY-UHFFFAOYSA-N 1 2 356.514 2.924 20 30 FFEDLO CC(C)C[C@@H](C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)n1cc[nH+]c1 ZINC000887739261 1009550874 /nfs/dbraw/zinc/55/08/74/1009550874.db2.gz PZMVHQLVYPBGKF-OALUTQOASA-N 1 2 352.438 2.942 20 30 FFEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccc(C#N)cn3)CC2)cc1 ZINC000889226836 1009873944 /nfs/dbraw/zinc/87/39/44/1009873944.db2.gz QFGXHBLTWVHHFL-UHFFFAOYSA-N 1 2 364.453 2.810 20 30 FFEDLO N#Cc1ccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)nc1 ZINC000889234571 1009880551 /nfs/dbraw/zinc/88/05/51/1009880551.db2.gz OQRLIECWXUDMQA-UHFFFAOYSA-N 1 2 350.426 2.898 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)[C@]2(CC)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001180882887 1009889276 /nfs/dbraw/zinc/88/92/76/1009889276.db2.gz SSZOJHAWIOEUJP-HXUWFJFHSA-N 1 2 365.518 2.744 20 30 FFEDLO Cc1c(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cnn1CCC#N ZINC000889275656 1009903911 /nfs/dbraw/zinc/90/39/11/1009903911.db2.gz TZXQLIUPSVMURG-GOSISDBHSA-N 1 2 362.437 2.553 20 30 FFEDLO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+]([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000773913149 1010076676 /nfs/dbraw/zinc/07/66/76/1010076676.db2.gz JXEOKSRUXDADCC-PXNSSMCTSA-N 1 2 358.438 2.684 20 30 FFEDLO CCOC(=O)[C@@]1(C(C)C)CC[N@H+]([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000773913149 1010076691 /nfs/dbraw/zinc/07/66/91/1010076691.db2.gz JXEOKSRUXDADCC-PXNSSMCTSA-N 1 2 358.438 2.684 20 30 FFEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(OC)c3)CC2)C1 ZINC001093581329 1010347832 /nfs/dbraw/zinc/34/78/32/1010347832.db2.gz GNMVUEDQZYGNFS-LEWJYISDSA-N 1 2 370.493 2.677 20 30 FFEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171418879 1010378371 /nfs/dbraw/zinc/37/83/71/1010378371.db2.gz NJHIDRHVHPMPMP-XLIONFOSSA-N 1 2 352.409 2.929 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000794582862 1010379467 /nfs/dbraw/zinc/37/94/67/1010379467.db2.gz GKQSPYBXXVNADH-YOEHRIQHSA-N 1 2 358.405 2.784 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000794582862 1010379480 /nfs/dbraw/zinc/37/94/80/1010379480.db2.gz GKQSPYBXXVNADH-YOEHRIQHSA-N 1 2 358.405 2.784 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001206885171 1032479716 /nfs/dbraw/zinc/47/97/16/1032479716.db2.gz YJSUQZVAPKNSMH-IEBWSBKVSA-N 1 2 355.482 2.564 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001206885171 1032479718 /nfs/dbraw/zinc/47/97/18/1032479718.db2.gz YJSUQZVAPKNSMH-IEBWSBKVSA-N 1 2 355.482 2.564 20 30 FFEDLO C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cccc(C#N)c1O ZINC000866339745 1010980388 /nfs/dbraw/zinc/98/03/88/1010980388.db2.gz NIAOUWLSMQISKT-CQSZACIVSA-N 1 2 371.462 2.655 20 30 FFEDLO C[C@@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1cccc(C#N)c1O ZINC000866575744 1011018684 /nfs/dbraw/zinc/01/86/84/1011018684.db2.gz CVKFIMASYPJTAG-CQSZACIVSA-N 1 2 350.422 2.640 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2coc(C#N)c2)[C@@H](C)C1 ZINC000868058205 1011156037 /nfs/dbraw/zinc/15/60/37/1011156037.db2.gz LUWCKIKDTXGJPH-HNNXBMFYSA-N 1 2 353.422 2.896 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2coc(C#N)c2)[C@@H](C)C1 ZINC000868058205 1011156043 /nfs/dbraw/zinc/15/60/43/1011156043.db2.gz LUWCKIKDTXGJPH-HNNXBMFYSA-N 1 2 353.422 2.896 20 30 FFEDLO COc1cc(C)[nH+]c(CNc2ccc(N3CCC(O)CC3)c(C#N)c2)c1 ZINC000777430080 1011281821 /nfs/dbraw/zinc/28/18/21/1011281821.db2.gz MJYAWWDYOAVZBV-UHFFFAOYSA-N 1 2 352.438 2.844 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1)C1CCC1 ZINC001110868885 1011283322 /nfs/dbraw/zinc/28/33/22/1011283322.db2.gz UTUVUZMWBIMVCQ-LMCOJAPRSA-N 1 2 371.456 2.734 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1)C1CCC1 ZINC001110868885 1011283340 /nfs/dbraw/zinc/28/33/40/1011283340.db2.gz UTUVUZMWBIMVCQ-LMCOJAPRSA-N 1 2 371.456 2.734 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171548220 1011377870 /nfs/dbraw/zinc/37/78/70/1011377870.db2.gz WOOMUWFBDQZEBE-GFCCVEGCSA-N 1 2 352.356 2.740 20 30 FFEDLO N#CCCCN1C[C@@]2(CC[N@@H+](Cc3c(F)cccc3Cl)C2)OCC1=O ZINC001275206065 1012082610 /nfs/dbraw/zinc/08/26/10/1012082610.db2.gz BXWKODJQUMDYAY-SFHVURJKSA-N 1 2 365.836 2.586 20 30 FFEDLO N#CCCCN1C[C@@]2(CC[N@H+](Cc3c(F)cccc3Cl)C2)OCC1=O ZINC001275206065 1012082615 /nfs/dbraw/zinc/08/26/15/1012082615.db2.gz BXWKODJQUMDYAY-SFHVURJKSA-N 1 2 365.836 2.586 20 30 FFEDLO CCOCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C#N)ccc2Cl)C1=O ZINC001275233812 1012119442 /nfs/dbraw/zinc/11/94/42/1012119442.db2.gz FGCYTVAYHBCZHB-IBGZPJMESA-N 1 2 361.873 2.815 20 30 FFEDLO CCOCCN1CC[C@@]2(CCC[N@H+]2Cc2cc(C#N)ccc2Cl)C1=O ZINC001275233812 1012119450 /nfs/dbraw/zinc/11/94/50/1012119450.db2.gz FGCYTVAYHBCZHB-IBGZPJMESA-N 1 2 361.873 2.815 20 30 FFEDLO CC(=O)[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(C#N)ccc1Cl)CC2 ZINC001275234514 1012121568 /nfs/dbraw/zinc/12/15/68/1012121568.db2.gz PANWKHYICJWUFS-DYVFJYSZSA-N 1 2 373.884 2.907 20 30 FFEDLO CCCC[N@H+](CC(=O)OCC)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988977 1012156238 /nfs/dbraw/zinc/15/62/38/1012156238.db2.gz DYBQWBQGIBXFFC-CVEARBPZSA-N 1 2 367.490 2.943 20 30 FFEDLO CCCC[N@@H+](CC(=O)OCC)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988977 1012156251 /nfs/dbraw/zinc/15/62/51/1012156251.db2.gz DYBQWBQGIBXFFC-CVEARBPZSA-N 1 2 367.490 2.943 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@@H+]2[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)n1 ZINC001172988237 1012157031 /nfs/dbraw/zinc/15/70/31/1012157031.db2.gz ACHTYJOBVXWVAD-KKUMJFAQSA-N 1 2 361.446 2.807 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@H+]2[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)n1 ZINC001172988237 1012157035 /nfs/dbraw/zinc/15/70/35/1012157035.db2.gz ACHTYJOBVXWVAD-KKUMJFAQSA-N 1 2 361.446 2.807 20 30 FFEDLO COc1cccc([C@H]2CN(C(=O)[C@H](C)Oc3ccc(C#N)cc3)CC[NH2+]2)c1 ZINC000870146990 1012199819 /nfs/dbraw/zinc/19/98/19/1012199819.db2.gz IECFGUSINXGIBO-MGPUTAFESA-N 1 2 365.433 2.507 20 30 FFEDLO COc1cccc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CC[NH2+]2)c1 ZINC000870154857 1012216615 /nfs/dbraw/zinc/21/66/15/1012216615.db2.gz QAWPOYGGEJFQRK-HBMCJLEFSA-N 1 2 361.445 2.843 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)ccn1 ZINC001275289735 1012219098 /nfs/dbraw/zinc/21/90/98/1012219098.db2.gz VOBBNLBWWAKITL-HZPDHXFCSA-N 1 2 364.287 2.986 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)ccn1 ZINC001275289735 1012219109 /nfs/dbraw/zinc/21/91/09/1012219109.db2.gz VOBBNLBWWAKITL-HZPDHXFCSA-N 1 2 364.287 2.986 20 30 FFEDLO C=CCCCCCCCC[N@@H+]1C[C@]2(F)CN(C3COC3)C(=O)[C@]2(F)C1 ZINC001275342067 1012329632 /nfs/dbraw/zinc/32/96/32/1012329632.db2.gz TXNXTMGXZIVJBD-RBUKOAKNSA-N 1 2 356.457 2.876 20 30 FFEDLO C=CCCCCCCCC[N@H+]1C[C@]2(F)CN(C3COC3)C(=O)[C@]2(F)C1 ZINC001275342067 1012329646 /nfs/dbraw/zinc/32/96/46/1012329646.db2.gz TXNXTMGXZIVJBD-RBUKOAKNSA-N 1 2 356.457 2.876 20 30 FFEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173225424 1012357805 /nfs/dbraw/zinc/35/78/05/1012357805.db2.gz JXHRYGHEVFFGSE-AUUYWEPGSA-N 1 2 367.405 2.771 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cnccc1C(F)(F)F ZINC001275356433 1012358950 /nfs/dbraw/zinc/35/89/50/1012358950.db2.gz HRBPHRZLBCMQMG-KRWDZBQOSA-N 1 2 351.372 2.691 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cnccc1C(F)(F)F ZINC001275356433 1012358954 /nfs/dbraw/zinc/35/89/54/1012358954.db2.gz HRBPHRZLBCMQMG-KRWDZBQOSA-N 1 2 351.372 2.691 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1nc3ccccc3s1)C2 ZINC001275485855 1012525211 /nfs/dbraw/zinc/52/52/11/1012525211.db2.gz BPEFYRGUHSHXAT-IBGZPJMESA-N 1 2 357.479 2.533 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1nc3ccccc3s1)C2 ZINC001275485855 1012525220 /nfs/dbraw/zinc/52/52/20/1012525220.db2.gz BPEFYRGUHSHXAT-IBGZPJMESA-N 1 2 357.479 2.533 20 30 FFEDLO CCCc1cc(C(=O)N2C[C@H]3CC[N@H+](CC#CCOC)C[C@H]32)sc1C ZINC001222002136 1032641077 /nfs/dbraw/zinc/64/10/77/1032641077.db2.gz RJTQXTHAFYVLOS-QZTJIDSGSA-N 1 2 360.523 2.805 20 30 FFEDLO CCCc1cc(C(=O)N2C[C@H]3CC[N@@H+](CC#CCOC)C[C@H]32)sc1C ZINC001222002136 1032641085 /nfs/dbraw/zinc/64/10/85/1032641085.db2.gz RJTQXTHAFYVLOS-QZTJIDSGSA-N 1 2 360.523 2.805 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccc(OCCCC)cc1)C2 ZINC001275595196 1012663963 /nfs/dbraw/zinc/66/39/63/1012663963.db2.gz GBGZSRUUVZDWFR-UHFFFAOYSA-N 1 2 358.482 2.855 20 30 FFEDLO COC(=O)[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C(C)(C)NC(=O)OC(C)(C)C ZINC001173587116 1012760817 /nfs/dbraw/zinc/76/08/17/1012760817.db2.gz MGSZTAJLSALHMJ-SHYRYGCCSA-N 1 2 367.490 2.893 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(C)cnc1Cl)C2 ZINC001275661136 1012786825 /nfs/dbraw/zinc/78/68/25/1012786825.db2.gz ILYFWCWVWFCIPO-IBGZPJMESA-N 1 2 363.889 2.670 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(C)cnc1Cl)C2 ZINC001275661136 1012786837 /nfs/dbraw/zinc/78/68/37/1012786837.db2.gz ILYFWCWVWFCIPO-IBGZPJMESA-N 1 2 363.889 2.670 20 30 FFEDLO Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)c1 ZINC001095265619 1013016656 /nfs/dbraw/zinc/01/66/56/1013016656.db2.gz IMTXCHSSZZPASX-HOJAQTOUSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)c1 ZINC001095265619 1013016662 /nfs/dbraw/zinc/01/66/62/1013016662.db2.gz IMTXCHSSZZPASX-HOJAQTOUSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)o1 ZINC001095266861 1013023208 /nfs/dbraw/zinc/02/32/08/1013023208.db2.gz KAWVMMIBELFKDK-KCXAZCMYSA-N 1 2 356.451 2.760 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)o1 ZINC001095266861 1013023222 /nfs/dbraw/zinc/02/32/22/1013023222.db2.gz KAWVMMIBELFKDK-KCXAZCMYSA-N 1 2 356.451 2.760 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)n1)c1ccccc1 ZINC001111443831 1017139705 /nfs/dbraw/zinc/13/97/05/1017139705.db2.gz XZSYDSFQMGICRF-WTGUMLROSA-N 1 2 350.466 2.611 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(C)n1)c1ccccc1 ZINC001111443831 1017139711 /nfs/dbraw/zinc/13/97/11/1017139711.db2.gz XZSYDSFQMGICRF-WTGUMLROSA-N 1 2 350.466 2.611 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001055234397 1017189313 /nfs/dbraw/zinc/18/93/13/1017189313.db2.gz UXRRCCPZKJZLSH-SQNIBIBYSA-N 1 2 365.481 2.929 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)c1ccco1 ZINC001110892377 1017258508 /nfs/dbraw/zinc/25/85/08/1017258508.db2.gz WYWMEJDBMFXLSK-HZMVEIRTSA-N 1 2 373.497 2.781 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)c1ccco1 ZINC001110892377 1017258521 /nfs/dbraw/zinc/25/85/21/1017258521.db2.gz WYWMEJDBMFXLSK-HZMVEIRTSA-N 1 2 373.497 2.781 20 30 FFEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@]3(C)c3ccccc3)C2)CC1 ZINC001052053311 1017316446 /nfs/dbraw/zinc/31/64/46/1017316446.db2.gz JOTNCBXOHJWEKH-QNWVGRARSA-N 1 2 367.537 2.759 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001052080754 1017318898 /nfs/dbraw/zinc/31/88/98/1017318898.db2.gz QRFZHPMITURAAS-BACDZXNISA-N 1 2 358.486 2.806 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001057760014 1017406119 /nfs/dbraw/zinc/40/61/19/1017406119.db2.gz FGPPJPBBBBYLQF-BBWFWOEESA-N 1 2 358.486 2.902 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(OC)ns2)cc1 ZINC001097626464 1017724231 /nfs/dbraw/zinc/72/42/31/1017724231.db2.gz HIKNIVOBZVNBPM-NXHRZFHOSA-N 1 2 367.474 2.668 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(OC)ns2)cc1 ZINC001097626464 1017724244 /nfs/dbraw/zinc/72/42/44/1017724244.db2.gz HIKNIVOBZVNBPM-NXHRZFHOSA-N 1 2 367.474 2.668 20 30 FFEDLO COc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001097778061 1017918437 /nfs/dbraw/zinc/91/84/37/1017918437.db2.gz PGKKCHHUIPCYRI-JLZZUVOBSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001097778061 1017918450 /nfs/dbraw/zinc/91/84/50/1017918450.db2.gz PGKKCHHUIPCYRI-JLZZUVOBSA-N 1 2 368.462 2.559 20 30 FFEDLO Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)ccn1C ZINC001097801732 1017948063 /nfs/dbraw/zinc/94/80/63/1017948063.db2.gz HFGFAPVXFZCWRR-AHRSYUTCSA-N 1 2 366.440 2.880 20 30 FFEDLO Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)ccn1C ZINC001097801732 1017948072 /nfs/dbraw/zinc/94/80/72/1017948072.db2.gz HFGFAPVXFZCWRR-AHRSYUTCSA-N 1 2 366.440 2.880 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](Nc3cccc(F)n3)C2)C1 ZINC001052750366 1018082776 /nfs/dbraw/zinc/08/27/76/1018082776.db2.gz NRWTYCFAUUBANL-HUUCEWRRSA-N 1 2 369.444 2.717 20 30 FFEDLO C[C@@H]1C[NH+](C2CN(Cc3ccc(C#N)cc3Br)C2)C[C@@H](C)O1 ZINC001137639672 1032742106 /nfs/dbraw/zinc/74/21/06/1032742106.db2.gz GEIRCIRTBFXOPH-CHWSQXEVSA-N 1 2 364.287 2.614 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000927078046 1018350446 /nfs/dbraw/zinc/35/04/46/1018350446.db2.gz RDRHRLYQTRAUPL-GOSISDBHSA-N 1 2 359.433 2.739 20 30 FFEDLO C[C@H](CC(=O)N1C[C@@H](C)[C@H](CCNc2ccc(C#N)nc2)C1)n1cc[nH+]c1 ZINC001053533734 1018354116 /nfs/dbraw/zinc/35/41/16/1018354116.db2.gz LISYEGWEORVNTE-BRWVUGGUSA-N 1 2 366.469 2.698 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047388220 1019194225 /nfs/dbraw/zinc/19/42/25/1019194225.db2.gz LIZJZNDVYIHTTB-YRPNKDGESA-N 1 2 369.509 2.634 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047388220 1019194229 /nfs/dbraw/zinc/19/42/29/1019194229.db2.gz LIZJZNDVYIHTTB-YRPNKDGESA-N 1 2 369.509 2.634 20 30 FFEDLO CCC(=CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21)CC ZINC001217643739 1032819065 /nfs/dbraw/zinc/81/90/65/1032819065.db2.gz OZGKREKQWARXIV-VQTJNVASSA-N 1 2 371.456 2.855 20 30 FFEDLO CCC(=CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21)CC ZINC001217643739 1032819086 /nfs/dbraw/zinc/81/90/86/1032819086.db2.gz OZGKREKQWARXIV-VQTJNVASSA-N 1 2 371.456 2.855 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)c1ncccn1 ZINC001098082473 1019359587 /nfs/dbraw/zinc/35/95/87/1019359587.db2.gz VGODADBYONJXMC-KURKYZTESA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)c1ncccn1 ZINC001098082473 1019359605 /nfs/dbraw/zinc/35/96/05/1019359605.db2.gz VGODADBYONJXMC-KURKYZTESA-N 1 2 366.852 2.517 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccc(C)cc1 ZINC001110967017 1019385189 /nfs/dbraw/zinc/38/51/89/1019385189.db2.gz OHSUDTPSKAJHPM-AQNXPRMDSA-N 1 2 369.509 2.689 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccc(C)cc1 ZINC001110967017 1019385207 /nfs/dbraw/zinc/38/52/07/1019385207.db2.gz OHSUDTPSKAJHPM-AQNXPRMDSA-N 1 2 369.509 2.689 20 30 FFEDLO Cc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001095944014 1019399200 /nfs/dbraw/zinc/39/92/00/1019399200.db2.gz WHWZQKXDMRNREX-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001095944014 1019399214 /nfs/dbraw/zinc/39/92/14/1019399214.db2.gz WHWZQKXDMRNREX-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC)CC1 ZINC000801869715 1019464156 /nfs/dbraw/zinc/46/41/56/1019464156.db2.gz IBNDJVCZIZVEKK-OAHLLOKOSA-N 1 2 373.888 2.847 20 30 FFEDLO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)c1 ZINC001043510083 1019474499 /nfs/dbraw/zinc/47/44/99/1019474499.db2.gz BNDNSQCFANGMPZ-FZKQIMNGSA-N 1 2 361.449 2.611 20 30 FFEDLO CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1Nc1cccc(F)c1C#N ZINC001069628076 1019529069 /nfs/dbraw/zinc/52/90/69/1019529069.db2.gz WINYNQRIUFGRKF-SNUQEOBHSA-N 1 2 367.428 2.873 20 30 FFEDLO CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1Nc1cccc(F)c1C#N ZINC001069628076 1019529077 /nfs/dbraw/zinc/52/90/77/1019529077.db2.gz WINYNQRIUFGRKF-SNUQEOBHSA-N 1 2 367.428 2.873 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC)CC1 ZINC000801950021 1019534585 /nfs/dbraw/zinc/53/45/85/1019534585.db2.gz FZVDXEGXEOWPHL-SFHVURJKSA-N 1 2 367.497 2.810 20 30 FFEDLO Cc1cc(C(N)=[NH+]OCC(=O)N[C@H]2CCCc3ccccc32)ccc1F ZINC000148943716 1019578805 /nfs/dbraw/zinc/57/88/05/1019578805.db2.gz DCHJIXSQDSNLOD-SFHVURJKSA-N 1 2 355.413 2.965 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]nc2C2CC2)C3)s1 ZINC001096273487 1019783278 /nfs/dbraw/zinc/78/32/78/1019783278.db2.gz JAERJUFBGAFSSM-DQYPLSBCSA-N 1 2 367.478 2.756 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]nc2C2CC2)C3)s1 ZINC001096273487 1019783295 /nfs/dbraw/zinc/78/32/95/1019783295.db2.gz JAERJUFBGAFSSM-DQYPLSBCSA-N 1 2 367.478 2.756 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)C(C)C)CC1 ZINC001110982099 1019880328 /nfs/dbraw/zinc/88/03/28/1019880328.db2.gz IMILWBOGTBSTQC-AITUJVMLSA-N 1 2 361.530 2.615 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)C(C)C)CC1 ZINC001110982099 1019880344 /nfs/dbraw/zinc/88/03/44/1019880344.db2.gz IMILWBOGTBSTQC-AITUJVMLSA-N 1 2 361.530 2.615 20 30 FFEDLO C=CC[C@@]1(C(=O)O[C@@H]2CC[N@H+](CCF)C2)CCCN1C(=O)OC(C)(C)C ZINC000802236720 1019919127 /nfs/dbraw/zinc/91/91/27/1019919127.db2.gz QLBVGOISCJIFFC-BEFAXECRSA-N 1 2 370.465 2.919 20 30 FFEDLO C=CC[C@@]1(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)CCCN1C(=O)OC(C)(C)C ZINC000802236720 1019919132 /nfs/dbraw/zinc/91/91/32/1019919132.db2.gz QLBVGOISCJIFFC-BEFAXECRSA-N 1 2 370.465 2.919 20 30 FFEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1CNc1nc(C)ccc1C#N ZINC001048212272 1020004231 /nfs/dbraw/zinc/00/42/31/1020004231.db2.gz GTYKQICKAQNEKR-DYVFJYSZSA-N 1 2 366.469 2.575 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2c(C)nnn2CC)CC1 ZINC001110987686 1020013266 /nfs/dbraw/zinc/01/32/66/1020013266.db2.gz ALYLUTJIYWBTAX-ZACQAIPSSA-N 1 2 357.502 2.574 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2c(C)nnn2CC)CC1 ZINC001110987686 1020013275 /nfs/dbraw/zinc/01/32/75/1020013275.db2.gz ALYLUTJIYWBTAX-ZACQAIPSSA-N 1 2 357.502 2.574 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(F)cccc1F ZINC001096034730 1020022959 /nfs/dbraw/zinc/02/29/59/1020022959.db2.gz RQJPCQVOLKYUOU-CZMXQBROSA-N 1 2 362.420 2.777 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(F)cccc1F ZINC001096034730 1020022975 /nfs/dbraw/zinc/02/29/75/1020022975.db2.gz RQJPCQVOLKYUOU-CZMXQBROSA-N 1 2 362.420 2.777 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCC1 ZINC001070926103 1020122242 /nfs/dbraw/zinc/12/22/42/1020122242.db2.gz XDCFZYNSHQSDMM-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCC1 ZINC001070926103 1020122246 /nfs/dbraw/zinc/12/22/46/1020122246.db2.gz XDCFZYNSHQSDMM-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO CCO[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001222313452 1032882841 /nfs/dbraw/zinc/88/28/41/1032882841.db2.gz FZYTVJZPKMYCCU-KHYOSLBOSA-N 1 2 359.445 2.545 20 30 FFEDLO CCO[C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001222313452 1032882855 /nfs/dbraw/zinc/88/28/55/1032882855.db2.gz FZYTVJZPKMYCCU-KHYOSLBOSA-N 1 2 359.445 2.545 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(=C)C)CC1 ZINC000802550237 1020216537 /nfs/dbraw/zinc/21/65/37/1020216537.db2.gz RZOYOAOGBAXERO-UHFFFAOYSA-N 1 2 374.492 2.682 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3ncon3)cc1)C2 ZINC001096374358 1020272407 /nfs/dbraw/zinc/27/24/07/1020272407.db2.gz VTWPVGDLCRTTML-PMPSAXMXSA-N 1 2 358.829 2.824 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3ncon3)cc1)C2 ZINC001096374358 1020272414 /nfs/dbraw/zinc/27/24/14/1020272414.db2.gz VTWPVGDLCRTTML-PMPSAXMXSA-N 1 2 358.829 2.824 20 30 FFEDLO Cc1cnoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001098140379 1020285947 /nfs/dbraw/zinc/28/59/47/1020285947.db2.gz IKISCQICQPQXBZ-OIISXLGYSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1cnoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001098140379 1020285952 /nfs/dbraw/zinc/28/59/52/1020285952.db2.gz IKISCQICQPQXBZ-OIISXLGYSA-N 1 2 354.385 2.529 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001072748241 1020297908 /nfs/dbraw/zinc/29/79/08/1020297908.db2.gz YTCAWXRMLYJUBU-RBBJQHAHSA-N 1 2 359.297 2.821 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C\Cl)C2 ZINC001072748241 1020297918 /nfs/dbraw/zinc/29/79/18/1020297918.db2.gz YTCAWXRMLYJUBU-RBBJQHAHSA-N 1 2 359.297 2.821 20 30 FFEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000931146076 1020345613 /nfs/dbraw/zinc/34/56/13/1020345613.db2.gz SSHRUTKCMKGJFO-UHFFFAOYSA-N 1 2 350.418 2.878 20 30 FFEDLO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1cc(C#N)ccn1 ZINC000902766435 1020462777 /nfs/dbraw/zinc/46/27/77/1020462777.db2.gz KRVSQDVTEZZMBN-AWEZNQCLSA-N 1 2 372.494 2.881 20 30 FFEDLO N#Cc1cccnc1N[C@@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001046171696 1020520701 /nfs/dbraw/zinc/52/07/01/1020520701.db2.gz SKKBTWYIOIBMFT-IAGOWNOFSA-N 1 2 360.421 2.983 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC001073407793 1020575102 /nfs/dbraw/zinc/57/51/02/1020575102.db2.gz SGLNGBKEYNQNLF-INMHGKMJSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC001073407793 1020575108 /nfs/dbraw/zinc/57/51/08/1020575108.db2.gz SGLNGBKEYNQNLF-INMHGKMJSA-N 1 2 358.486 2.613 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3cccc(F)c3o1)C2 ZINC001111430828 1020584759 /nfs/dbraw/zinc/58/47/59/1020584759.db2.gz XSXJESMITYSXIO-OIISXLGYSA-N 1 2 356.397 2.557 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3cccc(F)c3o1)C2 ZINC001111430828 1020584765 /nfs/dbraw/zinc/58/47/65/1020584765.db2.gz XSXJESMITYSXIO-OIISXLGYSA-N 1 2 356.397 2.557 20 30 FFEDLO C[C@@]1(NC(=O)[C@@H]2CCO[C@H]2C2CC2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046504864 1020671101 /nfs/dbraw/zinc/67/11/01/1020671101.db2.gz LRSZOWYJGYWPKS-SVFBPWRDSA-N 1 2 371.456 2.593 20 30 FFEDLO C[C@@]1(NC(=O)[C@@H]2CCO[C@H]2C2CC2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046504864 1020671107 /nfs/dbraw/zinc/67/11/07/1020671107.db2.gz LRSZOWYJGYWPKS-SVFBPWRDSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1c(F)cccc1C[NH+]1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000932054187 1020690762 /nfs/dbraw/zinc/69/07/62/1020690762.db2.gz IETGUMPTDDCKDM-UHFFFAOYSA-N 1 2 365.408 2.854 20 30 FFEDLO CC#CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000801135213 1020782973 /nfs/dbraw/zinc/78/29/73/1020782973.db2.gz YBHLSALIVYRFOG-UHFFFAOYSA-N 1 2 369.446 2.991 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(OC)cc(OC)c1)C2 ZINC001098280273 1020790092 /nfs/dbraw/zinc/79/00/92/1020790092.db2.gz OHRXFGGTQFNVMB-XYPHTWIQSA-N 1 2 350.846 2.791 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(OC)cc(OC)c1)C2 ZINC001098280273 1020790097 /nfs/dbraw/zinc/79/00/97/1020790097.db2.gz OHRXFGGTQFNVMB-XYPHTWIQSA-N 1 2 350.846 2.791 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001098384966 1020861726 /nfs/dbraw/zinc/86/17/26/1020861726.db2.gz VQQLKKFOOLSGTI-QRQLOZEOSA-N 1 2 364.449 2.952 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001098384966 1020861733 /nfs/dbraw/zinc/86/17/33/1020861733.db2.gz VQQLKKFOOLSGTI-QRQLOZEOSA-N 1 2 364.449 2.952 20 30 FFEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cccnc1N1CCOCC1 ZINC000778156523 1020956908 /nfs/dbraw/zinc/95/69/08/1020956908.db2.gz WWDMXSLGLZRELK-UHFFFAOYSA-N 1 2 371.868 2.873 20 30 FFEDLO CCn1c[nH+]c2c1CCN([C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C2 ZINC000933258998 1020985593 /nfs/dbraw/zinc/98/55/93/1020985593.db2.gz KLMLAYWBVWJEPR-OAHLLOKOSA-N 1 2 369.444 2.736 20 30 FFEDLO CCn1c[nH+]c2c1CCN([C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C2 ZINC000933259528 1020985809 /nfs/dbraw/zinc/98/58/09/1020985809.db2.gz PQDOKQJRAQCVBO-LFDOHDQPSA-N 1 2 357.502 2.580 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@H+](C[C@H]3CCC4(CCOCC4)CO3)CCO2)cc1 ZINC000933629418 1021054704 /nfs/dbraw/zinc/05/47/04/1021054704.db2.gz BQNPULMZDLTSPK-WOJBJXKFSA-N 1 2 356.466 2.907 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@@H+](C[C@H]3CCC4(CCOCC4)CO3)CCO2)cc1 ZINC000933629418 1021054709 /nfs/dbraw/zinc/05/47/09/1021054709.db2.gz BQNPULMZDLTSPK-WOJBJXKFSA-N 1 2 356.466 2.907 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000749844792 1021054869 /nfs/dbraw/zinc/05/48/69/1021054869.db2.gz NPPRCIGHKNWNQZ-WMLDXEAASA-N 1 2 372.469 2.826 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000749844792 1021054873 /nfs/dbraw/zinc/05/48/73/1021054873.db2.gz NPPRCIGHKNWNQZ-WMLDXEAASA-N 1 2 372.469 2.826 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@H+](CCc3nc4ccccc4c(=O)[nH]3)CCO2)cc1 ZINC000933630860 1021055476 /nfs/dbraw/zinc/05/54/76/1021055476.db2.gz UMORBKXDPMHILU-LJQANCHMSA-N 1 2 360.417 2.823 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@@H+](CCc3nc4ccccc4c(=O)[nH]3)CCO2)cc1 ZINC000933630860 1021055481 /nfs/dbraw/zinc/05/54/81/1021055481.db2.gz UMORBKXDPMHILU-LJQANCHMSA-N 1 2 360.417 2.823 20 30 FFEDLO O=C(C[NH+]1CCC2(CC1)CC(=O)C=CO2)Nc1ccc(OC(F)F)cc1 ZINC000933649859 1021058419 /nfs/dbraw/zinc/05/84/19/1021058419.db2.gz IQMGPSYTOXCOCN-UHFFFAOYSA-N 1 2 366.364 2.564 20 30 FFEDLO N#Cc1ccc(I)c(O[C@H]2CC[NH2+]CC2(F)F)c1 ZINC001218011647 1032951133 /nfs/dbraw/zinc/95/11/33/1032951133.db2.gz IIYMXIXMQNJTNO-NSHDSACASA-N 1 2 364.133 2.539 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc[nH]2)C1 ZINC001098727239 1021082618 /nfs/dbraw/zinc/08/26/18/1021082618.db2.gz ZTVZHWACSPTFAR-JXFKEZNVSA-N 1 2 352.413 2.810 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc[nH]2)C1 ZINC001098727239 1021082623 /nfs/dbraw/zinc/08/26/23/1021082623.db2.gz ZTVZHWACSPTFAR-JXFKEZNVSA-N 1 2 352.413 2.810 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2O)C1 ZINC001098732042 1021089217 /nfs/dbraw/zinc/08/92/17/1021089217.db2.gz XNVJBYFDWCLOLU-GUYCJALGSA-N 1 2 365.271 2.885 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2O)C1 ZINC001098732042 1021089223 /nfs/dbraw/zinc/08/92/23/1021089223.db2.gz XNVJBYFDWCLOLU-GUYCJALGSA-N 1 2 365.271 2.885 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cncs2)C1 ZINC001098747589 1021105270 /nfs/dbraw/zinc/10/52/70/1021105270.db2.gz FPDMVPLOYIWOIC-LPHOPBHVSA-N 1 2 352.463 2.799 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cncs2)C1 ZINC001098747589 1021105275 /nfs/dbraw/zinc/10/52/75/1021105275.db2.gz FPDMVPLOYIWOIC-LPHOPBHVSA-N 1 2 352.463 2.799 20 30 FFEDLO N#Cc1cc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C3)c[nH]1 ZINC001098800731 1021160477 /nfs/dbraw/zinc/16/04/77/1021160477.db2.gz PGARARCKXTVQQB-MCJUKFELSA-N 1 2 353.253 2.790 20 30 FFEDLO N#Cc1cc(C(=O)N[C@]23CCC[C@H]2C[N@H+](C/C(Cl)=C/Cl)C3)c[nH]1 ZINC001098800731 1021160481 /nfs/dbraw/zinc/16/04/81/1021160481.db2.gz PGARARCKXTVQQB-MCJUKFELSA-N 1 2 353.253 2.790 20 30 FFEDLO COC(=O)CC(C)(C)[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC001116352511 1021175933 /nfs/dbraw/zinc/17/59/33/1021175933.db2.gz POELWXQODNDTED-GFCCVEGCSA-N 1 2 359.451 2.746 20 30 FFEDLO COC(=O)CC(C)(C)[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC001116352511 1021175936 /nfs/dbraw/zinc/17/59/36/1021175936.db2.gz POELWXQODNDTED-GFCCVEGCSA-N 1 2 359.451 2.746 20 30 FFEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)C2(C#N)CCCCC2)nc1 ZINC000934346692 1021206441 /nfs/dbraw/zinc/20/64/41/1021206441.db2.gz LOJODHASGMOWLJ-SFHVURJKSA-N 1 2 356.470 2.912 20 30 FFEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(C)C2(C#N)CCCCC2)nc1 ZINC000934346692 1021206449 /nfs/dbraw/zinc/20/64/49/1021206449.db2.gz LOJODHASGMOWLJ-SFHVURJKSA-N 1 2 356.470 2.912 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cscn1)C2 ZINC001098842321 1021224750 /nfs/dbraw/zinc/22/47/50/1021224750.db2.gz YRJNUKDYCKUVBT-RUENVJTFSA-N 1 2 361.511 2.595 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cscn1)C2 ZINC001098842321 1021224755 /nfs/dbraw/zinc/22/47/55/1021224755.db2.gz YRJNUKDYCKUVBT-RUENVJTFSA-N 1 2 361.511 2.595 20 30 FFEDLO C=C(C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCc3c(F)cccc3F)C[C@@H]21 ZINC001218040509 1032965949 /nfs/dbraw/zinc/96/59/49/1032965949.db2.gz AWFBFQXJZBCRNB-RBUKOAKNSA-N 1 2 364.436 2.775 20 30 FFEDLO C=C(C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCc3c(F)cccc3F)C[C@@H]21 ZINC001218040509 1032965960 /nfs/dbraw/zinc/96/59/60/1032965960.db2.gz AWFBFQXJZBCRNB-RBUKOAKNSA-N 1 2 364.436 2.775 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ncccc2F)C1 ZINC001099094734 1021774611 /nfs/dbraw/zinc/77/46/11/1021774611.db2.gz VTKDIFJHGONJKD-LRDDRELGSA-N 1 2 368.250 2.714 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ncccc2F)C1 ZINC001099094734 1021774625 /nfs/dbraw/zinc/77/46/25/1021774625.db2.gz VTKDIFJHGONJKD-LRDDRELGSA-N 1 2 368.250 2.714 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)c(F)c1 ZINC001014486261 1021860024 /nfs/dbraw/zinc/86/00/24/1021860024.db2.gz PVFRWEPFIYHPPW-IWKCEXAMSA-N 1 2 353.441 2.990 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)c(F)c1 ZINC001014486261 1021860041 /nfs/dbraw/zinc/86/00/41/1021860041.db2.gz PVFRWEPFIYHPPW-IWKCEXAMSA-N 1 2 353.441 2.990 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1F ZINC001038277092 1022649382 /nfs/dbraw/zinc/64/93/82/1022649382.db2.gz RSNLFTBLIIMTJN-IWKCEXAMSA-N 1 2 353.441 2.990 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1F ZINC001038277092 1022649392 /nfs/dbraw/zinc/64/93/92/1022649392.db2.gz RSNLFTBLIIMTJN-IWKCEXAMSA-N 1 2 353.441 2.990 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039790553 1022779201 /nfs/dbraw/zinc/77/92/01/1022779201.db2.gz AZOJVFPKBPFOGH-MHTWAQMVSA-N 1 2 367.493 2.939 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039790553 1022779208 /nfs/dbraw/zinc/77/92/08/1022779208.db2.gz AZOJVFPKBPFOGH-MHTWAQMVSA-N 1 2 367.493 2.939 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)C2 ZINC001095789341 1022864578 /nfs/dbraw/zinc/86/45/78/1022864578.db2.gz DXCUVEKQJFWZBL-MJCUULBUSA-N 1 2 365.477 2.595 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)C2 ZINC001095789341 1022864593 /nfs/dbraw/zinc/86/45/93/1022864593.db2.gz DXCUVEKQJFWZBL-MJCUULBUSA-N 1 2 365.477 2.595 20 30 FFEDLO CC(C)(C)C#CC(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3C(C)(C)C)[C@H]2C1 ZINC001222656649 1033095660 /nfs/dbraw/zinc/09/56/60/1033095660.db2.gz OPKPPLONFJMZMJ-SJORKVTESA-N 1 2 371.529 2.505 20 30 FFEDLO CC(C)(C)C#CC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3C(C)(C)C)[C@H]2C1 ZINC001222656649 1033095670 /nfs/dbraw/zinc/09/56/70/1033095670.db2.gz OPKPPLONFJMZMJ-SJORKVTESA-N 1 2 371.529 2.505 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)C#CC(C)(C)C)C[C@@H]21 ZINC001222656867 1033095990 /nfs/dbraw/zinc/09/59/90/1033095990.db2.gz YNFKCMOUIRLBJY-CABCVRRESA-N 1 2 353.304 2.867 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)C#CC(C)(C)C)C[C@@H]21 ZINC001222656867 1033095999 /nfs/dbraw/zinc/09/59/99/1033095999.db2.gz YNFKCMOUIRLBJY-CABCVRRESA-N 1 2 353.304 2.867 20 30 FFEDLO C=C(C)Cn1c(N2Cc3ccccc3[C@H]2C)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001122396030 1023242066 /nfs/dbraw/zinc/24/20/66/1023242066.db2.gz VLHJSEDORDSWSP-QLVMHMETSA-N 1 2 367.497 2.847 20 30 FFEDLO C=C(C)Cn1c(N2Cc3ccccc3[C@H]2C)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001122396030 1023242071 /nfs/dbraw/zinc/24/20/71/1023242071.db2.gz VLHJSEDORDSWSP-QLVMHMETSA-N 1 2 367.497 2.847 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCO[C@@H](CC(F)(F)F)C1 ZINC001122442237 1023271643 /nfs/dbraw/zinc/27/16/43/1023271643.db2.gz ZZDYQWNHYBRERT-KBPBESRZSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCO[C@@H](CC(F)(F)F)C1 ZINC001122442237 1023271648 /nfs/dbraw/zinc/27/16/48/1023271648.db2.gz ZZDYQWNHYBRERT-KBPBESRZSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c(N2CCCC(C)(C)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001122482672 1023296770 /nfs/dbraw/zinc/29/67/70/1023296770.db2.gz OJFMARXFUXSTKW-OXQOHEQNSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCCC(C)(C)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001122482672 1023296777 /nfs/dbraw/zinc/29/67/77/1023296777.db2.gz OJFMARXFUXSTKW-OXQOHEQNSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC(C(F)(F)F)CC1 ZINC001122490910 1023301589 /nfs/dbraw/zinc/30/15/89/1023301589.db2.gz YFNFGMJPFUCWNJ-UHFFFAOYSA-N 1 2 368.407 2.957 20 30 FFEDLO CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1cnn(-c2ccc(C#N)cc2)c1C ZINC000753936119 1023402888 /nfs/dbraw/zinc/40/28/88/1023402888.db2.gz QUGQOPHCDOYABQ-KDURUIRLSA-N 1 2 361.453 2.636 20 30 FFEDLO COc1ccc(C2N=NC(=S)N2N=C2C[C@@H](C)[N@@H+](C3CC3)C2)c(OC)c1 ZINC000753955481 1023405663 /nfs/dbraw/zinc/40/56/63/1023405663.db2.gz MZYZEPXANNDNJF-LLVKDONJSA-N 1 2 373.482 2.712 20 30 FFEDLO COc1ccc(C2N=NC(=S)N2N=C2C[C@@H](C)[N@H+](C3CC3)C2)c(OC)c1 ZINC000753955481 1023405666 /nfs/dbraw/zinc/40/56/66/1023405666.db2.gz MZYZEPXANNDNJF-LLVKDONJSA-N 1 2 373.482 2.712 20 30 FFEDLO C[C@H]1CC(=NN2C(=S)N=NC2[C@H]2COc3ccccc3O2)C[N@@H+]1C1CC1 ZINC000753955451 1023405808 /nfs/dbraw/zinc/40/58/08/1023405808.db2.gz OWVJZHBFBFNMOP-MEDUHNTESA-N 1 2 371.466 2.540 20 30 FFEDLO C[C@H]1CC(=NN2C(=S)N=NC2[C@H]2COc3ccccc3O2)C[N@H+]1C1CC1 ZINC000753955451 1023405811 /nfs/dbraw/zinc/40/58/11/1023405811.db2.gz OWVJZHBFBFNMOP-MEDUHNTESA-N 1 2 371.466 2.540 20 30 FFEDLO COC(=O)c1cccc(CO[NH+]=C(N)Cc2ccc(OC)cc2)c1C#N ZINC000755815403 1023640996 /nfs/dbraw/zinc/64/09/96/1023640996.db2.gz IGDNZEGCHWITCB-UHFFFAOYSA-N 1 2 353.378 2.595 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1C#N ZINC000756543325 1023724833 /nfs/dbraw/zinc/72/48/33/1023724833.db2.gz PYRICDQQTRDNQW-HNNXBMFYSA-N 1 2 373.453 2.786 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1C#N ZINC000756543325 1023724837 /nfs/dbraw/zinc/72/48/37/1023724837.db2.gz PYRICDQQTRDNQW-HNNXBMFYSA-N 1 2 373.453 2.786 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1C#N ZINC000756543326 1023725075 /nfs/dbraw/zinc/72/50/75/1023725075.db2.gz PYRICDQQTRDNQW-OAHLLOKOSA-N 1 2 373.453 2.786 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1C#N ZINC000756543326 1023725080 /nfs/dbraw/zinc/72/50/80/1023725080.db2.gz PYRICDQQTRDNQW-OAHLLOKOSA-N 1 2 373.453 2.786 20 30 FFEDLO CCc1cncc(C(=O)OCC#Cc2csc(C[NH+]3CCOCC3)c2)c1 ZINC001123368888 1023764802 /nfs/dbraw/zinc/76/48/02/1023764802.db2.gz JMBVOUZSPYWCSW-UHFFFAOYSA-N 1 2 370.474 2.746 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc([C@]2(C)C[C@H](O)C[N@H+]2C)n1CC1CC1 ZINC001123514617 1023843205 /nfs/dbraw/zinc/84/32/05/1023843205.db2.gz DVFGRQIAEXWNGD-UWVAXJGDSA-N 1 2 359.518 2.535 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc([C@]2(C)C[C@H](O)C[N@@H+]2C)n1CC1CC1 ZINC001123514617 1023843211 /nfs/dbraw/zinc/84/32/11/1023843211.db2.gz DVFGRQIAEXWNGD-UWVAXJGDSA-N 1 2 359.518 2.535 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2c2ccccc2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121607569 1023878195 /nfs/dbraw/zinc/87/81/95/1023878195.db2.gz OPPIRFXKXHHNSZ-OPYAIIAOSA-N 1 2 367.497 2.717 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2c2ccccc2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121607569 1023878204 /nfs/dbraw/zinc/87/82/04/1023878204.db2.gz OPPIRFXKXHHNSZ-OPYAIIAOSA-N 1 2 367.497 2.717 20 30 FFEDLO C=CCn1c(N(CC)Cc2ccccc2F)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121609216 1023879347 /nfs/dbraw/zinc/87/93/47/1023879347.db2.gz XUMWOYMYHJAWQR-OXQOHEQNSA-N 1 2 373.476 2.541 20 30 FFEDLO C=CCn1c(N(CC)Cc2ccccc2F)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121609216 1023879351 /nfs/dbraw/zinc/87/93/51/1023879351.db2.gz XUMWOYMYHJAWQR-OXQOHEQNSA-N 1 2 373.476 2.541 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001121610540 1023879979 /nfs/dbraw/zinc/87/99/79/1023879979.db2.gz SXMPQWUUVFAIBQ-NXOAAHMSSA-N 1 2 361.534 2.853 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001121610540 1023879987 /nfs/dbraw/zinc/87/99/87/1023879987.db2.gz SXMPQWUUVFAIBQ-NXOAAHMSSA-N 1 2 361.534 2.853 20 30 FFEDLO C=CCn1c(N(C)c2cc(C)cc(C)c2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121709273 1023939270 /nfs/dbraw/zinc/93/92/70/1023939270.db2.gz SECUTDSJVKDUGJ-FXAWDEMLSA-N 1 2 355.486 2.760 20 30 FFEDLO C=CCn1c(N(C)c2cc(C)cc(C)c2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001121709273 1023939277 /nfs/dbraw/zinc/93/92/77/1023939277.db2.gz SECUTDSJVKDUGJ-FXAWDEMLSA-N 1 2 355.486 2.760 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)CCCC4CC4)[C@H]3C2)cc1F ZINC001218497976 1033183321 /nfs/dbraw/zinc/18/33/21/1033183321.db2.gz LQOMFZINXFCHQN-VQTJNVASSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)CCCC4CC4)[C@H]3C2)cc1F ZINC001218497976 1033183326 /nfs/dbraw/zinc/18/33/26/1033183326.db2.gz LQOMFZINXFCHQN-VQTJNVASSA-N 1 2 371.456 2.689 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001101242821 1024167189 /nfs/dbraw/zinc/16/71/89/1024167189.db2.gz JEOJHZAVVOFELJ-SJORKVTESA-N 1 2 358.486 2.586 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)n3C)C[C@@]2(C)C1 ZINC001101252040 1024197668 /nfs/dbraw/zinc/19/76/68/1024197668.db2.gz YFWWQOFJOWCUFQ-IERDGZPVSA-N 1 2 371.529 2.575 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)n3C)C[C@@]2(C)C1 ZINC001101252040 1024197672 /nfs/dbraw/zinc/19/76/72/1024197672.db2.gz YFWWQOFJOWCUFQ-IERDGZPVSA-N 1 2 371.529 2.575 20 30 FFEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001124074261 1024271956 /nfs/dbraw/zinc/27/19/56/1024271956.db2.gz CRJJZDAVXADJCD-UHFFFAOYSA-N 1 2 352.438 2.920 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CCC)c1ccccc1)C2 ZINC001111360583 1024378483 /nfs/dbraw/zinc/37/84/83/1024378483.db2.gz ROBNNMFPBUKJSP-WTGUMLROSA-N 1 2 369.509 2.594 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CCC)c1ccccc1)C2 ZINC001111360583 1024378499 /nfs/dbraw/zinc/37/84/99/1024378499.db2.gz ROBNNMFPBUKJSP-WTGUMLROSA-N 1 2 369.509 2.594 20 30 FFEDLO CN(C)c1[nH+]ccc2cc(NC(=O)NCC#C[C@H]3CCCCO3)ccc21 ZINC001218625222 1033251926 /nfs/dbraw/zinc/25/19/26/1033251926.db2.gz KLBIBYLWUCVFEH-QGZVFWFLSA-N 1 2 352.438 2.995 20 30 FFEDLO N#Cc1c(N)sc(CN2CCc3onc(Cn4cc[nH+]c4)c3C2)c1Cl ZINC001141109203 1025467943 /nfs/dbraw/zinc/46/79/43/1025467943.db2.gz KGJOPROQCQWNIS-UHFFFAOYSA-N 1 2 374.857 2.646 20 30 FFEDLO N#Cc1c(N)sc(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)c1Cl ZINC001141112280 1025471302 /nfs/dbraw/zinc/47/13/02/1025471302.db2.gz XCIRBHVPJIXTHW-UHFFFAOYSA-N 1 2 352.891 2.690 20 30 FFEDLO N#Cc1c(N)sc(C[N@H+]2CCCN(C(=O)C3CCC3)CC2)c1Cl ZINC001141112280 1025471310 /nfs/dbraw/zinc/47/13/10/1025471310.db2.gz XCIRBHVPJIXTHW-UHFFFAOYSA-N 1 2 352.891 2.690 20 30 FFEDLO C#CCCCCCC(=O)NC[C@@H]1C[N@@H+](Cc2nn(C)cc2Cl)C[C@H]1C ZINC001102228977 1025612511 /nfs/dbraw/zinc/61/25/11/1025612511.db2.gz PDRADQUBHBYPTI-HZPDHXFCSA-N 1 2 364.921 2.841 20 30 FFEDLO C#CCCCCCC(=O)NC[C@@H]1C[N@H+](Cc2nn(C)cc2Cl)C[C@H]1C ZINC001102228977 1025612520 /nfs/dbraw/zinc/61/25/20/1025612520.db2.gz PDRADQUBHBYPTI-HZPDHXFCSA-N 1 2 364.921 2.841 20 30 FFEDLO N#CCOc1cccc(CC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000089706869 1025734071 /nfs/dbraw/zinc/73/40/71/1025734071.db2.gz KVHRHIZFMWAENA-UHFFFAOYSA-N 1 2 360.417 2.693 20 30 FFEDLO C=C[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2nncs2)C[C@H]1C)c1ccccc1 ZINC001102591926 1026371616 /nfs/dbraw/zinc/37/16/16/1026371616.db2.gz GBNUQLQZFWLKPO-OIISXLGYSA-N 1 2 356.495 2.692 20 30 FFEDLO C=C[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2nncs2)C[C@H]1C)c1ccccc1 ZINC001102591926 1026371630 /nfs/dbraw/zinc/37/16/30/1026371630.db2.gz GBNUQLQZFWLKPO-OIISXLGYSA-N 1 2 356.495 2.692 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCCc3c(cnn3C)C2)cc1C ZINC000839628576 1026765131 /nfs/dbraw/zinc/76/51/31/1026765131.db2.gz VGANCNSLIFOLSB-UHFFFAOYSA-N 1 2 365.481 2.732 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCc3c(cnn3C)C2)cc1C ZINC000839628576 1026765137 /nfs/dbraw/zinc/76/51/37/1026765137.db2.gz VGANCNSLIFOLSB-UHFFFAOYSA-N 1 2 365.481 2.732 20 30 FFEDLO N#Cc1cnc(N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c(F)c1 ZINC001158586101 1027069669 /nfs/dbraw/zinc/06/96/69/1027069669.db2.gz OVNRTKBRVCHKHZ-WMZOPIPTSA-N 1 2 368.412 2.963 20 30 FFEDLO CSc1nc(C[N@@H+]2CCC[C@H](Oc3ncc(C)cn3)C2)ccc1C#N ZINC001141945602 1027200238 /nfs/dbraw/zinc/20/02/38/1027200238.db2.gz FXAOPVDUIYIVBR-INIZCTEOSA-N 1 2 355.467 2.817 20 30 FFEDLO CSc1nc(C[N@H+]2CCC[C@H](Oc3ncc(C)cn3)C2)ccc1C#N ZINC001141945602 1027200253 /nfs/dbraw/zinc/20/02/53/1027200253.db2.gz FXAOPVDUIYIVBR-INIZCTEOSA-N 1 2 355.467 2.817 20 30 FFEDLO CSC[C@@H]1CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000795601508 1027221076 /nfs/dbraw/zinc/22/10/76/1027221076.db2.gz TYVILSXAYHQAFN-HIFRSBDPSA-N 1 2 370.478 2.587 20 30 FFEDLO CSC[C@@H]1CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000795601508 1027221091 /nfs/dbraw/zinc/22/10/91/1027221091.db2.gz TYVILSXAYHQAFN-HIFRSBDPSA-N 1 2 370.478 2.587 20 30 FFEDLO CC#CCCCC(=O)NCC[C@@H]1C[N@H+](Cc2noc(C3CC3)n2)C[C@H]1C ZINC001103341714 1027265791 /nfs/dbraw/zinc/26/57/91/1027265791.db2.gz SVCGHMPKSZRDFE-NVXWUHKLSA-N 1 2 358.486 2.715 20 30 FFEDLO CC#CCCCC(=O)NCC[C@@H]1C[N@@H+](Cc2noc(C3CC3)n2)C[C@H]1C ZINC001103341714 1027265806 /nfs/dbraw/zinc/26/58/06/1027265806.db2.gz SVCGHMPKSZRDFE-NVXWUHKLSA-N 1 2 358.486 2.715 20 30 FFEDLO C=CCCCC(=O)NCC[C@@H]1C[N@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001103385187 1027371070 /nfs/dbraw/zinc/37/10/70/1027371070.db2.gz GVPZQZZBFYZMSC-HUUCEWRRSA-N 1 2 366.531 2.867 20 30 FFEDLO C=CCCCC(=O)NCC[C@@H]1C[N@@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001103385187 1027371086 /nfs/dbraw/zinc/37/10/86/1027371086.db2.gz GVPZQZZBFYZMSC-HUUCEWRRSA-N 1 2 366.531 2.867 20 30 FFEDLO CC(C)(C)c1ccc(CCNC(=O)CO[NH+]=C(N)Cc2cccnc2)cc1 ZINC000092915042 1027505292 /nfs/dbraw/zinc/50/52/92/1027505292.db2.gz IAULGQFSQCZQKP-UHFFFAOYSA-N 1 2 368.481 2.569 20 30 FFEDLO Cc1nc(CN2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)oc1C ZINC000093055980 1027585708 /nfs/dbraw/zinc/58/57/08/1027585708.db2.gz UBHRMCNAEZAAEH-HNNXBMFYSA-N 1 2 354.454 2.900 20 30 FFEDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1ncc(C)cc1C#C[Si](C)(C)C ZINC001160697145 1027813212 /nfs/dbraw/zinc/81/32/12/1027813212.db2.gz UHLKFNMJIRBHHK-QGZVFWFLSA-N 1 2 370.529 2.549 20 30 FFEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC001160744358 1027848564 /nfs/dbraw/zinc/84/85/64/1027848564.db2.gz GNCZOSHAGJWJDQ-CVEARBPZSA-N 1 2 371.319 2.849 20 30 FFEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC001160744358 1027848578 /nfs/dbraw/zinc/84/85/78/1027848578.db2.gz GNCZOSHAGJWJDQ-CVEARBPZSA-N 1 2 371.319 2.849 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1csc(C)n1 ZINC001153432300 1027880171 /nfs/dbraw/zinc/88/01/71/1027880171.db2.gz JSRXSIRDOMOZKP-XYPHTWIQSA-N 1 2 351.516 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1csc(C)n1 ZINC001153432300 1027880185 /nfs/dbraw/zinc/88/01/85/1027880185.db2.gz JSRXSIRDOMOZKP-XYPHTWIQSA-N 1 2 351.516 2.759 20 30 FFEDLO CCc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1Cl ZINC000796138465 1028494629 /nfs/dbraw/zinc/49/46/29/1028494629.db2.gz FBDDATNFRWIROH-HNNXBMFYSA-N 1 2 374.916 2.975 20 30 FFEDLO CCCc1nc(C[NH2+]CC[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2C)no1 ZINC001104174728 1028633402 /nfs/dbraw/zinc/63/34/02/1028633402.db2.gz ADYBHZYGANKLJR-HZPDHXFCSA-N 1 2 360.502 2.646 20 30 FFEDLO COC(=O)[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(C#N)cc1 ZINC000780635227 1028752753 /nfs/dbraw/zinc/75/27/53/1028752753.db2.gz XEZFQJDKEWZEDW-SFHVURJKSA-N 1 2 361.357 2.815 20 30 FFEDLO N#Cc1ccc([C@@H](O)C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC000780931976 1028878254 /nfs/dbraw/zinc/87/82/54/1028878254.db2.gz HHBJLVLELYYPEP-HXUWFJFHSA-N 1 2 364.449 2.683 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)n1CCC)C2 ZINC001111711280 1029210162 /nfs/dbraw/zinc/21/01/62/1029210162.db2.gz LHDMFVPTHKISHV-RXVVDRJESA-N 1 2 371.529 2.661 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)n1CCC)C2 ZINC001111711280 1029210170 /nfs/dbraw/zinc/21/01/70/1029210170.db2.gz LHDMFVPTHKISHV-RXVVDRJESA-N 1 2 371.529 2.661 20 30 FFEDLO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001156543477 1029240246 /nfs/dbraw/zinc/24/02/46/1029240246.db2.gz LWBPVRZBPJHFEN-CQSZACIVSA-N 1 2 350.463 2.838 20 30 FFEDLO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001156543477 1029240258 /nfs/dbraw/zinc/24/02/58/1029240258.db2.gz LWBPVRZBPJHFEN-CQSZACIVSA-N 1 2 350.463 2.838 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nn(CC)nc1C)C2 ZINC001111759662 1029364259 /nfs/dbraw/zinc/36/42/59/1029364259.db2.gz BLGDCBISDWYMRB-RXVVDRJESA-N 1 2 371.529 2.846 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nn(CC)nc1C)C2 ZINC001111759662 1029364273 /nfs/dbraw/zinc/36/42/73/1029364273.db2.gz BLGDCBISDWYMRB-RXVVDRJESA-N 1 2 371.529 2.846 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1nc(COC)no1)C2 ZINC001111858839 1029631024 /nfs/dbraw/zinc/63/10/24/1029631024.db2.gz AVZFEJUTURBMBJ-DOXZYTNZSA-N 1 2 362.474 2.604 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1nc(COC)no1)C2 ZINC001111858839 1029631027 /nfs/dbraw/zinc/63/10/27/1029631027.db2.gz AVZFEJUTURBMBJ-DOXZYTNZSA-N 1 2 362.474 2.604 20 30 FFEDLO C#Cc1cccc(NC(=O)CN(C)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000782478178 1029713404 /nfs/dbraw/zinc/71/34/04/1029713404.db2.gz ILJRNCBHRAYBDT-UHFFFAOYSA-N 1 2 358.445 2.983 20 30 FFEDLO C=C[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nonc1C)C2)c1ccccc1 ZINC001112001200 1029849658 /nfs/dbraw/zinc/84/96/58/1029849658.db2.gz LXWFTIPQGPMLRS-WFXMLNOXSA-N 1 2 366.465 2.819 20 30 FFEDLO C=C[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nonc1C)C2)c1ccccc1 ZINC001112001200 1029849664 /nfs/dbraw/zinc/84/96/64/1029849664.db2.gz LXWFTIPQGPMLRS-WFXMLNOXSA-N 1 2 366.465 2.819 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccn(CC)n2)C1 ZINC001112086653 1029973199 /nfs/dbraw/zinc/97/31/99/1029973199.db2.gz LWTKBSAYVOHBRJ-HZPDHXFCSA-N 1 2 370.419 2.576 20 30 FFEDLO Cc1cc(Cl)nc(N2CCc3onc(Cn4cc[nH+]c4)c3C2)c1C#N ZINC001165547245 1030019996 /nfs/dbraw/zinc/01/99/96/1030019996.db2.gz NUGPRTWWPUQGCJ-UHFFFAOYSA-N 1 2 354.801 2.711 20 30 FFEDLO Cc1cc(N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)ncc1C#N ZINC001165740651 1030105964 /nfs/dbraw/zinc/10/59/64/1030105964.db2.gz VSPMDPOWODTERP-MRXNPFEDSA-N 1 2 360.421 2.569 20 30 FFEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cnc3ccc(Cl)nn13)C2 ZINC001142991507 1031128422 /nfs/dbraw/zinc/12/84/22/1031128422.db2.gz JKBPHZSGSZIZOM-CRAIPNDOSA-N 1 2 362.861 2.709 20 30 FFEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cnc3ccc(Cl)nn13)C2 ZINC001142991507 1031128430 /nfs/dbraw/zinc/12/84/30/1031128430.db2.gz JKBPHZSGSZIZOM-CRAIPNDOSA-N 1 2 362.861 2.709 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cccc(C(=O)OC)c1 ZINC001204665737 1031404297 /nfs/dbraw/zinc/40/42/97/1031404297.db2.gz LFKKUOPLQQZKIS-GOSISDBHSA-N 1 2 355.438 2.509 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cccc(C(=O)OC)c1 ZINC001204665737 1031404305 /nfs/dbraw/zinc/40/43/05/1031404305.db2.gz LFKKUOPLQQZKIS-GOSISDBHSA-N 1 2 355.438 2.509 20 30 FFEDLO Cc1ccc(C#N)c(N[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)C)n1 ZINC001115369792 1031412963 /nfs/dbraw/zinc/41/29/63/1031412963.db2.gz KKJZCOAYHBRCDI-BRWVUGGUSA-N 1 2 366.469 2.731 20 30 FFEDLO Cc1ccc(C#N)c(N[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)C)n1 ZINC001115369792 1031412970 /nfs/dbraw/zinc/41/29/70/1031412970.db2.gz KKJZCOAYHBRCDI-BRWVUGGUSA-N 1 2 366.469 2.731 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001223338387 1033401054 /nfs/dbraw/zinc/40/10/54/1033401054.db2.gz OFVIROKBXCQERZ-KSZLIROESA-N 1 2 359.518 2.884 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001223338387 1033401061 /nfs/dbraw/zinc/40/10/61/1033401061.db2.gz OFVIROKBXCQERZ-KSZLIROESA-N 1 2 359.518 2.884 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001223338260 1033401637 /nfs/dbraw/zinc/40/16/37/1033401637.db2.gz KFQZFFKPRPTXTJ-SUMDDJOVSA-N 1 2 371.529 2.947 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001223338260 1033401646 /nfs/dbraw/zinc/40/16/46/1033401646.db2.gz KFQZFFKPRPTXTJ-SUMDDJOVSA-N 1 2 371.529 2.947 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3CC(C)C)[C@H]2C1 ZINC001223393007 1033422156 /nfs/dbraw/zinc/42/21/56/1033422156.db2.gz HQFVOBIYFDXLBD-MSOLQXFVSA-N 1 2 359.518 2.713 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3CC(C)C)[C@H]2C1 ZINC001223393007 1033422165 /nfs/dbraw/zinc/42/21/65/1033422165.db2.gz HQFVOBIYFDXLBD-MSOLQXFVSA-N 1 2 359.518 2.713 20 30 FFEDLO CCCC[C@H](CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001219235462 1033567524 /nfs/dbraw/zinc/56/75/24/1033567524.db2.gz WESIBVQXQWCCHZ-IPELMVKDSA-N 1 2 361.461 2.575 20 30 FFEDLO CCCC[C@H](CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001219235462 1033567530 /nfs/dbraw/zinc/56/75/30/1033567530.db2.gz WESIBVQXQWCCHZ-IPELMVKDSA-N 1 2 361.461 2.575 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cnn2ccc(Cl)nc12 ZINC001276916016 1033570952 /nfs/dbraw/zinc/57/09/52/1033570952.db2.gz ZBAFTEGRJRROIP-IBGZPJMESA-N 1 2 373.888 2.916 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cnn2ccc(Cl)nc12 ZINC001276916016 1033570960 /nfs/dbraw/zinc/57/09/60/1033570960.db2.gz ZBAFTEGRJRROIP-IBGZPJMESA-N 1 2 373.888 2.916 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(C)c(C)nc1Cl)C2 ZINC001276932371 1033652397 /nfs/dbraw/zinc/65/23/97/1033652397.db2.gz BSXZPVGKCMQETC-LJQANCHMSA-N 1 2 363.889 2.589 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(C)c(C)nc1Cl)C2 ZINC001276932371 1033652399 /nfs/dbraw/zinc/65/23/99/1033652399.db2.gz BSXZPVGKCMQETC-LJQANCHMSA-N 1 2 363.889 2.589 20 30 FFEDLO N#CCC[NH+]1CCC2(C[C@@H]2C(=O)NCCCOc2ccc(F)cc2)CC1 ZINC001276949141 1033730305 /nfs/dbraw/zinc/73/03/05/1033730305.db2.gz PPTBZYSOOMVWTR-GOSISDBHSA-N 1 2 359.445 2.727 20 30 FFEDLO C#CCN1C[C@@]2(F)C[N@@H+](CCc3cccc4ccccc43)C[C@@]2(F)C1=O ZINC001276990701 1033975425 /nfs/dbraw/zinc/97/54/25/1033975425.db2.gz YCZRULVIERCSBI-LEWJYISDSA-N 1 2 354.400 2.590 20 30 FFEDLO C#CCN1C[C@@]2(F)C[N@H+](CCc3cccc4ccccc43)C[C@@]2(F)C1=O ZINC001276990701 1033975436 /nfs/dbraw/zinc/97/54/36/1033975436.db2.gz YCZRULVIERCSBI-LEWJYISDSA-N 1 2 354.400 2.590 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccc2Cl)C[C@@H]1O ZINC001220201670 1034042263 /nfs/dbraw/zinc/04/22/63/1034042263.db2.gz XDVOTAJKVHKTFN-VHSSKADRSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccc2Cl)C[C@@H]1O ZINC001220201670 1034042279 /nfs/dbraw/zinc/04/22/79/1034042279.db2.gz XDVOTAJKVHKTFN-VHSSKADRSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)c(OC)c2)C[C@@H]1O ZINC001220201027 1034042685 /nfs/dbraw/zinc/04/26/85/1034042685.db2.gz CZIBPRJHCVQCMD-XKQJLSEDSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(OC)c2)C[C@@H]1O ZINC001220201027 1034042699 /nfs/dbraw/zinc/04/26/99/1034042699.db2.gz CZIBPRJHCVQCMD-XKQJLSEDSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C(=O)OCC(COC(=O)C(=C)C)OCCCCC(=[NH2+])OCC ZINC001224960336 1034072015 /nfs/dbraw/zinc/07/20/15/1034072015.db2.gz ASUMBZWNJOERQE-UHFFFAOYSA-N 1 2 355.431 2.794 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccc2Cl)C[C@@H]1O ZINC001220435954 1034174449 /nfs/dbraw/zinc/17/44/49/1034174449.db2.gz NRIBLTHITGAZGC-SJORKVTESA-N 1 2 366.889 2.612 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccc2Cl)C[C@@H]1O ZINC001220435954 1034174455 /nfs/dbraw/zinc/17/44/55/1034174455.db2.gz NRIBLTHITGAZGC-SJORKVTESA-N 1 2 366.889 2.612 20 30 FFEDLO CCC(CC)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220624792 1034301072 /nfs/dbraw/zinc/30/10/72/1034301072.db2.gz QBOAXUSYQATXOE-MOPGFXCFSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC(CC)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220624792 1034301084 /nfs/dbraw/zinc/30/10/84/1034301084.db2.gz QBOAXUSYQATXOE-MOPGFXCFSA-N 1 2 362.901 2.679 20 30 FFEDLO C[C@H](CCC(C)(C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001220764148 1034385995 /nfs/dbraw/zinc/38/59/95/1034385995.db2.gz AUUFXQFOVXFWHK-XYPHTWIQSA-N 1 2 363.527 2.743 20 30 FFEDLO C[C@H](CCC(C)(C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001220764148 1034385998 /nfs/dbraw/zinc/38/59/98/1034385998.db2.gz AUUFXQFOVXFWHK-XYPHTWIQSA-N 1 2 363.527 2.743 20 30 FFEDLO CCC[C@@H](CC(C)C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001221126759 1034566301 /nfs/dbraw/zinc/56/63/01/1034566301.db2.gz XDOTWUATNWLMRT-HBMCJLEFSA-N 1 2 356.510 2.662 20 30 FFEDLO CCC[C@@H](CC(C)C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001221126759 1034566306 /nfs/dbraw/zinc/56/63/06/1034566306.db2.gz XDOTWUATNWLMRT-HBMCJLEFSA-N 1 2 356.510 2.662 20 30 FFEDLO CCO[C@H](CC)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221373540 1034696000 /nfs/dbraw/zinc/69/60/00/1034696000.db2.gz VCVXNNSHBDUNLB-MISYRCLQSA-N 1 2 358.457 2.525 20 30 FFEDLO CCO[C@H](CC)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221373540 1034696008 /nfs/dbraw/zinc/69/60/08/1034696008.db2.gz VCVXNNSHBDUNLB-MISYRCLQSA-N 1 2 358.457 2.525 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](Cc2c[nH]c3c2cccc3Cl)CC1 ZINC001138833633 1034730132 /nfs/dbraw/zinc/73/01/32/1034730132.db2.gz HTTIBOQMWYCQSG-UHFFFAOYSA-N 1 2 352.829 2.805 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ncoc3C(C)C)C[C@H]21 ZINC001221423477 1034738970 /nfs/dbraw/zinc/73/89/70/1034738970.db2.gz JLXMPCXYZBVWEV-LZLYRXPVSA-N 1 2 361.486 2.812 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ncoc3C(C)C)C[C@H]21 ZINC001221423477 1034738978 /nfs/dbraw/zinc/73/89/78/1034738978.db2.gz JLXMPCXYZBVWEV-LZLYRXPVSA-N 1 2 361.486 2.812 20 30 FFEDLO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001138856907 1034747466 /nfs/dbraw/zinc/74/74/66/1034747466.db2.gz FCIGXVQBJDPIGW-KRWDZBQOSA-N 1 2 354.410 2.501 20 30 FFEDLO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001138856907 1034747481 /nfs/dbraw/zinc/74/74/81/1034747481.db2.gz FCIGXVQBJDPIGW-KRWDZBQOSA-N 1 2 354.410 2.501 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221488381 1034813854 /nfs/dbraw/zinc/81/38/54/1034813854.db2.gz FUSXUAGDNZKMSU-YLJYHZDGSA-N 1 2 353.441 2.924 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221488381 1034813865 /nfs/dbraw/zinc/81/38/65/1034813865.db2.gz FUSXUAGDNZKMSU-YLJYHZDGSA-N 1 2 353.441 2.924 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C)c3)C[C@H]21 ZINC001221512558 1034831479 /nfs/dbraw/zinc/83/14/79/1034831479.db2.gz GGFBTJNHCXIMMQ-NLWGTHIKSA-N 1 2 367.493 2.658 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc(C)c3)C[C@H]21 ZINC001221512558 1034831486 /nfs/dbraw/zinc/83/14/86/1034831486.db2.gz GGFBTJNHCXIMMQ-NLWGTHIKSA-N 1 2 367.493 2.658 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@H+](Cc3nc4ccc(F)cc4o3)C[C@H]21 ZINC001221534938 1034853406 /nfs/dbraw/zinc/85/34/06/1034853406.db2.gz FERWMEBCTBCUEB-RHSMWYFYSA-N 1 2 355.413 2.659 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@@H+](Cc3nc4ccc(F)cc4o3)C[C@H]21 ZINC001221534938 1034853407 /nfs/dbraw/zinc/85/34/07/1034853407.db2.gz FERWMEBCTBCUEB-RHSMWYFYSA-N 1 2 355.413 2.659 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](Cc3c(C)nn(C)c3Cl)C[C@H]21 ZINC001221582787 1034895467 /nfs/dbraw/zinc/89/54/67/1034895467.db2.gz ZVXIZNYYZKUIIZ-GDBMZVCRSA-N 1 2 350.894 2.771 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](Cc3c(C)nn(C)c3Cl)C[C@H]21 ZINC001221582787 1034895472 /nfs/dbraw/zinc/89/54/72/1034895472.db2.gz ZVXIZNYYZKUIIZ-GDBMZVCRSA-N 1 2 350.894 2.771 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C5CC5)no4)C[C@H]32)CCC1 ZINC001221612309 1034919409 /nfs/dbraw/zinc/91/94/09/1034919409.db2.gz ZNJWGGFKLHOQJW-VQIMIIECSA-N 1 2 353.466 2.778 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C5CC5)no4)C[C@H]32)CCC1 ZINC001221612309 1034919413 /nfs/dbraw/zinc/91/94/13/1034919413.db2.gz ZNJWGGFKLHOQJW-VQIMIIECSA-N 1 2 353.466 2.778 20 30 FFEDLO C=C(Cl)CN1CC[C@@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221636669 1034938608 /nfs/dbraw/zinc/93/86/08/1034938608.db2.gz WKHSXJZTITYHRY-IXDOHACOSA-N 1 2 350.894 2.756 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)c3ccccc3)C[C@H]21 ZINC001221760434 1035045019 /nfs/dbraw/zinc/04/50/19/1035045019.db2.gz FZNWMSQFBMHHBM-NLWGTHIKSA-N 1 2 369.509 2.784 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)c3ccccc3)C[C@H]21 ZINC001221760434 1035045024 /nfs/dbraw/zinc/04/50/24/1035045024.db2.gz FZNWMSQFBMHHBM-NLWGTHIKSA-N 1 2 369.509 2.784 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3c(C)nn(C)c3Cl)C[C@H]21 ZINC001221779673 1035062729 /nfs/dbraw/zinc/06/27/29/1035062729.db2.gz HRNMUCVHHFNFRC-GDBMZVCRSA-N 1 2 350.894 2.771 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+](Cc3c(C)nn(C)c3Cl)C[C@H]21 ZINC001221779673 1035062733 /nfs/dbraw/zinc/06/27/33/1035062733.db2.gz HRNMUCVHHFNFRC-GDBMZVCRSA-N 1 2 350.894 2.771 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)CCC(C)C)C[C@H]21 ZINC001221783962 1035065444 /nfs/dbraw/zinc/06/54/44/1035065444.db2.gz ZECCLRXISVCJEF-IPMKNSEASA-N 1 2 363.546 2.816 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@@H](C)CCC(C)C)C[C@H]21 ZINC001221783962 1035065454 /nfs/dbraw/zinc/06/54/54/1035065454.db2.gz ZECCLRXISVCJEF-IPMKNSEASA-N 1 2 363.546 2.816 20 30 FFEDLO CC(C)(C)OC(=O)N1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C#N ZINC001139362311 1035074177 /nfs/dbraw/zinc/07/41/77/1035074177.db2.gz KWTYNQWVPMWRMV-GOSISDBHSA-N 1 2 367.453 2.817 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCc3nc(C4CC4)no3)[C@@H]2C1 ZINC001221858171 1035119341 /nfs/dbraw/zinc/11/93/41/1035119341.db2.gz WIDNAVRSCMECPO-HUUCEWRRSA-N 1 2 364.877 2.555 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCCc3nc(C4CC4)no3)[C@@H]2C1 ZINC001221858171 1035119345 /nfs/dbraw/zinc/11/93/45/1035119345.db2.gz WIDNAVRSCMECPO-HUUCEWRRSA-N 1 2 364.877 2.555 20 30 FFEDLO CC(C)C(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1cc(C#N)ccc1F)CCO2 ZINC001139649138 1035189709 /nfs/dbraw/zinc/18/97/09/1035189709.db2.gz OWKIFYKXPAGHQP-FQEVSTJZSA-N 1 2 359.445 2.547 20 30 FFEDLO CC(C)C(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1cc(C#N)ccc1F)CCO2 ZINC001139649138 1035189715 /nfs/dbraw/zinc/18/97/15/1035189715.db2.gz OWKIFYKXPAGHQP-FQEVSTJZSA-N 1 2 359.445 2.547 20 30 FFEDLO C=CCn1cc(C[N@@H+]2Cc3c(cnn3CC3CC3)[C@H](COCC)C2)cn1 ZINC001139770009 1035227188 /nfs/dbraw/zinc/22/71/88/1035227188.db2.gz YXGJVMUZVKKOKM-SFHVURJKSA-N 1 2 355.486 2.812 20 30 FFEDLO C=CCn1cc(C[N@H+]2Cc3c(cnn3CC3CC3)[C@H](COCC)C2)cn1 ZINC001139770009 1035227192 /nfs/dbraw/zinc/22/71/92/1035227192.db2.gz YXGJVMUZVKKOKM-SFHVURJKSA-N 1 2 355.486 2.812 20 30 FFEDLO N#Cc1cc(F)cc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC001139873354 1035263234 /nfs/dbraw/zinc/26/32/34/1035263234.db2.gz LKHFAUFOLILZOP-UHFFFAOYSA-N 1 2 353.397 2.744 20 30 FFEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1sc(N2CCOCC2)nc1Cl ZINC001139901808 1035269694 /nfs/dbraw/zinc/26/96/94/1035269694.db2.gz BIVLWFGMNCAHAD-XYYAHUGASA-N 1 2 352.891 2.900 20 30 FFEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1sc(N2CCOCC2)nc1Cl ZINC001139901808 1035269699 /nfs/dbraw/zinc/26/96/99/1035269699.db2.gz BIVLWFGMNCAHAD-XYYAHUGASA-N 1 2 352.891 2.900 20 30 FFEDLO CN(c1ccccc1C=[NH+]Nc1ccc(C(=O)[O-])nc1)C1CC[NH+](C)CC1 ZINC000835006473 1035486196 /nfs/dbraw/zinc/48/61/96/1035486196.db2.gz FQSGLQHUHFIFQX-UHFFFAOYSA-N 1 2 367.453 2.756 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC000835082271 1035521050 /nfs/dbraw/zinc/52/10/50/1035521050.db2.gz RDDTXPWZVLQLNX-MRXNPFEDSA-N 1 2 363.433 2.813 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC000835082271 1035521057 /nfs/dbraw/zinc/52/10/57/1035521057.db2.gz RDDTXPWZVLQLNX-MRXNPFEDSA-N 1 2 363.433 2.813 20 30 FFEDLO CS(=O)(=O)c1cccc(C2CC[NH+](Cc3ccc(C#N)nc3)CC2)c1 ZINC001140546948 1035608262 /nfs/dbraw/zinc/60/82/62/1035608262.db2.gz BEPZQALOFGUNCX-UHFFFAOYSA-N 1 2 355.463 2.736 20 30 FFEDLO C[C@@H](Oc1ccc(O)c(C#N)c1C#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001227619264 1035640703 /nfs/dbraw/zinc/64/07/03/1035640703.db2.gz QJSOUPHLTJDCST-VFNWGFHPSA-N 1 2 363.417 2.804 20 30 FFEDLO C[C@@H](Oc1ccc(O)c(C#N)c1C#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001227619264 1035640713 /nfs/dbraw/zinc/64/07/13/1035640713.db2.gz QJSOUPHLTJDCST-VFNWGFHPSA-N 1 2 363.417 2.804 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(F)c(OC(F)(F)F)c(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227648109 1035656485 /nfs/dbraw/zinc/65/64/85/1035656485.db2.gz RDMRNIRFSIEHNQ-PEUDNIOHSA-N 1 2 351.271 2.855 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(F)c(OC(F)(F)F)c(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227648109 1035656496 /nfs/dbraw/zinc/65/64/96/1035656496.db2.gz RDMRNIRFSIEHNQ-PEUDNIOHSA-N 1 2 351.271 2.855 20 30 FFEDLO C[N@H+]1CCO[C@H](COc2ccc(C[C@H](C#N)c3ccc(O)cc3)cc2)C1 ZINC001227721833 1035696463 /nfs/dbraw/zinc/69/64/63/1035696463.db2.gz KXEWPNXCNFGIAK-NQIIRXRSSA-N 1 2 352.434 2.951 20 30 FFEDLO C[N@@H+]1CCO[C@H](COc2ccc(C[C@H](C#N)c3ccc(O)cc3)cc2)C1 ZINC001227721833 1035696458 /nfs/dbraw/zinc/69/64/58/1035696458.db2.gz KXEWPNXCNFGIAK-NQIIRXRSSA-N 1 2 352.434 2.951 20 30 FFEDLO CC(C)(C)OC(=O)N1CCO[C@]2(CCC[N@H+](Cc3cc(C#N)ccn3)C2)C1 ZINC001232478366 1035722786 /nfs/dbraw/zinc/72/27/86/1035722786.db2.gz UKCRXRKHUQRIGR-FQEVSTJZSA-N 1 2 372.469 2.555 20 30 FFEDLO CC(C)(C)OC(=O)N1CCO[C@]2(CCC[N@@H+](Cc3cc(C#N)ccn3)C2)C1 ZINC001232478366 1035722805 /nfs/dbraw/zinc/72/28/05/1035722805.db2.gz UKCRXRKHUQRIGR-FQEVSTJZSA-N 1 2 372.469 2.555 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@]3(C[C@H](Oc4ncccc4F)CO3)C2)c1 ZINC001232676517 1035934027 /nfs/dbraw/zinc/93/40/27/1035934027.db2.gz LFFFDTIYCOQHOQ-JXFKEZNVSA-N 1 2 369.396 2.610 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@]3(C[C@H](Oc4ncccc4F)CO3)C2)c1 ZINC001232676517 1035934033 /nfs/dbraw/zinc/93/40/33/1035934033.db2.gz LFFFDTIYCOQHOQ-JXFKEZNVSA-N 1 2 369.396 2.610 20 30 FFEDLO CC[N@@H+](Cc1cc(C#N)ccc1O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001232681863 1035938641 /nfs/dbraw/zinc/93/86/41/1035938641.db2.gz WXKUQWJPROMONJ-OAQYLSRUSA-N 1 2 365.477 2.987 20 30 FFEDLO CC[N@H+](Cc1cc(C#N)ccc1O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001232681863 1035938659 /nfs/dbraw/zinc/93/86/59/1035938659.db2.gz WXKUQWJPROMONJ-OAQYLSRUSA-N 1 2 365.477 2.987 20 30 FFEDLO COc1cc(C)nc(O[C@@H]2CC[N@H+](Cc3cc(F)c(C#N)c(F)c3)C2)n1 ZINC001140755415 1036067130 /nfs/dbraw/zinc/06/71/30/1036067130.db2.gz DUBXBUCZTOHQLJ-CYBMUJFWSA-N 1 2 360.364 2.597 20 30 FFEDLO COc1cc(C)nc(O[C@@H]2CC[N@@H+](Cc3cc(F)c(C#N)c(F)c3)C2)n1 ZINC001140755415 1036067149 /nfs/dbraw/zinc/06/71/49/1036067149.db2.gz DUBXBUCZTOHQLJ-CYBMUJFWSA-N 1 2 360.364 2.597 20 30 FFEDLO N#Cc1c(F)cc(C[N@@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)cc1F ZINC001140757681 1036072059 /nfs/dbraw/zinc/07/20/59/1036072059.db2.gz OYFOTSVEOBGGOL-SJORKVTESA-N 1 2 374.416 2.782 20 30 FFEDLO N#Cc1c(F)cc(C[N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)cc1F ZINC001140757681 1036072081 /nfs/dbraw/zinc/07/20/81/1036072081.db2.gz OYFOTSVEOBGGOL-SJORKVTESA-N 1 2 374.416 2.782 20 30 FFEDLO CSc1ncc(C#N)c(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001228680939 1036252717 /nfs/dbraw/zinc/25/27/17/1036252717.db2.gz CPJGOOPXJGDWFP-MRXNPFEDSA-N 1 2 351.435 2.595 20 30 FFEDLO CSc1ncc(C#N)c(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001228680939 1036252726 /nfs/dbraw/zinc/25/27/26/1036252726.db2.gz CPJGOOPXJGDWFP-MRXNPFEDSA-N 1 2 351.435 2.595 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](Cc2[nH]cc(C)c2C)Cc2nnn(CC3CC3)c21 ZINC001140860122 1036303192 /nfs/dbraw/zinc/30/31/92/1036303192.db2.gz IXSWGSUIEWLMJA-QGZVFWFLSA-N 1 2 355.486 2.935 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](Cc2[nH]cc(C)c2C)Cc2nnn(CC3CC3)c21 ZINC001140860122 1036303210 /nfs/dbraw/zinc/30/32/10/1036303210.db2.gz IXSWGSUIEWLMJA-QGZVFWFLSA-N 1 2 355.486 2.935 20 30 FFEDLO CN(C)c1ccc(C[NH+]2CC(CNC(=O)OC(C)(C)C)C2)c(F)c1C#N ZINC001233098071 1036345217 /nfs/dbraw/zinc/34/52/17/1036345217.db2.gz DYTONNNASJYSGI-UHFFFAOYSA-N 1 2 362.449 2.720 20 30 FFEDLO COc1cc(O)c(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1Br ZINC001233137009 1036386138 /nfs/dbraw/zinc/38/61/38/1036386138.db2.gz FASCNRYKBZQKCK-AWEZNQCLSA-N 1 2 370.268 2.937 20 30 FFEDLO COc1cc(O)c(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1Br ZINC001233137009 1036386156 /nfs/dbraw/zinc/38/61/56/1036386156.db2.gz FASCNRYKBZQKCK-AWEZNQCLSA-N 1 2 370.268 2.937 20 30 FFEDLO Cc1csc(C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c1C ZINC001277357198 1036502745 /nfs/dbraw/zinc/50/27/45/1036502745.db2.gz CYFRDAFWEOLSEI-UHFFFAOYSA-N 1 2 354.479 2.533 20 30 FFEDLO C=CCOCc1nn(CC2CC2)c2c1CN(Cc1cccc(N)[nH+]1)CC2 ZINC001233369763 1036566385 /nfs/dbraw/zinc/56/63/85/1036566385.db2.gz BVEKHAHVNRKTFE-UHFFFAOYSA-N 1 2 353.470 2.531 20 30 FFEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1cccc(N)n1)CC2 ZINC001233369763 1036566397 /nfs/dbraw/zinc/56/63/97/1036566397.db2.gz BVEKHAHVNRKTFE-UHFFFAOYSA-N 1 2 353.470 2.531 20 30 FFEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1cccc(N)n1)CC2 ZINC001233369763 1036566414 /nfs/dbraw/zinc/56/64/14/1036566414.db2.gz BVEKHAHVNRKTFE-UHFFFAOYSA-N 1 2 353.470 2.531 20 30 FFEDLO Cc1ccn2cc(CNC(=O)N3CCC[C@@H](Cc4[nH+]ccn4C)C3)nc2c1 ZINC000330137603 1036571524 /nfs/dbraw/zinc/57/15/24/1036571524.db2.gz NXYJNFDSUDGWEE-INIZCTEOSA-N 1 2 366.469 2.745 20 30 FFEDLO N#Cc1ccc(C[N@H+]2Cc3nccn3C[C@@H](COCC3CC3)C2)c(O)c1 ZINC001233385184 1036584501 /nfs/dbraw/zinc/58/45/01/1036584501.db2.gz XRDGDPUIKCPDBJ-KRWDZBQOSA-N 1 2 352.438 2.519 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)c(O)c1 ZINC001233385135 1036586998 /nfs/dbraw/zinc/58/69/98/1036586998.db2.gz VUDUIXCQVGWDCW-YVWKXTFCSA-N 1 2 365.433 2.717 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2O)CCC1(F)F ZINC001233387235 1036589257 /nfs/dbraw/zinc/58/92/57/1036589257.db2.gz ATTYEPWVDJDXLH-OAHLLOKOSA-N 1 2 367.396 2.998 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2O)CCC1(F)F ZINC001233387235 1036589265 /nfs/dbraw/zinc/58/92/65/1036589265.db2.gz ATTYEPWVDJDXLH-OAHLLOKOSA-N 1 2 367.396 2.998 20 30 FFEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3cn4c(cccc4Cl)n3)CC2)nc1 ZINC001233599876 1036689740 /nfs/dbraw/zinc/68/97/40/1036689740.db2.gz PXIAWBGAFSBVRH-UHFFFAOYSA-N 1 2 366.856 2.967 20 30 FFEDLO N#Cc1ccc(N2CCC[N@H+](Cc3cn4c(cccc4Cl)n3)CC2)nc1 ZINC001233599876 1036689745 /nfs/dbraw/zinc/68/97/45/1036689745.db2.gz PXIAWBGAFSBVRH-UHFFFAOYSA-N 1 2 366.856 2.967 20 30 FFEDLO N#Cc1cc(F)c(C[NH+]2CCC3(C[C@H]3C(=O)NCC(F)F)CC2)c(F)c1 ZINC001277399835 1036756114 /nfs/dbraw/zinc/75/61/14/1036756114.db2.gz ZAIAUCFGNREBCC-ZDUSSCGKSA-N 1 2 369.362 2.820 20 30 FFEDLO N#Cc1cc(F)c(C[NH+]2CCC3(C[C@@H]3C(=O)NCC(F)F)CC2)c(F)c1 ZINC001277399834 1036756703 /nfs/dbraw/zinc/75/67/03/1036756703.db2.gz ZAIAUCFGNREBCC-CYBMUJFWSA-N 1 2 369.362 2.820 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cc(F)cc(C(=O)OC)c2)C1=O ZINC001277817444 1036818080 /nfs/dbraw/zinc/81/80/80/1036818080.db2.gz NUNVITXGMAXLJW-HXUWFJFHSA-N 1 2 360.429 2.755 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)cc(C(=O)OC)c2)C1=O ZINC001277817444 1036818100 /nfs/dbraw/zinc/81/81/00/1036818100.db2.gz NUNVITXGMAXLJW-HXUWFJFHSA-N 1 2 360.429 2.755 20 30 FFEDLO C=CCCCCCC[C@H](O)C[NH+]1CC2(C1)CN(CC=C(C)C)C(=O)CO2 ZINC001277840417 1036966964 /nfs/dbraw/zinc/96/69/64/1036966964.db2.gz FMPCDMFCNBOAMH-IBGZPJMESA-N 1 2 364.530 2.753 20 30 FFEDLO C=CCN(CCN1CC[NH+](Cc2ccccn2)CC1)C(=O)OC(C)(C)C ZINC001207202475 1037242445 /nfs/dbraw/zinc/24/24/45/1037242445.db2.gz UUAZIHRNYOKVEZ-UHFFFAOYSA-N 1 2 360.502 2.622 20 30 FFEDLO C=CCN(CC[NH+]1CCN(Cc2ccccn2)CC1)C(=O)OC(C)(C)C ZINC001207202475 1037242462 /nfs/dbraw/zinc/24/24/62/1037242462.db2.gz UUAZIHRNYOKVEZ-UHFFFAOYSA-N 1 2 360.502 2.622 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)ccc1OC ZINC001234952567 1037256617 /nfs/dbraw/zinc/25/66/17/1037256617.db2.gz LARYHDLUWJLEEK-UHFFFAOYSA-N 1 2 365.433 2.676 20 30 FFEDLO CC(C)(C)OC(=O)NC12CC(C[N@@H+]3CCC4SC(=O)C=C4C3)(C1)C2 ZINC001207262454 1037293358 /nfs/dbraw/zinc/29/33/58/1037293358.db2.gz OGUIYFUQMUXTDL-NLNFPOJYSA-N 1 2 350.484 2.708 20 30 FFEDLO CC(C)(C)OC(=O)NC12CC(C[N@H+]3CCC4SC(=O)C=C4C3)(C1)C2 ZINC001207262454 1037293383 /nfs/dbraw/zinc/29/33/83/1037293383.db2.gz OGUIYFUQMUXTDL-NLNFPOJYSA-N 1 2 350.484 2.708 20 30 FFEDLO CC(C)(C)OC(=O)NC12CC(C[N@@H+]3CC[C@H]4SC(=O)C=C4C3)(C1)C2 ZINC001207262454 1037293400 /nfs/dbraw/zinc/29/34/00/1037293400.db2.gz OGUIYFUQMUXTDL-NLNFPOJYSA-N 1 2 350.484 2.708 20 30 FFEDLO CC(C)(C)OC(=O)NC12CC(C[N@H+]3CC[C@H]4SC(=O)C=C4C3)(C1)C2 ZINC001207262454 1037293417 /nfs/dbraw/zinc/29/34/17/1037293417.db2.gz OGUIYFUQMUXTDL-NLNFPOJYSA-N 1 2 350.484 2.708 20 30 FFEDLO Cc1noc(C)c1CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C#N)s2)C1=O ZINC001277944287 1037542687 /nfs/dbraw/zinc/54/26/87/1037542687.db2.gz LSJUYRZMNJKAEE-LJQANCHMSA-N 1 2 370.478 2.992 20 30 FFEDLO Cc1noc(C)c1CN1CC[C@]2(CCC[N@H+]2Cc2ccc(C#N)s2)C1=O ZINC001277944287 1037542702 /nfs/dbraw/zinc/54/27/02/1037542702.db2.gz LSJUYRZMNJKAEE-LJQANCHMSA-N 1 2 370.478 2.992 20 30 FFEDLO N#Cc1cc(F)c(C[N@H+]2CCC[C@H](Oc3ccc(C(N)=O)cc3)C2)c(F)c1 ZINC001235659980 1037667052 /nfs/dbraw/zinc/66/70/52/1037667052.db2.gz BYJHSBPHWHFEOZ-INIZCTEOSA-N 1 2 371.387 2.979 20 30 FFEDLO N#Cc1cc(F)c(C[N@@H+]2CCC[C@H](Oc3ccc(C(N)=O)cc3)C2)c(F)c1 ZINC001235659980 1037667061 /nfs/dbraw/zinc/66/70/61/1037667061.db2.gz BYJHSBPHWHFEOZ-INIZCTEOSA-N 1 2 371.387 2.979 20 30 FFEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)ccc1C#N ZINC001277975513 1037810551 /nfs/dbraw/zinc/81/05/51/1037810551.db2.gz UHKUPBXCFIXPQT-FQEVSTJZSA-N 1 2 354.429 2.958 20 30 FFEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001277975513 1037810571 /nfs/dbraw/zinc/81/05/71/1037810571.db2.gz UHKUPBXCFIXPQT-FQEVSTJZSA-N 1 2 354.429 2.958 20 30 FFEDLO CCn1cc2c(n1)C[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C[C@H]2COC ZINC001231816540 1037927179 /nfs/dbraw/zinc/92/71/79/1037927179.db2.gz AVDZXHPBZOVPND-SFHVURJKSA-N 1 2 367.497 2.999 20 30 FFEDLO CCn1cc2c(n1)C[N@H+](Cc1ccc(N(C)CCC#N)cc1)C[C@H]2COC ZINC001231816540 1037927187 /nfs/dbraw/zinc/92/71/87/1037927187.db2.gz AVDZXHPBZOVPND-SFHVURJKSA-N 1 2 367.497 2.999 20 30 FFEDLO CC(C)N(C)C(=O)C1=NO[C@]2(CC[N@H+](Cc3ccc(C#N)c(Cl)c3)C2)C1 ZINC001232111604 1038177025 /nfs/dbraw/zinc/17/70/25/1038177025.db2.gz DPDRQQFKEDPMEU-LJQANCHMSA-N 1 2 374.872 2.799 20 30 FFEDLO CC(C)N(C)C(=O)C1=NO[C@]2(CC[N@@H+](Cc3ccc(C#N)c(Cl)c3)C2)C1 ZINC001232111604 1038177033 /nfs/dbraw/zinc/17/70/33/1038177033.db2.gz DPDRQQFKEDPMEU-LJQANCHMSA-N 1 2 374.872 2.799 20 30 FFEDLO CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C#N)c(Br)c1 ZINC001236861411 1038314745 /nfs/dbraw/zinc/31/47/45/1038314745.db2.gz XSWPEQWVNANPQI-QGZVFWFLSA-N 1 2 362.271 2.908 20 30 FFEDLO CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C#N)c(Br)c1 ZINC001236861411 1038314760 /nfs/dbraw/zinc/31/47/60/1038314760.db2.gz XSWPEQWVNANPQI-QGZVFWFLSA-N 1 2 362.271 2.908 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@](C)(C=C)CC)C2)c1 ZINC001208511606 1038373661 /nfs/dbraw/zinc/37/36/61/1038373661.db2.gz BCDDWUGVYMTZTE-PERKRYKHSA-N 1 2 367.493 2.645 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@](C)(C=C)CC)C2)c1 ZINC001208511606 1038373672 /nfs/dbraw/zinc/37/36/72/1038373672.db2.gz BCDDWUGVYMTZTE-PERKRYKHSA-N 1 2 367.493 2.645 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1sccc1C(=O)OCC ZINC001278043309 1038411644 /nfs/dbraw/zinc/41/16/44/1038411644.db2.gz HCBPTYQYMVGGDG-IBGZPJMESA-N 1 2 360.479 2.515 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1sccc1C(=O)OCC ZINC001278043309 1038411649 /nfs/dbraw/zinc/41/16/49/1038411649.db2.gz HCBPTYQYMVGGDG-IBGZPJMESA-N 1 2 360.479 2.515 20 30 FFEDLO C[NH+]1CCN(c2ccc(CN3CC[C@H](C#N)C3)cc2Br)CC1 ZINC001237091664 1038440997 /nfs/dbraw/zinc/44/09/97/1038440997.db2.gz CGQIWPUGNJKNOI-OAHLLOKOSA-N 1 2 363.303 2.546 20 30 FFEDLO N#Cc1cccc2c1CCN2C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001276600943 1038615234 /nfs/dbraw/zinc/61/52/34/1038615234.db2.gz XHEUSDKJWYNGSA-UHFFFAOYSA-N 1 2 359.345 2.855 20 30 FFEDLO N#Cc1ccc(Nc2cc(I)c3[nH+]ccn3c2)cn1 ZINC001209545046 1038973840 /nfs/dbraw/zinc/97/38/40/1038973840.db2.gz VLCJVXMBVFPHCK-UHFFFAOYSA-N 1 2 361.146 2.949 20 30 FFEDLO Cc1cc(F)c(C#N)cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001537408022 1070179538 /nfs/dbraw/zinc/17/95/38/1070179538.db2.gz JZFCXELVSUULMW-LJQANCHMSA-N 1 2 353.397 2.845 20 30 FFEDLO Cc1cc(F)c(C#N)cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001537408022 1070179543 /nfs/dbraw/zinc/17/95/43/1070179543.db2.gz JZFCXELVSUULMW-LJQANCHMSA-N 1 2 353.397 2.845 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Br)c[nH]1 ZINC001276660918 1039106836 /nfs/dbraw/zinc/10/68/36/1039106836.db2.gz MLZOKYMROKSKOB-INIZCTEOSA-N 1 2 352.276 2.920 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Br)c[nH]1 ZINC001276660918 1039106842 /nfs/dbraw/zinc/10/68/42/1039106842.db2.gz MLZOKYMROKSKOB-INIZCTEOSA-N 1 2 352.276 2.920 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC(C)C)C2)c1 ZINC001209808459 1039235775 /nfs/dbraw/zinc/23/57/75/1039235775.db2.gz QLYJRBAUDFTJGX-SQGPQFPESA-N 1 2 369.509 2.725 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC(C)C)C2)c1 ZINC001209808459 1039235782 /nfs/dbraw/zinc/23/57/82/1039235782.db2.gz QLYJRBAUDFTJGX-SQGPQFPESA-N 1 2 369.509 2.725 20 30 FFEDLO C[NH+](C)[C@H]1CCOc2c(NS(=O)(=O)c3ccccc3C#N)cccc21 ZINC001258282878 1039295632 /nfs/dbraw/zinc/29/56/32/1039295632.db2.gz DIBKNPKJFBAVQO-INIZCTEOSA-N 1 2 357.435 2.744 20 30 FFEDLO CCCCCCCC[C@@H](O)C[N@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001252125183 1039440034 /nfs/dbraw/zinc/44/00/34/1039440034.db2.gz BIJGBRCTCSAEIS-DLBZAZTESA-N 1 2 352.523 2.955 20 30 FFEDLO CCCCCCCC[C@@H](O)C[N@@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001252125183 1039440046 /nfs/dbraw/zinc/44/00/46/1039440046.db2.gz BIJGBRCTCSAEIS-DLBZAZTESA-N 1 2 352.523 2.955 20 30 FFEDLO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC001252129731 1039441427 /nfs/dbraw/zinc/44/14/27/1039441427.db2.gz CHMJDFKSGZHLTI-IKGGRYGDSA-N 1 2 357.491 2.525 20 30 FFEDLO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC001252129731 1039441432 /nfs/dbraw/zinc/44/14/32/1039441432.db2.gz CHMJDFKSGZHLTI-IKGGRYGDSA-N 1 2 357.491 2.525 20 30 FFEDLO C=CCC[C@H](O)C[N@H+]1CCc2c(nnn2CC)[C@@H]1COCc1ccccc1 ZINC001252595427 1039605767 /nfs/dbraw/zinc/60/57/67/1039605767.db2.gz HPIZXOHSCJSGBZ-ICSRJNTNSA-N 1 2 370.497 2.741 20 30 FFEDLO C=CCC[C@H](O)C[N@@H+]1CCc2c(nnn2CC)[C@@H]1COCc1ccccc1 ZINC001252595427 1039605776 /nfs/dbraw/zinc/60/57/76/1039605776.db2.gz HPIZXOHSCJSGBZ-ICSRJNTNSA-N 1 2 370.497 2.741 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)cc1 ZINC001210994187 1039888112 /nfs/dbraw/zinc/88/81/12/1039888112.db2.gz FTMVGXFDTAAQQR-OALUTQOASA-N 1 2 358.438 2.531 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)cc1 ZINC001210994187 1039888130 /nfs/dbraw/zinc/88/81/30/1039888130.db2.gz FTMVGXFDTAAQQR-OALUTQOASA-N 1 2 358.438 2.531 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C)c1ccccc1 ZINC001211224496 1040009159 /nfs/dbraw/zinc/00/91/59/1040009159.db2.gz QFIRECKTQCYWLX-FUHIMQAGSA-N 1 2 352.482 2.717 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C)c1ccccc1 ZINC001211224496 1040009178 /nfs/dbraw/zinc/00/91/78/1040009178.db2.gz QFIRECKTQCYWLX-FUHIMQAGSA-N 1 2 352.482 2.717 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C(CC)CC)n2)C[C@H]1C ZINC001211425411 1040181643 /nfs/dbraw/zinc/18/16/43/1040181643.db2.gz MGZANQQKBJGOQI-JTDSTZFVSA-N 1 2 362.518 2.772 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(CC)CC)n2)C[C@H]1C ZINC001211425411 1040181652 /nfs/dbraw/zinc/18/16/52/1040181652.db2.gz MGZANQQKBJGOQI-JTDSTZFVSA-N 1 2 362.518 2.772 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](C[C@@H](O)CCCCC)Cc2nnn(CC3CC3)c21 ZINC001253529382 1040221724 /nfs/dbraw/zinc/22/17/24/1040221724.db2.gz RFWDJVGDDIGUAU-MSOLQXFVSA-N 1 2 362.518 2.731 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](C[C@@H](O)CCCCC)Cc2nnn(CC3CC3)c21 ZINC001253529382 1040221737 /nfs/dbraw/zinc/22/17/37/1040221737.db2.gz RFWDJVGDDIGUAU-MSOLQXFVSA-N 1 2 362.518 2.731 20 30 FFEDLO C#CCOCC[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC001253749876 1040353101 /nfs/dbraw/zinc/35/31/01/1040353101.db2.gz NGYRWJCRVDRPDC-MRXNPFEDSA-N 1 2 371.462 2.600 20 30 FFEDLO C#CCOCC[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC001253749876 1040353125 /nfs/dbraw/zinc/35/31/25/1040353125.db2.gz NGYRWJCRVDRPDC-MRXNPFEDSA-N 1 2 371.462 2.600 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)CC(C)=C(C)C ZINC001213285473 1040409153 /nfs/dbraw/zinc/40/91/53/1040409153.db2.gz STOHYMOGULSCIC-RTBURBONSA-N 1 2 359.445 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)CC(C)=C(C)C ZINC001213285473 1040409168 /nfs/dbraw/zinc/40/91/68/1040409168.db2.gz STOHYMOGULSCIC-RTBURBONSA-N 1 2 359.445 2.759 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)CCCC1CC1 ZINC001213305763 1040428153 /nfs/dbraw/zinc/42/81/53/1040428153.db2.gz QMJUBXZIQDKNNZ-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)CCCC1CC1 ZINC001213305763 1040428159 /nfs/dbraw/zinc/42/81/59/1040428159.db2.gz QMJUBXZIQDKNNZ-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(F)c2)C[C@H]1OC ZINC001213319730 1040443361 /nfs/dbraw/zinc/44/33/61/1040443361.db2.gz AJXXURMMVKIFHY-POZUXBRTSA-N 1 2 364.461 2.752 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)C[C@H]1OC ZINC001213319730 1040443364 /nfs/dbraw/zinc/44/33/64/1040443364.db2.gz AJXXURMMVKIFHY-POZUXBRTSA-N 1 2 364.461 2.752 20 30 FFEDLO C=CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260207583 1040462569 /nfs/dbraw/zinc/46/25/69/1040462569.db2.gz XSSGBZSIYNQBTD-JTQLQIEISA-N 1 2 350.818 2.547 20 30 FFEDLO C=CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260207583 1040462575 /nfs/dbraw/zinc/46/25/75/1040462575.db2.gz XSSGBZSIYNQBTD-JTQLQIEISA-N 1 2 350.818 2.547 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C4CC4)no3)C[C@H]2OC)CC1 ZINC001213394981 1040506890 /nfs/dbraw/zinc/50/68/90/1040506890.db2.gz HRCBVVLONHJMGU-QZTJIDSGSA-N 1 2 359.470 2.614 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3cc(C4CC4)no3)C[C@H]2OC)CC1 ZINC001213394981 1040506910 /nfs/dbraw/zinc/50/69/10/1040506910.db2.gz HRCBVVLONHJMGU-QZTJIDSGSA-N 1 2 359.470 2.614 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2cnn3ccc(C#N)cc23)Cc2nn(CC)cc21 ZINC001249093226 1040577431 /nfs/dbraw/zinc/57/74/31/1040577431.db2.gz PFPQIWPJMKHFPN-KRWDZBQOSA-N 1 2 364.453 2.558 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2cnn3ccc(C#N)cc23)Cc2nn(CC)cc21 ZINC001249093226 1040577437 /nfs/dbraw/zinc/57/74/37/1040577437.db2.gz PFPQIWPJMKHFPN-KRWDZBQOSA-N 1 2 364.453 2.558 20 30 FFEDLO N#Cc1cccc(O)c1Nc1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001213487694 1040602882 /nfs/dbraw/zinc/60/28/82/1040602882.db2.gz VWQCAASJZXNBAN-UHFFFAOYSA-N 1 2 357.385 2.858 20 30 FFEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H]1C(C)(C)C ZINC001213630790 1040737576 /nfs/dbraw/zinc/73/75/76/1040737576.db2.gz MKGFMUXMHZUAMB-HNNXBMFYSA-N 1 2 355.891 2.562 20 30 FFEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H]1C(C)(C)C ZINC001213630790 1040737591 /nfs/dbraw/zinc/73/75/91/1040737591.db2.gz MKGFMUXMHZUAMB-HNNXBMFYSA-N 1 2 355.891 2.562 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H](C)CC(C)C ZINC001213633634 1040740895 /nfs/dbraw/zinc/74/08/95/1040740895.db2.gz IJKJOGKHRMNXHJ-PWIZWCRZSA-N 1 2 360.473 2.675 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H](C)CC(C)C ZINC001213633634 1040740911 /nfs/dbraw/zinc/74/09/11/1040740911.db2.gz IJKJOGKHRMNXHJ-PWIZWCRZSA-N 1 2 360.473 2.675 20 30 FFEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ncc(C(=O)OC)s1)C2 ZINC001249463537 1040779834 /nfs/dbraw/zinc/77/98/34/1040779834.db2.gz MXLSGYNIXRPABS-MAUKXSAKSA-N 1 2 366.483 2.503 20 30 FFEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ncc(C(=O)OC)s1)C2 ZINC001249463537 1040779844 /nfs/dbraw/zinc/77/98/44/1040779844.db2.gz MXLSGYNIXRPABS-MAUKXSAKSA-N 1 2 366.483 2.503 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1OC)c1ccccc1 ZINC001213896245 1041039899 /nfs/dbraw/zinc/03/98/99/1041039899.db2.gz YLWLFRCHZFXQTE-IPMKNSEASA-N 1 2 371.506 2.818 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1OC)c1ccccc1 ZINC001213896245 1041039906 /nfs/dbraw/zinc/03/99/06/1041039906.db2.gz YLWLFRCHZFXQTE-IPMKNSEASA-N 1 2 371.506 2.818 20 30 FFEDLO C#CCOc1ccc(-c2nc3cc(C(=O)N4CC[NH+](C)CC4)ccc3[nH]2)cc1 ZINC001250704971 1041312370 /nfs/dbraw/zinc/31/23/70/1041312370.db2.gz MKTHTBSEVGGJJK-UHFFFAOYSA-N 1 2 374.444 2.630 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@]34C[C@@H]3CCCC4)CC2)cc1 ZINC001255449702 1041344537 /nfs/dbraw/zinc/34/45/37/1041344537.db2.gz VGBGKQWTWUYZLA-PZJWPPBQSA-N 1 2 352.482 2.966 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2noc(-c3ccccc3)n2)C1 ZINC001215357964 1041753955 /nfs/dbraw/zinc/75/39/55/1041753955.db2.gz NQXWMZMJCJPGGL-SJLPKXTDSA-N 1 2 366.465 2.867 20 30 FFEDLO CCO[C@H]1C[C@H](N(C)c2nnc(C3CC[NH+](CCC#N)CC3)n2C)C1(C)C ZINC001262873533 1041918759 /nfs/dbraw/zinc/91/87/59/1041918759.db2.gz LENMAPNQLYCOGQ-IRXDYDNUSA-N 1 2 374.533 2.548 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC(c2ccsc2)CC1 ZINC001262947214 1041982086 /nfs/dbraw/zinc/98/20/86/1041982086.db2.gz HOAULOUIWZIPMG-DLBZAZTESA-N 1 2 373.526 2.647 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC(c2ccsc2)CC1 ZINC001262947214 1041982089 /nfs/dbraw/zinc/98/20/89/1041982089.db2.gz HOAULOUIWZIPMG-DLBZAZTESA-N 1 2 373.526 2.647 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2cccs2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001262987754 1042011993 /nfs/dbraw/zinc/01/19/93/1042011993.db2.gz GCRPIWCAFIDXDK-GLJUWKHASA-N 1 2 361.515 2.635 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2cccs2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001262987754 1042012001 /nfs/dbraw/zinc/01/20/01/1042012001.db2.gz GCRPIWCAFIDXDK-GLJUWKHASA-N 1 2 361.515 2.635 20 30 FFEDLO C=C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CC)no2)C1)c1ccccc1 ZINC001216815732 1042134073 /nfs/dbraw/zinc/13/40/73/1042134073.db2.gz RGQZKROPFASSIF-SOLBZPMBSA-N 1 2 368.481 2.928 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@](C)(C(F)F)C1 ZINC001263341629 1042250891 /nfs/dbraw/zinc/25/08/91/1042250891.db2.gz UAIQPUVMNDQKQG-KSSFIOAISA-N 1 2 369.460 2.871 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@](C)(C(F)F)C1 ZINC001263341629 1042250894 /nfs/dbraw/zinc/25/08/94/1042250894.db2.gz UAIQPUVMNDQKQG-KSSFIOAISA-N 1 2 369.460 2.871 20 30 FFEDLO C#CCCCc1nnc(N2CCc3cc[nH+]c(N(C)C)c3C2)n1CC(C)C ZINC001263388733 1042274346 /nfs/dbraw/zinc/27/43/46/1042274346.db2.gz BBJZULOPECBXAS-UHFFFAOYSA-N 1 2 366.513 2.914 20 30 FFEDLO C=C1CCN(c2nnc(Cc3[nH+]ccn3C)n2Cc2cccs2)CC1 ZINC001263488509 1042339623 /nfs/dbraw/zinc/33/96/23/1042339623.db2.gz NBOVTLKAADJIPN-UHFFFAOYSA-N 1 2 354.483 2.869 20 30 FFEDLO Cc1nc([C@@H](C)[NH2+]CCC[C@@H]2[C@H](C)CCCN2C(=O)C#CC2CC2)no1 ZINC001264018067 1042584546 /nfs/dbraw/zinc/58/45/46/1042584546.db2.gz VQRXHSOMAFSFGX-IIDMSEBBSA-N 1 2 358.486 2.849 20 30 FFEDLO C#CCCCCCC(=O)N[C@H]1CC[N@H+](Cc2nnc(-c3ccco3)o2)[C@@H]1C ZINC001264155813 1042641987 /nfs/dbraw/zinc/64/19/87/1042641987.db2.gz AJKUMGXNOVOQQR-CVEARBPZSA-N 1 2 370.453 2.992 20 30 FFEDLO C#CCCCCCC(=O)N[C@H]1CC[N@@H+](Cc2nnc(-c3ccco3)o2)[C@@H]1C ZINC001264155813 1042641990 /nfs/dbraw/zinc/64/19/90/1042641990.db2.gz AJKUMGXNOVOQQR-CVEARBPZSA-N 1 2 370.453 2.992 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1c1ccccc1 ZINC001264445659 1042674073 /nfs/dbraw/zinc/67/40/73/1042674073.db2.gz PSWIKLSJICCLNV-ZWKOTPCHSA-N 1 2 367.497 2.502 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1c1ccccc1 ZINC001264445659 1042674078 /nfs/dbraw/zinc/67/40/78/1042674078.db2.gz PSWIKLSJICCLNV-ZWKOTPCHSA-N 1 2 367.497 2.502 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nncn2C)C[C@H]1c1ccccc1 ZINC001264446898 1042674677 /nfs/dbraw/zinc/67/46/77/1042674677.db2.gz PMEAAHVOUUXWJS-BPQIPLTHSA-N 1 2 367.497 2.673 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2nncn2C)C[C@H]1c1ccccc1 ZINC001264446898 1042674680 /nfs/dbraw/zinc/67/46/80/1042674680.db2.gz PMEAAHVOUUXWJS-BPQIPLTHSA-N 1 2 367.497 2.673 20 30 FFEDLO C=C[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2noc(CC)n2)C1)c1ccccc1 ZINC001264492462 1042696276 /nfs/dbraw/zinc/69/62/76/1042696276.db2.gz RTVNIMCCZJSSPY-CGTJXYLNSA-N 1 2 368.481 2.976 20 30 FFEDLO C=CCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C4CCCC4)no3)CC[C@@H]2C1 ZINC001264639860 1042762719 /nfs/dbraw/zinc/76/27/19/1042762719.db2.gz ARRWVYCSVXXYNQ-SJORKVTESA-N 1 2 358.486 2.974 20 30 FFEDLO C=CCCC(=O)N1C[C@@H]2C[N@H+](Cc3nc(C4CCCC4)no3)CC[C@@H]2C1 ZINC001264639860 1042762723 /nfs/dbraw/zinc/76/27/23/1042762723.db2.gz ARRWVYCSVXXYNQ-SJORKVTESA-N 1 2 358.486 2.974 20 30 FFEDLO C=CCOc1cccc(C[NH+]2CC3(CCN3Cc3cc(C)nn3C)C2)c1 ZINC001279299087 1042989676 /nfs/dbraw/zinc/98/96/76/1042989676.db2.gz RHEBLIZPRXGWAW-UHFFFAOYSA-N 1 2 352.482 2.754 20 30 FFEDLO N#Cc1cccc(CN2CC3(C2)C[NH+](Cc2cccc(=O)[nH]2)C3)c1Cl ZINC001279320378 1042998914 /nfs/dbraw/zinc/99/89/14/1042998914.db2.gz PCNGIXJMGSQMOY-UHFFFAOYSA-N 1 2 354.841 2.630 20 30 FFEDLO CCOC(=O)c1[nH]c2cc(C)ccc2c1C[NH+]1CCN(CCC#N)CC1 ZINC001237321022 1043108160 /nfs/dbraw/zinc/10/81/60/1043108160.db2.gz WGZIKGNNMGXKJP-UHFFFAOYSA-N 1 2 354.454 2.684 20 30 FFEDLO COc1cccc(OC2CC[NH+](Cc3cn4cc(C#N)ccc4n3)CC2)n1 ZINC001237610528 1043269367 /nfs/dbraw/zinc/26/93/67/1043269367.db2.gz KOLWONZDHQZBDE-UHFFFAOYSA-N 1 2 363.421 2.653 20 30 FFEDLO N#Cc1ccc2nc(C[NH+]3CCC(Oc4cc(Cl)ncn4)CC3)cn2c1 ZINC001237613896 1043272169 /nfs/dbraw/zinc/27/21/69/1043272169.db2.gz KLYQLRGAAPCNPZ-UHFFFAOYSA-N 1 2 368.828 2.693 20 30 FFEDLO C=CCCCC[N@H+]1Cc2ccnn2CC[C@H]1C(=O)N1CC(F)(C2CC2)C1 ZINC001279720610 1043527305 /nfs/dbraw/zinc/52/73/05/1043527305.db2.gz DPOWMYJILJFCMF-SFHVURJKSA-N 1 2 360.477 2.774 20 30 FFEDLO C=CCCCC[N@@H+]1Cc2ccnn2CC[C@H]1C(=O)N1CC(F)(C2CC2)C1 ZINC001279720610 1043527311 /nfs/dbraw/zinc/52/73/11/1043527311.db2.gz DPOWMYJILJFCMF-SFHVURJKSA-N 1 2 360.477 2.774 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@H]2CN(Cc3cccc(C#N)c3F)C[C@@H](C1)O2 ZINC001279762225 1043603166 /nfs/dbraw/zinc/60/31/66/1043603166.db2.gz GEDOKBDJZXFALJ-CALCHBBNSA-N 1 2 372.469 2.548 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CN(Cc3cccc(C#N)c3F)C[C@@H](C1)O2 ZINC001279762225 1043603170 /nfs/dbraw/zinc/60/31/70/1043603170.db2.gz GEDOKBDJZXFALJ-CALCHBBNSA-N 1 2 372.469 2.548 20 30 FFEDLO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCc2ccc[nH+]c2N)n1 ZINC001310469608 1043693499 /nfs/dbraw/zinc/69/34/99/1043693499.db2.gz FJNYFOPZIVWJBU-UHFFFAOYSA-N 1 2 367.800 2.696 20 30 FFEDLO C=CCCCCCCC[N@@H+]1CCc2c([nH]nc2C(=O)NCC2COC2)C1 ZINC001279834221 1043741931 /nfs/dbraw/zinc/74/19/31/1043741931.db2.gz MSPTUZSALFOPDR-UHFFFAOYSA-N 1 2 360.502 2.671 20 30 FFEDLO C=CCCCCCCC[N@H+]1CCc2c([nH]nc2C(=O)NCC2COC2)C1 ZINC001279834221 1043741944 /nfs/dbraw/zinc/74/19/44/1043741944.db2.gz MSPTUZSALFOPDR-UHFFFAOYSA-N 1 2 360.502 2.671 20 30 FFEDLO CCCCCCCCC[N@@H+]1CCc2c([nH]nc2C(=O)NCC2COC2)C1 ZINC001279872329 1043815492 /nfs/dbraw/zinc/81/54/92/1043815492.db2.gz QYGNJFWXWIDSRM-UHFFFAOYSA-N 1 2 362.518 2.895 20 30 FFEDLO CCCCCCCCC[N@H+]1CCc2c([nH]nc2C(=O)NCC2COC2)C1 ZINC001279872329 1043815516 /nfs/dbraw/zinc/81/55/16/1043815516.db2.gz QYGNJFWXWIDSRM-UHFFFAOYSA-N 1 2 362.518 2.895 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCc3nc(C(=O)N4CC(CC#N)C4)ccc3C2)o1 ZINC001279937462 1043950885 /nfs/dbraw/zinc/95/08/85/1043950885.db2.gz CZTGRQGQMALQJK-UHFFFAOYSA-N 1 2 350.422 2.527 20 30 FFEDLO Cc1ccc(C[N@H+]2CCc3nc(C(=O)N4CC(CC#N)C4)ccc3C2)o1 ZINC001279937462 1043950895 /nfs/dbraw/zinc/95/08/95/1043950895.db2.gz CZTGRQGQMALQJK-UHFFFAOYSA-N 1 2 350.422 2.527 20 30 FFEDLO Cc1ccc(C#N)c(NC(=O)[C@@H]2CC23C[NH+](Cc2ccc(F)nc2)C3)c1 ZINC001279983864 1044036712 /nfs/dbraw/zinc/03/67/12/1044036712.db2.gz UIQYTEBWMNJRCT-INIZCTEOSA-N 1 2 350.397 2.861 20 30 FFEDLO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)NC2(C#N)CCC2)c(Cl)c1 ZINC001280042003 1044125239 /nfs/dbraw/zinc/12/52/39/1044125239.db2.gz CTJDJQFBVGRRKQ-QRWLVFNGSA-N 1 2 372.900 2.933 20 30 FFEDLO CN(C)c1ccc(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)NC2(C#N)CCC2)c(Cl)c1 ZINC001280042003 1044125243 /nfs/dbraw/zinc/12/52/43/1044125243.db2.gz CTJDJQFBVGRRKQ-QRWLVFNGSA-N 1 2 372.900 2.933 20 30 FFEDLO CC(C)(C)NC(=O)[C@H]1CCC2(C[NH+](CCCc3ccc(C#N)cc3)C2)O1 ZINC001280058867 1044149841 /nfs/dbraw/zinc/14/98/41/1044149841.db2.gz WEGZTBBTLGFRMM-GOSISDBHSA-N 1 2 355.482 2.639 20 30 FFEDLO N#Cc1ccccc1OCC[NH+]1CC2(CN(CCCC(F)(F)F)C2)C1 ZINC001280060504 1044150655 /nfs/dbraw/zinc/15/06/55/1044150655.db2.gz PNXSLIYZKSTACF-UHFFFAOYSA-N 1 2 353.388 2.897 20 30 FFEDLO C#CCN(C)c1nnc(CC(C)(C)C)n1CCc1cn2ccccc2[nH+]1 ZINC001539182691 1070581643 /nfs/dbraw/zinc/58/16/43/1070581643.db2.gz ILJYQYKPNRQSIW-UHFFFAOYSA-N 1 2 350.470 2.827 20 30 FFEDLO C#CCN(C)c1nnc(CC2CC2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001539186145 1070582991 /nfs/dbraw/zinc/58/29/91/1070582991.db2.gz DHHCGIOQFPCRCH-UHFFFAOYSA-N 1 2 360.465 2.593 20 30 FFEDLO Cc1conc1C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001316718732 1044575833 /nfs/dbraw/zinc/57/58/33/1044575833.db2.gz BWGRHSHODLSFHE-POZUXBRTSA-N 1 2 352.438 2.617 20 30 FFEDLO Cc1conc1C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001316718732 1044575848 /nfs/dbraw/zinc/57/58/48/1044575848.db2.gz BWGRHSHODLSFHE-POZUXBRTSA-N 1 2 352.438 2.617 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)Oc4ccc(Cl)cc4)C3)C2)cc1C#N ZINC001280345638 1044634282 /nfs/dbraw/zinc/63/42/82/1044634282.db2.gz HQJIYNDCAKWDMS-UHFFFAOYSA-N 1 2 370.840 2.867 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001318569076 1044753360 /nfs/dbraw/zinc/75/33/60/1044753360.db2.gz OSNVRHLMWJCMDX-FQEVSTJZSA-N 1 2 363.461 2.765 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001318569076 1044753371 /nfs/dbraw/zinc/75/33/71/1044753371.db2.gz OSNVRHLMWJCMDX-FQEVSTJZSA-N 1 2 363.461 2.765 20 30 FFEDLO C#CCN(CC#C)c1nnc(C2CCCC2)n1CCCNc1cccc[nH+]1 ZINC001539263547 1070600340 /nfs/dbraw/zinc/60/03/40/1070600340.db2.gz LDQNYVZXHRFNFR-UHFFFAOYSA-N 1 2 362.481 2.906 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)CCC3)[C@@H]1C ZINC001316787248 1044968992 /nfs/dbraw/zinc/96/89/92/1044968992.db2.gz GBPTZYZQVBTNTJ-BEFAXECRSA-N 1 2 369.509 2.905 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)CCC3)[C@@H]1C ZINC001316787248 1044969003 /nfs/dbraw/zinc/96/90/03/1044969003.db2.gz GBPTZYZQVBTNTJ-BEFAXECRSA-N 1 2 369.509 2.905 20 30 FFEDLO N#Cc1cc2nc(-c3ccc(OCC[NH+]4CCOCC4)cc3F)ccc2[nH]1 ZINC001244136593 1045087276 /nfs/dbraw/zinc/08/72/76/1045087276.db2.gz UJCLFVOWVPVTOT-UHFFFAOYSA-N 1 2 366.396 2.952 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001281764853 1045092868 /nfs/dbraw/zinc/09/28/68/1045092868.db2.gz LMIRMKLDWHVZGI-CXAGYDPISA-N 1 2 354.454 2.742 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CCCOCCC(C)C)CC1 ZINC001539430088 1070636934 /nfs/dbraw/zinc/63/69/34/1070636934.db2.gz HAGMQGDURCZKPM-UHFFFAOYSA-N 1 2 361.534 2.610 20 30 FFEDLO N#Cc1cc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cs1 ZINC001324473814 1046050388 /nfs/dbraw/zinc/05/03/88/1046050388.db2.gz DCLQTEPLRFGIJZ-UHFFFAOYSA-N 1 2 374.897 2.825 20 30 FFEDLO CN(C)S(=O)(=O)c1ccc(N[NH+]=Cc2ccc(N3CCCC3)cc2)cc1 ZINC001324676950 1046161429 /nfs/dbraw/zinc/16/14/29/1046161429.db2.gz PMXXVWFGDNLDTB-UHFFFAOYSA-N 1 2 372.494 2.983 20 30 FFEDLO N#Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)c(F)c1 ZINC001322665842 1046172147 /nfs/dbraw/zinc/17/21/47/1046172147.db2.gz OUOYTOVYJBAWGJ-LJQANCHMSA-N 1 2 352.413 2.763 20 30 FFEDLO N#Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)c(F)c1 ZINC001322665842 1046172154 /nfs/dbraw/zinc/17/21/54/1046172154.db2.gz OUOYTOVYJBAWGJ-LJQANCHMSA-N 1 2 352.413 2.763 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001282813820 1046248796 /nfs/dbraw/zinc/24/87/96/1046248796.db2.gz QSNVLHBIIRRJDB-WWMYMODYSA-N 1 2 370.497 2.688 20 30 FFEDLO CN(C)C(=O)COc1ccc(C(=O)/C=C\c2ccc[nH+]c2N(C)C)cc1 ZINC001323086707 1046340181 /nfs/dbraw/zinc/34/01/81/1046340181.db2.gz HNQZKLDSDJSRAO-XFXZXTDPSA-N 1 2 353.422 2.511 20 30 FFEDLO CCOc1ccc(N2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 ZINC001323178490 1046373623 /nfs/dbraw/zinc/37/36/23/1046373623.db2.gz WJEFIHXZIILHLX-DYESRHJHSA-N 1 2 372.513 2.650 20 30 FFEDLO C=CCC1(C(=O)N2CCC[C@@H](N(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCC1 ZINC001284408865 1046533902 /nfs/dbraw/zinc/53/39/02/1046533902.db2.gz DHNAPELXBFONKX-BRWVUGGUSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCC1(C(=O)N2CCC[C@@H](N(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCC1 ZINC001284408865 1046533906 /nfs/dbraw/zinc/53/39/06/1046533906.db2.gz DHNAPELXBFONKX-BRWVUGGUSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C(C)CCC(=O)N(C)CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001284819951 1046660227 /nfs/dbraw/zinc/66/02/27/1046660227.db2.gz JZUWYFLMJXYGJJ-QZTJIDSGSA-N 1 2 363.546 2.628 20 30 FFEDLO C=CCCC1(C(=O)N2CC[C@H](N(CC)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001285020425 1046688120 /nfs/dbraw/zinc/68/81/20/1046688120.db2.gz SJEWVHWRIJNKRR-GVDBMIGSSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCCC1(C(=O)N2CC[C@H](N(CC)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001285020425 1046688129 /nfs/dbraw/zinc/68/81/29/1046688129.db2.gz SJEWVHWRIJNKRR-GVDBMIGSSA-N 1 2 370.497 2.709 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC2CC2)CC1 ZINC001286474603 1047120859 /nfs/dbraw/zinc/12/08/59/1047120859.db2.gz NKZZMVSTFSFZDR-UHFFFAOYSA-N 1 2 365.481 2.509 20 30 FFEDLO C=C1CCN(c2nnc(C3CCCC3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001286646147 1047147584 /nfs/dbraw/zinc/14/75/84/1047147584.db2.gz LSTIGLBCWADYRG-KRWDZBQOSA-N 1 2 359.518 2.813 20 30 FFEDLO C=CCN(C)c1nnc(-c2cccn2C)n1CCc1cn2ccccc2[nH+]1 ZINC001286720410 1047161454 /nfs/dbraw/zinc/16/14/54/1047161454.db2.gz JPNZGEQFKRZXLM-UHFFFAOYSA-N 1 2 361.453 2.796 20 30 FFEDLO C=CCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001289887949 1047777485 /nfs/dbraw/zinc/77/74/85/1047777485.db2.gz HWEJESQPJHIMHC-RTBURBONSA-N 1 2 366.465 2.996 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(I)c1C ZINC001332084374 1048238929 /nfs/dbraw/zinc/23/89/29/1048238929.db2.gz ZRWGUSPGXHPYEY-AWEZNQCLSA-N 1 2 368.218 2.636 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(I)c1C ZINC001332084374 1048238932 /nfs/dbraw/zinc/23/89/32/1048238932.db2.gz ZRWGUSPGXHPYEY-AWEZNQCLSA-N 1 2 368.218 2.636 20 30 FFEDLO O=C(/C=C/C[NH+]1CCOCC1)Nc1cccc(C#Cc2cccs2)c1 ZINC001540721531 1070977712 /nfs/dbraw/zinc/97/77/12/1070977712.db2.gz HRPOSIBZRMAUDR-FARCUNLSSA-N 1 2 352.459 2.975 20 30 FFEDLO O=C(/C=C\C[NH+]1CCOCC1)Nc1cccc(C#Cc2cccs2)c1 ZINC001540721532 1070978296 /nfs/dbraw/zinc/97/82/96/1070978296.db2.gz HRPOSIBZRMAUDR-UQCOIBPSSA-N 1 2 352.459 2.975 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001291958248 1049017763 /nfs/dbraw/zinc/01/77/63/1049017763.db2.gz BSAIJGOAYOHPOD-NCOADZHNSA-N 1 2 358.486 2.685 20 30 FFEDLO N#Cc1ccc(CCOC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001330199739 1049079554 /nfs/dbraw/zinc/07/95/54/1049079554.db2.gz QDPFBLBAERXZNV-OAQYLSRUSA-N 1 2 364.445 2.935 20 30 FFEDLO N#Cc1ccc(CCOC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001330199739 1049079566 /nfs/dbraw/zinc/07/95/66/1049079566.db2.gz QDPFBLBAERXZNV-OAQYLSRUSA-N 1 2 364.445 2.935 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)c(Br)ccc2F)CC1 ZINC001292439861 1049344614 /nfs/dbraw/zinc/34/46/14/1049344614.db2.gz LZPYUTXPPVSTNF-UHFFFAOYSA-N 1 2 353.235 2.678 20 30 FFEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001292717111 1049382472 /nfs/dbraw/zinc/38/24/72/1049382472.db2.gz NMPCZKCZGSHWNH-MRXNPFEDSA-N 1 2 365.437 2.796 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001297531895 1050208564 /nfs/dbraw/zinc/20/85/64/1050208564.db2.gz OOBRWJYFJJYKAO-ARFHVFGLSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001297531895 1050208575 /nfs/dbraw/zinc/20/85/75/1050208575.db2.gz OOBRWJYFJJYKAO-ARFHVFGLSA-N 1 2 358.486 2.661 20 30 FFEDLO Cn1c(CC(C)(C)C#N)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001341721981 1050342375 /nfs/dbraw/zinc/34/23/75/1050342375.db2.gz CQZWYOYUWKOWMT-UHFFFAOYSA-N 1 2 372.904 2.883 20 30 FFEDLO C=CCn1c(Nc2ccc(OC)cc2)nnc1[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001340204208 1050612179 /nfs/dbraw/zinc/61/21/79/1050612179.db2.gz CGTNXBZQTSXTOF-KRWDZBQOSA-N 1 2 357.458 2.998 20 30 FFEDLO C=CCn1c(Nc2ccc(OC)cc2)nnc1[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001340204208 1050612180 /nfs/dbraw/zinc/61/21/80/1050612180.db2.gz CGTNXBZQTSXTOF-KRWDZBQOSA-N 1 2 357.458 2.998 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001342100561 1050694739 /nfs/dbraw/zinc/69/47/39/1050694739.db2.gz SQVPPQUWYAYCDK-GOSISDBHSA-N 1 2 359.518 2.703 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC001340389704 1050784918 /nfs/dbraw/zinc/78/49/18/1050784918.db2.gz IEZQUTRLWQAFOI-NXOAAHMSSA-N 1 2 359.518 2.607 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC001340389704 1050784935 /nfs/dbraw/zinc/78/49/35/1050784935.db2.gz IEZQUTRLWQAFOI-NXOAAHMSSA-N 1 2 359.518 2.607 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H](O)c3ccc(C#N)cc3)n2)C1 ZINC001542203682 1071189146 /nfs/dbraw/zinc/18/91/46/1071189146.db2.gz OTXFJRNUKUFYGC-DYVFJYSZSA-N 1 2 370.478 2.919 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H](O)c3ccc(C#N)cc3)n2)C1 ZINC001542203682 1071189150 /nfs/dbraw/zinc/18/91/50/1071189150.db2.gz OTXFJRNUKUFYGC-DYVFJYSZSA-N 1 2 370.478 2.919 20 30 FFEDLO C=CCn1c(N2CCCC[C@@H]2CC2CCC2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001340700140 1051065266 /nfs/dbraw/zinc/06/52/66/1051065266.db2.gz BNTVLERIEQOFSJ-LVCYWYKZSA-N 1 2 373.545 2.925 20 30 FFEDLO C=CCn1c(N2CCCC[C@@H]2CC2CCC2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001340700140 1051065275 /nfs/dbraw/zinc/06/52/75/1051065275.db2.gz BNTVLERIEQOFSJ-LVCYWYKZSA-N 1 2 373.545 2.925 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001341077277 1051420737 /nfs/dbraw/zinc/42/07/37/1051420737.db2.gz DUPOMTWGLYSQDX-KBXCAEBGSA-N 1 2 366.465 2.838 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2ccc(F)cc2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001343286200 1052135606 /nfs/dbraw/zinc/13/56/06/1052135606.db2.gz FLPMAEQEQAWVQX-XLIONFOSSA-N 1 2 373.476 2.541 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2ccc(F)cc2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001343286200 1052135611 /nfs/dbraw/zinc/13/56/11/1052135611.db2.gz FLPMAEQEQAWVQX-XLIONFOSSA-N 1 2 373.476 2.541 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC001343457013 1052244118 /nfs/dbraw/zinc/24/41/18/1052244118.db2.gz KWNOYWYNHRDNTM-INIZCTEOSA-N 1 2 371.485 2.972 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC001343457013 1052244123 /nfs/dbraw/zinc/24/41/23/1052244123.db2.gz KWNOYWYNHRDNTM-INIZCTEOSA-N 1 2 371.485 2.972 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CCC#N)CC1CC1 ZINC001343470484 1052252319 /nfs/dbraw/zinc/25/23/19/1052252319.db2.gz ULCOSGJNSPIQLJ-SFHVURJKSA-N 1 2 374.533 2.846 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(CCC#N)CC1CC1 ZINC001343470484 1052252322 /nfs/dbraw/zinc/25/23/22/1052252322.db2.gz ULCOSGJNSPIQLJ-SFHVURJKSA-N 1 2 374.533 2.846 20 30 FFEDLO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001308011970 1052383381 /nfs/dbraw/zinc/38/33/81/1052383381.db2.gz UWPOQPKMWCPUDT-PXNSSMCTSA-N 1 2 354.498 2.717 20 30 FFEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1C(N)=O)[C@@H]1CCCc2ccccc21 ZINC001308103679 1052407178 /nfs/dbraw/zinc/40/71/78/1052407178.db2.gz KAJLYLLUTSHQDH-HXUWFJFHSA-N 1 2 361.445 2.737 20 30 FFEDLO C#CC[N@H+](CC(=O)Nc1ccccc1C(N)=O)[C@@H]1CCCc2ccccc21 ZINC001308103679 1052407182 /nfs/dbraw/zinc/40/71/82/1052407182.db2.gz KAJLYLLUTSHQDH-HXUWFJFHSA-N 1 2 361.445 2.737 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccco3)n2CCc2ccccc2)CC1 ZINC001343763037 1052407228 /nfs/dbraw/zinc/40/72/28/1052407228.db2.gz FBBJCKNQWFHTSK-UHFFFAOYSA-N 1 2 361.449 2.536 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC(F)(F)C1 ZINC001343946840 1052504934 /nfs/dbraw/zinc/50/49/34/1052504934.db2.gz DOXVYFGUWLPSRE-GJZGRUSLSA-N 1 2 367.444 2.625 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC(F)(F)C1 ZINC001343946840 1052504938 /nfs/dbraw/zinc/50/49/38/1052504938.db2.gz DOXVYFGUWLPSRE-GJZGRUSLSA-N 1 2 367.444 2.625 20 30 FFEDLO C[C@H](c1cccc(NC(=O)NCC2(C#N)CCOCC2)c1)[NH+]1CCOCC1 ZINC001345829820 1052632397 /nfs/dbraw/zinc/63/23/97/1052632397.db2.gz MGCXXDNOBICDDR-MRXNPFEDSA-N 1 2 372.469 2.522 20 30 FFEDLO C=C(C)CCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001344533697 1052822089 /nfs/dbraw/zinc/82/20/89/1052822089.db2.gz ZPVNRYPKHNORCF-MSOLQXFVSA-N 1 2 360.502 2.763 20 30 FFEDLO CC[C@@H](C)[C@@H](OC)C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001346719719 1053256532 /nfs/dbraw/zinc/25/65/32/1053256532.db2.gz DBVMLCUWIVGBQA-CRAIPNDOSA-N 1 2 365.495 2.536 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N(CC(=C)C)Cc1ccccc1 ZINC001351604173 1054916444 /nfs/dbraw/zinc/91/64/44/1054916444.db2.gz LABPOTHEPKZKRQ-RBUKOAKNSA-N 1 2 367.497 2.784 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N(CC(=C)C)Cc1ccccc1 ZINC001351604173 1054916457 /nfs/dbraw/zinc/91/64/57/1054916457.db2.gz LABPOTHEPKZKRQ-RBUKOAKNSA-N 1 2 367.497 2.784 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)c1ccc(OC(C)C)cc1 ZINC001351605152 1054916692 /nfs/dbraw/zinc/91/66/92/1054916692.db2.gz QZVACXWATTWNSA-SJLPKXTDSA-N 1 2 371.485 2.757 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)c1ccc(OC(C)C)cc1 ZINC001351605152 1054916704 /nfs/dbraw/zinc/91/67/04/1054916704.db2.gz QZVACXWATTWNSA-SJLPKXTDSA-N 1 2 371.485 2.757 20 30 FFEDLO C[NH+]1CCN(CCCCNc2ccc(C#N)c(Br)c2F)CC1 ZINC001337807413 1055029446 /nfs/dbraw/zinc/02/94/46/1055029446.db2.gz JZBDGVMMESXRME-UHFFFAOYSA-N 1 2 369.282 2.899 20 30 FFEDLO C=CCn1c([C@H](O)C=C)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001352031438 1055137427 /nfs/dbraw/zinc/13/74/27/1055137427.db2.gz MKLDHIFUYZMGPL-QGZVFWFLSA-N 1 2 373.888 2.659 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](OC(C)C)C1 ZINC001356083442 1055274939 /nfs/dbraw/zinc/27/49/39/1055274939.db2.gz ZFYBWPFFJRULGT-GOSISDBHSA-N 1 2 372.517 2.561 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H](CC)[N@@H+]2CCO[C@H](CC)C2)c1 ZINC001543757358 1071540919 /nfs/dbraw/zinc/54/09/19/1071540919.db2.gz SVGARLMITHCZRA-QWFCFKBJSA-N 1 2 373.497 2.873 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H](CC)[N@H+]2CCO[C@H](CC)C2)c1 ZINC001543757358 1071540924 /nfs/dbraw/zinc/54/09/24/1071540924.db2.gz SVGARLMITHCZRA-QWFCFKBJSA-N 1 2 373.497 2.873 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1 ZINC001356685376 1055657140 /nfs/dbraw/zinc/65/71/40/1055657140.db2.gz PKXOVFZBMSHSGB-BRWVUGGUSA-N 1 2 366.465 2.699 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1 ZINC001356685376 1055657147 /nfs/dbraw/zinc/65/71/47/1055657147.db2.gz PKXOVFZBMSHSGB-BRWVUGGUSA-N 1 2 366.465 2.699 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1 ZINC001356685377 1055657489 /nfs/dbraw/zinc/65/74/89/1055657489.db2.gz PKXOVFZBMSHSGB-ZACQAIPSSA-N 1 2 366.465 2.699 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1 ZINC001356685377 1055657493 /nfs/dbraw/zinc/65/74/93/1055657493.db2.gz PKXOVFZBMSHSGB-ZACQAIPSSA-N 1 2 366.465 2.699 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001338691093 1055735823 /nfs/dbraw/zinc/73/58/23/1055735823.db2.gz PWJFDBSAAFSMBV-FUHIMQAGSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001338691093 1055735830 /nfs/dbraw/zinc/73/58/30/1055735830.db2.gz PWJFDBSAAFSMBV-FUHIMQAGSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)[C@H](C)c1ccc(F)cc1 ZINC001338775123 1055802379 /nfs/dbraw/zinc/80/23/79/1055802379.db2.gz UYEQDQAXERRPPW-XYPHTWIQSA-N 1 2 359.449 2.538 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)[C@H](C)c1ccc(F)cc1 ZINC001338775123 1055802395 /nfs/dbraw/zinc/80/23/95/1055802395.db2.gz UYEQDQAXERRPPW-XYPHTWIQSA-N 1 2 359.449 2.538 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@H](c2nccs2)C1 ZINC001338926744 1055939977 /nfs/dbraw/zinc/93/99/77/1055939977.db2.gz ICYCZCSOGBAOMS-OAHLLOKOSA-N 1 2 358.515 2.900 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001350814039 1055953122 /nfs/dbraw/zinc/95/31/22/1055953122.db2.gz IFIITURPRVHCSO-UHFFFAOYSA-N 1 2 368.485 2.551 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC001544078626 1071592324 /nfs/dbraw/zinc/59/23/24/1071592324.db2.gz JYHCGJOPBGUCLR-UHFFFAOYSA-N 1 2 361.239 2.976 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC001544078626 1071592326 /nfs/dbraw/zinc/59/23/26/1071592326.db2.gz JYHCGJOPBGUCLR-UHFFFAOYSA-N 1 2 361.239 2.976 20 30 FFEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2ccc(Cl)c3ccccc32)CC1 ZINC001200214498 1056052845 /nfs/dbraw/zinc/05/28/45/1056052845.db2.gz WRBTZTBBPSOYJA-UHFFFAOYSA-N 1 2 363.870 2.759 20 30 FFEDLO COC1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC(C)C)CC1 ZINC001358088466 1056134382 /nfs/dbraw/zinc/13/43/82/1056134382.db2.gz NBGZGMUHQHIBHC-UHFFFAOYSA-N 1 2 374.533 2.642 20 30 FFEDLO C=CCn1c(N2CCCC3(CCCC3)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339198049 1056193125 /nfs/dbraw/zinc/19/31/25/1056193125.db2.gz UTBQNRBKKHLCEY-XLIONFOSSA-N 1 2 373.545 2.926 20 30 FFEDLO C=CCn1c(N2CCCC3(CCCC3)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339198049 1056193136 /nfs/dbraw/zinc/19/31/36/1056193136.db2.gz UTBQNRBKKHLCEY-XLIONFOSSA-N 1 2 373.545 2.926 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(Cc2[nH+]ccn2Cc2ccccc2)n1CC1CC1 ZINC001351333506 1056204234 /nfs/dbraw/zinc/20/42/34/1056204234.db2.gz CXEGPWXDFTWRRG-QGZVFWFLSA-N 1 2 374.492 2.982 20 30 FFEDLO CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC[N@@H+]2C)n1CC1CC1 ZINC001351502939 1056296227 /nfs/dbraw/zinc/29/62/27/1056296227.db2.gz YXRACUHLAQYFDW-SFHVURJKSA-N 1 2 350.470 2.963 20 30 FFEDLO CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC[N@H+]2C)n1CC1CC1 ZINC001351502939 1056296239 /nfs/dbraw/zinc/29/62/39/1056296239.db2.gz YXRACUHLAQYFDW-SFHVURJKSA-N 1 2 350.470 2.963 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)Cc1ccc(C)o1 ZINC001339476017 1056491889 /nfs/dbraw/zinc/49/18/89/1056491889.db2.gz RXUNUGDZCSYXHN-FUHWJXTLSA-N 1 2 371.485 2.928 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)Cc1ccc(C)o1 ZINC001339476017 1056491900 /nfs/dbraw/zinc/49/19/00/1056491900.db2.gz RXUNUGDZCSYXHN-FUHWJXTLSA-N 1 2 371.485 2.928 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC(c2ccon2)CC1 ZINC001339566101 1056589837 /nfs/dbraw/zinc/58/98/37/1056589837.db2.gz BWVIJYXVQOYGPE-UHFFFAOYSA-N 1 2 356.474 2.822 20 30 FFEDLO C#CCN(C)c1nnc(C2CC2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001358946818 1056616750 /nfs/dbraw/zinc/61/67/50/1056616750.db2.gz JRQGQCZDIQJWGX-UHFFFAOYSA-N 1 2 350.470 2.659 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc(C[NH+]2CCC(CO)CC2)n1CC=C ZINC001339606859 1056630624 /nfs/dbraw/zinc/63/06/24/1056630624.db2.gz NWLRBVKRTYXNKV-GOSISDBHSA-N 1 2 359.518 2.603 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2CCc2ccccc2F)CC1 ZINC001359035866 1056668726 /nfs/dbraw/zinc/66/87/26/1056668726.db2.gz HBAODNIKFFMTCX-UHFFFAOYSA-N 1 2 369.488 2.614 20 30 FFEDLO C=C1CCC(C(=O)NC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000937427511 1056707441 /nfs/dbraw/zinc/70/74/41/1056707441.db2.gz SLLSGAYTXUUROE-RCCFBDPRSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CCC(C(=O)NC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000937427511 1056707455 /nfs/dbraw/zinc/70/74/55/1056707455.db2.gz SLLSGAYTXUUROE-RCCFBDPRSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001513907243 1058660829 /nfs/dbraw/zinc/66/08/29/1058660829.db2.gz HGEUFZXIKCOZPZ-BHIYHBOVSA-N 1 2 370.497 2.662 20 30 FFEDLO C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1c[nH+]ccc1OC ZINC001300611760 1058997958 /nfs/dbraw/zinc/99/79/58/1058997958.db2.gz KGZXWVFHIOCICS-UHFFFAOYSA-N 1 2 372.432 2.728 20 30 FFEDLO C=CC1(CC(=O)NC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001503268994 1059002106 /nfs/dbraw/zinc/00/21/06/1059002106.db2.gz ZCUOISGBXFRTSW-ARFHVFGLSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CC1(CC(=O)NC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001503268994 1059002128 /nfs/dbraw/zinc/00/21/28/1059002128.db2.gz ZCUOISGBXFRTSW-ARFHVFGLSA-N 1 2 358.486 2.661 20 30 FFEDLO C#CCN(CC)c1nnc(-c2cccn2C)n1CCc1cn2ccccc2[nH+]1 ZINC001300616166 1059025385 /nfs/dbraw/zinc/02/53/85/1059025385.db2.gz BKXHCCTXLXROHX-UHFFFAOYSA-N 1 2 373.464 2.634 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CC2(CC)CCCC2)CC1 ZINC001300695635 1059381398 /nfs/dbraw/zinc/38/13/98/1059381398.db2.gz DRYFWYBSRXDBOO-UHFFFAOYSA-N 1 2 366.513 2.999 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2[C@@H]2C[C@H]2C)CC1 ZINC001300707596 1059443175 /nfs/dbraw/zinc/44/31/75/1059443175.db2.gz GKJZTNYVNCJWLL-IEBWSBKVSA-N 1 2 365.481 2.502 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCCC[C@@H]1CC1CCC1 ZINC001520289143 1059575563 /nfs/dbraw/zinc/57/55/63/1059575563.db2.gz LCJSFIOFLYOIIU-SQNIBIBYSA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCCC[C@@H]1CC1CCC1 ZINC001520289143 1059575579 /nfs/dbraw/zinc/57/55/79/1059575579.db2.gz LCJSFIOFLYOIIU-SQNIBIBYSA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC([C@H]2CCOC2)CC1 ZINC001520305667 1059588943 /nfs/dbraw/zinc/58/89/43/1059588943.db2.gz QJWMQZWIXNLMBO-ROUUACIJSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC([C@H]2CCOC2)CC1 ZINC001520305667 1059588962 /nfs/dbraw/zinc/58/89/62/1059588962.db2.gz QJWMQZWIXNLMBO-ROUUACIJSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCOc2ccc(O)cc2C1 ZINC001520330229 1059617821 /nfs/dbraw/zinc/61/78/21/1059617821.db2.gz BWSXCSXRJFPUFR-UHFFFAOYSA-N 1 2 369.469 2.555 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001520361459 1059638013 /nfs/dbraw/zinc/63/80/13/1059638013.db2.gz UEZBWSPXELHNHP-KRWDZBQOSA-N 1 2 361.534 2.541 20 30 FFEDLO C#CCN(CC#C)c1nnc([C@@H](C)CC)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001507641702 1059668613 /nfs/dbraw/zinc/66/86/13/1059668613.db2.gz CDEMNUJXPVYMBY-FUHWJXTLSA-N 1 2 364.497 2.947 20 30 FFEDLO O=C(NCC#C[C@@H]1CCCCO1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC001354957434 1059698091 /nfs/dbraw/zinc/69/80/91/1059698091.db2.gz MDQIWSQBSPVTAF-IBGZPJMESA-N 1 2 358.486 2.657 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCS2)CC1 ZINC001507722888 1059704121 /nfs/dbraw/zinc/70/41/21/1059704121.db2.gz MYLJZQLQJZGFBP-GOSISDBHSA-N 1 2 367.522 2.596 20 30 FFEDLO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1C[C@H](C)[NH+]1CCOCC1 ZINC001507762240 1059709327 /nfs/dbraw/zinc/70/93/27/1059709327.db2.gz SAFFPEJZENFVCR-ABSDTBQOSA-N 1 2 359.518 2.504 20 30 FFEDLO N#Cc1cccnc1NCCNc1[nH+]cnc2c1cnn2-c1ccccc1F ZINC001458131869 1060522557 /nfs/dbraw/zinc/52/25/57/1060522557.db2.gz YQRVODQIRDVQHQ-UHFFFAOYSA-N 1 2 374.383 2.745 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3oc(C4CC4)nc3C)n2CC(C)C)CC1 ZINC001517527313 1060539254 /nfs/dbraw/zinc/53/92/54/1060539254.db2.gz HLQIIXDMQKLLJF-UHFFFAOYSA-N 1 2 368.485 2.530 20 30 FFEDLO Cc1cc(Cn2c([C@H]3CCC[N@H+]3C)nnc2N2CCC[C@](C)(C#N)C2)no1 ZINC001521350171 1060550479 /nfs/dbraw/zinc/55/04/79/1060550479.db2.gz QJLCXIYUGBTBBU-VQIMIIECSA-N 1 2 369.473 2.520 20 30 FFEDLO Cc1cc(Cn2c([C@H]3CCC[N@@H+]3C)nnc2N2CCC[C@](C)(C#N)C2)no1 ZINC001521350171 1060550493 /nfs/dbraw/zinc/55/04/93/1060550493.db2.gz QJLCXIYUGBTBBU-VQIMIIECSA-N 1 2 369.473 2.520 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001512828984 1060698914 /nfs/dbraw/zinc/69/89/14/1060698914.db2.gz OGZBFJRNTSZNCJ-ZRGWGRIASA-N 1 2 366.465 2.838 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCC1 ZINC001525973291 1060944745 /nfs/dbraw/zinc/94/47/45/1060944745.db2.gz ZFYIUTYKZZGXLY-GVDBMIGSSA-N 1 2 370.497 2.614 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCC1 ZINC001525973291 1060944769 /nfs/dbraw/zinc/94/47/69/1060944769.db2.gz ZFYIUTYKZZGXLY-GVDBMIGSSA-N 1 2 370.497 2.614 20 30 FFEDLO C=CC1CCN(c2nnc(C[NH+]3CCCC3)n2C[C@H]2CCCCO2)CC1 ZINC001526379179 1061103272 /nfs/dbraw/zinc/10/32/72/1061103272.db2.gz UWZFQZPXGGSIKB-GOSISDBHSA-N 1 2 359.518 2.845 20 30 FFEDLO N#Cc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1F ZINC001460905596 1061145430 /nfs/dbraw/zinc/14/54/30/1061145430.db2.gz GNUHMFFCCBOOPE-UHFFFAOYSA-N 1 2 365.324 2.721 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001521923369 1061255369 /nfs/dbraw/zinc/25/53/69/1061255369.db2.gz DLLQTQATODDJES-GDBMZVCRSA-N 1 2 354.454 2.744 20 30 FFEDLO COc1c(O)c(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)ccc1[N+](=O)[O-] ZINC001462627816 1061698420 /nfs/dbraw/zinc/69/84/20/1061698420.db2.gz LWKFMIWLAZMDRA-KRWDZBQOSA-N 1 2 369.377 2.754 20 30 FFEDLO COc1c(O)c(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)ccc1[N+](=O)[O-] ZINC001462627816 1061698428 /nfs/dbraw/zinc/69/84/28/1061698428.db2.gz LWKFMIWLAZMDRA-KRWDZBQOSA-N 1 2 369.377 2.754 20 30 FFEDLO C#C[C@@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1)C(C)(C)C ZINC001479138318 1062244481 /nfs/dbraw/zinc/24/44/81/1062244481.db2.gz PBUYPAUIFVATOE-RBUKOAKNSA-N 1 2 357.498 2.543 20 30 FFEDLO C#C[C@@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1)C(C)(C)C ZINC001479138318 1062244501 /nfs/dbraw/zinc/24/45/01/1062244501.db2.gz PBUYPAUIFVATOE-RBUKOAKNSA-N 1 2 357.498 2.543 20 30 FFEDLO C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001479561555 1062543289 /nfs/dbraw/zinc/54/32/89/1062543289.db2.gz DMPNLRKKFPPGHN-VHDGCEQUSA-N 1 2 350.894 2.799 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCO[C@H](CC)C1 ZINC001523990498 1062679658 /nfs/dbraw/zinc/67/96/58/1062679658.db2.gz GHHJMTPTQIUVLV-GOSISDBHSA-N 1 2 372.517 2.562 20 30 FFEDLO C[NH+](C)[C@H](C(=O)N1CC(=O)Nc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC001524672532 1062949189 /nfs/dbraw/zinc/94/91/89/1062949189.db2.gz UYNBQSZQHXBUGX-SFHVURJKSA-N 1 2 368.824 2.800 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3cscc3C#N)C2)c1 ZINC001532312914 1063030515 /nfs/dbraw/zinc/03/05/15/1063030515.db2.gz HFNAHRYSBDCTJK-KRWDZBQOSA-N 1 2 355.463 2.559 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3cscc3C#N)C2)c1 ZINC001532312914 1063030537 /nfs/dbraw/zinc/03/05/37/1063030537.db2.gz HFNAHRYSBDCTJK-KRWDZBQOSA-N 1 2 355.463 2.559 20 30 FFEDLO C#CCOc1ccc(COC(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)cc1 ZINC001574735794 1078076966 /nfs/dbraw/zinc/07/69/66/1078076966.db2.gz NZBCJRCXZPKURX-OXJNMPFZSA-N 1 2 353.418 2.674 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CCc2cnn[nH]2)CC1 ZINC001575073557 1078103456 /nfs/dbraw/zinc/10/34/56/1078103456.db2.gz LVDXGRPSZINPMQ-VQIMIIECSA-N 1 2 359.518 2.653 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCC([C@H]2CCC[N@H+]2CCc2cnn[nH]2)CC1 ZINC001575073557 1078103457 /nfs/dbraw/zinc/10/34/57/1078103457.db2.gz LVDXGRPSZINPMQ-VQIMIIECSA-N 1 2 359.518 2.653 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@@H](N(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCC1 ZINC001576317744 1078215787 /nfs/dbraw/zinc/21/57/87/1078215787.db2.gz YGZXRCDYHDNXTF-BRWVUGGUSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@@H](N(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCC1 ZINC001576317744 1078215789 /nfs/dbraw/zinc/21/57/89/1078215789.db2.gz YGZXRCDYHDNXTF-BRWVUGGUSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C[C@@H](O)C(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001556788698 1075775767 /nfs/dbraw/zinc/77/57/67/1075775767.db2.gz GEXSDBBXVQEQOL-QZTJIDSGSA-N 1 2 350.890 2.946 20 30 FFEDLO C=C[C@@H](O)C(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001556788698 1075775770 /nfs/dbraw/zinc/77/57/70/1075775770.db2.gz GEXSDBBXVQEQOL-QZTJIDSGSA-N 1 2 350.890 2.946 20 30 FFEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCc2c(Cl)cccc2C1 ZINC001559553893 1076172284 /nfs/dbraw/zinc/17/22/84/1076172284.db2.gz NUAFPUWJASIWCN-UHFFFAOYSA-N 1 2 364.832 2.998 20 30 FFEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC001559553893 1076172285 /nfs/dbraw/zinc/17/22/85/1076172285.db2.gz NUAFPUWJASIWCN-UHFFFAOYSA-N 1 2 364.832 2.998 20 30 FFEDLO C=CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC001559597669 1076176174 /nfs/dbraw/zinc/17/61/74/1076176174.db2.gz NDYLJMYVSSVFLA-ZDUSSCGKSA-N 1 2 358.891 2.620 20 30 FFEDLO COC(=O)C[N@H+](C1CCCCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001559984341 1076210270 /nfs/dbraw/zinc/21/02/70/1076210270.db2.gz AQBIJPOXJKUZLT-LJQANCHMSA-N 1 2 369.465 2.861 20 30 FFEDLO COC(=O)C[N@@H+](C1CCCCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001559984341 1076210274 /nfs/dbraw/zinc/21/02/74/1076210274.db2.gz AQBIJPOXJKUZLT-LJQANCHMSA-N 1 2 369.465 2.861 20 30 FFEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001560184022 1076242784 /nfs/dbraw/zinc/24/27/84/1076242784.db2.gz CTEUVJXAYSTTKF-HOTGVXAUSA-N 1 2 350.846 2.652 20 30 FFEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001560184022 1076242786 /nfs/dbraw/zinc/24/27/86/1076242786.db2.gz CTEUVJXAYSTTKF-HOTGVXAUSA-N 1 2 350.846 2.652 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2cccc3nsnc32)C1 ZINC001560739684 1076295697 /nfs/dbraw/zinc/29/56/97/1076295697.db2.gz QVFNXWRAQDOQRY-OCCSQVGLSA-N 1 2 359.455 2.540 20 30 FFEDLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H](C)[C@H]3CCCNCC#N)ccn12 ZINC001565984071 1076828304 /nfs/dbraw/zinc/82/83/04/1076828304.db2.gz DCGZBZKKSWWPNU-CRAIPNDOSA-N 1 2 353.470 2.777 20 30 FFEDLO CCc1ccccc1NC(=O)C[N@H+]1CC[C@H](NC(=O)C#CC2CC2)[C@H]1CC ZINC001566013147 1076847526 /nfs/dbraw/zinc/84/75/26/1076847526.db2.gz ZIRKLLXGHOXQIK-VQTJNVASSA-N 1 2 367.493 2.570 20 30 FFEDLO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@H](NC(=O)C#CC2CC2)[C@H]1CC ZINC001566013147 1076847531 /nfs/dbraw/zinc/84/75/31/1076847531.db2.gz ZIRKLLXGHOXQIK-VQTJNVASSA-N 1 2 367.493 2.570 20 30 FFEDLO CCc1nnc(C[N@H+]2CC[C@H](NC(=O)CC#Cc3ccccc3)[C@H]2CC)o1 ZINC001566029398 1076865989 /nfs/dbraw/zinc/86/59/89/1076865989.db2.gz ZLOBWRHCPDTXIF-ZWKOTPCHSA-N 1 2 366.465 2.543 20 30 FFEDLO CCc1nnc(C[N@@H+]2CC[C@H](NC(=O)CC#Cc3ccccc3)[C@H]2CC)o1 ZINC001566029398 1076865990 /nfs/dbraw/zinc/86/59/90/1076865990.db2.gz ZLOBWRHCPDTXIF-ZWKOTPCHSA-N 1 2 366.465 2.543 20 30 FFEDLO C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001570722650 1077225102 /nfs/dbraw/zinc/22/51/02/1077225102.db2.gz ZBOXPVUVFBDARM-QMIHWGKISA-N 1 2 359.445 2.593 20 30 FFEDLO C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001570722650 1077225104 /nfs/dbraw/zinc/22/51/04/1077225104.db2.gz ZBOXPVUVFBDARM-QMIHWGKISA-N 1 2 359.445 2.593 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]2C[C@H]2CC(C)C)c1 ZINC001570737314 1077226981 /nfs/dbraw/zinc/22/69/81/1077226981.db2.gz CQBPHMNFDIOLOY-YVWKXTFCSA-N 1 2 369.509 2.725 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]2C[C@H]2CC(C)C)c1 ZINC001570737314 1077226983 /nfs/dbraw/zinc/22/69/83/1077226983.db2.gz CQBPHMNFDIOLOY-YVWKXTFCSA-N 1 2 369.509 2.725 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001573185067 1077572090 /nfs/dbraw/zinc/57/20/90/1077572090.db2.gz OXBULAKSCOTITO-JKSUJKDBSA-N 1 2 368.481 2.951 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@H]2CC[C@@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001573197130 1077586113 /nfs/dbraw/zinc/58/61/13/1077586113.db2.gz MIPXQEPVSPIIRH-YESZJQIVSA-N 1 2 358.486 2.592 20 30 FFEDLO C=CCCCC(=O)N[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC001573587670 1077746739 /nfs/dbraw/zinc/74/67/39/1077746739.db2.gz HKQXIXVKNLWNTF-WBVHZDCISA-N 1 2 354.454 2.718 20 30 FFEDLO N#Cc1ccc2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c1)C2 ZINC001586093084 1079545311 /nfs/dbraw/zinc/54/53/11/1079545311.db2.gz IEWWJOKUNVMJIJ-UHFFFAOYSA-N 1 2 359.345 2.808 20 30 FFEDLO Cc1cc(C#N)c(=O)[nH]c1C(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC001586583505 1079652000 /nfs/dbraw/zinc/65/20/00/1079652000.db2.gz OHEQLHPDEVHPKY-UHFFFAOYSA-N 1 2 350.422 2.710 20 30 FFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC001588426095 1080024377 /nfs/dbraw/zinc/02/43/77/1080024377.db2.gz LIYICNSRNQSJKL-UHFFFAOYSA-N 1 2 352.446 2.617 20 30 FFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC001588426095 1080024388 /nfs/dbraw/zinc/02/43/88/1080024388.db2.gz LIYICNSRNQSJKL-UHFFFAOYSA-N 1 2 352.446 2.617 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2CC2(c3ccccc3C)CC2)CC1 ZINC001588837355 1080213627 /nfs/dbraw/zinc/21/36/27/1080213627.db2.gz QSJRGWSIINNVEJ-UHFFFAOYSA-N 1 2 363.509 2.636 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2CCSCC2)c1C#N ZINC000103468199 250151302 /nfs/dbraw/zinc/15/13/02/250151302.db2.gz BNJGDBUXWOPMNS-UHFFFAOYSA-N 1 2 358.467 2.605 20 30 FFEDLO CC(C)c1[nH+]c2c(n1C)CCN([C@@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000106372559 250265358 /nfs/dbraw/zinc/26/53/58/250265358.db2.gz PROFAHPSIUEVIO-AWEZNQCLSA-N 1 2 351.454 2.800 20 30 FFEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@H]1COc2ccccc2O1 ZINC000173502855 251195229 /nfs/dbraw/zinc/19/52/29/251195229.db2.gz AYHAXSCGUDEWKE-INIZCTEOSA-N 1 2 362.389 2.880 20 30 FFEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@H]1COc2ccccc2O1 ZINC000173502855 251195231 /nfs/dbraw/zinc/19/52/31/251195231.db2.gz AYHAXSCGUDEWKE-INIZCTEOSA-N 1 2 362.389 2.880 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000267685917 251350995 /nfs/dbraw/zinc/35/09/95/251350995.db2.gz HAZKLFTVWUYTHB-DLBZAZTESA-N 1 2 350.509 2.692 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000267685917 251350999 /nfs/dbraw/zinc/35/09/99/251350999.db2.gz HAZKLFTVWUYTHB-DLBZAZTESA-N 1 2 350.509 2.692 20 30 FFEDLO N#Cc1cc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)cc(N)c1[N+](=O)[O-] ZINC000285749247 257002589 /nfs/dbraw/zinc/00/25/89/257002589.db2.gz UPQMZGVGIZLEKQ-HNNXBMFYSA-N 1 2 373.438 2.596 20 30 FFEDLO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1C#N ZINC000276966499 256147142 /nfs/dbraw/zinc/14/71/42/256147142.db2.gz PSGSWZOSBMHHOL-QGZVFWFLSA-N 1 2 355.442 2.901 20 30 FFEDLO Cn1cc(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1C#N ZINC000276966499 256147144 /nfs/dbraw/zinc/14/71/44/256147144.db2.gz PSGSWZOSBMHHOL-QGZVFWFLSA-N 1 2 355.442 2.901 20 30 FFEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3cc(C#N)ccn3)CC2)cs1 ZINC000287873563 257123859 /nfs/dbraw/zinc/12/38/59/257123859.db2.gz NQSRXUBAOXQTAW-CQSZACIVSA-N 1 2 357.483 2.829 20 30 FFEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3cc(C#N)ccn3)CC2)cs1 ZINC000287873563 257123860 /nfs/dbraw/zinc/12/38/60/257123860.db2.gz NQSRXUBAOXQTAW-CQSZACIVSA-N 1 2 357.483 2.829 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(F)(c3ccccn3)CC2)cc1 ZINC000289287630 257271802 /nfs/dbraw/zinc/27/18/02/257271802.db2.gz GVOFKQSXBZQZKA-UHFFFAOYSA-N 1 2 373.453 2.688 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC4(C3)Oc3ccccc3O4)C2=O)cc1 ZINC000289084937 257255003 /nfs/dbraw/zinc/25/50/03/257255003.db2.gz TXDJVCAJPXVEHB-KRWDZBQOSA-N 1 2 361.401 2.537 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC4(C3)Oc3ccccc3O4)C2=O)cc1 ZINC000289084937 257255004 /nfs/dbraw/zinc/25/50/04/257255004.db2.gz TXDJVCAJPXVEHB-KRWDZBQOSA-N 1 2 361.401 2.537 20 30 FFEDLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292172279 257466830 /nfs/dbraw/zinc/46/68/30/257466830.db2.gz LZAJTBCDDHWDNQ-PBHICJAKSA-N 1 2 368.412 2.881 20 30 FFEDLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292172279 257466832 /nfs/dbraw/zinc/46/68/32/257466832.db2.gz LZAJTBCDDHWDNQ-PBHICJAKSA-N 1 2 368.412 2.881 20 30 FFEDLO N#Cc1cc(N2CC[NH+](CC(=O)Nc3ccccc3)CC2)c2ccccc2n1 ZINC000301335656 258043461 /nfs/dbraw/zinc/04/34/61/258043461.db2.gz GBXQEEAIPTYKFG-UHFFFAOYSA-N 1 2 371.444 2.867 20 30 FFEDLO C[N@@H+]1CCC[C@H]1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000299523086 258001748 /nfs/dbraw/zinc/00/17/48/258001748.db2.gz QMHYQBKANKZJOB-ZDUSSCGKSA-N 1 2 359.480 2.735 20 30 FFEDLO C[N@H+]1CCC[C@H]1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000299523086 258001749 /nfs/dbraw/zinc/00/17/49/258001749.db2.gz QMHYQBKANKZJOB-ZDUSSCGKSA-N 1 2 359.480 2.735 20 30 FFEDLO CC(C)c1nc(C2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)no1 ZINC000299634102 258012352 /nfs/dbraw/zinc/01/23/52/258012352.db2.gz JIPBHHAKHFGFRU-UHFFFAOYSA-N 1 2 359.455 2.944 20 30 FFEDLO Cc1ccc(N2CC[NH+](Cc3cn4cc(Cl)ccc4n3)CC2)nc1C#N ZINC000302634050 258107318 /nfs/dbraw/zinc/10/73/18/258107318.db2.gz JVVQYLBZXNZGPF-UHFFFAOYSA-N 1 2 366.856 2.885 20 30 FFEDLO Cc1cc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c(C#N)cc1N(C)C ZINC000332517832 258233361 /nfs/dbraw/zinc/23/33/61/258233361.db2.gz NKQRRLVPMXCHLT-UHFFFAOYSA-N 1 2 364.453 2.682 20 30 FFEDLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000110305024 132246256 /nfs/dbraw/zinc/24/62/56/132246256.db2.gz RBVJTXKIFNUFOI-MDZRGWNJSA-N 1 2 372.488 2.903 20 30 FFEDLO N#Cc1ccc(NC(=O)CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000032512046 506261340 /nfs/dbraw/zinc/26/13/40/506261340.db2.gz WDZLDBMDJIIHTH-UHFFFAOYSA-N 1 2 368.868 2.968 20 30 FFEDLO Cc1cccc(NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000032541816 506263911 /nfs/dbraw/zinc/26/39/11/506263911.db2.gz LPCRVPJLUZAZQT-UHFFFAOYSA-N 1 2 362.477 2.931 20 30 FFEDLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000054391770 506550061 /nfs/dbraw/zinc/55/00/61/506550061.db2.gz SGCZAIFKVBPHQH-HNNXBMFYSA-N 1 2 368.481 2.734 20 30 FFEDLO CC(=O)Nc1cccc2c1CC[N@H+]([C@@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000054391770 506550068 /nfs/dbraw/zinc/55/00/68/506550068.db2.gz SGCZAIFKVBPHQH-HNNXBMFYSA-N 1 2 368.481 2.734 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000055055522 506667565 /nfs/dbraw/zinc/66/75/65/506667565.db2.gz CKMHYVYCTYGZOT-UHFFFAOYSA-N 1 2 367.497 2.992 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000055055522 506667572 /nfs/dbraw/zinc/66/75/72/506667572.db2.gz CKMHYVYCTYGZOT-UHFFFAOYSA-N 1 2 367.497 2.992 20 30 FFEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000042939118 506680858 /nfs/dbraw/zinc/68/08/58/506680858.db2.gz ITQJUHIQIHWXBC-HXUWFJFHSA-N 1 2 364.449 2.705 20 30 FFEDLO C=CCc1ccc(OCC(=O)NCc2cn3ccccc3[nH+]2)c(OC)c1 ZINC000043951497 506802207 /nfs/dbraw/zinc/80/22/07/506802207.db2.gz HZYCCXLTHAGWEC-UHFFFAOYSA-N 1 2 351.406 2.767 20 30 FFEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000044741623 506881775 /nfs/dbraw/zinc/88/17/75/506881775.db2.gz KBWXRHGGWRDAST-MGPUTAFESA-N 1 2 374.916 2.827 20 30 FFEDLO C[C@@H](CCc1ccco1)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000045034673 506909597 /nfs/dbraw/zinc/90/95/97/506909597.db2.gz QOSBAVMISNBGGK-KRWDZBQOSA-N 1 2 366.465 3.000 20 30 FFEDLO Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)c1C ZINC000016636719 507100253 /nfs/dbraw/zinc/10/02/53/507100253.db2.gz SWXAONVCKRVDBP-KRWDZBQOSA-N 1 2 370.497 2.905 20 30 FFEDLO Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)c1C ZINC000016636719 507100261 /nfs/dbraw/zinc/10/02/61/507100261.db2.gz SWXAONVCKRVDBP-KRWDZBQOSA-N 1 2 370.497 2.905 20 30 FFEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3ccccc3C#N)CC2)c1 ZINC000023254925 507343098 /nfs/dbraw/zinc/34/30/98/507343098.db2.gz DAOIZHUPSKFTCB-UHFFFAOYSA-N 1 2 351.450 2.893 20 30 FFEDLO C[C@H](NC(=O)C[NH+]1CCC(C#N)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000057873257 507345420 /nfs/dbraw/zinc/34/54/20/507345420.db2.gz QWICORYKMFDWAW-LBPRGKRZSA-N 1 2 355.360 2.998 20 30 FFEDLO Cc1cc(C)c(C)c(S(=O)(=O)N2CC[NH+](CCCCC#N)CC2)c1C ZINC000058340405 507406211 /nfs/dbraw/zinc/40/62/11/507406211.db2.gz OXTHEWWKRKPHDG-UHFFFAOYSA-N 1 2 363.527 2.920 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c(C#N)c1C ZINC000375463812 512341729 /nfs/dbraw/zinc/34/17/29/512341729.db2.gz GGLDVBLPBNTQQD-RISCZKNCSA-N 1 2 369.425 2.845 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c(C#N)c1C ZINC000375463812 512341733 /nfs/dbraw/zinc/34/17/33/512341733.db2.gz GGLDVBLPBNTQQD-RISCZKNCSA-N 1 2 369.425 2.845 20 30 FFEDLO CC(C)c1cccc(NC(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000060481107 507549898 /nfs/dbraw/zinc/54/98/98/507549898.db2.gz GCFIIMRLVRWYCY-UHFFFAOYSA-N 1 2 363.465 2.837 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000060633957 507571046 /nfs/dbraw/zinc/57/10/46/507571046.db2.gz FVOGUMUWOAOYMT-UHFFFAOYSA-N 1 2 370.280 2.610 20 30 FFEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000063300450 507713396 /nfs/dbraw/zinc/71/33/96/507713396.db2.gz CWIZCIIIUMRCIS-UHFFFAOYSA-N 1 2 350.378 2.754 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000063300450 507713402 /nfs/dbraw/zinc/71/34/02/507713402.db2.gz CWIZCIIIUMRCIS-UHFFFAOYSA-N 1 2 350.378 2.754 20 30 FFEDLO C=CCn1c(C)nnc1SC[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051210961 507751400 /nfs/dbraw/zinc/75/14/00/507751400.db2.gz MRPCKDAKUFWPNE-OAHLLOKOSA-N 1 2 357.483 2.892 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)Cn2cc[nH+]c2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000051451859 507771697 /nfs/dbraw/zinc/77/16/97/507771697.db2.gz LWNHHAIXTIIKOL-QGZVFWFLSA-N 1 2 364.361 2.770 20 30 FFEDLO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029856914 507792762 /nfs/dbraw/zinc/79/27/62/507792762.db2.gz RBHBCJUVDJKMDG-INIZCTEOSA-N 1 2 366.440 2.524 20 30 FFEDLO CCN(C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1)c1ccccc1 ZINC000029858164 507793599 /nfs/dbraw/zinc/79/35/99/507793599.db2.gz JPEVSNLRZBTNGC-UHFFFAOYSA-N 1 2 366.440 2.872 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)o1 ZINC000030973747 507815497 /nfs/dbraw/zinc/81/54/97/507815497.db2.gz ZNELICXPDOVQJG-XHDPSFHLSA-N 1 2 356.264 2.917 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030973747 507815498 /nfs/dbraw/zinc/81/54/98/507815498.db2.gz ZNELICXPDOVQJG-XHDPSFHLSA-N 1 2 356.264 2.917 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000031313735 507818967 /nfs/dbraw/zinc/81/89/67/507818967.db2.gz CNULWSZEBJSHGV-HNNXBMFYSA-N 1 2 350.422 2.637 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(C#N)cn2)C[C@H](C)O1 ZINC000107454437 507852700 /nfs/dbraw/zinc/85/27/00/507852700.db2.gz QUARFKLQJHIXJC-GASCZTMLSA-N 1 2 350.422 2.815 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(C#N)cn2)C[C@H](C)O1 ZINC000107454437 507852701 /nfs/dbraw/zinc/85/27/01/507852701.db2.gz QUARFKLQJHIXJC-GASCZTMLSA-N 1 2 350.422 2.815 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000078657578 507894408 /nfs/dbraw/zinc/89/44/08/507894408.db2.gz SLODNHRXZRVVFM-VFNWGFHPSA-N 1 2 371.481 2.730 20 30 FFEDLO COC(=O)c1cc(C[N@H+](C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)oc1C ZINC000078780302 507906585 /nfs/dbraw/zinc/90/65/85/507906585.db2.gz NPWUSCXFJSLBNW-ZDUSSCGKSA-N 1 2 361.442 2.538 20 30 FFEDLO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)oc1C ZINC000078780302 507906587 /nfs/dbraw/zinc/90/65/87/507906587.db2.gz NPWUSCXFJSLBNW-ZDUSSCGKSA-N 1 2 361.442 2.538 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)c(F)c1 ZINC000110303785 508019521 /nfs/dbraw/zinc/01/95/21/508019521.db2.gz MYIFODQBCRJIBC-UHFFFAOYSA-N 1 2 370.384 2.807 20 30 FFEDLO N#CC1(C(=O)N2CCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)CC2)CCC1 ZINC000080325358 508065984 /nfs/dbraw/zinc/06/59/84/508065984.db2.gz HSZWCKBENYXPJK-UHFFFAOYSA-N 1 2 371.872 2.716 20 30 FFEDLO N#CC1(C(=O)N2CCC[N@H+](Cc3cn4cc(Cl)ccc4n3)CC2)CCC1 ZINC000080325358 508065987 /nfs/dbraw/zinc/06/59/87/508065987.db2.gz HSZWCKBENYXPJK-UHFFFAOYSA-N 1 2 371.872 2.716 20 30 FFEDLO C[C@@H](NC(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1)c1ccccc1 ZINC000080906156 508110380 /nfs/dbraw/zinc/11/03/80/508110380.db2.gz GXEWSFBOROWCMW-WIYYLYMNSA-N 1 2 362.477 2.746 20 30 FFEDLO CCc1[nH+]c2ccccc2n1C1CCN(S(=O)(=O)CCCC#N)CC1 ZINC000093026712 508116385 /nfs/dbraw/zinc/11/63/85/508116385.db2.gz NREVQIUESGEVAL-UHFFFAOYSA-N 1 2 360.483 2.869 20 30 FFEDLO COc1cc(/C=C/C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1OCC#N ZINC000075556146 508116644 /nfs/dbraw/zinc/11/66/44/508116644.db2.gz MSLWYYBDPHIBMC-YERXGYGTSA-N 1 2 366.421 2.740 20 30 FFEDLO C=CCc1ccc(OCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(OC)c1 ZINC000075557441 508117152 /nfs/dbraw/zinc/11/71/52/508117152.db2.gz AFMOTDOQDCFYQS-MRXNPFEDSA-N 1 2 355.438 2.932 20 30 FFEDLO C[N@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCCN(c2ccccc2)C1=O ZINC000093512486 508146510 /nfs/dbraw/zinc/14/65/10/508146510.db2.gz SULZKJUJUAZOSC-IBGZPJMESA-N 1 2 359.433 2.833 20 30 FFEDLO C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCCN(c2ccccc2)C1=O ZINC000093512486 508146513 /nfs/dbraw/zinc/14/65/13/508146513.db2.gz SULZKJUJUAZOSC-IBGZPJMESA-N 1 2 359.433 2.833 20 30 FFEDLO COC[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000093529425 508147564 /nfs/dbraw/zinc/14/75/64/508147564.db2.gz YFWFMHKRRGBGTN-OAQYLSRUSA-N 1 2 352.434 2.984 20 30 FFEDLO COC[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000093529425 508147567 /nfs/dbraw/zinc/14/75/67/508147567.db2.gz YFWFMHKRRGBGTN-OAQYLSRUSA-N 1 2 352.434 2.984 20 30 FFEDLO C=C(C)COc1cc(C[N@H+](CCS(C)(=O)=O)C2CC2)ccc1OC ZINC000093816661 508156287 /nfs/dbraw/zinc/15/62/87/508156287.db2.gz OIFDQBNDKGFQNG-UHFFFAOYSA-N 1 2 353.484 2.659 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+](CCS(C)(=O)=O)C2CC2)ccc1OC ZINC000093816661 508156291 /nfs/dbraw/zinc/15/62/91/508156291.db2.gz OIFDQBNDKGFQNG-UHFFFAOYSA-N 1 2 353.484 2.659 20 30 FFEDLO Cn1cc(C#N)cc1C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000081755862 508208573 /nfs/dbraw/zinc/20/85/73/508208573.db2.gz RLTWDIWUGMHRTM-AWEZNQCLSA-N 1 2 358.392 2.569 20 30 FFEDLO Cn1cc(C#N)cc1C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000081755862 508208574 /nfs/dbraw/zinc/20/85/74/508208574.db2.gz RLTWDIWUGMHRTM-AWEZNQCLSA-N 1 2 358.392 2.569 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000083174209 508239647 /nfs/dbraw/zinc/23/96/47/508239647.db2.gz WFHGMJALZKFXFG-JXFKEZNVSA-N 1 2 364.449 2.546 20 30 FFEDLO COc1ccc(C[N@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)cc1O ZINC000083206549 508240609 /nfs/dbraw/zinc/24/06/09/508240609.db2.gz RBDWVQKUARPKFI-AWEZNQCLSA-N 1 2 357.435 2.571 20 30 FFEDLO COc1ccc(C[N@@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)cc1O ZINC000083206549 508240612 /nfs/dbraw/zinc/24/06/12/508240612.db2.gz RBDWVQKUARPKFI-AWEZNQCLSA-N 1 2 357.435 2.571 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000101554527 508245351 /nfs/dbraw/zinc/24/53/51/508245351.db2.gz QTOAGVBJGSEYMR-QHCPKHFHSA-N 1 2 374.488 2.948 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cc(C#N)cs1 ZINC000084095941 508265427 /nfs/dbraw/zinc/26/54/27/508265427.db2.gz RZTXMTQTRQENHR-INIZCTEOSA-N 1 2 369.490 2.983 20 30 FFEDLO CN(C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1(C#N)CCCCC1 ZINC000088606235 508378888 /nfs/dbraw/zinc/37/88/88/508378888.db2.gz KYDKITWNJIPIFD-UHFFFAOYSA-N 1 2 356.426 2.638 20 30 FFEDLO CN(C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1(C#N)CCCCC1 ZINC000088606235 508378890 /nfs/dbraw/zinc/37/88/90/508378890.db2.gz KYDKITWNJIPIFD-UHFFFAOYSA-N 1 2 356.426 2.638 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1F ZINC000089129106 508388779 /nfs/dbraw/zinc/38/87/79/508388779.db2.gz OZLKRGIGJNPLBS-HXUWFJFHSA-N 1 2 367.424 2.995 20 30 FFEDLO C[NH+](C)[C@H](CNC(=O)Cc1ccc(OCC#N)cc1)c1c(F)cccc1F ZINC000115410742 508392153 /nfs/dbraw/zinc/39/21/53/508392153.db2.gz XGDJJKASMIOPCM-GOSISDBHSA-N 1 2 373.403 2.829 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000115537553 508405684 /nfs/dbraw/zinc/40/56/84/508405684.db2.gz HSQLXDJZJQKEJQ-GOSISDBHSA-N 1 2 354.841 2.560 20 30 FFEDLO COc1cc(C)c(C[N@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115532420 508405966 /nfs/dbraw/zinc/40/59/66/508405966.db2.gz BGRUQGFDEBXHLV-LJQANCHMSA-N 1 2 353.422 2.542 20 30 FFEDLO COc1cc(C)c(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115532420 508405967 /nfs/dbraw/zinc/40/59/67/508405967.db2.gz BGRUQGFDEBXHLV-LJQANCHMSA-N 1 2 353.422 2.542 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152261306 508411430 /nfs/dbraw/zinc/41/14/30/508411430.db2.gz KXIAFOMWDXVBEU-BBRMVZONSA-N 1 2 364.453 2.760 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152261306 508411433 /nfs/dbraw/zinc/41/14/33/508411433.db2.gz KXIAFOMWDXVBEU-BBRMVZONSA-N 1 2 364.453 2.760 20 30 FFEDLO N#Cc1ccc([C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)C(N)=O)cc1 ZINC000115596557 508415706 /nfs/dbraw/zinc/41/57/06/508415706.db2.gz CAJFRKTUTPBSKE-IBGZPJMESA-N 1 2 362.433 2.613 20 30 FFEDLO CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115598362 508416171 /nfs/dbraw/zinc/41/61/71/508416171.db2.gz UCOAGGCICZFXFQ-HXUWFJFHSA-N 1 2 364.449 2.859 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1OC ZINC000152558959 508469668 /nfs/dbraw/zinc/46/96/68/508469668.db2.gz IMVWIFKTKBIRLI-MRXNPFEDSA-N 1 2 353.422 2.664 20 30 FFEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]O[C@@H](C)c3nc(C(C)C)no3)cn2)n1 ZINC000157112726 508524289 /nfs/dbraw/zinc/52/42/89/508524289.db2.gz IFDIATILZZFXIC-ZDUSSCGKSA-N 1 2 369.429 2.789 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1C#N ZINC000157644379 508591917 /nfs/dbraw/zinc/59/19/17/508591917.db2.gz SJWBNGZYDZHFMS-LSDHHAIUSA-N 1 2 360.458 2.576 20 30 FFEDLO CCOCCO[C@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000157656126 508592987 /nfs/dbraw/zinc/59/29/87/508592987.db2.gz SKAHTNWSBUIEAG-KRWDZBQOSA-N 1 2 369.465 2.865 20 30 FFEDLO CCOCCO[C@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000157656126 508592989 /nfs/dbraw/zinc/59/29/89/508592989.db2.gz SKAHTNWSBUIEAG-KRWDZBQOSA-N 1 2 369.465 2.865 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000128525560 508606315 /nfs/dbraw/zinc/60/63/15/508606315.db2.gz PGZJCZZWOGXCBO-UHFFFAOYSA-N 1 2 369.490 2.544 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000128525560 508606319 /nfs/dbraw/zinc/60/63/19/508606319.db2.gz PGZJCZZWOGXCBO-UHFFFAOYSA-N 1 2 369.490 2.544 20 30 FFEDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000135562621 508623900 /nfs/dbraw/zinc/62/39/00/508623900.db2.gz XJEQRZBMYZBCTH-MRXNPFEDSA-N 1 2 357.845 2.893 20 30 FFEDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000135562621 508623905 /nfs/dbraw/zinc/62/39/05/508623905.db2.gz XJEQRZBMYZBCTH-MRXNPFEDSA-N 1 2 357.845 2.893 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1nnc(C(C)C)s1)Cc1ccc(C#N)cc1 ZINC000136841722 508719810 /nfs/dbraw/zinc/71/98/10/508719810.db2.gz SVKQNEDMEFMTOQ-UHFFFAOYSA-N 1 2 373.482 2.620 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1nnc(C(C)C)s1)Cc1ccc(C#N)cc1 ZINC000136841722 508719813 /nfs/dbraw/zinc/71/98/13/508719813.db2.gz SVKQNEDMEFMTOQ-UHFFFAOYSA-N 1 2 373.482 2.620 20 30 FFEDLO N#Cc1ccc(OC2C[NH+](C[C@H](O)COCc3ccccc3Cl)C2)cc1 ZINC000158556812 508721125 /nfs/dbraw/zinc/72/11/25/508721125.db2.gz MWXIXHKGZOPXIS-KRWDZBQOSA-N 1 2 372.852 2.852 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(CCC#N)Cc1ccco1 ZINC000119378306 508784156 /nfs/dbraw/zinc/78/41/56/508784156.db2.gz KVSPCRAYNYCHBE-UHFFFAOYSA-N 1 2 369.425 2.767 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(C)c(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000130177512 508801769 /nfs/dbraw/zinc/80/17/69/508801769.db2.gz PMFIAZRGISABNI-AWEZNQCLSA-N 1 2 358.301 2.933 20 30 FFEDLO C=CC[N@H+](Cc1ccc(C)c(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000130177512 508801774 /nfs/dbraw/zinc/80/17/74/508801774.db2.gz PMFIAZRGISABNI-AWEZNQCLSA-N 1 2 358.301 2.933 20 30 FFEDLO C=CCOc1ccc(CN2CC[NH+](CC(=O)NC(C)C)CC2)cc1Cl ZINC000119574282 508821524 /nfs/dbraw/zinc/82/15/24/508821524.db2.gz WANNPANRLADIHL-UHFFFAOYSA-N 1 2 365.905 2.547 20 30 FFEDLO COC(=O)c1cc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)o1 ZINC000143133633 508828176 /nfs/dbraw/zinc/82/81/76/508828176.db2.gz SSRIWWCIDKIVJC-UHFFFAOYSA-N 1 2 353.422 2.564 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c(C)o1 ZINC000143133633 508828181 /nfs/dbraw/zinc/82/81/81/508828181.db2.gz SSRIWWCIDKIVJC-UHFFFAOYSA-N 1 2 353.422 2.564 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000159471394 508846790 /nfs/dbraw/zinc/84/67/90/508846790.db2.gz PJUZZNFVIIBLMT-UZLBHIALSA-N 1 2 360.477 2.559 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(Br)c1 ZINC000154872776 508873454 /nfs/dbraw/zinc/87/34/54/508873454.db2.gz CDJDKWAOOPFEGM-ZDUSSCGKSA-N 1 2 372.270 2.821 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(Br)c1 ZINC000154872776 508873457 /nfs/dbraw/zinc/87/34/57/508873457.db2.gz CDJDKWAOOPFEGM-ZDUSSCGKSA-N 1 2 372.270 2.821 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000155258301 508959754 /nfs/dbraw/zinc/95/97/54/508959754.db2.gz DDNVGXLSFUWCAI-OAHLLOKOSA-N 1 2 366.421 2.504 20 30 FFEDLO C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cn(-c2ccccc2)nn1 ZINC000151257821 508988085 /nfs/dbraw/zinc/98/80/85/508988085.db2.gz USJAIOPXLAVNSA-KXBFYZLASA-N 1 2 372.432 2.595 20 30 FFEDLO Cc1ccc(C#N)c(NCc2cccc(OCC[NH+]3CCOCC3)c2)n1 ZINC000160818298 509036487 /nfs/dbraw/zinc/03/64/87/509036487.db2.gz CRDRZKKLHMGPPG-UHFFFAOYSA-N 1 2 352.438 2.585 20 30 FFEDLO CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1C#N ZINC000161245195 509091386 /nfs/dbraw/zinc/09/13/86/509091386.db2.gz LNGPUJCNPWWHKZ-GFCCVEGCSA-N 1 2 353.382 2.524 20 30 FFEDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000152038080 509134795 /nfs/dbraw/zinc/13/47/95/509134795.db2.gz RMJGRMDSZFLSGS-HNNXBMFYSA-N 1 2 373.453 2.592 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000152038080 509134799 /nfs/dbraw/zinc/13/47/99/509134799.db2.gz RMJGRMDSZFLSGS-HNNXBMFYSA-N 1 2 373.453 2.592 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2csc([C@@H](C)OC)n2)cc1OC ZINC000267027391 509313520 /nfs/dbraw/zinc/31/35/20/509313520.db2.gz UIIMOJGLUWLAMH-SNVBAGLBSA-N 1 2 351.428 2.705 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2csc([C@H](C)OC)n2)cc1OC ZINC000267027389 509314679 /nfs/dbraw/zinc/31/46/79/509314679.db2.gz UIIMOJGLUWLAMH-JTQLQIEISA-N 1 2 351.428 2.705 20 30 FFEDLO C=CC[C@H](CO)NC(=O)c1ccccc1OCc1cn2cccc(C)c2[nH+]1 ZINC000185751871 509337869 /nfs/dbraw/zinc/33/78/69/509337869.db2.gz OWWVKLMMTHNRPH-MRXNPFEDSA-N 1 2 365.433 2.889 20 30 FFEDLO C[C@H]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000248506522 509346726 /nfs/dbraw/zinc/34/67/26/509346726.db2.gz XUVRRYHWSXIACC-SWLSCSKDSA-N 1 2 364.858 2.680 20 30 FFEDLO CN(C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1nccs1 ZINC000264139746 509347150 /nfs/dbraw/zinc/34/71/50/509347150.db2.gz PZKCTPMUJRVCIT-UHFFFAOYSA-N 1 2 356.451 2.521 20 30 FFEDLO COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)CC#Cc3ccccc3)C2=O)c1 ZINC000192113423 509351059 /nfs/dbraw/zinc/35/10/59/509351059.db2.gz XNWLMEWPBOLBFV-OAQYLSRUSA-N 1 2 364.445 2.793 20 30 FFEDLO COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)CC#Cc3ccccc3)C2=O)c1 ZINC000192113423 509351067 /nfs/dbraw/zinc/35/10/67/509351067.db2.gz XNWLMEWPBOLBFV-OAQYLSRUSA-N 1 2 364.445 2.793 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)NCc3cccs3)CC2)cc1 ZINC000264164247 509359598 /nfs/dbraw/zinc/35/95/98/509359598.db2.gz WYVBKGALRJQNJK-UHFFFAOYSA-N 1 2 355.463 2.779 20 30 FFEDLO C[N@H+](CC#Cc1ccccc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000192145342 509371385 /nfs/dbraw/zinc/37/13/85/509371385.db2.gz XMTIPLHUUALKDN-KRWDZBQOSA-N 1 2 357.251 2.959 20 30 FFEDLO C[N@@H+](CC#Cc1ccccc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000192145342 509371390 /nfs/dbraw/zinc/37/13/90/509371390.db2.gz XMTIPLHUUALKDN-KRWDZBQOSA-N 1 2 357.251 2.959 20 30 FFEDLO N#Cc1cccc(OC2CC[NH+](Cc3cn(Cc4cccnc4)nn3)CC2)c1 ZINC000183006944 509545239 /nfs/dbraw/zinc/54/52/39/509545239.db2.gz VWHZBXMPWKDHLK-UHFFFAOYSA-N 1 2 374.448 2.636 20 30 FFEDLO C=CCN(Cc1c[nH+]cn1C)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000267765078 509604931 /nfs/dbraw/zinc/60/49/31/509604931.db2.gz JRPHIGSGPPJKLW-UHFFFAOYSA-N 1 2 359.373 2.816 20 30 FFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)Cc1ccc(OCC#N)cc1 ZINC000264653133 509625965 /nfs/dbraw/zinc/62/59/65/509625965.db2.gz GYKOSYKOHBOBEF-UHFFFAOYSA-N 1 2 366.343 2.549 20 30 FFEDLO N#CCOc1ccc(CC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000264676597 509639708 /nfs/dbraw/zinc/63/97/08/509639708.db2.gz NBQOOYRRPHODSZ-UHFFFAOYSA-N 1 2 364.449 2.833 20 30 FFEDLO COc1cccc(F)c1[C@H](C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000179901147 509666413 /nfs/dbraw/zinc/66/64/13/509666413.db2.gz PRVHNSXWQWGPCT-ZDUSSCGKSA-N 1 2 362.426 2.830 20 30 FFEDLO Cc1nn(C)c2ncc(C[NH+]3CCN(c4ccc(C#N)cc4F)CC3)cc12 ZINC000170646987 509696810 /nfs/dbraw/zinc/69/68/10/509696810.db2.gz XHJFJDKWOMKPKY-UHFFFAOYSA-N 1 2 364.428 2.610 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cnn(-c4ccc(F)cc4)c3)CC2)nc1 ZINC000179988914 509702092 /nfs/dbraw/zinc/70/20/92/509702092.db2.gz KQPKZPUEUKSNOV-UHFFFAOYSA-N 1 2 362.412 2.600 20 30 FFEDLO C=CC[C@@H](C(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccccc1 ZINC000186477679 509729082 /nfs/dbraw/zinc/72/90/82/509729082.db2.gz OIAYTKGROVRGLC-LJQANCHMSA-N 1 2 351.450 2.894 20 30 FFEDLO C[C@H](Sc1ccccc1C#N)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000173710779 509733897 /nfs/dbraw/zinc/73/38/97/509733897.db2.gz LSEPRGKQVAQAFB-HNNXBMFYSA-N 1 2 352.463 2.783 20 30 FFEDLO CC(C)COc1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000176888011 509743626 /nfs/dbraw/zinc/74/36/26/509743626.db2.gz BMSLDEXINGLKFX-UHFFFAOYSA-N 1 2 374.485 2.801 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1cccc([N+](=O)[O-])c1 ZINC000249828922 509771351 /nfs/dbraw/zinc/77/13/51/509771351.db2.gz MXPPTIRTZQOQHN-MOPGFXCFSA-N 1 2 373.453 2.753 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1cccc([N+](=O)[O-])c1 ZINC000249828922 509771360 /nfs/dbraw/zinc/77/13/60/509771360.db2.gz MXPPTIRTZQOQHN-MOPGFXCFSA-N 1 2 373.453 2.753 20 30 FFEDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000180142117 509775428 /nfs/dbraw/zinc/77/54/28/509775428.db2.gz NWQXJAIBYXNULS-DOMZBBRYSA-N 1 2 364.858 2.680 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000193154213 509799186 /nfs/dbraw/zinc/79/91/86/509799186.db2.gz YEKSBKNBBKWKMS-OAHLLOKOSA-N 1 2 363.889 2.632 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000173857814 509820563 /nfs/dbraw/zinc/82/05/63/509820563.db2.gz ZWTLEXVPIOXJIF-RDTXWAMCSA-N 1 2 351.441 2.724 20 30 FFEDLO C=CCNC(=O)[C@@H](C)N1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000173857814 509820570 /nfs/dbraw/zinc/82/05/70/509820570.db2.gz ZWTLEXVPIOXJIF-RDTXWAMCSA-N 1 2 351.441 2.724 20 30 FFEDLO COc1cc(C[N@H+](C)CC(=O)N(CCC#N)c2ccccc2)ccc1O ZINC000170915671 509845374 /nfs/dbraw/zinc/84/53/74/509845374.db2.gz PMECOIMXUYVZOV-UHFFFAOYSA-N 1 2 353.422 2.779 20 30 FFEDLO COc1cc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)ccc1O ZINC000170915671 509845381 /nfs/dbraw/zinc/84/53/81/509845381.db2.gz PMECOIMXUYVZOV-UHFFFAOYSA-N 1 2 353.422 2.779 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000255953569 509940167 /nfs/dbraw/zinc/94/01/67/509940167.db2.gz AKHOIGXBJUTYJG-YXYSEUPNSA-N 1 2 368.525 2.952 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)ccc1C#N ZINC000245731931 510113770 /nfs/dbraw/zinc/11/37/70/510113770.db2.gz YXUINLPHMMCGOA-WMZOPIPTSA-N 1 2 356.376 2.715 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)ccc1C#N ZINC000245731931 510113774 /nfs/dbraw/zinc/11/37/74/510113774.db2.gz YXUINLPHMMCGOA-WMZOPIPTSA-N 1 2 356.376 2.715 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245737816 510116955 /nfs/dbraw/zinc/11/69/55/510116955.db2.gz KXIAFOMWDXVBEU-CZUORRHYSA-N 1 2 364.453 2.760 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245737816 510116958 /nfs/dbraw/zinc/11/69/58/510116958.db2.gz KXIAFOMWDXVBEU-CZUORRHYSA-N 1 2 364.453 2.760 20 30 FFEDLO C=C(C)COCCNC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000177704417 510206743 /nfs/dbraw/zinc/20/67/43/510206743.db2.gz APWRTRIRTMTVOA-QGZVFWFLSA-N 1 2 361.486 2.676 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246002222 510244646 /nfs/dbraw/zinc/24/46/46/510244646.db2.gz JFEBNKVLQSYLIX-DGCLKSJQSA-N 1 2 350.406 2.506 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246002222 510244652 /nfs/dbraw/zinc/24/46/52/510244652.db2.gz JFEBNKVLQSYLIX-DGCLKSJQSA-N 1 2 350.406 2.506 20 30 FFEDLO CC(C)(C#N)CCC[NH+]1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000174810055 510322867 /nfs/dbraw/zinc/32/28/67/510322867.db2.gz XPWIQXAKQBQDOC-UHFFFAOYSA-N 1 2 369.918 2.976 20 30 FFEDLO Cc1ccc(S(=O)(=O)N2CC[NH+](CCCC(C)(C)C#N)CC2)cc1C ZINC000174808229 510323332 /nfs/dbraw/zinc/32/33/32/510323332.db2.gz XTZXRCYJTWFUKE-UHFFFAOYSA-N 1 2 363.527 2.940 20 30 FFEDLO CC(C)n1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000246153337 510324905 /nfs/dbraw/zinc/32/49/05/510324905.db2.gz MRCBNFNWJMPILT-NVXWUHKLSA-N 1 2 366.469 2.937 20 30 FFEDLO CC(C)n1cnnc1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000246153337 510324910 /nfs/dbraw/zinc/32/49/10/510324910.db2.gz MRCBNFNWJMPILT-NVXWUHKLSA-N 1 2 366.469 2.937 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@](C)(O)C2)c1C#N ZINC000178010942 510374382 /nfs/dbraw/zinc/37/43/82/510374382.db2.gz GEKOTEKFFBSKAA-FQEVSTJZSA-N 1 2 358.486 2.877 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@](C)(O)C2)c1C#N ZINC000178010942 510374389 /nfs/dbraw/zinc/37/43/89/510374389.db2.gz GEKOTEKFFBSKAA-FQEVSTJZSA-N 1 2 358.486 2.877 20 30 FFEDLO N#Cc1ccc(CN[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c(F)c1 ZINC000269384239 510376187 /nfs/dbraw/zinc/37/61/87/510376187.db2.gz AGFCICYBGJYVAL-TZIWHRDSSA-N 1 2 353.441 2.670 20 30 FFEDLO N#Cc1ccc(CN[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c(F)c1 ZINC000269384239 510376199 /nfs/dbraw/zinc/37/61/99/510376199.db2.gz AGFCICYBGJYVAL-TZIWHRDSSA-N 1 2 353.441 2.670 20 30 FFEDLO C[C@H]1C[NH+]=C(N2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)S1 ZINC000266044366 510377750 /nfs/dbraw/zinc/37/77/50/510377750.db2.gz VQZVUHDAGGJTRM-JTQLQIEISA-N 1 2 355.389 2.585 20 30 FFEDLO CCOc1ccccc1NC(=O)[C@@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C ZINC000266193712 510454735 /nfs/dbraw/zinc/45/47/35/510454735.db2.gz IZSHZJTUEWTNOZ-UONOGXRCSA-N 1 2 351.447 2.762 20 30 FFEDLO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000269549311 510458496 /nfs/dbraw/zinc/45/84/96/510458496.db2.gz XXRFXVVLSWYWDH-BBRMVZONSA-N 1 2 374.485 2.723 20 30 FFEDLO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000269549311 510458502 /nfs/dbraw/zinc/45/85/02/510458502.db2.gz XXRFXVVLSWYWDH-BBRMVZONSA-N 1 2 374.485 2.723 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181537433 510461478 /nfs/dbraw/zinc/46/14/78/510461478.db2.gz NIAKNRFJGYWKHK-PKOBYXMFSA-N 1 2 355.482 2.661 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181537433 510461487 /nfs/dbraw/zinc/46/14/87/510461487.db2.gz NIAKNRFJGYWKHK-PKOBYXMFSA-N 1 2 355.482 2.661 20 30 FFEDLO N#Cc1cccc(C2(NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)CC2)c1 ZINC000269608159 510481871 /nfs/dbraw/zinc/48/18/71/510481871.db2.gz LECYEIXUQHHXJE-FQEVSTJZSA-N 1 2 361.445 2.565 20 30 FFEDLO N#Cc1cccc(C2(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2)c1 ZINC000269608159 510481880 /nfs/dbraw/zinc/48/18/80/510481880.db2.gz LECYEIXUQHHXJE-FQEVSTJZSA-N 1 2 361.445 2.565 20 30 FFEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000178247070 510509008 /nfs/dbraw/zinc/50/90/08/510509008.db2.gz YINUSSCXKQFFQJ-CYBMUJFWSA-N 1 2 357.376 2.514 20 30 FFEDLO C=CCNc1ncc(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)s1 ZINC000178511746 510637629 /nfs/dbraw/zinc/63/76/29/510637629.db2.gz JKWURZVITHTBKU-LBPRGKRZSA-N 1 2 362.524 2.979 20 30 FFEDLO C=CCNc1ncc(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)s1 ZINC000178511746 510637637 /nfs/dbraw/zinc/63/76/37/510637637.db2.gz JKWURZVITHTBKU-LBPRGKRZSA-N 1 2 362.524 2.979 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000188249417 510668465 /nfs/dbraw/zinc/66/84/65/510668465.db2.gz QWQXWKSANYJYOR-JXXFODFXSA-N 1 2 361.486 2.540 20 30 FFEDLO C[C@H](c1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1)[NH+]1CCOCC1 ZINC000188285537 510688660 /nfs/dbraw/zinc/68/86/60/510688660.db2.gz VTCONAQHGFABOL-CQSZACIVSA-N 1 2 351.406 2.909 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000266640483 510703972 /nfs/dbraw/zinc/70/39/72/510703972.db2.gz UJYRAWYIIHLHRN-CABCVRRESA-N 1 2 370.453 2.985 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000188325597 510711257 /nfs/dbraw/zinc/71/12/57/510711257.db2.gz KHNVRNOSQGDZBK-CTNGQTDRSA-N 1 2 360.498 2.713 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000266754216 510767477 /nfs/dbraw/zinc/76/74/77/510767477.db2.gz QYVIVXJOLBVGOA-DOMZBBRYSA-N 1 2 373.400 2.628 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000266754216 510767486 /nfs/dbraw/zinc/76/74/86/510767486.db2.gz QYVIVXJOLBVGOA-DOMZBBRYSA-N 1 2 373.400 2.628 20 30 FFEDLO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000195415351 510818830 /nfs/dbraw/zinc/81/88/30/510818830.db2.gz SOSFLNIIIDDSHQ-HOTGVXAUSA-N 1 2 365.481 2.532 20 30 FFEDLO [O-]C(N[C@@H]1CCCN(c2ccccc2F)C1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329908798 510874503 /nfs/dbraw/zinc/87/45/03/510874503.db2.gz UOEBDMUQIUJJRY-JKSUJKDBSA-N 1 2 371.460 2.757 20 30 FFEDLO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000329935339 510881489 /nfs/dbraw/zinc/88/14/89/510881489.db2.gz CMPSBRLGHPAMBO-GOEBONIOSA-N 1 2 368.437 2.925 20 30 FFEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)Nc2nc(C3CC3)cs2)C1 ZINC000329936845 510881742 /nfs/dbraw/zinc/88/17/42/510881742.db2.gz LDUBWWQKWWIUCW-AWEZNQCLSA-N 1 2 350.488 2.609 20 30 FFEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)Nc2nc(C3CC3)cs2)C1 ZINC000329936845 510881743 /nfs/dbraw/zinc/88/17/43/510881743.db2.gz LDUBWWQKWWIUCW-AWEZNQCLSA-N 1 2 350.488 2.609 20 30 FFEDLO CCN1CCCN(C(=O)Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)CC1=O ZINC000329950084 510884608 /nfs/dbraw/zinc/88/46/08/510884608.db2.gz LVAAYVLXGFYUMX-MRXNPFEDSA-N 1 2 373.501 2.869 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@H](C)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000329969449 510889708 /nfs/dbraw/zinc/88/97/08/510889708.db2.gz XJIYCALOIMOSMM-RDJZCZTQSA-N 1 2 371.485 2.702 20 30 FFEDLO CCN1CCN(C(=O)N[C@@H]2CCOc3c(C)cccc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000329968292 510890286 /nfs/dbraw/zinc/89/02/86/510890286.db2.gz SZBGJRZQMGZFLX-SJORKVTESA-N 1 2 369.469 2.835 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330075303 510911459 /nfs/dbraw/zinc/91/14/59/510911459.db2.gz LSXGFSLDVDIEOO-QAPCUYQASA-N 1 2 353.470 2.907 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330075303 510911466 /nfs/dbraw/zinc/91/14/66/510911466.db2.gz LSXGFSLDVDIEOO-QAPCUYQASA-N 1 2 353.470 2.907 20 30 FFEDLO C[C@@H]1CN(c2ccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)cn2)C[C@H](C)O1 ZINC000330090081 510913534 /nfs/dbraw/zinc/91/35/34/510913534.db2.gz PEKCPTHASAHIOU-ZNMIVQPWSA-N 1 2 355.442 2.742 20 30 FFEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccccc2OC)C[C@]2(CCOC2)O1 ZINC000330103684 510916395 /nfs/dbraw/zinc/91/63/95/510916395.db2.gz GMYWKCNMHUVKIO-QINHECLXSA-N 1 2 362.470 2.983 20 30 FFEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2ccccc2OC)C[C@]2(CCOC2)O1 ZINC000330103684 510916402 /nfs/dbraw/zinc/91/64/02/510916402.db2.gz GMYWKCNMHUVKIO-QINHECLXSA-N 1 2 362.470 2.983 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)n1 ZINC000293981535 510918493 /nfs/dbraw/zinc/91/84/93/510918493.db2.gz DVFGFZRDEZBDQR-UZLBHIALSA-N 1 2 368.456 2.839 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)n1 ZINC000293981535 510918498 /nfs/dbraw/zinc/91/84/98/510918498.db2.gz DVFGFZRDEZBDQR-UZLBHIALSA-N 1 2 368.456 2.839 20 30 FFEDLO COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330144839 510924744 /nfs/dbraw/zinc/92/47/44/510924744.db2.gz ZVHCBDQASMJKRN-TWOQFEAHSA-N 1 2 362.470 2.810 20 30 FFEDLO COc1ccccc1CNC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330144839 510924750 /nfs/dbraw/zinc/92/47/50/510924750.db2.gz ZVHCBDQASMJKRN-TWOQFEAHSA-N 1 2 362.470 2.810 20 30 FFEDLO Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NCc2[nH+]ccn2C)CCCC1 ZINC000330195276 510935274 /nfs/dbraw/zinc/93/52/74/510935274.db2.gz ZNFDHZWQQRWCNI-UHFFFAOYSA-N 1 2 358.446 2.545 20 30 FFEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000276465338 510938209 /nfs/dbraw/zinc/93/82/09/510938209.db2.gz XGHBMPXUWJGQJW-ZDUSSCGKSA-N 1 2 352.276 2.877 20 30 FFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000276465338 510938214 /nfs/dbraw/zinc/93/82/14/510938214.db2.gz XGHBMPXUWJGQJW-ZDUSSCGKSA-N 1 2 352.276 2.877 20 30 FFEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000276465337 510938763 /nfs/dbraw/zinc/93/87/63/510938763.db2.gz XGHBMPXUWJGQJW-CYBMUJFWSA-N 1 2 352.276 2.877 20 30 FFEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000276465337 510938768 /nfs/dbraw/zinc/93/87/68/510938768.db2.gz XGHBMPXUWJGQJW-CYBMUJFWSA-N 1 2 352.276 2.877 20 30 FFEDLO Cn1cc(C[NH+]2CCN(C(=O)NC[C@@H]3CCCCC(F)(F)C3)CC2)cn1 ZINC000330218803 510939709 /nfs/dbraw/zinc/93/97/09/510939709.db2.gz OZGVBOLQAHMEAD-OAHLLOKOSA-N 1 2 369.460 2.667 20 30 FFEDLO O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330232210 510942963 /nfs/dbraw/zinc/94/29/63/510942963.db2.gz RJOKTYHTJOCLFB-RHSMWYFYSA-N 1 2 350.488 2.558 20 30 FFEDLO O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330232210 510942967 /nfs/dbraw/zinc/94/29/67/510942967.db2.gz RJOKTYHTJOCLFB-RHSMWYFYSA-N 1 2 350.488 2.558 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC1 ZINC000294072458 510946876 /nfs/dbraw/zinc/94/68/76/510946876.db2.gz HVUANEGADANWQT-MRXNPFEDSA-N 1 2 363.465 2.538 20 30 FFEDLO C[C@@H]1CN(Cc2csc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)n2)C[C@@H](C)O1 ZINC000330273235 510953857 /nfs/dbraw/zinc/95/38/57/510953857.db2.gz YWTXGRKPTZSVKS-XJKCOSOUSA-N 1 2 364.515 2.967 20 30 FFEDLO C[C@@H]1CN(Cc2csc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)n2)C[C@@H](C)O1 ZINC000330273235 510953864 /nfs/dbraw/zinc/95/38/64/510953864.db2.gz YWTXGRKPTZSVKS-XJKCOSOUSA-N 1 2 364.515 2.967 20 30 FFEDLO CC[C@]1(O)CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000330325923 510964792 /nfs/dbraw/zinc/96/47/92/510964792.db2.gz UXGORTDTVFONIJ-DYVFJYSZSA-N 1 2 352.504 2.767 20 30 FFEDLO CC[C@]1(O)CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000330325923 510964795 /nfs/dbraw/zinc/96/47/95/510964795.db2.gz UXGORTDTVFONIJ-DYVFJYSZSA-N 1 2 352.504 2.767 20 30 FFEDLO C[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@@]1=O ZINC000277649185 510968738 /nfs/dbraw/zinc/96/87/38/510968738.db2.gz OCTOGZJNDWSKFB-LMKMVOKYSA-N 1 2 356.495 2.807 20 30 FFEDLO C[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@@]1=O ZINC000277649185 510968744 /nfs/dbraw/zinc/96/87/44/510968744.db2.gz OCTOGZJNDWSKFB-LMKMVOKYSA-N 1 2 356.495 2.807 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330339302 510969971 /nfs/dbraw/zinc/96/99/71/510969971.db2.gz WNBDCCMDIGTQST-LMSBXDPUSA-N 1 2 364.490 2.739 20 30 FFEDLO CCN1CCN(C(=O)Nc2ccc(F)c(F)c2F)C[C@H]1c1[nH]cc[nH+]1 ZINC000330346645 510971492 /nfs/dbraw/zinc/97/14/92/510971492.db2.gz GVEOLBKLUFGRPQ-LBPRGKRZSA-N 1 2 353.348 2.751 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285598111 510972192 /nfs/dbraw/zinc/97/21/92/510972192.db2.gz WMESTWIANZZQNN-HXUWFJFHSA-N 1 2 372.444 2.595 20 30 FFEDLO C=C(Cl)CNC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278078251 510981116 /nfs/dbraw/zinc/98/11/16/510981116.db2.gz MADCIVCGFOPCPF-UHFFFAOYSA-N 1 2 358.829 2.694 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H](C)C1 ZINC000282461244 510987639 /nfs/dbraw/zinc/98/76/39/510987639.db2.gz QCCDILHAHBIPGL-HNNXBMFYSA-N 1 2 352.438 2.632 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H](C)C1 ZINC000282461244 510987644 /nfs/dbraw/zinc/98/76/44/510987644.db2.gz QCCDILHAHBIPGL-HNNXBMFYSA-N 1 2 352.438 2.632 20 30 FFEDLO COC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC(C)(C)O1 ZINC000330511454 510989074 /nfs/dbraw/zinc/98/90/74/510989074.db2.gz BXOJETMCWMTOFM-IUODEOHRSA-N 1 2 365.861 2.664 20 30 FFEDLO COC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC(C)(C)O1 ZINC000330511454 510989079 /nfs/dbraw/zinc/98/90/79/510989079.db2.gz BXOJETMCWMTOFM-IUODEOHRSA-N 1 2 365.861 2.664 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(NC(=O)OC(C)(C)C)s2)C1=O ZINC000282473358 510992680 /nfs/dbraw/zinc/99/26/80/510992680.db2.gz LUYZEVXTMZDUIS-CYBMUJFWSA-N 1 2 366.487 2.709 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(NC(=O)OC(C)(C)C)s2)C1=O ZINC000282473358 510992687 /nfs/dbraw/zinc/99/26/87/510992687.db2.gz LUYZEVXTMZDUIS-CYBMUJFWSA-N 1 2 366.487 2.709 20 30 FFEDLO C[C@H]1CC[C@H](NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)CC1 ZINC000330571062 511000172 /nfs/dbraw/zinc/00/01/72/511000172.db2.gz FOPZAUWCJQZAOE-SHTZXODSSA-N 1 2 352.500 2.905 20 30 FFEDLO C#CCC(CC#C)C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000278864477 511011523 /nfs/dbraw/zinc/01/15/23/511011523.db2.gz MKRCUZURPSDTRL-UHFFFAOYSA-N 1 2 357.457 2.923 20 30 FFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC(C)(C)CC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000331344951 511062822 /nfs/dbraw/zinc/06/28/22/511062822.db2.gz VBEJAIXHCIXBDD-CVEARBPZSA-N 1 2 369.918 2.944 20 30 FFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CC(C)(C)CC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000331344951 511062825 /nfs/dbraw/zinc/06/28/25/511062825.db2.gz VBEJAIXHCIXBDD-CVEARBPZSA-N 1 2 369.918 2.944 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000331616862 511069345 /nfs/dbraw/zinc/06/93/45/511069345.db2.gz XITIVJCYNMFCDV-IBGZPJMESA-N 1 2 362.905 2.907 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000331616862 511069351 /nfs/dbraw/zinc/06/93/51/511069351.db2.gz XITIVJCYNMFCDV-IBGZPJMESA-N 1 2 362.905 2.907 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC3CCC(C#N)CC3)CC2)cc1 ZINC000282740016 511094153 /nfs/dbraw/zinc/09/41/53/511094153.db2.gz OTNHIWSMVOWYAM-UHFFFAOYSA-N 1 2 365.481 2.715 20 30 FFEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289892110 511120812 /nfs/dbraw/zinc/12/08/12/511120812.db2.gz MKUNXFBBSPCREA-VIFPVBQESA-N 1 2 359.167 2.791 20 30 FFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289892110 511120818 /nfs/dbraw/zinc/12/08/18/511120818.db2.gz MKUNXFBBSPCREA-VIFPVBQESA-N 1 2 359.167 2.791 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(c3ccccn3)CC2)c1 ZINC000362760939 511234568 /nfs/dbraw/zinc/23/45/68/511234568.db2.gz YPIIESXAEGVATP-UHFFFAOYSA-N 1 2 355.463 2.607 20 30 FFEDLO N#C[C@H]1CN(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CCO1 ZINC000333431109 511241653 /nfs/dbraw/zinc/24/16/53/511241653.db2.gz UMUKLPFREKFMCO-HNNXBMFYSA-N 1 2 351.410 2.643 20 30 FFEDLO Cc1nc(C(C)(C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)no1 ZINC000298340941 511251934 /nfs/dbraw/zinc/25/19/34/511251934.db2.gz DUXNOKZOELHUQP-UHFFFAOYSA-N 1 2 359.455 2.653 20 30 FFEDLO Cn1cc(-c2nc([C@H]3CCCCC[N@@H+]3Cc3cc(C#N)n(C)c3)no2)cn1 ZINC000365256625 511346599 /nfs/dbraw/zinc/34/65/99/511346599.db2.gz OKGNPAMXBLGSIJ-QGZVFWFLSA-N 1 2 365.441 2.798 20 30 FFEDLO Cn1cc(-c2nc([C@H]3CCCCC[N@H+]3Cc3cc(C#N)n(C)c3)no2)cn1 ZINC000365256625 511346602 /nfs/dbraw/zinc/34/66/02/511346602.db2.gz OKGNPAMXBLGSIJ-QGZVFWFLSA-N 1 2 365.441 2.798 20 30 FFEDLO N#CCC[C@H](C#N)C[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000280324415 511422401 /nfs/dbraw/zinc/42/24/01/511422401.db2.gz YXBSEXJFURTOJZ-QGZVFWFLSA-N 1 2 362.433 2.748 20 30 FFEDLO N#CCC[C@H](C#N)C[N@@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000280324415 511422406 /nfs/dbraw/zinc/42/24/06/511422406.db2.gz YXBSEXJFURTOJZ-QGZVFWFLSA-N 1 2 362.433 2.748 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nc(Cc4ccccc4)no3)C2)nc1 ZINC000292097541 511464608 /nfs/dbraw/zinc/46/46/08/511464608.db2.gz GBXYBNKFBWEYKX-QGZVFWFLSA-N 1 2 361.405 2.580 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nc(Cc4ccccc4)no3)C2)nc1 ZINC000292097541 511464611 /nfs/dbraw/zinc/46/46/11/511464611.db2.gz GBXYBNKFBWEYKX-QGZVFWFLSA-N 1 2 361.405 2.580 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1csc2ccccc12 ZINC000272242745 511477611 /nfs/dbraw/zinc/47/76/11/511477611.db2.gz AWMZOLVVZDJIPH-UHFFFAOYSA-N 1 2 358.467 2.981 20 30 FFEDLO NC(=[NH+]OC[C@@H]1CCCS(=O)(=O)C1)c1cccc(Oc2ccccc2)c1 ZINC000283762092 511491338 /nfs/dbraw/zinc/49/13/38/511491338.db2.gz BBRUJGSFZAGAKQ-HNNXBMFYSA-N 1 2 374.462 2.941 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)N2CCC(C)(C#N)CC2)[NH+]2CCOCC2)c1 ZINC000272435027 511493890 /nfs/dbraw/zinc/49/38/90/511493890.db2.gz PYNUFSPPDLXFMT-IBGZPJMESA-N 1 2 370.497 2.704 20 30 FFEDLO C[NH+](C)[C@@H](CNC(=O)N1CCC(C)(C#N)CC1)c1c(F)cccc1F ZINC000272546093 511498686 /nfs/dbraw/zinc/49/86/86/511498686.db2.gz MRZDQICEHBYTDM-HNNXBMFYSA-N 1 2 350.413 2.903 20 30 FFEDLO Cc1cc(Br)cn2cc(CCNC(=O)C3(C#N)CCC3)[nH+]c12 ZINC000273353626 511523014 /nfs/dbraw/zinc/52/30/14/511523014.db2.gz YXKPBUWTAVKUTN-UHFFFAOYSA-N 1 2 361.243 2.758 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000280591959 511523431 /nfs/dbraw/zinc/52/34/31/511523431.db2.gz OADUKOBHKHHMLS-IBGZPJMESA-N 1 2 353.422 2.571 20 30 FFEDLO C=CCCCCNC(=O)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000283940524 511550619 /nfs/dbraw/zinc/55/06/19/511550619.db2.gz FWXADSSAEJFOTJ-UHFFFAOYSA-N 1 2 358.486 2.551 20 30 FFEDLO CC(C)n1cnnc1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000292402381 511583721 /nfs/dbraw/zinc/58/37/21/511583721.db2.gz LIWLWZYAMOPZST-UHFFFAOYSA-N 1 2 372.498 2.741 20 30 FFEDLO CC(C)n1cnnc1C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000292402381 511583727 /nfs/dbraw/zinc/58/37/27/511583727.db2.gz LIWLWZYAMOPZST-UHFFFAOYSA-N 1 2 372.498 2.741 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000296026359 511594167 /nfs/dbraw/zinc/59/41/67/511594167.db2.gz PPZHOJBAELROCQ-QGZVFWFLSA-N 1 2 368.485 2.817 20 30 FFEDLO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H](F)C(F)(F)F ZINC000365677581 511596157 /nfs/dbraw/zinc/59/61/57/511596157.db2.gz PDTZKAGJPRFDSB-UDNWOFFPSA-N 1 2 350.278 2.808 20 30 FFEDLO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C(F)C(F)(F)F ZINC000365677581 511596162 /nfs/dbraw/zinc/59/61/62/511596162.db2.gz PDTZKAGJPRFDSB-UDNWOFFPSA-N 1 2 350.278 2.808 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCC[C@H]3CCCCO3)CC2)cc1 ZINC000273850389 511631618 /nfs/dbraw/zinc/63/16/18/511631618.db2.gz SGZXRRFKRMGJHN-HXUWFJFHSA-N 1 2 370.497 2.735 20 30 FFEDLO CC[C@@H]1CC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000292533639 511633161 /nfs/dbraw/zinc/63/31/61/511633161.db2.gz XGKOYVZFKKSPIZ-CVEARBPZSA-N 1 2 370.497 2.840 20 30 FFEDLO CC[C@@H]1CC[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000292533639 511633167 /nfs/dbraw/zinc/63/31/67/511633167.db2.gz XGKOYVZFKKSPIZ-CVEARBPZSA-N 1 2 370.497 2.840 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCN(c3ncccc3C#N)CC2)c1Cl ZINC000296201736 511654418 /nfs/dbraw/zinc/65/44/18/511654418.db2.gz CDASWMNYUAWALH-UHFFFAOYSA-N 1 2 370.840 2.715 20 30 FFEDLO COc1ccc([NH+]2CCC(Nc3nccc(C#N)c3[N+](=O)[O-])CC2)cc1 ZINC000301615341 511698738 /nfs/dbraw/zinc/69/87/38/511698738.db2.gz BKBMCGNMFCXSRB-UHFFFAOYSA-N 1 2 353.382 2.951 20 30 FFEDLO C#Cc1cccc(NC(=O)CN(C)c2[nH+]cnc3c2cnn3C(C)(C)C)c1 ZINC000301910174 511702695 /nfs/dbraw/zinc/70/26/95/511702695.db2.gz FXSLWSRMRIBLMP-UHFFFAOYSA-N 1 2 362.437 2.638 20 30 FFEDLO C=CCCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1[nH+]ccn1C ZINC000284648870 511807400 /nfs/dbraw/zinc/80/74/00/511807400.db2.gz WBVGAZZFDRNCAS-OAHLLOKOSA-N 1 2 362.474 2.897 20 30 FFEDLO C=CCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000293136440 511853082 /nfs/dbraw/zinc/85/30/82/511853082.db2.gz JMMNPXCVSWMSHS-UHFFFAOYSA-N 1 2 365.437 2.629 20 30 FFEDLO Cn1cc2c(n1)CCC[C@@H]2C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000328639178 511903188 /nfs/dbraw/zinc/90/31/88/511903188.db2.gz DPJBFUIYHPAYNL-FXAWDEMLSA-N 1 2 368.481 2.870 20 30 FFEDLO O=C(C[NH+]1CCN(c2cccnn2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000328689075 511914816 /nfs/dbraw/zinc/91/48/16/511914816.db2.gz CWLMLPCMERWGTH-GOSISDBHSA-N 1 2 351.454 2.633 20 30 FFEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H]2CCC[C@@H]2C)on1 ZINC000328704381 511917280 /nfs/dbraw/zinc/91/72/80/511917280.db2.gz KNUVWKIIOLQCMP-NZUILWFCSA-N 1 2 352.454 2.930 20 30 FFEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H]2CCC[C@@H]2C)on1 ZINC000328704381 511917285 /nfs/dbraw/zinc/91/72/85/511917285.db2.gz KNUVWKIIOLQCMP-NZUILWFCSA-N 1 2 352.454 2.930 20 30 FFEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1coc(C2CCCC2)n1 ZINC000328705059 511917631 /nfs/dbraw/zinc/91/76/31/511917631.db2.gz PCEKJQCLJVLOQZ-GOSISDBHSA-N 1 2 365.499 2.845 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)C[C@@H]1CCCS(=O)(=O)C1)C2 ZINC000328874833 511944163 /nfs/dbraw/zinc/94/41/63/511944163.db2.gz RUKSSNXRLUVDPG-KBPBESRZSA-N 1 2 367.515 2.667 20 30 FFEDLO C[C@@H]1CN(c2ccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)cn2)C[C@H](C)O1 ZINC000328912958 511949187 /nfs/dbraw/zinc/94/91/87/511949187.db2.gz HSDQMKGYWHZJMU-QLFBSQMISA-N 1 2 355.442 2.742 20 30 FFEDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1scnc1C1CC1 ZINC000328913201 511949672 /nfs/dbraw/zinc/94/96/72/511949672.db2.gz HYRCJYKJNOJOKO-INIZCTEOSA-N 1 2 368.528 2.554 20 30 FFEDLO CCc1ccc(CNC(=O)C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)s1 ZINC000328957023 511955462 /nfs/dbraw/zinc/95/54/62/511955462.db2.gz JIMPGMBFNSDSMC-GVDBMIGSSA-N 1 2 352.500 2.629 20 30 FFEDLO CCc1ccc(CNC(=O)C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)s1 ZINC000328957023 511955468 /nfs/dbraw/zinc/95/54/68/511955468.db2.gz JIMPGMBFNSDSMC-GVDBMIGSSA-N 1 2 352.500 2.629 20 30 FFEDLO CN1CCOC[C@H]1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000328959443 511957262 /nfs/dbraw/zinc/95/72/62/511957262.db2.gz OZRNRJXQQKCJAS-INIZCTEOSA-N 1 2 372.494 2.620 20 30 FFEDLO CN1CCOC[C@H]1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000328959443 511957270 /nfs/dbraw/zinc/95/72/70/511957270.db2.gz OZRNRJXQQKCJAS-INIZCTEOSA-N 1 2 372.494 2.620 20 30 FFEDLO O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)N1CCn2cc[nH+]c2C1 ZINC000328958582 511957561 /nfs/dbraw/zinc/95/75/61/511957561.db2.gz ONGQCVFDTMJZDE-LBPRGKRZSA-N 1 2 363.824 2.684 20 30 FFEDLO O=C(NCCC1CCS(=O)(=O)CC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000328984415 511960734 /nfs/dbraw/zinc/96/07/34/511960734.db2.gz GCYRFURYHPQATO-GOSISDBHSA-N 1 2 364.511 2.822 20 30 FFEDLO O=C(NCCC1CCS(=O)(=O)CC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000328984415 511960743 /nfs/dbraw/zinc/96/07/43/511960743.db2.gz GCYRFURYHPQATO-GOSISDBHSA-N 1 2 364.511 2.822 20 30 FFEDLO O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@H]1CCn2cc[nH+]c2C1 ZINC000329188558 512001009 /nfs/dbraw/zinc/00/10/09/512001009.db2.gz BRTSOBULKDVUJQ-MJBXVCDLSA-N 1 2 357.414 2.583 20 30 FFEDLO O=C(CNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12)NCC[NH+]1CCOCC1 ZINC000329191066 512002337 /nfs/dbraw/zinc/00/23/37/512002337.db2.gz RHRNRPXMDLUYII-YESZJQIVSA-N 1 2 351.491 2.838 20 30 FFEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CC(c3nc4ccccc4s3)C2)C1 ZINC000329191210 512002491 /nfs/dbraw/zinc/00/24/91/512002491.db2.gz SDVBVMKBIKDXCN-OAHLLOKOSA-N 1 2 372.494 2.663 20 30 FFEDLO C=CCC[C@@H](C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000275035180 512022291 /nfs/dbraw/zinc/02/22/91/512022291.db2.gz QHZYXIVFRBFHCX-HXUWFJFHSA-N 1 2 368.481 2.904 20 30 FFEDLO C[C@@H]1C[C@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)CC(=O)N1 ZINC000329334517 512029148 /nfs/dbraw/zinc/02/91/48/512029148.db2.gz KSYGSOBZWJNUPJ-RDBSUJKOSA-N 1 2 351.472 2.833 20 30 FFEDLO CC(=O)N1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCC2)c2ccccc21 ZINC000329337711 512029227 /nfs/dbraw/zinc/02/92/27/512029227.db2.gz QABMCLDEFYXEOR-KRWDZBQOSA-N 1 2 357.454 2.696 20 30 FFEDLO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000329344827 512030136 /nfs/dbraw/zinc/03/01/36/512030136.db2.gz ULAMVEXZENZLRV-ZBRFXRBCSA-N 1 2 360.502 2.936 20 30 FFEDLO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000329358326 512033593 /nfs/dbraw/zinc/03/35/93/512033593.db2.gz XBBFYSFQTYVHOZ-NVXWUHKLSA-N 1 2 366.469 2.759 20 30 FFEDLO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000329358326 512033598 /nfs/dbraw/zinc/03/35/98/512033598.db2.gz XBBFYSFQTYVHOZ-NVXWUHKLSA-N 1 2 366.469 2.759 20 30 FFEDLO O=C(Nc1cccc(OCC(F)F)n1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329506055 512059400 /nfs/dbraw/zinc/05/94/00/512059400.db2.gz WTPZOQSHHHPQIQ-CYBMUJFWSA-N 1 2 355.385 2.957 20 30 FFEDLO O=C(Nc1cccc(OCC(F)F)n1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329506055 512059403 /nfs/dbraw/zinc/05/94/03/512059403.db2.gz WTPZOQSHHHPQIQ-CYBMUJFWSA-N 1 2 355.385 2.957 20 30 FFEDLO O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000329665784 512083757 /nfs/dbraw/zinc/08/37/57/512083757.db2.gz QYIBJULPKBKEKU-ZOWXZIJZSA-N 1 2 366.845 2.792 20 30 FFEDLO O=C(C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000329665784 512083762 /nfs/dbraw/zinc/08/37/62/512083762.db2.gz QYIBJULPKBKEKU-ZOWXZIJZSA-N 1 2 366.845 2.792 20 30 FFEDLO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000329668787 512084791 /nfs/dbraw/zinc/08/47/91/512084791.db2.gz SDPPROQRMIZJMU-CTNGQTDRSA-N 1 2 372.513 2.921 20 30 FFEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NC[C@H]2CCCS2)cc1 ZINC000329784091 512097616 /nfs/dbraw/zinc/09/76/16/512097616.db2.gz VRZUXHFKFYHKHE-MSOLQXFVSA-N 1 2 363.527 2.768 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H]1CC=CCC1 ZINC000329896054 512105952 /nfs/dbraw/zinc/10/59/52/512105952.db2.gz CFPSSHVSXZCYFC-XHSDSOJGSA-N 1 2 350.438 2.816 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H]1CC=CCC1 ZINC000329896054 512105953 /nfs/dbraw/zinc/10/59/53/512105953.db2.gz CFPSSHVSXZCYFC-XHSDSOJGSA-N 1 2 350.438 2.816 20 30 FFEDLO O=C(C[N@@H+]1CCO[C@]2(CCOC2)C1)NCc1ccccc1OC1CCCC1 ZINC000329899714 512106119 /nfs/dbraw/zinc/10/61/19/512106119.db2.gz NEVUICKSVOMQKQ-OAQYLSRUSA-N 1 2 374.481 2.956 20 30 FFEDLO O=C(C[N@H+]1CCO[C@]2(CCOC2)C1)NCc1ccccc1OC1CCCC1 ZINC000329899714 512106120 /nfs/dbraw/zinc/10/61/20/512106120.db2.gz NEVUICKSVOMQKQ-OAQYLSRUSA-N 1 2 374.481 2.956 20 30 FFEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000411136044 512484239 /nfs/dbraw/zinc/48/42/39/512484239.db2.gz OEIPZKKIFRBXEW-CQSZACIVSA-N 1 2 350.875 2.929 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000411136044 512484243 /nfs/dbraw/zinc/48/42/43/512484243.db2.gz OEIPZKKIFRBXEW-CQSZACIVSA-N 1 2 350.875 2.929 20 30 FFEDLO Cc1[nH+]c2ccc(C(=O)N3CCC[C@]4(CCCCO4)[C@H]3C#N)cc2n1C ZINC000373760934 512492091 /nfs/dbraw/zinc/49/20/91/512492091.db2.gz YHPBBERXCBMFNR-UYAOXDASSA-N 1 2 352.438 2.949 20 30 FFEDLO C=CCOCCCC(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000375776620 512501054 /nfs/dbraw/zinc/50/10/54/512501054.db2.gz GQZXRCBBPGBODY-UHFFFAOYSA-N 1 2 357.376 2.732 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000373823564 512523125 /nfs/dbraw/zinc/52/31/25/512523125.db2.gz OHTIARGIRCZCGI-ROUUACIJSA-N 1 2 373.840 2.915 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000373823564 512523129 /nfs/dbraw/zinc/52/31/29/512523129.db2.gz OHTIARGIRCZCGI-ROUUACIJSA-N 1 2 373.840 2.915 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000377999030 512543767 /nfs/dbraw/zinc/54/37/67/512543767.db2.gz XRSWSVGSRFSAMF-XLIONFOSSA-N 1 2 353.470 2.765 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000377999030 512543772 /nfs/dbraw/zinc/54/37/72/512543772.db2.gz XRSWSVGSRFSAMF-XLIONFOSSA-N 1 2 353.470 2.765 20 30 FFEDLO C[C@@H](OC(=O)C1CC[NH+](Cc2nccn2C)CC1)c1ccc(C#N)cc1 ZINC000371868953 512611347 /nfs/dbraw/zinc/61/13/47/512611347.db2.gz YYKMATWETGWHHW-OAHLLOKOSA-N 1 2 352.438 2.808 20 30 FFEDLO Cc1cn2c([nH+]1)CN(C(=O)NCCSCc1ccccc1C#N)CC2 ZINC000369981433 512711595 /nfs/dbraw/zinc/71/15/95/512711595.db2.gz CIOKKGKZGUUILZ-UHFFFAOYSA-N 1 2 355.467 2.522 20 30 FFEDLO N#Cc1cc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)ccc1OC(F)(F)F ZINC000374241320 512721620 /nfs/dbraw/zinc/72/16/20/512721620.db2.gz LQXJBTYHOFDQFX-JTQLQIEISA-N 1 2 350.300 2.854 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([NH2+][C@H](CO)c3cccc(Cl)c3F)C2=O)cc1 ZINC000411664633 512744911 /nfs/dbraw/zinc/74/49/11/512744911.db2.gz FCKJWQHINYVCGP-IAGOWNOFSA-N 1 2 373.815 2.779 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)CCC2 ZINC000376414712 512809665 /nfs/dbraw/zinc/80/96/65/512809665.db2.gz ZKCAOQMQEUMOIJ-OAHLLOKOSA-N 1 2 368.441 2.968 20 30 FFEDLO Cc1cc(C#N)nc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000376446483 512822046 /nfs/dbraw/zinc/82/20/46/512822046.db2.gz CASIWMQNNSWKQO-DLBZAZTESA-N 1 2 357.845 2.794 20 30 FFEDLO Cc1cc(C#N)nc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000376446483 512822049 /nfs/dbraw/zinc/82/20/49/512822049.db2.gz CASIWMQNNSWKQO-DLBZAZTESA-N 1 2 357.845 2.794 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000372472827 512893549 /nfs/dbraw/zinc/89/35/49/512893549.db2.gz LMNUEVJORYEHFS-HUUCEWRRSA-N 1 2 370.482 2.558 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000372472827 512893553 /nfs/dbraw/zinc/89/35/53/512893553.db2.gz LMNUEVJORYEHFS-HUUCEWRRSA-N 1 2 370.482 2.558 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000374562904 512894237 /nfs/dbraw/zinc/89/42/37/512894237.db2.gz REYSVQZGUYXPTO-IBGZPJMESA-N 1 2 355.463 2.584 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000374562904 512894239 /nfs/dbraw/zinc/89/42/39/512894239.db2.gz REYSVQZGUYXPTO-IBGZPJMESA-N 1 2 355.463 2.584 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000412043843 512927481 /nfs/dbraw/zinc/92/74/81/512927481.db2.gz PTSPKGAOTUZHOG-DZGCQCFKSA-N 1 2 359.499 2.567 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000412043843 512927486 /nfs/dbraw/zinc/92/74/86/512927486.db2.gz PTSPKGAOTUZHOG-DZGCQCFKSA-N 1 2 359.499 2.567 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](c2nc(C)n[nH]2)C1 ZINC000412043843 512927490 /nfs/dbraw/zinc/92/74/90/512927490.db2.gz PTSPKGAOTUZHOG-DZGCQCFKSA-N 1 2 359.499 2.567 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](c2nc(C)n[nH]2)C1 ZINC000412043843 512927494 /nfs/dbraw/zinc/92/74/94/512927494.db2.gz PTSPKGAOTUZHOG-DZGCQCFKSA-N 1 2 359.499 2.567 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000412043843 512927499 /nfs/dbraw/zinc/92/74/99/512927499.db2.gz PTSPKGAOTUZHOG-DZGCQCFKSA-N 1 2 359.499 2.567 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000412043843 512927502 /nfs/dbraw/zinc/92/75/02/512927502.db2.gz PTSPKGAOTUZHOG-DZGCQCFKSA-N 1 2 359.499 2.567 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368394383 512929376 /nfs/dbraw/zinc/92/93/76/512929376.db2.gz VIZJZTMHCTZKAX-GDBMZVCRSA-N 1 2 374.510 2.923 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368394383 512929381 /nfs/dbraw/zinc/92/93/81/512929381.db2.gz VIZJZTMHCTZKAX-GDBMZVCRSA-N 1 2 374.510 2.923 20 30 FFEDLO Cc1[nH]c(-c2cccc(NC(=O)CNC(=O)c3ccc(C#N)cc3)c2)[nH+]c1C ZINC000372560187 512940835 /nfs/dbraw/zinc/94/08/35/512940835.db2.gz PKIIYTDIMSGGRT-UHFFFAOYSA-N 1 2 373.416 2.934 20 30 FFEDLO CN(CC#Cc1ccc(OC(F)(F)F)cc1)C(C)(C)C[NH+]1CCOCC1 ZINC000412100477 512960973 /nfs/dbraw/zinc/96/09/73/512960973.db2.gz RZWVDQSLPRJABB-UHFFFAOYSA-N 1 2 370.415 2.979 20 30 FFEDLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000407974270 512977785 /nfs/dbraw/zinc/97/77/85/512977785.db2.gz SGNHJECUOFVCPC-KZNAEPCWSA-N 1 2 354.498 2.573 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000376812902 512996836 /nfs/dbraw/zinc/99/68/36/512996836.db2.gz TYPLBUSMZVZGCK-AEFFLSMTSA-N 1 2 359.470 2.968 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)C[C@H](C)C#N ZINC000368846854 513120213 /nfs/dbraw/zinc/12/02/13/513120213.db2.gz UBGOBKJTBXCXQI-QAPCUYQASA-N 1 2 359.470 2.849 20 30 FFEDLO CC[N@H+](CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)C[C@H](C)C#N ZINC000368846854 513120216 /nfs/dbraw/zinc/12/02/16/513120216.db2.gz UBGOBKJTBXCXQI-QAPCUYQASA-N 1 2 359.470 2.849 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCOc1ccc(C#N)cc1 ZINC000428595364 513137019 /nfs/dbraw/zinc/13/70/19/513137019.db2.gz FGPXDEYZLXROPI-UHFFFAOYSA-N 1 2 369.469 2.818 20 30 FFEDLO Cc1nc2[nH]ccc2c(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[nH+]1 ZINC000433783140 513148670 /nfs/dbraw/zinc/14/86/70/513148670.db2.gz NNQKFEXARKLJAF-UHFFFAOYSA-N 1 2 360.421 2.993 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000421251124 513178049 /nfs/dbraw/zinc/17/80/49/513178049.db2.gz PHVVFCXGXPINGW-UHFFFAOYSA-N 1 2 353.422 2.908 20 30 FFEDLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428778679 513188550 /nfs/dbraw/zinc/18/85/50/513188550.db2.gz CSFJTMFEQVZJNU-PKOBYXMFSA-N 1 2 351.406 2.711 20 30 FFEDLO CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428778679 513188557 /nfs/dbraw/zinc/18/85/57/513188557.db2.gz CSFJTMFEQVZJNU-PKOBYXMFSA-N 1 2 351.406 2.711 20 30 FFEDLO C=CCCn1cc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)nn1 ZINC000424639904 513218320 /nfs/dbraw/zinc/21/83/20/513218320.db2.gz HGGARIPHHKBESJ-HNNXBMFYSA-N 1 2 357.433 2.512 20 30 FFEDLO Cc1c(NC(=O)c2ccccc2C[NH+]2CCOCC2)ccc(C#N)c1C#N ZINC000421556292 513306566 /nfs/dbraw/zinc/30/65/66/513306566.db2.gz JOJQZHBGFTXPQQ-UHFFFAOYSA-N 1 2 360.417 2.823 20 30 FFEDLO Cc1c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc(C#N)c1C#N ZINC000421559087 513307041 /nfs/dbraw/zinc/30/70/41/513307041.db2.gz NSUZTMHAROQLNZ-FQEVSTJZSA-N 1 2 360.417 2.578 20 30 FFEDLO Cc1c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc(C#N)c1C#N ZINC000421559087 513307045 /nfs/dbraw/zinc/30/70/45/513307045.db2.gz NSUZTMHAROQLNZ-FQEVSTJZSA-N 1 2 360.417 2.578 20 30 FFEDLO CCC1CCC([NH2+]CCC(=O)Nc2ccc(C#N)cc2)(C(=O)OC)CC1 ZINC000440916746 513436267 /nfs/dbraw/zinc/43/62/67/513436267.db2.gz UDHNBUZFXPLIIO-UHFFFAOYSA-N 1 2 357.454 2.988 20 30 FFEDLO C=CCOc1ccc(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)cc1 ZINC000413276631 513563712 /nfs/dbraw/zinc/56/37/12/513563712.db2.gz CSBJJIAIWIQNIA-DOTOQJQBSA-N 1 2 354.454 2.861 20 30 FFEDLO C=CCOc1ccc(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)cc1 ZINC000413276631 513563717 /nfs/dbraw/zinc/56/37/17/513563717.db2.gz CSBJJIAIWIQNIA-DOTOQJQBSA-N 1 2 354.454 2.861 20 30 FFEDLO CC(C)(C)N1CC[C@@H]([NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1=O ZINC000425438063 513564752 /nfs/dbraw/zinc/56/47/52/513564752.db2.gz AAESUGGXCOYQMA-QZTJIDSGSA-N 1 2 374.916 2.922 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451275443 513644287 /nfs/dbraw/zinc/64/42/87/513644287.db2.gz YKEZYEWDPSEXFQ-VMRPVKRXSA-N 1 2 367.424 2.685 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451275443 513644294 /nfs/dbraw/zinc/64/42/94/513644294.db2.gz YKEZYEWDPSEXFQ-VMRPVKRXSA-N 1 2 367.424 2.685 20 30 FFEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@H]1C ZINC000451358670 513700697 /nfs/dbraw/zinc/70/06/97/513700697.db2.gz JMCPVBLGWXOCNT-OLZOCXBDSA-N 1 2 355.891 2.509 20 30 FFEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@H]1C ZINC000451358670 513700705 /nfs/dbraw/zinc/70/07/05/513700705.db2.gz JMCPVBLGWXOCNT-OLZOCXBDSA-N 1 2 355.891 2.509 20 30 FFEDLO Cc1[nH+]c2cc(CNS(=O)(=O)CC3(CC#N)CC3)ccc2n1C1CC1 ZINC000416481811 513794537 /nfs/dbraw/zinc/79/45/37/513794537.db2.gz WCJSLHJKGWOACE-UHFFFAOYSA-N 1 2 358.467 2.793 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ncc(Br)cn1 ZINC000431085850 513823023 /nfs/dbraw/zinc/82/30/23/513823023.db2.gz LJYLXOYCSWBTAF-MNOVXSKESA-N 1 2 374.242 2.789 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1cccc(C)c1C#N ZINC000443089581 513868807 /nfs/dbraw/zinc/86/88/07/513868807.db2.gz AACRTRAGYHNNNJ-UHFFFAOYSA-N 1 2 354.435 2.503 20 30 FFEDLO C[C@@H](O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(F)F ZINC000451827795 514007733 /nfs/dbraw/zinc/00/77/33/514007733.db2.gz FDVUGMLQZVKYBH-LLVKDONJSA-N 1 2 371.453 2.775 20 30 FFEDLO C[C@@H](O)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(F)F ZINC000451827795 514007740 /nfs/dbraw/zinc/00/77/40/514007740.db2.gz FDVUGMLQZVKYBH-LLVKDONJSA-N 1 2 371.453 2.775 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000451934206 514081137 /nfs/dbraw/zinc/08/11/37/514081137.db2.gz VXCIEYKSPCCFCG-SNVBAGLBSA-N 1 2 372.372 2.833 20 30 FFEDLO Cc1cc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)ccc1C#N ZINC000443966172 514085419 /nfs/dbraw/zinc/08/54/19/514085419.db2.gz RXOOWJRGZDYDSZ-SFHVURJKSA-N 1 2 373.478 2.965 20 30 FFEDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000452004564 514128110 /nfs/dbraw/zinc/12/81/10/514128110.db2.gz BLPMQPJRZYKERY-CQSZACIVSA-N 1 2 365.275 2.556 20 30 FFEDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000452004564 514128119 /nfs/dbraw/zinc/12/81/19/514128119.db2.gz BLPMQPJRZYKERY-CQSZACIVSA-N 1 2 365.275 2.556 20 30 FFEDLO C=CCCCC[C@H](C)[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000449269459 514139439 /nfs/dbraw/zinc/13/94/39/514139439.db2.gz NHQAWITZXKOUGE-ZDUSSCGKSA-N 1 2 371.469 2.572 20 30 FFEDLO CC1(C)C(=O)N(Cc2ccccc2)CCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000449378434 514186756 /nfs/dbraw/zinc/18/67/56/514186756.db2.gz WMCMNTWMCSIBRJ-UHFFFAOYSA-N 1 2 373.460 2.829 20 30 FFEDLO C[C@H](O)[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000414583974 514193652 /nfs/dbraw/zinc/19/36/52/514193652.db2.gz MMAASAQMWSHGOF-HRAATJIYSA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@H](O)[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000414583974 514193656 /nfs/dbraw/zinc/19/36/56/514193656.db2.gz MMAASAQMWSHGOF-HRAATJIYSA-N 1 2 352.434 2.719 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)c2cccc(SCC#N)c2)CCO1 ZINC000432882531 514312329 /nfs/dbraw/zinc/31/23/29/514312329.db2.gz ALKURHYBDVTTQU-RHSMWYFYSA-N 1 2 356.451 2.686 20 30 FFEDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000449746134 514333827 /nfs/dbraw/zinc/33/38/27/514333827.db2.gz QHAAGOFDGIJKBQ-AWEZNQCLSA-N 1 2 354.376 2.813 20 30 FFEDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000449746134 514333834 /nfs/dbraw/zinc/33/38/34/514333834.db2.gz QHAAGOFDGIJKBQ-AWEZNQCLSA-N 1 2 354.376 2.813 20 30 FFEDLO N#Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1C(F)(F)F ZINC000432959397 514335371 /nfs/dbraw/zinc/33/53/71/514335371.db2.gz HSDKSRPFFVIIDK-AWEZNQCLSA-N 1 2 368.359 2.562 20 30 FFEDLO N#Cc1ccc(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1C(F)(F)F ZINC000432959397 514335377 /nfs/dbraw/zinc/33/53/77/514335377.db2.gz HSDKSRPFFVIIDK-AWEZNQCLSA-N 1 2 368.359 2.562 20 30 FFEDLO C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449914621 514421168 /nfs/dbraw/zinc/42/11/68/514421168.db2.gz MIUUSHMTFOBPTI-UGSOOPFHSA-N 1 2 353.382 2.983 20 30 FFEDLO C=CC[N@H+](Cc1nc(-c2ccc(OC)nn2)no1)Cc1ccc(OC)cc1 ZINC000450275879 514575762 /nfs/dbraw/zinc/57/57/62/514575762.db2.gz GQELSTFKWWRIOQ-UHFFFAOYSA-N 1 2 367.409 2.732 20 30 FFEDLO C=CC[N@@H+](Cc1nc(-c2ccc(OC)nn2)no1)Cc1ccc(OC)cc1 ZINC000450275879 514575770 /nfs/dbraw/zinc/57/57/70/514575770.db2.gz GQELSTFKWWRIOQ-UHFFFAOYSA-N 1 2 367.409 2.732 20 30 FFEDLO Cc1cc(C)c(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)c[nH+]1 ZINC000455553448 514587660 /nfs/dbraw/zinc/58/76/60/514587660.db2.gz HKJOUEMTVGZXLH-UHFFFAOYSA-N 1 2 363.465 2.992 20 30 FFEDLO C=CCCCC(=O)N1CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000479517590 514613695 /nfs/dbraw/zinc/61/36/95/514613695.db2.gz PIQYUJDLKASXIS-UHFFFAOYSA-N 1 2 362.470 2.713 20 30 FFEDLO CC1(C)C[C@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000455597411 514619987 /nfs/dbraw/zinc/61/99/87/514619987.db2.gz DCQMIBAPSZFCAN-LJQANCHMSA-N 1 2 370.497 2.591 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2cc(OC)ccc2F)CC1 ZINC000484311068 514627726 /nfs/dbraw/zinc/62/77/26/514627726.db2.gz DVUOOIJQUXZZOU-MRXNPFEDSA-N 1 2 361.461 2.545 20 30 FFEDLO Cc1cc(Br)c(CN(CCC#N)CC[NH+]2CCOCC2)s1 ZINC000453562359 514687408 /nfs/dbraw/zinc/68/74/08/514687408.db2.gz KLVNVYCCEXCRHZ-UHFFFAOYSA-N 1 2 372.332 2.867 20 30 FFEDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455696308 514687472 /nfs/dbraw/zinc/68/74/72/514687472.db2.gz CDHSYKUQTNNODJ-UHFFFAOYSA-N 1 2 350.850 2.638 20 30 FFEDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455696308 514687480 /nfs/dbraw/zinc/68/74/80/514687480.db2.gz CDHSYKUQTNNODJ-UHFFFAOYSA-N 1 2 350.850 2.638 20 30 FFEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471011256 514715792 /nfs/dbraw/zinc/71/57/92/514715792.db2.gz IVEQOZPTELGQOF-QFBILLFUSA-N 1 2 374.916 2.923 20 30 FFEDLO C[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000461757055 514724092 /nfs/dbraw/zinc/72/40/92/514724092.db2.gz PWQFPXWIMBVRGS-LAUBAEHRSA-N 1 2 363.461 2.679 20 30 FFEDLO C[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000461757055 514724098 /nfs/dbraw/zinc/72/40/98/514724098.db2.gz PWQFPXWIMBVRGS-LAUBAEHRSA-N 1 2 363.461 2.679 20 30 FFEDLO CO[C@]1(C)C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000466675359 514725768 /nfs/dbraw/zinc/72/57/68/514725768.db2.gz HCCRAGBOOYSWEE-WIYYLYMNSA-N 1 2 370.497 2.589 20 30 FFEDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCO1 ZINC000455776121 514732420 /nfs/dbraw/zinc/73/24/20/514732420.db2.gz RWTRMIOEFVXVJC-QGZVFWFLSA-N 1 2 374.485 2.968 20 30 FFEDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCO1 ZINC000455776121 514732431 /nfs/dbraw/zinc/73/24/31/514732431.db2.gz RWTRMIOEFVXVJC-QGZVFWFLSA-N 1 2 374.485 2.968 20 30 FFEDLO CCC[C@@H](C(=O)OCC)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000502694109 514741999 /nfs/dbraw/zinc/74/19/99/514741999.db2.gz ZHVAIBWNXTYAKA-IBGZPJMESA-N 1 2 366.465 2.960 20 30 FFEDLO C[C@@H](C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)c1cccc(C#N)c1 ZINC000461793127 514743077 /nfs/dbraw/zinc/74/30/77/514743077.db2.gz AITURUXGLGZAFS-QGZVFWFLSA-N 1 2 373.460 2.654 20 30 FFEDLO Cn1cc[nH+]c1CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000489424810 514841474 /nfs/dbraw/zinc/84/14/74/514841474.db2.gz SMESYXVCYGRXJH-UHFFFAOYSA-N 1 2 352.423 2.661 20 30 FFEDLO O=S(=O)(C1CC[NH+](CC#Cc2ccccc2Cl)CC1)N1CCCC1 ZINC000502958803 514859679 /nfs/dbraw/zinc/85/96/79/514859679.db2.gz ZBDBYQWSDXANMF-UHFFFAOYSA-N 1 2 366.914 2.582 20 30 FFEDLO CCN1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000476019613 514884880 /nfs/dbraw/zinc/88/48/80/514884880.db2.gz GHYVNLKTEOUXBB-KRWDZBQOSA-N 1 2 351.454 2.730 20 30 FFEDLO C=CCn1cccc1C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000489582355 514905339 /nfs/dbraw/zinc/90/53/39/514905339.db2.gz GYNCDAOINWRPJS-UHFFFAOYSA-N 1 2 366.465 2.591 20 30 FFEDLO CCN(C)c1ccc(CNc2ccn(-c3ccc(C#N)cc3F)n2)c[nH+]1 ZINC000480289285 514908441 /nfs/dbraw/zinc/90/84/41/514908441.db2.gz NEBJKYPLAKPNHN-UHFFFAOYSA-N 1 2 350.401 2.768 20 30 FFEDLO CCc1cnccc1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000498691303 515028273 /nfs/dbraw/zinc/02/82/73/515028273.db2.gz CNUTYMPRPXKHDR-UHFFFAOYSA-N 1 2 363.465 2.543 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000453932999 515030567 /nfs/dbraw/zinc/03/05/67/515030567.db2.gz LFVWAUXWYAIQBE-SJORKVTESA-N 1 2 367.405 2.581 20 30 FFEDLO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)c2[nH+]ccn21 ZINC000453987792 515100618 /nfs/dbraw/zinc/10/06/18/515100618.db2.gz XZRHPWOEQUABNQ-GXFFZTMASA-N 1 2 371.466 2.874 20 30 FFEDLO N#CCCC[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000458796627 515103528 /nfs/dbraw/zinc/10/35/28/515103528.db2.gz FAYIGSQIGRLJDL-WOJBJXKFSA-N 1 2 370.497 2.928 20 30 FFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000456352245 515120811 /nfs/dbraw/zinc/12/08/11/515120811.db2.gz LKLREVSPYLNUAG-DOTOQJQBSA-N 1 2 366.469 2.572 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456374622 515139475 /nfs/dbraw/zinc/13/94/75/515139475.db2.gz JQIJOTSFSUFPBY-ZFWWWQNUSA-N 1 2 354.410 2.745 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccnc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000476654726 515144584 /nfs/dbraw/zinc/14/45/84/515144584.db2.gz FPIPUIHPEWKXDE-SJLPKXTDSA-N 1 2 374.366 2.936 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccnc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000476654726 515144593 /nfs/dbraw/zinc/14/45/93/515144593.db2.gz FPIPUIHPEWKXDE-SJLPKXTDSA-N 1 2 374.366 2.936 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)c1ccc(F)c(F)c1 ZINC000477062914 515310450 /nfs/dbraw/zinc/31/04/50/515310450.db2.gz SSLIPRNOXHNTKQ-DYVFJYSZSA-N 1 2 353.413 2.602 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)c1ccc(F)c(F)c1 ZINC000477062914 515310460 /nfs/dbraw/zinc/31/04/60/515310460.db2.gz SSLIPRNOXHNTKQ-DYVFJYSZSA-N 1 2 353.413 2.602 20 30 FFEDLO Cn1c(CC#N)nnc1SCc1cn2cc(Br)ccc2[nH+]1 ZINC000477063293 515311485 /nfs/dbraw/zinc/31/14/85/515311485.db2.gz CLLVODZTSFMTCH-UHFFFAOYSA-N 1 2 363.244 2.584 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)c[nH+]2)C[C@@H](C)O1 ZINC000454322783 515399437 /nfs/dbraw/zinc/39/94/37/515399437.db2.gz NPLRXWUENUCWPD-CBZIJGRNSA-N 1 2 371.485 2.577 20 30 FFEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000491270314 515404585 /nfs/dbraw/zinc/40/45/85/515404585.db2.gz HCIWYXNHLJDUTC-UHFFFAOYSA-N 1 2 373.365 2.586 20 30 FFEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000491270314 515404597 /nfs/dbraw/zinc/40/45/97/515404597.db2.gz HCIWYXNHLJDUTC-UHFFFAOYSA-N 1 2 373.365 2.586 20 30 FFEDLO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)C1 ZINC000459303006 515456912 /nfs/dbraw/zinc/45/69/12/515456912.db2.gz NWFZTLGQLDSFPM-OAHLLOKOSA-N 1 2 370.453 2.937 20 30 FFEDLO C=C(C)CS(=O)(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000477457057 515463213 /nfs/dbraw/zinc/46/32/13/515463213.db2.gz SUJADWKESJQUTF-APWZRJJASA-N 1 2 365.543 2.828 20 30 FFEDLO C=C(C)CS(=O)(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000477457057 515463220 /nfs/dbraw/zinc/46/32/20/515463220.db2.gz SUJADWKESJQUTF-APWZRJJASA-N 1 2 365.543 2.828 20 30 FFEDLO CCOc1cc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)ccc1O ZINC000459345193 515489532 /nfs/dbraw/zinc/48/95/32/515489532.db2.gz AMDQZCFFUITGTC-VFNWGFHPSA-N 1 2 363.417 2.636 20 30 FFEDLO CCOc1cc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)ccc1O ZINC000459345193 515489547 /nfs/dbraw/zinc/48/95/47/515489547.db2.gz AMDQZCFFUITGTC-VFNWGFHPSA-N 1 2 363.417 2.636 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1cc2ccccc2o1 ZINC000482048102 515557589 /nfs/dbraw/zinc/55/75/89/515557589.db2.gz NJFYOAGJTAXLCT-INIZCTEOSA-N 1 2 355.438 2.611 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](CC)c2ccc(Cl)cc2)C1=O ZINC000500023072 515561199 /nfs/dbraw/zinc/56/11/99/515561199.db2.gz FVMKFZMRLWJDND-SJORKVTESA-N 1 2 363.889 2.626 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](CC)c2ccc(Cl)cc2)C1=O ZINC000500023072 515561210 /nfs/dbraw/zinc/56/12/10/515561210.db2.gz FVMKFZMRLWJDND-SJORKVTESA-N 1 2 363.889 2.626 20 30 FFEDLO Cc1cc(N2CCN(C(=O)c3ccc(C#N)s3)CC2)nc(C(C)C)[nH+]1 ZINC000486619757 515565015 /nfs/dbraw/zinc/56/50/15/515565015.db2.gz JFTDICSMNPOMNF-UHFFFAOYSA-N 1 2 355.467 2.804 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)C1=O ZINC000500029185 515565198 /nfs/dbraw/zinc/56/51/98/515565198.db2.gz ZSTXDXMDNCNBQV-FXAWDEMLSA-N 1 2 371.525 2.781 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)C1=O ZINC000500029185 515565209 /nfs/dbraw/zinc/56/52/09/515565209.db2.gz ZSTXDXMDNCNBQV-FXAWDEMLSA-N 1 2 371.525 2.781 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000500028105 515565835 /nfs/dbraw/zinc/56/58/35/515565835.db2.gz WRYVEDGJSKAFBU-IUODEOHRSA-N 1 2 369.387 2.751 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000500028105 515565844 /nfs/dbraw/zinc/56/58/44/515565844.db2.gz WRYVEDGJSKAFBU-IUODEOHRSA-N 1 2 369.387 2.751 20 30 FFEDLO CC[C@H](C)n1ncc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000478281016 515765722 /nfs/dbraw/zinc/76/57/22/515765722.db2.gz NXCSCDPBOASQIT-INIZCTEOSA-N 1 2 365.481 2.992 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC000494266705 515788351 /nfs/dbraw/zinc/78/83/51/515788351.db2.gz AHINCPKZTOEJCZ-UHFFFAOYSA-N 1 2 374.666 2.546 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1cc(Br)ccc1Cl ZINC000494266705 515788358 /nfs/dbraw/zinc/78/83/58/515788358.db2.gz AHINCPKZTOEJCZ-UHFFFAOYSA-N 1 2 374.666 2.546 20 30 FFEDLO C=CCCO[C@H](C)C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCCCC1 ZINC000473922608 515803766 /nfs/dbraw/zinc/80/37/66/515803766.db2.gz VXOLDSVUVVZVLM-OAHLLOKOSA-N 1 2 364.490 2.778 20 30 FFEDLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccn(C)n1 ZINC000459803994 515818236 /nfs/dbraw/zinc/81/82/36/515818236.db2.gz ZUGQGCQGDMQNAQ-UONOGXRCSA-N 1 2 357.483 2.961 20 30 FFEDLO Cc1cc(C(=O)NCc2cn3c(cccc3C)[nH+]2)nn1-c1cccc(C#N)c1 ZINC000506332357 515850638 /nfs/dbraw/zinc/85/06/38/515850638.db2.gz NMYQCGUSRFXDRI-UHFFFAOYSA-N 1 2 370.416 2.939 20 30 FFEDLO Cc1cc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)ncc1C#N ZINC000457510683 515930492 /nfs/dbraw/zinc/93/04/92/515930492.db2.gz CIHBQMJLMONMPM-HNNXBMFYSA-N 1 2 352.413 2.920 20 30 FFEDLO Cc1cc(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)ncc1C#N ZINC000457510686 515931705 /nfs/dbraw/zinc/93/17/05/515931705.db2.gz CIHBQMJLMONMPM-OAHLLOKOSA-N 1 2 352.413 2.920 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN([C@@H]3CCCN(c4ccccc4)C3=O)CC2)cc1 ZINC000501101748 515981323 /nfs/dbraw/zinc/98/13/23/515981323.db2.gz JLKYUYARJCMDIC-JOCHJYFZSA-N 1 2 374.488 2.871 20 30 FFEDLO N#Cc1ccc(CN2CC[NH+]([C@@H]3CCCN(c4ccccc4)C3=O)CC2)cc1 ZINC000501101748 515981331 /nfs/dbraw/zinc/98/13/31/515981331.db2.gz JLKYUYARJCMDIC-JOCHJYFZSA-N 1 2 374.488 2.871 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000483283770 516017131 /nfs/dbraw/zinc/01/71/31/516017131.db2.gz JAQFFLAJNFICQB-OAHLLOKOSA-N 1 2 370.884 2.826 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000483283770 516017140 /nfs/dbraw/zinc/01/71/40/516017140.db2.gz JAQFFLAJNFICQB-OAHLLOKOSA-N 1 2 370.884 2.826 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000469999895 516070043 /nfs/dbraw/zinc/07/00/43/516070043.db2.gz OMUASEQOGQPBRY-OAHLLOKOSA-N 1 2 363.808 2.858 20 30 FFEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 ZINC000507275313 516151179 /nfs/dbraw/zinc/15/11/79/516151179.db2.gz BKQGSUZPIDSIBI-UHFFFAOYSA-N 1 2 374.444 2.876 20 30 FFEDLO Cc1cc(C[NH+]2CCN(Cc3noc(C(C)(C)C)n3)CC2)ccc1C#N ZINC000488223722 516164626 /nfs/dbraw/zinc/16/46/26/516164626.db2.gz QTAXGAXWCBGDNR-UHFFFAOYSA-N 1 2 353.470 2.865 20 30 FFEDLO N#Cc1ccc(OC2C[NH+](CCC(=O)Nc3cc(F)cc(F)c3)C2)cc1 ZINC000460580693 516195473 /nfs/dbraw/zinc/19/54/73/516195473.db2.gz JWCJZAVSLXKPMT-UHFFFAOYSA-N 1 2 357.360 2.928 20 30 FFEDLO C[C@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H](c2ccccc2)O1 ZINC000528358653 516375650 /nfs/dbraw/zinc/37/56/50/516375650.db2.gz MJISKYPHXCHASU-UWJYYQICSA-N 1 2 374.440 2.748 20 30 FFEDLO C[C@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H](c2ccccc2)O1 ZINC000528358653 516375657 /nfs/dbraw/zinc/37/56/57/516375657.db2.gz MJISKYPHXCHASU-UWJYYQICSA-N 1 2 374.440 2.748 20 30 FFEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC(C)(C)[C@H]2c2cccs2)CC1 ZINC000554309336 516376338 /nfs/dbraw/zinc/37/63/38/516376338.db2.gz QDBNFANXOUAMND-QFBILLFUSA-N 1 2 374.554 2.823 20 30 FFEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC(C)(C)[C@H]2c2cccs2)CC1 ZINC000554309336 516376344 /nfs/dbraw/zinc/37/63/44/516376344.db2.gz QDBNFANXOUAMND-QFBILLFUSA-N 1 2 374.554 2.823 20 30 FFEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc(C#N)cc1Br ZINC000557696790 516389690 /nfs/dbraw/zinc/38/96/90/516389690.db2.gz JGAVRQJWTHHESO-JSGCOSHPSA-N 1 2 350.260 2.620 20 30 FFEDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CC2 ZINC000540045857 516415884 /nfs/dbraw/zinc/41/58/84/516415884.db2.gz YVFHIGNHJRIGQQ-UHFFFAOYSA-N 1 2 374.400 2.953 20 30 FFEDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CC2 ZINC000540045857 516415889 /nfs/dbraw/zinc/41/58/89/516415889.db2.gz YVFHIGNHJRIGQQ-UHFFFAOYSA-N 1 2 374.400 2.953 20 30 FFEDLO Cc1cc(N2CC[NH+](CC(=O)Nc3ccc(Cl)cc3)CC2)cc(C#N)n1 ZINC000561277529 516496517 /nfs/dbraw/zinc/49/65/17/516496517.db2.gz VKEIZEZBHRUOER-UHFFFAOYSA-N 1 2 369.856 2.676 20 30 FFEDLO Cc1ccc(Cc2noc(-c3ccc(-n4ncc(C#N)c4N)cc3)n2)c[nH+]1 ZINC000544177915 516626662 /nfs/dbraw/zinc/62/66/62/516626662.db2.gz XMEYQJXRPJCJEJ-UHFFFAOYSA-N 1 2 357.377 2.670 20 30 FFEDLO N#Cc1cc(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)ccc1F ZINC000532090638 516794586 /nfs/dbraw/zinc/79/45/86/516794586.db2.gz OONZHPJWVPPQBQ-UHFFFAOYSA-N 1 2 367.424 2.786 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](CC)Cc2cnn(C)c2)cc1 ZINC000514005996 516829341 /nfs/dbraw/zinc/82/93/41/516829341.db2.gz XOCNGHPPRJODDU-UHFFFAOYSA-N 1 2 369.469 2.588 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](CC)Cc2cnn(C)c2)cc1 ZINC000514005996 516829349 /nfs/dbraw/zinc/82/93/49/516829349.db2.gz XOCNGHPPRJODDU-UHFFFAOYSA-N 1 2 369.469 2.588 20 30 FFEDLO COc1cc[nH+]cc1CNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000562051267 516895301 /nfs/dbraw/zinc/89/53/01/516895301.db2.gz KBSFIOBNJWVFNS-UHFFFAOYSA-N 1 2 361.405 2.797 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C)C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541156641 516904711 /nfs/dbraw/zinc/90/47/11/516904711.db2.gz JXOBQBVNSSBSTM-FSBGKCOPSA-N 1 2 354.376 2.698 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C)C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541156641 516904720 /nfs/dbraw/zinc/90/47/20/516904720.db2.gz JXOBQBVNSSBSTM-FSBGKCOPSA-N 1 2 354.376 2.698 20 30 FFEDLO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3nc(C#N)cs3)cc2)C[C@H](C)O1 ZINC000562078510 516910581 /nfs/dbraw/zinc/91/05/81/516910581.db2.gz KEUGPBZSHRUHDS-OKILXGFUSA-N 1 2 370.478 2.554 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000555461959 516936024 /nfs/dbraw/zinc/93/60/24/516936024.db2.gz FTEBMLSVQKDZDK-GOSISDBHSA-N 1 2 372.494 2.776 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](CC(=O)C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000544882530 516975097 /nfs/dbraw/zinc/97/50/97/516975097.db2.gz ZXQCJKZFBRXPMH-UHFFFAOYSA-N 1 2 364.493 2.861 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccc(F)cc3F)CC2)cc1 ZINC000532467363 516991580 /nfs/dbraw/zinc/99/15/80/516991580.db2.gz PRQHDCWKBZFDNE-UHFFFAOYSA-N 1 2 370.403 2.593 20 30 FFEDLO C(#CC[N@@H+]1CCCC[C@H]1c1cc[nH]n1)CN1CCCC[C@H]1c1cc[nH]n1 ZINC000551980743 517006208 /nfs/dbraw/zinc/00/62/08/517006208.db2.gz SKUWULUPVWVNLR-PMACEKPBSA-N 1 2 352.486 2.890 20 30 FFEDLO C(#CC[N@H+]1CCCC[C@H]1c1cc[nH]n1)CN1CCCC[C@H]1c1cc[nH]n1 ZINC000551980743 517006219 /nfs/dbraw/zinc/00/62/19/517006219.db2.gz SKUWULUPVWVNLR-PMACEKPBSA-N 1 2 352.486 2.890 20 30 FFEDLO C[S@@](=O)C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000541611164 517139675 /nfs/dbraw/zinc/13/96/75/517139675.db2.gz OPOVLVRTEJOZMT-MRDQGFSESA-N 1 2 366.446 2.818 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H](CCc2ccccc2)C(C)C)c1C#N ZINC000562518970 517160232 /nfs/dbraw/zinc/16/02/32/517160232.db2.gz QGTLBENLUSAUAD-KRWDZBQOSA-N 1 2 367.497 2.699 20 30 FFEDLO N#Cc1ccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000519783488 517180255 /nfs/dbraw/zinc/18/02/55/517180255.db2.gz FFFVJDXHDPKOJF-GFCCVEGCSA-N 1 2 360.215 2.654 20 30 FFEDLO C=C1CC[NH+](CC(=O)Nc2c(C(=O)OCC)cnn2-c2ccccc2)CC1 ZINC000532958210 517223483 /nfs/dbraw/zinc/22/34/83/517223483.db2.gz GMAHISSESJDBML-UHFFFAOYSA-N 1 2 368.437 2.640 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(Br)cc1 ZINC000533089682 517288273 /nfs/dbraw/zinc/28/82/73/517288273.db2.gz BYDHQTODMLHNBZ-SWLSCSKDSA-N 1 2 359.227 2.589 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc2ccsc21 ZINC000533102162 517296077 /nfs/dbraw/zinc/29/60/77/517296077.db2.gz IHCAGWSYEZWMNF-UHFFFAOYSA-N 1 2 358.467 2.981 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc1Cl ZINC000562704066 517319386 /nfs/dbraw/zinc/31/93/86/517319386.db2.gz BXPDMNTWBWKAIL-UHFFFAOYSA-N 1 2 370.840 2.715 20 30 FFEDLO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000520551065 517433343 /nfs/dbraw/zinc/43/33/43/517433343.db2.gz ANKXNQKVGQLQCB-HNNXBMFYSA-N 1 2 356.451 2.805 20 30 FFEDLO Cc1ncccc1OC[C@@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000520551065 517433353 /nfs/dbraw/zinc/43/33/53/517433353.db2.gz ANKXNQKVGQLQCB-HNNXBMFYSA-N 1 2 356.451 2.805 20 30 FFEDLO Cc1c[nH+]c2cc(C(=O)NC3(c4ccc(C#N)cc4)CCOCC3)ccn12 ZINC000530060109 517530374 /nfs/dbraw/zinc/53/03/74/517530374.db2.gz RDUGBFIWBMHHRX-UHFFFAOYSA-N 1 2 360.417 2.950 20 30 FFEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(C(N)=O)c(N4CCCCC4)c3)n2c1 ZINC000549406787 517549464 /nfs/dbraw/zinc/54/94/64/517549464.db2.gz QESJUUYWZWZDMI-UHFFFAOYSA-N 1 2 374.448 2.907 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)n1 ZINC000546214913 517601128 /nfs/dbraw/zinc/60/11/28/517601128.db2.gz WRDXOKYQGWPSPH-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](C)c2ccon2)c1C#N ZINC000542647453 517666630 /nfs/dbraw/zinc/66/66/30/517666630.db2.gz HFEUHNDYEVIXBM-CYBMUJFWSA-N 1 2 367.409 2.895 20 30 FFEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000553453993 517721451 /nfs/dbraw/zinc/72/14/51/517721451.db2.gz OQYNFBHYOXCPER-UHFFFAOYSA-N 1 2 365.441 2.658 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(Cl)s1 ZINC000516598659 517760565 /nfs/dbraw/zinc/76/05/65/517760565.db2.gz CNADRTGZIBTPFI-UHFFFAOYSA-N 1 2 369.899 2.964 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(Cl)s1 ZINC000516598659 517760575 /nfs/dbraw/zinc/76/05/75/517760575.db2.gz CNADRTGZIBTPFI-UHFFFAOYSA-N 1 2 369.899 2.964 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000553523033 517760597 /nfs/dbraw/zinc/76/05/97/517760597.db2.gz CEEGJJHSIVJNDO-MAUKXSAKSA-N 1 2 367.428 2.525 20 30 FFEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000527672263 517834994 /nfs/dbraw/zinc/83/49/94/517834994.db2.gz GJGOOXJJAVPDGD-UHFFFAOYSA-N 1 2 359.470 2.678 20 30 FFEDLO C=CCCS(=O)(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542984313 517853433 /nfs/dbraw/zinc/85/34/33/517853433.db2.gz KYZRIXWYRWJCNF-HOCLYGCPSA-N 1 2 362.417 2.735 20 30 FFEDLO C=CCCS(=O)(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542984313 517853438 /nfs/dbraw/zinc/85/34/38/517853438.db2.gz KYZRIXWYRWJCNF-HOCLYGCPSA-N 1 2 362.417 2.735 20 30 FFEDLO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c2[nH+]ccn21 ZINC000521824282 517861675 /nfs/dbraw/zinc/86/16/75/517861675.db2.gz QJYVXJMFAZDZPM-IVMMDQJWSA-N 1 2 353.401 2.542 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543021758 517867598 /nfs/dbraw/zinc/86/75/98/517867598.db2.gz PLDWMWSIHNNWFM-YJBOKZPZSA-N 1 2 374.366 2.936 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543021758 517867605 /nfs/dbraw/zinc/86/76/05/517867605.db2.gz PLDWMWSIHNNWFM-YJBOKZPZSA-N 1 2 374.366 2.936 20 30 FFEDLO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000516942431 517929772 /nfs/dbraw/zinc/92/97/72/517929772.db2.gz SUTJSOYJMNLMGG-AWEZNQCLSA-N 1 2 360.401 2.976 20 30 FFEDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000516942431 517929780 /nfs/dbraw/zinc/92/97/80/517929780.db2.gz SUTJSOYJMNLMGG-AWEZNQCLSA-N 1 2 360.401 2.976 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000543352346 518039274 /nfs/dbraw/zinc/03/92/74/518039274.db2.gz REYWQYVVVRMARX-UHFFFAOYSA-N 1 2 369.425 2.602 20 30 FFEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000564019069 518271226 /nfs/dbraw/zinc/27/12/26/518271226.db2.gz UYLKXSFNFREHFG-MRXNPFEDSA-N 1 2 357.454 2.941 20 30 FFEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000564019069 518271227 /nfs/dbraw/zinc/27/12/27/518271227.db2.gz UYLKXSFNFREHFG-MRXNPFEDSA-N 1 2 357.454 2.941 20 30 FFEDLO C=CCn1c(CC)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000581560428 518346683 /nfs/dbraw/zinc/34/66/83/518346683.db2.gz QYXJVTLICLWJDC-HNNXBMFYSA-N 1 2 361.515 2.598 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)c(Cl)c1OC ZINC000567174613 518390389 /nfs/dbraw/zinc/39/03/89/518390389.db2.gz PIEYPTKFRZHVMN-UHFFFAOYSA-N 1 2 372.856 2.946 20 30 FFEDLO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000576024339 518392053 /nfs/dbraw/zinc/39/20/53/518392053.db2.gz WGMLOCMNTDKOQY-UHFFFAOYSA-N 1 2 368.393 2.554 20 30 FFEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000576024339 518392061 /nfs/dbraw/zinc/39/20/61/518392061.db2.gz WGMLOCMNTDKOQY-UHFFFAOYSA-N 1 2 368.393 2.554 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1C#N ZINC000584550138 518393376 /nfs/dbraw/zinc/39/33/76/518393376.db2.gz CVTOIMIOABBVHP-OAHLLOKOSA-N 1 2 374.441 2.553 20 30 FFEDLO Cc1sc(NC(=O)C[NH+]2CCC(c3ccncn3)CC2)c(C#N)c1C ZINC000572939179 518428482 /nfs/dbraw/zinc/42/84/82/518428482.db2.gz YLIWWQWFENYTKG-UHFFFAOYSA-N 1 2 355.467 2.845 20 30 FFEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc1NC(=O)c1cccs1 ZINC000573005259 518461653 /nfs/dbraw/zinc/46/16/53/518461653.db2.gz JKVKHDKHCPPZEF-LJQANCHMSA-N 1 2 370.478 2.883 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(S(=O)(=O)CCC3CCCC3)CC2)cc1 ZINC000576311951 518529924 /nfs/dbraw/zinc/52/99/24/518529924.db2.gz ZWFCVYIIMCOUKW-UHFFFAOYSA-N 1 2 361.511 2.586 20 30 FFEDLO N#Cc1cccc(NC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000576344503 518547224 /nfs/dbraw/zinc/54/72/24/518547224.db2.gz TYTZAYBLHXZHTG-UHFFFAOYSA-N 1 2 355.829 2.956 20 30 FFEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000573263055 518582874 /nfs/dbraw/zinc/58/28/74/518582874.db2.gz QGMWBYLDUZXQRR-INIZCTEOSA-N 1 2 356.474 2.832 20 30 FFEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000573263055 518582877 /nfs/dbraw/zinc/58/28/77/518582877.db2.gz QGMWBYLDUZXQRR-INIZCTEOSA-N 1 2 356.474 2.832 20 30 FFEDLO CC(C)[N@@H+]1CC[C@@H](NCc2ncc(C#N)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000579333977 518631720 /nfs/dbraw/zinc/63/17/20/518631720.db2.gz SZDIQOFZPHKMKK-IEBWSBKVSA-N 1 2 357.408 2.940 20 30 FFEDLO CC(C)[N@H+]1CC[C@@H](NCc2ncc(C#N)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000579333977 518631724 /nfs/dbraw/zinc/63/17/24/518631724.db2.gz SZDIQOFZPHKMKK-IEBWSBKVSA-N 1 2 357.408 2.940 20 30 FFEDLO N#Cc1nccc(Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)n1 ZINC000573386123 518640079 /nfs/dbraw/zinc/64/00/79/518640079.db2.gz SXFWUUAIUQPIRU-UHFFFAOYSA-N 1 2 363.450 2.676 20 30 FFEDLO COc1ccc(C#N)cc1NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000582368360 518719934 /nfs/dbraw/zinc/71/99/34/518719934.db2.gz GIICOVFKWXWBQS-LLVKDONJSA-N 1 2 352.316 2.975 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000567995238 518822762 /nfs/dbraw/zinc/82/27/62/518822762.db2.gz FPDYEQCWJLUFRO-GOSISDBHSA-N 1 2 356.451 2.574 20 30 FFEDLO CCCOc1c(Cl)cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1OC ZINC000582641296 518850571 /nfs/dbraw/zinc/85/05/71/518850571.db2.gz FZTQROFPMBGINO-QGZVFWFLSA-N 1 2 353.850 2.711 20 30 FFEDLO N#Cc1cccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000589259685 518967066 /nfs/dbraw/zinc/96/70/66/518967066.db2.gz GPSLLKPKEIDKEC-UHFFFAOYSA-N 1 2 374.366 2.930 20 30 FFEDLO COc1cc2c(cc1C[NH+]1CCN(c3cnccc3C#N)CC1)O[C@H](C)C2 ZINC000568347090 518991142 /nfs/dbraw/zinc/99/11/42/518991142.db2.gz LMJWKZZNKZBTKG-OAHLLOKOSA-N 1 2 364.449 2.607 20 30 FFEDLO N#CCc1ccc(CNC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000565713291 519096036 /nfs/dbraw/zinc/09/60/36/519096036.db2.gz AWRZRDNHSRAJAJ-UHFFFAOYSA-N 1 2 366.440 2.919 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000590053310 519137100 /nfs/dbraw/zinc/13/71/00/519137100.db2.gz XIJQKTGKTGFLOC-UHFFFAOYSA-N 1 2 364.478 2.862 20 30 FFEDLO Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc12 ZINC000580386639 519146595 /nfs/dbraw/zinc/14/65/95/519146595.db2.gz HQIJZLKIOFXDMS-IBGZPJMESA-N 1 2 367.478 2.969 20 30 FFEDLO N#Cc1c2c(cnc1NC[C@@H](c1cccs1)[NH+]1CCOCC1)CCC2 ZINC000571553750 519154787 /nfs/dbraw/zinc/15/47/87/519154787.db2.gz PIBOWOMIQQLCAS-KRWDZBQOSA-N 1 2 354.479 2.989 20 30 FFEDLO Cc1nn(-c2ccccc2)cc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000574467717 519168509 /nfs/dbraw/zinc/16/85/09/519168509.db2.gz DOUWMRAMOCNFLH-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000580453390 519184216 /nfs/dbraw/zinc/18/42/16/519184216.db2.gz XQHJXJKYHHKOOP-KRWDZBQOSA-N 1 2 350.488 2.615 20 30 FFEDLO CC[C@@H]1Cc2ccccc2C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000574556014 519213830 /nfs/dbraw/zinc/21/38/30/519213830.db2.gz SDHQMDGKNISQPC-GOSISDBHSA-N 1 2 355.463 2.564 20 30 FFEDLO CC[C@@H]1Cc2ccccc2C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000574556014 519213836 /nfs/dbraw/zinc/21/38/36/519213836.db2.gz SDHQMDGKNISQPC-GOSISDBHSA-N 1 2 355.463 2.564 20 30 FFEDLO C=CCCCCCNC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000565959142 519217037 /nfs/dbraw/zinc/21/70/37/519217037.db2.gz JLSBTCPBXVELST-VQIMIIECSA-N 1 2 360.502 2.972 20 30 FFEDLO C[C@@H](C[NH+]1CCN(C)CC1)Nc1cc(Br)c(C#N)cc1F ZINC000565962814 519219063 /nfs/dbraw/zinc/21/90/63/519219063.db2.gz WFVDWVUMMDVSTL-NSHDSACASA-N 1 2 355.255 2.508 20 30 FFEDLO C=CCC[C@@H](NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000571791785 519277117 /nfs/dbraw/zinc/27/71/17/519277117.db2.gz GBKMUBAKHMQOHW-GOSISDBHSA-N 1 2 366.465 2.939 20 30 FFEDLO C=CCC[C@@H](NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000571791785 519277124 /nfs/dbraw/zinc/27/71/24/519277124.db2.gz GBKMUBAKHMQOHW-GOSISDBHSA-N 1 2 366.465 2.939 20 30 FFEDLO COc1cc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)ccc1C#N ZINC000580743660 519332606 /nfs/dbraw/zinc/33/26/06/519332606.db2.gz IBOVRJQHDNJQKF-UHFFFAOYSA-N 1 2 364.854 2.914 20 30 FFEDLO C[C@H](CC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)n1cc[nH+]c1 ZINC000572004475 519393199 /nfs/dbraw/zinc/39/31/99/519393199.db2.gz GPXUHOPUSDGXOU-MRXNPFEDSA-N 1 2 374.448 2.603 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1Br ZINC000590841887 519397141 /nfs/dbraw/zinc/39/71/41/519397141.db2.gz DHKCVOQSCHNIST-BXUZGUMPSA-N 1 2 359.227 2.589 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2ncc(C#N)cn2)C[C@H]1c1ccccc1 ZINC000583932412 519506661 /nfs/dbraw/zinc/50/66/61/519506661.db2.gz MDHXLGPGRJTUOU-ZWKOTPCHSA-N 1 2 364.449 2.906 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2ncc(C#N)cn2)C[C@H]1c1ccccc1 ZINC000583932412 519506666 /nfs/dbraw/zinc/50/66/66/519506666.db2.gz MDHXLGPGRJTUOU-ZWKOTPCHSA-N 1 2 364.449 2.906 20 30 FFEDLO N#Cc1csc(C[NH2+][C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)n1 ZINC000583963955 519519682 /nfs/dbraw/zinc/51/96/82/519519682.db2.gz LCMGYLDYEMXPTJ-NSHDSACASA-N 1 2 366.368 2.929 20 30 FFEDLO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857023 519928981 /nfs/dbraw/zinc/92/89/81/519928981.db2.gz NXWYFPRLYOCUIY-YQQAZPJKSA-N 1 2 360.527 2.502 20 30 FFEDLO CC[C@H](NC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000602855482 519929906 /nfs/dbraw/zinc/92/99/06/519929906.db2.gz HERXNQXFEGYOCB-RKVPGOIHSA-N 1 2 362.905 2.825 20 30 FFEDLO COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858984 519931174 /nfs/dbraw/zinc/93/11/74/519931174.db2.gz DFJBFAHQXJESSE-KBPBESRZSA-N 1 2 364.877 2.514 20 30 FFEDLO C[C@H](NC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000602862730 519934087 /nfs/dbraw/zinc/93/40/87/519934087.db2.gz NQILHAOBPBJTQZ-BZSNNMDCSA-N 1 2 364.493 2.935 20 30 FFEDLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602861848 519934309 /nfs/dbraw/zinc/93/43/09/519934309.db2.gz MDUOJMGIPKHYSE-SCTDSRPQSA-N 1 2 372.513 2.571 20 30 FFEDLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602861848 519934315 /nfs/dbraw/zinc/93/43/15/519934315.db2.gz MDUOJMGIPKHYSE-SCTDSRPQSA-N 1 2 372.513 2.571 20 30 FFEDLO CC(C)c1n[nH]c(CC2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)n1 ZINC000602864241 519935433 /nfs/dbraw/zinc/93/54/33/519935433.db2.gz NOEVUOCUPCCZHR-UHFFFAOYSA-N 1 2 366.469 2.693 20 30 FFEDLO CC(C)c1nnc(CC2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)[nH]1 ZINC000602864241 519935437 /nfs/dbraw/zinc/93/54/37/519935437.db2.gz NOEVUOCUPCCZHR-UHFFFAOYSA-N 1 2 366.469 2.693 20 30 FFEDLO CC(C)c1nc(CC2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)n[nH]1 ZINC000602864241 519935443 /nfs/dbraw/zinc/93/54/43/519935443.db2.gz NOEVUOCUPCCZHR-UHFFFAOYSA-N 1 2 366.469 2.693 20 30 FFEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000602865209 519936494 /nfs/dbraw/zinc/93/64/94/519936494.db2.gz URZOHUAGEMVBGA-AWEZNQCLSA-N 1 2 371.462 2.944 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(Oc3ccccc3F)CC2)cc1 ZINC000602950208 519988869 /nfs/dbraw/zinc/98/88/69/519988869.db2.gz ZAMQNNKSTXDQFX-LJQANCHMSA-N 1 2 353.397 2.767 20 30 FFEDLO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCC[C@H]1C#N ZINC000602980311 520006122 /nfs/dbraw/zinc/00/61/22/520006122.db2.gz OLWZWVVGIRDHIL-RDJZCZTQSA-N 1 2 363.383 2.797 20 30 FFEDLO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCC[C@H]1C#N ZINC000602980311 520006130 /nfs/dbraw/zinc/00/61/30/520006130.db2.gz OLWZWVVGIRDHIL-RDJZCZTQSA-N 1 2 363.383 2.797 20 30 FFEDLO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2cccc(CC#N)c2)n1 ZINC000594582637 520037471 /nfs/dbraw/zinc/03/74/71/520037471.db2.gz PNOFHHCSVLMJST-UHFFFAOYSA-N 1 2 364.496 2.852 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccnc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000603127637 520094518 /nfs/dbraw/zinc/09/45/18/520094518.db2.gz USJDMJZSCDPCED-IRXDYDNUSA-N 1 2 357.364 2.798 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)Nc2ccnc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000603127637 520094528 /nfs/dbraw/zinc/09/45/28/520094528.db2.gz USJDMJZSCDPCED-IRXDYDNUSA-N 1 2 357.364 2.798 20 30 FFEDLO N#Cc1ccc(NCC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000608895714 520157528 /nfs/dbraw/zinc/15/75/28/520157528.db2.gz JJPACKCFABRELP-DAXSKMNVSA-N 1 2 360.461 2.828 20 30 FFEDLO COCc1cc(C#N)ccc1N1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000603274123 520191731 /nfs/dbraw/zinc/19/17/31/520191731.db2.gz ODVLWGIWMSLMTM-UHFFFAOYSA-N 1 2 361.449 2.675 20 30 FFEDLO C[C@H](NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000592144857 520221360 /nfs/dbraw/zinc/22/13/60/520221360.db2.gz JSXKRMNPEHFVPT-MEDUHNTESA-N 1 2 356.253 2.521 20 30 FFEDLO C[C@H](NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000592144857 520221370 /nfs/dbraw/zinc/22/13/70/520221370.db2.gz JSXKRMNPEHFVPT-MEDUHNTESA-N 1 2 356.253 2.521 20 30 FFEDLO CCCCOc1ccc(-c2nnc(C[N@@H+]3CC[C@@](O)(CC#N)C3)o2)cc1 ZINC000592147749 520223488 /nfs/dbraw/zinc/22/34/88/520223488.db2.gz RVWFUFHMZNXIGC-IBGZPJMESA-N 1 2 356.426 2.766 20 30 FFEDLO CCCCOc1ccc(-c2nnc(C[N@H+]3CC[C@@](O)(CC#N)C3)o2)cc1 ZINC000592147749 520223490 /nfs/dbraw/zinc/22/34/90/520223490.db2.gz RVWFUFHMZNXIGC-IBGZPJMESA-N 1 2 356.426 2.766 20 30 FFEDLO Cc1ccc(C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC2CC2)cn1 ZINC000592145522 520224004 /nfs/dbraw/zinc/22/40/04/520224004.db2.gz ULXKUADZPXBBEV-UHFFFAOYSA-N 1 2 369.490 2.948 20 30 FFEDLO Cc1ccc(C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC2CC2)cn1 ZINC000592145522 520224012 /nfs/dbraw/zinc/22/40/12/520224012.db2.gz ULXKUADZPXBBEV-UHFFFAOYSA-N 1 2 369.490 2.948 20 30 FFEDLO C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149872 520227192 /nfs/dbraw/zinc/22/71/92/520227192.db2.gz YNGRYODWOUTBFT-KZULUSFZSA-N 1 2 374.441 2.627 20 30 FFEDLO C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149872 520227198 /nfs/dbraw/zinc/22/71/98/520227198.db2.gz YNGRYODWOUTBFT-KZULUSFZSA-N 1 2 374.441 2.627 20 30 FFEDLO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CC[C@](O)(CC#N)C2)o1 ZINC000592148610 520227433 /nfs/dbraw/zinc/22/74/33/520227433.db2.gz XOWFMVMYXDNNRY-LJQANCHMSA-N 1 2 365.393 2.551 20 30 FFEDLO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CC[C@](O)(CC#N)C2)o1 ZINC000592148610 520227441 /nfs/dbraw/zinc/22/74/41/520227441.db2.gz XOWFMVMYXDNNRY-LJQANCHMSA-N 1 2 365.393 2.551 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N[C@H](c2ccccc2)C(C)C)CC1 ZINC000609484324 520327871 /nfs/dbraw/zinc/32/78/71/520327871.db2.gz AKMQBIXJSAMMRI-FPOVZHCZSA-N 1 2 356.514 2.666 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N(C)[C@H]2CCCc3ccccc32)CC1 ZINC000609539016 520349154 /nfs/dbraw/zinc/34/91/54/520349154.db2.gz PXQXJNZDLZWEHO-SFTDATJTSA-N 1 2 368.525 2.688 20 30 FFEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000609615601 520380196 /nfs/dbraw/zinc/38/01/96/520380196.db2.gz GOSHJFVOEGTWCO-DOMZBBRYSA-N 1 2 350.344 2.844 20 30 FFEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN([C@H](C#N)c3ccccc3)CC2)n1 ZINC000595336681 520414407 /nfs/dbraw/zinc/41/44/07/520414407.db2.gz PZDKKSYPAHPWEW-NVXWUHKLSA-N 1 2 355.442 2.550 20 30 FFEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN([C@H](C#N)c3ccccc3)CC2)n1 ZINC000595336681 520414417 /nfs/dbraw/zinc/41/44/17/520414417.db2.gz PZDKKSYPAHPWEW-NVXWUHKLSA-N 1 2 355.442 2.550 20 30 FFEDLO CSc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1Br ZINC000600747569 520444477 /nfs/dbraw/zinc/44/44/77/520444477.db2.gz QBWZZHVFEGGMIZ-GFCCVEGCSA-N 1 2 358.305 2.789 20 30 FFEDLO CSc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1Br ZINC000600747569 520444479 /nfs/dbraw/zinc/44/44/79/520444479.db2.gz QBWZZHVFEGGMIZ-GFCCVEGCSA-N 1 2 358.305 2.789 20 30 FFEDLO Cn1c[nH+]c(CN2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)c1 ZINC000595407350 520450325 /nfs/dbraw/zinc/45/03/25/520450325.db2.gz MRTZRWFZHXJENC-KRWDZBQOSA-N 1 2 374.286 2.565 20 30 FFEDLO CCN(CC)c1ccc(CNC(=O)NCCc2ccc(C#N)cc2)c[nH+]1 ZINC000595455317 520481046 /nfs/dbraw/zinc/48/10/46/520481046.db2.gz MITBDYKDOOJMBJ-UHFFFAOYSA-N 1 2 351.454 2.841 20 30 FFEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3C[C@@H]4CCCC[C@@H]4NC3=O)CC2)c(Cl)c1 ZINC000595463806 520487486 /nfs/dbraw/zinc/48/74/86/520487486.db2.gz AAMZPOXFXCVWFY-VDZJLULYSA-N 1 2 372.900 2.781 20 30 FFEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CCCC[C@@H]4NC3=O)CC2)c(Cl)c1 ZINC000595463803 520487984 /nfs/dbraw/zinc/48/79/84/520487984.db2.gz AAMZPOXFXCVWFY-HHXXYDBFSA-N 1 2 372.900 2.781 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000598262655 520525405 /nfs/dbraw/zinc/52/54/05/520525405.db2.gz NHBZQHXUJQLJKL-UHFFFAOYSA-N 1 2 350.426 2.941 20 30 FFEDLO COCc1sccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000600946632 520551297 /nfs/dbraw/zinc/55/12/97/520551297.db2.gz VNRQQDUKHHPLHN-UHFFFAOYSA-N 1 2 355.463 2.724 20 30 FFEDLO N#CC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCCC1 ZINC000598316018 520553035 /nfs/dbraw/zinc/55/30/35/520553035.db2.gz FROYPUJLHALBBX-UHFFFAOYSA-N 1 2 353.382 2.984 20 30 FFEDLO COC(=O)c1ccc2c(c1)C[N@@H+](CCOc1ccc(C#N)cc1OC)C2 ZINC000610133075 520554080 /nfs/dbraw/zinc/55/40/80/520554080.db2.gz JEEQCEONXZNEOD-UHFFFAOYSA-N 1 2 352.390 2.748 20 30 FFEDLO COC(=O)c1ccc2c(c1)C[N@H+](CCOc1ccc(C#N)cc1OC)C2 ZINC000610133075 520554088 /nfs/dbraw/zinc/55/40/88/520554088.db2.gz JEEQCEONXZNEOD-UHFFFAOYSA-N 1 2 352.390 2.748 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595616572 520597072 /nfs/dbraw/zinc/59/70/72/520597072.db2.gz MSIXKGABCAOIRX-SFHVURJKSA-N 1 2 371.481 2.690 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595616572 520597077 /nfs/dbraw/zinc/59/70/77/520597077.db2.gz MSIXKGABCAOIRX-SFHVURJKSA-N 1 2 371.481 2.690 20 30 FFEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](c2nccs2)c2ccccc2)C1 ZINC000595621128 520599377 /nfs/dbraw/zinc/59/93/77/520599377.db2.gz UESSLPDAYIUWSO-MAUKXSAKSA-N 1 2 354.479 2.974 20 30 FFEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)N[C@@H](c2nccs2)c2ccccc2)C1 ZINC000595621128 520599380 /nfs/dbraw/zinc/59/93/80/520599380.db2.gz UESSLPDAYIUWSO-MAUKXSAKSA-N 1 2 354.479 2.974 20 30 FFEDLO C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633586 520611036 /nfs/dbraw/zinc/61/10/36/520611036.db2.gz PIJAPHXARRTUMZ-HNNXBMFYSA-N 1 2 354.479 2.793 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000595660759 520629063 /nfs/dbraw/zinc/62/90/63/520629063.db2.gz VZIDDYWOTHSEIN-ZDUSSCGKSA-N 1 2 369.296 2.876 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCC3)OC[C@@H]2C)cc1 ZINC000595674894 520638069 /nfs/dbraw/zinc/63/80/69/520638069.db2.gz MFSKXLNHYNSGBD-KRWDZBQOSA-N 1 2 371.481 2.975 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC3(CCC3)OC[C@@H]2C)cc1 ZINC000595674894 520638074 /nfs/dbraw/zinc/63/80/74/520638074.db2.gz MFSKXLNHYNSGBD-KRWDZBQOSA-N 1 2 371.481 2.975 20 30 FFEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N[C@H](C)c3ccc(C#N)cc3)ccc2n1C ZINC000610375682 520657170 /nfs/dbraw/zinc/65/71/70/520657170.db2.gz VYZLAGXJMDZXPN-GFCCVEGCSA-N 1 2 361.405 2.569 20 30 FFEDLO Cc1nnc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)o1 ZINC000595704186 520662936 /nfs/dbraw/zinc/66/29/36/520662936.db2.gz JHDAQRINPXIIMV-NSHDSACASA-N 1 2 373.482 2.897 20 30 FFEDLO Cc1nnc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)o1 ZINC000595704186 520662942 /nfs/dbraw/zinc/66/29/42/520662942.db2.gz JHDAQRINPXIIMV-NSHDSACASA-N 1 2 373.482 2.897 20 30 FFEDLO Cc1noc(C(F)F)c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000610420883 520674486 /nfs/dbraw/zinc/67/44/86/520674486.db2.gz NUHVZEOPFBGHRB-UHFFFAOYSA-N 1 2 360.364 2.750 20 30 FFEDLO N#Cc1cccc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000601239910 520703376 /nfs/dbraw/zinc/70/33/76/520703376.db2.gz SGGBLDPFACBCCD-UHFFFAOYSA-N 1 2 353.451 2.828 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595759995 520703792 /nfs/dbraw/zinc/70/37/92/520703792.db2.gz YMIKRFDNKYTRIC-QHRIQVFBSA-N 1 2 359.495 2.672 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595759995 520703800 /nfs/dbraw/zinc/70/38/00/520703800.db2.gz YMIKRFDNKYTRIC-QHRIQVFBSA-N 1 2 359.495 2.672 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCOC[C@@H]2c2cccc(F)c2)cc1 ZINC000595758266 520704627 /nfs/dbraw/zinc/70/46/27/520704627.db2.gz HFEYCZDHOQDVJR-PZJWPPBQSA-N 1 2 370.424 2.705 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@@H]2c2cccc(F)c2)cc1 ZINC000595758266 520704633 /nfs/dbraw/zinc/70/46/33/520704633.db2.gz HFEYCZDHOQDVJR-PZJWPPBQSA-N 1 2 370.424 2.705 20 30 FFEDLO CC1(C)[C@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(F)F ZINC000595799954 520735127 /nfs/dbraw/zinc/73/51/27/520735127.db2.gz OFRGFDBHAFYEBW-INIZCTEOSA-N 1 2 362.424 2.677 20 30 FFEDLO COCCN(CCC#N)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000610557770 520737392 /nfs/dbraw/zinc/73/73/92/520737392.db2.gz KDQBQBYCYPMOEI-CALCHBBNSA-N 1 2 374.485 2.690 20 30 FFEDLO COCCN(CCC#N)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000610557770 520737404 /nfs/dbraw/zinc/73/74/04/520737404.db2.gz KDQBQBYCYPMOEI-CALCHBBNSA-N 1 2 374.485 2.690 20 30 FFEDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2C[C@@H](O)CC(C)(C)C#N)n1 ZINC000598608088 520740107 /nfs/dbraw/zinc/74/01/07/520740107.db2.gz FEEPUCAYENTRET-GXTWGEPZSA-N 1 2 351.472 2.757 20 30 FFEDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)n1 ZINC000598608088 520740112 /nfs/dbraw/zinc/74/01/12/520740112.db2.gz FEEPUCAYENTRET-GXTWGEPZSA-N 1 2 351.472 2.757 20 30 FFEDLO COc1nc(C)cc(C)c1C[N@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000598650682 520762490 /nfs/dbraw/zinc/76/24/90/520762490.db2.gz VXRRFPWBLIZWII-LJQANCHMSA-N 1 2 364.449 2.816 20 30 FFEDLO COc1nc(C)cc(C)c1C[N@@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000598650682 520762497 /nfs/dbraw/zinc/76/24/97/520762497.db2.gz VXRRFPWBLIZWII-LJQANCHMSA-N 1 2 364.449 2.816 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CNc3cccc(Cl)c3)CC2)cc1 ZINC000610655919 520780919 /nfs/dbraw/zinc/78/09/19/520780919.db2.gz QFFLIBZJSOUYFK-UHFFFAOYSA-N 1 2 368.868 2.968 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@H](CC(F)(F)F)O1 ZINC000595888710 520795945 /nfs/dbraw/zinc/79/59/45/520795945.db2.gz FQNIBDJHDHZSGD-KMFMINBZSA-N 1 2 372.387 2.534 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@H](CC(F)(F)F)O1 ZINC000595888710 520795952 /nfs/dbraw/zinc/79/59/52/520795952.db2.gz FQNIBDJHDHZSGD-KMFMINBZSA-N 1 2 372.387 2.534 20 30 FFEDLO C=CCCSCCNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601620156 520869434 /nfs/dbraw/zinc/86/94/34/520869434.db2.gz JCKKJJGXYDMOEV-UHFFFAOYSA-N 1 2 366.556 2.743 20 30 FFEDLO C[C@H](C(=O)N[C@H](C#N)c1ccccc1Br)[NH+]1CCSCC1 ZINC000611012962 520946010 /nfs/dbraw/zinc/94/60/10/520946010.db2.gz QEFTYMMAXMWXEQ-BXUZGUMPSA-N 1 2 368.300 2.567 20 30 FFEDLO C[C@H](C(=O)N[C@@H](C#N)c1ccccc1Br)[NH+]1CCSCC1 ZINC000611012964 520946504 /nfs/dbraw/zinc/94/65/04/520946504.db2.gz QEFTYMMAXMWXEQ-RISCZKNCSA-N 1 2 368.300 2.567 20 30 FFEDLO COc1ccc(C[NH+]2CCN(C(=O)NCC3(C#N)CCCC3)CC2)cc1F ZINC000593426103 520986606 /nfs/dbraw/zinc/98/66/06/520986606.db2.gz ZYEBAQDZUMTMPP-UHFFFAOYSA-N 1 2 374.460 2.745 20 30 FFEDLO N#C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1Br ZINC000593467799 521012839 /nfs/dbraw/zinc/01/28/39/521012839.db2.gz CZPANODLHMRYFI-HNNXBMFYSA-N 1 2 373.254 2.905 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000593621128 521112211 /nfs/dbraw/zinc/11/22/11/521112211.db2.gz NVBWSVPJGYFZPF-BZUAXINKSA-N 1 2 373.478 2.823 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000593621128 521112217 /nfs/dbraw/zinc/11/22/17/521112217.db2.gz NVBWSVPJGYFZPF-BZUAXINKSA-N 1 2 373.478 2.823 20 30 FFEDLO CCc1[nH+]c2ccccc2n1Cc1noc(CC2(C#N)CCOCC2)n1 ZINC000596593783 521152791 /nfs/dbraw/zinc/15/27/91/521152791.db2.gz RTPWLDIBMQXOPB-UHFFFAOYSA-N 1 2 351.410 2.893 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)oc1C ZINC000611552591 521214972 /nfs/dbraw/zinc/21/49/72/521214972.db2.gz DXAKRBPSRCUIEK-IBGZPJMESA-N 1 2 371.412 2.896 20 30 FFEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000611551468 521215463 /nfs/dbraw/zinc/21/54/63/521215463.db2.gz QPHCUHOWYDVCDB-LJQANCHMSA-N 1 2 367.424 2.979 20 30 FFEDLO CCCN(CCC)C(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551945 521215892 /nfs/dbraw/zinc/21/58/92/521215892.db2.gz XVMIRFIVLWCGRH-IBGZPJMESA-N 1 2 360.477 2.657 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000596699992 521232065 /nfs/dbraw/zinc/23/20/65/521232065.db2.gz VZSGWGIZADNAPM-GJZGRUSLSA-N 1 2 360.458 2.576 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000596699992 521232071 /nfs/dbraw/zinc/23/20/71/521232071.db2.gz VZSGWGIZADNAPM-GJZGRUSLSA-N 1 2 360.458 2.576 20 30 FFEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599455531 521238452 /nfs/dbraw/zinc/23/84/52/521238452.db2.gz QZCIEAZMPYTZJX-LZQZEXGQSA-N 1 2 362.445 2.659 20 30 FFEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599455531 521238465 /nfs/dbraw/zinc/23/84/65/521238465.db2.gz QZCIEAZMPYTZJX-LZQZEXGQSA-N 1 2 362.445 2.659 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)cc1 ZINC000596729893 521249899 /nfs/dbraw/zinc/24/98/99/521249899.db2.gz KUDNHPOTQLRRAR-IAQYHMDHSA-N 1 2 359.227 2.658 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Br)cc1 ZINC000596729893 521249903 /nfs/dbraw/zinc/24/99/03/521249903.db2.gz KUDNHPOTQLRRAR-IAQYHMDHSA-N 1 2 359.227 2.658 20 30 FFEDLO C[C@H]1C[NH+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H](C)C1(F)F ZINC000599512598 521270363 /nfs/dbraw/zinc/27/03/63/521270363.db2.gz LFRSUZLCSZRRFB-KBPBESRZSA-N 1 2 373.407 2.906 20 30 FFEDLO C=CCn1c(Sc2cc(-n3cc[nH+]c3)ncn2)nnc1-c1cccnc1 ZINC000607142884 521274877 /nfs/dbraw/zinc/27/48/77/521274877.db2.gz MHTVABLMPNRUJI-UHFFFAOYSA-N 1 2 362.422 2.653 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1 ZINC000602335094 521287598 /nfs/dbraw/zinc/28/75/98/521287598.db2.gz UQMQTMRGMLFNQU-HYVNUMGLSA-N 1 2 364.287 2.687 20 30 FFEDLO COC(=O)[C@]1([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCCC(C)(C)C1 ZINC000599559868 521299967 /nfs/dbraw/zinc/29/99/67/521299967.db2.gz XITLTBKMKRNFSO-UWJYYQICSA-N 1 2 374.481 2.594 20 30 FFEDLO C[C@H]1C[N@H+](CC(=O)Nc2sccc2C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599590917 521314375 /nfs/dbraw/zinc/31/43/75/521314375.db2.gz SHTPIKDFZPVMDN-JSGCOSHPSA-N 1 2 363.483 2.858 20 30 FFEDLO C[C@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599590917 521314383 /nfs/dbraw/zinc/31/43/83/521314383.db2.gz SHTPIKDFZPVMDN-JSGCOSHPSA-N 1 2 363.483 2.858 20 30 FFEDLO COc1cccc(OC)c1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000602446194 521351370 /nfs/dbraw/zinc/35/13/70/521351370.db2.gz XUMCRZXXVQOJCG-UHFFFAOYSA-N 1 2 368.437 2.763 20 30 FFEDLO Cc1cn2c([nH+]1)CN(C(=O)CSc1nc(C)c(C)c(C)c1C#N)CC2 ZINC000611893151 521384482 /nfs/dbraw/zinc/38/44/82/521384482.db2.gz XEDGZSJNLKKOJP-UHFFFAOYSA-N 1 2 355.467 2.518 20 30 FFEDLO CCOc1cccc(CNC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599679615 521394166 /nfs/dbraw/zinc/39/41/66/521394166.db2.gz VTQDKIAKPUELHG-UHFFFAOYSA-N 1 2 363.461 2.826 20 30 FFEDLO CCOc1cccc(CNC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599679615 521394174 /nfs/dbraw/zinc/39/41/74/521394174.db2.gz VTQDKIAKPUELHG-UHFFFAOYSA-N 1 2 363.461 2.826 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(Cl)cc4c3OCC4)CC2)nc1 ZINC000611952479 521406416 /nfs/dbraw/zinc/40/64/16/521406416.db2.gz WLRNHOCCTXXLFR-UHFFFAOYSA-N 1 2 354.841 2.864 20 30 FFEDLO COC(=O)C1C[C@H](C)[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000599696568 521408431 /nfs/dbraw/zinc/40/84/31/521408431.db2.gz PIPGCYKHJGCRHT-QWRGUYRKSA-N 1 2 363.483 2.837 20 30 FFEDLO CN1CCO[C@H]([C@H]([NH2+]Cc2cccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000602579243 521421209 /nfs/dbraw/zinc/42/12/09/521421209.db2.gz IJLQRBGPNGAVCJ-RBUKOAKNSA-N 1 2 356.857 2.768 20 30 FFEDLO C[N@@H+]1CCO[C@H]([C@H](NCc2cccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000602579243 521421214 /nfs/dbraw/zinc/42/12/14/521421214.db2.gz IJLQRBGPNGAVCJ-RBUKOAKNSA-N 1 2 356.857 2.768 20 30 FFEDLO C[N@H+]1CCO[C@H]([C@H](NCc2cccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000602579243 521421217 /nfs/dbraw/zinc/42/12/17/521421217.db2.gz IJLQRBGPNGAVCJ-RBUKOAKNSA-N 1 2 356.857 2.768 20 30 FFEDLO COc1cc(OC)cc([C@H](NCc2cccc(C#N)n2)c2[nH+]ccn2C)c1 ZINC000602593195 521428923 /nfs/dbraw/zinc/42/89/23/521428923.db2.gz NKCUHGUSUAMVMC-IBGZPJMESA-N 1 2 363.421 2.583 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@](F)(C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000615547377 521438741 /nfs/dbraw/zinc/43/87/41/521438741.db2.gz JEYRLKPXKULPNF-UXLLHSPISA-N 1 2 368.815 2.871 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)N2CC[C@](F)(C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000615547377 521438749 /nfs/dbraw/zinc/43/87/49/521438749.db2.gz JEYRLKPXKULPNF-UXLLHSPISA-N 1 2 368.815 2.871 20 30 FFEDLO N#Cc1ccc(C2(NC(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CCC2)cc1 ZINC000594232409 521496150 /nfs/dbraw/zinc/49/61/50/521496150.db2.gz GKBVJEHUBQIYLM-GOSISDBHSA-N 1 2 361.449 2.911 20 30 FFEDLO COc1ccc(-c2noc(CN3CC[NH+](CC4(CC#N)CC4)CC3)n2)cc1 ZINC000602761308 521517254 /nfs/dbraw/zinc/51/72/54/521517254.db2.gz WQUBQVQKSRGGCS-UHFFFAOYSA-N 1 2 367.453 2.557 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@@]2(CCOC2)O1 ZINC000619516226 521604696 /nfs/dbraw/zinc/60/46/96/521604696.db2.gz GVIPCWQZWXYRRQ-CRAIPNDOSA-N 1 2 352.381 2.930 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@@]2(CCOC2)O1 ZINC000619516226 521604701 /nfs/dbraw/zinc/60/47/01/521604701.db2.gz GVIPCWQZWXYRRQ-CRAIPNDOSA-N 1 2 352.381 2.930 20 30 FFEDLO COc1cc[nH+]c(CN2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1OC ZINC000616113611 521623823 /nfs/dbraw/zinc/62/38/23/521623823.db2.gz BXJSCHKWZCGEFD-SFHVURJKSA-N 1 2 370.428 2.620 20 30 FFEDLO N#Cc1ccc(OCC(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)cc1 ZINC000619778384 521866054 /nfs/dbraw/zinc/86/60/54/521866054.db2.gz VTZJTEQCPMHVCH-GOSISDBHSA-N 1 2 355.825 2.764 20 30 FFEDLO N#Cc1ccc(NCC(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)cc1 ZINC000619778498 521866213 /nfs/dbraw/zinc/86/62/13/521866213.db2.gz XOSZPTAKPKHNRM-GOSISDBHSA-N 1 2 354.841 2.797 20 30 FFEDLO C=CCCn1cc(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)nn1 ZINC000626075580 521913201 /nfs/dbraw/zinc/91/32/01/521913201.db2.gz NILBPJXKLFFSKO-UHFFFAOYSA-N 1 2 350.470 2.653 20 30 FFEDLO C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000635261294 522097190 /nfs/dbraw/zinc/09/71/90/522097190.db2.gz WRYOQKAUOCAPMD-UHFFFAOYSA-N 1 2 373.497 2.566 20 30 FFEDLO C=CCn1cc(C[NH2+]Cc2cc(OC)c(Br)cc2F)nn1 ZINC000631163500 523428825 /nfs/dbraw/zinc/42/88/25/523428825.db2.gz QDBIULYVCBULSO-UHFFFAOYSA-N 1 2 355.211 2.664 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1OC ZINC000628247471 523439018 /nfs/dbraw/zinc/43/90/18/523439018.db2.gz CIPBVSGGBUJTLA-VBQJREDUSA-N 1 2 364.873 2.999 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1OC ZINC000628247471 523439030 /nfs/dbraw/zinc/43/90/30/523439030.db2.gz CIPBVSGGBUJTLA-VBQJREDUSA-N 1 2 364.873 2.999 20 30 FFEDLO C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000625628243 523581723 /nfs/dbraw/zinc/58/17/23/523581723.db2.gz KLKCABKJXBHLPC-MRXNPFEDSA-N 1 2 372.513 2.644 20 30 FFEDLO C=CCNC(=O)c1ccc(NCc2ccc(N3CCCCC3)[nH+]c2)nc1 ZINC000493076463 561454405 /nfs/dbraw/zinc/45/44/05/561454405.db2.gz DNVNUOQWRZSLPO-UHFFFAOYSA-N 1 2 351.454 2.995 20 30 FFEDLO Cc1cc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)ncc1C#N ZINC000603119425 553712453 /nfs/dbraw/zinc/71/24/53/553712453.db2.gz LAQITXSBTXBFEU-OAHLLOKOSA-N 1 2 350.426 2.567 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)c1C#N ZINC000530261245 562404524 /nfs/dbraw/zinc/40/45/24/562404524.db2.gz IMESFINDDFFBAZ-HUUCEWRRSA-N 1 2 355.417 2.705 20 30 FFEDLO C[C@@H]1C[N@H+](CCNc2nc3c(c(C#N)c2C#N)CCCCCC3)CCO1 ZINC000530369815 562408571 /nfs/dbraw/zinc/40/85/71/562408571.db2.gz ABGXMXYJJIGMJH-OAHLLOKOSA-N 1 2 353.470 2.617 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNc2nc3c(c(C#N)c2C#N)CCCCCC3)CCO1 ZINC000530369815 562408572 /nfs/dbraw/zinc/40/85/72/562408572.db2.gz ABGXMXYJJIGMJH-OAHLLOKOSA-N 1 2 353.470 2.617 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCCN(C(=O)[O-])C3)CC2)cc1 ZINC000833971746 606007830 /nfs/dbraw/zinc/00/78/30/606007830.db2.gz MIZFCHGARCKBIN-LJQANCHMSA-N 1 2 356.470 2.645 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCCN3C(=O)[O-])CC2)cc1 ZINC000833972288 606007986 /nfs/dbraw/zinc/00/79/86/606007986.db2.gz YXPFSSCBLLIBQY-LJQANCHMSA-N 1 2 356.470 2.645 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@@H]3CCN(C(=O)[O-])C3)CC2)cc1 ZINC000833971472 606008184 /nfs/dbraw/zinc/00/81/84/606008184.db2.gz HFCJBRADJMXGDM-GOSISDBHSA-N 1 2 356.470 2.502 20 30 FFEDLO C(=NNc1cc[nH+]c2ccccc12)c1c[nH]c2ccc(-c3nn[nH]n3)cc12 ZINC000819718441 607147962 /nfs/dbraw/zinc/14/79/62/607147962.db2.gz HFNOCXAZTLPUIU-UHFFFAOYSA-N 1 2 354.377 2.764 20 30 FFEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(OC)cc(C)[nH+]1 ZINC000823914415 607940493 /nfs/dbraw/zinc/94/04/93/607940493.db2.gz IJFAWYAMQVWROR-UHFFFAOYSA-N 1 2 350.426 2.767 20 30 FFEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(OC)cc(C)n1 ZINC000823914415 607940494 /nfs/dbraw/zinc/94/04/94/607940494.db2.gz IJFAWYAMQVWROR-UHFFFAOYSA-N 1 2 350.426 2.767 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(OC)cc(C)n1 ZINC000823914415 607940495 /nfs/dbraw/zinc/94/04/95/607940495.db2.gz IJFAWYAMQVWROR-UHFFFAOYSA-N 1 2 350.426 2.767 20 30 FFEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc(C#N)cc2Cl)CC1 ZINC001164916800 721813025 /nfs/dbraw/zinc/81/30/25/721813025.db2.gz JQHFJFFBYOBTNB-UHFFFAOYSA-N 1 2 356.861 2.553 20 30 FFEDLO N#CCOc1cccc(CC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000089602326 728444173 /nfs/dbraw/zinc/44/41/73/728444173.db2.gz UEQVOPUJGBBDFM-UHFFFAOYSA-N 1 2 355.463 2.537 20 30 FFEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)cc1 ZINC000093416496 728475975 /nfs/dbraw/zinc/47/59/75/728475975.db2.gz SWMBODXZCYYHBM-CYBMUJFWSA-N 1 2 359.367 2.995 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(C3=NC[C@H](C)S3)CC2)cc1OC ZINC000093663085 728477092 /nfs/dbraw/zinc/47/70/92/728477092.db2.gz VIKWWPMWJKHMNM-HNNXBMFYSA-N 1 2 361.511 2.869 20 30 FFEDLO C#Cc1cccc(N(C)CC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000103146279 728494546 /nfs/dbraw/zinc/49/45/46/728494546.db2.gz HSYOASGXBFASIP-UHFFFAOYSA-N 1 2 353.491 2.510 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@]2(C)CCCS2)CC1=O ZINC000121204218 728622084 /nfs/dbraw/zinc/62/20/84/728622084.db2.gz UIKCCVCHCMBPHR-IBGZPJMESA-N 1 2 356.495 2.932 20 30 FFEDLO C=CCCS(=O)(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000125961471 728690298 /nfs/dbraw/zinc/69/02/98/728690298.db2.gz ZUULHFWMCDPVED-QFBILLFUSA-N 1 2 365.543 2.828 20 30 FFEDLO C=CCCS(=O)(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000125961471 728690299 /nfs/dbraw/zinc/69/02/99/728690299.db2.gz ZUULHFWMCDPVED-QFBILLFUSA-N 1 2 365.543 2.828 20 30 FFEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000186102407 729360657 /nfs/dbraw/zinc/36/06/57/729360657.db2.gz KJZWFADGUNJOHC-AWEZNQCLSA-N 1 2 359.898 2.624 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000186102407 729360662 /nfs/dbraw/zinc/36/06/62/729360662.db2.gz KJZWFADGUNJOHC-AWEZNQCLSA-N 1 2 359.898 2.624 20 30 FFEDLO C#CC[C@H](COC)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000858321321 730422631 /nfs/dbraw/zinc/42/26/31/730422631.db2.gz YXLZARAKSPUTIG-XOKHGSTOSA-N 1 2 367.852 2.562 20 30 FFEDLO C#CC[C@H](COC)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000858321321 730422633 /nfs/dbraw/zinc/42/26/33/730422633.db2.gz YXLZARAKSPUTIG-XOKHGSTOSA-N 1 2 367.852 2.562 20 30 FFEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000866745438 731094676 /nfs/dbraw/zinc/09/46/76/731094676.db2.gz XAHAXDIRPOHVOY-AWEZNQCLSA-N 1 2 370.881 2.768 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000652113069 731167226 /nfs/dbraw/zinc/16/72/26/731167226.db2.gz OQNPYQSIHYCWPM-YUELXQCFSA-N 1 2 350.488 2.840 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000652113069 731167228 /nfs/dbraw/zinc/16/72/28/731167228.db2.gz OQNPYQSIHYCWPM-YUELXQCFSA-N 1 2 350.488 2.840 20 30 FFEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc(C)c1C#N ZINC000867681071 731212898 /nfs/dbraw/zinc/21/28/98/731212898.db2.gz XARTWABMLRQJDC-UHFFFAOYSA-N 1 2 359.451 2.884 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)nn1 ZINC000653672290 731283033 /nfs/dbraw/zinc/28/30/33/731283033.db2.gz JBUGEZAECCNNFZ-INIZCTEOSA-N 1 2 365.275 2.614 20 30 FFEDLO C[C@@H](SCc1ccc(C#N)o1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000871709202 731669943 /nfs/dbraw/zinc/66/99/43/731669943.db2.gz ZRSPQBPIYJIRFV-CQSZACIVSA-N 1 2 356.451 2.517 20 30 FFEDLO CCCC[C@@H](ON=C(C)C)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000780980448 738591895 /nfs/dbraw/zinc/59/18/95/738591895.db2.gz KIHQJKGEXYESFH-QZTJIDSGSA-N 1 2 353.507 2.671 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878159506 732491034 /nfs/dbraw/zinc/49/10/34/732491034.db2.gz MWFAFQNMAPWQOE-QGZVFWFLSA-N 1 2 372.296 2.575 20 30 FFEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC000880326165 732891368 /nfs/dbraw/zinc/89/13/68/732891368.db2.gz DVDAVPSEVMOARF-QWHCGFSZSA-N 1 2 352.456 2.535 20 30 FFEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC000880326165 732891373 /nfs/dbraw/zinc/89/13/73/732891373.db2.gz DVDAVPSEVMOARF-QWHCGFSZSA-N 1 2 352.456 2.535 20 30 FFEDLO C#CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1 ZINC000880482126 732913942 /nfs/dbraw/zinc/91/39/42/732913942.db2.gz YMLRUYJDDZBSSX-GFCCVEGCSA-N 1 2 361.442 2.613 20 30 FFEDLO C=CC[N@@H+](Cc1cc(C)cc(Br)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000781902207 738669786 /nfs/dbraw/zinc/66/97/86/738669786.db2.gz OFAMGYUJMLDTEP-ZDUSSCGKSA-N 1 2 374.300 2.638 20 30 FFEDLO C=CC[N@H+](Cc1cc(C)cc(Br)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000781902207 738669789 /nfs/dbraw/zinc/66/97/89/738669789.db2.gz OFAMGYUJMLDTEP-ZDUSSCGKSA-N 1 2 374.300 2.638 20 30 FFEDLO O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000683021918 734118431 /nfs/dbraw/zinc/11/84/31/734118431.db2.gz NGJZJOFXDZPJAB-HXUWFJFHSA-N 1 2 354.475 2.944 20 30 FFEDLO O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000683021918 734118434 /nfs/dbraw/zinc/11/84/34/734118434.db2.gz NGJZJOFXDZPJAB-HXUWFJFHSA-N 1 2 354.475 2.944 20 30 FFEDLO Cn1c(NN=Cc2cc(-n3cc[nH+]c3)cs2)nc2ccccc2c1=O ZINC000783811015 738838803 /nfs/dbraw/zinc/83/88/03/738838803.db2.gz PXEPXKSGRLWKNT-UHFFFAOYSA-N 1 2 350.407 2.627 20 30 FFEDLO Cn1nc(Br)nc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000894397864 734851284 /nfs/dbraw/zinc/85/12/84/734851284.db2.gz SPQFPSXRYDTPRJ-UHFFFAOYSA-N 1 2 373.176 2.738 20 30 FFEDLO O=C1[C@H]([NH2+]Cc2cc(OC(F)F)ccc2Br)CCCN1O ZINC000895159362 734969981 /nfs/dbraw/zinc/96/99/81/734969981.db2.gz UJDUCQJEGKVRQS-LLVKDONJSA-N 1 2 365.174 2.520 20 30 FFEDLO C#CCC1(O)CC[NH+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000895670280 735038578 /nfs/dbraw/zinc/03/85/78/735038578.db2.gz OJWLASDHKPMSNP-UHFFFAOYSA-N 1 2 365.264 2.924 20 30 FFEDLO C#CCOCCNC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000784417777 738889361 /nfs/dbraw/zinc/88/93/61/738889361.db2.gz VIOPBNZZXMIGTL-SJORKVTESA-N 1 2 367.852 2.563 20 30 FFEDLO C#CCOCCNC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000784417777 738889363 /nfs/dbraw/zinc/88/93/63/738889363.db2.gz VIOPBNZZXMIGTL-SJORKVTESA-N 1 2 367.852 2.563 20 30 FFEDLO C#CC[NH+]1CCN(Cn2nc(C)nc2-c2ccc(Cl)c(Cl)c2)CC1 ZINC000742535241 735241825 /nfs/dbraw/zinc/24/18/25/735241825.db2.gz QCWGPCAOHGHPEC-UHFFFAOYSA-N 1 2 364.280 2.769 20 30 FFEDLO CCOC(=O)[C@@H]1CCC(=NNCCCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC000901262474 735761827 /nfs/dbraw/zinc/76/18/27/735761827.db2.gz YWFNFCZUSJKRPV-ZIAGYGMSSA-N 1 2 360.380 2.761 20 30 FFEDLO C#CCNC(=O)C1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000750283511 735780388 /nfs/dbraw/zinc/78/03/88/735780388.db2.gz FDDGRWAARJAHOR-UHFFFAOYSA-N 1 2 365.264 2.603 20 30 FFEDLO C=CCn1c2ccccc2n(C[NH+]2CCC3(CNC(=O)O3)CC2)c1=S ZINC000902500319 735953178 /nfs/dbraw/zinc/95/31/78/735953178.db2.gz LHFJLFBQJCKBRW-UHFFFAOYSA-N 1 2 358.467 2.890 20 30 FFEDLO C=C(C)[C@H](NC(=O)/C=C(\C)C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000907461029 736631374 /nfs/dbraw/zinc/63/13/74/736631374.db2.gz LDFAOWKIUPQMOP-ATEOEAFZSA-N 1 2 350.409 2.977 20 30 FFEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)CC2(C#N)CCCCC2)c1C ZINC000763214975 736914995 /nfs/dbraw/zinc/91/49/95/736914995.db2.gz CXEWTZRGDDHSFS-UHFFFAOYSA-N 1 2 351.472 2.601 20 30 FFEDLO Cc1nc2c(s1)[C@H]([N@H+](C)Cn1cc3c(c(C#N)c1=O)CCC3)CCC2 ZINC000766619281 737246436 /nfs/dbraw/zinc/24/64/36/737246436.db2.gz IXBICJDZZNXFEO-QGZVFWFLSA-N 1 2 354.479 2.941 20 30 FFEDLO Cc1nc2c(s1)[C@H]([N@@H+](C)Cn1cc3c(c(C#N)c1=O)CCC3)CCC2 ZINC000766619281 737246441 /nfs/dbraw/zinc/24/64/41/737246441.db2.gz IXBICJDZZNXFEO-QGZVFWFLSA-N 1 2 354.479 2.941 20 30 FFEDLO CCN(CCO)c1ccc(C=[NH+]NC(=S)Nc2ccccn2)c(C)c1 ZINC000767803455 737369978 /nfs/dbraw/zinc/36/99/78/737369978.db2.gz DKMPAXWCPQFPBN-UHFFFAOYSA-N 1 2 357.483 2.529 20 30 FFEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)c3ccsc3)CC2)cc1 ZINC000768929745 737478830 /nfs/dbraw/zinc/47/88/30/737478830.db2.gz KEMQTEOVQOJZOI-OAHLLOKOSA-N 1 2 355.463 2.997 20 30 FFEDLO CN(C)c1ncc(C=[NH+]OCc2ccc(F)cc2Br)n1C ZINC000811647919 741545621 /nfs/dbraw/zinc/54/56/21/741545621.db2.gz AXGIRSNJSQKNQS-UHFFFAOYSA-N 1 2 355.211 2.938 20 30 FFEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)c2cc(C#N)ccc2Cl)c1C ZINC000772573489 737824571 /nfs/dbraw/zinc/82/45/71/737824571.db2.gz PWHKLHMGXCODGW-UHFFFAOYSA-N 1 2 365.842 2.711 20 30 FFEDLO N#CCOc1ccc(Cl)cc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000773497193 737911698 /nfs/dbraw/zinc/91/16/98/737911698.db2.gz KSKFYLCBTPOVOI-UHFFFAOYSA-N 1 2 356.857 2.955 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CC1 ZINC000775528184 738099314 /nfs/dbraw/zinc/09/93/14/738099314.db2.gz XFVYPNGSEYZYRO-UHFFFAOYSA-N 1 2 361.467 2.876 20 30 FFEDLO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000778426166 738381909 /nfs/dbraw/zinc/38/19/09/738381909.db2.gz CWTRERBTGSNCAB-BIENJYKASA-N 1 2 357.479 2.955 20 30 FFEDLO C[C@@H]1CC[C@@](CO)([N@@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000778426166 738381913 /nfs/dbraw/zinc/38/19/13/738381913.db2.gz CWTRERBTGSNCAB-BIENJYKASA-N 1 2 357.479 2.955 20 30 FFEDLO C=CCNC(=S)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787194480 739111915 /nfs/dbraw/zinc/11/19/15/739111915.db2.gz FFZJTVFWVALFSA-UHFFFAOYSA-N 1 2 369.332 2.673 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c1 ZINC000931932000 739354875 /nfs/dbraw/zinc/35/48/75/739354875.db2.gz PUTVMMXCHIZIKY-AZUAARDMSA-N 1 2 352.459 2.605 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c1 ZINC000931932000 739354881 /nfs/dbraw/zinc/35/48/81/739354881.db2.gz PUTVMMXCHIZIKY-AZUAARDMSA-N 1 2 352.459 2.605 20 30 FFEDLO N#CC[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)C(F)(F)F ZINC000932905690 739534501 /nfs/dbraw/zinc/53/45/01/739534501.db2.gz ZJLNEOJBCCGUDA-CQSZACIVSA-N 1 2 351.332 2.575 20 30 FFEDLO CCCNC(=O)C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932942200 739541360 /nfs/dbraw/zinc/54/13/60/739541360.db2.gz GCGMRYUOUFZKCL-HTQZYQBOSA-N 1 2 368.268 2.615 20 30 FFEDLO N#C[C@@]12C[N@H+](C3c4ccccc4-c4ccccc43)C[C@H]1CS(=O)(=O)C2 ZINC000933116582 739571639 /nfs/dbraw/zinc/57/16/39/739571639.db2.gz GCYGCTSJURXVTJ-XOBRGWDASA-N 1 2 350.443 2.627 20 30 FFEDLO N#C[C@@]12C[N@@H+](C3c4ccccc4-c4ccccc43)C[C@H]1CS(=O)(=O)C2 ZINC000933116582 739571642 /nfs/dbraw/zinc/57/16/42/739571642.db2.gz GCYGCTSJURXVTJ-XOBRGWDASA-N 1 2 350.443 2.627 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cscn2)CC1(C)C ZINC000940754052 740183781 /nfs/dbraw/zinc/18/37/81/740183781.db2.gz SETBLLSRDUZLDO-IXDOHACOSA-N 1 2 363.527 2.841 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cscn2)CC1(C)C ZINC000940754052 740183784 /nfs/dbraw/zinc/18/37/84/740183784.db2.gz SETBLLSRDUZLDO-IXDOHACOSA-N 1 2 363.527 2.841 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](Cc2sc(C)nc2C)C1 ZINC000953831403 740478219 /nfs/dbraw/zinc/47/82/19/740478219.db2.gz XQBJJGZAYAIWHW-WMZOPIPTSA-N 1 2 363.527 2.774 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C)CC1 ZINC000800766004 740547567 /nfs/dbraw/zinc/54/75/67/740547567.db2.gz PQCAPFIBNVZRSC-UHFFFAOYSA-N 1 2 350.253 2.544 20 30 FFEDLO C#CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000805059483 740933390 /nfs/dbraw/zinc/93/33/90/740933390.db2.gz VFARNRONVKZVBU-QZTJIDSGSA-N 1 2 370.465 2.821 20 30 FFEDLO C#CCCCS(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000805059483 740933394 /nfs/dbraw/zinc/93/33/94/740933394.db2.gz VFARNRONVKZVBU-QZTJIDSGSA-N 1 2 370.465 2.821 20 30 FFEDLO CC1=C(C(=O)C=Cc2c[nH+]c3ccc(Cl)cn23)[C@H](C)N2NN=NC2=N1 ZINC000806559519 741069120 /nfs/dbraw/zinc/06/91/20/741069120.db2.gz CGIQISCOEBCYNU-LWTINBJPSA-N 1 2 355.789 2.790 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)s1 ZINC000981604068 741162572 /nfs/dbraw/zinc/16/25/72/741162572.db2.gz XNJGICHYGHUWQX-MJGOQNOKSA-N 1 2 359.495 2.613 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)s1 ZINC000981604068 741162575 /nfs/dbraw/zinc/16/25/75/741162575.db2.gz XNJGICHYGHUWQX-MJGOQNOKSA-N 1 2 359.495 2.613 20 30 FFEDLO C#CCCS(=O)(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000808281298 741205823 /nfs/dbraw/zinc/20/58/23/741205823.db2.gz CTSSFQSLMJLGOT-GOSISDBHSA-N 1 2 374.531 2.790 20 30 FFEDLO C#CCCS(=O)(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000808281298 741205828 /nfs/dbraw/zinc/20/58/28/741205828.db2.gz CTSSFQSLMJLGOT-GOSISDBHSA-N 1 2 374.531 2.790 20 30 FFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000810086910 741384140 /nfs/dbraw/zinc/38/41/40/741384140.db2.gz UTMDUVZCPOCNSQ-JKSUJKDBSA-N 1 2 352.475 2.683 20 30 FFEDLO C=CCC(F)(F)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000816324717 742018698 /nfs/dbraw/zinc/01/86/98/742018698.db2.gz ZTZQQHWHTCEJOM-UHFFFAOYSA-N 1 2 351.397 2.501 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2ccncc2Cl)CC1 ZINC001001164723 742109666 /nfs/dbraw/zinc/10/96/66/742109666.db2.gz XRVPHDNWRSTPPT-AEFFLSMTSA-N 1 2 361.873 2.574 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2ccncc2Cl)CC1 ZINC001001164723 742109668 /nfs/dbraw/zinc/10/96/68/742109668.db2.gz XRVPHDNWRSTPPT-AEFFLSMTSA-N 1 2 361.873 2.574 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC001003650081 742210755 /nfs/dbraw/zinc/21/07/55/742210755.db2.gz PLQUKQRMVXHWRG-SJORKVTESA-N 1 2 361.511 2.692 20 30 FFEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CCCO[C@H]2C(=C)C)CC1 ZINC001003763550 742215101 /nfs/dbraw/zinc/21/51/01/742215101.db2.gz ODVYWAHCDLTDKB-HOTGVXAUSA-N 1 2 371.319 2.847 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001007358893 742326564 /nfs/dbraw/zinc/32/65/64/742326564.db2.gz XQFHXUDPMWJMEC-JLSDUUJJSA-N 1 2 361.511 2.761 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001007358893 742326568 /nfs/dbraw/zinc/32/65/68/742326568.db2.gz XQFHXUDPMWJMEC-JLSDUUJJSA-N 1 2 361.511 2.761 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000820012627 742454767 /nfs/dbraw/zinc/45/47/67/742454767.db2.gz HBQANGAQTMDBBS-OAHLLOKOSA-N 1 2 351.328 2.705 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001015817165 742482454 /nfs/dbraw/zinc/48/24/54/742482454.db2.gz WHSFZCOQHXTXSH-BQFCYCMXSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001015817165 742482456 /nfs/dbraw/zinc/48/24/56/742482456.db2.gz WHSFZCOQHXTXSH-BQFCYCMXSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccncc1Cl ZINC001024661137 742733027 /nfs/dbraw/zinc/73/30/27/742733027.db2.gz ZTBYDQDWECIJIB-JZXOWHBKSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccncc1Cl ZINC001024661137 742733029 /nfs/dbraw/zinc/73/30/29/742733029.db2.gz ZTBYDQDWECIJIB-JZXOWHBKSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nc(C)cs1 ZINC001024708680 742735020 /nfs/dbraw/zinc/73/50/20/742735020.db2.gz YSVKCMUDAHXSEN-BQFCYCMXSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1nc(C)cs1 ZINC001024708680 742735026 /nfs/dbraw/zinc/73/50/26/742735026.db2.gz YSVKCMUDAHXSEN-BQFCYCMXSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1csc(CC)n1 ZINC001028195923 742789951 /nfs/dbraw/zinc/78/99/51/742789951.db2.gz YYUUNKAZIRSYKY-RYRKJORJSA-N 1 2 363.527 2.767 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1csc(CC)n1 ZINC001028195923 742789955 /nfs/dbraw/zinc/78/99/55/742789955.db2.gz YYUUNKAZIRSYKY-RYRKJORJSA-N 1 2 363.527 2.767 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001033497160 742895804 /nfs/dbraw/zinc/89/58/04/742895804.db2.gz KPKOGWWODKVBQA-RYRKJORJSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001033497160 742895812 /nfs/dbraw/zinc/89/58/12/742895812.db2.gz KPKOGWWODKVBQA-RYRKJORJSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001033902440 742904023 /nfs/dbraw/zinc/90/40/23/742904023.db2.gz JDTYWVYXVXZANQ-YHUYYLMFSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001033902440 742904028 /nfs/dbraw/zinc/90/40/28/742904028.db2.gz JDTYWVYXVXZANQ-YHUYYLMFSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(F)(F)F ZINC001039945081 742998058 /nfs/dbraw/zinc/99/80/58/742998058.db2.gz NQAPYUHFEXPTOC-FZKCQIBNSA-N 1 2 360.420 2.985 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(F)(F)F ZINC001039945081 742998070 /nfs/dbraw/zinc/99/80/70/742998070.db2.gz NQAPYUHFEXPTOC-FZKCQIBNSA-N 1 2 360.420 2.985 20 30 FFEDLO CCN1CC[NH+](Cc2ccc(NC(=O)C#Cc3cccs3)cc2)CC1 ZINC000825005054 743193218 /nfs/dbraw/zinc/19/32/18/743193218.db2.gz CABKSLSHKURLRX-UHFFFAOYSA-N 1 2 353.491 2.876 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2c(Cl)cccc2Br)CC1 ZINC000825077836 743206419 /nfs/dbraw/zinc/20/64/19/743206419.db2.gz JMFSKKOKUQXZMX-UHFFFAOYSA-N 1 2 355.663 2.884 20 30 FFEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)C#Cc2cccs2)c2ccc(Cl)cc2)C1 ZINC000828109621 745029744 /nfs/dbraw/zinc/02/97/44/745029744.db2.gz OPCYCICZQHYWIN-IEBWSBKVSA-N 1 2 374.893 2.941 20 30 FFEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)C#Cc2cccs2)c2ccc(Cl)cc2)C1 ZINC000828109621 745029747 /nfs/dbraw/zinc/02/97/47/745029747.db2.gz OPCYCICZQHYWIN-IEBWSBKVSA-N 1 2 374.893 2.941 20 30 FFEDLO C#C[C@@H](NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCCO1 ZINC000836408683 746214812 /nfs/dbraw/zinc/21/48/12/746214812.db2.gz NWNHOZHRQMVKAQ-WBVHZDCISA-N 1 2 358.829 2.506 20 30 FFEDLO N#Cc1ccc(OCC(=O)OCCCn2cc[nH+]c2)cc1Br ZINC000838225151 746599514 /nfs/dbraw/zinc/59/95/14/746599514.db2.gz GRZKKAGSFBWZQR-UHFFFAOYSA-N 1 2 364.199 2.530 20 30 FFEDLO C=CCC[C@H]([NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)C(=O)OCC ZINC000839128741 746782742 /nfs/dbraw/zinc/78/27/42/746782742.db2.gz YTSZONFLIAXOMY-HNNXBMFYSA-N 1 2 352.475 2.873 20 30 FFEDLO C[C@@H](c1ncc(Br)cn1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844372026 748015335 /nfs/dbraw/zinc/01/53/35/748015335.db2.gz TYJQBOOWMLJMCX-NHYWBVRUSA-N 1 2 361.243 2.837 20 30 FFEDLO C[C@@H](c1ncc(Br)cn1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844372026 748015340 /nfs/dbraw/zinc/01/53/40/748015340.db2.gz TYJQBOOWMLJMCX-NHYWBVRUSA-N 1 2 361.243 2.837 20 30 FFEDLO C=C[C@@H](C)ONC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000845623509 748293984 /nfs/dbraw/zinc/29/39/84/748293984.db2.gz IQFZVKUZRHSMOV-LLVKDONJSA-N 1 2 367.247 2.753 20 30 FFEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCOC(F)F)CC1 ZINC000851885061 749717275 /nfs/dbraw/zinc/71/72/75/749717275.db2.gz HCWURONAKOLZFD-CQSZACIVSA-N 1 2 374.229 2.871 20 30 FFEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000852425579 749857593 /nfs/dbraw/zinc/85/75/93/749857593.db2.gz TZUQFHDLGHAYPG-UHFFFAOYSA-N 1 2 350.503 2.548 20 30 FFEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000852425579 749857597 /nfs/dbraw/zinc/85/75/97/749857597.db2.gz TZUQFHDLGHAYPG-UHFFFAOYSA-N 1 2 350.503 2.548 20 30 FFEDLO C[C@@]1(c2ccc(Cl)cc2)CC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853524396 750082813 /nfs/dbraw/zinc/08/28/13/750082813.db2.gz MRSISLLGVXTRNZ-LIRRHRJNSA-N 1 2 359.857 2.940 20 30 FFEDLO C[C@@]1(c2ccc(Cl)cc2)CC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853524396 750082821 /nfs/dbraw/zinc/08/28/21/750082821.db2.gz MRSISLLGVXTRNZ-LIRRHRJNSA-N 1 2 359.857 2.940 20 30 FFEDLO C=CC[N@H+](Cn1c2cc(Br)ccc2oc1=O)[C@@H](C)COC ZINC000853533892 750085768 /nfs/dbraw/zinc/08/57/68/750085768.db2.gz CVYZGQFOIOREJR-NSHDSACASA-N 1 2 355.232 2.837 20 30 FFEDLO C=CC[N@@H+](Cn1c2cc(Br)ccc2oc1=O)[C@@H](C)COC ZINC000853533892 750085775 /nfs/dbraw/zinc/08/57/75/750085775.db2.gz CVYZGQFOIOREJR-NSHDSACASA-N 1 2 355.232 2.837 20 30 FFEDLO C=CC[N@H+](CN1C[C@@H](c2cc(F)c(F)c(F)c2)CC1=O)[C@@H](C)COC ZINC000853534818 750086668 /nfs/dbraw/zinc/08/66/68/750086668.db2.gz MUQSOSPYXTUZAJ-JSGCOSHPSA-N 1 2 356.388 2.900 20 30 FFEDLO C=CC[N@@H+](CN1C[C@@H](c2cc(F)c(F)c(F)c2)CC1=O)[C@@H](C)COC ZINC000853534818 750086674 /nfs/dbraw/zinc/08/66/74/750086674.db2.gz MUQSOSPYXTUZAJ-JSGCOSHPSA-N 1 2 356.388 2.900 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C4=CCCC4)cc3)[C@H]2C1 ZINC001083294583 971214581 /nfs/dbraw/zinc/21/45/81/971214581.db2.gz JADIELQJCJSDKC-LEWJYISDSA-N 1 2 350.462 2.802 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C4=CCCC4)cc3)[C@H]2C1 ZINC001083294583 971214589 /nfs/dbraw/zinc/21/45/89/971214589.db2.gz JADIELQJCJSDKC-LEWJYISDSA-N 1 2 350.462 2.802 20 30 FFEDLO CCOC(=O)c1ncc(C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)s1 ZINC000896650428 971651043 /nfs/dbraw/zinc/65/10/43/971651043.db2.gz HNZSRLIPFOTMKX-AWEZNQCLSA-N 1 2 371.466 2.663 20 30 FFEDLO CCOC(=O)c1ncc(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)s1 ZINC000896650428 971651047 /nfs/dbraw/zinc/65/10/47/971651047.db2.gz HNZSRLIPFOTMKX-AWEZNQCLSA-N 1 2 371.466 2.663 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cn2)CC1(C)C ZINC000974589981 972027432 /nfs/dbraw/zinc/02/74/32/972027432.db2.gz WSXWWHBZJZENQJ-FGTMMUONSA-N 1 2 361.461 2.529 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cn2)CC1(C)C ZINC000974589981 972027439 /nfs/dbraw/zinc/02/74/39/972027439.db2.gz WSXWWHBZJZENQJ-FGTMMUONSA-N 1 2 361.461 2.529 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969690976 959767222 /nfs/dbraw/zinc/76/72/22/959767222.db2.gz DQJAVRAWWOSQHN-DJKXOVBDSA-N 1 2 371.456 2.615 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(F)c2F)C1 ZINC000969693431 959767711 /nfs/dbraw/zinc/76/77/11/959767711.db2.gz SPFSIGUAWCKJBX-XCRHUMRWSA-N 1 2 364.436 2.883 20 30 FFEDLO C[C@H](NC(=O)[C@]12CCC[C@H]1OCC2)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970141461 960256743 /nfs/dbraw/zinc/25/67/43/960256743.db2.gz BBMULJZVAIEYTL-ZKYUUJBMSA-N 1 2 371.456 2.593 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104243183 960369849 /nfs/dbraw/zinc/36/98/49/960369849.db2.gz IVRCVWALKJBZGW-XYPHTWIQSA-N 1 2 358.486 2.808 20 30 FFEDLO C[NH+](C)c1ccc(N2CCC(/N=C\c3ccc(O)c(O)c3O)CC2)cc1 ZINC000255153156 962099129 /nfs/dbraw/zinc/09/91/29/962099129.db2.gz BOUWXLQGPGJJBO-BKUYFWCQSA-N 1 2 355.438 2.957 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1OC ZINC001110185929 1013459467 /nfs/dbraw/zinc/45/94/67/1013459467.db2.gz PQQSNGYKFMIAPJ-NBMRYCAZSA-N 1 2 362.445 2.647 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1OC ZINC001110185929 1013459474 /nfs/dbraw/zinc/45/94/74/1013459474.db2.gz PQQSNGYKFMIAPJ-NBMRYCAZSA-N 1 2 362.445 2.647 20 30 FFEDLO Cc1cccn2c(/C=C\C(=O)c3cccc(S(=O)(=O)N(C)C)c3)c[nH+]c12 ZINC000255333158 964053433 /nfs/dbraw/zinc/05/34/33/964053433.db2.gz YSBPHRRWVGEULL-KTKRTIGZSA-N 1 2 369.446 2.789 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960870987 1013501216 /nfs/dbraw/zinc/50/12/16/1013501216.db2.gz BKAQWGIQKQXIGM-ZMYBRWDISA-N 1 2 359.445 2.545 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960870987 1013501220 /nfs/dbraw/zinc/50/12/20/1013501220.db2.gz BKAQWGIQKQXIGM-ZMYBRWDISA-N 1 2 359.445 2.545 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nocc1C ZINC000960912999 1013519444 /nfs/dbraw/zinc/51/94/44/1013519444.db2.gz PEFFUQWHPMOERD-LNLFQRSKSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nocc1C ZINC000960912999 1013519457 /nfs/dbraw/zinc/51/94/57/1013519457.db2.gz PEFFUQWHPMOERD-LNLFQRSKSA-N 1 2 361.486 2.777 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001270164235 964751358 /nfs/dbraw/zinc/75/13/58/964751358.db2.gz RWIGEDAWPPHZSU-MOPGFXCFSA-N 1 2 362.518 2.545 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncc(C)o1 ZINC000960915691 1013521407 /nfs/dbraw/zinc/52/14/07/1013521407.db2.gz XJZMYFPXLVPPAK-LNLFQRSKSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncc(C)o1 ZINC000960915691 1013521414 /nfs/dbraw/zinc/52/14/14/1013521414.db2.gz XJZMYFPXLVPPAK-LNLFQRSKSA-N 1 2 361.486 2.777 20 30 FFEDLO Cn1c[nH+]cc1CCNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000121603255 965243852 /nfs/dbraw/zinc/24/38/52/965243852.db2.gz NSCPDIOIRYNBCU-UHFFFAOYSA-N 1 2 360.417 2.843 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2nccs2)C1 ZINC001087468544 965245239 /nfs/dbraw/zinc/24/52/39/965245239.db2.gz CVJXNSABTBGHKF-IAGOWNOFSA-N 1 2 357.454 2.893 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2nccs2)C1 ZINC001087468544 965245260 /nfs/dbraw/zinc/24/52/60/965245260.db2.gz CVJXNSABTBGHKF-IAGOWNOFSA-N 1 2 357.454 2.893 20 30 FFEDLO C[C@@H]1C[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)[C@H]1c1ccccc1 ZINC000247490892 965346341 /nfs/dbraw/zinc/34/63/41/965346341.db2.gz VWCITNWCZDNUAM-IIBYNOLFSA-N 1 2 374.444 2.973 20 30 FFEDLO C[C@@H]1C[N@@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)[C@H]1c1ccccc1 ZINC000247490892 965346357 /nfs/dbraw/zinc/34/63/57/965346357.db2.gz VWCITNWCZDNUAM-IIBYNOLFSA-N 1 2 374.444 2.973 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2nc(C)oc2C)C1 ZINC001087476226 965640412 /nfs/dbraw/zinc/64/04/12/965640412.db2.gz ACQMFMVJCWPCGU-OALUTQOASA-N 1 2 367.449 2.521 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2nc(C)oc2C)C1 ZINC001087476226 965640420 /nfs/dbraw/zinc/64/04/20/965640420.db2.gz ACQMFMVJCWPCGU-OALUTQOASA-N 1 2 367.449 2.521 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)c2ccoc2C)C1 ZINC001087476710 965653739 /nfs/dbraw/zinc/65/37/39/965653739.db2.gz AOBIYWFMGWDGHP-HKUYNNGSSA-N 1 2 370.424 2.957 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)c2ccoc2C)C1 ZINC001087476710 965653747 /nfs/dbraw/zinc/65/37/47/965653747.db2.gz AOBIYWFMGWDGHP-HKUYNNGSSA-N 1 2 370.424 2.957 20 30 FFEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC000971925379 965714889 /nfs/dbraw/zinc/71/48/89/965714889.db2.gz WSXRIRPZVGHJNA-SBHAEUEKSA-N 1 2 371.456 2.689 20 30 FFEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC000971925379 965714894 /nfs/dbraw/zinc/71/48/94/965714894.db2.gz WSXRIRPZVGHJNA-SBHAEUEKSA-N 1 2 371.456 2.689 20 30 FFEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001075771352 966061085 /nfs/dbraw/zinc/06/10/85/966061085.db2.gz XXULENSPFQUNAU-BHYGNILZSA-N 1 2 355.482 2.979 20 30 FFEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001075771352 966061099 /nfs/dbraw/zinc/06/10/99/966061099.db2.gz XXULENSPFQUNAU-BHYGNILZSA-N 1 2 355.482 2.979 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C)no2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001087499405 967097208 /nfs/dbraw/zinc/09/72/08/967097208.db2.gz QOZAQENFRYEVJA-DLBZAZTESA-N 1 2 356.401 2.777 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C)no2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001087499405 967097222 /nfs/dbraw/zinc/09/72/22/967097222.db2.gz QOZAQENFRYEVJA-DLBZAZTESA-N 1 2 356.401 2.777 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nccn2CC)C1 ZINC001112154716 967296363 /nfs/dbraw/zinc/29/63/63/967296363.db2.gz YPAMTTIQGVKTSL-ZIAGYGMSSA-N 1 2 358.408 2.738 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001111491201 967350524 /nfs/dbraw/zinc/35/05/24/967350524.db2.gz SHDWWESYESNLDN-QVSURHGTSA-N 1 2 357.429 2.510 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001111491201 967350535 /nfs/dbraw/zinc/35/05/35/967350535.db2.gz SHDWWESYESNLDN-QVSURHGTSA-N 1 2 357.429 2.510 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)Cc2cccnc2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087542109 967983953 /nfs/dbraw/zinc/98/39/53/967983953.db2.gz XPDZEBHWGLCQCV-VQTJNVASSA-N 1 2 366.440 2.804 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)Cc2cccnc2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087542109 967983959 /nfs/dbraw/zinc/98/39/59/967983959.db2.gz XPDZEBHWGLCQCV-VQTJNVASSA-N 1 2 366.440 2.804 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC001087545948 968021680 /nfs/dbraw/zinc/02/16/80/968021680.db2.gz JFHRLQNIANIQLG-JKSUJKDBSA-N 1 2 369.469 2.955 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC001087545948 968021690 /nfs/dbraw/zinc/02/16/90/968021690.db2.gz JFHRLQNIANIQLG-JKSUJKDBSA-N 1 2 369.469 2.955 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2C(F)(F)F)[C@H]1CC ZINC001087597863 968307645 /nfs/dbraw/zinc/30/76/45/968307645.db2.gz DYEJGPWIIYMYKX-WDEREUQCSA-N 1 2 350.772 2.764 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2C(F)(F)F)[C@H]1CC ZINC001087597863 968307653 /nfs/dbraw/zinc/30/76/53/968307653.db2.gz DYEJGPWIIYMYKX-WDEREUQCSA-N 1 2 350.772 2.764 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)[C@@H]1CC ZINC001087729750 968778527 /nfs/dbraw/zinc/77/85/27/968778527.db2.gz VEAHOMLFZDGWLX-TWMKSMIVSA-N 1 2 359.470 2.612 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)[C@@H]1CC ZINC001087729750 968778536 /nfs/dbraw/zinc/77/85/36/968778536.db2.gz VEAHOMLFZDGWLX-TWMKSMIVSA-N 1 2 359.470 2.612 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cnn(CC)c2C)[C@H]1CC ZINC001087772003 968973281 /nfs/dbraw/zinc/97/32/81/968973281.db2.gz LLURASBLEQVCRZ-LSDHHAIUSA-N 1 2 369.307 2.703 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cnn(CC)c2C)[C@H]1CC ZINC001087772003 968973287 /nfs/dbraw/zinc/97/32/87/968973287.db2.gz LLURASBLEQVCRZ-LSDHHAIUSA-N 1 2 369.307 2.703 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC001024668048 969244630 /nfs/dbraw/zinc/24/46/30/969244630.db2.gz QBUBMYUSVZXKGO-XFKSJGNHSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC001024668048 969244639 /nfs/dbraw/zinc/24/46/39/969244639.db2.gz QBUBMYUSVZXKGO-XFKSJGNHSA-N 1 2 371.456 2.736 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc(C)oc1C ZINC001024702606 969261302 /nfs/dbraw/zinc/26/13/02/969261302.db2.gz XNTFCDOXZYJEOV-AOIWGVFYSA-N 1 2 361.486 2.743 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1nc(C)oc1C ZINC001024702606 969261306 /nfs/dbraw/zinc/26/13/06/969261306.db2.gz XNTFCDOXZYJEOV-AOIWGVFYSA-N 1 2 361.486 2.743 20 30 FFEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC001267572611 969493369 /nfs/dbraw/zinc/49/33/69/969493369.db2.gz QUDYOSZMAGGOTE-DLBZAZTESA-N 1 2 355.954 2.887 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)C4CCC=CCC4)[C@H]3C2)s1 ZINC001083278077 969661673 /nfs/dbraw/zinc/66/16/73/969661673.db2.gz GZRXFSPMIMHXKD-RBUKOAKNSA-N 1 2 371.506 2.778 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C4CCC=CCC4)[C@H]3C2)s1 ZINC001083278077 969661679 /nfs/dbraw/zinc/66/16/79/969661679.db2.gz GZRXFSPMIMHXKD-RBUKOAKNSA-N 1 2 371.506 2.778 20 30 FFEDLO C=C[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(C)no1)C2)c1ccccc1 ZINC001112001504 969883581 /nfs/dbraw/zinc/88/35/81/969883581.db2.gz ZVVPQHXVUAGBKR-UEXGIBASSA-N 1 2 366.465 2.819 20 30 FFEDLO C=C[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(C)no1)C2)c1ccccc1 ZINC001112001504 969883587 /nfs/dbraw/zinc/88/35/87/969883587.db2.gz ZVVPQHXVUAGBKR-UEXGIBASSA-N 1 2 366.465 2.819 20 30 FFEDLO C=CC(C)(C)CCCNC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000875110490 1013971169 /nfs/dbraw/zinc/97/11/69/1013971169.db2.gz KRFOIOBWPFEVOZ-UHFFFAOYSA-N 1 2 354.454 2.597 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](Cc1ccn(C(C)C)n1)C1CC1 ZINC001481189813 970338229 /nfs/dbraw/zinc/33/82/29/970338229.db2.gz AFQMETQBQROYJW-OALUTQOASA-N 1 2 360.502 2.526 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+](Cc1ccn(C(C)C)n1)C1CC1 ZINC001481189813 970338239 /nfs/dbraw/zinc/33/82/39/970338239.db2.gz AFQMETQBQROYJW-OALUTQOASA-N 1 2 360.502 2.526 20 30 FFEDLO Cc1noc(C)c1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001075535870 970466344 /nfs/dbraw/zinc/46/63/44/970466344.db2.gz BMPGIVZKWDRCGT-FUHWJXTLSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1noc(C)c1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001075535870 970466351 /nfs/dbraw/zinc/46/63/51/970466351.db2.gz BMPGIVZKWDRCGT-FUHWJXTLSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1cc(CNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc(C)[nH+]1 ZINC000895411548 970596100 /nfs/dbraw/zinc/59/61/00/970596100.db2.gz OFSKSJQPKZPOPO-IBGZPJMESA-N 1 2 350.422 2.853 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2[nH]cnc2C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087851283 970622977 /nfs/dbraw/zinc/62/29/77/970622977.db2.gz SSMPMCUKOYTSJI-DLBZAZTESA-N 1 2 355.417 2.512 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2[nH]cnc2C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087851283 970622983 /nfs/dbraw/zinc/62/29/83/970622983.db2.gz SSMPMCUKOYTSJI-DLBZAZTESA-N 1 2 355.417 2.512 20 30 FFEDLO Cc1c(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cnn1CCC#N ZINC000895448181 970630602 /nfs/dbraw/zinc/63/06/02/970630602.db2.gz ZNUYZNORFFTVAL-UITAMQMPSA-N 1 2 363.465 2.576 20 30 FFEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC2(CCCNC2=O)CC1 ZINC001141815027 970695195 /nfs/dbraw/zinc/69/51/95/970695195.db2.gz YOBRDXOKVGBBMO-UHFFFAOYSA-N 1 2 362.271 2.813 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C)s4)CC[C@@H]3C2)CC1 ZINC001088091016 972702321 /nfs/dbraw/zinc/70/23/21/972702321.db2.gz QWHZQGGTXDWCEV-SJORKVTESA-N 1 2 360.527 2.873 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C)s4)CC[C@@H]3C2)CC1 ZINC001088091016 972702330 /nfs/dbraw/zinc/70/23/30/972702330.db2.gz QWHZQGGTXDWCEV-SJORKVTESA-N 1 2 360.527 2.873 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncc(CC)o1 ZINC000960927592 1014109345 /nfs/dbraw/zinc/10/93/45/1014109345.db2.gz MIFDIGPOPNHDDJ-AYBZRNKSSA-N 1 2 361.486 2.641 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncc(CC)o1 ZINC000960927592 1014109350 /nfs/dbraw/zinc/10/93/50/1014109350.db2.gz MIFDIGPOPNHDDJ-AYBZRNKSSA-N 1 2 361.486 2.641 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](C/C(Cl)=C\Cl)CC[C@@H]3C2)cn1 ZINC001088175487 973487728 /nfs/dbraw/zinc/48/77/28/973487728.db2.gz YOEGEYYURDHQNN-GISMTJLYSA-N 1 2 364.276 2.776 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C/C(Cl)=C\Cl)CC[C@@H]3C2)cn1 ZINC001088175487 973487736 /nfs/dbraw/zinc/48/77/36/973487736.db2.gz YOEGEYYURDHQNN-GISMTJLYSA-N 1 2 364.276 2.776 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000975874481 973502605 /nfs/dbraw/zinc/50/26/05/973502605.db2.gz BETWIBYNXIVGOF-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000975874481 973502613 /nfs/dbraw/zinc/50/26/13/973502613.db2.gz BETWIBYNXIVGOF-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccns4)[C@@H]3C2)c1 ZINC001075845991 973673380 /nfs/dbraw/zinc/67/33/80/973673380.db2.gz VJVVJDYWZSWSKS-XJKSGUPXSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccns4)[C@@H]3C2)c1 ZINC001075845991 973673383 /nfs/dbraw/zinc/67/33/83/973673383.db2.gz VJVVJDYWZSWSKS-XJKSGUPXSA-N 1 2 356.426 2.500 20 30 FFEDLO Cc1c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cnn1CCC#N ZINC000897263018 973695041 /nfs/dbraw/zinc/69/50/41/973695041.db2.gz DTORFECYTSDYKU-ROUUACIJSA-N 1 2 373.407 2.559 20 30 FFEDLO Cc1c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cnn1CCC#N ZINC000897263018 973695052 /nfs/dbraw/zinc/69/50/52/973695052.db2.gz DTORFECYTSDYKU-ROUUACIJSA-N 1 2 373.407 2.559 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2CC)CC1 ZINC000985409896 973991981 /nfs/dbraw/zinc/99/19/81/973991981.db2.gz SAMSVOKBFWXULJ-ZWKOTPCHSA-N 1 2 358.486 2.515 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000976951871 974528707 /nfs/dbraw/zinc/52/87/07/974528707.db2.gz QJNMJYMZVQOUGJ-HZPDHXFCSA-N 1 2 366.465 2.848 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ncc(CC)o2)C1 ZINC001027612751 975032225 /nfs/dbraw/zinc/03/22/25/975032225.db2.gz OSJZSVPJWLWJNR-IEZWGBDMSA-N 1 2 361.486 2.641 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ncc(CC)o2)C1 ZINC001027612751 975032232 /nfs/dbraw/zinc/03/22/32/975032232.db2.gz OSJZSVPJWLWJNR-IEZWGBDMSA-N 1 2 361.486 2.641 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@](C)(C(F)F)C2)c(OC)c1 ZINC000662373899 975462705 /nfs/dbraw/zinc/46/27/05/975462705.db2.gz KUKFIZBQGBGZCY-HNAYVOBHSA-N 1 2 371.424 2.519 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@](C)(C(F)F)C2)c(OC)c1 ZINC000662373899 975462710 /nfs/dbraw/zinc/46/27/10/975462710.db2.gz KUKFIZBQGBGZCY-HNAYVOBHSA-N 1 2 371.424 2.519 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001087428538 975684383 /nfs/dbraw/zinc/68/43/83/975684383.db2.gz LFMCSIWWSOASLY-XFKSJGNHSA-N 1 2 360.885 2.750 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001087428538 975684388 /nfs/dbraw/zinc/68/43/88/975684388.db2.gz LFMCSIWWSOASLY-XFKSJGNHSA-N 1 2 360.885 2.750 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000876614310 1014324409 /nfs/dbraw/zinc/32/44/09/1014324409.db2.gz KIJIAZKSCUNWJH-UHFFFAOYSA-N 1 2 353.470 2.547 20 30 FFEDLO Cc1noc(C)c1CN1CC[NH+](Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000876614310 1014324421 /nfs/dbraw/zinc/32/44/21/1014324421.db2.gz KIJIAZKSCUNWJH-UHFFFAOYSA-N 1 2 353.470 2.547 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)c(F)c1 ZINC000981603456 976642606 /nfs/dbraw/zinc/64/26/06/976642606.db2.gz HEKRXALYDPTYBG-CTNGQTDRSA-N 1 2 371.456 2.691 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)c(F)c1 ZINC000981603456 976642608 /nfs/dbraw/zinc/64/26/08/976642608.db2.gz HEKRXALYDPTYBG-CTNGQTDRSA-N 1 2 371.456 2.691 20 30 FFEDLO CC(C)(CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)n1cc[nH+]c1 ZINC000898910135 976765532 /nfs/dbraw/zinc/76/55/32/976765532.db2.gz ZRWPJVCDHUJWSE-UHFFFAOYSA-N 1 2 369.444 2.662 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(-c4ccccc4F)o3)C[C@H]21 ZINC001075615893 977312968 /nfs/dbraw/zinc/31/29/68/977312968.db2.gz CBXDMYRCYGZRHB-JKIFEVAISA-N 1 2 368.412 2.673 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(-c4ccccc4F)o3)C[C@H]21 ZINC001075615893 977312973 /nfs/dbraw/zinc/31/29/73/977312973.db2.gz CBXDMYRCYGZRHB-JKIFEVAISA-N 1 2 368.412 2.673 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@H]21 ZINC001075616130 977315494 /nfs/dbraw/zinc/31/54/94/977315494.db2.gz KPXWEGBVRRCNGV-UKPHBRMFSA-N 1 2 368.412 2.673 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@H]21 ZINC001075616130 977315498 /nfs/dbraw/zinc/31/54/98/977315498.db2.gz KPXWEGBVRRCNGV-UKPHBRMFSA-N 1 2 368.412 2.673 20 30 FFEDLO Cc1ncccc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088827773 977336404 /nfs/dbraw/zinc/33/64/04/977336404.db2.gz HTQSNETYMZWWBP-KUHUBIRLSA-N 1 2 352.413 2.794 20 30 FFEDLO Cc1ncccc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088827773 977336410 /nfs/dbraw/zinc/33/64/10/977336410.db2.gz HTQSNETYMZWWBP-KUHUBIRLSA-N 1 2 352.413 2.794 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2scnc2COC)C1 ZINC001087439456 977392680 /nfs/dbraw/zinc/39/26/80/977392680.db2.gz YUEBONXBXQJMBX-IAGOWNOFSA-N 1 2 369.490 2.511 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2scnc2COC)C1 ZINC001087439456 977392684 /nfs/dbraw/zinc/39/26/84/977392684.db2.gz YUEBONXBXQJMBX-IAGOWNOFSA-N 1 2 369.490 2.511 20 30 FFEDLO O=C(c1cccc(C#CCO)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000899933930 977399160 /nfs/dbraw/zinc/39/91/60/977399160.db2.gz ZMHBPEOSQBJESJ-BJMVGYQFSA-N 1 2 360.457 2.502 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2conc2C)C1 ZINC001087458341 977922565 /nfs/dbraw/zinc/92/25/65/977922565.db2.gz XCQBVSNVCQKFAX-IEBWSBKVSA-N 1 2 355.413 2.733 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2conc2C)C1 ZINC001087458341 977922569 /nfs/dbraw/zinc/92/25/69/977922569.db2.gz XCQBVSNVCQKFAX-IEBWSBKVSA-N 1 2 355.413 2.733 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@@H]2c2cccc(F)c2)cn1 ZINC001087459788 977983310 /nfs/dbraw/zinc/98/33/10/977983310.db2.gz XURADECHAVPZIQ-WOJBJXKFSA-N 1 2 369.415 2.759 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@@H]2c2cccc(F)c2)cn1 ZINC001087459788 977983320 /nfs/dbraw/zinc/98/33/20/977983320.db2.gz XURADECHAVPZIQ-WOJBJXKFSA-N 1 2 369.415 2.759 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cc(Cl)no2)C1 ZINC001087459869 977994588 /nfs/dbraw/zinc/99/45/88/977994588.db2.gz BUJLAVULVDSGOF-HUUCEWRRSA-N 1 2 361.804 2.688 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cc(Cl)no2)C1 ZINC001087459869 977994595 /nfs/dbraw/zinc/99/45/95/977994595.db2.gz BUJLAVULVDSGOF-HUUCEWRRSA-N 1 2 361.804 2.688 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4csc(C)n4)C[C@H]32)cc1 ZINC001076119449 979128740 /nfs/dbraw/zinc/12/87/40/979128740.db2.gz LHYNFANQAOSQLY-PKOBYXMFSA-N 1 2 351.475 2.779 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4csc(C)n4)C[C@H]32)cc1 ZINC001076119449 979128744 /nfs/dbraw/zinc/12/87/44/979128744.db2.gz LHYNFANQAOSQLY-PKOBYXMFSA-N 1 2 351.475 2.779 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(OC)c(OC)c3)[C@@H]2C1 ZINC001076522162 979628342 /nfs/dbraw/zinc/62/83/42/979628342.db2.gz LOQPAMXYBKAMDF-LSDHHAIUSA-N 1 2 350.846 2.603 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(OC)c(OC)c3)[C@@H]2C1 ZINC001076522162 979628344 /nfs/dbraw/zinc/62/83/44/979628344.db2.gz LOQPAMXYBKAMDF-LSDHHAIUSA-N 1 2 350.846 2.603 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4onc(CC)c4c3)[C@@H]2C1 ZINC001076608507 979711274 /nfs/dbraw/zinc/71/12/74/979711274.db2.gz MZSQKYKAZYHJKB-BLLLJJGKSA-N 1 2 360.845 2.684 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4onc(CC)c4c3)[C@@H]2C1 ZINC001076608507 979711277 /nfs/dbraw/zinc/71/12/77/979711277.db2.gz MZSQKYKAZYHJKB-BLLLJJGKSA-N 1 2 360.845 2.684 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(NC(C)=O)ccc3F)[C@@H]2C1 ZINC001076626133 979728048 /nfs/dbraw/zinc/72/80/48/979728048.db2.gz RXLSXNUELJMSLE-SUMWQHHRSA-N 1 2 365.836 2.683 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(NC(C)=O)ccc3F)[C@@H]2C1 ZINC001076626133 979728052 /nfs/dbraw/zinc/72/80/52/979728052.db2.gz RXLSXNUELJMSLE-SUMWQHHRSA-N 1 2 365.836 2.683 20 30 FFEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1)C(=O)OC ZINC000877582942 1014634204 /nfs/dbraw/zinc/63/42/04/1014634204.db2.gz IQMRESDXLXDGKO-WCXIOVBPSA-N 1 2 364.486 2.709 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C2CC(F)(F)C2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088514346 980388064 /nfs/dbraw/zinc/38/80/64/980388064.db2.gz MJJCOOOXUWGWRI-BZNIZROVSA-N 1 2 351.372 2.822 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C2CC(F)(F)C2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088514346 980388067 /nfs/dbraw/zinc/38/80/67/980388067.db2.gz MJJCOOOXUWGWRI-BZNIZROVSA-N 1 2 351.372 2.822 20 30 FFEDLO Cc1cnccc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088557779 981051454 /nfs/dbraw/zinc/05/14/54/981051454.db2.gz FEESOMRIHRPQQJ-KUHUBIRLSA-N 1 2 352.413 2.794 20 30 FFEDLO Cc1cnccc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088557779 981051457 /nfs/dbraw/zinc/05/14/57/981051457.db2.gz FEESOMRIHRPQQJ-KUHUBIRLSA-N 1 2 352.413 2.794 20 30 FFEDLO CC/C=C(\C)C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001211967649 981278555 /nfs/dbraw/zinc/27/85/55/981278555.db2.gz OUEVYPDUDPCHDF-LLCIJCKFSA-N 1 2 360.885 2.863 20 30 FFEDLO CC/C=C(\C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001211967649 981278559 /nfs/dbraw/zinc/27/85/59/981278559.db2.gz OUEVYPDUDPCHDF-LLCIJCKFSA-N 1 2 360.885 2.863 20 30 FFEDLO C=CCCn1cc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)nn1 ZINC000907816541 981302718 /nfs/dbraw/zinc/30/27/18/981302718.db2.gz UUQHKVDDYKWFJF-HNNXBMFYSA-N 1 2 368.485 2.912 20 30 FFEDLO C=CCCn1cc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)nn1 ZINC000907816541 981302721 /nfs/dbraw/zinc/30/27/21/981302721.db2.gz UUQHKVDDYKWFJF-HNNXBMFYSA-N 1 2 368.485 2.912 20 30 FFEDLO C=C(C)COc1cc(C[NH+]2CC(CNC(=O)C(F)(F)F)C2)ccc1OC ZINC000877776912 1014723501 /nfs/dbraw/zinc/72/35/01/1014723501.db2.gz GOJLARDTIQEDSS-UHFFFAOYSA-N 1 2 372.387 2.760 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3c2c(F)ccc3F)C[C@H]1OC ZINC001211999692 981439102 /nfs/dbraw/zinc/43/91/02/981439102.db2.gz UGJLQUMKUDAKBI-BRWVUGGUSA-N 1 2 350.409 2.734 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3c2c(F)ccc3F)C[C@H]1OC ZINC001211999692 981439105 /nfs/dbraw/zinc/43/91/05/981439105.db2.gz UGJLQUMKUDAKBI-BRWVUGGUSA-N 1 2 350.409 2.734 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2c(Cl)oc3ccccc32)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041232 981468391 /nfs/dbraw/zinc/46/83/91/981468391.db2.gz JDRHZJPEQWKEEA-SGIREYDYSA-N 1 2 361.829 2.561 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2c(Cl)oc3ccccc32)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041232 981468394 /nfs/dbraw/zinc/46/83/94/981468394.db2.gz JDRHZJPEQWKEEA-SGIREYDYSA-N 1 2 361.829 2.561 20 30 FFEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000908661654 981493433 /nfs/dbraw/zinc/49/34/33/981493433.db2.gz ZVEXMBVHDSLBGY-MRXNPFEDSA-N 1 2 368.393 2.920 20 30 FFEDLO C=CCn1c([C@H]2CCO[C@H]2C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000908690260 981498480 /nfs/dbraw/zinc/49/84/80/981498480.db2.gz KLJFZRLLBSBCQL-RDJZCZTQSA-N 1 2 368.485 2.832 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)CCC1CCC1 ZINC001212098165 981634255 /nfs/dbraw/zinc/63/42/55/981634255.db2.gz BWHFUHKURNPLAS-WOJBJXKFSA-N 1 2 358.457 2.573 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)CCC1CCC1 ZINC001212098165 981634257 /nfs/dbraw/zinc/63/42/57/981634257.db2.gz BWHFUHKURNPLAS-WOJBJXKFSA-N 1 2 358.457 2.573 20 30 FFEDLO C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000909296293 981672890 /nfs/dbraw/zinc/67/28/90/981672890.db2.gz DOCUJGWTLLRKGJ-UHFFFAOYSA-N 1 2 364.457 2.720 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc4nsnc43)CC2)cc1 ZINC000877895477 1014756235 /nfs/dbraw/zinc/75/62/35/1014756235.db2.gz GDHLRMSXZJUDKF-UHFFFAOYSA-N 1 2 363.446 2.521 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ccon1 ZINC000969063038 1014780585 /nfs/dbraw/zinc/78/05/85/1014780585.db2.gz YEQYAWYBPZMENJ-FHWLQOOXSA-N 1 2 361.486 2.907 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1ccon1 ZINC000969063038 1014780587 /nfs/dbraw/zinc/78/05/87/1014780587.db2.gz YEQYAWYBPZMENJ-FHWLQOOXSA-N 1 2 361.486 2.907 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2noc3c2CCCC3)[C@@H]1C ZINC001088623778 982000450 /nfs/dbraw/zinc/00/04/50/982000450.db2.gz UOMAVOHBIYEVOQ-WBVHZDCISA-N 1 2 368.481 2.934 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2noc3c2CCCC3)[C@@H]1C ZINC001088623778 982000460 /nfs/dbraw/zinc/00/04/60/982000460.db2.gz UOMAVOHBIYEVOQ-WBVHZDCISA-N 1 2 368.481 2.934 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC001483388755 982013122 /nfs/dbraw/zinc/01/31/22/982013122.db2.gz LPIOLANPYJSSSL-KFWWJZLASA-N 1 2 365.543 2.968 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC001483388755 982013126 /nfs/dbraw/zinc/01/31/26/982013126.db2.gz LPIOLANPYJSSSL-KFWWJZLASA-N 1 2 365.543 2.968 20 30 FFEDLO CC(C)c1cc(=O)[nH]c(N2CC[C@@H]([NH2+]Cc3cc(C#N)cnc3Cl)C2)n1 ZINC000897703321 982482037 /nfs/dbraw/zinc/48/20/37/982482037.db2.gz AKGSDNGBRYHSQV-CQSZACIVSA-N 1 2 372.860 2.594 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000897754438 982496108 /nfs/dbraw/zinc/49/61/08/982496108.db2.gz TZCCIBKYAPTQJO-SJLPKXTDSA-N 1 2 354.454 2.602 20 30 FFEDLO C[C@H](OCCCNC(=O)CO[NH+]=C(N)c1ccc(F)cc1)c1ccccc1 ZINC000842019655 982603571 /nfs/dbraw/zinc/60/35/71/982603571.db2.gz TXQHVUOJUGRQGS-HNNXBMFYSA-N 1 2 373.428 2.747 20 30 FFEDLO CCOc1ccc(O)c(C=[NH+]CCCN2C(=O)NC3(CCCCC3)C2=O)c1 ZINC000912782327 984117821 /nfs/dbraw/zinc/11/78/21/984117821.db2.gz KQOVOZSPWCBQLE-STZFKDTASA-N 1 2 373.453 2.855 20 30 FFEDLO NC(=[NH+]OCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000029464240 984199595 /nfs/dbraw/zinc/19/95/95/984199595.db2.gz CXBOZTACKIJWIU-UHFFFAOYSA-N 1 2 371.290 3.000 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc3ccccc3o2)C[C@H]1OC ZINC001212146076 984332336 /nfs/dbraw/zinc/33/23/36/984332336.db2.gz IVMJLHMNIXIPBA-SZVBFZGTSA-N 1 2 369.465 2.898 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc3ccccc3o2)C[C@H]1OC ZINC001212146076 984332342 /nfs/dbraw/zinc/33/23/42/984332342.db2.gz IVMJLHMNIXIPBA-SZVBFZGTSA-N 1 2 369.465 2.898 20 30 FFEDLO C=CCCC1(C(=O)N2CC[C@H](CCNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001060330946 984756072 /nfs/dbraw/zinc/75/60/72/984756072.db2.gz JUFSDVGFYCWUGR-GVDBMIGSSA-N 1 2 370.497 2.614 20 30 FFEDLO C=CCCC1(C(=O)N2CC[C@H](CCNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001060330946 984756075 /nfs/dbraw/zinc/75/60/75/984756075.db2.gz JUFSDVGFYCWUGR-GVDBMIGSSA-N 1 2 370.497 2.614 20 30 FFEDLO COCc1ncsc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088908240 985416030 /nfs/dbraw/zinc/41/60/30/985416030.db2.gz NXZPHTHVQPMASL-WBVHZDCISA-N 1 2 369.490 2.534 20 30 FFEDLO COCc1ncsc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088908240 985416034 /nfs/dbraw/zinc/41/60/34/985416034.db2.gz NXZPHTHVQPMASL-WBVHZDCISA-N 1 2 369.490 2.534 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc(C)sc2C)[C@@H]1C ZINC001088914267 985438214 /nfs/dbraw/zinc/43/82/14/985438214.db2.gz SWJVKVCNIWBZRH-JHMUCCBASA-N 1 2 363.527 2.820 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)sc2C)[C@@H]1C ZINC001088914267 985438216 /nfs/dbraw/zinc/43/82/16/985438216.db2.gz SWJVKVCNIWBZRH-JHMUCCBASA-N 1 2 363.527 2.820 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C(C)C)n3)C[C@H]2OC)CCC1 ZINC001212393734 986020838 /nfs/dbraw/zinc/02/08/38/986020838.db2.gz XJOLRHQSUOGKTO-WOJBJXKFSA-N 1 2 369.509 2.714 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C(C)C)n3)C[C@H]2OC)CCC1 ZINC001212393734 986020842 /nfs/dbraw/zinc/02/08/42/986020842.db2.gz XJOLRHQSUOGKTO-WOJBJXKFSA-N 1 2 369.509 2.714 20 30 FFEDLO CC[C@H](CC(F)F)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212401197 986117307 /nfs/dbraw/zinc/11/73/07/986117307.db2.gz IFYLQQPVHKWVDB-KCPJHIHWSA-N 1 2 371.453 2.617 20 30 FFEDLO CC[C@H](CC(F)F)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212401197 986117312 /nfs/dbraw/zinc/11/73/12/986117312.db2.gz IFYLQQPVHKWVDB-KCPJHIHWSA-N 1 2 371.453 2.617 20 30 FFEDLO C[C@H](C(=O)[C@H](C#N)c1nnc2n1CCCCC2)[N@@H+]1CCc2ccccc2C1 ZINC000089967350 986498095 /nfs/dbraw/zinc/49/80/95/986498095.db2.gz GTHLXYGRQKVWPD-QAPCUYQASA-N 1 2 363.465 2.628 20 30 FFEDLO C[C@H](C(=O)[C@H](C#N)c1nnc2n1CCCCC2)[N@H+]1CCc2ccccc2C1 ZINC000089967350 986498098 /nfs/dbraw/zinc/49/80/98/986498098.db2.gz GTHLXYGRQKVWPD-QAPCUYQASA-N 1 2 363.465 2.628 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1cc(F)ccc1C#N)CC2 ZINC000992212949 986532114 /nfs/dbraw/zinc/53/21/14/986532114.db2.gz ZMYSAVZXKQFAAM-XPKQXGJGSA-N 1 2 371.456 2.736 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1cc(F)ccc1C#N)CC2 ZINC000992212949 986532119 /nfs/dbraw/zinc/53/21/19/986532119.db2.gz ZMYSAVZXKQFAAM-XPKQXGJGSA-N 1 2 371.456 2.736 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cc(F)ccc1C#N)CC2 ZINC000992212943 986532318 /nfs/dbraw/zinc/53/23/18/986532318.db2.gz ZMYSAVZXKQFAAM-FWQLUELVSA-N 1 2 371.456 2.736 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1cc(F)ccc1C#N)CC2 ZINC000992212943 986532322 /nfs/dbraw/zinc/53/23/22/986532322.db2.gz ZMYSAVZXKQFAAM-FWQLUELVSA-N 1 2 371.456 2.736 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1coc(C3CC3)n1)CC2 ZINC000992243382 986560890 /nfs/dbraw/zinc/56/08/90/986560890.db2.gz VIWYACXRLXZGRX-OEMYIYORSA-N 1 2 371.481 2.756 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1coc(C3CC3)n1)CC2 ZINC000992243382 986560894 /nfs/dbraw/zinc/56/08/94/986560894.db2.gz VIWYACXRLXZGRX-OEMYIYORSA-N 1 2 371.481 2.756 20 30 FFEDLO CC1(C)CCC[C@@H](CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001078004204 986903815 /nfs/dbraw/zinc/90/38/15/986903815.db2.gz NGEFWOPHWHATJD-PWRODBHTSA-N 1 2 368.521 2.806 20 30 FFEDLO CC1(C)CCC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001078004204 986903823 /nfs/dbraw/zinc/90/38/23/986903823.db2.gz NGEFWOPHWHATJD-PWRODBHTSA-N 1 2 368.521 2.806 20 30 FFEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000878888714 1015270245 /nfs/dbraw/zinc/27/02/45/1015270245.db2.gz ODRCKEUYEYQJHO-NQIIRXRSSA-N 1 2 355.482 2.915 20 30 FFEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000878888714 1015270252 /nfs/dbraw/zinc/27/02/52/1015270252.db2.gz ODRCKEUYEYQJHO-NQIIRXRSSA-N 1 2 355.482 2.915 20 30 FFEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001106154234 987289360 /nfs/dbraw/zinc/28/93/60/987289360.db2.gz FLUXYGVDNVUOPZ-BMFZPTHFSA-N 1 2 356.363 2.623 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001106154234 987289365 /nfs/dbraw/zinc/28/93/65/987289365.db2.gz FLUXYGVDNVUOPZ-BMFZPTHFSA-N 1 2 356.363 2.623 20 30 FFEDLO CC[C@@H]1C[C@H]1C(=O)NCC[N@@H+](CC#Cc1cccc(Cl)c1)CCOC ZINC001486432371 987292836 /nfs/dbraw/zinc/29/28/36/987292836.db2.gz UWXLKTCIWCDQIS-IEBWSBKVSA-N 1 2 362.901 2.802 20 30 FFEDLO CC[C@@H]1C[C@H]1C(=O)NCC[N@H+](CC#Cc1cccc(Cl)c1)CCOC ZINC001486432371 987292843 /nfs/dbraw/zinc/29/28/43/987292843.db2.gz UWXLKTCIWCDQIS-IEBWSBKVSA-N 1 2 362.901 2.802 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+]([C@H](C)c2cccc(OC)c2)C1 ZINC001031077324 987579552 /nfs/dbraw/zinc/57/95/52/987579552.db2.gz NXHBHVNPJQQSQY-XPGWFJOJSA-N 1 2 358.482 2.928 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)CC3CCCCCC3)[C@@H](O)C2)s1 ZINC001083817160 987771745 /nfs/dbraw/zinc/77/17/45/987771745.db2.gz OJQRMYBSPSXJKJ-MSOLQXFVSA-N 1 2 361.511 2.642 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)CC3CCCCCC3)[C@@H](O)C2)s1 ZINC001083817160 987771750 /nfs/dbraw/zinc/77/17/50/987771750.db2.gz OJQRMYBSPSXJKJ-MSOLQXFVSA-N 1 2 361.511 2.642 20 30 FFEDLO Cc1cccc2c1C[N@H+](CN1C(=O)N[C@](C)(c3cccc(C#N)c3)C1=O)CC2 ZINC000762088971 988107362 /nfs/dbraw/zinc/10/73/62/988107362.db2.gz WIZUXGXDYJWPSA-JOCHJYFZSA-N 1 2 374.444 2.650 20 30 FFEDLO Cc1cccc2c1C[N@@H+](CN1C(=O)N[C@](C)(c3cccc(C#N)c3)C1=O)CC2 ZINC000762088971 988107372 /nfs/dbraw/zinc/10/73/72/988107372.db2.gz WIZUXGXDYJWPSA-JOCHJYFZSA-N 1 2 374.444 2.650 20 30 FFEDLO CC(C)C[C@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)n1cc[nH+]c1 ZINC001168716857 988262843 /nfs/dbraw/zinc/26/28/43/988262843.db2.gz SHECRGZHZQOSGD-LJQANCHMSA-N 1 2 351.454 2.691 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001033087668 988768962 /nfs/dbraw/zinc/76/89/62/988768962.db2.gz XZIMQGIGIMCKCQ-LMMKCTJWSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001033087668 988768974 /nfs/dbraw/zinc/76/89/74/988768974.db2.gz XZIMQGIGIMCKCQ-LMMKCTJWSA-N 1 2 364.436 2.979 20 30 FFEDLO CO[C@@H]1C[C@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)Cc3cccnc3N2C1 ZINC000879267955 1015447598 /nfs/dbraw/zinc/44/75/98/1015447598.db2.gz BHPXGFQWIRHCIF-ZWKOTPCHSA-N 1 2 352.413 2.702 20 30 FFEDLO CO[C@@H]1C[C@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)Cc3cccnc3N2C1 ZINC000879267955 1015447606 /nfs/dbraw/zinc/44/76/06/1015447606.db2.gz BHPXGFQWIRHCIF-ZWKOTPCHSA-N 1 2 352.413 2.702 20 30 FFEDLO CO[C@H]1C[C@@H]2C[N@H+](Cc3cccc(C#N)c3F)Cc3cccnc3N2C1 ZINC000879268801 1015449792 /nfs/dbraw/zinc/44/97/92/1015449792.db2.gz GMSNYGRKCFDJJX-MSOLQXFVSA-N 1 2 352.413 2.702 20 30 FFEDLO CO[C@H]1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3F)Cc3cccnc3N2C1 ZINC000879268801 1015449800 /nfs/dbraw/zinc/44/98/00/1015449800.db2.gz GMSNYGRKCFDJJX-MSOLQXFVSA-N 1 2 352.413 2.702 20 30 FFEDLO C[C@]1(CNC(=O)C[C@@H]2C[C@H]2C2CC2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108089572 989288898 /nfs/dbraw/zinc/28/88/98/989288898.db2.gz KWJQXVLWHXWSPO-ONTIZHBOSA-N 1 2 367.493 2.702 20 30 FFEDLO C[C@]1(CNC(=O)C[C@@H]2C[C@H]2C2CC2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108089572 989288905 /nfs/dbraw/zinc/28/89/05/989288905.db2.gz KWJQXVLWHXWSPO-ONTIZHBOSA-N 1 2 367.493 2.702 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C=C2CCC2)C1 ZINC000993623435 989324138 /nfs/dbraw/zinc/32/41/38/989324138.db2.gz ILVLJTKRMHGCHM-IAGOWNOFSA-N 1 2 370.497 2.543 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[C@H]3CCC)C2)c1 ZINC001033402302 989569502 /nfs/dbraw/zinc/56/95/02/989569502.db2.gz NKAVKJKBZUEWMF-YZGWKJHDSA-N 1 2 367.493 2.575 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[C@H]3CCC)C2)c1 ZINC001033402302 989569510 /nfs/dbraw/zinc/56/95/10/989569510.db2.gz NKAVKJKBZUEWMF-YZGWKJHDSA-N 1 2 367.493 2.575 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC001033497991 989626751 /nfs/dbraw/zinc/62/67/51/989626751.db2.gz QPIIJJIHUYPQKF-LNLFQRSKSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001033497991 989626757 /nfs/dbraw/zinc/62/67/57/989626757.db2.gz QPIIJJIHUYPQKF-LNLFQRSKSA-N 1 2 364.436 2.979 20 30 FFEDLO COC[C@]1(C(=O)OC(C)(C)C)C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000879359984 1015498272 /nfs/dbraw/zinc/49/82/72/1015498272.db2.gz OCULSBBOYQZSAJ-YWZLYKJASA-N 1 2 360.454 2.678 20 30 FFEDLO COC[C@]1(C(=O)OC(C)(C)C)C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000879359984 1015498275 /nfs/dbraw/zinc/49/82/75/1015498275.db2.gz OCULSBBOYQZSAJ-YWZLYKJASA-N 1 2 360.454 2.678 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001034403458 990060042 /nfs/dbraw/zinc/06/00/42/990060042.db2.gz GSOVABYCAAQAAZ-ZCNNSNEGSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001034403458 990060048 /nfs/dbraw/zinc/06/00/48/990060048.db2.gz GSOVABYCAAQAAZ-ZCNNSNEGSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2nocc2C)C1 ZINC001034434498 990079901 /nfs/dbraw/zinc/07/99/01/990079901.db2.gz ALWAHGMXZZIDQW-LNLFQRSKSA-N 1 2 361.486 2.825 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2nocc2C)C1 ZINC001034434498 990079909 /nfs/dbraw/zinc/07/99/09/990079909.db2.gz ALWAHGMXZZIDQW-LNLFQRSKSA-N 1 2 361.486 2.825 20 30 FFEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC001035552558 990503429 /nfs/dbraw/zinc/50/34/29/990503429.db2.gz XYPMYHFAIVDZKU-PCCBWWKXSA-N 1 2 350.462 2.946 20 30 FFEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC001035552558 990503435 /nfs/dbraw/zinc/50/34/35/990503435.db2.gz XYPMYHFAIVDZKU-PCCBWWKXSA-N 1 2 350.462 2.946 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(CC)n1 ZINC001062043174 990669602 /nfs/dbraw/zinc/66/96/02/990669602.db2.gz XHRCOSOPRIUCGN-XDNAFOTISA-N 1 2 370.497 2.508 20 30 FFEDLO C#CCC1(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CCC1 ZINC000920545379 990872865 /nfs/dbraw/zinc/87/28/65/990872865.db2.gz HYIHHABTDJDCNR-UHFFFAOYSA-N 1 2 354.498 2.967 20 30 FFEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001089695191 991404930 /nfs/dbraw/zinc/40/49/30/991404930.db2.gz FQOGPMWJGXPIQA-BZUAXINKSA-N 1 2 364.921 2.883 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001089695191 991404935 /nfs/dbraw/zinc/40/49/35/991404935.db2.gz FQOGPMWJGXPIQA-BZUAXINKSA-N 1 2 364.921 2.883 20 30 FFEDLO N#Cc1ccc(NCCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)cn1 ZINC001063341717 991456722 /nfs/dbraw/zinc/45/67/22/991456722.db2.gz OHZLDKKWXAMCDF-QZTJIDSGSA-N 1 2 364.453 2.521 20 30 FFEDLO N#Cc1ccc(NCCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)cn1 ZINC001063341717 991456728 /nfs/dbraw/zinc/45/67/28/991456728.db2.gz OHZLDKKWXAMCDF-QZTJIDSGSA-N 1 2 364.453 2.521 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879689161 1015640122 /nfs/dbraw/zinc/64/01/22/1015640122.db2.gz KUQNQUFFAVXXLL-YJBOKZPZSA-N 1 2 361.449 2.765 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879689161 1015640133 /nfs/dbraw/zinc/64/01/33/1015640133.db2.gz KUQNQUFFAVXXLL-YJBOKZPZSA-N 1 2 361.449 2.765 20 30 FFEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CCC)CC2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129307977 991537867 /nfs/dbraw/zinc/53/78/67/991537867.db2.gz VYUHFZCKSIJGLW-ZCNNSNEGSA-N 1 2 371.529 2.640 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CCC)CC2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129307977 991537879 /nfs/dbraw/zinc/53/78/79/991537879.db2.gz VYUHFZCKSIJGLW-ZCNNSNEGSA-N 1 2 371.529 2.640 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]Cc3cnon3)C2)C1 ZINC001079309773 992011119 /nfs/dbraw/zinc/01/11/19/992011119.db2.gz QNNNXJDDIPGZGY-FUHWJXTLSA-N 1 2 370.428 2.649 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)on2)CC1(C)C ZINC000940752433 992139491 /nfs/dbraw/zinc/13/94/91/992139491.db2.gz CHAOXVYTBFKWRO-SQNIBIBYSA-N 1 2 361.486 2.681 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C)on2)CC1(C)C ZINC000940752433 992139496 /nfs/dbraw/zinc/13/94/96/992139496.db2.gz CHAOXVYTBFKWRO-SQNIBIBYSA-N 1 2 361.486 2.681 20 30 FFEDLO Cc1ccncc1CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001079880260 992522510 /nfs/dbraw/zinc/52/25/10/992522510.db2.gz BJNVUDKKPQFFAR-FOIQADDNSA-N 1 2 366.440 2.580 20 30 FFEDLO Cc1ccncc1CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001079880260 992522521 /nfs/dbraw/zinc/52/25/21/992522521.db2.gz BJNVUDKKPQFFAR-FOIQADDNSA-N 1 2 366.440 2.580 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2nsc3ccccc23)C[C@H]1OC ZINC001212348994 992918760 /nfs/dbraw/zinc/91/87/60/992918760.db2.gz FYHPQASAHGHUMR-IAGOWNOFSA-N 1 2 359.495 2.968 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2nsc3ccccc23)C[C@H]1OC ZINC001212348994 992918769 /nfs/dbraw/zinc/91/87/69/992918769.db2.gz FYHPQASAHGHUMR-IAGOWNOFSA-N 1 2 359.495 2.968 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001080598425 993217994 /nfs/dbraw/zinc/21/79/94/993217994.db2.gz AKTXMHJDRKKXGW-SIUPPRGNSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001080598425 993217998 /nfs/dbraw/zinc/21/79/98/993217998.db2.gz AKTXMHJDRKKXGW-SIUPPRGNSA-N 1 2 363.889 2.653 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001080850476 993413147 /nfs/dbraw/zinc/41/31/47/993413147.db2.gz QKLMLAYUBYWBHH-DYESRHJHSA-N 1 2 364.493 2.625 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001080850476 993413152 /nfs/dbraw/zinc/41/31/52/993413152.db2.gz QKLMLAYUBYWBHH-DYESRHJHSA-N 1 2 364.493 2.625 20 30 FFEDLO N#CCN[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1c1ccccc1 ZINC001081205138 993755225 /nfs/dbraw/zinc/75/52/25/993755225.db2.gz KZVLZCQGSNMKLU-LEWJYISDSA-N 1 2 371.444 2.594 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001081696931 993948213 /nfs/dbraw/zinc/94/82/13/993948213.db2.gz GQDJXTMHPAEWSP-DOIPELPJSA-N 1 2 368.521 2.926 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001081696931 993948223 /nfs/dbraw/zinc/94/82/23/993948223.db2.gz GQDJXTMHPAEWSP-DOIPELPJSA-N 1 2 368.521 2.926 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cccc(C)c1C ZINC001082352918 994442363 /nfs/dbraw/zinc/44/23/63/994442363.db2.gz UXDJUCKHUHBIEO-FGZHOGPDSA-N 1 2 362.473 2.784 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cccc(C)c1C ZINC001082352918 994442366 /nfs/dbraw/zinc/44/23/66/994442366.db2.gz UXDJUCKHUHBIEO-FGZHOGPDSA-N 1 2 362.473 2.784 20 30 FFEDLO COc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810532921 994813933 /nfs/dbraw/zinc/81/39/33/994813933.db2.gz WMTYPWYIPFGRPX-YJYMSZOUSA-N 1 2 361.417 2.555 20 30 FFEDLO COc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810532921 994813943 /nfs/dbraw/zinc/81/39/43/994813943.db2.gz WMTYPWYIPFGRPX-YJYMSZOUSA-N 1 2 361.417 2.555 20 30 FFEDLO N#Cc1ccc(NC(=O)COC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000811328535 995105672 /nfs/dbraw/zinc/10/56/72/995105672.db2.gz PJDWAPFAKZBUDL-UHFFFAOYSA-N 1 2 374.400 2.527 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)c1C ZINC000749153264 1015922245 /nfs/dbraw/zinc/92/22/45/1015922245.db2.gz LYVATBKTZKPCKB-GOSISDBHSA-N 1 2 357.498 2.951 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)c1C ZINC000749153264 1015922253 /nfs/dbraw/zinc/92/22/53/1015922253.db2.gz LYVATBKTZKPCKB-GOSISDBHSA-N 1 2 357.498 2.951 20 30 FFEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001054054924 1015937220 /nfs/dbraw/zinc/93/72/20/1015937220.db2.gz AQILDXSLWDYWAZ-HKBOAZHASA-N 1 2 352.478 2.534 20 30 FFEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001054054924 1015937223 /nfs/dbraw/zinc/93/72/23/1015937223.db2.gz AQILDXSLWDYWAZ-HKBOAZHASA-N 1 2 352.478 2.534 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC001082722917 995357690 /nfs/dbraw/zinc/35/76/90/995357690.db2.gz NHTJXZMIFXKBPZ-ZXYWRSMDSA-N 1 2 358.442 2.868 20 30 FFEDLO CN(C)S(=O)(=O)c1ccc(N[NH+]=Cc2ccc3c(c2)CCCN3C)cc1 ZINC000812231847 995378754 /nfs/dbraw/zinc/37/87/54/995378754.db2.gz HDSDUOBBRPEEHY-UHFFFAOYSA-N 1 2 372.494 2.765 20 30 FFEDLO C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cccc3[nH]cnc32)C[C@H]1C ZINC001082818775 995568616 /nfs/dbraw/zinc/56/86/16/995568616.db2.gz UEHRZKQJPXEUKW-QMTHXVAHSA-N 1 2 363.259 2.522 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(CC)o2)C1)c1ccccc1 ZINC001082937109 995868912 /nfs/dbraw/zinc/86/89/12/995868912.db2.gz KSYUSWJZMWOIQL-HYVNUMGLSA-N 1 2 354.454 2.538 20 30 FFEDLO Cc1ccccc1C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001082985624 995975573 /nfs/dbraw/zinc/97/55/73/995975573.db2.gz LEWWSJDKKCKWTH-RBUKOAKNSA-N 1 2 367.474 2.654 20 30 FFEDLO Cc1ccccc1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001082985624 995975580 /nfs/dbraw/zinc/97/55/80/995975580.db2.gz LEWWSJDKKCKWTH-RBUKOAKNSA-N 1 2 367.474 2.654 20 30 FFEDLO CC(C)=CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC001082988786 995984062 /nfs/dbraw/zinc/98/40/62/995984062.db2.gz MGYSJIBXMUEJFF-RBUKOAKNSA-N 1 2 358.869 2.569 20 30 FFEDLO CC(C)=CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC001082988786 995984067 /nfs/dbraw/zinc/98/40/67/995984067.db2.gz MGYSJIBXMUEJFF-RBUKOAKNSA-N 1 2 358.869 2.569 20 30 FFEDLO CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001083001757 995997898 /nfs/dbraw/zinc/99/78/98/995997898.db2.gz CNKISPFTASUBPF-ZWKOTPCHSA-N 1 2 359.445 2.545 20 30 FFEDLO CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001083001757 995997907 /nfs/dbraw/zinc/99/79/07/995997907.db2.gz CNKISPFTASUBPF-ZWKOTPCHSA-N 1 2 359.445 2.545 20 30 FFEDLO Cc1csc(C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@H]32)c1 ZINC001083074180 996027915 /nfs/dbraw/zinc/02/79/15/996027915.db2.gz IFBKZKIIKZBEQQ-ZWKOTPCHSA-N 1 2 367.474 2.654 20 30 FFEDLO Cc1csc(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@@H]32)c1 ZINC001083074180 996027922 /nfs/dbraw/zinc/02/79/22/996027922.db2.gz IFBKZKIIKZBEQQ-ZWKOTPCHSA-N 1 2 367.474 2.654 20 30 FFEDLO C[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC001083075544 996028832 /nfs/dbraw/zinc/02/88/32/996028832.db2.gz ZRIQTGPOLZVUQR-MDASCCDHSA-N 1 2 358.869 2.726 20 30 FFEDLO C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC001083075544 996028835 /nfs/dbraw/zinc/02/88/35/996028835.db2.gz ZRIQTGPOLZVUQR-MDASCCDHSA-N 1 2 358.869 2.726 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)C[C@H]4C=CCCC4)[C@H]3C2)s1 ZINC001083117770 996065469 /nfs/dbraw/zinc/06/54/69/996065469.db2.gz FZVJRUCJZBMYPH-ZYSHUDEJSA-N 1 2 371.506 2.778 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C[C@H]4C=CCCC4)[C@H]3C2)s1 ZINC001083117770 996065473 /nfs/dbraw/zinc/06/54/73/996065473.db2.gz FZVJRUCJZBMYPH-ZYSHUDEJSA-N 1 2 371.506 2.778 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)C4CC5(CCC5)C4)[C@H]3C2)s1 ZINC001083169617 996132918 /nfs/dbraw/zinc/13/29/18/996132918.db2.gz ZITGEPAFWOWKAP-ZWKOTPCHSA-N 1 2 371.506 2.612 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C4CC5(CCC5)C4)[C@H]3C2)s1 ZINC001083169617 996132921 /nfs/dbraw/zinc/13/29/21/996132921.db2.gz ZITGEPAFWOWKAP-ZWKOTPCHSA-N 1 2 371.506 2.612 20 30 FFEDLO Cc1cccc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)n1 ZINC001084194995 996327944 /nfs/dbraw/zinc/32/79/44/996327944.db2.gz NCDOJJPZALCIQU-OXQOHEQNSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)n1 ZINC001084194995 996327947 /nfs/dbraw/zinc/32/79/47/996327947.db2.gz NCDOJJPZALCIQU-OXQOHEQNSA-N 1 2 364.424 2.747 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC(F)(F)F)[C@@H]3C2)c(F)c1 ZINC001084216292 996365440 /nfs/dbraw/zinc/36/54/40/996365440.db2.gz COTDAQZLIWWLQV-UKRRQHHQSA-N 1 2 355.335 2.682 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CC(F)(F)F)[C@@H]3C2)c(F)c1 ZINC001084216292 996365443 /nfs/dbraw/zinc/36/54/43/996365443.db2.gz COTDAQZLIWWLQV-UKRRQHHQSA-N 1 2 355.335 2.682 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21)n1cccc1 ZINC001084285833 996391117 /nfs/dbraw/zinc/39/11/17/996391117.db2.gz QNIAXTCHEUIFSB-QKYXUNIQSA-N 1 2 366.440 2.793 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21)n1cccc1 ZINC001084285833 996391123 /nfs/dbraw/zinc/39/11/23/996391123.db2.gz QNIAXTCHEUIFSB-QKYXUNIQSA-N 1 2 366.440 2.793 20 30 FFEDLO CC(C)n1nccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084373832 996499040 /nfs/dbraw/zinc/49/90/40/996499040.db2.gz YIAYJLFDZJLDHZ-UYAOXDASSA-N 1 2 363.465 2.682 20 30 FFEDLO CC(C)n1nccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084373832 996499043 /nfs/dbraw/zinc/49/90/43/996499043.db2.gz YIAYJLFDZJLDHZ-UYAOXDASSA-N 1 2 363.465 2.682 20 30 FFEDLO CCc1cccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)n1 ZINC001084412808 996557048 /nfs/dbraw/zinc/55/70/48/996557048.db2.gz XECQGCIBFIWPJQ-AUUYWEPGSA-N 1 2 366.490 2.924 20 30 FFEDLO CCc1cccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)n1 ZINC001084412808 996557054 /nfs/dbraw/zinc/55/70/54/996557054.db2.gz XECQGCIBFIWPJQ-AUUYWEPGSA-N 1 2 366.490 2.924 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000803670505 1016045246 /nfs/dbraw/zinc/04/52/46/1016045246.db2.gz PNAZECJPVCPNGX-UHFFFAOYSA-N 1 2 373.497 2.918 20 30 FFEDLO COCc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)o1 ZINC001084503189 996627074 /nfs/dbraw/zinc/62/70/74/996627074.db2.gz XFBFMUMGVOFOEV-CXAGYDPISA-N 1 2 371.462 2.706 20 30 FFEDLO COCc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)o1 ZINC001084503189 996627077 /nfs/dbraw/zinc/62/70/77/996627077.db2.gz XFBFMUMGVOFOEV-CXAGYDPISA-N 1 2 371.462 2.706 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3occ4c3CCC4)[C@@H]2C1 ZINC001084548666 996668199 /nfs/dbraw/zinc/66/81/99/996668199.db2.gz WJFGZAAOKOYWFW-YLJYHZDGSA-N 1 2 361.445 2.986 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3occ4c3CCC4)[C@@H]2C1 ZINC001084548666 996668200 /nfs/dbraw/zinc/66/82/00/996668200.db2.gz WJFGZAAOKOYWFW-YLJYHZDGSA-N 1 2 361.445 2.986 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3cccc(N(C)C)c3)[C@@H]2C1 ZINC001084600837 996706092 /nfs/dbraw/zinc/70/60/92/996706092.db2.gz GTDOYMGASWGNCT-IEBWSBKVSA-N 1 2 361.917 2.970 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3cccc(N(C)C)c3)[C@@H]2C1 ZINC001084600837 996706095 /nfs/dbraw/zinc/70/60/95/996706095.db2.gz GTDOYMGASWGNCT-IEBWSBKVSA-N 1 2 361.917 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ocnc3C3CC3)[C@@H]2C1 ZINC001084659828 996777272 /nfs/dbraw/zinc/77/72/72/996777272.db2.gz CQEZJFNQXAFGKW-QZTJIDSGSA-N 1 2 362.433 2.770 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ocnc3C3CC3)[C@@H]2C1 ZINC001084659828 996777276 /nfs/dbraw/zinc/77/72/76/996777276.db2.gz CQEZJFNQXAFGKW-QZTJIDSGSA-N 1 2 362.433 2.770 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C4CC4)no3)C[C@H]21 ZINC001084715590 997053642 /nfs/dbraw/zinc/05/36/42/997053642.db2.gz NJDJIJTXNSNTEG-VUBSUSDNSA-N 1 2 371.481 2.566 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C4CC4)no3)C[C@H]21 ZINC001084715590 997053652 /nfs/dbraw/zinc/05/36/52/997053652.db2.gz NJDJIJTXNSNTEG-VUBSUSDNSA-N 1 2 371.481 2.566 20 30 FFEDLO COc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)o1 ZINC001084737071 997124932 /nfs/dbraw/zinc/12/49/32/997124932.db2.gz QNEWZRCIGYUNFT-RHSMWYFYSA-N 1 2 369.396 2.645 20 30 FFEDLO COc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)o1 ZINC001084737071 997124946 /nfs/dbraw/zinc/12/49/46/997124946.db2.gz QNEWZRCIGYUNFT-RHSMWYFYSA-N 1 2 369.396 2.645 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3nc(C(C)(C)C)no3)[C@@H]2C1 ZINC001084826997 997565818 /nfs/dbraw/zinc/56/58/18/997565818.db2.gz FHLVIRLQJDZELS-ZIAGYGMSSA-N 1 2 366.893 2.585 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3nc(C(C)(C)C)no3)[C@@H]2C1 ZINC001084826997 997565830 /nfs/dbraw/zinc/56/58/30/997565830.db2.gz FHLVIRLQJDZELS-ZIAGYGMSSA-N 1 2 366.893 2.585 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3nc(C)cc3C)[C@@H]2C1 ZINC001084832397 997584772 /nfs/dbraw/zinc/58/47/72/997584772.db2.gz DJSRRMDDPICKLY-BRWVUGGUSA-N 1 2 350.894 2.736 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3nc(C)cc3C)[C@@H]2C1 ZINC001084832397 997584784 /nfs/dbraw/zinc/58/47/84/997584784.db2.gz DJSRRMDDPICKLY-BRWVUGGUSA-N 1 2 350.894 2.736 20 30 FFEDLO Cc1noc(C[C@@H]2C[C@H]3C[N@H+](Cc4c(Cl)cccc4C#N)C[C@H]3O2)n1 ZINC001143723539 997600897 /nfs/dbraw/zinc/60/08/97/997600897.db2.gz GQPMHAKAJZBQJA-GRDNDAEWSA-N 1 2 358.829 2.735 20 30 FFEDLO Cc1noc(C[C@@H]2C[C@H]3C[N@@H+](Cc4c(Cl)cccc4C#N)C[C@H]3O2)n1 ZINC001143723539 997600906 /nfs/dbraw/zinc/60/09/06/997600906.db2.gz GQPMHAKAJZBQJA-GRDNDAEWSA-N 1 2 358.829 2.735 20 30 FFEDLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844330245 997788086 /nfs/dbraw/zinc/78/80/86/997788086.db2.gz NQLKLAAOPDYVTA-INIZCTEOSA-N 1 2 360.414 2.957 20 30 FFEDLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844330245 997788098 /nfs/dbraw/zinc/78/80/98/997788098.db2.gz NQLKLAAOPDYVTA-INIZCTEOSA-N 1 2 360.414 2.957 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)COC3CCCC3)C[C@@H]21 ZINC001084896031 997910729 /nfs/dbraw/zinc/91/07/29/997910729.db2.gz XSAAKVUEGQXAHH-ZBFHGGJFSA-N 1 2 371.319 2.777 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)COC3CCCC3)C[C@@H]21 ZINC001084896031 997910741 /nfs/dbraw/zinc/91/07/41/997910741.db2.gz XSAAKVUEGQXAHH-ZBFHGGJFSA-N 1 2 371.319 2.777 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cscn3)C[C@@H]21 ZINC001084901036 997958640 /nfs/dbraw/zinc/95/86/40/997958640.db2.gz IRQOAAVVWBALLN-ACJLOTCBSA-N 1 2 370.453 2.890 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3cscn3)C[C@@H]21 ZINC001084901036 997958656 /nfs/dbraw/zinc/95/86/56/997958656.db2.gz IRQOAAVVWBALLN-ACJLOTCBSA-N 1 2 370.453 2.890 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3[nH]nc4ccc(F)cc43)C2)CC1 ZINC001144191774 998116007 /nfs/dbraw/zinc/11/60/07/998116007.db2.gz ZNBROIFZSOFQQD-UHFFFAOYSA-N 1 2 358.417 2.922 20 30 FFEDLO C#CCCCCC(=O)N1CCO[C@@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@@H]21 ZINC001091044347 998309186 /nfs/dbraw/zinc/30/91/86/998309186.db2.gz HZTBQSSQLZEPFJ-ZWKOTPCHSA-N 1 2 370.497 2.518 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccsn3)C[C@@H]21 ZINC001084968294 998414653 /nfs/dbraw/zinc/41/46/53/998414653.db2.gz ZHNWTFZMSZUEES-ACJLOTCBSA-N 1 2 370.453 2.890 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccsn3)C[C@@H]21 ZINC001084968294 998414662 /nfs/dbraw/zinc/41/46/62/998414662.db2.gz ZHNWTFZMSZUEES-ACJLOTCBSA-N 1 2 370.453 2.890 20 30 FFEDLO Cc1ccc2[nH+]cc(CN3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)n2c1 ZINC001137304741 1016251963 /nfs/dbraw/zinc/25/19/63/1016251963.db2.gz IXEKUMCWWBSZJO-HNNXBMFYSA-N 1 2 355.442 2.588 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@](C)(CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001065488638 999114437 /nfs/dbraw/zinc/11/44/37/999114437.db2.gz CVWLIPRLPVGNQS-LLGFUMIMSA-N 1 2 370.497 2.904 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3C[C@H]3CCC)CC2)C1 ZINC001065707426 999124080 /nfs/dbraw/zinc/12/40/80/999124080.db2.gz TXESDBVPYWAKBY-GUDVDZBRSA-N 1 2 361.530 2.524 20 30 FFEDLO C=CCCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3C[C@H]3CCC)CC2)C1 ZINC001065713508 999125471 /nfs/dbraw/zinc/12/54/71/999125471.db2.gz UYZCKWIGSULBET-GUDVDZBRSA-N 1 2 361.530 2.524 20 30 FFEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001085736600 999617255 /nfs/dbraw/zinc/61/72/55/999617255.db2.gz OUSZCNSQYPOAGB-NSHGMRRFSA-N 1 2 371.456 2.545 20 30 FFEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001085736600 999617257 /nfs/dbraw/zinc/61/72/57/999617257.db2.gz OUSZCNSQYPOAGB-NSHGMRRFSA-N 1 2 371.456 2.545 20 30 FFEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001085731043 999618256 /nfs/dbraw/zinc/61/82/56/999618256.db2.gz PIAVBFNRDGJYOU-TXJVSEOTSA-N 1 2 371.456 2.545 20 30 FFEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001085731043 999618258 /nfs/dbraw/zinc/61/82/58/999618258.db2.gz PIAVBFNRDGJYOU-TXJVSEOTSA-N 1 2 371.456 2.545 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnc(C)s1 ZINC001085862910 999659461 /nfs/dbraw/zinc/65/94/61/999659461.db2.gz LRWPBQXVVKRTAK-NJAFHUGGSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnc(C)s1 ZINC001085862910 999659464 /nfs/dbraw/zinc/65/94/64/999659464.db2.gz LRWPBQXVVKRTAK-NJAFHUGGSA-N 1 2 363.527 2.856 20 30 FFEDLO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000741466300 999728649 /nfs/dbraw/zinc/72/86/49/999728649.db2.gz LUCCSVDBLGTABL-QAIWHXNASA-N 1 2 368.437 2.930 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000741789116 999742693 /nfs/dbraw/zinc/74/26/93/999742693.db2.gz TTYVRJOMIJHVFG-UZLBHIALSA-N 1 2 364.449 2.546 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCc3sccc3C1)C2 ZINC001096595606 1016353118 /nfs/dbraw/zinc/35/31/18/1016353118.db2.gz MDWKZXKWHUOWNI-PMPSAXMXSA-N 1 2 365.930 2.580 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCc3sccc3C1)C2 ZINC001096595606 1016353125 /nfs/dbraw/zinc/35/31/25/1016353125.db2.gz MDWKZXKWHUOWNI-PMPSAXMXSA-N 1 2 365.930 2.580 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1O ZINC001090415057 999984375 /nfs/dbraw/zinc/98/43/75/999984375.db2.gz VWHIRCSJTLYFRX-QZTJIDSGSA-N 1 2 362.518 2.818 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000767042221 1000096846 /nfs/dbraw/zinc/09/68/46/1000096846.db2.gz ZGPXQPDBGKUHQP-FQEVSTJZSA-N 1 2 367.424 2.729 20 30 FFEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)c(F)c1 ZINC001108947265 1000137277 /nfs/dbraw/zinc/13/72/77/1000137277.db2.gz LKABRIATTLDQDT-KCXAZCMYSA-N 1 2 367.877 2.957 20 30 FFEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)c(F)c1 ZINC001108947265 1000137278 /nfs/dbraw/zinc/13/72/78/1000137278.db2.gz LKABRIATTLDQDT-KCXAZCMYSA-N 1 2 367.877 2.957 20 30 FFEDLO CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001108969894 1000140630 /nfs/dbraw/zinc/14/06/30/1000140630.db2.gz MWEZWQLTTWDFGZ-OAOYMFHYSA-N 1 2 360.885 2.838 20 30 FFEDLO CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001108969894 1000140631 /nfs/dbraw/zinc/14/06/31/1000140631.db2.gz MWEZWQLTTWDFGZ-OAOYMFHYSA-N 1 2 360.885 2.838 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109019811 1000151190 /nfs/dbraw/zinc/15/11/90/1000151190.db2.gz LDKBTFQNIGRAGT-JBCDFXQESA-N 1 2 373.472 2.980 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109019811 1000151191 /nfs/dbraw/zinc/15/11/91/1000151191.db2.gz LDKBTFQNIGRAGT-JBCDFXQESA-N 1 2 373.472 2.980 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccncc1Cl ZINC001109038164 1000157290 /nfs/dbraw/zinc/15/72/90/1000157290.db2.gz MMSIAKHFODAVSS-DHXZDTOLSA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccncc1Cl ZINC001109038164 1000157292 /nfs/dbraw/zinc/15/72/92/1000157292.db2.gz MMSIAKHFODAVSS-DHXZDTOLSA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)Nc1ccccc1OC ZINC001109054993 1000160149 /nfs/dbraw/zinc/16/01/49/1000160149.db2.gz JOCNXSGKOGDSDF-LMSBXDPUSA-N 1 2 371.481 2.710 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)Nc1ccccc1OC ZINC001109054993 1000160150 /nfs/dbraw/zinc/16/01/50/1000160150.db2.gz JOCNXSGKOGDSDF-LMSBXDPUSA-N 1 2 371.481 2.710 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+](CN3CC4(CC3=O)CCOCC4)CC2)cc1 ZINC000767986715 1000167628 /nfs/dbraw/zinc/16/76/28/1000167628.db2.gz LSUNGQFMXHJFTR-UHFFFAOYSA-N 1 2 351.450 2.634 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+](CN3CC4(CC3=O)CCOCC4)CC2)cc1 ZINC000767986715 1000167629 /nfs/dbraw/zinc/16/76/29/1000167629.db2.gz LSUNGQFMXHJFTR-UHFFFAOYSA-N 1 2 351.450 2.634 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(Cl)c1 ZINC001109120289 1000169759 /nfs/dbraw/zinc/16/97/59/1000169759.db2.gz MATRTDOMPHSIIZ-IKGGRYGDSA-N 1 2 363.889 2.939 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(Cl)c1 ZINC001109120289 1000169762 /nfs/dbraw/zinc/16/97/62/1000169762.db2.gz MATRTDOMPHSIIZ-IKGGRYGDSA-N 1 2 363.889 2.939 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cscc1C)C2 ZINC001109120050 1000169983 /nfs/dbraw/zinc/16/99/83/1000169983.db2.gz AAZCXYJUTAFTRS-NJAFHUGGSA-N 1 2 373.522 2.592 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cscc1C)C2 ZINC001109120050 1000169984 /nfs/dbraw/zinc/16/99/84/1000169984.db2.gz AAZCXYJUTAFTRS-NJAFHUGGSA-N 1 2 373.522 2.592 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)Nc1cccc(F)c1 ZINC001109206215 1000186145 /nfs/dbraw/zinc/18/61/45/1000186145.db2.gz MCZKMCSICFLREO-OAOYMFHYSA-N 1 2 371.456 2.678 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)Nc1cccc(F)c1 ZINC001109206215 1000186146 /nfs/dbraw/zinc/18/61/46/1000186146.db2.gz MCZKMCSICFLREO-OAOYMFHYSA-N 1 2 371.456 2.678 20 30 FFEDLO COC1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)CCC1 ZINC001109215701 1000189481 /nfs/dbraw/zinc/18/94/81/1000189481.db2.gz RWSSBJGAGRMDOA-NEWSRXKRSA-N 1 2 371.456 2.878 20 30 FFEDLO COC1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)CCC1 ZINC001109215701 1000189483 /nfs/dbraw/zinc/18/94/83/1000189483.db2.gz RWSSBJGAGRMDOA-NEWSRXKRSA-N 1 2 371.456 2.878 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1)C(C)C ZINC001109266217 1000206838 /nfs/dbraw/zinc/20/68/38/1000206838.db2.gz QHUXELZKGSOBLD-GTAWCEEGSA-N 1 2 373.472 2.980 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1)C(C)C ZINC001109266217 1000206842 /nfs/dbraw/zinc/20/68/42/1000206842.db2.gz QHUXELZKGSOBLD-GTAWCEEGSA-N 1 2 373.472 2.980 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F)C(C)C ZINC001109265988 1000207354 /nfs/dbraw/zinc/20/73/54/1000207354.db2.gz JMSKDDXAZWNTRG-GTAWCEEGSA-N 1 2 373.472 2.980 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F)C(C)C ZINC001109265988 1000207358 /nfs/dbraw/zinc/20/73/58/1000207358.db2.gz JMSKDDXAZWNTRG-GTAWCEEGSA-N 1 2 373.472 2.980 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001109271533 1000213514 /nfs/dbraw/zinc/21/35/14/1000213514.db2.gz RJYDSBIVJKRJII-ZVZYQTTQSA-N 1 2 358.486 2.585 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCC1 ZINC001109329117 1000278895 /nfs/dbraw/zinc/27/88/95/1000278895.db2.gz MWNTXNAWNGRKNS-QYZOEREBSA-N 1 2 359.514 2.535 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCC1 ZINC001109329117 1000278897 /nfs/dbraw/zinc/27/88/97/1000278897.db2.gz MWNTXNAWNGRKNS-QYZOEREBSA-N 1 2 359.514 2.535 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCCC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001091279119 1000363527 /nfs/dbraw/zinc/36/35/27/1000363527.db2.gz QFVXNSBRAFFKHD-IAGOWNOFSA-N 1 2 368.485 2.971 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(OC)ccn2)CCC1 ZINC001109392214 1000371337 /nfs/dbraw/zinc/37/13/37/1000371337.db2.gz VJXQVZSYXGWSMH-NEWSRXKRSA-N 1 2 353.466 2.505 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(OC)ccn2)CCC1 ZINC001109392214 1000371343 /nfs/dbraw/zinc/37/13/43/1000371343.db2.gz VJXQVZSYXGWSMH-NEWSRXKRSA-N 1 2 353.466 2.505 20 30 FFEDLO C=CCCn1cc(C[N@H+](C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)nn1 ZINC000846833099 1000441820 /nfs/dbraw/zinc/44/18/20/1000441820.db2.gz WNQHKPXHIBUWJF-KRWDZBQOSA-N 1 2 361.490 2.828 20 30 FFEDLO C=CCCn1cc(C[N@@H+](C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)nn1 ZINC000846833099 1000441824 /nfs/dbraw/zinc/44/18/24/1000441824.db2.gz WNQHKPXHIBUWJF-KRWDZBQOSA-N 1 2 361.490 2.828 20 30 FFEDLO COCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109524167 1000593725 /nfs/dbraw/zinc/59/37/25/1000593725.db2.gz FECVEYDIIXWEFQ-NJAFHUGGSA-N 1 2 359.445 2.591 20 30 FFEDLO COCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109524167 1000593728 /nfs/dbraw/zinc/59/37/28/1000593728.db2.gz FECVEYDIIXWEFQ-NJAFHUGGSA-N 1 2 359.445 2.591 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)ccc1C1CC1)C2 ZINC001109549111 1000625337 /nfs/dbraw/zinc/62/53/37/1000625337.db2.gz KGLGMEQYKOQRRK-UXPWSPDFSA-N 1 2 367.493 2.510 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)ccc1C1CC1)C2 ZINC001109549111 1000625341 /nfs/dbraw/zinc/62/53/41/1000625341.db2.gz KGLGMEQYKOQRRK-UXPWSPDFSA-N 1 2 367.493 2.510 20 30 FFEDLO C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001146223541 1000643630 /nfs/dbraw/zinc/64/36/30/1000643630.db2.gz YXZRNSDZHJSGCY-AUUYWEPGSA-N 1 2 360.458 2.585 20 30 FFEDLO C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001146223541 1000643637 /nfs/dbraw/zinc/64/36/37/1000643637.db2.gz YXZRNSDZHJSGCY-AUUYWEPGSA-N 1 2 360.458 2.585 20 30 FFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 ZINC000769977253 1000645843 /nfs/dbraw/zinc/64/58/43/1000645843.db2.gz BVVZUQVGDVHFAI-AWEZNQCLSA-N 1 2 364.449 2.866 20 30 FFEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 ZINC000769977253 1000645848 /nfs/dbraw/zinc/64/58/48/1000645848.db2.gz BVVZUQVGDVHFAI-AWEZNQCLSA-N 1 2 364.449 2.866 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001109563152 1000647486 /nfs/dbraw/zinc/64/74/86/1000647486.db2.gz JTVUFAOIABJLKX-DRMAHVMPSA-N 1 2 363.527 2.902 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001109563152 1000647488 /nfs/dbraw/zinc/64/74/88/1000647488.db2.gz JTVUFAOIABJLKX-DRMAHVMPSA-N 1 2 363.527 2.902 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1)C1CCC1 ZINC001109574268 1000663604 /nfs/dbraw/zinc/66/36/04/1000663604.db2.gz UTUVUZMWBIMVCQ-GTAWCEEGSA-N 1 2 371.456 2.734 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1)C1CCC1 ZINC001109574268 1000663609 /nfs/dbraw/zinc/66/36/09/1000663609.db2.gz UTUVUZMWBIMVCQ-GTAWCEEGSA-N 1 2 371.456 2.734 20 30 FFEDLO CCC[C@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109592223 1000689381 /nfs/dbraw/zinc/68/93/81/1000689381.db2.gz LHWRZEZHVVFZMV-BVBHFADKSA-N 1 2 359.445 2.734 20 30 FFEDLO CCC[C@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109592223 1000689386 /nfs/dbraw/zinc/68/93/86/1000689386.db2.gz LHWRZEZHVVFZMV-BVBHFADKSA-N 1 2 359.445 2.734 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cn(C)nc1C(F)F ZINC001109603155 1000698848 /nfs/dbraw/zinc/69/88/48/1000698848.db2.gz JLWAHEDRUKLZNP-RDBSUJKOSA-N 1 2 352.429 2.791 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cn(C)nc1C(F)F ZINC001109603155 1000698851 /nfs/dbraw/zinc/69/88/51/1000698851.db2.gz JLWAHEDRUKLZNP-RDBSUJKOSA-N 1 2 352.429 2.791 20 30 FFEDLO CCCCCCCC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001111435311 1016435735 /nfs/dbraw/zinc/43/57/35/1016435735.db2.gz IFGIVXMWILAOPS-TVFCKZIOSA-N 1 2 351.535 2.841 20 30 FFEDLO CCCCCCCC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001111435311 1016435739 /nfs/dbraw/zinc/43/57/39/1016435739.db2.gz IFGIVXMWILAOPS-TVFCKZIOSA-N 1 2 351.535 2.841 20 30 FFEDLO C=CCCOCC(=O)NC[C@H]1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091587198 1000735064 /nfs/dbraw/zinc/73/50/64/1000735064.db2.gz OJMBJNTYPXUXGY-DOTOQJQBSA-N 1 2 358.486 2.952 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F)C(C)C ZINC001109677167 1000820249 /nfs/dbraw/zinc/82/02/49/1000820249.db2.gz KZSHDSGZYOXCPV-BVBHFADKSA-N 1 2 359.445 2.590 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F)C(C)C ZINC001109677167 1000820252 /nfs/dbraw/zinc/82/02/52/1000820252.db2.gz KZSHDSGZYOXCPV-BVBHFADKSA-N 1 2 359.445 2.590 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2csc(-c3ccccc3OC)n2)CC1 ZINC001147283777 1000870587 /nfs/dbraw/zinc/87/05/87/1000870587.db2.gz RPCVPWWSMQNJED-UHFFFAOYSA-N 1 2 355.463 2.600 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2csc(-c3ccccc3OC)n2)CC1 ZINC001147283777 1000870593 /nfs/dbraw/zinc/87/05/93/1000870593.db2.gz RPCVPWWSMQNJED-UHFFFAOYSA-N 1 2 355.463 2.600 20 30 FFEDLO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCc1cccc2[nH+]ccn21 ZINC000770919036 1000953618 /nfs/dbraw/zinc/95/36/18/1000953618.db2.gz DPOBIDFIFCSONZ-UHFFFAOYSA-N 1 2 374.404 2.542 20 30 FFEDLO O=C(OCC#Cc1ccc(F)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000771366060 1001089657 /nfs/dbraw/zinc/08/96/57/1001089657.db2.gz HPJSRENMQPFCBH-HXUWFJFHSA-N 1 2 353.393 2.621 20 30 FFEDLO O=C(OCC#Cc1ccc(F)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000771366060 1001089663 /nfs/dbraw/zinc/08/96/63/1001089663.db2.gz HPJSRENMQPFCBH-HXUWFJFHSA-N 1 2 353.393 2.621 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3cccs3)o1)C2 ZINC001110051405 1001386285 /nfs/dbraw/zinc/38/62/85/1001386285.db2.gz XOJCWJAXOSFTFT-PMPSAXMXSA-N 1 2 370.474 2.993 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3cccs3)o1)C2 ZINC001110051405 1001386289 /nfs/dbraw/zinc/38/62/89/1001386289.db2.gz XOJCWJAXOSFTFT-PMPSAXMXSA-N 1 2 370.474 2.993 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOc1ccccc1OC)C2 ZINC001110060136 1001410361 /nfs/dbraw/zinc/41/03/61/1001410361.db2.gz BWAAYUGLRBZCKU-PMPSAXMXSA-N 1 2 364.873 2.938 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOc1ccccc1OC)C2 ZINC001110060136 1001410364 /nfs/dbraw/zinc/41/03/64/1001410364.db2.gz BWAAYUGLRBZCKU-PMPSAXMXSA-N 1 2 364.873 2.938 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(F)ccc1Cl)C2 ZINC001276191570 1016502630 /nfs/dbraw/zinc/50/26/30/1016502630.db2.gz MLNYFUFAUPQAPG-GOSISDBHSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(F)ccc1Cl)C2 ZINC001276191570 1016502642 /nfs/dbraw/zinc/50/26/42/1016502642.db2.gz MLNYFUFAUPQAPG-GOSISDBHSA-N 1 2 352.837 2.716 20 30 FFEDLO CCc1cccc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000786742581 1001620893 /nfs/dbraw/zinc/62/08/93/1001620893.db2.gz RPNITACGGGZWEZ-UHFFFAOYSA-N 1 2 353.466 2.918 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000746650675 1001672987 /nfs/dbraw/zinc/67/29/87/1001672987.db2.gz LZLLAQIZRVSRGQ-SFHVURJKSA-N 1 2 353.397 2.836 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000746650675 1001672989 /nfs/dbraw/zinc/67/29/89/1001672989.db2.gz LZLLAQIZRVSRGQ-SFHVURJKSA-N 1 2 353.397 2.836 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001096788389 1016543006 /nfs/dbraw/zinc/54/30/06/1016543006.db2.gz IVLHJDBJMZBWRD-QRVBRYPASA-N 1 2 367.424 2.817 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001096788389 1016543015 /nfs/dbraw/zinc/54/30/15/1016543015.db2.gz IVLHJDBJMZBWRD-QRVBRYPASA-N 1 2 367.424 2.817 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001091911820 1002064382 /nfs/dbraw/zinc/06/43/82/1002064382.db2.gz YIWLVSKJAUBART-QRWLVFNGSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001091911820 1002064395 /nfs/dbraw/zinc/06/43/95/1002064395.db2.gz YIWLVSKJAUBART-QRWLVFNGSA-N 1 2 357.502 2.565 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(CCCC)no3)C[C@@]2(C)C1 ZINC001091916655 1002066000 /nfs/dbraw/zinc/06/60/00/1002066000.db2.gz KRVRJZQTGMGTQX-QRWLVFNGSA-N 1 2 360.502 2.905 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nc(CCCC)no3)C[C@@]2(C)C1 ZINC001091916655 1002066006 /nfs/dbraw/zinc/06/60/06/1002066006.db2.gz KRVRJZQTGMGTQX-QRWLVFNGSA-N 1 2 360.502 2.905 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)[C@H]1CCCO1 ZINC001096770684 1016572451 /nfs/dbraw/zinc/57/24/51/1016572451.db2.gz PRZXFFPTNYHZNT-AKHDSKFASA-N 1 2 358.869 2.592 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)[C@H]1CCCO1 ZINC001096770684 1016572465 /nfs/dbraw/zinc/57/24/65/1016572465.db2.gz PRZXFFPTNYHZNT-AKHDSKFASA-N 1 2 358.869 2.592 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(CCC)no3)C[C@@]2(C)C1 ZINC001091978484 1002239854 /nfs/dbraw/zinc/23/98/54/1002239854.db2.gz STYHVMMZSRVBJQ-YSGRDPCXSA-N 1 2 360.502 2.905 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3nc(CCC)no3)C[C@@]2(C)C1 ZINC001091978484 1002239859 /nfs/dbraw/zinc/23/98/59/1002239859.db2.gz STYHVMMZSRVBJQ-YSGRDPCXSA-N 1 2 360.502 2.905 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C)ncn2)C1 ZINC001086582670 1002276709 /nfs/dbraw/zinc/27/67/09/1002276709.db2.gz BTIZTZRKTCYTJP-FUHWJXTLSA-N 1 2 356.857 2.735 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C)ncn2)C1 ZINC001086582670 1002276714 /nfs/dbraw/zinc/27/67/14/1002276714.db2.gz BTIZTZRKTCYTJP-FUHWJXTLSA-N 1 2 356.857 2.735 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cccnc2)C1 ZINC001086583575 1002293577 /nfs/dbraw/zinc/29/35/77/1002293577.db2.gz UCCFHPHKBBWRNA-RBUKOAKNSA-N 1 2 355.869 2.961 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cccnc2)C1 ZINC001086583575 1002293586 /nfs/dbraw/zinc/29/35/86/1002293586.db2.gz UCCFHPHKBBWRNA-RBUKOAKNSA-N 1 2 355.869 2.961 20 30 FFEDLO CC(C)C[C@H](C(=O)N[C@H]1CCN(c2ccncc2C#N)[C@@H]1C)n1cc[nH+]c1 ZINC001092024454 1002304261 /nfs/dbraw/zinc/30/42/61/1002304261.db2.gz QIXDTGAZKSHHKY-HHXXYDBFSA-N 1 2 366.469 2.521 20 30 FFEDLO CC(C)C[C@@H](C(=O)N[C@H]1CCN(c2ccc(C#N)cn2)[C@@H]1C)n1cc[nH+]c1 ZINC001092024544 1002304296 /nfs/dbraw/zinc/30/42/96/1002304296.db2.gz UEINBQHPPAEZQI-NJAFHUGGSA-N 1 2 366.469 2.521 20 30 FFEDLO Cc1c(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cnn1C ZINC000790452439 1002382801 /nfs/dbraw/zinc/38/28/01/1002382801.db2.gz MCIAMJSEAHUSIN-QGZVFWFLSA-N 1 2 353.470 2.804 20 30 FFEDLO Cc1c(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cnn1C ZINC000790452439 1002382809 /nfs/dbraw/zinc/38/28/09/1002382809.db2.gz MCIAMJSEAHUSIN-QGZVFWFLSA-N 1 2 353.470 2.804 20 30 FFEDLO CC(C)[C@H]1COCCN1C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183829880 1002402275 /nfs/dbraw/zinc/40/22/75/1002402275.db2.gz AGRXZJPIRRNUAQ-VQTJNVASSA-N 1 2 355.482 2.796 20 30 FFEDLO CC(C)[C@H]1COCCN1C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183829880 1002402280 /nfs/dbraw/zinc/40/22/80/1002402280.db2.gz AGRXZJPIRRNUAQ-VQTJNVASSA-N 1 2 355.482 2.796 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)n1ccc(Cl)c(N)c1=N ZINC001183829362 1002402357 /nfs/dbraw/zinc/40/23/57/1002402357.db2.gz MQEUPTHFBSWPMF-INIZCTEOSA-N 1 2 369.856 2.770 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)n1ccc(Cl)c(N)c1=N ZINC001183829362 1002402365 /nfs/dbraw/zinc/40/23/65/1002402365.db2.gz MQEUPTHFBSWPMF-INIZCTEOSA-N 1 2 369.856 2.770 20 30 FFEDLO CC1(C)C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CCO1 ZINC001183838968 1002406866 /nfs/dbraw/zinc/40/68/66/1002406866.db2.gz OXTOVSMUGZXQCB-RBUKOAKNSA-N 1 2 355.482 2.987 20 30 FFEDLO CC1(C)C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)CCO1 ZINC001183838968 1002406870 /nfs/dbraw/zinc/40/68/70/1002406870.db2.gz OXTOVSMUGZXQCB-RBUKOAKNSA-N 1 2 355.482 2.987 20 30 FFEDLO C=CCOC(=O)N1CCC(OC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000790845169 1002497060 /nfs/dbraw/zinc/49/70/60/1002497060.db2.gz JXGHDTYOBRAAKL-UHFFFAOYSA-N 1 2 355.394 2.816 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)[nH]n1 ZINC001096822711 1016652945 /nfs/dbraw/zinc/65/29/45/1016652945.db2.gz UTFPOPXXODMOTR-SUMDDJOVSA-N 1 2 367.428 2.518 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)[nH]n1 ZINC001096822711 1016652955 /nfs/dbraw/zinc/65/29/55/1016652955.db2.gz UTFPOPXXODMOTR-SUMDDJOVSA-N 1 2 367.428 2.518 20 30 FFEDLO COc1cccc(C[NH+]2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC001184739332 1002710836 /nfs/dbraw/zinc/71/08/36/1002710836.db2.gz QGHKXRQXLWGPKV-UHFFFAOYSA-N 1 2 350.422 2.917 20 30 FFEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccsc1)c1nccn12 ZINC001092378760 1002757508 /nfs/dbraw/zinc/75/75/08/1002757508.db2.gz QVYUPXJRQRHEIG-ARFHVFGLSA-N 1 2 354.479 2.506 20 30 FFEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)c1nccn12 ZINC001092404409 1002780048 /nfs/dbraw/zinc/78/00/48/1002780048.db2.gz VLZVBPWGCLLMGY-LQWHRVPQSA-N 1 2 362.477 2.835 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2ncoc2C(C)C)CC1 ZINC001001163343 1016671623 /nfs/dbraw/zinc/67/16/23/1016671623.db2.gz LVZULBKYBFYZCX-AEFFLSMTSA-N 1 2 359.470 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2ncoc2C(C)C)CC1 ZINC001001163343 1016671633 /nfs/dbraw/zinc/67/16/33/1016671633.db2.gz LVZULBKYBFYZCX-AEFFLSMTSA-N 1 2 359.470 2.637 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccncc2F)C3)cc1F ZINC001096908505 1016720633 /nfs/dbraw/zinc/72/06/33/1016720633.db2.gz MYTFXJJVLQSRNR-ZMYBRWDISA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccncc2F)C3)cc1F ZINC001096908505 1016720644 /nfs/dbraw/zinc/72/06/44/1016720644.db2.gz MYTFXJJVLQSRNR-ZMYBRWDISA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1cccc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1F ZINC000774961538 1003139172 /nfs/dbraw/zinc/13/91/72/1003139172.db2.gz PSOMYXOGFRUUQK-SFHVURJKSA-N 1 2 354.381 2.642 20 30 FFEDLO N#Cc1cccc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1F ZINC000774961538 1003139182 /nfs/dbraw/zinc/13/91/82/1003139182.db2.gz PSOMYXOGFRUUQK-SFHVURJKSA-N 1 2 354.381 2.642 20 30 FFEDLO COC(=O)c1cn2c(n1)C[N@H+](C1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC001170396426 1003141930 /nfs/dbraw/zinc/14/19/30/1003141930.db2.gz ZWUZRTDPPZSLKR-UHFFFAOYSA-N 1 2 364.449 2.889 20 30 FFEDLO COC(=O)c1cn2c(n1)C[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC001170396426 1003141936 /nfs/dbraw/zinc/14/19/36/1003141936.db2.gz ZWUZRTDPPZSLKR-UHFFFAOYSA-N 1 2 364.449 2.889 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2csnn2)C[C@H]1C ZINC001092677313 1003406173 /nfs/dbraw/zinc/40/61/73/1003406173.db2.gz BOMZXZLWBBJSDW-QLFBSQMISA-N 1 2 359.499 2.585 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2csnn2)C[C@H]1C ZINC001092677313 1003406185 /nfs/dbraw/zinc/40/61/85/1003406185.db2.gz BOMZXZLWBBJSDW-QLFBSQMISA-N 1 2 359.499 2.585 20 30 FFEDLO CC(C)=CCC[C@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001196346286 1003748718 /nfs/dbraw/zinc/74/87/18/1003748718.db2.gz WWHJSXSOFVHFCI-IOMROCGXSA-N 1 2 369.509 2.992 20 30 FFEDLO CC(C)=CCC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001196346286 1003748721 /nfs/dbraw/zinc/74/87/21/1003748721.db2.gz WWHJSXSOFVHFCI-IOMROCGXSA-N 1 2 369.509 2.992 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000804809402 1003851494 /nfs/dbraw/zinc/85/14/94/1003851494.db2.gz ALBYQYUGZUGULT-MOPGFXCFSA-N 1 2 350.466 2.874 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000804809402 1003851505 /nfs/dbraw/zinc/85/15/05/1003851505.db2.gz ALBYQYUGZUGULT-MOPGFXCFSA-N 1 2 350.466 2.874 20 30 FFEDLO CCCCC[C@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001196700790 1003917956 /nfs/dbraw/zinc/91/79/56/1003917956.db2.gz JSXUHJGMVYVJTG-BMGDILEWSA-N 1 2 363.527 2.888 20 30 FFEDLO CCCCC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001196700790 1003917961 /nfs/dbraw/zinc/91/79/61/1003917961.db2.gz JSXUHJGMVYVJTG-BMGDILEWSA-N 1 2 363.527 2.888 20 30 FFEDLO O=C(CC#Cc1ccccc1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001111441263 1016863117 /nfs/dbraw/zinc/86/31/17/1016863117.db2.gz FHJOQZFXMWCMCS-NJYVYQBISA-N 1 2 363.436 2.884 20 30 FFEDLO O=C(CC#Cc1ccccc1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001111441263 1016863127 /nfs/dbraw/zinc/86/31/27/1016863127.db2.gz FHJOQZFXMWCMCS-NJYVYQBISA-N 1 2 363.436 2.884 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@@H+](C)CC(=O)NCC)cc1OC ZINC000678192507 1016867441 /nfs/dbraw/zinc/86/74/41/1016867441.db2.gz LQSGMBXTPUOCHR-UHFFFAOYSA-N 1 2 371.275 2.590 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@H+](C)CC(=O)NCC)cc1OC ZINC000678192507 1016867454 /nfs/dbraw/zinc/86/74/54/1016867454.db2.gz LQSGMBXTPUOCHR-UHFFFAOYSA-N 1 2 371.275 2.590 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(CC)cc1 ZINC001110494297 1004332961 /nfs/dbraw/zinc/33/29/61/1004332961.db2.gz LDGXIIYOOQCWMC-AQNXPRMDSA-N 1 2 367.493 2.713 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(CC)cc1 ZINC001110494297 1004332964 /nfs/dbraw/zinc/33/29/64/1004332964.db2.gz LDGXIIYOOQCWMC-AQNXPRMDSA-N 1 2 367.493 2.713 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2Cl)C[C@H]1O ZINC001193337459 1004454889 /nfs/dbraw/zinc/45/48/89/1004454889.db2.gz QEWXZQQIQFPSJY-HUUCEWRRSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2Cl)C[C@H]1O ZINC001193337459 1004454896 /nfs/dbraw/zinc/45/48/96/1004454896.db2.gz QEWXZQQIQFPSJY-HUUCEWRRSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1O)c1ccccc1 ZINC001198917159 1004778551 /nfs/dbraw/zinc/77/85/51/1004778551.db2.gz GNCCJRNTNGJMQN-ZLGUVYLKSA-N 1 2 368.452 2.847 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1O)c1ccccc1 ZINC001198917159 1004778557 /nfs/dbraw/zinc/77/85/57/1004778557.db2.gz GNCCJRNTNGJMQN-ZLGUVYLKSA-N 1 2 368.452 2.847 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC2)c(F)c1 ZINC000101558276 1004863306 /nfs/dbraw/zinc/86/33/06/1004863306.db2.gz HOVSPTQCYPYZKX-LJQANCHMSA-N 1 2 361.367 2.831 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001195254711 1004924299 /nfs/dbraw/zinc/92/42/99/1004924299.db2.gz FKSOVVRMJRDOBU-HZPDHXFCSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001195254711 1004924305 /nfs/dbraw/zinc/92/43/05/1004924305.db2.gz FKSOVVRMJRDOBU-HZPDHXFCSA-N 1 2 370.415 2.969 20 30 FFEDLO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C#N)cc3O)cc2)CC1 ZINC001195751340 1005039719 /nfs/dbraw/zinc/03/97/19/1005039719.db2.gz SLEIWJSCYGQBGP-UHFFFAOYSA-N 1 2 364.449 2.654 20 30 FFEDLO CCOC(=O)c1cc(C#N)c(C)nc1N1CC[NH+](CCC(F)(F)F)CC1 ZINC001202345513 1005337593 /nfs/dbraw/zinc/33/75/93/1005337593.db2.gz DQPJHDFYOJIAOW-UHFFFAOYSA-N 1 2 370.375 2.513 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]ccc1OC ZINC001489697374 1005548372 /nfs/dbraw/zinc/54/83/72/1005548372.db2.gz ISEYEJZFVRXAQU-IAGOWNOFSA-N 1 2 359.470 2.533 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(OC)cc1 ZINC001110608418 1005561798 /nfs/dbraw/zinc/56/17/98/1005561798.db2.gz MJIUWPWMFRPHBF-QRQLOZEOSA-N 1 2 371.481 2.712 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(OC)cc1 ZINC001110608418 1005561800 /nfs/dbraw/zinc/56/18/00/1005561800.db2.gz MJIUWPWMFRPHBF-QRQLOZEOSA-N 1 2 371.481 2.712 20 30 FFEDLO CC(C)C#CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001489954024 1005600760 /nfs/dbraw/zinc/60/07/60/1005600760.db2.gz NLXSMLTUKPQLPR-WBVHZDCISA-N 1 2 366.465 2.579 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@@H]1C ZINC001490117059 1005651376 /nfs/dbraw/zinc/65/13/76/1005651376.db2.gz FYLHXJJTERUWCE-KFWWJZLASA-N 1 2 358.486 2.538 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCCC1 ZINC001110610436 1005670619 /nfs/dbraw/zinc/67/06/19/1005670619.db2.gz CUCUTDJXDVCTLU-QRVBRYPASA-N 1 2 361.530 2.903 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCCC1 ZINC001110610436 1005670620 /nfs/dbraw/zinc/67/06/20/1005670620.db2.gz CUCUTDJXDVCTLU-QRVBRYPASA-N 1 2 361.530 2.903 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001490763601 1005768718 /nfs/dbraw/zinc/76/87/18/1005768718.db2.gz MKELDVBAWSTYNA-QRVBRYPASA-N 1 2 364.449 2.700 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)c1F ZINC001110391258 1005959085 /nfs/dbraw/zinc/95/90/85/1005959085.db2.gz DHJMMRQAHNABKZ-BMFZPTHFSA-N 1 2 352.837 2.903 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)c1F ZINC001110391258 1005959087 /nfs/dbraw/zinc/95/90/87/1005959087.db2.gz DHJMMRQAHNABKZ-BMFZPTHFSA-N 1 2 352.837 2.903 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)c(F)c1 ZINC001110391313 1005959507 /nfs/dbraw/zinc/95/95/07/1005959507.db2.gz GTKCQIMIBRETCJ-XYPHTWIQSA-N 1 2 352.837 2.903 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)c(F)c1 ZINC001110391313 1005959509 /nfs/dbraw/zinc/95/95/09/1005959509.db2.gz GTKCQIMIBRETCJ-XYPHTWIQSA-N 1 2 352.837 2.903 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001187225368 1005965270 /nfs/dbraw/zinc/96/52/70/1005965270.db2.gz DOWMPCFYRQIODZ-YESZJQIVSA-N 1 2 361.486 2.812 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001187225368 1005965274 /nfs/dbraw/zinc/96/52/74/1005965274.db2.gz DOWMPCFYRQIODZ-YESZJQIVSA-N 1 2 361.486 2.812 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000776595797 1006038733 /nfs/dbraw/zinc/03/87/33/1006038733.db2.gz ASEMAHZGLSKWGT-RBUKOAKNSA-N 1 2 353.378 2.573 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000776595797 1006038743 /nfs/dbraw/zinc/03/87/43/1006038743.db2.gz ASEMAHZGLSKWGT-RBUKOAKNSA-N 1 2 353.378 2.573 20 30 FFEDLO C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cnc(Cl)s3)C[C@H]21 ZINC001187480249 1006109438 /nfs/dbraw/zinc/10/94/38/1006109438.db2.gz VCULINWAPJCDEC-DZGCQCFKSA-N 1 2 369.918 2.812 20 30 FFEDLO C=CCOCCCC(=O)N1CC[C@H]2C[N@H+](Cc3cnc(Cl)s3)C[C@H]21 ZINC001187480249 1006109443 /nfs/dbraw/zinc/10/94/43/1006109443.db2.gz VCULINWAPJCDEC-DZGCQCFKSA-N 1 2 369.918 2.812 20 30 FFEDLO C#CCC[N@@H+](CCOC)CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000852748700 1006166523 /nfs/dbraw/zinc/16/65/23/1006166523.db2.gz FSOXTINKQLWYEK-UHFFFAOYSA-N 1 2 357.429 2.783 20 30 FFEDLO C#CCC[N@H+](CCOC)CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000852748700 1006166530 /nfs/dbraw/zinc/16/65/30/1006166530.db2.gz FSOXTINKQLWYEK-UHFFFAOYSA-N 1 2 357.429 2.783 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H]3CCN(C(=O)C[C@@H](C)CC)[C@@H]3C2)c1 ZINC001187699257 1006206156 /nfs/dbraw/zinc/20/61/56/1006206156.db2.gz VURXTKBJTUAFML-XKGZKEIXSA-N 1 2 367.493 2.575 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)C[C@@H](C)CC)[C@@H]3C2)c1 ZINC001187699257 1006206163 /nfs/dbraw/zinc/20/61/63/1006206163.db2.gz VURXTKBJTUAFML-XKGZKEIXSA-N 1 2 367.493 2.575 20 30 FFEDLO O=C(C#CC1CC[NH2+]CC1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000852890126 1006224126 /nfs/dbraw/zinc/22/41/26/1006224126.db2.gz RJDUONWTPUGCHO-GOSISDBHSA-N 1 2 369.513 2.561 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001187865500 1006282493 /nfs/dbraw/zinc/28/24/93/1006282493.db2.gz QVWYUVSGOPTXHH-QWQRMKEZSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001187865500 1006282504 /nfs/dbraw/zinc/28/25/04/1006282504.db2.gz QVWYUVSGOPTXHH-QWQRMKEZSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000853290139 1006361525 /nfs/dbraw/zinc/36/15/25/1006361525.db2.gz VEMSKTCVJGAYHX-UHFFFAOYSA-N 1 2 374.462 2.768 20 30 FFEDLO Cc1cc(C(N)=[NH+]OC[C@@H]2CCN(C(=O)c3ccccc3)C2)ccc1F ZINC000853657178 1006496227 /nfs/dbraw/zinc/49/62/27/1006496227.db2.gz OVIYLJWLXATTSD-OAHLLOKOSA-N 1 2 355.413 2.933 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)C3(CCF)CC3)[C@@H]2C1 ZINC001188652745 1006651213 /nfs/dbraw/zinc/65/12/13/1006651213.db2.gz QTHUUEHIKISYKX-MAUKXSAKSA-N 1 2 359.420 2.870 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)C3(CCF)CC3)[C@@H]2C1 ZINC001188652745 1006651218 /nfs/dbraw/zinc/65/12/18/1006651218.db2.gz QTHUUEHIKISYKX-MAUKXSAKSA-N 1 2 359.420 2.870 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000825550166 1006697539 /nfs/dbraw/zinc/69/75/39/1006697539.db2.gz ZCZMYWXEPFZYBV-GOSISDBHSA-N 1 2 371.481 2.967 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000825550166 1006697542 /nfs/dbraw/zinc/69/75/42/1006697542.db2.gz ZCZMYWXEPFZYBV-GOSISDBHSA-N 1 2 371.481 2.967 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110682569 1006780452 /nfs/dbraw/zinc/78/04/52/1006780452.db2.gz WWRUSJSFTQYILW-SCTDSRPQSA-N 1 2 358.486 2.853 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3nnc(C)n3C3CC3)C[C@H]21 ZINC001188908444 1006797630 /nfs/dbraw/zinc/79/76/30/1006797630.db2.gz DFLGDYGIDSAICV-SOLBZPMBSA-N 1 2 357.502 2.556 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(C)n3C3CC3)C[C@H]21 ZINC001188908444 1006797644 /nfs/dbraw/zinc/79/76/44/1006797644.db2.gz DFLGDYGIDSAICV-SOLBZPMBSA-N 1 2 357.502 2.556 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110683510 1006804367 /nfs/dbraw/zinc/80/43/67/1006804367.db2.gz FGZBHKZPJYYQMH-KURKYZTESA-N 1 2 358.486 2.853 20 30 FFEDLO C=C(C)C[C@H](CO)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000883545026 1006852252 /nfs/dbraw/zinc/85/22/52/1006852252.db2.gz HJFUDTUHOVNXES-IEBWSBKVSA-N 1 2 356.470 2.868 20 30 FFEDLO CCC[C@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000132301971 1006901650 /nfs/dbraw/zinc/90/16/50/1006901650.db2.gz QMERZGWXONKUHF-JKSUJKDBSA-N 1 2 350.422 2.725 20 30 FFEDLO CCC[C@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000132301971 1006901667 /nfs/dbraw/zinc/90/16/67/1006901667.db2.gz QMERZGWXONKUHF-JKSUJKDBSA-N 1 2 350.422 2.725 20 30 FFEDLO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCn1cc[nH+]c1 ZINC001135580907 1007059182 /nfs/dbraw/zinc/05/91/82/1007059182.db2.gz IWCPZBWAMBLBHX-OAHLLOKOSA-N 1 2 350.463 2.639 20 30 FFEDLO N#Cc1ccccc1/C=C\C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000855325918 1007276321 /nfs/dbraw/zinc/27/63/21/1007276321.db2.gz PJTFVDQPQAIETM-WTKPUWKFSA-N 1 2 373.456 2.683 20 30 FFEDLO N#Cc1ccccc1/C=C\C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000855325918 1007276331 /nfs/dbraw/zinc/27/63/31/1007276331.db2.gz PJTFVDQPQAIETM-WTKPUWKFSA-N 1 2 373.456 2.683 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2nc(-c3ccc(F)c(F)c3)no2)cc1 ZINC000134039605 1007329429 /nfs/dbraw/zinc/32/94/29/1007329429.db2.gz CQKOJPCDYHESPP-UHFFFAOYSA-N 1 2 360.320 2.861 20 30 FFEDLO C=C[C@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(C)no3)C[C@H]21)c1ccccc1 ZINC001190281461 1007568780 /nfs/dbraw/zinc/56/87/80/1007568780.db2.gz IPQNHQZOFTUALV-NZSAHSFTSA-N 1 2 366.465 2.771 20 30 FFEDLO C=C[C@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3nc(C)no3)C[C@H]21)c1ccccc1 ZINC001190281461 1007568789 /nfs/dbraw/zinc/56/87/89/1007568789.db2.gz IPQNHQZOFTUALV-NZSAHSFTSA-N 1 2 366.465 2.771 20 30 FFEDLO C#C[C@@H](NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)C1CCOCC1 ZINC000856103518 1007688874 /nfs/dbraw/zinc/68/88/74/1007688874.db2.gz MRFXBMFUGXRMID-LJQANCHMSA-N 1 2 364.449 2.555 20 30 FFEDLO CC(C)(C)OC(=O)NCC[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C(F)F ZINC000819342626 1008102257 /nfs/dbraw/zinc/10/22/57/1008102257.db2.gz AACZEEBUNDGHCN-LSDHHAIUSA-N 1 2 369.412 2.730 20 30 FFEDLO CN(C(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)c1cccc(C#N)c1 ZINC001136387117 1008379257 /nfs/dbraw/zinc/37/92/57/1008379257.db2.gz XPVNEUICSXERFF-UHFFFAOYSA-N 1 2 372.469 2.510 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)NC(=O)C1CCCC1)C2 ZINC001110203794 1008565216 /nfs/dbraw/zinc/56/52/16/1008565216.db2.gz PDLFMOKPWPVNDW-SIXLDLHFSA-N 1 2 367.921 2.545 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)NC(=O)C1CCCC1)C2 ZINC001110203794 1008565228 /nfs/dbraw/zinc/56/52/28/1008565228.db2.gz PDLFMOKPWPVNDW-SIXLDLHFSA-N 1 2 367.921 2.545 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)CCC1 ZINC000886121283 1008571811 /nfs/dbraw/zinc/57/18/11/1008571811.db2.gz ZZUDSVLPLTYGQB-QGZVFWFLSA-N 1 2 354.429 2.814 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)CCC1 ZINC000886121283 1008571822 /nfs/dbraw/zinc/57/18/22/1008571822.db2.gz ZZUDSVLPLTYGQB-QGZVFWFLSA-N 1 2 354.429 2.814 20 30 FFEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000886768614 1008870716 /nfs/dbraw/zinc/87/07/16/1008870716.db2.gz DMNDBOJLZGXKRX-UHFFFAOYSA-N 1 2 368.481 2.831 20 30 FFEDLO C=CCC1(O)CC[NH+](CC(=O)N[C@H](c2nccs2)c2ccccc2)CC1 ZINC000886774255 1008874418 /nfs/dbraw/zinc/87/44/18/1008874418.db2.gz KNWKVZSHWHBEFB-SFHVURJKSA-N 1 2 371.506 2.752 20 30 FFEDLO Cc1nc(C(F)(F)F)c(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)s1 ZINC001206659764 1032376850 /nfs/dbraw/zinc/37/68/50/1032376850.db2.gz QJRIOJVGFMCUPV-FXPVBKGRSA-N 1 2 360.405 2.567 20 30 FFEDLO Cc1nc(C(F)(F)F)c(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)s1 ZINC001206659764 1032376855 /nfs/dbraw/zinc/37/68/55/1032376855.db2.gz QJRIOJVGFMCUPV-FXPVBKGRSA-N 1 2 360.405 2.567 20 30 FFEDLO O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000887777768 1009585433 /nfs/dbraw/zinc/58/54/33/1009585433.db2.gz HBPDBCARWKWFGI-LJQANCHMSA-N 1 2 372.440 2.654 20 30 FFEDLO O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000887777768 1009585441 /nfs/dbraw/zinc/58/54/41/1009585441.db2.gz HBPDBCARWKWFGI-LJQANCHMSA-N 1 2 372.440 2.654 20 30 FFEDLO N#Cc1ccc(C2(C(=O)N3CCC[C@@H]([NH+]4CCOCC4)C3)CCCC2)cc1 ZINC000861862020 1009593231 /nfs/dbraw/zinc/59/32/31/1009593231.db2.gz YBIHMSGQOJLSAS-HXUWFJFHSA-N 1 2 367.493 2.693 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc(C(C)C)no2)C[C@H]1C ZINC001206782189 1032422027 /nfs/dbraw/zinc/42/20/27/1032422027.db2.gz JLYHWUJGDHYOER-BZUAXINKSA-N 1 2 364.490 2.673 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc(C(C)C)no2)C[C@H]1C ZINC001206782189 1032422029 /nfs/dbraw/zinc/42/20/29/1032422029.db2.gz JLYHWUJGDHYOER-BZUAXINKSA-N 1 2 364.490 2.673 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(-c3nnc[nH]3)cc2)[C@H](C)C1 ZINC001093104001 1009842696 /nfs/dbraw/zinc/84/26/96/1009842696.db2.gz LHLIBMWRGZJLSI-MLGOLLRUSA-N 1 2 359.861 2.522 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2ccc(-c3nnc[nH]3)cc2)[C@H](C)C1 ZINC001093104001 1009842711 /nfs/dbraw/zinc/84/27/11/1009842711.db2.gz LHLIBMWRGZJLSI-MLGOLLRUSA-N 1 2 359.861 2.522 20 30 FFEDLO C=C(C)C(=O)NCCCNC(=O)[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC001182223837 1010449906 /nfs/dbraw/zinc/44/99/06/1010449906.db2.gz LXFGJZFYLUTOAD-KRWDZBQOSA-N 1 2 365.905 2.922 20 30 FFEDLO C=C(C)C(=O)OCCNC(=O)[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC001182225172 1010450281 /nfs/dbraw/zinc/45/02/81/1010450281.db2.gz VDRHANFERAGBDC-INIZCTEOSA-N 1 2 352.862 2.958 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccccc1)CN1C(=O)C(=O)N(C2CCCC2)C1=O ZINC000794650838 1010456725 /nfs/dbraw/zinc/45/67/25/1010456725.db2.gz NNSIIKDAALAFKB-UHFFFAOYSA-N 1 2 355.438 2.756 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccccc1)CN1C(=O)C(=O)N(C2CCCC2)C1=O ZINC000794650838 1010456729 /nfs/dbraw/zinc/45/67/29/1010456729.db2.gz NNSIIKDAALAFKB-UHFFFAOYSA-N 1 2 355.438 2.756 20 30 FFEDLO CN(C)C(=O)COc1cccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)c1 ZINC000794697393 1010516680 /nfs/dbraw/zinc/51/66/80/1010516680.db2.gz DVZLBYUZDGWRFK-HJWRWDBZSA-N 1 2 373.478 2.568 20 30 FFEDLO C[C@H](CNC(=O)c1sccc1CC#N)[NH+]1CCN(c2ccccc2)CC1 ZINC000864873107 1010609878 /nfs/dbraw/zinc/60/98/78/1010609878.db2.gz ULMODDSTCBDEDU-MRXNPFEDSA-N 1 2 368.506 2.755 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)C[C@H]1C ZINC001206911268 1032492700 /nfs/dbraw/zinc/49/27/00/1032492700.db2.gz IQVFUBSTHSQJPC-OXQOHEQNSA-N 1 2 368.456 2.751 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C[C@H]1C ZINC001206911268 1032492708 /nfs/dbraw/zinc/49/27/08/1032492708.db2.gz IQVFUBSTHSQJPC-OXQOHEQNSA-N 1 2 368.456 2.751 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001206912602 1032493908 /nfs/dbraw/zinc/49/39/08/1032493908.db2.gz UKTJZTVSLBTJIO-ZHALLVOQSA-N 1 2 365.481 2.568 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001206912602 1032493914 /nfs/dbraw/zinc/49/39/14/1032493914.db2.gz UKTJZTVSLBTJIO-ZHALLVOQSA-N 1 2 365.481 2.568 20 30 FFEDLO C#C[C@@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000825567413 1010791402 /nfs/dbraw/zinc/79/14/02/1010791402.db2.gz YMZVGHJYXDYZSJ-LEWJYISDSA-N 1 2 363.461 2.561 20 30 FFEDLO C#C[C@@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000825567413 1010791410 /nfs/dbraw/zinc/79/14/10/1010791410.db2.gz YMZVGHJYXDYZSJ-LEWJYISDSA-N 1 2 363.461 2.561 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)on2)C[C@H]1C ZINC001206939463 1032513897 /nfs/dbraw/zinc/51/38/97/1032513897.db2.gz GCXWVQRMNGHKOF-VQIMIIECSA-N 1 2 351.450 2.938 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)on2)C[C@H]1C ZINC001206939463 1032513901 /nfs/dbraw/zinc/51/39/01/1032513901.db2.gz GCXWVQRMNGHKOF-VQIMIIECSA-N 1 2 351.450 2.938 20 30 FFEDLO Cc1ccc([C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2O)N2CCOCC2)o1 ZINC000866220518 1010954308 /nfs/dbraw/zinc/95/43/08/1010954308.db2.gz GSGTVIKFBJSOJW-YJBOKZPZSA-N 1 2 355.438 2.889 20 30 FFEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000866240354 1010959991 /nfs/dbraw/zinc/95/99/91/1010959991.db2.gz CIGSDIGPUGGSIA-ZIAGYGMSSA-N 1 2 373.478 2.926 20 30 FFEDLO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866270030 1010966710 /nfs/dbraw/zinc/96/67/10/1010966710.db2.gz RDKPPWNVDKYRIB-SJORKVTESA-N 1 2 365.481 2.520 20 30 FFEDLO Cc1nn(C)c2ncc(C[NH+]3CCN(c4ccc(F)cc4C#N)CC3)cc12 ZINC000866589858 1011020035 /nfs/dbraw/zinc/02/00/35/1011020035.db2.gz MHRIBBDEVYGWMP-UHFFFAOYSA-N 1 2 364.428 2.610 20 30 FFEDLO Cc1cccn2cc(CCNC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)[nH+]c12 ZINC000868330333 1011250979 /nfs/dbraw/zinc/25/09/79/1011250979.db2.gz FBDXOWXNSAGHQA-IBGZPJMESA-N 1 2 359.433 2.524 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3cccc(C)c3o1)C2 ZINC001110162709 1011333439 /nfs/dbraw/zinc/33/34/39/1011333439.db2.gz JADVSUVLWYONSR-SQNIBIBYSA-N 1 2 352.434 2.726 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3cccc(C)c3o1)C2 ZINC001110162709 1011333453 /nfs/dbraw/zinc/33/34/53/1011333453.db2.gz JADVSUVLWYONSR-SQNIBIBYSA-N 1 2 352.434 2.726 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC2CC(F)(F)C2)cc1C#N ZINC001274511454 1011485520 /nfs/dbraw/zinc/48/55/20/1011485520.db2.gz YQUTUQZHPDXTPW-IYBDPMFKSA-N 1 2 362.424 2.507 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC2CC(F)(F)C2)cc1C#N ZINC001274511454 1011485527 /nfs/dbraw/zinc/48/55/27/1011485527.db2.gz YQUTUQZHPDXTPW-IYBDPMFKSA-N 1 2 362.424 2.507 20 30 FFEDLO O=C(c1ccccc1)N1CCC[C@@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001171887209 1011521170 /nfs/dbraw/zinc/52/11/70/1011521170.db2.gz GTGSBNGAFDRZCU-QZTJIDSGSA-N 1 2 356.491 2.955 20 30 FFEDLO O=C(c1ccccc1)N1CCC[C@@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001171887209 1011521186 /nfs/dbraw/zinc/52/11/86/1011521186.db2.gz GTGSBNGAFDRZCU-QZTJIDSGSA-N 1 2 356.491 2.955 20 30 FFEDLO C=C(C)CN1CC2(C[NH+](CCc3ccc(C(F)(F)F)cc3)C2)OCC1=O ZINC001276331101 1011752428 /nfs/dbraw/zinc/75/24/28/1011752428.db2.gz WNPFUAZIBWWZPQ-UHFFFAOYSA-N 1 2 368.399 2.737 20 30 FFEDLO CCCCCCC[C@@H](CC)n1c[nH+]cc1C[C@H](NC(=O)CC[NH3+])C(=O)[O-] ZINC001172349517 1011777952 /nfs/dbraw/zinc/77/79/52/1011777952.db2.gz DSDSOAYGRYJLRD-WBVHZDCISA-N 1 2 366.506 2.655 20 30 FFEDLO N#Cc1cccc(CN2C[C@@]3(CC2=O)CCCC[N@@H+]3Cc2cocn2)c1 ZINC001275022243 1011831023 /nfs/dbraw/zinc/83/10/23/1011831023.db2.gz PETBVWYURKAWSN-FQEVSTJZSA-N 1 2 350.422 2.703 20 30 FFEDLO N#Cc1cccc(CN2C[C@@]3(CC2=O)CCCC[N@H+]3Cc2cocn2)c1 ZINC001275022243 1011831041 /nfs/dbraw/zinc/83/10/41/1011831041.db2.gz PETBVWYURKAWSN-FQEVSTJZSA-N 1 2 350.422 2.703 20 30 FFEDLO CCCCCCC[N@@H+]1C[C@]2(F)CN(C[C@H]3COC(C)(C)O3)C(=O)[C@]2(F)C1 ZINC001275110569 1011949269 /nfs/dbraw/zinc/94/92/69/1011949269.db2.gz BJIBKMVFZJRPGX-ZYSHUDEJSA-N 1 2 374.472 2.683 20 30 FFEDLO CCCCCCC[N@H+]1C[C@]2(F)CN(C[C@H]3COC(C)(C)O3)C(=O)[C@]2(F)C1 ZINC001275110569 1011949279 /nfs/dbraw/zinc/94/92/79/1011949279.db2.gz BJIBKMVFZJRPGX-ZYSHUDEJSA-N 1 2 374.472 2.683 20 30 FFEDLO CCCCCCC[N@@H+]1C[C@]2(F)CN(CCCCCC(N)=O)C(=O)[C@]2(F)C1 ZINC001275115005 1011957341 /nfs/dbraw/zinc/95/73/41/1011957341.db2.gz RAVNXQSDNKYLOK-RBUKOAKNSA-N 1 2 373.488 2.577 20 30 FFEDLO CCCCCCC[N@H+]1C[C@]2(F)CN(CCCCCC(N)=O)C(=O)[C@]2(F)C1 ZINC001275115005 1011957348 /nfs/dbraw/zinc/95/73/48/1011957348.db2.gz RAVNXQSDNKYLOK-RBUKOAKNSA-N 1 2 373.488 2.577 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cccc(O)c2Br)C1=O ZINC001275208266 1012077954 /nfs/dbraw/zinc/07/79/54/1012077954.db2.gz FTTYVOJTLDRLKI-QGZVFWFLSA-N 1 2 365.271 2.908 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cccc(O)c2Br)C1=O ZINC001275208266 1012077964 /nfs/dbraw/zinc/07/79/64/1012077964.db2.gz FTTYVOJTLDRLKI-QGZVFWFLSA-N 1 2 365.271 2.908 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)C[C@H]1C#N ZINC001172989520 1012156002 /nfs/dbraw/zinc/15/60/02/1012156002.db2.gz PGUCHEZSTHBTDO-QLFBSQMISA-N 1 2 363.483 2.552 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)C[C@H]1C#N ZINC001172989520 1012156016 /nfs/dbraw/zinc/15/60/16/1012156016.db2.gz PGUCHEZSTHBTDO-QLFBSQMISA-N 1 2 363.483 2.552 20 30 FFEDLO COc1cccc([C@H]2CN(C(=O)[C@@H](C)Oc3ccc(C#N)cc3)CC[NH2+]2)c1 ZINC000870146989 1012202103 /nfs/dbraw/zinc/20/21/03/1012202103.db2.gz IECFGUSINXGIBO-FOIQADDNSA-N 1 2 365.433 2.507 20 30 FFEDLO C=C(CCC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2COCCOC)c1ccccc1 ZINC001275351793 1012352656 /nfs/dbraw/zinc/35/26/56/1012352656.db2.gz WTWAZWVFERYSKT-PMACEKPBSA-N 1 2 358.482 2.776 20 30 FFEDLO C=C(CCC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2COCCOC)c1ccccc1 ZINC001275351793 1012352668 /nfs/dbraw/zinc/35/26/68/1012352668.db2.gz WTWAZWVFERYSKT-PMACEKPBSA-N 1 2 358.482 2.776 20 30 FFEDLO CON=Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1 ZINC000870988347 1012668737 /nfs/dbraw/zinc/66/87/37/1012668737.db2.gz NGAHBIANZGSMDN-UHFFFAOYSA-N 1 2 370.478 2.545 20 30 FFEDLO Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)n1 ZINC001095186068 1012670368 /nfs/dbraw/zinc/67/03/68/1012670368.db2.gz JRLCVZRTVPWNIC-BVGQSLNGSA-N 1 2 352.463 2.859 20 30 FFEDLO Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)n1 ZINC001095186068 1012670376 /nfs/dbraw/zinc/67/03/76/1012670376.db2.gz JRLCVZRTVPWNIC-BVGQSLNGSA-N 1 2 352.463 2.859 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccnc(F)c2)C3)cc1F ZINC001095226825 1012751727 /nfs/dbraw/zinc/75/17/27/1012751727.db2.gz ATMOELIGBJHYJW-NJAFHUGGSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccnc(F)c2)C3)cc1F ZINC001095226825 1012751735 /nfs/dbraw/zinc/75/17/35/1012751735.db2.gz ATMOELIGBJHYJW-NJAFHUGGSA-N 1 2 368.387 2.767 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1c(F)cccc1F)C2 ZINC001275662782 1012788012 /nfs/dbraw/zinc/78/80/12/1012788012.db2.gz SYMGTSNWTBMZHO-LJQANCHMSA-N 1 2 350.409 2.592 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c(F)cccc1F)C2 ZINC001275662782 1012788024 /nfs/dbraw/zinc/78/80/24/1012788024.db2.gz SYMGTSNWTBMZHO-LJQANCHMSA-N 1 2 350.409 2.592 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](CCCc3cccc(OC)c3)C[C@@]2(F)C1=O ZINC001275760269 1012967120 /nfs/dbraw/zinc/96/71/20/1012967120.db2.gz AJDVHKXHJVESBL-VQTJNVASSA-N 1 2 364.436 2.778 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](CCCc3cccc(OC)c3)C[C@@]2(F)C1=O ZINC001275760269 1012967132 /nfs/dbraw/zinc/96/71/32/1012967132.db2.gz AJDVHKXHJVESBL-VQTJNVASSA-N 1 2 364.436 2.778 20 30 FFEDLO CCC[C@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110887628 1017202787 /nfs/dbraw/zinc/20/27/87/1017202787.db2.gz RBHPLJVPTRIABO-YSHGAJCASA-N 1 2 359.445 2.734 20 30 FFEDLO CCC[C@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110887628 1017202797 /nfs/dbraw/zinc/20/27/97/1017202797.db2.gz RBHPLJVPTRIABO-YSHGAJCASA-N 1 2 359.445 2.734 20 30 FFEDLO CCc1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001097408324 1017442192 /nfs/dbraw/zinc/44/21/92/1017442192.db2.gz BFJIDXPSFRLEHS-ZMYBRWDISA-N 1 2 367.428 2.518 20 30 FFEDLO CCc1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001097408324 1017442199 /nfs/dbraw/zinc/44/21/99/1017442199.db2.gz BFJIDXPSFRLEHS-ZMYBRWDISA-N 1 2 367.428 2.518 20 30 FFEDLO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c3ccccc3c1=O)C2 ZINC001097414564 1017449064 /nfs/dbraw/zinc/44/90/64/1017449064.db2.gz CMFICNVXNOUMCT-ZMYBRWDISA-N 1 2 351.450 2.829 20 30 FFEDLO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c3ccccc3c1=O)C2 ZINC001097414564 1017449070 /nfs/dbraw/zinc/44/90/70/1017449070.db2.gz CMFICNVXNOUMCT-ZMYBRWDISA-N 1 2 351.450 2.829 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(OC)c(F)c1)C2 ZINC001097470335 1017513088 /nfs/dbraw/zinc/51/30/88/1017513088.db2.gz SXYNPDIBCHIMQV-BMFZPTHFSA-N 1 2 352.837 2.851 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(OC)c(F)c1)C2 ZINC001097470335 1017513096 /nfs/dbraw/zinc/51/30/96/1017513096.db2.gz SXYNPDIBCHIMQV-BMFZPTHFSA-N 1 2 352.837 2.851 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001055462199 1017551831 /nfs/dbraw/zinc/55/18/31/1017551831.db2.gz WNVIUNNMRXEFFF-GJNTUIEKSA-N 1 2 370.497 2.555 20 30 FFEDLO NC(=NOCc1ccc(CF)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000777539585 1017568933 /nfs/dbraw/zinc/56/89/33/1017568933.db2.gz HWFGNEGSJMBHDD-UHFFFAOYSA-N 1 2 357.429 2.825 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnnn1-c1ccccc1 ZINC001110898556 1017593306 /nfs/dbraw/zinc/59/33/06/1017593306.db2.gz JWACYYIICLBKSI-QRQLOZEOSA-N 1 2 365.481 2.701 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnnn1-c1ccccc1 ZINC001110898556 1017593314 /nfs/dbraw/zinc/59/33/14/1017593314.db2.gz JWACYYIICLBKSI-QRQLOZEOSA-N 1 2 365.481 2.701 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)Nc1ccccc1 ZINC001110899870 1017648194 /nfs/dbraw/zinc/64/81/94/1017648194.db2.gz URUYRZFMWRANIA-DDBAPUKQSA-N 1 2 355.482 2.947 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)Nc1ccccc1 ZINC001110899870 1017648198 /nfs/dbraw/zinc/64/81/98/1017648198.db2.gz URUYRZFMWRANIA-DDBAPUKQSA-N 1 2 355.482 2.947 20 30 FFEDLO CN(C(=O)CO[NH+]=C(N)c1ccc(COc2ccccc2F)cc1)C1CC1 ZINC000748797383 1017658564 /nfs/dbraw/zinc/65/85/64/1017658564.db2.gz UOGRXCUVFGUUIY-UHFFFAOYSA-N 1 2 371.412 2.662 20 30 FFEDLO C=CCOCCNC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000679874635 1017667408 /nfs/dbraw/zinc/66/74/08/1017667408.db2.gz XTPVDGXLDVUCBS-NVXWUHKLSA-N 1 2 371.403 2.741 20 30 FFEDLO C=CCOCCNC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000679874635 1017667412 /nfs/dbraw/zinc/66/74/12/1017667412.db2.gz XTPVDGXLDVUCBS-NVXWUHKLSA-N 1 2 371.403 2.741 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)c1cnco1 ZINC001097602221 1017691885 /nfs/dbraw/zinc/69/18/85/1017691885.db2.gz AGTZSKFTXVEPJH-ZACQAIPSSA-N 1 2 355.825 2.715 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)c1cnco1 ZINC001097602221 1017691893 /nfs/dbraw/zinc/69/18/93/1017691893.db2.gz AGTZSKFTXVEPJH-ZACQAIPSSA-N 1 2 355.825 2.715 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ncc(C)s2)cc1 ZINC001097626610 1017724188 /nfs/dbraw/zinc/72/41/88/1017724188.db2.gz OCMWFQYMABWWCE-KURKYZTESA-N 1 2 351.475 2.968 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ncc(C)s2)cc1 ZINC001097626610 1017724200 /nfs/dbraw/zinc/72/42/00/1017724200.db2.gz OCMWFQYMABWWCE-KURKYZTESA-N 1 2 351.475 2.968 20 30 FFEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000925584889 1017795459 /nfs/dbraw/zinc/79/54/59/1017795459.db2.gz NDJOAEFPFYBRDD-IBGZPJMESA-N 1 2 358.486 2.589 20 30 FFEDLO C=CCC[C@H](C(=O)N1CCC(N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000827445766 1018067014 /nfs/dbraw/zinc/06/70/14/1018067014.db2.gz YQGIRAUEQZUBBV-NRFANRHFSA-N 1 2 355.526 2.975 20 30 FFEDLO C/C=C(/C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cccc(F)c2C#N)C1 ZINC001052731505 1018068895 /nfs/dbraw/zinc/06/88/95/1018068895.db2.gz CIHKDVVLHRYIKU-QSQATXGPSA-N 1 2 367.428 2.804 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)sc1C ZINC001097880660 1018161179 /nfs/dbraw/zinc/16/11/79/1018161179.db2.gz LVTVXIVKIIBSAO-WGMGUUHVSA-N 1 2 361.511 2.573 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)sc1C ZINC001097880660 1018161185 /nfs/dbraw/zinc/16/11/85/1018161185.db2.gz LVTVXIVKIIBSAO-WGMGUUHVSA-N 1 2 361.511 2.573 20 30 FFEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1C[C@H]1Cc1ccccc1)CCO2 ZINC001053353731 1018263560 /nfs/dbraw/zinc/26/35/60/1018263560.db2.gz YNOBSMIVPGASHG-UXHICEINSA-N 1 2 354.494 2.745 20 30 FFEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CCNc1cccc(F)c1C#N ZINC001053405107 1018286227 /nfs/dbraw/zinc/28/62/27/1018286227.db2.gz GBPOBPDVMOBSQR-HUUCEWRRSA-N 1 2 369.444 2.570 20 30 FFEDLO C[NH+](C)Cc1csc(CNC(=O)CCCCOc2cccc(C#N)c2)n1 ZINC000927767786 1018660515 /nfs/dbraw/zinc/66/05/15/1018660515.db2.gz KOKIDCVSHJPCHL-UHFFFAOYSA-N 1 2 372.494 2.942 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(OC)nc1C ZINC001110933600 1018706747 /nfs/dbraw/zinc/70/67/47/1018706747.db2.gz OKGMNLNGYWLTQH-LIRZEXBASA-N 1 2 358.486 2.617 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(OC)nc1C ZINC001110933600 1018706758 /nfs/dbraw/zinc/70/67/58/1018706758.db2.gz OKGMNLNGYWLTQH-LIRZEXBASA-N 1 2 358.486 2.617 20 30 FFEDLO Cc1ccc(C(=O)/C=C/C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1 ZINC000901140832 1018768696 /nfs/dbraw/zinc/76/86/96/1018768696.db2.gz WBUASFJSNIYTPH-CSKARUKUSA-N 1 2 365.433 2.913 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nocc1C ZINC001096138508 1018789443 /nfs/dbraw/zinc/78/94/43/1018789443.db2.gz SPOUMFGBSCFEOK-DZBHQSCQSA-N 1 2 359.470 2.576 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nocc1C ZINC001096138508 1018789456 /nfs/dbraw/zinc/78/94/56/1018789456.db2.gz SPOUMFGBSCFEOK-DZBHQSCQSA-N 1 2 359.470 2.576 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001067799733 1019137377 /nfs/dbraw/zinc/13/73/77/1019137377.db2.gz JPMONRYPCWWJHX-KSZLIROESA-N 1 2 370.497 2.681 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)cn1 ZINC001043266851 1019293182 /nfs/dbraw/zinc/29/31/82/1019293182.db2.gz JBAYEYLBAGNWDX-FZKQIMNGSA-N 1 2 361.449 2.611 20 30 FFEDLO N#Cc1c(F)cccc1N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001047583276 1019414768 /nfs/dbraw/zinc/41/47/68/1019414768.db2.gz LVAZNFANOMAWQP-GBJTYRQASA-N 1 2 367.428 2.921 20 30 FFEDLO N#Cc1c(F)cccc1N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001047583276 1019414774 /nfs/dbraw/zinc/41/47/74/1019414774.db2.gz LVAZNFANOMAWQP-GBJTYRQASA-N 1 2 367.428 2.921 20 30 FFEDLO C#CCCCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001217668799 1032829820 /nfs/dbraw/zinc/82/98/20/1032829820.db2.gz AJBWHFOGQNHZGR-RBUKOAKNSA-N 1 2 360.885 2.945 20 30 FFEDLO C#CCCCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001217668799 1032829831 /nfs/dbraw/zinc/82/98/31/1032829831.db2.gz AJBWHFOGQNHZGR-RBUKOAKNSA-N 1 2 360.885 2.945 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)o1 ZINC001096231445 1019497630 /nfs/dbraw/zinc/49/76/30/1019497630.db2.gz ROULMVASJUMACO-IKGGRYGDSA-N 1 2 351.406 2.695 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)o1 ZINC001096231445 1019497635 /nfs/dbraw/zinc/49/76/35/1019497635.db2.gz ROULMVASJUMACO-IKGGRYGDSA-N 1 2 351.406 2.695 20 30 FFEDLO Cc1cc(N2CCN(C(=O)C3(C#N)CCSCC3)CC2)nc(C(C)C)[nH+]1 ZINC000929554780 1019505869 /nfs/dbraw/zinc/50/58/69/1019505869.db2.gz GBLTXLVFIAEDQX-UHFFFAOYSA-N 1 2 373.526 2.594 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c(C)o1 ZINC001096233277 1019507435 /nfs/dbraw/zinc/50/74/35/1019507435.db2.gz VZOPZQPJPOBLRK-SQNIBIBYSA-N 1 2 350.422 2.698 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c(C)o1 ZINC001096233277 1019507446 /nfs/dbraw/zinc/50/74/46/1019507446.db2.gz VZOPZQPJPOBLRK-SQNIBIBYSA-N 1 2 350.422 2.698 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001044037610 1019640170 /nfs/dbraw/zinc/64/01/70/1019640170.db2.gz LIESERAYUIZVMQ-ICSRJNTNSA-N 1 2 353.466 2.792 20 30 FFEDLO CCc1nocc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001095978878 1019679411 /nfs/dbraw/zinc/67/94/11/1019679411.db2.gz XUCFZQGYOCFEDY-NVGVWMPQSA-N 1 2 356.451 2.705 20 30 FFEDLO CCc1nocc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001095978878 1019679422 /nfs/dbraw/zinc/67/94/22/1019679422.db2.gz XUCFZQGYOCFEDY-NVGVWMPQSA-N 1 2 356.451 2.705 20 30 FFEDLO CCc1onc(C)c1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000929872004 1019705885 /nfs/dbraw/zinc/70/58/85/1019705885.db2.gz RFCNSENATMTFFD-UHFFFAOYSA-N 1 2 367.409 2.987 20 30 FFEDLO CC[C@H](C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001217737322 1032855704 /nfs/dbraw/zinc/85/57/04/1032855704.db2.gz URQNFMYEWTXSKT-ZOCIIQOWSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@H](C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001217737322 1032855717 /nfs/dbraw/zinc/85/57/17/1032855717.db2.gz URQNFMYEWTXSKT-ZOCIIQOWSA-N 1 2 359.445 2.545 20 30 FFEDLO CC(C)[C@H](CC1CCCC1)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070696493 1020072368 /nfs/dbraw/zinc/07/23/68/1020072368.db2.gz VXPSIUHCIIJEQM-IPMKNSEASA-N 1 2 371.529 2.680 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC(=C)C)CC1 ZINC000802577723 1020235551 /nfs/dbraw/zinc/23/55/51/1020235551.db2.gz QOHFALPDNZAGLH-UHFFFAOYSA-N 1 2 374.492 2.768 20 30 FFEDLO Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C#CC(C)(C)C)[C@H]3C2)cc1F ZINC001217852572 1032887391 /nfs/dbraw/zinc/88/73/91/1032887391.db2.gz MHYOTUHXZNSSLA-RBUKOAKNSA-N 1 2 358.457 2.595 20 30 FFEDLO Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)C#CC(C)(C)C)[C@H]3C2)cc1F ZINC001217852572 1032887401 /nfs/dbraw/zinc/88/74/01/1032887401.db2.gz MHYOTUHXZNSSLA-RBUKOAKNSA-N 1 2 358.457 2.595 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)no1 ZINC001096378659 1020285246 /nfs/dbraw/zinc/28/52/46/1020285246.db2.gz PELXKTRGYAYEMZ-LJHODMEESA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)no1 ZINC001096378659 1020285250 /nfs/dbraw/zinc/28/52/50/1020285250.db2.gz PELXKTRGYAYEMZ-LJHODMEESA-N 1 2 368.412 2.783 20 30 FFEDLO Cc1nn(C[NH+]2CCC3(CC2)CC(=O)C=CO3)c2cc([N+](=O)[O-])ccc12 ZINC000902600677 1020330295 /nfs/dbraw/zinc/33/02/95/1020330295.db2.gz ZINCOMRHFZNYKE-UHFFFAOYSA-N 1 2 356.382 2.548 20 30 FFEDLO C#CC1(O)CC[NH+](CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000931144459 1020345445 /nfs/dbraw/zinc/34/54/45/1020345445.db2.gz SLKUYMRDCRJPNC-IBGZPJMESA-N 1 2 372.465 2.553 20 30 FFEDLO CC(C)OCc1noc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)n1 ZINC000931259447 1020393418 /nfs/dbraw/zinc/39/34/18/1020393418.db2.gz YRAPHPNZGDTNET-UHFFFAOYSA-N 1 2 356.426 2.662 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ncc(C)o1 ZINC001096434900 1020575827 /nfs/dbraw/zinc/57/58/27/1020575827.db2.gz OEIHSMGQNIKOCP-XCLNPWKQSA-N 1 2 363.461 2.990 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ncc(C)o1 ZINC001096434900 1020575833 /nfs/dbraw/zinc/57/58/33/1020575833.db2.gz OEIHSMGQNIKOCP-XCLNPWKQSA-N 1 2 363.461 2.990 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ccnc(C2CC2)n1 ZINC001096096408 1020632662 /nfs/dbraw/zinc/63/26/62/1020632662.db2.gz LKSYKUSFMHQRFA-GIVPXCGWSA-N 1 2 372.472 2.741 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ccnc(C2CC2)n1 ZINC001096096408 1020632665 /nfs/dbraw/zinc/63/26/65/1020632665.db2.gz LKSYKUSFMHQRFA-GIVPXCGWSA-N 1 2 372.472 2.741 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC001074343803 1020642237 /nfs/dbraw/zinc/64/22/37/1020642237.db2.gz AFOZRWIQTZPJGA-XMTFNYHQSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC001074343803 1020642242 /nfs/dbraw/zinc/64/22/42/1020642242.db2.gz AFOZRWIQTZPJGA-XMTFNYHQSA-N 1 2 370.497 2.567 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(OC(C)C)ncc1F ZINC001276764828 1032924924 /nfs/dbraw/zinc/92/49/24/1032924924.db2.gz ISIGGAUUVAGEPQ-HXUWFJFHSA-N 1 2 359.445 2.598 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(OC(C)C)ncc1F ZINC001276764828 1032924934 /nfs/dbraw/zinc/92/49/34/1032924934.db2.gz ISIGGAUUVAGEPQ-HXUWFJFHSA-N 1 2 359.445 2.598 20 30 FFEDLO C[C@H]([NH2+][C@@H](c1ncccn1)C1CC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000932357718 1020780149 /nfs/dbraw/zinc/78/01/49/1020780149.db2.gz GCXPIXDXSGBTQQ-MEDUHNTESA-N 1 2 367.478 2.966 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001098287139 1020795740 /nfs/dbraw/zinc/79/57/40/1020795740.db2.gz ZCCMMCGXYXSTKA-SBHAEUEKSA-N 1 2 363.461 2.737 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001098287139 1020795748 /nfs/dbraw/zinc/79/57/48/1020795748.db2.gz ZCCMMCGXYXSTKA-SBHAEUEKSA-N 1 2 363.461 2.737 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OC)c(OC)c1)C2 ZINC001098317202 1020816975 /nfs/dbraw/zinc/81/69/75/1020816975.db2.gz LUUQMBPZMXTYFV-KFWWJZLASA-N 1 2 350.846 2.791 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OC)c(OC)c1)C2 ZINC001098317202 1020816981 /nfs/dbraw/zinc/81/69/81/1020816981.db2.gz LUUQMBPZMXTYFV-KFWWJZLASA-N 1 2 350.846 2.791 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CCCOC2)C3)c(F)c1 ZINC001098423418 1020897071 /nfs/dbraw/zinc/89/70/71/1020897071.db2.gz QOCCDXPGSKMYFH-ZSXHRAQDSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CCCOC2)C3)c(F)c1 ZINC001098423418 1020897079 /nfs/dbraw/zinc/89/70/79/1020897079.db2.gz QOCCDXPGSKMYFH-ZSXHRAQDSA-N 1 2 371.456 2.736 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N(C)C)c(F)c1)C2 ZINC001098467877 1020935294 /nfs/dbraw/zinc/93/52/94/1020935294.db2.gz AAVHBCKBACKDDS-UNEWFSDZSA-N 1 2 351.853 2.979 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N(C)C)c(F)c1)C2 ZINC001098467877 1020935296 /nfs/dbraw/zinc/93/52/96/1020935296.db2.gz AAVHBCKBACKDDS-UNEWFSDZSA-N 1 2 351.853 2.979 20 30 FFEDLO COC[C@@H]1CC[C@H]([C@@H]2COCC[N@@H+]2Cc2ccccc2C(C)(C)C#N)O1 ZINC000933196645 1020975630 /nfs/dbraw/zinc/97/56/30/1020975630.db2.gz HPOUCACXPXOAGJ-YSIASYRMSA-N 1 2 358.482 2.883 20 30 FFEDLO COC[C@@H]1CC[C@H]([C@@H]2COCC[N@H+]2Cc2ccccc2C(C)(C)C#N)O1 ZINC000933196645 1020975638 /nfs/dbraw/zinc/97/56/38/1020975638.db2.gz HPOUCACXPXOAGJ-YSIASYRMSA-N 1 2 358.482 2.883 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)c1ccco1 ZINC001111072587 1021193907 /nfs/dbraw/zinc/19/39/07/1021193907.db2.gz NZFRWGCUVYHVBM-HZMVEIRTSA-N 1 2 373.497 2.781 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)c1ccco1 ZINC001111072587 1021193912 /nfs/dbraw/zinc/19/39/12/1021193912.db2.gz NZFRWGCUVYHVBM-HZMVEIRTSA-N 1 2 373.497 2.781 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2ncc(C)cn2)C3)cc1 ZINC001098968997 1021501243 /nfs/dbraw/zinc/50/12/43/1021501243.db2.gz AAGBVPJZPYLVOC-UGKGYDQZSA-N 1 2 360.461 2.551 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2ncc(C)cn2)C3)cc1 ZINC001098968997 1021501253 /nfs/dbraw/zinc/50/12/53/1021501253.db2.gz AAGBVPJZPYLVOC-UGKGYDQZSA-N 1 2 360.461 2.551 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(NC(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)CCC[C@H]23)C1 ZINC001014324077 1021779248 /nfs/dbraw/zinc/77/92/48/1021779248.db2.gz HVWUNNJGKKRDCH-WYSJICDVSA-N 1 2 368.481 2.509 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(NC(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)CCC[C@H]23)C1 ZINC001014324077 1021779264 /nfs/dbraw/zinc/77/92/64/1021779264.db2.gz HVWUNNJGKKRDCH-WYSJICDVSA-N 1 2 368.481 2.509 20 30 FFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC001117865562 1021950726 /nfs/dbraw/zinc/95/07/26/1021950726.db2.gz DZICVECKPRLXTB-OAHLLOKOSA-N 1 2 355.417 2.595 20 30 FFEDLO C[C@@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC001099227482 1022124871 /nfs/dbraw/zinc/12/48/71/1022124871.db2.gz IISHGYYDENIHME-DRCTWCGVSA-N 1 2 361.314 2.603 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cnns2)C1 ZINC001099302240 1022258329 /nfs/dbraw/zinc/25/83/29/1022258329.db2.gz LRNDULOSULEHNP-BZPMIXESSA-N 1 2 362.421 2.619 20 30 FFEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000780312391 1022632878 /nfs/dbraw/zinc/63/28/78/1022632878.db2.gz ORORGUODTSVVGG-IBGZPJMESA-N 1 2 367.424 2.979 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1oc(C(C)C)nc1C ZINC001038264846 1022638698 /nfs/dbraw/zinc/63/86/98/1022638698.db2.gz AHFSZAGPXNGZCA-BBWFWOEESA-N 1 2 361.486 2.778 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1oc(C(C)C)nc1C ZINC001038264846 1022638704 /nfs/dbraw/zinc/63/87/04/1022638704.db2.gz AHFSZAGPXNGZCA-BBWFWOEESA-N 1 2 361.486 2.778 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095759845 1022757206 /nfs/dbraw/zinc/75/72/06/1022757206.db2.gz YFYLHLTXLOVSNG-SJORKVTESA-N 1 2 358.486 2.586 20 30 FFEDLO C=CCOc1ccc(/C=C\C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000779094859 1022789809 /nfs/dbraw/zinc/78/98/09/1022789809.db2.gz FVIBYRWTWBULJA-WRLNGNIRSA-N 1 2 353.422 2.601 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cncc(C)c1 ZINC001039943426 1022795960 /nfs/dbraw/zinc/79/59/60/1022795960.db2.gz ZIRXFAQIAAAKRH-WOZUAGRISA-N 1 2 369.509 2.937 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cncc(C)c1 ZINC001039943426 1022795975 /nfs/dbraw/zinc/79/59/75/1022795975.db2.gz ZIRXFAQIAAAKRH-WOZUAGRISA-N 1 2 369.509 2.937 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC001119723263 1022954573 /nfs/dbraw/zinc/95/45/73/1022954573.db2.gz PPJKBQMMQUXLDX-GJZGRUSLSA-N 1 2 362.499 2.923 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC001119723263 1022954577 /nfs/dbraw/zinc/95/45/77/1022954577.db2.gz PPJKBQMMQUXLDX-GJZGRUSLSA-N 1 2 362.499 2.923 20 30 FFEDLO C#CC1CCN(c2nnc([C@@H](CC(C)C)n3cc[nH+]c3)n2CCOC)CC1 ZINC001122312779 1023182458 /nfs/dbraw/zinc/18/24/58/1023182458.db2.gz KCWMVUMYCAPGFI-GOSISDBHSA-N 1 2 370.501 2.606 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2cccc(C)c2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001122395501 1023240731 /nfs/dbraw/zinc/24/07/31/1023240731.db2.gz OJMDDXBTINWBHD-RXVVDRJESA-N 1 2 369.513 2.711 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2cccc(C)c2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001122395501 1023240736 /nfs/dbraw/zinc/24/07/36/1023240736.db2.gz OJMDDXBTINWBHD-RXVVDRJESA-N 1 2 369.513 2.711 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@@H]2C2CCC2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001122396111 1023241299 /nfs/dbraw/zinc/24/12/99/1023241299.db2.gz WYXDIEGMHWBUNE-HLIPFELVSA-N 1 2 359.518 2.535 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@@H]2C2CCC2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001122396111 1023241307 /nfs/dbraw/zinc/24/13/07/1023241307.db2.gz WYXDIEGMHWBUNE-HLIPFELVSA-N 1 2 359.518 2.535 20 30 FFEDLO C=C(C)Cn1c(N2CCCC(C)(C)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001122482673 1023296474 /nfs/dbraw/zinc/29/64/74/1023296474.db2.gz OJFMARXFUXSTKW-UZLBHIALSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCCC(C)(C)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001122482673 1023296478 /nfs/dbraw/zinc/29/64/78/1023296478.db2.gz OJFMARXFUXSTKW-UZLBHIALSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[C@H]2C#N)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001122523859 1023317885 /nfs/dbraw/zinc/31/78/85/1023317885.db2.gz OMGFRIGRQXROOJ-RDJZCZTQSA-N 1 2 363.469 2.957 20 30 FFEDLO CCOCCCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@H](CC#N)C1 ZINC001122606360 1023364137 /nfs/dbraw/zinc/36/41/37/1023364137.db2.gz PQPCVLIEPGQKFV-IAGOWNOFSA-N 1 2 360.506 2.601 20 30 FFEDLO CCOCCCn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@H](CC#N)C1 ZINC001122606360 1023364143 /nfs/dbraw/zinc/36/41/43/1023364143.db2.gz PQPCVLIEPGQKFV-IAGOWNOFSA-N 1 2 360.506 2.601 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCOC[C@@H](C)C2)c1C#N ZINC000754384720 1023462885 /nfs/dbraw/zinc/46/28/85/1023462885.db2.gz IGHVHGRVFBCMGE-AWEZNQCLSA-N 1 2 358.486 2.999 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCOC[C@@H](C)C2)c1C#N ZINC000754384720 1023462891 /nfs/dbraw/zinc/46/28/91/1023462891.db2.gz IGHVHGRVFBCMGE-AWEZNQCLSA-N 1 2 358.486 2.999 20 30 FFEDLO C=CCc1cc(OC)cc(C[N@@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000754735749 1023510432 /nfs/dbraw/zinc/51/04/32/1023510432.db2.gz AVHCLVWHCVRIQU-KRWDZBQOSA-N 1 2 363.454 2.672 20 30 FFEDLO C=CCc1cc(OC)cc(C[N@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000754735749 1023510438 /nfs/dbraw/zinc/51/04/38/1023510438.db2.gz AVHCLVWHCVRIQU-KRWDZBQOSA-N 1 2 363.454 2.672 20 30 FFEDLO C=C1CCC(C(=O)N2CCC(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC000949417722 1023530344 /nfs/dbraw/zinc/53/03/44/1023530344.db2.gz LJRCDCLPKCNZHT-QZTJIDSGSA-N 1 2 370.497 2.614 20 30 FFEDLO C=C1CCC(C(=O)N2CCC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC000949417722 1023530354 /nfs/dbraw/zinc/53/03/54/1023530354.db2.gz LJRCDCLPKCNZHT-QZTJIDSGSA-N 1 2 370.497 2.614 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1Cc1cccs1 ZINC001122950087 1023570380 /nfs/dbraw/zinc/57/03/80/1023570380.db2.gz GHPAJMWKURVHEE-WBVHZDCISA-N 1 2 373.526 2.628 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1Cc1cccs1 ZINC001122950087 1023570384 /nfs/dbraw/zinc/57/03/84/1023570384.db2.gz GHPAJMWKURVHEE-WBVHZDCISA-N 1 2 373.526 2.628 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001490853158 1023596175 /nfs/dbraw/zinc/59/61/75/1023596175.db2.gz SFPQILZEOGDJSD-TVFCKZIOSA-N 1 2 372.513 2.777 20 30 FFEDLO C#CCN(C)c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1C[C@@H]1CCCCO1 ZINC001123168395 1023667202 /nfs/dbraw/zinc/66/72/02/1023667202.db2.gz NLXIWIDKASRWJX-ZWKOTPCHSA-N 1 2 370.501 2.749 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc4n3CCCC4)[C@H]2C1 ZINC001222767764 1033152281 /nfs/dbraw/zinc/15/22/81/1033152281.db2.gz MRYBEKAORVAIFJ-SJORKVTESA-N 1 2 371.529 2.640 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc4n3CCCC4)[C@H]2C1 ZINC001222767764 1033152286 /nfs/dbraw/zinc/15/22/86/1033152286.db2.gz MRYBEKAORVAIFJ-SJORKVTESA-N 1 2 371.529 2.640 20 30 FFEDLO C#CCN(c1nnc(Cc2[nH+]ccn2C)n1C)[C@@H]1CCCc2ccccc21 ZINC001121268598 1023679954 /nfs/dbraw/zinc/67/99/54/1023679954.db2.gz SEGWUNFPXFBFIJ-GOSISDBHSA-N 1 2 360.465 2.657 20 30 FFEDLO C=CCN(CCc1ccco1)c1nnc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1C ZINC001121433895 1023772652 /nfs/dbraw/zinc/77/26/52/1023772652.db2.gz MZDBMXIETHVWJB-SJLPKXTDSA-N 1 2 371.485 2.569 20 30 FFEDLO C=CCN(CCc1ccco1)c1nnc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)n1C ZINC001121433895 1023772661 /nfs/dbraw/zinc/77/26/61/1023772661.db2.gz MZDBMXIETHVWJB-SJLPKXTDSA-N 1 2 371.485 2.569 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](Cc3ccccc3)CCO2)nnc1N1CC=CCC1 ZINC001121524935 1023825892 /nfs/dbraw/zinc/82/58/92/1023825892.db2.gz XNCDAQOKCQUODY-IBGZPJMESA-N 1 2 365.481 2.804 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nnc1N1CC=CCC1 ZINC001121524935 1023825901 /nfs/dbraw/zinc/82/59/01/1023825901.db2.gz XNCDAQOKCQUODY-IBGZPJMESA-N 1 2 365.481 2.804 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccccc1)C2 ZINC001111317504 1023877206 /nfs/dbraw/zinc/87/72/06/1023877206.db2.gz ATIUXEKUSNCCGR-NRSPTQNISA-N 1 2 361.445 2.859 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccccc1)C2 ZINC001111317504 1023877214 /nfs/dbraw/zinc/87/72/14/1023877214.db2.gz ATIUXEKUSNCCGR-NRSPTQNISA-N 1 2 361.445 2.859 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001121684157 1023925101 /nfs/dbraw/zinc/92/51/01/1023925101.db2.gz GCXVIPHAATWJQG-GOSISDBHSA-N 1 2 354.502 2.793 20 30 FFEDLO CCC[N@H+](Cn1ccc(C)c(C#N)c1=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000758220719 1023972855 /nfs/dbraw/zinc/97/28/55/1023972855.db2.gz RTUYYPDHWRNJMO-INIZCTEOSA-N 1 2 374.485 2.707 20 30 FFEDLO CCC[N@@H+](Cn1ccc(C)c(C#N)c1=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000758220719 1023972869 /nfs/dbraw/zinc/97/28/69/1023972869.db2.gz RTUYYPDHWRNJMO-INIZCTEOSA-N 1 2 374.485 2.707 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(CC)no3)C[C@@]2(C)C1 ZINC001101250043 1024188512 /nfs/dbraw/zinc/18/85/12/1024188512.db2.gz YPXOIMVSISQUAQ-UZLBHIALSA-N 1 2 358.486 2.681 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@H+](Cc3nc(CC)no3)C[C@@]2(C)C1 ZINC001101250043 1024188517 /nfs/dbraw/zinc/18/85/17/1024188517.db2.gz YPXOIMVSISQUAQ-UZLBHIALSA-N 1 2 358.486 2.681 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C(C)(C)C)C[C@@]2(C)C1 ZINC001101253837 1024207853 /nfs/dbraw/zinc/20/78/53/1024207853.db2.gz ZPQQIFZNXFBJOI-UZLBHIALSA-N 1 2 359.518 2.670 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C(C)(C)C)C[C@@]2(C)C1 ZINC001101253837 1024207859 /nfs/dbraw/zinc/20/78/59/1024207859.db2.gz ZPQQIFZNXFBJOI-UZLBHIALSA-N 1 2 359.518 2.670 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001218524309 1033200832 /nfs/dbraw/zinc/20/08/32/1033200832.db2.gz WJLVJHADTNEQTH-RYGJVYDSSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001218524309 1033200843 /nfs/dbraw/zinc/20/08/43/1033200843.db2.gz WJLVJHADTNEQTH-RYGJVYDSSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3oc(CC)nc3C)C[C@@H]21 ZINC001218523774 1033201644 /nfs/dbraw/zinc/20/16/44/1033201644.db2.gz PONCETGXEPDZKN-UWWQBHOKSA-N 1 2 361.486 2.559 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3oc(CC)nc3C)C[C@@H]21 ZINC001218523774 1033201655 /nfs/dbraw/zinc/20/16/55/1033201655.db2.gz PONCETGXEPDZKN-UWWQBHOKSA-N 1 2 361.486 2.559 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)n3C)C[C@@]2(C)C1 ZINC001101333169 1024476081 /nfs/dbraw/zinc/47/60/81/1024476081.db2.gz KAIGFBANRWBUKR-XPIZARPCSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)n3C)C[C@@]2(C)C1 ZINC001101333169 1024476092 /nfs/dbraw/zinc/47/60/92/1024476092.db2.gz KAIGFBANRWBUKR-XPIZARPCSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C)nc2C)CC1 ZINC000951585071 1024592865 /nfs/dbraw/zinc/59/28/65/1024592865.db2.gz ZFBWZJMDIUYUIV-PMACEKPBSA-N 1 2 357.498 2.714 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccc(OC)cc1)C2 ZINC001111397363 1024737866 /nfs/dbraw/zinc/73/78/66/1024737866.db2.gz COVNNPRGTPJDCL-XYPHTWIQSA-N 1 2 350.846 2.548 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccc(OC)cc1)C2 ZINC001111397363 1024737879 /nfs/dbraw/zinc/73/78/79/1024737879.db2.gz COVNNPRGTPJDCL-XYPHTWIQSA-N 1 2 350.846 2.548 20 30 FFEDLO C[C@@H](ON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(C#N)cc1 ZINC000194667592 1024874791 /nfs/dbraw/zinc/87/47/91/1024874791.db2.gz LXORBGPXVQZZSB-OXQOHEQNSA-N 1 2 364.449 2.809 20 30 FFEDLO C[C@@H](ON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(C#N)cc1 ZINC000194667592 1024874797 /nfs/dbraw/zinc/87/47/97/1024874797.db2.gz LXORBGPXVQZZSB-OXQOHEQNSA-N 1 2 364.449 2.809 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2ncc(Cl)n2C)C[C@H]1C ZINC001102262945 1025660258 /nfs/dbraw/zinc/66/02/58/1025660258.db2.gz QDNMLFARTTUQGR-QLFBSQMISA-N 1 2 352.910 2.860 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ncc(Cl)n2C)C[C@H]1C ZINC001102262945 1025660269 /nfs/dbraw/zinc/66/02/69/1025660269.db2.gz QDNMLFARTTUQGR-QLFBSQMISA-N 1 2 352.910 2.860 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001102407134 1025911335 /nfs/dbraw/zinc/91/13/35/1025911335.db2.gz PTZYRQRLQOEWCS-RBSFLKMASA-N 1 2 367.428 2.557 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001102407134 1025911350 /nfs/dbraw/zinc/91/13/50/1025911350.db2.gz PTZYRQRLQOEWCS-RBSFLKMASA-N 1 2 367.428 2.557 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001102407772 1025912085 /nfs/dbraw/zinc/91/20/85/1025912085.db2.gz LIMJQCXWJIJCNM-ZIAGYGMSSA-N 1 2 366.531 2.723 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001102407772 1025912096 /nfs/dbraw/zinc/91/20/96/1025912096.db2.gz LIMJQCXWJIJCNM-ZIAGYGMSSA-N 1 2 366.531 2.723 20 30 FFEDLO C#Cc1ccccc1CC(=O)NC[C@@H]1C[N@H+]([C@H](C)c2csnn2)C[C@H]1C ZINC001102532528 1026247964 /nfs/dbraw/zinc/24/79/64/1026247964.db2.gz QVFKGVHYPFIQGT-IIDMSEBBSA-N 1 2 368.506 2.507 20 30 FFEDLO C#Cc1ccccc1CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)c2csnn2)C[C@H]1C ZINC001102532528 1026247972 /nfs/dbraw/zinc/24/79/72/1026247972.db2.gz QVFKGVHYPFIQGT-IIDMSEBBSA-N 1 2 368.506 2.507 20 30 FFEDLO C=CCCOCC(=O)NC[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001102609059 1026421681 /nfs/dbraw/zinc/42/16/81/1026421681.db2.gz HFEDHCFIHYYMMA-CHWSQXEVSA-N 1 2 357.907 2.573 20 30 FFEDLO C=CCCOCC(=O)NC[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001102609059 1026421684 /nfs/dbraw/zinc/42/16/84/1026421684.db2.gz HFEDHCFIHYYMMA-CHWSQXEVSA-N 1 2 357.907 2.573 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2noc(C3CC3)n2)C[C@H]1CCNC(=O)C#CC(C)(C)C ZINC001102966731 1026840955 /nfs/dbraw/zinc/84/09/55/1026840955.db2.gz NUUXOISKNQPYED-GDBMZVCRSA-N 1 2 358.486 2.571 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2noc(C3CC3)n2)C[C@H]1CCNC(=O)C#CC(C)(C)C ZINC001102966731 1026840958 /nfs/dbraw/zinc/84/09/58/1026840958.db2.gz NUUXOISKNQPYED-GDBMZVCRSA-N 1 2 358.486 2.571 20 30 FFEDLO C#CC[N@@H+](CN1C(=O)C2(CCOCC2)[C@@H]1C1CC1)[C@@H]1CCc2ccccc21 ZINC000839963775 1026883925 /nfs/dbraw/zinc/88/39/25/1026883925.db2.gz KIZYMLKORZGSDU-RTWAWAEBSA-N 1 2 364.489 2.984 20 30 FFEDLO C#CC[N@H+](CN1C(=O)C2(CCOCC2)[C@@H]1C1CC1)[C@@H]1CCc2ccccc21 ZINC000839963775 1026883931 /nfs/dbraw/zinc/88/39/31/1026883931.db2.gz KIZYMLKORZGSDU-RTWAWAEBSA-N 1 2 364.489 2.984 20 30 FFEDLO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000840159345 1026992058 /nfs/dbraw/zinc/99/20/58/1026992058.db2.gz HQMSTXVPMDDFCD-NRFANRHFSA-N 1 2 371.481 2.610 20 30 FFEDLO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000840159345 1026992063 /nfs/dbraw/zinc/99/20/63/1026992063.db2.gz HQMSTXVPMDDFCD-NRFANRHFSA-N 1 2 371.481 2.610 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001103179016 1027034497 /nfs/dbraw/zinc/03/44/97/1027034497.db2.gz AURGKJRHXDFGGZ-TZMCWYRMSA-N 1 2 350.894 2.729 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001103179016 1027034508 /nfs/dbraw/zinc/03/45/08/1027034508.db2.gz AURGKJRHXDFGGZ-TZMCWYRMSA-N 1 2 350.894 2.729 20 30 FFEDLO CSc1nc(C[NH+]2CC(CN(C)C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141931566 1027171723 /nfs/dbraw/zinc/17/17/23/1027171723.db2.gz DVHXPHIPKYFSFZ-UHFFFAOYSA-N 1 2 362.499 2.974 20 30 FFEDLO CSc1nc(C[NH+]2CCC(Oc3ncc(C)cn3)CC2)ccc1C#N ZINC001141946025 1027199377 /nfs/dbraw/zinc/19/93/77/1027199377.db2.gz WSBSLLJEZGDDEE-UHFFFAOYSA-N 1 2 355.467 2.817 20 30 FFEDLO C=CC(C)(C)C(=O)NCC[C@@H]1C[N@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001103315388 1027210204 /nfs/dbraw/zinc/21/02/04/1027210204.db2.gz ZRZCPNJZQFKBTB-ZIAGYGMSSA-N 1 2 366.531 2.723 20 30 FFEDLO C=CC(C)(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001103315388 1027210221 /nfs/dbraw/zinc/21/02/21/1027210221.db2.gz ZRZCPNJZQFKBTB-ZIAGYGMSSA-N 1 2 366.531 2.723 20 30 FFEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)cc1 ZINC000092937654 1027518532 /nfs/dbraw/zinc/51/85/32/1027518532.db2.gz FWRWDGOOJFDUSB-INIZCTEOSA-N 1 2 365.433 2.641 20 30 FFEDLO C=CCN1C(=O)CC[C@]12CCCN(C(=O)c1cccc3[nH+]ccn31)CC2 ZINC001154522145 1028333954 /nfs/dbraw/zinc/33/39/54/1028333954.db2.gz OVGGAOKTPHOHDQ-FQEVSTJZSA-N 1 2 352.438 2.508 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1NCc1ccc2[nH+]ccn2c1 ZINC001163141260 1028821963 /nfs/dbraw/zinc/82/19/63/1028821963.db2.gz VMVSBYKQDZOWOI-AWEZNQCLSA-N 1 2 364.409 2.685 20 30 FFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000780928052 1028876812 /nfs/dbraw/zinc/87/68/12/1028876812.db2.gz FNFLSSCNXDJCKG-FOIQADDNSA-N 1 2 367.424 2.636 20 30 FFEDLO N#Cc1ccc([C@H](O)C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC000780931975 1028877854 /nfs/dbraw/zinc/87/78/54/1028877854.db2.gz HHBJLVLELYYPEP-FQEVSTJZSA-N 1 2 364.449 2.683 20 30 FFEDLO N#CN=C(Nc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1)c1ccncc1 ZINC001164506099 1029302081 /nfs/dbraw/zinc/30/20/81/1029302081.db2.gz YOLNJWQRDBTDRV-UHFFFAOYSA-N 1 2 366.388 2.873 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CCC)OC)C1 ZINC001111829546 1029576810 /nfs/dbraw/zinc/57/68/10/1029576810.db2.gz MDLBMPDQNVXAIT-LZWOXQAQSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CCC)OC)C1 ZINC001111829546 1029576819 /nfs/dbraw/zinc/57/68/19/1029576819.db2.gz MDLBMPDQNVXAIT-LZWOXQAQSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)n1CC)C2 ZINC001111848857 1029614312 /nfs/dbraw/zinc/61/43/12/1029614312.db2.gz VUNPGVAFXWNWBW-KNBMTAEXSA-N 1 2 359.518 2.679 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)n1CC)C2 ZINC001111848857 1029614316 /nfs/dbraw/zinc/61/43/16/1029614316.db2.gz VUNPGVAFXWNWBW-KNBMTAEXSA-N 1 2 359.518 2.679 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(C3CC3)nn1C)C2 ZINC001111858885 1029630836 /nfs/dbraw/zinc/63/08/36/1029630836.db2.gz DBVJTDBDBNMUNX-JXFKEZNVSA-N 1 2 357.502 2.520 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(C3CC3)nn1C)C2 ZINC001111858885 1029630843 /nfs/dbraw/zinc/63/08/43/1029630843.db2.gz DBVJTDBDBNMUNX-JXFKEZNVSA-N 1 2 357.502 2.520 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCCOc2ccccc2C#N)cc1OC ZINC000782321603 1029656826 /nfs/dbraw/zinc/65/68/26/1029656826.db2.gz QVBWORFTOVILPM-UHFFFAOYSA-N 1 2 355.394 2.695 20 30 FFEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCNC(=O)[C@@H]3c3ccc(Cl)cc3)c12 ZINC001157788105 1029664871 /nfs/dbraw/zinc/66/48/71/1029664871.db2.gz SZJYWBRNKOAYEZ-INIZCTEOSA-N 1 2 351.797 2.765 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cscn2)C1 ZINC001112086514 1029974222 /nfs/dbraw/zinc/97/42/22/1029974222.db2.gz FJHREDXEDQFWQZ-ZIAGYGMSSA-N 1 2 359.417 2.816 20 30 FFEDLO N#Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)CCCF)C[C@H]1C(F)(F)F ZINC001112146990 1030098205 /nfs/dbraw/zinc/09/82/05/1030098205.db2.gz ZDAAOPNWNOJUIS-HUUCEWRRSA-N 1 2 357.351 2.787 20 30 FFEDLO N#CCc1cc[nH+]c(N2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)c1 ZINC001166157581 1030279458 /nfs/dbraw/zinc/27/94/58/1030279458.db2.gz OFEBYNOSZPZGCJ-SFHVURJKSA-N 1 2 370.407 2.680 20 30 FFEDLO Cc1noc(C[C@H]2C[C@H]3CN(c4[nH+]ccc5ccc(C#N)cc54)C[C@H]3O2)n1 ZINC001166283391 1030339895 /nfs/dbraw/zinc/33/98/95/1030339895.db2.gz IIHUSNXFDQCRQO-LZLYRXPVSA-N 1 2 361.405 2.634 20 30 FFEDLO Cc1nc(-n2cncn2)cc(N2CCC(Cc3ccc(C#N)cc3)CC2)[nH+]1 ZINC001166766495 1030511930 /nfs/dbraw/zinc/51/19/30/1030511930.db2.gz ICCUZXDDADDSCK-UHFFFAOYSA-N 1 2 359.437 2.697 20 30 FFEDLO Cc1ccc(N2CC[NH+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)cc1 ZINC000784393430 1030600976 /nfs/dbraw/zinc/60/09/76/1030600976.db2.gz ZQXCNGWECKRCJN-UHFFFAOYSA-N 1 2 354.498 2.802 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cc(O)c(O)c(OC)c1)CCO2 ZINC001204343244 1031237867 /nfs/dbraw/zinc/23/78/67/1031237867.db2.gz QPRSBYKXKYTMKO-OXQOHEQNSA-N 1 2 363.454 2.680 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cc(O)c(O)c(OC)c1)CCO2 ZINC001204343244 1031237880 /nfs/dbraw/zinc/23/78/80/1031237880.db2.gz QPRSBYKXKYTMKO-OXQOHEQNSA-N 1 2 363.454 2.680 20 30 FFEDLO C=CCN1CC[N@@H+](C)C2(CCN(Cc3ccc(Cl)s3)CC2)C1=O ZINC001204442851 1031293260 /nfs/dbraw/zinc/29/32/60/1031293260.db2.gz SXQTXUWTEHPSAE-UHFFFAOYSA-N 1 2 353.919 2.696 20 30 FFEDLO C=CCN1CC[N@H+](C)C2(CCN(Cc3ccc(Cl)s3)CC2)C1=O ZINC001204442851 1031293271 /nfs/dbraw/zinc/29/32/71/1031293271.db2.gz SXQTXUWTEHPSAE-UHFFFAOYSA-N 1 2 353.919 2.696 20 30 FFEDLO N#Cc1cc(C[NH+]2CCN(c3cccc4c3OCCO4)CC2)ccc1F ZINC001205493792 1031790433 /nfs/dbraw/zinc/79/04/33/1031790433.db2.gz QNEGRASXHUQSQZ-UHFFFAOYSA-N 1 2 353.397 2.791 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001205563527 1031837525 /nfs/dbraw/zinc/83/75/25/1031837525.db2.gz UMVUFSRXOHOSQO-DOTOQJQBSA-N 1 2 358.417 2.568 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C\c3ccccc3C#N)CC2)cc1 ZINC000799733324 1031869700 /nfs/dbraw/zinc/86/97/00/1031869700.db2.gz DDJBEVUCKASMLN-KTKRTIGZSA-N 1 2 356.429 2.788 20 30 FFEDLO C#CC[C@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000799794147 1031887304 /nfs/dbraw/zinc/88/73/04/1031887304.db2.gz NJAAUSRHHMDJGA-IBGZPJMESA-N 1 2 365.458 2.974 20 30 FFEDLO COc1ccc(C[N@H+](CC2CC2)Cn2ccc(C)c(C#N)c2=O)c(OC)c1 ZINC000799958419 1031934980 /nfs/dbraw/zinc/93/49/80/1031934980.db2.gz DFEOTVSMYVPJQN-UHFFFAOYSA-N 1 2 367.449 2.915 20 30 FFEDLO COc1ccc(C[N@@H+](CC2CC2)Cn2ccc(C)c(C#N)c2=O)c(OC)c1 ZINC000799958419 1031934994 /nfs/dbraw/zinc/93/49/94/1031934994.db2.gz DFEOTVSMYVPJQN-UHFFFAOYSA-N 1 2 367.449 2.915 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3cn(C(C)C)nn3)[C@H]2C1 ZINC001223338548 1033402591 /nfs/dbraw/zinc/40/25/91/1033402591.db2.gz SIGHQGQYKCNSAR-SCTDSRPQSA-N 1 2 359.518 2.884 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(C(C)C)nn3)[C@H]2C1 ZINC001223338548 1033402602 /nfs/dbraw/zinc/40/26/02/1033402602.db2.gz SIGHQGQYKCNSAR-SCTDSRPQSA-N 1 2 359.518 2.884 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2CC(=O)Nc2c(C)cccc2C)C1=O ZINC001276914962 1033568442 /nfs/dbraw/zinc/56/84/42/1033568442.db2.gz SBABFJHFQRGCMG-NRFANRHFSA-N 1 2 355.482 2.885 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2CC(=O)Nc2c(C)cccc2C)C1=O ZINC001276914962 1033568448 /nfs/dbraw/zinc/56/84/48/1033568448.db2.gz SBABFJHFQRGCMG-NRFANRHFSA-N 1 2 355.482 2.885 20 30 FFEDLO C#CCN1C(=O)COCC12C[NH+](Cc1ccc(C3CCCCC3)cc1)C2 ZINC001276922412 1033599911 /nfs/dbraw/zinc/59/99/11/1033599911.db2.gz BENWCFDGFCISDY-UHFFFAOYSA-N 1 2 352.478 2.781 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C[C@@H]1O ZINC001219346706 1033609453 /nfs/dbraw/zinc/60/94/53/1033609453.db2.gz SPIOXXDZNAEWFR-UAGQMJEPSA-N 1 2 355.438 2.530 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C[C@@H]1O ZINC001219346706 1033609463 /nfs/dbraw/zinc/60/94/63/1033609463.db2.gz SPIOXXDZNAEWFR-UAGQMJEPSA-N 1 2 355.438 2.530 20 30 FFEDLO CCCC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001219560580 1033690035 /nfs/dbraw/zinc/69/00/35/1033690035.db2.gz HSDPPVVOAMIABM-IPELMVKDSA-N 1 2 362.901 2.679 20 30 FFEDLO CCCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001219560580 1033690040 /nfs/dbraw/zinc/69/00/40/1033690040.db2.gz HSDPPVVOAMIABM-IPELMVKDSA-N 1 2 362.901 2.679 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(C(C)C)o3)[C@H]2C1 ZINC001224289634 1033830503 /nfs/dbraw/zinc/83/05/03/1033830503.db2.gz SJLPDKHHUBDBAF-ZACQAIPSSA-N 1 2 361.486 2.812 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(C(C)C)o3)[C@H]2C1 ZINC001224289634 1033830513 /nfs/dbraw/zinc/83/05/13/1033830513.db2.gz SJLPDKHHUBDBAF-ZACQAIPSSA-N 1 2 361.486 2.812 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(Cl)nccc1N(C)C ZINC001276808495 1033850055 /nfs/dbraw/zinc/85/00/55/1033850055.db2.gz WBPCMSTZXQTNQC-LJQANCHMSA-N 1 2 362.905 2.944 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(Cl)nccc1N(C)C ZINC001276808495 1033850060 /nfs/dbraw/zinc/85/00/60/1033850060.db2.gz WBPCMSTZXQTNQC-LJQANCHMSA-N 1 2 362.905 2.944 20 30 FFEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3cc(F)c(Cl)cc3O)C2)OCC1=O ZINC001276968239 1033866910 /nfs/dbraw/zinc/86/69/10/1033866910.db2.gz ZXPAAQZPFXUVGE-GOSISDBHSA-N 1 2 368.836 2.564 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001220128077 1033995356 /nfs/dbraw/zinc/99/53/56/1033995356.db2.gz RUDNFSVQNUMVHP-VUCTXSBTSA-N 1 2 352.425 2.789 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001220128077 1033995366 /nfs/dbraw/zinc/99/53/66/1033995366.db2.gz RUDNFSVQNUMVHP-VUCTXSBTSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@@H]1O ZINC001220147615 1034005185 /nfs/dbraw/zinc/00/51/85/1034005185.db2.gz GIBXURAAXXVTHC-XZJROXQQSA-N 1 2 354.853 2.914 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@@H]1O ZINC001220147615 1034005198 /nfs/dbraw/zinc/00/51/98/1034005198.db2.gz GIBXURAAXXVTHC-XZJROXQQSA-N 1 2 354.853 2.914 20 30 FFEDLO C=CCn1cc2ccc(NC(=O)NCc3coc(C[NH+](C)C)n3)cc2n1 ZINC001220157717 1034010408 /nfs/dbraw/zinc/01/04/08/1034010408.db2.gz SXTDEMABEZEKTN-UHFFFAOYSA-N 1 2 354.414 2.594 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1O ZINC001220280514 1034095446 /nfs/dbraw/zinc/09/54/46/1034095446.db2.gz MCHQZBCTTDFZND-DYXWJJEUSA-N 1 2 369.465 2.605 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1O ZINC001220280514 1034095462 /nfs/dbraw/zinc/09/54/62/1034095462.db2.gz MCHQZBCTTDFZND-DYXWJJEUSA-N 1 2 369.465 2.605 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)C1CCCCC1 ZINC001220539845 1034245476 /nfs/dbraw/zinc/24/54/76/1034245476.db2.gz UTKPEEZNDYKEBZ-BWAGFHJFSA-N 1 2 368.521 2.806 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)C1CCCCC1 ZINC001220539845 1034245488 /nfs/dbraw/zinc/24/54/88/1034245488.db2.gz UTKPEEZNDYKEBZ-BWAGFHJFSA-N 1 2 368.521 2.806 20 30 FFEDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@]2(C#N)CCCOC2)CC1 ZINC000831867807 1034361381 /nfs/dbraw/zinc/36/13/81/1034361381.db2.gz FZAJONBPSIMKNW-UYAOXDASSA-N 1 2 359.445 2.741 20 30 FFEDLO CCOC(=O)C1(C#N)CCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC001138564266 1034418438 /nfs/dbraw/zinc/41/84/38/1034418438.db2.gz KTZVMVGEYLMTJE-UHFFFAOYSA-N 1 2 352.438 2.600 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2conc2CC)C[C@@H]1O ZINC001220834912 1034419502 /nfs/dbraw/zinc/41/95/02/1034419502.db2.gz NTEBPENQLSJQOH-MSOLQXFVSA-N 1 2 351.491 2.649 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2conc2CC)C[C@@H]1O ZINC001220834912 1034419508 /nfs/dbraw/zinc/41/95/08/1034419508.db2.gz NTEBPENQLSJQOH-MSOLQXFVSA-N 1 2 351.491 2.649 20 30 FFEDLO COc1cc(F)c(C[N@@H+]2CCC[C@]23CCN(CCCC#N)C3=O)cc1F ZINC001277102695 1034542302 /nfs/dbraw/zinc/54/23/02/1034542302.db2.gz CLNYXEFDZACXSV-LJQANCHMSA-N 1 2 363.408 2.844 20 30 FFEDLO COc1cc(F)c(C[N@H+]2CCC[C@]23CCN(CCCC#N)C3=O)cc1F ZINC001277102695 1034542307 /nfs/dbraw/zinc/54/23/07/1034542307.db2.gz CLNYXEFDZACXSV-LJQANCHMSA-N 1 2 363.408 2.844 20 30 FFEDLO CCO[C@H](CC)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221373399 1034696415 /nfs/dbraw/zinc/69/64/15/1034696415.db2.gz SVKOZKSEDJZLNL-ATZDWAIDSA-N 1 2 359.445 2.545 20 30 FFEDLO CCO[C@H](CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221373399 1034696419 /nfs/dbraw/zinc/69/64/19/1034696419.db2.gz SVKOZKSEDJZLNL-ATZDWAIDSA-N 1 2 359.445 2.545 20 30 FFEDLO N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2cn3ccc(Cl)cc3n2)C1=O ZINC001277130480 1034699920 /nfs/dbraw/zinc/69/99/20/1034699920.db2.gz KSGUIAHTTPJNPZ-LJQANCHMSA-N 1 2 371.872 2.858 20 30 FFEDLO N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cn3ccc(Cl)cc3n2)C1=O ZINC001277130480 1034699922 /nfs/dbraw/zinc/69/99/22/1034699922.db2.gz KSGUIAHTTPJNPZ-LJQANCHMSA-N 1 2 371.872 2.858 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2c(Cl)cc(OC)cc2OC)C1=O ZINC001277137684 1034733997 /nfs/dbraw/zinc/73/39/97/1034733997.db2.gz XWMNOFWPKJNNOR-IBGZPJMESA-N 1 2 362.857 2.557 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2c(Cl)cc(OC)cc2OC)C1=O ZINC001277137684 1034734012 /nfs/dbraw/zinc/73/40/12/1034734012.db2.gz XWMNOFWPKJNNOR-IBGZPJMESA-N 1 2 362.857 2.557 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(OC)cc3)C[C@H]21 ZINC001221429104 1034747928 /nfs/dbraw/zinc/74/79/28/1034747928.db2.gz HREONODXWOQTOD-GPMSIDNRSA-N 1 2 371.481 2.521 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(OC)cc3)C[C@H]21 ZINC001221429104 1034747941 /nfs/dbraw/zinc/74/79/41/1034747941.db2.gz HREONODXWOQTOD-GPMSIDNRSA-N 1 2 371.481 2.521 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)c3cc(F)ccc3F)C[C@H]21 ZINC001221435869 1034757655 /nfs/dbraw/zinc/75/76/55/1034757655.db2.gz AWIQUNMDVDWZGL-HBUWYVDXSA-N 1 2 350.409 2.761 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)c3cc(F)ccc3F)C[C@H]21 ZINC001221435869 1034757662 /nfs/dbraw/zinc/75/76/62/1034757662.db2.gz AWIQUNMDVDWZGL-HBUWYVDXSA-N 1 2 350.409 2.761 20 30 FFEDLO CSC[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221448042 1034774493 /nfs/dbraw/zinc/77/44/93/1034774493.db2.gz XAZVBQRXGNGVNE-FDQGKXFDSA-N 1 2 361.486 2.729 20 30 FFEDLO CSC[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221448042 1034774504 /nfs/dbraw/zinc/77/45/04/1034774504.db2.gz XAZVBQRXGNGVNE-FDQGKXFDSA-N 1 2 361.486 2.729 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@H+](Cc3nc4ccccc4o3)C[C@H]21 ZINC001221471300 1034796468 /nfs/dbraw/zinc/79/64/68/1034796468.db2.gz XJAQZALQKDEGFE-SJLPKXTDSA-N 1 2 369.465 2.843 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3nc4ccccc4o3)C[C@H]21 ZINC001221471300 1034796482 /nfs/dbraw/zinc/79/64/82/1034796482.db2.gz XJAQZALQKDEGFE-SJLPKXTDSA-N 1 2 369.465 2.843 20 30 FFEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001221542280 1034860711 /nfs/dbraw/zinc/86/07/11/1034860711.db2.gz HZOGTTBMHFQHGF-RDTXWAMCSA-N 1 2 364.848 2.552 20 30 FFEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001221542280 1034860717 /nfs/dbraw/zinc/86/07/17/1034860717.db2.gz HZOGTTBMHFQHGF-RDTXWAMCSA-N 1 2 364.848 2.552 20 30 FFEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(Cl)c3)C[C@H]21 ZINC001221545045 1034863792 /nfs/dbraw/zinc/86/37/92/1034863792.db2.gz UHHQZTRDGBLIRR-CRAIPNDOSA-N 1 2 364.848 2.552 20 30 FFEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3)C[C@H]21 ZINC001221545045 1034863802 /nfs/dbraw/zinc/86/38/02/1034863802.db2.gz UHHQZTRDGBLIRR-CRAIPNDOSA-N 1 2 364.848 2.552 20 30 FFEDLO COCC(=O)c1ccc(O)cc1O[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001227171534 1034961516 /nfs/dbraw/zinc/96/15/16/1034961516.db2.gz DOGYRUILOLESAG-SFHVURJKSA-N 1 2 366.417 2.746 20 30 FFEDLO COCC(=O)c1ccc(O)cc1O[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001227171534 1034961523 /nfs/dbraw/zinc/96/15/23/1034961523.db2.gz DOGYRUILOLESAG-SFHVURJKSA-N 1 2 366.417 2.746 20 30 FFEDLO N#Cc1ccccc1OC1C[NH+](Cc2ccc(N3CCC(O)CC3)s2)C1 ZINC001139295494 1035048725 /nfs/dbraw/zinc/04/87/25/1035048725.db2.gz ZGEKXRMGPHDCCG-UHFFFAOYSA-N 1 2 369.490 2.844 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(OC)ccn4)C[C@H]32)CC1 ZINC001221794122 1035074104 /nfs/dbraw/zinc/07/41/04/1035074104.db2.gz SKXCJYGQIJTNMN-VQIMIIECSA-N 1 2 355.482 2.869 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(OC)ccn4)C[C@H]32)CC1 ZINC001221794122 1035074112 /nfs/dbraw/zinc/07/41/12/1035074112.db2.gz SKXCJYGQIJTNMN-VQIMIIECSA-N 1 2 355.482 2.869 20 30 FFEDLO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[N@H+](C)Cc1cc(C#N)ccc1F ZINC001139650580 1035190466 /nfs/dbraw/zinc/19/04/66/1035190466.db2.gz MVDFXHVJKKXXSD-IRXDYDNUSA-N 1 2 363.433 2.763 20 30 FFEDLO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001139650580 1035190470 /nfs/dbraw/zinc/19/04/70/1035190470.db2.gz MVDFXHVJKKXXSD-IRXDYDNUSA-N 1 2 363.433 2.763 20 30 FFEDLO N#Cc1cccc2c(C[NH+]3CCN(C(=O)c4ccc(O)cc4)CC3)c[nH]c21 ZINC001139706804 1035202785 /nfs/dbraw/zinc/20/27/85/1035202785.db2.gz IKXGLROBNKMKHS-UHFFFAOYSA-N 1 2 360.417 2.703 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC000834249862 1035343180 /nfs/dbraw/zinc/34/31/80/1035343180.db2.gz YFYKTMCQASJBEB-SFHVURJKSA-N 1 2 369.465 2.973 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC000834249862 1035343188 /nfs/dbraw/zinc/34/31/88/1035343188.db2.gz YFYKTMCQASJBEB-SFHVURJKSA-N 1 2 369.465 2.973 20 30 FFEDLO O=C1C=C2C[N@H+](Cc3ccc(N4CCOCC4)c(Cl)c3)CC[C@@H]2S1 ZINC001232196763 1035495069 /nfs/dbraw/zinc/49/50/69/1035495069.db2.gz LRGMVDGIZKKHQW-KRWDZBQOSA-N 1 2 364.898 2.951 20 30 FFEDLO O=C1C=C2C[N@@H+](Cc3ccc(N4CCOCC4)c(Cl)c3)CC[C@@H]2S1 ZINC001232196763 1035495072 /nfs/dbraw/zinc/49/50/72/1035495072.db2.gz LRGMVDGIZKKHQW-KRWDZBQOSA-N 1 2 364.898 2.951 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232260337 1035530567 /nfs/dbraw/zinc/53/05/67/1035530567.db2.gz VVHHGYKNBQZGRW-UHFFFAOYSA-N 1 2 363.845 2.746 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232260337 1035530576 /nfs/dbraw/zinc/53/05/76/1035530576.db2.gz VVHHGYKNBQZGRW-UHFFFAOYSA-N 1 2 363.845 2.746 20 30 FFEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1csc(NC(C)=O)n1)C2 ZINC001232284446 1035550702 /nfs/dbraw/zinc/55/07/02/1035550702.db2.gz MAMBMMJQBVJJSK-SJLPKXTDSA-N 1 2 365.499 2.675 20 30 FFEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1csc(NC(C)=O)n1)C2 ZINC001232284446 1035550714 /nfs/dbraw/zinc/55/07/14/1035550714.db2.gz MAMBMMJQBVJJSK-SJLPKXTDSA-N 1 2 365.499 2.675 20 30 FFEDLO COc1cc(C)nc(OC2CC[NH+](Cc3cc(F)c(C#N)c(F)c3)CC2)n1 ZINC001140755784 1036069527 /nfs/dbraw/zinc/06/95/27/1036069527.db2.gz SIGCCTQXICYHRQ-UHFFFAOYSA-N 1 2 374.391 2.987 20 30 FFEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1ccc(C#N)s1 ZINC001232843481 1036100283 /nfs/dbraw/zinc/10/02/83/1036100283.db2.gz YRGFUEBNXWYOEF-QGZVFWFLSA-N 1 2 357.483 2.633 20 30 FFEDLO O=C1C=CC(=O)c2c(O[C@H]3COCC[N@H+](Cc4ccccc4)C3)cccc21 ZINC001228472348 1036132000 /nfs/dbraw/zinc/13/20/00/1036132000.db2.gz HTTICBDPXRABDM-QGZVFWFLSA-N 1 2 363.413 2.902 20 30 FFEDLO O=C1C=CC(=O)c2c(O[C@H]3COCC[N@@H+](Cc4ccccc4)C3)cccc21 ZINC001228472348 1036132009 /nfs/dbraw/zinc/13/20/09/1036132009.db2.gz HTTICBDPXRABDM-QGZVFWFLSA-N 1 2 363.413 2.902 20 30 FFEDLO COc1ncnc2c1CC[N@H+](Cc1ccc(Br)c(C#N)c1)CC2 ZINC001232895630 1036137022 /nfs/dbraw/zinc/13/70/22/1036137022.db2.gz UDERQZUGNMMUKX-UHFFFAOYSA-N 1 2 373.254 2.720 20 30 FFEDLO COc1ncnc2c1CC[N@@H+](Cc1ccc(Br)c(C#N)c1)CC2 ZINC001232895630 1036137033 /nfs/dbraw/zinc/13/70/33/1036137033.db2.gz UDERQZUGNMMUKX-UHFFFAOYSA-N 1 2 373.254 2.720 20 30 FFEDLO CCCCCCCC[C@H](O)C[NH+]1CC2(C1)CN(CC=C(C)C)C(=O)CO2 ZINC001277735681 1036163842 /nfs/dbraw/zinc/16/38/42/1036163842.db2.gz WGGHADSWQFNGOF-IBGZPJMESA-N 1 2 366.546 2.977 20 30 FFEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1ccc(C)cc1C#N ZINC001232965334 1036193083 /nfs/dbraw/zinc/19/30/83/1036193083.db2.gz VZHTZHAHYHUQAO-HXUWFJFHSA-N 1 2 365.481 2.880 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)c2Cl)C[C@H]1O ZINC001140809934 1036204565 /nfs/dbraw/zinc/20/45/65/1036204565.db2.gz NNLNGGWUFVKULI-HUUCEWRRSA-N 1 2 365.861 2.672 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2Cl)C[C@H]1O ZINC001140809934 1036204569 /nfs/dbraw/zinc/20/45/69/1036204569.db2.gz NNLNGGWUFVKULI-HUUCEWRRSA-N 1 2 365.861 2.672 20 30 FFEDLO COC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(C#N)cc1C ZINC001233080865 1036331719 /nfs/dbraw/zinc/33/17/19/1036331719.db2.gz XZRHPTHSEBBEHY-GOSISDBHSA-N 1 2 359.470 2.934 20 30 FFEDLO COC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(C#N)cc1C ZINC001233080865 1036331735 /nfs/dbraw/zinc/33/17/35/1036331735.db2.gz XZRHPTHSEBBEHY-GOSISDBHSA-N 1 2 359.470 2.934 20 30 FFEDLO CN(C)c1ccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c(F)c1C#N ZINC001233096709 1036341886 /nfs/dbraw/zinc/34/18/86/1036341886.db2.gz KKZVSVYKSXLTCW-UHFFFAOYSA-N 1 2 354.429 2.791 20 30 FFEDLO N#CCCCN1CC[C@]2(CCC[N@@H+](Cc3ncc(Cl)cn3)CC2)C1=O ZINC001277338066 1036384631 /nfs/dbraw/zinc/38/46/31/1036384631.db2.gz IFJUGSZUVHOQMQ-GOSISDBHSA-N 1 2 361.877 2.638 20 30 FFEDLO N#CCCCN1CC[C@]2(CCC[N@H+](Cc3ncc(Cl)cn3)CC2)C1=O ZINC001277338066 1036384651 /nfs/dbraw/zinc/38/46/51/1036384651.db2.gz IFJUGSZUVHOQMQ-GOSISDBHSA-N 1 2 361.877 2.638 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000330136316 1036573548 /nfs/dbraw/zinc/57/35/48/1036573548.db2.gz NFEDJIWFGSSJRN-CWLKWCNXSA-N 1 2 360.502 2.792 20 30 FFEDLO CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccc(C#N)cc1O)CC2 ZINC001233384069 1036582901 /nfs/dbraw/zinc/58/29/01/1036582901.db2.gz FWMVMIYWXIIIFN-UHFFFAOYSA-N 1 2 366.465 2.965 20 30 FFEDLO CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccc(C#N)cc1O)CC2 ZINC001233384069 1036582909 /nfs/dbraw/zinc/58/29/09/1036582909.db2.gz FWMVMIYWXIIIFN-UHFFFAOYSA-N 1 2 366.465 2.965 20 30 FFEDLO CC[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cn3cc(C#N)ccc3n2)C1=O ZINC001277377436 1036618160 /nfs/dbraw/zinc/61/81/60/1036618160.db2.gz JYSZYOANFDEHOC-FOIQADDNSA-N 1 2 351.454 2.571 20 30 FFEDLO CC[C@@H](C)N1CC[C@]2(CCC[N@H+]2Cc2cn3cc(C#N)ccc3n2)C1=O ZINC001277377436 1036618164 /nfs/dbraw/zinc/61/81/64/1036618164.db2.gz JYSZYOANFDEHOC-FOIQADDNSA-N 1 2 351.454 2.571 20 30 FFEDLO C=C(C)CN1CC2(C[NH+](Cc3cccc4nccc(C)c34)C2)OCC1=O ZINC001277387226 1036673199 /nfs/dbraw/zinc/67/31/99/1036673199.db2.gz ONPNYIKKCADWFK-UHFFFAOYSA-N 1 2 351.450 2.533 20 30 FFEDLO C=CCN1C[C@]2(CC[N@H+](Cc3cc(Cl)c(Cl)cc3O)C2)OCC1=O ZINC001277829669 1036907266 /nfs/dbraw/zinc/90/72/66/1036907266.db2.gz GWWXGMIKZIICEE-QGZVFWFLSA-N 1 2 371.264 2.688 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1c[nH+]c(CCCC)[nH]1 ZINC001141069129 1036907921 /nfs/dbraw/zinc/90/79/21/1036907921.db2.gz VURPHDPATMREAX-QGZVFWFLSA-N 1 2 358.490 2.666 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1c[nH]c(CCCC)[nH+]1 ZINC001141069129 1036907926 /nfs/dbraw/zinc/90/79/26/1036907926.db2.gz VURPHDPATMREAX-QGZVFWFLSA-N 1 2 358.490 2.666 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccccc3)o2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001206949907 1036974075 /nfs/dbraw/zinc/97/40/75/1036974075.db2.gz UKDJDXYQPGYSCR-NVXWUHKLSA-N 1 2 366.465 2.723 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccccc3)o2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001206949907 1036974090 /nfs/dbraw/zinc/97/40/90/1036974090.db2.gz UKDJDXYQPGYSCR-NVXWUHKLSA-N 1 2 366.465 2.723 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2Cl)C[C@H]1C ZINC001206963403 1036992946 /nfs/dbraw/zinc/99/29/46/1036992946.db2.gz CUJNYXFMUARVMM-XJKCOSOUSA-N 1 2 369.292 2.968 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2Cl)C[C@H]1C ZINC001206963403 1036992954 /nfs/dbraw/zinc/99/29/54/1036992954.db2.gz CUJNYXFMUARVMM-XJKCOSOUSA-N 1 2 369.292 2.968 20 30 FFEDLO CC(C)=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(C#N)ccc1O)CC2 ZINC001277850649 1037009282 /nfs/dbraw/zinc/00/92/82/1037009282.db2.gz WZSMRFYOMBVHRP-SFHVURJKSA-N 1 2 353.466 2.948 20 30 FFEDLO C#C[C@H](Oc1nc(=O)[nH]c(CN2CCCC2=[NH2+])c1Cl)c1ccncc1 ZINC001230093082 1037083801 /nfs/dbraw/zinc/08/38/01/1037083801.db2.gz KLSRKJJCMARZNX-ZDUSSCGKSA-N 1 2 357.801 2.557 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)c(F)c2)C[C@H]1C ZINC001207200496 1037239972 /nfs/dbraw/zinc/23/99/72/1037239972.db2.gz JDGHSGHOORQTDN-CRAIPNDOSA-N 1 2 361.461 2.865 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)c(F)c2)C[C@H]1C ZINC001207200496 1037239982 /nfs/dbraw/zinc/23/99/82/1037239982.db2.gz JDGHSGHOORQTDN-CRAIPNDOSA-N 1 2 361.461 2.865 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccc(Oc3cccnc3)cc2)CC1 ZINC001235123665 1037374090 /nfs/dbraw/zinc/37/40/90/1037374090.db2.gz XEXOGJBDIMVGAV-UHFFFAOYSA-N 1 2 372.432 2.858 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2nc(Cl)nc3[nH]ncc32)C1 ZINC001231047297 1037447527 /nfs/dbraw/zinc/44/75/27/1037447527.db2.gz OKOGCRQHYPQQLJ-CYBMUJFWSA-N 1 2 354.801 2.531 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2nc(Cl)nc3[nH]ncc32)C1 ZINC001231047297 1037447530 /nfs/dbraw/zinc/44/75/30/1037447530.db2.gz OKOGCRQHYPQQLJ-CYBMUJFWSA-N 1 2 354.801 2.531 20 30 FFEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3ccc(F)c(F)c3Cl)C2)OCC1=O ZINC001277959425 1037662856 /nfs/dbraw/zinc/66/28/56/1037662856.db2.gz ZFXBROJGSKHKGZ-QGZVFWFLSA-N 1 2 356.800 2.608 20 30 FFEDLO C=CCN1C[C@]2(CC[N@H+](Cc3ccc(F)c(F)c3Cl)C2)OCC1=O ZINC001277959425 1037662863 /nfs/dbraw/zinc/66/28/63/1037662863.db2.gz ZFXBROJGSKHKGZ-QGZVFWFLSA-N 1 2 356.800 2.608 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(Cl)cc(C)n1)C2 ZINC001277531347 1037673327 /nfs/dbraw/zinc/67/33/27/1037673327.db2.gz NCMFRLKUYXKKDL-LJQANCHMSA-N 1 2 363.889 2.670 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(Cl)cc(C)n1)C2 ZINC001277531347 1037673333 /nfs/dbraw/zinc/67/33/33/1037673333.db2.gz NCMFRLKUYXKKDL-LJQANCHMSA-N 1 2 363.889 2.670 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cn(C)nc1C(F)(F)F ZINC001277573643 1037936109 /nfs/dbraw/zinc/93/61/09/1037936109.db2.gz LWGYTZLFSLDOEM-INIZCTEOSA-N 1 2 356.392 2.582 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cn(C)nc1C(F)(F)F ZINC001277573643 1037936121 /nfs/dbraw/zinc/93/61/21/1037936121.db2.gz LWGYTZLFSLDOEM-INIZCTEOSA-N 1 2 356.392 2.582 20 30 FFEDLO COCCOCN1CC2(C1)CCC[N@H+](Cc1ccc(Cl)cc1C#N)C2 ZINC001278871572 1038011110 /nfs/dbraw/zinc/01/11/10/1038011110.db2.gz PREFPOVMGQOVNT-UHFFFAOYSA-N 1 2 363.889 2.730 20 30 FFEDLO COCCOCN1CC2(C1)CCC[N@@H+](Cc1ccc(Cl)cc1C#N)C2 ZINC001278871572 1038011121 /nfs/dbraw/zinc/01/11/21/1038011121.db2.gz PREFPOVMGQOVNT-UHFFFAOYSA-N 1 2 363.889 2.730 20 30 FFEDLO N#Cc1cc(Cl)ccc1CN1CC2(C1)C[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001278871937 1038016067 /nfs/dbraw/zinc/01/60/67/1038016067.db2.gz XQHVTZOSRJKEKA-UHFFFAOYSA-N 1 2 354.841 2.630 20 30 FFEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(F)c(O)c1F)CC2 ZINC001277993275 1038174091 /nfs/dbraw/zinc/17/40/91/1038174091.db2.gz WQVHVMHDEFFZJN-AWEZNQCLSA-N 1 2 350.409 2.965 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)cc2C)C[C@H]1C ZINC001208317933 1038210277 /nfs/dbraw/zinc/21/02/77/1038210277.db2.gz BXZPIOAGKANPCO-SJLPKXTDSA-N 1 2 357.498 2.891 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)cc2C)C[C@H]1C ZINC001208317933 1038210288 /nfs/dbraw/zinc/21/02/88/1038210288.db2.gz BXZPIOAGKANPCO-SJLPKXTDSA-N 1 2 357.498 2.891 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc(OC)c1 ZINC001236757899 1038246071 /nfs/dbraw/zinc/24/60/71/1038246071.db2.gz TWFLAHLVXXMWJM-UHFFFAOYSA-N 1 2 365.433 2.676 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccccc3)no2)C[C@H]1C ZINC001208374494 1038263665 /nfs/dbraw/zinc/26/36/65/1038263665.db2.gz LABOKOXCZHVJDY-SJLPKXTDSA-N 1 2 366.465 2.867 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)no2)C[C@H]1C ZINC001208374494 1038263683 /nfs/dbraw/zinc/26/36/83/1038263683.db2.gz LABOKOXCZHVJDY-SJLPKXTDSA-N 1 2 366.465 2.867 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@](C)(C=C)CC)C2)c1 ZINC001208511607 1038374682 /nfs/dbraw/zinc/37/46/82/1038374682.db2.gz BCDDWUGVYMTZTE-ZWDAVXSWSA-N 1 2 367.493 2.645 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@](C)(C=C)CC)C2)c1 ZINC001208511607 1038374697 /nfs/dbraw/zinc/37/46/97/1038374697.db2.gz BCDDWUGVYMTZTE-ZWDAVXSWSA-N 1 2 367.493 2.645 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](CC(=O)Nc3ccc(O)cc3)C[C@H]2C)CC1 ZINC001208515357 1038375372 /nfs/dbraw/zinc/37/53/72/1038375372.db2.gz JATZYZDQIKYLQU-CRAIPNDOSA-N 1 2 371.481 2.514 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](CC(=O)Nc3ccc(O)cc3)C[C@H]2C)CC1 ZINC001208515357 1038375386 /nfs/dbraw/zinc/37/53/86/1038375386.db2.gz JATZYZDQIKYLQU-CRAIPNDOSA-N 1 2 371.481 2.514 20 30 FFEDLO COc1cc(O)c(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)c(Br)c1 ZINC001237064783 1038431415 /nfs/dbraw/zinc/43/14/15/1038431415.db2.gz JDYAGINCLXWTGM-CQSZACIVSA-N 1 2 370.268 2.937 20 30 FFEDLO COc1cc(O)c(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c(Br)c1 ZINC001237064783 1038431419 /nfs/dbraw/zinc/43/14/19/1038431419.db2.gz JDYAGINCLXWTGM-CQSZACIVSA-N 1 2 370.268 2.937 20 30 FFEDLO N#CCCCN1C[C@@]2(F)C[N@@H+](Cc3cccc4cc[nH]c43)C[C@@]2(F)C1=O ZINC001276575142 1038471714 /nfs/dbraw/zinc/47/17/14/1038471714.db2.gz DWYHQPFBKGXHHV-RBUKOAKNSA-N 1 2 358.392 2.546 20 30 FFEDLO N#CCCCN1C[C@@]2(F)C[N@H+](Cc3cccc4cc[nH]c43)C[C@@]2(F)C1=O ZINC001276575142 1038471715 /nfs/dbraw/zinc/47/17/15/1038471715.db2.gz DWYHQPFBKGXHHV-RBUKOAKNSA-N 1 2 358.392 2.546 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2CCCc1cccc(C#N)c1 ZINC001208852163 1038557406 /nfs/dbraw/zinc/55/74/06/1038557406.db2.gz VSNQOAXKPCMQSC-MOPGFXCFSA-N 1 2 371.481 2.811 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2CCCc1cccc(C#N)c1 ZINC001208852163 1038557416 /nfs/dbraw/zinc/55/74/16/1038557416.db2.gz VSNQOAXKPCMQSC-MOPGFXCFSA-N 1 2 371.481 2.811 20 30 FFEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257789065 1038977421 /nfs/dbraw/zinc/97/74/21/1038977421.db2.gz CWLUSZOAMGBTPM-GLJUWKHASA-N 1 2 372.531 2.617 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cccc(=O)[nH]2)cc1F ZINC001278638468 1039362051 /nfs/dbraw/zinc/36/20/51/1039362051.db2.gz YGGUEFXNIUYIFO-HDICACEKSA-N 1 2 352.413 2.647 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cccc(=O)[nH]2)cc1F ZINC001278638468 1039362066 /nfs/dbraw/zinc/36/20/66/1039362066.db2.gz YGGUEFXNIUYIFO-HDICACEKSA-N 1 2 352.413 2.647 20 30 FFEDLO CCCCN1CCC2(CC[NH+](CC(=O)c3cccc(C#N)c3)CC2)C1=O ZINC001276678043 1039369835 /nfs/dbraw/zinc/36/98/35/1039369835.db2.gz JNXPHYDFNJPQAX-UHFFFAOYSA-N 1 2 353.466 2.856 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1Cc1ccc(OC(F)(F)F)cc1Br ZINC001210120178 1039392534 /nfs/dbraw/zinc/39/25/34/1039392534.db2.gz ANIWOXGWLBIXMB-JTQLQIEISA-N 1 2 364.165 2.645 20 30 FFEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC001210471234 1039566551 /nfs/dbraw/zinc/56/65/51/1039566551.db2.gz PPGGEMYLZRHVID-UHFFFAOYSA-N 1 2 366.240 2.931 20 30 FFEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001210560525 1039608951 /nfs/dbraw/zinc/60/89/51/1039608951.db2.gz NVJUMDOGFBRYDM-QZTJIDSGSA-N 1 2 364.534 2.593 20 30 FFEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001210560525 1039608953 /nfs/dbraw/zinc/60/89/53/1039608953.db2.gz NVJUMDOGFBRYDM-QZTJIDSGSA-N 1 2 364.534 2.593 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COc2cccc(F)c2)C1 ZINC001210988942 1039879774 /nfs/dbraw/zinc/87/97/74/1039879774.db2.gz UNTISYKGNNIXAQ-IAQYHMDHSA-N 1 2 371.250 2.550 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COc2cccc(F)c2)C1 ZINC001210988942 1039879797 /nfs/dbraw/zinc/87/97/97/1039879797.db2.gz UNTISYKGNNIXAQ-IAQYHMDHSA-N 1 2 371.250 2.550 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(OC)no2)C[C@H]1C)c1ccccc1 ZINC001211200301 1039991973 /nfs/dbraw/zinc/99/19/73/1039991973.db2.gz SVQMMFRSOFVQNH-ATZDWAIDSA-N 1 2 369.465 2.980 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)no2)C[C@H]1C)c1ccccc1 ZINC001211200301 1039991989 /nfs/dbraw/zinc/99/19/89/1039991989.db2.gz SVQMMFRSOFVQNH-ATZDWAIDSA-N 1 2 369.465 2.980 20 30 FFEDLO Cc1nc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)c(C)o1 ZINC001211235020 1040021448 /nfs/dbraw/zinc/02/14/48/1040021448.db2.gz FDEKZTDJZJTVFA-DNVCBOLYSA-N 1 2 351.450 2.670 20 30 FFEDLO Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)c(C)o1 ZINC001211235020 1040021467 /nfs/dbraw/zinc/02/14/67/1040021467.db2.gz FDEKZTDJZJTVFA-DNVCBOLYSA-N 1 2 351.450 2.670 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1C ZINC001211425693 1040181606 /nfs/dbraw/zinc/18/16/06/1040181606.db2.gz PHVPTPDELQAZMX-JTDSTZFVSA-N 1 2 360.502 2.526 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1C ZINC001211425693 1040181618 /nfs/dbraw/zinc/18/16/18/1040181618.db2.gz PHVPTPDELQAZMX-JTDSTZFVSA-N 1 2 360.502 2.526 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1C ZINC001211428144 1040187482 /nfs/dbraw/zinc/18/74/82/1040187482.db2.gz WIQMKVZFYDOKDU-GPMSIDNRSA-N 1 2 369.465 2.869 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1C ZINC001211428144 1040187487 /nfs/dbraw/zinc/18/74/87/1040187487.db2.gz WIQMKVZFYDOKDU-GPMSIDNRSA-N 1 2 369.465 2.869 20 30 FFEDLO C=C[C@H](O)CNc1ccccc1C[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253600010 1040252903 /nfs/dbraw/zinc/25/29/03/1040252903.db2.gz VWAUJKICRZAFPU-KRWDZBQOSA-N 1 2 361.486 2.698 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)CC(C)=C(C)C ZINC001213282937 1040406715 /nfs/dbraw/zinc/40/67/15/1040406715.db2.gz KKPDIIKHDGYIMZ-RTBURBONSA-N 1 2 359.445 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)CC(C)=C(C)C ZINC001213282937 1040406727 /nfs/dbraw/zinc/40/67/27/1040406727.db2.gz KKPDIIKHDGYIMZ-RTBURBONSA-N 1 2 359.445 2.759 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)c(C)s2)C[C@H]1OC ZINC001213317232 1040440672 /nfs/dbraw/zinc/44/06/72/1040440672.db2.gz AWZRCUGQWADRCA-DAXOMENPSA-N 1 2 351.516 2.678 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2nc(C)c(C)s2)C[C@H]1OC ZINC001213317232 1040440683 /nfs/dbraw/zinc/44/06/83/1040440683.db2.gz AWZRCUGQWADRCA-DAXOMENPSA-N 1 2 351.516 2.678 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2oc(CCC)nc2C)C[C@H]1OC ZINC001213390274 1040504943 /nfs/dbraw/zinc/50/49/43/1040504943.db2.gz WDKCVQAWEQRERD-MDYRTPRTSA-N 1 2 363.502 2.853 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2oc(CCC)nc2C)C[C@H]1OC ZINC001213390274 1040504949 /nfs/dbraw/zinc/50/49/49/1040504949.db2.gz WDKCVQAWEQRERD-MDYRTPRTSA-N 1 2 363.502 2.853 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)CCCC(C)C ZINC001213478954 1040588605 /nfs/dbraw/zinc/58/86/05/1040588605.db2.gz DKFHHUFPMJAUDB-RTBURBONSA-N 1 2 361.461 2.839 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)CCCC(C)C ZINC001213478954 1040588617 /nfs/dbraw/zinc/58/86/17/1040588617.db2.gz DKFHHUFPMJAUDB-RTBURBONSA-N 1 2 361.461 2.839 20 30 FFEDLO C=C[C@@H]1C[C@@]1([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)OCC ZINC001254467471 1040735822 /nfs/dbraw/zinc/73/58/22/1040735822.db2.gz AQOJCGFFUZPKMW-KUHUBIRLSA-N 1 2 359.426 2.661 20 30 FFEDLO C#CC[N@@H+](C)Cc1nn([C@@H]2CCCCO2)c2cnc(Br)cc12 ZINC001249453928 1040775376 /nfs/dbraw/zinc/77/53/76/1040775376.db2.gz FQOSFZBHZAZEPI-INIZCTEOSA-N 1 2 363.259 2.958 20 30 FFEDLO C#CC[N@H+](C)Cc1nn([C@@H]2CCCCO2)c2cnc(Br)cc12 ZINC001249453928 1040775392 /nfs/dbraw/zinc/77/53/92/1040775392.db2.gz FQOSFZBHZAZEPI-INIZCTEOSA-N 1 2 363.259 2.958 20 30 FFEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccccc3Br)CC2)C1 ZINC001254673255 1040869932 /nfs/dbraw/zinc/86/99/32/1040869932.db2.gz HPBGJORARZARHX-KGLIPLIRSA-N 1 2 362.271 2.899 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([N@@H+]3CC[C@H]4SC(=O)C=C4C3)C[C@@H]2C1 ZINC001254905812 1041040093 /nfs/dbraw/zinc/04/00/93/1041040093.db2.gz UKVLSINYZCPYHE-OCVGTWLNSA-N 1 2 364.511 2.906 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([N@H+]3CC[C@H]4SC(=O)C=C4C3)C[C@@H]2C1 ZINC001254905812 1041040104 /nfs/dbraw/zinc/04/01/04/1041040104.db2.gz UKVLSINYZCPYHE-OCVGTWLNSA-N 1 2 364.511 2.906 20 30 FFEDLO Cn1cc(CN2CCC3(C[NH+](Cc4cc(Cl)ccc4O)C3)C2)cc1C#N ZINC001278568572 1041204066 /nfs/dbraw/zinc/20/40/66/1041204066.db2.gz AVSWNEXBZQLBME-UHFFFAOYSA-N 1 2 370.884 2.964 20 30 FFEDLO C=CCOC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCSC1 ZINC001255276936 1041247762 /nfs/dbraw/zinc/24/77/62/1041247762.db2.gz MXIGGPJLHNWKRK-CABCVRRESA-N 1 2 372.531 2.874 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCc2cc(Cl)nnc2C1 ZINC001262948141 1041982294 /nfs/dbraw/zinc/98/22/94/1041982294.db2.gz CERXFXOSAJVSTE-HNNXBMFYSA-N 1 2 373.892 2.627 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCc2cc(Cl)nnc2C1 ZINC001262948141 1041982301 /nfs/dbraw/zinc/98/23/01/1041982301.db2.gz CERXFXOSAJVSTE-HNNXBMFYSA-N 1 2 373.892 2.627 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H](OC2CCC2)C1 ZINC001262952213 1041985174 /nfs/dbraw/zinc/98/51/74/1041985174.db2.gz MVTGLJUQXMEUAN-GOSISDBHSA-N 1 2 359.518 2.988 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)C[C@@](C)(O)c1ccccc1 ZINC001262952620 1041985410 /nfs/dbraw/zinc/98/54/10/1041985410.db2.gz YBJWONIAPITTLJ-OAQYLSRUSA-N 1 2 369.513 2.794 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@@H](OC)C1 ZINC001262980896 1042006777 /nfs/dbraw/zinc/00/67/77/1042006777.db2.gz UTJMOXBJXVDPBS-IAGOWNOFSA-N 1 2 358.490 2.911 20 30 FFEDLO C=CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1)c1ccccc1 ZINC001216806163 1042127289 /nfs/dbraw/zinc/12/72/89/1042127289.db2.gz DRIZXHWSRRJGSZ-FHLIZLRMSA-N 1 2 356.495 2.835 20 30 FFEDLO C=CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C)o2)C1)c1ccccc1 ZINC001216806360 1042128538 /nfs/dbraw/zinc/12/85/38/1042128538.db2.gz LWCUBLRRGOATSW-FHLIZLRMSA-N 1 2 354.454 2.674 20 30 FFEDLO C=C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C)o2)C1)c1ccccc1 ZINC001216811291 1042130920 /nfs/dbraw/zinc/13/09/20/1042130920.db2.gz FCYJWKUEIQJLPN-QGPMSJSTSA-N 1 2 354.454 2.674 20 30 FFEDLO C#CC1CCN(c2nnc(Cc3[nH+]ccn3C)n2Cc2ccccc2)CC1 ZINC001263164068 1042143465 /nfs/dbraw/zinc/14/34/65/1042143465.db2.gz JLYZDPCNHJSAPW-UHFFFAOYSA-N 1 2 360.465 2.500 20 30 FFEDLO Cn1c[nH+]cc1CCCOC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC001263510602 1042349205 /nfs/dbraw/zinc/34/92/05/1042349205.db2.gz IQVATNWFORSMDO-UHFFFAOYSA-N 1 2 363.421 2.987 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2CCC[N@H+]2C)n1C[C@@H]1CCCCO1 ZINC001263587279 1042387847 /nfs/dbraw/zinc/38/78/47/1042387847.db2.gz YQKXLVMCKKBRBS-FGTMMUONSA-N 1 2 357.502 2.606 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2CCC[N@@H+]2C)n1C[C@@H]1CCCCO1 ZINC001263587279 1042387851 /nfs/dbraw/zinc/38/78/51/1042387851.db2.gz YQKXLVMCKKBRBS-FGTMMUONSA-N 1 2 357.502 2.606 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C(C)(C)C)[nH]3)CC[C@@H]2C1 ZINC001264094733 1042622463 /nfs/dbraw/zinc/62/24/63/1042622463.db2.gz RAAZMGRSJXZHEK-SJORKVTESA-N 1 2 371.529 2.576 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C(C)(C)C)[nH]3)CC[C@@H]2C1 ZINC001264094733 1042622464 /nfs/dbraw/zinc/62/24/64/1042622464.db2.gz RAAZMGRSJXZHEK-SJORKVTESA-N 1 2 371.529 2.576 20 30 FFEDLO C=CC1(CC(=O)N2C[C@@H]3C[N@H+](Cc4ncnn4C)CC[C@@H]3C2)CCCCC1 ZINC001264098766 1042624738 /nfs/dbraw/zinc/62/47/38/1042624738.db2.gz XEOZYRRXAZSVJB-MSOLQXFVSA-N 1 2 371.529 2.622 20 30 FFEDLO C=CC1(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ncnn4C)CC[C@@H]3C2)CCCCC1 ZINC001264098766 1042624740 /nfs/dbraw/zinc/62/47/40/1042624740.db2.gz XEOZYRRXAZSVJB-MSOLQXFVSA-N 1 2 371.529 2.622 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](CC(=O)Nc2cccc(F)c2)[C@@H]1C ZINC001264159150 1042643163 /nfs/dbraw/zinc/64/31/63/1042643163.db2.gz PAUCSOOAFJCIGL-CFLQYTFWSA-N 1 2 361.461 2.946 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2cccc(F)c2)[C@@H]1C ZINC001264159150 1042643166 /nfs/dbraw/zinc/64/31/66/1042643166.db2.gz PAUCSOOAFJCIGL-CFLQYTFWSA-N 1 2 361.461 2.946 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1CC[N@H+](Cc2ccn(C3CCCC3)n2)[C@@H]1C ZINC001264176620 1042655180 /nfs/dbraw/zinc/65/51/80/1042655180.db2.gz IZYDFSPOFLDDJU-APWZRJJASA-N 1 2 360.502 2.670 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1CC[N@@H+](Cc2ccn(C3CCCC3)n2)[C@@H]1C ZINC001264176620 1042655181 /nfs/dbraw/zinc/65/51/81/1042655181.db2.gz IZYDFSPOFLDDJU-APWZRJJASA-N 1 2 360.502 2.670 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@@H+]1Cc1ccn(C2CCCC2)n1 ZINC001264607827 1042740963 /nfs/dbraw/zinc/74/09/63/1042740963.db2.gz MZKSKNBOFMJMHF-VQTJNVASSA-N 1 2 354.498 2.881 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@H+]1Cc1ccn(C2CCCC2)n1 ZINC001264607827 1042740965 /nfs/dbraw/zinc/74/09/65/1042740965.db2.gz MZKSKNBOFMJMHF-VQTJNVASSA-N 1 2 354.498 2.881 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2cccc(F)c2)[C@@H]1C ZINC001264697150 1042784246 /nfs/dbraw/zinc/78/42/46/1042784246.db2.gz MNBWHCAUJLIGQN-QAPCUYQASA-N 1 2 359.445 2.537 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2cccc(F)c2)[C@@H]1C ZINC001264697150 1042784253 /nfs/dbraw/zinc/78/42/53/1042784253.db2.gz MNBWHCAUJLIGQN-QAPCUYQASA-N 1 2 359.445 2.537 20 30 FFEDLO Cn1cc(CN2CC3(C2)C[NH+](Cc2cccc(Cl)c2O)C3)cc1C#N ZINC001279441391 1043116148 /nfs/dbraw/zinc/11/61/48/1043116148.db2.gz AWBVYKSUCYVBBP-UHFFFAOYSA-N 1 2 356.857 2.574 20 30 FFEDLO CCCCCCC/C=C/C[N@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)N(C)C ZINC001279481203 1043165980 /nfs/dbraw/zinc/16/59/80/1043165980.db2.gz JJUHDTFFZLCXDL-BPRGGRAXSA-N 1 2 357.564 2.858 20 30 FFEDLO CCCCCCC/C=C/C[N@@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)N(C)C ZINC001279481203 1043165990 /nfs/dbraw/zinc/16/59/90/1043165990.db2.gz JJUHDTFFZLCXDL-BPRGGRAXSA-N 1 2 357.564 2.858 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(Cc4nc5ccccc5s4)C3)C2)cc1C#N ZINC001279635173 1043377421 /nfs/dbraw/zinc/37/74/21/1043377421.db2.gz QQTLZNYQUIJBBS-UHFFFAOYSA-N 1 2 363.490 2.824 20 30 FFEDLO COc1cc(-c2ccc[nH]2)[nH]c1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC001237882298 1043413665 /nfs/dbraw/zinc/41/36/65/1043413665.db2.gz MEDBGAFVEKJVBK-UHFFFAOYSA-N 1 2 362.437 2.607 20 30 FFEDLO CCn1ccnc1CN1CC[C@@]2(C1)CCC[N@H+](Cc1[nH]ccc1C#N)C2 ZINC001279688945 1043471738 /nfs/dbraw/zinc/47/17/38/1043471738.db2.gz WOSVOVDQHKUECP-FQEVSTJZSA-N 1 2 352.486 2.591 20 30 FFEDLO CCn1ccnc1CN1CC[C@@]2(C1)CCC[N@@H+](Cc1[nH]ccc1C#N)C2 ZINC001279688945 1043471747 /nfs/dbraw/zinc/47/17/47/1043471747.db2.gz WOSVOVDQHKUECP-FQEVSTJZSA-N 1 2 352.486 2.591 20 30 FFEDLO Cc1cc(C#N)ccc1C[NH+]1CC2(CCN2C(=O)Cc2ccsc2)C1 ZINC001279696600 1043485290 /nfs/dbraw/zinc/48/52/90/1043485290.db2.gz BMLTWCDPBCUNGO-UHFFFAOYSA-N 1 2 351.475 2.958 20 30 FFEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC2(C[C@@H]2C(=O)Nc2nnco2)CC1 ZINC001279740569 1043563475 /nfs/dbraw/zinc/56/34/75/1043563475.db2.gz YTBNXEMMZNINIQ-CQSZACIVSA-N 1 2 371.828 2.835 20 30 FFEDLO C=CC[NH+](CC=C)CCN1CCN(Cc2cc(Cl)c(O)cc2F)CC1 ZINC001238153337 1043572822 /nfs/dbraw/zinc/57/28/22/1043572822.db2.gz AXIODESDEKATKO-UHFFFAOYSA-N 1 2 367.896 2.976 20 30 FFEDLO C=CCN(CC[NH+]1CC2(CN(CCCC(F)(F)F)C2)C1)C(=O)OCC ZINC001278203202 1043607705 /nfs/dbraw/zinc/60/77/05/1043607705.db2.gz WVVRVKUDGRYXSF-UHFFFAOYSA-N 1 2 363.424 2.591 20 30 FFEDLO N#Cc1cc(N2CCC[C@]3(C2)C[N@H+](Cc2ccc[nH]2)CCO3)ccc1F ZINC001279772464 1043617664 /nfs/dbraw/zinc/61/76/64/1043617664.db2.gz RIEZMFKSEFEGKG-HXUWFJFHSA-N 1 2 354.429 2.897 20 30 FFEDLO N#Cc1cc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccc[nH]2)CCO3)ccc1F ZINC001279772464 1043617669 /nfs/dbraw/zinc/61/76/69/1043617669.db2.gz RIEZMFKSEFEGKG-HXUWFJFHSA-N 1 2 354.429 2.897 20 30 FFEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC001310196938 1043650117 /nfs/dbraw/zinc/65/01/17/1043650117.db2.gz YTCWIAPPYDOLGB-INIZCTEOSA-N 1 2 360.458 2.578 20 30 FFEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC001310196938 1043650125 /nfs/dbraw/zinc/65/01/25/1043650125.db2.gz YTCWIAPPYDOLGB-INIZCTEOSA-N 1 2 360.458 2.578 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)Cc2c1cnn2CC ZINC001238405354 1043689181 /nfs/dbraw/zinc/68/91/81/1043689181.db2.gz DLMONUWJUWCIPV-KRWDZBQOSA-N 1 2 354.454 2.919 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)Cc2c1cnn2CC ZINC001238405354 1043689187 /nfs/dbraw/zinc/68/91/87/1043689187.db2.gz DLMONUWJUWCIPV-KRWDZBQOSA-N 1 2 354.454 2.919 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)Cc2cn(CC)nc21 ZINC001238406603 1043691415 /nfs/dbraw/zinc/69/14/15/1043691415.db2.gz HXRDNYXRQGLQJQ-SFHVURJKSA-N 1 2 354.454 2.919 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)Cc2cn(CC)nc21 ZINC001238406603 1043691420 /nfs/dbraw/zinc/69/14/20/1043691420.db2.gz HXRDNYXRQGLQJQ-SFHVURJKSA-N 1 2 354.454 2.919 20 30 FFEDLO Cc1noc(NC(=O)[C@H]2CC23C[NH+](Cc2cc(F)cc(C#N)c2)C3)c1C ZINC001279818411 1043700590 /nfs/dbraw/zinc/70/05/90/1043700590.db2.gz MWTCFHJLBYEMDG-MRXNPFEDSA-N 1 2 354.385 2.763 20 30 FFEDLO CCCCCCC[N@@H+]1Cc2ccnn2CC[C@H]1C(=O)NC1(C#N)CCC1 ZINC001279864274 1043795220 /nfs/dbraw/zinc/79/52/20/1043795220.db2.gz ATELPQRHHJQWLX-SFHVURJKSA-N 1 2 357.502 2.990 20 30 FFEDLO CCCCCCC[N@H+]1Cc2ccnn2CC[C@H]1C(=O)NC1(C#N)CCC1 ZINC001279864274 1043795227 /nfs/dbraw/zinc/79/52/27/1043795227.db2.gz ATELPQRHHJQWLX-SFHVURJKSA-N 1 2 357.502 2.990 20 30 FFEDLO CCCCCCC[N@@H+]1CCc2c([nH]nc2C(=O)N[C@H](C)c2ncc[nH]2)C1 ZINC001279864863 1043796536 /nfs/dbraw/zinc/79/65/36/1043796536.db2.gz JZTUUZHRDUEFCY-CQSZACIVSA-N 1 2 358.490 2.952 20 30 FFEDLO CCCCCCC[N@H+]1CCc2c([nH]nc2C(=O)N[C@H](C)c2ncc[nH]2)C1 ZINC001279864863 1043796546 /nfs/dbraw/zinc/79/65/46/1043796546.db2.gz JZTUUZHRDUEFCY-CQSZACIVSA-N 1 2 358.490 2.952 20 30 FFEDLO C[C@@H](C[N@@H+]1CCc2cc(C(=O)N3CC(CC#N)C3)[nH]c2C1)C(F)(F)F ZINC001280065630 1044158709 /nfs/dbraw/zinc/15/87/09/1044158709.db2.gz BUTLFIXFDNVNCP-NSHDSACASA-N 1 2 354.376 2.557 20 30 FFEDLO C[C@@H](C[N@H+]1CCc2cc(C(=O)N3CC(CC#N)C3)[nH]c2C1)C(F)(F)F ZINC001280065630 1044158716 /nfs/dbraw/zinc/15/87/16/1044158716.db2.gz BUTLFIXFDNVNCP-NSHDSACASA-N 1 2 354.376 2.557 20 30 FFEDLO N#Cc1ccc(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)s1 ZINC001312820195 1044176157 /nfs/dbraw/zinc/17/61/57/1044176157.db2.gz JVYZFDIQCAVZIQ-UHFFFAOYSA-N 1 2 351.435 2.864 20 30 FFEDLO CC(C)(C)NC(=O)C[C@@H]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3C#N)C[C@@H]2O1 ZINC001280095804 1044199638 /nfs/dbraw/zinc/19/96/38/1044199638.db2.gz FEKVIEODLZWSAI-NJAFHUGGSA-N 1 2 359.445 2.591 20 30 FFEDLO CC(C)(C)NC(=O)C[C@@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3C#N)C[C@@H]2O1 ZINC001280095804 1044199642 /nfs/dbraw/zinc/19/96/42/1044199642.db2.gz FEKVIEODLZWSAI-NJAFHUGGSA-N 1 2 359.445 2.591 20 30 FFEDLO Cc1cc(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)ncc1Cl ZINC001280323991 1044606935 /nfs/dbraw/zinc/60/69/35/1044606935.db2.gz FLYWUZIEFRZZKZ-UHFFFAOYSA-N 1 2 355.873 2.571 20 30 FFEDLO CN(C)/C=[NH+]/c1ccc(-c2cccc(S(=O)(=O)NC3CC3)c2)cc1C#N ZINC001242041683 1044665091 /nfs/dbraw/zinc/66/50/91/1044665091.db2.gz WVVVQIXYFSMARX-FYJGNVAPSA-N 1 2 368.462 2.887 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1cc(C)no1)c1ccccc1 ZINC001317723669 1045126639 /nfs/dbraw/zinc/12/66/39/1045126639.db2.gz ICQLCXOFSBXVIT-ZCNNSNEGSA-N 1 2 369.465 2.911 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@H](C)c2nccs2)CC1 ZINC001539430480 1070636988 /nfs/dbraw/zinc/63/69/88/1070636988.db2.gz JJXNEYSMDFVPJH-CVEARBPZSA-N 1 2 372.542 2.807 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2CCCCC)CC1 ZINC001539454288 1070641617 /nfs/dbraw/zinc/64/16/17/1070641617.db2.gz LCOYCNCVFBCKPD-UHFFFAOYSA-N 1 2 372.542 2.579 20 30 FFEDLO Cc1oc(NC(=O)CN2CCC[C@@H]2CNc2cccc(C)[nH+]2)c(C#N)c1C ZINC001320050402 1045338141 /nfs/dbraw/zinc/33/81/41/1045338141.db2.gz FBMNTAINWOVKAN-MRXNPFEDSA-N 1 2 367.453 2.987 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1CC[C@@H](c2ccccc2)C1=O ZINC001323531307 1045626921 /nfs/dbraw/zinc/62/69/21/1045626921.db2.gz XIVLMJOYWMRBMY-NRFANRHFSA-N 1 2 363.461 2.980 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1CC[C@@H](c2ccccc2)C1=O ZINC001323531307 1045626928 /nfs/dbraw/zinc/62/69/28/1045626928.db2.gz XIVLMJOYWMRBMY-NRFANRHFSA-N 1 2 363.461 2.980 20 30 FFEDLO N#Cc1cccc(NC(=O)CC[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001321729222 1045775385 /nfs/dbraw/zinc/77/53/85/1045775385.db2.gz LQTYWFZEXSQZMB-UHFFFAOYSA-N 1 2 366.377 2.558 20 30 FFEDLO C#CCN(CC1CC1)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC001324247946 1045936672 /nfs/dbraw/zinc/93/66/72/1045936672.db2.gz SMYMWOCRWLTCMV-UHFFFAOYSA-N 1 2 354.498 2.776 20 30 FFEDLO C=CCC(CC=C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001282727921 1046133323 /nfs/dbraw/zinc/13/33/23/1046133323.db2.gz COYKLUJSGLDUIX-AITUJVMLSA-N 1 2 370.497 2.851 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001282732023 1046139186 /nfs/dbraw/zinc/13/91/86/1046139186.db2.gz XFHNZLVVHKMCPG-AXUOBQJMSA-N 1 2 370.497 2.605 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001282732023 1046139191 /nfs/dbraw/zinc/13/91/91/1046139191.db2.gz XFHNZLVVHKMCPG-AXUOBQJMSA-N 1 2 370.497 2.605 20 30 FFEDLO C=CC1(CC(=O)NCCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001283286890 1046359932 /nfs/dbraw/zinc/35/99/32/1046359932.db2.gz IATFAVZIVKTZDN-HZPDHXFCSA-N 1 2 358.486 2.662 20 30 FFEDLO C=CC1(CC(=O)NCCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001283286890 1046359947 /nfs/dbraw/zinc/35/99/47/1046359947.db2.gz IATFAVZIVKTZDN-HZPDHXFCSA-N 1 2 358.486 2.662 20 30 FFEDLO C#CCCCCCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001284405981 1046531692 /nfs/dbraw/zinc/53/16/92/1046531692.db2.gz AZNSREDQPDHBKW-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO C#CCCCCCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001284405981 1046531701 /nfs/dbraw/zinc/53/17/01/1046531701.db2.gz AZNSREDQPDHBKW-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(CC2CC2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001286305791 1047072661 /nfs/dbraw/zinc/07/26/61/1047072661.db2.gz VNVXFRRXVUMZDM-KRWDZBQOSA-N 1 2 374.492 2.982 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CCC4(CCC4)CO3)CC2)cc1 ZINC001540370844 1070864531 /nfs/dbraw/zinc/86/45/31/1070864531.db2.gz HTWKCHYKLNFLKE-HXUWFJFHSA-N 1 2 367.493 2.942 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)C(F)(F)F)CC1 ZINC001286469301 1047119532 /nfs/dbraw/zinc/11/95/32/1047119532.db2.gz DBXQMCBTMJYKAS-UHFFFAOYSA-N 1 2 371.451 2.919 20 30 FFEDLO C=C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001286645859 1047147668 /nfs/dbraw/zinc/14/76/68/1047147668.db2.gz IEJFNVOIJWARKN-INIZCTEOSA-N 1 2 369.469 2.780 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@H]21 ZINC001288955764 1047537725 /nfs/dbraw/zinc/53/77/25/1047537725.db2.gz RXQVRANUGHUCBK-NZSAHSFTSA-N 1 2 370.497 2.662 20 30 FFEDLO COc1cc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c(F)cc1C#N ZINC001331717888 1048079300 /nfs/dbraw/zinc/07/93/00/1048079300.db2.gz TZEPGNUPRJXRID-CYBMUJFWSA-N 1 2 371.416 2.926 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001290566422 1048219701 /nfs/dbraw/zinc/21/97/01/1048219701.db2.gz PNLJZXZKOFDTKQ-KZNAEPCWSA-N 1 2 370.497 2.594 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001290566422 1048219713 /nfs/dbraw/zinc/21/97/13/1048219713.db2.gz PNLJZXZKOFDTKQ-KZNAEPCWSA-N 1 2 370.497 2.594 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@H]3CCC[C@@H](C(F)(F)F)O3)CC2)cn1 ZINC001333050034 1048689820 /nfs/dbraw/zinc/68/98/20/1048689820.db2.gz LSLQGGMQEMSHPU-CVEARBPZSA-N 1 2 354.376 2.575 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC001333420160 1048895842 /nfs/dbraw/zinc/89/58/42/1048895842.db2.gz GWJMMYXLQDPWPO-CTNGQTDRSA-N 1 2 350.418 2.756 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC001333420160 1048895855 /nfs/dbraw/zinc/89/58/55/1048895855.db2.gz GWJMMYXLQDPWPO-CTNGQTDRSA-N 1 2 350.418 2.756 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001341837929 1050449737 /nfs/dbraw/zinc/44/97/37/1050449737.db2.gz HLJHIKXFORINAM-VPMQLGLMSA-N 1 2 373.545 2.781 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001341837929 1050449741 /nfs/dbraw/zinc/44/97/41/1050449741.db2.gz HLJHIKXFORINAM-VPMQLGLMSA-N 1 2 373.545 2.781 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC2(CCC2)C1 ZINC001340194693 1050602675 /nfs/dbraw/zinc/60/26/75/1050602675.db2.gz CRZYYWSVAZUQPE-SJORKVTESA-N 1 2 357.502 2.770 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC2(CCC2)C1 ZINC001340194693 1050602680 /nfs/dbraw/zinc/60/26/80/1050602680.db2.gz CRZYYWSVAZUQPE-SJORKVTESA-N 1 2 357.502 2.770 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC2(CCC2)C1 ZINC001340194690 1050602839 /nfs/dbraw/zinc/60/28/39/1050602839.db2.gz CRZYYWSVAZUQPE-DLBZAZTESA-N 1 2 357.502 2.770 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC2(CCC2)C1 ZINC001340194690 1050602845 /nfs/dbraw/zinc/60/28/45/1050602845.db2.gz CRZYYWSVAZUQPE-DLBZAZTESA-N 1 2 357.502 2.770 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001340194670 1050603226 /nfs/dbraw/zinc/60/32/26/1050603226.db2.gz CIGBHWUOIXWHMR-XDNAFOTISA-N 1 2 357.502 2.626 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001340194670 1050603231 /nfs/dbraw/zinc/60/32/31/1050603231.db2.gz CIGBHWUOIXWHMR-XDNAFOTISA-N 1 2 357.502 2.626 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(Cc1ccc(F)cc1)C(C)C ZINC001340376572 1050769767 /nfs/dbraw/zinc/76/97/67/1050769767.db2.gz WFSZGACNKLJGTM-ROUUACIJSA-N 1 2 373.476 2.756 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(Cc1ccc(F)cc1)C(C)C ZINC001340376572 1050769773 /nfs/dbraw/zinc/76/97/73/1050769773.db2.gz WFSZGACNKLJGTM-ROUUACIJSA-N 1 2 373.476 2.756 20 30 FFEDLO C=C(C)COCCn1c(C(C)C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001300971688 1050782569 /nfs/dbraw/zinc/78/25/69/1050782569.db2.gz FGIYFSFJZZTRIB-UHFFFAOYSA-N 1 2 370.501 2.716 20 30 FFEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H](O)c3ccc(C#N)cc3)n2)C1 ZINC001542203683 1071188719 /nfs/dbraw/zinc/18/87/19/1071188719.db2.gz OTXFJRNUKUFYGC-GUYCJALGSA-N 1 2 370.478 2.919 20 30 FFEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H](O)c3ccc(C#N)cc3)n2)C1 ZINC001542203683 1071188723 /nfs/dbraw/zinc/18/87/23/1071188723.db2.gz OTXFJRNUKUFYGC-GUYCJALGSA-N 1 2 370.478 2.919 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@@H](C#N)C1 ZINC001342343704 1050938016 /nfs/dbraw/zinc/93/80/16/1050938016.db2.gz LKGLLAPCEKLAIW-BZSNNMDCSA-N 1 2 370.501 2.520 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@@H](C#N)C1 ZINC001342343704 1050938024 /nfs/dbraw/zinc/93/80/24/1050938024.db2.gz LKGLLAPCEKLAIW-BZSNNMDCSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@@H](Cc2ccccc2)C1 ZINC001342414650 1051009755 /nfs/dbraw/zinc/00/97/55/1051009755.db2.gz DYJMUXZUGJUJPT-SFHVURJKSA-N 1 2 362.481 2.857 20 30 FFEDLO C=CCn1c(N(C)c2cccc(C)c2C)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001340703095 1051067400 /nfs/dbraw/zinc/06/74/00/1051067400.db2.gz UVYNABSOHXNWLW-OXJNMPFZSA-N 1 2 355.486 2.760 20 30 FFEDLO C=CCn1c(N(C)c2cccc(C)c2C)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001340703095 1051067409 /nfs/dbraw/zinc/06/74/09/1051067409.db2.gz UVYNABSOHXNWLW-OXJNMPFZSA-N 1 2 355.486 2.760 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(Cc2[nH+]ccn2Cc2ccccc2)n1CC=C ZINC001340733234 1051090947 /nfs/dbraw/zinc/09/09/47/1051090947.db2.gz PAHQYUPUOFCWGP-QGZVFWFLSA-N 1 2 360.465 2.758 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](CC)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001342521776 1051125383 /nfs/dbraw/zinc/12/53/83/1051125383.db2.gz IDYRNUDNIDVADN-SQGPQFPESA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](CC)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001342521776 1051125385 /nfs/dbraw/zinc/12/53/85/1051125385.db2.gz IDYRNUDNIDVADN-SQGPQFPESA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@](OC)(C(F)(F)F)C1 ZINC001342673648 1051283802 /nfs/dbraw/zinc/28/38/02/1051283802.db2.gz LFTILQAMWUHNLK-BBRMVZONSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@](OC)(C(F)(F)F)C1 ZINC001342673648 1051283813 /nfs/dbraw/zinc/28/38/13/1051283813.db2.gz LFTILQAMWUHNLK-BBRMVZONSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001342797626 1051407852 /nfs/dbraw/zinc/40/78/52/1051407852.db2.gz CZZBHEUSSGWHHK-SJORKVTESA-N 1 2 361.534 2.541 20 30 FFEDLO C=CCN(C)c1nnc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1Cc1ccccc1 ZINC001341115949 1051464400 /nfs/dbraw/zinc/46/44/00/1051464400.db2.gz ZTGCXTDAQDVNFM-MOPGFXCFSA-N 1 2 367.497 2.874 20 30 FFEDLO C=CCN(C)c1nnc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)n1Cc1ccccc1 ZINC001341115949 1051464405 /nfs/dbraw/zinc/46/44/05/1051464405.db2.gz ZTGCXTDAQDVNFM-MOPGFXCFSA-N 1 2 367.497 2.874 20 30 FFEDLO Cc1cc(Br)c(N2CC[NH+](CCCCO)CC2)c(C#N)c1 ZINC001342898325 1051508241 /nfs/dbraw/zinc/50/82/41/1051508241.db2.gz QTFTUPMJOSAINK-UHFFFAOYSA-N 1 2 352.276 2.524 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc([C@@H]2CCCC[N@@H+]2C)n1CCCOCC ZINC001343117225 1051735993 /nfs/dbraw/zinc/73/59/93/1051735993.db2.gz ARURVOJCXALROQ-ROUUACIJSA-N 1 2 359.518 2.854 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc([C@@H]2CCCC[N@H+]2C)n1CCCOCC ZINC001343117225 1051736004 /nfs/dbraw/zinc/73/60/04/1051736004.db2.gz ARURVOJCXALROQ-ROUUACIJSA-N 1 2 359.518 2.854 20 30 FFEDLO C=CCN(C)c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1C[C@@H]1CCCO1 ZINC001343163917 1051787462 /nfs/dbraw/zinc/78/74/62/1051787462.db2.gz BPKWRQLMCMLLQN-DLBZAZTESA-N 1 2 358.490 2.911 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H](C2CCC2)C1 ZINC001341441523 1051797979 /nfs/dbraw/zinc/79/79/79/1051797979.db2.gz WTZFKXSZULRALO-GOSISDBHSA-N 1 2 356.518 2.925 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(Cc1cnn(C)c1)CC(C)C ZINC001343297219 1052143521 /nfs/dbraw/zinc/14/35/21/1052143521.db2.gz BJJUPAKMVZHJBM-UHFFFAOYSA-N 1 2 371.533 2.846 20 30 FFEDLO C=C(C)Cn1c(Nc2cccc(OC)c2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001343402752 1052208751 /nfs/dbraw/zinc/20/87/51/1052208751.db2.gz BVRATZFBXGCSFP-DNVCBOLYSA-N 1 2 357.458 2.518 20 30 FFEDLO C=C(C)Cn1c(Nc2cccc(OC)c2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001343402752 1052208759 /nfs/dbraw/zinc/20/87/59/1052208759.db2.gz BVRATZFBXGCSFP-DNVCBOLYSA-N 1 2 357.458 2.518 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@@H](c2ccn(C)n2)C1 ZINC001343460015 1052245957 /nfs/dbraw/zinc/24/59/57/1052245957.db2.gz TUYQZWISBNJKDB-SJLPKXTDSA-N 1 2 369.517 2.738 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@@H](c2ccn(C)n2)C1 ZINC001343460015 1052245966 /nfs/dbraw/zinc/24/59/66/1052245966.db2.gz TUYQZWISBNJKDB-SJLPKXTDSA-N 1 2 369.517 2.738 20 30 FFEDLO C=CCN(CC=C)c1nnc(Cc2[nH+]ccn2C)n1Cc1cccs1 ZINC001343549346 1052298995 /nfs/dbraw/zinc/29/89/95/1052298995.db2.gz TWLCNNPONMPHQD-UHFFFAOYSA-N 1 2 354.483 2.891 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC001343935996 1052498736 /nfs/dbraw/zinc/49/87/36/1052498736.db2.gz NCISMAOUXMBNFG-WMZOPIPTSA-N 1 2 359.518 2.844 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCOCC2(CCC2)C1 ZINC001343936101 1052498779 /nfs/dbraw/zinc/49/87/79/1052498779.db2.gz QPZZXEVLGFYMBF-UHFFFAOYSA-N 1 2 359.518 2.847 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001344122786 1052609843 /nfs/dbraw/zinc/60/98/43/1052609843.db2.gz CTVSYABBOLDMLI-FXAWDEMLSA-N 1 2 374.533 2.846 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001344122786 1052609846 /nfs/dbraw/zinc/60/98/46/1052609846.db2.gz CTVSYABBOLDMLI-FXAWDEMLSA-N 1 2 374.533 2.846 20 30 FFEDLO C=C1CCN(c2nnc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)n2CC2CC2)CC1 ZINC001346811184 1053333517 /nfs/dbraw/zinc/33/35/17/1053333517.db2.gz ZSGBNGAMSNIABB-ZWKOTPCHSA-N 1 2 357.502 2.770 20 30 FFEDLO C=C1CCN(c2nnc([C@H]3C[N@H+]4CCCC[C@H]4CO3)n2CC2CC2)CC1 ZINC001346811184 1053333530 /nfs/dbraw/zinc/33/35/30/1053333530.db2.gz ZSGBNGAMSNIABB-ZWKOTPCHSA-N 1 2 357.502 2.770 20 30 FFEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001335439509 1053365634 /nfs/dbraw/zinc/36/56/34/1053365634.db2.gz FVMQQBGFAOXAIG-LEWJYISDSA-N 1 2 360.461 2.947 20 30 FFEDLO N#Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c(F)c1 ZINC001347257065 1053767647 /nfs/dbraw/zinc/76/76/47/1053767647.db2.gz MURLFYHWGRWCEC-UHFFFAOYSA-N 1 2 356.426 2.576 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001347948272 1054491330 /nfs/dbraw/zinc/49/13/30/1054491330.db2.gz DHPJYKRZFNUHEV-GOSISDBHSA-N 1 2 365.495 2.536 20 30 FFEDLO CN(C)c1[nH+]ccc2c1CN(c1nc(Br)ccc1C#N)CC2 ZINC001348498083 1054744474 /nfs/dbraw/zinc/74/44/74/1054744474.db2.gz SIRIIKZVXKKRDB-UHFFFAOYSA-N 1 2 358.243 2.739 20 30 FFEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)c(Br)c3)CC2)on1 ZINC001337763953 1055002212 /nfs/dbraw/zinc/00/22/12/1055002212.db2.gz LGLSDRWTFUJMSL-UHFFFAOYSA-N 1 2 361.243 2.939 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC(OC)CC1 ZINC001351981309 1055099101 /nfs/dbraw/zinc/09/91/01/1055099101.db2.gz NBBRWJZVWNHCSC-QGZVFWFLSA-N 1 2 358.490 2.911 20 30 FFEDLO C=CCn1c([C@H](O)/C=C/CC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001351981923 1055099822 /nfs/dbraw/zinc/09/98/22/1055099822.db2.gz VKWZVQGDLZPOEZ-ZGRWHYIRSA-N 1 2 368.485 2.940 20 30 FFEDLO C#CC1CCN(c2nnc([C@H]3CCCC[N@H+]3C)n2Cc2cc(C)on2)CC1 ZINC001352105403 1055195097 /nfs/dbraw/zinc/19/50/97/1055195097.db2.gz VBZDWKDETJFVAY-GOSISDBHSA-N 1 2 368.485 2.629 20 30 FFEDLO C#CC1CCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2Cc2cc(C)on2)CC1 ZINC001352105403 1055195101 /nfs/dbraw/zinc/19/51/01/1055195101.db2.gz VBZDWKDETJFVAY-GOSISDBHSA-N 1 2 368.485 2.629 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC(=C)C)C1 ZINC001356210325 1055388388 /nfs/dbraw/zinc/38/83/88/1055388388.db2.gz JAWGFVNGKPRRMM-GOSISDBHSA-N 1 2 366.513 2.797 20 30 FFEDLO C#C[C@@H]1CCCN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000847326298 1055503614 /nfs/dbraw/zinc/50/36/14/1055503614.db2.gz NZUALVONQXELFQ-QGZVFWFLSA-N 1 2 354.498 2.776 20 30 FFEDLO C#CCOc1ccc(F)cc1NC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001350041483 1055593874 /nfs/dbraw/zinc/59/38/74/1055593874.db2.gz OWPYDAUCNAPDCK-UHFFFAOYSA-N 1 2 356.401 2.983 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001338895583 1055912536 /nfs/dbraw/zinc/91/25/36/1055912536.db2.gz KLWKFSPZNXZQEW-FUHWJXTLSA-N 1 2 369.517 2.738 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001338895583 1055912538 /nfs/dbraw/zinc/91/25/38/1055912538.db2.gz KLWKFSPZNXZQEW-FUHWJXTLSA-N 1 2 369.517 2.738 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc([C@H]2C[C@@H](O)C[N@H+]2C)n1CC=C ZINC001338895738 1055912571 /nfs/dbraw/zinc/91/25/71/1055912571.db2.gz RCCSFHGOCJCLNT-SJLPKXTDSA-N 1 2 371.460 2.533 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc([C@H]2C[C@@H](O)C[N@@H+]2C)n1CC=C ZINC001338895738 1055912579 /nfs/dbraw/zinc/91/25/79/1055912579.db2.gz RCCSFHGOCJCLNT-SJLPKXTDSA-N 1 2 371.460 2.533 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@H](c2nccs2)C1 ZINC001338926743 1055940524 /nfs/dbraw/zinc/94/05/24/1055940524.db2.gz ICYCZCSOGBAOMS-HNNXBMFYSA-N 1 2 358.515 2.900 20 30 FFEDLO C=CCC1(O)CCN(c2nnc([C@H](C)[N@H+](C)Cc3ccccc3)n2C)CC1 ZINC001338940100 1055950157 /nfs/dbraw/zinc/95/01/57/1055950157.db2.gz HCFHMCCNMTWEAM-KRWDZBQOSA-N 1 2 369.513 2.916 20 30 FFEDLO C=CCC1(O)CCN(c2nnc([C@H](C)[N@@H+](C)Cc3ccccc3)n2C)CC1 ZINC001338940100 1055950167 /nfs/dbraw/zinc/95/01/67/1055950167.db2.gz HCFHMCCNMTWEAM-KRWDZBQOSA-N 1 2 369.513 2.916 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@@](F)(c2ccccc2)C1 ZINC001339091558 1056082905 /nfs/dbraw/zinc/08/29/05/1056082905.db2.gz XKZWXGYIQBNFDB-FQEVSTJZSA-N 1 2 366.444 2.864 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@@H](c2nnc(N(C)[C@@H](C)c3cccc(C#N)c3)n2C)C1 ZINC001351229066 1056145483 /nfs/dbraw/zinc/14/54/83/1056145483.db2.gz WBZNWLSBXGFMDB-MAUKXSAKSA-N 1 2 368.485 2.666 20 30 FFEDLO CC(C)[N@H+]1CCO[C@@H](c2nnc(N(C)[C@@H](C)c3cccc(C#N)c3)n2C)C1 ZINC001351229066 1056145485 /nfs/dbraw/zinc/14/54/85/1056145485.db2.gz WBZNWLSBXGFMDB-MAUKXSAKSA-N 1 2 368.485 2.666 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3oc4ccccc4c3C)n2CC=C)CC1 ZINC001339488592 1056505433 /nfs/dbraw/zinc/50/54/33/1056505433.db2.gz SZWGHADTBXFDBC-UHFFFAOYSA-N 1 2 361.449 2.941 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001339499734 1056518615 /nfs/dbraw/zinc/51/86/15/1056518615.db2.gz LWVZJOVYFLSSMC-ZWKOTPCHSA-N 1 2 372.517 2.539 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(CCO)CCc1ccccc1 ZINC001339529391 1056551327 /nfs/dbraw/zinc/55/13/27/1056551327.db2.gz SNHMSPZKHLVDBL-IBGZPJMESA-N 1 2 369.513 2.662 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(CCO)CCc1ccccc1 ZINC001339529391 1056551342 /nfs/dbraw/zinc/55/13/42/1056551342.db2.gz SNHMSPZKHLVDBL-IBGZPJMESA-N 1 2 369.513 2.662 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CC[C@H](OCC)C(C)C)CC1 ZINC001359029177 1056665585 /nfs/dbraw/zinc/66/55/85/1056665585.db2.gz QUIBPHOTANCHJM-SFHVURJKSA-N 1 2 361.534 2.608 20 30 FFEDLO Cn1cc([C@@H]2[C@@H](C/[NH+]=C/c3ccccc3O)CC(=O)N2C(C)(C)C)cn1 ZINC000849171083 1056788674 /nfs/dbraw/zinc/78/86/74/1056788674.db2.gz RLAKRXMXEPQLMD-YMHCHUIFSA-N 1 2 354.454 2.933 20 30 FFEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)[C@@H]2C[C@@H]2C#N)cc1 ZINC001443668990 1058229226 /nfs/dbraw/zinc/22/92/26/1058229226.db2.gz BUHITPNKLQNEQU-IEBWSBKVSA-N 1 2 352.438 2.860 20 30 FFEDLO C#CCCC[C@@H](C)OC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000847867319 1058289416 /nfs/dbraw/zinc/28/94/16/1058289416.db2.gz YMEZGSFMBKCNFO-GPMSIDNRSA-N 1 2 359.470 2.845 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1C1CCC1)C1CC[NH+](Cc2coc(C)n2)CC1 ZINC001500051435 1058432214 /nfs/dbraw/zinc/43/22/14/1058432214.db2.gz FLZHIOLHFGEHQK-VQTJNVASSA-N 1 2 355.482 2.845 20 30 FFEDLO Cc1cc(Cn2c([C@H]3CCC[N@H+]3C)nnc2N(CCC#N)CC2CC2)no1 ZINC001519910725 1059189450 /nfs/dbraw/zinc/18/94/50/1059189450.db2.gz DHIDGLMMIHXOAR-QGZVFWFLSA-N 1 2 369.473 2.520 20 30 FFEDLO Cc1cc(Cn2c([C@H]3CCC[N@@H+]3C)nnc2N(CCC#N)CC2CC2)no1 ZINC001519910725 1059189455 /nfs/dbraw/zinc/18/94/55/1059189455.db2.gz DHIDGLMMIHXOAR-QGZVFWFLSA-N 1 2 369.473 2.520 20 30 FFEDLO C=CC1CCN(c2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2C)CC1 ZINC001519957350 1059245381 /nfs/dbraw/zinc/24/53/81/1059245381.db2.gz QBTDEQNDWSQKCS-IBGZPJMESA-N 1 2 367.497 2.791 20 30 FFEDLO C=CC1CCN(c2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2C)CC1 ZINC001519957350 1059245398 /nfs/dbraw/zinc/24/53/98/1059245398.db2.gz QBTDEQNDWSQKCS-IBGZPJMESA-N 1 2 367.497 2.791 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@]2(CCSC2)C1 ZINC001515041930 1059252514 /nfs/dbraw/zinc/25/25/14/1059252514.db2.gz HGMACDOOCAQQIO-LJQANCHMSA-N 1 2 372.542 2.902 20 30 FFEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001452825364 1059303475 /nfs/dbraw/zinc/30/34/75/1059303475.db2.gz KVKTVYUWBMZCOC-IYOUNJFTSA-N 1 2 369.469 2.815 20 30 FFEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001452825364 1059303495 /nfs/dbraw/zinc/30/34/95/1059303495.db2.gz KVKTVYUWBMZCOC-IYOUNJFTSA-N 1 2 369.469 2.815 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CCC2CC(OCC)C2)CC1 ZINC001300682427 1059316667 /nfs/dbraw/zinc/31/66/67/1059316667.db2.gz LLLLNFCBOYXAHH-UHFFFAOYSA-N 1 2 373.545 2.536 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C)n2[C@H]2C[C@H](c3ccccc3F)C2)CC1 ZINC001300685009 1059323809 /nfs/dbraw/zinc/32/38/09/1059323809.db2.gz DIIAKOZYDQXSTC-QAQDUYKDSA-N 1 2 353.445 2.600 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001515119706 1059353667 /nfs/dbraw/zinc/35/36/67/1059353667.db2.gz HUBPJXXINDITDH-JKSUJKDBSA-N 1 2 368.481 2.951 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CC2(CCC)CC2)CC1 ZINC001300697941 1059392362 /nfs/dbraw/zinc/39/23/62/1059392362.db2.gz LKAKDLSXDLBDDM-GOSISDBHSA-N 1 2 371.529 2.855 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CC2(OC)CCC(C)CC2)CC1 ZINC001300698646 1059397461 /nfs/dbraw/zinc/39/74/61/1059397461.db2.gz XBTQVGCSRRWERD-UHFFFAOYSA-N 1 2 371.529 2.506 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCCC(F)(F)C1 ZINC001520243822 1059528460 /nfs/dbraw/zinc/52/84/60/1059528460.db2.gz DDZHNVFEWWHTEW-GJZGRUSLSA-N 1 2 367.444 2.625 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCCC(F)(F)C1 ZINC001520243822 1059528469 /nfs/dbraw/zinc/52/84/69/1059528469.db2.gz DDZHNVFEWWHTEW-GJZGRUSLSA-N 1 2 367.444 2.625 20 30 FFEDLO C=CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001515339516 1059577220 /nfs/dbraw/zinc/57/72/20/1059577220.db2.gz LLQCKCXAOJAWMV-YYIAUSFCSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001515339516 1059577241 /nfs/dbraw/zinc/57/72/41/1059577241.db2.gz LLQCKCXAOJAWMV-YYIAUSFCSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCC[C@H]1CCCN1c1nnc(C[NH+]2CCC(CO)CC2)n1CC(=C)C ZINC001515555448 1059698828 /nfs/dbraw/zinc/69/88/28/1059698828.db2.gz POMDZXPUHSWPGX-IBGZPJMESA-N 1 2 373.545 2.994 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCOC1 ZINC001515899352 1059873095 /nfs/dbraw/zinc/87/30/95/1059873095.db2.gz WYHZIBHQBZUTKI-DLBZAZTESA-N 1 2 372.517 2.601 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCOC1 ZINC001515899352 1059873119 /nfs/dbraw/zinc/87/31/19/1059873119.db2.gz WYHZIBHQBZUTKI-DLBZAZTESA-N 1 2 372.517 2.601 20 30 FFEDLO CCn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N(C)C[C@@H](C)C#N ZINC001520758223 1060040556 /nfs/dbraw/zinc/04/05/56/1060040556.db2.gz VYMNEBUSJMLURO-INIZCTEOSA-N 1 2 363.469 2.729 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001520844534 1060136753 /nfs/dbraw/zinc/13/67/53/1060136753.db2.gz DFRCHFUYVLYABQ-HDICACEKSA-N 1 2 354.502 2.793 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC001511337019 1060332380 /nfs/dbraw/zinc/33/23/80/1060332380.db2.gz ZPLIPYASTMQTBK-BZSOYRFXSA-N 1 2 370.497 2.520 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](Cn1c(C)nnc1N1CCC[C@@](C)(C#N)C1)CCC2 ZINC001511423804 1060343940 /nfs/dbraw/zinc/34/39/40/1060343940.db2.gz PONFZTGGQLSWKK-LPHOPBHVSA-N 1 2 353.474 2.799 20 30 FFEDLO C=CCCn1cc(COC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)nn1 ZINC000848724299 1060552074 /nfs/dbraw/zinc/55/20/74/1060552074.db2.gz IJNNYXHGFQULCR-IBGZPJMESA-N 1 2 354.454 2.952 20 30 FFEDLO C=CCCn1cc(COC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)nn1 ZINC000848724299 1060552089 /nfs/dbraw/zinc/55/20/89/1060552089.db2.gz IJNNYXHGFQULCR-IBGZPJMESA-N 1 2 354.454 2.952 20 30 FFEDLO C=C1CC(C)(C(=O)N(C)C[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001512507204 1060586529 /nfs/dbraw/zinc/58/65/29/1060586529.db2.gz XNNAJOBASCZHAQ-BRWVUGGUSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C1CC(C)(C(=O)N(C)C[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001512507204 1060586543 /nfs/dbraw/zinc/58/65/43/1060586543.db2.gz XNNAJOBASCZHAQ-BRWVUGGUSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CC[C@@H]1N(c2nnc([C@@H]3C[C@H](O)C[N@H+]3C)n2CC=C)CCCC1(C)C ZINC001355920634 1060729368 /nfs/dbraw/zinc/72/93/68/1060729368.db2.gz URERLVLEWUTZHR-ULQDDVLXSA-N 1 2 359.518 2.773 20 30 FFEDLO C=CC[C@@H]1N(c2nnc([C@@H]3C[C@H](O)C[N@@H+]3C)n2CC=C)CCCC1(C)C ZINC001355920634 1060729382 /nfs/dbraw/zinc/72/93/82/1060729382.db2.gz URERLVLEWUTZHR-ULQDDVLXSA-N 1 2 359.518 2.773 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC(C)(C)CC(C)(C)C1 ZINC001355920667 1060729616 /nfs/dbraw/zinc/72/96/16/1060729616.db2.gz VCJLXJZXHKITTI-JKSUJKDBSA-N 1 2 361.534 2.854 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC(C)(C)CC(C)(C)C1 ZINC001355920667 1060729628 /nfs/dbraw/zinc/72/96/28/1060729628.db2.gz VCJLXJZXHKITTI-JKSUJKDBSA-N 1 2 361.534 2.854 20 30 FFEDLO C=CC[C@@H]1N(c2nnc([C@@H]3C[C@@H](O)C[N@H+]3C)n2CC=C)CCCC1(C)C ZINC001355920633 1060730277 /nfs/dbraw/zinc/73/02/77/1060730277.db2.gz URERLVLEWUTZHR-IKGGRYGDSA-N 1 2 359.518 2.773 20 30 FFEDLO C=CC[C@@H]1N(c2nnc([C@@H]3C[C@@H](O)C[N@@H+]3C)n2CC=C)CCCC1(C)C ZINC001355920633 1060730291 /nfs/dbraw/zinc/73/02/91/1060730291.db2.gz URERLVLEWUTZHR-IKGGRYGDSA-N 1 2 359.518 2.773 20 30 FFEDLO C=CCN(CCOC)c1nnc(C2CC2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001359281169 1060826894 /nfs/dbraw/zinc/82/68/94/1060826894.db2.gz QICJSWFJMSGEHV-QGZVFWFLSA-N 1 2 370.501 2.877 20 30 FFEDLO N#Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2-n2cc[nH+]c2)cc1Cl ZINC001460254808 1060929782 /nfs/dbraw/zinc/92/97/82/1060929782.db2.gz PEYLGMGAOPPVFZ-UHFFFAOYSA-N 1 2 365.780 2.749 20 30 FFEDLO C[C@H]1CCN(S(=O)(=O)c2cccc(C#N)c2Cl)C[C@@H]1n1cc[nH+]c1 ZINC001475089644 1060940022 /nfs/dbraw/zinc/94/00/22/1060940022.db2.gz YVWPQFPAYFSQPN-JSGCOSHPSA-N 1 2 364.858 2.680 20 30 FFEDLO C=CCO[C@@H]1CCN(c2nnc(C3CC3)n2CCCNc2cccc[nH+]2)C1 ZINC001359320803 1060945322 /nfs/dbraw/zinc/94/53/22/1060945322.db2.gz VTQIXQYSUUNLFP-QGZVFWFLSA-N 1 2 368.485 2.834 20 30 FFEDLO C#Cc1ccc(CNC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1 ZINC001526402899 1061116438 /nfs/dbraw/zinc/11/64/38/1061116438.db2.gz CKJIXLHAWBQOEA-UHFFFAOYSA-N 1 2 372.428 2.823 20 30 FFEDLO CC(C)C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC001475717031 1061229458 /nfs/dbraw/zinc/22/94/58/1061229458.db2.gz LZCVIOUWCCKLLA-HNNXBMFYSA-N 1 2 369.918 2.757 20 30 FFEDLO CC(C)C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC001475717031 1061229477 /nfs/dbraw/zinc/22/94/77/1061229477.db2.gz LZCVIOUWCCKLLA-HNNXBMFYSA-N 1 2 369.918 2.757 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2CC2CC2)C1 ZINC001527093736 1061387035 /nfs/dbraw/zinc/38/70/35/1061387035.db2.gz LMNKINXRFWRVRY-GOSISDBHSA-N 1 2 372.517 2.600 20 30 FFEDLO CC(C)[N@H+]1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2CC2CC2)C1 ZINC001527093736 1061387053 /nfs/dbraw/zinc/38/70/53/1061387053.db2.gz LMNKINXRFWRVRY-GOSISDBHSA-N 1 2 372.517 2.600 20 30 FFEDLO C#CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1)C(=O)OC ZINC001462332302 1061585051 /nfs/dbraw/zinc/58/50/51/1061585051.db2.gz IPWGTFPZCOFNGL-GJZGRUSLSA-N 1 2 352.475 2.567 20 30 FFEDLO C[C@@H]1CCN(C(=O)CC#Cc2ccccc2)[C@H](C[NH2+]Cc2cnsn2)C1 ZINC001479586026 1062587380 /nfs/dbraw/zinc/58/73/80/1062587380.db2.gz OWMVXGUCGRKPJS-APWZRJJASA-N 1 2 368.506 2.697 20 30 FFEDLO C=CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cnon3)CC[C@@H]2C1)c1ccccc1 ZINC001479674696 1062797516 /nfs/dbraw/zinc/79/75/16/1062797516.db2.gz NIQJQOYXYGKQRL-HBFSDRIKSA-N 1 2 366.465 2.710 20 30 FFEDLO C=CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3cnon3)CC[C@@H]2C1)c1ccccc1 ZINC001479674696 1062797533 /nfs/dbraw/zinc/79/75/33/1062797533.db2.gz NIQJQOYXYGKQRL-HBFSDRIKSA-N 1 2 366.465 2.710 20 30 FFEDLO N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3Cc4c[nH+]cn4C3)cn2)c1 ZINC001465223497 1063017121 /nfs/dbraw/zinc/01/71/21/1063017121.db2.gz UVVBKGSCLAXWFK-OAHLLOKOSA-N 1 2 360.377 2.688 20 30 FFEDLO C=C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001465781962 1063212860 /nfs/dbraw/zinc/21/28/60/1063212860.db2.gz LHQWPMSTEPHWJP-ROUUACIJSA-N 1 2 373.497 2.624 20 30 FFEDLO C=C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001465781962 1063212875 /nfs/dbraw/zinc/21/28/75/1063212875.db2.gz LHQWPMSTEPHWJP-ROUUACIJSA-N 1 2 373.497 2.624 20 30 FFEDLO N#Cc1c(F)cc(CNC(=O)c2cc(-n3cc[nH+]c3)ccc2O)cc1F ZINC001467383407 1063730184 /nfs/dbraw/zinc/73/01/84/1063730184.db2.gz WTMOJZLGYMZIPL-UHFFFAOYSA-N 1 2 354.316 2.658 20 30 FFEDLO C#CC[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC001574986105 1078097985 /nfs/dbraw/zinc/09/79/85/1078097985.db2.gz RTIJLCORDRGHCQ-MRXNPFEDSA-N 1 2 359.518 2.693 20 30 FFEDLO C#Cc1ccc(C(=O)N(Cc2cnn[nH]2)C2CC[NH+](CC(C)C)CC2)cc1 ZINC001575021516 1078098440 /nfs/dbraw/zinc/09/84/40/1078098440.db2.gz GYYNTEBRXGIKAJ-UHFFFAOYSA-N 1 2 365.481 2.549 20 30 FFEDLO C=CCCC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)c2csnc2C)CC1 ZINC001575093096 1078105456 /nfs/dbraw/zinc/10/54/56/1078105456.db2.gz FGJGOTSHAAUWNU-UHFFFAOYSA-N 1 2 374.514 2.643 20 30 FFEDLO C=CCC[C@H](C)[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)c2cc(F)c[nH]2)CC1 ZINC001575088018 1078105507 /nfs/dbraw/zinc/10/55/07/1078105507.db2.gz SOOUMTIGIYSLKZ-AWEZNQCLSA-N 1 2 374.464 2.733 20 30 FFEDLO C#CC[N@@H+](Cc1ccc(S(N)(=O)=O)cc1F)[C@@H]1CCc2ccccc21 ZINC001474386588 1065509258 /nfs/dbraw/zinc/50/92/58/1065509258.db2.gz FJMQFXRGUZHFDI-LJQANCHMSA-N 1 2 358.438 2.596 20 30 FFEDLO C#CC[N@H+](Cc1ccc(S(N)(=O)=O)cc1F)[C@@H]1CCc2ccccc21 ZINC001474386588 1065509266 /nfs/dbraw/zinc/50/92/66/1065509266.db2.gz FJMQFXRGUZHFDI-LJQANCHMSA-N 1 2 358.438 2.596 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3ccc4c(c3)C[C@H](C)O4)CC2)c1C#N ZINC001474554654 1065548207 /nfs/dbraw/zinc/54/82/07/1065548207.db2.gz MMXCSLWZILTRFC-ZDUSSCGKSA-N 1 2 354.479 2.969 20 30 FFEDLO C#CCCCCCC(=O)N(CC)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001582356438 1079042647 /nfs/dbraw/zinc/04/26/47/1079042647.db2.gz XSIDLYUGQIDYRR-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO C#CCCCCCC(=O)N(CC)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001582356438 1079042650 /nfs/dbraw/zinc/04/26/50/1079042650.db2.gz XSIDLYUGQIDYRR-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO COc1cccc([C@H]2CN(C(=O)c3[nH]c4ccccc4c3C#N)CC[NH2+]2)c1 ZINC001557820845 1075895231 /nfs/dbraw/zinc/89/52/31/1075895231.db2.gz FIGBDBMUFWZLTA-LJQANCHMSA-N 1 2 360.417 2.835 20 30 FFEDLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)C[C@H](O)COc1ccccc1C#N ZINC001559513631 1076168299 /nfs/dbraw/zinc/16/82/99/1076168299.db2.gz WUZJPBSOOKQPMB-FQEVSTJZSA-N 1 2 362.433 2.616 20 30 FFEDLO C[N@H+](Cc1ccn(-c2ccccc2)n1)C[C@H](O)COc1ccccc1C#N ZINC001559513631 1076168300 /nfs/dbraw/zinc/16/83/00/1076168300.db2.gz WUZJPBSOOKQPMB-FQEVSTJZSA-N 1 2 362.433 2.616 20 30 FFEDLO C=CCCC(C)(C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC001565143571 1076689620 /nfs/dbraw/zinc/68/96/20/1076689620.db2.gz OHJHOJYXQGSIGF-IBGZPJMESA-N 1 2 358.530 2.847 20 30 FFEDLO C=CCCC(C)(C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC001565143571 1076689621 /nfs/dbraw/zinc/68/96/21/1076689621.db2.gz OHJHOJYXQGSIGF-IBGZPJMESA-N 1 2 358.530 2.847 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1c1ccccc1 ZINC001565883788 1076779261 /nfs/dbraw/zinc/77/92/61/1076779261.db2.gz ZUZOKMWRWWCKAZ-FFZOFVMBSA-N 1 2 367.497 2.502 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1c1ccccc1 ZINC001565883788 1076779267 /nfs/dbraw/zinc/77/92/67/1076779267.db2.gz ZUZOKMWRWWCKAZ-FFZOFVMBSA-N 1 2 367.497 2.502 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2c2ccccc2)CCCCC1 ZINC001565885321 1076780576 /nfs/dbraw/zinc/78/05/76/1076780576.db2.gz WOQORFQVMGGEFE-RBUKOAKNSA-N 1 2 369.509 2.583 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2c2ccccc2)CCCCC1 ZINC001565885321 1076780578 /nfs/dbraw/zinc/78/05/78/1076780578.db2.gz WOQORFQVMGGEFE-RBUKOAKNSA-N 1 2 369.509 2.583 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cccc2)[C@H]1C ZINC001566109508 1076913911 /nfs/dbraw/zinc/91/39/11/1076913911.db2.gz PBNNCLABPIIRJR-ZNMIVQPWSA-N 1 2 354.292 2.927 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cccc2)[C@H]1C ZINC001566109508 1076913913 /nfs/dbraw/zinc/91/39/13/1076913913.db2.gz PBNNCLABPIIRJR-ZNMIVQPWSA-N 1 2 354.292 2.927 20 30 FFEDLO C=CCC(CC=C)C(=O)NCC1=CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001572586741 1077340183 /nfs/dbraw/zinc/34/01/83/1077340183.db2.gz FTIGQSVIOKRGMU-QZTJIDSGSA-N 1 2 368.481 2.557 20 30 FFEDLO C=CCC(CC=C)C(=O)NCC1=CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001572586741 1077340186 /nfs/dbraw/zinc/34/01/86/1077340186.db2.gz FTIGQSVIOKRGMU-QZTJIDSGSA-N 1 2 368.481 2.557 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001573185138 1077571901 /nfs/dbraw/zinc/57/19/01/1077571901.db2.gz RXULGEPTEKPECT-JKSUJKDBSA-N 1 2 354.454 2.705 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC001573235967 1077619876 /nfs/dbraw/zinc/61/98/76/1077619876.db2.gz JPEDJQPCQAXRIJ-SJORKVTESA-N 1 2 360.502 2.619 20 30 FFEDLO C=CCCC(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001573243477 1077628660 /nfs/dbraw/zinc/62/86/60/1077628660.db2.gz VNGXYGURXIGXRG-CRAIPNDOSA-N 1 2 360.502 2.750 20 30 FFEDLO C=C(C)CCC(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001573245813 1077631796 /nfs/dbraw/zinc/63/17/96/1077631796.db2.gz LOKWPBGWBOGWRM-QZTJIDSGSA-N 1 2 360.502 2.763 20 30 FFEDLO C=C(C)CCC(=O)NC[C@]12CCC[C@H]1N(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001574099840 1077897799 /nfs/dbraw/zinc/89/77/99/1077897799.db2.gz MPHOWFYRQMRKSH-OXQOHEQNSA-N 1 2 358.486 2.586 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CCCCCSC)CC1 ZINC001588741426 1080177680 /nfs/dbraw/zinc/17/76/80/1080177680.db2.gz CDSWSYNFFGPLGQ-UHFFFAOYSA-N 1 2 363.575 2.864 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2CCCSC)CC1 ZINC001588790918 1080197707 /nfs/dbraw/zinc/19/77/07/1080197707.db2.gz GZVMKAHPINBEHV-UHFFFAOYSA-N 1 2 373.501 2.593 20 30 FFEDLO CC(=O)c1ccc(C#N)c(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c1 ZINC000272532621 252061847 /nfs/dbraw/zinc/06/18/47/252061847.db2.gz PDGOYINPYWYSNX-AWEZNQCLSA-N 1 2 350.422 2.993 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370897782 512123326 /nfs/dbraw/zinc/12/33/26/512123326.db2.gz JJVCUKAXMHFOQS-MRXNPFEDSA-N 1 2 374.872 2.627 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370897782 512123328 /nfs/dbraw/zinc/12/33/28/512123328.db2.gz JJVCUKAXMHFOQS-MRXNPFEDSA-N 1 2 374.872 2.627 20 30 FFEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000276515367 256106426 /nfs/dbraw/zinc/10/64/26/256106426.db2.gz RXDLRZYUKXZBQP-KRWDZBQOSA-N 1 2 373.501 2.689 20 30 FFEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000276515367 256106428 /nfs/dbraw/zinc/10/64/28/256106428.db2.gz RXDLRZYUKXZBQP-KRWDZBQOSA-N 1 2 373.501 2.689 20 30 FFEDLO N#Cc1ccccc1OCC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278979568 256368633 /nfs/dbraw/zinc/36/86/33/256368633.db2.gz PQXXCBMZJFYMFZ-UHFFFAOYSA-N 1 2 364.449 2.876 20 30 FFEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1cc(C#N)ccc1Br ZINC000286176407 257024339 /nfs/dbraw/zinc/02/43/39/257024339.db2.gz WZRCJXOHZMJUBT-BBRMVZONSA-N 1 2 364.287 2.616 20 30 FFEDLO N#Cc1c(NCc2ccc[nH+]c2N2CCOCC2)nc2cc(Cl)ccn21 ZINC000286268730 257028710 /nfs/dbraw/zinc/02/87/10/257028710.db2.gz WHPCPXMDYWBTAK-UHFFFAOYSA-N 1 2 368.828 2.703 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H](C(=O)NCCCNc3cccc[nH+]3)C2)c(F)c1 ZINC000286307966 257030371 /nfs/dbraw/zinc/03/03/71/257030371.db2.gz PKYKRNDIVUTFCZ-MRXNPFEDSA-N 1 2 367.428 2.537 20 30 FFEDLO N#Cc1ccccc1CSCCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000287215257 257077908 /nfs/dbraw/zinc/07/79/08/257077908.db2.gz RHDVQAROKPQXIN-UHFFFAOYSA-N 1 2 367.465 2.885 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000287895865 257127752 /nfs/dbraw/zinc/12/77/52/257127752.db2.gz UMLBNZYCNBSKEA-ZDUSSCGKSA-N 1 2 360.259 2.824 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000287895865 257127753 /nfs/dbraw/zinc/12/77/53/257127753.db2.gz UMLBNZYCNBSKEA-ZDUSSCGKSA-N 1 2 360.259 2.824 20 30 FFEDLO CC(C)[C@@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1[nH]cc[nH+]1 ZINC000288313321 257173819 /nfs/dbraw/zinc/17/38/19/257173819.db2.gz ZEOBWUOIDRUFLS-WMLDXEAASA-N 1 2 355.417 2.760 20 30 FFEDLO N#Cc1ccc(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)c([N+](=O)[O-])c1 ZINC000301120778 258026891 /nfs/dbraw/zinc/02/68/91/258026891.db2.gz MFSYEJQFLRLLQO-UHFFFAOYSA-N 1 2 365.393 2.912 20 30 FFEDLO CCc1nn(C)c(Cl)c1C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000301401490 258047268 /nfs/dbraw/zinc/04/72/68/258047268.db2.gz IYUVXFVCOUHIJZ-UHFFFAOYSA-N 1 2 361.852 2.969 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](CC(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000301877980 258072268 /nfs/dbraw/zinc/07/22/68/258072268.db2.gz YVPKKVCOUXDJLQ-UHFFFAOYSA-N 1 2 354.841 2.972 20 30 FFEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000331439569 258186357 /nfs/dbraw/zinc/18/63/57/258186357.db2.gz VGFMWQYVSURQHH-OAHLLOKOSA-N 1 2 372.469 2.525 20 30 FFEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000331439569 258186358 /nfs/dbraw/zinc/18/63/58/258186358.db2.gz VGFMWQYVSURQHH-OAHLLOKOSA-N 1 2 372.469 2.525 20 30 FFEDLO C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000332573191 258235838 /nfs/dbraw/zinc/23/58/38/258235838.db2.gz ZQPQJUYROVULMT-OAHLLOKOSA-N 1 2 360.889 2.735 20 30 FFEDLO Cc1noc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000052862479 506268447 /nfs/dbraw/zinc/26/84/47/506268447.db2.gz PQTXVMSAMYJXEN-RISCZKNCSA-N 1 2 357.414 2.666 20 30 FFEDLO Cc1noc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000052862479 506268454 /nfs/dbraw/zinc/26/84/54/506268454.db2.gz PQTXVMSAMYJXEN-RISCZKNCSA-N 1 2 357.414 2.666 20 30 FFEDLO C=CC[C@]1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCCN1C(=O)OC(C)(C)C ZINC000368977405 512165609 /nfs/dbraw/zinc/16/56/09/512165609.db2.gz GFKKNTAOZOGWQU-VBKZILBWSA-N 1 2 374.485 2.729 20 30 FFEDLO C=CC[C@]1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCCN1C(=O)OC(C)(C)C ZINC000368977405 512165612 /nfs/dbraw/zinc/16/56/12/512165612.db2.gz GFKKNTAOZOGWQU-VBKZILBWSA-N 1 2 374.485 2.729 20 30 FFEDLO N#Cc1cccc(OC2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CC2)c1 ZINC000369008677 512180609 /nfs/dbraw/zinc/18/06/09/512180609.db2.gz AVGLUXLGOHYLRN-UHFFFAOYSA-N 1 2 373.416 2.823 20 30 FFEDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3ccc(F)cc3C#N)CC2)C1 ZINC000066566476 506557297 /nfs/dbraw/zinc/55/72/97/506557297.db2.gz AIPSVFJCWCUNIM-JXFKEZNVSA-N 1 2 372.488 2.510 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000369214575 512285825 /nfs/dbraw/zinc/28/58/25/512285825.db2.gz KTFBQMDATLYUJH-UHFFFAOYSA-N 1 2 360.461 2.918 20 30 FFEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000042939116 506680604 /nfs/dbraw/zinc/68/06/04/506680604.db2.gz ITQJUHIQIHWXBC-FQEVSTJZSA-N 1 2 364.449 2.705 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CSCc1ccc(C#N)cc1)CCC2 ZINC000371257787 512293185 /nfs/dbraw/zinc/29/31/85/512293185.db2.gz ZKKNQMKVKNZBAD-KRWDZBQOSA-N 1 2 354.479 2.990 20 30 FFEDLO N#Cc1cccc(Oc2ccc(NC(=O)NCC[NH+]3CCOCC3)cc2)c1 ZINC000066953413 506710012 /nfs/dbraw/zinc/71/00/12/506710012.db2.gz BCTKFDOJAMWOIJ-UHFFFAOYSA-N 1 2 366.421 2.804 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000055815939 506858339 /nfs/dbraw/zinc/85/83/39/506858339.db2.gz XNNVFEXHODVGEQ-MRXNPFEDSA-N 1 2 365.433 2.796 20 30 FFEDLO COc1ccc(C[N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)c(OC)c1 ZINC000015041786 507014380 /nfs/dbraw/zinc/01/43/80/507014380.db2.gz BYRJJGDJBBYPKK-UHFFFAOYSA-N 1 2 359.470 2.820 20 30 FFEDLO COc1ccc(C[N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)c(OC)c1 ZINC000015041786 507014389 /nfs/dbraw/zinc/01/43/89/507014389.db2.gz BYRJJGDJBBYPKK-UHFFFAOYSA-N 1 2 359.470 2.820 20 30 FFEDLO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000016391810 507086348 /nfs/dbraw/zinc/08/63/48/507086348.db2.gz HNVKLYFURGNKSZ-UHFFFAOYSA-N 1 2 366.421 2.793 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000018175762 507142144 /nfs/dbraw/zinc/14/21/44/507142144.db2.gz DLNSZKAFKHBXOX-UHFFFAOYSA-N 1 2 365.393 2.816 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)/C=C/c3cccc(C#N)c3)c[nH+]2)CCO1 ZINC000046720510 507181448 /nfs/dbraw/zinc/18/14/48/507181448.db2.gz VXHRXXLANRUVGY-IQIBNGDESA-N 1 2 362.433 2.508 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000046784711 507194464 /nfs/dbraw/zinc/19/44/64/507194464.db2.gz YLFGPUKCTCGTOR-UHFFFAOYSA-N 1 2 364.405 2.690 20 30 FFEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000046834559 507205705 /nfs/dbraw/zinc/20/57/05/507205705.db2.gz WRCVMYCPTWJVES-KRWDZBQOSA-N 1 2 353.809 2.976 20 30 FFEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000046834559 507205708 /nfs/dbraw/zinc/20/57/08/507205708.db2.gz WRCVMYCPTWJVES-KRWDZBQOSA-N 1 2 353.809 2.976 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2csc(-c3ccc(OC)cc3)n2)CC1 ZINC000068445609 507235645 /nfs/dbraw/zinc/23/56/45/507235645.db2.gz WBAMJEZRUFZUBO-UHFFFAOYSA-N 1 2 355.463 2.600 20 30 FFEDLO Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000367082449 512330098 /nfs/dbraw/zinc/33/00/98/512330098.db2.gz WLNRFNQGOBRWBX-TZIWHRDSSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000367082449 512330101 /nfs/dbraw/zinc/33/01/01/512330101.db2.gz WLNRFNQGOBRWBX-TZIWHRDSSA-N 1 2 352.434 2.680 20 30 FFEDLO C=CCc1cc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc(OC)c1OC ZINC000367087694 512331864 /nfs/dbraw/zinc/33/18/64/512331864.db2.gz YWYSGAHDWQJLRQ-SFHVURJKSA-N 1 2 367.449 2.614 20 30 FFEDLO N#CCCCCS(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000068896295 507352492 /nfs/dbraw/zinc/35/24/92/507352492.db2.gz VJOULBBVMCVTAP-UHFFFAOYSA-N 1 2 371.453 2.542 20 30 FFEDLO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000025940673 507546751 /nfs/dbraw/zinc/54/67/51/507546751.db2.gz PHUKAHFZPRIIQW-UHFFFAOYSA-N 1 2 359.433 2.748 20 30 FFEDLO Cc1ccc(SCCC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000060634029 507570581 /nfs/dbraw/zinc/57/05/81/507570581.db2.gz LQQRPVPPEPYSBM-UHFFFAOYSA-N 1 2 361.511 2.552 20 30 FFEDLO N#Cc1ccc(CSCC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000061404955 507612726 /nfs/dbraw/zinc/61/27/26/507612726.db2.gz MGRAFESQXXSWJQ-UHFFFAOYSA-N 1 2 363.446 2.689 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000070791011 507638161 /nfs/dbraw/zinc/63/81/61/507638161.db2.gz WZMYKQFYHRQKHB-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO COc1ccc(C#N)cc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000050092167 507660093 /nfs/dbraw/zinc/66/00/93/507660093.db2.gz DEPDGISYYVOAFS-UHFFFAOYSA-N 1 2 351.410 2.752 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000029156825 507765552 /nfs/dbraw/zinc/76/55/52/507765552.db2.gz UQOGALGWSDOTEW-MRXNPFEDSA-N 1 2 360.527 2.597 20 30 FFEDLO CCc1ccc(C(=O)N2CC[NH+](CCOc3cccc(C#N)c3)CC2)cc1 ZINC000051405585 507768899 /nfs/dbraw/zinc/76/88/99/507768899.db2.gz RMSNCNZMPBOJBK-UHFFFAOYSA-N 1 2 363.461 2.957 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000029760022 507789826 /nfs/dbraw/zinc/78/98/26/507789826.db2.gz NNVLYFKXQXIFFL-KRWDZBQOSA-N 1 2 374.444 2.542 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000029861804 507793517 /nfs/dbraw/zinc/79/35/17/507793517.db2.gz DQSILHWYKKNELN-SCLBCKFNSA-N 1 2 364.877 2.653 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000029861804 507793518 /nfs/dbraw/zinc/79/35/18/507793518.db2.gz DQSILHWYKKNELN-SCLBCKFNSA-N 1 2 364.877 2.653 20 30 FFEDLO CCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000029928687 507796376 /nfs/dbraw/zinc/79/63/76/507796376.db2.gz DJFVQLNFMAIIIG-CQSZACIVSA-N 1 2 374.485 2.723 20 30 FFEDLO Cc1nnc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)c(C#N)c1C ZINC000052219233 507802724 /nfs/dbraw/zinc/80/27/24/507802724.db2.gz LGAGAQBWEXGLDX-CHWSQXEVSA-N 1 2 352.442 2.586 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1cc(OC)ccc1OC)C1CC1 ZINC000052565577 507814226 /nfs/dbraw/zinc/81/42/26/507814226.db2.gz DKBNCTUKCSKLCK-HNNXBMFYSA-N 1 2 359.470 2.676 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1cc(OC)ccc1OC)C1CC1 ZINC000052565577 507814227 /nfs/dbraw/zinc/81/42/27/507814227.db2.gz DKBNCTUKCSKLCK-HNNXBMFYSA-N 1 2 359.470 2.676 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000052659549 507817039 /nfs/dbraw/zinc/81/70/39/507817039.db2.gz YJURGVRBZXCXGS-NSHDSACASA-N 1 2 371.268 2.624 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000052659549 507817040 /nfs/dbraw/zinc/81/70/40/507817040.db2.gz YJURGVRBZXCXGS-NSHDSACASA-N 1 2 371.268 2.624 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000052659550 507817217 /nfs/dbraw/zinc/81/72/17/507817217.db2.gz YJURGVRBZXCXGS-LLVKDONJSA-N 1 2 371.268 2.624 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000052659550 507817218 /nfs/dbraw/zinc/81/72/18/507817218.db2.gz YJURGVRBZXCXGS-LLVKDONJSA-N 1 2 371.268 2.624 20 30 FFEDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000031114956 507817446 /nfs/dbraw/zinc/81/74/46/507817446.db2.gz KSAXVAJNAYJNST-OXQOHEQNSA-N 1 2 358.486 2.617 20 30 FFEDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000031114956 507817447 /nfs/dbraw/zinc/81/74/47/507817447.db2.gz KSAXVAJNAYJNST-OXQOHEQNSA-N 1 2 358.486 2.617 20 30 FFEDLO Cc1cccc([C@H](C)[NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000072558084 507824282 /nfs/dbraw/zinc/82/42/82/507824282.db2.gz LOGMVCFKRIKGRZ-KRWDZBQOSA-N 1 2 369.490 2.934 20 30 FFEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000072691198 507843396 /nfs/dbraw/zinc/84/33/96/507843396.db2.gz VVYCBPIRKATPTB-LJQANCHMSA-N 1 2 361.461 2.987 20 30 FFEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000072691198 507843398 /nfs/dbraw/zinc/84/33/98/507843398.db2.gz VVYCBPIRKATPTB-LJQANCHMSA-N 1 2 361.461 2.987 20 30 FFEDLO CCN(C(=O)[C@H](C)[NH+]1CCN(c2ncccc2C#N)CC1)C1CCCCC1 ZINC000078256008 507851283 /nfs/dbraw/zinc/85/12/83/507851283.db2.gz KYWCNTRRYWUZQT-KRWDZBQOSA-N 1 2 369.513 2.645 20 30 FFEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(C#N)cn2)C[C@H](C)O1 ZINC000107454439 507853119 /nfs/dbraw/zinc/85/31/19/507853119.db2.gz QUARFKLQJHIXJC-GJZGRUSLSA-N 1 2 350.422 2.815 20 30 FFEDLO N#CCOc1cccc(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000089807398 507868835 /nfs/dbraw/zinc/86/88/35/507868835.db2.gz MTGLEGNAOVRFHL-UHFFFAOYSA-N 1 2 365.433 2.602 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000072895480 507869740 /nfs/dbraw/zinc/86/97/40/507869740.db2.gz GRNSFQWEBASZCA-JXFKEZNVSA-N 1 2 353.470 2.747 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000072895480 507869745 /nfs/dbraw/zinc/86/97/45/507869745.db2.gz GRNSFQWEBASZCA-JXFKEZNVSA-N 1 2 353.470 2.747 20 30 FFEDLO Cc1nn(-c2ccccc2)c(CN2CC[NH+](Cc3ccccn3)CC2)c1C#N ZINC000091066150 507948700 /nfs/dbraw/zinc/94/87/00/507948700.db2.gz GOGXXTNHGMQCJZ-UHFFFAOYSA-N 1 2 372.476 2.765 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091083364 507952676 /nfs/dbraw/zinc/95/26/76/507952676.db2.gz QQSWKZLGXKUHMP-LBPRGKRZSA-N 1 2 370.831 2.811 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCCN(CC(F)F)CC1 ZINC000091083364 507952679 /nfs/dbraw/zinc/95/26/79/507952679.db2.gz QQSWKZLGXKUHMP-LBPRGKRZSA-N 1 2 370.831 2.811 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc2c1OCO2 ZINC000091918019 508024386 /nfs/dbraw/zinc/02/43/86/508024386.db2.gz GRPSSDHXBIYGAJ-UHFFFAOYSA-N 1 2 369.396 2.757 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cn3ccc4ccccc43)CC2)cc1 ZINC000080199005 508050231 /nfs/dbraw/zinc/05/02/31/508050231.db2.gz BIQLLOGOLWWVJM-UHFFFAOYSA-N 1 2 358.445 2.857 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(Br)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000092361635 508064995 /nfs/dbraw/zinc/06/49/95/508064995.db2.gz NEMVHQJSFBKIIJ-HNNXBMFYSA-N 1 2 358.301 2.933 20 30 FFEDLO C=CC[N@H+](Cc1ccc(Br)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000092361635 508064997 /nfs/dbraw/zinc/06/49/97/508064997.db2.gz NEMVHQJSFBKIIJ-HNNXBMFYSA-N 1 2 358.301 2.933 20 30 FFEDLO C=CC1CCN(C(=O)c2ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc2)CC1 ZINC000110968246 508061391 /nfs/dbraw/zinc/06/13/91/508061391.db2.gz RLOKDGOABLNBAA-UHFFFAOYSA-N 1 2 371.462 2.921 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)nc1 ZINC000110979815 508063004 /nfs/dbraw/zinc/06/30/04/508063004.db2.gz RALIQMICLUKWFR-AWEZNQCLSA-N 1 2 356.376 2.626 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)nc1 ZINC000110979815 508063007 /nfs/dbraw/zinc/06/30/07/508063007.db2.gz RALIQMICLUKWFR-AWEZNQCLSA-N 1 2 356.376 2.626 20 30 FFEDLO COc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)o3)CC2)cc1 ZINC000092709917 508097287 /nfs/dbraw/zinc/09/72/87/508097287.db2.gz ZAPMBFMJNQTNHV-UHFFFAOYSA-N 1 2 367.449 2.827 20 30 FFEDLO COc1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)o3)CC2)cc1 ZINC000092709917 508097288 /nfs/dbraw/zinc/09/72/88/508097288.db2.gz ZAPMBFMJNQTNHV-UHFFFAOYSA-N 1 2 367.449 2.827 20 30 FFEDLO C=CC1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)CC1 ZINC000111465296 508101299 /nfs/dbraw/zinc/10/12/99/508101299.db2.gz BPOYYOCETMLXOQ-IYBDPMFKSA-N 1 2 358.486 2.803 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC(=O)NC2CCCCCC2)CC1 ZINC000080904261 508110434 /nfs/dbraw/zinc/11/04/34/508110434.db2.gz GAYJZTXNPFELPR-HXUWFJFHSA-N 1 2 354.498 2.708 20 30 FFEDLO COc1ccc(C[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1OCCCC#N ZINC000093421833 508144804 /nfs/dbraw/zinc/14/48/04/508144804.db2.gz IOTYOGFAIYLLFE-GJZGRUSLSA-N 1 2 368.499 2.631 20 30 FFEDLO COc1ccc(C[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1OCCCC#N ZINC000093421833 508144805 /nfs/dbraw/zinc/14/48/05/508144805.db2.gz IOTYOGFAIYLLFE-GJZGRUSLSA-N 1 2 368.499 2.631 20 30 FFEDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093809666 508156205 /nfs/dbraw/zinc/15/62/05/508156205.db2.gz FAAPSLRELXKQNN-SFHVURJKSA-N 1 2 361.453 2.929 20 30 FFEDLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093809666 508156208 /nfs/dbraw/zinc/15/62/08/508156208.db2.gz FAAPSLRELXKQNN-SFHVURJKSA-N 1 2 361.453 2.929 20 30 FFEDLO CC(C)CO[C@H](C)c1noc(CN(C)Cc2c[nH+]c3ccc(C#N)cn23)n1 ZINC000093885704 508158880 /nfs/dbraw/zinc/15/88/80/508158880.db2.gz YQQCCFFYWOQYNI-CQSZACIVSA-N 1 2 368.441 2.955 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000076188897 508168190 /nfs/dbraw/zinc/16/81/90/508168190.db2.gz UFIJFYGRBJMQAZ-GOSISDBHSA-N 1 2 363.461 2.929 20 30 FFEDLO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000112623090 508203059 /nfs/dbraw/zinc/20/30/59/508203059.db2.gz RCFOPDDVQUFZAH-GOSISDBHSA-N 1 2 373.840 2.824 20 30 FFEDLO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000112623090 508203060 /nfs/dbraw/zinc/20/30/60/508203060.db2.gz RCFOPDDVQUFZAH-GOSISDBHSA-N 1 2 373.840 2.824 20 30 FFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)C2 ZINC000112665617 508207190 /nfs/dbraw/zinc/20/71/90/508207190.db2.gz FYAGSENSKPJQHF-AWEZNQCLSA-N 1 2 352.438 2.767 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000083169941 508238212 /nfs/dbraw/zinc/23/82/12/508238212.db2.gz FEGKEHKTCCYZMD-KXBFYZLASA-N 1 2 371.481 2.645 20 30 FFEDLO C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101728757 508255070 /nfs/dbraw/zinc/25/50/70/508255070.db2.gz KRNJKCRLEUKGCR-GOSISDBHSA-N 1 2 374.488 2.654 20 30 FFEDLO COc1cc(C#N)ccc1OCCn1c2ccccc2[nH+]c1NC[C@H](C)O ZINC000077238386 508291341 /nfs/dbraw/zinc/29/13/41/508291341.db2.gz LNGVDVKLLJNZLY-AWEZNQCLSA-N 1 2 366.421 2.788 20 30 FFEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000103965595 508324966 /nfs/dbraw/zinc/32/49/66/508324966.db2.gz XMHHNQUZBLXTLI-UHFFFAOYSA-N 1 2 361.405 2.825 20 30 FFEDLO CCCC[C@@H](COC)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000077796013 508375535 /nfs/dbraw/zinc/37/55/35/508375535.db2.gz XINKRPVCCOLAST-IBGZPJMESA-N 1 2 358.486 2.591 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000077966314 508395477 /nfs/dbraw/zinc/39/54/77/508395477.db2.gz DQXQQLBFOXDPOT-UHFFFAOYSA-N 1 2 356.382 2.992 20 30 FFEDLO COc1cc(C[N@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)ccc1SC ZINC000115538309 508405810 /nfs/dbraw/zinc/40/58/10/508405810.db2.gz HJXPVFPRMNEGJM-SFHVURJKSA-N 1 2 355.463 2.947 20 30 FFEDLO COc1cc(C[N@@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)ccc1SC ZINC000115538309 508405813 /nfs/dbraw/zinc/40/58/13/508405813.db2.gz HJXPVFPRMNEGJM-SFHVURJKSA-N 1 2 355.463 2.947 20 30 FFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)C(N)=O)cc1 ZINC000115597048 508416157 /nfs/dbraw/zinc/41/61/57/508416157.db2.gz QDCVMUGNSJIUKP-MRXNPFEDSA-N 1 2 363.339 2.816 20 30 FFEDLO N#Cc1cccc(OCC[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000121819998 508425417 /nfs/dbraw/zinc/42/54/17/508425417.db2.gz LVOAYRTWWLHXDO-WMZOPIPTSA-N 1 2 358.463 2.823 20 30 FFEDLO N#Cc1cccc(OCC[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000121819998 508425418 /nfs/dbraw/zinc/42/54/18/508425418.db2.gz LVOAYRTWWLHXDO-WMZOPIPTSA-N 1 2 358.463 2.823 20 30 FFEDLO N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000152489596 508457070 /nfs/dbraw/zinc/45/70/70/508457070.db2.gz RFZFPOOYALHDRU-LSJNQWAISA-N 1 2 364.449 2.824 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000156832506 508483714 /nfs/dbraw/zinc/48/37/14/508483714.db2.gz RXXHLYGZPDSUKV-MJGOQNOKSA-N 1 2 358.463 2.627 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000156832506 508483719 /nfs/dbraw/zinc/48/37/19/508483719.db2.gz RXXHLYGZPDSUKV-MJGOQNOKSA-N 1 2 358.463 2.627 20 30 FFEDLO C=C(C)COc1cc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)ccc1OC ZINC000157102704 508522636 /nfs/dbraw/zinc/52/26/36/508522636.db2.gz RBJVZYJZXFXEPY-QGZVFWFLSA-N 1 2 365.495 2.802 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)ccc1OC ZINC000157102704 508522639 /nfs/dbraw/zinc/52/26/39/508522639.db2.gz RBJVZYJZXFXEPY-QGZVFWFLSA-N 1 2 365.495 2.802 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153376600 508577002 /nfs/dbraw/zinc/57/70/02/508577002.db2.gz WZNNQZMJQFJZAN-CYBMUJFWSA-N 1 2 350.378 2.852 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153376600 508577008 /nfs/dbraw/zinc/57/70/08/508577008.db2.gz WZNNQZMJQFJZAN-CYBMUJFWSA-N 1 2 350.378 2.852 20 30 FFEDLO CC(C)n1ncc2cc(C[NH+]3CCN(c4ncccc4C#N)CC3)cnc21 ZINC000157566710 508582397 /nfs/dbraw/zinc/58/23/97/508582397.db2.gz IGRQROWJYXXENU-UHFFFAOYSA-N 1 2 361.453 2.601 20 30 FFEDLO N#Cc1cccc(OCCCN2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000128403835 508587811 /nfs/dbraw/zinc/58/78/11/508587811.db2.gz NZZVZGPLELRSDG-UHFFFAOYSA-N 1 2 351.450 2.851 20 30 FFEDLO C[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000157646333 508591772 /nfs/dbraw/zinc/59/17/72/508591772.db2.gz NVSJMAADUURKRZ-IBGZPJMESA-N 1 2 370.474 2.756 20 30 FFEDLO C[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000157646333 508591775 /nfs/dbraw/zinc/59/17/75/508591775.db2.gz NVSJMAADUURKRZ-IBGZPJMESA-N 1 2 370.474 2.756 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1C#N ZINC000157644671 508592042 /nfs/dbraw/zinc/59/20/42/508592042.db2.gz SJWBNGZYDZHFMS-GJZGRUSLSA-N 1 2 360.458 2.576 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)c(OC(F)F)c1 ZINC000122916554 508606469 /nfs/dbraw/zinc/60/64/69/508606469.db2.gz CDVHPFLQNULGLL-UHFFFAOYSA-N 1 2 374.391 2.885 20 30 FFEDLO CC(C)n1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000118859981 508686716 /nfs/dbraw/zinc/68/67/16/508686716.db2.gz JWIWQFFAQGZCLV-INIZCTEOSA-N 1 2 352.442 2.549 20 30 FFEDLO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000118859981 508686719 /nfs/dbraw/zinc/68/67/19/508686719.db2.gz JWIWQFFAQGZCLV-INIZCTEOSA-N 1 2 352.442 2.549 20 30 FFEDLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367258025 512410604 /nfs/dbraw/zinc/41/06/04/512410604.db2.gz AKHRCECXGXCRBH-KZNAEPCWSA-N 1 2 354.498 2.832 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136867680 508721328 /nfs/dbraw/zinc/72/13/28/508721328.db2.gz PMSGKILSHQHYFJ-UXHICEINSA-N 1 2 366.421 2.511 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136867734 508721495 /nfs/dbraw/zinc/72/14/95/508721495.db2.gz PMSGKILSHQHYFJ-PMACEKPBSA-N 1 2 366.421 2.511 20 30 FFEDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000136896666 508722907 /nfs/dbraw/zinc/72/29/07/508722907.db2.gz IZNQUJONTDUVFG-UHFFFAOYSA-N 1 2 368.403 2.567 20 30 FFEDLO C=C[C@H](CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000158855411 508760503 /nfs/dbraw/zinc/76/05/03/508760503.db2.gz PGPGWBXUKHRLII-XLIONFOSSA-N 1 2 360.523 2.670 20 30 FFEDLO N#Cc1ccccc1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000119352535 508778428 /nfs/dbraw/zinc/77/84/28/508778428.db2.gz HXNZCCWDVQEXIA-MRXNPFEDSA-N 1 2 359.451 2.657 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000124464886 508836849 /nfs/dbraw/zinc/83/68/49/508836849.db2.gz FXYRAAYNRKXPML-GXTWGEPZSA-N 1 2 358.467 2.834 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000124464886 508836852 /nfs/dbraw/zinc/83/68/52/508836852.db2.gz FXYRAAYNRKXPML-GXTWGEPZSA-N 1 2 358.467 2.834 20 30 FFEDLO C=CCc1cc(CNc2ccc(N3CCOCC3)c[nH+]2)cc(OC)c1O ZINC000131306056 508914013 /nfs/dbraw/zinc/91/40/13/508914013.db2.gz MFCZVFQLNMMYRI-UHFFFAOYSA-N 1 2 355.438 2.973 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(N3CCCCC3=O)CC2)c1C ZINC000120201623 508949339 /nfs/dbraw/zinc/94/93/39/508949339.db2.gz KLBYTZWSELUPJX-UHFFFAOYSA-N 1 2 357.498 2.951 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000151318919 508998490 /nfs/dbraw/zinc/99/84/90/508998490.db2.gz VLDYQBQPSQIJSQ-UHFFFAOYSA-N 1 2 371.387 2.803 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+](CC)[C@@H]2CCS(=O)(=O)C2)ccc1OC ZINC000160587253 509007081 /nfs/dbraw/zinc/00/70/81/509007081.db2.gz PURAPGATYHVTPB-MRXNPFEDSA-N 1 2 353.484 2.659 20 30 FFEDLO C=C(C)COc1cc(C[N@H+](CC)[C@@H]2CCS(=O)(=O)C2)ccc1OC ZINC000160587253 509007083 /nfs/dbraw/zinc/00/70/83/509007083.db2.gz PURAPGATYHVTPB-MRXNPFEDSA-N 1 2 353.484 2.659 20 30 FFEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN([C@H](C)c2cccnc2)CC1 ZINC000120538326 509016403 /nfs/dbraw/zinc/01/64/03/509016403.db2.gz QIAPLKQLZSTKAA-QGZVFWFLSA-N 1 2 366.465 2.719 20 30 FFEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000132494007 509038564 /nfs/dbraw/zinc/03/85/64/509038564.db2.gz ILADBIYCMIBTLV-SFHVURJKSA-N 1 2 373.928 2.710 20 30 FFEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CSCC#N ZINC000155749049 509064355 /nfs/dbraw/zinc/06/43/55/509064355.db2.gz GWLUANMZMROPIO-MAUKXSAKSA-N 1 2 360.527 2.706 20 30 FFEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CSCC#N ZINC000155749049 509064358 /nfs/dbraw/zinc/06/43/58/509064358.db2.gz GWLUANMZMROPIO-MAUKXSAKSA-N 1 2 360.527 2.706 20 30 FFEDLO CCO[C@H]1C[C@@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C12CCC2 ZINC000120797158 509066812 /nfs/dbraw/zinc/06/68/12/509066812.db2.gz YDADUEPKVWQNMW-MSOLQXFVSA-N 1 2 362.495 2.611 20 30 FFEDLO CCO[C@H]1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C12CCC2 ZINC000120797158 509066815 /nfs/dbraw/zinc/06/68/15/509066815.db2.gz YDADUEPKVWQNMW-MSOLQXFVSA-N 1 2 362.495 2.611 20 30 FFEDLO Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000120928803 509090910 /nfs/dbraw/zinc/09/09/10/509090910.db2.gz JYNVQGHZGWHEAI-SFHVURJKSA-N 1 2 363.461 2.978 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2c(Br)cccc2C1 ZINC000121161428 509141955 /nfs/dbraw/zinc/14/19/55/509141955.db2.gz XIBFXDOLHUEXSC-ZDUSSCGKSA-N 1 2 364.287 2.815 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2c(Br)cccc2C1 ZINC000121161428 509141957 /nfs/dbraw/zinc/14/19/57/509141957.db2.gz XIBFXDOLHUEXSC-ZDUSSCGKSA-N 1 2 364.287 2.815 20 30 FFEDLO CN1CC[NH+](Cc2cccc(NC(=O)c3c(F)cc(C#N)cc3F)c2)CC1 ZINC000127065952 509164603 /nfs/dbraw/zinc/16/46/03/509164603.db2.gz VAPUBDXHMKWCIM-UHFFFAOYSA-N 1 2 370.403 2.836 20 30 FFEDLO C=CCCOCCNC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000179023498 509228978 /nfs/dbraw/zinc/22/89/78/509228978.db2.gz WSPQZQXBFUTMQP-QGZVFWFLSA-N 1 2 361.486 2.676 20 30 FFEDLO N#CCCCOc1cccnc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000188729938 509234332 /nfs/dbraw/zinc/23/43/32/509234332.db2.gz MJFKBPVBVDIESZ-OAHLLOKOSA-N 1 2 366.425 2.560 20 30 FFEDLO Cc1nc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)ccc1C#N ZINC000188777708 509258890 /nfs/dbraw/zinc/25/88/90/509258890.db2.gz XXVRQYAGCAYGPE-UHFFFAOYSA-N 1 2 354.841 2.703 20 30 FFEDLO Cc1nc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)ccc1C#N ZINC000188777708 509258897 /nfs/dbraw/zinc/25/88/97/509258897.db2.gz XXVRQYAGCAYGPE-UHFFFAOYSA-N 1 2 354.841 2.703 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188809584 509274279 /nfs/dbraw/zinc/27/42/79/509274279.db2.gz LGEPYBAKOMTROF-UHFFFAOYSA-N 1 2 362.433 2.769 20 30 FFEDLO C[C@@H]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000248506520 509346629 /nfs/dbraw/zinc/34/66/29/509346629.db2.gz XUVRRYHWSXIACC-IUODEOHRSA-N 1 2 364.858 2.680 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000248628935 509400150 /nfs/dbraw/zinc/40/01/50/509400150.db2.gz QWLGQNBMHMQVTK-KPVUDJQRSA-N 1 2 367.540 2.718 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000248628935 509400155 /nfs/dbraw/zinc/40/01/55/509400155.db2.gz QWLGQNBMHMQVTK-KPVUDJQRSA-N 1 2 367.540 2.718 20 30 FFEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3c[nH]c(-c4ccccc4)n3)C2=O)cc1 ZINC000192242322 509422966 /nfs/dbraw/zinc/42/29/66/509422966.db2.gz DFXGNFOVDDKQLJ-HXUWFJFHSA-N 1 2 371.444 2.839 20 30 FFEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccn(-c4ccccc4)n3)C2=O)cc1 ZINC000192243573 509423392 /nfs/dbraw/zinc/42/33/92/509423392.db2.gz HYFZXYXFBHRZBL-OAQYLSRUSA-N 1 2 371.444 2.635 20 30 FFEDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCC#N)Cc1ccco1 ZINC000176290114 509425519 /nfs/dbraw/zinc/42/55/19/509425519.db2.gz ILKNUUFZNRLELM-UHFFFAOYSA-N 1 2 372.381 2.941 20 30 FFEDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCC#N)Cc1ccco1 ZINC000176290114 509425525 /nfs/dbraw/zinc/42/55/25/509425525.db2.gz ILKNUUFZNRLELM-UHFFFAOYSA-N 1 2 372.381 2.941 20 30 FFEDLO COc1cc(C)cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1O ZINC000264326335 509457931 /nfs/dbraw/zinc/45/79/31/509457931.db2.gz IYKCXJYXAJZGPT-UHFFFAOYSA-N 1 2 365.433 2.539 20 30 FFEDLO CCOC(=O)CC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000267426453 509474674 /nfs/dbraw/zinc/47/46/74/509474674.db2.gz VRCPMZFOFBWMJH-UHFFFAOYSA-N 1 2 363.483 2.840 20 30 FFEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000164220103 509477149 /nfs/dbraw/zinc/47/71/49/509477149.db2.gz FPIHNBNFRBCIEY-MRXNPFEDSA-N 1 2 357.435 2.727 20 30 FFEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000164220103 509477154 /nfs/dbraw/zinc/47/71/54/509477154.db2.gz FPIHNBNFRBCIEY-MRXNPFEDSA-N 1 2 357.435 2.727 20 30 FFEDLO N#Cc1cccc(NCC(=O)NCc2[nH+]ccn2CCc2ccccc2)c1 ZINC000164444545 509504003 /nfs/dbraw/zinc/50/40/03/509504003.db2.gz VQZLLWIUSQHESY-UHFFFAOYSA-N 1 2 359.433 2.726 20 30 FFEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000264493001 509561868 /nfs/dbraw/zinc/56/18/68/509561868.db2.gz SZCOBTJOBJARAC-KBPBESRZSA-N 1 2 361.467 2.514 20 30 FFEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000264493001 509561875 /nfs/dbraw/zinc/56/18/75/509561875.db2.gz SZCOBTJOBJARAC-KBPBESRZSA-N 1 2 361.467 2.514 20 30 FFEDLO CO[C@@H](C)c1nc(CN2CCC[N@H+](C[C@H](C#N)CCC#N)CC2)cs1 ZINC000267646728 509581721 /nfs/dbraw/zinc/58/17/21/509581721.db2.gz KPWWYLONDSMMEA-HOTGVXAUSA-N 1 2 361.515 2.802 20 30 FFEDLO CO[C@@H](C)c1nc(CN2CCC[N@@H+](C[C@H](C#N)CCC#N)CC2)cs1 ZINC000267646728 509581724 /nfs/dbraw/zinc/58/17/24/509581724.db2.gz KPWWYLONDSMMEA-HOTGVXAUSA-N 1 2 361.515 2.802 20 30 FFEDLO Cc1cc(N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)nc[nH+]1 ZINC000167477286 509631814 /nfs/dbraw/zinc/63/18/14/509631814.db2.gz SUWBRDFZXHAHTQ-INIZCTEOSA-N 1 2 372.270 2.934 20 30 FFEDLO COc1ccccc1C[N@H+](CCO)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173643147 509693264 /nfs/dbraw/zinc/69/32/64/509693264.db2.gz BRMDBLMJSXZOHE-UHFFFAOYSA-N 1 2 364.405 2.611 20 30 FFEDLO COc1ccccc1C[N@@H+](CCO)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173643147 509693266 /nfs/dbraw/zinc/69/32/66/509693266.db2.gz BRMDBLMJSXZOHE-UHFFFAOYSA-N 1 2 364.405 2.611 20 30 FFEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000180051544 509726901 /nfs/dbraw/zinc/72/69/01/509726901.db2.gz WBYNHLJVXOXUEH-CQSZACIVSA-N 1 2 362.393 2.880 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)oc1C ZINC000193063410 509762095 /nfs/dbraw/zinc/76/20/95/509762095.db2.gz SXFNFMITIQBQLC-UHFFFAOYSA-N 1 2 357.385 2.708 20 30 FFEDLO C=CC[C@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1ccccc1 ZINC000186580997 509781928 /nfs/dbraw/zinc/78/19/28/509781928.db2.gz BSIOPAFXHDIBPQ-IBGZPJMESA-N 1 2 351.450 2.894 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000245402532 509904771 /nfs/dbraw/zinc/90/47/71/509904771.db2.gz IKHUXTARILDVGJ-UYAOXDASSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000245402532 509904783 /nfs/dbraw/zinc/90/47/83/509904783.db2.gz IKHUXTARILDVGJ-UYAOXDASSA-N 1 2 356.397 2.511 20 30 FFEDLO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000177168811 509913594 /nfs/dbraw/zinc/91/35/94/509913594.db2.gz HQSGMGLEMSGEBG-QGZVFWFLSA-N 1 2 373.478 2.849 20 30 FFEDLO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000177168811 509913605 /nfs/dbraw/zinc/91/36/05/509913605.db2.gz HQSGMGLEMSGEBG-QGZVFWFLSA-N 1 2 373.478 2.849 20 30 FFEDLO N#CC1(c2ccc(C(=O)N3CC[NH+](Cc4cccc(O)c4)CC3)cc2)CC1 ZINC000180538420 509973967 /nfs/dbraw/zinc/97/39/67/509973967.db2.gz WJESDRRWMLXUDU-UHFFFAOYSA-N 1 2 361.445 2.905 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2cccc(OC)c2CC1 ZINC000193710693 510031632 /nfs/dbraw/zinc/03/16/32/510031632.db2.gz KSPVYEKIKLBYEV-HXUWFJFHSA-N 1 2 350.418 2.882 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2cccc(OC)c2CC1 ZINC000193710693 510031635 /nfs/dbraw/zinc/03/16/35/510031635.db2.gz KSPVYEKIKLBYEV-HXUWFJFHSA-N 1 2 350.418 2.882 20 30 FFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000245634021 510052571 /nfs/dbraw/zinc/05/25/71/510052571.db2.gz UUBXVMLAXNIVNL-HZPDHXFCSA-N 1 2 355.891 2.698 20 30 FFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000245634021 510052579 /nfs/dbraw/zinc/05/25/79/510052579.db2.gz UUBXVMLAXNIVNL-HZPDHXFCSA-N 1 2 355.891 2.698 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000171281500 510053901 /nfs/dbraw/zinc/05/39/01/510053901.db2.gz RSVVAKJLIVOCFD-MRXNPFEDSA-N 1 2 365.433 2.801 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1csc(-c2ccc(F)cc2)n1 ZINC000268775119 510091790 /nfs/dbraw/zinc/09/17/90/510091790.db2.gz VFUJGRYUQZVTKZ-UHFFFAOYSA-N 1 2 374.485 2.997 20 30 FFEDLO CC(C)C(=O)N1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000265661257 510162692 /nfs/dbraw/zinc/16/26/92/510162692.db2.gz RYPVLOQFKYPNNF-SFHVURJKSA-N 1 2 370.497 2.512 20 30 FFEDLO CC(C)C(=O)N1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000265661257 510162700 /nfs/dbraw/zinc/16/27/00/510162700.db2.gz RYPVLOQFKYPNNF-SFHVURJKSA-N 1 2 370.497 2.512 20 30 FFEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cs1 ZINC000178145248 510455858 /nfs/dbraw/zinc/45/58/58/510455858.db2.gz NDTPSELASAFRBW-MNOVXSKESA-N 1 2 364.446 2.688 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178162672 510465137 /nfs/dbraw/zinc/46/51/37/510465137.db2.gz UUIBORBZTNDDNJ-HXUWFJFHSA-N 1 2 367.424 2.729 20 30 FFEDLO N#Cc1ccccc1Sc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000175112125 510488145 /nfs/dbraw/zinc/48/81/45/510488145.db2.gz TYZSLGCOEHIICJ-UHFFFAOYSA-N 1 2 367.474 2.771 20 30 FFEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000191081094 510495037 /nfs/dbraw/zinc/49/50/37/510495037.db2.gz WCXHDNOFJFJYMD-KRWDZBQOSA-N 1 2 356.470 2.951 20 30 FFEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000191081094 510495045 /nfs/dbraw/zinc/49/50/45/510495045.db2.gz WCXHDNOFJFJYMD-KRWDZBQOSA-N 1 2 356.470 2.951 20 30 FFEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(CN4C(=O)CCCC4=O)cc3)n2c1 ZINC000184812158 510525650 /nfs/dbraw/zinc/52/56/50/510525650.db2.gz FUPQYZUHOJMQOZ-UHFFFAOYSA-N 1 2 373.416 2.857 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc(F)c(F)c1 ZINC000188031024 510557032 /nfs/dbraw/zinc/55/70/32/510557032.db2.gz UEBIMEVHRFUROO-KRWDZBQOSA-N 1 2 367.440 2.992 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc(F)c(F)c1 ZINC000188031024 510557038 /nfs/dbraw/zinc/55/70/38/510557038.db2.gz UEBIMEVHRFUROO-KRWDZBQOSA-N 1 2 367.440 2.992 20 30 FFEDLO Cn1cc(C[NH+]2CCN(Cc3csc(C(C)(C)C)n3)CC2)cc1C#N ZINC000191252583 510571230 /nfs/dbraw/zinc/57/12/30/510571230.db2.gz ZBHGUKVDIPFQSC-UHFFFAOYSA-N 1 2 357.527 2.969 20 30 FFEDLO Cc1cc(NC(=O)C(=O)N(C)[C@H](C)CC#N)ccc1Oc1cc[nH+]cc1 ZINC000194885853 510574536 /nfs/dbraw/zinc/57/45/36/510574536.db2.gz RULQHKNXDABXNH-CQSZACIVSA-N 1 2 352.394 2.881 20 30 FFEDLO Cc1cc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)ccc1Oc1cc[nH+]cc1 ZINC000194885839 510575123 /nfs/dbraw/zinc/57/51/23/510575123.db2.gz RULQHKNXDABXNH-AWEZNQCLSA-N 1 2 352.394 2.881 20 30 FFEDLO Cc1cc2[nH+]cn(C[C@H](O)CN(CCC#N)Cc3ccccn3)c2cc1C ZINC000178384543 510577609 /nfs/dbraw/zinc/57/76/09/510577609.db2.gz BOSABNGJMJOJBN-LJQANCHMSA-N 1 2 363.465 2.825 20 30 FFEDLO C#CCOc1ccccc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000188111194 510599109 /nfs/dbraw/zinc/59/91/09/510599109.db2.gz OBTGRJPUAJTIOL-MRXNPFEDSA-N 1 2 352.438 2.919 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000246679441 510613731 /nfs/dbraw/zinc/61/37/31/510613731.db2.gz JVHLOPVVVJXREK-QFIXIFRTSA-N 1 2 370.424 2.899 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000246679441 510613736 /nfs/dbraw/zinc/61/37/36/510613736.db2.gz JVHLOPVVVJXREK-QFIXIFRTSA-N 1 2 370.424 2.899 20 30 FFEDLO COC[C@@H](Cc1ccccc1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000191492637 510685745 /nfs/dbraw/zinc/68/57/45/510685745.db2.gz NEOIDCDPRSXWTK-LJQANCHMSA-N 1 2 372.490 2.521 20 30 FFEDLO COC[C@@H](Cc1ccccc1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000191492637 510685747 /nfs/dbraw/zinc/68/57/47/510685747.db2.gz NEOIDCDPRSXWTK-LJQANCHMSA-N 1 2 372.490 2.521 20 30 FFEDLO C=CCOc1cccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000175592657 510687347 /nfs/dbraw/zinc/68/73/47/510687347.db2.gz JAEHWDRYCOUFHY-SFHVURJKSA-N 1 2 359.470 2.970 20 30 FFEDLO O=C(NC1CC1)[C@H]1CCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000178635097 510697136 /nfs/dbraw/zinc/69/71/36/510697136.db2.gz ZDJSYLLCPDFMIE-MRXNPFEDSA-N 1 2 352.356 2.680 20 30 FFEDLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000178635097 510697140 /nfs/dbraw/zinc/69/71/40/510697140.db2.gz ZDJSYLLCPDFMIE-MRXNPFEDSA-N 1 2 352.356 2.680 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000188325621 510710845 /nfs/dbraw/zinc/71/08/45/510710845.db2.gz KHNVRNOSQGDZBK-FPOVZHCZSA-N 1 2 360.498 2.713 20 30 FFEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1S(=O)(=O)CCCCC#N ZINC000270231581 510726788 /nfs/dbraw/zinc/72/67/88/510726788.db2.gz VHDUMGQREAPMLF-MRXNPFEDSA-N 1 2 360.483 2.833 20 30 FFEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000178816090 510787266 /nfs/dbraw/zinc/78/72/66/510787266.db2.gz JIGRTEFBXJODQF-UHFFFAOYSA-N 1 2 350.397 2.900 20 30 FFEDLO C[N@H+](Cc1ccc([S@](C)=O)cc1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000246993784 510788000 /nfs/dbraw/zinc/78/80/00/510788000.db2.gz KGPVRTDMSLIWSR-SIBVEZHUSA-N 1 2 367.474 2.533 20 30 FFEDLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000246993784 510788006 /nfs/dbraw/zinc/78/80/06/510788006.db2.gz KGPVRTDMSLIWSR-SIBVEZHUSA-N 1 2 367.474 2.533 20 30 FFEDLO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1nc(Cc2ccccc2)no1 ZINC000185404297 510837103 /nfs/dbraw/zinc/83/71/03/510837103.db2.gz OTXSNWBBKQDZIN-CQSZACIVSA-N 1 2 361.405 2.821 20 30 FFEDLO C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000329921094 510877019 /nfs/dbraw/zinc/87/70/19/510877019.db2.gz FLSGEQCTIPPCOC-SWLSCSKDSA-N 1 2 363.412 2.664 20 30 FFEDLO CC1CCC(CNC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)CC1 ZINC000329964540 510889046 /nfs/dbraw/zinc/88/90/46/510889046.db2.gz UMXFYGDTHHXTEA-RLNQZENFSA-N 1 2 365.497 2.662 20 30 FFEDLO CC1CCC(CNC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)CC1 ZINC000329964540 510889047 /nfs/dbraw/zinc/88/90/47/510889047.db2.gz UMXFYGDTHHXTEA-RLNQZENFSA-N 1 2 365.497 2.662 20 30 FFEDLO CCN1CCN(C(=O)NC[C@H](C)c2nc(C)cs2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329972377 510889768 /nfs/dbraw/zinc/88/97/68/510889768.db2.gz WCSQPVZRQPIOEI-JSGCOSHPSA-N 1 2 362.503 2.571 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2COc3ccccc3C2)cn1 ZINC000329993403 510895909 /nfs/dbraw/zinc/89/59/09/510895909.db2.gz YKADHVGWAPUJBL-SQNIBIBYSA-N 1 2 372.444 2.540 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2COc3ccccc3C2)cn1 ZINC000329993403 510895916 /nfs/dbraw/zinc/89/59/16/510895916.db2.gz YKADHVGWAPUJBL-SQNIBIBYSA-N 1 2 372.444 2.540 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NC[C@]1(C)CCCC[C@H]1O)C2 ZINC000330079778 510912738 /nfs/dbraw/zinc/91/27/38/510912738.db2.gz OOXXTTGFCQMFHU-NBQZKYEYSA-N 1 2 362.518 2.940 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+]C[C@]1(C)CCCC[C@H]1O)C2 ZINC000330079778 510912742 /nfs/dbraw/zinc/91/27/42/510912742.db2.gz OOXXTTGFCQMFHU-NBQZKYEYSA-N 1 2 362.518 2.940 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)NCCc2cccc3cccnc32)C[C@]2(CCOC2)O1 ZINC000330092456 510913335 /nfs/dbraw/zinc/91/33/35/510913335.db2.gz YSLPUVCXKRKHNM-IERDGZPVSA-N 1 2 369.465 2.614 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)NCCc2cccc3cccnc32)C[C@]2(CCOC2)O1 ZINC000330092456 510913343 /nfs/dbraw/zinc/91/33/43/510913343.db2.gz YSLPUVCXKRKHNM-IERDGZPVSA-N 1 2 369.465 2.614 20 30 FFEDLO CCCC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000330092535 510913926 /nfs/dbraw/zinc/91/39/26/510913926.db2.gz QTVKYZONJZPIQG-WMZOPIPTSA-N 1 2 365.518 2.625 20 30 FFEDLO CCCC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000330092535 510913928 /nfs/dbraw/zinc/91/39/28/510913928.db2.gz QTVKYZONJZPIQG-WMZOPIPTSA-N 1 2 365.518 2.625 20 30 FFEDLO COc1ccc([C@H](NC(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)C2CC2)cc1 ZINC000330087282 510914150 /nfs/dbraw/zinc/91/41/50/510914150.db2.gz SVPGWPUCRUDOQB-IWMITWMQSA-N 1 2 374.481 2.983 20 30 FFEDLO COc1ccc([C@H](NC(=O)C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)C2CC2)cc1 ZINC000330087282 510914152 /nfs/dbraw/zinc/91/41/52/510914152.db2.gz SVPGWPUCRUDOQB-IWMITWMQSA-N 1 2 374.481 2.983 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)NCCc2ccc(F)cc2)C[C@@]2(CCCOC2)O1 ZINC000330099017 510915037 /nfs/dbraw/zinc/91/50/37/510915037.db2.gz CPMYGJXLGQKGTI-DNVCBOLYSA-N 1 2 350.434 2.595 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)NCCc2ccc(F)cc2)C[C@@]2(CCCOC2)O1 ZINC000330099017 510915041 /nfs/dbraw/zinc/91/50/41/510915041.db2.gz CPMYGJXLGQKGTI-DNVCBOLYSA-N 1 2 350.434 2.595 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@]2(CCCOC2)O1 ZINC000330104667 510916826 /nfs/dbraw/zinc/91/68/26/510916826.db2.gz HRXLEFGXIZFZIR-MKSNKDDYSA-N 1 2 367.490 2.706 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@]2(CCCOC2)O1 ZINC000330104667 510916829 /nfs/dbraw/zinc/91/68/29/510916829.db2.gz HRXLEFGXIZFZIR-MKSNKDDYSA-N 1 2 367.490 2.706 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330125061 510920926 /nfs/dbraw/zinc/92/09/26/510920926.db2.gz LSLYFDVERRTDCE-LQWHRVPQSA-N 1 2 371.481 2.592 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330125061 510920930 /nfs/dbraw/zinc/92/09/30/510920930.db2.gz LSLYFDVERRTDCE-LQWHRVPQSA-N 1 2 371.481 2.592 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@@H]1CCCc3c[nH]nc31)C2 ZINC000330130815 510921898 /nfs/dbraw/zinc/92/18/98/510921898.db2.gz KPXUQLNDEJRTKF-UONOGXRCSA-N 1 2 356.474 2.800 20 30 FFEDLO COc1cc(Cl)c(Cl)cc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000330144717 510924450 /nfs/dbraw/zinc/92/44/50/510924450.db2.gz ZRRDPPLZFVAPGX-TZMCWYRMSA-N 1 2 360.241 2.562 20 30 FFEDLO COc1cc(Cl)c(Cl)cc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000330144717 510924451 /nfs/dbraw/zinc/92/44/51/510924451.db2.gz ZRRDPPLZFVAPGX-TZMCWYRMSA-N 1 2 360.241 2.562 20 30 FFEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NCc2ccccc2F)C[C@]2(CCOC2)O1 ZINC000330160889 510926932 /nfs/dbraw/zinc/92/69/32/510926932.db2.gz SLFUQWHSDNTHBU-OGWOLHLISA-N 1 2 350.434 2.941 20 30 FFEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)NCc2ccccc2F)C[C@]2(CCOC2)O1 ZINC000330160889 510926937 /nfs/dbraw/zinc/92/69/37/510926937.db2.gz SLFUQWHSDNTHBU-OGWOLHLISA-N 1 2 350.434 2.941 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)COc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000270700032 510955223 /nfs/dbraw/zinc/95/52/23/510955223.db2.gz LXUOSWYYOXHVCJ-AZUAARDMSA-N 1 2 371.387 2.777 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)COc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000270700032 510955228 /nfs/dbraw/zinc/95/52/28/510955228.db2.gz LXUOSWYYOXHVCJ-AZUAARDMSA-N 1 2 371.387 2.777 20 30 FFEDLO C=CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000282428026 510972648 /nfs/dbraw/zinc/97/26/48/510972648.db2.gz YLFQQPWTBYTONV-UHFFFAOYSA-N 1 2 361.453 2.556 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2cnc(C(C)(C)C)nc2)CCO1 ZINC000330356468 510972946 /nfs/dbraw/zinc/97/29/46/510972946.db2.gz RPVATEBMJJFHSE-WFASDCNBSA-N 1 2 358.446 2.754 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2nc(C)no2)c(OC)c1 ZINC000285881270 511016753 /nfs/dbraw/zinc/01/67/53/511016753.db2.gz ZNCBEYAUGIHLLB-IRXDYDNUSA-N 1 2 373.453 2.692 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2nc(C)no2)c(OC)c1 ZINC000285881270 511016757 /nfs/dbraw/zinc/01/67/57/511016757.db2.gz ZNCBEYAUGIHLLB-IRXDYDNUSA-N 1 2 373.453 2.692 20 30 FFEDLO N#CCCOCC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000294307937 511021734 /nfs/dbraw/zinc/02/17/34/511021734.db2.gz XHJIOVLTHIKZAQ-UHFFFAOYSA-N 1 2 354.204 2.646 20 30 FFEDLO N#CCCOCC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000294307937 511021738 /nfs/dbraw/zinc/02/17/38/511021738.db2.gz XHJIOVLTHIKZAQ-UHFFFAOYSA-N 1 2 354.204 2.646 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000279241645 511023387 /nfs/dbraw/zinc/02/33/87/511023387.db2.gz SOXNZLKANTYXTO-UIBIWLFHSA-N 1 2 364.511 2.607 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000279241645 511023395 /nfs/dbraw/zinc/02/33/95/511023395.db2.gz SOXNZLKANTYXTO-UIBIWLFHSA-N 1 2 364.511 2.607 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCOC[C@@H]2CC(F)F)c(OC)c1 ZINC000286489141 511025538 /nfs/dbraw/zinc/02/55/38/511025538.db2.gz OVADEZQKVOKVCQ-HOTGVXAUSA-N 1 2 371.424 2.519 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@@H]2CC(F)F)c(OC)c1 ZINC000286489141 511025546 /nfs/dbraw/zinc/02/55/46/511025546.db2.gz OVADEZQKVOKVCQ-HOTGVXAUSA-N 1 2 371.424 2.519 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1C ZINC000286532369 511027685 /nfs/dbraw/zinc/02/76/85/511027685.db2.gz NUOXUBZHDDLBLA-HOCLYGCPSA-N 1 2 358.404 2.966 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1C ZINC000286532369 511027687 /nfs/dbraw/zinc/02/76/87/511027687.db2.gz NUOXUBZHDDLBLA-HOCLYGCPSA-N 1 2 358.404 2.966 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270969524 511042337 /nfs/dbraw/zinc/04/23/37/511042337.db2.gz WCUXHSOQZQOCNY-OAHLLOKOSA-N 1 2 359.495 2.600 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270969524 511042342 /nfs/dbraw/zinc/04/23/42/511042342.db2.gz WCUXHSOQZQOCNY-OAHLLOKOSA-N 1 2 359.495 2.600 20 30 FFEDLO C[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000361450965 511052005 /nfs/dbraw/zinc/05/20/05/511052005.db2.gz QUGXLDSIFLAADC-QGZVKYPTSA-N 1 2 370.497 2.577 20 30 FFEDLO CC(=O)c1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000331496397 511066059 /nfs/dbraw/zinc/06/60/59/511066059.db2.gz YLDBCTXDWLJTDE-QVKFZJNVSA-N 1 2 355.482 2.733 20 30 FFEDLO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000331496397 511066064 /nfs/dbraw/zinc/06/60/64/511066064.db2.gz YLDBCTXDWLJTDE-QVKFZJNVSA-N 1 2 355.482 2.733 20 30 FFEDLO C#C[C@H](NC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)C(C)(C)C ZINC000288404930 511074469 /nfs/dbraw/zinc/07/44/69/511074469.db2.gz MLUVFXONBHSFFW-KRWDZBQOSA-N 1 2 351.406 2.977 20 30 FFEDLO CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000364870136 511126325 /nfs/dbraw/zinc/12/63/25/511126325.db2.gz HULRLIRXIYWXJU-UHFFFAOYSA-N 1 2 350.260 2.765 20 30 FFEDLO CCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000364870136 511126330 /nfs/dbraw/zinc/12/63/30/511126330.db2.gz HULRLIRXIYWXJU-UHFFFAOYSA-N 1 2 350.260 2.765 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N2CCCc3ccccc32)n1 ZINC000279650175 511161742 /nfs/dbraw/zinc/16/17/42/511161742.db2.gz BIWAGXBULANTFB-KRWDZBQOSA-N 1 2 350.466 2.706 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N2CCCc3ccccc32)n1 ZINC000279650175 511161747 /nfs/dbraw/zinc/16/17/47/511161747.db2.gz BIWAGXBULANTFB-KRWDZBQOSA-N 1 2 350.466 2.706 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)n1 ZINC000279672142 511171982 /nfs/dbraw/zinc/17/19/82/511171982.db2.gz FJUBGWPLTPZJOB-RMJOCGACSA-N 1 2 368.525 2.812 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)n1 ZINC000279672142 511171987 /nfs/dbraw/zinc/17/19/87/511171987.db2.gz FJUBGWPLTPZJOB-RMJOCGACSA-N 1 2 368.525 2.812 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N[C@@H](C)c2ccccc2OC)n1 ZINC000279726947 511191018 /nfs/dbraw/zinc/19/10/18/511191018.db2.gz MQKUYQRWGITLCW-DLBZAZTESA-N 1 2 368.481 2.613 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N[C@@H](C)c2ccccc2OC)n1 ZINC000279726947 511191021 /nfs/dbraw/zinc/19/10/21/511191021.db2.gz MQKUYQRWGITLCW-DLBZAZTESA-N 1 2 368.481 2.613 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3c[nH]c4nccnc34)CC2)c(Cl)c1 ZINC000291662469 511287418 /nfs/dbraw/zinc/28/74/18/511287418.db2.gz VLSCKHLTFUNMRS-UHFFFAOYSA-N 1 2 352.829 2.805 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](c3ccncc3)C2)C1=O ZINC000298473121 511296135 /nfs/dbraw/zinc/29/61/35/511296135.db2.gz ITMLBDPVRBROAN-IAGOWNOFSA-N 1 2 352.463 3.000 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](c3ccncc3)C2)C1=O ZINC000298473121 511296139 /nfs/dbraw/zinc/29/61/39/511296139.db2.gz ITMLBDPVRBROAN-IAGOWNOFSA-N 1 2 352.463 3.000 20 30 FFEDLO Cc1cccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C#N)[NH+]2CCOCC2)c1 ZINC000298496972 511304394 /nfs/dbraw/zinc/30/43/94/511304394.db2.gz ZVQUJPJJMZBXNZ-GOSISDBHSA-N 1 2 367.409 2.655 20 30 FFEDLO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2csc(C)n2)CC1 ZINC000283618885 511437673 /nfs/dbraw/zinc/43/76/73/511437673.db2.gz WAGUTICJJZOPCQ-UHFFFAOYSA-N 1 2 369.498 2.546 20 30 FFEDLO C#CCOc1cc(F)ccc1NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000363271453 511455054 /nfs/dbraw/zinc/45/50/54/511455054.db2.gz OPKMLMNQGKBZRU-UHFFFAOYSA-N 1 2 365.368 2.740 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)nc1 ZINC000292096154 511463357 /nfs/dbraw/zinc/46/33/57/511463357.db2.gz FXVPQHFRXPKZBD-CQSZACIVSA-N 1 2 365.349 2.656 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)nc1 ZINC000292096154 511463363 /nfs/dbraw/zinc/46/33/63/511463363.db2.gz FXVPQHFRXPKZBD-CQSZACIVSA-N 1 2 365.349 2.656 20 30 FFEDLO C[C@H]1CC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1(C)C ZINC000273575861 511539108 /nfs/dbraw/zinc/53/91/08/511539108.db2.gz CZPRRMMGOPFGTK-ZFWWWQNUSA-N 1 2 352.438 2.880 20 30 FFEDLO C[C@H]1CC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1(C)C ZINC000273575861 511539114 /nfs/dbraw/zinc/53/91/14/511539114.db2.gz CZPRRMMGOPFGTK-ZFWWWQNUSA-N 1 2 352.438 2.880 20 30 FFEDLO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000296011501 511588092 /nfs/dbraw/zinc/58/80/92/511588092.db2.gz RBNKQZJGKUKMLE-GJZGRUSLSA-N 1 2 374.514 2.655 20 30 FFEDLO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000296009959 511588580 /nfs/dbraw/zinc/58/85/80/511588580.db2.gz RBNKQZJGKUKMLE-CABCVRRESA-N 1 2 374.514 2.655 20 30 FFEDLO CC[C@H]1CC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000292533641 511633782 /nfs/dbraw/zinc/63/37/82/511633782.db2.gz XGKOYVZFKKSPIZ-HOTGVXAUSA-N 1 2 370.497 2.840 20 30 FFEDLO CC[C@H]1CC[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000292533641 511633788 /nfs/dbraw/zinc/63/37/88/511633788.db2.gz XGKOYVZFKKSPIZ-HOTGVXAUSA-N 1 2 370.497 2.840 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281043449 511699730 /nfs/dbraw/zinc/69/97/30/511699730.db2.gz XJBSUJFDSFAXRB-DYESRHJHSA-N 1 2 373.460 2.541 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000363782912 511765111 /nfs/dbraw/zinc/76/51/11/511765111.db2.gz SKUJXFOSFNIRFB-UHFFFAOYSA-N 1 2 360.408 2.800 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1=O ZINC000281235218 511770345 /nfs/dbraw/zinc/77/03/45/511770345.db2.gz FRPFGSFNZNQMDL-CJNGLKHVSA-N 1 2 358.417 2.964 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1=O ZINC000281235218 511770348 /nfs/dbraw/zinc/77/03/48/511770348.db2.gz FRPFGSFNZNQMDL-CJNGLKHVSA-N 1 2 358.417 2.964 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1=O ZINC000281235229 511770600 /nfs/dbraw/zinc/77/06/00/511770600.db2.gz FRPFGSFNZNQMDL-XJKSGUPXSA-N 1 2 358.417 2.964 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1=O ZINC000281235229 511770603 /nfs/dbraw/zinc/77/06/03/511770603.db2.gz FRPFGSFNZNQMDL-XJKSGUPXSA-N 1 2 358.417 2.964 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2coc(-c3ccc(OCC)cc3)n2)C1=O ZINC000281370274 511820991 /nfs/dbraw/zinc/82/09/91/511820991.db2.gz OLDWBVFRDUQJGE-GOSISDBHSA-N 1 2 355.438 2.959 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2coc(-c3ccc(OCC)cc3)n2)C1=O ZINC000281370274 511820996 /nfs/dbraw/zinc/82/09/96/511820996.db2.gz OLDWBVFRDUQJGE-GOSISDBHSA-N 1 2 355.438 2.959 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1=O ZINC000281527647 511879541 /nfs/dbraw/zinc/87/95/41/511879541.db2.gz ZTOIQJCPXQJQMP-CJNGLKHVSA-N 1 2 358.417 2.964 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1=O ZINC000281527647 511879546 /nfs/dbraw/zinc/87/95/46/511879546.db2.gz ZTOIQJCPXQJQMP-CJNGLKHVSA-N 1 2 358.417 2.964 20 30 FFEDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)ccc1C#N ZINC000327720217 511880963 /nfs/dbraw/zinc/88/09/63/511880963.db2.gz IEHAENVYWOEIOV-IBGZPJMESA-N 1 2 355.463 2.544 20 30 FFEDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)ccc1C#N ZINC000327720217 511880970 /nfs/dbraw/zinc/88/09/70/511880970.db2.gz IEHAENVYWOEIOV-IBGZPJMESA-N 1 2 355.463 2.544 20 30 FFEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000328603535 511890626 /nfs/dbraw/zinc/89/06/26/511890626.db2.gz HVTBMGANBGRTOX-LSDHHAIUSA-N 1 2 364.515 2.709 20 30 FFEDLO CCc1ccccc1NC(=O)CO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000296772130 511891722 /nfs/dbraw/zinc/89/17/22/511891722.db2.gz DAGWDAAKTXPUMI-UHFFFAOYSA-N 1 2 357.410 2.542 20 30 FFEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)NC1CCOCC1 ZINC000328630790 511902028 /nfs/dbraw/zinc/90/20/28/511902028.db2.gz JUKBGFLTKGNFRU-ZFWWWQNUSA-N 1 2 355.479 2.685 20 30 FFEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)NC1CCOCC1 ZINC000328630790 511902032 /nfs/dbraw/zinc/90/20/32/511902032.db2.gz JUKBGFLTKGNFRU-ZFWWWQNUSA-N 1 2 355.479 2.685 20 30 FFEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCN(C3CC3)C(=O)C2)sc2c1CCCC2 ZINC000328656065 511909810 /nfs/dbraw/zinc/90/98/10/511909810.db2.gz NJOYIQCGXWGQAC-UHFFFAOYSA-N 1 2 372.494 2.783 20 30 FFEDLO N#Cc1c(NC(=O)CC[N@H+]2CCN(C3CC3)C(=O)C2)sc2c1CCCC2 ZINC000328656065 511909817 /nfs/dbraw/zinc/90/98/17/511909817.db2.gz NJOYIQCGXWGQAC-UHFFFAOYSA-N 1 2 372.494 2.783 20 30 FFEDLO O=C(Nc1nccn1-c1ccccc1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000328762867 511928332 /nfs/dbraw/zinc/92/83/32/511928332.db2.gz ZOMYSKATUBYJFP-SFHVURJKSA-N 1 2 369.469 2.605 20 30 FFEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000328767963 511929732 /nfs/dbraw/zinc/92/97/32/511929732.db2.gz FWWWDBFSFQWMBI-XHBSWPGZSA-N 1 2 351.397 2.903 20 30 FFEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000328767963 511929735 /nfs/dbraw/zinc/92/97/35/511929735.db2.gz FWWWDBFSFQWMBI-XHBSWPGZSA-N 1 2 351.397 2.903 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCOC3(CCSCC3)C2)C1 ZINC000328884042 511944767 /nfs/dbraw/zinc/94/47/67/511944767.db2.gz YJAULFKUEMDBNH-HUUCEWRRSA-N 1 2 364.515 2.568 20 30 FFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000274834863 511956737 /nfs/dbraw/zinc/95/67/37/511956737.db2.gz DBAMJYUCVBZMJO-GFCCVEGCSA-N 1 2 350.831 2.503 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)C1CCOCC1 ZINC000328993847 511963588 /nfs/dbraw/zinc/96/35/88/511963588.db2.gz DWCVIPOHNSXCCK-URKNILKWSA-N 1 2 374.485 2.634 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000293435891 511964748 /nfs/dbraw/zinc/96/47/48/511964748.db2.gz ABGCXURIXLYCPQ-LLVKDONJSA-N 1 2 361.808 2.557 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000293435891 511964755 /nfs/dbraw/zinc/96/47/55/511964755.db2.gz ABGCXURIXLYCPQ-LLVKDONJSA-N 1 2 361.808 2.557 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000329045803 511973470 /nfs/dbraw/zinc/97/34/70/511973470.db2.gz UVHFSYVCWMGMPY-OIISXLGYSA-N 1 2 350.507 2.993 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000329045803 511973475 /nfs/dbraw/zinc/97/34/75/511973475.db2.gz UVHFSYVCWMGMPY-OIISXLGYSA-N 1 2 350.507 2.993 20 30 FFEDLO CN1CC[N@H+](Cc2cn3ccccc3c2C#N)C[C@@H]1c1nc(C2CC2)no1 ZINC000285031089 511975729 /nfs/dbraw/zinc/97/57/29/511975729.db2.gz VMXAPAJIHUTHCH-GOSISDBHSA-N 1 2 362.437 2.560 20 30 FFEDLO CN1CC[N@@H+](Cc2cn3ccccc3c2C#N)C[C@@H]1c1nc(C2CC2)no1 ZINC000285031089 511975734 /nfs/dbraw/zinc/97/57/34/511975734.db2.gz VMXAPAJIHUTHCH-GOSISDBHSA-N 1 2 362.437 2.560 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)[C@@H]1C ZINC000293508738 511991196 /nfs/dbraw/zinc/99/11/96/511991196.db2.gz UYHAYMDSJGSBNQ-BZUAXINKSA-N 1 2 370.497 2.696 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)[C@@H]1C ZINC000293508738 511991200 /nfs/dbraw/zinc/99/12/00/511991200.db2.gz UYHAYMDSJGSBNQ-BZUAXINKSA-N 1 2 370.497 2.696 20 30 FFEDLO Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3CCO[C@@H](C(C)C)C3)CC2)s1 ZINC000329144302 511992473 /nfs/dbraw/zinc/99/24/73/511992473.db2.gz MWBOAHDJBVGDQY-NVXWUHKLSA-N 1 2 366.531 2.687 20 30 FFEDLO O=C(CNC(=O)NC1CCCCC1)N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000329158236 511994791 /nfs/dbraw/zinc/99/47/91/511994791.db2.gz CTYVBNRBMAHWMV-KRWDZBQOSA-N 1 2 373.501 2.788 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000281888536 512001060 /nfs/dbraw/zinc/00/10/60/512001060.db2.gz WBQBLCMWZQLNIR-JQHSSLGASA-N 1 2 372.444 2.929 20 30 FFEDLO CC(C)[C@@H]1CCCN1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329229389 512009052 /nfs/dbraw/zinc/00/90/52/512009052.db2.gz JHIJEQLUEJMGLQ-JTDSTZFVSA-N 1 2 373.501 2.649 20 30 FFEDLO C[C@H](NC(=O)N1CCOC[C@@H]1[C@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000329247667 512012766 /nfs/dbraw/zinc/01/27/66/512012766.db2.gz WHFLFWJEXYFEMV-KFKAGJAMSA-N 1 2 370.453 2.727 20 30 FFEDLO Cc1cc(NC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c[nH+]c1N1CCCC[C@H]1C ZINC000329361274 512033563 /nfs/dbraw/zinc/03/35/63/512033563.db2.gz YITDWFCTZGIUND-GDBMZVCRSA-N 1 2 371.485 2.667 20 30 FFEDLO C#CCOc1ccc(CNC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1 ZINC000297170509 512046904 /nfs/dbraw/zinc/04/69/04/512046904.db2.gz VRRMXFIGMZTYAC-KRWDZBQOSA-N 1 2 352.438 2.725 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](Cc2nc3ccccc3c(=O)[nH]2)[C@@H](C)CC)C1=O ZINC000282031603 512052463 /nfs/dbraw/zinc/05/24/63/512052463.db2.gz QDGNUVNTPLNZLW-WMLDXEAASA-N 1 2 354.454 2.723 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](Cc2nc3ccccc3c(=O)[nH]2)[C@@H](C)CC)C1=O ZINC000282031603 512052467 /nfs/dbraw/zinc/05/24/67/512052467.db2.gz QDGNUVNTPLNZLW-WMLDXEAASA-N 1 2 354.454 2.723 20 30 FFEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ncc(C4CCCCC4)s3)C[C@H]21 ZINC000329476818 512054879 /nfs/dbraw/zinc/05/48/79/512054879.db2.gz UFPNSUFJVTYIGE-ZIAGYGMSSA-N 1 2 350.488 2.751 20 30 FFEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ncc(C4CCCCC4)s3)C[C@H]21 ZINC000329476818 512054883 /nfs/dbraw/zinc/05/48/83/512054883.db2.gz UFPNSUFJVTYIGE-ZIAGYGMSSA-N 1 2 350.488 2.751 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)NC(=O)N[C@@H]3CCCC[C@H]3C)C2)[nH]1 ZINC000329500459 512058325 /nfs/dbraw/zinc/05/83/25/512058325.db2.gz YJGFXWHGPLFEEP-BPLDGKMQSA-N 1 2 362.478 2.742 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)NC(=O)N[C@@H]3CCCC[C@H]3C)C2)[nH]1 ZINC000329500459 512058330 /nfs/dbraw/zinc/05/83/30/512058330.db2.gz YJGFXWHGPLFEEP-BPLDGKMQSA-N 1 2 362.478 2.742 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)NC(=O)N[C@@H]3CCCC[C@H]3C)C2)n1 ZINC000329500459 512058333 /nfs/dbraw/zinc/05/83/33/512058333.db2.gz YJGFXWHGPLFEEP-BPLDGKMQSA-N 1 2 362.478 2.742 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)NC(=O)N[C@@H]3CCCC[C@H]3C)C2)n1 ZINC000329500459 512058339 /nfs/dbraw/zinc/05/83/39/512058339.db2.gz YJGFXWHGPLFEEP-BPLDGKMQSA-N 1 2 362.478 2.742 20 30 FFEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)NC(=O)N[C@@H]3CCCC[C@H]3C)C2)n[nH]1 ZINC000329500459 512058344 /nfs/dbraw/zinc/05/83/44/512058344.db2.gz YJGFXWHGPLFEEP-BPLDGKMQSA-N 1 2 362.478 2.742 20 30 FFEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)NC(=O)N[C@@H]3CCCC[C@H]3C)C2)n[nH]1 ZINC000329500459 512058346 /nfs/dbraw/zinc/05/83/46/512058346.db2.gz YJGFXWHGPLFEEP-BPLDGKMQSA-N 1 2 362.478 2.742 20 30 FFEDLO CN(C)C(=O)N1CCC(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)CC1 ZINC000329497732 512058484 /nfs/dbraw/zinc/05/84/84/512058484.db2.gz XRKPNHLLEYFOEI-UHFFFAOYSA-N 1 2 355.442 2.927 20 30 FFEDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCOCC2(CCC2)C1 ZINC000329528274 512064769 /nfs/dbraw/zinc/06/47/69/512064769.db2.gz SOCBFUQCJMLQJG-UHFFFAOYSA-N 1 2 358.417 2.928 20 30 FFEDLO O=C(C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1)N[C@H]1CCCc2ccccc21 ZINC000329610750 512076613 /nfs/dbraw/zinc/07/66/13/512076613.db2.gz CCAXDTGFTOPOOQ-INIZCTEOSA-N 1 2 355.442 2.724 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC(N2CCc3ccccc32)CC1 ZINC000329635793 512080787 /nfs/dbraw/zinc/08/07/87/512080787.db2.gz XVAZAKODUIDUSC-MRXNPFEDSA-N 1 2 365.481 2.708 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC(N2CCc3ccccc32)CC1 ZINC000329635793 512080790 /nfs/dbraw/zinc/08/07/90/512080790.db2.gz XVAZAKODUIDUSC-MRXNPFEDSA-N 1 2 365.481 2.708 20 30 FFEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000329892611 512105623 /nfs/dbraw/zinc/10/56/23/512105623.db2.gz AHRGSMVFANHZCF-AWEZNQCLSA-N 1 2 367.453 2.778 20 30 FFEDLO C[C@H]1CC[C@H](NC(=O)N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)CC1 ZINC000329893170 512105792 /nfs/dbraw/zinc/10/57/92/512105792.db2.gz AMZYRXYCLKXJOE-DKIMLUQUSA-N 1 2 365.497 2.757 20 30 FFEDLO C[C@H]1CC[C@H](NC(=O)N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)CC1 ZINC000329893170 512105793 /nfs/dbraw/zinc/10/57/93/512105793.db2.gz AMZYRXYCLKXJOE-DKIMLUQUSA-N 1 2 365.497 2.757 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ncccc2OCCCC#N)C1 ZINC000364441886 512109365 /nfs/dbraw/zinc/10/93/65/512109365.db2.gz GJLCOOQMWJJTLJ-AWEZNQCLSA-N 1 2 354.414 2.519 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3ccsc3)CC2)nc1 ZINC000367376619 512469881 /nfs/dbraw/zinc/46/98/81/512469881.db2.gz CCPDPRZXYHUICO-UHFFFAOYSA-N 1 2 361.492 2.668 20 30 FFEDLO Cc1[nH+]c2ccc(C(=O)N3CCC[C@@]4(CCCCO4)[C@@H]3C#N)cc2n1C ZINC000373760932 512492059 /nfs/dbraw/zinc/49/20/59/512492059.db2.gz YHPBBERXCBMFNR-ICSRJNTNSA-N 1 2 352.438 2.949 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cn(C)nc2-c2cccs2)n1 ZINC000376633938 512909734 /nfs/dbraw/zinc/90/97/34/512909734.db2.gz IBUJPBAZNOYALW-UHFFFAOYSA-N 1 2 369.494 2.627 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cn(C)nc2-c2cccs2)n1 ZINC000376633938 512909739 /nfs/dbraw/zinc/90/97/39/512909739.db2.gz IBUJPBAZNOYALW-UHFFFAOYSA-N 1 2 369.494 2.627 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368394385 512929146 /nfs/dbraw/zinc/92/91/46/512929146.db2.gz VIZJZTMHCTZKAX-HOCLYGCPSA-N 1 2 374.510 2.923 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368394385 512929151 /nfs/dbraw/zinc/92/91/51/512929151.db2.gz VIZJZTMHCTZKAX-HOCLYGCPSA-N 1 2 374.510 2.923 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3ccncn3)C2)c(C#N)c1C ZINC000372580568 512953719 /nfs/dbraw/zinc/95/37/19/512953719.db2.gz BWMGGXHUAQBVEY-HIFRSBDPSA-N 1 2 353.426 2.765 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3ccncn3)C2)c(C#N)c1C ZINC000372580568 512953722 /nfs/dbraw/zinc/95/37/22/512953722.db2.gz BWMGGXHUAQBVEY-HIFRSBDPSA-N 1 2 353.426 2.765 20 30 FFEDLO COc1c(O)c(C[NH+]2CCC(C#N)(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000370535081 512983996 /nfs/dbraw/zinc/98/39/96/512983996.db2.gz WVGUQOCQNWNJKP-UHFFFAOYSA-N 1 2 368.393 2.761 20 30 FFEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000370577290 513000301 /nfs/dbraw/zinc/00/03/01/513000301.db2.gz FHGLKUGRNBGTJP-UHFFFAOYSA-N 1 2 361.405 2.613 20 30 FFEDLO C[C@H]1CC(=O)CC[C@@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374896061 513060437 /nfs/dbraw/zinc/06/04/37/513060437.db2.gz OCGBYMDMZCHEHQ-LPHOPBHVSA-N 1 2 353.466 2.666 20 30 FFEDLO CCOc1ccc(C#N)cc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000368781140 513100544 /nfs/dbraw/zinc/10/05/44/513100544.db2.gz PHERXWPXGVGMGI-UHFFFAOYSA-N 1 2 353.426 2.854 20 30 FFEDLO COC(=O)c1csc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000450359811 513159122 /nfs/dbraw/zinc/15/91/22/513159122.db2.gz XYMAKOKVYBQSEN-UHFFFAOYSA-N 1 2 357.435 2.845 20 30 FFEDLO Cc1cc(-c2nnc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)o2)c(C)o1 ZINC000428816129 513199843 /nfs/dbraw/zinc/19/98/43/513199843.db2.gz HNRUBHCCISYBOU-HNNXBMFYSA-N 1 2 365.393 2.866 20 30 FFEDLO Cc1cc(-c2nnc(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)o2)c(C)o1 ZINC000428816129 513199850 /nfs/dbraw/zinc/19/98/50/513199850.db2.gz HNRUBHCCISYBOU-HNNXBMFYSA-N 1 2 365.393 2.866 20 30 FFEDLO CC[C@H](Cc1ccccc1C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000424625044 513211308 /nfs/dbraw/zinc/21/13/08/513211308.db2.gz GSCVYZFMJLXBGV-LJQANCHMSA-N 1 2 357.498 2.638 20 30 FFEDLO CC1(C)C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000428925791 513224474 /nfs/dbraw/zinc/22/44/74/513224474.db2.gz AQAQLWWZMWFHJC-CQSZACIVSA-N 1 2 355.360 2.929 20 30 FFEDLO CC1(C)C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000428925791 513224481 /nfs/dbraw/zinc/22/44/81/513224481.db2.gz AQAQLWWZMWFHJC-CQSZACIVSA-N 1 2 355.360 2.929 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1cn2c(n1)CCCC2 ZINC000429542932 513402113 /nfs/dbraw/zinc/40/21/13/513402113.db2.gz RYBVXQRVGQLICN-LJQANCHMSA-N 1 2 355.482 2.820 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)Cc1cn2c(n1)CCCC2 ZINC000429542932 513402123 /nfs/dbraw/zinc/40/21/23/513402123.db2.gz RYBVXQRVGQLICN-LJQANCHMSA-N 1 2 355.482 2.820 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000429542932 513402130 /nfs/dbraw/zinc/40/21/30/513402130.db2.gz RYBVXQRVGQLICN-LJQANCHMSA-N 1 2 355.482 2.820 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000425109774 513415358 /nfs/dbraw/zinc/41/53/58/513415358.db2.gz MXIAOEXRDVEOPS-MRXNPFEDSA-N 1 2 364.449 2.619 20 30 FFEDLO N#Cc1cnc2ccccc2c1N1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413110457 513453634 /nfs/dbraw/zinc/45/36/34/513453634.db2.gz UTGPWPSZSLOIOU-UHFFFAOYSA-N 1 2 371.448 2.797 20 30 FFEDLO N#Cc1cnc2ccccc2c1N1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000413110457 513453643 /nfs/dbraw/zinc/45/36/43/513453643.db2.gz UTGPWPSZSLOIOU-UHFFFAOYSA-N 1 2 371.448 2.797 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc4c(c3)CCN4)CC2)cc1 ZINC000415873030 513457879 /nfs/dbraw/zinc/45/78/79/513457879.db2.gz XQUMHOJEPZMRGB-UHFFFAOYSA-N 1 2 361.449 2.876 20 30 FFEDLO Cc1cc(N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000425241516 513469191 /nfs/dbraw/zinc/46/91/91/513469191.db2.gz NKWWZIVWFVOUEY-OAHLLOKOSA-N 1 2 374.366 2.915 20 30 FFEDLO Cc1cc(NC[C@H](CO)Cc2ccccc2Br)c(C#N)c[nH+]1 ZINC000425262063 513481412 /nfs/dbraw/zinc/48/14/12/513481412.db2.gz QTJOHCODWUGQLL-CYBMUJFWSA-N 1 2 360.255 2.709 20 30 FFEDLO C[C@@H](C#N)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000425296200 513494106 /nfs/dbraw/zinc/49/41/06/513494106.db2.gz RMNJYXCWTZQBKQ-ZDUSSCGKSA-N 1 2 361.243 2.834 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451253680 513625310 /nfs/dbraw/zinc/62/53/10/513625310.db2.gz APLUMAUFOGDHCV-PLMTUMEDSA-N 1 2 373.472 2.518 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451253680 513625314 /nfs/dbraw/zinc/62/53/14/513625314.db2.gz APLUMAUFOGDHCV-PLMTUMEDSA-N 1 2 373.472 2.518 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000425795342 513750954 /nfs/dbraw/zinc/75/09/54/513750954.db2.gz IGBJBCZAOOANOA-KSSFIOAISA-N 1 2 367.405 2.520 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451436516 513751456 /nfs/dbraw/zinc/75/14/56/513751456.db2.gz RZPJHUVFWKATIQ-SJCJKPOMSA-N 1 2 369.437 2.579 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451436516 513751461 /nfs/dbraw/zinc/75/14/61/513751461.db2.gz RZPJHUVFWKATIQ-SJCJKPOMSA-N 1 2 369.437 2.579 20 30 FFEDLO COc1ccc([C@H]([NH2+][C@H](C)C(=O)NC2(C#N)CCC2)c2ccco2)cc1 ZINC000419288974 513765777 /nfs/dbraw/zinc/76/57/77/513765777.db2.gz PVYYAONPRZBIBB-KDOFPFPSSA-N 1 2 353.422 2.918 20 30 FFEDLO CC(=O)c1ncc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000413696088 513770862 /nfs/dbraw/zinc/77/08/62/513770862.db2.gz OBPNXBPFMANCOI-UHFFFAOYSA-N 1 2 368.462 2.634 20 30 FFEDLO C[C@@H](C#N)S(=O)(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000416450146 513777538 /nfs/dbraw/zinc/77/75/38/513777538.db2.gz XFNJTUIXTIURIK-HNNXBMFYSA-N 1 2 367.474 2.616 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)c(O)c1)c1ccc(F)cc1 ZINC000442903702 513810166 /nfs/dbraw/zinc/81/01/66/513810166.db2.gz TZHINIUTCYBUER-QGZVFWFLSA-N 1 2 350.353 2.656 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nnc(-c2ccc(Cl)s2)o1 ZINC000414147322 513989035 /nfs/dbraw/zinc/98/90/35/513989035.db2.gz NFYZLAOLHUWFQP-VIFPVBQESA-N 1 2 358.876 2.750 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nnc(-c2ccc(Cl)s2)o1 ZINC000414147322 513989042 /nfs/dbraw/zinc/98/90/42/513989042.db2.gz NFYZLAOLHUWFQP-VIFPVBQESA-N 1 2 358.876 2.750 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(NC(=O)C2CCCCC2)cc1 ZINC000414154735 513992581 /nfs/dbraw/zinc/99/25/81/513992581.db2.gz UERDCMXXBSNVLD-GOSISDBHSA-N 1 2 359.470 2.791 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(NC(=O)C2CCCCC2)cc1 ZINC000414154735 513992588 /nfs/dbraw/zinc/99/25/88/513992588.db2.gz UERDCMXXBSNVLD-GOSISDBHSA-N 1 2 359.470 2.791 20 30 FFEDLO Cc1cccc2c1O[C@H](C(=O)N1CC[NH+](Cc3ccc(C#N)cc3)CC1)C2 ZINC000449039111 514044906 /nfs/dbraw/zinc/04/49/06/514044906.db2.gz AZCVTKASTWWOKO-FQEVSTJZSA-N 1 2 361.445 2.515 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000443957723 514082284 /nfs/dbraw/zinc/08/22/84/514082284.db2.gz LKGCRZWAIBPKFD-UHFFFAOYSA-N 1 2 368.462 2.893 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000432283016 514147562 /nfs/dbraw/zinc/14/75/62/514147562.db2.gz DVFGCICUNRVSKX-SFHVURJKSA-N 1 2 366.446 3.000 20 30 FFEDLO CS(=O)(=O)N(Cc1c[nH+]cn1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000437616896 514195674 /nfs/dbraw/zinc/19/56/74/514195674.db2.gz XHOFSYBPRPKNIS-UHFFFAOYSA-N 1 2 366.446 2.769 20 30 FFEDLO CC(C)C[N@H+](Cc1nnnn1CC1CCOCC1)Cc1ccc(C#N)cc1 ZINC000444604014 514270970 /nfs/dbraw/zinc/27/09/70/514270970.db2.gz YWCAFMYEDPAMAQ-UHFFFAOYSA-N 1 2 368.485 2.630 20 30 FFEDLO CC(C)C[N@@H+](Cc1nnnn1CC1CCOCC1)Cc1ccc(C#N)cc1 ZINC000444604014 514270975 /nfs/dbraw/zinc/27/09/75/514270975.db2.gz YWCAFMYEDPAMAQ-UHFFFAOYSA-N 1 2 368.485 2.630 20 30 FFEDLO C=CCNc1ncc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)s1 ZINC000432932325 514326626 /nfs/dbraw/zinc/32/66/26/514326626.db2.gz HQOUCXHXQRRTJM-CQSZACIVSA-N 1 2 372.494 2.808 20 30 FFEDLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CCOc1ccc(C#N)cc1 ZINC000438308659 514351901 /nfs/dbraw/zinc/35/19/01/514351901.db2.gz VYCPMOWRJQMYOJ-SFHVURJKSA-N 1 2 358.825 2.964 20 30 FFEDLO N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000424165131 514404987 /nfs/dbraw/zinc/40/49/87/514404987.db2.gz DNDSHKVDULOLDW-CVEARBPZSA-N 1 2 358.490 2.580 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@]23CCOC3)c1C#N ZINC000421013666 514438654 /nfs/dbraw/zinc/43/86/54/514438654.db2.gz GHUSBXBDANQPBM-HXUWFJFHSA-N 1 2 356.470 2.895 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@]23CCOC3)c1C#N ZINC000421013666 514438660 /nfs/dbraw/zinc/43/86/60/514438660.db2.gz GHUSBXBDANQPBM-HXUWFJFHSA-N 1 2 356.470 2.895 20 30 FFEDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000428440097 514475651 /nfs/dbraw/zinc/47/56/51/514475651.db2.gz ZDTODDYLOJYMCE-KRWDZBQOSA-N 1 2 359.470 2.820 20 30 FFEDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000428440097 514475656 /nfs/dbraw/zinc/47/56/56/514475656.db2.gz ZDTODDYLOJYMCE-KRWDZBQOSA-N 1 2 359.470 2.820 20 30 FFEDLO N#C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCCCC1 ZINC000450094847 514496162 /nfs/dbraw/zinc/49/61/62/514496162.db2.gz XERNZEQSBPDDJR-HNNXBMFYSA-N 1 2 353.382 2.983 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cnc4ccccc4c3)CC2)cc1 ZINC000439251147 514513683 /nfs/dbraw/zinc/51/36/83/514513683.db2.gz NYYVJDQCBIPYPX-UHFFFAOYSA-N 1 2 370.456 2.993 20 30 FFEDLO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccc(C#N)cc1Cl ZINC000439445608 514553402 /nfs/dbraw/zinc/55/34/02/514553402.db2.gz VXZKZRZUENPWPU-UHFFFAOYSA-N 1 2 353.809 2.940 20 30 FFEDLO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccc(C#N)cc1Cl ZINC000439445608 514553408 /nfs/dbraw/zinc/55/34/08/514553408.db2.gz VXZKZRZUENPWPU-UHFFFAOYSA-N 1 2 353.809 2.940 20 30 FFEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439447432 514554897 /nfs/dbraw/zinc/55/48/97/514554897.db2.gz YGUYXEAZJWXFRE-MRXNPFEDSA-N 1 2 374.916 2.730 20 30 FFEDLO CC(C)(C)CN1CCC[C@H]([NH+]2CCN(c3ccc(C#N)cc3F)CC2)C1=O ZINC000461399107 514594547 /nfs/dbraw/zinc/59/45/47/514594547.db2.gz DSGWPWNADCOANM-IBGZPJMESA-N 1 2 372.488 2.856 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000470842210 514636738 /nfs/dbraw/zinc/63/67/38/514636738.db2.gz RNLODUOJRMLVDS-OAQYLSRUSA-N 1 2 369.428 2.802 20 30 FFEDLO C[C@@H](C(=O)N1CC[NH+](CCOc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000461738245 514715260 /nfs/dbraw/zinc/71/52/60/514715260.db2.gz NICCSLLACVCWNB-GOSISDBHSA-N 1 2 363.461 2.885 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000455797278 514744433 /nfs/dbraw/zinc/74/44/33/514744433.db2.gz VPUUUZGNNFNQJM-LBPRGKRZSA-N 1 2 358.833 2.827 20 30 FFEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000475735046 514785760 /nfs/dbraw/zinc/78/57/60/514785760.db2.gz BBEJZTSJLRREKP-PVPMGCCUSA-N 1 2 369.490 2.605 20 30 FFEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000475735046 514785767 /nfs/dbraw/zinc/78/57/67/514785767.db2.gz BBEJZTSJLRREKP-PVPMGCCUSA-N 1 2 369.490 2.605 20 30 FFEDLO CCN1CCN(C(=O)C[C@H](CC#N)c2ccccc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000476017979 514884340 /nfs/dbraw/zinc/88/43/40/514884340.db2.gz AUKPFSPNBCLQNQ-ROUUACIJSA-N 1 2 351.454 2.702 20 30 FFEDLO C=CCC[C@@H](NC(=O)C(=O)NCc1[nH+]ccn1CC(C)C)c1ccccc1 ZINC000508812681 514902327 /nfs/dbraw/zinc/90/23/27/514902327.db2.gz RDEVTESOHRVPMA-GOSISDBHSA-N 1 2 368.481 2.979 20 30 FFEDLO CC(C)(C)Oc1cccc(C[NH+]2CCN(c3ncccc3C#N)CC2)n1 ZINC000508875397 514932520 /nfs/dbraw/zinc/93/25/20/514932520.db2.gz VOBCLOAOVBFZDN-UHFFFAOYSA-N 1 2 351.454 2.848 20 30 FFEDLO N#Cc1ccncc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000485686461 515141517 /nfs/dbraw/zinc/14/15/17/515141517.db2.gz TUUHZITZOYJRHF-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO N#Cc1ccncc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000485686461 515141526 /nfs/dbraw/zinc/14/15/26/515141526.db2.gz TUUHZITZOYJRHF-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO C=CCN(C(=O)Nc1cc[nH+]cc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000504139013 515229944 /nfs/dbraw/zinc/22/99/44/515229944.db2.gz QJPAYTXAGZHHCB-HNNXBMFYSA-N 1 2 363.425 2.569 20 30 FFEDLO C=CCC[C@H](NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)C(=O)OCC ZINC000456600586 515279304 /nfs/dbraw/zinc/27/93/04/515279304.db2.gz DUHVPWIJAKCKSH-AWEZNQCLSA-N 1 2 365.380 2.637 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000504353336 515285624 /nfs/dbraw/zinc/28/56/24/515285624.db2.gz VUZIBUUEEUTQOI-GOSISDBHSA-N 1 2 365.433 2.819 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000481363593 515304898 /nfs/dbraw/zinc/30/48/98/515304898.db2.gz XXUMNLWXKFUGSO-LPHOPBHVSA-N 1 2 359.470 2.687 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000481363593 515304910 /nfs/dbraw/zinc/30/49/10/515304910.db2.gz XXUMNLWXKFUGSO-LPHOPBHVSA-N 1 2 359.470 2.687 20 30 FFEDLO C=CCN1CC[C@H](N2CC[N@@H+](Cc3ccc(C)nc3)C[C@@H]2[C@@H](C)CC)C1=O ZINC000499569643 515373828 /nfs/dbraw/zinc/37/38/28/515373828.db2.gz CJKAXPTUTFJKOV-DZFGPLHGSA-N 1 2 370.541 2.709 20 30 FFEDLO C=CCN1CC[C@H](N2CC[N@H+](Cc3ccc(C)nc3)C[C@@H]2[C@@H](C)CC)C1=O ZINC000499569643 515373835 /nfs/dbraw/zinc/37/38/35/515373835.db2.gz CJKAXPTUTFJKOV-DZFGPLHGSA-N 1 2 370.541 2.709 20 30 FFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CNc2cccc(C#N)c2)CC1 ZINC000463212504 515398146 /nfs/dbraw/zinc/39/81/46/515398146.db2.gz JDHAZZZQHWBDQA-HNNXBMFYSA-N 1 2 354.479 2.937 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(O)c3Br)CC2)nc1 ZINC000459301279 515457202 /nfs/dbraw/zinc/45/72/02/515457202.db2.gz CKLODFCRLXQSSO-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO C=C(C)CS(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000477492668 515477685 /nfs/dbraw/zinc/47/76/85/515477685.db2.gz FIPFZXYGBUTKTF-DLBZAZTESA-N 1 2 358.454 2.984 20 30 FFEDLO C=C(C)CS(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000477492668 515477690 /nfs/dbraw/zinc/47/76/90/515477690.db2.gz FIPFZXYGBUTKTF-DLBZAZTESA-N 1 2 358.454 2.984 20 30 FFEDLO N#Cc1ccccc1OCC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000481906627 515509411 /nfs/dbraw/zinc/50/94/11/515509411.db2.gz SHUZUJLDWHPDBX-UHFFFAOYSA-N 1 2 369.852 2.935 20 30 FFEDLO N#Cc1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000481935488 515519282 /nfs/dbraw/zinc/51/92/82/515519282.db2.gz ORVNOAWOCLLKBG-UHFFFAOYSA-N 1 2 369.852 2.935 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cn3cc(Cl)cc(Cl)c3n2)C1=O ZINC000499985962 515548456 /nfs/dbraw/zinc/54/84/56/515548456.db2.gz HFCYTZMYPZBKNK-CQSZACIVSA-N 1 2 353.253 2.860 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cn3cc(Cl)cc(Cl)c3n2)C1=O ZINC000499985962 515548464 /nfs/dbraw/zinc/54/84/64/515548464.db2.gz HFCYTZMYPZBKNK-CQSZACIVSA-N 1 2 353.253 2.860 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)C1=O ZINC000500029186 515565548 /nfs/dbraw/zinc/56/55/48/515565548.db2.gz ZSTXDXMDNCNBQV-PXNSSMCTSA-N 1 2 371.525 2.781 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)C1=O ZINC000500029186 515565556 /nfs/dbraw/zinc/56/55/56/515565556.db2.gz ZSTXDXMDNCNBQV-PXNSSMCTSA-N 1 2 371.525 2.781 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000505625654 515614926 /nfs/dbraw/zinc/61/49/26/515614926.db2.gz XWRCASQXJSPQQX-MRXNPFEDSA-N 1 2 352.438 2.873 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](COc3ccccc3)C2)c1 ZINC000505847474 515695660 /nfs/dbraw/zinc/69/56/60/515695660.db2.gz ZVNFMLNRBLCHRQ-GOSISDBHSA-N 1 2 370.474 2.733 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](COc3ccccc3)C2)c1 ZINC000505847474 515695668 /nfs/dbraw/zinc/69/56/68/515695668.db2.gz ZVNFMLNRBLCHRQ-GOSISDBHSA-N 1 2 370.474 2.733 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000506029997 515755304 /nfs/dbraw/zinc/75/53/04/515755304.db2.gz DVQMVKJZFRVWIA-OAHLLOKOSA-N 1 2 373.526 2.639 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000506029997 515755311 /nfs/dbraw/zinc/75/53/11/515755311.db2.gz DVQMVKJZFRVWIA-OAHLLOKOSA-N 1 2 373.526 2.639 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)nc1 ZINC000494189463 515760981 /nfs/dbraw/zinc/76/09/81/515760981.db2.gz RQQSXGNIYBQZTG-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@H+](CC)C[C@@H](C)C#N ZINC000506060111 515765341 /nfs/dbraw/zinc/76/53/41/515765341.db2.gz DTPFUEYVFNQOLA-JKSUJKDBSA-N 1 2 358.486 2.516 20 30 FFEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@@H+](CC)C[C@@H](C)C#N ZINC000506060111 515765349 /nfs/dbraw/zinc/76/53/49/515765349.db2.gz DTPFUEYVFNQOLA-JKSUJKDBSA-N 1 2 358.486 2.516 20 30 FFEDLO C=CC[NH+]1CCC(NC(=O)N=c2nc(-c3sccc3C)[nH]s2)CC1 ZINC000473829832 515766048 /nfs/dbraw/zinc/76/60/48/515766048.db2.gz PCNAMLSZRAADKN-UHFFFAOYSA-N 1 2 363.512 2.769 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCCNc1cccc[nH+]1 ZINC000482705128 515776530 /nfs/dbraw/zinc/77/65/30/515776530.db2.gz GEOYSVUIZAGFEO-UHFFFAOYSA-N 1 2 358.442 2.757 20 30 FFEDLO Cc1cc(C)cc(OCC(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000500743420 515837430 /nfs/dbraw/zinc/83/74/30/515837430.db2.gz CFTGKOVUAWGFMG-UHFFFAOYSA-N 1 2 363.461 2.898 20 30 FFEDLO Cc1cc(C(=O)NCc2cn3cccc(C)c3[nH+]2)nn1-c1cccc(C#N)c1 ZINC000506331348 515851344 /nfs/dbraw/zinc/85/13/44/515851344.db2.gz NRELOOATMVWNNY-UHFFFAOYSA-N 1 2 370.416 2.939 20 30 FFEDLO Cc1ccccc1-n1nccc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000474095595 515880077 /nfs/dbraw/zinc/88/00/77/515880077.db2.gz HGPWCLGEVXQQSJ-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000483039445 515894712 /nfs/dbraw/zinc/89/47/12/515894712.db2.gz CCYWRJYFWHQTKC-GOSISDBHSA-N 1 2 366.465 2.684 20 30 FFEDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000483039445 515894723 /nfs/dbraw/zinc/89/47/23/515894723.db2.gz CCYWRJYFWHQTKC-GOSISDBHSA-N 1 2 366.465 2.684 20 30 FFEDLO N#Cc1ccc(F)c(CS(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000500962318 515917404 /nfs/dbraw/zinc/91/74/04/515917404.db2.gz CWQFZUNBKFHKKH-UHFFFAOYSA-N 1 2 370.409 2.503 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000457546981 515960248 /nfs/dbraw/zinc/96/02/48/515960248.db2.gz ZMJYTQOFOWXQPY-HZPDHXFCSA-N 1 2 362.861 2.789 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN([C@H]3CCCN(c4ccccc4)C3=O)CC2)cc1 ZINC000501101749 515980593 /nfs/dbraw/zinc/98/05/93/515980593.db2.gz JLKYUYARJCMDIC-QFIPXVFZSA-N 1 2 374.488 2.871 20 30 FFEDLO N#Cc1ccc(CN2CC[NH+]([C@H]3CCCN(c4ccccc4)C3=O)CC2)cc1 ZINC000501101749 515980601 /nfs/dbraw/zinc/98/06/01/515980601.db2.gz JLKYUYARJCMDIC-QFIPXVFZSA-N 1 2 374.488 2.871 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000487815323 515989167 /nfs/dbraw/zinc/98/91/67/515989167.db2.gz HWDVPCRZDBPUCW-CVEARBPZSA-N 1 2 363.527 2.814 20 30 FFEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000469898242 516023194 /nfs/dbraw/zinc/02/31/94/516023194.db2.gz OORGSAVBVVUJQG-HNNXBMFYSA-N 1 2 354.376 2.726 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000469984323 516059835 /nfs/dbraw/zinc/05/98/35/516059835.db2.gz SSFJCIGBAQYSIS-OAQYLSRUSA-N 1 2 369.428 2.802 20 30 FFEDLO C=C[C@H]1CCCCN1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000495134939 516077837 /nfs/dbraw/zinc/07/78/37/516077837.db2.gz DKBWGXTXFVMPLO-IBGZPJMESA-N 1 2 373.497 2.648 20 30 FFEDLO N#Cc1cccc(F)c1CC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000507203891 516123370 /nfs/dbraw/zinc/12/33/70/516123370.db2.gz OOCAUHGHQZLEBM-UHFFFAOYSA-N 1 2 353.397 2.711 20 30 FFEDLO CC1CCC(N(C)C(=O)C[NH+]2CCN(c3ccccc3C#N)CC2)CC1 ZINC000507275314 516151636 /nfs/dbraw/zinc/15/16/36/516151636.db2.gz BLWILWKNGSGREF-UHFFFAOYSA-N 1 2 354.498 2.717 20 30 FFEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000507299201 516162070 /nfs/dbraw/zinc/16/20/70/516162070.db2.gz WWSPTAZGUXZHJG-MSOLQXFVSA-N 1 2 362.477 2.946 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccc(CO)o1 ZINC000512183665 516188220 /nfs/dbraw/zinc/18/82/20/516188220.db2.gz VLYXQRUSIKKCEB-UHFFFAOYSA-N 1 2 359.470 2.835 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccc(CO)o1 ZINC000512183665 516188225 /nfs/dbraw/zinc/18/82/25/516188225.db2.gz VLYXQRUSIKKCEB-UHFFFAOYSA-N 1 2 359.470 2.835 20 30 FFEDLO COCC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000512202503 516196578 /nfs/dbraw/zinc/19/65/78/516196578.db2.gz IKZWMZIJMLYQDF-IBGZPJMESA-N 1 2 372.513 2.837 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000512215154 516199910 /nfs/dbraw/zinc/19/99/10/516199910.db2.gz VNONMAKDQGTNPR-CQSZACIVSA-N 1 2 372.421 2.906 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000512215154 516199917 /nfs/dbraw/zinc/19/99/17/516199917.db2.gz VNONMAKDQGTNPR-CQSZACIVSA-N 1 2 372.421 2.906 20 30 FFEDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCO1 ZINC000488499573 516242368 /nfs/dbraw/zinc/24/23/68/516242368.db2.gz CEGFEPFVTAZZHW-AWEZNQCLSA-N 1 2 370.375 2.809 20 30 FFEDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCO1 ZINC000488499573 516242375 /nfs/dbraw/zinc/24/23/75/516242375.db2.gz CEGFEPFVTAZZHW-AWEZNQCLSA-N 1 2 370.375 2.809 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000507789171 516300438 /nfs/dbraw/zinc/30/04/38/516300438.db2.gz RYSCPRFZIJYBLP-UHFFFAOYSA-N 1 2 360.417 2.912 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H](C)c2cccc(CC(C)C)c2)c1C#N ZINC000554288614 516363690 /nfs/dbraw/zinc/36/36/90/516363690.db2.gz CPVMSZAVZYUECV-HNNXBMFYSA-N 1 2 367.497 2.796 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512805503 516365662 /nfs/dbraw/zinc/36/56/62/516365662.db2.gz HPGALRFDHBIDML-MNOVXSKESA-N 1 2 369.437 2.997 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](COC(F)F)C1 ZINC000512805503 516365670 /nfs/dbraw/zinc/36/56/70/516365670.db2.gz HPGALRFDHBIDML-MNOVXSKESA-N 1 2 369.437 2.997 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000512817991 516374006 /nfs/dbraw/zinc/37/40/06/516374006.db2.gz OICGCLNZIJAJDU-GFCCVEGCSA-N 1 2 355.410 2.802 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512817991 516374018 /nfs/dbraw/zinc/37/40/18/516374018.db2.gz OICGCLNZIJAJDU-GFCCVEGCSA-N 1 2 355.410 2.802 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528761640 516677286 /nfs/dbraw/zinc/67/72/86/516677286.db2.gz JERQZIICWKRUGJ-HRAATJIYSA-N 1 2 367.497 2.733 20 30 FFEDLO CCOC(=O)[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000551369911 516678605 /nfs/dbraw/zinc/67/86/05/516678605.db2.gz CXRZMPMEYQGRCQ-OAQYLSRUSA-N 1 2 363.461 2.980 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(F)(c3ccccc3)CC2)nc1 ZINC000561779280 516768849 /nfs/dbraw/zinc/76/88/49/516768849.db2.gz QAVJYRGDSRKUFX-UHFFFAOYSA-N 1 2 373.453 2.688 20 30 FFEDLO C=CCc1cc(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc(OC)c1OC ZINC000555165364 516812816 /nfs/dbraw/zinc/81/28/16/516812816.db2.gz RNCAJPKZIKGXMV-HNNXBMFYSA-N 1 2 370.453 2.512 20 30 FFEDLO C=CCc1cc(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc(OC)c1OC ZINC000555165364 516812827 /nfs/dbraw/zinc/81/28/27/516812827.db2.gz RNCAJPKZIKGXMV-HNNXBMFYSA-N 1 2 370.453 2.512 20 30 FFEDLO COc1ccc(Br)cc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000532271539 516883682 /nfs/dbraw/zinc/88/36/82/516883682.db2.gz AFWGIXOZOMZHGZ-MRXNPFEDSA-N 1 2 374.238 2.646 20 30 FFEDLO COc1cc[nH+]cc1CNC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000562052551 516898035 /nfs/dbraw/zinc/89/80/35/516898035.db2.gz DVDIJLCKODSPAE-UHFFFAOYSA-N 1 2 356.451 2.691 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CC1(C#N)CCCC1)c1ccccc1 ZINC000544750824 516911418 /nfs/dbraw/zinc/91/14/18/516911418.db2.gz ZLZJMKDCZSLCRF-INIZCTEOSA-N 1 2 358.467 2.513 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)Nc2c(F)cccc2F)CC1 ZINC000555432258 516928437 /nfs/dbraw/zinc/92/84/37/516928437.db2.gz KQEZBSSRJLYKEO-UHFFFAOYSA-N 1 2 370.403 2.987 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@H+](CC(=O)Nc2c(F)cccc2F)CC1 ZINC000555432258 516928447 /nfs/dbraw/zinc/92/84/47/516928447.db2.gz KQEZBSSRJLYKEO-UHFFFAOYSA-N 1 2 370.403 2.987 20 30 FFEDLO N#CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000541277475 516964311 /nfs/dbraw/zinc/96/43/11/516964311.db2.gz ILIZIJXIEYGVMI-UHFFFAOYSA-N 1 2 355.388 2.989 20 30 FFEDLO CCOC(=O)c1ccc(N2CC[NH+](Cc3cccc(C#N)c3F)CC2)nc1 ZINC000536995642 516999244 /nfs/dbraw/zinc/99/92/44/516999244.db2.gz YVUOHZKYQJGBQH-UHFFFAOYSA-N 1 2 368.412 2.591 20 30 FFEDLO C=C(C)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1ccc(F)c(F)c1 ZINC000548478527 517008299 /nfs/dbraw/zinc/00/82/99/517008299.db2.gz OEKGSZLTHCWVLL-KRWDZBQOSA-N 1 2 355.348 2.988 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000555650709 517045059 /nfs/dbraw/zinc/04/50/59/517045059.db2.gz JBWADNHDOOFKEI-UHFFFAOYSA-N 1 2 371.444 2.867 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3ccc4c(c3)CCC4)C2)nc1 ZINC000519757579 517166177 /nfs/dbraw/zinc/16/61/77/517166177.db2.gz LZKRFMUINHKBJB-LJQANCHMSA-N 1 2 362.433 2.534 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3ccc4c(c3)CCC4)C2)nc1 ZINC000519757579 517166181 /nfs/dbraw/zinc/16/61/81/517166181.db2.gz LZKRFMUINHKBJB-LJQANCHMSA-N 1 2 362.433 2.534 20 30 FFEDLO N#Cc1csc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)n1 ZINC000515019550 517171723 /nfs/dbraw/zinc/17/17/23/517171723.db2.gz MTLJVCDMGIXKRQ-CYBMUJFWSA-N 1 2 350.806 2.702 20 30 FFEDLO CCc1ccc(NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000532916289 517200545 /nfs/dbraw/zinc/20/05/45/517200545.db2.gz XQTYKTBZJIEEJF-UHFFFAOYSA-N 1 2 362.477 2.877 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cnc(-c4ccccc4)nc3)CC2)c1 ZINC000532922959 517204723 /nfs/dbraw/zinc/20/47/23/517204723.db2.gz OTSFGLIUAYSKSW-UHFFFAOYSA-N 1 2 356.433 2.732 20 30 FFEDLO CCc1nn(Cc2[nH+]c3cc(F)ccc3n2CC)c(=O)c(C#N)c1CC ZINC000515147838 517230629 /nfs/dbraw/zinc/23/06/29/517230629.db2.gz JPPCRYCWQGUGSS-UHFFFAOYSA-N 1 2 353.401 2.797 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000519906014 517240381 /nfs/dbraw/zinc/24/03/81/517240381.db2.gz ARZADGNXPWIZCO-UHFFFAOYSA-N 1 2 355.413 2.840 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000519906014 517240388 /nfs/dbraw/zinc/24/03/88/517240388.db2.gz ARZADGNXPWIZCO-UHFFFAOYSA-N 1 2 355.413 2.840 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Cl)c(C#N)c3)c[nH+]2)CCO1 ZINC000537586471 517245315 /nfs/dbraw/zinc/24/53/15/517245315.db2.gz JIVCROFAOUYCJN-ZDUSSCGKSA-N 1 2 370.840 2.762 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(Br)cc1 ZINC000533089683 517287834 /nfs/dbraw/zinc/28/78/34/517287834.db2.gz BYDHQTODMLHNBZ-WFASDCNBSA-N 1 2 359.227 2.589 20 30 FFEDLO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000541935375 517300044 /nfs/dbraw/zinc/30/00/44/517300044.db2.gz SUMOTLNZUPPBQI-UHFFFAOYSA-N 1 2 351.410 2.801 20 30 FFEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000526135529 517363902 /nfs/dbraw/zinc/36/39/02/517363902.db2.gz ADVDOVKZAFTUQP-OAHLLOKOSA-N 1 2 360.889 2.581 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000515469110 517364507 /nfs/dbraw/zinc/36/45/07/517364507.db2.gz SGWKBUIJWCEITR-MGHWNKPDSA-N 1 2 365.424 2.600 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000515469110 517364513 /nfs/dbraw/zinc/36/45/13/517364513.db2.gz SGWKBUIJWCEITR-MGHWNKPDSA-N 1 2 365.424 2.600 20 30 FFEDLO Cn1c[nH+]cc1CCC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000527009323 517447507 /nfs/dbraw/zinc/44/75/07/517447507.db2.gz PGGDUZNDTJYMOJ-UHFFFAOYSA-N 1 2 365.437 2.574 20 30 FFEDLO Cc1cc(C#N)nc(NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)n1 ZINC000552957585 517453494 /nfs/dbraw/zinc/45/34/94/517453494.db2.gz BCPZPAISIAWSFR-UHFFFAOYSA-N 1 2 356.433 2.648 20 30 FFEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](Cc2ccccc2F)C(C)C)CC1 ZINC000538138539 517478027 /nfs/dbraw/zinc/47/80/27/517478027.db2.gz BMVGPIIHGPNPLL-HXUWFJFHSA-N 1 2 374.504 2.728 20 30 FFEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](Cc2ccccc2F)C(C)C)CC1 ZINC000538138539 517478034 /nfs/dbraw/zinc/47/80/34/517478034.db2.gz BMVGPIIHGPNPLL-HXUWFJFHSA-N 1 2 374.504 2.728 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3OCCc4ccccc43)CC2)cc1 ZINC000533544044 517517505 /nfs/dbraw/zinc/51/75/05/517517505.db2.gz JTSJVSAPXCASPJ-NRFANRHFSA-N 1 2 361.445 2.516 20 30 FFEDLO N#CC1(NC(=O)C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)CCC1 ZINC000527378084 517666773 /nfs/dbraw/zinc/66/67/73/517666773.db2.gz JBXTUEQGVCYQCQ-IBGZPJMESA-N 1 2 362.433 2.518 20 30 FFEDLO COc1ccc(Cl)cc1N1C(=O)C[C@@H]([NH+]2CCC(C)(C#N)CC2)C1=O ZINC000542788546 517740983 /nfs/dbraw/zinc/74/09/83/517740983.db2.gz QCZSGBNREFQBID-CQSZACIVSA-N 1 2 361.829 2.606 20 30 FFEDLO COc1ccc(CN2CCC[N@H+](Cc3cc(C#N)cs3)CC2=O)cc1 ZINC000546657899 517782604 /nfs/dbraw/zinc/78/26/04/517782604.db2.gz DTFPADSZVQEOHK-UHFFFAOYSA-N 1 2 355.463 2.863 20 30 FFEDLO COc1ccc(CN2CCC[N@@H+](Cc3cc(C#N)cs3)CC2=O)cc1 ZINC000546657899 517782614 /nfs/dbraw/zinc/78/26/14/517782614.db2.gz DTFPADSZVQEOHK-UHFFFAOYSA-N 1 2 355.463 2.863 20 30 FFEDLO Cc1cc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)ccc1C#N ZINC000550119881 517871676 /nfs/dbraw/zinc/87/16/76/517871676.db2.gz PHRSDKAUGLTWSI-UHFFFAOYSA-N 1 2 364.405 2.733 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c1C#N ZINC000534431356 517893434 /nfs/dbraw/zinc/89/34/34/517893434.db2.gz IJQREPONBFPBJM-UHFFFAOYSA-N 1 2 360.417 2.539 20 30 FFEDLO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546916373 517919074 /nfs/dbraw/zinc/91/90/74/517919074.db2.gz IYBGHXQJYJLENS-UHFFFAOYSA-N 1 2 359.433 2.748 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C1(c3cc(F)cc(C#N)c3)CC1)CCC2 ZINC000560605912 517924400 /nfs/dbraw/zinc/92/44/00/517924400.db2.gz OPSXVTSOEJOHRW-OAHLLOKOSA-N 1 2 352.413 2.928 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000516965624 517947720 /nfs/dbraw/zinc/94/77/20/517947720.db2.gz FKUYJYYTNZSGIA-GOSISDBHSA-N 1 2 350.422 2.969 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000516965624 517947727 /nfs/dbraw/zinc/94/77/27/517947727.db2.gz FKUYJYYTNZSGIA-GOSISDBHSA-N 1 2 350.422 2.969 20 30 FFEDLO CC1(C)C[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)Cc2ccccc21 ZINC000534680833 517997597 /nfs/dbraw/zinc/99/75/97/517997597.db2.gz WFYPIVLOLOVRTR-IBGZPJMESA-N 1 2 359.429 2.984 20 30 FFEDLO CC1(C)C[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)Cc2ccccc21 ZINC000534680833 517997601 /nfs/dbraw/zinc/99/76/01/517997601.db2.gz WFYPIVLOLOVRTR-IBGZPJMESA-N 1 2 359.429 2.984 20 30 FFEDLO CSc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000517067126 518007521 /nfs/dbraw/zinc/00/75/21/518007521.db2.gz AOCDWWVTDCWGPT-MRXNPFEDSA-N 1 2 368.462 2.767 20 30 FFEDLO CSc1ccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000517067126 518007531 /nfs/dbraw/zinc/00/75/31/518007531.db2.gz AOCDWWVTDCWGPT-MRXNPFEDSA-N 1 2 368.462 2.767 20 30 FFEDLO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c2[nH+]ccn21 ZINC000517072239 518010677 /nfs/dbraw/zinc/01/06/77/518010677.db2.gz VDZWPDLEHCWLFC-TVQRCGJNSA-N 1 2 370.356 2.758 20 30 FFEDLO C=CCOc1cccnc1C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000539370905 518012170 /nfs/dbraw/zinc/01/21/70/518012170.db2.gz GBWAPWDTBOXBLN-UHFFFAOYSA-N 1 2 367.449 2.613 20 30 FFEDLO C=CCN1CC[C@@H](N(C)C(=O)CCn2c3ccccc3[nH+]c2C2CC2)C1=O ZINC000547400544 518122570 /nfs/dbraw/zinc/12/25/70/518122570.db2.gz UVHBUNNGZUCAEX-GOSISDBHSA-N 1 2 366.465 2.549 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000522536447 518122851 /nfs/dbraw/zinc/12/28/51/518122851.db2.gz ROSAIQXLAABWRZ-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO N#Cc1cccc(CCNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000563866679 518208215 /nfs/dbraw/zinc/20/82/15/518208215.db2.gz CXPMQDIDNJXSHA-UHFFFAOYSA-N 1 2 353.813 2.901 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2[C@H]3C[C@@H](C(=O)OC)O[C@H]3CC[C@H]2C)c1C ZINC000572544248 518241783 /nfs/dbraw/zinc/24/17/83/518241783.db2.gz ONQRRWGHPQTQRG-IKTSWFPUSA-N 1 2 374.481 2.657 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2[C@H]3C[C@@H](C(=O)OC)O[C@H]3CC[C@H]2C)c1C ZINC000572544248 518241789 /nfs/dbraw/zinc/24/17/89/518241789.db2.gz ONQRRWGHPQTQRG-IKTSWFPUSA-N 1 2 374.481 2.657 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(Oc3cncc(Cl)c3)CC2)cc1 ZINC000584299485 518272728 /nfs/dbraw/zinc/27/27/28/518272728.db2.gz LWBNJULYZBFGQH-SFHVURJKSA-N 1 2 370.840 2.676 20 30 FFEDLO C=C[C@@H]1CCCCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000567091084 518345519 /nfs/dbraw/zinc/34/55/19/518345519.db2.gz IFTUCRYDUGQJKV-QZTJIDSGSA-N 1 2 358.486 2.584 20 30 FFEDLO C=C[C@@H]1CCCCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000567091084 518345528 /nfs/dbraw/zinc/34/55/28/518345528.db2.gz IFTUCRYDUGQJKV-QZTJIDSGSA-N 1 2 358.486 2.584 20 30 FFEDLO Cc1c(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)cnn1C ZINC000584523311 518381577 /nfs/dbraw/zinc/38/15/77/518381577.db2.gz FGGPETIUPMZEOZ-UHFFFAOYSA-N 1 2 359.861 2.761 20 30 FFEDLO Cc1c(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)cnn1C ZINC000584523311 518381586 /nfs/dbraw/zinc/38/15/86/518381586.db2.gz FGGPETIUPMZEOZ-UHFFFAOYSA-N 1 2 359.861 2.761 20 30 FFEDLO Cc1cc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(C#N)cn1 ZINC000567162060 518383003 /nfs/dbraw/zinc/38/30/03/518383003.db2.gz HHVGMCVCUBUQAL-RBUKOAKNSA-N 1 2 356.857 2.821 20 30 FFEDLO Cc1cc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(C#N)cn1 ZINC000567162060 518383010 /nfs/dbraw/zinc/38/30/10/518383010.db2.gz HHVGMCVCUBUQAL-RBUKOAKNSA-N 1 2 356.857 2.821 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000570108606 518443633 /nfs/dbraw/zinc/44/36/33/518443633.db2.gz NDBNLFGMBLVTPY-IBGZPJMESA-N 1 2 371.462 2.760 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000573123758 518518124 /nfs/dbraw/zinc/51/81/24/518518124.db2.gz NFVPTVMYSOGWKE-HNNXBMFYSA-N 1 2 352.398 2.842 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000573123758 518518129 /nfs/dbraw/zinc/51/81/29/518518129.db2.gz NFVPTVMYSOGWKE-HNNXBMFYSA-N 1 2 352.398 2.842 20 30 FFEDLO CCC[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000576346404 518548903 /nfs/dbraw/zinc/54/89/03/518548903.db2.gz OEGCAOYETQTQLC-OAHLLOKOSA-N 1 2 362.437 2.840 20 30 FFEDLO CCC[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000576346404 518548907 /nfs/dbraw/zinc/54/89/07/518548907.db2.gz OEGCAOYETQTQLC-OAHLLOKOSA-N 1 2 362.437 2.840 20 30 FFEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564799914 518621785 /nfs/dbraw/zinc/62/17/85/518621785.db2.gz XSNDXBZOXSDWFN-SFHVURJKSA-N 1 2 357.421 2.825 20 30 FFEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564799914 518621790 /nfs/dbraw/zinc/62/17/90/518621790.db2.gz XSNDXBZOXSDWFN-SFHVURJKSA-N 1 2 357.421 2.825 20 30 FFEDLO N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000587055943 518675466 /nfs/dbraw/zinc/67/54/66/518675466.db2.gz ALEFUZIVKIOCKX-MRXNPFEDSA-N 1 2 362.389 2.672 20 30 FFEDLO CN(c1nc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1)C1CC1 ZINC000582337231 518702988 /nfs/dbraw/zinc/70/29/88/518702988.db2.gz FINQCRCCILBTJS-MRXNPFEDSA-N 1 2 355.467 2.662 20 30 FFEDLO CN(c1nc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1)C1CC1 ZINC000582337231 518702996 /nfs/dbraw/zinc/70/29/96/518702996.db2.gz FINQCRCCILBTJS-MRXNPFEDSA-N 1 2 355.467 2.662 20 30 FFEDLO N#CCCC1CC[NH+]([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000567790921 518713288 /nfs/dbraw/zinc/71/32/88/518713288.db2.gz ALKXCQUXHOXJNV-HNNXBMFYSA-N 1 2 350.260 2.991 20 30 FFEDLO N#Cc1cccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000567828178 518734035 /nfs/dbraw/zinc/73/40/35/518734035.db2.gz CKSSACFTSYRZOS-UHFFFAOYSA-N 1 2 350.426 2.898 20 30 FFEDLO CC(C)Oc1cc(Br)ccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000565052161 518762536 /nfs/dbraw/zinc/76/25/36/518762536.db2.gz VRCUSMLZJIGBPW-MRXNPFEDSA-N 1 2 368.275 2.810 20 30 FFEDLO CCOc1cccc(C[N@H+](CCO)Cc2cccc(C(=O)OC)c2C#N)c1 ZINC000570772458 518769223 /nfs/dbraw/zinc/76/92/23/518769223.db2.gz WIDBIXWXIYABMG-UHFFFAOYSA-N 1 2 368.433 2.738 20 30 FFEDLO CCOc1cccc(C[N@@H+](CCO)Cc2cccc(C(=O)OC)c2C#N)c1 ZINC000570772458 518769228 /nfs/dbraw/zinc/76/92/28/518769228.db2.gz WIDBIXWXIYABMG-UHFFFAOYSA-N 1 2 368.433 2.738 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCCCC1 ZINC000582524909 518794561 /nfs/dbraw/zinc/79/45/61/518794561.db2.gz FXJBTWDKDXVTLT-UHFFFAOYSA-N 1 2 371.441 2.884 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000570865926 518817278 /nfs/dbraw/zinc/81/72/78/518817278.db2.gz AERWGFUMMOLFDY-UHFFFAOYSA-N 1 2 366.874 2.571 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1cnn(C)c1C ZINC000579914078 518913182 /nfs/dbraw/zinc/91/31/82/518913182.db2.gz NUBDWFHGYOEVGS-INIZCTEOSA-N 1 2 369.469 2.504 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1cnn(C)c1C ZINC000579914078 518913185 /nfs/dbraw/zinc/91/31/85/518913185.db2.gz NUBDWFHGYOEVGS-INIZCTEOSA-N 1 2 369.469 2.504 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(C#N)n1)c1ccc(Cl)cc1 ZINC000589272486 518970129 /nfs/dbraw/zinc/97/01/29/518970129.db2.gz HEEDOYVXTNGMRX-MRXNPFEDSA-N 1 2 351.797 2.860 20 30 FFEDLO COc1cc[nH+]cc1CNC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000568310724 518973309 /nfs/dbraw/zinc/97/33/09/518973309.db2.gz PPIRNTZQTLHQNW-UHFFFAOYSA-N 1 2 354.435 2.886 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000571354937 519053104 /nfs/dbraw/zinc/05/31/04/519053104.db2.gz BMULWCSBBWJOPT-UHFFFAOYSA-N 1 2 356.433 2.732 20 30 FFEDLO N#Cc1csc(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c1 ZINC000577437367 519077660 /nfs/dbraw/zinc/07/76/60/519077660.db2.gz RIFNTQGBIFOORH-MRXNPFEDSA-N 1 2 357.504 2.967 20 30 FFEDLO N#Cc1csc(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c1 ZINC000577437367 519077663 /nfs/dbraw/zinc/07/76/63/519077663.db2.gz RIFNTQGBIFOORH-MRXNPFEDSA-N 1 2 357.504 2.967 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000590168899 519166683 /nfs/dbraw/zinc/16/66/83/519166683.db2.gz WFWFSUULPWKGHJ-VDGAXYAQSA-N 1 2 372.488 2.653 20 30 FFEDLO CC#CC[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000574468390 519169576 /nfs/dbraw/zinc/16/95/76/519169576.db2.gz JSIXBBKOIZBMAU-UHFFFAOYSA-N 1 2 358.360 2.624 20 30 FFEDLO CC#CC[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000574468390 519169579 /nfs/dbraw/zinc/16/95/79/519169579.db2.gz JSIXBBKOIZBMAU-UHFFFAOYSA-N 1 2 358.360 2.624 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)c(OC(F)F)c1 ZINC000571946040 519358141 /nfs/dbraw/zinc/35/81/41/519358141.db2.gz VRSHRJJUJYUVJJ-GVDBMIGSSA-N 1 2 366.408 2.912 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)c(OC(F)F)c1 ZINC000571946040 519358147 /nfs/dbraw/zinc/35/81/47/519358147.db2.gz VRSHRJJUJYUVJJ-GVDBMIGSSA-N 1 2 366.408 2.912 20 30 FFEDLO CCc1c(C)nn(-c2cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2)c1C ZINC000566308892 519426337 /nfs/dbraw/zinc/42/63/37/519426337.db2.gz KZSKWYVUIGEEII-FQEVSTJZSA-N 1 2 353.470 2.625 20 30 FFEDLO N#Cc1cccc(CCNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000583830149 519455419 /nfs/dbraw/zinc/45/54/19/519455419.db2.gz KFYQCYADVXCHQW-UHFFFAOYSA-N 1 2 363.465 2.985 20 30 FFEDLO Cn1c2c([nH+]c1[C@H]1CCCN1S(=O)(=O)CC(C)(C)CC#N)CCCC2 ZINC000583853381 519464954 /nfs/dbraw/zinc/46/49/54/519464954.db2.gz JTOJQAJDGREIDW-MRXNPFEDSA-N 1 2 364.515 2.705 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000578201094 519471586 /nfs/dbraw/zinc/47/15/86/519471586.db2.gz HGQRUUPLYGSRRE-UHFFFAOYSA-N 1 2 358.449 2.520 20 30 FFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(I)cc1C ZINC000566429721 519488106 /nfs/dbraw/zinc/48/81/06/519488106.db2.gz XKIFZQNXRWFQTL-LBPRGKRZSA-N 1 2 371.222 2.820 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC000581129457 519538803 /nfs/dbraw/zinc/53/88/03/519538803.db2.gz VRCGQEPUBJZXQK-FQEVSTJZSA-N 1 2 373.522 2.758 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC000581129457 519538808 /nfs/dbraw/zinc/53/88/08/519538808.db2.gz VRCGQEPUBJZXQK-FQEVSTJZSA-N 1 2 373.522 2.758 20 30 FFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000566570575 519556334 /nfs/dbraw/zinc/55/63/34/519556334.db2.gz QUMSLOJLNCDKCI-VIFPVBQESA-N 1 2 355.192 2.578 20 30 FFEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000566570574 519557262 /nfs/dbraw/zinc/55/72/62/519557262.db2.gz QUMSLOJLNCDKCI-SECBINFHSA-N 1 2 355.192 2.578 20 30 FFEDLO Cc1cc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(C#N)cc1N(C)C ZINC000591343095 519600322 /nfs/dbraw/zinc/60/03/22/519600322.db2.gz YUCFDAVDLWDSOU-MRXNPFEDSA-N 1 2 352.442 2.998 20 30 FFEDLO COc1cc(-c2nc(C[NH+]3C[C@H](C)N(CC#N)[C@@H](C)C3)cs2)ccc1O ZINC000602854425 519926180 /nfs/dbraw/zinc/92/61/80/519926180.db2.gz PCXJINCAEPUKAX-KBPBESRZSA-N 1 2 372.494 2.942 20 30 FFEDLO CC[C@H](NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000602855286 519926866 /nfs/dbraw/zinc/92/68/66/519926866.db2.gz HERXNQXFEGYOCB-DAYGRLMNSA-N 1 2 362.905 2.825 20 30 FFEDLO CC[C@H](NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000602855286 519926873 /nfs/dbraw/zinc/92/68/73/519926873.db2.gz HERXNQXFEGYOCB-DAYGRLMNSA-N 1 2 362.905 2.825 20 30 FFEDLO C[C@@H]1C[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H](C)N1CC#N ZINC000602857245 519928465 /nfs/dbraw/zinc/92/84/65/519928465.db2.gz PUFAVUSHNUTGGP-HZPDHXFCSA-N 1 2 373.888 2.505 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856223 519929595 /nfs/dbraw/zinc/92/95/95/519929595.db2.gz JHUXVARXNRWJRB-HZSPNIEDSA-N 1 2 366.412 2.533 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856223 519929603 /nfs/dbraw/zinc/92/96/03/519929603.db2.gz JHUXVARXNRWJRB-HZSPNIEDSA-N 1 2 366.412 2.533 20 30 FFEDLO C[C@H]1C[NH+](CC(=O)NCC2(c3ccccc3)CCCC2)C[C@H](C)N1CC#N ZINC000602858872 519931920 /nfs/dbraw/zinc/93/19/20/519931920.db2.gz VUPUFZQMXAHICT-OALUTQOASA-N 1 2 368.525 2.533 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)C[C@H](C)N1CC#N ZINC000602860359 519933396 /nfs/dbraw/zinc/93/33/96/519933396.db2.gz IWQVWUGSMIEWRB-IXDOHACOSA-N 1 2 372.538 2.822 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)C[C@H](C)N1CC#N ZINC000602860359 519933403 /nfs/dbraw/zinc/93/34/03/519933403.db2.gz IWQVWUGSMIEWRB-IXDOHACOSA-N 1 2 372.538 2.822 20 30 FFEDLO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602866270 519935417 /nfs/dbraw/zinc/93/54/17/519935417.db2.gz VMFCVTIPRZFETF-BSDSXHPESA-N 1 2 354.498 2.661 20 30 FFEDLO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866275 519935458 /nfs/dbraw/zinc/93/54/58/519935458.db2.gz VMFCVTIPRZFETF-WNRNVDISSA-N 1 2 354.498 2.661 20 30 FFEDLO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866275 519935462 /nfs/dbraw/zinc/93/54/62/519935462.db2.gz VMFCVTIPRZFETF-WNRNVDISSA-N 1 2 354.498 2.661 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1ccc(I)cc1 ZINC000602868616 519938546 /nfs/dbraw/zinc/93/85/46/519938546.db2.gz JWWHYILVMHKENR-VHSXEESVSA-N 1 2 357.195 2.510 20 30 FFEDLO N#Cc1cnccc1C[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000602885326 519948230 /nfs/dbraw/zinc/94/82/30/519948230.db2.gz COXZPAMGJFCKPX-OAHLLOKOSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1cnccc1C[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000602885326 519948239 /nfs/dbraw/zinc/94/82/39/519948239.db2.gz COXZPAMGJFCKPX-OAHLLOKOSA-N 1 2 359.227 2.764 20 30 FFEDLO CCOC(=O)[C@H](Cc1cccc2ccccc21)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000602946262 519986903 /nfs/dbraw/zinc/98/69/03/519986903.db2.gz TVOBFDARDUTCGD-QUCCMNQESA-N 1 2 366.461 2.958 20 30 FFEDLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602975724 520001185 /nfs/dbraw/zinc/00/11/85/520001185.db2.gz GLKKTGYUXORLEO-IPELMVKDSA-N 1 2 371.481 2.991 20 30 FFEDLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602975724 520001190 /nfs/dbraw/zinc/00/11/90/520001190.db2.gz GLKKTGYUXORLEO-IPELMVKDSA-N 1 2 371.481 2.991 20 30 FFEDLO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602975747 520001600 /nfs/dbraw/zinc/00/16/00/520001600.db2.gz GRXIDXOCXQLUQS-SJORKVTESA-N 1 2 359.470 2.676 20 30 FFEDLO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602975747 520001606 /nfs/dbraw/zinc/00/16/06/520001606.db2.gz GRXIDXOCXQLUQS-SJORKVTESA-N 1 2 359.470 2.676 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)n1cnc(C#N)n1 ZINC000591856739 520062653 /nfs/dbraw/zinc/06/26/53/520062653.db2.gz JIIIOWLRRSJGPF-ZDUSSCGKSA-N 1 2 361.409 2.549 20 30 FFEDLO N#Cc1ccc(NCC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000591885756 520069159 /nfs/dbraw/zinc/06/91/59/520069159.db2.gz JEKYMEMJBYFWHO-UHFFFAOYSA-N 1 2 368.868 2.968 20 30 FFEDLO COc1ccc(Cl)cc1N1C(=O)C[C@H]([N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000594659546 520071647 /nfs/dbraw/zinc/07/16/47/520071647.db2.gz DSYPRFDGGGWJKB-WFASDCNBSA-N 1 2 361.829 2.606 20 30 FFEDLO COc1ccc(Cl)cc1N1C(=O)C[C@H]([N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000594659546 520071654 /nfs/dbraw/zinc/07/16/54/520071654.db2.gz DSYPRFDGGGWJKB-WFASDCNBSA-N 1 2 361.829 2.606 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000592047662 520153886 /nfs/dbraw/zinc/15/38/86/520153886.db2.gz QFTODTYHCVVPPX-UHFFFAOYSA-N 1 2 374.510 2.754 20 30 FFEDLO CCOC(=O)C1CC[NH+](Cc2cn([C@H](C)c3ccc(C#N)cc3)nn2)CC1 ZINC000603226789 520167829 /nfs/dbraw/zinc/16/78/29/520167829.db2.gz HRYSKFCVTKBAOB-OAHLLOKOSA-N 1 2 367.453 2.534 20 30 FFEDLO CCOC(=O)C1CC[NH+](Cc2cn([C@@H](C)c3cccc(C#N)c3)nn2)CC1 ZINC000603237370 520174360 /nfs/dbraw/zinc/17/43/60/520174360.db2.gz XAYIDNWXDXMQFO-HNNXBMFYSA-N 1 2 367.453 2.534 20 30 FFEDLO C[C@H]1C[N@H+](CCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCO1 ZINC000609129463 520199514 /nfs/dbraw/zinc/19/95/14/520199514.db2.gz URUDKCDEEKTDMA-INIZCTEOSA-N 1 2 365.433 2.801 20 30 FFEDLO C[C@H]1C[N@@H+](CCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCO1 ZINC000609129463 520199522 /nfs/dbraw/zinc/19/95/22/520199522.db2.gz URUDKCDEEKTDMA-INIZCTEOSA-N 1 2 365.433 2.801 20 30 FFEDLO Cc1ccc(-c2csc(NC(=O)[C@@H](C)[N@@H+]3CC[C@](O)(CC#N)C3)n2)cc1 ZINC000592149026 520225518 /nfs/dbraw/zinc/22/55/18/520225518.db2.gz HDWFQUJWJFJIIY-AUUYWEPGSA-N 1 2 370.478 2.796 20 30 FFEDLO Cc1ccc(-c2csc(NC(=O)[C@@H](C)[N@H+]3CC[C@](O)(CC#N)C3)n2)cc1 ZINC000592149026 520225522 /nfs/dbraw/zinc/22/55/22/520225522.db2.gz HDWFQUJWJFJIIY-AUUYWEPGSA-N 1 2 370.478 2.796 20 30 FFEDLO C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149098 520225668 /nfs/dbraw/zinc/22/56/68/520225668.db2.gz IWFHLPJANLGOMP-KSSFIOAISA-N 1 2 362.499 2.548 20 30 FFEDLO C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149098 520225673 /nfs/dbraw/zinc/22/56/73/520225673.db2.gz IWFHLPJANLGOMP-KSSFIOAISA-N 1 2 362.499 2.548 20 30 FFEDLO COc1ccc(-n2c(C[N@@H+]3CC[C@](O)(CC#N)C3)nc3ccccc32)cc1 ZINC000592148885 520227588 /nfs/dbraw/zinc/22/75/88/520227588.db2.gz DPHYEFXPBKONEY-OAQYLSRUSA-N 1 2 362.433 2.885 20 30 FFEDLO COc1ccc(-n2c(C[N@H+]3CC[C@](O)(CC#N)C3)nc3ccccc32)cc1 ZINC000592148885 520227590 /nfs/dbraw/zinc/22/75/90/520227590.db2.gz DPHYEFXPBKONEY-OAQYLSRUSA-N 1 2 362.433 2.885 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000609439092 520310000 /nfs/dbraw/zinc/31/00/00/520310000.db2.gz YKWHHUDCBAALOJ-CABCVRRESA-N 1 2 362.499 2.923 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000609439092 520310010 /nfs/dbraw/zinc/31/00/10/520310010.db2.gz YKWHHUDCBAALOJ-CABCVRRESA-N 1 2 362.499 2.923 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)NCc2ccccc2Cl)CC1 ZINC000609538782 520347147 /nfs/dbraw/zinc/34/71/47/520347147.db2.gz XRWGQNFJCVYBBR-QAPCUYQASA-N 1 2 362.905 2.510 20 30 FFEDLO N#Cc1ccc(OCC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000600679191 520393251 /nfs/dbraw/zinc/39/32/51/520393251.db2.gz SJYDOFZGNOMNNS-UHFFFAOYSA-N 1 2 374.444 2.763 20 30 FFEDLO C[NH+](C)[C@H](CNC(=O)CNc1ccc(C#N)cc1)c1c(F)cccc1F ZINC000609664368 520399625 /nfs/dbraw/zinc/39/96/25/520399625.db2.gz UUSBAFZPQLIZTI-QGZVFWFLSA-N 1 2 358.392 2.667 20 30 FFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)C(N)=O)cc1 ZINC000609676516 520404740 /nfs/dbraw/zinc/40/47/40/520404740.db2.gz KRYQUJRDKOHAPS-HXUWFJFHSA-N 1 2 364.449 2.981 20 30 FFEDLO N#C[C@H](Cc1ccccc1)n1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000609750678 520421116 /nfs/dbraw/zinc/42/11/16/520421116.db2.gz TWFPLNPHEOFESG-PMACEKPBSA-N 1 2 374.448 2.554 20 30 FFEDLO N#C[C@H](Cc1ccccc1)n1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000609750678 520421123 /nfs/dbraw/zinc/42/11/23/520421123.db2.gz TWFPLNPHEOFESG-PMACEKPBSA-N 1 2 374.448 2.554 20 30 FFEDLO CC[C@@H](C(=O)N1CCc2c(CC#N)cccc2C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000600790113 520472090 /nfs/dbraw/zinc/47/20/90/520472090.db2.gz VWRLUZYRHHAYEP-ICSRJNTNSA-N 1 2 355.482 2.527 20 30 FFEDLO CC[C@@H](C(=O)N1CCc2c(CC#N)cccc2C1)[N@H+]1CCO[C@@H](CC)C1 ZINC000600790113 520472096 /nfs/dbraw/zinc/47/20/96/520472096.db2.gz VWRLUZYRHHAYEP-ICSRJNTNSA-N 1 2 355.482 2.527 20 30 FFEDLO Cc1cccc([C@@H](CNC(=O)N2CCC[C@@H](CC#N)C2)[NH+]2CCOCC2)c1 ZINC000595448411 520477701 /nfs/dbraw/zinc/47/77/01/520477701.db2.gz KFASJNOLKWOQSL-AZUAARDMSA-N 1 2 370.497 2.704 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)N2CCC[C@@H](CC#N)C2)[NH+]2CCOCC2)c1 ZINC000595448412 520478170 /nfs/dbraw/zinc/47/81/70/520478170.db2.gz KFASJNOLKWOQSL-ICSRJNTNSA-N 1 2 370.497 2.704 20 30 FFEDLO C[C@]1(C#N)CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000595501097 520512621 /nfs/dbraw/zinc/51/26/21/520512621.db2.gz SORKGDFAUBCSQC-AUUYWEPGSA-N 1 2 362.424 2.874 20 30 FFEDLO C[C@]1(C#N)CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000595501097 520512630 /nfs/dbraw/zinc/51/26/30/520512630.db2.gz SORKGDFAUBCSQC-AUUYWEPGSA-N 1 2 362.424 2.874 20 30 FFEDLO Cc1ccc([C@H](CNC(=O)c2ccccc2CC#N)[NH+]2CCOCC2)cc1 ZINC000601006360 520590503 /nfs/dbraw/zinc/59/05/03/520590503.db2.gz YQOVXWCOTFPYAO-NRFANRHFSA-N 1 2 363.461 2.864 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+]2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)C1=O ZINC000595613200 520591272 /nfs/dbraw/zinc/59/12/72/520591272.db2.gz ITRAXGLBJTWMBH-ZWKOTPCHSA-N 1 2 356.466 2.714 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+]2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)C1=O ZINC000595613200 520591276 /nfs/dbraw/zinc/59/12/76/520591276.db2.gz ITRAXGLBJTWMBH-ZWKOTPCHSA-N 1 2 356.466 2.714 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595614233 520595177 /nfs/dbraw/zinc/59/51/77/520595177.db2.gz JRXDZUGSQIIFPJ-QAPCUYQASA-N 1 2 371.481 2.688 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595614233 520595181 /nfs/dbraw/zinc/59/51/81/520595181.db2.gz JRXDZUGSQIIFPJ-QAPCUYQASA-N 1 2 371.481 2.688 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000595628945 520605727 /nfs/dbraw/zinc/60/57/27/520605727.db2.gz MOGWVYUAKCMNDP-OCCSQVGLSA-N 1 2 365.355 2.984 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000595628945 520605732 /nfs/dbraw/zinc/60/57/32/520605732.db2.gz MOGWVYUAKCMNDP-OCCSQVGLSA-N 1 2 365.355 2.984 20 30 FFEDLO N#Cc1sccc1N1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000595632973 520609957 /nfs/dbraw/zinc/60/99/57/520609957.db2.gz RQQDVOQMYMKIJH-KRWDZBQOSA-N 1 2 352.463 2.547 20 30 FFEDLO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633570 520612007 /nfs/dbraw/zinc/61/20/07/520612007.db2.gz OSDLARXOESLTMP-HNNXBMFYSA-N 1 2 366.490 2.720 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](CC)OC[C@H]2C)cc1 ZINC000593063828 520716881 /nfs/dbraw/zinc/71/68/81/520716881.db2.gz OTARZXPWAMHODD-SJLPKXTDSA-N 1 2 359.470 2.831 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](CC)OC[C@H]2C)cc1 ZINC000593063828 520716888 /nfs/dbraw/zinc/71/68/88/520716888.db2.gz OTARZXPWAMHODD-SJLPKXTDSA-N 1 2 359.470 2.831 20 30 FFEDLO Cc1ccc(COCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000598586858 520728017 /nfs/dbraw/zinc/72/80/17/520728017.db2.gz JIIPZDCVKBFIDH-UHFFFAOYSA-N 1 2 363.461 2.728 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@](C)(C#N)C2)c(OC)c1 ZINC000595837463 520758232 /nfs/dbraw/zinc/75/82/32/520758232.db2.gz HKCKLIWUTLAKIV-FXAWDEMLSA-N 1 2 357.454 2.603 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@](C)(C#N)C2)c(OC)c1 ZINC000595837463 520758240 /nfs/dbraw/zinc/75/82/40/520758240.db2.gz HKCKLIWUTLAKIV-FXAWDEMLSA-N 1 2 357.454 2.603 20 30 FFEDLO CCOC(=O)COc1ccc(OCC[N@@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000593120250 520759158 /nfs/dbraw/zinc/75/91/58/520759158.db2.gz NKWUYJFJWOIWDN-UHFFFAOYSA-N 1 2 366.417 2.895 20 30 FFEDLO CCOC(=O)COc1ccc(OCC[N@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000593120250 520759164 /nfs/dbraw/zinc/75/91/64/520759164.db2.gz NKWUYJFJWOIWDN-UHFFFAOYSA-N 1 2 366.417 2.895 20 30 FFEDLO C[C@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1CO ZINC000598648299 520760541 /nfs/dbraw/zinc/76/05/41/520760541.db2.gz FRXZKSPGLYJEJZ-KBPBESRZSA-N 1 2 361.511 2.777 20 30 FFEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1CO ZINC000598648299 520760545 /nfs/dbraw/zinc/76/05/45/520760545.db2.gz FRXZKSPGLYJEJZ-KBPBESRZSA-N 1 2 361.511 2.777 20 30 FFEDLO C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1F)C(=O)N(CCC#N)c1ccccc1 ZINC000595868705 520778707 /nfs/dbraw/zinc/77/87/07/520778707.db2.gz YOPNAZKXAOIDON-IFXJQAMLSA-N 1 2 373.403 2.923 20 30 FFEDLO Cc1cccc(-n2cnc3cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc32)c1 ZINC000598837166 520870427 /nfs/dbraw/zinc/87/04/27/520870427.db2.gz TVRSDEPDMQBKHO-OAQYLSRUSA-N 1 2 361.449 2.908 20 30 FFEDLO C=CCC(CC=C)C(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601644070 520881568 /nfs/dbraw/zinc/88/15/68/520881568.db2.gz RNECLLJJECTAGN-UHFFFAOYSA-N 1 2 360.523 2.636 20 30 FFEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NCC2(C#N)CCCC2)cc1 ZINC000593298524 520892595 /nfs/dbraw/zinc/89/25/95/520892595.db2.gz QGTVSZBNOXDLJC-IBGZPJMESA-N 1 2 370.497 2.752 20 30 FFEDLO N#Cc1cc(O)cc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c1 ZINC000614296768 520895113 /nfs/dbraw/zinc/89/51/13/520895113.db2.gz SEUMEOBUWVWTLV-UHFFFAOYSA-N 1 2 350.422 2.969 20 30 FFEDLO N#Cc1cc(O)cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000614293377 520895331 /nfs/dbraw/zinc/89/53/31/520895331.db2.gz CLNALDUNYSLCDH-UHFFFAOYSA-N 1 2 353.397 2.751 20 30 FFEDLO N#Cc1cc(O)cc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000614293377 520895338 /nfs/dbraw/zinc/89/53/38/520895338.db2.gz CLNALDUNYSLCDH-UHFFFAOYSA-N 1 2 353.397 2.751 20 30 FFEDLO CNC(=O)C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccnc(C#N)c1 ZINC000610994551 520936300 /nfs/dbraw/zinc/93/63/00/520936300.db2.gz GTMAZYJGJWFIEM-UHFFFAOYSA-N 1 2 362.355 2.720 20 30 FFEDLO CNC(=O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccnc(C#N)c1 ZINC000610994551 520936308 /nfs/dbraw/zinc/93/63/08/520936308.db2.gz GTMAZYJGJWFIEM-UHFFFAOYSA-N 1 2 362.355 2.720 20 30 FFEDLO COc1ccc(Cl)cc1CN1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610995358 520936524 /nfs/dbraw/zinc/93/65/24/520936524.db2.gz XWXXEKPWQHHTEM-UHFFFAOYSA-N 1 2 356.857 2.933 20 30 FFEDLO COc1ccc(Cl)cc1C[NH+]1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000610995358 520936530 /nfs/dbraw/zinc/93/65/30/520936530.db2.gz XWXXEKPWQHHTEM-UHFFFAOYSA-N 1 2 356.857 2.933 20 30 FFEDLO C[C@@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)[NH+]1CCSCC1 ZINC000611012000 520946691 /nfs/dbraw/zinc/94/66/91/520946691.db2.gz AQUFNBKKBMJENE-FZMZJTMJSA-N 1 2 357.401 2.824 20 30 FFEDLO C[C@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)[NH+]1CCSCC1 ZINC000611011999 520946821 /nfs/dbraw/zinc/94/68/21/520946821.db2.gz AQUFNBKKBMJENE-BXUZGUMPSA-N 1 2 357.401 2.824 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC000611089172 520979017 /nfs/dbraw/zinc/97/90/17/520979017.db2.gz DTTTTXMLOHBUTM-INIZCTEOSA-N 1 2 358.438 2.961 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC000611089172 520979026 /nfs/dbraw/zinc/97/90/26/520979026.db2.gz DTTTTXMLOHBUTM-INIZCTEOSA-N 1 2 358.438 2.961 20 30 FFEDLO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCc4scnc43)C2=O)cc1 ZINC000599043827 520996632 /nfs/dbraw/zinc/99/66/32/520996632.db2.gz MVSCTYJPLIULPM-CVEARBPZSA-N 1 2 352.463 2.783 20 30 FFEDLO Cc1cc(N(CC[NH+]2CCOCC2)Cc2ccco2)cc(C#N)c1[N+](=O)[O-] ZINC000596259983 520998405 /nfs/dbraw/zinc/99/84/05/520998405.db2.gz FCKFNCLPVZAVDJ-UHFFFAOYSA-N 1 2 370.409 2.707 20 30 FFEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000614546572 521021036 /nfs/dbraw/zinc/02/10/36/521021036.db2.gz YRKPWHOOBCJSDX-SFHVURJKSA-N 1 2 354.454 2.767 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCN(CCC#N)CC1 ZINC000611174590 521023559 /nfs/dbraw/zinc/02/35/59/521023559.db2.gz LZYZEAHQGHNKIV-ZDUSSCGKSA-N 1 2 354.376 2.564 20 30 FFEDLO N#Cc1cccc2c1CN(c1cc(C[NH+]3CCOCC3)ccc1[N+](=O)[O-])C2 ZINC000593520915 521047739 /nfs/dbraw/zinc/04/77/39/521047739.db2.gz RUTABIBUBBMRFC-UHFFFAOYSA-N 1 2 364.405 2.819 20 30 FFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601971625 521048806 /nfs/dbraw/zinc/04/88/06/521048806.db2.gz DAEBCIAYOGVCMM-DIODGJHASA-N 1 2 357.445 2.662 20 30 FFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601971625 521048811 /nfs/dbraw/zinc/04/88/11/521048811.db2.gz DAEBCIAYOGVCMM-DIODGJHASA-N 1 2 357.445 2.662 20 30 FFEDLO Cc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1[N+](=O)[O-] ZINC000611260286 521063459 /nfs/dbraw/zinc/06/34/59/521063459.db2.gz QDUXQDAZLVWJQX-UHFFFAOYSA-N 1 2 367.409 2.963 20 30 FFEDLO C[C@H]1CN(c2ccc(C[NH2+]Cc3cccc(F)c3C#N)cn2)C[C@H](C)O1 ZINC000602004074 521071933 /nfs/dbraw/zinc/07/19/33/521071933.db2.gz KOJGELBEYGQNEQ-GJZGRUSLSA-N 1 2 354.429 2.996 20 30 FFEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000593559311 521077023 /nfs/dbraw/zinc/07/70/23/521077023.db2.gz HKTBGMPPYYUPTQ-AWEZNQCLSA-N 1 2 358.467 2.779 20 30 FFEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000599200917 521083046 /nfs/dbraw/zinc/08/30/46/521083046.db2.gz XMDWQNMMZAHPIF-INIZCTEOSA-N 1 2 354.410 2.877 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602042153 521097771 /nfs/dbraw/zinc/09/77/71/521097771.db2.gz JLEVFXQOKJDXHI-INIZCTEOSA-N 1 2 369.400 2.606 20 30 FFEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)CC2 ZINC000599234608 521099552 /nfs/dbraw/zinc/09/95/52/521099552.db2.gz WZKLICNKIZVEJP-HIFRSBDPSA-N 1 2 373.254 2.898 20 30 FFEDLO Cc1ccc(-c2noc(C[NH+]3CCN(c4nc(C#N)ccc4C)CC3)n2)cc1 ZINC000611398857 521136251 /nfs/dbraw/zinc/13/62/51/521136251.db2.gz KUBJGBBEQGTIOK-UHFFFAOYSA-N 1 2 374.448 2.942 20 30 FFEDLO Cc1cn2ccc(C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)cc2[nH+]1 ZINC000602089645 521136243 /nfs/dbraw/zinc/13/62/43/521136243.db2.gz OOUNHBZHFGLUQM-UHFFFAOYSA-N 1 2 363.396 2.616 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCc2ccc(C#N)cc2F)cc1 ZINC000602094784 521137589 /nfs/dbraw/zinc/13/75/89/521137589.db2.gz WGCHOMJVYNGOCD-LJQANCHMSA-N 1 2 353.397 2.597 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCc2ccc(C#N)cc2F)cc1 ZINC000602094784 521137602 /nfs/dbraw/zinc/13/76/02/521137602.db2.gz WGCHOMJVYNGOCD-LJQANCHMSA-N 1 2 353.397 2.597 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598893 521157767 /nfs/dbraw/zinc/15/77/67/521157767.db2.gz NPIPEDRJTSMVBG-HNNXBMFYSA-N 1 2 357.502 2.536 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598893 521157773 /nfs/dbraw/zinc/15/77/73/521157773.db2.gz NPIPEDRJTSMVBG-HNNXBMFYSA-N 1 2 357.502 2.536 20 30 FFEDLO CC(C)(C)OC(=O)c1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000611440232 521159046 /nfs/dbraw/zinc/15/90/46/521159046.db2.gz QZPJHNBBDVNMHQ-GOSISDBHSA-N 1 2 365.433 2.830 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000602129154 521162054 /nfs/dbraw/zinc/16/20/54/521162054.db2.gz NMLZFSLQZSHUEZ-HXUWFJFHSA-N 1 2 361.445 2.947 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000602129154 521162064 /nfs/dbraw/zinc/16/20/64/521162064.db2.gz NMLZFSLQZSHUEZ-HXUWFJFHSA-N 1 2 361.445 2.947 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000602145157 521170984 /nfs/dbraw/zinc/17/09/84/521170984.db2.gz XSCZOSWULIEVQV-RTWAWAEBSA-N 1 2 361.445 2.945 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000602145157 521170995 /nfs/dbraw/zinc/17/09/95/521170995.db2.gz XSCZOSWULIEVQV-RTWAWAEBSA-N 1 2 361.445 2.945 20 30 FFEDLO Cc1cccn2cc(CCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[nH+]c12 ZINC000611543072 521212444 /nfs/dbraw/zinc/21/24/44/521212444.db2.gz LTESRENPHBFGGW-FQEVSTJZSA-N 1 2 370.453 2.563 20 30 FFEDLO N#Cc1sccc1N1CC[NH+]([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000599462841 521240273 /nfs/dbraw/zinc/24/02/73/521240273.db2.gz RWOQMMXXQLQLLB-KRWDZBQOSA-N 1 2 358.511 2.675 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)cc1 ZINC000596729894 521250142 /nfs/dbraw/zinc/25/01/42/521250142.db2.gz KUDNHPOTQLRRAR-NHYWBVRUSA-N 1 2 359.227 2.658 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Br)cc1 ZINC000596729894 521250154 /nfs/dbraw/zinc/25/01/54/521250154.db2.gz KUDNHPOTQLRRAR-NHYWBVRUSA-N 1 2 359.227 2.658 20 30 FFEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C#N)c1ccccc1Br)CC2 ZINC000599489253 521255479 /nfs/dbraw/zinc/25/54/79/521255479.db2.gz UGVOYFBVEGGZTB-DOMZBBRYSA-N 1 2 373.254 2.898 20 30 FFEDLO C[C@]1(C#N)CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000615231300 521326416 /nfs/dbraw/zinc/32/64/16/521326416.db2.gz NSIOTODLBIPGPG-GOEBONIOSA-N 1 2 371.250 2.954 20 30 FFEDLO C[C@]1(C#N)CCC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000615231300 521326426 /nfs/dbraw/zinc/32/64/26/521326426.db2.gz NSIOTODLBIPGPG-GOEBONIOSA-N 1 2 371.250 2.954 20 30 FFEDLO CCOC(=O)[C@@H](CC(C)C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611800295 521339269 /nfs/dbraw/zinc/33/92/69/521339269.db2.gz VJEJZZRUQUKDRF-RTBURBONSA-N 1 2 361.461 2.986 20 30 FFEDLO CCOC(=O)c1c(C)onc1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599629517 521343407 /nfs/dbraw/zinc/34/34/07/521343407.db2.gz HPEAESYWXIXGRP-UHFFFAOYSA-N 1 2 369.421 2.827 20 30 FFEDLO COCCc1ncc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)s1 ZINC000602449031 521351120 /nfs/dbraw/zinc/35/11/20/521351120.db2.gz AIKKGAUMXIPMOE-UHFFFAOYSA-N 1 2 360.458 2.665 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000599641312 521353588 /nfs/dbraw/zinc/35/35/88/521353588.db2.gz MWQYTMVXWSLDAK-HNNXBMFYSA-N 1 2 369.450 2.573 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000599641312 521353597 /nfs/dbraw/zinc/35/35/97/521353597.db2.gz MWQYTMVXWSLDAK-HNNXBMFYSA-N 1 2 369.450 2.573 20 30 FFEDLO Cc1cnc(OC2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)nc1 ZINC000594019756 521353753 /nfs/dbraw/zinc/35/37/53/521353753.db2.gz RUWYDQQTGQRJMY-HNNXBMFYSA-N 1 2 365.437 2.527 20 30 FFEDLO Cc1cnc(OC2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)nc1 ZINC000594020929 521353791 /nfs/dbraw/zinc/35/37/91/521353791.db2.gz LRJSHHODGXCEQW-HNNXBMFYSA-N 1 2 365.437 2.527 20 30 FFEDLO COC(=O)c1ccc(NC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000599677234 521392109 /nfs/dbraw/zinc/39/21/09/521392109.db2.gz IOQPPUKRGCWAKQ-UHFFFAOYSA-N 1 2 363.417 2.536 20 30 FFEDLO COC(=O)c1ccc(NC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000599677234 521392120 /nfs/dbraw/zinc/39/21/20/521392120.db2.gz IOQPPUKRGCWAKQ-UHFFFAOYSA-N 1 2 363.417 2.536 20 30 FFEDLO COc1ccc(NC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)c(OC)c1 ZINC000599685236 521400682 /nfs/dbraw/zinc/40/06/82/521400682.db2.gz BDUYUTOEKKQPNX-UHFFFAOYSA-N 1 2 365.433 2.767 20 30 FFEDLO COc1ccc(NC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)c(OC)c1 ZINC000599685236 521400686 /nfs/dbraw/zinc/40/06/86/521400686.db2.gz BDUYUTOEKKQPNX-UHFFFAOYSA-N 1 2 365.433 2.767 20 30 FFEDLO Cc1cc(NCCNC(=O)Nc2ccc(CC#N)cc2)nc(C(C)C)[nH+]1 ZINC000599708376 521418048 /nfs/dbraw/zinc/41/80/48/521418048.db2.gz WQROXRMXIAOAIQ-UHFFFAOYSA-N 1 2 352.442 2.630 20 30 FFEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[C@](F)(C#N)C2)C[C@@H](C)O1 ZINC000615531576 521431434 /nfs/dbraw/zinc/43/14/34/521431434.db2.gz QBCPNRNMCRSOJF-CLCXKQKWSA-N 1 2 360.433 2.765 20 30 FFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000594278484 521530506 /nfs/dbraw/zinc/53/05/06/521530506.db2.gz RDOLBVJGECKKNS-LBPRGKRZSA-N 1 2 350.344 2.812 20 30 FFEDLO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1ccccc1S(N)(=O)=O ZINC000597137147 521531462 /nfs/dbraw/zinc/53/14/62/521531462.db2.gz ZNAUEBFQGINJHC-UHFFFAOYSA-N 1 2 355.463 2.521 20 30 FFEDLO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1ccccc1S(N)(=O)=O ZINC000597137147 521531466 /nfs/dbraw/zinc/53/14/66/521531466.db2.gz ZNAUEBFQGINJHC-UHFFFAOYSA-N 1 2 355.463 2.521 20 30 FFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000594285822 521537944 /nfs/dbraw/zinc/53/79/44/521537944.db2.gz GJONCVWUQAQDDZ-HZMBPMFUSA-N 1 2 352.316 2.868 20 30 FFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000594285822 521537955 /nfs/dbraw/zinc/53/79/55/521537955.db2.gz GJONCVWUQAQDDZ-HZMBPMFUSA-N 1 2 352.316 2.868 20 30 FFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000594308403 521550076 /nfs/dbraw/zinc/55/00/76/521550076.db2.gz URIGHMORCGWPIJ-KRWDZBQOSA-N 1 2 363.461 2.787 20 30 FFEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)c2ccc(C(F)(F)F)c(C#N)n2)C1 ZINC000619697568 521829148 /nfs/dbraw/zinc/82/91/48/521829148.db2.gz SMXKWBDJNNBJTJ-CYBMUJFWSA-N 1 2 354.376 2.519 20 30 FFEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)c2ccc(C(F)(F)F)c(C#N)n2)C1 ZINC000619697568 521829159 /nfs/dbraw/zinc/82/91/59/521829159.db2.gz SMXKWBDJNNBJTJ-CYBMUJFWSA-N 1 2 354.376 2.519 20 30 FFEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1Cl ZINC000619769915 521862458 /nfs/dbraw/zinc/86/24/58/521862458.db2.gz SURQEGSSBQJHOJ-UHFFFAOYSA-N 1 2 369.856 2.634 20 30 FFEDLO C=CCCOCCNC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000623809525 522296287 /nfs/dbraw/zinc/29/62/87/522296287.db2.gz HIAFHUQOBDODKW-UHFFFAOYSA-N 1 2 356.470 2.588 20 30 FFEDLO C=CC[C@@H]1CCN(C(=O)c2ccc(NCC[NH+]3CCOCC3)c(F)c2)C1 ZINC000633671778 522910852 /nfs/dbraw/zinc/91/08/52/522910852.db2.gz HCKFZDRXRNLSDH-MRXNPFEDSA-N 1 2 361.461 2.608 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)cc1OC ZINC000628240675 523434443 /nfs/dbraw/zinc/43/44/43/523434443.db2.gz OPMQYIWADTWTNY-UHFFFAOYSA-N 1 2 361.829 2.967 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCc3n[nH]c(=O)cc3C2)cc1OC ZINC000628240675 523434454 /nfs/dbraw/zinc/43/44/54/523434454.db2.gz OPMQYIWADTWTNY-UHFFFAOYSA-N 1 2 361.829 2.967 20 30 FFEDLO Cc1cc(=NC(=O)N2CC[NH+](Cc3cccs3)CC2)[nH]n1CCC#N ZINC000611481604 554636780 /nfs/dbraw/zinc/63/67/80/554636780.db2.gz YFIZLALLZCMSSP-UHFFFAOYSA-N 1 2 358.471 2.516 20 30 FFEDLO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCn3c[nH+]cc3C2)n1 ZINC000516217504 562036475 /nfs/dbraw/zinc/03/64/75/562036475.db2.gz LQTBKCHRBKKMTH-UHFFFAOYSA-N 1 2 367.800 2.642 20 30 FFEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824633055 608459494 /nfs/dbraw/zinc/45/94/94/608459494.db2.gz GXNIARYSUNMBPT-LBPRGKRZSA-N 1 2 372.392 2.639 20 30 FFEDLO Cc1cc(Cl)nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1C#N ZINC001165010206 721696035 /nfs/dbraw/zinc/69/60/35/721696035.db2.gz UBPUWCYWMBCQPF-UHFFFAOYSA-N 1 2 373.892 2.757 20 30 FFEDLO Cc1cc(Cl)nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1C#N ZINC001165010206 721696043 /nfs/dbraw/zinc/69/60/43/721696043.db2.gz UBPUWCYWMBCQPF-UHFFFAOYSA-N 1 2 373.892 2.757 20 30 FFEDLO C#CC[NH+]1CCN(Cn2nc(Nc3cccc(F)c3)sc2=S)CC1 ZINC000044756707 727991888 /nfs/dbraw/zinc/99/18/88/727991888.db2.gz WCNJPZWUPBQDOS-UHFFFAOYSA-N 1 2 363.487 2.765 20 30 FFEDLO C=CCn1c(C)nn(C[N@@H+]2C[C@@H](C(=O)NCCCC)CC[C@H]2C)c1=S ZINC000068964499 728194309 /nfs/dbraw/zinc/19/43/09/728194309.db2.gz XSRDESDODVJEFP-ZBFHGGJFSA-N 1 2 365.547 2.883 20 30 FFEDLO C=CCn1c(C)nn(C[N@H+]2C[C@@H](C(=O)NCCCC)CC[C@H]2C)c1=S ZINC000068964499 728194311 /nfs/dbraw/zinc/19/43/11/728194311.db2.gz XSRDESDODVJEFP-ZBFHGGJFSA-N 1 2 365.547 2.883 20 30 FFEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](C)C[C@H]2CCCOC2)c1=S ZINC000107672177 728517043 /nfs/dbraw/zinc/51/70/43/728517043.db2.gz LZXQGKOIKLGNPY-OAHLLOKOSA-N 1 2 359.499 2.978 20 30 FFEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](C)C[C@H]2CCCOC2)c1=S ZINC000107672177 728517046 /nfs/dbraw/zinc/51/70/46/728517046.db2.gz LZXQGKOIKLGNPY-OAHLLOKOSA-N 1 2 359.499 2.978 20 30 FFEDLO CN(Cc1cc[nH]n1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328848639 729795434 /nfs/dbraw/zinc/79/54/34/729795434.db2.gz RCULUNAOMWBMRG-HZPDHXFCSA-N 1 2 365.840 2.993 20 30 FFEDLO CN(Cc1cc[nH]n1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328848639 729795437 /nfs/dbraw/zinc/79/54/37/729795437.db2.gz RCULUNAOMWBMRG-HZPDHXFCSA-N 1 2 365.840 2.993 20 30 FFEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccns1 ZINC000858964799 730438289 /nfs/dbraw/zinc/43/82/89/730438289.db2.gz FUCNWOQTHHWQCA-AWEZNQCLSA-N 1 2 355.467 2.603 20 30 FFEDLO Nc1nc(Cl)c(C=[NH+]Nc2cccc([N+](=O)[O-])c2)c(N2CCCC2)n1 ZINC000863951584 730817807 /nfs/dbraw/zinc/81/78/07/730817807.db2.gz MAWYMIHVEIKOFW-UHFFFAOYSA-N 1 2 361.793 2.667 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+](C[C@@H](O)c1cc(Br)no1)C2 ZINC000879064430 732639789 /nfs/dbraw/zinc/63/97/89/732639789.db2.gz GDYWFLGWWNUFFL-CQSZACIVSA-N 1 2 362.227 2.595 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+](C[C@@H](O)c1cc(Br)no1)C2 ZINC000879064430 732639793 /nfs/dbraw/zinc/63/97/93/732639793.db2.gz GDYWFLGWWNUFFL-CQSZACIVSA-N 1 2 362.227 2.595 20 30 FFEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC000880326164 732891401 /nfs/dbraw/zinc/89/14/01/732891401.db2.gz DVDAVPSEVMOARF-OLZOCXBDSA-N 1 2 352.456 2.535 20 30 FFEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC000880326164 732891407 /nfs/dbraw/zinc/89/14/07/732891407.db2.gz DVDAVPSEVMOARF-OLZOCXBDSA-N 1 2 352.456 2.535 20 30 FFEDLO C=C[C@H](O)C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000668539475 733136492 /nfs/dbraw/zinc/13/64/92/733136492.db2.gz XJAXBKDRZNDLED-INIZCTEOSA-N 1 2 351.809 2.641 20 30 FFEDLO C#CC[C@@H](NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)c1ccccc1 ZINC000882020056 733156800 /nfs/dbraw/zinc/15/68/00/733156800.db2.gz VKKKOWQMDFMNBL-LJQANCHMSA-N 1 2 354.475 2.717 20 30 FFEDLO C#CC[C@@H](NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)c1ccccc1 ZINC000882020056 733156802 /nfs/dbraw/zinc/15/68/02/733156802.db2.gz VKKKOWQMDFMNBL-LJQANCHMSA-N 1 2 354.475 2.717 20 30 FFEDLO C=CCn1c2ncn(Cc3cc[nH+]c(N(C)C)c3)c(=O)c2sc1=S ZINC000782113363 738690130 /nfs/dbraw/zinc/69/01/30/738690130.db2.gz YVHRTPUJEVPJKZ-UHFFFAOYSA-N 1 2 359.480 2.684 20 30 FFEDLO C#CCN(CC)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782756651 738754178 /nfs/dbraw/zinc/75/41/78/738754178.db2.gz AEFDVMDERZNIAR-NVXWUHKLSA-N 1 2 353.388 2.904 20 30 FFEDLO C#CCN(CC)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782756651 738754181 /nfs/dbraw/zinc/75/41/81/738754181.db2.gz AEFDVMDERZNIAR-NVXWUHKLSA-N 1 2 353.388 2.904 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949216 738766944 /nfs/dbraw/zinc/76/69/44/738766944.db2.gz RLMYYUWHTCVCHD-RISCZKNCSA-N 1 2 368.275 2.781 20 30 FFEDLO C[C@@H]1CCC[C@H](C)N1C(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949825 738767482 /nfs/dbraw/zinc/76/74/82/738767482.db2.gz NAESNSFEBQXLIF-TXEJJXNPSA-N 1 2 368.275 2.876 20 30 FFEDLO C[NH+](C)Cc1csc(CNC(=O)c2cc3ccccc3n2CC#N)n1 ZINC000927770175 738781081 /nfs/dbraw/zinc/78/10/81/738781081.db2.gz SJQFFMYFEFHPOL-UHFFFAOYSA-N 1 2 353.451 2.613 20 30 FFEDLO N#CCCSc1ccccc1NC(=S)NCCC[NH+]1CCOCC1 ZINC000730953109 734658860 /nfs/dbraw/zinc/65/88/60/734658860.db2.gz NSUPKDPCCFMNSQ-UHFFFAOYSA-N 1 2 364.540 2.701 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2csc(C#N)c2)CCCO1 ZINC000894817325 734921578 /nfs/dbraw/zinc/92/15/78/734921578.db2.gz PUWXKVXWVZVCCR-AWEZNQCLSA-N 1 2 351.472 2.735 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2csc(C#N)c2)CCCO1 ZINC000894817325 734921580 /nfs/dbraw/zinc/92/15/80/734921580.db2.gz PUWXKVXWVZVCCR-AWEZNQCLSA-N 1 2 351.472 2.735 20 30 FFEDLO N#Cc1cc(C(F)(F)F)cc(N2CC[NH+](Cc3cncs3)CC2)n1 ZINC000894856765 734928617 /nfs/dbraw/zinc/92/86/17/734928617.db2.gz XFFMTMXXCAPVLI-UHFFFAOYSA-N 1 2 353.373 2.751 20 30 FFEDLO C#CCC1(O)CC[NH+](Cc2ccc(OC)c(O)c2Br)CC1 ZINC000895670922 735039071 /nfs/dbraw/zinc/03/90/71/735039071.db2.gz XNUOOXYGSOFNIS-UHFFFAOYSA-N 1 2 354.244 2.514 20 30 FFEDLO C#CCOCCNC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000784417775 738889434 /nfs/dbraw/zinc/88/94/34/738889434.db2.gz VIOPBNZZXMIGTL-IRXDYDNUSA-N 1 2 367.852 2.563 20 30 FFEDLO C#CCOCCNC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000784417775 738889438 /nfs/dbraw/zinc/88/94/38/738889438.db2.gz VIOPBNZZXMIGTL-IRXDYDNUSA-N 1 2 367.852 2.563 20 30 FFEDLO C#C[C@H](CC)NC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000753195587 736044919 /nfs/dbraw/zinc/04/49/19/736044919.db2.gz YSGQSTBDZWAJCM-ISTRZQFTSA-N 1 2 353.388 2.950 20 30 FFEDLO C#C[C@H](CC)NC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000753195587 736044923 /nfs/dbraw/zinc/04/49/23/736044923.db2.gz YSGQSTBDZWAJCM-ISTRZQFTSA-N 1 2 353.388 2.950 20 30 FFEDLO C#C[C@H](CC)NC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000753195591 736044979 /nfs/dbraw/zinc/04/49/79/736044979.db2.gz YSGQSTBDZWAJCM-PVUWLOKVSA-N 1 2 353.388 2.950 20 30 FFEDLO C#C[C@H](CC)NC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000753195591 736044984 /nfs/dbraw/zinc/04/49/84/736044984.db2.gz YSGQSTBDZWAJCM-PVUWLOKVSA-N 1 2 353.388 2.950 20 30 FFEDLO C#CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000753942784 736108827 /nfs/dbraw/zinc/10/88/27/736108827.db2.gz NVZZQFJUDWVWNH-UHFFFAOYSA-N 1 2 355.419 2.601 20 30 FFEDLO C#CCN(CC#CC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000755101770 736232997 /nfs/dbraw/zinc/23/29/97/736232997.db2.gz XFXAJPKNOQKPGJ-ZWKOTPCHSA-N 1 2 361.848 2.892 20 30 FFEDLO C#CCN(CC#CC)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000755101770 736233000 /nfs/dbraw/zinc/23/30/00/736233000.db2.gz XFXAJPKNOQKPGJ-ZWKOTPCHSA-N 1 2 361.848 2.892 20 30 FFEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)c3ccsc3)CC2)cc1 ZINC000768929737 737478614 /nfs/dbraw/zinc/47/86/14/737478614.db2.gz KEMQTEOVQOJZOI-HNNXBMFYSA-N 1 2 355.463 2.997 20 30 FFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000769962106 737587280 /nfs/dbraw/zinc/58/72/80/737587280.db2.gz XSNWBPPBUKYQSY-LBPRGKRZSA-N 1 2 359.451 2.719 20 30 FFEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000769962106 737587284 /nfs/dbraw/zinc/58/72/84/737587284.db2.gz XSNWBPPBUKYQSY-LBPRGKRZSA-N 1 2 359.451 2.719 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000930551470 739125909 /nfs/dbraw/zinc/12/59/09/739125909.db2.gz CASWCBAUHBDAHQ-ZBFHGGJFSA-N 1 2 354.376 2.575 20 30 FFEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000930761449 739159110 /nfs/dbraw/zinc/15/91/10/739159110.db2.gz ROWHBKYRNNHAMU-GFCCVEGCSA-N 1 2 359.455 2.817 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931945812 739357310 /nfs/dbraw/zinc/35/73/10/739357310.db2.gz YLIFHDUSFQEALA-HIFRSBDPSA-N 1 2 360.483 2.832 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931945812 739357315 /nfs/dbraw/zinc/35/73/15/739357315.db2.gz YLIFHDUSFQEALA-HIFRSBDPSA-N 1 2 360.483 2.832 20 30 FFEDLO C#CC[N@@H+](CC#CC)Cc1ccc(Br)cc1N1CCOCC1 ZINC000789515321 739362081 /nfs/dbraw/zinc/36/20/81/739362081.db2.gz ZTDCAOMJGQQEQH-UHFFFAOYSA-N 1 2 361.283 2.744 20 30 FFEDLO C#CC[N@H+](CC#CC)Cc1ccc(Br)cc1N1CCOCC1 ZINC000789515321 739362083 /nfs/dbraw/zinc/36/20/83/739362083.db2.gz ZTDCAOMJGQQEQH-UHFFFAOYSA-N 1 2 361.283 2.744 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](c3ccn(C)n3)C2)c(C#N)c1C ZINC000932132981 739393210 /nfs/dbraw/zinc/39/32/10/739393210.db2.gz MYNABVJORRIBIS-AWEZNQCLSA-N 1 2 357.483 2.788 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](c3ccn(C)n3)C2)c(C#N)c1C ZINC000932132981 739393216 /nfs/dbraw/zinc/39/32/16/739393216.db2.gz MYNABVJORRIBIS-AWEZNQCLSA-N 1 2 357.483 2.788 20 30 FFEDLO CC(=NNc1[nH+]ccn1C)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000790303661 739435389 /nfs/dbraw/zinc/43/53/89/739435389.db2.gz WPIFLAGXNQVTRN-UHFFFAOYSA-N 1 2 360.361 2.592 20 30 FFEDLO CCCCCCCCC[NH+]1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000792240147 739654071 /nfs/dbraw/zinc/65/40/71/739654071.db2.gz MMENQEWXMVRZQD-UHFFFAOYSA-N 1 2 370.563 2.785 20 30 FFEDLO COC(=O)COc1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cc1 ZINC000794708336 739922038 /nfs/dbraw/zinc/92/20/38/739922038.db2.gz RYPRQJXGIVDLIX-HJWRWDBZSA-N 1 2 360.435 2.653 20 30 FFEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]NC(=S)NC1CCCCC1 ZINC000794866250 739937538 /nfs/dbraw/zinc/93/75/38/739937538.db2.gz PYRVQJCSSWUGGN-UHFFFAOYSA-N 1 2 356.499 2.894 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000950593495 740408957 /nfs/dbraw/zinc/40/89/57/740408957.db2.gz DMIUKASRYRSJES-SJORKVTESA-N 1 2 350.409 2.860 20 30 FFEDLO Cc1cc(OS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)ccc1C#N ZINC000799818581 740454346 /nfs/dbraw/zinc/45/43/46/740454346.db2.gz RRUHUFXFKUJBSI-UHFFFAOYSA-N 1 2 353.403 2.879 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](CCc2csc(C)n2)C1 ZINC000953830919 740478051 /nfs/dbraw/zinc/47/80/51/740478051.db2.gz MMJQTJCHPWKCQF-ROUUACIJSA-N 1 2 363.527 2.508 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000969042282 740728879 /nfs/dbraw/zinc/72/88/79/740728879.db2.gz MZIMNXKEQVYLPB-JJXSEGSLSA-N 1 2 371.319 2.823 20 30 FFEDLO C=C(Br)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000969042282 740728882 /nfs/dbraw/zinc/72/88/82/740728882.db2.gz MZIMNXKEQVYLPB-JJXSEGSLSA-N 1 2 371.319 2.823 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C(C)(C)C1 ZINC000974603422 740885878 /nfs/dbraw/zinc/88/58/78/740885878.db2.gz NJIMBOJDYNQOHV-IKGGRYGDSA-N 1 2 363.889 2.738 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C(C)(C)C1 ZINC000974603422 740885880 /nfs/dbraw/zinc/88/58/80/740885880.db2.gz NJIMBOJDYNQOHV-IKGGRYGDSA-N 1 2 363.889 2.738 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2nc(C)sc2C)CC1(C)C ZINC000975065582 740921383 /nfs/dbraw/zinc/92/13/83/740921383.db2.gz PSXYFXAWVBVLSB-PVAVHDDUSA-N 1 2 363.527 2.678 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2nc(C)sc2C)CC1(C)C ZINC000975065582 740921387 /nfs/dbraw/zinc/92/13/87/740921387.db2.gz PSXYFXAWVBVLSB-PVAVHDDUSA-N 1 2 363.527 2.678 20 30 FFEDLO C[N@H+](CC(=O)NCc1ccco1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000811454359 741524992 /nfs/dbraw/zinc/52/49/92/741524992.db2.gz JTLHLRYTZLALDF-UHFFFAOYSA-N 1 2 351.328 2.918 20 30 FFEDLO C[N@@H+](CC(=O)NCc1ccco1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000811454359 741524994 /nfs/dbraw/zinc/52/49/94/741524994.db2.gz JTLHLRYTZLALDF-UHFFFAOYSA-N 1 2 351.328 2.918 20 30 FFEDLO C#C[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000811898974 741571898 /nfs/dbraw/zinc/57/18/98/741571898.db2.gz XCYYIQBSNANFPO-DLBZAZTESA-N 1 2 354.841 2.987 20 30 FFEDLO C#C[C@H](C)N(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000812193389 741594764 /nfs/dbraw/zinc/59/47/64/741594764.db2.gz HSRSAHMRPVKIOH-CXMBCZLWSA-N 1 2 353.388 2.902 20 30 FFEDLO C#C[C@H](C)N(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000812193389 741594766 /nfs/dbraw/zinc/59/47/66/741594766.db2.gz HSRSAHMRPVKIOH-CXMBCZLWSA-N 1 2 353.388 2.902 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2ccc(Cl)nc2)CC1 ZINC001001163338 742109609 /nfs/dbraw/zinc/10/96/09/742109609.db2.gz LSOAQALKCVQWQN-SJORKVTESA-N 1 2 361.873 2.574 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2ccc(Cl)nc2)CC1 ZINC001001163338 742109612 /nfs/dbraw/zinc/10/96/12/742109612.db2.gz LSOAQALKCVQWQN-SJORKVTESA-N 1 2 361.873 2.574 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC001002847039 742174798 /nfs/dbraw/zinc/17/47/98/742174798.db2.gz NFNJQEDURHCJLU-SJORKVTESA-N 1 2 363.527 2.767 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC001007360233 742327427 /nfs/dbraw/zinc/32/74/27/742327427.db2.gz OYPSHGLJODLTLU-JZXOWHBKSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccncc2Cl)C1 ZINC001007360233 742327433 /nfs/dbraw/zinc/32/74/33/742327433.db2.gz OYPSHGLJODLTLU-JZXOWHBKSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001015721391 742478279 /nfs/dbraw/zinc/47/82/79/742478279.db2.gz HZNJVIVOJMOUEY-INMHGKMJSA-N 1 2 352.837 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001015721391 742478280 /nfs/dbraw/zinc/47/82/80/742478280.db2.gz HZNJVIVOJMOUEY-INMHGKMJSA-N 1 2 352.837 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001015721372 742478393 /nfs/dbraw/zinc/47/83/93/742478393.db2.gz HNTWEGRXBUYERE-XNJGSVPQSA-N 1 2 352.837 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001015721372 742478397 /nfs/dbraw/zinc/47/83/97/742478397.db2.gz HNTWEGRXBUYERE-XNJGSVPQSA-N 1 2 352.837 2.761 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc(C)cs1 ZINC001024708681 742735381 /nfs/dbraw/zinc/73/53/81/742735381.db2.gz YSVKCMUDAHXSEN-RYRKJORJSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1nc(C)cs1 ZINC001024708681 742735383 /nfs/dbraw/zinc/73/53/83/742735383.db2.gz YSVKCMUDAHXSEN-RYRKJORJSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001027449649 742770648 /nfs/dbraw/zinc/77/06/48/742770648.db2.gz FJNMPHVRWNZOJS-KFWWJZLASA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001027449649 742770652 /nfs/dbraw/zinc/77/06/52/742770652.db2.gz FJNMPHVRWNZOJS-KFWWJZLASA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ncc(C)s2)C1 ZINC001027613610 742777231 /nfs/dbraw/zinc/77/72/31/742777231.db2.gz ZOEVOPPVZBHSBK-RYRKJORJSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncc(C)s2)C1 ZINC001027613610 742777233 /nfs/dbraw/zinc/77/72/33/742777233.db2.gz ZOEVOPPVZBHSBK-RYRKJORJSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(Cl)n1 ZINC001027889908 742777794 /nfs/dbraw/zinc/77/77/94/742777794.db2.gz ITQBFIRVBJZUCM-BBWFWOEESA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)n1 ZINC001027889908 742777796 /nfs/dbraw/zinc/77/77/96/742777796.db2.gz ITQBFIRVBJZUCM-BBWFWOEESA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(Cl)s2)C1 ZINC001032043532 742858048 /nfs/dbraw/zinc/85/80/48/742858048.db2.gz HFWQGZDBPWXSAN-HOCLYGCPSA-N 1 2 354.903 2.931 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001033431141 742887024 /nfs/dbraw/zinc/88/70/24/742887024.db2.gz BLPAXDMELLCFIH-NUJGCVRESA-N 1 2 350.409 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001033431141 742887031 /nfs/dbraw/zinc/88/70/31/742887031.db2.gz BLPAXDMELLCFIH-NUJGCVRESA-N 1 2 350.409 2.589 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001033497227 742895276 /nfs/dbraw/zinc/89/52/76/742895276.db2.gz LNMZISCIKHNKDZ-RYRKJORJSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001033497227 742895282 /nfs/dbraw/zinc/89/52/82/742895282.db2.gz LNMZISCIKHNKDZ-RYRKJORJSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001033955369 742907244 /nfs/dbraw/zinc/90/72/44/742907244.db2.gz ZQNJJOPJOLACOO-BBWFWOEESA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001033955369 742907251 /nfs/dbraw/zinc/90/72/51/742907251.db2.gz ZQNJJOPJOLACOO-BBWFWOEESA-N 1 2 363.889 2.749 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001034317431 742918947 /nfs/dbraw/zinc/91/89/47/742918947.db2.gz NNDSCGQEUYCJQW-OAGGEKHMSA-N 1 2 371.319 2.681 20 30 FFEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001034317431 742918951 /nfs/dbraw/zinc/91/89/51/742918951.db2.gz NNDSCGQEUYCJQW-OAGGEKHMSA-N 1 2 371.319 2.681 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1scnc1C ZINC001039923164 742996360 /nfs/dbraw/zinc/99/63/60/742996360.db2.gz OTKWCWRPJGNGHO-TWMKSMIVSA-N 1 2 361.511 2.608 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1scnc1C ZINC001039923164 742996367 /nfs/dbraw/zinc/99/63/67/742996367.db2.gz OTKWCWRPJGNGHO-TWMKSMIVSA-N 1 2 361.511 2.608 20 30 FFEDLO Cc1cc(N2CCN(C(=O)C#Cc3cccs3)CC2)nc(C(C)C)[nH+]1 ZINC000824146779 743026948 /nfs/dbraw/zinc/02/69/48/743026948.db2.gz AFKVLJJBVIEDPE-UHFFFAOYSA-N 1 2 354.479 2.670 20 30 FFEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)O2 ZINC001053675567 744998215 /nfs/dbraw/zinc/99/82/15/744998215.db2.gz PJHNZPKJGKGQIO-FGTMMUONSA-N 1 2 360.885 2.979 20 30 FFEDLO C#C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000833230324 745779573 /nfs/dbraw/zinc/77/95/73/745779573.db2.gz BTUUCIZKTKCORD-HIFRSBDPSA-N 1 2 358.239 2.699 20 30 FFEDLO C#C[C@@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000836411927 746215861 /nfs/dbraw/zinc/21/58/61/746215861.db2.gz XRRKSUIVSFJMTC-HUUCEWRRSA-N 1 2 373.254 2.634 20 30 FFEDLO CN1c2ccccc2C(C)(C)C1=CC(=O)CSC[C@@H]1C[N@H+](C)CCO1 ZINC000842652089 747650086 /nfs/dbraw/zinc/65/00/86/747650086.db2.gz JAAXMQOLOXJAMT-ZVCOJXFSSA-N 1 2 360.523 2.931 20 30 FFEDLO CN1c2ccccc2C(C)(C)C1=CC(=O)CSC[C@@H]1C[N@@H+](C)CCO1 ZINC000842652089 747650090 /nfs/dbraw/zinc/65/00/90/747650090.db2.gz JAAXMQOLOXJAMT-ZVCOJXFSSA-N 1 2 360.523 2.931 20 30 FFEDLO CC(C)(C)OC(=O)N1CCO[C@@H](CO[NH+]=C(N)c2ccc(Cl)cc2)C1 ZINC000853646795 750125689 /nfs/dbraw/zinc/12/56/89/750125689.db2.gz ZZEPVUPJQVVZLI-CQSZACIVSA-N 1 2 369.849 2.613 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4cccc(Cl)c4o3)[C@H]2C1 ZINC001083294206 971180307 /nfs/dbraw/zinc/18/03/07/971180307.db2.gz RIYHUMQYHUXZCL-DOTOQJQBSA-N 1 2 358.825 2.635 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4cccc(Cl)c4o3)[C@H]2C1 ZINC001083294206 971180313 /nfs/dbraw/zinc/18/03/13/971180313.db2.gz RIYHUMQYHUXZCL-DOTOQJQBSA-N 1 2 358.825 2.635 20 30 FFEDLO C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(F)(F)C(F)F)C1 ZINC001105090487 971496565 /nfs/dbraw/zinc/49/65/65/971496565.db2.gz XJOUJKTZXMVMQW-CHWSQXEVSA-N 1 2 354.388 2.554 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)cc1 ZINC000054230457 971571125 /nfs/dbraw/zinc/57/11/25/971571125.db2.gz MWTSLICJJVZWJJ-LJQANCHMSA-N 1 2 373.428 2.985 20 30 FFEDLO Cc1cccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095287803 1013095606 /nfs/dbraw/zinc/09/56/06/1013095606.db2.gz KDSIZBLSAPTTDM-NEWSRXKRSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095287803 1013095624 /nfs/dbraw/zinc/09/56/24/1013095624.db2.gz KDSIZBLSAPTTDM-NEWSRXKRSA-N 1 2 364.424 2.936 20 30 FFEDLO CC1(C)C[N@@H+](C2CN(Cc3cc(Br)ccc3C#N)C2)CCO1 ZINC001141903057 971620200 /nfs/dbraw/zinc/62/02/00/971620200.db2.gz OQLQDQKZVGBEPB-UHFFFAOYSA-N 1 2 364.287 2.616 20 30 FFEDLO CC1(C)C[N@H+](C2CN(Cc3cc(Br)ccc3C#N)C2)CCO1 ZINC001141903057 971620205 /nfs/dbraw/zinc/62/02/05/971620205.db2.gz OQLQDQKZVGBEPB-UHFFFAOYSA-N 1 2 364.287 2.616 20 30 FFEDLO C[C@H]1C[NH+](C2CN(Cc3cc(Br)ccc3C#N)C2)C[C@H](C)O1 ZINC001141907856 971674190 /nfs/dbraw/zinc/67/41/90/971674190.db2.gz RELIJRKDSJHWTL-STQMWFEESA-N 1 2 364.287 2.614 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C4CCC4)n3C)CC[C@@H]2C1 ZINC001088066961 972070830 /nfs/dbraw/zinc/07/08/30/972070830.db2.gz IASYWEVBFHOHIH-SJORKVTESA-N 1 2 371.529 2.575 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C4CCC4)n3C)CC[C@@H]2C1 ZINC001088066961 972070837 /nfs/dbraw/zinc/07/08/37/972070837.db2.gz IASYWEVBFHOHIH-SJORKVTESA-N 1 2 371.529 2.575 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(CCc3ccc(C#N)cc3)CC2)cc1 ZINC001208926060 959886971 /nfs/dbraw/zinc/88/69/71/959886971.db2.gz HFFFFMPKOIFWHX-UHFFFAOYSA-N 1 2 363.461 2.705 20 30 FFEDLO N#CCCCN1C[C@@]2(CC[N@@H+](Cc3ccc(Cl)cc3F)C2)OCC1=O ZINC001275993428 1013262712 /nfs/dbraw/zinc/26/27/12/1013262712.db2.gz JZBVOLAMYROWIC-SFHVURJKSA-N 1 2 365.836 2.586 20 30 FFEDLO N#CCCCN1C[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3F)C2)OCC1=O ZINC001275993428 1013262715 /nfs/dbraw/zinc/26/27/15/1013262715.db2.gz JZBVOLAMYROWIC-SFHVURJKSA-N 1 2 365.836 2.586 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)CC)CCCCC1 ZINC001110177246 1013359044 /nfs/dbraw/zinc/35/90/44/1013359044.db2.gz IMGLGXGGMDRENI-RDGPPVDQSA-N 1 2 373.541 2.596 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)CC)CCCCC1 ZINC001110177246 1013359057 /nfs/dbraw/zinc/35/90/57/1013359057.db2.gz IMGLGXGGMDRENI-RDGPPVDQSA-N 1 2 373.541 2.596 20 30 FFEDLO COc1ccc(Cn2cc(C[NH2+]Cc3ccc(OC)c(C#N)c3)nn2)cc1 ZINC000873094130 1013382697 /nfs/dbraw/zinc/38/26/97/1013382697.db2.gz ZMVCFBYEMUAZFB-UHFFFAOYSA-N 1 2 363.421 2.505 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1noc(-c2ccccc2)n1 ZINC001087134556 963063535 /nfs/dbraw/zinc/06/35/35/963063535.db2.gz WQAOTANBDLSVJM-INMHGKMJSA-N 1 2 367.453 2.613 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(C)o3)[C@@H]2C1 ZINC001075702484 964298195 /nfs/dbraw/zinc/29/81/95/964298195.db2.gz IGQZAEWRCBGCEV-DZGCQCFKSA-N 1 2 353.260 2.572 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(C)o3)[C@@H]2C1 ZINC001075702484 964298209 /nfs/dbraw/zinc/29/82/09/964298209.db2.gz IGQZAEWRCBGCEV-DZGCQCFKSA-N 1 2 353.260 2.572 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCCCC)CCCCC1 ZINC001111483526 964955897 /nfs/dbraw/zinc/95/58/97/964955897.db2.gz HEXKSPAENGPLER-QRVBRYPASA-N 1 2 373.541 2.598 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCCCC)CCCCC1 ZINC001111483526 964955904 /nfs/dbraw/zinc/95/59/04/964955904.db2.gz HEXKSPAENGPLER-QRVBRYPASA-N 1 2 373.541 2.598 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2c(C)noc2CC)C1 ZINC001087469409 965300550 /nfs/dbraw/zinc/30/05/50/965300550.db2.gz AQJCXRXPWREEKE-QZTJIDSGSA-N 1 2 369.440 2.906 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2c(C)noc2CC)C1 ZINC001087469409 965300561 /nfs/dbraw/zinc/30/05/61/965300561.db2.gz AQJCXRXPWREEKE-QZTJIDSGSA-N 1 2 369.440 2.906 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2ccco2)C1 ZINC001087469937 965317308 /nfs/dbraw/zinc/31/73/08/965317308.db2.gz DKPKBVJCFGUZRR-OALUTQOASA-N 1 2 352.434 2.899 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2ccco2)C1 ZINC001087469937 965317321 /nfs/dbraw/zinc/31/73/21/965317321.db2.gz DKPKBVJCFGUZRR-OALUTQOASA-N 1 2 352.434 2.899 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2cc(C)no2)C1 ZINC001087470247 965317849 /nfs/dbraw/zinc/31/78/49/965317849.db2.gz UZRJAPZVLYWGRI-OALUTQOASA-N 1 2 367.449 2.603 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2cc(C)no2)C1 ZINC001087470247 965317859 /nfs/dbraw/zinc/31/78/59/965317859.db2.gz UZRJAPZVLYWGRI-OALUTQOASA-N 1 2 367.449 2.603 20 30 FFEDLO C[C@H]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CC#Cc4ccccc4)C[C@@H]32)CC1 ZINC001083253798 967211409 /nfs/dbraw/zinc/21/14/09/967211409.db2.gz KFDOWORWQNARPO-JKLQHZFJSA-N 1 2 366.505 2.776 20 30 FFEDLO C[C@H]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC#Cc4ccccc4)C[C@@H]32)CC1 ZINC001083253798 967211416 /nfs/dbraw/zinc/21/14/16/967211416.db2.gz KFDOWORWQNARPO-JKLQHZFJSA-N 1 2 366.505 2.776 20 30 FFEDLO Cc1ccc2c(c1)CN(C(=O)N[C@H]1CCN(c3cccc[nH+]3)C1)CCO2 ZINC000329236275 967572268 /nfs/dbraw/zinc/57/22/68/967572268.db2.gz OFLBSEYHYJLJNX-KRWDZBQOSA-N 1 2 352.438 2.777 20 30 FFEDLO CNc1cc(N2CCC[C@H]2CNC(=O)N2CC3(C2)CCCCC3)nc[nH+]1 ZINC000329592379 967830365 /nfs/dbraw/zinc/83/03/65/967830365.db2.gz UIWXTNQVNTYVPE-HNNXBMFYSA-N 1 2 358.490 2.667 20 30 FFEDLO CNc1cc(N2CCC[C@H]2CNC(=O)N2CC3(C2)CCCCC3)[nH+]cn1 ZINC000329592379 967830375 /nfs/dbraw/zinc/83/03/75/967830375.db2.gz UIWXTNQVNTYVPE-HNNXBMFYSA-N 1 2 358.490 2.667 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1nc2c(o1)CCCC2 ZINC001087535462 967883591 /nfs/dbraw/zinc/88/35/91/967883591.db2.gz LKGFGMKDEQZEPY-WMLDXEAASA-N 1 2 367.453 2.536 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1nc2c(o1)CCCC2 ZINC001087535462 967883600 /nfs/dbraw/zinc/88/36/00/967883600.db2.gz LKGFGMKDEQZEPY-WMLDXEAASA-N 1 2 367.453 2.536 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCCN2C(=O)CCc1ccc(C)[nH+]c1C ZINC001271027571 967978976 /nfs/dbraw/zinc/97/89/76/967978976.db2.gz XJMSIYBFEYXSTI-OAQYLSRUSA-N 1 2 355.482 2.801 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1cc(C(C)(C)C)on1 ZINC001087548895 968041775 /nfs/dbraw/zinc/04/17/75/968041775.db2.gz UOECLWGWPYEZRW-DLBZAZTESA-N 1 2 369.469 2.955 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1cc(C(C)(C)C)on1 ZINC001087548895 968041780 /nfs/dbraw/zinc/04/17/80/968041780.db2.gz UOECLWGWPYEZRW-DLBZAZTESA-N 1 2 369.469 2.955 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccc(F)cn2)[C@H]1CC ZINC001087549659 968047138 /nfs/dbraw/zinc/04/71/38/968047138.db2.gz LLLBCQJHUCXISO-GXTWGEPZSA-N 1 2 356.239 2.712 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cn2)[C@H]1CC ZINC001087549659 968047147 /nfs/dbraw/zinc/04/71/47/968047147.db2.gz LLLBCQJHUCXISO-GXTWGEPZSA-N 1 2 356.239 2.712 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)cc(F)c1 ZINC001111482514 968184027 /nfs/dbraw/zinc/18/40/27/968184027.db2.gz NQDXURPSSKQFQU-KURKYZTESA-N 1 2 350.409 2.779 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)cc(F)c1 ZINC001111482514 968184033 /nfs/dbraw/zinc/18/40/33/968184033.db2.gz NQDXURPSSKQFQU-KURKYZTESA-N 1 2 350.409 2.779 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)c3ccccc3[nH]2)[C@H]1CC ZINC001087647451 968488862 /nfs/dbraw/zinc/48/88/62/968488862.db2.gz VJSFIFUSHBSVSV-DOTOQJQBSA-N 1 2 359.857 2.863 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(=O)c3ccccc3[nH]2)[C@H]1CC ZINC001087647451 968488875 /nfs/dbraw/zinc/48/88/75/968488875.db2.gz VJSFIFUSHBSVSV-DOTOQJQBSA-N 1 2 359.857 2.863 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(Cl)nc3)[C@@H]2CC)c1 ZINC001087719002 968718111 /nfs/dbraw/zinc/71/81/11/968718111.db2.gz UYSAYGPQQIGNFD-ZWKOTPCHSA-N 1 2 368.868 2.894 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(Cl)nc3)[C@@H]2CC)c1 ZINC001087719002 968718117 /nfs/dbraw/zinc/71/81/17/968718117.db2.gz UYSAYGPQQIGNFD-ZWKOTPCHSA-N 1 2 368.868 2.894 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CCC4(CCC4)O3)CC2)cc1 ZINC000895407775 970593031 /nfs/dbraw/zinc/59/30/31/970593031.db2.gz HSJZNWIISWCICF-LJQANCHMSA-N 1 2 353.466 2.694 20 30 FFEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000875617459 1014054098 /nfs/dbraw/zinc/05/40/98/1014054098.db2.gz IKXBASVNOUAHGT-MOPGFXCFSA-N 1 2 358.486 2.832 20 30 FFEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000875617459 1014054100 /nfs/dbraw/zinc/05/41/00/1014054100.db2.gz IKXBASVNOUAHGT-MOPGFXCFSA-N 1 2 358.486 2.832 20 30 FFEDLO C#CC[N@H+](Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000897171198 973410943 /nfs/dbraw/zinc/41/09/43/973410943.db2.gz SEYBIWRHASOPNV-MRXNPFEDSA-N 1 2 361.490 2.694 20 30 FFEDLO C#CC[N@@H+](Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000897171198 973410951 /nfs/dbraw/zinc/41/09/51/973410951.db2.gz SEYBIWRHASOPNV-MRXNPFEDSA-N 1 2 361.490 2.694 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)c3ccccc3O)[C@@H]2C1 ZINC001075562914 973636155 /nfs/dbraw/zinc/63/61/55/973636155.db2.gz CXRIVCOWUIEJEO-HNAYVOBHSA-N 1 2 365.408 2.749 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccccc3O)[C@@H]2C1 ZINC001075562914 973636160 /nfs/dbraw/zinc/63/61/60/973636160.db2.gz CXRIVCOWUIEJEO-HNAYVOBHSA-N 1 2 365.408 2.749 20 30 FFEDLO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cnn1CCC#N ZINC000897263017 973695442 /nfs/dbraw/zinc/69/54/42/973695442.db2.gz DTORFECYTSDYKU-QZTJIDSGSA-N 1 2 373.407 2.559 20 30 FFEDLO Cc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cnn1CCC#N ZINC000897263017 973695449 /nfs/dbraw/zinc/69/54/49/973695449.db2.gz DTORFECYTSDYKU-QZTJIDSGSA-N 1 2 373.407 2.559 20 30 FFEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccccc3F)n(C3CC3)c2=S)CC1 ZINC000029436428 974112893 /nfs/dbraw/zinc/11/28/93/974112893.db2.gz SLZVGJRQRAJNOZ-UHFFFAOYSA-N 1 2 371.485 2.763 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2nc(C)oc2C)C1 ZINC001027415427 974387464 /nfs/dbraw/zinc/38/74/64/974387464.db2.gz LDVXCCOKBCZTOO-LMMKCTJWSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nc(C)oc2C)C1 ZINC001027415427 974387471 /nfs/dbraw/zinc/38/74/71/974387471.db2.gz LDVXCCOKBCZTOO-LMMKCTJWSA-N 1 2 361.486 2.695 20 30 FFEDLO COC(=O)c1sccc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000893476284 974585681 /nfs/dbraw/zinc/58/56/81/974585681.db2.gz WUWCNROZERMUTJ-MRXNPFEDSA-N 1 2 369.446 2.692 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001027584562 974927897 /nfs/dbraw/zinc/92/78/97/974927897.db2.gz OQODXJSTAVKIFS-BBWFWOEESA-N 1 2 359.470 2.566 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001027584562 974927902 /nfs/dbraw/zinc/92/79/02/974927902.db2.gz OQODXJSTAVKIFS-BBWFWOEESA-N 1 2 359.470 2.566 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2coc(C)n2)C1 ZINC001027607817 975009721 /nfs/dbraw/zinc/00/97/21/975009721.db2.gz GWSXKMBPTDCIDE-FHWLQOOXSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2coc(C)n2)C1 ZINC001027607817 975009727 /nfs/dbraw/zinc/00/97/27/975009727.db2.gz GWSXKMBPTDCIDE-FHWLQOOXSA-N 1 2 361.486 2.777 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2onc3c2CCCC3)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088746211 975707992 /nfs/dbraw/zinc/70/79/92/975707992.db2.gz QOQBMKPTYACHRT-WBMJQRKESA-N 1 2 370.478 2.879 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2onc3c2CCCC3)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088746211 975707999 /nfs/dbraw/zinc/70/79/99/975707999.db2.gz QOQBMKPTYACHRT-WBMJQRKESA-N 1 2 370.478 2.879 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3ccc(F)cc3O2)[C@H]1C ZINC001088747086 975718302 /nfs/dbraw/zinc/71/83/02/975718302.db2.gz IXXTVPAFVJTKIG-KCXAZCMYSA-N 1 2 352.837 2.851 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3ccc(F)cc3O2)[C@H]1C ZINC001088747086 975718314 /nfs/dbraw/zinc/71/83/14/975718314.db2.gz IXXTVPAFVJTKIG-KCXAZCMYSA-N 1 2 352.837 2.851 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(C)on4)C[C@H]32)cc1 ZINC001075959631 975742215 /nfs/dbraw/zinc/74/22/15/975742215.db2.gz LGQSOEUUEUUYGY-FXAWDEMLSA-N 1 2 367.449 2.894 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(C)on4)C[C@H]32)cc1 ZINC001075959631 975742220 /nfs/dbraw/zinc/74/22/20/975742220.db2.gz LGQSOEUUEUUYGY-FXAWDEMLSA-N 1 2 367.449 2.894 20 30 FFEDLO C=C1CCC(C(=O)NC2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC000980319263 975816557 /nfs/dbraw/zinc/81/65/57/975816557.db2.gz JAXOXAFQTKVJGW-OPQOLIRYSA-N 1 2 370.497 2.803 20 30 FFEDLO C=C1CCC(C(=O)NC2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC000980319263 975816573 /nfs/dbraw/zinc/81/65/73/975816573.db2.gz JAXOXAFQTKVJGW-OPQOLIRYSA-N 1 2 370.497 2.803 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3csnc3OC)[C@@H]2C)cc1 ZINC001088787050 976222868 /nfs/dbraw/zinc/22/28/68/976222868.db2.gz NZDWRLRAHDMXTG-DYVFJYSZSA-N 1 2 355.463 2.526 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3csnc3OC)[C@@H]2C)cc1 ZINC001088787050 976222877 /nfs/dbraw/zinc/22/28/77/976222877.db2.gz NZDWRLRAHDMXTG-DYVFJYSZSA-N 1 2 355.463 2.526 20 30 FFEDLO O=C(N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1)[C@]12CCC[C@H]1OCC2 ZINC000981603319 976642666 /nfs/dbraw/zinc/64/26/66/976642666.db2.gz AYDFMYZXAACXCG-IRLDBZIGSA-N 1 2 370.468 2.671 20 30 FFEDLO O=C(N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1)[C@]12CCC[C@H]1OCC2 ZINC000981603319 976642667 /nfs/dbraw/zinc/64/26/67/976642667.db2.gz AYDFMYZXAACXCG-IRLDBZIGSA-N 1 2 370.468 2.671 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000981659741 976690657 /nfs/dbraw/zinc/69/06/57/976690657.db2.gz DTOVLRCFPJZWSJ-MJGOQNOKSA-N 1 2 359.445 2.547 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000981659741 976690665 /nfs/dbraw/zinc/69/06/65/976690665.db2.gz DTOVLRCFPJZWSJ-MJGOQNOKSA-N 1 2 359.445 2.547 20 30 FFEDLO Cc1cn(C(C)(C)C(=O)N2CCC(Nc3ccccc3C#N)CC2)c[nH+]1 ZINC000898791501 976691925 /nfs/dbraw/zinc/69/19/25/976691925.db2.gz RVCLRNDSQSMJBK-UHFFFAOYSA-N 1 2 351.454 2.901 20 30 FFEDLO Cc1ncc(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)s1 ZINC001075602925 976965489 /nfs/dbraw/zinc/96/54/89/976965489.db2.gz UUKZORKOOLYCPL-WMLDXEAASA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1ncc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)s1 ZINC001075602925 976965503 /nfs/dbraw/zinc/96/55/03/976965503.db2.gz UUKZORKOOLYCPL-WMLDXEAASA-N 1 2 370.453 2.809 20 30 FFEDLO Nc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c[nH+]1 ZINC000899340952 977100073 /nfs/dbraw/zinc/10/00/73/977100073.db2.gz PVKSWTUFBJDOHQ-ONNFQVAWSA-N 1 2 371.462 2.735 20 30 FFEDLO C=CCCn1cc(CN(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)nn1 ZINC000653554469 1014374180 /nfs/dbraw/zinc/37/41/80/1014374180.db2.gz FOHPNOGQQPUZLW-LJQANCHMSA-N 1 2 369.513 2.577 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CCN1Cc1cccc(C#N)c1 ZINC001088822713 977182010 /nfs/dbraw/zinc/18/20/10/977182010.db2.gz DXUQSLYCTNFZAZ-BEFAXECRSA-N 1 2 366.465 2.606 20 30 FFEDLO Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001075615984 977314733 /nfs/dbraw/zinc/31/47/33/977314733.db2.gz FYBBQXKJVRNGSW-IVMMDQJWSA-N 1 2 370.478 2.904 20 30 FFEDLO Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001075615984 977314739 /nfs/dbraw/zinc/31/47/39/977314739.db2.gz FYBBQXKJVRNGSW-IVMMDQJWSA-N 1 2 370.478 2.904 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+](CC(N)=O)C1CCCC1 ZINC000728913272 977440303 /nfs/dbraw/zinc/44/03/03/977440303.db2.gz RIWPVCJLZUFWAN-UNOMPAQXSA-N 1 2 355.482 2.597 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+](CC(N)=O)C1CCCC1 ZINC000728913272 977440308 /nfs/dbraw/zinc/44/03/08/977440308.db2.gz RIWPVCJLZUFWAN-UNOMPAQXSA-N 1 2 355.482 2.597 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cncc(F)c2)C1 ZINC001087463896 978258411 /nfs/dbraw/zinc/25/84/11/978258411.db2.gz GCXPJMIVVBDNOL-RTBURBONSA-N 1 2 355.388 2.581 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cncc(F)c2)C1 ZINC001087463896 978258416 /nfs/dbraw/zinc/25/84/16/978258416.db2.gz GCXPJMIVVBDNOL-RTBURBONSA-N 1 2 355.388 2.581 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(Cl)[nH]3)[C@@H]2C1 ZINC001076218306 979231410 /nfs/dbraw/zinc/23/14/10/979231410.db2.gz GKVBBDNAMNRXQX-CMPLNLGQSA-N 1 2 358.667 2.723 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(Cl)[nH]3)[C@@H]2C1 ZINC001076218306 979231398 /nfs/dbraw/zinc/23/13/98/979231398.db2.gz GKVBBDNAMNRXQX-CMPLNLGQSA-N 1 2 358.667 2.723 20 30 FFEDLO CCc1nocc1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001076216297 979238593 /nfs/dbraw/zinc/23/85/93/979238593.db2.gz SOAWEITUMASASQ-HNAYVOBHSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1nocc1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001076216297 979238601 /nfs/dbraw/zinc/23/86/01/979238601.db2.gz SOAWEITUMASASQ-HNAYVOBHSA-N 1 2 368.412 2.594 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H]1C)n1cccn1 ZINC001088477370 979780895 /nfs/dbraw/zinc/78/08/95/979780895.db2.gz ZAKQUXRLXFVZHS-GJYPPUQNSA-N 1 2 370.884 2.728 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1C)n1cccn1 ZINC001088477370 979780903 /nfs/dbraw/zinc/78/09/03/979780903.db2.gz ZAKQUXRLXFVZHS-GJYPPUQNSA-N 1 2 370.884 2.728 20 30 FFEDLO CCCCCCN(O)C(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000904204759 980214482 /nfs/dbraw/zinc/21/44/82/980214482.db2.gz UPUMNXHGQFVEFW-CRAIPNDOSA-N 1 2 364.490 2.908 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088573710 981174008 /nfs/dbraw/zinc/17/40/08/981174008.db2.gz DVZSUDOCFGOFRA-UDDICAGYSA-N 1 2 373.472 2.837 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088573710 981174013 /nfs/dbraw/zinc/17/40/13/981174013.db2.gz DVZSUDOCFGOFRA-UDDICAGYSA-N 1 2 373.472 2.837 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)/C=C\C(C)(C)C ZINC001212047522 981475428 /nfs/dbraw/zinc/47/54/28/981475428.db2.gz KDCSGQBIAOFAOT-DBBWNDPISA-N 1 2 358.457 2.595 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)/C=C\C(C)(C)C ZINC001212047522 981475431 /nfs/dbraw/zinc/47/54/31/981475431.db2.gz KDCSGQBIAOFAOT-DBBWNDPISA-N 1 2 358.457 2.595 20 30 FFEDLO CCC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001212053191 981478023 /nfs/dbraw/zinc/47/80/23/981478023.db2.gz SPEWAYIHAYGHSK-KFKAGJAMSA-N 1 2 362.901 2.943 20 30 FFEDLO CCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001212053191 981478024 /nfs/dbraw/zinc/47/80/24/981478024.db2.gz SPEWAYIHAYGHSK-KFKAGJAMSA-N 1 2 362.901 2.943 20 30 FFEDLO Cc1cc(C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c(C)s1 ZINC001272146508 981812187 /nfs/dbraw/zinc/81/21/87/981812187.db2.gz LDXPKAFNFZHOEE-UHFFFAOYSA-N 1 2 354.479 2.533 20 30 FFEDLO COC(=O)/C=C\c1ccc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)o1 ZINC000897596434 982373157 /nfs/dbraw/zinc/37/31/57/982373157.db2.gz PYKLPPBXPLPTBH-QWUACUGRSA-N 1 2 352.390 2.911 20 30 FFEDLO COC(=O)/C=C\c1ccc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)o1 ZINC000897596434 982373162 /nfs/dbraw/zinc/37/31/62/982373162.db2.gz PYKLPPBXPLPTBH-QWUACUGRSA-N 1 2 352.390 2.911 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000897754437 982495852 /nfs/dbraw/zinc/49/58/52/982495852.db2.gz TZCCIBKYAPTQJO-FUHWJXTLSA-N 1 2 354.454 2.602 20 30 FFEDLO CC(C)N(C)C(=O)[C@@H](C)O[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000842027582 982621812 /nfs/dbraw/zinc/62/18/12/982621812.db2.gz UVTBMVJDHXXTBN-OAHLLOKOSA-N 1 2 370.453 2.553 20 30 FFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000029228935 984142907 /nfs/dbraw/zinc/14/29/07/984142907.db2.gz DHLNKHTYZCKDJO-QGZVFWFLSA-N 1 2 372.856 2.933 20 30 FFEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000878387896 1015020771 /nfs/dbraw/zinc/02/07/71/1015020771.db2.gz FWSUYLRLSXKGRN-NVXWUHKLSA-N 1 2 374.485 2.836 20 30 FFEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000878387896 1015020785 /nfs/dbraw/zinc/02/07/85/1015020785.db2.gz FWSUYLRLSXKGRN-NVXWUHKLSA-N 1 2 374.485 2.836 20 30 FFEDLO C#CC[NH+]1CCN(Cn2nc(C3CC3)n(Cc3ccccc3)c2=S)CC1 ZINC000044756523 984344121 /nfs/dbraw/zinc/34/41/21/984344121.db2.gz PYVNSXGBEXBYCG-UHFFFAOYSA-N 1 2 367.522 2.548 20 30 FFEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(C3CC3)nn1C)CC2 ZINC001107326812 984454960 /nfs/dbraw/zinc/45/49/60/984454960.db2.gz HZKHEMYEOXRXGB-OXQOHEQNSA-N 1 2 357.502 2.520 20 30 FFEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nc(C3CC3)nn1C)CC2 ZINC001107326812 984454964 /nfs/dbraw/zinc/45/49/64/984454964.db2.gz HZKHEMYEOXRXGB-OXQOHEQNSA-N 1 2 357.502 2.520 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(=O)Nc3ccc(OC)cc3)[C@@H]2C)C1 ZINC001088840354 984477389 /nfs/dbraw/zinc/47/73/89/984477389.db2.gz FZWCAOQMBYAHDB-QAPCUYQASA-N 1 2 371.481 2.569 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(=O)Nc3ccc(OC)cc3)[C@@H]2C)C1 ZINC001088840354 984477391 /nfs/dbraw/zinc/47/73/91/984477391.db2.gz FZWCAOQMBYAHDB-QAPCUYQASA-N 1 2 371.481 2.569 20 30 FFEDLO C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnc(C(C)(C)C)[nH]1)CC2 ZINC001107384764 984495262 /nfs/dbraw/zinc/49/52/62/984495262.db2.gz QCBWFCRFEKQCQW-IIBYNOLFSA-N 1 2 371.529 2.767 20 30 FFEDLO C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)CC2 ZINC001107384764 984495273 /nfs/dbraw/zinc/49/52/73/984495273.db2.gz QCBWFCRFEKQCQW-IIBYNOLFSA-N 1 2 371.529 2.767 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C3(C)OCCO3)CC2)c(C#N)c1C ZINC000760902000 984567921 /nfs/dbraw/zinc/56/79/21/984567921.db2.gz ZGSVAPWCPQZUDY-CYBMUJFWSA-N 1 2 361.442 2.570 20 30 FFEDLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@@H]1COC(=O)Cc1ccccc1CC#N ZINC000761108091 984792426 /nfs/dbraw/zinc/79/24/26/984792426.db2.gz HOTPWJLNSGXQGH-GOSISDBHSA-N 1 2 372.465 2.644 20 30 FFEDLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@@H]1COC(=O)Cc1ccccc1CC#N ZINC000761108091 984792434 /nfs/dbraw/zinc/79/24/34/984792434.db2.gz HOTPWJLNSGXQGH-GOSISDBHSA-N 1 2 372.465 2.644 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)cc2F)C[C@H]1OC ZINC001212184954 984984618 /nfs/dbraw/zinc/98/46/18/984984618.db2.gz JXJKDCPBUACECA-MORSLUCNSA-N 1 2 350.409 2.645 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)cc2F)C[C@H]1OC ZINC001212184954 984984626 /nfs/dbraw/zinc/98/46/26/984984626.db2.gz JXJKDCPBUACECA-MORSLUCNSA-N 1 2 350.409 2.645 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ocnc2C2CC2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088856419 985037845 /nfs/dbraw/zinc/03/78/45/985037845.db2.gz NDUNXEPUGQZFCN-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ocnc2C2CC2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088856419 985037857 /nfs/dbraw/zinc/03/78/57/985037857.db2.gz NDUNXEPUGQZFCN-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO CC(=O)[C@](C#N)(CC[NH+]1CCN(c2cnccc2C)CC1)c1ccccc1 ZINC000878550719 1015097926 /nfs/dbraw/zinc/09/79/26/1015097926.db2.gz BRUASARBEKSVPR-JOCHJYFZSA-N 1 2 362.477 2.953 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2coc(C3CC3)n2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088903508 985399450 /nfs/dbraw/zinc/39/94/50/985399450.db2.gz VAEUNUTWPZHKRV-KDOFPFPSSA-N 1 2 367.424 2.935 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2coc(C3CC3)n2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088903508 985399460 /nfs/dbraw/zinc/39/94/60/985399460.db2.gz VAEUNUTWPZHKRV-KDOFPFPSSA-N 1 2 367.424 2.935 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)c(C)o1 ZINC001088915018 985447145 /nfs/dbraw/zinc/44/71/45/985447145.db2.gz FHSGDEBNAUXNTQ-PXAZEXFGSA-N 1 2 370.428 2.949 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)c(C)o1 ZINC001088915018 985447146 /nfs/dbraw/zinc/44/71/46/985447146.db2.gz FHSGDEBNAUXNTQ-PXAZEXFGSA-N 1 2 370.428 2.949 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000669739386 985578445 /nfs/dbraw/zinc/57/84/45/985578445.db2.gz KYMIZYUCUIWFTQ-KRWDZBQOSA-N 1 2 352.438 2.804 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnoc2C2CC2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088953361 985594658 /nfs/dbraw/zinc/59/46/58/985594658.db2.gz PBDFNTCPRFEMNN-KUHUBIRLSA-N 1 2 367.424 2.935 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnoc2C2CC2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088953361 985594664 /nfs/dbraw/zinc/59/46/64/985594664.db2.gz PBDFNTCPRFEMNN-KUHUBIRLSA-N 1 2 367.424 2.935 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001032530488 985663323 /nfs/dbraw/zinc/66/33/23/985663323.db2.gz OJKHUBDLHJGNCE-LEAZDLGRSA-N 1 2 365.477 2.788 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001032530488 985663334 /nfs/dbraw/zinc/66/33/34/985663334.db2.gz OJKHUBDLHJGNCE-LEAZDLGRSA-N 1 2 365.477 2.788 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](Cc2nc(C)oc2C)[C@@H]1C ZINC001088969064 985678397 /nfs/dbraw/zinc/67/83/97/985678397.db2.gz FOKUOQRRDKYDKB-CJNGLKHVSA-N 1 2 370.453 2.644 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)oc2C)[C@@H]1C ZINC001088969064 985678403 /nfs/dbraw/zinc/67/84/03/985678403.db2.gz FOKUOQRRDKYDKB-CJNGLKHVSA-N 1 2 370.453 2.644 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cn2)[C@@H]1C ZINC001088970305 985682548 /nfs/dbraw/zinc/68/25/48/985682548.db2.gz SBSJHMSMUCOXNG-PBHICJAKSA-N 1 2 370.428 2.573 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cn2)[C@@H]1C ZINC001088970305 985682552 /nfs/dbraw/zinc/68/25/52/985682552.db2.gz SBSJHMSMUCOXNG-PBHICJAKSA-N 1 2 370.428 2.573 20 30 FFEDLO CC(C)n1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)cn1 ZINC001088974827 985706613 /nfs/dbraw/zinc/70/66/13/985706613.db2.gz OKVUEKKZNJQRDX-KUHUBIRLSA-N 1 2 369.444 2.868 20 30 FFEDLO CC(C)n1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)cn1 ZINC001088974827 985706623 /nfs/dbraw/zinc/70/66/23/985706623.db2.gz OKVUEKKZNJQRDX-KUHUBIRLSA-N 1 2 369.444 2.868 20 30 FFEDLO Cc1cc(C(N)=[NH+]OCC(=O)N[C@@H]2CCCc3ccccc32)ccc1F ZINC000063457794 985835005 /nfs/dbraw/zinc/83/50/05/985835005.db2.gz DCHJIXSQDSNLOD-GOSISDBHSA-N 1 2 355.413 2.965 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C(C)(C)CC(F)F ZINC001212397005 986052626 /nfs/dbraw/zinc/05/26/26/986052626.db2.gz APURMTFJWYBOII-HZPDHXFCSA-N 1 2 365.424 2.555 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C(C)(C)CC(F)F ZINC001212397005 986052642 /nfs/dbraw/zinc/05/26/42/986052642.db2.gz APURMTFJWYBOII-HZPDHXFCSA-N 1 2 365.424 2.555 20 30 FFEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001108002065 986770772 /nfs/dbraw/zinc/77/07/72/986770772.db2.gz UUTSOMYURJNUIF-DYXWJJEUSA-N 1 2 358.482 2.547 20 30 FFEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001108002065 986770785 /nfs/dbraw/zinc/77/07/85/986770785.db2.gz UUTSOMYURJNUIF-DYXWJJEUSA-N 1 2 358.482 2.547 20 30 FFEDLO COc1ccc(CO[NH+]=C(N)c2cccc(Cn3nc(C)cc3C)c2)cn1 ZINC000152243210 987098073 /nfs/dbraw/zinc/09/80/73/987098073.db2.gz AEWRDIGXJGHQDP-UHFFFAOYSA-N 1 2 365.437 2.789 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001061007544 987202028 /nfs/dbraw/zinc/20/20/28/987202028.db2.gz DXLAVYFYIWKATE-NXHRZFHOSA-N 1 2 370.497 2.904 20 30 FFEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000914248524 987397936 /nfs/dbraw/zinc/39/79/36/987397936.db2.gz SZVPTBFWTXLOEL-KUHUBIRLSA-N 1 2 372.494 2.785 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001486765144 987403479 /nfs/dbraw/zinc/40/34/79/987403479.db2.gz GRRZCIFAMDQVMH-STXHMFSFSA-N 1 2 360.502 2.716 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001486765144 987403480 /nfs/dbraw/zinc/40/34/80/987403480.db2.gz GRRZCIFAMDQVMH-STXHMFSFSA-N 1 2 360.502 2.716 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](Cc2cccc3cccnc32)C1 ZINC001031088080 987606796 /nfs/dbraw/zinc/60/67/96/987606796.db2.gz JSNLMCHHNBZKEI-ICSRJNTNSA-N 1 2 351.450 2.516 20 30 FFEDLO CCC(CC)[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212493570 987747334 /nfs/dbraw/zinc/74/73/34/987747334.db2.gz CPMLYQFHPHCMGV-CDHQVMDDSA-N 1 2 357.498 2.946 20 30 FFEDLO CCC(CC)[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212493570 987747336 /nfs/dbraw/zinc/74/73/36/987747336.db2.gz CPMLYQFHPHCMGV-CDHQVMDDSA-N 1 2 357.498 2.946 20 30 FFEDLO C[C@@H](CCNc1nc(Cl)c(C#N)s1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001106625321 988537505 /nfs/dbraw/zinc/53/75/05/988537505.db2.gz JAJSXUXDXIBFFT-IVZWLZJFSA-N 1 2 364.862 2.502 20 30 FFEDLO C[C@@H](CCNc1nc(Cl)c(C#N)s1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001106625321 988537512 /nfs/dbraw/zinc/53/75/12/988537512.db2.gz JAJSXUXDXIBFFT-IVZWLZJFSA-N 1 2 364.862 2.502 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001033086401 988758846 /nfs/dbraw/zinc/75/88/46/988758846.db2.gz ICABKEMGTUVJFT-JZXOWHBKSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001033086401 988758854 /nfs/dbraw/zinc/75/88/54/988758854.db2.gz ICABKEMGTUVJFT-JZXOWHBKSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033087188 988768285 /nfs/dbraw/zinc/76/82/85/988768285.db2.gz SEPBLYPRDPZAFP-AQNXPRMDSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033087188 988768290 /nfs/dbraw/zinc/76/82/90/988768290.db2.gz SEPBLYPRDPZAFP-AQNXPRMDSA-N 1 2 371.456 2.711 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)c1 ZINC001007976884 1015438063 /nfs/dbraw/zinc/43/80/63/1015438063.db2.gz OXXQVPNFVVNMFX-TXJVSEOTSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)c1 ZINC001007976884 1015438067 /nfs/dbraw/zinc/43/80/67/1015438067.db2.gz OXXQVPNFVVNMFX-TXJVSEOTSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@H]1C[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)Cc3cccnc3N2C1 ZINC000879272345 1015453184 /nfs/dbraw/zinc/45/31/84/1015453184.db2.gz MXBQWLWBXAKULO-ROUUACIJSA-N 1 2 352.413 2.702 20 30 FFEDLO CO[C@H]1C[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)Cc3cccnc3N2C1 ZINC000879272345 1015453187 /nfs/dbraw/zinc/45/31/87/1015453187.db2.gz MXBQWLWBXAKULO-ROUUACIJSA-N 1 2 352.413 2.702 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC001060629395 989512073 /nfs/dbraw/zinc/51/20/73/989512073.db2.gz OERSOYOJACPFSD-AKSNENBUSA-N 1 2 358.486 2.996 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001033497119 989626609 /nfs/dbraw/zinc/62/66/09/989626609.db2.gz JQFOFEKJBQDQKR-VCBZYWHSSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001033497119 989626618 /nfs/dbraw/zinc/62/66/18/989626618.db2.gz JQFOFEKJBQDQKR-VCBZYWHSSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001033498388 989629129 /nfs/dbraw/zinc/62/91/29/989629129.db2.gz XWPUXNDKFZWNLY-BXWFABGCSA-N 1 2 359.470 2.566 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001033498388 989629135 /nfs/dbraw/zinc/62/91/35/989629135.db2.gz XWPUXNDKFZWNLY-BXWFABGCSA-N 1 2 359.470 2.566 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC001005405822 989761356 /nfs/dbraw/zinc/76/13/56/989761356.db2.gz HSIPVIBPHGGONX-MSOLQXFVSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001061760718 990122822 /nfs/dbraw/zinc/12/28/22/990122822.db2.gz URVMBPNVUDTLSX-AYBZRNKSSA-N 1 2 370.497 2.586 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC(C)(C)C1CC1 ZINC001212225992 990158896 /nfs/dbraw/zinc/15/88/96/990158896.db2.gz VBQXRUZIBRNTJO-RTBURBONSA-N 1 2 355.482 2.700 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC(C)(C)C1CC1 ZINC001212225992 990158898 /nfs/dbraw/zinc/15/88/98/990158898.db2.gz VBQXRUZIBRNTJO-RTBURBONSA-N 1 2 355.482 2.700 20 30 FFEDLO C[C@H](Nc1ccc(C#N)nc1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001061889631 990514216 /nfs/dbraw/zinc/51/42/16/990514216.db2.gz JTQJGDYZGMZYCZ-MORSLUCNSA-N 1 2 364.453 2.519 20 30 FFEDLO C[C@H](Nc1ccc(C#N)nc1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001061889631 990514223 /nfs/dbraw/zinc/51/42/23/990514223.db2.gz JTQJGDYZGMZYCZ-MORSLUCNSA-N 1 2 364.453 2.519 20 30 FFEDLO C[NH+](C)Cc1csc(CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000922923128 990741654 /nfs/dbraw/zinc/74/16/54/990741654.db2.gz ADUHUWKFAZMVTL-KRWDZBQOSA-N 1 2 369.494 2.953 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3Cc4cccnc4N4CCC[C@H]4C3)o2)cc1 ZINC000879690527 1015642233 /nfs/dbraw/zinc/64/22/33/1015642233.db2.gz XSNDWULCETXXDQ-SFHVURJKSA-N 1 2 372.432 2.988 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3Cc4cccnc4N4CCC[C@H]4C3)o2)cc1 ZINC000879690527 1015642239 /nfs/dbraw/zinc/64/22/39/1015642239.db2.gz XSNDWULCETXXDQ-SFHVURJKSA-N 1 2 372.432 2.988 20 30 FFEDLO N#Cc1cccnc1NCC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001063853179 991557269 /nfs/dbraw/zinc/55/72/69/991557269.db2.gz NETMHMUCVIUBNU-BRWVUGGUSA-N 1 2 364.453 2.663 20 30 FFEDLO N#Cc1cccnc1NCC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001063853179 991557276 /nfs/dbraw/zinc/55/72/76/991557276.db2.gz NETMHMUCVIUBNU-BRWVUGGUSA-N 1 2 364.453 2.663 20 30 FFEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2)C1 ZINC001079147103 991804719 /nfs/dbraw/zinc/80/47/19/991804719.db2.gz XYTFBQFKYMKGSJ-WOJBJXKFSA-N 1 2 368.864 2.661 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2)C1 ZINC001079147103 991804722 /nfs/dbraw/zinc/80/47/22/991804722.db2.gz XYTFBQFKYMKGSJ-WOJBJXKFSA-N 1 2 368.864 2.661 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccoc2CC)C1 ZINC001079134678 991823071 /nfs/dbraw/zinc/82/30/71/991823071.db2.gz LTDBEGIHPXQVPS-WOJBJXKFSA-N 1 2 366.461 2.553 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccoc2CC)C1 ZINC001079134678 991823075 /nfs/dbraw/zinc/82/30/75/991823075.db2.gz LTDBEGIHPXQVPS-WOJBJXKFSA-N 1 2 366.461 2.553 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@H]2C)CC1 ZINC000939922025 991880863 /nfs/dbraw/zinc/88/08/63/991880863.db2.gz QMEFWOCZBXUNRE-JFIYKMOQSA-N 1 2 358.486 2.544 20 30 FFEDLO NC(=NOCc1cccc(F)c1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181838391 991891466 /nfs/dbraw/zinc/89/14/66/991891466.db2.gz ZBYRCDKKAXVSCZ-KRWDZBQOSA-N 1 2 361.392 2.655 20 30 FFEDLO NC(=NOCc1cccc(F)c1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181838391 991891475 /nfs/dbraw/zinc/89/14/75/991891475.db2.gz ZBYRCDKKAXVSCZ-KRWDZBQOSA-N 1 2 361.392 2.655 20 30 FFEDLO NC(=NOCc1cccc(F)c1F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181838413 991892102 /nfs/dbraw/zinc/89/21/02/991892102.db2.gz ZBYRCDKKAXVSCZ-QGZVFWFLSA-N 1 2 361.392 2.655 20 30 FFEDLO NC(=NOCc1cccc(F)c1F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181838413 991892106 /nfs/dbraw/zinc/89/21/06/991892106.db2.gz ZBYRCDKKAXVSCZ-QGZVFWFLSA-N 1 2 361.392 2.655 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C[C@@H]1CCCCO1 ZINC001079561641 992191985 /nfs/dbraw/zinc/19/19/85/992191985.db2.gz LWMFIGQTGXWBKM-MDASCCDHSA-N 1 2 359.445 2.593 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C[C@@H]1CCCCO1 ZINC001079561641 992191990 /nfs/dbraw/zinc/19/19/90/992191990.db2.gz LWMFIGQTGXWBKM-MDASCCDHSA-N 1 2 359.445 2.593 20 30 FFEDLO CCC(CC)n1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001079588889 992230986 /nfs/dbraw/zinc/23/09/86/992230986.db2.gz OJDSHYNVZZWTTQ-AUUYWEPGSA-N 1 2 368.485 2.694 20 30 FFEDLO CCC(CC)n1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001079588889 992230997 /nfs/dbraw/zinc/23/09/97/992230997.db2.gz OJDSHYNVZZWTTQ-AUUYWEPGSA-N 1 2 368.485 2.694 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]2C)co1 ZINC001079617337 992265412 /nfs/dbraw/zinc/26/54/12/992265412.db2.gz XGUMKEOXMGIORR-CXAGYDPISA-N 1 2 357.841 2.738 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]2C)co1 ZINC001079617337 992265424 /nfs/dbraw/zinc/26/54/24/992265424.db2.gz XGUMKEOXMGIORR-CXAGYDPISA-N 1 2 357.841 2.738 20 30 FFEDLO CCN1C[C@H](C[N@H+](C)CC(=O)NC2(C#N)CCCCC2)Oc2ccccc21 ZINC000198589728 992401853 /nfs/dbraw/zinc/40/18/53/992401853.db2.gz VKOMGQGDRUBDIC-KRWDZBQOSA-N 1 2 370.497 2.548 20 30 FFEDLO CCN1C[C@H](C[N@@H+](C)CC(=O)NC2(C#N)CCCCC2)Oc2ccccc21 ZINC000198589728 992401859 /nfs/dbraw/zinc/40/18/59/992401859.db2.gz VKOMGQGDRUBDIC-KRWDZBQOSA-N 1 2 370.497 2.548 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001079892444 992560335 /nfs/dbraw/zinc/56/03/35/992560335.db2.gz BACYBRVJKLEQTF-QMTHXVAHSA-N 1 2 371.250 2.793 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001079892444 992560346 /nfs/dbraw/zinc/56/03/46/992560346.db2.gz BACYBRVJKLEQTF-QMTHXVAHSA-N 1 2 371.250 2.793 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)n(C)n2)C[C@H]1C ZINC001079977797 992638390 /nfs/dbraw/zinc/63/83/90/992638390.db2.gz KBPKCFYMLHOGHN-DNVCBOLYSA-N 1 2 368.481 2.544 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)n(C)n2)C[C@H]1C ZINC001079977797 992638395 /nfs/dbraw/zinc/63/83/95/992638395.db2.gz KBPKCFYMLHOGHN-DNVCBOLYSA-N 1 2 368.481 2.544 20 30 FFEDLO CCCc1n[nH]cc1C(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001080016126 992653521 /nfs/dbraw/zinc/65/35/21/992653521.db2.gz OGHPQQPBNFHNKQ-BFUOFWGJSA-N 1 2 369.444 2.623 20 30 FFEDLO CCCc1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001080016126 992653525 /nfs/dbraw/zinc/65/35/25/992653525.db2.gz OGHPQQPBNFHNKQ-BFUOFWGJSA-N 1 2 369.444 2.623 20 30 FFEDLO COCc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)o1 ZINC001080087248 992692600 /nfs/dbraw/zinc/69/26/00/992692600.db2.gz SBILROBXQVXNHJ-FZKQIMNGSA-N 1 2 371.412 2.687 20 30 FFEDLO COCc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)o1 ZINC001080087248 992692603 /nfs/dbraw/zinc/69/26/03/992692603.db2.gz SBILROBXQVXNHJ-FZKQIMNGSA-N 1 2 371.412 2.687 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008847007 1015729929 /nfs/dbraw/zinc/72/99/29/1015729929.db2.gz PTLNFIHJQIHMTI-BJLQDIEVSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008847007 1015729935 /nfs/dbraw/zinc/72/99/35/1015729935.db2.gz PTLNFIHJQIHMTI-BJLQDIEVSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2nc3ccccc3o2)C1 ZINC001032040900 992740833 /nfs/dbraw/zinc/74/08/33/992740833.db2.gz ZMKMWTXTIFEAJJ-JXFKEZNVSA-N 1 2 369.465 2.747 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1nc2c(s1)CCC2 ZINC001080131727 992767291 /nfs/dbraw/zinc/76/72/91/992767291.db2.gz ZBHVXIPKYIJRNI-CRAIPNDOSA-N 1 2 365.502 2.734 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1nc2c(s1)CCC2 ZINC001080131727 992767299 /nfs/dbraw/zinc/76/72/99/992767299.db2.gz ZBHVXIPKYIJRNI-CRAIPNDOSA-N 1 2 365.502 2.734 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@@H](N(CC)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000942846899 992805259 /nfs/dbraw/zinc/80/52/59/992805259.db2.gz NARSVKDHSRRAEL-KZNAEPCWSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@@H](N(CC)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000942846899 992805268 /nfs/dbraw/zinc/80/52/68/992805268.db2.gz NARSVKDHSRRAEL-KZNAEPCWSA-N 1 2 370.497 2.709 20 30 FFEDLO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880081564 1015751126 /nfs/dbraw/zinc/75/11/26/1015751126.db2.gz SMDNWGDPATYJCS-QGZVFWFLSA-N 1 2 366.377 2.924 20 30 FFEDLO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880081564 1015751131 /nfs/dbraw/zinc/75/11/31/1015751131.db2.gz SMDNWGDPATYJCS-QGZVFWFLSA-N 1 2 366.377 2.924 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)c1ccc(Cl)[nH]1 ZINC001080401172 993031101 /nfs/dbraw/zinc/03/11/01/993031101.db2.gz PMULPQQMKXJINZ-BDJLRTHQSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)c1ccc(Cl)[nH]1 ZINC001080401172 993031107 /nfs/dbraw/zinc/03/11/07/993031107.db2.gz PMULPQQMKXJINZ-BDJLRTHQSA-N 1 2 360.820 2.929 20 30 FFEDLO CCc1c(C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)ccn1C ZINC001080445254 993065022 /nfs/dbraw/zinc/06/50/22/993065022.db2.gz PQVVXWYQDMJKKB-AUUYWEPGSA-N 1 2 368.456 2.849 20 30 FFEDLO CCc1c(C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)ccn1C ZINC001080445254 993065025 /nfs/dbraw/zinc/06/50/25/993065025.db2.gz PQVVXWYQDMJKKB-AUUYWEPGSA-N 1 2 368.456 2.849 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)c(C)o1 ZINC001080664203 993257423 /nfs/dbraw/zinc/25/74/23/993257423.db2.gz MACOEYLBJHHFMV-PIGZYNQJSA-N 1 2 356.401 2.553 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)c(C)o1 ZINC001080664203 993257426 /nfs/dbraw/zinc/25/74/26/993257426.db2.gz MACOEYLBJHHFMV-PIGZYNQJSA-N 1 2 356.401 2.553 20 30 FFEDLO CCCc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)no1 ZINC001080703915 993294385 /nfs/dbraw/zinc/29/43/85/993294385.db2.gz YQKAUGFQEXBTON-AUUYWEPGSA-N 1 2 352.438 2.749 20 30 FFEDLO CCCc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)no1 ZINC001080703915 993294389 /nfs/dbraw/zinc/29/43/89/993294389.db2.gz YQKAUGFQEXBTON-AUUYWEPGSA-N 1 2 352.438 2.749 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cnoc1C1CC1 ZINC001080707595 993299492 /nfs/dbraw/zinc/29/94/92/993299492.db2.gz OQPXABUGKRVHOS-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cnoc1C1CC1 ZINC001080707595 993299499 /nfs/dbraw/zinc/29/94/99/993299499.db2.gz OQPXABUGKRVHOS-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO N#CCN[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1c1ccccc1 ZINC001081153770 993704183 /nfs/dbraw/zinc/70/41/83/993704183.db2.gz CJSMXDFCMZSKIM-LEWJYISDSA-N 1 2 371.444 2.594 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C=C1CCCCC1 ZINC001081418071 993827071 /nfs/dbraw/zinc/82/70/71/993827071.db2.gz GCCABJRRMFMASD-WOJBJXKFSA-N 1 2 353.466 2.764 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C=C1CCCCC1 ZINC001081418071 993827077 /nfs/dbraw/zinc/82/70/77/993827077.db2.gz GCCABJRRMFMASD-WOJBJXKFSA-N 1 2 353.466 2.764 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1C(C)(C)C1(C)C ZINC001081495670 993853211 /nfs/dbraw/zinc/85/32/11/993853211.db2.gz WRANCHDIUZUNJD-IAGOWNOFSA-N 1 2 355.482 2.556 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1C(C)(C)C1(C)C ZINC001081495670 993853221 /nfs/dbraw/zinc/85/32/21/993853221.db2.gz WRANCHDIUZUNJD-IAGOWNOFSA-N 1 2 355.482 2.556 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1C(C)(C)C1(C)C ZINC001081495433 993853322 /nfs/dbraw/zinc/85/33/22/993853322.db2.gz JVTKBCUGGMHLRP-QZTJIDSGSA-N 1 2 354.494 2.536 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1C(C)(C)C1(C)C ZINC001081495433 993853327 /nfs/dbraw/zinc/85/33/27/993853327.db2.gz JVTKBCUGGMHLRP-QZTJIDSGSA-N 1 2 354.494 2.536 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@]1(C)CC=CCC1 ZINC001081730094 993939742 /nfs/dbraw/zinc/93/97/42/993939742.db2.gz GDKKRMDECSHQFM-LMMKCTJWSA-N 1 2 359.495 2.682 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@]1(C)CC=CCC1 ZINC001081730094 993939752 /nfs/dbraw/zinc/93/97/52/993939752.db2.gz GDKKRMDECSHQFM-LMMKCTJWSA-N 1 2 359.495 2.682 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC1CC(C)(C)C1 ZINC001082056727 994136172 /nfs/dbraw/zinc/13/61/72/994136172.db2.gz ZPAUZPJDOVPVIX-WOJBJXKFSA-N 1 2 354.494 2.680 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC1CC(C)(C)C1 ZINC001082056727 994136178 /nfs/dbraw/zinc/13/61/78/994136178.db2.gz ZPAUZPJDOVPVIX-WOJBJXKFSA-N 1 2 354.494 2.680 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1(F)CCCCC1 ZINC001082299463 994344275 /nfs/dbraw/zinc/34/42/75/994344275.db2.gz ZINAPYNRCSTKPD-HZPDHXFCSA-N 1 2 365.474 2.608 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1(F)CCCCC1 ZINC001082299463 994344281 /nfs/dbraw/zinc/34/42/81/994344281.db2.gz ZINAPYNRCSTKPD-HZPDHXFCSA-N 1 2 365.474 2.608 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C1CCC=CCC1 ZINC001082374453 994478967 /nfs/dbraw/zinc/47/89/67/994478967.db2.gz CSNDQXIHQJDHPF-WOJBJXKFSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C1CCC=CCC1 ZINC001082374453 994478973 /nfs/dbraw/zinc/47/89/73/994478973.db2.gz CSNDQXIHQJDHPF-WOJBJXKFSA-N 1 2 371.456 2.759 20 30 FFEDLO Cc1cccc(CNC(=O)[C@H](C#N)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)c1 ZINC000810709031 994895308 /nfs/dbraw/zinc/89/53/08/994895308.db2.gz OARJANUAQDPCJW-OXQOHEQNSA-N 1 2 359.445 2.533 20 30 FFEDLO Cc1cccc(CNC(=O)[C@H](C#N)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)c1 ZINC000810709031 994895318 /nfs/dbraw/zinc/89/53/18/994895318.db2.gz OARJANUAQDPCJW-OXQOHEQNSA-N 1 2 359.445 2.533 20 30 FFEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001054042391 1015930228 /nfs/dbraw/zinc/93/02/28/1015930228.db2.gz XOBISPQDPBQWHE-ACRUOGEOSA-N 1 2 354.494 2.614 20 30 FFEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001054042391 1015930238 /nfs/dbraw/zinc/93/02/38/1015930238.db2.gz XOBISPQDPBQWHE-ACRUOGEOSA-N 1 2 354.494 2.614 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nocc1C ZINC001098009814 1015932562 /nfs/dbraw/zinc/93/25/62/1015932562.db2.gz SPOUMFGBSCFEOK-LHHMMCJZSA-N 1 2 359.470 2.576 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nocc1C ZINC001098009814 1015932569 /nfs/dbraw/zinc/93/25/69/1015932569.db2.gz SPOUMFGBSCFEOK-LHHMMCJZSA-N 1 2 359.470 2.576 20 30 FFEDLO C/C=C(/C)C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001083043886 996042445 /nfs/dbraw/zinc/04/24/45/996042445.db2.gz QTDNIJFMPOKPGR-PZXAFMGGSA-N 1 2 358.869 2.569 20 30 FFEDLO C/C=C(/C)C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001083043886 996042449 /nfs/dbraw/zinc/04/24/49/996042449.db2.gz QTDNIJFMPOKPGR-PZXAFMGGSA-N 1 2 358.869 2.569 20 30 FFEDLO C=CCn1cccc1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC001083106349 996088934 /nfs/dbraw/zinc/08/89/34/996088934.db2.gz XEHRCGMSOHQHMK-VQTJNVASSA-N 1 2 369.440 2.539 20 30 FFEDLO C=CCn1cccc1C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC001083106349 996088939 /nfs/dbraw/zinc/08/89/39/996088939.db2.gz XEHRCGMSOHQHMK-VQTJNVASSA-N 1 2 369.440 2.539 20 30 FFEDLO C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4cccc(F)c4)C[C@@H]32)cc1 ZINC001083160064 996128588 /nfs/dbraw/zinc/12/85/88/996128588.db2.gz HNJLFIGGYGFWEQ-LEWJYISDSA-N 1 2 364.420 2.532 20 30 FFEDLO C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](Cc4cccc(F)c4)C[C@@H]32)cc1 ZINC001083160064 996128592 /nfs/dbraw/zinc/12/85/92/996128592.db2.gz HNJLFIGGYGFWEQ-LEWJYISDSA-N 1 2 364.420 2.532 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001056049167 1016022481 /nfs/dbraw/zinc/02/24/81/1016022481.db2.gz PHOLYULMAAMXKI-WMZOPIPTSA-N 1 2 358.486 2.538 20 30 FFEDLO Cc1nc(C)c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)o1 ZINC001084252289 996358009 /nfs/dbraw/zinc/35/80/09/996358009.db2.gz RHZXLKQZQCFKNP-SJLPKXTDSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1nc(C)c(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)o1 ZINC001084252289 996358015 /nfs/dbraw/zinc/35/80/15/996358015.db2.gz RHZXLKQZQCFKNP-SJLPKXTDSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1ncc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)s1 ZINC001084224981 996373403 /nfs/dbraw/zinc/37/34/03/996373403.db2.gz UXIPQJKNDCEGDI-NVXWUHKLSA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1ncc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)s1 ZINC001084224981 996373409 /nfs/dbraw/zinc/37/34/09/996373409.db2.gz UXIPQJKNDCEGDI-NVXWUHKLSA-N 1 2 370.453 2.809 20 30 FFEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(-c4ccccc4)on3)C[C@H]21 ZINC001084232930 996382057 /nfs/dbraw/zinc/38/20/57/996382057.db2.gz NCIHXRAMKSZIRM-QGPMSJSTSA-N 1 2 350.422 2.534 20 30 FFEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)on3)C[C@H]21 ZINC001084232930 996382062 /nfs/dbraw/zinc/38/20/62/996382062.db2.gz NCIHXRAMKSZIRM-QGPMSJSTSA-N 1 2 350.422 2.534 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccncc3)[C@@H]2C1 ZINC001084354829 996481502 /nfs/dbraw/zinc/48/15/02/996481502.db2.gz XCEHIVUVSINUOJ-CIAFKFPVSA-N 1 2 372.472 2.790 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccncc3)[C@@H]2C1 ZINC001084354829 996481505 /nfs/dbraw/zinc/48/15/05/996481505.db2.gz XCEHIVUVSINUOJ-CIAFKFPVSA-N 1 2 372.472 2.790 20 30 FFEDLO Cc1cc(C)nc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)c1 ZINC001084472557 996583371 /nfs/dbraw/zinc/58/33/71/996583371.db2.gz NUUPFNHZLDHKBQ-DNVCBOLYSA-N 1 2 366.490 2.978 20 30 FFEDLO Cc1cc(C)nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)c1 ZINC001084472557 996583373 /nfs/dbraw/zinc/58/33/73/996583373.db2.gz NUUPFNHZLDHKBQ-DNVCBOLYSA-N 1 2 366.490 2.978 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3Cc4cc(Cl)ccc4O3)[C@@H]2C1 ZINC001084497286 996621363 /nfs/dbraw/zinc/62/13/63/996621363.db2.gz JIKLXOZVGPZLEH-VMGRFDJRSA-N 1 2 367.276 2.929 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3Cc4cc(Cl)ccc4O3)[C@@H]2C1 ZINC001084497286 996621366 /nfs/dbraw/zinc/62/13/66/996621366.db2.gz JIKLXOZVGPZLEH-VMGRFDJRSA-N 1 2 367.276 2.929 20 30 FFEDLO CO[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21)C1CCC1 ZINC001084552553 996671034 /nfs/dbraw/zinc/67/10/34/996671034.db2.gz HCXXAAUIXAMHJX-AHRSYUTCSA-N 1 2 371.456 2.545 20 30 FFEDLO CO[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21)C1CCC1 ZINC001084552553 996671036 /nfs/dbraw/zinc/67/10/36/996671036.db2.gz HCXXAAUIXAMHJX-AHRSYUTCSA-N 1 2 371.456 2.545 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4ccccc4[nH]c3=O)[C@@H]2C1 ZINC001084562573 996691333 /nfs/dbraw/zinc/69/13/33/996691333.db2.gz ZDZUOJPDBQNCFF-RHSMWYFYSA-N 1 2 357.841 2.839 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4ccccc4[nH]c3=O)[C@@H]2C1 ZINC001084562573 996691336 /nfs/dbraw/zinc/69/13/36/996691336.db2.gz ZDZUOJPDBQNCFF-RHSMWYFYSA-N 1 2 357.841 2.839 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)cs1 ZINC001084605479 996706831 /nfs/dbraw/zinc/70/68/31/996706831.db2.gz RMCQGYUAAUDTDP-RDTXWAMCSA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)cs1 ZINC001084605479 996706834 /nfs/dbraw/zinc/70/68/34/996706834.db2.gz RMCQGYUAAUDTDP-RDTXWAMCSA-N 1 2 370.453 2.809 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4n[nH]cc4c3)[C@@H]2C1 ZINC001084616527 996729662 /nfs/dbraw/zinc/72/96/62/996729662.db2.gz PBLBCVPCQLCCBG-WIYYLYMNSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4n[nH]cc4c3)[C@@H]2C1 ZINC001084616527 996729665 /nfs/dbraw/zinc/72/96/65/996729665.db2.gz PBLBCVPCQLCCBG-WIYYLYMNSA-N 1 2 371.444 2.781 20 30 FFEDLO Cc1ncccc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084618808 996733732 /nfs/dbraw/zinc/73/37/32/996733732.db2.gz HSJKIJRODJDHEH-WIYYLYMNSA-N 1 2 363.436 2.727 20 30 FFEDLO Cc1ncccc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084618808 996733734 /nfs/dbraw/zinc/73/37/34/996733734.db2.gz HSJKIJRODJDHEH-WIYYLYMNSA-N 1 2 363.436 2.727 20 30 FFEDLO O=C(c1ocnc1C1CC1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084660231 996777412 /nfs/dbraw/zinc/77/74/12/996777412.db2.gz WTEDGHXZRLSQOT-RTBURBONSA-N 1 2 361.445 2.750 20 30 FFEDLO O=C(c1ocnc1C1CC1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084660231 996777415 /nfs/dbraw/zinc/77/74/15/996777415.db2.gz WTEDGHXZRLSQOT-RTBURBONSA-N 1 2 361.445 2.750 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccccc2OCc2ccncc2)CC1 ZINC000824867442 997114312 /nfs/dbraw/zinc/11/43/12/997114312.db2.gz OUTVDPRHUMNCGY-UHFFFAOYSA-N 1 2 365.433 2.939 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001056405753 1016133310 /nfs/dbraw/zinc/13/33/10/1016133310.db2.gz PMLGHHCIRUYAGC-XYVMCAHJSA-N 1 2 370.497 2.707 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001056405753 1016133313 /nfs/dbraw/zinc/13/33/13/1016133313.db2.gz PMLGHHCIRUYAGC-XYVMCAHJSA-N 1 2 370.497 2.707 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001056423722 1016137904 /nfs/dbraw/zinc/13/79/04/1016137904.db2.gz RRFKOQNHQBXGGR-LMSBXDPUSA-N 1 2 370.497 2.707 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001056423722 1016137906 /nfs/dbraw/zinc/13/79/06/1016137906.db2.gz RRFKOQNHQBXGGR-LMSBXDPUSA-N 1 2 370.497 2.707 20 30 FFEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC(NC(=O)C2CCOCC2)CC1 ZINC001143726507 997604533 /nfs/dbraw/zinc/60/45/33/997604533.db2.gz SGSZMSVDHHNGDC-UHFFFAOYSA-N 1 2 361.873 2.719 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c(C)nn(C)c3C)[C@@H]2C1 ZINC001084840137 997616491 /nfs/dbraw/zinc/61/64/91/997616491.db2.gz POPRVMGJDVXCNK-BJOOFOGMSA-N 1 2 364.921 2.501 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c(C)nn(C)c3C)[C@@H]2C1 ZINC001084840137 997616495 /nfs/dbraw/zinc/61/64/95/997616495.db2.gz POPRVMGJDVXCNK-BJOOFOGMSA-N 1 2 364.921 2.501 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](OC)c3ccc(F)cc3)[C@@H]2C1 ZINC001084862268 997694320 /nfs/dbraw/zinc/69/43/20/997694320.db2.gz BUXJCRWOJWDXFH-OIISXLGYSA-N 1 2 352.837 2.798 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](OC)c3ccc(F)cc3)[C@@H]2C1 ZINC001084862268 997694325 /nfs/dbraw/zinc/69/43/25/997694325.db2.gz BUXJCRWOJWDXFH-OIISXLGYSA-N 1 2 352.837 2.798 20 30 FFEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844323498 997810171 /nfs/dbraw/zinc/81/01/71/997810171.db2.gz AIZUOLNGKDJGQM-ROUUACIJSA-N 1 2 374.872 2.505 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1OC ZINC001090943636 997891440 /nfs/dbraw/zinc/89/14/40/997891440.db2.gz PZEDJUCIHBZVST-HZPDHXFCSA-N 1 2 358.486 2.585 20 30 FFEDLO Cn1cnc2c1[C@@H](COCC1CCCC1)C[N@H+](Cc1cncc(C#N)c1)C2 ZINC001144076111 997993198 /nfs/dbraw/zinc/99/31/98/997993198.db2.gz ZIKDLPDNBDYERJ-LJQANCHMSA-N 1 2 365.481 2.993 20 30 FFEDLO Cn1cnc2c1[C@@H](COCC1CCCC1)C[N@@H+](Cc1cncc(C#N)c1)C2 ZINC001144076111 997993211 /nfs/dbraw/zinc/99/32/11/997993211.db2.gz ZIKDLPDNBDYERJ-LJQANCHMSA-N 1 2 365.481 2.993 20 30 FFEDLO N#Cc1cncc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)c1 ZINC001144079969 997997732 /nfs/dbraw/zinc/99/77/32/997997732.db2.gz QZOVGKTVKJCGCK-PZJWPPBQSA-N 1 2 364.449 2.798 20 30 FFEDLO N#Cc1cncc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)c1 ZINC001144079969 997997743 /nfs/dbraw/zinc/99/77/43/997997743.db2.gz QZOVGKTVKJCGCK-PZJWPPBQSA-N 1 2 364.449 2.798 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCCCOc2ccc(C#N)cc2)cc1OC ZINC000732194122 998518751 /nfs/dbraw/zinc/51/87/51/998518751.db2.gz YRSXTHSIDZJXBJ-UHFFFAOYSA-N 1 2 355.394 2.891 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3nonc3C)[C@H]2C1)c1ccccc1 ZINC001085099546 998941340 /nfs/dbraw/zinc/94/13/40/998941340.db2.gz YNMAKPAAFDBBSY-GGPKGHCWSA-N 1 2 366.465 2.771 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3nonc3C)[C@H]2C1)c1ccccc1 ZINC001085099546 998941348 /nfs/dbraw/zinc/94/13/48/998941348.db2.gz YNMAKPAAFDBBSY-GGPKGHCWSA-N 1 2 366.465 2.771 20 30 FFEDLO N#C[C@H](C(=O)C[NH+]1CCc2ccccc2CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000734835687 999345982 /nfs/dbraw/zinc/34/59/82/999345982.db2.gz FOKSHKIFTWYYGU-GOSISDBHSA-N 1 2 372.428 2.612 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085650942 999599804 /nfs/dbraw/zinc/59/98/04/999599804.db2.gz FSJWEPUHLMABOL-SUMDDJOVSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085650942 999599806 /nfs/dbraw/zinc/59/98/06/999599806.db2.gz FSJWEPUHLMABOL-SUMDDJOVSA-N 1 2 359.445 2.545 20 30 FFEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719108 999614207 /nfs/dbraw/zinc/61/42/07/999614207.db2.gz KPFRHGSOWVNSLF-YJLNNSPDSA-N 1 2 359.495 2.612 20 30 FFEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719108 999614210 /nfs/dbraw/zinc/61/42/10/999614210.db2.gz KPFRHGSOWVNSLF-YJLNNSPDSA-N 1 2 359.495 2.612 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@H]2CCCN(c3ccc(C)cc3)C2=O)cc1 ZINC000742355192 999769418 /nfs/dbraw/zinc/76/94/18/999769418.db2.gz ZOTHSIRTJHVYMW-SFHVURJKSA-N 1 2 353.422 2.836 20 30 FFEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000744153803 999845179 /nfs/dbraw/zinc/84/51/79/999845179.db2.gz IFAVITAIMZSUNA-HXUWFJFHSA-N 1 2 363.461 2.838 20 30 FFEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000744153803 999845183 /nfs/dbraw/zinc/84/51/83/999845183.db2.gz IFAVITAIMZSUNA-HXUWFJFHSA-N 1 2 363.461 2.838 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N(C)C)c(F)c1)C2 ZINC001096612781 1016359426 /nfs/dbraw/zinc/35/94/26/1016359426.db2.gz AAVHBCKBACKDDS-KMFMINBZSA-N 1 2 351.853 2.979 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N(C)C)c(F)c1)C2 ZINC001096612781 1016359440 /nfs/dbraw/zinc/35/94/40/1016359440.db2.gz AAVHBCKBACKDDS-KMFMINBZSA-N 1 2 351.853 2.979 20 30 FFEDLO CC[N@H+](Cc1ccc(OC)cc1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744387751 999855010 /nfs/dbraw/zinc/85/50/10/999855010.db2.gz XPHAWYSDMZLLQY-UHFFFAOYSA-N 1 2 362.433 2.951 20 30 FFEDLO CC[N@@H+](Cc1ccc(OC)cc1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744387751 999855013 /nfs/dbraw/zinc/85/50/13/999855013.db2.gz XPHAWYSDMZLLQY-UHFFFAOYSA-N 1 2 362.433 2.951 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC000745081080 999893799 /nfs/dbraw/zinc/89/37/99/999893799.db2.gz FQYHNJOPMHLJBK-PKOBYXMFSA-N 1 2 371.481 2.966 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC000745081080 999893801 /nfs/dbraw/zinc/89/38/01/999893801.db2.gz FQYHNJOPMHLJBK-PKOBYXMFSA-N 1 2 371.481 2.966 20 30 FFEDLO CC(C)CNC(=O)CO[NH+]=C(N)c1ccc(COc2ccccc2F)cc1 ZINC000745450465 999914673 /nfs/dbraw/zinc/91/46/73/999914673.db2.gz BNYLBMFFKDYOFL-UHFFFAOYSA-N 1 2 373.428 2.814 20 30 FFEDLO C#CC[N@@H+](CC)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000746457633 999993962 /nfs/dbraw/zinc/99/39/62/999993962.db2.gz OBMDTWJIFZWWDP-UHFFFAOYSA-N 1 2 352.413 2.999 20 30 FFEDLO C#CC[N@H+](CC)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000746457633 999993965 /nfs/dbraw/zinc/99/39/65/999993965.db2.gz OBMDTWJIFZWWDP-UHFFFAOYSA-N 1 2 352.413 2.999 20 30 FFEDLO CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001108964058 1000139477 /nfs/dbraw/zinc/13/94/77/1000139477.db2.gz PWPJYAGZRFUJHY-OAOYMFHYSA-N 1 2 360.885 2.838 20 30 FFEDLO CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001108964058 1000139479 /nfs/dbraw/zinc/13/94/79/1000139479.db2.gz PWPJYAGZRFUJHY-OAOYMFHYSA-N 1 2 360.885 2.838 20 30 FFEDLO O=C(COCC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001108977698 1000142244 /nfs/dbraw/zinc/14/22/44/1000142244.db2.gz UBIXCPUOFMZNDP-AABGKKOBSA-N 1 2 372.896 2.840 20 30 FFEDLO O=C(COCC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001108977698 1000142246 /nfs/dbraw/zinc/14/22/46/1000142246.db2.gz UBIXCPUOFMZNDP-AABGKKOBSA-N 1 2 372.896 2.840 20 30 FFEDLO CCO[C@H](CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109011737 1000150000 /nfs/dbraw/zinc/15/00/00/1000150000.db2.gz QJIAAWAMRQIDKD-XGXHKWSGSA-N 1 2 359.445 2.734 20 30 FFEDLO CCO[C@H](CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109011737 1000150002 /nfs/dbraw/zinc/15/00/02/1000150002.db2.gz QJIAAWAMRQIDKD-XGXHKWSGSA-N 1 2 359.445 2.734 20 30 FFEDLO CCCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109035818 1000156579 /nfs/dbraw/zinc/15/65/79/1000156579.db2.gz CPNSXJNMMVJMGM-LDTOTXGLSA-N 1 2 355.482 2.985 20 30 FFEDLO CCCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109035818 1000156581 /nfs/dbraw/zinc/15/65/81/1000156581.db2.gz CPNSXJNMMVJMGM-LDTOTXGLSA-N 1 2 355.482 2.985 20 30 FFEDLO CSC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109076046 1000162388 /nfs/dbraw/zinc/16/23/88/1000162388.db2.gz MRCFJOHBKZRJON-ZYUBPSHWSA-N 1 2 361.486 2.918 20 30 FFEDLO CSC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109076046 1000162389 /nfs/dbraw/zinc/16/23/89/1000162389.db2.gz MRCFJOHBKZRJON-ZYUBPSHWSA-N 1 2 361.486 2.918 20 30 FFEDLO CC[C@H](C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001109162734 1000177687 /nfs/dbraw/zinc/17/76/87/1000177687.db2.gz VFZAUDAPNIINDJ-LDTOTXGLSA-N 1 2 358.457 2.714 20 30 FFEDLO CC[C@H](C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001109162734 1000177688 /nfs/dbraw/zinc/17/76/88/1000177688.db2.gz VFZAUDAPNIINDJ-LDTOTXGLSA-N 1 2 358.457 2.714 20 30 FFEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)C)C3)cc1 ZINC001109250852 1000201631 /nfs/dbraw/zinc/20/16/31/1000201631.db2.gz VLUFKMYLNTWBSM-RNQOJCNYSA-N 1 2 367.493 2.703 20 30 FFEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)C)C3)cc1 ZINC001109250852 1000201633 /nfs/dbraw/zinc/20/16/33/1000201633.db2.gz VLUFKMYLNTWBSM-RNQOJCNYSA-N 1 2 367.493 2.703 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1sccc1Cl ZINC001109267035 1000208344 /nfs/dbraw/zinc/20/83/44/1000208344.db2.gz KMKKJXGSEFDDEY-NEBZKDRISA-N 1 2 352.887 2.661 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1sccc1Cl ZINC001109267035 1000208347 /nfs/dbraw/zinc/20/83/47/1000208347.db2.gz KMKKJXGSEFDDEY-NEBZKDRISA-N 1 2 352.887 2.661 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)c1F ZINC001109267565 1000209496 /nfs/dbraw/zinc/20/94/96/1000209496.db2.gz PXJXAAAGVAIJCA-IRWJRLHMSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)c1F ZINC001109267565 1000209498 /nfs/dbraw/zinc/20/94/98/1000209498.db2.gz PXJXAAAGVAIJCA-IRWJRLHMSA-N 1 2 364.848 2.739 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C(F)F)CC2)C3)ccc1F ZINC001109285334 1000227978 /nfs/dbraw/zinc/22/79/78/1000227978.db2.gz DTISALCXXPJYRQ-KBMXLJTQSA-N 1 2 363.383 2.964 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C(F)F)CC2)C3)ccc1F ZINC001109285334 1000227981 /nfs/dbraw/zinc/22/79/81/1000227981.db2.gz DTISALCXXPJYRQ-KBMXLJTQSA-N 1 2 363.383 2.964 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)[C@H]2C1 ZINC001091211728 1000260599 /nfs/dbraw/zinc/26/05/99/1000260599.db2.gz REFJWXMHZJFLNO-WMZOPIPTSA-N 1 2 352.482 2.893 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1 ZINC001109336942 1000285747 /nfs/dbraw/zinc/28/57/47/1000285747.db2.gz QYWUDIXKHKIGDU-QYZOEREBSA-N 1 2 369.509 2.627 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1 ZINC001109336942 1000285754 /nfs/dbraw/zinc/28/57/54/1000285754.db2.gz QYWUDIXKHKIGDU-QYZOEREBSA-N 1 2 369.509 2.627 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1cccc(C)c1 ZINC001109353028 1000298070 /nfs/dbraw/zinc/29/80/70/1000298070.db2.gz FYIBHYBTDDBVDW-AABGKKOBSA-N 1 2 369.509 2.689 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1cccc(C)c1 ZINC001109353028 1000298074 /nfs/dbraw/zinc/29/80/74/1000298074.db2.gz FYIBHYBTDDBVDW-AABGKKOBSA-N 1 2 369.509 2.689 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)[nH+]c2c1CCCC2 ZINC001091282126 1000366632 /nfs/dbraw/zinc/36/66/32/1000366632.db2.gz XSSZNHOILHIOFH-NIKGAXFTSA-N 1 2 370.497 2.541 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(OC)c(C)c1)C2 ZINC001109400730 1000385895 /nfs/dbraw/zinc/38/58/95/1000385895.db2.gz SGUSHGPEWHCOGK-PVAVHDDUSA-N 1 2 364.873 2.856 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(OC)c(C)c1)C2 ZINC001109400730 1000385904 /nfs/dbraw/zinc/38/59/04/1000385904.db2.gz SGUSHGPEWHCOGK-PVAVHDDUSA-N 1 2 364.873 2.856 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1oc(C(F)F)cc1C)C2 ZINC001109419471 1000410779 /nfs/dbraw/zinc/41/07/79/1000410779.db2.gz RDDXBLDRPPRXGB-RDBSUJKOSA-N 1 2 352.381 2.511 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1oc(C(F)F)cc1C)C2 ZINC001109419471 1000410785 /nfs/dbraw/zinc/41/07/85/1000410785.db2.gz RDDXBLDRPPRXGB-RDBSUJKOSA-N 1 2 352.381 2.511 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH2+][C@H](CCO)c1ccco1 ZINC000769223720 1000468738 /nfs/dbraw/zinc/46/87/38/1000468738.db2.gz WZZMFRRRZLQDOR-GOEBONIOSA-N 1 2 362.389 2.530 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccc3s1)C2 ZINC001109490374 1000552738 /nfs/dbraw/zinc/55/27/38/1000552738.db2.gz SLCWDJXPIUFYPQ-IKGGRYGDSA-N 1 2 354.475 2.886 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccc3s1)C2 ZINC001109490374 1000552743 /nfs/dbraw/zinc/55/27/43/1000552743.db2.gz SLCWDJXPIUFYPQ-IKGGRYGDSA-N 1 2 354.475 2.886 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000769754828 1000589345 /nfs/dbraw/zinc/58/93/45/1000589345.db2.gz ZUSMQQCIGVLNOP-PKOBYXMFSA-N 1 2 363.465 2.667 20 30 FFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1 ZINC000769961248 1000635450 /nfs/dbraw/zinc/63/54/50/1000635450.db2.gz JBNTVVGASSUCGV-HNAYVOBHSA-N 1 2 365.433 2.919 20 30 FFEDLO C#C[C@H](C)[N@H+](C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1 ZINC000769961248 1000635453 /nfs/dbraw/zinc/63/54/53/1000635453.db2.gz JBNTVVGASSUCGV-HNAYVOBHSA-N 1 2 365.433 2.919 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)[nH]c3c1CCCC3)C2 ZINC001096678823 1016431417 /nfs/dbraw/zinc/43/14/17/1016431417.db2.gz ITKZZDAYKUAPGY-DQYPLSBCSA-N 1 2 361.873 2.754 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)[nH]c3c1CCCC3)C2 ZINC001096678823 1016431426 /nfs/dbraw/zinc/43/14/26/1016431426.db2.gz ITKZZDAYKUAPGY-DQYPLSBCSA-N 1 2 361.873 2.754 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(O)cc1 ZINC001109634441 1000735561 /nfs/dbraw/zinc/73/55/61/1000735561.db2.gz MUGQVVXWXQVYSJ-FXECBMLZSA-N 1 2 371.481 2.655 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(O)cc1 ZINC001109634441 1000735564 /nfs/dbraw/zinc/73/55/64/1000735564.db2.gz MUGQVVXWXQVYSJ-FXECBMLZSA-N 1 2 371.481 2.655 20 30 FFEDLO CCC[C@H](OCC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109625904 1000738771 /nfs/dbraw/zinc/73/87/71/1000738771.db2.gz GRSKCXLBCRMFNZ-FYQPLNBISA-N 1 2 355.482 2.985 20 30 FFEDLO CCC[C@H](OCC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109625904 1000738775 /nfs/dbraw/zinc/73/87/75/1000738775.db2.gz GRSKCXLBCRMFNZ-FYQPLNBISA-N 1 2 355.482 2.985 20 30 FFEDLO C[C@]12CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]1C[N@H+](C/C(Cl)=C\Cl)C2 ZINC001091606901 1000785271 /nfs/dbraw/zinc/78/52/71/1000785271.db2.gz PKWGGBQASCYEGD-GRRIZBSOSA-N 1 2 353.253 2.599 20 30 FFEDLO C[C@]12CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]1C[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001091606901 1000785276 /nfs/dbraw/zinc/78/52/76/1000785276.db2.gz PKWGGBQASCYEGD-GRRIZBSOSA-N 1 2 353.253 2.599 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1F ZINC001109659185 1000799267 /nfs/dbraw/zinc/79/92/67/1000799267.db2.gz XESOQFSEYQMBHV-NEWSRXKRSA-N 1 2 373.472 2.520 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1F ZINC001109659185 1000799271 /nfs/dbraw/zinc/79/92/71/1000799271.db2.gz XESOQFSEYQMBHV-NEWSRXKRSA-N 1 2 373.472 2.520 20 30 FFEDLO C=C(C)CCC(=O)NC[C@H]1CC[C@@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001091609399 1000804696 /nfs/dbraw/zinc/80/46/96/1000804696.db2.gz MBDWCSAHKJIILJ-JKSUJKDBSA-N 1 2 357.502 2.518 20 30 FFEDLO C=C(C)CCC(=O)NC[C@H]1CC[C@@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001091609399 1000804704 /nfs/dbraw/zinc/80/47/04/1000804704.db2.gz MBDWCSAHKJIILJ-JKSUJKDBSA-N 1 2 357.502 2.518 20 30 FFEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)CCC)CC1 ZINC001109681988 1000836923 /nfs/dbraw/zinc/83/69/23/1000836923.db2.gz OTFKWNLMWJYZDJ-MHORFTMASA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)CCC)CC1 ZINC001109681988 1000836929 /nfs/dbraw/zinc/83/69/29/1000836929.db2.gz OTFKWNLMWJYZDJ-MHORFTMASA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@H]1CC[C@@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001091644023 1000937810 /nfs/dbraw/zinc/93/78/10/1000937810.db2.gz AHNCWAKMQAPDRJ-JKSUJKDBSA-N 1 2 371.529 2.764 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@H]1CC[C@@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001091644023 1000937816 /nfs/dbraw/zinc/93/78/16/1000937816.db2.gz AHNCWAKMQAPDRJ-JKSUJKDBSA-N 1 2 371.529 2.764 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c(C)noc1C)C2 ZINC001109815652 1001039422 /nfs/dbraw/zinc/03/94/22/1001039422.db2.gz KNUJLXPFGFOQGP-WGJNUXFISA-N 1 2 351.878 2.944 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c(C)noc1C)C2 ZINC001109815652 1001039431 /nfs/dbraw/zinc/03/94/31/1001039431.db2.gz KNUJLXPFGFOQGP-WGJNUXFISA-N 1 2 351.878 2.944 20 30 FFEDLO C=CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001091692382 1001064495 /nfs/dbraw/zinc/06/44/95/1001064495.db2.gz CVJDRTPTTHUIPO-ZBFHGGJFSA-N 1 2 360.506 2.641 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CNc1nc(C)[nH+]c2c1CCCC2)C1CC1 ZINC001109984536 1001242640 /nfs/dbraw/zinc/24/26/40/1001242640.db2.gz RJZJZBUGJWVJJT-QRQLOZEOSA-N 1 2 370.497 2.562 20 30 FFEDLO C=CCN1CC[C@@H](O[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)C1=O ZINC000786894511 1001640057 /nfs/dbraw/zinc/64/00/57/1001640057.db2.gz WSSUETQYCBOJOF-LJQANCHMSA-N 1 2 365.433 2.689 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(c2ncnc3c2C[N@H+](C)CC3)[C@@H]1CC ZINC001091818817 1001959750 /nfs/dbraw/zinc/95/97/50/1001959750.db2.gz SNERYMNJMFBCPC-ZYSHUDEJSA-N 1 2 371.529 2.540 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(c2ncnc3c2C[N@@H+](C)CC3)[C@@H]1CC ZINC001091818817 1001959757 /nfs/dbraw/zinc/95/97/57/1001959757.db2.gz SNERYMNJMFBCPC-ZYSHUDEJSA-N 1 2 371.529 2.540 20 30 FFEDLO CC(C)COCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110320967 1002019830 /nfs/dbraw/zinc/01/98/30/1002019830.db2.gz STPVKHBQQVVBLT-RLLQIKCJSA-N 1 2 373.472 2.982 20 30 FFEDLO CC(C)COCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110320967 1002019840 /nfs/dbraw/zinc/01/98/40/1002019840.db2.gz STPVKHBQQVVBLT-RLLQIKCJSA-N 1 2 373.472 2.982 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4ncnn4CCC)C[C@@]3(C)C2)CC1 ZINC001091979135 1002241496 /nfs/dbraw/zinc/24/14/96/1002241496.db2.gz RQTAZZQWNGSNJD-NQIIRXRSSA-N 1 2 371.529 2.715 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4ncnn4CCC)C[C@@]3(C)C2)CC1 ZINC001091979135 1002241500 /nfs/dbraw/zinc/24/15/00/1002241500.db2.gz RQTAZZQWNGSNJD-NQIIRXRSSA-N 1 2 371.529 2.715 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001091981600 1002244329 /nfs/dbraw/zinc/24/43/29/1002244329.db2.gz PJDFGZXKEYDGNS-ZMYBRWDISA-N 1 2 364.921 2.956 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001091981600 1002244338 /nfs/dbraw/zinc/24/43/38/1002244338.db2.gz PJDFGZXKEYDGNS-ZMYBRWDISA-N 1 2 364.921 2.956 20 30 FFEDLO Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)n1 ZINC001096821086 1016595743 /nfs/dbraw/zinc/59/57/43/1016595743.db2.gz UAPARQNOOIMQNI-NRSPTQNISA-N 1 2 363.436 2.916 20 30 FFEDLO Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)n1 ZINC001096821086 1016595749 /nfs/dbraw/zinc/59/57/49/1016595749.db2.gz UAPARQNOOIMQNI-NRSPTQNISA-N 1 2 363.436 2.916 20 30 FFEDLO C=C(C)C[C@@H]([NH2+]C1CC2(C[C@@H]2NC(=O)OC(C)(C)C)C1)C(=O)OCC ZINC001183551388 1002303820 /nfs/dbraw/zinc/30/38/20/1002303820.db2.gz QTJAZRGORWDCOQ-QXGUJMOYSA-N 1 2 352.475 2.920 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@](O)(CF)CC1 ZINC001183828575 1002400205 /nfs/dbraw/zinc/40/02/05/1002400205.db2.gz JYQUOVPBBXHPPW-PZJWPPBQSA-N 1 2 373.472 2.626 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@](O)(CF)CC1 ZINC001183828575 1002400214 /nfs/dbraw/zinc/40/02/14/1002400214.db2.gz JYQUOVPBBXHPPW-PZJWPPBQSA-N 1 2 373.472 2.626 20 30 FFEDLO COC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183829327 1002401793 /nfs/dbraw/zinc/40/17/93/1002401793.db2.gz TWRWGGSRFXHOOG-PMACEKPBSA-N 1 2 355.482 2.940 20 30 FFEDLO COC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183829327 1002401802 /nfs/dbraw/zinc/40/18/02/1002401802.db2.gz TWRWGGSRFXHOOG-PMACEKPBSA-N 1 2 355.482 2.940 20 30 FFEDLO CC(C)[C@@H]1COCCN1C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183829879 1002402297 /nfs/dbraw/zinc/40/22/97/1002402297.db2.gz AGRXZJPIRRNUAQ-UXHICEINSA-N 1 2 355.482 2.796 20 30 FFEDLO CC(C)[C@@H]1COCCN1C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183829879 1002402300 /nfs/dbraw/zinc/40/23/00/1002402300.db2.gz AGRXZJPIRRNUAQ-UXHICEINSA-N 1 2 355.482 2.796 20 30 FFEDLO CCN(CCn1cccn1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183831024 1002403283 /nfs/dbraw/zinc/40/32/83/1002403283.db2.gz KVOJRHVYQPYSHA-HXUWFJFHSA-N 1 2 365.481 2.658 20 30 FFEDLO CCN(CCn1cccn1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183831024 1002403286 /nfs/dbraw/zinc/40/32/86/1002403286.db2.gz KVOJRHVYQPYSHA-HXUWFJFHSA-N 1 2 365.481 2.658 20 30 FFEDLO CCO[C@H](CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110348000 1002544814 /nfs/dbraw/zinc/54/48/14/1002544814.db2.gz PGYCLFZQONVBKJ-OQIJWPOYSA-N 1 2 359.445 2.734 20 30 FFEDLO CCO[C@H](CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110348000 1002544826 /nfs/dbraw/zinc/54/48/26/1002544826.db2.gz PGYCLFZQONVBKJ-OQIJWPOYSA-N 1 2 359.445 2.734 20 30 FFEDLO CC[C@H](C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C#N)nc2)C1 ZINC001092313715 1002662840 /nfs/dbraw/zinc/66/28/40/1002662840.db2.gz OBSYYKOESCEUFM-BMGDILEWSA-N 1 2 366.469 2.529 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cccc(F)n2)C1 ZINC001092314783 1002664526 /nfs/dbraw/zinc/66/45/26/1002664526.db2.gz RHBJBLQFIPQDHI-HUUCEWRRSA-N 1 2 357.433 2.717 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C)nn2)C1 ZINC001092316058 1002669293 /nfs/dbraw/zinc/66/92/93/1002669293.db2.gz RAVWCQWRGZDNII-GVDBMIGSSA-N 1 2 368.485 2.527 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)c1ccccc1O ZINC001096823782 1016654749 /nfs/dbraw/zinc/65/47/49/1016654749.db2.gz PJJGLAIAKUYJHR-RLLQIKCJSA-N 1 2 364.420 2.918 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)c1ccccc1O ZINC001096823782 1016654756 /nfs/dbraw/zinc/65/47/56/1016654756.db2.gz PJJGLAIAKUYJHR-RLLQIKCJSA-N 1 2 364.420 2.918 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(F)c1)C2 ZINC001096871315 1016658775 /nfs/dbraw/zinc/65/87/75/1016658775.db2.gz DEQCEHHGZZTJHS-KURKYZTESA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(F)c1)C2 ZINC001096871315 1016658778 /nfs/dbraw/zinc/65/87/78/1016658778.db2.gz DEQCEHHGZZTJHS-KURKYZTESA-N 1 2 350.397 2.628 20 30 FFEDLO C[C@H](CC(=O)NC[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1C)n1cc[nH+]c1 ZINC001092450447 1002979889 /nfs/dbraw/zinc/97/98/89/1002979889.db2.gz HEXZTTLCRQIFAZ-BZUAXINKSA-N 1 2 369.444 2.734 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+]([C@H](C)c2csnn2)C[C@H]1C ZINC001092677314 1003406721 /nfs/dbraw/zinc/40/67/21/1003406721.db2.gz BOMZXZLWBBJSDW-RBSFLKMASA-N 1 2 359.499 2.585 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+]([C@H](C)c2csnn2)C[C@H]1C ZINC001092677314 1003406728 /nfs/dbraw/zinc/40/67/28/1003406728.db2.gz BOMZXZLWBBJSDW-RBSFLKMASA-N 1 2 359.499 2.585 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(CC)cn2)C1 ZINC001086620158 1003554266 /nfs/dbraw/zinc/55/42/66/1003554266.db2.gz ATWOFTJNKIPMBP-DLBZAZTESA-N 1 2 358.873 2.853 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(CC)cn2)C1 ZINC001086620158 1003554272 /nfs/dbraw/zinc/55/42/72/1003554272.db2.gz ATWOFTJNKIPMBP-DLBZAZTESA-N 1 2 358.873 2.853 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001092806371 1003556977 /nfs/dbraw/zinc/55/69/77/1003556977.db2.gz PPOUINZWCKPDEK-NBMRYCAZSA-N 1 2 358.486 2.555 20 30 FFEDLO CC[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@H](C)C(=O)OC(C)(C)C ZINC001196056528 1003645276 /nfs/dbraw/zinc/64/52/76/1003645276.db2.gz LCDFUYCINBGXFF-NVXWUHKLSA-N 1 2 362.470 2.544 20 30 FFEDLO CC[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@H](C)C(=O)OC(C)(C)C ZINC001196056528 1003645282 /nfs/dbraw/zinc/64/52/82/1003645282.db2.gz LCDFUYCINBGXFF-NVXWUHKLSA-N 1 2 362.470 2.544 20 30 FFEDLO Cn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)c1 ZINC001096952138 1016816363 /nfs/dbraw/zinc/81/63/63/1016816363.db2.gz YEHQNXAYUJKTCI-AQNXPRMDSA-N 1 2 351.425 2.551 20 30 FFEDLO Cn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)c1 ZINC001096952138 1016816382 /nfs/dbraw/zinc/81/63/82/1016816382.db2.gz YEHQNXAYUJKTCI-AQNXPRMDSA-N 1 2 351.425 2.551 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@H]1O ZINC001196454260 1003790748 /nfs/dbraw/zinc/79/07/48/1003790748.db2.gz XDCVCVWWZKVIHD-CSMYWGQOSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@H]1O ZINC001196454260 1003790750 /nfs/dbraw/zinc/79/07/50/1003790750.db2.gz XDCVCVWWZKVIHD-CSMYWGQOSA-N 1 2 352.425 2.789 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC001191368079 1003801514 /nfs/dbraw/zinc/80/15/14/1003801514.db2.gz XLNDRJPKPFMKFW-NHCUHLMSSA-N 1 2 357.498 2.845 20 30 FFEDLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc([C@]3(C#N)CCCOC3)n2)C1 ZINC000867180907 1003822133 /nfs/dbraw/zinc/82/21/33/1003822133.db2.gz IZRWFDKYDZQLPW-PXNSSMCTSA-N 1 2 368.437 2.523 20 30 FFEDLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc([C@]3(C#N)CCCOC3)n2)C1 ZINC000867180907 1003822149 /nfs/dbraw/zinc/82/21/49/1003822149.db2.gz IZRWFDKYDZQLPW-PXNSSMCTSA-N 1 2 368.437 2.523 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(F)c1 ZINC001110495720 1004384540 /nfs/dbraw/zinc/38/45/40/1004384540.db2.gz GNEYRZZTIFPVQH-WKCGWZECSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(F)c1 ZINC001110495720 1004384547 /nfs/dbraw/zinc/38/45/47/1004384547.db2.gz GNEYRZZTIFPVQH-WKCGWZECSA-N 1 2 350.409 2.513 20 30 FFEDLO C#CCC(CC#C)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000806789637 1004415079 /nfs/dbraw/zinc/41/50/79/1004415079.db2.gz OGBKHNPHZCZFGN-UHFFFAOYSA-N 1 2 359.433 2.924 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC001110497025 1004417559 /nfs/dbraw/zinc/41/75/59/1004417559.db2.gz MCZKMCSICFLREO-PIKADFDJSA-N 1 2 371.456 2.678 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC001110497025 1004417564 /nfs/dbraw/zinc/41/75/64/1004417564.db2.gz MCZKMCSICFLREO-PIKADFDJSA-N 1 2 371.456 2.678 20 30 FFEDLO COC1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)CCC1 ZINC001110498528 1004430510 /nfs/dbraw/zinc/43/05/10/1004430510.db2.gz RWSSBJGAGRMDOA-QRQLOZEOSA-N 1 2 371.456 2.878 20 30 FFEDLO COC1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)CCC1 ZINC001110498528 1004430513 /nfs/dbraw/zinc/43/05/13/1004430513.db2.gz RWSSBJGAGRMDOA-QRQLOZEOSA-N 1 2 371.456 2.878 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3c2c(F)ccc3F)C[C@H]1O ZINC001193337316 1004454715 /nfs/dbraw/zinc/45/47/15/1004454715.db2.gz OGFZAYOIJDFCEV-BRWVUGGUSA-N 1 2 364.436 2.716 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3c2c(F)ccc3F)C[C@H]1O ZINC001193337316 1004454721 /nfs/dbraw/zinc/45/47/21/1004454721.db2.gz OGFZAYOIJDFCEV-BRWVUGGUSA-N 1 2 364.436 2.716 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1F ZINC001110501015 1004471814 /nfs/dbraw/zinc/47/18/14/1004471814.db2.gz UYIJYIRTGYLWCZ-NWGLXNPWSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1F ZINC001110501015 1004471820 /nfs/dbraw/zinc/47/18/20/1004471820.db2.gz UYIJYIRTGYLWCZ-NWGLXNPWSA-N 1 2 350.409 2.513 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001198080323 1004473150 /nfs/dbraw/zinc/47/31/50/1004473150.db2.gz DREBWFVPBXWXJK-NHCUHLMSSA-N 1 2 356.510 2.950 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001198080323 1004473154 /nfs/dbraw/zinc/47/31/54/1004473154.db2.gz DREBWFVPBXWXJK-NHCUHLMSSA-N 1 2 356.510 2.950 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cccc(C)c1 ZINC001110459266 1004481778 /nfs/dbraw/zinc/48/17/78/1004481778.db2.gz CGGOTTNLDBDVPN-AQNXPRMDSA-N 1 2 367.493 2.849 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cccc(C)c1 ZINC001110459266 1004481783 /nfs/dbraw/zinc/48/17/83/1004481783.db2.gz CGGOTTNLDBDVPN-AQNXPRMDSA-N 1 2 367.493 2.849 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001194077565 1004647171 /nfs/dbraw/zinc/64/71/71/1004647171.db2.gz QDICRGRUZONQIM-SFHVURJKSA-N 1 2 366.446 2.783 20 30 FFEDLO C=CCOC(=O)Nc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001194319031 1004702910 /nfs/dbraw/zinc/70/29/10/1004702910.db2.gz VKDADHQWLCINML-UHFFFAOYSA-N 1 2 366.421 2.779 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCOCC2)C3)c1 ZINC001097019850 1016906791 /nfs/dbraw/zinc/90/67/91/1016906791.db2.gz PYBDTZLMGNUNSD-ZSXHRAQDSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCOCC2)C3)c1 ZINC001097019850 1016906800 /nfs/dbraw/zinc/90/68/00/1016906800.db2.gz PYBDTZLMGNUNSD-ZSXHRAQDSA-N 1 2 371.456 2.736 20 30 FFEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)NC(C2CC2)(C2CC2)C1=O ZINC000101536139 1004859241 /nfs/dbraw/zinc/85/92/41/1004859241.db2.gz JZPDMZWYKVWXKS-UHFFFAOYSA-N 1 2 353.466 2.785 20 30 FFEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)NC(C2CC2)(C2CC2)C1=O ZINC000101536139 1004859246 /nfs/dbraw/zinc/85/92/46/1004859246.db2.gz JZPDMZWYKVWXKS-UHFFFAOYSA-N 1 2 353.466 2.785 20 30 FFEDLO C[NH+]1CCN(c2ccncc2C(=O)Nc2c(F)cc(C#N)cc2Cl)CC1 ZINC001199357021 1004903437 /nfs/dbraw/zinc/90/34/37/1004903437.db2.gz ODGQTEOTAMSQRS-UHFFFAOYSA-N 1 2 373.819 2.750 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C3)c1 ZINC001097027937 1016921061 /nfs/dbraw/zinc/92/10/61/1016921061.db2.gz ALOWKQYGCQENAH-PYOKUCOHSA-N 1 2 363.383 2.820 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C3)c1 ZINC001097027937 1016921075 /nfs/dbraw/zinc/92/10/75/1016921075.db2.gz ALOWKQYGCQENAH-PYOKUCOHSA-N 1 2 363.383 2.820 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)/C=C(/C)CC)C3)c1 ZINC001110534857 1004949014 /nfs/dbraw/zinc/94/90/14/1004949014.db2.gz BDVQARGUSZNPJG-DQYBKFPSSA-N 1 2 365.477 2.684 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)/C=C(/C)CC)C3)c1 ZINC001110534857 1004949019 /nfs/dbraw/zinc/94/90/19/1004949019.db2.gz BDVQARGUSZNPJG-DQYBKFPSSA-N 1 2 365.477 2.684 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001195531061 1004986905 /nfs/dbraw/zinc/98/69/05/1004986905.db2.gz ALKNMDLSPXMMOK-KBRIMQKVSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001195531061 1004986910 /nfs/dbraw/zinc/98/69/10/1004986910.db2.gz ALKNMDLSPXMMOK-KBRIMQKVSA-N 1 2 370.415 2.969 20 30 FFEDLO COc1cc(Cl)ccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110540572 1005005549 /nfs/dbraw/zinc/00/55/49/1005005549.db2.gz YMIMUIFLJOATRO-KURKYZTESA-N 1 2 358.869 2.984 20 30 FFEDLO COc1cc(Cl)ccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110540572 1005005554 /nfs/dbraw/zinc/00/55/54/1005005554.db2.gz YMIMUIFLJOATRO-KURKYZTESA-N 1 2 358.869 2.984 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3oc(C(C)C)nc3C)C[C@H]2O)CCC1 ZINC001195897116 1005062824 /nfs/dbraw/zinc/06/28/24/1005062824.db2.gz PJCZFDRGAMLQNA-HZPDHXFCSA-N 1 2 361.486 2.514 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3oc(C(C)C)nc3C)C[C@H]2O)CCC1 ZINC001195897116 1005062829 /nfs/dbraw/zinc/06/28/29/1005062829.db2.gz PJCZFDRGAMLQNA-HZPDHXFCSA-N 1 2 361.486 2.514 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3sccc3Cl)C[C@H]2O)CC1 ZINC001195906046 1005070991 /nfs/dbraw/zinc/07/09/91/1005070991.db2.gz LTSSHAYWVJABLH-ZIAGYGMSSA-N 1 2 354.903 2.809 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3sccc3Cl)C[C@H]2O)CC1 ZINC001195906046 1005070995 /nfs/dbraw/zinc/07/09/95/1005070995.db2.gz LTSSHAYWVJABLH-ZIAGYGMSSA-N 1 2 354.903 2.809 20 30 FFEDLO COCC1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)CC1 ZINC001110549242 1005093174 /nfs/dbraw/zinc/09/31/74/1005093174.db2.gz ZWTOZHWOZJQOAA-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO COCC1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)CC1 ZINC001110549242 1005093179 /nfs/dbraw/zinc/09/31/79/1005093179.db2.gz ZWTOZHWOZJQOAA-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO CCOCC[NH+]1CCN(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)CC1 ZINC000106106318 1005245425 /nfs/dbraw/zinc/24/54/25/1005245425.db2.gz XZQZXZJWPJHUJD-LTGZKZEYSA-N 1 2 371.525 2.521 20 30 FFEDLO C=C(C)CCC(=O)N1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001488548510 1005361130 /nfs/dbraw/zinc/36/11/30/1005361130.db2.gz LTZWKBVFCFPBAQ-DJIMGWMZSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)CCC(=O)N1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001488548510 1005361133 /nfs/dbraw/zinc/36/11/33/1005361133.db2.gz LTZWKBVFCFPBAQ-DJIMGWMZSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCCO2)[C@H]1CC ZINC001489103363 1005409515 /nfs/dbraw/zinc/40/95/15/1005409515.db2.gz ITBRHTZSTAUIPL-SOUVJXGZSA-N 1 2 359.308 2.823 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCCO2)[C@H]1CC ZINC001489103363 1005409517 /nfs/dbraw/zinc/40/95/17/1005409517.db2.gz ITBRHTZSTAUIPL-SOUVJXGZSA-N 1 2 359.308 2.823 20 30 FFEDLO C=CC1(CC(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)[C@@H]2CC)CCCCC1 ZINC001489135243 1005420666 /nfs/dbraw/zinc/42/06/66/1005420666.db2.gz RQCPDGVYJOFMMU-ZWKOTPCHSA-N 1 2 359.518 2.811 20 30 FFEDLO C=CC1(CC(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)[C@@H]2CC)CCCCC1 ZINC001489135243 1005420667 /nfs/dbraw/zinc/42/06/67/1005420667.db2.gz RQCPDGVYJOFMMU-ZWKOTPCHSA-N 1 2 359.518 2.811 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(O)cc2)[C@@H]1C ZINC001489288489 1005449633 /nfs/dbraw/zinc/44/96/33/1005449633.db2.gz FIMCYNKQPYRTKJ-LIVBEALHSA-N 1 2 359.470 2.512 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(O)cc2)[C@@H]1C ZINC001489288489 1005449634 /nfs/dbraw/zinc/44/96/34/1005449634.db2.gz FIMCYNKQPYRTKJ-LIVBEALHSA-N 1 2 359.470 2.512 20 30 FFEDLO C[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1C)n1cccn1 ZINC001489300471 1005452817 /nfs/dbraw/zinc/45/28/17/1005452817.db2.gz LPXGMONRIANWOL-KHYOSLBOSA-N 1 2 369.444 2.624 20 30 FFEDLO C[C@@H](CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1C)n1cccn1 ZINC001489300471 1005452819 /nfs/dbraw/zinc/45/28/19/1005452819.db2.gz LPXGMONRIANWOL-KHYOSLBOSA-N 1 2 369.444 2.624 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(c2ccccc2)C1=O ZINC001110610522 1005670532 /nfs/dbraw/zinc/67/05/32/1005670532.db2.gz HGUVNINQKGZOTR-YSTOQKLRSA-N 1 2 367.493 2.870 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(c2ccccc2)C1=O ZINC001110610522 1005670534 /nfs/dbraw/zinc/67/05/34/1005670534.db2.gz HGUVNINQKGZOTR-YSTOQKLRSA-N 1 2 367.493 2.870 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C)OCC ZINC001110616778 1005764288 /nfs/dbraw/zinc/76/42/88/1005764288.db2.gz QHXZDUZRGBWSGG-FPAYPSAMSA-N 1 2 361.486 2.884 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C)OCC ZINC001110616778 1005764289 /nfs/dbraw/zinc/76/42/89/1005764289.db2.gz QHXZDUZRGBWSGG-FPAYPSAMSA-N 1 2 361.486 2.884 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)OCCCC)[C@@H]2C1 ZINC001187167476 1005962272 /nfs/dbraw/zinc/96/22/72/1005962272.db2.gz CIBCLCBNGXVZLR-QLFBSQMISA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)OCCCC)[C@@H]2C1 ZINC001187167476 1005962277 /nfs/dbraw/zinc/96/22/77/1005962277.db2.gz CIBCLCBNGXVZLR-QLFBSQMISA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Br)c[nH]1)C2 ZINC001095713522 1017039629 /nfs/dbraw/zinc/03/96/29/1017039629.db2.gz XWAPFGAGLNYRSH-MDZLAQPJSA-N 1 2 358.667 2.865 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Br)c[nH]1)C2 ZINC001095713522 1017039637 /nfs/dbraw/zinc/03/96/37/1017039637.db2.gz XWAPFGAGLNYRSH-MDZLAQPJSA-N 1 2 358.667 2.865 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000111232838 1006361172 /nfs/dbraw/zinc/36/11/72/1006361172.db2.gz QKJKQAXVCIJKLK-MRXNPFEDSA-N 1 2 355.438 2.996 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000111232838 1006361184 /nfs/dbraw/zinc/36/11/84/1006361184.db2.gz QKJKQAXVCIJKLK-MRXNPFEDSA-N 1 2 355.438 2.996 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000853613969 1006476776 /nfs/dbraw/zinc/47/67/76/1006476776.db2.gz PKSZZWZDMXBAHP-KRWDZBQOSA-N 1 2 356.470 2.966 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC001135068060 1006654399 /nfs/dbraw/zinc/65/43/99/1006654399.db2.gz ZFAVORJADSKDMP-KKUMJFAQSA-N 1 2 364.490 2.505 20 30 FFEDLO Cc1ccc2sc(C[N@@H+]3[C@@H]4CC[C@H]3[C@H](NC(=O)[C@@H](C)C#N)C4)nc2c1 ZINC001110401757 1006691711 /nfs/dbraw/zinc/69/17/11/1006691711.db2.gz NBMRCYNLRBNSRQ-NHIYQJMISA-N 1 2 354.479 2.986 20 30 FFEDLO Cc1ccc2sc(C[N@H+]3[C@@H]4CC[C@H]3[C@H](NC(=O)[C@@H](C)C#N)C4)nc2c1 ZINC001110401757 1006691718 /nfs/dbraw/zinc/69/17/18/1006691718.db2.gz NBMRCYNLRBNSRQ-NHIYQJMISA-N 1 2 354.479 2.986 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nc(CC)no3)C[C@H]21 ZINC001188792922 1006714744 /nfs/dbraw/zinc/71/47/44/1006714744.db2.gz AUXURHRETBWUEE-YESZJQIVSA-N 1 2 358.486 2.809 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3nc(CC)no3)C[C@H]21 ZINC001188792922 1006714760 /nfs/dbraw/zinc/71/47/60/1006714760.db2.gz AUXURHRETBWUEE-YESZJQIVSA-N 1 2 358.486 2.809 20 30 FFEDLO N#CCc1ccccc1CC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000854412911 1006819575 /nfs/dbraw/zinc/81/95/75/1006819575.db2.gz WCFJEWLUSVIMJL-UHFFFAOYSA-N 1 2 368.506 2.916 20 30 FFEDLO COCCn1c[nH+]cc1CNC(=O)c1ccc(C#C[Si](C)(C)C)cc1 ZINC001189176482 1006954625 /nfs/dbraw/zinc/95/46/25/1006954625.db2.gz CGRRYBMUCPMAKN-UHFFFAOYSA-N 1 2 355.514 2.688 20 30 FFEDLO N#Cc1ccccc1/C=C/C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000028954722 1007029988 /nfs/dbraw/zinc/02/99/88/1007029988.db2.gz SHWDRAMRHFWRTB-ZHACJKMWSA-N 1 2 361.445 2.795 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC2CC2)C3)c1 ZINC001110410737 1007189595 /nfs/dbraw/zinc/18/95/95/1007189595.db2.gz DUTPZZTUJAUFTR-AQNXPRMDSA-N 1 2 365.477 2.518 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC2CC2)C3)c1 ZINC001110410737 1007189602 /nfs/dbraw/zinc/18/96/02/1007189602.db2.gz DUTPZZTUJAUFTR-AQNXPRMDSA-N 1 2 365.477 2.518 20 30 FFEDLO C=CCC1(O)CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000884094262 1007233949 /nfs/dbraw/zinc/23/39/49/1007233949.db2.gz GKCQZVDRDQINPB-UHFFFAOYSA-N 1 2 358.417 2.624 20 30 FFEDLO N#CCOc1cc(F)ccc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000135322488 1007503156 /nfs/dbraw/zinc/50/31/56/1007503156.db2.gz HIXLKHVWCRVGQO-UHFFFAOYSA-N 1 2 357.389 2.625 20 30 FFEDLO C=C[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3nonc3C)C[C@H]21)c1ccccc1 ZINC001190281791 1007568580 /nfs/dbraw/zinc/56/85/80/1007568580.db2.gz JHKMPFFDHCKVPK-XKGZKEIXSA-N 1 2 366.465 2.771 20 30 FFEDLO C=C[C@@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3nonc3C)C[C@H]21)c1ccccc1 ZINC001190281791 1007568588 /nfs/dbraw/zinc/56/85/88/1007568588.db2.gz JHKMPFFDHCKVPK-XKGZKEIXSA-N 1 2 366.465 2.771 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001190439763 1007640756 /nfs/dbraw/zinc/64/07/56/1007640756.db2.gz BYYWYWNAMJTYKN-SUNYJGFJSA-N 1 2 350.409 2.589 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001190439763 1007640762 /nfs/dbraw/zinc/64/07/62/1007640762.db2.gz BYYWYWNAMJTYKN-SUNYJGFJSA-N 1 2 350.409 2.589 20 30 FFEDLO CC[C@@H]1C[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CCO1 ZINC000817708235 1007712292 /nfs/dbraw/zinc/71/22/92/1007712292.db2.gz VVBYCMFKPPASMM-ZIAGYGMSSA-N 1 2 354.454 2.604 20 30 FFEDLO CC[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1F ZINC001190628124 1007727893 /nfs/dbraw/zinc/72/78/93/1007727893.db2.gz RYMGXSSYZAJLIH-UHFFFAOYSA-N 1 2 350.393 2.947 20 30 FFEDLO CC[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1F ZINC001190628124 1007727902 /nfs/dbraw/zinc/72/79/02/1007727902.db2.gz RYMGXSSYZAJLIH-UHFFFAOYSA-N 1 2 350.393 2.947 20 30 FFEDLO CCO[C@H](CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206379113 1032261959 /nfs/dbraw/zinc/26/19/59/1032261959.db2.gz SAYSYWLZEAGCQV-ATZDWAIDSA-N 1 2 362.901 2.943 20 30 FFEDLO CCO[C@H](CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206379113 1032261972 /nfs/dbraw/zinc/26/19/72/1032261972.db2.gz SAYSYWLZEAGCQV-ATZDWAIDSA-N 1 2 362.901 2.943 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000819433757 1008133240 /nfs/dbraw/zinc/13/32/40/1008133240.db2.gz BEPOPLOTEQHWSN-FQEVSTJZSA-N 1 2 364.449 2.756 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000819433757 1008133243 /nfs/dbraw/zinc/13/32/43/1008133243.db2.gz BEPOPLOTEQHWSN-FQEVSTJZSA-N 1 2 364.449 2.756 20 30 FFEDLO C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1OC ZINC000857964867 1008264268 /nfs/dbraw/zinc/26/42/68/1008264268.db2.gz APEWOGJTAACNQD-GMNBZTITSA-N 1 2 353.422 2.601 20 30 FFEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)CCCCC1 ZINC000858045372 1008288079 /nfs/dbraw/zinc/28/80/79/1008288079.db2.gz RLDHUKKISNVWSO-GOSISDBHSA-N 1 2 368.481 2.755 20 30 FFEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)CCCCC1 ZINC000858045372 1008288081 /nfs/dbraw/zinc/28/80/81/1008288081.db2.gz RLDHUKKISNVWSO-GOSISDBHSA-N 1 2 368.481 2.755 20 30 FFEDLO CCOCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CC1 ZINC001110739757 1008305894 /nfs/dbraw/zinc/30/58/94/1008305894.db2.gz PTIREVXAUQSQLS-QRVBRYPASA-N 1 2 353.466 2.596 20 30 FFEDLO CCOCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CC1 ZINC001110739757 1008305897 /nfs/dbraw/zinc/30/58/97/1008305897.db2.gz PTIREVXAUQSQLS-QRVBRYPASA-N 1 2 353.466 2.596 20 30 FFEDLO C#C[C@@H](C)NC(=O)N(CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000820441473 1008331870 /nfs/dbraw/zinc/33/18/70/1008331870.db2.gz VKLDIIZMWKTIDS-QGZVFWFLSA-N 1 2 354.454 2.905 20 30 FFEDLO C#CCCCOc1cccnc1N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000820624381 1008352536 /nfs/dbraw/zinc/35/25/36/1008352536.db2.gz ODHPWKFZSIBYOC-UHFFFAOYSA-N 1 2 354.454 2.801 20 30 FFEDLO C#CCN(CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1)C(=O)OC(C)(C)C ZINC000820737373 1008371830 /nfs/dbraw/zinc/37/18/30/1008371830.db2.gz BDFARXSJIZJOFU-UHFFFAOYSA-N 1 2 354.410 2.681 20 30 FFEDLO C[C@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000859228122 1008490382 /nfs/dbraw/zinc/49/03/82/1008490382.db2.gz PBPKVKWURQKTJX-IRXDYDNUSA-N 1 2 355.482 2.595 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccccc3s1)C2 ZINC001110772926 1008510760 /nfs/dbraw/zinc/51/07/60/1008510760.db2.gz SLCWDJXPIUFYPQ-ZACQAIPSSA-N 1 2 354.475 2.886 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccccc3s1)C2 ZINC001110772926 1008510762 /nfs/dbraw/zinc/51/07/62/1008510762.db2.gz SLCWDJXPIUFYPQ-ZACQAIPSSA-N 1 2 354.475 2.886 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[C@H](C)CCC)C2)c1 ZINC001206518143 1032325088 /nfs/dbraw/zinc/32/50/88/1032325088.db2.gz OFTYRXIJQLRJSD-MBOZVWFJSA-N 1 2 369.509 2.869 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C[C@H](C)CCC)C2)c1 ZINC001206518143 1032325101 /nfs/dbraw/zinc/32/51/01/1032325101.db2.gz OFTYRXIJQLRJSD-MBOZVWFJSA-N 1 2 369.509 2.869 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1nc3ccccc3[nH]1)C2 ZINC001110775823 1008606077 /nfs/dbraw/zinc/60/60/77/1008606077.db2.gz UIMCWFDGLRRSDI-XYPHTWIQSA-N 1 2 358.873 2.970 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1nc3ccccc3[nH]1)C2 ZINC001110775823 1008606088 /nfs/dbraw/zinc/60/60/88/1008606088.db2.gz UIMCWFDGLRRSDI-XYPHTWIQSA-N 1 2 358.873 2.970 20 30 FFEDLO N#C[C@@H](Cc1cccs1)C(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001177912517 1008782850 /nfs/dbraw/zinc/78/28/50/1008782850.db2.gz QLXUFABDTOGLQF-HIFRSBDPSA-N 1 2 353.438 2.762 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001090654951 1008939978 /nfs/dbraw/zinc/93/99/78/1008939978.db2.gz OECHDEUDWNRVPQ-FRFSOERESA-N 1 2 358.486 2.585 20 30 FFEDLO C/C(=C/C(=O)N1CCC(c2ccc(C#N)cc2)CC1)C[NH+]1CCOCC1 ZINC000887699147 1009469507 /nfs/dbraw/zinc/46/95/07/1009469507.db2.gz OFJYAONVYJXPHP-VKAVYKQESA-N 1 2 353.466 2.543 20 30 FFEDLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000887772717 1009577977 /nfs/dbraw/zinc/57/79/77/1009577977.db2.gz ZNEFIFZXXNOZEY-GOSISDBHSA-N 1 2 365.433 2.796 20 30 FFEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F)n1cccc1 ZINC001095317765 1009792428 /nfs/dbraw/zinc/79/24/28/1009792428.db2.gz CXQXOHZBAFGWLE-JBCDFXQESA-N 1 2 366.440 2.982 20 30 FFEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F)n1cccc1 ZINC001095317765 1009792441 /nfs/dbraw/zinc/79/24/41/1009792441.db2.gz CXQXOHZBAFGWLE-JBCDFXQESA-N 1 2 366.440 2.982 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)Cc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC001180898434 1009905199 /nfs/dbraw/zinc/90/51/99/1009905199.db2.gz OREOWKBULXBJFV-UHFFFAOYSA-N 1 2 359.470 2.906 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@@H]2CCC[C@]2(CNc2cc[nH+]c(C)n2)C1 ZINC001093120867 1009921671 /nfs/dbraw/zinc/92/16/71/1009921671.db2.gz QETKFGPEXKURJY-PXNSSMCTSA-N 1 2 358.486 2.808 20 30 FFEDLO Cc1cc(NCCNC(=O)Cc2cccc(OCC#N)c2)nc(C(C)C)[nH+]1 ZINC000862860921 1010019481 /nfs/dbraw/zinc/01/94/81/1010019481.db2.gz UFFKYWILAIDWQN-UHFFFAOYSA-N 1 2 367.453 2.582 20 30 FFEDLO CCCC[C@H](CNc1ccc(C#N)c(C)n1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001114331418 1010157940 /nfs/dbraw/zinc/15/79/40/1010157940.db2.gz QDPMMNRCBIQJHT-BRWVUGGUSA-N 1 2 366.469 2.875 20 30 FFEDLO CCCC[C@H](CNc1ccc(C#N)c(C)n1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001114331418 1010157944 /nfs/dbraw/zinc/15/79/44/1010157944.db2.gz QDPMMNRCBIQJHT-BRWVUGGUSA-N 1 2 366.469 2.875 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+](CN1C(=O)C3(CCC3)[C@@H]1[C@H]1CCCO1)C2 ZINC000863335353 1010182805 /nfs/dbraw/zinc/18/28/05/1010182805.db2.gz FQAPEAXJTUZMCG-UXHICEINSA-N 1 2 365.477 2.628 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+](CN1C(=O)C3(CCC3)[C@@H]1[C@H]1CCCO1)C2 ZINC000863335353 1010182812 /nfs/dbraw/zinc/18/28/12/1010182812.db2.gz FQAPEAXJTUZMCG-UXHICEINSA-N 1 2 365.477 2.628 20 30 FFEDLO Cc1c(NC[C@@H](O)C[N@H+](C)CCC#N)cccc1NC(=O)OC(C)(C)C ZINC000863573871 1010258952 /nfs/dbraw/zinc/25/89/52/1010258952.db2.gz CYDWXWDZHNLHHC-OAHLLOKOSA-N 1 2 362.474 2.960 20 30 FFEDLO Cc1c(NC[C@@H](O)C[N@@H+](C)CCC#N)cccc1NC(=O)OC(C)(C)C ZINC000863573871 1010258959 /nfs/dbraw/zinc/25/89/59/1010258959.db2.gz CYDWXWDZHNLHHC-OAHLLOKOSA-N 1 2 362.474 2.960 20 30 FFEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3F)CC2)C1 ZINC001093581231 1010348464 /nfs/dbraw/zinc/34/84/64/1010348464.db2.gz BWXMNGPZRREKET-RBUKOAKNSA-N 1 2 358.457 2.807 20 30 FFEDLO Cc1nccc(CO[NH+]=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)n1 ZINC000794722435 1010567178 /nfs/dbraw/zinc/56/71/78/1010567178.db2.gz QPCGVKNAUDWYPC-UHFFFAOYSA-N 1 2 371.441 2.647 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001206912603 1032494351 /nfs/dbraw/zinc/49/43/51/1032494351.db2.gz UKTJZTVSLBTJIO-ZIFCJYIRSA-N 1 2 365.481 2.568 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001206912603 1032494357 /nfs/dbraw/zinc/49/43/57/1032494357.db2.gz UKTJZTVSLBTJIO-ZIFCJYIRSA-N 1 2 365.481 2.568 20 30 FFEDLO CCc1cccc(C)c1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C1 ZINC001206939632 1032512952 /nfs/dbraw/zinc/51/29/52/1032512952.db2.gz NLHZKYYYPUYFLK-IEBWSBKVSA-N 1 2 369.509 2.592 20 30 FFEDLO CCc1cccc(C)c1NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C1 ZINC001206939632 1032512960 /nfs/dbraw/zinc/51/29/60/1032512960.db2.gz NLHZKYYYPUYFLK-IEBWSBKVSA-N 1 2 369.509 2.592 20 30 FFEDLO COCCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866384840 1010986807 /nfs/dbraw/zinc/98/68/07/1010986807.db2.gz DRADULYRYLOIGO-QAPCUYQASA-N 1 2 370.449 2.543 20 30 FFEDLO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001490799735 1011086373 /nfs/dbraw/zinc/08/63/73/1011086373.db2.gz QLTBEAXCKURGIY-DYQZNNLLSA-N 1 2 352.478 2.505 20 30 FFEDLO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001490799735 1011086378 /nfs/dbraw/zinc/08/63/78/1011086378.db2.gz QLTBEAXCKURGIY-DYQZNNLLSA-N 1 2 352.478 2.505 20 30 FFEDLO COC(=O)c1sc(Nc2ccc(C[NH+]3CC(O)C3)cc2)c(C#N)c1C ZINC001212665210 1011848803 /nfs/dbraw/zinc/84/88/03/1011848803.db2.gz CLBKRYZDVYEXGO-UHFFFAOYSA-N 1 2 357.435 2.635 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958560810 1011876289 /nfs/dbraw/zinc/87/62/89/1011876289.db2.gz DEZVQXOEHXFORP-DUXSXAKTSA-N 1 2 354.454 2.742 20 30 FFEDLO CCCCCCCC[N@@H+]1C[C@]2(F)CN(Cc3cncn3C)C(=O)[C@]2(F)C1 ZINC001275115133 1011957121 /nfs/dbraw/zinc/95/71/21/1011957121.db2.gz TZXYIPKLNJHXRD-RBUKOAKNSA-N 1 2 368.472 2.855 20 30 FFEDLO CCCCCCCC[N@H+]1C[C@]2(F)CN(Cc3cncn3C)C(=O)[C@]2(F)C1 ZINC001275115133 1011957142 /nfs/dbraw/zinc/95/71/42/1011957142.db2.gz TZXYIPKLNJHXRD-RBUKOAKNSA-N 1 2 368.472 2.855 20 30 FFEDLO CC(=O)[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cc(C#N)ccc1Cl)CC2 ZINC001275234513 1012121846 /nfs/dbraw/zinc/12/18/46/1012121846.db2.gz PANWKHYICJWUFS-CXAGYDPISA-N 1 2 373.884 2.907 20 30 FFEDLO COc1cccc([C@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CC[NH2+]2)c1 ZINC000870154858 1012214613 /nfs/dbraw/zinc/21/46/13/1012214613.db2.gz QAWPOYGGEJFQRK-PWRODBHTSA-N 1 2 361.445 2.843 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(Br)n1 ZINC001275345682 1012336841 /nfs/dbraw/zinc/33/68/41/1012336841.db2.gz XVXIHLGAHAIJFQ-ZIAGYGMSSA-N 1 2 350.260 2.595 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(Br)n1 ZINC001275345682 1012336855 /nfs/dbraw/zinc/33/68/55/1012336855.db2.gz XVXIHLGAHAIJFQ-ZIAGYGMSSA-N 1 2 350.260 2.595 20 30 FFEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)c(O)c(F)c1)CC2 ZINC001275426818 1012447122 /nfs/dbraw/zinc/44/71/22/1012447122.db2.gz ASTZZRRMBOUGAH-CQSZACIVSA-N 1 2 363.408 2.692 20 30 FFEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)c(O)c(F)c1)CC2 ZINC001275433862 1012458089 /nfs/dbraw/zinc/45/80/89/1012458089.db2.gz UYIUJHASZWOMQY-CQSZACIVSA-N 1 2 350.409 2.965 20 30 FFEDLO C=C(C)CN1C(=O)C2(CC[NH+](CC(=O)OCC)CC2)[C@@H]1c1ccccc1 ZINC001275555291 1012611614 /nfs/dbraw/zinc/61/16/14/1012611614.db2.gz RGICFAINEYLTEC-IBGZPJMESA-N 1 2 356.466 2.791 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(CC(C)C)CC(C)C)C2 ZINC001110170829 1012668227 /nfs/dbraw/zinc/66/82/27/1012668227.db2.gz XOECDTVBDHUWSD-QYZOEREBSA-N 1 2 363.546 2.719 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(CC(C)C)CC(C)C)C2 ZINC001110170829 1012668238 /nfs/dbraw/zinc/66/82/38/1012668238.db2.gz XOECDTVBDHUWSD-QYZOEREBSA-N 1 2 363.546 2.719 20 30 FFEDLO Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)n1 ZINC001095187306 1012669860 /nfs/dbraw/zinc/66/98/60/1012669860.db2.gz ZBUMBTBCQNDSBN-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)n1 ZINC001095187306 1012669868 /nfs/dbraw/zinc/66/98/68/1012669868.db2.gz ZBUMBTBCQNDSBN-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2O)C3)c(F)c1 ZINC001095188572 1012673312 /nfs/dbraw/zinc/67/33/12/1012673312.db2.gz MDDIZFJLYZHGKU-MNEFBYGVSA-N 1 2 365.408 2.938 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2O)C3)c(F)c1 ZINC001095188572 1012673318 /nfs/dbraw/zinc/67/33/18/1012673318.db2.gz MDDIZFJLYZHGKU-MNEFBYGVSA-N 1 2 365.408 2.938 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cccc(Cl)c1Cl)C2 ZINC001275655037 1012765140 /nfs/dbraw/zinc/76/51/40/1012765140.db2.gz XNOHJPJJLRVFTL-GOSISDBHSA-N 1 2 367.276 2.678 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(Cl)c1Cl)C2 ZINC001275655037 1012765155 /nfs/dbraw/zinc/76/51/55/1012765155.db2.gz XNOHJPJJLRVFTL-GOSISDBHSA-N 1 2 367.276 2.678 20 30 FFEDLO CC1(C#N)CCC([NH+]2CCN(c3ccccc3S(C)(=O)=O)CC2)CC1 ZINC001173600823 1012770496 /nfs/dbraw/zinc/77/04/96/1012770496.db2.gz KAQVXMWGSBTZQM-UHFFFAOYSA-N 1 2 361.511 2.685 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2cscn2)C3)c1 ZINC001097983848 1017230695 /nfs/dbraw/zinc/23/06/95/1017230695.db2.gz GSBGMSBMRQPHQB-NXHRZFHOSA-N 1 2 370.453 2.618 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2cscn2)C3)c1 ZINC001097983848 1017230702 /nfs/dbraw/zinc/23/07/02/1017230702.db2.gz GSBGMSBMRQPHQB-NXHRZFHOSA-N 1 2 370.453 2.618 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC(Nc2cccc(F)c2C#N)C1 ZINC001052080379 1017317504 /nfs/dbraw/zinc/31/75/04/1017317504.db2.gz GMRZVCUGILTSLQ-NEXFUWMNSA-N 1 2 367.428 2.541 20 30 FFEDLO CCCc1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001097405999 1017465138 /nfs/dbraw/zinc/46/51/38/1017465138.db2.gz TWEVIQBHRGUIGL-PJSAGSTRSA-N 1 2 369.494 2.831 20 30 FFEDLO CCCc1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001097405999 1017465146 /nfs/dbraw/zinc/46/51/46/1017465146.db2.gz TWEVIQBHRGUIGL-PJSAGSTRSA-N 1 2 369.494 2.831 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001055466190 1017559639 /nfs/dbraw/zinc/55/96/39/1017559639.db2.gz QTGFBTMATUNLDL-ZACQAIPSSA-N 1 2 365.481 2.875 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cccc(C)c1 ZINC001110897595 1017565750 /nfs/dbraw/zinc/56/57/50/1017565750.db2.gz QVFRQFSOINZNDD-KURKYZTESA-N 1 2 355.482 2.867 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cccc(C)c1 ZINC001110897595 1017565758 /nfs/dbraw/zinc/56/57/58/1017565758.db2.gz QVFRQFSOINZNDD-KURKYZTESA-N 1 2 355.482 2.867 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(C(F)(F)F)nc1 ZINC001110898829 1017601316 /nfs/dbraw/zinc/60/13/16/1017601316.db2.gz VNAOMVRBANJRTD-MCIONIFRSA-N 1 2 368.403 2.929 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(C(F)(F)F)nc1 ZINC001110898829 1017601321 /nfs/dbraw/zinc/60/13/21/1017601321.db2.gz VNAOMVRBANJRTD-MCIONIFRSA-N 1 2 368.403 2.929 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc([C@H](C)CC)cc3)[C@@H]2C1 ZINC001222057947 1032712374 /nfs/dbraw/zinc/71/23/74/1032712374.db2.gz IKLIPIKNGKGWLY-NSISKUIASA-N 1 2 369.509 2.649 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc([C@H](C)CC)cc3)[C@@H]2C1 ZINC001222057947 1032712393 /nfs/dbraw/zinc/71/23/93/1032712393.db2.gz IKLIPIKNGKGWLY-NSISKUIASA-N 1 2 369.509 2.649 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCCCC1 ZINC001110899693 1017656720 /nfs/dbraw/zinc/65/67/20/1017656720.db2.gz MWWXACMHCZTFLA-KURKYZTESA-N 1 2 361.530 2.617 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCCCC1 ZINC001110899693 1017656726 /nfs/dbraw/zinc/65/67/26/1017656726.db2.gz MWWXACMHCZTFLA-KURKYZTESA-N 1 2 361.530 2.617 20 30 FFEDLO NC(=[NH+]OCC(=O)N1CCCC1)c1ccc(COc2ccccc2F)cc1 ZINC000748795873 1017658765 /nfs/dbraw/zinc/65/87/65/1017658765.db2.gz HIPRYIMZRFRJLP-UHFFFAOYSA-N 1 2 371.412 2.664 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3nc(C)n(C)c3c1)C2 ZINC001097633983 1017734008 /nfs/dbraw/zinc/73/40/08/1017734008.db2.gz BUMIISZMYWMDTE-OIISXLGYSA-N 1 2 358.873 2.969 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3nc(C)n(C)c3c1)C2 ZINC001097633983 1017734020 /nfs/dbraw/zinc/73/40/20/1017734020.db2.gz BUMIISZMYWMDTE-OIISXLGYSA-N 1 2 358.873 2.969 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnc3ccc(C)cc31)C2 ZINC001097707106 1017823703 /nfs/dbraw/zinc/82/37/03/1017823703.db2.gz ILLOHWSZEHKDKL-OIISXLGYSA-N 1 2 358.873 2.819 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnc3ccc(C)cc31)C2 ZINC001097707106 1017823721 /nfs/dbraw/zinc/82/37/21/1017823721.db2.gz ILLOHWSZEHKDKL-OIISXLGYSA-N 1 2 358.873 2.819 20 30 FFEDLO COCC#CC[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000680428292 1017983536 /nfs/dbraw/zinc/98/35/36/1017983536.db2.gz XVRYSGKTYVHHOC-NSHDSACASA-N 1 2 350.216 2.800 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(-c3ncon3)c1)C2 ZINC001097832340 1018018245 /nfs/dbraw/zinc/01/82/45/1018018245.db2.gz LRKXJKZEQPHSSS-OAGGEKHMSA-N 1 2 358.829 2.824 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(-c3ncon3)c1)C2 ZINC001097832340 1018018260 /nfs/dbraw/zinc/01/82/60/1018018260.db2.gz LRKXJKZEQPHSSS-OAGGEKHMSA-N 1 2 358.829 2.824 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ocnc1C(F)F ZINC001097859818 1018040309 /nfs/dbraw/zinc/04/03/09/1018040309.db2.gz YODPUJMKLOCTQR-OAGGEKHMSA-N 1 2 371.387 2.999 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ocnc1C(F)F ZINC001097859818 1018040325 /nfs/dbraw/zinc/04/03/25/1018040325.db2.gz YODPUJMKLOCTQR-OAGGEKHMSA-N 1 2 371.387 2.999 20 30 FFEDLO CCC(CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C#N)nc2)C1 ZINC001052723310 1018057382 /nfs/dbraw/zinc/05/73/82/1018057382.db2.gz REOYQPUUNOXLPV-QZTJIDSGSA-N 1 2 366.469 2.529 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)[nH]1 ZINC001097868054 1018082141 /nfs/dbraw/zinc/08/21/41/1018082141.db2.gz XOXPUOPABARDRI-NXHRZFHOSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)[nH]1 ZINC001097868054 1018082154 /nfs/dbraw/zinc/08/21/54/1018082154.db2.gz XOXPUOPABARDRI-NXHRZFHOSA-N 1 2 367.428 2.573 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccnc(C)n2)C1 ZINC001052750031 1018082487 /nfs/dbraw/zinc/08/24/87/1018082487.db2.gz ARCVYBXGCAGYRN-QINHECLXSA-N 1 2 368.485 2.527 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1Nc1cccc(F)c1C#N ZINC001052753205 1018084439 /nfs/dbraw/zinc/08/44/39/1018084439.db2.gz SLTYPBQHAAMWTG-RHSMWYFYSA-N 1 2 367.428 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)n1 ZINC001097879175 1018143584 /nfs/dbraw/zinc/14/35/84/1018143584.db2.gz DQNBOHBQAYJJMW-MTSZKFMLSA-N 1 2 361.873 2.548 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)n1 ZINC001097879175 1018143587 /nfs/dbraw/zinc/14/35/87/1018143587.db2.gz DQNBOHBQAYJJMW-MTSZKFMLSA-N 1 2 361.873 2.548 20 30 FFEDLO N#CCOc1cccc(CC(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000927087986 1018355297 /nfs/dbraw/zinc/35/52/97/1018355297.db2.gz SWCOCWUPAXIRHH-UHFFFAOYSA-N 1 2 350.422 2.630 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)O2 ZINC001053629715 1018390762 /nfs/dbraw/zinc/39/07/62/1018390762.db2.gz UCKYIZXQXQOZGT-SVFBPWRDSA-N 1 2 354.494 2.890 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC)O2 ZINC001053676231 1018412664 /nfs/dbraw/zinc/41/26/64/1018412664.db2.gz YRPUHIFUQXRFOV-NZSAHSFTSA-N 1 2 370.493 2.724 20 30 FFEDLO Cc1ccc(C(=O)/C=C\C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1 ZINC000901140839 1018768193 /nfs/dbraw/zinc/76/81/93/1018768193.db2.gz WBUASFJSNIYTPH-NTMALXAHSA-N 1 2 365.433 2.913 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000682528164 1018859662 /nfs/dbraw/zinc/85/96/62/1018859662.db2.gz QQCICZBCMHBPEA-ZBFHGGJFSA-N 1 2 357.429 2.671 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000682528164 1018859680 /nfs/dbraw/zinc/85/96/80/1018859680.db2.gz QQCICZBCMHBPEA-ZBFHGGJFSA-N 1 2 357.429 2.671 20 30 FFEDLO CCn1c[nH+]cc1/C=C/C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000901428180 1019074739 /nfs/dbraw/zinc/07/47/39/1019074739.db2.gz WEYSCQZXHYAQIE-DHZHZOJOSA-N 1 2 373.478 2.974 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000801580216 1019138729 /nfs/dbraw/zinc/13/87/29/1019138729.db2.gz AXCPTULRNZUWEM-RBBKRZOGSA-N 1 2 364.445 2.798 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000801580216 1019138735 /nfs/dbraw/zinc/13/87/35/1019138735.db2.gz AXCPTULRNZUWEM-RBBKRZOGSA-N 1 2 364.445 2.798 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC(CNc2cccc(F)c2C#N)C1 ZINC001067885793 1019170428 /nfs/dbraw/zinc/17/04/28/1019170428.db2.gz ACBKEBLJKUTTCD-NEXFUWMNSA-N 1 2 367.428 2.541 20 30 FFEDLO CN(c1cccc(F)c1C#N)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001068741417 1019346993 /nfs/dbraw/zinc/34/69/93/1019346993.db2.gz UDHKFORZSLMVCD-HUUCEWRRSA-N 1 2 367.428 2.651 20 30 FFEDLO CN(c1cccc(F)c1C#N)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001068741417 1019347007 /nfs/dbraw/zinc/34/70/07/1019347007.db2.gz UDHKFORZSLMVCD-HUUCEWRRSA-N 1 2 367.428 2.651 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)c(C)o1 ZINC001098092119 1019437919 /nfs/dbraw/zinc/43/79/19/1019437919.db2.gz QXRCAXXNVQHOOG-WQVCFCJDSA-N 1 2 356.451 2.760 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)c(C)o1 ZINC001098092119 1019437924 /nfs/dbraw/zinc/43/79/24/1019437924.db2.gz QXRCAXXNVQHOOG-WQVCFCJDSA-N 1 2 356.451 2.760 20 30 FFEDLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)CCCOC1 ZINC001096252570 1019624829 /nfs/dbraw/zinc/62/48/29/1019624829.db2.gz UJECLXGFEWTPSG-SAJDGTNDSA-N 1 2 371.456 2.736 20 30 FFEDLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)CCCOC1 ZINC001096252570 1019624840 /nfs/dbraw/zinc/62/48/40/1019624840.db2.gz UJECLXGFEWTPSG-SAJDGTNDSA-N 1 2 371.456 2.736 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](Cc2cc(C)ccc2OC)C1 ZINC001044037834 1019641321 /nfs/dbraw/zinc/64/13/21/1019641321.db2.gz PDCCNXQJSNLUTO-ICSRJNTNSA-N 1 2 358.482 2.627 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2=CCOCC2)C3)c(F)c1 ZINC001095968355 1019645253 /nfs/dbraw/zinc/64/52/53/1019645253.db2.gz UMGYGSIZAXYQKU-HOJAQTOUSA-N 1 2 369.440 2.656 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2=CCOCC2)C3)c(F)c1 ZINC001095968355 1019645261 /nfs/dbraw/zinc/64/52/61/1019645261.db2.gz UMGYGSIZAXYQKU-HOJAQTOUSA-N 1 2 369.440 2.656 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)c1 ZINC001095988185 1019698189 /nfs/dbraw/zinc/69/81/89/1019698189.db2.gz YHKMTMDDEZGOIT-MNEFBYGVSA-N 1 2 362.458 2.531 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)c1 ZINC001095988185 1019698196 /nfs/dbraw/zinc/69/81/96/1019698196.db2.gz YHKMTMDDEZGOIT-MNEFBYGVSA-N 1 2 362.458 2.531 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)c1 ZINC001095988132 1019698760 /nfs/dbraw/zinc/69/87/60/1019698760.db2.gz VQLMEKKUFZKGGY-FSSWDIPSSA-N 1 2 373.431 2.589 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)c1 ZINC001095988132 1019698767 /nfs/dbraw/zinc/69/87/67/1019698767.db2.gz VQLMEKKUFZKGGY-FSSWDIPSSA-N 1 2 373.431 2.589 20 30 FFEDLO C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)CCCOC1 ZINC001098116834 1019881332 /nfs/dbraw/zinc/88/13/32/1019881332.db2.gz VVBWORUYASWYLZ-RBAQFSTRSA-N 1 2 371.456 2.736 20 30 FFEDLO C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)CCCOC1 ZINC001098116834 1019881339 /nfs/dbraw/zinc/88/13/39/1019881339.db2.gz VVBWORUYASWYLZ-RBAQFSTRSA-N 1 2 371.456 2.736 20 30 FFEDLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)CCCOC1 ZINC001098116855 1019882243 /nfs/dbraw/zinc/88/22/43/1019882243.db2.gz WNXOXUJEFCVJNC-RDPOXOKHSA-N 1 2 371.456 2.736 20 30 FFEDLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)CCCOC1 ZINC001098116855 1019882248 /nfs/dbraw/zinc/88/22/48/1019882248.db2.gz WNXOXUJEFCVJNC-RDPOXOKHSA-N 1 2 371.456 2.736 20 30 FFEDLO C=CCCC(=O)N1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)cc2C1 ZINC001070318366 1019924308 /nfs/dbraw/zinc/92/43/08/1019924308.db2.gz PXLMBUWFGHMJNV-QZTJIDSGSA-N 1 2 364.449 2.638 20 30 FFEDLO C=CCCC(=O)N1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)cc2C1 ZINC001070318366 1019924321 /nfs/dbraw/zinc/92/43/21/1019924321.db2.gz PXLMBUWFGHMJNV-QZTJIDSGSA-N 1 2 364.449 2.638 20 30 FFEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1Nc1cccc(F)c1C#N ZINC001045548329 1020019497 /nfs/dbraw/zinc/01/94/97/1020019497.db2.gz SPVXALRBWFUSOP-IAGOWNOFSA-N 1 2 355.417 2.811 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1F ZINC001096034818 1020023312 /nfs/dbraw/zinc/02/33/12/1020023312.db2.gz XCGWRUTZXZRHIS-PTGCCPEKSA-N 1 2 362.420 2.777 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1F ZINC001096034818 1020023326 /nfs/dbraw/zinc/02/33/26/1020023326.db2.gz XCGWRUTZXZRHIS-PTGCCPEKSA-N 1 2 362.420 2.777 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001045563266 1020029247 /nfs/dbraw/zinc/02/92/47/1020029247.db2.gz DDTIPUXETVZPKV-CVEARBPZSA-N 1 2 361.486 2.860 20 30 FFEDLO COc1ccc(CN2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c(C#N)c1 ZINC001137701006 1032879852 /nfs/dbraw/zinc/87/98/52/1032879852.db2.gz IHZFHXFISQQWGT-QGZVFWFLSA-N 1 2 366.465 2.822 20 30 FFEDLO Cc1ccc(C#N)c(NC[C@@H]2C[C@H](C)CCN2C(=O)CCc2c[nH]c[nH+]2)n1 ZINC001048386418 1020189478 /nfs/dbraw/zinc/18/94/78/1020189478.db2.gz BPYGHYHJZDKVFV-KDOFPFPSSA-N 1 2 366.469 2.657 20 30 FFEDLO Cc1ccc(C#N)c(NC[C@@H]2C[C@H](C)CCN2C(=O)CCc2c[nH+]c[nH]2)n1 ZINC001048386418 1020189490 /nfs/dbraw/zinc/18/94/90/1020189490.db2.gz BPYGHYHJZDKVFV-KDOFPFPSSA-N 1 2 366.469 2.657 20 30 FFEDLO CC(C)C#CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccccc3OC(C)C)C[C@@H]21 ZINC001217844398 1032884051 /nfs/dbraw/zinc/88/40/51/1032884051.db2.gz WCEUKCSGBGYXMW-PZJWPPBQSA-N 1 2 370.493 2.545 20 30 FFEDLO CC(C)C#CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccccc3OC(C)C)C[C@@H]21 ZINC001217844398 1032884066 /nfs/dbraw/zinc/88/40/66/1032884066.db2.gz WCEUKCSGBGYXMW-PZJWPPBQSA-N 1 2 370.493 2.545 20 30 FFEDLO Cc1cc(C)cc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000725791937 1020259236 /nfs/dbraw/zinc/25/92/36/1020259236.db2.gz AKYUEBXLZIVQAD-UHFFFAOYSA-N 1 2 353.466 2.973 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)nn(CC)c1C)C2 ZINC001096371476 1020271081 /nfs/dbraw/zinc/27/10/81/1020271081.db2.gz ISGULSYUWPLMJL-PVAVHDDUSA-N 1 2 350.894 2.536 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)nn(CC)c1C)C2 ZINC001096371476 1020271090 /nfs/dbraw/zinc/27/10/90/1020271090.db2.gz ISGULSYUWPLMJL-PVAVHDDUSA-N 1 2 350.894 2.536 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC001048616698 1020363727 /nfs/dbraw/zinc/36/37/27/1020363727.db2.gz LEWWXLHOIQMNIB-DOTOQJQBSA-N 1 2 366.469 2.896 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC001046327017 1020588834 /nfs/dbraw/zinc/58/88/34/1020588834.db2.gz DBNQBGUUDKZGFN-UWVAXJGDSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC001046327017 1020588840 /nfs/dbraw/zinc/58/88/40/1020588840.db2.gz DBNQBGUUDKZGFN-UWVAXJGDSA-N 1 2 359.470 2.614 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@](C)(NC(=O)[C@@H]3C[C@H]3CCC)C2)c1 ZINC001046606913 1020715148 /nfs/dbraw/zinc/71/51/48/1020715148.db2.gz LGYBEQDBEBIVGZ-JUXOCIIHSA-N 1 2 367.493 2.623 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@](C)(NC(=O)[C@@H]3C[C@H]3CCC)C2)c1 ZINC001046606913 1020715157 /nfs/dbraw/zinc/71/51/57/1020715157.db2.gz LGYBEQDBEBIVGZ-JUXOCIIHSA-N 1 2 367.493 2.623 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001098286494 1020793774 /nfs/dbraw/zinc/79/37/74/1020793774.db2.gz IBNKCEBJJKTIHG-NJYVYQBISA-N 1 2 363.436 2.666 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001098286494 1020793781 /nfs/dbraw/zinc/79/37/81/1020793781.db2.gz IBNKCEBJJKTIHG-NJYVYQBISA-N 1 2 363.436 2.666 20 30 FFEDLO N#Cc1cccc(C[NH+]2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)c1F ZINC000932511787 1020821755 /nfs/dbraw/zinc/82/17/55/1020821755.db2.gz KLYGYZHEXSJGBH-UHFFFAOYSA-N 1 2 351.385 2.601 20 30 FFEDLO COc1ncc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1C#N ZINC000932512816 1020822191 /nfs/dbraw/zinc/82/21/91/1020822191.db2.gz BZDNFBOPBAWLKV-UHFFFAOYSA-N 1 2 368.441 2.883 20 30 FFEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)c1 ZINC000932515848 1020823392 /nfs/dbraw/zinc/82/33/92/1020823392.db2.gz OGWGNRXCNCFAKP-UHFFFAOYSA-N 1 2 351.385 2.601 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)c(F)c1 ZINC000932515776 1020823582 /nfs/dbraw/zinc/82/35/82/1020823582.db2.gz NKGCGJXLHCDQPR-UHFFFAOYSA-N 1 2 351.385 2.601 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2CC[N@H+](Cc3cnn(-c4ccccc4)n3)[C@H]2C1 ZINC001222398397 1032942974 /nfs/dbraw/zinc/94/29/74/1032942974.db2.gz XJHRDKZDHTUXJI-XLIONFOSSA-N 1 2 365.481 2.656 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cnn(-c4ccccc4)n3)[C@H]2C1 ZINC001222398397 1032942985 /nfs/dbraw/zinc/94/29/85/1032942985.db2.gz XJHRDKZDHTUXJI-XLIONFOSSA-N 1 2 365.481 2.656 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc2cccc(=O)[nH]2)cc1 ZINC000933398827 1021006218 /nfs/dbraw/zinc/00/62/18/1021006218.db2.gz QTMZDQQIBRFXCJ-INIZCTEOSA-N 1 2 352.438 2.863 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc2cccc(=O)[nH]2)cc1 ZINC000933398827 1021006222 /nfs/dbraw/zinc/00/62/22/1021006222.db2.gz QTMZDQQIBRFXCJ-INIZCTEOSA-N 1 2 352.438 2.863 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@H+](C[C@H]3CN(c4ccccc4)CCO3)CCO2)cc1 ZINC000933631093 1021055096 /nfs/dbraw/zinc/05/50/96/1021055096.db2.gz ZWXUZXHMDOKRQR-VXKWHMMOSA-N 1 2 363.461 2.837 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@@H+](C[C@H]3CN(c4ccccc4)CCO3)CCO2)cc1 ZINC000933631093 1021055101 /nfs/dbraw/zinc/05/51/01/1021055101.db2.gz ZWXUZXHMDOKRQR-VXKWHMMOSA-N 1 2 363.461 2.837 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000749844788 1021055264 /nfs/dbraw/zinc/05/52/64/1021055264.db2.gz NPPRCIGHKNWNQZ-RHSMWYFYSA-N 1 2 372.469 2.826 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000749844788 1021055271 /nfs/dbraw/zinc/05/52/71/1021055271.db2.gz NPPRCIGHKNWNQZ-RHSMWYFYSA-N 1 2 372.469 2.826 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCOC[C@H]1C[C@H]1CCOC1)c1ccccc1 ZINC000933678167 1021068120 /nfs/dbraw/zinc/06/81/20/1021068120.db2.gz YNLZMGZILHUYPI-HMXCVIKNSA-N 1 2 356.466 2.554 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCOC[C@H]1C[C@H]1CCOC1)c1ccccc1 ZINC000933678167 1021068126 /nfs/dbraw/zinc/06/81/26/1021068126.db2.gz YNLZMGZILHUYPI-HMXCVIKNSA-N 1 2 356.466 2.554 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)nc2)C1 ZINC001098726929 1021081649 /nfs/dbraw/zinc/08/16/49/1021081649.db2.gz KTHCZUFXHGGPCI-RDJZCZTQSA-N 1 2 364.287 2.883 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)nc2)C1 ZINC001098726929 1021081657 /nfs/dbraw/zinc/08/16/57/1021081657.db2.gz KTHCZUFXHGGPCI-RDJZCZTQSA-N 1 2 364.287 2.883 20 30 FFEDLO COc1ccc(CNC(=O)[C@@H](C)[N@H+](C)Cc2cc(C#N)cs2)cc1OC ZINC000933778725 1021088882 /nfs/dbraw/zinc/08/88/82/1021088882.db2.gz RFWIXQYKWWKURC-CYBMUJFWSA-N 1 2 373.478 2.774 20 30 FFEDLO COc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)Cc2cc(C#N)cs2)cc1OC ZINC000933778725 1021088890 /nfs/dbraw/zinc/08/88/90/1021088890.db2.gz RFWIXQYKWWKURC-CYBMUJFWSA-N 1 2 373.478 2.774 20 30 FFEDLO Cn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001098733048 1021090399 /nfs/dbraw/zinc/09/03/99/1021090399.db2.gz UJPJDMDQCLPGTR-UWJYYQICSA-N 1 2 366.440 2.820 20 30 FFEDLO Cn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001098733048 1021090403 /nfs/dbraw/zinc/09/04/03/1021090403.db2.gz UJPJDMDQCLPGTR-UWJYYQICSA-N 1 2 366.440 2.820 20 30 FFEDLO COc1cnc([C@H]2CCC[N@@H+]2CCCOc2cccc(C#N)c2)[nH]c1=O ZINC000934275158 1021182036 /nfs/dbraw/zinc/18/20/36/1021182036.db2.gz YSZSMHUTIOWFJV-MRXNPFEDSA-N 1 2 354.410 2.668 20 30 FFEDLO COc1cnc([C@H]2CCC[N@H+]2CCCOc2cccc(C#N)c2)[nH]c1=O ZINC000934275158 1021182042 /nfs/dbraw/zinc/18/20/42/1021182042.db2.gz YSZSMHUTIOWFJV-MRXNPFEDSA-N 1 2 354.410 2.668 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934494739 1021260886 /nfs/dbraw/zinc/26/08/86/1021260886.db2.gz PGXHBUUIHZNJBX-QAPCUYQASA-N 1 2 361.449 2.765 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934494739 1021260893 /nfs/dbraw/zinc/26/08/93/1021260893.db2.gz PGXHBUUIHZNJBX-QAPCUYQASA-N 1 2 361.449 2.765 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001098880669 1021305179 /nfs/dbraw/zinc/30/51/79/1021305179.db2.gz RHKDLEDAMKFGRF-AESZEHBQSA-N 1 2 371.319 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001098880669 1021305194 /nfs/dbraw/zinc/30/51/94/1021305194.db2.gz RHKDLEDAMKFGRF-AESZEHBQSA-N 1 2 371.319 2.681 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)c3nccs3)C2)c1 ZINC001099094003 1021774220 /nfs/dbraw/zinc/77/42/20/1021774220.db2.gz PWBWNXJETXNQQH-KXBFYZLASA-N 1 2 370.453 2.938 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)c3nccs3)C2)c1 ZINC001099094003 1021774237 /nfs/dbraw/zinc/77/42/37/1021774237.db2.gz PWBWNXJETXNQQH-KXBFYZLASA-N 1 2 370.453 2.938 20 30 FFEDLO COCc1nc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cs1 ZINC001117670871 1021807261 /nfs/dbraw/zinc/80/72/61/1021807261.db2.gz OPBSSPNAUJPRIB-UHFFFAOYSA-N 1 2 368.466 2.751 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nccn2C)C1 ZINC001099302271 1022258976 /nfs/dbraw/zinc/25/89/76/1022258976.db2.gz NIVLTFODZKYKSS-IOASZLSFSA-N 1 2 358.408 2.501 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C(C)(C)C)o3)[C@H]2C1 ZINC001222598033 1033060766 /nfs/dbraw/zinc/06/07/66/1033060766.db2.gz CDWUQFOOXWMXLH-CVEARBPZSA-N 1 2 358.486 2.593 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C(C)(C)C)o3)[C@H]2C1 ZINC001222598033 1033060782 /nfs/dbraw/zinc/06/07/82/1033060782.db2.gz CDWUQFOOXWMXLH-CVEARBPZSA-N 1 2 358.486 2.593 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1C#N ZINC001038277934 1022650526 /nfs/dbraw/zinc/65/05/26/1022650526.db2.gz ZXSVLMKSYSQGPD-MCYKXBRJSA-N 1 2 365.477 2.860 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1C#N ZINC001038277934 1022650528 /nfs/dbraw/zinc/65/05/28/1022650528.db2.gz ZXSVLMKSYSQGPD-MCYKXBRJSA-N 1 2 365.477 2.860 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]13CCC[C@H]1OCC3)C2 ZINC001095747297 1022709966 /nfs/dbraw/zinc/70/99/66/1022709966.db2.gz FIWAPNFTLIJVPJ-QWPXSNKBSA-N 1 2 365.477 2.739 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]13CCC[C@H]1OCC3)C2 ZINC001095747297 1022709980 /nfs/dbraw/zinc/70/99/80/1022709980.db2.gz FIWAPNFTLIJVPJ-QWPXSNKBSA-N 1 2 365.477 2.739 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc([C@@H](C)CC)cc1)C2 ZINC001111476081 1022765221 /nfs/dbraw/zinc/76/52/21/1022765221.db2.gz RARZAZBZTIYPLF-OBZTUIKSSA-N 1 2 369.509 2.837 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc([C@@H](C)CC)cc1)C2 ZINC001111476081 1022765226 /nfs/dbraw/zinc/76/52/26/1022765226.db2.gz RARZAZBZTIYPLF-OBZTUIKSSA-N 1 2 369.509 2.837 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001039655163 1022774244 /nfs/dbraw/zinc/77/42/44/1022774244.db2.gz NQNGPQQDLSCCQJ-CGXNFDGLSA-N 1 2 367.493 2.939 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC001039655163 1022774254 /nfs/dbraw/zinc/77/42/54/1022774254.db2.gz NQNGPQQDLSCCQJ-CGXNFDGLSA-N 1 2 367.493 2.939 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCOC2CCCCC2)CC1=O ZINC000752720151 1023196145 /nfs/dbraw/zinc/19/61/45/1023196145.db2.gz ZYWWSRRMLLILSM-UHFFFAOYSA-N 1 2 368.481 2.995 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000752756699 1023200171 /nfs/dbraw/zinc/20/01/71/1023200171.db2.gz UEKHIPOVCRFMPW-UHFFFAOYSA-N 1 2 369.425 2.997 20 30 FFEDLO C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC[N@@H+]2C)n1CCOC ZINC001122344287 1023204880 /nfs/dbraw/zinc/20/48/80/1023204880.db2.gz GOVDYLZJUXQOFW-KRWDZBQOSA-N 1 2 359.474 2.519 20 30 FFEDLO C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC[N@H+]2C)n1CCOC ZINC001122344287 1023204886 /nfs/dbraw/zinc/20/48/86/1023204886.db2.gz GOVDYLZJUXQOFW-KRWDZBQOSA-N 1 2 359.474 2.519 20 30 FFEDLO CC[C@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CCOC)C1 ZINC001122345960 1023206635 /nfs/dbraw/zinc/20/66/35/1023206635.db2.gz ZQOHSDFATGIJIY-KRWDZBQOSA-N 1 2 374.533 2.644 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C)C3(CCC3)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001122396234 1023241349 /nfs/dbraw/zinc/24/13/49/1023241349.db2.gz YQBQVKANRMPRHZ-QKLQHJQFSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C)C3(CCC3)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001122396234 1023241358 /nfs/dbraw/zinc/24/13/58/1023241358.db2.gz YQBQVKANRMPRHZ-QKLQHJQFSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC001122441467 1023270169 /nfs/dbraw/zinc/27/01/69/1023270169.db2.gz SKWDFHSRZFRLSH-HZMVEIRTSA-N 1 2 359.518 2.607 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC001122441467 1023270170 /nfs/dbraw/zinc/27/01/70/1023270170.db2.gz SKWDFHSRZFRLSH-HZMVEIRTSA-N 1 2 359.518 2.607 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001122479468 1023295900 /nfs/dbraw/zinc/29/59/00/1023295900.db2.gz UELKAXUBAZQXES-IAGOWNOFSA-N 1 2 361.534 2.541 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001122490834 1023302481 /nfs/dbraw/zinc/30/24/81/1023302481.db2.gz VOWKMVZHBGOZIR-ZDUSSCGKSA-N 1 2 350.417 2.803 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](c2noc(C)n2)C1 ZINC001122536586 1023326469 /nfs/dbraw/zinc/32/64/69/1023326469.db2.gz HKWSBFKEOMSHAC-JKSUJKDBSA-N 1 2 371.489 2.696 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](c2noc(C)n2)C1 ZINC001122536586 1023326473 /nfs/dbraw/zinc/32/64/73/1023326473.db2.gz HKWSBFKEOMSHAC-JKSUJKDBSA-N 1 2 371.489 2.696 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001122625319 1023375850 /nfs/dbraw/zinc/37/58/50/1023375850.db2.gz FJJRRTUWIFWJBK-ZWKOTPCHSA-N 1 2 359.518 2.845 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N(C)CCc1nccs1 ZINC001122626314 1023376568 /nfs/dbraw/zinc/37/65/68/1023376568.db2.gz RGFALGLMDNUNOM-UHFFFAOYSA-N 1 2 360.531 2.976 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(C#N)CC1 ZINC001122626712 1023377159 /nfs/dbraw/zinc/37/71/59/1023377159.db2.gz AMZATIPXKYMADX-MSOLQXFVSA-N 1 2 370.501 2.520 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(C#N)CC1 ZINC001122626712 1023377165 /nfs/dbraw/zinc/37/71/65/1023377165.db2.gz AMZATIPXKYMADX-MSOLQXFVSA-N 1 2 370.501 2.520 20 30 FFEDLO N#CC[C@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2C[C@H]2CCCO2)C1 ZINC001122835141 1023503962 /nfs/dbraw/zinc/50/39/62/1023503962.db2.gz JPUKLDBCKQAXNJ-QZTJIDSGSA-N 1 2 372.517 2.573 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCCO1 ZINC001123159788 1023662484 /nfs/dbraw/zinc/66/24/84/1023662484.db2.gz ZWQJBPLTWZCCKI-MBOZVWFJSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCCO1 ZINC001123159788 1023662488 /nfs/dbraw/zinc/66/24/88/1023662488.db2.gz ZWQJBPLTWZCCKI-MBOZVWFJSA-N 1 2 372.517 2.744 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC001121323675 1023708475 /nfs/dbraw/zinc/70/84/75/1023708475.db2.gz DCSKAXKKADGPLR-IIMDRIAPSA-N 1 2 368.529 2.781 20 30 FFEDLO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)[N@H+](C)Cc3ccccc3)n2C)C1 ZINC001121420135 1023763812 /nfs/dbraw/zinc/76/38/12/1023763812.db2.gz QWVSRAUVXHUUIX-SJLPKXTDSA-N 1 2 355.486 2.789 20 30 FFEDLO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)[N@@H+](C)Cc3ccccc3)n2C)C1 ZINC001121420135 1023763817 /nfs/dbraw/zinc/76/38/17/1023763817.db2.gz QWVSRAUVXHUUIX-SJLPKXTDSA-N 1 2 355.486 2.789 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@H+](Cc3cn(C(C)(C)C)nn3)[C@H]2C1 ZINC001222789873 1033160846 /nfs/dbraw/zinc/16/08/46/1033160846.db2.gz PZHPHFONNCCGTB-AEFFLSMTSA-N 1 2 359.518 2.812 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(C(C)(C)C)nn3)[C@H]2C1 ZINC001222789873 1033160852 /nfs/dbraw/zinc/16/08/52/1033160852.db2.gz PZHPHFONNCCGTB-AEFFLSMTSA-N 1 2 359.518 2.812 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(C)(=O)=O ZINC001111313558 1023817721 /nfs/dbraw/zinc/81/77/21/1023817721.db2.gz KADFHKJKPUVXJF-KURKYZTESA-N 1 2 372.575 2.893 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(C)(=O)=O ZINC001111313558 1023817725 /nfs/dbraw/zinc/81/77/25/1023817725.db2.gz KADFHKJKPUVXJF-KURKYZTESA-N 1 2 372.575 2.893 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@H](C2CCC2)C1 ZINC001121533062 1023831867 /nfs/dbraw/zinc/83/18/67/1023831867.db2.gz OUNKPNHHNOYEDB-IBGZPJMESA-N 1 2 373.545 2.685 20 30 FFEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)cc1 ZINC000950635269 1023886989 /nfs/dbraw/zinc/88/69/89/1023886989.db2.gz OWKTUEVBLPVYFA-RTBURBONSA-N 1 2 365.433 2.630 20 30 FFEDLO C=CCn1c(N(C)c2cc(C)cc(C)c2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121709283 1023939353 /nfs/dbraw/zinc/93/93/53/1023939353.db2.gz SECUTDSJVKDUGJ-YLJYHZDGSA-N 1 2 355.486 2.760 20 30 FFEDLO C=CCn1c(N(C)c2cc(C)cc(C)c2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121709283 1023939354 /nfs/dbraw/zinc/93/93/54/1023939354.db2.gz SECUTDSJVKDUGJ-YLJYHZDGSA-N 1 2 355.486 2.760 20 30 FFEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@@](CC)(C2CC2)C1=O ZINC000758197466 1023956003 /nfs/dbraw/zinc/95/60/03/1023956003.db2.gz QSDAPOBSFQQLOW-FQEVSTJZSA-N 1 2 354.454 2.838 20 30 FFEDLO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@@](CC)(C2CC2)C1=O ZINC000758197466 1023956009 /nfs/dbraw/zinc/95/60/09/1023956009.db2.gz QSDAPOBSFQQLOW-FQEVSTJZSA-N 1 2 354.454 2.838 20 30 FFEDLO Cc1cccnc1[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001123747993 1023990549 /nfs/dbraw/zinc/99/05/49/1023990549.db2.gz ZRQJERKZCOBHBU-QGZVFWFLSA-N 1 2 363.465 2.850 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC)C1 ZINC001121799852 1024037378 /nfs/dbraw/zinc/03/73/78/1024037378.db2.gz BMKOGBMAYXXUTQ-KRWDZBQOSA-N 1 2 354.502 2.631 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CCc1nccs1 ZINC001121802421 1024040184 /nfs/dbraw/zinc/04/01/84/1024040184.db2.gz XUEMKPQPKZCWOF-UHFFFAOYSA-N 1 2 373.530 2.526 20 30 FFEDLO CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(CCC#N)CCC(C)C ZINC001121804106 1024044376 /nfs/dbraw/zinc/04/43/76/1024044376.db2.gz OHWHZHNADMORIF-QZTJIDSGSA-N 1 2 374.533 2.990 20 30 FFEDLO CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(CCC#N)CCC(C)C ZINC001121804106 1024044390 /nfs/dbraw/zinc/04/43/90/1024044390.db2.gz OHWHZHNADMORIF-QZTJIDSGSA-N 1 2 374.533 2.990 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)nc3onc(C)c31)C2 ZINC001095833113 1024203732 /nfs/dbraw/zinc/20/37/32/1024203732.db2.gz SZJDBVMIPVRVLI-SNPRPXQTSA-N 1 2 360.845 2.927 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)nc3onc(C)c31)C2 ZINC001095833113 1024203764 /nfs/dbraw/zinc/20/37/64/1024203764.db2.gz SZJDBVMIPVRVLI-SNPRPXQTSA-N 1 2 360.845 2.927 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nc(C5CC5)no4)C[C@@]3(C)C2)CCC1 ZINC001101355195 1024534106 /nfs/dbraw/zinc/53/41/06/1024534106.db2.gz RVPZLLXTOZBKEQ-UZLBHIALSA-N 1 2 370.497 2.974 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nc(C5CC5)no4)C[C@@]3(C)C2)CCC1 ZINC001101355195 1024534118 /nfs/dbraw/zinc/53/41/18/1024534118.db2.gz RVPZLLXTOZBKEQ-UZLBHIALSA-N 1 2 370.497 2.974 20 30 FFEDLO C=CC[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3cnon3)C[C@@]2(C)C1)c1ccccc1 ZINC001101469302 1024819999 /nfs/dbraw/zinc/81/99/99/1024819999.db2.gz KNURBDKEIKSTTD-LMNJBCLMSA-N 1 2 366.465 2.710 20 30 FFEDLO C=CC[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3cnon3)C[C@@]2(C)C1)c1ccccc1 ZINC001101469302 1024820022 /nfs/dbraw/zinc/82/00/22/1024820022.db2.gz KNURBDKEIKSTTD-LMNJBCLMSA-N 1 2 366.465 2.710 20 30 FFEDLO N#Cc1cc(F)ccc1CN1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001141165912 1025551984 /nfs/dbraw/zinc/55/19/84/1025551984.db2.gz PFFKOUCIEYQKEA-MRXNPFEDSA-N 1 2 354.429 2.952 20 30 FFEDLO Cc1cc(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)ncc1C#N ZINC000837436308 1025806033 /nfs/dbraw/zinc/80/60/33/1025806033.db2.gz SFIPMRQKEVBGQQ-UHFFFAOYSA-N 1 2 363.465 2.727 20 30 FFEDLO COc1cc(Cl)ncc1C[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001141341667 1025960784 /nfs/dbraw/zinc/96/07/84/1025960784.db2.gz LDBVWUJESAWZCV-UHFFFAOYSA-N 1 2 357.845 2.723 20 30 FFEDLO COc1cc(Cl)ncc1C[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001141341667 1025960801 /nfs/dbraw/zinc/96/08/01/1025960801.db2.gz LDBVWUJESAWZCV-UHFFFAOYSA-N 1 2 357.845 2.723 20 30 FFEDLO CCCCCCCCCC(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001102527098 1026225906 /nfs/dbraw/zinc/22/59/06/1026225906.db2.gz GZAHBZWLBCTUIP-IAGOWNOFSA-N 1 2 364.538 2.535 20 30 FFEDLO CCCCCCCCCC(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001102527098 1026225919 /nfs/dbraw/zinc/22/59/19/1026225919.db2.gz GZAHBZWLBCTUIP-IAGOWNOFSA-N 1 2 364.538 2.535 20 30 FFEDLO CCCN1C(=O)CC[C@@H](C(=O)O[C@@H]2CCC[C@H](C#N)C2)[C@@H]1c1c[nH+]cn1C ZINC000839058252 1026574124 /nfs/dbraw/zinc/57/41/24/1026574124.db2.gz JQHBHDXHNHQNAT-WFXMFSGNSA-N 1 2 372.469 2.735 20 30 FFEDLO C#C[C@H]1COCCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000839070060 1026575571 /nfs/dbraw/zinc/57/55/71/1026575571.db2.gz IDGXOICFBBRCGL-KRWDZBQOSA-N 1 2 350.422 2.752 20 30 FFEDLO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(C#N)ccc2Br)C1 ZINC001141664575 1026782715 /nfs/dbraw/zinc/78/27/15/1026782715.db2.gz RCBOBYWMHXAJDU-OAHLLOKOSA-N 1 2 350.260 2.763 20 30 FFEDLO CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2Br)C1 ZINC001141664575 1026782722 /nfs/dbraw/zinc/78/27/22/1026782722.db2.gz RCBOBYWMHXAJDU-OAHLLOKOSA-N 1 2 350.260 2.763 20 30 FFEDLO N#Cc1c(F)ccnc1N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001158586538 1027069738 /nfs/dbraw/zinc/06/97/38/1027069738.db2.gz QJGQIRCAPKTWAU-CRAIPNDOSA-N 1 2 368.412 2.963 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCCN(c2cc(C)c(C(=O)OCC)c(C)[nH+]2)C1 ZINC001158911998 1027188086 /nfs/dbraw/zinc/18/80/86/1027188086.db2.gz XLVLLCYXOQMMOG-OAHLLOKOSA-N 1 2 361.442 2.756 20 30 FFEDLO COc1ccnc(O[C@H]2CCC[N@H+](Cc3ccc(C#N)c(SC)n3)C2)n1 ZINC001141945556 1027198356 /nfs/dbraw/zinc/19/83/56/1027198356.db2.gz DESMLYDVIXGWFN-HNNXBMFYSA-N 1 2 371.466 2.517 20 30 FFEDLO COc1ccnc(O[C@H]2CCC[N@@H+](Cc3ccc(C#N)c(SC)n3)C2)n1 ZINC001141945556 1027198366 /nfs/dbraw/zinc/19/83/66/1027198366.db2.gz DESMLYDVIXGWFN-HNNXBMFYSA-N 1 2 371.466 2.517 20 30 FFEDLO C[C@@](CNc1cccc(F)c1C#N)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001103585128 1027729734 /nfs/dbraw/zinc/72/97/34/1027729734.db2.gz QKPKZVSRLPFWFZ-JZKQVHKSSA-N 1 2 367.428 2.921 20 30 FFEDLO C[C@@](CNc1cccc(F)c1C#N)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001103585128 1027729752 /nfs/dbraw/zinc/72/97/52/1027729752.db2.gz QKPKZVSRLPFWFZ-JZKQVHKSSA-N 1 2 367.428 2.921 20 30 FFEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001153424972 1027875951 /nfs/dbraw/zinc/87/59/51/1027875951.db2.gz SUBABJPYGSFBSQ-ILXRZTDVSA-N 1 2 361.324 2.783 20 30 FFEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001153424972 1027875958 /nfs/dbraw/zinc/87/59/58/1027875958.db2.gz SUBABJPYGSFBSQ-ILXRZTDVSA-N 1 2 361.324 2.783 20 30 FFEDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000796161479 1028627869 /nfs/dbraw/zinc/62/78/69/1028627869.db2.gz SPOUQAPMTNQRJP-MRXNPFEDSA-N 1 2 369.425 2.709 20 30 FFEDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000796161479 1028627878 /nfs/dbraw/zinc/62/78/78/1028627878.db2.gz SPOUQAPMTNQRJP-MRXNPFEDSA-N 1 2 369.425 2.709 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccccc1F)C2 ZINC001111648705 1029043665 /nfs/dbraw/zinc/04/36/65/1029043665.db2.gz KVYUEZMBJSSBNS-YWZLYKJASA-N 1 2 359.445 2.701 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)Nc1ccccc1F)C2 ZINC001111648705 1029043678 /nfs/dbraw/zinc/04/36/78/1029043678.db2.gz KVYUEZMBJSSBNS-YWZLYKJASA-N 1 2 359.445 2.701 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(Br)c2)C[C@H]1C ZINC001206660159 1029070697 /nfs/dbraw/zinc/07/06/97/1029070697.db2.gz YRJQOOYVXFTVEQ-UEKVPHQBSA-N 1 2 368.250 2.684 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(Br)c2)C[C@H]1C ZINC001206660159 1029070679 /nfs/dbraw/zinc/07/06/79/1029070679.db2.gz YRJQOOYVXFTVEQ-UEKVPHQBSA-N 1 2 368.250 2.684 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)C[NH2+]1 ZINC001164308359 1029239127 /nfs/dbraw/zinc/23/91/27/1029239127.db2.gz GNCZUPJGHMBZGO-WHFBIAKZSA-N 1 2 360.229 2.577 20 30 FFEDLO N#Cc1cc(Br)ccc1C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001156897885 1029396699 /nfs/dbraw/zinc/39/66/99/1029396699.db2.gz YJTCWAYAQAXZEC-UHFFFAOYSA-N 1 2 359.227 2.853 20 30 FFEDLO CC(C)(C)OC(=O)NC1(C)CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000781975892 1029506681 /nfs/dbraw/zinc/50/66/81/1029506681.db2.gz MFLQSNSDCTWFNY-UHFFFAOYSA-N 1 2 372.469 2.876 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)n1CC)C2 ZINC001111830557 1029577840 /nfs/dbraw/zinc/57/78/40/1029577840.db2.gz ITJMDRUOMGBTKZ-RXVVDRJESA-N 1 2 371.529 2.661 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)n1CC)C2 ZINC001111830557 1029577847 /nfs/dbraw/zinc/57/78/47/1029577847.db2.gz ITJMDRUOMGBTKZ-RXVVDRJESA-N 1 2 371.529 2.661 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)n1C1CC1)C2 ZINC001111848646 1029613079 /nfs/dbraw/zinc/61/30/79/1029613079.db2.gz NVVKVDNJQZDQCJ-KUDFPVQQSA-N 1 2 371.529 2.994 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)n1C1CC1)C2 ZINC001111848646 1029613083 /nfs/dbraw/zinc/61/30/83/1029613083.db2.gz NVVKVDNJQZDQCJ-KUDFPVQQSA-N 1 2 371.529 2.994 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1C(C)C)C2 ZINC001111850581 1029615633 /nfs/dbraw/zinc/61/56/33/1029615633.db2.gz OVWKFNJAGXHRRX-ZWOKBUDYSA-N 1 2 359.518 2.932 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1C(C)C)C2 ZINC001111850581 1029615636 /nfs/dbraw/zinc/61/56/36/1029615636.db2.gz OVWKFNJAGXHRRX-ZWOKBUDYSA-N 1 2 359.518 2.932 20 30 FFEDLO Cc1ccc([C@@H](C#N)c2ccc(N[C@@H]3CCC[N@@H+](C4COC4)C3)nn2)cc1 ZINC001157580663 1029622253 /nfs/dbraw/zinc/62/22/53/1029622253.db2.gz BYCJJNGAYKMOCL-IEBWSBKVSA-N 1 2 363.465 2.716 20 30 FFEDLO Cc1ccc([C@@H](C#N)c2ccc(N[C@@H]3CCC[N@H+](C4COC4)C3)nn2)cc1 ZINC001157580663 1029622257 /nfs/dbraw/zinc/62/22/57/1029622257.db2.gz BYCJJNGAYKMOCL-IEBWSBKVSA-N 1 2 363.465 2.716 20 30 FFEDLO CC(C)(C)C#CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cscn2)C1 ZINC001112101039 1030004678 /nfs/dbraw/zinc/00/46/78/1030004678.db2.gz VNRFKDJQPYWZJP-CHWSQXEVSA-N 1 2 359.417 2.672 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccn(CC)n2)C1 ZINC001112110188 1030029001 /nfs/dbraw/zinc/02/90/01/1030029001.db2.gz CFOYJPFSPPFMCC-HUUCEWRRSA-N 1 2 358.408 2.738 20 30 FFEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1c1cc(Cl)cc(C#N)n1 ZINC001165652749 1030069022 /nfs/dbraw/zinc/06/90/22/1030069022.db2.gz PBJRETOWXLECNL-MRXNPFEDSA-N 1 2 372.860 2.624 20 30 FFEDLO C=C1CCC(C(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)CC1 ZINC001534402043 1069644447 /nfs/dbraw/zinc/64/44/47/1069644447.db2.gz DAMWSAXIZHFPPA-UHFFFAOYSA-N 1 2 358.482 2.965 20 30 FFEDLO N#Cc1cc(Cl)cnc1N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001165987296 1030191364 /nfs/dbraw/zinc/19/13/64/1030191364.db2.gz PCYGHAWUYNPIES-UHFFFAOYSA-N 1 2 369.856 2.877 20 30 FFEDLO N#Cc1ccc2cc[nH+]c(N3CCCn4cnc(Cn5cccn5)c4C3)c2c1 ZINC001166206426 1030300075 /nfs/dbraw/zinc/30/00/75/1030300075.db2.gz PDQNLOLLWJUBHT-UHFFFAOYSA-N 1 2 369.432 2.958 20 30 FFEDLO C=C[C@@H]1C[C@@]1(NC(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1)C(=O)OCC ZINC001142373781 1030370703 /nfs/dbraw/zinc/37/07/03/1030370703.db2.gz HRVGQOLYKDBZKS-KPIBZCQDSA-N 1 2 365.433 2.569 20 30 FFEDLO C[NH+](C)Cc1nc(CSCCNC(=O)C#Cc2ccccc2)cs1 ZINC001142862794 1030965790 /nfs/dbraw/zinc/96/57/90/1030965790.db2.gz UGEWKFRKMOSNOE-UHFFFAOYSA-N 1 2 359.520 2.606 20 30 FFEDLO COc1ccc(C[N@@H+]2CCC[C@]23CCN(CCCC#N)C3=O)c(F)c1F ZINC001276462707 1031273219 /nfs/dbraw/zinc/27/32/19/1031273219.db2.gz ROACFJHBYGNMPV-LJQANCHMSA-N 1 2 363.408 2.844 20 30 FFEDLO COc1ccc(C[N@H+]2CCC[C@]23CCN(CCCC#N)C3=O)c(F)c1F ZINC001276462707 1031273227 /nfs/dbraw/zinc/27/32/27/1031273227.db2.gz ROACFJHBYGNMPV-LJQANCHMSA-N 1 2 363.408 2.844 20 30 FFEDLO N#CC1(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)CCOCC1 ZINC000798130657 1031314296 /nfs/dbraw/zinc/31/42/96/1031314296.db2.gz XRJQBORASVSTKT-OAHLLOKOSA-N 1 2 356.470 2.751 20 30 FFEDLO N#CC1(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)CCOCC1 ZINC000798130657 1031314312 /nfs/dbraw/zinc/31/43/12/1031314312.db2.gz XRJQBORASVSTKT-OAHLLOKOSA-N 1 2 356.470 2.751 20 30 FFEDLO C#C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C)C(C)C ZINC000799386105 1031756688 /nfs/dbraw/zinc/75/66/88/1031756688.db2.gz PZTQSXDAPTXPLS-PKOBYXMFSA-N 1 2 357.498 2.959 20 30 FFEDLO C#C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C)C(C)C ZINC000799386105 1031756701 /nfs/dbraw/zinc/75/67/01/1031756701.db2.gz PZTQSXDAPTXPLS-PKOBYXMFSA-N 1 2 357.498 2.959 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]Cc2nncs2)C1 ZINC001205563563 1031837072 /nfs/dbraw/zinc/83/70/72/1031837072.db2.gz VZBDLTCRGJUZGX-GOEBONIOSA-N 1 2 360.458 2.728 20 30 FFEDLO CC(C)C[C@@H](C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218866358 1033385917 /nfs/dbraw/zinc/38/59/17/1033385917.db2.gz KXJFPOCTNCTHLZ-FHLIZLRMSA-N 1 2 361.511 2.714 20 30 FFEDLO CC(C)C[C@@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218866358 1033385926 /nfs/dbraw/zinc/38/59/26/1033385926.db2.gz KXJFPOCTNCTHLZ-FHLIZLRMSA-N 1 2 361.511 2.714 20 30 FFEDLO CC(C)C[C@@H](C)C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218867132 1033387208 /nfs/dbraw/zinc/38/72/08/1033387208.db2.gz WCXRNFQZINNUEZ-HLAWJBBLSA-N 1 2 354.494 2.632 20 30 FFEDLO CC(C)C[C@@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218867132 1033387217 /nfs/dbraw/zinc/38/72/17/1033387217.db2.gz WCXRNFQZINNUEZ-HLAWJBBLSA-N 1 2 354.494 2.632 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001223338764 1033403252 /nfs/dbraw/zinc/40/32/52/1033403252.db2.gz ZPSOCDGYIQXQFV-LMMKCTJWSA-N 1 2 359.518 2.632 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001223338764 1033403258 /nfs/dbraw/zinc/40/32/58/1033403258.db2.gz ZPSOCDGYIQXQFV-LMMKCTJWSA-N 1 2 359.518 2.632 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CCc2cccc(Cl)c2Cl)C[C@@H]1O ZINC001219539343 1033680140 /nfs/dbraw/zinc/68/01/40/1033680140.db2.gz HHWLWRYWEKHISX-CVEARBPZSA-N 1 2 369.292 2.501 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CCc2cccc(Cl)c2Cl)C[C@@H]1O ZINC001219539343 1033680147 /nfs/dbraw/zinc/68/01/47/1033680147.db2.gz HHWLWRYWEKHISX-CVEARBPZSA-N 1 2 369.292 2.501 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001219718589 1033786445 /nfs/dbraw/zinc/78/64/45/1033786445.db2.gz KHADUCTWMDWTRH-CVEARBPZSA-N 1 2 356.388 2.723 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001219718589 1033786458 /nfs/dbraw/zinc/78/64/58/1033786458.db2.gz KHADUCTWMDWTRH-CVEARBPZSA-N 1 2 356.388 2.723 20 30 FFEDLO Cc1sccc1C[NH+]1CC2(C1)COCC(=O)N2Cc1cccc(C#N)c1 ZINC001276982212 1033940475 /nfs/dbraw/zinc/94/04/75/1033940475.db2.gz LWFVXADGAATUOS-UHFFFAOYSA-N 1 2 367.474 2.542 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001220125216 1033993289 /nfs/dbraw/zinc/99/32/89/1033993289.db2.gz DINOLAOHWLBQBY-CVEARBPZSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001220125216 1033993299 /nfs/dbraw/zinc/99/32/99/1033993299.db2.gz DINOLAOHWLBQBY-CVEARBPZSA-N 1 2 370.415 2.969 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC001138248245 1034017144 /nfs/dbraw/zinc/01/71/44/1034017144.db2.gz YSNCPXROBCKNRA-CYBMUJFWSA-N 1 2 352.818 2.945 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC001138248245 1034017148 /nfs/dbraw/zinc/01/71/48/1034017148.db2.gz YSNCPXROBCKNRA-CYBMUJFWSA-N 1 2 352.818 2.945 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@@H]1O ZINC001220204057 1034047302 /nfs/dbraw/zinc/04/73/02/1034047302.db2.gz ZNDKSOCNKDQRSG-XWIAVFTESA-N 1 2 368.880 2.785 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)C[C@@H]1O ZINC001220204057 1034047312 /nfs/dbraw/zinc/04/73/12/1034047312.db2.gz ZNDKSOCNKDQRSG-XWIAVFTESA-N 1 2 368.880 2.785 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3nc4ccccc4o3)C[C@@H]2O)CCC1 ZINC001220293683 1034104066 /nfs/dbraw/zinc/10/40/66/1034104066.db2.gz QJQFSUOGCZTILX-UAGQMJEPSA-N 1 2 369.465 2.797 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3nc4ccccc4o3)C[C@@H]2O)CCC1 ZINC001220293683 1034104076 /nfs/dbraw/zinc/10/40/76/1034104076.db2.gz QJQFSUOGCZTILX-UAGQMJEPSA-N 1 2 369.465 2.797 20 30 FFEDLO CCCCCCCC(=O)c1ccc(O)c(C(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC001220431465 1034172491 /nfs/dbraw/zinc/17/24/91/1034172491.db2.gz HKLVNLMKAIHEQG-MRXNPFEDSA-N 1 2 362.470 2.654 20 30 FFEDLO C[C@@H](CC1CCCCC1)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220468378 1034195785 /nfs/dbraw/zinc/19/57/85/1034195785.db2.gz YWBMMCMAEOEXQI-BWAGFHJFSA-N 1 2 368.521 2.806 20 30 FFEDLO C[C@@H](CC1CCCCC1)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220468378 1034195793 /nfs/dbraw/zinc/19/57/93/1034195793.db2.gz YWBMMCMAEOEXQI-BWAGFHJFSA-N 1 2 368.521 2.806 20 30 FFEDLO CCCCCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220588652 1034271194 /nfs/dbraw/zinc/27/11/94/1034271194.db2.gz HINVLCJSNNDMNQ-NRSPTQNISA-N 1 2 356.510 2.806 20 30 FFEDLO CCCCCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220588652 1034271203 /nfs/dbraw/zinc/27/12/03/1034271203.db2.gz HINVLCJSNNDMNQ-NRSPTQNISA-N 1 2 356.510 2.806 20 30 FFEDLO C=CCN1C(=O)C[C@]2(CCC[N@H+](Cc3cc(Cl)c(O)cc3F)C2)C1=O ZINC001277057510 1034328720 /nfs/dbraw/zinc/32/87/20/1034328720.db2.gz SPUNJQSVNRQEER-SFHVURJKSA-N 1 2 366.820 2.712 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)cc1 ZINC001138560081 1034412562 /nfs/dbraw/zinc/41/25/62/1034412562.db2.gz GLHZXYUTNABHIO-SFHVURJKSA-N 1 2 374.481 2.502 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)cc1 ZINC001138560081 1034412564 /nfs/dbraw/zinc/41/25/64/1034412564.db2.gz GLHZXYUTNABHIO-SFHVURJKSA-N 1 2 374.481 2.502 20 30 FFEDLO C=C(C)COc1ccccc1C[N@@H+]1CCO[C@]2(CCCN(C(C)=O)C2)C1 ZINC001138663941 1034523479 /nfs/dbraw/zinc/52/34/79/1034523479.db2.gz GQVADCWVCMNLRG-OAQYLSRUSA-N 1 2 358.482 2.855 20 30 FFEDLO C=C(C)COc1ccccc1C[N@H+]1CCO[C@]2(CCCN(C(C)=O)C2)C1 ZINC001138663941 1034523482 /nfs/dbraw/zinc/52/34/82/1034523482.db2.gz GQVADCWVCMNLRG-OAQYLSRUSA-N 1 2 358.482 2.855 20 30 FFEDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 ZINC001221291568 1034653286 /nfs/dbraw/zinc/65/32/86/1034653286.db2.gz LYBVONIKZWKAIO-SUYBPPKGSA-N 1 2 365.449 2.815 20 30 FFEDLO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 ZINC001221291568 1034653293 /nfs/dbraw/zinc/65/32/93/1034653293.db2.gz LYBVONIKZWKAIO-SUYBPPKGSA-N 1 2 365.449 2.815 20 30 FFEDLO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 ZINC001221294522 1034655555 /nfs/dbraw/zinc/65/55/55/1034655555.db2.gz VJJNFNMWYBBKSQ-OGHNNQOOSA-N 1 2 365.449 2.815 20 30 FFEDLO C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 ZINC001221294522 1034655561 /nfs/dbraw/zinc/65/55/61/1034655561.db2.gz VJJNFNMWYBBKSQ-OGHNNQOOSA-N 1 2 365.449 2.815 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C4CC4)no3)C[C@H]21 ZINC001221423660 1034740285 /nfs/dbraw/zinc/74/02/85/1034740285.db2.gz NLNWVVUGNVKBFD-ZSZQSSIHSA-N 1 2 359.470 2.566 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C4CC4)no3)C[C@H]21 ZINC001221423660 1034740295 /nfs/dbraw/zinc/74/02/95/1034740295.db2.gz NLNWVVUGNVKBFD-ZSZQSSIHSA-N 1 2 359.470 2.566 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(c3ccccc3)C(C)C)C[C@H]21 ZINC001221429124 1034749346 /nfs/dbraw/zinc/74/93/46/1034749346.db2.gz IWEMSNYBNWBWSB-UYAOXDASSA-N 1 2 369.509 2.927 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N(c3ccccc3)C(C)C)C[C@H]21 ZINC001221429124 1034749362 /nfs/dbraw/zinc/74/93/62/1034749362.db2.gz IWEMSNYBNWBWSB-UYAOXDASSA-N 1 2 369.509 2.927 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(F)c3F)C[C@H]21 ZINC001221471182 1034795739 /nfs/dbraw/zinc/79/57/39/1034795739.db2.gz REZDSRBCPIKJNB-CRAIPNDOSA-N 1 2 364.436 2.980 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@H+](Cc3cccc(F)c3F)C[C@H]21 ZINC001221471182 1034795756 /nfs/dbraw/zinc/79/57/56/1034795756.db2.gz REZDSRBCPIKJNB-CRAIPNDOSA-N 1 2 364.436 2.980 20 30 FFEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(F)c3Cl)C[C@H]21 ZINC001221544697 1034863593 /nfs/dbraw/zinc/86/35/93/1034863593.db2.gz CMZRKHDYTMJGIJ-RHSMWYFYSA-N 1 2 364.848 2.552 20 30 FFEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@H+](Cc3cccc(F)c3Cl)C[C@H]21 ZINC001221544697 1034863597 /nfs/dbraw/zinc/86/35/97/1034863597.db2.gz CMZRKHDYTMJGIJ-RHSMWYFYSA-N 1 2 364.848 2.552 20 30 FFEDLO CCO[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21)C1CC1 ZINC001221558258 1034874527 /nfs/dbraw/zinc/87/45/27/1034874527.db2.gz BNBIFXVEFORPNJ-AHRSYUTCSA-N 1 2 371.456 2.545 20 30 FFEDLO CCO[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21)C1CC1 ZINC001221558258 1034874536 /nfs/dbraw/zinc/87/45/36/1034874536.db2.gz BNBIFXVEFORPNJ-AHRSYUTCSA-N 1 2 371.456 2.545 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)c3ccccc3)C[C@H]21 ZINC001221583508 1034895911 /nfs/dbraw/zinc/89/59/11/1034895911.db2.gz OEMBJZYKJSTDQK-IEBWSBKVSA-N 1 2 355.482 2.538 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)c3ccccc3)C[C@H]21 ZINC001221583508 1034895917 /nfs/dbraw/zinc/89/59/17/1034895917.db2.gz OEMBJZYKJSTDQK-IEBWSBKVSA-N 1 2 355.482 2.538 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129643 1034959027 /nfs/dbraw/zinc/95/90/27/1034959027.db2.gz DFDGDKVAZINZBT-AWEZNQCLSA-N 1 2 372.421 2.684 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129643 1034959034 /nfs/dbraw/zinc/95/90/34/1034959034.db2.gz DFDGDKVAZINZBT-AWEZNQCLSA-N 1 2 372.421 2.684 20 30 FFEDLO CC(=O)N1CCC2(C[NH+](Cc3ccc(Oc4ccc(C#N)cc4)nc3)C2)C1 ZINC001139426489 1035103166 /nfs/dbraw/zinc/10/31/66/1035103166.db2.gz WEEOIAYWXWQJHA-UHFFFAOYSA-N 1 2 362.433 2.800 20 30 FFEDLO N#Cc1ccc(Oc2ccc(CN3CC([N@@H+]4CC[C@H](F)C4)C3)cn2)cc1 ZINC001139427974 1035103385 /nfs/dbraw/zinc/10/33/85/1035103385.db2.gz WTMNBXQQFROAOY-KRWDZBQOSA-N 1 2 352.413 2.974 20 30 FFEDLO N#Cc1ccc(Oc2ccc(CN3CC([N@H+]4CC[C@H](F)C4)C3)cn2)cc1 ZINC001139427974 1035103388 /nfs/dbraw/zinc/10/33/88/1035103388.db2.gz WTMNBXQQFROAOY-KRWDZBQOSA-N 1 2 352.413 2.974 20 30 FFEDLO COC(=O)c1ccc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)cc1 ZINC001139649412 1035189217 /nfs/dbraw/zinc/18/92/17/1035189217.db2.gz FZYFGLDGWHILLY-UHFFFAOYSA-N 1 2 353.397 2.806 20 30 FFEDLO C=CCn1cc(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)cn1 ZINC001139771376 1035226739 /nfs/dbraw/zinc/22/67/39/1035226739.db2.gz BIZNWUPJAHYYJE-NZSAHSFTSA-N 1 2 354.454 2.523 20 30 FFEDLO C=CCn1cc(C[N@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)cn1 ZINC001139771376 1035226744 /nfs/dbraw/zinc/22/67/44/1035226744.db2.gz BIZNWUPJAHYYJE-NZSAHSFTSA-N 1 2 354.454 2.523 20 30 FFEDLO Cc1ccc(C(F)(F)F)cc1C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001139887040 1035266400 /nfs/dbraw/zinc/26/64/00/1035266400.db2.gz LBGDSOLCVJPRLF-UHFFFAOYSA-N 1 2 361.371 2.998 20 30 FFEDLO N#Cc1ccc2[nH]cc(C[NH+]3CCN(C(=O)Cc4ccsc4)CC3)c2c1 ZINC001140117617 1035347053 /nfs/dbraw/zinc/34/70/53/1035347053.db2.gz VZQAIMRBEDMYQN-UHFFFAOYSA-N 1 2 364.474 2.988 20 30 FFEDLO N#CC[C@@H]1CCC[N@@H+](Cc2sc(N3CCC(O)CC3)nc2Cl)C1 ZINC001140209217 1035382838 /nfs/dbraw/zinc/38/28/38/1035382838.db2.gz YMXHZLQTBORJQX-LBPRGKRZSA-N 1 2 354.907 2.883 20 30 FFEDLO N#CC[C@@H]1CCC[N@H+](Cc2sc(N3CCC(O)CC3)nc2Cl)C1 ZINC001140209217 1035382842 /nfs/dbraw/zinc/38/28/42/1035382842.db2.gz YMXHZLQTBORJQX-LBPRGKRZSA-N 1 2 354.907 2.883 20 30 FFEDLO CC(C)(C)OC(=O)n1cc(C[N@@H+]2CCC[C@H]2C(N)=O)c2cc(C#N)ccc21 ZINC001140437464 1035477621 /nfs/dbraw/zinc/47/76/21/1035477621.db2.gz GAUZWRPNSXDXDK-KRWDZBQOSA-N 1 2 368.437 2.746 20 30 FFEDLO CC(C)(C)OC(=O)n1cc(C[N@H+]2CCC[C@H]2C(N)=O)c2cc(C#N)ccc21 ZINC001140437464 1035477624 /nfs/dbraw/zinc/47/76/24/1035477624.db2.gz GAUZWRPNSXDXDK-KRWDZBQOSA-N 1 2 368.437 2.746 20 30 FFEDLO C#CCCOc1ccc(C[N@@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)cc1 ZINC000835057713 1035494121 /nfs/dbraw/zinc/49/41/21/1035494121.db2.gz SEOWGXYNIAXMHF-INIZCTEOSA-N 1 2 369.490 2.892 20 30 FFEDLO C#CCCOc1ccc(C[N@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)cc1 ZINC000835057713 1035494127 /nfs/dbraw/zinc/49/41/27/1035494127.db2.gz SEOWGXYNIAXMHF-INIZCTEOSA-N 1 2 369.490 2.892 20 30 FFEDLO O=C1C=C2C[N@H+](Cc3ccc(N4CCOCC4)c(Cl)c3)CC[C@H]2S1 ZINC001232196764 1035495120 /nfs/dbraw/zinc/49/51/20/1035495120.db2.gz LRGMVDGIZKKHQW-QGZVFWFLSA-N 1 2 364.898 2.951 20 30 FFEDLO O=C1C=C2C[N@@H+](Cc3ccc(N4CCOCC4)c(Cl)c3)CC[C@H]2S1 ZINC001232196764 1035495121 /nfs/dbraw/zinc/49/51/21/1035495121.db2.gz LRGMVDGIZKKHQW-QGZVFWFLSA-N 1 2 364.898 2.951 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](Cc2cccn2Cc2ccccc2)CC1 ZINC001232233624 1035510029 /nfs/dbraw/zinc/51/00/29/1035510029.db2.gz IWBPOKHFIXAWST-UHFFFAOYSA-N 1 2 358.449 2.520 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3O)CC[C@@H]2C1 ZINC001232675280 1035933759 /nfs/dbraw/zinc/93/37/59/1035933759.db2.gz OYVHPKADXBCLPW-WBVHZDCISA-N 1 2 357.454 2.953 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc(C#N)ccc3O)CC[C@@H]2C1 ZINC001232675280 1035933766 /nfs/dbraw/zinc/93/37/66/1035933766.db2.gz OYVHPKADXBCLPW-WBVHZDCISA-N 1 2 357.454 2.953 20 30 FFEDLO Cc1nc(CN2CCC3(C[NH+](Cc4cc(C#N)ccc4O)C3)C2)cs1 ZINC001232676852 1035935202 /nfs/dbraw/zinc/93/52/02/1035935202.db2.gz SYPNLOZBRXOULA-UHFFFAOYSA-N 1 2 354.479 2.737 20 30 FFEDLO C[N@H+](CC(=O)c1cccc(O[C@@H]2CCN(CC#N)C2)c1)Cc1ccccc1 ZINC001228103875 1035935351 /nfs/dbraw/zinc/93/53/51/1035935351.db2.gz NROPBQGXQHEFBO-OAQYLSRUSA-N 1 2 363.461 2.978 20 30 FFEDLO C[N@@H+](CC(=O)c1cccc(O[C@@H]2CCN(CC#N)C2)c1)Cc1ccccc1 ZINC001228103875 1035935364 /nfs/dbraw/zinc/93/53/64/1035935364.db2.gz NROPBQGXQHEFBO-OAQYLSRUSA-N 1 2 363.461 2.978 20 30 FFEDLO CC(C)C(=O)NC[C@@H]1CCC[C@]2(CC[N@H+](Cc3cc(C#N)ccc3O)C2)O1 ZINC001232676987 1035936424 /nfs/dbraw/zinc/93/64/24/1035936424.db2.gz WEHQCVLYESJDIU-GHTZIAJQSA-N 1 2 371.481 2.550 20 30 FFEDLO CC(C)C(=O)NC[C@@H]1CCC[C@]2(CC[N@@H+](Cc3cc(C#N)ccc3O)C2)O1 ZINC001232676987 1035936437 /nfs/dbraw/zinc/93/64/37/1035936437.db2.gz WEHQCVLYESJDIU-GHTZIAJQSA-N 1 2 371.481 2.550 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(C#N)ccc3O)C[C@H]12 ZINC001232681906 1035938415 /nfs/dbraw/zinc/93/84/15/1035938415.db2.gz XKZZLWSUSCITSA-HYVNUMGLSA-N 1 2 357.454 2.999 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3O)C[C@H]12 ZINC001232681906 1035938423 /nfs/dbraw/zinc/93/84/23/1035938423.db2.gz XKZZLWSUSCITSA-HYVNUMGLSA-N 1 2 357.454 2.999 20 30 FFEDLO CC(C)(O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cn1 ZINC001232828265 1036081612 /nfs/dbraw/zinc/08/16/12/1036081612.db2.gz FZCWUMRREVKJKV-UHFFFAOYSA-N 1 2 354.429 2.642 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)s1 ZINC001232842993 1036101221 /nfs/dbraw/zinc/10/12/21/1036101221.db2.gz QJJVTTWAPGDFQP-IPMKNSEASA-N 1 2 362.495 2.795 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)s1 ZINC001232842993 1036101233 /nfs/dbraw/zinc/10/12/33/1036101233.db2.gz QJJVTTWAPGDFQP-IPMKNSEASA-N 1 2 362.495 2.795 20 30 FFEDLO CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Br)c(C#N)c1 ZINC001232896173 1036136677 /nfs/dbraw/zinc/13/66/77/1036136677.db2.gz FBQHWNHDMGBJAL-QGZVFWFLSA-N 1 2 362.271 2.908 20 30 FFEDLO CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Br)c(C#N)c1 ZINC001232896173 1036136690 /nfs/dbraw/zinc/13/66/90/1036136690.db2.gz FBQHWNHDMGBJAL-QGZVFWFLSA-N 1 2 362.271 2.908 20 30 FFEDLO CCOC(=O)C1(F)CC[NH+](Cc2ccc(N(C)C)c(C#N)c2F)CC1 ZINC001233100243 1036348444 /nfs/dbraw/zinc/34/84/44/1036348444.db2.gz CSRYHAKZSNVVAR-UHFFFAOYSA-N 1 2 351.397 2.631 20 30 FFEDLO COc1cc(O)c(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)cc1Br ZINC001233137011 1036383252 /nfs/dbraw/zinc/38/32/52/1036383252.db2.gz FASCNRYKBZQKCK-CQSZACIVSA-N 1 2 370.268 2.937 20 30 FFEDLO COc1cc(O)c(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cc1Br ZINC001233137011 1036383271 /nfs/dbraw/zinc/38/32/71/1036383271.db2.gz FASCNRYKBZQKCK-CQSZACIVSA-N 1 2 370.268 2.937 20 30 FFEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)cc2O)Cc2nn(CC3CC3)cc21 ZINC001233384463 1036584106 /nfs/dbraw/zinc/58/41/06/1036584106.db2.gz XADMGTBXUYOLOV-QGZVFWFLSA-N 1 2 352.438 2.616 20 30 FFEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2O)Cc2nn(CC3CC3)cc21 ZINC001233384463 1036584116 /nfs/dbraw/zinc/58/41/16/1036584116.db2.gz XADMGTBXUYOLOV-QGZVFWFLSA-N 1 2 352.438 2.616 20 30 FFEDLO COC(=O)c1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)c1 ZINC001233627853 1036700983 /nfs/dbraw/zinc/70/09/83/1036700983.db2.gz IFPFEDFFEXXPCI-LJQANCHMSA-N 1 2 366.417 2.625 20 30 FFEDLO COC(=O)c1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)c1 ZINC001233627853 1036700998 /nfs/dbraw/zinc/70/09/98/1036700998.db2.gz IFPFEDFFEXXPCI-LJQANCHMSA-N 1 2 366.417 2.625 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Br)c(C)n1 ZINC001277841776 1036973111 /nfs/dbraw/zinc/97/31/11/1036973111.db2.gz YJGKDWHWXIVSAW-HZPDHXFCSA-N 1 2 364.287 2.904 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Br)c(C)n1 ZINC001277841776 1036973130 /nfs/dbraw/zinc/97/31/30/1036973130.db2.gz YJGKDWHWXIVSAW-HZPDHXFCSA-N 1 2 364.287 2.904 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001234385726 1037012382 /nfs/dbraw/zinc/01/23/82/1037012382.db2.gz RBIQUDMNULYDBB-ZCNNSNEGSA-N 1 2 354.494 2.609 20 30 FFEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001234385726 1037012399 /nfs/dbraw/zinc/01/23/99/1037012399.db2.gz RBIQUDMNULYDBB-ZCNNSNEGSA-N 1 2 354.494 2.609 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(C#N)c(Br)c2)C1=O ZINC001277867712 1037101663 /nfs/dbraw/zinc/10/16/63/1037101663.db2.gz MLSJJDIUYMUEIK-GOSISDBHSA-N 1 2 372.266 2.521 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C#N)c(Br)c2)C1=O ZINC001277867712 1037101670 /nfs/dbraw/zinc/10/16/70/1037101670.db2.gz MLSJJDIUYMUEIK-GOSISDBHSA-N 1 2 372.266 2.521 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)C[C@H]1C ZINC001207145037 1037190574 /nfs/dbraw/zinc/19/05/74/1037190574.db2.gz APGFRLFWSVEYFQ-MLGOLLRUSA-N 1 2 350.894 2.545 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)C[C@H]1C ZINC001207145037 1037190578 /nfs/dbraw/zinc/19/05/78/1037190578.db2.gz APGFRLFWSVEYFQ-MLGOLLRUSA-N 1 2 350.894 2.545 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ncc(C)s2)C[C@H]1C)OCC ZINC001207255880 1037289415 /nfs/dbraw/zinc/28/94/15/1037289415.db2.gz RLHVRGZNDGAPGM-FVQBIDKESA-N 1 2 351.516 2.759 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)s2)C[C@H]1C)OCC ZINC001207255880 1037289431 /nfs/dbraw/zinc/28/94/31/1037289431.db2.gz RLHVRGZNDGAPGM-FVQBIDKESA-N 1 2 351.516 2.759 20 30 FFEDLO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001230933295 1037411721 /nfs/dbraw/zinc/41/17/21/1037411721.db2.gz DHRPYGYAUHIEBX-RBRDRRMGSA-N 1 2 369.215 2.657 20 30 FFEDLO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001230933295 1037411732 /nfs/dbraw/zinc/41/17/32/1037411732.db2.gz DHRPYGYAUHIEBX-RBRDRRMGSA-N 1 2 369.215 2.657 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(C)cc(Cl)nc1Cl ZINC001277505590 1037529857 /nfs/dbraw/zinc/52/98/57/1037529857.db2.gz AREYEUDQGGULRZ-ZIAGYGMSSA-N 1 2 352.265 2.895 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(C)cc(Cl)nc1Cl ZINC001277505590 1037529868 /nfs/dbraw/zinc/52/98/68/1037529868.db2.gz AREYEUDQGGULRZ-ZIAGYGMSSA-N 1 2 352.265 2.895 20 30 FFEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001277506133 1037532082 /nfs/dbraw/zinc/53/20/82/1037532082.db2.gz GIKIEEFMDQHHOS-AWEZNQCLSA-N 1 2 350.821 2.536 20 30 FFEDLO C=CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001277508565 1037545513 /nfs/dbraw/zinc/54/55/13/1037545513.db2.gz ZLCGIIZTINFVSN-SFHVURJKSA-N 1 2 366.820 2.712 20 30 FFEDLO C=CCN1C(=O)C[C@]2(CCC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001277508565 1037545529 /nfs/dbraw/zinc/54/55/29/1037545529.db2.gz ZLCGIIZTINFVSN-SFHVURJKSA-N 1 2 366.820 2.712 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001235757256 1037724116 /nfs/dbraw/zinc/72/41/16/1037724116.db2.gz FKJSLTYQGGLURU-NJDAHSKKSA-N 1 2 354.494 2.753 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001235757256 1037724134 /nfs/dbraw/zinc/72/41/34/1037724134.db2.gz FKJSLTYQGGLURU-NJDAHSKKSA-N 1 2 354.494 2.753 20 30 FFEDLO C[C@H](CC(F)F)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208024175 1037951950 /nfs/dbraw/zinc/95/19/50/1037951950.db2.gz GQACRCVQDDXDPK-XHBSWPGZSA-N 1 2 353.388 2.925 20 30 FFEDLO C[C@H](CC(F)F)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208024175 1037951956 /nfs/dbraw/zinc/95/19/56/1037951956.db2.gz GQACRCVQDDXDPK-XHBSWPGZSA-N 1 2 353.388 2.925 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(CC)c2)C[C@H]1C ZINC001208374705 1038262352 /nfs/dbraw/zinc/26/23/52/1038262352.db2.gz TYEBHSBSPFLTSA-YLJYHZDGSA-N 1 2 369.509 2.818 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(CC)c2)C[C@H]1C ZINC001208374705 1038262365 /nfs/dbraw/zinc/26/23/65/1038262365.db2.gz TYEBHSBSPFLTSA-YLJYHZDGSA-N 1 2 369.509 2.818 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001208389099 1038273532 /nfs/dbraw/zinc/27/35/32/1038273532.db2.gz YCTXJLOEQWMHID-YQVWRLOYSA-N 1 2 357.498 2.972 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001208389099 1038273540 /nfs/dbraw/zinc/27/35/40/1038273540.db2.gz YCTXJLOEQWMHID-YQVWRLOYSA-N 1 2 357.498 2.972 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001208390785 1038275998 /nfs/dbraw/zinc/27/59/98/1038275998.db2.gz DCOKXFHNBZQMJR-HDMKZQKVSA-N 1 2 361.461 2.803 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001208390785 1038276006 /nfs/dbraw/zinc/27/60/06/1038276006.db2.gz DCOKXFHNBZQMJR-HDMKZQKVSA-N 1 2 361.461 2.803 20 30 FFEDLO CC1(C)C[N@@H+](C2CN(Cc3ccc(C#N)c(Br)c3)C2)CCO1 ZINC001236862368 1038314072 /nfs/dbraw/zinc/31/40/72/1038314072.db2.gz QRYLQZGVTOLBDZ-UHFFFAOYSA-N 1 2 364.287 2.616 20 30 FFEDLO CC1(C)C[N@H+](C2CN(Cc3ccc(C#N)c(Br)c3)C2)CCO1 ZINC001236862368 1038314087 /nfs/dbraw/zinc/31/40/87/1038314087.db2.gz QRYLQZGVTOLBDZ-UHFFFAOYSA-N 1 2 364.287 2.616 20 30 FFEDLO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C#N)c(Br)c1 ZINC001236861410 1038314175 /nfs/dbraw/zinc/31/41/75/1038314175.db2.gz XSWPEQWVNANPQI-KRWDZBQOSA-N 1 2 362.271 2.908 20 30 FFEDLO CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C#N)c(Br)c1 ZINC001236861410 1038314188 /nfs/dbraw/zinc/31/41/88/1038314188.db2.gz XSWPEQWVNANPQI-KRWDZBQOSA-N 1 2 362.271 2.908 20 30 FFEDLO CN(C)C(=O)NC1CC[NH+](Cc2ccc(C#N)c(Br)c2)CC1 ZINC001236866878 1038316452 /nfs/dbraw/zinc/31/64/52/1038316452.db2.gz VMLVMYHYUDFQKN-UHFFFAOYSA-N 1 2 365.275 2.556 20 30 FFEDLO CCOC(=O)c1cc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)[nH]n1 ZINC001237032986 1038413460 /nfs/dbraw/zinc/41/34/60/1038413460.db2.gz QMYUEPXIQWBIIM-UHFFFAOYSA-N 1 2 354.410 2.501 20 30 FFEDLO C[NH+]1CCN(c2ccc(CN3CC(C)(C#N)C3)cc2Br)CC1 ZINC001237090606 1038440825 /nfs/dbraw/zinc/44/08/25/1038440825.db2.gz QQADEQHJFIJGMX-UHFFFAOYSA-N 1 2 363.303 2.546 20 30 FFEDLO CCn1ccnc1C[N@@H+]1C[C@@H]2CCN(Cc3cc(F)ccc3C#N)[C@@H]2C1 ZINC001278938892 1038541549 /nfs/dbraw/zinc/54/15/49/1038541549.db2.gz CWUJRMWCDGJZJI-QFBILLFUSA-N 1 2 353.445 2.620 20 30 FFEDLO CCn1ccnc1C[N@H+]1C[C@@H]2CCN(Cc3cc(F)ccc3C#N)[C@@H]2C1 ZINC001278938892 1038541552 /nfs/dbraw/zinc/54/15/52/1038541552.db2.gz CWUJRMWCDGJZJI-QFBILLFUSA-N 1 2 353.445 2.620 20 30 FFEDLO C=CCN(CC[NH+]1CCN(c2ccc3c(c2)CCC3=O)CC1)C(=O)OCC ZINC001209024411 1038638267 /nfs/dbraw/zinc/63/82/67/1038638267.db2.gz RIEPWYCFFHGLAA-UHFFFAOYSA-N 1 2 371.481 2.582 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC(F)(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001209240196 1038726747 /nfs/dbraw/zinc/72/67/47/1038726747.db2.gz WJKATOZMVNVEOI-AWEZNQCLSA-N 1 2 370.490 3.000 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC(F)(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001209240196 1038726753 /nfs/dbraw/zinc/72/67/53/1038726753.db2.gz WJKATOZMVNVEOI-AWEZNQCLSA-N 1 2 370.490 3.000 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](CCc2ccccc2C(F)(F)F)CC1 ZINC001209284765 1038744192 /nfs/dbraw/zinc/74/41/92/1038744192.db2.gz WWVLUXYZOLOMCR-UHFFFAOYSA-N 1 2 361.371 2.732 20 30 FFEDLO N#Cc1ccc(Cl)c(C[N@@H+]2C[C@@H]3OCCN(Cc4ccc[nH]4)[C@H]3C2)c1 ZINC001278611593 1038782560 /nfs/dbraw/zinc/78/25/60/1038782560.db2.gz GSCBJQLFAMTIAX-OALUTQOASA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1ccc(Cl)c(C[N@H+]2C[C@@H]3OCCN(Cc4ccc[nH]4)[C@H]3C2)c1 ZINC001278611593 1038782575 /nfs/dbraw/zinc/78/25/75/1038782575.db2.gz GSCBJQLFAMTIAX-OALUTQOASA-N 1 2 356.857 2.625 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1Cc1c(C)[nH]c2ncccc12 ZINC001209588786 1039030150 /nfs/dbraw/zinc/03/01/50/1039030150.db2.gz SSSUAWOBBSMBRA-GOSISDBHSA-N 1 2 366.469 2.785 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1Cc1c(C)[nH]c2ncccc12 ZINC001209588786 1039030170 /nfs/dbraw/zinc/03/01/70/1039030170.db2.gz SSSUAWOBBSMBRA-GOSISDBHSA-N 1 2 366.469 2.785 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)c[nH]1 ZINC001276662423 1039115288 /nfs/dbraw/zinc/11/52/88/1039115288.db2.gz XZLDWNXDCAWKMN-HUUCEWRRSA-N 1 2 365.275 2.646 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)c[nH]1 ZINC001276662423 1039115290 /nfs/dbraw/zinc/11/52/90/1039115290.db2.gz XZLDWNXDCAWKMN-HUUCEWRRSA-N 1 2 365.275 2.646 20 30 FFEDLO CCOC(=O)CC1CCC([NH2+][C@H](Cc2ccc(C#N)cc2)C(=O)OC)CC1 ZINC001258030383 1039129334 /nfs/dbraw/zinc/12/93/34/1039129334.db2.gz ZMTIUQBOKJHPMI-NKELODKYSA-N 1 2 372.465 2.744 20 30 FFEDLO N#Cc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC001245937150 1039152578 /nfs/dbraw/zinc/15/25/78/1039152578.db2.gz JWYFTJFEOFBAHG-UHFFFAOYSA-N 1 2 366.490 2.877 20 30 FFEDLO COCCC[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001210090214 1039377821 /nfs/dbraw/zinc/37/78/21/1039377821.db2.gz ZNCDNBQJASNOKA-QMTMVMCOSA-N 1 2 361.461 2.697 20 30 FFEDLO COCCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001210090214 1039377832 /nfs/dbraw/zinc/37/78/32/1039377832.db2.gz ZNCDNBQJASNOKA-QMTMVMCOSA-N 1 2 361.461 2.697 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cccc2)C1 ZINC001210440300 1039548257 /nfs/dbraw/zinc/54/82/57/1039548257.db2.gz SBGYJCMZTLFGSD-VHDGCEQUSA-N 1 2 354.292 2.784 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cccc2)C1 ZINC001210440300 1039548269 /nfs/dbraw/zinc/54/82/69/1039548269.db2.gz SBGYJCMZTLFGSD-VHDGCEQUSA-N 1 2 354.292 2.784 20 30 FFEDLO CCCCCCCCNC(=S)N[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001247186938 1039650274 /nfs/dbraw/zinc/65/02/74/1039650274.db2.gz ZPDVVXBEXRXGRF-INIZCTEOSA-N 1 2 368.547 2.719 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2c(O)cccc2Cl)cc1C#N ZINC001278491397 1039883349 /nfs/dbraw/zinc/88/33/49/1039883349.db2.gz UNIBOUPXTGIPAJ-IYBDPMFKSA-N 1 2 356.857 2.714 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2c(O)cccc2Cl)cc1C#N ZINC001278491397 1039883367 /nfs/dbraw/zinc/88/33/67/1039883367.db2.gz UNIBOUPXTGIPAJ-IYBDPMFKSA-N 1 2 356.857 2.714 20 30 FFEDLO C=CCCCNC(=S)N1CCC2(CC1)c1[nH+]cc(C)n1CCN2CC ZINC001247727070 1039917959 /nfs/dbraw/zinc/91/79/59/1039917959.db2.gz MFDGTRWOIGJRNB-UHFFFAOYSA-N 1 2 361.559 2.659 20 30 FFEDLO Cc1cnc([C@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)o1 ZINC001211232650 1040019012 /nfs/dbraw/zinc/01/90/12/1040019012.db2.gz QICVGEWCATTWJL-HHXXYDBFSA-N 1 2 351.450 2.922 20 30 FFEDLO Cc1cnc([C@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)o1 ZINC001211232650 1040019028 /nfs/dbraw/zinc/01/90/28/1040019028.db2.gz QICVGEWCATTWJL-HHXXYDBFSA-N 1 2 351.450 2.922 20 30 FFEDLO N#Cc1ccc(CS(=O)(=O)Nc2c[nH+]ccc2N2CCCCC2)cc1 ZINC001260038978 1040370290 /nfs/dbraw/zinc/37/02/90/1040370290.db2.gz ILAFKFUWSGTKMF-UHFFFAOYSA-N 1 2 356.451 2.885 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001213268797 1040393837 /nfs/dbraw/zinc/39/38/37/1040393837.db2.gz SQKLAOFXIJVCBZ-QZTJIDSGSA-N 1 2 360.885 2.719 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001213268797 1040393840 /nfs/dbraw/zinc/39/38/40/1040393840.db2.gz SQKLAOFXIJVCBZ-QZTJIDSGSA-N 1 2 360.885 2.719 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2F)C1 ZINC001248757881 1040400978 /nfs/dbraw/zinc/40/09/78/1040400978.db2.gz SBLGHYVIHKVFCJ-AWEZNQCLSA-N 1 2 352.406 2.720 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2F)C1 ZINC001248757881 1040400984 /nfs/dbraw/zinc/40/09/84/1040400984.db2.gz SBLGHYVIHKVFCJ-AWEZNQCLSA-N 1 2 352.406 2.720 20 30 FFEDLO CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2OC)CCC1 ZINC001213307865 1040430855 /nfs/dbraw/zinc/43/08/55/1040430855.db2.gz SWRNPJXXBDGOAJ-RTBURBONSA-N 1 2 355.482 2.844 20 30 FFEDLO CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2OC)CCC1 ZINC001213307865 1040430865 /nfs/dbraw/zinc/43/08/65/1040430865.db2.gz SWRNPJXXBDGOAJ-RTBURBONSA-N 1 2 355.482 2.844 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2nc3ccccc3o2)C[C@H]1OC ZINC001213319869 1040443437 /nfs/dbraw/zinc/44/34/37/1040443437.db2.gz FRYQHBDTJJYAON-QGPMSJSTSA-N 1 2 357.454 2.746 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2nc3ccccc3o2)C[C@H]1OC ZINC001213319869 1040443444 /nfs/dbraw/zinc/44/34/44/1040443444.db2.gz FRYQHBDTJJYAON-QGPMSJSTSA-N 1 2 357.454 2.746 20 30 FFEDLO N#Cc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)c(O)c1 ZINC001213487168 1040601537 /nfs/dbraw/zinc/60/15/37/1040601537.db2.gz KMOSHWSWYQVXQK-UHFFFAOYSA-N 1 2 357.385 2.858 20 30 FFEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213609177 1040715580 /nfs/dbraw/zinc/71/55/80/1040715580.db2.gz ONKDNTVNHROOQY-GDIGMMSISA-N 1 2 361.461 2.839 20 30 FFEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213609177 1040715593 /nfs/dbraw/zinc/71/55/93/1040715593.db2.gz ONKDNTVNHROOQY-GDIGMMSISA-N 1 2 361.461 2.839 20 30 FFEDLO O=C1C=C2C[N@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC[C@H]2S1 ZINC001254473789 1040740091 /nfs/dbraw/zinc/74/00/91/1040740091.db2.gz BGMYLBNJRNVGKS-QGZVFWFLSA-N 1 2 359.451 2.838 20 30 FFEDLO O=C1C=C2C[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC[C@H]2S1 ZINC001254473789 1040740105 /nfs/dbraw/zinc/74/01/05/1040740105.db2.gz BGMYLBNJRNVGKS-QGZVFWFLSA-N 1 2 359.451 2.838 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H](C)CC(C)C ZINC001213633850 1040745813 /nfs/dbraw/zinc/74/58/13/1040745813.db2.gz LLNCBIWSTPLLGB-GDIGMMSISA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H](C)CC(C)C ZINC001213633850 1040745831 /nfs/dbraw/zinc/74/58/31/1040745831.db2.gz LLNCBIWSTPLLGB-GDIGMMSISA-N 1 2 361.461 2.695 20 30 FFEDLO COC(=O)[C@H](CS)[NH2+][C@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254731921 1040917492 /nfs/dbraw/zinc/91/74/92/1040917492.db2.gz QAMLJWBICNINSH-KBPBESRZSA-N 1 2 372.531 2.617 20 30 FFEDLO N#Cc1cccc(CN2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c1F ZINC001249680139 1040938059 /nfs/dbraw/zinc/93/80/59/1040938059.db2.gz JEIJMTSAUKPKQC-INIZCTEOSA-N 1 2 354.429 2.952 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1OC)c1ccccc1 ZINC001213896242 1041040885 /nfs/dbraw/zinc/04/08/85/1041040885.db2.gz YHDQANSAIJEACV-VAMGGRTRSA-N 1 2 369.465 2.658 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1OC)c1ccccc1 ZINC001213896242 1041040893 /nfs/dbraw/zinc/04/08/93/1041040893.db2.gz YHDQANSAIJEACV-VAMGGRTRSA-N 1 2 369.465 2.658 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1OC)c1ccccc1 ZINC001213900440 1041050871 /nfs/dbraw/zinc/05/08/71/1041050871.db2.gz ZZNHVTXVELMINR-KFKAGJAMSA-N 1 2 371.506 2.818 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1OC)c1ccccc1 ZINC001213900440 1041050886 /nfs/dbraw/zinc/05/08/86/1041050886.db2.gz ZZNHVTXVELMINR-KFKAGJAMSA-N 1 2 371.506 2.818 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(Cc4c(F)cc(F)cc4F)C3)C2)cc1C#N ZINC001278588300 1041281567 /nfs/dbraw/zinc/28/15/67/1041281567.db2.gz RJVCOOMKGBBSQE-UHFFFAOYSA-N 1 2 360.383 2.632 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C(F)F)no3)C2)CCC1 ZINC001215478644 1041799886 /nfs/dbraw/zinc/79/98/86/1041799886.db2.gz ZPMTYUTXPSTXMN-VXGBXAGGSA-N 1 2 354.401 2.690 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@H](OC)C1 ZINC001262980895 1042006541 /nfs/dbraw/zinc/00/65/41/1042006541.db2.gz UTJMOXBJXVDPBS-DLBZAZTESA-N 1 2 358.490 2.911 20 30 FFEDLO C=CCn1c(N2CCCC[C@@H]2CC(C)C)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001262987984 1042011792 /nfs/dbraw/zinc/01/17/92/1042011792.db2.gz JVHVZJYDLIHXME-HLIPFELVSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCn1c(N2CCCC[C@@H]2CC(C)C)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001262987984 1042011798 /nfs/dbraw/zinc/01/17/98/1042011798.db2.gz JVHVZJYDLIHXME-HLIPFELVSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnn2)C1)c1ccccc1 ZINC001216806223 1042128610 /nfs/dbraw/zinc/12/86/10/1042128610.db2.gz GQZJWNZZEOGAAF-FHLIZLRMSA-N 1 2 356.495 2.835 20 30 FFEDLO C=C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(CC)o2)C1)c1ccccc1 ZINC001216811801 1042131318 /nfs/dbraw/zinc/13/13/18/1042131318.db2.gz RIBXZGHLBYVQLK-JFIYKMOQSA-N 1 2 368.481 2.928 20 30 FFEDLO C=C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CC)no2)C1)c1ccccc1 ZINC001216815731 1042133893 /nfs/dbraw/zinc/13/38/93/1042133893.db2.gz RGQZKROPFASSIF-JFIYKMOQSA-N 1 2 368.481 2.928 20 30 FFEDLO COCC(C)(C)CC(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001263661095 1042424089 /nfs/dbraw/zinc/42/40/89/1042424089.db2.gz ZGXBEOMONNJBOY-UHFFFAOYSA-N 1 2 365.495 2.538 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cscn2)C[C@H]1c1ccccc1 ZINC001263884575 1042507580 /nfs/dbraw/zinc/50/75/80/1042507580.db2.gz UYMWUZJOKJVIIX-NSHGMRRFSA-N 1 2 371.506 2.554 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cscn2)C[C@H]1c1ccccc1 ZINC001263884575 1042507582 /nfs/dbraw/zinc/50/75/82/1042507582.db2.gz UYMWUZJOKJVIIX-NSHGMRRFSA-N 1 2 371.506 2.554 20 30 FFEDLO CCOc1ccc([C@@H]2CC[N@H+](CCF)C[C@@H]2NC(=O)C#CC2CC2)cc1 ZINC001264041944 1042593379 /nfs/dbraw/zinc/59/33/79/1042593379.db2.gz JKBCHGAQSMIHBM-PMACEKPBSA-N 1 2 358.457 2.742 20 30 FFEDLO CCOc1ccc([C@@H]2CC[N@@H+](CCF)C[C@@H]2NC(=O)C#CC2CC2)cc1 ZINC001264041944 1042593383 /nfs/dbraw/zinc/59/33/83/1042593383.db2.gz JKBCHGAQSMIHBM-PMACEKPBSA-N 1 2 358.457 2.742 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc3cc(C)ccc3s2)[C@H]1C ZINC001264724755 1042805630 /nfs/dbraw/zinc/80/56/30/1042805630.db2.gz GPJQKTARHGQWNJ-ZBFHGGJFSA-N 1 2 371.506 2.705 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc3cc(C)ccc3s2)[C@H]1C ZINC001264724755 1042805635 /nfs/dbraw/zinc/80/56/35/1042805635.db2.gz GPJQKTARHGQWNJ-ZBFHGGJFSA-N 1 2 371.506 2.705 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(Cc4c(F)ccc(F)c4F)C3)C2)cc1C#N ZINC001279435195 1043110457 /nfs/dbraw/zinc/11/04/57/1043110457.db2.gz ZNCVHHHLTLGDPO-UHFFFAOYSA-N 1 2 360.383 2.632 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@@H+](Cc1cc(Cl)cc(C#N)c1)CC2 ZINC001237751941 1043341962 /nfs/dbraw/zinc/34/19/62/1043341962.db2.gz ASVODRAQZXOSEO-UHFFFAOYSA-N 1 2 358.829 2.643 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@H+](Cc1cc(Cl)cc(C#N)c1)CC2 ZINC001237751941 1043341974 /nfs/dbraw/zinc/34/19/74/1043341974.db2.gz ASVODRAQZXOSEO-UHFFFAOYSA-N 1 2 358.829 2.643 20 30 FFEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cccc(-c3ccccn3)n2)CC1 ZINC001237836264 1043390675 /nfs/dbraw/zinc/39/06/75/1043390675.db2.gz JKMSIHPCRJGMFV-UHFFFAOYSA-N 1 2 350.422 2.812 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1CC(C)C)C1CC[NH+](Cc2nccn2C)CC1 ZINC001278185078 1043521626 /nfs/dbraw/zinc/52/16/26/1043521626.db2.gz WODXOHCIQLSVPL-IEBWSBKVSA-N 1 2 356.514 2.529 20 30 FFEDLO COc1cc(C[N@@H+]2CCc3c(c(COCC4CC4)nn3C)C2)ccc1C#N ZINC001238408521 1043690248 /nfs/dbraw/zinc/69/02/48/1043690248.db2.gz TUKWOIGAKHLQIQ-UHFFFAOYSA-N 1 2 366.465 2.785 20 30 FFEDLO COc1cc(C[N@H+]2CCc3c(c(COCC4CC4)nn3C)C2)ccc1C#N ZINC001238408521 1043690252 /nfs/dbraw/zinc/69/02/52/1043690252.db2.gz TUKWOIGAKHLQIQ-UHFFFAOYSA-N 1 2 366.465 2.785 20 30 FFEDLO CN(C(=O)[C@H]1CC12C[NH+](Cc1cc(F)cc(C#N)c1)C2)C1CC(F)(F)C1 ZINC001279821833 1043705204 /nfs/dbraw/zinc/70/52/04/1043705204.db2.gz LNMKTUFTLLANPB-MRXNPFEDSA-N 1 2 363.383 2.775 20 30 FFEDLO CN(C(=O)[C@@H]1CC12C[NH+](Cc1cc(F)cc(C#N)c1)C2)C1CC(F)(F)C1 ZINC001279821832 1043705399 /nfs/dbraw/zinc/70/53/99/1043705399.db2.gz LNMKTUFTLLANPB-INIZCTEOSA-N 1 2 363.383 2.775 20 30 FFEDLO C=CCCCCC[N@@H+]1Cc2ccnn2CC[C@@H]1C(=O)NC1(C#N)CCC1 ZINC001279830320 1043735476 /nfs/dbraw/zinc/73/54/76/1043735476.db2.gz WZDCXPLKDDFDGS-GOSISDBHSA-N 1 2 355.486 2.766 20 30 FFEDLO C=CCCCCC[N@H+]1Cc2ccnn2CC[C@@H]1C(=O)NC1(C#N)CCC1 ZINC001279830320 1043735485 /nfs/dbraw/zinc/73/54/85/1043735485.db2.gz WZDCXPLKDDFDGS-GOSISDBHSA-N 1 2 355.486 2.766 20 30 FFEDLO CCCCCCCCNC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2COCCOC ZINC001279910909 1043910210 /nfs/dbraw/zinc/91/02/10/1043910210.db2.gz SXIAUWAJHZBDMP-ROUUACIJSA-N 1 2 355.523 2.826 20 30 FFEDLO CCCCCCCCNC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2COCCOC ZINC001279910909 1043910219 /nfs/dbraw/zinc/91/02/19/1043910219.db2.gz SXIAUWAJHZBDMP-ROUUACIJSA-N 1 2 355.523 2.826 20 30 FFEDLO N#Cc1ccc2cc(C[N@@H+]3C[C@@H]4OCCN(C5CCCC5)[C@H]4C3)[nH]c2c1 ZINC001279979818 1044025418 /nfs/dbraw/zinc/02/54/18/1044025418.db2.gz HARODQOGCVIWQC-SFTDATJTSA-N 1 2 350.466 2.867 20 30 FFEDLO N#Cc1ccc2cc(C[N@H+]3C[C@@H]4OCCN(C5CCCC5)[C@H]4C3)[nH]c2c1 ZINC001279979818 1044025433 /nfs/dbraw/zinc/02/54/33/1044025433.db2.gz HARODQOGCVIWQC-SFTDATJTSA-N 1 2 350.466 2.867 20 30 FFEDLO COC(=O)c1cc(-c2ccc(OCC[NH+]3CCOCC3)cc2)ccc1C#N ZINC001240450830 1044348975 /nfs/dbraw/zinc/34/89/75/1044348975.db2.gz CVJSFERNCLJWIQ-UHFFFAOYSA-N 1 2 366.417 2.723 20 30 FFEDLO CC[N@@H+]1CCc2c([nH]nc2C(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC001280257352 1044482163 /nfs/dbraw/zinc/48/21/63/1044482163.db2.gz IQIVPIZXWHRNDG-UHFFFAOYSA-N 1 2 355.467 2.852 20 30 FFEDLO CC[N@H+]1CCc2c([nH]nc2C(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC001280257352 1044482169 /nfs/dbraw/zinc/48/21/69/1044482169.db2.gz IQIVPIZXWHRNDG-UHFFFAOYSA-N 1 2 355.467 2.852 20 30 FFEDLO COc1cc[nH+]cc1Cn1c(CC2CC2)nnc1N(CCC#N)CC1CC1 ZINC001315671609 1044650609 /nfs/dbraw/zinc/65/06/09/1044650609.db2.gz IBKLQNZTXLLCOK-UHFFFAOYSA-N 1 2 366.469 2.813 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C5CC5)o4)CC[C@@H]3C2)CCC1 ZINC001316757064 1044914640 /nfs/dbraw/zinc/91/46/40/1044914640.db2.gz NLHSWTAHJVHWIU-SJORKVTESA-N 1 2 370.497 2.974 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C5CC5)o4)CC[C@@H]3C2)CCC1 ZINC001316757064 1044914650 /nfs/dbraw/zinc/91/46/50/1044914650.db2.gz NLHSWTAHJVHWIU-SJORKVTESA-N 1 2 370.497 2.974 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)CSCC#N)CC[N@@H+]1Cc1ccc(F)cc1Cl ZINC001316775632 1044928818 /nfs/dbraw/zinc/92/88/18/1044928818.db2.gz DZNMSHJIJPQDOJ-ABAIWWIYSA-N 1 2 355.866 2.815 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)CSCC#N)CC[N@H+]1Cc1ccc(F)cc1Cl ZINC001316775632 1044928820 /nfs/dbraw/zinc/92/88/20/1044928820.db2.gz DZNMSHJIJPQDOJ-ABAIWWIYSA-N 1 2 355.866 2.815 20 30 FFEDLO C#CC[N@H+](CC1CC1)CN1C(=O)NC2(CCC(c3ccccc3)CC2)C1=O ZINC001319676557 1045236890 /nfs/dbraw/zinc/23/68/90/1045236890.db2.gz VRRLHABGUDVLKD-UHFFFAOYSA-N 1 2 365.477 2.938 20 30 FFEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)NC2(CCC(c3ccccc3)CC2)C1=O ZINC001319676557 1045236901 /nfs/dbraw/zinc/23/69/01/1045236901.db2.gz VRRLHABGUDVLKD-UHFFFAOYSA-N 1 2 365.477 2.938 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CCCC2CCOCC2)CC1 ZINC001539429860 1070635366 /nfs/dbraw/zinc/63/53/66/1070635366.db2.gz FIHMQRSPHGPUPZ-UHFFFAOYSA-N 1 2 373.545 2.538 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2C[C@H]2CCC[C@@H]2CC)CC1 ZINC001539453704 1070641888 /nfs/dbraw/zinc/64/18/88/1070641888.db2.gz CEIFYAITOSMAFH-RBUKOAKNSA-N 1 2 355.530 2.812 20 30 FFEDLO C=C(C)CCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001282201334 1045416041 /nfs/dbraw/zinc/41/60/41/1045416041.db2.gz LEMDCBWTHGLEKB-SQNIBIBYSA-N 1 2 360.502 2.934 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000644385734 1045668368 /nfs/dbraw/zinc/66/83/68/1045668368.db2.gz BQEHTWLQXAZPQJ-ZACQAIPSSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000644385734 1045668375 /nfs/dbraw/zinc/66/83/75/1045668375.db2.gz BQEHTWLQXAZPQJ-ZACQAIPSSA-N 1 2 361.486 2.812 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C1 ZINC001323728290 1045700711 /nfs/dbraw/zinc/70/07/11/1045700711.db2.gz KGVAXGCONKOWJT-NVXWUHKLSA-N 1 2 369.421 2.827 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C1 ZINC001323728290 1045700716 /nfs/dbraw/zinc/70/07/16/1045700716.db2.gz KGVAXGCONKOWJT-NVXWUHKLSA-N 1 2 369.421 2.827 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001282538933 1045810983 /nfs/dbraw/zinc/81/09/83/1045810983.db2.gz BHNJVZTZEKZFGD-FGTMMUONSA-N 1 2 360.502 2.791 20 30 FFEDLO CC#CCCCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001286040218 1046992562 /nfs/dbraw/zinc/99/25/62/1046992562.db2.gz AHXSTDAZFCIVDW-IAGOWNOFSA-N 1 2 370.497 2.642 20 30 FFEDLO CC#CCCCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001286040218 1046992573 /nfs/dbraw/zinc/99/25/73/1046992573.db2.gz AHXSTDAZFCIVDW-IAGOWNOFSA-N 1 2 370.497 2.642 20 30 FFEDLO C=C(C)CCC(=O)N1CCC(C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001286148679 1047033268 /nfs/dbraw/zinc/03/32/68/1047033268.db2.gz FSZDWNGPJXZDJR-HZPDHXFCSA-N 1 2 358.486 2.614 20 30 FFEDLO C=C(C)CCC(=O)N1CCC(C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001286148679 1047033281 /nfs/dbraw/zinc/03/32/81/1047033281.db2.gz FSZDWNGPJXZDJR-HZPDHXFCSA-N 1 2 358.486 2.614 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2C[C@H](OC)C(C)(C)C)CC1 ZINC001286480411 1047120904 /nfs/dbraw/zinc/12/09/04/1047120904.db2.gz VTSPTLLAZZRQQR-SFHVURJKSA-N 1 2 373.545 2.752 20 30 FFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001327114029 1047192773 /nfs/dbraw/zinc/19/27/73/1047192773.db2.gz MRUGOCSQIZEFGC-APWZRJJASA-N 1 2 350.466 2.952 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC001287924427 1047373708 /nfs/dbraw/zinc/37/37/08/1047373708.db2.gz MNQMREMECXZFLD-PZJWPPBQSA-N 1 2 360.498 2.541 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC001287924427 1047373720 /nfs/dbraw/zinc/37/37/20/1047373720.db2.gz MNQMREMECXZFLD-PZJWPPBQSA-N 1 2 360.498 2.541 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2C)CCC1 ZINC001289406278 1047662473 /nfs/dbraw/zinc/66/24/73/1047662473.db2.gz SSCJRXZBHCLMNQ-HZPDHXFCSA-N 1 2 366.465 2.657 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001290189726 1047909364 /nfs/dbraw/zinc/90/93/64/1047909364.db2.gz VYHNKKJGGIOANX-JKSUJKDBSA-N 1 2 360.502 2.540 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(CC(C)C)nc3)CC2)c1C#N ZINC001333717158 1049076583 /nfs/dbraw/zinc/07/65/83/1049076583.db2.gz KAIXGOVVGBECKK-UHFFFAOYSA-N 1 2 352.486 2.516 20 30 FFEDLO C=CCC1(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001293368415 1049542907 /nfs/dbraw/zinc/54/29/07/1049542907.db2.gz ZPSXIEDGWMFWBR-HZPDHXFCSA-N 1 2 358.486 2.662 20 30 FFEDLO C=CCC1(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001293368415 1049542922 /nfs/dbraw/zinc/54/29/22/1049542922.db2.gz ZPSXIEDGWMFWBR-HZPDHXFCSA-N 1 2 358.486 2.662 20 30 FFEDLO C=CCC[C@@H](C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1)c1ccccc1 ZINC001295429585 1049926886 /nfs/dbraw/zinc/92/68/86/1049926886.db2.gz LFMJKULLCHPWEM-MOPGFXCFSA-N 1 2 356.466 2.633 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@@H]3CCC[C@@H]32)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001341837527 1050449091 /nfs/dbraw/zinc/44/90/91/1050449091.db2.gz FZAQLRBFANIPNG-BOSXTWCSSA-N 1 2 359.518 2.535 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@@H]3CCC[C@@H]32)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001341837527 1050449097 /nfs/dbraw/zinc/44/90/97/1050449097.db2.gz FZAQLRBFANIPNG-BOSXTWCSSA-N 1 2 359.518 2.535 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001341854766 1050465495 /nfs/dbraw/zinc/46/54/95/1050465495.db2.gz UWCDGOQJFHHBGF-GOSISDBHSA-N 1 2 359.518 2.703 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC2(CCC2)C1 ZINC001340194692 1050602527 /nfs/dbraw/zinc/60/25/27/1050602527.db2.gz CRZYYWSVAZUQPE-IRXDYDNUSA-N 1 2 357.502 2.770 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC2(CCC2)C1 ZINC001340194692 1050602531 /nfs/dbraw/zinc/60/25/31/1050602531.db2.gz CRZYYWSVAZUQPE-IRXDYDNUSA-N 1 2 357.502 2.770 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)Cc1ccco1 ZINC001340194720 1050602887 /nfs/dbraw/zinc/60/28/87/1050602887.db2.gz DOBXWBWMVCKEEH-DOTOQJQBSA-N 1 2 357.458 2.619 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)Cc1ccco1 ZINC001340194720 1050602892 /nfs/dbraw/zinc/60/28/92/1050602892.db2.gz DOBXWBWMVCKEEH-DOTOQJQBSA-N 1 2 357.458 2.619 20 30 FFEDLO C=CCn1c(N(C)[C@@H](C)c2ccccc2C)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340569885 1050957951 /nfs/dbraw/zinc/95/79/51/1050957951.db2.gz FLWQPLQIRXPTCX-FVJLSDCUSA-N 1 2 369.513 2.882 20 30 FFEDLO C=CCn1c(N(C)[C@@H](C)c2ccccc2C)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340569885 1050957966 /nfs/dbraw/zinc/95/79/66/1050957966.db2.gz FLWQPLQIRXPTCX-FVJLSDCUSA-N 1 2 369.513 2.882 20 30 FFEDLO C=CCn1c([C@H](O)C=C)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001342371434 1050964505 /nfs/dbraw/zinc/96/45/05/1050964505.db2.gz IFWSLAWAQLDPGX-QGZVFWFLSA-N 1 2 373.888 2.659 20 30 FFEDLO Cc1nc(NCc2cccc(C(=O)NOc3cccc(C#N)c3)c2)cc[nH+]1 ZINC001302373889 1051099843 /nfs/dbraw/zinc/09/98/43/1051099843.db2.gz NZXWNFJYQXOKJK-UHFFFAOYSA-N 1 2 359.389 2.993 20 30 FFEDLO C=C(C)Cn1c(CC(F)F)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001342792010 1051400636 /nfs/dbraw/zinc/40/06/36/1051400636.db2.gz PXYBUQSMXWJWLG-UHFFFAOYSA-N 1 2 362.428 2.686 20 30 FFEDLO C=CC[C@H]1N(c2nnc(C[N@@H+]3CCC[C@@H](O)C3)n2CC)CCCC1(C)C ZINC001341086805 1051432646 /nfs/dbraw/zinc/43/26/46/1051432646.db2.gz OCRDXOPKCMSZAK-IAGOWNOFSA-N 1 2 361.534 2.826 20 30 FFEDLO C=CC[C@H]1N(c2nnc(C[N@H+]3CCC[C@@H](O)C3)n2CC)CCCC1(C)C ZINC001341086805 1051432655 /nfs/dbraw/zinc/43/26/55/1051432655.db2.gz OCRDXOPKCMSZAK-IAGOWNOFSA-N 1 2 361.534 2.826 20 30 FFEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)C[C@H]1CCCO1 ZINC001342920775 1051531102 /nfs/dbraw/zinc/53/11/02/1051531102.db2.gz GTRMOVRRQYPQCN-GOSISDBHSA-N 1 2 374.533 2.642 20 30 FFEDLO CCn1c(C[NH+]2CCCCC2)nnc1N1CCc2c(CC#N)cccc2C1 ZINC001342972627 1051587015 /nfs/dbraw/zinc/58/70/15/1051587015.db2.gz VGPMBDWFWRPIRB-UHFFFAOYSA-N 1 2 364.497 2.913 20 30 FFEDLO Cc1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001304789896 1051698183 /nfs/dbraw/zinc/69/81/83/1051698183.db2.gz YGTIHQVNJOHMLD-OAHLLOKOSA-N 1 2 353.474 2.759 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc([C@@]2(C)C[C@@H](O)C[N@H+]2C)n1CC(=C)C ZINC001343287199 1052136073 /nfs/dbraw/zinc/13/60/73/1052136073.db2.gz IQVCUJAIVVELCL-MBOZVWFJSA-N 1 2 359.518 2.701 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc([C@@]2(C)C[C@@H](O)C[N@@H+]2C)n1CC(=C)C ZINC001343287199 1052136080 /nfs/dbraw/zinc/13/60/80/1052136080.db2.gz IQVCUJAIVVELCL-MBOZVWFJSA-N 1 2 359.518 2.701 20 30 FFEDLO C[C@H](C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1)c1ccco1 ZINC001344935363 1052144073 /nfs/dbraw/zinc/14/40/73/1052144073.db2.gz FGIHOAZRHCGQFW-HNNXBMFYSA-N 1 2 359.447 2.872 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1CC(C)C ZINC001343467296 1052250315 /nfs/dbraw/zinc/25/03/15/1052250315.db2.gz CWXMKDOSISMQBR-MSOLQXFVSA-N 1 2 359.518 2.708 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1CC(C)C ZINC001343467296 1052250321 /nfs/dbraw/zinc/25/03/21/1052250321.db2.gz CWXMKDOSISMQBR-MSOLQXFVSA-N 1 2 359.518 2.708 20 30 FFEDLO C#CCC(C)(C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC(C)C ZINC001343468948 1052251103 /nfs/dbraw/zinc/25/11/03/1052251103.db2.gz MMXGNUQONYNXEH-UHFFFAOYSA-N 1 2 366.513 2.957 20 30 FFEDLO N#Cc1cc(F)ccc1N1CC[NH+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC001308007515 1052382094 /nfs/dbraw/zinc/38/20/94/1052382094.db2.gz FORXPDQEKXQHJI-HOCLYGCPSA-N 1 2 357.351 2.929 20 30 FFEDLO C=CCC[C@H]1CCCN1c1nnc(Cc2[nH+]ccn2C)n1C[C@H]1CCOC1 ZINC001345427596 1052440605 /nfs/dbraw/zinc/44/06/05/1052440605.db2.gz NYHHNXUAJKKCCD-SJORKVTESA-N 1 2 370.501 2.574 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001344113989 1052604980 /nfs/dbraw/zinc/60/49/80/1052604980.db2.gz KRNRVVNCHDBEQG-IAGOWNOFSA-N 1 2 358.486 2.573 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2CCCOCC)C1 ZINC001344467247 1052785534 /nfs/dbraw/zinc/78/55/34/1052785534.db2.gz HQNCRPBONCJLFD-GOSISDBHSA-N 1 2 359.518 2.540 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H]1CC ZINC001344787095 1052927408 /nfs/dbraw/zinc/92/74/08/1052927408.db2.gz RQISNYHRRFGRIF-FGTMMUONSA-N 1 2 358.486 2.524 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H]1CC ZINC001344816296 1052938658 /nfs/dbraw/zinc/93/86/58/1052938658.db2.gz LSOJUXMDRZFOKV-VXIBKDFQSA-N 1 2 370.497 2.777 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H]1CC ZINC001344816296 1052938661 /nfs/dbraw/zinc/93/86/61/1052938661.db2.gz LSOJUXMDRZFOKV-VXIBKDFQSA-N 1 2 370.497 2.777 20 30 FFEDLO N#Cc1ccnnc1N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001336470058 1054010429 /nfs/dbraw/zinc/01/04/29/1054010429.db2.gz FWFHNAUHIOEWEM-UHFFFAOYSA-N 1 2 363.343 2.569 20 30 FFEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(F)(F)C1 ZINC001347643459 1054186650 /nfs/dbraw/zinc/18/66/50/1054186650.db2.gz BZBKURHRIZCWCE-UHFFFAOYSA-N 1 2 366.460 2.873 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@@H](c2nnc(N3CCC[C@H](CC#N)C3)n2CC2CC2)C1 ZINC001348095203 1054644553 /nfs/dbraw/zinc/64/45/53/1054644553.db2.gz QGDWXJDIXWYROO-SJLPKXTDSA-N 1 2 372.517 2.600 20 30 FFEDLO CC(C)[N@H+]1CCO[C@@H](c2nnc(N3CCC[C@H](CC#N)C3)n2CC2CC2)C1 ZINC001348095203 1054644558 /nfs/dbraw/zinc/64/45/58/1054644558.db2.gz QGDWXJDIXWYROO-SJLPKXTDSA-N 1 2 372.517 2.600 20 30 FFEDLO Cc1cc(C#N)cc(C)c1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001348545858 1054779765 /nfs/dbraw/zinc/77/97/65/1054779765.db2.gz WAZPJLLJHVZVFF-HXUWFJFHSA-N 1 2 363.461 2.806 20 30 FFEDLO Cc1cc(C#N)cc(C)c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001348545858 1054779779 /nfs/dbraw/zinc/77/97/79/1054779779.db2.gz WAZPJLLJHVZVFF-HXUWFJFHSA-N 1 2 363.461 2.806 20 30 FFEDLO N#CC1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CCOCC1 ZINC001337608788 1054888859 /nfs/dbraw/zinc/88/88/59/1054888859.db2.gz KPUIHVWNGCBYNB-KRWDZBQOSA-N 1 2 361.873 2.741 20 30 FFEDLO N#CC1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CCOCC1 ZINC001337608788 1054888873 /nfs/dbraw/zinc/88/88/73/1054888873.db2.gz KPUIHVWNGCBYNB-KRWDZBQOSA-N 1 2 361.873 2.741 20 30 FFEDLO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001351634977 1054931199 /nfs/dbraw/zinc/93/11/99/1054931199.db2.gz JIZKVBQEEXRZAY-RHSMWYFYSA-N 1 2 368.485 2.728 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC=C)C1 ZINC001351949645 1055083377 /nfs/dbraw/zinc/08/33/77/1055083377.db2.gz PJSXAUCWENAURP-SFHVURJKSA-N 1 2 366.513 2.797 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@@H](CO)[C@@H]1C ZINC001351980911 1055098353 /nfs/dbraw/zinc/09/83/53/1055098353.db2.gz KHMJFDAYVCOELP-OKZBNKHCSA-N 1 2 372.517 2.893 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccccc2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001356133598 1055319622 /nfs/dbraw/zinc/31/96/22/1055319622.db2.gz IFVLCIXKXURQSJ-SYNHAJSKSA-N 1 2 355.486 2.573 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccccc2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001356133598 1055319641 /nfs/dbraw/zinc/31/96/41/1055319641.db2.gz IFVLCIXKXURQSJ-SYNHAJSKSA-N 1 2 355.486 2.573 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(SC)CC1 ZINC001356377312 1055478992 /nfs/dbraw/zinc/47/89/92/1055478992.db2.gz BBAQGDAWVVHDFH-UHFFFAOYSA-N 1 2 362.547 2.723 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H](OC(C)C)C1 ZINC001352493978 1055524366 /nfs/dbraw/zinc/52/43/66/1055524366.db2.gz CBEUBNBCOJEOFL-SFHVURJKSA-N 1 2 374.533 2.785 20 30 FFEDLO Cn1c(Cc2ccc(C#N)cc2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001338534084 1055599792 /nfs/dbraw/zinc/59/97/92/1055599792.db2.gz AWSIENDFLNNKRJ-UHFFFAOYSA-N 1 2 373.464 2.753 20 30 FFEDLO COc1ccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1C#N ZINC001352958494 1055974683 /nfs/dbraw/zinc/97/46/83/1055974683.db2.gz BSHQDDCPDFQJFM-CQSZACIVSA-N 1 2 353.426 2.787 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1Cc1c[nH+]ccc1OC ZINC001300299603 1056408026 /nfs/dbraw/zinc/40/80/26/1056408026.db2.gz RSYXOZSEVIVBLX-HNNXBMFYSA-N 1 2 362.437 2.558 20 30 FFEDLO CCn1c(-c2cccc(CC#N)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001339403771 1056417872 /nfs/dbraw/zinc/41/78/72/1056417872.db2.gz IYUSCPYNDBMQDK-UHFFFAOYSA-N 1 2 373.464 2.753 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC001339541927 1056565584 /nfs/dbraw/zinc/56/55/84/1056565584.db2.gz LVACHZZIAHCRAO-QWQRMKEZSA-N 1 2 369.460 2.870 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC001339541927 1056565597 /nfs/dbraw/zinc/56/55/97/1056565597.db2.gz LVACHZZIAHCRAO-QWQRMKEZSA-N 1 2 369.460 2.870 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(C)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001358873921 1056576920 /nfs/dbraw/zinc/57/69/20/1056576920.db2.gz PXVOKQWEUXXVSC-MRXNPFEDSA-N 1 2 352.486 2.868 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001100358755 1056596082 /nfs/dbraw/zinc/59/60/82/1056596082.db2.gz NYRIXGTYUIWPDR-WMZOPIPTSA-N 1 2 360.502 2.832 20 30 FFEDLO C[N@H+](CC(F)F)C1CCN(c2nc(Br)ccc2C#N)CC1 ZINC001339612001 1056637552 /nfs/dbraw/zinc/63/75/52/1056637552.db2.gz ZGUBYLABXWKHHC-UHFFFAOYSA-N 1 2 359.218 2.881 20 30 FFEDLO C[N@@H+](CC(F)F)C1CCN(c2nc(Br)ccc2C#N)CC1 ZINC001339612001 1056637556 /nfs/dbraw/zinc/63/75/56/1056637556.db2.gz ZGUBYLABXWKHHC-UHFFFAOYSA-N 1 2 359.218 2.881 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC001359034961 1056666688 /nfs/dbraw/zinc/66/66/88/1056666688.db2.gz HSCQCJLZBXZKSE-IEBWSBKVSA-N 1 2 371.529 2.506 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3CC)n2C2CC2)CC1 ZINC001359039111 1056670359 /nfs/dbraw/zinc/67/03/59/1056670359.db2.gz XKBQNIAMFMWECE-UHFFFAOYSA-N 1 2 365.481 2.510 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001514420843 1058925143 /nfs/dbraw/zinc/92/51/43/1058925143.db2.gz XREUXMIYYJDNSZ-BRSBDYLESA-N 1 2 370.497 2.641 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001514420843 1058925163 /nfs/dbraw/zinc/92/51/63/1058925163.db2.gz XREUXMIYYJDNSZ-BRSBDYLESA-N 1 2 370.497 2.641 20 30 FFEDLO CN(CC(F)(F)F)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1 ZINC001519701076 1058972615 /nfs/dbraw/zinc/97/26/15/1058972615.db2.gz YMZPPVGAXZPUBO-UHFFFAOYSA-N 1 2 370.423 2.780 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CC2(CC)CCOCC2)CC1 ZINC001300683276 1059318418 /nfs/dbraw/zinc/31/84/18/1059318418.db2.gz YZCBXFSEGDFRLP-GOSISDBHSA-N 1 2 373.545 2.754 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CCCc2ccccc2)CC1 ZINC001300698471 1059395775 /nfs/dbraw/zinc/39/57/75/1059395775.db2.gz SYRPEAIYMDQZHS-UHFFFAOYSA-N 1 2 363.509 2.934 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001515331950 1059564732 /nfs/dbraw/zinc/56/47/32/1059564732.db2.gz OVOGMCKJKVGLJY-SQNIBIBYSA-N 1 2 360.502 2.619 20 30 FFEDLO COCCC(C)(C)C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001520425431 1059676020 /nfs/dbraw/zinc/67/60/20/1059676020.db2.gz SEOURXWJOKTZNC-UHFFFAOYSA-N 1 2 365.495 2.538 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2Cc2cccc(F)c2)CC1 ZINC001507720755 1059699742 /nfs/dbraw/zinc/69/97/42/1059699742.db2.gz FPGJSMCREFSWKF-INIZCTEOSA-N 1 2 355.461 2.734 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CC(=C)Cl)CC1 ZINC001507724190 1059702116 /nfs/dbraw/zinc/70/21/16/1059702116.db2.gz JVVMUWKJZFYIHZ-UHFFFAOYSA-N 1 2 373.863 2.516 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2Cc2cccc(C)c2)CC1 ZINC001507728780 1059702231 /nfs/dbraw/zinc/70/22/31/1059702231.db2.gz ADKIVNSVNXJXDS-UHFFFAOYSA-N 1 2 351.498 2.589 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@@H](C)c1cccc(C#N)c1 ZINC001520596422 1059853510 /nfs/dbraw/zinc/85/35/10/1059853510.db2.gz OANRQOHBMSLICO-HNNXBMFYSA-N 1 2 361.453 2.857 20 30 FFEDLO CN(Cc1ccc(F)c(F)c1)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001355481002 1060276648 /nfs/dbraw/zinc/27/66/48/1060276648.db2.gz UXFVPZWFVIXDJW-UHFFFAOYSA-N 1 2 374.439 2.823 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](Cn1c(C)nnc1N1CCC[C@@](C)(C#N)C1)CCC2 ZINC001511423802 1060345112 /nfs/dbraw/zinc/34/51/12/1060345112.db2.gz PONFZTGGQLSWKK-APWZRJJASA-N 1 2 353.474 2.799 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H]2C)CCCCC1 ZINC001521146527 1060430702 /nfs/dbraw/zinc/43/07/02/1060430702.db2.gz XTGKQQMEHNZZJK-WBVHZDCISA-N 1 2 358.486 2.584 20 30 FFEDLO Cn1cc(C#N)c(NC(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)n1 ZINC001517547250 1060543480 /nfs/dbraw/zinc/54/34/80/1060543480.db2.gz HNGKGJHRGRGXMT-ZDUSSCGKSA-N 1 2 355.446 2.655 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1C ZINC001355734075 1060545387 /nfs/dbraw/zinc/54/53/87/1060545387.db2.gz JZFFSMDFPULUHY-RDJZCZTQSA-N 1 2 373.526 2.995 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1C ZINC001355734075 1060545405 /nfs/dbraw/zinc/54/54/05/1060545405.db2.gz JZFFSMDFPULUHY-RDJZCZTQSA-N 1 2 373.526 2.995 20 30 FFEDLO N#Cc1cc(C(F)(F)F)cc(N(CC[NH+]2CCOCC2)CC2CC2)n1 ZINC001458501850 1060608281 /nfs/dbraw/zinc/60/82/81/1060608281.db2.gz ZVYJMWFZQXDIHE-UHFFFAOYSA-N 1 2 354.376 2.521 20 30 FFEDLO N#Cc1ccc(N2CC[NH+]([C@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC001460638580 1061044365 /nfs/dbraw/zinc/04/43/65/1061044365.db2.gz NUHODDLQZKIWDF-NRFANRHFSA-N 1 2 360.461 2.700 20 30 FFEDLO Cc1c(Cl)ccc2c1C[N@H+](Cc1cc(=O)n3ncc(C#N)c3[nH]1)CC2 ZINC001460665596 1061055216 /nfs/dbraw/zinc/05/52/16/1061055216.db2.gz HXWQQIOLGNSECR-UHFFFAOYSA-N 1 2 353.813 2.827 20 30 FFEDLO Cc1c(Cl)ccc2c1C[N@@H+](Cc1cc(=O)n3ncc(C#N)c3[nH]1)CC2 ZINC001460665596 1061055231 /nfs/dbraw/zinc/05/52/31/1061055231.db2.gz HXWQQIOLGNSECR-UHFFFAOYSA-N 1 2 353.813 2.827 20 30 FFEDLO N#Cc1ccc(-n2ccc(NC(=O)NCCCn3cc[nH+]c3)n2)c(Cl)c1 ZINC000543883749 1061084021 /nfs/dbraw/zinc/08/40/21/1061084021.db2.gz BKHYAFRJWJTHPO-UHFFFAOYSA-N 1 2 369.816 2.806 20 30 FFEDLO N#CCc1ccc(C[N@@H+]2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 ZINC001460960448 1061167076 /nfs/dbraw/zinc/16/70/76/1061167076.db2.gz KLTVTUSFTYDWDB-HOTGVXAUSA-N 1 2 372.412 2.694 20 30 FFEDLO N#CCc1ccc(C[N@H+]2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 ZINC001460960448 1061167084 /nfs/dbraw/zinc/16/70/84/1061167084.db2.gz KLTVTUSFTYDWDB-HOTGVXAUSA-N 1 2 372.412 2.694 20 30 FFEDLO N#Cc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC001461014430 1061186622 /nfs/dbraw/zinc/18/66/22/1061186622.db2.gz ZHVFTYDKCJQVPM-UHFFFAOYSA-N 1 2 353.363 2.644 20 30 FFEDLO Cc1cnc(F)cc1C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001526992816 1061350237 /nfs/dbraw/zinc/35/02/37/1061350237.db2.gz OBEJBNYABSOUJU-UHFFFAOYSA-N 1 2 374.437 2.631 20 30 FFEDLO CCn1c[nH+]cc1COC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC001527008384 1061357754 /nfs/dbraw/zinc/35/77/54/1061357754.db2.gz VYBYSNDSWAPYEY-UHFFFAOYSA-N 1 2 354.410 2.673 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)nn1 ZINC001461590329 1061358475 /nfs/dbraw/zinc/35/84/75/1061358475.db2.gz PADSPFRTFWRGMK-MRXNPFEDSA-N 1 2 370.375 2.966 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2CCCC[N@H+]2C)n1Cc1cc(C)on1 ZINC001528340810 1061870144 /nfs/dbraw/zinc/87/01/44/1061870144.db2.gz IYZJGGGSQMTZHX-MSOLQXFVSA-N 1 2 368.485 2.772 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2CCCC[N@@H+]2C)n1Cc1cc(C)on1 ZINC001528340810 1061870161 /nfs/dbraw/zinc/87/01/61/1061870161.db2.gz IYZJGGGSQMTZHX-MSOLQXFVSA-N 1 2 368.485 2.772 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001522368920 1062040619 /nfs/dbraw/zinc/04/06/19/1062040619.db2.gz FSJFOBAKZYYRQC-FTRWYGJKSA-N 1 2 358.486 2.544 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc([C@@]3(C)C[C@@H](O)C[N@H+]3C)n2CC(=C)C)C1 ZINC001523777140 1062617588 /nfs/dbraw/zinc/61/75/88/1062617588.db2.gz IIFJRWJJLKHMMR-MBOZVWFJSA-N 1 2 359.518 2.558 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc([C@@]3(C)C[C@@H](O)C[N@@H+]3C)n2CC(=C)C)C1 ZINC001523777140 1062617600 /nfs/dbraw/zinc/61/76/00/1062617600.db2.gz IIFJRWJJLKHMMR-MBOZVWFJSA-N 1 2 359.518 2.558 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1C[C@@H](C)OC2(CCCC2)C1 ZINC001523797146 1062628401 /nfs/dbraw/zinc/62/84/01/1062628401.db2.gz SNAIVPDRCGKTBU-QGZVFWFLSA-N 1 2 359.518 2.988 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3nocc3C)[C@@H]2CC)CCOCC1 ZINC001479644902 1062707576 /nfs/dbraw/zinc/70/75/76/1062707576.db2.gz DXGAFOSNZFUXEN-FUHWJXTLSA-N 1 2 361.486 2.825 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3nocc3C)[C@@H]2CC)CCOCC1 ZINC001479644902 1062707594 /nfs/dbraw/zinc/70/75/94/1062707594.db2.gz DXGAFOSNZFUXEN-FUHWJXTLSA-N 1 2 361.486 2.825 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)s2)[C@H]1C ZINC001479731497 1062980348 /nfs/dbraw/zinc/98/03/48/1062980348.db2.gz WXIAVHMTRLKGGE-KGLIPLIRSA-N 1 2 367.490 2.504 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(F)s2)[C@H]1C ZINC001479731497 1062980373 /nfs/dbraw/zinc/98/03/73/1062980373.db2.gz WXIAVHMTRLKGGE-KGLIPLIRSA-N 1 2 367.490 2.504 20 30 FFEDLO CC(C)Cn1c(CCCC#N)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001524925465 1063053795 /nfs/dbraw/zinc/05/37/95/1063053795.db2.gz BIVFKAXFSSJRHG-UHFFFAOYSA-N 1 2 353.474 2.502 20 30 FFEDLO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001498386613 1063814324 /nfs/dbraw/zinc/81/43/24/1063814324.db2.gz GDGFIJVXUWPGDI-PNHOKKKMSA-N 1 2 366.440 2.833 20 30 FFEDLO C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001498386613 1063814335 /nfs/dbraw/zinc/81/43/35/1063814335.db2.gz GDGFIJVXUWPGDI-PNHOKKKMSA-N 1 2 366.440 2.833 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@@H](C(=O)OC)c2ccccc2)cc1 ZINC001473245990 1065229558 /nfs/dbraw/zinc/22/95/58/1065229558.db2.gz ZOUIIRWMDLOQKP-HXUWFJFHSA-N 1 2 350.418 2.843 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@H+](C)[C@@H](C(=O)OC)c2ccccc2)cc1 ZINC001473245990 1065229562 /nfs/dbraw/zinc/22/95/62/1065229562.db2.gz ZOUIIRWMDLOQKP-HXUWFJFHSA-N 1 2 350.418 2.843 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](c2ncccn2)C1 ZINC001473834123 1065384130 /nfs/dbraw/zinc/38/41/30/1065384130.db2.gz PHNNJYSJKNSHJE-STQMWFEESA-N 1 2 367.478 2.715 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](c2ncccn2)C1 ZINC001473834123 1065384138 /nfs/dbraw/zinc/38/41/38/1065384138.db2.gz PHNNJYSJKNSHJE-STQMWFEESA-N 1 2 367.478 2.715 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@@H]2C[C@@H]21 ZINC001473856139 1065392014 /nfs/dbraw/zinc/39/20/14/1065392014.db2.gz ZOIPPNLRTADURS-SJORKVTESA-N 1 2 370.453 2.580 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@@H]2C[C@@H]21 ZINC001473856139 1065392017 /nfs/dbraw/zinc/39/20/17/1065392017.db2.gz ZOIPPNLRTADURS-SJORKVTESA-N 1 2 370.453 2.580 20 30 FFEDLO C=CCC1(C(=O)N(CC)CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001581123910 1078919734 /nfs/dbraw/zinc/91/97/34/1078919734.db2.gz HSLDMWSXOVHQOV-HZPDHXFCSA-N 1 2 358.486 2.614 20 30 FFEDLO C=CCC1(C(=O)N(CC)CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001581123910 1078919736 /nfs/dbraw/zinc/91/97/36/1078919736.db2.gz HSLDMWSXOVHQOV-HZPDHXFCSA-N 1 2 358.486 2.614 20 30 FFEDLO C=C(C)CCC(=O)N1CCC(CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001581832753 1079003022 /nfs/dbraw/zinc/00/30/22/1079003022.db2.gz DZGZPHHHMYSNBG-IAGOWNOFSA-N 1 2 358.486 2.567 20 30 FFEDLO C=C(C)CCC(=O)N1CCC(CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001581832753 1079003030 /nfs/dbraw/zinc/00/30/30/1079003030.db2.gz DZGZPHHHMYSNBG-IAGOWNOFSA-N 1 2 358.486 2.567 20 30 FFEDLO CN(CCCNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1cccc[nH+]1 ZINC001558088191 1075940305 /nfs/dbraw/zinc/94/03/05/1075940305.db2.gz PSPDVXKOPYADFH-LJQANCHMSA-N 1 2 363.465 2.565 20 30 FFEDLO CC[C@H](C[NH+]1CCOCC1)Nc1cc(Br)c(C#N)cc1F ZINC001559283377 1076145423 /nfs/dbraw/zinc/14/54/23/1076145423.db2.gz GOYHIINFUFFVHN-GFCCVEGCSA-N 1 2 356.239 2.983 20 30 FFEDLO N#CCc1ccc(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC001563420248 1076553675 /nfs/dbraw/zinc/55/36/75/1076553675.db2.gz DXWTUCRZHBQUOW-UHFFFAOYSA-N 1 2 359.433 2.997 20 30 FFEDLO CC(C)(C)C#CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2noc(C3CCC3)n2)C1 ZINC001565894955 1076786093 /nfs/dbraw/zinc/78/60/93/1076786093.db2.gz ZIDUGBFAANYXNO-GOEBONIOSA-N 1 2 358.486 2.761 20 30 FFEDLO CC#CCCCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnsc2Cl)C1 ZINC001565905359 1076792197 /nfs/dbraw/zinc/79/21/97/1076792197.db2.gz LWJGYYBZQBXEDE-QWHCGFSZSA-N 1 2 354.907 2.760 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)(C)C ZINC001572524910 1077333069 /nfs/dbraw/zinc/33/30/69/1077333069.db2.gz JSFMROKBVSWGLB-FMKPAKJESA-N 1 2 360.502 2.763 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)(C)C ZINC001572524910 1077333075 /nfs/dbraw/zinc/33/30/75/1077333075.db2.gz JSFMROKBVSWGLB-FMKPAKJESA-N 1 2 360.502 2.763 20 30 FFEDLO C=CCCC(=O)N[C@@H]1CC[C@H](CNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001573185270 1077571981 /nfs/dbraw/zinc/57/19/81/1077571981.db2.gz YFTRVEYHLFNTOA-DLBZAZTESA-N 1 2 368.481 2.553 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H]1C ZINC001573496344 1077716814 /nfs/dbraw/zinc/71/68/14/1077716814.db2.gz PRTBXYVEUCHJGM-KURKYZTESA-N 1 2 358.486 2.524 20 30 FFEDLO C=CCCCC(=O)NC[C@@]1(C)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001586195612 1079571407 /nfs/dbraw/zinc/57/14/07/1079571407.db2.gz HTXHWNQXNGFFFU-JXXFODFXSA-N 1 2 358.486 2.614 20 30 FFEDLO C=CCCCC(=O)NC[C@@]1(C)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001586195612 1079571414 /nfs/dbraw/zinc/57/14/14/1079571414.db2.gz HTXHWNQXNGFFFU-JXXFODFXSA-N 1 2 358.486 2.614 20 30 FFEDLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 ZINC001587855711 1079879039 /nfs/dbraw/zinc/87/90/39/1079879039.db2.gz NZDRBMCVTAQEKK-HXUWFJFHSA-N 1 2 362.429 2.906 20 30 FFEDLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 ZINC001587855711 1079879042 /nfs/dbraw/zinc/87/90/42/1079879042.db2.gz NZDRBMCVTAQEKK-HXUWFJFHSA-N 1 2 362.429 2.906 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccccc1 ZINC001588425667 1080023680 /nfs/dbraw/zinc/02/36/80/1080023680.db2.gz OJURYRSNSUSSRA-UHFFFAOYSA-N 1 2 368.466 2.945 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccccc1 ZINC001588425667 1080023690 /nfs/dbraw/zinc/02/36/90/1080023690.db2.gz OJURYRSNSUSSRA-UHFFFAOYSA-N 1 2 368.466 2.945 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2Cc2cccc(OCC)c2)CC1 ZINC001588741720 1080177625 /nfs/dbraw/zinc/17/76/25/1080177625.db2.gz HEIWPKRHCDTWLK-UHFFFAOYSA-N 1 2 367.497 2.604 20 30 FFEDLO C[C@@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000022352985 249331888 /nfs/dbraw/zinc/33/18/88/249331888.db2.gz NZVDWZWVIFECTG-INIZCTEOSA-N 1 2 355.463 2.626 20 30 FFEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000022778965 211362678 /nfs/dbraw/zinc/36/26/78/211362678.db2.gz RINMJKLTPUCFEN-UHFFFAOYSA-N 1 2 351.450 2.893 20 30 FFEDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000275649030 256034369 /nfs/dbraw/zinc/03/43/69/256034369.db2.gz OFPRIEPBSLMEAC-GFOMBABLSA-N 1 2 362.433 2.712 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3noc4c3CCCCC4)CC2)cc1 ZINC000275467035 256011364 /nfs/dbraw/zinc/01/13/64/256011364.db2.gz LDKOWXBUCWJTBH-UHFFFAOYSA-N 1 2 364.449 2.773 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(C(N)=O)c3)CC2)c(Cl)c1 ZINC000277628675 256219839 /nfs/dbraw/zinc/21/98/39/256219839.db2.gz BBAGHVNDSLBDCU-UHFFFAOYSA-N 1 2 354.841 2.633 20 30 FFEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1ccc(C#N)cc1Br ZINC000286178634 257024010 /nfs/dbraw/zinc/02/40/10/257024010.db2.gz XAHVGEYKQPFBCI-XJKSGUPXSA-N 1 2 364.287 2.616 20 30 FFEDLO COCCOC1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000287639677 257099988 /nfs/dbraw/zinc/09/99/88/257099988.db2.gz GDBAAOZDVHALGV-UHFFFAOYSA-N 1 2 353.260 2.948 20 30 FFEDLO Cn1c2ccc(CNS(=O)(=O)c3ccccc3C#N)cc2[nH+]c1C1CC1 ZINC000289048123 257251850 /nfs/dbraw/zinc/25/18/50/257251850.db2.gz DFTSRVYJYAVBAH-UHFFFAOYSA-N 1 2 366.446 2.801 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(C#N)c1C ZINC000290019101 257311563 /nfs/dbraw/zinc/31/15/63/257311563.db2.gz VADMWQMIEIRHGE-RISCZKNCSA-N 1 2 361.833 2.892 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(C#N)c1C ZINC000290019101 257311564 /nfs/dbraw/zinc/31/15/64/257311564.db2.gz VADMWQMIEIRHGE-RISCZKNCSA-N 1 2 361.833 2.892 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2c2cccc(F)c2)nc1 ZINC000290238673 257321802 /nfs/dbraw/zinc/32/18/02/257321802.db2.gz JBAZAXRQSQMMSX-QGZVFWFLSA-N 1 2 359.426 2.703 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2c2cccc(F)c2)nc1 ZINC000290238673 257321803 /nfs/dbraw/zinc/32/18/03/257321803.db2.gz JBAZAXRQSQMMSX-QGZVFWFLSA-N 1 2 359.426 2.703 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC1 ZINC000294072447 257572733 /nfs/dbraw/zinc/57/27/33/257572733.db2.gz HVUANEGADANWQT-INIZCTEOSA-N 1 2 363.465 2.538 20 30 FFEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000301140734 258028473 /nfs/dbraw/zinc/02/84/73/258028473.db2.gz AZOHECNGPUDOJM-HZPDHXFCSA-N 1 2 374.916 2.838 20 30 FFEDLO COc1ccc(OC)c(C[NH+]2CCN(c3c(C#N)cccc3C#N)CC2)c1 ZINC000302435907 258101942 /nfs/dbraw/zinc/10/19/42/258101942.db2.gz MGLLRLJJERZCQN-UHFFFAOYSA-N 1 2 362.433 2.769 20 30 FFEDLO N#Cc1ccnc(NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1[N+](=O)[O-] ZINC000302644516 258107080 /nfs/dbraw/zinc/10/70/80/258107080.db2.gz IWROJHOXZWZUOS-UHFFFAOYSA-N 1 2 357.801 2.985 20 30 FFEDLO N#Cc1ccnc(NCC[N@H+]2CCc3c(Cl)cccc3C2)c1[N+](=O)[O-] ZINC000302644516 258107081 /nfs/dbraw/zinc/10/70/81/258107081.db2.gz IWROJHOXZWZUOS-UHFFFAOYSA-N 1 2 357.801 2.985 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc4c3CCO4)CC2)cc1 ZINC000333194832 258255237 /nfs/dbraw/zinc/25/52/37/258255237.db2.gz WVMKCSPPIRSALT-UHFFFAOYSA-N 1 2 362.433 2.843 20 30 FFEDLO CCCCN(C)C(=O)C1CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000053241608 506340429 /nfs/dbraw/zinc/34/04/29/506340429.db2.gz CFTORDOSHGOZNC-UHFFFAOYSA-N 1 2 374.485 2.677 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000368966344 512160853 /nfs/dbraw/zinc/16/08/53/512160853.db2.gz YRCNIHSPHWTMEV-KRWDZBQOSA-N 1 2 364.449 2.898 20 30 FFEDLO N#Cc1cccc(NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000054001800 506475796 /nfs/dbraw/zinc/47/57/96/506475796.db2.gz JJCOVNKUVDFGQI-LJQANCHMSA-N 1 2 350.422 2.753 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NCC[NH+]2Cc3ccccc3C2)cc1Cl ZINC000066446730 506522336 /nfs/dbraw/zinc/52/23/36/506522336.db2.gz DOPXJCGVJWZIGQ-UHFFFAOYSA-N 1 2 361.854 2.506 20 30 FFEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(Cc3ccc(F)cc3C#N)CC2)C1 ZINC000066566477 506556762 /nfs/dbraw/zinc/55/67/62/506556762.db2.gz AIPSVFJCWCUNIM-OXQOHEQNSA-N 1 2 372.488 2.510 20 30 FFEDLO Cc1nc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)sc1C ZINC000043551229 506758708 /nfs/dbraw/zinc/75/87/08/506758708.db2.gz SZGQZUDNTFCMGC-UHFFFAOYSA-N 1 2 355.467 2.981 20 30 FFEDLO C=CC[N@H+](CCC(=O)Nc1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000067400027 506864648 /nfs/dbraw/zinc/86/46/48/506864648.db2.gz YNFKJEAGVVJCCD-KRWDZBQOSA-N 1 2 372.490 2.844 20 30 FFEDLO C=CC[N@@H+](CCC(=O)Nc1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000067400027 506864650 /nfs/dbraw/zinc/86/46/50/506864650.db2.gz YNFKJEAGVVJCCD-KRWDZBQOSA-N 1 2 372.490 2.844 20 30 FFEDLO N#Cc1cccc(NC(=O)CN2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000046082985 507075344 /nfs/dbraw/zinc/07/53/44/507075344.db2.gz KZLLXVJBUMRPOO-WEVVVXLNSA-N 1 2 360.461 2.828 20 30 FFEDLO C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367057440 512318251 /nfs/dbraw/zinc/31/82/51/512318251.db2.gz JNXFYPWTGXBXRT-QGZVFWFLSA-N 1 2 360.461 2.917 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)COc1ccc(C#N)cc1)c1ccccc1F ZINC000018236837 507146706 /nfs/dbraw/zinc/14/67/06/507146706.db2.gz SASMUTAOBCZAOR-LJQANCHMSA-N 1 2 364.380 2.715 20 30 FFEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000046526441 507149600 /nfs/dbraw/zinc/14/96/00/507149600.db2.gz FESSVKMAFXYFTO-UHFFFAOYSA-N 1 2 350.447 2.977 20 30 FFEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000046526441 507149606 /nfs/dbraw/zinc/14/96/06/507149606.db2.gz FESSVKMAFXYFTO-UHFFFAOYSA-N 1 2 350.447 2.977 20 30 FFEDLO C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367068308 512322838 /nfs/dbraw/zinc/32/28/38/512322838.db2.gz WTVURGBQEJOMCX-GOSISDBHSA-N 1 2 362.477 2.986 20 30 FFEDLO N#Cc1c(Cl)nsc1N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000047405388 507324317 /nfs/dbraw/zinc/32/43/17/507324317.db2.gz GZYYFVSIMFKACD-UHFFFAOYSA-N 1 2 358.858 2.638 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000057844687 507339503 /nfs/dbraw/zinc/33/95/03/507339503.db2.gz UODNCDHCLCRKEH-LBPRGKRZSA-N 1 2 365.359 2.776 20 30 FFEDLO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023258234 507343597 /nfs/dbraw/zinc/34/35/97/507343597.db2.gz PZODMJAWNYTGPL-NQIIRXRSSA-N 1 2 368.525 2.855 20 30 FFEDLO CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258234 507343603 /nfs/dbraw/zinc/34/36/03/507343603.db2.gz PZODMJAWNYTGPL-NQIIRXRSSA-N 1 2 368.525 2.855 20 30 FFEDLO C=CC[N@H+](CC(=O)NC[C@H]1COc2ccccc2O1)Cc1cccs1 ZINC000058053445 507368281 /nfs/dbraw/zinc/36/82/81/507368281.db2.gz XQBLHUMXJNACQR-HNNXBMFYSA-N 1 2 358.463 2.692 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC[C@H]1COc2ccccc2O1)Cc1cccs1 ZINC000058053445 507368289 /nfs/dbraw/zinc/36/82/89/507368289.db2.gz XQBLHUMXJNACQR-HNNXBMFYSA-N 1 2 358.463 2.692 20 30 FFEDLO COCC[N@H+](CC(=O)N[C@@H](C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000069072199 507397690 /nfs/dbraw/zinc/39/76/90/507397690.db2.gz KZBANUOHULYXDU-KRWDZBQOSA-N 1 2 351.450 2.884 20 30 FFEDLO COCC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000069072199 507397701 /nfs/dbraw/zinc/39/77/01/507397701.db2.gz KZBANUOHULYXDU-KRWDZBQOSA-N 1 2 351.450 2.884 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(F)cc4nc[nH]c43)CC2)cc1 ZINC000048244952 507487696 /nfs/dbraw/zinc/48/76/96/507487696.db2.gz VJZPRKVKQVTFND-UHFFFAOYSA-N 1 2 363.396 2.532 20 30 FFEDLO N#Cc1ccc(F)c(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000025436144 507500235 /nfs/dbraw/zinc/50/02/35/507500235.db2.gz YSRVQZMTEAILQK-UHFFFAOYSA-N 1 2 367.424 2.786 20 30 FFEDLO N#Cc1ccccc1OCC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000026216055 507567505 /nfs/dbraw/zinc/56/75/05/507567505.db2.gz WXEAYTLGQKYJIY-UHFFFAOYSA-N 1 2 360.417 2.541 20 30 FFEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000026324456 507576895 /nfs/dbraw/zinc/57/68/95/507576895.db2.gz GRKZORBZVQTADR-UHFFFAOYSA-N 1 2 350.447 2.977 20 30 FFEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000026324456 507576905 /nfs/dbraw/zinc/57/69/05/507576905.db2.gz GRKZORBZVQTADR-UHFFFAOYSA-N 1 2 350.447 2.977 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1cccc(C#N)c1 ZINC000026328838 507579557 /nfs/dbraw/zinc/57/95/57/507579557.db2.gz YQPQNMPFEBVBCH-UHFFFAOYSA-N 1 2 359.227 2.786 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1cccc(C#N)c1 ZINC000026328838 507579562 /nfs/dbraw/zinc/57/95/62/507579562.db2.gz YQPQNMPFEBVBCH-UHFFFAOYSA-N 1 2 359.227 2.786 20 30 FFEDLO C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028961136 507752448 /nfs/dbraw/zinc/75/24/48/507752448.db2.gz PYBIQTFTBSOSFF-RXVVDRJESA-N 1 2 368.525 2.761 20 30 FFEDLO C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028961136 507752454 /nfs/dbraw/zinc/75/24/54/507752454.db2.gz PYBIQTFTBSOSFF-RXVVDRJESA-N 1 2 368.525 2.761 20 30 FFEDLO O=C(C[N@H+]1CCC[C@@H](O)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000029118265 507761700 /nfs/dbraw/zinc/76/17/00/507761700.db2.gz RLZZXDJZPXEIGY-CYBMUJFWSA-N 1 2 362.411 2.763 20 30 FFEDLO O=C(C[N@@H+]1CCC[C@@H](O)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000029118265 507761705 /nfs/dbraw/zinc/76/17/05/507761705.db2.gz RLZZXDJZPXEIGY-CYBMUJFWSA-N 1 2 362.411 2.763 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1cc(C(C)(C)C)no1)Cc1ccc(C#N)cc1 ZINC000063754148 507768523 /nfs/dbraw/zinc/76/85/23/507768523.db2.gz UFVAWVFXQGDATL-UHFFFAOYSA-N 1 2 370.453 2.931 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1cc(C(C)(C)C)no1)Cc1ccc(C#N)cc1 ZINC000063754148 507768524 /nfs/dbraw/zinc/76/85/24/507768524.db2.gz UFVAWVFXQGDATL-UHFFFAOYSA-N 1 2 370.453 2.931 20 30 FFEDLO Cc1cccc(OCC[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000029225405 507769772 /nfs/dbraw/zinc/76/97/72/507769772.db2.gz YEDIZIMCNCUXJS-UHFFFAOYSA-N 1 2 352.438 2.933 20 30 FFEDLO CC(C)N(C(=O)[C@@H](C)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1)C(C)C ZINC000029249687 507771321 /nfs/dbraw/zinc/77/13/21/507771321.db2.gz YMACTLNSGNLVAJ-OAHLLOKOSA-N 1 2 373.501 2.580 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)Nc3cccc4ccccc43)CC2)c1 ZINC000029443845 507778024 /nfs/dbraw/zinc/77/80/24/507778024.db2.gz YNZYLGHYKVKWIN-UHFFFAOYSA-N 1 2 371.444 2.867 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029444353 507778298 /nfs/dbraw/zinc/77/82/98/507778298.db2.gz DFVWEMXNSNPHDK-CQSZACIVSA-N 1 2 369.856 2.756 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3sccc3C#N)c[nH+]2)C[C@@H](C)O1 ZINC000052031041 507794490 /nfs/dbraw/zinc/79/44/90/507794490.db2.gz DEPFMIWMADMCPL-CHWSQXEVSA-N 1 2 356.451 2.558 20 30 FFEDLO N#Cc1ccc(CCC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000030703800 507812551 /nfs/dbraw/zinc/81/25/51/507812551.db2.gz DGNUWFINJIQQRD-OAQYLSRUSA-N 1 2 363.461 2.681 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000072650913 507837848 /nfs/dbraw/zinc/83/78/48/507837848.db2.gz TYOCKQKDGBZTBI-INIZCTEOSA-N 1 2 365.433 2.796 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078691778 507898252 /nfs/dbraw/zinc/89/82/52/507898252.db2.gz GSPKVNSPINAUBO-ICSRJNTNSA-N 1 2 354.498 2.682 20 30 FFEDLO COC(=O)CN(CC#N)C(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000090600664 507929695 /nfs/dbraw/zinc/92/96/95/507929695.db2.gz XWEQVDMBIRWRFC-UHFFFAOYSA-N 1 2 368.437 2.609 20 30 FFEDLO Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)[nH+]1 ZINC000074340980 508014038 /nfs/dbraw/zinc/01/40/38/508014038.db2.gz YHHQEEZTVRJENE-VIFPVBQESA-N 1 2 359.480 2.908 20 30 FFEDLO Cc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1Cl ZINC000074394428 508019222 /nfs/dbraw/zinc/01/92/22/508019222.db2.gz WCCUAIQDXUFIJU-UHFFFAOYSA-N 1 2 350.850 2.728 20 30 FFEDLO COc1ccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1OCCCC#N ZINC000091928335 508025383 /nfs/dbraw/zinc/02/53/83/508025383.db2.gz HRUQOMFRVZTGDY-AZUAARDMSA-N 1 2 360.454 2.758 20 30 FFEDLO COc1ccc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1OCCCC#N ZINC000091928335 508025387 /nfs/dbraw/zinc/02/53/87/508025387.db2.gz HRUQOMFRVZTGDY-AZUAARDMSA-N 1 2 360.454 2.758 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(Br)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361119 508064237 /nfs/dbraw/zinc/06/42/37/508064237.db2.gz VQCONDVGJIMFKF-CQSZACIVSA-N 1 2 358.301 2.933 20 30 FFEDLO C=CC[N@H+](Cc1ccc(Br)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361119 508064240 /nfs/dbraw/zinc/06/42/40/508064240.db2.gz VQCONDVGJIMFKF-CQSZACIVSA-N 1 2 358.301 2.933 20 30 FFEDLO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1cc(C#N)cs1 ZINC000092512111 508077561 /nfs/dbraw/zinc/07/75/61/508077561.db2.gz NWAPOXZQGFLBTF-UHFFFAOYSA-N 1 2 364.492 2.924 20 30 FFEDLO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1cc(C#N)cs1 ZINC000092512111 508077562 /nfs/dbraw/zinc/07/75/62/508077562.db2.gz NWAPOXZQGFLBTF-UHFFFAOYSA-N 1 2 364.492 2.924 20 30 FFEDLO N#CCCCCS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000111351380 508092558 /nfs/dbraw/zinc/09/25/58/508092558.db2.gz JPTWCPYYXXQQQC-AWEZNQCLSA-N 1 2 371.453 2.542 20 30 FFEDLO N#CCCCCS(=O)(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000111351380 508092562 /nfs/dbraw/zinc/09/25/62/508092562.db2.gz JPTWCPYYXXQQQC-AWEZNQCLSA-N 1 2 371.453 2.542 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000081211950 508148258 /nfs/dbraw/zinc/14/82/58/508148258.db2.gz SXYKKWCDGBJHMR-UHFFFAOYSA-N 1 2 371.403 2.676 20 30 FFEDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000093887338 508158900 /nfs/dbraw/zinc/15/89/00/508158900.db2.gz QQESMMWNTHZOOX-LJQANCHMSA-N 1 2 356.401 2.551 20 30 FFEDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000093887338 508158902 /nfs/dbraw/zinc/15/89/02/508158902.db2.gz QQESMMWNTHZOOX-LJQANCHMSA-N 1 2 356.401 2.551 20 30 FFEDLO C=C(C)CN(C)C(=O)C(=O)N1CCC(n2c3ccccc3[nH+]c2CC)CC1 ZINC000410811289 512381452 /nfs/dbraw/zinc/38/14/52/512381452.db2.gz NNAPLDFEZOQOTD-UHFFFAOYSA-N 1 2 368.481 2.797 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c(C#N)c1C ZINC000377660832 512382192 /nfs/dbraw/zinc/38/21/92/512382192.db2.gz ACYVFVRGQKCBFK-GDBMZVCRSA-N 1 2 372.469 2.572 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c(C#N)c1C ZINC000377660832 512382198 /nfs/dbraw/zinc/38/21/98/512382198.db2.gz ACYVFVRGQKCBFK-GDBMZVCRSA-N 1 2 372.469 2.572 20 30 FFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)C2 ZINC000112665616 508207129 /nfs/dbraw/zinc/20/71/29/508207129.db2.gz FYAGSENSKPJQHF-CQSZACIVSA-N 1 2 352.438 2.767 20 30 FFEDLO Cc1nc(SCC(=O)NC[C@@H](C)Cn2cc[nH+]c2)c(C#N)c(C)c1C ZINC000081801372 508212982 /nfs/dbraw/zinc/21/29/82/508212982.db2.gz NHSQUJOTFOZNBS-GFCCVEGCSA-N 1 2 357.483 2.620 20 30 FFEDLO C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101728750 508255351 /nfs/dbraw/zinc/25/53/51/508255351.db2.gz KRNJKCRLEUKGCR-SFHVURJKSA-N 1 2 374.488 2.654 20 30 FFEDLO N#Cc1cc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)ccc1F ZINC000114795129 508347883 /nfs/dbraw/zinc/34/78/83/508347883.db2.gz AMINRHGWAKODRS-IBGZPJMESA-N 1 2 353.397 2.834 20 30 FFEDLO N#Cc1ccc(Oc2cccc(NC(=O)NCC[NH+]3CCOCC3)c2)cc1 ZINC000105039876 508358603 /nfs/dbraw/zinc/35/86/03/508358603.db2.gz BBNFWALBUZYEBF-UHFFFAOYSA-N 1 2 366.421 2.804 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)NCCCNc1cccc[nH+]1 ZINC000115160332 508373159 /nfs/dbraw/zinc/37/31/59/508373159.db2.gz NCRJKZXBOVYHLA-UHFFFAOYSA-N 1 2 368.437 2.739 20 30 FFEDLO COc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000088524848 508374563 /nfs/dbraw/zinc/37/45/63/508374563.db2.gz QXQOVGZKJXJKLD-LJQANCHMSA-N 1 2 366.421 2.986 20 30 FFEDLO C=C(Cl)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000077790857 508374837 /nfs/dbraw/zinc/37/48/37/508374837.db2.gz JBPVBUVHPRVGJD-OAHLLOKOSA-N 1 2 364.833 2.578 20 30 FFEDLO CC(C)c1[nH+]c2c(n1C)CCN([C@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000106370305 508400017 /nfs/dbraw/zinc/40/00/17/508400017.db2.gz ZWJIHXKCILFNCM-OAHLLOKOSA-N 1 2 357.502 2.633 20 30 FFEDLO C=CCC(CC=C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000121755153 508411057 /nfs/dbraw/zinc/41/10/57/508411057.db2.gz YBNHKWOIQNQXBL-UHFFFAOYSA-N 1 2 355.482 2.974 20 30 FFEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)C(N)=O)cc1 ZINC000115597422 508416543 /nfs/dbraw/zinc/41/65/43/508416543.db2.gz WSYRLEQLRBZWDV-IBGZPJMESA-N 1 2 350.422 2.591 20 30 FFEDLO Cc1cccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1C#N ZINC000156579082 508443819 /nfs/dbraw/zinc/44/38/19/508443819.db2.gz HJPVHLVWTHIYQD-UHFFFAOYSA-N 1 2 370.478 2.731 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000134144642 508499162 /nfs/dbraw/zinc/49/91/62/508499162.db2.gz XIMNAXQWNYHJSH-AWEZNQCLSA-N 1 2 365.424 2.814 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000134144642 508499164 /nfs/dbraw/zinc/49/91/64/508499164.db2.gz XIMNAXQWNYHJSH-AWEZNQCLSA-N 1 2 365.424 2.814 20 30 FFEDLO COCCCOC1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000122450608 508537077 /nfs/dbraw/zinc/53/70/77/508537077.db2.gz RMUJEBSWPZJHEQ-AWEZNQCLSA-N 1 2 363.458 2.613 20 30 FFEDLO CCN(CCC#N)C(=O)CN1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000122469086 508539964 /nfs/dbraw/zinc/53/99/64/508539964.db2.gz OEILNJNZABJXSS-INIZCTEOSA-N 1 2 362.905 2.781 20 30 FFEDLO CCN(CCC#N)C(=O)C[NH+]1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000122469086 508539967 /nfs/dbraw/zinc/53/99/67/508539967.db2.gz OEILNJNZABJXSS-INIZCTEOSA-N 1 2 362.905 2.781 20 30 FFEDLO Cc1nc(N2CC[NH+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)sc1C ZINC000157451332 508567517 /nfs/dbraw/zinc/56/75/17/508567517.db2.gz YKIWDGYDIGIPPV-CQSZACIVSA-N 1 2 369.494 2.781 20 30 FFEDLO Cc1cccn2cc(-c3ccc(NC(=O)C(=O)N[C@@H](C)CC#N)cc3)[nH+]c12 ZINC000122804229 508589735 /nfs/dbraw/zinc/58/97/35/508589735.db2.gz QCBFMLPROATCOE-AWEZNQCLSA-N 1 2 361.405 2.667 20 30 FFEDLO O=C1[C@H]([N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CCN1CC(F)(F)F ZINC000117353456 508594390 /nfs/dbraw/zinc/59/43/90/508594390.db2.gz RZZCQPGTVRJSEG-SSDOTTSWSA-N 1 2 372.231 2.966 20 30 FFEDLO O=C1[C@H]([N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CCN1CC(F)(F)F ZINC000117353456 508594393 /nfs/dbraw/zinc/59/43/93/508594393.db2.gz RZZCQPGTVRJSEG-SSDOTTSWSA-N 1 2 372.231 2.966 20 30 FFEDLO N#C[C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CCN1Cc1ccccc1 ZINC000117672131 508611838 /nfs/dbraw/zinc/61/18/38/508611838.db2.gz NNMWPZVIXHYZHN-NRFANRHFSA-N 1 2 371.444 2.722 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000117892483 508622164 /nfs/dbraw/zinc/62/21/64/508622164.db2.gz MINSOBSDAKQCCR-SFHVURJKSA-N 1 2 371.481 2.607 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000117892483 508622167 /nfs/dbraw/zinc/62/21/67/508622167.db2.gz MINSOBSDAKQCCR-SFHVURJKSA-N 1 2 371.481 2.607 20 30 FFEDLO CCc1cccc(C)c1NC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158200494 508671122 /nfs/dbraw/zinc/67/11/22/508671122.db2.gz WJOMBWBZWYFRKM-UHFFFAOYSA-N 1 2 353.422 2.768 20 30 FFEDLO N#Cc1ccc(OC2C[NH+](C[C@@H](O)COCc3ccc(Cl)cc3)C2)cc1 ZINC000158568366 508722394 /nfs/dbraw/zinc/72/23/94/508722394.db2.gz MXBOCLGMODGYJY-GOSISDBHSA-N 1 2 372.852 2.852 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000154774435 508852853 /nfs/dbraw/zinc/85/28/53/508852853.db2.gz XTIYQBNVBNDLLZ-UHFFFAOYSA-N 1 2 373.888 2.778 20 30 FFEDLO C#CCOc1ccc(F)cc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000130924422 508865750 /nfs/dbraw/zinc/86/57/50/508865750.db2.gz ASTGRXRMSVCBDQ-MRXNPFEDSA-N 1 2 355.369 2.918 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159669624 508873940 /nfs/dbraw/zinc/87/39/40/508873940.db2.gz GBKWMGGCYVPPCJ-HTAPYJJXSA-N 1 2 367.493 2.891 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159669624 508873943 /nfs/dbraw/zinc/87/39/43/508873943.db2.gz GBKWMGGCYVPPCJ-HTAPYJJXSA-N 1 2 367.493 2.891 20 30 FFEDLO CC1CCC(NC(=O)C[NH+]2CCN(Cc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000119887556 508883345 /nfs/dbraw/zinc/88/33/45/508883345.db2.gz HZWLQDGNZHLQHO-UHFFFAOYSA-N 1 2 372.488 2.510 20 30 FFEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000159907174 508908898 /nfs/dbraw/zinc/90/88/98/508908898.db2.gz LMMJVKQQSINHRR-CYBMUJFWSA-N 1 2 372.387 2.721 20 30 FFEDLO CC(C)[N@H+](CCc1nccs1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000159958470 508917766 /nfs/dbraw/zinc/91/77/66/508917766.db2.gz PGINHIFXJYLZTE-UHFFFAOYSA-N 1 2 363.508 2.742 20 30 FFEDLO CC(C)[N@@H+](CCc1nccs1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000159958470 508917769 /nfs/dbraw/zinc/91/77/69/508917769.db2.gz PGINHIFXJYLZTE-UHFFFAOYSA-N 1 2 363.508 2.742 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000120365935 508982189 /nfs/dbraw/zinc/98/21/89/508982189.db2.gz PUGLWPYKNMIDFE-KRWDZBQOSA-N 1 2 366.465 2.930 20 30 FFEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(Cc3ccc(F)c(C#N)c3)CC2)C1 ZINC000120502350 509009411 /nfs/dbraw/zinc/00/94/11/509009411.db2.gz DXBBWJVWVODPES-VQIMIIECSA-N 1 2 372.488 2.510 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N(CCC#N)CC(C)(C)C)CC2 ZINC000151558683 509042942 /nfs/dbraw/zinc/04/29/42/509042942.db2.gz YGDTZJQVWIBNRF-UHFFFAOYSA-N 1 2 373.497 2.850 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N(CCC#N)CC(C)(C)C)CC2 ZINC000151558683 509042944 /nfs/dbraw/zinc/04/29/44/509042944.db2.gz YGDTZJQVWIBNRF-UHFFFAOYSA-N 1 2 373.497 2.850 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000151688283 509066878 /nfs/dbraw/zinc/06/68/78/509066878.db2.gz POEAEDRFCNFCKX-KRWDZBQOSA-N 1 2 364.449 2.898 20 30 FFEDLO C[C@@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)[NH+]1CCSCC1 ZINC000151904294 509107710 /nfs/dbraw/zinc/10/77/10/509107710.db2.gz YWJKCNQPLCQLBP-FZMZJTMJSA-N 1 2 368.300 2.567 20 30 FFEDLO Cc1cc(C#N)ccc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000161716049 509147152 /nfs/dbraw/zinc/14/71/52/509147152.db2.gz DGIYHLJMYOZYTD-HZPDHXFCSA-N 1 2 364.449 2.805 20 30 FFEDLO COC(=O)c1coc(CO[NH+]=C(N)c2cc(Cl)c(OC)c(OC)c2)c1 ZINC000263933050 509234100 /nfs/dbraw/zinc/23/41/00/509234100.db2.gz WRWWHXBNGYDJFX-UHFFFAOYSA-N 1 2 368.773 2.574 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000248243564 509262838 /nfs/dbraw/zinc/26/28/38/509262838.db2.gz IJAKDCSMPDUFPZ-UHFFFAOYSA-N 1 2 357.498 2.568 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000248243564 509262845 /nfs/dbraw/zinc/26/28/45/509262845.db2.gz IJAKDCSMPDUFPZ-UHFFFAOYSA-N 1 2 357.498 2.568 20 30 FFEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000179164420 509297606 /nfs/dbraw/zinc/29/76/06/509297606.db2.gz BDYFZADLRKKCOA-HNNXBMFYSA-N 1 2 351.410 2.752 20 30 FFEDLO N#Cc1cc(Cl)ccc1NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000264046483 509301448 /nfs/dbraw/zinc/30/14/48/509301448.db2.gz ACRNYBNRKYPHDX-UHFFFAOYSA-N 1 2 369.856 2.920 20 30 FFEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192083818 509338039 /nfs/dbraw/zinc/33/80/39/509338039.db2.gz WGYPWDAVASICHZ-UHFFFAOYSA-N 1 2 358.401 2.980 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1ccc(C#N)cc1C ZINC000192243122 509422745 /nfs/dbraw/zinc/42/27/45/509422745.db2.gz FCJZKELNMHNPDX-UHFFFAOYSA-N 1 2 360.483 2.727 20 30 FFEDLO CCCCCCCC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000264313436 509450325 /nfs/dbraw/zinc/45/03/25/509450325.db2.gz ZHSAPMXMMBNEBW-UHFFFAOYSA-N 1 2 360.502 2.760 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000267431885 509478360 /nfs/dbraw/zinc/47/83/60/509478360.db2.gz OBMHLKSSJWACJK-GOEBONIOSA-N 1 2 372.469 2.826 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000267431885 509478363 /nfs/dbraw/zinc/47/83/63/509478363.db2.gz OBMHLKSSJWACJK-GOEBONIOSA-N 1 2 372.469 2.826 20 30 FFEDLO N#CCCN(CCC[N@H+](CCC#N)Cc1ccccn1)Cc1ccccn1 ZINC000267449606 509489916 /nfs/dbraw/zinc/48/99/16/509489916.db2.gz QXJGIBXDOJPUAQ-UHFFFAOYSA-N 1 2 362.481 2.998 20 30 FFEDLO N#CCCN(CCC[N@@H+](CCC#N)Cc1ccccn1)Cc1ccccn1 ZINC000267449606 509489920 /nfs/dbraw/zinc/48/99/20/509489920.db2.gz QXJGIBXDOJPUAQ-UHFFFAOYSA-N 1 2 362.481 2.998 20 30 FFEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1 ZINC000192480014 509536190 /nfs/dbraw/zinc/53/61/90/509536190.db2.gz ADXUFVRVRJPMBE-GOSISDBHSA-N 1 2 372.469 2.576 20 30 FFEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1 ZINC000192480014 509536196 /nfs/dbraw/zinc/53/61/96/509536196.db2.gz ADXUFVRVRJPMBE-GOSISDBHSA-N 1 2 372.469 2.576 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccn(CCC#N)n1)c1cccc(F)c1 ZINC000173340382 509540678 /nfs/dbraw/zinc/54/06/78/509540678.db2.gz NQCGXQZVMCUZEA-MRXNPFEDSA-N 1 2 367.388 2.580 20 30 FFEDLO CSc1ccccc1NC(=O)CN(C)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000179625976 509541903 /nfs/dbraw/zinc/54/19/03/509541903.db2.gz SMKPZRWKYNYNEH-UHFFFAOYSA-N 1 2 365.462 2.998 20 30 FFEDLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000179625976 509541907 /nfs/dbraw/zinc/54/19/07/509541907.db2.gz SMKPZRWKYNYNEH-UHFFFAOYSA-N 1 2 365.462 2.998 20 30 FFEDLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000179625976 509541917 /nfs/dbraw/zinc/54/19/17/509541917.db2.gz SMKPZRWKYNYNEH-UHFFFAOYSA-N 1 2 365.462 2.998 20 30 FFEDLO Cc1nc(C(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)ccc1C#N ZINC000176604702 509608072 /nfs/dbraw/zinc/60/80/72/509608072.db2.gz KCBZSNOMKGUSOP-CXAGYDPISA-N 1 2 370.478 2.515 20 30 FFEDLO Cc1nc(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)ccc1C#N ZINC000176604702 509608080 /nfs/dbraw/zinc/60/80/80/509608080.db2.gz KCBZSNOMKGUSOP-CXAGYDPISA-N 1 2 370.478 2.515 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1Cl ZINC000264595739 509616647 /nfs/dbraw/zinc/61/66/47/509616647.db2.gz IFFXHBRDWJYAMI-GXTWGEPZSA-N 1 2 361.751 2.538 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1Cl ZINC000264595739 509616651 /nfs/dbraw/zinc/61/66/51/509616651.db2.gz IFFXHBRDWJYAMI-GXTWGEPZSA-N 1 2 361.751 2.538 20 30 FFEDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000166871316 509617429 /nfs/dbraw/zinc/61/74/29/509617429.db2.gz SECZQLRJEABZHO-UHFFFAOYSA-N 1 2 355.360 2.652 20 30 FFEDLO CCOC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000166871316 509617434 /nfs/dbraw/zinc/61/74/34/509617434.db2.gz SECZQLRJEABZHO-UHFFFAOYSA-N 1 2 355.360 2.652 20 30 FFEDLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000267847426 509639991 /nfs/dbraw/zinc/63/99/91/509639991.db2.gz VWEAUQBEFKJTCU-HXUWFJFHSA-N 1 2 363.417 2.659 20 30 FFEDLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000267847426 509639996 /nfs/dbraw/zinc/63/99/96/509639996.db2.gz VWEAUQBEFKJTCU-HXUWFJFHSA-N 1 2 363.417 2.659 20 30 FFEDLO Cn1c[nH+]cc1CCC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000192783161 509643501 /nfs/dbraw/zinc/64/35/01/509643501.db2.gz XRWCHEUXNVKHAI-UHFFFAOYSA-N 1 2 351.435 2.910 20 30 FFEDLO CCN(CC)c1ncc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)s1 ZINC000179985729 509700378 /nfs/dbraw/zinc/70/03/78/509700378.db2.gz INDCLCQGXNRIRY-UHFFFAOYSA-N 1 2 356.499 2.578 20 30 FFEDLO COc1cc(C[NH+]2CCC(C#N)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180015233 509711573 /nfs/dbraw/zinc/71/15/73/509711573.db2.gz CUWDZTOHCDDPLI-UHFFFAOYSA-N 1 2 355.341 2.983 20 30 FFEDLO C[C@H]1C[N@H+](CCOCC(F)(F)C(F)(F)F)CCN1CC(F)(F)F ZINC000189790128 509754580 /nfs/dbraw/zinc/75/45/80/509754580.db2.gz MBYYNPAYRINCOO-VIFPVBQESA-N 1 2 358.273 2.769 20 30 FFEDLO C[C@H]1C[N@@H+](CCOCC(F)(F)C(F)(F)F)CCN1CC(F)(F)F ZINC000189790128 509754589 /nfs/dbraw/zinc/75/45/89/509754589.db2.gz MBYYNPAYRINCOO-VIFPVBQESA-N 1 2 358.273 2.769 20 30 FFEDLO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000176969334 509789067 /nfs/dbraw/zinc/78/90/67/509789067.db2.gz WYIGNTOOYQOTNS-UHFFFAOYSA-N 1 2 373.416 2.556 20 30 FFEDLO C=CCC(CC=C)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000268176770 509796542 /nfs/dbraw/zinc/79/65/42/509796542.db2.gz KHPBCLZYHANXSP-UHFFFAOYSA-N 1 2 358.482 2.782 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000193154199 509798896 /nfs/dbraw/zinc/79/88/96/509798896.db2.gz YEKSBKNBBKWKMS-HNNXBMFYSA-N 1 2 363.889 2.632 20 30 FFEDLO CC[N@@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180192832 509803263 /nfs/dbraw/zinc/80/32/63/509803263.db2.gz RCMMKRYOAROIRH-HOTGVXAUSA-N 1 2 373.881 2.838 20 30 FFEDLO CC[N@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180192832 509803272 /nfs/dbraw/zinc/80/32/72/509803272.db2.gz RCMMKRYOAROIRH-HOTGVXAUSA-N 1 2 373.881 2.838 20 30 FFEDLO CC(C)(O)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000180200794 509808788 /nfs/dbraw/zinc/80/87/88/509808788.db2.gz LIQVYFQUXGQZGW-UHFFFAOYSA-N 1 2 372.490 2.605 20 30 FFEDLO CC(C)(O)C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000180200794 509808798 /nfs/dbraw/zinc/80/87/98/509808798.db2.gz LIQVYFQUXGQZGW-UHFFFAOYSA-N 1 2 372.490 2.605 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000177010233 509815439 /nfs/dbraw/zinc/81/54/39/509815439.db2.gz ACPYUJGSCFNUMN-OAQYLSRUSA-N 1 2 374.444 2.856 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000177010233 509815445 /nfs/dbraw/zinc/81/54/45/509815445.db2.gz ACPYUJGSCFNUMN-OAQYLSRUSA-N 1 2 374.444 2.856 20 30 FFEDLO CCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000245201894 509883232 /nfs/dbraw/zinc/88/32/32/509883232.db2.gz VBWUDDNXJVYYIA-FOIQADDNSA-N 1 2 356.470 2.534 20 30 FFEDLO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000245201894 509883234 /nfs/dbraw/zinc/88/32/34/509883234.db2.gz VBWUDDNXJVYYIA-FOIQADDNSA-N 1 2 356.470 2.534 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c(C#N)c1C ZINC000245393528 509897018 /nfs/dbraw/zinc/89/70/18/509897018.db2.gz WBPHAVLJYJGHSW-HOCLYGCPSA-N 1 2 374.485 2.579 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c(C#N)c1C ZINC000245393528 509897024 /nfs/dbraw/zinc/89/70/24/509897024.db2.gz WBPHAVLJYJGHSW-HOCLYGCPSA-N 1 2 374.485 2.579 20 30 FFEDLO CC(C)n1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000180622331 510018079 /nfs/dbraw/zinc/01/80/79/510018079.db2.gz RJAFKFKKDAOVPY-INIZCTEOSA-N 1 2 352.442 2.549 20 30 FFEDLO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000180622331 510018081 /nfs/dbraw/zinc/01/80/81/510018081.db2.gz RJAFKFKKDAOVPY-INIZCTEOSA-N 1 2 352.442 2.549 20 30 FFEDLO CCc1ccc([C@@H]2COCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)o1 ZINC000265475649 510075990 /nfs/dbraw/zinc/07/59/90/510075990.db2.gz FBXUBHRXVWJCKU-LPHOPBHVSA-N 1 2 356.422 2.527 20 30 FFEDLO CCc1ccc([C@@H]2COCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)o1 ZINC000265475649 510075993 /nfs/dbraw/zinc/07/59/93/510075993.db2.gz FBXUBHRXVWJCKU-LPHOPBHVSA-N 1 2 356.422 2.527 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245714234 510103792 /nfs/dbraw/zinc/10/37/92/510103792.db2.gz UMDPLSXZYXLEIY-UYAOXDASSA-N 1 2 355.388 2.941 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245714234 510103800 /nfs/dbraw/zinc/10/38/00/510103800.db2.gz UMDPLSXZYXLEIY-UYAOXDASSA-N 1 2 355.388 2.941 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c(C#N)c1C ZINC000245721980 510106815 /nfs/dbraw/zinc/10/68/15/510106815.db2.gz UVZCYTFGEADCNA-JDFRZJQESA-N 1 2 355.442 2.875 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c(C#N)c1C ZINC000245721980 510106825 /nfs/dbraw/zinc/10/68/25/510106825.db2.gz UVZCYTFGEADCNA-JDFRZJQESA-N 1 2 355.442 2.875 20 30 FFEDLO C#CCOc1ccccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000187187453 510110422 /nfs/dbraw/zinc/11/04/22/510110422.db2.gz POEOXUVGZZCHFQ-FQEVSTJZSA-N 1 2 350.418 2.538 20 30 FFEDLO C#CCOc1ccccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000187187453 510110428 /nfs/dbraw/zinc/11/04/28/510110428.db2.gz POEOXUVGZZCHFQ-FQEVSTJZSA-N 1 2 350.418 2.538 20 30 FFEDLO Cc1cc([C@H]2C[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)CCO2)ccc1F ZINC000245777441 510141721 /nfs/dbraw/zinc/14/17/21/510141721.db2.gz LQDONUSWSMKLSQ-WIYYLYMNSA-N 1 2 370.424 2.819 20 30 FFEDLO Cc1cc([C@H]2C[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)CCO2)ccc1F ZINC000245777441 510141732 /nfs/dbraw/zinc/14/17/32/510141732.db2.gz LQDONUSWSMKLSQ-WIYYLYMNSA-N 1 2 370.424 2.819 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccccc1OCC#N)c1cccc(F)c1 ZINC000194136333 510232791 /nfs/dbraw/zinc/23/27/91/510232791.db2.gz DQCAMNGFXFYYPU-GOSISDBHSA-N 1 2 364.380 2.981 20 30 FFEDLO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000246149109 510321594 /nfs/dbraw/zinc/32/15/94/510321594.db2.gz PGFHFDOLRBIOII-UKRRQHHQSA-N 1 2 370.457 2.586 20 30 FFEDLO CCn1cnnc1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000246149109 510321599 /nfs/dbraw/zinc/32/15/99/510321599.db2.gz PGFHFDOLRBIOII-UKRRQHHQSA-N 1 2 370.457 2.586 20 30 FFEDLO N#Cc1ccc(CN[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c(F)c1 ZINC000269384236 510376269 /nfs/dbraw/zinc/37/62/69/510376269.db2.gz AGFCICYBGJYVAL-PZJWPPBQSA-N 1 2 353.441 2.670 20 30 FFEDLO N#Cc1ccc(CN[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c(F)c1 ZINC000269384236 510376278 /nfs/dbraw/zinc/37/62/78/510376278.db2.gz AGFCICYBGJYVAL-PZJWPPBQSA-N 1 2 353.441 2.670 20 30 FFEDLO COC(=O)[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1cccc(C#N)c1 ZINC000187713274 510397834 /nfs/dbraw/zinc/39/78/34/510397834.db2.gz DIOQXFVDNHAXJQ-MRXNPFEDSA-N 1 2 369.387 2.636 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000246299932 510413739 /nfs/dbraw/zinc/41/37/39/510413739.db2.gz BXYGMCNCEHTMQO-LJHODMEESA-N 1 2 358.463 2.821 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000246299932 510413744 /nfs/dbraw/zinc/41/37/44/510413744.db2.gz BXYGMCNCEHTMQO-LJHODMEESA-N 1 2 358.463 2.821 20 30 FFEDLO N#Cc1ccccc1OCC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246367470 510450447 /nfs/dbraw/zinc/45/04/47/510450447.db2.gz HVYNHRABEYSFGF-DLBZAZTESA-N 1 2 358.463 2.823 20 30 FFEDLO N#Cc1ccccc1OCC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246367470 510450450 /nfs/dbraw/zinc/45/04/50/510450450.db2.gz HVYNHRABEYSFGF-DLBZAZTESA-N 1 2 358.463 2.823 20 30 FFEDLO CCN(CC)C(=O)[C@@H](C)O[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000178154929 510461044 /nfs/dbraw/zinc/46/10/44/510461044.db2.gz LSPGTHKERCGKNP-OAHLLOKOSA-N 1 2 370.453 2.554 20 30 FFEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCC(C)(C)[NH+]1CCS(=O)CC1 ZINC000269556591 510461620 /nfs/dbraw/zinc/46/16/20/510461620.db2.gz HGHFJIYSLIEWMW-UHFFFAOYSA-N 1 2 374.485 2.809 20 30 FFEDLO COc1ccc(Cl)cc1NC(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000266209834 510463474 /nfs/dbraw/zinc/46/34/74/510463474.db2.gz NXSGUXILLPHGGW-LLVKDONJSA-N 1 2 357.838 2.637 20 30 FFEDLO Cc1cnn([C@H]2CCC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)c1 ZINC000246406337 510471454 /nfs/dbraw/zinc/47/14/54/510471454.db2.gz JSOIZQVOILNUSN-HOTGVXAUSA-N 1 2 355.467 2.567 20 30 FFEDLO Cc1cnn([C@H]2CCC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)c1 ZINC000246406337 510471464 /nfs/dbraw/zinc/47/14/64/510471464.db2.gz JSOIZQVOILNUSN-HOTGVXAUSA-N 1 2 355.467 2.567 20 30 FFEDLO COCCN(C)c1ccc(/C=C/C(=O)c2c(C)nn(CCOC)c2C)c[nH+]1 ZINC000191333265 510608969 /nfs/dbraw/zinc/60/89/69/510608969.db2.gz SAFGNYNPONBAJG-SOFGYWHQSA-N 1 2 372.469 2.520 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)NCc2[nH+]ccn2CC(C)C)cc1 ZINC000175371949 510614651 /nfs/dbraw/zinc/61/46/51/510614651.db2.gz AGJFPXDZHDJOCT-UHFFFAOYSA-N 1 2 355.442 2.777 20 30 FFEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nc(-c2cccc(F)c2)no1 ZINC000185072724 510668793 /nfs/dbraw/zinc/66/87/93/510668793.db2.gz OUTSWVYQJZJYTI-CYBMUJFWSA-N 1 2 371.416 2.869 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000185130093 510700840 /nfs/dbraw/zinc/70/08/40/510700840.db2.gz KBIVCVYMLBRZBB-CQSZACIVSA-N 1 2 358.442 2.820 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178796131 510776976 /nfs/dbraw/zinc/77/69/76/510776976.db2.gz BQQUGPFLWNAERW-PWECECGKSA-N 1 2 355.463 2.755 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178796131 510776985 /nfs/dbraw/zinc/77/69/85/510776985.db2.gz BQQUGPFLWNAERW-PWECECGKSA-N 1 2 355.463 2.755 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)s1 ZINC000188468514 510781959 /nfs/dbraw/zinc/78/19/59/510781959.db2.gz MGPGJRDGCMXIEP-UHFFFAOYSA-N 1 2 355.463 2.846 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000188560282 510825685 /nfs/dbraw/zinc/82/56/85/510825685.db2.gz JEWSGAGUAZNXDC-UHFFFAOYSA-N 1 2 363.330 2.736 20 30 FFEDLO C=CC[C@H](C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000188566696 510828534 /nfs/dbraw/zinc/82/85/34/510828534.db2.gz YBCNGXOHRBFIRW-AZUAARDMSA-N 1 2 360.523 2.670 20 30 FFEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4nc(C5CC5)sc4c3)C[C@@H]21 ZINC000329924181 510879177 /nfs/dbraw/zinc/87/91/77/510879177.db2.gz IVTLSYDZWLHTPW-LSDHHAIUSA-N 1 2 358.467 2.734 20 30 FFEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4nc(C5CC5)sc4c3)C[C@@H]21 ZINC000329924181 510879185 /nfs/dbraw/zinc/87/91/85/510879185.db2.gz IVTLSYDZWLHTPW-LSDHHAIUSA-N 1 2 358.467 2.734 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H]1CCCSC1 ZINC000329924507 510879338 /nfs/dbraw/zinc/87/93/38/510879338.db2.gz HRYUBLMBPIFBMN-ZNMIVQPWSA-N 1 2 370.494 2.603 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H]1CCCSC1 ZINC000329924507 510879341 /nfs/dbraw/zinc/87/93/41/510879341.db2.gz HRYUBLMBPIFBMN-ZNMIVQPWSA-N 1 2 370.494 2.603 20 30 FFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)Cc1cccc(OCC#N)c1 ZINC000270476684 510881413 /nfs/dbraw/zinc/88/14/13/510881413.db2.gz ISCHMHKZFYTRTF-UHFFFAOYSA-N 1 2 366.343 2.549 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000329937789 510883038 /nfs/dbraw/zinc/88/30/38/510883038.db2.gz LSBNPDBDDPYMIE-ZBRFXRBCSA-N 1 2 361.534 2.878 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000329937789 510883042 /nfs/dbraw/zinc/88/30/42/510883042.db2.gz LSBNPDBDDPYMIE-ZBRFXRBCSA-N 1 2 361.534 2.878 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000329962390 510888503 /nfs/dbraw/zinc/88/85/03/510888503.db2.gz SRLZSMQJQHHWAT-BGTYHANMSA-N 1 2 365.497 2.662 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000329962390 510888511 /nfs/dbraw/zinc/88/85/11/510888511.db2.gz SRLZSMQJQHHWAT-BGTYHANMSA-N 1 2 365.497 2.662 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c(Br)c1 ZINC000285408684 510895064 /nfs/dbraw/zinc/89/50/64/510895064.db2.gz UQLKANJUNDYPPD-INIZCTEOSA-N 1 2 351.244 2.702 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)c(Br)c1 ZINC000285408684 510895067 /nfs/dbraw/zinc/89/50/67/510895067.db2.gz UQLKANJUNDYPPD-INIZCTEOSA-N 1 2 351.244 2.702 20 30 FFEDLO C=C(C)[C@H](CC(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1)OCC ZINC000275453691 510900262 /nfs/dbraw/zinc/90/02/62/510900262.db2.gz CQXAWGKNBNVGSJ-FQEVSTJZSA-N 1 2 373.497 2.661 20 30 FFEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC000330029918 510902341 /nfs/dbraw/zinc/90/23/41/510902341.db2.gz QUZZHZROMNKMPQ-UHFFFAOYSA-N 1 2 351.491 2.979 20 30 FFEDLO CC1(C)COCC[N@H+]1CCNC(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC000330029918 510902347 /nfs/dbraw/zinc/90/23/47/510902347.db2.gz QUZZHZROMNKMPQ-UHFFFAOYSA-N 1 2 351.491 2.979 20 30 FFEDLO C[C@H]1C(=O)CC[C@H]1CC(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000330047205 510905889 /nfs/dbraw/zinc/90/58/89/510905889.db2.gz JEXDLBZBTYMALE-OLZOCXBDSA-N 1 2 356.426 2.993 20 30 FFEDLO CC(C)(C(=O)N1CC[NH+](Cc2ccccn2)CC1)c1cc(F)cc(C#N)c1 ZINC000285444796 510908916 /nfs/dbraw/zinc/90/89/16/510908916.db2.gz MIRLKZOOHLDZDH-UHFFFAOYSA-N 1 2 366.440 2.714 20 30 FFEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)C1 ZINC000330065860 510909609 /nfs/dbraw/zinc/90/96/09/510909609.db2.gz SKIONEOOKCXMOJ-BSDSXHPESA-N 1 2 357.502 2.866 20 30 FFEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)C1 ZINC000330065860 510909615 /nfs/dbraw/zinc/90/96/15/510909615.db2.gz SKIONEOOKCXMOJ-BSDSXHPESA-N 1 2 357.502 2.866 20 30 FFEDLO COc1coc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1=O ZINC000285459870 510915619 /nfs/dbraw/zinc/91/56/19/510915619.db2.gz JOYBBTNBKDJWFT-UHFFFAOYSA-N 1 2 358.369 2.703 20 30 FFEDLO CCc1nnc(C2CC[NH+]([C@H](C)C(=O)Nc3c(C)nn(C)c3C)CC2)[nH]1 ZINC000330139214 510923433 /nfs/dbraw/zinc/92/34/33/510923433.db2.gz WBGJWCJOHRQVKQ-CYBMUJFWSA-N 1 2 359.478 2.574 20 30 FFEDLO CCc1n[nH]c(C2CC[NH+]([C@H](C)C(=O)Nc3c(C)nn(C)c3C)CC2)n1 ZINC000330139214 510923437 /nfs/dbraw/zinc/92/34/37/510923437.db2.gz WBGJWCJOHRQVKQ-CYBMUJFWSA-N 1 2 359.478 2.574 20 30 FFEDLO CCc1nc(C2CC[NH+]([C@H](C)C(=O)Nc3c(C)nn(C)c3C)CC2)n[nH]1 ZINC000330139214 510923441 /nfs/dbraw/zinc/92/34/41/510923441.db2.gz WBGJWCJOHRQVKQ-CYBMUJFWSA-N 1 2 359.478 2.574 20 30 FFEDLO Cc1cccc2c1C[N@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3c(=O)[nH]1)CC2 ZINC000277166537 510955985 /nfs/dbraw/zinc/95/59/85/510955985.db2.gz KLHZHGYLZSMBGE-QGZVFWFLSA-N 1 2 372.428 2.878 20 30 FFEDLO Cc1cccc2c1C[N@@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3c(=O)[nH]1)CC2 ZINC000277166537 510955988 /nfs/dbraw/zinc/95/59/88/510955988.db2.gz KLHZHGYLZSMBGE-QGZVFWFLSA-N 1 2 372.428 2.878 20 30 FFEDLO C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330327565 510964751 /nfs/dbraw/zinc/96/47/51/510964751.db2.gz LAFXBARPYLUTJC-QSJFSLAZSA-N 1 2 351.447 2.571 20 30 FFEDLO CCN1CCN(C(=O)Nc2ccc3ncsc3c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330357560 510973268 /nfs/dbraw/zinc/97/32/68/510973268.db2.gz SXZPPSAIHWSLGA-AWEZNQCLSA-N 1 2 356.455 2.944 20 30 FFEDLO CC1(C)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]1C#N ZINC000277859511 510975131 /nfs/dbraw/zinc/97/51/31/510975131.db2.gz JUAAQRDWIXSQAJ-INIZCTEOSA-N 1 2 353.382 2.935 20 30 FFEDLO C[C@H](NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000361450972 511051959 /nfs/dbraw/zinc/05/19/59/511051959.db2.gz QUGXLDSIFLAADC-RAUXBKROSA-N 1 2 370.497 2.577 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cn(CCC#N)nc2-c2ccncc2)n1 ZINC000279493144 511103177 /nfs/dbraw/zinc/10/31/77/511103177.db2.gz YELLIBBGNWOCEN-UHFFFAOYSA-N 1 2 373.464 2.711 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)Cc2cn(CCC#N)nc2-c2ccncc2)n1 ZINC000279493144 511103183 /nfs/dbraw/zinc/10/31/83/511103183.db2.gz YELLIBBGNWOCEN-UHFFFAOYSA-N 1 2 373.464 2.711 20 30 FFEDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279501733 511106150 /nfs/dbraw/zinc/10/61/50/511106150.db2.gz ZHHVRTYUKYQGSE-OAHLLOKOSA-N 1 2 355.442 2.631 20 30 FFEDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279501733 511106155 /nfs/dbraw/zinc/10/61/55/511106155.db2.gz ZHHVRTYUKYQGSE-OAHLLOKOSA-N 1 2 355.442 2.631 20 30 FFEDLO COc1ccc(C[N@H+](CC(N)=O)Cc2ccccc2)cc1OCCCC#N ZINC000271199703 511116969 /nfs/dbraw/zinc/11/69/69/511116969.db2.gz SPZQWWQFNCPLQV-UHFFFAOYSA-N 1 2 367.449 2.865 20 30 FFEDLO COc1ccc(C[N@@H+](CC(N)=O)Cc2ccccc2)cc1OCCCC#N ZINC000271199703 511116972 /nfs/dbraw/zinc/11/69/72/511116972.db2.gz SPZQWWQFNCPLQV-UHFFFAOYSA-N 1 2 367.449 2.865 20 30 FFEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000298169443 511196659 /nfs/dbraw/zinc/19/66/59/511196659.db2.gz CEQVAFJKAGIEOE-MJGOQNOKSA-N 1 2 366.465 2.507 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)c1C#N ZINC000291515966 511228696 /nfs/dbraw/zinc/22/86/96/511228696.db2.gz IQZJLJGOEADMPE-UHFFFAOYSA-N 1 2 368.510 2.641 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000291621106 511271398 /nfs/dbraw/zinc/27/13/98/511271398.db2.gz BQFCLCYSTWZDSE-UHFFFAOYSA-N 1 2 364.446 2.557 20 30 FFEDLO CC(C)n1ncnc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000279950502 511278599 /nfs/dbraw/zinc/27/85/99/511278599.db2.gz HRHFIWAMCNFZNC-UHFFFAOYSA-N 1 2 352.442 2.581 20 30 FFEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000271750014 511309546 /nfs/dbraw/zinc/30/95/46/511309546.db2.gz VAHZLXBEEIFNHV-UHFFFAOYSA-N 1 2 364.446 2.737 20 30 FFEDLO CC1CCN(c2ccc(CNS(=O)(=O)CC(C)(C)CC#N)c[nH+]2)CC1 ZINC000295191332 511315793 /nfs/dbraw/zinc/31/57/93/511315793.db2.gz KZUULGBUAYEKNQ-UHFFFAOYSA-N 1 2 364.515 2.677 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291772986 511332949 /nfs/dbraw/zinc/33/29/49/511332949.db2.gz LUDJVDHALOOGDM-FQEVSTJZSA-N 1 2 369.852 2.786 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291772986 511332953 /nfs/dbraw/zinc/33/29/53/511332953.db2.gz LUDJVDHALOOGDM-FQEVSTJZSA-N 1 2 369.852 2.786 20 30 FFEDLO COc1ccc(/C=C/C(=O)c2ccc(O)c(C[NH+]3CCOCC3)c2)cc1O ZINC000298654417 511363682 /nfs/dbraw/zinc/36/36/82/511363682.db2.gz GDOLGXZMWPSOLS-GORDUTHDSA-N 1 2 369.417 2.835 20 30 FFEDLO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000283540583 511407641 /nfs/dbraw/zinc/40/76/41/511407641.db2.gz HKXMWCSCULVCCO-UHFFFAOYSA-N 1 2 361.453 2.638 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000298996515 511478581 /nfs/dbraw/zinc/47/85/81/511478581.db2.gz LYBKDJYIXDAMMW-BQYQJAHWSA-N 1 2 350.422 2.521 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CC(C)(C)CC#N)c1ccccc1F ZINC000295689463 511484504 /nfs/dbraw/zinc/48/45/04/511484504.db2.gz DDMOPDSHNATOFE-OAHLLOKOSA-N 1 2 364.446 2.508 20 30 FFEDLO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000272570781 511499993 /nfs/dbraw/zinc/49/99/93/511499993.db2.gz MXDVUEWUKONMKQ-CYBMUJFWSA-N 1 2 358.442 2.606 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000280627140 511538525 /nfs/dbraw/zinc/53/85/25/511538525.db2.gz YPPXVGZMLNDQJE-FQEVSTJZSA-N 1 2 374.444 2.711 20 30 FFEDLO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@]2(CCOC2)O1 ZINC000280662077 511554317 /nfs/dbraw/zinc/55/43/17/511554317.db2.gz ZZVDCPKENOXPHQ-LRDDRELGSA-N 1 2 351.244 2.701 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@]2(CCOC2)O1 ZINC000280662077 511554323 /nfs/dbraw/zinc/55/43/23/511554323.db2.gz ZZVDCPKENOXPHQ-LRDDRELGSA-N 1 2 351.244 2.701 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000299342723 511599166 /nfs/dbraw/zinc/59/91/66/511599166.db2.gz UIODRHZQCXGXTR-KSSFIOAISA-N 1 2 373.453 2.624 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000296148875 511635402 /nfs/dbraw/zinc/63/54/02/511635402.db2.gz YHQPBXUSUFIPNU-QGZVFWFLSA-N 1 2 357.458 2.621 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)cc1Cl ZINC000281009858 511686624 /nfs/dbraw/zinc/68/66/24/511686624.db2.gz NKRAUUOBMZQDKH-QGZVFWFLSA-N 1 2 370.840 2.836 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](OCc3ccncc3)C2)cc1Cl ZINC000281009858 511686630 /nfs/dbraw/zinc/68/66/30/511686630.db2.gz NKRAUUOBMZQDKH-QGZVFWFLSA-N 1 2 370.840 2.836 20 30 FFEDLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000302762996 511714666 /nfs/dbraw/zinc/71/46/66/511714666.db2.gz RXTNOCXSIVFURO-PXNSSMCTSA-N 1 2 359.470 2.895 20 30 FFEDLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000302762996 511714668 /nfs/dbraw/zinc/71/46/68/511714668.db2.gz RXTNOCXSIVFURO-PXNSSMCTSA-N 1 2 359.470 2.895 20 30 FFEDLO C#CCN(C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1)C1CC1 ZINC000274101674 511719463 /nfs/dbraw/zinc/71/94/63/511719463.db2.gz JYJLQJVJGSLUCP-UHFFFAOYSA-N 1 2 361.243 2.712 20 30 FFEDLO CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)C(=O)Nc1ccccc1 ZINC000303177559 511728678 /nfs/dbraw/zinc/72/86/78/511728678.db2.gz WQPLAIWXOIPGMK-OXQOHEQNSA-N 1 2 358.486 2.780 20 30 FFEDLO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)C(=O)Nc1ccccc1 ZINC000303177559 511728685 /nfs/dbraw/zinc/72/86/85/511728685.db2.gz WQPLAIWXOIPGMK-OXQOHEQNSA-N 1 2 358.486 2.780 20 30 FFEDLO C=C(C)C[C@@H](C)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000350154056 511731210 /nfs/dbraw/zinc/73/12/10/511731210.db2.gz JLEBUPRSTPKSQW-CQSZACIVSA-N 1 2 355.442 2.589 20 30 FFEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccccc3-c3ccccc3C#N)C[C@@H]21 ZINC000284573970 511777541 /nfs/dbraw/zinc/77/75/41/511777541.db2.gz RHZJIMCLRHKKSC-SFTDATJTSA-N 1 2 361.445 2.770 20 30 FFEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccccc3-c3ccccc3C#N)C[C@@H]21 ZINC000284573970 511777543 /nfs/dbraw/zinc/77/75/43/511777543.db2.gz RHZJIMCLRHKKSC-SFTDATJTSA-N 1 2 361.445 2.770 20 30 FFEDLO N#Cc1ccc2[nH+]cc(CN3CCNC(=O)[C@@H]3c3ccccc3Cl)n2c1 ZINC000363847274 511806478 /nfs/dbraw/zinc/80/64/78/511806478.db2.gz MWXLTVURQNWOFN-SFHVURJKSA-N 1 2 365.824 2.532 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1=O ZINC000281391200 511829732 /nfs/dbraw/zinc/82/97/32/511829732.db2.gz WWODFMLWZSJWPX-INIZCTEOSA-N 1 2 372.450 2.937 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1=O ZINC000281391200 511829738 /nfs/dbraw/zinc/82/97/38/511829738.db2.gz WWODFMLWZSJWPX-INIZCTEOSA-N 1 2 372.450 2.937 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCCCCC#N)[C@H](C)C1 ZINC000281616610 511910040 /nfs/dbraw/zinc/91/00/40/511910040.db2.gz HGVVPVDARLJFNT-QGZVFWFLSA-N 1 2 358.486 2.995 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCCCCC#N)[C@H](C)C1 ZINC000281616610 511910043 /nfs/dbraw/zinc/91/00/43/511910043.db2.gz HGVVPVDARLJFNT-QGZVFWFLSA-N 1 2 358.486 2.995 20 30 FFEDLO CC(C)(C(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1)[NH+]1CCOCC1 ZINC000328684825 511914636 /nfs/dbraw/zinc/91/46/36/511914636.db2.gz PVMJJHQJZOHQPD-ZDUSSCGKSA-N 1 2 365.861 2.513 20 30 FFEDLO Cc1ccc(NC(=O)C2CC[NH+](Cc3nnc4n3CCCC4)CC2)nc1 ZINC000328736008 511922563 /nfs/dbraw/zinc/92/25/63/511922563.db2.gz ZIFSNAXXZYJFHM-UHFFFAOYSA-N 1 2 354.458 2.818 20 30 FFEDLO Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000328809625 511934059 /nfs/dbraw/zinc/93/40/59/511934059.db2.gz OCHRPWZIQGLCNY-RDJZCZTQSA-N 1 2 352.438 2.914 20 30 FFEDLO CN1CC[N@H+](C)[C@H](CNc2c(C#N)cnc3c(Br)cccc32)C1 ZINC000281695506 511934426 /nfs/dbraw/zinc/93/44/26/511934426.db2.gz SFBOXHYJZMEJJK-CYBMUJFWSA-N 1 2 374.286 2.527 20 30 FFEDLO CN1CC[N@@H+](C)[C@H](CNc2c(C#N)cnc3c(Br)cccc32)C1 ZINC000281695506 511934430 /nfs/dbraw/zinc/93/44/30/511934430.db2.gz SFBOXHYJZMEJJK-CYBMUJFWSA-N 1 2 374.286 2.527 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1cc(C#N)ccc1C ZINC000281729589 511946602 /nfs/dbraw/zinc/94/66/02/511946602.db2.gz QZGFOAORTJGGPB-MRXNPFEDSA-N 1 2 358.467 2.999 20 30 FFEDLO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCC[NH+]1CCSCC1 ZINC000328887179 511946713 /nfs/dbraw/zinc/94/67/13/511946713.db2.gz OKZXWZWESMMMHT-CYBMUJFWSA-N 1 2 355.529 2.699 20 30 FFEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000328925320 511951526 /nfs/dbraw/zinc/95/15/26/511951526.db2.gz ODYCYRNFLZHCSR-RBUKOAKNSA-N 1 2 373.472 2.830 20 30 FFEDLO O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)N1CCn2cc[nH+]c2C1 ZINC000328958581 511957698 /nfs/dbraw/zinc/95/76/98/511957698.db2.gz ONGQCVFDTMJZDE-GFCCVEGCSA-N 1 2 363.824 2.684 20 30 FFEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000281771721 511960969 /nfs/dbraw/zinc/96/09/69/511960969.db2.gz IEAVIXXFXOJXKD-IBGZPJMESA-N 1 2 355.482 2.671 20 30 FFEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000281771721 511960977 /nfs/dbraw/zinc/96/09/77/511960977.db2.gz IEAVIXXFXOJXKD-IBGZPJMESA-N 1 2 355.482 2.671 20 30 FFEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cnc3ccc(Cl)cn23)CC1 ZINC000329039086 511971959 /nfs/dbraw/zinc/97/19/59/511971959.db2.gz ZUJSDSPQGDYHRD-ZDUSSCGKSA-N 1 2 361.877 2.613 20 30 FFEDLO CCn1ccnc1[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCOCC1 ZINC000329132380 511989586 /nfs/dbraw/zinc/98/95/86/511989586.db2.gz PEFBXDRDCPGVJY-DOTOQJQBSA-N 1 2 357.458 2.786 20 30 FFEDLO Cc1nc2c(C#N)cnn2c(C)c1CCc1nc(Cc2ccc[nH+]c2C)no1 ZINC000351224745 511989989 /nfs/dbraw/zinc/98/99/89/511989989.db2.gz CHOJQDXKSFIKNH-UHFFFAOYSA-N 1 2 373.420 2.680 20 30 FFEDLO CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)C1(C)C ZINC000329266209 512017732 /nfs/dbraw/zinc/01/77/32/512017732.db2.gz HJRQRURXGCMXAP-UHOFOFEASA-N 1 2 366.531 2.543 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCOC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329308208 512024361 /nfs/dbraw/zinc/02/43/61/512024361.db2.gz QBYJWOFWBBNZBY-PVUWLOKVSA-N 1 2 371.403 2.922 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCOC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329308208 512024365 /nfs/dbraw/zinc/02/43/65/512024365.db2.gz QBYJWOFWBBNZBY-PVUWLOKVSA-N 1 2 371.403 2.922 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(C#N)o1 ZINC000285176302 512027540 /nfs/dbraw/zinc/02/75/40/512027540.db2.gz PXSWQKSZWZHXKC-MRXNPFEDSA-N 1 2 371.441 2.679 20 30 FFEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000329415645 512042200 /nfs/dbraw/zinc/04/22/00/512042200.db2.gz CXFSGDOHTZDYBG-QWHCGFSZSA-N 1 2 352.504 2.781 20 30 FFEDLO O=C(Nc1cnc2c(c1)CCCC2)N1CC[NH+](Cc2cccnc2)CC1 ZINC000329487858 512055954 /nfs/dbraw/zinc/05/59/54/512055954.db2.gz XXKCDAZGFFMVGV-UHFFFAOYSA-N 1 2 351.454 2.719 20 30 FFEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCO[C@@H]2CCC[C@@H]21)C1CCOCC1 ZINC000329521820 512063939 /nfs/dbraw/zinc/06/39/39/512063939.db2.gz QXXJMVOBRRQSPN-GVDBMIGSSA-N 1 2 362.474 2.538 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@@H]1CCO[C@@H](C3CC3)C1)C2 ZINC000329617801 512077115 /nfs/dbraw/zinc/07/71/15/512077115.db2.gz LTHMALBHZJUETK-OWCLPIDISA-N 1 2 360.502 2.957 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@@H]1CCO[C@@H](C3CC3)C1)C2 ZINC000329617801 512077118 /nfs/dbraw/zinc/07/71/18/512077118.db2.gz LTHMALBHZJUETK-OWCLPIDISA-N 1 2 360.502 2.957 20 30 FFEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@H]1c2ccccc2CC12CCOCC2 ZINC000329612852 512077339 /nfs/dbraw/zinc/07/73/39/512077339.db2.gz OOUJZJJNMCAIAM-APWZRJJASA-N 1 2 366.465 2.796 20 30 FFEDLO [O-]C(N[C@H]1c2ccccc2CC12CCOCC2)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000329612852 512077343 /nfs/dbraw/zinc/07/73/43/512077343.db2.gz OOUJZJJNMCAIAM-APWZRJJASA-N 1 2 366.465 2.796 20 30 FFEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2ccc3oc(CC(C)(C)C)nc3c2)C1 ZINC000329673641 512085267 /nfs/dbraw/zinc/08/52/67/512085267.db2.gz ODKNXVPUCZUDSS-OAHLLOKOSA-N 1 2 373.501 2.988 20 30 FFEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2ccc3oc(CC(C)(C)C)nc3c2)C1 ZINC000329673641 512085273 /nfs/dbraw/zinc/08/52/73/512085273.db2.gz ODKNXVPUCZUDSS-OAHLLOKOSA-N 1 2 373.501 2.988 20 30 FFEDLO O=C(N[C@@H]1CC[C@H](F)C1)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000329716153 512090074 /nfs/dbraw/zinc/09/00/74/512090074.db2.gz WBBIJPXXLPHHFX-ARFHVFGLSA-N 1 2 362.449 2.940 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@]2(CCOC2)C1)c1ccccc1F ZINC000329767863 512095143 /nfs/dbraw/zinc/09/51/43/512095143.db2.gz FXHDVGOFHFZLRS-APWZRJJASA-N 1 2 358.417 2.675 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000377916590 512510871 /nfs/dbraw/zinc/51/08/71/512510871.db2.gz QUHVCEIDJMYWLW-MSOLQXFVSA-N 1 2 366.465 2.623 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000377916590 512510876 /nfs/dbraw/zinc/51/08/76/512510876.db2.gz QUHVCEIDJMYWLW-MSOLQXFVSA-N 1 2 366.465 2.623 20 30 FFEDLO C#CCOc1cc(F)ccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000371797581 512577955 /nfs/dbraw/zinc/57/79/55/512577955.db2.gz VJGAUUCGWDQYKZ-UHFFFAOYSA-N 1 2 365.368 2.740 20 30 FFEDLO CN1CCC2(CC[NH+](Cc3ccc(Br)cc3C#N)CC2)C1=O ZINC000367861708 512694205 /nfs/dbraw/zinc/69/42/05/512694205.db2.gz CLYKOVGQLIMIGE-UHFFFAOYSA-N 1 2 362.271 2.765 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2c[nH]nc2-c2ccc(F)cc2)n1 ZINC000378339259 512702836 /nfs/dbraw/zinc/70/28/36/512702836.db2.gz WCPUTKWOLGBRAB-UHFFFAOYSA-N 1 2 367.428 2.694 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2c[nH]nc2-c2ccc(F)cc2)n1 ZINC000378339259 512702837 /nfs/dbraw/zinc/70/28/37/512702837.db2.gz WCPUTKWOLGBRAB-UHFFFAOYSA-N 1 2 367.428 2.694 20 30 FFEDLO COc1ccc(OC)c2c1C[N@H+](Cc1ccc(C#N)c(OC)c1)C[C@H]2O ZINC000374218243 512711243 /nfs/dbraw/zinc/71/12/43/512711243.db2.gz RMKYVYNWOFLEAK-MRXNPFEDSA-N 1 2 354.406 2.633 20 30 FFEDLO COc1ccc(OC)c2c1C[N@@H+](Cc1ccc(C#N)c(OC)c1)C[C@H]2O ZINC000374218243 512711247 /nfs/dbraw/zinc/71/12/47/512711247.db2.gz RMKYVYNWOFLEAK-MRXNPFEDSA-N 1 2 354.406 2.633 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000374448710 512838406 /nfs/dbraw/zinc/83/84/06/512838406.db2.gz IRBCTBWWOIRWTQ-INIZCTEOSA-N 1 2 370.478 2.659 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c(C#N)c1C ZINC000411935456 512880663 /nfs/dbraw/zinc/88/06/63/512880663.db2.gz IEZPXIXRJDVWLS-NVXWUHKLSA-N 1 2 355.463 2.983 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c(C#N)c1C ZINC000411935456 512880667 /nfs/dbraw/zinc/88/06/67/512880667.db2.gz IEZPXIXRJDVWLS-NVXWUHKLSA-N 1 2 355.463 2.983 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2csnn2)cc1 ZINC000412026060 512917221 /nfs/dbraw/zinc/91/72/21/512917221.db2.gz KTHOBQOOTPTFEF-CYBMUJFWSA-N 1 2 359.455 2.534 20 30 FFEDLO Cc1nn(C)c(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1Br ZINC000368516700 512983592 /nfs/dbraw/zinc/98/35/92/512983592.db2.gz DNOXWRUAWGYZEP-UHFFFAOYSA-N 1 2 374.286 2.943 20 30 FFEDLO C=CCC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1)c1ccccc1 ZINC000412373557 513056809 /nfs/dbraw/zinc/05/68/09/513056809.db2.gz SCWRWEFGAUURCN-IEBWSBKVSA-N 1 2 358.482 2.738 20 30 FFEDLO C=CCC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1)c1ccccc1 ZINC000412373557 513056814 /nfs/dbraw/zinc/05/68/14/513056814.db2.gz SCWRWEFGAUURCN-IEBWSBKVSA-N 1 2 358.482 2.738 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)c(Cl)n1)c1cccc(F)c1 ZINC000374993312 513100726 /nfs/dbraw/zinc/10/07/26/513100726.db2.gz FPVNTBYXUQUQLM-OAHLLOKOSA-N 1 2 369.787 2.999 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000429014374 513254189 /nfs/dbraw/zinc/25/41/89/513254189.db2.gz WFJXBWGPVBUXDT-KGLIPLIRSA-N 1 2 366.868 2.750 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000429014374 513254194 /nfs/dbraw/zinc/25/41/94/513254194.db2.gz WFJXBWGPVBUXDT-KGLIPLIRSA-N 1 2 366.868 2.750 20 30 FFEDLO CCc1cc(CCC[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)on1 ZINC000450609485 513272716 /nfs/dbraw/zinc/27/27/16/513272716.db2.gz DVQCJDRYDACECW-VLIAUNLRSA-N 1 2 350.422 2.515 20 30 FFEDLO CCc1cc(CCC[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)on1 ZINC000450609485 513272719 /nfs/dbraw/zinc/27/27/19/513272719.db2.gz DVQCJDRYDACECW-VLIAUNLRSA-N 1 2 350.422 2.515 20 30 FFEDLO N#Cc1ccc(OCC(=O)NCc2[nH+]ccn2CCc2ccccc2)cc1 ZINC000434363716 513301650 /nfs/dbraw/zinc/30/16/50/513301650.db2.gz RXSRFMPGCUIEHM-UHFFFAOYSA-N 1 2 360.417 2.693 20 30 FFEDLO C[C@@H]1C[N@@H+]([C@@H](CNc2nccc(C#N)c2Cl)c2cccs2)CCO1 ZINC000429196437 513302654 /nfs/dbraw/zinc/30/26/54/513302654.db2.gz JZQVOBRHMNMIKY-OCCSQVGLSA-N 1 2 362.886 2.964 20 30 FFEDLO C[C@@H]1C[N@H+]([C@@H](CNc2nccc(C#N)c2Cl)c2cccs2)CCO1 ZINC000429196437 513302655 /nfs/dbraw/zinc/30/26/55/513302655.db2.gz JZQVOBRHMNMIKY-OCCSQVGLSA-N 1 2 362.886 2.964 20 30 FFEDLO CC1(C)CN(c2ccc(Cl)cc2)CC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000429291568 513328981 /nfs/dbraw/zinc/32/89/81/513328981.db2.gz GPRPPVWEPMACGA-UHFFFAOYSA-N 1 2 360.889 2.803 20 30 FFEDLO CC1(C)CN(c2ccc(Cl)cc2)CC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000429291568 513328988 /nfs/dbraw/zinc/32/89/88/513328988.db2.gz GPRPPVWEPMACGA-UHFFFAOYSA-N 1 2 360.889 2.803 20 30 FFEDLO Cc1c(Cl)cnc(N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c1C#N ZINC000440649967 513371321 /nfs/dbraw/zinc/37/13/21/513371321.db2.gz ZZIJXVAMJAIMBK-GOSISDBHSA-N 1 2 364.877 2.815 20 30 FFEDLO Cc1cc(N2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)c(C#N)c[nH+]1 ZINC000425257688 513477542 /nfs/dbraw/zinc/47/75/42/513477542.db2.gz IXHIDDSSJBRLEM-FOIQADDNSA-N 1 2 373.420 2.660 20 30 FFEDLO C[C@H](C(=O)NCc1ccc(C#N)s1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000421926555 513478870 /nfs/dbraw/zinc/47/88/70/513478870.db2.gz XAESIOXNAIRVNR-CQSZACIVSA-N 1 2 372.469 2.586 20 30 FFEDLO Cc1cc(NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c(C#N)c[nH+]1 ZINC000425259411 513479640 /nfs/dbraw/zinc/47/96/40/513479640.db2.gz YIFUUXBFTSUMNL-UHFFFAOYSA-N 1 2 369.368 2.718 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000434985139 513482987 /nfs/dbraw/zinc/48/29/87/513482987.db2.gz GMHYJJFFMZFPJQ-KRWDZBQOSA-N 1 2 363.387 2.828 20 30 FFEDLO N#CC1CCC(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000441139540 513497661 /nfs/dbraw/zinc/49/76/61/513497661.db2.gz KRYHLUSRDIFOSE-UHFFFAOYSA-N 1 2 353.382 2.840 20 30 FFEDLO N#Cc1ccc(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)cc1O ZINC000430098934 513552174 /nfs/dbraw/zinc/55/21/74/513552174.db2.gz KUBNSUJYILGYAZ-SFHVURJKSA-N 1 2 367.474 2.611 20 30 FFEDLO N#Cc1ccc2ncc(C[N@@H+](Cc3ccc(C(N)=O)cc3F)C3CC3)n2c1 ZINC000430107568 513554920 /nfs/dbraw/zinc/55/49/20/513554920.db2.gz QSZZIIQXBSHACN-UHFFFAOYSA-N 1 2 363.396 2.609 20 30 FFEDLO N#Cc1ccc2ncc(C[N@H+](Cc3ccc(C(N)=O)cc3F)C3CC3)n2c1 ZINC000430107568 513554922 /nfs/dbraw/zinc/55/49/22/513554922.db2.gz QSZZIIQXBSHACN-UHFFFAOYSA-N 1 2 363.396 2.609 20 30 FFEDLO COc1ccc(-c2noc(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)n2)nn1 ZINC000425541568 513629750 /nfs/dbraw/zinc/62/97/50/513629750.db2.gz WYWRYUDKNHRVIK-LBPRGKRZSA-N 1 2 350.382 2.600 20 30 FFEDLO COc1ccc(-c2noc(C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)n2)nn1 ZINC000425541568 513629759 /nfs/dbraw/zinc/62/97/59/513629759.db2.gz WYWRYUDKNHRVIK-LBPRGKRZSA-N 1 2 350.382 2.600 20 30 FFEDLO N#CCc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000451292562 513657709 /nfs/dbraw/zinc/65/77/09/513657709.db2.gz BSTCFVLTEOQUQT-CYBMUJFWSA-N 1 2 364.858 2.697 20 30 FFEDLO N#CCc1ccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000451296407 513660538 /nfs/dbraw/zinc/66/05/38/513660538.db2.gz FUNITUAESQLVAO-UHFFFAOYSA-N 1 2 364.858 2.697 20 30 FFEDLO CC(=O)c1ccc(C#N)c(N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c1 ZINC000418950741 513700887 /nfs/dbraw/zinc/70/08/87/513700887.db2.gz RDECPTKJMNPFFA-FQEVSTJZSA-N 1 2 357.454 2.661 20 30 FFEDLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000451408246 513728485 /nfs/dbraw/zinc/72/84/85/513728485.db2.gz NHHDIDNVKJHCNC-TZMCWYRMSA-N 1 2 360.401 2.995 20 30 FFEDLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000451408246 513728492 /nfs/dbraw/zinc/72/84/92/513728492.db2.gz NHHDIDNVKJHCNC-TZMCWYRMSA-N 1 2 360.401 2.995 20 30 FFEDLO CC(C)Oc1cccnc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000430763688 513743194 /nfs/dbraw/zinc/74/31/94/513743194.db2.gz DUGUOXQKYWVWKT-UHFFFAOYSA-N 1 2 364.449 2.698 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451425969 513743523 /nfs/dbraw/zinc/74/35/23/513743523.db2.gz HQYYHBRGXJQFLR-SJCJKPOMSA-N 1 2 369.437 2.721 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451425969 513743533 /nfs/dbraw/zinc/74/35/33/513743533.db2.gz HQYYHBRGXJQFLR-SJCJKPOMSA-N 1 2 369.437 2.721 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000413834205 513838518 /nfs/dbraw/zinc/83/85/18/513838518.db2.gz LLTXDXVNMBBNBY-RLLQIKCJSA-N 1 2 357.498 2.678 20 30 FFEDLO C=CCN(CCc1ccco1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443046251 513851998 /nfs/dbraw/zinc/85/19/98/513851998.db2.gz STBKKTJHBKAGOP-UHFFFAOYSA-N 1 2 371.462 2.944 20 30 FFEDLO COc1ccc2c(c1)C[N@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CCO2 ZINC000451644083 513883578 /nfs/dbraw/zinc/88/35/78/513883578.db2.gz RWJDJFUZBWDTGQ-LJQANCHMSA-N 1 2 363.417 2.567 20 30 FFEDLO COc1ccc2c(c1)C[N@@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CCO2 ZINC000451644083 513883583 /nfs/dbraw/zinc/88/35/83/513883583.db2.gz RWJDJFUZBWDTGQ-LJQANCHMSA-N 1 2 363.417 2.567 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451877244 514039660 /nfs/dbraw/zinc/03/96/60/514039660.db2.gz HTOJJLFGMZJUOJ-LSDHHAIUSA-N 1 2 374.451 2.534 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451877244 514039666 /nfs/dbraw/zinc/03/96/66/514039666.db2.gz HTOJJLFGMZJUOJ-LSDHHAIUSA-N 1 2 374.451 2.534 20 30 FFEDLO C[C@@H]1Cc2cccc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2O1 ZINC000449041719 514045395 /nfs/dbraw/zinc/04/53/95/514045395.db2.gz OFAXUTVJZJKIQS-MRXNPFEDSA-N 1 2 361.445 2.840 20 30 FFEDLO COCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccc(F)c(Cl)c1 ZINC000451983927 514110588 /nfs/dbraw/zinc/11/05/88/514110588.db2.gz VERUXRWZZGOEBZ-SFHVURJKSA-N 1 2 369.868 2.982 20 30 FFEDLO COCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccc(F)c(Cl)c1 ZINC000451983927 514110598 /nfs/dbraw/zinc/11/05/98/514110598.db2.gz VERUXRWZZGOEBZ-SFHVURJKSA-N 1 2 369.868 2.982 20 30 FFEDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000452010889 514133990 /nfs/dbraw/zinc/13/39/90/514133990.db2.gz KWYSMZHLAQHESO-CQSZACIVSA-N 1 2 365.275 2.556 20 30 FFEDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000452010889 514133998 /nfs/dbraw/zinc/13/39/98/514133998.db2.gz KWYSMZHLAQHESO-CQSZACIVSA-N 1 2 365.275 2.556 20 30 FFEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000444235639 514163854 /nfs/dbraw/zinc/16/38/54/514163854.db2.gz YNVSQRMGVQIIOP-UHFFFAOYSA-N 1 2 360.477 2.736 20 30 FFEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000444235639 514163859 /nfs/dbraw/zinc/16/38/59/514163859.db2.gz YNVSQRMGVQIIOP-UHFFFAOYSA-N 1 2 360.477 2.736 20 30 FFEDLO CC(C)(C#N)CCCC[NH+]1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000444596803 514269185 /nfs/dbraw/zinc/26/91/85/514269185.db2.gz ZOUIAWPKSJXHQH-UHFFFAOYSA-N 1 2 363.527 2.854 20 30 FFEDLO Cn1cc[nH+]c1-c1cccc(NS(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427749232 514301781 /nfs/dbraw/zinc/30/17/81/514301781.db2.gz OGEYJCYYYSEUKZ-UHFFFAOYSA-N 1 2 356.382 2.899 20 30 FFEDLO CN1CC[NH+](Cc2cccc(NC(=O)c3ncc(C#N)cc3Cl)c2)CC1 ZINC000427917810 514346514 /nfs/dbraw/zinc/34/65/14/514346514.db2.gz ZWMWDLSERSRPAE-UHFFFAOYSA-N 1 2 369.856 2.606 20 30 FFEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000449834330 514379792 /nfs/dbraw/zinc/37/97/92/514379792.db2.gz JWLLHEQJBCHILV-KUHUBIRLSA-N 1 2 371.872 2.572 20 30 FFEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000449834330 514379796 /nfs/dbraw/zinc/37/97/96/514379796.db2.gz JWLLHEQJBCHILV-KUHUBIRLSA-N 1 2 371.872 2.572 20 30 FFEDLO CCN1CCN(C(=O)c2cccc(SCC#N)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000433108201 514385273 /nfs/dbraw/zinc/38/52/73/514385273.db2.gz ZLOBXAQOEVBPTB-INIZCTEOSA-N 1 2 355.467 2.544 20 30 FFEDLO CCc1nc(C)c(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 ZINC000428360785 514456507 /nfs/dbraw/zinc/45/65/07/514456507.db2.gz DWPYJCYPVHBCQS-UHFFFAOYSA-N 1 2 367.409 2.987 20 30 FFEDLO N#Cc1cccc(C(=O)NC[C@H]2CCCn3cc[nH+]c32)c1Br ZINC000450182802 514526386 /nfs/dbraw/zinc/52/63/86/514526386.db2.gz HVARWTXYRAMABC-GFCCVEGCSA-N 1 2 359.227 2.825 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000439443242 514552706 /nfs/dbraw/zinc/55/27/06/514552706.db2.gz ALWMFRODWOKNSQ-QUCCMNQESA-N 1 2 364.449 2.652 20 30 FFEDLO C[C@@H]([NH2+]Cc1nn(C)cc1I)c1cccc(C#N)c1 ZINC000453365828 514609627 /nfs/dbraw/zinc/60/96/27/514609627.db2.gz LQAHEZZZKIVAGF-SNVBAGLBSA-N 1 2 366.206 2.747 20 30 FFEDLO N#Cc1cnc2ccccc2c1NCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000461453619 514622325 /nfs/dbraw/zinc/62/23/25/514622325.db2.gz ZWOMIYHYTMHLAJ-UHFFFAOYSA-N 1 2 371.488 2.758 20 30 FFEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000475347949 514630129 /nfs/dbraw/zinc/63/01/29/514630129.db2.gz SNPIMRIWEPJSKI-SFHVURJKSA-N 1 2 366.856 2.765 20 30 FFEDLO CC(C)(CCC#N)CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000479671605 514680965 /nfs/dbraw/zinc/68/09/65/514680965.db2.gz GQALCMKVBUYYMU-SFHVURJKSA-N 1 2 358.486 2.689 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000502653541 514728847 /nfs/dbraw/zinc/72/88/47/514728847.db2.gz JBIVTRRDWYIGLA-INIZCTEOSA-N 1 2 367.424 2.809 20 30 FFEDLO CC(C)Oc1cncc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000479844415 514744157 /nfs/dbraw/zinc/74/41/57/514744157.db2.gz NIHSFSYSGCKHRB-UHFFFAOYSA-N 1 2 364.449 2.698 20 30 FFEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000489400941 514830780 /nfs/dbraw/zinc/83/07/80/514830780.db2.gz KUFCGAWDBKRPOK-QGZVFWFLSA-N 1 2 358.486 2.992 20 30 FFEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000489400941 514830790 /nfs/dbraw/zinc/83/07/90/514830790.db2.gz KUFCGAWDBKRPOK-QGZVFWFLSA-N 1 2 358.486 2.992 20 30 FFEDLO CCN1CCN(C(=O)C[C@H](CC#N)c2ccccc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000476017980 514884938 /nfs/dbraw/zinc/88/49/38/514884938.db2.gz AUKPFSPNBCLQNQ-ZWKOTPCHSA-N 1 2 351.454 2.702 20 30 FFEDLO C=C(CC)CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000458604719 514946062 /nfs/dbraw/zinc/94/60/62/514946062.db2.gz IUWZIWFJXZOULY-DLBZAZTESA-N 1 2 351.878 2.977 20 30 FFEDLO C=C(CC)CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000458604719 514946066 /nfs/dbraw/zinc/94/60/66/514946066.db2.gz IUWZIWFJXZOULY-DLBZAZTESA-N 1 2 351.878 2.977 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503223685 514967025 /nfs/dbraw/zinc/96/70/25/514967025.db2.gz ZFENEKZOHQKJBX-MSOLQXFVSA-N 1 2 357.498 2.727 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503223685 514967036 /nfs/dbraw/zinc/96/70/36/514967036.db2.gz ZFENEKZOHQKJBX-MSOLQXFVSA-N 1 2 357.498 2.727 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC(F)(C#N)CC1)c1ccc(F)cc1 ZINC000476255100 514971155 /nfs/dbraw/zinc/97/11/55/514971155.db2.gz HHMHNINRUHQDEG-OAHLLOKOSA-N 1 2 359.380 2.686 20 30 FFEDLO CCCN(CC)c1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000503591168 515092020 /nfs/dbraw/zinc/09/20/20/515092020.db2.gz FUJTVKVAIHZHFS-UHFFFAOYSA-N 1 2 372.513 2.611 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccnc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000476654728 515144278 /nfs/dbraw/zinc/14/42/78/515144278.db2.gz FPIPUIHPEWKXDE-WMZOPIPTSA-N 1 2 374.366 2.936 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccnc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000476654728 515144288 /nfs/dbraw/zinc/14/42/88/515144288.db2.gz FPIPUIHPEWKXDE-WMZOPIPTSA-N 1 2 374.366 2.936 20 30 FFEDLO Cc1cc(C)c(CNC(=O)C(=O)Nc2ccccc2SCCC#N)c[nH+]1 ZINC000454034369 515150459 /nfs/dbraw/zinc/15/04/59/515150459.db2.gz QCMQAIGKDXTRCO-UHFFFAOYSA-N 1 2 368.462 2.959 20 30 FFEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000509482029 515199452 /nfs/dbraw/zinc/19/94/52/515199452.db2.gz XZZLQTGHZFXCQN-FQEVSTJZSA-N 1 2 368.437 2.955 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(-c4ccccn4)no3)CC2)cc1 ZINC000468031100 515201320 /nfs/dbraw/zinc/20/13/20/515201320.db2.gz TUBSYFZTKSNFNM-UHFFFAOYSA-N 1 2 373.416 2.566 20 30 FFEDLO C=CCNC(=O)c1ccc(N2CCc3c([nH+]cn3-c3ccccc3)C2)nc1 ZINC000477032328 515295083 /nfs/dbraw/zinc/29/50/83/515295083.db2.gz IVSVJRPRZFYMBE-UHFFFAOYSA-N 1 2 359.433 2.746 20 30 FFEDLO Cc1[nH+]c2cc(NC(=O)CNc3cccc(C#N)c3)ccc2n1[C@@H](C)CO ZINC000456713238 515377301 /nfs/dbraw/zinc/37/73/01/515377301.db2.gz NEAZVPNPZYGNAS-ZDUSSCGKSA-N 1 2 363.421 2.820 20 30 FFEDLO N#Cc1cccc(-c2cc(C(=O)N3CCN(c4cccc[nH+]4)CC3)on2)c1 ZINC000468502119 515390989 /nfs/dbraw/zinc/39/09/89/515390989.db2.gz PCLFIPPQGMUAKI-UHFFFAOYSA-N 1 2 359.389 2.571 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)NCC(C)(C)CC#N)CC2)cc1 ZINC000459262033 515431646 /nfs/dbraw/zinc/43/16/46/515431646.db2.gz TUWIHNNPNLLBLB-UHFFFAOYSA-N 1 2 358.486 2.852 20 30 FFEDLO Cc1oc(NC(=O)C[NH2+][C@H](CO)c2cccc(Cl)c2F)c(C#N)c1C ZINC000499961202 515538310 /nfs/dbraw/zinc/53/83/10/515538310.db2.gz FFNPGHUUIGAZIU-CQSZACIVSA-N 1 2 365.792 2.822 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCCN(c3ccccc3Cl)C2=O)C1=O ZINC000499988458 515547922 /nfs/dbraw/zinc/54/79/22/515547922.db2.gz PLFFLDXRHDXSNP-IAGOWNOFSA-N 1 2 361.873 2.554 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(c3ccccc3Cl)C2=O)C1=O ZINC000499988458 515547934 /nfs/dbraw/zinc/54/79/34/515547934.db2.gz PLFFLDXRHDXSNP-IAGOWNOFSA-N 1 2 361.873 2.554 20 30 FFEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000468868168 515557161 /nfs/dbraw/zinc/55/71/61/515557161.db2.gz HCHSAODZQDPUMI-MRXNPFEDSA-N 1 2 356.470 2.597 20 30 FFEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000468868168 515557166 /nfs/dbraw/zinc/55/71/66/515557166.db2.gz HCHSAODZQDPUMI-MRXNPFEDSA-N 1 2 356.470 2.597 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000500028107 515564983 /nfs/dbraw/zinc/56/49/83/515564983.db2.gz WRYVEDGJSKAFBU-SWLSCSKDSA-N 1 2 369.387 2.751 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000500028107 515564994 /nfs/dbraw/zinc/56/49/94/515564994.db2.gz WRYVEDGJSKAFBU-SWLSCSKDSA-N 1 2 369.387 2.751 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000468911861 515578446 /nfs/dbraw/zinc/57/84/46/515578446.db2.gz LCAWJCZZIJWWCA-KRWDZBQOSA-N 1 2 356.388 2.677 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000459475780 515579390 /nfs/dbraw/zinc/57/93/90/515579390.db2.gz QKRIIBSDCGATTP-IBGZPJMESA-N 1 2 366.421 2.630 20 30 FFEDLO Cc1ccc(C#N)cc1NC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000454652084 515640878 /nfs/dbraw/zinc/64/08/78/515640878.db2.gz VSBQDONTHFGSKD-UHFFFAOYSA-N 1 2 368.437 2.826 20 30 FFEDLO C=CCOC[C@@H]([NH2+]C[C@H](C)c1cccc(Br)c1)C(=O)OC ZINC000482434819 515674802 /nfs/dbraw/zinc/67/48/02/515674802.db2.gz HCLRLWWFTPCXTL-SWLSCSKDSA-N 1 2 356.260 2.886 20 30 FFEDLO Cc1cc(C(=O)NCc2cn3cc(C)ccc3[nH+]2)nn1-c1cccc(C#N)c1 ZINC000505799336 515676298 /nfs/dbraw/zinc/67/62/98/515676298.db2.gz PBSCLLPBWJKBLM-UHFFFAOYSA-N 1 2 370.416 2.939 20 30 FFEDLO N#CC1(F)CC[NH+](CC(=O)N2CCC(OCc3ccccc3)CC2)CC1 ZINC000510950952 515725998 /nfs/dbraw/zinc/72/59/98/515725998.db2.gz METVGYTWPQZHHT-UHFFFAOYSA-N 1 2 359.445 2.522 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000506129266 515791552 /nfs/dbraw/zinc/79/15/52/515791552.db2.gz UPHDSSOPGINPQL-UHFFFAOYSA-N 1 2 369.490 2.627 20 30 FFEDLO Cc1cc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)ncc1C#N ZINC000457542052 515955057 /nfs/dbraw/zinc/95/50/57/515955057.db2.gz QUSTWKNPHVDCQB-HNNXBMFYSA-N 1 2 350.422 2.907 20 30 FFEDLO C=CCC[C@@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000457546980 515960102 /nfs/dbraw/zinc/96/01/02/515960102.db2.gz ZMJYTQOFOWXQPY-HOTGVXAUSA-N 1 2 362.861 2.789 20 30 FFEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)NCC(C)(C)C#N)c2ccc(Cl)cc2)C1 ZINC000501112910 515986583 /nfs/dbraw/zinc/98/65/83/515986583.db2.gz VBJKIAVVEQIJEV-HOTGVXAUSA-N 1 2 364.877 2.561 20 30 FFEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)NCC(C)(C)C#N)c2ccc(Cl)cc2)C1 ZINC000501112910 515986589 /nfs/dbraw/zinc/98/65/89/515986589.db2.gz VBJKIAVVEQIJEV-HOTGVXAUSA-N 1 2 364.877 2.561 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(-c2ccccc2)no1 ZINC000464858096 515991309 /nfs/dbraw/zinc/99/13/09/515991309.db2.gz PPBLTPYTXZRGAY-OAHLLOKOSA-N 1 2 360.421 2.714 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(-c2ccccc2)no1 ZINC000464858096 515991333 /nfs/dbraw/zinc/99/13/33/515991333.db2.gz PPBLTPYTXZRGAY-OAHLLOKOSA-N 1 2 360.421 2.714 20 30 FFEDLO C=CCC1(C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)CCC1 ZINC000479107331 516060762 /nfs/dbraw/zinc/06/07/62/516060762.db2.gz QBNIYCMHIVGUOV-UHFFFAOYSA-N 1 2 361.530 2.574 20 30 FFEDLO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507165861 516108633 /nfs/dbraw/zinc/10/86/33/516108633.db2.gz SMECVSBHIVDAJU-INIZCTEOSA-N 1 2 366.440 2.524 20 30 FFEDLO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507206273 516125467 /nfs/dbraw/zinc/12/54/67/516125467.db2.gz NLUQYGQXIAJHRH-HXUWFJFHSA-N 1 2 366.440 2.649 20 30 FFEDLO Cc1ccc(C)c(N2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)c1 ZINC000483535092 516126341 /nfs/dbraw/zinc/12/63/41/516126341.db2.gz YEFVLJXCRRLPBS-UHFFFAOYSA-N 1 2 362.477 2.614 20 30 FFEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccccc3C#N)CC2)[C@@H]1C ZINC000507281137 516153798 /nfs/dbraw/zinc/15/37/98/516153798.db2.gz SOSFSEMNSARXQU-ZHALLVOQSA-N 1 2 354.498 2.621 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccccc3C#N)CC2)[C@@H]1C ZINC000507281135 516154652 /nfs/dbraw/zinc/15/46/52/516154652.db2.gz SOSFSEMNSARXQU-LMMKCTJWSA-N 1 2 354.498 2.621 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000495484527 516179063 /nfs/dbraw/zinc/17/90/63/516179063.db2.gz KYFAQCSXJBEIIK-IBGZPJMESA-N 1 2 368.868 2.556 20 30 FFEDLO O=C(NCC#Cc1cccc(F)c1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000512197321 516192710 /nfs/dbraw/zinc/19/27/10/516192710.db2.gz OZXPKIWMLAFOAH-UHFFFAOYSA-N 1 2 372.469 2.551 20 30 FFEDLO O=C(NCC#Cc1cccc(F)c1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000512197321 516192719 /nfs/dbraw/zinc/19/27/19/516192719.db2.gz OZXPKIWMLAFOAH-UHFFFAOYSA-N 1 2 372.469 2.551 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)N(C)Cc1ccc(F)cc1)Cc1ccc(CO)o1 ZINC000512228444 516204169 /nfs/dbraw/zinc/20/41/69/516204169.db2.gz NYOFFLGIGFSCMI-UHFFFAOYSA-N 1 2 360.429 2.948 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)N(C)Cc1ccc(F)cc1)Cc1ccc(CO)o1 ZINC000512228444 516204173 /nfs/dbraw/zinc/20/41/73/516204173.db2.gz NYOFFLGIGFSCMI-UHFFFAOYSA-N 1 2 360.429 2.948 20 30 FFEDLO COc1ccc(Cl)c(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)c1 ZINC000484018486 516281902 /nfs/dbraw/zinc/28/19/02/516281902.db2.gz XZFOKHYJFQOKLO-UHFFFAOYSA-N 1 2 359.861 2.584 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000528369570 516385021 /nfs/dbraw/zinc/38/50/21/516385021.db2.gz SJIFRWHVFOJGQK-JXFKEZNVSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000528369570 516385031 /nfs/dbraw/zinc/38/50/31/516385031.db2.gz SJIFRWHVFOJGQK-JXFKEZNVSA-N 1 2 356.397 2.511 20 30 FFEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ncc(C#N)cc3C)CC2)c1 ZINC000550692621 516385987 /nfs/dbraw/zinc/38/59/87/516385987.db2.gz MTJLICZYWITTAG-MRXNPFEDSA-N 1 2 364.449 2.789 20 30 FFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1nc2c(cc1C#N)CCCC2(C)C ZINC000557696861 516389499 /nfs/dbraw/zinc/38/94/99/516389499.db2.gz JMQVXNWZVJSCNF-CRAIPNDOSA-N 1 2 354.498 2.867 20 30 FFEDLO CN(Cc1[nH+]ccn1C)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000523227072 516413738 /nfs/dbraw/zinc/41/37/38/516413738.db2.gz UZEOCLOHHWXHEI-UHFFFAOYSA-N 1 2 350.378 2.736 20 30 FFEDLO N#CCC1CCN(C(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CC1 ZINC000543824133 516446076 /nfs/dbraw/zinc/44/60/76/516446076.db2.gz JEYURTNOMAPEPH-UHFFFAOYSA-N 1 2 364.405 2.965 20 30 FFEDLO CC(C)(CCC#N)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000513107203 516477193 /nfs/dbraw/zinc/47/71/93/516477193.db2.gz CVXRBPZFOXPARU-UHFFFAOYSA-N 1 2 353.470 2.715 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)O[C@@H](CC)C2)cc1 ZINC000523609540 516521188 /nfs/dbraw/zinc/52/11/88/516521188.db2.gz XNSQOARPFAKSTN-AEFFLSMTSA-N 1 2 359.470 2.831 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)O[C@@H](CC)C2)cc1 ZINC000523609540 516521195 /nfs/dbraw/zinc/52/11/95/516521195.db2.gz XNSQOARPFAKSTN-AEFFLSMTSA-N 1 2 359.470 2.831 20 30 FFEDLO COCCc1noc(CC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)n1 ZINC000528622344 516571027 /nfs/dbraw/zinc/57/10/27/516571027.db2.gz ZMQXEQNHCCYADM-UHFFFAOYSA-N 1 2 358.417 2.724 20 30 FFEDLO C=CCSCCNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000513602391 516685000 /nfs/dbraw/zinc/68/50/00/516685000.db2.gz FYEGBKRZIPMARG-UHFFFAOYSA-N 1 2 357.435 2.848 20 30 FFEDLO C[C@@H]1CC(F)(F)CC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000528772522 516685636 /nfs/dbraw/zinc/68/56/36/516685636.db2.gz YELGVZOTXAGTLZ-CYBMUJFWSA-N 1 2 359.380 2.802 20 30 FFEDLO C[C@@H]1CC(F)(F)CC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000528772522 516685640 /nfs/dbraw/zinc/68/56/40/516685640.db2.gz YELGVZOTXAGTLZ-CYBMUJFWSA-N 1 2 359.380 2.802 20 30 FFEDLO N#Cc1cnc(NCc2ccccc2OCC[NH+]2CCOCC2)c(Cl)c1 ZINC000513651911 516705976 /nfs/dbraw/zinc/70/59/76/516705976.db2.gz GGGWSZSYGCQHQW-UHFFFAOYSA-N 1 2 372.856 2.930 20 30 FFEDLO Cc1noc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)n1 ZINC000544476456 516776974 /nfs/dbraw/zinc/77/69/74/516776974.db2.gz BEXKLKBFQFVHQZ-HUUCEWRRSA-N 1 2 355.442 2.981 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H](Nc3nc(N)c4ccccc4[nH+]3)C2=O)cc1 ZINC000540940310 516787789 /nfs/dbraw/zinc/78/77/89/516787789.db2.gz NLJXWPMPHZTTJN-QGZVFWFLSA-N 1 2 358.405 2.522 20 30 FFEDLO Cc1ccnc(-c2noc(C[NH+]3CCC(C#N)(c4ccccn4)CC3)n2)c1 ZINC000519078861 516877262 /nfs/dbraw/zinc/87/72/62/516877262.db2.gz QHRIIEWMENSHOV-UHFFFAOYSA-N 1 2 360.421 2.892 20 30 FFEDLO Cc1nsc(N2CC[NH+](CCOCCOc3ccccc3)CC2)c1C#N ZINC000562053035 516897353 /nfs/dbraw/zinc/89/73/53/516897353.db2.gz ZWIWVJHTQULSQD-UHFFFAOYSA-N 1 2 372.494 2.541 20 30 FFEDLO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3nc(C#N)cs3)cc2)C[C@H](C)O1 ZINC000562078509 516910903 /nfs/dbraw/zinc/91/09/03/516910903.db2.gz KEUGPBZSHRUHDS-KBPBESRZSA-N 1 2 370.478 2.554 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](CC(=O)Nc3cccc4ccccc43)CC2)n1 ZINC000544882352 516975463 /nfs/dbraw/zinc/97/54/63/516975463.db2.gz SPGCQGNMGDAPPP-UHFFFAOYSA-N 1 2 371.444 2.867 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000558897869 516994181 /nfs/dbraw/zinc/99/41/81/516994181.db2.gz DYBDIUDCXCDDKD-AWEZNQCLSA-N 1 2 364.660 2.986 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H](CCc2ccccc2)C(C)C)c1C#N ZINC000562518971 517159939 /nfs/dbraw/zinc/15/99/39/517159939.db2.gz QGTLBENLUSAUAD-QGZVFWFLSA-N 1 2 367.497 2.699 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000532907487 517196367 /nfs/dbraw/zinc/19/63/67/517196367.db2.gz PIBYEYGBMIXODC-CQSZACIVSA-N 1 2 372.856 2.949 20 30 FFEDLO Cc1ccc(C(=O)C2CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000532924936 517204964 /nfs/dbraw/zinc/20/49/64/517204964.db2.gz PPGUNKOABQCPES-FQEVSTJZSA-N 1 2 361.445 2.988 20 30 FFEDLO Cn1c2ccccc2nc1[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000525885690 517215984 /nfs/dbraw/zinc/21/59/84/517215984.db2.gz CDKLVNARHFAVDK-HXUWFJFHSA-N 1 2 373.460 2.815 20 30 FFEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)CCC1 ZINC000525893750 517222283 /nfs/dbraw/zinc/22/22/83/517222283.db2.gz LMFCDFUOBYMPHJ-INIZCTEOSA-N 1 2 370.501 2.594 20 30 FFEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)CCC1 ZINC000525893750 517222294 /nfs/dbraw/zinc/22/22/94/517222294.db2.gz LMFCDFUOBYMPHJ-INIZCTEOSA-N 1 2 370.501 2.594 20 30 FFEDLO COc1cc2c(cc1F)C[N@@H+]([C@@H](C)C(=O)NC1(C#N)CCCCC1)CC2 ZINC000537536316 517222599 /nfs/dbraw/zinc/22/25/99/517222599.db2.gz IRJPYILRXJPWHR-AWEZNQCLSA-N 1 2 359.445 2.924 20 30 FFEDLO COc1cc2c(cc1F)C[N@H+]([C@@H](C)C(=O)NC1(C#N)CCCCC1)CC2 ZINC000537536316 517222605 /nfs/dbraw/zinc/22/26/05/517222605.db2.gz IRJPYILRXJPWHR-AWEZNQCLSA-N 1 2 359.445 2.924 20 30 FFEDLO Cc1[nH+]c2cc(NC(=O)C(=O)Nc3cc(C#N)ccc3Cl)ccc2n1C ZINC000525904486 517225190 /nfs/dbraw/zinc/22/51/90/517225190.db2.gz KHJSZXYCQBWHPE-UHFFFAOYSA-N 1 2 367.796 2.984 20 30 FFEDLO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](C#N)CCC#N)cc1C(F)(F)F ZINC000556049403 517244685 /nfs/dbraw/zinc/24/46/85/517244685.db2.gz VULKWDSNHXVDHW-LBPRGKRZSA-N 1 2 359.373 2.642 20 30 FFEDLO CN(CCCc1[nH]nc(N)c1C#N)c1[nH+]cccc1OCc1ccccc1 ZINC000545484475 517262521 /nfs/dbraw/zinc/26/25/21/517262521.db2.gz XQZHSYUMTOUGGH-UHFFFAOYSA-N 1 2 362.437 2.737 20 30 FFEDLO COCc1ccc(NC(=O)c2ccccc2C[NH+]2CCOCC2)cc1C#N ZINC000529817090 517361660 /nfs/dbraw/zinc/36/16/60/517361660.db2.gz UFLAKBBKQYKOSX-UHFFFAOYSA-N 1 2 365.433 2.789 20 30 FFEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000545922016 517437334 /nfs/dbraw/zinc/43/73/34/517437334.db2.gz WHARWUYFSWJPAQ-UHFFFAOYSA-N 1 2 356.407 2.563 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000559815268 517438366 /nfs/dbraw/zinc/43/83/66/517438366.db2.gz VBUJBAWASFAVDM-UHFFFAOYSA-N 1 2 365.462 2.763 20 30 FFEDLO CC1(C(=O)NCCc2[nH]cc[nH+]2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000552950935 517452366 /nfs/dbraw/zinc/45/23/66/517452366.db2.gz NLFXMSQLJAJICU-UHFFFAOYSA-N 1 2 371.872 2.900 20 30 FFEDLO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000549298446 517500716 /nfs/dbraw/zinc/50/07/16/517500716.db2.gz RTMDLDFAJUORGF-FUHWJXTLSA-N 1 2 368.485 2.673 20 30 FFEDLO C=CCN(CCc1ccccc1)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000538347372 517577083 /nfs/dbraw/zinc/57/70/83/517577083.db2.gz KCCFBKIJQSKTKV-UHFFFAOYSA-N 1 2 365.477 2.785 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cc4c(c(Cl)c3)OCO4)CC2)nc1 ZINC000516153967 517589152 /nfs/dbraw/zinc/58/91/52/517589152.db2.gz YZYBLCOKRPEEFK-UHFFFAOYSA-N 1 2 356.813 2.658 20 30 FFEDLO COc1cc(C#N)ccc1OCc1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000546306915 517634607 /nfs/dbraw/zinc/63/46/07/517634607.db2.gz POSAMAPVRLZKIE-UHFFFAOYSA-N 1 2 361.361 2.767 20 30 FFEDLO C=C(C)Cn1c(-c2ccccc2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000549734667 517681743 /nfs/dbraw/zinc/68/17/43/517681743.db2.gz MJUOTHCLXVUDFO-UHFFFAOYSA-N 1 2 355.486 2.598 20 30 FFEDLO N#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1cccc(Cl)c1Cl ZINC000521293540 517682504 /nfs/dbraw/zinc/68/25/04/517682504.db2.gz XHJKRBFSXGJANO-CYBMUJFWSA-N 1 2 373.203 2.964 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)n1cnc(C#N)n1 ZINC000538640092 517700805 /nfs/dbraw/zinc/70/08/05/517700805.db2.gz AHRDNVVLQFLTTB-ZDUSSCGKSA-N 1 2 361.409 2.549 20 30 FFEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)Cc1noc(C)c1C#N ZINC000542785766 517738999 /nfs/dbraw/zinc/73/89/99/517738999.db2.gz DLOGYMCTMGPCPW-OAHLLOKOSA-N 1 2 363.421 2.747 20 30 FFEDLO N#Cc1csc(C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)n1 ZINC000563233574 517759548 /nfs/dbraw/zinc/75/95/48/517759548.db2.gz IZAQWBPTOGUVGS-OAHLLOKOSA-N 1 2 362.405 2.574 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000516648213 517789577 /nfs/dbraw/zinc/78/95/77/517789577.db2.gz MNHVYZOKXHKXRR-MAUKXSAKSA-N 1 2 366.552 2.859 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000516648213 517789583 /nfs/dbraw/zinc/78/95/83/517789583.db2.gz MNHVYZOKXHKXRR-MAUKXSAKSA-N 1 2 366.552 2.859 20 30 FFEDLO Cn1c2ccccc2[nH+]c1CCCNc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000516753685 517829152 /nfs/dbraw/zinc/82/91/52/517829152.db2.gz XGEAQDSBXPFDNX-UHFFFAOYSA-N 1 2 350.382 2.980 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000550044020 517834906 /nfs/dbraw/zinc/83/49/06/517834906.db2.gz DQFPWVVYQJLFNI-YOEHRIQHSA-N 1 2 365.905 2.920 20 30 FFEDLO COc1cc2c(cc1C[NH+]1CCN(c3ncccc3C#N)CC1)O[C@@H](C)C2 ZINC000534333471 517857536 /nfs/dbraw/zinc/85/75/36/517857536.db2.gz NJKIVUSDWPXZHF-HNNXBMFYSA-N 1 2 364.449 2.607 20 30 FFEDLO C=C(C)[C@H](CC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1)OCC ZINC000534403442 517883584 /nfs/dbraw/zinc/88/35/84/517883584.db2.gz YFNXSNDJWCLMRP-UXHICEINSA-N 1 2 360.498 2.856 20 30 FFEDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000546919361 517921657 /nfs/dbraw/zinc/92/16/57/517921657.db2.gz TZGDGRUKZPCETM-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO CSc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000517067125 518008306 /nfs/dbraw/zinc/00/83/06/518008306.db2.gz AOCDWWVTDCWGPT-INIZCTEOSA-N 1 2 368.462 2.767 20 30 FFEDLO CSc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000517067125 518008315 /nfs/dbraw/zinc/00/83/15/518008315.db2.gz AOCDWWVTDCWGPT-INIZCTEOSA-N 1 2 368.462 2.767 20 30 FFEDLO Cc1cccn2cc(CC(=O)Nc3ccnn3-c3ccc(C#N)cc3)[nH+]c12 ZINC000522173763 518017701 /nfs/dbraw/zinc/01/77/01/518017701.db2.gz JPVHUUJLAYXYNM-UHFFFAOYSA-N 1 2 356.389 2.881 20 30 FFEDLO CCn1cc(C[N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cn1 ZINC000522245234 518045798 /nfs/dbraw/zinc/04/57/98/518045798.db2.gz KCDTVUGJXGULFL-UHFFFAOYSA-N 1 2 353.470 2.899 20 30 FFEDLO CCn1cc(C[N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cn1 ZINC000522245234 518045806 /nfs/dbraw/zinc/04/58/06/518045806.db2.gz KCDTVUGJXGULFL-UHFFFAOYSA-N 1 2 353.470 2.899 20 30 FFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(Br)s2)C(N)=O)cc1 ZINC000522373311 518090198 /nfs/dbraw/zinc/09/01/98/518090198.db2.gz SRNQIFZLRZWVJJ-CYBMUJFWSA-N 1 2 350.241 2.698 20 30 FFEDLO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000517377954 518132827 /nfs/dbraw/zinc/13/28/27/518132827.db2.gz YOCKAZOCVIQPRU-KRWDZBQOSA-N 1 2 350.382 2.996 20 30 FFEDLO Cn1cc(C[NH2+]Cc2ncn(-c3ccccc3)n2)c(-c2ccc(C#N)cc2)n1 ZINC000517397841 518139043 /nfs/dbraw/zinc/13/90/43/518139043.db2.gz CTXCYLGHWXMNJT-UHFFFAOYSA-N 1 2 369.432 2.829 20 30 FFEDLO C=CCCn1cc(C(=O)N2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)nn1 ZINC000566792702 518208716 /nfs/dbraw/zinc/20/87/16/518208716.db2.gz MNXAXESAJUDHMG-INIZCTEOSA-N 1 2 364.453 2.817 20 30 FFEDLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000578466535 518223175 /nfs/dbraw/zinc/22/31/75/518223175.db2.gz HNCZDGZQKZHPJI-KSSFIOAISA-N 1 2 373.453 2.949 20 30 FFEDLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000578466535 518223181 /nfs/dbraw/zinc/22/31/81/518223181.db2.gz HNCZDGZQKZHPJI-KSSFIOAISA-N 1 2 373.453 2.949 20 30 FFEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(F)c(N4C(=O)CCC4=O)c3)n2c1 ZINC000564129863 518318393 /nfs/dbraw/zinc/31/83/93/518318393.db2.gz PSECZXWLNJDMQZ-UHFFFAOYSA-N 1 2 363.352 2.611 20 30 FFEDLO N#C[C@H]1CN(C(=O)[C@H](c2c(F)cccc2Cl)[NH+]2CCCCC2)CCO1 ZINC000575905841 518338072 /nfs/dbraw/zinc/33/80/72/518338072.db2.gz LILGTOSWAWTXMR-GUYCJALGSA-N 1 2 365.836 2.757 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(Cl)c(Br)cc1F ZINC000581551710 518341320 /nfs/dbraw/zinc/34/13/20/518341320.db2.gz XDASUMHUMFRFNX-CYBMUJFWSA-N 1 2 362.630 2.815 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(C(=O)Nc2ccccc2)c1 ZINC000578894578 518426058 /nfs/dbraw/zinc/42/60/58/518426058.db2.gz ODUQBLULENNGMC-HXUWFJFHSA-N 1 2 350.422 2.513 20 30 FFEDLO CCOc1cccc(N2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)n1 ZINC000567259542 518435543 /nfs/dbraw/zinc/43/55/43/518435543.db2.gz WKNBIAMWGIZUQG-UHFFFAOYSA-N 1 2 361.449 2.927 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COC(c1ccccc1)c1ccccc1 ZINC000573005431 518461730 /nfs/dbraw/zinc/46/17/30/518461730.db2.gz PHZVKAVJQLMZSJ-OAQYLSRUSA-N 1 2 351.450 2.753 20 30 FFEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000564533682 518490659 /nfs/dbraw/zinc/49/06/59/518490659.db2.gz UHHWCNJODQGPAR-CQSZACIVSA-N 1 2 360.401 2.976 20 30 FFEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000564533682 518490664 /nfs/dbraw/zinc/49/06/64/518490664.db2.gz UHHWCNJODQGPAR-CQSZACIVSA-N 1 2 360.401 2.976 20 30 FFEDLO CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC1=O ZINC000579126528 518534630 /nfs/dbraw/zinc/53/46/30/518534630.db2.gz NCPNIFJCVGVELE-QYWGDWMGSA-N 1 2 370.497 2.513 20 30 FFEDLO CC(C)(C)c1csc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000582117562 518596134 /nfs/dbraw/zinc/59/61/34/518596134.db2.gz VWMKNBYVKQRRQD-UHFFFAOYSA-N 1 2 363.508 2.876 20 30 FFEDLO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1nc(C(C)(C)C)no1 ZINC000573407423 518647944 /nfs/dbraw/zinc/64/79/44/518647944.db2.gz NABLYLZLKRMTNX-ZFWWWQNUSA-N 1 2 358.442 2.524 20 30 FFEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000567748354 518692102 /nfs/dbraw/zinc/69/21/02/518692102.db2.gz RXOUZTIROBBRFM-OAHLLOKOSA-N 1 2 353.426 2.838 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000570628529 518701572 /nfs/dbraw/zinc/70/15/72/518701572.db2.gz XWOILAUGAKZFEG-QGZVFWFLSA-N 1 2 363.465 2.736 20 30 FFEDLO C[C@@]([NH2+]Cc1ccc(Br)cc1C#N)(C(N)=O)c1ccccc1 ZINC000588202342 518748085 /nfs/dbraw/zinc/74/80/85/518748085.db2.gz NBSCDLXSVLDGIX-KRWDZBQOSA-N 1 2 358.239 2.811 20 30 FFEDLO N#CCc1ccc(S(=O)(=O)Nc2c[nH+]c3n2CCCC3)c(Cl)c1 ZINC000576821425 518779872 /nfs/dbraw/zinc/77/98/72/518779872.db2.gz VNJALIPSDJQPKD-UHFFFAOYSA-N 1 2 350.831 2.740 20 30 FFEDLO N#Cc1ccc(C[N@H+](CCO)Cc2cc(Br)cs2)nc1 ZINC000573694472 518791321 /nfs/dbraw/zinc/79/13/21/518791321.db2.gz CJMDOCPVRFAPLJ-UHFFFAOYSA-N 1 2 352.257 2.772 20 30 FFEDLO N#Cc1ccc(C[N@@H+](CCO)Cc2cc(Br)cs2)nc1 ZINC000573694472 518791325 /nfs/dbraw/zinc/79/13/25/518791325.db2.gz CJMDOCPVRFAPLJ-UHFFFAOYSA-N 1 2 352.257 2.772 20 30 FFEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000570894490 518829462 /nfs/dbraw/zinc/82/94/62/518829462.db2.gz NQMYWSDQIFEPAM-UHFFFAOYSA-N 1 2 363.421 2.564 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCC3CC(F)(F)C3)CC2)cc1 ZINC000570920412 518842235 /nfs/dbraw/zinc/84/22/35/518842235.db2.gz BUSYGICCNHPBBT-UHFFFAOYSA-N 1 2 362.424 2.821 20 30 FFEDLO CC(=O)c1ccc(NC(=O)C[N@H+](C)CCOCc2ccc(C#N)cc2)cc1 ZINC000573837670 518859763 /nfs/dbraw/zinc/85/97/63/518859763.db2.gz WFOZZUMUQAFAKF-UHFFFAOYSA-N 1 2 365.433 2.848 20 30 FFEDLO CC(=O)c1ccc(NC(=O)C[N@@H+](C)CCOCc2ccc(C#N)cc2)cc1 ZINC000573837670 518859771 /nfs/dbraw/zinc/85/97/71/518859771.db2.gz WFOZZUMUQAFAKF-UHFFFAOYSA-N 1 2 365.433 2.848 20 30 FFEDLO CC[C@@H]1c2ccsc2CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588956854 518880055 /nfs/dbraw/zinc/88/00/55/518880055.db2.gz MWLBEEXJYKPROZ-OAHLLOKOSA-N 1 2 361.492 2.798 20 30 FFEDLO CC[C@@H]1c2ccsc2CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588956854 518880059 /nfs/dbraw/zinc/88/00/59/518880059.db2.gz MWLBEEXJYKPROZ-OAHLLOKOSA-N 1 2 361.492 2.798 20 30 FFEDLO Cc1ccc([C@]2(C)CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C2)cc1 ZINC000588967774 518884406 /nfs/dbraw/zinc/88/44/06/518884406.db2.gz STWWSJIHIPDPQW-HXUWFJFHSA-N 1 2 369.490 2.699 20 30 FFEDLO Cc1ccc([C@]2(C)CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C2)cc1 ZINC000588967774 518884410 /nfs/dbraw/zinc/88/44/10/518884410.db2.gz STWWSJIHIPDPQW-HXUWFJFHSA-N 1 2 369.490 2.699 20 30 FFEDLO COc1cccc([C@H](NC(=O)c2cc(O)cc(C#N)c2)c2[nH+]ccn2C)c1 ZINC000589166649 518937080 /nfs/dbraw/zinc/93/70/80/518937080.db2.gz XRWYASGGZXHZFC-SFHVURJKSA-N 1 2 362.389 2.525 20 30 FFEDLO COC(=O)c1ccc(Cl)c(C[NH+]2CCN(c3cnccc3C#N)CC2)c1 ZINC000571142175 518946436 /nfs/dbraw/zinc/94/64/36/518946436.db2.gz QEDSZWRJUVSTNT-UHFFFAOYSA-N 1 2 370.840 2.715 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCC(OC)(C(F)(F)F)CC2)c1C#N ZINC000571150468 518949746 /nfs/dbraw/zinc/94/97/46/518949746.db2.gz ODVJUKDWKRILFJ-UHFFFAOYSA-N 1 2 356.344 2.888 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc(N2CCOCC2)s1 ZINC000582871958 518961541 /nfs/dbraw/zinc/96/15/41/518961541.db2.gz PPAHPRNDPOPESB-UHFFFAOYSA-N 1 2 363.483 2.643 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc(N2CCOCC2)s1 ZINC000582871958 518961549 /nfs/dbraw/zinc/96/15/49/518961549.db2.gz PPAHPRNDPOPESB-UHFFFAOYSA-N 1 2 363.483 2.643 20 30 FFEDLO COc1cc(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1C#N ZINC000589607935 519040573 /nfs/dbraw/zinc/04/05/73/519040573.db2.gz KGIXTXHIBOWDDB-UHFFFAOYSA-N 1 2 361.405 2.752 20 30 FFEDLO Cc1ccc(-n2nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c3c2CCCC3)cc1 ZINC000571331223 519042047 /nfs/dbraw/zinc/04/20/47/519042047.db2.gz NUDCWEZYEBSABG-OAQYLSRUSA-N 1 2 365.481 2.633 20 30 FFEDLO COc1cc(C#N)ccc1NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000574228166 519049753 /nfs/dbraw/zinc/04/97/53/519049753.db2.gz BGZSJUYTVUFNTE-UHFFFAOYSA-N 1 2 351.406 2.651 20 30 FFEDLO Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000574257840 519066749 /nfs/dbraw/zinc/06/67/49/519066749.db2.gz IBOXRVFKCIANLO-UHFFFAOYSA-N 1 2 352.486 2.844 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCOc1cccc(Br)c1 ZINC000565778655 519129209 /nfs/dbraw/zinc/12/92/09/519129209.db2.gz PUEZNWXQAMAFDL-INIZCTEOSA-N 1 2 368.275 2.568 20 30 FFEDLO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000583479792 519268508 /nfs/dbraw/zinc/26/85/08/519268508.db2.gz WWRRQSFIGRYRIY-WFASDCNBSA-N 1 2 361.243 2.588 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](C2CC2)[C@H]2CCc3ccccc32)nc1 ZINC000569030335 519339755 /nfs/dbraw/zinc/33/97/55/519339755.db2.gz GWZWRZRHWMDKSZ-IBGZPJMESA-N 1 2 367.474 2.879 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](C2CC2)[C@H]2CCc3ccccc32)nc1 ZINC000569030335 519339761 /nfs/dbraw/zinc/33/97/61/519339761.db2.gz GWZWRZRHWMDKSZ-IBGZPJMESA-N 1 2 367.474 2.879 20 30 FFEDLO N#Cc1c(Cl)cccc1N1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000590835351 519392599 /nfs/dbraw/zinc/39/25/99/519392599.db2.gz IHBPTFQOLCYGMR-UHFFFAOYSA-N 1 2 368.868 2.650 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000569159021 519407123 /nfs/dbraw/zinc/40/71/23/519407123.db2.gz GBVYLJVDBKRBEB-QAPCUYQASA-N 1 2 354.853 2.887 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000569159021 519407128 /nfs/dbraw/zinc/40/71/28/519407128.db2.gz GBVYLJVDBKRBEB-QAPCUYQASA-N 1 2 354.853 2.887 20 30 FFEDLO C=CCC[C@@H](NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000572032545 519410464 /nfs/dbraw/zinc/41/04/64/519410464.db2.gz CDNIXOMIEVGDAA-ZWKOTPCHSA-N 1 2 366.465 2.560 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000572114911 519452046 /nfs/dbraw/zinc/45/20/46/519452046.db2.gz GHARZUUKDYEFEB-UYAOXDASSA-N 1 2 369.852 2.636 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000572114911 519452052 /nfs/dbraw/zinc/45/20/52/519452052.db2.gz GHARZUUKDYEFEB-UYAOXDASSA-N 1 2 369.852 2.636 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H](Nc3cc(N4CCCC4)nc[nH+]3)C2=O)cc1 ZINC000581267496 519606975 /nfs/dbraw/zinc/60/69/75/519606975.db2.gz ADGIKYPRSWQAOJ-QGZVFWFLSA-N 1 2 362.437 2.556 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H](Nc3cc(N4CCCC4)[nH+]cn3)C2=O)cc1 ZINC000581267496 519606981 /nfs/dbraw/zinc/60/69/81/519606981.db2.gz ADGIKYPRSWQAOJ-QGZVFWFLSA-N 1 2 362.437 2.556 20 30 FFEDLO C=CC[N@H+](Cc1ncnn1C(C)(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000569556061 519607882 /nfs/dbraw/zinc/60/78/82/519607882.db2.gz WCRCYHFQXGRHBX-OAHLLOKOSA-N 1 2 366.473 2.758 20 30 FFEDLO C=CC[N@@H+](Cc1ncnn1C(C)(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000569556061 519607889 /nfs/dbraw/zinc/60/78/89/519607889.db2.gz WCRCYHFQXGRHBX-OAHLLOKOSA-N 1 2 366.473 2.758 20 30 FFEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H](C)CC#N)c1C#N ZINC000602870350 519940888 /nfs/dbraw/zinc/94/08/88/519940888.db2.gz SNONCKITNSISEC-LBPRGKRZSA-N 1 2 353.401 2.935 20 30 FFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)CC1(C#N)CCOCC1 ZINC000597312780 519950629 /nfs/dbraw/zinc/95/06/29/519950629.db2.gz MEBJGHXWKZLKOY-UHFFFAOYSA-N 1 2 352.438 2.600 20 30 FFEDLO C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909242 519966566 /nfs/dbraw/zinc/96/65/66/519966566.db2.gz KHAJRURGUJWPGM-HNNXBMFYSA-N 1 2 359.437 2.870 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000602929314 519978682 /nfs/dbraw/zinc/97/86/82/519978682.db2.gz WPJUMMVYTIDNPE-UHFFFAOYSA-N 1 2 364.371 2.719 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000602929314 519978685 /nfs/dbraw/zinc/97/86/85/519978685.db2.gz WPJUMMVYTIDNPE-UHFFFAOYSA-N 1 2 364.371 2.719 20 30 FFEDLO C[N@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)[C@@H]1CCC[C@H]1C#N ZINC000602977888 520002944 /nfs/dbraw/zinc/00/29/44/520002944.db2.gz ILIKQJVTQGTIDR-GOEBONIOSA-N 1 2 369.387 2.868 20 30 FFEDLO C[N@@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)[C@@H]1CCC[C@H]1C#N ZINC000602977888 520002950 /nfs/dbraw/zinc/00/29/50/520002950.db2.gz ILIKQJVTQGTIDR-GOEBONIOSA-N 1 2 369.387 2.868 20 30 FFEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC000594543734 520019977 /nfs/dbraw/zinc/01/99/77/520019977.db2.gz KKJUNTLHKJVWHY-CYBMUJFWSA-N 1 2 350.451 2.841 20 30 FFEDLO Cc1nn(-c2cccc(Br)c2)cc1C[NH+]1CCN(CC#N)CC1 ZINC000594602461 520047743 /nfs/dbraw/zinc/04/77/43/520047743.db2.gz MFGUKGCKLBXPRL-UHFFFAOYSA-N 1 2 374.286 2.584 20 30 FFEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)c2ncc3c(c2C#N)CCC3)on1 ZINC000591823856 520053501 /nfs/dbraw/zinc/05/35/01/520053501.db2.gz APOBSCKGHOAKPD-HOTGVXAUSA-N 1 2 369.444 2.787 20 30 FFEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)c2ncc3c(c2C#N)CCC3)on1 ZINC000591823856 520053511 /nfs/dbraw/zinc/05/35/11/520053511.db2.gz APOBSCKGHOAKPD-HOTGVXAUSA-N 1 2 369.444 2.787 20 30 FFEDLO C[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC(F)F ZINC000592030532 520143198 /nfs/dbraw/zinc/14/31/98/520143198.db2.gz WQORPXGUDIRNQL-AWEZNQCLSA-N 1 2 350.413 2.677 20 30 FFEDLO CCCC[C@H](C(=O)OC)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000608991171 520175937 /nfs/dbraw/zinc/17/59/37/520175937.db2.gz IKYRRTSASZKBHW-LJQANCHMSA-N 1 2 366.465 2.960 20 30 FFEDLO N#Cc1cc(Cl)c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c(Cl)c1 ZINC000597708251 520188251 /nfs/dbraw/zinc/18/82/51/520188251.db2.gz VQZUYJWHRSARGB-ZDUSSCGKSA-N 1 2 368.264 2.802 20 30 FFEDLO CC(C)c1ccc([C@H](NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)C(C)C)cc1 ZINC000592148673 520226686 /nfs/dbraw/zinc/22/66/86/520226686.db2.gz YVVBDOCBHPZCJR-NHCUHLMSSA-N 1 2 357.498 2.974 20 30 FFEDLO CC(C)c1ccc([C@H](NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)C(C)C)cc1 ZINC000592148673 520226694 /nfs/dbraw/zinc/22/66/94/520226694.db2.gz YVVBDOCBHPZCJR-NHCUHLMSSA-N 1 2 357.498 2.974 20 30 FFEDLO Cc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+]3CC[C@](O)(CC#N)C3)n2)cc1 ZINC000592149027 520227602 /nfs/dbraw/zinc/22/76/02/520227602.db2.gz HDWFQUJWJFJIIY-IFXJQAMLSA-N 1 2 370.478 2.796 20 30 FFEDLO Cc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+]3CC[C@](O)(CC#N)C3)n2)cc1 ZINC000592149027 520227607 /nfs/dbraw/zinc/22/76/07/520227607.db2.gz HDWFQUJWJFJIIY-IFXJQAMLSA-N 1 2 370.478 2.796 20 30 FFEDLO N#Cc1ccc(CNC(=O)NCCNc2ccc3ccccc3[nH+]2)c(F)c1 ZINC000609254319 520245491 /nfs/dbraw/zinc/24/54/91/520245491.db2.gz IQBHAGFRDLMBDR-UHFFFAOYSA-N 1 2 363.396 2.579 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000609485827 520328235 /nfs/dbraw/zinc/32/82/35/520328235.db2.gz YHYNQEDVDZDWED-OAQYLSRUSA-N 1 2 368.525 2.978 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000609485670 520328850 /nfs/dbraw/zinc/32/88/50/520328850.db2.gz UYYSZROODJLEJE-AXMIXWAOSA-N 1 2 372.557 2.626 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000609486304 520329818 /nfs/dbraw/zinc/32/98/18/520329818.db2.gz HWJLHPSEQQVPQP-RTWAWAEBSA-N 1 2 368.525 2.906 20 30 FFEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597942488 520342579 /nfs/dbraw/zinc/34/25/79/520342579.db2.gz ZJWKPYJIDJFKHX-FQEVSTJZSA-N 1 2 372.469 2.560 20 30 FFEDLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609539319 520349319 /nfs/dbraw/zinc/34/93/19/520349319.db2.gz XNFVSYALIMWMJZ-NSHGMRRFSA-N 1 2 356.514 2.727 20 30 FFEDLO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000603836847 520373536 /nfs/dbraw/zinc/37/35/36/520373536.db2.gz PHILTJSLNMUROG-BBWFWOEESA-N 1 2 372.488 2.997 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1nsc2ccccc21 ZINC000595338945 520414090 /nfs/dbraw/zinc/41/40/90/520414090.db2.gz MNQPCOYXJMNSGO-ZDUSSCGKSA-N 1 2 350.451 2.669 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1nsc2ccccc21 ZINC000595338945 520414097 /nfs/dbraw/zinc/41/40/97/520414097.db2.gz MNQPCOYXJMNSGO-ZDUSSCGKSA-N 1 2 350.451 2.669 20 30 FFEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000604172435 520468331 /nfs/dbraw/zinc/46/83/31/520468331.db2.gz ODNZBLLVGBEKAR-IBGZPJMESA-N 1 2 352.438 2.739 20 30 FFEDLO C=CCCSCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000595438654 520469555 /nfs/dbraw/zinc/46/95/55/520469555.db2.gz VJWIHXPWCVISIF-SFHVURJKSA-N 1 2 363.527 2.668 20 30 FFEDLO CC[C@H](C(=O)N1CCc2c(CC#N)cccc2C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000600790117 520472016 /nfs/dbraw/zinc/47/20/16/520472016.db2.gz VWRLUZYRHHAYEP-UYAOXDASSA-N 1 2 355.482 2.527 20 30 FFEDLO CC[C@H](C(=O)N1CCc2c(CC#N)cccc2C1)[N@H+]1CCO[C@H](CC)C1 ZINC000600790117 520472024 /nfs/dbraw/zinc/47/20/24/520472024.db2.gz VWRLUZYRHHAYEP-UYAOXDASSA-N 1 2 355.482 2.527 20 30 FFEDLO CCCCCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000600830151 520492488 /nfs/dbraw/zinc/49/24/88/520492488.db2.gz QRJBXNYJTZQTRB-APWZRJJASA-N 1 2 360.477 2.703 20 30 FFEDLO Cc1noc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1[N+](=O)[O-] ZINC000595484992 520502647 /nfs/dbraw/zinc/50/26/47/520502647.db2.gz UEJTXSGASIULHM-UHFFFAOYSA-N 1 2 360.345 2.945 20 30 FFEDLO CC(C)(CO)[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccnc1 ZINC000595502503 520512363 /nfs/dbraw/zinc/51/23/63/520512363.db2.gz YTCSKVBXOYBKRC-SFHVURJKSA-N 1 2 363.421 2.853 20 30 FFEDLO Cc1ncc(C[N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)s1 ZINC000604482998 520574575 /nfs/dbraw/zinc/57/45/75/520574575.db2.gz MYVWEWBHZATFPB-UHFFFAOYSA-N 1 2 366.450 2.579 20 30 FFEDLO Cc1ncc(C[N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)s1 ZINC000604482998 520574583 /nfs/dbraw/zinc/57/45/83/520574583.db2.gz MYVWEWBHZATFPB-UHFFFAOYSA-N 1 2 366.450 2.579 20 30 FFEDLO Cc1cccc2c1ncc(C#N)c2NCc1ccc[nH+]c1N1CCOCC1 ZINC000610211236 520582194 /nfs/dbraw/zinc/58/21/94/520582194.db2.gz GFQYGUWFKIHAIT-UHFFFAOYSA-N 1 2 359.433 2.681 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)c2ccccc2CC#N)[NH+]2CCOCC2)c1 ZINC000600997005 520584690 /nfs/dbraw/zinc/58/46/90/520584690.db2.gz NPMVHNZDHKQYCP-NRFANRHFSA-N 1 2 363.461 2.864 20 30 FFEDLO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595610297 520589039 /nfs/dbraw/zinc/58/90/39/520589039.db2.gz VVWHGPSXFAXQAB-MRXNPFEDSA-N 1 2 356.470 2.733 20 30 FFEDLO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595610297 520589045 /nfs/dbraw/zinc/58/90/45/520589045.db2.gz VVWHGPSXFAXQAB-MRXNPFEDSA-N 1 2 356.470 2.733 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595615701 520594173 /nfs/dbraw/zinc/59/41/73/520594173.db2.gz RTMIXJLULBKZAT-DLBZAZTESA-N 1 2 354.454 2.956 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595615701 520594181 /nfs/dbraw/zinc/59/41/81/520594181.db2.gz RTMIXJLULBKZAT-DLBZAZTESA-N 1 2 354.454 2.956 20 30 FFEDLO COC(=O)[C@H](c1cccc(OC)c1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000595678199 520642381 /nfs/dbraw/zinc/64/23/81/520642381.db2.gz RSTVPFNYMDCNRE-SFHVURJKSA-N 1 2 360.454 2.942 20 30 FFEDLO COC(=O)[C@H](c1cccc(OC)c1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000595678199 520642391 /nfs/dbraw/zinc/64/23/91/520642391.db2.gz RSTVPFNYMDCNRE-SFHVURJKSA-N 1 2 360.454 2.942 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1C#N ZINC000595756045 520700938 /nfs/dbraw/zinc/70/09/38/520700938.db2.gz CIYOZSKEQRNGBB-HRAATJIYSA-N 1 2 370.497 2.877 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c1C#N ZINC000595756045 520700946 /nfs/dbraw/zinc/70/09/46/520700946.db2.gz CIYOZSKEQRNGBB-HRAATJIYSA-N 1 2 370.497 2.877 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCn3c(CC4CC4)nnc3C2)c(OC(F)F)c1 ZINC000593053580 520711663 /nfs/dbraw/zinc/71/16/63/520711663.db2.gz HQBDIWFSPMVRIL-UHFFFAOYSA-N 1 2 359.380 2.719 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCn3c(CC4CC4)nnc3C2)c(OC(F)F)c1 ZINC000593053580 520711669 /nfs/dbraw/zinc/71/16/69/520711669.db2.gz HQBDIWFSPMVRIL-UHFFFAOYSA-N 1 2 359.380 2.719 20 30 FFEDLO C[C@@]1(CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1(F)F ZINC000595778025 520718633 /nfs/dbraw/zinc/71/86/33/520718633.db2.gz NREUYJWENHIETN-GOSISDBHSA-N 1 2 362.424 2.821 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](N(C)c3ccccc3)C2)c(C#N)c1C ZINC000595826262 520748786 /nfs/dbraw/zinc/74/87/86/520748786.db2.gz LGGVGTOFACMQBJ-KRWDZBQOSA-N 1 2 352.438 2.917 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)c(C#N)c1C ZINC000595826262 520748794 /nfs/dbraw/zinc/74/87/94/520748794.db2.gz LGGVGTOFACMQBJ-KRWDZBQOSA-N 1 2 352.438 2.917 20 30 FFEDLO N#CC1(NC(=O)C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)CCCCC1 ZINC000595827486 520750614 /nfs/dbraw/zinc/75/06/14/520750614.db2.gz COIOSHIWBHVORG-AWEZNQCLSA-N 1 2 370.280 2.959 20 30 FFEDLO Cc1ccnc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)c1 ZINC000610613795 520765162 /nfs/dbraw/zinc/76/51/62/520765162.db2.gz PCAGBFQYHODTBZ-UHFFFAOYSA-N 1 2 360.364 2.934 20 30 FFEDLO Cc1ccnc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)c1 ZINC000610613795 520765169 /nfs/dbraw/zinc/76/51/69/520765169.db2.gz PCAGBFQYHODTBZ-UHFFFAOYSA-N 1 2 360.364 2.934 20 30 FFEDLO CN(C(=O)C[NH+]1CC(c2nc3ccccc3[nH]2)C1)C1(C#N)CCCCC1 ZINC000610701469 520803344 /nfs/dbraw/zinc/80/33/44/520803344.db2.gz MOMGWLSPACXZAX-UHFFFAOYSA-N 1 2 351.454 2.647 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000610701434 520804031 /nfs/dbraw/zinc/80/40/31/520804031.db2.gz DQEYUJQSAIGVQL-CQSZACIVSA-N 1 2 351.454 2.693 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[NH2+]CC(F)(F)c2ccc(F)cc2)cc1 ZINC000596064787 520889745 /nfs/dbraw/zinc/88/97/45/520889745.db2.gz KEKXKUHQFIKNCG-INIZCTEOSA-N 1 2 350.340 2.819 20 30 FFEDLO Cc1ccc([C@H](CNc2nc(C#N)c(Cl)s2)[NH+]2CCOCC2)cc1 ZINC000596085025 520902598 /nfs/dbraw/zinc/90/25/98/520902598.db2.gz GFWASMGEDGIIMX-HNNXBMFYSA-N 1 2 362.886 2.884 20 30 FFEDLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2c(C#N)cnn2C)CC1 ZINC000596136848 520932399 /nfs/dbraw/zinc/93/23/99/520932399.db2.gz FMGQCFWXWJYGRK-ZDUSSCGKSA-N 1 2 374.286 2.937 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000610993688 520936759 /nfs/dbraw/zinc/93/67/59/520936759.db2.gz BMBXBDAJKAMZGD-OAHLLOKOSA-N 1 2 368.868 2.882 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000610993688 520936767 /nfs/dbraw/zinc/93/67/67/520936767.db2.gz BMBXBDAJKAMZGD-OAHLLOKOSA-N 1 2 368.868 2.882 20 30 FFEDLO CCc1nc(C#N)cc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)n1 ZINC000596172711 520949767 /nfs/dbraw/zinc/94/97/67/520949767.db2.gz XNTGEEYXGLHCSJ-UHFFFAOYSA-N 1 2 364.478 2.843 20 30 FFEDLO C[C@@H]1CCCc2ncc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)n21 ZINC000593388723 520959023 /nfs/dbraw/zinc/95/90/23/520959023.db2.gz KDUFSYJYWXNXHC-MRXNPFEDSA-N 1 2 363.465 2.610 20 30 FFEDLO N#Cc1ccc(CCC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1 ZINC000601850208 520987054 /nfs/dbraw/zinc/98/70/54/520987054.db2.gz BFORBTMQEYNIOC-UHFFFAOYSA-N 1 2 366.490 2.755 20 30 FFEDLO Cc1nc(N2CC[C@H](Oc3ccc(C#N)cn3)C2)c(Br)c(C)[nH+]1 ZINC000596238451 520988487 /nfs/dbraw/zinc/98/84/87/520988487.db2.gz SULYJHUERDUELK-ZDUSSCGKSA-N 1 2 374.242 2.780 20 30 FFEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)cn1 ZINC000611139997 521005678 /nfs/dbraw/zinc/00/56/78/521005678.db2.gz DNRXIRUBWQBEFY-MRXNPFEDSA-N 1 2 352.438 2.857 20 30 FFEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)cn1 ZINC000611139997 521005684 /nfs/dbraw/zinc/00/56/84/521005684.db2.gz DNRXIRUBWQBEFY-MRXNPFEDSA-N 1 2 352.438 2.857 20 30 FFEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1)c1ccc2ccccc2c1 ZINC000611174130 521023444 /nfs/dbraw/zinc/02/34/44/521023444.db2.gz DXVVGDZSDNCNAI-MSOLQXFVSA-N 1 2 364.493 2.937 20 30 FFEDLO C[C@H](NC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccc2ccccc2c1 ZINC000611175290 521024267 /nfs/dbraw/zinc/02/42/67/521024267.db2.gz CUGTXFIHGZSXNJ-KRWDZBQOSA-N 1 2 350.466 2.548 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1OC ZINC000611260334 521064201 /nfs/dbraw/zinc/06/42/01/521064201.db2.gz SZHJHORYZSWLRB-UHFFFAOYSA-N 1 2 368.437 2.763 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1[N+](=O)[O-] ZINC000599180185 521073423 /nfs/dbraw/zinc/07/34/23/521073423.db2.gz VOKGYRUDARFSCV-UHFFFAOYSA-N 1 2 362.393 2.665 20 30 FFEDLO CCO[C@H](C)c1nc(C[N@H+](C)C[C@H](O)CC2(C#N)CCOCC2)cs1 ZINC000599300266 521135375 /nfs/dbraw/zinc/13/53/75/521135375.db2.gz ORXJHAJXZJTPOJ-GDBMZVCRSA-N 1 2 367.515 2.744 20 30 FFEDLO CCO[C@H](C)c1nc(C[N@@H+](C)C[C@H](O)CC2(C#N)CCOCC2)cs1 ZINC000599300266 521135383 /nfs/dbraw/zinc/13/53/83/521135383.db2.gz ORXJHAJXZJTPOJ-GDBMZVCRSA-N 1 2 367.515 2.744 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000599365680 521176082 /nfs/dbraw/zinc/17/60/82/521176082.db2.gz GHFSWSLWHQZATD-QZTJIDSGSA-N 1 2 364.873 2.785 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000599365680 521176087 /nfs/dbraw/zinc/17/60/87/521176087.db2.gz GHFSWSLWHQZATD-QZTJIDSGSA-N 1 2 364.873 2.785 20 30 FFEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000614922235 521194809 /nfs/dbraw/zinc/19/48/09/521194809.db2.gz NPSNVFVMXKWVLI-MLGOLLRUSA-N 1 2 355.360 2.929 20 30 FFEDLO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000614922235 521194815 /nfs/dbraw/zinc/19/48/15/521194815.db2.gz NPSNVFVMXKWVLI-MLGOLLRUSA-N 1 2 355.360 2.929 20 30 FFEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C#N)c1ccccc1Br)CC2 ZINC000599489254 521255917 /nfs/dbraw/zinc/25/59/17/521255917.db2.gz UGVOYFBVEGGZTB-IUODEOHRSA-N 1 2 373.254 2.898 20 30 FFEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000618850034 521263832 /nfs/dbraw/zinc/26/38/32/521263832.db2.gz FIUVZJNBOVZWAQ-FQEVSTJZSA-N 1 2 371.444 2.927 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC000602335097 521287382 /nfs/dbraw/zinc/28/73/82/521287382.db2.gz UQMQTMRGMLFNQU-XIRDDKMYSA-N 1 2 364.287 2.687 20 30 FFEDLO C=CCOCC[NH2+][C@@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000599595496 521319092 /nfs/dbraw/zinc/31/90/92/521319092.db2.gz VCWCXBHQYABGNP-KRWDZBQOSA-N 1 2 368.271 2.642 20 30 FFEDLO CCO[C@@H](C)c1nc(CN2CC[NH+](Cc3cccc(C#N)n3)CC2)cs1 ZINC000602480823 521370503 /nfs/dbraw/zinc/37/05/03/521370503.db2.gz CGQUZZDKFPZZSI-HNNXBMFYSA-N 1 2 371.510 2.825 20 30 FFEDLO N#C[C@]1(F)CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000615538348 521435235 /nfs/dbraw/zinc/43/52/35/521435235.db2.gz BCLJOGRNSUWZFQ-FZKQIMNGSA-N 1 2 366.387 2.576 20 30 FFEDLO N#C[C@]1(F)CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000615538348 521435243 /nfs/dbraw/zinc/43/52/43/521435243.db2.gz BCLJOGRNSUWZFQ-FZKQIMNGSA-N 1 2 366.387 2.576 20 30 FFEDLO N#C[C@@]1(F)CCN(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)C1 ZINC000615541380 521435814 /nfs/dbraw/zinc/43/58/14/521435814.db2.gz OZZWAWAPJWUZHI-IBGZPJMESA-N 1 2 355.417 2.663 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000597043546 521464587 /nfs/dbraw/zinc/46/45/87/521464587.db2.gz VFDQYEDNQYAMLK-MGPQQGTHSA-N 1 2 359.227 2.667 20 30 FFEDLO Cc1cc(NCCNC(=O)Nc2cccc(CC#N)c2)nc(C(C)C)[nH+]1 ZINC000599793740 521477250 /nfs/dbraw/zinc/47/72/50/521477250.db2.gz IVLMNEJEMKLYAA-UHFFFAOYSA-N 1 2 352.442 2.630 20 30 FFEDLO C=CC[N@H+](C[C@@H]1CNc2ccnn2C1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000619266736 521483844 /nfs/dbraw/zinc/48/38/44/521483844.db2.gz SSBSKHNFJGTHNX-OALUTQOASA-N 1 2 368.481 2.587 20 30 FFEDLO C=CC[N@@H+](C[C@@H]1CNc2ccnn2C1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000619266736 521483851 /nfs/dbraw/zinc/48/38/51/521483851.db2.gz SSBSKHNFJGTHNX-OALUTQOASA-N 1 2 368.481 2.587 20 30 FFEDLO CCOC(=O)c1ncc(C[NH+]2CCN(c3ccccc3C#N)CC2)s1 ZINC000602770306 521523246 /nfs/dbraw/zinc/52/32/46/521523246.db2.gz PFASWFYWQUCJQN-UHFFFAOYSA-N 1 2 356.451 2.514 20 30 FFEDLO N#Cc1sccc1N1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000597183599 521563362 /nfs/dbraw/zinc/56/33/62/521563362.db2.gz MRKDDFIKLCKVKH-UHFFFAOYSA-N 1 2 353.495 2.937 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)Cc2[nH]cc[nH+]2)c1C#N ZINC000616013035 521603685 /nfs/dbraw/zinc/60/36/85/521603685.db2.gz QESRYPMVWUWZQB-UHFFFAOYSA-N 1 2 362.437 2.759 20 30 FFEDLO CC(C)(COCc1ccccc1)NC(=O)NCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000619650581 521813224 /nfs/dbraw/zinc/81/32/24/521813224.db2.gz FBJIAIGAYOTFRU-OAQYLSRUSA-N 1 2 372.513 2.907 20 30 FFEDLO CC(C)(COCc1ccccc1)NC(=O)NCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000619650581 521813233 /nfs/dbraw/zinc/81/32/33/521813233.db2.gz FBJIAIGAYOTFRU-OAQYLSRUSA-N 1 2 372.513 2.907 20 30 FFEDLO CN(C)c1c[nH+]ccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000619808513 521882775 /nfs/dbraw/zinc/88/27/75/521882775.db2.gz ONBSQVMUEQMIMN-UHFFFAOYSA-N 1 2 365.437 2.516 20 30 FFEDLO C=CCC[C@@H](C(=O)N1CC[NH+](CCc2cnccn2)CC1)c1ccccc1 ZINC000634510346 523465426 /nfs/dbraw/zinc/46/54/26/523465426.db2.gz XBWVUDHMKQEGOU-OAQYLSRUSA-N 1 2 364.493 2.913 20 30 FFEDLO C=CC(C)(C)CCNC(=O)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000625565987 523541287 /nfs/dbraw/zinc/54/12/87/523541287.db2.gz CSHZSTDZIHGJQA-OAHLLOKOSA-N 1 2 363.527 2.672 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1sccc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000031173499 535777344 /nfs/dbraw/zinc/77/73/44/535777344.db2.gz CTOLFZHWNJSRHL-CQSZACIVSA-N 1 2 357.435 2.720 20 30 FFEDLO CC[N@H+](CC(=O)Nc1sccc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000031173499 535777348 /nfs/dbraw/zinc/77/73/48/535777348.db2.gz CTOLFZHWNJSRHL-CQSZACIVSA-N 1 2 357.435 2.720 20 30 FFEDLO C[C@@H]1CN(c2ccc(Nc3nccc(C#N)c3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000471617521 561008895 /nfs/dbraw/zinc/00/88/95/561008895.db2.gz GLKKTZYZPIQWTM-TXEJJXNPSA-N 1 2 354.370 2.614 20 30 FFEDLO N#CC1(C[C@@H](O)Cn2nc(C(F)(F)F)c3c[nH+]ccc32)CCOCC1 ZINC000601959416 567886536 /nfs/dbraw/zinc/88/65/36/567886536.db2.gz QOSWTMPTCCNNOO-LLVKDONJSA-N 1 2 354.332 2.521 20 30 FFEDLO FC(F)(F)c1cc(NN=Cc2cccc3[nH+]ccn32)ccc1-c1nn[nH]n1 ZINC000822723697 607325951 /nfs/dbraw/zinc/32/59/51/607325951.db2.gz LASDVPBLEBJFOJ-UHFFFAOYSA-N 1 2 372.314 2.979 20 30 FFEDLO C=CC[N@@H+](Cc1nn(C)c2ccccc12)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914818 608632546 /nfs/dbraw/zinc/63/25/46/608632546.db2.gz OAXLCXHLVARPAA-UHFFFAOYSA-N 1 2 359.437 2.942 20 30 FFEDLO C=CC[N@H+](Cc1nn(C)c2ccccc12)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914818 608632547 /nfs/dbraw/zinc/63/25/47/608632547.db2.gz OAXLCXHLVARPAA-UHFFFAOYSA-N 1 2 359.437 2.942 20 30 FFEDLO C#CCSCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000152892043 728768054 /nfs/dbraw/zinc/76/80/54/728768054.db2.gz OARBREIETAGRTN-MSOLQXFVSA-N 1 2 354.479 2.777 20 30 FFEDLO Clc1ccc(N[NH+]=Cc2c(N3CCOCC3)nc3ccccn32)cn1 ZINC000743450707 735298565 /nfs/dbraw/zinc/29/85/65/735298565.db2.gz YDNZHVDSFXBTCU-UHFFFAOYSA-N 1 2 356.817 2.665 20 30 FFEDLO C#CCNC(=O)[C@H](C)[N@H+](CCC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000128245945 728708339 /nfs/dbraw/zinc/70/83/39/728708339.db2.gz VWXWFTHOWYHERQ-LBPRGKRZSA-N 1 2 370.280 2.782 20 30 FFEDLO C#CCNC(=O)[C@H](C)[N@@H+](CCC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000128245945 728708340 /nfs/dbraw/zinc/70/83/40/728708340.db2.gz VWXWFTHOWYHERQ-LBPRGKRZSA-N 1 2 370.280 2.782 20 30 FFEDLO C#CC[NH+]1CCN(Cn2nc(CCCc3ccccc3)oc2=S)CC1 ZINC000173300027 729043778 /nfs/dbraw/zinc/04/37/78/729043778.db2.gz NTUJRIFPEYOJTE-UHFFFAOYSA-N 1 2 356.495 2.589 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000443975373 729876870 /nfs/dbraw/zinc/87/68/70/729876870.db2.gz ZUXOQERQIWTLIE-GFCCVEGCSA-N 1 2 364.858 2.513 20 30 FFEDLO C[NH+](C)Cc1csc(CNC(=O)NC2(c3cccc(C#N)c3)CC2)n1 ZINC000924775757 738447513 /nfs/dbraw/zinc/44/75/13/738447513.db2.gz HFOPFOBUNUHTRX-UHFFFAOYSA-N 1 2 355.467 2.565 20 30 FFEDLO CC[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cccc(C#N)c1O ZINC000924784424 738449118 /nfs/dbraw/zinc/44/91/18/738449118.db2.gz DMYNWWRVGBMMRC-MJGOQNOKSA-N 1 2 361.511 2.512 20 30 FFEDLO C=CCC[C@@H](O)C[NH+]1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000760809093 736670128 /nfs/dbraw/zinc/67/01/28/736670128.db2.gz YWBQNECXXYOIAC-SNVBAGLBSA-N 1 2 350.331 2.831 20 30 FFEDLO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1cccc(C#N)c1O ZINC000866345876 731050964 /nfs/dbraw/zinc/05/09/64/731050964.db2.gz GFFWJFNBIOSNJK-CYBMUJFWSA-N 1 2 365.499 2.507 20 30 FFEDLO C#CC[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000868950902 731347789 /nfs/dbraw/zinc/34/77/89/731347789.db2.gz FKGMRTZBHQYMLV-MRXNPFEDSA-N 1 2 358.511 2.580 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2sccc2CC#N)cc1 ZINC000869410013 731396773 /nfs/dbraw/zinc/39/67/73/731396773.db2.gz AYGPNQCFNKVUNR-MRXNPFEDSA-N 1 2 355.463 2.827 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2sccc2CC#N)cc1 ZINC000869410013 731396775 /nfs/dbraw/zinc/39/67/75/731396775.db2.gz AYGPNQCFNKVUNR-MRXNPFEDSA-N 1 2 355.463 2.827 20 30 FFEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC000877416622 732359117 /nfs/dbraw/zinc/35/91/17/732359117.db2.gz MESNYDRLZYVNSK-UHFFFAOYSA-N 1 2 356.861 2.914 20 30 FFEDLO C=CC[N@@H+](CCc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000878242656 732503150 /nfs/dbraw/zinc/50/31/50/732503150.db2.gz TVIGWHKAQQCGPA-AWEZNQCLSA-N 1 2 358.301 2.667 20 30 FFEDLO C=CC[N@H+](CCc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000878242656 732503154 /nfs/dbraw/zinc/50/31/54/732503154.db2.gz TVIGWHKAQQCGPA-AWEZNQCLSA-N 1 2 358.301 2.667 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c(OC(F)F)c1 ZINC000886799501 733838703 /nfs/dbraw/zinc/83/87/03/733838703.db2.gz RYQPUFQBHUEURU-CQSZACIVSA-N 1 2 350.287 2.906 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c(OC(F)F)c1 ZINC000886799501 733838706 /nfs/dbraw/zinc/83/87/06/733838706.db2.gz RYQPUFQBHUEURU-CQSZACIVSA-N 1 2 350.287 2.906 20 30 FFEDLO CC(C)(C)CCNC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782947611 738767028 /nfs/dbraw/zinc/76/70/28/738767028.db2.gz CREUKSGNENRJLY-UHFFFAOYSA-N 1 2 356.264 2.638 20 30 FFEDLO C[C@@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000729649309 734589555 /nfs/dbraw/zinc/58/95/55/734589555.db2.gz XCKOKCOAVHSZTN-VXGBXAGGSA-N 1 2 352.891 2.607 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(I)cc1C ZINC000730095942 734615054 /nfs/dbraw/zinc/61/50/54/734615054.db2.gz UORQRUCSGNOOHL-AWEZNQCLSA-N 1 2 368.218 2.636 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(I)cc1C ZINC000730095942 734615055 /nfs/dbraw/zinc/61/50/55/734615055.db2.gz UORQRUCSGNOOHL-AWEZNQCLSA-N 1 2 368.218 2.636 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH+]1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000733196095 734796477 /nfs/dbraw/zinc/79/64/77/734796477.db2.gz GFKIOPWNKDMCDG-HOTGVXAUSA-N 1 2 353.507 2.741 20 30 FFEDLO C#CC[C@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 ZINC000895491252 735015006 /nfs/dbraw/zinc/01/50/06/735015006.db2.gz ZORIXSAYONIYKJ-MRXNPFEDSA-N 1 2 357.479 2.918 20 30 FFEDLO COCCn1c(C)c(C)n(C[NH+]2CCC3(CC2)CC(=O)C=CO3)c1=S ZINC000902600687 735968057 /nfs/dbraw/zinc/96/80/57/735968057.db2.gz ZVUAFGPOBDYVLP-UHFFFAOYSA-N 1 2 365.499 2.578 20 30 FFEDLO N#CCOc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000753855852 736101744 /nfs/dbraw/zinc/10/17/44/736101744.db2.gz JICKAVUWCJVOQK-AEFFLSMTSA-N 1 2 358.463 2.975 20 30 FFEDLO N#CCOc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000753855852 736101745 /nfs/dbraw/zinc/10/17/45/736101745.db2.gz JICKAVUWCJVOQK-AEFFLSMTSA-N 1 2 358.463 2.975 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000904081112 736218330 /nfs/dbraw/zinc/21/83/30/736218330.db2.gz JZTZXJPQLAGGSK-LBPRGKRZSA-N 1 2 356.209 2.566 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CCSC[C@H]1CCO ZINC000759729657 736589135 /nfs/dbraw/zinc/58/91/35/736589135.db2.gz BUTJMMVZBNVFPJ-VUFYJBQKSA-N 1 2 360.523 2.667 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CCSC[C@H]1CCO ZINC000759729657 736589137 /nfs/dbraw/zinc/58/91/37/736589137.db2.gz BUTJMMVZBNVFPJ-VUFYJBQKSA-N 1 2 360.523 2.667 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2nccs2)n1 ZINC000766071354 737190493 /nfs/dbraw/zinc/19/04/93/737190493.db2.gz ZNYKPINPTMIVEC-UHFFFAOYSA-N 1 2 353.451 2.984 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2nccs2)n1 ZINC000766071354 737190498 /nfs/dbraw/zinc/19/04/98/737190498.db2.gz ZNYKPINPTMIVEC-UHFFFAOYSA-N 1 2 353.451 2.984 20 30 FFEDLO CSc1nc(C2CC2)cc(C(=O)NCC(C)(C)n2cc[nH+]c2)c1C#N ZINC000912616313 737324683 /nfs/dbraw/zinc/32/46/83/737324683.db2.gz AVCXLMFTIVGSSC-UHFFFAOYSA-N 1 2 355.467 2.914 20 30 FFEDLO C#C[C@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)[C@@H]1CCCO1 ZINC000775350746 738085956 /nfs/dbraw/zinc/08/59/56/738085956.db2.gz QMAJSCRMECWHGQ-HOCLYGCPSA-N 1 2 351.237 2.845 20 30 FFEDLO C#C[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[C@@H]1CCCO1 ZINC000775435929 738092609 /nfs/dbraw/zinc/09/26/09/738092609.db2.gz ZBGMYOLUUKJBSA-KBMXLJTQSA-N 1 2 362.499 2.677 20 30 FFEDLO C#C[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[C@@H]1CCCO1 ZINC000775435929 738092612 /nfs/dbraw/zinc/09/26/12/738092612.db2.gz ZBGMYOLUUKJBSA-KBMXLJTQSA-N 1 2 362.499 2.677 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(OC)c(Br)c(OC)c1 ZINC000775862261 738132445 /nfs/dbraw/zinc/13/24/45/738132445.db2.gz BNJJOBWDPUNXFK-LBPRGKRZSA-N 1 2 367.243 2.502 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(OC)c(Br)c(OC)c1 ZINC000775862261 738132449 /nfs/dbraw/zinc/13/24/49/738132449.db2.gz BNJJOBWDPUNXFK-LBPRGKRZSA-N 1 2 367.243 2.502 20 30 FFEDLO C[C@H]1CC[N@H+](Cc2ccccc2)CC1=NNS(=O)(=O)c1ccccc1 ZINC000776183025 738168927 /nfs/dbraw/zinc/16/89/27/738168927.db2.gz HAQPQAXTGUHYFE-INIZCTEOSA-N 1 2 357.479 2.863 20 30 FFEDLO C[C@H]1CC[N@@H+](Cc2ccccc2)CC1=NNS(=O)(=O)c1ccccc1 ZINC000776183025 738168929 /nfs/dbraw/zinc/16/89/29/738168929.db2.gz HAQPQAXTGUHYFE-INIZCTEOSA-N 1 2 357.479 2.863 20 30 FFEDLO C[NH+](C)Cc1csc(CNC(=O)Nc2ccc(F)cc2OCC#N)n1 ZINC000930385888 739098351 /nfs/dbraw/zinc/09/83/51/739098351.db2.gz JDBSQUCMEFIVSJ-UHFFFAOYSA-N 1 2 363.418 2.568 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931945813 739357453 /nfs/dbraw/zinc/35/74/53/739357453.db2.gz YLIFHDUSFQEALA-UKRRQHHQSA-N 1 2 360.483 2.832 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931945813 739357458 /nfs/dbraw/zinc/35/74/58/739357458.db2.gz YLIFHDUSFQEALA-UKRRQHHQSA-N 1 2 360.483 2.832 20 30 FFEDLO O=C1[C@@H]([NH+]2CCC3(CC2)CC(=O)C=CO3)CCN1c1ccc(Cl)cc1 ZINC000933652549 739667448 /nfs/dbraw/zinc/66/74/48/739667448.db2.gz YKWAXCYKBWUING-KRWDZBQOSA-N 1 2 360.841 2.783 20 30 FFEDLO Cc1csc(C2([NH2+]Cn3cc4c(c(C#N)c3=O)CCCC4)CCC2)n1 ZINC000793510380 739789817 /nfs/dbraw/zinc/78/98/17/739789817.db2.gz BBVNWSAJCBVWEV-UHFFFAOYSA-N 1 2 354.479 2.990 20 30 FFEDLO C[C@@](CO)([NH2+]Cc1nc(C#N)cs1)c1cccc(Br)c1 ZINC000934496623 739793508 /nfs/dbraw/zinc/79/35/08/739793508.db2.gz XMBBMZAYZSLPOE-AWEZNQCLSA-N 1 2 352.257 2.775 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)[C@H]2OCC[C@H]2C)C(C)(C)C1 ZINC000941040886 740194049 /nfs/dbraw/zinc/19/40/49/740194049.db2.gz AOKJJNZLJDPUGI-BNOWGMLFSA-N 1 2 359.308 2.537 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2OCC[C@H]2C)C(C)(C)C1 ZINC000941040886 740194051 /nfs/dbraw/zinc/19/40/51/740194051.db2.gz AOKJJNZLJDPUGI-BNOWGMLFSA-N 1 2 359.308 2.537 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2Cc2cccs2)CC1 ZINC000802696319 740718491 /nfs/dbraw/zinc/71/84/91/740718491.db2.gz KIUPPOMRXXLAAA-UHFFFAOYSA-N 1 2 355.511 2.801 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2csc(CC)n2)CC1(C)C ZINC000975055559 740919486 /nfs/dbraw/zinc/91/94/86/740919486.db2.gz LIFXTBPBDUTOFN-OWCLPIDISA-N 1 2 363.527 2.623 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2csc(CC)n2)CC1(C)C ZINC000975055559 740919490 /nfs/dbraw/zinc/91/94/90/740919490.db2.gz LIFXTBPBDUTOFN-OWCLPIDISA-N 1 2 363.527 2.623 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2nc(C)cs2)CC1(C)C ZINC000977327365 741074724 /nfs/dbraw/zinc/07/47/24/741074724.db2.gz OFXAZFDVGOPFKS-UXLLHSPISA-N 1 2 363.527 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)cs2)CC1(C)C ZINC000977327365 741074726 /nfs/dbraw/zinc/07/47/26/741074726.db2.gz OFXAZFDVGOPFKS-UXLLHSPISA-N 1 2 363.527 2.759 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3OCC[C@H]3CC)CCC[C@H]12 ZINC000991141150 741731320 /nfs/dbraw/zinc/73/13/20/741731320.db2.gz DKNJCHHHIQUHCO-AESZEHBQSA-N 1 2 371.319 2.823 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3OCC[C@H]3CC)CCC[C@H]12 ZINC000991141150 741731321 /nfs/dbraw/zinc/73/13/21/741731321.db2.gz DKNJCHHHIQUHCO-AESZEHBQSA-N 1 2 371.319 2.823 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2ccnc(Cl)c2)CC1 ZINC001001162855 742109588 /nfs/dbraw/zinc/10/95/88/742109588.db2.gz JYVMMEYKARXMMO-SJORKVTESA-N 1 2 361.873 2.574 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2ccnc(Cl)c2)CC1 ZINC001001162855 742109591 /nfs/dbraw/zinc/10/95/91/742109591.db2.gz JYVMMEYKARXMMO-SJORKVTESA-N 1 2 361.873 2.574 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001008839823 742409622 /nfs/dbraw/zinc/40/96/22/742409622.db2.gz LEQLAOPPVAGORK-RYRKJORJSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001008839823 742409624 /nfs/dbraw/zinc/40/96/24/742409624.db2.gz LEQLAOPPVAGORK-RYRKJORJSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2nc(C)c(C)s2)C1 ZINC001008842606 742409994 /nfs/dbraw/zinc/40/99/94/742409994.db2.gz YTPGELFZNZRDKO-RYRKJORJSA-N 1 2 363.527 2.822 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2nc(C)c(C)s2)C1 ZINC001008842606 742409995 /nfs/dbraw/zinc/40/99/95/742409995.db2.gz YTPGELFZNZRDKO-RYRKJORJSA-N 1 2 363.527 2.822 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2c(Cl)cccc2OC)C1 ZINC001015726715 742479728 /nfs/dbraw/zinc/47/97/28/742479728.db2.gz RPBFIZFNBNYOCZ-VBQJREDUSA-N 1 2 364.873 2.630 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2c(Cl)cccc2OC)C1 ZINC001015726715 742479731 /nfs/dbraw/zinc/47/97/31/742479731.db2.gz RPBFIZFNBNYOCZ-VBQJREDUSA-N 1 2 364.873 2.630 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2nccs2)C1 ZINC001027607816 742776488 /nfs/dbraw/zinc/77/64/88/742776488.db2.gz GWMLRCPFPVEWLH-RYRKJORJSA-N 1 2 363.527 2.937 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nccs2)C1 ZINC001027607816 742776490 /nfs/dbraw/zinc/77/64/90/742776490.db2.gz GWMLRCPFPVEWLH-RYRKJORJSA-N 1 2 363.527 2.937 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1c(F)cccc1F ZINC001028142419 742785883 /nfs/dbraw/zinc/78/58/83/742785883.db2.gz LUDIITZIJNZHGF-IYOUNJFTSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1F ZINC001028142419 742785891 /nfs/dbraw/zinc/78/58/91/742785891.db2.gz LUDIITZIJNZHGF-IYOUNJFTSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1scnc1C ZINC001032673534 742868083 /nfs/dbraw/zinc/86/80/83/742868083.db2.gz WSTSPDBBKNXJDF-OVWQWFNUSA-N 1 2 361.511 2.608 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1scnc1C ZINC001032673534 742868094 /nfs/dbraw/zinc/86/80/94/742868094.db2.gz WSTSPDBBKNXJDF-OVWQWFNUSA-N 1 2 361.511 2.608 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cnc(C)s1 ZINC001039922512 742995781 /nfs/dbraw/zinc/99/57/81/742995781.db2.gz BALBPGPYEVCLIX-ATLSCFEFSA-N 1 2 361.511 2.608 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cnc(C)s1 ZINC001039922512 742995787 /nfs/dbraw/zinc/99/57/87/742995787.db2.gz BALBPGPYEVCLIX-ATLSCFEFSA-N 1 2 361.511 2.608 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cscn1)C2 ZINC001040412697 743005366 /nfs/dbraw/zinc/00/53/66/743005366.db2.gz VJXFAMJHECNPBJ-ZIFCJYIRSA-N 1 2 361.511 2.549 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cscn1)C2 ZINC001040412697 743005375 /nfs/dbraw/zinc/00/53/75/743005375.db2.gz VJXFAMJHECNPBJ-ZIFCJYIRSA-N 1 2 361.511 2.549 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001046642015 743336178 /nfs/dbraw/zinc/33/61/78/743336178.db2.gz BAVDTAUZFRRNPF-IOASZLSFSA-N 1 2 353.260 2.872 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001046642015 743336185 /nfs/dbraw/zinc/33/61/85/743336185.db2.gz BAVDTAUZFRRNPF-IOASZLSFSA-N 1 2 353.260 2.872 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@@H](C)O1 ZINC001049732612 743482700 /nfs/dbraw/zinc/48/27/00/743482700.db2.gz OLYVIGAWJJIKFQ-CBBWQLFWSA-N 1 2 357.292 2.528 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@@H](C)O1 ZINC001049732612 743482702 /nfs/dbraw/zinc/48/27/02/743482702.db2.gz OLYVIGAWJJIKFQ-CBBWQLFWSA-N 1 2 357.292 2.528 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cscn1 ZINC001049777460 743486928 /nfs/dbraw/zinc/48/69/28/743486928.db2.gz ICDZYUUBSOSPHS-MLHJIOFPSA-N 1 2 361.511 2.690 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cscn1 ZINC001049777460 743486932 /nfs/dbraw/zinc/48/69/32/743486932.db2.gz ICDZYUUBSOSPHS-MLHJIOFPSA-N 1 2 361.511 2.690 20 30 FFEDLO CN(C)C(=O)O[C@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000830509270 745372867 /nfs/dbraw/zinc/37/28/67/745372867.db2.gz FYBYHUIMLPXULW-HNNXBMFYSA-N 1 2 356.344 2.709 20 30 FFEDLO CN(C)C(=O)O[C@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000830509270 745372872 /nfs/dbraw/zinc/37/28/72/745372872.db2.gz FYBYHUIMLPXULW-HNNXBMFYSA-N 1 2 356.344 2.709 20 30 FFEDLO C#C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000833230552 745779814 /nfs/dbraw/zinc/77/98/14/745779814.db2.gz GGJWWESESRDUJN-ZFWWWQNUSA-N 1 2 358.239 2.699 20 30 FFEDLO Cc1ccc(-n2c(Cl)c(C=[NH+]N3CCC[C@@H]3CO)nc2N(C)C)cc1 ZINC000841661704 747425518 /nfs/dbraw/zinc/42/55/18/747425518.db2.gz JGWQBBJIIVUYHE-OAHLLOKOSA-N 1 2 361.877 2.691 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](Cc2nc3ccc(Br)cc3s2)C1 ZINC000843425319 747834225 /nfs/dbraw/zinc/83/42/25/747834225.db2.gz KNTFZJAPEDKJNG-AWEZNQCLSA-N 1 2 352.257 2.909 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nc3ccc(Br)cc3s2)C1 ZINC000843425319 747834231 /nfs/dbraw/zinc/83/42/31/747834231.db2.gz KNTFZJAPEDKJNG-AWEZNQCLSA-N 1 2 352.257 2.909 20 30 FFEDLO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1 ZINC000847023825 748600370 /nfs/dbraw/zinc/60/03/70/748600370.db2.gz OVHHKFRRYQVHIL-HNNXBMFYSA-N 1 2 356.857 2.869 20 30 FFEDLO C#C[C@H]1CCC[N@H+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1 ZINC000847023825 748600376 /nfs/dbraw/zinc/60/03/76/748600376.db2.gz OVHHKFRRYQVHIL-HNNXBMFYSA-N 1 2 356.857 2.869 20 30 FFEDLO CC(C)(C)OC(=O)Nc1ncc(C=NNCCCn2cc[nH+]c2)s1 ZINC000848417151 748920622 /nfs/dbraw/zinc/92/06/22/748920622.db2.gz MPLHPNOCLFGNFX-UHFFFAOYSA-N 1 2 350.448 2.700 20 30 FFEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)C1CCOCC1 ZINC000852641730 749911209 /nfs/dbraw/zinc/91/12/09/749911209.db2.gz FHTRKSQTFDIECS-QAPCUYQASA-N 1 2 361.511 2.565 20 30 FFEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1nc2ccc(OCC)cc2s1 ZINC000852751651 749943040 /nfs/dbraw/zinc/94/30/40/749943040.db2.gz CKUPBLBODFFAKJ-UHFFFAOYSA-N 1 2 361.467 2.605 20 30 FFEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1nc2ccc(OCC)cc2s1 ZINC000852751651 749943046 /nfs/dbraw/zinc/94/30/46/749943046.db2.gz CKUPBLBODFFAKJ-UHFFFAOYSA-N 1 2 361.467 2.605 20 30 FFEDLO Cc1ccc2[nH]nc(C[N@@H+]3CCC[C@@]34CCN(CCCC#N)C4=O)c2c1 ZINC001275837852 1013061827 /nfs/dbraw/zinc/06/18/27/1013061827.db2.gz VBMZNZAAAMRODL-FQEVSTJZSA-N 1 2 351.454 2.742 20 30 FFEDLO Cc1ccc2[nH]nc(C[N@H+]3CCC[C@@]34CCN(CCCC#N)C4=O)c2c1 ZINC001275837852 1013061841 /nfs/dbraw/zinc/06/18/41/1013061841.db2.gz VBMZNZAAAMRODL-FQEVSTJZSA-N 1 2 351.454 2.742 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(O)ccc2Cl)c1 ZINC001095283686 1013088809 /nfs/dbraw/zinc/08/88/09/1013088809.db2.gz SXGOZEJRZQUKPS-SKDZVZGDSA-N 1 2 370.840 2.781 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(O)ccc2Cl)c1 ZINC001095283686 1013088826 /nfs/dbraw/zinc/08/88/26/1013088826.db2.gz SXGOZEJRZQUKPS-SKDZVZGDSA-N 1 2 370.840 2.781 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(F)(F)C(F)F)C1 ZINC001105090962 971499426 /nfs/dbraw/zinc/49/94/26/971499426.db2.gz OCPZSGDOMOYXQU-JHJVBQTASA-N 1 2 354.388 2.552 20 30 FFEDLO CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)Nc1cccc(F)c1C#N ZINC001105280692 971739720 /nfs/dbraw/zinc/73/97/20/971739720.db2.gz ZISXZDQYUKRGJD-LBTNJELSSA-N 1 2 369.444 2.787 20 30 FFEDLO C[C@H](ON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000194667507 971887424 /nfs/dbraw/zinc/88/74/24/971887424.db2.gz QUJGXKAYEDQLQJ-OXJNMPFZSA-N 1 2 364.449 2.809 20 30 FFEDLO C[C@H](ON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000194667507 971887432 /nfs/dbraw/zinc/88/74/32/971887432.db2.gz QUJGXKAYEDQLQJ-OXJNMPFZSA-N 1 2 364.449 2.809 20 30 FFEDLO CC[C@@H](CO)Nc1cc(N2CCC(c3ccc(C#N)cc3)CC2)nc[nH+]1 ZINC000896865287 971926687 /nfs/dbraw/zinc/92/66/87/971926687.db2.gz UJPUOGIFJYWTRM-SFHVURJKSA-N 1 2 351.454 2.915 20 30 FFEDLO CC[C@@H](CO)Nc1cc(N2CCC(c3ccc(C#N)cc3)CC2)[nH+]cn1 ZINC000896865287 971926692 /nfs/dbraw/zinc/92/66/92/971926692.db2.gz UJPUOGIFJYWTRM-SFHVURJKSA-N 1 2 351.454 2.915 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2cc(F)ccc2F)CC1(C)C ZINC000975066325 972337935 /nfs/dbraw/zinc/33/79/35/972337935.db2.gz RMFUGEHBZGNNET-NJAFHUGGSA-N 1 2 364.436 2.883 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2cc(F)ccc2F)CC1(C)C ZINC000975066325 972337939 /nfs/dbraw/zinc/33/79/39/972337939.db2.gz RMFUGEHBZGNNET-NJAFHUGGSA-N 1 2 364.436 2.883 20 30 FFEDLO C=C(C)CCC(=O)NCC1(O)C[NH+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001271297150 972442521 /nfs/dbraw/zinc/44/25/21/972442521.db2.gz BEZXDUWRMYYBIP-WMZOPIPTSA-N 1 2 364.436 2.555 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCO[C@H](C(F)F)CC2)cc1 ZINC000872269519 1013193638 /nfs/dbraw/zinc/19/36/38/1013193638.db2.gz SWCQBZANWLSAJV-RDJZCZTQSA-N 1 2 365.424 2.986 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCO[C@H](C(F)F)CC2)cc1 ZINC000872269519 1013193645 /nfs/dbraw/zinc/19/36/45/1013193645.db2.gz SWCQBZANWLSAJV-RDJZCZTQSA-N 1 2 365.424 2.986 20 30 FFEDLO C=CCN(CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C(=O)OCC ZINC001209018540 959911864 /nfs/dbraw/zinc/91/18/64/959911864.db2.gz FKYNJSWRVUPDFP-IYBDPMFKSA-N 1 2 367.490 2.715 20 30 FFEDLO C=CCN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C(=O)OCC ZINC001209018540 959911870 /nfs/dbraw/zinc/91/18/70/959911870.db2.gz FKYNJSWRVUPDFP-IYBDPMFKSA-N 1 2 367.490 2.715 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1Cc1ccc(Br)c(OC(F)(F)F)c1 ZINC001210121558 960702317 /nfs/dbraw/zinc/70/23/17/960702317.db2.gz MMEXMVSYMXHJIF-JTQLQIEISA-N 1 2 364.165 2.645 20 30 FFEDLO C[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000970460209 961378979 /nfs/dbraw/zinc/37/89/79/961378979.db2.gz SARLMACOQLRFJI-IVGZAAIESA-N 1 2 372.896 2.696 20 30 FFEDLO CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Br)ccc1C#N)CC2 ZINC001276121856 1013483651 /nfs/dbraw/zinc/48/36/51/1013483651.db2.gz VRGNITODMSYLHA-OAHLLOKOSA-N 1 2 362.271 2.669 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1coc(C)n1 ZINC000960911857 1013519762 /nfs/dbraw/zinc/51/97/62/1013519762.db2.gz MTBCTVOOPKXEMT-FHWLQOOXSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1coc(C)n1 ZINC000960911857 1013519767 /nfs/dbraw/zinc/51/97/67/1013519767.db2.gz MTBCTVOOPKXEMT-FHWLQOOXSA-N 1 2 361.486 2.777 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccccc1Cl)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000017741658 965172900 /nfs/dbraw/zinc/17/29/00/965172900.db2.gz CIUNOVJOJBPACL-OAHLLOKOSA-N 1 2 373.840 2.522 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccccc1Cl)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000017741658 965172906 /nfs/dbraw/zinc/17/29/06/965172906.db2.gz CIUNOVJOJBPACL-OAHLLOKOSA-N 1 2 373.840 2.522 20 30 FFEDLO N#Cc1cccc(C[N@H+]2C[C@H]3OCCN(C(=O)C4(F)CCCCC4)[C@H]3C2)c1 ZINC001083239616 966129379 /nfs/dbraw/zinc/12/93/79/966129379.db2.gz ODPXBMVDZDXGTM-RBUKOAKNSA-N 1 2 371.456 2.642 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C4(F)CCCCC4)[C@H]3C2)c1 ZINC001083239616 966129388 /nfs/dbraw/zinc/12/93/88/966129388.db2.gz ODPXBMVDZDXGTM-RBUKOAKNSA-N 1 2 371.456 2.642 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC45CCCC5)[C@H]3C2)s1 ZINC001083239742 966155472 /nfs/dbraw/zinc/15/54/72/966155472.db2.gz AMJLRNVZLQSOAD-OKZBNKHCSA-N 1 2 371.506 2.612 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC45CCCC5)[C@H]3C2)s1 ZINC001083239742 966155478 /nfs/dbraw/zinc/15/54/78/966155478.db2.gz AMJLRNVZLQSOAD-OKZBNKHCSA-N 1 2 371.506 2.612 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2snnc2C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001087498672 967087168 /nfs/dbraw/zinc/08/71/68/967087168.db2.gz CKCSRSLIMZEXKD-UONOGXRCSA-N 1 2 361.496 2.563 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2snnc2C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001087498672 967087182 /nfs/dbraw/zinc/08/71/82/967087182.db2.gz CKCSRSLIMZEXKD-UONOGXRCSA-N 1 2 361.496 2.563 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC000972520460 967565801 /nfs/dbraw/zinc/56/58/01/967565801.db2.gz BELBUZQDUSMXKH-BQFCYCMXSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncoc2C(C)C)C1 ZINC000972520460 967565804 /nfs/dbraw/zinc/56/58/04/967565804.db2.gz BELBUZQDUSMXKH-BQFCYCMXSA-N 1 2 361.486 2.812 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccccc2o1 ZINC001111482402 967809171 /nfs/dbraw/zinc/80/91/71/967809171.db2.gz INFSIHPVEOCSDG-OIISXLGYSA-N 1 2 355.438 2.642 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccccc2o1 ZINC001111482402 967809189 /nfs/dbraw/zinc/80/91/89/967809189.db2.gz INFSIHPVEOCSDG-OIISXLGYSA-N 1 2 355.438 2.642 20 30 FFEDLO CCc1nc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2CC)cs1 ZINC001087535299 967879123 /nfs/dbraw/zinc/87/91/23/967879123.db2.gz CBCZLIKVUPYISG-GOEBONIOSA-N 1 2 357.483 2.688 20 30 FFEDLO CCc1nc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2CC)cs1 ZINC001087535299 967879130 /nfs/dbraw/zinc/87/91/30/967879130.db2.gz CBCZLIKVUPYISG-GOEBONIOSA-N 1 2 357.483 2.688 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC001083262911 968069594 /nfs/dbraw/zinc/06/95/94/968069594.db2.gz UOSVOXJIUHDGBQ-FCHUYYIVSA-N 1 2 360.457 2.902 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC001083262911 968069603 /nfs/dbraw/zinc/06/96/03/968069603.db2.gz UOSVOXJIUHDGBQ-FCHUYYIVSA-N 1 2 360.457 2.902 20 30 FFEDLO O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCC(=O)c2cccn21 ZINC000329829857 968130132 /nfs/dbraw/zinc/13/01/32/968130132.db2.gz DWONBWNKAFLCCH-QGZVFWFLSA-N 1 2 359.470 2.997 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(F)cn2)[C@H]1CC ZINC001087626512 968410335 /nfs/dbraw/zinc/41/03/35/968410335.db2.gz DKIMABVPKRGFMR-LSDHHAIUSA-N 1 2 370.266 2.641 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(F)cn2)[C@H]1CC ZINC001087626512 968410340 /nfs/dbraw/zinc/41/03/40/968410340.db2.gz DKIMABVPKRGFMR-LSDHHAIUSA-N 1 2 370.266 2.641 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C4CC4)o3)[C@@H]2CC)c1 ZINC001087718910 968717266 /nfs/dbraw/zinc/71/72/66/968717266.db2.gz PWPYNKARSHQFLS-ZWKOTPCHSA-N 1 2 364.449 2.711 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)[C@@H]2CC)c1 ZINC001087718910 968717275 /nfs/dbraw/zinc/71/72/75/968717275.db2.gz PWPYNKARSHQFLS-ZWKOTPCHSA-N 1 2 364.449 2.711 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nn(C)c3c2CCCC3)[C@H]1CC ZINC001087735503 968792312 /nfs/dbraw/zinc/79/23/12/968792312.db2.gz OXRAAECCKQNECI-LSDHHAIUSA-N 1 2 350.894 2.634 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nn(C)c3c2CCCC3)[C@H]1CC ZINC001087735503 968792323 /nfs/dbraw/zinc/79/23/23/968792323.db2.gz OXRAAECCKQNECI-LSDHHAIUSA-N 1 2 350.894 2.634 20 30 FFEDLO C=CC(C)(C)CCCNC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000875025112 1013950675 /nfs/dbraw/zinc/95/06/75/1013950675.db2.gz HQTORCCYOBCYPP-UHFFFAOYSA-N 1 2 372.513 2.797 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000174123943 970381899 /nfs/dbraw/zinc/38/18/99/970381899.db2.gz WYOHGIFOPQSIEX-UHFFFAOYSA-N 1 2 363.377 2.648 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C(C)(C)C)[nH]4)CC[C@@H]3C2)C1 ZINC001088098442 972780833 /nfs/dbraw/zinc/78/08/33/972780833.db2.gz KBOBBZGIDXUIDI-CVEARBPZSA-N 1 2 371.529 2.739 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C(C)(C)C)[nH]4)CC[C@@H]3C2)C1 ZINC001088098442 972780839 /nfs/dbraw/zinc/78/08/39/972780839.db2.gz KBOBBZGIDXUIDI-CVEARBPZSA-N 1 2 371.529 2.739 20 30 FFEDLO CN(C(=O)OC(C)(C)C)c1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000840757259 972942034 /nfs/dbraw/zinc/94/20/34/972942034.db2.gz MVVYSHFNMPKLDV-MRXNPFEDSA-N 1 2 363.458 2.643 20 30 FFEDLO CN(C(=O)OC(C)(C)C)c1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000840757259 972942046 /nfs/dbraw/zinc/94/20/46/972942046.db2.gz MVVYSHFNMPKLDV-MRXNPFEDSA-N 1 2 363.458 2.643 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2nc(C)oc2C)C1 ZINC001027415428 974387881 /nfs/dbraw/zinc/38/78/81/974387881.db2.gz LDVXCCOKBCZTOO-SCTDSRPQSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2nc(C)oc2C)C1 ZINC001027415428 974387890 /nfs/dbraw/zinc/38/78/90/974387890.db2.gz LDVXCCOKBCZTOO-SCTDSRPQSA-N 1 2 361.486 2.695 20 30 FFEDLO Cc1ncsc1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001075578207 975323307 /nfs/dbraw/zinc/32/33/07/975323307.db2.gz NEJLEEIDZGEQMO-WMLDXEAASA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1ncsc1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001075578207 975323312 /nfs/dbraw/zinc/32/33/12/975323312.db2.gz NEJLEEIDZGEQMO-WMLDXEAASA-N 1 2 370.453 2.809 20 30 FFEDLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000796549390 1014269255 /nfs/dbraw/zinc/26/92/55/1014269255.db2.gz CYPDUKDJSULQES-MRXNPFEDSA-N 1 2 369.425 2.661 20 30 FFEDLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000796549390 1014269265 /nfs/dbraw/zinc/26/92/65/1014269265.db2.gz CYPDUKDJSULQES-MRXNPFEDSA-N 1 2 369.425 2.661 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2onc3c2CCCC3)CC[N@@H+]1Cc1ccccc1C#N ZINC001088746198 975707846 /nfs/dbraw/zinc/70/78/46/975707846.db2.gz QCMDQFSNCBKPIA-KDOFPFPSSA-N 1 2 364.449 2.818 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2onc3c2CCCC3)CC[N@H+]1Cc1ccccc1C#N ZINC001088746198 975707852 /nfs/dbraw/zinc/70/78/52/975707852.db2.gz QCMDQFSNCBKPIA-KDOFPFPSSA-N 1 2 364.449 2.818 20 30 FFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000663435306 975883664 /nfs/dbraw/zinc/88/36/64/975883664.db2.gz BCNYRCKZPJRKKN-HSALFYBXSA-N 1 2 355.482 2.780 20 30 FFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000663435306 975883672 /nfs/dbraw/zinc/88/36/72/975883672.db2.gz BCNYRCKZPJRKKN-HSALFYBXSA-N 1 2 355.482 2.780 20 30 FFEDLO CCN(CC)C(=O)COc1ccc(C(=O)/C=C\c2ccc(N)[nH+]c2)cc1 ZINC000899342241 977100535 /nfs/dbraw/zinc/10/05/35/977100535.db2.gz SMSVEEZMWGISHF-WZUFQYTHSA-N 1 2 353.422 2.807 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC001087443192 977563072 /nfs/dbraw/zinc/56/30/72/977563072.db2.gz ZLTVMAUDFPDVMF-QZTJIDSGSA-N 1 2 353.491 2.981 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC001087443192 977563078 /nfs/dbraw/zinc/56/30/78/977563078.db2.gz ZLTVMAUDFPDVMF-QZTJIDSGSA-N 1 2 353.491 2.981 20 30 FFEDLO Cc1ncc(CO)c(C=Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1O ZINC000729150796 978190659 /nfs/dbraw/zinc/19/06/59/978190659.db2.gz YNKAJLPLYLCMAC-HNNXBMFYSA-N 1 2 355.438 2.732 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C(F)(F)F)[C@@H]2C1 ZINC001076130232 979136119 /nfs/dbraw/zinc/13/61/19/979136119.db2.gz RZEGIKCIRBYPFB-OUAUKWLOSA-N 1 2 355.198 2.626 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C(F)(F)F)[C@@H]2C1 ZINC001076130232 979136121 /nfs/dbraw/zinc/13/61/21/979136121.db2.gz RZEGIKCIRBYPFB-OUAUKWLOSA-N 1 2 355.198 2.626 20 30 FFEDLO C[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21)C(F)(F)F ZINC001076130663 979136218 /nfs/dbraw/zinc/13/62/18/979136218.db2.gz WRPJRTQPZJKZNX-DETPVDSQSA-N 1 2 369.362 2.928 20 30 FFEDLO C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21)C(F)(F)F ZINC001076130663 979136220 /nfs/dbraw/zinc/13/62/20/979136220.db2.gz WRPJRTQPZJKZNX-DETPVDSQSA-N 1 2 369.362 2.928 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccco3)[C@@H]2C1 ZINC001076384300 979438694 /nfs/dbraw/zinc/43/86/94/979438694.db2.gz XLDWDEOYVFTHOO-HNAYVOBHSA-N 1 2 353.397 2.566 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccco3)[C@@H]2C1 ZINC001076384300 979438699 /nfs/dbraw/zinc/43/86/99/979438699.db2.gz XLDWDEOYVFTHOO-HNAYVOBHSA-N 1 2 353.397 2.566 20 30 FFEDLO C[C@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H]1C)n1cccn1 ZINC001088477371 979781298 /nfs/dbraw/zinc/78/12/98/979781298.db2.gz ZAKQUXRLXFVZHS-MDZRGWNJSA-N 1 2 370.884 2.728 20 30 FFEDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1C)n1cccn1 ZINC001088477371 979781303 /nfs/dbraw/zinc/78/13/03/979781303.db2.gz ZAKQUXRLXFVZHS-MDZRGWNJSA-N 1 2 370.884 2.728 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(F)nc2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088493802 980056591 /nfs/dbraw/zinc/05/65/91/980056591.db2.gz YZZNZQRRFDJUHB-PXAZEXFGSA-N 1 2 356.376 2.624 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(F)nc2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088493802 980056599 /nfs/dbraw/zinc/05/65/99/980056599.db2.gz YZZNZQRRFDJUHB-PXAZEXFGSA-N 1 2 356.376 2.624 20 30 FFEDLO Cc1cccnc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088513857 980388905 /nfs/dbraw/zinc/38/89/05/980388905.db2.gz NCBRNSJACDMFTN-KDOFPFPSSA-N 1 2 352.413 2.794 20 30 FFEDLO Cc1cccnc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088513857 980388907 /nfs/dbraw/zinc/38/89/07/980388907.db2.gz NCBRNSJACDMFTN-KDOFPFPSSA-N 1 2 352.413 2.794 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2COc3cc(F)ccc3C2)[C@H]1C ZINC001088565063 981128274 /nfs/dbraw/zinc/12/82/74/981128274.db2.gz BLHOLIZHRISIPM-INWMFGNUSA-N 1 2 352.837 2.708 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COc3cc(F)ccc3C2)[C@H]1C ZINC001088565063 981128279 /nfs/dbraw/zinc/12/82/79/981128279.db2.gz BLHOLIZHRISIPM-INWMFGNUSA-N 1 2 352.837 2.708 20 30 FFEDLO COCCN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cn1 ZINC000897595984 982371900 /nfs/dbraw/zinc/37/19/00/982371900.db2.gz KSRXQJCUNLARHM-HXUWFJFHSA-N 1 2 366.465 2.609 20 30 FFEDLO COCCN(C)c1ccc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cn1 ZINC000897595984 982371906 /nfs/dbraw/zinc/37/19/06/982371906.db2.gz KSRXQJCUNLARHM-HXUWFJFHSA-N 1 2 366.465 2.609 20 30 FFEDLO C#CCOc1ccccc1CNc1ccc(N2CCC(CO)CC2)c[nH+]1 ZINC000150930239 984103623 /nfs/dbraw/zinc/10/36/23/984103623.db2.gz CKGQVWKRECVLIS-UHFFFAOYSA-N 1 2 351.450 2.914 20 30 FFEDLO CCOC(=O)C[N@H+](CCc1ccccc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000156353616 984325133 /nfs/dbraw/zinc/32/51/33/984325133.db2.gz NLNMPFKYFXUITO-HXUWFJFHSA-N 1 2 352.434 2.699 20 30 FFEDLO CCOC(=O)C[N@@H+](CCc1ccccc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000156353616 984325144 /nfs/dbraw/zinc/32/51/44/984325144.db2.gz NLNMPFKYFXUITO-HXUWFJFHSA-N 1 2 352.434 2.699 20 30 FFEDLO C#CCCCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nncs1)CC2 ZINC001107500790 984607426 /nfs/dbraw/zinc/60/74/26/984607426.db2.gz SKKLEURATQCZQJ-VQIMIIECSA-N 1 2 360.527 2.983 20 30 FFEDLO C#CCCCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nncs1)CC2 ZINC001107500790 984607429 /nfs/dbraw/zinc/60/74/29/984607429.db2.gz SKKLEURATQCZQJ-VQIMIIECSA-N 1 2 360.527 2.983 20 30 FFEDLO Nc1ncccc1C=[NH+]Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000764689685 984631813 /nfs/dbraw/zinc/63/18/13/984631813.db2.gz GPCSJQZRRBBPNV-UHFFFAOYSA-N 1 2 367.434 2.911 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cc(O)ccc3Cl)[C@@H]2C)c1 ZINC001088847089 984980143 /nfs/dbraw/zinc/98/01/43/984980143.db2.gz WNPVVNGYKCEEPV-YJYMSZOUSA-N 1 2 369.852 2.815 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(O)ccc3Cl)[C@@H]2C)c1 ZINC001088847089 984980149 /nfs/dbraw/zinc/98/01/49/984980149.db2.gz WNPVVNGYKCEEPV-YJYMSZOUSA-N 1 2 369.852 2.815 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ocnc2C(F)F)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088863039 985104186 /nfs/dbraw/zinc/10/41/86/985104186.db2.gz HNIOATSRIDCCLB-SKDRFNHKSA-N 1 2 366.393 2.938 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ocnc2C(F)F)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088863039 985104191 /nfs/dbraw/zinc/10/41/91/985104191.db2.gz HNIOATSRIDCCLB-SKDRFNHKSA-N 1 2 366.393 2.938 20 30 FFEDLO CN(C(=O)OC(C)(C)C)C1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000170959945 985186958 /nfs/dbraw/zinc/18/69/58/985186958.db2.gz HJUAVWIZUCYFQD-UHFFFAOYSA-N 1 2 372.469 2.828 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CCCCC)C2)c1 ZINC001206018512 1032110275 /nfs/dbraw/zinc/11/02/75/1032110275.db2.gz PNXDVDKKENSSQS-VQIMIIECSA-N 1 2 355.482 2.623 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)CCCCC)C2)c1 ZINC001206018512 1032110279 /nfs/dbraw/zinc/11/02/79/1032110279.db2.gz PNXDVDKKENSSQS-VQIMIIECSA-N 1 2 355.482 2.623 20 30 FFEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168421191 985510280 /nfs/dbraw/zinc/51/02/80/985510280.db2.gz PGXKXAVHUXACHN-VQTJNVASSA-N 1 2 352.409 2.929 20 30 FFEDLO C[C@@H]1C[N@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)[C@@H]1c1ccccc1 ZINC000173458460 985831065 /nfs/dbraw/zinc/83/10/65/985831065.db2.gz CAYKCYNGPKCPAC-QOEFQVSFSA-N 1 2 374.444 2.976 20 30 FFEDLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)[C@@H]1c1ccccc1 ZINC000173458460 985831077 /nfs/dbraw/zinc/83/10/77/985831077.db2.gz CAYKCYNGPKCPAC-QOEFQVSFSA-N 1 2 374.444 2.976 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CC(=C)Br)[C@@H]1C ZINC001089006660 985920272 /nfs/dbraw/zinc/92/02/72/985920272.db2.gz RCPORCYQRRUFMF-PBHICJAKSA-N 1 2 361.283 2.698 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](CC(=C)Br)[C@@H]1C ZINC001089006660 985920282 /nfs/dbraw/zinc/92/02/82/985920282.db2.gz RCPORCYQRRUFMF-PBHICJAKSA-N 1 2 361.283 2.698 20 30 FFEDLO C=CCn1c(CCc2ccccc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000669803763 986376321 /nfs/dbraw/zinc/37/63/21/986376321.db2.gz ZACGHRIIIJHZAJ-UHFFFAOYSA-N 1 2 374.492 2.971 20 30 FFEDLO C[NH+](C)Cc1csc(CNc2nc(Br)ccc2C#N)n1 ZINC001120963816 986388844 /nfs/dbraw/zinc/38/88/44/986388844.db2.gz SGWSXYUCQALASB-UHFFFAOYSA-N 1 2 352.261 2.846 20 30 FFEDLO Cc1oc(C(C)C)cc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077917932 986724668 /nfs/dbraw/zinc/72/46/68/986724668.db2.gz UGJZDYSMFYVEAG-RTBURBONSA-N 1 2 367.449 2.558 20 30 FFEDLO Cc1oc(C(C)C)cc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077917932 986724679 /nfs/dbraw/zinc/72/46/79/986724679.db2.gz UGJZDYSMFYVEAG-RTBURBONSA-N 1 2 367.449 2.558 20 30 FFEDLO CC[NH+](CC)[C@H](C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000732347041 988662182 /nfs/dbraw/zinc/66/21/82/988662182.db2.gz ALCXTJANVZYBTF-ICSRJNTNSA-N 1 2 359.470 2.667 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC001033086455 988758912 /nfs/dbraw/zinc/75/89/12/988758912.db2.gz INAZZKGMYXAOMO-NUJGCVRESA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001033086455 988758918 /nfs/dbraw/zinc/75/89/18/988758918.db2.gz INAZZKGMYXAOMO-NUJGCVRESA-N 1 2 364.436 2.979 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCOCC12CCCC2 ZINC000762927895 988765514 /nfs/dbraw/zinc/76/55/14/988765514.db2.gz YEABOLLWGHYMAO-INIZCTEOSA-N 1 2 362.433 2.869 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCOCC12CCCC2 ZINC000762927895 988765519 /nfs/dbraw/zinc/76/55/19/988765519.db2.gz YEABOLLWGHYMAO-INIZCTEOSA-N 1 2 362.433 2.869 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008010034 1015459298 /nfs/dbraw/zinc/45/92/98/1015459298.db2.gz QBKJWASKPWXTPS-SCTDSRPQSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008010034 1015459304 /nfs/dbraw/zinc/45/93/04/1015459304.db2.gz QBKJWASKPWXTPS-SCTDSRPQSA-N 1 2 359.445 2.593 20 30 FFEDLO CCn1c(=O)c2ccccc2nc1N=NC1CCN(c2cccc[nH+]2)CC1 ZINC000915954057 989713669 /nfs/dbraw/zinc/71/36/69/989713669.db2.gz JWRDIZCYMOAQTO-UHFFFAOYSA-N 1 2 362.437 2.880 20 30 FFEDLO C[C@@H](CCCCNc1ccc(C#N)nc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001090153818 989815784 /nfs/dbraw/zinc/81/57/84/989815784.db2.gz PQNMHJDSMFHIKY-BMGDILEWSA-N 1 2 366.469 2.577 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001061763024 990139549 /nfs/dbraw/zinc/13/95/49/990139549.db2.gz GFGBZWFXLPTFDV-NXHRZFHOSA-N 1 2 370.497 2.586 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001108158895 990256913 /nfs/dbraw/zinc/25/69/13/990256913.db2.gz NDKYSYCPGQXLNT-LBTNJELSSA-N 1 2 366.914 2.735 20 30 FFEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001108158895 990256917 /nfs/dbraw/zinc/25/69/17/990256917.db2.gz NDKYSYCPGQXLNT-LBTNJELSSA-N 1 2 366.914 2.735 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2cc(C)on2)cc1 ZINC001034818824 990281137 /nfs/dbraw/zinc/28/11/37/990281137.db2.gz QAEDUBIONCYFRU-UXHICEINSA-N 1 2 369.465 2.870 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC001034826379 990291356 /nfs/dbraw/zinc/29/13/56/990291356.db2.gz MIMIGZGCWBVOML-PMACEKPBSA-N 1 2 369.465 2.952 20 30 FFEDLO Cc1nn2c(nc3ccccc3c2=O)c1=C[NH2+]Nc1cccc([N+](=O)[O-])c1 ZINC000918708052 990477005 /nfs/dbraw/zinc/47/70/05/990477005.db2.gz VAIRPJGIZFUNAN-UHFFFAOYSA-N 1 2 362.349 2.838 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1n1ccnn1 ZINC001129238937 990619444 /nfs/dbraw/zinc/61/94/44/990619444.db2.gz LZQCRCTXOXNJMI-WSTZPKSXSA-N 1 2 371.460 2.561 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1n1ccnn1 ZINC001129238937 990619449 /nfs/dbraw/zinc/61/94/49/990619449.db2.gz LZQCRCTXOXNJMI-WSTZPKSXSA-N 1 2 371.460 2.561 20 30 FFEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCCC[C@H]1c1c[nH+]cn1C ZINC000919975680 990770509 /nfs/dbraw/zinc/77/05/09/990770509.db2.gz ZZSUQOTXOBHGNU-SFHVURJKSA-N 1 2 372.494 2.966 20 30 FFEDLO O=C(C#Cc1ccc(F)cc1F)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001273155989 990802813 /nfs/dbraw/zinc/80/28/13/990802813.db2.gz YKRHYKOLTFDOQO-UHFFFAOYSA-N 1 2 372.337 2.946 20 30 FFEDLO O=C(C#Cc1ccc(F)cc1F)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001273155989 990802816 /nfs/dbraw/zinc/80/28/16/990802816.db2.gz YKRHYKOLTFDOQO-UHFFFAOYSA-N 1 2 372.337 2.946 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@@H]1n1ccnn1 ZINC001129284238 991295507 /nfs/dbraw/zinc/29/55/07/991295507.db2.gz LJPPGLLFAOZTES-MSOLQXFVSA-N 1 2 371.460 2.561 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@@H]1n1ccnn1 ZINC001129284238 991295512 /nfs/dbraw/zinc/29/55/12/991295512.db2.gz LJPPGLLFAOZTES-MSOLQXFVSA-N 1 2 371.460 2.561 20 30 FFEDLO CCC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001212324674 991681752 /nfs/dbraw/zinc/68/17/52/991681752.db2.gz ADCBSJNRPKLLJL-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001212324674 991681754 /nfs/dbraw/zinc/68/17/54/991681754.db2.gz ADCBSJNRPKLLJL-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001031855427 991864716 /nfs/dbraw/zinc/86/47/16/991864716.db2.gz GFUUUQOMKKJMRY-YSIASYRMSA-N 1 2 372.896 2.555 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2nsc3ccccc23)C1 ZINC001008575355 1015666188 /nfs/dbraw/zinc/66/61/88/1015666188.db2.gz QHHHKTAXPSXIKJ-LESCRADOSA-N 1 2 371.506 2.968 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2nsc3ccccc23)C1 ZINC001008575355 1015666191 /nfs/dbraw/zinc/66/61/91/1015666191.db2.gz QHHHKTAXPSXIKJ-LESCRADOSA-N 1 2 371.506 2.968 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001212346841 991885026 /nfs/dbraw/zinc/88/50/26/991885026.db2.gz CQWUAZMHZUTHNY-RTBURBONSA-N 1 2 360.885 2.863 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001212346841 991885036 /nfs/dbraw/zinc/88/50/36/991885036.db2.gz CQWUAZMHZUTHNY-RTBURBONSA-N 1 2 360.885 2.863 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@@H]1CCCOC1 ZINC001079481830 992123888 /nfs/dbraw/zinc/12/38/88/992123888.db2.gz XFAWPDRWYPQJKE-SZVBFZGTSA-N 1 2 360.885 2.555 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@@H]1CCCOC1 ZINC001079481830 992123894 /nfs/dbraw/zinc/12/38/94/992123894.db2.gz XFAWPDRWYPQJKE-SZVBFZGTSA-N 1 2 360.885 2.555 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)ns1 ZINC001079628742 992273979 /nfs/dbraw/zinc/27/39/79/992273979.db2.gz QFNWNJHWATUBAB-PIGZYNQJSA-N 1 2 358.442 2.713 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)ns1 ZINC001079628742 992273987 /nfs/dbraw/zinc/27/39/87/992273987.db2.gz QFNWNJHWATUBAB-PIGZYNQJSA-N 1 2 358.442 2.713 20 30 FFEDLO Cc1cc(F)ccc1CON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000182918282 992311085 /nfs/dbraw/zinc/31/10/85/992311085.db2.gz MGZOBNHMPWICBT-UHFFFAOYSA-N 1 2 357.429 2.803 20 30 FFEDLO CCc1cccc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)n1 ZINC001079864125 992507152 /nfs/dbraw/zinc/50/71/52/992507152.db2.gz QNGYIJBVOBKMIU-JLTOFOAXSA-N 1 2 366.440 2.905 20 30 FFEDLO CCc1cccc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)n1 ZINC001079864125 992507164 /nfs/dbraw/zinc/50/71/64/992507164.db2.gz QNGYIJBVOBKMIU-JLTOFOAXSA-N 1 2 366.440 2.905 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000879965822 1015720869 /nfs/dbraw/zinc/72/08/69/1015720869.db2.gz AXAAEMJRLQUBDQ-INIZCTEOSA-N 1 2 365.518 2.742 20 30 FFEDLO CCc1n[nH]cc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001080023192 992657642 /nfs/dbraw/zinc/65/76/42/992657642.db2.gz FDCDVSBGNOWPCQ-AUUYWEPGSA-N 1 2 370.884 2.727 20 30 FFEDLO CCc1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001080023192 992657645 /nfs/dbraw/zinc/65/76/45/992657645.db2.gz FDCDVSBGNOWPCQ-AUUYWEPGSA-N 1 2 370.884 2.727 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001008846463 1015729351 /nfs/dbraw/zinc/72/93/51/1015729351.db2.gz MOVCRTPKNJLKRP-UFYCRDLUSA-N 1 2 353.466 2.620 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001008846463 1015729358 /nfs/dbraw/zinc/72/93/58/1015729358.db2.gz MOVCRTPKNJLKRP-UFYCRDLUSA-N 1 2 353.466 2.620 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001080170395 992817490 /nfs/dbraw/zinc/81/74/90/992817490.db2.gz XJFVMKYFIZYPAK-QOJCHSLYSA-N 1 2 374.912 2.943 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001080170395 992817496 /nfs/dbraw/zinc/81/74/96/992817496.db2.gz XJFVMKYFIZYPAK-QOJCHSLYSA-N 1 2 374.912 2.943 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cc2ccccc2nn1 ZINC001080235900 992856632 /nfs/dbraw/zinc/85/66/32/992856632.db2.gz UUVPATBHYKRFAD-QVKFZJNVSA-N 1 2 371.444 2.752 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cc2ccccc2nn1 ZINC001080235900 992856638 /nfs/dbraw/zinc/85/66/38/992856638.db2.gz UUVPATBHYKRFAD-QVKFZJNVSA-N 1 2 371.444 2.752 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)CC[C@H](C(F)(F)F)O1 ZINC000880055661 1015744323 /nfs/dbraw/zinc/74/43/23/1015744323.db2.gz CRQVPSPTCTVYBF-GDBMZVCRSA-N 1 2 369.387 2.975 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC[C@H](C(F)(F)F)O1 ZINC000880055661 1015744328 /nfs/dbraw/zinc/74/43/28/1015744328.db2.gz CRQVPSPTCTVYBF-GDBMZVCRSA-N 1 2 369.387 2.975 20 30 FFEDLO Cc1cnoc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC001080709731 993300371 /nfs/dbraw/zinc/30/03/71/993300371.db2.gz UMIRBRDWFFOKFU-RHSMWYFYSA-N 1 2 357.841 2.738 20 30 FFEDLO Cc1cnoc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC001080709731 993300378 /nfs/dbraw/zinc/30/03/78/993300378.db2.gz UMIRBRDWFFOKFU-RHSMWYFYSA-N 1 2 357.841 2.738 20 30 FFEDLO Cc1conc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC001080731368 993313325 /nfs/dbraw/zinc/31/33/25/993313325.db2.gz OEDIFQCICYOZDB-CXAGYDPISA-N 1 2 357.841 2.738 20 30 FFEDLO Cc1conc1C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC001080731368 993313327 /nfs/dbraw/zinc/31/33/27/993313327.db2.gz OEDIFQCICYOZDB-CXAGYDPISA-N 1 2 357.841 2.738 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001080851658 993414643 /nfs/dbraw/zinc/41/46/43/993414643.db2.gz UDQZITKYWYUZLH-VQIMIIECSA-N 1 2 365.477 2.959 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001080851658 993414647 /nfs/dbraw/zinc/41/46/47/993414647.db2.gz UDQZITKYWYUZLH-VQIMIIECSA-N 1 2 365.477 2.959 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC1=CCCCC1 ZINC001081443601 993848586 /nfs/dbraw/zinc/84/85/86/993848586.db2.gz JVTDDVRDHHZCNF-WOJBJXKFSA-N 1 2 353.466 2.764 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC1=CCCCC1 ZINC001081443601 993848593 /nfs/dbraw/zinc/84/85/93/993848593.db2.gz JVTDDVRDHHZCNF-WOJBJXKFSA-N 1 2 353.466 2.764 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@]1(C)CC=CCC1 ZINC001081730095 993940445 /nfs/dbraw/zinc/94/04/45/993940445.db2.gz GDKKRMDECSHQFM-ZHALLVOQSA-N 1 2 359.495 2.682 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@]1(C)CC=CCC1 ZINC001081730095 993940454 /nfs/dbraw/zinc/94/04/54/993940454.db2.gz GDKKRMDECSHQFM-ZHALLVOQSA-N 1 2 359.495 2.682 20 30 FFEDLO COc1cc2c(cc1OC)C(C)(C)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC2 ZINC000880390868 1015824328 /nfs/dbraw/zinc/82/43/28/1015824328.db2.gz XBUZHRGFHPGKRI-NRFANRHFSA-N 1 2 371.481 2.605 20 30 FFEDLO COc1cc2c(cc1OC)C(C)(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC2 ZINC000880390868 1015824331 /nfs/dbraw/zinc/82/43/31/1015824331.db2.gz XBUZHRGFHPGKRI-NRFANRHFSA-N 1 2 371.481 2.605 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@@H]1C=CCCC1 ZINC001081847203 994018591 /nfs/dbraw/zinc/01/85/91/994018591.db2.gz XTGJGRPXZRSDGE-NJDAHSKKSA-N 1 2 352.478 2.600 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@@H]1C=CCCC1 ZINC001081847203 994018597 /nfs/dbraw/zinc/01/85/97/994018597.db2.gz XTGJGRPXZRSDGE-NJDAHSKKSA-N 1 2 352.478 2.600 20 30 FFEDLO CCc1ccsc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001082383469 994498327 /nfs/dbraw/zinc/49/83/27/994498327.db2.gz YXDIWXTXPSAZFB-QZTJIDSGSA-N 1 2 369.490 2.811 20 30 FFEDLO CCc1ccsc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001082383469 994498402 /nfs/dbraw/zinc/49/84/02/994498402.db2.gz YXDIWXTXPSAZFB-QZTJIDSGSA-N 1 2 369.490 2.811 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCO[C@H]1c1ccccc1)CO2 ZINC001053832624 1015886756 /nfs/dbraw/zinc/88/67/56/1015886756.db2.gz MGVFDVUVWUUTKQ-AQNXPRMDSA-N 1 2 370.493 2.690 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1)CO2 ZINC001053951185 1015913433 /nfs/dbraw/zinc/91/34/33/1015913433.db2.gz RTEXMRBWXJCONQ-HSALFYBXSA-N 1 2 354.494 2.943 20 30 FFEDLO C#C[C@](C)(CC)Nc1[nH+]cnc2c1ccn2S(=O)(=O)c1ccccc1 ZINC001158738187 995186890 /nfs/dbraw/zinc/18/68/90/995186890.db2.gz MKNKLGCAIVQOSZ-GOSISDBHSA-N 1 2 354.435 2.882 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2noc(-c3ccccc3)n2)C1 ZINC001082683380 995273578 /nfs/dbraw/zinc/27/35/78/995273578.db2.gz FXGHTAXWUIJFFD-GDBMZVCRSA-N 1 2 354.454 2.885 20 30 FFEDLO Cc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@H]32)s1 ZINC001082982081 995950309 /nfs/dbraw/zinc/95/03/09/995950309.db2.gz GQNQVLYVJXOAEH-ZWKOTPCHSA-N 1 2 367.474 2.654 20 30 FFEDLO Cc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@@H]32)s1 ZINC001082982081 995950315 /nfs/dbraw/zinc/95/03/15/995950315.db2.gz GQNQVLYVJXOAEH-ZWKOTPCHSA-N 1 2 367.474 2.654 20 30 FFEDLO N#Cc1cccc(C[N@H+]2C[C@H]3OCCN(C(=O)c4ccc(Cl)o4)[C@H]3C2)c1 ZINC001083001391 995997501 /nfs/dbraw/zinc/99/75/01/995997501.db2.gz JOSNXAYTADQPMT-DOTOQJQBSA-N 1 2 371.824 2.530 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3OCCN(C(=O)c4ccc(Cl)o4)[C@H]3C2)c1 ZINC001083001391 995997503 /nfs/dbraw/zinc/99/75/03/995997503.db2.gz JOSNXAYTADQPMT-DOTOQJQBSA-N 1 2 371.824 2.530 20 30 FFEDLO N#Cc1cccc(C[N@H+]2C[C@H]3OCCN(C(=O)C(F)=C4CCCC4)[C@H]3C2)c1 ZINC001083049097 996047116 /nfs/dbraw/zinc/04/71/16/996047116.db2.gz AJFFIQXDWQGIOK-RBUKOAKNSA-N 1 2 369.440 2.767 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C(F)=C4CCCC4)[C@H]3C2)c1 ZINC001083049097 996047122 /nfs/dbraw/zinc/04/71/22/996047122.db2.gz AJFFIQXDWQGIOK-RBUKOAKNSA-N 1 2 369.440 2.767 20 30 FFEDLO O=C(C[C@@H]1CC=CCC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083164591 996123640 /nfs/dbraw/zinc/12/36/40/996123640.db2.gz UDGGAJCXUFNZCB-BHIFYINESA-N 1 2 364.489 2.696 20 30 FFEDLO O=C(C[C@@H]1CC=CCC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083164591 996123641 /nfs/dbraw/zinc/12/36/41/996123641.db2.gz UDGGAJCXUFNZCB-BHIFYINESA-N 1 2 364.489 2.696 20 30 FFEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@@H+]([C@@H](C)c4cnc(C)cn4)C[C@@H]32)CC1 ZINC001083183967 996173626 /nfs/dbraw/zinc/17/36/26/996173626.db2.gz HTGWTYLKYRECKN-FFZOFVMBSA-N 1 2 370.497 2.504 20 30 FFEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@H+]([C@@H](C)c4cnc(C)cn4)C[C@@H]32)CC1 ZINC001083183967 996173628 /nfs/dbraw/zinc/17/36/28/996173628.db2.gz HTGWTYLKYRECKN-FFZOFVMBSA-N 1 2 370.497 2.504 20 30 FFEDLO CN(C)c1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001096539962 1016018655 /nfs/dbraw/zinc/01/86/55/1016018655.db2.gz DRLVWTADVFLNQE-GIVPXCGWSA-N 1 2 374.488 2.534 20 30 FFEDLO CN(C)c1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001096539962 1016018662 /nfs/dbraw/zinc/01/86/62/1016018662.db2.gz DRLVWTADVFLNQE-GIVPXCGWSA-N 1 2 374.488 2.534 20 30 FFEDLO CC[C@@H](OC)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084226350 996375001 /nfs/dbraw/zinc/37/50/01/996375001.db2.gz OWGMMUILMDTHBA-BHIYHBOVSA-N 1 2 360.885 2.649 20 30 FFEDLO CC[C@@H](OC)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084226350 996375006 /nfs/dbraw/zinc/37/50/06/996375006.db2.gz OWGMMUILMDTHBA-BHIYHBOVSA-N 1 2 360.885 2.649 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cscn4)[C@@H]3C2)ccc1F ZINC001084227671 996376300 /nfs/dbraw/zinc/37/63/00/996376300.db2.gz IFIDMQZHVDQQQZ-CXAGYDPISA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cscn4)[C@@H]3C2)ccc1F ZINC001084227671 996376305 /nfs/dbraw/zinc/37/63/05/996376305.db2.gz IFIDMQZHVDQQQZ-CXAGYDPISA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccc(F)cn4)[C@@H]3C2)c(F)c1 ZINC001084295963 996401768 /nfs/dbraw/zinc/40/17/68/996401768.db2.gz SYWJELJGMANVPZ-DNVCBOLYSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(F)cn4)[C@@H]3C2)c(F)c1 ZINC001084295963 996401774 /nfs/dbraw/zinc/40/17/74/996401774.db2.gz SYWJELJGMANVPZ-DNVCBOLYSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)cc4F)C[C@H]32)c1 ZINC001084261358 996406310 /nfs/dbraw/zinc/40/63/10/996406310.db2.gz GTKCZHCAEOUQEG-RDTXWAMCSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)cc4F)C[C@H]32)c1 ZINC001084261358 996406314 /nfs/dbraw/zinc/40/63/14/996406314.db2.gz GTKCZHCAEOUQEG-RDTXWAMCSA-N 1 2 356.376 2.511 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)cc3NC(C)=O)[C@@H]2C1 ZINC001084388108 996528954 /nfs/dbraw/zinc/52/89/54/996528954.db2.gz GQYKQNQYQRUYOY-CXAGYDPISA-N 1 2 365.836 2.683 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)cc3NC(C)=O)[C@@H]2C1 ZINC001084388108 996528958 /nfs/dbraw/zinc/52/89/58/996528958.db2.gz GQYKQNQYQRUYOY-CXAGYDPISA-N 1 2 365.836 2.683 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ncc(C)s3)C[C@H]21 ZINC001084408332 996552166 /nfs/dbraw/zinc/55/21/66/996552166.db2.gz DFLSRIOZHGLQNC-NVXWUHKLSA-N 1 2 356.495 2.786 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ncc(C)s3)C[C@H]21 ZINC001084408332 996552170 /nfs/dbraw/zinc/55/21/70/996552170.db2.gz DFLSRIOZHGLQNC-NVXWUHKLSA-N 1 2 356.495 2.786 20 30 FFEDLO Cc1cc(C)c(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)[nH]1 ZINC001084457358 996568731 /nfs/dbraw/zinc/56/87/31/996568731.db2.gz NBQXDTTZAAEZRP-VQIMIIECSA-N 1 2 366.440 2.989 20 30 FFEDLO Cc1cc(C)c(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)[nH]1 ZINC001084457358 996568738 /nfs/dbraw/zinc/56/87/38/996568738.db2.gz NBQXDTTZAAEZRP-VQIMIIECSA-N 1 2 366.440 2.989 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]nc3-c3ccccc3)[C@@H]2C1 ZINC001084555471 996674832 /nfs/dbraw/zinc/67/48/32/996674832.db2.gz IAUZMYSHDZAJOZ-NVXWUHKLSA-N 1 2 356.857 2.976 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]nc3-c3ccccc3)[C@@H]2C1 ZINC001084555471 996674836 /nfs/dbraw/zinc/67/48/36/996674836.db2.gz IAUZMYSHDZAJOZ-NVXWUHKLSA-N 1 2 356.857 2.976 20 30 FFEDLO CCc1nocc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084640941 996753215 /nfs/dbraw/zinc/75/32/15/996753215.db2.gz SFOMDRLHHCFCBE-DNVCBOLYSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1nocc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084640941 996753220 /nfs/dbraw/zinc/75/32/20/996753220.db2.gz SFOMDRLHHCFCBE-DNVCBOLYSA-N 1 2 368.412 2.594 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c(C)nn(C)c1C)C2 ZINC001111432876 1016068372 /nfs/dbraw/zinc/06/83/72/1016068372.db2.gz GWEWPKBOIGNVJV-PTFKWJCZSA-N 1 2 364.921 2.690 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c(C)nn(C)c1C)C2 ZINC001111432876 1016068381 /nfs/dbraw/zinc/06/83/81/1016068381.db2.gz GWEWPKBOIGNVJV-PTFKWJCZSA-N 1 2 364.921 2.690 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3-n3cccn3)[C@@H]2C1 ZINC001084684942 996889487 /nfs/dbraw/zinc/88/94/87/996889487.db2.gz GNDRURNONIIHDC-CRAIPNDOSA-N 1 2 356.857 2.771 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3-n3cccn3)[C@@H]2C1 ZINC001084684942 996889496 /nfs/dbraw/zinc/88/94/96/996889496.db2.gz GNDRURNONIIHDC-CRAIPNDOSA-N 1 2 356.857 2.771 20 30 FFEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000730146163 996892965 /nfs/dbraw/zinc/89/29/65/996892965.db2.gz IYTYSZDAODHCBX-UHFFFAOYSA-N 1 2 368.462 2.743 20 30 FFEDLO CCc1oncc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084694105 996909030 /nfs/dbraw/zinc/90/90/30/996909030.db2.gz MQQIUESBZXHFPE-RDTXWAMCSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1oncc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084694105 996909038 /nfs/dbraw/zinc/90/90/38/996909038.db2.gz MQQIUESBZXHFPE-RDTXWAMCSA-N 1 2 368.412 2.594 20 30 FFEDLO C=CCOCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679498694 1016081306 /nfs/dbraw/zinc/08/13/06/1016081306.db2.gz RXIADQNMBFOHOB-JKSUJKDBSA-N 1 2 355.841 2.726 20 30 FFEDLO C=CCOCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679498694 1016081318 /nfs/dbraw/zinc/08/13/18/1016081318.db2.gz RXIADQNMBFOHOB-JKSUJKDBSA-N 1 2 355.841 2.726 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3c(C)nn(CCC)c3C)[C@@H]2C1 ZINC001084762508 997242502 /nfs/dbraw/zinc/24/25/02/997242502.db2.gz BMJGAJATOUHGKX-HZPDHXFCSA-N 1 2 350.894 2.809 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(C)nn(CCC)c3C)[C@@H]2C1 ZINC001084762508 997242514 /nfs/dbraw/zinc/24/25/14/997242514.db2.gz BMJGAJATOUHGKX-HZPDHXFCSA-N 1 2 350.894 2.809 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)C[C@H]1NC(=O)CSCC#N ZINC001206090460 1032139693 /nfs/dbraw/zinc/13/96/93/1032139693.db2.gz WJXILMODWSFLOO-IAQYHMDHSA-N 1 2 355.866 2.672 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Cl)C[C@H]1NC(=O)CSCC#N ZINC001206090460 1032139698 /nfs/dbraw/zinc/13/96/98/1032139698.db2.gz WJXILMODWSFLOO-IAQYHMDHSA-N 1 2 355.866 2.672 20 30 FFEDLO N#Cc1oc2ccccc2c1NC(=O)[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001143659562 997493204 /nfs/dbraw/zinc/49/32/04/997493204.db2.gz YFKGWHPFNOMUFI-UZLBHIALSA-N 1 2 361.401 2.878 20 30 FFEDLO N#Cc1oc2ccccc2c1NC(=O)[C@@H]1[C@H](O)CC[N@H+]1Cc1ccccc1 ZINC001143659562 997493211 /nfs/dbraw/zinc/49/32/11/997493211.db2.gz YFKGWHPFNOMUFI-UZLBHIALSA-N 1 2 361.401 2.878 20 30 FFEDLO CCc1noc(C)c1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084826608 997566078 /nfs/dbraw/zinc/56/60/78/997566078.db2.gz LKYAOIAOULJTDH-IEBWSBKVSA-N 1 2 364.449 2.764 20 30 FFEDLO CCc1noc(C)c1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084826608 997566086 /nfs/dbraw/zinc/56/60/86/997566086.db2.gz LKYAOIAOULJTDH-IEBWSBKVSA-N 1 2 364.449 2.764 20 30 FFEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC2(C[C@@H]2C(=O)N2CCOCC2)CC1 ZINC001143724028 997602171 /nfs/dbraw/zinc/60/21/71/997602171.db2.gz UKJRGCOPTUHJBU-QGZVFWFLSA-N 1 2 373.884 2.673 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CC2)c([N+](=O)[O-])c1 ZINC000844333147 997790077 /nfs/dbraw/zinc/79/00/77/997790077.db2.gz ZOGLPAIGAOLOBJ-INIZCTEOSA-N 1 2 358.398 2.710 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2COC(=O)NC2CC2)c([N+](=O)[O-])c1 ZINC000844333147 997790079 /nfs/dbraw/zinc/79/00/79/997790079.db2.gz ZOGLPAIGAOLOBJ-INIZCTEOSA-N 1 2 358.398 2.710 20 30 FFEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)ccc1OC ZINC000844385531 997848410 /nfs/dbraw/zinc/84/84/10/997848410.db2.gz NEADMMVCNHPDGZ-ZBFHGGJFSA-N 1 2 356.426 2.840 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2(CCC2)CO1 ZINC000844422518 997877789 /nfs/dbraw/zinc/87/77/89/997877789.db2.gz NNMPUXTYPIGJQR-ZBFHGGJFSA-N 1 2 362.433 2.867 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2(CCC2)CO1 ZINC000844422518 997877797 /nfs/dbraw/zinc/87/77/97/997877797.db2.gz NNMPUXTYPIGJQR-ZBFHGGJFSA-N 1 2 362.433 2.867 20 30 FFEDLO CCc1cc(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccccc4C#N)[C@H]3C2)n[nH]1 ZINC001084893134 997916071 /nfs/dbraw/zinc/91/60/71/997916071.db2.gz LAHRIBQUVNJBLD-QRWLVFNGSA-N 1 2 363.465 2.580 20 30 FFEDLO CCc1cc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccccc4C#N)[C@H]3C2)n[nH]1 ZINC001084893134 997916079 /nfs/dbraw/zinc/91/60/79/997916079.db2.gz LAHRIBQUVNJBLD-QRWLVFNGSA-N 1 2 363.465 2.580 20 30 FFEDLO Cc1ncoc1C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001084913587 998062033 /nfs/dbraw/zinc/06/20/33/998062033.db2.gz TXUJZRUAELBQSI-KDOFPFPSSA-N 1 2 368.412 2.730 20 30 FFEDLO Cc1ncoc1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001084913587 998062039 /nfs/dbraw/zinc/06/20/39/998062039.db2.gz TXUJZRUAELBQSI-KDOFPFPSSA-N 1 2 368.412 2.730 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCO[C@@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@@H]21 ZINC001091055846 998377887 /nfs/dbraw/zinc/37/78/87/998377887.db2.gz AEBXNBJWAFLTAN-RYQLBKOJSA-N 1 2 370.497 2.681 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccon4)[C@H]3C2)cc1 ZINC001084973907 998461824 /nfs/dbraw/zinc/46/18/24/998461824.db2.gz LGUMRQPZGVQOOA-UZLBHIALSA-N 1 2 367.449 2.976 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccon4)[C@H]3C2)cc1 ZINC001084973907 998461830 /nfs/dbraw/zinc/46/18/30/998461830.db2.gz LGUMRQPZGVQOOA-UZLBHIALSA-N 1 2 367.449 2.976 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C)[C@H]2C1 ZINC001085004909 998651360 /nfs/dbraw/zinc/65/13/60/998651360.db2.gz UETDPLYTPHYMEQ-WBVHZDCISA-N 1 2 371.529 2.718 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CC4)n3C)[C@H]2C1 ZINC001085004909 998651365 /nfs/dbraw/zinc/65/13/65/998651365.db2.gz UETDPLYTPHYMEQ-WBVHZDCISA-N 1 2 371.529 2.718 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3CC)[C@H]2C1 ZINC001085024007 998701484 /nfs/dbraw/zinc/70/14/84/998701484.db2.gz NENGZXJWWCWONB-FUHIMQAGSA-N 1 2 359.518 2.632 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3CC)[C@H]2C1 ZINC001085024007 998701487 /nfs/dbraw/zinc/70/14/87/998701487.db2.gz NENGZXJWWCWONB-FUHIMQAGSA-N 1 2 359.518 2.632 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C/C(Cl)=C\Cl)[C@H]3C2)cn1 ZINC001085078150 998862888 /nfs/dbraw/zinc/86/28/88/998862888.db2.gz DWSDBPUMNLBXML-RDZUSDMXSA-N 1 2 364.276 2.918 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C/C(Cl)=C\Cl)[C@H]3C2)cn1 ZINC001085078150 998862893 /nfs/dbraw/zinc/86/28/93/998862893.db2.gz DWSDBPUMNLBXML-RDZUSDMXSA-N 1 2 364.276 2.918 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#Cc2ccc(Cl)cc2)O1 ZINC001085826065 999642512 /nfs/dbraw/zinc/64/25/12/999642512.db2.gz DAQOOEJMHFMEMI-AYOQOUSVSA-N 1 2 360.885 2.792 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CC#Cc2ccc(Cl)cc2)O1 ZINC001085826065 999642514 /nfs/dbraw/zinc/64/25/14/999642514.db2.gz DAQOOEJMHFMEMI-AYOQOUSVSA-N 1 2 360.885 2.792 20 30 FFEDLO N#Cc1ccccc1COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741345878 999722968 /nfs/dbraw/zinc/72/29/68/999722968.db2.gz HKTXKKCMBXAASA-FQEVSTJZSA-N 1 2 350.418 2.893 20 30 FFEDLO N#Cc1ccccc1COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741345878 999722969 /nfs/dbraw/zinc/72/29/69/999722969.db2.gz HKTXKKCMBXAASA-FQEVSTJZSA-N 1 2 350.418 2.893 20 30 FFEDLO C[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000741796945 999743356 /nfs/dbraw/zinc/74/33/56/999743356.db2.gz GOUBPDGVMISXMX-KBXCAEBGSA-N 1 2 372.428 2.958 20 30 FFEDLO C[C@H]1Cc2ccccc2C[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000741796945 999743357 /nfs/dbraw/zinc/74/33/57/999743357.db2.gz GOUBPDGVMISXMX-KBXCAEBGSA-N 1 2 372.428 2.958 20 30 FFEDLO C(=[NH+]Nc1cnnc2ccccc21)c1c(N2CCOCC2)nc2ccccn21 ZINC000741810579 999743897 /nfs/dbraw/zinc/74/38/97/999743897.db2.gz VNIICWQGBOLBMS-UHFFFAOYSA-N 1 2 373.420 2.560 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@@H+](C)Cc2nc3ccsc3c(=O)[nH]2)cc1 ZINC001169154565 1000028414 /nfs/dbraw/zinc/02/84/14/1000028414.db2.gz YDOUSBMHHSYSOG-UHFFFAOYSA-N 1 2 366.446 2.839 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@H+](C)Cc2nc3ccsc3c(=O)[nH]2)cc1 ZINC001169154565 1000028417 /nfs/dbraw/zinc/02/84/17/1000028417.db2.gz YDOUSBMHHSYSOG-UHFFFAOYSA-N 1 2 366.446 2.839 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nnc1-c1ccccc1)C2 ZINC001096620845 1016377448 /nfs/dbraw/zinc/37/74/48/1016377448.db2.gz NIENKOWOAHULBM-ILXRZTDVSA-N 1 2 357.845 2.559 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nnc1-c1ccccc1)C2 ZINC001096620845 1016377455 /nfs/dbraw/zinc/37/74/55/1016377455.db2.gz NIENKOWOAHULBM-ILXRZTDVSA-N 1 2 357.845 2.559 20 30 FFEDLO N#Cc1c2c(cn(C[NH+]3CCC(COc4ccccc4)CC3)c1=O)CCC2 ZINC000766638837 1000034458 /nfs/dbraw/zinc/03/44/58/1000034458.db2.gz ZSJFTZVQXXOMTJ-UHFFFAOYSA-N 1 2 363.461 2.957 20 30 FFEDLO N#CC1(CCCC[NH+]2CC(S(=O)(=O)N3CCc4ccccc43)C2)CCC1 ZINC001169451378 1000048784 /nfs/dbraw/zinc/04/87/84/1000048784.db2.gz IYBHFACRMVZBJG-UHFFFAOYSA-N 1 2 373.522 2.927 20 30 FFEDLO N#Cc1ccc(F)c(CS(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000766777659 1000067059 /nfs/dbraw/zinc/06/70/59/1000067059.db2.gz RGEHFKNSKYRQBH-UHFFFAOYSA-N 1 2 370.409 2.503 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N(C)C(C)=O)cc1)C2 ZINC001096635983 1016384169 /nfs/dbraw/zinc/38/41/69/1016384169.db2.gz AZANJQSWQNTGEQ-SQNIBIBYSA-N 1 2 361.873 2.757 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N(C)C(C)=O)cc1)C2 ZINC001096635983 1016384181 /nfs/dbraw/zinc/38/41/81/1016384181.db2.gz AZANJQSWQNTGEQ-SQNIBIBYSA-N 1 2 361.873 2.757 20 30 FFEDLO CC(C)OCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001108962752 1000139523 /nfs/dbraw/zinc/13/95/23/1000139523.db2.gz TTYBMWJVIYDAGV-NEWSRXKRSA-N 1 2 359.445 2.734 20 30 FFEDLO CC(C)OCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001108962752 1000139524 /nfs/dbraw/zinc/13/95/24/1000139524.db2.gz TTYBMWJVIYDAGV-NEWSRXKRSA-N 1 2 359.445 2.734 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(CC)c1ccccc1 ZINC001109043101 1000154762 /nfs/dbraw/zinc/15/47/62/1000154762.db2.gz KZTOFSZHDGMKBS-QYZOEREBSA-N 1 2 355.482 2.727 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(CC)c1ccccc1 ZINC001109043101 1000154764 /nfs/dbraw/zinc/15/47/64/1000154764.db2.gz KZTOFSZHDGMKBS-QYZOEREBSA-N 1 2 355.482 2.727 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(CC)cc1 ZINC001109046246 1000155394 /nfs/dbraw/zinc/15/53/94/1000155394.db2.gz HGSDSXHDBVXXRH-QYZOEREBSA-N 1 2 355.482 2.875 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(CC)cc1 ZINC001109046246 1000155396 /nfs/dbraw/zinc/15/53/96/1000155396.db2.gz HGSDSXHDBVXXRH-QYZOEREBSA-N 1 2 355.482 2.875 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC1CCCCC1 ZINC001109046327 1000155479 /nfs/dbraw/zinc/15/54/79/1000155479.db2.gz OKMVMJNYSWOHGD-QYZOEREBSA-N 1 2 361.530 2.761 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC1CCCCC1 ZINC001109046327 1000155481 /nfs/dbraw/zinc/15/54/81/1000155481.db2.gz OKMVMJNYSWOHGD-QYZOEREBSA-N 1 2 361.530 2.761 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109037900 1000157201 /nfs/dbraw/zinc/15/72/01/1000157201.db2.gz GTWAPUIIQODLMB-JBCDFXQESA-N 1 2 371.456 2.900 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109037900 1000157203 /nfs/dbraw/zinc/15/72/03/1000157203.db2.gz GTWAPUIIQODLMB-JBCDFXQESA-N 1 2 371.456 2.900 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109038169 1000157458 /nfs/dbraw/zinc/15/74/58/1000157458.db2.gz MOSKTKWBLDEUSN-XCLNPWKQSA-N 1 2 353.466 2.761 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109038169 1000157459 /nfs/dbraw/zinc/15/74/59/1000157459.db2.gz MOSKTKWBLDEUSN-XCLNPWKQSA-N 1 2 353.466 2.761 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(Cl)c1 ZINC001109038593 1000157671 /nfs/dbraw/zinc/15/76/71/1000157671.db2.gz ULJJEUFOPDPWTP-ORQFMDKSSA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(Cl)c1 ZINC001109038593 1000157672 /nfs/dbraw/zinc/15/76/72/1000157672.db2.gz ULJJEUFOPDPWTP-ORQFMDKSSA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1c2ccccc2C[C@@H]1C ZINC001109058768 1000160845 /nfs/dbraw/zinc/16/08/45/1000160845.db2.gz KIAOKMJCBFJRMB-NFBUACBFSA-N 1 2 367.493 2.652 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1c2ccccc2C[C@@H]1C ZINC001109058768 1000160846 /nfs/dbraw/zinc/16/08/46/1000160846.db2.gz KIAOKMJCBFJRMB-NFBUACBFSA-N 1 2 367.493 2.652 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(Cl)cc1 ZINC001109059015 1000161065 /nfs/dbraw/zinc/16/10/65/1000161065.db2.gz SOAMAALCEVBIRI-IKGGRYGDSA-N 1 2 361.873 2.966 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(Cl)cc1 ZINC001109059015 1000161066 /nfs/dbraw/zinc/16/10/66/1000161066.db2.gz SOAMAALCEVBIRI-IKGGRYGDSA-N 1 2 361.873 2.966 20 30 FFEDLO CC[C@]1(C)CC(=O)N(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1=O ZINC000767972356 1000164773 /nfs/dbraw/zinc/16/47/73/1000164773.db2.gz JZXBOAMFALXFTP-HXUWFJFHSA-N 1 2 355.438 2.534 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCCCC1 ZINC001109171076 1000179163 /nfs/dbraw/zinc/17/91/63/1000179163.db2.gz CPSVRYGXEODRMR-AABGKKOBSA-N 1 2 373.541 2.598 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCCCC1 ZINC001109171076 1000179164 /nfs/dbraw/zinc/17/91/64/1000179164.db2.gz CPSVRYGXEODRMR-AABGKKOBSA-N 1 2 373.541 2.598 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(C(F)(F)F)nc1 ZINC001109210023 1000187416 /nfs/dbraw/zinc/18/74/16/1000187416.db2.gz ZDWMUAVSFUQTAD-ILXRZTDVSA-N 1 2 366.387 2.520 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(C(F)(F)F)nc1 ZINC001109210023 1000187417 /nfs/dbraw/zinc/18/74/17/1000187417.db2.gz ZDWMUAVSFUQTAD-ILXRZTDVSA-N 1 2 366.387 2.520 20 30 FFEDLO CCN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)C)C2)C1CCCCC1 ZINC001109249557 1000195593 /nfs/dbraw/zinc/19/55/93/1000195593.db2.gz DIRSTWSBSWPBAL-AABGKKOBSA-N 1 2 373.541 2.549 20 30 FFEDLO CCN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)C)C2)C1CCCCC1 ZINC001109249557 1000195596 /nfs/dbraw/zinc/19/55/96/1000195596.db2.gz DIRSTWSBSWPBAL-AABGKKOBSA-N 1 2 373.541 2.549 20 30 FFEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2c(COc3ccccn3)nnc2C1 ZINC001171216816 1000229115 /nfs/dbraw/zinc/22/91/15/1000229115.db2.gz MAMWTHSPFUHEOE-MRXNPFEDSA-N 1 2 374.448 2.571 20 30 FFEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCn2c(COc3ccccn3)nnc2C1 ZINC001171216816 1000229119 /nfs/dbraw/zinc/22/91/19/1000229119.db2.gz MAMWTHSPFUHEOE-MRXNPFEDSA-N 1 2 374.448 2.571 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC(=C)C)C3)c1 ZINC001109351232 1000296903 /nfs/dbraw/zinc/29/69/03/1000296903.db2.gz UXCANPBZIRXUKY-AABGKKOBSA-N 1 2 365.477 2.684 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC(=C)C)C3)c1 ZINC001109351232 1000296906 /nfs/dbraw/zinc/29/69/06/1000296906.db2.gz UXCANPBZIRXUKY-AABGKKOBSA-N 1 2 365.477 2.684 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)CCC ZINC001109344898 1000304066 /nfs/dbraw/zinc/30/40/66/1000304066.db2.gz JRLWKWVPIZZVOP-UKMLZYKCSA-N 1 2 369.937 2.791 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)CCC ZINC001109344898 1000304074 /nfs/dbraw/zinc/30/40/74/1000304074.db2.gz JRLWKWVPIZZVOP-UKMLZYKCSA-N 1 2 369.937 2.791 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)c2ncc(C)o2)CCOCC1 ZINC001109390914 1000379611 /nfs/dbraw/zinc/37/96/11/1000379611.db2.gz KTNZKJQXAPRRDP-BDXSIMOUSA-N 1 2 371.481 2.586 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)c2ncc(C)o2)CCOCC1 ZINC001109390914 1000379617 /nfs/dbraw/zinc/37/96/17/1000379617.db2.gz KTNZKJQXAPRRDP-BDXSIMOUSA-N 1 2 371.481 2.586 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)nn1 ZINC000846834703 1000436068 /nfs/dbraw/zinc/43/60/68/1000436068.db2.gz DHDWSURVHCWCQS-DOTOQJQBSA-N 1 2 363.506 2.979 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)nn1 ZINC000846834703 1000436076 /nfs/dbraw/zinc/43/60/76/1000436076.db2.gz DHDWSURVHCWCQS-DOTOQJQBSA-N 1 2 363.506 2.979 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)nn1 ZINC000846856698 1000460402 /nfs/dbraw/zinc/46/04/02/1000460402.db2.gz RDQLTNZXFOTTTM-LJQANCHMSA-N 1 2 361.490 2.687 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)nn1 ZINC000846856698 1000460407 /nfs/dbraw/zinc/46/04/07/1000460407.db2.gz RDQLTNZXFOTTTM-LJQANCHMSA-N 1 2 361.490 2.687 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)c1c(C)n[nH]c1C)C2 ZINC001109462241 1000507179 /nfs/dbraw/zinc/50/71/79/1000507179.db2.gz HAELLFQSTHCZOM-XGVBPZLHSA-N 1 2 350.894 2.994 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)c1c(C)n[nH]c1C)C2 ZINC001109462241 1000507183 /nfs/dbraw/zinc/50/71/83/1000507183.db2.gz HAELLFQSTHCZOM-XGVBPZLHSA-N 1 2 350.894 2.994 20 30 FFEDLO N#CCCCn1cc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c2ccccc21 ZINC000769548076 1000546945 /nfs/dbraw/zinc/54/69/45/1000546945.db2.gz YWGVJJGMFAPCJV-CALCHBBNSA-N 1 2 367.449 2.965 20 30 FFEDLO N#CCCCn1cc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c2ccccc21 ZINC000769548076 1000546953 /nfs/dbraw/zinc/54/69/53/1000546953.db2.gz YWGVJJGMFAPCJV-CALCHBBNSA-N 1 2 367.449 2.965 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2(C)CC2)C3)c1 ZINC001109539898 1000621450 /nfs/dbraw/zinc/62/14/50/1000621450.db2.gz YEEMAGPJDQRUQN-QYZOEREBSA-N 1 2 365.477 2.518 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2(C)CC2)C3)c1 ZINC001109539898 1000621455 /nfs/dbraw/zinc/62/14/55/1000621455.db2.gz YEEMAGPJDQRUQN-QYZOEREBSA-N 1 2 365.477 2.518 20 30 FFEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001146220307 1000640745 /nfs/dbraw/zinc/64/07/45/1000640745.db2.gz CSPJFTUMZMIILA-WOJBJXKFSA-N 1 2 374.444 2.995 20 30 FFEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc2n(n1)CCC2 ZINC001109604420 1000714444 /nfs/dbraw/zinc/71/44/44/1000714444.db2.gz IMJHCCYAEPGKHI-HOJAQTOUSA-N 1 2 354.498 2.635 20 30 FFEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc2n(n1)CCC2 ZINC001109604420 1000714451 /nfs/dbraw/zinc/71/44/51/1000714451.db2.gz IMJHCCYAEPGKHI-HOJAQTOUSA-N 1 2 354.498 2.635 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CCCCC2)C1 ZINC001109696737 1000855239 /nfs/dbraw/zinc/85/52/39/1000855239.db2.gz KOEDPRIZSKLSJQ-QYZOEREBSA-N 1 2 373.541 2.761 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CCCCC2)C1 ZINC001109696737 1000855244 /nfs/dbraw/zinc/85/52/44/1000855244.db2.gz KOEDPRIZSKLSJQ-QYZOEREBSA-N 1 2 373.541 2.761 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2CC[C@@H](Nc3[nH+]cnc4c3cnn4C)C2)CCC1 ZINC001091638448 1000913560 /nfs/dbraw/zinc/91/35/60/1000913560.db2.gz YDRLJTMIWAJZBH-LSDHHAIUSA-N 1 2 368.485 2.807 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(C)nc1Cl)C2 ZINC001276172860 1016455778 /nfs/dbraw/zinc/45/57/78/1016455778.db2.gz PMCKEQYPIKTUSM-IBGZPJMESA-N 1 2 363.889 2.670 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(C)nc1Cl)C2 ZINC001276172860 1016455785 /nfs/dbraw/zinc/45/57/85/1016455785.db2.gz PMCKEQYPIKTUSM-IBGZPJMESA-N 1 2 363.889 2.670 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)[C@H](OCC)C1 ZINC001091667144 1000989263 /nfs/dbraw/zinc/98/92/63/1000989263.db2.gz IMJSVHCFWXKXII-QZTJIDSGSA-N 1 2 370.497 2.741 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3cnc(CC(C)C)[nH]3)C[C@]2(C)C1 ZINC001091668950 1000994053 /nfs/dbraw/zinc/99/40/53/1000994053.db2.gz WUTVCPWGWUZGEF-KDOFPFPSSA-N 1 2 350.894 2.755 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)c3cnc(CC(C)C)[nH]3)C[C@]2(C)C1 ZINC001091668950 1000994059 /nfs/dbraw/zinc/99/40/59/1000994059.db2.gz WUTVCPWGWUZGEF-KDOFPFPSSA-N 1 2 350.894 2.755 20 30 FFEDLO C[C@]12CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[N@H+](CCC(F)(F)F)C2 ZINC001091691276 1001062533 /nfs/dbraw/zinc/06/25/33/1001062533.db2.gz QIABMGMYPFRRCK-YWVKMMECSA-N 1 2 350.278 2.620 20 30 FFEDLO C[C@]12CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[N@@H+](CCC(F)(F)F)C2 ZINC001091691276 1001062541 /nfs/dbraw/zinc/06/25/41/1001062541.db2.gz QIABMGMYPFRRCK-YWVKMMECSA-N 1 2 350.278 2.620 20 30 FFEDLO C[C@]12CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C[N@H+](CCC(F)(F)F)C2 ZINC001091691276 1001062547 /nfs/dbraw/zinc/06/25/47/1001062547.db2.gz QIABMGMYPFRRCK-YWVKMMECSA-N 1 2 350.278 2.620 20 30 FFEDLO C[C@]12CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C[N@@H+](CCC(F)(F)F)C2 ZINC001091691276 1001062552 /nfs/dbraw/zinc/06/25/52/1001062552.db2.gz QIABMGMYPFRRCK-YWVKMMECSA-N 1 2 350.278 2.620 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C)s3)C[C@@]2(C)C1 ZINC001091702458 1001094462 /nfs/dbraw/zinc/09/44/62/1001094462.db2.gz ZUSKMTBLVMGITM-DYVFJYSZSA-N 1 2 368.934 2.906 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C)s3)C[C@@]2(C)C1 ZINC001091702458 1001094467 /nfs/dbraw/zinc/09/44/67/1001094467.db2.gz ZUSKMTBLVMGITM-DYVFJYSZSA-N 1 2 368.934 2.906 20 30 FFEDLO C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1CCCNc1ccc(C#N)cn1 ZINC001091704475 1001107173 /nfs/dbraw/zinc/10/71/73/1001107173.db2.gz BCKUDAKYXIXLSW-SJLPKXTDSA-N 1 2 366.469 2.669 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C(F)F)C2 ZINC001110046026 1001368518 /nfs/dbraw/zinc/36/85/18/1001368518.db2.gz LJNGJXFRHRZDLH-XBFCOCLRSA-N 1 2 354.422 2.671 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C(F)F)C2 ZINC001110046026 1001368523 /nfs/dbraw/zinc/36/85/23/1001368523.db2.gz LJNGJXFRHRZDLH-XBFCOCLRSA-N 1 2 354.422 2.671 20 30 FFEDLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CNc1cccc(F)c1C#N ZINC001054705328 1016507653 /nfs/dbraw/zinc/50/76/53/1016507653.db2.gz IOKDVSRDVFIGBH-HUUCEWRRSA-N 1 2 369.444 2.570 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(c2ncnc3c2C[N@H+](C)CC3)[C@@H]1CC ZINC001091805217 1001864022 /nfs/dbraw/zinc/86/40/22/1001864022.db2.gz RJDXWJCVPUIVJX-ZWKOTPCHSA-N 1 2 371.529 2.540 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(c2ncnc3c2C[N@@H+](C)CC3)[C@@H]1CC ZINC001091805217 1001864035 /nfs/dbraw/zinc/86/40/35/1001864035.db2.gz RJDXWJCVPUIVJX-ZWKOTPCHSA-N 1 2 371.529 2.540 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@@H+](Cc4nc(C(C)C)no4)C[C@@]3(C)C2)C1 ZINC001091995680 1002201551 /nfs/dbraw/zinc/20/15/51/1002201551.db2.gz JIVBKZNMENHUKQ-QRWLVFNGSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](Cc4nc(C(C)C)no4)C[C@@]3(C)C2)C1 ZINC001091995680 1002201555 /nfs/dbraw/zinc/20/15/55/1002201555.db2.gz JIVBKZNMENHUKQ-QRWLVFNGSA-N 1 2 358.486 2.830 20 30 FFEDLO Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)cn1 ZINC001096812762 1016583629 /nfs/dbraw/zinc/58/36/29/1016583629.db2.gz KYIGVXASPTXTFY-RLLQIKCJSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)cn1 ZINC001096812762 1016583644 /nfs/dbraw/zinc/58/36/44/1016583644.db2.gz KYIGVXASPTXTFY-RLLQIKCJSA-N 1 2 364.424 2.936 20 30 FFEDLO Cn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001096815777 1016589565 /nfs/dbraw/zinc/58/95/65/1016589565.db2.gz YVXFGWYXEWGREN-NXHRZFHOSA-N 1 2 352.413 2.571 20 30 FFEDLO Cn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001096815777 1016589573 /nfs/dbraw/zinc/58/95/73/1016589573.db2.gz YVXFGWYXEWGREN-NXHRZFHOSA-N 1 2 352.413 2.571 20 30 FFEDLO Cc1cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)cc(=O)o1 ZINC001183829248 1002402382 /nfs/dbraw/zinc/40/23/82/1002402382.db2.gz SCSZCYCEVCTIFE-GOSISDBHSA-N 1 2 351.406 2.813 20 30 FFEDLO Cc1cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)cc(=O)o1 ZINC001183829248 1002402389 /nfs/dbraw/zinc/40/23/89/1002402389.db2.gz SCSZCYCEVCTIFE-GOSISDBHSA-N 1 2 351.406 2.813 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccnc(C)n2)C1 ZINC001092314315 1002663995 /nfs/dbraw/zinc/66/39/95/1002663995.db2.gz FPMVQWSTGYVPNN-HZPDHXFCSA-N 1 2 368.485 2.527 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)c1cocn1 ZINC001096877842 1016669914 /nfs/dbraw/zinc/66/99/14/1016669914.db2.gz KSAZNYCSAMLERV-NUJGCVRESA-N 1 2 355.825 2.715 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)c1cocn1 ZINC001096877842 1016669924 /nfs/dbraw/zinc/66/99/24/1016669924.db2.gz KSAZNYCSAMLERV-NUJGCVRESA-N 1 2 355.825 2.715 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC(F)(F)F)C3)c(F)c1 ZINC001110355113 1002770346 /nfs/dbraw/zinc/77/03/46/1002770346.db2.gz MGEJIFGIPNSTDC-YUELXQCFSA-N 1 2 355.335 2.871 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC(F)(F)F)C3)c(F)c1 ZINC001110355113 1002770386 /nfs/dbraw/zinc/77/03/86/1002770386.db2.gz MGEJIFGIPNSTDC-YUELXQCFSA-N 1 2 355.335 2.871 20 30 FFEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)c1nccn12 ZINC001092373193 1002788864 /nfs/dbraw/zinc/78/88/64/1002788864.db2.gz QGRSNOJLXZUBMV-BBWFWOEESA-N 1 2 354.498 2.551 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110359080 1002875961 /nfs/dbraw/zinc/87/59/61/1002875961.db2.gz ANGRLVNFVXTRTQ-KORVSZGISA-N 1 2 371.456 2.734 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110359080 1002875977 /nfs/dbraw/zinc/87/59/77/1002875977.db2.gz ANGRLVNFVXTRTQ-KORVSZGISA-N 1 2 371.456 2.734 20 30 FFEDLO C=CCCc1ccc(C(=O)N2CCC3(CCn4c(C)c[nH+]c43)CC2)c(=O)[nH]1 ZINC001185352592 1002913858 /nfs/dbraw/zinc/91/38/58/1002913858.db2.gz NSBDYWRBXCWUHO-UHFFFAOYSA-N 1 2 366.465 2.988 20 30 FFEDLO CC[C@@H](C)N1C[C@@]2(F)C[N@H+](CCCc3ccc(C#N)cc3)C[C@@]2(F)C1=O ZINC001276280726 1016702780 /nfs/dbraw/zinc/70/27/80/1016702780.db2.gz QASXCDLZXFEILQ-UIAACRFSSA-N 1 2 361.436 2.864 20 30 FFEDLO CC[C@@H](C)N1C[C@@]2(F)C[N@@H+](CCCc3ccc(C#N)cc3)C[C@@]2(F)C1=O ZINC001276280726 1016702796 /nfs/dbraw/zinc/70/27/96/1016702796.db2.gz QASXCDLZXFEILQ-UIAACRFSSA-N 1 2 361.436 2.864 20 30 FFEDLO C#CCC1(C(=O)N2C[C@@H](C)[C@H](CCNc3cc[nH+]c(C)n3)C2)CCOCC1 ZINC001092625368 1003330214 /nfs/dbraw/zinc/33/02/14/1003330214.db2.gz NMAGYZOWBVSOLD-SJLPKXTDSA-N 1 2 370.497 2.502 20 30 FFEDLO CCOC(=O)CCC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 ZINC000793510434 1003391848 /nfs/dbraw/zinc/39/18/48/1003391848.db2.gz BXVKAMZOMSIQQS-UHFFFAOYSA-N 1 2 371.481 2.612 20 30 FFEDLO CCOC(=O)CC[C@H]1CCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793511040 1003392411 /nfs/dbraw/zinc/39/24/11/1003392411.db2.gz HYDOSNFSPJXFRX-MRXNPFEDSA-N 1 2 371.481 2.612 20 30 FFEDLO CCOC(=O)CC[C@H]1CCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793511040 1003392421 /nfs/dbraw/zinc/39/24/21/1003392421.db2.gz HYDOSNFSPJXFRX-MRXNPFEDSA-N 1 2 371.481 2.612 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)co1 ZINC001096974668 1016792762 /nfs/dbraw/zinc/79/27/62/1016792762.db2.gz BDEKFSSOIXYSSD-KYJSFNMBSA-N 1 2 368.412 2.783 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(F)cc(F)c2)[nH]1 ZINC001096972113 1016790242 /nfs/dbraw/zinc/79/02/42/1016790242.db2.gz HLQJGHHJMJJHED-NXHRZFHOSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(F)cc(F)c2)[nH]1 ZINC001096972113 1016790254 /nfs/dbraw/zinc/79/02/54/1016790254.db2.gz HLQJGHHJMJJHED-NXHRZFHOSA-N 1 2 356.376 2.700 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)co1 ZINC001096974668 1016792772 /nfs/dbraw/zinc/79/27/72/1016792772.db2.gz BDEKFSSOIXYSSD-KYJSFNMBSA-N 1 2 368.412 2.783 20 30 FFEDLO C=C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(OC)no1)c1ccccc1 ZINC001110136751 1003598257 /nfs/dbraw/zinc/59/82/57/1003598257.db2.gz NOHBHVUNEKNMQO-YSHGAJCASA-N 1 2 367.449 2.875 20 30 FFEDLO C=C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(OC)no1)c1ccccc1 ZINC001110136751 1003598264 /nfs/dbraw/zinc/59/82/64/1003598264.db2.gz NOHBHVUNEKNMQO-YSHGAJCASA-N 1 2 367.449 2.875 20 30 FFEDLO Cc1nscc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001096978103 1016797770 /nfs/dbraw/zinc/79/77/70/1016797770.db2.gz JQSXSDWJHBOMJX-OLMNPRSZSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1nscc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001096978103 1016797779 /nfs/dbraw/zinc/79/77/79/1016797779.db2.gz JQSXSDWJHBOMJX-OLMNPRSZSA-N 1 2 370.453 2.998 20 30 FFEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 ZINC001196074261 1003662437 /nfs/dbraw/zinc/66/24/37/1003662437.db2.gz PUVHWDSJMVIJIA-HUUCEWRRSA-N 1 2 374.428 2.895 20 30 FFEDLO CC(C)(C#N)c1ccccc1C[N@H+]1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 ZINC001196074261 1003662442 /nfs/dbraw/zinc/66/24/42/1003662442.db2.gz PUVHWDSJMVIJIA-HUUCEWRRSA-N 1 2 374.428 2.895 20 30 FFEDLO CCc1ccc([C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C)CC[NH2+]2)cc1 ZINC001196229719 1003722203 /nfs/dbraw/zinc/72/22/03/1003722203.db2.gz TVDOSUCCEHUWRJ-IBGZPJMESA-N 1 2 369.490 2.764 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc(COC)s2)C1 ZINC001086626050 1003821463 /nfs/dbraw/zinc/82/14/63/1003821463.db2.gz QHUJKAXAHJXOJV-DLBZAZTESA-N 1 2 369.490 2.511 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc(COC)s2)C1 ZINC001086626050 1003821481 /nfs/dbraw/zinc/82/14/81/1003821481.db2.gz QHUJKAXAHJXOJV-DLBZAZTESA-N 1 2 369.490 2.511 20 30 FFEDLO N#Cc1cc(F)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c(F)c1 ZINC001191928327 1004000001 /nfs/dbraw/zinc/00/00/01/1004000001.db2.gz RUQLBKVKMGRDBH-CQSZACIVSA-N 1 2 355.335 2.782 20 30 FFEDLO CCCCCCC[C@H](C)NC(=O)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001192949416 1004324523 /nfs/dbraw/zinc/32/45/23/1004324523.db2.gz AAIXZLNBALDQTB-GOEBONIOSA-N 1 2 352.479 2.552 20 30 FFEDLO N#CC1(NC(=O)c2ccc(F)c(C=O)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000867252169 1004449067 /nfs/dbraw/zinc/44/90/67/1004449067.db2.gz MDWJEASYDQHBQF-UHFFFAOYSA-N 1 2 365.408 2.926 20 30 FFEDLO CCCCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001198313394 1004572858 /nfs/dbraw/zinc/57/28/58/1004572858.db2.gz KKXDVQPIZZYWAH-RTBURBONSA-N 1 2 362.901 2.823 20 30 FFEDLO CCCCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001198313394 1004572868 /nfs/dbraw/zinc/57/28/68/1004572868.db2.gz KKXDVQPIZZYWAH-RTBURBONSA-N 1 2 362.901 2.823 20 30 FFEDLO C=CCOC(=O)NC1(C(=O)OC)CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001194331242 1004715184 /nfs/dbraw/zinc/71/51/84/1004715184.db2.gz XOGNTVKSPQVDHM-UHFFFAOYSA-N 1 2 366.845 2.760 20 30 FFEDLO CCCCC[C@@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1)C(C)C ZINC001131108346 1004729313 /nfs/dbraw/zinc/72/93/13/1004729313.db2.gz QNSDDIVKUODZPP-KZNAEPCWSA-N 1 2 359.518 2.680 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)C1CC1 ZINC001110518491 1004734113 /nfs/dbraw/zinc/73/41/13/1004734113.db2.gz PNCZALNXDNOGTI-YSTOQKLRSA-N 1 2 372.896 2.838 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)C1CC1 ZINC001110518491 1004734116 /nfs/dbraw/zinc/73/41/16/1004734116.db2.gz PNCZALNXDNOGTI-YSTOQKLRSA-N 1 2 372.896 2.838 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000867300247 1004817804 /nfs/dbraw/zinc/81/78/04/1004817804.db2.gz AXBNUEMBTLWZLR-SFHVURJKSA-N 1 2 369.490 2.566 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000867300247 1004817807 /nfs/dbraw/zinc/81/78/07/1004817807.db2.gz AXBNUEMBTLWZLR-SFHVURJKSA-N 1 2 369.490 2.566 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCC(C)CC1 ZINC001110464133 1004859955 /nfs/dbraw/zinc/85/99/55/1004859955.db2.gz JUEXUTSSSSUUGZ-WKXIVMOISA-N 1 2 373.541 2.596 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCC(C)CC1 ZINC001110464133 1004859962 /nfs/dbraw/zinc/85/99/62/1004859962.db2.gz JUEXUTSSSSUUGZ-WKXIVMOISA-N 1 2 373.541 2.596 20 30 FFEDLO CCOC1CC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)C1 ZINC001097026932 1016916688 /nfs/dbraw/zinc/91/66/88/1016916688.db2.gz VRNDNOCTNRPFNG-TUEWSUPBSA-N 1 2 353.466 2.595 20 30 FFEDLO CCOC1CC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)C1 ZINC001097026932 1016916704 /nfs/dbraw/zinc/91/67/04/1016916704.db2.gz VRNDNOCTNRPFNG-TUEWSUPBSA-N 1 2 353.466 2.595 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2c(Cl)oc3ccccc32)C[C@H]1O ZINC001195312326 1004939611 /nfs/dbraw/zinc/93/96/11/1004939611.db2.gz MJNOIRMFLPLJQM-HUUCEWRRSA-N 1 2 362.857 2.960 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2c(Cl)oc3ccccc32)C[C@H]1O ZINC001195312326 1004939613 /nfs/dbraw/zinc/93/96/13/1004939613.db2.gz MJNOIRMFLPLJQM-HUUCEWRRSA-N 1 2 362.857 2.960 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2sccc2Cl)C[C@H]1O ZINC001195333331 1004950532 /nfs/dbraw/zinc/95/05/32/1004950532.db2.gz GCVRIJOMZASWGM-HUUCEWRRSA-N 1 2 354.903 2.647 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2sccc2Cl)C[C@H]1O ZINC001195333331 1004950534 /nfs/dbraw/zinc/95/05/34/1004950534.db2.gz GCVRIJOMZASWGM-HUUCEWRRSA-N 1 2 354.903 2.647 20 30 FFEDLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC2CC2)C3)cc1Cl ZINC001110539026 1004996905 /nfs/dbraw/zinc/99/69/05/1004996905.db2.gz ANRULRQHIOOSKF-NXHRZFHOSA-N 1 2 358.869 2.984 20 30 FFEDLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC2CC2)C3)cc1Cl ZINC001110539026 1004996907 /nfs/dbraw/zinc/99/69/07/1004996907.db2.gz ANRULRQHIOOSKF-NXHRZFHOSA-N 1 2 358.869 2.984 20 30 FFEDLO C=CCSc1ncccc1C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001199737095 1005017213 /nfs/dbraw/zinc/01/72/13/1005017213.db2.gz XMSREUOLLHUNSU-UHFFFAOYSA-N 1 2 368.506 2.755 20 30 FFEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(-c2ccccc2)o1 ZINC001110543348 1005042623 /nfs/dbraw/zinc/04/26/23/1005042623.db2.gz NSSPJRXVTIBAGF-QRVBRYPASA-N 1 2 361.445 2.977 20 30 FFEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(-c2ccccc2)o1 ZINC001110543348 1005042629 /nfs/dbraw/zinc/04/26/29/1005042629.db2.gz NSSPJRXVTIBAGF-QRVBRYPASA-N 1 2 361.445 2.977 20 30 FFEDLO COC(=O)c1ccccc1N[NH+]=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000776189787 1005219088 /nfs/dbraw/zinc/21/90/88/1005219088.db2.gz SQXCGPRNEAQLNW-UHFFFAOYSA-N 1 2 357.385 2.895 20 30 FFEDLO C[NH+]1CCN(C(=O)c2ccc(Nc3cc(C#N)c(F)cc3O)cc2)CC1 ZINC001201615543 1005243941 /nfs/dbraw/zinc/24/39/41/1005243941.db2.gz DAVSVFZSZVTANV-UHFFFAOYSA-N 1 2 354.385 2.534 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C(F)(F)F)CCOCC1)C2 ZINC001110575523 1005315990 /nfs/dbraw/zinc/31/59/90/1005315990.db2.gz QHRXAVMCFYWUST-UPJWGTAASA-N 1 2 366.811 2.820 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C(F)(F)F)CCOCC1)C2 ZINC001110575523 1005315995 /nfs/dbraw/zinc/31/59/95/1005315995.db2.gz QHRXAVMCFYWUST-UPJWGTAASA-N 1 2 366.811 2.820 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)(C)C ZINC001488503173 1005360081 /nfs/dbraw/zinc/36/00/81/1005360081.db2.gz HZOQIZKXPCBCFM-FMKPAKJESA-N 1 2 360.502 2.763 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)(C)C ZINC001488503173 1005360084 /nfs/dbraw/zinc/36/00/84/1005360084.db2.gz HZOQIZKXPCBCFM-FMKPAKJESA-N 1 2 360.502 2.763 20 30 FFEDLO C[C@@H](C#N)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2noc(C3CCCCC3)n2)C1 ZINC001488902029 1005374259 /nfs/dbraw/zinc/37/42/59/1005374259.db2.gz IQVMUCTULYZOIS-OFQRWUPVSA-N 1 2 359.474 2.651 20 30 FFEDLO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c3ccccc3c1=O)C2 ZINC001095674644 1016967746 /nfs/dbraw/zinc/96/77/46/1016967746.db2.gz CMFICNVXNOUMCT-CCKFTAQKSA-N 1 2 351.450 2.829 20 30 FFEDLO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c3ccccc3c1=O)C2 ZINC001095674644 1016967755 /nfs/dbraw/zinc/96/77/55/1016967755.db2.gz CMFICNVXNOUMCT-CCKFTAQKSA-N 1 2 351.450 2.829 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1 ZINC001110599018 1005429578 /nfs/dbraw/zinc/42/95/78/1005429578.db2.gz WZSCRTDKEIRFAY-KURKYZTESA-N 1 2 355.482 2.949 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1 ZINC001110599018 1005429579 /nfs/dbraw/zinc/42/95/79/1005429579.db2.gz WZSCRTDKEIRFAY-KURKYZTESA-N 1 2 355.482 2.949 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(CC)CC ZINC001110601073 1005466578 /nfs/dbraw/zinc/46/65/78/1005466578.db2.gz IOKPSMUSGQDWES-OAGGEKHMSA-N 1 2 369.937 2.791 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(CC)CC ZINC001110601073 1005466580 /nfs/dbraw/zinc/46/65/80/1005466580.db2.gz IOKPSMUSGQDWES-OAGGEKHMSA-N 1 2 369.937 2.791 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1C ZINC001490118345 1005652080 /nfs/dbraw/zinc/65/20/80/1005652080.db2.gz IOHNQCPNUQDTEQ-QAPCUYQASA-N 1 2 366.465 2.804 20 30 FFEDLO C=CCCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001490616793 1005745769 /nfs/dbraw/zinc/74/57/69/1005745769.db2.gz MAPBUZMXCONCJR-SQNIBIBYSA-N 1 2 366.465 2.861 20 30 FFEDLO CCCN1C(=O)CC[C@@H](C(=O)O[C@H](C)CC(C)(C)C#N)[C@@H]1c1c[nH+]cn1C ZINC000851204152 1005867576 /nfs/dbraw/zinc/86/75/76/1005867576.db2.gz KUDJEZYXZPDROU-IIDMSEBBSA-N 1 2 374.485 2.981 20 30 FFEDLO COCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)CC1 ZINC001110645560 1005950421 /nfs/dbraw/zinc/95/04/21/1005950421.db2.gz BEHLDAGNNSMZOU-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO COCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)CC1 ZINC001110645560 1005950424 /nfs/dbraw/zinc/95/04/24/1005950424.db2.gz BEHLDAGNNSMZOU-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(OC)cccc1OC)C2 ZINC001095699955 1017014700 /nfs/dbraw/zinc/01/47/00/1017014700.db2.gz MRSNMHSQBQGEQI-KBMXLJTQSA-N 1 2 364.873 2.720 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(OC)cccc1OC)C2 ZINC001095699955 1017014715 /nfs/dbraw/zinc/01/47/15/1017014715.db2.gz MRSNMHSQBQGEQI-KBMXLJTQSA-N 1 2 364.873 2.720 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccc(C)cc3C)C[C@H]21 ZINC001187714110 1006210802 /nfs/dbraw/zinc/21/08/02/1006210802.db2.gz MNQXSYWPRILQES-AZUAARDMSA-N 1 2 367.493 2.578 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccc(C)cc3C)C[C@H]21 ZINC001187714110 1006210813 /nfs/dbraw/zinc/21/08/13/1006210813.db2.gz MNQXSYWPRILQES-AZUAARDMSA-N 1 2 367.493 2.578 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1CC[C@H]2C[N@H+](CC(=C)Br)C[C@H]21)OCC ZINC001188095080 1006409356 /nfs/dbraw/zinc/40/93/56/1006409356.db2.gz FOCFHXXMDWHHFI-XHSDSOJGSA-N 1 2 371.319 2.799 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1CC[C@H]2C[N@@H+](CC(=C)Br)C[C@H]21)OCC ZINC001188095080 1006409365 /nfs/dbraw/zinc/40/93/65/1006409365.db2.gz FOCFHXXMDWHHFI-XHSDSOJGSA-N 1 2 371.319 2.799 20 30 FFEDLO Cc1ccc(N2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)C2)cc1C ZINC000747972325 1006421409 /nfs/dbraw/zinc/42/14/09/1006421409.db2.gz YDVPDGZKQSTYJF-RXVVDRJESA-N 1 2 356.514 2.868 20 30 FFEDLO Cc1ccc(N2CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)C2)cc1C ZINC000747972325 1006421414 /nfs/dbraw/zinc/42/14/14/1006421414.db2.gz YDVPDGZKQSTYJF-RXVVDRJESA-N 1 2 356.514 2.868 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000853613970 1006477492 /nfs/dbraw/zinc/47/74/92/1006477492.db2.gz PKSZZWZDMXBAHP-QGZVFWFLSA-N 1 2 356.470 2.966 20 30 FFEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3cncc(Br)c3)CC2)nc1 ZINC001206126296 1032153320 /nfs/dbraw/zinc/15/33/20/1032153320.db2.gz SUNRZAGEQAXCIG-UHFFFAOYSA-N 1 2 372.270 2.823 20 30 FFEDLO N#Cc1ccc(N2CCC[N@H+](Cc3cncc(Br)c3)CC2)nc1 ZINC001206126296 1032153323 /nfs/dbraw/zinc/15/33/23/1032153323.db2.gz SUNRZAGEQAXCIG-UHFFFAOYSA-N 1 2 372.270 2.823 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1coc(-c2ccc(F)cc2)n1 ZINC001110402136 1006719735 /nfs/dbraw/zinc/71/97/35/1006719735.db2.gz YFZKQDDSNQTMMF-BTPDRXCOSA-N 1 2 368.412 2.862 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1coc(-c2ccc(F)cc2)n1 ZINC001110402136 1006719744 /nfs/dbraw/zinc/71/97/44/1006719744.db2.gz YFZKQDDSNQTMMF-BTPDRXCOSA-N 1 2 368.412 2.862 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(-c2ccc(F)cc2)o1 ZINC001110403547 1006771434 /nfs/dbraw/zinc/77/14/34/1006771434.db2.gz TZYGPEQTWOZKRW-DXEWXGHRSA-N 1 2 368.412 2.862 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(-c2ccc(F)cc2)o1 ZINC001110403547 1006771448 /nfs/dbraw/zinc/77/14/48/1006771448.db2.gz TZYGPEQTWOZKRW-DXEWXGHRSA-N 1 2 368.412 2.862 20 30 FFEDLO CCCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110415854 1007247902 /nfs/dbraw/zinc/24/79/02/1007247902.db2.gz BZALJMYDDWEJIP-QRQLOZEOSA-N 1 2 359.445 2.736 20 30 FFEDLO CCCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110415854 1007247910 /nfs/dbraw/zinc/24/79/10/1007247910.db2.gz BZALJMYDDWEJIP-QRQLOZEOSA-N 1 2 359.445 2.736 20 30 FFEDLO CSc1ccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1C#N ZINC000884236218 1007332984 /nfs/dbraw/zinc/33/29/84/1007332984.db2.gz ORBFOTNABJXZGP-MRXNPFEDSA-N 1 2 367.478 2.753 20 30 FFEDLO C[C@@H]([NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1)c1cccc(C#N)c1 ZINC000775338030 1007402781 /nfs/dbraw/zinc/40/27/81/1007402781.db2.gz NTJOANJXCCZMTQ-GFCCVEGCSA-N 1 2 370.363 2.986 20 30 FFEDLO C#Cc1ccccc1C(=O)NCCSCc1csc(C[NH+](C)C)n1 ZINC001191116641 1007894363 /nfs/dbraw/zinc/89/43/63/1007894363.db2.gz KNBSVLFKIMHHTQ-UHFFFAOYSA-N 1 2 359.520 2.849 20 30 FFEDLO CCCCCCCNC(=O)Nc1sc2c(c1C(N)=O)CC[N@@H+](C)C2 ZINC001191084473 1007898004 /nfs/dbraw/zinc/89/80/04/1007898004.db2.gz PAAAQJZPSROEIL-UHFFFAOYSA-N 1 2 352.504 2.927 20 30 FFEDLO CCCCCCCNC(=O)Nc1sc2c(c1C(N)=O)CC[N@H+](C)C2 ZINC001191084473 1007898012 /nfs/dbraw/zinc/89/80/12/1007898012.db2.gz PAAAQJZPSROEIL-UHFFFAOYSA-N 1 2 352.504 2.927 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1)C1CC1 ZINC000858013657 1008277226 /nfs/dbraw/zinc/27/72/26/1008277226.db2.gz JRULNLGQNWOUQD-GHTZIAJQSA-N 1 2 368.481 2.611 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1)C1CC1 ZINC000858013657 1008277233 /nfs/dbraw/zinc/27/72/33/1008277233.db2.gz JRULNLGQNWOUQD-GHTZIAJQSA-N 1 2 368.481 2.611 20 30 FFEDLO C#CCn1ccc(CN(CC)c2nc(N3Cc4ccccc4C3)cc[nH+]2)n1 ZINC000858519639 1008373769 /nfs/dbraw/zinc/37/37/69/1008373769.db2.gz HULTYKXXXSUZSZ-UHFFFAOYSA-N 1 2 358.449 2.853 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000859018982 1008465726 /nfs/dbraw/zinc/46/57/26/1008465726.db2.gz HKOOCMKCYCLLQX-QGZVFWFLSA-N 1 2 358.486 2.537 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cc(F)cc(Br)c2F)CC1 ZINC001136498962 1008493882 /nfs/dbraw/zinc/49/38/82/1008493882.db2.gz FXWOFUUORMNRAX-UHFFFAOYSA-N 1 2 357.198 2.508 20 30 FFEDLO COc1ncc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1C#N ZINC001177480451 1008642709 /nfs/dbraw/zinc/64/27/09/1008642709.db2.gz ONVFGMBVVXUEJP-KRWDZBQOSA-N 1 2 354.385 2.704 20 30 FFEDLO COc1ncc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1C#N ZINC001177480451 1008642717 /nfs/dbraw/zinc/64/27/17/1008642717.db2.gz ONVFGMBVVXUEJP-KRWDZBQOSA-N 1 2 354.385 2.704 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CCCC2)CCCC1 ZINC001110212715 1008694163 /nfs/dbraw/zinc/69/41/63/1008694163.db2.gz LCWGXGHZMHRLMQ-QYZOEREBSA-N 1 2 373.541 2.903 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CCCC2)CCCC1 ZINC001110212715 1008694178 /nfs/dbraw/zinc/69/41/78/1008694178.db2.gz LCWGXGHZMHRLMQ-QYZOEREBSA-N 1 2 373.541 2.903 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)co1 ZINC001095349938 1008873361 /nfs/dbraw/zinc/87/33/61/1008873361.db2.gz PYJOSNGIAJPCLP-AOIWGVFYSA-N 1 2 353.397 2.509 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)co1 ZINC001095349938 1008873378 /nfs/dbraw/zinc/87/33/78/1008873378.db2.gz PYJOSNGIAJPCLP-AOIWGVFYSA-N 1 2 353.397 2.509 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C[C@H]1C ZINC001206663120 1032378909 /nfs/dbraw/zinc/37/89/09/1032378909.db2.gz ZOFIMZZCIBNQHM-WOSRLPQWSA-N 1 2 356.401 2.577 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C[C@H]1C ZINC001206663120 1032378920 /nfs/dbraw/zinc/37/89/20/1032378920.db2.gz ZOFIMZZCIBNQHM-WOSRLPQWSA-N 1 2 356.401 2.577 20 30 FFEDLO N#Cc1ccc(C[NH2+]Cc2cccc(F)c2I)nc1 ZINC001178856490 1009171437 /nfs/dbraw/zinc/17/14/37/1009171437.db2.gz ZNLYNAQSBSDGKG-UHFFFAOYSA-N 1 2 367.165 2.987 20 30 FFEDLO N#Cc1ccc(NC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCCCC2)nc1 ZINC001093412360 1010244029 /nfs/dbraw/zinc/24/40/29/1010244029.db2.gz WQIKDKDPAXIUKM-HZPDHXFCSA-N 1 2 364.453 2.711 20 30 FFEDLO N#Cc1ccc(NC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCCCC2)nc1 ZINC001093412360 1010244038 /nfs/dbraw/zinc/24/40/38/1010244038.db2.gz WQIKDKDPAXIUKM-HZPDHXFCSA-N 1 2 364.453 2.711 20 30 FFEDLO CN(C(=O)OC(C)(C)C)c1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000863573045 1010259164 /nfs/dbraw/zinc/25/91/64/1010259164.db2.gz JTQVMKWDICXHHK-QGZVFWFLSA-N 1 2 362.474 2.676 20 30 FFEDLO CN(C(=O)OC(C)(C)C)c1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000863573045 1010259173 /nfs/dbraw/zinc/25/91/73/1010259173.db2.gz JTQVMKWDICXHHK-QGZVFWFLSA-N 1 2 362.474 2.676 20 30 FFEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3C)CC2)C1 ZINC001093583141 1010346812 /nfs/dbraw/zinc/34/68/12/1010346812.db2.gz MDQCQKXHLOQTDL-LEWJYISDSA-N 1 2 354.494 2.976 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000794582858 1010378143 /nfs/dbraw/zinc/37/81/43/1010378143.db2.gz GKQSPYBXXVNADH-WMLDXEAASA-N 1 2 358.405 2.784 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000794582858 1010378155 /nfs/dbraw/zinc/37/81/55/1010378155.db2.gz GKQSPYBXXVNADH-WMLDXEAASA-N 1 2 358.405 2.784 20 30 FFEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1=S ZINC000794709792 1010562921 /nfs/dbraw/zinc/56/29/21/1010562921.db2.gz FMYSVURTBUZDIF-IBGZPJMESA-N 1 2 371.510 2.730 20 30 FFEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2CC[C@](C)(C(N)=O)C2)c1=S ZINC000794709792 1010562932 /nfs/dbraw/zinc/56/29/32/1010562932.db2.gz FMYSVURTBUZDIF-IBGZPJMESA-N 1 2 371.510 2.730 20 30 FFEDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)c1 ZINC001206939501 1032514030 /nfs/dbraw/zinc/51/40/30/1032514030.db2.gz IIDSOMFJERRPRS-QWFCFKBJSA-N 1 2 369.509 2.726 20 30 FFEDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)c1 ZINC001206939501 1032514035 /nfs/dbraw/zinc/51/40/35/1032514035.db2.gz IIDSOMFJERRPRS-QWFCFKBJSA-N 1 2 369.509 2.726 20 30 FFEDLO COc1cc(C[C@@H](CO)C[NH2+][C@@H](C)c2cccc(C#N)c2O)cc(OC)c1 ZINC000866277700 1010967483 /nfs/dbraw/zinc/96/74/83/1010967483.db2.gz HBSSEWYOIPARPL-GOEBONIOSA-N 1 2 370.449 2.783 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171483668 1011337714 /nfs/dbraw/zinc/33/77/14/1011337714.db2.gz XMICYHBXQWLYJA-HNAYVOBHSA-N 1 2 374.435 2.753 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171483668 1011337724 /nfs/dbraw/zinc/33/77/24/1011337724.db2.gz XMICYHBXQWLYJA-HNAYVOBHSA-N 1 2 374.435 2.753 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH2+]C[C@@H]2C#N)C[C@H]1C(C)(C)C ZINC001171602268 1011398466 /nfs/dbraw/zinc/39/84/66/1011398466.db2.gz RVVQJPOJUVEINA-JYJNAYRXSA-N 1 2 350.507 2.598 20 30 FFEDLO CCOC(=O)C1(C)CCC([NH2+][C@H](Cc2ccc(C#N)cc2)C(=O)OC)CC1 ZINC001171948537 1011553087 /nfs/dbraw/zinc/55/30/87/1011553087.db2.gz NTGZGIUQHNVUNL-IDYZSHNDSA-N 1 2 372.465 2.744 20 30 FFEDLO C#CC[C@H]([NH2+]C1CCN(c2ccc(Br)cc2)CC1)C(=O)OC ZINC001171993322 1011555939 /nfs/dbraw/zinc/55/59/39/1011555939.db2.gz XOVNAIJNPSYPIQ-INIZCTEOSA-N 1 2 365.271 2.572 20 30 FFEDLO CCCC#CC(=O)N1CCC2(C[NH+](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC001274655121 1011564926 /nfs/dbraw/zinc/56/49/26/1011564926.db2.gz OPHOJHJABVOODB-UHFFFAOYSA-N 1 2 350.466 2.791 20 30 FFEDLO CCCC[C@@H]1C[C@H](N2CC[NH2+]C[C@H]2C#N)CCN1C(=O)OC(C)(C)C ZINC001172641859 1011912943 /nfs/dbraw/zinc/91/29/43/1011912943.db2.gz LQMQNHQNXRLFFK-BRWVUGGUSA-N 1 2 350.507 2.742 20 30 FFEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCC[C@]23CCN(Cc2cnoc2)C3=O)c1 ZINC001275234677 1012122656 /nfs/dbraw/zinc/12/26/56/1012122656.db2.gz QZDFYOCLCLUYOX-LJQANCHMSA-N 1 2 370.840 2.967 20 30 FFEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCC[C@]23CCN(Cc2cnoc2)C3=O)c1 ZINC001275234677 1012122667 /nfs/dbraw/zinc/12/26/67/1012122667.db2.gz QZDFYOCLCLUYOX-LJQANCHMSA-N 1 2 370.840 2.967 20 30 FFEDLO C=CC[C@@H]([NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)C(=O)OC ZINC001173007222 1012177150 /nfs/dbraw/zinc/17/71/50/1012177150.db2.gz FOALNMLDQIROCC-OAHLLOKOSA-N 1 2 369.368 2.549 20 30 FFEDLO CCC[N@H+](CC(=O)OCC)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172992512 1012196616 /nfs/dbraw/zinc/19/66/16/1012196616.db2.gz YZTVMUQTLQSONG-GJZGRUSLSA-N 1 2 353.463 2.553 20 30 FFEDLO CCC[N@@H+](CC(=O)OCC)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172992512 1012196624 /nfs/dbraw/zinc/19/66/24/1012196624.db2.gz YZTVMUQTLQSONG-GJZGRUSLSA-N 1 2 353.463 2.553 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc3c(cccc3Cl)[nH]1)C2 ZINC001275477446 1012510707 /nfs/dbraw/zinc/51/07/07/1012510707.db2.gz KFHDRCTXDQCAMR-FQEVSTJZSA-N 1 2 371.868 2.505 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc3c(cccc3Cl)[nH]1)C2 ZINC001275477446 1012510725 /nfs/dbraw/zinc/51/07/25/1012510725.db2.gz KFHDRCTXDQCAMR-FQEVSTJZSA-N 1 2 371.868 2.505 20 30 FFEDLO C=CCOc1ccccc1C[NH+]1CC2(C1)COCC(=O)N2C1CCCC1 ZINC001275622504 1012721344 /nfs/dbraw/zinc/72/13/44/1012721344.db2.gz OBLIQMUHPAUNIH-UHFFFAOYSA-N 1 2 356.466 2.607 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)cs1 ZINC001095914412 1012879047 /nfs/dbraw/zinc/87/90/47/1012879047.db2.gz FFUUDTDQXZEHAW-WPGHFRTFSA-N 1 2 358.492 2.920 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)cs1 ZINC001095914412 1012879058 /nfs/dbraw/zinc/87/90/58/1012879058.db2.gz FFUUDTDQXZEHAW-WPGHFRTFSA-N 1 2 358.492 2.920 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)cs1 ZINC001095914422 1012880119 /nfs/dbraw/zinc/88/01/19/1012880119.db2.gz GASAGQARQXYBIV-HFTRVMKXSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)cs1 ZINC001095914422 1012880136 /nfs/dbraw/zinc/88/01/36/1012880136.db2.gz GASAGQARQXYBIV-HFTRVMKXSA-N 1 2 370.453 2.998 20 30 FFEDLO CCC[C@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110887450 1017201095 /nfs/dbraw/zinc/20/10/95/1017201095.db2.gz LOCNHPTUOHMLEG-YSHGAJCASA-N 1 2 359.445 2.734 20 30 FFEDLO CCC[C@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110887450 1017201102 /nfs/dbraw/zinc/20/11/02/1017201102.db2.gz LOCNHPTUOHMLEG-YSHGAJCASA-N 1 2 359.445 2.734 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCC1 ZINC001110887686 1017203943 /nfs/dbraw/zinc/20/39/43/1017203943.db2.gz SZHBWWJEMMCZIQ-KURKYZTESA-N 1 2 361.530 2.759 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCC1 ZINC001110887686 1017203952 /nfs/dbraw/zinc/20/39/52/1017203952.db2.gz SZHBWWJEMMCZIQ-KURKYZTESA-N 1 2 361.530 2.759 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(OC)ccc1OC)C2 ZINC001097265020 1017268742 /nfs/dbraw/zinc/26/87/42/1017268742.db2.gz BRVZKZUPUVQWML-OIISXLGYSA-N 1 2 364.873 2.720 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(OC)ccc1OC)C2 ZINC001097265020 1017268752 /nfs/dbraw/zinc/26/87/52/1017268752.db2.gz BRVZKZUPUVQWML-OIISXLGYSA-N 1 2 364.873 2.720 20 30 FFEDLO C=CCCC[C@H]1NC(=O)N([C@H](Cc2[nH+]ccn2C)c2ccccc2)C1=O ZINC000924561239 1017357028 /nfs/dbraw/zinc/35/70/28/1017357028.db2.gz SKXOXYWBDGAUMC-IAGOWNOFSA-N 1 2 352.438 2.981 20 30 FFEDLO CCc1nnc(C)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001097368556 1017396750 /nfs/dbraw/zinc/39/67/50/1017396750.db2.gz SLXPELBXQQAEMR-QIJUGHKUSA-N 1 2 374.488 2.734 20 30 FFEDLO CCc1nnc(C)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001097368556 1017396760 /nfs/dbraw/zinc/39/67/60/1017396760.db2.gz SLXPELBXQQAEMR-QIJUGHKUSA-N 1 2 374.488 2.734 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C(C)C)C2 ZINC001111448238 1017461612 /nfs/dbraw/zinc/46/16/12/1017461612.db2.gz ARPLPXGVNSRNJN-BMFZPTHFSA-N 1 2 361.511 2.509 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C(C)C)C2 ZINC001111448238 1017461620 /nfs/dbraw/zinc/46/16/20/1017461620.db2.gz ARPLPXGVNSRNJN-BMFZPTHFSA-N 1 2 361.511 2.509 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1cccc(C)c1 ZINC001110898641 1017594327 /nfs/dbraw/zinc/59/43/27/1017594327.db2.gz NLWYGKMVHBLWJR-QRVBRYPASA-N 1 2 369.509 2.545 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1cccc(C)c1 ZINC001110898641 1017594336 /nfs/dbraw/zinc/59/43/36/1017594336.db2.gz NLWYGKMVHBLWJR-QRVBRYPASA-N 1 2 369.509 2.545 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)N(C)c1ccccc1 ZINC001110899461 1017626262 /nfs/dbraw/zinc/62/62/62/1017626262.db2.gz CUOYJOOQNPNMSA-AITUJVMLSA-N 1 2 369.509 2.972 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)N(C)c1ccccc1 ZINC001110899461 1017626267 /nfs/dbraw/zinc/62/62/67/1017626267.db2.gz CUOYJOOQNPNMSA-AITUJVMLSA-N 1 2 369.509 2.972 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000679901533 1017685239 /nfs/dbraw/zinc/68/52/39/1017685239.db2.gz UBZGHFOXSWXTTF-QAPCUYQASA-N 1 2 356.388 2.948 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000679901533 1017685242 /nfs/dbraw/zinc/68/52/42/1017685242.db2.gz UBZGHFOXSWXTTF-QAPCUYQASA-N 1 2 356.388 2.948 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C[C@H]21 ZINC001222069239 1032734378 /nfs/dbraw/zinc/73/43/78/1032734378.db2.gz KMAQSPYPORTWLD-JCKWVBRZSA-N 1 2 350.409 2.589 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]21 ZINC001222069239 1032734389 /nfs/dbraw/zinc/73/43/89/1032734389.db2.gz KMAQSPYPORTWLD-JCKWVBRZSA-N 1 2 350.409 2.589 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnc(OC)nc2C)CC1 ZINC001097789744 1017960963 /nfs/dbraw/zinc/96/09/63/1017960963.db2.gz UKCIOBMYNCSUFA-QRVBRYPASA-N 1 2 370.497 2.762 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnc(OC)nc2C)CC1 ZINC001097789744 1017960975 /nfs/dbraw/zinc/96/09/75/1017960975.db2.gz UKCIOBMYNCSUFA-QRVBRYPASA-N 1 2 370.497 2.762 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(C[NH+]([C@H](CC)c3ccccc3)C2)C1 ZINC001053437490 1018301727 /nfs/dbraw/zinc/30/17/27/1018301727.db2.gz WIKIDLYMDVMPLT-AQNXPRMDSA-N 1 2 370.493 2.642 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)O2 ZINC001053702711 1018416022 /nfs/dbraw/zinc/41/60/22/1018416022.db2.gz BNUZMMVZOWLEQA-CEXWTWQISA-N 1 2 358.457 2.855 20 30 FFEDLO CCC[C@H](OCC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110922994 1018478320 /nfs/dbraw/zinc/47/83/20/1018478320.db2.gz GRSKCXLBCRMFNZ-ZRNYENFQSA-N 1 2 355.482 2.985 20 30 FFEDLO CCC[C@H](OCC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110922994 1018478325 /nfs/dbraw/zinc/47/83/25/1018478325.db2.gz GRSKCXLBCRMFNZ-ZRNYENFQSA-N 1 2 355.482 2.985 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)C(C)C ZINC001110935140 1018711846 /nfs/dbraw/zinc/71/18/46/1018711846.db2.gz ZBLMUVRWFVJDCF-TVFCKZIOSA-N 1 2 370.559 2.524 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)C(C)C ZINC001110935140 1018711859 /nfs/dbraw/zinc/71/18/59/1018711859.db2.gz ZBLMUVRWFVJDCF-TVFCKZIOSA-N 1 2 370.559 2.524 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001096146110 1018848749 /nfs/dbraw/zinc/84/87/49/1018848749.db2.gz OIOBGYNUZBOGBL-IMPIEMTGSA-N 1 2 361.511 2.654 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001096146110 1018848768 /nfs/dbraw/zinc/84/87/68/1018848768.db2.gz OIOBGYNUZBOGBL-IMPIEMTGSA-N 1 2 361.511 2.654 20 30 FFEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)CCOCC1 ZINC001098045627 1019144995 /nfs/dbraw/zinc/14/49/95/1019144995.db2.gz MDEGBONJQPOSRW-AQNXPRMDSA-N 1 2 370.468 2.715 20 30 FFEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)CCOCC1 ZINC001098045627 1019145003 /nfs/dbraw/zinc/14/50/03/1019145003.db2.gz MDEGBONJQPOSRW-AQNXPRMDSA-N 1 2 370.468 2.715 20 30 FFEDLO CCC(=CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]21)CC ZINC001217642975 1032819462 /nfs/dbraw/zinc/81/94/62/1032819462.db2.gz CZRWPZUTTAWQSG-LEWJYISDSA-N 1 2 370.468 2.835 20 30 FFEDLO CCC(=CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]21)CC ZINC001217642975 1032819479 /nfs/dbraw/zinc/81/94/79/1032819479.db2.gz CZRWPZUTTAWQSG-LEWJYISDSA-N 1 2 370.468 2.835 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(N(C)c2cc[nH+]c(C)n2)CC1 ZINC001068734413 1019344126 /nfs/dbraw/zinc/34/41/26/1019344126.db2.gz ANWGVUZYFHVUKP-HKUYNNGSSA-N 1 2 358.486 2.584 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C[C@@H]1C)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001047634639 1019461984 /nfs/dbraw/zinc/46/19/84/1019461984.db2.gz BCUXRBRGZZTABK-JQHSSLGASA-N 1 2 370.497 2.584 20 30 FFEDLO Cc1nocc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001095950283 1019561523 /nfs/dbraw/zinc/56/15/23/1019561523.db2.gz GGRVUTKAKZOVEB-NEWSRXKRSA-N 1 2 353.397 2.509 20 30 FFEDLO Cc1nocc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001095950283 1019561531 /nfs/dbraw/zinc/56/15/31/1019561531.db2.gz GGRVUTKAKZOVEB-NEWSRXKRSA-N 1 2 353.397 2.509 20 30 FFEDLO CCN(CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1cccc(F)c1C#N ZINC001095982881 1019695906 /nfs/dbraw/zinc/69/59/06/1019695906.db2.gz HUMUCCOUWSPEKD-ZIAGYGMSSA-N 1 2 355.417 2.557 20 30 FFEDLO CCN(CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1cccc(F)c1C#N ZINC001095982881 1019695914 /nfs/dbraw/zinc/69/59/14/1019695914.db2.gz HUMUCCOUWSPEKD-ZIAGYGMSSA-N 1 2 355.417 2.557 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1c[nH]nc1C1CC1 ZINC001096273364 1019779256 /nfs/dbraw/zinc/77/92/56/1019779256.db2.gz GNJYPFXNMBBWDQ-HOJAQTOUSA-N 1 2 360.461 2.674 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1c[nH]nc1C1CC1 ZINC001096273364 1019779272 /nfs/dbraw/zinc/77/92/72/1019779272.db2.gz GNJYPFXNMBBWDQ-HOJAQTOUSA-N 1 2 360.461 2.674 20 30 FFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(C#N)nc1 ZINC001048375887 1020179180 /nfs/dbraw/zinc/17/91/80/1020179180.db2.gz FGPVAWMCIRTZOO-CLCXKQKWSA-N 1 2 366.469 2.594 20 30 FFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(C#N)nc1 ZINC001048375887 1020179188 /nfs/dbraw/zinc/17/91/88/1020179188.db2.gz FGPVAWMCIRTZOO-CLCXKQKWSA-N 1 2 366.469 2.594 20 30 FFEDLO C[C@H]1C[N@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)Cc2ccccc21 ZINC000725765294 1020254377 /nfs/dbraw/zinc/25/43/77/1020254377.db2.gz LXSBBTMZVLRWDD-OYHNWAKOSA-N 1 2 374.444 2.902 20 30 FFEDLO C[C@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)Cc2ccccc21 ZINC000725765294 1020254386 /nfs/dbraw/zinc/25/43/86/1020254386.db2.gz LXSBBTMZVLRWDD-OYHNWAKOSA-N 1 2 374.444 2.902 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(F)c2)nc1 ZINC001096372107 1020258069 /nfs/dbraw/zinc/25/80/69/1020258069.db2.gz FFDUMYAKYBLGOK-XPGWFJOJSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(F)c2)nc1 ZINC001096372107 1020258072 /nfs/dbraw/zinc/25/80/72/1020258072.db2.gz FFDUMYAKYBLGOK-XPGWFJOJSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)c(C)s2)nc1 ZINC001096371997 1020258144 /nfs/dbraw/zinc/25/81/44/1020258144.db2.gz CNBGLGAHRONFBK-NJAFHUGGSA-N 1 2 366.490 2.672 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)c(C)s2)nc1 ZINC001096371997 1020258149 /nfs/dbraw/zinc/25/81/49/1020258149.db2.gz CNBGLGAHRONFBK-NJAFHUGGSA-N 1 2 366.490 2.672 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCCC(C)(C)C)C1 ZINC001111001418 1020285969 /nfs/dbraw/zinc/28/59/69/1020285969.db2.gz BOGCKSDNLUBYEY-ZACQAIPSSA-N 1 2 361.530 2.617 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCCC(C)(C)C)C1 ZINC001111001418 1020285973 /nfs/dbraw/zinc/28/59/73/1020285973.db2.gz BOGCKSDNLUBYEY-ZACQAIPSSA-N 1 2 361.530 2.617 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(-c3cnn(C)c3)s2)n1 ZINC000802650809 1020295572 /nfs/dbraw/zinc/29/55/72/1020295572.db2.gz BCTPASGRZNXWJT-UHFFFAOYSA-N 1 2 369.494 2.627 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(-c3cnn(C)c3)s2)n1 ZINC000802650809 1020295576 /nfs/dbraw/zinc/29/55/76/1020295576.db2.gz BCTPASGRZNXWJT-UHFFFAOYSA-N 1 2 369.494 2.627 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)cn1 ZINC001096382258 1020303099 /nfs/dbraw/zinc/30/30/99/1020303099.db2.gz DJDVLWFYUQNBLB-GIVPXCGWSA-N 1 2 374.419 2.609 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)cn1 ZINC001096382258 1020303102 /nfs/dbraw/zinc/30/31/02/1020303102.db2.gz DJDVLWFYUQNBLB-GIVPXCGWSA-N 1 2 374.419 2.609 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(F)ccc2F)cn1 ZINC001096382941 1020306125 /nfs/dbraw/zinc/30/61/25/1020306125.db2.gz STZPQNVFIYDXCQ-HOJAQTOUSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(F)ccc2F)cn1 ZINC001096382941 1020306132 /nfs/dbraw/zinc/30/61/32/1020306132.db2.gz STZPQNVFIYDXCQ-HOJAQTOUSA-N 1 2 367.399 2.876 20 30 FFEDLO CC1(C)C(=O)N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)[C@H]1c1ccccc1 ZINC000902599768 1020330572 /nfs/dbraw/zinc/33/05/72/1020330572.db2.gz JMBURPWGESOLDV-SFHVURJKSA-N 1 2 354.450 2.891 20 30 FFEDLO CC[N@H+](CCC(F)(F)F)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000726588797 1020491680 /nfs/dbraw/zinc/49/16/80/1020491680.db2.gz MKVCLHAYXJGVAN-UHFFFAOYSA-N 1 2 368.359 2.554 20 30 FFEDLO CC[N@@H+](CCC(F)(F)F)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000726588797 1020491684 /nfs/dbraw/zinc/49/16/84/1020491684.db2.gz MKVCLHAYXJGVAN-UHFFFAOYSA-N 1 2 368.359 2.554 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001073420573 1020576987 /nfs/dbraw/zinc/57/69/87/1020576987.db2.gz DOUSIODXEVUODU-INMHGKMJSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001073420573 1020576998 /nfs/dbraw/zinc/57/69/98/1020576998.db2.gz DOUSIODXEVUODU-INMHGKMJSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001073421057 1020577785 /nfs/dbraw/zinc/57/77/85/1020577785.db2.gz OCPUPBQVIKYFPW-INMHGKMJSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001073421057 1020577795 /nfs/dbraw/zinc/57/77/95/1020577795.db2.gz OCPUPBQVIKYFPW-INMHGKMJSA-N 1 2 358.486 2.613 20 30 FFEDLO Cc1nc([C@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)no1 ZINC000931948852 1020640719 /nfs/dbraw/zinc/64/07/19/1020640719.db2.gz LCVZTZOSEVKDLR-RDJZCZTQSA-N 1 2 367.453 2.811 20 30 FFEDLO Cc1nc([C@H]2CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)no1 ZINC000931948852 1020640721 /nfs/dbraw/zinc/64/07/21/1020640721.db2.gz LCVZTZOSEVKDLR-RDJZCZTQSA-N 1 2 367.453 2.811 20 30 FFEDLO CC(C)n1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)cn1 ZINC001098199281 1020724944 /nfs/dbraw/zinc/72/49/44/1020724944.db2.gz QKPAQKIESKHBEN-OLMNPRSZSA-N 1 2 369.494 2.932 20 30 FFEDLO CC(C)n1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)cn1 ZINC001098199281 1020724951 /nfs/dbraw/zinc/72/49/51/1020724951.db2.gz QKPAQKIESKHBEN-OLMNPRSZSA-N 1 2 369.494 2.932 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](C#N)C1 ZINC000932156320 1020727336 /nfs/dbraw/zinc/72/73/36/1020727336.db2.gz AVPRSDWWUWNBFW-QYZOEREBSA-N 1 2 373.497 2.719 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](C#N)C1 ZINC000932156320 1020727341 /nfs/dbraw/zinc/72/73/41/1020727341.db2.gz AVPRSDWWUWNBFW-QYZOEREBSA-N 1 2 373.497 2.719 20 30 FFEDLO CCCOCC(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001222388558 1032932654 /nfs/dbraw/zinc/93/26/54/1032932654.db2.gz UCWHNBBGVOHCPN-BEFAXECRSA-N 1 2 359.445 2.547 20 30 FFEDLO CCCOCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001222388558 1032932666 /nfs/dbraw/zinc/93/26/66/1032932666.db2.gz UCWHNBBGVOHCPN-BEFAXECRSA-N 1 2 359.445 2.547 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)OCC3CC3)C[C@@H]21 ZINC001222397417 1032937346 /nfs/dbraw/zinc/93/73/46/1032937346.db2.gz AKXHPPGUDGBBNB-BMFZPTHFSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)OCC3CC3)C[C@@H]21 ZINC001222397417 1032937359 /nfs/dbraw/zinc/93/73/59/1032937359.db2.gz AKXHPPGUDGBBNB-BMFZPTHFSA-N 1 2 371.319 2.633 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)N[C@@H](CC#N)C(F)(F)F)c1ccccc1 ZINC000932893898 1020920483 /nfs/dbraw/zinc/92/04/83/1020920483.db2.gz PIZMWFXCUVUCRI-KGLIPLIRSA-N 1 2 365.359 2.848 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000933631425 1021055389 /nfs/dbraw/zinc/05/53/89/1021055389.db2.gz ZMKJWICLNJAVTC-RTBURBONSA-N 1 2 353.378 2.573 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000933631425 1021055393 /nfs/dbraw/zinc/05/53/93/1021055393.db2.gz ZMKJWICLNJAVTC-RTBURBONSA-N 1 2 353.378 2.573 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCOC[C@H]1C[C@@H]1CCCO1)c1ccccc1 ZINC000933690598 1021070899 /nfs/dbraw/zinc/07/08/99/1021070899.db2.gz VVYSBKMRHWLWPT-QHAWAJNXSA-N 1 2 356.466 2.697 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCOC[C@H]1C[C@@H]1CCCO1)c1ccccc1 ZINC000933690598 1021070904 /nfs/dbraw/zinc/07/09/04/1021070904.db2.gz VVYSBKMRHWLWPT-QHAWAJNXSA-N 1 2 356.466 2.697 20 30 FFEDLO Cc1ocnc1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001098749743 1021108375 /nfs/dbraw/zinc/10/83/75/1021108375.db2.gz WLXXNUDWXQOLCS-JXFKEZNVSA-N 1 2 368.412 2.778 20 30 FFEDLO Cc1ocnc1C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001098749743 1021108376 /nfs/dbraw/zinc/10/83/76/1021108376.db2.gz WLXXNUDWXQOLCS-JXFKEZNVSA-N 1 2 368.412 2.778 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ncccc2C)C1 ZINC001098773489 1021132041 /nfs/dbraw/zinc/13/20/41/1021132041.db2.gz ITTLRAJXHIBSCF-YOEHRIQHSA-N 1 2 364.287 2.883 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ncccc2C)C1 ZINC001098773489 1021132043 /nfs/dbraw/zinc/13/20/43/1021132043.db2.gz ITTLRAJXHIBSCF-YOEHRIQHSA-N 1 2 364.287 2.883 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cnn(C4CCC4)c3)CC2)cc1 ZINC000934325206 1021197796 /nfs/dbraw/zinc/19/77/96/1021197796.db2.gz AIQOVKASUUWQES-UHFFFAOYSA-N 1 2 364.453 2.829 20 30 FFEDLO CC(C)[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000778242793 1021213275 /nfs/dbraw/zinc/21/32/75/1021213275.db2.gz XQPAKCIMVNKCOS-QAPCUYQASA-N 1 2 350.422 2.580 20 30 FFEDLO CC(C)[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000778242793 1021213285 /nfs/dbraw/zinc/21/32/85/1021213285.db2.gz XQPAKCIMVNKCOS-QAPCUYQASA-N 1 2 350.422 2.580 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000469221141 1021496767 /nfs/dbraw/zinc/49/67/67/1021496767.db2.gz NDEYSZYTYRNCFL-MRXNPFEDSA-N 1 2 361.405 2.967 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C3)c1 ZINC001099021750 1021612036 /nfs/dbraw/zinc/61/20/36/1021612036.db2.gz QUPJXOVSPZHVTI-HPZYMESNSA-N 1 2 364.276 2.966 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@]23CCC[C@H]2C[N@H+](C/C(Cl)=C/Cl)C3)c1 ZINC001099021750 1021612040 /nfs/dbraw/zinc/61/20/40/1021612040.db2.gz QUPJXOVSPZHVTI-HPZYMESNSA-N 1 2 364.276 2.966 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)N(C)Cc2ccccc2C)cc1 ZINC000113249075 1021891573 /nfs/dbraw/zinc/89/15/73/1021891573.db2.gz IXJLSJXVJQNAET-OAHLLOKOSA-N 1 2 355.438 2.688 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCCC)CCCCC1 ZINC001111135468 1022052688 /nfs/dbraw/zinc/05/26/88/1022052688.db2.gz RFMVWLLCQOMARL-KURKYZTESA-N 1 2 361.530 2.761 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCCC)CCCCC1 ZINC001111135468 1022052695 /nfs/dbraw/zinc/05/26/95/1022052695.db2.gz RFMVWLLCQOMARL-KURKYZTESA-N 1 2 361.530 2.761 20 30 FFEDLO CC(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnc(Cl)s1)C2 ZINC001111735829 1022108148 /nfs/dbraw/zinc/10/81/48/1022108148.db2.gz QXLCNUIJFPNHGD-GUYCJALGSA-N 1 2 351.903 2.927 20 30 FFEDLO CC(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnc(Cl)s1)C2 ZINC001111735829 1022108153 /nfs/dbraw/zinc/10/81/53/1022108153.db2.gz QXLCNUIJFPNHGD-GUYCJALGSA-N 1 2 351.903 2.927 20 30 FFEDLO O=C(C(F)C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC2CC2)C1 ZINC001099254692 1022169976 /nfs/dbraw/zinc/16/99/76/1022169976.db2.gz TZUMELPEXWAMRJ-OPRDCNLKSA-N 1 2 350.278 2.666 20 30 FFEDLO O=C([C@@H](F)C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC2CC2)C1 ZINC001099254692 1022169991 /nfs/dbraw/zinc/16/99/91/1022169991.db2.gz TZUMELPEXWAMRJ-OPRDCNLKSA-N 1 2 350.278 2.666 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC001017758142 1022304169 /nfs/dbraw/zinc/30/41/69/1022304169.db2.gz OBRQDGVPTQCWOL-JSXRDJHFSA-N 1 2 351.494 2.555 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC001017758142 1022304184 /nfs/dbraw/zinc/30/41/84/1022304184.db2.gz OBRQDGVPTQCWOL-JSXRDJHFSA-N 1 2 351.494 2.555 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001038277644 1022650135 /nfs/dbraw/zinc/65/01/35/1022650135.db2.gz WUTHCOFVXORNAG-MCYKXBRJSA-N 1 2 365.477 2.860 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001038277644 1022650141 /nfs/dbraw/zinc/65/01/41/1022650141.db2.gz WUTHCOFVXORNAG-MCYKXBRJSA-N 1 2 365.477 2.860 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095757499 1022746734 /nfs/dbraw/zinc/74/67/34/1022746734.db2.gz MKFSDPJPZJLLPE-WMZOPIPTSA-N 1 2 358.486 2.586 20 30 FFEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](C[C@@H](O)c2cccc(F)c2)CC1 ZINC000780319162 1022854286 /nfs/dbraw/zinc/85/42/86/1022854286.db2.gz MPLTVXRRBAFLHA-WOJBJXKFSA-N 1 2 357.404 2.881 20 30 FFEDLO C=CC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2Nc2cc[nH+]c(C)n2)CC1 ZINC001040469462 1022869005 /nfs/dbraw/zinc/86/90/05/1022869005.db2.gz VZDXZZBIFSFKLQ-AEFFLSMTSA-N 1 2 358.486 2.805 20 30 FFEDLO CC(C)CC[C@](C)(O)CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000752721336 1023196514 /nfs/dbraw/zinc/19/65/14/1023196514.db2.gz DGKSGGOJZYKTPK-NRFANRHFSA-N 1 2 370.497 2.833 20 30 FFEDLO C=C(C)Cn1c([C@@H](OC)C2CC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001122475373 1023292833 /nfs/dbraw/zinc/29/28/33/1023292833.db2.gz BFRBSVANZILFMV-SFHVURJKSA-N 1 2 368.485 2.673 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000829366562 1033124337 /nfs/dbraw/zinc/12/43/37/1033124337.db2.gz OICQOTMQWZGXCB-FPOVZHCZSA-N 1 2 350.418 2.538 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000829366562 1033124343 /nfs/dbraw/zinc/12/43/43/1033124343.db2.gz OICQOTMQWZGXCB-FPOVZHCZSA-N 1 2 350.418 2.538 20 30 FFEDLO Cc1cc(F)ccc1C[N@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000753784862 1023379997 /nfs/dbraw/zinc/37/99/97/1023379997.db2.gz JBISTDHSGRYAQU-UHFFFAOYSA-N 1 2 350.397 3.000 20 30 FFEDLO Cc1cc(F)ccc1C[N@@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000753784862 1023380003 /nfs/dbraw/zinc/38/00/03/1023380003.db2.gz JBISTDHSGRYAQU-UHFFFAOYSA-N 1 2 350.397 3.000 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(N(C)C(C)C)nc2)c1 ZINC000191261005 1023787656 /nfs/dbraw/zinc/78/76/56/1023787656.db2.gz CYBPTMVZSCJYRX-UHFFFAOYSA-N 1 2 350.466 2.978 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(N(C)C(C)C)nc2)c1 ZINC000191261005 1023787663 /nfs/dbraw/zinc/78/76/63/1023787663.db2.gz CYBPTMVZSCJYRX-UHFFFAOYSA-N 1 2 350.466 2.978 20 30 FFEDLO C=CCn1c([C@H]2CCCCO2)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001121467553 1023793731 /nfs/dbraw/zinc/79/37/31/1023793731.db2.gz CYHKVCATJDWIJI-QGZVFWFLSA-N 1 2 368.485 2.729 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@H](CC)CC1 ZINC001121532732 1023832271 /nfs/dbraw/zinc/83/22/71/1023832271.db2.gz IJGAQJDZUWGENU-KRWDZBQOSA-N 1 2 361.534 2.685 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2c2ccccc2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001121607570 1023878031 /nfs/dbraw/zinc/87/80/31/1023878031.db2.gz OPPIRFXKXHHNSZ-UEXGIBASSA-N 1 2 367.497 2.717 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2c2ccccc2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121607570 1023878039 /nfs/dbraw/zinc/87/80/39/1023878039.db2.gz OPPIRFXKXHHNSZ-UEXGIBASSA-N 1 2 367.497 2.717 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)CCCCc1ccccc1 ZINC001121608173 1023878731 /nfs/dbraw/zinc/87/87/31/1023878731.db2.gz DKSBXCIQSKKILN-RBUKOAKNSA-N 1 2 369.513 2.661 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)CCCCc1ccccc1 ZINC001121608173 1023878736 /nfs/dbraw/zinc/87/87/36/1023878736.db2.gz DKSBXCIQSKKILN-RBUKOAKNSA-N 1 2 369.513 2.661 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nc(C(C)C)no3)C[C@@]2(C)C1 ZINC001101203070 1024083298 /nfs/dbraw/zinc/08/32/98/1024083298.db2.gz FKXZRWDTZOMSLG-UZLBHIALSA-N 1 2 358.486 2.667 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2C[N@H+](Cc3nc(C(C)C)no3)C[C@@]2(C)C1 ZINC001101203070 1024083317 /nfs/dbraw/zinc/08/33/17/1024083317.db2.gz FKXZRWDTZOMSLG-UZLBHIALSA-N 1 2 358.486 2.667 20 30 FFEDLO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1C[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@]2(C)C1 ZINC001101227813 1024134035 /nfs/dbraw/zinc/13/40/35/1024134035.db2.gz FTCALTBXNPFMIP-PXARDIRTSA-N 1 2 370.497 2.838 20 30 FFEDLO C[C@@H](c1nc(C2CC2)no1)[N@H+]1C[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@]2(C)C1 ZINC001101227813 1024134046 /nfs/dbraw/zinc/13/40/46/1024134046.db2.gz FTCALTBXNPFMIP-PXARDIRTSA-N 1 2 370.497 2.838 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3CCC)C[C@@]2(C)C1 ZINC001101248454 1024182403 /nfs/dbraw/zinc/18/24/03/1024182403.db2.gz CHFMEFVPQPPPOC-NQIIRXRSSA-N 1 2 371.529 2.737 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3CCC)C[C@@]2(C)C1 ZINC001101248454 1024182414 /nfs/dbraw/zinc/18/24/14/1024182414.db2.gz CHFMEFVPQPPPOC-NQIIRXRSSA-N 1 2 371.529 2.737 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C)s3)C[C@@]2(C)C1 ZINC001101248893 1024185056 /nfs/dbraw/zinc/18/50/56/1024185056.db2.gz YRVHTQMPISYSPR-APWZRJJASA-N 1 2 360.527 2.895 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C)s3)C[C@@]2(C)C1 ZINC001101248893 1024185065 /nfs/dbraw/zinc/18/50/65/1024185065.db2.gz YRVHTQMPISYSPR-APWZRJJASA-N 1 2 360.527 2.895 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nccn3C(F)F)C[C@@]2(C)C1 ZINC001101346772 1024512450 /nfs/dbraw/zinc/51/24/50/1024512450.db2.gz GRBYOJSLFUUDGX-KDOFPFPSSA-N 1 2 352.429 2.915 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nccn3C(F)F)C[C@@]2(C)C1 ZINC001101346772 1024512457 /nfs/dbraw/zinc/51/24/57/1024512457.db2.gz GRBYOJSLFUUDGX-KDOFPFPSSA-N 1 2 352.429 2.915 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nc(C5CC5)no4)C[C@@]3(C)C2)CC1 ZINC001101353994 1024529972 /nfs/dbraw/zinc/52/99/72/1024529972.db2.gz KEOXNWMGUDOBRN-UZLBHIALSA-N 1 2 370.497 2.974 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nc(C5CC5)no4)C[C@@]3(C)C2)CC1 ZINC001101353994 1024529983 /nfs/dbraw/zinc/52/99/83/1024529983.db2.gz KEOXNWMGUDOBRN-UZLBHIALSA-N 1 2 370.497 2.974 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4ncnn4C(C)C)C[C@@]3(C)C2)CCC1 ZINC001101354101 1024531274 /nfs/dbraw/zinc/53/12/74/1024531274.db2.gz QBNHVYYAUUFZLR-XLIONFOSSA-N 1 2 371.529 2.886 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4ncnn4C(C)C)C[C@@]3(C)C2)CCC1 ZINC001101354101 1024531280 /nfs/dbraw/zinc/53/12/80/1024531280.db2.gz QBNHVYYAUUFZLR-XLIONFOSSA-N 1 2 371.529 2.886 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](Cc2ccc3ncccc3c2)C1 ZINC000951781898 1024702611 /nfs/dbraw/zinc/70/26/11/1024702611.db2.gz PALWNHJDWDKHEU-CTNGQTDRSA-N 1 2 365.477 2.859 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C)o4)C[C@@]3(C)C2)CCCC1 ZINC001101495028 1024881920 /nfs/dbraw/zinc/88/19/20/1024881920.db2.gz QTTIUWKUNVHYQB-APWZRJJASA-N 1 2 358.486 2.795 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C)o4)C[C@@]3(C)C2)CCCC1 ZINC001101495028 1024881934 /nfs/dbraw/zinc/88/19/34/1024881934.db2.gz QTTIUWKUNVHYQB-APWZRJJASA-N 1 2 358.486 2.795 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC000952931280 1025200137 /nfs/dbraw/zinc/20/01/37/1025200137.db2.gz WFYQEJBOQWMTEG-ZOCZFRKYSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC000952931280 1025200147 /nfs/dbraw/zinc/20/01/47/1025200147.db2.gz WFYQEJBOQWMTEG-ZOCZFRKYSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](Cc2cccc(OC)c2)C1 ZINC000953830847 1025361912 /nfs/dbraw/zinc/36/19/12/1025361912.db2.gz JYLDVEYRPQHUFM-PMACEKPBSA-N 1 2 358.482 2.709 20 30 FFEDLO C#CC[N@@H+](CC(=O)N(C)Cc1cccc(OC)c1OC)Cc1ccccc1 ZINC000796638641 1025370866 /nfs/dbraw/zinc/37/08/66/1025370866.db2.gz CTPWSFVCPNJDLK-UHFFFAOYSA-N 1 2 366.461 2.798 20 30 FFEDLO C#CC[N@H+](CC(=O)N(C)Cc1cccc(OC)c1OC)Cc1ccccc1 ZINC000796638641 1025370878 /nfs/dbraw/zinc/37/08/78/1025370878.db2.gz CTPWSFVCPNJDLK-UHFFFAOYSA-N 1 2 366.461 2.798 20 30 FFEDLO C[C@@H]1C[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C[C@H](C)O1 ZINC000245607466 1025466651 /nfs/dbraw/zinc/46/66/51/1025466651.db2.gz NMOHJXDXNJFPSQ-BTTYYORXSA-N 1 2 354.454 2.602 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3sc(N)c(C#N)c3Cl)C[C@H]21 ZINC001141113525 1025474205 /nfs/dbraw/zinc/47/42/05/1025474205.db2.gz JCXNCQQSEFXMEC-GXSJLCMTSA-N 1 2 368.890 2.906 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3sc(N)c(C#N)c3Cl)C[C@H]21 ZINC001141113525 1025474212 /nfs/dbraw/zinc/47/42/12/1025474212.db2.gz JCXNCQQSEFXMEC-GXSJLCMTSA-N 1 2 368.890 2.906 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102391748 1025875758 /nfs/dbraw/zinc/87/57/58/1025875758.db2.gz BXAKLDBOGWNJHI-JQHSSLGASA-N 1 2 370.497 2.586 20 30 FFEDLO Cc1nnc([C@@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)[nH]1 ZINC000839660913 1026782313 /nfs/dbraw/zinc/78/23/13/1026782313.db2.gz ZQKDUMHIPAJHIQ-NVXWUHKLSA-N 1 2 366.469 2.546 20 30 FFEDLO Cc1nnc([C@@H]2CC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)[nH]1 ZINC000839660913 1026782321 /nfs/dbraw/zinc/78/23/21/1026782321.db2.gz ZQKDUMHIPAJHIQ-NVXWUHKLSA-N 1 2 366.469 2.546 20 30 FFEDLO Cc1n[nH]c([C@@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)n1 ZINC000839660913 1026782328 /nfs/dbraw/zinc/78/23/28/1026782328.db2.gz ZQKDUMHIPAJHIQ-NVXWUHKLSA-N 1 2 366.469 2.546 20 30 FFEDLO Cc1n[nH]c([C@@H]2CC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)n1 ZINC000839660913 1026782339 /nfs/dbraw/zinc/78/23/39/1026782339.db2.gz ZQKDUMHIPAJHIQ-NVXWUHKLSA-N 1 2 366.469 2.546 20 30 FFEDLO N#Cc1cc(C#N)c(N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)nc1Cl ZINC001158621434 1027076026 /nfs/dbraw/zinc/07/60/26/1027076026.db2.gz FSQMUDPKKQULKL-CYBMUJFWSA-N 1 2 351.788 2.788 20 30 FFEDLO COc1ccc(Cn2c[nH+]cc2CNc2ncc([N+](=O)[O-])cc2C#N)cc1 ZINC001161507358 1028205850 /nfs/dbraw/zinc/20/58/50/1028205850.db2.gz MZNWXZOWIFDGQR-UHFFFAOYSA-N 1 2 364.365 2.727 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2noc(CC(C)C)n2)C1 ZINC001104168053 1028630257 /nfs/dbraw/zinc/63/02/57/1028630257.db2.gz XYPGNRSRQWCVHO-IAGOWNOFSA-N 1 2 360.502 2.502 20 30 FFEDLO N#Cc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)nc1 ZINC000780652096 1028759016 /nfs/dbraw/zinc/75/90/16/1028759016.db2.gz VFWCKLZNLKQPBX-PMACEKPBSA-N 1 2 372.432 2.878 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1-c1ccccc1)C2 ZINC001111650092 1029047142 /nfs/dbraw/zinc/04/71/42/1029047142.db2.gz FEDWBUXSMLVAOE-UWJYYQICSA-N 1 2 365.481 2.704 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1-c1ccccc1)C2 ZINC001111650092 1029047153 /nfs/dbraw/zinc/04/71/53/1029047153.db2.gz FEDWBUXSMLVAOE-UWJYYQICSA-N 1 2 365.481 2.704 20 30 FFEDLO N#Cc1cc(Cl)nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC001163896658 1029108234 /nfs/dbraw/zinc/10/82/34/1029108234.db2.gz UPYKDPNUOMLGCW-UHFFFAOYSA-N 1 2 356.813 2.658 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(CCCC)no1)C2 ZINC001111730239 1029257707 /nfs/dbraw/zinc/25/77/07/1029257707.db2.gz BWRGWBLUUMZLKI-JXFKEZNVSA-N 1 2 358.486 2.686 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(CCCC)no1)C2 ZINC001111730239 1029257723 /nfs/dbraw/zinc/25/77/23/1029257723.db2.gz BWRGWBLUUMZLKI-JXFKEZNVSA-N 1 2 358.486 2.686 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(CC3CC3)nn1)C2 ZINC001111763734 1029379516 /nfs/dbraw/zinc/37/95/16/1029379516.db2.gz FFRJIMGJYCGERI-PXNSSMCTSA-N 1 2 357.502 2.515 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(CC3CC3)nn1)C2 ZINC001111763734 1029379524 /nfs/dbraw/zinc/37/95/24/1029379524.db2.gz FFRJIMGJYCGERI-PXNSSMCTSA-N 1 2 357.502 2.515 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C3CC3)n1C)C2 ZINC001111850144 1029614173 /nfs/dbraw/zinc/61/41/73/1029614173.db2.gz DBUQSDUEAVUCAE-WJPUGNRLSA-N 1 2 371.529 2.766 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C3CC3)n1C)C2 ZINC001111850144 1029614176 /nfs/dbraw/zinc/61/41/76/1029614176.db2.gz DBUQSDUEAVUCAE-WJPUGNRLSA-N 1 2 371.529 2.766 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)n1C1CC1)C2 ZINC001111855583 1029625940 /nfs/dbraw/zinc/62/59/40/1029625940.db2.gz CHEOKXSMXRAUAH-JXFKEZNVSA-N 1 2 357.502 2.748 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)n1C1CC1)C2 ZINC001111855583 1029625978 /nfs/dbraw/zinc/62/59/78/1029625978.db2.gz CHEOKXSMXRAUAH-JXFKEZNVSA-N 1 2 357.502 2.748 20 30 FFEDLO C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001112104643 1030015903 /nfs/dbraw/zinc/01/59/03/1030015903.db2.gz VOTZFPFSSVWPPC-OPRDCNLKSA-N 1 2 350.278 2.832 20 30 FFEDLO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001112104643 1030015920 /nfs/dbraw/zinc/01/59/20/1030015920.db2.gz VOTZFPFSSVWPPC-OPRDCNLKSA-N 1 2 350.278 2.832 20 30 FFEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1c1cc(Cl)cc(C#N)n1 ZINC001165652748 1030069937 /nfs/dbraw/zinc/06/99/37/1030069937.db2.gz PBJRETOWXLECNL-INIZCTEOSA-N 1 2 372.860 2.624 20 30 FFEDLO C=CCOc1cc(C)nc(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)n1 ZINC001165690547 1030085489 /nfs/dbraw/zinc/08/54/89/1030085489.db2.gz DUOCXLVKWIXNJY-KRWDZBQOSA-N 1 2 369.469 2.609 20 30 FFEDLO Cc1ccc(C#N)c(N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)n1 ZINC001165740412 1030105995 /nfs/dbraw/zinc/10/59/95/1030105995.db2.gz UQWSEEVLUWLUMX-INIZCTEOSA-N 1 2 360.421 2.569 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cnns2)C1 ZINC001112151999 1030106406 /nfs/dbraw/zinc/10/64/06/1030106406.db2.gz DXSSJCJQNXWBQF-CYZMBNFOSA-N 1 2 362.421 2.619 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3ccn(C)n3)C2)CC1 ZINC001112161707 1030121484 /nfs/dbraw/zinc/12/14/84/1030121484.db2.gz ZNXFEHGEWQULLL-HUUCEWRRSA-N 1 2 370.419 2.645 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nccn2C)C1 ZINC001112172562 1030144175 /nfs/dbraw/zinc/14/41/75/1030144175.db2.gz LNSGVPGUQYGWJI-CHWSQXEVSA-N 1 2 358.408 2.501 20 30 FFEDLO Cc1nc(N2CCN(c3nccnc3C#N)CC2)cc(C2CCCCC2)[nH+]1 ZINC001166920274 1030577119 /nfs/dbraw/zinc/57/71/19/1030577119.db2.gz WLOPDARPAPKLAH-UHFFFAOYSA-N 1 2 363.469 2.821 20 30 FFEDLO COC(=O)c1ccc(N[NH+]=C(C)c2ccc(N)c([N+](=O)[O-])c2)c(OC)c1 ZINC000799111043 1031652082 /nfs/dbraw/zinc/65/20/82/1031652082.db2.gz ADBYFYWPELOMFB-UHFFFAOYSA-N 1 2 358.354 2.808 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2ccnc3c(Br)cccc23)CC1 ZINC001151288325 1031908962 /nfs/dbraw/zinc/90/89/62/1031908962.db2.gz ZPQLCSRJAPDOMZ-UHFFFAOYSA-N 1 2 360.255 2.941 20 30 FFEDLO Cc1cc(C[NH+]2CC3(C2)COCC(=O)N3Cc2cccc(C#N)c2)cs1 ZINC001276865530 1033297145 /nfs/dbraw/zinc/29/71/45/1033297145.db2.gz IQAFHOXIMYNEBO-UHFFFAOYSA-N 1 2 367.474 2.542 20 30 FFEDLO CCC(CC)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218844909 1033372072 /nfs/dbraw/zinc/37/20/72/1033372072.db2.gz PCABZHKSGWUANL-ZWKOTPCHSA-N 1 2 361.511 2.858 20 30 FFEDLO CCC(CC)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218844909 1033372091 /nfs/dbraw/zinc/37/20/91/1033372091.db2.gz PCABZHKSGWUANL-ZWKOTPCHSA-N 1 2 361.511 2.858 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(CCC)no3)[C@H]2C1 ZINC001223309828 1033385051 /nfs/dbraw/zinc/38/50/51/1033385051.db2.gz PRWBOYOCFYMEFW-SJORKVTESA-N 1 2 358.486 2.639 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(CCC)no3)[C@H]2C1 ZINC001223309828 1033385056 /nfs/dbraw/zinc/38/50/56/1033385056.db2.gz PRWBOYOCFYMEFW-SJORKVTESA-N 1 2 358.486 2.639 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3CCC)[C@H]2C1 ZINC001223338043 1033401885 /nfs/dbraw/zinc/40/18/85/1033401885.db2.gz GXLCBNGJFDDBOM-KSZLIROESA-N 1 2 359.518 2.713 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3CCC)[C@H]2C1 ZINC001223338043 1033401887 /nfs/dbraw/zinc/40/18/87/1033401887.db2.gz GXLCBNGJFDDBOM-KSZLIROESA-N 1 2 359.518 2.713 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cccc(Br)c2)C[C@@H]1O ZINC001219335159 1033603287 /nfs/dbraw/zinc/60/32/87/1033603287.db2.gz SMTMIDRTLLPXEM-MAZHCROVSA-N 1 2 367.287 2.638 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cccc(Br)c2)C[C@@H]1O ZINC001219335159 1033603292 /nfs/dbraw/zinc/60/32/92/1033603292.db2.gz SMTMIDRTLLPXEM-MAZHCROVSA-N 1 2 367.287 2.638 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3nc4ccccn4n3)CC2)C1=O ZINC001276944894 1033709473 /nfs/dbraw/zinc/70/94/73/1033709473.db2.gz CJFKZAHHAIOWKN-FQEVSTJZSA-N 1 2 353.470 2.510 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3nc4ccccn4n3)CC2)C1=O ZINC001276944894 1033709479 /nfs/dbraw/zinc/70/94/79/1033709479.db2.gz CJFKZAHHAIOWKN-FQEVSTJZSA-N 1 2 353.470 2.510 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cc(F)ccc2F)C[C@@H]1O ZINC001219708904 1033779811 /nfs/dbraw/zinc/77/98/11/1033779811.db2.gz GZFARBADJGGTHX-VUCTXSBTSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cc(F)ccc2F)C[C@@H]1O ZINC001219708904 1033779824 /nfs/dbraw/zinc/77/98/24/1033779824.db2.gz GZFARBADJGGTHX-VUCTXSBTSA-N 1 2 352.425 2.789 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2csc(-c3ccc(O)cc3)n2)C1=O ZINC001276992689 1033983861 /nfs/dbraw/zinc/98/38/61/1033983861.db2.gz VFFZCIHTLDNJIN-HXUWFJFHSA-N 1 2 367.474 2.716 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2csc(-c3ccc(O)cc3)n2)C1=O ZINC001276992689 1033983871 /nfs/dbraw/zinc/98/38/71/1033983871.db2.gz VFFZCIHTLDNJIN-HXUWFJFHSA-N 1 2 367.474 2.716 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1O ZINC001220201478 1034042858 /nfs/dbraw/zinc/04/28/58/1034042858.db2.gz RFTBNYVFDHIEHN-BEVDRBHNSA-N 1 2 369.465 2.605 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1O ZINC001220201478 1034042871 /nfs/dbraw/zinc/04/28/71/1034042871.db2.gz RFTBNYVFDHIEHN-BEVDRBHNSA-N 1 2 369.465 2.605 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(Cl)c2)C[C@@H]1O ZINC001220205688 1034045867 /nfs/dbraw/zinc/04/58/67/1034045867.db2.gz JAHPBHBSTXTXIC-XKQJLSEDSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(Cl)c2)C[C@@H]1O ZINC001220205688 1034045882 /nfs/dbraw/zinc/04/58/82/1034045882.db2.gz JAHPBHBSTXTXIC-XKQJLSEDSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3sccc3Cl)C[C@@H]2O)CC1 ZINC001220282562 1034097904 /nfs/dbraw/zinc/09/79/04/1034097904.db2.gz LTSSHAYWVJABLH-KGLIPLIRSA-N 1 2 354.903 2.809 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3sccc3Cl)C[C@@H]2O)CC1 ZINC001220282562 1034097916 /nfs/dbraw/zinc/09/79/16/1034097916.db2.gz LTSSHAYWVJABLH-KGLIPLIRSA-N 1 2 354.903 2.809 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2Cl)C[C@@H]1O ZINC001220293803 1034104161 /nfs/dbraw/zinc/10/41/61/1034104161.db2.gz VJMZXOMFWXYWPS-ZRGWGRIASA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2Cl)C[C@@H]1O ZINC001220293803 1034104165 /nfs/dbraw/zinc/10/41/65/1034104165.db2.gz VJMZXOMFWXYWPS-ZRGWGRIASA-N 1 2 366.889 2.612 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3nc4ccccc4n3C)C2)CC1 ZINC001138376357 1034209907 /nfs/dbraw/zinc/20/99/07/1034209907.db2.gz PGMATHFZBBWVBJ-UHFFFAOYSA-N 1 2 354.454 2.794 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@@H]2O)CCCCC1 ZINC001220534998 1034240436 /nfs/dbraw/zinc/24/04/36/1034240436.db2.gz GBXGOGHCVAHGJG-UXHICEINSA-N 1 2 367.493 2.746 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@@H]2O)CCCCC1 ZINC001220534998 1034240445 /nfs/dbraw/zinc/24/04/45/1034240445.db2.gz GBXGOGHCVAHGJG-UXHICEINSA-N 1 2 367.493 2.746 20 30 FFEDLO Cc1cc(=O)c(C#N)c(O[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)[nH]1 ZINC001225470646 1034267294 /nfs/dbraw/zinc/26/72/94/1034267294.db2.gz XWIVSLVGUMUDRB-DNVCBOLYSA-N 1 2 353.422 2.636 20 30 FFEDLO Cc1cc(=O)c(C#N)c(O[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[nH]1 ZINC001225470646 1034267307 /nfs/dbraw/zinc/26/73/07/1034267307.db2.gz XWIVSLVGUMUDRB-DNVCBOLYSA-N 1 2 353.422 2.636 20 30 FFEDLO COc1ccnc(O[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1C#N ZINC001225565440 1034310247 /nfs/dbraw/zinc/31/02/47/1034310247.db2.gz ASMYYBJVULFLOM-DNVCBOLYSA-N 1 2 353.422 2.630 20 30 FFEDLO COc1ccnc(O[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1C#N ZINC001225565440 1034310263 /nfs/dbraw/zinc/31/02/63/1034310263.db2.gz ASMYYBJVULFLOM-DNVCBOLYSA-N 1 2 353.422 2.630 20 30 FFEDLO CC(=O)c1c(O)cc(O)cc1O[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001225679327 1034364707 /nfs/dbraw/zinc/36/47/07/1034364707.db2.gz NNIHKXHEFFLLPP-KRWDZBQOSA-N 1 2 352.390 2.825 20 30 FFEDLO CC(=O)c1c(O)cc(O)cc1O[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001225679327 1034364715 /nfs/dbraw/zinc/36/47/15/1034364715.db2.gz NNIHKXHEFFLLPP-KRWDZBQOSA-N 1 2 352.390 2.825 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cnccn2)C[C@@H]1O ZINC001220841241 1034423696 /nfs/dbraw/zinc/42/36/96/1034423696.db2.gz PFVPMAKQXHWDFC-QRQLOZEOSA-N 1 2 362.518 2.840 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cnccn2)C[C@@H]1O ZINC001220841241 1034423705 /nfs/dbraw/zinc/42/37/05/1034423705.db2.gz PFVPMAKQXHWDFC-QRQLOZEOSA-N 1 2 362.518 2.840 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCC[C@@]23CCN(Cc2cnoc2)C3=O)ccc1Cl ZINC001277083665 1034452918 /nfs/dbraw/zinc/45/29/18/1034452918.db2.gz NRCKEZDIZWQJCJ-IBGZPJMESA-N 1 2 370.840 2.967 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCC[C@@]23CCN(Cc2cnoc2)C3=O)ccc1Cl ZINC001277083665 1034452922 /nfs/dbraw/zinc/45/29/22/1034452922.db2.gz NRCKEZDIZWQJCJ-IBGZPJMESA-N 1 2 370.840 2.967 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221417864 1034728634 /nfs/dbraw/zinc/72/86/34/1034728634.db2.gz ZGZVXPKQUKVELR-BOUXLOLZSA-N 1 2 371.456 2.545 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221417864 1034728648 /nfs/dbraw/zinc/72/86/48/1034728648.db2.gz ZGZVXPKQUKVELR-BOUXLOLZSA-N 1 2 371.456 2.545 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221423567 1034738558 /nfs/dbraw/zinc/73/85/58/1034738558.db2.gz LRSLQTHDXQAGTJ-NSISKUIASA-N 1 2 353.466 2.572 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221423567 1034738568 /nfs/dbraw/zinc/73/85/68/1034738568.db2.gz LRSLQTHDXQAGTJ-NSISKUIASA-N 1 2 353.466 2.572 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccc(C)cc3C)C[C@H]21 ZINC001221425055 1034742381 /nfs/dbraw/zinc/74/23/81/1034742381.db2.gz XMBVPLCMVVMIMQ-IEBWSBKVSA-N 1 2 355.482 2.741 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccc(C)cc3C)C[C@H]21 ZINC001221425055 1034742393 /nfs/dbraw/zinc/74/23/93/1034742393.db2.gz XMBVPLCMVVMIMQ-IEBWSBKVSA-N 1 2 355.482 2.741 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)c(C)s3)C[C@H]21 ZINC001221468016 1034791431 /nfs/dbraw/zinc/79/14/31/1034791431.db2.gz CYQXAACDLJHLPD-IAGOWNOFSA-N 1 2 363.527 2.775 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)c(C)s3)C[C@H]21 ZINC001221468016 1034791445 /nfs/dbraw/zinc/79/14/45/1034791445.db2.gz CYQXAACDLJHLPD-IAGOWNOFSA-N 1 2 363.527 2.775 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[N@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC001221517512 1034835055 /nfs/dbraw/zinc/83/50/55/1034835055.db2.gz AYCFKEYLZBOCCE-VVFCZOMOSA-N 1 2 366.864 2.839 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC001221517512 1034835065 /nfs/dbraw/zinc/83/50/65/1034835065.db2.gz AYCFKEYLZBOCCE-VVFCZOMOSA-N 1 2 366.864 2.839 20 30 FFEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)cc3Cl)C[C@H]21 ZINC001221545158 1034863700 /nfs/dbraw/zinc/86/37/00/1034863700.db2.gz YXWOZDWDEZOJEC-CRAIPNDOSA-N 1 2 364.848 2.552 20 30 FFEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)cc3Cl)C[C@H]21 ZINC001221545158 1034863713 /nfs/dbraw/zinc/86/37/13/1034863713.db2.gz YXWOZDWDEZOJEC-CRAIPNDOSA-N 1 2 364.848 2.552 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)CCC)C[C@H]21 ZINC001221573811 1034887558 /nfs/dbraw/zinc/88/75/58/1034887558.db2.gz YHIAPWPCUJBVIV-NUEKZKHPSA-N 1 2 369.937 2.603 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@@H](C)CCC)C[C@H]21 ZINC001221573811 1034887569 /nfs/dbraw/zinc/88/75/69/1034887569.db2.gz YHIAPWPCUJBVIV-NUEKZKHPSA-N 1 2 369.937 2.603 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCN(c4ccccc4)C3=O)C[C@H]21 ZINC001221584820 1034896340 /nfs/dbraw/zinc/89/63/40/1034896340.db2.gz DWYZHNCSNNCVKL-MISYRCLQSA-N 1 2 367.493 2.681 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCN(c4ccccc4)C3=O)C[C@H]21 ZINC001221584820 1034896347 /nfs/dbraw/zinc/89/63/47/1034896347.db2.gz DWYZHNCSNNCVKL-MISYRCLQSA-N 1 2 367.493 2.681 20 30 FFEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H](C(=O)NC(C)C)C[C@H]21 ZINC001139032408 1034897996 /nfs/dbraw/zinc/89/79/96/1034897996.db2.gz MYDJWRNKILWWCX-NLWGTHIKSA-N 1 2 358.482 2.755 20 30 FFEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@@H](C(=O)NC(C)C)C[C@H]21 ZINC001139032408 1034898005 /nfs/dbraw/zinc/89/80/05/1034898005.db2.gz MYDJWRNKILWWCX-NLWGTHIKSA-N 1 2 358.482 2.755 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCCC(C)(C)C)C[C@H]21 ZINC001221760358 1035044627 /nfs/dbraw/zinc/04/46/27/1035044627.db2.gz DGCKMUXBSRIUGD-KZNAEPCWSA-N 1 2 363.546 2.674 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCCC(C)(C)C)C[C@H]21 ZINC001221760358 1035044635 /nfs/dbraw/zinc/04/46/35/1035044635.db2.gz DGCKMUXBSRIUGD-KZNAEPCWSA-N 1 2 363.546 2.674 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N[C@H](C)CCC)C[C@H]32)CC1 ZINC001221793495 1035075014 /nfs/dbraw/zinc/07/50/14/1035075014.db2.gz DTQWSXCPZSCXDA-BHIYHBOVSA-N 1 2 361.530 2.570 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@H+](CC(=O)N[C@H](C)CCC)C[C@H]32)CC1 ZINC001221793495 1035075018 /nfs/dbraw/zinc/07/50/18/1035075018.db2.gz DTQWSXCPZSCXDA-BHIYHBOVSA-N 1 2 361.530 2.570 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(OC)ns4)C[C@H]32)CC1 ZINC001221795368 1035075917 /nfs/dbraw/zinc/07/59/17/1035075917.db2.gz XEWXVFLNARYLNF-GDBMZVCRSA-N 1 2 361.511 2.931 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(OC)ns4)C[C@H]32)CC1 ZINC001221795368 1035075926 /nfs/dbraw/zinc/07/59/26/1035075926.db2.gz XEWXVFLNARYLNF-GDBMZVCRSA-N 1 2 361.511 2.931 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cnc(C)nc1C(F)(F)F ZINC001276400647 1035190779 /nfs/dbraw/zinc/19/07/79/1035190779.db2.gz FIXDYIJKYRSPMX-ZIAGYGMSSA-N 1 2 354.376 2.555 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnc(C)nc1C(F)(F)F ZINC001276400647 1035190781 /nfs/dbraw/zinc/19/07/81/1035190781.db2.gz FIXDYIJKYRSPMX-ZIAGYGMSSA-N 1 2 354.376 2.555 20 30 FFEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC2(CC1)CN(CC1CC1)C(=O)CO2 ZINC001139689139 1035198837 /nfs/dbraw/zinc/19/88/37/1035198837.db2.gz IZVQQSGBWORGGU-UHFFFAOYSA-N 1 2 373.884 2.815 20 30 FFEDLO C=CCn1cc(C[N@@H+]2Cc3c(cnn3CC3CC3)[C@@H](COCC)C2)cn1 ZINC001139770008 1035226703 /nfs/dbraw/zinc/22/67/03/1035226703.db2.gz YXGJVMUZVKKOKM-GOSISDBHSA-N 1 2 355.486 2.812 20 30 FFEDLO C=CCn1cc(C[N@H+]2Cc3c(cnn3CC3CC3)[C@@H](COCC)C2)cn1 ZINC001139770008 1035226706 /nfs/dbraw/zinc/22/67/06/1035226706.db2.gz YXGJVMUZVKKOKM-GOSISDBHSA-N 1 2 355.486 2.812 20 30 FFEDLO N#C[C@H]1CCC[N@@H+](Cc2sc(N3CCC(O)CC3)nc2Cl)CC1 ZINC001140208991 1035382729 /nfs/dbraw/zinc/38/27/29/1035382729.db2.gz RTTXQUFSJPFIRP-LBPRGKRZSA-N 1 2 354.907 2.883 20 30 FFEDLO N#C[C@H]1CCC[N@H+](Cc2sc(N3CCC(O)CC3)nc2Cl)CC1 ZINC001140208991 1035382733 /nfs/dbraw/zinc/38/27/33/1035382733.db2.gz RTTXQUFSJPFIRP-LBPRGKRZSA-N 1 2 354.907 2.883 20 30 FFEDLO COc1ccc(NC(=S)NN=C2CCCc3[nH+]c(N)ccc32)cc1OC ZINC000834924576 1035475888 /nfs/dbraw/zinc/47/58/88/1035475888.db2.gz CTLKVYBCAFCNKV-UHFFFAOYSA-N 1 2 371.466 2.708 20 30 FFEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1csc(NC(C)=O)n1)C2 ZINC001232284416 1035551089 /nfs/dbraw/zinc/55/10/89/1035551089.db2.gz MAMBMMJQBVJJSK-AEFFLSMTSA-N 1 2 365.499 2.675 20 30 FFEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1csc(NC(C)=O)n1)C2 ZINC001232284416 1035551101 /nfs/dbraw/zinc/55/11/01/1035551101.db2.gz MAMBMMJQBVJJSK-AEFFLSMTSA-N 1 2 365.499 2.675 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccnc(OCC)c1Cl ZINC001277213721 1035578797 /nfs/dbraw/zinc/57/87/97/1035578797.db2.gz OYAVZMOYEATSOC-LJQANCHMSA-N 1 2 361.873 2.724 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccnc(OCC)c1Cl ZINC001277213721 1035578800 /nfs/dbraw/zinc/57/88/00/1035578800.db2.gz OYAVZMOYEATSOC-LJQANCHMSA-N 1 2 361.873 2.724 20 30 FFEDLO C=CCN1CCN(C)C2(CC[NH+](Cc3ccc(C(F)(F)F)o3)CC2)C1=O ZINC001232442897 1035689402 /nfs/dbraw/zinc/68/94/02/1035689402.db2.gz WIWGNJHVRQXNKK-UHFFFAOYSA-N 1 2 371.403 2.593 20 30 FFEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cnc(Cl)c(F)c1)CC2 ZINC001277260454 1035865544 /nfs/dbraw/zinc/86/55/44/1035865544.db2.gz HDAMVLCFQWGOAF-AWEZNQCLSA-N 1 2 364.852 2.896 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CC2)Cc2ccccc2CNC3=O)c1 ZINC001232675526 1035931222 /nfs/dbraw/zinc/93/12/22/1035931222.db2.gz AYSGNNFQCNIUOR-UHFFFAOYSA-N 1 2 361.445 2.719 20 30 FFEDLO Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4cc(C#N)ccc4O)C[C@@H]3C2=O)c1 ZINC001232676634 1035931578 /nfs/dbraw/zinc/93/15/78/1035931578.db2.gz OWWQWBIFYHEVCE-PMACEKPBSA-N 1 2 361.445 2.663 20 30 FFEDLO Cc1cccc(CN2C[C@@H]3C[N@@H+](Cc4cc(C#N)ccc4O)C[C@@H]3C2=O)c1 ZINC001232676634 1035931590 /nfs/dbraw/zinc/93/15/90/1035931590.db2.gz OWWQWBIFYHEVCE-PMACEKPBSA-N 1 2 361.445 2.663 20 30 FFEDLO C[N@H+](CC(=O)c1cccc(O[C@H]2CCN(CC#N)C2)c1)Cc1ccccc1 ZINC001228103872 1035934979 /nfs/dbraw/zinc/93/49/79/1035934979.db2.gz NROPBQGXQHEFBO-NRFANRHFSA-N 1 2 363.461 2.978 20 30 FFEDLO C[N@@H+](CC(=O)c1cccc(O[C@H]2CCN(CC#N)C2)c1)Cc1ccccc1 ZINC001228103872 1035934992 /nfs/dbraw/zinc/93/49/92/1035934992.db2.gz NROPBQGXQHEFBO-NRFANRHFSA-N 1 2 363.461 2.978 20 30 FFEDLO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Br)c(C#N)c1 ZINC001232896172 1036137497 /nfs/dbraw/zinc/13/74/97/1036137497.db2.gz FBQHWNHDMGBJAL-KRWDZBQOSA-N 1 2 362.271 2.908 20 30 FFEDLO CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Br)c(C#N)c1 ZINC001232896172 1036137507 /nfs/dbraw/zinc/13/75/07/1036137507.db2.gz FBQHWNHDMGBJAL-KRWDZBQOSA-N 1 2 362.271 2.908 20 30 FFEDLO Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c(C#N)c1 ZINC001232968290 1036194619 /nfs/dbraw/zinc/19/46/19/1036194619.db2.gz GRRNTARWYSCBLA-QGZVFWFLSA-N 1 2 357.454 2.592 20 30 FFEDLO Cc1ccc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c(C#N)c1 ZINC001232968290 1036194626 /nfs/dbraw/zinc/19/46/26/1036194626.db2.gz GRRNTARWYSCBLA-QGZVFWFLSA-N 1 2 357.454 2.592 20 30 FFEDLO CCOC(=O)c1csc(N2CC[NH+](Cc3ccc(C#N)cc3C)CC2)n1 ZINC001233082446 1036334626 /nfs/dbraw/zinc/33/46/26/1036334626.db2.gz BZJNRYLQXCEZHO-UHFFFAOYSA-N 1 2 370.478 2.822 20 30 FFEDLO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c(F)c1C#N ZINC001233097751 1036341513 /nfs/dbraw/zinc/34/15/13/1036341513.db2.gz BDGYMAJYIURFAD-XOBRGWDASA-N 1 2 374.460 2.862 20 30 FFEDLO CN(C)c1ccc(C[N@H+]2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c(F)c1C#N ZINC001233097751 1036341531 /nfs/dbraw/zinc/34/15/31/1036341531.db2.gz BDGYMAJYIURFAD-XOBRGWDASA-N 1 2 374.460 2.862 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)Oc1ccccc1/C=N/N=C/c1ccccc1O ZINC001229297320 1036600797 /nfs/dbraw/zinc/60/07/97/1036600797.db2.gz LZRVACWPIRDTIM-ZBPQPQMESA-N 1 2 367.449 2.945 20 30 FFEDLO CC[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cn3cc(C#N)ccc3n2)C1=O ZINC001277377439 1036618230 /nfs/dbraw/zinc/61/82/30/1036618230.db2.gz JYSZYOANFDEHOC-MGPUTAFESA-N 1 2 351.454 2.571 20 30 FFEDLO CC[C@H](C)N1CC[C@]2(CCC[N@H+]2Cc2cn3cc(C#N)ccc3n2)C1=O ZINC001277377439 1036618235 /nfs/dbraw/zinc/61/82/35/1036618235.db2.gz JYSZYOANFDEHOC-MGPUTAFESA-N 1 2 351.454 2.571 20 30 FFEDLO COc1cc(/C=N/O)ccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233802054 1036770109 /nfs/dbraw/zinc/77/01/09/1036770109.db2.gz GHDOXFKTAXSVOW-AGKWGAAGSA-N 1 2 356.422 2.783 20 30 FFEDLO COc1cc(/C=N/O)ccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233802054 1036770122 /nfs/dbraw/zinc/77/01/22/1036770122.db2.gz GHDOXFKTAXSVOW-AGKWGAAGSA-N 1 2 356.422 2.783 20 30 FFEDLO CC[C@@H](Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N)C(=O)OC ZINC001229768648 1036881935 /nfs/dbraw/zinc/88/19/35/1036881935.db2.gz NVDMPVQDWSQSTM-MRXNPFEDSA-N 1 2 350.378 2.907 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(OC)c(Cl)c1O ZINC001277833284 1036932629 /nfs/dbraw/zinc/93/26/29/1036932629.db2.gz HDJHNFQREBGUIP-LJQANCHMSA-N 1 2 362.857 2.644 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(OC)c(Cl)c1O ZINC001277833284 1036932648 /nfs/dbraw/zinc/93/26/48/1036932648.db2.gz HDJHNFQREBGUIP-LJQANCHMSA-N 1 2 362.857 2.644 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ncccn2)C[C@H]1C ZINC001206966818 1036998252 /nfs/dbraw/zinc/99/82/52/1036998252.db2.gz XYHWPNOAKVCZNN-FGTMMUONSA-N 1 2 360.502 2.737 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ncccn2)C[C@H]1C ZINC001206966818 1036998263 /nfs/dbraw/zinc/99/82/63/1036998263.db2.gz XYHWPNOAKVCZNN-FGTMMUONSA-N 1 2 360.502 2.737 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCC1 ZINC001536691757 1070039433 /nfs/dbraw/zinc/03/94/33/1070039433.db2.gz SYUOAILMOOXFAS-BZUAXINKSA-N 1 2 358.486 2.517 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCC1 ZINC001536691757 1070039448 /nfs/dbraw/zinc/03/94/48/1070039448.db2.gz SYUOAILMOOXFAS-BZUAXINKSA-N 1 2 358.486 2.517 20 30 FFEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ncc(F)cc3F)C2)C1 ZINC001207094259 1037140625 /nfs/dbraw/zinc/14/06/25/1037140625.db2.gz SYAXSGDKBNJPHJ-GOSISDBHSA-N 1 2 351.397 2.970 20 30 FFEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3ncc(F)cc3F)C2)C1 ZINC001207094259 1037140629 /nfs/dbraw/zinc/14/06/29/1037140629.db2.gz SYAXSGDKBNJPHJ-GOSISDBHSA-N 1 2 351.397 2.970 20 30 FFEDLO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2cc(C#N)n(C)c2)cs1 ZINC001207105156 1037150690 /nfs/dbraw/zinc/15/06/90/1037150690.db2.gz QZRJQPBUPGBYFK-IPMKNSEASA-N 1 2 372.494 2.610 20 30 FFEDLO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2cc(C#N)n(C)c2)cs1 ZINC001207105156 1037150694 /nfs/dbraw/zinc/15/06/94/1037150694.db2.gz QZRJQPBUPGBYFK-IPMKNSEASA-N 1 2 372.494 2.610 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](Cc2cccnc2C)Cc2nnn(CC3CC3)c21 ZINC001207149100 1037196011 /nfs/dbraw/zinc/19/60/11/1037196011.db2.gz KCIUCDRBRUOLEX-GOSISDBHSA-N 1 2 353.470 2.694 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](Cc2cccnc2C)Cc2nnn(CC3CC3)c21 ZINC001207149100 1037196012 /nfs/dbraw/zinc/19/60/12/1037196012.db2.gz KCIUCDRBRUOLEX-GOSISDBHSA-N 1 2 353.470 2.694 20 30 FFEDLO CCOC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c[nH]1 ZINC001234951652 1037257354 /nfs/dbraw/zinc/25/73/54/1037257354.db2.gz WOYJKTVYBIOFHN-UHFFFAOYSA-N 1 2 356.401 2.524 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001207239688 1037275578 /nfs/dbraw/zinc/27/55/78/1037275578.db2.gz JHQHUAMXFMOCAR-DZGCQCFKSA-N 1 2 352.500 2.908 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001207239688 1037275595 /nfs/dbraw/zinc/27/55/95/1037275595.db2.gz JHQHUAMXFMOCAR-DZGCQCFKSA-N 1 2 352.500 2.908 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc4cccc(Br)c4o3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230841909 1037371715 /nfs/dbraw/zinc/37/17/15/1037371715.db2.gz PALZLIMMARDNDO-PEUDNIOHSA-N 1 2 351.200 2.582 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc4cccc(Br)c4o3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230841909 1037371734 /nfs/dbraw/zinc/37/17/34/1037371734.db2.gz PALZLIMMARDNDO-PEUDNIOHSA-N 1 2 351.200 2.582 20 30 FFEDLO C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC001207438560 1037441790 /nfs/dbraw/zinc/44/17/90/1037441790.db2.gz VMJHUHZXAQRQOV-RVKKMQEKSA-N 1 2 353.470 2.877 20 30 FFEDLO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC001207438560 1037441792 /nfs/dbraw/zinc/44/17/92/1037441792.db2.gz VMJHUHZXAQRQOV-RVKKMQEKSA-N 1 2 353.470 2.877 20 30 FFEDLO C=CC(=O)OC[C@@H](COC(=O)C(=C)C)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231081408 1037459740 /nfs/dbraw/zinc/45/97/40/1037459740.db2.gz KXEAEZJKFNRINZ-INIZCTEOSA-N 1 2 356.378 2.673 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cnc(Cl)s3)C[C@H]2C)CCC1 ZINC001207509809 1037507312 /nfs/dbraw/zinc/50/73/12/1037507312.db2.gz CEYBZYYSUIPMCQ-TZMCWYRMSA-N 1 2 351.903 2.927 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cnc(Cl)s3)C[C@H]2C)CCC1 ZINC001207509809 1037507324 /nfs/dbraw/zinc/50/73/24/1037507324.db2.gz CEYBZYYSUIPMCQ-TZMCWYRMSA-N 1 2 351.903 2.927 20 30 FFEDLO N#CCCCN1CC[C@@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001277507585 1037539306 /nfs/dbraw/zinc/53/93/06/1037539306.db2.gz RFWLYACKOKIPLM-GOSISDBHSA-N 1 2 365.836 2.913 20 30 FFEDLO N#CCCCN1CC[C@@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001277507585 1037539316 /nfs/dbraw/zinc/53/93/16/1037539316.db2.gz RFWLYACKOKIPLM-GOSISDBHSA-N 1 2 365.836 2.913 20 30 FFEDLO N#Cc1cc(F)c(C[N@@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)c(F)c1 ZINC001235654896 1037665493 /nfs/dbraw/zinc/66/54/93/1037665493.db2.gz RJFCYPOMKOZDAQ-QRWLVFNGSA-N 1 2 371.387 2.759 20 30 FFEDLO N#Cc1cc(F)c(C[N@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)c(F)c1 ZINC001235654896 1037665505 /nfs/dbraw/zinc/66/55/05/1037665505.db2.gz RJFCYPOMKOZDAQ-QRWLVFNGSA-N 1 2 371.387 2.759 20 30 FFEDLO CC(C)(C)Oc1ccc(C[NH+]2CCN(c3nccnc3C#N)CC2)cc1 ZINC001231804858 1037923903 /nfs/dbraw/zinc/92/39/03/1037923903.db2.gz JFHWDDORWNXXGO-UHFFFAOYSA-N 1 2 351.454 2.848 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001208317913 1038209736 /nfs/dbraw/zinc/20/97/36/1038209736.db2.gz BDHUNPBIRQWSHP-CKEIUWERSA-N 1 2 361.461 2.801 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001208317913 1038209753 /nfs/dbraw/zinc/20/97/53/1038209753.db2.gz BDHUNPBIRQWSHP-CKEIUWERSA-N 1 2 361.461 2.801 20 30 FFEDLO CC(=O)[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C)cc1C#N)CC2 ZINC001278005261 1038234788 /nfs/dbraw/zinc/23/47/88/1038234788.db2.gz FEUWERITJNQUFN-KXBFYZLASA-N 1 2 353.466 2.563 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)cc2C)C[C@H]1C ZINC001208376714 1038265191 /nfs/dbraw/zinc/26/51/91/1038265191.db2.gz PRGNKPXNZLKOHR-UYAOXDASSA-N 1 2 369.509 2.872 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)cc2C)C[C@H]1C ZINC001208376714 1038265196 /nfs/dbraw/zinc/26/51/96/1038265196.db2.gz PRGNKPXNZLKOHR-UYAOXDASSA-N 1 2 369.509 2.872 20 30 FFEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1Cc1ccc(CC)cc1O ZINC001236786381 1038269706 /nfs/dbraw/zinc/26/97/06/1038269706.db2.gz OQNTWORNHPFVBW-SFHVURJKSA-N 1 2 356.470 2.868 20 30 FFEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1Cc1ccc(CC)cc1O ZINC001236786381 1038269712 /nfs/dbraw/zinc/26/97/12/1038269712.db2.gz OQNTWORNHPFVBW-SFHVURJKSA-N 1 2 356.470 2.868 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001208389157 1038277152 /nfs/dbraw/zinc/27/71/52/1038277152.db2.gz ZONDDIADKOLSBN-HDMKZQKVSA-N 1 2 361.461 2.803 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001208389157 1038277158 /nfs/dbraw/zinc/27/71/58/1038277158.db2.gz ZONDDIADKOLSBN-HDMKZQKVSA-N 1 2 361.461 2.803 20 30 FFEDLO COc1c(F)ccc(F)c1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001276581907 1038512290 /nfs/dbraw/zinc/51/22/90/1038512290.db2.gz IMEZXWMPDBYKBU-IAGOWNOFSA-N 1 2 363.408 2.842 20 30 FFEDLO COc1c(F)ccc(F)c1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001276581907 1038512300 /nfs/dbraw/zinc/51/23/00/1038512300.db2.gz IMEZXWMPDBYKBU-IAGOWNOFSA-N 1 2 363.408 2.842 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)c2cccnc2)C1 ZINC001209166501 1038694312 /nfs/dbraw/zinc/69/43/12/1038694312.db2.gz HNRISFOUMOOESI-XJKCOSOUSA-N 1 2 366.303 2.920 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)c2cccnc2)C1 ZINC001209166501 1038694309 /nfs/dbraw/zinc/69/43/09/1038694309.db2.gz HNRISFOUMOOESI-XJKCOSOUSA-N 1 2 366.303 2.920 20 30 FFEDLO C=CCCCCCCCN1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001209441868 1038867774 /nfs/dbraw/zinc/86/77/74/1038867774.db2.gz NLPNBDCLMNAVCQ-UHFFFAOYSA-N 1 2 359.562 2.973 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+]([C@@H]3COc4ccc(Cl)cc4C3)CC2)c1 ZINC001257968642 1039090374 /nfs/dbraw/zinc/09/03/74/1039090374.db2.gz NOBVVFNKGSYPBD-KRWDZBQOSA-N 1 2 354.841 2.732 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)cc1 ZINC001210994188 1039889228 /nfs/dbraw/zinc/88/92/28/1039889228.db2.gz FTMVGXFDTAAQQR-RBUKOAKNSA-N 1 2 358.438 2.531 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)cc1 ZINC001210994188 1039889253 /nfs/dbraw/zinc/88/92/53/1039889253.db2.gz FTMVGXFDTAAQQR-RBUKOAKNSA-N 1 2 358.438 2.531 20 30 FFEDLO C=CCOc1ccc(-c2noc(C[C@H]([NH3+])C(=O)OC(C)(C)C)n2)c(F)c1 ZINC001247971479 1040084167 /nfs/dbraw/zinc/08/41/67/1040084167.db2.gz JCLOKNQYKXKJNS-AWEZNQCLSA-N 1 2 363.389 2.652 20 30 FFEDLO C=C[C@H](O)CNc1c[nH+]cc(F)c1N1CCC(C(=O)OC(C)(C)C)CC1 ZINC001253570738 1040244623 /nfs/dbraw/zinc/24/46/23/1040244623.db2.gz ATHNBXXTRJQDJL-AWEZNQCLSA-N 1 2 365.449 2.738 20 30 FFEDLO C[C@@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC001260041412 1040372899 /nfs/dbraw/zinc/37/28/99/1040372899.db2.gz DCDQFPQQLWDKCT-KRWDZBQOSA-N 1 2 369.490 2.767 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nsc3ccccc23)C[C@H]1OC ZINC001213357322 1040474450 /nfs/dbraw/zinc/47/44/50/1040474450.db2.gz OWHCDILJZSKDBD-IAGOWNOFSA-N 1 2 359.495 2.968 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2nsc3ccccc23)C[C@H]1OC ZINC001213357322 1040474455 /nfs/dbraw/zinc/47/44/55/1040474455.db2.gz OWHCDILJZSKDBD-IAGOWNOFSA-N 1 2 359.495 2.968 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1OC ZINC001213390288 1040505832 /nfs/dbraw/zinc/50/58/32/1040505832.db2.gz WMIWDWAPSBOAQS-ZHALLVOQSA-N 1 2 352.425 2.883 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1OC ZINC001213390288 1040505851 /nfs/dbraw/zinc/50/58/51/1040505851.db2.gz WMIWDWAPSBOAQS-ZHALLVOQSA-N 1 2 352.425 2.883 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)CCCC(C)C ZINC001213471702 1040581472 /nfs/dbraw/zinc/58/14/72/1040581472.db2.gz DWLYEJAOBSFENP-RTBURBONSA-N 1 2 361.461 2.839 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)CCCC(C)C ZINC001213471702 1040581477 /nfs/dbraw/zinc/58/14/77/1040581477.db2.gz DWLYEJAOBSFENP-RTBURBONSA-N 1 2 361.461 2.839 20 30 FFEDLO N#Cc1ncc(F)cc1Nc1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001213481696 1040594763 /nfs/dbraw/zinc/59/47/63/1040594763.db2.gz LMZQGBJTOHVLKR-UHFFFAOYSA-N 1 2 360.364 2.686 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)o3)C[C@H]2OC)CCCCC1 ZINC001213561514 1040673729 /nfs/dbraw/zinc/67/37/29/1040673729.db2.gz AVONDDIWFZYDDP-QZTJIDSGSA-N 1 2 361.486 2.825 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](Cc3cnc(C)o3)C[C@H]2OC)CCCCC1 ZINC001213561514 1040673736 /nfs/dbraw/zinc/67/37/36/1040673736.db2.gz AVONDDIWFZYDDP-QZTJIDSGSA-N 1 2 361.486 2.825 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)CCC(C)(C)C ZINC001213606334 1040712122 /nfs/dbraw/zinc/71/21/22/1040712122.db2.gz MGBCIJFCWIUNKY-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)CCC(C)(C)C ZINC001213606334 1040712140 /nfs/dbraw/zinc/71/21/40/1040712140.db2.gz MGBCIJFCWIUNKY-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)CCC1(C)CC1 ZINC001213666715 1040774828 /nfs/dbraw/zinc/77/48/28/1040774828.db2.gz GESZLPWXIYZOKS-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)CCC1(C)CC1 ZINC001213666715 1040774838 /nfs/dbraw/zinc/77/48/38/1040774838.db2.gz GESZLPWXIYZOKS-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)CCC1(C)CC1 ZINC001213666739 1040777854 /nfs/dbraw/zinc/77/78/54/1040777854.db2.gz HEAVZNAMPOQACC-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)CCC1(C)CC1 ZINC001213666739 1040777868 /nfs/dbraw/zinc/77/78/68/1040777868.db2.gz HEAVZNAMPOQACC-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO C=CCO[C@@H]1CCN(c2nc(N3CC[C@H](OCC=C)C3)[nH+]cc2C2CC2)C1 ZINC001254547858 1040791166 /nfs/dbraw/zinc/79/11/66/1040791166.db2.gz ZCVYZRWEIHVCGV-MSOLQXFVSA-N 1 2 370.497 2.917 20 30 FFEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)N[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC001255165285 1041179143 /nfs/dbraw/zinc/17/91/43/1041179143.db2.gz WKRQIMUINCKFRV-IIDMSEBBSA-N 1 2 366.465 2.953 20 30 FFEDLO N#Cc1c(F)cc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)cc1F ZINC001261550174 1041303088 /nfs/dbraw/zinc/30/30/88/1041303088.db2.gz QWUVSSFKALWBBX-LJQANCHMSA-N 1 2 370.403 2.902 20 30 FFEDLO N#Cc1c(F)cc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)cc1F ZINC001261550174 1041303103 /nfs/dbraw/zinc/30/31/03/1041303103.db2.gz QWUVSSFKALWBBX-LJQANCHMSA-N 1 2 370.403 2.902 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C(C)C)no2)C1)OCC ZINC001214752451 1041562364 /nfs/dbraw/zinc/56/23/64/1041562364.db2.gz IECYJSXCYRTAGX-BZUAXINKSA-N 1 2 364.490 2.501 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C(C)C)o2)C1)OCC ZINC001214752619 1041562407 /nfs/dbraw/zinc/56/24/07/1041562407.db2.gz OVCTYHXEICXFGO-OAGGEKHMSA-N 1 2 364.490 2.501 20 30 FFEDLO C=CCC[C@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001262655587 1041776906 /nfs/dbraw/zinc/77/69/06/1041776906.db2.gz SMBVYYSRBJJMBA-OALUTQOASA-N 1 2 372.513 2.975 20 30 FFEDLO C=CCC[C@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001262655587 1041776912 /nfs/dbraw/zinc/77/69/12/1041776912.db2.gz SMBVYYSRBJJMBA-OALUTQOASA-N 1 2 372.513 2.975 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC001215700816 1041863773 /nfs/dbraw/zinc/86/37/73/1041863773.db2.gz JJPJAZCKBAGYNE-SJLPKXTDSA-N 1 2 367.497 2.806 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(CCc1ccccc1)C1CC1 ZINC001262990758 1042014778 /nfs/dbraw/zinc/01/47/78/1042014778.db2.gz NJXWCCIGYQQLDA-UHFFFAOYSA-N 1 2 362.481 3.000 20 30 FFEDLO C=C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(CC)o2)C1)c1ccccc1 ZINC001216811802 1042131134 /nfs/dbraw/zinc/13/11/34/1042131134.db2.gz RIBXZGHLBYVQLK-SOLBZPMBSA-N 1 2 368.481 2.928 20 30 FFEDLO C=C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C)o2)C1)c1ccccc1 ZINC001216811292 1042131530 /nfs/dbraw/zinc/13/15/30/1042131530.db2.gz FCYJWKUEIQJLPN-UWWQBHOKSA-N 1 2 354.454 2.674 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](CC)CC[C@@H]2C)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001263285271 1042220534 /nfs/dbraw/zinc/22/05/34/1042220534.db2.gz BYRCFCHROXJEDB-CLWJZODNSA-N 1 2 361.534 2.781 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](CC)CC[C@@H]2C)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001263285271 1042220538 /nfs/dbraw/zinc/22/05/38/1042220538.db2.gz BYRCFCHROXJEDB-CLWJZODNSA-N 1 2 361.534 2.781 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@H](C#N)C2)n1C[C@@H]1CCCCO1 ZINC001263603764 1042397122 /nfs/dbraw/zinc/39/71/22/1042397122.db2.gz NSZMSCQZHQSBIZ-OKZBNKHCSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@H](C#N)C2)n1C[C@@H]1CCCCO1 ZINC001263603764 1042397128 /nfs/dbraw/zinc/39/71/28/1042397128.db2.gz NSZMSCQZHQSBIZ-OKZBNKHCSA-N 1 2 372.517 2.744 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2csc(C)n2)[C@@H]1CC ZINC001264046690 1042596766 /nfs/dbraw/zinc/59/67/66/1042596766.db2.gz NOXKYAVVGWGWMP-RRQGHBQHSA-N 1 2 351.516 2.902 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2csc(C)n2)[C@@H]1CC ZINC001264046690 1042596767 /nfs/dbraw/zinc/59/67/67/1042596767.db2.gz NOXKYAVVGWGWMP-RRQGHBQHSA-N 1 2 351.516 2.902 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)CCC(C)C)[C@H]2C)c1 ZINC001264130117 1042628272 /nfs/dbraw/zinc/62/82/72/1042628272.db2.gz CXFQLOFQCCOQRV-APWZRJJASA-N 1 2 355.482 2.622 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)CCC(C)C)[C@H]2C)c1 ZINC001264130117 1042628274 /nfs/dbraw/zinc/62/82/74/1042628274.db2.gz CXFQLOFQCCOQRV-APWZRJJASA-N 1 2 355.482 2.622 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2csc(-c3ncccn3)n2)[C@@H]1C ZINC001264156068 1042641863 /nfs/dbraw/zinc/64/18/63/1042641863.db2.gz KMEZYHGICWTFNW-HIFRSBDPSA-N 1 2 371.510 2.891 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2csc(-c3ncccn3)n2)[C@@H]1C ZINC001264156068 1042641867 /nfs/dbraw/zinc/64/18/67/1042641867.db2.gz KMEZYHGICWTFNW-HIFRSBDPSA-N 1 2 371.510 2.891 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1C)C(F)(F)F ZINC001264156014 1042642149 /nfs/dbraw/zinc/64/21/49/1042642149.db2.gz IWGIYLYOLOTGFM-RWSFTLGLSA-N 1 2 357.351 2.975 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1C)C(F)(F)F ZINC001264156014 1042642151 /nfs/dbraw/zinc/64/21/51/1042642151.db2.gz IWGIYLYOLOTGFM-RWSFTLGLSA-N 1 2 357.351 2.975 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2nnc(C)[nH]2)C[C@H]1c1ccccc1 ZINC001264445628 1042673522 /nfs/dbraw/zinc/67/35/22/1042673522.db2.gz OPADINICXFJWIM-ZWKOTPCHSA-N 1 2 353.470 2.554 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(C)[nH]2)C[C@H]1c1ccccc1 ZINC001264445628 1042673523 /nfs/dbraw/zinc/67/35/23/1042673523.db2.gz OPADINICXFJWIM-ZWKOTPCHSA-N 1 2 353.470 2.554 20 30 FFEDLO CCc1nc(C[NH2+]CCC[C@@H]2[C@H](C)CCCN2C(=O)C#CC2CC2)no1 ZINC001264572817 1042723731 /nfs/dbraw/zinc/72/37/31/1042723731.db2.gz NXLTWFDYPXHOAR-NVXWUHKLSA-N 1 2 358.486 2.542 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](OC)c2cccc(OC)c2)[C@H]1C ZINC001264712827 1042794589 /nfs/dbraw/zinc/79/45/89/1042794589.db2.gz MWAAZNLKOVUVEG-COXVUDFISA-N 1 2 352.862 2.714 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](OC)c2cccc(OC)c2)[C@H]1C ZINC001264712827 1042794593 /nfs/dbraw/zinc/79/45/93/1042794593.db2.gz MWAAZNLKOVUVEG-COXVUDFISA-N 1 2 352.862 2.714 20 30 FFEDLO COc1nc(Cl)ccc1C[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001237246308 1043073386 /nfs/dbraw/zinc/07/33/86/1043073386.db2.gz ZMRFIRZPASSWJD-UHFFFAOYSA-N 1 2 357.845 2.723 20 30 FFEDLO COc1nc(Cl)ccc1C[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001237246308 1043073395 /nfs/dbraw/zinc/07/33/95/1043073395.db2.gz ZMRFIRZPASSWJD-UHFFFAOYSA-N 1 2 357.845 2.723 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2cccc(Cl)c2O)C3)cc1C#N ZINC001279442056 1043117092 /nfs/dbraw/zinc/11/70/92/1043117092.db2.gz KMNATRAWJUPTOM-QAPCUYQASA-N 1 2 370.884 2.962 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cccc(Cl)c2O)C3)cc1C#N ZINC001279442056 1043117100 /nfs/dbraw/zinc/11/71/00/1043117100.db2.gz KMNATRAWJUPTOM-QAPCUYQASA-N 1 2 370.884 2.962 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)cc1Cl ZINC001279471056 1043154237 /nfs/dbraw/zinc/15/42/37/1043154237.db2.gz VKRBZRYSLYHAFC-MOPGFXCFSA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)cc1Cl ZINC001279471056 1043154239 /nfs/dbraw/zinc/15/42/39/1043154239.db2.gz VKRBZRYSLYHAFC-MOPGFXCFSA-N 1 2 356.857 2.625 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ccnc(C#N)c2)C2COC2)CC1 ZINC001237461882 1043180751 /nfs/dbraw/zinc/18/07/51/1043180751.db2.gz BLJUMKKOJNQLMT-UHFFFAOYSA-N 1 2 372.469 2.554 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ccnc(C#N)c2)C2COC2)CC1 ZINC001237461882 1043180755 /nfs/dbraw/zinc/18/07/55/1043180755.db2.gz BLJUMKKOJNQLMT-UHFFFAOYSA-N 1 2 372.469 2.554 20 30 FFEDLO N#Cc1cc(CN2CCc3onc(Cn4cc[nH+]c4)c3C2)c(F)cc1F ZINC001237523677 1043217209 /nfs/dbraw/zinc/21/72/09/1043217209.db2.gz BOZRTGCZJYYJEY-UHFFFAOYSA-N 1 2 355.348 2.628 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](Oc3ccc(C(N)=O)cc3)C2)c(F)cc1F ZINC001237536352 1043225342 /nfs/dbraw/zinc/22/53/42/1043225342.db2.gz JTMHAXWHGKBRJG-QGZVFWFLSA-N 1 2 371.387 2.979 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](Oc3ccc(C(N)=O)cc3)C2)c(F)cc1F ZINC001237536352 1043225350 /nfs/dbraw/zinc/22/53/50/1043225350.db2.gz JTMHAXWHGKBRJG-QGZVFWFLSA-N 1 2 371.387 2.979 20 30 FFEDLO N#Cc1ccc2nc(C[NH+]3CCC(Oc4ccc(F)cn4)CC3)cn2c1 ZINC001237608372 1043268290 /nfs/dbraw/zinc/26/82/90/1043268290.db2.gz FHGNDTOBGFNIMU-UHFFFAOYSA-N 1 2 351.385 2.783 20 30 FFEDLO C[C@@H]1CC[N@H+](Cc2cn3cc(C#N)ccc3n2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001237619012 1043274613 /nfs/dbraw/zinc/27/46/13/1043274613.db2.gz WGDGKHOPMRLIPU-PBHICJAKSA-N 1 2 369.469 2.941 20 30 FFEDLO C[C@@H]1CC[N@@H+](Cc2cn3cc(C#N)ccc3n2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001237619012 1043274621 /nfs/dbraw/zinc/27/46/21/1043274621.db2.gz WGDGKHOPMRLIPU-PBHICJAKSA-N 1 2 369.469 2.941 20 30 FFEDLO CCc1csc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C#N)n(C)c2)n1 ZINC001279608163 1043332040 /nfs/dbraw/zinc/33/20/40/1043332040.db2.gz TWJYJKYHDKHPOP-CALCHBBNSA-N 1 2 355.511 2.764 20 30 FFEDLO CCc1csc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C#N)n(C)c2)n1 ZINC001279608163 1043332052 /nfs/dbraw/zinc/33/20/52/1043332052.db2.gz TWJYJKYHDKHPOP-CALCHBBNSA-N 1 2 355.511 2.764 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCc3onc(C(=O)N4CC(CC#N)C4)c3C2)c1 ZINC001279732464 1043548544 /nfs/dbraw/zinc/54/85/44/1043548544.db2.gz YWGDGDAFNCLBHN-UHFFFAOYSA-N 1 2 350.422 2.527 20 30 FFEDLO Cc1cccc(C[N@H+]2CCc3onc(C(=O)N4CC(CC#N)C4)c3C2)c1 ZINC001279732464 1043548553 /nfs/dbraw/zinc/54/85/53/1043548553.db2.gz YWGDGDAFNCLBHN-UHFFFAOYSA-N 1 2 350.422 2.527 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCc3n[nH]c(C(=O)NC4(C#N)CCC4)c3C2)s1 ZINC001279778898 1043627256 /nfs/dbraw/zinc/62/72/56/1043627256.db2.gz DQEOVDMOBPBZKD-UHFFFAOYSA-N 1 2 355.467 2.514 20 30 FFEDLO Cc1ccc(C[N@H+]2CCc3n[nH]c(C(=O)NC4(C#N)CCC4)c3C2)s1 ZINC001279778898 1043627262 /nfs/dbraw/zinc/62/72/62/1043627262.db2.gz DQEOVDMOBPBZKD-UHFFFAOYSA-N 1 2 355.467 2.514 20 30 FFEDLO CCc1cc(C[NH+]2CC3(C[C@H]3C(=O)Nc3cc(C)ccc3C#N)C2)on1 ZINC001279930403 1043935699 /nfs/dbraw/zinc/93/56/99/1043935699.db2.gz VYHIBJYXNFRFPF-KRWDZBQOSA-N 1 2 350.422 2.878 20 30 FFEDLO CCN(C(=O)[C@H]1CC12C[NH+](Cc1sc(N)c(C#N)c1Cl)C2)C(C)C ZINC001280079210 1044180169 /nfs/dbraw/zinc/18/01/69/1044180169.db2.gz XBFXZSSMRSNCEO-GFCCVEGCSA-N 1 2 366.918 2.934 20 30 FFEDLO Cn1cc(C[N@@H+]2CCC23CN(c2ccc(C(F)(F)F)cn2)C3)cc1C#N ZINC001280087739 1044188704 /nfs/dbraw/zinc/18/87/04/1044188704.db2.gz IPNKYVAJJRNWGD-UHFFFAOYSA-N 1 2 361.371 2.775 20 30 FFEDLO Cn1cc(C[N@H+]2CCC23CN(c2ccc(C(F)(F)F)cn2)C3)cc1C#N ZINC001280087739 1044188706 /nfs/dbraw/zinc/18/87/06/1044188706.db2.gz IPNKYVAJJRNWGD-UHFFFAOYSA-N 1 2 361.371 2.775 20 30 FFEDLO COc1ccc(-c2ccc(OCC[NH+]3CCOCC3)cc2)nc1CC#N ZINC001240449989 1044346115 /nfs/dbraw/zinc/34/61/15/1044346115.db2.gz PKYSXJUCJPKZNH-UHFFFAOYSA-N 1 2 353.422 2.534 20 30 FFEDLO C#CCN(C)c1nnc(CC(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001539183120 1070581145 /nfs/dbraw/zinc/58/11/45/1070581145.db2.gz VEGXUGAVTGVJHY-UHFFFAOYSA-N 1 2 352.486 2.590 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(Br)c2)[C@@H]1C ZINC001316779074 1044584941 /nfs/dbraw/zinc/58/49/41/1044584941.db2.gz YGEBVJDSVBQQAA-HFAKWTLXSA-N 1 2 368.250 2.827 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(Br)c2)[C@@H]1C ZINC001316779074 1044584955 /nfs/dbraw/zinc/58/49/55/1044584955.db2.gz YGEBVJDSVBQQAA-HFAKWTLXSA-N 1 2 368.250 2.827 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)(C)C ZINC001281310677 1044867398 /nfs/dbraw/zinc/86/73/98/1044867398.db2.gz PTNXRHFFKOKKQD-IIAWOOMASA-N 1 2 360.502 2.763 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)(C)C ZINC001281310677 1044867421 /nfs/dbraw/zinc/86/74/21/1044867421.db2.gz PTNXRHFFKOKKQD-IIAWOOMASA-N 1 2 360.502 2.763 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C)C(C)C ZINC001316783288 1044954055 /nfs/dbraw/zinc/95/40/55/1044954055.db2.gz RMBUOAXTGPSUEU-MDASCCDHSA-N 1 2 361.461 2.837 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C)C(C)C ZINC001316783288 1044954060 /nfs/dbraw/zinc/95/40/60/1044954060.db2.gz RMBUOAXTGPSUEU-MDASCCDHSA-N 1 2 361.461 2.837 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)[C@@H]1C ZINC001316783579 1044954604 /nfs/dbraw/zinc/95/46/04/1044954604.db2.gz VRNRLFCENXPMSM-XNJGSVPQSA-N 1 2 352.837 2.596 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)[C@@H]1C ZINC001316783579 1044954620 /nfs/dbraw/zinc/95/46/20/1044954620.db2.gz VRNRLFCENXPMSM-XNJGSVPQSA-N 1 2 352.837 2.596 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2cccs2)[C@@H]1C ZINC001316789670 1044978770 /nfs/dbraw/zinc/97/87/70/1044978770.db2.gz COMUJWLOCYHVMG-INMHGKMJSA-N 1 2 363.527 2.546 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2cccs2)[C@@H]1C ZINC001316789670 1044978788 /nfs/dbraw/zinc/97/87/88/1044978788.db2.gz COMUJWLOCYHVMG-INMHGKMJSA-N 1 2 363.527 2.546 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ncc(-c2ccccc2C)o1 ZINC001317461150 1045097427 /nfs/dbraw/zinc/09/74/27/1045097427.db2.gz IVRHXDCQCXUZTC-MSOLQXFVSA-N 1 2 369.465 2.789 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](C)Cc1ncc(-c2ccccc2C)o1 ZINC001317461150 1045097442 /nfs/dbraw/zinc/09/74/42/1045097442.db2.gz IVRHXDCQCXUZTC-MSOLQXFVSA-N 1 2 369.465 2.789 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2CC2)CC1 ZINC001539431225 1070637063 /nfs/dbraw/zinc/63/70/63/1070637063.db2.gz RJYZLUSWEWZXCW-FQEVSTJZSA-N 1 2 363.509 2.985 20 30 FFEDLO C=C[C@@H](COC)NC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001320295003 1045384862 /nfs/dbraw/zinc/38/48/62/1045384862.db2.gz SVNOLHBIKRBPMP-HOTGVXAUSA-N 1 2 369.868 2.944 20 30 FFEDLO C=C[C@@H](COC)NC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001320295003 1045384866 /nfs/dbraw/zinc/38/48/66/1045384866.db2.gz SVNOLHBIKRBPMP-HOTGVXAUSA-N 1 2 369.868 2.944 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)n1cc[nH+]c1 ZINC001320633390 1045440256 /nfs/dbraw/zinc/44/02/56/1045440256.db2.gz LZSRVKWXSOBPEP-AWEZNQCLSA-N 1 2 351.410 2.666 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001282316592 1045494685 /nfs/dbraw/zinc/49/46/85/1045494685.db2.gz CELDIZDUIJGBKT-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001282316592 1045494689 /nfs/dbraw/zinc/49/46/89/1045494689.db2.gz CELDIZDUIJGBKT-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000644385733 1045668071 /nfs/dbraw/zinc/66/80/71/1045668071.db2.gz BQEHTWLQXAZPQJ-BBWFWOEESA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000644385733 1045668074 /nfs/dbraw/zinc/66/80/74/1045668074.db2.gz BQEHTWLQXAZPQJ-BBWFWOEESA-N 1 2 361.486 2.812 20 30 FFEDLO C=CCO[C@H]1CCN(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC001323758158 1045715023 /nfs/dbraw/zinc/71/50/23/1045715023.db2.gz VZEYWIOXMYUHOK-LPHOPBHVSA-N 1 2 359.470 2.889 20 30 FFEDLO C=C(Br)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001324961134 1046309324 /nfs/dbraw/zinc/30/93/24/1046309324.db2.gz NWQNXPKPHZOMAZ-PNBKFKSVSA-N 1 2 371.319 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001324961134 1046309340 /nfs/dbraw/zinc/30/93/40/1046309340.db2.gz NWQNXPKPHZOMAZ-PNBKFKSVSA-N 1 2 371.319 2.681 20 30 FFEDLO C[C@H](C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)n1cc[nH+]c1 ZINC001324969104 1046313971 /nfs/dbraw/zinc/31/39/71/1046313971.db2.gz ZHOGOWYEMJNUMS-PBHICJAKSA-N 1 2 357.845 2.507 20 30 FFEDLO C[C@H](C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)n1cc[nH+]c1 ZINC001324969117 1046314138 /nfs/dbraw/zinc/31/41/38/1046314138.db2.gz ZHOGOWYEMJNUMS-RHSMWYFYSA-N 1 2 357.845 2.507 20 30 FFEDLO C=CCN(CC=C)c1nnc(C2CCCC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001540167411 1070777343 /nfs/dbraw/zinc/77/73/43/1070777343.db2.gz ABYIAUZNYAXLFO-KRWDZBQOSA-N 1 2 359.518 2.835 20 30 FFEDLO C=CCN(CC=C)c1nnc(C2CCCC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001540167411 1070777351 /nfs/dbraw/zinc/77/73/51/1070777351.db2.gz ABYIAUZNYAXLFO-KRWDZBQOSA-N 1 2 359.518 2.835 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001325873642 1046670745 /nfs/dbraw/zinc/67/07/45/1046670745.db2.gz GLRAYJWYQJUHRF-YQVWRLOYSA-N 1 2 366.864 2.625 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001325873642 1046670747 /nfs/dbraw/zinc/67/07/47/1046670747.db2.gz GLRAYJWYQJUHRF-YQVWRLOYSA-N 1 2 366.864 2.625 20 30 FFEDLO C=C1CCN(c2nnc(C3CCCC3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001286646148 1047147513 /nfs/dbraw/zinc/14/75/13/1047147513.db2.gz LSTIGLBCWADYRG-QGZVFWFLSA-N 1 2 359.518 2.813 20 30 FFEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001327212114 1047235873 /nfs/dbraw/zinc/23/58/73/1047235873.db2.gz BJNPEIYCQGSEQW-JKSUJKDBSA-N 1 2 366.303 2.874 20 30 FFEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001327212114 1047235885 /nfs/dbraw/zinc/23/58/85/1047235885.db2.gz BJNPEIYCQGSEQW-JKSUJKDBSA-N 1 2 366.303 2.874 20 30 FFEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)[C@H](CC#N)c2ccccc2)CC1 ZINC001287918213 1047372911 /nfs/dbraw/zinc/37/29/11/1047372911.db2.gz XRBMCZVLOALLMA-GOSISDBHSA-N 1 2 371.481 2.606 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001289926364 1047798065 /nfs/dbraw/zinc/79/80/65/1047798065.db2.gz LLWBXQUQVZMWHJ-BZUAXINKSA-N 1 2 358.486 2.730 20 30 FFEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]N[C@H]1CCCSC1 ZINC001331364788 1047893106 /nfs/dbraw/zinc/89/31/06/1047893106.db2.gz QLRXQHXQIGZWDU-ZDUSSCGKSA-N 1 2 365.462 2.780 20 30 FFEDLO C[C@]12CCCC[C@H]1C[N@@H+]2CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC001331672335 1048052617 /nfs/dbraw/zinc/05/26/17/1048052617.db2.gz HDORJYYMCSHEOC-AGKSTNPPSA-N 1 2 350.422 2.776 20 30 FFEDLO C[C@]12CCCC[C@H]1C[N@H+]2CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC001331672335 1048052634 /nfs/dbraw/zinc/05/26/34/1048052634.db2.gz HDORJYYMCSHEOC-AGKSTNPPSA-N 1 2 350.422 2.776 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1C ZINC001290700345 1048320692 /nfs/dbraw/zinc/32/06/92/1048320692.db2.gz HBCXCBYPMOQSOO-OAGGEKHMSA-N 1 2 354.454 2.656 20 30 FFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2nc(Cl)c(C#N)s2)C1 ZINC001334075747 1049234637 /nfs/dbraw/zinc/23/46/37/1049234637.db2.gz DSVZLGHAKPTNNK-SNVBAGLBSA-N 1 2 364.862 2.888 20 30 FFEDLO CCc1nnc(N(C)C[C@H](C)C#N)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001292819744 1049404885 /nfs/dbraw/zinc/40/48/85/1049404885.db2.gz MVEIYVIBUJHROC-MRXNPFEDSA-N 1 2 363.469 2.729 20 30 FFEDLO C=CCC[C@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1)c1ccccc1 ZINC001295429587 1049927028 /nfs/dbraw/zinc/92/70/28/1049927028.db2.gz LFMJKULLCHPWEM-RBUKOAKNSA-N 1 2 356.466 2.633 20 30 FFEDLO C[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(F)(F)C(F)F)C1)C(F)(F)F ZINC001316658793 1049965625 /nfs/dbraw/zinc/96/56/25/1049965625.db2.gz QEHZPJFSJDGKOH-HRDYMLBCSA-N 1 2 352.294 2.960 20 30 FFEDLO C=CCn1c([C@H](O)C=C)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001339836152 1050255751 /nfs/dbraw/zinc/25/57/51/1050255751.db2.gz DNKFWKIWJMOLCQ-QGZVFWFLSA-N 1 2 373.888 2.659 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H](OC2CCC2)C1 ZINC001341868837 1050476703 /nfs/dbraw/zinc/47/67/03/1050476703.db2.gz RQSVROWIWYQDPC-QGZVFWFLSA-N 1 2 370.501 2.716 20 30 FFEDLO C=CCn1c(-c2ccc(C[NH+]3CCOCC3)cn2)nnc1N(CC)C(C)C ZINC001340240998 1050647674 /nfs/dbraw/zinc/64/76/74/1050647674.db2.gz FCYQFWCQXUGIFU-UHFFFAOYSA-N 1 2 370.501 2.593 20 30 FFEDLO C=CCn1c(-c2nccs2)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001342084613 1050680106 /nfs/dbraw/zinc/68/01/06/1050680106.db2.gz DYLKLDUDMUKVRQ-UHFFFAOYSA-N 1 2 367.482 2.611 20 30 FFEDLO C#C[C@]1(C)CCCN1c1nnc(C2CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001300800970 1050748397 /nfs/dbraw/zinc/74/83/97/1050748397.db2.gz DXVHZHYIXHHHFH-HXUWFJFHSA-N 1 2 350.470 2.657 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@H](CC(F)(F)F)C1 ZINC001340389240 1050782581 /nfs/dbraw/zinc/78/25/81/1050782581.db2.gz FIKHUMWNMYZVKM-ZIAGYGMSSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@H](CC(F)(F)F)C1 ZINC001340389240 1050782595 /nfs/dbraw/zinc/78/25/95/1050782595.db2.gz FIKHUMWNMYZVKM-ZIAGYGMSSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1ncc(Cl)n1C ZINC001340389538 1050784354 /nfs/dbraw/zinc/78/43/54/1050784354.db2.gz GXLQAZWAUMWTDO-ZDUSSCGKSA-N 1 2 363.897 2.644 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)Cc1ncc(Cl)n1C ZINC001340389538 1050784367 /nfs/dbraw/zinc/78/43/67/1050784367.db2.gz GXLQAZWAUMWTDO-ZDUSSCGKSA-N 1 2 363.897 2.644 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001340389750 1050784656 /nfs/dbraw/zinc/78/46/56/1050784656.db2.gz JVUCNASTXJIUMC-WMZOPIPTSA-N 1 2 369.517 2.868 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001340389750 1050784663 /nfs/dbraw/zinc/78/46/63/1050784663.db2.gz JVUCNASTXJIUMC-WMZOPIPTSA-N 1 2 369.517 2.868 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)CCCF ZINC001342242662 1050833238 /nfs/dbraw/zinc/83/32/38/1050833238.db2.gz RWVLLEBXNLLQNJ-HOTGVXAUSA-N 1 2 351.470 2.576 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)CCCF ZINC001342242662 1050833251 /nfs/dbraw/zinc/83/32/51/1050833251.db2.gz RWVLLEBXNLLQNJ-HOTGVXAUSA-N 1 2 351.470 2.576 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(CC)[C@@H]1CCCOC1 ZINC001342306128 1050901445 /nfs/dbraw/zinc/90/14/45/1050901445.db2.gz LAMKRVPUTRJJPR-GOSISDBHSA-N 1 2 372.517 2.562 20 30 FFEDLO C=C(C)Cn1c(N2CCCC3(CC3)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001342521441 1051124908 /nfs/dbraw/zinc/12/49/08/1051124908.db2.gz GDWBYBQQRCEING-QFBILLFUSA-N 1 2 359.518 2.536 20 30 FFEDLO C=C(C)Cn1c(N2CCCC3(CC3)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001342521441 1051124911 /nfs/dbraw/zinc/12/49/11/1051124911.db2.gz GDWBYBQQRCEING-QFBILLFUSA-N 1 2 359.518 2.536 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C(C)(C)C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001342523084 1051126436 /nfs/dbraw/zinc/12/64/36/1051126436.db2.gz PDWAUQZHIHPTGF-TWOQFEAHSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C(C)(C)C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001342523084 1051126445 /nfs/dbraw/zinc/12/64/45/1051126445.db2.gz PDWAUQZHIHPTGF-TWOQFEAHSA-N 1 2 361.534 2.638 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC([C@H]3c4ccccc4NC3=O)CC2)cc1 ZINC001340785145 1051132306 /nfs/dbraw/zinc/13/23/06/1051132306.db2.gz FFZRAAQTAMMKNJ-PMACEKPBSA-N 1 2 374.444 2.533 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001342567139 1051173460 /nfs/dbraw/zinc/17/34/60/1051173460.db2.gz JTGMVTONNDDSDA-VQIMIIECSA-N 1 2 366.465 2.805 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CC[N@@H+]1Cc1nnc(-c2ccccc2)o1 ZINC001316731137 1051455769 /nfs/dbraw/zinc/45/57/69/1051455769.db2.gz VMPPGWHXLKPNNP-ZWKOTPCHSA-N 1 2 366.465 2.865 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CC[N@H+]1Cc1nnc(-c2ccccc2)o1 ZINC001316731137 1051455776 /nfs/dbraw/zinc/45/57/76/1051455776.db2.gz VMPPGWHXLKPNNP-ZWKOTPCHSA-N 1 2 366.465 2.865 20 30 FFEDLO Cn1c(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)nnc1C(C)(C)C#N ZINC001341256099 1051615042 /nfs/dbraw/zinc/61/50/42/1051615042.db2.gz UKSBABXWWMAWOO-UHFFFAOYSA-N 1 2 358.877 2.592 20 30 FFEDLO N#C[C@H](C(=O)c1ccc(-n2cc[nH+]c2)cc1)c1nc(N)c2ccccc2n1 ZINC001343355429 1052180301 /nfs/dbraw/zinc/18/03/01/1052180301.db2.gz QSTLXGYQYUBYMY-MRXNPFEDSA-N 1 2 354.373 2.888 20 30 FFEDLO C=CCCCC(=O)N1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC001345077871 1052243123 /nfs/dbraw/zinc/24/31/23/1052243123.db2.gz HLIFBYSIWCWZMU-WBVHZDCISA-N 1 2 366.465 2.840 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@@H](C)C[C@H]1CC ZINC001343580990 1052318915 /nfs/dbraw/zinc/31/89/15/1052318915.db2.gz KZYCRVNPJGAENU-FUHWJXTLSA-N 1 2 361.534 2.683 20 30 FFEDLO COC(=O)C1([C@@]2(O)CCC[N@H+](CC#Cc3ccccc3Cl)C2)CCC1 ZINC001308108362 1052408467 /nfs/dbraw/zinc/40/84/67/1052408467.db2.gz CDYLVSGDOFLNFQ-HXUWFJFHSA-N 1 2 361.869 2.862 20 30 FFEDLO COC(=O)C1([C@@]2(O)CCC[N@@H+](CC#Cc3ccccc3Cl)C2)CCC1 ZINC001308108362 1052408471 /nfs/dbraw/zinc/40/84/71/1052408471.db2.gz CDYLVSGDOFLNFQ-HXUWFJFHSA-N 1 2 361.869 2.862 20 30 FFEDLO CN(CCOc1ccccc1F)C(=O)C[N@H+](C)Cc1cc(C#N)cs1 ZINC001308111986 1052409532 /nfs/dbraw/zinc/40/95/32/1052409532.db2.gz BYYZWWDBSBJNJT-UHFFFAOYSA-N 1 2 361.442 2.728 20 30 FFEDLO CN(CCOc1ccccc1F)C(=O)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC001308111986 1052409535 /nfs/dbraw/zinc/40/95/35/1052409535.db2.gz BYYZWWDBSBJNJT-UHFFFAOYSA-N 1 2 361.442 2.728 20 30 FFEDLO C[C@H](C#N)CN(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1C[C@@H]1CCCCO1 ZINC001345583643 1052523047 /nfs/dbraw/zinc/52/30/47/1052523047.db2.gz UHTMWUMZTZBWGT-IXDOHACOSA-N 1 2 360.506 2.600 20 30 FFEDLO C[C@H](C#N)CN(C)c1nnc([C@H]2CCCC[N@H+]2C)n1C[C@@H]1CCCCO1 ZINC001345583643 1052523051 /nfs/dbraw/zinc/52/30/51/1052523051.db2.gz UHTMWUMZTZBWGT-IXDOHACOSA-N 1 2 360.506 2.600 20 30 FFEDLO C=CCCc1ccc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC001309323478 1052599003 /nfs/dbraw/zinc/59/90/03/1052599003.db2.gz RTFLUCFUIILKAH-KRWDZBQOSA-N 1 2 357.479 2.757 20 30 FFEDLO C=C(C)Cn1c(N2CC[NH+](Cc3ccccn3)CC2)nnc1C(C)(F)F ZINC001345924618 1052673013 /nfs/dbraw/zinc/67/30/13/1052673013.db2.gz VGRPGNCHCVKXMM-UHFFFAOYSA-N 1 2 362.428 2.683 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001344294293 1052691498 /nfs/dbraw/zinc/69/14/98/1052691498.db2.gz GREDYNLIDQVCHT-LSDHHAIUSA-N 1 2 354.454 2.561 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001345994377 1052699188 /nfs/dbraw/zinc/69/91/88/1052699188.db2.gz PYAYYRYDCYDCGJ-OAHLLOKOSA-N 1 2 352.442 2.765 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@H](CC#N)C2)n1C[C@H]1CCOC1 ZINC001346608812 1053153891 /nfs/dbraw/zinc/15/38/91/1053153891.db2.gz NGZAQSULFJBROS-RCCFBDPRSA-N 1 2 372.517 2.601 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@H](CC#N)C2)n1C[C@H]1CCOC1 ZINC001346608812 1053153898 /nfs/dbraw/zinc/15/38/98/1053153898.db2.gz NGZAQSULFJBROS-RCCFBDPRSA-N 1 2 372.517 2.601 20 30 FFEDLO C=CCN(CC=C)c1nnc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC(=C)C ZINC001346647601 1053182875 /nfs/dbraw/zinc/18/28/75/1053182875.db2.gz VYTNUKYGRDQBBR-QZTJIDSGSA-N 1 2 357.502 2.958 20 30 FFEDLO C=CCN(CC=C)c1nnc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC(=C)C ZINC001346647601 1053182877 /nfs/dbraw/zinc/18/28/77/1053182877.db2.gz VYTNUKYGRDQBBR-QZTJIDSGSA-N 1 2 357.502 2.958 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)[C@@H]1CC1(Cl)Cl ZINC001346719733 1053256429 /nfs/dbraw/zinc/25/64/29/1053256429.db2.gz DUVDMIQTDQJDBG-AWEZNQCLSA-N 1 2 374.289 2.669 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H](C)CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001336340220 1053935984 /nfs/dbraw/zinc/93/59/84/1053935984.db2.gz YZPHAKAHIOMKJN-USXIJHARSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H](C)CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001336340220 1053935996 /nfs/dbraw/zinc/93/59/96/1053935996.db2.gz YZPHAKAHIOMKJN-USXIJHARSA-N 1 2 358.486 2.661 20 30 FFEDLO COc1nc(Cl)c(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1C ZINC001337026126 1054418814 /nfs/dbraw/zinc/41/88/14/1054418814.db2.gz MTGURTRRYVPFNV-UHFFFAOYSA-N 1 2 359.861 2.666 20 30 FFEDLO COc1nc(Cl)c(C[N@H+]2CCCN(c3ccccc3C#N)CC2)n1C ZINC001337026126 1054418821 /nfs/dbraw/zinc/41/88/21/1054418821.db2.gz MTGURTRRYVPFNV-UHFFFAOYSA-N 1 2 359.861 2.666 20 30 FFEDLO C#CCOc1ccc(CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001348070263 1054617357 /nfs/dbraw/zinc/61/73/57/1054617357.db2.gz BEQQXIHYCMNHLX-GOSISDBHSA-N 1 2 366.465 2.596 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1 ZINC001337649423 1054919322 /nfs/dbraw/zinc/91/93/22/1054919322.db2.gz IXLIFEUGNFABHO-MRXNPFEDSA-N 1 2 369.465 2.561 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1 ZINC001337649423 1054919335 /nfs/dbraw/zinc/91/93/35/1054919335.db2.gz IXLIFEUGNFABHO-MRXNPFEDSA-N 1 2 369.465 2.561 20 30 FFEDLO C=C(C)c1cccc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC001337764953 1055001322 /nfs/dbraw/zinc/00/13/22/1055001322.db2.gz SGKGXWCRFTXPNL-UHFFFAOYSA-N 1 2 364.449 2.970 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC=C)C1 ZINC001351949644 1055082779 /nfs/dbraw/zinc/08/27/79/1055082779.db2.gz PJSXAUCWENAURP-GOSISDBHSA-N 1 2 366.513 2.797 20 30 FFEDLO C=C(C)c1cccc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC001337962626 1055130834 /nfs/dbraw/zinc/13/08/34/1055130834.db2.gz QSEASHVNGHNFDO-YJBOKZPZSA-N 1 2 352.438 2.964 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccc(F)cc2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001352061743 1055163474 /nfs/dbraw/zinc/16/34/74/1055163474.db2.gz AUJYDEYPBFQYJE-ZTQAJYAQSA-N 1 2 373.476 2.712 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccc(F)cc2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001352061743 1055163479 /nfs/dbraw/zinc/16/34/79/1055163479.db2.gz AUJYDEYPBFQYJE-ZTQAJYAQSA-N 1 2 373.476 2.712 20 30 FFEDLO COC(=O)/C=C\c1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000848880532 1055292012 /nfs/dbraw/zinc/29/20/12/1055292012.db2.gz PMGBZMGSFXBNSJ-HJWRWDBZSA-N 1 2 365.433 2.655 20 30 FFEDLO COC(=O)/C=C\c1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000848880532 1055292018 /nfs/dbraw/zinc/29/20/18/1055292018.db2.gz PMGBZMGSFXBNSJ-HJWRWDBZSA-N 1 2 365.433 2.655 20 30 FFEDLO COc1ccc([C@H](C[NH+](C)C)NCCC(=O)Nc2cccc(C#N)c2)cc1 ZINC001338505450 1055576687 /nfs/dbraw/zinc/57/66/87/1055576687.db2.gz KOVDOUSKPDFALC-FQEVSTJZSA-N 1 2 366.465 2.788 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)[C@@H](C)c1ccc(F)cc1 ZINC001338775122 1055801713 /nfs/dbraw/zinc/80/17/13/1055801713.db2.gz UYEQDQAXERRPPW-XKQJLSEDSA-N 1 2 359.449 2.538 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)[C@@H](C)c1ccc(F)cc1 ZINC001338775122 1055801721 /nfs/dbraw/zinc/80/17/21/1055801721.db2.gz UYEQDQAXERRPPW-XKQJLSEDSA-N 1 2 359.449 2.538 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(C)(C#N)CC1 ZINC001338842084 1055863879 /nfs/dbraw/zinc/86/38/79/1055863879.db2.gz QKGDNEXHKVAZPA-SJORKVTESA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(C)(C#N)CC1 ZINC001338842084 1055863883 /nfs/dbraw/zinc/86/38/83/1055863883.db2.gz QKGDNEXHKVAZPA-SJORKVTESA-N 1 2 370.501 2.520 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3Cl)n2CC2CC2)CC1 ZINC001351022596 1056045887 /nfs/dbraw/zinc/04/58/87/1056045887.db2.gz KSBPLTWWGPWZLK-UHFFFAOYSA-N 1 2 369.900 2.688 20 30 FFEDLO Cc1ccc(C(=O)/C=C\C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001339084925 1056078135 /nfs/dbraw/zinc/07/81/35/1056078135.db2.gz AVWBLWLPTXHLSA-IBSYWUHOSA-N 1 2 351.450 2.949 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC2CC1(c1ccccc1)C2 ZINC001339091361 1056082674 /nfs/dbraw/zinc/08/26/74/1056082674.db2.gz SPRRLILDSBADGV-UHFFFAOYSA-N 1 2 360.465 2.914 20 30 FFEDLO C=CCNC(=S)N1CCC(F)(F)[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC001200288421 1056247603 /nfs/dbraw/zinc/24/76/03/1056247603.db2.gz FHOKLMBCVPCIAZ-MRXNPFEDSA-N 1 2 352.454 2.680 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)Nc1ccn(CCC#N)n1)c1ccccc1 ZINC000610326050 1056429004 /nfs/dbraw/zinc/42/90/04/1056429004.db2.gz RTPCOHRVWSBRFI-MRXNPFEDSA-N 1 2 363.425 2.636 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@H](CCF)C1 ZINC001339485214 1056499959 /nfs/dbraw/zinc/49/99/59/1056499959.db2.gz KWWHUXMGKOFUIP-SJORKVTESA-N 1 2 365.497 2.822 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@H](CCF)C1 ZINC001339485214 1056499968 /nfs/dbraw/zinc/49/99/68/1056499968.db2.gz KWWHUXMGKOFUIP-SJORKVTESA-N 1 2 365.497 2.822 20 30 FFEDLO C#CCCCCn1c(CC)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001300365930 1056613634 /nfs/dbraw/zinc/61/36/34/1056613634.db2.gz BMOMXGSAQRFOFJ-UHFFFAOYSA-N 1 2 352.486 2.668 20 30 FFEDLO C=CCn1c(C2CC=CC2)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001339617826 1056643159 /nfs/dbraw/zinc/64/31/59/1056643159.db2.gz WZCMPUDIWBOBCA-UHFFFAOYSA-N 1 2 350.470 2.921 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3sccc3C#N)C2)cc1 ZINC001544669195 1071675959 /nfs/dbraw/zinc/67/59/59/1071675959.db2.gz NKYMOMZZLQMPFR-KRWDZBQOSA-N 1 2 355.463 2.559 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)c3sccc3C#N)C2)cc1 ZINC001544669195 1071675960 /nfs/dbraw/zinc/67/59/60/1071675960.db2.gz NKYMOMZZLQMPFR-KRWDZBQOSA-N 1 2 355.463 2.559 20 30 FFEDLO CC(C)C[C@@H](C(=O)Nc1ccccc1-n1ncc(C#N)c1N)n1cc[nH+]c1 ZINC001449235379 1058880872 /nfs/dbraw/zinc/88/08/72/1058880872.db2.gz XYFCLGVEHFVDRM-KRWDZBQOSA-N 1 2 363.425 2.749 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC[N@@H+]2C)n1CCOC ZINC001514678970 1059050601 /nfs/dbraw/zinc/05/06/01/1059050601.db2.gz ATVCHYRWWQXHKI-INIZCTEOSA-N 1 2 361.515 2.945 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC[N@H+]2C)n1CCOC ZINC001514678970 1059050625 /nfs/dbraw/zinc/05/06/25/1059050625.db2.gz ATVCHYRWWQXHKI-INIZCTEOSA-N 1 2 361.515 2.945 20 30 FFEDLO N#CCC1CCN(c2nnc(C[NH+]3CCCC3)n2C[C@@H]2CCCCO2)CC1 ZINC001519843064 1059126620 /nfs/dbraw/zinc/12/66/20/1059126620.db2.gz WLPACDOYOBDKJS-SFHVURJKSA-N 1 2 372.517 2.573 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001515304027 1059521445 /nfs/dbraw/zinc/52/14/45/1059521445.db2.gz AXSYGCZWNPNSNU-ZACQAIPSSA-N 1 2 360.502 2.790 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001520305666 1059590483 /nfs/dbraw/zinc/59/04/83/1059590483.db2.gz QJWMQZWIXNLMBO-QZTJIDSGSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001520305666 1059590502 /nfs/dbraw/zinc/59/05/02/1059590502.db2.gz QJWMQZWIXNLMBO-QZTJIDSGSA-N 1 2 359.518 2.874 20 30 FFEDLO C=C[C@H](O)c1nnc(N(CC)CC2CCN(c3cccc[nH+]3)CC2)n1CC ZINC001520836065 1060127893 /nfs/dbraw/zinc/12/78/93/1060127893.db2.gz XBUFAZCYLRCSDS-KRWDZBQOSA-N 1 2 370.501 2.655 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)[C@H]1C ZINC001520961053 1060247648 /nfs/dbraw/zinc/24/76/48/1060247648.db2.gz FEWCRQDQGIUBSW-MSOLQXFVSA-N 1 2 355.482 2.920 20 30 FFEDLO C[C@@H]1CC(F)(F)CCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001355480813 1060275563 /nfs/dbraw/zinc/27/55/63/1060275563.db2.gz SLQCTVOROOTAJO-CYBMUJFWSA-N 1 2 352.433 2.532 20 30 FFEDLO C=CCCCC(=O)N[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@@H]1C ZINC001521041735 1060330501 /nfs/dbraw/zinc/33/05/01/1060330501.db2.gz UJKMROSFUCVUKH-FGTMMUONSA-N 1 2 360.502 2.932 20 30 FFEDLO C=C(C)CCC(=O)NC1(C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC001512003391 1060486998 /nfs/dbraw/zinc/48/69/98/1060486998.db2.gz FZCSPPHHBGBRPC-IAGOWNOFSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C(C)CCC(=O)NC1(C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC001512003391 1060487007 /nfs/dbraw/zinc/48/70/07/1060487007.db2.gz FZCSPPHHBGBRPC-IAGOWNOFSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(C)(F)CC1 ZINC001355887260 1060696217 /nfs/dbraw/zinc/69/62/17/1060696217.db2.gz UGBBXVFXBYPDAD-HNNXBMFYSA-N 1 2 351.470 2.574 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(C)(F)CC1 ZINC001355887260 1060696224 /nfs/dbraw/zinc/69/62/24/1060696224.db2.gz UGBBXVFXBYPDAD-HNNXBMFYSA-N 1 2 351.470 2.574 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1cccc(C)n1 ZINC001355886617 1060696295 /nfs/dbraw/zinc/69/62/95/1060696295.db2.gz HFKKCGIGCKWRBY-GOSISDBHSA-N 1 2 370.501 2.586 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1cccc(C)n1 ZINC001355886617 1060696300 /nfs/dbraw/zinc/69/63/00/1060696300.db2.gz HFKKCGIGCKWRBY-GOSISDBHSA-N 1 2 370.501 2.586 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@@H]1c1cccs1 ZINC001355920098 1060726787 /nfs/dbraw/zinc/72/67/87/1060726787.db2.gz NBDXDAKMCMIRLE-ZNMIVQPWSA-N 1 2 359.499 2.605 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H]1c1cccs1 ZINC001355920098 1060726798 /nfs/dbraw/zinc/72/67/98/1060726798.db2.gz NBDXDAKMCMIRLE-ZNMIVQPWSA-N 1 2 359.499 2.605 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)[C@H](C)c1ccccc1C ZINC001355919375 1060727155 /nfs/dbraw/zinc/72/71/55/1060727155.db2.gz ISCSBKIDWQBWID-SOLBZPMBSA-N 1 2 355.486 2.707 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)[C@H](C)c1ccccc1C ZINC001355919375 1060727169 /nfs/dbraw/zinc/72/71/69/1060727169.db2.gz ISCSBKIDWQBWID-SOLBZPMBSA-N 1 2 355.486 2.707 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC2(CCCCO2)CC1 ZINC001355942278 1060746906 /nfs/dbraw/zinc/74/69/06/1060746906.db2.gz RVVDZWVSUAQDST-UHFFFAOYSA-N 1 2 359.518 2.990 20 30 FFEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC001459928823 1060851531 /nfs/dbraw/zinc/85/15/31/1060851531.db2.gz CHVCIPWDAVSIEX-OALUTQOASA-N 1 2 367.424 2.848 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc[nH+]c2N)cc1 ZINC001476041875 1061338121 /nfs/dbraw/zinc/33/81/21/1061338121.db2.gz RFSABYPQLRGNKY-UHFFFAOYSA-N 1 2 365.437 2.800 20 30 FFEDLO COc1c(O)c(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)ccc1[N+](=O)[O-] ZINC001462627858 1061699115 /nfs/dbraw/zinc/69/91/15/1061699115.db2.gz LWKFMIWLAZMDRA-QGZVFWFLSA-N 1 2 369.377 2.754 20 30 FFEDLO COc1c(O)c(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)ccc1[N+](=O)[O-] ZINC001462627858 1061699130 /nfs/dbraw/zinc/69/91/30/1061699130.db2.gz LWKFMIWLAZMDRA-QGZVFWFLSA-N 1 2 369.377 2.754 20 30 FFEDLO N#CCCc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001462955623 1061863152 /nfs/dbraw/zinc/86/31/52/1061863152.db2.gz XPOLNQBHBSTEII-UHFFFAOYSA-N 1 2 366.446 2.807 20 30 FFEDLO C=CCCOCCCCC(=O)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001528568292 1061961389 /nfs/dbraw/zinc/96/13/89/1061961389.db2.gz ULTJUUKQJCTQCV-LEWJYISDSA-N 1 2 372.509 2.861 20 30 FFEDLO C=CCCOCCCCC(=O)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001528568292 1061961403 /nfs/dbraw/zinc/96/14/03/1061961403.db2.gz ULTJUUKQJCTQCV-LEWJYISDSA-N 1 2 372.509 2.861 20 30 FFEDLO C=CC(C)(C)CC(=O)NC1CC2(C1)CC(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001522479203 1062190536 /nfs/dbraw/zinc/19/05/36/1062190536.db2.gz CSGSSCQRHLJMKO-ABLJFPFXSA-N 1 2 370.497 2.659 20 30 FFEDLO C=CC(C)(C)CC(=O)NC1CC2(C1)CC(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001522479203 1062190543 /nfs/dbraw/zinc/19/05/43/1062190543.db2.gz CSGSSCQRHLJMKO-ABLJFPFXSA-N 1 2 370.497 2.659 20 30 FFEDLO Cc1noc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CC#Cc2ccccc2)n1 ZINC001479585468 1062586137 /nfs/dbraw/zinc/58/61/37/1062586137.db2.gz LKRSKDYHJWGXEY-APWZRJJASA-N 1 2 366.465 2.537 20 30 FFEDLO C=C(C)Cn1c(Nc2ccc(OC)cc2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001523776397 1062618336 /nfs/dbraw/zinc/61/83/36/1062618336.db2.gz AMGNSENTHRMICJ-BEFAXECRSA-N 1 2 357.458 2.518 20 30 FFEDLO C=C(C)Cn1c(Nc2ccc(OC)cc2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001523776397 1062618343 /nfs/dbraw/zinc/61/83/43/1062618343.db2.gz AMGNSENTHRMICJ-BEFAXECRSA-N 1 2 357.458 2.518 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](Cc2cn(CC3CC3)nn2)[C@@H]1CC ZINC001479635782 1062669999 /nfs/dbraw/zinc/66/99/99/1062669999.db2.gz NARHFTONWYXSOG-ZWKOTPCHSA-N 1 2 359.518 2.760 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](Cc2cn(CC3CC3)nn2)[C@@H]1CC ZINC001479635782 1062670008 /nfs/dbraw/zinc/67/00/08/1062670008.db2.gz NARHFTONWYXSOG-ZWKOTPCHSA-N 1 2 359.518 2.760 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](Cc2nnc3n2CCCC3)[C@@H]1CC ZINC001479635931 1062673317 /nfs/dbraw/zinc/67/33/17/1062673317.db2.gz PEQSDKMDZRJEFF-JKSUJKDBSA-N 1 2 359.518 2.686 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](Cc2nnc3n2CCCC3)[C@@H]1CC ZINC001479635931 1062673326 /nfs/dbraw/zinc/67/33/26/1062673326.db2.gz PEQSDKMDZRJEFF-JKSUJKDBSA-N 1 2 359.518 2.686 20 30 FFEDLO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1C[C@]1(C)c1ccccc1)C2 ZINC001479741951 1062984532 /nfs/dbraw/zinc/98/45/32/1062984532.db2.gz OPGIPOCNDNKZKK-HRAATJIYSA-N 1 2 365.502 2.728 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001532475122 1063085441 /nfs/dbraw/zinc/08/54/41/1063085441.db2.gz KBLZKCHHGQZBDG-BZUAXINKSA-N 1 2 358.486 2.517 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001532475122 1063085465 /nfs/dbraw/zinc/08/54/65/1063085465.db2.gz KBLZKCHHGQZBDG-BZUAXINKSA-N 1 2 358.486 2.517 20 30 FFEDLO Cc1cccn2cc(CC(=O)N3CC[C@@H](N(C)c4cccc(C#N)c4)C3)[nH+]c12 ZINC001469546151 1064164981 /nfs/dbraw/zinc/16/49/81/1064164981.db2.gz QPDFLTVNQUWXSM-HXUWFJFHSA-N 1 2 373.460 2.794 20 30 FFEDLO C=C(Cl)C[NH+]1CCC(N(Cc2cn[nH]n2)C(=O)/C=C/C(C)(C)C)CC1 ZINC001575058775 1078102092 /nfs/dbraw/zinc/10/20/92/1078102092.db2.gz FRRHDXSEQQMTJY-VMPITWQZSA-N 1 2 365.909 2.953 20 30 FFEDLO C#CCC[N@@H+](CCOC)Cc1cc(C(=O)OC)ccc1Br ZINC001473670839 1065313657 /nfs/dbraw/zinc/31/36/57/1065313657.db2.gz QXRSYPPVHYAWDC-UHFFFAOYSA-N 1 2 354.244 2.707 20 30 FFEDLO C#CCC[N@H+](CCOC)Cc1cc(C(=O)OC)ccc1Br ZINC001473670839 1065313667 /nfs/dbraw/zinc/31/36/67/1065313667.db2.gz QXRSYPPVHYAWDC-UHFFFAOYSA-N 1 2 354.244 2.707 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001560093346 1076225744 /nfs/dbraw/zinc/22/57/44/1076225744.db2.gz BMRISHGPYPMRIN-AUUYWEPGSA-N 1 2 354.491 2.977 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001560093346 1076225747 /nfs/dbraw/zinc/22/57/47/1076225747.db2.gz BMRISHGPYPMRIN-AUUYWEPGSA-N 1 2 354.491 2.977 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[N@H+](CCC2(C#N)CCCCC2)[C@@H](CO)C1 ZINC001560135965 1076232768 /nfs/dbraw/zinc/23/27/68/1076232768.db2.gz GZQFLBPQKCMEFK-MRXNPFEDSA-N 1 2 351.491 2.764 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCC2(C#N)CCCCC2)[C@@H](CO)C1 ZINC001560135965 1076232769 /nfs/dbraw/zinc/23/27/69/1076232769.db2.gz GZQFLBPQKCMEFK-MRXNPFEDSA-N 1 2 351.491 2.764 20 30 FFEDLO N#CCc1ccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC001561225404 1076348726 /nfs/dbraw/zinc/34/87/26/1076348726.db2.gz NEJDEGGNLOBCAQ-CQSZACIVSA-N 1 2 364.858 2.628 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](Cc2csc(CC)n2)[C@@H]1CC ZINC001566011669 1076846106 /nfs/dbraw/zinc/84/61/06/1076846106.db2.gz BIQPHFQAOQZKTP-DAYGRLMNSA-N 1 2 351.516 2.502 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@@H+](Cc2csc(CC)n2)[C@@H]1CC ZINC001566011669 1076846110 /nfs/dbraw/zinc/84/61/10/1076846110.db2.gz BIQPHFQAOQZKTP-DAYGRLMNSA-N 1 2 351.516 2.502 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)[C@@H]1C ZINC001566088912 1076893050 /nfs/dbraw/zinc/89/30/50/1076893050.db2.gz UXSHRSQTXKMKFJ-XNJGSVPQSA-N 1 2 352.837 2.596 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)[C@@H]1C ZINC001566088912 1076893053 /nfs/dbraw/zinc/89/30/53/1076893053.db2.gz UXSHRSQTXKMKFJ-XNJGSVPQSA-N 1 2 352.837 2.596 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](CCC)Cc1csc(C)n1 ZINC001567434595 1077027259 /nfs/dbraw/zinc/02/72/59/1077027259.db2.gz HLKGBWADRJVBSN-IRXDYDNUSA-N 1 2 351.516 2.761 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+](CCC)Cc1csc(C)n1 ZINC001567434595 1077027263 /nfs/dbraw/zinc/02/72/63/1077027263.db2.gz HLKGBWADRJVBSN-IRXDYDNUSA-N 1 2 351.516 2.761 20 30 FFEDLO C=CC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C(=O)OCC ZINC001567457254 1077029638 /nfs/dbraw/zinc/02/96/38/1077029638.db2.gz UYBCRCJCUSTHLN-IAGOWNOFSA-N 1 2 364.873 2.928 20 30 FFEDLO C=CC[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C(=O)OCC ZINC001567457254 1077029643 /nfs/dbraw/zinc/02/96/43/1077029643.db2.gz UYBCRCJCUSTHLN-IAGOWNOFSA-N 1 2 364.873 2.928 20 30 FFEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001586520283 1079644283 /nfs/dbraw/zinc/64/42/83/1079644283.db2.gz SBCREVHKILOTNB-IBGZPJMESA-N 1 2 360.502 2.740 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001588806542 1080204194 /nfs/dbraw/zinc/20/41/94/1080204194.db2.gz UUXSBVKQXBZPLZ-INIZCTEOSA-N 1 2 363.456 2.736 20 30 FFEDLO CCc1nc(C)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000050552168 210062034 /nfs/dbraw/zinc/06/20/34/210062034.db2.gz QUYZANAANPXBSP-UHFFFAOYSA-N 1 2 354.479 2.844 20 30 FFEDLO CCC(=O)c1cc(Br)ccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414160782 513993416 /nfs/dbraw/zinc/99/34/16/513993416.db2.gz JKWWQQCXWXOSDB-CYBMUJFWSA-N 1 2 369.259 2.627 20 30 FFEDLO COCC[N@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1ccc(C#N)cc1 ZINC000063753594 212033212 /nfs/dbraw/zinc/03/32/12/212033212.db2.gz RVJUNYQJDYFEMA-UHFFFAOYSA-N 1 2 355.482 2.940 20 30 FFEDLO COCC[N@@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1ccc(C#N)cc1 ZINC000063753594 212033216 /nfs/dbraw/zinc/03/32/16/212033216.db2.gz RVJUNYQJDYFEMA-UHFFFAOYSA-N 1 2 355.482 2.940 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCCN(CC(F)(F)F)CC3)o2)cc1 ZINC000173521493 251198693 /nfs/dbraw/zinc/19/86/93/251198693.db2.gz BWJLMWGNOMQKGU-UHFFFAOYSA-N 1 2 365.359 2.678 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCN(CC(F)(F)F)CC3)o2)cc1 ZINC000173521493 251198695 /nfs/dbraw/zinc/19/86/95/251198695.db2.gz BWJLMWGNOMQKGU-UHFFFAOYSA-N 1 2 365.359 2.678 20 30 FFEDLO CC(C)C[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)nc3)c2C1 ZINC000181074104 251237462 /nfs/dbraw/zinc/23/74/62/251237462.db2.gz DBZZBMRWXMFAOO-UHFFFAOYSA-N 1 2 356.451 2.726 20 30 FFEDLO CC(C)C[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)nc3)c2C1 ZINC000181074104 251237466 /nfs/dbraw/zinc/23/74/66/251237466.db2.gz DBZZBMRWXMFAOO-UHFFFAOYSA-N 1 2 356.451 2.726 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](COc3ccccc3)C2)cc1 ZINC000272617419 252082739 /nfs/dbraw/zinc/08/27/39/252082739.db2.gz UCHOFMVPIPJBIE-GOSISDBHSA-N 1 2 370.474 2.733 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](COc3ccccc3)C2)cc1 ZINC000272617419 252082742 /nfs/dbraw/zinc/08/27/42/252082742.db2.gz UCHOFMVPIPJBIE-GOSISDBHSA-N 1 2 370.474 2.733 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(C#N)c1C ZINC000285759419 257003268 /nfs/dbraw/zinc/00/32/68/257003268.db2.gz ZHHREPDFTSBBKB-BDJLRTHQSA-N 1 2 373.375 2.874 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(C#N)c1C ZINC000285759419 257003269 /nfs/dbraw/zinc/00/32/69/257003269.db2.gz ZHHREPDFTSBBKB-BDJLRTHQSA-N 1 2 373.375 2.874 20 30 FFEDLO CCOC1CC(CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000276827740 256134760 /nfs/dbraw/zinc/13/47/60/256134760.db2.gz DVDDQAUOAKEZGJ-UHFFFAOYSA-N 1 2 370.497 2.591 20 30 FFEDLO N#Cc1ccc(OCC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000279021272 256372511 /nfs/dbraw/zinc/37/25/11/256372511.db2.gz VRTFMGHALJPWQK-UHFFFAOYSA-N 1 2 364.449 2.876 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)o2)cc1 ZINC000286473089 257038750 /nfs/dbraw/zinc/03/87/50/257038750.db2.gz LADXDCYWVJQPMF-ZIAGYGMSSA-N 1 2 366.343 2.601 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)o2)cc1 ZINC000286473089 257038751 /nfs/dbraw/zinc/03/87/51/257038751.db2.gz LADXDCYWVJQPMF-ZIAGYGMSSA-N 1 2 366.343 2.601 20 30 FFEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000287944987 257132398 /nfs/dbraw/zinc/13/23/98/257132398.db2.gz XQDKZKIUZKUDPI-UHFFFAOYSA-N 1 2 360.259 2.824 20 30 FFEDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)C1 ZINC000301390299 258046891 /nfs/dbraw/zinc/04/68/91/258046891.db2.gz GDXLGFDLQBJYLQ-YJBOKZPZSA-N 1 2 358.461 2.514 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3c(C#N)cccc3C#N)CC2)cc1F ZINC000302423776 258101420 /nfs/dbraw/zinc/10/14/20/258101420.db2.gz JOHGPYRVLOMOGM-UHFFFAOYSA-N 1 2 350.397 2.900 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000301666309 258061633 /nfs/dbraw/zinc/06/16/33/258061633.db2.gz WVARLDSGBKSABS-UXHICEINSA-N 1 2 364.405 2.556 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000301666309 258061634 /nfs/dbraw/zinc/06/16/34/258061634.db2.gz WVARLDSGBKSABS-UXHICEINSA-N 1 2 364.405 2.556 20 30 FFEDLO C[C@H](c1nnc(Sc2ccc(C#N)nn2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000301923672 258075773 /nfs/dbraw/zinc/07/57/73/258075773.db2.gz LRTOWTANWXGGKH-LLVKDONJSA-N 1 2 369.429 2.842 20 30 FFEDLO CC(C)c1nc(N2CCCN(c3ccccc3C#N)CC2)nc(N(C)C)[nH+]1 ZINC000301929869 258075789 /nfs/dbraw/zinc/07/57/89/258075789.db2.gz NXROYIQYIJRMPL-UHFFFAOYSA-N 1 2 365.485 2.649 20 30 FFEDLO CC(C)c1nc(N(C)C)nc(N2CCCN(c3ccccc3C#N)CC2)[nH+]1 ZINC000301929869 258075790 /nfs/dbraw/zinc/07/57/90/258075790.db2.gz NXROYIQYIJRMPL-UHFFFAOYSA-N 1 2 365.485 2.649 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)c(Br)c1 ZINC000332300862 258224127 /nfs/dbraw/zinc/22/41/27/258224127.db2.gz KSQNJANCUMVOJP-GFCCVEGCSA-N 1 2 363.215 2.789 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)c(Br)c1 ZINC000332300862 258224128 /nfs/dbraw/zinc/22/41/28/258224128.db2.gz KSQNJANCUMVOJP-GFCCVEGCSA-N 1 2 363.215 2.789 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)c(Br)c1 ZINC000332300862 258224129 /nfs/dbraw/zinc/22/41/29/258224129.db2.gz KSQNJANCUMVOJP-GFCCVEGCSA-N 1 2 363.215 2.789 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)c(Br)c1 ZINC000332300862 258224130 /nfs/dbraw/zinc/22/41/30/258224130.db2.gz KSQNJANCUMVOJP-GFCCVEGCSA-N 1 2 363.215 2.789 20 30 FFEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC(=O)[C@@H](C)C3)sc2C1 ZINC000333122239 258251264 /nfs/dbraw/zinc/25/12/64/258251264.db2.gz IIVVTARTAPNRFE-OLZOCXBDSA-N 1 2 359.495 2.984 20 30 FFEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC(=O)[C@@H](C)C3)sc2C1 ZINC000333122239 258251265 /nfs/dbraw/zinc/25/12/65/258251265.db2.gz IIVVTARTAPNRFE-OLZOCXBDSA-N 1 2 359.495 2.984 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1Cl ZINC000370904372 512126210 /nfs/dbraw/zinc/12/62/10/512126210.db2.gz JDDLIBOXOPHYSM-MRXNPFEDSA-N 1 2 374.872 2.627 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1Cl ZINC000370904372 512126213 /nfs/dbraw/zinc/12/62/13/512126213.db2.gz JDDLIBOXOPHYSM-MRXNPFEDSA-N 1 2 374.872 2.627 20 30 FFEDLO CC[N@@H+](CC(=O)N(C)Cc1cc(Br)cs1)C[C@@H](C)C#N ZINC000066424872 506512634 /nfs/dbraw/zinc/51/26/34/506512634.db2.gz PBTHIYWSLJIATN-NSHDSACASA-N 1 2 358.305 2.951 20 30 FFEDLO CC[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)C[C@@H](C)C#N ZINC000066424872 506512640 /nfs/dbraw/zinc/51/26/40/506512640.db2.gz PBTHIYWSLJIATN-NSHDSACASA-N 1 2 358.305 2.951 20 30 FFEDLO CN(Cc1cn2cc(Cl)ccc2[nH+]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000054234974 506520814 /nfs/dbraw/zinc/52/08/14/506520814.db2.gz NBLUSAIGLXUKNS-UHFFFAOYSA-N 1 2 360.826 2.680 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066900039 506687492 /nfs/dbraw/zinc/68/74/92/506687492.db2.gz SUFYTLXJRRPEQF-UZLBHIALSA-N 1 2 357.454 2.649 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066900039 506687498 /nfs/dbraw/zinc/68/74/98/506687498.db2.gz SUFYTLXJRRPEQF-UZLBHIALSA-N 1 2 357.454 2.649 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000373377186 512299736 /nfs/dbraw/zinc/29/97/36/512299736.db2.gz MAAKAXQHLKXBBI-UYAOXDASSA-N 1 2 352.438 2.799 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc4c(c(Cl)c3)OCO4)CC2)c1 ZINC000043999523 506807469 /nfs/dbraw/zinc/80/74/69/506807469.db2.gz ASYVNNLRVAWPJA-UHFFFAOYSA-N 1 2 356.813 2.658 20 30 FFEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000044741620 506881405 /nfs/dbraw/zinc/88/14/05/506881405.db2.gz KBWXRHGGWRDAST-YWZLYKJASA-N 1 2 374.916 2.827 20 30 FFEDLO N#Cc1ccc(NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000045027367 506908183 /nfs/dbraw/zinc/90/81/83/506908183.db2.gz KKUSWTBRCGXEJT-LJQANCHMSA-N 1 2 350.422 2.753 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000067577867 506936228 /nfs/dbraw/zinc/93/62/28/506936228.db2.gz RJUHUMCTSWVMPV-OAHLLOKOSA-N 1 2 362.499 2.734 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CCC(C(=O)OCC)CC1)Cc1ccccc1F ZINC000056312531 506982426 /nfs/dbraw/zinc/98/24/26/506982426.db2.gz NYRVVYSTXYYSRK-UHFFFAOYSA-N 1 2 362.445 2.615 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CCC(C(=O)OCC)CC1)Cc1ccccc1F ZINC000056312531 506982429 /nfs/dbraw/zinc/98/24/29/506982429.db2.gz NYRVVYSTXYYSRK-UHFFFAOYSA-N 1 2 362.445 2.615 20 30 FFEDLO C[C@@H]1CCCN(C(=O)C2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)C1 ZINC000045803637 507023779 /nfs/dbraw/zinc/02/37/79/507023779.db2.gz KYOYEDUOJYHBJO-CQSZACIVSA-N 1 2 374.510 2.529 20 30 FFEDLO CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367056884 512316697 /nfs/dbraw/zinc/31/66/97/512316697.db2.gz CSTDCECOBQUJLR-UHFFFAOYSA-N 1 2 366.440 2.736 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000016429430 507088335 /nfs/dbraw/zinc/08/83/35/507088335.db2.gz VDSWVZLFTJFDBB-UHFFFAOYSA-N 1 2 373.453 2.594 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000016429430 507088343 /nfs/dbraw/zinc/08/83/43/507088343.db2.gz VDSWVZLFTJFDBB-UHFFFAOYSA-N 1 2 373.453 2.594 20 30 FFEDLO C[N@H+](CC(=O)N1c2ccccc2NC(=O)C1(C)C)Cc1ccc(C#N)cc1 ZINC000046526751 507149752 /nfs/dbraw/zinc/14/97/52/507149752.db2.gz AQSOAYHHGJEBMY-UHFFFAOYSA-N 1 2 362.433 2.754 20 30 FFEDLO C[N@@H+](CC(=O)N1c2ccccc2NC(=O)C1(C)C)Cc1ccc(C#N)cc1 ZINC000046526751 507149754 /nfs/dbraw/zinc/14/97/54/507149754.db2.gz AQSOAYHHGJEBMY-UHFFFAOYSA-N 1 2 362.433 2.754 20 30 FFEDLO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367071642 512323881 /nfs/dbraw/zinc/32/38/81/512323881.db2.gz FTDSVKVAXOJHCX-PZJWPPBQSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367071642 512323885 /nfs/dbraw/zinc/32/38/85/512323885.db2.gz FTDSVKVAXOJHCX-PZJWPPBQSA-N 1 2 352.434 2.680 20 30 FFEDLO N#Cc1c(NC(=O)C[N@@H+](CC(N)=O)C2CCCC2)sc2c1CCCCC2 ZINC000047274340 507297440 /nfs/dbraw/zinc/29/74/40/507297440.db2.gz QGHIDKCZWHXUPW-UHFFFAOYSA-N 1 2 374.510 2.557 20 30 FFEDLO N#Cc1c(NC(=O)C[N@H+](CC(N)=O)C2CCCC2)sc2c1CCCCC2 ZINC000047274340 507297449 /nfs/dbraw/zinc/29/74/49/507297449.db2.gz QGHIDKCZWHXUPW-UHFFFAOYSA-N 1 2 374.510 2.557 20 30 FFEDLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781444 507309927 /nfs/dbraw/zinc/30/99/27/507309927.db2.gz MWXYWWBBHCXRCC-CEXWTWQISA-N 1 2 368.525 2.569 20 30 FFEDLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000022781444 507309928 /nfs/dbraw/zinc/30/99/28/507309928.db2.gz MWXYWWBBHCXRCC-CEXWTWQISA-N 1 2 368.525 2.569 20 30 FFEDLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057906212 507350503 /nfs/dbraw/zinc/35/05/03/507350503.db2.gz NECQHNLDRPWJEC-UHFFFAOYSA-N 1 2 351.454 2.972 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2CCC(C#N)CC2)c1C#N ZINC000057906900 507351287 /nfs/dbraw/zinc/35/12/87/507351287.db2.gz MEPUXHKAVNKWKN-UHFFFAOYSA-N 1 2 365.437 2.792 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000024713267 507432818 /nfs/dbraw/zinc/43/28/18/507432818.db2.gz FHXSVHGOZCCFQG-UHFFFAOYSA-N 1 2 373.453 2.594 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000024713267 507432822 /nfs/dbraw/zinc/43/28/22/507432822.db2.gz FHXSVHGOZCCFQG-UHFFFAOYSA-N 1 2 373.453 2.594 20 30 FFEDLO COc1cc(C#N)ccc1OCC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000058957884 507485996 /nfs/dbraw/zinc/48/59/96/507485996.db2.gz BBWDTEWLNWZSPK-UHFFFAOYSA-N 1 2 369.421 2.625 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)Cc1cccs1 ZINC000025800028 507534721 /nfs/dbraw/zinc/53/47/21/507534721.db2.gz MHCBUYSGESMKJN-UHFFFAOYSA-N 1 2 369.446 2.601 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)Cc1cccs1 ZINC000025800028 507534730 /nfs/dbraw/zinc/53/47/30/507534730.db2.gz MHCBUYSGESMKJN-UHFFFAOYSA-N 1 2 369.446 2.601 20 30 FFEDLO COc1cc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc(OC)c1OC ZINC000026323719 507576115 /nfs/dbraw/zinc/57/61/15/507576115.db2.gz XBXUQJQMJRGLJU-UHFFFAOYSA-N 1 2 369.421 2.655 20 30 FFEDLO COc1cc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc(OC)c1OC ZINC000026323719 507576124 /nfs/dbraw/zinc/57/61/24/507576124.db2.gz XBXUQJQMJRGLJU-UHFFFAOYSA-N 1 2 369.421 2.655 20 30 FFEDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026323592 507576802 /nfs/dbraw/zinc/57/68/02/507576802.db2.gz PSQRQBDFXSMINV-UHFFFAOYSA-N 1 2 354.366 2.546 20 30 FFEDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026323592 507576810 /nfs/dbraw/zinc/57/68/10/507576810.db2.gz PSQRQBDFXSMINV-UHFFFAOYSA-N 1 2 354.366 2.546 20 30 FFEDLO CCOC(=O)Cc1csc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)n1 ZINC000026329237 507579585 /nfs/dbraw/zinc/57/95/85/507579585.db2.gz CFJHWYXHKVWKPI-UHFFFAOYSA-N 1 2 372.450 2.840 20 30 FFEDLO CCOC(=O)Cc1csc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)n1 ZINC000026329237 507579588 /nfs/dbraw/zinc/57/95/88/507579588.db2.gz CFJHWYXHKVWKPI-UHFFFAOYSA-N 1 2 372.450 2.840 20 30 FFEDLO Cc1cccc([C@@H](CNC(=O)c2cccc(CC#N)c2)[NH+]2CCOCC2)c1 ZINC000049734386 507635680 /nfs/dbraw/zinc/63/56/80/507635680.db2.gz QTDUXJOUWWECLZ-OAQYLSRUSA-N 1 2 363.461 2.864 20 30 FFEDLO CC(C)(C)CC(=O)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000027598243 507669519 /nfs/dbraw/zinc/66/95/19/507669519.db2.gz USUQNSSLHJFXQB-UHFFFAOYSA-N 1 2 362.499 2.529 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000050231525 507675667 /nfs/dbraw/zinc/67/56/67/507675667.db2.gz OJMUVJWQUMKHBG-AZUAARDMSA-N 1 2 361.461 2.861 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000050231525 507675672 /nfs/dbraw/zinc/67/56/72/507675672.db2.gz OJMUVJWQUMKHBG-AZUAARDMSA-N 1 2 361.461 2.861 20 30 FFEDLO COCC[N@H+](CC(=O)NCc1ccc(C)cc1)Cc1ccc(C#N)cc1 ZINC000063754414 507768091 /nfs/dbraw/zinc/76/80/91/507768091.db2.gz LNABSNGEOJWVTQ-UHFFFAOYSA-N 1 2 351.450 2.632 20 30 FFEDLO COCC[N@@H+](CC(=O)NCc1ccc(C)cc1)Cc1ccc(C#N)cc1 ZINC000063754414 507768096 /nfs/dbraw/zinc/76/80/96/507768096.db2.gz LNABSNGEOJWVTQ-UHFFFAOYSA-N 1 2 351.450 2.632 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000029757146 507789183 /nfs/dbraw/zinc/78/91/83/507789183.db2.gz JPFNUCDIMAXLJR-HNNXBMFYSA-N 1 2 355.463 2.731 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000029783549 507790098 /nfs/dbraw/zinc/79/00/98/507790098.db2.gz FGNSQXIICIKZTP-KXBFYZLASA-N 1 2 360.417 2.965 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000029861797 507793663 /nfs/dbraw/zinc/79/36/63/507793663.db2.gz DQSILHWYKKNELN-ACJLOTCBSA-N 1 2 364.877 2.653 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000029861797 507793666 /nfs/dbraw/zinc/79/36/66/507793666.db2.gz DQSILHWYKKNELN-ACJLOTCBSA-N 1 2 364.877 2.653 20 30 FFEDLO N#CCc1ccc(NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000072482811 507798158 /nfs/dbraw/zinc/79/81/58/507798158.db2.gz WPFZWQSUMYUQFY-FQEVSTJZSA-N 1 2 364.449 2.948 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072898069 507870725 /nfs/dbraw/zinc/87/07/25/507870725.db2.gz GYMCSUOGOCYHHR-QZTJIDSGSA-N 1 2 364.405 2.965 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072898069 507870727 /nfs/dbraw/zinc/87/07/27/507870727.db2.gz GYMCSUOGOCYHHR-QZTJIDSGSA-N 1 2 364.405 2.965 20 30 FFEDLO CCCCOc1ccccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000078503187 507878056 /nfs/dbraw/zinc/87/80/56/507878056.db2.gz MAGMHOYXURXSCU-UHFFFAOYSA-N 1 2 374.485 2.945 20 30 FFEDLO CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ncccc3C#N)CC2)cc1 ZINC000073108204 507894880 /nfs/dbraw/zinc/89/48/80/507894880.db2.gz ULIYONRYAQJREJ-MRXNPFEDSA-N 1 2 363.465 2.665 20 30 FFEDLO C=CC[N@@H+](Cc1cc(C)c(Br)s1)[C@H]1CCS(=O)(=O)C1 ZINC000092361302 508064425 /nfs/dbraw/zinc/06/44/25/508064425.db2.gz SDLKODPXPNPWJJ-NSHDSACASA-N 1 2 364.330 2.994 20 30 FFEDLO C=CC[N@H+](Cc1cc(C)c(Br)s1)[C@H]1CCS(=O)(=O)C1 ZINC000092361302 508064427 /nfs/dbraw/zinc/06/44/27/508064427.db2.gz SDLKODPXPNPWJJ-NSHDSACASA-N 1 2 364.330 2.994 20 30 FFEDLO COc1ccc(C[NH+]2CCN(CC#N)CC2)cc1OCc1ccccc1 ZINC000092936054 508109319 /nfs/dbraw/zinc/10/93/19/508109319.db2.gz KUFGRGYUCPWZNF-UHFFFAOYSA-N 1 2 351.450 2.915 20 30 FFEDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000080906194 508110206 /nfs/dbraw/zinc/11/02/06/508110206.db2.gz AWTHUZWEOCYEOP-IBGZPJMESA-N 1 2 366.421 2.986 20 30 FFEDLO C[C@H](CCO)[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000093311144 508137194 /nfs/dbraw/zinc/13/71/94/508137194.db2.gz QUGUMYMOEIFRHD-QGZVFWFLSA-N 1 2 372.490 2.605 20 30 FFEDLO C[C@H](CCO)[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000093311144 508137196 /nfs/dbraw/zinc/13/71/96/508137196.db2.gz QUGUMYMOEIFRHD-QGZVFWFLSA-N 1 2 372.490 2.605 20 30 FFEDLO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)[C@@H](C)CS(C)(=O)=O ZINC000093390158 508143619 /nfs/dbraw/zinc/14/36/19/508143619.db2.gz DXTQNCRJBVCDHU-INIZCTEOSA-N 1 2 374.510 2.719 20 30 FFEDLO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)[C@@H](C)CS(C)(=O)=O ZINC000093390158 508143621 /nfs/dbraw/zinc/14/36/21/508143621.db2.gz DXTQNCRJBVCDHU-INIZCTEOSA-N 1 2 374.510 2.719 20 30 FFEDLO N#CCc1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000076084114 508157406 /nfs/dbraw/zinc/15/74/06/508157406.db2.gz OHYAWESMNZLJJA-FQEVSTJZSA-N 1 2 364.449 2.948 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(CC#N)cc3)c[nH+]2)CCO1 ZINC000076188730 508167233 /nfs/dbraw/zinc/16/72/33/508167233.db2.gz XJOFMTGHHKQUOI-HNNXBMFYSA-N 1 2 365.437 2.694 20 30 FFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000076202094 508169108 /nfs/dbraw/zinc/16/91/08/508169108.db2.gz JKHKZZQMVJKULY-CQSZACIVSA-N 1 2 350.378 2.745 20 30 FFEDLO N#Cc1ccc(OCc2ccc(C(=O)NCCCn3cc[nH+]c3)o2)cc1 ZINC000076426382 508204682 /nfs/dbraw/zinc/20/46/82/508204682.db2.gz JYTYKFHBFMMGIM-UHFFFAOYSA-N 1 2 350.378 2.747 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000112658142 508206354 /nfs/dbraw/zinc/20/63/54/508206354.db2.gz CMWIDETXBPEDPL-SJORKVTESA-N 1 2 363.465 2.659 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000083243501 508242347 /nfs/dbraw/zinc/24/23/47/508242347.db2.gz FTPZZAGZRPRDJX-UXHICEINSA-N 1 2 372.465 2.822 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000101554796 508245340 /nfs/dbraw/zinc/24/53/40/508245340.db2.gz WXKQCERWVMXVDK-OAQYLSRUSA-N 1 2 360.461 2.700 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554669 508245441 /nfs/dbraw/zinc/24/54/41/508245441.db2.gz WDEFFOYRNUVLBZ-AWEZNQCLSA-N 1 2 370.403 2.986 20 30 FFEDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)cc1 ZINC000101554736 508245609 /nfs/dbraw/zinc/24/56/09/508245609.db2.gz WREGRTKZRSXPDD-INIZCTEOSA-N 1 2 364.449 2.716 20 30 FFEDLO N#Cc1ccc(CNC(=O)NCc2[nH+]ccn2CCc2ccccc2)cc1 ZINC000083644749 508250209 /nfs/dbraw/zinc/25/02/09/508250209.db2.gz FRDXWKAIYKDRHT-UHFFFAOYSA-N 1 2 359.433 2.997 20 30 FFEDLO CCN(CCC#N)C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000084408996 508278209 /nfs/dbraw/zinc/27/82/09/508278209.db2.gz AGMAPDHMZBMBBB-UHFFFAOYSA-N 1 2 352.438 2.919 20 30 FFEDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCOc1ccc(C#N)cc1OC ZINC000077318032 508300075 /nfs/dbraw/zinc/30/00/75/508300075.db2.gz LGWMSXDGKCHYQD-IBGZPJMESA-N 1 2 354.406 2.792 20 30 FFEDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCOc1ccc(C#N)cc1OC ZINC000077318032 508300076 /nfs/dbraw/zinc/30/00/76/508300076.db2.gz LGWMSXDGKCHYQD-IBGZPJMESA-N 1 2 354.406 2.792 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000114706265 508339832 /nfs/dbraw/zinc/33/98/32/508339832.db2.gz KELZRBJQAKRVFB-MRXNPFEDSA-N 1 2 350.422 2.503 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000114830067 508351753 /nfs/dbraw/zinc/35/17/53/508351753.db2.gz BFQVOGVJHVRRIV-HNNXBMFYSA-N 1 2 367.428 2.681 20 30 FFEDLO N#Cc1ccc(CNC(=O)N2CCC[N@H+](Cc3cscn3)CC2)c(F)c1 ZINC000105721753 508382117 /nfs/dbraw/zinc/38/21/17/508382117.db2.gz ZTSABDNMZJUPBP-UHFFFAOYSA-N 1 2 373.457 2.571 20 30 FFEDLO N#Cc1ccc(CNC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)c(F)c1 ZINC000105721753 508382119 /nfs/dbraw/zinc/38/21/19/508382119.db2.gz ZTSABDNMZJUPBP-UHFFFAOYSA-N 1 2 373.457 2.571 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115595591 508415342 /nfs/dbraw/zinc/41/53/42/508415342.db2.gz GLWVXGPGPSSDOS-FQEVSTJZSA-N 1 2 359.433 2.677 20 30 FFEDLO COc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000115599166 508416829 /nfs/dbraw/zinc/41/68/29/508416829.db2.gz FYDSGNJBCDWVOH-MRXNPFEDSA-N 1 2 363.339 2.902 20 30 FFEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]O[C@@H](C)c3nnc(C)o3)c2)n1 ZINC000122234992 508503965 /nfs/dbraw/zinc/50/39/65/508503965.db2.gz DEUIBTUWAAXHHH-ZDUSSCGKSA-N 1 2 354.414 2.638 20 30 FFEDLO N#Cc1ccc(CSCC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000152783307 508515417 /nfs/dbraw/zinc/51/54/17/508515417.db2.gz FZYGXDUMSXGAAZ-QGZVFWFLSA-N 1 2 352.463 2.582 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(Oc2ccccc2Cl)CC1)C1CC1 ZINC000157345267 508554807 /nfs/dbraw/zinc/55/48/07/508554807.db2.gz WEAIEUAKMROTSF-IBGZPJMESA-N 1 2 361.873 2.992 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135619629 508632927 /nfs/dbraw/zinc/63/29/27/508632927.db2.gz YCQAFIFRPHWUCH-MRXNPFEDSA-N 1 2 364.511 2.533 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCOC2(CCOCC2)C1 ZINC000135619629 508632929 /nfs/dbraw/zinc/63/29/29/508632929.db2.gz YCQAFIFRPHWUCH-MRXNPFEDSA-N 1 2 364.511 2.533 20 30 FFEDLO CC(C)n1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000118861247 508687874 /nfs/dbraw/zinc/68/78/74/508687874.db2.gz MRCBNFNWJMPILT-RDJZCZTQSA-N 1 2 366.469 2.937 20 30 FFEDLO CC(C)n1cnnc1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000118861247 508687876 /nfs/dbraw/zinc/68/78/76/508687876.db2.gz MRCBNFNWJMPILT-RDJZCZTQSA-N 1 2 366.469 2.937 20 30 FFEDLO CC[C@@H](C)[N@H+](CC(=O)NC1(C#N)CCCCC1)CC(=O)OC(C)(C)C ZINC000136344531 508688414 /nfs/dbraw/zinc/68/84/14/508688414.db2.gz AXHSCJDEZMJJAN-OAHLLOKOSA-N 1 2 351.491 2.771 20 30 FFEDLO CC[C@@H](C)[N@@H+](CC(=O)NC1(C#N)CCCCC1)CC(=O)OC(C)(C)C ZINC000136344531 508688419 /nfs/dbraw/zinc/68/84/19/508688419.db2.gz AXHSCJDEZMJJAN-OAHLLOKOSA-N 1 2 351.491 2.771 20 30 FFEDLO C=C[C@@H](CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000158855269 508760637 /nfs/dbraw/zinc/76/06/37/508760637.db2.gz PGPGWBXUKHRLII-PXNSSMCTSA-N 1 2 360.523 2.670 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000124465099 508837039 /nfs/dbraw/zinc/83/70/39/508837039.db2.gz FXYRAAYNRKXPML-TZMCWYRMSA-N 1 2 358.467 2.834 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000124465099 508837043 /nfs/dbraw/zinc/83/70/43/508837043.db2.gz FXYRAAYNRKXPML-TZMCWYRMSA-N 1 2 358.467 2.834 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nc(-c2ccccc2)cs1 ZINC000154795138 508857560 /nfs/dbraw/zinc/85/75/60/508857560.db2.gz UIVAGICBSQPTMS-UHFFFAOYSA-N 1 2 356.495 2.858 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000120062260 508919531 /nfs/dbraw/zinc/91/95/31/508919531.db2.gz FRUWUMVNXOILLJ-JKSUJKDBSA-N 1 2 352.438 2.540 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000120062733 508919943 /nfs/dbraw/zinc/91/99/43/508919943.db2.gz FRUWUMVNXOILLJ-CVEARBPZSA-N 1 2 352.438 2.540 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155365822 508986843 /nfs/dbraw/zinc/98/68/43/508986843.db2.gz VSWANOADMNTFLI-LLVKDONJSA-N 1 2 365.359 2.770 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155365822 508986846 /nfs/dbraw/zinc/98/68/46/508986846.db2.gz VSWANOADMNTFLI-LLVKDONJSA-N 1 2 365.359 2.770 20 30 FFEDLO N#Cc1ccc(Oc2ccccc2OC[C@H](O)C[NH+]2CCOCC2)c(F)c1 ZINC000155366020 508986969 /nfs/dbraw/zinc/98/69/69/508986969.db2.gz QAOLWOILJMMQTP-MRXNPFEDSA-N 1 2 372.396 2.562 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=O)CN([C@H]2CCC[C@H]3OCC[C@@H]32)C1=[NH2+] ZINC000155493748 509013048 /nfs/dbraw/zinc/01/30/48/509013048.db2.gz IYNCKUMVMXXBCY-QWQRMKEZSA-N 1 2 366.465 2.604 20 30 FFEDLO CC(C)(C(=O)NCCc1cn2c([nH+]1)CCCC2)c1cc(F)cc(C#N)c1 ZINC000375641477 512433775 /nfs/dbraw/zinc/43/37/75/512433775.db2.gz LBURASVCLQIVGE-UHFFFAOYSA-N 1 2 354.429 2.867 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCSCC2)cc1 ZINC000151688453 509067078 /nfs/dbraw/zinc/06/70/78/509067078.db2.gz HHGZYHHSVPBWQP-MRXNPFEDSA-N 1 2 373.522 2.877 20 30 FFEDLO CCS(=O)(=O)Nc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1C ZINC000120856345 509077195 /nfs/dbraw/zinc/07/71/95/509077195.db2.gz LVVWUEOTRZZQHR-UHFFFAOYSA-N 1 2 369.450 2.888 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161662480 509140887 /nfs/dbraw/zinc/14/08/87/509140887.db2.gz GXNBOKINGNLKJW-NHYWBVRUSA-N 1 2 355.360 2.520 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000263870748 509198228 /nfs/dbraw/zinc/19/82/28/509198228.db2.gz FTSONZSUVLPAHW-CQSZACIVSA-N 1 2 357.454 2.939 20 30 FFEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCc4ccccc4NC3=O)CC2)c(F)c1 ZINC000191980556 509274999 /nfs/dbraw/zinc/27/49/99/509274999.db2.gz UUQCMKAAWBBCFT-FQEVSTJZSA-N 1 2 364.424 2.773 20 30 FFEDLO COc1ccc(Cl)c(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000192068716 509329661 /nfs/dbraw/zinc/32/96/61/509329661.db2.gz BDUHORGLQIVYPG-ZDUSSCGKSA-N 1 2 357.845 2.721 20 30 FFEDLO COc1ccc(Cl)c(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000192068716 509329668 /nfs/dbraw/zinc/32/96/68/509329668.db2.gz BDUHORGLQIVYPG-ZDUSSCGKSA-N 1 2 357.845 2.721 20 30 FFEDLO Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)on1 ZINC000264132573 509343969 /nfs/dbraw/zinc/34/39/69/509343969.db2.gz OXEFQRLUEOFNKJ-CQSZACIVSA-N 1 2 354.410 2.725 20 30 FFEDLO C[C@H](C#N)CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000182655775 509353468 /nfs/dbraw/zinc/35/34/68/509353468.db2.gz KLIOLPYAOVTIGV-IUODEOHRSA-N 1 2 352.841 2.902 20 30 FFEDLO C[C@H](C#N)CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000182655775 509353471 /nfs/dbraw/zinc/35/34/71/509353471.db2.gz KLIOLPYAOVTIGV-IUODEOHRSA-N 1 2 352.841 2.902 20 30 FFEDLO N#CCC[C@H](C#N)C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000248821850 509496795 /nfs/dbraw/zinc/49/67/95/509496795.db2.gz JKNNMPIRKCUANS-LLVKDONJSA-N 1 2 358.393 2.513 20 30 FFEDLO N#CCC[C@H](C#N)C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000248821850 509496799 /nfs/dbraw/zinc/49/67/99/509496799.db2.gz JKNNMPIRKCUANS-LLVKDONJSA-N 1 2 358.393 2.513 20 30 FFEDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cnc2ccc(C#N)cn12 ZINC000179603064 509531399 /nfs/dbraw/zinc/53/13/99/509531399.db2.gz NTEMGZMOKJZETA-UHFFFAOYSA-N 1 2 363.421 2.675 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cnc2ccc(C#N)cn12 ZINC000179603064 509531402 /nfs/dbraw/zinc/53/14/02/509531402.db2.gz NTEMGZMOKJZETA-UHFFFAOYSA-N 1 2 363.421 2.675 20 30 FFEDLO Cc1ccc(C)c(N2CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000164755353 509531737 /nfs/dbraw/zinc/53/17/37/509531737.db2.gz WSVAQDXLSZQVEZ-NQIIRXRSSA-N 1 2 356.514 2.868 20 30 FFEDLO COc1ccc(OC)c(CN2CC[NH+](Cc3ccc(C#N)s3)CC2)c1 ZINC000179637982 509548123 /nfs/dbraw/zinc/54/81/23/509548123.db2.gz CCDLJZZVMWZKCR-UHFFFAOYSA-N 1 2 357.479 2.955 20 30 FFEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3ccc(C#N)s3)CC2)c1 ZINC000179637982 509548130 /nfs/dbraw/zinc/54/81/30/509548130.db2.gz CCDLJZZVMWZKCR-UHFFFAOYSA-N 1 2 357.479 2.955 20 30 FFEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000264573303 509607606 /nfs/dbraw/zinc/60/76/06/509607606.db2.gz SOKKGRINWDOOPN-UHFFFAOYSA-N 1 2 353.397 2.686 20 30 FFEDLO COCCOc1cccc(CNC(=O)C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000264605955 509619114 /nfs/dbraw/zinc/61/91/14/509619114.db2.gz HKDLLORBOHTBRF-UHFFFAOYSA-N 1 2 361.486 2.590 20 30 FFEDLO COCCOc1cccc(CNC(=O)C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000264605955 509619120 /nfs/dbraw/zinc/61/91/20/509619120.db2.gz HKDLLORBOHTBRF-UHFFFAOYSA-N 1 2 361.486 2.590 20 30 FFEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3cccc(C#N)n3)CC2)cs1 ZINC000267808563 509623883 /nfs/dbraw/zinc/62/38/83/509623883.db2.gz SJKSSYPOFVTRPB-CQSZACIVSA-N 1 2 357.483 2.829 20 30 FFEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3cccc(C#N)n3)CC2)cs1 ZINC000267808563 509623886 /nfs/dbraw/zinc/62/38/86/509623886.db2.gz SJKSSYPOFVTRPB-CQSZACIVSA-N 1 2 357.483 2.829 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccn(CCC#N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189660666 509687917 /nfs/dbraw/zinc/68/79/17/509687917.db2.gz SSIHEUWGYRORNI-WBVHZDCISA-N 1 2 374.395 2.642 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccn(CCC#N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189660666 509687924 /nfs/dbraw/zinc/68/79/24/509687924.db2.gz SSIHEUWGYRORNI-WBVHZDCISA-N 1 2 374.395 2.642 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000179990343 509701224 /nfs/dbraw/zinc/70/12/24/509701224.db2.gz UVYZUZCRTJRZFZ-UHFFFAOYSA-N 1 2 355.442 2.649 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000179990343 509701231 /nfs/dbraw/zinc/70/12/31/509701231.db2.gz UVYZUZCRTJRZFZ-UHFFFAOYSA-N 1 2 355.442 2.649 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC000183362601 509740525 /nfs/dbraw/zinc/74/05/25/509740525.db2.gz QWHCEMGSBGIZEJ-SFHVURJKSA-N 1 2 374.437 2.624 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC000183362601 509740533 /nfs/dbraw/zinc/74/05/33/509740533.db2.gz QWHCEMGSBGIZEJ-SFHVURJKSA-N 1 2 374.437 2.624 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249716333 509742961 /nfs/dbraw/zinc/74/29/61/509742961.db2.gz IPWRXSGVCVMLQW-WBVHZDCISA-N 1 2 370.280 2.645 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249716333 509742965 /nfs/dbraw/zinc/74/29/65/509742965.db2.gz IPWRXSGVCVMLQW-WBVHZDCISA-N 1 2 370.280 2.645 20 30 FFEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1O ZINC000189877439 509804203 /nfs/dbraw/zinc/80/42/03/509804203.db2.gz AVNOOMQTHPFFHK-UHFFFAOYSA-N 1 2 355.825 2.875 20 30 FFEDLO COC(=O)c1cc(C[N@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)oc1C ZINC000176994991 509807749 /nfs/dbraw/zinc/80/77/49/509807749.db2.gz AFQVVMYYPCYDML-OAHLLOKOSA-N 1 2 373.434 2.545 20 30 FFEDLO COC(=O)c1cc(C[N@@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)oc1C ZINC000176994991 509807757 /nfs/dbraw/zinc/80/77/57/509807757.db2.gz AFQVVMYYPCYDML-OAHLLOKOSA-N 1 2 373.434 2.545 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC3CCSCC3)CC2)cc1 ZINC000265003817 509818989 /nfs/dbraw/zinc/81/89/89/509818989.db2.gz JMPCZCGPTNWXJR-UHFFFAOYSA-N 1 2 358.511 2.529 20 30 FFEDLO N#Cc1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2F)c1 ZINC000173908198 509848598 /nfs/dbraw/zinc/84/85/98/509848598.db2.gz ZXIPNAHSTDMIGL-OAHLLOKOSA-N 1 2 362.202 2.776 20 30 FFEDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180313145 509863749 /nfs/dbraw/zinc/86/37/49/509863749.db2.gz JKBMMILIDDJUPD-UHFFFAOYSA-N 1 2 352.847 2.543 20 30 FFEDLO Cc1ncc(C[NH+]2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)s1 ZINC000180372648 509891052 /nfs/dbraw/zinc/89/10/52/509891052.db2.gz DWDVTGDSMZXMRE-UHFFFAOYSA-N 1 2 366.490 2.965 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000245404923 509909318 /nfs/dbraw/zinc/90/93/18/509909318.db2.gz RBXZVHBTICTSII-UZLBHIALSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000245404923 509909327 /nfs/dbraw/zinc/90/93/27/509909327.db2.gz RBXZVHBTICTSII-UZLBHIALSA-N 1 2 356.397 2.511 20 30 FFEDLO CO[C@]1(C)C[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1(C)C ZINC000174037361 509917454 /nfs/dbraw/zinc/91/74/54/509917454.db2.gz RJTFCRNEYOFVPL-IIBYNOLFSA-N 1 2 368.481 2.850 20 30 FFEDLO CCO[C@H](C)c1noc(CN2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000174047444 509923552 /nfs/dbraw/zinc/92/35/52/509923552.db2.gz OABBCBOXXNTAHH-HZPDHXFCSA-N 1 2 369.469 2.918 20 30 FFEDLO COc1ccc(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1O ZINC000177225630 509946830 /nfs/dbraw/zinc/94/68/30/509946830.db2.gz IDXDHRDPMHIMPU-UHFFFAOYSA-N 1 2 350.378 2.954 20 30 FFEDLO COc1ccc(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1O ZINC000177225630 509946840 /nfs/dbraw/zinc/94/68/40/509946840.db2.gz IDXDHRDPMHIMPU-UHFFFAOYSA-N 1 2 350.378 2.954 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000177276655 509973866 /nfs/dbraw/zinc/97/38/66/509973866.db2.gz MNXWHAUQUCJYFS-IUODEOHRSA-N 1 2 362.417 2.650 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000177276655 509973872 /nfs/dbraw/zinc/97/38/72/509973872.db2.gz MNXWHAUQUCJYFS-IUODEOHRSA-N 1 2 362.417 2.650 20 30 FFEDLO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@@H](C)C#N ZINC000183814808 509988836 /nfs/dbraw/zinc/98/88/36/509988836.db2.gz JVGHHJFFKYAFEE-LBPRGKRZSA-N 1 2 369.259 2.949 20 30 FFEDLO CO/N=C/c1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1 ZINC000265338692 510000031 /nfs/dbraw/zinc/00/00/31/510000031.db2.gz UUKZZCOFTQGDJV-CAUNFOBBSA-N 1 2 352.438 2.581 20 30 FFEDLO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(F)c(C#N)c1 ZINC000177503412 510100558 /nfs/dbraw/zinc/10/05/58/510100558.db2.gz QCMMCCGYDYBSSV-UHFFFAOYSA-N 1 2 369.396 2.929 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(F)c(C#N)c1 ZINC000177503412 510100562 /nfs/dbraw/zinc/10/05/62/510100562.db2.gz QCMMCCGYDYBSSV-UHFFFAOYSA-N 1 2 369.396 2.929 20 30 FFEDLO CCc1cccc(CC)c1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000177507529 510104228 /nfs/dbraw/zinc/10/42/28/510104228.db2.gz HMURWGDUKFCIDU-UHFFFAOYSA-N 1 2 358.486 2.891 20 30 FFEDLO N#CCOc1ccccc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000193925098 510130886 /nfs/dbraw/zinc/13/08/86/510130886.db2.gz KLRLBMFFQWLPAO-UHFFFAOYSA-N 1 2 350.353 2.844 20 30 FFEDLO N#CCCCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000171474899 510180828 /nfs/dbraw/zinc/18/08/28/510180828.db2.gz DHAIGLLTWULRFZ-UHFFFAOYSA-N 1 2 353.426 2.511 20 30 FFEDLO C[C@H](c1ccco1)[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245878399 510183350 /nfs/dbraw/zinc/18/33/50/510183350.db2.gz MZTCYBWNXMAEQQ-HZPDHXFCSA-N 1 2 372.494 2.743 20 30 FFEDLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245878399 510183353 /nfs/dbraw/zinc/18/33/53/510183353.db2.gz MZTCYBWNXMAEQQ-HZPDHXFCSA-N 1 2 372.494 2.743 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190530497 510187451 /nfs/dbraw/zinc/18/74/51/510187451.db2.gz QXVBDXLPTCFRIR-CQSZACIVSA-N 1 2 368.412 2.963 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000246055385 510266406 /nfs/dbraw/zinc/26/64/06/510266406.db2.gz XTGFJKAWTKEFCV-WOJBJXKFSA-N 1 2 352.434 2.891 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000246055385 510266412 /nfs/dbraw/zinc/26/64/12/510266412.db2.gz XTGFJKAWTKEFCV-WOJBJXKFSA-N 1 2 352.434 2.891 20 30 FFEDLO C#CCOc1ccc(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000265869858 510272679 /nfs/dbraw/zinc/27/26/79/510272679.db2.gz GNGQLTYSILVARK-UHFFFAOYSA-N 1 2 351.328 2.730 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1Oc1ccccc1C#N ZINC000181367591 510376129 /nfs/dbraw/zinc/37/61/29/510376129.db2.gz GGEBPXGYFLJEMG-INIZCTEOSA-N 1 2 365.433 2.801 20 30 FFEDLO CCCCNC(=O)[C@@H](C)O[NH+]=C(N)c1cccc(OCc2cccnc2)c1 ZINC000178155873 510460838 /nfs/dbraw/zinc/46/08/38/510460838.db2.gz FUMOWRBHCXCBHO-OAHLLOKOSA-N 1 2 370.453 2.602 20 30 FFEDLO CC[C@@H](C)NC(=O)[C@H](C)O[NH+]=C(N)c1cccc(OCc2cccnc2)c1 ZINC000178155785 510461027 /nfs/dbraw/zinc/46/10/27/510461027.db2.gz GYFKGIYDQGWREG-CABCVRRESA-N 1 2 370.453 2.601 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000266640491 510703241 /nfs/dbraw/zinc/70/32/41/510703241.db2.gz UJYRAWYIIHLHRN-LSDHHAIUSA-N 1 2 370.453 2.985 20 30 FFEDLO Cn1cc(C#N)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246994789 510787856 /nfs/dbraw/zinc/78/78/56/510787856.db2.gz UBCWESMIWIUZTC-WBVHZDCISA-N 1 2 360.820 2.864 20 30 FFEDLO Cn1cc(C#N)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246994789 510787859 /nfs/dbraw/zinc/78/78/59/510787859.db2.gz UBCWESMIWIUZTC-WBVHZDCISA-N 1 2 360.820 2.864 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c(C#N)c1C ZINC000247027576 510806479 /nfs/dbraw/zinc/80/64/79/510806479.db2.gz MEBGCVBYTZCULR-WHDAMIPWSA-N 1 2 373.478 2.965 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)c(C#N)c1C ZINC000247027576 510806482 /nfs/dbraw/zinc/80/64/82/510806482.db2.gz MEBGCVBYTZCULR-WHDAMIPWSA-N 1 2 373.478 2.965 20 30 FFEDLO C[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)[NH+]1CCN(C)CC1 ZINC000263732933 510817193 /nfs/dbraw/zinc/81/71/93/510817193.db2.gz HHEURYTXOQBENU-QGZVFWFLSA-N 1 2 362.477 2.591 20 30 FFEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nc(Cc2ccccc2)no1 ZINC000185376868 510827739 /nfs/dbraw/zinc/82/77/39/510827739.db2.gz NTYMTAWQDCTICB-OAHLLOKOSA-N 1 2 367.453 2.654 20 30 FFEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000247622174 510867254 /nfs/dbraw/zinc/86/72/54/510867254.db2.gz NGZHILPTFPTIAU-BLLLJJGKSA-N 1 2 364.858 2.680 20 30 FFEDLO C[C@H]1C(=O)NCCC[N@H+]1CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000329934567 510881288 /nfs/dbraw/zinc/88/12/88/510881288.db2.gz JWRXSEDTHOLCAG-INIZCTEOSA-N 1 2 359.470 2.742 20 30 FFEDLO C[C@H]1C(=O)NCCC[N@@H+]1CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000329934567 510881294 /nfs/dbraw/zinc/88/12/94/510881294.db2.gz JWRXSEDTHOLCAG-INIZCTEOSA-N 1 2 359.470 2.742 20 30 FFEDLO C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)C[C@@H]1C ZINC000329988257 510895263 /nfs/dbraw/zinc/89/52/63/510895263.db2.gz UCVYNOLDLTUNPV-XAJHFOFHSA-N 1 2 365.497 2.661 20 30 FFEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1coc2cc(F)ccc12 ZINC000330026272 510902781 /nfs/dbraw/zinc/90/27/81/510902781.db2.gz LHLGXEUDYKILOJ-UHFFFAOYSA-N 1 2 373.428 2.821 20 30 FFEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)C1 ZINC000330065861 510910097 /nfs/dbraw/zinc/91/00/97/510910097.db2.gz SKIONEOOKCXMOJ-WNRNVDISSA-N 1 2 357.502 2.866 20 30 FFEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)C1 ZINC000330065861 510910103 /nfs/dbraw/zinc/91/01/03/510910103.db2.gz SKIONEOOKCXMOJ-WNRNVDISSA-N 1 2 357.502 2.866 20 30 FFEDLO C[C@@H]1CN(c2ccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)cn2)C[C@@H](C)O1 ZINC000330090078 510913564 /nfs/dbraw/zinc/91/35/64/510913564.db2.gz PEKCPTHASAHIOU-KFWWJZLASA-N 1 2 355.442 2.742 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)n1 ZINC000293981534 510918109 /nfs/dbraw/zinc/91/81/09/510918109.db2.gz DVFGFZRDEZBDQR-OXQOHEQNSA-N 1 2 368.456 2.839 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)n1 ZINC000293981534 510918113 /nfs/dbraw/zinc/91/81/13/510918113.db2.gz DVFGFZRDEZBDQR-OXQOHEQNSA-N 1 2 368.456 2.839 20 30 FFEDLO Cc1ccn2cc(CNC(=O)N[C@@H]3CCO[C@@]4(CCSC4)C3)[nH+]c2c1 ZINC000330223335 510941390 /nfs/dbraw/zinc/94/13/90/510941390.db2.gz SGEBTTZEPKIPGL-KDOFPFPSSA-N 1 2 360.483 2.701 20 30 FFEDLO Cc1nccc(NC(=O)N2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)n1 ZINC000330268121 510952574 /nfs/dbraw/zinc/95/25/74/510952574.db2.gz IMFLFWWWAYZPGE-AWEZNQCLSA-N 1 2 372.498 2.774 20 30 FFEDLO Cc1nccc(NC(=O)N2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)n1 ZINC000330268121 510952577 /nfs/dbraw/zinc/95/25/77/510952577.db2.gz IMFLFWWWAYZPGE-AWEZNQCLSA-N 1 2 372.498 2.774 20 30 FFEDLO Cc1cnc([C@H](C)[NH+]2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)cn1 ZINC000330299952 510960248 /nfs/dbraw/zinc/96/02/48/510960248.db2.gz IGIWQROUMLUUCH-BPQIPLTHSA-N 1 2 359.518 2.999 20 30 FFEDLO Cc1cnc([C@H](C)N2CC[NH+](CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)cn1 ZINC000330299952 510960253 /nfs/dbraw/zinc/96/02/53/510960253.db2.gz IGIWQROUMLUUCH-BPQIPLTHSA-N 1 2 359.518 2.999 20 30 FFEDLO CCN1CCN(C(=O)Nc2ccccc2N2CCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330307177 510961318 /nfs/dbraw/zinc/96/13/18/510961318.db2.gz RYJLJDJMLSXVQG-SFHVURJKSA-N 1 2 368.485 2.934 20 30 FFEDLO CC(=O)Nc1cccc(NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c1C ZINC000330337757 510968384 /nfs/dbraw/zinc/96/83/84/510968384.db2.gz UJPKTMATYPBDAU-KRWDZBQOSA-N 1 2 370.457 2.871 20 30 FFEDLO CCN1CCN(C(=O)N[C@@H]2CCC[C@H](SC)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330336150 510968517 /nfs/dbraw/zinc/96/85/17/510968517.db2.gz SEGZOQDTSVXAFB-QLFBSQMISA-N 1 2 351.520 2.677 20 30 FFEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1nc(Cc2cccc(F)c2)no1 ZINC000278260288 510986528 /nfs/dbraw/zinc/98/65/28/510986528.db2.gz NSZSKFHBUNKAAQ-LBPRGKRZSA-N 1 2 350.394 2.649 20 30 FFEDLO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)(C)C)C2)no1 ZINC000330500435 510987651 /nfs/dbraw/zinc/98/76/51/510987651.db2.gz OUGJQXCYSVCWCU-CHWSQXEVSA-N 1 2 365.478 2.590 20 30 FFEDLO CC(C)c1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)NC(=O)NC(C)(C)C)C2)no1 ZINC000330500435 510987656 /nfs/dbraw/zinc/98/76/56/510987656.db2.gz OUGJQXCYSVCWCU-CHWSQXEVSA-N 1 2 365.478 2.590 20 30 FFEDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000297572041 510995827 /nfs/dbraw/zinc/99/58/27/510995827.db2.gz YNLBZERDTSVFMX-UHFFFAOYSA-N 1 2 373.482 2.601 20 30 FFEDLO C[C@H](NC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)c1ccc(Cl)s1 ZINC000331242303 511053369 /nfs/dbraw/zinc/05/33/69/511053369.db2.gz NNDXWPWPVVITCA-QWRGUYRKSA-N 1 2 374.894 2.544 20 30 FFEDLO C[C@H](NC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1)c1ccc(Cl)s1 ZINC000331242303 511053372 /nfs/dbraw/zinc/05/33/72/511053372.db2.gz NNDXWPWPVVITCA-QWRGUYRKSA-N 1 2 374.894 2.544 20 30 FFEDLO CCOC(=O)[C@]1(COC)CCCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000331331096 511061836 /nfs/dbraw/zinc/06/18/36/511061836.db2.gz OPBCOFHLKNZDAU-LJQANCHMSA-N 1 2 363.458 2.844 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332583726 511085517 /nfs/dbraw/zinc/08/55/17/511085517.db2.gz GVALAMASRMZBOC-OIISXLGYSA-N 1 2 374.510 2.875 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332583726 511085521 /nfs/dbraw/zinc/08/55/21/511085521.db2.gz GVALAMASRMZBOC-OIISXLGYSA-N 1 2 374.510 2.875 20 30 FFEDLO C#CCn1ccc(CN(CC)Cc2c[nH+]c3ccc(Br)cn23)n1 ZINC000279469867 511094536 /nfs/dbraw/zinc/09/45/36/511094536.db2.gz VKUIEDYJGOUIIU-UHFFFAOYSA-N 1 2 372.270 2.949 20 30 FFEDLO C=CCC[C@H](NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000289254177 511097177 /nfs/dbraw/zinc/09/71/77/511097177.db2.gz FYPXKEDIZRHJIB-SFHVURJKSA-N 1 2 366.465 2.939 20 30 FFEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289892107 511120146 /nfs/dbraw/zinc/12/01/46/511120146.db2.gz MKUNXFBBSPCREA-SECBINFHSA-N 1 2 359.167 2.791 20 30 FFEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289892107 511120152 /nfs/dbraw/zinc/12/01/52/511120152.db2.gz MKUNXFBBSPCREA-SECBINFHSA-N 1 2 359.167 2.791 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2nc3ccccc3cc2Br)CC1 ZINC000289967837 511123335 /nfs/dbraw/zinc/12/33/35/511123335.db2.gz BOVNHDHBGWMUCC-UHFFFAOYSA-N 1 2 372.266 2.778 20 30 FFEDLO C=CCOc1cccc(C[NH+]2CCC(C(=O)OCC)([S@@](C)=O)CC2)c1 ZINC000294816944 511187759 /nfs/dbraw/zinc/18/77/59/511187759.db2.gz OMZSUBRRNHZYSQ-RUZDIDTESA-N 1 2 365.495 2.528 20 30 FFEDLO CC1(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCC(=O)CC1 ZINC000333373271 511222011 /nfs/dbraw/zinc/22/20/11/511222011.db2.gz ZXWXRCRQVONIGZ-UHFFFAOYSA-N 1 2 353.466 2.742 20 30 FFEDLO CC1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCC(=O)CC1 ZINC000333373271 511222018 /nfs/dbraw/zinc/22/20/18/511222018.db2.gz ZXWXRCRQVONIGZ-UHFFFAOYSA-N 1 2 353.466 2.742 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N(C)Cc2cccc(F)c2)n1 ZINC000279824948 511230517 /nfs/dbraw/zinc/23/05/17/511230517.db2.gz YXQUJWLMMOHBHS-MRXNPFEDSA-N 1 2 356.445 2.524 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N(C)Cc2cccc(F)c2)n1 ZINC000279824948 511230523 /nfs/dbraw/zinc/23/05/23/511230523.db2.gz YXQUJWLMMOHBHS-MRXNPFEDSA-N 1 2 356.445 2.524 20 30 FFEDLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)C[C@H](C)C#N ZINC000294989455 511245486 /nfs/dbraw/zinc/24/54/86/511245486.db2.gz XZFMMXHPSJRSBO-NEPJUHHUSA-N 1 2 368.275 2.554 20 30 FFEDLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+](C)C[C@H](C)C#N ZINC000294989455 511245490 /nfs/dbraw/zinc/24/54/90/511245490.db2.gz XZFMMXHPSJRSBO-NEPJUHHUSA-N 1 2 368.275 2.554 20 30 FFEDLO CC(=O)Nc1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1 ZINC000291654370 511283603 /nfs/dbraw/zinc/28/36/03/511283603.db2.gz UWGZHNQJSXQARN-UHFFFAOYSA-N 1 2 355.467 2.604 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[C@@H](CC#N)C3)CC2)cc1 ZINC000298545688 511323859 /nfs/dbraw/zinc/32/38/59/511323859.db2.gz XELCCBWFAJYQEG-HKUYNNGSSA-N 1 2 370.497 2.995 20 30 FFEDLO N#CCc1ccc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000271876895 511355936 /nfs/dbraw/zinc/35/59/36/511355936.db2.gz ZMINNCPUYNYMMK-HXUWFJFHSA-N 1 2 350.418 2.697 20 30 FFEDLO N#CCc1ccc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000271876895 511355942 /nfs/dbraw/zinc/35/59/42/511355942.db2.gz ZMINNCPUYNYMMK-HXUWFJFHSA-N 1 2 350.418 2.697 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c(C#N)c1C ZINC000291880833 511376315 /nfs/dbraw/zinc/37/63/15/511376315.db2.gz QFFVOOFALDWUFC-BTYIYWSLSA-N 1 2 367.449 2.731 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@](CO)(c3ccccc3)C2)c(C#N)c1C ZINC000291880833 511376320 /nfs/dbraw/zinc/37/63/20/511376320.db2.gz QFFVOOFALDWUFC-BTYIYWSLSA-N 1 2 367.449 2.731 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000280281531 511405129 /nfs/dbraw/zinc/40/51/29/511405129.db2.gz PIYFGCFIXKBILD-YQVWRLOYSA-N 1 2 371.481 2.643 20 30 FFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365405591 511431182 /nfs/dbraw/zinc/43/11/82/511431182.db2.gz SSGBUWRELXOYDR-BQIYRTECSA-N 1 2 371.529 2.971 20 30 FFEDLO CO[C@H]1CCC[C@@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000280362864 511437146 /nfs/dbraw/zinc/43/71/46/511437146.db2.gz UVKUYMJOTLIFDY-UXHICEINSA-N 1 2 355.482 2.798 20 30 FFEDLO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000283729509 511478027 /nfs/dbraw/zinc/47/80/27/511478027.db2.gz YOPOFIPBERLGHD-HNNXBMFYSA-N 1 2 358.490 2.986 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)CC1 ZINC000272582496 511499659 /nfs/dbraw/zinc/49/96/59/511499659.db2.gz OKWNOUUGPAPHFG-UHFFFAOYSA-N 1 2 361.417 2.869 20 30 FFEDLO CC[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1nc(C(F)(F)F)cs1 ZINC000273358350 511523273 /nfs/dbraw/zinc/52/32/73/511523273.db2.gz ZPJZXHWOBKJLFK-LLVKDONJSA-N 1 2 373.404 2.859 20 30 FFEDLO CCCN1C(=O)CC[C@@H](C(=O)Oc2ccc(C#N)cc2)[C@@H]1c1c[nH+]cn1C ZINC000365584522 511543339 /nfs/dbraw/zinc/54/33/39/511543339.db2.gz FCAZICACVCYLCR-VQIMIIECSA-N 1 2 366.421 2.587 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCC(F)(F)C3)CC2)cc1 ZINC000280768356 511595770 /nfs/dbraw/zinc/59/57/70/511595770.db2.gz RETPRFKYNPFGFG-QGZVFWFLSA-N 1 2 362.424 2.821 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1nnc(C)s1 ZINC000273757571 511598906 /nfs/dbraw/zinc/59/89/06/511598906.db2.gz XVGBQGZOHOBWCW-CHWSQXEVSA-N 1 2 373.482 2.841 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)NCc2ccc(OCC#N)cc2)CC1(C)C ZINC000296268752 511678718 /nfs/dbraw/zinc/67/87/18/511678718.db2.gz HKCCCCNXJKGUTL-INIZCTEOSA-N 1 2 353.426 2.615 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c(C#N)c1C ZINC000281114813 511725803 /nfs/dbraw/zinc/72/58/03/511725803.db2.gz XADNZPIQPPLQAV-MRXNPFEDSA-N 1 2 370.478 2.861 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](OCc3ccncc3)C2)c(C#N)c1C ZINC000281114813 511725810 /nfs/dbraw/zinc/72/58/10/511725810.db2.gz XADNZPIQPPLQAV-MRXNPFEDSA-N 1 2 370.478 2.861 20 30 FFEDLO CCn1cc[nH+]c1CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000296449614 511747175 /nfs/dbraw/zinc/74/71/75/511747175.db2.gz LPPYESBZMRKMBZ-UHFFFAOYSA-N 1 2 350.344 2.773 20 30 FFEDLO Cc1cn2cc(NC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)ccc2[nH+]1 ZINC000292926464 511775187 /nfs/dbraw/zinc/77/51/87/511775187.db2.gz MDERWQAAMHUIMI-MRXNPFEDSA-N 1 2 362.393 2.595 20 30 FFEDLO N#Cc1cccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000311795488 511779768 /nfs/dbraw/zinc/77/97/68/511779768.db2.gz RZGJFYLFVYQQCA-QGZVFWFLSA-N 1 2 352.394 2.779 20 30 FFEDLO N#Cc1cccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000311795488 511779771 /nfs/dbraw/zinc/77/97/71/511779771.db2.gz RZGJFYLFVYQQCA-QGZVFWFLSA-N 1 2 352.394 2.779 20 30 FFEDLO C#CCCCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1[nH+]ccn1C ZINC000284609688 511792118 /nfs/dbraw/zinc/79/21/18/511792118.db2.gz TXGSAFGMBJPLIB-MRXNPFEDSA-N 1 2 374.485 2.734 20 30 FFEDLO C=CCN1CC[C@H](N(C)C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1=O ZINC000281302336 511796345 /nfs/dbraw/zinc/79/63/45/511796345.db2.gz JAGLUPBFMUFKFA-SFHVURJKSA-N 1 2 351.406 2.733 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNc3cc(C#N)ccc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000274366450 511810569 /nfs/dbraw/zinc/81/05/69/511810569.db2.gz XJNNXUQPOWRUFW-CYBMUJFWSA-N 1 2 353.382 2.699 20 30 FFEDLO N#Cc1cc(Br)cnc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000296633438 511829721 /nfs/dbraw/zinc/82/97/21/511829721.db2.gz VVZFANOXRNKTSR-UHFFFAOYSA-N 1 2 374.242 2.559 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000281409497 511837693 /nfs/dbraw/zinc/83/76/93/511837693.db2.gz MVFOBJZGUOHVEP-HKUYNNGSSA-N 1 2 354.454 2.712 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C1CCN(c3cnccn3)CC1)CCC2 ZINC000328644137 511905545 /nfs/dbraw/zinc/90/55/45/511905545.db2.gz FTWFZIARYMBCMU-INIZCTEOSA-N 1 2 354.458 2.732 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC1CCC(c3nc(C)no3)CC1)CCC2 ZINC000328651137 511907715 /nfs/dbraw/zinc/90/77/15/511907715.db2.gz JPJKKRIZBCCNFA-HWOWSKLDSA-N 1 2 372.473 2.990 20 30 FFEDLO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1cn2c(n1)CCCC2 ZINC000328733471 511922612 /nfs/dbraw/zinc/92/26/12/511922612.db2.gz XZTWKJPXAQODHU-KRWDZBQOSA-N 1 2 354.454 2.598 20 30 FFEDLO CC[C@@H]1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C[C@@H]1O ZINC000328878356 511943829 /nfs/dbraw/zinc/94/38/29/511943829.db2.gz JCIRPPDUVADHHM-GUTXKFCHSA-N 1 2 352.504 2.623 20 30 FFEDLO CC[C@@H]1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C[C@@H]1O ZINC000328878356 511943834 /nfs/dbraw/zinc/94/38/34/511943834.db2.gz JCIRPPDUVADHHM-GUTXKFCHSA-N 1 2 352.504 2.623 20 30 FFEDLO CC(C)(C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1cccs1 ZINC000328905729 511949071 /nfs/dbraw/zinc/94/90/71/511949071.db2.gz AZCIRPIEIXPAJJ-UHFFFAOYSA-N 1 2 363.527 2.927 20 30 FFEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000328942173 511953994 /nfs/dbraw/zinc/95/39/94/511953994.db2.gz LFWXTQZPHWCNTK-UKRRQHHQSA-N 1 2 359.474 2.792 20 30 FFEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000328942173 511953996 /nfs/dbraw/zinc/95/39/96/511953996.db2.gz LFWXTQZPHWCNTK-UKRRQHHQSA-N 1 2 359.474 2.792 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)CC[C@@H]21 ZINC000328987912 511961837 /nfs/dbraw/zinc/96/18/37/511961837.db2.gz CFOCQWSDLBADKC-HMDCTGQHSA-N 1 2 350.507 2.849 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)CC[C@@H]21 ZINC000328987912 511961844 /nfs/dbraw/zinc/96/18/44/511961844.db2.gz CFOCQWSDLBADKC-HMDCTGQHSA-N 1 2 350.507 2.849 20 30 FFEDLO C=CCC(C)(C)CNC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000293442007 511967268 /nfs/dbraw/zinc/96/72/68/511967268.db2.gz RGACEYXRBRTAJH-MRXNPFEDSA-N 1 2 373.497 2.737 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)c1cccnc1 ZINC000329052707 511974570 /nfs/dbraw/zinc/97/45/70/511974570.db2.gz LGYSQLAGWDTVDR-VVFCZOMOSA-N 1 2 367.453 2.770 20 30 FFEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000281820221 511978235 /nfs/dbraw/zinc/97/82/35/511978235.db2.gz PEHWBFWNUUGXTA-IEBWSBKVSA-N 1 2 358.486 2.852 20 30 FFEDLO Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)c(C)c1 ZINC000329086590 511980280 /nfs/dbraw/zinc/98/02/80/511980280.db2.gz UVZWAJNVEIYDRH-OAQYLSRUSA-N 1 2 360.498 2.992 20 30 FFEDLO Cc1cc(C)c(CCNC(=O)C[N@H+]2CCO[C@]3(CCCOC3)C2)c(C)c1 ZINC000329086590 511980288 /nfs/dbraw/zinc/98/02/88/511980288.db2.gz UVZWAJNVEIYDRH-OAQYLSRUSA-N 1 2 360.498 2.992 20 30 FFEDLO C[C@H](CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)NC(=O)C1CCCCC1 ZINC000329110124 511984475 /nfs/dbraw/zinc/98/44/75/511984475.db2.gz JFDQFNIDMWMVPE-SOLBZPMBSA-N 1 2 365.518 2.623 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1CCc1nc(Cc2ccc[nH+]c2C)no1 ZINC000351240872 511995829 /nfs/dbraw/zinc/99/58/29/511995829.db2.gz OILJBKULZFARNY-UHFFFAOYSA-N 1 2 350.426 2.876 20 30 FFEDLO CO[C@@H]1[C@H](C)[C@@H](NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)C1(C)C ZINC000329172542 511998523 /nfs/dbraw/zinc/99/85/23/511998523.db2.gz AGZXGRRWSIVHCT-FVQBIDKESA-N 1 2 366.531 2.624 20 30 FFEDLO CO[C@@H]1[C@H](C)[C@@H](NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)C1(C)C ZINC000329172542 511998526 /nfs/dbraw/zinc/99/85/26/511998526.db2.gz AGZXGRRWSIVHCT-FVQBIDKESA-N 1 2 366.531 2.624 20 30 FFEDLO Cn1cc2c(n1)CCC[C@@H]2C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000329242567 512011827 /nfs/dbraw/zinc/01/18/27/512011827.db2.gz SJYODOAAEKWBSA-FXAWDEMLSA-N 1 2 368.481 2.870 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)C1=O ZINC000281927962 512014836 /nfs/dbraw/zinc/01/48/36/512014836.db2.gz HVKJRXOGEFNKQT-CVEARBPZSA-N 1 2 365.271 2.609 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)C1=O ZINC000281927962 512014844 /nfs/dbraw/zinc/01/48/44/512014844.db2.gz HVKJRXOGEFNKQT-CVEARBPZSA-N 1 2 365.271 2.609 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1C#N ZINC000366424083 512015697 /nfs/dbraw/zinc/01/56/97/512015697.db2.gz GEXBRVGVOALYSD-BWTSREIZSA-N 1 2 370.497 2.590 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1C#N ZINC000366424083 512015702 /nfs/dbraw/zinc/01/57/02/512015702.db2.gz GEXBRVGVOALYSD-BWTSREIZSA-N 1 2 370.497 2.590 20 30 FFEDLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000275031094 512021500 /nfs/dbraw/zinc/02/15/00/512021500.db2.gz SKANVJDONUXJHQ-LLVKDONJSA-N 1 2 372.416 2.617 20 30 FFEDLO O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N1CCn2cc[nH+]c2C1 ZINC000329324508 512027248 /nfs/dbraw/zinc/02/72/48/512027248.db2.gz SLGZWJPFNIYJCF-ZBFHGGJFSA-N 1 2 364.808 2.935 20 30 FFEDLO C[C@@H]1C[C@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)CC(=O)N1 ZINC000329334516 512029448 /nfs/dbraw/zinc/02/94/48/512029448.db2.gz KSYGSOBZWJNUPJ-HZSPNIEDSA-N 1 2 351.472 2.833 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CN3CCC(=O)NC3=O)n2)C1 ZINC000329421860 512042704 /nfs/dbraw/zinc/04/27/04/512042704.db2.gz FMGFDOUVERUARF-LLVKDONJSA-N 1 2 365.459 2.745 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CN3CCC(=O)NC3=O)n2)C1 ZINC000329421860 512042714 /nfs/dbraw/zinc/04/27/14/512042714.db2.gz FMGFDOUVERUARF-LLVKDONJSA-N 1 2 365.459 2.745 20 30 FFEDLO O=C(NCCOc1ncc(Cl)cc1Cl)C1([NH+]2CCOCC2)CCC1 ZINC000329443988 512047095 /nfs/dbraw/zinc/04/70/95/512047095.db2.gz KOGPUINOJMWDGG-UHFFFAOYSA-N 1 2 374.268 2.979 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2CO)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329448868 512048904 /nfs/dbraw/zinc/04/89/04/512048904.db2.gz LPKKRVFGJPROHB-ISTRZQFTSA-N 1 2 371.403 2.610 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2CO)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329448868 512048911 /nfs/dbraw/zinc/04/89/11/512048911.db2.gz LPKKRVFGJPROHB-ISTRZQFTSA-N 1 2 371.403 2.610 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](Cc2nc3ccccc3c(=O)[nH]2)[C@H](C)CC)C1=O ZINC000282031599 512052777 /nfs/dbraw/zinc/05/27/77/512052777.db2.gz QDGNUVNTPLNZLW-RHSMWYFYSA-N 1 2 354.454 2.723 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](Cc2nc3ccccc3c(=O)[nH]2)[C@H](C)CC)C1=O ZINC000282031599 512052785 /nfs/dbraw/zinc/05/27/85/512052785.db2.gz QDGNUVNTPLNZLW-RHSMWYFYSA-N 1 2 354.454 2.723 20 30 FFEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000329506465 512059379 /nfs/dbraw/zinc/05/93/79/512059379.db2.gz ZPJZLLHJEFANHC-RDJZCZTQSA-N 1 2 374.485 2.744 20 30 FFEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCSC[C@H]1C)C1CCOCC1 ZINC000329502227 512059880 /nfs/dbraw/zinc/05/98/80/512059880.db2.gz WFQNJLDCGCHIHU-UKRRQHHQSA-N 1 2 352.504 2.722 20 30 FFEDLO O=C(C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2)NCC1CC1 ZINC000329556218 512069385 /nfs/dbraw/zinc/06/93/85/512069385.db2.gz HGLAPTCHOXAPRE-QGZVFWFLSA-N 1 2 357.454 2.781 20 30 FFEDLO O=C(C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2)NCC1CC1 ZINC000329556218 512069392 /nfs/dbraw/zinc/06/93/92/512069392.db2.gz HGLAPTCHOXAPRE-QGZVFWFLSA-N 1 2 357.454 2.781 20 30 FFEDLO O=C1C[C@@H](c2ccccc2)N(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CCN1 ZINC000329751152 512092922 /nfs/dbraw/zinc/09/29/22/512092922.db2.gz VKVWRUDHWXBMNO-PBHICJAKSA-N 1 2 353.426 2.585 20 30 FFEDLO O=C1C[C@@H](c2ccccc2)N(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CCN1 ZINC000329751152 512092924 /nfs/dbraw/zinc/09/29/24/512092924.db2.gz VKVWRUDHWXBMNO-PBHICJAKSA-N 1 2 353.426 2.585 20 30 FFEDLO CC(C)[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CCS1 ZINC000329828067 512102561 /nfs/dbraw/zinc/10/25/61/512102561.db2.gz RRXDPHIJIHOQNF-HNNXBMFYSA-N 1 2 361.467 2.574 20 30 FFEDLO CC(C)[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CCS1 ZINC000329828067 512102565 /nfs/dbraw/zinc/10/25/65/512102565.db2.gz RRXDPHIJIHOQNF-HNNXBMFYSA-N 1 2 361.467 2.574 20 30 FFEDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329837301 512103248 /nfs/dbraw/zinc/10/32/48/512103248.db2.gz VKZJKAVTQBQHFW-OKZBNKHCSA-N 1 2 358.486 2.891 20 30 FFEDLO CCC[C@@H]1CCCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000329853569 512104218 /nfs/dbraw/zinc/10/42/18/512104218.db2.gz SCXHOGBQPIOJIC-MRXNPFEDSA-N 1 2 373.501 2.527 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC2CCC(C)(C)CC2)cn1 ZINC000329892836 512105686 /nfs/dbraw/zinc/10/56/86/512105686.db2.gz AGHYDOAAMLVHGD-RDJZCZTQSA-N 1 2 365.497 2.805 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC2CCC(C)(C)CC2)cn1 ZINC000329892836 512105687 /nfs/dbraw/zinc/10/56/87/512105687.db2.gz AGHYDOAAMLVHGD-RDJZCZTQSA-N 1 2 365.497 2.805 20 30 FFEDLO N#CC1(CC[N@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000411424588 512629908 /nfs/dbraw/zinc/62/99/08/512629908.db2.gz WOEAPOCSCQEIPJ-DLBZAZTESA-N 1 2 354.516 2.519 20 30 FFEDLO N#CC1(CC[N@@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000411424588 512629911 /nfs/dbraw/zinc/62/99/11/512629911.db2.gz WOEAPOCSCQEIPJ-DLBZAZTESA-N 1 2 354.516 2.519 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)COCc3cccs3)CCO2)c1 ZINC000376209126 512710796 /nfs/dbraw/zinc/71/07/96/512710796.db2.gz IJYONCANDIEWLV-HKUYNNGSSA-N 1 2 358.463 2.571 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)COCc3cccs3)CCO2)c1 ZINC000376209126 512710801 /nfs/dbraw/zinc/71/08/01/512710801.db2.gz IJYONCANDIEWLV-HKUYNNGSSA-N 1 2 358.463 2.571 20 30 FFEDLO CN(CC1CCCCC1)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374290833 512749625 /nfs/dbraw/zinc/74/96/25/512749625.db2.gz HANNKCBFWVDYBE-UHFFFAOYSA-N 1 2 354.498 2.977 20 30 FFEDLO N#CC1(NC(=O)c2n[nH]c3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000378493635 512788703 /nfs/dbraw/zinc/78/87/03/512788703.db2.gz KOMMRPWCYZMOSE-UHFFFAOYSA-N 1 2 359.433 2.851 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@H](C3CCC3)C2)cc1 ZINC000411864653 512849746 /nfs/dbraw/zinc/84/97/46/512849746.db2.gz SMJNJVQYLLUIEJ-FQEVSTJZSA-N 1 2 371.481 2.833 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@H](C3CCC3)C2)cc1 ZINC000411864653 512849748 /nfs/dbraw/zinc/84/97/48/512849748.db2.gz SMJNJVQYLLUIEJ-FQEVSTJZSA-N 1 2 371.481 2.833 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374562906 512894165 /nfs/dbraw/zinc/89/41/65/512894165.db2.gz REYSVQZGUYXPTO-LJQANCHMSA-N 1 2 355.463 2.584 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374562906 512894169 /nfs/dbraw/zinc/89/41/69/512894169.db2.gz REYSVQZGUYXPTO-LJQANCHMSA-N 1 2 355.463 2.584 20 30 FFEDLO Cc1c2cccc(Cl)c2[nH]c1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000412131787 512972842 /nfs/dbraw/zinc/97/28/42/512972842.db2.gz PNKQDSONZHWTLQ-UHFFFAOYSA-N 1 2 374.872 2.818 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374762740 512989846 /nfs/dbraw/zinc/98/98/46/512989846.db2.gz QNLBSLOLWNJUIS-WBVHZDCISA-N 1 2 362.355 2.869 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374762740 512989850 /nfs/dbraw/zinc/98/98/50/512989850.db2.gz QNLBSLOLWNJUIS-WBVHZDCISA-N 1 2 362.355 2.869 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374762732 512990077 /nfs/dbraw/zinc/99/00/77/512990077.db2.gz QNLBSLOLWNJUIS-DOTOQJQBSA-N 1 2 362.355 2.869 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374762732 512990080 /nfs/dbraw/zinc/99/00/80/512990080.db2.gz QNLBSLOLWNJUIS-DOTOQJQBSA-N 1 2 362.355 2.869 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)c(OC)c1 ZINC000374882804 513054238 /nfs/dbraw/zinc/05/42/38/513054238.db2.gz XNGGVBYOWIQBDN-DLBZAZTESA-N 1 2 357.454 2.724 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2ncc[nH]2)c(OC)c1 ZINC000374882804 513054241 /nfs/dbraw/zinc/05/42/41/513054241.db2.gz XNGGVBYOWIQBDN-DLBZAZTESA-N 1 2 357.454 2.724 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)COc3ccccc3F)CCO2)c1 ZINC000372840995 513069277 /nfs/dbraw/zinc/06/92/77/513069277.db2.gz WIJXZGRGBMPQRV-PXNSSMCTSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3F)CCO2)c1 ZINC000372840995 513069280 /nfs/dbraw/zinc/06/92/80/513069280.db2.gz WIJXZGRGBMPQRV-PXNSSMCTSA-N 1 2 356.397 2.511 20 30 FFEDLO C=CCNc1ncc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)s1 ZINC000370742782 513080496 /nfs/dbraw/zinc/08/04/96/513080496.db2.gz YFXJSDJGIGWGRJ-HNNXBMFYSA-N 1 2 371.441 2.555 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000446059949 513174371 /nfs/dbraw/zinc/17/43/71/513174371.db2.gz GMQYNVKVYNBYQA-YOEHRIQHSA-N 1 2 361.511 2.970 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000446059949 513174378 /nfs/dbraw/zinc/17/43/78/513174378.db2.gz GMQYNVKVYNBYQA-YOEHRIQHSA-N 1 2 361.511 2.970 20 30 FFEDLO C=CCCn1cc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)nn1 ZINC000424606076 513202453 /nfs/dbraw/zinc/20/24/53/513202453.db2.gz JCYLXUCBKPAMNR-UHFFFAOYSA-N 1 2 360.487 2.795 20 30 FFEDLO CC(C)(C)c1cnc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)s1 ZINC000428851276 513208639 /nfs/dbraw/zinc/20/86/39/513208639.db2.gz QVOYZZGOCPPQTF-UHFFFAOYSA-N 1 2 365.503 2.520 20 30 FFEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000428856037 513209853 /nfs/dbraw/zinc/20/98/53/513209853.db2.gz JHCCNCMOJXGZGB-CQSZACIVSA-N 1 2 357.223 2.730 20 30 FFEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000428856037 513209857 /nfs/dbraw/zinc/20/98/57/513209857.db2.gz JHCCNCMOJXGZGB-CQSZACIVSA-N 1 2 357.223 2.730 20 30 FFEDLO C=CCNc1ncc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000412701103 513233358 /nfs/dbraw/zinc/23/33/58/513233358.db2.gz RZMLROKKTMKFME-OAHLLOKOSA-N 1 2 356.495 2.509 20 30 FFEDLO C=CCNc1ncc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000412701103 513233364 /nfs/dbraw/zinc/23/33/64/513233364.db2.gz RZMLROKKTMKFME-OAHLLOKOSA-N 1 2 356.495 2.509 20 30 FFEDLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000429145607 513289934 /nfs/dbraw/zinc/28/99/34/513289934.db2.gz YTWVWIDWQVQXAB-ZDUSSCGKSA-N 1 2 364.852 2.552 20 30 FFEDLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000429145607 513289935 /nfs/dbraw/zinc/28/99/35/513289935.db2.gz YTWVWIDWQVQXAB-ZDUSSCGKSA-N 1 2 364.852 2.552 20 30 FFEDLO CC(C)([NH2+]CC(=O)NCc1cccc(C#N)c1)c1cc(C(F)(F)F)on1 ZINC000429256791 513316757 /nfs/dbraw/zinc/31/67/57/513316757.db2.gz QRXVDXCJALJRQA-UHFFFAOYSA-N 1 2 366.343 2.706 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c1Cl ZINC000450746887 513323286 /nfs/dbraw/zinc/32/32/86/513323286.db2.gz LPTRQRITKKXQCZ-UHFFFAOYSA-N 1 2 370.840 2.715 20 30 FFEDLO Cc1nc(NCc2cccc(C(=O)N3CCCC(C)(C)[C@H]3C#N)c2)cc[nH+]1 ZINC000434444760 513325058 /nfs/dbraw/zinc/32/50/58/513325058.db2.gz FECKFJAADBPMLP-GOSISDBHSA-N 1 2 363.465 2.973 20 30 FFEDLO N#Cc1cccc(NC(=O)C[S@@](=O)Cc2[nH+]ccn2-c2ccccc2)c1 ZINC000434623505 513371641 /nfs/dbraw/zinc/37/16/41/513371641.db2.gz CVHNATIHTDAOFU-SANMLTNESA-N 1 2 364.430 2.631 20 30 FFEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429439478 513377315 /nfs/dbraw/zinc/37/73/15/513377315.db2.gz ALBDQBKVICKEGH-IBGZPJMESA-N 1 2 357.417 2.814 20 30 FFEDLO Cc1cc(NCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c(C#N)c[nH+]1 ZINC000425214362 513456718 /nfs/dbraw/zinc/45/67/18/513456718.db2.gz JFJALEJTAYWJCU-HOTGVXAUSA-N 1 2 364.449 2.545 20 30 FFEDLO Cc1cc(N(C)CCCOc2cccc(S(C)(=O)=O)c2)c(C#N)c[nH+]1 ZINC000425225925 513462403 /nfs/dbraw/zinc/46/24/03/513462403.db2.gz PVPDXYGYUCODJE-UHFFFAOYSA-N 1 2 359.451 2.571 20 30 FFEDLO Cc1cccc(O[C@@H](C)C(=O)N2CCN(c3cc(C)[nH+]cc3C#N)CC2)c1 ZINC000425236249 513466721 /nfs/dbraw/zinc/46/67/21/513466721.db2.gz PRFFSCXBACTTQQ-KRWDZBQOSA-N 1 2 364.449 2.686 20 30 FFEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccn(CC(F)(F)F)n1 ZINC000451036495 513474125 /nfs/dbraw/zinc/47/41/25/513474125.db2.gz FNQNPWDEGNIJMV-UHFFFAOYSA-N 1 2 352.360 2.966 20 30 FFEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccn(CC(F)(F)F)n1 ZINC000451036495 513474129 /nfs/dbraw/zinc/47/41/29/513474129.db2.gz FNQNPWDEGNIJMV-UHFFFAOYSA-N 1 2 352.360 2.966 20 30 FFEDLO N#Cc1cc(F)ccc1CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000436267083 513811836 /nfs/dbraw/zinc/81/18/36/513811836.db2.gz CDQIQNRZDGPLHV-RTWAWAEBSA-N 1 2 351.425 2.783 20 30 FFEDLO N#Cc1cc(F)ccc1CN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000436267083 513811841 /nfs/dbraw/zinc/81/18/41/513811841.db2.gz CDQIQNRZDGPLHV-RTWAWAEBSA-N 1 2 351.425 2.783 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413957438 513901255 /nfs/dbraw/zinc/90/12/55/513901255.db2.gz OWHSCUSAMCMEHN-UHFFFAOYSA-N 1 2 357.479 2.922 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] ZINC000414152524 513991329 /nfs/dbraw/zinc/99/13/29/513991329.db2.gz QVSAAXJJZSZNRY-GOSISDBHSA-N 1 2 369.421 2.771 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] ZINC000414152524 513991335 /nfs/dbraw/zinc/99/13/35/513991335.db2.gz QVSAAXJJZSZNRY-GOSISDBHSA-N 1 2 369.421 2.771 20 30 FFEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000448957220 513992270 /nfs/dbraw/zinc/99/22/70/513992270.db2.gz RSMYOZHRWUAMRC-CYBMUJFWSA-N 1 2 358.392 2.867 20 30 FFEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000448957220 513992275 /nfs/dbraw/zinc/99/22/75/513992275.db2.gz RSMYOZHRWUAMRC-CYBMUJFWSA-N 1 2 358.392 2.867 20 30 FFEDLO CCC(=O)c1cc(Br)ccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414160782 513993409 /nfs/dbraw/zinc/99/34/09/513993409.db2.gz JKWWQQCXWXOSDB-CYBMUJFWSA-N 1 2 369.259 2.627 20 30 FFEDLO Cn1c(C#N)ccc1C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000448958182 513994210 /nfs/dbraw/zinc/99/42/10/513994210.db2.gz WBGDMNSITPWJPX-ZDUSSCGKSA-N 1 2 358.392 2.569 20 30 FFEDLO Cn1c(C#N)ccc1C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000448958182 513994219 /nfs/dbraw/zinc/99/42/19/513994219.db2.gz WBGDMNSITPWJPX-ZDUSSCGKSA-N 1 2 358.392 2.569 20 30 FFEDLO CCOC(=O)c1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)[nH]c1C ZINC000449012589 514028183 /nfs/dbraw/zinc/02/81/83/514028183.db2.gz FEBAODMSCGXRCA-UHFFFAOYSA-N 1 2 370.428 2.833 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451875883 514037937 /nfs/dbraw/zinc/03/79/37/514037937.db2.gz WNPKINLHEWEZCP-KGLIPLIRSA-N 1 2 368.403 2.701 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451875883 514037943 /nfs/dbraw/zinc/03/79/43/514037943.db2.gz WNPKINLHEWEZCP-KGLIPLIRSA-N 1 2 368.403 2.701 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000437493885 514170471 /nfs/dbraw/zinc/17/04/71/514170471.db2.gz GEKIVYBHXQCSES-ICSRJNTNSA-N 1 2 366.465 2.530 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000437645900 514202785 /nfs/dbraw/zinc/20/27/85/514202785.db2.gz LTAJSEICGIHYAK-QUCCMNQESA-N 1 2 368.481 2.754 20 30 FFEDLO C=CCc1cc(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)cc(OC)c1O ZINC000449528007 514242252 /nfs/dbraw/zinc/24/22/52/514242252.db2.gz MNSOCDWCZIPBQS-INIZCTEOSA-N 1 2 353.484 2.528 20 30 FFEDLO C=CCc1cc(C[N@H+]2CCCC[C@H]2CS(C)(=O)=O)cc(OC)c1O ZINC000449528007 514242255 /nfs/dbraw/zinc/24/22/55/514242255.db2.gz MNSOCDWCZIPBQS-INIZCTEOSA-N 1 2 353.484 2.528 20 30 FFEDLO C=CCc1cc(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc(OC)c1O ZINC000449528008 514242321 /nfs/dbraw/zinc/24/23/21/514242321.db2.gz MNSOCDWCZIPBQS-MRXNPFEDSA-N 1 2 353.484 2.528 20 30 FFEDLO C=CCc1cc(C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc(OC)c1O ZINC000449528008 514242326 /nfs/dbraw/zinc/24/23/26/514242326.db2.gz MNSOCDWCZIPBQS-MRXNPFEDSA-N 1 2 353.484 2.528 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3nc4ccc(F)cc4s3)CC2)c1C#N ZINC000432925946 514324472 /nfs/dbraw/zinc/32/44/72/514324472.db2.gz CIPHHMKCBJZQRW-UHFFFAOYSA-N 1 2 370.457 2.671 20 30 FFEDLO C[C@H]1C[C@@H](CO)C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000420945341 514395435 /nfs/dbraw/zinc/39/54/35/514395435.db2.gz RPYNNAOHNMWWIC-UONOGXRCSA-N 1 2 361.511 2.777 20 30 FFEDLO C[C@H]1C[C@@H](CO)C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000420945341 514395439 /nfs/dbraw/zinc/39/54/39/514395439.db2.gz RPYNNAOHNMWWIC-UONOGXRCSA-N 1 2 361.511 2.777 20 30 FFEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433291580 514446968 /nfs/dbraw/zinc/44/69/68/514446968.db2.gz WMKRESGIDGMEQL-HNNXBMFYSA-N 1 2 358.486 2.516 20 30 FFEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433291580 514446974 /nfs/dbraw/zinc/44/69/74/514446974.db2.gz WMKRESGIDGMEQL-HNNXBMFYSA-N 1 2 358.486 2.516 20 30 FFEDLO CC(C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)c1ccc2c(c1)OCCO2 ZINC000433315046 514455675 /nfs/dbraw/zinc/45/56/75/514455675.db2.gz WZJLDJVFFRZHPT-IBGZPJMESA-N 1 2 359.470 2.753 20 30 FFEDLO CC(C)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)c1ccc2c(c1)OCCO2 ZINC000433315046 514455681 /nfs/dbraw/zinc/45/56/81/514455681.db2.gz WZJLDJVFFRZHPT-IBGZPJMESA-N 1 2 359.470 2.753 20 30 FFEDLO N#Cc1ccc(CS(=O)(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000445544407 514491218 /nfs/dbraw/zinc/49/12/18/514491218.db2.gz PFHVDVKOMKUBRO-UHFFFAOYSA-N 1 2 351.431 2.918 20 30 FFEDLO CN(C)c1ncc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000475341826 514626963 /nfs/dbraw/zinc/62/69/63/514626963.db2.gz IDRYBIDQCCNAGZ-SFHVURJKSA-N 1 2 370.888 2.578 20 30 FFEDLO C=C(C)Cn1c(N2CC[NH+](Cc3ccco3)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453472714 514662045 /nfs/dbraw/zinc/66/20/45/514662045.db2.gz YBUKXDDKCHEFQY-HXUWFJFHSA-N 1 2 371.485 2.795 20 30 FFEDLO N#CCCN(C(=O)CCC(=O)Nc1cccc2[nH+]ccn21)c1ccccc1 ZINC000461628535 514675482 /nfs/dbraw/zinc/67/54/82/514675482.db2.gz HROUBDZICJIUIM-UHFFFAOYSA-N 1 2 361.405 3.000 20 30 FFEDLO N#CCc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000455708446 514696141 /nfs/dbraw/zinc/69/61/41/514696141.db2.gz UHHHJRFNIFMSGT-OAHLLOKOSA-N 1 2 362.861 2.735 20 30 FFEDLO COC(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)s1 ZINC000453587815 514705162 /nfs/dbraw/zinc/70/51/62/514705162.db2.gz SNLLHVSVIBZYLX-UHFFFAOYSA-N 1 2 359.426 2.868 20 30 FFEDLO CCCCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471003380 514712320 /nfs/dbraw/zinc/71/23/20/514712320.db2.gz DLTRBVBJUVQZNW-QAPCUYQASA-N 1 2 362.905 2.827 20 30 FFEDLO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471006685 514715531 /nfs/dbraw/zinc/71/55/31/514715531.db2.gz OEXWWYIFUPXFCG-LPHOPBHVSA-N 1 2 374.916 2.923 20 30 FFEDLO CC(C)CNC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471009907 514716950 /nfs/dbraw/zinc/71/69/50/514716950.db2.gz WVESVWKQNQMRGS-YJBOKZPZSA-N 1 2 362.905 2.683 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000471148332 514769459 /nfs/dbraw/zinc/76/94/59/514769459.db2.gz LQESAQOWIHPTOP-FQEVSTJZSA-N 1 2 373.460 2.760 20 30 FFEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000502774538 514770968 /nfs/dbraw/zinc/77/09/68/514770968.db2.gz KYACDIHEYYRHKI-MRXNPFEDSA-N 1 2 359.413 2.956 20 30 FFEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000502774538 514770974 /nfs/dbraw/zinc/77/09/74/514770974.db2.gz KYACDIHEYYRHKI-MRXNPFEDSA-N 1 2 359.413 2.956 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000498158252 514784454 /nfs/dbraw/zinc/78/44/54/514784454.db2.gz YLDVWOFILMNXDP-UHFFFAOYSA-N 1 2 360.458 2.912 20 30 FFEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000475735048 514786290 /nfs/dbraw/zinc/78/62/90/514786290.db2.gz BBEJZTSJLRREKP-WZQKQDCOSA-N 1 2 369.490 2.605 20 30 FFEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000475735048 514786298 /nfs/dbraw/zinc/78/62/98/514786298.db2.gz BBEJZTSJLRREKP-WZQKQDCOSA-N 1 2 369.490 2.605 20 30 FFEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1 ZINC000489427100 514840598 /nfs/dbraw/zinc/84/05/98/514840598.db2.gz LXHJQRUQIANVCF-INIZCTEOSA-N 1 2 354.458 2.567 20 30 FFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1 ZINC000489427100 514840606 /nfs/dbraw/zinc/84/06/06/514840606.db2.gz LXHJQRUQIANVCF-INIZCTEOSA-N 1 2 354.458 2.567 20 30 FFEDLO Cc1cc(C#N)cc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000456004447 514900760 /nfs/dbraw/zinc/90/07/60/514900760.db2.gz OUQSFNWKWSTFIJ-HXUWFJFHSA-N 1 2 364.449 2.889 20 30 FFEDLO Cc1cc(C#N)cc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000456004447 514900767 /nfs/dbraw/zinc/90/07/67/514900767.db2.gz OUQSFNWKWSTFIJ-HXUWFJFHSA-N 1 2 364.449 2.889 20 30 FFEDLO C=CCn1c(CCC2CCCCC2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000508823705 514906472 /nfs/dbraw/zinc/90/64/72/514906472.db2.gz FIXQTWSXCOXZNH-LJQANCHMSA-N 1 2 373.545 2.888 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000471642676 514967032 /nfs/dbraw/zinc/96/70/32/514967032.db2.gz MNVBVSQVJVJIMX-SFHVURJKSA-N 1 2 364.474 2.646 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc4c(cccc4F)[nH]3)CC2)c1C#N ZINC000471805345 515016353 /nfs/dbraw/zinc/01/63/53/515016353.db2.gz QTBUOKWHPSWVRK-UHFFFAOYSA-N 1 2 352.417 2.543 20 30 FFEDLO C[C@@H](C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1)c1cccc(C#N)c1 ZINC000462386414 515024949 /nfs/dbraw/zinc/02/49/49/515024949.db2.gz AWKBJHDFTFRNQJ-VFNWGFHPSA-N 1 2 371.481 2.584 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)c2[nH+]ccn2CC)c1 ZINC000453962947 515068341 /nfs/dbraw/zinc/06/83/41/515068341.db2.gz HLEWXMISWHLPTR-CQSZACIVSA-N 1 2 356.426 2.674 20 30 FFEDLO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)c2[nH+]ccn21 ZINC000453984209 515094399 /nfs/dbraw/zinc/09/43/99/515094399.db2.gz TXHSASVSIKXVDL-PWSUYJOCSA-N 1 2 371.466 2.874 20 30 FFEDLO N#CC1(CS(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCCC1 ZINC000498907979 515111122 /nfs/dbraw/zinc/11/11/22/515111122.db2.gz PUMITJFJEWLACD-UHFFFAOYSA-N 1 2 362.499 2.575 20 30 FFEDLO O=C(NCC#Cc1ccccc1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000504079946 515214896 /nfs/dbraw/zinc/21/48/96/515214896.db2.gz QBDMMLNTGFUQOG-UHFFFAOYSA-N 1 2 351.425 2.705 20 30 FFEDLO C=CCC1(CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CCCC1 ZINC000456506320 515228037 /nfs/dbraw/zinc/22/80/37/515228037.db2.gz NFFDFTJQHNNJBK-KRWDZBQOSA-N 1 2 360.502 2.736 20 30 FFEDLO C=CCC1(CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CCCC1 ZINC000456506320 515228048 /nfs/dbraw/zinc/22/80/48/515228048.db2.gz NFFDFTJQHNNJBK-KRWDZBQOSA-N 1 2 360.502 2.736 20 30 FFEDLO N#Cc1cnc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c(Cl)c1 ZINC000504179841 515238113 /nfs/dbraw/zinc/23/81/13/515238113.db2.gz DMTJQUACFOQUNV-UHFFFAOYSA-N 1 2 358.804 2.704 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@H](C(C)C)C2)cc1 ZINC000481286270 515277093 /nfs/dbraw/zinc/27/70/93/515277093.db2.gz OLVSESFTSJWUDC-IBGZPJMESA-N 1 2 359.470 2.689 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@H](C(C)C)C2)cc1 ZINC000481286270 515277103 /nfs/dbraw/zinc/27/71/03/515277103.db2.gz OLVSESFTSJWUDC-IBGZPJMESA-N 1 2 359.470 2.689 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCOC(C)(C)[C@@H]2C)cc1 ZINC000477305511 515405979 /nfs/dbraw/zinc/40/59/79/515405979.db2.gz RVKCFOSKCFDBBP-INIZCTEOSA-N 1 2 359.470 2.831 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCOC(C)(C)[C@@H]2C)cc1 ZINC000477305511 515405990 /nfs/dbraw/zinc/40/59/90/515405990.db2.gz RVKCFOSKCFDBBP-INIZCTEOSA-N 1 2 359.470 2.831 20 30 FFEDLO C=CCC[C@@H](CO)NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000456764552 515409969 /nfs/dbraw/zinc/40/99/69/515409969.db2.gz INCHQTUMIHRVAD-KRWDZBQOSA-N 1 2 369.465 2.600 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000472863088 515425374 /nfs/dbraw/zinc/42/53/74/515425374.db2.gz MWPCCZDQRCDEAA-GOSISDBHSA-N 1 2 363.461 2.929 20 30 FFEDLO Cc1cc(C)c(CNC(=O)CCCC(=O)Nc2ccccc2C#N)c[nH+]1 ZINC000456850328 515458862 /nfs/dbraw/zinc/45/88/62/515458862.db2.gz WHTXREXMCBSIJN-UHFFFAOYSA-N 1 2 350.422 2.995 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cc(F)c(F)cc3F)CC2)cc1 ZINC000486434470 515481421 /nfs/dbraw/zinc/48/14/21/515481421.db2.gz MGIQKKQBUXLIJO-UHFFFAOYSA-N 1 2 373.378 2.862 20 30 FFEDLO C[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000477528554 515491657 /nfs/dbraw/zinc/49/16/57/515491657.db2.gz SXGBGJMHGKVJPF-ZDUSSCGKSA-N 1 2 354.376 2.584 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC000459348142 515491962 /nfs/dbraw/zinc/49/19/62/515491962.db2.gz SABCEHDLUYORHA-UHFFFAOYSA-N 1 2 366.421 2.805 20 30 FFEDLO CC#CCN(C)C(=O)C(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000492167809 515508595 /nfs/dbraw/zinc/50/85/95/515508595.db2.gz JZVLTRNOVYPUOF-UHFFFAOYSA-N 1 2 360.417 2.730 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(Cc2ccccc2)C(C)(C)C)C1=O ZINC000500013713 515558947 /nfs/dbraw/zinc/55/89/47/515558947.db2.gz LVKRDAXCPCHNIG-SFHVURJKSA-N 1 2 357.498 2.532 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(Cc2ccccc2)C(C)(C)C)C1=O ZINC000500013713 515558956 /nfs/dbraw/zinc/55/89/56/515558956.db2.gz LVKRDAXCPCHNIG-SFHVURJKSA-N 1 2 357.498 2.532 20 30 FFEDLO C=CCNC(=O)C[NH+]1CCN(CCCc2c(Cl)cccc2Cl)CC1 ZINC000482063952 515561938 /nfs/dbraw/zinc/56/19/38/515561938.db2.gz HMUXPHUVOYNCBN-UHFFFAOYSA-N 1 2 370.324 2.846 20 30 FFEDLO C=CCNC(=O)CN1CC[NH+](CCCc2c(Cl)cccc2Cl)CC1 ZINC000482063952 515561950 /nfs/dbraw/zinc/56/19/50/515561950.db2.gz HMUXPHUVOYNCBN-UHFFFAOYSA-N 1 2 370.324 2.846 20 30 FFEDLO C[C@H](C#N)S(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000510776654 515665095 /nfs/dbraw/zinc/66/50/95/515665095.db2.gz HZQVHKDTHNSUGS-QGZVFWFLSA-N 1 2 369.490 2.635 20 30 FFEDLO COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)c1 ZINC000510886519 515702920 /nfs/dbraw/zinc/70/29/20/515702920.db2.gz GQJWSLFDGAWALA-KGLIPLIRSA-N 1 2 363.433 2.597 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000505884299 515711790 /nfs/dbraw/zinc/71/17/90/515711790.db2.gz WUUFLDHYWSMJED-UHFFFAOYSA-N 1 2 352.438 2.521 20 30 FFEDLO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000510922832 515716099 /nfs/dbraw/zinc/71/60/99/515716099.db2.gz XAAMJAVDNURRHR-CQSZACIVSA-N 1 2 367.852 2.893 20 30 FFEDLO CCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000500469830 515727998 /nfs/dbraw/zinc/72/79/98/515727998.db2.gz QKJBZBXTUPEHKA-DOMZBBRYSA-N 1 2 362.861 2.529 20 30 FFEDLO CCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000500469830 515728006 /nfs/dbraw/zinc/72/80/06/515728006.db2.gz QKJBZBXTUPEHKA-DOMZBBRYSA-N 1 2 362.861 2.529 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511058859 515761856 /nfs/dbraw/zinc/76/18/56/515761856.db2.gz INNMLOCWPVEWPN-UHFFFAOYSA-N 1 2 353.825 2.703 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511058859 515761864 /nfs/dbraw/zinc/76/18/64/515761864.db2.gz INNMLOCWPVEWPN-UHFFFAOYSA-N 1 2 353.825 2.703 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+](CCO)Cc3cccc(F)c3)o2)c1 ZINC000494251563 515785604 /nfs/dbraw/zinc/78/56/04/515785604.db2.gz RBOCPPPUGDMTLI-UHFFFAOYSA-N 1 2 352.369 2.742 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+](CCO)Cc3cccc(F)c3)o2)c1 ZINC000494251563 515785611 /nfs/dbraw/zinc/78/56/11/515785611.db2.gz RBOCPPPUGDMTLI-UHFFFAOYSA-N 1 2 352.369 2.742 20 30 FFEDLO N#CC1(NC(=O)[C@H]2CCCc3[nH]ncc32)CC[NH+](Cc2ccccc2)CC1 ZINC000482732587 515785564 /nfs/dbraw/zinc/78/55/64/515785564.db2.gz CGGSWSZRPXHSAN-KRWDZBQOSA-N 1 2 363.465 2.504 20 30 FFEDLO C=CCOc1ccccc1C[NH+]1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000506141389 515796674 /nfs/dbraw/zinc/79/66/74/515796674.db2.gz VXFFFASUHBUIOI-UHFFFAOYSA-N 1 2 371.525 2.772 20 30 FFEDLO C=CCOc1ccccc1CN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000506141389 515796683 /nfs/dbraw/zinc/79/66/83/515796683.db2.gz VXFFFASUHBUIOI-UHFFFAOYSA-N 1 2 371.525 2.772 20 30 FFEDLO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccn(C)n2)ccc1Cl ZINC000459799607 515811299 /nfs/dbraw/zinc/81/12/99/515811299.db2.gz VSMNVWBSRXYDGA-AWEZNQCLSA-N 1 2 359.861 2.979 20 30 FFEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(OCCC(C)C)cc2)CC1 ZINC000506261616 515831347 /nfs/dbraw/zinc/83/13/47/515831347.db2.gz JESIHHACFDZKNJ-UHFFFAOYSA-N 1 2 359.514 2.531 20 30 FFEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(-c3ccc(C)cc3)o2)CC1 ZINC000506279076 515837573 /nfs/dbraw/zinc/83/75/73/515837573.db2.gz HUZQVYUBIJENDH-UHFFFAOYSA-N 1 2 353.466 2.675 20 30 FFEDLO Cc1cccc2[nH+]c(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cn21 ZINC000506329866 515851238 /nfs/dbraw/zinc/85/12/38/515851238.db2.gz HEEFPLWKXXNDBU-IBGZPJMESA-N 1 2 356.426 2.521 20 30 FFEDLO Cn1cc(CNc2[nH+]c3ccccc3n2CCCn2cc[nH+]c2)cc1C#N ZINC000478555421 515867817 /nfs/dbraw/zinc/86/78/17/515867817.db2.gz FEVADZHBKGEMDJ-UHFFFAOYSA-N 1 2 359.437 2.567 20 30 FFEDLO Cn1cc(CNc2nc3ccccc3n2CCCn2cc[nH+]c2)cc1C#N ZINC000478555421 515867820 /nfs/dbraw/zinc/86/78/20/515867820.db2.gz FEVADZHBKGEMDJ-UHFFFAOYSA-N 1 2 359.437 2.567 20 30 FFEDLO Cn1cc(CNc2[nH+]c3ccccc3n2CCCn2ccnc2)cc1C#N ZINC000478555421 515867824 /nfs/dbraw/zinc/86/78/24/515867824.db2.gz FEVADZHBKGEMDJ-UHFFFAOYSA-N 1 2 359.437 2.567 20 30 FFEDLO COc1cc2c(c(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)c1)O[C@H](C)C2 ZINC000506690045 515954907 /nfs/dbraw/zinc/95/49/07/515954907.db2.gz XSZHXZMYQDFAQL-OAHLLOKOSA-N 1 2 364.449 2.607 20 30 FFEDLO C[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000483283769 516016436 /nfs/dbraw/zinc/01/64/36/516016436.db2.gz JAQFFLAJNFICQB-HNNXBMFYSA-N 1 2 370.884 2.826 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000483283769 516016444 /nfs/dbraw/zinc/01/64/44/516016444.db2.gz JAQFFLAJNFICQB-HNNXBMFYSA-N 1 2 370.884 2.826 20 30 FFEDLO C=CCn1c(-c2ccco2)nnc1S(=O)(=O)Cc1ccc(C)[nH+]c1C ZINC000506914101 516022670 /nfs/dbraw/zinc/02/26/70/516022670.db2.gz SDTQXLOMZLTTNA-UHFFFAOYSA-N 1 2 358.423 2.710 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000470006592 516076002 /nfs/dbraw/zinc/07/60/02/516076002.db2.gz RVCOMIPDFXRQFW-IBGZPJMESA-N 1 2 359.433 2.552 20 30 FFEDLO C=C[C@@H]1CCCCN1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000495134942 516078308 /nfs/dbraw/zinc/07/83/08/516078308.db2.gz DKBWGXTXFVMPLO-LJQANCHMSA-N 1 2 373.497 2.648 20 30 FFEDLO CCN1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000474748882 516179509 /nfs/dbraw/zinc/17/95/09/516179509.db2.gz LHMSCZKPZPWLLS-MSOLQXFVSA-N 1 2 366.469 2.843 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)N(C)Cc1ccccc1OC)Cc1ccc(CO)o1 ZINC000512178280 516185010 /nfs/dbraw/zinc/18/50/10/516185010.db2.gz IQMNWRIPFHIHSP-UHFFFAOYSA-N 1 2 372.465 2.817 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)N(C)Cc1ccccc1OC)Cc1ccc(CO)o1 ZINC000512178280 516185019 /nfs/dbraw/zinc/18/50/19/516185019.db2.gz IQMNWRIPFHIHSP-UHFFFAOYSA-N 1 2 372.465 2.817 20 30 FFEDLO Cc1ccc(OC[C@@H](O)C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c(C)c1 ZINC000460599130 516198769 /nfs/dbraw/zinc/19/87/69/516198769.db2.gz RADTVZWIZNOQMJ-SFHVURJKSA-N 1 2 352.434 2.678 20 30 FFEDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2cc(C#N)ccc2OC(C)C)CCO1 ZINC000488367718 516206873 /nfs/dbraw/zinc/20/68/73/516206873.db2.gz MZFRBQXMSYXIOQ-INIZCTEOSA-N 1 2 360.458 2.578 20 30 FFEDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2cc(C#N)ccc2OC(C)C)CCO1 ZINC000488367718 516206876 /nfs/dbraw/zinc/20/68/76/516206876.db2.gz MZFRBQXMSYXIOQ-INIZCTEOSA-N 1 2 360.458 2.578 20 30 FFEDLO CCO[C@@H](C)c1noc(CN2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)n1 ZINC000488424760 516222195 /nfs/dbraw/zinc/22/21/95/516222195.db2.gz DQNDMOSWJMYHRI-INIZCTEOSA-N 1 2 369.469 2.665 20 30 FFEDLO C=CCn1cccc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000488489399 516238889 /nfs/dbraw/zinc/23/88/89/516238889.db2.gz PUZDAOPGKLVQOD-HZPDHXFCSA-N 1 2 354.454 2.613 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)N(C)Cc1ccccc1F)Cc1ccc(CO)o1 ZINC000512408316 516268188 /nfs/dbraw/zinc/26/81/88/516268188.db2.gz DUNIYOXBLRQVPI-UHFFFAOYSA-N 1 2 360.429 2.948 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)N(C)Cc1ccccc1F)Cc1ccc(CO)o1 ZINC000512408316 516268195 /nfs/dbraw/zinc/26/81/95/516268195.db2.gz DUNIYOXBLRQVPI-UHFFFAOYSA-N 1 2 360.429 2.948 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000507671383 516279971 /nfs/dbraw/zinc/27/99/71/516279971.db2.gz DTJMIHYSLPRKRE-MOPGFXCFSA-N 1 2 371.525 2.963 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000488762367 516304009 /nfs/dbraw/zinc/30/40/09/516304009.db2.gz CUNBKTWAGHRVGB-UHFFFAOYSA-N 1 2 369.465 2.649 20 30 FFEDLO C[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H](c2ccccc2)O1 ZINC000528358651 516375711 /nfs/dbraw/zinc/37/57/11/516375711.db2.gz MJISKYPHXCHASU-UTKZUKDTSA-N 1 2 374.440 2.748 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H](c2ccccc2)O1 ZINC000528358651 516375719 /nfs/dbraw/zinc/37/57/19/516375719.db2.gz MJISKYPHXCHASU-UTKZUKDTSA-N 1 2 374.440 2.748 20 30 FFEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC(C)(C)[C@@H]2c2cccs2)CC1 ZINC000554309334 516376893 /nfs/dbraw/zinc/37/68/93/516376893.db2.gz QDBNFANXOUAMND-APWZRJJASA-N 1 2 374.554 2.823 20 30 FFEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC(C)(C)[C@@H]2c2cccs2)CC1 ZINC000554309334 516376901 /nfs/dbraw/zinc/37/69/01/516376901.db2.gz QDBNFANXOUAMND-APWZRJJASA-N 1 2 374.554 2.823 20 30 FFEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1nc2c(cc1C#N)CCCC2(C)C ZINC000557696963 516390469 /nfs/dbraw/zinc/39/04/69/516390469.db2.gz JMQVXNWZVJSCNF-YJBOKZPZSA-N 1 2 354.498 2.867 20 30 FFEDLO C[C@@H](C(=O)NCc1cccc(C#N)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000517702506 516417097 /nfs/dbraw/zinc/41/70/97/516417097.db2.gz GKLMJKWOQPXOIL-INIZCTEOSA-N 1 2 366.440 2.524 20 30 FFEDLO CC(C)(CCC#N)CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000513107537 516477178 /nfs/dbraw/zinc/47/71/78/516477178.db2.gz GLFIRXSNGLKIKN-UHFFFAOYSA-N 1 2 358.486 2.723 20 30 FFEDLO C=CCNC(=O)CN1CC[NH+](Cc2cnc(C3CCCCC3)s2)CC1 ZINC000535781394 516505118 /nfs/dbraw/zinc/50/51/18/516505118.db2.gz MRYZQHZQULLALA-UHFFFAOYSA-N 1 2 362.543 2.611 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C)(N3CCOCC3)CC2)c1C ZINC000528728353 516651994 /nfs/dbraw/zinc/65/19/94/516651994.db2.gz APZQDUZRFSNBNU-UHFFFAOYSA-N 1 2 359.514 2.660 20 30 FFEDLO Cc1cccn2cc(CC(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)[nH+]c12 ZINC000524160012 516658398 /nfs/dbraw/zinc/65/83/98/516658398.db2.gz FZCZJWAOJFWYGV-FQEVSTJZSA-N 1 2 373.460 2.594 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000558661810 516867829 /nfs/dbraw/zinc/86/78/29/516867829.db2.gz RRHOTUPKTATLQD-STQMWFEESA-N 1 2 355.467 2.579 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](n2cccn2)C1 ZINC000558661810 516867835 /nfs/dbraw/zinc/86/78/35/516867835.db2.gz RRHOTUPKTATLQD-STQMWFEESA-N 1 2 355.467 2.579 20 30 FFEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000551857449 516911602 /nfs/dbraw/zinc/91/16/02/516911602.db2.gz XILMSCIHQOYLSY-GOSISDBHSA-N 1 2 373.416 2.776 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000532351937 516929472 /nfs/dbraw/zinc/92/94/72/516929472.db2.gz BNGIUEYHGHUQTD-YWZLYKJASA-N 1 2 371.460 2.589 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000532351937 516929480 /nfs/dbraw/zinc/92/94/80/516929480.db2.gz BNGIUEYHGHUQTD-YWZLYKJASA-N 1 2 371.460 2.589 20 30 FFEDLO C=C(CC)C[NH+]1CCN(S(=O)(=O)c2cccc3cc(C)cnc32)CC1 ZINC000536903439 516972920 /nfs/dbraw/zinc/97/29/20/516972920.db2.gz DUBZLDPZFHBHHK-UHFFFAOYSA-N 1 2 359.495 2.816 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000548425766 516976669 /nfs/dbraw/zinc/97/66/69/516976669.db2.gz APTMVSRQGYVFNL-ZRGWGRIASA-N 1 2 359.445 2.960 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000548425766 516976681 /nfs/dbraw/zinc/97/66/81/516976681.db2.gz APTMVSRQGYVFNL-ZRGWGRIASA-N 1 2 359.445 2.960 20 30 FFEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2 ZINC000519612451 517079352 /nfs/dbraw/zinc/07/93/52/517079352.db2.gz OFMNZOACUSUGOF-VXGBXAGGSA-N 1 2 363.483 2.880 20 30 FFEDLO C=CCC[C@@H](NC(=O)C(=O)NCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000555717434 517084717 /nfs/dbraw/zinc/08/47/17/517084717.db2.gz AZUQRAIGDIUUSX-GOSISDBHSA-N 1 2 362.433 2.774 20 30 FFEDLO O=C(NCC1([NH+]2CCOCC2)CC1)c1ccc(C#Cc2ccccc2)cc1 ZINC000562435820 517106912 /nfs/dbraw/zinc/10/69/12/517106912.db2.gz DIBJGXMJMSDQGI-UHFFFAOYSA-N 1 2 360.457 2.681 20 30 FFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000519713573 517142179 /nfs/dbraw/zinc/14/21/79/517142179.db2.gz UZXDWSKYODTQEN-INIZCTEOSA-N 1 2 357.454 2.625 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1Cl ZINC000514972168 517148546 /nfs/dbraw/zinc/14/85/46/517148546.db2.gz IBLCTWKPCOBLSH-OAHLLOKOSA-N 1 2 372.918 2.761 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1Cl ZINC000514972168 517148551 /nfs/dbraw/zinc/14/85/51/517148551.db2.gz IBLCTWKPCOBLSH-OAHLLOKOSA-N 1 2 372.918 2.761 20 30 FFEDLO Cc1cccnc1OC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000514976629 517150340 /nfs/dbraw/zinc/15/03/40/517150340.db2.gz VXCPFGMSUWWMCQ-UHFFFAOYSA-N 1 2 350.422 2.744 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3ccc4c(c3)CCC4)C2)nc1 ZINC000519757574 517166632 /nfs/dbraw/zinc/16/66/32/517166632.db2.gz LZKRFMUINHKBJB-IBGZPJMESA-N 1 2 362.433 2.534 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3ccc4c(c3)CCC4)C2)nc1 ZINC000519757574 517166639 /nfs/dbraw/zinc/16/66/39/517166639.db2.gz LZKRFMUINHKBJB-IBGZPJMESA-N 1 2 362.433 2.534 20 30 FFEDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)o1 ZINC000541686848 517172319 /nfs/dbraw/zinc/17/23/19/517172319.db2.gz LZUZVPBBPHGZHN-GJZGRUSLSA-N 1 2 355.442 2.981 20 30 FFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2sccc2Br)C(N)=O)cc1 ZINC000515084143 517205087 /nfs/dbraw/zinc/20/50/87/517205087.db2.gz DJMMTFWFIGDHJA-CYBMUJFWSA-N 1 2 350.241 2.698 20 30 FFEDLO C=CCN(CC(=O)N1CC[NH+](Cc2ccco2)CC1)Cc1ccccc1F ZINC000532930631 517206939 /nfs/dbraw/zinc/20/69/39/517206939.db2.gz FBWYWLYQYUVQGT-UHFFFAOYSA-N 1 2 371.456 2.751 20 30 FFEDLO N#Cc1ccc(CNC(=O)CN2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000532963986 517223404 /nfs/dbraw/zinc/22/34/04/517223404.db2.gz MQHQPFFGLBHZIW-DAXSKMNVSA-N 1 2 374.488 2.505 20 30 FFEDLO Cc1cc(Br)cn2cc(CNC(=O)c3ccc(C#N)cn3)[nH+]c12 ZINC000545484525 517262893 /nfs/dbraw/zinc/26/28/93/517262893.db2.gz WKIVKMKHFCOPEU-UHFFFAOYSA-N 1 2 370.210 2.602 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000548864772 517266302 /nfs/dbraw/zinc/26/63/02/517266302.db2.gz CTETXHVKSSOWDA-UHFFFAOYSA-N 1 2 356.376 2.856 20 30 FFEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000520281424 517330138 /nfs/dbraw/zinc/33/01/38/517330138.db2.gz WTVGNPWFCPMALI-UHFFFAOYSA-N 1 2 358.463 2.610 20 30 FFEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000520281424 517330141 /nfs/dbraw/zinc/33/01/41/517330141.db2.gz WTVGNPWFCPMALI-UHFFFAOYSA-N 1 2 358.463 2.610 20 30 FFEDLO C[N@H+](CC(=O)NCC#N)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000556511264 517470490 /nfs/dbraw/zinc/47/04/90/517470490.db2.gz GHGUIVTZBGIXOL-UHFFFAOYSA-N 1 2 353.266 2.796 20 30 FFEDLO C[N@@H+](CC(=O)NCC#N)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000556511264 517470495 /nfs/dbraw/zinc/47/04/95/517470495.db2.gz GHGUIVTZBGIXOL-UHFFFAOYSA-N 1 2 353.266 2.796 20 30 FFEDLO COc1ccc([C@@H](CCO)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000538128903 517474757 /nfs/dbraw/zinc/47/47/57/517474757.db2.gz VWWRKQVPYSEJOS-GOSISDBHSA-N 1 2 364.405 2.830 20 30 FFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553057201 517500619 /nfs/dbraw/zinc/50/06/19/517500619.db2.gz RESMGQYLJUQHMI-UHFFFAOYSA-N 1 2 361.405 2.583 20 30 FFEDLO Cc1[nH+]c2cc(NC(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)ccc2n1C ZINC000527146055 517526578 /nfs/dbraw/zinc/52/65/78/517526578.db2.gz DPRLFNIVFNHHAJ-UHFFFAOYSA-N 1 2 367.796 2.984 20 30 FFEDLO CCCCOC1CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000533603341 517546041 /nfs/dbraw/zinc/54/60/41/517546041.db2.gz BUFHJSWEJXOBDK-UHFFFAOYSA-N 1 2 350.484 2.613 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000542424323 517555009 /nfs/dbraw/zinc/55/50/09/517555009.db2.gz JYIURIYXVXUPPE-UHFFFAOYSA-N 1 2 365.393 2.553 20 30 FFEDLO CCCCN(CCCC)C(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546211504 517598384 /nfs/dbraw/zinc/59/83/84/517598384.db2.gz OOOKNFRVLQJMDJ-UHFFFAOYSA-N 1 2 357.502 2.504 20 30 FFEDLO C=CCn1c(C)cc(C(=O)CN2CCN(c3c[nH+]ccc3C)CC2)c1C ZINC000533921075 517668835 /nfs/dbraw/zinc/66/88/35/517668835.db2.gz ISDGIBRGNLQMBM-UHFFFAOYSA-N 1 2 352.482 2.999 20 30 FFEDLO CN(C(=O)C(=O)Nc1sccc1C#N)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000560311337 517690474 /nfs/dbraw/zinc/69/04/74/517690474.db2.gz CWLDGLYYYCFZHL-AWEZNQCLSA-N 1 2 365.418 2.529 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000560318536 517695011 /nfs/dbraw/zinc/69/50/11/517695011.db2.gz NSGNCMUZSGGDRM-KGLIPLIRSA-N 1 2 362.430 2.753 20 30 FFEDLO CCc1ncc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cn1 ZINC000556881955 517726644 /nfs/dbraw/zinc/72/66/44/517726644.db2.gz UUHGWBKOIRAHPO-UHFFFAOYSA-N 1 2 358.449 2.781 20 30 FFEDLO N#Cc1c(C[N@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)cn2ccccc12 ZINC000549830912 517731536 /nfs/dbraw/zinc/73/15/36/517731536.db2.gz NXVZUWSFFMKION-OAQYLSRUSA-N 1 2 358.445 2.744 20 30 FFEDLO N#Cc1c(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)cn2ccccc12 ZINC000549830912 517731545 /nfs/dbraw/zinc/73/15/45/517731545.db2.gz NXVZUWSFFMKION-OAQYLSRUSA-N 1 2 358.445 2.744 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000516648215 517789002 /nfs/dbraw/zinc/78/90/02/517789002.db2.gz MNHVYZOKXHKXRR-YJBOKZPZSA-N 1 2 366.552 2.859 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000516648215 517789007 /nfs/dbraw/zinc/78/90/07/517789007.db2.gz MNHVYZOKXHKXRR-YJBOKZPZSA-N 1 2 366.552 2.859 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000516648212 517789099 /nfs/dbraw/zinc/78/90/99/517789099.db2.gz MNHVYZOKXHKXRR-CRAIPNDOSA-N 1 2 366.552 2.859 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000516648212 517789108 /nfs/dbraw/zinc/78/91/08/517789108.db2.gz MNHVYZOKXHKXRR-CRAIPNDOSA-N 1 2 366.552 2.859 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2C)c1C#N ZINC000530465909 517792209 /nfs/dbraw/zinc/79/22/09/517792209.db2.gz IGIDIBCBJAGBFZ-DYVFJYSZSA-N 1 2 358.486 2.875 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2C)c1C#N ZINC000530465909 517792216 /nfs/dbraw/zinc/79/22/16/517792216.db2.gz IGIDIBCBJAGBFZ-DYVFJYSZSA-N 1 2 358.486 2.875 20 30 FFEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000521653852 517813723 /nfs/dbraw/zinc/81/37/23/517813723.db2.gz CHPOZOTYMTZBMI-LJQANCHMSA-N 1 2 369.425 2.527 20 30 FFEDLO COC(=O)c1ccc([C@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000550156548 517896873 /nfs/dbraw/zinc/89/68/73/517896873.db2.gz AIJMFTQAFSNEMQ-HNNXBMFYSA-N 1 2 353.422 2.817 20 30 FFEDLO COC(=O)c1ccc([C@H](C)[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000550156548 517896882 /nfs/dbraw/zinc/89/68/82/517896882.db2.gz AIJMFTQAFSNEMQ-HNNXBMFYSA-N 1 2 353.422 2.817 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000516953475 517936963 /nfs/dbraw/zinc/93/69/63/517936963.db2.gz FUYMEEPQKHYGAV-IXDOHACOSA-N 1 2 358.417 2.681 20 30 FFEDLO Cn1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc2cc(C(F)(F)F)ccc21 ZINC000522006578 517946229 /nfs/dbraw/zinc/94/62/29/517946229.db2.gz SBUGFJZBRKKECI-INIZCTEOSA-N 1 2 352.360 2.771 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000550515979 518094886 /nfs/dbraw/zinc/09/48/86/518094886.db2.gz OSGZICCRBDBDAI-INIZCTEOSA-N 1 2 358.486 2.549 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1)OCC ZINC000535150576 518159392 /nfs/dbraw/zinc/15/93/92/518159392.db2.gz ACJLTVBGSOBLIT-VQTJNVASSA-N 1 2 360.498 2.856 20 30 FFEDLO Cc1nnc([C@@H]2CC[N@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)[nH]1 ZINC000569670977 518229365 /nfs/dbraw/zinc/22/93/65/518229365.db2.gz BUGLASXGXVMSOD-OAHLLOKOSA-N 1 2 362.437 2.654 20 30 FFEDLO Cc1nnc([C@@H]2CC[N@@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)[nH]1 ZINC000569670977 518229373 /nfs/dbraw/zinc/22/93/73/518229373.db2.gz BUGLASXGXVMSOD-OAHLLOKOSA-N 1 2 362.437 2.654 20 30 FFEDLO Cc1n[nH]c([C@@H]2CC[N@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)n1 ZINC000569670977 518229381 /nfs/dbraw/zinc/22/93/81/518229381.db2.gz BUGLASXGXVMSOD-OAHLLOKOSA-N 1 2 362.437 2.654 20 30 FFEDLO Cc1n[nH]c([C@@H]2CC[N@@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)n1 ZINC000569670977 518229387 /nfs/dbraw/zinc/22/93/87/518229387.db2.gz BUGLASXGXVMSOD-OAHLLOKOSA-N 1 2 362.437 2.654 20 30 FFEDLO Cc1nc([C@@H]2CC[N@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)n[nH]1 ZINC000569670977 518229392 /nfs/dbraw/zinc/22/93/92/518229392.db2.gz BUGLASXGXVMSOD-OAHLLOKOSA-N 1 2 362.437 2.654 20 30 FFEDLO Cc1nc([C@@H]2CC[N@@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)n[nH]1 ZINC000569670977 518229397 /nfs/dbraw/zinc/22/93/97/518229397.db2.gz BUGLASXGXVMSOD-OAHLLOKOSA-N 1 2 362.437 2.654 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2[C@@H]3C[C@@H](C(=O)OC)O[C@H]3CC[C@H]2C)c1C ZINC000572544250 518241216 /nfs/dbraw/zinc/24/12/16/518241216.db2.gz ONQRRWGHPQTQRG-PTLICHBZSA-N 1 2 374.481 2.657 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2[C@@H]3C[C@@H](C(=O)OC)O[C@H]3CC[C@H]2C)c1C ZINC000572544250 518241220 /nfs/dbraw/zinc/24/12/20/518241220.db2.gz ONQRRWGHPQTQRG-PTLICHBZSA-N 1 2 374.481 2.657 20 30 FFEDLO N#C[C@H]1CN(C(=O)[C@@H](c2c(F)cccc2Cl)[NH+]2CCCCC2)CCO1 ZINC000575905842 518337628 /nfs/dbraw/zinc/33/76/28/518337628.db2.gz LILGTOSWAWTXMR-SUMWQHHRSA-N 1 2 365.836 2.757 20 30 FFEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nc(CC(F)(F)F)no1 ZINC000575951548 518357661 /nfs/dbraw/zinc/35/76/61/518357661.db2.gz QFSYABJVNHDHLY-UHFFFAOYSA-N 1 2 354.332 2.695 20 30 FFEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nc(CC(F)(F)F)no1 ZINC000575951548 518357664 /nfs/dbraw/zinc/35/76/64/518357664.db2.gz QFSYABJVNHDHLY-UHFFFAOYSA-N 1 2 354.332 2.695 20 30 FFEDLO CN(C)c1[nH]c2ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc2[nH+]1 ZINC000575971545 518368035 /nfs/dbraw/zinc/36/80/35/518368035.db2.gz ZLJFXUNJLJZWKY-IBGZPJMESA-N 1 2 371.441 2.829 20 30 FFEDLO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000567170495 518386904 /nfs/dbraw/zinc/38/69/04/518386904.db2.gz AMWOIHDVMDWUAN-KRWDZBQOSA-N 1 2 350.850 2.508 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(F)c(Br)c(Cl)c1 ZINC000567170556 518387445 /nfs/dbraw/zinc/38/74/45/518387445.db2.gz COJQLQOHOOFEIW-CYBMUJFWSA-N 1 2 362.630 2.815 20 30 FFEDLO N#Cc1cc2c(nc1N1CCc3c([nH+]cn3-c3ccccc3)C1)CCOC2 ZINC000567190278 518397192 /nfs/dbraw/zinc/39/71/92/518397192.db2.gz WGGGTTSDSGVIQO-UHFFFAOYSA-N 1 2 357.417 2.774 20 30 FFEDLO C=C(C)Cn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1[C@]1(C)CCCO1 ZINC000572951787 518435751 /nfs/dbraw/zinc/43/57/51/518435751.db2.gz IKOHTBKZTHAELV-FQEVSTJZSA-N 1 2 368.485 2.601 20 30 FFEDLO COC(=O)c1ccc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)c(C#N)n1 ZINC000576122101 518440080 /nfs/dbraw/zinc/44/00/80/518440080.db2.gz WLNUCVAFXOUETI-INIZCTEOSA-N 1 2 360.364 2.733 20 30 FFEDLO C=CCCCCCNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000573017994 518469077 /nfs/dbraw/zinc/46/90/77/518469077.db2.gz WPJYHPFWFSNARJ-KRWDZBQOSA-N 1 2 373.497 2.881 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000581946424 518515820 /nfs/dbraw/zinc/51/58/20/518515820.db2.gz MRAIOFYLJXVWRB-UHFFFAOYSA-N 1 2 350.378 2.987 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000581946424 518515825 /nfs/dbraw/zinc/51/58/25/518515825.db2.gz MRAIOFYLJXVWRB-UHFFFAOYSA-N 1 2 350.378 2.987 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](CC(=O)NCc1ccc(CC#N)cc1)C(F)(F)F ZINC000582191423 518631322 /nfs/dbraw/zinc/63/13/22/518631322.db2.gz XFBCAMRNYHKWLM-CQSZACIVSA-N 1 2 350.344 2.839 20 30 FFEDLO CC[C@H](C(=O)OC)[NH+]1CCN(c2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000564891759 518680725 /nfs/dbraw/zinc/68/07/25/518680725.db2.gz ZXNXLWQWAIQJMV-MRXNPFEDSA-N 1 2 372.856 2.833 20 30 FFEDLO CCc1nnc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)s1 ZINC000576673623 518704224 /nfs/dbraw/zinc/70/42/24/518704224.db2.gz SJBMOLSIRUBDGO-UHFFFAOYSA-N 1 2 353.455 2.562 20 30 FFEDLO COc1nc(C)cc(C)c1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000588202275 518748504 /nfs/dbraw/zinc/74/85/04/518748504.db2.gz ZBFUEADVCCDIDZ-UHFFFAOYSA-N 1 2 367.453 2.766 20 30 FFEDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565045399 518759631 /nfs/dbraw/zinc/75/96/31/518759631.db2.gz AJKFWKKMNHWJEQ-UHFFFAOYSA-N 1 2 370.384 2.744 20 30 FFEDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565045399 518759641 /nfs/dbraw/zinc/75/96/41/518759641.db2.gz AJKFWKKMNHWJEQ-UHFFFAOYSA-N 1 2 370.384 2.744 20 30 FFEDLO CC1CCN(c2ccc(CNS(=O)(=O)CCC(C)(C)C#N)c[nH+]2)CC1 ZINC000573645907 518765573 /nfs/dbraw/zinc/76/55/73/518765573.db2.gz OPUVPJGFQFQGNG-UHFFFAOYSA-N 1 2 364.515 2.677 20 30 FFEDLO C[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)C[C@H](c2ccc(F)cc2)O1 ZINC000567896497 518773942 /nfs/dbraw/zinc/77/39/42/518773942.db2.gz UNJRSEMKJLOPKM-SCLBCKFNSA-N 1 2 351.385 2.702 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C[C@H](c2ccc(F)cc2)O1 ZINC000567896497 518773947 /nfs/dbraw/zinc/77/39/47/518773947.db2.gz UNJRSEMKJLOPKM-SCLBCKFNSA-N 1 2 351.385 2.702 20 30 FFEDLO C=CCc1cc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc(OC)c1OC ZINC000576946888 518841718 /nfs/dbraw/zinc/84/17/18/518841718.db2.gz YEVRXTVVKVEOPS-MRXNPFEDSA-N 1 2 355.438 2.508 20 30 FFEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000565370699 518922261 /nfs/dbraw/zinc/92/22/61/518922261.db2.gz KBOBMFKSHVBHDH-UZLBHIALSA-N 1 2 359.470 2.943 20 30 FFEDLO COc1cccc([C@@H](NC(=O)c2cc(O)cc(C#N)c2)c2[nH+]ccn2C)c1 ZINC000589166641 518937194 /nfs/dbraw/zinc/93/71/94/518937194.db2.gz XRWYASGGZXHZFC-GOSISDBHSA-N 1 2 362.389 2.525 20 30 FFEDLO N#Cc1cc(O)cc(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000589179923 518941987 /nfs/dbraw/zinc/94/19/87/518941987.db2.gz ITFFUZOQVXAHSM-OAHLLOKOSA-N 1 2 371.387 2.936 20 30 FFEDLO N#Cc1cc(O)cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000589179923 518941995 /nfs/dbraw/zinc/94/19/95/518941995.db2.gz ITFFUZOQVXAHSM-OAHLLOKOSA-N 1 2 371.387 2.936 20 30 FFEDLO N#Cc1cc(F)c(N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1Br ZINC000579972190 518944787 /nfs/dbraw/zinc/94/47/87/518944787.db2.gz QERLNODWSQUZHH-UHFFFAOYSA-N 1 2 364.222 2.505 20 30 FFEDLO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000574090576 518981744 /nfs/dbraw/zinc/98/17/44/518981744.db2.gz YMLLXGQXDJJWRB-FQEVSTJZSA-N 1 2 358.486 2.522 20 30 FFEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc(C#N)n2)C[C@@H](C)O1 ZINC000589754406 519075436 /nfs/dbraw/zinc/07/54/36/519075436.db2.gz ZDIWHZFDARZLNL-HUUCEWRRSA-N 1 2 350.422 2.815 20 30 FFEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 ZINC000574487205 519177545 /nfs/dbraw/zinc/17/75/45/519177545.db2.gz XTNIDIMLICSIST-HNNXBMFYSA-N 1 2 365.474 2.528 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000590298569 519192379 /nfs/dbraw/zinc/19/23/79/519192379.db2.gz RACAFYHCLCCIDQ-OAHLLOKOSA-N 1 2 355.463 2.628 20 30 FFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000583574072 519319774 /nfs/dbraw/zinc/31/97/74/519319774.db2.gz NISOZBCDVZXPII-RDTXWAMCSA-N 1 2 371.872 2.651 20 30 FFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000583574072 519319780 /nfs/dbraw/zinc/31/97/80/519319780.db2.gz NISOZBCDVZXPII-RDTXWAMCSA-N 1 2 371.872 2.651 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCCc1cccc(C#N)c1)c1ccccc1 ZINC000574934768 519411815 /nfs/dbraw/zinc/41/18/15/519411815.db2.gz GCOCMIJWXMCLSE-IBGZPJMESA-N 1 2 359.433 2.923 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000572410236 519600875 /nfs/dbraw/zinc/60/08/75/519600875.db2.gz TZICOAIHRMGWRN-FQEVSTJZSA-N 1 2 365.437 2.904 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000584148350 519611922 /nfs/dbraw/zinc/61/19/22/519611922.db2.gz LEOZEHIENARSPP-GOSISDBHSA-N 1 2 360.845 2.888 20 30 FFEDLO C[C@H](O)C[N@@H+]1CCN(c2c(Br)cc(Cl)cc2C#N)C[C@H]1C ZINC000584149627 519612861 /nfs/dbraw/zinc/61/28/61/519612861.db2.gz BETQOTKXWASHIS-MNOVXSKESA-N 1 2 372.694 2.865 20 30 FFEDLO C[C@H](O)C[N@H+]1CCN(c2c(Br)cc(Cl)cc2C#N)C[C@H]1C ZINC000584149627 519612863 /nfs/dbraw/zinc/61/28/63/519612863.db2.gz BETQOTKXWASHIS-MNOVXSKESA-N 1 2 372.694 2.865 20 30 FFEDLO C[C@@H](O)C[N@@H+]1CCN(c2c(Br)cc(Cl)cc2C#N)C[C@@H]1C ZINC000584149629 519613074 /nfs/dbraw/zinc/61/30/74/519613074.db2.gz BETQOTKXWASHIS-WDEREUQCSA-N 1 2 372.694 2.865 20 30 FFEDLO C[C@@H](O)C[N@H+]1CCN(c2c(Br)cc(Cl)cc2C#N)C[C@@H]1C ZINC000584149629 519613078 /nfs/dbraw/zinc/61/30/78/519613078.db2.gz BETQOTKXWASHIS-WDEREUQCSA-N 1 2 372.694 2.865 20 30 FFEDLO Cc1sc2nc([C@H](C)[N@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)nc(N)c2c1C ZINC000602853540 519925951 /nfs/dbraw/zinc/92/59/51/519925951.db2.gz JTISAULDWPWUHB-LOWVWBTDSA-N 1 2 358.515 2.870 20 30 FFEDLO Cc1sc2nc([C@H](C)[N@@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)nc(N)c2c1C ZINC000602853540 519925958 /nfs/dbraw/zinc/92/59/58/519925958.db2.gz JTISAULDWPWUHB-LOWVWBTDSA-N 1 2 358.515 2.870 20 30 FFEDLO COC(=O)c1ccc(-c2nc(C[NH+]3C[C@@H](C)N(CC#N)[C@H](C)C3)co2)cc1 ZINC000602853900 519927442 /nfs/dbraw/zinc/92/74/42/519927442.db2.gz MQFUPKZYKCEFGA-HUUCEWRRSA-N 1 2 368.437 2.546 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857114 519928240 /nfs/dbraw/zinc/92/82/40/519928240.db2.gz OTSFZGAGNKFDSP-MJBXVCDLSA-N 1 2 368.403 2.951 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857114 519928244 /nfs/dbraw/zinc/92/82/44/519928244.db2.gz OTSFZGAGNKFDSP-MJBXVCDLSA-N 1 2 368.403 2.951 20 30 FFEDLO CC(C)C[C@H](NC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1)c1ccccc1 ZINC000602857308 519929436 /nfs/dbraw/zinc/92/94/36/519929436.db2.gz QPNFOLYCYODKNE-GGPKGHCWSA-N 1 2 356.514 2.808 20 30 FFEDLO Cc1ccc(F)c(N2CCC[C@H]([NH+]3C[C@@H](C)N(CC#N)[C@H](C)C3)C2=O)c1 ZINC000602859478 519934179 /nfs/dbraw/zinc/93/41/79/519934179.db2.gz YXTXNQVPAYKKMY-NUJGCVRESA-N 1 2 358.461 2.548 20 30 FFEDLO C=CCOc1ccccc1CNc1nc2cc(OC)c(OC)cc2c(N)[nH+]1 ZINC000599943729 519963532 /nfs/dbraw/zinc/96/35/32/519963532.db2.gz FCKBISMGJLUGSG-UHFFFAOYSA-N 1 2 366.421 2.658 20 30 FFEDLO CCOc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@H]2CCC[C@H]2C#N)cc1OC ZINC000602977935 520003482 /nfs/dbraw/zinc/00/34/82/520003482.db2.gz IYPULTWTIFFGKM-XIRDDKMYSA-N 1 2 359.470 2.895 20 30 FFEDLO CCOc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1OC ZINC000602977935 520003485 /nfs/dbraw/zinc/00/34/85/520003485.db2.gz IYPULTWTIFFGKM-XIRDDKMYSA-N 1 2 359.470 2.895 20 30 FFEDLO C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)[C@@H]1CCC[C@H]1C#N ZINC000602978764 520003499 /nfs/dbraw/zinc/00/34/99/520003499.db2.gz WDDSEZRFVMCNED-SMDDNHRTSA-N 1 2 361.243 2.581 20 30 FFEDLO C[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)[C@@H]1CCC[C@H]1C#N ZINC000602978764 520003504 /nfs/dbraw/zinc/00/35/04/520003504.db2.gz WDDSEZRFVMCNED-SMDDNHRTSA-N 1 2 361.243 2.581 20 30 FFEDLO CCCOc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@H](CC#N)C3)C2=O)cc1 ZINC000594661137 520072481 /nfs/dbraw/zinc/07/24/81/520072481.db2.gz VVXBZFUYAFCYKW-CRAIPNDOSA-N 1 2 355.438 2.733 20 30 FFEDLO CCCOc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@H](CC#N)C3)C2=O)cc1 ZINC000594661137 520072488 /nfs/dbraw/zinc/07/24/88/520072488.db2.gz VVXBZFUYAFCYKW-CRAIPNDOSA-N 1 2 355.438 2.733 20 30 FFEDLO C[C@H](C#N)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000600146493 520080038 /nfs/dbraw/zinc/08/00/38/520080038.db2.gz WZJXLWUKFHUHMW-CYBMUJFWSA-N 1 2 372.296 2.954 20 30 FFEDLO N#Cc1cc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccn1 ZINC000603128738 520094371 /nfs/dbraw/zinc/09/43/71/520094371.db2.gz ZDVFDGJEHAPQPZ-CQSZACIVSA-N 1 2 350.426 2.898 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccnc(C#N)c3)CC2)cc1 ZINC000603137390 520099788 /nfs/dbraw/zinc/09/97/88/520099788.db2.gz GGMDIFQTLKBDNQ-UHFFFAOYSA-N 1 2 365.437 2.702 20 30 FFEDLO Cc1ccc(CC2C[NH+](CCS(=O)(=O)c3cccc(C#N)c3)C2)cc1 ZINC000594733329 520121051 /nfs/dbraw/zinc/12/10/51/520121051.db2.gz VTGIJNHGUXGUHB-UHFFFAOYSA-N 1 2 354.475 2.815 20 30 FFEDLO CC[C@@H]([NH2+]Cc1ccncc1C#N)c1ccccc1OCC(=O)N(C)C ZINC000592093221 520177215 /nfs/dbraw/zinc/17/72/15/520177215.db2.gz LUNBDVDXDKEHJT-GOSISDBHSA-N 1 2 352.438 2.661 20 30 FFEDLO COC1CC[NH+](Cc2cn(Cc3ccccc3C(C)(C)C#N)nn2)CC1 ZINC000603251866 520183537 /nfs/dbraw/zinc/18/35/37/520183537.db2.gz WZNPPQGAVNFBDM-UHFFFAOYSA-N 1 2 353.470 2.738 20 30 FFEDLO Cc1cccn2cc(CN3CCN(c4oc(C5CC5)nc4C#N)CC3)[nH+]c12 ZINC000609101273 520192193 /nfs/dbraw/zinc/19/21/93/520192193.db2.gz LFJXWSUSJWUHFX-UHFFFAOYSA-N 1 2 362.437 2.702 20 30 FFEDLO Cc1cc(NCCNC(=O)[C@H](C)Cc2ccc(C#N)cc2)nc(C(C)C)[nH+]1 ZINC000600364479 520224135 /nfs/dbraw/zinc/22/41/35/520224135.db2.gz NDOVOFQCFVBGHT-OAHLLOKOSA-N 1 2 365.481 2.609 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000592149500 520225570 /nfs/dbraw/zinc/22/55/70/520225570.db2.gz QCZASZJBATUYRT-RTWAWAEBSA-N 1 2 355.482 2.775 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000592149500 520225573 /nfs/dbraw/zinc/22/55/73/520225573.db2.gz QCZASZJBATUYRT-RTWAWAEBSA-N 1 2 355.482 2.775 20 30 FFEDLO CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609485652 520327993 /nfs/dbraw/zinc/32/79/93/520327993.db2.gz UQFXTUKLCOTZHD-PMACEKPBSA-N 1 2 356.514 2.762 20 30 FFEDLO CC(C)CNC(=O)c1cccc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)c1 ZINC000609485086 520328058 /nfs/dbraw/zinc/32/80/58/520328058.db2.gz INKWIOUOCJBFOO-HXUWFJFHSA-N 1 2 356.514 2.738 20 30 FFEDLO CC(C)c1ccc(CCNC(=O)C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)cc1 ZINC000609486963 520329948 /nfs/dbraw/zinc/32/99/48/520329948.db2.gz UUROZEAFXBZJPI-NRFANRHFSA-N 1 2 370.541 2.634 20 30 FFEDLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609538547 520347769 /nfs/dbraw/zinc/34/77/69/520347769.db2.gz LOKCCQNPDPKWQK-RTBURBONSA-N 1 2 358.486 2.578 20 30 FFEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H]1CCN(CCC(=O)OC)C1=O ZINC000595287584 520386989 /nfs/dbraw/zinc/38/69/89/520386989.db2.gz FQUVDPLPDORJAE-ZDUSSCGKSA-N 1 2 356.875 2.554 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCN(CCC(=O)OC)C1=O ZINC000595287584 520386991 /nfs/dbraw/zinc/38/69/91/520386991.db2.gz FQUVDPLPDORJAE-ZDUSSCGKSA-N 1 2 356.875 2.554 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](C)C[C@H](C)C#N)c1CN(C)C[C@H](C)C#N ZINC000595302643 520395771 /nfs/dbraw/zinc/39/57/71/520395771.db2.gz WJWGPQLFPXZTTA-HZPDHXFCSA-N 1 2 356.470 2.656 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](C)C[C@H](C)C#N)c1CN(C)C[C@H](C)C#N ZINC000595302643 520395776 /nfs/dbraw/zinc/39/57/76/520395776.db2.gz WJWGPQLFPXZTTA-HZPDHXFCSA-N 1 2 356.470 2.656 20 30 FFEDLO CC(=O)NCC[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(C)s1 ZINC000603926639 520407956 /nfs/dbraw/zinc/40/79/56/520407956.db2.gz YYPJFNNTPXQSKV-UHFFFAOYSA-N 1 2 370.478 2.505 20 30 FFEDLO CC(=O)NCC[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(C)s1 ZINC000603926639 520407964 /nfs/dbraw/zinc/40/79/64/520407964.db2.gz YYPJFNNTPXQSKV-UHFFFAOYSA-N 1 2 370.478 2.505 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCOC3CCCCC3)CC2)cc1 ZINC000604109876 520454072 /nfs/dbraw/zinc/45/40/72/520454072.db2.gz BVILCSOZMOZXFG-UHFFFAOYSA-N 1 2 370.497 2.735 20 30 FFEDLO N#CC1(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CCCCC1 ZINC000595439304 520472490 /nfs/dbraw/zinc/47/24/90/520472490.db2.gz XCVURFILFYFENT-LJQANCHMSA-N 1 2 370.497 2.833 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1CC1 ZINC000604276186 520503975 /nfs/dbraw/zinc/50/39/75/520503975.db2.gz GWXJDWJUMCJFKC-LOWVWBTDSA-N 1 2 371.325 2.858 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1CC1 ZINC000604276186 520503983 /nfs/dbraw/zinc/50/39/83/520503983.db2.gz GWXJDWJUMCJFKC-LOWVWBTDSA-N 1 2 371.325 2.858 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](c3ccccn3)C2)C1=O ZINC000595502415 520511393 /nfs/dbraw/zinc/51/13/93/520511393.db2.gz UDFFTJKXFKFKBL-WBVHZDCISA-N 1 2 352.463 3.000 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](c3ccccn3)C2)C1=O ZINC000595502415 520511398 /nfs/dbraw/zinc/51/13/98/520511398.db2.gz UDFFTJKXFKFKBL-WBVHZDCISA-N 1 2 352.463 3.000 20 30 FFEDLO C[C@]1(C#N)CCN(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000595501098 520512420 /nfs/dbraw/zinc/51/24/20/520512420.db2.gz SORKGDFAUBCSQC-IFXJQAMLSA-N 1 2 362.424 2.874 20 30 FFEDLO C[C@]1(C#N)CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000595501098 520512430 /nfs/dbraw/zinc/51/24/30/520512430.db2.gz SORKGDFAUBCSQC-IFXJQAMLSA-N 1 2 362.424 2.874 20 30 FFEDLO C[NH+](C)[C@@H](CNC(=O)NCCc1ccc(C#N)cc1)c1c(F)cccc1F ZINC000595549747 520544887 /nfs/dbraw/zinc/54/48/87/520544887.db2.gz LYAYTVARCDWAHN-SFHVURJKSA-N 1 2 372.419 2.981 20 30 FFEDLO COc1cc(-c2nnc(C[N@@H+]3CCC[C@H](CC#N)C3)o2)cc(OC)c1OC ZINC000595611555 520591715 /nfs/dbraw/zinc/59/17/15/520591715.db2.gz KYUVODICKKZOKF-CYBMUJFWSA-N 1 2 372.425 2.888 20 30 FFEDLO COc1cc(-c2nnc(C[N@H+]3CCC[C@H](CC#N)C3)o2)cc(OC)c1OC ZINC000595611555 520591721 /nfs/dbraw/zinc/59/17/21/520591721.db2.gz KYUVODICKKZOKF-CYBMUJFWSA-N 1 2 372.425 2.888 20 30 FFEDLO COc1cc(OC)c(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)cc1Cl ZINC000595613970 520595214 /nfs/dbraw/zinc/59/52/14/520595214.db2.gz GLTWPEJEQIZPIZ-LBPRGKRZSA-N 1 2 351.834 2.921 20 30 FFEDLO COc1cc(OC)c(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)cc1Cl ZINC000595613970 520595221 /nfs/dbraw/zinc/59/52/21/520595221.db2.gz GLTWPEJEQIZPIZ-LBPRGKRZSA-N 1 2 351.834 2.921 20 30 FFEDLO COc1cccc([C@H](NC(=O)Cc2ccc(C#N)cc2)c2[nH+]ccn2C)c1 ZINC000604547878 520596277 /nfs/dbraw/zinc/59/62/77/520596277.db2.gz CANYDHULAFAKTL-FQEVSTJZSA-N 1 2 360.417 2.749 20 30 FFEDLO CCN(C(=O)C[NH+]1CCN(c2ccsc2C#N)CC1)c1ccccc1 ZINC000595632665 520609821 /nfs/dbraw/zinc/60/98/21/520609821.db2.gz OLXBTYMZBLZJKI-UHFFFAOYSA-N 1 2 354.479 2.795 20 30 FFEDLO N#CC1(NC(=O)C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)CCC1 ZINC000595658057 520629456 /nfs/dbraw/zinc/62/94/56/520629456.db2.gz FLVYJQDPXLHLTG-UHFFFAOYSA-N 1 2 367.280 2.678 20 30 FFEDLO Cc1cncc(CC[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)n1 ZINC000593029263 520693041 /nfs/dbraw/zinc/69/30/41/520693041.db2.gz QNXATIGKXRYHRT-IBGZPJMESA-N 1 2 355.873 2.863 20 30 FFEDLO C[N@@H+](Cc1nc2c(s1)CCCC2)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610477095 520706590 /nfs/dbraw/zinc/70/65/90/520706590.db2.gz GLJHDWHMLVEOFZ-MRXNPFEDSA-N 1 2 371.506 2.960 20 30 FFEDLO C[N@H+](Cc1nc2c(s1)CCCC2)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610477095 520706597 /nfs/dbraw/zinc/70/65/97/520706597.db2.gz GLJHDWHMLVEOFZ-MRXNPFEDSA-N 1 2 371.506 2.960 20 30 FFEDLO CN(CCC#N)C(=O)CC[NH2+]C1(C(=O)OC(C)(C)C)CCCCCC1 ZINC000593061826 520716809 /nfs/dbraw/zinc/71/68/09/520716809.db2.gz AHZVRYQMBHMPEV-UHFFFAOYSA-N 1 2 351.491 2.773 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](CC)OC[C@@H]2C)cc1 ZINC000593063827 520717413 /nfs/dbraw/zinc/71/74/13/520717413.db2.gz OTARZXPWAMHODD-FUHWJXTLSA-N 1 2 359.470 2.831 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](CC)OC[C@@H]2C)cc1 ZINC000593063827 520717423 /nfs/dbraw/zinc/71/74/23/520717423.db2.gz OTARZXPWAMHODD-FUHWJXTLSA-N 1 2 359.470 2.831 20 30 FFEDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2C[C@H](O)CC(C)(C)C#N)n1 ZINC000598608092 520740853 /nfs/dbraw/zinc/74/08/53/520740853.db2.gz FEEPUCAYENTRET-OCCSQVGLSA-N 1 2 351.472 2.757 20 30 FFEDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)n1 ZINC000598608092 520740860 /nfs/dbraw/zinc/74/08/60/520740860.db2.gz FEEPUCAYENTRET-OCCSQVGLSA-N 1 2 351.472 2.757 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCOC(C3CC3)(C3CC3)C2)C1=O ZINC000595821333 520744813 /nfs/dbraw/zinc/74/48/13/520744813.db2.gz DIFKPFMPMLDLPW-MRXNPFEDSA-N 1 2 357.479 2.616 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCOC(C3CC3)(C3CC3)C2)C1=O ZINC000595821333 520744819 /nfs/dbraw/zinc/74/48/19/520744819.db2.gz DIFKPFMPMLDLPW-MRXNPFEDSA-N 1 2 357.479 2.616 20 30 FFEDLO Cc1nccc([C@@H]2CCC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000610581022 520748699 /nfs/dbraw/zinc/74/86/99/520748699.db2.gz XZIQBWOHBIVONU-NVXWUHKLSA-N 1 2 367.478 2.703 20 30 FFEDLO Cc1nccc([C@@H]2CCC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000610581022 520748707 /nfs/dbraw/zinc/74/87/07/520748707.db2.gz XZIQBWOHBIVONU-NVXWUHKLSA-N 1 2 367.478 2.703 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593109550 520752770 /nfs/dbraw/zinc/75/27/70/520752770.db2.gz KTIBUCLMZVGQIX-ZDUSSCGKSA-N 1 2 373.254 2.613 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@@](C)(C#N)C2)c(OC)c1 ZINC000595837464 520757673 /nfs/dbraw/zinc/75/76/73/520757673.db2.gz HKCKLIWUTLAKIV-PXNSSMCTSA-N 1 2 357.454 2.603 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@@](C)(C#N)C2)c(OC)c1 ZINC000595837464 520757684 /nfs/dbraw/zinc/75/76/84/520757684.db2.gz HKCKLIWUTLAKIV-PXNSSMCTSA-N 1 2 357.454 2.603 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCOc4ccc(O)cc4C3)C2=O)cc1 ZINC000595843915 520758982 /nfs/dbraw/zinc/75/89/82/520758982.db2.gz DOCJBVOZAJUATQ-LJQANCHMSA-N 1 2 363.417 2.654 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCOc4ccc(O)cc4C3)C2=O)cc1 ZINC000595843915 520758990 /nfs/dbraw/zinc/75/89/90/520758990.db2.gz DOCJBVOZAJUATQ-LJQANCHMSA-N 1 2 363.417 2.654 20 30 FFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000595844287 520761468 /nfs/dbraw/zinc/76/14/68/520761468.db2.gz GJRJLTRFJIFWRP-ZGOJQLDESA-N 1 2 371.481 2.906 20 30 FFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCOc2ccc(O)cc2C1 ZINC000595844287 520761475 /nfs/dbraw/zinc/76/14/75/520761475.db2.gz GJRJLTRFJIFWRP-ZGOJQLDESA-N 1 2 371.481 2.906 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1ccccc1CC#N ZINC000601411297 520777343 /nfs/dbraw/zinc/77/73/43/520777343.db2.gz RHJIRZBMDVGKBW-MRXNPFEDSA-N 1 2 358.467 2.885 20 30 FFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593169437 520794224 /nfs/dbraw/zinc/79/42/24/520794224.db2.gz XCSIUWHXNTUPEP-NSHDSACASA-N 1 2 361.243 2.957 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000595890454 520797008 /nfs/dbraw/zinc/79/70/08/520797008.db2.gz MLBJEOUSPVTIFG-JSGCOSHPSA-N 1 2 358.360 2.987 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000595890454 520797010 /nfs/dbraw/zinc/79/70/10/520797010.db2.gz MLBJEOUSPVTIFG-JSGCOSHPSA-N 1 2 358.360 2.987 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CC(c4nc5ccccc5[nH]4)C3)C2=O)cc1 ZINC000610701475 520803818 /nfs/dbraw/zinc/80/38/18/520803818.db2.gz NZOVTHIGABVOGC-IBGZPJMESA-N 1 2 357.417 2.639 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000610721842 520815585 /nfs/dbraw/zinc/81/55/85/520815585.db2.gz RXXHLYGZPDSUKV-IEBWSBKVSA-N 1 2 358.463 2.627 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000610721842 520815593 /nfs/dbraw/zinc/81/55/93/520815593.db2.gz RXXHLYGZPDSUKV-IEBWSBKVSA-N 1 2 358.463 2.627 20 30 FFEDLO C[C@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000596140101 520933964 /nfs/dbraw/zinc/93/39/64/520933964.db2.gz BNBNZEHWBDOERV-WFASDCNBSA-N 1 2 362.886 2.791 20 30 FFEDLO C[C@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000596140101 520933968 /nfs/dbraw/zinc/93/39/68/520933968.db2.gz BNBNZEHWBDOERV-WFASDCNBSA-N 1 2 362.886 2.791 20 30 FFEDLO N#Cc1ccc(OCc2ccc(C(=O)N[C@@H]3CCn4c[nH+]cc4C3)o2)cc1 ZINC000598947282 520935441 /nfs/dbraw/zinc/93/54/41/520935441.db2.gz LIVQXCHJIPCTLK-OAHLLOKOSA-N 1 2 362.389 2.672 20 30 FFEDLO C[C@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)[NH+]1CCSCC1 ZINC000611012001 520946860 /nfs/dbraw/zinc/94/68/60/520946860.db2.gz AQUFNBKKBMJENE-RISCZKNCSA-N 1 2 357.401 2.824 20 30 FFEDLO Cc1cccn2cc(CCNS(=O)(=O)c3ccc(Cl)cc3C#N)[nH+]c12 ZINC000611024716 520952107 /nfs/dbraw/zinc/95/21/07/520952107.db2.gz PTDVCENQXSYEBR-UHFFFAOYSA-N 1 2 374.853 2.689 20 30 FFEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1)c1ccc2c(c1)CCCC2 ZINC000611174473 521023844 /nfs/dbraw/zinc/02/38/44/521023844.db2.gz FQEJRCDYQYOFMR-ROUUACIJSA-N 1 2 368.525 2.662 20 30 FFEDLO COc1c[nH+]c(N2CCC[C@H](CC#N)C2)nc1N1CCC[C@@H](CC#N)C1 ZINC000596330237 521030467 /nfs/dbraw/zinc/03/04/67/521030467.db2.gz RKJUBUFKNULLSM-JKSUJKDBSA-N 1 2 354.458 2.745 20 30 FFEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000611235888 521052692 /nfs/dbraw/zinc/05/26/92/521052692.db2.gz MHBYXMOAFAPJMJ-UHFFFAOYSA-N 1 2 363.421 2.626 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3cccnc3)CC2)cc1 ZINC000611258787 521061671 /nfs/dbraw/zinc/06/16/71/521061671.db2.gz MURKACYEAAMJMT-UHFFFAOYSA-N 1 2 355.463 2.607 20 30 FFEDLO CC(C)(C)OC(=O)[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000611273408 521072397 /nfs/dbraw/zinc/07/23/97/521072397.db2.gz SCEBCONMBQWUEM-GOSISDBHSA-N 1 2 360.454 2.912 20 30 FFEDLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000611273408 521072401 /nfs/dbraw/zinc/07/24/01/521072401.db2.gz SCEBCONMBQWUEM-GOSISDBHSA-N 1 2 360.454 2.912 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000611322717 521097493 /nfs/dbraw/zinc/09/74/93/521097493.db2.gz MGFMLQWXDGWSQY-IAGOWNOFSA-N 1 2 358.438 2.684 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000611322717 521097496 /nfs/dbraw/zinc/09/74/96/521097496.db2.gz MGFMLQWXDGWSQY-IAGOWNOFSA-N 1 2 358.438 2.684 20 30 FFEDLO CCCC(=O)NC1CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000611346079 521111062 /nfs/dbraw/zinc/11/10/62/521111062.db2.gz NBMBXWUJOTXKCD-UHFFFAOYSA-N 1 2 365.481 2.933 20 30 FFEDLO CC(C)C[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)n1cc[nH+]c1 ZINC000602095602 521138056 /nfs/dbraw/zinc/13/80/56/521138056.db2.gz CCHRUZBDIKAOHO-PMACEKPBSA-N 1 2 365.481 2.707 20 30 FFEDLO C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccsc1 ZINC000611408529 521140978 /nfs/dbraw/zinc/14/09/78/521140978.db2.gz OLFKBVMAJOCLAB-INIZCTEOSA-N 1 2 374.535 2.650 20 30 FFEDLO C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccsc1 ZINC000611408529 521140987 /nfs/dbraw/zinc/14/09/87/521140987.db2.gz OLFKBVMAJOCLAB-INIZCTEOSA-N 1 2 374.535 2.650 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000599365679 521175906 /nfs/dbraw/zinc/17/59/06/521175906.db2.gz GHFSWSLWHQZATD-MSOLQXFVSA-N 1 2 364.873 2.785 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000599365679 521175916 /nfs/dbraw/zinc/17/59/16/521175916.db2.gz GHFSWSLWHQZATD-MSOLQXFVSA-N 1 2 364.873 2.785 20 30 FFEDLO N#Cc1ccc(NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)cc1Cl ZINC000596640114 521183735 /nfs/dbraw/zinc/18/37/35/521183735.db2.gz FGWMFPZINCQGER-UHFFFAOYSA-N 1 2 362.861 2.788 20 30 FFEDLO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553320 521216232 /nfs/dbraw/zinc/21/62/32/521216232.db2.gz WREOCEWFCIQJDO-NSISKUIASA-N 1 2 372.488 2.703 20 30 FFEDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000611554224 521217829 /nfs/dbraw/zinc/21/78/29/521217829.db2.gz IDXINZBKKMSYJV-OCCSQVGLSA-N 1 2 360.401 2.995 20 30 FFEDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000611554224 521217840 /nfs/dbraw/zinc/21/78/40/521217840.db2.gz IDXINZBKKMSYJV-OCCSQVGLSA-N 1 2 360.401 2.995 20 30 FFEDLO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3n[nH]c4ccccc43)CC2)c1 ZINC000593884289 521273348 /nfs/dbraw/zinc/27/33/48/521273348.db2.gz VYNRLZCKPUOANL-UHFFFAOYSA-N 1 2 359.433 2.829 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1C#N ZINC000596802470 521294402 /nfs/dbraw/zinc/29/44/02/521294402.db2.gz XVQLOZXJSIPSEB-HUUCEWRRSA-N 1 2 360.458 2.576 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)cc1C#N ZINC000596802470 521294410 /nfs/dbraw/zinc/29/44/10/521294410.db2.gz XVQLOZXJSIPSEB-HUUCEWRRSA-N 1 2 360.458 2.576 20 30 FFEDLO Cc1cc(F)ccc1N(CC#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000602386030 521312553 /nfs/dbraw/zinc/31/25/53/521312553.db2.gz GUQGEHOHMFGUAJ-FQEVSTJZSA-N 1 2 367.424 2.892 20 30 FFEDLO Cc1cc(F)ccc1N(CC#N)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000602386030 521312557 /nfs/dbraw/zinc/31/25/57/521312557.db2.gz GUQGEHOHMFGUAJ-FQEVSTJZSA-N 1 2 367.424 2.892 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2sccc2C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599590918 521314036 /nfs/dbraw/zinc/31/40/36/521314036.db2.gz SHTPIKDFZPVMDN-OCCSQVGLSA-N 1 2 363.483 2.858 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599590918 521314039 /nfs/dbraw/zinc/31/40/39/521314039.db2.gz SHTPIKDFZPVMDN-OCCSQVGLSA-N 1 2 363.483 2.858 20 30 FFEDLO C[C@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599590255 521315474 /nfs/dbraw/zinc/31/54/74/521315474.db2.gz PJAKKTLPBHWENP-WMLDXEAASA-N 1 2 357.454 2.796 20 30 FFEDLO C[C@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599590255 521315481 /nfs/dbraw/zinc/31/54/81/521315481.db2.gz PJAKKTLPBHWENP-WMLDXEAASA-N 1 2 357.454 2.796 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(CC(F)(F)F)cc1 ZINC000602425583 521337911 /nfs/dbraw/zinc/33/79/11/521337911.db2.gz RICIJSCQAAAMGR-UHFFFAOYSA-N 1 2 355.404 2.839 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000602449185 521351460 /nfs/dbraw/zinc/35/14/60/521351460.db2.gz OIXOXZQVCKWJHU-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000602449185 521351471 /nfs/dbraw/zinc/35/14/71/521351471.db2.gz OIXOXZQVCKWJHU-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO COC(=O)[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)Cc2ccccc21 ZINC000599671511 521386366 /nfs/dbraw/zinc/38/63/66/521386366.db2.gz ZHLNIFIKDDPUGD-KDOFPFPSSA-N 1 2 363.417 2.658 20 30 FFEDLO COC(=O)[C@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)Cc2ccccc21 ZINC000599671511 521386373 /nfs/dbraw/zinc/38/63/73/521386373.db2.gz ZHLNIFIKDDPUGD-KDOFPFPSSA-N 1 2 363.417 2.658 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000599677213 521391815 /nfs/dbraw/zinc/39/18/15/521391815.db2.gz IHWMERKLXVJLBB-NRFANRHFSA-N 1 2 356.429 2.788 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000599677213 521391820 /nfs/dbraw/zinc/39/18/20/521391820.db2.gz IHWMERKLXVJLBB-NRFANRHFSA-N 1 2 356.429 2.788 20 30 FFEDLO COC(=O)[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)Cc2ccccc21 ZINC000599680807 521393902 /nfs/dbraw/zinc/39/39/02/521393902.db2.gz RSWRFMKHQRBQMC-LIRRHRJNSA-N 1 2 363.417 2.658 20 30 FFEDLO COC(=O)[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)Cc2ccccc21 ZINC000599680807 521393909 /nfs/dbraw/zinc/39/39/09/521393909.db2.gz RSWRFMKHQRBQMC-LIRRHRJNSA-N 1 2 363.417 2.658 20 30 FFEDLO N#C[C@@]1(F)CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000615538350 521436129 /nfs/dbraw/zinc/43/61/29/521436129.db2.gz BCLJOGRNSUWZFQ-UGSOOPFHSA-N 1 2 366.387 2.576 20 30 FFEDLO N#C[C@@]1(F)CCN(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000615538350 521436133 /nfs/dbraw/zinc/43/61/33/521436133.db2.gz BCLJOGRNSUWZFQ-UGSOOPFHSA-N 1 2 366.387 2.576 20 30 FFEDLO COc1cc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)c(F)cc1C#N ZINC000599818945 521490084 /nfs/dbraw/zinc/49/00/84/521490084.db2.gz BWNWEPHNERLLPC-UHFFFAOYSA-N 1 2 358.373 2.649 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2cccc(OC3CC3)c2F)CC1 ZINC000597129407 521525869 /nfs/dbraw/zinc/52/58/69/521525869.db2.gz JQSGMVRQQVXQIC-UHFFFAOYSA-N 1 2 352.413 2.956 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(OC(F)(F)F)cc1 ZINC000597183015 521562506 /nfs/dbraw/zinc/56/25/06/521562506.db2.gz FAHAYOGNUQASHT-IUODEOHRSA-N 1 2 364.327 2.725 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)o1 ZINC000597203032 521571176 /nfs/dbraw/zinc/57/11/76/521571176.db2.gz LDTNRWCJTZBKRG-UHFFFAOYSA-N 1 2 358.405 2.735 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1Br ZINC000597228076 521586106 /nfs/dbraw/zinc/58/61/06/521586106.db2.gz CLYOAKFUVXLJEN-MEBBXXQBSA-N 1 2 359.227 2.658 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1Br ZINC000597228076 521586111 /nfs/dbraw/zinc/58/61/11/521586111.db2.gz CLYOAKFUVXLJEN-MEBBXXQBSA-N 1 2 359.227 2.658 20 30 FFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000619720644 521837370 /nfs/dbraw/zinc/83/73/70/521837370.db2.gz NYXZFKZJIRIYCI-OAHLLOKOSA-N 1 2 373.371 2.682 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)cc1OC ZINC000628241662 523433602 /nfs/dbraw/zinc/43/36/02/523433602.db2.gz DFVUAWLRPZMYQL-SWLSCSKDSA-N 1 2 352.862 2.999 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)cc1OC ZINC000628241662 523433610 /nfs/dbraw/zinc/43/36/10/523433610.db2.gz DFVUAWLRPZMYQL-SWLSCSKDSA-N 1 2 352.862 2.999 20 30 FFEDLO NC(=[NH+]OCC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccccc1 ZINC000078609596 728299812 /nfs/dbraw/zinc/29/98/12/728299812.db2.gz XQDWWWAETACJSO-UHFFFAOYSA-N 1 2 355.316 2.508 20 30 FFEDLO C=C[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000128106878 728708056 /nfs/dbraw/zinc/70/80/56/728708056.db2.gz ZHMMMDRPOHDMTB-ZDUSSCGKSA-N 1 2 357.376 2.987 20 30 FFEDLO CC1(C)SC(=O)N(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)C1=O ZINC000132472389 728724588 /nfs/dbraw/zinc/72/45/88/728724588.db2.gz MMQDNKNVDSMEFT-UHFFFAOYSA-N 1 2 358.467 2.502 20 30 FFEDLO CC1(C)SC(=O)N(C[N@H+]2CCCN(c3ccccc3C#N)CC2)C1=O ZINC000132472389 728724589 /nfs/dbraw/zinc/72/45/89/728724589.db2.gz MMQDNKNVDSMEFT-UHFFFAOYSA-N 1 2 358.467 2.502 20 30 FFEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@](C(=O)OCC)(C(C)C)C2)c1=S ZINC000193344535 729475537 /nfs/dbraw/zinc/47/55/37/729475537.db2.gz DXWRETMOVJHZQR-KRWDZBQOSA-N 1 2 352.504 2.777 20 30 FFEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@](C(=O)OCC)(C(C)C)C2)c1=S ZINC000193344535 729475539 /nfs/dbraw/zinc/47/55/39/729475539.db2.gz DXWRETMOVJHZQR-KRWDZBQOSA-N 1 2 352.504 2.777 20 30 FFEDLO C=C(Br)CNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255264861 729634848 /nfs/dbraw/zinc/63/48/48/729634848.db2.gz ANYTUKAMCULHNU-YVMONPNESA-N 1 2 364.287 2.936 20 30 FFEDLO CCOc1ccc(C#N)cc1NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924767294 738445952 /nfs/dbraw/zinc/44/59/52/738445952.db2.gz OJPYNEFMTKHPGR-UHFFFAOYSA-N 1 2 359.455 2.797 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)nn1 ZINC000640880525 730182987 /nfs/dbraw/zinc/18/29/87/730182987.db2.gz YYXCZIUSLUUWEU-GFCCVEGCSA-N 1 2 356.817 2.704 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000859022325 730439740 /nfs/dbraw/zinc/43/97/40/730439740.db2.gz MQWOVIYSUOQZNO-MRXNPFEDSA-N 1 2 363.527 2.566 20 30 FFEDLO C[N@H+](CCOCCNC(=O)OC(C)(C)C)Cc1cc(F)ccc1C#N ZINC000859858839 730467643 /nfs/dbraw/zinc/46/76/43/730467643.db2.gz RPISPOCWTZAXLY-UHFFFAOYSA-N 1 2 351.422 2.670 20 30 FFEDLO C[N@@H+](CCOCCNC(=O)OC(C)(C)C)Cc1cc(F)ccc1C#N ZINC000859858839 730467644 /nfs/dbraw/zinc/46/76/44/730467644.db2.gz RPISPOCWTZAXLY-UHFFFAOYSA-N 1 2 351.422 2.670 20 30 FFEDLO Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CC(=O)NCCC#N ZINC000859912950 730469028 /nfs/dbraw/zinc/46/90/28/730469028.db2.gz IPZQPXXBRSYTEA-OAHLLOKOSA-N 1 2 350.260 2.924 20 30 FFEDLO Cc1cc(Br)ccc1[C@H]1CCC[N@H+]1CC(=O)NCCC#N ZINC000859912950 730469029 /nfs/dbraw/zinc/46/90/29/730469029.db2.gz IPZQPXXBRSYTEA-OAHLLOKOSA-N 1 2 350.260 2.924 20 30 FFEDLO Cn1cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(Br)n1 ZINC000862226821 730678372 /nfs/dbraw/zinc/67/83/72/730678372.db2.gz OZPABCOSDZGLIR-UHFFFAOYSA-N 1 2 374.286 2.767 20 30 FFEDLO Cn1cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c(Br)n1 ZINC000862226821 730678373 /nfs/dbraw/zinc/67/83/73/730678373.db2.gz OZPABCOSDZGLIR-UHFFFAOYSA-N 1 2 374.286 2.767 20 30 FFEDLO CNC(=S)NN=C1CC[N@H+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC000863065227 730748897 /nfs/dbraw/zinc/74/88/97/730748897.db2.gz JULQQSGIWPNTHV-CYBMUJFWSA-N 1 2 355.305 2.666 20 30 FFEDLO CNC(=S)NN=C1CC[N@@H+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC000863065227 730748900 /nfs/dbraw/zinc/74/89/00/730748900.db2.gz JULQQSGIWPNTHV-CYBMUJFWSA-N 1 2 355.305 2.666 20 30 FFEDLO C=CCn1c2ccccc2n(C[N@H+]2CC[C@@](OC)(C(=O)OC)C2)c1=S ZINC000863297299 730765246 /nfs/dbraw/zinc/76/52/46/730765246.db2.gz SALRGZRFMHVRLX-SFHVURJKSA-N 1 2 361.467 2.580 20 30 FFEDLO C=CCn1c2ccccc2n(C[N@@H+]2CC[C@@](OC)(C(=O)OC)C2)c1=S ZINC000863297299 730765248 /nfs/dbraw/zinc/76/52/48/730765248.db2.gz SALRGZRFMHVRLX-SFHVURJKSA-N 1 2 361.467 2.580 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC)CC1 ZINC000780406084 738540935 /nfs/dbraw/zinc/54/09/35/738540935.db2.gz OYYZVRFPQJFKJU-UHFFFAOYSA-N 1 2 361.467 2.878 20 30 FFEDLO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC(F)(F)CNC(=O)OC(C)(C)C ZINC000877429470 732360760 /nfs/dbraw/zinc/36/07/60/732360760.db2.gz HQTMKHHNEOEWEO-ZDUSSCGKSA-N 1 2 361.433 2.835 20 30 FFEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc(SC(F)(F)F)c2)CC1 ZINC000781324235 738617891 /nfs/dbraw/zinc/61/78/91/738617891.db2.gz GZCLNZRWMYKGDV-UHFFFAOYSA-N 1 2 373.444 2.718 20 30 FFEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC000880326163 732891232 /nfs/dbraw/zinc/89/12/32/732891232.db2.gz DVDAVPSEVMOARF-CHWSQXEVSA-N 1 2 352.456 2.535 20 30 FFEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC000880326163 732891235 /nfs/dbraw/zinc/89/12/35/732891235.db2.gz DVDAVPSEVMOARF-CHWSQXEVSA-N 1 2 352.456 2.535 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000884096425 733478580 /nfs/dbraw/zinc/47/85/80/733478580.db2.gz UZLVCAMDAGREAL-WBMJQRKESA-N 1 2 350.846 2.839 20 30 FFEDLO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)C[C@@H](O)CC2(C#N)CCC2)n1 ZINC000886027825 733741397 /nfs/dbraw/zinc/74/13/97/733741397.db2.gz IVMCGSXJTRCHSR-GJZGRUSLSA-N 1 2 350.463 2.680 20 30 FFEDLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)n1 ZINC000886027825 733741399 /nfs/dbraw/zinc/74/13/99/733741399.db2.gz IVMCGSXJTRCHSR-GJZGRUSLSA-N 1 2 350.463 2.680 20 30 FFEDLO C[C@@H]1C[C@H](C)CN(C(=O)CO[NH+]=C(N)c2ccc(Br)cc2)C1 ZINC000782948163 738767103 /nfs/dbraw/zinc/76/71/03/738767103.db2.gz HUTSDHDPJCWGJD-TXEJJXNPSA-N 1 2 368.275 2.591 20 30 FFEDLO NC(=[NH+]OCC(=O)NC1CCCCCC1)c1ccc(Br)cc1 ZINC000782949504 738767300 /nfs/dbraw/zinc/76/73/00/738767300.db2.gz WFSONMKSXSTIPJ-UHFFFAOYSA-N 1 2 368.275 2.925 20 30 FFEDLO C[NH+](C)Cc1csc(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)n1 ZINC000927764361 738779444 /nfs/dbraw/zinc/77/94/44/738779444.db2.gz YVPZDJMQCAXNKF-UHFFFAOYSA-N 1 2 360.458 2.809 20 30 FFEDLO O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000683021914 734118568 /nfs/dbraw/zinc/11/85/68/734118568.db2.gz NGJZJOFXDZPJAB-FQEVSTJZSA-N 1 2 354.475 2.944 20 30 FFEDLO O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000683021914 734118571 /nfs/dbraw/zinc/11/85/71/734118571.db2.gz NGJZJOFXDZPJAB-FQEVSTJZSA-N 1 2 354.475 2.944 20 30 FFEDLO N#Cc1ccc(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)c(F)c1 ZINC000894234984 734822513 /nfs/dbraw/zinc/82/25/13/734822513.db2.gz NHWNLAQOFMBNBQ-UHFFFAOYSA-N 1 2 366.849 2.934 20 30 FFEDLO C#CC[C@@H]([NH2+]Cc1c(I)cnn1C)c1ccccc1 ZINC000894362334 734845998 /nfs/dbraw/zinc/84/59/98/734845998.db2.gz SVWIAXQWHWBVON-CQSZACIVSA-N 1 2 365.218 2.879 20 30 FFEDLO C#CC1(O)CC[NH+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000895383510 734998698 /nfs/dbraw/zinc/99/86/98/734998698.db2.gz WWQDDWFDDABVSM-UHFFFAOYSA-N 1 2 360.255 2.799 20 30 FFEDLO Cc1c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cnn1CCC#N ZINC000895561926 735024432 /nfs/dbraw/zinc/02/44/32/735024432.db2.gz YRUNSXOJOWSANM-UHFFFAOYSA-N 1 2 358.471 2.800 20 30 FFEDLO C/C(=C\C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)C[NH+]1CCOCC1 ZINC000900634795 735672230 /nfs/dbraw/zinc/67/22/30/735672230.db2.gz WCKSGSGHRYOYTJ-SAAWKEMMSA-N 1 2 368.264 2.953 20 30 FFEDLO Cc1[nH]c(/C=C/C(=O)c2ccc(S(=O)(=O)CC(F)F)cc2)[nH+]c1C ZINC000901477107 735783779 /nfs/dbraw/zinc/78/37/79/735783779.db2.gz LXVPNEROTVFRNT-BQYQJAHWSA-N 1 2 354.378 2.961 20 30 FFEDLO CC(=NNC(=S)N[C@@H](C)C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000751530349 735890759 /nfs/dbraw/zinc/89/07/59/735890759.db2.gz XELIAAMMZCCCOH-KBXCAEBGSA-N 1 2 360.527 2.526 20 30 FFEDLO CC(=NNC(=S)N[C@@H](C)C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000751530349 735890762 /nfs/dbraw/zinc/89/07/62/735890762.db2.gz XELIAAMMZCCCOH-KBXCAEBGSA-N 1 2 360.527 2.526 20 30 FFEDLO O=C1Nc2c(ccc(Cl)c2Cl)C1=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753934767 736108027 /nfs/dbraw/zinc/10/80/27/736108027.db2.gz KJCITKQKKYGZCQ-NXEZZACHSA-N 1 2 352.225 2.510 20 30 FFEDLO C[C@H]1CC(=NN2C(=S)N=NC2COc2ccc(F)cc2)C[N@@H+]1C1CC1 ZINC000753954647 736110268 /nfs/dbraw/zinc/11/02/68/736110268.db2.gz HAFQUNOCAUJVFQ-NSHDSACASA-N 1 2 361.446 2.746 20 30 FFEDLO C[C@H]1CC(=NN2C(=S)N=NC2COc2ccc(F)cc2)C[N@H+]1C1CC1 ZINC000753954647 736110271 /nfs/dbraw/zinc/11/02/71/736110271.db2.gz HAFQUNOCAUJVFQ-NSHDSACASA-N 1 2 361.446 2.746 20 30 FFEDLO C#CCOCCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000755511159 736258683 /nfs/dbraw/zinc/25/86/83/736258683.db2.gz PHNGMDSZWIMNQR-INIZCTEOSA-N 1 2 352.837 2.772 20 30 FFEDLO C=CCN1CC(=O)N([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1=O ZINC000761266777 736715496 /nfs/dbraw/zinc/71/54/96/736715496.db2.gz MUKBGMFKKFUVSQ-OAHLLOKOSA-N 1 2 365.836 2.894 20 30 FFEDLO C=CCN1CC(=O)N([C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1=O ZINC000761266777 736715499 /nfs/dbraw/zinc/71/54/99/736715499.db2.gz MUKBGMFKKFUVSQ-OAHLLOKOSA-N 1 2 365.836 2.894 20 30 FFEDLO C=CCn1c(SCc2cc[nH+]c(N(C)C)c2)nnc1-c1cnccn1 ZINC000762477753 736828598 /nfs/dbraw/zinc/82/85/98/736828598.db2.gz CVPCHMMSEGXYAC-UHFFFAOYSA-N 1 2 353.455 2.674 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000929148367 738948474 /nfs/dbraw/zinc/94/84/74/738948474.db2.gz BHXMASNZDFCGJY-HUUCEWRRSA-N 1 2 354.376 2.575 20 30 FFEDLO COc1nc(N(C)C)sc1C=[NH+][N-]c1[nH]c2cc(F)c(F)cc2[nH+]1 ZINC000912823877 737344197 /nfs/dbraw/zinc/34/41/97/737344197.db2.gz ZHNKJNXWIRUFSO-UHFFFAOYSA-N 1 2 352.370 2.818 20 30 FFEDLO COCC[C@H](C)O[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000769843050 737572844 /nfs/dbraw/zinc/57/28/44/737572844.db2.gz VKLLKAMSZJXXAN-ZDUSSCGKSA-N 1 2 351.447 2.773 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920623878 737917264 /nfs/dbraw/zinc/91/72/64/737917264.db2.gz BPKHEQOESYLDRM-UHFFFAOYSA-N 1 2 356.451 2.527 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000932825665 739526521 /nfs/dbraw/zinc/52/65/21/739526521.db2.gz CIAHTOOUIFMPMM-LBPRGKRZSA-N 1 2 355.360 2.522 20 30 FFEDLO C#CC[N@@H+](C[C@@H](C)c1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000800355921 740515872 /nfs/dbraw/zinc/51/58/72/740515872.db2.gz PDAOOQNCYICIPQ-CZUORRHYSA-N 1 2 359.413 2.931 20 30 FFEDLO C#CC[N@H+](C[C@@H](C)c1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000800355921 740515877 /nfs/dbraw/zinc/51/58/77/740515877.db2.gz PDAOOQNCYICIPQ-CZUORRHYSA-N 1 2 359.413 2.931 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000959999258 740607519 /nfs/dbraw/zinc/60/75/19/740607519.db2.gz CITHTPDYGOFIOM-UKRFAEJPSA-N 1 2 351.288 2.544 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000959999258 740607522 /nfs/dbraw/zinc/60/75/22/740607522.db2.gz CITHTPDYGOFIOM-UKRFAEJPSA-N 1 2 351.288 2.544 20 30 FFEDLO CC(=O)NCC[N@@H+](CCO[C@@H](C)C#N)Cc1ccc(Cl)cc1Cl ZINC000801955651 740667849 /nfs/dbraw/zinc/66/78/49/740667849.db2.gz UWWLRJIPRMHFCJ-LBPRGKRZSA-N 1 2 358.269 2.860 20 30 FFEDLO CC(=O)NCC[N@H+](CCO[C@@H](C)C#N)Cc1ccc(Cl)cc1Cl ZINC000801955651 740667850 /nfs/dbraw/zinc/66/78/50/740667850.db2.gz UWWLRJIPRMHFCJ-LBPRGKRZSA-N 1 2 358.269 2.860 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2ccnc(Cl)c2)CC1(C)C ZINC000975068604 740921781 /nfs/dbraw/zinc/92/17/81/740921781.db2.gz XNXWYLIYPQTVJO-PMPSAXMXSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2ccnc(Cl)c2)CC1(C)C ZINC000975068604 740921784 /nfs/dbraw/zinc/92/17/84/740921784.db2.gz XNXWYLIYPQTVJO-PMPSAXMXSA-N 1 2 363.889 2.653 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)c1C#N ZINC000811512937 741531982 /nfs/dbraw/zinc/53/19/82/741531982.db2.gz BDAIYVQTEHZQLA-UHFFFAOYSA-N 1 2 359.474 2.851 20 30 FFEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccncc2)CC1 ZINC001002847846 742175431 /nfs/dbraw/zinc/17/54/31/742175431.db2.gz CNPZMWRXNSRFDW-JKSUJKDBSA-N 1 2 364.287 2.674 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001008561559 742381135 /nfs/dbraw/zinc/38/11/35/742381135.db2.gz YWNZMOSEXJQTOT-JZXOWHBKSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC001008561559 742381139 /nfs/dbraw/zinc/38/11/39/742381139.db2.gz YWNZMOSEXJQTOT-JZXOWHBKSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001015722124 742479005 /nfs/dbraw/zinc/47/90/05/742479005.db2.gz TUUVSSGZPWNSRC-FMKPAKJESA-N 1 2 352.837 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001015722124 742479008 /nfs/dbraw/zinc/47/90/08/742479008.db2.gz TUUVSSGZPWNSRC-FMKPAKJESA-N 1 2 352.837 2.761 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001015826972 742484351 /nfs/dbraw/zinc/48/43/51/742484351.db2.gz LANDXVGPZQPZMS-MPGHIAIKSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001015826972 742484352 /nfs/dbraw/zinc/48/43/52/742484352.db2.gz LANDXVGPZQPZMS-MPGHIAIKSA-N 1 2 350.409 2.637 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001028144127 742786676 /nfs/dbraw/zinc/78/66/76/742786676.db2.gz VZUBMGMUCMXDTK-SUMDDJOVSA-N 1 2 360.885 2.697 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC001028144127 742786678 /nfs/dbraw/zinc/78/66/78/742786678.db2.gz VZUBMGMUCMXDTK-SUMDDJOVSA-N 1 2 360.885 2.697 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001031743740 742845313 /nfs/dbraw/zinc/84/53/13/742845313.db2.gz HUNNXKPRADQXDA-MJGOQNOKSA-N 1 2 360.885 2.555 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC001033433338 742887568 /nfs/dbraw/zinc/88/75/68/742887568.db2.gz UXXFHBYJRKSDFW-BBWFWOEESA-N 1 2 361.511 2.644 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC001033433338 742887579 /nfs/dbraw/zinc/88/75/79/742887579.db2.gz UXXFHBYJRKSDFW-BBWFWOEESA-N 1 2 361.511 2.644 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cc(OC)ccc1Cl ZINC001038714105 742978110 /nfs/dbraw/zinc/97/81/10/742978110.db2.gz JQZDXSIGZUCKJY-LESCRADOSA-N 1 2 364.873 2.630 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(OC)ccc1Cl ZINC001038714105 742978117 /nfs/dbraw/zinc/97/81/17/742978117.db2.gz JQZDXSIGZUCKJY-LESCRADOSA-N 1 2 364.873 2.630 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(F)(F)F ZINC001039593598 742993100 /nfs/dbraw/zinc/99/31/00/742993100.db2.gz UHYVBMSURFDBSA-QXSJWSMHSA-N 1 2 360.420 2.985 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(F)(F)F ZINC001039593598 742993103 /nfs/dbraw/zinc/99/31/03/742993103.db2.gz UHYVBMSURFDBSA-QXSJWSMHSA-N 1 2 360.420 2.985 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cscn1 ZINC001045863008 743309267 /nfs/dbraw/zinc/30/92/67/743309267.db2.gz HRCNCQPAJFNYRB-OWSLCNJRSA-N 1 2 361.511 2.690 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cscn1 ZINC001045863008 743309273 /nfs/dbraw/zinc/30/92/73/743309273.db2.gz HRCNCQPAJFNYRB-OWSLCNJRSA-N 1 2 361.511 2.690 20 30 FFEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000830584662 745388304 /nfs/dbraw/zinc/38/83/04/745388304.db2.gz WNUJCFHLHVIDBO-AWEZNQCLSA-N 1 2 366.259 2.983 20 30 FFEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000830584662 745388309 /nfs/dbraw/zinc/38/83/09/745388309.db2.gz WNUJCFHLHVIDBO-AWEZNQCLSA-N 1 2 366.259 2.983 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000831695401 745570254 /nfs/dbraw/zinc/57/02/54/745570254.db2.gz PSVPFKWSSGSQQT-OAHLLOKOSA-N 1 2 361.829 2.612 20 30 FFEDLO CC(NNc1ccc(S(=O)(=O)NC2CCCC2)c[nH+]1)=C1CC1(F)F ZINC000841618299 747420125 /nfs/dbraw/zinc/42/01/25/747420125.db2.gz RJXLXTHYQCMSED-ZDUSSCGKSA-N 1 2 358.414 2.746 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1ccc(F)cc1I)[C@H]1CCCO1 ZINC000841872820 747480276 /nfs/dbraw/zinc/48/02/76/747480276.db2.gz QHKFNRKTJHEKPF-ZIAGYGMSSA-N 1 2 359.182 2.701 20 30 FFEDLO CCS(=O)(=O)c1ccc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1 ZINC000844369959 748014532 /nfs/dbraw/zinc/01/45/32/748014532.db2.gz FLISGEJCJFOFKB-LJQANCHMSA-N 1 2 358.463 2.517 20 30 FFEDLO CCS(=O)(=O)c1ccc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1 ZINC000844369959 748014541 /nfs/dbraw/zinc/01/45/41/748014541.db2.gz FLISGEJCJFOFKB-LJQANCHMSA-N 1 2 358.463 2.517 20 30 FFEDLO CCOC(C[N@H+](CC)CC(=O)Nc1sc(C)c(C)c1C#N)OCC ZINC000846975373 748588849 /nfs/dbraw/zinc/58/88/49/748588849.db2.gz QEUOHFRJUUQVDJ-UHFFFAOYSA-N 1 2 353.488 2.896 20 30 FFEDLO CCOC(C[N@@H+](CC)CC(=O)Nc1sc(C)c(C)c1C#N)OCC ZINC000846975373 748588853 /nfs/dbraw/zinc/58/88/53/748588853.db2.gz QEUOHFRJUUQVDJ-UHFFFAOYSA-N 1 2 353.488 2.896 20 30 FFEDLO C=CCOCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000852672002 749919243 /nfs/dbraw/zinc/91/92/43/749919243.db2.gz IOUHVEIDDZCYNP-HZPDHXFCSA-N 1 2 356.388 2.726 20 30 FFEDLO C=CCOCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000852672002 749919250 /nfs/dbraw/zinc/91/92/50/749919250.db2.gz IOUHVEIDDZCYNP-HZPDHXFCSA-N 1 2 356.388 2.726 20 30 FFEDLO C=CC[N@H+](CN1C(=O)C[C@@](C)(c2ccc(Cl)cc2)C1=O)[C@@H](C)COC ZINC000853533689 750085557 /nfs/dbraw/zinc/08/55/57/750085557.db2.gz AHLZWGFLXHSJQO-LIRRHRJNSA-N 1 2 364.873 2.837 20 30 FFEDLO C=CC[N@@H+](CN1C(=O)C[C@@](C)(c2ccc(Cl)cc2)C1=O)[C@@H](C)COC ZINC000853533689 750085566 /nfs/dbraw/zinc/08/55/66/750085566.db2.gz AHLZWGFLXHSJQO-LIRRHRJNSA-N 1 2 364.873 2.837 20 30 FFEDLO C=CC[N@H+](CN1Cc2c(cccc2Br)C1=O)[C@@H](C)COC ZINC000853535170 750086212 /nfs/dbraw/zinc/08/62/12/750086212.db2.gz QEAPHXGNPQFPRW-LBPRGKRZSA-N 1 2 353.260 2.885 20 30 FFEDLO C=CC[N@@H+](CN1Cc2c(cccc2Br)C1=O)[C@@H](C)COC ZINC000853535170 750086217 /nfs/dbraw/zinc/08/62/17/750086217.db2.gz QEAPHXGNPQFPRW-LBPRGKRZSA-N 1 2 353.260 2.885 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Oc3ccccc3F)[C@@H]2C1 ZINC001075826327 971107299 /nfs/dbraw/zinc/10/72/99/971107299.db2.gz XTCIAPHRZUUNRN-OFQRWUPVSA-N 1 2 352.837 2.878 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Oc3ccccc3F)[C@@H]2C1 ZINC001075826327 971107302 /nfs/dbraw/zinc/10/73/02/971107302.db2.gz XTCIAPHRZUUNRN-OFQRWUPVSA-N 1 2 352.837 2.878 20 30 FFEDLO N#Cc1cc(C(=O)N2C[C@@H]3C[N@H+](C/C(Cl)=C/Cl)CC[C@@H]3C2)c[nH]1 ZINC001087940273 971232732 /nfs/dbraw/zinc/23/27/32/971232732.db2.gz CLOOYXJZNZTPIF-XMOXKZFWSA-N 1 2 353.253 2.599 20 30 FFEDLO N#Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](C/C(Cl)=C/Cl)CC[C@@H]3C2)c[nH]1 ZINC001087940273 971232736 /nfs/dbraw/zinc/23/27/36/971232736.db2.gz CLOOYXJZNZTPIF-XMOXKZFWSA-N 1 2 353.253 2.599 20 30 FFEDLO Cc1ccc(C#N)c(NC[C@@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001105001415 971329330 /nfs/dbraw/zinc/32/93/30/971329330.db2.gz ICAGOSKAMQTJLF-BRWVUGGUSA-N 1 2 366.469 2.731 20 30 FFEDLO Cc1ccc(C#N)c(NC[C@@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC001105001415 971329333 /nfs/dbraw/zinc/32/93/33/971329333.db2.gz ICAGOSKAMQTJLF-BRWVUGGUSA-N 1 2 366.469 2.731 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(F)c2F)c1 ZINC001095283872 1013090492 /nfs/dbraw/zinc/09/04/92/1013090492.db2.gz XHXIAHIEMHLNDT-KMFMINBZSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(F)c2F)c1 ZINC001095283872 1013090496 /nfs/dbraw/zinc/09/04/96/1013090496.db2.gz XHXIAHIEMHLNDT-KMFMINBZSA-N 1 2 356.376 2.700 20 30 FFEDLO C=C(C)[C@@H]1CC=C(C[NH+]2CC3(C2)CN(CC(F)(F)F)C(=O)CO3)CC1 ZINC001275856982 1013103877 /nfs/dbraw/zinc/10/38/77/1013103877.db2.gz PIIAJFVSIRRUQG-OAHLLOKOSA-N 1 2 358.404 2.765 20 30 FFEDLO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C4CCCCC4)[nH]n3)C[C@@H]2C1 ZINC001087996333 971756289 /nfs/dbraw/zinc/75/62/89/971756289.db2.gz JXXMFYKBQGENPL-MSOLQXFVSA-N 1 2 354.498 2.875 20 30 FFEDLO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C4CCCCC4)[nH]n3)C[C@@H]2C1 ZINC001087996333 971756294 /nfs/dbraw/zinc/75/62/94/971756294.db2.gz JXXMFYKBQGENPL-MSOLQXFVSA-N 1 2 354.498 2.875 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3cn(C(C)C)nn3)CC[C@@H]2C1 ZINC001088064409 972066061 /nfs/dbraw/zinc/06/60/61/972066061.db2.gz CLHBTWWKLAUARE-SJORKVTESA-N 1 2 359.518 2.742 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C(C)C)nn3)CC[C@@H]2C1 ZINC001088064409 972066070 /nfs/dbraw/zinc/06/60/70/972066070.db2.gz CLHBTWWKLAUARE-SJORKVTESA-N 1 2 359.518 2.742 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@H]21 ZINC000974727150 972147765 /nfs/dbraw/zinc/14/77/65/972147765.db2.gz JAJONLXJAWZSRN-IAGOWNOFSA-N 1 2 355.482 2.892 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccccc1-c1nccs1)C2 ZINC001275887937 1013144361 /nfs/dbraw/zinc/14/43/61/1013144361.db2.gz FXPBTYHHQJXWJV-UHFFFAOYSA-N 1 2 369.490 2.799 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccc3cc(C)ccc3n1)C2 ZINC001275902979 1013169183 /nfs/dbraw/zinc/16/91/83/1013169183.db2.gz NOOWZRRTLDOLNJ-UHFFFAOYSA-N 1 2 351.450 2.533 20 30 FFEDLO C=CCOc1ccc(/C=C/C(=O)O[C@H](C)C[NH+]2CCOCC2)cc1OC ZINC000784919666 959033427 /nfs/dbraw/zinc/03/34/27/959033427.db2.gz VMWJDSXTJVEQNV-IQIBNGDESA-N 1 2 361.438 2.537 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008842195 972428851 /nfs/dbraw/zinc/42/88/51/972428851.db2.gz WUOHGCXKFJWNEW-HBFSDRIKSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008842195 972428859 /nfs/dbraw/zinc/42/88/59/972428859.db2.gz WUOHGCXKFJWNEW-HBFSDRIKSA-N 1 2 371.456 2.759 20 30 FFEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083198443 960483932 /nfs/dbraw/zinc/48/39/32/960483932.db2.gz VJXZSGPLDZLHNX-YUMYIRISSA-N 1 2 366.505 2.632 20 30 FFEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083198443 960483942 /nfs/dbraw/zinc/48/39/42/960483942.db2.gz VJXZSGPLDZLHNX-YUMYIRISSA-N 1 2 366.505 2.632 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cc(F)cc(F)c1)C2 ZINC001110172572 1013284056 /nfs/dbraw/zinc/28/40/56/1013284056.db2.gz CGBQKXHZUPFROI-KBMXLJTQSA-N 1 2 356.800 2.818 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cc(F)cc(F)c1)C2 ZINC001110172572 1013284066 /nfs/dbraw/zinc/28/40/66/1013284066.db2.gz CGBQKXHZUPFROI-KBMXLJTQSA-N 1 2 356.800 2.818 20 30 FFEDLO C=CCCC(=O)NC1(CCO)C[NH+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001276037240 1013299856 /nfs/dbraw/zinc/29/98/56/1013299856.db2.gz FZOPVGNWBFVBBZ-WMZOPIPTSA-N 1 2 364.436 2.555 20 30 FFEDLO COc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)sn1 ZINC001095434028 1013347601 /nfs/dbraw/zinc/34/76/01/1013347601.db2.gz RVVUKJZCASTBTP-PMPSAXMXSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(C#N)c2)sn1 ZINC001095434028 1013347611 /nfs/dbraw/zinc/34/76/11/1013347611.db2.gz RVVUKJZCASTBTP-PMPSAXMXSA-N 1 2 368.462 2.559 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cccc(Cl)c1F)C2 ZINC001276065474 1013390058 /nfs/dbraw/zinc/39/00/58/1013390058.db2.gz MBLNIOGZHYCNQU-GOSISDBHSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(Cl)c1F)C2 ZINC001276065474 1013390067 /nfs/dbraw/zinc/39/00/67/1013390067.db2.gz MBLNIOGZHYCNQU-GOSISDBHSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccccc2o1 ZINC001110183534 1013420159 /nfs/dbraw/zinc/42/01/59/1013420159.db2.gz XQTKLYNNROAXQE-JHNDHUHGSA-N 1 2 355.438 2.640 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccccc2o1 ZINC001110183534 1013420167 /nfs/dbraw/zinc/42/01/67/1013420167.db2.gz XQTKLYNNROAXQE-JHNDHUHGSA-N 1 2 355.438 2.640 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110183361 1013420857 /nfs/dbraw/zinc/42/08/57/1013420857.db2.gz SHDWWESYESNLDN-OLQIXAPSSA-N 1 2 357.429 2.510 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110183361 1013420866 /nfs/dbraw/zinc/42/08/66/1013420866.db2.gz SHDWWESYESNLDN-OLQIXAPSSA-N 1 2 357.429 2.510 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC001087466409 964670056 /nfs/dbraw/zinc/67/00/56/964670056.db2.gz QWUZHEWATCVBIE-RTBURBONSA-N 1 2 370.424 2.786 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC001087466409 964670061 /nfs/dbraw/zinc/67/00/61/964670061.db2.gz QWUZHEWATCVBIE-RTBURBONSA-N 1 2 370.424 2.786 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(C)on1 ZINC000960913822 1013519481 /nfs/dbraw/zinc/51/94/81/1013519481.db2.gz RQAFDEFSCOLGEZ-QYZOEREBSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(C)on1 ZINC000960913822 1013519493 /nfs/dbraw/zinc/51/94/93/1013519493.db2.gz RQAFDEFSCOLGEZ-QYZOEREBSA-N 1 2 361.486 2.777 20 30 FFEDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCC2(CCOCC2)CC1 ZINC000328892910 965024799 /nfs/dbraw/zinc/02/47/99/965024799.db2.gz UFDHTOJNBYWXBV-UHFFFAOYSA-N 1 2 358.486 2.857 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccc(OC)o2)C1 ZINC001087468577 965248503 /nfs/dbraw/zinc/24/85/03/965248503.db2.gz FWHPFOBPOZRGNZ-IAGOWNOFSA-N 1 2 356.397 2.648 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccc(OC)o2)C1 ZINC001087468577 965248514 /nfs/dbraw/zinc/24/85/14/965248514.db2.gz FWHPFOBPOZRGNZ-IAGOWNOFSA-N 1 2 356.397 2.648 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2coc(C)n2)C1 ZINC001087470556 965353789 /nfs/dbraw/zinc/35/37/89/965353789.db2.gz KJPJZCIXWCZKHM-OALUTQOASA-N 1 2 367.449 2.603 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2coc(C)n2)C1 ZINC001087470556 965353805 /nfs/dbraw/zinc/35/38/05/965353805.db2.gz KJPJZCIXWCZKHM-OALUTQOASA-N 1 2 367.449 2.603 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccn(CC)n2)C1 ZINC001112146585 965354911 /nfs/dbraw/zinc/35/49/11/965354911.db2.gz CPOVDOUIGCWUAN-HZPDHXFCSA-N 1 2 370.419 2.576 20 30 FFEDLO C[NH+](C)[C@H](C(=O)Nc1ncc2c(c1C#N)COCC2)c1ccc(Cl)cc1 ZINC000891899126 965364407 /nfs/dbraw/zinc/36/44/07/965364407.db2.gz KSFSWLPYIRKINF-KRWDZBQOSA-N 1 2 370.840 2.921 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000329017586 965766201 /nfs/dbraw/zinc/76/62/01/965766201.db2.gz GTKWAZQKKXHOCI-QHHYFVSCSA-N 1 2 373.501 2.697 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@H](CCC)C(=O)N2CCc3sccc3C2)nn1 ZINC000657344231 966237468 /nfs/dbraw/zinc/23/74/68/966237468.db2.gz ZLUYAULYRYKEAY-QGZVFWFLSA-N 1 2 373.526 2.759 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(-c3ccco3)on2)C1 ZINC000972372762 966869294 /nfs/dbraw/zinc/86/92/94/966869294.db2.gz HWMNQZGRZSRQOX-BBWFWOEESA-N 1 2 371.437 2.558 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(-c3ccco3)on2)C1 ZINC000972372762 966869299 /nfs/dbraw/zinc/86/92/99/966869299.db2.gz HWMNQZGRZSRQOX-BBWFWOEESA-N 1 2 371.437 2.558 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cnn(C)c2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087498240 967085706 /nfs/dbraw/zinc/08/57/06/967085706.db2.gz GNQYKTSEPULKNA-RBUKOAKNSA-N 1 2 370.884 2.708 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cnn(C)c2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087498240 967085717 /nfs/dbraw/zinc/08/57/17/967085717.db2.gz GNQYKTSEPULKNA-RBUKOAKNSA-N 1 2 370.884 2.708 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)COc2cc(C)ccc2C)c1 ZINC000052130746 967281422 /nfs/dbraw/zinc/28/14/22/967281422.db2.gz RLMNJIYETALSNO-FQEVSTJZSA-N 1 2 366.461 2.595 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)COc2cc(C)ccc2C)c1 ZINC000052130746 967281435 /nfs/dbraw/zinc/28/14/35/967281435.db2.gz RLMNJIYETALSNO-FQEVSTJZSA-N 1 2 366.461 2.595 20 30 FFEDLO Cc1ccc(NC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)c(N(C)C)[nH+]1 ZINC000157510340 967670831 /nfs/dbraw/zinc/67/08/31/967670831.db2.gz RTSUMAUMTJOZSM-INIZCTEOSA-N 1 2 365.437 2.556 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087534517 967848549 /nfs/dbraw/zinc/84/85/49/967848549.db2.gz ADMYFZQITLBGDF-PKOBYXMFSA-N 1 2 365.412 2.680 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087534517 967848556 /nfs/dbraw/zinc/84/85/56/967848556.db2.gz ADMYFZQITLBGDF-PKOBYXMFSA-N 1 2 365.412 2.680 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001075807816 967869370 /nfs/dbraw/zinc/86/93/70/967869370.db2.gz XOHJBRCIQDRLSX-WDWDGABDSA-N 1 2 359.297 2.819 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001075807816 967869380 /nfs/dbraw/zinc/86/93/80/967869380.db2.gz XOHJBRCIQDRLSX-WDWDGABDSA-N 1 2 359.297 2.819 20 30 FFEDLO O=C(N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)[C@]12CCC[C@H]1OCC2 ZINC001029389370 968059802 /nfs/dbraw/zinc/05/98/02/968059802.db2.gz IYRHKSFEIOQSFK-SRUXOGRHSA-N 1 2 364.489 2.673 20 30 FFEDLO O=C(N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)[C@]12CCC[C@H]1OCC2 ZINC001029389370 968059811 /nfs/dbraw/zinc/05/98/11/968059811.db2.gz IYRHKSFEIOQSFK-SRUXOGRHSA-N 1 2 364.489 2.673 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C2=CCOCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087551631 968079800 /nfs/dbraw/zinc/07/98/00/968079800.db2.gz MKMRQOJHXVHOTE-RBUKOAKNSA-N 1 2 357.429 2.513 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C2=CCOCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087551631 968079812 /nfs/dbraw/zinc/07/98/12/968079812.db2.gz MKMRQOJHXVHOTE-RBUKOAKNSA-N 1 2 357.429 2.513 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ncccc2O)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001087552210 968085236 /nfs/dbraw/zinc/08/52/36/968085236.db2.gz SMJIELNGJSUFCD-LSDHHAIUSA-N 1 2 356.451 2.503 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ncccc2O)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001087552210 968085247 /nfs/dbraw/zinc/08/52/47/968085247.db2.gz SMJIELNGJSUFCD-LSDHHAIUSA-N 1 2 356.451 2.503 20 30 FFEDLO COc1ccc(C)cc1CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000060197617 968163585 /nfs/dbraw/zinc/16/35/85/968163585.db2.gz YRKXHVMFLTXFAX-UHFFFAOYSA-N 1 2 369.465 2.673 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(F)cc1 ZINC001029402680 968183661 /nfs/dbraw/zinc/18/36/61/968183661.db2.gz VIPXTANLQWNFFC-MHTWAQMVSA-N 1 2 370.468 2.668 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001029402680 968183671 /nfs/dbraw/zinc/18/36/71/968183671.db2.gz VIPXTANLQWNFFC-MHTWAQMVSA-N 1 2 370.468 2.668 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccns2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001087590737 968274245 /nfs/dbraw/zinc/27/42/45/968274245.db2.gz UZHNNEMTDBGOGN-DLBZAZTESA-N 1 2 357.454 2.917 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccns2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001087590737 968274251 /nfs/dbraw/zinc/27/42/51/968274251.db2.gz UZHNNEMTDBGOGN-DLBZAZTESA-N 1 2 357.454 2.917 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cncn2C)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087643590 968459850 /nfs/dbraw/zinc/45/98/50/968459850.db2.gz BPAODYRKRXQSNG-ZWKOTPCHSA-N 1 2 370.884 2.708 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cncn2C)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087643590 968459853 /nfs/dbraw/zinc/45/98/53/968459853.db2.gz BPAODYRKRXQSNG-ZWKOTPCHSA-N 1 2 370.884 2.708 20 30 FFEDLO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000255641412 968531481 /nfs/dbraw/zinc/53/14/81/968531481.db2.gz PJTDGSBPIONKMD-IAGOWNOFSA-N 1 2 372.469 2.532 20 30 FFEDLO CCOC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000255641412 968531490 /nfs/dbraw/zinc/53/14/90/968531490.db2.gz PJTDGSBPIONKMD-IAGOWNOFSA-N 1 2 372.469 2.532 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nccn3CC)[C@@H]2CC)cc1 ZINC001087681778 968589265 /nfs/dbraw/zinc/58/92/65/968589265.db2.gz OHDUKMDPLWBDHP-RBUKOAKNSA-N 1 2 350.466 2.667 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nccn3CC)[C@@H]2CC)cc1 ZINC001087681778 968589268 /nfs/dbraw/zinc/58/92/68/968589268.db2.gz OHDUKMDPLWBDHP-RBUKOAKNSA-N 1 2 350.466 2.667 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)c2C)[C@H]1CC ZINC001087716364 968709402 /nfs/dbraw/zinc/70/94/02/968709402.db2.gz HHRVMKMOMDRUOE-LSDHHAIUSA-N 1 2 354.292 2.825 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)c2C)[C@H]1CC ZINC001087716364 968709410 /nfs/dbraw/zinc/70/94/10/968709410.db2.gz HHRVMKMOMDRUOE-LSDHHAIUSA-N 1 2 354.292 2.825 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001024653258 969229160 /nfs/dbraw/zinc/22/91/60/969229160.db2.gz DEJJQZQBLDIACB-BJZITVGISA-N 1 2 359.445 2.593 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001024653258 969229168 /nfs/dbraw/zinc/22/91/68/969229168.db2.gz DEJJQZQBLDIACB-BJZITVGISA-N 1 2 359.445 2.593 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2CC)c1 ZINC001024666605 969241426 /nfs/dbraw/zinc/24/14/26/969241426.db2.gz RDVUSKJASHEDQM-MISYRCLQSA-N 1 2 367.493 2.623 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2CC)c1 ZINC001024666605 969241434 /nfs/dbraw/zinc/24/14/34/969241434.db2.gz RDVUSKJASHEDQM-MISYRCLQSA-N 1 2 367.493 2.623 20 30 FFEDLO C=CCCN(OCc1ccccc1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000782957970 970071131 /nfs/dbraw/zinc/07/11/31/970071131.db2.gz LSNAWEHVPWCAOO-UHFFFAOYSA-N 1 2 361.486 2.817 20 30 FFEDLO C=CCCN(OCc1ccccc1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000782957970 970071138 /nfs/dbraw/zinc/07/11/38/970071138.db2.gz LSNAWEHVPWCAOO-UHFFFAOYSA-N 1 2 361.486 2.817 20 30 FFEDLO C#Cc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1 ZINC000895561619 970743334 /nfs/dbraw/zinc/74/33/34/970743334.db2.gz UXRPXTJEFCFJQF-UHFFFAOYSA-N 1 2 361.445 2.501 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ccco3)[C@@H]2C1 ZINC001075542978 970754571 /nfs/dbraw/zinc/75/45/71/970754571.db2.gz LJSQCIAOMILWFW-OXJNMPFZSA-N 1 2 367.424 2.956 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)CCc3ccco3)[C@@H]2C1 ZINC001075542978 970754577 /nfs/dbraw/zinc/75/45/77/970754577.db2.gz LJSQCIAOMILWFW-OXJNMPFZSA-N 1 2 367.424 2.956 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@H]2CC)CC1 ZINC000985054470 972607985 /nfs/dbraw/zinc/60/79/85/972607985.db2.gz HXCUOTCLJLFPEA-VXIBKDFQSA-N 1 2 370.497 2.755 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@H]2CC)CC1 ZINC000985054470 972607992 /nfs/dbraw/zinc/60/79/92/972607992.db2.gz HXCUOTCLJLFPEA-VXIBKDFQSA-N 1 2 370.497 2.755 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(CC)o4)CC[C@@H]3C2)CC1 ZINC001088093154 972714201 /nfs/dbraw/zinc/71/42/01/972714201.db2.gz LOULSIWEVYBGRQ-SJORKVTESA-N 1 2 358.486 2.659 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(CC)o4)CC[C@@H]3C2)CC1 ZINC001088093154 972714211 /nfs/dbraw/zinc/71/42/11/972714211.db2.gz LOULSIWEVYBGRQ-SJORKVTESA-N 1 2 358.486 2.659 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@H]2C1 ZINC000975851921 973497779 /nfs/dbraw/zinc/49/77/79/973497779.db2.gz WMUUNJUSRIPTBC-KSSFIOAISA-N 1 2 366.465 2.838 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001087421031 974526045 /nfs/dbraw/zinc/52/60/45/974526045.db2.gz JSNMCLYKADYHMB-QZTJIDSGSA-N 1 2 358.873 2.761 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001087421031 974526049 /nfs/dbraw/zinc/52/60/49/974526049.db2.gz JSNMCLYKADYHMB-QZTJIDSGSA-N 1 2 358.873 2.761 20 30 FFEDLO COCc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)o1 ZINC001088726473 975634393 /nfs/dbraw/zinc/63/43/93/975634393.db2.gz YLTZBQILVGALJO-ACJLOTCBSA-N 1 2 371.412 2.830 20 30 FFEDLO COCc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)o1 ZINC001088726473 975634400 /nfs/dbraw/zinc/63/44/00/975634400.db2.gz YLTZBQILVGALJO-ACJLOTCBSA-N 1 2 371.412 2.830 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(N)=O)CC[C@@H]2c2ccccc2)CC1 ZINC001087435671 976980803 /nfs/dbraw/zinc/98/08/03/976980803.db2.gz AETVBQLSJQSHRP-NSISKUIASA-N 1 2 369.509 2.581 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(N)=O)CC[C@@H]2c2ccccc2)CC1 ZINC001087435671 976980814 /nfs/dbraw/zinc/98/08/14/976980814.db2.gz AETVBQLSJQSHRP-NSISKUIASA-N 1 2 369.509 2.581 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(C)cc3)[C@@H]2C1 ZINC001076006086 977098583 /nfs/dbraw/zinc/09/85/83/977098583.db2.gz TWROFFPFDQCAJU-DLBZAZTESA-N 1 2 363.299 2.979 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(C)cc3)[C@@H]2C1 ZINC001076006086 977098591 /nfs/dbraw/zinc/09/85/91/977098591.db2.gz TWROFFPFDQCAJU-DLBZAZTESA-N 1 2 363.299 2.979 20 30 FFEDLO CCN(CC)C(=O)COc1ccc(C(=O)/C=C/c2ccc(N)[nH+]c2)cc1 ZINC000899342240 977099893 /nfs/dbraw/zinc/09/98/93/977099893.db2.gz SMSVEEZMWGISHF-VZUCSPMQSA-N 1 2 353.422 2.807 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC([C@@H]3CCCCCN3C(C)=O)CC2)nn1 ZINC000653555069 1014375193 /nfs/dbraw/zinc/37/51/93/1014375193.db2.gz IHOLCSVHENUSHQ-FQEVSTJZSA-N 1 2 359.518 2.857 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001087453467 977760936 /nfs/dbraw/zinc/76/09/36/977760936.db2.gz VNNQNKLKKYVQLP-IAGOWNOFSA-N 1 2 357.454 2.812 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001087453467 977760941 /nfs/dbraw/zinc/76/09/41/977760941.db2.gz VNNQNKLKKYVQLP-IAGOWNOFSA-N 1 2 357.454 2.812 20 30 FFEDLO Nc1nc(Cl)c(C=[NH+]NCCCOc2ccccc2)c(N2CCCC2)n1 ZINC000729148592 978190901 /nfs/dbraw/zinc/19/09/01/978190901.db2.gz CIVXETLQTSCYSV-UHFFFAOYSA-N 1 2 374.876 2.705 20 30 FFEDLO C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ncccc2O)C1 ZINC001087464508 978265837 /nfs/dbraw/zinc/26/58/37/978265837.db2.gz MPXOBNLNQFJXKO-IAGOWNOFSA-N 1 2 355.413 2.700 20 30 FFEDLO C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ncccc2O)C1 ZINC001087464508 978265848 /nfs/dbraw/zinc/26/58/48/978265848.db2.gz MPXOBNLNQFJXKO-IAGOWNOFSA-N 1 2 355.413 2.700 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001076257397 979283268 /nfs/dbraw/zinc/28/32/68/979283268.db2.gz UFUSKIMGTNPQST-VUBSUSDNSA-N 1 2 372.896 2.649 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001076257397 979283274 /nfs/dbraw/zinc/28/32/74/979283274.db2.gz UFUSKIMGTNPQST-VUBSUSDNSA-N 1 2 372.896 2.649 20 30 FFEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cccc5[nH]cnc54)[C@@H]3C2)c1 ZINC001076387689 979446038 /nfs/dbraw/zinc/44/60/38/979446038.db2.gz SUDXKKCEIUNKAQ-FXAWDEMLSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cccc5[nH]cnc54)[C@@H]3C2)c1 ZINC001076387689 979446047 /nfs/dbraw/zinc/44/60/47/979446047.db2.gz SUDXKKCEIUNKAQ-FXAWDEMLSA-N 1 2 371.444 2.781 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)[C@H]1CCCO1 ZINC000877413001 1014578761 /nfs/dbraw/zinc/57/87/61/1014578761.db2.gz CGRWLXSXOPFBIB-HUUCEWRRSA-N 1 2 363.458 2.705 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(F)cc3)[C@@H]2C1 ZINC001076521405 979608035 /nfs/dbraw/zinc/60/80/35/979608035.db2.gz SNTWQWKONWVPRM-GOEBONIOSA-N 1 2 367.262 2.810 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(F)cc3)[C@@H]2C1 ZINC001076521405 979608038 /nfs/dbraw/zinc/60/80/38/979608038.db2.gz SNTWQWKONWVPRM-GOEBONIOSA-N 1 2 367.262 2.810 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)[C@@H]2C)on1 ZINC001088463664 979721131 /nfs/dbraw/zinc/72/11/31/979721131.db2.gz IYISLNBGFZHTSE-PBHICJAKSA-N 1 2 357.841 2.881 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)[C@@H]2C)on1 ZINC001088463664 979721133 /nfs/dbraw/zinc/72/11/33/979721133.db2.gz IYISLNBGFZHTSE-PBHICJAKSA-N 1 2 357.841 2.881 20 30 FFEDLO Cc1ocnc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1C ZINC001088485784 979868863 /nfs/dbraw/zinc/86/88/63/979868863.db2.gz CJLGTRMEPHJCKK-DYVFJYSZSA-N 1 2 357.841 2.881 20 30 FFEDLO Cc1ocnc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1C ZINC001088485784 979868872 /nfs/dbraw/zinc/86/88/72/979868872.db2.gz CJLGTRMEPHJCKK-DYVFJYSZSA-N 1 2 357.841 2.881 20 30 FFEDLO Cc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)s1 ZINC001088488547 979875005 /nfs/dbraw/zinc/87/50/05/979875005.db2.gz IXYNSGONQJUYPH-BZNIZROVSA-N 1 2 358.442 2.855 20 30 FFEDLO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)s1 ZINC001088488547 979875010 /nfs/dbraw/zinc/87/50/10/979875010.db2.gz IXYNSGONQJUYPH-BZNIZROVSA-N 1 2 358.442 2.855 20 30 FFEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000668182881 979879826 /nfs/dbraw/zinc/87/98/26/979879826.db2.gz QPIMYOXGFWRSPS-KXBFYZLASA-N 1 2 361.461 2.502 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCOC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088491619 980046028 /nfs/dbraw/zinc/04/60/28/980046028.db2.gz KNRRDXHZJPLCBN-AYBZRNKSSA-N 1 2 360.885 2.697 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCOC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088491619 980046030 /nfs/dbraw/zinc/04/60/30/980046030.db2.gz KNRRDXHZJPLCBN-AYBZRNKSSA-N 1 2 360.885 2.697 20 30 FFEDLO Cc1ccncc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088503841 980182045 /nfs/dbraw/zinc/18/20/45/980182045.db2.gz DIQAMLDSNLZCKO-KUHUBIRLSA-N 1 2 352.413 2.794 20 30 FFEDLO Cc1ccncc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088503841 980182048 /nfs/dbraw/zinc/18/20/48/980182048.db2.gz DIQAMLDSNLZCKO-KUHUBIRLSA-N 1 2 352.413 2.794 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCO2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088526361 980437260 /nfs/dbraw/zinc/43/72/60/980437260.db2.gz JOLUQLPNRBTWCW-MNEFBYGVSA-N 1 2 360.885 2.840 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCO2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088526361 980437264 /nfs/dbraw/zinc/43/72/64/980437264.db2.gz JOLUQLPNRBTWCW-MNEFBYGVSA-N 1 2 360.885 2.840 20 30 FFEDLO N#Cc1cc(F)ccc1N1CC[NH+](Cc2cc3c(cc[nH]c3=O)o2)CC1 ZINC000877746551 1014707304 /nfs/dbraw/zinc/70/73/04/1014707304.db2.gz DYNBHTORQRXFTK-UHFFFAOYSA-N 1 2 352.369 2.866 20 30 FFEDLO C=CCn1cc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)nn1 ZINC000907817032 981302636 /nfs/dbraw/zinc/30/26/36/981302636.db2.gz ZILOREUFDKFIBD-AWEZNQCLSA-N 1 2 354.458 2.522 20 30 FFEDLO C=CCn1cc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)nn1 ZINC000907817032 981302640 /nfs/dbraw/zinc/30/26/40/981302640.db2.gz ZILOREUFDKFIBD-AWEZNQCLSA-N 1 2 354.458 2.522 20 30 FFEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001212009116 981453357 /nfs/dbraw/zinc/45/33/57/981453357.db2.gz LTOAGNMQWQACAW-NIKGAXFTSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001212009116 981453363 /nfs/dbraw/zinc/45/33/63/981453363.db2.gz LTOAGNMQWQACAW-NIKGAXFTSA-N 1 2 361.461 2.839 20 30 FFEDLO CO[C@@H]1C[N@H+](CCc2cc(Cl)cc(Cl)c2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041514 981468647 /nfs/dbraw/zinc/46/86/47/981468647.db2.gz ROIXZMFIUFKNCB-HFBAOOFYSA-N 1 2 370.280 2.511 20 30 FFEDLO CO[C@@H]1C[N@@H+](CCc2cc(Cl)cc(Cl)c2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041514 981468651 /nfs/dbraw/zinc/46/86/51/981468651.db2.gz ROIXZMFIUFKNCB-HFBAOOFYSA-N 1 2 370.280 2.511 20 30 FFEDLO C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000908690259 981498299 /nfs/dbraw/zinc/49/82/99/981498299.db2.gz KLJFZRLLBSBCQL-NVXWUHKLSA-N 1 2 368.485 2.832 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000909255364 981665551 /nfs/dbraw/zinc/66/55/51/981665551.db2.gz JVERSJGVKPWOSQ-MRXNPFEDSA-N 1 2 368.485 2.834 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(=O)Nc3ccccc3C)[C@@H]2C)C1 ZINC001088840054 981871037 /nfs/dbraw/zinc/87/10/37/981871037.db2.gz SLAUMFOALOQEHB-AEFFLSMTSA-N 1 2 355.482 2.869 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3C)[C@@H]2C)C1 ZINC001088840054 981871049 /nfs/dbraw/zinc/87/10/49/981871049.db2.gz SLAUMFOALOQEHB-AEFFLSMTSA-N 1 2 355.482 2.869 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)ns2)[C@@H]1C ZINC001088623687 982000564 /nfs/dbraw/zinc/00/05/64/982000564.db2.gz OIFURWVUCSHYMO-HIFRSBDPSA-N 1 2 360.483 2.532 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)ns2)[C@@H]1C ZINC001088623687 982000571 /nfs/dbraw/zinc/00/05/71/982000571.db2.gz OIFURWVUCSHYMO-HIFRSBDPSA-N 1 2 360.483 2.532 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000897754439 982495829 /nfs/dbraw/zinc/49/58/29/982495829.db2.gz TZCCIBKYAPTQJO-WMZOPIPTSA-N 1 2 354.454 2.602 20 30 FFEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000668959515 984027813 /nfs/dbraw/zinc/02/78/13/984027813.db2.gz MARGRVKYDFRHTG-WMZOPIPTSA-N 1 2 368.481 2.553 20 30 FFEDLO Cc1cc(C#N)ccc1CON=C(N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000186004018 984076661 /nfs/dbraw/zinc/07/66/61/984076661.db2.gz BHJHELIERRQESR-FQEVSTJZSA-N 1 2 364.449 2.557 20 30 FFEDLO Cc1cc(C#N)ccc1CON=C(N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000186004018 984076668 /nfs/dbraw/zinc/07/66/68/984076668.db2.gz BHJHELIERRQESR-FQEVSTJZSA-N 1 2 364.449 2.557 20 30 FFEDLO CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000912832003 984128136 /nfs/dbraw/zinc/12/81/36/984128136.db2.gz ANUJZKQHAGELLJ-UHFFFAOYSA-N 1 2 368.466 2.726 20 30 FFEDLO CC(C)Oc1cccc(CNC(=O)CO[NH+]=C(N)Cc2ccccc2)c1 ZINC000151212771 984215869 /nfs/dbraw/zinc/21/58/69/984215869.db2.gz ZPPFPIXYSJPFGN-UHFFFAOYSA-N 1 2 355.438 2.622 20 30 FFEDLO CCCOc1ccc(CNC(=O)CO[NH+]=C(N)Cc2ccccc2)cc1 ZINC000151213236 984215897 /nfs/dbraw/zinc/21/58/97/984215897.db2.gz SULFYEVHZZCGMW-UHFFFAOYSA-N 1 2 355.438 2.623 20 30 FFEDLO CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nccn1C(F)F)CC2 ZINC001107393628 984501389 /nfs/dbraw/zinc/50/13/89/984501389.db2.gz MERAGYDVSNCRJO-DNVCBOLYSA-N 1 2 364.440 2.798 20 30 FFEDLO CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nccn1C(F)F)CC2 ZINC001107393628 984501397 /nfs/dbraw/zinc/50/13/97/984501397.db2.gz MERAGYDVSNCRJO-DNVCBOLYSA-N 1 2 364.440 2.798 20 30 FFEDLO C=C(C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncnn1CCC)CC2 ZINC001107422323 984531473 /nfs/dbraw/zinc/53/14/73/984531473.db2.gz ADSXHKDTQHOTTJ-YLJYHZDGSA-N 1 2 359.518 2.905 20 30 FFEDLO C=C(C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncnn1CCC)CC2 ZINC001107422323 984531477 /nfs/dbraw/zinc/53/14/77/984531477.db2.gz ADSXHKDTQHOTTJ-YLJYHZDGSA-N 1 2 359.518 2.905 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC001030333793 984697895 /nfs/dbraw/zinc/69/78/95/984697895.db2.gz KCRLVRMIEGCKMT-HOJAQTOUSA-N 1 2 358.457 2.985 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ccc(F)cc3F)C[C@H]2O)CC1 ZINC001077625967 984726642 /nfs/dbraw/zinc/72/66/42/984726642.db2.gz JSGJEHFOUCAHFM-MJXNMMHHSA-N 1 2 364.436 2.934 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ccc(F)cc3F)C[C@H]2O)CC1 ZINC001077625967 984726645 /nfs/dbraw/zinc/72/66/45/984726645.db2.gz JSGJEHFOUCAHFM-MJXNMMHHSA-N 1 2 364.436 2.934 20 30 FFEDLO C[C@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)c1nc(Cc2ccccc2)no1 ZINC000158147726 984791445 /nfs/dbraw/zinc/79/14/45/984791445.db2.gz YKGQIPOZBZOOHL-ZDUSSCGKSA-N 1 2 364.405 2.993 20 30 FFEDLO CCc1ncoc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001088846397 984974994 /nfs/dbraw/zinc/97/49/94/984974994.db2.gz LNULMHLCNPOMMG-PXAZEXFGSA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1ncoc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001088846397 984974996 /nfs/dbraw/zinc/97/49/96/984974996.db2.gz LNULMHLCNPOMMG-PXAZEXFGSA-N 1 2 356.401 2.641 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCc3c2c(F)ccc3F)C[C@H]1OC ZINC001212187513 985140525 /nfs/dbraw/zinc/14/05/25/985140525.db2.gz WXNGOOUXBKDHEH-FGTMMUONSA-N 1 2 362.420 2.571 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3c2c(F)ccc3F)C[C@H]1OC ZINC001212187513 985140533 /nfs/dbraw/zinc/14/05/33/985140533.db2.gz WXNGOOUXBKDHEH-FGTMMUONSA-N 1 2 362.420 2.571 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cccc3nc[nH]c32)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001088935862 985506426 /nfs/dbraw/zinc/50/64/26/985506426.db2.gz CUDBXHSJCIQPFA-KDOFPFPSSA-N 1 2 359.433 2.827 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cccc3nc[nH]c32)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088935862 985506431 /nfs/dbraw/zinc/50/64/31/985506431.db2.gz CUDBXHSJCIQPFA-KDOFPFPSSA-N 1 2 359.433 2.827 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnoc2C2CC2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088953502 985594746 /nfs/dbraw/zinc/59/47/46/985594746.db2.gz XLNYMCAGDMJWFD-XIKOKIGWSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnoc2C2CC2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088953502 985594756 /nfs/dbraw/zinc/59/47/56/985594756.db2.gz XLNYMCAGDMJWFD-XIKOKIGWSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2n[nH]c3ccccc32)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001089017861 985944534 /nfs/dbraw/zinc/94/45/34/985944534.db2.gz AONOAOCEHHFIRP-KDOFPFPSSA-N 1 2 359.433 2.827 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2n[nH]c3ccccc32)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001089017861 985944543 /nfs/dbraw/zinc/94/45/43/985944543.db2.gz AONOAOCEHHFIRP-KDOFPFPSSA-N 1 2 359.433 2.827 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)n2nc(C)cc2C)[C@H]1C ZINC001089071103 986187812 /nfs/dbraw/zinc/18/78/12/986187812.db2.gz OIMQPGQECVNDMY-KFWWJZLASA-N 1 2 369.307 2.549 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)n2nc(C)cc2C)[C@H]1C ZINC001089071103 986187818 /nfs/dbraw/zinc/18/78/18/986187818.db2.gz OIMQPGQECVNDMY-KFWWJZLASA-N 1 2 369.307 2.549 20 30 FFEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000878888717 1015270560 /nfs/dbraw/zinc/27/05/60/1015270560.db2.gz ODRCKEUYEYQJHO-WIYYLYMNSA-N 1 2 355.482 2.915 20 30 FFEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000878888717 1015270569 /nfs/dbraw/zinc/27/05/69/1015270569.db2.gz ODRCKEUYEYQJHO-WIYYLYMNSA-N 1 2 355.482 2.915 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001061093981 987354597 /nfs/dbraw/zinc/35/45/97/987354597.db2.gz OAJNPIOFNKSDAE-GVDBMIGSSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001061093981 987354607 /nfs/dbraw/zinc/35/46/07/987354607.db2.gz OAJNPIOFNKSDAE-GVDBMIGSSA-N 1 2 370.497 2.567 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001003350591 987939570 /nfs/dbraw/zinc/93/95/70/987939570.db2.gz PADQPNQXSVQFDR-MOPGFXCFSA-N 1 2 359.445 2.593 20 30 FFEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CC[C@@H](C)O3)c2C1 ZINC001128498445 988682843 /nfs/dbraw/zinc/68/28/43/988682843.db2.gz CAYYBONYYGOHSJ-VQIMIIECSA-N 1 2 362.518 2.853 20 30 FFEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CC[C@@H](C)O3)c2C1 ZINC001128498445 988682847 /nfs/dbraw/zinc/68/28/47/988682847.db2.gz CAYYBONYYGOHSJ-VQIMIIECSA-N 1 2 362.518 2.853 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001033086402 988758863 /nfs/dbraw/zinc/75/88/63/988758863.db2.gz ICABKEMGTUVJFT-NUJGCVRESA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001033086402 988758865 /nfs/dbraw/zinc/75/88/65/988758865.db2.gz ICABKEMGTUVJFT-NUJGCVRESA-N 1 2 361.486 2.812 20 30 FFEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCO[C@H]1C1CC1 ZINC001008000178 1015451658 /nfs/dbraw/zinc/45/16/58/1015451658.db2.gz LPVCMLLGZDENQC-HBMCJLEFSA-N 1 2 370.468 2.573 20 30 FFEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCO[C@H]1C1CC1 ZINC001008000178 1015451664 /nfs/dbraw/zinc/45/16/64/1015451664.db2.gz LPVCMLLGZDENQC-HBMCJLEFSA-N 1 2 370.468 2.573 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001008011439 1015460941 /nfs/dbraw/zinc/46/09/41/1015460941.db2.gz XKTSQVMVYHRYIA-SCTDSRPQSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001008011439 1015460946 /nfs/dbraw/zinc/46/09/46/1015460946.db2.gz XKTSQVMVYHRYIA-SCTDSRPQSA-N 1 2 359.445 2.593 20 30 FFEDLO Cc1nc(NCCCC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)ccc1C#N ZINC001090168570 989837390 /nfs/dbraw/zinc/83/73/90/989837390.db2.gz FYODNKHUEMSZPT-KBRIMQKVSA-N 1 2 366.469 2.875 20 30 FFEDLO Cc1nc(NCCCC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccc1C#N ZINC001090168570 989837396 /nfs/dbraw/zinc/83/73/96/989837396.db2.gz FYODNKHUEMSZPT-KBRIMQKVSA-N 1 2 366.469 2.875 20 30 FFEDLO C[C@H](CCCCNc1ccc(C#N)cn1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001090168944 989838123 /nfs/dbraw/zinc/83/81/23/989838123.db2.gz LGMVSKTUYGMYAZ-FVQBIDKESA-N 1 2 352.442 2.567 20 30 FFEDLO C[C@H](CCCCNc1ccc(C#N)cn1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001090168944 989838132 /nfs/dbraw/zinc/83/81/32/989838132.db2.gz LGMVSKTUYGMYAZ-FVQBIDKESA-N 1 2 352.442 2.567 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC(C)(C)C1CC1 ZINC001212225447 990150665 /nfs/dbraw/zinc/15/06/65/990150665.db2.gz JRABQRVZTLLWPR-WOJBJXKFSA-N 1 2 354.494 2.680 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC(C)(C)C1CC1 ZINC001212225447 990150672 /nfs/dbraw/zinc/15/06/72/990150672.db2.gz JRABQRVZTLLWPR-WOJBJXKFSA-N 1 2 354.494 2.680 20 30 FFEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154679860 990366643 /nfs/dbraw/zinc/36/66/43/990366643.db2.gz NNUFWXXPKNXQHN-UHFFFAOYSA-N 1 2 365.393 2.798 20 30 FFEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154679860 990366651 /nfs/dbraw/zinc/36/66/51/990366651.db2.gz NNUFWXXPKNXQHN-UHFFFAOYSA-N 1 2 365.393 2.798 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001062042725 990668221 /nfs/dbraw/zinc/66/82/21/990668221.db2.gz HSKNZCVFPBPERY-HCXYKTFWSA-N 1 2 370.497 2.563 20 30 FFEDLO C#CCNC(=O)c1ccccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000921163592 990992602 /nfs/dbraw/zinc/99/26/02/990992602.db2.gz TXPQJBGPKAKAEU-UHFFFAOYSA-N 1 2 358.401 2.547 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC001006126571 991212413 /nfs/dbraw/zinc/21/24/13/991212413.db2.gz IDRLIDWSVZQVHL-HKUYNNGSSA-N 1 2 361.486 2.695 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000923564253 991257364 /nfs/dbraw/zinc/25/73/64/991257364.db2.gz PFYXXCAWWYVOFU-INIZCTEOSA-N 1 2 359.429 2.509 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000923564253 991257371 /nfs/dbraw/zinc/25/73/71/991257371.db2.gz PFYXXCAWWYVOFU-INIZCTEOSA-N 1 2 359.429 2.509 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000923579697 991281163 /nfs/dbraw/zinc/28/11/63/991281163.db2.gz STSMKJVTIYKEMC-SFHVURJKSA-N 1 2 363.417 2.558 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000923579697 991281166 /nfs/dbraw/zinc/28/11/66/991281166.db2.gz STSMKJVTIYKEMC-SFHVURJKSA-N 1 2 363.417 2.558 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001063050884 991321947 /nfs/dbraw/zinc/32/19/47/991321947.db2.gz ODIRTMYEYJWOQB-AOIWGVFYSA-N 1 2 370.497 2.681 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001212338790 991729123 /nfs/dbraw/zinc/72/91/23/991729123.db2.gz RTYNJUGWUTXKSX-QZTJIDSGSA-N 1 2 359.445 2.615 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001212338790 991729131 /nfs/dbraw/zinc/72/91/31/991729131.db2.gz RTYNJUGWUTXKSX-QZTJIDSGSA-N 1 2 359.445 2.615 20 30 FFEDLO NC(=NOCc1ccc(F)c(F)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181851746 991903055 /nfs/dbraw/zinc/90/30/55/991903055.db2.gz UHXOIPYIVZJNPJ-GOSISDBHSA-N 1 2 361.392 2.655 20 30 FFEDLO NC(=NOCc1ccc(F)c(F)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181851746 991903066 /nfs/dbraw/zinc/90/30/66/991903066.db2.gz UHXOIPYIVZJNPJ-GOSISDBHSA-N 1 2 361.392 2.655 20 30 FFEDLO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001485306856 991903536 /nfs/dbraw/zinc/90/35/36/991903536.db2.gz NCOKHMKZANIGTF-VOBQZIQPSA-N 1 2 366.440 2.833 20 30 FFEDLO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001485306856 991903542 /nfs/dbraw/zinc/90/35/42/991903542.db2.gz NCOKHMKZANIGTF-VOBQZIQPSA-N 1 2 366.440 2.833 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C1CC(F)(F)C1 ZINC001079549213 992198270 /nfs/dbraw/zinc/19/82/70/992198270.db2.gz KLBZGJOYOBWDTN-BDJLRTHQSA-N 1 2 351.372 2.679 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C1CC(F)(F)C1 ZINC001079549213 992198274 /nfs/dbraw/zinc/19/82/74/992198274.db2.gz KLBZGJOYOBWDTN-BDJLRTHQSA-N 1 2 351.372 2.679 20 30 FFEDLO C[C@@H]1[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCOC1(C)C ZINC000763626665 992505895 /nfs/dbraw/zinc/50/58/95/992505895.db2.gz DDAOVASTDQVPSL-ZFWWWQNUSA-N 1 2 350.422 2.723 20 30 FFEDLO C[C@@H]1[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCOC1(C)C ZINC000763626665 992505903 /nfs/dbraw/zinc/50/59/03/992505903.db2.gz DDAOVASTDQVPSL-ZFWWWQNUSA-N 1 2 350.422 2.723 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1cnc(C2CC2)o1 ZINC001079872374 992515275 /nfs/dbraw/zinc/51/52/75/992515275.db2.gz KWUHQXUGZBFCOC-SJKOYZFVSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1cnc(C2CC2)o1 ZINC001079872374 992515284 /nfs/dbraw/zinc/51/52/84/992515284.db2.gz KWUHQXUGZBFCOC-SJKOYZFVSA-N 1 2 368.412 2.813 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CC(=C)Br)C[C@H]1C ZINC001079850941 992534453 /nfs/dbraw/zinc/53/44/53/992534453.db2.gz VOIGMXKCBKCSQI-TZMCWYRMSA-N 1 2 352.276 2.633 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CC(=C)Br)C[C@H]1C ZINC001079850941 992534459 /nfs/dbraw/zinc/53/44/59/992534459.db2.gz VOIGMXKCBKCSQI-TZMCWYRMSA-N 1 2 352.276 2.633 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nnc(C)o2)C[C@H]1C ZINC001079978034 992639798 /nfs/dbraw/zinc/63/97/98/992639798.db2.gz UPKRCEUBNYZRSN-JKIFEVAISA-N 1 2 370.453 2.754 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nnc(C)o2)C[C@H]1C ZINC001079978034 992639803 /nfs/dbraw/zinc/63/98/03/992639803.db2.gz UPKRCEUBNYZRSN-JKIFEVAISA-N 1 2 370.453 2.754 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2COC)C1 ZINC001080034502 992667719 /nfs/dbraw/zinc/66/77/19/992667719.db2.gz XYCHRWXJDKFMCK-MLGOLLRUSA-N 1 2 367.287 2.792 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2COC)C1 ZINC001080034502 992667723 /nfs/dbraw/zinc/66/77/23/992667723.db2.gz XYCHRWXJDKFMCK-MLGOLLRUSA-N 1 2 367.287 2.792 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ncc(Cl)s1 ZINC001080123024 992758545 /nfs/dbraw/zinc/75/85/45/992758545.db2.gz FDIRXZKTNLVYMS-BXKDBHETSA-N 1 2 366.899 2.980 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ncc(Cl)s1 ZINC001080123024 992758548 /nfs/dbraw/zinc/75/85/48/992758548.db2.gz FDIRXZKTNLVYMS-BXKDBHETSA-N 1 2 366.899 2.980 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(F)c3F)C[C@H]2C)c1 ZINC001080408517 993036923 /nfs/dbraw/zinc/03/69/23/993036923.db2.gz JBMWREKFDAEFAI-FZKQIMNGSA-N 1 2 355.388 2.591 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(F)c3F)C[C@H]2C)c1 ZINC001080408517 993036928 /nfs/dbraw/zinc/03/69/28/993036928.db2.gz JBMWREKFDAEFAI-FZKQIMNGSA-N 1 2 355.388 2.591 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccn(C(CC)CC)n2)C[C@H]1C ZINC001080472474 993078574 /nfs/dbraw/zinc/07/85/74/993078574.db2.gz YAPAFBCDXQTUOE-XLNTUCKNSA-N 1 2 374.529 2.772 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(CC)CC)n2)C[C@H]1C ZINC001080472474 993078580 /nfs/dbraw/zinc/07/85/80/993078580.db2.gz YAPAFBCDXQTUOE-XLNTUCKNSA-N 1 2 374.529 2.772 20 30 FFEDLO CCCc1cc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)no1 ZINC001080702402 993292531 /nfs/dbraw/zinc/29/25/31/993292531.db2.gz MZDDSKIUOQLHDY-FOIQADDNSA-N 1 2 369.440 2.868 20 30 FFEDLO CCCc1cc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)no1 ZINC001080702402 993292541 /nfs/dbraw/zinc/29/25/41/993292541.db2.gz MZDDSKIUOQLHDY-FOIQADDNSA-N 1 2 369.440 2.868 20 30 FFEDLO COc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)cc1 ZINC001080832172 993406071 /nfs/dbraw/zinc/40/60/71/993406071.db2.gz WCLVRQNHQXSVQB-JLTOFOAXSA-N 1 2 367.424 2.956 20 30 FFEDLO COc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)cc1 ZINC001080832172 993406073 /nfs/dbraw/zinc/40/60/73/993406073.db2.gz WCLVRQNHQXSVQB-JLTOFOAXSA-N 1 2 367.424 2.956 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC001080882831 993454076 /nfs/dbraw/zinc/45/40/76/993454076.db2.gz VGROVWIUTDWNAT-AUUYWEPGSA-N 1 2 359.433 2.685 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC001080882831 993454079 /nfs/dbraw/zinc/45/40/79/993454079.db2.gz VGROVWIUTDWNAT-AUUYWEPGSA-N 1 2 359.433 2.685 20 30 FFEDLO CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001080945454 993497030 /nfs/dbraw/zinc/49/70/30/993497030.db2.gz DQSTWQREQAJHLH-RDTXWAMCSA-N 1 2 354.429 2.769 20 30 FFEDLO CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001080945454 993497033 /nfs/dbraw/zinc/49/70/33/993497033.db2.gz DQSTWQREQAJHLH-RDTXWAMCSA-N 1 2 354.429 2.769 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cccc(C)c1 ZINC001081313728 993796069 /nfs/dbraw/zinc/79/60/69/993796069.db2.gz JAHRZZSSYWJRBU-QZTJIDSGSA-N 1 2 355.463 2.557 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cccc(C)c1 ZINC001081313728 993796078 /nfs/dbraw/zinc/79/60/78/993796078.db2.gz JAHRZZSSYWJRBU-QZTJIDSGSA-N 1 2 355.463 2.557 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1cccc(C)c1 ZINC001081313445 993797174 /nfs/dbraw/zinc/79/71/74/993797174.db2.gz BSQRDJLGMAQBOG-WOJBJXKFSA-N 1 2 367.424 2.635 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1cccc(C)c1 ZINC001081313445 993797182 /nfs/dbraw/zinc/79/71/82/993797182.db2.gz BSQRDJLGMAQBOG-WOJBJXKFSA-N 1 2 367.424 2.635 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[C@@H]1C=CCCC1 ZINC001081846783 994016375 /nfs/dbraw/zinc/01/63/75/994016375.db2.gz IJSLFZMMEBYBMC-CDHQVMDDSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[C@@H]1C=CCCC1 ZINC001081846783 994016384 /nfs/dbraw/zinc/01/63/84/994016384.db2.gz IJSLFZMMEBYBMC-CDHQVMDDSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[C@H]1C=CCCC1 ZINC001081847155 994018647 /nfs/dbraw/zinc/01/86/47/994018647.db2.gz VXZNVKIYZJNFJX-BMGDILEWSA-N 1 2 359.495 2.682 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[C@H]1C=CCCC1 ZINC001081847155 994018655 /nfs/dbraw/zinc/01/86/55/994018655.db2.gz VXZNVKIYZJNFJX-BMGDILEWSA-N 1 2 359.495 2.682 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCCC12CC2 ZINC001081850679 994020214 /nfs/dbraw/zinc/02/02/14/994020214.db2.gz PORRMHDRGIDEOZ-QXAKKESOSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCCC12CC2 ZINC001081850679 994020224 /nfs/dbraw/zinc/02/02/24/994020224.db2.gz PORRMHDRGIDEOZ-QXAKKESOSA-N 1 2 371.456 2.593 20 30 FFEDLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001082150296 994208412 /nfs/dbraw/zinc/20/84/12/994208412.db2.gz ANEXZFXXKMWGPW-NXWXRZEISA-N 1 2 360.885 2.553 20 30 FFEDLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001082150296 994208420 /nfs/dbraw/zinc/20/84/20/994208420.db2.gz ANEXZFXXKMWGPW-NXWXRZEISA-N 1 2 360.885 2.553 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001082152571 994212499 /nfs/dbraw/zinc/21/24/99/994212499.db2.gz SMNUCHSXCXDKJT-HNBVOPMISA-N 1 2 373.472 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001082152571 994212511 /nfs/dbraw/zinc/21/25/11/994212511.db2.gz SMNUCHSXCXDKJT-HNBVOPMISA-N 1 2 373.472 2.695 20 30 FFEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)CCc3ccc(OC)cc3)CC2)cc1 ZINC000809553695 994545568 /nfs/dbraw/zinc/54/55/68/994545568.db2.gz IEKHLPVOSFSPHG-UHFFFAOYSA-N 1 2 362.473 2.954 20 30 FFEDLO COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000810532389 994814105 /nfs/dbraw/zinc/81/41/05/994814105.db2.gz DFIGFTQUPYXCEF-KXBFYZLASA-N 1 2 361.417 2.555 20 30 FFEDLO COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC000810532389 994814117 /nfs/dbraw/zinc/81/41/17/994814117.db2.gz DFIGFTQUPYXCEF-KXBFYZLASA-N 1 2 361.417 2.555 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3ccc(C#N)s3)C2)cc1 ZINC001132383540 994865744 /nfs/dbraw/zinc/86/57/44/994865744.db2.gz ZOVBSKWZKLNUDP-INIZCTEOSA-N 1 2 355.463 2.559 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)c3ccc(C#N)s3)C2)cc1 ZINC001132383540 994865754 /nfs/dbraw/zinc/86/57/54/994865754.db2.gz ZOVBSKWZKLNUDP-INIZCTEOSA-N 1 2 355.463 2.559 20 30 FFEDLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@](C)(C#N)C2)CN1C(=O)OC(C)(C)C ZINC001170650996 995303693 /nfs/dbraw/zinc/30/36/93/995303693.db2.gz FPQUVXDXPXSDCY-DOXZYTNZSA-N 1 2 365.474 2.553 20 30 FFEDLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@](C)(C#N)C2)CN1C(=O)OC(C)(C)C ZINC001170650996 995303698 /nfs/dbraw/zinc/30/36/98/995303698.db2.gz FPQUVXDXPXSDCY-DOXZYTNZSA-N 1 2 365.474 2.553 20 30 FFEDLO C#C[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000812748193 995524346 /nfs/dbraw/zinc/52/43/46/995524346.db2.gz PCMIEDIOSMGRGE-FQEVSTJZSA-N 1 2 352.409 2.762 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)c2cccc3ccccc32)[C@@H](O)C1 ZINC001084018654 996226529 /nfs/dbraw/zinc/22/65/29/996226529.db2.gz QTLWZYDEWJSTEX-YADHBBJMSA-N 1 2 371.440 2.687 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)c2cccc3ccccc32)[C@@H](O)C1 ZINC001084018654 996226531 /nfs/dbraw/zinc/22/65/31/996226531.db2.gz QTLWZYDEWJSTEX-YADHBBJMSA-N 1 2 371.440 2.687 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccs3)[C@@H]2C1 ZINC001084165392 996295849 /nfs/dbraw/zinc/29/58/49/996295849.db2.gz UGWRUEDSCGAMKP-NVXWUHKLSA-N 1 2 367.474 2.975 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cccs3)[C@@H]2C1 ZINC001084165392 996295855 /nfs/dbraw/zinc/29/58/55/996295855.db2.gz UGWRUEDSCGAMKP-NVXWUHKLSA-N 1 2 367.474 2.975 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC4CCOCC4)[C@@H]3C2)c(F)c1 ZINC001084242707 996349062 /nfs/dbraw/zinc/34/90/62/996349062.db2.gz FOKZFLKKKSWIBX-UYAOXDASSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CC4CCOCC4)[C@@H]3C2)c(F)c1 ZINC001084242707 996349066 /nfs/dbraw/zinc/34/90/66/996349066.db2.gz FOKZFLKKKSWIBX-UYAOXDASSA-N 1 2 371.456 2.547 20 30 FFEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3coc(-c4ccc(F)cc4)n3)C[C@H]21 ZINC001084232909 996382544 /nfs/dbraw/zinc/38/25/44/996382544.db2.gz MRARJHNMNJRTBR-JCKWVBRZSA-N 1 2 368.412 2.673 20 30 FFEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)C[C@H]21 ZINC001084232909 996382550 /nfs/dbraw/zinc/38/25/50/996382550.db2.gz MRARJHNMNJRTBR-JCKWVBRZSA-N 1 2 368.412 2.673 20 30 FFEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cccc(F)c4F)C[C@H]32)c[nH]1 ZINC001084289035 996394963 /nfs/dbraw/zinc/39/49/63/996394963.db2.gz MLFUYMXVWKCJHJ-SJKOYZFVSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(F)c4F)C[C@H]32)c[nH]1 ZINC001084289035 996394967 /nfs/dbraw/zinc/39/49/67/996394967.db2.gz MLFUYMXVWKCJHJ-SJKOYZFVSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccc(F)cn4)[C@@H]3C2)cc1F ZINC001084295924 996401312 /nfs/dbraw/zinc/40/13/12/996401312.db2.gz QXUUAMPRTSKDPN-DNVCBOLYSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(F)cn4)[C@@H]3C2)cc1F ZINC001084295924 996401317 /nfs/dbraw/zinc/40/13/17/996401317.db2.gz QXUUAMPRTSKDPN-DNVCBOLYSA-N 1 2 368.387 2.578 20 30 FFEDLO O=C(c1cnc(C2CC2)o1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084415160 996515411 /nfs/dbraw/zinc/51/54/11/996515411.db2.gz IPTDEHHCGCCGTE-RTBURBONSA-N 1 2 361.445 2.750 20 30 FFEDLO O=C(c1cnc(C2CC2)o1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084415160 996515414 /nfs/dbraw/zinc/51/54/14/996515414.db2.gz IPTDEHHCGCCGTE-RTBURBONSA-N 1 2 361.445 2.750 20 30 FFEDLO CCc1cccnc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084468870 996579268 /nfs/dbraw/zinc/57/92/68/996579268.db2.gz GHQPKNLDMGHEBO-CRAIPNDOSA-N 1 2 366.490 2.924 20 30 FFEDLO CCc1cccnc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084468870 996579270 /nfs/dbraw/zinc/57/92/70/996579270.db2.gz GHQPKNLDMGHEBO-CRAIPNDOSA-N 1 2 366.490 2.924 20 30 FFEDLO CCCc1n[nH]cc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084473216 996587423 /nfs/dbraw/zinc/58/74/23/996587423.db2.gz OICAGCIUYSZOSP-WIYYLYMNSA-N 1 2 362.477 2.560 20 30 FFEDLO CCCc1n[nH]cc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084473216 996587426 /nfs/dbraw/zinc/58/74/26/996587426.db2.gz OICAGCIUYSZOSP-WIYYLYMNSA-N 1 2 362.477 2.560 20 30 FFEDLO CO[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21)C1CCC1 ZINC001084552554 996671228 /nfs/dbraw/zinc/67/12/28/996671228.db2.gz HCXXAAUIXAMHJX-NSISKUIASA-N 1 2 371.456 2.545 20 30 FFEDLO CO[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21)C1CCC1 ZINC001084552554 996671233 /nfs/dbraw/zinc/67/12/33/996671233.db2.gz HCXXAAUIXAMHJX-NSISKUIASA-N 1 2 371.456 2.545 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3cccc(C)c3)C[C@H]21 ZINC001084577679 996691573 /nfs/dbraw/zinc/69/15/73/996691573.db2.gz SRTIZRDEJKCPKH-SJLPKXTDSA-N 1 2 355.482 2.678 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3cccc(C)c3)C[C@H]21 ZINC001084577679 996691579 /nfs/dbraw/zinc/69/15/79/996691579.db2.gz SRTIZRDEJKCPKH-SJLPKXTDSA-N 1 2 355.482 2.678 20 30 FFEDLO O=C(c1conc1C1CC1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084653849 996767096 /nfs/dbraw/zinc/76/70/96/996767096.db2.gz YQVIBPSDWLEQBP-UYAOXDASSA-N 1 2 361.445 2.750 20 30 FFEDLO O=C(c1conc1C1CC1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084653849 996767102 /nfs/dbraw/zinc/76/71/02/996767102.db2.gz YQVIBPSDWLEQBP-UYAOXDASSA-N 1 2 361.445 2.750 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001084672746 996821731 /nfs/dbraw/zinc/82/17/31/996821731.db2.gz LJEICOCHPQNFLG-OHHBCXFOSA-N 1 2 362.420 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001084672746 996821744 /nfs/dbraw/zinc/82/17/44/996821744.db2.gz LJEICOCHPQNFLG-OHHBCXFOSA-N 1 2 362.420 2.589 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000730095445 996844909 /nfs/dbraw/zinc/84/49/09/996844909.db2.gz CLKBXBPCBJETPJ-SFHVURJKSA-N 1 2 363.465 2.708 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000730095445 996844918 /nfs/dbraw/zinc/84/49/18/996844918.db2.gz CLKBXBPCBJETPJ-SFHVURJKSA-N 1 2 363.465 2.708 20 30 FFEDLO O=[N+]([O-])c1cc2c(cc1C=NNc1cc[nH+]c3ccccc13)OCCO2 ZINC000730146356 996893380 /nfs/dbraw/zinc/89/33/80/996893380.db2.gz SGAIMYHTZHCMFC-UHFFFAOYSA-N 1 2 350.334 2.782 20 30 FFEDLO CC#CC[NH2+]Cc1cn(Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)nn1 ZINC000881009117 1016075420 /nfs/dbraw/zinc/07/54/20/1016075420.db2.gz FYDBCMGACGEQNZ-UHFFFAOYSA-N 1 2 364.449 2.978 20 30 FFEDLO O=C(c1cc(C2CC2)no1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084693704 996939463 /nfs/dbraw/zinc/93/94/63/996939463.db2.gz QSZFICQAABVJNK-UYAOXDASSA-N 1 2 361.445 2.750 20 30 FFEDLO O=C(c1cc(C2CC2)no1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084693704 996939480 /nfs/dbraw/zinc/93/94/80/996939480.db2.gz QSZFICQAABVJNK-UYAOXDASSA-N 1 2 361.445 2.750 20 30 FFEDLO Cc1cnoc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084752124 997197162 /nfs/dbraw/zinc/19/71/62/997197162.db2.gz URVMMBICCCETHQ-SJLPKXTDSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1cnoc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084752124 997197167 /nfs/dbraw/zinc/19/71/67/997197167.db2.gz URVMMBICCCETHQ-SJLPKXTDSA-N 1 2 369.852 2.834 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)cc4F)C[C@H]32)cn1 ZINC001084783810 997332356 /nfs/dbraw/zinc/33/23/56/997332356.db2.gz LIFOLZXQDKOTKA-OXQOHEQNSA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)cc4F)C[C@H]32)cn1 ZINC001084783810 997332366 /nfs/dbraw/zinc/33/23/66/997332366.db2.gz LIFOLZXQDKOTKA-OXQOHEQNSA-N 1 2 367.399 2.688 20 30 FFEDLO CO[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21)C1CCCC1 ZINC001084801334 997431618 /nfs/dbraw/zinc/43/16/18/997431618.db2.gz UPOJTFFGPOSYPE-NJDAHSKKSA-N 1 2 367.493 2.796 20 30 FFEDLO CO[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21)C1CCCC1 ZINC001084801334 997431624 /nfs/dbraw/zinc/43/16/24/997431624.db2.gz UPOJTFFGPOSYPE-NJDAHSKKSA-N 1 2 367.493 2.796 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc4c(c3)CCC4)[C@@H]2C1 ZINC001084811482 997478040 /nfs/dbraw/zinc/47/80/40/997478040.db2.gz LQMWEMOEDAUNOS-IEBWSBKVSA-N 1 2 360.885 2.839 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccc4c(c3)CCC4)[C@@H]2C1 ZINC001084811482 997478050 /nfs/dbraw/zinc/47/80/50/997478050.db2.gz LQMWEMOEDAUNOS-IEBWSBKVSA-N 1 2 360.885 2.839 20 30 FFEDLO C#CC[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000844000918 997598269 /nfs/dbraw/zinc/59/82/69/997598269.db2.gz KCHJNPQKNQADFI-ROUUACIJSA-N 1 2 357.473 2.598 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](OC)c3ccc(F)cc3)[C@@H]2C1 ZINC001084862267 997694296 /nfs/dbraw/zinc/69/42/96/997694296.db2.gz BUXJCRWOJWDXFH-DJIMGWMZSA-N 1 2 352.837 2.798 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](OC)c3ccc(F)cc3)[C@@H]2C1 ZINC001084862267 997694300 /nfs/dbraw/zinc/69/43/00/997694300.db2.gz BUXJCRWOJWDXFH-DJIMGWMZSA-N 1 2 352.837 2.798 20 30 FFEDLO COc1ccc(-c2noc(C[N@H+](C)C[C@H](O)c3cccc(C#N)c3)n2)cc1 ZINC000844369813 997815051 /nfs/dbraw/zinc/81/50/51/997815051.db2.gz ZPQBTQLCJALIAX-SFHVURJKSA-N 1 2 364.405 2.782 20 30 FFEDLO COc1ccc(-c2noc(C[N@@H+](C)C[C@H](O)c3cccc(C#N)c3)n2)cc1 ZINC000844369813 997815067 /nfs/dbraw/zinc/81/50/67/997815067.db2.gz ZPQBTQLCJALIAX-SFHVURJKSA-N 1 2 364.405 2.782 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2cncc(C#N)c2)Cc2c1cnn2CC1CC1 ZINC001144074832 997991234 /nfs/dbraw/zinc/99/12/34/997991234.db2.gz FZBXNSYRPSUBCD-SFHVURJKSA-N 1 2 351.454 2.696 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)Cc2c1cnn2CC1CC1 ZINC001144074832 997991243 /nfs/dbraw/zinc/99/12/43/997991243.db2.gz FZBXNSYRPSUBCD-SFHVURJKSA-N 1 2 351.454 2.696 20 30 FFEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001144078636 997998016 /nfs/dbraw/zinc/99/80/16/997998016.db2.gz VTLAQRMRCAUIGZ-QGZVFWFLSA-N 1 2 365.437 2.727 20 30 FFEDLO Cc1c(N[NH+]=Cc2ccc(N3CC[NH+](C)CC3)cc2)cccc1C(=O)[O-] ZINC000844623471 998033844 /nfs/dbraw/zinc/03/38/44/998033844.db2.gz KPKFIVZIOONTBO-UHFFFAOYSA-N 1 2 352.438 2.891 20 30 FFEDLO C=CCn1c(C)nn(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)OC)C2)c1=S ZINC000844743592 998111451 /nfs/dbraw/zinc/11/14/51/998111451.db2.gz YHHRPZUIDBJNQI-DLBZAZTESA-N 1 2 372.494 2.755 20 30 FFEDLO C=CCn1c(C)nn(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)OC)C2)c1=S ZINC000844743592 998111460 /nfs/dbraw/zinc/11/14/60/998111460.db2.gz YHHRPZUIDBJNQI-DLBZAZTESA-N 1 2 372.494 2.755 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C(F)C(F)(F)F)C[C@@H]32)cc1 ZINC001084945445 998261047 /nfs/dbraw/zinc/26/10/47/998261047.db2.gz AROBLFQLLNSVPN-PMPSAXMXSA-N 1 2 369.362 2.881 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C(F)C(F)(F)F)C[C@@H]32)cc1 ZINC001084945445 998261057 /nfs/dbraw/zinc/26/10/57/998261057.db2.gz AROBLFQLLNSVPN-PMPSAXMXSA-N 1 2 369.362 2.881 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@@H+](Cc3coc(C)n3)[C@H]2C1 ZINC001084959079 998362705 /nfs/dbraw/zinc/36/27/05/998362705.db2.gz RFFYEHZFYWCQHG-APWZRJJASA-N 1 2 354.454 2.707 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@H+](Cc3coc(C)n3)[C@H]2C1 ZINC001084959079 998362710 /nfs/dbraw/zinc/36/27/10/998362710.db2.gz RFFYEHZFYWCQHG-APWZRJJASA-N 1 2 354.454 2.707 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1coc(C2CC2)n1 ZINC001049732603 1016214544 /nfs/dbraw/zinc/21/45/44/1016214544.db2.gz OLFOZKFHFRDFFJ-HCXYKTFWSA-N 1 2 371.481 2.708 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1coc(C2CC2)n1 ZINC001049732603 1016214552 /nfs/dbraw/zinc/21/45/52/1016214552.db2.gz OLFOZKFHFRDFFJ-HCXYKTFWSA-N 1 2 371.481 2.708 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000732068129 998440819 /nfs/dbraw/zinc/44/08/19/998440819.db2.gz UJDCIYJESDUWIU-ZDUSSCGKSA-N 1 2 364.327 2.792 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000732068129 998440827 /nfs/dbraw/zinc/44/08/27/998440827.db2.gz UJDCIYJESDUWIU-ZDUSSCGKSA-N 1 2 364.327 2.792 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@@H](C)O1 ZINC000732207972 998532006 /nfs/dbraw/zinc/53/20/06/998532006.db2.gz FRSDZFGXNDJFAB-BMFZPTHFSA-N 1 2 350.422 2.723 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@@H](C)O1 ZINC000732207972 998532015 /nfs/dbraw/zinc/53/20/15/998532015.db2.gz FRSDZFGXNDJFAB-BMFZPTHFSA-N 1 2 350.422 2.723 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@@H](C)O1 ZINC000732207973 998532495 /nfs/dbraw/zinc/53/24/95/998532495.db2.gz FRSDZFGXNDJFAB-FVQBIDKESA-N 1 2 350.422 2.723 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@@H](C)O1 ZINC000732207973 998532505 /nfs/dbraw/zinc/53/25/05/998532505.db2.gz FRSDZFGXNDJFAB-FVQBIDKESA-N 1 2 350.422 2.723 20 30 FFEDLO CC[NH+](CC)[C@@H](C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000732347047 998622598 /nfs/dbraw/zinc/62/25/98/998622598.db2.gz ALCXTJANVZYBTF-UYAOXDASSA-N 1 2 359.470 2.667 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CC4)n3C)[C@H]2C1 ZINC001085023995 998701408 /nfs/dbraw/zinc/70/14/08/998701408.db2.gz LDPFFKDFNKOISK-KUDFPVQQSA-N 1 2 371.529 2.718 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C)[C@H]2C1 ZINC001085023995 998701410 /nfs/dbraw/zinc/70/14/10/998701410.db2.gz LDPFFKDFNKOISK-KUDFPVQQSA-N 1 2 371.529 2.718 20 30 FFEDLO C#Cc1cncc(C(=O)N2CC[C@H]3CC[N@@H+](C/C(Cl)=C/Cl)[C@H]3C2)c1 ZINC001085027921 998706576 /nfs/dbraw/zinc/70/65/76/998706576.db2.gz ZQQFIEKOFRFDRO-VWAINHAJSA-N 1 2 364.276 2.918 20 30 FFEDLO C#Cc1cncc(C(=O)N2CC[C@H]3CC[N@H+](C/C(Cl)=C/Cl)[C@H]3C2)c1 ZINC001085027921 998706577 /nfs/dbraw/zinc/70/65/77/998706577.db2.gz ZQQFIEKOFRFDRO-VWAINHAJSA-N 1 2 364.276 2.918 20 30 FFEDLO C#CCOc1ccccc1C[NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000734159985 999217225 /nfs/dbraw/zinc/21/72/25/999217225.db2.gz TUXANOUUTUVGOC-FQEVSTJZSA-N 1 2 352.409 2.947 20 30 FFEDLO C[C@H]1C[N@H+](Cc2ccccn2)CCC1N=Nc1ccccc1S(C)(=O)=O ZINC000734365043 999273464 /nfs/dbraw/zinc/27/34/64/999273464.db2.gz QQRKGFPXJAHQAR-HNNXBMFYSA-N 1 2 372.494 2.795 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2ccccn2)CCC1N=Nc1ccccc1S(C)(=O)=O ZINC000734365043 999273468 /nfs/dbraw/zinc/27/34/68/999273468.db2.gz QQRKGFPXJAHQAR-HNNXBMFYSA-N 1 2 372.494 2.795 20 30 FFEDLO Cc1cn(C(C)(C)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c[nH+]1 ZINC000826785192 999418023 /nfs/dbraw/zinc/41/80/23/999418023.db2.gz JPYGZLSBRBOUPJ-UHFFFAOYSA-N 1 2 367.453 2.700 20 30 FFEDLO Cc1noc([C@@H](C)O[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)n1 ZINC000736299477 999552214 /nfs/dbraw/zinc/55/22/14/999552214.db2.gz OBMNFCAFQJVXHO-GFCCVEGCSA-N 1 2 353.382 2.750 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066278560 999578704 /nfs/dbraw/zinc/57/87/04/999578704.db2.gz NSKXFHFESXGCGW-RCCFBDPRSA-N 1 2 370.497 2.779 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066278560 999578707 /nfs/dbraw/zinc/57/87/07/999578707.db2.gz NSKXFHFESXGCGW-RCCFBDPRSA-N 1 2 370.497 2.779 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC#Cc2cccc(Cl)c2)O1 ZINC001085826638 999643184 /nfs/dbraw/zinc/64/31/84/999643184.db2.gz UFKOWEOTSXVCCR-ATZDWAIDSA-N 1 2 360.885 2.792 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC#Cc2cccc(Cl)c2)O1 ZINC001085826638 999643185 /nfs/dbraw/zinc/64/31/85/999643185.db2.gz UFKOWEOTSXVCCR-ATZDWAIDSA-N 1 2 360.885 2.792 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]2CN(C)C(=O)[C@@H]2C[C@H]2C2CC2)cc1C#N ZINC001085866715 999660379 /nfs/dbraw/zinc/66/03/79/999660379.db2.gz QNTWGNHAZREUCA-GBESFXJTSA-N 1 2 353.466 2.646 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]2CN(C)C(=O)[C@@H]2C[C@H]2C2CC2)cc1C#N ZINC001085866715 999660382 /nfs/dbraw/zinc/66/03/82/999660382.db2.gz QNTWGNHAZREUCA-GBESFXJTSA-N 1 2 353.466 2.646 20 30 FFEDLO C[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000741796947 999743374 /nfs/dbraw/zinc/74/33/74/999743374.db2.gz GOUBPDGVMISXMX-KSSFIOAISA-N 1 2 372.428 2.958 20 30 FFEDLO C[C@H]1Cc2ccccc2C[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000741796947 999743378 /nfs/dbraw/zinc/74/33/78/999743378.db2.gz GOUBPDGVMISXMX-KSSFIOAISA-N 1 2 372.428 2.958 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)CC1 ZINC000742606785 999780150 /nfs/dbraw/zinc/78/01/50/999780150.db2.gz JNZGKIBQHYZPQC-UHFFFAOYSA-N 1 2 359.445 2.591 20 30 FFEDLO CC(C)NC(=O)CO[NH+]=C(N)c1ccc(COc2ccccc2F)cc1 ZINC000745450515 999914731 /nfs/dbraw/zinc/91/47/31/999914731.db2.gz GKQQRQOVMFJLMR-UHFFFAOYSA-N 1 2 359.401 2.566 20 30 FFEDLO C=CCn1c(-c2ccccn2)nn(CN(C)CCCn2cc[nH+]c2)c1=S ZINC000767758993 1000142679 /nfs/dbraw/zinc/14/26/79/1000142679.db2.gz HUJVIVGQMIBAFM-UHFFFAOYSA-N 1 2 369.498 2.838 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(F)cccc1F ZINC001109213030 1000188170 /nfs/dbraw/zinc/18/81/70/1000188170.db2.gz LWYWECADRSAZSL-VIXHLQAQSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(F)cccc1F ZINC001109213030 1000188172 /nfs/dbraw/zinc/18/81/72/1000188172.db2.gz LWYWECADRSAZSL-VIXHLQAQSA-N 1 2 350.409 2.513 20 30 FFEDLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@@H+]1[C@H](C)Cc1cccc(C#N)c1 ZINC001171212149 1000204167 /nfs/dbraw/zinc/20/41/67/1000204167.db2.gz JQDQMHRNYUJDKZ-FOIQADDNSA-N 1 2 365.481 2.737 20 30 FFEDLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@H+]1[C@H](C)Cc1cccc(C#N)c1 ZINC001171212149 1000204169 /nfs/dbraw/zinc/20/41/69/1000204169.db2.gz JQDQMHRNYUJDKZ-FOIQADDNSA-N 1 2 365.481 2.737 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F)C(C)C ZINC001109266094 1000207420 /nfs/dbraw/zinc/20/74/20/1000207420.db2.gz MFLOKCRJADALFZ-GTAWCEEGSA-N 1 2 373.472 2.980 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F)C(C)C ZINC001109266094 1000207425 /nfs/dbraw/zinc/20/74/25/1000207425.db2.gz MFLOKCRJADALFZ-GTAWCEEGSA-N 1 2 373.472 2.980 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1Cl ZINC001109273378 1000215523 /nfs/dbraw/zinc/21/55/23/1000215523.db2.gz CQMIFVSYUZHMIO-NJAFHUGGSA-N 1 2 364.848 2.741 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1Cl ZINC001109273378 1000215530 /nfs/dbraw/zinc/21/55/30/1000215530.db2.gz CQMIFVSYUZHMIO-NJAFHUGGSA-N 1 2 364.848 2.741 20 30 FFEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000768708925 1000327242 /nfs/dbraw/zinc/32/72/42/1000327242.db2.gz NIQOLXFOIZDFST-OAHLLOKOSA-N 1 2 373.844 2.578 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(C#N)nc1)n1cc[nH+]c1 ZINC001091295523 1000380165 /nfs/dbraw/zinc/38/01/65/1000380165.db2.gz AFXIPPZDGWACCU-ZTFGCOKTSA-N 1 2 352.442 2.640 20 30 FFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(C#N)cc1F ZINC001091298849 1000384207 /nfs/dbraw/zinc/38/42/07/1000384207.db2.gz PIXJCSKOBBESDV-CSMYWGQOSA-N 1 2 370.432 2.534 20 30 FFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(C#N)cc1F ZINC001091298849 1000384213 /nfs/dbraw/zinc/38/42/13/1000384213.db2.gz PIXJCSKOBBESDV-CSMYWGQOSA-N 1 2 370.432 2.534 20 30 FFEDLO Cc1nc(N2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@H](C)C#N)C2)c(C)c(C)[nH+]1 ZINC001091527131 1000609386 /nfs/dbraw/zinc/60/93/86/1000609386.db2.gz LFDJCSXHTNUDTC-ZNZDAUKMSA-N 1 2 363.465 2.650 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(C)cc1 ZINC001109601631 1000696379 /nfs/dbraw/zinc/69/63/79/1000696379.db2.gz IWDPICPEAULDBY-SQNIBIBYSA-N 1 2 355.482 2.867 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(C)cc1 ZINC001109601631 1000696383 /nfs/dbraw/zinc/69/63/83/1000696383.db2.gz IWDPICPEAULDBY-SQNIBIBYSA-N 1 2 355.482 2.867 20 30 FFEDLO N#Cc1ccc(OCC(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)cc1 ZINC001276165369 1016441183 /nfs/dbraw/zinc/44/11/83/1016441183.db2.gz XDLGDKUJNSEUHD-UHFFFAOYSA-N 1 2 367.371 2.566 20 30 FFEDLO N#Cc1ccc(OCC(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)cc1 ZINC001276165369 1016441193 /nfs/dbraw/zinc/44/11/93/1016441193.db2.gz XDLGDKUJNSEUHD-UHFFFAOYSA-N 1 2 367.371 2.566 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC(C)(C)C)CCC1 ZINC001109683270 1000839377 /nfs/dbraw/zinc/83/93/77/1000839377.db2.gz FDKZQACSVITHGN-IKGGRYGDSA-N 1 2 361.530 2.617 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC(C)(C)C)CCC1 ZINC001109683270 1000839381 /nfs/dbraw/zinc/83/93/81/1000839381.db2.gz FDKZQACSVITHGN-IKGGRYGDSA-N 1 2 361.530 2.617 20 30 FFEDLO C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc(C4CCCCC4)[nH]n3)C[C@]2(C)C1 ZINC001091745561 1001200208 /nfs/dbraw/zinc/20/02/08/1001200208.db2.gz NUYYJWGKIQUTJZ-UTKZUKDTSA-N 1 2 354.498 2.875 20 30 FFEDLO C#CCC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C4CCCCC4)[nH]n3)C[C@]2(C)C1 ZINC001091745561 1001200213 /nfs/dbraw/zinc/20/02/13/1001200213.db2.gz NUYYJWGKIQUTJZ-UTKZUKDTSA-N 1 2 354.498 2.875 20 30 FFEDLO CN(CCCCCCNc1ncccc1C#N)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001091751531 1001221321 /nfs/dbraw/zinc/22/13/21/1001221321.db2.gz GOEZXHIIKHHZJH-IAGOWNOFSA-N 1 2 366.469 2.911 20 30 FFEDLO CN(CCCCCCNc1ncccc1C#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001091751531 1001221324 /nfs/dbraw/zinc/22/13/24/1001221324.db2.gz GOEZXHIIKHHZJH-IAGOWNOFSA-N 1 2 366.469 2.911 20 30 FFEDLO C=CCc1cccc(C[N@H+]2C[C@]3(F)CN(CC(=C)C)C(=O)[C@]3(F)C2)c1O ZINC001276180436 1016488406 /nfs/dbraw/zinc/48/84/06/1016488406.db2.gz DEVIUFWQXFPFSF-VQTJNVASSA-N 1 2 362.420 2.771 20 30 FFEDLO C=CCc1cccc(C[N@@H+]2C[C@]3(F)CN(CC(=C)C)C(=O)[C@]3(F)C2)c1O ZINC001276180436 1016488413 /nfs/dbraw/zinc/48/84/13/1016488413.db2.gz DEVIUFWQXFPFSF-VQTJNVASSA-N 1 2 362.420 2.771 20 30 FFEDLO CC[C@@]1(C)C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000785494728 1001444839 /nfs/dbraw/zinc/44/48/39/1001444839.db2.gz HWKXRXQHJNWGSB-YWZLYKJASA-N 1 2 350.422 2.725 20 30 FFEDLO CC[C@@]1(C)C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000785494728 1001444841 /nfs/dbraw/zinc/44/48/41/1001444841.db2.gz HWKXRXQHJNWGSB-YWZLYKJASA-N 1 2 350.422 2.725 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC(C)(C)C)C3)c1 ZINC001110290671 1001848545 /nfs/dbraw/zinc/84/85/45/1001848545.db2.gz MFFWJQRKAHRRAE-QRVBRYPASA-N 1 2 367.493 2.764 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC(C)(C)C)C3)c1 ZINC001110290671 1001848559 /nfs/dbraw/zinc/84/85/59/1001848559.db2.gz MFFWJQRKAHRRAE-QRVBRYPASA-N 1 2 367.493 2.764 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096789176 1016546071 /nfs/dbraw/zinc/54/60/71/1016546071.db2.gz UYPQKZRUWADZTH-NXHRZFHOSA-N 1 2 368.412 2.838 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096789176 1016546085 /nfs/dbraw/zinc/54/60/85/1016546085.db2.gz UYPQKZRUWADZTH-NXHRZFHOSA-N 1 2 368.412 2.838 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@@H+](Cc4cn(C(C)(C)C)nn4)C[C@@]3(C)C2)C1 ZINC001091996455 1002203450 /nfs/dbraw/zinc/20/34/50/1002203450.db2.gz WLZKHKATSSKWCH-IERDGZPVSA-N 1 2 371.529 2.670 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](Cc4cn(C(C)(C)C)nn4)C[C@@]3(C)C2)C1 ZINC001091996455 1002203457 /nfs/dbraw/zinc/20/34/57/1002203457.db2.gz WLZKHKATSSKWCH-IERDGZPVSA-N 1 2 371.529 2.670 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](Cc4nc(C5CCC5)no4)C[C@@]3(C)C2)C1 ZINC001091996445 1002203812 /nfs/dbraw/zinc/20/38/12/1002203812.db2.gz VXMZDBNDHBZAOK-IERDGZPVSA-N 1 2 370.497 2.974 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@@H+](Cc4nc(C5CCC5)no4)C[C@@]3(C)C2)C1 ZINC001091996445 1002203823 /nfs/dbraw/zinc/20/38/23/1002203823.db2.gz VXMZDBNDHBZAOK-IERDGZPVSA-N 1 2 370.497 2.974 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CC4)no3)C[C@@]2(C)C1 ZINC001091978446 1002240634 /nfs/dbraw/zinc/24/06/34/1002240634.db2.gz RMTDAAHOSIDOHK-XPGWFJOJSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CC4)no3)C[C@@]2(C)C1 ZINC001091978446 1002240643 /nfs/dbraw/zinc/24/06/43/1002240643.db2.gz RMTDAAHOSIDOHK-XPGWFJOJSA-N 1 2 358.486 2.830 20 30 FFEDLO Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)n1 ZINC001096820427 1016595968 /nfs/dbraw/zinc/59/59/68/1016595968.db2.gz NBLNHJNZUPKZEH-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)n1 ZINC001096820427 1016595982 /nfs/dbraw/zinc/59/59/82/1016595982.db2.gz NBLNHJNZUPKZEH-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO N#Cc1ccc([C@@H](O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000790156560 1002294859 /nfs/dbraw/zinc/29/48/59/1002294859.db2.gz FBETYHIGEKJJHB-LJQANCHMSA-N 1 2 364.449 2.531 20 30 FFEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000790127191 1002295316 /nfs/dbraw/zinc/29/53/16/1002295316.db2.gz OPPWOXBYDONVQQ-GASCZTMLSA-N 1 2 368.399 2.625 20 30 FFEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000790127191 1002295329 /nfs/dbraw/zinc/29/53/29/1002295329.db2.gz OPPWOXBYDONVQQ-GASCZTMLSA-N 1 2 368.399 2.625 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)[C@H](CC2CCCC2)NC(=O)OC(C)(C)C)CC1 ZINC001183547467 1002304037 /nfs/dbraw/zinc/30/40/37/1002304037.db2.gz UNAQNWDWRALITA-KRWDZBQOSA-N 1 2 365.518 2.790 20 30 FFEDLO C[C@@H]1OCC[C@]12C[N@H+](Cn1ccc(-c3ccc(C#N)cc3)n1)C[C@@H](C)O2 ZINC000790408280 1002364659 /nfs/dbraw/zinc/36/46/59/1002364659.db2.gz UARDFCJUYZAINX-GUXCAODWSA-N 1 2 352.438 2.648 20 30 FFEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cn1ccc(-c3ccc(C#N)cc3)n1)C[C@@H](C)O2 ZINC000790408280 1002364672 /nfs/dbraw/zinc/36/46/72/1002364672.db2.gz UARDFCJUYZAINX-GUXCAODWSA-N 1 2 352.438 2.648 20 30 FFEDLO Cc1ccc2c(c1)CC[N@@H+](CN1CC(=O)N(Cc3ccc(C#N)cc3)C1=O)C2 ZINC000790451843 1002381151 /nfs/dbraw/zinc/38/11/51/1002381151.db2.gz LJWBHAWDCNILNZ-UHFFFAOYSA-N 1 2 374.444 2.647 20 30 FFEDLO Cc1ccc2c(c1)CC[N@H+](CN1CC(=O)N(Cc3ccc(C#N)cc3)C1=O)C2 ZINC000790451843 1002381168 /nfs/dbraw/zinc/38/11/68/1002381168.db2.gz LJWBHAWDCNILNZ-UHFFFAOYSA-N 1 2 374.444 2.647 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCc2cnccc2C1 ZINC001183829223 1002401434 /nfs/dbraw/zinc/40/14/34/1002401434.db2.gz KMFYSFGZBHKHJJ-NRFANRHFSA-N 1 2 360.461 2.893 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCc2cnccc2C1 ZINC001183829223 1002401442 /nfs/dbraw/zinc/40/14/42/1002401442.db2.gz KMFYSFGZBHKHJJ-NRFANRHFSA-N 1 2 360.461 2.893 20 30 FFEDLO COC(=O)CCCCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183838175 1002405667 /nfs/dbraw/zinc/40/56/67/1002405667.db2.gz BBVODKWUKZDKSR-LJQANCHMSA-N 1 2 371.481 2.762 20 30 FFEDLO COC(=O)CCCCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183838175 1002405672 /nfs/dbraw/zinc/40/56/72/1002405672.db2.gz BBVODKWUKZDKSR-LJQANCHMSA-N 1 2 371.481 2.762 20 30 FFEDLO CC1(C)C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CCO1 ZINC001183838966 1002406963 /nfs/dbraw/zinc/40/69/63/1002406963.db2.gz OXTOVSMUGZXQCB-MOPGFXCFSA-N 1 2 355.482 2.987 20 30 FFEDLO CC1(C)C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)CCO1 ZINC001183838966 1002406966 /nfs/dbraw/zinc/40/69/66/1002406966.db2.gz OXTOVSMUGZXQCB-MOPGFXCFSA-N 1 2 355.482 2.987 20 30 FFEDLO CCn1cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)ccc1=O ZINC001183841441 1002408348 /nfs/dbraw/zinc/40/83/48/1002408348.db2.gz NPXGJBBXPSRREW-IBGZPJMESA-N 1 2 364.449 2.733 20 30 FFEDLO CCn1cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)ccc1=O ZINC001183841441 1002408355 /nfs/dbraw/zinc/40/83/55/1002408355.db2.gz NPXGJBBXPSRREW-IBGZPJMESA-N 1 2 364.449 2.733 20 30 FFEDLO C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001086588341 1002418220 /nfs/dbraw/zinc/41/82/20/1002418220.db2.gz QJADEOJFLNTIFF-SLYNCCJLSA-N 1 2 364.493 2.990 20 30 FFEDLO C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001086588341 1002418225 /nfs/dbraw/zinc/41/82/25/1002418225.db2.gz QJADEOJFLNTIFF-SLYNCCJLSA-N 1 2 364.493 2.990 20 30 FFEDLO Cc1ccn(C[NH+]2CCC(c3ccc(N(C)C)cc3)CC2)c(=O)c1C#N ZINC000774695870 1002438585 /nfs/dbraw/zinc/43/85/85/1002438585.db2.gz WJUVMIKVHGVEBT-UHFFFAOYSA-N 1 2 350.466 2.932 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1occc1Br ZINC001276250237 1016621253 /nfs/dbraw/zinc/62/12/53/1016621253.db2.gz XGAROIAUYDZZMT-MRXNPFEDSA-N 1 2 351.244 2.632 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1occc1Br ZINC001276250237 1016621261 /nfs/dbraw/zinc/62/12/61/1016621261.db2.gz XGAROIAUYDZZMT-MRXNPFEDSA-N 1 2 351.244 2.632 20 30 FFEDLO N#Cc1c(F)cccc1N[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001096844876 1016626234 /nfs/dbraw/zinc/62/62/34/1016626234.db2.gz JXCVKUVUMFWOTC-XNJGSVPQSA-N 1 2 353.401 2.531 20 30 FFEDLO N#Cc1c(F)cccc1N[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001096844876 1016626242 /nfs/dbraw/zinc/62/62/42/1016626242.db2.gz JXCVKUVUMFWOTC-XNJGSVPQSA-N 1 2 353.401 2.531 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccnc(C)n2)C1 ZINC001092315601 1002667923 /nfs/dbraw/zinc/66/79/23/1002667923.db2.gz IFIVJWUAMSOIPH-USXIJHARSA-N 1 2 368.485 2.527 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3nncs3)C[C@@]2(C)C1)c1ccccc1 ZINC001092294851 1002710644 /nfs/dbraw/zinc/71/06/44/1002710644.db2.gz HYCGNSPTQHBQMR-UWVAXJGDSA-N 1 2 368.506 2.788 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3nncs3)C[C@@]2(C)C1)c1ccccc1 ZINC001092294851 1002710660 /nfs/dbraw/zinc/71/06/60/1002710660.db2.gz HYCGNSPTQHBQMR-UWVAXJGDSA-N 1 2 368.506 2.788 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ccnc(C2CC2)n1 ZINC001097966999 1016727593 /nfs/dbraw/zinc/72/75/93/1016727593.db2.gz LKSYKUSFMHQRFA-NRSPTQNISA-N 1 2 372.472 2.741 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ccnc(C2CC2)n1 ZINC001097966999 1016727607 /nfs/dbraw/zinc/72/76/07/1016727607.db2.gz LKSYKUSFMHQRFA-NRSPTQNISA-N 1 2 372.472 2.741 20 30 FFEDLO Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)c1 ZINC001096913076 1016728566 /nfs/dbraw/zinc/72/85/66/1016728566.db2.gz XKPXEFLMJFNFGO-RLLQIKCJSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)c1 ZINC001096913076 1016728579 /nfs/dbraw/zinc/72/85/79/1016728579.db2.gz XKPXEFLMJFNFGO-RLLQIKCJSA-N 1 2 364.424 2.936 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)NCC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC001092572168 1003234816 /nfs/dbraw/zinc/23/48/16/1003234816.db2.gz GLBAAKMMRCPEMG-ARFHVFGLSA-N 1 2 370.501 2.544 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000793510942 1003392143 /nfs/dbraw/zinc/39/21/43/1003392143.db2.gz ZFNCYEHZPCORTB-QUCCMNQESA-N 1 2 371.481 2.627 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000793510942 1003392154 /nfs/dbraw/zinc/39/21/54/1003392154.db2.gz ZFNCYEHZPCORTB-QUCCMNQESA-N 1 2 371.481 2.627 20 30 FFEDLO C[C@@H]1C(=O)N(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)[C@@H]1c1ccccc1 ZINC000793588749 1003431561 /nfs/dbraw/zinc/43/15/61/1003431561.db2.gz DOEAYTGIQDYMQY-CVAIRZPRSA-N 1 2 362.433 2.583 20 30 FFEDLO C[C@@H]1C(=O)N(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)[C@@H]1c1ccccc1 ZINC000793588749 1003431566 /nfs/dbraw/zinc/43/15/66/1003431566.db2.gz DOEAYTGIQDYMQY-CVAIRZPRSA-N 1 2 362.433 2.583 20 30 FFEDLO Cc1nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)C)C3)c2c([nH+]1)CCCC2 ZINC001092829557 1003624479 /nfs/dbraw/zinc/62/44/79/1003624479.db2.gz VFXQHLRHXGSLFB-MNEFBYGVSA-N 1 2 352.482 2.549 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001196475458 1003781397 /nfs/dbraw/zinc/78/13/97/1003781397.db2.gz WTOGWYFWTXJCAQ-HZPDHXFCSA-N 1 2 370.415 2.969 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001196475458 1003781402 /nfs/dbraw/zinc/78/14/02/1003781402.db2.gz WTOGWYFWTXJCAQ-HZPDHXFCSA-N 1 2 370.415 2.969 20 30 FFEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001196935062 1004002408 /nfs/dbraw/zinc/00/24/08/1004002408.db2.gz FPUALWJECPDRFG-ZFWWWQNUSA-N 1 2 362.253 2.783 20 30 FFEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001196935062 1004002420 /nfs/dbraw/zinc/00/24/20/1004002420.db2.gz FPUALWJECPDRFG-ZFWWWQNUSA-N 1 2 362.253 2.783 20 30 FFEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC001197031180 1004053710 /nfs/dbraw/zinc/05/37/10/1004053710.db2.gz ILFQLTTUOKTCCT-QZTJIDSGSA-N 1 2 362.477 2.946 20 30 FFEDLO C#C[C@H]([NH2+]Cc1nc2ccccc2c(C)c1C(=O)OCC)[C@H]1CCCO1 ZINC000775794983 1004403867 /nfs/dbraw/zinc/40/38/67/1004403867.db2.gz ULZJDZPDWRMAOM-QFBILLFUSA-N 1 2 352.434 2.990 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(-c2ccccc2)no1 ZINC001110496724 1004415216 /nfs/dbraw/zinc/41/52/16/1004415216.db2.gz CXCVHVVETKVSKO-KURKYZTESA-N 1 2 364.449 2.762 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(-c2ccccc2)no1 ZINC001110496724 1004415221 /nfs/dbraw/zinc/41/52/21/1004415221.db2.gz CXCVHVVETKVSKO-KURKYZTESA-N 1 2 364.449 2.762 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncc(F)cc1F)C2 ZINC001095623158 1016877735 /nfs/dbraw/zinc/87/77/35/1016877735.db2.gz YGFAWHYZUIJGFZ-NJAFHUGGSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncc(F)cc1F)C2 ZINC001095623158 1016877752 /nfs/dbraw/zinc/87/77/52/1016877752.db2.gz YGFAWHYZUIJGFZ-NJAFHUGGSA-N 1 2 368.387 2.767 20 30 FFEDLO CCC[C@@H](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001193286939 1004438583 /nfs/dbraw/zinc/43/85/83/1004438583.db2.gz OXZZZFNPAWMIQX-NSISKUIASA-N 1 2 357.498 2.826 20 30 FFEDLO CCC[C@@H](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001193286939 1004438586 /nfs/dbraw/zinc/43/85/86/1004438586.db2.gz OXZZZFNPAWMIQX-NSISKUIASA-N 1 2 357.498 2.826 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cnc(C)cn2)C[C@H]1O ZINC001198087920 1004476673 /nfs/dbraw/zinc/47/66/73/1004476673.db2.gz OZRASSUTGZETEE-QXAKKESOSA-N 1 2 362.518 2.758 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cnc(C)cn2)C[C@H]1O ZINC001198087920 1004476677 /nfs/dbraw/zinc/47/66/77/1004476677.db2.gz OZRASSUTGZETEE-QXAKKESOSA-N 1 2 362.518 2.758 20 30 FFEDLO N#Cc1cccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1O ZINC001193659283 1004542708 /nfs/dbraw/zinc/54/27/08/1004542708.db2.gz KRNOONSJGGONJM-UHFFFAOYSA-N 1 2 360.417 2.552 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccnn2C)cc1 ZINC001095634322 1016898920 /nfs/dbraw/zinc/89/89/20/1016898920.db2.gz IXHXFNXCPKMZQW-UXPWSPDFSA-N 1 2 366.465 2.520 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccnn2C)cc1 ZINC001095634322 1016898932 /nfs/dbraw/zinc/89/89/32/1016898932.db2.gz IXHXFNXCPKMZQW-UXPWSPDFSA-N 1 2 366.465 2.520 20 30 FFEDLO Cc1cc(N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)nc(C(C)C)[nH+]1 ZINC001050153890 1016917062 /nfs/dbraw/zinc/91/70/62/1016917062.db2.gz AEDWJWDMJWUWOO-HIFRSBDPSA-N 1 2 352.442 2.505 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCc2cc(Cl)cc(Cl)c2)C[C@H]1O ZINC001195312334 1004939903 /nfs/dbraw/zinc/93/99/03/1004939903.db2.gz MQRMICPAEOTESN-HZPDHXFCSA-N 1 2 371.308 2.909 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCc2cc(Cl)cc(Cl)c2)C[C@H]1O ZINC001195312334 1004939910 /nfs/dbraw/zinc/93/99/10/1004939910.db2.gz MQRMICPAEOTESN-HZPDHXFCSA-N 1 2 371.308 2.909 20 30 FFEDLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)C)C3)c1 ZINC001110539459 1004989242 /nfs/dbraw/zinc/98/92/42/1004989242.db2.gz UOTAGWJFYLMJKI-AFYVEPGGSA-N 1 2 367.493 2.703 20 30 FFEDLO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)C)C3)c1 ZINC001110539459 1004989246 /nfs/dbraw/zinc/98/92/46/1004989246.db2.gz UOTAGWJFYLMJKI-AFYVEPGGSA-N 1 2 367.493 2.703 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1c(F)cccc1F ZINC001110545185 1005064820 /nfs/dbraw/zinc/06/48/20/1005064820.db2.gz XVEDSIBHOGCOSB-JFTQMJAMSA-N 1 2 362.420 2.787 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1c(F)cccc1F ZINC001110545185 1005064823 /nfs/dbraw/zinc/06/48/23/1005064823.db2.gz XVEDSIBHOGCOSB-JFTQMJAMSA-N 1 2 362.420 2.787 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)c1F ZINC001110546197 1005072827 /nfs/dbraw/zinc/07/28/27/1005072827.db2.gz PXJXAAAGVAIJCA-WNOSKKOXSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)c1F ZINC001110546197 1005072835 /nfs/dbraw/zinc/07/28/35/1005072835.db2.gz PXJXAAAGVAIJCA-WNOSKKOXSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1Cl ZINC001110546180 1005073047 /nfs/dbraw/zinc/07/30/47/1005073047.db2.gz PGBCXNIFUVJWAN-QVDUIBETSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1Cl ZINC001110546180 1005073055 /nfs/dbraw/zinc/07/30/55/1005073055.db2.gz PGBCXNIFUVJWAN-QVDUIBETSA-N 1 2 364.848 2.739 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)C(C)C ZINC001110547626 1005083279 /nfs/dbraw/zinc/08/32/79/1005083279.db2.gz OUVQYEWKRHIFRU-CGXNFDGLSA-N 1 2 372.484 2.960 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)C(C)C ZINC001110547626 1005083284 /nfs/dbraw/zinc/08/32/84/1005083284.db2.gz OUVQYEWKRHIFRU-CGXNFDGLSA-N 1 2 372.484 2.960 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CO[C@@H](C)CC)C1 ZINC001111707516 1005115832 /nfs/dbraw/zinc/11/58/32/1005115832.db2.gz DSMLGRJNBAOJHK-DZKIICNBSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CO[C@@H](C)CC)C1 ZINC001111707516 1005115835 /nfs/dbraw/zinc/11/58/35/1005115835.db2.gz DSMLGRJNBAOJHK-DZKIICNBSA-N 1 2 359.308 2.681 20 30 FFEDLO C=CCCCC(=O)N1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC001488239728 1005130251 /nfs/dbraw/zinc/13/02/51/1005130251.db2.gz PZSZRGUDXKSZNJ-PZPFTHLGSA-N 1 2 370.497 2.520 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001490326573 1005695788 /nfs/dbraw/zinc/69/57/88/1005695788.db2.gz OJOHFEUSVFRHSA-GDBMZVCRSA-N 1 2 368.481 2.990 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187218144 1005985360 /nfs/dbraw/zinc/98/53/60/1005985360.db2.gz ZZMZKKVURSYDDO-OXFYSEKESA-N 1 2 371.456 2.711 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187218144 1005985370 /nfs/dbraw/zinc/98/53/70/1005985370.db2.gz ZZMZKKVURSYDDO-OXFYSEKESA-N 1 2 371.456 2.711 20 30 FFEDLO C=CCOCC[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852505489 1006059064 /nfs/dbraw/zinc/05/90/64/1006059064.db2.gz VSNRKQGKYVSFFF-HOTGVXAUSA-N 1 2 374.378 2.865 20 30 FFEDLO C=CCOCC[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852505489 1006059077 /nfs/dbraw/zinc/05/90/77/1006059077.db2.gz VSNRKQGKYVSFFF-HOTGVXAUSA-N 1 2 374.378 2.865 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nc(C4CC4)no3)C[C@H]21 ZINC001187605791 1006166731 /nfs/dbraw/zinc/16/67/31/1006166731.db2.gz UCCICYRCGPULPJ-BHYGNILZSA-N 1 2 356.470 2.734 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3nc(C4CC4)no3)C[C@H]21 ZINC001187605791 1006166739 /nfs/dbraw/zinc/16/67/39/1006166739.db2.gz UCCICYRCGPULPJ-BHYGNILZSA-N 1 2 356.470 2.734 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nc(C(C)(C)C)no3)C[C@H]21 ZINC001187714431 1006210240 /nfs/dbraw/zinc/21/02/40/1006210240.db2.gz RJHBBFHTMVPKEL-HRCADAONSA-N 1 2 358.486 2.764 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3nc(C(C)(C)C)no3)C[C@H]21 ZINC001187714431 1006210251 /nfs/dbraw/zinc/21/02/51/1006210251.db2.gz RJHBBFHTMVPKEL-HRCADAONSA-N 1 2 358.486 2.764 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(Cl)cc2c1OCC2 ZINC001110396755 1006225773 /nfs/dbraw/zinc/22/57/73/1006225773.db2.gz YCSNSEVIXJBTIQ-AHBIMHKDSA-N 1 2 359.857 2.656 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(Cl)cc2c1OCC2 ZINC001110396755 1006225782 /nfs/dbraw/zinc/22/57/82/1006225782.db2.gz YCSNSEVIXJBTIQ-AHBIMHKDSA-N 1 2 359.857 2.656 20 30 FFEDLO C[C@H](Nc1nccc(Oc2cccc(C#N)c2)n1)[C@H](C)[NH+]1CCOCC1 ZINC000881924376 1006257676 /nfs/dbraw/zinc/25/76/76/1006257676.db2.gz UYIIOLKKGHAXTM-GJZGRUSLSA-N 1 2 353.426 2.662 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](Cc3nc4ccc(F)cc4o3)C[C@H]21 ZINC001187828281 1006286532 /nfs/dbraw/zinc/28/65/32/1006286532.db2.gz TYIZGNTUOKJWPK-WMLDXEAASA-N 1 2 355.413 2.659 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@@H+](Cc3nc4ccc(F)cc4o3)C[C@H]21 ZINC001187828281 1006286539 /nfs/dbraw/zinc/28/65/39/1006286539.db2.gz TYIZGNTUOKJWPK-WMLDXEAASA-N 1 2 355.413 2.659 20 30 FFEDLO CCCCCCCCS(=O)(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001188010674 1006357341 /nfs/dbraw/zinc/35/73/41/1006357341.db2.gz QKQSVGAUPAXMAG-UHFFFAOYSA-N 1 2 367.559 2.932 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@H](C)O1 ZINC000111274267 1006375055 /nfs/dbraw/zinc/37/50/55/1006375055.db2.gz FRSDZFGXNDJFAB-NUEKZKHPSA-N 1 2 350.422 2.723 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@H](C)O1 ZINC000111274267 1006375068 /nfs/dbraw/zinc/37/50/68/1006375068.db2.gz FRSDZFGXNDJFAB-NUEKZKHPSA-N 1 2 350.422 2.723 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000814647075 1006390923 /nfs/dbraw/zinc/39/09/23/1006390923.db2.gz LQNRBQHLMLWAPL-HXUWFJFHSA-N 1 2 364.445 2.798 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000853473579 1006401791 /nfs/dbraw/zinc/40/17/91/1006401791.db2.gz IPOWFYDMEQKRFX-UHFFFAOYSA-N 1 2 373.478 2.736 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1cc(Cl)cnc1C#N)C[NH2+]C2(C)C ZINC001170759408 1006406119 /nfs/dbraw/zinc/40/61/19/1006406119.db2.gz AMJCRSXAJSOFKQ-UHFFFAOYSA-N 1 2 360.805 2.890 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001188244775 1006460465 /nfs/dbraw/zinc/46/04/65/1006460465.db2.gz AWKQKYNNGBIESD-QZTJIDSGSA-N 1 2 368.502 2.951 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001188244775 1006460467 /nfs/dbraw/zinc/46/04/67/1006460467.db2.gz AWKQKYNNGBIESD-QZTJIDSGSA-N 1 2 368.502 2.951 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1nc(CCCC)no1 ZINC001135068055 1006655289 /nfs/dbraw/zinc/65/52/89/1006655289.db2.gz YSEXIOKXPYTGES-ZOBUZTSGSA-N 1 2 364.490 2.550 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110683511 1006803744 /nfs/dbraw/zinc/80/37/44/1006803744.db2.gz FGZBHKZPJYYQMH-SQNIBIBYSA-N 1 2 358.486 2.853 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1oc(C(F)F)cc1C)C2 ZINC001110684614 1006831242 /nfs/dbraw/zinc/83/12/42/1006831242.db2.gz RDDXBLDRPPRXGB-MCIONIFRSA-N 1 2 352.381 2.511 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1oc(C(F)F)cc1C)C2 ZINC001110684614 1006831253 /nfs/dbraw/zinc/83/12/53/1006831253.db2.gz RDDXBLDRPPRXGB-MCIONIFRSA-N 1 2 352.381 2.511 20 30 FFEDLO CS[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206183308 1032176863 /nfs/dbraw/zinc/17/68/63/1032176863.db2.gz JILAJPKSNRIYQN-CKEIUWERSA-N 1 2 350.915 2.880 20 30 FFEDLO CS[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206183308 1032176864 /nfs/dbraw/zinc/17/68/64/1032176864.db2.gz JILAJPKSNRIYQN-CKEIUWERSA-N 1 2 350.915 2.880 20 30 FFEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCOC1 ZINC000883880121 1007057014 /nfs/dbraw/zinc/05/70/14/1007057014.db2.gz IVCMVOVBYYKHBH-PMACEKPBSA-N 1 2 370.497 2.591 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(Cc1cccs1)c1ccc(OC)cc1 ZINC000884057234 1007189995 /nfs/dbraw/zinc/18/99/95/1007189995.db2.gz ZQHQMMLQKKHCDL-KRWDZBQOSA-N 1 2 374.462 2.737 20 30 FFEDLO N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)cc2F)c[nH]1 ZINC001095329440 1007446902 /nfs/dbraw/zinc/44/69/02/1007446902.db2.gz MAZOEDOLISBSDV-NJAFHUGGSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)cc2F)c[nH]1 ZINC001095329440 1007446907 /nfs/dbraw/zinc/44/69/07/1007446907.db2.gz MAZOEDOLISBSDV-NJAFHUGGSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1cccc(OCC(=O)OCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000817182580 1007463418 /nfs/dbraw/zinc/46/34/18/1007463418.db2.gz XNLPSPQCTNFGHI-UHFFFAOYSA-N 1 2 366.417 2.513 20 30 FFEDLO CSc1ccc(CNc2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)cc1C#N ZINC000884643490 1007500277 /nfs/dbraw/zinc/50/02/77/1007500277.db2.gz JBEMVFPIELVAEX-ZFWWWQNUSA-N 1 2 369.494 2.889 20 30 FFEDLO CSc1ccc(CNc2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)cc1C#N ZINC000884643490 1007500282 /nfs/dbraw/zinc/50/02/82/1007500282.db2.gz JBEMVFPIELVAEX-ZFWWWQNUSA-N 1 2 369.494 2.889 20 30 FFEDLO C=C[C@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3cnns3)C[C@H]21)c1ccccc1 ZINC001190305716 1007561083 /nfs/dbraw/zinc/56/10/83/1007561083.db2.gz UYPHKRHDOQFQER-HHXXYDBFSA-N 1 2 368.506 2.931 20 30 FFEDLO C=C[C@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3cnns3)C[C@H]21)c1ccccc1 ZINC001190305716 1007561088 /nfs/dbraw/zinc/56/10/88/1007561088.db2.gz UYPHKRHDOQFQER-HHXXYDBFSA-N 1 2 368.506 2.931 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001190458323 1007652234 /nfs/dbraw/zinc/65/22/34/1007652234.db2.gz AVJBYIOKIUTJAA-OWCLPIDISA-N 1 2 361.486 2.596 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001190458323 1007652242 /nfs/dbraw/zinc/65/22/42/1007652242.db2.gz AVJBYIOKIUTJAA-OWCLPIDISA-N 1 2 361.486 2.596 20 30 FFEDLO CC(=O)c1cccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC001190756015 1007751550 /nfs/dbraw/zinc/75/15/50/1007751550.db2.gz LWTJPWYHCPHCOY-UHFFFAOYSA-N 1 2 362.433 2.572 20 30 FFEDLO C=CCCN(OCc1ccccc1)C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817874872 1007793522 /nfs/dbraw/zinc/79/35/22/1007793522.db2.gz SCWCGIBWRNCPER-UHFFFAOYSA-N 1 2 367.449 2.851 20 30 FFEDLO C=CCCn1cc(C[N@H+]2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)nn1 ZINC000856813802 1007987688 /nfs/dbraw/zinc/98/76/88/1007987688.db2.gz OJGYWGXOJIVORJ-DNVCBOLYSA-N 1 2 361.490 2.733 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)nn1 ZINC000856813802 1007987693 /nfs/dbraw/zinc/98/76/93/1007987693.db2.gz OJGYWGXOJIVORJ-DNVCBOLYSA-N 1 2 361.490 2.733 20 30 FFEDLO Cc1cc(N2CCN(C(=O)c3cc(C#N)ccc3F)CC2)nc(C(C)C)[nH+]1 ZINC000820024412 1008269026 /nfs/dbraw/zinc/26/90/26/1008269026.db2.gz WSZLGVLUOVZCDF-UHFFFAOYSA-N 1 2 367.428 2.882 20 30 FFEDLO C#CC[C@@H](CCOC)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000859018929 1008465530 /nfs/dbraw/zinc/46/55/30/1008465530.db2.gz GIRFFZPRGAZHFM-IRXDYDNUSA-N 1 2 358.486 2.537 20 30 FFEDLO Cc1nscc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001095336303 1008632685 /nfs/dbraw/zinc/63/26/85/1008632685.db2.gz VHSOZOWXGNXKKY-NEWSRXKRSA-N 1 2 369.465 2.977 20 30 FFEDLO Cc1nscc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001095336303 1008632690 /nfs/dbraw/zinc/63/26/90/1008632690.db2.gz VHSOZOWXGNXKKY-NEWSRXKRSA-N 1 2 369.465 2.977 20 30 FFEDLO C#C[C@@H](CCC)NC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000773730686 1008917904 /nfs/dbraw/zinc/91/79/04/1008917904.db2.gz OSSSQKYNLUGLMV-INIZCTEOSA-N 1 2 364.449 2.743 20 30 FFEDLO C#CC[C@H](CC(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C)c1ccccc1 ZINC001090736461 1009259951 /nfs/dbraw/zinc/25/99/51/1009259951.db2.gz MASVFIVEWCYBOZ-NSISKUIASA-N 1 2 362.477 2.923 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc(C(C)C)no2)C[C@H]1C ZINC001206782190 1032421614 /nfs/dbraw/zinc/42/16/14/1032421614.db2.gz JLYHWUJGDHYOER-OWCLPIDISA-N 1 2 364.490 2.673 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc(C(C)C)no2)C[C@H]1C ZINC001206782190 1032421628 /nfs/dbraw/zinc/42/16/28/1032421628.db2.gz JLYHWUJGDHYOER-OWCLPIDISA-N 1 2 364.490 2.673 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001206778979 1032421955 /nfs/dbraw/zinc/42/19/55/1032421955.db2.gz SNSYKFJQULPNPB-TZMCWYRMSA-N 1 2 357.907 2.716 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001206778979 1032421960 /nfs/dbraw/zinc/42/19/60/1032421960.db2.gz SNSYKFJQULPNPB-TZMCWYRMSA-N 1 2 357.907 2.716 20 30 FFEDLO CCCC[C@H](CNc1ccc(C#N)cn1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001114330807 1010134914 /nfs/dbraw/zinc/13/49/14/1010134914.db2.gz GWTSDQYXBUVNKY-BZUAXINKSA-N 1 2 352.442 2.567 20 30 FFEDLO CCCC[C@H](CNc1ccc(C#N)cn1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001114330807 1010134924 /nfs/dbraw/zinc/13/49/24/1010134924.db2.gz GWTSDQYXBUVNKY-BZUAXINKSA-N 1 2 352.442 2.567 20 30 FFEDLO N#Cc1c(F)cccc1C[N@@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000794553735 1010301720 /nfs/dbraw/zinc/30/17/20/1010301720.db2.gz NYCOKOQHWVOFFG-JKSUJKDBSA-N 1 2 361.417 2.567 20 30 FFEDLO N#Cc1c(F)cccc1C[N@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000794553735 1010301732 /nfs/dbraw/zinc/30/17/32/1010301732.db2.gz NYCOKOQHWVOFFG-JKSUJKDBSA-N 1 2 361.417 2.567 20 30 FFEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCO[C@H]3C(=C)C)CC2)C1 ZINC001093581508 1010347670 /nfs/dbraw/zinc/34/76/70/1010347670.db2.gz NGYFGEVLOIYAJB-PMACEKPBSA-N 1 2 362.514 2.626 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(C)nc3ccccc31)C2 ZINC001095405231 1010453341 /nfs/dbraw/zinc/45/33/41/1010453341.db2.gz OXNCYZSAUKFOAV-HFTRVMKXSA-N 1 2 358.873 2.819 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(C)nc3ccccc31)C2 ZINC001095405231 1010453347 /nfs/dbraw/zinc/45/33/47/1010453347.db2.gz OXNCYZSAUKFOAV-HFTRVMKXSA-N 1 2 358.873 2.819 20 30 FFEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001093785204 1010558401 /nfs/dbraw/zinc/55/84/01/1010558401.db2.gz QSMKSNSQQBERNK-DFBGVHRSSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001093785204 1010558408 /nfs/dbraw/zinc/55/84/08/1010558408.db2.gz QSMKSNSQQBERNK-DFBGVHRSSA-N 1 2 357.351 2.643 20 30 FFEDLO CC(C)n1nccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001097138539 1017095012 /nfs/dbraw/zinc/09/50/12/1017095012.db2.gz MQQQSVMAYJWLLF-AQNXPRMDSA-N 1 2 362.477 2.851 20 30 FFEDLO CC(C)n1nccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001097138539 1017095028 /nfs/dbraw/zinc/09/50/28/1017095028.db2.gz MQQQSVMAYJWLLF-AQNXPRMDSA-N 1 2 362.477 2.851 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(F)cc3)o2)C[C@H]1C ZINC001206911326 1032493183 /nfs/dbraw/zinc/49/31/83/1032493183.db2.gz KPEVGGNLVDMZDQ-RHSMWYFYSA-N 1 2 370.428 2.616 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3ccc(F)cc3)o2)C[C@H]1C ZINC001206911326 1032493186 /nfs/dbraw/zinc/49/31/86/1032493186.db2.gz KPEVGGNLVDMZDQ-RHSMWYFYSA-N 1 2 370.428 2.616 20 30 FFEDLO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cccc(C#N)c1O ZINC000866370062 1010984696 /nfs/dbraw/zinc/98/46/96/1010984696.db2.gz RFICRDPPGRWAJH-UKRRQHHQSA-N 1 2 361.442 2.550 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cnn(C2CCC2)c1 ZINC001095411742 1011252262 /nfs/dbraw/zinc/25/22/62/1011252262.db2.gz JEUISOLVIDBRGO-FSSWDIPSSA-N 1 2 374.488 2.995 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cnn(C2CCC2)c1 ZINC001095411742 1011252275 /nfs/dbraw/zinc/25/22/75/1011252275.db2.gz JEUISOLVIDBRGO-FSSWDIPSSA-N 1 2 374.488 2.995 20 30 FFEDLO CCCCCC#CC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1ccc[nH]1)CCO2 ZINC001274439785 1011444451 /nfs/dbraw/zinc/44/44/51/1011444451.db2.gz WUMFIIKELDQJMN-NRFANRHFSA-N 1 2 357.498 2.792 20 30 FFEDLO CCCCCC#CC(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1ccc[nH]1)CCO2 ZINC001274439785 1011444455 /nfs/dbraw/zinc/44/44/55/1011444455.db2.gz WUMFIIKELDQJMN-NRFANRHFSA-N 1 2 357.498 2.792 20 30 FFEDLO C#CCCCCCCCCC(=O)N1CC[C@H]2C[N@@H+](COCCOC)C[C@H]21 ZINC001274796418 1011657055 /nfs/dbraw/zinc/65/70/55/1011657055.db2.gz SDEZVDZJQKRQHG-VQTJNVASSA-N 1 2 364.530 2.894 20 30 FFEDLO C#CCCCCCCCCC(=O)N1CC[C@H]2C[N@H+](COCCOC)C[C@H]21 ZINC001274796418 1011657064 /nfs/dbraw/zinc/65/70/64/1011657064.db2.gz SDEZVDZJQKRQHG-VQTJNVASSA-N 1 2 364.530 2.894 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172713582 1011991250 /nfs/dbraw/zinc/99/12/50/1011991250.db2.gz IKFKNVHHAQTYAJ-AEFFLSMTSA-N 1 2 358.873 2.738 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172713582 1011991257 /nfs/dbraw/zinc/99/12/57/1011991257.db2.gz IKFKNVHHAQTYAJ-AEFFLSMTSA-N 1 2 358.873 2.738 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)OCC1=O ZINC001275201613 1012074418 /nfs/dbraw/zinc/07/44/18/1012074418.db2.gz HBXJOFWLZXVFLA-KRWDZBQOSA-N 1 2 355.265 2.983 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3Cl)C2)OCC1=O ZINC001275201613 1012074430 /nfs/dbraw/zinc/07/44/30/1012074430.db2.gz HBXJOFWLZXVFLA-KRWDZBQOSA-N 1 2 355.265 2.983 20 30 FFEDLO N#Cc1cccc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)c1 ZINC001217056980 1032598491 /nfs/dbraw/zinc/59/84/91/1032598491.db2.gz YQUWWTIWXRTZPL-UHFFFAOYSA-N 1 2 362.389 2.813 20 30 FFEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@]23CCN(Cc2cnoc2)C3=O)c1 ZINC001275234676 1012121793 /nfs/dbraw/zinc/12/17/93/1012121793.db2.gz QZDFYOCLCLUYOX-IBGZPJMESA-N 1 2 370.840 2.967 20 30 FFEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCC[C@@]23CCN(Cc2cnoc2)C3=O)c1 ZINC001275234676 1012121802 /nfs/dbraw/zinc/12/18/02/1012121802.db2.gz QZDFYOCLCLUYOX-IBGZPJMESA-N 1 2 370.840 2.967 20 30 FFEDLO COc1cccc([C@H]2CN(C(=O)c3cc(F)c(C#N)c(F)c3)CC[NH2+]2)c1 ZINC000870154120 1012216912 /nfs/dbraw/zinc/21/69/12/1012216912.db2.gz YVOGXCMFSJXCGI-GOSISDBHSA-N 1 2 357.360 2.632 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cccnc2)C3)ccc1F ZINC001095098293 1012411625 /nfs/dbraw/zinc/41/16/25/1012411625.db2.gz BRGQLUDFVLFYKT-NEWSRXKRSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cccnc2)C3)ccc1F ZINC001095098293 1012411637 /nfs/dbraw/zinc/41/16/37/1012411637.db2.gz BRGQLUDFVLFYKT-NEWSRXKRSA-N 1 2 350.397 2.628 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1cccc3[nH]cc(Cl)c31)C2 ZINC001275423131 1012448487 /nfs/dbraw/zinc/44/84/87/1012448487.db2.gz ISMCQWUKDQVIJR-UHFFFAOYSA-N 1 2 359.857 2.811 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccco1)C2 ZINC001095114342 1012461613 /nfs/dbraw/zinc/46/16/13/1012461613.db2.gz XSDXXGALCRYEEB-IKGGRYGDSA-N 1 2 351.406 2.695 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccco1)C2 ZINC001095114342 1012461621 /nfs/dbraw/zinc/46/16/21/1012461621.db2.gz XSDXXGALCRYEEB-IKGGRYGDSA-N 1 2 351.406 2.695 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC001095149402 1012558236 /nfs/dbraw/zinc/55/82/36/1012558236.db2.gz SIWOIVASFMETLW-XWSJACJDSA-N 1 2 358.869 2.592 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC001095149402 1012558254 /nfs/dbraw/zinc/55/82/54/1012558254.db2.gz SIWOIVASFMETLW-XWSJACJDSA-N 1 2 358.869 2.592 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2O)C3)cc1F ZINC001095189063 1012676074 /nfs/dbraw/zinc/67/60/74/1012676074.db2.gz VGLGCCDFGVYNQQ-MNEFBYGVSA-N 1 2 365.408 2.938 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2O)C3)cc1F ZINC001095189063 1012676081 /nfs/dbraw/zinc/67/60/81/1012676081.db2.gz VGLGCCDFGVYNQQ-MNEFBYGVSA-N 1 2 365.408 2.938 20 30 FFEDLO Cc1[nH]nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)c1C ZINC001095245978 1012781831 /nfs/dbraw/zinc/78/18/31/1012781831.db2.gz XCZXJXQWAONTCO-NJAFHUGGSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1[nH]nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)c1C ZINC001095245978 1012781847 /nfs/dbraw/zinc/78/18/47/1012781847.db2.gz XCZXJXQWAONTCO-NJAFHUGGSA-N 1 2 367.428 2.573 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cscn2)C3)cc1F ZINC001095235398 1012805262 /nfs/dbraw/zinc/80/52/62/1012805262.db2.gz SWPKNUFVNDJCLR-KMFMINBZSA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cscn2)C3)cc1F ZINC001095235398 1012805282 /nfs/dbraw/zinc/80/52/82/1012805282.db2.gz SWPKNUFVNDJCLR-KMFMINBZSA-N 1 2 356.426 2.689 20 30 FFEDLO CCOC(=O)[C@H](CS)[NH2+]C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173673949 1012867893 /nfs/dbraw/zinc/86/78/93/1012867893.db2.gz VVMCWAUJBQODLT-BZPMIXESSA-N 1 2 360.520 2.614 20 30 FFEDLO N#Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2nccs2)c1 ZINC001275722467 1012923571 /nfs/dbraw/zinc/92/35/71/1012923571.db2.gz PVDCTSOVKJBFBG-IAGOWNOFSA-N 1 2 352.463 2.780 20 30 FFEDLO N#Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2nccs2)c1 ZINC001275722467 1012923585 /nfs/dbraw/zinc/92/35/85/1012923585.db2.gz PVDCTSOVKJBFBG-IAGOWNOFSA-N 1 2 352.463 2.780 20 30 FFEDLO Cc1ccncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001095264164 1013006211 /nfs/dbraw/zinc/00/62/11/1013006211.db2.gz AMDUUPZQLACYOH-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1ccncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001095264164 1013006226 /nfs/dbraw/zinc/00/62/26/1013006226.db2.gz AMDUUPZQLACYOH-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1nc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC#Cc4ccccc4)[C@@H]3C2)oc1C ZINC001222038520 1032685881 /nfs/dbraw/zinc/68/58/81/1032685881.db2.gz FHPXIDWNWJUCKY-WOJBJXKFSA-N 1 2 363.461 2.766 20 30 FFEDLO Cc1nc(C[N@H+]2CC[C@@H]3CN(C(=O)CC#Cc4ccccc4)[C@@H]3C2)oc1C ZINC001222038520 1032685887 /nfs/dbraw/zinc/68/58/87/1032685887.db2.gz FHPXIDWNWJUCKY-WOJBJXKFSA-N 1 2 363.461 2.766 20 30 FFEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001051195894 1017252141 /nfs/dbraw/zinc/25/21/41/1017252141.db2.gz XLUNNXNXNOANOV-QLFBSQMISA-N 1 2 368.399 2.601 20 30 FFEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001051195894 1017252151 /nfs/dbraw/zinc/25/21/51/1017252151.db2.gz XLUNNXNXNOANOV-QLFBSQMISA-N 1 2 368.399 2.601 20 30 FFEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)C2)CC1 ZINC001052122240 1017325926 /nfs/dbraw/zinc/32/59/26/1017325926.db2.gz PRGZJTTTWAYNDS-QHAWAJNXSA-N 1 2 371.500 2.724 20 30 FFEDLO N#Cc1c(F)cccc1NC1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001052137133 1017328522 /nfs/dbraw/zinc/32/85/22/1017328522.db2.gz XEXCKAUYPGTPDK-NWINJMCUSA-N 1 2 353.401 2.531 20 30 FFEDLO N#Cc1c(F)cccc1NC1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001052137133 1017328536 /nfs/dbraw/zinc/32/85/36/1017328536.db2.gz XEXCKAUYPGTPDK-NWINJMCUSA-N 1 2 353.401 2.531 20 30 FFEDLO N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC001217319216 1032691731 /nfs/dbraw/zinc/69/17/31/1032691731.db2.gz WLRUGQARFSSRSP-UHFFFAOYSA-N 1 2 364.384 2.699 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3[nH]ccc3n1)C2 ZINC001097533789 1017575106 /nfs/dbraw/zinc/57/51/06/1017575106.db2.gz ANXVOZHHXYIGJR-HBGVWJBISA-N 1 2 371.444 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3[nH]ccc3n1)C2 ZINC001097533789 1017575118 /nfs/dbraw/zinc/57/51/18/1017575118.db2.gz ANXVOZHHXYIGJR-HBGVWJBISA-N 1 2 371.444 2.970 20 30 FFEDLO Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nc2)c(C)[nH+]1 ZINC001055485945 1017588184 /nfs/dbraw/zinc/58/81/84/1017588184.db2.gz NVUPRMPOXUNISP-QRQLOZEOSA-N 1 2 361.449 2.813 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c(C)csc3n1)C2 ZINC001097634342 1017734377 /nfs/dbraw/zinc/73/43/77/1017734377.db2.gz IOVWGGGCTHKOKX-KFWWJZLASA-N 1 2 364.902 2.721 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c(C)csc3n1)C2 ZINC001097634342 1017734386 /nfs/dbraw/zinc/73/43/86/1017734386.db2.gz IOVWGGGCTHKOKX-KFWWJZLASA-N 1 2 364.902 2.721 20 30 FFEDLO Cc1cc(N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C(F)(F)F)nc(C(C)C)[nH+]1 ZINC001055607498 1017761829 /nfs/dbraw/zinc/76/18/29/1017761829.db2.gz RWGILZFRFISTDV-CYZMBNFOSA-N 1 2 369.391 2.869 20 30 FFEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000925590020 1017796107 /nfs/dbraw/zinc/79/61/07/1017796107.db2.gz MWKDTXMCRSRPCM-VAMGGRTRSA-N 1 2 370.497 2.579 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)cc3F)C[C@H]21 ZINC001222069052 1032732419 /nfs/dbraw/zinc/73/24/19/1032732419.db2.gz GVTCWBFSBWWMSE-DDUZABMNSA-N 1 2 350.409 2.589 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)cc3F)C[C@H]21 ZINC001222069052 1032732433 /nfs/dbraw/zinc/73/24/33/1032732433.db2.gz GVTCWBFSBWWMSE-DDUZABMNSA-N 1 2 350.409 2.589 20 30 FFEDLO Cc1c[nH+]c2cc(C(=O)N3CCN(c4ccc(F)cc4C#N)CC3)ccn12 ZINC000827409441 1017942509 /nfs/dbraw/zinc/94/25/09/1017942509.db2.gz WIARFEGVQGIBNL-UHFFFAOYSA-N 1 2 363.396 2.616 20 30 FFEDLO CCc1nocc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001097798835 1017943986 /nfs/dbraw/zinc/94/39/86/1017943986.db2.gz OLBMGTUAWXZRLH-ZMYBRWDISA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1nocc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001097798835 1017943996 /nfs/dbraw/zinc/94/39/96/1017943996.db2.gz OLBMGTUAWXZRLH-ZMYBRWDISA-N 1 2 368.412 2.783 20 30 FFEDLO Cc1nc(NCC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)c2c([nH+]1)CCCC2 ZINC001053315301 1018246741 /nfs/dbraw/zinc/24/67/41/1018246741.db2.gz YDVXJCSWJAHEJV-SQWLQELKSA-N 1 2 355.486 2.720 20 30 FFEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1)CCO2 ZINC001053464501 1018320706 /nfs/dbraw/zinc/32/07/06/1018320706.db2.gz QDOICYJYTLEIRS-VQTJNVASSA-N 1 2 354.494 2.896 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001053486798 1018332700 /nfs/dbraw/zinc/33/27/00/1018332700.db2.gz UWWPCZLDPDZTIU-HZPDHXFCSA-N 1 2 371.529 2.573 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001053486798 1018332707 /nfs/dbraw/zinc/33/27/07/1018332707.db2.gz UWWPCZLDPDZTIU-HZPDHXFCSA-N 1 2 371.529 2.573 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@@H+]([C@H](C)c3nc4ccccc4o3)C[C@@H]21 ZINC001217504131 1032760178 /nfs/dbraw/zinc/76/01/78/1032760178.db2.gz TVLPJGDLUDBQAR-UWWQBHOKSA-N 1 2 355.438 2.767 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@H+]([C@H](C)c3nc4ccccc4o3)C[C@@H]21 ZINC001217504131 1032760191 /nfs/dbraw/zinc/76/01/91/1032760191.db2.gz TVLPJGDLUDBQAR-UWWQBHOKSA-N 1 2 355.438 2.767 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)O2 ZINC001053702712 1018416890 /nfs/dbraw/zinc/41/68/90/1018416890.db2.gz BNUZMMVZOWLEQA-GBESFXJTSA-N 1 2 358.457 2.855 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000682078815 1018683961 /nfs/dbraw/zinc/68/39/61/1018683961.db2.gz MFMOCEAPEJHMOC-NRFANRHFSA-N 1 2 360.498 2.877 20 30 FFEDLO CC(C)(C)/C=C\C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001217566511 1032784818 /nfs/dbraw/zinc/78/48/18/1032784818.db2.gz UWWLAAFNFVZLEX-RKXFTREYSA-N 1 2 370.468 2.691 20 30 FFEDLO CC(C)(C)/C=C\C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001217566511 1032784830 /nfs/dbraw/zinc/78/48/30/1032784830.db2.gz UWWLAAFNFVZLEX-RKXFTREYSA-N 1 2 370.468 2.691 20 30 FFEDLO CCn1cncc1/C=C1\CN(C(C)C)C/C(=C\c2c[nH+]cn2CC)C1=O ZINC000901415917 1019059014 /nfs/dbraw/zinc/05/90/14/1019059014.db2.gz CGCXRHPSBBOJBH-GDWCLCACSA-N 1 2 353.470 2.880 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2ccco2)C3)c1 ZINC001098078910 1019339269 /nfs/dbraw/zinc/33/92/69/1019339269.db2.gz UBLJSRMOHUDIDU-LZQZEXGQSA-N 1 2 353.397 2.755 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2ccco2)C3)c1 ZINC001098078910 1019339284 /nfs/dbraw/zinc/33/92/84/1019339284.db2.gz UBLJSRMOHUDIDU-LZQZEXGQSA-N 1 2 353.397 2.755 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCCCC1 ZINC001110966867 1019381300 /nfs/dbraw/zinc/38/13/00/1019381300.db2.gz IULOECRXRVJYMQ-QRVBRYPASA-N 1 2 361.530 2.761 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCCCC1 ZINC001110966867 1019381317 /nfs/dbraw/zinc/38/13/17/1019381317.db2.gz IULOECRXRVJYMQ-QRVBRYPASA-N 1 2 361.530 2.761 20 30 FFEDLO Cc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001095943642 1019439861 /nfs/dbraw/zinc/43/98/61/1019439861.db2.gz DCPONEORZLONHT-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001095943642 1019439865 /nfs/dbraw/zinc/43/98/65/1019439865.db2.gz DCPONEORZLONHT-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)o1 ZINC001096230913 1019508272 /nfs/dbraw/zinc/50/82/72/1019508272.db2.gz JALNFWWXOLKBOK-SQNIBIBYSA-N 1 2 350.418 2.675 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)o1 ZINC001096230913 1019508279 /nfs/dbraw/zinc/50/82/79/1019508279.db2.gz JALNFWWXOLKBOK-SQNIBIBYSA-N 1 2 350.418 2.675 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nonc3c1)C2 ZINC001095957438 1019580501 /nfs/dbraw/zinc/58/05/01/1019580501.db2.gz VTAJVRFQLTVCGA-UXPWSPDFSA-N 1 2 373.416 2.630 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nonc3c1)C2 ZINC001095957438 1019580512 /nfs/dbraw/zinc/58/05/12/1019580512.db2.gz VTAJVRFQLTVCGA-UXPWSPDFSA-N 1 2 373.416 2.630 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](Cc2ccc(C)c(OC)c2)C1 ZINC001044037157 1019641225 /nfs/dbraw/zinc/64/12/25/1019641225.db2.gz CMMOEJCHOLZKRX-ICSRJNTNSA-N 1 2 358.482 2.627 20 30 FFEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc3cc(Cl)ccc3o2)[C@@H](n2ccnn2)C1 ZINC001069973093 1019698056 /nfs/dbraw/zinc/69/80/56/1019698056.db2.gz LSDLMCYYKBDZCA-CABCVRRESA-N 1 2 371.828 2.519 20 30 FFEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc3cc(Cl)ccc3o2)[C@@H](n2ccnn2)C1 ZINC001069973093 1019698063 /nfs/dbraw/zinc/69/80/63/1019698063.db2.gz LSDLMCYYKBDZCA-CABCVRRESA-N 1 2 371.828 2.519 20 30 FFEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2cncc(C#N)c2)CCN1Cc1cncc(C#N)c1 ZINC000930079754 1019863514 /nfs/dbraw/zinc/86/35/14/1019863514.db2.gz IOIVTDCQNZAYML-VGSWGCGISA-N 1 2 374.492 2.952 20 30 FFEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)CCN1Cc1cncc(C#N)c1 ZINC000930079754 1019863521 /nfs/dbraw/zinc/86/35/21/1019863521.db2.gz IOIVTDCQNZAYML-VGSWGCGISA-N 1 2 374.492 2.952 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001110989475 1020022563 /nfs/dbraw/zinc/02/25/63/1020022563.db2.gz MXPLBICXVIPHLN-IWQHBPENSA-N 1 2 369.509 2.973 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001110989475 1020022573 /nfs/dbraw/zinc/02/25/73/1020022573.db2.gz MXPLBICXVIPHLN-IWQHBPENSA-N 1 2 369.509 2.973 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1 ZINC001110989699 1020022883 /nfs/dbraw/zinc/02/28/83/1020022883.db2.gz SMEXIBZZMHSKCE-IWQHBPENSA-N 1 2 369.509 2.627 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1 ZINC001110989699 1020022895 /nfs/dbraw/zinc/02/28/95/1020022895.db2.gz SMEXIBZZMHSKCE-IWQHBPENSA-N 1 2 369.509 2.627 20 30 FFEDLO COc1cc(C#N)ccc1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000930588425 1020093182 /nfs/dbraw/zinc/09/31/82/1020093182.db2.gz FAFGFPQRKKBNSA-UHFFFAOYSA-N 1 2 351.406 2.651 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001073123919 1020381262 /nfs/dbraw/zinc/38/12/62/1020381262.db2.gz PCRUIURBJNUDHY-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001073123919 1020381273 /nfs/dbraw/zinc/38/12/73/1020381273.db2.gz PCRUIURBJNUDHY-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C#Cc1cccc(NC(=S)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000726448448 1020466361 /nfs/dbraw/zinc/46/63/61/1020466361.db2.gz ZAVTVDQOFXSPCR-FQEVSTJZSA-N 1 2 365.502 2.855 20 30 FFEDLO C#Cc1cccc(NC(=S)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000726448448 1020466364 /nfs/dbraw/zinc/46/63/64/1020466364.db2.gz ZAVTVDQOFXSPCR-FQEVSTJZSA-N 1 2 365.502 2.855 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2Cc3c[nH]nc3[C@H](C)C2)cc1 ZINC000931460043 1020477331 /nfs/dbraw/zinc/47/73/31/1020477331.db2.gz VBCOLNPGHKAOGJ-HZPDHXFCSA-N 1 2 351.454 2.973 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2Cc3c[nH]nc3[C@H](C)C2)cc1 ZINC000931460043 1020477334 /nfs/dbraw/zinc/47/73/34/1020477334.db2.gz VBCOLNPGHKAOGJ-HZPDHXFCSA-N 1 2 351.454 2.973 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC=C)CC1 ZINC000800772278 1020537763 /nfs/dbraw/zinc/53/77/63/1020537763.db2.gz WKCLMDHUQSUEQO-UHFFFAOYSA-N 1 2 367.522 2.820 20 30 FFEDLO C/C(=C/C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)C[NH+]1CCOCC1 ZINC000900643983 1020561133 /nfs/dbraw/zinc/56/11/33/1020561133.db2.gz PZBLHSPLERYFCF-RCBBPTIPSA-N 1 2 367.371 2.665 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046389465 1020626313 /nfs/dbraw/zinc/62/63/13/1020626313.db2.gz KASNRYCIUYCBDB-WNYOCNMUSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046389465 1020626316 /nfs/dbraw/zinc/62/63/16/1020626316.db2.gz KASNRYCIUYCBDB-WNYOCNMUSA-N 1 2 359.445 2.593 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)OCC)C[C@@H]21 ZINC001222365227 1032914257 /nfs/dbraw/zinc/91/42/57/1032914257.db2.gz LLGRDKZMBWZNSK-QLFBSQMISA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)OCC)C[C@@H]21 ZINC001222365227 1032914264 /nfs/dbraw/zinc/91/42/64/1032914264.db2.gz LLGRDKZMBWZNSK-QLFBSQMISA-N 1 2 359.308 2.633 20 30 FFEDLO CCc1nc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096449816 1020639444 /nfs/dbraw/zinc/63/94/44/1020639444.db2.gz ZSNHJACJLGBNLX-JLSDUUJJSA-N 1 2 367.428 2.518 20 30 FFEDLO CCc1nc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096449816 1020639447 /nfs/dbraw/zinc/63/94/47/1020639447.db2.gz ZSNHJACJLGBNLX-JLSDUUJJSA-N 1 2 367.428 2.518 20 30 FFEDLO C[C@]1(NC(=O)[C@@H]2CCO[C@H]2C2CC2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046504861 1020671402 /nfs/dbraw/zinc/67/14/02/1020671402.db2.gz LRSZOWYJGYWPKS-DYXWJJEUSA-N 1 2 371.456 2.593 20 30 FFEDLO C[C@]1(NC(=O)[C@@H]2CCO[C@H]2C2CC2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046504861 1020671404 /nfs/dbraw/zinc/67/14/04/1020671404.db2.gz LRSZOWYJGYWPKS-DYXWJJEUSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(C3CC3)nc1)C2 ZINC001096112803 1020709958 /nfs/dbraw/zinc/70/99/58/1020709958.db2.gz CSGCNPBOPJWLPC-AABGKKOBSA-N 1 2 373.460 2.761 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(C3CC3)nc1)C2 ZINC001096112803 1020709967 /nfs/dbraw/zinc/70/99/67/1020709967.db2.gz CSGCNPBOPJWLPC-AABGKKOBSA-N 1 2 373.460 2.761 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)OCC3CC3)C[C@@H]21 ZINC001222397418 1032938488 /nfs/dbraw/zinc/93/84/88/1032938488.db2.gz AKXHPPGUDGBBNB-IMJJTQAJSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)OCC3CC3)C[C@@H]21 ZINC001222397418 1032938499 /nfs/dbraw/zinc/93/84/99/1032938499.db2.gz AKXHPPGUDGBBNB-IMJJTQAJSA-N 1 2 371.319 2.633 20 30 FFEDLO CCCCCCN(CC[NH+]1CCOCC1)C(=O)Cc1cccc(C#N)c1 ZINC000749354864 1020947805 /nfs/dbraw/zinc/94/78/05/1020947805.db2.gz KAGYXPCQZJFYHW-UHFFFAOYSA-N 1 2 357.498 2.842 20 30 FFEDLO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000933776739 1021088141 /nfs/dbraw/zinc/08/81/41/1021088141.db2.gz LQFKWDQNSZIYPV-ZDUSSCGKSA-N 1 2 371.462 2.543 20 30 FFEDLO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000933776739 1021088147 /nfs/dbraw/zinc/08/81/47/1021088147.db2.gz LQFKWDQNSZIYPV-ZDUSSCGKSA-N 1 2 371.462 2.543 20 30 FFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc3ccccc3n2CC#N)C1 ZINC001116295985 1021157202 /nfs/dbraw/zinc/15/72/02/1021157202.db2.gz OTINPLIWJVTLAR-MRXNPFEDSA-N 1 2 361.449 2.993 20 30 FFEDLO C#CCOCC[N@@H+](C)Cc1nnc(-c2ccc(Br)s2)o1 ZINC001116401826 1021198692 /nfs/dbraw/zinc/19/86/92/1021198692.db2.gz PUPXEDKIGRVTQC-UHFFFAOYSA-N 1 2 356.245 2.642 20 30 FFEDLO C#CCOCC[N@H+](C)Cc1nnc(-c2ccc(Br)s2)o1 ZINC001116401826 1021198698 /nfs/dbraw/zinc/19/86/98/1021198698.db2.gz PUPXEDKIGRVTQC-UHFFFAOYSA-N 1 2 356.245 2.642 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc([C@@H](C)OCC)no3)[C@H]2C1 ZINC001222432198 1032967795 /nfs/dbraw/zinc/96/77/95/1032967795.db2.gz HYABAMPAWNBJRC-OAGGEKHMSA-N 1 2 362.474 2.556 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc([C@@H](C)OCC)no3)[C@H]2C1 ZINC001222432198 1032967804 /nfs/dbraw/zinc/96/78/04/1032967804.db2.gz HYABAMPAWNBJRC-OAGGEKHMSA-N 1 2 362.474 2.556 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2occ3c2CCOC3)C1 ZINC001098961499 1021484933 /nfs/dbraw/zinc/48/49/33/1021484933.db2.gz OFJCOLCQXHRHBJ-KSSFIOAISA-N 1 2 350.846 2.689 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2occ3c2CCOC3)C1 ZINC001098961499 1021484935 /nfs/dbraw/zinc/48/49/35/1021484935.db2.gz OFJCOLCQXHRHBJ-KSSFIOAISA-N 1 2 350.846 2.689 20 30 FFEDLO C[C@H](O[NH+]=C(N)c1ccc(OCc2ccccc2)cc1)C(=O)NC1CC1 ZINC000113249450 1021891198 /nfs/dbraw/zinc/89/11/98/1021891198.db2.gz HMHFOJJNCIIAFB-AWEZNQCLSA-N 1 2 353.422 2.570 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC001015727081 1021946179 /nfs/dbraw/zinc/94/61/79/1021946179.db2.gz VFYQYDZMLBKLCS-QRQLOZEOSA-N 1 2 367.449 2.623 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC001015727081 1021946184 /nfs/dbraw/zinc/94/61/84/1021946184.db2.gz VFYQYDZMLBKLCS-QRQLOZEOSA-N 1 2 367.449 2.623 20 30 FFEDLO CS[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001099216227 1022103460 /nfs/dbraw/zinc/10/34/60/1022103460.db2.gz AZTTUXCNKKMEGK-NILFDRSVSA-N 1 2 371.428 2.789 20 30 FFEDLO C[C@@H]1C[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001099291164 1022235560 /nfs/dbraw/zinc/23/55/60/1022235560.db2.gz KUXQGHZDXFYKLD-RAEVTNRLSA-N 1 2 351.372 2.693 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cccc2)C3)c1 ZINC001111184187 1022273093 /nfs/dbraw/zinc/27/30/93/1022273093.db2.gz RUJBHIIQHHLSLW-RLLQIKCJSA-N 1 2 366.440 2.811 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cccc2)C3)c1 ZINC001111184187 1022273106 /nfs/dbraw/zinc/27/31/06/1022273106.db2.gz RUJBHIIQHHLSLW-RLLQIKCJSA-N 1 2 366.440 2.811 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001222547342 1033045029 /nfs/dbraw/zinc/04/50/29/1033045029.db2.gz MJSWXQQJTUUSAT-MJGOQNOKSA-N 1 2 369.513 2.538 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001222547342 1033045043 /nfs/dbraw/zinc/04/50/43/1033045043.db2.gz MJSWXQQJTUUSAT-MJGOQNOKSA-N 1 2 369.513 2.538 20 30 FFEDLO N#Cc1ccccc1N1CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000778803636 1022389898 /nfs/dbraw/zinc/38/98/98/1022389898.db2.gz QFUWDPXSPGBNMD-UHFFFAOYSA-N 1 2 372.432 2.538 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3ccsc31)C2 ZINC001111224599 1022479164 /nfs/dbraw/zinc/47/91/64/1022479164.db2.gz RXHUWYOVIIMHAE-OIISXLGYSA-N 1 2 369.490 2.539 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3ccsc31)C2 ZINC001111224599 1022479173 /nfs/dbraw/zinc/47/91/73/1022479173.db2.gz RXHUWYOVIIMHAE-OIISXLGYSA-N 1 2 369.490 2.539 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)nc(CC)nc1C)C2 ZINC001095781194 1022831962 /nfs/dbraw/zinc/83/19/62/1022831962.db2.gz PJJHAUKPLWVRAG-PVAVHDDUSA-N 1 2 362.905 2.672 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)nc(CC)nc1C)C2 ZINC001095781194 1022831978 /nfs/dbraw/zinc/83/19/78/1022831978.db2.gz PJJHAUKPLWVRAG-PVAVHDDUSA-N 1 2 362.905 2.672 20 30 FFEDLO Cc1cc(C#N)cc(C)c1CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001119563688 1022861930 /nfs/dbraw/zinc/86/19/30/1022861930.db2.gz LSAUJJIGQIRBFW-KRWDZBQOSA-N 1 2 350.466 2.932 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000752654809 1023183900 /nfs/dbraw/zinc/18/39/00/1023183900.db2.gz PVHUNNLTACZNQD-UHFFFAOYSA-N 1 2 351.366 2.875 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@@H]3CCCC[C@@H]3C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001122396100 1023241788 /nfs/dbraw/zinc/24/17/88/1023241788.db2.gz WXNFAUBAOKYFHP-OOSNJVJTSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@@H]3CCCC[C@@H]3C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001122396100 1023241798 /nfs/dbraw/zinc/24/17/98/1023241798.db2.gz WXNFAUBAOKYFHP-OOSNJVJTSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@@H]1C[C@@H](OC)C12CCC2 ZINC001122490334 1023302020 /nfs/dbraw/zinc/30/20/20/1023302020.db2.gz KBAYTIHWEGRLEE-HZPDHXFCSA-N 1 2 370.501 2.572 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001122523857 1023317428 /nfs/dbraw/zinc/31/74/28/1023317428.db2.gz OMGFRIGRQXROOJ-NVXWUHKLSA-N 1 2 363.469 2.957 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](OCC)C1 ZINC001122529613 1023321575 /nfs/dbraw/zinc/32/15/75/1023321575.db2.gz IRTCWVULLGJZHY-SFHVURJKSA-N 1 2 372.517 2.562 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000829366574 1033124089 /nfs/dbraw/zinc/12/40/89/1033124089.db2.gz OICQOTMQWZGXCB-TZIWHRDSSA-N 1 2 350.418 2.538 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000829366574 1033124098 /nfs/dbraw/zinc/12/40/98/1033124098.db2.gz OICQOTMQWZGXCB-TZIWHRDSSA-N 1 2 350.418 2.538 20 30 FFEDLO C#CC1CCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2CCCOCC)CC1 ZINC001122574899 1023347296 /nfs/dbraw/zinc/34/72/96/1023347296.db2.gz GLSINKXIGUHKFR-GOSISDBHSA-N 1 2 359.518 2.711 20 30 FFEDLO C#CC1CCN(c2nnc([C@H]3CCCC[N@H+]3C)n2CCCOCC)CC1 ZINC001122574899 1023347303 /nfs/dbraw/zinc/34/73/03/1023347303.db2.gz GLSINKXIGUHKFR-GOSISDBHSA-N 1 2 359.518 2.711 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001122623100 1023375332 /nfs/dbraw/zinc/37/53/32/1023375332.db2.gz PZEWVQGGYFLTSG-KURKYZTESA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001122623100 1023375338 /nfs/dbraw/zinc/37/53/38/1023375338.db2.gz PZEWVQGGYFLTSG-KURKYZTESA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001122629582 1023378476 /nfs/dbraw/zinc/37/84/76/1023378476.db2.gz MKFBASZWEMMKAT-FGTMMUONSA-N 1 2 359.518 2.872 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001122629582 1023378485 /nfs/dbraw/zinc/37/84/85/1023378485.db2.gz MKFBASZWEMMKAT-FGTMMUONSA-N 1 2 359.518 2.872 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CCNc1cc[nH+]c(C)n1)Cc1ccccc1 ZINC001111283823 1023381926 /nfs/dbraw/zinc/38/19/26/1023381926.db2.gz PNQLFHQUUJUKIW-MOPGFXCFSA-N 1 2 366.465 2.817 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000755903108 1023648143 /nfs/dbraw/zinc/64/81/43/1023648143.db2.gz MYIHAZFVRBHCGS-UHFFFAOYSA-N 1 2 369.421 2.930 20 30 FFEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000756162070 1023676324 /nfs/dbraw/zinc/67/63/24/1023676324.db2.gz XNKXFNITVIYPKN-OAHLLOKOSA-N 1 2 373.844 2.578 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CCC4)n3C)[C@H]2C1 ZINC001222782122 1033159068 /nfs/dbraw/zinc/15/90/68/1033159068.db2.gz XUFLFHOYHIVPQE-AEFFLSMTSA-N 1 2 371.529 2.862 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CCC4)n3C)[C@H]2C1 ZINC001222782122 1033159074 /nfs/dbraw/zinc/15/90/74/1033159074.db2.gz XUFLFHOYHIVPQE-AEFFLSMTSA-N 1 2 371.529 2.862 20 30 FFEDLO C=CC[C@H]1N(c2nnc(C[NH+]3CCC(CO)CC3)n2C)CCCC1(C)C ZINC001121484584 1023803212 /nfs/dbraw/zinc/80/32/12/1023803212.db2.gz MDQVZZOFZIORPF-QGZVFWFLSA-N 1 2 361.534 2.591 20 30 FFEDLO C=CCn1c(CCCC#N)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001121520354 1023823242 /nfs/dbraw/zinc/82/32/42/1023823242.db2.gz CFVKCCWHODLJIN-UHFFFAOYSA-N 1 2 351.458 2.786 20 30 FFEDLO CC(C)=C(C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001218461887 1033166705 /nfs/dbraw/zinc/16/67/05/1033166705.db2.gz KHAVBGGAFFFKBB-VQTJNVASSA-N 1 2 371.456 2.855 20 30 FFEDLO CC(C)=C(C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001218461887 1033166713 /nfs/dbraw/zinc/16/67/13/1033166713.db2.gz KHAVBGGAFFFKBB-VQTJNVASSA-N 1 2 371.456 2.855 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)C[C@H]1CCCCO1 ZINC001121583967 1023863553 /nfs/dbraw/zinc/86/35/53/1023863553.db2.gz BPXTYFBATISIDX-GOSISDBHSA-N 1 2 372.517 2.562 20 30 FFEDLO N#CCC[NH+]1CCC(c2nnc(N3CC[C@@H]4C[C@@H]4C3)n2CC2CC2)CC1 ZINC001123633665 1023914251 /nfs/dbraw/zinc/91/42/51/1023914251.db2.gz XAUWBELTAJJOHZ-QZTJIDSGSA-N 1 2 354.502 2.627 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCc2cc(C)cc(C)c2C1 ZINC001121715236 1023941999 /nfs/dbraw/zinc/94/19/99/1023941999.db2.gz UVKXMDJNKZXPFK-UHFFFAOYSA-N 1 2 362.481 2.968 20 30 FFEDLO C=C/C(C)=C/CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001218490828 1033179062 /nfs/dbraw/zinc/17/90/62/1033179062.db2.gz WSECQIJHFKYLGA-DZEBSYJWSA-N 1 2 368.452 2.611 20 30 FFEDLO C=C/C(C)=C/CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001218490828 1033179075 /nfs/dbraw/zinc/17/90/75/1033179075.db2.gz WSECQIJHFKYLGA-DZEBSYJWSA-N 1 2 368.452 2.611 20 30 FFEDLO C=C/C(C)=C/CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001218488913 1033179229 /nfs/dbraw/zinc/17/92/29/1033179229.db2.gz PMRGISSIFKRANM-PFWBGPJVSA-N 1 2 369.440 2.631 20 30 FFEDLO C=C/C(C)=C/CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001218488913 1033179236 /nfs/dbraw/zinc/17/92/36/1033179236.db2.gz PMRGISSIFKRANM-PFWBGPJVSA-N 1 2 369.440 2.631 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)CCCC4CC4)[C@H]3C2)s1 ZINC001218498945 1033183670 /nfs/dbraw/zinc/18/36/70/1033183670.db2.gz WQWVVXWDEPNHJO-ZWKOTPCHSA-N 1 2 359.495 2.612 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)CCCC4CC4)[C@H]3C2)s1 ZINC001218498945 1033183678 /nfs/dbraw/zinc/18/36/78/1033183678.db2.gz WQWVVXWDEPNHJO-ZWKOTPCHSA-N 1 2 359.495 2.612 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CCCC4)no3)C[C@@]2(C)C1 ZINC001101229743 1024137634 /nfs/dbraw/zinc/13/76/34/1024137634.db2.gz KDIUQMXOOUNGDD-UTKZUKDTSA-N 1 2 370.497 2.667 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CCCC4)no3)C[C@@]2(C)C1 ZINC001101229743 1024137643 /nfs/dbraw/zinc/13/76/43/1024137643.db2.gz KDIUQMXOOUNGDD-UTKZUKDTSA-N 1 2 370.497 2.667 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)C)s3)C[C@@]2(C)C1 ZINC001101229699 1024138041 /nfs/dbraw/zinc/13/80/41/1024138041.db2.gz JHOUDAZVFMQWTK-BEFAXECRSA-N 1 2 360.527 2.601 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)C)s3)C[C@@]2(C)C1 ZINC001101229699 1024138046 /nfs/dbraw/zinc/13/80/46/1024138046.db2.gz JHOUDAZVFMQWTK-BEFAXECRSA-N 1 2 360.527 2.601 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3nc(CC(C)C)no3)C[C@@]2(C)C1 ZINC001101253348 1024205936 /nfs/dbraw/zinc/20/59/36/1024205936.db2.gz LIDNCAJCRBGECA-UZLBHIALSA-N 1 2 360.502 2.905 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](Cc3nc(CC(C)C)no3)C[C@@]2(C)C1 ZINC001101253348 1024205947 /nfs/dbraw/zinc/20/59/47/1024205947.db2.gz LIDNCAJCRBGECA-UZLBHIALSA-N 1 2 360.502 2.905 20 30 FFEDLO C#C[C@@H](NC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)C1CCOCC1 ZINC001121987214 1024238587 /nfs/dbraw/zinc/23/85/87/1024238587.db2.gz XRUIFLMCTIELRZ-ZWKOTPCHSA-N 1 2 372.513 2.956 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001101337499 1024486815 /nfs/dbraw/zinc/48/68/15/1024486815.db2.gz BNNFCFDUHDXHES-HLIPFELVSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001101337499 1024486820 /nfs/dbraw/zinc/48/68/20/1024486820.db2.gz BNNFCFDUHDXHES-HLIPFELVSA-N 1 2 359.518 2.742 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)C)n3C)C[C@@]2(C)C1 ZINC001101346653 1024512474 /nfs/dbraw/zinc/51/24/74/1024512474.db2.gz AIKCXYLVOUZTMY-UZLBHIALSA-N 1 2 359.518 2.575 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)C)n3C)C[C@@]2(C)C1 ZINC001101346653 1024512484 /nfs/dbraw/zinc/51/24/84/1024512484.db2.gz AIKCXYLVOUZTMY-UZLBHIALSA-N 1 2 359.518 2.575 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4cn(C(C)C)nn4)C[C@@]3(C)C2)CCC1 ZINC001101354860 1024532935 /nfs/dbraw/zinc/53/29/35/1024532935.db2.gz INTAIGBUAQSPLD-XLIONFOSSA-N 1 2 371.529 2.886 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4cn(C(C)C)nn4)C[C@@]3(C)C2)CCC1 ZINC001101354860 1024532941 /nfs/dbraw/zinc/53/29/41/1024532941.db2.gz INTAIGBUAQSPLD-XLIONFOSSA-N 1 2 371.529 2.886 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nc(CC)no4)C[C@@]3(C)C2)CCC1 ZINC001101355754 1024533998 /nfs/dbraw/zinc/53/39/98/1024533998.db2.gz CDFFCNKAEAYBKK-BEFAXECRSA-N 1 2 358.486 2.659 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nc(CC)no4)C[C@@]3(C)C2)CCC1 ZINC001101355754 1024534007 /nfs/dbraw/zinc/53/40/07/1024534007.db2.gz CDFFCNKAEAYBKK-BEFAXECRSA-N 1 2 358.486 2.659 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC000951700168 1024661865 /nfs/dbraw/zinc/66/18/65/1024661865.db2.gz SEILXTUOERLFGM-ICSRJNTNSA-N 1 2 358.482 2.629 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000952557019 1025062903 /nfs/dbraw/zinc/06/29/03/1025062903.db2.gz XUWCCNYCFMPLLW-YYIAUSFCSA-N 1 2 370.497 2.707 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000952557019 1025062915 /nfs/dbraw/zinc/06/29/15/1025062915.db2.gz XUWCCNYCFMPLLW-YYIAUSFCSA-N 1 2 370.497 2.707 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ncc(C)s2)cc1 ZINC001095854149 1025095722 /nfs/dbraw/zinc/09/57/22/1025095722.db2.gz OCMWFQYMABWWCE-SQNIBIBYSA-N 1 2 351.475 2.968 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ncc(C)s2)cc1 ZINC001095854149 1025095728 /nfs/dbraw/zinc/09/57/28/1025095728.db2.gz OCMWFQYMABWWCE-SQNIBIBYSA-N 1 2 351.475 2.968 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c(C)csc3n1)C2 ZINC001095860171 1025109286 /nfs/dbraw/zinc/10/92/86/1025109286.db2.gz IOVWGGGCTHKOKX-ILXRZTDVSA-N 1 2 364.902 2.721 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c(C)csc3n1)C2 ZINC001095860171 1025109291 /nfs/dbraw/zinc/10/92/91/1025109291.db2.gz IOVWGGGCTHKOKX-ILXRZTDVSA-N 1 2 364.902 2.721 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)cc(O)c1OC ZINC001141173880 1025563217 /nfs/dbraw/zinc/56/32/17/1025563217.db2.gz NOGQDUOPBLOEBA-UHFFFAOYSA-N 1 2 353.422 2.603 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001102262811 1025660961 /nfs/dbraw/zinc/66/09/61/1025660961.db2.gz MMGRXHKYKLRAMC-RBSFLKMASA-N 1 2 366.531 2.723 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001102262811 1025660971 /nfs/dbraw/zinc/66/09/71/1025660971.db2.gz MMGRXHKYKLRAMC-RBSFLKMASA-N 1 2 366.531 2.723 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1C ZINC001102328810 1025755285 /nfs/dbraw/zinc/75/52/85/1025755285.db2.gz YEQORFOSTAPZCN-STXHMFSFSA-N 1 2 361.534 2.889 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1C ZINC001102328810 1025755297 /nfs/dbraw/zinc/75/52/97/1025755297.db2.gz YEQORFOSTAPZCN-STXHMFSFSA-N 1 2 361.534 2.889 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC001141401227 1026181612 /nfs/dbraw/zinc/18/16/12/1026181612.db2.gz NAVZHSFTTWFMNT-INIZCTEOSA-N 1 2 350.390 2.569 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC001141401227 1026181615 /nfs/dbraw/zinc/18/16/15/1026181615.db2.gz NAVZHSFTTWFMNT-INIZCTEOSA-N 1 2 350.390 2.569 20 30 FFEDLO C[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C ZINC000838912069 1026534941 /nfs/dbraw/zinc/53/49/41/1026534941.db2.gz DODDYHBTNOCOBB-GFCCVEGCSA-N 1 2 350.378 2.836 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC000839138300 1026600875 /nfs/dbraw/zinc/60/08/75/1026600875.db2.gz OWKGQWVOTKLQIQ-MRXNPFEDSA-N 1 2 363.433 2.813 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC000839138300 1026600879 /nfs/dbraw/zinc/60/08/79/1026600879.db2.gz OWKGQWVOTKLQIQ-MRXNPFEDSA-N 1 2 363.433 2.813 20 30 FFEDLO Cc1ncc(C#N)c(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)n1 ZINC001158545215 1027057654 /nfs/dbraw/zinc/05/76/54/1027057654.db2.gz HLMQUKZBFHVYJN-MRXNPFEDSA-N 1 2 361.371 2.910 20 30 FFEDLO Cc1ncc(C#N)c(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)n1 ZINC001158545215 1027057660 /nfs/dbraw/zinc/05/76/60/1027057660.db2.gz HLMQUKZBFHVYJN-MRXNPFEDSA-N 1 2 361.371 2.910 20 30 FFEDLO C#C[C@@](C)(CC)Nc1nc2c(ccn2S(=O)(=O)c2ccccc2)c[nH+]1 ZINC001158743211 1027120730 /nfs/dbraw/zinc/12/07/30/1027120730.db2.gz QWJVBNYJIMINNV-SFHVURJKSA-N 1 2 354.435 2.882 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)oc(=O)c1c2CCCCC1 ZINC000840751455 1027236564 /nfs/dbraw/zinc/23/65/64/1027236564.db2.gz AVJFAUHAZCSCIV-OAHLLOKOSA-N 1 2 370.449 2.647 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)oc(=O)c1c2CCCCC1 ZINC000840751455 1027236579 /nfs/dbraw/zinc/23/65/79/1027236579.db2.gz AVJFAUHAZCSCIV-OAHLLOKOSA-N 1 2 370.449 2.647 20 30 FFEDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1c(C#N)c(Cl)nc2ccc(F)c(C)c21 ZINC001159301752 1027345263 /nfs/dbraw/zinc/34/52/63/1027345263.db2.gz LIRZTNRJGTVLDT-UHFFFAOYSA-N 1 2 359.792 2.908 20 30 FFEDLO COc1ccc(-c2noc([C@@H](C)O[NH+]=C(N)Cc3cccnc3)n2)cc1 ZINC000092914930 1027505042 /nfs/dbraw/zinc/50/50/42/1027505042.db2.gz QBWUCPGEQAXQTE-GFCCVEGCSA-N 1 2 353.382 2.733 20 30 FFEDLO CC[C@@]1(C)CC(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C1=O ZINC000795715589 1027952868 /nfs/dbraw/zinc/95/28/68/1027952868.db2.gz ZPDLGLXGTXJAPZ-FQEVSTJZSA-N 1 2 373.428 2.673 20 30 FFEDLO COc1cc(NC2CC[NH+](CC(=O)c3ccccc3)CC2)ncc1C#N ZINC001161143904 1028034214 /nfs/dbraw/zinc/03/42/14/1028034214.db2.gz AKBRFNFKANBZOF-UHFFFAOYSA-N 1 2 350.422 2.721 20 30 FFEDLO C=CC[C@@](C)(Nc1ncnc2c1C[N@H+](Cc1ccccc1)CC2)C(=O)OC ZINC001163087119 1028791069 /nfs/dbraw/zinc/79/10/69/1028791069.db2.gz ZHKDOENJNHELAK-OAQYLSRUSA-N 1 2 366.465 2.955 20 30 FFEDLO C=CC[C@@](C)(Nc1ncnc2c1C[N@@H+](Cc1ccccc1)CC2)C(=O)OC ZINC001163087119 1028791083 /nfs/dbraw/zinc/79/10/83/1028791083.db2.gz ZHKDOENJNHELAK-OAQYLSRUSA-N 1 2 366.465 2.955 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(C)cs1 ZINC001155757343 1028894156 /nfs/dbraw/zinc/89/41/56/1028894156.db2.gz JLFMPDIHGWKPJM-VYDXJSESSA-N 1 2 351.516 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(C)cs1 ZINC001155757343 1028894172 /nfs/dbraw/zinc/89/41/72/1028894172.db2.gz JLFMPDIHGWKPJM-VYDXJSESSA-N 1 2 351.516 2.759 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc([C@H](C)OCC)no1)C2 ZINC001111648680 1029044403 /nfs/dbraw/zinc/04/44/03/1029044403.db2.gz JFQIOGJTIXLSCN-DOXZYTNZSA-N 1 2 362.474 2.604 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc([C@H](C)OCC)no1)C2 ZINC001111648680 1029044417 /nfs/dbraw/zinc/04/44/17/1029044417.db2.gz JFQIOGJTIXLSCN-DOXZYTNZSA-N 1 2 362.474 2.604 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2ccccc2F)nnc1Cl ZINC001156333277 1029151762 /nfs/dbraw/zinc/15/17/62/1029151762.db2.gz ZFYIRTZFYUHJSZ-JTQLQIEISA-N 1 2 367.762 2.783 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCC1(C[NH2+]CC(F)(F)C(F)F)CC1 ZINC001164570420 1029324208 /nfs/dbraw/zinc/32/42/08/1029324208.db2.gz XKIZKDBJHZOFFY-OLZOCXBDSA-N 1 2 366.399 2.744 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1CCC)C2 ZINC001111761670 1029371560 /nfs/dbraw/zinc/37/15/60/1029371560.db2.gz GPTJOPBGXGRGNM-JXFKEZNVSA-N 1 2 359.518 2.761 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1CCC)C2 ZINC001111761670 1029371571 /nfs/dbraw/zinc/37/15/71/1029371571.db2.gz GPTJOPBGXGRGNM-JXFKEZNVSA-N 1 2 359.518 2.761 20 30 FFEDLO COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1nc(C)ccc1C#N ZINC001157503094 1029599245 /nfs/dbraw/zinc/59/92/45/1029599245.db2.gz DUBNTMKFZUNIFA-IBGZPJMESA-N 1 2 364.449 2.516 20 30 FFEDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1nc(C)ccc1C#N ZINC001157503094 1029599247 /nfs/dbraw/zinc/59/92/47/1029599247.db2.gz DUBNTMKFZUNIFA-IBGZPJMESA-N 1 2 364.449 2.516 20 30 FFEDLO N#Cc1cc(Cl)nc(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c1 ZINC001165690418 1030082469 /nfs/dbraw/zinc/08/24/69/1030082469.db2.gz IZQXEENERMXADE-OAHLLOKOSA-N 1 2 357.845 2.866 20 30 FFEDLO N#Cc1ccc2cc[nH+]c(N3C[C@@H](OCc4cccnc4)[C@H]4COC[C@H]43)c2c1 ZINC001165701530 1030092635 /nfs/dbraw/zinc/09/26/35/1030092635.db2.gz XKAWNPNEOLDNRU-PWRODBHTSA-N 1 2 372.428 2.922 20 30 FFEDLO N#Cc1ccc2cc[nH+]c(N3Cc4nccn4C[C@@H](Cn4cccn4)C3)c2c1 ZINC001166101644 1030248638 /nfs/dbraw/zinc/24/86/38/1030248638.db2.gz SXWDWYQKUSQQLJ-QGZVFWFLSA-N 1 2 369.432 2.836 20 30 FFEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCc2ccccc2C(N)=O)[nH+]1 ZINC001166194200 1030296228 /nfs/dbraw/zinc/29/62/28/1030296228.db2.gz NEVLJRMBJUATRD-QSLRPCJVSA-N 1 2 372.494 2.982 20 30 FFEDLO CN(Cc1ccc(C#N)cc1)c1cc(-c2cc3c([nH]2)CCNC3=O)cc[nH+]1 ZINC001166539792 1030438260 /nfs/dbraw/zinc/43/82/60/1030438260.db2.gz RYACOJLSZMNBJM-UHFFFAOYSA-N 1 2 357.417 2.871 20 30 FFEDLO CNc1ccc(Nc2ncc(C#N)cc2I)c[nH+]1 ZINC001203449445 1030702865 /nfs/dbraw/zinc/70/28/65/1030702865.db2.gz GEVQGRINWVDBJJ-UHFFFAOYSA-N 1 2 351.151 2.738 20 30 FFEDLO CNc1ccc(Nc2cc(OCCOC)c(OCCOC)cc2C#N)c[nH+]1 ZINC001203459626 1030705270 /nfs/dbraw/zinc/70/52/70/1030705270.db2.gz MHCJVIQCXLHVFG-UHFFFAOYSA-N 1 2 372.425 2.789 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cc(OC)cc(OC)c1)CC2 ZINC001203856207 1030936407 /nfs/dbraw/zinc/93/64/07/1030936407.db2.gz WJUMGVOAUZVXDV-UHFFFAOYSA-N 1 2 357.454 2.698 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cc(OC)cc(OC)c1)CC2 ZINC001203856207 1030936423 /nfs/dbraw/zinc/93/64/23/1030936423.db2.gz WJUMGVOAUZVXDV-UHFFFAOYSA-N 1 2 357.454 2.698 20 30 FFEDLO C=CCc1ccc(OCC(=O)OCC2CN(c3cccc[nH+]3)C2)c(OC)c1 ZINC000842892551 1031026274 /nfs/dbraw/zinc/02/62/74/1031026274.db2.gz JCFAXCKAARNRIP-UHFFFAOYSA-N 1 2 368.433 2.877 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000797805614 1031217412 /nfs/dbraw/zinc/21/74/12/1031217412.db2.gz DWCRAXZLNVCKTB-UHFFFAOYSA-N 1 2 360.417 2.966 20 30 FFEDLO N#Cc1ccccc1CN1Cc2c[nH+]cn2C[C@@H](COCc2ccccn2)C1 ZINC001204370538 1031258329 /nfs/dbraw/zinc/25/83/29/1031258329.db2.gz CGKAXPUVCFOGSR-SFHVURJKSA-N 1 2 373.460 2.999 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@](C)(F)CCCC)C1 ZINC001205150376 1031554873 /nfs/dbraw/zinc/55/48/73/1031554873.db2.gz CPMSXEWIHVJZTH-SBHAEUEKSA-N 1 2 360.473 2.612 20 30 FFEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@](C)(F)CCCC)C1 ZINC001205150376 1031554883 /nfs/dbraw/zinc/55/48/83/1031554883.db2.gz CPMSXEWIHVJZTH-SBHAEUEKSA-N 1 2 360.473 2.612 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@](C)(F)CCCC)C1 ZINC001205150379 1031555297 /nfs/dbraw/zinc/55/52/97/1031555297.db2.gz CPMSXEWIHVJZTH-SFHLNBCPSA-N 1 2 360.473 2.612 20 30 FFEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@](C)(F)CCCC)C1 ZINC001205150379 1031555301 /nfs/dbraw/zinc/55/53/01/1031555301.db2.gz CPMSXEWIHVJZTH-SFHLNBCPSA-N 1 2 360.473 2.612 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1=O ZINC000798956595 1031592860 /nfs/dbraw/zinc/59/28/60/1031592860.db2.gz FUOUPMAUOHOZEV-HNNXBMFYSA-N 1 2 360.458 2.647 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1=O ZINC000798956595 1031592871 /nfs/dbraw/zinc/59/28/71/1031592871.db2.gz FUOUPMAUOHOZEV-HNNXBMFYSA-N 1 2 360.458 2.647 20 30 FFEDLO N#CCCNC(=O)C[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC000799181656 1031685086 /nfs/dbraw/zinc/68/50/86/1031685086.db2.gz BNHKBVIDZSWKSP-UHFFFAOYSA-N 1 2 373.350 2.876 20 30 FFEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H](O)c2ccc(F)cn2)CC1 ZINC000799324138 1031738184 /nfs/dbraw/zinc/73/81/84/1031738184.db2.gz KWYFXLRDNWPFBX-OALUTQOASA-N 1 2 374.847 2.790 20 30 FFEDLO O=C1C=C(NNc2[nH+]c(-c3ccccn3)nc3c2CCC3)[C@@H]2CCCCN12 ZINC000799481565 1031780347 /nfs/dbraw/zinc/78/03/47/1031780347.db2.gz XFDFPAOEIQVYAP-KRWDZBQOSA-N 1 2 362.437 2.580 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2cc3scc(Br)c3[nH]2)CC1 ZINC001151489367 1031968639 /nfs/dbraw/zinc/96/86/39/1031968639.db2.gz LOUJVSFRQCSKAD-UHFFFAOYSA-N 1 2 354.273 2.936 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3C(C)(C)C)[C@H]2C1 ZINC001223309443 1033385939 /nfs/dbraw/zinc/38/59/39/1033385939.db2.gz HCNMMJWMPRUYJE-MSOLQXFVSA-N 1 2 371.529 2.650 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3C(C)(C)C)[C@H]2C1 ZINC001223309443 1033385951 /nfs/dbraw/zinc/38/59/51/1033385951.db2.gz HCNMMJWMPRUYJE-MSOLQXFVSA-N 1 2 371.529 2.650 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3CCC)[C@H]2C1 ZINC001223338318 1033401306 /nfs/dbraw/zinc/40/13/06/1033401306.db2.gz LWCCBDKPOIYCDA-KURKYZTESA-N 1 2 359.518 2.713 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3CCC)[C@H]2C1 ZINC001223338318 1033401308 /nfs/dbraw/zinc/40/13/08/1033401308.db2.gz LWCCBDKPOIYCDA-KURKYZTESA-N 1 2 359.518 2.713 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001223338693 1033402529 /nfs/dbraw/zinc/40/25/29/1033402529.db2.gz WMOLLSFTRLTNHF-KSZLIROESA-N 1 2 359.518 2.884 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001223338693 1033402535 /nfs/dbraw/zinc/40/25/35/1033402535.db2.gz WMOLLSFTRLTNHF-KSZLIROESA-N 1 2 359.518 2.884 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3CC)[C@H]2C1 ZINC001223338713 1033402560 /nfs/dbraw/zinc/40/25/60/1033402560.db2.gz XJCWVYGEIJSXKP-JQHSSLGASA-N 1 2 359.518 2.632 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3CC)[C@H]2C1 ZINC001223338713 1033402570 /nfs/dbraw/zinc/40/25/70/1033402570.db2.gz XJCWVYGEIJSXKP-JQHSSLGASA-N 1 2 359.518 2.632 20 30 FFEDLO CC(C)Sc1nccc(C[N@@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)n1 ZINC001276889514 1033438585 /nfs/dbraw/zinc/43/85/85/1033438585.db2.gz VACNDILGCUHMIG-IBGZPJMESA-N 1 2 373.526 2.848 20 30 FFEDLO CC(C)Sc1nccc(C[N@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)n1 ZINC001276889514 1033438588 /nfs/dbraw/zinc/43/85/88/1033438588.db2.gz VACNDILGCUHMIG-IBGZPJMESA-N 1 2 373.526 2.848 20 30 FFEDLO CCCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001219562359 1033692263 /nfs/dbraw/zinc/69/22/63/1033692263.db2.gz KJCLQKCYVCNQFP-LZQZEXGQSA-N 1 2 362.901 2.679 20 30 FFEDLO CCCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001219562359 1033692267 /nfs/dbraw/zinc/69/22/67/1033692267.db2.gz KJCLQKCYVCNQFP-LZQZEXGQSA-N 1 2 362.901 2.679 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2csc(-c3ccncc3)n2)C1=O ZINC001276949250 1033730560 /nfs/dbraw/zinc/73/05/60/1033730560.db2.gz PYHYXRMEPZJYON-IBGZPJMESA-N 1 2 354.479 2.958 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2csc(-c3ccncc3)n2)C1=O ZINC001276949250 1033730577 /nfs/dbraw/zinc/73/05/77/1033730577.db2.gz PYHYXRMEPZJYON-IBGZPJMESA-N 1 2 354.479 2.958 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nncn4C)[C@H]3C2)CCCCC1 ZINC001224208332 1033774252 /nfs/dbraw/zinc/77/42/52/1033774252.db2.gz RRLGIKXWXPXLHG-MSOLQXFVSA-N 1 2 371.529 2.765 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nncn4C)[C@H]3C2)CCCCC1 ZINC001224208332 1033774266 /nfs/dbraw/zinc/77/42/66/1033774266.db2.gz RRLGIKXWXPXLHG-MSOLQXFVSA-N 1 2 371.529 2.765 20 30 FFEDLO C[C@@H](CN1C[C@@]2(F)C[N@H+](CCCCC#N)C[C@@]2(F)C1=O)CC(F)(F)F ZINC001276955280 1033791737 /nfs/dbraw/zinc/79/17/37/1033791737.db2.gz HSTANHUQGDIHMI-VHDGCEQUSA-N 1 2 367.362 2.843 20 30 FFEDLO C[C@@H](CN1C[C@@]2(F)C[N@@H+](CCCCC#N)C[C@@]2(F)C1=O)CC(F)(F)F ZINC001276955280 1033791755 /nfs/dbraw/zinc/79/17/55/1033791755.db2.gz HSTANHUQGDIHMI-VHDGCEQUSA-N 1 2 367.362 2.843 20 30 FFEDLO CCCC(CCC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001220232493 1034059701 /nfs/dbraw/zinc/05/97/01/1034059701.db2.gz YUBZNSYOKIXAEP-MOPGFXCFSA-N 1 2 361.461 2.575 20 30 FFEDLO CCCC(CCC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001220232493 1034059718 /nfs/dbraw/zinc/05/97/18/1034059718.db2.gz YUBZNSYOKIXAEP-MOPGFXCFSA-N 1 2 361.461 2.575 20 30 FFEDLO COC(=O)c1ccc(C(=[NH2+])NC(O)=C2CCC[C@H](c3ccccc3)N2)cc1 ZINC001220581906 1034268944 /nfs/dbraw/zinc/26/89/44/1034268944.db2.gz XSYRJGUTRIKVPN-MSOLQXFVSA-N 1 2 365.433 2.589 20 30 FFEDLO CC(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001220629199 1034304502 /nfs/dbraw/zinc/30/45/02/1034304502.db2.gz XEAYJKAXHBKRBO-IPELMVKDSA-N 1 2 362.901 2.535 20 30 FFEDLO CC(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001220629199 1034304507 /nfs/dbraw/zinc/30/45/07/1034304507.db2.gz XEAYJKAXHBKRBO-IPELMVKDSA-N 1 2 362.901 2.535 20 30 FFEDLO COc1ccnc(O[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1C#N ZINC001225565441 1034310613 /nfs/dbraw/zinc/31/06/13/1034310613.db2.gz ASMYYBJVULFLOM-HNAYVOBHSA-N 1 2 353.422 2.630 20 30 FFEDLO COc1ccnc(O[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1C#N ZINC001225565441 1034310617 /nfs/dbraw/zinc/31/06/17/1034310617.db2.gz ASMYYBJVULFLOM-HNAYVOBHSA-N 1 2 353.422 2.630 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cccnc2NC(=O)C(C)(C)C)C1 ZINC001138542219 1034393014 /nfs/dbraw/zinc/39/30/14/1034393014.db2.gz BAPGSLMDTPUEGZ-INIZCTEOSA-N 1 2 374.485 2.943 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccnc2NC(=O)C(C)(C)C)C1 ZINC001138542219 1034393021 /nfs/dbraw/zinc/39/30/21/1034393021.db2.gz BAPGSLMDTPUEGZ-INIZCTEOSA-N 1 2 374.485 2.943 20 30 FFEDLO C#CCOc1ccc(C[NH+]2CCN(CCOc3ccccc3)CC2)cc1 ZINC001138558790 1034410592 /nfs/dbraw/zinc/41/05/92/1034410592.db2.gz JDMGDSSURAVOBL-UHFFFAOYSA-N 1 2 350.462 2.895 20 30 FFEDLO C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(F)C(F)(F)F ZINC001226356205 1034647524 /nfs/dbraw/zinc/64/75/24/1034647524.db2.gz RVLFHOFNDMRKQZ-BBBLOLIVSA-N 1 2 361.177 2.812 20 30 FFEDLO C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](F)C(F)(F)F ZINC001226356205 1034647529 /nfs/dbraw/zinc/64/75/29/1034647529.db2.gz RVLFHOFNDMRKQZ-BBBLOLIVSA-N 1 2 361.177 2.812 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001226481516 1034705395 /nfs/dbraw/zinc/70/53/95/1034705395.db2.gz KUPZJADIDZNYCF-HUUCEWRRSA-N 1 2 362.522 2.547 20 30 FFEDLO CCCOCC(=O)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001221415692 1034726044 /nfs/dbraw/zinc/72/60/44/1034726044.db2.gz FPTRBIKJAXHUBB-IEBWSBKVSA-N 1 2 360.885 2.651 20 30 FFEDLO CCCOCC(=O)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001221415692 1034726059 /nfs/dbraw/zinc/72/60/59/1034726059.db2.gz FPTRBIKJAXHUBB-IEBWSBKVSA-N 1 2 360.885 2.651 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)CCCC(C)C)C[C@H]21 ZINC001221430466 1034748597 /nfs/dbraw/zinc/74/85/97/1034748597.db2.gz FOPSXIRGSWNDPN-IPMKNSEASA-N 1 2 363.546 2.816 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@@H](C)CCCC(C)C)C[C@H]21 ZINC001221430466 1034748602 /nfs/dbraw/zinc/74/86/02/1034748602.db2.gz FOPSXIRGSWNDPN-IPMKNSEASA-N 1 2 363.546 2.816 20 30 FFEDLO C=CCCOCCCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccns3)C[C@H]21 ZINC001221551473 1034866510 /nfs/dbraw/zinc/86/65/10/1034866510.db2.gz AECOUQUHNGCUJI-SJLPKXTDSA-N 1 2 363.527 2.939 20 30 FFEDLO C=CCCOCCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccns3)C[C@H]21 ZINC001221551473 1034866520 /nfs/dbraw/zinc/86/65/20/1034866520.db2.gz AECOUQUHNGCUJI-SJLPKXTDSA-N 1 2 363.527 2.939 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1C[C@H]2CC[N@H+](Cc3cncc(F)c3)C[C@H]21)OCC ZINC001221586200 1034899078 /nfs/dbraw/zinc/89/90/78/1034899078.db2.gz DZXFSNCOTZUUTQ-BHIYHBOVSA-N 1 2 361.461 2.625 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1C[C@H]2CC[N@@H+](Cc3cncc(F)c3)C[C@H]21)OCC ZINC001221586200 1034899079 /nfs/dbraw/zinc/89/90/79/1034899079.db2.gz DZXFSNCOTZUUTQ-BHIYHBOVSA-N 1 2 361.461 2.625 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cccc(Cl)n4)C[C@H]32)CCC1 ZINC001221611379 1034918724 /nfs/dbraw/zinc/91/87/24/1034918724.db2.gz YQJWCUPZFVADHS-NVXWUHKLSA-N 1 2 357.885 2.961 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(Cl)n4)C[C@H]32)CCC1 ZINC001221611379 1034918727 /nfs/dbraw/zinc/91/87/27/1034918727.db2.gz YQJWCUPZFVADHS-NVXWUHKLSA-N 1 2 357.885 2.961 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)CCC1 ZINC001221611864 1034919358 /nfs/dbraw/zinc/91/93/58/1034919358.db2.gz LUXSGCJGJXSDDI-YLJYHZDGSA-N 1 2 365.452 2.924 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)CCC1 ZINC001221611864 1034919361 /nfs/dbraw/zinc/91/93/61/1034919361.db2.gz LUXSGCJGJXSDDI-YLJYHZDGSA-N 1 2 365.452 2.924 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)C4(CCF)CC4)[C@@H]3C2)c1 ZINC001221707797 1034999717 /nfs/dbraw/zinc/99/97/17/1034999717.db2.gz UMKVBUKYPGVNGB-CRAIPNDOSA-N 1 2 359.420 2.870 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C4(CCF)CC4)[C@@H]3C2)c1 ZINC001221707797 1034999719 /nfs/dbraw/zinc/99/97/19/1034999719.db2.gz UMKVBUKYPGVNGB-CRAIPNDOSA-N 1 2 359.420 2.870 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2CC[N@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001221740252 1035029110 /nfs/dbraw/zinc/02/91/10/1035029110.db2.gz PJZSBACLWUMOCH-WIYYLYMNSA-N 1 2 368.525 2.836 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001221740252 1035029122 /nfs/dbraw/zinc/02/91/22/1035029122.db2.gz PJZSBACLWUMOCH-WIYYLYMNSA-N 1 2 368.525 2.836 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC001221760719 1035045276 /nfs/dbraw/zinc/04/52/76/1035045276.db2.gz NXPILHACIRKTQE-ZHALLVOQSA-N 1 2 361.530 2.570 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC001221760719 1035045286 /nfs/dbraw/zinc/04/52/86/1035045286.db2.gz NXPILHACIRKTQE-ZHALLVOQSA-N 1 2 361.530 2.570 20 30 FFEDLO C=CC1(CC(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCCC)C[C@H]32)CCCCC1 ZINC001221867296 1035123048 /nfs/dbraw/zinc/12/30/48/1035123048.db2.gz HXRVACHHNREENJ-QZTJIDSGSA-N 1 2 361.530 2.572 20 30 FFEDLO C=CC1(CC(=O)N2C[C@H]3CC[N@H+](CC(=O)NCCC)C[C@H]32)CCCCC1 ZINC001221867296 1035123050 /nfs/dbraw/zinc/12/30/50/1035123050.db2.gz HXRVACHHNREENJ-QZTJIDSGSA-N 1 2 361.530 2.572 20 30 FFEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1cc(C#N)ccc1F ZINC001139648208 1035189666 /nfs/dbraw/zinc/18/96/66/1035189666.db2.gz ZOBWDDUIULKACH-LJQANCHMSA-N 1 2 369.444 2.710 20 30 FFEDLO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3cnc(Cl)nc3)CC2)cc1 ZINC001139993612 1035301592 /nfs/dbraw/zinc/30/15/92/1035301592.db2.gz SLSFCWRRMHSALE-UHFFFAOYSA-N 1 2 370.844 2.788 20 30 FFEDLO COC(=O)c1ccc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000835023404 1035489245 /nfs/dbraw/zinc/48/92/45/1035489245.db2.gz HQLLSJZKJNJQNA-UHFFFAOYSA-N 1 2 357.385 2.895 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(C(=O)OCC)[nH]1)CCO2 ZINC001140688563 1035894936 /nfs/dbraw/zinc/89/49/36/1035894936.db2.gz SMFQBTBAPCWLTE-OXQOHEQNSA-N 1 2 362.470 2.765 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccc(C(=O)OCC)[nH]1)CCO2 ZINC001140688563 1035894948 /nfs/dbraw/zinc/89/49/48/1035894948.db2.gz SMFQBTBAPCWLTE-OXQOHEQNSA-N 1 2 362.470 2.765 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(CC(C)C)n1 ZINC001228052014 1035903702 /nfs/dbraw/zinc/90/37/02/1035903702.db2.gz VWTAOUYTZGINPL-IAGOWNOFSA-N 1 2 360.502 2.979 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCO[C@@]3(CCCN(c4cccnc4)C3)C2)c1 ZINC001232675794 1035931172 /nfs/dbraw/zinc/93/11/72/1035931172.db2.gz VKRIBJLMTUVKQG-NRFANRHFSA-N 1 2 364.449 2.530 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCO[C@@]3(CCCN(c4cccnc4)C3)C2)c1 ZINC001232675794 1035931188 /nfs/dbraw/zinc/93/11/88/1035931188.db2.gz VKRIBJLMTUVKQG-NRFANRHFSA-N 1 2 364.449 2.530 20 30 FFEDLO N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC001536352192 1069960482 /nfs/dbraw/zinc/96/04/82/1069960482.db2.gz ISPLRNZFSJDJPH-KRWDZBQOSA-N 1 2 373.372 2.549 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCC(NC(=O)c3ccccc3F)CC2)c1 ZINC001232680419 1035939549 /nfs/dbraw/zinc/93/95/49/1035939549.db2.gz DGTLALHFGFQXEC-UHFFFAOYSA-N 1 2 353.397 2.797 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)c1Cl ZINC001140810695 1036208218 /nfs/dbraw/zinc/20/82/18/1036208218.db2.gz CODWMOBPAJBRJK-QZTJIDSGSA-N 1 2 366.852 2.982 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)c1Cl ZINC001140810695 1036208234 /nfs/dbraw/zinc/20/82/34/1036208234.db2.gz CODWMOBPAJBRJK-QZTJIDSGSA-N 1 2 366.852 2.982 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001228691112 1036262277 /nfs/dbraw/zinc/26/22/77/1036262277.db2.gz LSXUYEDZVOEGOB-XGRQOQASSA-N 1 2 355.482 2.761 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2c(OC)ccc(OC)c2F)C1=O ZINC001277357417 1036505043 /nfs/dbraw/zinc/50/50/43/1036505043.db2.gz KJAHJYKFFRMWHA-FQEVSTJZSA-N 1 2 362.445 2.986 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2c(OC)ccc(OC)c2F)C1=O ZINC001277357417 1036505062 /nfs/dbraw/zinc/50/50/62/1036505062.db2.gz KJAHJYKFFRMWHA-FQEVSTJZSA-N 1 2 362.445 2.986 20 30 FFEDLO CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cn3cc(C#N)ccc3n2)C1=O ZINC001277377209 1036615837 /nfs/dbraw/zinc/61/58/37/1036615837.db2.gz FLYTYXGACANARZ-FQEVSTJZSA-N 1 2 351.454 2.573 20 30 FFEDLO CCCCN1CC[C@@]2(CCC[N@H+]2Cc2cn3cc(C#N)ccc3n2)C1=O ZINC001277377209 1036615847 /nfs/dbraw/zinc/61/58/47/1036615847.db2.gz FLYTYXGACANARZ-FQEVSTJZSA-N 1 2 351.454 2.573 20 30 FFEDLO Cc1nnc(O[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)c1C ZINC001229439700 1036674552 /nfs/dbraw/zinc/67/45/52/1036674552.db2.gz QIJOPNPFLPEEIH-LPHOPBHVSA-N 1 2 352.438 2.633 20 30 FFEDLO Cc1nnc(O[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)c1C ZINC001229439700 1036674560 /nfs/dbraw/zinc/67/45/60/1036674560.db2.gz QIJOPNPFLPEEIH-LPHOPBHVSA-N 1 2 352.438 2.633 20 30 FFEDLO Cc1nnc(O[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)c1C ZINC001229439703 1036674597 /nfs/dbraw/zinc/67/45/97/1036674597.db2.gz QIJOPNPFLPEEIH-VQIMIIECSA-N 1 2 352.438 2.633 20 30 FFEDLO Cc1nnc(O[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)c1C ZINC001229439703 1036674607 /nfs/dbraw/zinc/67/46/07/1036674607.db2.gz QIJOPNPFLPEEIH-VQIMIIECSA-N 1 2 352.438 2.633 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277388226 1036681098 /nfs/dbraw/zinc/68/10/98/1036681098.db2.gz UKPBLNZUFKLWOS-GOSISDBHSA-N 1 2 350.821 2.775 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277388226 1036681106 /nfs/dbraw/zinc/68/11/06/1036681106.db2.gz UKPBLNZUFKLWOS-GOSISDBHSA-N 1 2 350.821 2.775 20 30 FFEDLO C#Cc1cccc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000836656777 1036732219 /nfs/dbraw/zinc/73/22/19/1036732219.db2.gz NDYHMEGNUPDOPE-UHFFFAOYSA-N 1 2 358.445 2.567 20 30 FFEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(OC)c(Cl)c1O)CC2 ZINC001277834083 1036935139 /nfs/dbraw/zinc/93/51/39/1036935139.db2.gz PXHBVVDCCHHAKR-CQSZACIVSA-N 1 2 364.873 2.959 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2nc3ccccc3n2C)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001206950759 1036971993 /nfs/dbraw/zinc/97/19/93/1036971993.db2.gz HZBNDWOIQLOJDT-NVXWUHKLSA-N 1 2 352.482 2.559 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2nc3ccccc3n2C)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001206950759 1036972009 /nfs/dbraw/zinc/97/20/09/1036972009.db2.gz HZBNDWOIQLOJDT-NVXWUHKLSA-N 1 2 352.482 2.559 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(-c3ccco3)on2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001206950607 1036974116 /nfs/dbraw/zinc/97/41/16/1036974116.db2.gz ADWGJDFEUOSWAH-GDBMZVCRSA-N 1 2 355.438 2.921 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(-c3ccco3)on2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001206950607 1036974135 /nfs/dbraw/zinc/97/41/35/1036974135.db2.gz ADWGJDFEUOSWAH-GDBMZVCRSA-N 1 2 355.438 2.921 20 30 FFEDLO CC(C)c1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206952976 1036975053 /nfs/dbraw/zinc/97/50/53/1036975053.db2.gz MXIASAXUVPKZQZ-OXQOHEQNSA-N 1 2 367.493 2.598 20 30 FFEDLO CC(C)c1ccccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206952976 1036975064 /nfs/dbraw/zinc/97/50/64/1036975064.db2.gz MXIASAXUVPKZQZ-OXQOHEQNSA-N 1 2 367.493 2.598 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2c(Cl)cccc2Cl)C[C@H]1C ZINC001206955474 1036979744 /nfs/dbraw/zinc/97/97/44/1036979744.db2.gz WCJNVJQPNPETGZ-PBFPGSCMSA-N 1 2 369.292 2.968 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2c(Cl)cccc2Cl)C[C@H]1C ZINC001206955474 1036979767 /nfs/dbraw/zinc/97/97/67/1036979767.db2.gz WCJNVJQPNPETGZ-PBFPGSCMSA-N 1 2 369.292 2.968 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001206957716 1036986217 /nfs/dbraw/zinc/98/62/17/1036986217.db2.gz JWLZYJDLJDYJQA-BZUAXINKSA-N 1 2 361.486 2.510 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001206957716 1036986232 /nfs/dbraw/zinc/98/62/32/1036986232.db2.gz JWLZYJDLJDYJQA-BZUAXINKSA-N 1 2 361.486 2.510 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(N4CCCCC4)ccc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001234369748 1037006892 /nfs/dbraw/zinc/00/68/92/1037006892.db2.gz WSNMPCRXLVXDRV-ACLLJPCYSA-N 1 2 359.426 2.576 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(N4CCCCC4)ccc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001234369748 1037006909 /nfs/dbraw/zinc/00/69/09/1037006909.db2.gz WSNMPCRXLVXDRV-ACLLJPCYSA-N 1 2 359.426 2.576 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001234403789 1037021479 /nfs/dbraw/zinc/02/14/79/1037021479.db2.gz ZIMIVCTZPURQPY-FUMNGEBKSA-N 1 2 373.541 2.546 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001234403789 1037021499 /nfs/dbraw/zinc/02/14/99/1037021499.db2.gz ZIMIVCTZPURQPY-FUMNGEBKSA-N 1 2 373.541 2.546 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cncc(F)c2)Cc2nnn(CC3CC3)c21 ZINC001207020976 1037063718 /nfs/dbraw/zinc/06/37/18/1037063718.db2.gz QRBUJISHHJNFBZ-INIZCTEOSA-N 1 2 357.433 2.524 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](Cc2cncc(F)c2)Cc2nnn(CC3CC3)c21 ZINC001207020976 1037063731 /nfs/dbraw/zinc/06/37/31/1037063731.db2.gz QRBUJISHHJNFBZ-INIZCTEOSA-N 1 2 357.433 2.524 20 30 FFEDLO Cn1cc(C[NH+]2CC(c3ncn4cc(Br)ccc34)C2)cc1C#N ZINC001207109616 1037154476 /nfs/dbraw/zinc/15/44/76/1037154476.db2.gz OFSMLCSLCPGREN-UHFFFAOYSA-N 1 2 370.254 2.906 20 30 FFEDLO COC(C)(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(C#N)c2F)C1=O ZINC001276510241 1037171059 /nfs/dbraw/zinc/17/10/59/1037171059.db2.gz LWOCYTHDJCSGAR-FQEVSTJZSA-N 1 2 359.445 2.689 20 30 FFEDLO COC(C)(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cccc(C#N)c2F)C1=O ZINC001276510241 1037171064 /nfs/dbraw/zinc/17/10/64/1037171064.db2.gz LWOCYTHDJCSGAR-FQEVSTJZSA-N 1 2 359.445 2.689 20 30 FFEDLO C=CC1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)CC1 ZINC001235145892 1037384621 /nfs/dbraw/zinc/38/46/21/1037384621.db2.gz UYBIIWPRVBZPMH-FQEVSTJZSA-N 1 2 357.498 2.803 20 30 FFEDLO C=CC1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)CC1 ZINC001235145892 1037384639 /nfs/dbraw/zinc/38/46/39/1037384639.db2.gz UYBIIWPRVBZPMH-FQEVSTJZSA-N 1 2 357.498 2.803 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)CCC1 ZINC001207509836 1037507262 /nfs/dbraw/zinc/50/72/62/1037507262.db2.gz CTWAIYHBVVOSCY-DNVCBOLYSA-N 1 2 353.441 2.827 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)CCC1 ZINC001207509836 1037507268 /nfs/dbraw/zinc/50/72/68/1037507268.db2.gz CTWAIYHBVVOSCY-DNVCBOLYSA-N 1 2 353.441 2.827 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277508505 1037544043 /nfs/dbraw/zinc/54/40/43/1037544043.db2.gz XHPWMSDFKQOETH-GOSISDBHSA-N 1 2 350.821 2.775 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277508505 1037544052 /nfs/dbraw/zinc/54/40/52/1037544052.db2.gz XHPWMSDFKQOETH-GOSISDBHSA-N 1 2 350.821 2.775 20 30 FFEDLO COCCCOc1cc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)ccc1OC ZINC001231608366 1037728220 /nfs/dbraw/zinc/72/82/20/1037728220.db2.gz ZPHGIVBCIYFIGN-GOSISDBHSA-N 1 2 363.479 2.885 20 30 FFEDLO COCCCOc1cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)ccc1OC ZINC001231608366 1037728235 /nfs/dbraw/zinc/72/82/35/1037728235.db2.gz ZPHGIVBCIYFIGN-GOSISDBHSA-N 1 2 363.479 2.885 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)cc1Cl ZINC001232117539 1038181378 /nfs/dbraw/zinc/18/13/78/1038181378.db2.gz AIBXMJUVJSEGTH-QGZVFWFLSA-N 1 2 361.873 2.719 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)cc1Cl ZINC001232117539 1038181384 /nfs/dbraw/zinc/18/13/84/1038181384.db2.gz AIBXMJUVJSEGTH-QGZVFWFLSA-N 1 2 361.873 2.719 20 30 FFEDLO COc1ccnc(Cl)c1C[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001232153213 1038204584 /nfs/dbraw/zinc/20/45/84/1038204584.db2.gz ICCGKQCSNQUGMP-UHFFFAOYSA-N 1 2 357.845 2.723 20 30 FFEDLO COc1ccnc(Cl)c1C[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001232153213 1038204601 /nfs/dbraw/zinc/20/46/01/1038204601.db2.gz ICCGKQCSNQUGMP-UHFFFAOYSA-N 1 2 357.845 2.723 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001208458560 1038328035 /nfs/dbraw/zinc/32/80/35/1038328035.db2.gz OKKDEMVGGIJQNU-VQIMIIECSA-N 1 2 353.470 2.560 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001208458560 1038328046 /nfs/dbraw/zinc/32/80/46/1038328046.db2.gz OKKDEMVGGIJQNU-VQIMIIECSA-N 1 2 353.470 2.560 20 30 FFEDLO Cc1cccc(C#N)c1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001208738796 1038502538 /nfs/dbraw/zinc/50/25/38/1038502538.db2.gz BOASXVYUJWRHRP-UHFFFAOYSA-N 1 2 352.419 2.531 20 30 FFEDLO CCn1ccnc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(F)ccc1C#N ZINC001278940134 1038532292 /nfs/dbraw/zinc/53/22/92/1038532292.db2.gz XGOBGOLEZDTOFJ-OALUTQOASA-N 1 2 353.445 2.763 20 30 FFEDLO CCn1ccnc1C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(F)ccc1C#N ZINC001278940134 1038532296 /nfs/dbraw/zinc/53/22/96/1038532296.db2.gz XGOBGOLEZDTOFJ-OALUTQOASA-N 1 2 353.445 2.763 20 30 FFEDLO CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001257627573 1038906435 /nfs/dbraw/zinc/90/64/35/1038906435.db2.gz RPTVQNAPUBHCFS-ZRGWGRIASA-N 1 2 365.474 2.553 20 30 FFEDLO CCOC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001257627573 1038906450 /nfs/dbraw/zinc/90/64/50/1038906450.db2.gz RPTVQNAPUBHCFS-ZRGWGRIASA-N 1 2 365.474 2.553 20 30 FFEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(Br)cnn1C)C2 ZINC001209709275 1039145395 /nfs/dbraw/zinc/14/53/95/1039145395.db2.gz PXKWLDPREVJHCS-BBRMVZONSA-N 1 2 370.291 2.509 20 30 FFEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(Br)cnn1C)C2 ZINC001209709275 1039145404 /nfs/dbraw/zinc/14/54/04/1039145404.db2.gz PXKWLDPREVJHCS-BBRMVZONSA-N 1 2 370.291 2.509 20 30 FFEDLO COc1cc(Cl)cc(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c1 ZINC001278421500 1039152040 /nfs/dbraw/zinc/15/20/40/1039152040.db2.gz LDJRLVMVEWXLDJ-UHFFFAOYSA-N 1 2 370.884 2.877 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1Cc1c[nH]c2cc(Cl)cc(Br)c12 ZINC001210121087 1039393235 /nfs/dbraw/zinc/39/32/35/1039393235.db2.gz KFVWQCBIVZDHEN-LLVKDONJSA-N 1 2 353.651 2.881 20 30 FFEDLO CC[C@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC001210221074 1039435017 /nfs/dbraw/zinc/43/50/17/1039435017.db2.gz IZTJDGLOUAJZJC-QGZVFWFLSA-N 1 2 359.451 2.609 20 30 FFEDLO CCCCCCCC[C@H](O)CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC001252123918 1039439465 /nfs/dbraw/zinc/43/94/65/1039439465.db2.gz MREKQEBWAKHTOR-IBGZPJMESA-N 1 2 352.523 2.739 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCCCCCC)C1 ZINC001210605576 1039629921 /nfs/dbraw/zinc/62/99/21/1039629921.db2.gz SBBHLDRDIIBGEW-UKRRQHHQSA-N 1 2 361.324 2.928 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCCCCCC)C1 ZINC001210605576 1039629924 /nfs/dbraw/zinc/62/99/24/1039629924.db2.gz SBBHLDRDIIBGEW-UKRRQHHQSA-N 1 2 361.324 2.928 20 30 FFEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)S(=O)(=O)c1cccc(C#N)c1 ZINC001259121937 1039729963 /nfs/dbraw/zinc/72/99/63/1039729963.db2.gz NWIUBQULOCWIBY-UHFFFAOYSA-N 1 2 352.419 2.565 20 30 FFEDLO CCCCCCCCCC[C@H](O)CN[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001252988143 1039896700 /nfs/dbraw/zinc/89/67/00/1039896700.db2.gz BKOPUJRLTSCTCQ-OALUTQOASA-N 1 2 367.534 2.986 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1C)c1ccccc1 ZINC001211225002 1040011366 /nfs/dbraw/zinc/01/13/66/1040011366.db2.gz YQISPWYINKLQPK-ZIFCJYIRSA-N 1 2 352.482 2.717 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1C)c1ccccc1 ZINC001211225002 1040011380 /nfs/dbraw/zinc/01/13/80/1040011380.db2.gz YQISPWYINKLQPK-ZIFCJYIRSA-N 1 2 352.482 2.717 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nc3ccccc3o2)C[C@H]1OC ZINC001213258394 1040382174 /nfs/dbraw/zinc/38/21/74/1040382174.db2.gz OHMMIJKRSUSYAH-NVXWUHKLSA-N 1 2 357.454 2.746 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nc3ccccc3o2)C[C@H]1OC ZINC001213258394 1040382188 /nfs/dbraw/zinc/38/21/88/1040382188.db2.gz OHMMIJKRSUSYAH-NVXWUHKLSA-N 1 2 357.454 2.746 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213269459 1040393174 /nfs/dbraw/zinc/39/31/74/1040393174.db2.gz PYZSGPGFHWZLQS-WOJBJXKFSA-N 1 2 371.456 2.596 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213269459 1040393184 /nfs/dbraw/zinc/39/31/84/1040393184.db2.gz PYZSGPGFHWZLQS-WOJBJXKFSA-N 1 2 371.456 2.596 20 30 FFEDLO C=C/C(C)=C\CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001213288068 1040413337 /nfs/dbraw/zinc/41/33/37/1040413337.db2.gz XEMXZMZEVWSZBN-QKLKTMHJSA-N 1 2 357.429 2.535 20 30 FFEDLO C=C/C(C)=C\CC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001213288068 1040413345 /nfs/dbraw/zinc/41/33/45/1040413345.db2.gz XEMXZMZEVWSZBN-QKLKTMHJSA-N 1 2 357.429 2.535 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)CCCC(C)C ZINC001213474865 1040584479 /nfs/dbraw/zinc/58/44/79/1040584479.db2.gz SOVRDWATDMDTKE-WOJBJXKFSA-N 1 2 360.473 2.819 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)CCCC(C)C ZINC001213474865 1040584488 /nfs/dbraw/zinc/58/44/88/1040584488.db2.gz SOVRDWATDMDTKE-WOJBJXKFSA-N 1 2 360.473 2.819 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](CN2C(=O)N[C@](CC)(c3ccc(CC)cc3)C2=O)C1 ZINC001254535616 1040786761 /nfs/dbraw/zinc/78/67/61/1040786761.db2.gz GKWRBLAGTNIAJO-WIYYLYMNSA-N 1 2 371.481 2.641 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](CN2C(=O)N[C@](CC)(c3ccc(CC)cc3)C2=O)C1 ZINC001254535616 1040786775 /nfs/dbraw/zinc/78/67/75/1040786775.db2.gz GKWRBLAGTNIAJO-WIYYLYMNSA-N 1 2 371.481 2.641 20 30 FFEDLO CC[C@@H](CC(C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001213692186 1040802403 /nfs/dbraw/zinc/80/24/03/1040802403.db2.gz YLZPJFFCWJNCGW-PWIZWCRZSA-N 1 2 357.498 2.946 20 30 FFEDLO CC[C@@H](CC(C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001213692186 1040802422 /nfs/dbraw/zinc/80/24/22/1040802422.db2.gz YLZPJFFCWJNCGW-PWIZWCRZSA-N 1 2 357.498 2.946 20 30 FFEDLO CC(C)(C)OC(=O)NCC1C[NH+]([C@@H]2CCCN([C@H]3CC[C@H](C#N)C3)C2)C1 ZINC001254673572 1040869372 /nfs/dbraw/zinc/86/93/72/1040869372.db2.gz MQWGLFOESFXAKT-RYQLBKOJSA-N 1 2 362.518 2.600 20 30 FFEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC001213772896 1040893855 /nfs/dbraw/zinc/89/38/55/1040893855.db2.gz DYQMDHWDNLAMLZ-UHFFFAOYSA-N 1 2 365.257 2.508 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3F)C[C@H](C1)O2 ZINC001249679864 1040931946 /nfs/dbraw/zinc/93/19/46/1040931946.db2.gz ACXULBHKYMJLNE-IYBDPMFKSA-N 1 2 361.417 2.517 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(C#N)c3F)C[C@H](C1)O2 ZINC001249679864 1040931969 /nfs/dbraw/zinc/93/19/69/1040931969.db2.gz ACXULBHKYMJLNE-IYBDPMFKSA-N 1 2 361.417 2.517 20 30 FFEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1cccc(C#N)c1F ZINC001249681391 1040939522 /nfs/dbraw/zinc/93/95/22/1040939522.db2.gz XCEXVJJVONGMIC-GOSISDBHSA-N 1 2 369.444 2.710 20 30 FFEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C(=O)OCC ZINC001254971279 1041076066 /nfs/dbraw/zinc/07/60/66/1041076066.db2.gz YRTZZPDITDCJDG-LIGLGGLYSA-N 1 2 364.486 2.872 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C(F)F)no3)C2)CC1 ZINC001215480771 1041799702 /nfs/dbraw/zinc/79/97/02/1041799702.db2.gz XKVLBYBFGTVJFO-VXGBXAGGSA-N 1 2 354.401 2.690 20 30 FFEDLO C=CCN(c1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1C)C1CC1 ZINC001262901336 1041945328 /nfs/dbraw/zinc/94/53/28/1041945328.db2.gz YMQDZMIGHRDFSF-GOSISDBHSA-N 1 2 353.470 2.543 20 30 FFEDLO C=CCN(c1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1C)C1CC1 ZINC001262901336 1041945336 /nfs/dbraw/zinc/94/53/36/1041945336.db2.gz YMQDZMIGHRDFSF-GOSISDBHSA-N 1 2 353.470 2.543 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1C ZINC001262916870 1041958213 /nfs/dbraw/zinc/95/82/13/1041958213.db2.gz XHFSTJIKRRAFHT-OALUTQOASA-N 1 2 367.497 2.934 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1C ZINC001262916870 1041958218 /nfs/dbraw/zinc/95/82/18/1041958218.db2.gz XHFSTJIKRRAFHT-OALUTQOASA-N 1 2 367.497 2.934 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@H](C)[C@H](C)[C@H]1C ZINC001262939642 1041976064 /nfs/dbraw/zinc/97/60/64/1041976064.db2.gz LLEUWTNONVVFRJ-AVEIZBFRSA-N 1 2 359.518 2.871 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@H](C)[C@H](C)[C@H]1C ZINC001262939642 1041976067 /nfs/dbraw/zinc/97/60/67/1041976067.db2.gz LLEUWTNONVVFRJ-AVEIZBFRSA-N 1 2 359.518 2.871 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC001262939643 1041976087 /nfs/dbraw/zinc/97/60/87/1041976087.db2.gz LLEUWTNONVVFRJ-RZFLPCETSA-N 1 2 359.518 2.871 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC001262939643 1041976092 /nfs/dbraw/zinc/97/60/92/1041976092.db2.gz LLEUWTNONVVFRJ-RZFLPCETSA-N 1 2 359.518 2.871 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC001262939645 1041976321 /nfs/dbraw/zinc/97/63/21/1041976321.db2.gz LLEUWTNONVVFRJ-TZNCUMHOSA-N 1 2 359.518 2.871 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC001262939645 1041976328 /nfs/dbraw/zinc/97/63/28/1041976328.db2.gz LLEUWTNONVVFRJ-TZNCUMHOSA-N 1 2 359.518 2.871 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1cccs1 ZINC001262941768 1041977879 /nfs/dbraw/zinc/97/78/79/1041977879.db2.gz TZTGRIXHHNMSDA-INIZCTEOSA-N 1 2 361.515 2.944 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1cccs1 ZINC001262941768 1041977884 /nfs/dbraw/zinc/97/78/84/1041977884.db2.gz TZTGRIXHHNMSDA-INIZCTEOSA-N 1 2 361.515 2.944 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC(CCC(C)C)CC1 ZINC001262947209 1041981887 /nfs/dbraw/zinc/98/18/87/1041981887.db2.gz HMGQPDYZWHYUSQ-QZTJIDSGSA-N 1 2 361.534 2.854 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC(CCC(C)C)CC1 ZINC001262947209 1041981892 /nfs/dbraw/zinc/98/18/92/1041981892.db2.gz HMGQPDYZWHYUSQ-QZTJIDSGSA-N 1 2 361.534 2.854 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H]1Cc1ccccc1 ZINC001262990735 1042014680 /nfs/dbraw/zinc/01/46/80/1042014680.db2.gz MOYVKGPMTPHBHM-GOSISDBHSA-N 1 2 362.481 3.000 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1C[C@@H](C)OC2(CCCCC2)C1 ZINC001262990617 1042015154 /nfs/dbraw/zinc/01/51/54/1042015154.db2.gz IKQXFHMMRPDEMK-MRXNPFEDSA-N 1 2 370.501 2.716 20 30 FFEDLO C=CCN1C(=O)C2(CC[NH+](Cc3nc(C)no3)CC2)[C@@H]1c1ccccc1 ZINC001276743337 1042063376 /nfs/dbraw/zinc/06/33/76/1042063376.db2.gz KISTYLFHCCPTJS-SFHVURJKSA-N 1 2 352.438 2.730 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001216810663 1042131396 /nfs/dbraw/zinc/13/13/96/1042131396.db2.gz VSOSNGNREAOUDV-AYOQOUSVSA-N 1 2 368.481 2.750 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C3CCCC3)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001263285894 1042220990 /nfs/dbraw/zinc/22/09/90/1042220990.db2.gz QTXQXFVTWYYMNB-BBTUJRGHSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C3CCCC3)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001263285894 1042220994 /nfs/dbraw/zinc/22/09/94/1042220994.db2.gz QTXQXFVTWYYMNB-BBTUJRGHSA-N 1 2 373.545 2.782 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC001263395442 1042279079 /nfs/dbraw/zinc/27/90/79/1042279079.db2.gz XPLOWGBATHVTMY-SQNIBIBYSA-N 1 2 374.533 2.844 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC001263395442 1042279081 /nfs/dbraw/zinc/27/90/81/1042279081.db2.gz XPLOWGBATHVTMY-SQNIBIBYSA-N 1 2 374.533 2.844 20 30 FFEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCSCC1 ZINC001263418710 1042296345 /nfs/dbraw/zinc/29/63/45/1042296345.db2.gz PCGIASOFQFFPQX-UHFFFAOYSA-N 1 2 362.547 2.580 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@H](C#N)C2)n1C[C@@H]1CCCCO1 ZINC001263603762 1042396927 /nfs/dbraw/zinc/39/69/27/1042396927.db2.gz NSZMSCQZHQSBIZ-FGTMMUONSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@H](C#N)C2)n1C[C@@H]1CCCCO1 ZINC001263603762 1042396933 /nfs/dbraw/zinc/39/69/33/1042396933.db2.gz NSZMSCQZHQSBIZ-FGTMMUONSA-N 1 2 372.517 2.744 20 30 FFEDLO CC(C)n1cc(C(=O)OCC#Cc2csc(C[NH+]3CCOCC3)c2)cn1 ZINC001263660957 1042424099 /nfs/dbraw/zinc/42/40/99/1042424099.db2.gz VNHSSMBIONIPFJ-UHFFFAOYSA-N 1 2 373.478 2.566 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1CC[N@H+](Cc2nc(C)c3ccccc3n2)[C@@H]1C ZINC001264176845 1042655080 /nfs/dbraw/zinc/65/50/80/1042655080.db2.gz QMHSZZKSWLPEPC-AEFFLSMTSA-N 1 2 368.481 2.610 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1CC[N@@H+](Cc2nc(C)c3ccccc3n2)[C@@H]1C ZINC001264176845 1042655082 /nfs/dbraw/zinc/65/50/82/1042655082.db2.gz QMHSZZKSWLPEPC-AEFFLSMTSA-N 1 2 368.481 2.610 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001264549635 1042711050 /nfs/dbraw/zinc/71/10/50/1042711050.db2.gz LXSHZZQCHLVRMT-CVEARBPZSA-N 1 2 360.502 2.743 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](CC(=C)Br)[C@@H]1CC ZINC001264602157 1042737344 /nfs/dbraw/zinc/73/73/44/1042737344.db2.gz GFRMVPKVLUTTNL-SOUVJXGZSA-N 1 2 359.308 2.845 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=C)Br)[C@@H]1CC ZINC001264602157 1042737348 /nfs/dbraw/zinc/73/73/48/1042737348.db2.gz GFRMVPKVLUTTNL-SOUVJXGZSA-N 1 2 359.308 2.845 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C(C)C)CC[C@@H]2C1 ZINC001264650014 1042768820 /nfs/dbraw/zinc/76/88/20/1042768820.db2.gz AOWLDKBKWNRXCD-KSZLIROESA-N 1 2 359.518 2.742 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C(C)C)CC[C@@H]2C1 ZINC001264650014 1042768824 /nfs/dbraw/zinc/76/88/24/1042768824.db2.gz AOWLDKBKWNRXCD-KSZLIROESA-N 1 2 359.518 2.742 20 30 FFEDLO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3)n2C)[C@@H]1C ZINC001264693638 1042781918 /nfs/dbraw/zinc/78/19/18/1042781918.db2.gz RWXNQQIWPFJTCD-WBVHZDCISA-N 1 2 353.470 2.527 20 30 FFEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3)n2C)[C@@H]1C ZINC001264693638 1042781920 /nfs/dbraw/zinc/78/19/20/1042781920.db2.gz RWXNQQIWPFJTCD-WBVHZDCISA-N 1 2 353.470 2.527 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)CCc2ccccn2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001264713853 1042795665 /nfs/dbraw/zinc/79/56/65/1042795665.db2.gz KSUUFLAPMXTYHT-QRWLVFNGSA-N 1 2 366.440 2.804 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)CCc2ccccn2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001264713853 1042795669 /nfs/dbraw/zinc/79/56/69/1042795669.db2.gz KSUUFLAPMXTYHT-QRWLVFNGSA-N 1 2 366.440 2.804 20 30 FFEDLO CSc1ccccc1C[NH+]1CC2(CCN2C(=O)C2(C#N)CCOCC2)C1 ZINC001279414344 1043079382 /nfs/dbraw/zinc/07/93/82/1043079382.db2.gz DLOTXLYMPXLEBJ-UHFFFAOYSA-N 1 2 371.506 2.516 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2cn(C)c3ccc(C#N)cc23)Cc2c1cnn2C ZINC001237468960 1043185037 /nfs/dbraw/zinc/18/50/37/1043185037.db2.gz REPHYOSEQBZKFP-QGZVFWFLSA-N 1 2 363.465 2.919 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)Cc2c1cnn2C ZINC001237468960 1043185048 /nfs/dbraw/zinc/18/50/48/1043185048.db2.gz REPHYOSEQBZKFP-QGZVFWFLSA-N 1 2 363.465 2.919 20 30 FFEDLO COc1ccc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)c(Cl)n1 ZINC001237797883 1043364262 /nfs/dbraw/zinc/36/42/62/1043364262.db2.gz UNUSROYOXWLEQK-UHFFFAOYSA-N 1 2 357.845 2.723 20 30 FFEDLO COc1ccc(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)c(Cl)n1 ZINC001237797883 1043364268 /nfs/dbraw/zinc/36/42/68/1043364268.db2.gz UNUSROYOXWLEQK-UHFFFAOYSA-N 1 2 357.845 2.723 20 30 FFEDLO Cc1cc(Cl)cc(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)n1 ZINC001279646169 1043393109 /nfs/dbraw/zinc/39/31/09/1043393109.db2.gz VRXHHZCOFKMCOQ-UHFFFAOYSA-N 1 2 355.873 2.571 20 30 FFEDLO CCn1ccnc1CN1CC[C@]2(C1)CCC[N@H+](Cc1[nH]ccc1C#N)C2 ZINC001279688947 1043471908 /nfs/dbraw/zinc/47/19/08/1043471908.db2.gz WOSVOVDQHKUECP-HXUWFJFHSA-N 1 2 352.486 2.591 20 30 FFEDLO CCn1ccnc1CN1CC[C@]2(C1)CCC[N@@H+](Cc1[nH]ccc1C#N)C2 ZINC001279688947 1043471915 /nfs/dbraw/zinc/47/19/15/1043471915.db2.gz WOSVOVDQHKUECP-HXUWFJFHSA-N 1 2 352.486 2.591 20 30 FFEDLO N#Cc1ccc(F)c(N2C[C@@H]3COC[C@H](C2)[N@@H+]3CCCC(F)(F)F)c1 ZINC001279766850 1043610772 /nfs/dbraw/zinc/61/07/72/1043610772.db2.gz CSBHCWNIFRGVRC-OKILXGFUSA-N 1 2 357.351 2.929 20 30 FFEDLO N#Cc1ccc(F)c(N2C[C@@H]3COC[C@H](C2)[N@H+]3CCCC(F)(F)F)c1 ZINC001279766850 1043610777 /nfs/dbraw/zinc/61/07/77/1043610777.db2.gz CSBHCWNIFRGVRC-OKILXGFUSA-N 1 2 357.351 2.929 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)Nc3cccc(C#N)c3)C2)cc1 ZINC001310076630 1043633198 /nfs/dbraw/zinc/63/31/98/1043633198.db2.gz NOQVUTOPGDFILV-FQEVSTJZSA-N 1 2 364.449 2.889 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)Nc3cccc(C#N)c3)C2)cc1 ZINC001310076630 1043633202 /nfs/dbraw/zinc/63/32/02/1043633202.db2.gz NOQVUTOPGDFILV-FQEVSTJZSA-N 1 2 364.449 2.889 20 30 FFEDLO N#CC1(NC(=O)c2ccc3c(n2)CC[N@@H+](Cc2ccsc2)C3)CCC1 ZINC001279782824 1043635841 /nfs/dbraw/zinc/63/58/41/1043635841.db2.gz MOTUULRNTLFADL-UHFFFAOYSA-N 1 2 352.463 2.877 20 30 FFEDLO N#CC1(NC(=O)c2ccc3c(n2)CC[N@H+](Cc2ccsc2)C3)CCC1 ZINC001279782824 1043635845 /nfs/dbraw/zinc/63/58/45/1043635845.db2.gz MOTUULRNTLFADL-UHFFFAOYSA-N 1 2 352.463 2.877 20 30 FFEDLO CCc1cc(C[NH+]2CC(N3CCN(c4ccccn4)CC3)C2)ccc1C#N ZINC001238768156 1043881348 /nfs/dbraw/zinc/88/13/48/1043881348.db2.gz GNXFWKFJKMLUFA-UHFFFAOYSA-N 1 2 361.493 2.522 20 30 FFEDLO C=CCCC(C)(C)NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001312046583 1044026533 /nfs/dbraw/zinc/02/65/33/1044026533.db2.gz KUMZUWOZZABSMH-IBGZPJMESA-N 1 2 359.514 2.974 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3ccc4c(ccnc4C#N)c3)cn2)CC1 ZINC001241567627 1044551419 /nfs/dbraw/zinc/55/14/19/1044551419.db2.gz DFGKZTAEDWBDRI-UHFFFAOYSA-N 1 2 372.476 2.828 20 30 FFEDLO C=CCCC(=O)N1C[C@@H]2C[N@@H+](Cc3noc(-c4ccoc4)n3)CC[C@@H]2C1 ZINC001316749242 1044893206 /nfs/dbraw/zinc/89/32/06/1044893206.db2.gz HTISSHKARGZIPW-ZBFHGGJFSA-N 1 2 356.426 2.576 20 30 FFEDLO C=CCCC(=O)N1C[C@@H]2C[N@H+](Cc3noc(-c4ccoc4)n3)CC[C@@H]2C1 ZINC001316749242 1044893217 /nfs/dbraw/zinc/89/32/17/1044893217.db2.gz HTISSHKARGZIPW-ZBFHGGJFSA-N 1 2 356.426 2.576 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2coc(-c3cccc(F)c3)n2)[C@@H]1C ZINC001316777970 1044935694 /nfs/dbraw/zinc/93/56/94/1044935694.db2.gz AXZPAYQCIOZVLL-XNJGSVPQSA-N 1 2 356.401 2.719 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)[C@@H]1C ZINC001316777970 1044935704 /nfs/dbraw/zinc/93/57/04/1044935704.db2.gz AXZPAYQCIOZVLL-XNJGSVPQSA-N 1 2 356.401 2.719 20 30 FFEDLO CCC[C@@H]1C[C@H]1C(=O)NC[C@@H]1c2ccccc2CC[N@H+]1CC#CCOC ZINC001281778283 1045113447 /nfs/dbraw/zinc/11/34/47/1045113447.db2.gz YJLFZQOOPGQDTO-HMXCVIKNSA-N 1 2 354.494 2.788 20 30 FFEDLO CCC[C@@H]1C[C@H]1C(=O)NC[C@@H]1c2ccccc2CC[N@@H+]1CC#CCOC ZINC001281778283 1045113449 /nfs/dbraw/zinc/11/34/49/1045113449.db2.gz YJLFZQOOPGQDTO-HMXCVIKNSA-N 1 2 354.494 2.788 20 30 FFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(CC#N)cc2)[C@@H]1c1ccc(F)cc1 ZINC001319571484 1045199453 /nfs/dbraw/zinc/19/94/53/1045199453.db2.gz HKQJSCSDRQEHFH-OALUTQOASA-N 1 2 373.453 2.615 20 30 FFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(CC#N)cc2)[C@@H]1c1ccc(F)cc1 ZINC001319571484 1045199456 /nfs/dbraw/zinc/19/94/56/1045199456.db2.gz HKQJSCSDRQEHFH-OALUTQOASA-N 1 2 373.453 2.615 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1 ZINC001320319664 1045389274 /nfs/dbraw/zinc/38/92/74/1045389274.db2.gz ARRFJZZGBJLNQG-GOSISDBHSA-N 1 2 366.465 2.965 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1 ZINC001320319664 1045389279 /nfs/dbraw/zinc/38/92/79/1045389279.db2.gz ARRFJZZGBJLNQG-GOSISDBHSA-N 1 2 366.465 2.965 20 30 FFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(CC#N)c2)[C@H]1c1ccc(F)cc1 ZINC001321080051 1045537131 /nfs/dbraw/zinc/53/71/31/1045537131.db2.gz VLKOWJHPJILUIK-RBUKOAKNSA-N 1 2 373.453 2.615 20 30 FFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2cccc(CC#N)c2)[C@H]1c1ccc(F)cc1 ZINC001321080051 1045537140 /nfs/dbraw/zinc/53/71/40/1045537140.db2.gz VLKOWJHPJILUIK-RBUKOAKNSA-N 1 2 373.453 2.615 20 30 FFEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)cc1F ZINC001324951942 1046305674 /nfs/dbraw/zinc/30/56/74/1046305674.db2.gz ZWDZGVXBQYYKCU-IBGZPJMESA-N 1 2 352.413 2.763 20 30 FFEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)cc1F ZINC001324951942 1046305689 /nfs/dbraw/zinc/30/56/89/1046305689.db2.gz ZWDZGVXBQYYKCU-IBGZPJMESA-N 1 2 352.413 2.763 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(-c2ccccn2)n1CCCNc1cccc[nH+]1 ZINC001286287947 1047064477 /nfs/dbraw/zinc/06/44/77/1047064477.db2.gz QBZXHGRGBXUYPO-MRXNPFEDSA-N 1 2 361.453 2.695 20 30 FFEDLO C#CCN(CC#CC)c1nnc(C2CCC2)n1CCCNc1cccc[nH+]1 ZINC001286428180 1047106132 /nfs/dbraw/zinc/10/61/32/1047106132.db2.gz BFHPGRXRRRSXEE-UHFFFAOYSA-N 1 2 362.481 2.906 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CC2(CCOC)CCCC2)CC1 ZINC001286469200 1047119419 /nfs/dbraw/zinc/11/94/19/1047119419.db2.gz BPEKJEGXBKBHOQ-UHFFFAOYSA-N 1 2 373.545 2.754 20 30 FFEDLO C=CCCCC(=O)N[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC001288229365 1047426776 /nfs/dbraw/zinc/42/67/76/1047426776.db2.gz LSQNCFSQHBCERH-INMHGKMJSA-N 1 2 360.502 2.527 20 30 FFEDLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(F)(F)c2ccccc2C#N)C[C@@H](C)O1 ZINC001540612360 1070947534 /nfs/dbraw/zinc/94/75/34/1070947534.db2.gz YKEOLVHFXSOQRG-ZIAGYGMSSA-N 1 2 365.424 2.654 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001290665614 1048293073 /nfs/dbraw/zinc/29/30/73/1048293073.db2.gz ZNWQJTWCQXILML-FMKPAKJESA-N 1 2 354.454 2.884 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(F)(F)c2ccccc2C#N)C1 ZINC001333113012 1048718126 /nfs/dbraw/zinc/71/81/26/1048718126.db2.gz ZKWAOQWYAOBSTC-AWEZNQCLSA-N 1 2 358.392 2.865 20 30 FFEDLO N#Cc1ccc2[nH]c(NC(=O)[C@H]3CCCC[N@@H+]3Cc3cccnc3)nc2c1 ZINC001329652191 1048833493 /nfs/dbraw/zinc/83/34/93/1048833493.db2.gz SGEPKVUUGYZJDA-GOSISDBHSA-N 1 2 360.421 2.823 20 30 FFEDLO N#Cc1ccc2[nH]c(NC(=O)[C@H]3CCCC[N@H+]3Cc3cccnc3)nc2c1 ZINC001329652191 1048833514 /nfs/dbraw/zinc/83/35/14/1048833514.db2.gz SGEPKVUUGYZJDA-GOSISDBHSA-N 1 2 360.421 2.823 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1N(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001291728261 1048874809 /nfs/dbraw/zinc/87/48/09/1048874809.db2.gz LXCMQLWESGLVIM-BONWFUQQSA-N 1 2 370.497 2.613 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1N(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001291728261 1048874835 /nfs/dbraw/zinc/87/48/35/1048874835.db2.gz LXCMQLWESGLVIM-BONWFUQQSA-N 1 2 370.497 2.613 20 30 FFEDLO C#CCCCOc1cccnc1N1CCC[N@@H+](Cc2cc(C)on2)CC1 ZINC001333671219 1049043945 /nfs/dbraw/zinc/04/39/45/1049043945.db2.gz DECHNTDCZWOTBU-UHFFFAOYSA-N 1 2 354.454 2.883 20 30 FFEDLO C#CCCCOc1cccnc1N1CCC[N@H+](Cc2cc(C)on2)CC1 ZINC001333671219 1049043958 /nfs/dbraw/zinc/04/39/58/1049043958.db2.gz DECHNTDCZWOTBU-UHFFFAOYSA-N 1 2 354.454 2.883 20 30 FFEDLO CC[C@@H]1[C@H](C)CCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CCOC ZINC001341570836 1050198099 /nfs/dbraw/zinc/19/80/99/1050198099.db2.gz JCXSDXIZMWWUSF-SJLPKXTDSA-N 1 2 374.533 2.642 20 30 FFEDLO C=C1CCN(c2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2C)CC1 ZINC001339902531 1050317834 /nfs/dbraw/zinc/31/78/34/1050317834.db2.gz HHBHYQFZWCTMGH-SFHVURJKSA-N 1 2 353.470 2.545 20 30 FFEDLO C=C1CCN(c2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2C)CC1 ZINC001339902531 1050317848 /nfs/dbraw/zinc/31/78/48/1050317848.db2.gz HHBHYQFZWCTMGH-SFHVURJKSA-N 1 2 353.470 2.545 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCn2nc(C3CC3)cc2C1 ZINC001341750558 1050367177 /nfs/dbraw/zinc/36/71/77/1050367177.db2.gz RXNISKYZJDABMX-UHFFFAOYSA-N 1 2 367.501 2.544 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1ccc(F)cc1 ZINC001341756113 1050372928 /nfs/dbraw/zinc/37/29/28/1050372928.db2.gz ONJHMQYYMSCGSU-UHFFFAOYSA-N 1 2 354.433 2.954 20 30 FFEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001298754669 1050522938 /nfs/dbraw/zinc/52/29/38/1050522938.db2.gz FEEWOURAHZMYHB-UHFFFAOYSA-N 1 2 374.444 2.962 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)CCC(F)(F)F ZINC001340195787 1050604074 /nfs/dbraw/zinc/60/40/74/1050604074.db2.gz OZLDCJHPQGHDEJ-UONOGXRCSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)CCC(F)(F)F ZINC001340195787 1050604082 /nfs/dbraw/zinc/60/40/82/1050604082.db2.gz OZLDCJHPQGHDEJ-UONOGXRCSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(F)(F)CC1 ZINC001340195511 1050604340 /nfs/dbraw/zinc/60/43/40/1050604340.db2.gz MBOOMEPHNDCYFC-HUUCEWRRSA-N 1 2 367.444 2.625 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(F)(F)CC1 ZINC001340195511 1050604344 /nfs/dbraw/zinc/60/43/44/1050604344.db2.gz MBOOMEPHNDCYFC-HUUCEWRRSA-N 1 2 367.444 2.625 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001340206318 1050614716 /nfs/dbraw/zinc/61/47/16/1050614716.db2.gz YWVCTPHJHPJDIM-QZTJIDSGSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001340206318 1050614723 /nfs/dbraw/zinc/61/47/23/1050614723.db2.gz YWVCTPHJHPJDIM-QZTJIDSGSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001340258410 1050664490 /nfs/dbraw/zinc/66/44/90/1050664490.db2.gz JFCGKPWSVYYDEI-QGWWYQLQSA-N 1 2 365.481 2.640 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001340258410 1050664497 /nfs/dbraw/zinc/66/44/97/1050664497.db2.gz JFCGKPWSVYYDEI-QGWWYQLQSA-N 1 2 365.481 2.640 20 30 FFEDLO C=CCn1c(N2CC[NH+](Cc3cccc(F)c3)CC2)nnc1[C@](C)(O)CC ZINC001342212203 1050803559 /nfs/dbraw/zinc/80/35/59/1050803559.db2.gz RRPLLEAFDCMMGI-HXUWFJFHSA-N 1 2 373.476 2.543 20 30 FFEDLO C=C(C)Cn1c([C@H](Cc2c[nH]c[nH+]2)NC(C)=O)nnc1N(C)[C@@H](C)CCC ZINC001342318652 1050913823 /nfs/dbraw/zinc/91/38/23/1050913823.db2.gz UTABJNYDEROPPW-YOEHRIQHSA-N 1 2 373.505 2.622 20 30 FFEDLO C=C(C)Cn1c([C@H](Cc2c[nH+]c[nH]2)NC(C)=O)nnc1N(C)[C@@H](C)CCC ZINC001342318652 1050913835 /nfs/dbraw/zinc/91/38/35/1050913835.db2.gz UTABJNYDEROPPW-YOEHRIQHSA-N 1 2 373.505 2.622 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@H](C#N)C1 ZINC001342343803 1050938739 /nfs/dbraw/zinc/93/87/39/1050938739.db2.gz LKGLLAPCEKLAIW-KURKYZTESA-N 1 2 370.501 2.520 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@H](C#N)C1 ZINC001342343803 1050938751 /nfs/dbraw/zinc/93/87/51/1050938751.db2.gz LKGLLAPCEKLAIW-KURKYZTESA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCCc2ccccc2CC1 ZINC001340594823 1050981310 /nfs/dbraw/zinc/98/13/10/1050981310.db2.gz UXVCJUZZISOUOF-UHFFFAOYSA-N 1 2 362.481 2.784 20 30 FFEDLO C=CCn1c(N2Cc3ccc(Cl)cc3C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001340701530 1051066274 /nfs/dbraw/zinc/06/62/74/1051066274.db2.gz MWJYKUYOFXNZPB-QFBILLFUSA-N 1 2 373.888 2.549 20 30 FFEDLO C=CCn1c(N2Cc3ccc(Cl)cc3C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001340701530 1051066278 /nfs/dbraw/zinc/06/62/78/1051066278.db2.gz MWJYKUYOFXNZPB-QFBILLFUSA-N 1 2 373.888 2.549 20 30 FFEDLO C=CCn1c(N(C)c2cccc(C)c2C)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001340703090 1051067756 /nfs/dbraw/zinc/06/77/56/1051067756.db2.gz UVYNABSOHXNWLW-JXFKEZNVSA-N 1 2 355.486 2.760 20 30 FFEDLO C=CCn1c(N(C)c2cccc(C)c2C)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001340703090 1051067763 /nfs/dbraw/zinc/06/77/63/1051067763.db2.gz UVYNABSOHXNWLW-JXFKEZNVSA-N 1 2 355.486 2.760 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC001340732918 1051091739 /nfs/dbraw/zinc/09/17/39/1051091739.db2.gz KUUQACPBDWLRHL-IAGOWNOFSA-N 1 2 370.501 2.574 20 30 FFEDLO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C#N)c(O)c3)cc2F)CC1 ZINC001302857355 1051216400 /nfs/dbraw/zinc/21/64/00/1051216400.db2.gz CZBVGNNWRRRXHX-UHFFFAOYSA-N 1 2 368.412 2.797 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCOC2(CCCC2)C1 ZINC001342685495 1051296724 /nfs/dbraw/zinc/29/67/24/1051296724.db2.gz KCHBWHKTPPKQLO-UHFFFAOYSA-N 1 2 372.517 2.540 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H](CCF)C1 ZINC001342685840 1051297709 /nfs/dbraw/zinc/29/77/09/1051297709.db2.gz NQNGNJAHVJYPDJ-INIZCTEOSA-N 1 2 362.497 2.967 20 30 FFEDLO Cc1cc(C)c(C(=O)N2C[C@@H]3CCN(C(=O)C#CC(C)(C)C)[C@@H]3C2)c(C)[nH+]1 ZINC001341009499 1051347234 /nfs/dbraw/zinc/34/72/34/1051347234.db2.gz TXXHISFXJUDNTO-ZWKOTPCHSA-N 1 2 367.493 2.729 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC(C)C ZINC001342805546 1051414534 /nfs/dbraw/zinc/41/45/34/1051414534.db2.gz WCVAQMRQSJJVHV-QYZOEREBSA-N 1 2 371.529 2.852 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC(C)C ZINC001342805546 1051414544 /nfs/dbraw/zinc/41/45/44/1051414544.db2.gz WCVAQMRQSJJVHV-QYZOEREBSA-N 1 2 371.529 2.852 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H](C)COC)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001316731678 1051485618 /nfs/dbraw/zinc/48/56/18/1051485618.db2.gz NMIPZPSRFUWTNT-AYOQOUSVSA-N 1 2 362.901 2.943 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H](C)COC)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001316731678 1051485624 /nfs/dbraw/zinc/48/56/24/1051485624.db2.gz NMIPZPSRFUWTNT-AYOQOUSVSA-N 1 2 362.901 2.943 20 30 FFEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)C[C@H](C)C#N ZINC001343013161 1051629955 /nfs/dbraw/zinc/62/99/55/1051629955.db2.gz UIAIRAXKFGXUMX-MRXNPFEDSA-N 1 2 357.506 2.623 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)CSc2ccccc2Br)CC1 ZINC001542570598 1071257202 /nfs/dbraw/zinc/25/72/02/1071257202.db2.gz VDVCVWCKJYSYCF-UHFFFAOYSA-N 1 2 367.312 2.709 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc([C@@]2(C)C[C@H](O)C[N@H+]2C)n1CC(=C)C ZINC001343287196 1052135959 /nfs/dbraw/zinc/13/59/59/1052135959.db2.gz IQVCUJAIVVELCL-FUHIMQAGSA-N 1 2 359.518 2.701 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc([C@@]2(C)C[C@H](O)C[N@@H+]2C)n1CC(=C)C ZINC001343287196 1052135964 /nfs/dbraw/zinc/13/59/64/1052135964.db2.gz IQVCUJAIVVELCL-FUHIMQAGSA-N 1 2 359.518 2.701 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC001343457016 1052244283 /nfs/dbraw/zinc/24/42/83/1052244283.db2.gz KWNOYWYNHRDNTM-MRXNPFEDSA-N 1 2 371.485 2.972 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC001343457016 1052244289 /nfs/dbraw/zinc/24/42/89/1052244289.db2.gz KWNOYWYNHRDNTM-MRXNPFEDSA-N 1 2 371.485 2.972 20 30 FFEDLO CCn1ccc(Nc2nnc(C3CC[NH+](CCC#N)CC3)n2CC(C)C)n1 ZINC001345110665 1052264469 /nfs/dbraw/zinc/26/44/69/1052264469.db2.gz OLNDHUFGJVLBGM-UHFFFAOYSA-N 1 2 370.505 2.987 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)OCCc1cn2c([nH+]1)CCCC2 ZINC001343659620 1052361405 /nfs/dbraw/zinc/36/14/05/1052361405.db2.gz RNDQVBAJDHSJQW-UHFFFAOYSA-N 1 2 369.469 2.665 20 30 FFEDLO COc1cc([C@H](C)[NH2+]Cc2ccc(F)cc2C#N)ccc1S(C)(=O)=O ZINC001308168898 1052424257 /nfs/dbraw/zinc/42/42/57/1052424257.db2.gz VLNJKWVRJSGMJX-LBPRGKRZSA-N 1 2 362.426 2.960 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2CCCOCC)C1 ZINC001343861120 1052456669 /nfs/dbraw/zinc/45/66/69/1052456669.db2.gz DEQQMYVZADNMRU-LJQANCHMSA-N 1 2 373.545 2.930 20 30 FFEDLO C#CCN(CC)c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1C[C@H]1CCOC1 ZINC001345566918 1052515209 /nfs/dbraw/zinc/51/52/09/1052515209.db2.gz JHIGWOXKPXKFMB-QZTJIDSGSA-N 1 2 370.501 2.606 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001344095038 1052592670 /nfs/dbraw/zinc/59/26/70/1052592670.db2.gz TWSUBFVTFZVAON-HZPDHXFCSA-N 1 2 366.465 2.541 20 30 FFEDLO CN(c1nnc([C@H]2CCCC[N@@H+]2C)n1C[C@@H]1CCOC1)[C@@H]1CCC[C@H]1C#N ZINC001344106409 1052599834 /nfs/dbraw/zinc/59/98/34/1052599834.db2.gz GMUNBPCKUHLZBH-WNRNVDISSA-N 1 2 372.517 2.600 20 30 FFEDLO CN(c1nnc([C@H]2CCCC[N@H+]2C)n1C[C@@H]1CCOC1)[C@@H]1CCC[C@H]1C#N ZINC001344106409 1052599841 /nfs/dbraw/zinc/59/98/41/1052599841.db2.gz GMUNBPCKUHLZBH-WNRNVDISSA-N 1 2 372.517 2.600 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2CCC[C@@H](CC#N)C2)n1C[C@@H]1CCCCO1 ZINC001345792410 1052614035 /nfs/dbraw/zinc/61/40/35/1052614035.db2.gz KDLVAGZJCLECTR-OKZBNKHCSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2CCC[C@@H](CC#N)C2)n1C[C@@H]1CCCCO1 ZINC001345792410 1052614037 /nfs/dbraw/zinc/61/40/37/1052614037.db2.gz KDLVAGZJCLECTR-OKZBNKHCSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2CCC[C@H](CC#N)C2)n1C[C@H]1CCCCO1 ZINC001345792407 1052614215 /nfs/dbraw/zinc/61/42/15/1052614215.db2.gz KDLVAGZJCLECTR-KZNAEPCWSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2CCC[C@H](CC#N)C2)n1C[C@H]1CCCCO1 ZINC001345792407 1052614217 /nfs/dbraw/zinc/61/42/17/1052614217.db2.gz KDLVAGZJCLECTR-KZNAEPCWSA-N 1 2 372.517 2.744 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001344278687 1052678512 /nfs/dbraw/zinc/67/85/12/1052678512.db2.gz FPSWIMXLIIJEOF-IXDOHACOSA-N 1 2 360.502 2.838 20 30 FFEDLO N#CCCn1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)n1 ZINC001345977612 1052692764 /nfs/dbraw/zinc/69/27/64/1052692764.db2.gz FRJMHUQZFDSPEY-KRWDZBQOSA-N 1 2 355.417 2.929 20 30 FFEDLO N#CCCn1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)n1 ZINC001345977612 1052692765 /nfs/dbraw/zinc/69/27/65/1052692765.db2.gz FRJMHUQZFDSPEY-KRWDZBQOSA-N 1 2 355.417 2.929 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCN(C)c2ccccc2C1 ZINC001345984209 1052695350 /nfs/dbraw/zinc/69/53/50/1052695350.db2.gz RMTRETAAEFQUAC-UHFFFAOYSA-N 1 2 366.513 2.906 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[C@@](OC)(C(F)(F)F)C1 ZINC001345983905 1052695634 /nfs/dbraw/zinc/69/56/34/1052695634.db2.gz IFWWUDARBRPRNC-INIZCTEOSA-N 1 2 373.423 2.608 20 30 FFEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H](C#N)C1 ZINC001344489753 1052797939 /nfs/dbraw/zinc/79/79/39/1052797939.db2.gz MSKNVKQJWDEEAE-QGZVFWFLSA-N 1 2 369.517 2.767 20 30 FFEDLO N#CCC[NH+]1CCC(c2nnc(N3CCC(F)(F)C3)n2CC2CC2)CC1 ZINC001346601715 1053145421 /nfs/dbraw/zinc/14/54/21/1053145421.db2.gz HFURRIFTEQZULP-UHFFFAOYSA-N 1 2 364.444 2.627 20 30 FFEDLO C=CCN(CC=C)c1nnc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC(=C)C ZINC001346647599 1053182531 /nfs/dbraw/zinc/18/25/31/1053182531.db2.gz VYTNUKYGRDQBBR-MSOLQXFVSA-N 1 2 357.502 2.958 20 30 FFEDLO C=CCN(CC=C)c1nnc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC(=C)C ZINC001346647599 1053182536 /nfs/dbraw/zinc/18/25/36/1053182536.db2.gz VYTNUKYGRDQBBR-MSOLQXFVSA-N 1 2 357.502 2.958 20 30 FFEDLO C=CCN(c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1)C1CC1 ZINC001346862456 1053389016 /nfs/dbraw/zinc/38/90/16/1053389016.db2.gz XLSWPNFGQORGBL-UHFFFAOYSA-N 1 2 354.502 2.936 20 30 FFEDLO Cc1cc(Cn2c([C@H]3CCCC[N@H+]3C)nnc2N2CCC(C#N)CC2)no1 ZINC001346925936 1053450435 /nfs/dbraw/zinc/45/04/35/1053450435.db2.gz JXMFBBVJDHVGGN-QGZVFWFLSA-N 1 2 369.473 2.520 20 30 FFEDLO Cc1cc(Cn2c([C@H]3CCCC[N@@H+]3C)nnc2N2CCC(C#N)CC2)no1 ZINC001346925936 1053450437 /nfs/dbraw/zinc/45/04/37/1053450437.db2.gz JXMFBBVJDHVGGN-QGZVFWFLSA-N 1 2 369.473 2.520 20 30 FFEDLO Cc1cc(C)n2ccc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2n1 ZINC001336036803 1053723350 /nfs/dbraw/zinc/72/33/50/1053723350.db2.gz QCFUNVNYFLEHOW-UHFFFAOYSA-N 1 2 373.460 2.781 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001336446988 1053995963 /nfs/dbraw/zinc/99/59/63/1053995963.db2.gz MROXNSJBPILBHJ-QZTJIDSGSA-N 1 2 370.497 2.731 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001336446988 1053995973 /nfs/dbraw/zinc/99/59/73/1053995973.db2.gz MROXNSJBPILBHJ-QZTJIDSGSA-N 1 2 370.497 2.731 20 30 FFEDLO CCNc1cc(CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc[nH+]1 ZINC001347913388 1054452997 /nfs/dbraw/zinc/45/29/97/1054452997.db2.gz BQFNTWVGKRIMNI-SFHVURJKSA-N 1 2 365.437 2.668 20 30 FFEDLO O=C(CCc1ccccn1)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001347949530 1054492004 /nfs/dbraw/zinc/49/20/04/1054492004.db2.gz XQXLUZFIKLGSLY-UHFFFAOYSA-N 1 2 370.474 2.503 20 30 FFEDLO Cc1cc(C)c(C(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)[C@@H](C)C#N)C2)c(C)[nH+]1 ZINC001348130121 1054676897 /nfs/dbraw/zinc/67/68/97/1054676897.db2.gz BCANUEUSNCELRJ-LFRPXUGBSA-N 1 2 368.481 2.525 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)CCCSC ZINC001351534607 1054888040 /nfs/dbraw/zinc/88/80/40/1054888040.db2.gz JKIWMMVGPJTJAR-JKSUJKDBSA-N 1 2 365.547 2.579 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)CCCSC ZINC001351534607 1054888048 /nfs/dbraw/zinc/88/80/48/1054888048.db2.gz JKIWMMVGPJTJAR-JKSUJKDBSA-N 1 2 365.547 2.579 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H](OCC2CC2)C1 ZINC001351657267 1054941291 /nfs/dbraw/zinc/94/12/91/1054941291.db2.gz TUDIVPJXKWTKEN-GOSISDBHSA-N 1 2 359.518 2.845 20 30 FFEDLO C=CCn1c(N2CCC[C@H](CC(C)C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001352062550 1055163260 /nfs/dbraw/zinc/16/32/60/1055163260.db2.gz ICIIRWOJVGBODE-FUHIMQAGSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC[C@H](CC(C)C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001352062550 1055163264 /nfs/dbraw/zinc/16/32/64/1055163264.db2.gz ICIIRWOJVGBODE-FUHIMQAGSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC[C@H](CC(C)C)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001352062553 1055163826 /nfs/dbraw/zinc/16/38/26/1055163826.db2.gz ICIIRWOJVGBODE-UWVAXJGDSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC[C@H](CC(C)C)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001352062553 1055163831 /nfs/dbraw/zinc/16/38/31/1055163831.db2.gz ICIIRWOJVGBODE-UWVAXJGDSA-N 1 2 361.534 2.638 20 30 FFEDLO CCSCC[C@H](C)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001338138402 1055263407 /nfs/dbraw/zinc/26/34/07/1055263407.db2.gz KXXNKKYIMVEKFX-HNNXBMFYSA-N 1 2 364.563 2.876 20 30 FFEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@H](OC)C1 ZINC001356076033 1055268708 /nfs/dbraw/zinc/26/87/08/1055268708.db2.gz UBZGIZKIURHTAQ-WMZOPIPTSA-N 1 2 355.486 2.882 20 30 FFEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@H](OC)C1 ZINC001356076033 1055268715 /nfs/dbraw/zinc/26/87/15/1055268715.db2.gz UBZGIZKIURHTAQ-WMZOPIPTSA-N 1 2 355.486 2.882 20 30 FFEDLO C=C(C)C[C@@H](NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)C(=O)OC ZINC000601787187 1055429339 /nfs/dbraw/zinc/42/93/39/1055429339.db2.gz KNDVJOGQWXTBSG-QGZVFWFLSA-N 1 2 368.437 2.635 20 30 FFEDLO O=C(/C=C\c1ccc[nH]1)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001350311772 1055718628 /nfs/dbraw/zinc/71/86/28/1055718628.db2.gz PFSNOEIGDREIHA-WAYWQWQTSA-N 1 2 356.447 2.517 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@H](CF)C1 ZINC001357152264 1055797802 /nfs/dbraw/zinc/79/78/02/1055797802.db2.gz JXQQSJULNLDITC-IRXDYDNUSA-N 1 2 365.497 2.822 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@H](CF)C1 ZINC001357152264 1055797807 /nfs/dbraw/zinc/79/78/07/1055797807.db2.gz JXQQSJULNLDITC-IRXDYDNUSA-N 1 2 365.497 2.822 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC001338839705 1055860378 /nfs/dbraw/zinc/86/03/78/1055860378.db2.gz FZOZQFFMPKZODG-MHORFTMASA-N 1 2 370.501 2.518 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC001338839705 1055860389 /nfs/dbraw/zinc/86/03/89/1055860389.db2.gz FZOZQFFMPKZODG-MHORFTMASA-N 1 2 370.501 2.518 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC001338839707 1055861252 /nfs/dbraw/zinc/86/12/52/1055861252.db2.gz FZOZQFFMPKZODG-MLHJIOFPSA-N 1 2 370.501 2.518 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC001338839707 1055861257 /nfs/dbraw/zinc/86/12/57/1055861257.db2.gz FZOZQFFMPKZODG-MLHJIOFPSA-N 1 2 370.501 2.518 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCCC(F)(F)CC1 ZINC001338850546 1055870909 /nfs/dbraw/zinc/87/09/09/1055870909.db2.gz DDWFQHDSAHMASS-HNNXBMFYSA-N 1 2 369.460 2.871 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCCC(F)(F)CC1 ZINC001338850546 1055870914 /nfs/dbraw/zinc/87/09/14/1055870914.db2.gz DDWFQHDSAHMASS-HNNXBMFYSA-N 1 2 369.460 2.871 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](CC)OCC)n2Cc2ccccc2)CC1 ZINC001357838424 1056033250 /nfs/dbraw/zinc/03/32/50/1056033250.db2.gz YQHHNAICZDFYHS-IBGZPJMESA-N 1 2 367.497 2.569 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCCC(F)(F)C1 ZINC001339368690 1056382475 /nfs/dbraw/zinc/38/24/75/1056382475.db2.gz UBPMFXAIVLNSPB-UHFFFAOYSA-N 1 2 352.433 2.627 20 30 FFEDLO C=CCn1c(-c2ccsc2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001339407478 1056422290 /nfs/dbraw/zinc/42/22/90/1056422290.db2.gz SPWALKLOGIFBCX-UHFFFAOYSA-N 1 2 366.494 2.910 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1ccccc1O ZINC001339486105 1056502586 /nfs/dbraw/zinc/50/25/86/1056502586.db2.gz QLKANCDGEZKAPN-GOSISDBHSA-N 1 2 371.485 2.588 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1ccccc1O ZINC001339486105 1056502601 /nfs/dbraw/zinc/50/26/01/1056502601.db2.gz QLKANCDGEZKAPN-GOSISDBHSA-N 1 2 371.485 2.588 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCS[C@H](CC)C1 ZINC001339486125 1056502645 /nfs/dbraw/zinc/50/26/45/1056502645.db2.gz QQTWMKNQRVYBNY-HZPDHXFCSA-N 1 2 365.547 2.578 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCS[C@H](CC)C1 ZINC001339486125 1056502661 /nfs/dbraw/zinc/50/26/61/1056502661.db2.gz QQTWMKNQRVYBNY-HZPDHXFCSA-N 1 2 365.547 2.578 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CCCNc1cccc[nH+]1 ZINC001358888661 1056583134 /nfs/dbraw/zinc/58/31/34/1056583134.db2.gz QCFFPRJDXULTGM-SJORKVTESA-N 1 2 368.485 2.875 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@H](CC(C)C)C1 ZINC001339606035 1056629524 /nfs/dbraw/zinc/62/95/24/1056629524.db2.gz FHUJRKVSWPATNH-GOSISDBHSA-N 1 2 361.534 2.541 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(C)C)CC1 ZINC001359032820 1056665755 /nfs/dbraw/zinc/66/57/55/1056665755.db2.gz DOEXWNHCJSIXSZ-UHFFFAOYSA-N 1 2 362.481 2.618 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3C)n2[C@@H]2C[C@H]2CF)CC1 ZINC001359033969 1056667152 /nfs/dbraw/zinc/66/71/52/1056667152.db2.gz XIDPUQWARMRVGG-FUHWJXTLSA-N 1 2 353.445 2.539 20 30 FFEDLO N#Cc1ccc(CCOC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000849725697 1056978265 /nfs/dbraw/zinc/97/82/65/1056978265.db2.gz FQKVWESVWYNULQ-OAQYLSRUSA-N 1 2 364.445 2.842 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H](C#N)CCc2ccccc2)C1 ZINC001445621439 1058425579 /nfs/dbraw/zinc/42/55/79/1058425579.db2.gz ARPCZLPEKIQOMZ-RBUKOAKNSA-N 1 2 350.466 2.974 20 30 FFEDLO N#Cc1ccc(F)c(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001354414291 1058969530 /nfs/dbraw/zinc/96/95/30/1058969530.db2.gz AAMKRJZEKIFPLU-UHFFFAOYSA-N 1 2 365.324 2.721 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@@H](C)[N@H+](C)Cc2ccccc2)n1CCOC ZINC001514680316 1059051370 /nfs/dbraw/zinc/05/13/70/1059051370.db2.gz KLXGQXKXJZNRGM-IAGOWNOFSA-N 1 2 355.486 2.575 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@@H](C)[N@@H+](C)Cc2ccccc2)n1CCOC ZINC001514680316 1059051391 /nfs/dbraw/zinc/05/13/91/1059051391.db2.gz KLXGQXKXJZNRGM-IAGOWNOFSA-N 1 2 355.486 2.575 20 30 FFEDLO COc1cc[nH+]cc1Cn1c(C2CC2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001504457238 1059182686 /nfs/dbraw/zinc/18/26/86/1059182686.db2.gz KGXGKDZUEYSVDP-IBGZPJMESA-N 1 2 352.442 2.737 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CCc2cccc(F)c2)CC1 ZINC001300681760 1059312955 /nfs/dbraw/zinc/31/29/55/1059312955.db2.gz BDWGYMAYIPGCJJ-UHFFFAOYSA-N 1 2 369.488 2.713 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)CC)CC1 ZINC001300693075 1059366913 /nfs/dbraw/zinc/36/69/13/1059366913.db2.gz RIZUPOVKRZBDJC-UHFFFAOYSA-N 1 2 352.486 2.532 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccnc3)n2CCCC(C)(C)C)CC1 ZINC001300696194 1059382204 /nfs/dbraw/zinc/38/22/04/1059382204.db2.gz VIUWUAGFSFDSGW-UHFFFAOYSA-N 1 2 366.513 2.922 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCCC(F)(F)C1 ZINC001520243824 1059529396 /nfs/dbraw/zinc/52/93/96/1059529396.db2.gz DDZHNVFEWWHTEW-LSDHHAIUSA-N 1 2 367.444 2.625 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCCC(F)(F)C1 ZINC001520243824 1059529414 /nfs/dbraw/zinc/52/94/14/1059529414.db2.gz DDZHNVFEWWHTEW-LSDHHAIUSA-N 1 2 367.444 2.625 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(CCO)Cc1ccccc1 ZINC001520305186 1059590659 /nfs/dbraw/zinc/59/06/59/1059590659.db2.gz IIRAPTBWORFHBR-GOSISDBHSA-N 1 2 355.486 2.620 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(CCO)Cc1ccccc1 ZINC001520305186 1059590674 /nfs/dbraw/zinc/59/06/74/1059590674.db2.gz IIRAPTBWORFHBR-GOSISDBHSA-N 1 2 355.486 2.620 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@](C)(C(F)(F)F)C1 ZINC001520305162 1059590771 /nfs/dbraw/zinc/59/07/71/1059590771.db2.gz HRPLWSUTJXDPTJ-CZUORRHYSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@](C)(C(F)(F)F)C1 ZINC001520305162 1059590786 /nfs/dbraw/zinc/59/07/86/1059590786.db2.gz HRPLWSUTJXDPTJ-CZUORRHYSA-N 1 2 373.423 2.779 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(CC)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001507536773 1059628721 /nfs/dbraw/zinc/62/87/21/1059628721.db2.gz QMZZYRLJSXNPQU-INIZCTEOSA-N 1 2 352.486 2.732 20 30 FFEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC(C)(OC)C1 ZINC001520496178 1059733223 /nfs/dbraw/zinc/73/32/23/1059733223.db2.gz DIOZAAZGHQEGFH-INIZCTEOSA-N 1 2 355.486 2.882 20 30 FFEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC(C)(OC)C1 ZINC001520496178 1059733238 /nfs/dbraw/zinc/73/32/38/1059733238.db2.gz DIOZAAZGHQEGFH-INIZCTEOSA-N 1 2 355.486 2.882 20 30 FFEDLO CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001521008882 1060303917 /nfs/dbraw/zinc/30/39/17/1060303917.db2.gz YWKKUEBUCFDCHT-UHFFFAOYSA-N 1 2 373.464 2.860 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1ccoc1C ZINC001355887363 1060696388 /nfs/dbraw/zinc/69/63/88/1060696388.db2.gz WVYZJMCWSLNHEE-QGZVFWFLSA-N 1 2 359.474 2.784 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1ccoc1C ZINC001355887363 1060696392 /nfs/dbraw/zinc/69/63/92/1060696392.db2.gz WVYZJMCWSLNHEE-QGZVFWFLSA-N 1 2 359.474 2.784 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@H]1c1cccc(F)c1 ZINC001355919763 1060727221 /nfs/dbraw/zinc/72/72/21/1060727221.db2.gz LGOSWTDAYMLARU-BZSNNMDCSA-N 1 2 371.460 2.682 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@H]1c1cccc(F)c1 ZINC001355919763 1060727238 /nfs/dbraw/zinc/72/72/38/1060727238.db2.gz LGOSWTDAYMLARU-BZSNNMDCSA-N 1 2 371.460 2.682 20 30 FFEDLO C[C@H](C#N)N(C)C(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001460493376 1061004825 /nfs/dbraw/zinc/00/48/25/1061004825.db2.gz BQOFCMPMWDSLQJ-DOMZBBRYSA-N 1 2 350.260 2.956 20 30 FFEDLO CC(C)c1[nH]cc(CNS(=O)(=O)c2ccc(CC#N)cc2Cl)[nH+]1 ZINC001475723450 1061235573 /nfs/dbraw/zinc/23/55/73/1061235573.db2.gz HOFFOVFLAMDKKN-UHFFFAOYSA-N 1 2 352.847 2.731 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3ccc(C)c(C#N)c3)C2)c1 ZINC001462229147 1061544810 /nfs/dbraw/zinc/54/48/10/1061544810.db2.gz BCNWEJMDFMYIPY-NRFANRHFSA-N 1 2 363.461 2.806 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3ccc(C)c(C#N)c3)C2)c1 ZINC001462229147 1061544829 /nfs/dbraw/zinc/54/48/29/1061544829.db2.gz BCNWEJMDFMYIPY-NRFANRHFSA-N 1 2 363.461 2.806 20 30 FFEDLO Cc1cc(Cn2c([C@@H]3CCC[N@H+]3C)nnc2N2CCC(C)(C#N)CC2)no1 ZINC001528138727 1061771992 /nfs/dbraw/zinc/77/19/92/1061771992.db2.gz XMZMLOGRXZXDDR-INIZCTEOSA-N 1 2 369.473 2.520 20 30 FFEDLO Cc1cc(Cn2c([C@@H]3CCC[N@@H+]3C)nnc2N2CCC(C)(C#N)CC2)no1 ZINC001528138727 1061772010 /nfs/dbraw/zinc/77/20/10/1061772010.db2.gz XMZMLOGRXZXDDR-INIZCTEOSA-N 1 2 369.473 2.520 20 30 FFEDLO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C(F)C(F)(F)F)C2)cc1 ZINC001479453401 1062420413 /nfs/dbraw/zinc/42/04/13/1062420413.db2.gz XWPIYONCBZBOCK-RRFJBIMHSA-N 1 2 357.351 2.833 20 30 FFEDLO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H](F)C(F)(F)F)C2)cc1 ZINC001479453401 1062420417 /nfs/dbraw/zinc/42/04/17/1062420417.db2.gz XWPIYONCBZBOCK-RRFJBIMHSA-N 1 2 357.351 2.833 20 30 FFEDLO C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001479594293 1062605828 /nfs/dbraw/zinc/60/58/28/1062605828.db2.gz FLBWGGNCOVZJDE-VQIMIIECSA-N 1 2 365.481 2.715 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001531014314 1062678698 /nfs/dbraw/zinc/67/86/98/1062678698.db2.gz PTLWICPHJMTCCE-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001531014314 1062678708 /nfs/dbraw/zinc/67/87/08/1062678708.db2.gz PTLWICPHJMTCCE-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO C=C(C)Cn1c(C2CC=CC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001524144481 1062736721 /nfs/dbraw/zinc/73/67/21/1062736721.db2.gz WXTRJXPNKRDMCS-UHFFFAOYSA-N 1 2 365.485 2.713 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001524271996 1062783048 /nfs/dbraw/zinc/78/30/48/1062783048.db2.gz NMSQESWZCHLFBH-BFYDXBDKSA-N 1 2 370.497 2.613 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001524271996 1062783068 /nfs/dbraw/zinc/78/30/68/1062783068.db2.gz NMSQESWZCHLFBH-BFYDXBDKSA-N 1 2 370.497 2.613 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc3ccccc3c2)[C@@H]1C ZINC001479701679 1062830242 /nfs/dbraw/zinc/83/02/42/1062830242.db2.gz LVAJYVUQGJZUJY-KHYOSLBOSA-N 1 2 364.449 2.517 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc3ccccc3c2)[C@@H]1C ZINC001479701679 1062830271 /nfs/dbraw/zinc/83/02/71/1062830271.db2.gz LVAJYVUQGJZUJY-KHYOSLBOSA-N 1 2 364.449 2.517 20 30 FFEDLO C=C[C@H](O)c1nnc(N2CCC(Nc3cccc[nH+]3)CC2)n1CC(C)C ZINC001525001279 1063092028 /nfs/dbraw/zinc/09/20/28/1063092028.db2.gz MTKMLIOGJFLEPJ-INIZCTEOSA-N 1 2 356.474 2.629 20 30 FFEDLO C[NH+](C)Cc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2C#N)no1 ZINC001525114825 1063154201 /nfs/dbraw/zinc/15/42/01/1063154201.db2.gz ZHYQOFCRHWAUQJ-UHFFFAOYSA-N 1 2 354.288 2.759 20 30 FFEDLO CN(c1nnc([C@H]2CCCC[N@@H+]2C)n1C[C@H]1CCCO1)[C@@H]1CCC[C@H]1C#N ZINC001525295361 1063239490 /nfs/dbraw/zinc/23/94/90/1063239490.db2.gz XFRWTPKXPKILLL-BSDSXHPESA-N 1 2 372.517 2.742 20 30 FFEDLO CN(c1nnc([C@H]2CCCC[N@H+]2C)n1C[C@H]1CCCO1)[C@@H]1CCC[C@H]1C#N ZINC001525295361 1063239505 /nfs/dbraw/zinc/23/95/05/1063239505.db2.gz XFRWTPKXPKILLL-BSDSXHPESA-N 1 2 372.517 2.742 20 30 FFEDLO C#Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC001468178004 1063938002 /nfs/dbraw/zinc/93/80/02/1063938002.db2.gz DCSKWTRTMGFMNK-KRWDZBQOSA-N 1 2 365.452 2.634 20 30 FFEDLO C=CCCC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)c2ccc(C)o2)CC1 ZINC001575093528 1078106133 /nfs/dbraw/zinc/10/61/33/1078106133.db2.gz MDIDYSMKUACAMV-UHFFFAOYSA-N 1 2 357.458 2.779 20 30 FFEDLO C=CCc1ccc(OCC(=O)NCc2[nH]c3c([nH+]2)CCCC3)c(OC)c1 ZINC001472064363 1064916242 /nfs/dbraw/zinc/91/62/42/1064916242.db2.gz LSVBDHTWFLLTHP-UHFFFAOYSA-N 1 2 355.438 2.721 20 30 FFEDLO CC1(C)COCC[N@@H+]1CCNc1ccc(C#N)c(Br)c1F ZINC001472684569 1065126910 /nfs/dbraw/zinc/12/69/10/1065126910.db2.gz MLHHFTXCYCSOHH-UHFFFAOYSA-N 1 2 356.239 2.983 20 30 FFEDLO CC1(C)COCC[N@H+]1CCNc1ccc(C#N)c(Br)c1F ZINC001472684569 1065126913 /nfs/dbraw/zinc/12/69/13/1065126913.db2.gz MLHHFTXCYCSOHH-UHFFFAOYSA-N 1 2 356.239 2.983 20 30 FFEDLO Cc1ccc(C[NH+]2CCN(CC(=O)NC3CCC(C)CC3)CC2)cc1C#N ZINC001473257256 1065231685 /nfs/dbraw/zinc/23/16/85/1065231685.db2.gz HMSIJCJCAZSANU-UHFFFAOYSA-N 1 2 368.525 2.679 20 30 FFEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC001473837268 1065386665 /nfs/dbraw/zinc/38/66/65/1065386665.db2.gz MPJBLQBUAICAHY-UHFFFAOYSA-N 1 2 355.872 2.553 20 30 FFEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC001473837268 1065386671 /nfs/dbraw/zinc/38/66/71/1065386671.db2.gz MPJBLQBUAICAHY-UHFFFAOYSA-N 1 2 355.872 2.553 20 30 FFEDLO N#CCCCC[C@H]([NH3+])C(=O)Nc1nc2cccc(Br)c2[nH]1 ZINC001580050632 1078739957 /nfs/dbraw/zinc/73/99/57/1078739957.db2.gz HOFRLHFPQFPJBW-JTQLQIEISA-N 1 2 350.220 2.675 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC001562833551 1073842217 /nfs/dbraw/zinc/84/22/17/1073842217.db2.gz XZLKCEJBPPERCG-HNNXBMFYSA-N 1 2 374.485 2.920 20 30 FFEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001584748979 1079385213 /nfs/dbraw/zinc/38/52/13/1079385213.db2.gz YYYKPWTXNGTZGH-UHFFFAOYSA-N 1 2 374.444 2.962 20 30 FFEDLO Cc1nc(C#N)cc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC001559054671 1076121520 /nfs/dbraw/zinc/12/15/20/1076121520.db2.gz DABMRHITAARWRJ-UHFFFAOYSA-N 1 2 361.371 2.998 20 30 FFEDLO N#Cc1cccc([C@H](O)CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1 ZINC001560043530 1076216574 /nfs/dbraw/zinc/21/65/74/1076216574.db2.gz CASAHSIUDJXIFJ-JOCHJYFZSA-N 1 2 360.461 2.891 20 30 FFEDLO CCc1ccc([C@H]2CN(S(=O)(=O)Cc3ccc(C#N)cc3)CC[NH2+]2)cc1 ZINC001562037789 1076472054 /nfs/dbraw/zinc/47/20/54/1076472054.db2.gz QPPPCSMJMUZQBR-HXUWFJFHSA-N 1 2 369.490 2.597 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2ncsc2Nc2ccc(C)cc2)CC1 ZINC001565815615 1076770513 /nfs/dbraw/zinc/77/05/13/1076770513.db2.gz MMXWCGZDONIBPU-UHFFFAOYSA-N 1 2 354.479 2.976 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2ncsc2Nc2ccc(C)cc2)CC1 ZINC001565815615 1076770515 /nfs/dbraw/zinc/77/05/15/1076770515.db2.gz MMXWCGZDONIBPU-UHFFFAOYSA-N 1 2 354.479 2.976 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)CCCCC(=O)c2ccc(OC)cc2)CC1 ZINC001565815653 1076770752 /nfs/dbraw/zinc/77/07/52/1076770752.db2.gz MPJPXNDKWHHUAD-UHFFFAOYSA-N 1 2 356.466 2.606 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)CCCCC(=O)c2ccc(OC)cc2)CC1 ZINC001565815653 1076770756 /nfs/dbraw/zinc/77/07/56/1076770756.db2.gz MPJPXNDKWHHUAD-UHFFFAOYSA-N 1 2 356.466 2.606 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H](C)CC)C1 ZINC001565998644 1076833838 /nfs/dbraw/zinc/83/38/38/1076833838.db2.gz CBQDGEINSWNAOL-MISYRCLQSA-N 1 2 371.525 2.699 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H](C)CC)C1 ZINC001565998644 1076833840 /nfs/dbraw/zinc/83/38/40/1076833840.db2.gz CBQDGEINSWNAOL-MISYRCLQSA-N 1 2 371.525 2.699 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C(C)C)CC[C@@H]2C1 ZINC001566044304 1076872518 /nfs/dbraw/zinc/87/25/18/1076872518.db2.gz IBWRPXFVMJJZNF-MOPGFXCFSA-N 1 2 371.529 2.908 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C(C)C)CC[C@@H]2C1 ZINC001566044304 1076872521 /nfs/dbraw/zinc/87/25/21/1076872521.db2.gz IBWRPXFVMJJZNF-MOPGFXCFSA-N 1 2 371.529 2.908 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2sccc2F)[C@H]1C ZINC001566087029 1076892639 /nfs/dbraw/zinc/89/26/39/1076892639.db2.gz MYGJJMHVSVZZIO-HIFRSBDPSA-N 1 2 367.490 2.504 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)c2sccc2F)[C@H]1C ZINC001566087029 1076892644 /nfs/dbraw/zinc/89/26/44/1076892644.db2.gz MYGJJMHVSVZZIO-HIFRSBDPSA-N 1 2 367.490 2.504 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC001573576702 1077744429 /nfs/dbraw/zinc/74/44/29/1077744429.db2.gz YCHGJZRNAQEOKZ-NUJGCVRESA-N 1 2 368.481 2.964 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(CC)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001587644992 1079835088 /nfs/dbraw/zinc/83/50/88/1079835088.db2.gz CNCOXTSLMZXZBM-KRWDZBQOSA-N 1 2 366.513 2.978 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001588391451 1080003571 /nfs/dbraw/zinc/00/35/71/1080003571.db2.gz LSBPOHDZQUOGEA-CYBMUJFWSA-N 1 2 374.514 2.563 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001588391451 1080003581 /nfs/dbraw/zinc/00/35/81/1080003581.db2.gz LSBPOHDZQUOGEA-CYBMUJFWSA-N 1 2 374.514 2.563 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC001588426330 1080024465 /nfs/dbraw/zinc/02/44/65/1080024465.db2.gz SUEFHNZMWHMUAH-UHFFFAOYSA-N 1 2 369.425 2.539 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC001588426330 1080024478 /nfs/dbraw/zinc/02/44/78/1080024478.db2.gz SUEFHNZMWHMUAH-UHFFFAOYSA-N 1 2 369.425 2.539 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2C[C@H](C)c2ccc(F)cc2)CC1 ZINC001588836122 1080213025 /nfs/dbraw/zinc/21/30/25/1080213025.db2.gz GGIGSLQIJQIPFZ-INIZCTEOSA-N 1 2 355.461 2.539 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2C[C@H]2C)CC1 ZINC001588848758 1080217133 /nfs/dbraw/zinc/21/71/33/1080217133.db2.gz NDSXZKJVHBIRQS-QUCCMNQESA-N 1 2 363.509 2.589 20 30 FFEDLO CC(C)(C#N)CCCCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001589034387 1080316449 /nfs/dbraw/zinc/31/64/49/1080316449.db2.gz YVEJQMSVUAAWDC-UHFFFAOYSA-N 1 2 367.501 2.704 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000267685923 251350609 /nfs/dbraw/zinc/35/06/09/251350609.db2.gz HAZKLFTVWUYTHB-SJORKVTESA-N 1 2 350.509 2.692 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000267685923 251350613 /nfs/dbraw/zinc/35/06/13/251350613.db2.gz HAZKLFTVWUYTHB-SJORKVTESA-N 1 2 350.509 2.692 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000273343656 252286122 /nfs/dbraw/zinc/28/61/22/252286122.db2.gz ACPALQCJDMCLDV-OAHLLOKOSA-N 1 2 364.405 2.985 20 30 FFEDLO C[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nccs1 ZINC000273503484 252319753 /nfs/dbraw/zinc/31/97/53/252319753.db2.gz MVYPZNIKNSEYEL-OAHLLOKOSA-N 1 2 369.494 2.646 20 30 FFEDLO Cn1ncc(Br)c1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000278471030 256316177 /nfs/dbraw/zinc/31/61/77/256316177.db2.gz QLTIQWHWRIRAMZ-UHFFFAOYSA-N 1 2 374.286 2.767 20 30 FFEDLO Cn1ncc(Br)c1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000278471030 256316179 /nfs/dbraw/zinc/31/61/79/256316179.db2.gz QLTIQWHWRIRAMZ-UHFFFAOYSA-N 1 2 374.286 2.767 20 30 FFEDLO C[C@H](CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)Cn1cc[nH+]c1 ZINC000286500142 257040055 /nfs/dbraw/zinc/04/00/55/257040055.db2.gz PQZRIXXUBQYBRQ-OAHLLOKOSA-N 1 2 369.444 2.563 20 30 FFEDLO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1noc(COC(C)C)n1 ZINC000289445407 257281654 /nfs/dbraw/zinc/28/16/54/257281654.db2.gz FLMSROVFWYAYGH-ZDUSSCGKSA-N 1 2 360.414 2.604 20 30 FFEDLO N#Cc1cccc(-c2cc(-c3nc([C@@H]4C[N@@H+](C5CC5)CCO4)no3)on2)c1 ZINC000289191663 257265046 /nfs/dbraw/zinc/26/50/46/257265046.db2.gz WSCJEWBUQDEPRV-KRWDZBQOSA-N 1 2 363.377 2.799 20 30 FFEDLO N#Cc1cccc(-c2cc(-c3nc([C@@H]4C[N@H+](C5CC5)CCO4)no3)on2)c1 ZINC000289191663 257265047 /nfs/dbraw/zinc/26/50/47/257265047.db2.gz WSCJEWBUQDEPRV-KRWDZBQOSA-N 1 2 363.377 2.799 20 30 FFEDLO CC1(C)C[NH+]=C(N2CCN(c3nc4c(cc3C#N)CCCC4)CC2)S1 ZINC000301868425 258071480 /nfs/dbraw/zinc/07/14/80/258071480.db2.gz GPXZAFMPVHVQPK-UHFFFAOYSA-N 1 2 355.511 2.835 20 30 FFEDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3cc(C#N)ccc3F)CC2)C1 ZINC000331940091 258207058 /nfs/dbraw/zinc/20/70/58/258207058.db2.gz GKFSTXPQTVODCU-LPHOPBHVSA-N 1 2 372.488 2.510 20 30 FFEDLO CC(C)(C)n1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000332330296 258225625 /nfs/dbraw/zinc/22/56/25/258225625.db2.gz QQCIMPLFSGPUFR-UHFFFAOYSA-N 1 2 366.469 2.859 20 30 FFEDLO C[C@@H]1C[C@@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)c2[nH+]ccn21 ZINC000333237691 258257597 /nfs/dbraw/zinc/25/75/97/258257597.db2.gz ZGYOOTKJBQXABZ-NVXWUHKLSA-N 1 2 364.453 2.682 20 30 FFEDLO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000110306225 132246558 /nfs/dbraw/zinc/24/65/58/132246558.db2.gz XOWCFVSWDUWBPU-AEFFLSMTSA-N 1 2 372.488 2.999 20 30 FFEDLO C=CCc1ccc(OCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(OC)c1 ZINC000049934887 132302188 /nfs/dbraw/zinc/30/21/88/132302188.db2.gz ZQADDLZAVMYEJX-UHFFFAOYSA-N 1 2 367.449 2.546 20 30 FFEDLO N#Cc1cccc(-n2ccc(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)n2)c1 ZINC000409705280 512129626 /nfs/dbraw/zinc/12/96/26/512129626.db2.gz MVKIEUCNKLSIRK-UHFFFAOYSA-N 1 2 368.400 2.860 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C#N)c(C)n3)CC2)cc1 ZINC000032295263 506239814 /nfs/dbraw/zinc/23/98/14/506239814.db2.gz CTBOOSDZXWZQRP-UHFFFAOYSA-N 1 2 364.449 2.618 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000052801003 506251318 /nfs/dbraw/zinc/25/13/18/506251318.db2.gz FCJXWFWSFUXLMX-UHFFFAOYSA-N 1 2 359.433 2.507 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000052801003 506251323 /nfs/dbraw/zinc/25/13/23/506251323.db2.gz FCJXWFWSFUXLMX-UHFFFAOYSA-N 1 2 359.433 2.507 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(CNC(C)=O)CC1 ZINC000052848811 506263585 /nfs/dbraw/zinc/26/35/85/506263585.db2.gz FAPUVVXGASTERY-UHFFFAOYSA-N 1 2 361.511 2.751 20 30 FFEDLO N#CC1(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CCCCC1 ZINC000065513720 506312698 /nfs/dbraw/zinc/31/26/98/506312698.db2.gz UCCCDWMMUZILIZ-UHFFFAOYSA-N 1 2 365.437 2.868 20 30 FFEDLO N#Cc1cnn(-c2ccc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)cc2)c1N ZINC000066240739 506455790 /nfs/dbraw/zinc/45/57/90/506455790.db2.gz CWYZUTLBXLZUIW-UHFFFAOYSA-N 1 2 369.388 2.764 20 30 FFEDLO C[C@@H](C(=O)NCC1CCCCC1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000041106038 506492384 /nfs/dbraw/zinc/49/23/84/506492384.db2.gz GOTICHZBWHBYAA-SFHVURJKSA-N 1 2 368.525 2.761 20 30 FFEDLO C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000041106038 506492391 /nfs/dbraw/zinc/49/23/91/506492391.db2.gz GOTICHZBWHBYAA-SFHVURJKSA-N 1 2 368.525 2.761 20 30 FFEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000007017660 506525218 /nfs/dbraw/zinc/52/52/18/506525218.db2.gz NKUDKDLUYRWICP-FQEVSTJZSA-N 1 2 358.486 2.700 20 30 FFEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000007017660 506525225 /nfs/dbraw/zinc/52/52/25/506525225.db2.gz NKUDKDLUYRWICP-FQEVSTJZSA-N 1 2 358.486 2.700 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000066606908 506573605 /nfs/dbraw/zinc/57/36/05/506573605.db2.gz GXPSWXHXOVCXEI-UTKZUKDTSA-N 1 2 374.504 2.776 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000066606908 506573611 /nfs/dbraw/zinc/57/36/11/506573611.db2.gz GXPSWXHXOVCXEI-UTKZUKDTSA-N 1 2 374.504 2.776 20 30 FFEDLO C[C@H](Sc1[nH+]cnc2c1cnn2C)C(=O)N(CCC#N)c1ccccc1 ZINC000011680795 506787195 /nfs/dbraw/zinc/78/71/95/506787195.db2.gz QQIZEAHOXCEFDC-ZDUSSCGKSA-N 1 2 366.450 2.791 20 30 FFEDLO COc1ccc(C(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)c(OC)c1 ZINC000055926604 506887844 /nfs/dbraw/zinc/88/78/44/506887844.db2.gz DKCMWVCASGSTIH-UHFFFAOYSA-N 1 2 365.433 2.533 20 30 FFEDLO N#Cc1ccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000067659343 506966023 /nfs/dbraw/zinc/96/60/23/506966023.db2.gz XLQGSYUFQBWEMV-IBGZPJMESA-N 1 2 351.475 2.965 20 30 FFEDLO CCc1cccc(OCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000017842992 507129664 /nfs/dbraw/zinc/12/96/64/507129664.db2.gz DGMGBHHQHRLJPF-UHFFFAOYSA-N 1 2 363.461 2.844 20 30 FFEDLO N#Cc1cc(S(=O)(=O)NCC[NH+]2Cc3ccccc3C2)ccc1Cl ZINC000068346115 507196190 /nfs/dbraw/zinc/19/61/90/507196190.db2.gz OFPXUSNONHIDQR-UHFFFAOYSA-N 1 2 361.854 2.506 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375440309 512329090 /nfs/dbraw/zinc/32/90/90/512329090.db2.gz WALDSMSOZLDKEY-HOTGVXAUSA-N 1 2 352.394 2.522 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375440309 512329093 /nfs/dbraw/zinc/32/90/93/512329093.db2.gz WALDSMSOZLDKEY-HOTGVXAUSA-N 1 2 352.394 2.522 20 30 FFEDLO N#Cc1ccc(OCC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000047417864 507327314 /nfs/dbraw/zinc/32/73/14/507327314.db2.gz BKQXNAOXPRXSHN-UHFFFAOYSA-N 1 2 350.422 2.639 20 30 FFEDLO N#Cc1ccc(CCC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000023436705 507354080 /nfs/dbraw/zinc/35/40/80/507354080.db2.gz JFNDZLKEEBKTEO-GOSISDBHSA-N 1 2 369.490 2.742 20 30 FFEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cc(Br)cs1 ZINC000047751581 507389511 /nfs/dbraw/zinc/38/95/11/507389511.db2.gz CAPWNYJTKQNMPD-CQSZACIVSA-N 1 2 356.289 2.751 20 30 FFEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cc(Br)cs1 ZINC000047751581 507389513 /nfs/dbraw/zinc/38/95/13/507389513.db2.gz CAPWNYJTKQNMPD-CQSZACIVSA-N 1 2 356.289 2.751 20 30 FFEDLO COCC[N@H+](CC(=O)N(C)Cc1ccccc1F)Cc1ccc(C#N)cc1 ZINC000069072154 507397431 /nfs/dbraw/zinc/39/74/31/507397431.db2.gz BQQPNIZOZZJEKT-UHFFFAOYSA-N 1 2 369.440 2.804 20 30 FFEDLO COCC[N@@H+](CC(=O)N(C)Cc1ccccc1F)Cc1ccc(C#N)cc1 ZINC000069072154 507397435 /nfs/dbraw/zinc/39/74/35/507397435.db2.gz BQQPNIZOZZJEKT-UHFFFAOYSA-N 1 2 369.440 2.804 20 30 FFEDLO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000047858647 507400861 /nfs/dbraw/zinc/40/08/61/507400861.db2.gz QPFSZMDDJHPNFT-HNNXBMFYSA-N 1 2 360.421 2.886 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 ZINC000024713255 507432674 /nfs/dbraw/zinc/43/26/74/507432674.db2.gz PTNWCCQLAKOUMW-UHFFFAOYSA-N 1 2 373.453 2.594 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 ZINC000024713255 507432680 /nfs/dbraw/zinc/43/26/80/507432680.db2.gz PTNWCCQLAKOUMW-UHFFFAOYSA-N 1 2 373.453 2.594 20 30 FFEDLO Cc1ccc(C#N)cc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000069615167 507523490 /nfs/dbraw/zinc/52/34/90/507523490.db2.gz ASGIENVIEXAYQN-IBGZPJMESA-N 1 2 364.449 2.889 20 30 FFEDLO Cc1ccc(C#N)cc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000069615167 507523493 /nfs/dbraw/zinc/52/34/93/507523493.db2.gz ASGIENVIEXAYQN-IBGZPJMESA-N 1 2 364.449 2.889 20 30 FFEDLO CCOC(=O)c1ccc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026323386 507576694 /nfs/dbraw/zinc/57/66/94/507576694.db2.gz NUQNBGJKHSIERY-UHFFFAOYSA-N 1 2 351.406 2.805 20 30 FFEDLO CCOC(=O)c1ccc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026323386 507576702 /nfs/dbraw/zinc/57/67/02/507576702.db2.gz NUQNBGJKHSIERY-UHFFFAOYSA-N 1 2 351.406 2.805 20 30 FFEDLO CCOC(=O)c1ccsc1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026328454 507578554 /nfs/dbraw/zinc/57/85/54/507578554.db2.gz BISZEMXKSLKGNB-UHFFFAOYSA-N 1 2 357.435 2.867 20 30 FFEDLO CCOC(=O)c1ccsc1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026328454 507578564 /nfs/dbraw/zinc/57/85/64/507578564.db2.gz BISZEMXKSLKGNB-UHFFFAOYSA-N 1 2 357.435 2.867 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000026462368 507590620 /nfs/dbraw/zinc/59/06/20/507590620.db2.gz ZDUYWVXMFZPGRL-AWEZNQCLSA-N 1 2 356.253 2.699 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000026462368 507590625 /nfs/dbraw/zinc/59/06/25/507590625.db2.gz ZDUYWVXMFZPGRL-AWEZNQCLSA-N 1 2 356.253 2.699 20 30 FFEDLO N#Cc1cccc([C@H]2CN(C(=O)NCCCNc3cccc[nH+]3)CCO2)c1 ZINC000367128459 512350738 /nfs/dbraw/zinc/35/07/38/512350738.db2.gz BCZZWGUZKPWNIT-GOSISDBHSA-N 1 2 365.437 2.538 20 30 FFEDLO N#Cc1ccc(CSCC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000049766896 507638460 /nfs/dbraw/zinc/63/84/60/507638460.db2.gz NHKYACIVAYYZQA-UHFFFAOYSA-N 1 2 366.490 2.972 20 30 FFEDLO O=C(C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1)Nc1nncs1 ZINC000050963610 507722200 /nfs/dbraw/zinc/72/22/00/507722200.db2.gz CFJHSSJZMTXVQX-CQSZACIVSA-N 1 2 350.419 2.946 20 30 FFEDLO O=C(C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1)Nc1nncs1 ZINC000050963610 507722203 /nfs/dbraw/zinc/72/22/03/507722203.db2.gz CFJHSSJZMTXVQX-CQSZACIVSA-N 1 2 350.419 2.946 20 30 FFEDLO COCC[N@H+](CCCS(=O)(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000063753492 507768263 /nfs/dbraw/zinc/76/82/63/507768263.db2.gz CSBYQOTYXHOWHJ-UHFFFAOYSA-N 1 2 372.490 2.871 20 30 FFEDLO COCC[N@@H+](CCCS(=O)(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000063753492 507768266 /nfs/dbraw/zinc/76/82/66/507768266.db2.gz CSBYQOTYXHOWHJ-UHFFFAOYSA-N 1 2 372.490 2.871 20 30 FFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000029227401 507769394 /nfs/dbraw/zinc/76/93/94/507769394.db2.gz ZJFNWGSPMJIBAY-UHFFFAOYSA-N 1 2 374.448 2.932 20 30 FFEDLO CC(C)C[C@H](C)N(C)C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000051621506 507778516 /nfs/dbraw/zinc/77/85/16/507778516.db2.gz BSAPKMAVTRBGLY-SFHVURJKSA-N 1 2 356.514 2.569 20 30 FFEDLO CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000051621506 507778518 /nfs/dbraw/zinc/77/85/18/507778518.db2.gz BSAPKMAVTRBGLY-SFHVURJKSA-N 1 2 356.514 2.569 20 30 FFEDLO CC(C)N(C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000051621531 507778633 /nfs/dbraw/zinc/77/86/33/507778633.db2.gz NLGOQARLZGGIBZ-UHFFFAOYSA-N 1 2 368.525 2.855 20 30 FFEDLO CC(C)N(C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000051621531 507778636 /nfs/dbraw/zinc/77/86/36/507778636.db2.gz NLGOQARLZGGIBZ-UHFFFAOYSA-N 1 2 368.525 2.855 20 30 FFEDLO N#Cc1ccc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000029525982 507781707 /nfs/dbraw/zinc/78/17/07/507781707.db2.gz LZDCNMWUDGDIIT-IBGZPJMESA-N 1 2 352.394 2.952 20 30 FFEDLO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000029638126 507785378 /nfs/dbraw/zinc/78/53/78/507785378.db2.gz OLJGZQPSQMEICG-IBGZPJMESA-N 1 2 360.889 2.579 20 30 FFEDLO CC[N@@H+](CC(=O)NCCOc1cccc(C(F)(F)F)c1)C[C@@H](C)C#N ZINC000064249093 507787742 /nfs/dbraw/zinc/78/77/42/507787742.db2.gz OWASPBXUUNVMOW-ZDUSSCGKSA-N 1 2 357.376 2.682 20 30 FFEDLO CC[N@H+](CC(=O)NCCOc1cccc(C(F)(F)F)c1)C[C@@H](C)C#N ZINC000064249093 507787744 /nfs/dbraw/zinc/78/77/44/507787744.db2.gz OWASPBXUUNVMOW-ZDUSSCGKSA-N 1 2 357.376 2.682 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000029757145 507789266 /nfs/dbraw/zinc/78/92/66/507789266.db2.gz JPFNUCDIMAXLJR-OAHLLOKOSA-N 1 2 355.463 2.731 20 30 FFEDLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000029862858 507793522 /nfs/dbraw/zinc/79/35/22/507793522.db2.gz UNHMQIHZOLRKJB-QGZVFWFLSA-N 1 2 373.840 2.522 20 30 FFEDLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000029862858 507793524 /nfs/dbraw/zinc/79/35/24/507793524.db2.gz UNHMQIHZOLRKJB-QGZVFWFLSA-N 1 2 373.840 2.522 20 30 FFEDLO COc1ccccc1[C@H](NC(=O)c1sccc1C#N)c1[nH+]ccn1C ZINC000052029440 507794377 /nfs/dbraw/zinc/79/43/77/507794377.db2.gz JVXBVLCEYIUALE-HNNXBMFYSA-N 1 2 352.419 2.881 20 30 FFEDLO CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000052640902 507816507 /nfs/dbraw/zinc/81/65/07/507816507.db2.gz PUIGTDYTRWICCQ-MRXNPFEDSA-N 1 2 360.477 2.712 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)[C@@H]1C[N@H+](Cc3ccccc3)CCO1)CCC2 ZINC000078060634 507829480 /nfs/dbraw/zinc/82/94/80/507829480.db2.gz CSLYKPBOEFEZPI-KRWDZBQOSA-N 1 2 367.474 2.948 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)[C@@H]1C[N@@H+](Cc3ccccc3)CCO1)CCC2 ZINC000078060634 507829481 /nfs/dbraw/zinc/82/94/81/507829481.db2.gz CSLYKPBOEFEZPI-KRWDZBQOSA-N 1 2 367.474 2.948 20 30 FFEDLO C[C@@H]1CCc2c(C(=O)N(CCC#N)CC[NH+]3CCOCC3)csc2C1 ZINC000072622546 507833588 /nfs/dbraw/zinc/83/35/88/507833588.db2.gz RBLZCXJHJJHTLV-OAHLLOKOSA-N 1 2 361.511 2.561 20 30 FFEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000072692837 507843107 /nfs/dbraw/zinc/84/31/07/507843107.db2.gz XDVATVMLNYBAIE-UHFFFAOYSA-N 1 2 358.486 2.979 20 30 FFEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000072692837 507843108 /nfs/dbraw/zinc/84/31/08/507843108.db2.gz XDVATVMLNYBAIE-UHFFFAOYSA-N 1 2 358.486 2.979 20 30 FFEDLO C[C@@H]1C[NH+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H](C)S1 ZINC000072771569 507851826 /nfs/dbraw/zinc/85/18/26/507851826.db2.gz BVSGZRHSHCNRSQ-ZIAGYGMSSA-N 1 2 355.467 2.508 20 30 FFEDLO N#CCOc1cccc(CC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000089777528 507865558 /nfs/dbraw/zinc/86/55/58/507865558.db2.gz RIHQHPVIIYHGJY-UHFFFAOYSA-N 1 2 367.424 2.615 20 30 FFEDLO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCN(c3ncccc3C#N)CC2)c1 ZINC000073108722 507894528 /nfs/dbraw/zinc/89/45/28/507894528.db2.gz XZTCTDVDFZXJKN-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCCc4ccccc43)CC2)cc1 ZINC000109001850 507930929 /nfs/dbraw/zinc/93/09/29/507930929.db2.gz NXKFWWGTZFCDCC-UHFFFAOYSA-N 1 2 360.461 2.660 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc2cnn(C)c2)c1 ZINC000073642675 507941868 /nfs/dbraw/zinc/94/18/68/507941868.db2.gz YWQSESAWXLUMCX-KRWDZBQOSA-N 1 2 353.470 2.804 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc2cnn(C)c2)c1 ZINC000073642675 507941869 /nfs/dbraw/zinc/94/18/69/507941869.db2.gz YWQSESAWXLUMCX-KRWDZBQOSA-N 1 2 353.470 2.804 20 30 FFEDLO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091068339 507949181 /nfs/dbraw/zinc/94/91/81/507949181.db2.gz UIAGSBRXXZDMOV-QGZVFWFLSA-N 1 2 352.438 2.970 20 30 FFEDLO COC(=O)C[C@H]1CCCC[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091068339 507949182 /nfs/dbraw/zinc/94/91/82/507949182.db2.gz UIAGSBRXXZDMOV-QGZVFWFLSA-N 1 2 352.438 2.970 20 30 FFEDLO C=CC[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361431 508064122 /nfs/dbraw/zinc/06/41/22/508064122.db2.gz CPOHKTUACTXJKE-INIZCTEOSA-N 1 2 365.886 2.905 20 30 FFEDLO C=CC[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361431 508064125 /nfs/dbraw/zinc/06/41/25/508064125.db2.gz CPOHKTUACTXJKE-INIZCTEOSA-N 1 2 365.886 2.905 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000092795820 508101589 /nfs/dbraw/zinc/10/15/89/508101589.db2.gz GHLWHUBQAGMNGV-INIZCTEOSA-N 1 2 353.825 2.615 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000092795820 508101593 /nfs/dbraw/zinc/10/15/93/508101593.db2.gz GHLWHUBQAGMNGV-INIZCTEOSA-N 1 2 353.825 2.615 20 30 FFEDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000081004626 508123512 /nfs/dbraw/zinc/12/35/12/508123512.db2.gz HJAQKFUVAMBKIR-UHFFFAOYSA-N 1 2 355.360 2.652 20 30 FFEDLO CCOC(=O)C[N@H+]1CCCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000081004626 508123514 /nfs/dbraw/zinc/12/35/14/508123514.db2.gz HJAQKFUVAMBKIR-UHFFFAOYSA-N 1 2 355.360 2.652 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1c(F)cccc1Br ZINC000093178318 508127301 /nfs/dbraw/zinc/12/73/01/508127301.db2.gz LNQKNAREGQWUHE-UHFFFAOYSA-N 1 2 370.266 2.636 20 30 FFEDLO N#CCC[N@@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccccn1 ZINC000081159959 508142998 /nfs/dbraw/zinc/14/29/98/508142998.db2.gz UGNCOBKBUIEEIK-UHFFFAOYSA-N 1 2 354.479 2.834 20 30 FFEDLO N#CCC[N@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccccn1 ZINC000081159959 508143000 /nfs/dbraw/zinc/14/30/00/508143000.db2.gz UGNCOBKBUIEEIK-UHFFFAOYSA-N 1 2 354.479 2.834 20 30 FFEDLO C=CCc1cc(C[NH+]2CCN(c3ncccc3F)CC2)cc(OC)c1O ZINC000093687369 508153200 /nfs/dbraw/zinc/15/32/00/508153200.db2.gz KBMLZMOAEQASIK-UHFFFAOYSA-N 1 2 357.429 2.986 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CCC[C@H](NC(C)=O)C1)Cc1ccc(Cl)s1 ZINC000076606428 508230344 /nfs/dbraw/zinc/23/03/44/508230344.db2.gz UEVOHZYZEUOGLB-AWEZNQCLSA-N 1 2 369.918 2.517 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CCC[C@H](NC(C)=O)C1)Cc1ccc(Cl)s1 ZINC000076606428 508230347 /nfs/dbraw/zinc/23/03/47/508230347.db2.gz UEVOHZYZEUOGLB-AWEZNQCLSA-N 1 2 369.918 2.517 20 30 FFEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000101555465 508246319 /nfs/dbraw/zinc/24/63/19/508246319.db2.gz NPEQQXHULQOFGD-UHFFFAOYSA-N 1 2 374.444 2.876 20 30 FFEDLO N#C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CCN1Cc1ccccc1 ZINC000114310457 508303525 /nfs/dbraw/zinc/30/35/25/508303525.db2.gz KJJXNLRNDOMAHP-OAQYLSRUSA-N 1 2 371.444 2.722 20 30 FFEDLO CCN1C[C@@H](C[N@H+](C)CC(=O)Nc2cccc(C#N)c2)Oc2ccccc21 ZINC000115290796 508381572 /nfs/dbraw/zinc/38/15/72/508381572.db2.gz HSNXHIWHUUJZEV-GOSISDBHSA-N 1 2 364.449 2.716 20 30 FFEDLO CCN1C[C@@H](C[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)Oc2ccccc21 ZINC000115290796 508381573 /nfs/dbraw/zinc/38/15/73/508381573.db2.gz HSNXHIWHUUJZEV-GOSISDBHSA-N 1 2 364.449 2.716 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)N2CC[NH+](Cc3ccc(Cl)s3)CC2)cc1 ZINC000115532068 508406282 /nfs/dbraw/zinc/40/62/82/508406282.db2.gz XQEJGAKNQVRGHX-KRWDZBQOSA-N 1 2 374.897 2.617 20 30 FFEDLO COc1ccccc1CC[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156725010 508468063 /nfs/dbraw/zinc/46/80/63/508468063.db2.gz CHCONMUUDYKUEJ-UHFFFAOYSA-N 1 2 358.463 2.515 20 30 FFEDLO COc1ccccc1CC[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156725010 508468067 /nfs/dbraw/zinc/46/80/67/508468067.db2.gz CHCONMUUDYKUEJ-UHFFFAOYSA-N 1 2 358.463 2.515 20 30 FFEDLO Cc1cccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1C#N ZINC000156766601 508474042 /nfs/dbraw/zinc/47/40/42/508474042.db2.gz WNTQWXPPWKZAMS-UHFFFAOYSA-N 1 2 370.409 2.670 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000156838034 508484628 /nfs/dbraw/zinc/48/46/28/508484628.db2.gz FEBWQANVPBGCFZ-IRXDYDNUSA-N 1 2 350.509 2.692 20 30 FFEDLO CC(C)(C#N)C(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000152637153 508484604 /nfs/dbraw/zinc/48/46/04/508484604.db2.gz NOKHVQIYFUXPCA-UHFFFAOYSA-N 1 2 359.861 2.572 20 30 FFEDLO CC(C)(C#N)C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000152637153 508484607 /nfs/dbraw/zinc/48/46/07/508484607.db2.gz NOKHVQIYFUXPCA-UHFFFAOYSA-N 1 2 359.861 2.572 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000156838034 508484625 /nfs/dbraw/zinc/48/46/25/508484625.db2.gz FEBWQANVPBGCFZ-IRXDYDNUSA-N 1 2 350.509 2.692 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c(C#N)c1C ZINC000156907450 508495688 /nfs/dbraw/zinc/49/56/88/508495688.db2.gz MNLZSFLYMBRGGY-HOCLYGCPSA-N 1 2 357.410 2.888 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c(C#N)c1C ZINC000156907450 508495692 /nfs/dbraw/zinc/49/56/92/508495692.db2.gz MNLZSFLYMBRGGY-HOCLYGCPSA-N 1 2 357.410 2.888 20 30 FFEDLO C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000116807585 508563864 /nfs/dbraw/zinc/56/38/64/508563864.db2.gz QWXRPAQRCZTECR-SCLBCKFNSA-N 1 2 353.382 2.983 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1[nH+]ccn1C ZINC000153451764 508584710 /nfs/dbraw/zinc/58/47/10/508584710.db2.gz ZJGPQCKRUFKNHR-AWEZNQCLSA-N 1 2 357.483 2.885 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1cc(C#N)ccc1F ZINC000119145278 508735390 /nfs/dbraw/zinc/73/53/90/508735390.db2.gz PXLWWUNNZKYPOD-UHFFFAOYSA-N 1 2 369.400 2.559 20 30 FFEDLO CC(C)(CCC#N)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000159258879 508815372 /nfs/dbraw/zinc/81/53/72/508815372.db2.gz WJUXROJZDDNWPK-UHFFFAOYSA-N 1 2 369.918 2.976 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000124440857 508832760 /nfs/dbraw/zinc/83/27/60/508832760.db2.gz ODELTXDYVIVMBY-HNNXBMFYSA-N 1 2 373.526 2.626 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000155293329 508969733 /nfs/dbraw/zinc/96/97/33/508969733.db2.gz VZANUBAXFVVBRA-HXUWFJFHSA-N 1 2 358.449 2.854 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)C(=O)Nc1ccccc1C#N ZINC000151221465 508981093 /nfs/dbraw/zinc/98/10/93/508981093.db2.gz JYNIRQJODPHIIJ-LSDHHAIUSA-N 1 2 360.421 2.817 20 30 FFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000120365818 508981672 /nfs/dbraw/zinc/98/16/72/508981672.db2.gz PUGLWPYKNMIDFE-QGZVFWFLSA-N 1 2 366.465 2.930 20 30 FFEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000120600077 509029125 /nfs/dbraw/zinc/02/91/25/509029125.db2.gz QVNJPOHRMLVIPT-UHFFFAOYSA-N 1 2 352.394 2.797 20 30 FFEDLO Cn1cc(Br)cc1C[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000151538503 509039557 /nfs/dbraw/zinc/03/95/57/509039557.db2.gz CNQPFRJQDMMBBF-UHFFFAOYSA-N 1 2 367.291 2.562 20 30 FFEDLO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000151538503 509039559 /nfs/dbraw/zinc/03/95/59/509039559.db2.gz CNQPFRJQDMMBBF-UHFFFAOYSA-N 1 2 367.291 2.562 20 30 FFEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000155710876 509057252 /nfs/dbraw/zinc/05/72/52/509057252.db2.gz NRZBMIAOKCPCGX-UHFFFAOYSA-N 1 2 371.828 2.554 20 30 FFEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CSCC#N ZINC000155748939 509064533 /nfs/dbraw/zinc/06/45/33/509064533.db2.gz GWLUANMZMROPIO-CRAIPNDOSA-N 1 2 360.527 2.706 20 30 FFEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CSCC#N ZINC000155748939 509064536 /nfs/dbraw/zinc/06/45/36/509064536.db2.gz GWLUANMZMROPIO-CRAIPNDOSA-N 1 2 360.527 2.706 20 30 FFEDLO C=CCc1cc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc(OC)c1OC ZINC000161055042 509065302 /nfs/dbraw/zinc/06/53/02/509065302.db2.gz VPIXETXTYOYIMH-INIZCTEOSA-N 1 2 355.438 2.508 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)cn1 ZINC000151928929 509112643 /nfs/dbraw/zinc/11/26/43/509112643.db2.gz MQACQERKOJXXOZ-UHFFFAOYSA-N 1 2 350.403 2.744 20 30 FFEDLO COc1ccc(C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)cc1C#N ZINC000121044339 509116998 /nfs/dbraw/zinc/11/69/98/509116998.db2.gz ZAIGDAIRZBUSNA-AWEZNQCLSA-N 1 2 367.413 2.612 20 30 FFEDLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000121147439 509138261 /nfs/dbraw/zinc/13/82/61/509138261.db2.gz XQOTURJEORGVLS-ICSRJNTNSA-N 1 2 354.498 2.660 20 30 FFEDLO CCOC(=O)CC[C@@H]1CCC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000162091097 509171983 /nfs/dbraw/zinc/17/19/83/509171983.db2.gz JPBBUYGRRAVHNO-HNNXBMFYSA-N 1 2 361.442 2.762 20 30 FFEDLO CCOC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000162091097 509171984 /nfs/dbraw/zinc/17/19/84/509171984.db2.gz JPBBUYGRRAVHNO-HNNXBMFYSA-N 1 2 361.442 2.762 20 30 FFEDLO N#CCCN(C(=O)C[NH+]1CCN(c2cccs2)CC1)c1ccccc1 ZINC000121427650 509173295 /nfs/dbraw/zinc/17/32/95/509173295.db2.gz TZJZZSVKLOSZFH-UHFFFAOYSA-N 1 2 354.479 2.817 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000121463684 509175126 /nfs/dbraw/zinc/17/51/26/509175126.db2.gz BXNGBWDXJUHHRT-FQEVSTJZSA-N 1 2 358.449 2.650 20 30 FFEDLO CC(C)CN(C(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1)C(C)C ZINC000121488709 509176560 /nfs/dbraw/zinc/17/65/60/509176560.db2.gz IAQWCYUHALZEKG-HXUWFJFHSA-N 1 2 356.514 2.762 20 30 FFEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000121622857 509179588 /nfs/dbraw/zinc/17/95/88/509179588.db2.gz GQZXBEXPYAWFQJ-LJQANCHMSA-N 1 2 351.406 2.666 20 30 FFEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000121622857 509179589 /nfs/dbraw/zinc/17/95/89/509179589.db2.gz GQZXBEXPYAWFQJ-LJQANCHMSA-N 1 2 351.406 2.666 20 30 FFEDLO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)nc1 ZINC000191941095 509255386 /nfs/dbraw/zinc/25/53/86/509255386.db2.gz SPMTZZZALUBMRJ-UHFFFAOYSA-N 1 2 368.412 2.591 20 30 FFEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000267068632 509333917 /nfs/dbraw/zinc/33/39/17/509333917.db2.gz VHGFEEWEWDJUOI-QWXGXRTQSA-N 1 2 369.490 2.605 20 30 FFEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000267068632 509333924 /nfs/dbraw/zinc/33/39/24/509333924.db2.gz VHGFEEWEWDJUOI-QWXGXRTQSA-N 1 2 369.490 2.605 20 30 FFEDLO COc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1Cl ZINC000179363523 509400419 /nfs/dbraw/zinc/40/04/19/509400419.db2.gz ZBNWVTQDBDTOJF-ZDUSSCGKSA-N 1 2 357.845 2.721 20 30 FFEDLO COc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1Cl ZINC000179363523 509400427 /nfs/dbraw/zinc/40/04/27/509400427.db2.gz ZBNWVTQDBDTOJF-ZDUSSCGKSA-N 1 2 357.845 2.721 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000192244660 509425465 /nfs/dbraw/zinc/42/54/65/509425465.db2.gz HIYCRBRRZLAKCE-UHFFFAOYSA-N 1 2 360.483 2.559 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000186255471 509604899 /nfs/dbraw/zinc/60/48/99/509604899.db2.gz KIOHKNLXQFAYMJ-UHFFFAOYSA-N 1 2 371.510 2.907 20 30 FFEDLO C[S@@](=O)C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000183113766 509604885 /nfs/dbraw/zinc/60/48/85/509604885.db2.gz VOIAQQUMURLSIE-MRDQGFSESA-N 1 2 366.446 2.818 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000189524391 509620316 /nfs/dbraw/zinc/62/03/16/509620316.db2.gz XPLGPKSFLPJKBI-UHFFFAOYSA-N 1 2 373.526 2.546 20 30 FFEDLO C[C@H](c1ccco1)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000183168546 509637645 /nfs/dbraw/zinc/63/76/45/509637645.db2.gz MZTCYBWNXMAEQQ-CVEARBPZSA-N 1 2 372.494 2.743 20 30 FFEDLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000183168546 509637651 /nfs/dbraw/zinc/63/76/51/509637651.db2.gz MZTCYBWNXMAEQQ-CVEARBPZSA-N 1 2 372.494 2.743 20 30 FFEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCCO[C@@H]3CCCCO3)c2)n1 ZINC000192838324 509666082 /nfs/dbraw/zinc/66/60/82/509666082.db2.gz SNUXVCMPMZZRSB-LJQANCHMSA-N 1 2 372.469 2.728 20 30 FFEDLO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000267940930 509680442 /nfs/dbraw/zinc/68/04/42/509680442.db2.gz QFMXFSORGLASHT-GOSISDBHSA-N 1 2 355.463 2.655 20 30 FFEDLO CC[C@]1(CO)CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000249579634 509716721 /nfs/dbraw/zinc/71/67/21/509716721.db2.gz QMSPFJKUIZSNDD-YJYMSZOUSA-N 1 2 361.511 2.920 20 30 FFEDLO CC[C@]1(CO)CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000249579634 509716724 /nfs/dbraw/zinc/71/67/24/509716724.db2.gz QMSPFJKUIZSNDD-YJYMSZOUSA-N 1 2 361.511 2.920 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000183365735 509742620 /nfs/dbraw/zinc/74/26/20/509742620.db2.gz BEPAETLKAKGQAC-GOSISDBHSA-N 1 2 374.437 2.624 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000183365735 509742628 /nfs/dbraw/zinc/74/26/28/509742628.db2.gz BEPAETLKAKGQAC-GOSISDBHSA-N 1 2 374.437 2.624 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)C[C@@H](C)C#N ZINC000250639809 509802701 /nfs/dbraw/zinc/80/27/01/509802701.db2.gz SOSZRBDTDALKEK-WMZOPIPTSA-N 1 2 371.481 2.993 20 30 FFEDLO CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)C[C@@H](C)C#N ZINC000250639809 509802707 /nfs/dbraw/zinc/80/27/07/509802707.db2.gz SOSZRBDTDALKEK-WMZOPIPTSA-N 1 2 371.481 2.993 20 30 FFEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)c2cc(C#N)cs2)CC1 ZINC000186622241 509808168 /nfs/dbraw/zinc/80/81/68/509808168.db2.gz AORRKCVRUALLIY-UHFFFAOYSA-N 1 2 368.462 2.536 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000268315853 509866743 /nfs/dbraw/zinc/86/67/43/509866743.db2.gz IMNVZBFKMYHWRC-SJLPKXTDSA-N 1 2 352.438 2.688 20 30 FFEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)c2ccccc2C1 ZINC000183646604 509904161 /nfs/dbraw/zinc/90/41/61/509904161.db2.gz UIICKJQYKQVVFT-UHFFFAOYSA-N 1 2 361.854 2.852 20 30 FFEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)c2ccccc2C1 ZINC000183646604 509904168 /nfs/dbraw/zinc/90/41/68/509904168.db2.gz UIICKJQYKQVVFT-UHFFFAOYSA-N 1 2 361.854 2.852 20 30 FFEDLO CC(C)CO[C@@H](C)c1noc(CO[NH+]=C(N)c2ccc(F)c(F)c2)n1 ZINC000174115989 509954999 /nfs/dbraw/zinc/95/49/99/509954999.db2.gz OQBKFKSTBRKEEA-JTQLQIEISA-N 1 2 354.357 2.919 20 30 FFEDLO Cc1nc(CC(N)=[NH+]OCC(=O)Nc2sc(C)c(C)c2C)cs1 ZINC000174121092 509957454 /nfs/dbraw/zinc/95/74/54/509957454.db2.gz ROUZGSFYFPAZMQ-UHFFFAOYSA-N 1 2 352.485 2.908 20 30 FFEDLO C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000190147598 509967349 /nfs/dbraw/zinc/96/73/49/509967349.db2.gz VGJMOTGPONJXFI-CQSZACIVSA-N 1 2 365.437 2.585 20 30 FFEDLO COCCCOC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000177291701 509980610 /nfs/dbraw/zinc/98/06/10/509980610.db2.gz ABKNEAUJCSDVJO-UHFFFAOYSA-N 1 2 365.499 2.693 20 30 FFEDLO Cc1ccc([C@@H](CNC(=O)c2cccc(F)c2C#N)[NH+]2CCOCC2)cc1 ZINC000186978066 509984355 /nfs/dbraw/zinc/98/43/55/509984355.db2.gz NAIWLJSLFYBLSQ-HXUWFJFHSA-N 1 2 367.424 2.809 20 30 FFEDLO COc1cc(OC[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)ccc1C#N ZINC000193767936 510058163 /nfs/dbraw/zinc/05/81/63/510058163.db2.gz ARMACZFFMBSMNY-MRXNPFEDSA-N 1 2 351.406 2.973 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCO[C@@H](Cc4ccccc4)C3)C2=O)cc1 ZINC000245642682 510058377 /nfs/dbraw/zinc/05/83/77/510058377.db2.gz ZJSZOUVLGLSXSL-SFTDATJTSA-N 1 2 361.445 2.607 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCO[C@@H](Cc4ccccc4)C3)C2=O)cc1 ZINC000245642682 510058385 /nfs/dbraw/zinc/05/83/85/510058385.db2.gz ZJSZOUVLGLSXSL-SFTDATJTSA-N 1 2 361.445 2.607 20 30 FFEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193770658 510059913 /nfs/dbraw/zinc/05/99/13/510059913.db2.gz DGHSBGDPNZTUKK-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1C ZINC000193769623 510060586 /nfs/dbraw/zinc/06/05/86/510060586.db2.gz QEDATEUIMGLPJP-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO CSCC[C@H](C)[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265464559 510069216 /nfs/dbraw/zinc/06/92/16/510069216.db2.gz AWMDFMFYFHCRMU-JSGCOSHPSA-N 1 2 358.467 2.585 20 30 FFEDLO CSCC[C@H](C)[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265464559 510069223 /nfs/dbraw/zinc/06/92/23/510069223.db2.gz AWMDFMFYFHCRMU-JSGCOSHPSA-N 1 2 358.467 2.585 20 30 FFEDLO COc1cc(C#N)ccc1C[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000180986624 510223863 /nfs/dbraw/zinc/22/38/63/510223863.db2.gz CINXUBXALYZBPZ-UHFFFAOYSA-N 1 2 361.449 2.761 20 30 FFEDLO N#Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c(Cl)c1 ZINC000269101774 510235333 /nfs/dbraw/zinc/23/53/33/510235333.db2.gz GHIYSFGAHWIUFF-UHFFFAOYSA-N 1 2 371.828 2.765 20 30 FFEDLO C[C@@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000184279615 510237691 /nfs/dbraw/zinc/23/76/91/510237691.db2.gz XRJXJPIDFYHPBV-HNNXBMFYSA-N 1 2 372.432 2.524 20 30 FFEDLO C[C@@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000184279615 510237698 /nfs/dbraw/zinc/23/76/98/510237698.db2.gz XRJXJPIDFYHPBV-HNNXBMFYSA-N 1 2 372.432 2.524 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)CSCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181098924 510276079 /nfs/dbraw/zinc/27/60/79/510276079.db2.gz HFVAPDDDMCPPFE-ZBFHGGJFSA-N 1 2 355.866 2.987 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)CSCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181098924 510276084 /nfs/dbraw/zinc/27/60/84/510276084.db2.gz HFVAPDDDMCPPFE-ZBFHGGJFSA-N 1 2 355.866 2.987 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000181099468 510276223 /nfs/dbraw/zinc/27/62/23/510276223.db2.gz UJJBEUHPLABODW-KRWDZBQOSA-N 1 2 355.486 2.906 20 30 FFEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194741065 510505308 /nfs/dbraw/zinc/50/53/08/510505308.db2.gz DTFLPXGRPARBBD-FUHIMQAGSA-N 1 2 373.497 2.529 20 30 FFEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194741065 510505316 /nfs/dbraw/zinc/50/53/16/510505316.db2.gz DTFLPXGRPARBBD-FUHIMQAGSA-N 1 2 373.497 2.529 20 30 FFEDLO CSCc1ccccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000184774555 510510185 /nfs/dbraw/zinc/51/01/85/510510185.db2.gz FKJZQCIYQZKKGB-UHFFFAOYSA-N 1 2 362.499 2.629 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000184941965 510596259 /nfs/dbraw/zinc/59/62/59/510596259.db2.gz PCMUYGDEJCFKHF-KRWDZBQOSA-N 1 2 360.820 2.601 20 30 FFEDLO C=C(C)[C@@H](CC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1)OCC ZINC000270143617 510692222 /nfs/dbraw/zinc/69/22/22/510692222.db2.gz SRQXSSQFZUNLPX-HZPDHXFCSA-N 1 2 352.500 2.609 20 30 FFEDLO Cc1cc(N2CCN(C(=O)c3ccc(CC#N)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000270332247 510766269 /nfs/dbraw/zinc/76/62/69/510766269.db2.gz XLKYRZUNDRHYOJ-UHFFFAOYSA-N 1 2 363.465 2.937 20 30 FFEDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nnc2ccccn21 ZINC000172612983 510820516 /nfs/dbraw/zinc/82/05/16/510820516.db2.gz XYLNBODWLHBMGM-LLVKDONJSA-N 1 2 354.801 2.544 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000247113627 510837618 /nfs/dbraw/zinc/83/76/18/510837618.db2.gz VZGYUHGNMVHYRM-SFHVURJKSA-N 1 2 355.463 2.544 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000247113627 510837621 /nfs/dbraw/zinc/83/76/21/510837621.db2.gz VZGYUHGNMVHYRM-SFHVURJKSA-N 1 2 355.463 2.544 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2csc(Cc3ccc(F)cc3)n2)CC1 ZINC000263794152 510842541 /nfs/dbraw/zinc/84/25/41/510842541.db2.gz JAFNAQVBGYYREH-UHFFFAOYSA-N 1 2 357.454 2.654 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247462673 510861772 /nfs/dbraw/zinc/86/17/72/510861772.db2.gz UMYODNYXMXLIIY-CGTJXYLNSA-N 1 2 364.511 2.531 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247462673 510861773 /nfs/dbraw/zinc/86/17/73/510861773.db2.gz UMYODNYXMXLIIY-CGTJXYLNSA-N 1 2 364.511 2.531 20 30 FFEDLO CC[C@@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000247495949 510863154 /nfs/dbraw/zinc/86/31/54/510863154.db2.gz HMSAGZPLIRCIJT-RHSMWYFYSA-N 1 2 368.399 2.672 20 30 FFEDLO CC[C@@H]1C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000247495949 510863155 /nfs/dbraw/zinc/86/31/55/510863155.db2.gz HMSAGZPLIRCIJT-RHSMWYFYSA-N 1 2 368.399 2.672 20 30 FFEDLO O=C(C[N@@H+]1CCSC2(CCOCC2)C1)Nc1nc2c(s1)CCC2 ZINC000329924899 510878200 /nfs/dbraw/zinc/87/82/00/510878200.db2.gz JLJFEBFOGGGMDQ-UHFFFAOYSA-N 1 2 353.513 2.818 20 30 FFEDLO O=C(C[N@H+]1CCSC2(CCOCC2)C1)Nc1nc2c(s1)CCC2 ZINC000329924899 510878205 /nfs/dbraw/zinc/87/82/05/510878205.db2.gz JLJFEBFOGGGMDQ-UHFFFAOYSA-N 1 2 353.513 2.818 20 30 FFEDLO CCN1CCN(C(=O)NCCc2ccc(Cl)s2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329954953 510885940 /nfs/dbraw/zinc/88/59/40/510885940.db2.gz KJYNVAPJHWVQIL-CYBMUJFWSA-N 1 2 367.906 2.960 20 30 FFEDLO CCC1(CC)Oc2ccc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)cc2O1 ZINC000329962267 510888474 /nfs/dbraw/zinc/88/84/74/510888474.db2.gz SADUIYRKNPEDOP-RHSMWYFYSA-N 1 2 361.442 2.534 20 30 FFEDLO CCC1(CC)Oc2ccc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)cc2O1 ZINC000329962267 510888484 /nfs/dbraw/zinc/88/84/84/510888484.db2.gz SADUIYRKNPEDOP-RHSMWYFYSA-N 1 2 361.442 2.534 20 30 FFEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)C[C@H]21 ZINC000329966110 510889027 /nfs/dbraw/zinc/88/90/27/510889027.db2.gz RNKUEYBPGXNNIK-QAPCUYQASA-N 1 2 373.453 2.679 20 30 FFEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)C[C@H]21 ZINC000329966110 510889030 /nfs/dbraw/zinc/88/90/30/510889030.db2.gz RNKUEYBPGXNNIK-QAPCUYQASA-N 1 2 373.453 2.679 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000329969448 510889724 /nfs/dbraw/zinc/88/97/24/510889724.db2.gz XJIYCALOIMOSMM-NVXWUHKLSA-N 1 2 371.485 2.702 20 30 FFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CC[C@]2(C1)OCc1ccccc12 ZINC000329981200 510892045 /nfs/dbraw/zinc/89/20/45/510892045.db2.gz MUKUFZLTPVPVII-HXUWFJFHSA-N 1 2 352.438 2.765 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000329985945 510893315 /nfs/dbraw/zinc/89/33/15/510893315.db2.gz RNEIQXSEQWHJPQ-SCTDSRPQSA-N 1 2 367.440 2.861 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000329985945 510893319 /nfs/dbraw/zinc/89/33/19/510893319.db2.gz RNEIQXSEQWHJPQ-SCTDSRPQSA-N 1 2 367.440 2.861 20 30 FFEDLO CCN1CCN(C(=O)NCc2ccn(C3CCCC3)n2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329996687 510897100 /nfs/dbraw/zinc/89/71/00/510897100.db2.gz PGOSANPZEJEQPA-KRWDZBQOSA-N 1 2 371.489 2.514 20 30 FFEDLO C[C@H](Sc1ccccn1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000330001677 510898580 /nfs/dbraw/zinc/89/85/80/510898580.db2.gz YEISBTUNZIOLKM-WMLDXEAASA-N 1 2 367.540 2.727 20 30 FFEDLO CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)c2C1 ZINC000330183225 510932058 /nfs/dbraw/zinc/93/20/58/510932058.db2.gz PQYATCCFJVIHJV-ZBFHGGJFSA-N 1 2 370.457 2.512 20 30 FFEDLO C=CCn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000282364668 510947358 /nfs/dbraw/zinc/94/73/58/510947358.db2.gz UAIKGEPKXCVXQG-UHFFFAOYSA-N 1 2 358.490 2.671 20 30 FFEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC2(C1)CCOCC2 ZINC000330251191 510948325 /nfs/dbraw/zinc/94/83/25/510948325.db2.gz HKDBZHWLZINGFW-UHFFFAOYSA-N 1 2 350.488 2.787 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2ccnc(OC3CCC3)c2)CCO1 ZINC000330320669 510963470 /nfs/dbraw/zinc/96/34/70/510963470.db2.gz FHIGKJDOWZNJJP-YOEHRIQHSA-N 1 2 356.426 2.971 20 30 FFEDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000285578985 510963717 /nfs/dbraw/zinc/96/37/17/510963717.db2.gz KUCGASSQBVFKKK-MRXNPFEDSA-N 1 2 369.425 2.709 20 30 FFEDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000285578985 510963722 /nfs/dbraw/zinc/96/37/22/510963722.db2.gz KUCGASSQBVFKKK-MRXNPFEDSA-N 1 2 369.425 2.709 20 30 FFEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1)c1ccccc1 ZINC000277734932 510970284 /nfs/dbraw/zinc/97/02/84/510970284.db2.gz KISVQGQRLDIWPN-YOEHRIQHSA-N 1 2 369.387 2.568 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1)c1ccccc1 ZINC000277734932 510970291 /nfs/dbraw/zinc/97/02/91/510970291.db2.gz KISVQGQRLDIWPN-YOEHRIQHSA-N 1 2 369.387 2.568 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285599029 510972260 /nfs/dbraw/zinc/97/22/60/510972260.db2.gz PLKSUCUDUYECAW-LRDDRELGSA-N 1 2 355.360 2.665 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285599029 510972262 /nfs/dbraw/zinc/97/22/62/510972262.db2.gz PLKSUCUDUYECAW-LRDDRELGSA-N 1 2 355.360 2.665 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)C(=O)CCC3)CCO1 ZINC000330359460 510972826 /nfs/dbraw/zinc/97/28/26/510972826.db2.gz WAZCIXAXKNSZLC-KXBFYZLASA-N 1 2 368.437 2.995 20 30 FFEDLO CC(C)c1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000278690777 511003659 /nfs/dbraw/zinc/00/36/59/511003659.db2.gz SGDKJTIVRWTNHT-WMZOPIPTSA-N 1 2 361.511 2.809 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000278711312 511004996 /nfs/dbraw/zinc/00/49/96/511004996.db2.gz PUVLZLNMKPTQEK-ZIAGYGMSSA-N 1 2 367.902 2.579 20 30 FFEDLO Cc1cc(NC(=O)NCCNC(=O)C(C)C)c[nH+]c1N1CCCC[C@H]1C ZINC000330782812 511016814 /nfs/dbraw/zinc/01/68/14/511016814.db2.gz PVINYOOZFKHNKR-OAHLLOKOSA-N 1 2 361.490 2.867 20 30 FFEDLO C=CCOc1ccc(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cc1 ZINC000286614777 511028993 /nfs/dbraw/zinc/02/89/93/511028993.db2.gz QOOPPWGSSYMMGD-QGZVFWFLSA-N 1 2 354.454 2.862 20 30 FFEDLO C=CCOc1ccc(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cc1 ZINC000286614777 511028998 /nfs/dbraw/zinc/02/89/98/511028998.db2.gz QOOPPWGSSYMMGD-QGZVFWFLSA-N 1 2 354.454 2.862 20 30 FFEDLO Cn1c(Cl)cnc1C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279349606 511054045 /nfs/dbraw/zinc/05/40/45/511054045.db2.gz FVJSXXFSPLVUSC-UHFFFAOYSA-N 1 2 369.860 2.878 20 30 FFEDLO Cn1c(Cl)cnc1C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279349606 511054047 /nfs/dbraw/zinc/05/40/47/511054047.db2.gz FVJSXXFSPLVUSC-UHFFFAOYSA-N 1 2 369.860 2.878 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(F)c(Br)c1 ZINC000331251659 511055256 /nfs/dbraw/zinc/05/52/56/511055256.db2.gz POLIHQXBBSJDGF-SNVBAGLBSA-N 1 2 360.227 2.635 20 30 FFEDLO C=CCCCN(C)C(=O)C(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000297751361 511056663 /nfs/dbraw/zinc/05/66/63/511056663.db2.gz JXVJWYWKJCEOLL-UHFFFAOYSA-N 1 2 368.481 2.933 20 30 FFEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000331346514 511063000 /nfs/dbraw/zinc/06/30/00/511063000.db2.gz WFIMNOPDIRCVGW-HNNXBMFYSA-N 1 2 367.490 2.774 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc3c(cc2OC(F)F)OCO3)n1 ZINC000279411016 511073010 /nfs/dbraw/zinc/07/30/10/511073010.db2.gz NSPQAZWTNBJETJ-UHFFFAOYSA-N 1 2 363.364 2.869 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc3c(cc2OC(F)F)OCO3)n1 ZINC000279411016 511073013 /nfs/dbraw/zinc/07/30/13/511073013.db2.gz NSPQAZWTNBJETJ-UHFFFAOYSA-N 1 2 363.364 2.869 20 30 FFEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000271140070 511094943 /nfs/dbraw/zinc/09/49/43/511094943.db2.gz UXVCHKZLGJPBLX-OAHLLOKOSA-N 1 2 351.878 2.642 20 30 FFEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000271140070 511094949 /nfs/dbraw/zinc/09/49/49/511094949.db2.gz UXVCHKZLGJPBLX-OAHLLOKOSA-N 1 2 351.878 2.642 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)c1ccccc1 ZINC000289758971 511113568 /nfs/dbraw/zinc/11/35/68/511113568.db2.gz ZCIMMTBOIWDLAG-ICSRJNTNSA-N 1 2 353.466 2.967 20 30 FFEDLO N#CCCN(C(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)c1ccccc1 ZINC000289758971 511113573 /nfs/dbraw/zinc/11/35/73/511113573.db2.gz ZCIMMTBOIWDLAG-ICSRJNTNSA-N 1 2 353.466 2.967 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccnn3-c3ccc(F)cc3)CC2)nc1 ZINC000279582001 511134501 /nfs/dbraw/zinc/13/45/01/511134501.db2.gz GVQOKNBJZRTLAX-UHFFFAOYSA-N 1 2 362.412 2.600 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)n1 ZINC000279672137 511172005 /nfs/dbraw/zinc/17/20/05/511172005.db2.gz FJUBGWPLTPZJOB-GSQFEDNKSA-N 1 2 368.525 2.812 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)n1 ZINC000279672137 511172009 /nfs/dbraw/zinc/17/20/09/511172009.db2.gz FJUBGWPLTPZJOB-GSQFEDNKSA-N 1 2 368.525 2.812 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)n1 ZINC000279792444 511216391 /nfs/dbraw/zinc/21/63/91/511216391.db2.gz VRYAQIBQTASBMU-CVEARBPZSA-N 1 2 356.445 2.743 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)n1 ZINC000279792444 511216399 /nfs/dbraw/zinc/21/63/99/511216399.db2.gz VRYAQIBQTASBMU-CVEARBPZSA-N 1 2 356.445 2.743 20 30 FFEDLO C[C@]12CC[N@H+](CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C[C@H]1C2(F)F ZINC000298287429 511235153 /nfs/dbraw/zinc/23/51/53/511235153.db2.gz OWGAGKGVVSBZBV-QAPCUYQASA-N 1 2 371.391 2.660 20 30 FFEDLO C[C@]12CC[N@@H+](CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C[C@H]1C2(F)F ZINC000298287429 511235158 /nfs/dbraw/zinc/23/51/58/511235158.db2.gz OWGAGKGVVSBZBV-QAPCUYQASA-N 1 2 371.391 2.660 20 30 FFEDLO CSc1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1C ZINC000271680170 511285554 /nfs/dbraw/zinc/28/55/54/511285554.db2.gz IJJPPSQMLUGIQY-UHFFFAOYSA-N 1 2 362.499 2.797 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(CCC#N)CC(F)(F)F ZINC000280103080 511337162 /nfs/dbraw/zinc/33/71/62/511337162.db2.gz KVVOJIYGUYDLQM-UHFFFAOYSA-N 1 2 360.286 2.928 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280224844 511383016 /nfs/dbraw/zinc/38/30/16/511383016.db2.gz ACFAEXLPGMJNHB-GJYPPUQNSA-N 1 2 364.511 2.531 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280224844 511383020 /nfs/dbraw/zinc/38/30/20/511383020.db2.gz ACFAEXLPGMJNHB-GJYPPUQNSA-N 1 2 364.511 2.531 20 30 FFEDLO COc1ccccc1C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@H]1CCCO1 ZINC000298721065 511386798 /nfs/dbraw/zinc/38/67/98/511386798.db2.gz NVKBZIIBYRKBPC-NQIIRXRSSA-N 1 2 373.497 2.731 20 30 FFEDLO COc1ccccc1C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@H]1CCCO1 ZINC000298721065 511386802 /nfs/dbraw/zinc/38/68/02/511386802.db2.gz NVKBZIIBYRKBPC-NQIIRXRSSA-N 1 2 373.497 2.731 20 30 FFEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000295434895 511403984 /nfs/dbraw/zinc/40/39/84/511403984.db2.gz OYKWOXFXOQSPQB-BXUZGUMPSA-N 1 2 368.275 2.744 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000363319337 511478600 /nfs/dbraw/zinc/47/86/00/511478600.db2.gz GMSCKIPMVJWJOP-CQSZACIVSA-N 1 2 359.499 2.649 20 30 FFEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCCc3csc(C)n3)cn2)n1 ZINC000272388756 511491729 /nfs/dbraw/zinc/49/17/29/511491729.db2.gz GPEBPAKHPIOYOA-UHFFFAOYSA-N 1 2 356.455 2.529 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272580842 511499870 /nfs/dbraw/zinc/49/98/70/511499870.db2.gz OHOCBNOMSPPDAT-HNNXBMFYSA-N 1 2 354.454 2.766 20 30 FFEDLO Cc1cc(Br)cn2cc(CCNC(=O)NCCCC#N)[nH+]c12 ZINC000273221879 511520561 /nfs/dbraw/zinc/52/05/61/511520561.db2.gz CCDULHQHFHZUSL-UHFFFAOYSA-N 1 2 364.247 2.551 20 30 FFEDLO Cc1cc(NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)nn1CCC#N ZINC000273464328 511527584 /nfs/dbraw/zinc/52/75/84/511527584.db2.gz QXTXVMIFHDNALJ-UHFFFAOYSA-N 1 2 355.446 2.552 20 30 FFEDLO Cc1noc(C)c1C(C)(C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000280694132 511566003 /nfs/dbraw/zinc/56/60/03/511566003.db2.gz ZVHCTSMVPWTHCD-UHFFFAOYSA-N 1 2 366.465 2.785 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(c3ncc(F)cn3)CC2)cc1OC ZINC000273783601 511607631 /nfs/dbraw/zinc/60/76/31/511607631.db2.gz TZXXIXZFMATOEG-UHFFFAOYSA-N 1 2 358.417 2.511 20 30 FFEDLO C#Cc1cccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1 ZINC000280940676 511660083 /nfs/dbraw/zinc/66/00/83/511660083.db2.gz GEHOALACWFVYJT-RTWAWAEBSA-N 1 2 361.445 2.785 20 30 FFEDLO C#Cc1cccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1 ZINC000280940676 511660091 /nfs/dbraw/zinc/66/00/91/511660091.db2.gz GEHOALACWFVYJT-RTWAWAEBSA-N 1 2 361.445 2.785 20 30 FFEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1O ZINC000299628880 511666006 /nfs/dbraw/zinc/66/60/06/511666006.db2.gz KUFPFNLFJIWPFM-ANKPHQHTSA-N 1 2 363.458 2.654 20 30 FFEDLO COc1cc(CNc2[nH+]cccc2OCCCC#N)cc([N+](=O)[O-])c1O ZINC000274279020 511778287 /nfs/dbraw/zinc/77/82/87/511778287.db2.gz UVZFWUFUAKHJKZ-UHFFFAOYSA-N 1 2 358.354 2.999 20 30 FFEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)C1=O ZINC000281370434 511821595 /nfs/dbraw/zinc/82/15/95/511821595.db2.gz OMQRMYJDHMVTKX-HOTGVXAUSA-N 1 2 354.372 2.866 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)C1=O ZINC000281370434 511821599 /nfs/dbraw/zinc/82/15/99/511821599.db2.gz OMQRMYJDHMVTKX-HOTGVXAUSA-N 1 2 354.372 2.866 20 30 FFEDLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCc2ccc(C#N)cc2)o1 ZINC000274495788 511854221 /nfs/dbraw/zinc/85/42/21/511854221.db2.gz RRRNLIQBRXDYQJ-GOSISDBHSA-N 1 2 353.422 2.751 20 30 FFEDLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)NCc2ccc(C#N)cc2)o1 ZINC000274495788 511854225 /nfs/dbraw/zinc/85/42/25/511854225.db2.gz RRRNLIQBRXDYQJ-GOSISDBHSA-N 1 2 353.422 2.751 20 30 FFEDLO Cc1noc(C2CCC(NC(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC2)n1 ZINC000328805017 511934053 /nfs/dbraw/zinc/93/40/53/511934053.db2.gz NADLSHPIEZZVSK-UYSNPLJNSA-N 1 2 370.457 2.582 20 30 FFEDLO Cc1cc([C@H]2CCCN(C([O-])=[NH+]CCc3cn4c([nH+]3)CCCC4)C2)n[nH]1 ZINC000328828035 511937485 /nfs/dbraw/zinc/93/74/85/511937485.db2.gz UBSDJEALSMIVNR-HNNXBMFYSA-N 1 2 356.474 2.587 20 30 FFEDLO Cc1cc([C@H]2CCCN(C([O-])=[NH+]CCc3cn4c([nH+]3)CCCC4)C2)[nH]n1 ZINC000328828035 511937490 /nfs/dbraw/zinc/93/74/90/511937490.db2.gz UBSDJEALSMIVNR-HNNXBMFYSA-N 1 2 356.474 2.587 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)C[C@H]1CCCS(=O)(=O)C1)C2 ZINC000328874835 511943987 /nfs/dbraw/zinc/94/39/87/511943987.db2.gz RUKSSNXRLUVDPG-KGLIPLIRSA-N 1 2 367.515 2.667 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(=O)[C@H](C)C3)n2)C1 ZINC000328941536 511952969 /nfs/dbraw/zinc/95/29/69/511952969.db2.gz ICZMBCBVXKPXTH-CHWSQXEVSA-N 1 2 350.488 2.831 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(=O)[C@H](C)C3)n2)C1 ZINC000328941536 511952975 /nfs/dbraw/zinc/95/29/75/511952975.db2.gz ICZMBCBVXKPXTH-CHWSQXEVSA-N 1 2 350.488 2.831 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000281753900 511954338 /nfs/dbraw/zinc/95/43/38/511954338.db2.gz IDGDWASQWRCTBI-NJAFHUGGSA-N 1 2 372.444 2.929 20 30 FFEDLO COc1ccc2c(c1)OC[C@H]([NH+]=C([O-])N1CCC(c3c[nH+]c[nH]3)CC1)C2 ZINC000328996617 511964570 /nfs/dbraw/zinc/96/45/70/511964570.db2.gz JYSMNRDVNOPSIY-OAHLLOKOSA-N 1 2 356.426 2.515 20 30 FFEDLO O=C(C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)Nc1ccc2c(c1)OCO2 ZINC000329030419 511970727 /nfs/dbraw/zinc/97/07/27/511970727.db2.gz LDKHDMKSZULIKX-GFCCVEGCSA-N 1 2 356.382 2.753 20 30 FFEDLO O=C(C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)Nc1ccc2c(c1)OCO2 ZINC000329030419 511970731 /nfs/dbraw/zinc/97/07/31/511970731.db2.gz LDKHDMKSZULIKX-GFCCVEGCSA-N 1 2 356.382 2.753 20 30 FFEDLO N#CC1(C(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)CCOCC1 ZINC000329080002 511979014 /nfs/dbraw/zinc/97/90/14/511979014.db2.gz CHVQAIYOLLSZCM-UHFFFAOYSA-N 1 2 352.438 2.664 20 30 FFEDLO CCn1cnc2c(c1=O)CC[N@H+](CC(=O)N[C@@H]1CCCc3ccccc31)C2 ZINC000329181903 511999669 /nfs/dbraw/zinc/99/96/69/511999669.db2.gz NOMMZDORLKRUQG-GOSISDBHSA-N 1 2 366.465 2.655 20 30 FFEDLO CCn1cnc2c(c1=O)CC[N@@H+](CC(=O)N[C@@H]1CCCc3ccccc31)C2 ZINC000329181903 511999674 /nfs/dbraw/zinc/99/96/74/511999674.db2.gz NOMMZDORLKRUQG-GOSISDBHSA-N 1 2 366.465 2.655 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)N[C@H]3CCOc4ccccc43)C2)[nH]1 ZINC000329256688 512015315 /nfs/dbraw/zinc/01/53/15/512015315.db2.gz AZYHUSLHVKIKCP-ZBFHGGJFSA-N 1 2 355.442 2.773 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)N[C@H]3CCOc4ccccc43)C2)[nH]1 ZINC000329256688 512015316 /nfs/dbraw/zinc/01/53/16/512015316.db2.gz AZYHUSLHVKIKCP-ZBFHGGJFSA-N 1 2 355.442 2.773 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)N[C@H]3CCOc4ccccc43)C2)n1 ZINC000329256688 512015318 /nfs/dbraw/zinc/01/53/18/512015318.db2.gz AZYHUSLHVKIKCP-ZBFHGGJFSA-N 1 2 355.442 2.773 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)N[C@H]3CCOc4ccccc43)C2)n1 ZINC000329256688 512015319 /nfs/dbraw/zinc/01/53/19/512015319.db2.gz AZYHUSLHVKIKCP-ZBFHGGJFSA-N 1 2 355.442 2.773 20 30 FFEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N[C@H]3CCOc4ccccc43)C2)n[nH]1 ZINC000329256688 512015321 /nfs/dbraw/zinc/01/53/21/512015321.db2.gz AZYHUSLHVKIKCP-ZBFHGGJFSA-N 1 2 355.442 2.773 20 30 FFEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N[C@H]3CCOc4ccccc43)C2)n[nH]1 ZINC000329256688 512015322 /nfs/dbraw/zinc/01/53/22/512015322.db2.gz AZYHUSLHVKIKCP-ZBFHGGJFSA-N 1 2 355.442 2.773 20 30 FFEDLO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000329344826 512030228 /nfs/dbraw/zinc/03/02/28/512030228.db2.gz ULAMVEXZENZLRV-FPSMNIFISA-N 1 2 360.502 2.936 20 30 FFEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)N[C@H](c1ccccc1)C1CCCC1 ZINC000329417012 512041779 /nfs/dbraw/zinc/04/17/79/512041779.db2.gz FXSZRABSGCAQAF-FUHWJXTLSA-N 1 2 370.453 2.951 20 30 FFEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)N[C@H](c1ccccc1)C1CCCC1 ZINC000329417012 512041788 /nfs/dbraw/zinc/04/17/88/512041788.db2.gz FXSZRABSGCAQAF-FUHWJXTLSA-N 1 2 370.453 2.951 20 30 FFEDLO C[C@@H]1COc2ccccc2CN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000329419978 512043632 /nfs/dbraw/zinc/04/36/32/512043632.db2.gz DHOMKZCRWLFDEX-WBVHZDCISA-N 1 2 352.438 2.857 20 30 FFEDLO C[C@@H]1C[C@H](C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC(=O)N1 ZINC000329461769 512052027 /nfs/dbraw/zinc/05/20/27/512052027.db2.gz SOHJYPQZLWNSLS-BPQIPLTHSA-N 1 2 359.470 2.641 20 30 FFEDLO O=C(NC1CCN(C(=O)c2ccccc2F)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329477112 512054840 /nfs/dbraw/zinc/05/48/40/512054840.db2.gz PSGONULJKZPXSI-CQSZACIVSA-N 1 2 370.428 2.846 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](c2nncn2C)C(C)C)c1 ZINC000285273929 512060444 /nfs/dbraw/zinc/06/04/44/512060444.db2.gz DZAWMBCPWUIPEB-IBGZPJMESA-N 1 2 368.485 2.666 20 30 FFEDLO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCCCS1(=O)=O ZINC000329585227 512074556 /nfs/dbraw/zinc/07/45/56/512074556.db2.gz MBYUDDHDFLKLRZ-KRWDZBQOSA-N 1 2 368.474 2.714 20 30 FFEDLO C[C@@H]1OCC[C@]1(C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000329765268 512095251 /nfs/dbraw/zinc/09/52/51/512095251.db2.gz WUAISQGMHQNULA-PLDPNSPWSA-N 1 2 353.413 2.781 20 30 FFEDLO C[C@@H]1OCC[C@]1(C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000329765268 512095254 /nfs/dbraw/zinc/09/52/54/512095254.db2.gz WUAISQGMHQNULA-PLDPNSPWSA-N 1 2 353.413 2.781 20 30 FFEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@@H]1CCCc2n[nH]cc21 ZINC000329832474 512102477 /nfs/dbraw/zinc/10/24/77/512102477.db2.gz KWSORLZNJHFGNJ-CYBMUJFWSA-N 1 2 366.425 2.831 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[C@H](n3cccn3)C1)C2 ZINC000329833293 512102669 /nfs/dbraw/zinc/10/26/69/512102669.db2.gz UFABGBYDUBMYIQ-GJZGRUSLSA-N 1 2 356.474 2.553 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000378047934 512563074 /nfs/dbraw/zinc/56/30/74/512563074.db2.gz MRLQDIXWRYXKRQ-UHFFFAOYSA-N 1 2 353.426 2.737 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000378047934 512563077 /nfs/dbraw/zinc/56/30/77/512563077.db2.gz MRLQDIXWRYXKRQ-UHFFFAOYSA-N 1 2 353.426 2.737 20 30 FFEDLO CCC1CCC([NH2+]CCC(=O)Nc2ccccc2C#N)(C(=O)OC)CC1 ZINC000411387463 512611468 /nfs/dbraw/zinc/61/14/68/512611468.db2.gz RWNCEFANJBPJJW-UHFFFAOYSA-N 1 2 357.454 2.988 20 30 FFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000378226673 512648513 /nfs/dbraw/zinc/64/85/13/512648513.db2.gz BACZXGULQPNPNO-LLVKDONJSA-N 1 2 350.831 2.503 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000376275292 512744884 /nfs/dbraw/zinc/74/48/84/512744884.db2.gz OXLJBJMCMPMJEJ-LJQANCHMSA-N 1 2 359.433 2.701 20 30 FFEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374351220 512784936 /nfs/dbraw/zinc/78/49/36/512784936.db2.gz BWARDMRYTDCYPS-WMZOPIPTSA-N 1 2 352.438 2.711 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000370295420 512863771 /nfs/dbraw/zinc/86/37/71/512863771.db2.gz WBTSGFNLFWDLEY-MSOLQXFVSA-N 1 2 354.498 2.976 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374524540 512872190 /nfs/dbraw/zinc/87/21/90/512872190.db2.gz ZITSRXSNAVRVCH-IFMALSPDSA-N 1 2 364.445 2.798 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374524540 512872195 /nfs/dbraw/zinc/87/21/95/512872195.db2.gz ZITSRXSNAVRVCH-IFMALSPDSA-N 1 2 364.445 2.798 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374762737 512989724 /nfs/dbraw/zinc/98/97/24/512989724.db2.gz QNLBSLOLWNJUIS-RDJZCZTQSA-N 1 2 362.355 2.869 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374762737 512989729 /nfs/dbraw/zinc/98/97/29/512989729.db2.gz QNLBSLOLWNJUIS-RDJZCZTQSA-N 1 2 362.355 2.869 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000376812905 512996904 /nfs/dbraw/zinc/99/69/04/512996904.db2.gz TYPLBUSMZVZGCK-WMZOPIPTSA-N 1 2 359.470 2.968 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000408365979 513053431 /nfs/dbraw/zinc/05/34/31/513053431.db2.gz MLDAORDGAGWPNL-DVOMOZLQSA-N 1 2 361.511 2.918 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000408365979 513053436 /nfs/dbraw/zinc/05/34/36/513053436.db2.gz MLDAORDGAGWPNL-DVOMOZLQSA-N 1 2 361.511 2.918 20 30 FFEDLO Cc1[nH]c(C#N)cc1C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000450333449 513146796 /nfs/dbraw/zinc/14/67/96/513146796.db2.gz XELGPAKNDHPVEN-UHFFFAOYSA-N 1 2 359.433 2.833 20 30 FFEDLO C=CCC1(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CCOCC1 ZINC000424569877 513186296 /nfs/dbraw/zinc/18/62/96/513186296.db2.gz VXHZZBIWHUFXAF-UHFFFAOYSA-N 1 2 353.466 2.963 20 30 FFEDLO C=CCC1(C(=O)NC[C@H](c2cccc(C)c2)[NH+]2CCOCC2)CCOCC1 ZINC000424584049 513192368 /nfs/dbraw/zinc/19/23/68/513192368.db2.gz NEWUBRBRIXTQFI-HXUWFJFHSA-N 1 2 372.509 2.857 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)nc1 ZINC000428790478 513192483 /nfs/dbraw/zinc/19/24/83/513192483.db2.gz QPHZJNLFIPHCPN-KRWDZBQOSA-N 1 2 372.388 2.528 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)nc1 ZINC000428790478 513192491 /nfs/dbraw/zinc/19/24/91/513192491.db2.gz QPHZJNLFIPHCPN-KRWDZBQOSA-N 1 2 372.388 2.528 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000450530446 513238335 /nfs/dbraw/zinc/23/83/35/513238335.db2.gz YUYKQJLHJWXSAL-BLBBIFAFSA-N 1 2 368.399 2.947 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000450530446 513238337 /nfs/dbraw/zinc/23/83/37/513238337.db2.gz YUYKQJLHJWXSAL-BLBBIFAFSA-N 1 2 368.399 2.947 20 30 FFEDLO C=CCCn1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)nn1 ZINC000424733116 513258205 /nfs/dbraw/zinc/25/82/05/513258205.db2.gz IAXFDJXYERXKEY-SFHVURJKSA-N 1 2 364.453 2.839 20 30 FFEDLO N#Cc1ccnc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1Cl ZINC000429201258 513303727 /nfs/dbraw/zinc/30/37/27/513303727.db2.gz RPSDIHNOAUVNPU-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000429257528 513318788 /nfs/dbraw/zinc/31/87/88/513318788.db2.gz NSBLOEPMSJAPSN-MRXNPFEDSA-N 1 2 358.461 2.679 20 30 FFEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000429257528 513318797 /nfs/dbraw/zinc/31/87/97/513318797.db2.gz NSBLOEPMSJAPSN-MRXNPFEDSA-N 1 2 358.461 2.679 20 30 FFEDLO C[C@H](C(=O)N1CCCC(C)(C)[C@@H]1C#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000434449170 513326564 /nfs/dbraw/zinc/32/65/64/513326564.db2.gz BGSGJSYYAJFZAH-APWZRJJASA-N 1 2 372.488 2.877 20 30 FFEDLO Cc1cc(NC[C@@H](CO)Cc2cccc(Br)c2)c(C#N)c[nH+]1 ZINC000425257218 513478214 /nfs/dbraw/zinc/47/82/14/513478214.db2.gz IJNFVDPLLIYZJI-AWEZNQCLSA-N 1 2 360.255 2.709 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000441083731 513478676 /nfs/dbraw/zinc/47/86/76/513478676.db2.gz GXECDUCDYROIJB-BEFAXECRSA-N 1 2 353.507 2.837 20 30 FFEDLO C[C@@]1(F)CCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000451109091 513530222 /nfs/dbraw/zinc/53/02/22/513530222.db2.gz AGFWDKYIFMGSJD-QGZVFWFLSA-N 1 2 356.363 2.997 20 30 FFEDLO C[C@@]1(F)CCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000451109091 513530230 /nfs/dbraw/zinc/53/02/30/513530230.db2.gz AGFWDKYIFMGSJD-QGZVFWFLSA-N 1 2 356.363 2.997 20 30 FFEDLO CN(CCCn1cc[nH+]c1)C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000430306560 513617736 /nfs/dbraw/zinc/61/77/36/513617736.db2.gz TVMNXLYYFIUHBD-UHFFFAOYSA-N 1 2 362.437 2.823 20 30 FFEDLO COc1ccc(-c2noc(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)n2)nn1 ZINC000425541565 513629219 /nfs/dbraw/zinc/62/92/19/513629219.db2.gz WYWRYUDKNHRVIK-GFCCVEGCSA-N 1 2 350.382 2.600 20 30 FFEDLO COc1ccc(-c2noc(C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)n2)nn1 ZINC000425541565 513629223 /nfs/dbraw/zinc/62/92/23/513629223.db2.gz WYWRYUDKNHRVIK-GFCCVEGCSA-N 1 2 350.382 2.600 20 30 FFEDLO N#Cc1ccc(C2(C(=O)N3CC[NH+](Cc4cccs4)CC3)CC2)cc1 ZINC000435829589 513693308 /nfs/dbraw/zinc/69/33/08/513693308.db2.gz WWWMWVNSTCAVPV-UHFFFAOYSA-N 1 2 351.475 2.996 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)cc1 ZINC000442828509 513790089 /nfs/dbraw/zinc/79/00/89/513790089.db2.gz NACSPGJZUOEBGD-NRFANRHFSA-N 1 2 374.481 2.787 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCC1(CC#N)CC1 ZINC000431186437 513848672 /nfs/dbraw/zinc/84/86/72/513848672.db2.gz HFYQUHDANZXWFA-SFHVURJKSA-N 1 2 370.497 2.613 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000416591282 513852823 /nfs/dbraw/zinc/85/28/23/513852823.db2.gz LGBUKKUTNLHDIO-OAHLLOKOSA-N 1 2 373.453 2.592 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000416591282 513852833 /nfs/dbraw/zinc/85/28/33/513852833.db2.gz LGBUKKUTNLHDIO-OAHLLOKOSA-N 1 2 373.453 2.592 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451654957 513891080 /nfs/dbraw/zinc/89/10/80/513891080.db2.gz PYJQSEIHBMFGHW-KRWDZBQOSA-N 1 2 367.478 2.510 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCSC[C@H]1C1CC1 ZINC000451654957 513891088 /nfs/dbraw/zinc/89/10/88/513891088.db2.gz PYJQSEIHBMFGHW-KRWDZBQOSA-N 1 2 367.478 2.510 20 30 FFEDLO C=CCC[C@@H]1NC(=O)N(Cc2[nH+]ccn2CCCc2ccccc2)C1=O ZINC000419950398 513978223 /nfs/dbraw/zinc/97/82/23/513978223.db2.gz MFHCJBHDAQZTGR-KRWDZBQOSA-N 1 2 352.438 2.903 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCOC[C@H]2c2ccc(F)cc2)cc1 ZINC000451789065 513981161 /nfs/dbraw/zinc/98/11/61/513981161.db2.gz PUVGMVVOLCOOSR-ICSRJNTNSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@H]2c2ccc(F)cc2)cc1 ZINC000451789065 513981171 /nfs/dbraw/zinc/98/11/71/513981171.db2.gz PUVGMVVOLCOOSR-ICSRJNTNSA-N 1 2 356.397 2.511 20 30 FFEDLO Cc1cccc2c1O[C@@H](C(=O)N1CC[NH+](Cc3ccc(C#N)cc3)CC1)C2 ZINC000449039112 514045374 /nfs/dbraw/zinc/04/53/74/514045374.db2.gz AZCVTKASTWWOKO-HXUWFJFHSA-N 1 2 361.445 2.515 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CCOC)Cc1ccc(F)c(Cl)c1 ZINC000451984644 514110224 /nfs/dbraw/zinc/11/02/24/514110224.db2.gz VTRXQZOPLYXYDT-AWEZNQCLSA-N 1 2 369.868 2.936 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CCOC)Cc1ccc(F)c(Cl)c1 ZINC000451984644 514110235 /nfs/dbraw/zinc/11/02/35/514110235.db2.gz VTRXQZOPLYXYDT-AWEZNQCLSA-N 1 2 369.868 2.936 20 30 FFEDLO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000432288058 514149650 /nfs/dbraw/zinc/14/96/50/514149650.db2.gz YLWACZGKLWRHRW-KRWDZBQOSA-N 1 2 370.409 2.831 20 30 FFEDLO C=CC[N@H+](Cc1nnc(C(C)(C)C)[nH]1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000432834662 514296959 /nfs/dbraw/zinc/29/69/59/514296959.db2.gz CVTYRVKARYISOV-CQSZACIVSA-N 1 2 366.473 2.827 20 30 FFEDLO C=CC[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000432834662 514296971 /nfs/dbraw/zinc/29/69/71/514296971.db2.gz CVTYRVKARYISOV-CQSZACIVSA-N 1 2 366.473 2.827 20 30 FFEDLO Cc1ncc(S(=O)(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc1C#N ZINC000427789547 514315356 /nfs/dbraw/zinc/31/53/56/514315356.db2.gz OUOJRAAYJTYZEF-UHFFFAOYSA-N 1 2 364.858 2.778 20 30 FFEDLO C=CCNc1ncc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)s1 ZINC000432917563 514322370 /nfs/dbraw/zinc/32/23/70/514322370.db2.gz LNZHXOZBIJJSIL-HNNXBMFYSA-N 1 2 371.441 2.555 20 30 FFEDLO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444772625 514327314 /nfs/dbraw/zinc/32/73/14/514327314.db2.gz WRPLNOUIEZWSRJ-INIZCTEOSA-N 1 2 374.916 2.981 20 30 FFEDLO CCc1ccnc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000438218209 514333211 /nfs/dbraw/zinc/33/32/11/514333211.db2.gz UUTVOHUIMMYSQN-UHFFFAOYSA-N 1 2 363.465 2.543 20 30 FFEDLO Cc1cc(NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cc[nH+]1 ZINC000444938415 514373378 /nfs/dbraw/zinc/37/33/78/514373378.db2.gz WARFKCHGEDZPNG-UHFFFAOYSA-N 1 2 355.829 2.691 20 30 FFEDLO O=C1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H]2CCCC[C@H]2N1 ZINC000438542593 514399289 /nfs/dbraw/zinc/39/92/89/514399289.db2.gz WQOWJAUQZWIUNZ-HZPDHXFCSA-N 1 2 352.356 2.680 20 30 FFEDLO O=C1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H]2CCCC[C@H]2N1 ZINC000438542593 514399290 /nfs/dbraw/zinc/39/92/90/514399290.db2.gz WQOWJAUQZWIUNZ-HZPDHXFCSA-N 1 2 352.356 2.680 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[S@@](=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445544233 514491807 /nfs/dbraw/zinc/49/18/07/514491807.db2.gz OJWBATMDNMCUEX-VWLOTQADSA-N 1 2 359.495 2.605 20 30 FFEDLO N#Cc1cnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000450219156 514549346 /nfs/dbraw/zinc/54/93/46/514549346.db2.gz CCQMSNDTXHGLNB-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO CC(C)(C)CN1CCC[C@H]([NH+]2CCN(c3ccccc3C#N)CC2)C1=O ZINC000461395066 514590194 /nfs/dbraw/zinc/59/01/94/514590194.db2.gz AGMHHOWNYLYRDC-IBGZPJMESA-N 1 2 354.498 2.717 20 30 FFEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000466322786 514610956 /nfs/dbraw/zinc/61/09/56/514610956.db2.gz RFESHFQLVROGFW-KRWDZBQOSA-N 1 2 361.486 2.886 20 30 FFEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471011255 514716084 /nfs/dbraw/zinc/71/60/84/514716084.db2.gz IVEQOZPTELGQOF-LPHOPBHVSA-N 1 2 374.916 2.923 20 30 FFEDLO N#Cc1ncc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1Cl ZINC000455751829 514720097 /nfs/dbraw/zinc/72/00/97/514720097.db2.gz IGOOCALETDOWJB-UHFFFAOYSA-N 1 2 356.817 2.924 20 30 FFEDLO Cc1cc(C(=O)NCCc2cn3ccccc3[nH+]2)nn1-c1cccc(C#N)c1 ZINC000502649891 514726515 /nfs/dbraw/zinc/72/65/15/514726515.db2.gz FUUZXAOKFJKJQQ-UHFFFAOYSA-N 1 2 370.416 2.673 20 30 FFEDLO Cc1nc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c(Cl)cc1C#N ZINC000461778203 514731796 /nfs/dbraw/zinc/73/17/96/514731796.db2.gz OGDVJZFJIPNTQG-INIZCTEOSA-N 1 2 352.891 2.535 20 30 FFEDLO N#CCc1cccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000455946209 514855403 /nfs/dbraw/zinc/85/54/03/514855403.db2.gz MLIGCAVYXZMDGN-HXUWFJFHSA-N 1 2 364.449 2.948 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000458585228 514926225 /nfs/dbraw/zinc/92/62/25/514926225.db2.gz VEBCVEBIZACLRK-MJGOQNOKSA-N 1 2 356.470 2.868 20 30 FFEDLO C=C(CC)CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000458604722 514945670 /nfs/dbraw/zinc/94/56/70/514945670.db2.gz IUWZIWFJXZOULY-SJORKVTESA-N 1 2 351.878 2.977 20 30 FFEDLO C=C(CC)CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000458604722 514945679 /nfs/dbraw/zinc/94/56/79/514945679.db2.gz IUWZIWFJXZOULY-SJORKVTESA-N 1 2 351.878 2.977 20 30 FFEDLO Cc1onc(CC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1C#N ZINC000498533174 514951488 /nfs/dbraw/zinc/95/14/88/514951488.db2.gz WLWPDBBCYCZDRJ-NSHDSACASA-N 1 2 359.455 2.724 20 30 FFEDLO Cc1onc(CC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1C#N ZINC000498533174 514951495 /nfs/dbraw/zinc/95/14/95/514951495.db2.gz WLWPDBBCYCZDRJ-NSHDSACASA-N 1 2 359.455 2.724 20 30 FFEDLO CC(C)(C)Oc1cccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)n1 ZINC000508915897 514956153 /nfs/dbraw/zinc/95/61/53/514956153.db2.gz VPUDFPLGURHWFJ-UHFFFAOYSA-N 1 2 351.454 2.848 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503223686 514968445 /nfs/dbraw/zinc/96/84/45/514968445.db2.gz ZFENEKZOHQKJBX-QZTJIDSGSA-N 1 2 357.498 2.727 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503223686 514968455 /nfs/dbraw/zinc/96/84/55/514968455.db2.gz ZFENEKZOHQKJBX-QZTJIDSGSA-N 1 2 357.498 2.727 20 30 FFEDLO Cc1ccn2cc(CNS(=O)(=O)c3ccc(C#N)cc3Cl)[nH+]c2c1 ZINC000503432983 515031346 /nfs/dbraw/zinc/03/13/46/515031346.db2.gz XLDODFQXQYHGPN-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)c(Cl)c1 ZINC000503453896 515039172 /nfs/dbraw/zinc/03/91/72/515039172.db2.gz JUIHWJFXTUMFME-UHFFFAOYSA-N 1 2 372.837 2.876 20 30 FFEDLO COc1ccc([C@H](NC(=O)N2CCC(F)(C#N)CC2)c2[nH+]ccn2C)cc1 ZINC000476791932 515196142 /nfs/dbraw/zinc/19/61/42/515196142.db2.gz OOFPNENJDZHTJP-INIZCTEOSA-N 1 2 371.416 2.555 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000485869447 515228487 /nfs/dbraw/zinc/22/84/87/515228487.db2.gz LZHAFHVLEANMLN-GFCCVEGCSA-N 1 2 351.397 2.545 20 30 FFEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000462818864 515256874 /nfs/dbraw/zinc/25/68/74/515256874.db2.gz KZBMIGBYZJJFQR-UHFFFAOYSA-N 1 2 364.428 2.610 20 30 FFEDLO Cc1cc(C)c(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c[nH+]1 ZINC000456838281 515453140 /nfs/dbraw/zinc/45/31/40/515453140.db2.gz LVUOGDBVEMUJNN-INIZCTEOSA-N 1 2 352.413 2.852 20 30 FFEDLO CC(C)c1nc(C2CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)no1 ZINC000505288472 515497214 /nfs/dbraw/zinc/49/72/14/515497214.db2.gz WQDONUNOTIHGFK-KUHUBIRLSA-N 1 2 361.490 2.815 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000459367289 515503154 /nfs/dbraw/zinc/50/31/54/515503154.db2.gz OIMHKSBQEGSLHP-CQSZACIVSA-N 1 2 352.398 2.772 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000459367289 515503162 /nfs/dbraw/zinc/50/31/62/515503162.db2.gz OIMHKSBQEGSLHP-CQSZACIVSA-N 1 2 352.398 2.772 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)C1=O ZINC000499950202 515530783 /nfs/dbraw/zinc/53/07/83/515530783.db2.gz FFVNSIFTMZKJKT-JXFKEZNVSA-N 1 2 365.477 2.736 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)C1=O ZINC000499950202 515530793 /nfs/dbraw/zinc/53/07/93/515530793.db2.gz FFVNSIFTMZKJKT-JXFKEZNVSA-N 1 2 365.477 2.736 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(CC)c2cccc3ccccc32)C1=O ZINC000500016039 515560070 /nfs/dbraw/zinc/56/00/70/515560070.db2.gz FJQUKITUPGCJOL-HXUWFJFHSA-N 1 2 365.477 2.911 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(CC)c2cccc3ccccc32)C1=O ZINC000500016039 515560079 /nfs/dbraw/zinc/56/00/79/515560079.db2.gz FJQUKITUPGCJOL-HXUWFJFHSA-N 1 2 365.477 2.911 20 30 FFEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCc2[nH]cc[nH+]2)cc1C ZINC000468928946 515586109 /nfs/dbraw/zinc/58/61/09/515586109.db2.gz JKXSPNQANHEBSZ-UHFFFAOYSA-N 1 2 362.437 2.776 20 30 FFEDLO C=CCOC[C@H]([NH2+][C@H]1CCc2cc(Br)ccc2C1)C(=O)OC ZINC000482437479 515674527 /nfs/dbraw/zinc/67/45/27/515674527.db2.gz KQELRDHCADDTCM-HOTGVXAUSA-N 1 2 368.271 2.640 20 30 FFEDLO C=CCOC[C@H]([NH2+]C[C@@H](C)c1cccc(Br)c1)C(=O)OC ZINC000482434815 515675226 /nfs/dbraw/zinc/67/52/26/515675226.db2.gz HCLRLWWFTPCXTL-DOMZBBRYSA-N 1 2 356.260 2.886 20 30 FFEDLO CCOC(=O)COc1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000459612927 515695457 /nfs/dbraw/zinc/69/54/57/515695457.db2.gz MXEMBHMSJGKXFI-UHFFFAOYSA-N 1 2 366.417 2.763 20 30 FFEDLO Cc1c(NCc2c[nH+]c3ccc(C#N)cn23)cccc1N1C(=O)CCNC1=O ZINC000500428679 515706157 /nfs/dbraw/zinc/70/61/57/515706157.db2.gz LYEWVGOKFAHIGK-UHFFFAOYSA-N 1 2 374.404 2.573 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000454755523 515719690 /nfs/dbraw/zinc/71/96/90/515719690.db2.gz OXHYGQXWKPFQFO-HRCADAONSA-N 1 2 374.510 2.923 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000454755523 515719695 /nfs/dbraw/zinc/71/96/95/515719695.db2.gz OXHYGQXWKPFQFO-HRCADAONSA-N 1 2 374.510 2.923 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000506051962 515762599 /nfs/dbraw/zinc/76/25/99/515762599.db2.gz PDOMAIFATRLLJQ-UHFFFAOYSA-N 1 2 371.485 2.577 20 30 FFEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000506267886 515834514 /nfs/dbraw/zinc/83/45/14/515834514.db2.gz GDRWLUGAVSIICA-UHFFFAOYSA-N 1 2 357.429 2.506 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cc(C)c(C#N)cn3)CC2)cc1 ZINC000457405919 515853191 /nfs/dbraw/zinc/85/31/91/515853191.db2.gz TUBIFWGTFOTRHA-UHFFFAOYSA-N 1 2 364.449 2.618 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000457449010 515877697 /nfs/dbraw/zinc/87/76/97/515877697.db2.gz XMPDFCUDGFVDKR-ICSRJNTNSA-N 1 2 353.466 2.961 20 30 FFEDLO Cc1cccc(C)c1NC(=O)C[NH+]1CCN(c2ccc(C#N)c(C)n2)CC1 ZINC000487902912 516025240 /nfs/dbraw/zinc/02/52/40/516025240.db2.gz AGIMPYPNWHTQCD-UHFFFAOYSA-N 1 2 363.465 2.639 20 30 FFEDLO C=CCOc1cccc(C[NH+]2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)c1 ZINC000507216220 516128635 /nfs/dbraw/zinc/12/86/35/516128635.db2.gz XTMARCXWKMMEHU-IBGZPJMESA-N 1 2 371.525 2.770 20 30 FFEDLO C=CCOc1cccc(CN2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)c1 ZINC000507216220 516128643 /nfs/dbraw/zinc/12/86/43/516128643.db2.gz XTMARCXWKMMEHU-IBGZPJMESA-N 1 2 371.525 2.770 20 30 FFEDLO COc1cc(Br)ccc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000488164054 516141499 /nfs/dbraw/zinc/14/14/99/516141499.db2.gz JUQVRCOZZWORBP-INIZCTEOSA-N 1 2 374.238 2.646 20 30 FFEDLO N#CC1(CS(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000460469627 516159322 /nfs/dbraw/zinc/15/93/22/516159322.db2.gz UCKUMVJOBSHPGP-UHFFFAOYSA-N 1 2 361.511 2.608 20 30 FFEDLO N#Cc1ccc(N2CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)c(Cl)c1 ZINC000470231251 516178270 /nfs/dbraw/zinc/17/82/70/516178270.db2.gz BEWZAKAIYOYGFG-UHFFFAOYSA-N 1 2 365.824 2.822 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)NCCc1ccccc1C)Cc1ccc(CO)o1 ZINC000512200255 516194023 /nfs/dbraw/zinc/19/40/23/516194023.db2.gz YXLJRVHKPDGSNF-UHFFFAOYSA-N 1 2 356.466 2.817 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)NCCc1ccccc1C)Cc1ccc(CO)o1 ZINC000512200255 516194032 /nfs/dbraw/zinc/19/40/32/516194032.db2.gz YXLJRVHKPDGSNF-UHFFFAOYSA-N 1 2 356.466 2.817 20 30 FFEDLO C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)Cc1ccc(C)[nH+]c1C ZINC000507452141 516214820 /nfs/dbraw/zinc/21/48/20/516214820.db2.gz TVAMDBYLXSZFJV-UHFFFAOYSA-N 1 2 369.450 2.512 20 30 FFEDLO CCO[C@H](C)c1noc(CN2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)n1 ZINC000488424761 516220920 /nfs/dbraw/zinc/22/09/20/516220920.db2.gz DQNDMOSWJMYHRI-MRXNPFEDSA-N 1 2 369.469 2.665 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000502030095 516288738 /nfs/dbraw/zinc/28/87/38/516288738.db2.gz ZKGHNJLVVRUFDL-IIBYNOLFSA-N 1 2 365.481 2.673 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000502030095 516288740 /nfs/dbraw/zinc/28/87/40/516288740.db2.gz ZKGHNJLVVRUFDL-IIBYNOLFSA-N 1 2 365.481 2.673 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000488746408 516299430 /nfs/dbraw/zinc/29/94/30/516299430.db2.gz CMTDVNHFECAXEC-KRWDZBQOSA-N 1 2 359.495 2.847 20 30 FFEDLO COc1nc2ccccc2cc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000539908294 516347290 /nfs/dbraw/zinc/34/72/90/516347290.db2.gz NSPLJTMRZNDUKI-HNNXBMFYSA-N 1 2 374.448 2.616 20 30 FFEDLO COc1nc2ccccc2cc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000539908294 516347299 /nfs/dbraw/zinc/34/72/99/516347299.db2.gz NSPLJTMRZNDUKI-HNNXBMFYSA-N 1 2 374.448 2.616 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512805505 516365812 /nfs/dbraw/zinc/36/58/12/516365812.db2.gz HPGALRFDHBIDML-WDEREUQCSA-N 1 2 369.437 2.997 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000512805505 516365821 /nfs/dbraw/zinc/36/58/21/516365821.db2.gz HPGALRFDHBIDML-WDEREUQCSA-N 1 2 369.437 2.997 20 30 FFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000561205818 516450567 /nfs/dbraw/zinc/45/05/67/516450567.db2.gz DJEMCUCSBWGTAR-UHFFFAOYSA-N 1 2 362.393 2.930 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3nc4cc(C)ccc4s3)CC2)c1C#N ZINC000528473101 516463652 /nfs/dbraw/zinc/46/36/52/516463652.db2.gz MFEMCINLTLNVOA-UHFFFAOYSA-N 1 2 366.494 2.841 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCN(C(C)=O)C3(CCCCC3)C2)c1C#N ZINC000535739957 516479986 /nfs/dbraw/zinc/47/99/86/516479986.db2.gz JGSFQQWSQYMYLC-UHFFFAOYSA-N 1 2 369.465 2.712 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCN(C(C)=O)C3(CCCCC3)C2)c1C#N ZINC000535739957 516479999 /nfs/dbraw/zinc/47/99/99/516479999.db2.gz JGSFQQWSQYMYLC-UHFFFAOYSA-N 1 2 369.465 2.712 20 30 FFEDLO CC1CC(C#N)(C(=O)N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)C1 ZINC000531563673 516528110 /nfs/dbraw/zinc/52/81/10/516528110.db2.gz JJJHZSFTIYXMBL-UHFFFAOYSA-N 1 2 371.872 2.572 20 30 FFEDLO C=CCCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000558024345 516555164 /nfs/dbraw/zinc/55/51/64/516555164.db2.gz XTYDBOORFWNGII-IRXDYDNUSA-N 1 2 363.889 2.626 20 30 FFEDLO C=CCCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000558024345 516555168 /nfs/dbraw/zinc/55/51/68/516555168.db2.gz XTYDBOORFWNGII-IRXDYDNUSA-N 1 2 363.889 2.626 20 30 FFEDLO N#CC1(NC(=O)C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)CCCCC1 ZINC000528761166 516676112 /nfs/dbraw/zinc/67/61/12/516676112.db2.gz FNTLZTHXULRBTP-UHFFFAOYSA-N 1 2 365.481 2.633 20 30 FFEDLO C=CCn1c(COc2ccccc2)nnc1SCC[N@H+]1CCOC[C@@H]1C ZINC000551450845 516713902 /nfs/dbraw/zinc/71/39/02/516713902.db2.gz SBIJHZZUHRCCMA-INIZCTEOSA-N 1 2 374.510 2.856 20 30 FFEDLO C=CCn1c(COc2ccccc2)nnc1SCC[N@@H+]1CCOC[C@@H]1C ZINC000551450845 516713908 /nfs/dbraw/zinc/71/39/08/516713908.db2.gz SBIJHZZUHRCCMA-INIZCTEOSA-N 1 2 374.510 2.856 20 30 FFEDLO N#Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CC(F)(F)F)CC3)C2=O)cc1 ZINC000551592423 516779046 /nfs/dbraw/zinc/77/90/46/516779046.db2.gz PHTWNWDBMAPYLJ-OAHLLOKOSA-N 1 2 365.355 2.855 20 30 FFEDLO CC1CC(C#N)(C(=O)N2CC[NH+](CCOc3ccccc3Cl)CC2)C1 ZINC000532065583 516782197 /nfs/dbraw/zinc/78/21/97/516782197.db2.gz YIVZLDSPARDGON-UHFFFAOYSA-N 1 2 361.873 2.803 20 30 FFEDLO COC(=O)c1c2c(sc1NC(=O)C[NH+]1CCC(C)(C#N)CC1)CCC2 ZINC000540952734 516795261 /nfs/dbraw/zinc/79/52/61/516795261.db2.gz FTYKNGUVTFROAQ-UHFFFAOYSA-N 1 2 361.467 2.588 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000524757010 516820169 /nfs/dbraw/zinc/82/01/69/516820169.db2.gz BNEDKILLZGHDCL-MRXNPFEDSA-N 1 2 374.448 2.882 20 30 FFEDLO N#Cc1cccc(NCC(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c1 ZINC000513995171 516824864 /nfs/dbraw/zinc/82/48/64/516824864.db2.gz UJJDZQYLCQDEFS-SFHVURJKSA-N 1 2 354.841 2.797 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3conc3Cc3ccccc3)CC2)nc1 ZINC000551939440 516972395 /nfs/dbraw/zinc/97/23/95/516972395.db2.gz VFJZLGYSVMOZGQ-UHFFFAOYSA-N 1 2 359.433 2.854 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](CC(=O)NCCCC3CCCCC3)CC2)n1 ZINC000544880541 516973430 /nfs/dbraw/zinc/97/34/30/516973430.db2.gz FTSMHBUEZVCRHP-UHFFFAOYSA-N 1 2 369.513 2.552 20 30 FFEDLO CCC[N@H+](Cc1ccc(C#N)cc1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000532475278 516994741 /nfs/dbraw/zinc/99/47/41/516994741.db2.gz ICEVKYVDRGLCHL-UHFFFAOYSA-N 1 2 368.462 2.792 20 30 FFEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000532475278 516994747 /nfs/dbraw/zinc/99/47/47/516994747.db2.gz ICEVKYVDRGLCHL-UHFFFAOYSA-N 1 2 368.462 2.792 20 30 FFEDLO CCc1[nH+]c2cc(CNC(=O)Cc3noc(C)c3C#N)ccc2n1C1CC1 ZINC000558929468 517006588 /nfs/dbraw/zinc/00/65/88/517006588.db2.gz XZAZHRLSMAMFRE-UHFFFAOYSA-N 1 2 363.421 2.961 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000514767131 517045814 /nfs/dbraw/zinc/04/58/14/517045814.db2.gz XNUAQXLAFJWJOJ-SJORKVTESA-N 1 2 366.527 2.777 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000514767131 517045825 /nfs/dbraw/zinc/04/58/25/517045825.db2.gz XNUAQXLAFJWJOJ-SJORKVTESA-N 1 2 366.527 2.777 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2cccc(C(=O)OC)c2C#N)[C@@H](CC)CN1C(C)=O ZINC000555684285 517064087 /nfs/dbraw/zinc/06/40/87/517064087.db2.gz XLLFBDHKDYPRLM-DLBZAZTESA-N 1 2 357.454 2.566 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2cccc(C(=O)OC)c2C#N)[C@@H](CC)CN1C(C)=O ZINC000555684285 517064097 /nfs/dbraw/zinc/06/40/97/517064097.db2.gz XLLFBDHKDYPRLM-DLBZAZTESA-N 1 2 357.454 2.566 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2cccc(C(=O)OC)c2C#N)[C@H](CC)CN1C(C)=O ZINC000555684286 517064372 /nfs/dbraw/zinc/06/43/72/517064372.db2.gz XLLFBDHKDYPRLM-IAGOWNOFSA-N 1 2 357.454 2.566 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2cccc(C(=O)OC)c2C#N)[C@H](CC)CN1C(C)=O ZINC000555684286 517064379 /nfs/dbraw/zinc/06/43/79/517064379.db2.gz XLLFBDHKDYPRLM-IAGOWNOFSA-N 1 2 357.454 2.566 20 30 FFEDLO CCN1CCN(C(=O)Nc2ccc(C#N)cc2Cl)C[C@H]1c1[nH]cc[nH+]1 ZINC000548670677 517129929 /nfs/dbraw/zinc/12/99/29/517129929.db2.gz PASHJYPFIQCTKO-HNNXBMFYSA-N 1 2 358.833 2.845 20 30 FFEDLO N#CCC1CCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000541915992 517291068 /nfs/dbraw/zinc/29/10/68/517291068.db2.gz IUEJOJLLFKOOTM-UHFFFAOYSA-N 1 2 351.454 2.809 20 30 FFEDLO CC1CC(C#N)(C(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)C1 ZINC000526017817 517295820 /nfs/dbraw/zinc/29/58/20/517295820.db2.gz YHPMFHRRMBDEKG-UHFFFAOYSA-N 1 2 352.360 2.689 20 30 FFEDLO COc1ccc2c(c1)CCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C2 ZINC000533147881 517317432 /nfs/dbraw/zinc/31/74/32/517317432.db2.gz CIMGYASZZXDJFD-UHFFFAOYSA-N 1 2 370.474 2.789 20 30 FFEDLO COc1ccc2c(c1)CCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C2 ZINC000533147881 517317438 /nfs/dbraw/zinc/31/74/38/517317438.db2.gz CIMGYASZZXDJFD-UHFFFAOYSA-N 1 2 370.474 2.789 20 30 FFEDLO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1nc2c(s1)CCC2 ZINC000515372996 517324350 /nfs/dbraw/zinc/32/43/50/517324350.db2.gz MHJVSZGHHBUSOD-LBPRGKRZSA-N 1 2 361.492 2.628 20 30 FFEDLO Cc1[nH+]c2cc(NC(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)ccc2n1C ZINC000526598603 517373351 /nfs/dbraw/zinc/37/33/51/517373351.db2.gz NSLPDGZMIZMXFD-UHFFFAOYSA-N 1 2 367.796 2.984 20 30 FFEDLO N#CCC[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)CC1CC1 ZINC000533308497 517397434 /nfs/dbraw/zinc/39/74/34/517397434.db2.gz FHVDJCXYWCAREJ-UHFFFAOYSA-N 1 2 361.243 2.583 20 30 FFEDLO N#CCC[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)CC1CC1 ZINC000533308497 517397442 /nfs/dbraw/zinc/39/74/42/517397442.db2.gz FHVDJCXYWCAREJ-UHFFFAOYSA-N 1 2 361.243 2.583 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(SC2CC2)cc1 ZINC000542145414 517406225 /nfs/dbraw/zinc/40/62/25/517406225.db2.gz KPGGEOVWEYGNAT-UHFFFAOYSA-N 1 2 359.495 2.629 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000516119102 517573327 /nfs/dbraw/zinc/57/33/27/517573327.db2.gz KLOQJBMMJMKXJT-QGZVFWFLSA-N 1 2 374.510 2.759 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000516119102 517573338 /nfs/dbraw/zinc/57/33/38/517573338.db2.gz KLOQJBMMJMKXJT-QGZVFWFLSA-N 1 2 374.510 2.759 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(OCc2cccc(C#N)c2)c1 ZINC000563005042 517576772 /nfs/dbraw/zinc/57/67/72/517576772.db2.gz GJOLKJTZQVJIBY-HXUWFJFHSA-N 1 2 364.449 2.756 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(OCc2cccc(C#N)c2)c1 ZINC000563005042 517576782 /nfs/dbraw/zinc/57/67/82/517576782.db2.gz GJOLKJTZQVJIBY-HXUWFJFHSA-N 1 2 364.449 2.756 20 30 FFEDLO COc1cc(C#N)ccc1OCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000516143024 517584192 /nfs/dbraw/zinc/58/41/92/517584192.db2.gz SNEFLHHGAZFTPP-UHFFFAOYSA-N 1 2 366.352 2.909 20 30 FFEDLO N#Cc1cccc(N2CCN(Cc3c[nH+]c4ccc(Cl)cn34)CC2)n1 ZINC000546259868 517617872 /nfs/dbraw/zinc/61/78/72/517617872.db2.gz PYUNQLZARSKOIY-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO CC(C)N(CCC#N)C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000527353687 517654277 /nfs/dbraw/zinc/65/42/77/517654277.db2.gz MRMDQOYGEDXARJ-UHFFFAOYSA-N 1 2 352.394 2.963 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CN(c2nc3c(cc2C#N)CCCC3(C)C)CCN1C ZINC000530427452 517769787 /nfs/dbraw/zinc/76/97/87/517769787.db2.gz KYEBSIINCFWPGD-KRWDZBQOSA-N 1 2 364.497 2.794 20 30 FFEDLO CC1(C)C[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C(C)(C)O1 ZINC000527687363 517846685 /nfs/dbraw/zinc/84/66/85/517846685.db2.gz JPPRDIDCKVOPSL-SFHVURJKSA-N 1 2 355.482 2.796 20 30 FFEDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)[C@H](C)Oc2ccc(C#N)cc2)c1 ZINC000521950521 517915078 /nfs/dbraw/zinc/91/50/78/517915078.db2.gz BDESKGUORICQGK-HNNXBMFYSA-N 1 2 361.405 2.986 20 30 FFEDLO CC[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1Br ZINC000553864145 517941099 /nfs/dbraw/zinc/94/10/99/517941099.db2.gz PCXJNLCKHFHDAH-UHFFFAOYSA-N 1 2 350.260 2.833 20 30 FFEDLO CC[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1Br ZINC000553864145 517941109 /nfs/dbraw/zinc/94/11/09/517941109.db2.gz PCXJNLCKHFHDAH-UHFFFAOYSA-N 1 2 350.260 2.833 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000516958134 517942385 /nfs/dbraw/zinc/94/23/85/517942385.db2.gz DOTXGZZOJQQGDL-DOMZBBRYSA-N 1 2 355.360 2.774 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000516958134 517942393 /nfs/dbraw/zinc/94/23/93/517942393.db2.gz DOTXGZZOJQQGDL-DOMZBBRYSA-N 1 2 355.360 2.774 20 30 FFEDLO C=CC[C@@H](CO)CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000539257959 517969707 /nfs/dbraw/zinc/96/97/07/517969707.db2.gz SDWJWLTVOLCSOL-OAHLLOKOSA-N 1 2 352.438 2.908 20 30 FFEDLO Cc1cc(C(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(C)n1C ZINC000530778204 517973950 /nfs/dbraw/zinc/97/39/50/517973950.db2.gz MXHAISRAFPVQLN-UHFFFAOYSA-N 1 2 350.466 2.909 20 30 FFEDLO Cc1cc(C(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)c(C)n1C ZINC000530778204 517973958 /nfs/dbraw/zinc/97/39/58/517973958.db2.gz MXHAISRAFPVQLN-UHFFFAOYSA-N 1 2 350.466 2.909 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+]([C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000560700809 517977037 /nfs/dbraw/zinc/97/70/37/517977037.db2.gz OUVBWULWMDQYTJ-FQEVSTJZSA-N 1 2 364.424 2.625 20 30 FFEDLO C=CC[C@H](CO)CNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000539309037 517986797 /nfs/dbraw/zinc/98/67/97/517986797.db2.gz USLQFEJSCXAPHD-ULQDDVLXSA-N 1 2 361.486 2.602 20 30 FFEDLO Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2Cl)n(-c2cc[nH+]cc2)n1 ZINC000547271185 518048459 /nfs/dbraw/zinc/04/84/59/518048459.db2.gz IITLRHGPINOADN-UHFFFAOYSA-N 1 2 373.825 2.902 20 30 FFEDLO COCC[N@H+](CC(=O)N([C@H](C)C1CC1)C1CC1)Cc1ccc(C#N)cc1 ZINC000550444948 518062022 /nfs/dbraw/zinc/06/20/22/518062022.db2.gz VPRHZXASPMAZJF-MRXNPFEDSA-N 1 2 355.482 2.796 20 30 FFEDLO COCC[N@@H+](CC(=O)N([C@H](C)C1CC1)C1CC1)Cc1ccc(C#N)cc1 ZINC000550444948 518062032 /nfs/dbraw/zinc/06/20/32/518062032.db2.gz VPRHZXASPMAZJF-MRXNPFEDSA-N 1 2 355.482 2.796 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc1 ZINC000528090085 518083665 /nfs/dbraw/zinc/08/36/65/518083665.db2.gz XXJNWIZNRQMBFP-HSALFYBXSA-N 1 2 352.482 2.822 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)c(F)c1 ZINC000578460543 518221014 /nfs/dbraw/zinc/22/10/14/518221014.db2.gz QZGFNPJBSXEJGA-HNNXBMFYSA-N 1 2 368.412 2.526 20 30 FFEDLO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000578466533 518223085 /nfs/dbraw/zinc/22/30/85/518223085.db2.gz HNCZDGZQKZHPJI-KBXCAEBGSA-N 1 2 373.453 2.949 20 30 FFEDLO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000578466533 518223091 /nfs/dbraw/zinc/22/30/91/518223091.db2.gz HNCZDGZQKZHPJI-KBXCAEBGSA-N 1 2 373.453 2.949 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCSc1ccccc1Br ZINC000566890670 518248707 /nfs/dbraw/zinc/24/87/07/518248707.db2.gz PAYGBNQBJUBWFB-HNNXBMFYSA-N 1 2 370.316 2.891 20 30 FFEDLO N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000575753087 518265109 /nfs/dbraw/zinc/26/51/09/518265109.db2.gz UZIPMUYLOGSGRS-LRYGQEGESA-N 1 2 364.449 2.824 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000572595584 518266782 /nfs/dbraw/zinc/26/67/82/518266782.db2.gz OJEJBKWLEFNAKL-SIBVEZHUSA-N 1 2 371.506 2.613 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000572595584 518266788 /nfs/dbraw/zinc/26/67/88/518266788.db2.gz OJEJBKWLEFNAKL-SIBVEZHUSA-N 1 2 371.506 2.613 20 30 FFEDLO CS(=O)(=O)c1cccnc1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000572685609 518310281 /nfs/dbraw/zinc/31/02/81/518310281.db2.gz BUPWZANIWZTYJH-UHFFFAOYSA-N 1 2 369.368 2.665 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000578922119 518437573 /nfs/dbraw/zinc/43/75/73/518437573.db2.gz NPVRDAJGRUILGV-CTNGQTDRSA-N 1 2 361.445 2.909 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000578922119 518437577 /nfs/dbraw/zinc/43/75/77/518437577.db2.gz NPVRDAJGRUILGV-CTNGQTDRSA-N 1 2 361.445 2.909 20 30 FFEDLO CCC[C@@H]([NH2+]Cc1nc(C#N)cs1)C(=O)N1CCc2sccc2C1 ZINC000578925402 518438770 /nfs/dbraw/zinc/43/87/70/518438770.db2.gz XGFYNJRLSMMEAP-CQSZACIVSA-N 1 2 360.508 2.919 20 30 FFEDLO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cc(C#N)c(SC)[nH]c1=O)c1ccco1 ZINC000581843828 518464710 /nfs/dbraw/zinc/46/47/10/518464710.db2.gz IUPPRAQFWFWYLG-SMDDNHRTSA-N 1 2 374.466 2.833 20 30 FFEDLO Cn1c2ccc(NS(=O)(=O)c3cncc(C#N)c3)cc2[nH+]c1C1CC1 ZINC000564562805 518504070 /nfs/dbraw/zinc/50/40/70/518504070.db2.gz NPHGXTKQKRMUFM-UHFFFAOYSA-N 1 2 353.407 2.518 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000567444467 518524755 /nfs/dbraw/zinc/52/47/55/518524755.db2.gz NYBQJJSIBDKZPU-UHFFFAOYSA-N 1 2 350.451 2.727 20 30 FFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(F)cc2Br)C(N)=O)cc1 ZINC000573159102 518531672 /nfs/dbraw/zinc/53/16/72/518531672.db2.gz PDQAJGHCBRPYER-OAHLLOKOSA-N 1 2 362.202 2.776 20 30 FFEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000582011386 518546044 /nfs/dbraw/zinc/54/60/44/518546044.db2.gz AGFBXINEVHKOFD-JQWIXIFHSA-N 1 2 371.222 2.900 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000570455398 518615260 /nfs/dbraw/zinc/61/52/60/518615260.db2.gz OWFRWUVMTSKELP-NRFANRHFSA-N 1 2 362.433 2.711 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000579450652 518686826 /nfs/dbraw/zinc/68/68/26/518686826.db2.gz BRBGLDIUHXMRTP-QGZVFWFLSA-N 1 2 361.511 2.606 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000579450652 518686833 /nfs/dbraw/zinc/68/68/33/518686833.db2.gz BRBGLDIUHXMRTP-QGZVFWFLSA-N 1 2 361.511 2.606 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000573603777 518747690 /nfs/dbraw/zinc/74/76/90/518747690.db2.gz QFMJMWJZHPPWES-PXAZEXFGSA-N 1 2 365.886 2.747 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000573603777 518747698 /nfs/dbraw/zinc/74/76/98/518747698.db2.gz QFMJMWJZHPPWES-PXAZEXFGSA-N 1 2 365.886 2.747 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cscc1C#N ZINC000576838764 518791085 /nfs/dbraw/zinc/79/10/85/518791085.db2.gz LTHLYIHUPVKRFG-INIZCTEOSA-N 1 2 369.490 2.983 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000567995096 518821640 /nfs/dbraw/zinc/82/16/40/518821640.db2.gz AOPATZQVTUUEMZ-MRXNPFEDSA-N 1 2 366.252 2.753 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000568004160 518825993 /nfs/dbraw/zinc/82/59/93/518825993.db2.gz GYXNMVXDLSPUBK-GOSISDBHSA-N 1 2 353.378 2.855 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000568004160 518825999 /nfs/dbraw/zinc/82/59/99/518825999.db2.gz GYXNMVXDLSPUBK-GOSISDBHSA-N 1 2 353.378 2.855 20 30 FFEDLO C=CC[C@H]1N(C(=O)C(=O)NCCCNc2cccc[nH+]2)CCCC1(C)C ZINC000573824261 518853072 /nfs/dbraw/zinc/85/30/72/518853072.db2.gz PDKZFJIHRZAYOS-MRXNPFEDSA-N 1 2 358.486 2.593 20 30 FFEDLO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000582704167 518880608 /nfs/dbraw/zinc/88/06/08/518880608.db2.gz SQURLFYYHLDLHD-MRXNPFEDSA-N 1 2 373.888 2.506 20 30 FFEDLO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000582704167 518880614 /nfs/dbraw/zinc/88/06/14/518880614.db2.gz SQURLFYYHLDLHD-MRXNPFEDSA-N 1 2 373.888 2.506 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cnnn3-c3ccccc3)CC2)c(F)c1 ZINC000588958606 518881334 /nfs/dbraw/zinc/88/13/34/518881334.db2.gz GBXWIAJFUJHFFB-UHFFFAOYSA-N 1 2 362.412 2.600 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(O)cc(C#N)c3)CC2)s1 ZINC000589183819 518944646 /nfs/dbraw/zinc/94/46/46/518944646.db2.gz SDTANXUUGMQGFJ-UHFFFAOYSA-N 1 2 355.463 2.846 20 30 FFEDLO CN(CC(C)(C)C#N)C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000580056305 518984632 /nfs/dbraw/zinc/98/46/32/518984632.db2.gz NCFIUBWGIVDTEY-UHFFFAOYSA-N 1 2 352.394 2.821 20 30 FFEDLO Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@@H+]1CCOCCC#N ZINC000571266602 519008990 /nfs/dbraw/zinc/00/89/90/519008990.db2.gz SMMCIHBIPYSPDX-HXUWFJFHSA-N 1 2 368.481 2.852 20 30 FFEDLO Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@H+]1CCOCCC#N ZINC000571266602 519008995 /nfs/dbraw/zinc/00/89/95/519008995.db2.gz SMMCIHBIPYSPDX-HXUWFJFHSA-N 1 2 368.481 2.852 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000589792320 519082321 /nfs/dbraw/zinc/08/23/21/519082321.db2.gz FCIHDJVMCAROTL-UHFFFAOYSA-N 1 2 364.405 2.544 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000571428642 519092188 /nfs/dbraw/zinc/09/21/88/519092188.db2.gz ZPZUOLVIIUCJNG-APWZRJJASA-N 1 2 364.486 2.566 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000571428642 519092194 /nfs/dbraw/zinc/09/21/94/519092194.db2.gz ZPZUOLVIIUCJNG-APWZRJJASA-N 1 2 364.486 2.566 20 30 FFEDLO N#Cc1ccncc1N1CCN(Cc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000590013984 519130158 /nfs/dbraw/zinc/13/01/58/519130158.db2.gz QRPUFAHHKOCSQH-UHFFFAOYSA-N 1 2 358.449 2.520 20 30 FFEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000583260318 519159276 /nfs/dbraw/zinc/15/92/76/519159276.db2.gz OLIWISADIMQPRJ-OCCSQVGLSA-N 1 2 363.483 2.858 20 30 FFEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000583260318 519159281 /nfs/dbraw/zinc/15/92/81/519159281.db2.gz OLIWISADIMQPRJ-OCCSQVGLSA-N 1 2 363.483 2.858 20 30 FFEDLO COc1ccc([C@H](NC(=O)c2ncc(C#N)cc2C)c2[nH+]ccn2C)cc1 ZINC000590138777 519159888 /nfs/dbraw/zinc/15/98/88/519159888.db2.gz OFMUHORAXZXQEE-SFHVURJKSA-N 1 2 361.405 2.523 20 30 FFEDLO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1c(F)cccc1F ZINC000580439906 519176911 /nfs/dbraw/zinc/17/69/11/519176911.db2.gz WVEKMHZRICFLQF-UHFFFAOYSA-N 1 2 359.376 2.924 20 30 FFEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1c(F)cccc1F ZINC000580439906 519176918 /nfs/dbraw/zinc/17/69/18/519176918.db2.gz WVEKMHZRICFLQF-UHFFFAOYSA-N 1 2 359.376 2.924 20 30 FFEDLO Cc1cccn2cc(CCNC(=O)c3cnc(C(F)(F)F)c(C#N)c3)[nH+]c12 ZINC000590289682 519189223 /nfs/dbraw/zinc/18/92/23/519189223.db2.gz QEQYEWUCYUCHSZ-UHFFFAOYSA-N 1 2 373.338 2.901 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC3(C(F)(F)F)CCC3)CC2)cc1 ZINC000590604796 519286605 /nfs/dbraw/zinc/28/66/05/519286605.db2.gz OJINVDOXSVNESZ-UHFFFAOYSA-N 1 2 366.387 2.870 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1C#N ZINC000590762773 519356387 /nfs/dbraw/zinc/35/63/87/519356387.db2.gz UZKZZIHITXRZSJ-DYVFJYSZSA-N 1 2 364.371 2.798 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1C#N ZINC000590762773 519356391 /nfs/dbraw/zinc/35/63/91/519356391.db2.gz UZKZZIHITXRZSJ-DYVFJYSZSA-N 1 2 364.371 2.798 20 30 FFEDLO N#Cc1cncc(S(=O)(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)c1 ZINC000572086720 519434563 /nfs/dbraw/zinc/43/45/63/519434563.db2.gz QMIWWWKFOCHACZ-UHFFFAOYSA-N 1 2 353.407 2.898 20 30 FFEDLO COc1cc(Br)c(Cl)cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000583815338 519449662 /nfs/dbraw/zinc/44/96/62/519449662.db2.gz HMCYVGXSVIHUEU-CQSZACIVSA-N 1 2 374.666 2.685 20 30 FFEDLO N#Cc1ccc(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cc1F ZINC000581104678 519524069 /nfs/dbraw/zinc/52/40/69/519524069.db2.gz UJLDEOALGRELEX-UHFFFAOYSA-N 1 2 356.382 2.743 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](c3ccccc3)C2)nc1 ZINC000581288156 519614687 /nfs/dbraw/zinc/61/46/87/519614687.db2.gz VXHBTJNBXQGYQZ-SFHVURJKSA-N 1 2 355.463 2.607 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](c3ccccc3)C2)nc1 ZINC000581288156 519614696 /nfs/dbraw/zinc/61/46/96/519614696.db2.gz VXHBTJNBXQGYQZ-SFHVURJKSA-N 1 2 355.463 2.607 20 30 FFEDLO C[C@@H]1C[NH+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@@H](C)N1CC#N ZINC000602856110 519928189 /nfs/dbraw/zinc/92/81/89/519928189.db2.gz YMGZFFHTMBAUGW-XNJGSVPQSA-N 1 2 364.852 2.503 20 30 FFEDLO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856931 519929240 /nfs/dbraw/zinc/92/92/40/519929240.db2.gz MXCDSRMVJLGGMB-CEXWTWQISA-N 1 2 368.525 2.732 20 30 FFEDLO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856931 519929252 /nfs/dbraw/zinc/92/92/52/519929252.db2.gz MXCDSRMVJLGGMB-CEXWTWQISA-N 1 2 368.525 2.732 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c(OC)c1 ZINC000602978479 520003525 /nfs/dbraw/zinc/00/35/25/520003525.db2.gz RBGDKEYTJDBTHB-LZQZEXGQSA-N 1 2 371.481 2.991 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c(OC)c1 ZINC000602978479 520003532 /nfs/dbraw/zinc/00/35/32/520003532.db2.gz RBGDKEYTJDBTHB-LZQZEXGQSA-N 1 2 371.481 2.991 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c(OC(F)F)c1 ZINC000602987360 520006928 /nfs/dbraw/zinc/00/69/28/520006928.db2.gz DCVDUJXHQBQGNB-NWDGAFQWSA-N 1 2 350.287 2.762 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c(OC(F)F)c1 ZINC000602987360 520006933 /nfs/dbraw/zinc/00/69/33/520006933.db2.gz DCVDUJXHQBQGNB-NWDGAFQWSA-N 1 2 350.287 2.762 20 30 FFEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000591821712 520052763 /nfs/dbraw/zinc/05/27/63/520052763.db2.gz YDDXSWRRKTYMDF-OALUTQOASA-N 1 2 365.481 2.624 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)N3CCC(CCC#N)CC3)c[nH+]2)CCO1 ZINC000591905818 520079932 /nfs/dbraw/zinc/07/99/32/520079932.db2.gz HXJNRTBXKKOKGC-INIZCTEOSA-N 1 2 371.485 2.532 20 30 FFEDLO CN(C)c1c(F)c(F)ccc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000600160155 520091197 /nfs/dbraw/zinc/09/11/97/520091197.db2.gz AUZQUDOAAANAOV-UHFFFAOYSA-N 1 2 357.408 2.620 20 30 FFEDLO CC(C)(C)O[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000592046713 520151951 /nfs/dbraw/zinc/15/19/51/520151951.db2.gz SLDXUPKWNNHHSK-KDURUIRLSA-N 1 2 370.497 2.732 20 30 FFEDLO N#CC1(CNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CCCCC1 ZINC000594883819 520205534 /nfs/dbraw/zinc/20/55/34/520205534.db2.gz JGYDWTIRPFMWEI-UHFFFAOYSA-N 1 2 358.467 2.684 20 30 FFEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CC[C@H]2CCc3ccccc32)c1=O ZINC000594897725 520209405 /nfs/dbraw/zinc/20/94/05/520209405.db2.gz XZIVTBWHDKXKJJ-LJQANCHMSA-N 1 2 363.461 2.672 20 30 FFEDLO N#Cc1cccc(OC2CCN(C(=O)NCCCCn3cc[nH+]c3)CC2)c1 ZINC000609150561 520209887 /nfs/dbraw/zinc/20/98/87/520209887.db2.gz XDBQIWMZWVVKRS-UHFFFAOYSA-N 1 2 367.453 2.788 20 30 FFEDLO N#CCn1c(C(=O)NCc2[nH+]ccn2CC(F)(F)F)cc2ccccc21 ZINC000609173271 520218216 /nfs/dbraw/zinc/21/82/16/520218216.db2.gz RWEIMXQKAXYQAW-UHFFFAOYSA-N 1 2 361.327 2.854 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CC(N)=O)C1CCCC1 ZINC000609385025 520299555 /nfs/dbraw/zinc/29/95/55/520299555.db2.gz HLTJQNBPUOQDFH-CQSZACIVSA-N 1 2 374.510 2.749 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CC(N)=O)C1CCCC1 ZINC000609385025 520299559 /nfs/dbraw/zinc/29/95/59/520299559.db2.gz HLTJQNBPUOQDFH-CQSZACIVSA-N 1 2 374.510 2.749 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N[C@H](c2ccccc2)C(C)C)CC1 ZINC000609484323 520326555 /nfs/dbraw/zinc/32/65/55/520326555.db2.gz AKMQBIXJSAMMRI-CTNGQTDRSA-N 1 2 356.514 2.666 20 30 FFEDLO Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000603784312 520358920 /nfs/dbraw/zinc/35/89/20/520358920.db2.gz XJFJYTSBPWCFAY-UHFFFAOYSA-N 1 2 366.440 2.762 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3cc(F)ccc3F)CC2)cc1 ZINC000603784221 520359341 /nfs/dbraw/zinc/35/93/41/520359341.db2.gz NSFOAKRGROJGAS-UHFFFAOYSA-N 1 2 370.403 2.593 20 30 FFEDLO C[C@H]1CCC[C@@H](OCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000609576736 520363486 /nfs/dbraw/zinc/36/34/86/520363486.db2.gz KLAAJLXOTZMLFV-FXAWDEMLSA-N 1 2 355.482 2.798 20 30 FFEDLO C[C@H]1C[N@H+](CCNC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@@H](C)CO1 ZINC000597999165 520367727 /nfs/dbraw/zinc/36/77/27/520367727.db2.gz QUGLIEZRMGLFBA-QWRGUYRKSA-N 1 2 356.253 2.704 20 30 FFEDLO C[C@H]1C[N@@H+](CCNC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@@H](C)CO1 ZINC000597999165 520367735 /nfs/dbraw/zinc/36/77/35/520367735.db2.gz QUGLIEZRMGLFBA-QWRGUYRKSA-N 1 2 356.253 2.704 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nnc(C(F)(F)F)s3)CC2)cc1 ZINC000595287661 520387947 /nfs/dbraw/zinc/38/79/47/520387947.db2.gz UIYWHUGFHKCOGN-UHFFFAOYSA-N 1 2 367.400 2.746 20 30 FFEDLO COc1cccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1Cl ZINC000595340062 520417984 /nfs/dbraw/zinc/41/79/84/520417984.db2.gz UWCYBEDISVJVJP-ZDUSSCGKSA-N 1 2 357.845 2.721 20 30 FFEDLO COc1cccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1Cl ZINC000595340062 520417993 /nfs/dbraw/zinc/41/79/93/520417993.db2.gz UWCYBEDISVJVJP-ZDUSSCGKSA-N 1 2 357.845 2.721 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)Cc2[nH]cc[nH+]2)c1C#N ZINC000595399524 520447895 /nfs/dbraw/zinc/44/78/95/520447895.db2.gz MNLHBADDMKGNBA-UHFFFAOYSA-N 1 2 354.458 2.885 20 30 FFEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000604149492 520461048 /nfs/dbraw/zinc/46/10/48/520461048.db2.gz AKEDRIYYRBMUCF-HXUWFJFHSA-N 1 2 367.449 2.899 20 30 FFEDLO C[C@@H]1C[NH+](CCN2CCC(Oc3ccc(C#N)cc3F)CC2)C[C@@H](C)O1 ZINC000595483195 520499702 /nfs/dbraw/zinc/49/97/02/520499702.db2.gz JVZKBBHOARMJOK-HZPDHXFCSA-N 1 2 361.461 2.650 20 30 FFEDLO CCOC(=O)C1CC[NH+](Cc2cn(CC3(C#N)CCCCC3)nn2)CC1 ZINC000600969966 520564353 /nfs/dbraw/zinc/56/43/53/520564353.db2.gz PHZXJJCCUSKPOS-UHFFFAOYSA-N 1 2 359.474 2.527 20 30 FFEDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cn(-c3ccc(C#N)cc3)nn2)CC1 ZINC000600970911 520566452 /nfs/dbraw/zinc/56/64/52/520566452.db2.gz OTBAQGIAHFBBJR-UHFFFAOYSA-N 1 2 367.453 2.693 20 30 FFEDLO Cc1cc(N2CCN(C(=O)C3(C#N)CC4(CC4)C3)CC2)nc(C(C)C)[nH+]1 ZINC000600977000 520568545 /nfs/dbraw/zinc/56/85/45/520568545.db2.gz YTNZZTBJWMCUIH-UHFFFAOYSA-N 1 2 353.470 2.641 20 30 FFEDLO N#Cc1sccc1N1CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000595629163 520605575 /nfs/dbraw/zinc/60/55/75/520605575.db2.gz DOMLMTKHMJNIEM-KRWDZBQOSA-N 1 2 352.463 2.695 20 30 FFEDLO C[C@H]1Cc2ccccc2N1C(=O)C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633069 520609833 /nfs/dbraw/zinc/60/98/33/520609833.db2.gz KVZGXDCUJKGCMT-HNNXBMFYSA-N 1 2 366.490 2.720 20 30 FFEDLO Cc1cc(C)c(CNC(=O)N2CCN(c3ccsc3C#N)CC2)c[nH+]1 ZINC000595647450 520621081 /nfs/dbraw/zinc/62/10/81/520621081.db2.gz QILJKMCSYSDTQH-UHFFFAOYSA-N 1 2 355.467 2.663 20 30 FFEDLO Cn1cc[nH+]c1C[C@H](NC(=O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000610304426 520629975 /nfs/dbraw/zinc/62/99/75/520629975.db2.gz DQVBSSVGYXTXJS-IBGZPJMESA-N 1 2 360.417 2.771 20 30 FFEDLO COC(=O)[C@H](c1cccc(OC)c1)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000595677770 520642213 /nfs/dbraw/zinc/64/22/13/520642213.db2.gz JPYDFCPZIGHHJX-IBGZPJMESA-N 1 2 354.406 2.792 20 30 FFEDLO COC(=O)[C@H](c1cccc(OC)c1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000595677770 520642222 /nfs/dbraw/zinc/64/22/22/520642222.db2.gz JPYDFCPZIGHHJX-IBGZPJMESA-N 1 2 354.406 2.792 20 30 FFEDLO CC[C@@]1(O)CCCN(c2[nH+]c(C)cc(N3CCC[C@@](O)(CC)C3)c2C#N)C1 ZINC000601233676 520700091 /nfs/dbraw/zinc/70/00/91/520700091.db2.gz MSIPCFUKNKUSCG-LEWJYISDSA-N 1 2 372.513 2.744 20 30 FFEDLO COC(=O)c1csc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)n1 ZINC000595769883 520711149 /nfs/dbraw/zinc/71/11/49/520711149.db2.gz VHGURATWAIDGTE-UHFFFAOYSA-N 1 2 357.435 2.597 20 30 FFEDLO Cc1cccn2cc(CCNS(=O)(=O)CC3(C#N)CCCCC3)[nH+]c12 ZINC000613931334 520731508 /nfs/dbraw/zinc/73/15/08/520731508.db2.gz WVMAPUGUWUEARR-UHFFFAOYSA-N 1 2 360.483 2.579 20 30 FFEDLO CC[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1nnc2n1CCCCC2 ZINC000595807405 520739146 /nfs/dbraw/zinc/73/91/46/520739146.db2.gz YWTALJOSGFOMPW-JKSUJKDBSA-N 1 2 372.517 2.776 20 30 FFEDLO COc1ccc(NC(=O)CC[N@@H+]2Cc3cccc(C#N)c3C2)c([N+](=O)[O-])c1 ZINC000593120740 520760057 /nfs/dbraw/zinc/76/00/57/520760057.db2.gz QUHLMMGNVBAOIH-UHFFFAOYSA-N 1 2 366.377 2.819 20 30 FFEDLO COc1ccc(NC(=O)CC[N@H+]2Cc3cccc(C#N)c3C2)c([N+](=O)[O-])c1 ZINC000593120740 520760066 /nfs/dbraw/zinc/76/00/66/520760066.db2.gz QUHLMMGNVBAOIH-UHFFFAOYSA-N 1 2 366.377 2.819 20 30 FFEDLO COc1nc(C)cc(C)c1C[N@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000598647339 520760264 /nfs/dbraw/zinc/76/02/64/520760264.db2.gz BMJLOQRXAUJSKW-INIZCTEOSA-N 1 2 370.478 2.878 20 30 FFEDLO COc1nc(C)cc(C)c1C[N@@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000598647339 520760268 /nfs/dbraw/zinc/76/02/68/520760268.db2.gz BMJLOQRXAUJSKW-INIZCTEOSA-N 1 2 370.478 2.878 20 30 FFEDLO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1F)C(=O)N(CCC#N)c1ccccc1 ZINC000595868706 520779696 /nfs/dbraw/zinc/77/96/96/520779696.db2.gz YOPNAZKXAOIDON-KUHUBIRLSA-N 1 2 373.403 2.923 20 30 FFEDLO COc1ccc(-c2nc(C)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)s2)cc1 ZINC000593155709 520784509 /nfs/dbraw/zinc/78/45/09/520784509.db2.gz UYYWENYRLZJMDN-SFHVURJKSA-N 1 2 358.467 2.701 20 30 FFEDLO CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c21 ZINC000593155343 520785158 /nfs/dbraw/zinc/78/51/58/520785158.db2.gz PJUJRKPHZSLIQO-IBGZPJMESA-N 1 2 355.442 2.797 20 30 FFEDLO CC(C)(C#N)c1ccc(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000614159472 520831324 /nfs/dbraw/zinc/83/13/24/520831324.db2.gz BHDRIXJYJWJIIK-UHFFFAOYSA-N 1 2 368.525 2.618 20 30 FFEDLO CC(C)(C#N)c1ccc(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000614159472 520831328 /nfs/dbraw/zinc/83/13/28/520831328.db2.gz BHDRIXJYJWJIIK-UHFFFAOYSA-N 1 2 368.525 2.618 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000610904324 520899903 /nfs/dbraw/zinc/89/99/03/520899903.db2.gz SZTWELUEOSEMQR-AWEZNQCLSA-N 1 2 365.437 2.981 20 30 FFEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)cc1Cl ZINC000601726675 520921782 /nfs/dbraw/zinc/92/17/82/520921782.db2.gz DXPNNEBWZVPSHO-UHFFFAOYSA-N 1 2 355.825 2.875 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610994995 520936711 /nfs/dbraw/zinc/93/67/11/520936711.db2.gz RLDMYWJVLLPIIQ-GOSISDBHSA-N 1 2 350.422 2.873 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994995 520936715 /nfs/dbraw/zinc/93/67/15/520936715.db2.gz RLDMYWJVLLPIIQ-GOSISDBHSA-N 1 2 350.422 2.873 20 30 FFEDLO CSc1cccnc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000593389804 520960726 /nfs/dbraw/zinc/96/07/26/520960726.db2.gz UXXCXGWCCGEOOS-UHFFFAOYSA-N 1 2 352.463 2.633 20 30 FFEDLO Cc1cc(NCCNC(=O)N[C@H](C)c2cccc(C#N)c2)nc(C(C)C)[nH+]1 ZINC000598998655 520969697 /nfs/dbraw/zinc/96/96/97/520969697.db2.gz LTESVFXIUGKJLS-OAHLLOKOSA-N 1 2 366.469 2.674 20 30 FFEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H](C#N)c1ccc(Br)cc1)CC2 ZINC000599013752 520979218 /nfs/dbraw/zinc/97/92/18/520979218.db2.gz MNUMUJULJGGHBP-DZGCQCFKSA-N 1 2 373.254 2.898 20 30 FFEDLO Cn1ncc(C#N)c1N[C@H]1CCc2[nH+]c(-c3ccc(F)cc3F)cn2C1 ZINC000596257755 520997329 /nfs/dbraw/zinc/99/73/29/520997329.db2.gz KNZRBBVHAMMXPZ-ZDUSSCGKSA-N 1 2 354.364 2.860 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000611152793 521013117 /nfs/dbraw/zinc/01/31/17/521013117.db2.gz FIKISPYQNBWAKA-MJGOQNOKSA-N 1 2 374.481 2.689 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000611152793 521013128 /nfs/dbraw/zinc/01/31/28/521013128.db2.gz FIKISPYQNBWAKA-MJGOQNOKSA-N 1 2 374.481 2.689 20 30 FFEDLO N#Cc1nc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)sc1Cl ZINC000596348014 521036961 /nfs/dbraw/zinc/03/69/61/521036961.db2.gz LBYUUVGVJXPRCH-CABCVRRESA-N 1 2 360.870 2.758 20 30 FFEDLO N#Cc1nc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)sc1Cl ZINC000596348014 521036969 /nfs/dbraw/zinc/03/69/69/521036969.db2.gz LBYUUVGVJXPRCH-CABCVRRESA-N 1 2 360.870 2.758 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@H](C(F)F)CC2)c1C ZINC000601972922 521048867 /nfs/dbraw/zinc/04/88/67/521048867.db2.gz APCWGRZUMYEURE-KRWDZBQOSA-N 1 2 365.424 2.906 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@H](C(F)F)CC2)c1C ZINC000601972922 521048874 /nfs/dbraw/zinc/04/88/74/521048874.db2.gz APCWGRZUMYEURE-KRWDZBQOSA-N 1 2 365.424 2.906 20 30 FFEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)N3CCCC3)CC2)c1 ZINC000611253471 521059953 /nfs/dbraw/zinc/05/99/53/521059953.db2.gz LRZCWHAFDYBBHS-UHFFFAOYSA-N 1 2 356.470 2.703 20 30 FFEDLO COCc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000611260358 521063349 /nfs/dbraw/zinc/06/33/49/521063349.db2.gz VETWXUPJJWCYEM-UHFFFAOYSA-N 1 2 352.438 2.892 20 30 FFEDLO Cc1cccn2cc(CNS(=O)(=O)c3ccc(C(C)(C)C#N)cc3)[nH+]c12 ZINC000593567590 521081559 /nfs/dbraw/zinc/08/15/59/521081559.db2.gz AJNZDNAVUBKNPM-UHFFFAOYSA-N 1 2 368.462 2.922 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c(F)c1 ZINC000593571594 521083957 /nfs/dbraw/zinc/08/39/57/521083957.db2.gz VFFUPQBCDQNNDS-UHFFFAOYSA-N 1 2 356.401 2.894 20 30 FFEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)CC2 ZINC000599234610 521100934 /nfs/dbraw/zinc/10/09/34/521100934.db2.gz WZKLICNKIZVEJP-ZFWWWQNUSA-N 1 2 373.254 2.898 20 30 FFEDLO Cc1nnc([C@H]2CCC[N@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C2)[nH]1 ZINC000611348282 521110667 /nfs/dbraw/zinc/11/06/67/521110667.db2.gz SXTDSGJLHXWWHR-INIZCTEOSA-N 1 2 361.453 2.859 20 30 FFEDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C2)[nH]1 ZINC000611348282 521110679 /nfs/dbraw/zinc/11/06/79/521110679.db2.gz SXTDSGJLHXWWHR-INIZCTEOSA-N 1 2 361.453 2.859 20 30 FFEDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C2)n1 ZINC000611348282 521110686 /nfs/dbraw/zinc/11/06/86/521110686.db2.gz SXTDSGJLHXWWHR-INIZCTEOSA-N 1 2 361.453 2.859 20 30 FFEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C2)n1 ZINC000611348282 521110695 /nfs/dbraw/zinc/11/06/95/521110695.db2.gz SXTDSGJLHXWWHR-INIZCTEOSA-N 1 2 361.453 2.859 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1cccc(C#N)c1 ZINC000611386623 521129752 /nfs/dbraw/zinc/12/97/52/521129752.db2.gz QABZWUOQKPTZDH-KGLIPLIRSA-N 1 2 359.437 2.733 20 30 FFEDLO C[N@@H+](Cc1nc2c(s1)CCCC2)C[C@H](O)COc1ccccc1C#N ZINC000599308644 521142761 /nfs/dbraw/zinc/14/27/61/521142761.db2.gz VUBBBJRLWJTADT-HNNXBMFYSA-N 1 2 357.479 2.765 20 30 FFEDLO C[N@H+](Cc1nc2c(s1)CCCC2)C[C@H](O)COc1ccccc1C#N ZINC000599308644 521142769 /nfs/dbraw/zinc/14/27/69/521142769.db2.gz VUBBBJRLWJTADT-HNNXBMFYSA-N 1 2 357.479 2.765 20 30 FFEDLO COc1cc(NC(=O)C[N@H+](C)Cc2ccc(C)c(C#N)c2)cc(OC)c1 ZINC000599330345 521156326 /nfs/dbraw/zinc/15/63/26/521156326.db2.gz KFCLQTAHNQFCTE-UHFFFAOYSA-N 1 2 353.422 2.954 20 30 FFEDLO COc1cc(NC(=O)C[N@@H+](C)Cc2ccc(C)c(C#N)c2)cc(OC)c1 ZINC000599330345 521156333 /nfs/dbraw/zinc/15/63/33/521156333.db2.gz KFCLQTAHNQFCTE-UHFFFAOYSA-N 1 2 353.422 2.954 20 30 FFEDLO CC(C)C[C@H](C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)n1cc[nH+]c1 ZINC000602146071 521172728 /nfs/dbraw/zinc/17/27/28/521172728.db2.gz UAASYEBMFQWDHR-QGZVFWFLSA-N 1 2 366.400 2.727 20 30 FFEDLO N#Cc1cccc(NC2CN(C(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)C2)c1 ZINC000602191653 521200196 /nfs/dbraw/zinc/20/01/96/521200196.db2.gz ZIAUZCVULOWABA-HNNXBMFYSA-N 1 2 363.343 2.571 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCc3[nH+]c[nH]c3C2)c1 ZINC000599424865 521214403 /nfs/dbraw/zinc/21/44/03/521214403.db2.gz XXKCXHZVZDQZNM-MRXNPFEDSA-N 1 2 351.454 2.720 20 30 FFEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551863 521215991 /nfs/dbraw/zinc/21/59/91/521215991.db2.gz VZLFKRKUIUVWLV-MBOZVWFJSA-N 1 2 372.488 2.797 20 30 FFEDLO Cc1nc(C)c(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 ZINC000618905016 521288670 /nfs/dbraw/zinc/28/86/70/521288670.db2.gz RPKJOCASJWZSKF-UHFFFAOYSA-N 1 2 353.382 2.733 20 30 FFEDLO N#Cc1ccc(Cc2cnc(NC(=O)NCc3ccc(N)[nH+]c3)s2)cc1 ZINC000618970416 521325240 /nfs/dbraw/zinc/32/52/40/521325240.db2.gz LJDYDINLMWGSNU-UHFFFAOYSA-N 1 2 364.434 2.735 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000593992785 521334992 /nfs/dbraw/zinc/33/49/92/521334992.db2.gz DZBMDEDGXBBEGV-OAHLLOKOSA-N 1 2 364.449 2.916 20 30 FFEDLO C[C@@H](CCC#N)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000602431974 521342539 /nfs/dbraw/zinc/34/25/39/521342539.db2.gz HDMJQWNPXNABEQ-LBPRGKRZSA-N 1 2 361.920 2.648 20 30 FFEDLO COc1cc(-c2noc(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)n2)ncn1 ZINC000594034957 521364326 /nfs/dbraw/zinc/36/43/26/521364326.db2.gz HAFZZRMBYVTQQA-UHFFFAOYSA-N 1 2 362.393 2.576 20 30 FFEDLO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675019 521389677 /nfs/dbraw/zinc/38/96/77/521389677.db2.gz GZBMOMDACNFNHU-KXBFYZLASA-N 1 2 368.481 2.515 20 30 FFEDLO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675019 521389682 /nfs/dbraw/zinc/38/96/82/521389682.db2.gz GZBMOMDACNFNHU-KXBFYZLASA-N 1 2 368.481 2.515 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685230 521400779 /nfs/dbraw/zinc/40/07/79/521400779.db2.gz AXHNTFOJJIIEEC-INIZCTEOSA-N 1 2 350.466 2.842 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685230 521400784 /nfs/dbraw/zinc/40/07/84/521400784.db2.gz AXHNTFOJJIIEEC-INIZCTEOSA-N 1 2 350.466 2.842 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)NCCc1ccc(F)cc1)C2 ZINC000599685279 521401205 /nfs/dbraw/zinc/40/12/05/521401205.db2.gz CZHWOLPWNZELJN-UHFFFAOYSA-N 1 2 351.425 2.609 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)NCCc1ccc(F)cc1)C2 ZINC000599685279 521401214 /nfs/dbraw/zinc/40/12/14/521401214.db2.gz CZHWOLPWNZELJN-UHFFFAOYSA-N 1 2 351.425 2.609 20 30 FFEDLO Cc1c(Cl)cnc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1C#N ZINC000612070459 521468076 /nfs/dbraw/zinc/46/80/76/521468076.db2.gz QTZXGFOXNYVBCW-BETUJISGSA-N 1 2 371.872 2.958 20 30 FFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594212592 521477592 /nfs/dbraw/zinc/47/75/92/521477592.db2.gz ZWOGTWYCAAJVFK-SFHVURJKSA-N 1 2 372.472 2.953 20 30 FFEDLO CC(C)(C)OC(=O)CCC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000612094695 521478280 /nfs/dbraw/zinc/47/82/80/521478280.db2.gz ZKRFKUVBIDSRJU-UHFFFAOYSA-N 1 2 360.458 2.668 20 30 FFEDLO COc1cc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(F)cc1C#N ZINC000599816036 521488192 /nfs/dbraw/zinc/48/81/92/521488192.db2.gz JBIIBEABQLKEFQ-CYBMUJFWSA-N 1 2 355.373 2.501 20 30 FFEDLO C[C@]1(C#N)CCC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000612162626 521512242 /nfs/dbraw/zinc/51/22/42/521512242.db2.gz IZCLUFYXKUTXPN-DYESRHJHSA-N 1 2 369.465 2.747 20 30 FFEDLO C[C@]1(C#N)CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000612162626 521512248 /nfs/dbraw/zinc/51/22/48/521512248.db2.gz IZCLUFYXKUTXPN-DYESRHJHSA-N 1 2 369.465 2.747 20 30 FFEDLO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612167415 521516933 /nfs/dbraw/zinc/51/69/33/521516933.db2.gz YKWWKXLTQYJAJL-AVYPCKFXSA-N 1 2 359.470 2.895 20 30 FFEDLO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612167415 521516934 /nfs/dbraw/zinc/51/69/34/521516934.db2.gz YKWWKXLTQYJAJL-AVYPCKFXSA-N 1 2 359.470 2.895 20 30 FFEDLO COC(=O)c1coc([C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000602772677 521525868 /nfs/dbraw/zinc/52/58/68/521525868.db2.gz MXYRYIQVMNQQIT-CYBMUJFWSA-N 1 2 355.394 2.937 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cc(Cl)cc(Cl)c2F)c1C#N ZINC000602777835 521526770 /nfs/dbraw/zinc/52/67/70/521526770.db2.gz VFJZDCOFZBLNEW-UHFFFAOYSA-N 1 2 370.215 2.553 20 30 FFEDLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647467 521811129 /nfs/dbraw/zinc/81/11/29/521811129.db2.gz SIFZDCQIRUMVRZ-PXNSSMCTSA-N 1 2 372.488 2.799 20 30 FFEDLO C=CCC1(C(=O)NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)CCCC1 ZINC000619942669 521961918 /nfs/dbraw/zinc/96/19/18/521961918.db2.gz UFCYXYNSUDEFOP-QFIPXVFZSA-N 1 2 372.509 2.503 20 30 FFEDLO C=CCC1(C(=O)NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)CCCC1 ZINC000619942669 521961923 /nfs/dbraw/zinc/96/19/23/521961923.db2.gz UFCYXYNSUDEFOP-QFIPXVFZSA-N 1 2 372.509 2.503 20 30 FFEDLO C=CC[C@H]1CCN(C(=O)NC[C@H](c2cccc(C)c2)[NH+]2CCOCC2)C1 ZINC000623420751 522010571 /nfs/dbraw/zinc/01/05/71/522010571.db2.gz NXIFQJPQZHDADJ-AZUAARDMSA-N 1 2 357.498 2.976 20 30 FFEDLO C=CCCC(C)(C)CNC(=O)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000636501237 523025566 /nfs/dbraw/zinc/02/55/66/523025566.db2.gz ZBTANYVIRFEHSI-UHFFFAOYSA-N 1 2 362.861 2.713 20 30 FFEDLO C=C(C)Cn1c(CC(C)C)n[n-]c1=[NH+]c1cnn(C2CC[NH+](C)CC2)c1 ZINC000634372823 523377726 /nfs/dbraw/zinc/37/77/26/523377726.db2.gz BNYLSCGCBPYAGH-UHFFFAOYSA-N 1 2 357.506 2.681 20 30 FFEDLO N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)n2)c(Cl)c1 ZINC000515396858 562008916 /nfs/dbraw/zinc/00/89/16/562008916.db2.gz BLQZNVLGCFJHFO-CYBMUJFWSA-N 1 2 366.812 2.795 20 30 FFEDLO Clc1cc(-c2nn[nH]n2)cc(N=NCc2cc(-n3cc[nH+]c3)cs2)n1 ZINC000826350369 609469850 /nfs/dbraw/zinc/46/98/50/609469850.db2.gz SRBQWSDLVGWLMP-UHFFFAOYSA-N 1 2 371.817 2.608 20 30 FFEDLO C#CCN1CCN(C(=O)C[N@@H+]([C@@H](C)c2ccccc2Cl)C2CC2)CC1 ZINC000746503510 735489580 /nfs/dbraw/zinc/48/95/80/735489580.db2.gz SUUXACGIGMLSLR-INIZCTEOSA-N 1 2 359.901 2.643 20 30 FFEDLO C#CCN1CCN(C(=O)C[N@H+]([C@@H](C)c2ccccc2Cl)C2CC2)CC1 ZINC000746503510 735489582 /nfs/dbraw/zinc/48/95/82/735489582.db2.gz SUUXACGIGMLSLR-INIZCTEOSA-N 1 2 359.901 2.643 20 30 FFEDLO C[N@H+](CC(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CCSC1 ZINC000123649354 728660967 /nfs/dbraw/zinc/66/09/67/728660967.db2.gz AZQLXCGSKLULAT-NEPJUHHUSA-N 1 2 369.849 2.564 20 30 FFEDLO C[N@@H+](CC(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CCSC1 ZINC000123649354 728660968 /nfs/dbraw/zinc/66/09/68/728660968.db2.gz AZQLXCGSKLULAT-NEPJUHHUSA-N 1 2 369.849 2.564 20 30 FFEDLO C#CCSCCNC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000172604971 729028942 /nfs/dbraw/zinc/02/89/42/729028942.db2.gz JZWOSXSEQJIRJY-UHFFFAOYSA-N 1 2 353.491 2.709 20 30 FFEDLO C#CCSCCNC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000172604971 729028946 /nfs/dbraw/zinc/02/89/46/729028946.db2.gz JZWOSXSEQJIRJY-UHFFFAOYSA-N 1 2 353.491 2.709 20 30 FFEDLO Cn1cccc1C(O)=CONC(=[NH2+])COc1ccc(Cl)cc1Cl ZINC000193727446 729488104 /nfs/dbraw/zinc/48/81/04/729488104.db2.gz OPFUUMHSYBIVNE-UHFFFAOYSA-N 1 2 356.209 2.882 20 30 FFEDLO CCOC1CC(C/N=C/c2cc(Cl)ccc2O)([NH+]2CCOCC2)C1 ZINC000193738565 729488281 /nfs/dbraw/zinc/48/82/81/729488281.db2.gz AHPAOPBXVBPOJY-UDWIEESQSA-N 1 2 352.862 2.734 20 30 FFEDLO C=CCC(CC=C)C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000759002994 736539940 /nfs/dbraw/zinc/53/99/40/736539940.db2.gz BUJOQCRRTXUZKU-UHFFFAOYSA-N 1 2 362.495 2.704 20 30 FFEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000874705178 732094691 /nfs/dbraw/zinc/09/46/91/732094691.db2.gz TTZXGTRLBKRJBO-LBPRGKRZSA-N 1 2 356.253 2.706 20 30 FFEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000874705178 732094694 /nfs/dbraw/zinc/09/46/94/732094694.db2.gz TTZXGTRLBKRJBO-LBPRGKRZSA-N 1 2 356.253 2.706 20 30 FFEDLO C=CC[N@H+](CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)C(C)(C)C ZINC000661755554 732238136 /nfs/dbraw/zinc/23/81/36/732238136.db2.gz TXVLIPIZYZRUET-KRWDZBQOSA-N 1 2 370.559 2.621 20 30 FFEDLO C=CC[N@@H+](CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)C(C)(C)C ZINC000661755554 732238140 /nfs/dbraw/zinc/23/81/40/732238140.db2.gz TXVLIPIZYZRUET-KRWDZBQOSA-N 1 2 370.559 2.621 20 30 FFEDLO C=C(C)C[C@@H](CO)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000878012750 732467820 /nfs/dbraw/zinc/46/78/20/732467820.db2.gz UPPNSAVIVUCODW-KGLIPLIRSA-N 1 2 352.504 2.824 20 30 FFEDLO C=C(C)C[C@@H](CO)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000878012750 732467823 /nfs/dbraw/zinc/46/78/23/732467823.db2.gz UPPNSAVIVUCODW-KGLIPLIRSA-N 1 2 352.504 2.824 20 30 FFEDLO CC[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1cccc(C#N)c1O ZINC000926497854 738621641 /nfs/dbraw/zinc/62/16/41/738621641.db2.gz BOPPGOBDTXSPSX-RHSMWYFYSA-N 1 2 356.447 2.876 20 30 FFEDLO N#Cc1cc(F)ccc1N1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000879588531 732729637 /nfs/dbraw/zinc/72/96/37/732729637.db2.gz HPFXYGYYOPEDTK-RUZDIDTESA-N 1 2 357.454 2.627 20 30 FFEDLO C[C@]1(c2ccc(Cl)s2)NC(=O)N(C[NH+]2CCC(CC#N)CC2)C1=O ZINC000781571722 738637888 /nfs/dbraw/zinc/63/78/88/738637888.db2.gz ISHHWVROBPKNFL-MRXNPFEDSA-N 1 2 366.874 2.752 20 30 FFEDLO Cc1csc([C@@H]2CC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)n1 ZINC000880008253 732818692 /nfs/dbraw/zinc/81/86/92/732818692.db2.gz BDOZYASOCLETHJ-OAHLLOKOSA-N 1 2 361.492 2.586 20 30 FFEDLO Cc1csc([C@@H]2CC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)n1 ZINC000880008253 732818695 /nfs/dbraw/zinc/81/86/95/732818695.db2.gz BDOZYASOCLETHJ-OAHLLOKOSA-N 1 2 361.492 2.586 20 30 FFEDLO Cc1csc([C@@H]2CC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000880008522 732818706 /nfs/dbraw/zinc/81/87/06/732818706.db2.gz DRBFQBXCPYKRLI-ZIAGYGMSSA-N 1 2 358.492 2.980 20 30 FFEDLO Cc1csc([C@@H]2CC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000880008522 732818711 /nfs/dbraw/zinc/81/87/11/732818711.db2.gz DRBFQBXCPYKRLI-ZIAGYGMSSA-N 1 2 358.492 2.980 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880054553 732834754 /nfs/dbraw/zinc/83/47/54/732834754.db2.gz HOOIOXQEBGCDQG-MGPQQGTHSA-N 1 2 361.408 2.759 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880054553 732834757 /nfs/dbraw/zinc/83/47/57/732834757.db2.gz HOOIOXQEBGCDQG-MGPQQGTHSA-N 1 2 361.408 2.759 20 30 FFEDLO COc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1C#N ZINC000880873371 732980920 /nfs/dbraw/zinc/98/09/20/732980920.db2.gz JFPDEIQIRNLDCO-UHFFFAOYSA-N 1 2 356.451 2.978 20 30 FFEDLO C=CC[C@@H](C)Sc1nnc([C@@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000882031030 733158312 /nfs/dbraw/zinc/15/83/12/733158312.db2.gz UCKLPBHGQIURCF-HZPDHXFCSA-N 1 2 367.563 2.680 20 30 FFEDLO C=CC[C@@H](C)Sc1nnc([C@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000882031028 733158359 /nfs/dbraw/zinc/15/83/59/733158359.db2.gz UCKLPBHGQIURCF-CVEARBPZSA-N 1 2 367.563 2.680 20 30 FFEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(CCC#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000885057386 733617611 /nfs/dbraw/zinc/61/76/11/733617611.db2.gz MRDHLCNDAVHZGX-MAUKXSAKSA-N 1 2 358.467 2.611 20 30 FFEDLO N#CCCc1ccc(S(=O)(=O)Nc2c[nH+]ccc2N2CCCC2)cc1 ZINC000886405019 733784517 /nfs/dbraw/zinc/78/45/17/733784517.db2.gz RBOIUDKRVRKBEH-UHFFFAOYSA-N 1 2 356.451 2.939 20 30 FFEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000886768422 733829550 /nfs/dbraw/zinc/82/95/50/733829550.db2.gz AJLGWGNDWIJMEZ-UHFFFAOYSA-N 1 2 353.806 2.590 20 30 FFEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000888218854 734022638 /nfs/dbraw/zinc/02/26/38/734022638.db2.gz LWGYJEBQBARDGH-CYBMUJFWSA-N 1 2 363.531 2.675 20 30 FFEDLO CNS(=O)(=O)c1cccc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)c1 ZINC000783706254 738827898 /nfs/dbraw/zinc/82/78/98/738827898.db2.gz ARBKSBZPALUHFM-AATRIKPKSA-N 1 2 373.459 2.738 20 30 FFEDLO N#CCOc1ccc(Cl)cc1CN1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000735310686 734940465 /nfs/dbraw/zinc/94/04/65/734940465.db2.gz ATWJLBYLAPJTII-GOSISDBHSA-N 1 2 363.889 2.929 20 30 FFEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](CC)C[C@@H]2CCOC2)c1=S ZINC000738081481 735020783 /nfs/dbraw/zinc/02/07/83/735020783.db2.gz LFXKMZBOCMTKBK-HNNXBMFYSA-N 1 2 359.499 2.978 20 30 FFEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](CC)C[C@@H]2CCOC2)c1=S ZINC000738081481 735020787 /nfs/dbraw/zinc/02/07/87/735020787.db2.gz LFXKMZBOCMTKBK-HNNXBMFYSA-N 1 2 359.499 2.978 20 30 FFEDLO C#CCC1(O)CC[NH+](Cc2c(F)ccc(C3OCCO3)c2Cl)CC1 ZINC000895669415 735038613 /nfs/dbraw/zinc/03/86/13/735038613.db2.gz CJLGPWHVNWJPLG-UHFFFAOYSA-N 1 2 353.821 2.875 20 30 FFEDLO C=CCn1nnn(C[N@H+]2CCC[C@@H](Cc3ccc(OC)cc3)C2)c1=S ZINC000742154901 735207010 /nfs/dbraw/zinc/20/70/10/735207010.db2.gz DSVFYLGUEMPWHG-INIZCTEOSA-N 1 2 359.499 2.916 20 30 FFEDLO C=CCn1nnn(C[N@@H+]2CCC[C@@H](Cc3ccc(OC)cc3)C2)c1=S ZINC000742154901 735207012 /nfs/dbraw/zinc/20/70/12/735207012.db2.gz DSVFYLGUEMPWHG-INIZCTEOSA-N 1 2 359.499 2.916 20 30 FFEDLO C#CCN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CSC1 ZINC000903171148 736047678 /nfs/dbraw/zinc/04/76/78/736047678.db2.gz MZRVCIRBNDTXJD-UHFFFAOYSA-N 1 2 356.451 2.545 20 30 FFEDLO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1cccc(C#N)c1O ZINC000903481298 736100095 /nfs/dbraw/zinc/10/00/95/736100095.db2.gz YTAAZSIWUBQSQM-CMPLNLGQSA-N 1 2 361.243 2.888 20 30 FFEDLO Cc1nc(N2CCN(C(=S)Nc3ccc(C#N)c(Cl)c3)CC2)cc[nH+]1 ZINC000758923908 736532135 /nfs/dbraw/zinc/53/21/35/736532135.db2.gz SPSJFOWEJNNPPY-UHFFFAOYSA-N 1 2 372.885 2.829 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3ccc(Cl)c(F)c3)CC2)nc1 ZINC000759047162 736543169 /nfs/dbraw/zinc/54/31/69/736543169.db2.gz ZPKJNWUKRUZKER-KRWDZBQOSA-N 1 2 360.820 2.601 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)nc(C(C)(C)C)nc2SC)CC1 ZINC000760481208 736642924 /nfs/dbraw/zinc/64/29/24/736642924.db2.gz ZZISMNMPDCALGJ-UHFFFAOYSA-N 1 2 360.527 2.586 20 30 FFEDLO C#CCOc1ccccc1C[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000763382701 736933965 /nfs/dbraw/zinc/93/39/65/736933965.db2.gz KVQQYTSGBJAJIC-QGZVFWFLSA-N 1 2 373.250 2.777 20 30 FFEDLO C#CC[N@@H+](CC#CC)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000769451043 737531159 /nfs/dbraw/zinc/53/11/59/737531159.db2.gz GJGJNSCMUGOCLM-UHFFFAOYSA-N 1 2 360.885 2.510 20 30 FFEDLO C#CC[N@H+](CC#CC)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000769451043 737531162 /nfs/dbraw/zinc/53/11/62/737531162.db2.gz GJGJNSCMUGOCLM-UHFFFAOYSA-N 1 2 360.885 2.510 20 30 FFEDLO CC(=[NH+]Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc(N)nc1 ZINC000814800649 741866648 /nfs/dbraw/zinc/86/66/48/741866648.db2.gz GSBIKUVGDISPDG-UHFFFAOYSA-N 1 2 358.345 2.793 20 30 FFEDLO C#CCC[NH+]1CCN(CC[S@@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000776594831 738212606 /nfs/dbraw/zinc/21/26/06/738212606.db2.gz XZZCKHCMHQYQOC-JOCHJYFZSA-N 1 2 359.322 2.742 20 30 FFEDLO Cc1c(Br)c(C)n(N=Cc2cccc3[nH+]ccn32)c(=O)c1C#N ZINC000788453925 739246334 /nfs/dbraw/zinc/24/63/34/739246334.db2.gz HJRWEXCNYAFGPO-UHFFFAOYSA-N 1 2 370.210 2.629 20 30 FFEDLO N#Cc1ccsc1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000931845009 739338851 /nfs/dbraw/zinc/33/88/51/739338851.db2.gz GAEKMNKVZRRNHL-UHFFFAOYSA-N 1 2 356.451 2.774 20 30 FFEDLO CCn1c[nH+]c2c1CCN([C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000933263814 739590754 /nfs/dbraw/zinc/59/07/54/739590754.db2.gz VMPKLNSHTSCKDO-LBPRGKRZSA-N 1 2 357.845 2.813 20 30 FFEDLO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C(F)(F)C(F)F ZINC000792555425 739682275 /nfs/dbraw/zinc/68/22/75/739682275.db2.gz OBDCEKDYPPOPCG-UHFFFAOYSA-N 1 2 350.278 2.808 20 30 FFEDLO COc1ccc(CN2CC[C@@H]([N@H+](C)Cc3cc(C#N)cs3)C2=O)cc1 ZINC000933769970 739687520 /nfs/dbraw/zinc/68/75/20/739687520.db2.gz DMLYMKPOMWLKKS-GOSISDBHSA-N 1 2 355.463 2.861 20 30 FFEDLO COc1ccc(CN2CC[C@@H]([N@@H+](C)Cc3cc(C#N)cs3)C2=O)cc1 ZINC000933769970 739687523 /nfs/dbraw/zinc/68/75/23/739687523.db2.gz DMLYMKPOMWLKKS-GOSISDBHSA-N 1 2 355.463 2.861 20 30 FFEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000795133565 739971322 /nfs/dbraw/zinc/97/13/22/739971322.db2.gz VTBCZPYRHYKTMR-SWLSCSKDSA-N 1 2 364.902 2.703 20 30 FFEDLO C#CCN(CC#N)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000798801456 740363706 /nfs/dbraw/zinc/36/37/06/740363706.db2.gz QGXQWSXTCKGVPK-INIZCTEOSA-N 1 2 360.255 2.571 20 30 FFEDLO C#CCN(C1CCCCC1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000799766340 740448944 /nfs/dbraw/zinc/44/89/44/740448944.db2.gz XXKGWFFONPDQBV-UHFFFAOYSA-N 1 2 357.479 2.888 20 30 FFEDLO C=C(Br)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC000969034822 740728480 /nfs/dbraw/zinc/72/84/80/740728480.db2.gz PZRDENVGAHILSX-RBSFLKMASA-N 1 2 359.308 2.823 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC000969034822 740728482 /nfs/dbraw/zinc/72/84/82/740728482.db2.gz PZRDENVGAHILSX-RBSFLKMASA-N 1 2 359.308 2.823 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)s2)C1 ZINC000972507695 740832478 /nfs/dbraw/zinc/83/24/78/740832478.db2.gz BXBYLDDDPHCRBW-BQFCYCMXSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)s2)C1 ZINC000972507695 740832483 /nfs/dbraw/zinc/83/24/83/740832483.db2.gz BXBYLDDDPHCRBW-BQFCYCMXSA-N 1 2 363.527 2.856 20 30 FFEDLO C#CCCCS(=O)(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000805054988 740932351 /nfs/dbraw/zinc/93/23/51/740932351.db2.gz PJOWGRHLHCYPDV-IRXDYDNUSA-N 1 2 372.893 2.947 20 30 FFEDLO C#CCCCS(=O)(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000805054988 740932354 /nfs/dbraw/zinc/93/23/54/740932354.db2.gz PJOWGRHLHCYPDV-IRXDYDNUSA-N 1 2 372.893 2.947 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC001003651383 742210860 /nfs/dbraw/zinc/21/08/60/742210860.db2.gz KBAXGRRGNFLIMD-BEFAXECRSA-N 1 2 360.885 2.697 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2OC)C1 ZINC001015726492 742479482 /nfs/dbraw/zinc/47/94/82/742479482.db2.gz NXDNGLSYBLMJJB-BBWFWOEESA-N 1 2 364.873 2.630 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)cc2OC)C1 ZINC001015726492 742479484 /nfs/dbraw/zinc/47/94/84/742479484.db2.gz NXDNGLSYBLMJJB-BBWFWOEESA-N 1 2 364.873 2.630 20 30 FFEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC001017561036 742509672 /nfs/dbraw/zinc/50/96/72/742509672.db2.gz PJCRECXIOZGNJE-OARYSHLNSA-N 1 2 354.416 2.910 20 30 FFEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC001017561036 742509678 /nfs/dbraw/zinc/50/96/78/742509678.db2.gz PJCRECXIOZGNJE-OARYSHLNSA-N 1 2 354.416 2.910 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2cc(F)ccc2F)C1 ZINC001031990375 742854346 /nfs/dbraw/zinc/85/43/46/742854346.db2.gz ZHCDXZQISMDVFG-DWQUBVKVSA-N 1 2 350.409 2.665 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001033087040 742870948 /nfs/dbraw/zinc/87/09/48/742870948.db2.gz PIVWLQHXXBIIQC-BBWFWOEESA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001033087040 742870960 /nfs/dbraw/zinc/87/09/60/742870960.db2.gz PIVWLQHXXBIIQC-BBWFWOEESA-N 1 2 363.889 2.749 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001033090314 742873099 /nfs/dbraw/zinc/87/30/99/742873099.db2.gz NBQSXQFTWSMDMR-OWCLPIDISA-N 1 2 364.287 2.626 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001033090314 742873110 /nfs/dbraw/zinc/87/31/10/742873110.db2.gz NBQSXQFTWSMDMR-OWCLPIDISA-N 1 2 364.287 2.626 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2csc(CC)n2)C1 ZINC001033499364 742895084 /nfs/dbraw/zinc/89/50/84/742895084.db2.gz IQEFGIZVCMXSQA-RYRKJORJSA-N 1 2 363.527 2.719 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2csc(CC)n2)C1 ZINC001033499364 742895093 /nfs/dbraw/zinc/89/50/93/742895093.db2.gz IQEFGIZVCMXSQA-RYRKJORJSA-N 1 2 363.527 2.719 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2csc(CC)n2)C1 ZINC001033499363 742895299 /nfs/dbraw/zinc/89/52/99/742895299.db2.gz IQEFGIZVCMXSQA-BQFCYCMXSA-N 1 2 363.527 2.719 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2csc(CC)n2)C1 ZINC001033499363 742895309 /nfs/dbraw/zinc/89/53/09/742895309.db2.gz IQEFGIZVCMXSQA-BQFCYCMXSA-N 1 2 363.527 2.719 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001046641029 743335710 /nfs/dbraw/zinc/33/57/10/743335710.db2.gz PCOHNHDBWSMGGD-ZMSDIMECSA-N 1 2 364.287 2.674 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001046641029 743335720 /nfs/dbraw/zinc/33/57/20/743335720.db2.gz PCOHNHDBWSMGGD-ZMSDIMECSA-N 1 2 364.287 2.674 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001046958326 743343210 /nfs/dbraw/zinc/34/32/10/743343210.db2.gz XMZQTIWUTKPGAD-FMKPAKJESA-N 1 2 362.848 2.772 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001046958326 743343215 /nfs/dbraw/zinc/34/32/15/743343215.db2.gz XMZQTIWUTKPGAD-FMKPAKJESA-N 1 2 362.848 2.772 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000827798215 744980338 /nfs/dbraw/zinc/98/03/38/744980338.db2.gz NMDWHLLIUFSBBB-OAUYIBNBSA-N 1 2 352.837 2.769 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000827798215 744980340 /nfs/dbraw/zinc/98/03/40/744980340.db2.gz NMDWHLLIUFSBBB-OAUYIBNBSA-N 1 2 352.837 2.769 20 30 FFEDLO CC(C)C#CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000832824376 745762241 /nfs/dbraw/zinc/76/22/41/745762241.db2.gz XEPRSEIIPAWCFK-UHFFFAOYSA-N 1 2 364.287 2.799 20 30 FFEDLO C[NH+]1CCN(c2ccc(NC(=O)C#CC3CC3)cc2Br)CC1 ZINC000837570742 746477123 /nfs/dbraw/zinc/47/71/23/746477123.db2.gz CZKMIOVSGRHNPT-UHFFFAOYSA-N 1 2 362.271 2.553 20 30 FFEDLO Cc1cc(N(C)C)ccc1C=[NH+]Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000841638385 747423533 /nfs/dbraw/zinc/42/35/33/747423533.db2.gz CMFAZPWNXZKMRO-UHFFFAOYSA-N 1 2 360.483 2.757 20 30 FFEDLO C#CC1CC[NH+]([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC1 ZINC000843270674 747800755 /nfs/dbraw/zinc/80/07/55/747800755.db2.gz XQPXBEMCBLGQHI-CQSZACIVSA-N 1 2 351.233 2.971 20 30 FFEDLO COc1cc(C=NNCCCn2cc[nH+]c2)ccc1OCC(F)(F)F ZINC000848418148 748921455 /nfs/dbraw/zinc/92/14/55/748921455.db2.gz KMCWLRFCUMTHRA-UHFFFAOYSA-N 1 2 356.348 2.847 20 30 FFEDLO C[C@@H]1CC(=NN2C(=O)c3ccc(Br)cc3C2=O)C[N@@H+]1C1CC1 ZINC000848420060 748921579 /nfs/dbraw/zinc/92/15/79/748921579.db2.gz NZWVZAIBEACEJW-SECBINFHSA-N 1 2 362.227 2.658 20 30 FFEDLO C[C@@H]1CC(=NN2C(=O)c3ccc(Br)cc3C2=O)C[N@H+]1C1CC1 ZINC000848420060 748921583 /nfs/dbraw/zinc/92/15/83/748921583.db2.gz NZWVZAIBEACEJW-SECBINFHSA-N 1 2 362.227 2.658 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnc(CC(C)C)[nH]3)C[C@@H]2C1 ZINC001087965744 971367418 /nfs/dbraw/zinc/36/74/18/971367418.db2.gz WBFFGUQOFFZTJT-CABCVRRESA-N 1 2 350.894 2.755 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc(CC(C)C)[nH]3)C[C@@H]2C1 ZINC001087965744 971367423 /nfs/dbraw/zinc/36/74/23/971367423.db2.gz WBFFGUQOFFZTJT-CABCVRRESA-N 1 2 350.894 2.755 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@@H]2C1 ZINC001087973054 971414152 /nfs/dbraw/zinc/41/41/52/971414152.db2.gz HTZGHGJEGVLUSV-OWCLPIDISA-N 1 2 369.362 2.739 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@@H]2C1 ZINC001087973054 971414155 /nfs/dbraw/zinc/41/41/55/971414155.db2.gz HTZGHGJEGVLUSV-OWCLPIDISA-N 1 2 369.362 2.739 20 30 FFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000665447465 971478378 /nfs/dbraw/zinc/47/83/78/971478378.db2.gz GTHYQUYCMRIDTO-CALCHBBNSA-N 1 2 368.481 2.789 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000054230863 971568779 /nfs/dbraw/zinc/56/87/79/971568779.db2.gz FFYOKWUMUOYFMH-UHFFFAOYSA-N 1 2 368.437 2.571 20 30 FFEDLO Cn1cnnc1C1CC[NH+](Cc2cc(Br)ccc2C#N)CC1 ZINC001141905050 971644505 /nfs/dbraw/zinc/64/45/05/971644505.db2.gz OGBIJGDNBXGMFP-UHFFFAOYSA-N 1 2 360.259 2.829 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC000974449196 971863702 /nfs/dbraw/zinc/86/37/02/971863702.db2.gz HOLIXDYGSSZHJH-RDTXWAMCSA-N 1 2 366.465 2.838 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](OC)c1ccc(F)cc1)C2 ZINC001111482614 971962995 /nfs/dbraw/zinc/96/29/95/971962995.db2.gz QDVPCBHSLCZSCT-NCOADZHNSA-N 1 2 352.837 2.987 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](OC)c1ccc(F)cc1)C2 ZINC001111482614 971963001 /nfs/dbraw/zinc/96/30/01/971963001.db2.gz QDVPCBHSLCZSCT-NCOADZHNSA-N 1 2 352.837 2.987 20 30 FFEDLO C=CCOc1ccc(/C=C/C(=O)O[C@@H](C)C[NH+]2CCOCC2)cc1OC ZINC000784919664 959032267 /nfs/dbraw/zinc/03/22/67/959032267.db2.gz VMWJDSXTJVEQNV-BVBGJJFLSA-N 1 2 361.438 2.537 20 30 FFEDLO C#C[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000890648507 959871089 /nfs/dbraw/zinc/87/10/89/959871089.db2.gz KMBSWWLWAGNIGW-GOSISDBHSA-N 1 2 350.422 2.540 20 30 FFEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(C(=O)OCc3ccccc3)CC2)cc1 ZINC000160270947 959882287 /nfs/dbraw/zinc/88/22/87/959882287.db2.gz IIZQWHQGCQPSIQ-HXUWFJFHSA-N 1 2 365.433 2.546 20 30 FFEDLO C[C@@H](NC(=O)[C@]12CCC[C@H]1OCC2)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970141454 960257325 /nfs/dbraw/zinc/25/73/25/960257325.db2.gz BBMULJZVAIEYTL-MMACOIQUSA-N 1 2 371.456 2.593 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nsc(N(C)C)n2)C1 ZINC001104245726 960442273 /nfs/dbraw/zinc/44/22/73/960442273.db2.gz XXQBKGCDCOJUFP-HUUCEWRRSA-N 1 2 365.547 2.535 20 30 FFEDLO C=CCN1C(=O)COCC12C[NH+](Cc1sc(-c3ccccc3)nc1C)C2 ZINC001275981065 1013252441 /nfs/dbraw/zinc/25/24/41/1013252441.db2.gz VYKHQZFQFWIEQJ-UHFFFAOYSA-N 1 2 369.490 2.718 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C#N)cc2Br)C1=O ZINC001275979997 1013254607 /nfs/dbraw/zinc/25/46/07/1013254607.db2.gz MRIWHSCBPRGMCA-SFHVURJKSA-N 1 2 372.266 2.521 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C#N)cc2Br)C1=O ZINC001275979997 1013254617 /nfs/dbraw/zinc/25/46/17/1013254617.db2.gz MRIWHSCBPRGMCA-SFHVURJKSA-N 1 2 372.266 2.521 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2nc3ccccc3o2)C1 ZINC000970569267 961728143 /nfs/dbraw/zinc/72/81/43/961728143.db2.gz NRPGMBPYOJKOEA-IIMJZQEZSA-N 1 2 369.465 2.746 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1C#N ZINC000135023683 962165067 /nfs/dbraw/zinc/16/50/67/962165067.db2.gz ODWKZWQYWCJGQZ-UHFFFAOYSA-N 1 2 350.397 2.900 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)c(F)c1 ZINC001276083635 1013421999 /nfs/dbraw/zinc/42/19/99/1013421999.db2.gz POKWGEJTOIBRMH-HUUCEWRRSA-N 1 2 355.335 2.825 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)c(F)c1 ZINC001276083635 1013422007 /nfs/dbraw/zinc/42/20/07/1013422007.db2.gz POKWGEJTOIBRMH-HUUCEWRRSA-N 1 2 355.335 2.825 20 30 FFEDLO CC(C)(C)OC(=O)N1CCOC2(CC[NH+](Cc3ccncc3C#N)CC2)C1 ZINC000933462665 964418473 /nfs/dbraw/zinc/41/84/73/964418473.db2.gz CDXRAITVBSWDML-UHFFFAOYSA-N 1 2 372.469 2.555 20 30 FFEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000134654944 964567417 /nfs/dbraw/zinc/56/74/17/964567417.db2.gz HOGYDDCHIHFDIT-YOEHRIQHSA-N 1 2 372.469 2.874 20 30 FFEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000134654944 964567422 /nfs/dbraw/zinc/56/74/22/964567422.db2.gz HOGYDDCHIHFDIT-YOEHRIQHSA-N 1 2 372.469 2.874 20 30 FFEDLO C=CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)[C@@H](C)COC ZINC000664555011 964661769 /nfs/dbraw/zinc/66/17/69/964661769.db2.gz MZSJEJMLXAWGTM-MORSLUCNSA-N 1 2 367.440 2.943 20 30 FFEDLO C=CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)[C@@H](C)COC ZINC000664555011 964661779 /nfs/dbraw/zinc/66/17/79/964661779.db2.gz MZSJEJMLXAWGTM-MORSLUCNSA-N 1 2 367.440 2.943 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2cscn2)C1 ZINC001087470402 965348773 /nfs/dbraw/zinc/34/87/73/965348773.db2.gz BVIGTIMDIZSNPJ-ROUUACIJSA-N 1 2 369.490 2.763 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2cscn2)C1 ZINC001087470402 965348779 /nfs/dbraw/zinc/34/87/79/965348779.db2.gz BVIGTIMDIZSNPJ-ROUUACIJSA-N 1 2 369.490 2.763 20 30 FFEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000092915066 965423421 /nfs/dbraw/zinc/42/34/21/965423421.db2.gz IBCJWFWKYXRXHT-NRFANRHFSA-N 1 2 366.465 2.961 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnsn2)cc1 ZINC001087197312 966097843 /nfs/dbraw/zinc/09/78/43/966097843.db2.gz IKASWUYFCBFYKQ-KDOFPFPSSA-N 1 2 354.479 2.550 20 30 FFEDLO C#CCCCc1nnc(N2CC[NH+](Cc3ccccn3)CC2)n1CC(=C)C ZINC000909321397 966210397 /nfs/dbraw/zinc/21/03/97/966210397.db2.gz XDSXKJSKCVABLO-UHFFFAOYSA-N 1 2 364.497 2.527 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cncs2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001087513450 967540582 /nfs/dbraw/zinc/54/05/82/967540582.db2.gz TXCDOVPAWLINNW-JKSUJKDBSA-N 1 2 358.442 2.937 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cncs2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001087513450 967540591 /nfs/dbraw/zinc/54/05/91/967540591.db2.gz TXCDOVPAWLINNW-JKSUJKDBSA-N 1 2 358.442 2.937 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cocn2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087519659 967601478 /nfs/dbraw/zinc/60/14/78/967601478.db2.gz XFUNDCQZFUBJJN-FUHWJXTLSA-N 1 2 357.841 2.962 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cocn2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087519659 967601481 /nfs/dbraw/zinc/60/14/81/967601481.db2.gz XFUNDCQZFUBJJN-FUHWJXTLSA-N 1 2 357.841 2.962 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1cnc(C)cn1 ZINC001029312218 967686130 /nfs/dbraw/zinc/68/61/30/967686130.db2.gz WMSLVJFWJSVCJR-IPLXSBJHSA-N 1 2 370.497 2.502 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1cnc(C)cn1 ZINC001029312218 967686136 /nfs/dbraw/zinc/68/61/36/967686136.db2.gz WMSLVJFWJSVCJR-IPLXSBJHSA-N 1 2 370.497 2.502 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cnccc2C)[C@H]1CC ZINC001087528942 967723727 /nfs/dbraw/zinc/72/37/27/967723727.db2.gz IJFNHZWDDKQDFK-LSDHHAIUSA-N 1 2 352.276 2.881 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cnccc2C)[C@H]1CC ZINC001087528942 967723729 /nfs/dbraw/zinc/72/37/29/967723729.db2.gz IJFNHZWDDKQDFK-LSDHHAIUSA-N 1 2 352.276 2.881 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)[C@H]1CC ZINC001087654061 968497775 /nfs/dbraw/zinc/49/77/75/968497775.db2.gz HUPSRICKCCSCNE-HWMZRRJGSA-N 1 2 371.319 2.823 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)[C@H]1CC ZINC001087654061 968497779 /nfs/dbraw/zinc/49/77/79/968497779.db2.gz HUPSRICKCCSCNE-HWMZRRJGSA-N 1 2 371.319 2.823 20 30 FFEDLO N#Cc1ccccc1OCCCNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176973148 1013819989 /nfs/dbraw/zinc/81/99/89/1013819989.db2.gz DCQIDVHULKCAIM-SFHVURJKSA-N 1 2 364.449 2.755 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nocc3C)[C@@H]2CC)cc1 ZINC001087753491 968906217 /nfs/dbraw/zinc/90/62/17/968906217.db2.gz KZMOIPDEWNLVSF-AZUAARDMSA-N 1 2 367.449 2.778 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nocc3C)[C@@H]2CC)cc1 ZINC001087753491 968906224 /nfs/dbraw/zinc/90/62/24/968906224.db2.gz KZMOIPDEWNLVSF-AZUAARDMSA-N 1 2 367.449 2.778 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ncccc2OC)[C@H]1CC ZINC001087808045 970335337 /nfs/dbraw/zinc/33/53/37/970335337.db2.gz UIWQGBRYVXRHDP-QWHCGFSZSA-N 1 2 368.275 2.582 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ncccc2OC)[C@H]1CC ZINC001087808045 970335349 /nfs/dbraw/zinc/33/53/49/970335349.db2.gz UIWQGBRYVXRHDP-QWHCGFSZSA-N 1 2 368.275 2.582 20 30 FFEDLO Cc1noc(C)c1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001075536017 970470241 /nfs/dbraw/zinc/47/02/41/970470241.db2.gz KALJMQSANBZTOH-MAUKXSAKSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1noc(C)c1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001075536017 970470251 /nfs/dbraw/zinc/47/02/51/970470251.db2.gz KALJMQSANBZTOH-MAUKXSAKSA-N 1 2 368.412 2.649 20 30 FFEDLO CC[C@@H]1C[N@H+](CC(=O)NCCc2c(F)cccc2F)C[C@@]2(CCOC2)O1 ZINC000330147126 970563797 /nfs/dbraw/zinc/56/37/97/970563797.db2.gz ILHKMPDZFANSTD-AUUYWEPGSA-N 1 2 368.424 2.734 20 30 FFEDLO CC[C@@H]1C[N@@H+](CC(=O)NCCc2c(F)cccc2F)C[C@@]2(CCOC2)O1 ZINC000330147126 970563806 /nfs/dbraw/zinc/56/38/06/970563806.db2.gz ILHKMPDZFANSTD-AUUYWEPGSA-N 1 2 368.424 2.734 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC23CCOCC3)[C@H]1CC ZINC001087852467 970626389 /nfs/dbraw/zinc/62/63/89/970626389.db2.gz VHBXQLJLECUCHT-QLFBSQMISA-N 1 2 371.319 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC23CCOCC3)[C@H]1CC ZINC001087852467 970626398 /nfs/dbraw/zinc/62/63/98/970626398.db2.gz VHBXQLJLECUCHT-QLFBSQMISA-N 1 2 371.319 2.681 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccns4)[C@@H]3C2)cc1F ZINC001075846208 973686392 /nfs/dbraw/zinc/68/63/92/973686392.db2.gz XMYYFYXAYDZLAI-GOEBONIOSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccns4)[C@@H]3C2)cc1F ZINC001075846208 973686396 /nfs/dbraw/zinc/68/63/96/973686396.db2.gz XMYYFYXAYDZLAI-GOEBONIOSA-N 1 2 356.426 2.500 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2ncc(C)o2)CC1(C)C ZINC000977270476 974717996 /nfs/dbraw/zinc/71/79/96/974717996.db2.gz BKYKHBMZRZHOGC-BQFCYCMXSA-N 1 2 361.486 2.681 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[N@@H+](Cc2ncc(C)o2)CC1(C)C ZINC000977270476 974718004 /nfs/dbraw/zinc/71/80/04/974718004.db2.gz BKYKHBMZRZHOGC-BQFCYCMXSA-N 1 2 361.486 2.681 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000667087123 975808905 /nfs/dbraw/zinc/80/89/05/975808905.db2.gz GQRFXSUIUPQARS-QGZVFWFLSA-N 1 2 364.449 2.898 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cccc3c[nH]nc32)[C@H]1C ZINC001088785828 976211428 /nfs/dbraw/zinc/21/14/28/976211428.db2.gz AIESHVNQABBUHI-RISCZKNCSA-N 1 2 363.259 2.664 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cccc3c[nH]nc32)[C@H]1C ZINC001088785828 976211437 /nfs/dbraw/zinc/21/14/37/976211437.db2.gz AIESHVNQABBUHI-RISCZKNCSA-N 1 2 363.259 2.664 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccn(C(C)C)n3)[C@@H]2C)cc1 ZINC001088787090 976223822 /nfs/dbraw/zinc/22/38/22/976223822.db2.gz PXPZBTCZPJVKRB-UZLBHIALSA-N 1 2 350.466 2.838 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C(C)C)n3)[C@@H]2C)cc1 ZINC001088787090 976223833 /nfs/dbraw/zinc/22/38/33/976223833.db2.gz PXPZBTCZPJVKRB-UZLBHIALSA-N 1 2 350.466 2.838 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)nc(C(C)C)[nH]c2=O)[C@H]1C ZINC001088787338 976229763 /nfs/dbraw/zinc/22/97/63/976229763.db2.gz DEWBCBFRSWHPAY-OLZOCXBDSA-N 1 2 352.866 2.559 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)nc(C(C)C)[nH]c2=O)[C@H]1C ZINC001088787338 976229774 /nfs/dbraw/zinc/22/97/74/976229774.db2.gz DEWBCBFRSWHPAY-OLZOCXBDSA-N 1 2 352.866 2.559 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCc2nc(-c3ccccc3)no2)cc1OC ZINC000126056153 1014323170 /nfs/dbraw/zinc/32/31/70/1014323170.db2.gz PQWSNNDZRCSXKN-UHFFFAOYSA-N 1 2 368.393 2.785 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC3(C)C)[C@H]2C)c1 ZINC001088803371 976436588 /nfs/dbraw/zinc/43/65/88/976436588.db2.gz HDCBNILTKJRNDY-LZQZEXGQSA-N 1 2 367.493 2.622 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC3(C)C)[C@H]2C)c1 ZINC001088803371 976436594 /nfs/dbraw/zinc/43/65/94/976436594.db2.gz HDCBNILTKJRNDY-LZQZEXGQSA-N 1 2 367.493 2.622 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000981370937 976498463 /nfs/dbraw/zinc/49/84/63/976498463.db2.gz AJMVMMUFFBBBCH-APWZRJJASA-N 1 2 359.445 2.547 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000981370937 976498468 /nfs/dbraw/zinc/49/84/68/976498468.db2.gz AJMVMMUFFBBBCH-APWZRJJASA-N 1 2 359.445 2.547 20 30 FFEDLO CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1OC ZINC001211768574 977864733 /nfs/dbraw/zinc/86/47/33/977864733.db2.gz JLMWWBOPLVBLRR-IAGOWNOFSA-N 1 2 368.399 2.672 20 30 FFEDLO CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1OC ZINC001211768574 977864739 /nfs/dbraw/zinc/86/47/39/977864739.db2.gz JLMWWBOPLVBLRR-IAGOWNOFSA-N 1 2 368.399 2.672 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2c(C)noc2CC)C1 ZINC001087459906 977995392 /nfs/dbraw/zinc/99/53/92/977995392.db2.gz DTUGSCYZRGYCKQ-QZTJIDSGSA-N 1 2 369.440 2.906 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2c(C)noc2CC)C1 ZINC001087459906 977995399 /nfs/dbraw/zinc/99/53/99/977995399.db2.gz DTUGSCYZRGYCKQ-QZTJIDSGSA-N 1 2 369.440 2.906 20 30 FFEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC001211822661 978092553 /nfs/dbraw/zinc/09/25/53/978092553.db2.gz BDSLXCBSJDSDRN-UHFFFAOYSA-N 1 2 373.453 2.511 20 30 FFEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC001211822661 978092560 /nfs/dbraw/zinc/09/25/60/978092560.db2.gz BDSLXCBSJDSDRN-UHFFFAOYSA-N 1 2 373.453 2.511 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC(C)C)CCCC1 ZINC001111522645 978242009 /nfs/dbraw/zinc/24/20/09/978242009.db2.gz IHOUCQZROCCPST-KURKYZTESA-N 1 2 361.530 2.617 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC(C)C)CCCC1 ZINC001111522645 978242016 /nfs/dbraw/zinc/24/20/16/978242016.db2.gz IHOUCQZROCCPST-KURKYZTESA-N 1 2 361.530 2.617 20 30 FFEDLO CCc1ncoc1C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001076220955 979241969 /nfs/dbraw/zinc/24/19/69/979241969.db2.gz YUCAVFAGNMGSKY-QFBILLFUSA-N 1 2 367.424 2.574 20 30 FFEDLO CCc1ncoc1C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001076220955 979241973 /nfs/dbraw/zinc/24/19/73/979241973.db2.gz YUCAVFAGNMGSKY-QFBILLFUSA-N 1 2 367.424 2.574 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C(C)C)n[nH]3)[C@@H]2C1 ZINC001076272203 979302803 /nfs/dbraw/zinc/30/28/03/979302803.db2.gz VLWGDRSZNZBJJR-SWLSCSKDSA-N 1 2 367.291 2.588 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C(C)C)n[nH]3)[C@@H]2C1 ZINC001076272203 979302810 /nfs/dbraw/zinc/30/28/10/979302810.db2.gz VLWGDRSZNZBJJR-SWLSCSKDSA-N 1 2 367.291 2.588 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccnc(C(F)(F)F)c3)[C@@H]2C1 ZINC001076425688 979482096 /nfs/dbraw/zinc/48/20/96/979482096.db2.gz FYJOUIMFBBEELO-QWHCGFSZSA-N 1 2 359.779 2.999 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc(C(F)(F)F)c3)[C@@H]2C1 ZINC001076425688 979482102 /nfs/dbraw/zinc/48/21/02/979482102.db2.gz FYJOUIMFBBEELO-QWHCGFSZSA-N 1 2 359.779 2.999 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4c(F)cccc4F)C[C@H]32)nc1 ZINC001076476142 979555917 /nfs/dbraw/zinc/55/59/17/979555917.db2.gz XZXLUCUSSKPDMU-MGPUTAFESA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4c(F)cccc4F)C[C@H]32)nc1 ZINC001076476142 979555924 /nfs/dbraw/zinc/55/59/24/979555924.db2.gz XZXLUCUSSKPDMU-MGPUTAFESA-N 1 2 367.399 2.688 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccccc3F)[C@@H]2C1 ZINC001076524941 979616080 /nfs/dbraw/zinc/61/60/80/979616080.db2.gz OFZJANNLOQAFLD-GOEBONIOSA-N 1 2 367.262 2.810 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccccc3F)[C@@H]2C1 ZINC001076524941 979616084 /nfs/dbraw/zinc/61/60/84/979616084.db2.gz OFZJANNLOQAFLD-GOEBONIOSA-N 1 2 367.262 2.810 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3nccn3CC)C[C@H]21)c1ccccc1 ZINC001076598299 979698504 /nfs/dbraw/zinc/69/85/04/979698504.db2.gz VJHXFQPVJUGDAC-XUVXKRRUSA-N 1 2 364.493 2.906 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3nccn3CC)C[C@H]21)c1ccccc1 ZINC001076598299 979698507 /nfs/dbraw/zinc/69/85/07/979698507.db2.gz VJHXFQPVJUGDAC-XUVXKRRUSA-N 1 2 364.493 2.906 20 30 FFEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)cn1 ZINC001088467291 979739982 /nfs/dbraw/zinc/73/99/82/979739982.db2.gz AYZSCIMXJLTGSF-KUHUBIRLSA-N 1 2 352.413 2.794 20 30 FFEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)cn1 ZINC001088467291 979739985 /nfs/dbraw/zinc/73/99/85/979739985.db2.gz AYZSCIMXJLTGSF-KUHUBIRLSA-N 1 2 352.413 2.794 20 30 FFEDLO Cc1ncoc1C(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)[C@@H]1C ZINC001088508646 980237483 /nfs/dbraw/zinc/23/74/83/980237483.db2.gz KOPUHMWRICEHKD-PBHICJAKSA-N 1 2 357.841 2.881 20 30 FFEDLO Cc1ncoc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H]1C ZINC001088508646 980237487 /nfs/dbraw/zinc/23/74/87/980237487.db2.gz KOPUHMWRICEHKD-PBHICJAKSA-N 1 2 357.841 2.881 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000907132686 981202488 /nfs/dbraw/zinc/20/24/88/981202488.db2.gz OIZDPWBEMJZITE-HNNXBMFYSA-N 1 2 374.485 2.549 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1ncc(CC)o1 ZINC000969027555 1014743100 /nfs/dbraw/zinc/74/31/00/1014743100.db2.gz GFZRTWWBOSVVSP-JQHSSLGASA-N 1 2 361.486 2.689 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ncc(CC)o1 ZINC000969027555 1014743109 /nfs/dbraw/zinc/74/31/09/1014743109.db2.gz GFZRTWWBOSVVSP-JQHSSLGASA-N 1 2 361.486 2.689 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088633254 982050398 /nfs/dbraw/zinc/05/03/98/982050398.db2.gz AEDGKVFMWJVLDG-MDUILUSMSA-N 1 2 359.445 2.591 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088633254 982050407 /nfs/dbraw/zinc/05/04/07/982050407.db2.gz AEDGKVFMWJVLDG-MDUILUSMSA-N 1 2 359.445 2.591 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](Cc2cnc(C)cn2)[C@@H]1C ZINC001088672401 982266402 /nfs/dbraw/zinc/26/64/02/982266402.db2.gz ZWFQOYWZEALKBU-APWZRJJASA-N 1 2 366.465 2.743 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](Cc2cnc(C)cn2)[C@@H]1C ZINC001088672401 982266407 /nfs/dbraw/zinc/26/64/07/982266407.db2.gz ZWFQOYWZEALKBU-APWZRJJASA-N 1 2 366.465 2.743 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC3C[C@H]4CC[C@@H](C3)S4)CC2)cc1 ZINC000897702165 982482149 /nfs/dbraw/zinc/48/21/49/982482149.db2.gz KAXASMFESZXTQA-YQQQUEKLSA-N 1 2 370.522 2.812 20 30 FFEDLO N#Cc1ccccc1COc1cccc(C[NH+]2CC(N3CCCC3=O)C2)c1 ZINC000897786199 982516057 /nfs/dbraw/zinc/51/60/57/982516057.db2.gz JMNZXOUDJLKERO-UHFFFAOYSA-N 1 2 361.445 2.944 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@H]2C)CC1 ZINC000989827463 982881624 /nfs/dbraw/zinc/88/16/24/982881624.db2.gz LKXSROUETPEFQP-PVAVHDDUSA-N 1 2 370.497 2.682 20 30 FFEDLO COc1ccccc1[C@H](C)N(C)C(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000151211353 984215700 /nfs/dbraw/zinc/21/57/00/984215700.db2.gz KYNHWZQCKBFELC-HNNXBMFYSA-N 1 2 355.438 2.746 20 30 FFEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@@H]3C[C@H]3c3ccccc3)nn2)C1 ZINC001107172911 984302339 /nfs/dbraw/zinc/30/23/39/984302339.db2.gz RGNORHIWFFFULU-PXNSSMCTSA-N 1 2 365.481 2.521 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2oc(C(C)C)nc2C)C[C@H]1OC ZINC001212145905 984330823 /nfs/dbraw/zinc/33/08/23/984330823.db2.gz DFLIDYHHQVOAEE-SJLPKXTDSA-N 1 2 361.486 2.615 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2oc(C(C)C)nc2C)C[C@H]1OC ZINC001212145905 984330830 /nfs/dbraw/zinc/33/08/30/984330830.db2.gz DFLIDYHHQVOAEE-SJLPKXTDSA-N 1 2 361.486 2.615 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000761036669 984680425 /nfs/dbraw/zinc/68/04/25/984680425.db2.gz JUYJIPHPQYFRST-PBHICJAKSA-N 1 2 352.438 2.574 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000761036669 984680429 /nfs/dbraw/zinc/68/04/29/984680429.db2.gz JUYJIPHPQYFRST-PBHICJAKSA-N 1 2 352.438 2.574 20 30 FFEDLO C#CCC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3cscn3)C2)CCC1 ZINC001112114584 984752579 /nfs/dbraw/zinc/75/25/79/984752579.db2.gz XHPLNAAISOFEPL-ZIAGYGMSSA-N 1 2 371.428 2.816 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ocnc2C2CC2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088856289 985036563 /nfs/dbraw/zinc/03/65/63/985036563.db2.gz GNGZAPSCISYDDD-KDOFPFPSSA-N 1 2 367.424 2.935 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ocnc2C2CC2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088856289 985036572 /nfs/dbraw/zinc/03/65/72/985036572.db2.gz GNGZAPSCISYDDD-KDOFPFPSSA-N 1 2 367.424 2.935 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncc(C)s2)[C@@H]1C ZINC001088910838 985430448 /nfs/dbraw/zinc/43/04/48/985430448.db2.gz KCPBDZPATBXIPO-CVYDXHPNSA-N 1 2 363.527 2.902 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)s2)[C@@H]1C ZINC001088910838 985430452 /nfs/dbraw/zinc/43/04/52/985430452.db2.gz KCPBDZPATBXIPO-CVYDXHPNSA-N 1 2 363.527 2.902 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncoc2C(C)C)[C@@H]1C ZINC001088914328 985438766 /nfs/dbraw/zinc/43/87/66/985438766.db2.gz WLIVYMPALMDEDF-CVYDXHPNSA-N 1 2 361.486 2.858 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncoc2C(C)C)[C@@H]1C ZINC001088914328 985438769 /nfs/dbraw/zinc/43/87/69/985438769.db2.gz WLIVYMPALMDEDF-CVYDXHPNSA-N 1 2 361.486 2.858 20 30 FFEDLO N#Cc1cnnc(-c2ccccc2)c1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212356062 985529197 /nfs/dbraw/zinc/52/91/97/985529197.db2.gz KPRXPCDOWYLSDT-UHFFFAOYSA-N 1 2 358.405 2.990 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c3cccnc32)[C@H]1C ZINC001088982773 985748461 /nfs/dbraw/zinc/74/84/61/985748461.db2.gz PVXQKTOYDSNULD-YPMHNXCESA-N 1 2 363.259 2.664 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3cccnc32)[C@H]1C ZINC001088982773 985748471 /nfs/dbraw/zinc/74/84/71/985748471.db2.gz PVXQKTOYDSNULD-YPMHNXCESA-N 1 2 363.259 2.664 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3)[C@@H]2C)cn1 ZINC001088990584 985786634 /nfs/dbraw/zinc/78/66/34/985786634.db2.gz DUZLRSFPRXTVNH-YJYMSZOUSA-N 1 2 355.388 2.734 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)[C@@H]2C)cn1 ZINC001088990584 985786643 /nfs/dbraw/zinc/78/66/43/985786643.db2.gz DUZLRSFPRXTVNH-YJYMSZOUSA-N 1 2 355.388 2.734 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(F)c3F)[C@@H]2C)cn1 ZINC001088991252 985798467 /nfs/dbraw/zinc/79/84/67/985798467.db2.gz QHSDMNJQJNYOPD-ACJLOTCBSA-N 1 2 355.388 2.734 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(F)c3F)[C@@H]2C)cn1 ZINC001088991252 985798475 /nfs/dbraw/zinc/79/84/75/985798475.db2.gz QHSDMNJQJNYOPD-ACJLOTCBSA-N 1 2 355.388 2.734 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001007358914 1015193682 /nfs/dbraw/zinc/19/36/82/1015193682.db2.gz XUEBQTMBNAYWGF-HKBOAZHASA-N 1 2 354.494 2.680 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001007358914 1015193684 /nfs/dbraw/zinc/19/36/84/1015193684.db2.gz XUEBQTMBNAYWGF-HKBOAZHASA-N 1 2 354.494 2.680 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(NC(C)=O)c(F)c2)[C@H]1C ZINC001089081058 986256708 /nfs/dbraw/zinc/25/67/08/986256708.db2.gz YXZNOOSFEODOKN-ABAIWWIYSA-N 1 2 353.825 2.729 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(NC(C)=O)c(F)c2)[C@H]1C ZINC001089081058 986256718 /nfs/dbraw/zinc/25/67/18/986256718.db2.gz YXZNOOSFEODOKN-ABAIWWIYSA-N 1 2 353.825 2.729 20 30 FFEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001108004976 986791688 /nfs/dbraw/zinc/79/16/88/986791688.db2.gz IQKMDRHCWUAQDW-CUWPLCDZSA-N 1 2 358.482 2.582 20 30 FFEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001108004976 986791704 /nfs/dbraw/zinc/79/17/04/986791704.db2.gz IQKMDRHCWUAQDW-CUWPLCDZSA-N 1 2 358.482 2.582 20 30 FFEDLO N#CCOc1cc(F)ccc1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000761665242 987693971 /nfs/dbraw/zinc/69/39/71/987693971.db2.gz QCVISCXCNPSNEX-UHFFFAOYSA-N 1 2 354.385 2.865 20 30 FFEDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000762663773 988572364 /nfs/dbraw/zinc/57/23/64/988572364.db2.gz FOJXOIYQOMUXFJ-LLVKDONJSA-N 1 2 365.355 2.960 20 30 FFEDLO C=C1CC(C)(C(=O)N(C)C2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001004217046 988706744 /nfs/dbraw/zinc/70/67/44/988706744.db2.gz JWCCYEZCBKRAHZ-BHUNQDJPSA-N 1 2 370.497 2.755 20 30 FFEDLO C=C1CC(C)(C(=O)N(C)C2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001004217046 988706753 /nfs/dbraw/zinc/70/67/53/988706753.db2.gz JWCCYEZCBKRAHZ-BHUNQDJPSA-N 1 2 370.497 2.755 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)cc1F ZINC001007975886 1015438021 /nfs/dbraw/zinc/43/80/21/1015438021.db2.gz HMDVYCWVSFZJOT-CGBFIWBNSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)cc1F ZINC001007975886 1015438024 /nfs/dbraw/zinc/43/80/24/1015438024.db2.gz HMDVYCWVSFZJOT-CGBFIWBNSA-N 1 2 371.456 2.593 20 30 FFEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC001004577828 989051644 /nfs/dbraw/zinc/05/16/44/989051644.db2.gz SNSPPYOUPGKPCW-NJYVYQBISA-N 1 2 367.493 2.991 20 30 FFEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC001004577828 989051657 /nfs/dbraw/zinc/05/16/57/989051657.db2.gz SNSPPYOUPGKPCW-NJYVYQBISA-N 1 2 367.493 2.991 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(Oc2ccc(F)cc2F)CC1)C1CC1 ZINC000193876592 989091654 /nfs/dbraw/zinc/09/16/54/989091654.db2.gz KNSONKLLFXZRMA-IBGZPJMESA-N 1 2 363.408 2.616 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008011031 1015460927 /nfs/dbraw/zinc/46/09/27/1015460927.db2.gz WVLOWWMLVVHMML-ZCNNSNEGSA-N 1 2 358.457 2.573 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008011031 1015460931 /nfs/dbraw/zinc/46/09/31/1015460931.db2.gz WVLOWWMLVVHMML-ZCNNSNEGSA-N 1 2 358.457 2.573 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC001033497360 989626925 /nfs/dbraw/zinc/62/69/25/989626925.db2.gz MHZVMBYWAXDDAU-BXWFABGCSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001033497360 989626929 /nfs/dbraw/zinc/62/69/29/989626929.db2.gz MHZVMBYWAXDDAU-BXWFABGCSA-N 1 2 364.436 2.979 20 30 FFEDLO CCN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033965420 989863080 /nfs/dbraw/zinc/86/30/80/989863080.db2.gz XEMZMASJZYDQFM-WTGUMLROSA-N 1 2 371.456 2.688 20 30 FFEDLO CCN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033965420 989863090 /nfs/dbraw/zinc/86/30/90/989863090.db2.gz XEMZMASJZYDQFM-WTGUMLROSA-N 1 2 371.456 2.688 20 30 FFEDLO CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1=O ZINC000917364407 990202309 /nfs/dbraw/zinc/20/23/09/990202309.db2.gz GALVLCIYVLFNAO-KDOFPFPSSA-N 1 2 363.462 2.536 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccccc2CC)C1 ZINC001108163591 990276784 /nfs/dbraw/zinc/27/67/84/990276784.db2.gz MOXAURPFCBUQHP-TUNNFDKTSA-N 1 2 354.494 2.583 20 30 FFEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccccc2CC)C1 ZINC001108163591 990276793 /nfs/dbraw/zinc/27/67/93/990276793.db2.gz MOXAURPFCBUQHP-TUNNFDKTSA-N 1 2 354.494 2.583 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1n1ccnn1 ZINC001129189767 990498734 /nfs/dbraw/zinc/49/87/34/990498734.db2.gz WWQRDGNFOUSELU-LZQZEXGQSA-N 1 2 371.460 2.561 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1n1ccnn1 ZINC001129189767 990498737 /nfs/dbraw/zinc/49/87/37/990498737.db2.gz WWQRDGNFOUSELU-LZQZEXGQSA-N 1 2 371.460 2.561 20 30 FFEDLO CO[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212248511 990818421 /nfs/dbraw/zinc/81/84/21/990818421.db2.gz HCCKPSNGKGIYCM-MORSLUCNSA-N 1 2 364.436 2.891 20 30 FFEDLO CO[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212248511 990818429 /nfs/dbraw/zinc/81/84/29/990818429.db2.gz HCCKPSNGKGIYCM-MORSLUCNSA-N 1 2 364.436 2.891 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000920416453 990845906 /nfs/dbraw/zinc/84/59/06/990845906.db2.gz LTMVDRHKWCIXKJ-ATZDWAIDSA-N 1 2 362.433 2.867 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000920416453 990845909 /nfs/dbraw/zinc/84/59/09/990845909.db2.gz LTMVDRHKWCIXKJ-ATZDWAIDSA-N 1 2 362.433 2.867 20 30 FFEDLO C=C(C)COCCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000135018943 991136089 /nfs/dbraw/zinc/13/60/89/991136089.db2.gz KBLORTJORJHTCH-UHFFFAOYSA-N 1 2 360.502 2.922 20 30 FFEDLO N#Cc1ccc(NCC[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC001063302747 991436255 /nfs/dbraw/zinc/43/62/55/991436255.db2.gz DSJSVVMISZNSAX-ZTFGCOKTSA-N 1 2 364.453 2.521 20 30 FFEDLO N#Cc1ccc(NCC[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC001063302747 991436261 /nfs/dbraw/zinc/43/62/61/991436261.db2.gz DSJSVVMISZNSAX-ZTFGCOKTSA-N 1 2 364.453 2.521 20 30 FFEDLO C=CCC1(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC2)CCCC1 ZINC001063590639 991517823 /nfs/dbraw/zinc/51/78/23/991517823.db2.gz SHOFADGTUVBDSH-HZPDHXFCSA-N 1 2 370.497 2.805 20 30 FFEDLO C=CCC1(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC2)CCCC1 ZINC001063590639 991517836 /nfs/dbraw/zinc/51/78/36/991517836.db2.gz SHOFADGTUVBDSH-HZPDHXFCSA-N 1 2 370.497 2.805 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2nc3ccccc3o2)C[C@H]1OC ZINC001212318717 991658098 /nfs/dbraw/zinc/65/80/98/991658098.db2.gz IGLMTDNIAFANLO-IEBWSBKVSA-N 1 2 369.465 2.912 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2nc3ccccc3o2)C[C@H]1OC ZINC001212318717 991658103 /nfs/dbraw/zinc/65/81/03/991658103.db2.gz IGLMTDNIAFANLO-IEBWSBKVSA-N 1 2 369.465 2.912 20 30 FFEDLO CCC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001212324922 991683411 /nfs/dbraw/zinc/68/34/11/991683411.db2.gz KZMHSHXIJHENLA-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001212324922 991683415 /nfs/dbraw/zinc/68/34/15/991683415.db2.gz KZMHSHXIJHENLA-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO CN(C)c1[nH+]ccc2cc(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)ccc21 ZINC000879715960 1015652550 /nfs/dbraw/zinc/65/25/50/1015652550.db2.gz VYLQFYXEVPEJMY-KRWDZBQOSA-N 1 2 364.453 2.505 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CN(c3nc(C)[nH+]c4c3CCCC4)C[C@H]21 ZINC001090350571 991738464 /nfs/dbraw/zinc/73/84/64/991738464.db2.gz LVGOTVKEBVAOBP-FXAWDEMLSA-N 1 2 366.509 2.895 20 30 FFEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccccc2Cl)C1 ZINC001079146865 991803044 /nfs/dbraw/zinc/80/30/44/991803044.db2.gz LQVKBCNEAUWONE-WOJBJXKFSA-N 1 2 368.864 2.661 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccccc2Cl)C1 ZINC001079146865 991803056 /nfs/dbraw/zinc/80/30/56/991803056.db2.gz LQVKBCNEAUWONE-WOJBJXKFSA-N 1 2 368.864 2.661 20 30 FFEDLO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2sccc2F)C1 ZINC001079134599 991821693 /nfs/dbraw/zinc/82/16/93/991821693.db2.gz HRNMYZAMTZUJHI-IAGOWNOFSA-N 1 2 360.454 2.761 20 30 FFEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2sccc2F)C1 ZINC001079134599 991821703 /nfs/dbraw/zinc/82/17/03/991821703.db2.gz HRNMYZAMTZUJHI-IAGOWNOFSA-N 1 2 360.454 2.761 20 30 FFEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001031858073 991873767 /nfs/dbraw/zinc/87/37/67/991873767.db2.gz OYILXEUQLISIBH-YSIASYRMSA-N 1 2 372.896 2.555 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2C)o1 ZINC001079527998 992164608 /nfs/dbraw/zinc/16/46/08/992164608.db2.gz OLSNJICAIIVHKF-PIGZYNQJSA-N 1 2 356.401 2.553 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2C)o1 ZINC001079527998 992164615 /nfs/dbraw/zinc/16/46/15/992164615.db2.gz OLSNJICAIIVHKF-PIGZYNQJSA-N 1 2 356.401 2.553 20 30 FFEDLO Cc1noc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)c1C ZINC001079924989 992574675 /nfs/dbraw/zinc/57/46/75/992574675.db2.gz IUNXBYHDBGQNHC-PIGZYNQJSA-N 1 2 356.401 2.553 20 30 FFEDLO Cc1noc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)c1C ZINC001079924989 992574683 /nfs/dbraw/zinc/57/46/83/992574683.db2.gz IUNXBYHDBGQNHC-PIGZYNQJSA-N 1 2 356.401 2.553 20 30 FFEDLO CC(=O)Nc1ccc2c(c1)C[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC2 ZINC000880029351 1015736867 /nfs/dbraw/zinc/73/68/67/1015736867.db2.gz WNWXPQBUROTWQJ-UHFFFAOYSA-N 1 2 368.481 2.688 20 30 FFEDLO CC(=O)Nc1ccc2c(c1)C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC2 ZINC000880029351 1015736874 /nfs/dbraw/zinc/73/68/74/1015736874.db2.gz WNWXPQBUROTWQJ-UHFFFAOYSA-N 1 2 368.481 2.688 20 30 FFEDLO CC(=O)Nc1ccc2c(c1)C[N@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000880030956 1015738887 /nfs/dbraw/zinc/73/88/87/1015738887.db2.gz ZRCSCWYDAHJBMW-OAQYLSRUSA-N 1 2 374.444 2.680 20 30 FFEDLO CC(=O)Nc1ccc2c(c1)C[N@@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000880030956 1015738891 /nfs/dbraw/zinc/73/88/91/1015738891.db2.gz ZRCSCWYDAHJBMW-OAQYLSRUSA-N 1 2 374.444 2.680 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000880090562 1015752959 /nfs/dbraw/zinc/75/29/59/1015752959.db2.gz LPAZGIPZFQHASD-LSDHHAIUSA-N 1 2 359.470 2.631 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000880090562 1015752963 /nfs/dbraw/zinc/75/29/63/1015752963.db2.gz LPAZGIPZFQHASD-LSDHHAIUSA-N 1 2 359.470 2.631 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3c(F)cccc3F)C[C@H]2C)c1 ZINC001080408863 993037037 /nfs/dbraw/zinc/03/70/37/993037037.db2.gz RMLFIMOEWNCHPC-BFUOFWGJSA-N 1 2 355.388 2.591 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3c(F)cccc3F)C[C@H]2C)c1 ZINC001080408863 993037040 /nfs/dbraw/zinc/03/70/40/993037040.db2.gz RMLFIMOEWNCHPC-BFUOFWGJSA-N 1 2 355.388 2.591 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3c2OCC3)C1 ZINC001080486315 993095126 /nfs/dbraw/zinc/09/51/26/993095126.db2.gz DELOOFYFFQNVSI-IAQYHMDHSA-N 1 2 365.271 2.580 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3c2OCC3)C1 ZINC001080486315 993095129 /nfs/dbraw/zinc/09/51/29/993095129.db2.gz DELOOFYFFQNVSI-IAQYHMDHSA-N 1 2 365.271 2.580 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cc(Cl)no1 ZINC001080823979 993398851 /nfs/dbraw/zinc/39/88/51/993398851.db2.gz RQEZEUIMGDEIHQ-IUODEOHRSA-N 1 2 361.804 2.569 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cc(Cl)no1 ZINC001080823979 993398856 /nfs/dbraw/zinc/39/88/56/993398856.db2.gz RQEZEUIMGDEIHQ-IUODEOHRSA-N 1 2 361.804 2.569 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC001080914477 993473016 /nfs/dbraw/zinc/47/30/16/993473016.db2.gz DLSZQHRGPJFTNL-MEBBXXQBSA-N 1 2 354.292 2.601 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC001080914477 993473020 /nfs/dbraw/zinc/47/30/20/993473020.db2.gz DLSZQHRGPJFTNL-MEBBXXQBSA-N 1 2 354.292 2.601 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)Cc1ccc[nH]1 ZINC001080975384 993508516 /nfs/dbraw/zinc/50/85/16/993508516.db2.gz IEFHKRMUPVUACW-DNVCBOLYSA-N 1 2 355.869 2.699 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)Cc1ccc[nH]1 ZINC001080975384 993508521 /nfs/dbraw/zinc/50/85/21/993508521.db2.gz IEFHKRMUPVUACW-DNVCBOLYSA-N 1 2 355.869 2.699 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2CCC(F)CC2)c1C#N ZINC000880241395 1015788633 /nfs/dbraw/zinc/78/86/33/1015788633.db2.gz JIBRGGFJOZPULL-UHFFFAOYSA-N 1 2 358.417 2.990 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)CC1=CCCCC1 ZINC001081444062 993848835 /nfs/dbraw/zinc/84/88/35/993848835.db2.gz SHHDKOVXXHUQHE-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)CC1=CCCCC1 ZINC001081444062 993848838 /nfs/dbraw/zinc/84/88/38/993848838.db2.gz SHHDKOVXXHUQHE-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cscc1C ZINC001081504588 993857313 /nfs/dbraw/zinc/85/73/13/993857313.db2.gz IOQBPDILYMHMJC-HZPDHXFCSA-N 1 2 361.492 2.619 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cscc1C ZINC001081504588 993857316 /nfs/dbraw/zinc/85/73/16/993857316.db2.gz IOQBPDILYMHMJC-HZPDHXFCSA-N 1 2 361.492 2.619 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001081661879 993915706 /nfs/dbraw/zinc/91/57/06/993915706.db2.gz AWVKYBPHVJDHMM-NJDAHSKKSA-N 1 2 366.505 2.824 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001081661879 993915715 /nfs/dbraw/zinc/91/57/15/993915715.db2.gz AWVKYBPHVJDHMM-NJDAHSKKSA-N 1 2 366.505 2.824 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3nsc4ccccc34)C[C@H]2OC)C1 ZINC001082111446 994193698 /nfs/dbraw/zinc/19/36/98/994193698.db2.gz ANVSKBXKQBZCNV-IAGOWNOFSA-N 1 2 371.506 2.968 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3nsc4ccccc34)C[C@H]2OC)C1 ZINC001082111446 994193700 /nfs/dbraw/zinc/19/37/00/994193700.db2.gz ANVSKBXKQBZCNV-IAGOWNOFSA-N 1 2 371.506 2.968 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H](C)C1CCCC1 ZINC001082319292 994339303 /nfs/dbraw/zinc/33/93/03/994339303.db2.gz PEJZKTHJDSMAKI-CDHQVMDDSA-N 1 2 355.482 2.700 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H](C)C1CCCC1 ZINC001082319292 994339316 /nfs/dbraw/zinc/33/93/16/994339316.db2.gz PEJZKTHJDSMAKI-CDHQVMDDSA-N 1 2 355.482 2.700 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1CCC=CCC1 ZINC001082374897 994479080 /nfs/dbraw/zinc/47/90/80/994479080.db2.gz VJVUIWSCEVSSRF-WOJBJXKFSA-N 1 2 353.466 2.620 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1CCC=CCC1 ZINC001082374897 994479086 /nfs/dbraw/zinc/47/90/86/994479086.db2.gz VJVUIWSCEVSSRF-WOJBJXKFSA-N 1 2 353.466 2.620 20 30 FFEDLO C=CCCCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001053840418 1015890017 /nfs/dbraw/zinc/89/00/17/1015890017.db2.gz HWRKDGDPKPEYIJ-CWQOZTLDSA-N 1 2 370.497 2.755 20 30 FFEDLO C=CCCCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001053840418 1015890029 /nfs/dbraw/zinc/89/00/29/1015890029.db2.gz HWRKDGDPKPEYIJ-CWQOZTLDSA-N 1 2 370.497 2.755 20 30 FFEDLO N#Cc1cccn(C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)c1=O ZINC000811780323 995241922 /nfs/dbraw/zinc/24/19/22/995241922.db2.gz NRTRRRAWATYPAP-UHFFFAOYSA-N 1 2 352.369 2.837 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C(C)(C)C)no3)C2)cc1 ZINC001082678345 995255600 /nfs/dbraw/zinc/25/56/00/995255600.db2.gz PSKICFDTOXVYDI-RHSMWYFYSA-N 1 2 366.465 2.599 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C(F)(F)F)s2)C1 ZINC001082686030 995256775 /nfs/dbraw/zinc/25/67/75/995256775.db2.gz NKJCYWWTGJCYHJ-NXEZZACHSA-N 1 2 362.421 2.706 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(CC(C)C)no3)C2)CC1 ZINC001082722662 995355757 /nfs/dbraw/zinc/35/57/57/995355757.db2.gz BRXQRNXYWMDQHW-NVXWUHKLSA-N 1 2 360.502 2.951 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000812318286 995404140 /nfs/dbraw/zinc/40/41/40/995404140.db2.gz YAADXVSNTMJWJX-HNNXBMFYSA-N 1 2 362.355 2.927 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000812318286 995404144 /nfs/dbraw/zinc/40/41/44/995404144.db2.gz YAADXVSNTMJWJX-HNNXBMFYSA-N 1 2 362.355 2.927 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CC)no2)C1)c1ccccc1 ZINC001082936929 995868955 /nfs/dbraw/zinc/86/89/55/995868955.db2.gz DMHBOQYWPHMURK-DJIMGWMZSA-N 1 2 354.454 2.538 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)CC4CCCC4)[C@H]3C2)s1 ZINC001082986520 995977180 /nfs/dbraw/zinc/97/71/80/995977180.db2.gz GPHLJJIAZIGMNZ-ZWKOTPCHSA-N 1 2 359.495 2.612 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)CC4CCCC4)[C@H]3C2)s1 ZINC001082986520 995977185 /nfs/dbraw/zinc/97/71/85/995977185.db2.gz GPHLJJIAZIGMNZ-ZWKOTPCHSA-N 1 2 359.495 2.612 20 30 FFEDLO C[C@H](c1ccccc1Cl)[N@@H+]1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC001083075178 996028812 /nfs/dbraw/zinc/02/88/12/996028812.db2.gz IOUFZBXAQCKNQS-MDASCCDHSA-N 1 2 358.869 2.726 20 30 FFEDLO C[C@H](c1ccccc1Cl)[N@H+]1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC001083075178 996028814 /nfs/dbraw/zinc/02/88/14/996028814.db2.gz IOUFZBXAQCKNQS-MDASCCDHSA-N 1 2 358.869 2.726 20 30 FFEDLO O=C(C=C1CCC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001083046429 996044456 /nfs/dbraw/zinc/04/44/56/996044456.db2.gz ZIUNUHDLAQLQDQ-VQTJNVASSA-N 1 2 370.880 2.713 20 30 FFEDLO O=C(C=C1CCC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001083046429 996044459 /nfs/dbraw/zinc/04/44/59/996044459.db2.gz ZIUNUHDLAQLQDQ-VQTJNVASSA-N 1 2 370.880 2.713 20 30 FFEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CC#Cc4ccccc4)C[C@@H]32)CC1 ZINC001083183705 996172707 /nfs/dbraw/zinc/17/27/07/996172707.db2.gz RGLAGAXAYXXGAL-FCHUYYIVSA-N 1 2 364.489 2.696 20 30 FFEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CC#Cc4ccccc4)C[C@@H]32)CC1 ZINC001083183705 996172711 /nfs/dbraw/zinc/17/27/11/996172711.db2.gz RGLAGAXAYXXGAL-FCHUYYIVSA-N 1 2 364.489 2.696 20 30 FFEDLO O=C(c1ccncc1)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084151033 996280826 /nfs/dbraw/zinc/28/08/26/996280826.db2.gz RJFJEMZTOZUHLM-UYAOXDASSA-N 1 2 365.864 2.933 20 30 FFEDLO O=C(c1ccncc1)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084151033 996280833 /nfs/dbraw/zinc/28/08/33/996280833.db2.gz RJFJEMZTOZUHLM-UYAOXDASSA-N 1 2 365.864 2.933 20 30 FFEDLO CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001084236243 996385857 /nfs/dbraw/zinc/38/58/57/996385857.db2.gz BUVHKFKLDXGRRI-JJRVBVJISA-N 1 2 361.873 2.931 20 30 FFEDLO CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001084236243 996385860 /nfs/dbraw/zinc/38/58/60/996385860.db2.gz BUVHKFKLDXGRRI-JJRVBVJISA-N 1 2 361.873 2.931 20 30 FFEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)cc4F)C[C@H]32)[nH]1 ZINC001084288189 996393849 /nfs/dbraw/zinc/39/38/49/996393849.db2.gz KFIOFNSIAPAIRY-FZKQIMNGSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)cc4F)C[C@H]32)[nH]1 ZINC001084288189 996393853 /nfs/dbraw/zinc/39/38/53/996393853.db2.gz KFIOFNSIAPAIRY-FZKQIMNGSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cncc(F)c4)[C@@H]3C2)s1 ZINC001084274501 996420550 /nfs/dbraw/zinc/42/05/50/996420550.db2.gz POUWGBAWRVFIJP-SJKOYZFVSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cncc(F)c4)[C@@H]3C2)s1 ZINC001084274501 996420554 /nfs/dbraw/zinc/42/05/54/996420554.db2.gz POUWGBAWRVFIJP-SJKOYZFVSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(Cl)s4)C[C@H]32)[nH]1 ZINC001084283398 996427880 /nfs/dbraw/zinc/42/78/80/996427880.db2.gz AEBZERXIJLNZGT-IAQYHMDHSA-N 1 2 360.870 2.948 20 30 FFEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(Cl)s4)C[C@H]32)[nH]1 ZINC001084283398 996427883 /nfs/dbraw/zinc/42/78/83/996427883.db2.gz AEBZERXIJLNZGT-IAQYHMDHSA-N 1 2 360.870 2.948 20 30 FFEDLO O=C(C#CC1CC1)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084333481 996463249 /nfs/dbraw/zinc/46/32/49/996463249.db2.gz VEZAWXYMLOKIMD-UYAOXDASSA-N 1 2 352.865 2.638 20 30 FFEDLO O=C(C#CC1CC1)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084333481 996463251 /nfs/dbraw/zinc/46/32/51/996463251.db2.gz VEZAWXYMLOKIMD-UYAOXDASSA-N 1 2 352.865 2.638 20 30 FFEDLO CCc1ccnc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)c1 ZINC001084366164 996491087 /nfs/dbraw/zinc/49/10/87/996491087.db2.gz CJEOPRXUZYKBEV-IFMALSPDSA-N 1 2 359.473 2.842 20 30 FFEDLO CCc1ccnc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)c1 ZINC001084366164 996491091 /nfs/dbraw/zinc/49/10/91/996491091.db2.gz CJEOPRXUZYKBEV-IFMALSPDSA-N 1 2 359.473 2.842 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)c4cc(F)c[nH]4)[C@@H]3C2)c1 ZINC001084528419 996663008 /nfs/dbraw/zinc/66/30/08/996663008.db2.gz TYLDMAWZIFCOPB-FZKQIMNGSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(F)c[nH]4)[C@@H]3C2)c1 ZINC001084528419 996663010 /nfs/dbraw/zinc/66/30/10/996663010.db2.gz TYLDMAWZIFCOPB-FZKQIMNGSA-N 1 2 356.376 2.511 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](OC)c3cccc(OC)c3)[C@@H]2C1 ZINC001084547892 996667400 /nfs/dbraw/zinc/66/74/00/996667400.db2.gz RWJGRIBNFIORQK-KBAYOESNSA-N 1 2 364.873 2.668 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](OC)c3cccc(OC)c3)[C@@H]2C1 ZINC001084547892 996667403 /nfs/dbraw/zinc/66/74/03/996667403.db2.gz RWJGRIBNFIORQK-KBAYOESNSA-N 1 2 364.873 2.668 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3N(C)C(C)=O)[C@@H]2C1 ZINC001084561459 996688679 /nfs/dbraw/zinc/68/86/79/996688679.db2.gz FOJXBRMJMXAJDM-CRAIPNDOSA-N 1 2 361.873 2.568 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3N(C)C(C)=O)[C@@H]2C1 ZINC001084561459 996688681 /nfs/dbraw/zinc/68/86/81/996688681.db2.gz FOJXBRMJMXAJDM-CRAIPNDOSA-N 1 2 361.873 2.568 20 30 FFEDLO CCc1nocc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084641015 996753728 /nfs/dbraw/zinc/75/37/28/996753728.db2.gz WPUIFOGIVXXIHE-OXQOHEQNSA-N 1 2 367.424 2.574 20 30 FFEDLO CCc1nocc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084641015 996753734 /nfs/dbraw/zinc/75/37/34/996753734.db2.gz WPUIFOGIVXXIHE-OXQOHEQNSA-N 1 2 367.424 2.574 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC45CCC5)[C@@H]3C2)c1 ZINC001084689395 996916855 /nfs/dbraw/zinc/91/68/55/996916855.db2.gz DPWIGWIWPPMAAX-SZVBFZGTSA-N 1 2 353.441 2.920 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC45CCC5)[C@@H]3C2)c1 ZINC001084689395 996916867 /nfs/dbraw/zinc/91/68/67/996916867.db2.gz DPWIGWIWPPMAAX-SZVBFZGTSA-N 1 2 353.441 2.920 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C)OCC ZINC001090778232 997003623 /nfs/dbraw/zinc/00/36/23/997003623.db2.gz QXASYYPWBBKAIX-FSPWUOQZSA-N 1 2 360.502 2.714 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000824867877 997114252 /nfs/dbraw/zinc/11/42/52/997114252.db2.gz YKUZICNNCCBVFU-UHFFFAOYSA-N 1 2 352.438 2.768 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C[C@H]32)cn1 ZINC001084783898 997331520 /nfs/dbraw/zinc/33/15/20/997331520.db2.gz PYSZJFNIRDNMFZ-OXQOHEQNSA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C[C@H]32)cn1 ZINC001084783898 997331529 /nfs/dbraw/zinc/33/15/29/997331529.db2.gz PYSZJFNIRDNMFZ-OXQOHEQNSA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C[C@H]32)nc1 ZINC001084783600 997354587 /nfs/dbraw/zinc/35/45/87/997354587.db2.gz ZVWFWKXRCCFHGO-OXQOHEQNSA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C[C@H]32)nc1 ZINC001084783600 997354596 /nfs/dbraw/zinc/35/45/96/997354596.db2.gz ZVWFWKXRCCFHGO-OXQOHEQNSA-N 1 2 367.399 2.688 20 30 FFEDLO COc1ccsc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084789057 997368410 /nfs/dbraw/zinc/36/84/10/997368410.db2.gz POLIAKCPFPUAOX-IAGOWNOFSA-N 1 2 367.474 2.975 20 30 FFEDLO COc1ccsc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084789057 997368421 /nfs/dbraw/zinc/36/84/21/997368421.db2.gz POLIAKCPFPUAOX-IAGOWNOFSA-N 1 2 367.474 2.975 20 30 FFEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)c3ncc(C)o3)C[C@H]21 ZINC001084798157 997405755 /nfs/dbraw/zinc/40/57/55/997405755.db2.gz CIJTYZGRIBZLGA-NSISKUIASA-N 1 2 363.461 2.801 20 30 FFEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CC[N@H+]([C@H](C)c3ncc(C)o3)C[C@H]21 ZINC001084798157 997405767 /nfs/dbraw/zinc/40/57/67/997405767.db2.gz CIJTYZGRIBZLGA-NSISKUIASA-N 1 2 363.461 2.801 20 30 FFEDLO C#CC[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000844000925 997597273 /nfs/dbraw/zinc/59/72/73/997597273.db2.gz KCHJNPQKNQADFI-ZWKOTPCHSA-N 1 2 357.473 2.598 20 30 FFEDLO O=C(Cc1ccc[nH]1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001084843842 997628573 /nfs/dbraw/zinc/62/85/73/997628573.db2.gz VFTHYCNJPQDHRV-YLJYHZDGSA-N 1 2 367.880 2.795 20 30 FFEDLO O=C(Cc1ccc[nH]1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001084843842 997628578 /nfs/dbraw/zinc/62/85/78/997628578.db2.gz VFTHYCNJPQDHRV-YLJYHZDGSA-N 1 2 367.880 2.795 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1 ZINC000731054726 997652560 /nfs/dbraw/zinc/65/25/60/997652560.db2.gz LOPBPQSCHPXZQZ-KRWDZBQOSA-N 1 2 363.417 2.556 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1 ZINC000731054726 997652566 /nfs/dbraw/zinc/65/25/66/997652566.db2.gz LOPBPQSCHPXZQZ-KRWDZBQOSA-N 1 2 363.417 2.556 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3csc(-c4ccco4)n3)[C@H]2C1 ZINC001084904921 998001129 /nfs/dbraw/zinc/00/11/29/998001129.db2.gz KATMEWGUSMDUPO-FMKPAKJESA-N 1 2 370.478 2.986 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@@H+](Cc3csc(-c4ccco4)n3)[C@H]2C1 ZINC001084904921 998001141 /nfs/dbraw/zinc/00/11/41/998001141.db2.gz KATMEWGUSMDUPO-FMKPAKJESA-N 1 2 370.478 2.986 20 30 FFEDLO CCN(Cc1ccc(C#N)cn1)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001144169352 998107683 /nfs/dbraw/zinc/10/76/83/998107683.db2.gz GUAIWFZOMIMFCO-OAQYLSRUSA-N 1 2 350.466 2.676 20 30 FFEDLO CCN(Cc1ccc(C#N)cn1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001144169352 998107691 /nfs/dbraw/zinc/10/76/91/998107691.db2.gz GUAIWFZOMIMFCO-OAQYLSRUSA-N 1 2 350.466 2.676 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001056798904 1016193205 /nfs/dbraw/zinc/19/32/05/1016193205.db2.gz DGCPVLAFJPUBMS-RYRKJORJSA-N 1 2 356.470 2.656 20 30 FFEDLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000845281695 998464309 /nfs/dbraw/zinc/46/43/09/998464309.db2.gz RIYAALHSDRUCNL-NWDGAFQWSA-N 1 2 372.450 2.826 20 30 FFEDLO C[C@H](CC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)n1cc[nH+]c1 ZINC000845281694 998464736 /nfs/dbraw/zinc/46/47/36/998464736.db2.gz RIYAALHSDRUCNL-NEPJUHHUSA-N 1 2 372.450 2.826 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](OC)C3CCC3)C[C@@H]21 ZINC001085000195 998614707 /nfs/dbraw/zinc/61/47/07/998614707.db2.gz VCTWHPSUXWAKPL-KBMXLJTQSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](OC)C3CCC3)C[C@@H]21 ZINC001085000195 998614709 /nfs/dbraw/zinc/61/47/09/998614709.db2.gz VCTWHPSUXWAKPL-KBMXLJTQSA-N 1 2 371.319 2.633 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(CC(C)C)no3)[C@H]2C1 ZINC001085006210 998659309 /nfs/dbraw/zinc/65/93/09/998659309.db2.gz FAJCEDZNYJPTPC-CVEARBPZSA-N 1 2 360.502 2.903 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(CC(C)C)no3)[C@H]2C1 ZINC001085006210 998659311 /nfs/dbraw/zinc/65/93/11/998659311.db2.gz FAJCEDZNYJPTPC-CVEARBPZSA-N 1 2 360.502 2.903 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nc(C(C)C)no4)[C@H]3C2)C1 ZINC001085026935 998711892 /nfs/dbraw/zinc/71/18/92/998711892.db2.gz CNPBABIWTKSLKB-CVEARBPZSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4nc(C(C)C)no4)[C@H]3C2)C1 ZINC001085026935 998711895 /nfs/dbraw/zinc/71/18/95/998711895.db2.gz CNPBABIWTKSLKB-CVEARBPZSA-N 1 2 358.486 2.972 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccco3)C[C@@H]21 ZINC001085060362 998804976 /nfs/dbraw/zinc/80/49/76/998804976.db2.gz VZHGVTPZILZTBG-QRWLVFNGSA-N 1 2 367.424 2.956 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3ccco3)C[C@@H]21 ZINC001085060362 998804978 /nfs/dbraw/zinc/80/49/78/998804978.db2.gz VZHGVTPZILZTBG-QRWLVFNGSA-N 1 2 367.424 2.956 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1coc(C)n1 ZINC001049776982 1016258786 /nfs/dbraw/zinc/25/87/86/1016258786.db2.gz FVWHEQAIJYTVRD-VJANTYMQSA-N 1 2 359.470 2.530 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1coc(C)n1 ZINC001049776982 1016258796 /nfs/dbraw/zinc/25/87/96/1016258796.db2.gz FVWHEQAIJYTVRD-VJANTYMQSA-N 1 2 359.470 2.530 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(CCC)n1 ZINC001085224990 999194316 /nfs/dbraw/zinc/19/43/16/999194316.db2.gz DBHGCMFWLJPASG-HZPDHXFCSA-N 1 2 371.485 2.840 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)NCCCCNc1cccc[nH+]1 ZINC000734215932 999234831 /nfs/dbraw/zinc/23/48/31/999234831.db2.gz FXOKESWKLQZUME-UHFFFAOYSA-N 1 2 352.438 2.785 20 30 FFEDLO C#Cc1cccc(N(C)C(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000735470950 999434519 /nfs/dbraw/zinc/43/45/19/999434519.db2.gz UQXVSECCMCJCEL-QGZVFWFLSA-N 1 2 365.452 2.981 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066277278 999577084 /nfs/dbraw/zinc/57/70/84/999577084.db2.gz CRTNYZGHGVTFLF-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066277278 999577086 /nfs/dbraw/zinc/57/70/86/999577086.db2.gz CRTNYZGHGVTFLF-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1nc(C)c(C)s1 ZINC001085600222 999586430 /nfs/dbraw/zinc/58/64/30/999586430.db2.gz NBNDCIVGAHDCJZ-BBWFWOEESA-N 1 2 363.527 2.774 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1nc(C)c(C)s1 ZINC001085600222 999586434 /nfs/dbraw/zinc/58/64/34/999586434.db2.gz NBNDCIVGAHDCJZ-BBWFWOEESA-N 1 2 363.527 2.774 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C2CC2)no1 ZINC001085870304 999664006 /nfs/dbraw/zinc/66/40/06/999664006.db2.gz PUVUMFBMZNMTIZ-AYBZRNKSSA-N 1 2 359.470 2.566 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C2CC2)no1 ZINC001085870304 999664008 /nfs/dbraw/zinc/66/40/08/999664008.db2.gz PUVUMFBMZNMTIZ-AYBZRNKSSA-N 1 2 359.470 2.566 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085869581 999666550 /nfs/dbraw/zinc/66/65/50/999666550.db2.gz UYSMKAFOWAZOHZ-HBFSDRIKSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085869581 999666552 /nfs/dbraw/zinc/66/65/52/999666552.db2.gz UYSMKAFOWAZOHZ-HBFSDRIKSA-N 1 2 371.456 2.711 20 30 FFEDLO C=CCN(CC=C)C(=O)COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741353695 999723551 /nfs/dbraw/zinc/72/35/51/999723551.db2.gz QWRHWXAOBMBGDJ-LJQANCHMSA-N 1 2 356.466 2.785 20 30 FFEDLO C=CCN(CC=C)C(=O)COC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741353695 999723554 /nfs/dbraw/zinc/72/35/54/999723554.db2.gz QWRHWXAOBMBGDJ-LJQANCHMSA-N 1 2 356.466 2.785 20 30 FFEDLO C#CCOc1cc(F)ccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741639567 999734509 /nfs/dbraw/zinc/73/45/09/999734509.db2.gz DHWGBMREYGODHW-HXUWFJFHSA-N 1 2 368.408 2.677 20 30 FFEDLO C#CCOc1cc(F)ccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741639567 999734511 /nfs/dbraw/zinc/73/45/11/999734511.db2.gz DHWGBMREYGODHW-HXUWFJFHSA-N 1 2 368.408 2.677 20 30 FFEDLO Cc1cc(C(N)=[NH+]OCC(=O)NC2(c3ccccc3)CCC2)ccc1F ZINC000742354402 999769332 /nfs/dbraw/zinc/76/93/32/999769332.db2.gz MEEMJARDZKVXDT-UHFFFAOYSA-N 1 2 355.413 2.967 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CCC1 ZINC001066506916 999868743 /nfs/dbraw/zinc/86/87/43/999868743.db2.gz MVSICYWHGKPEMU-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CCC1 ZINC001066506916 999868745 /nfs/dbraw/zinc/86/87/45/999868745.db2.gz MVSICYWHGKPEMU-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)COC(=O)[C@H]2CCCC[N@H+]2C)c1C ZINC000745081440 999893881 /nfs/dbraw/zinc/89/38/81/999893881.db2.gz ZCIWVBCHAGBJLX-GOSISDBHSA-N 1 2 357.454 2.578 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)COC(=O)[C@H]2CCCC[N@@H+]2C)c1C ZINC000745081440 999893883 /nfs/dbraw/zinc/89/38/83/999893883.db2.gz ZCIWVBCHAGBJLX-GOSISDBHSA-N 1 2 357.454 2.578 20 30 FFEDLO C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1OC ZINC000804335423 1000071876 /nfs/dbraw/zinc/07/18/76/1000071876.db2.gz YYPCKSMXHJULHS-MEMKZHQFSA-N 1 2 353.422 2.601 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2CCOC3(CCC3)C2)CC1=O ZINC000767676285 1000136144 /nfs/dbraw/zinc/13/61/44/1000136144.db2.gz AMROMSAXUZURKV-AWEZNQCLSA-N 1 2 366.465 2.748 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nsc2ccccc12 ZINC001109214071 1000188731 /nfs/dbraw/zinc/18/87/31/1000188731.db2.gz XCQAKMIVISOYBU-JJUQKUTHSA-N 1 2 371.506 2.845 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nsc2ccccc12 ZINC001109214071 1000188735 /nfs/dbraw/zinc/18/87/35/1000188735.db2.gz XCQAKMIVISOYBU-JJUQKUTHSA-N 1 2 371.506 2.845 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109259891 1000204958 /nfs/dbraw/zinc/20/49/58/1000204958.db2.gz XYSAEEAPBRRMDJ-QYZOEREBSA-N 1 2 365.477 2.838 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109259891 1000204961 /nfs/dbraw/zinc/20/49/61/1000204961.db2.gz XYSAEEAPBRRMDJ-QYZOEREBSA-N 1 2 365.477 2.838 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3C[C@H]3CC)c2)C1 ZINC001091405739 1000438318 /nfs/dbraw/zinc/43/83/18/1000438318.db2.gz IJLLBYMOTJZSQI-ZTFGCOKTSA-N 1 2 363.889 2.950 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3C[C@H]3CC)c2)C1 ZINC001091405739 1000438321 /nfs/dbraw/zinc/43/83/21/1000438321.db2.gz IJLLBYMOTJZSQI-ZTFGCOKTSA-N 1 2 363.889 2.950 20 30 FFEDLO CCOC(=O)C=Cc1ccc(NC(=[NH2+])c2ccc(C(N)=O)cc2)c(F)c1 ZINC001171259177 1000498491 /nfs/dbraw/zinc/49/84/91/1000498491.db2.gz XTWGATGVWJIRCZ-ONNFQVAWSA-N 1 2 355.369 2.538 20 30 FFEDLO Cn1ncc2c1nc(N[NH+]=Cc1ccccc1N1CCCCC1)[nH]c2=O ZINC000769808828 1000609063 /nfs/dbraw/zinc/60/90/63/1000609063.db2.gz OXHPJXKHKJYYKG-UHFFFAOYSA-N 1 2 351.414 2.505 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(OC)ccn1 ZINC001109563437 1000647593 /nfs/dbraw/zinc/64/75/93/1000647593.db2.gz UXBIYABQZHMLMJ-BOFXEDATSA-N 1 2 373.497 2.541 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(OC)ccn1 ZINC001109563437 1000647595 /nfs/dbraw/zinc/64/75/95/1000647595.db2.gz UXBIYABQZHMLMJ-BOFXEDATSA-N 1 2 373.497 2.541 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091564563 1000687521 /nfs/dbraw/zinc/68/75/21/1000687521.db2.gz IMOUUSQHXWGZFV-YYFZDKIDSA-N 1 2 358.486 2.686 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1noc2c1CCCC2 ZINC001109627195 1000740133 /nfs/dbraw/zinc/74/01/33/1000740133.db2.gz DWBQKUNXIOPMEL-AYBZRNKSSA-N 1 2 355.482 2.969 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1noc2c1CCCC2 ZINC001109627195 1000740138 /nfs/dbraw/zinc/74/01/38/1000740138.db2.gz DWBQKUNXIOPMEL-AYBZRNKSSA-N 1 2 355.482 2.969 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091607369 1000793602 /nfs/dbraw/zinc/79/36/02/1000793602.db2.gz PNFZQLHFWRSGQP-UONOGXRCSA-N 1 2 356.474 2.662 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCC(C)CC1 ZINC001109658795 1000798950 /nfs/dbraw/zinc/79/89/50/1000798950.db2.gz FNTVBQGRIQEDAB-GXZRBYELSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCC(C)CC1 ZINC001109658795 1000798958 /nfs/dbraw/zinc/79/89/58/1000798958.db2.gz FNTVBQGRIQEDAB-GXZRBYELSA-N 1 2 361.530 2.759 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1)C(C)C ZINC001109675686 1000816428 /nfs/dbraw/zinc/81/64/28/1000816428.db2.gz DEPIKVHSSOZODE-BVBHFADKSA-N 1 2 359.445 2.590 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1)C(C)C ZINC001109675686 1000816434 /nfs/dbraw/zinc/81/64/34/1000816434.db2.gz DEPIKVHSSOZODE-BVBHFADKSA-N 1 2 359.445 2.590 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001109691815 1000863405 /nfs/dbraw/zinc/86/34/05/1000863405.db2.gz AGKVNFFESBUOTJ-ANULTFPQSA-N 1 2 372.484 2.960 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001109691815 1000863410 /nfs/dbraw/zinc/86/34/10/1000863410.db2.gz AGKVNFFESBUOTJ-ANULTFPQSA-N 1 2 372.484 2.960 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109691835 1000863586 /nfs/dbraw/zinc/86/35/86/1000863586.db2.gz ARWFPQVRTPBJOP-GTAWCEEGSA-N 1 2 373.472 2.980 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109691835 1000863594 /nfs/dbraw/zinc/86/35/94/1000863594.db2.gz ARWFPQVRTPBJOP-GTAWCEEGSA-N 1 2 373.472 2.980 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@H]2CC[C@@H](Nc3ncnc4c3C[N@H+](C)CC4)C2)C1 ZINC001091636042 1000905012 /nfs/dbraw/zinc/90/50/12/1000905012.db2.gz LPXPWULTMVWTDK-JKSUJKDBSA-N 1 2 369.513 2.518 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@H]2CC[C@@H](Nc3ncnc4c3C[N@@H+](C)CC4)C2)C1 ZINC001091636042 1000905021 /nfs/dbraw/zinc/90/50/21/1000905021.db2.gz LPXPWULTMVWTDK-JKSUJKDBSA-N 1 2 369.513 2.518 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)c1ccco1 ZINC001109767853 1000974412 /nfs/dbraw/zinc/97/44/12/1000974412.db2.gz NZFRWGCUVYHVBM-YVSFHVDLSA-N 1 2 373.497 2.781 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)c1ccco1 ZINC001109767853 1000974419 /nfs/dbraw/zinc/97/44/19/1000974419.db2.gz NZFRWGCUVYHVBM-YVSFHVDLSA-N 1 2 373.497 2.781 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(=O)C1CCCCC1)C2 ZINC001109838615 1001057502 /nfs/dbraw/zinc/05/75/02/1001057502.db2.gz NNLPHSFAICTMEO-IKGGRYGDSA-N 1 2 367.921 2.547 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(=O)C1CCCCC1)C2 ZINC001109838615 1001057507 /nfs/dbraw/zinc/05/75/07/1001057507.db2.gz NNLPHSFAICTMEO-IKGGRYGDSA-N 1 2 367.921 2.547 20 30 FFEDLO COCCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109916575 1001143355 /nfs/dbraw/zinc/14/33/55/1001143355.db2.gz YCUMNVJBGISBFI-QYZOEREBSA-N 1 2 355.482 2.842 20 30 FFEDLO COCCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109916575 1001143358 /nfs/dbraw/zinc/14/33/58/1001143358.db2.gz YCUMNVJBGISBFI-QYZOEREBSA-N 1 2 355.482 2.842 20 30 FFEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]NCCc1ccncc1 ZINC000789084594 1001959947 /nfs/dbraw/zinc/95/99/47/1001959947.db2.gz ASEQNXVQAHGAJB-UHFFFAOYSA-N 1 2 370.416 2.522 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccnc(Br)c1 ZINC001276213362 1016553422 /nfs/dbraw/zinc/55/34/22/1016553422.db2.gz RMQGNEZTEGOYFI-HUUCEWRRSA-N 1 2 364.287 2.986 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccnc(Br)c1 ZINC001276213362 1016553434 /nfs/dbraw/zinc/55/34/34/1016553434.db2.gz RMQGNEZTEGOYFI-HUUCEWRRSA-N 1 2 364.287 2.986 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CCN(c4nc(C)[nH+]c(C)c4C)C[C@H]3C2)CCC1 ZINC001091863986 1002019275 /nfs/dbraw/zinc/01/92/75/1002019275.db2.gz HKWKIHRYFHUCGW-MOPGFXCFSA-N 1 2 366.509 2.880 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CCCC1)C2 ZINC001110329882 1002194624 /nfs/dbraw/zinc/19/46/24/1002194624.db2.gz ATKPFYYODXIPJE-RLLQIKCJSA-N 1 2 353.466 2.739 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CCCC1)C2 ZINC001110329882 1002194629 /nfs/dbraw/zinc/19/46/29/1002194629.db2.gz ATKPFYYODXIPJE-RLLQIKCJSA-N 1 2 353.466 2.739 20 30 FFEDLO N#Cc1ccccc1C1(C(=O)N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)CC1 ZINC001183292386 1002224478 /nfs/dbraw/zinc/22/44/78/1002224478.db2.gz BUNNTEHDAPNYIL-KRWDZBQOSA-N 1 2 359.420 2.922 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC001086582289 1002271899 /nfs/dbraw/zinc/27/18/99/1002271899.db2.gz ITFXCESOSDVZLT-ZWKOTPCHSA-N 1 2 358.873 2.597 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC001086582289 1002271910 /nfs/dbraw/zinc/27/19/10/1002271910.db2.gz ITFXCESOSDVZLT-ZWKOTPCHSA-N 1 2 358.873 2.597 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cc(C)[nH]n2)C1 ZINC001086582289 1002271915 /nfs/dbraw/zinc/27/19/15/1002271915.db2.gz ITFXCESOSDVZLT-ZWKOTPCHSA-N 1 2 358.873 2.597 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cc(C)[nH]n2)C1 ZINC001086582289 1002271923 /nfs/dbraw/zinc/27/19/23/1002271923.db2.gz ITFXCESOSDVZLT-ZWKOTPCHSA-N 1 2 358.873 2.597 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)[C@@H]2C)CCC1 ZINC001092023878 1002302965 /nfs/dbraw/zinc/30/29/65/1002302965.db2.gz VKMLZTJITZGTQW-WBVHZDCISA-N 1 2 352.482 2.939 20 30 FFEDLO CC(C)C[C@@H](C(=O)N[C@H]1CCN(c2ncccc2C#N)[C@@H]1C)n1cc[nH+]c1 ZINC001092024110 1002303690 /nfs/dbraw/zinc/30/36/90/1002303690.db2.gz GBXDREZVVHTSMW-NJAFHUGGSA-N 1 2 366.469 2.521 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](CCO)C1 ZINC001183831082 1002403221 /nfs/dbraw/zinc/40/32/21/1002403221.db2.gz LJVBKMZJKCPQTH-PXNSSMCTSA-N 1 2 355.482 2.534 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](CCO)C1 ZINC001183831082 1002403226 /nfs/dbraw/zinc/40/32/26/1002403226.db2.gz LJVBKMZJKCPQTH-PXNSSMCTSA-N 1 2 355.482 2.534 20 30 FFEDLO COC(=O)CCCCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183838174 1002405380 /nfs/dbraw/zinc/40/53/80/1002405380.db2.gz BBVODKWUKZDKSR-IBGZPJMESA-N 1 2 371.481 2.762 20 30 FFEDLO COC(=O)CCCCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183838174 1002405386 /nfs/dbraw/zinc/40/53/86/1002405386.db2.gz BBVODKWUKZDKSR-IBGZPJMESA-N 1 2 371.481 2.762 20 30 FFEDLO COC1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CC1 ZINC001183839251 1002407144 /nfs/dbraw/zinc/40/71/44/1002407144.db2.gz UKQJTGFHFCKKAA-SOAGJPPSSA-N 1 2 355.482 2.987 20 30 FFEDLO COC1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)CC1 ZINC001183839251 1002407147 /nfs/dbraw/zinc/40/71/47/1002407147.db2.gz UKQJTGFHFCKKAA-SOAGJPPSSA-N 1 2 355.482 2.987 20 30 FFEDLO C=CC[C@@]1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCCN1C(=O)OC(C)(C)C ZINC000790928696 1002512451 /nfs/dbraw/zinc/51/24/51/1002512451.db2.gz JQAGOZSWSLZKLJ-YWZLYKJASA-N 1 2 374.485 2.660 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+](C/C(Cl)=C\Cl)C[C@@]3(C)C2)nc1 ZINC001092211907 1002561873 /nfs/dbraw/zinc/56/18/73/1002561873.db2.gz TYZCWNHLMKHDPB-NIDSHBGKSA-N 1 2 364.276 2.776 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](C/C(Cl)=C\Cl)C[C@@]3(C)C2)nc1 ZINC001092211907 1002561885 /nfs/dbraw/zinc/56/18/85/1002561885.db2.gz TYZCWNHLMKHDPB-NIDSHBGKSA-N 1 2 364.276 2.776 20 30 FFEDLO CC[C@@H](C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ncccc2C#N)C1 ZINC001092313347 1002661127 /nfs/dbraw/zinc/66/11/27/1002661127.db2.gz GOLDUXTXPCMATQ-DJIMGWMZSA-N 1 2 366.469 2.529 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cccc(F)n2)C1 ZINC001092315374 1002666245 /nfs/dbraw/zinc/66/62/45/1002666245.db2.gz BFCZAABLOFMDCN-BZUAXINKSA-N 1 2 371.460 2.963 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccnc(F)c2)C3)c1 ZINC001096871373 1016659394 /nfs/dbraw/zinc/65/93/94/1016659394.db2.gz HFEVYMAEXIFXLZ-NXHRZFHOSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccnc(F)c2)C3)c1 ZINC001096871373 1016659407 /nfs/dbraw/zinc/65/94/07/1016659407.db2.gz HFEVYMAEXIFXLZ-NXHRZFHOSA-N 1 2 368.387 2.767 20 30 FFEDLO Cc1ccc(S(=O)(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(C#N)c1 ZINC001185012122 1002777046 /nfs/dbraw/zinc/77/70/46/1002777046.db2.gz WGYOSSYHTAWHSB-UHFFFAOYSA-N 1 2 366.446 2.590 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cscn2)C3)ccc1F ZINC001096880278 1016672093 /nfs/dbraw/zinc/67/20/93/1016672093.db2.gz USHOVKVMGTWOCM-UNEWFSDZSA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cscn2)C3)ccc1F ZINC001096880278 1016672101 /nfs/dbraw/zinc/67/21/01/1016672101.db2.gz USHOVKVMGTWOCM-UNEWFSDZSA-N 1 2 356.426 2.689 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001095537720 1016684058 /nfs/dbraw/zinc/68/40/58/1016684058.db2.gz GAQLYPGULXHRNV-PMPSAXMXSA-N 1 2 356.495 2.974 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001095537720 1016684067 /nfs/dbraw/zinc/68/40/67/1016684067.db2.gz GAQLYPGULXHRNV-PMPSAXMXSA-N 1 2 356.495 2.974 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110359079 1002876681 /nfs/dbraw/zinc/87/66/81/1002876681.db2.gz ANGRLVNFVXTRTQ-HSGBFHSBSA-N 1 2 371.456 2.734 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110359079 1002876697 /nfs/dbraw/zinc/87/66/97/1002876697.db2.gz ANGRLVNFVXTRTQ-HSGBFHSBSA-N 1 2 371.456 2.734 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)Cn2c3ccc(F)cc3nc2C2CCC2)CC1 ZINC001185297273 1002903745 /nfs/dbraw/zinc/90/37/45/1002903745.db2.gz OLYPJXWLZGVEML-UHFFFAOYSA-N 1 2 356.445 2.773 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cccc(C)c1C ZINC001110371501 1003099334 /nfs/dbraw/zinc/09/93/34/1003099334.db2.gz PHIQORITBUHNIC-QRQLOZEOSA-N 1 2 355.482 2.930 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cccc(C)c1C ZINC001110371501 1003099348 /nfs/dbraw/zinc/09/93/48/1003099348.db2.gz PHIQORITBUHNIC-QRQLOZEOSA-N 1 2 355.482 2.930 20 30 FFEDLO CCOC(=O)C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)OCC ZINC001170359417 1003124796 /nfs/dbraw/zinc/12/47/96/1003124796.db2.gz WUGUALMYOPGTMM-IDYZSHNDSA-N 1 2 372.465 2.865 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H]3CCN(C(=O)CCCCC)[C@@H]3C2)c1 ZINC001186873203 1003448804 /nfs/dbraw/zinc/44/88/04/1003448804.db2.gz WMGVFUWABMJQCO-AZUAARDMSA-N 1 2 367.493 2.719 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)CCCCC)[C@@H]3C2)c1 ZINC001186873203 1003448816 /nfs/dbraw/zinc/44/88/16/1003448816.db2.gz WMGVFUWABMJQCO-AZUAARDMSA-N 1 2 367.493 2.719 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)[C@H]1CCCCO1 ZINC001096964720 1016779198 /nfs/dbraw/zinc/77/91/98/1016779198.db2.gz YIVWZGKGGLAWGR-YSTOQKLRSA-N 1 2 372.896 2.982 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)[C@H]1CCCCO1 ZINC001096964720 1016779217 /nfs/dbraw/zinc/77/92/17/1016779217.db2.gz YIVWZGKGGLAWGR-YSTOQKLRSA-N 1 2 372.896 2.982 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2cncs2)C3)c1 ZINC001095575455 1016781697 /nfs/dbraw/zinc/78/16/97/1016781697.db2.gz YARMDOWSBYFUMN-JLSDUUJJSA-N 1 2 370.453 2.618 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2cncs2)C3)c1 ZINC001095575455 1016781710 /nfs/dbraw/zinc/78/17/10/1016781710.db2.gz YARMDOWSBYFUMN-JLSDUUJJSA-N 1 2 370.453 2.618 20 30 FFEDLO N#Cc1cccc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC001187024201 1003518929 /nfs/dbraw/zinc/51/89/29/1003518929.db2.gz CXKKGLBVEKICEP-RBUKOAKNSA-N 1 2 364.405 2.556 20 30 FFEDLO N#Cc1cccc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC001187024201 1003518932 /nfs/dbraw/zinc/51/89/32/1003518932.db2.gz CXKKGLBVEKICEP-RBUKOAKNSA-N 1 2 364.405 2.556 20 30 FFEDLO N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc3ccccc3o2)c[nH]1 ZINC001096972434 1016789787 /nfs/dbraw/zinc/78/97/87/1016789787.db2.gz NZTWRZWECASIDK-OIISXLGYSA-N 1 2 361.405 2.563 20 30 FFEDLO N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc3ccccc3o2)c[nH]1 ZINC001096972434 1016789797 /nfs/dbraw/zinc/78/97/97/1016789797.db2.gz NZTWRZWECASIDK-OIISXLGYSA-N 1 2 361.405 2.563 20 30 FFEDLO C=C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(C)nc1)c1ccccc1 ZINC001110137061 1003610148 /nfs/dbraw/zinc/61/01/48/1003610148.db2.gz ZDEDCSLLWYFAIU-CGXNFDGLSA-N 1 2 362.477 2.976 20 30 FFEDLO C=C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(C)nc1)c1ccccc1 ZINC001110137061 1003610152 /nfs/dbraw/zinc/61/01/52/1003610152.db2.gz ZDEDCSLLWYFAIU-CGXNFDGLSA-N 1 2 362.477 2.976 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C(C)C)n1 ZINC001092852751 1003670256 /nfs/dbraw/zinc/67/02/56/1003670256.db2.gz VKXYGUFNWXMQTH-NCOADZHNSA-N 1 2 358.486 2.725 20 30 FFEDLO C#C[C@@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CCCO1 ZINC000775688026 1003682318 /nfs/dbraw/zinc/68/23/18/1003682318.db2.gz KRWDJZQBICNVNQ-IEBWSBKVSA-N 1 2 362.433 2.904 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@H]1O ZINC001192524988 1004196502 /nfs/dbraw/zinc/19/65/02/1004196502.db2.gz OPZUGEDHLZIIFR-JCURWCKSSA-N 1 2 352.837 2.505 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@H]1O ZINC001192524988 1004196507 /nfs/dbraw/zinc/19/65/07/1004196507.db2.gz OPZUGEDHLZIIFR-JCURWCKSSA-N 1 2 352.837 2.505 20 30 FFEDLO N#CC1(NC(=O)c2ccc(O)c(F)c2F)CC[NH+](Cc2ccccc2)CC1 ZINC001192842802 1004300874 /nfs/dbraw/zinc/30/08/74/1004300874.db2.gz MBYLKWUYVLOUGF-UHFFFAOYSA-N 1 2 371.387 2.959 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CC2)CCCCC1 ZINC001111441470 1016868058 /nfs/dbraw/zinc/86/80/58/1016868058.db2.gz OMCOZLFQUBJNGL-KURKYZTESA-N 1 2 359.514 2.513 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CC2)CCCCC1 ZINC001111441470 1016868077 /nfs/dbraw/zinc/86/80/77/1016868077.db2.gz OMCOZLFQUBJNGL-KURKYZTESA-N 1 2 359.514 2.513 20 30 FFEDLO COc1ccc2c(c1)C[C@@H](C[N@@H+]1CCO[C@H](c3cccc(C#N)c3)C1)O2 ZINC001192975559 1004345935 /nfs/dbraw/zinc/34/59/35/1004345935.db2.gz FWRYPBVFAPJLRC-FPOVZHCZSA-N 1 2 350.418 2.944 20 30 FFEDLO COc1ccc2c(c1)C[C@@H](C[N@H+]1CCO[C@H](c3cccc(C#N)c3)C1)O2 ZINC001192975559 1004345941 /nfs/dbraw/zinc/34/59/41/1004345941.db2.gz FWRYPBVFAPJLRC-FPOVZHCZSA-N 1 2 350.418 2.944 20 30 FFEDLO CC[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O)C(C)(C)C ZINC001197744398 1004349919 /nfs/dbraw/zinc/34/99/19/1004349919.db2.gz ULYWTDNMMIBYBJ-IPMKNSEASA-N 1 2 357.498 2.682 20 30 FFEDLO CC[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O)C(C)(C)C ZINC001197744398 1004349923 /nfs/dbraw/zinc/34/99/23/1004349923.db2.gz ULYWTDNMMIBYBJ-IPMKNSEASA-N 1 2 357.498 2.682 20 30 FFEDLO C[C@@H](CCC(C)(C)C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001197812004 1004354689 /nfs/dbraw/zinc/35/46/89/1004354689.db2.gz DXVGGSYPFIUMKO-DFQSSKMNSA-N 1 2 356.510 2.662 20 30 FFEDLO C[C@@H](CCC(C)(C)C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001197812004 1004354698 /nfs/dbraw/zinc/35/46/98/1004354698.db2.gz DXVGGSYPFIUMKO-DFQSSKMNSA-N 1 2 356.510 2.662 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1nc2ccccc2c(C)c1C(=O)OCC)[C@H]1CCCO1 ZINC000775794985 1004404134 /nfs/dbraw/zinc/40/41/34/1004404134.db2.gz ULZJDZPDWRMAOM-VQIMIIECSA-N 1 2 352.434 2.990 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc3ccccc3o2)C[C@H]1O ZINC001193231458 1004411912 /nfs/dbraw/zinc/41/19/12/1004411912.db2.gz CWGDOQYQNRZYMH-ZTFGCOKTSA-N 1 2 369.465 2.819 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc3ccccc3o2)C[C@H]1O ZINC001193231458 1004411915 /nfs/dbraw/zinc/41/19/15/1004411915.db2.gz CWGDOQYQNRZYMH-ZTFGCOKTSA-N 1 2 369.465 2.819 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ccc2F)C[C@H]1O ZINC001193312863 1004461689 /nfs/dbraw/zinc/46/16/89/1004461689.db2.gz PGMOMLLYJRAEKL-HZPDHXFCSA-N 1 2 354.853 2.574 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ccc2F)C[C@H]1O ZINC001193312863 1004461693 /nfs/dbraw/zinc/46/16/93/1004461693.db2.gz PGMOMLLYJRAEKL-HZPDHXFCSA-N 1 2 354.853 2.574 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001194077564 1004647054 /nfs/dbraw/zinc/64/70/54/1004647054.db2.gz QDICRGRUZONQIM-GOSISDBHSA-N 1 2 366.446 2.783 20 30 FFEDLO CCCCCCCCOC(=O)N[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001194753411 1004799906 /nfs/dbraw/zinc/79/99/06/1004799906.db2.gz KRSYSIULOIHUCZ-INIZCTEOSA-N 1 2 353.463 2.981 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110531746 1004919863 /nfs/dbraw/zinc/91/98/63/1004919863.db2.gz MFODBHXUDRWXEQ-AITUJVMLSA-N 1 2 367.493 2.785 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110531746 1004919869 /nfs/dbraw/zinc/91/98/69/1004919869.db2.gz MFODBHXUDRWXEQ-AITUJVMLSA-N 1 2 367.493 2.785 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@H]1O ZINC001195333342 1004950376 /nfs/dbraw/zinc/95/03/76/1004950376.db2.gz GIBXURAAXXVTHC-IUIKQTSFSA-N 1 2 354.853 2.914 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@H]1O ZINC001195333342 1004950380 /nfs/dbraw/zinc/95/03/80/1004950380.db2.gz GIBXURAAXXVTHC-IUIKQTSFSA-N 1 2 354.853 2.914 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1O ZINC001195484034 1004975075 /nfs/dbraw/zinc/97/50/75/1004975075.db2.gz PGJJYFOBRJIEPN-IAGOWNOFSA-N 1 2 368.399 2.560 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1O ZINC001195484034 1004975080 /nfs/dbraw/zinc/97/50/80/1004975080.db2.gz PGJJYFOBRJIEPN-IAGOWNOFSA-N 1 2 368.399 2.560 20 30 FFEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nsc2ccccc21 ZINC001110540205 1005004644 /nfs/dbraw/zinc/00/46/44/1005004644.db2.gz IBEQYVIANUWGGO-KYJSFNMBSA-N 1 2 351.475 2.931 20 30 FFEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nsc2ccccc21 ZINC001110540205 1005004651 /nfs/dbraw/zinc/00/46/51/1005004651.db2.gz IBEQYVIANUWGGO-KYJSFNMBSA-N 1 2 351.475 2.931 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1)C(C)C ZINC001110547153 1005080493 /nfs/dbraw/zinc/08/04/93/1005080493.db2.gz CPEGUZAUBKCILF-RSPOEFSDSA-N 1 2 373.472 2.980 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1)C(C)C ZINC001110547153 1005080498 /nfs/dbraw/zinc/08/04/98/1005080498.db2.gz CPEGUZAUBKCILF-RSPOEFSDSA-N 1 2 373.472 2.980 20 30 FFEDLO C=CCC1(C(=O)N(C)[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)CCC1 ZINC001487680051 1005090919 /nfs/dbraw/zinc/09/09/19/1005090919.db2.gz PPUJOVOZBMJOBA-JFIYKMOQSA-N 1 2 370.497 2.613 20 30 FFEDLO C=CCC1(C(=O)N(C)[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)CCC1 ZINC001487680051 1005090926 /nfs/dbraw/zinc/09/09/26/1005090926.db2.gz PPUJOVOZBMJOBA-JFIYKMOQSA-N 1 2 370.497 2.613 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@]12CCC[C@@H]1N(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001488231441 1005132454 /nfs/dbraw/zinc/13/24/54/1005132454.db2.gz UTGZUAKFSUOHAK-ODEMNLNRSA-N 1 2 370.497 2.755 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@]12CCC[C@@H]1N(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001488231441 1005132459 /nfs/dbraw/zinc/13/24/59/1005132459.db2.gz UTGZUAKFSUOHAK-ODEMNLNRSA-N 1 2 370.497 2.755 20 30 FFEDLO CCCc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001095668057 1016953979 /nfs/dbraw/zinc/95/39/79/1016953979.db2.gz JZSXKYUSFTZLBK-QMMLZNLJSA-N 1 2 362.477 2.749 20 30 FFEDLO CCCc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001095668057 1016953991 /nfs/dbraw/zinc/95/39/91/1016953991.db2.gz JZSXKYUSFTZLBK-QMMLZNLJSA-N 1 2 362.477 2.749 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCC1 ZINC001110594265 1005391193 /nfs/dbraw/zinc/39/11/93/1005391193.db2.gz MWNTXNAWNGRKNS-QRVBRYPASA-N 1 2 359.514 2.535 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCC1 ZINC001110594265 1005391194 /nfs/dbraw/zinc/39/11/94/1005391194.db2.gz MWNTXNAWNGRKNS-QRVBRYPASA-N 1 2 359.514 2.535 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1CC[N@H+](Cc2nc3ccccc3n2C)[C@@H]1C ZINC001489254719 1005439766 /nfs/dbraw/zinc/43/97/66/1005439766.db2.gz AVFRXONDMZCULX-SJORKVTESA-N 1 2 370.497 2.635 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc3ccccc3n2C)[C@@H]1C ZINC001489254719 1005439768 /nfs/dbraw/zinc/43/97/68/1005439768.db2.gz AVFRXONDMZCULX-SJORKVTESA-N 1 2 370.497 2.635 20 30 FFEDLO C=C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(C)n(C)n2)[C@@H]1C)c1ccccc1 ZINC001489311703 1005464769 /nfs/dbraw/zinc/46/47/69/1005464769.db2.gz JCUXIOMNCBZMEX-UXPWSPDFSA-N 1 2 352.482 2.777 20 30 FFEDLO C=C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)n(C)n2)[C@@H]1C)c1ccccc1 ZINC001489311703 1005464772 /nfs/dbraw/zinc/46/47/72/1005464772.db2.gz JCUXIOMNCBZMEX-UXPWSPDFSA-N 1 2 352.482 2.777 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001110603496 1005508866 /nfs/dbraw/zinc/50/88/66/1005508866.db2.gz GTHSJQCLNMPGOX-KURKYZTESA-N 1 2 373.541 2.615 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001110603496 1005508867 /nfs/dbraw/zinc/50/88/67/1005508867.db2.gz GTHSJQCLNMPGOX-KURKYZTESA-N 1 2 373.541 2.615 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001490095771 1005658992 /nfs/dbraw/zinc/65/89/92/1005658992.db2.gz XPOAICXOGFMENB-RYRKJORJSA-N 1 2 368.481 2.964 20 30 FFEDLO N#CCOc1ccc(CC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000110246879 1005918786 /nfs/dbraw/zinc/91/87/86/1005918786.db2.gz KGKMPKGGNYXPKG-UHFFFAOYSA-N 1 2 365.433 2.602 20 30 FFEDLO CSC[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187335914 1006019016 /nfs/dbraw/zinc/01/90/16/1006019016.db2.gz YCXNWRKSBOSJQP-DHSIGJKJSA-N 1 2 361.486 2.729 20 30 FFEDLO CSC[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187335914 1006019026 /nfs/dbraw/zinc/01/90/26/1006019026.db2.gz YCXNWRKSBOSJQP-DHSIGJKJSA-N 1 2 361.486 2.729 20 30 FFEDLO C#CCC[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852504863 1006059738 /nfs/dbraw/zinc/05/97/38/1006059738.db2.gz NUZDIBCOEZOGHH-ZFWWWQNUSA-N 1 2 372.362 2.694 20 30 FFEDLO C#CCC[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852504863 1006059750 /nfs/dbraw/zinc/05/97/50/1006059750.db2.gz NUZDIBCOEZOGHH-ZFWWWQNUSA-N 1 2 372.362 2.694 20 30 FFEDLO C#C[C@@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCOCC1 ZINC000852640432 1006118917 /nfs/dbraw/zinc/11/89/17/1006118917.db2.gz YVXYZOLTXBPPKT-IEBWSBKVSA-N 1 2 370.497 2.537 20 30 FFEDLO C#C[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C1CCOCC1 ZINC000852642051 1006119841 /nfs/dbraw/zinc/11/98/41/1006119841.db2.gz HQHOELXFMQJWNO-IBGZPJMESA-N 1 2 358.486 2.513 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)ccc1C ZINC001170744639 1006270020 /nfs/dbraw/zinc/27/00/20/1006270020.db2.gz IHOZXMPZXSSUSA-UHFFFAOYSA-N 1 2 370.478 2.740 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2C(C)(C)C2(F)F)CC1=O ZINC000853000645 1006270832 /nfs/dbraw/zinc/27/08/32/1006270832.db2.gz OGLBNFDAILDODH-AWEZNQCLSA-N 1 2 360.408 2.937 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nnc(CC(C)C)o3)C[C@H]21 ZINC001187849157 1006272783 /nfs/dbraw/zinc/27/27/83/1006272783.db2.gz LBOPENIILYOVKR-YESZJQIVSA-N 1 2 358.486 2.521 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3nnc(CC(C)C)o3)C[C@H]21 ZINC001187849157 1006272793 /nfs/dbraw/zinc/27/27/93/1006272793.db2.gz LBOPENIILYOVKR-YESZJQIVSA-N 1 2 358.486 2.521 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nc(CC)no3)C[C@H]21 ZINC001188034027 1006391256 /nfs/dbraw/zinc/39/12/56/1006391256.db2.gz WQWIEGMLNVRDGH-HYVNUMGLSA-N 1 2 358.486 2.994 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nc(CC)no3)C[C@H]21 ZINC001188034027 1006391270 /nfs/dbraw/zinc/39/12/70/1006391270.db2.gz WQWIEGMLNVRDGH-HYVNUMGLSA-N 1 2 358.486 2.994 20 30 FFEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000814663053 1006398674 /nfs/dbraw/zinc/39/86/74/1006398674.db2.gz FAEQDEYCRSLKBE-HNNXBMFYSA-N 1 2 357.454 2.941 20 30 FFEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000814663053 1006398682 /nfs/dbraw/zinc/39/86/82/1006398682.db2.gz FAEQDEYCRSLKBE-HNNXBMFYSA-N 1 2 357.454 2.941 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3OC)C[C@H]21 ZINC001188080299 1006400370 /nfs/dbraw/zinc/40/03/70/1006400370.db2.gz AUYFIVNDGJMJSO-FUHWJXTLSA-N 1 2 371.481 2.523 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccccc3OC)C[C@H]21 ZINC001188080299 1006400371 /nfs/dbraw/zinc/40/03/71/1006400371.db2.gz AUYFIVNDGJMJSO-FUHWJXTLSA-N 1 2 371.481 2.523 20 30 FFEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000131007081 1006652383 /nfs/dbraw/zinc/65/23/83/1006652383.db2.gz GWEGVZRNLCNFOG-UHFFFAOYSA-N 1 2 372.476 2.901 20 30 FFEDLO CCC[C@@H](OC)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001188768930 1006726055 /nfs/dbraw/zinc/72/60/55/1006726055.db2.gz XGQXHTIQAUKWCI-KFKAGJAMSA-N 1 2 359.445 2.545 20 30 FFEDLO CCC[C@@H](OC)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001188768930 1006726063 /nfs/dbraw/zinc/72/60/63/1006726063.db2.gz XGQXHTIQAUKWCI-KFKAGJAMSA-N 1 2 359.445 2.545 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3csnc3OC)C[C@H]21 ZINC001188812917 1006746603 /nfs/dbraw/zinc/74/66/03/1006746603.db2.gz KAOXJTRMYBHDNO-DOTOQJQBSA-N 1 2 361.511 2.768 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3csnc3OC)C[C@H]21 ZINC001188812917 1006746610 /nfs/dbraw/zinc/74/66/10/1006746610.db2.gz KAOXJTRMYBHDNO-DOTOQJQBSA-N 1 2 361.511 2.768 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nc(C(C)C)no3)C[C@H]21 ZINC001188866850 1006756742 /nfs/dbraw/zinc/75/67/42/1006756742.db2.gz QXNBUVXRDSPDSI-IXDOHACOSA-N 1 2 358.486 2.980 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nc(C(C)C)no3)C[C@H]21 ZINC001188866850 1006756756 /nfs/dbraw/zinc/75/67/56/1006756756.db2.gz QXNBUVXRDSPDSI-IXDOHACOSA-N 1 2 358.486 2.980 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(-c2ccc(F)cc2)o1 ZINC001110403548 1006770824 /nfs/dbraw/zinc/77/08/24/1006770824.db2.gz TZYGPEQTWOZKRW-YYQUZTFQSA-N 1 2 368.412 2.862 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(-c2ccc(F)cc2)o1 ZINC001110403548 1006770836 /nfs/dbraw/zinc/77/08/36/1006770836.db2.gz TZYGPEQTWOZKRW-YYQUZTFQSA-N 1 2 368.412 2.862 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001188897679 1006792853 /nfs/dbraw/zinc/79/28/53/1006792853.db2.gz VTWMWOUVIPZNAR-FUHIMQAGSA-N 1 2 356.514 2.854 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001188897679 1006792866 /nfs/dbraw/zinc/79/28/66/1006792866.db2.gz VTWMWOUVIPZNAR-FUHIMQAGSA-N 1 2 356.514 2.854 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1oc(C)cc1C)C2 ZINC001110428296 1007662531 /nfs/dbraw/zinc/66/25/31/1007662531.db2.gz GYBBHNJEHSZIPP-KURKYZTESA-N 1 2 373.497 2.656 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1oc(C)cc1C)C2 ZINC001110428296 1007662537 /nfs/dbraw/zinc/66/25/37/1007662537.db2.gz GYBBHNJEHSZIPP-KURKYZTESA-N 1 2 373.497 2.656 20 30 FFEDLO C=CCC1(S(=O)(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CC1 ZINC001190836199 1007802877 /nfs/dbraw/zinc/80/28/77/1007802877.db2.gz KUHISJJOIUZTQQ-UHFFFAOYSA-N 1 2 370.465 2.957 20 30 FFEDLO C=CCC1(S(=O)(=O)NC2CC[NH+](Cc3cccc(F)c3F)CC2)CC1 ZINC001190836583 1007803069 /nfs/dbraw/zinc/80/30/69/1007803069.db2.gz UZIMGBNFKPGFTE-UHFFFAOYSA-N 1 2 370.465 2.957 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000819538447 1008166470 /nfs/dbraw/zinc/16/64/70/1008166470.db2.gz UFQUGFRVQQTJDC-MRXNPFEDSA-N 1 2 365.518 2.742 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1)C1CC1 ZINC000858013658 1008277348 /nfs/dbraw/zinc/27/73/48/1008277348.db2.gz JRULNLGQNWOUQD-NQIIRXRSSA-N 1 2 368.481 2.611 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1)C1CC1 ZINC000858013658 1008277352 /nfs/dbraw/zinc/27/73/52/1008277352.db2.gz JRULNLGQNWOUQD-NQIIRXRSSA-N 1 2 368.481 2.611 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001206479289 1032304898 /nfs/dbraw/zinc/30/48/98/1032304898.db2.gz MYHZHJGKCOQLAQ-IJEWVQPXSA-N 1 2 351.878 2.653 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001206479289 1032304914 /nfs/dbraw/zinc/30/49/14/1032304914.db2.gz MYHZHJGKCOQLAQ-IJEWVQPXSA-N 1 2 351.878 2.653 20 30 FFEDLO N#Cc1ccc(C(=O)COC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001206492047 1032311907 /nfs/dbraw/zinc/31/19/07/1032311907.db2.gz QVHXXMBDKPYOLT-FQEVSTJZSA-N 1 2 350.418 2.659 20 30 FFEDLO N#Cc1ccc(C(=O)COC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001206492047 1032311920 /nfs/dbraw/zinc/31/19/20/1032311920.db2.gz QVHXXMBDKPYOLT-FQEVSTJZSA-N 1 2 350.418 2.659 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000859022327 1008466237 /nfs/dbraw/zinc/46/62/37/1008466237.db2.gz MWPGNZKNIWOTPE-LJQANCHMSA-N 1 2 372.513 2.758 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccccc1Cl)C[C@H](O)COc1ccccc1C#N ZINC000859070225 1008471369 /nfs/dbraw/zinc/47/13/69/1008471369.db2.gz PHNSKAXISJUFAJ-HNNXBMFYSA-N 1 2 373.840 2.522 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccccc1Cl)C[C@H](O)COc1ccccc1C#N ZINC000859070225 1008471374 /nfs/dbraw/zinc/47/13/74/1008471374.db2.gz PHNSKAXISJUFAJ-HNNXBMFYSA-N 1 2 373.840 2.522 20 30 FFEDLO CCOCC[NH+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)CC1 ZINC000859323833 1008501897 /nfs/dbraw/zinc/50/18/97/1008501897.db2.gz DPEQARUWXPCLKZ-UHFFFAOYSA-N 1 2 355.482 2.551 20 30 FFEDLO CC1(/C=C/C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOCC1 ZINC000822218711 1008549372 /nfs/dbraw/zinc/54/93/72/1008549372.db2.gz YXEQGBGDPNMPIG-VOTSOKGWSA-N 1 2 353.466 2.575 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)CCC1 ZINC000886205893 1008600260 /nfs/dbraw/zinc/60/02/60/1008600260.db2.gz BVUULXYADYHNPA-OWCLPIDISA-N 1 2 360.458 2.893 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)CCC1 ZINC000886205893 1008600266 /nfs/dbraw/zinc/60/02/66/1008600266.db2.gz BVUULXYADYHNPA-OWCLPIDISA-N 1 2 360.458 2.893 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(F)cn2)C3)cc1F ZINC001095341729 1008755506 /nfs/dbraw/zinc/75/55/06/1008755506.db2.gz PSCNABQEXWXZFS-MNEFBYGVSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(F)cn2)C3)cc1F ZINC001095341729 1008755513 /nfs/dbraw/zinc/75/55/13/1008755513.db2.gz PSCNABQEXWXZFS-MNEFBYGVSA-N 1 2 368.387 2.767 20 30 FFEDLO C[C@H](C[N@H+](C)CC(=O)N(CCC#N)c1ccccc1)NC(=O)OC(C)(C)C ZINC000860098729 1008832936 /nfs/dbraw/zinc/83/29/36/1008832936.db2.gz ZXJGKBGYSOVEFN-MRXNPFEDSA-N 1 2 374.485 2.778 20 30 FFEDLO C[C@H](C[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1)NC(=O)OC(C)(C)C ZINC000860098729 1008832940 /nfs/dbraw/zinc/83/29/40/1008832940.db2.gz ZXJGKBGYSOVEFN-MRXNPFEDSA-N 1 2 374.485 2.778 20 30 FFEDLO Cc1nc(N[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cccc(F)c2)cc[nH+]1 ZINC001090643724 1008849720 /nfs/dbraw/zinc/84/97/20/1008849720.db2.gz PYPKLRMMKRODPF-RBUKOAKNSA-N 1 2 366.440 2.990 20 30 FFEDLO Cc1nc(C(F)(F)F)c(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)s1 ZINC001206659765 1032376445 /nfs/dbraw/zinc/37/64/45/1032376445.db2.gz QJRIOJVGFMCUPV-IQJOONFLSA-N 1 2 360.405 2.567 20 30 FFEDLO Cc1nc(C(F)(F)F)c(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)s1 ZINC001206659765 1032376451 /nfs/dbraw/zinc/37/64/51/1032376451.db2.gz QJRIOJVGFMCUPV-IQJOONFLSA-N 1 2 360.405 2.567 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1[nH]c(=S)[nH]c(=O)c1N=Cc1ccccc1 ZINC001178690436 1009085026 /nfs/dbraw/zinc/08/50/26/1009085026.db2.gz AHDDCGDIQKWDCT-OTGIAGGSSA-N 1 2 371.466 2.644 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1[nH]c(=S)[nH]c(=O)c1N=Cc1ccccc1 ZINC001178690436 1009085042 /nfs/dbraw/zinc/08/50/42/1009085042.db2.gz AHDDCGDIQKWDCT-OTGIAGGSSA-N 1 2 371.466 2.644 20 30 FFEDLO N#Cc1ccc(F)c(F)c1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001178993352 1009219401 /nfs/dbraw/zinc/21/94/01/1009219401.db2.gz JHABWFCOLHIABB-INIZCTEOSA-N 1 2 357.360 2.676 20 30 FFEDLO N#Cc1ccc(F)c(F)c1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001178993352 1009219411 /nfs/dbraw/zinc/21/94/11/1009219411.db2.gz JHABWFCOLHIABB-INIZCTEOSA-N 1 2 357.360 2.676 20 30 FFEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1)n1cccc1 ZINC001095316616 1009269698 /nfs/dbraw/zinc/26/96/98/1009269698.db2.gz REPLNVZCNVGPLR-JBCDFXQESA-N 1 2 366.440 2.982 20 30 FFEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1)n1cccc1 ZINC001095316616 1009269709 /nfs/dbraw/zinc/26/97/09/1009269709.db2.gz REPLNVZCNVGPLR-JBCDFXQESA-N 1 2 366.440 2.982 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)CCOCC1 ZINC000826590347 1009691710 /nfs/dbraw/zinc/69/17/10/1009691710.db2.gz QUNPMLGZRDCLBA-FQEVSTJZSA-N 1 2 372.509 2.685 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)CCOCC1 ZINC000826590347 1009691714 /nfs/dbraw/zinc/69/17/14/1009691714.db2.gz QUNPMLGZRDCLBA-FQEVSTJZSA-N 1 2 372.509 2.685 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](Cc2ccncc2F)Cc2nnn(CC3CC3)c21 ZINC001206784505 1032422741 /nfs/dbraw/zinc/42/27/41/1032422741.db2.gz KAUGRILCZOSGFF-INIZCTEOSA-N 1 2 357.433 2.524 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](Cc2ccncc2F)Cc2nnn(CC3CC3)c21 ZINC001206784505 1032422751 /nfs/dbraw/zinc/42/27/51/1032422751.db2.gz KAUGRILCZOSGFF-INIZCTEOSA-N 1 2 357.433 2.524 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](Cc2ccncc2F)Cc2nnn(CC3CC3)c21 ZINC001206784507 1032423550 /nfs/dbraw/zinc/42/35/50/1032423550.db2.gz KAUGRILCZOSGFF-MRXNPFEDSA-N 1 2 357.433 2.524 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](Cc2ccncc2F)Cc2nnn(CC3CC3)c21 ZINC001206784507 1032423552 /nfs/dbraw/zinc/42/35/52/1032423552.db2.gz KAUGRILCZOSGFF-MRXNPFEDSA-N 1 2 357.433 2.524 20 30 FFEDLO N#Cc1cc(CC(=O)N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)ccc1F ZINC001181182617 1010007305 /nfs/dbraw/zinc/00/73/05/1010007305.db2.gz OAYHVMCGKUKLBZ-INIZCTEOSA-N 1 2 351.372 2.572 20 30 FFEDLO CO[C@H](C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206895918 1032486216 /nfs/dbraw/zinc/48/62/16/1032486216.db2.gz OWZHIFWFPHVWOY-GPMSIDNRSA-N 1 2 362.901 2.943 20 30 FFEDLO CO[C@H](C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206895918 1032486224 /nfs/dbraw/zinc/48/62/24/1032486224.db2.gz OWZHIFWFPHVWOY-GPMSIDNRSA-N 1 2 362.901 2.943 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2F)C[C@H]1C ZINC001206914461 1032495402 /nfs/dbraw/zinc/49/54/02/1032495402.db2.gz GHIBKMYZRGABBB-NJAPINKUSA-N 1 2 354.853 2.743 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2F)C[C@H]1C ZINC001206914461 1032495405 /nfs/dbraw/zinc/49/54/05/1032495405.db2.gz GHIBKMYZRGABBB-NJAPINKUSA-N 1 2 354.853 2.743 20 30 FFEDLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)c1 ZINC001206939597 1032513004 /nfs/dbraw/zinc/51/30/04/1032513004.db2.gz MNVMKRWZPQIGPE-WSTZPKSXSA-N 1 2 369.509 2.726 20 30 FFEDLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)c1 ZINC001206939597 1032513009 /nfs/dbraw/zinc/51/30/09/1032513009.db2.gz MNVMKRWZPQIGPE-WSTZPKSXSA-N 1 2 369.509 2.726 20 30 FFEDLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)c(C)c1 ZINC001206939443 1032513224 /nfs/dbraw/zinc/51/32/24/1032513224.db2.gz FMMKOARJPOUTLA-QWFCFKBJSA-N 1 2 369.509 2.726 20 30 FFEDLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)c(C)c1 ZINC001206939443 1032513229 /nfs/dbraw/zinc/51/32/29/1032513229.db2.gz FMMKOARJPOUTLA-QWFCFKBJSA-N 1 2 369.509 2.726 20 30 FFEDLO C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cccc(C#N)c1O ZINC000866339744 1010980326 /nfs/dbraw/zinc/98/03/26/1010980326.db2.gz NIAOUWLSMQISKT-AWEZNQCLSA-N 1 2 371.462 2.655 20 30 FFEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[C@@H](c4ccccc4)C3)nn2)C1 ZINC001094299401 1011015764 /nfs/dbraw/zinc/01/57/64/1011015764.db2.gz BHVIEUOLZUUFRK-QZTJIDSGSA-N 1 2 365.481 2.521 20 30 FFEDLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)c1C ZINC000868182018 1011191659 /nfs/dbraw/zinc/19/16/59/1011191659.db2.gz NQUVUPLREKRGKI-QGZVFWFLSA-N 1 2 350.422 2.545 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[C@H]4C[C@H]4C2)C3)c1 ZINC001095895007 1011512962 /nfs/dbraw/zinc/51/29/62/1011512962.db2.gz UZAPTZXDWPLTGJ-WCJJETLUSA-N 1 2 353.441 2.965 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[C@H]4C[C@H]4C2)C3)c1 ZINC001095895007 1011512972 /nfs/dbraw/zinc/51/29/72/1011512972.db2.gz UZAPTZXDWPLTGJ-WCJJETLUSA-N 1 2 353.441 2.965 20 30 FFEDLO N#CCc1ccccc1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000777277037 1011526235 /nfs/dbraw/zinc/52/62/35/1011526235.db2.gz XXYSJWRRQIXKFB-UHFFFAOYSA-N 1 2 358.445 2.511 20 30 FFEDLO CCCCCCC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001274928370 1011753544 /nfs/dbraw/zinc/75/35/44/1011753544.db2.gz FOVJKCPVXWAQBU-OKZBNKHCSA-N 1 2 351.535 2.746 20 30 FFEDLO CCCCCCC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001274928370 1011753553 /nfs/dbraw/zinc/75/35/53/1011753553.db2.gz FOVJKCPVXWAQBU-OKZBNKHCSA-N 1 2 351.535 2.746 20 30 FFEDLO C[NH+]1CCN(c2cccc(-c3noc(-c4ccc(C#N)cc4O)n3)c2)CC1 ZINC001217038900 1032594638 /nfs/dbraw/zinc/59/46/38/1032594638.db2.gz KSCBMFBUEGPYOZ-UHFFFAOYSA-N 1 2 361.405 2.733 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@@H+]2[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)n1 ZINC001172988236 1012156650 /nfs/dbraw/zinc/15/66/50/1012156650.db2.gz ACHTYJOBVXWVAD-ILXRZTDVSA-N 1 2 361.446 2.807 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@H+]2[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)n1 ZINC001172988236 1012156659 /nfs/dbraw/zinc/15/66/59/1012156659.db2.gz ACHTYJOBVXWVAD-ILXRZTDVSA-N 1 2 361.446 2.807 20 30 FFEDLO COc1cccc([C@H]2CN(C(=O)[C@H](C#N)CCc3ccccc3)CC[NH2+]2)c1 ZINC000870151651 1012209547 /nfs/dbraw/zinc/20/95/47/1012209547.db2.gz GDZVHZGRNOJOID-PZJWPPBQSA-N 1 2 363.461 2.941 20 30 FFEDLO N#Cc1ccc(NCCCCCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cn1 ZINC001095004937 1012231919 /nfs/dbraw/zinc/23/19/19/1012231919.db2.gz BCDBYEIYDFURFX-IAGOWNOFSA-N 1 2 352.442 2.569 20 30 FFEDLO N#Cc1ccc(NCCCCCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cn1 ZINC001095004937 1012231936 /nfs/dbraw/zinc/23/19/36/1012231936.db2.gz BCDBYEIYDFURFX-IAGOWNOFSA-N 1 2 352.442 2.569 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(OC)c(Cl)cc1F ZINC001275423707 1012445517 /nfs/dbraw/zinc/44/55/17/1012445517.db2.gz QBVDFLNKCVTFKX-HZPDHXFCSA-N 1 2 350.821 2.686 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(OC)c(Cl)cc1F ZINC001275423707 1012445521 /nfs/dbraw/zinc/44/55/21/1012445521.db2.gz QBVDFLNKCVTFKX-HZPDHXFCSA-N 1 2 350.821 2.686 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCc1c(Cl)ncnc1Cl ZINC001275532096 1012583572 /nfs/dbraw/zinc/58/35/72/1012583572.db2.gz GXWIHKDOPNKXEU-KRWDZBQOSA-N 1 2 369.296 2.969 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCc1c(Cl)ncnc1Cl ZINC001275532096 1012583586 /nfs/dbraw/zinc/58/35/86/1012583586.db2.gz GXWIHKDOPNKXEU-KRWDZBQOSA-N 1 2 369.296 2.969 20 30 FFEDLO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@H+](Cc4cscn4)C3)C2)n1 ZINC001137592297 1032658418 /nfs/dbraw/zinc/65/84/18/1032658418.db2.gz IGJNKKWKWWGINZ-LJQANCHMSA-N 1 2 369.494 2.529 20 30 FFEDLO N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4cscn4)C3)C2)n1 ZINC001137592297 1032658423 /nfs/dbraw/zinc/65/84/23/1032658423.db2.gz IGJNKKWKWWGINZ-LJQANCHMSA-N 1 2 369.494 2.529 20 30 FFEDLO C=CCN1C(=O)COCC12C[NH+](Cc1ccc(OCCCCC)cc1)C2 ZINC001275675505 1012835086 /nfs/dbraw/zinc/83/50/86/1012835086.db2.gz JXIQRYXOCPCQSN-UHFFFAOYSA-N 1 2 358.482 2.855 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@@H+](Cc3cccc4c3ccn4CC)C[C@@]2(F)C1=O ZINC001275705102 1012883708 /nfs/dbraw/zinc/88/37/08/1012883708.db2.gz FTQMTWAMRBJYGC-VQTJNVASSA-N 1 2 359.420 2.922 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@H+](Cc3cccc4c3ccn4CC)C[C@@]2(F)C1=O ZINC001275705102 1012883720 /nfs/dbraw/zinc/88/37/20/1012883720.db2.gz FTQMTWAMRBJYGC-VQTJNVASSA-N 1 2 359.420 2.922 20 30 FFEDLO Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)c1 ZINC001095265953 1013016968 /nfs/dbraw/zinc/01/69/68/1013016968.db2.gz XFQRSRMJHLBTQW-HOJAQTOUSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)c1 ZINC001095265953 1013016983 /nfs/dbraw/zinc/01/69/83/1013016983.db2.gz XFQRSRMJHLBTQW-HOJAQTOUSA-N 1 2 364.424 2.936 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001097253702 1017251658 /nfs/dbraw/zinc/25/16/58/1017251658.db2.gz ONMGGPXIXCSNPB-ZTTMTSROSA-N 1 2 371.456 2.734 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001097253702 1017251664 /nfs/dbraw/zinc/25/16/64/1017251664.db2.gz ONMGGPXIXCSNPB-ZTTMTSROSA-N 1 2 371.456 2.734 20 30 FFEDLO Cc1nsc(N2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@H]2C)c1C#N ZINC001051219906 1017255330 /nfs/dbraw/zinc/25/53/30/1017255330.db2.gz DWKQOZIIXYOXKB-RISCZKNCSA-N 1 2 366.450 2.597 20 30 FFEDLO Cc1noc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)c1C ZINC001097296940 1017328589 /nfs/dbraw/zinc/32/85/89/1017328589.db2.gz XRNSQIOKALBHHH-NXHRZFHOSA-N 1 2 368.412 2.838 20 30 FFEDLO Cc1noc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)c1C ZINC001097296940 1017328603 /nfs/dbraw/zinc/32/86/03/1017328603.db2.gz XRNSQIOKALBHHH-NXHRZFHOSA-N 1 2 368.412 2.838 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ncc(F)cc1F ZINC001097345341 1017377777 /nfs/dbraw/zinc/37/77/77/1017377777.db2.gz NKVYSWFQGPFEGN-QRQLOZEOSA-N 1 2 367.399 2.747 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ncc(F)cc1F ZINC001097345341 1017377788 /nfs/dbraw/zinc/37/77/88/1017377788.db2.gz NKVYSWFQGPFEGN-QRQLOZEOSA-N 1 2 367.399 2.747 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001057758064 1017397761 /nfs/dbraw/zinc/39/77/61/1017397761.db2.gz BDWPOFDLWAECFE-RBSFLKMASA-N 1 2 367.428 2.637 20 30 FFEDLO CCOc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)co1 ZINC001097440988 1017467516 /nfs/dbraw/zinc/46/75/16/1017467516.db2.gz UCJOGFVJPKAJSU-XFJVYGCCSA-N 1 2 372.450 2.542 20 30 FFEDLO CCOc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)co1 ZINC001097440988 1017467521 /nfs/dbraw/zinc/46/75/21/1017467521.db2.gz UCJOGFVJPKAJSU-XFJVYGCCSA-N 1 2 372.450 2.542 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001055461342 1017548970 /nfs/dbraw/zinc/54/89/70/1017548970.db2.gz CUPOEKSEEZIEDS-LFDJNIOPSA-N 1 2 370.497 2.609 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(F)c[nH]2)C3)c1 ZINC001097560469 1017622534 /nfs/dbraw/zinc/62/25/34/1017622534.db2.gz SKQJWVWGWYJRJF-KYJSFNMBSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(F)c[nH]2)C3)c1 ZINC001097560469 1017622541 /nfs/dbraw/zinc/62/25/41/1017622541.db2.gz SKQJWVWGWYJRJF-KYJSFNMBSA-N 1 2 356.376 2.700 20 30 FFEDLO C=CCCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C[C@H]21 ZINC001222064227 1032726137 /nfs/dbraw/zinc/72/61/37/1032726137.db2.gz KDDYGGWRHDIEPG-CRAIPNDOSA-N 1 2 350.409 2.590 20 30 FFEDLO C=CCCOCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C[C@H]21 ZINC001222064227 1032726140 /nfs/dbraw/zinc/72/61/40/1032726140.db2.gz KDDYGGWRHDIEPG-CRAIPNDOSA-N 1 2 350.409 2.590 20 30 FFEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n21 ZINC000748997632 1017929182 /nfs/dbraw/zinc/92/91/82/1017929182.db2.gz GFJNRMLMISROPS-XFXZXTDPSA-N 1 2 369.446 2.789 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(F)c2F)c1 ZINC001097813048 1017976869 /nfs/dbraw/zinc/97/68/69/1017976869.db2.gz LZMVULGEHYVIQM-QRQLOZEOSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(F)c2F)c1 ZINC001097813048 1017976879 /nfs/dbraw/zinc/97/68/79/1017976879.db2.gz LZMVULGEHYVIQM-QRQLOZEOSA-N 1 2 367.399 2.876 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ocnc1C1CC1)C2 ZINC001097845469 1017996495 /nfs/dbraw/zinc/99/64/95/1017996495.db2.gz IILDFTVSQJYCSQ-KURKYZTESA-N 1 2 362.433 2.959 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ocnc1C1CC1)C2 ZINC001097845469 1017996503 /nfs/dbraw/zinc/99/65/03/1017996503.db2.gz IILDFTVSQJYCSQ-KURKYZTESA-N 1 2 362.433 2.959 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3nsc4ccccc34)C[C@H]21 ZINC001222071888 1032737429 /nfs/dbraw/zinc/73/74/29/1032737429.db2.gz IPXAYXAZCVTLLE-IIDMSEBBSA-N 1 2 371.506 2.920 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3nsc4ccccc34)C[C@H]21 ZINC001222071888 1032737447 /nfs/dbraw/zinc/73/74/47/1032737447.db2.gz IPXAYXAZCVTLLE-IIDMSEBBSA-N 1 2 371.506 2.920 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1Cc3ccncc3C1)C2 ZINC001097858388 1018038243 /nfs/dbraw/zinc/03/82/43/1018038243.db2.gz PXJHZVUXNZYDQG-NMIHRBCNSA-N 1 2 372.472 2.590 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1Cc3ccncc3C1)C2 ZINC001097858388 1018038254 /nfs/dbraw/zinc/03/82/54/1018038254.db2.gz PXJHZVUXNZYDQG-NMIHRBCNSA-N 1 2 372.472 2.590 20 30 FFEDLO CC(C)c1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)[nH]n1 ZINC001097897794 1018365051 /nfs/dbraw/zinc/36/50/51/1018365051.db2.gz USNIYLLARMZJCV-POAQFYNOSA-N 1 2 363.465 2.940 20 30 FFEDLO CC(C)c1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)[nH]n1 ZINC001097897794 1018365062 /nfs/dbraw/zinc/36/50/62/1018365062.db2.gz USNIYLLARMZJCV-POAQFYNOSA-N 1 2 363.465 2.940 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC[C@H](c3ccccc3)O1)O2 ZINC001053600496 1018380342 /nfs/dbraw/zinc/38/03/42/1018380342.db2.gz JPRFYCYXIDNWED-AQNXPRMDSA-N 1 2 370.493 2.832 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(OC)c(Cl)c3)C[C@@H]21 ZINC001217503181 1032760719 /nfs/dbraw/zinc/76/07/19/1032760719.db2.gz BIOBCJZACHMSGK-FUHWJXTLSA-N 1 2 364.873 2.726 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(OC)c(Cl)c3)C[C@@H]21 ZINC001217503181 1032760737 /nfs/dbraw/zinc/76/07/37/1032760737.db2.gz BIOBCJZACHMSGK-FUHWJXTLSA-N 1 2 364.873 2.726 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C3)c1 ZINC001096138551 1018788174 /nfs/dbraw/zinc/78/81/74/1018788174.db2.gz UOEVANLEHKVPLI-YSDSKTICSA-N 1 2 353.441 2.965 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C3)c1 ZINC001096138551 1018788189 /nfs/dbraw/zinc/78/81/89/1018788189.db2.gz UOEVANLEHKVPLI-YSDSKTICSA-N 1 2 353.441 2.965 20 30 FFEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001042590180 1019077698 /nfs/dbraw/zinc/07/76/98/1019077698.db2.gz XBQYBILOBRRZAM-WMZOPIPTSA-N 1 2 370.403 2.691 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cncn3Cc3ccccc3)CC2)cn1 ZINC000801552238 1019103716 /nfs/dbraw/zinc/10/37/16/1019103716.db2.gz DBZMCPLAERIXSI-UHFFFAOYSA-N 1 2 358.449 2.520 20 30 FFEDLO Cc1n[nH]c(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001096185408 1019236581 /nfs/dbraw/zinc/23/65/81/1019236581.db2.gz KWAZRCCQTACYLV-NJAFHUGGSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1n[nH]c(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001096185408 1019236588 /nfs/dbraw/zinc/23/65/88/1019236588.db2.gz KWAZRCCQTACYLV-NJAFHUGGSA-N 1 2 367.428 2.573 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3cc(C)[nH+]c(C(C)C)n3)C2)cn1 ZINC001043266503 1019291211 /nfs/dbraw/zinc/29/12/11/1019291211.db2.gz GHXMIXXLMGVWKB-RDTXWAMCSA-N 1 2 363.465 2.857 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)ccn1 ZINC001096211017 1019393415 /nfs/dbraw/zinc/39/34/15/1019393415.db2.gz WFBNWCHBHLLMDS-HOJAQTOUSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)ccn1 ZINC001096211017 1019393429 /nfs/dbraw/zinc/39/34/29/1019393429.db2.gz WFBNWCHBHLLMDS-HOJAQTOUSA-N 1 2 364.424 2.936 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1N(c1cc(C)[nH+]c(CC)n1)CC2 ZINC001069289111 1019411514 /nfs/dbraw/zinc/41/15/14/1019411514.db2.gz VUIWPNBIQCGPHD-JJDSTIRJSA-N 1 2 370.497 2.556 20 30 FFEDLO C#CCCCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccccc3Cl)C[C@@H]21 ZINC001217670392 1032830198 /nfs/dbraw/zinc/83/01/98/1032830198.db2.gz ZIEBAYQOSDQDMQ-RBUKOAKNSA-N 1 2 360.885 2.945 20 30 FFEDLO C#CCCCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@@H]21 ZINC001217670392 1032830215 /nfs/dbraw/zinc/83/02/15/1032830215.db2.gz ZIEBAYQOSDQDMQ-RBUKOAKNSA-N 1 2 360.885 2.945 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1Nc1cccc(F)c1C#N ZINC001043491676 1019470321 /nfs/dbraw/zinc/47/03/21/1019470321.db2.gz KCUXOOITEXWYCF-SNUQEOBHSA-N 1 2 367.428 2.799 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)c(C)o1 ZINC001096233789 1019509882 /nfs/dbraw/zinc/50/98/82/1019509882.db2.gz DJKJFIGYMGLSOT-NJAFHUGGSA-N 1 2 368.412 2.838 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)c(C)o1 ZINC001096233789 1019509890 /nfs/dbraw/zinc/50/98/90/1019509890.db2.gz DJKJFIGYMGLSOT-NJAFHUGGSA-N 1 2 368.412 2.838 20 30 FFEDLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(Cl)cc2)CCOC1 ZINC001096244624 1019580166 /nfs/dbraw/zinc/58/01/66/1019580166.db2.gz RSISFKLYJPVYOY-JKBKZWBZSA-N 1 2 372.896 2.840 20 30 FFEDLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(Cl)cc2)CCOC1 ZINC001096244624 1019580174 /nfs/dbraw/zinc/58/01/74/1019580174.db2.gz RSISFKLYJPVYOY-JKBKZWBZSA-N 1 2 372.896 2.840 20 30 FFEDLO CCc1nocc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095978386 1019679215 /nfs/dbraw/zinc/67/92/15/1019679215.db2.gz AUHXSZLPWPMWDL-MNEFBYGVSA-N 1 2 350.422 2.644 20 30 FFEDLO CCc1nocc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095978386 1019679223 /nfs/dbraw/zinc/67/92/23/1019679223.db2.gz AUHXSZLPWPMWDL-MNEFBYGVSA-N 1 2 350.422 2.644 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cnn(C(F)F)c1 ZINC001098108598 1019757616 /nfs/dbraw/zinc/75/76/16/1019757616.db2.gz YMJFIMMQUSZQGN-KURKYZTESA-N 1 2 370.403 2.665 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cnn(C(F)F)c1 ZINC001098108598 1019757633 /nfs/dbraw/zinc/75/76/33/1019757633.db2.gz YMJFIMMQUSZQGN-KURKYZTESA-N 1 2 370.403 2.665 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)CC[C@@H](O)c3ccccc3)CCO2)c1 ZINC000930136183 1019887483 /nfs/dbraw/zinc/88/74/83/1019887483.db2.gz RWOXFBMLHAMYGV-VSKRKVRLSA-N 1 2 366.461 2.806 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)CC[C@@H](O)c3ccccc3)CCO2)c1 ZINC000930136183 1019887499 /nfs/dbraw/zinc/88/74/99/1019887499.db2.gz RWOXFBMLHAMYGV-VSKRKVRLSA-N 1 2 366.461 2.806 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001110988892 1020020268 /nfs/dbraw/zinc/02/02/68/1020020268.db2.gz AABRRJOBKHVNIN-QLDGJZPUSA-N 1 2 373.541 2.615 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001110988892 1020020279 /nfs/dbraw/zinc/02/02/79/1020020279.db2.gz AABRRJOBKHVNIN-QLDGJZPUSA-N 1 2 373.541 2.615 20 30 FFEDLO C[NH+](C)[C@@H](C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000780090470 1020058668 /nfs/dbraw/zinc/05/86/68/1020058668.db2.gz UDCUPRLHQYWIGR-GOSISDBHSA-N 1 2 362.389 2.954 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)c2ncc(C)o2)C1 ZINC001070676980 1020061085 /nfs/dbraw/zinc/06/10/85/1020061085.db2.gz XCWKRKWSTKATSL-ARFHVFGLSA-N 1 2 371.485 2.574 20 30 FFEDLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](CNc2cccc(F)c2C#N)C1 ZINC001048363606 1020162893 /nfs/dbraw/zinc/16/28/93/1020162893.db2.gz IHYTZLKOLZIBFK-HIFRSBDPSA-N 1 2 355.417 2.702 20 30 FFEDLO C#Cc1cc(F)c(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC000802570301 1020228072 /nfs/dbraw/zinc/22/80/72/1020228072.db2.gz MEDHGNCMTCUQHZ-UHFFFAOYSA-N 1 2 366.327 2.709 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001072824788 1020313134 /nfs/dbraw/zinc/31/31/34/1020313134.db2.gz DHZCTJDIFLGNOC-BEFAXECRSA-N 1 2 371.456 2.547 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001072824788 1020313144 /nfs/dbraw/zinc/31/31/44/1020313144.db2.gz DHZCTJDIFLGNOC-BEFAXECRSA-N 1 2 371.456 2.547 20 30 FFEDLO O=C1[C@H](CCc2ccccc2)CCN1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902599569 1020330461 /nfs/dbraw/zinc/33/04/61/1020330461.db2.gz FXCPJSFFSQGAFE-LJQANCHMSA-N 1 2 368.477 2.763 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2Cc3c[nH]nc3[C@H](C)C2)cc1 ZINC000931460039 1020477231 /nfs/dbraw/zinc/47/72/31/1020477231.db2.gz VBCOLNPGHKAOGJ-CVEARBPZSA-N 1 2 351.454 2.973 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2Cc3c[nH]nc3[C@H](C)C2)cc1 ZINC000931460039 1020477241 /nfs/dbraw/zinc/47/72/41/1020477241.db2.gz VBCOLNPGHKAOGJ-CVEARBPZSA-N 1 2 351.454 2.973 20 30 FFEDLO C=CC1(CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000931773566 1020580849 /nfs/dbraw/zinc/58/08/49/1020580849.db2.gz PPPJPEWKTLBPPV-HNNXBMFYSA-N 1 2 374.485 2.929 20 30 FFEDLO C=CC1(CC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000931884203 1020617949 /nfs/dbraw/zinc/61/79/49/1020617949.db2.gz FVNWCRBMZSONQD-INIZCTEOSA-N 1 2 374.485 2.860 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001073813376 1020622684 /nfs/dbraw/zinc/62/26/84/1020622684.db2.gz XICJDVRPZGXGGA-HYVNUMGLSA-N 1 2 366.864 2.889 20 30 FFEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001073813376 1020622688 /nfs/dbraw/zinc/62/26/88/1020622688.db2.gz XICJDVRPZGXGGA-HYVNUMGLSA-N 1 2 366.864 2.889 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046500909 1020668379 /nfs/dbraw/zinc/66/83/79/1020668379.db2.gz FPKBITAPSDWOLI-HBFSDRIKSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046500909 1020668382 /nfs/dbraw/zinc/66/83/82/1020668382.db2.gz FPKBITAPSDWOLI-HBFSDRIKSA-N 1 2 359.445 2.593 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001098372681 1020855432 /nfs/dbraw/zinc/85/54/32/1020855432.db2.gz YTOVLAMBLMPPGJ-KURKYZTESA-N 1 2 364.449 2.952 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001098372681 1020855436 /nfs/dbraw/zinc/85/54/36/1020855436.db2.gz YTOVLAMBLMPPGJ-KURKYZTESA-N 1 2 364.449 2.952 20 30 FFEDLO CCOC(=O)[C@@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000932645706 1020862115 /nfs/dbraw/zinc/86/21/15/1020862115.db2.gz CCYRRCLOACCONA-OAHLLOKOSA-N 1 2 353.422 2.623 20 30 FFEDLO CCOC(=O)[C@@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000932645706 1020862118 /nfs/dbraw/zinc/86/21/18/1020862118.db2.gz CCYRRCLOACCONA-OAHLLOKOSA-N 1 2 353.422 2.623 20 30 FFEDLO C=CC1(CC(=O)NCCCCn2cc[nH+]c2)CN(C(=O)OC(C)(C)C)C1 ZINC000932718505 1020884886 /nfs/dbraw/zinc/88/48/86/1020884886.db2.gz WPTSQMDHZXQCCW-UHFFFAOYSA-N 1 2 362.474 2.593 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccncc2)C1 ZINC001098702551 1021051506 /nfs/dbraw/zinc/05/15/06/1021051506.db2.gz PVBRKQMWEJQKSM-RXVVDRJESA-N 1 2 364.424 2.877 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccncc2)C1 ZINC001098702551 1021051510 /nfs/dbraw/zinc/05/15/10/1021051510.db2.gz PVBRKQMWEJQKSM-RXVVDRJESA-N 1 2 364.424 2.877 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000933626864 1021052687 /nfs/dbraw/zinc/05/26/87/1021052687.db2.gz CIICPGSPHOFNLV-OALUTQOASA-N 1 2 353.378 2.573 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000933626864 1021052691 /nfs/dbraw/zinc/05/26/91/1021052691.db2.gz CIICPGSPHOFNLV-OALUTQOASA-N 1 2 353.378 2.573 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2ncnn2CC)C3)CC1 ZINC001099012169 1021590804 /nfs/dbraw/zinc/59/08/04/1021590804.db2.gz QZPFNPBSPNEFTK-PXNSSMCTSA-N 1 2 357.502 2.515 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2ncnn2CC)C3)CC1 ZINC001099012169 1021590822 /nfs/dbraw/zinc/59/08/22/1021590822.db2.gz QZPFNPBSPNEFTK-PXNSSMCTSA-N 1 2 357.502 2.515 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2scnc2COC)C1 ZINC001099068790 1021709535 /nfs/dbraw/zinc/70/95/35/1021709535.db2.gz YSADFQMSIAMVIT-LRDDRELGSA-N 1 2 355.891 2.626 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2scnc2COC)C1 ZINC001099068790 1021709547 /nfs/dbraw/zinc/70/95/47/1021709547.db2.gz YSADFQMSIAMVIT-LRDDRELGSA-N 1 2 355.891 2.626 20 30 FFEDLO Cc1cnoc1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001099102045 1021796170 /nfs/dbraw/zinc/79/61/70/1021796170.db2.gz LJWRVOULJVAQDM-JXFKEZNVSA-N 1 2 368.412 2.778 20 30 FFEDLO Cc1cnoc1C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001099102045 1021796188 /nfs/dbraw/zinc/79/61/88/1021796188.db2.gz LJWRVOULJVAQDM-JXFKEZNVSA-N 1 2 368.412 2.778 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)N(C)Cc2ccccc2C)cc1 ZINC000113249078 1021891495 /nfs/dbraw/zinc/89/14/95/1021891495.db2.gz IXJLSJXVJQNAET-HNNXBMFYSA-N 1 2 355.438 2.688 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2nsc3ccccc23)C1 ZINC001015828348 1021980046 /nfs/dbraw/zinc/98/00/46/1021980046.db2.gz FDQICDSQQRLJBA-ALKREAHSSA-N 1 2 371.506 2.968 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2nsc3ccccc23)C1 ZINC001015828348 1021980050 /nfs/dbraw/zinc/98/00/50/1021980050.db2.gz FDQICDSQQRLJBA-ALKREAHSSA-N 1 2 371.506 2.968 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]nc3ccccc32)C1 ZINC001099173909 1021998629 /nfs/dbraw/zinc/99/86/29/1021998629.db2.gz PFKYCEPVHPGSDI-LIRRHRJNSA-N 1 2 358.873 2.829 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]nc3ccccc32)C1 ZINC001099173909 1021998630 /nfs/dbraw/zinc/99/86/30/1021998630.db2.gz PFKYCEPVHPGSDI-LIRRHRJNSA-N 1 2 358.873 2.829 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H]2CC[N@H+](Cc3cnc(Cl)s3)[C@H]2C1 ZINC001222603399 1033065098 /nfs/dbraw/zinc/06/50/98/1033065098.db2.gz NTAZEMBVJOYPKB-IFIJOSMWSA-N 1 2 369.918 2.546 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3cnc(Cl)s3)[C@H]2C1 ZINC001222603399 1033065115 /nfs/dbraw/zinc/06/51/15/1033065115.db2.gz NTAZEMBVJOYPKB-IFIJOSMWSA-N 1 2 369.918 2.546 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C(F)(F)F)c1 ZINC001038720311 1022688506 /nfs/dbraw/zinc/68/85/06/1022688506.db2.gz QUHRFSGKTVXQRB-ZACQAIPSSA-N 1 2 368.399 2.987 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC001038720311 1022688516 /nfs/dbraw/zinc/68/85/16/1022688516.db2.gz QUHRFSGKTVXQRB-ZACQAIPSSA-N 1 2 368.399 2.987 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2CC(C)C)cc1C#N ZINC001038722882 1022688753 /nfs/dbraw/zinc/68/87/53/1022688753.db2.gz UBCIDWMNEFWURX-BHIYHBOVSA-N 1 2 355.482 2.940 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2CC(C)C)cc1C#N ZINC001038722882 1022688761 /nfs/dbraw/zinc/68/87/61/1022688761.db2.gz UBCIDWMNEFWURX-BHIYHBOVSA-N 1 2 355.482 2.940 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cc(F)ccc1OC ZINC001038795728 1022705421 /nfs/dbraw/zinc/70/54/21/1022705421.db2.gz AZLJCYGDFVRNGV-LNLFQRSKSA-N 1 2 362.445 2.506 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(F)ccc1OC ZINC001038795728 1022705428 /nfs/dbraw/zinc/70/54/28/1022705428.db2.gz AZLJCYGDFVRNGV-LNLFQRSKSA-N 1 2 362.445 2.506 20 30 FFEDLO C=CCN(CCc1ccco1)c1nnc([C@H]2CCC[N@@H+]2C)n1CCOC ZINC001122344288 1023205208 /nfs/dbraw/zinc/20/52/08/1023205208.db2.gz GOVDYLZJUXQOFW-QGZVFWFLSA-N 1 2 359.474 2.519 20 30 FFEDLO C=CCN(CCc1ccco1)c1nnc([C@H]2CCC[N@H+]2C)n1CCOC ZINC001122344288 1023205216 /nfs/dbraw/zinc/20/52/16/1023205216.db2.gz GOVDYLZJUXQOFW-QGZVFWFLSA-N 1 2 359.474 2.519 20 30 FFEDLO C=CC[C@H]1N(c2nnc(Cc3[nH+]ccn3C)n2CCOC)CCCC1(C)C ZINC001122357644 1023214328 /nfs/dbraw/zinc/21/43/28/1023214328.db2.gz HVPHTSHUBUOAJM-MRXNPFEDSA-N 1 2 372.517 2.820 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001122400219 1023245606 /nfs/dbraw/zinc/24/56/06/1023245606.db2.gz OADLUEPWYUXDQX-HZPDHXFCSA-N 1 2 372.517 2.818 20 30 FFEDLO C=C(C)Cn1c(-c2ccco2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001122418675 1023254821 /nfs/dbraw/zinc/25/48/21/1023254821.db2.gz AQSZZUXDIUABDC-UHFFFAOYSA-N 1 2 365.441 2.539 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC2(F)F)nnc1N(C)CC[NH+]1CCOCC1 ZINC001122539952 1023327963 /nfs/dbraw/zinc/32/79/63/1023327963.db2.gz PRJUIKZNQHTYNQ-OAHLLOKOSA-N 1 2 369.460 2.525 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000829366892 1033124580 /nfs/dbraw/zinc/12/45/80/1033124580.db2.gz RFMYJWXGKOCIME-CTNGQTDRSA-N 1 2 350.418 2.538 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000829366892 1033124583 /nfs/dbraw/zinc/12/45/83/1033124583.db2.gz RFMYJWXGKOCIME-CTNGQTDRSA-N 1 2 350.418 2.538 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@H](C)[C@H](F)C1 ZINC001122630461 1023378755 /nfs/dbraw/zinc/37/87/55/1023378755.db2.gz ZTXUUQQVJAEMST-BBWFWOEESA-N 1 2 365.497 2.820 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@H](C)[C@H](F)C1 ZINC001122630461 1023378768 /nfs/dbraw/zinc/37/87/68/1023378768.db2.gz ZTXUUQQVJAEMST-BBWFWOEESA-N 1 2 365.497 2.820 20 30 FFEDLO Cc1cc(N2CCN(C(=O)c3ccc(C#N)cc3F)CC2)nc(C(C)C)[nH+]1 ZINC001120617356 1023388834 /nfs/dbraw/zinc/38/88/34/1023388834.db2.gz GLMFEVRASFIYFW-UHFFFAOYSA-N 1 2 367.428 2.882 20 30 FFEDLO C=CCc1cc(C[N@@H+]2CCO[C@@H](c3noc(C4CC4)n3)C2)c(O)c(OC)c1 ZINC000754729744 1023510381 /nfs/dbraw/zinc/51/03/81/1023510381.db2.gz FQEZCIDMSMOYDI-QGZVFWFLSA-N 1 2 371.437 2.963 20 30 FFEDLO C=CCc1cc(C[N@H+]2CCO[C@@H](c3noc(C4CC4)n3)C2)c(O)c(OC)c1 ZINC000754729744 1023510386 /nfs/dbraw/zinc/51/03/86/1023510386.db2.gz FQEZCIDMSMOYDI-QGZVFWFLSA-N 1 2 371.437 2.963 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@@H](C(C)(C)C)CC1 ZINC001121510197 1023818811 /nfs/dbraw/zinc/81/88/11/1023818811.db2.gz MQYQTJXBXPPDLG-ZACQAIPSSA-N 1 2 361.534 2.854 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H](C(C)(C)C)CC1 ZINC001121510197 1023818813 /nfs/dbraw/zinc/81/88/13/1023818813.db2.gz MQYQTJXBXPPDLG-ZACQAIPSSA-N 1 2 361.534 2.854 20 30 FFEDLO C=CCn1c([C@@H](O)CCCCC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001121579356 1023861362 /nfs/dbraw/zinc/86/13/62/1023861362.db2.gz PAMYUTXXZKAFBP-KRWDZBQOSA-N 1 2 370.501 2.799 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(CC)CCSC ZINC001121584283 1023863994 /nfs/dbraw/zinc/86/39/94/1023863994.db2.gz MUECZJPUGCIKMO-UHFFFAOYSA-N 1 2 362.547 2.746 20 30 FFEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000078636179 1023907845 /nfs/dbraw/zinc/90/78/45/1023907845.db2.gz TWZVIZXJPZNIDG-UHFFFAOYSA-N 1 2 353.422 2.822 20 30 FFEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@H](OC)C1 ZINC001121682631 1023924746 /nfs/dbraw/zinc/92/47/46/1023924746.db2.gz UBZGIZKIURHTAQ-SJLPKXTDSA-N 1 2 355.486 2.882 20 30 FFEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@H](OC)C1 ZINC001121682631 1023924750 /nfs/dbraw/zinc/92/47/50/1023924750.db2.gz UBZGIZKIURHTAQ-SJLPKXTDSA-N 1 2 355.486 2.882 20 30 FFEDLO CC[C@]1(C2CC2)NC(=O)N(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)C1=O ZINC000758210224 1023965251 /nfs/dbraw/zinc/96/52/51/1023965251.db2.gz OFTLDKQMAFVCGK-HXUWFJFHSA-N 1 2 354.454 2.837 20 30 FFEDLO CC[C@]1(C2CC2)NC(=O)N(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)C1=O ZINC000758210224 1023965261 /nfs/dbraw/zinc/96/52/61/1023965261.db2.gz OFTLDKQMAFVCGK-HXUWFJFHSA-N 1 2 354.454 2.837 20 30 FFEDLO CC#CCCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@@H]21 ZINC001218486547 1033176055 /nfs/dbraw/zinc/17/60/55/1033176055.db2.gz FMONVIKBHQQGBD-RBUKOAKNSA-N 1 2 360.885 2.945 20 30 FFEDLO CC#CCCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccccc3Cl)C[C@@H]21 ZINC001218486547 1033176062 /nfs/dbraw/zinc/17/60/62/1033176062.db2.gz FMONVIKBHQQGBD-RBUKOAKNSA-N 1 2 360.885 2.945 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)c(C)nn1 ZINC001095813089 1023966502 /nfs/dbraw/zinc/96/65/02/1023966502.db2.gz BTBAUZZUGLQQKY-HJNYFJLDSA-N 1 2 374.488 2.734 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)c(C)nn1 ZINC001095813089 1023966511 /nfs/dbraw/zinc/96/65/11/1023966511.db2.gz BTBAUZZUGLQQKY-HJNYFJLDSA-N 1 2 374.488 2.734 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CCC4)no3)C[C@@]2(C)C1 ZINC001101203386 1024084958 /nfs/dbraw/zinc/08/49/58/1024084958.db2.gz UOEQBCGADNSFDY-UTKZUKDTSA-N 1 2 370.497 2.811 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CCC4)no3)C[C@@]2(C)C1 ZINC001101203386 1024084966 /nfs/dbraw/zinc/08/49/66/1024084966.db2.gz UOEQBCGADNSFDY-UTKZUKDTSA-N 1 2 370.497 2.811 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2C[N@H+](Cc3nccn3C(F)F)C[C@@]2(C)C1 ZINC001101203520 1024086233 /nfs/dbraw/zinc/08/62/33/1024086233.db2.gz ZNUJSKVFRGJMAH-BEFAXECRSA-N 1 2 364.440 2.752 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nccn3C(F)F)C[C@@]2(C)C1 ZINC001101203520 1024086245 /nfs/dbraw/zinc/08/62/45/1024086245.db2.gz ZNUJSKVFRGJMAH-BEFAXECRSA-N 1 2 364.440 2.752 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(CCC)s3)C[C@@]2(C)C1 ZINC001101216920 1024110584 /nfs/dbraw/zinc/11/05/84/1024110584.db2.gz OQCPNJFKCVNRFQ-BEFAXECRSA-N 1 2 360.527 2.574 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(CCC)s3)C[C@@]2(C)C1 ZINC001101216920 1024110589 /nfs/dbraw/zinc/11/05/89/1024110589.db2.gz OQCPNJFKCVNRFQ-BEFAXECRSA-N 1 2 360.527 2.574 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nc(C(C)C)ns3)C[C@@]2(C)C1 ZINC001101217793 1024113051 /nfs/dbraw/zinc/11/30/51/1024113051.db2.gz IAJHKCXUJIQQIV-BEFAXECRSA-N 1 2 360.527 2.745 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nc(C(C)C)ns3)C[C@@]2(C)C1 ZINC001101217793 1024113055 /nfs/dbraw/zinc/11/30/55/1024113055.db2.gz IAJHKCXUJIQQIV-BEFAXECRSA-N 1 2 360.527 2.745 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nc(CC4CC4)no3)C[C@@]2(C)C1 ZINC001101347140 1024512153 /nfs/dbraw/zinc/51/21/53/1024512153.db2.gz YLYCQFMQZWFQPR-UZLBHIALSA-N 1 2 358.486 2.659 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nc(CC4CC4)no3)C[C@@]2(C)C1 ZINC001101347140 1024512160 /nfs/dbraw/zinc/51/21/60/1024512160.db2.gz YLYCQFMQZWFQPR-UZLBHIALSA-N 1 2 358.486 2.659 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001101379086 1024588031 /nfs/dbraw/zinc/58/80/31/1024588031.db2.gz UPRIAFKXXXVCEH-SXGZJXTBSA-N 1 2 359.518 2.811 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@H+]([C@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001101379086 1024588042 /nfs/dbraw/zinc/58/80/42/1024588042.db2.gz UPRIAFKXXXVCEH-SXGZJXTBSA-N 1 2 359.518 2.811 20 30 FFEDLO CC(C)(C)OC1CC[NH+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000759392223 1024592326 /nfs/dbraw/zinc/59/23/26/1024592326.db2.gz CXHCPPWAAUICTF-UHFFFAOYSA-N 1 2 354.454 2.700 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCc2nc(C)c3ccccc3n2)cc1OC ZINC000193595841 1024597848 /nfs/dbraw/zinc/59/78/48/1024597848.db2.gz SIBUDYVFZPWSNE-UHFFFAOYSA-N 1 2 366.421 2.987 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001101794239 1025046606 /nfs/dbraw/zinc/04/66/06/1025046606.db2.gz XYTVNMDMRHVHBL-HZSPNIEDSA-N 1 2 371.934 2.962 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001101794239 1025046620 /nfs/dbraw/zinc/04/66/20/1025046620.db2.gz XYTVNMDMRHVHBL-HZSPNIEDSA-N 1 2 371.934 2.962 20 30 FFEDLO C=CCC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH]c[nH+]2)C3)CCCCC1 ZINC001490879583 1025373910 /nfs/dbraw/zinc/37/39/10/1025373910.db2.gz KSKVRRYUAWSWDJ-KURKYZTESA-N 1 2 370.497 2.727 20 30 FFEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)C#Cc2ccccc2)c2ccc(Cl)cc2)C1 ZINC000245706352 1025500967 /nfs/dbraw/zinc/50/09/67/1025500967.db2.gz DJZGSRWKKZYJDP-CTNGQTDRSA-N 1 2 368.864 2.880 20 30 FFEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)C#Cc2ccccc2)c2ccc(Cl)cc2)C1 ZINC000245706352 1025500980 /nfs/dbraw/zinc/50/09/80/1025500980.db2.gz DJZGSRWKKZYJDP-CTNGQTDRSA-N 1 2 368.864 2.880 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1C ZINC001102260958 1025657976 /nfs/dbraw/zinc/65/79/76/1025657976.db2.gz JKPHALWWYPHTAQ-ARFHVFGLSA-N 1 2 361.534 2.889 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1C ZINC001102260958 1025657979 /nfs/dbraw/zinc/65/79/79/1025657979.db2.gz JKPHALWWYPHTAQ-ARFHVFGLSA-N 1 2 361.534 2.889 20 30 FFEDLO C[C@@H](C(=O)[C@@H](C#N)c1nnc2n1CCCCC2)[N@@H+]1CCc2ccccc2C1 ZINC000089967347 1025894768 /nfs/dbraw/zinc/89/47/68/1025894768.db2.gz GTHLXYGRQKVWPD-MAUKXSAKSA-N 1 2 363.465 2.628 20 30 FFEDLO C[C@@H](C(=O)[C@@H](C#N)c1nnc2n1CCCCC2)[N@H+]1CCc2ccccc2C1 ZINC000089967347 1025894792 /nfs/dbraw/zinc/89/47/92/1025894792.db2.gz GTHLXYGRQKVWPD-MAUKXSAKSA-N 1 2 363.465 2.628 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000839979752 1026894171 /nfs/dbraw/zinc/89/41/71/1026894171.db2.gz HKUOEBFTCRNGMT-PMACEKPBSA-N 1 2 353.466 2.611 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000839979752 1026894178 /nfs/dbraw/zinc/89/41/78/1026894178.db2.gz HKUOEBFTCRNGMT-PMACEKPBSA-N 1 2 353.466 2.611 20 30 FFEDLO C[C@@H]1C[N@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)[C@H]1c1ccccc1 ZINC000247359755 1026948362 /nfs/dbraw/zinc/94/83/62/1026948362.db2.gz CAYKCYNGPKCPAC-YIFZBPKDSA-N 1 2 374.444 2.976 20 30 FFEDLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)[C@H]1c1ccccc1 ZINC000247359755 1026948366 /nfs/dbraw/zinc/94/83/66/1026948366.db2.gz CAYKCYNGPKCPAC-YIFZBPKDSA-N 1 2 374.444 2.976 20 30 FFEDLO CSc1nc(C[N@@H+]2CCC[C@@H](Oc3ncc(C)cn3)C2)ccc1C#N ZINC001141945603 1027200834 /nfs/dbraw/zinc/20/08/34/1027200834.db2.gz FXAOPVDUIYIVBR-MRXNPFEDSA-N 1 2 355.467 2.817 20 30 FFEDLO CSc1nc(C[N@H+]2CCC[C@@H](Oc3ncc(C)cn3)C2)ccc1C#N ZINC001141945603 1027200835 /nfs/dbraw/zinc/20/08/35/1027200835.db2.gz FXAOPVDUIYIVBR-MRXNPFEDSA-N 1 2 355.467 2.817 20 30 FFEDLO CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)Nc1cccc(F)c1C#N ZINC001103314366 1027209033 /nfs/dbraw/zinc/20/90/33/1027209033.db2.gz PBKWFWHKOVPQAG-BFHYXJOUSA-N 1 2 355.417 2.541 20 30 FFEDLO O=C(c1cccnc1NCCCS)N1CC[NH+](Cc2ccccc2)CC1 ZINC001159869447 1027523241 /nfs/dbraw/zinc/52/32/41/1027523241.db2.gz DCZZQSFYHDUKAX-UHFFFAOYSA-N 1 2 370.522 2.771 20 30 FFEDLO O=C(/C=C\c1ccc(F)cc1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC001160788555 1027879794 /nfs/dbraw/zinc/87/97/94/1027879794.db2.gz KNUZAUGQHYFTGW-YFHOEESVSA-N 1 2 363.392 2.969 20 30 FFEDLO CC[N@H+](C)[C@@H](C(=O)Nc1n[nH]c(-c2cccc(C#N)c2)n1)c1ccccc1 ZINC001161913990 1028361202 /nfs/dbraw/zinc/36/12/02/1028361202.db2.gz KYLUWNWWDQTOAS-QGZVFWFLSA-N 1 2 360.421 2.975 20 30 FFEDLO CC[N@@H+](C)[C@@H](C(=O)Nc1n[nH]c(-c2cccc(C#N)c2)n1)c1ccccc1 ZINC001161913990 1028361219 /nfs/dbraw/zinc/36/12/19/1028361219.db2.gz KYLUWNWWDQTOAS-QGZVFWFLSA-N 1 2 360.421 2.975 20 30 FFEDLO C[C@@H](c1cccc(NC(=O)[C@@H](O)c2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000780931429 1028878652 /nfs/dbraw/zinc/87/86/52/1028878652.db2.gz YWTJICFRJNVBMU-YWZLYKJASA-N 1 2 365.433 2.624 20 30 FFEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001156543476 1029239323 /nfs/dbraw/zinc/23/93/23/1029239323.db2.gz LWBPVRZBPJHFEN-AWEZNQCLSA-N 1 2 350.463 2.838 20 30 FFEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001156543476 1029239340 /nfs/dbraw/zinc/23/93/40/1029239340.db2.gz LWBPVRZBPJHFEN-AWEZNQCLSA-N 1 2 350.463 2.838 20 30 FFEDLO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[NH2+]CC(F)(F)C2)cc1F ZINC001164492618 1029298734 /nfs/dbraw/zinc/29/87/34/1029298734.db2.gz ASQMOSXQWKZNRT-UHFFFAOYSA-N 1 2 367.762 2.853 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1CCC)C2 ZINC001111758062 1029360623 /nfs/dbraw/zinc/36/06/23/1029360623.db2.gz YLIRTFJKQSMRRY-RXVVDRJESA-N 1 2 371.529 2.927 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1CCC)C2 ZINC001111758062 1029360625 /nfs/dbraw/zinc/36/06/25/1029360625.db2.gz YLIRTFJKQSMRRY-RXVVDRJESA-N 1 2 371.529 2.927 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(CC)no1)C2 ZINC001111759657 1029364317 /nfs/dbraw/zinc/36/43/17/1029364317.db2.gz BFKHFKOTZOSUJU-JXFKEZNVSA-N 1 2 358.486 2.871 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(CC)no1)C2 ZINC001111759657 1029364330 /nfs/dbraw/zinc/36/43/30/1029364330.db2.gz BFKHFKOTZOSUJU-JXFKEZNVSA-N 1 2 358.486 2.871 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc([C@H](C)OC)no1)C2 ZINC001111763699 1029379043 /nfs/dbraw/zinc/37/90/43/1029379043.db2.gz CWFICIQSCQWMMD-DOXZYTNZSA-N 1 2 362.474 2.604 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc([C@H](C)OC)no1)C2 ZINC001111763699 1029379050 /nfs/dbraw/zinc/37/90/50/1029379050.db2.gz CWFICIQSCQWMMD-DOXZYTNZSA-N 1 2 362.474 2.604 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(CC3CC3)no1)C2 ZINC001111846217 1029608651 /nfs/dbraw/zinc/60/86/51/1029608651.db2.gz VXIJDUOHJQTPQT-UWJYYQICSA-N 1 2 370.497 2.686 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(CC3CC3)no1)C2 ZINC001111846217 1029608659 /nfs/dbraw/zinc/60/86/59/1029608659.db2.gz VXIJDUOHJQTPQT-UWJYYQICSA-N 1 2 370.497 2.686 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(C(C)C)nn1)C2 ZINC001111846029 1029609423 /nfs/dbraw/zinc/60/94/23/1029609423.db2.gz NMXVKGBFYSCIAT-PXNSSMCTSA-N 1 2 357.502 2.523 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(C(C)C)nn1)C2 ZINC001111846029 1029609429 /nfs/dbraw/zinc/60/94/29/1029609429.db2.gz NMXVKGBFYSCIAT-PXNSSMCTSA-N 1 2 357.502 2.523 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc3n1CCCC3)C2 ZINC001111850365 1029616129 /nfs/dbraw/zinc/61/61/29/1029616129.db2.gz JQARZIOILUAMBZ-FIKGOQFSSA-N 1 2 371.529 2.687 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc3n1CCCC3)C2 ZINC001111850365 1029616136 /nfs/dbraw/zinc/61/61/36/1029616136.db2.gz JQARZIOILUAMBZ-FIKGOQFSSA-N 1 2 371.529 2.687 20 30 FFEDLO C=C[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)[nH]1)C2)c1ccccc1 ZINC001111996055 1029845311 /nfs/dbraw/zinc/84/53/11/1029845311.db2.gz IOUHPCVUDGPLJG-WFXMLNOXSA-N 1 2 365.481 2.554 20 30 FFEDLO C=C[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)[nH]1)C2)c1ccccc1 ZINC001111996055 1029845317 /nfs/dbraw/zinc/84/53/17/1029845317.db2.gz IOUHPCVUDGPLJG-WFXMLNOXSA-N 1 2 365.481 2.554 20 30 FFEDLO C=CCCC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001112104700 1030015032 /nfs/dbraw/zinc/01/50/32/1030015032.db2.gz ZQQKOZDKALJLON-BBBLOLIVSA-N 1 2 350.278 2.832 20 30 FFEDLO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001112104700 1030015049 /nfs/dbraw/zinc/01/50/49/1030015049.db2.gz ZQQKOZDKALJLON-BBBLOLIVSA-N 1 2 350.278 2.832 20 30 FFEDLO Cc1nc(N2CCc3onc(Cn4cc[nH+]c4)c3C2)c(Cl)cc1C#N ZINC001165548920 1030023196 /nfs/dbraw/zinc/02/31/96/1030023196.db2.gz QZABEGKOBSQHFT-UHFFFAOYSA-N 1 2 354.801 2.711 20 30 FFEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1c1nc(C)c(C)cc1C#N ZINC001165652966 1030070256 /nfs/dbraw/zinc/07/02/56/1030070256.db2.gz QKJBGZUSNRAPNL-GOSISDBHSA-N 1 2 366.469 2.587 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001112152166 1030108307 /nfs/dbraw/zinc/10/83/07/1030108307.db2.gz LRELLLXILGNPDX-NWANDNLSSA-N 1 2 358.408 2.501 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)N(C(=O)OC(C)(C)C)c2cccnc2)CC1 ZINC001142413279 1030408273 /nfs/dbraw/zinc/40/82/73/1030408273.db2.gz UMLGPPNZGHKPTM-MRXNPFEDSA-N 1 2 374.485 2.542 20 30 FFEDLO C=CCCCCCCCNC(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000841903850 1030529812 /nfs/dbraw/zinc/52/98/12/1030529812.db2.gz BGAPAADBQAATDE-UHFFFAOYSA-N 1 2 374.533 2.797 20 30 FFEDLO C#C[C@@H]1CCCN(c2nc3c(ccn3S(=O)(=O)c3ccccc3)c[nH+]2)C1 ZINC001167006913 1030607468 /nfs/dbraw/zinc/60/74/68/1030607468.db2.gz HJCBSFSESAAFPX-OAHLLOKOSA-N 1 2 366.446 2.518 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1nc2cc(OC)ccc2[nH]1 ZINC001276407606 1030645865 /nfs/dbraw/zinc/64/58/65/1030645865.db2.gz ZTNPZCCYSYTCAS-HXUWFJFHSA-N 1 2 354.454 2.715 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1nc2cc(OC)ccc2[nH]1 ZINC001276407606 1030645874 /nfs/dbraw/zinc/64/58/74/1030645874.db2.gz ZTNPZCCYSYTCAS-HXUWFJFHSA-N 1 2 354.454 2.715 20 30 FFEDLO CC(=O)[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3c(Cl)cccc3C#N)C2)C1=O ZINC001276437204 1031055218 /nfs/dbraw/zinc/05/52/18/1031055218.db2.gz NXRSPCRDESRCGB-BFUOFWGJSA-N 1 2 359.857 2.614 20 30 FFEDLO CC(=O)[C@@H](C)N1CC[C@@]2(CC[N@@H+](Cc3c(Cl)cccc3C#N)C2)C1=O ZINC001276437204 1031055233 /nfs/dbraw/zinc/05/52/33/1031055233.db2.gz NXRSPCRDESRCGB-BFUOFWGJSA-N 1 2 359.857 2.614 20 30 FFEDLO C#C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C)C(C)C ZINC000799386104 1031756420 /nfs/dbraw/zinc/75/64/20/1031756420.db2.gz PZTQSXDAPTXPLS-MJGOQNOKSA-N 1 2 357.498 2.959 20 30 FFEDLO C#C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C)C(C)C ZINC000799386104 1031756435 /nfs/dbraw/zinc/75/64/35/1031756435.db2.gz PZTQSXDAPTXPLS-MJGOQNOKSA-N 1 2 357.498 2.959 20 30 FFEDLO CC#CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1c1ccccc1F ZINC001205614832 1031873818 /nfs/dbraw/zinc/87/38/18/1031873818.db2.gz LJXMKUPMQANWGW-CFVMTHIKSA-N 1 2 360.326 2.633 20 30 FFEDLO CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1c1ccccc1F ZINC001205614832 1031873836 /nfs/dbraw/zinc/87/38/36/1031873836.db2.gz LJXMKUPMQANWGW-CFVMTHIKSA-N 1 2 360.326 2.633 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001223309740 1033384834 /nfs/dbraw/zinc/38/48/34/1033384834.db2.gz MDTLEGCBMLLXSC-MJGOQNOKSA-N 1 2 369.513 2.538 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001223309740 1033384847 /nfs/dbraw/zinc/38/48/47/1033384847.db2.gz MDTLEGCBMLLXSC-MJGOQNOKSA-N 1 2 369.513 2.538 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(CC4CC4)no3)[C@H]2C1 ZINC001223314381 1033387594 /nfs/dbraw/zinc/38/75/94/1033387594.db2.gz CQFQQOJWPVCMOD-MSOLQXFVSA-N 1 2 370.497 2.639 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(CC4CC4)no3)[C@H]2C1 ZINC001223314381 1033387602 /nfs/dbraw/zinc/38/76/02/1033387602.db2.gz CQFQQOJWPVCMOD-MSOLQXFVSA-N 1 2 370.497 2.639 20 30 FFEDLO C=CCCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(C)n4CC)[C@H]3C2)CC1 ZINC001223451923 1033451324 /nfs/dbraw/zinc/45/13/24/1033451324.db2.gz NIQNIPQDFMQVJO-MSOLQXFVSA-N 1 2 371.529 2.776 20 30 FFEDLO C=CCCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc(C)n4CC)[C@H]3C2)CC1 ZINC001223451923 1033451331 /nfs/dbraw/zinc/45/13/31/1033451331.db2.gz NIQNIPQDFMQVJO-MSOLQXFVSA-N 1 2 371.529 2.776 20 30 FFEDLO C=CCCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nc(CC)no4)[C@H]3C2)CC1 ZINC001223460060 1033452798 /nfs/dbraw/zinc/45/27/98/1033452798.db2.gz ZALMQIZDOBEXHI-CVEARBPZSA-N 1 2 358.486 2.801 20 30 FFEDLO C=CCCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nc(CC)no4)[C@H]3C2)CC1 ZINC001223460060 1033452810 /nfs/dbraw/zinc/45/28/10/1033452810.db2.gz ZALMQIZDOBEXHI-CVEARBPZSA-N 1 2 358.486 2.801 20 30 FFEDLO Cc1csc(C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c1Cl ZINC001276804282 1033611211 /nfs/dbraw/zinc/61/12/11/1033611211.db2.gz XWCYMMRMBVARSS-UHFFFAOYSA-N 1 2 374.897 2.878 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2c(Cl)oc3ccccc32)C[C@@H]1O ZINC001219539534 1033680855 /nfs/dbraw/zinc/68/08/55/1033680855.db2.gz PCWNAHXVWJYDKS-CVEARBPZSA-N 1 2 360.841 2.551 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2c(Cl)oc3ccccc32)C[C@@H]1O ZINC001219539534 1033680858 /nfs/dbraw/zinc/68/08/58/1033680858.db2.gz PCWNAHXVWJYDKS-CVEARBPZSA-N 1 2 360.841 2.551 20 30 FFEDLO N#CCC[NH+]1CCC2(C[C@@H]2C(=O)NCc2cccc(OC(F)F)c2)CC1 ZINC001276947980 1033723719 /nfs/dbraw/zinc/72/37/19/1033723719.db2.gz DRYZGJBVRVHFLE-MRXNPFEDSA-N 1 2 363.408 2.920 20 30 FFEDLO C=C[C@@H](CC(=O)N1CC[C@H]2CC[N@H+](Cc3cnon3)[C@H]2C1)c1ccccc1 ZINC001224207165 1033771442 /nfs/dbraw/zinc/77/14/42/1033771442.db2.gz BMQYAMOQTABAJN-HQRMLTQVSA-N 1 2 366.465 2.852 20 30 FFEDLO C=C[C@@H](CC(=O)N1CC[C@H]2CC[N@@H+](Cc3cnon3)[C@H]2C1)c1ccccc1 ZINC001224207165 1033771458 /nfs/dbraw/zinc/77/14/58/1033771458.db2.gz BMQYAMOQTABAJN-HQRMLTQVSA-N 1 2 366.465 2.852 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cc(F)ccc2F)C[C@@H]1O ZINC001219708903 1033778883 /nfs/dbraw/zinc/77/88/83/1033778883.db2.gz GZFARBADJGGTHX-JLZZUVOBSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cc(F)ccc2F)C[C@@H]1O ZINC001219708903 1033778898 /nfs/dbraw/zinc/77/88/98/1033778898.db2.gz GZFARBADJGGTHX-JLZZUVOBSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ncnn4CC)[C@H]3C2)CCCC1 ZINC001224344757 1033856170 /nfs/dbraw/zinc/85/61/70/1033856170.db2.gz WIDGYBWYXGDRFZ-MSOLQXFVSA-N 1 2 371.529 2.857 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4ncnn4CC)[C@H]3C2)CCCC1 ZINC001224344757 1033856182 /nfs/dbraw/zinc/85/61/82/1033856182.db2.gz WIDGYBWYXGDRFZ-MSOLQXFVSA-N 1 2 371.529 2.857 20 30 FFEDLO C[C@@H](C#C[Si](C)(C)C)OCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001224733047 1033987581 /nfs/dbraw/zinc/98/75/81/1033987581.db2.gz AFVPPDKDGFVOHG-INIZCTEOSA-N 1 2 354.567 2.825 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001220205812 1034047413 /nfs/dbraw/zinc/04/74/13/1034047413.db2.gz NSQLOXCYBDDMHN-XYPHTWIQSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001220205812 1034047414 /nfs/dbraw/zinc/04/74/14/1034047414.db2.gz NSQLOXCYBDDMHN-XYPHTWIQSA-N 1 2 370.415 2.969 20 30 FFEDLO CCCC(CCC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001220232083 1034057493 /nfs/dbraw/zinc/05/74/93/1034057493.db2.gz CQXLQDKOHSEMNI-MOPGFXCFSA-N 1 2 361.461 2.575 20 30 FFEDLO CCCC(CCC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001220232083 1034057509 /nfs/dbraw/zinc/05/75/09/1034057509.db2.gz CQXLQDKOHSEMNI-MOPGFXCFSA-N 1 2 361.461 2.575 20 30 FFEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cnc(F)cc1Cl)CC2 ZINC001277009322 1034072845 /nfs/dbraw/zinc/07/28/45/1034072845.db2.gz NTODFRNJRMSZAL-AWEZNQCLSA-N 1 2 364.852 2.896 20 30 FFEDLO Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC#Cc2ccc(F)cc2)c1C ZINC001225462129 1034263753 /nfs/dbraw/zinc/26/37/53/1034263753.db2.gz DEBXZDUPIMALKE-RTBURBONSA-N 1 2 368.456 2.848 20 30 FFEDLO CC(=O)[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Cl)c(C#N)c1)CC2 ZINC001277083279 1034450246 /nfs/dbraw/zinc/45/02/46/1034450246.db2.gz DJFIQTFEZYJPRD-DYVFJYSZSA-N 1 2 373.884 2.907 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)c(C#N)c1)C2 ZINC001277084448 1034457640 /nfs/dbraw/zinc/45/76/40/1034457640.db2.gz YULDQYAEIABHOL-HXUWFJFHSA-N 1 2 373.884 2.839 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)c(C#N)c1)C2 ZINC001277084448 1034457644 /nfs/dbraw/zinc/45/76/44/1034457644.db2.gz YULDQYAEIABHOL-HXUWFJFHSA-N 1 2 373.884 2.839 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(C#Cc3ccc(F)cc3)cc2)C[N@@H+]1C ZINC001226004538 1034488351 /nfs/dbraw/zinc/48/83/51/1034488351.db2.gz LICZGVQRGYGTGN-UXHICEINSA-N 1 2 353.393 2.850 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(C#Cc3ccc(F)cc3)cc2)C[N@H+]1C ZINC001226004538 1034488354 /nfs/dbraw/zinc/48/83/54/1034488354.db2.gz LICZGVQRGYGTGN-UXHICEINSA-N 1 2 353.393 2.850 20 30 FFEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(F)ccnc1Cl)CC2 ZINC001277104539 1034555295 /nfs/dbraw/zinc/55/52/95/1034555295.db2.gz RNMSFGTYZFOTPV-AWEZNQCLSA-N 1 2 364.852 2.896 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)CCCC2CCCC2)[C@@H](O)C1 ZINC001221116463 1034557402 /nfs/dbraw/zinc/55/74/02/1034557402.db2.gz BSQZEGGAEJCHIC-UXHICEINSA-N 1 2 355.482 2.580 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)CCCC2CCCC2)[C@@H](O)C1 ZINC001221116463 1034557409 /nfs/dbraw/zinc/55/74/09/1034557409.db2.gz BSQZEGGAEJCHIC-UXHICEINSA-N 1 2 355.482 2.580 20 30 FFEDLO CC(C)SCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221284205 1034644280 /nfs/dbraw/zinc/64/42/80/1034644280.db2.gz RVZBIXYFYZCHPR-CRAIPNDOSA-N 1 2 361.486 2.872 20 30 FFEDLO CC(C)SCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221284205 1034644287 /nfs/dbraw/zinc/64/42/87/1034644287.db2.gz RVZBIXYFYZCHPR-CRAIPNDOSA-N 1 2 361.486 2.872 20 30 FFEDLO N#CCSCC(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(F)c3Cl)C[C@H]21 ZINC001221289346 1034651484 /nfs/dbraw/zinc/65/14/84/1034651484.db2.gz NTJSRCIACFXJFP-IUODEOHRSA-N 1 2 367.877 2.769 20 30 FFEDLO N#CCSCC(=O)N1C[C@H]2CC[N@H+](Cc3cccc(F)c3Cl)C[C@H]21 ZINC001221289346 1034651492 /nfs/dbraw/zinc/65/14/92/1034651492.db2.gz NTJSRCIACFXJFP-IUODEOHRSA-N 1 2 367.877 2.769 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3c(Cl)cccc3OC)C[C@H]21 ZINC001221441848 1034766666 /nfs/dbraw/zinc/76/66/66/1034766666.db2.gz WSWMWAKCONGTLX-RHSMWYFYSA-N 1 2 364.873 2.584 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+](Cc3c(Cl)cccc3OC)C[C@H]21 ZINC001221441848 1034766677 /nfs/dbraw/zinc/76/66/77/1034766677.db2.gz WSWMWAKCONGTLX-RHSMWYFYSA-N 1 2 364.873 2.584 20 30 FFEDLO CSC[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221448043 1034772807 /nfs/dbraw/zinc/77/28/07/1034772807.db2.gz XAZVBQRXGNGVNE-MZMPZRCHSA-N 1 2 361.486 2.729 20 30 FFEDLO CSC[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221448043 1034772814 /nfs/dbraw/zinc/77/28/14/1034772814.db2.gz XAZVBQRXGNGVNE-MZMPZRCHSA-N 1 2 361.486 2.729 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccnc(Cl)c3)C[C@H]21 ZINC001221471075 1034797311 /nfs/dbraw/zinc/79/73/11/1034797311.db2.gz LXYUDLHZBIAYLX-IAGOWNOFSA-N 1 2 363.889 2.751 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccnc(Cl)c3)C[C@H]21 ZINC001221471075 1034797318 /nfs/dbraw/zinc/79/73/18/1034797318.db2.gz LXYUDLHZBIAYLX-IAGOWNOFSA-N 1 2 363.889 2.751 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC001221517479 1034835284 /nfs/dbraw/zinc/83/52/84/1034835284.db2.gz ABIITWZMQPQLOF-BJZITVGISA-N 1 2 366.864 2.839 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC001221517479 1034835294 /nfs/dbraw/zinc/83/52/94/1034835294.db2.gz ABIITWZMQPQLOF-BJZITVGISA-N 1 2 366.864 2.839 20 30 FFEDLO CC(C)(C)C#CC(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221536153 1034853455 /nfs/dbraw/zinc/85/34/55/1034853455.db2.gz AERDASIVPNKMCL-UYAOXDASSA-N 1 2 352.453 2.759 20 30 FFEDLO CC(C)(C)C#CC(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221536153 1034853463 /nfs/dbraw/zinc/85/34/63/1034853463.db2.gz AERDASIVPNKMCL-UYAOXDASSA-N 1 2 352.453 2.759 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)c(C)o3)C[C@H]21)OCC ZINC001221586793 1034898828 /nfs/dbraw/zinc/89/88/28/1034898828.db2.gz RLIIMXSGLCUXSF-KURKYZTESA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)c(C)o3)C[C@H]21)OCC ZINC001221586793 1034898842 /nfs/dbraw/zinc/89/88/42/1034898842.db2.gz RLIIMXSGLCUXSF-KURKYZTESA-N 1 2 361.486 2.695 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccncc4Cl)C[C@H]32)CCC1 ZINC001221610724 1034917395 /nfs/dbraw/zinc/91/73/95/1034917395.db2.gz BBHTUDCDLCFTFF-SJLPKXTDSA-N 1 2 357.885 2.961 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccncc4Cl)C[C@H]32)CCC1 ZINC001221610724 1034917401 /nfs/dbraw/zinc/91/74/01/1034917401.db2.gz BBHTUDCDLCFTFF-SJLPKXTDSA-N 1 2 357.885 2.961 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc4c3OCCO4)CC2)cc1F ZINC001139529247 1035149467 /nfs/dbraw/zinc/14/94/67/1035149467.db2.gz MVNMJYFSXJQHSZ-UHFFFAOYSA-N 1 2 353.397 2.791 20 30 FFEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC(NC(=O)C2CCOCC2)CC1 ZINC001139691538 1035199573 /nfs/dbraw/zinc/19/95/73/1035199573.db2.gz YNGUUXVFVHQLEE-UHFFFAOYSA-N 1 2 361.873 2.719 20 30 FFEDLO C=CCn1cc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)cn1 ZINC001139771380 1035226825 /nfs/dbraw/zinc/22/68/25/1035226825.db2.gz BIZNWUPJAHYYJE-YTQUADARSA-N 1 2 354.454 2.523 20 30 FFEDLO C=CCn1cc(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)cn1 ZINC001139771380 1035226828 /nfs/dbraw/zinc/22/68/28/1035226828.db2.gz BIZNWUPJAHYYJE-YTQUADARSA-N 1 2 354.454 2.523 20 30 FFEDLO C=CC[N@@H+](C)CCN(CC)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC001139869392 1035261266 /nfs/dbraw/zinc/26/12/66/1035261266.db2.gz IMEKCPIQBOMZBT-UHFFFAOYSA-N 1 2 365.275 2.905 20 30 FFEDLO C=CC[N@H+](C)CCN(CC)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC001139869392 1035261270 /nfs/dbraw/zinc/26/12/70/1035261270.db2.gz IMEKCPIQBOMZBT-UHFFFAOYSA-N 1 2 365.275 2.905 20 30 FFEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1ccc(C#N)cc1F ZINC001140136552 1035354260 /nfs/dbraw/zinc/35/42/60/1035354260.db2.gz GDUIZQFHGZKCFI-IBGZPJMESA-N 1 2 369.444 2.710 20 30 FFEDLO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3nnc(C)s3)CC2)C1 ZINC001232242689 1035514153 /nfs/dbraw/zinc/51/41/53/1035514153.db2.gz FKWLMNWRQCCYML-UHFFFAOYSA-N 1 2 350.488 2.847 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccccc3C(=O)Oc3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227414739 1035543461 /nfs/dbraw/zinc/54/34/61/1035543461.db2.gz BNAAGSWDHGMHGC-MXHDYAKMSA-N 1 2 351.402 2.897 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccccc3C(=O)Oc3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227414739 1035543467 /nfs/dbraw/zinc/54/34/67/1035543467.db2.gz BNAAGSWDHGMHGC-MXHDYAKMSA-N 1 2 351.402 2.897 20 30 FFEDLO N#Cc1ccc(Cl)c(C[NH+]2CCC(C(=O)N3CCC(=O)CC3)CC2)c1 ZINC001140601660 1035706217 /nfs/dbraw/zinc/70/62/17/1035706217.db2.gz XMBYPMVGZXJQSB-UHFFFAOYSA-N 1 2 359.857 2.615 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC([N@H+](Cc2cc(C#N)ccn2)C2COC2)CC1 ZINC001232477463 1035722901 /nfs/dbraw/zinc/72/29/01/1035722901.db2.gz AGINISJQWCMADZ-UHFFFAOYSA-N 1 2 372.469 2.554 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2cc(C#N)ccn2)C2COC2)CC1 ZINC001232477463 1035722919 /nfs/dbraw/zinc/72/29/19/1035722919.db2.gz AGINISJQWCMADZ-UHFFFAOYSA-N 1 2 372.469 2.554 20 30 FFEDLO C=CCN1CC2(C[NH+](Cc3c(C)cc(OC(C)C)cc3C)C2)OCC1=O ZINC001277672844 1035744886 /nfs/dbraw/zinc/74/48/86/1035744886.db2.gz HZIXXVGSLJNBGH-UHFFFAOYSA-N 1 2 358.482 2.690 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cnccc1Br ZINC001277258346 1035847201 /nfs/dbraw/zinc/84/72/01/1035847201.db2.gz WTDOMSFCWGKMQK-QGZVFWFLSA-N 1 2 364.287 2.987 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cnccc1Br ZINC001277258346 1035847218 /nfs/dbraw/zinc/84/72/18/1035847218.db2.gz WTDOMSFCWGKMQK-QGZVFWFLSA-N 1 2 364.287 2.987 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cnc4ccc(Br)cc4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228085983 1035920964 /nfs/dbraw/zinc/92/09/64/1035920964.db2.gz WOOYDOPBQQJWMS-QKQQNXCLSA-N 1 2 361.239 2.989 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cnc4ccc(Br)cc4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228085983 1035920974 /nfs/dbraw/zinc/92/09/74/1035920974.db2.gz WOOYDOPBQQJWMS-QKQQNXCLSA-N 1 2 361.239 2.989 20 30 FFEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)cnc1F)CC2 ZINC001277269964 1035939124 /nfs/dbraw/zinc/93/91/24/1035939124.db2.gz SFGWNTMFUWVZAI-OAHLLOKOSA-N 1 2 364.852 2.896 20 30 FFEDLO N#Cc1c(F)cc(C[NH+]2CCC(NC(=O)c3ccncc3)CC2)cc1F ZINC001140755796 1036070296 /nfs/dbraw/zinc/07/02/96/1036070296.db2.gz TUXYPRGELXTRCL-UHFFFAOYSA-N 1 2 356.376 2.626 20 30 FFEDLO CC1(C)C[N@@H+](C2CN(Cc3ccc(Br)c(C#N)c3)C2)CCO1 ZINC001232899585 1036139905 /nfs/dbraw/zinc/13/99/05/1036139905.db2.gz RTBXISQAUUWXSC-UHFFFAOYSA-N 1 2 364.287 2.616 20 30 FFEDLO CC1(C)C[N@H+](C2CN(Cc3ccc(Br)c(C#N)c3)C2)CCO1 ZINC001232899585 1036139914 /nfs/dbraw/zinc/13/99/14/1036139914.db2.gz RTBXISQAUUWXSC-UHFFFAOYSA-N 1 2 364.287 2.616 20 30 FFEDLO COC(=O)[C@]1(NC(=O)OC(C)(C)C)CC[N@H+](Cc2ccc(C)cc2C#N)C1 ZINC001232968402 1036194593 /nfs/dbraw/zinc/19/45/93/1036194593.db2.gz IXMLIBMZZHXOQN-FQEVSTJZSA-N 1 2 373.453 2.509 20 30 FFEDLO COC(=O)[C@]1(NC(=O)OC(C)(C)C)CC[N@@H+](Cc2ccc(C)cc2C#N)C1 ZINC001232968402 1036194600 /nfs/dbraw/zinc/19/46/00/1036194600.db2.gz IXMLIBMZZHXOQN-FQEVSTJZSA-N 1 2 373.453 2.509 20 30 FFEDLO Cc1nc(CN2C(=O)CCC23CC[NH+](Cc2[nH]ccc2C#N)CC3)cs1 ZINC001233043837 1036288802 /nfs/dbraw/zinc/28/88/02/1036288802.db2.gz NBWRXTNXURMVEB-UHFFFAOYSA-N 1 2 369.494 2.809 20 30 FFEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@]2(C1)C[C@@H](NC(=O)c1ccsc1)CCO2 ZINC001233043965 1036289733 /nfs/dbraw/zinc/28/97/33/1036289733.db2.gz GWCWWLPITNOORJ-QFBILLFUSA-N 1 2 370.478 2.501 20 30 FFEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@]2(C1)C[C@@H](NC(=O)c1ccsc1)CCO2 ZINC001233043965 1036289747 /nfs/dbraw/zinc/28/97/47/1036289747.db2.gz GWCWWLPITNOORJ-QFBILLFUSA-N 1 2 370.478 2.501 20 30 FFEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001233043809 1036289864 /nfs/dbraw/zinc/28/98/64/1036289864.db2.gz FYMQWNZLRNILDI-AZUAARDMSA-N 1 2 352.438 2.622 20 30 FFEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001233043809 1036289878 /nfs/dbraw/zinc/28/98/78/1036289878.db2.gz FYMQWNZLRNILDI-AZUAARDMSA-N 1 2 352.438 2.622 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2c(OC)ccc(OC)c2F)C1=O ZINC001277357418 1036504346 /nfs/dbraw/zinc/50/43/46/1036504346.db2.gz KJAHJYKFFRMWHA-HXUWFJFHSA-N 1 2 362.445 2.986 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2c(OC)ccc(OC)c2F)C1=O ZINC001277357418 1036504351 /nfs/dbraw/zinc/50/43/51/1036504351.db2.gz KJAHJYKFFRMWHA-HXUWFJFHSA-N 1 2 362.445 2.986 20 30 FFEDLO N#Cc1ccc(O[C@H]2C[NH+]3CCC2CC3)c(I)c1 ZINC001229906133 1036971574 /nfs/dbraw/zinc/97/15/74/1036971574.db2.gz OZHMJYFQZCFRLD-AWEZNQCLSA-N 1 2 354.191 2.636 20 30 FFEDLO Cc1oc(-c2ccco2)nc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206952026 1036973978 /nfs/dbraw/zinc/97/39/78/1036973978.db2.gz UXFXMJWFIXYMJX-CZUORRHYSA-N 1 2 353.422 2.593 20 30 FFEDLO Cc1oc(-c2ccco2)nc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206952026 1036973992 /nfs/dbraw/zinc/97/39/92/1036973992.db2.gz UXFXMJWFIXYMJX-CZUORRHYSA-N 1 2 353.422 2.593 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cnc4cc(Br)ccc4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234530424 1037076426 /nfs/dbraw/zinc/07/64/26/1037076426.db2.gz ZSKIRHWXQRJIBC-QKQQNXCLSA-N 1 2 361.239 2.989 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cnc4cc(Br)ccc4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234530424 1037076443 /nfs/dbraw/zinc/07/64/43/1037076443.db2.gz ZSKIRHWXQRJIBC-QKQQNXCLSA-N 1 2 361.239 2.989 20 30 FFEDLO N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2[nH]nc3ccc(F)cc32)C1=O ZINC001276511939 1037191508 /nfs/dbraw/zinc/19/15/08/1037191508.db2.gz VCVRINQDGQFAQZ-IBGZPJMESA-N 1 2 355.417 2.573 20 30 FFEDLO N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2[nH]nc3ccc(F)cc32)C1=O ZINC001276511939 1037191516 /nfs/dbraw/zinc/19/15/16/1037191516.db2.gz VCVRINQDGQFAQZ-IBGZPJMESA-N 1 2 355.417 2.573 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001207158720 1037206729 /nfs/dbraw/zinc/20/67/29/1037206729.db2.gz ZHBXUDQWHNTLBN-SJLPKXTDSA-N 1 2 357.498 2.972 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001207158720 1037206746 /nfs/dbraw/zinc/20/67/46/1037206746.db2.gz ZHBXUDQWHNTLBN-SJLPKXTDSA-N 1 2 357.498 2.972 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(CCCC)n1 ZINC001230327929 1037225424 /nfs/dbraw/zinc/22/54/24/1037225424.db2.gz NOFZAVSOAHORCO-BZUAXINKSA-N 1 2 364.490 2.520 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(O)c1Cl)C2 ZINC001277919492 1037327327 /nfs/dbraw/zinc/32/73/27/1037327327.db2.gz XCVOGZMOLFSZBB-IBGZPJMESA-N 1 2 364.873 2.673 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccc(O)c1Cl)C2 ZINC001277919492 1037327339 /nfs/dbraw/zinc/32/73/39/1037327339.db2.gz XCVOGZMOLFSZBB-IBGZPJMESA-N 1 2 364.873 2.673 20 30 FFEDLO CCOCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(Cl)cc(C#N)c2)C1=O ZINC001277479485 1037436557 /nfs/dbraw/zinc/43/65/57/1037436557.db2.gz PPQHNJJVKJGTAI-LJQANCHMSA-N 1 2 361.873 2.815 20 30 FFEDLO CCOCCN1CC[C@]2(CCC[N@H+]2Cc2cc(Cl)cc(C#N)c2)C1=O ZINC001277479485 1037436565 /nfs/dbraw/zinc/43/65/65/1037436565.db2.gz PPQHNJJVKJGTAI-LJQANCHMSA-N 1 2 361.873 2.815 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)co1 ZINC001277949200 1037586452 /nfs/dbraw/zinc/58/64/52/1037586452.db2.gz UPIWBYAHLGPVLR-HUUCEWRRSA-N 1 2 366.259 2.911 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)co1 ZINC001277949200 1037586464 /nfs/dbraw/zinc/58/64/64/1037586464.db2.gz UPIWBYAHLGPVLR-HUUCEWRRSA-N 1 2 366.259 2.911 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)c2ccncc2)C1 ZINC001207686920 1037657303 /nfs/dbraw/zinc/65/73/03/1037657303.db2.gz SERIGTSZPOZHIE-WOSRLPQWSA-N 1 2 366.303 2.920 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)c2ccncc2)C1 ZINC001207686920 1037657312 /nfs/dbraw/zinc/65/73/12/1037657312.db2.gz SERIGTSZPOZHIE-WOSRLPQWSA-N 1 2 366.303 2.920 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC)Cc2nn(CC)cc21 ZINC001231619129 1037740704 /nfs/dbraw/zinc/74/07/04/1037740704.db2.gz QROWPTHJZJSSHE-KRWDZBQOSA-N 1 2 354.454 2.919 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)Cc2nn(CC)cc21 ZINC001231619129 1037740723 /nfs/dbraw/zinc/74/07/23/1037740723.db2.gz QROWPTHJZJSSHE-KRWDZBQOSA-N 1 2 354.454 2.919 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3ccccc3s2)C1 ZINC001207878407 1037807088 /nfs/dbraw/zinc/80/70/88/1037807088.db2.gz SIQUOYAWSMBVBF-IIAWOOMASA-N 1 2 371.506 2.642 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3ccccc3s2)C1 ZINC001207878407 1037807111 /nfs/dbraw/zinc/80/71/11/1037807111.db2.gz SIQUOYAWSMBVBF-IIAWOOMASA-N 1 2 371.506 2.642 20 30 FFEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)c(O)cc1F)CC2 ZINC001276566249 1038162065 /nfs/dbraw/zinc/16/20/65/1038162065.db2.gz MWFZHBQAMDYKEY-CQSZACIVSA-N 1 2 350.409 2.965 20 30 FFEDLO C=CC[C@@H]1NC(=O)N([C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1=O ZINC001255832355 1038194597 /nfs/dbraw/zinc/19/45/97/1038194597.db2.gz BRRYFWVUHGUPFD-HOCLYGCPSA-N 1 2 365.836 2.940 20 30 FFEDLO C=CC[C@@H]1NC(=O)N([C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1=O ZINC001255832355 1038194604 /nfs/dbraw/zinc/19/46/04/1038194604.db2.gz BRRYFWVUHGUPFD-HOCLYGCPSA-N 1 2 365.836 2.940 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ccsc2)c1 ZINC001278895529 1038245214 /nfs/dbraw/zinc/24/52/14/1038245214.db2.gz TWRRGAOKVXPBLU-HDICACEKSA-N 1 2 367.474 2.743 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ccsc2)c1 ZINC001278895529 1038245217 /nfs/dbraw/zinc/24/52/17/1038245217.db2.gz TWRRGAOKVXPBLU-HDICACEKSA-N 1 2 367.474 2.743 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3ccccc3)n2C)C[C@H]1C ZINC001208452655 1038326321 /nfs/dbraw/zinc/32/63/21/1038326321.db2.gz WQKWBHJXSCSJEO-SJLPKXTDSA-N 1 2 367.497 2.775 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3ccccc3)n2C)C[C@H]1C ZINC001208452655 1038326330 /nfs/dbraw/zinc/32/63/30/1038326330.db2.gz WQKWBHJXSCSJEO-SJLPKXTDSA-N 1 2 367.497 2.775 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3)C[C@H]2C)CC1 ZINC001208500543 1038362824 /nfs/dbraw/zinc/36/28/24/1038362824.db2.gz SOKCTAHHOGXQCE-SJLPKXTDSA-N 1 2 355.482 2.808 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](CC(=O)Nc3ccccc3)C[C@H]2C)CC1 ZINC001208500543 1038362838 /nfs/dbraw/zinc/36/28/38/1038362838.db2.gz SOKCTAHHOGXQCE-SJLPKXTDSA-N 1 2 355.482 2.808 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)c3ccccc3)C[C@H]2C)CCC1 ZINC001208517611 1038378053 /nfs/dbraw/zinc/37/80/53/1038378053.db2.gz OKNYRWQOEMQORR-IEBWSBKVSA-N 1 2 369.509 2.832 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)c3ccccc3)C[C@H]2C)CCC1 ZINC001208517611 1038378066 /nfs/dbraw/zinc/37/80/66/1038378066.db2.gz OKNYRWQOEMQORR-IEBWSBKVSA-N 1 2 369.509 2.832 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208536997 1038395871 /nfs/dbraw/zinc/39/58/71/1038395871.db2.gz QKDDPCUTDCEQIU-ZMYBRWDISA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208536997 1038395879 /nfs/dbraw/zinc/39/58/79/1038395879.db2.gz QKDDPCUTDCEQIU-ZMYBRWDISA-N 1 2 361.461 2.695 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccoc3)no2)C[C@H]1C ZINC001208963060 1038609580 /nfs/dbraw/zinc/60/95/80/1038609580.db2.gz AUWNRBRPEASMGO-UKRRQHHQSA-N 1 2 358.442 2.868 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccoc3)no2)C[C@H]1C ZINC001208963060 1038609583 /nfs/dbraw/zinc/60/95/83/1038609583.db2.gz AUWNRBRPEASMGO-UKRRQHHQSA-N 1 2 358.442 2.868 20 30 FFEDLO C#CCNC(=O)C1CC[NH+](Cn2cc(-c3ccccc3)oc2=S)CC1 ZINC001256731596 1038611481 /nfs/dbraw/zinc/61/14/81/1038611481.db2.gz XWDNJMGYBQJGHZ-UHFFFAOYSA-N 1 2 355.463 2.896 20 30 FFEDLO CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001257627572 1038906018 /nfs/dbraw/zinc/90/60/18/1038906018.db2.gz RPTVQNAPUBHCFS-YZVOILCLSA-N 1 2 365.474 2.553 20 30 FFEDLO CCOC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001257627572 1038906024 /nfs/dbraw/zinc/90/60/24/1038906024.db2.gz RPTVQNAPUBHCFS-YZVOILCLSA-N 1 2 365.474 2.553 20 30 FFEDLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001209556335 1038989856 /nfs/dbraw/zinc/98/98/56/1038989856.db2.gz VBPCQBXPYKVUTE-NRFANRHFSA-N 1 2 365.481 2.709 20 30 FFEDLO Cc1[nH]ncc1C[N@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001209556335 1038989867 /nfs/dbraw/zinc/98/98/67/1038989867.db2.gz VBPCQBXPYKVUTE-NRFANRHFSA-N 1 2 365.481 2.709 20 30 FFEDLO C=CCOC(=O)CC[C@H]([NH2+]C1CCC(OC(C)C)CC1)C(=O)OCC=C ZINC001257874833 1039033154 /nfs/dbraw/zinc/03/31/54/1039033154.db2.gz LUYCLKFXVUNNPX-ABHNRTSZSA-N 1 2 367.486 2.919 20 30 FFEDLO Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001537408020 1070178925 /nfs/dbraw/zinc/17/89/25/1070178925.db2.gz JZFCXELVSUULMW-IBGZPJMESA-N 1 2 353.397 2.845 20 30 FFEDLO Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001537408020 1070178931 /nfs/dbraw/zinc/17/89/31/1070178931.db2.gz JZFCXELVSUULMW-IBGZPJMESA-N 1 2 353.397 2.845 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@@H](C1)O2 ZINC001278638521 1039363089 /nfs/dbraw/zinc/36/30/89/1039363089.db2.gz ZUKPBSRZPSUEQV-CALCHBBNSA-N 1 2 372.469 2.548 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@@H](C1)O2 ZINC001278638521 1039363100 /nfs/dbraw/zinc/36/31/00/1039363100.db2.gz ZUKPBSRZPSUEQV-CALCHBBNSA-N 1 2 372.469 2.548 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](OC)C2CCCC2)C1 ZINC001210672987 1039662231 /nfs/dbraw/zinc/66/22/31/1039662231.db2.gz QBPLIOQDYFMOHS-DFBGVHRSSA-N 1 2 359.308 2.537 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](OC)C2CCCC2)C1 ZINC001210672987 1039662240 /nfs/dbraw/zinc/66/22/40/1039662240.db2.gz QBPLIOQDYFMOHS-DFBGVHRSSA-N 1 2 359.308 2.537 20 30 FFEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC001259052292 1039674756 /nfs/dbraw/zinc/67/47/56/1039674756.db2.gz OPVIKZMFGYZFLU-UHFFFAOYSA-N 1 2 355.463 2.620 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccn(CC)n2)C[C@H]1C)c1ccccc1 ZINC001211241773 1040028010 /nfs/dbraw/zinc/02/80/10/1040028010.db2.gz NVENMQNBBBNMBY-NSISKUIASA-N 1 2 352.482 2.809 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccn(CC)n2)C[C@H]1C)c1ccccc1 ZINC001211241773 1040028020 /nfs/dbraw/zinc/02/80/20/1040028020.db2.gz NVENMQNBBBNMBY-NSISKUIASA-N 1 2 352.482 2.809 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1CCc2c([nH]nc2C(=O)N2CCCC2)C1 ZINC001253236266 1040059699 /nfs/dbraw/zinc/05/96/99/1040059699.db2.gz CEHAOECMBMWMOD-QGZVFWFLSA-N 1 2 374.529 2.891 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[N@H+]1CCc2c([nH]nc2C(=O)N2CCCC2)C1 ZINC001253236266 1040059706 /nfs/dbraw/zinc/05/97/06/1040059706.db2.gz CEHAOECMBMWMOD-QGZVFWFLSA-N 1 2 374.529 2.891 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1C[C@H](O)c1ccc(F)c(F)c1 ZINC001253356977 1040128086 /nfs/dbraw/zinc/12/80/86/1040128086.db2.gz PNKAMBRGGGYWJD-MSOLQXFVSA-N 1 2 363.408 2.534 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1C[C@H](O)c1ccc(F)c(F)c1 ZINC001253356977 1040128089 /nfs/dbraw/zinc/12/80/89/1040128089.db2.gz PNKAMBRGGGYWJD-MSOLQXFVSA-N 1 2 363.408 2.534 20 30 FFEDLO C#CC[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1C)c1ccccc1 ZINC001211473627 1040236542 /nfs/dbraw/zinc/23/65/42/1040236542.db2.gz VHVHDYYSYFEIQU-HHXXYDBFSA-N 1 2 368.506 2.672 20 30 FFEDLO C#CC[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1C)c1ccccc1 ZINC001211473627 1040236554 /nfs/dbraw/zinc/23/65/54/1040236554.db2.gz VHVHDYYSYFEIQU-HHXXYDBFSA-N 1 2 368.506 2.672 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)CCC(F)F ZINC001213177259 1040309377 /nfs/dbraw/zinc/30/93/77/1040309377.db2.gz JVUARSLLRFEJMP-HZPDHXFCSA-N 1 2 370.827 2.552 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)CCC(F)F ZINC001213177259 1040309392 /nfs/dbraw/zinc/30/93/92/1040309392.db2.gz JVUARSLLRFEJMP-HZPDHXFCSA-N 1 2 370.827 2.552 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2c(Cl)cccc2OC)C[C@H]1OC ZINC001213268953 1040394998 /nfs/dbraw/zinc/39/49/98/1040394998.db2.gz ZZQMZPHMHOEOOY-NVXWUHKLSA-N 1 2 366.889 2.876 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2c(Cl)cccc2OC)C[C@H]1OC ZINC001213268953 1040395010 /nfs/dbraw/zinc/39/50/10/1040395010.db2.gz ZZQMZPHMHOEOOY-NVXWUHKLSA-N 1 2 366.889 2.876 20 30 FFEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCc2onc(C(=O)N3CCCC3)c2C1 ZINC001248750896 1040396040 /nfs/dbraw/zinc/39/60/40/1040396040.db2.gz AQHKZXXRVJLMSS-UHFFFAOYSA-N 1 2 364.449 2.903 20 30 FFEDLO CCc1cc(C#N)ccc1C[N@H+]1CCc2onc(C(=O)N3CCCC3)c2C1 ZINC001248750896 1040396054 /nfs/dbraw/zinc/39/60/54/1040396054.db2.gz AQHKZXXRVJLMSS-UHFFFAOYSA-N 1 2 364.449 2.903 20 30 FFEDLO C=C/C(C)=C/CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213287807 1040413057 /nfs/dbraw/zinc/41/30/57/1040413057.db2.gz PWJQPKIONNXMNY-QIUVRHOZSA-N 1 2 357.429 2.535 20 30 FFEDLO C=C/C(C)=C/CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213287807 1040413060 /nfs/dbraw/zinc/41/30/60/1040413060.db2.gz PWJQPKIONNXMNY-QIUVRHOZSA-N 1 2 357.429 2.535 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213317653 1040442349 /nfs/dbraw/zinc/44/23/49/1040442349.db2.gz RWTZZHQFPHVZFR-NIKGAXFTSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213317653 1040442363 /nfs/dbraw/zinc/44/23/63/1040442363.db2.gz RWTZZHQFPHVZFR-NIKGAXFTSA-N 1 2 359.445 2.615 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2OC)CC1 ZINC001213392437 1040503909 /nfs/dbraw/zinc/50/39/09/1040503909.db2.gz BVYPAZZOGKKIKO-WOJBJXKFSA-N 1 2 352.478 2.600 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2OC)CC1 ZINC001213392437 1040503929 /nfs/dbraw/zinc/50/39/29/1040503929.db2.gz BVYPAZZOGKKIKO-WOJBJXKFSA-N 1 2 352.478 2.600 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)c1C#N ZINC001254117575 1040573662 /nfs/dbraw/zinc/57/36/62/1040573662.db2.gz SLLZGHSKCKQZPJ-INIZCTEOSA-N 1 2 363.465 2.543 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](C(=O)NC3CC3)C2)c1C#N ZINC001254117575 1040573666 /nfs/dbraw/zinc/57/36/66/1040573666.db2.gz SLLZGHSKCKQZPJ-INIZCTEOSA-N 1 2 363.465 2.543 20 30 FFEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H]1C(C)(C)C ZINC001213630791 1040737800 /nfs/dbraw/zinc/73/78/00/1040737800.db2.gz MKGFMUXMHZUAMB-OAHLLOKOSA-N 1 2 355.891 2.562 20 30 FFEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H]1C(C)(C)C ZINC001213630791 1040737818 /nfs/dbraw/zinc/73/78/18/1040737818.db2.gz MKGFMUXMHZUAMB-OAHLLOKOSA-N 1 2 355.891 2.562 20 30 FFEDLO CCC(CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001213631381 1040738609 /nfs/dbraw/zinc/73/86/09/1040738609.db2.gz JLVVBQKIAGFAHY-RTBURBONSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC(CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001213631381 1040738623 /nfs/dbraw/zinc/73/86/23/1040738623.db2.gz JLVVBQKIAGFAHY-RTBURBONSA-N 1 2 361.461 2.839 20 30 FFEDLO O=C1C=C2C[N@H+](Cc3c[nH]c4nc(Cl)nc(Cl)c34)CC[C@H]2S1 ZINC001249468019 1040786065 /nfs/dbraw/zinc/78/60/65/1040786065.db2.gz GYQBPTWNHHXGCZ-SECBINFHSA-N 1 2 355.250 2.990 20 30 FFEDLO O=C1C=C2C[N@@H+](Cc3c[nH]c4nc(Cl)nc(Cl)c34)CC[C@H]2S1 ZINC001249468019 1040786080 /nfs/dbraw/zinc/78/60/80/1040786080.db2.gz GYQBPTWNHHXGCZ-SECBINFHSA-N 1 2 355.250 2.990 20 30 FFEDLO Cc1ccccc1S(=O)(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001254670001 1040869130 /nfs/dbraw/zinc/86/91/30/1040869130.db2.gz IXYYBSWHXULJAN-UHFFFAOYSA-N 1 2 369.490 2.810 20 30 FFEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccccc3Br)CC2)C1 ZINC001254673257 1040869341 /nfs/dbraw/zinc/86/93/41/1040869341.db2.gz HPBGJORARZARHX-ZIAGYGMSSA-N 1 2 362.271 2.899 20 30 FFEDLO N#Cc1cccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1F ZINC001249672117 1040928171 /nfs/dbraw/zinc/92/81/71/1040928171.db2.gz RWCWMOJEBMKGBL-UHFFFAOYSA-N 1 2 353.397 2.744 20 30 FFEDLO CCC(C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213885496 1041024184 /nfs/dbraw/zinc/02/41/84/1041024184.db2.gz IJKDTXJHPDYOCL-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC(C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213885496 1041024200 /nfs/dbraw/zinc/02/42/00/1041024200.db2.gz IJKDTXJHPDYOCL-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO Cn1cc(CN2CC3(C2)C[NH+](Cc2ccc(Cl)cc2O)C3)cc1C#N ZINC001278558041 1041150330 /nfs/dbraw/zinc/15/03/30/1041150330.db2.gz RVBSXQBGQNEHIA-UHFFFAOYSA-N 1 2 356.857 2.574 20 30 FFEDLO COc1cccc([C@@H]2CN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC[NH2+]2)c1 ZINC001262636226 1041765983 /nfs/dbraw/zinc/76/59/83/1041765983.db2.gz NIMKSHMWMWFVOL-FQEVSTJZSA-N 1 2 361.445 2.772 20 30 FFEDLO C=CCn1c([C@H](C)[C@H](O)CC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001262938127 1041975419 /nfs/dbraw/zinc/97/54/19/1041975419.db2.gz SQGVYBHPUVGEJE-NVXWUHKLSA-N 1 2 370.501 2.814 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1CSC ZINC001262941758 1041978026 /nfs/dbraw/zinc/97/80/26/1041978026.db2.gz SYSRKWKZCFSWCC-HZPDHXFCSA-N 1 2 365.547 2.578 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1CSC ZINC001262941758 1041978030 /nfs/dbraw/zinc/97/80/30/1041978030.db2.gz SYSRKWKZCFSWCC-HZPDHXFCSA-N 1 2 365.547 2.578 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2cccs2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001262987755 1042011968 /nfs/dbraw/zinc/01/19/68/1042011968.db2.gz GCRPIWCAFIDXDK-HBUWYVDXSA-N 1 2 361.515 2.635 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2cccs2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001262987755 1042011975 /nfs/dbraw/zinc/01/19/75/1042011975.db2.gz GCRPIWCAFIDXDK-HBUWYVDXSA-N 1 2 361.515 2.635 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2cccs2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001262987756 1042012075 /nfs/dbraw/zinc/01/20/75/1042012075.db2.gz GCRPIWCAFIDXDK-LBTNJELSSA-N 1 2 361.515 2.635 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2cccs2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001262987756 1042012081 /nfs/dbraw/zinc/01/20/81/1042012081.db2.gz GCRPIWCAFIDXDK-LBTNJELSSA-N 1 2 361.515 2.635 20 30 FFEDLO COCCn1c(C[NH+]2CCCC2)nnc1N(C)[C@@H](C)c1cccc(C#N)c1 ZINC001263270075 1042210884 /nfs/dbraw/zinc/21/08/84/1042210884.db2.gz PVMKSPSQUOBKEP-INIZCTEOSA-N 1 2 368.485 2.589 20 30 FFEDLO C=C(C)Cn1c(N(C)C[C@@H]2CC=CCC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001263285914 1042221137 /nfs/dbraw/zinc/22/11/37/1042221137.db2.gz QYOHHVKYWOPKAL-MBOZVWFJSA-N 1 2 359.518 2.558 20 30 FFEDLO C=C(C)Cn1c(N(C)C[C@@H]2CC=CCC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001263285914 1042221141 /nfs/dbraw/zinc/22/11/41/1042221141.db2.gz QYOHHVKYWOPKAL-MBOZVWFJSA-N 1 2 359.518 2.558 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C3CCCC3)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001263285896 1042221200 /nfs/dbraw/zinc/22/12/00/1042221200.db2.gz QTXQXFVTWYYMNB-WAOWUJCRSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C3CCCC3)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001263285896 1042221203 /nfs/dbraw/zinc/22/12/03/1042221203.db2.gz QTXQXFVTWYYMNB-WAOWUJCRSA-N 1 2 373.545 2.782 20 30 FFEDLO N#CC[C@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2C[C@H]2CCCCO2)C1 ZINC001263585759 1042387250 /nfs/dbraw/zinc/38/72/50/1042387250.db2.gz YFHZWHZIJZHBKU-QZTJIDSGSA-N 1 2 372.517 2.573 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)CC[C@@H]2C1 ZINC001264094652 1042622453 /nfs/dbraw/zinc/62/24/53/1042622453.db2.gz OQRNCHGZWCAVRE-BBWFWOEESA-N 1 2 359.518 2.811 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)CC[C@@H]2C1 ZINC001264094652 1042622455 /nfs/dbraw/zinc/62/24/55/1042622455.db2.gz OQRNCHGZWCAVRE-BBWFWOEESA-N 1 2 359.518 2.811 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@H+](CC(=C)Br)[C@@H]1CC ZINC001264602156 1042737292 /nfs/dbraw/zinc/73/72/92/1042737292.db2.gz GFRMVPKVLUTTNL-QLFBSQMISA-N 1 2 359.308 2.845 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=C)Br)[C@@H]1CC ZINC001264602156 1042737296 /nfs/dbraw/zinc/73/72/96/1042737296.db2.gz GFRMVPKVLUTTNL-QLFBSQMISA-N 1 2 359.308 2.845 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CC[N@@H+]1CC(=O)Nc1cccc(C)c1 ZINC001264607693 1042740816 /nfs/dbraw/zinc/74/08/16/1042740816.db2.gz LHUQHKINWCBJBC-RBUKOAKNSA-N 1 2 355.482 2.562 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CC[N@H+]1CC(=O)Nc1cccc(C)c1 ZINC001264607693 1042740822 /nfs/dbraw/zinc/74/08/22/1042740822.db2.gz LHUQHKINWCBJBC-RBUKOAKNSA-N 1 2 355.482 2.562 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2nnc3n2CCCCC3)[C@@H]1CC ZINC001264615863 1042748247 /nfs/dbraw/zinc/74/82/47/1042748247.db2.gz HNAISJHPYNQOTC-JKSUJKDBSA-N 1 2 359.518 2.686 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2nnc3n2CCCCC3)[C@@H]1CC ZINC001264615863 1042748251 /nfs/dbraw/zinc/74/82/51/1042748251.db2.gz HNAISJHPYNQOTC-JKSUJKDBSA-N 1 2 359.518 2.686 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[N@@H+](C)[C@H](C)c1nc(C(C)C)no1 ZINC001265937145 1042887693 /nfs/dbraw/zinc/88/76/93/1042887693.db2.gz UPUYGCDICACDTD-PMPSAXMXSA-N 1 2 364.490 2.673 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[N@H+](C)[C@H](C)c1nc(C(C)C)no1 ZINC001265937145 1042887694 /nfs/dbraw/zinc/88/76/94/1042887694.db2.gz UPUYGCDICACDTD-PMPSAXMXSA-N 1 2 364.490 2.673 20 30 FFEDLO N#Cc1c(N)sc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c1Cl ZINC001279370045 1043032960 /nfs/dbraw/zinc/03/29/60/1043032960.db2.gz CHOYCQXSLFMITM-BETUJISGSA-N 1 2 366.918 2.683 20 30 FFEDLO N#Cc1c(N)sc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c1Cl ZINC001279370045 1043032966 /nfs/dbraw/zinc/03/29/66/1043032966.db2.gz CHOYCQXSLFMITM-BETUJISGSA-N 1 2 366.918 2.683 20 30 FFEDLO N#Cc1c(N)sc(CN2C[C@@H]3COC[C@H](C2)[N@@H+]3C2CCCC2)c1Cl ZINC001279370045 1043032969 /nfs/dbraw/zinc/03/29/69/1043032969.db2.gz CHOYCQXSLFMITM-BETUJISGSA-N 1 2 366.918 2.683 20 30 FFEDLO N#Cc1c(N)sc(CN2C[C@@H]3COC[C@H](C2)[N@H+]3C2CCCC2)c1Cl ZINC001279370045 1043032973 /nfs/dbraw/zinc/03/29/73/1043032973.db2.gz CHOYCQXSLFMITM-BETUJISGSA-N 1 2 366.918 2.683 20 30 FFEDLO Cn1cc(C[NH+]2CC3(C2)CCN(Cc2ncccc2F)CC3)cc1C#N ZINC001279414661 1043082670 /nfs/dbraw/zinc/08/26/70/1043082670.db2.gz MFNMCRAVYCKBIB-UHFFFAOYSA-N 1 2 353.445 2.529 20 30 FFEDLO Cn1cc(CN2CC3(C2)CC[NH+](Cc2ncccc2F)CC3)cc1C#N ZINC001279414661 1043082682 /nfs/dbraw/zinc/08/26/82/1043082682.db2.gz MFNMCRAVYCKBIB-UHFFFAOYSA-N 1 2 353.445 2.529 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+](Cc3[nH]nc4cc(OC)ccc43)C2)C1=O ZINC001237387835 1043131471 /nfs/dbraw/zinc/13/14/71/1043131471.db2.gz KFGJJRWTKNLJEQ-FQEVSTJZSA-N 1 2 354.454 2.572 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+](Cc3[nH]nc4cc(OC)ccc43)C2)C1=O ZINC001237387835 1043131476 /nfs/dbraw/zinc/13/14/76/1043131476.db2.gz KFGJJRWTKNLJEQ-FQEVSTJZSA-N 1 2 354.454 2.572 20 30 FFEDLO N#Cc1ccc2nc(CN3CC[C@H]([NH+]4CCCCC4)C(F)(F)C3)cn2c1 ZINC001237610715 1043269200 /nfs/dbraw/zinc/26/92/00/1043269200.db2.gz MCOYJXZHNINODC-KRWDZBQOSA-N 1 2 359.424 2.901 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)[C@@]13C[C@@H]1C[N@H+](Cc1ncc[nH]1)C3)CCCC2 ZINC001279758739 1043597814 /nfs/dbraw/zinc/59/78/14/1043597814.db2.gz LKGVUBXDQDHKCN-CWTRNNRKSA-N 1 2 367.478 2.682 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)[C@@]13C[C@@H]1C[N@@H+](Cc1ncc[nH]1)C3)CCCC2 ZINC001279758739 1043597820 /nfs/dbraw/zinc/59/78/20/1043597820.db2.gz LKGVUBXDQDHKCN-CWTRNNRKSA-N 1 2 367.478 2.682 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)Cc2cnn(CC)c21 ZINC001238405845 1043688752 /nfs/dbraw/zinc/68/87/52/1043688752.db2.gz JVAWIXLRLRDTAV-GOSISDBHSA-N 1 2 354.454 2.919 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)Cc2cnn(CC)c21 ZINC001238405845 1043688759 /nfs/dbraw/zinc/68/87/59/1043688759.db2.gz JVAWIXLRLRDTAV-GOSISDBHSA-N 1 2 354.454 2.919 20 30 FFEDLO N#CCC1CN(C(=O)[C@H]2CC23CC[NH+](Cc2cnc(Cl)s2)CC3)C1 ZINC001279843894 1043760534 /nfs/dbraw/zinc/76/05/34/1043760534.db2.gz VSOLAESRSLIVTL-CQSZACIVSA-N 1 2 364.902 2.771 20 30 FFEDLO N#CCC1CN(C(=O)[C@]23C[C@H]2CC[N@H+]3Cc2cccc(Br)c2)C1 ZINC001279997391 1044064447 /nfs/dbraw/zinc/06/44/47/1044064447.db2.gz QKIVWTOQVCDMNE-QAPCUYQASA-N 1 2 374.282 2.786 20 30 FFEDLO N#CCC1CN(C(=O)[C@]23C[C@H]2CC[N@@H+]3Cc2cccc(Br)c2)C1 ZINC001279997391 1044064460 /nfs/dbraw/zinc/06/44/60/1044064460.db2.gz QKIVWTOQVCDMNE-QAPCUYQASA-N 1 2 374.282 2.786 20 30 FFEDLO CC(C)(C)NC(=O)[C@@H]1CCC2(C[NH+](CCCc3ccc(C#N)cc3)C2)O1 ZINC001280058868 1044149674 /nfs/dbraw/zinc/14/96/74/1044149674.db2.gz WEGZTBBTLGFRMM-SFHVURJKSA-N 1 2 355.482 2.639 20 30 FFEDLO COC(=O)c1ccc(-c2ccc(OCC[NH+]3CCOCC3)cc2)cc1C#N ZINC001240450354 1044349310 /nfs/dbraw/zinc/34/93/10/1044349310.db2.gz ZUEWDMKQOVGUQE-UHFFFAOYSA-N 1 2 366.417 2.723 20 30 FFEDLO C[C@@H]1c2nc(C(=O)N3CC(CC#N)C3)cn2CC[N@H+]1CC1CCCCC1 ZINC001280237114 1044447640 /nfs/dbraw/zinc/44/76/40/1044447640.db2.gz OBPNDNLCDLWHDI-OAHLLOKOSA-N 1 2 355.486 2.826 20 30 FFEDLO C[C@@H]1c2nc(C(=O)N3CC(CC#N)C3)cn2CC[N@@H+]1CC1CCCCC1 ZINC001280237114 1044447643 /nfs/dbraw/zinc/44/76/43/1044447643.db2.gz OBPNDNLCDLWHDI-OAHLLOKOSA-N 1 2 355.486 2.826 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001280393827 1044646841 /nfs/dbraw/zinc/64/68/41/1044646841.db2.gz REFNVKMBNXUTGE-BZUAXINKSA-N 1 2 360.502 2.716 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001280393827 1044646845 /nfs/dbraw/zinc/64/68/45/1044646845.db2.gz REFNVKMBNXUTGE-BZUAXINKSA-N 1 2 360.502 2.716 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2CC[N@H+](Cc3cnns3)[C@@H]2CC)CCCCC1 ZINC001316740950 1044884734 /nfs/dbraw/zinc/88/47/34/1044884734.db2.gz DGENYAYFDAKOGA-DLBZAZTESA-N 1 2 360.527 2.981 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3cnns3)[C@@H]2CC)CCCCC1 ZINC001316740950 1044884746 /nfs/dbraw/zinc/88/47/46/1044884746.db2.gz DGENYAYFDAKOGA-DLBZAZTESA-N 1 2 360.527 2.981 20 30 FFEDLO C=CCCCC(=O)NCCC1=CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001281526395 1044917118 /nfs/dbraw/zinc/91/71/18/1044917118.db2.gz ZMNFBADEDBSWIS-QZTJIDSGSA-N 1 2 370.497 2.545 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@@H+](Cc2csc(CCCC)n2)[C@@H]1C ZINC001316781837 1044947536 /nfs/dbraw/zinc/94/75/36/1044947536.db2.gz ZJBUSVVPQHRQSZ-SIXWZSSISA-N 1 2 365.543 2.892 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@H+](Cc2csc(CCCC)n2)[C@@H]1C ZINC001316781837 1044947549 /nfs/dbraw/zinc/94/75/49/1044947549.db2.gz ZJBUSVVPQHRQSZ-SIXWZSSISA-N 1 2 365.543 2.892 20 30 FFEDLO N#CC(C#N)c1nc2ccccc2nc1-c1ccc(C[NH+]2CC(O)C2)cc1 ZINC001243637961 1044971750 /nfs/dbraw/zinc/97/17/50/1044971750.db2.gz DBMVXJAONTWJOO-UHFFFAOYSA-N 1 2 355.401 2.604 20 30 FFEDLO CCC[C@H](OCC)C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001316789592 1044979911 /nfs/dbraw/zinc/97/99/11/1044979911.db2.gz ADLFDSFDTNRZAM-CCKFTAQKSA-N 1 2 361.461 2.982 20 30 FFEDLO CCC[C@H](OCC)C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001316789592 1044979919 /nfs/dbraw/zinc/97/99/19/1044979919.db2.gz ADLFDSFDTNRZAM-CCKFTAQKSA-N 1 2 361.461 2.982 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CCN1CC#Cc1ccccc1Cl ZINC001316789320 1044980865 /nfs/dbraw/zinc/98/08/65/1044980865.db2.gz OWMABDWSSQRKQJ-APWZRJJASA-N 1 2 370.884 2.557 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001319472518 1045161108 /nfs/dbraw/zinc/16/11/08/1045161108.db2.gz JVNUTSIJOJZVAB-MJGOQNOKSA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001319472518 1045161114 /nfs/dbraw/zinc/16/11/14/1045161114.db2.gz JVNUTSIJOJZVAB-MJGOQNOKSA-N 1 2 373.453 2.730 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2Cc2ccc3ncccc3c2)CC1 ZINC001539431490 1070637040 /nfs/dbraw/zinc/63/70/40/1070637040.db2.gz SJVVMDRSENWNJP-UHFFFAOYSA-N 1 2 374.492 2.753 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CC[C@@H](C)C2)CC1 ZINC001539444497 1070639653 /nfs/dbraw/zinc/63/96/53/1070639653.db2.gz PYIBUNFBVUBDGN-MSOLQXFVSA-N 1 2 364.497 2.532 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CC=CCC2)CC1 ZINC001539451974 1070641012 /nfs/dbraw/zinc/64/10/12/1070641012.db2.gz HKZNWMNQDMYYCF-GOSISDBHSA-N 1 2 355.530 2.978 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC001282012474 1045322234 /nfs/dbraw/zinc/32/22/34/1045322234.db2.gz ITIUVIXASNBSBY-HZPDHXFCSA-N 1 2 358.486 2.632 20 30 FFEDLO CCOC(=O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC001320584187 1045432045 /nfs/dbraw/zinc/43/20/45/1045432045.db2.gz NRTUWXVKARQXFP-CQSZACIVSA-N 1 2 361.467 2.658 20 30 FFEDLO CCOC(=O)C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC001320584187 1045432047 /nfs/dbraw/zinc/43/20/47/1045432047.db2.gz NRTUWXVKARQXFP-CQSZACIVSA-N 1 2 361.467 2.658 20 30 FFEDLO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)ccc1C#N ZINC001320931503 1045496327 /nfs/dbraw/zinc/49/63/27/1045496327.db2.gz UIIZEZUADGBAHY-RBUKOAKNSA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)ccc1C#N ZINC001320931503 1045496330 /nfs/dbraw/zinc/49/63/30/1045496330.db2.gz UIIZEZUADGBAHY-RBUKOAKNSA-N 1 2 373.453 2.730 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)Nc2nc3ccc(OCC)cc3s2)C1 ZINC001323730250 1045700517 /nfs/dbraw/zinc/70/05/17/1045700517.db2.gz SIYDWTALRJMQCD-CQSZACIVSA-N 1 2 361.467 2.910 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)Nc2nc3ccc(OCC)cc3s2)C1 ZINC001323730250 1045700529 /nfs/dbraw/zinc/70/05/29/1045700529.db2.gz SIYDWTALRJMQCD-CQSZACIVSA-N 1 2 361.467 2.910 20 30 FFEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1N(C(=O)c1cccc3[nH+]ccn31)CC2 ZINC001282575117 1045907075 /nfs/dbraw/zinc/90/70/75/1045907075.db2.gz OCLUCOMGQFRWHJ-DYESRHJHSA-N 1 2 366.465 2.802 20 30 FFEDLO C=C1CCN(c2nnc(CC3CCCC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001539854972 1070713691 /nfs/dbraw/zinc/71/36/91/1070713691.db2.gz ZLHUHKPCWDGWJC-SFHVURJKSA-N 1 2 373.545 2.888 20 30 FFEDLO C=C1CCN(c2nnc(CC3CCCC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001539854972 1070713706 /nfs/dbraw/zinc/71/37/06/1070713706.db2.gz ZLHUHKPCWDGWJC-SFHVURJKSA-N 1 2 373.545 2.888 20 30 FFEDLO C=CCC1(C(=O)N2CCC[C@H](N(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCC1 ZINC001284408868 1046532882 /nfs/dbraw/zinc/53/28/82/1046532882.db2.gz DHNAPELXBFONKX-GVDBMIGSSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCC1(C(=O)N2CCC[C@H](N(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCC1 ZINC001284408868 1046532901 /nfs/dbraw/zinc/53/29/01/1046532901.db2.gz DHNAPELXBFONKX-GVDBMIGSSA-N 1 2 370.497 2.709 20 30 FFEDLO N#Cc1cc(Cl)c(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC001540271386 1070810565 /nfs/dbraw/zinc/81/05/65/1070810565.db2.gz PJDGHXNYZQECKJ-CYBMUJFWSA-N 1 2 368.264 2.802 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2CC2(CC)CC2)CC1 ZINC001286482430 1047122570 /nfs/dbraw/zinc/12/25/70/1047122570.db2.gz RHPTULCQGGTWBP-UHFFFAOYSA-N 1 2 369.538 2.876 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC001287924426 1047375358 /nfs/dbraw/zinc/37/53/58/1047375358.db2.gz MNQMREMECXZFLD-FPOVZHCZSA-N 1 2 360.498 2.541 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC001287924426 1047375366 /nfs/dbraw/zinc/37/53/66/1047375366.db2.gz MNQMREMECXZFLD-FPOVZHCZSA-N 1 2 360.498 2.541 20 30 FFEDLO CC(C)(C)OC(=O)CCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001329540829 1048764863 /nfs/dbraw/zinc/76/48/63/1048764863.db2.gz HSZSOZONNYNNEQ-UHFFFAOYSA-N 1 2 371.481 2.714 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001291643936 1048778459 /nfs/dbraw/zinc/77/84/59/1048778459.db2.gz WXTJXJMHRLXLLL-IAGOWNOFSA-N 1 2 368.481 2.905 20 30 FFEDLO N#Cc1ccc(OC2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C2)cc1 ZINC001330620265 1049232784 /nfs/dbraw/zinc/23/27/84/1049232784.db2.gz BCKLJZQPTNJKBV-UHFFFAOYSA-N 1 2 363.461 2.783 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001296777337 1050093734 /nfs/dbraw/zinc/09/37/34/1050093734.db2.gz ZJQXRMLVFKRHAT-GVDBMIGSSA-N 1 2 358.486 2.709 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001296777337 1050093737 /nfs/dbraw/zinc/09/37/37/1050093737.db2.gz ZJQXRMLVFKRHAT-GVDBMIGSSA-N 1 2 358.486 2.709 20 30 FFEDLO C=CCn1c(N(Cc2cccs2)C2CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339853557 1050270539 /nfs/dbraw/zinc/27/05/39/1050270539.db2.gz IOVWKEYMHWSLBR-DNVCBOLYSA-N 1 2 373.526 2.606 20 30 FFEDLO C=CCn1c(N(Cc2cccs2)C2CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339853557 1050270543 /nfs/dbraw/zinc/27/05/43/1050270543.db2.gz IOVWKEYMHWSLBR-DNVCBOLYSA-N 1 2 373.526 2.606 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H](OC2CCC2)CC1 ZINC001339880182 1050297759 /nfs/dbraw/zinc/29/77/59/1050297759.db2.gz MHIWZIGIANNNFL-KRWDZBQOSA-N 1 2 370.501 2.716 20 30 FFEDLO [NH3+][C@@H](CC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)C(F)F ZINC001341809390 1050424364 /nfs/dbraw/zinc/42/43/64/1050424364.db2.gz GOVQQUUWJWWIAF-XVKPBYJWSA-N 1 2 362.245 2.990 20 30 FFEDLO C=C(C)Cn1c(N(C)[C@H](C)c2ccccc2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001341841443 1050452739 /nfs/dbraw/zinc/45/27/39/1050452739.db2.gz ZCQBSEXHHREGCV-MMOPVJDHSA-N 1 2 369.513 2.963 20 30 FFEDLO C=C(C)Cn1c(N(C)[C@H](C)c2ccccc2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001341841443 1050452747 /nfs/dbraw/zinc/45/27/47/1050452747.db2.gz ZCQBSEXHHREGCV-MMOPVJDHSA-N 1 2 369.513 2.963 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H](OC2CCC2)C1 ZINC001341868836 1050476728 /nfs/dbraw/zinc/47/67/28/1050476728.db2.gz RQSVROWIWYQDPC-KRWDZBQOSA-N 1 2 370.501 2.716 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)C1CCCCC1 ZINC001342028149 1050626397 /nfs/dbraw/zinc/62/63/97/1050626397.db2.gz WCIOISIINJNHGG-UHFFFAOYSA-N 1 2 361.534 2.827 20 30 FFEDLO C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC(Nc2ccccn2)CC1 ZINC001340492544 1050890225 /nfs/dbraw/zinc/89/02/25/1050890225.db2.gz VXBUPKYKZFBZDE-KRWDZBQOSA-N 1 2 367.501 2.707 20 30 FFEDLO C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC(Nc2ccccn2)CC1 ZINC001340492544 1050890235 /nfs/dbraw/zinc/89/02/35/1050890235.db2.gz VXBUPKYKZFBZDE-KRWDZBQOSA-N 1 2 367.501 2.707 20 30 FFEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1 ZINC001340516341 1050908862 /nfs/dbraw/zinc/90/88/62/1050908862.db2.gz ZRAAYOHPFLZVSQ-FXAWDEMLSA-N 1 2 368.460 2.925 20 30 FFEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1 ZINC001340516341 1050908865 /nfs/dbraw/zinc/90/88/65/1050908865.db2.gz ZRAAYOHPFLZVSQ-FXAWDEMLSA-N 1 2 368.460 2.925 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccccc2C)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001342383612 1050978021 /nfs/dbraw/zinc/97/80/21/1050978021.db2.gz FLWQPLQIRXPTCX-WWMYMODYSA-N 1 2 369.513 2.882 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccccc2C)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001342383612 1050978031 /nfs/dbraw/zinc/97/80/31/1050978031.db2.gz FLWQPLQIRXPTCX-WWMYMODYSA-N 1 2 369.513 2.882 20 30 FFEDLO C=CCn1c(N2CCC(CC(C)C)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001342384864 1050979780 /nfs/dbraw/zinc/97/97/80/1050979780.db2.gz LXECLQLSZKZNPF-YLJYHZDGSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC(CC(C)C)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001342384864 1050979787 /nfs/dbraw/zinc/97/97/87/1050979787.db2.gz LXECLQLSZKZNPF-YLJYHZDGSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001342410589 1051006807 /nfs/dbraw/zinc/00/68/07/1051006807.db2.gz YUTJRDPFEVDSNY-NVXWUHKLSA-N 1 2 366.465 2.679 20 30 FFEDLO C=CCn1c(N2CCCC[C@@H]2CC2CCC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340700138 1051065577 /nfs/dbraw/zinc/06/55/77/1051065577.db2.gz BNTVLERIEQOFSJ-DBXWQHBBSA-N 1 2 373.545 2.925 20 30 FFEDLO C=CCn1c(N2CCCC[C@@H]2CC2CCC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340700138 1051065588 /nfs/dbraw/zinc/06/55/88/1051065588.db2.gz BNTVLERIEQOFSJ-DBXWQHBBSA-N 1 2 373.545 2.925 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC(F)(F)C2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001343000904 1051617250 /nfs/dbraw/zinc/61/72/50/1051617250.db2.gz UNZCYMAARJCYKE-OAHLLOKOSA-N 1 2 369.460 2.525 20 30 FFEDLO C[C@H](C(=O)[C@@H](C#N)c1nc(N)c2ccccc2n1)[N@@H+]1CCc2ccccc2C1 ZINC001343354880 1052180089 /nfs/dbraw/zinc/18/00/89/1052180089.db2.gz OEZQAPSERZLYGX-RDTXWAMCSA-N 1 2 371.444 2.835 20 30 FFEDLO N#C[C@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2Cc2cccs2)C1 ZINC001343488874 1052262943 /nfs/dbraw/zinc/26/29/43/1052262943.db2.gz VBNFBUSPQUGHMQ-OAHLLOKOSA-N 1 2 356.499 2.724 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N(CC1CC1)C1CCC1 ZINC001343580139 1052318045 /nfs/dbraw/zinc/31/80/45/1052318045.db2.gz AJYQOCSSCOGSSZ-UHFFFAOYSA-N 1 2 373.545 2.827 20 30 FFEDLO C[C@H]([NH2+]Cc1cc(=O)n2ncc(C#N)c2[nH]1)c1nc(C(F)(F)F)cs1 ZINC001307725531 1052341850 /nfs/dbraw/zinc/34/18/50/1052341850.db2.gz PCNVIWUWHZMVPO-ZETCQYMHSA-N 1 2 368.344 2.633 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC[N@@H+]2C)n1C[C@H]1CCCO1 ZINC001345322948 1052385373 /nfs/dbraw/zinc/38/53/73/1052385373.db2.gz WANUWFPJUMGJRW-MSOLQXFVSA-N 1 2 374.533 2.990 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC[N@H+]2C)n1C[C@H]1CCCO1 ZINC001345322948 1052385381 /nfs/dbraw/zinc/38/53/81/1052385381.db2.gz WANUWFPJUMGJRW-MSOLQXFVSA-N 1 2 374.533 2.990 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2C[C@H]2CCOC2)C1 ZINC001345433561 1052444720 /nfs/dbraw/zinc/44/47/20/1052444720.db2.gz OQYPXZXBRWQWCP-QZTJIDSGSA-N 1 2 359.518 2.703 20 30 FFEDLO CN(c1nnc([C@H]2CCCC[N@@H+]2C)n1C[C@H]1CCOC1)[C@@H]1CCC[C@H]1C#N ZINC001344106410 1052600062 /nfs/dbraw/zinc/60/00/62/1052600062.db2.gz GMUNBPCKUHLZBH-XMTFNYHQSA-N 1 2 372.517 2.600 20 30 FFEDLO CN(c1nnc([C@H]2CCCC[N@H+]2C)n1C[C@H]1CCOC1)[C@@H]1CCC[C@H]1C#N ZINC001344106410 1052600067 /nfs/dbraw/zinc/60/00/67/1052600067.db2.gz GMUNBPCKUHLZBH-XMTFNYHQSA-N 1 2 372.517 2.600 20 30 FFEDLO C#CCCCCC(=O)NC[C@H]1CCCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001334876656 1053128882 /nfs/dbraw/zinc/12/88/82/1053128882.db2.gz DFDIGLWFNJTSGK-KZNAEPCWSA-N 1 2 370.497 2.594 20 30 FFEDLO C#CCCCCC(=O)NC[C@H]1CCCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001334876656 1053128889 /nfs/dbraw/zinc/12/88/89/1053128889.db2.gz DFDIGLWFNJTSGK-KZNAEPCWSA-N 1 2 370.497 2.594 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@H]3CCCC[N@H+]3C)n2C[C@H]2CCCCO2)C1 ZINC001347214661 1053727051 /nfs/dbraw/zinc/72/70/51/1053727051.db2.gz YMUBLDFNGPLMNN-GUDVDZBRSA-N 1 2 371.529 2.854 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2C[C@H]2CCCCO2)C1 ZINC001347214661 1053727062 /nfs/dbraw/zinc/72/70/62/1053727062.db2.gz YMUBLDFNGPLMNN-GUDVDZBRSA-N 1 2 371.529 2.854 20 30 FFEDLO Cn1c[nH+]cc1C1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC001348148193 1054698649 /nfs/dbraw/zinc/69/86/49/1054698649.db2.gz AXFWVINJMYXKQU-UHFFFAOYSA-N 1 2 363.343 2.725 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2c2ccsc2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001352064504 1055164912 /nfs/dbraw/zinc/16/49/12/1055164912.db2.gz ZWWONFXWDQJRCY-GPMSIDNRSA-N 1 2 373.526 2.779 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2c2ccsc2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001352064504 1055164918 /nfs/dbraw/zinc/16/49/18/1055164918.db2.gz ZWWONFXWDQJRCY-GPMSIDNRSA-N 1 2 373.526 2.779 20 30 FFEDLO C=CCn1c([C@H](C)C(C)(C)O)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001356026945 1055226533 /nfs/dbraw/zinc/22/65/33/1055226533.db2.gz BTOIHHRTPKYGPH-HNNXBMFYSA-N 1 2 370.501 2.814 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@@H]1CC[C@H]1OC ZINC001356210936 1055388331 /nfs/dbraw/zinc/38/83/31/1055388331.db2.gz SCNITJNFKQJOBX-QZTJIDSGSA-N 1 2 372.517 2.561 20 30 FFEDLO Cn1cc[nH+]c1CCNC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC001349648901 1055388449 /nfs/dbraw/zinc/38/84/49/1055388449.db2.gz FMCPEJYLTRSZGS-UHFFFAOYSA-N 1 2 360.417 2.843 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCn2nc(C3CC3)cc2C1 ZINC001356211284 1055388901 /nfs/dbraw/zinc/38/89/01/1055388901.db2.gz ZHUSJHJAHOKRQQ-GOSISDBHSA-N 1 2 367.501 2.715 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCn2nc(C3CC3)cc2C1 ZINC001356211284 1055388923 /nfs/dbraw/zinc/38/89/23/1055388923.db2.gz ZHUSJHJAHOKRQQ-GOSISDBHSA-N 1 2 367.501 2.715 20 30 FFEDLO C#CCN(Cc1ncc(CC)o1)C1CC[NH+](Cc2ncc(CC)o2)CC1 ZINC001349701173 1055420191 /nfs/dbraw/zinc/42/01/91/1055420191.db2.gz ZFPYHNCVWAQZHF-UHFFFAOYSA-N 1 2 356.470 2.887 20 30 FFEDLO C#CC[N@H+](Cc1ncc(CC)o1)C1CCN(Cc2ncc(CC)o2)CC1 ZINC001349701173 1055420195 /nfs/dbraw/zinc/42/01/95/1055420195.db2.gz ZFPYHNCVWAQZHF-UHFFFAOYSA-N 1 2 356.470 2.887 20 30 FFEDLO C#CC[N@@H+](Cc1ncc(CC)o1)C1CCN(Cc2ncc(CC)o2)CC1 ZINC001349701173 1055420197 /nfs/dbraw/zinc/42/01/97/1055420197.db2.gz ZFPYHNCVWAQZHF-UHFFFAOYSA-N 1 2 356.470 2.887 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H](OC(C)C)C1 ZINC001352493975 1055524160 /nfs/dbraw/zinc/52/41/60/1055524160.db2.gz CBEUBNBCOJEOFL-GOSISDBHSA-N 1 2 374.533 2.785 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@H](CF)C1 ZINC001357152263 1055797124 /nfs/dbraw/zinc/79/71/24/1055797124.db2.gz JXQQSJULNLDITC-IAGOWNOFSA-N 1 2 365.497 2.822 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@H](CF)C1 ZINC001357152263 1055797132 /nfs/dbraw/zinc/79/71/32/1055797132.db2.gz JXQQSJULNLDITC-IAGOWNOFSA-N 1 2 365.497 2.822 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@H]1c1ccccc1C ZINC001338773549 1055802473 /nfs/dbraw/zinc/80/24/73/1055802473.db2.gz PZHUCXYEYYAOTO-WDSOQIARSA-N 1 2 367.497 2.852 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@H]1c1ccccc1C ZINC001338773549 1055802486 /nfs/dbraw/zinc/80/24/86/1055802486.db2.gz PZHUCXYEYYAOTO-WDSOQIARSA-N 1 2 367.497 2.852 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(CC)CCSC ZINC001338841506 1055863656 /nfs/dbraw/zinc/86/36/56/1055863656.db2.gz WSSJZENMPKNISA-HOTGVXAUSA-N 1 2 365.547 2.579 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(CC)CCSC ZINC001338841506 1055863663 /nfs/dbraw/zinc/86/36/63/1055863663.db2.gz WSSJZENMPKNISA-HOTGVXAUSA-N 1 2 365.547 2.579 20 30 FFEDLO C=CCn1c(C2CC=CC2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001338844357 1055866394 /nfs/dbraw/zinc/86/63/94/1055866394.db2.gz ICPVNFULWSSTHK-UHFFFAOYSA-N 1 2 354.458 2.516 20 30 FFEDLO CCOCCCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC(CC#N)CC1 ZINC001357454790 1055909079 /nfs/dbraw/zinc/90/90/79/1055909079.db2.gz UCLZLPKLLQGBGQ-KRWDZBQOSA-N 1 2 360.506 2.601 20 30 FFEDLO CCOCCCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC(CC#N)CC1 ZINC001357454790 1055909092 /nfs/dbraw/zinc/90/90/92/1055909092.db2.gz UCLZLPKLLQGBGQ-KRWDZBQOSA-N 1 2 360.506 2.601 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@H]1C1CCCCC1 ZINC001338895370 1055912601 /nfs/dbraw/zinc/91/26/01/1055912601.db2.gz OYFLSSVDTFNNEI-BZSNNMDCSA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@H]1C1CCCCC1 ZINC001338895370 1055912608 /nfs/dbraw/zinc/91/26/08/1055912608.db2.gz OYFLSSVDTFNNEI-BZSNNMDCSA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C ZINC001338896710 1055913829 /nfs/dbraw/zinc/91/38/29/1055913829.db2.gz XNPCDKYJRCISPZ-BVBHFADKSA-N 1 2 367.497 2.584 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C ZINC001338896710 1055913833 /nfs/dbraw/zinc/91/38/33/1055913833.db2.gz XNPCDKYJRCISPZ-BVBHFADKSA-N 1 2 367.497 2.584 20 30 FFEDLO C=CC[C@H]1CCCN(c2nnc(Cc3[nH+]ccn3C)n2CCCOCC)C1 ZINC001357475003 1055918256 /nfs/dbraw/zinc/91/82/56/1055918256.db2.gz YNCGMAASBHJNMZ-KRWDZBQOSA-N 1 2 372.517 2.822 20 30 FFEDLO Cc1ccc(C(=O)/C=C/C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001339084926 1056077754 /nfs/dbraw/zinc/07/77/54/1056077754.db2.gz AVWBLWLPTXHLSA-OAGJVSPASA-N 1 2 351.450 2.949 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC(CC#N)CC1 ZINC001351527118 1056309212 /nfs/dbraw/zinc/30/92/12/1056309212.db2.gz SCHMXVGGAQWEQW-ZWKOTPCHSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC(CC#N)CC1 ZINC001351527118 1056309223 /nfs/dbraw/zinc/30/92/23/1056309223.db2.gz SCHMXVGGAQWEQW-ZWKOTPCHSA-N 1 2 370.501 2.520 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC001339502964 1056521549 /nfs/dbraw/zinc/52/15/49/1056521549.db2.gz XFTUCKWTKJZGSK-SJORKVTESA-N 1 2 355.490 2.520 20 30 FFEDLO Cn1cc(Cl)c(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)n1 ZINC001474153127 1056573989 /nfs/dbraw/zinc/57/39/89/1056573989.db2.gz VTSXYVPTXQVOLA-UHFFFAOYSA-N 1 2 355.833 2.535 20 30 FFEDLO C[C@@H]1CN(c2nnc(C3CC[NH+](CCC#N)CC3)n2C)[C@@H]2CCCC[C@H]21 ZINC001339630348 1056655735 /nfs/dbraw/zinc/65/57/35/1056655735.db2.gz XVOBOTDARBGHEY-BPQIPLTHSA-N 1 2 356.518 2.923 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC=C)CC1 ZINC001359029727 1056665423 /nfs/dbraw/zinc/66/54/23/1056665423.db2.gz GHKKKWNDUYYSRK-UHFFFAOYSA-N 1 2 361.493 2.689 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2CC[C@@H]2CCc3ccccc32)CC1 ZINC001359037016 1056668436 /nfs/dbraw/zinc/66/84/36/1056668436.db2.gz RKKMNIGMZQLJOY-IBGZPJMESA-N 1 2 363.509 2.716 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCCCC)CC1 ZINC001359036799 1056668714 /nfs/dbraw/zinc/66/87/14/1056668714.db2.gz JNKLCLWMBKBMAV-UHFFFAOYSA-N 1 2 369.488 2.953 20 30 FFEDLO C#CCSCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443886414 1058251973 /nfs/dbraw/zinc/25/19/73/1058251973.db2.gz LWUFKKQSBZWGRK-HNNXBMFYSA-N 1 2 354.878 2.926 20 30 FFEDLO C#CCSCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443886414 1058251984 /nfs/dbraw/zinc/25/19/84/1058251984.db2.gz LWUFKKQSBZWGRK-HNNXBMFYSA-N 1 2 354.878 2.926 20 30 FFEDLO C[N@H+](CC(=O)O[C@H]1CCCN(c2cc(C#N)ccn2)C1)Cc1ccccc1 ZINC001518251840 1058316329 /nfs/dbraw/zinc/31/63/29/1058316329.db2.gz MIDWRUKLVMUIPF-IBGZPJMESA-N 1 2 364.449 2.597 20 30 FFEDLO C[N@@H+](CC(=O)O[C@H]1CCCN(c2cc(C#N)ccn2)C1)Cc1ccccc1 ZINC001518251840 1058316350 /nfs/dbraw/zinc/31/63/50/1058316350.db2.gz MIDWRUKLVMUIPF-IBGZPJMESA-N 1 2 364.449 2.597 20 30 FFEDLO C=CC[C@@H](CO)NC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001448633909 1058801172 /nfs/dbraw/zinc/80/11/72/1058801172.db2.gz YDRFEEBLAVRCMI-JKSUJKDBSA-N 1 2 367.287 2.639 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC2(CC2(F)F)CC1 ZINC001519701411 1058973493 /nfs/dbraw/zinc/97/34/93/1058973493.db2.gz CMZDATSSMQEXGX-UHFFFAOYSA-N 1 2 364.444 2.534 20 30 FFEDLO COc1cc[nH+]cc1Cn1c(C2CC2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001504457239 1059183192 /nfs/dbraw/zinc/18/31/92/1059183192.db2.gz KGXGKDZUEYSVDP-LJQANCHMSA-N 1 2 352.442 2.737 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001515032391 1059241231 /nfs/dbraw/zinc/24/12/31/1059241231.db2.gz VOFZNLCCYMFPDT-UHFFFAOYSA-N 1 2 372.517 2.962 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2C/C=C/CC)CC1 ZINC001300692872 1059365488 /nfs/dbraw/zinc/36/54/88/1059365488.db2.gz OBOWJHHFTNHWFW-VMPITWQZSA-N 1 2 353.445 2.806 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CC(O)(CCC)CCC)CC1 ZINC001300698119 1059394670 /nfs/dbraw/zinc/39/46/70/1059394670.db2.gz NTUUOQJBIUQKHD-UHFFFAOYSA-N 1 2 373.545 2.632 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CCSCC(C)C)CC1 ZINC001300698467 1059397577 /nfs/dbraw/zinc/39/75/77/1059397577.db2.gz STTOGHIZCSYIQP-UHFFFAOYSA-N 1 2 361.559 2.690 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001520243530 1059528382 /nfs/dbraw/zinc/52/83/82/1059528382.db2.gz AWNZGDSFVBEPJL-KSZLIROESA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001520243530 1059528401 /nfs/dbraw/zinc/52/84/01/1059528401.db2.gz AWNZGDSFVBEPJL-KSZLIROESA-N 1 2 370.501 2.520 20 30 FFEDLO N#Cc1ccc(Oc2cccc(C(=O)N3CC[NH2+][C@H](c4cn[nH]c4)C3)c2)cc1 ZINC001454526392 1059553641 /nfs/dbraw/zinc/55/36/41/1059553641.db2.gz SYXURVRXIIRTKC-FQEVSTJZSA-N 1 2 373.416 2.860 20 30 FFEDLO C#CCN(C)c1nnc(C2CCC2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001507613915 1059659930 /nfs/dbraw/zinc/65/99/30/1059659930.db2.gz UKVMJLISCDYAER-UHFFFAOYSA-N 1 2 364.428 2.988 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C2CC2)CC1 ZINC001507720197 1059699148 /nfs/dbraw/zinc/69/91/48/1059699148.db2.gz DYIKQZHUKMKMJP-UHFFFAOYSA-N 1 2 371.872 2.697 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CCC2CCC(OC)CC2)CC1 ZINC001507723409 1059703818 /nfs/dbraw/zinc/70/38/18/1059703818.db2.gz HIKKNVOTZLOLJB-UHFFFAOYSA-N 1 2 371.529 2.506 20 30 FFEDLO C=CCn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1[C@@]1(C)CCC=CO1 ZINC001520515678 1059754740 /nfs/dbraw/zinc/75/47/40/1059754740.db2.gz DNVZJHXHHQKCLK-HXUWFJFHSA-N 1 2 366.469 2.725 20 30 FFEDLO Cn1c([C@@H]2CCC[N@@H+]2Cc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 ZINC001355564403 1060365513 /nfs/dbraw/zinc/36/55/13/1060365513.db2.gz DLLYRLBEGFNZAX-LPHOPBHVSA-N 1 2 354.433 2.594 20 30 FFEDLO Cn1c([C@@H]2CCC[N@H+]2Cc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 ZINC001355564403 1060365528 /nfs/dbraw/zinc/36/55/28/1060365528.db2.gz DLLYRLBEGFNZAX-LPHOPBHVSA-N 1 2 354.433 2.594 20 30 FFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC001546092134 1060407102 /nfs/dbraw/zinc/40/71/02/1060407102.db2.gz JJABHUNRCZNCKL-NSHDSACASA-N 1 2 354.801 2.938 20 30 FFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC001546092134 1060407112 /nfs/dbraw/zinc/40/71/12/1060407112.db2.gz JJABHUNRCZNCKL-NSHDSACASA-N 1 2 354.801 2.938 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@]2(CC=CCC2)C1 ZINC001355918923 1060725930 /nfs/dbraw/zinc/72/59/30/1060725930.db2.gz FGJRBCKUTSAAAS-ABSDTBQOSA-N 1 2 357.502 2.528 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@]2(CC=CCC2)C1 ZINC001355918923 1060725943 /nfs/dbraw/zinc/72/59/43/1060725943.db2.gz FGJRBCKUTSAAAS-ABSDTBQOSA-N 1 2 357.502 2.528 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)[C@H](C)c1ccccc1C ZINC001355919372 1060727615 /nfs/dbraw/zinc/72/76/15/1060727615.db2.gz ISCSBKIDWQBWID-RYRKJORJSA-N 1 2 355.486 2.707 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)[C@H](C)c1ccccc1C ZINC001355919372 1060727629 /nfs/dbraw/zinc/72/76/29/1060727629.db2.gz ISCSBKIDWQBWID-RYRKJORJSA-N 1 2 355.486 2.707 20 30 FFEDLO C[C@@](O)(C[NH+]1CCN(c2ccsc2C#N)CC1)C(F)(F)C(F)(F)F ZINC001460415297 1060987556 /nfs/dbraw/zinc/98/75/56/1060987556.db2.gz LUQPMEMQSQOZHL-GFCCVEGCSA-N 1 2 369.359 2.690 20 30 FFEDLO N#Cc1ccc(N2CC[NH+]([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC001460638590 1061044453 /nfs/dbraw/zinc/04/44/53/1061044453.db2.gz NUHODDLQZKIWDF-OAQYLSRUSA-N 1 2 360.461 2.700 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)SC)n2Cc2ccccc2)CC1 ZINC001521865120 1061178558 /nfs/dbraw/zinc/17/85/58/1061178558.db2.gz UFHJHRHCKSTGEW-INIZCTEOSA-N 1 2 355.511 2.506 20 30 FFEDLO C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001521909779 1061224879 /nfs/dbraw/zinc/22/48/79/1061224879.db2.gz OKRDELPQVWWPKP-HZPDHXFCSA-N 1 2 354.454 2.515 20 30 FFEDLO Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(C#N)c1 ZINC001462850359 1061807990 /nfs/dbraw/zinc/80/79/90/1061807990.db2.gz CNWDARYXXONZFB-UHFFFAOYSA-N 1 2 370.478 2.731 20 30 FFEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(CCC#N)cc2)C1 ZINC001463695752 1062217397 /nfs/dbraw/zinc/21/73/97/1062217397.db2.gz TVTMMORUTGISQG-UHFFFAOYSA-N 1 2 369.490 2.648 20 30 FFEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(CCC#N)cc2)C1 ZINC001463695752 1062217416 /nfs/dbraw/zinc/21/74/16/1062217416.db2.gz TVTMMORUTGISQG-UHFFFAOYSA-N 1 2 369.490 2.648 20 30 FFEDLO Cc1nnc(N2CCC(C#N)CC2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001492796029 1062226069 /nfs/dbraw/zinc/22/60/69/1062226069.db2.gz KIYDEGSZXQDNRH-UHFFFAOYSA-N 1 2 365.416 2.700 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H](CC#N)c1ccccc1 ZINC001435498257 1062500034 /nfs/dbraw/zinc/50/00/34/1062500034.db2.gz SIDVJFRMZFLOHP-KRWDZBQOSA-N 1 2 350.422 2.863 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@@H+]1Cc1nnc(-c2cccs2)o1 ZINC001479634837 1062667355 /nfs/dbraw/zinc/66/73/55/1062667355.db2.gz LMRYZPDWURCZKQ-LSDHHAIUSA-N 1 2 370.478 2.681 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@H+]1Cc1nnc(-c2cccs2)o1 ZINC001479634837 1062667361 /nfs/dbraw/zinc/66/73/61/1062667361.db2.gz LMRYZPDWURCZKQ-LSDHHAIUSA-N 1 2 370.478 2.681 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2c(F)cccc2Cl)[C@@H]1C ZINC001479707352 1062855188 /nfs/dbraw/zinc/85/51/88/1062855188.db2.gz ZIBWZMOOOQTYQI-XNJGSVPQSA-N 1 2 352.837 2.596 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2c(F)cccc2Cl)[C@@H]1C ZINC001479707352 1062855213 /nfs/dbraw/zinc/85/52/13/1062855213.db2.gz ZIBWZMOOOQTYQI-XNJGSVPQSA-N 1 2 352.837 2.596 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nn2)[C@@H]1C ZINC001479708014 1062856562 /nfs/dbraw/zinc/85/65/62/1062856562.db2.gz UDJLJWYHJYJWPH-APWZRJJASA-N 1 2 367.497 2.949 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nn2)[C@@H]1C ZINC001479708014 1062856585 /nfs/dbraw/zinc/85/65/85/1062856585.db2.gz UDJLJWYHJYJWPH-APWZRJJASA-N 1 2 367.497 2.949 20 30 FFEDLO C[C@H]1CCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@@H]1CCCO1 ZINC001525129489 1063164675 /nfs/dbraw/zinc/16/46/75/1063164675.db2.gz XDRQXMWPZOBYBL-WMZOPIPTSA-N 1 2 372.517 2.539 20 30 FFEDLO C=CC(C)(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001494109571 1063292513 /nfs/dbraw/zinc/29/25/13/1063292513.db2.gz IROIPKZCXSZWFQ-SLUKUZTOSA-N 1 2 370.497 2.754 20 30 FFEDLO C=CC(C)(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001494109571 1063292538 /nfs/dbraw/zinc/29/25/38/1063292538.db2.gz IROIPKZCXSZWFQ-SLUKUZTOSA-N 1 2 370.497 2.754 20 30 FFEDLO Cc1cc(C(=O)Nc2ccc(C(N)=O)cc2-n2cc[nH+]c2)cc(C)c1C#N ZINC001533798380 1063409134 /nfs/dbraw/zinc/40/91/34/1063409134.db2.gz AZLGKOZKHBDMPE-UHFFFAOYSA-N 1 2 359.389 2.712 20 30 FFEDLO C#CC[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)c2cccc(Cl)c2C)CC1 ZINC001574986109 1078098010 /nfs/dbraw/zinc/09/80/10/1078098010.db2.gz SBYKHEXGCQEZJH-UHFFFAOYSA-N 1 2 371.872 2.507 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(-c3cn[nH]n3)cc2)[C@H](C)C1 ZINC001575059667 1078102670 /nfs/dbraw/zinc/10/26/70/1078102670.db2.gz NSLYXKCYZARASK-MLGOLLRUSA-N 1 2 359.861 2.522 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2ccc(-c3cn[nH]n3)cc2)[C@H](C)C1 ZINC001575059667 1078102673 /nfs/dbraw/zinc/10/26/73/1078102673.db2.gz NSLYXKCYZARASK-MLGOLLRUSA-N 1 2 359.861 2.522 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CCc2cnn[nH]2)CC1 ZINC001575073554 1078103167 /nfs/dbraw/zinc/10/31/67/1078103167.db2.gz LVDXGRPSZINPMQ-QFBILLFUSA-N 1 2 359.518 2.653 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCC([C@H]2CCC[N@H+]2CCc2cnn[nH]2)CC1 ZINC001575073554 1078103171 /nfs/dbraw/zinc/10/31/71/1078103171.db2.gz LVDXGRPSZINPMQ-QFBILLFUSA-N 1 2 359.518 2.653 20 30 FFEDLO C=CCOc1cc(OC)ccc1C(=O)NCCCN(C)c1cccc[nH+]1 ZINC001471491646 1064693351 /nfs/dbraw/zinc/69/33/51/1064693351.db2.gz ZAOSTQKTWSSQHU-UHFFFAOYSA-N 1 2 355.438 2.911 20 30 FFEDLO C[C@@H](NC(=O)c1ccc(-c2cn[nH]n2)cc1)[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001575695668 1078165213 /nfs/dbraw/zinc/16/52/13/1078165213.db2.gz GKXIKGLRMFGMCX-HUUCEWRRSA-N 1 2 374.448 2.640 20 30 FFEDLO N#Cc1ccc2c(c1)CCN2C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001583640830 1079244318 /nfs/dbraw/zinc/24/43/18/1079244318.db2.gz JMCLIBYEDCLRTH-UHFFFAOYSA-N 1 2 359.345 2.855 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc4ccccc4nn3)CC2)cc1 ZINC001562992368 1074905859 /nfs/dbraw/zinc/90/58/59/1074905859.db2.gz IVMMDQUEEINGQR-UHFFFAOYSA-N 1 2 372.432 2.851 20 30 FFEDLO CON(C)c1nnc(-c2cccc(C#N)c2)n1CCc1cn2ccccc2[nH+]1 ZINC001555764191 1075679764 /nfs/dbraw/zinc/67/97/64/1075679764.db2.gz PIOWFHOAQLAQCA-UHFFFAOYSA-N 1 2 373.420 2.705 20 30 FFEDLO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001557832063 1075897343 /nfs/dbraw/zinc/89/73/43/1075897343.db2.gz LFEWKUPDWBMBDE-GOSISDBHSA-N 1 2 373.416 2.860 20 30 FFEDLO C#C[C@H]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001558207331 1075960781 /nfs/dbraw/zinc/96/07/81/1075960781.db2.gz LACJEENKUWJKGA-LNLFQRSKSA-N 1 2 357.473 2.644 20 30 FFEDLO N#Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)nc1 ZINC001558464655 1076011056 /nfs/dbraw/zinc/01/10/56/1076011056.db2.gz KVYNBMJTKOVFMX-SFHVURJKSA-N 1 2 372.432 2.856 20 30 FFEDLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)C[C@@H](O)COc1ccccc1C#N ZINC001559513635 1076168286 /nfs/dbraw/zinc/16/82/86/1076168286.db2.gz WUZJPBSOOKQPMB-HXUWFJFHSA-N 1 2 362.433 2.616 20 30 FFEDLO C[N@H+](Cc1ccn(-c2ccccc2)n1)C[C@@H](O)COc1ccccc1C#N ZINC001559513635 1076168288 /nfs/dbraw/zinc/16/82/88/1076168288.db2.gz WUZJPBSOOKQPMB-HXUWFJFHSA-N 1 2 362.433 2.616 20 30 FFEDLO N#Cc1cc(C[NH+]2CCC(n3c(=O)[nH]c4cccnc43)CC2)ccc1F ZINC001560145697 1076235964 /nfs/dbraw/zinc/23/59/64/1076235964.db2.gz QOEAPYIMXYHAJZ-UHFFFAOYSA-N 1 2 351.385 2.985 20 30 FFEDLO N#Cc1cccc(CN2CC[NH+](CCOc3ccccc3Cl)CC2)n1 ZINC001560713679 1076293766 /nfs/dbraw/zinc/29/37/66/1076293766.db2.gz CWULDQYCIGACPF-UHFFFAOYSA-N 1 2 356.857 2.803 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)[C@H](CC)C2)cc1 ZINC001561456457 1076378864 /nfs/dbraw/zinc/37/88/64/1076378864.db2.gz SGGGRFPJWPAXQX-HXUWFJFHSA-N 1 2 368.502 2.953 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](CC)C2)cc1 ZINC001561456457 1076378865 /nfs/dbraw/zinc/37/88/65/1076378865.db2.gz SGGGRFPJWPAXQX-HXUWFJFHSA-N 1 2 368.502 2.953 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)CC[C@@H]1c1ccccc1 ZINC001565998609 1076834127 /nfs/dbraw/zinc/83/41/27/1076834127.db2.gz BDZKLCPZSSSDCY-PWIZWCRZSA-N 1 2 369.509 2.603 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)CC[C@@H]1c1ccccc1 ZINC001565998609 1076834129 /nfs/dbraw/zinc/83/41/29/1076834129.db2.gz BDZKLCPZSSSDCY-PWIZWCRZSA-N 1 2 369.509 2.603 20 30 FFEDLO COc1ccc2nc(C[N@@H+]3CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]3C)sc2c1 ZINC001566083019 1076889551 /nfs/dbraw/zinc/88/95/51/1076889551.db2.gz XGIMXIKYADILAD-SCRDCRAPSA-N 1 2 358.467 2.544 20 30 FFEDLO COc1ccc2nc(C[N@H+]3CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]3C)sc2c1 ZINC001566083019 1076889556 /nfs/dbraw/zinc/88/95/56/1076889556.db2.gz XGIMXIKYADILAD-SCRDCRAPSA-N 1 2 358.467 2.544 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC001573576704 1077744487 /nfs/dbraw/zinc/74/44/87/1077744487.db2.gz YCHGJZRNAQEOKZ-RYRKJORJSA-N 1 2 368.481 2.964 20 30 FFEDLO C=CCC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C3)CCCC1 ZINC001574321516 1077957059 /nfs/dbraw/zinc/95/70/59/1077957059.db2.gz BDEAMROCRYGYCE-NJAFHUGGSA-N 1 2 370.497 2.645 20 30 FFEDLO C#CCN(C)c1nnc(-c2ccccc2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001587958100 1079899697 /nfs/dbraw/zinc/89/96/97/1079899697.db2.gz OPCMDPVBUQGZRS-UHFFFAOYSA-N 1 2 360.465 2.832 20 30 FFEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H](CC(C)C)C(=O)OCC ZINC001588648894 1080140058 /nfs/dbraw/zinc/14/00/58/1080140058.db2.gz RPPDSVYKUSADLY-KRWDZBQOSA-N 1 2 357.458 2.833 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H](CC(C)C)C(=O)OCC ZINC001588648894 1080140061 /nfs/dbraw/zinc/14/00/61/1080140061.db2.gz RPPDSVYKUSADLY-KRWDZBQOSA-N 1 2 357.458 2.833 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CC(F)(F)c2ccccc2)CC1 ZINC001588805789 1080204378 /nfs/dbraw/zinc/20/43/78/1080204378.db2.gz BMMUBDVPKSYWRO-UHFFFAOYSA-N 1 2 371.435 2.703 20 30 FFEDLO C=C(C)C[C@@H](NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)C(=O)OCC ZINC001589371374 1080506599 /nfs/dbraw/zinc/50/65/99/1080506599.db2.gz MUUOOCIGFXMWKZ-GOSISDBHSA-N 1 2 370.453 2.623 20 30 FFEDLO C[C@H]1SCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H]1C ZINC000118419660 250385046 /nfs/dbraw/zinc/38/50/46/250385046.db2.gz KAXZKHDUSLCGQG-ZIAGYGMSSA-N 1 2 355.467 2.508 20 30 FFEDLO C[C@H]1SCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H]1C ZINC000118419660 250385050 /nfs/dbraw/zinc/38/50/50/250385050.db2.gz KAXZKHDUSLCGQG-ZIAGYGMSSA-N 1 2 355.467 2.508 20 30 FFEDLO CC[C@H]1C[C@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000272746376 252119649 /nfs/dbraw/zinc/11/96/49/252119649.db2.gz NLYOSUSEDKVBMR-UXHICEINSA-N 1 2 355.482 2.798 20 30 FFEDLO COc1ccc(C#N)cc1NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000277167299 256167717 /nfs/dbraw/zinc/16/77/17/256167717.db2.gz MFIDYFGGFYUUFO-UHFFFAOYSA-N 1 2 351.406 2.651 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277755595 256235482 /nfs/dbraw/zinc/23/54/82/256235482.db2.gz LYGJYXWLOHOTFE-ZLDLUXBVSA-N 1 2 355.360 2.520 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277755595 256235483 /nfs/dbraw/zinc/23/54/83/256235483.db2.gz LYGJYXWLOHOTFE-ZLDLUXBVSA-N 1 2 355.360 2.520 20 30 FFEDLO Cn1c2c([nH+]c1[C@H]1CCCN1S(=O)(=O)c1ccccc1C#N)CCCC2 ZINC000282346457 256721091 /nfs/dbraw/zinc/72/10/91/256721091.db2.gz OYQDZCYCRPVSSM-QGZVFWFLSA-N 1 2 370.478 2.696 20 30 FFEDLO N#Cc1ccc(N2CC[C@H](C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)C2)c(F)c1 ZINC000285981388 257014521 /nfs/dbraw/zinc/01/45/21/257014521.db2.gz CADIHDJIYMJCMB-HOTGVXAUSA-N 1 2 367.428 2.653 20 30 FFEDLO Cc1ccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(Cl)n1 ZINC000287377063 257086232 /nfs/dbraw/zinc/08/62/32/257086232.db2.gz UFBKNUPBSLPSNO-UHFFFAOYSA-N 1 2 368.868 2.802 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c(C#N)c1C ZINC000287563966 257096086 /nfs/dbraw/zinc/09/60/86/257096086.db2.gz BKPVZKNBQHVVLF-RHSMWYFYSA-N 1 2 368.437 2.781 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](OCc3ccncc3)C2)c(C#N)c1C ZINC000287563966 257096087 /nfs/dbraw/zinc/09/60/87/257096087.db2.gz BKPVZKNBQHVVLF-RHSMWYFYSA-N 1 2 368.437 2.781 20 30 FFEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3ccnc(C#N)c3)CC2)cs1 ZINC000288059406 257143968 /nfs/dbraw/zinc/14/39/68/257143968.db2.gz YFAXKNQGTZTFBU-CQSZACIVSA-N 1 2 357.483 2.829 20 30 FFEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3ccnc(C#N)c3)CC2)cs1 ZINC000288059406 257143970 /nfs/dbraw/zinc/14/39/70/257143970.db2.gz YFAXKNQGTZTFBU-CQSZACIVSA-N 1 2 357.483 2.829 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2ncc(C3OCCO3)s2)CC1 ZINC000289086257 257255301 /nfs/dbraw/zinc/25/53/01/257255301.db2.gz KXVJXKABXFZTCP-UHFFFAOYSA-N 1 2 370.478 2.772 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2ncc(C3OCCO3)s2)CC1 ZINC000289086257 257255303 /nfs/dbraw/zinc/25/53/03/257255303.db2.gz KXVJXKABXFZTCP-UHFFFAOYSA-N 1 2 370.478 2.772 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(C#N)c1C ZINC000290019098 257311638 /nfs/dbraw/zinc/31/16/38/257311638.db2.gz VADMWQMIEIRHGE-FZMZJTMJSA-N 1 2 361.833 2.892 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(C#N)c1C ZINC000290019098 257311639 /nfs/dbraw/zinc/31/16/39/257311639.db2.gz VADMWQMIEIRHGE-FZMZJTMJSA-N 1 2 361.833 2.892 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](Cc2ccco2)C2CCCC2)nc1 ZINC000290406432 257330337 /nfs/dbraw/zinc/33/03/37/257330337.db2.gz TZSJRXZEWWKDSR-UHFFFAOYSA-N 1 2 359.451 2.765 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](Cc2ccco2)C2CCCC2)nc1 ZINC000290406432 257330338 /nfs/dbraw/zinc/33/03/38/257330338.db2.gz TZSJRXZEWWKDSR-UHFFFAOYSA-N 1 2 359.451 2.765 20 30 FFEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000301280603 258039520 /nfs/dbraw/zinc/03/95/20/258039520.db2.gz TVWYCXBHDDTRNT-AWEZNQCLSA-N 1 2 360.889 2.781 20 30 FFEDLO N#Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000302217232 258095707 /nfs/dbraw/zinc/09/57/07/258095707.db2.gz PTOGYWBILGQPDI-QGZVFWFLSA-N 1 2 352.394 2.779 20 30 FFEDLO N#Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000302217232 258095709 /nfs/dbraw/zinc/09/57/09/258095709.db2.gz PTOGYWBILGQPDI-QGZVFWFLSA-N 1 2 352.394 2.779 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000303027430 258115167 /nfs/dbraw/zinc/11/51/67/258115167.db2.gz QFEPACQEWUFINU-CQSZACIVSA-N 1 2 364.380 2.967 20 30 FFEDLO C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)[C@H](c2ccccc2)C1 ZINC000331434009 258186121 /nfs/dbraw/zinc/18/61/21/258186121.db2.gz RQMCGQVJPKEIPG-IBGZPJMESA-N 1 2 373.453 2.516 20 30 FFEDLO C[N@H+]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)[C@H](c2ccccc2)C1 ZINC000331434009 258186122 /nfs/dbraw/zinc/18/61/22/258186122.db2.gz RQMCGQVJPKEIPG-IBGZPJMESA-N 1 2 373.453 2.516 20 30 FFEDLO CCN(CC[NH+]1CCCCCC1)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000332020320 258210723 /nfs/dbraw/zinc/21/07/23/258210723.db2.gz QRIXYUDRFUXESB-UHFFFAOYSA-N 1 2 362.499 2.719 20 30 FFEDLO N#Cc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1C(F)(F)F ZINC000332695586 258240463 /nfs/dbraw/zinc/24/04/63/258240463.db2.gz UYOUWHUQIBBTME-CQSZACIVSA-N 1 2 368.359 2.515 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1(C)C ZINC000333025165 258245547 /nfs/dbraw/zinc/24/55/47/258245547.db2.gz AKEQQDCHCQGZRD-AWEZNQCLSA-N 1 2 364.858 2.717 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1F ZINC000331807311 258201353 /nfs/dbraw/zinc/20/13/53/258201353.db2.gz RWFIQSCGFVHCNL-KRWDZBQOSA-N 1 2 365.474 2.524 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1F ZINC000331807311 258201354 /nfs/dbraw/zinc/20/13/54/258201354.db2.gz RWFIQSCGFVHCNL-KRWDZBQOSA-N 1 2 365.474 2.524 20 30 FFEDLO C=CCOc1ccc(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)cc1 ZINC000046719926 132302299 /nfs/dbraw/zinc/30/22/99/132302299.db2.gz ILFLGEAAIXSFMU-MRXNPFEDSA-N 1 2 367.449 2.802 20 30 FFEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000064795312 506226383 /nfs/dbraw/zinc/22/63/83/506226383.db2.gz YHHCXJJCHISGHB-ZYHUDNBSSA-N 1 2 361.667 2.934 20 30 FFEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000064795312 506226388 /nfs/dbraw/zinc/22/63/88/506226388.db2.gz YHHCXJJCHISGHB-ZYHUDNBSSA-N 1 2 361.667 2.934 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)Nc2cccnc2Cl)CC1 ZINC000052801121 506251386 /nfs/dbraw/zinc/25/13/86/506251386.db2.gz RWKHBDAFCOGYHC-UHFFFAOYSA-N 1 2 369.856 2.757 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@H+](CC(=O)Nc2cccnc2Cl)CC1 ZINC000052801121 506251396 /nfs/dbraw/zinc/25/13/96/506251396.db2.gz RWKHBDAFCOGYHC-UHFFFAOYSA-N 1 2 369.856 2.757 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCCSCc2ccccc2C#N)C1 ZINC000366814680 512199068 /nfs/dbraw/zinc/19/90/68/512199068.db2.gz NCHMIDNPHPMLRV-MRXNPFEDSA-N 1 2 369.494 2.724 20 30 FFEDLO N#CCSCC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000377377258 512242051 /nfs/dbraw/zinc/24/20/51/512242051.db2.gz JTENAZIMCLKMGY-UHFFFAOYSA-N 1 2 358.492 2.897 20 30 FFEDLO N#CCSCC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000377377258 512242053 /nfs/dbraw/zinc/24/20/53/512242053.db2.gz JTENAZIMCLKMGY-UHFFFAOYSA-N 1 2 358.492 2.897 20 30 FFEDLO C=CC[N@@H+](CCOc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066560116 506552033 /nfs/dbraw/zinc/55/20/33/506552033.db2.gz SPEBSZQDIVJLIM-CQSZACIVSA-N 1 2 374.300 2.503 20 30 FFEDLO C=CC[N@H+](CCOc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066560116 506552039 /nfs/dbraw/zinc/55/20/39/506552039.db2.gz SPEBSZQDIVJLIM-CQSZACIVSA-N 1 2 374.300 2.503 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559589 506552400 /nfs/dbraw/zinc/55/24/00/506552400.db2.gz HHVXHMXVXRQQNG-LJQANCHMSA-N 1 2 372.490 2.836 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559589 506552411 /nfs/dbraw/zinc/55/24/11/506552411.db2.gz HHVXHMXVXRQQNG-LJQANCHMSA-N 1 2 372.490 2.836 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)Cc1ccoc1C ZINC000055057952 506667763 /nfs/dbraw/zinc/66/77/63/506667763.db2.gz YISKEGIIQCYDLW-UHFFFAOYSA-N 1 2 372.469 2.985 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)Cc1ccoc1C ZINC000055057952 506667767 /nfs/dbraw/zinc/66/77/67/506667767.db2.gz YISKEGIIQCYDLW-UHFFFAOYSA-N 1 2 372.469 2.985 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000410564838 512295382 /nfs/dbraw/zinc/29/53/82/512295382.db2.gz ZJZJUPHJNVYDMH-UHFFFAOYSA-N 1 2 372.513 2.773 20 30 FFEDLO Cc1cccc(OCCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000043545399 506756171 /nfs/dbraw/zinc/75/61/71/506756171.db2.gz IRFCUAZNCQMGON-UHFFFAOYSA-N 1 2 363.461 2.980 20 30 FFEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3noc(C(C)C)n3)c2)n1 ZINC000067099208 506757440 /nfs/dbraw/zinc/75/74/40/506757440.db2.gz DRYXAYUNQMMOFD-UHFFFAOYSA-N 1 2 368.441 2.892 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)COCc3ccccc3)CCO2)c1 ZINC000371290863 512310391 /nfs/dbraw/zinc/31/03/91/512310391.db2.gz FUMYLCSFLGIPNQ-RTWAWAEBSA-N 1 2 352.434 2.509 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)COCc3ccccc3)CCO2)c1 ZINC000371290863 512310396 /nfs/dbraw/zinc/31/03/96/512310396.db2.gz FUMYLCSFLGIPNQ-RTWAWAEBSA-N 1 2 352.434 2.509 20 30 FFEDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000016624651 507097959 /nfs/dbraw/zinc/09/79/59/507097959.db2.gz VOBRTIRACDSHGK-QGZVFWFLSA-N 1 2 370.497 2.905 20 30 FFEDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000016624651 507097968 /nfs/dbraw/zinc/09/79/68/507097968.db2.gz VOBRTIRACDSHGK-QGZVFWFLSA-N 1 2 370.497 2.905 20 30 FFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000046485525 507143097 /nfs/dbraw/zinc/14/30/97/507143097.db2.gz XIJWTKCBTGZPOJ-CYBMUJFWSA-N 1 2 357.907 2.820 20 30 FFEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000060546681 507559345 /nfs/dbraw/zinc/55/93/45/507559345.db2.gz RFBTYTMFSMDOMD-UHFFFAOYSA-N 1 2 367.453 2.613 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCCc1c[nH]c2ccccc12 ZINC000060633692 507568547 /nfs/dbraw/zinc/56/85/47/507568547.db2.gz MKSXXOPOYKDXNL-UHFFFAOYSA-N 1 2 368.481 2.565 20 30 FFEDLO COc1cc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1C ZINC000027103372 507630291 /nfs/dbraw/zinc/63/02/91/507630291.db2.gz SGRXWVWMSHZIOE-UHFFFAOYSA-N 1 2 363.461 2.762 20 30 FFEDLO N#CCCCOc1cccnc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000369325913 512352813 /nfs/dbraw/zinc/35/28/13/512352813.db2.gz BCOSIHFKVVEUBD-MRXNPFEDSA-N 1 2 367.409 2.844 20 30 FFEDLO C=CC[N@H+](CC(=O)NC(=O)NC1CCCCC1)Cc1cccc(C#N)c1 ZINC000063300879 507713229 /nfs/dbraw/zinc/71/32/29/507713229.db2.gz TXXIOTMBHZKKTB-UHFFFAOYSA-N 1 2 354.454 2.705 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC(=O)NC1CCCCC1)Cc1cccc(C#N)c1 ZINC000063300879 507713234 /nfs/dbraw/zinc/71/32/34/507713234.db2.gz TXXIOTMBHZKKTB-UHFFFAOYSA-N 1 2 354.454 2.705 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000051052629 507727886 /nfs/dbraw/zinc/72/78/86/507727886.db2.gz LIZPJWFWJVWOBC-XJKSGUPXSA-N 1 2 374.485 2.723 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000051052629 507727888 /nfs/dbraw/zinc/72/78/88/507727888.db2.gz LIZPJWFWJVWOBC-XJKSGUPXSA-N 1 2 374.485 2.723 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1C#N ZINC000063586814 507747810 /nfs/dbraw/zinc/74/78/10/507747810.db2.gz RNCOINGVUBCJLI-INIZCTEOSA-N 1 2 370.478 2.722 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028961131 507752481 /nfs/dbraw/zinc/75/24/81/507752481.db2.gz PYBIQTFTBSOSFF-NQIIRXRSSA-N 1 2 368.525 2.761 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028961131 507752487 /nfs/dbraw/zinc/75/24/87/507752487.db2.gz PYBIQTFTBSOSFF-NQIIRXRSSA-N 1 2 368.525 2.761 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3csc(-c4ccccn4)n3)CC2)c1 ZINC000029448544 507778321 /nfs/dbraw/zinc/77/83/21/507778321.db2.gz NKBRVIJANSBBOX-UHFFFAOYSA-N 1 2 362.462 2.794 20 30 FFEDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000051621476 507778663 /nfs/dbraw/zinc/77/86/63/507778663.db2.gz NFBRRXCNAGNYGE-WIYYLYMNSA-N 1 2 368.525 2.713 20 30 FFEDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000051621476 507778666 /nfs/dbraw/zinc/77/86/66/507778666.db2.gz NFBRRXCNAGNYGE-WIYYLYMNSA-N 1 2 368.525 2.713 20 30 FFEDLO CC(C)CN(C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000051621526 507778796 /nfs/dbraw/zinc/77/87/96/507778796.db2.gz YZVQNFYRQVONNQ-UHFFFAOYSA-N 1 2 356.514 2.569 20 30 FFEDLO CC(C)CN(C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000051621526 507778798 /nfs/dbraw/zinc/77/87/98/507778798.db2.gz YZVQNFYRQVONNQ-UHFFFAOYSA-N 1 2 356.514 2.569 20 30 FFEDLO CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029449964 507779241 /nfs/dbraw/zinc/77/92/41/507779241.db2.gz MMPWHZXWAFSADV-INIZCTEOSA-N 1 2 363.465 2.665 20 30 FFEDLO C[C@@H](C1CC1)N(C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1)C1CC1 ZINC000052640898 507816654 /nfs/dbraw/zinc/81/66/54/507816654.db2.gz OTEANMZAMDFEBZ-HNNXBMFYSA-N 1 2 370.472 2.609 20 30 FFEDLO CC(C)[C@H]1C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCS1 ZINC000072836294 507860766 /nfs/dbraw/zinc/86/07/66/507860766.db2.gz RMOFGEZZLZXMMB-WMLDXEAASA-N 1 2 370.478 2.585 20 30 FFEDLO CC(C)[C@H]1C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCS1 ZINC000072836294 507860767 /nfs/dbraw/zinc/86/07/67/507860767.db2.gz RMOFGEZZLZXMMB-WMLDXEAASA-N 1 2 370.478 2.585 20 30 FFEDLO N#Cc1ccc(OCC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000109242653 507949874 /nfs/dbraw/zinc/94/98/74/507949874.db2.gz RVVZMSKVINZXAA-UHFFFAOYSA-N 1 2 362.389 2.851 20 30 FFEDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000091081666 507951802 /nfs/dbraw/zinc/95/18/02/507951802.db2.gz HNHLCYVDIUEVHY-QGZVFWFLSA-N 1 2 358.467 2.509 20 30 FFEDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000091081666 507951803 /nfs/dbraw/zinc/95/18/03/507951803.db2.gz HNHLCYVDIUEVHY-QGZVFWFLSA-N 1 2 358.467 2.509 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000079503445 507969225 /nfs/dbraw/zinc/96/92/25/507969225.db2.gz JJIFONQFTMVCEF-RTWAWAEBSA-N 1 2 363.461 2.808 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000079503445 507969228 /nfs/dbraw/zinc/96/92/28/507969228.db2.gz JJIFONQFTMVCEF-RTWAWAEBSA-N 1 2 363.461 2.808 20 30 FFEDLO C[S@@](=O)c1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1 ZINC000091918340 508024226 /nfs/dbraw/zinc/02/42/26/508024226.db2.gz SNKNSDOAAFYSOB-VWLOTQADSA-N 1 2 357.454 2.757 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(OC)ccc2OCOC)c1 ZINC000092143670 508046280 /nfs/dbraw/zinc/04/62/80/508046280.db2.gz WWSYOESAQCKUQR-UHFFFAOYSA-N 1 2 368.433 2.730 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(OC)ccc2OCOC)c1 ZINC000092143670 508046283 /nfs/dbraw/zinc/04/62/83/508046283.db2.gz WWSYOESAQCKUQR-UHFFFAOYSA-N 1 2 368.433 2.730 20 30 FFEDLO CC(C)COc1ccccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000080170047 508046907 /nfs/dbraw/zinc/04/69/07/508046907.db2.gz RZUCAOQJMCWSQD-UHFFFAOYSA-N 1 2 374.485 2.801 20 30 FFEDLO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cc(C#N)cs1 ZINC000092512396 508077242 /nfs/dbraw/zinc/07/72/42/508077242.db2.gz TWBADJCYDIYZQK-UHFFFAOYSA-N 1 2 364.492 2.924 20 30 FFEDLO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cc(C#N)cs1 ZINC000092512396 508077245 /nfs/dbraw/zinc/07/72/45/508077245.db2.gz TWBADJCYDIYZQK-UHFFFAOYSA-N 1 2 364.492 2.924 20 30 FFEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000111250940 508082490 /nfs/dbraw/zinc/08/24/90/508082490.db2.gz FSTBCPHGCZIWQY-UHFFFAOYSA-N 1 2 353.470 2.750 20 30 FFEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000111250940 508082492 /nfs/dbraw/zinc/08/24/92/508082492.db2.gz FSTBCPHGCZIWQY-UHFFFAOYSA-N 1 2 353.470 2.750 20 30 FFEDLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+]1CCN(CC#N)CC1 ZINC000092936165 508109068 /nfs/dbraw/zinc/10/90/68/508109068.db2.gz UXXXLUSZNUDASG-UHFFFAOYSA-N 1 2 357.889 2.843 20 30 FFEDLO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000080904397 508110495 /nfs/dbraw/zinc/11/04/95/508110495.db2.gz CEKQQMANXBOEFF-UXHICEINSA-N 1 2 354.498 2.660 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CCN(Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000080907577 508110680 /nfs/dbraw/zinc/11/06/80/508110680.db2.gz QZUNFGFRTRKZND-INIZCTEOSA-N 1 2 363.387 2.828 20 30 FFEDLO CN(C(=O)CN1CC[NH+](Cc2cc(C#N)cs2)CC1)C1CCCCC1 ZINC000093052865 508117767 /nfs/dbraw/zinc/11/77/67/508117767.db2.gz PJZWIEPIPSWPME-UHFFFAOYSA-N 1 2 360.527 2.528 20 30 FFEDLO C=C(C)COc1cc(C[NH+]2CCN(Cc3nccn3C)CC2)ccc1OC ZINC000093132035 508123254 /nfs/dbraw/zinc/12/32/54/508123254.db2.gz LPXATOGHOOEGPD-UHFFFAOYSA-N 1 2 370.497 2.701 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000093333972 508139972 /nfs/dbraw/zinc/13/99/72/508139972.db2.gz KNKXSANVDAMQAO-WWGRRREGSA-N 1 2 361.511 2.918 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000093333972 508139975 /nfs/dbraw/zinc/13/99/75/508139975.db2.gz KNKXSANVDAMQAO-WWGRRREGSA-N 1 2 361.511 2.918 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(OCC(F)(F)F)c1 ZINC000081158112 508142274 /nfs/dbraw/zinc/14/22/74/508142274.db2.gz UQLDQMCOYKNORE-UHFFFAOYSA-N 1 2 371.403 2.676 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1coc(-c2ccc(F)cc2)n1 ZINC000081158442 508142343 /nfs/dbraw/zinc/14/23/43/508142343.db2.gz YBCCRZAOKBSITL-UHFFFAOYSA-N 1 2 358.417 2.529 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000083169943 508238468 /nfs/dbraw/zinc/23/84/68/508238468.db2.gz FEGKEHKTCCYZMD-HNAYVOBHSA-N 1 2 371.481 2.645 20 30 FFEDLO CCC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1ccccc1 ZINC000101549106 508244395 /nfs/dbraw/zinc/24/43/95/508244395.db2.gz BBPMQYOYRNPWBJ-IRXDYDNUSA-N 1 2 358.486 2.734 20 30 FFEDLO CCC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1ccccc1 ZINC000101549106 508244398 /nfs/dbraw/zinc/24/43/98/508244398.db2.gz BBPMQYOYRNPWBJ-IRXDYDNUSA-N 1 2 358.486 2.734 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)c3cc(C#N)cs3)c[nH+]2)C[C@H](C)O1 ZINC000084083338 508264808 /nfs/dbraw/zinc/26/48/08/508264808.db2.gz WVZDFAKZWLPABC-STQMWFEESA-N 1 2 356.451 2.558 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000084501191 508281576 /nfs/dbraw/zinc/28/15/76/508281576.db2.gz SRIZZKUNEAZTJJ-HNNXBMFYSA-N 1 2 358.388 2.829 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000084501191 508281578 /nfs/dbraw/zinc/28/15/78/508281578.db2.gz SRIZZKUNEAZTJJ-HNNXBMFYSA-N 1 2 358.388 2.829 20 30 FFEDLO CC(C)[C@@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000103077996 508295448 /nfs/dbraw/zinc/29/54/48/508295448.db2.gz QZFMPPPFYQKHFZ-HXUWFJFHSA-N 1 2 357.498 2.891 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000077385231 508309138 /nfs/dbraw/zinc/30/91/38/508309138.db2.gz LGSZEMBRCLEVGO-UHFFFAOYSA-N 1 2 366.446 2.590 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)C2=O)cc1 ZINC000088606616 508379051 /nfs/dbraw/zinc/37/90/51/508379051.db2.gz UQFNJBUBAAENDW-LJQANCHMSA-N 1 2 362.389 2.630 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)C2=O)cc1 ZINC000088606616 508379052 /nfs/dbraw/zinc/37/90/52/508379052.db2.gz UQFNJBUBAAENDW-LJQANCHMSA-N 1 2 362.389 2.630 20 30 FFEDLO COc1ccc([C@H](CNc2nc(C)ccc2C#N)[NH+]2CCOCC2)cc1 ZINC000127502857 508459634 /nfs/dbraw/zinc/45/96/34/508459634.db2.gz JGCINVMQTLUSQY-IBGZPJMESA-N 1 2 352.438 2.756 20 30 FFEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000127691079 508486938 /nfs/dbraw/zinc/48/69/38/508486938.db2.gz KVYHKCXHSAJZHO-CYBMUJFWSA-N 1 2 368.403 2.614 20 30 FFEDLO Cc1nc(CC(N)=[NH+]OCc2nc(-c3ccc(F)c(C)c3)no2)cs1 ZINC000153338508 508574020 /nfs/dbraw/zinc/57/40/20/508574020.db2.gz HWDAZROEJQRMEW-UHFFFAOYSA-N 1 2 361.402 2.981 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157628045 508589567 /nfs/dbraw/zinc/58/95/67/508589567.db2.gz GXSQAZFILOPDKK-OXJNMPFZSA-N 1 2 359.445 2.775 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157628045 508589569 /nfs/dbraw/zinc/58/95/69/508589569.db2.gz GXSQAZFILOPDKK-OXJNMPFZSA-N 1 2 359.445 2.775 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c2ccccc21 ZINC000135571242 508625655 /nfs/dbraw/zinc/62/56/55/508625655.db2.gz OBSFZCFVDPJRNN-AZUAARDMSA-N 1 2 369.490 2.944 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c2ccccc21 ZINC000135571242 508625658 /nfs/dbraw/zinc/62/56/58/508625658.db2.gz OBSFZCFVDPJRNN-AZUAARDMSA-N 1 2 369.490 2.944 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000158191958 508669850 /nfs/dbraw/zinc/66/98/50/508669850.db2.gz XSKYLBAXCRPOCT-QGZVFWFLSA-N 1 2 370.280 2.596 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000158191958 508669854 /nfs/dbraw/zinc/66/98/54/508669854.db2.gz XSKYLBAXCRPOCT-QGZVFWFLSA-N 1 2 370.280 2.596 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCOC2(CCCC2)C1 ZINC000158330283 508689485 /nfs/dbraw/zinc/68/94/85/508689485.db2.gz UFZVLQHGYXEONL-QGZVFWFLSA-N 1 2 371.481 2.975 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCOC2(CCCC2)C1 ZINC000158330283 508689488 /nfs/dbraw/zinc/68/94/88/508689488.db2.gz UFZVLQHGYXEONL-QGZVFWFLSA-N 1 2 371.481 2.975 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCOC2(CCC2)C1 ZINC000154126180 508721890 /nfs/dbraw/zinc/72/18/90/508721890.db2.gz PIWVQFPHEPKIRC-INIZCTEOSA-N 1 2 357.454 2.585 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCOC2(CCC2)C1 ZINC000154126180 508721892 /nfs/dbraw/zinc/72/18/92/508721892.db2.gz PIWVQFPHEPKIRC-INIZCTEOSA-N 1 2 357.454 2.585 20 30 FFEDLO C[C@H](CC#N)N(C)C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000136998723 508730738 /nfs/dbraw/zinc/73/07/38/508730738.db2.gz VVBOTEDEJAKGPQ-CQSZACIVSA-N 1 2 352.438 2.917 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@](C)(O)C2)c1C#N ZINC000124281731 508809446 /nfs/dbraw/zinc/80/94/46/508809446.db2.gz PTXOODDMAAFNNG-HXUWFJFHSA-N 1 2 358.486 2.877 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@@](C)(O)C2)c1C#N ZINC000124281731 508809450 /nfs/dbraw/zinc/80/94/50/508809450.db2.gz PTXOODDMAAFNNG-HXUWFJFHSA-N 1 2 358.486 2.877 20 30 FFEDLO N#Cc1cc(F)c(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)c(F)c1 ZINC000124458317 508835411 /nfs/dbraw/zinc/83/54/11/508835411.db2.gz SOSDVMGRYZQZGP-UHFFFAOYSA-N 1 2 374.372 2.501 20 30 FFEDLO Cc1cccc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1C#N ZINC000130740159 508839961 /nfs/dbraw/zinc/83/99/61/508839961.db2.gz MTBKYIPYTRMISK-GOSISDBHSA-N 1 2 355.463 2.544 20 30 FFEDLO Cc1cccc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1C#N ZINC000130740159 508839965 /nfs/dbraw/zinc/83/99/65/508839965.db2.gz MTBKYIPYTRMISK-GOSISDBHSA-N 1 2 355.463 2.544 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)N2CCN(c3cc(C)cc[nH+]3)CC2)c(C#N)c1C ZINC000119956768 508897684 /nfs/dbraw/zinc/89/76/84/508897684.db2.gz NAPTWFTWSIZPKA-HNNXBMFYSA-N 1 2 367.453 2.621 20 30 FFEDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1F ZINC000151212359 508979586 /nfs/dbraw/zinc/97/95/86/508979586.db2.gz GJYNHDCDFAZTPB-HNNXBMFYSA-N 1 2 373.453 2.592 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1F ZINC000151212359 508979590 /nfs/dbraw/zinc/97/95/90/508979590.db2.gz GJYNHDCDFAZTPB-HNNXBMFYSA-N 1 2 373.453 2.592 20 30 FFEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN([C@@H](C)c2cccnc2)CC1 ZINC000120538208 509016652 /nfs/dbraw/zinc/01/66/52/509016652.db2.gz QIAPLKQLZSTKAA-KRWDZBQOSA-N 1 2 366.465 2.719 20 30 FFEDLO CC(C)(CCC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000151649173 509059296 /nfs/dbraw/zinc/05/92/96/509059296.db2.gz QJIOTTUVEBXJIH-UHFFFAOYSA-N 1 2 357.498 2.819 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CSc2ccc(C#N)cc2)C1 ZINC000120829077 509071941 /nfs/dbraw/zinc/07/19/41/509071941.db2.gz ZLSZOMAHXIPKLG-INIZCTEOSA-N 1 2 354.479 2.865 20 30 FFEDLO C=CCc1cc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc(OC)c1OC ZINC000151868343 509100669 /nfs/dbraw/zinc/10/06/69/509100669.db2.gz PEEUHTICJSEATD-INIZCTEOSA-N 1 2 355.438 2.508 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCN(c4cccs4)CC3)C2=O)cc1 ZINC000121331025 509167082 /nfs/dbraw/zinc/16/70/82/509167082.db2.gz FCRHOPQIYGNUKA-KRWDZBQOSA-N 1 2 352.463 2.547 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CSC[C@H]3CCCCO3)CC2)cc1 ZINC000263846470 509183958 /nfs/dbraw/zinc/18/39/58/509183958.db2.gz LAEHVYLVENFMAQ-LJQANCHMSA-N 1 2 373.522 2.505 20 30 FFEDLO CS(=O)(=O)Nc1cccc2c1CC[N@H+](CC#Cc1ccc(F)cc1)C2 ZINC000178923442 509184113 /nfs/dbraw/zinc/18/41/13/509184113.db2.gz XUAJIZOTHATACX-UHFFFAOYSA-N 1 2 358.438 2.607 20 30 FFEDLO CS(=O)(=O)Nc1cccc2c1CC[N@@H+](CC#Cc1ccc(F)cc1)C2 ZINC000178923442 509184116 /nfs/dbraw/zinc/18/41/16/509184116.db2.gz XUAJIZOTHATACX-UHFFFAOYSA-N 1 2 358.438 2.607 20 30 FFEDLO Cn1cc(C#N)cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000178948277 509197762 /nfs/dbraw/zinc/19/77/62/509197762.db2.gz UBCWESMIWIUZTC-DOTOQJQBSA-N 1 2 360.820 2.864 20 30 FFEDLO Cn1cc(C#N)cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000178948277 509197769 /nfs/dbraw/zinc/19/77/69/509197769.db2.gz UBCWESMIWIUZTC-DOTOQJQBSA-N 1 2 360.820 2.864 20 30 FFEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H]1C ZINC000191840426 509206817 /nfs/dbraw/zinc/20/68/17/509206817.db2.gz FDXLRQJIOIDLBH-HOTGVXAUSA-N 1 2 367.449 2.869 20 30 FFEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H]1C ZINC000191840426 509206823 /nfs/dbraw/zinc/20/68/23/509206823.db2.gz FDXLRQJIOIDLBH-HOTGVXAUSA-N 1 2 367.449 2.869 20 30 FFEDLO N#Cc1ccc(CC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000188769245 509253590 /nfs/dbraw/zinc/25/35/90/509253590.db2.gz NJZYTUKKDTXDBP-UHFFFAOYSA-N 1 2 353.853 2.929 20 30 FFEDLO N#Cc1ccc(CC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000188769245 509253598 /nfs/dbraw/zinc/25/35/98/509253598.db2.gz NJZYTUKKDTXDBP-UHFFFAOYSA-N 1 2 353.853 2.929 20 30 FFEDLO CCN(CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C[C@@H](C)C#N ZINC000179276467 509351052 /nfs/dbraw/zinc/35/10/52/509351052.db2.gz GCJVZMNLMABVMX-HNNXBMFYSA-N 1 2 363.531 2.795 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](Cc2cccc(O)c2)CC2CC2)cc1 ZINC000176221697 509386620 /nfs/dbraw/zinc/38/66/20/509386620.db2.gz WJYVNBSYJZBWEY-UHFFFAOYSA-N 1 2 370.474 2.950 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](Cc2cccc(O)c2)CC2CC2)cc1 ZINC000176221697 509386625 /nfs/dbraw/zinc/38/66/25/509386625.db2.gz WJYVNBSYJZBWEY-UHFFFAOYSA-N 1 2 370.474 2.950 20 30 FFEDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000248629126 509399995 /nfs/dbraw/zinc/39/99/95/509399995.db2.gz PWTISMFFOHMDFJ-CVEARBPZSA-N 1 2 357.454 2.939 20 30 FFEDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000248629126 509399998 /nfs/dbraw/zinc/39/99/98/509399998.db2.gz PWTISMFFOHMDFJ-CVEARBPZSA-N 1 2 357.454 2.939 20 30 FFEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(F)cc3C#N)CC2)n1 ZINC000267323284 509447934 /nfs/dbraw/zinc/44/79/34/509447934.db2.gz AOCNTACYYQRUMY-CYBMUJFWSA-N 1 2 359.405 2.500 20 30 FFEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3ccc(F)cc3C#N)CC2)n1 ZINC000267323284 509447940 /nfs/dbraw/zinc/44/79/40/509447940.db2.gz AOCNTACYYQRUMY-CYBMUJFWSA-N 1 2 359.405 2.500 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182843288 509457470 /nfs/dbraw/zinc/45/74/70/509457470.db2.gz RICPDAPPDNRMGV-BBRMVZONSA-N 1 2 371.407 2.593 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182843288 509457474 /nfs/dbraw/zinc/45/74/74/509457474.db2.gz RICPDAPPDNRMGV-BBRMVZONSA-N 1 2 371.407 2.593 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000173219981 509463402 /nfs/dbraw/zinc/46/34/02/509463402.db2.gz HJINMVKKBRMDON-IUCAKERBSA-N 1 2 364.393 2.603 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192467240 509530470 /nfs/dbraw/zinc/53/04/70/509530470.db2.gz UNBGMQQGKZFEQN-HNNXBMFYSA-N 1 2 359.445 2.729 20 30 FFEDLO C=CCC[C@@H](C(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)c1ccccc1 ZINC000186234765 509591430 /nfs/dbraw/zinc/59/14/30/509591430.db2.gz IGCXPSWWONZKFI-HXUWFJFHSA-N 1 2 369.509 2.503 20 30 FFEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000192693363 509601941 /nfs/dbraw/zinc/60/19/41/509601941.db2.gz DQHXSHIXWVVAPZ-QGZVFWFLSA-N 1 2 353.809 2.976 20 30 FFEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000192693363 509601946 /nfs/dbraw/zinc/60/19/46/509601946.db2.gz DQHXSHIXWVVAPZ-QGZVFWFLSA-N 1 2 353.809 2.976 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1c1cccn1C ZINC000249417501 509675752 /nfs/dbraw/zinc/67/57/52/509675752.db2.gz ZVRPJTUTSVJHPM-UYAOXDASSA-N 1 2 356.466 2.567 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1c1cccn1C ZINC000249417501 509675757 /nfs/dbraw/zinc/67/57/57/509675757.db2.gz ZVRPJTUTSVJHPM-UYAOXDASSA-N 1 2 356.466 2.567 20 30 FFEDLO CCOC(=O)c1nn(C)cc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000186399552 509690569 /nfs/dbraw/zinc/69/05/69/509690569.db2.gz GENCCMZHKYKZGL-UHFFFAOYSA-N 1 2 365.355 2.757 20 30 FFEDLO N#CCCCOc1cccnc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000186446540 509713046 /nfs/dbraw/zinc/71/30/46/509713046.db2.gz FJKOGGIOYMWZEM-UHFFFAOYSA-N 1 2 366.425 2.513 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c(Cl)c1 ZINC000180121485 509763926 /nfs/dbraw/zinc/76/39/26/509763926.db2.gz BIZDZHFXBNYHBR-CYBMUJFWSA-N 1 2 350.831 2.851 20 30 FFEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000183408526 509769940 /nfs/dbraw/zinc/76/99/40/509769940.db2.gz QJMJDPHDUJNYPH-HZPDHXFCSA-N 1 2 369.868 2.680 20 30 FFEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000183408526 509769949 /nfs/dbraw/zinc/76/99/49/509769949.db2.gz QJMJDPHDUJNYPH-HZPDHXFCSA-N 1 2 369.868 2.680 20 30 FFEDLO CCc1nnc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c(C#N)c1CC ZINC000268227889 509824858 /nfs/dbraw/zinc/82/48/58/509824858.db2.gz RTECSPSGXWGSOR-AWEZNQCLSA-N 1 2 366.469 2.705 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)c2cccc(F)c2C#N)[NH+]2CCOCC2)c1 ZINC000186680019 509847335 /nfs/dbraw/zinc/84/73/35/509847335.db2.gz SQBGGOJKEZIYEM-FQEVSTJZSA-N 1 2 367.424 2.809 20 30 FFEDLO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000245199576 509879986 /nfs/dbraw/zinc/87/99/86/509879986.db2.gz ILFKOWMTEYWVPF-KSZLIROESA-N 1 2 354.498 2.858 20 30 FFEDLO COc1cccc(C=C2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)c1 ZINC000268421366 509919104 /nfs/dbraw/zinc/91/91/04/509919104.db2.gz CVKSLXCPXUYMDD-NRFANRHFSA-N 1 2 353.466 2.983 20 30 FFEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)n2)cc1 ZINC000268489098 509965195 /nfs/dbraw/zinc/96/51/95/509965195.db2.gz NFDIXNILDZHBTJ-KGLIPLIRSA-N 1 2 355.442 2.710 20 30 FFEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000186954021 509971333 /nfs/dbraw/zinc/97/13/33/509971333.db2.gz AIEQVVNWAIDTSX-OAHLLOKOSA-N 1 2 374.916 2.777 20 30 FFEDLO COC(=O)C[N@H+](CCC(=O)Nc1ccccc1C#N)CCc1ccccc1 ZINC000180571275 509990087 /nfs/dbraw/zinc/99/00/87/509990087.db2.gz DPOBSXJBNULCOR-UHFFFAOYSA-N 1 2 365.433 2.605 20 30 FFEDLO COC(=O)C[N@@H+](CCC(=O)Nc1ccccc1C#N)CCc1ccccc1 ZINC000180571275 509990095 /nfs/dbraw/zinc/99/00/95/509990095.db2.gz DPOBSXJBNULCOR-UHFFFAOYSA-N 1 2 365.433 2.605 20 30 FFEDLO CS(=O)(=O)Nc1cccc2c1CC[N@H+](Cc1cc(C#N)ccc1F)C2 ZINC000193794850 510074911 /nfs/dbraw/zinc/07/49/11/510074911.db2.gz LMZSAIDLBIRXJF-UHFFFAOYSA-N 1 2 359.426 2.627 20 30 FFEDLO CS(=O)(=O)Nc1cccc2c1CC[N@@H+](Cc1cc(C#N)ccc1F)C2 ZINC000193794850 510074917 /nfs/dbraw/zinc/07/49/17/510074917.db2.gz LMZSAIDLBIRXJF-UHFFFAOYSA-N 1 2 359.426 2.627 20 30 FFEDLO CS(=O)(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(C#N)cc1F)C2 ZINC000193794833 510075041 /nfs/dbraw/zinc/07/50/41/510075041.db2.gz NSIMOCXHJGSWRE-UHFFFAOYSA-N 1 2 359.426 2.627 20 30 FFEDLO CS(=O)(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(C#N)cc1F)C2 ZINC000193794833 510075047 /nfs/dbraw/zinc/07/50/47/510075047.db2.gz NSIMOCXHJGSWRE-UHFFFAOYSA-N 1 2 359.426 2.627 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)O[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000177479311 510084692 /nfs/dbraw/zinc/08/46/92/510084692.db2.gz WHPQTUPCQFXMNQ-INIZCTEOSA-N 1 2 373.501 2.522 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245737825 510118241 /nfs/dbraw/zinc/11/82/41/510118241.db2.gz KXIAFOMWDXVBEU-XJKSGUPXSA-N 1 2 364.453 2.760 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245737825 510118246 /nfs/dbraw/zinc/11/82/46/510118246.db2.gz KXIAFOMWDXVBEU-XJKSGUPXSA-N 1 2 364.453 2.760 20 30 FFEDLO C=CC[NH+]1CCC(NC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)CC1 ZINC000194052407 510194250 /nfs/dbraw/zinc/19/42/50/510194250.db2.gz OXONYRKVZHXJST-UHFFFAOYSA-N 1 2 360.845 2.612 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190573682 510215078 /nfs/dbraw/zinc/21/50/78/510215078.db2.gz XMEISAAOLHCYBO-UHFFFAOYSA-N 1 2 360.414 2.636 20 30 FFEDLO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)c(F)c1O ZINC000190608846 510238236 /nfs/dbraw/zinc/23/82/36/510238236.db2.gz LYCIPOCMQCMWBC-PXAZEXFGSA-N 1 2 371.387 2.994 20 30 FFEDLO Cc1csc(NC(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000171609766 510250694 /nfs/dbraw/zinc/25/06/94/510250694.db2.gz RGVBGNIYALAHHL-UHFFFAOYSA-N 1 2 356.451 2.805 20 30 FFEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000184349762 510276953 /nfs/dbraw/zinc/27/69/53/510276953.db2.gz WGNYPUWHXSIRLL-SJORKVTESA-N 1 2 372.469 2.696 20 30 FFEDLO N#Cc1cccc(CNC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000177927262 510331480 /nfs/dbraw/zinc/33/14/80/510331480.db2.gz MQCYJVQWMJOMKM-UHFFFAOYSA-N 1 2 352.413 2.725 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2ccc(OCC#N)cc2)c1C ZINC000171768368 510357210 /nfs/dbraw/zinc/35/72/10/510357210.db2.gz IEXBDIJVWVLNDZ-UHFFFAOYSA-N 1 2 353.422 2.811 20 30 FFEDLO C=CCC[C@@H](C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000187644872 510368425 /nfs/dbraw/zinc/36/84/25/510368425.db2.gz DCDXXNVLEORGTO-YLJYHZDGSA-N 1 2 369.509 2.548 20 30 FFEDLO COCc1cccc(CO[NH+]=C(N)c2ccc(-n3nc(C)cc3C)nc2)c1 ZINC000269473031 510423462 /nfs/dbraw/zinc/42/34/62/510423462.db2.gz MAPWDANXRSNHPD-UHFFFAOYSA-N 1 2 365.437 2.868 20 30 FFEDLO C=CCSCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000194635882 510457962 /nfs/dbraw/zinc/45/79/62/510457962.db2.gz DIKNABLVLCAMHM-INIZCTEOSA-N 1 2 360.483 2.737 20 30 FFEDLO CCOc1ccccc1NC(=O)[C@H](C)O[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000269867550 510576052 /nfs/dbraw/zinc/57/60/52/510576052.db2.gz LNKHDPWWFXXLMG-ZDUSSCGKSA-N 1 2 369.421 2.684 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000184941987 510596077 /nfs/dbraw/zinc/59/60/77/510596077.db2.gz PCMUYGDEJCFKHF-QGZVFWFLSA-N 1 2 360.820 2.601 20 30 FFEDLO COC(=O)c1ccccc1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194964972 510610392 /nfs/dbraw/zinc/61/03/92/510610392.db2.gz APPIYLGZESHNMW-UHFFFAOYSA-N 1 2 363.417 2.948 20 30 FFEDLO COC(=O)c1ccccc1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194964972 510610396 /nfs/dbraw/zinc/61/03/96/510610396.db2.gz APPIYLGZESHNMW-UHFFFAOYSA-N 1 2 363.417 2.948 20 30 FFEDLO CC#CCCCC(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000185023144 510640920 /nfs/dbraw/zinc/64/09/20/510640920.db2.gz KNVAZAPQTNCECE-UHFFFAOYSA-N 1 2 352.482 2.789 20 30 FFEDLO CC/C(=C\C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccc(OC)cc1 ZINC000178525735 510644920 /nfs/dbraw/zinc/64/49/20/510644920.db2.gz MVBAOPZNSVODLK-ISLYRVAYSA-N 1 2 371.481 2.563 20 30 FFEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nc(-c2cccc(F)c2)no1 ZINC000185072702 510669070 /nfs/dbraw/zinc/66/90/70/510669070.db2.gz OUTSWVYQJZJYTI-ZDUSSCGKSA-N 1 2 371.416 2.869 20 30 FFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000185119243 510694618 /nfs/dbraw/zinc/69/46/18/510694618.db2.gz WPFAUWCQVJBRIV-ZDUSSCGKSA-N 1 2 350.831 2.851 20 30 FFEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCc3ncc(C4CC4)o3)cn2)n1 ZINC000270429580 510806091 /nfs/dbraw/zinc/80/60/91/510806091.db2.gz CMRROTSHLMTWSA-UHFFFAOYSA-N 1 2 352.398 2.587 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000247101219 510834987 /nfs/dbraw/zinc/83/49/87/510834987.db2.gz QJASVCAJCVILFR-SGANQWHYSA-N 1 2 361.511 2.587 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000247101219 510834990 /nfs/dbraw/zinc/83/49/90/510834990.db2.gz QJASVCAJCVILFR-SGANQWHYSA-N 1 2 361.511 2.587 20 30 FFEDLO CSc1nnc(CNC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000329915540 510877379 /nfs/dbraw/zinc/87/73/79/510877379.db2.gz DDPCURPEDMXDTN-GVXVVHGQSA-N 1 2 358.533 2.850 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)C1CCC(O)CC1 ZINC000329963721 510887997 /nfs/dbraw/zinc/88/79/97/510887997.db2.gz UCQVOHHKFHYDKY-PYBGIAKNSA-N 1 2 353.438 2.711 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)C1CCC(O)CC1 ZINC000329963721 510888005 /nfs/dbraw/zinc/88/80/05/510888005.db2.gz UCQVOHHKFHYDKY-PYBGIAKNSA-N 1 2 353.438 2.711 20 30 FFEDLO CCC1(CC)Oc2ccc(NC(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)cc2O1 ZINC000329962270 510889007 /nfs/dbraw/zinc/88/90/07/510889007.db2.gz SADUIYRKNPEDOP-YOEHRIQHSA-N 1 2 361.442 2.534 20 30 FFEDLO CCC1(CC)Oc2ccc(NC(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)cc2O1 ZINC000329962270 510889010 /nfs/dbraw/zinc/88/90/10/510889010.db2.gz SADUIYRKNPEDOP-YOEHRIQHSA-N 1 2 361.442 2.534 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2COc3ccccc3C2)cn1 ZINC000329993401 510896187 /nfs/dbraw/zinc/89/61/87/510896187.db2.gz YKADHVGWAPUJBL-BZSNNMDCSA-N 1 2 372.444 2.540 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2COc3ccccc3C2)cn1 ZINC000329993401 510896192 /nfs/dbraw/zinc/89/61/92/510896192.db2.gz YKADHVGWAPUJBL-BZSNNMDCSA-N 1 2 372.444 2.540 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C([O-])=[NH+][C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)CC2)cc1 ZINC000330067998 510910046 /nfs/dbraw/zinc/91/00/46/510910046.db2.gz VABTYGQNEXQIKM-BHIFYINESA-N 1 2 372.472 2.928 20 30 FFEDLO Cc1nc(N2CCN(C(=O)NC[C@H]3CCC4(CCCCC4)O3)CC2)cc[nH+]1 ZINC000330110063 510918425 /nfs/dbraw/zinc/91/84/25/510918425.db2.gz QBESEAHYHXIMLK-QGZVFWFLSA-N 1 2 373.501 2.703 20 30 FFEDLO C[C@@H](C(=O)NCC(F)(F)F)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285473780 510920769 /nfs/dbraw/zinc/92/07/69/510920769.db2.gz KWWZTICJZURXPR-NSHDSACASA-N 1 2 373.350 2.608 20 30 FFEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)C[C@@]2(CCOC2)O1 ZINC000330159928 510927258 /nfs/dbraw/zinc/92/72/58/510927258.db2.gz RKXWXLVIOLUZSI-ZBQZNYHESA-N 1 2 362.426 2.662 20 30 FFEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)C[C@@]2(CCOC2)O1 ZINC000330159928 510927260 /nfs/dbraw/zinc/92/72/60/510927260.db2.gz RKXWXLVIOLUZSI-ZBQZNYHESA-N 1 2 362.426 2.662 20 30 FFEDLO Cc1cn2c(n1)[C@H](CNC(=O)c1ccccc1C[NH+]1CCOCC1)CCC2 ZINC000330180704 510930841 /nfs/dbraw/zinc/93/08/41/510930841.db2.gz GDPVSQIWZVPQNK-KRWDZBQOSA-N 1 2 368.481 2.906 20 30 FFEDLO Cc1ccc(C)c(N2CCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CC2)c1 ZINC000330199518 510935150 /nfs/dbraw/zinc/93/51/50/510935150.db2.gz VNRVJQFBZLNGSY-KRWDZBQOSA-N 1 2 353.470 2.551 20 30 FFEDLO Cc1ccc(C)c(N2CCN(C(=O)N[C@H]3CCn4cc[nH+]c4C3)CC2)c1 ZINC000330199518 510935154 /nfs/dbraw/zinc/93/51/54/510935154.db2.gz VNRVJQFBZLNGSY-KRWDZBQOSA-N 1 2 353.470 2.551 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000276452472 510939309 /nfs/dbraw/zinc/93/93/09/510939309.db2.gz XTSSVUFOWOUSHU-SJLPKXTDSA-N 1 2 350.422 2.625 20 30 FFEDLO C=CCn1c(CC2CC2)nnc1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000282397445 510961026 /nfs/dbraw/zinc/96/10/26/510961026.db2.gz WIHASKOZBVILKR-AWEZNQCLSA-N 1 2 358.515 2.756 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)cc1OCCCC#N ZINC000277744207 510971185 /nfs/dbraw/zinc/97/11/85/510971185.db2.gz UPJWDFBMBUOTTH-OYLFLEFRSA-N 1 2 350.484 2.721 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)cc1OCCCC#N ZINC000277744207 510971192 /nfs/dbraw/zinc/97/11/92/510971192.db2.gz UPJWDFBMBUOTTH-OYLFLEFRSA-N 1 2 350.484 2.721 20 30 FFEDLO CCN1CCN(C(=O)Nc2ccc3c(c2)C(=O)CCC3)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330349871 510972038 /nfs/dbraw/zinc/97/20/38/510972038.db2.gz KLQRFQSGQFFBAB-QGZVFWFLSA-N 1 2 367.453 2.853 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285619315 510980385 /nfs/dbraw/zinc/98/03/85/510980385.db2.gz QPLKTLCFEDDWIL-MLGOLLRUSA-N 1 2 355.360 2.665 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285619315 510980389 /nfs/dbraw/zinc/98/03/89/510980389.db2.gz QPLKTLCFEDDWIL-MLGOLLRUSA-N 1 2 355.360 2.665 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000330491897 510986056 /nfs/dbraw/zinc/98/60/56/510986056.db2.gz PYNRFVIDGQNNPB-HNNXBMFYSA-N 1 2 363.502 2.771 20 30 FFEDLO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)no1 ZINC000330500874 510987228 /nfs/dbraw/zinc/98/72/28/510987228.db2.gz ROYIOKIIRBDVKR-KHYOSLBOSA-N 1 2 361.490 2.815 20 30 FFEDLO CC(C)c1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)no1 ZINC000330500874 510987232 /nfs/dbraw/zinc/98/72/32/510987232.db2.gz ROYIOKIIRBDVKR-KHYOSLBOSA-N 1 2 361.490 2.815 20 30 FFEDLO CN(C(=O)C[NH+]1CCC(C(=O)OC(C)(C)C)CC1)C1(C#N)CCCCC1 ZINC000330493923 510987725 /nfs/dbraw/zinc/98/77/25/510987725.db2.gz UGHOEBYVTDFWGW-UHFFFAOYSA-N 1 2 363.502 2.725 20 30 FFEDLO COc1cc(C(N)=[NH+]OCCO[C@H]2CCCCO2)cc(Cl)c1OC ZINC000282491935 510998535 /nfs/dbraw/zinc/99/85/35/510998535.db2.gz UVMMIQHJQMZEJA-AWEZNQCLSA-N 1 2 358.822 2.537 20 30 FFEDLO Cn1ncc(Br)c1CNc1[nH+]cccc1OCCCC#N ZINC000278714446 511004960 /nfs/dbraw/zinc/00/49/60/511004960.db2.gz JLSGQHCKFYGRES-UHFFFAOYSA-N 1 2 350.220 2.872 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)cc1 ZINC000294309961 511021833 /nfs/dbraw/zinc/02/18/33/511021833.db2.gz JCUXNTLNFZSLNC-UHFFFAOYSA-N 1 2 351.372 2.935 20 30 FFEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000271140067 511095610 /nfs/dbraw/zinc/09/56/10/511095610.db2.gz UXVCHKZLGJPBLX-HNNXBMFYSA-N 1 2 351.878 2.642 20 30 FFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000271140067 511095615 /nfs/dbraw/zinc/09/56/15/511095615.db2.gz UXVCHKZLGJPBLX-HNNXBMFYSA-N 1 2 351.878 2.642 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000361986499 511111818 /nfs/dbraw/zinc/11/18/18/511111818.db2.gz PNDGXPFMWRPGJN-KSSFIOAISA-N 1 2 369.469 2.570 20 30 FFEDLO CC(C)[C@H]1C[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CCO1 ZINC000271357446 511175781 /nfs/dbraw/zinc/17/57/81/511175781.db2.gz XLSUJBZVOLAGPK-RDTXWAMCSA-N 1 2 368.481 2.850 20 30 FFEDLO COC(=O)c1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1ccccc1C#N)CC2 ZINC000271408487 511194271 /nfs/dbraw/zinc/19/42/71/511194271.db2.gz YHDUQWZBJUZDQH-CQSZACIVSA-N 1 2 363.417 2.730 20 30 FFEDLO COC(=O)c1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1ccccc1C#N)CC2 ZINC000271408487 511194275 /nfs/dbraw/zinc/19/42/75/511194275.db2.gz YHDUQWZBJUZDQH-CQSZACIVSA-N 1 2 363.417 2.730 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(CCC#N)Cc1cccnc1 ZINC000279743740 511197369 /nfs/dbraw/zinc/19/73/69/511197369.db2.gz XQKGWBXHTOTGFE-UHFFFAOYSA-N 1 2 369.375 2.960 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)ccc1C#N ZINC000291489263 511217549 /nfs/dbraw/zinc/21/75/49/511217549.db2.gz GKLGXJTTWFAJBF-UHFFFAOYSA-N 1 2 353.451 2.526 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000291722474 511311664 /nfs/dbraw/zinc/31/16/64/511311664.db2.gz JCOFFHQVSRTAEP-JKSUJKDBSA-N 1 2 365.424 2.580 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000291722474 511311670 /nfs/dbraw/zinc/31/16/70/511311670.db2.gz JCOFFHQVSRTAEP-JKSUJKDBSA-N 1 2 365.424 2.580 20 30 FFEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ncccc1OCCCC#N ZINC000365290106 511362650 /nfs/dbraw/zinc/36/26/50/511362650.db2.gz PMTAECXRLBVNMA-UHFFFAOYSA-N 1 2 368.441 2.961 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc(C)c1C#N ZINC000280439631 511466496 /nfs/dbraw/zinc/46/64/96/511466496.db2.gz BZDWPJPFCOFHOA-KRWDZBQOSA-N 1 2 365.437 2.775 20 30 FFEDLO COc1ccc(OC)c2c1C[N@H+](CCOc1ccccc1C#N)C[C@@H]2O ZINC000299016602 511485703 /nfs/dbraw/zinc/48/57/03/511485703.db2.gz FCEXLJVHDHIXEF-INIZCTEOSA-N 1 2 354.406 2.503 20 30 FFEDLO COc1ccc(OC)c2c1C[N@@H+](CCOc1ccccc1C#N)C[C@@H]2O ZINC000299016602 511485708 /nfs/dbraw/zinc/48/57/08/511485708.db2.gz FCEXLJVHDHIXEF-INIZCTEOSA-N 1 2 354.406 2.503 20 30 FFEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000272319659 511490994 /nfs/dbraw/zinc/49/09/94/511490994.db2.gz UEBUIEQGNHDCAS-UHFFFAOYSA-N 1 2 374.437 2.975 20 30 FFEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000272319659 511490996 /nfs/dbraw/zinc/49/09/96/511490996.db2.gz UEBUIEQGNHDCAS-UHFFFAOYSA-N 1 2 374.437 2.975 20 30 FFEDLO C=CCNC(=O)[C@H](C)[N@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000272550786 511498739 /nfs/dbraw/zinc/49/87/39/511498739.db2.gz WMMSNFPYDWSEEO-LBPRGKRZSA-N 1 2 357.376 2.657 20 30 FFEDLO C=CCNC(=O)[C@H](C)[N@@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000272550786 511498743 /nfs/dbraw/zinc/49/87/43/511498743.db2.gz WMMSNFPYDWSEEO-LBPRGKRZSA-N 1 2 357.376 2.657 20 30 FFEDLO CC(C)(C#N)CCCCn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000365528667 511506431 /nfs/dbraw/zinc/50/64/31/511506431.db2.gz SOWDFQJPTDEZAM-SFHVURJKSA-N 1 2 368.485 2.967 20 30 FFEDLO CC(C)(C#N)CCCCn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000365528667 511506434 /nfs/dbraw/zinc/50/64/34/511506434.db2.gz SOWDFQJPTDEZAM-SFHVURJKSA-N 1 2 368.485 2.967 20 30 FFEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1sccc1C#N ZINC000283818886 511509888 /nfs/dbraw/zinc/50/98/88/511509888.db2.gz YUVHXLQPSVNRFK-CABCVRRESA-N 1 2 353.451 2.612 20 30 FFEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1sccc1C#N ZINC000283818886 511509891 /nfs/dbraw/zinc/50/98/91/511509891.db2.gz YUVHXLQPSVNRFK-CABCVRRESA-N 1 2 353.451 2.612 20 30 FFEDLO COC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1ccco1 ZINC000273541984 511530476 /nfs/dbraw/zinc/53/04/76/511530476.db2.gz VSVTXKIGCRHRMR-HOTGVXAUSA-N 1 2 371.437 2.901 20 30 FFEDLO C=CCC(C)(C)CNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000292598714 511655360 /nfs/dbraw/zinc/65/53/60/511655360.db2.gz VUEXAPACQZMIHL-UHFFFAOYSA-N 1 2 372.513 2.991 20 30 FFEDLO C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1c(F)cccc1F ZINC000296261224 511675061 /nfs/dbraw/zinc/67/50/61/511675061.db2.gz CAMXYYPNJUAOJV-HEHGZKQESA-N 1 2 350.413 2.949 20 30 FFEDLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3CC(C)(C#N)C3)c2c1C ZINC000281009286 511687005 /nfs/dbraw/zinc/68/70/05/511687005.db2.gz OSKHOWMGQJNCGA-UHFFFAOYSA-N 1 2 373.482 2.588 20 30 FFEDLO C=C(C)CN(CC)C(=O)CN1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000302912426 511719459 /nfs/dbraw/zinc/71/94/59/511719459.db2.gz QISMYSYXXHTRKL-UHFFFAOYSA-N 1 2 359.514 2.628 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(Cc2ccc(OCC)cc2)CC1 ZINC000302912426 511719462 /nfs/dbraw/zinc/71/94/62/511719462.db2.gz QISMYSYXXHTRKL-UHFFFAOYSA-N 1 2 359.514 2.628 20 30 FFEDLO CC(C)(C)OC(=O)N1CC2(C1)C[N@H+](Cc1ccc(C#N)cc1F)CCO2 ZINC000292885092 511758468 /nfs/dbraw/zinc/75/84/68/511758468.db2.gz YHIMIIRKBYAHAI-UHFFFAOYSA-N 1 2 361.417 2.519 20 30 FFEDLO CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](Cc1ccc(C#N)cc1F)CCO2 ZINC000292885092 511758471 /nfs/dbraw/zinc/75/84/71/511758471.db2.gz YHIMIIRKBYAHAI-UHFFFAOYSA-N 1 2 361.417 2.519 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)C1=O ZINC000281247604 511774405 /nfs/dbraw/zinc/77/44/05/511774405.db2.gz GNYTUNNJBPGODB-WBVHZDCISA-N 1 2 369.465 2.671 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)C1=O ZINC000281247604 511774409 /nfs/dbraw/zinc/77/44/09/511774409.db2.gz GNYTUNNJBPGODB-WBVHZDCISA-N 1 2 369.465 2.671 20 30 FFEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000366105970 511842629 /nfs/dbraw/zinc/84/26/29/511842629.db2.gz NNNGXMLCQPUDDG-CQSZACIVSA-N 1 2 355.398 2.573 20 30 FFEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000366105970 511842634 /nfs/dbraw/zinc/84/26/34/511842634.db2.gz NNNGXMLCQPUDDG-CQSZACIVSA-N 1 2 355.398 2.573 20 30 FFEDLO O=C(NC[C@H]1CCC2(CCCCC2)O1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000328664215 511912356 /nfs/dbraw/zinc/91/23/56/511912356.db2.gz BKVPECZSLXZUQE-LJQANCHMSA-N 1 2 372.513 2.995 20 30 FFEDLO Cc1ccc([C@H](CNC(=O)c2cn3c(n2)CCCC3)[NH+]2CCOCC2)cc1 ZINC000328696150 511916665 /nfs/dbraw/zinc/91/66/65/511916665.db2.gz GRANVXMYOWEQMM-IBGZPJMESA-N 1 2 368.481 2.906 20 30 FFEDLO O=C(CCNC(=O)C1CCCCC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000328772694 511929222 /nfs/dbraw/zinc/92/92/22/511929222.db2.gz DJXQSVBDEMXEIS-UHFFFAOYSA-N 1 2 358.486 2.653 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)N1CCOCC1 ZINC000328782737 511930969 /nfs/dbraw/zinc/93/09/69/511930969.db2.gz GFLWZNKCEVJCDK-ZACQAIPSSA-N 1 2 361.486 2.605 20 30 FFEDLO C[C@@H]1Oc2ccc(NC(=O)N3CC[C@H](c4[nH+]ccn4C)C3)cc2NC1=O ZINC000328870841 511943807 /nfs/dbraw/zinc/94/38/07/511943807.db2.gz PRQQGGIEZCZQDP-RYUDHWBXSA-N 1 2 355.398 2.824 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000281719441 511944036 /nfs/dbraw/zinc/94/40/36/511944036.db2.gz JGRKNEKBVONENT-MJGOQNOKSA-N 1 2 358.486 2.852 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCC(C)(C)C#N ZINC000284965828 511947988 /nfs/dbraw/zinc/94/79/88/511947988.db2.gz XMJMJCCZWKKGMV-OAHLLOKOSA-N 1 2 361.490 2.954 20 30 FFEDLO COc1cc(C#N)ccc1OCC[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000366306019 511949425 /nfs/dbraw/zinc/94/94/25/511949425.db2.gz FJDHXEWRBJLUTF-UHFFFAOYSA-N 1 2 364.352 2.935 20 30 FFEDLO C[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1nnc2n1CCCC2 ZINC000328952560 511956415 /nfs/dbraw/zinc/95/64/15/511956415.db2.gz XSJKBOUBGRQROR-HNNXBMFYSA-N 1 2 369.469 2.512 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N[C@H]2CCCC2(C)C)CCC(=O)N1C1CC1 ZINC000328970064 511958100 /nfs/dbraw/zinc/95/81/00/511958100.db2.gz BAHGHXQZULAWNT-UWWQBHOKSA-N 1 2 373.501 2.697 20 30 FFEDLO C[C@@H]1CC(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C[C@@H](C)O1 ZINC000328991236 511962687 /nfs/dbraw/zinc/96/26/87/511962687.db2.gz DFGZSQUTVVADKA-XBQLXHJASA-N 1 2 374.485 2.775 20 30 FFEDLO CN(C)C(=O)O[C@@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000296962667 511968447 /nfs/dbraw/zinc/96/84/47/511968447.db2.gz YJALACNQNVXKLY-OAHLLOKOSA-N 1 2 368.437 2.510 20 30 FFEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000296962667 511968454 /nfs/dbraw/zinc/96/84/54/511968454.db2.gz YJALACNQNVXKLY-OAHLLOKOSA-N 1 2 368.437 2.510 20 30 FFEDLO COc1cc(C[NH2+][C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)ccc1C#N ZINC000281807159 511974335 /nfs/dbraw/zinc/97/43/35/511974335.db2.gz VRYIEPXJQAODNQ-CQSZACIVSA-N 1 2 367.413 2.612 20 30 FFEDLO Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329084436 511979634 /nfs/dbraw/zinc/97/96/34/511979634.db2.gz SYFBBPRPTIOYFD-YVEFUNNKSA-N 1 2 359.474 2.998 20 30 FFEDLO Cc1noc([C@H](NC(=O)C2CC[NH+](CC(F)F)CC2)C2CCOCC2)n1 ZINC000329161588 511995862 /nfs/dbraw/zinc/99/58/62/511995862.db2.gz FJKLKSXZOZLFIY-OAHLLOKOSA-N 1 2 372.416 2.779 20 30 FFEDLO Cc1cc(=O)c(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)cn1C1CC1 ZINC000329195442 512002555 /nfs/dbraw/zinc/00/25/55/512002555.db2.gz SKLDRHMBOBOIJV-GOSISDBHSA-N 1 2 370.453 2.698 20 30 FFEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4nc(C(F)F)sc4c3)C[C@H]21 ZINC000329236546 512009869 /nfs/dbraw/zinc/00/98/69/512009869.db2.gz JOTZLZLIEBPREP-NEPJUHHUSA-N 1 2 368.409 2.794 20 30 FFEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4nc(C(F)F)sc4c3)C[C@H]21 ZINC000329236546 512009875 /nfs/dbraw/zinc/00/98/75/512009875.db2.gz JOTZLZLIEBPREP-NEPJUHHUSA-N 1 2 368.409 2.794 20 30 FFEDLO [O-]C(=[NH+]C[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000329263503 512016535 /nfs/dbraw/zinc/01/65/35/512016535.db2.gz BLCYBHHZEPVETM-LSDHHAIUSA-N 1 2 369.473 2.550 20 30 FFEDLO Cc1cc(NC(=O)NC[C@]2(O)CCSC2)c[nH+]c1N1CCCC[C@H]1C ZINC000329359313 512033626 /nfs/dbraw/zinc/03/36/26/512033626.db2.gz XLPGSSUSKGDXKS-RDTXWAMCSA-N 1 2 364.515 2.963 20 30 FFEDLO CN1C(=O)CC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000329395958 512038953 /nfs/dbraw/zinc/03/89/53/512038953.db2.gz VVTQSNZXZZPNGW-OFQRWUPVSA-N 1 2 353.825 2.802 20 30 FFEDLO CN1C(=O)CC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000329395958 512038960 /nfs/dbraw/zinc/03/89/60/512038960.db2.gz VVTQSNZXZZPNGW-OFQRWUPVSA-N 1 2 353.825 2.802 20 30 FFEDLO C[C@@H](c1cccc(NC(=O)N2CCOCC3(CC3)C2)c1)[NH+]1CCOCC1 ZINC000329429286 512044599 /nfs/dbraw/zinc/04/45/99/512044599.db2.gz GYWAOKREAQMACO-INIZCTEOSA-N 1 2 359.470 2.738 20 30 FFEDLO C#Cc1ccc(CNC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000297173801 512047439 /nfs/dbraw/zinc/04/74/39/512047439.db2.gz AHWXGXQIRGQNCH-UHFFFAOYSA-N 1 2 350.344 2.768 20 30 FFEDLO Cc1nc(N2CCN(CC(=O)N[C@H]3CCCc4ccccc43)CC2)cc[nH+]1 ZINC000329514039 512061922 /nfs/dbraw/zinc/06/19/22/512061922.db2.gz LRFCAAFJWIMXCL-IBGZPJMESA-N 1 2 365.481 2.941 20 30 FFEDLO NC(=O)NC(=O)C1CCC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329539763 512066240 /nfs/dbraw/zinc/06/62/40/512066240.db2.gz MVCLDLFXXKXRQZ-SSDMNJCBSA-N 1 2 366.462 2.594 20 30 FFEDLO NC(=O)NC(=O)C1CCC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329539763 512066242 /nfs/dbraw/zinc/06/62/42/512066242.db2.gz MVCLDLFXXKXRQZ-SSDMNJCBSA-N 1 2 366.462 2.594 20 30 FFEDLO Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000329584007 512073346 /nfs/dbraw/zinc/07/33/46/512073346.db2.gz VYUMCSNZJVLWIF-HNNXBMFYSA-N 1 2 371.441 2.579 20 30 FFEDLO Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000329584007 512073348 /nfs/dbraw/zinc/07/33/48/512073348.db2.gz VYUMCSNZJVLWIF-HNNXBMFYSA-N 1 2 371.441 2.579 20 30 FFEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(Cl)cc3OC(F)F)C[C@@H]21 ZINC000329655265 512082989 /nfs/dbraw/zinc/08/29/89/512082989.db2.gz MAVAYCWHZZSICM-WCQYABFASA-N 1 2 361.776 2.502 20 30 FFEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(Cl)cc3OC(F)F)C[C@@H]21 ZINC000329655265 512082991 /nfs/dbraw/zinc/08/29/91/512082991.db2.gz MAVAYCWHZZSICM-WCQYABFASA-N 1 2 361.776 2.502 20 30 FFEDLO CC1(C)CN(C(=O)N[C@H]2CCc3c[nH]nc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000329808892 512099690 /nfs/dbraw/zinc/09/96/90/512099690.db2.gz AVGGMZKZMJFJFY-SFHVURJKSA-N 1 2 367.497 2.777 20 30 FFEDLO CC1(C)CN(C(=O)N[C@H]2CCc3c[nH]nc3C2)CC[N@H+]1Cc1ccccc1 ZINC000329808892 512099691 /nfs/dbraw/zinc/09/96/91/512099691.db2.gz AVGGMZKZMJFJFY-SFHVURJKSA-N 1 2 367.497 2.777 20 30 FFEDLO CC1(C)CN(C(=O)N[C@@H]2CCc3c[nH]nc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000329808890 512099847 /nfs/dbraw/zinc/09/98/47/512099847.db2.gz AVGGMZKZMJFJFY-GOSISDBHSA-N 1 2 367.497 2.777 20 30 FFEDLO CC1(C)CN(C(=O)N[C@@H]2CCc3c[nH]nc3C2)CC[N@H+]1Cc1ccccc1 ZINC000329808890 512099852 /nfs/dbraw/zinc/09/98/52/512099852.db2.gz AVGGMZKZMJFJFY-GOSISDBHSA-N 1 2 367.497 2.777 20 30 FFEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)NC1CCCCC1 ZINC000329894059 512105819 /nfs/dbraw/zinc/10/58/19/512105819.db2.gz BAFZUVHOJMJHPV-RDJZCZTQSA-N 1 2 351.470 2.511 20 30 FFEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)NC1CCCCC1 ZINC000329894059 512105820 /nfs/dbraw/zinc/10/58/20/512105820.db2.gz BAFZUVHOJMJHPV-RDJZCZTQSA-N 1 2 351.470 2.511 20 30 FFEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000411143618 512488614 /nfs/dbraw/zinc/48/86/14/512488614.db2.gz ZCPTZLSCGHXEJU-LBPRGKRZSA-N 1 2 369.918 2.515 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000411143618 512488618 /nfs/dbraw/zinc/48/86/18/512488618.db2.gz ZCPTZLSCGHXEJU-LBPRGKRZSA-N 1 2 369.918 2.515 20 30 FFEDLO N#Cc1c(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)nc2cc(Cl)ccn12 ZINC000367442658 512499608 /nfs/dbraw/zinc/49/96/08/512499608.db2.gz JNQWIPGMLJOLEC-HNNXBMFYSA-N 1 2 356.817 2.532 20 30 FFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000411194515 512514632 /nfs/dbraw/zinc/51/46/32/512514632.db2.gz QNJNHIOUPAEWIE-HNNXBMFYSA-N 1 2 371.441 2.960 20 30 FFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000411194515 512514637 /nfs/dbraw/zinc/51/46/37/512514637.db2.gz QNJNHIOUPAEWIE-HNNXBMFYSA-N 1 2 371.441 2.960 20 30 FFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000411194997 512515630 /nfs/dbraw/zinc/51/56/30/512515630.db2.gz RTHAYILUDLTDHG-ZDUSSCGKSA-N 1 2 362.430 2.596 20 30 FFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000411194997 512515634 /nfs/dbraw/zinc/51/56/34/512515634.db2.gz RTHAYILUDLTDHG-ZDUSSCGKSA-N 1 2 362.430 2.596 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000373823565 512523171 /nfs/dbraw/zinc/52/31/71/512523171.db2.gz OHTIARGIRCZCGI-ZWKOTPCHSA-N 1 2 373.840 2.915 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000373823565 512523172 /nfs/dbraw/zinc/52/31/72/512523172.db2.gz OHTIARGIRCZCGI-ZWKOTPCHSA-N 1 2 373.840 2.915 20 30 FFEDLO CC(C)(CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)[NH+]1CCOCC1 ZINC000369757460 512593429 /nfs/dbraw/zinc/59/34/29/512593429.db2.gz MPFGWWRJYHVLEW-OALUTQOASA-N 1 2 370.497 2.579 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)C2)c(F)c1 ZINC000367720882 512632251 /nfs/dbraw/zinc/63/22/51/512632251.db2.gz MWTZHEXNXBOPBG-IAGOWNOFSA-N 1 2 367.428 2.584 20 30 FFEDLO CCc1ccc([C@@H](COC)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000411510725 512667769 /nfs/dbraw/zinc/66/77/69/512667769.db2.gz HDCPJCCSPVMSDE-HUUCEWRRSA-N 1 2 359.451 2.858 20 30 FFEDLO C=C(C)C[NH+]1CCC(N[C@@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000369963161 512702500 /nfs/dbraw/zinc/70/25/00/512702500.db2.gz CGIWZGPMGIMPML-QGZVFWFLSA-N 1 2 352.475 2.674 20 30 FFEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000411600117 512710412 /nfs/dbraw/zinc/71/04/12/512710412.db2.gz XBKYHFCCGYJPCQ-UHFFFAOYSA-N 1 2 354.454 2.569 20 30 FFEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378517972 512802090 /nfs/dbraw/zinc/80/20/90/512802090.db2.gz IPWRNAJDHUXWTI-MRXNPFEDSA-N 1 2 351.410 2.754 20 30 FFEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000378543627 512815952 /nfs/dbraw/zinc/81/59/52/512815952.db2.gz JWLYYJWPLUZSOK-AWEZNQCLSA-N 1 2 353.426 2.874 20 30 FFEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000372341844 512825599 /nfs/dbraw/zinc/82/55/99/512825599.db2.gz JWCCVZFTFQUNLW-KRWDZBQOSA-N 1 2 366.446 2.894 20 30 FFEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000372341844 512825601 /nfs/dbraw/zinc/82/56/01/512825601.db2.gz JWCCVZFTFQUNLW-KRWDZBQOSA-N 1 2 366.446 2.894 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000374524542 512872809 /nfs/dbraw/zinc/87/28/09/512872809.db2.gz ZITSRXSNAVRVCH-IRLDBZIGSA-N 1 2 364.445 2.798 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000374524542 512872813 /nfs/dbraw/zinc/87/28/13/512872813.db2.gz ZITSRXSNAVRVCH-IRLDBZIGSA-N 1 2 364.445 2.798 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c(C#N)c1C ZINC000411935455 512880736 /nfs/dbraw/zinc/88/07/36/512880736.db2.gz IEZPXIXRJDVWLS-DOTOQJQBSA-N 1 2 355.463 2.983 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c(C#N)c1C ZINC000411935455 512880738 /nfs/dbraw/zinc/88/07/38/512880738.db2.gz IEZPXIXRJDVWLS-DOTOQJQBSA-N 1 2 355.463 2.983 20 30 FFEDLO N#CCCCOc1cccc(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000370355491 512890615 /nfs/dbraw/zinc/89/06/15/512890615.db2.gz OUOARRGTJPWHQN-SFHVURJKSA-N 1 2 356.447 2.987 20 30 FFEDLO CCOc1ccc(C(C)=O)cc1C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000374566855 512896642 /nfs/dbraw/zinc/89/66/42/512896642.db2.gz UFSLBYIALBTSQP-UHFFFAOYSA-N 1 2 364.449 2.877 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3ccncn3)C2)c(C#N)c1C ZINC000372580569 512953279 /nfs/dbraw/zinc/95/32/79/512953279.db2.gz BWMGGXHUAQBVEY-UKRRQHHQSA-N 1 2 353.426 2.765 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3ccncn3)C2)c(C#N)c1C ZINC000372580569 512953275 /nfs/dbraw/zinc/95/32/75/512953275.db2.gz BWMGGXHUAQBVEY-UKRRQHHQSA-N 1 2 353.426 2.765 20 30 FFEDLO N#Cc1cc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc(N)c1[N+](=O)[O-] ZINC000376715303 512954723 /nfs/dbraw/zinc/95/47/23/512954723.db2.gz JCIBYLWLPXPQGM-UHFFFAOYSA-N 1 2 352.329 2.986 20 30 FFEDLO Cc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c2ccccc12 ZINC000412128751 512971653 /nfs/dbraw/zinc/97/16/53/512971653.db2.gz MSUQSAMDFRLECH-UHFFFAOYSA-N 1 2 351.450 2.836 20 30 FFEDLO CC1(C)C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000408424198 513064904 /nfs/dbraw/zinc/06/49/04/513064904.db2.gz SQDVVPQSXYHJJJ-HVSHLEFESA-N 1 2 353.466 2.754 20 30 FFEDLO CC1(C)C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000408424198 513064907 /nfs/dbraw/zinc/06/49/07/513064907.db2.gz SQDVVPQSXYHJJJ-HVSHLEFESA-N 1 2 353.466 2.754 20 30 FFEDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000368848459 513120637 /nfs/dbraw/zinc/12/06/37/513120637.db2.gz XDQKFWLBTBBVAU-RHSMWYFYSA-N 1 2 368.437 2.781 20 30 FFEDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000368848459 513120639 /nfs/dbraw/zinc/12/06/39/513120639.db2.gz XDQKFWLBTBBVAU-RHSMWYFYSA-N 1 2 368.437 2.781 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](C)[C@@H](C)O1 ZINC000446075530 513179901 /nfs/dbraw/zinc/17/99/01/513179901.db2.gz ZFSSVTKTSSDCIT-QLFBSQMISA-N 1 2 368.399 2.671 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](C)[C@@H](C)O1 ZINC000446075530 513179903 /nfs/dbraw/zinc/17/99/03/513179903.db2.gz ZFSSVTKTSSDCIT-QLFBSQMISA-N 1 2 368.399 2.671 20 30 FFEDLO C=CCCn1cc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)nn1 ZINC000424595804 513197275 /nfs/dbraw/zinc/19/72/75/513197275.db2.gz GBSWFMQKHOKTGC-HOTGVXAUSA-N 1 2 369.469 2.716 20 30 FFEDLO C[NH+](C)[C@@H](CNS(=O)(=O)CC(C)(C)CC#N)c1ccccc1Cl ZINC000450987881 513440669 /nfs/dbraw/zinc/44/06/69/513440669.db2.gz YZVNMYWFAVPJDX-HNNXBMFYSA-N 1 2 357.907 2.802 20 30 FFEDLO Cc1cc(NCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c(C#N)c[nH+]1 ZINC000425214364 513457111 /nfs/dbraw/zinc/45/71/11/513457111.db2.gz JFJALEJTAYWJCU-IYBDPMFKSA-N 1 2 364.449 2.545 20 30 FFEDLO COc1ccc(CNC(=O)C2CCN(c3cc(C)[nH+]cc3C#N)CC2)cc1 ZINC000425227339 513461690 /nfs/dbraw/zinc/46/16/90/513461690.db2.gz JAVXDMBHHJVZPA-UHFFFAOYSA-N 1 2 364.449 2.803 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)cc1OC ZINC000429999008 513523703 /nfs/dbraw/zinc/52/37/03/513523703.db2.gz HIUZIHSRPYWNEM-OAHLLOKOSA-N 1 2 374.466 2.699 20 30 FFEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@@H]1C ZINC000451358671 513701800 /nfs/dbraw/zinc/70/18/00/513701800.db2.gz JMCPVBLGWXOCNT-QWHCGFSZSA-N 1 2 355.891 2.509 20 30 FFEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@@H]1C ZINC000451358671 513701807 /nfs/dbraw/zinc/70/18/07/513701807.db2.gz JMCPVBLGWXOCNT-QWHCGFSZSA-N 1 2 355.891 2.509 20 30 FFEDLO N#CCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c(Cl)c1 ZINC000451387162 513715783 /nfs/dbraw/zinc/71/57/83/513715783.db2.gz YRTHTYWDHAMVDL-CYBMUJFWSA-N 1 2 350.831 2.655 20 30 FFEDLO C=CCCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000448390372 513749264 /nfs/dbraw/zinc/74/92/64/513749264.db2.gz UFAPXZQUJGGMTM-SJORKVTESA-N 1 2 351.878 2.977 20 30 FFEDLO C=CCCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000448390372 513749272 /nfs/dbraw/zinc/74/92/72/513749272.db2.gz UFAPXZQUJGGMTM-SJORKVTESA-N 1 2 351.878 2.977 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(C(F)(F)F)n3)CC2)cc1 ZINC000448576422 513788096 /nfs/dbraw/zinc/78/80/96/513788096.db2.gz ACYBNESOCQUEAJ-UHFFFAOYSA-N 1 2 374.366 2.930 20 30 FFEDLO CC(C)Oc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000436194772 513791047 /nfs/dbraw/zinc/79/10/47/513791047.db2.gz AABDREKSKNFUBJ-UHFFFAOYSA-N 1 2 364.449 2.698 20 30 FFEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCC3(CC#N)CC3)CC2)c1 ZINC000431197477 513849986 /nfs/dbraw/zinc/84/99/86/513849986.db2.gz KLMLGRLWWQRKCE-MRXNPFEDSA-N 1 2 356.470 2.777 20 30 FFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000419617956 513862702 /nfs/dbraw/zinc/86/27/02/513862702.db2.gz VZOALTPTIWVJIB-LJQANCHMSA-N 1 2 361.449 2.862 20 30 FFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000419617955 513863537 /nfs/dbraw/zinc/86/35/37/513863537.db2.gz VZOALTPTIWVJIB-IBGZPJMESA-N 1 2 361.449 2.862 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1cccc(Cl)c1C#N ZINC000443091983 513869704 /nfs/dbraw/zinc/86/97/04/513869704.db2.gz FMSIHIBTHHBZJR-UHFFFAOYSA-N 1 2 374.853 2.848 20 30 FFEDLO N#CCCN(C(=O)C[NH+]1CCC(O)(C(F)F)CC1)c1cccc(Cl)c1 ZINC000426205323 513871402 /nfs/dbraw/zinc/87/14/02/513871402.db2.gz LGMKOYABFVXTAX-UHFFFAOYSA-N 1 2 371.815 2.679 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000426266274 513890406 /nfs/dbraw/zinc/89/04/06/513890406.db2.gz XZDBFVZBCMNBCY-UHFFFAOYSA-N 1 2 356.438 2.995 20 30 FFEDLO Cc1cc(NC(=O)C(=O)NCC2(C#N)CCC2)ccc1Oc1cc[nH+]cc1 ZINC000419801591 513932336 /nfs/dbraw/zinc/93/23/36/513932336.db2.gz BRTRTEUGELPENN-UHFFFAOYSA-N 1 2 364.405 2.931 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451875881 514036849 /nfs/dbraw/zinc/03/68/49/514036849.db2.gz WNPKINLHEWEZCP-KBPBESRZSA-N 1 2 368.403 2.701 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451875881 514036856 /nfs/dbraw/zinc/03/68/56/514036856.db2.gz WNPKINLHEWEZCP-KBPBESRZSA-N 1 2 368.403 2.701 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451876366 514038427 /nfs/dbraw/zinc/03/84/27/514038427.db2.gz XVRWLLIIESUXFD-KBPBESRZSA-N 1 2 368.403 2.701 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451876366 514038431 /nfs/dbraw/zinc/03/84/31/514038431.db2.gz XVRWLLIIESUXFD-KBPBESRZSA-N 1 2 368.403 2.701 20 30 FFEDLO Cc1cc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1C#N ZINC000443974205 514089170 /nfs/dbraw/zinc/08/91/70/514089170.db2.gz SRSPZDJQFLRTDN-UHFFFAOYSA-N 1 2 370.409 2.670 20 30 FFEDLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC(C)(C)C#N ZINC000449238224 514126573 /nfs/dbraw/zinc/12/65/73/514126573.db2.gz FSOJBAYKZYNYNR-LLVKDONJSA-N 1 2 368.275 2.602 20 30 FFEDLO N#CCCC[C@H](NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000432229245 514131687 /nfs/dbraw/zinc/13/16/87/514131687.db2.gz PCXTVWQBDROPRX-MOPGFXCFSA-N 1 2 356.470 2.584 20 30 FFEDLO N#CCCC[C@H](NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000432229245 514131694 /nfs/dbraw/zinc/13/16/94/514131694.db2.gz PCXTVWQBDROPRX-MOPGFXCFSA-N 1 2 356.470 2.584 20 30 FFEDLO N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000452331607 514288381 /nfs/dbraw/zinc/28/83/81/514288381.db2.gz DVUCUTJULUIEJL-UHFFFAOYSA-N 1 2 372.450 2.549 20 30 FFEDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000444798050 514337545 /nfs/dbraw/zinc/33/75/45/514337545.db2.gz QHJXQNVLFHKSMI-CQSZACIVSA-N 1 2 371.300 2.720 20 30 FFEDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000444798050 514337552 /nfs/dbraw/zinc/33/75/52/514337552.db2.gz QHJXQNVLFHKSMI-CQSZACIVSA-N 1 2 371.300 2.720 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ncc(C#N)cc1Cl)c1cccc(F)c1 ZINC000439263648 514519367 /nfs/dbraw/zinc/51/93/67/514519367.db2.gz YIIRGPNECPDDGL-HNNXBMFYSA-N 1 2 369.787 2.999 20 30 FFEDLO N#Cc1ccc(C[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)c(Cl)c1 ZINC000439448555 514555020 /nfs/dbraw/zinc/55/50/20/514555020.db2.gz GXMQKJADACREPA-QGZVFWFLSA-N 1 2 361.873 2.815 20 30 FFEDLO N#Cc1ccc(C[N@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)c(Cl)c1 ZINC000439448555 514555023 /nfs/dbraw/zinc/55/50/23/514555023.db2.gz GXMQKJADACREPA-QGZVFWFLSA-N 1 2 361.873 2.815 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(Oc3cnccn3)CC2)c1C ZINC000488809431 514590902 /nfs/dbraw/zinc/59/09/02/514590902.db2.gz TZGMSWZJSHVVCD-UHFFFAOYSA-N 1 2 354.454 2.807 20 30 FFEDLO CC(C)c1nc(N(C)C)nc(NCCSCc2ccccc2C#N)[nH+]1 ZINC000502391388 514633666 /nfs/dbraw/zinc/63/36/66/514633666.db2.gz HYMFGDHVTFYWJA-UHFFFAOYSA-N 1 2 356.499 2.700 20 30 FFEDLO CC(C)c1nc(NCCSCc2ccccc2C#N)nc(N(C)C)[nH+]1 ZINC000502391388 514633674 /nfs/dbraw/zinc/63/36/74/514633674.db2.gz HYMFGDHVTFYWJA-UHFFFAOYSA-N 1 2 356.499 2.700 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502555476 514692872 /nfs/dbraw/zinc/69/28/72/514692872.db2.gz QPLHXQQRWAZYDQ-RDJZCZTQSA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502555476 514692876 /nfs/dbraw/zinc/69/28/76/514692876.db2.gz QPLHXQQRWAZYDQ-RDJZCZTQSA-N 1 2 358.804 2.921 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)ccc1[N+](=O)[O-] ZINC000489104834 514711197 /nfs/dbraw/zinc/71/11/97/514711197.db2.gz XWBOGRWQTVQTSX-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO CC(C)N1CCC[C@@H]([NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1=O ZINC000471013342 514716618 /nfs/dbraw/zinc/71/66/18/514716618.db2.gz WIRHQTFCLCMTGZ-MOPGFXCFSA-N 1 2 374.916 2.922 20 30 FFEDLO CCn1c2ccc(C#N)cc2nc1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000502873282 514821796 /nfs/dbraw/zinc/82/17/96/514821796.db2.gz VKSRPAPKYNAJNQ-UHFFFAOYSA-N 1 2 361.396 2.843 20 30 FFEDLO COCC[N@H+](Cc1cc(C#N)ccc1Br)[C@H]1CCO[C@H]1C ZINC000489457094 514854199 /nfs/dbraw/zinc/85/41/99/514854199.db2.gz BDOWCRJRIGQUTF-LRDDRELGSA-N 1 2 353.260 2.947 20 30 FFEDLO COCC[N@@H+](Cc1cc(C#N)ccc1Br)[C@H]1CCO[C@H]1C ZINC000489457094 514854206 /nfs/dbraw/zinc/85/42/06/514854206.db2.gz BDOWCRJRIGQUTF-LRDDRELGSA-N 1 2 353.260 2.947 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1ccc(F)cc1Br ZINC000485026682 514879586 /nfs/dbraw/zinc/87/95/86/514879586.db2.gz LUUZRTQEMBVSLF-NSHDSACASA-N 1 2 356.239 2.781 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1ccc(F)cc1Br ZINC000485026682 514879597 /nfs/dbraw/zinc/87/95/97/514879597.db2.gz LUUZRTQEMBVSLF-NSHDSACASA-N 1 2 356.239 2.781 20 30 FFEDLO Cc1[nH]c2ccc(NC(=O)[C@@H]3CCC(=O)N3Cc3cccc(C#N)c3)cc2[nH+]1 ZINC000476034309 514891633 /nfs/dbraw/zinc/89/16/33/514891633.db2.gz OZJXCUIBUWRCBR-IBGZPJMESA-N 1 2 373.416 2.873 20 30 FFEDLO C[C@@H](C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1)c1cccc(C#N)c1 ZINC000462560283 515123601 /nfs/dbraw/zinc/12/36/01/515123601.db2.gz ZQLFMENCBLPGKW-QAPCUYQASA-N 1 2 364.449 2.803 20 30 FFEDLO Cn1cc(C[N@@H+]2CCO[C@@H](COCC3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000485715847 515157345 /nfs/dbraw/zinc/15/73/45/515157345.db2.gz JNDWXVHDGKXQFZ-HXUWFJFHSA-N 1 2 366.465 2.586 20 30 FFEDLO Cn1cc(C[N@H+]2CCO[C@@H](COCC3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000485715847 515157354 /nfs/dbraw/zinc/15/73/54/515157354.db2.gz JNDWXVHDGKXQFZ-HXUWFJFHSA-N 1 2 366.465 2.586 20 30 FFEDLO C=CCC[C@H](C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000490293361 515166155 /nfs/dbraw/zinc/16/61/55/515166155.db2.gz NLDKNOHATOWZFY-FQEVSTJZSA-N 1 2 352.482 2.814 20 30 FFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 ZINC000462682895 515188923 /nfs/dbraw/zinc/18/89/23/515188923.db2.gz RMGWQXPTGLAKSR-HNNXBMFYSA-N 1 2 367.540 2.840 20 30 FFEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)NCC(C)(C)CCC#N)cc1 ZINC000476930416 515254575 /nfs/dbraw/zinc/25/45/75/515254575.db2.gz KFKAIAXLPYCIQB-LJQANCHMSA-N 1 2 372.513 2.998 20 30 FFEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000491423776 515431342 /nfs/dbraw/zinc/43/13/42/515431342.db2.gz OXXOYXNIGJJJAU-UHFFFAOYSA-N 1 2 355.394 2.808 20 30 FFEDLO C=CC[N@H+](CCc1ccco1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000491423776 515431352 /nfs/dbraw/zinc/43/13/52/515431352.db2.gz OXXOYXNIGJJJAU-UHFFFAOYSA-N 1 2 355.394 2.808 20 30 FFEDLO C=C(C)CS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000477492671 515477992 /nfs/dbraw/zinc/47/79/92/515477992.db2.gz FIPFZXYGBUTKTF-SJORKVTESA-N 1 2 358.454 2.984 20 30 FFEDLO C=C(C)CS(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000477492671 515477999 /nfs/dbraw/zinc/47/79/99/515477999.db2.gz FIPFZXYGBUTKTF-SJORKVTESA-N 1 2 358.454 2.984 20 30 FFEDLO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000459409173 515533759 /nfs/dbraw/zinc/53/37/59/515533759.db2.gz XVTNMVMTNIOSDW-CYBMUJFWSA-N 1 2 369.377 2.869 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](CCn3cc(Cl)cn3)CC2)c(Cl)c1 ZINC000459420021 515540378 /nfs/dbraw/zinc/54/03/78/515540378.db2.gz FWFOUGSSNSIVKJ-UHFFFAOYSA-N 1 2 350.253 2.884 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1=O ZINC000499989592 515547469 /nfs/dbraw/zinc/54/74/69/515547469.db2.gz UKKDYSOHDXHJNT-FQEVSTJZSA-N 1 2 368.456 2.719 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1=O ZINC000499989592 515547477 /nfs/dbraw/zinc/54/74/77/515547477.db2.gz UKKDYSOHDXHJNT-FQEVSTJZSA-N 1 2 368.456 2.719 20 30 FFEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000454519558 515548647 /nfs/dbraw/zinc/54/86/47/515548647.db2.gz WQIWELMPTUJLMM-UHFFFAOYSA-N 1 2 362.477 2.866 20 30 FFEDLO C=CC(C)(C)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000456977937 515559997 /nfs/dbraw/zinc/55/99/97/515559997.db2.gz GISKIJJNVDIHEI-UHFFFAOYSA-N 1 2 354.248 2.831 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nc3cc(Br)ccc3[nH]2)C1=O ZINC000500021891 515561088 /nfs/dbraw/zinc/56/10/88/515561088.db2.gz YXMHOYZUOPKBQQ-CQSZACIVSA-N 1 2 363.259 2.544 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nc3cc(Br)ccc3[nH]2)C1=O ZINC000500021891 515561094 /nfs/dbraw/zinc/56/10/94/515561094.db2.gz YXMHOYZUOPKBQQ-CQSZACIVSA-N 1 2 363.259 2.544 20 30 FFEDLO C=CCCCCCN(C)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000482088830 515571384 /nfs/dbraw/zinc/57/13/84/515571384.db2.gz ALCLGBYRNCGSSE-UHFFFAOYSA-N 1 2 372.513 2.715 20 30 FFEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459519950 515615131 /nfs/dbraw/zinc/61/51/31/515615131.db2.gz SHSNGRPCWRYDPB-LBPRGKRZSA-N 1 2 356.348 2.782 20 30 FFEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459519950 515615139 /nfs/dbraw/zinc/61/51/39/515615139.db2.gz SHSNGRPCWRYDPB-LBPRGKRZSA-N 1 2 356.348 2.782 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459562719 515649386 /nfs/dbraw/zinc/64/93/86/515649386.db2.gz OWDBYXYJTNXSJA-UZLBHIALSA-N 1 2 358.438 2.826 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459562719 515649392 /nfs/dbraw/zinc/64/93/92/515649392.db2.gz OWDBYXYJTNXSJA-UZLBHIALSA-N 1 2 358.438 2.826 20 30 FFEDLO N#Cc1cc(F)cc(C2(C(=O)NCc3[nH+]ccn3CC(F)(F)F)CC2)c1 ZINC000510829407 515683393 /nfs/dbraw/zinc/68/33/93/515683393.db2.gz XKQJHOGEROQJLE-UHFFFAOYSA-N 1 2 366.318 2.804 20 30 FFEDLO CC1(C#N)CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000482586745 515729174 /nfs/dbraw/zinc/72/91/74/515729174.db2.gz MNDSIWJHXMJIKW-OAHLLOKOSA-N 1 2 362.271 2.958 20 30 FFEDLO COc1ccccc1[C@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1ccco1 ZINC000469247560 515741285 /nfs/dbraw/zinc/74/12/85/515741285.db2.gz MXTKPFDEVQJCNI-KSSFIOAISA-N 1 2 353.422 2.918 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000506052305 515763615 /nfs/dbraw/zinc/76/36/15/515763615.db2.gz SSVPVPHQLOVSEX-UHFFFAOYSA-N 1 2 371.510 2.891 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000506052305 515763622 /nfs/dbraw/zinc/76/36/22/515763622.db2.gz SSVPVPHQLOVSEX-UHFFFAOYSA-N 1 2 371.510 2.891 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCCCC1 ZINC000473922607 515803458 /nfs/dbraw/zinc/80/34/58/515803458.db2.gz VXOLDSVUVVZVLM-HNNXBMFYSA-N 1 2 364.490 2.778 20 30 FFEDLO C=CCC1(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCCCC1 ZINC000454883646 515810221 /nfs/dbraw/zinc/81/02/21/515810221.db2.gz BEHJXMPYDUUVLR-UHFFFAOYSA-N 1 2 361.490 2.616 20 30 FFEDLO Cc1cc(C(=O)NCCCNc2cccc[nH+]2)nn1-c1cccc(C#N)c1 ZINC000506491647 515897601 /nfs/dbraw/zinc/89/76/01/515897601.db2.gz AAIOZISOSUAIDY-UHFFFAOYSA-N 1 2 360.421 2.679 20 30 FFEDLO Cc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)[nH+]1 ZINC000506680667 515951025 /nfs/dbraw/zinc/95/10/25/515951025.db2.gz ICDRICIHFWMFFQ-GOSISDBHSA-N 1 2 363.421 2.887 20 30 FFEDLO COc1ccc(OC(F)F)c(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000506689846 515954993 /nfs/dbraw/zinc/95/49/93/515954993.db2.gz NNMOWHKTJPBYNC-UHFFFAOYSA-N 1 2 374.391 2.885 20 30 FFEDLO C=CCC1(C(=O)NCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)CCC1 ZINC000479080644 516049619 /nfs/dbraw/zinc/04/96/19/516049619.db2.gz VZVZCSVXSYCKBH-UHFFFAOYSA-N 1 2 358.482 2.925 20 30 FFEDLO C=CCC1(C(=O)NCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)CCC1 ZINC000479080644 516049627 /nfs/dbraw/zinc/04/96/27/516049627.db2.gz VZVZCSVXSYCKBH-UHFFFAOYSA-N 1 2 358.482 2.925 20 30 FFEDLO Cc1[nH]c2ccc(CN3C(=O)N[C@](C)(c4ccc(C#N)cc4)C3=O)cc2[nH+]1 ZINC000460451775 516154703 /nfs/dbraw/zinc/15/47/03/516154703.db2.gz DBQSMOGGXKHZKF-HXUWFJFHSA-N 1 2 359.389 2.710 20 30 FFEDLO Cc1[nH]c2cc(CN3C(=O)N[C@](C)(c4ccc(C#N)cc4)C3=O)ccc2[nH+]1 ZINC000460451775 516154709 /nfs/dbraw/zinc/15/47/09/516154709.db2.gz DBQSMOGGXKHZKF-HXUWFJFHSA-N 1 2 359.389 2.710 20 30 FFEDLO Cc1cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nn1-c1cccc(C#N)c1 ZINC000507299283 516162442 /nfs/dbraw/zinc/16/24/42/516162442.db2.gz GNAAZVUEIZVKEE-FOIQADDNSA-N 1 2 374.448 2.972 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000488240163 516173074 /nfs/dbraw/zinc/17/30/74/516173074.db2.gz FMTUUFHYZNYJTQ-DLBZAZTESA-N 1 2 372.513 2.786 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCc1ccccc1F ZINC000512152318 516176183 /nfs/dbraw/zinc/17/61/83/516176183.db2.gz MLPUMTMTJPPNBZ-HNNXBMFYSA-N 1 2 360.429 2.994 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCc1ccccc1F ZINC000512152318 516176189 /nfs/dbraw/zinc/17/61/89/516176189.db2.gz MLPUMTMTJPPNBZ-HNNXBMFYSA-N 1 2 360.429 2.994 20 30 FFEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000507746148 516292892 /nfs/dbraw/zinc/29/28/92/516292892.db2.gz CWBGXSDFCSOOIF-INIZCTEOSA-N 1 2 363.452 2.844 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)CNc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000497469705 516323105 /nfs/dbraw/zinc/32/31/05/516323105.db2.gz IZPKHBVLOPROPY-UYAOXDASSA-N 1 2 370.403 2.810 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)CNc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000497469705 516323106 /nfs/dbraw/zinc/32/31/06/516323106.db2.gz IZPKHBVLOPROPY-UYAOXDASSA-N 1 2 370.403 2.810 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCC(C)(C)C#N)[C@@H](C)C1 ZINC000512777773 516355737 /nfs/dbraw/zinc/35/57/37/516355737.db2.gz IREZOJBSOFWZSA-INIZCTEOSA-N 1 2 358.486 2.851 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCC(C)(C)C#N)[C@@H](C)C1 ZINC000512777773 516355744 /nfs/dbraw/zinc/35/57/44/516355744.db2.gz IREZOJBSOFWZSA-INIZCTEOSA-N 1 2 358.486 2.851 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2ccc(OC)cc2CC1 ZINC000535554073 516396584 /nfs/dbraw/zinc/39/65/84/516396584.db2.gz KEIPTBZSQZDKEZ-FQEVSTJZSA-N 1 2 350.418 2.882 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCc2ccc(OC)cc2CC1 ZINC000535554073 516396589 /nfs/dbraw/zinc/39/65/89/516396589.db2.gz KEIPTBZSQZDKEZ-FQEVSTJZSA-N 1 2 350.418 2.882 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC000528423105 516426985 /nfs/dbraw/zinc/42/69/85/516426985.db2.gz GIHVEFHCZDIHCZ-ZBFHGGJFSA-N 1 2 352.381 2.716 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC000528423105 516426992 /nfs/dbraw/zinc/42/69/92/516426992.db2.gz GIHVEFHCZDIHCZ-ZBFHGGJFSA-N 1 2 352.381 2.716 20 30 FFEDLO CCn1ccnc1[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000528483515 516471204 /nfs/dbraw/zinc/47/12/04/516471204.db2.gz AXQQUQGTIDEXHU-QZTJIDSGSA-N 1 2 354.454 2.742 20 30 FFEDLO CCn1ccnc1[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000528483515 516471214 /nfs/dbraw/zinc/47/12/14/516471214.db2.gz AXQQUQGTIDEXHU-QZTJIDSGSA-N 1 2 354.454 2.742 20 30 FFEDLO CS(=O)(=O)c1cc(C[NH2+]C[C@H](C#N)CCC#N)cc(C(F)(F)F)c1 ZINC000550999828 516516238 /nfs/dbraw/zinc/51/62/38/516516238.db2.gz OGPBSDBDLQSCNV-NSHDSACASA-N 1 2 359.373 2.642 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cnccc2C#N)[C@H](C)C1 ZINC000518250995 516589330 /nfs/dbraw/zinc/58/93/30/516589330.db2.gz NQWZTTVHQMYDHM-MRXNPFEDSA-N 1 2 364.449 2.698 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cnccc2C#N)[C@H](C)C1 ZINC000518250995 516589336 /nfs/dbraw/zinc/58/93/36/516589336.db2.gz NQWZTTVHQMYDHM-MRXNPFEDSA-N 1 2 364.449 2.698 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000544111212 516589538 /nfs/dbraw/zinc/58/95/38/516589538.db2.gz ZXJYFGRNRGJHCR-SNVBAGLBSA-N 1 2 372.288 2.659 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000544111212 516589548 /nfs/dbraw/zinc/58/95/48/516589548.db2.gz ZXJYFGRNRGJHCR-SNVBAGLBSA-N 1 2 372.288 2.659 20 30 FFEDLO CCc1nc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000518609623 516720886 /nfs/dbraw/zinc/72/08/86/516720886.db2.gz UOAYIEKETMXGBG-UHFFFAOYSA-N 1 2 369.494 2.605 20 30 FFEDLO C=CCSCCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000514022506 516835407 /nfs/dbraw/zinc/83/54/07/516835407.db2.gz NMCUOEOPVIBLTO-GOSISDBHSA-N 1 2 363.527 2.587 20 30 FFEDLO CCc1ccc(CNC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)s1 ZINC000558629114 516846982 /nfs/dbraw/zinc/84/69/82/516846982.db2.gz QWSYEVWGYGFDCG-UHFFFAOYSA-N 1 2 368.506 2.879 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000514108994 516865643 /nfs/dbraw/zinc/86/56/43/516865643.db2.gz IJPXSZHDBONZLV-HKUYNNGSSA-N 1 2 373.497 2.684 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000514108994 516865652 /nfs/dbraw/zinc/86/56/52/516865652.db2.gz IJPXSZHDBONZLV-HKUYNNGSSA-N 1 2 373.497 2.684 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c(C#N)c1C ZINC000519176959 516912145 /nfs/dbraw/zinc/91/21/45/516912145.db2.gz OSKCQPHLUIFJOH-INIZCTEOSA-N 1 2 355.442 2.566 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c(C#N)c1C ZINC000519176959 516912156 /nfs/dbraw/zinc/91/21/56/516912156.db2.gz OSKCQPHLUIFJOH-INIZCTEOSA-N 1 2 355.442 2.566 20 30 FFEDLO Cc1nc(N2CCN(Cc3ccc(C#N)cc3OC(F)F)CC2)cc[nH+]1 ZINC000544760892 516915770 /nfs/dbraw/zinc/91/57/70/516915770.db2.gz QNDIRFOYEAOPAH-UHFFFAOYSA-N 1 2 359.380 2.580 20 30 FFEDLO Cc1cc(Br)cn2cc(CNC(=O)C3(C#N)CC(C)C3)[nH+]c12 ZINC000544770799 516921661 /nfs/dbraw/zinc/92/16/61/516921661.db2.gz IALSXZXZCWSVRQ-UHFFFAOYSA-N 1 2 361.243 2.961 20 30 FFEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3csc(C4CC4)n3)C2=O)cc1 ZINC000555517492 516951129 /nfs/dbraw/zinc/95/11/29/516951129.db2.gz YYODOMFNPHBTCB-QGZVFWFLSA-N 1 2 352.463 2.783 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000558865731 516978333 /nfs/dbraw/zinc/97/83/33/516978333.db2.gz LSYNWBOBIQDXLZ-ZJUUUORDSA-N 1 2 355.410 2.749 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000558865731 516978339 /nfs/dbraw/zinc/97/83/39/516978339.db2.gz LSYNWBOBIQDXLZ-ZJUUUORDSA-N 1 2 355.410 2.749 20 30 FFEDLO COCc1ccc(NC(=O)N2CCN(c3c[nH+]ccc3C)CC2)cc1C#N ZINC000529205659 517004176 /nfs/dbraw/zinc/00/41/76/517004176.db2.gz QNNDRHFQIWIEKG-UHFFFAOYSA-N 1 2 365.437 2.762 20 30 FFEDLO COc1ccccc1O[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000552030178 517039455 /nfs/dbraw/zinc/03/94/55/517039455.db2.gz BZBCNMCQLWWNAB-QGZVFWFLSA-N 1 2 371.481 2.881 20 30 FFEDLO COc1ccccc1O[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000552030178 517039463 /nfs/dbraw/zinc/03/94/63/517039463.db2.gz BZBCNMCQLWWNAB-QGZVFWFLSA-N 1 2 371.481 2.881 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC000519548307 517040213 /nfs/dbraw/zinc/04/02/13/517040213.db2.gz SDGCFHGNBIYLRL-HXUWFJFHSA-N 1 2 369.469 2.899 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@H](OCC(F)(F)F)C3)C2=O)cc1 ZINC000532588955 517048501 /nfs/dbraw/zinc/04/85/01/517048501.db2.gz VGUHFUILQNZOLV-HZPDHXFCSA-N 1 2 367.371 2.707 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@@H](OCC(F)(F)F)C3)C2=O)cc1 ZINC000532588955 517048512 /nfs/dbraw/zinc/04/85/12/517048512.db2.gz VGUHFUILQNZOLV-HZPDHXFCSA-N 1 2 367.371 2.707 20 30 FFEDLO C=CCOc1cccnc1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000537136049 517051457 /nfs/dbraw/zinc/05/14/57/517051457.db2.gz ICZRVRKFJGXPAL-UHFFFAOYSA-N 1 2 366.465 2.646 20 30 FFEDLO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000562477657 517133014 /nfs/dbraw/zinc/13/30/14/517133014.db2.gz MWBQCYZBXVOSKD-KUHUBIRLSA-N 1 2 360.889 2.659 20 30 FFEDLO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000562477657 517133022 /nfs/dbraw/zinc/13/30/22/517133022.db2.gz MWBQCYZBXVOSKD-KUHUBIRLSA-N 1 2 360.889 2.659 20 30 FFEDLO CCOc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(F)cc1OC ZINC000529522291 517197219 /nfs/dbraw/zinc/19/72/19/517197219.db2.gz URZUAJFENJHMTO-UHFFFAOYSA-N 1 2 370.428 2.822 20 30 FFEDLO Cn1c2ccc(CNS(=O)(=O)c3ccc(C#N)cc3)cc2[nH+]c1C1CC1 ZINC000555947529 517200349 /nfs/dbraw/zinc/20/03/49/517200349.db2.gz RUOYCJJPRGLXMO-UHFFFAOYSA-N 1 2 366.446 2.801 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)CC2(C#N)CCCCC2)CC1(C)C ZINC000556339031 517376182 /nfs/dbraw/zinc/37/61/82/517376182.db2.gz ANCXYGWUXRUVRP-CQSZACIVSA-N 1 2 350.488 2.607 20 30 FFEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000515935258 517517828 /nfs/dbraw/zinc/51/78/28/517517828.db2.gz ZBAWWYBEBOPSPK-HXUWFJFHSA-N 1 2 362.433 2.968 20 30 FFEDLO CS(=O)(=O)c1cc(C[NH2+]Cc2ccc(C#N)o2)cc(C(F)(F)F)c1 ZINC000560073039 517564833 /nfs/dbraw/zinc/56/48/33/517564833.db2.gz WOQSNWGDFXLIRV-UHFFFAOYSA-N 1 2 358.341 2.863 20 30 FFEDLO C=CC[C@@H](CO)NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000538404628 517605648 /nfs/dbraw/zinc/60/56/48/517605648.db2.gz LLLCAEUWLCQQKE-BBRMVZONSA-N 1 2 369.868 2.852 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000560205211 517635985 /nfs/dbraw/zinc/63/59/85/517635985.db2.gz ISBAYOCBJYOKTA-LBPRGKRZSA-N 1 2 350.260 2.568 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCc2ccc(Br)cc2C1 ZINC000560205211 517635995 /nfs/dbraw/zinc/63/59/95/517635995.db2.gz ISBAYOCBJYOKTA-LBPRGKRZSA-N 1 2 350.260 2.568 20 30 FFEDLO CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000563220566 517748563 /nfs/dbraw/zinc/74/85/63/517748563.db2.gz RBCXGEQHHPCZFA-GOSISDBHSA-N 1 2 364.877 2.898 20 30 FFEDLO COc1cc(-n2cccc2)c(Cl)cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000563220546 517748691 /nfs/dbraw/zinc/74/86/91/517748691.db2.gz QRIUAIDFPLIPNG-GOSISDBHSA-N 1 2 360.845 2.713 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2C)c1C#N ZINC000530465910 517792465 /nfs/dbraw/zinc/79/24/65/517792465.db2.gz IGIDIBCBJAGBFZ-GUYCJALGSA-N 1 2 358.486 2.875 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1C#N ZINC000530465910 517792474 /nfs/dbraw/zinc/79/24/74/517792474.db2.gz IGIDIBCBJAGBFZ-GUYCJALGSA-N 1 2 358.486 2.875 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)ccn1 ZINC000534221069 517792586 /nfs/dbraw/zinc/79/25/86/517792586.db2.gz ZQGYWARHEGOESZ-UHFFFAOYSA-N 1 2 359.433 2.832 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000550044017 517833499 /nfs/dbraw/zinc/83/34/99/517833499.db2.gz DQFPWVVYQJLFNI-PBHICJAKSA-N 1 2 365.905 2.920 20 30 FFEDLO Cc1cc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ncc1Cl ZINC000527681701 517844951 /nfs/dbraw/zinc/84/49/51/517844951.db2.gz ASAKNLQZDGDRHL-UHFFFAOYSA-N 1 2 368.868 2.802 20 30 FFEDLO CCc1cc(N2CCN(c3cccc(C#N)n3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000546884233 517903774 /nfs/dbraw/zinc/90/37/74/517903774.db2.gz SEPOEVLKHOWACM-UHFFFAOYSA-N 1 2 371.448 2.694 20 30 FFEDLO COc1cc(C[NH2+]CC2(C#N)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000563497698 517938700 /nfs/dbraw/zinc/93/87/00/517938700.db2.gz NYBHWIPJTMUGIO-UHFFFAOYSA-N 1 2 359.304 2.938 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000563767935 518114364 /nfs/dbraw/zinc/11/43/64/518114364.db2.gz BZUPRXYNEGKFIG-DOMZBBRYSA-N 1 2 372.375 2.712 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000563767935 518114374 /nfs/dbraw/zinc/11/43/74/518114374.db2.gz BZUPRXYNEGKFIG-DOMZBBRYSA-N 1 2 372.375 2.712 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCSC[C@@H]2C2CCC2)c1 ZINC000572467561 518208453 /nfs/dbraw/zinc/20/84/53/518208453.db2.gz BJWLGLAQXUBSJE-QGZVFWFLSA-N 1 2 350.509 2.549 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCSC[C@@H]2C2CCC2)c1 ZINC000572467561 518208454 /nfs/dbraw/zinc/20/84/54/518208454.db2.gz BJWLGLAQXUBSJE-QGZVFWFLSA-N 1 2 350.509 2.549 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000569779362 518283994 /nfs/dbraw/zinc/28/39/94/518283994.db2.gz KXURNAOJYROOQU-LJQANCHMSA-N 1 2 362.473 2.879 20 30 FFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000572646525 518291923 /nfs/dbraw/zinc/29/19/23/518291923.db2.gz ZGVPYBONBDFGRU-HNNXBMFYSA-N 1 2 352.891 2.953 20 30 FFEDLO COCc1cc(N(C)CCCc2[nH]nc(N)c2C#N)c2cc(F)ccc2[nH+]1 ZINC000584383099 518310501 /nfs/dbraw/zinc/31/05/01/518310501.db2.gz DUDSOQAKOZUIOO-UHFFFAOYSA-N 1 2 368.416 2.597 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc(Cl)c1OC ZINC000567103344 518353103 /nfs/dbraw/zinc/35/31/03/518353103.db2.gz HXMHBRCWWCIBGH-UHFFFAOYSA-N 1 2 372.856 2.946 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N(CCC#N)Cc1cccnc1)C(F)(F)F ZINC000584478186 518360378 /nfs/dbraw/zinc/36/03/78/518360378.db2.gz KGPWYMVYVURWMZ-CQSZACIVSA-N 1 2 365.359 2.794 20 30 FFEDLO N#Cc1ccc(C[NH2+]Cc2nnnn2-c2ccccc2)c(C(F)(F)F)c1 ZINC000564408153 518437806 /nfs/dbraw/zinc/43/78/06/518437806.db2.gz XCOFRJVIMRETLV-UHFFFAOYSA-N 1 2 358.327 2.843 20 30 FFEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3cccnc3C#N)CC2)cs1 ZINC000576166678 518461336 /nfs/dbraw/zinc/46/13/36/518461336.db2.gz YVVMBUCBRNPBIB-CQSZACIVSA-N 1 2 357.483 2.829 20 30 FFEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3cccnc3C#N)CC2)cs1 ZINC000576166678 518461343 /nfs/dbraw/zinc/46/13/43/518461343.db2.gz YVVMBUCBRNPBIB-CQSZACIVSA-N 1 2 357.483 2.829 20 30 FFEDLO C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000576293975 518521712 /nfs/dbraw/zinc/52/17/12/518521712.db2.gz AKILOQDRZDDPFB-UHFFFAOYSA-N 1 2 369.513 2.522 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000581981881 518530247 /nfs/dbraw/zinc/53/02/47/518530247.db2.gz LPACZECGXVCNKL-KURKYZTESA-N 1 2 354.454 2.790 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)c2cc(F)ccc2C[NH2+]1 ZINC000582181459 518627251 /nfs/dbraw/zinc/62/72/51/518627251.db2.gz YLDFWHPWJGFRNE-CQSZACIVSA-N 1 2 373.453 2.720 20 30 FFEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCSC2CCCCC2)c1=O ZINC000567672431 518644493 /nfs/dbraw/zinc/64/44/93/518644493.db2.gz AXJXYHNFYTXZSB-UHFFFAOYSA-N 1 2 361.511 2.618 20 30 FFEDLO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c2[nH+]ccn21 ZINC000570594583 518685178 /nfs/dbraw/zinc/68/51/78/518685178.db2.gz OSCFKZHDSJVXES-SKDRFNHKSA-N 1 2 370.356 2.758 20 30 FFEDLO N#Cc1cnn2cc(C[N@@H+]3CCO[C@H](c4ccc(Cl)cc4)C3)cnc12 ZINC000573564781 518729998 /nfs/dbraw/zinc/72/99/98/518729998.db2.gz QTCBERYQRBFSML-KRWDZBQOSA-N 1 2 353.813 2.828 20 30 FFEDLO N#Cc1cnn2cc(C[N@H+]3CCO[C@H](c4ccc(Cl)cc4)C3)cnc12 ZINC000573564781 518730002 /nfs/dbraw/zinc/73/00/02/518730002.db2.gz QTCBERYQRBFSML-KRWDZBQOSA-N 1 2 353.813 2.828 20 30 FFEDLO COC(=O)[C@H]([C@@H](C)O)[N@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000582455239 518758787 /nfs/dbraw/zinc/75/87/87/518758787.db2.gz KGYHKFMOYGEGBH-UZLBHIALSA-N 1 2 352.434 2.677 20 30 FFEDLO COC(=O)[C@H]([C@@H](C)O)[N@@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000582455239 518758799 /nfs/dbraw/zinc/75/87/99/518758799.db2.gz KGYHKFMOYGEGBH-UZLBHIALSA-N 1 2 352.434 2.677 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000567995239 518822874 /nfs/dbraw/zinc/82/28/74/518822874.db2.gz FPDYEQCWJLUFRO-SFHVURJKSA-N 1 2 356.451 2.574 20 30 FFEDLO N#Cc1cc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)ccc1OC(F)(F)F ZINC000576994265 518864041 /nfs/dbraw/zinc/86/40/41/518864041.db2.gz NISMWVVQYQONRX-SNVBAGLBSA-N 1 2 350.300 2.854 20 30 FFEDLO N#Cc1ccncc1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000588920161 518869719 /nfs/dbraw/zinc/86/97/19/518869719.db2.gz CRSXCWYMLSGPKR-UHFFFAOYSA-N 1 2 371.404 2.842 20 30 FFEDLO C[NH+]1CCN(CCCCNc2cc(Br)c(C#N)cc2F)CC1 ZINC000573933972 518908340 /nfs/dbraw/zinc/90/83/40/518908340.db2.gz MVBIWLLIGVPHFT-UHFFFAOYSA-N 1 2 369.282 2.899 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(Br)cc2cccnc21 ZINC000577180805 518953432 /nfs/dbraw/zinc/95/34/32/518953432.db2.gz JBXUKLYLYNYVQL-INIZCTEOSA-N 1 2 361.243 2.571 20 30 FFEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000589287537 518972958 /nfs/dbraw/zinc/97/29/58/518972958.db2.gz FSUKBBHWHHDKFE-UHFFFAOYSA-N 1 2 353.451 2.526 20 30 FFEDLO Cc1nsc(N2CCN(Cc3c[nH+]c4cccc(C)n34)CC2)c1C#N ZINC000589520734 519024268 /nfs/dbraw/zinc/02/42/68/519024268.db2.gz WBFOZVSOSGOSIQ-UHFFFAOYSA-N 1 2 352.467 2.602 20 30 FFEDLO N#CCc1cccc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)c1 ZINC000589588906 519036062 /nfs/dbraw/zinc/03/60/62/519036062.db2.gz NLNRJYQIRMWIOM-UHFFFAOYSA-N 1 2 355.341 2.905 20 30 FFEDLO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NCCCCn2cc[nH+]c2)s1 ZINC000574402683 519139175 /nfs/dbraw/zinc/13/91/75/519139175.db2.gz AJRNFWXUMGMLHX-UHFFFAOYSA-N 1 2 373.482 2.649 20 30 FFEDLO CCC(=O)N1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000583377513 519218084 /nfs/dbraw/zinc/21/80/84/519218084.db2.gz GKWQPWQCOHTLLN-ZDUSSCGKSA-N 1 2 374.510 2.585 20 30 FFEDLO CCC(=O)N1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000583377513 519218093 /nfs/dbraw/zinc/21/80/93/519218093.db2.gz GKWQPWQCOHTLLN-ZDUSSCGKSA-N 1 2 374.510 2.585 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000583417797 519235239 /nfs/dbraw/zinc/23/52/39/519235239.db2.gz YGHXPRVFUDMJOO-GUYCJALGSA-N 1 2 354.385 2.573 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000583417797 519235242 /nfs/dbraw/zinc/23/52/42/519235242.db2.gz YGHXPRVFUDMJOO-GUYCJALGSA-N 1 2 354.385 2.573 20 30 FFEDLO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000583479790 519269108 /nfs/dbraw/zinc/26/91/08/519269108.db2.gz WWRRQSFIGRYRIY-IUODEOHRSA-N 1 2 361.243 2.588 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@H]2c2ccc(F)cc2)cc1 ZINC000590761606 519356027 /nfs/dbraw/zinc/35/60/27/519356027.db2.gz FPKWZZJYBZJXPM-CTNGQTDRSA-N 1 2 370.424 2.705 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@H]2c2ccc(F)cc2)cc1 ZINC000590761606 519356036 /nfs/dbraw/zinc/35/60/36/519356036.db2.gz FPKWZZJYBZJXPM-CTNGQTDRSA-N 1 2 370.424 2.705 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000566199397 519364517 /nfs/dbraw/zinc/36/45/17/519364517.db2.gz URDGINOGEHRSQD-WBVHZDCISA-N 1 2 357.364 2.798 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000566199397 519364524 /nfs/dbraw/zinc/36/45/24/519364524.db2.gz URDGINOGEHRSQD-WBVHZDCISA-N 1 2 357.364 2.798 20 30 FFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000574889386 519387781 /nfs/dbraw/zinc/38/77/81/519387781.db2.gz YBBPXEZRAFISDK-NXVRBGIVSA-N 1 2 352.438 2.966 20 30 FFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000574889386 519387784 /nfs/dbraw/zinc/38/77/84/519387784.db2.gz YBBPXEZRAFISDK-NXVRBGIVSA-N 1 2 352.438 2.966 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000572030835 519407828 /nfs/dbraw/zinc/40/78/28/519407828.db2.gz ZYBMCQFPIGMCQJ-UYAOXDASSA-N 1 2 369.852 2.636 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000572030835 519407832 /nfs/dbraw/zinc/40/78/32/519407832.db2.gz ZYBMCQFPIGMCQJ-UYAOXDASSA-N 1 2 369.852 2.636 20 30 FFEDLO N#Cc1cccc(NC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC000569240721 519449983 /nfs/dbraw/zinc/44/99/83/519449983.db2.gz GJVURFRIPHLLLM-UHFFFAOYSA-N 1 2 355.829 2.956 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 ZINC000590954598 519456342 /nfs/dbraw/zinc/45/63/42/519456342.db2.gz WFARUWUACCICDH-SFHVURJKSA-N 1 2 351.454 2.515 20 30 FFEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000591015734 519478003 /nfs/dbraw/zinc/47/80/03/519478003.db2.gz LRKVFOBDPPRWIN-AWEZNQCLSA-N 1 2 374.510 2.935 20 30 FFEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000591015734 519478006 /nfs/dbraw/zinc/47/80/06/519478006.db2.gz LRKVFOBDPPRWIN-AWEZNQCLSA-N 1 2 374.510 2.935 20 30 FFEDLO N#CCC(=O)N1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000566423600 519484188 /nfs/dbraw/zinc/48/41/88/519484188.db2.gz DVSBHSSZQKLLGE-UHFFFAOYSA-N 1 2 373.254 2.555 20 30 FFEDLO COC(=O)c1sc2[nH]c(C[NH+]3CCC(CCC#N)CC3)nc(=O)c2c1C ZINC000578319829 519532759 /nfs/dbraw/zinc/53/27/59/519532759.db2.gz YJRPUXLGBWKYQZ-UHFFFAOYSA-N 1 2 374.466 2.595 20 30 FFEDLO Cc1noc([C@H]2CCC[N@@H+]2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000566577624 519560535 /nfs/dbraw/zinc/56/05/35/519560535.db2.gz PHBNNOPIBGGXSI-SJORKVTESA-N 1 2 351.410 2.582 20 30 FFEDLO Cc1noc([C@H]2CCC[N@H+]2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000566577624 519560541 /nfs/dbraw/zinc/56/05/41/519560541.db2.gz PHBNNOPIBGGXSI-SJORKVTESA-N 1 2 351.410 2.582 20 30 FFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000591334987 519595383 /nfs/dbraw/zinc/59/53/83/519595383.db2.gz BRPGVGUZZIUWBQ-HKUYNNGSSA-N 1 2 361.449 2.909 20 30 FFEDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C[C@H](C)N1CC#N ZINC000602851226 519923923 /nfs/dbraw/zinc/92/39/23/519923923.db2.gz VCEGLCWKVXIJBL-IIYDPXPESA-N 1 2 364.852 2.503 20 30 FFEDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C[C@H](C)N1CC#N ZINC000602851226 519923928 /nfs/dbraw/zinc/92/39/28/519923928.db2.gz VCEGLCWKVXIJBL-IIYDPXPESA-N 1 2 364.852 2.503 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)n2C)C[C@H](C)N1CC#N ZINC000602853666 519926795 /nfs/dbraw/zinc/92/67/95/519926795.db2.gz KUSZELOZFDXXIF-OKILXGFUSA-N 1 2 358.877 2.554 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(Cl)cc3)n2C)C[C@H](C)N1CC#N ZINC000602853666 519926798 /nfs/dbraw/zinc/92/67/98/519926798.db2.gz KUSZELOZFDXXIF-OKILXGFUSA-N 1 2 358.877 2.554 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856225 519928866 /nfs/dbraw/zinc/92/88/66/519928866.db2.gz JHUXVARXNRWJRB-MELADBBJSA-N 1 2 366.412 2.533 20 30 FFEDLO C[C@H]1C[NH+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H](C)N1CC#N ZINC000602862145 519933929 /nfs/dbraw/zinc/93/39/29/519933929.db2.gz MPZALJAJRMLHKR-STQMWFEESA-N 1 2 354.376 2.562 20 30 FFEDLO Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(Nc3ccccc3C#N)CC2)on1 ZINC000602899024 519959704 /nfs/dbraw/zinc/95/97/04/519959704.db2.gz RHUMBUIJQBKXLS-AWEZNQCLSA-N 1 2 353.426 2.758 20 30 FFEDLO COC(=O)c1coc([C@@H](C)[NH+]2CCC(Nc3ccccc3C#N)CC2)n1 ZINC000602902179 519961369 /nfs/dbraw/zinc/96/13/69/519961369.db2.gz UWIJQPKVOSBZGN-CYBMUJFWSA-N 1 2 354.410 2.970 20 30 FFEDLO N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000594446761 519971845 /nfs/dbraw/zinc/97/18/45/519971845.db2.gz SASIOTLNVTWRPB-IAGOWNOFSA-N 1 2 372.517 2.970 20 30 FFEDLO Cc1cc(NC(=O)N2CCN(CCC#N)CC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000602928815 519977486 /nfs/dbraw/zinc/97/74/86/519977486.db2.gz BANNPINATADJAV-KRWDZBQOSA-N 1 2 370.501 2.832 20 30 FFEDLO Cc1[nH]ncc1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000602937239 519982418 /nfs/dbraw/zinc/98/24/18/519982418.db2.gz IIXOKBYWEVLVEZ-UHFFFAOYSA-N 1 2 357.483 2.991 20 30 FFEDLO Cc1[nH]ncc1C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000602937239 519982424 /nfs/dbraw/zinc/98/24/24/519982424.db2.gz IIXOKBYWEVLVEZ-UHFFFAOYSA-N 1 2 357.483 2.991 20 30 FFEDLO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000594582090 520037336 /nfs/dbraw/zinc/03/73/36/520037336.db2.gz ISIFXHROGIVVFK-UHFFFAOYSA-N 1 2 350.469 2.657 20 30 FFEDLO COc1ccc(Cl)cc1N1C(=O)C[C@@H]([N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000594659544 520070500 /nfs/dbraw/zinc/07/05/00/520070500.db2.gz DSYPRFDGGGWJKB-IUODEOHRSA-N 1 2 361.829 2.606 20 30 FFEDLO COc1ccc(Cl)cc1N1C(=O)C[C@@H]([N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000594659544 520070507 /nfs/dbraw/zinc/07/05/07/520070507.db2.gz DSYPRFDGGGWJKB-IUODEOHRSA-N 1 2 361.829 2.606 20 30 FFEDLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](N(C)c4cccc(C#N)c4)C3)ccn12 ZINC000603151011 520113073 /nfs/dbraw/zinc/11/30/73/520113073.db2.gz MJDQDOBKFUCIAP-LJQANCHMSA-N 1 2 359.433 2.865 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000594756945 520136421 /nfs/dbraw/zinc/13/64/21/520136421.db2.gz FCYOWABZFBMOTF-HNNXBMFYSA-N 1 2 373.503 2.716 20 30 FFEDLO N#CC(CCn1cc([C@H]2COCC[NH2+]2)nn1)(c1ccccc1)c1ccccc1 ZINC000603177942 520139891 /nfs/dbraw/zinc/13/98/91/520139891.db2.gz HAZZJJUWDWXZEL-OAQYLSRUSA-N 1 2 373.460 2.839 20 30 FFEDLO N#CC1(CCCn2cc(C[NH2+]Cc3ccc(F)cc3)nn2)CCOCC1 ZINC000603235610 520172477 /nfs/dbraw/zinc/17/24/77/520172477.db2.gz SPXNOWGRHVUOBV-UHFFFAOYSA-N 1 2 357.433 2.808 20 30 FFEDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cn(CC3(C#N)CCC3)nn2)CC1 ZINC000603258057 520186020 /nfs/dbraw/zinc/18/60/20/520186020.db2.gz YCLMTMHZKPJDBO-UHFFFAOYSA-N 1 2 359.474 2.526 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000603270964 520189572 /nfs/dbraw/zinc/18/95/72/520189572.db2.gz CDIWTPWALKUASM-UHFFFAOYSA-N 1 2 360.421 2.588 20 30 FFEDLO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592148189 520223675 /nfs/dbraw/zinc/22/36/75/520223675.db2.gz WLZYJJYSKLIIJN-PZJWPPBQSA-N 1 2 365.433 2.725 20 30 FFEDLO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592148189 520223680 /nfs/dbraw/zinc/22/36/80/520223680.db2.gz WLZYJJYSKLIIJN-PZJWPPBQSA-N 1 2 365.433 2.725 20 30 FFEDLO Cn1cc[nH+]c1[C@H](CC(=O)NCCc1ccc(C#N)cc1)C(F)(F)F ZINC000597889403 520308024 /nfs/dbraw/zinc/30/80/24/520308024.db2.gz GAMKWYDGRBOHBK-AWEZNQCLSA-N 1 2 350.344 2.687 20 30 FFEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3cccc(F)c3C#N)CC2)[C@H]1C ZINC000603601834 520323144 /nfs/dbraw/zinc/32/31/44/520323144.db2.gz MGHHFROYVAGXOG-JTDSTZFVSA-N 1 2 372.488 2.760 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000609484346 520328186 /nfs/dbraw/zinc/32/81/86/520328186.db2.gz AXKFOGOPSZBFRF-VQIMIIECSA-N 1 2 360.477 2.511 20 30 FFEDLO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609538678 520348192 /nfs/dbraw/zinc/34/81/92/520348192.db2.gz VLZUSDRDAAQVIB-AZUAARDMSA-N 1 2 356.514 2.508 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000609539079 520350119 /nfs/dbraw/zinc/35/01/19/520350119.db2.gz ROVJJRINBCUWAW-CTNGQTDRSA-N 1 2 370.541 2.978 20 30 FFEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609539317 520350406 /nfs/dbraw/zinc/35/04/06/520350406.db2.gz XNFVSYALIMWMJZ-CMKODMSKSA-N 1 2 356.514 2.727 20 30 FFEDLO N#Cc1cnn2cc(C[NH+]3CCN(c4ccccc4Cl)CC3)cnc12 ZINC000592496340 520418742 /nfs/dbraw/zinc/41/87/42/520418742.db2.gz HQADYESWDKWDQJ-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO N#Cc1cnn2cc(C[NH+]3C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C3)cnc12 ZINC000592504027 520424797 /nfs/dbraw/zinc/42/47/97/520424797.db2.gz DVKZZVCOGPTVLW-GHMZBOCLSA-N 1 2 363.265 2.774 20 30 FFEDLO COC(=O)C1CCN(c2ccc(-c3ccc(C#N)cc3CO)c[nH+]2)CC1 ZINC000600779846 520464236 /nfs/dbraw/zinc/46/42/36/520464236.db2.gz FTLYCOLHRMLZNM-UHFFFAOYSA-N 1 2 351.406 2.502 20 30 FFEDLO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000600830730 520492764 /nfs/dbraw/zinc/49/27/64/520492764.db2.gz XNYPFELNZJDXMQ-QAPCUYQASA-N 1 2 360.477 2.701 20 30 FFEDLO C[C@H]1C[NH+](CCN2CCC(Oc3ccc(C#N)cc3F)CC2)C[C@H](C)O1 ZINC000595483194 520500703 /nfs/dbraw/zinc/50/07/03/520500703.db2.gz JVZKBBHOARMJOK-HOTGVXAUSA-N 1 2 361.461 2.650 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604276220 520504769 /nfs/dbraw/zinc/50/47/69/520504769.db2.gz HMQBPCPWFKMBRT-MXWKQRLJSA-N 1 2 359.314 2.810 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604276220 520504773 /nfs/dbraw/zinc/50/47/73/520504773.db2.gz HMQBPCPWFKMBRT-MXWKQRLJSA-N 1 2 359.314 2.810 20 30 FFEDLO COC(=O)c1cccc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)c1C#N ZINC000595498189 520508120 /nfs/dbraw/zinc/50/81/20/520508120.db2.gz CRMKAJBXHMIOSC-GOSISDBHSA-N 1 2 353.422 2.589 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000604415959 520556367 /nfs/dbraw/zinc/55/63/67/520556367.db2.gz OPMOQDHCTACKBG-UHFFFAOYSA-N 1 2 374.510 2.719 20 30 FFEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC000595621129 520598665 /nfs/dbraw/zinc/59/86/65/520598665.db2.gz UESSLPDAYIUWSO-QAPCUYQASA-N 1 2 354.479 2.974 20 30 FFEDLO N#CC[C@H]1CCC[N@H+](CC(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC000595621129 520598667 /nfs/dbraw/zinc/59/86/67/520598667.db2.gz UESSLPDAYIUWSO-QAPCUYQASA-N 1 2 354.479 2.974 20 30 FFEDLO N#Cc1sccc1N1CC[NH+](CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000595630815 520607106 /nfs/dbraw/zinc/60/71/06/520607106.db2.gz LNSLGEPICLIGBP-UHFFFAOYSA-N 1 2 358.511 2.675 20 30 FFEDLO N#Cc1sccc1N1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000595630655 520607482 /nfs/dbraw/zinc/60/74/82/520607482.db2.gz JFFSPYNUUOUMCZ-UHFFFAOYSA-N 1 2 365.462 2.633 20 30 FFEDLO COc1ccnc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1 ZINC000595726420 520673258 /nfs/dbraw/zinc/67/32/58/520673258.db2.gz NIXUWVMRSJCPER-UHFFFAOYSA-N 1 2 374.448 2.674 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000595766404 520709428 /nfs/dbraw/zinc/70/94/28/520709428.db2.gz GWOPHJAALQTYDS-SLFFLAALSA-N 1 2 352.482 2.822 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593073140 520724740 /nfs/dbraw/zinc/72/47/40/520724740.db2.gz PXDPHINMDLZCEY-UHFFFAOYSA-N 1 2 371.391 2.804 20 30 FFEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000610520201 520725820 /nfs/dbraw/zinc/72/58/20/520725820.db2.gz NYWPXAZQXPXOPJ-UHFFFAOYSA-N 1 2 363.461 2.762 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)c1ccccc1CC#N ZINC000601292585 520727844 /nfs/dbraw/zinc/72/78/44/520727844.db2.gz ZAMXXKWLKOXBLY-UHFFFAOYSA-N 1 2 368.462 2.779 20 30 FFEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCOc2cccc(Br)c2C1 ZINC000598622364 520748109 /nfs/dbraw/zinc/74/81/09/520748109.db2.gz JBBAFPZNPOPDLR-GFCCVEGCSA-N 1 2 353.260 2.944 20 30 FFEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCOc2cccc(Br)c2C1 ZINC000598622364 520748113 /nfs/dbraw/zinc/74/81/13/520748113.db2.gz JBBAFPZNPOPDLR-GFCCVEGCSA-N 1 2 353.260 2.944 20 30 FFEDLO CC(C)(COCc1ccccc1)NC(=O)NCC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595842701 520760222 /nfs/dbraw/zinc/76/02/22/520760222.db2.gz GWCDWCQUAVGSHE-FQEVSTJZSA-N 1 2 358.486 2.517 20 30 FFEDLO CC(C)(COCc1ccccc1)NC(=O)NCC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595842701 520760226 /nfs/dbraw/zinc/76/02/26/520760226.db2.gz GWCDWCQUAVGSHE-FQEVSTJZSA-N 1 2 358.486 2.517 20 30 FFEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1CO ZINC000598648300 520760250 /nfs/dbraw/zinc/76/02/50/520760250.db2.gz FRXZKSPGLYJEJZ-KGLIPLIRSA-N 1 2 361.511 2.777 20 30 FFEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1CO ZINC000598648300 520760253 /nfs/dbraw/zinc/76/02/53/520760253.db2.gz FRXZKSPGLYJEJZ-KGLIPLIRSA-N 1 2 361.511 2.777 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@](C)(C#N)C2)cc1OC ZINC000595842175 520760394 /nfs/dbraw/zinc/76/03/94/520760394.db2.gz YJBZEFJFDLWMGR-OXJNMPFZSA-N 1 2 357.454 2.603 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@](C)(C#N)C2)cc1OC ZINC000595842175 520760399 /nfs/dbraw/zinc/76/03/99/520760399.db2.gz YJBZEFJFDLWMGR-OXJNMPFZSA-N 1 2 357.454 2.603 20 30 FFEDLO CN(C)c1c[nH+]ccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000614050628 520778443 /nfs/dbraw/zinc/77/84/43/520778443.db2.gz RZFJREOFOFYYHZ-UHFFFAOYSA-N 1 2 359.389 2.881 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000593153386 520784614 /nfs/dbraw/zinc/78/46/14/520784614.db2.gz MUWHTFYTBJZFGA-SQWLQELKSA-N 1 2 350.260 2.513 20 30 FFEDLO C[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@](C)(C(F)F)O1 ZINC000595913507 520819288 /nfs/dbraw/zinc/81/92/88/520819288.db2.gz FLGISEVEGMHQEA-ACWOFJMJSA-N 1 2 363.408 2.798 20 30 FFEDLO C[C@@H]1C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@](C)(C(F)F)O1 ZINC000595913507 520819292 /nfs/dbraw/zinc/81/92/92/520819292.db2.gz FLGISEVEGMHQEA-ACWOFJMJSA-N 1 2 363.408 2.798 20 30 FFEDLO N#CC[C@@H]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000601613965 520866457 /nfs/dbraw/zinc/86/64/57/520866457.db2.gz VJFMXPLFLQEYCF-HOCLYGCPSA-N 1 2 359.499 2.516 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc(OCc2ccccc2)cc1 ZINC000598836256 520868391 /nfs/dbraw/zinc/86/83/91/520868391.db2.gz DVJZZZSNXGGRMM-OAQYLSRUSA-N 1 2 351.450 2.768 20 30 FFEDLO N#CCCN(C(=O)C[NH+]1CC(c2nc3ccccc3[nH]2)C1)c1ccccc1 ZINC000610846708 520869562 /nfs/dbraw/zinc/86/95/62/520869562.db2.gz CUPCVVXWQBLAIQ-UHFFFAOYSA-N 1 2 359.433 2.909 20 30 FFEDLO C[NH+](C)[C@@H](CNC(=O)NCC1(C#N)CCCC1)c1c(F)cccc1F ZINC000593347846 520927245 /nfs/dbraw/zinc/92/72/45/520927245.db2.gz HVEOCRANSCDLKI-HNNXBMFYSA-N 1 2 350.413 2.951 20 30 FFEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1C ZINC000598943894 520934303 /nfs/dbraw/zinc/93/43/03/520934303.db2.gz JERQJLVMRMBYSY-QGZVFWFLSA-N 1 2 374.448 2.632 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC000598947485 520935538 /nfs/dbraw/zinc/93/55/38/520935538.db2.gz BVMUAWCDOXSWPZ-CQSZACIVSA-N 1 2 351.406 2.788 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC000598947485 520935547 /nfs/dbraw/zinc/93/55/47/520935547.db2.gz BVMUAWCDOXSWPZ-CQSZACIVSA-N 1 2 351.406 2.788 20 30 FFEDLO N#Cc1cc(C[N@@H+](CCO)Cc2cc(Br)ccc2F)ccn1 ZINC000610992578 520935550 /nfs/dbraw/zinc/93/55/50/520935550.db2.gz RZEQJXRVEJCLDH-UHFFFAOYSA-N 1 2 364.218 2.849 20 30 FFEDLO N#Cc1cc(C[N@H+](CCO)Cc2cc(Br)ccc2F)ccn1 ZINC000610992578 520935559 /nfs/dbraw/zinc/93/55/59/520935559.db2.gz RZEQJXRVEJCLDH-UHFFFAOYSA-N 1 2 364.218 2.849 20 30 FFEDLO CCOC(=O)CCC1CC[NH+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000610996490 520937686 /nfs/dbraw/zinc/93/76/86/520937686.db2.gz VSBYTWAMSCRBCA-IBGZPJMESA-N 1 2 358.438 2.828 20 30 FFEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593427400 520987072 /nfs/dbraw/zinc/98/70/72/520987072.db2.gz WAEYOIRBDZGRNB-UHFFFAOYSA-N 1 2 354.410 2.885 20 30 FFEDLO N#C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1cccc(Br)c1 ZINC000593443886 520994667 /nfs/dbraw/zinc/99/46/67/520994667.db2.gz KFCODLWRJOCIMW-OAHLLOKOSA-N 1 2 373.254 2.905 20 30 FFEDLO N#Cc1cc(Br)ccc1CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000593441649 520994926 /nfs/dbraw/zinc/99/49/26/520994926.db2.gz ITTLDVGBMFNGQG-UHFFFAOYSA-N 1 2 373.254 2.993 20 30 FFEDLO C[C@@H](NC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccc(Cl)cc1Cl ZINC000611174555 521023345 /nfs/dbraw/zinc/02/33/45/521023345.db2.gz HFXUOPPROYZKRT-CYBMUJFWSA-N 1 2 369.296 2.702 20 30 FFEDLO C=CCOCCCNC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000618513852 521102690 /nfs/dbraw/zinc/10/26/90/521102690.db2.gz FHQCMSBLHHOXCP-UHFFFAOYSA-N 1 2 353.466 2.935 20 30 FFEDLO C=CCOCCCNC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000618513852 521102697 /nfs/dbraw/zinc/10/26/97/521102697.db2.gz FHQCMSBLHHOXCP-UHFFFAOYSA-N 1 2 353.466 2.935 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)c(C#N)c1C ZINC000596598818 521157580 /nfs/dbraw/zinc/15/75/80/521157580.db2.gz LMRSGUJPYBQLCE-GFCCVEGCSA-N 1 2 355.442 2.903 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)c(C#N)c1C ZINC000596598818 521157585 /nfs/dbraw/zinc/15/75/85/521157585.db2.gz LMRSGUJPYBQLCE-GFCCVEGCSA-N 1 2 355.442 2.903 20 30 FFEDLO CC(C)C[C@H](C(=O)N1CCN(c2ccsc2C#N)CC1)n1cc[nH+]c1 ZINC000602178598 521191800 /nfs/dbraw/zinc/19/18/00/521191800.db2.gz OIQIHPVPEOHDIK-MRXNPFEDSA-N 1 2 357.483 2.752 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc4c(c3)CCOC4)CC2)cc1 ZINC000596657288 521194816 /nfs/dbraw/zinc/19/48/16/521194816.db2.gz NZXWAFNKKUHJGB-UHFFFAOYSA-N 1 2 361.445 2.589 20 30 FFEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000614925118 521197704 /nfs/dbraw/zinc/19/77/04/521197704.db2.gz VIMFHKIBLFVABZ-QGZVFWFLSA-N 1 2 369.387 2.977 20 30 FFEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000614925118 521197709 /nfs/dbraw/zinc/19/77/09/521197709.db2.gz VIMFHKIBLFVABZ-QGZVFWFLSA-N 1 2 369.387 2.977 20 30 FFEDLO CCCN(CC(F)(F)F)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000599398906 521200166 /nfs/dbraw/zinc/20/01/66/521200166.db2.gz FHRMUOZVXYISND-UHFFFAOYSA-N 1 2 368.403 2.740 20 30 FFEDLO C=CCN(C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)c1ccccc1 ZINC000615002624 521226813 /nfs/dbraw/zinc/22/68/13/521226813.db2.gz OIWJJMYIIKTPTJ-GOSISDBHSA-N 1 2 354.454 2.702 20 30 FFEDLO C=CCN(C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)c1ccccc1 ZINC000615002624 521226816 /nfs/dbraw/zinc/22/68/16/521226816.db2.gz OIWJJMYIIKTPTJ-GOSISDBHSA-N 1 2 354.454 2.702 20 30 FFEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1ccc(C#N)cc1Cl ZINC000599446472 521232572 /nfs/dbraw/zinc/23/25/72/521232572.db2.gz VBGVLWLJTGUCAQ-SFHVURJKSA-N 1 2 352.829 2.816 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(Br)cc1 ZINC000596729697 521249863 /nfs/dbraw/zinc/24/98/63/521249863.db2.gz IQJWQDPEZDYSMR-WFASDCNBSA-N 1 2 359.227 2.589 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)cc1 ZINC000596729892 521250054 /nfs/dbraw/zinc/25/00/54/521250054.db2.gz KUDNHPOTQLRRAR-ABAIWWIYSA-N 1 2 359.227 2.658 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Br)cc1 ZINC000596729892 521250062 /nfs/dbraw/zinc/25/00/62/521250062.db2.gz KUDNHPOTQLRRAR-ABAIWWIYSA-N 1 2 359.227 2.658 20 30 FFEDLO Cc1cc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)ccc1Oc1cc[nH+]cc1 ZINC000618866067 521270282 /nfs/dbraw/zinc/27/02/82/521270282.db2.gz GXQQFKKKIKNITA-LJQANCHMSA-N 1 2 368.368 2.585 20 30 FFEDLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)CO1 ZINC000596775369 521276297 /nfs/dbraw/zinc/27/62/97/521276297.db2.gz UEUNKDRZJPHABT-RYUDHWBXSA-N 1 2 370.375 2.808 20 30 FFEDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)CO1 ZINC000596775369 521276304 /nfs/dbraw/zinc/27/63/04/521276304.db2.gz UEUNKDRZJPHABT-RYUDHWBXSA-N 1 2 370.375 2.808 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(Cl)cc(Cl)c1N ZINC000602425868 521337920 /nfs/dbraw/zinc/33/79/20/521337920.db2.gz XEISZYPRMSTHBF-UHFFFAOYSA-N 1 2 357.285 2.623 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000599641313 521353083 /nfs/dbraw/zinc/35/30/83/521353083.db2.gz MWQYTMVXWSLDAK-OAHLLOKOSA-N 1 2 369.450 2.573 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000599641313 521353088 /nfs/dbraw/zinc/35/30/88/521353088.db2.gz MWQYTMVXWSLDAK-OAHLLOKOSA-N 1 2 369.450 2.573 20 30 FFEDLO CN(C)C(=O)Cc1nc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cs1 ZINC000594031578 521361806 /nfs/dbraw/zinc/36/18/06/521361806.db2.gz IPTSRPAVTGBSMG-UHFFFAOYSA-N 1 2 354.479 2.814 20 30 FFEDLO N#CC1(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2ncco2)CCCCC1 ZINC000594057419 521378059 /nfs/dbraw/zinc/37/80/59/521378059.db2.gz DAPAOAGSFNXCTJ-QGZVFWFLSA-N 1 2 352.438 2.891 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000594057025 521378500 /nfs/dbraw/zinc/37/85/00/521378500.db2.gz XWQOMQXEYIPNLI-XAUMDUMWSA-N 1 2 354.454 2.991 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)N[C@@H]1CCOc3ccccc31)C2 ZINC000599678772 521395454 /nfs/dbraw/zinc/39/54/54/521395454.db2.gz MKQVQECIWGMPHE-HXUWFJFHSA-N 1 2 361.445 2.751 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)N[C@@H]1CCOc3ccccc31)C2 ZINC000599678772 521395460 /nfs/dbraw/zinc/39/54/60/521395460.db2.gz MKQVQECIWGMPHE-HXUWFJFHSA-N 1 2 361.445 2.751 20 30 FFEDLO COC(=O)C1C[C@@H](C)[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H](C)C1 ZINC000599689169 521405067 /nfs/dbraw/zinc/40/50/67/521405067.db2.gz ONXCYPSAZBGQBQ-VXGBXAGGSA-N 1 2 363.845 2.812 20 30 FFEDLO COC(=O)C1C[C@@H](C)[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)[C@H](C)C1 ZINC000599696565 521408637 /nfs/dbraw/zinc/40/86/37/521408637.db2.gz PIPGCYKHJGCRHT-GHMZBOCLSA-N 1 2 363.483 2.837 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CC[C@](F)(C#N)C2)C[C@H](C)O1 ZINC000615531580 521432032 /nfs/dbraw/zinc/43/20/32/521432032.db2.gz QBCPNRNMCRSOJF-KHYOSLBOSA-N 1 2 360.433 2.765 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CC[C@](F)(C#N)C2)C[C@H](C)O1 ZINC000615531580 521432043 /nfs/dbraw/zinc/43/20/43/521432043.db2.gz QBCPNRNMCRSOJF-KHYOSLBOSA-N 1 2 360.433 2.765 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Br)c1 ZINC000597035454 521460068 /nfs/dbraw/zinc/46/00/68/521460068.db2.gz ANDBGLXDIYCMIJ-NHYWBVRUSA-N 1 2 359.227 2.658 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(Br)c1 ZINC000597035454 521460069 /nfs/dbraw/zinc/46/00/69/521460069.db2.gz ANDBGLXDIYCMIJ-NHYWBVRUSA-N 1 2 359.227 2.658 20 30 FFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000597132866 521529241 /nfs/dbraw/zinc/52/92/41/521529241.db2.gz MFCPYQHDPGNTHS-MRXNPFEDSA-N 1 2 359.445 2.741 20 30 FFEDLO Cn1cc[nH+]c1[C@H](CC(=O)N(CCC#N)Cc1ccccn1)C(F)(F)F ZINC000594280537 521531922 /nfs/dbraw/zinc/53/19/22/521531922.db2.gz NCGZCXZHCHWZSI-AWEZNQCLSA-N 1 2 365.359 2.794 20 30 FFEDLO Cc1cc(C)n2c(C[NH+]3CCN(c4ccsc4C#N)CC3)cnc2n1 ZINC000597182971 521562349 /nfs/dbraw/zinc/56/23/49/521562349.db2.gz GZNOGRXWUWIZQX-UHFFFAOYSA-N 1 2 352.467 2.602 20 30 FFEDLO N#CC1(CC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CCCCC1 ZINC000597212265 521577744 /nfs/dbraw/zinc/57/77/44/521577744.db2.gz SIQQVKVPNIENHP-FQEVSTJZSA-N 1 2 369.509 2.910 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[C@](C)(C#N)C1)c1cccc(F)c1 ZINC000612359690 521592250 /nfs/dbraw/zinc/59/22/50/521592250.db2.gz VNOXGUSPLRQPIQ-QFBILLFUSA-N 1 2 355.417 2.984 20 30 FFEDLO Cn1cc[nH+]c1C[C@H](NS(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000619547991 521764253 /nfs/dbraw/zinc/76/42/53/521764253.db2.gz JLNPURHPPYTFNI-HNNXBMFYSA-N 1 2 372.475 2.616 20 30 FFEDLO N#Cc1ccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1Cl ZINC000619759866 521858072 /nfs/dbraw/zinc/85/80/72/521858072.db2.gz DMGPDRBZCBSQIM-OAHLLOKOSA-N 1 2 355.829 2.685 20 30 FFEDLO CC(=O)N1CC[NH+](CCNc2c(C#N)cnc3c(Cl)cc(C)cc32)CC1 ZINC000619792003 521874055 /nfs/dbraw/zinc/87/40/55/521874055.db2.gz ODLZRAUXYCLATC-UHFFFAOYSA-N 1 2 371.872 2.644 20 30 FFEDLO C=CC[C@@H]1CCN(C(=O)Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)C1 ZINC000626523593 522250688 /nfs/dbraw/zinc/25/06/88/522250688.db2.gz HEYVRPYCRPPZKD-GOSISDBHSA-N 1 2 370.497 2.781 20 30 FFEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)C3(C#N)CCCCC3)CC2)no1 ZINC000328634019 526846342 /nfs/dbraw/zinc/84/63/42/526846342.db2.gz MJJKDAQYTFRCMG-INIZCTEOSA-N 1 2 359.474 2.665 20 30 FFEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)C3(C#N)CCCCC3)CC2)no1 ZINC000328634019 526846349 /nfs/dbraw/zinc/84/63/49/526846349.db2.gz MJJKDAQYTFRCMG-INIZCTEOSA-N 1 2 359.474 2.665 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2c[nH]cc2-c2ccc(F)cc2)c1C#N ZINC000534792432 562542473 /nfs/dbraw/zinc/54/24/73/562542473.db2.gz ZMEXSLUCABHYTH-UHFFFAOYSA-N 1 2 366.400 2.820 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCCN(C(=O)[O-])C3)CC2)cc1 ZINC000833971745 606008222 /nfs/dbraw/zinc/00/82/22/606008222.db2.gz MIZFCHGARCKBIN-IBGZPJMESA-N 1 2 356.470 2.645 20 30 FFEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825106823 608680018 /nfs/dbraw/zinc/68/00/18/608680018.db2.gz JFNUVYIVWVEOEH-UHFFFAOYSA-N 1 2 352.446 2.666 20 30 FFEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825106823 608680021 /nfs/dbraw/zinc/68/00/21/608680021.db2.gz JFNUVYIVWVEOEH-UHFFFAOYSA-N 1 2 352.446 2.666 20 30 FFEDLO Clc1cc(N[NH+]=Cc2ccc(N3CCCC3)nc2)ccc1-c1nn[nH]n1 ZINC000826351311 609474121 /nfs/dbraw/zinc/47/41/21/609474121.db2.gz IAUTVNVIALZIKR-UHFFFAOYSA-N 1 2 368.832 2.961 20 30 FFEDLO CC(C)(C)[C@H](NC(=O)CO[NH+]=C(N)Cc1cccnc1)c1cccs1 ZINC000092916711 728472144 /nfs/dbraw/zinc/47/21/44/728472144.db2.gz JLENCIKJNJUBMA-QGZVFWFLSA-N 1 2 360.483 2.878 20 30 FFEDLO N#Cc1ccc(OCC[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000121625048 728633318 /nfs/dbraw/zinc/63/33/18/728633318.db2.gz OWRZRTFHQXZCGJ-AEFFLSMTSA-N 1 2 358.463 2.823 20 30 FFEDLO N#Cc1ccc(OCC[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000121625048 728633321 /nfs/dbraw/zinc/63/33/21/728633321.db2.gz OWRZRTFHQXZCGJ-AEFFLSMTSA-N 1 2 358.463 2.823 20 30 FFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000178525218 729163605 /nfs/dbraw/zinc/16/36/05/729163605.db2.gz WYOMDJUUJNKQBJ-UHFFFAOYSA-N 1 2 372.837 2.876 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2csc(N(C)c3ccccc3)n2)CC1 ZINC000859003480 730439214 /nfs/dbraw/zinc/43/92/14/730439214.db2.gz OKMILCGRBBEMSI-UHFFFAOYSA-N 1 2 354.479 2.692 20 30 FFEDLO C#CC[N@@H+](C[C@@H](C)CSc1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000859188239 730444677 /nfs/dbraw/zinc/44/46/77/730444677.db2.gz HWRNACVJPVMOHW-WBVHZDCISA-N 1 2 351.537 2.846 20 30 FFEDLO C#CC[N@H+](C[C@@H](C)CSc1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000859188239 730444679 /nfs/dbraw/zinc/44/46/79/730444679.db2.gz HWRNACVJPVMOHW-WBVHZDCISA-N 1 2 351.537 2.846 20 30 FFEDLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000779798550 738485212 /nfs/dbraw/zinc/48/52/12/738485212.db2.gz PCLDPWFZHBLDKY-SECBINFHSA-N 1 2 351.241 2.759 20 30 FFEDLO N#Cc1cccc([C@H](NC(=O)NCCCn2cc[nH+]c2)C(F)(F)F)c1 ZINC000864429060 730844696 /nfs/dbraw/zinc/84/46/96/730844696.db2.gz MQEXPFFPVBXREL-AWEZNQCLSA-N 1 2 351.332 2.748 20 30 FFEDLO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(Br)cc(F)c1O ZINC000865012433 730902767 /nfs/dbraw/zinc/90/27/67/730902767.db2.gz AGVSOIXVVCAHMF-UHFFFAOYSA-N 1 2 372.238 2.601 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000867192599 731152960 /nfs/dbraw/zinc/15/29/60/731152960.db2.gz RPFRZCJQKNVKBU-UHFFFAOYSA-N 1 2 364.446 2.557 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1ccc(C)cc1C#N ZINC000872478714 731776619 /nfs/dbraw/zinc/77/66/19/731776619.db2.gz ALWOTKYENSPCLA-UHFFFAOYSA-N 1 2 360.483 2.727 20 30 FFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000660448874 732110449 /nfs/dbraw/zinc/11/04/49/732110449.db2.gz VYDWMSVAISZZRU-LMMKCTJWSA-N 1 2 367.559 2.628 20 30 FFEDLO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC(F)(F)CO ZINC000926193507 738580109 /nfs/dbraw/zinc/58/01/09/738580109.db2.gz RGTOWJZZSQULIQ-CYBMUJFWSA-N 1 2 361.433 2.523 20 30 FFEDLO COc1ccccc1N1CC[C@@H]([NH2+]Cc2cc(C#N)cnc2Cl)C1=O ZINC000877083512 732321956 /nfs/dbraw/zinc/32/19/56/732321956.db2.gz BVTXIFBZALAVGU-CQSZACIVSA-N 1 2 356.813 2.510 20 30 FFEDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000877773478 732426834 /nfs/dbraw/zinc/42/68/34/732426834.db2.gz PZPKAHKFFZMRFQ-MRXNPFEDSA-N 1 2 351.372 2.885 20 30 FFEDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000877773478 732426835 /nfs/dbraw/zinc/42/68/35/732426835.db2.gz PZPKAHKFFZMRFQ-MRXNPFEDSA-N 1 2 351.372 2.885 20 30 FFEDLO C[C@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC[C@H](C(F)(F)F)O1 ZINC000880055466 732835273 /nfs/dbraw/zinc/83/52/73/732835273.db2.gz YTOTXGSCLYQVEV-UONOGXRCSA-N 1 2 361.408 2.713 20 30 FFEDLO C[C@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC[C@H](C(F)(F)F)O1 ZINC000880055466 732835277 /nfs/dbraw/zinc/83/52/77/732835277.db2.gz YTOTXGSCLYQVEV-UONOGXRCSA-N 1 2 361.408 2.713 20 30 FFEDLO CCOC(=O)c1sc([C@H]2CC[N@H+](Cc3nc(C#N)cs3)C2)nc1C ZINC000880326150 732891440 /nfs/dbraw/zinc/89/14/40/732891440.db2.gz DPTJXXIVKBQTEN-NSHDSACASA-N 1 2 362.480 2.946 20 30 FFEDLO CCOC(=O)c1sc([C@H]2CC[N@@H+](Cc3nc(C#N)cs3)C2)nc1C ZINC000880326150 732891443 /nfs/dbraw/zinc/89/14/43/732891443.db2.gz DPTJXXIVKBQTEN-NSHDSACASA-N 1 2 362.480 2.946 20 30 FFEDLO C=CC[N@@H+](Cc1cc(C)cc(Br)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000781902203 738669685 /nfs/dbraw/zinc/66/96/85/738669685.db2.gz OFAMGYUJMLDTEP-CYBMUJFWSA-N 1 2 374.300 2.638 20 30 FFEDLO C=CC[N@H+](Cc1cc(C)cc(Br)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000781902203 738669689 /nfs/dbraw/zinc/66/96/89/738669689.db2.gz OFAMGYUJMLDTEP-CYBMUJFWSA-N 1 2 374.300 2.638 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1 ZINC000886614369 733809610 /nfs/dbraw/zinc/80/96/10/733809610.db2.gz VAZJJGYAUPBYIG-HOCLYGCPSA-N 1 2 372.412 2.996 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1 ZINC000886614369 733809614 /nfs/dbraw/zinc/80/96/14/733809614.db2.gz VAZJJGYAUPBYIG-HOCLYGCPSA-N 1 2 372.412 2.996 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000685580975 734323440 /nfs/dbraw/zinc/32/34/40/734323440.db2.gz HRCKXBUZCGYNJD-LJQANCHMSA-N 1 2 357.479 2.967 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000685580975 734323442 /nfs/dbraw/zinc/32/34/42/734323442.db2.gz HRCKXBUZCGYNJD-LJQANCHMSA-N 1 2 357.479 2.967 20 30 FFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726256036 734416823 /nfs/dbraw/zinc/41/68/23/734416823.db2.gz MWRQWZSSCUDCQJ-CYBMUJFWSA-N 1 2 357.907 2.820 20 30 FFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726256036 734416824 /nfs/dbraw/zinc/41/68/24/734416824.db2.gz MWRQWZSSCUDCQJ-CYBMUJFWSA-N 1 2 357.907 2.820 20 30 FFEDLO C=CCn1cc(C[NH2+]Cc2ccc(C(=O)OC)cc2C(F)(F)F)nn1 ZINC000895052621 734957617 /nfs/dbraw/zinc/95/76/17/734957617.db2.gz VBQMUDYUYQKKJW-UHFFFAOYSA-N 1 2 354.332 2.559 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(CC(F)(F)F)s3)CC2)cn1 ZINC000895492989 735015208 /nfs/dbraw/zinc/01/52/08/735015208.db2.gz JGHACGRDBGOJBV-UHFFFAOYSA-N 1 2 367.400 2.837 20 30 FFEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](CC)C[C@@H]2CCOC2)c1=S ZINC000738081512 735020823 /nfs/dbraw/zinc/02/08/23/735020823.db2.gz LKXYGSYWUYZVGW-HNNXBMFYSA-N 1 2 359.499 2.978 20 30 FFEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](CC)C[C@@H]2CCOC2)c1=S ZINC000738081512 735020826 /nfs/dbraw/zinc/02/08/26/735020826.db2.gz LKXYGSYWUYZVGW-HNNXBMFYSA-N 1 2 359.499 2.978 20 30 FFEDLO CCn1c[nH+]cc1/C=C/C(=O)c1ccc(S(=O)(=O)CC(F)F)cc1 ZINC000901477520 735783840 /nfs/dbraw/zinc/78/38/40/735783840.db2.gz NJPMDXIVMCBHJB-VMPITWQZSA-N 1 2 354.378 2.838 20 30 FFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000765843438 737165955 /nfs/dbraw/zinc/16/59/55/737165955.db2.gz TWOMKGMKTGDHGE-RDTXWAMCSA-N 1 2 355.463 2.559 20 30 FFEDLO [NH3+][C@H](CC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(F)F ZINC000912465289 737307797 /nfs/dbraw/zinc/30/77/97/737307797.db2.gz AZSAMYMQVLDAQM-ATRFCDNQSA-N 1 2 356.257 2.995 20 30 FFEDLO CC(CC[NH+](C)C)N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000767385406 737320290 /nfs/dbraw/zinc/32/02/90/737320290.db2.gz OPCWTHABPZFHOO-UHFFFAOYSA-N 1 2 367.500 2.683 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913453217 737408473 /nfs/dbraw/zinc/40/84/73/737408473.db2.gz KNWKRUCNTLMWAL-HNNXBMFYSA-N 1 2 351.435 2.591 20 30 FFEDLO C#CC[NH+]1CCC(C(=O)O[C@H](Cc2cccc(Cl)c2F)C(C)=O)CC1 ZINC000768693043 737450080 /nfs/dbraw/zinc/45/00/80/737450080.db2.gz LWGVJFGVACHICT-QGZVFWFLSA-N 1 2 365.832 2.868 20 30 FFEDLO Cc1cc(S(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)ccc1C#N ZINC000920613662 737916803 /nfs/dbraw/zinc/91/68/03/737916803.db2.gz BIYFFPAKORLJBP-UHFFFAOYSA-N 1 2 356.451 2.527 20 30 FFEDLO C#C[C@H]([NH2+]Cc1csc(-c2cccc(C(=O)OC)c2)n1)[C@@H]1CCCO1 ZINC000775789908 738125045 /nfs/dbraw/zinc/12/50/45/738125045.db2.gz DUMSSKRKBCUINC-IRXDYDNUSA-N 1 2 356.447 2.867 20 30 FFEDLO Cc1nc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)no1 ZINC000931944269 739357506 /nfs/dbraw/zinc/35/75/06/739357506.db2.gz NNAMHXFGSNRAHV-GXFFZTMASA-N 1 2 359.817 2.720 20 30 FFEDLO Cc1nc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)no1 ZINC000931944269 739357510 /nfs/dbraw/zinc/35/75/10/739357510.db2.gz NNAMHXFGSNRAHV-GXFFZTMASA-N 1 2 359.817 2.720 20 30 FFEDLO COc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000932631753 739481504 /nfs/dbraw/zinc/48/15/04/739481504.db2.gz CCAOSJNMBDGRAV-ZDUSSCGKSA-N 1 2 356.451 2.874 20 30 FFEDLO COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000932631753 739481508 /nfs/dbraw/zinc/48/15/08/739481508.db2.gz CCAOSJNMBDGRAV-ZDUSSCGKSA-N 1 2 356.451 2.874 20 30 FFEDLO Cc1nn(C)c2nc(Cl)c(C[NH+]3CCC4(CC3)CC(=O)C=CO4)cc12 ZINC000933651347 739667151 /nfs/dbraw/zinc/66/71/51/739667151.db2.gz DVPPHHNYRWNRGO-UHFFFAOYSA-N 1 2 360.845 2.768 20 30 FFEDLO C#CC[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1 ZINC000796641764 740166313 /nfs/dbraw/zinc/16/63/13/740166313.db2.gz QUQQRGLJZABWFZ-UHFFFAOYSA-N 1 2 357.475 2.994 20 30 FFEDLO C#CC[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1 ZINC000796641764 740166316 /nfs/dbraw/zinc/16/63/16/740166316.db2.gz QUQQRGLJZABWFZ-UHFFFAOYSA-N 1 2 357.475 2.994 20 30 FFEDLO COC(=O)C[NH+]1CCC(Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000799738459 740446923 /nfs/dbraw/zinc/44/69/23/740446923.db2.gz AJDAASVOIMYHLR-UHFFFAOYSA-N 1 2 357.332 2.506 20 30 FFEDLO CC(=[NH+][N-]c1[nH+]ccn1C)c1c[nH]c2ccc(Br)cc2c1=O ZINC000799886790 740460856 /nfs/dbraw/zinc/46/08/56/740460856.db2.gz CGVZRDARUQVENL-UHFFFAOYSA-N 1 2 360.215 2.860 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncc(C)s1 ZINC000960927202 740629041 /nfs/dbraw/zinc/62/90/41/740629041.db2.gz KJIJPINNDKESAO-RYRKJORJSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncc(C)s1 ZINC000960927202 740629045 /nfs/dbraw/zinc/62/90/45/740629045.db2.gz KJIJPINNDKESAO-RYRKJORJSA-N 1 2 363.527 2.856 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(Cl)cc4c3OCC4)CC2)cn1 ZINC000801554016 740630002 /nfs/dbraw/zinc/63/00/02/740630002.db2.gz NTDCKMIKNTZORP-UHFFFAOYSA-N 1 2 354.841 2.864 20 30 FFEDLO O=C(N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21)[C@]12C[C@H]1CCC2 ZINC000961296941 740632952 /nfs/dbraw/zinc/63/29/52/740632952.db2.gz VWHDTYWANRZLNE-GOBLKYCHSA-N 1 2 354.881 2.928 20 30 FFEDLO O=C(N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21)[C@]12C[C@H]1CCC2 ZINC000961296941 740632955 /nfs/dbraw/zinc/63/29/55/740632955.db2.gz VWHDTYWANRZLNE-GOBLKYCHSA-N 1 2 354.881 2.928 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)CC1(C)C ZINC000975052558 740919261 /nfs/dbraw/zinc/91/92/61/740919261.db2.gz BCLKLEMHWRMXNE-OWCLPIDISA-N 1 2 363.889 2.653 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)CC1(C)C ZINC000975052558 740919262 /nfs/dbraw/zinc/91/92/62/740919262.db2.gz BCLKLEMHWRMXNE-OWCLPIDISA-N 1 2 363.889 2.653 20 30 FFEDLO C#C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000811964832 741579642 /nfs/dbraw/zinc/57/96/42/741579642.db2.gz RNSMXMBDBFUOLI-KRWDZBQOSA-N 1 2 354.841 2.941 20 30 FFEDLO CC(=[NH+]Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000812231617 741599154 /nfs/dbraw/zinc/59/91/54/741599154.db2.gz WSYBIGNACBLLBZ-UHFFFAOYSA-N 1 2 360.483 2.839 20 30 FFEDLO N#Cc1csc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000813173562 741684606 /nfs/dbraw/zinc/68/46/06/741684606.db2.gz FPYWTSRLQZHYIT-HNNXBMFYSA-N 1 2 357.391 2.959 20 30 FFEDLO N#Cc1csc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000813173562 741684609 /nfs/dbraw/zinc/68/46/09/741684609.db2.gz FPYWTSRLQZHYIT-HNNXBMFYSA-N 1 2 357.391 2.959 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1nc(C)cs1 ZINC001024441439 742726005 /nfs/dbraw/zinc/72/60/05/742726005.db2.gz CZYMQQVYOFRDJV-ZACQAIPSSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc(C)cs1 ZINC001024441439 742726009 /nfs/dbraw/zinc/72/60/09/742726009.db2.gz CZYMQQVYOFRDJV-ZACQAIPSSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ncc(C)s1 ZINC001024701438 742734715 /nfs/dbraw/zinc/73/47/15/742734715.db2.gz CNHXAQOPIIGIRN-BQFCYCMXSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ncc(C)s1 ZINC001024701438 742734717 /nfs/dbraw/zinc/73/47/17/742734717.db2.gz CNHXAQOPIIGIRN-BQFCYCMXSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001027493258 742771926 /nfs/dbraw/zinc/77/19/26/742771926.db2.gz AWIXNWYILXYQOU-XUWVNRHRSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001027493258 742771930 /nfs/dbraw/zinc/77/19/30/742771930.db2.gz AWIXNWYILXYQOU-XUWVNRHRSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(O)ccc2Cl)C1 ZINC001032048253 742858947 /nfs/dbraw/zinc/85/89/47/742858947.db2.gz WNWACLMXHILLHE-WMZOPIPTSA-N 1 2 364.873 2.575 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@]2(C)CC[N@H+](CC#Cc3ccccc3Cl)C2)O1 ZINC001046633962 743333903 /nfs/dbraw/zinc/33/39/03/743333903.db2.gz BISBPCIIEMAABP-ZTNFWEORSA-N 1 2 360.885 2.840 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CC#Cc3ccccc3Cl)C2)O1 ZINC001046633962 743333911 /nfs/dbraw/zinc/33/39/11/743333911.db2.gz BISBPCIIEMAABP-ZTNFWEORSA-N 1 2 360.885 2.840 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2CC2)CC1 ZINC000830620420 745394005 /nfs/dbraw/zinc/39/40/05/745394005.db2.gz SZVBIARDFWMHBE-UHFFFAOYSA-N 1 2 355.873 2.764 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(SC(=O)N(C)C)cc2)CC1 ZINC000831690556 745569385 /nfs/dbraw/zinc/56/93/85/745569385.db2.gz AYPJGOVOUUEHMV-UHFFFAOYSA-N 1 2 361.467 2.739 20 30 FFEDLO C#C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Br)cc1 ZINC000833230303 745779354 /nfs/dbraw/zinc/77/93/54/745779354.db2.gz BJVOQDVSSSNHSH-CZUORRHYSA-N 1 2 358.239 2.699 20 30 FFEDLO C#C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000833230549 745779996 /nfs/dbraw/zinc/77/99/96/745779996.db2.gz GGJWWESESRDUJN-DZGCQCFKSA-N 1 2 358.239 2.699 20 30 FFEDLO C#C[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000836411923 746215923 /nfs/dbraw/zinc/21/59/23/746215923.db2.gz XRRKSUIVSFJMTC-CABCVRRESA-N 1 2 373.254 2.634 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 ZINC000839095389 746773620 /nfs/dbraw/zinc/77/36/20/746773620.db2.gz HHKHMMJGXUCJTM-CQSZACIVSA-N 1 2 355.870 2.692 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 ZINC000839095389 746773622 /nfs/dbraw/zinc/77/36/22/746773622.db2.gz HHKHMMJGXUCJTM-CQSZACIVSA-N 1 2 355.870 2.692 20 30 FFEDLO C#C[C@H]([NH2+]Cc1ccc(F)cc1I)[C@H]1CCCO1 ZINC000841872819 747480286 /nfs/dbraw/zinc/48/02/86/747480286.db2.gz QHKFNRKTJHEKPF-UONOGXRCSA-N 1 2 359.182 2.701 20 30 FFEDLO Fc1cc2c(cc1Br)OCC2=NNCCCn1cc[nH+]c1 ZINC000848416178 748920693 /nfs/dbraw/zinc/92/06/93/748920693.db2.gz BKMBRBLGJGBGQC-UHFFFAOYSA-N 1 2 353.195 2.561 20 30 FFEDLO CC(=NNCCCn1cc[nH+]c1)c1nnn(-c2cccc(Cl)c2)c1C ZINC000848416799 748920868 /nfs/dbraw/zinc/92/08/68/748920868.db2.gz YTDMSCKIQIVFRC-UHFFFAOYSA-N 1 2 357.849 2.830 20 30 FFEDLO O=C(Cc1cn2c([nH+]1)CCCC2)OCC#Cc1ccc(Br)cn1 ZINC000851275069 749549912 /nfs/dbraw/zinc/54/99/12/749549912.db2.gz DRVODSFYLVGOSE-UHFFFAOYSA-N 1 2 374.238 2.514 20 30 FFEDLO C[C@H](CO)[C@H]1CCCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000852424389 749856825 /nfs/dbraw/zinc/85/68/25/749856825.db2.gz CJUKKLLNZQQWBK-IJEWVQPXSA-N 1 2 357.479 2.955 20 30 FFEDLO C[C@H](CO)[C@H]1CCCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000852424389 749856830 /nfs/dbraw/zinc/85/68/30/749856830.db2.gz CJUKKLLNZQQWBK-IJEWVQPXSA-N 1 2 357.479 2.955 20 30 FFEDLO C#CCOCCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000853011992 749983372 /nfs/dbraw/zinc/98/33/72/749983372.db2.gz OYIKFYMBHAHXLY-UHFFFAOYSA-N 1 2 356.495 2.664 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000066871668 845482853 /nfs/dbraw/zinc/48/28/53/845482853.db2.gz HWBQUNYGCDUVCO-UHFFFAOYSA-N 1 2 372.837 2.876 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)N2c3ccccc3CC[C@@H]2C)cc1 ZINC000054230470 971572071 /nfs/dbraw/zinc/57/20/71/971572071.db2.gz CSCTWEAWDRKOBP-AWEZNQCLSA-N 1 2 353.422 2.700 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001211655699 971724262 /nfs/dbraw/zinc/72/42/62/971724262.db2.gz UPYMDCOGZWFHFB-RBUKOAKNSA-N 1 2 366.465 2.656 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(CCCC)no3)CC[C@@H]2C1 ZINC001088066944 972070224 /nfs/dbraw/zinc/07/02/24/972070224.db2.gz HLYVBSPERKWLBV-CVEARBPZSA-N 1 2 360.502 2.905 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(CCCC)no3)CC[C@@H]2C1 ZINC001088066944 972070226 /nfs/dbraw/zinc/07/02/26/972070226.db2.gz HLYVBSPERKWLBV-CVEARBPZSA-N 1 2 360.502 2.905 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2ncoc2C(C)C)CC1(C)C ZINC000975060487 972332270 /nfs/dbraw/zinc/33/22/70/972332270.db2.gz CHDVSCIIUYJPDA-PVAVHDDUSA-N 1 2 361.486 2.716 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2ncoc2C(C)C)CC1(C)C ZINC000975060487 972332274 /nfs/dbraw/zinc/33/22/74/972332274.db2.gz CHDVSCIIUYJPDA-PVAVHDDUSA-N 1 2 361.486 2.716 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)CC2(C)C)O1 ZINC000975076139 972368717 /nfs/dbraw/zinc/36/87/17/972368717.db2.gz YRMGQGSFXHPIJC-XWIAVFTESA-N 1 2 359.445 2.591 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)CC2(C)C)O1 ZINC000975076139 972368723 /nfs/dbraw/zinc/36/87/23/972368723.db2.gz YRMGQGSFXHPIJC-XWIAVFTESA-N 1 2 359.445 2.591 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1coc(-c2ccccc2)n1 ZINC001266418180 960332078 /nfs/dbraw/zinc/33/20/78/960332078.db2.gz SBXXBZNLFDFAFK-MOPGFXCFSA-N 1 2 369.465 2.871 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](CC)Cc1coc(-c2ccccc2)n1 ZINC001266418180 960332086 /nfs/dbraw/zinc/33/20/86/960332086.db2.gz SBXXBZNLFDFAFK-MOPGFXCFSA-N 1 2 369.465 2.871 20 30 FFEDLO N#Cc1ncccc1Nc1cc(I)c2[nH+]ccn2c1 ZINC001210142806 960795344 /nfs/dbraw/zinc/79/53/44/960795344.db2.gz JVPOELPAAITNBJ-UHFFFAOYSA-N 1 2 361.146 2.949 20 30 FFEDLO COc1cc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)ccc1S(C)(=O)=O ZINC000255078756 961115731 /nfs/dbraw/zinc/11/57/31/961115731.db2.gz AWQUPILCTKYHNF-SREVYHEPSA-N 1 2 370.430 2.951 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(Br)c(C)c2)C1=O ZINC001275976874 1013249263 /nfs/dbraw/zinc/24/92/63/1013249263.db2.gz HWSPOYDKLPPRHS-SFHVURJKSA-N 1 2 361.283 2.958 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(Br)c(C)c2)C1=O ZINC001275976874 1013249266 /nfs/dbraw/zinc/24/92/66/1013249266.db2.gz HWSPOYDKLPPRHS-SFHVURJKSA-N 1 2 361.283 2.958 20 30 FFEDLO COC(C)(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)cc(C#N)c2)C1=O ZINC001276005375 1013276406 /nfs/dbraw/zinc/27/64/06/1013276406.db2.gz UGRDCXWSZCODHU-HXUWFJFHSA-N 1 2 359.445 2.689 20 30 FFEDLO COC(C)(C)CN1CC[C@]2(CCC[N@H+]2Cc2cc(F)cc(C#N)c2)C1=O ZINC001276005375 1013276425 /nfs/dbraw/zinc/27/64/25/1013276425.db2.gz UGRDCXWSZCODHU-HXUWFJFHSA-N 1 2 359.445 2.689 20 30 FFEDLO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc(-c4ccoc4)s3)[C@H]2C1 ZINC001083217042 963765047 /nfs/dbraw/zinc/76/50/47/963765047.db2.gz DYYWMNCVHWYWQQ-LSDHHAIUSA-N 1 2 359.451 2.504 20 30 FFEDLO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cnc(-c4ccoc4)s3)[C@H]2C1 ZINC001083217042 963765052 /nfs/dbraw/zinc/76/50/52/963765052.db2.gz DYYWMNCVHWYWQQ-LSDHHAIUSA-N 1 2 359.451 2.504 20 30 FFEDLO C[N@@H+](Cc1ccc(C#N)s1)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000960678550 1013448416 /nfs/dbraw/zinc/44/84/16/1013448416.db2.gz GJCFWTDDEHOEML-KBRIMQKVSA-N 1 2 369.494 2.569 20 30 FFEDLO C[N@H+](Cc1ccc(C#N)s1)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000960678550 1013448420 /nfs/dbraw/zinc/44/84/20/1013448420.db2.gz GJCFWTDDEHOEML-KBRIMQKVSA-N 1 2 369.494 2.569 20 30 FFEDLO C=CC[C@H](C)C(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1scnc1C)CCO2 ZINC001269959846 964497929 /nfs/dbraw/zinc/49/79/29/964497929.db2.gz KYADTRDYYLDLMP-KXBFYZLASA-N 1 2 363.527 2.857 20 30 FFEDLO C=CC[C@H](C)C(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1scnc1C)CCO2 ZINC001269959846 964497936 /nfs/dbraw/zinc/49/79/36/964497936.db2.gz KYADTRDYYLDLMP-KXBFYZLASA-N 1 2 363.527 2.857 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncoc1C(C)C ZINC000960885020 1013507651 /nfs/dbraw/zinc/50/76/51/1013507651.db2.gz UTDNWWSAAORPQH-JZXOWHBKSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncoc1C(C)C ZINC000960885020 1013507655 /nfs/dbraw/zinc/50/76/55/1013507655.db2.gz UTDNWWSAAORPQH-JZXOWHBKSA-N 1 2 361.486 2.812 20 30 FFEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000328873456 964956051 /nfs/dbraw/zinc/95/60/51/964956051.db2.gz RBZAOYRUXQQGEJ-GOSISDBHSA-N 1 2 367.453 2.689 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2conc2CC)C1 ZINC001087467809 965139145 /nfs/dbraw/zinc/13/91/45/965139145.db2.gz QZUHKVGXSOTGSZ-YLJYHZDGSA-N 1 2 369.440 2.987 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2conc2CC)C1 ZINC001087467809 965139150 /nfs/dbraw/zinc/13/91/50/965139150.db2.gz QZUHKVGXSOTGSZ-YLJYHZDGSA-N 1 2 369.440 2.987 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2conc2C)C1 ZINC001087471304 965366172 /nfs/dbraw/zinc/36/61/72/965366172.db2.gz YTLQFRBBYAVBDO-ICSRJNTNSA-N 1 2 367.449 2.603 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2conc2C)C1 ZINC001087471304 965366184 /nfs/dbraw/zinc/36/61/84/965366184.db2.gz YTLQFRBBYAVBDO-ICSRJNTNSA-N 1 2 367.449 2.603 20 30 FFEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000134952286 966140673 /nfs/dbraw/zinc/14/06/73/966140673.db2.gz JSOJZJFDLISHHO-GOSISDBHSA-N 1 2 373.928 2.710 20 30 FFEDLO CC(C)Cc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cn1 ZINC000892223931 966326049 /nfs/dbraw/zinc/32/60/49/966326049.db2.gz NSZDQYRUSDVXHO-MRXNPFEDSA-N 1 2 350.470 2.652 20 30 FFEDLO CC(C)Cc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cn1 ZINC000892223931 966326057 /nfs/dbraw/zinc/32/60/57/966326057.db2.gz NSZDQYRUSDVXHO-MRXNPFEDSA-N 1 2 350.470 2.652 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@@H]2CC)[nH]n1 ZINC001087507331 967448168 /nfs/dbraw/zinc/44/81/68/967448168.db2.gz RKCCPABUGCLRCV-PKOBYXMFSA-N 1 2 369.444 2.766 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@@H]2CC)[nH]n1 ZINC001087507331 967448178 /nfs/dbraw/zinc/44/81/78/967448178.db2.gz RKCCPABUGCLRCV-PKOBYXMFSA-N 1 2 369.444 2.766 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)c(C)o2)C1 ZINC000972507767 967459222 /nfs/dbraw/zinc/45/92/22/967459222.db2.gz CLUIGDVGJQKFSQ-LNLFQRSKSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)c(C)o2)C1 ZINC000972507767 967459226 /nfs/dbraw/zinc/45/92/26/967459226.db2.gz CLUIGDVGJQKFSQ-LNLFQRSKSA-N 1 2 361.486 2.695 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3CC)C2)C1 ZINC000972517187 967538140 /nfs/dbraw/zinc/53/81/40/967538140.db2.gz CSFQWIJSEGZRSC-XJUOHMSHSA-N 1 2 366.505 2.679 20 30 FFEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3CC)C2)C1 ZINC000972517187 967538151 /nfs/dbraw/zinc/53/81/51/967538151.db2.gz CSFQWIJSEGZRSC-XJUOHMSHSA-N 1 2 366.505 2.679 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2n[nH]c(C)c2C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087525183 967659401 /nfs/dbraw/zinc/65/94/01/967659401.db2.gz JQERWGWACHLQLS-ZWKOTPCHSA-N 1 2 369.444 2.820 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2n[nH]c(C)c2C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087525183 967659410 /nfs/dbraw/zinc/65/94/10/967659410.db2.gz JQERWGWACHLQLS-ZWKOTPCHSA-N 1 2 369.444 2.820 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccn(C)c2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087540346 967971279 /nfs/dbraw/zinc/97/12/79/967971279.db2.gz OOBLYYURPSNRHV-RBUKOAKNSA-N 1 2 354.429 2.819 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccn(C)c2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087540346 967971286 /nfs/dbraw/zinc/97/12/86/967971286.db2.gz OOBLYYURPSNRHV-RBUKOAKNSA-N 1 2 354.429 2.819 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)CCc1ccc(C)[nH+]c1C ZINC001271027565 967979477 /nfs/dbraw/zinc/97/94/77/967979477.db2.gz XJMSIYBFEYXSTI-NRFANRHFSA-N 1 2 355.482 2.801 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)Cc2cnc(C)o2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087600918 968318161 /nfs/dbraw/zinc/31/81/61/968318161.db2.gz RMGCWEFERCDBHF-RBUKOAKNSA-N 1 2 370.428 2.706 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)Cc2cnc(C)o2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087600918 968318165 /nfs/dbraw/zinc/31/81/65/968318165.db2.gz RMGCWEFERCDBHF-RBUKOAKNSA-N 1 2 370.428 2.706 20 30 FFEDLO N#Cc1cc2cccnc2nc1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176957046 1013810925 /nfs/dbraw/zinc/81/09/25/1013810925.db2.gz DGUQBOJABUUTCX-OAHLLOKOSA-N 1 2 358.405 2.752 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncoc2[C@H]2CCCO2)[C@H]1CC ZINC001087686031 968603097 /nfs/dbraw/zinc/60/30/97/968603097.db2.gz KUUQLGNQFQHZLX-BFHYXJOUSA-N 1 2 353.850 2.861 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncoc2[C@H]2CCCO2)[C@H]1CC ZINC001087686031 968603104 /nfs/dbraw/zinc/60/31/04/968603104.db2.gz KUUQLGNQFQHZLX-BFHYXJOUSA-N 1 2 353.850 2.861 20 30 FFEDLO O=C(c1ccccn1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075487592 969005117 /nfs/dbraw/zinc/00/51/17/969005117.db2.gz ALHJVGVKLWPJBG-FXAWDEMLSA-N 1 2 365.864 2.933 20 30 FFEDLO O=C(c1ccccn1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075487592 969005129 /nfs/dbraw/zinc/00/51/29/969005129.db2.gz ALHJVGVKLWPJBG-FXAWDEMLSA-N 1 2 365.864 2.933 20 30 FFEDLO C=CCC(CC=C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001067491844 969069511 /nfs/dbraw/zinc/06/95/11/969069511.db2.gz LFCSWTCROBWQGF-IAGOWNOFSA-N 1 2 358.486 2.589 20 30 FFEDLO C=CCC(CC=C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001067491844 969069522 /nfs/dbraw/zinc/06/95/22/969069522.db2.gz LFCSWTCROBWQGF-IAGOWNOFSA-N 1 2 358.486 2.589 20 30 FFEDLO O=C(c1cccnc1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075493463 969085656 /nfs/dbraw/zinc/08/56/56/969085656.db2.gz LSPKCNZRSVOLFV-AZUAARDMSA-N 1 2 365.864 2.933 20 30 FFEDLO O=C(c1cccnc1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075493463 969085672 /nfs/dbraw/zinc/08/56/72/969085672.db2.gz LSPKCNZRSVOLFV-AZUAARDMSA-N 1 2 365.864 2.933 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001024653286 969230172 /nfs/dbraw/zinc/23/01/72/969230172.db2.gz DIXGJACSANHPHI-LJHODMEESA-N 1 2 359.445 2.593 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001024653286 969230180 /nfs/dbraw/zinc/23/01/80/969230180.db2.gz DIXGJACSANHPHI-LJHODMEESA-N 1 2 359.445 2.593 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(CC)c(CCC)s3)[C@H]2C1 ZINC001083271640 969275647 /nfs/dbraw/zinc/27/56/47/969275647.db2.gz ULEJIVUJQZPNHA-DLBZAZTESA-N 1 2 360.523 2.812 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(CC)c(CCC)s3)[C@H]2C1 ZINC001083271640 969275653 /nfs/dbraw/zinc/27/56/53/969275653.db2.gz ULEJIVUJQZPNHA-DLBZAZTESA-N 1 2 360.523 2.812 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(C)nc2)[C@H]1CC ZINC001087830109 970479260 /nfs/dbraw/zinc/47/92/60/970479260.db2.gz NOYSWTNLOAHFEU-JKSUJKDBSA-N 1 2 366.303 2.810 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C)nc2)[C@H]1CC ZINC001087830109 970479269 /nfs/dbraw/zinc/47/92/69/970479269.db2.gz NOYSWTNLOAHFEU-JKSUJKDBSA-N 1 2 366.303 2.810 20 30 FFEDLO CCCOCc1ccccc1CNC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000178151152 970610200 /nfs/dbraw/zinc/61/02/00/970610200.db2.gz BMMFSWHKSGEWPM-UHFFFAOYSA-N 1 2 355.438 2.567 20 30 FFEDLO COC(=O)N1CCN(c2ccc(NCc3cccc(F)c3C#N)c[nH+]2)CC1 ZINC001205943352 1032078422 /nfs/dbraw/zinc/07/84/22/1032078422.db2.gz PHXMOVYNAAOGJM-UHFFFAOYSA-N 1 2 369.400 2.593 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001211663753 973292981 /nfs/dbraw/zinc/29/29/81/973292981.db2.gz AAVHONZQFJZWGU-ZWKOTPCHSA-N 1 2 354.454 2.819 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC001167784636 974933907 /nfs/dbraw/zinc/93/39/07/974933907.db2.gz JPEIPOFSLFUVDJ-GVDBMIGSSA-N 1 2 353.388 2.979 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001027612891 975027020 /nfs/dbraw/zinc/02/70/20/975027020.db2.gz QJMMFSHSIWBVCN-LNLFQRSKSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001027612891 975027024 /nfs/dbraw/zinc/02/70/24/975027024.db2.gz QJMMFSHSIWBVCN-LNLFQRSKSA-N 1 2 361.486 2.695 20 30 FFEDLO COCc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)o1 ZINC001088725828 975628723 /nfs/dbraw/zinc/62/87/23/975628723.db2.gz CTOPOMVSQHCNHB-ACJLOTCBSA-N 1 2 371.412 2.830 20 30 FFEDLO COCc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)o1 ZINC001088725828 975628730 /nfs/dbraw/zinc/62/87/30/975628730.db2.gz CTOPOMVSQHCNHB-ACJLOTCBSA-N 1 2 371.412 2.830 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)[C@@]3(C)C=CCC3)[C@H]2C)c1 ZINC001088800329 976388049 /nfs/dbraw/zinc/38/80/49/976388049.db2.gz ZHQPWDPDDVJVET-WVBUVRCRSA-N 1 2 365.477 2.542 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)[C@@]3(C)C=CCC3)[C@H]2C)c1 ZINC001088800329 976388062 /nfs/dbraw/zinc/38/80/62/976388062.db2.gz ZHQPWDPDDVJVET-WVBUVRCRSA-N 1 2 365.477 2.542 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)cs1 ZINC001088814775 976834456 /nfs/dbraw/zinc/83/44/56/976834456.db2.gz IZYJQGIBPHMXPA-DYVFJYSZSA-N 1 2 357.454 2.835 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)cs1 ZINC001088814775 976834464 /nfs/dbraw/zinc/83/44/64/976834464.db2.gz IZYJQGIBPHMXPA-DYVFJYSZSA-N 1 2 357.454 2.835 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)nn1 ZINC000653577270 1014380738 /nfs/dbraw/zinc/38/07/38/1014380738.db2.gz IOFLZVNYDMMDJI-UHFFFAOYSA-N 1 2 357.433 2.844 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3cscc3Br)C[C@H]21 ZINC001075616239 977319061 /nfs/dbraw/zinc/31/90/61/977319061.db2.gz MYCDGWMZZQFOSL-UHIISALHSA-N 1 2 368.300 2.703 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3cscc3Br)C[C@H]21 ZINC001075616239 977319067 /nfs/dbraw/zinc/31/90/67/977319067.db2.gz MYCDGWMZZQFOSL-UHIISALHSA-N 1 2 368.300 2.703 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3csc(-c4ccco4)n3)C[C@H]21 ZINC001075616312 977322109 /nfs/dbraw/zinc/32/21/09/977322109.db2.gz OOXHTXKESKKZFI-KCQAQPDRSA-N 1 2 356.451 2.595 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3csc(-c4ccco4)n3)C[C@H]21 ZINC001075616312 977322116 /nfs/dbraw/zinc/32/21/16/977322116.db2.gz OOXHTXKESKKZFI-KCQAQPDRSA-N 1 2 356.451 2.595 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)nn1 ZINC000653596516 1014388497 /nfs/dbraw/zinc/38/84/97/1014388497.db2.gz ZONANKWRNKXKJQ-UHFFFAOYSA-N 1 2 352.438 2.915 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)nn1 ZINC000653596516 1014388507 /nfs/dbraw/zinc/38/85/07/1014388507.db2.gz ZONANKWRNKXKJQ-UHFFFAOYSA-N 1 2 352.438 2.915 20 30 FFEDLO C=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001087440307 977458070 /nfs/dbraw/zinc/45/80/70/977458070.db2.gz STJDQKACWSWDGL-NHCUHLMSSA-N 1 2 355.526 2.879 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@@H]2c2ccccc2)nc1 ZINC001087441989 977524809 /nfs/dbraw/zinc/52/48/09/977524809.db2.gz LGMORIBKPPEDBY-UYAOXDASSA-N 1 2 351.425 2.620 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@@H]2c2ccccc2)nc1 ZINC001087441989 977524814 /nfs/dbraw/zinc/52/48/14/977524814.db2.gz LGMORIBKPPEDBY-UYAOXDASSA-N 1 2 351.425 2.620 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2c(C)noc2C)C1 ZINC001087452813 977711413 /nfs/dbraw/zinc/71/14/13/977711413.db2.gz MWDISOLLYJQRER-QZTJIDSGSA-N 1 2 355.413 2.652 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2c(C)noc2C)C1 ZINC001087452813 977711422 /nfs/dbraw/zinc/71/14/22/977711422.db2.gz MWDISOLLYJQRER-QZTJIDSGSA-N 1 2 355.413 2.652 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@@H]2c2cccc(F)c2)nc1 ZINC001087459649 977979620 /nfs/dbraw/zinc/97/96/20/977979620.db2.gz PQQSARXZOXQXHB-UYAOXDASSA-N 1 2 369.415 2.759 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@@H]2c2cccc(F)c2)nc1 ZINC001087459649 977979628 /nfs/dbraw/zinc/97/96/28/977979628.db2.gz PQQSARXZOXQXHB-UYAOXDASSA-N 1 2 369.415 2.759 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@@H]2c2ccc(F)cc2)c1 ZINC001087463410 978224485 /nfs/dbraw/zinc/22/44/85/978224485.db2.gz IWGGLKBSLAPWCT-SJLPKXTDSA-N 1 2 358.392 2.583 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@@H]2c2ccc(F)cc2)c1 ZINC001087463410 978224486 /nfs/dbraw/zinc/22/44/86/978224486.db2.gz IWGGLKBSLAPWCT-SJLPKXTDSA-N 1 2 358.392 2.583 20 30 FFEDLO C=CCN(C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)[C@@H](C)COC ZINC000664252188 978439838 /nfs/dbraw/zinc/43/98/38/978439838.db2.gz IYZISQVCISAIBV-WMZOPIPTSA-N 1 2 356.470 2.936 20 30 FFEDLO CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC001137116855 1014501026 /nfs/dbraw/zinc/50/10/26/1014501026.db2.gz SXZPBIOTVXNMAX-OAQYLSRUSA-N 1 2 357.498 2.912 20 30 FFEDLO CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC001137116855 1014501029 /nfs/dbraw/zinc/50/10/29/1014501029.db2.gz SXZPBIOTVXNMAX-OAQYLSRUSA-N 1 2 357.498 2.912 20 30 FFEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC001137119350 1014558687 /nfs/dbraw/zinc/55/86/87/1014558687.db2.gz IHOCSWHRGVSGBI-UHFFFAOYSA-N 1 2 350.422 2.939 20 30 FFEDLO Cc1ccoc1CC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001076222017 979242300 /nfs/dbraw/zinc/24/23/00/979242300.db2.gz JNZAHCAMPVIBFJ-QFBILLFUSA-N 1 2 367.424 2.874 20 30 FFEDLO Cc1ccoc1CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001076222017 979242310 /nfs/dbraw/zinc/24/23/10/979242310.db2.gz JNZAHCAMPVIBFJ-QFBILLFUSA-N 1 2 367.424 2.874 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)[C@@H]2C1 ZINC001076345296 979403984 /nfs/dbraw/zinc/40/39/84/979403984.db2.gz ZKWCIBBHQPGCSC-KCUHQSDYSA-N 1 2 353.441 2.776 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)[C@@H]2C1 ZINC001076345296 979403988 /nfs/dbraw/zinc/40/39/88/979403988.db2.gz ZKWCIBBHQPGCSC-KCUHQSDYSA-N 1 2 353.441 2.776 20 30 FFEDLO C[NH+](C)Cc1nc(CSCCNc2cc3nc[nH]c3c(C#N)n2)cs1 ZINC001168109227 979433239 /nfs/dbraw/zinc/43/32/39/979433239.db2.gz PBGGJYHAIOMPHZ-UHFFFAOYSA-N 1 2 373.511 2.693 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ncc(C(C)C)o4)C[C@H]32)nc1 ZINC001076476129 979556575 /nfs/dbraw/zinc/55/65/75/979556575.db2.gz XGAKFYBRTPJQEI-FUHWJXTLSA-N 1 2 364.449 2.521 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ncc(C(C)C)o4)C[C@H]32)nc1 ZINC001076476129 979556581 /nfs/dbraw/zinc/55/65/81/979556581.db2.gz XGAKFYBRTPJQEI-FUHWJXTLSA-N 1 2 364.449 2.521 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3Cc4cc(C)c(C)cc4O3)[C@@H]2C1 ZINC001076594470 979691442 /nfs/dbraw/zinc/69/14/42/979691442.db2.gz NUZRQSDVFYBNJQ-KVSKMBFKSA-N 1 2 360.885 2.892 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3Cc4cc(C)c(C)cc4O3)[C@@H]2C1 ZINC001076594470 979691447 /nfs/dbraw/zinc/69/14/47/979691447.db2.gz NUZRQSDVFYBNJQ-KVSKMBFKSA-N 1 2 360.885 2.892 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]21)c1ccccc1 ZINC001076599254 979700283 /nfs/dbraw/zinc/70/02/83/979700283.db2.gz IFXZSJCJTLNQAN-YSIASYRMSA-N 1 2 351.450 2.986 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3coc(C)n3)C[C@H]21)c1ccccc1 ZINC001076599254 979700285 /nfs/dbraw/zinc/70/02/85/979700285.db2.gz IFXZSJCJTLNQAN-YSIASYRMSA-N 1 2 351.450 2.986 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)nc3C)[C@@H]2C1 ZINC001076599449 979702021 /nfs/dbraw/zinc/70/20/21/979702021.db2.gz PUAFOCLZKBBTAB-GOEBONIOSA-N 1 2 364.287 2.753 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)nc3C)[C@@H]2C1 ZINC001076599449 979702024 /nfs/dbraw/zinc/70/20/24/979702024.db2.gz PUAFOCLZKBBTAB-GOEBONIOSA-N 1 2 364.287 2.753 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C[C@H]3C=CCC3)[C@H]2C)c1 ZINC001088461985 979707263 /nfs/dbraw/zinc/70/72/63/979707263.db2.gz CLVBQZKGCCCUJP-KPFFTGBYSA-N 1 2 365.477 2.542 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C[C@H]3C=CCC3)[C@H]2C)c1 ZINC001088461985 979707268 /nfs/dbraw/zinc/70/72/68/979707268.db2.gz CLVBQZKGCCCUJP-KPFFTGBYSA-N 1 2 365.477 2.542 20 30 FFEDLO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C)n1cccc1 ZINC001088527453 980442119 /nfs/dbraw/zinc/44/21/19/980442119.db2.gz QLYJBRBSQMIXFE-CLCXKQKWSA-N 1 2 354.429 2.839 20 30 FFEDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C)n1cccc1 ZINC001088527453 980442121 /nfs/dbraw/zinc/44/21/21/980442121.db2.gz QLYJBRBSQMIXFE-CLCXKQKWSA-N 1 2 354.429 2.839 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)[C@@H]1C ZINC001088576082 981230731 /nfs/dbraw/zinc/23/07/31/981230731.db2.gz WIURVMYUTYIYTN-SIXLDLHFSA-N 1 2 359.470 2.612 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)[C@@H]1C ZINC001088576082 981230735 /nfs/dbraw/zinc/23/07/35/981230735.db2.gz WIURVMYUTYIYTN-SIXLDLHFSA-N 1 2 359.470 2.612 20 30 FFEDLO CCCn1nccc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088595750 981374558 /nfs/dbraw/zinc/37/45/58/981374558.db2.gz RYTMMZVKXFBSSR-KDOFPFPSSA-N 1 2 369.444 2.697 20 30 FFEDLO CCCn1nccc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088595750 981374562 /nfs/dbraw/zinc/37/45/62/981374562.db2.gz RYTMMZVKXFBSSR-KDOFPFPSSA-N 1 2 369.444 2.697 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[C@@H](C)C(C)C ZINC001212004726 981450436 /nfs/dbraw/zinc/45/04/36/981450436.db2.gz MCXNACJJSWZTCD-NIKGAXFTSA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[C@@H](C)C(C)C ZINC001212004726 981450440 /nfs/dbraw/zinc/45/04/40/981450440.db2.gz MCXNACJJSWZTCD-NIKGAXFTSA-N 1 2 361.461 2.695 20 30 FFEDLO CCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001212055485 981478776 /nfs/dbraw/zinc/47/87/76/981478776.db2.gz LNLNCCWNEHIHML-ATZDWAIDSA-N 1 2 362.901 2.943 20 30 FFEDLO CCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001212055485 981478778 /nfs/dbraw/zinc/47/87/78/981478778.db2.gz LNLNCCWNEHIHML-ATZDWAIDSA-N 1 2 362.901 2.943 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2csnc2OC)[C@@H]1C ZINC001088624121 982002082 /nfs/dbraw/zinc/00/20/82/982002082.db2.gz NJFIRSYHVSUFEP-HIFRSBDPSA-N 1 2 360.483 2.532 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2csnc2OC)[C@@H]1C ZINC001088624121 982002088 /nfs/dbraw/zinc/00/20/88/982002088.db2.gz NJFIRSYHVSUFEP-HIFRSBDPSA-N 1 2 360.483 2.532 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C(F)F)ncn2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088661956 982235397 /nfs/dbraw/zinc/23/53/97/982235397.db2.gz FTQVQMPGNUTXRP-DOMZBBRYSA-N 1 2 371.391 2.679 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C(F)F)ncn2)CC[N@H+]1Cc1ccccc1C#N ZINC001088661956 982235410 /nfs/dbraw/zinc/23/54/10/982235410.db2.gz FTQVQMPGNUTXRP-DOMZBBRYSA-N 1 2 371.391 2.679 20 30 FFEDLO NC(=NOC[C@@H]1CCCCC1(F)F)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000842023572 982611727 /nfs/dbraw/zinc/61/17/27/982611727.db2.gz FFBKXYRPTPGPJS-KRWDZBQOSA-N 1 2 367.440 2.981 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC000944968437 983995529 /nfs/dbraw/zinc/99/55/29/983995529.db2.gz LTLQCAXMRVYMTI-QINHECLXSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC000944968437 983995533 /nfs/dbraw/zinc/99/55/33/983995533.db2.gz LTLQCAXMRVYMTI-QINHECLXSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CCCC1(C)C ZINC000671399379 984087543 /nfs/dbraw/zinc/08/75/43/984087543.db2.gz ZDUCVNUKCJPGJX-IBGZPJMESA-N 1 2 369.509 2.712 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC001030333794 984698179 /nfs/dbraw/zinc/69/81/79/984698179.db2.gz KCRLVRMIEGCKMT-RLLQIKCJSA-N 1 2 358.457 2.985 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H]2CC[C@@H](c3ccccc3)O2)n1 ZINC000878525967 1015085103 /nfs/dbraw/zinc/08/51/03/1015085103.db2.gz HKMUUKVMDUXGJE-SFTDATJTSA-N 1 2 353.466 2.885 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H]2CC[C@@H](c3ccccc3)O2)n1 ZINC000878525967 1015085110 /nfs/dbraw/zinc/08/51/10/1015085110.db2.gz HKMUUKVMDUXGJE-SFTDATJTSA-N 1 2 353.466 2.885 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)c(C)s3)[C@@H]2C)c1 ZINC001088846365 984977077 /nfs/dbraw/zinc/97/70/77/984977077.db2.gz KIFCRRLYXWASDT-DYVFJYSZSA-N 1 2 354.479 2.529 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)c(C)s3)[C@@H]2C)c1 ZINC001088846365 984977082 /nfs/dbraw/zinc/97/70/82/984977082.db2.gz KIFCRRLYXWASDT-DYVFJYSZSA-N 1 2 354.479 2.529 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2conc2C2CC2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088849856 985001344 /nfs/dbraw/zinc/00/13/44/985001344.db2.gz MIOYQZRCDJDFHX-XIKOKIGWSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2conc2C2CC2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088849856 985001359 /nfs/dbraw/zinc/00/13/59/985001359.db2.gz MIOYQZRCDJDFHX-XIKOKIGWSA-N 1 2 368.412 2.956 20 30 FFEDLO COc1cc(C#N)ccc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001127879896 985148826 /nfs/dbraw/zinc/14/88/26/985148826.db2.gz QYUDYLLKMVONRN-UHFFFAOYSA-N 1 2 363.333 2.913 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)c(C)o1 ZINC001088938526 985538800 /nfs/dbraw/zinc/53/88/00/985538800.db2.gz SQFIYNOFVLMRGC-DIFFPNOSSA-N 1 2 356.401 2.695 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)c(C)o1 ZINC001088938526 985538808 /nfs/dbraw/zinc/53/88/08/985538808.db2.gz SQFIYNOFVLMRGC-DIFFPNOSSA-N 1 2 356.401 2.695 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccc(OC)cc2)[C@H]1C ZINC001088999451 985845431 /nfs/dbraw/zinc/84/54/31/985845431.db2.gz AEYXGBWMMUEUOE-DOMZBBRYSA-N 1 2 353.260 2.796 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccc(OC)cc2)[C@H]1C ZINC001088999451 985845449 /nfs/dbraw/zinc/84/54/49/985845449.db2.gz AEYXGBWMMUEUOE-DOMZBBRYSA-N 1 2 353.260 2.796 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1(CC(C)C)CC1 ZINC001212391197 985985989 /nfs/dbraw/zinc/98/59/89/985985989.db2.gz OPNFNEGQNCXIIN-RTBURBONSA-N 1 2 355.482 2.700 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1(CC(C)C)CC1 ZINC001212391197 985985994 /nfs/dbraw/zinc/98/59/94/985985994.db2.gz OPNFNEGQNCXIIN-RTBURBONSA-N 1 2 355.482 2.700 20 30 FFEDLO CC[C@@H](CC(F)F)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212401381 986118381 /nfs/dbraw/zinc/11/83/81/986118381.db2.gz NWSYSNCKVCPUAL-RCCFBDPRSA-N 1 2 364.436 2.535 20 30 FFEDLO CC[C@@H](CC(F)F)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212401381 986118389 /nfs/dbraw/zinc/11/83/89/986118389.db2.gz NWSYSNCKVCPUAL-RCCFBDPRSA-N 1 2 364.436 2.535 20 30 FFEDLO CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001089085600 986281322 /nfs/dbraw/zinc/28/13/22/986281322.db2.gz PVGZHVMCETYMEK-QAPCUYQASA-N 1 2 364.449 2.745 20 30 FFEDLO CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001089085600 986281330 /nfs/dbraw/zinc/28/13/30/986281330.db2.gz PVGZHVMCETYMEK-QAPCUYQASA-N 1 2 364.449 2.745 20 30 FFEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCCN1C(=O)[C@]12C[C@H]1COC2 ZINC001089180555 986508906 /nfs/dbraw/zinc/50/89/06/986508906.db2.gz SEPMPVNWINSALG-CUWPLCDZSA-N 1 2 371.456 2.547 20 30 FFEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCCN1C(=O)[C@]12C[C@H]1COC2 ZINC001089180555 986508910 /nfs/dbraw/zinc/50/89/10/986508910.db2.gz SEPMPVNWINSALG-CUWPLCDZSA-N 1 2 371.456 2.547 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1nccs1 ZINC001089181810 986512883 /nfs/dbraw/zinc/51/28/83/986512883.db2.gz ZYWKXDBFPUDOMK-BBWFWOEESA-N 1 2 363.527 2.937 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1nccs1 ZINC001089181810 986512889 /nfs/dbraw/zinc/51/28/89/986512889.db2.gz ZYWKXDBFPUDOMK-BBWFWOEESA-N 1 2 363.527 2.937 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@H+](Cc2cc(F)ccc2C#N)CC3)O1 ZINC000992250933 986570287 /nfs/dbraw/zinc/57/02/87/986570287.db2.gz PNQICXKWDJMWHA-ZATISSGFSA-N 1 2 371.456 2.878 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](Cc2cc(F)ccc2C#N)CC3)O1 ZINC000992250933 986570295 /nfs/dbraw/zinc/57/02/95/986570295.db2.gz PNQICXKWDJMWHA-ZATISSGFSA-N 1 2 371.456 2.878 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](CCOc2ccc3ccccc3c2)C1 ZINC001030978508 987140135 /nfs/dbraw/zinc/14/01/35/987140135.db2.gz JMYVJDNTLCEZDK-RTWAWAEBSA-N 1 2 366.461 2.610 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H](C)C(C)(C)C ZINC001212469703 987527918 /nfs/dbraw/zinc/52/79/18/987527918.db2.gz JPJOLOZXKNHEDK-ATZDWAIDSA-N 1 2 360.473 2.675 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H](C)C(C)(C)C ZINC001212469703 987527923 /nfs/dbraw/zinc/52/79/23/987527923.db2.gz JPJOLOZXKNHEDK-ATZDWAIDSA-N 1 2 360.473 2.675 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](C[C@H](OC)c2ccccc2)C1 ZINC001031077562 987579023 /nfs/dbraw/zinc/57/90/23/987579023.db2.gz ZQBWRFGWEIXWEJ-UFYCRDLUSA-N 1 2 358.482 2.546 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](Cc2cccc(COC)c2)C1 ZINC001031076877 987579248 /nfs/dbraw/zinc/57/92/48/987579248.db2.gz AKSVMFABHNQPEC-PMACEKPBSA-N 1 2 358.482 2.505 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001003788955 988296917 /nfs/dbraw/zinc/29/69/17/988296917.db2.gz SNLBCUVKOCICOA-ROUUACIJSA-N 1 2 359.470 2.614 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@H]1Cc2cccc(Cl)c2C1 ZINC001168722731 988408008 /nfs/dbraw/zinc/40/80/08/988408008.db2.gz WJHOBHIXIFNDFJ-KBXCAEBGSA-N 1 2 358.873 2.738 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@H]1Cc2cccc(Cl)c2C1 ZINC001168722731 988408011 /nfs/dbraw/zinc/40/80/11/988408011.db2.gz WJHOBHIXIFNDFJ-KBXCAEBGSA-N 1 2 358.873 2.738 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001061462433 988757489 /nfs/dbraw/zinc/75/74/89/988757489.db2.gz JOXWQTSKXWOHAN-KURKYZTESA-N 1 2 370.497 2.729 20 30 FFEDLO N#Cc1ccc(N2CCC(C(=O)OCc3ccc(N)[nH+]c3)CC2)c(F)c1 ZINC000922725527 988845741 /nfs/dbraw/zinc/84/57/41/988845741.db2.gz HZDYHZOGAHRZDV-UHFFFAOYSA-N 1 2 354.385 2.634 20 30 FFEDLO CCCC[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001212211516 989159140 /nfs/dbraw/zinc/15/91/40/989159140.db2.gz TUZCHBZEKUSEQO-GDIGMMSISA-N 1 2 361.461 2.839 20 30 FFEDLO CCCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001212211516 989159142 /nfs/dbraw/zinc/15/91/42/989159142.db2.gz TUZCHBZEKUSEQO-GDIGMMSISA-N 1 2 361.461 2.839 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2coc(C)n2)C1 ZINC001034436246 990080570 /nfs/dbraw/zinc/08/05/70/990080570.db2.gz LWSZKHILKUJQDY-WDSOQIARSA-N 1 2 361.486 2.825 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2coc(C)n2)C1 ZINC001034436246 990080577 /nfs/dbraw/zinc/08/05/77/990080577.db2.gz LWSZKHILKUJQDY-WDSOQIARSA-N 1 2 361.486 2.825 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2ccn(-c3c(F)cccc3F)n2)cc1 ZINC000154243258 990088651 /nfs/dbraw/zinc/08/86/51/990088651.db2.gz PZXVCLZASLDPOC-UHFFFAOYSA-N 1 2 358.348 2.996 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2CN(C(=O)CCc2[nH]cc[nH+]2)C3)CC1 ZINC001008254943 1015551984 /nfs/dbraw/zinc/55/19/84/1015551984.db2.gz YCTGEMHDZAHSKY-UWJYYQICSA-N 1 2 370.497 2.586 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001005861929 990790048 /nfs/dbraw/zinc/79/00/48/990790048.db2.gz ZLVSNOUMWVKJPR-VDCDIQELSA-N 1 2 368.481 2.508 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001005861929 990790052 /nfs/dbraw/zinc/79/00/52/990790052.db2.gz ZLVSNOUMWVKJPR-VDCDIQELSA-N 1 2 368.481 2.508 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@H](CC)c3ccc(F)cc3F)C[C@@H]2O)C1 ZINC001083763584 991197599 /nfs/dbraw/zinc/19/75/99/991197599.db2.gz RVJRHPGFAOMMAT-KURKYZTESA-N 1 2 364.436 2.934 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@H](CC)c3ccc(F)cc3F)C[C@@H]2O)C1 ZINC001083763584 991197604 /nfs/dbraw/zinc/19/76/04/991197604.db2.gz RVJRHPGFAOMMAT-KURKYZTESA-N 1 2 364.436 2.934 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(CC)n1 ZINC001065166874 991767613 /nfs/dbraw/zinc/76/76/13/991767613.db2.gz UEVKXUXZOMADFG-XDNAFOTISA-N 1 2 370.497 2.508 20 30 FFEDLO NC(=NOCCSc1ccccc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000181882459 991915521 /nfs/dbraw/zinc/91/55/21/991915521.db2.gz FWRIEDROLLUGQM-UHFFFAOYSA-N 1 2 371.506 2.948 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2coc(C)n2)CC1(C)C ZINC000940754528 992144276 /nfs/dbraw/zinc/14/42/76/992144276.db2.gz ZCDJSVGSOBIFEB-FGTMMUONSA-N 1 2 361.486 2.681 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2coc(C)n2)CC1(C)C ZINC000940754528 992144279 /nfs/dbraw/zinc/14/42/79/992144279.db2.gz ZCDJSVGSOBIFEB-FGTMMUONSA-N 1 2 361.486 2.681 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C[C@@H]1CCOC1 ZINC001079513532 992178007 /nfs/dbraw/zinc/17/80/07/992178007.db2.gz ABHVRJXCKFHFFI-JTDSTZFVSA-N 1 2 360.885 2.555 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C[C@@H]1CCOC1 ZINC001079513532 992178014 /nfs/dbraw/zinc/17/80/14/992178014.db2.gz ABHVRJXCKFHFFI-JTDSTZFVSA-N 1 2 360.885 2.555 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2Cl)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079542589 992193027 /nfs/dbraw/zinc/19/30/27/992193027.db2.gz YDPSXAJOEAXZSI-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2Cl)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079542589 992193031 /nfs/dbraw/zinc/19/30/31/992193031.db2.gz YDPSXAJOEAXZSI-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588753 992230413 /nfs/dbraw/zinc/23/04/13/992230413.db2.gz MGOIGUQCHSPOBX-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588753 992230417 /nfs/dbraw/zinc/23/04/17/992230417.db2.gz MGOIGUQCHSPOBX-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC001079855575 992493909 /nfs/dbraw/zinc/49/39/09/992493909.db2.gz GWDXHIHNGMMRGT-NVXWUHKLSA-N 1 2 368.481 2.791 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC001079855575 992493914 /nfs/dbraw/zinc/49/39/14/992493914.db2.gz GWDXHIHNGMMRGT-NVXWUHKLSA-N 1 2 368.481 2.791 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1CCC1(F)F ZINC001079935093 992565592 /nfs/dbraw/zinc/56/55/92/992565592.db2.gz DOXYSIWDTNWNPG-HFBAOOFYSA-N 1 2 351.372 2.679 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1CCC1(F)F ZINC001079935093 992565598 /nfs/dbraw/zinc/56/55/98/992565598.db2.gz DOXYSIWDTNWNPG-HFBAOOFYSA-N 1 2 351.372 2.679 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)c2cccnc2)C1 ZINC001080009493 992644940 /nfs/dbraw/zinc/64/49/40/992644940.db2.gz GSHWPIWPDXSEEA-IUODEOHRSA-N 1 2 366.303 2.704 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)c2cccnc2)C1 ZINC001080009493 992644943 /nfs/dbraw/zinc/64/49/43/992644943.db2.gz GSHWPIWPDXSEEA-IUODEOHRSA-N 1 2 366.303 2.704 20 30 FFEDLO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000880081563 1015751454 /nfs/dbraw/zinc/75/14/54/1015751454.db2.gz SMDNWGDPATYJCS-KRWDZBQOSA-N 1 2 366.377 2.924 20 30 FFEDLO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000880081563 1015751455 /nfs/dbraw/zinc/75/14/55/1015751455.db2.gz SMDNWGDPATYJCS-KRWDZBQOSA-N 1 2 366.377 2.924 20 30 FFEDLO C=C1CCC(C(=O)NC[C@]23CCC[C@H]2N(C(=O)Cc2[nH]cc[nH+]2)CC3)CC1 ZINC000995393059 993151440 /nfs/dbraw/zinc/15/14/40/993151440.db2.gz UIKSJRMHVPJLTI-DYESRHJHSA-N 1 2 370.497 2.586 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)Cc1ccco1 ZINC001080650035 993261916 /nfs/dbraw/zinc/26/19/16/993261916.db2.gz FJEUHHUJPKLTEE-DNVCBOLYSA-N 1 2 356.853 2.964 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)Cc1ccco1 ZINC001080650035 993261921 /nfs/dbraw/zinc/26/19/21/993261921.db2.gz FJEUHHUJPKLTEE-DNVCBOLYSA-N 1 2 356.853 2.964 20 30 FFEDLO CC(C)n1cc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)cn1 ZINC001080765193 993347467 /nfs/dbraw/zinc/34/74/67/993347467.db2.gz BRHYONFBXZYYEK-AUUYWEPGSA-N 1 2 369.444 2.725 20 30 FFEDLO CC(C)n1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)cn1 ZINC001080765193 993347473 /nfs/dbraw/zinc/34/74/73/993347473.db2.gz BRHYONFBXZYYEK-AUUYWEPGSA-N 1 2 369.444 2.725 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3csc(CCC)n3)C[C@H]2C)cn1 ZINC001080809176 993369037 /nfs/dbraw/zinc/36/90/37/993369037.db2.gz FUHWMHIHKLPWLG-RDTXWAMCSA-N 1 2 368.506 2.722 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3csc(CCC)n3)C[C@H]2C)cn1 ZINC001080809176 993369043 /nfs/dbraw/zinc/36/90/43/993369043.db2.gz FUHWMHIHKLPWLG-RDTXWAMCSA-N 1 2 368.506 2.722 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c3cccnc32)C1 ZINC001080785484 993371265 /nfs/dbraw/zinc/37/12/65/993371265.db2.gz VHWOEVGNEZVPRH-QMTHXVAHSA-N 1 2 363.259 2.522 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c3cccnc32)C1 ZINC001080785484 993371270 /nfs/dbraw/zinc/37/12/70/993371270.db2.gz VHWOEVGNEZVPRH-QMTHXVAHSA-N 1 2 363.259 2.522 20 30 FFEDLO COc1cccc(C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)c1 ZINC001080836614 993382311 /nfs/dbraw/zinc/38/23/11/993382311.db2.gz QNSHAFAOYJUYRA-JLTOFOAXSA-N 1 2 367.424 2.956 20 30 FFEDLO COc1cccc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)c1 ZINC001080836614 993382315 /nfs/dbraw/zinc/38/23/15/993382315.db2.gz QNSHAFAOYJUYRA-JLTOFOAXSA-N 1 2 367.424 2.956 20 30 FFEDLO COc1ccccc1C(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001080823011 993397843 /nfs/dbraw/zinc/39/78/43/993397843.db2.gz RBDZPEHMCDDFKO-AUUYWEPGSA-N 1 2 367.424 2.956 20 30 FFEDLO COc1ccccc1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001080823011 993397846 /nfs/dbraw/zinc/39/78/46/993397846.db2.gz RBDZPEHMCDDFKO-AUUYWEPGSA-N 1 2 367.424 2.956 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c(Cl)nc3ccccn32)C1 ZINC001080900445 993463222 /nfs/dbraw/zinc/46/32/22/993463222.db2.gz OALDKHMDRVZPSR-ZYHUDNBSSA-N 1 2 353.253 2.790 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(Cl)nc3ccccn32)C1 ZINC001080900445 993463224 /nfs/dbraw/zinc/46/32/24/993463224.db2.gz OALDKHMDRVZPSR-ZYHUDNBSSA-N 1 2 353.253 2.790 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)CC1CCC1 ZINC001081485111 993845388 /nfs/dbraw/zinc/84/53/88/993845388.db2.gz LSXNWTJWJHQDQZ-RTBURBONSA-N 1 2 360.885 2.697 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)CC1CCC1 ZINC001081485111 993845400 /nfs/dbraw/zinc/84/54/00/993845400.db2.gz LSXNWTJWJHQDQZ-RTBURBONSA-N 1 2 360.885 2.697 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C(C)=C1CCCC1 ZINC001081516132 993866414 /nfs/dbraw/zinc/86/64/14/993866414.db2.gz PSSSFXAPMLWBMF-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C(C)=C1CCCC1 ZINC001081516132 993866419 /nfs/dbraw/zinc/86/64/19/993866419.db2.gz PSSSFXAPMLWBMF-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@]1(C)CC=CCC1 ZINC001081731428 993940886 /nfs/dbraw/zinc/94/08/86/993940886.db2.gz ZSGVVUKEVFGAJJ-SFHLNBCPSA-N 1 2 353.466 2.620 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@]1(C)CC=CCC1 ZINC001081731428 993940895 /nfs/dbraw/zinc/94/08/95/993940895.db2.gz ZSGVVUKEVFGAJJ-SFHLNBCPSA-N 1 2 353.466 2.620 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@H]2OC)cc1 ZINC001082012954 994108517 /nfs/dbraw/zinc/10/85/17/994108517.db2.gz RLURLWCIGMVOJR-WOJBJXKFSA-N 1 2 368.864 2.951 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@H]2OC)cc1 ZINC001082012954 994108526 /nfs/dbraw/zinc/10/85/26/994108526.db2.gz RLURLWCIGMVOJR-WOJBJXKFSA-N 1 2 368.864 2.951 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@@H]1CC=CCC1 ZINC001082029172 994126544 /nfs/dbraw/zinc/12/65/44/994126544.db2.gz KOIFQGNULGZCFA-NJDAHSKKSA-N 1 2 352.478 2.600 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@@H]1CC=CCC1 ZINC001082029172 994126552 /nfs/dbraw/zinc/12/65/52/994126552.db2.gz KOIFQGNULGZCFA-NJDAHSKKSA-N 1 2 352.478 2.600 20 30 FFEDLO C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001131506776 994337690 /nfs/dbraw/zinc/33/76/90/994337690.db2.gz ODVFFMQSWQMJRY-QLFBSQMISA-N 1 2 366.399 2.839 20 30 FFEDLO C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001131506776 994337698 /nfs/dbraw/zinc/33/76/98/994337698.db2.gz ODVFFMQSWQMJRY-QLFBSQMISA-N 1 2 366.399 2.839 20 30 FFEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 ZINC000809544630 994543478 /nfs/dbraw/zinc/54/34/78/994543478.db2.gz PTAIRWILWRSNPO-UHFFFAOYSA-N 1 2 364.445 2.643 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)c3cccc(C#N)c3C)C2)cc1 ZINC001132383339 994865241 /nfs/dbraw/zinc/86/52/41/994865241.db2.gz ULKFVRBRBDSHBV-HXUWFJFHSA-N 1 2 363.461 2.806 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)c3cccc(C#N)c3C)C2)cc1 ZINC001132383339 994865259 /nfs/dbraw/zinc/86/52/59/994865259.db2.gz ULKFVRBRBDSHBV-HXUWFJFHSA-N 1 2 363.461 2.806 20 30 FFEDLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@](C)(C#N)C2)CN1C(=O)OC(C)(C)C ZINC001170650998 995303449 /nfs/dbraw/zinc/30/34/49/995303449.db2.gz FPQUVXDXPXSDCY-YZVOILCLSA-N 1 2 365.474 2.553 20 30 FFEDLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@](C)(C#N)C2)CN1C(=O)OC(C)(C)C ZINC001170650998 995303451 /nfs/dbraw/zinc/30/34/51/995303451.db2.gz FPQUVXDXPXSDCY-YZVOILCLSA-N 1 2 365.474 2.553 20 30 FFEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000812228209 995387282 /nfs/dbraw/zinc/38/72/82/995387282.db2.gz HERKEBMXFCIWQA-UHFFFAOYSA-N 1 2 372.494 2.741 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812852236 995553584 /nfs/dbraw/zinc/55/35/84/995553584.db2.gz DUGCICYGFVEBOI-JXFKEZNVSA-N 1 2 372.490 2.776 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812852236 995553592 /nfs/dbraw/zinc/55/35/92/995553592.db2.gz DUGCICYGFVEBOI-JXFKEZNVSA-N 1 2 372.490 2.776 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4cccc(Cl)c4)C[C@H]32)on1 ZINC001084184334 996315156 /nfs/dbraw/zinc/31/51/56/996315156.db2.gz DIRAGOVLKSYVFZ-SJLPKXTDSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4cccc(Cl)c4)C[C@H]32)on1 ZINC001084184334 996315162 /nfs/dbraw/zinc/31/51/62/996315162.db2.gz DIRAGOVLKSYVFZ-SJLPKXTDSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1nc(C)c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)o1 ZINC001084252153 996357073 /nfs/dbraw/zinc/35/70/73/996357073.db2.gz KLDYARCETUOKHI-SJLPKXTDSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1nc(C)c(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)o1 ZINC001084252153 996357078 /nfs/dbraw/zinc/35/70/78/996357078.db2.gz KLDYARCETUOKHI-SJLPKXTDSA-N 1 2 368.412 2.649 20 30 FFEDLO CCc1nc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)co1 ZINC001084294417 996399242 /nfs/dbraw/zinc/39/92/42/996399242.db2.gz PESNQULLADXMHZ-MLGOLLRUSA-N 1 2 356.451 2.517 20 30 FFEDLO CCc1nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)co1 ZINC001084294417 996399247 /nfs/dbraw/zinc/39/92/47/996399247.db2.gz PESNQULLADXMHZ-MLGOLLRUSA-N 1 2 356.451 2.517 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4[C@@H]5CCC[C@@H]54)[C@@H]3C2)c1 ZINC001084260732 996406182 /nfs/dbraw/zinc/40/61/82/996406182.db2.gz QFLSFEBQBSIFOV-YTYFBAJQSA-N 1 2 353.441 2.776 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4[C@@H]5CCC[C@@H]54)[C@@H]3C2)c1 ZINC001084260732 996406187 /nfs/dbraw/zinc/40/61/87/996406187.db2.gz QFLSFEBQBSIFOV-YTYFBAJQSA-N 1 2 353.441 2.776 20 30 FFEDLO Cc1c[nH]nc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084332777 996462492 /nfs/dbraw/zinc/46/24/92/996462492.db2.gz UXVULMONEKMECV-SJLPKXTDSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1c[nH]nc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084332777 996462496 /nfs/dbraw/zinc/46/24/96/996462496.db2.gz UXVULMONEKMECV-SJLPKXTDSA-N 1 2 368.868 2.570 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)c3c(C)n[nH]c3C)[C@@H]2C1 ZINC001084464798 996575266 /nfs/dbraw/zinc/57/52/66/996575266.db2.gz SVAWPRFBLWNNPN-HFBAOOFYSA-N 1 2 350.894 2.805 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)c3c(C)n[nH]c3C)[C@@H]2C1 ZINC001084464798 996575270 /nfs/dbraw/zinc/57/52/70/996575270.db2.gz SVAWPRFBLWNNPN-HFBAOOFYSA-N 1 2 350.894 2.805 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)C3(F)CCCC3)[C@@H]2C1 ZINC001084469759 996580226 /nfs/dbraw/zinc/58/02/26/996580226.db2.gz MQXIWUGKNQQFIJ-SJLPKXTDSA-N 1 2 371.456 2.882 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2CN(C(=O)C3(F)CCCC3)[C@@H]2C1 ZINC001084469759 996580231 /nfs/dbraw/zinc/58/02/31/996580231.db2.gz MQXIWUGKNQQFIJ-SJLPKXTDSA-N 1 2 371.456 2.882 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)c(C)s1 ZINC001084443555 996596444 /nfs/dbraw/zinc/59/64/44/996596444.db2.gz RKUQOZOPVMGUFI-QZTJIDSGSA-N 1 2 366.490 2.978 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)c(C)s1 ZINC001084443555 996596450 /nfs/dbraw/zinc/59/64/50/996596450.db2.gz RKUQOZOPVMGUFI-QZTJIDSGSA-N 1 2 366.490 2.978 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCN(c4ccccc4)C3)[C@@H]2C1 ZINC001084443901 996596836 /nfs/dbraw/zinc/59/68/36/996596836.db2.gz CLAINZAXIRKIBZ-ZIFCJYIRSA-N 1 2 359.901 2.798 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCN(c4ccccc4)C3)[C@@H]2C1 ZINC001084443901 996596840 /nfs/dbraw/zinc/59/68/40/996596840.db2.gz CLAINZAXIRKIBZ-ZIFCJYIRSA-N 1 2 359.901 2.798 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(OC)c(F)c3)[C@@H]2C1 ZINC001084496806 996635993 /nfs/dbraw/zinc/63/59/93/996635993.db2.gz WEKLLVOBMKKVJN-GDBMZVCRSA-N 1 2 352.837 2.662 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(OC)c(F)c3)[C@@H]2C1 ZINC001084496806 996635996 /nfs/dbraw/zinc/63/59/96/996635996.db2.gz WEKLLVOBMKKVJN-GDBMZVCRSA-N 1 2 352.837 2.662 20 30 FFEDLO Cc1nocc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084627108 996741106 /nfs/dbraw/zinc/74/11/06/996741106.db2.gz NDVGEWMCVWHPJL-VQIMIIECSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1nocc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084627108 996741111 /nfs/dbraw/zinc/74/11/11/996741111.db2.gz NDVGEWMCVWHPJL-VQIMIIECSA-N 1 2 369.852 2.834 20 30 FFEDLO CCOC(=O)c1c(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)cnn1C ZINC001136910316 997018504 /nfs/dbraw/zinc/01/85/04/997018504.db2.gz XRDBPNLUDUCLLG-QGZVFWFLSA-N 1 2 368.437 2.512 20 30 FFEDLO CCOC(=O)c1c(C[N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)cnn1C ZINC001136910316 997018517 /nfs/dbraw/zinc/01/85/17/997018517.db2.gz XRDBPNLUDUCLLG-QGZVFWFLSA-N 1 2 368.437 2.512 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1c[nH+]c2c(C)cccn12 ZINC001136961849 997130685 /nfs/dbraw/zinc/13/06/85/997130685.db2.gz PRTQEEZFOAJLHT-GOSISDBHSA-N 1 2 366.469 2.556 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000824871413 997137812 /nfs/dbraw/zinc/13/78/12/997137812.db2.gz FQMKXSAITBSTRO-UHFFFAOYSA-N 1 2 358.438 2.921 20 30 FFEDLO CCCc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)no1 ZINC001084750507 997188272 /nfs/dbraw/zinc/18/82/72/997188272.db2.gz RIMCJXBRDUDZJA-FZKQIMNGSA-N 1 2 370.478 2.907 20 30 FFEDLO CCCc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)no1 ZINC001084750507 997188278 /nfs/dbraw/zinc/18/82/78/997188278.db2.gz RIMCJXBRDUDZJA-FZKQIMNGSA-N 1 2 370.478 2.907 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(F)cc(F)c4)C[C@H]32)nc1 ZINC001084783555 997353859 /nfs/dbraw/zinc/35/38/59/997353859.db2.gz XCBXFPREHOGIBI-OXQOHEQNSA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(F)cc(F)c4)C[C@H]32)nc1 ZINC001084783555 997353866 /nfs/dbraw/zinc/35/38/66/997353866.db2.gz XCBXFPREHOGIBI-OXQOHEQNSA-N 1 2 367.399 2.688 20 30 FFEDLO Cc1noc(C[C@H]2C[C@H]3C[N@H+](Cc4c(Cl)cccc4C#N)C[C@H]3O2)n1 ZINC001143722788 997601318 /nfs/dbraw/zinc/60/13/18/997601318.db2.gz GQPMHAKAJZBQJA-JJRVBVJISA-N 1 2 358.829 2.735 20 30 FFEDLO Cc1noc(C[C@H]2C[C@H]3C[N@@H+](Cc4c(Cl)cccc4C#N)C[C@H]3O2)n1 ZINC001143722788 997601322 /nfs/dbraw/zinc/60/13/22/997601322.db2.gz GQPMHAKAJZBQJA-JJRVBVJISA-N 1 2 358.829 2.735 20 30 FFEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844329655 997787711 /nfs/dbraw/zinc/78/77/11/997787711.db2.gz JMYDEULTDBOLBT-INIZCTEOSA-N 1 2 360.414 2.956 20 30 FFEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844329655 997787724 /nfs/dbraw/zinc/78/77/24/997787724.db2.gz JMYDEULTDBOLBT-INIZCTEOSA-N 1 2 360.414 2.956 20 30 FFEDLO CC(C)C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(C#N)cn2)C1)n1cc[nH+]c1 ZINC001091009194 998172665 /nfs/dbraw/zinc/17/26/65/998172665.db2.gz ZKTRRKPJVCXCON-NXHRZFHOSA-N 1 2 366.469 2.696 20 30 FFEDLO C=C(Cc1ccccc1)C(=O)N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001144390147 998435540 /nfs/dbraw/zinc/43/55/40/998435540.db2.gz JLVPKYYQMKVYKR-UHFFFAOYSA-N 1 2 367.497 2.650 20 30 FFEDLO C=C(Cc1ccccc1)C(=O)N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001144390147 998435545 /nfs/dbraw/zinc/43/55/45/998435545.db2.gz JLVPKYYQMKVYKR-UHFFFAOYSA-N 1 2 367.497 2.650 20 30 FFEDLO Cc1ccc[n+](C(C(=O)C2C=CC(=NC(N)=O)C=C2)C(=S)NC(C)C)c1 ZINC000732179949 998527292 /nfs/dbraw/zinc/52/72/92/998527292.db2.gz ZLWBZHYLURUFHR-UHFFFAOYSA-O 1 2 371.486 2.794 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CC4)n3C)[C@H]2C1 ZINC001085023996 998701206 /nfs/dbraw/zinc/70/12/06/998701206.db2.gz LDPFFKDFNKOISK-LDBYXDLTSA-N 1 2 371.529 2.718 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C)[C@H]2C1 ZINC001085023996 998701211 /nfs/dbraw/zinc/70/12/11/998701211.db2.gz LDPFFKDFNKOISK-LDBYXDLTSA-N 1 2 371.529 2.718 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc4n3CCCC4)[C@H]2C1 ZINC001085024113 998701241 /nfs/dbraw/zinc/70/12/41/998701241.db2.gz VTZTYIOTEGOWOG-LLGFUMIMSA-N 1 2 371.529 2.640 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc4n3CCCC4)[C@H]2C1 ZINC001085024113 998701245 /nfs/dbraw/zinc/70/12/45/998701245.db2.gz VTZTYIOTEGOWOG-LLGFUMIMSA-N 1 2 371.529 2.640 20 30 FFEDLO N#Cc1ccc(N2CCC(C(=O)OCCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000803867357 1016250984 /nfs/dbraw/zinc/25/09/84/1016250984.db2.gz BVSFNGOOTGQABA-UHFFFAOYSA-N 1 2 356.401 2.744 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccn3CC)C[C@@H]21 ZINC001085094254 998931525 /nfs/dbraw/zinc/93/15/25/998931525.db2.gz LSHOPEVWGLEDTD-ZBFHGGJFSA-N 1 2 366.303 2.953 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccn3CC)C[C@@H]21 ZINC001085094254 998931528 /nfs/dbraw/zinc/93/15/28/998931528.db2.gz LSHOPEVWGLEDTD-ZBFHGGJFSA-N 1 2 366.303 2.953 20 30 FFEDLO CCOc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)c2ccc(OC)cc2)cc1 ZINC000733305950 998953031 /nfs/dbraw/zinc/95/30/31/998953031.db2.gz CZKJIGNDNKQAKG-CYBMUJFWSA-N 1 2 357.410 2.758 20 30 FFEDLO C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1CNc1cccc(F)c1C#N ZINC001054426392 1016314027 /nfs/dbraw/zinc/31/40/27/1016314027.db2.gz VTLICFSUKHEEAW-ZIAGYGMSSA-N 1 2 369.444 2.905 20 30 FFEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719590 999614761 /nfs/dbraw/zinc/61/47/61/999614761.db2.gz XZPHTFUYACITRH-QFUCXCTJSA-N 1 2 371.456 2.689 20 30 FFEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719590 999614763 /nfs/dbraw/zinc/61/47/63/999614763.db2.gz XZPHTFUYACITRH-QFUCXCTJSA-N 1 2 371.456 2.689 20 30 FFEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001085736911 999617193 /nfs/dbraw/zinc/61/71/93/999617193.db2.gz YQEBUOPCIWOSRB-GGPKGHCWSA-N 1 2 371.456 2.545 20 30 FFEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001085736911 999617194 /nfs/dbraw/zinc/61/71/94/999617194.db2.gz YQEBUOPCIWOSRB-GGPKGHCWSA-N 1 2 371.456 2.545 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001085733597 999619323 /nfs/dbraw/zinc/61/93/23/999619323.db2.gz JGEKTHQBHZDBMO-LMMKCTJWSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001085733597 999619324 /nfs/dbraw/zinc/61/93/24/999619324.db2.gz JGEKTHQBHZDBMO-LMMKCTJWSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001085733783 999619388 /nfs/dbraw/zinc/61/93/88/999619388.db2.gz PEFXCGMQMJSRGV-LMMKCTJWSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001085733783 999619390 /nfs/dbraw/zinc/61/93/90/999619390.db2.gz PEFXCGMQMJSRGV-LMMKCTJWSA-N 1 2 359.445 2.545 20 30 FFEDLO COc1cccc(N[NH+]=Cc2c(N3CCOCC3)nc3ccccn32)c1 ZINC000741806795 999744976 /nfs/dbraw/zinc/74/49/76/999744976.db2.gz PEPKGBMYEDIOQH-UHFFFAOYSA-N 1 2 351.410 2.626 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001066451225 999819794 /nfs/dbraw/zinc/81/97/94/999819794.db2.gz WOKCBHBZGJNUPS-DWRORGKVSA-N 1 2 358.486 2.853 20 30 FFEDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000746320946 999968893 /nfs/dbraw/zinc/96/88/93/999968893.db2.gz XDJURAKCACKMMP-UHFFFAOYSA-N 1 2 360.408 2.966 20 30 FFEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000746320946 999968894 /nfs/dbraw/zinc/96/88/94/999968894.db2.gz XDJURAKCACKMMP-UHFFFAOYSA-N 1 2 360.408 2.966 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001108738143 1000104768 /nfs/dbraw/zinc/10/47/68/1000104768.db2.gz BCQBBMLYEXMDOY-ZVZYQTTQSA-N 1 2 358.486 2.950 20 30 FFEDLO Cc1cc(C#N)cc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)n1 ZINC001129377123 1000148790 /nfs/dbraw/zinc/14/87/90/1000148790.db2.gz DYFOTRAQORHKCG-UHFFFAOYSA-N 1 2 374.404 2.739 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)Nc1ccccc1 ZINC001109171139 1000179273 /nfs/dbraw/zinc/17/92/73/1000179273.db2.gz FTIGMJDMMQNHNS-RNQOJCNYSA-N 1 2 367.493 2.929 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)Nc1ccccc1 ZINC001109171139 1000179274 /nfs/dbraw/zinc/17/92/74/1000179274.db2.gz FTIGMJDMMQNHNS-RNQOJCNYSA-N 1 2 367.493 2.929 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccc(F)cc2o1 ZINC001109204018 1000185337 /nfs/dbraw/zinc/18/53/37/1000185337.db2.gz AFEOFEQQNSUXSA-WJCADGGCSA-N 1 2 373.428 2.516 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccc(F)cc2o1 ZINC001109204018 1000185339 /nfs/dbraw/zinc/18/53/39/1000185339.db2.gz AFEOFEQQNSUXSA-WJCADGGCSA-N 1 2 373.428 2.516 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(F)c1 ZINC001109204187 1000185605 /nfs/dbraw/zinc/18/56/05/1000185605.db2.gz GNEYRZZTIFPVQH-DOEAQHAXSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(F)c1 ZINC001109204187 1000185607 /nfs/dbraw/zinc/18/56/07/1000185607.db2.gz GNEYRZZTIFPVQH-DOEAQHAXSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001109271368 1000212881 /nfs/dbraw/zinc/21/28/81/1000212881.db2.gz MQYCPXJTYUWWOV-BQFCYCMXSA-N 1 2 360.502 2.831 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C(C)C ZINC001109329436 1000278812 /nfs/dbraw/zinc/27/88/12/1000278812.db2.gz WMPMCBIXYUCUSH-YSHGAJCASA-N 1 2 361.530 2.637 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C(C)C ZINC001109329436 1000278814 /nfs/dbraw/zinc/27/88/14/1000278814.db2.gz WMPMCBIXYUCUSH-YSHGAJCASA-N 1 2 361.530 2.637 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(O)cc1 ZINC001109341098 1000289232 /nfs/dbraw/zinc/28/92/32/1000289232.db2.gz XUONLSPNPADWSN-NJAFHUGGSA-N 1 2 371.481 2.655 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(O)cc1 ZINC001109341098 1000289236 /nfs/dbraw/zinc/28/92/36/1000289236.db2.gz XUONLSPNPADWSN-NJAFHUGGSA-N 1 2 371.481 2.655 20 30 FFEDLO Cc1nc(N[C@@H]2CCCC[C@H]2NC(=O)CCCn2cc[nH+]c2)ccc1C#N ZINC001091264119 1000354144 /nfs/dbraw/zinc/35/41/44/1000354144.db2.gz QSGSNZXSBMGBLP-QZTJIDSGSA-N 1 2 366.469 2.778 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC001091278126 1000361751 /nfs/dbraw/zinc/36/17/51/1000361751.db2.gz KOGUGZSUJKEKCI-QZTJIDSGSA-N 1 2 371.529 2.906 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001091278126 1000361756 /nfs/dbraw/zinc/36/17/56/1000361756.db2.gz KOGUGZSUJKEKCI-QZTJIDSGSA-N 1 2 371.529 2.906 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1CCCC[C@H]1Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001091281310 1000365896 /nfs/dbraw/zinc/36/58/96/1000365896.db2.gz FHCRAEMDWMIRSW-IAGOWNOFSA-N 1 2 356.470 2.542 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001091289553 1000375830 /nfs/dbraw/zinc/37/58/30/1000375830.db2.gz CJSWAOPCRHHGRG-NUEKZKHPSA-N 1 2 356.474 2.805 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC001091289250 1000375918 /nfs/dbraw/zinc/37/59/18/1000375918.db2.gz YKNVTQPMAQSPDU-IAGOWNOFSA-N 1 2 357.502 2.516 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001091289250 1000375921 /nfs/dbraw/zinc/37/59/21/1000375921.db2.gz YKNVTQPMAQSPDU-IAGOWNOFSA-N 1 2 357.502 2.516 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)nn1 ZINC000846834705 1000436489 /nfs/dbraw/zinc/43/64/89/1000436489.db2.gz DHDWSURVHCWCQS-NVXWUHKLSA-N 1 2 363.506 2.979 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)nn1 ZINC000846834705 1000436491 /nfs/dbraw/zinc/43/64/91/1000436491.db2.gz DHDWSURVHCWCQS-NVXWUHKLSA-N 1 2 363.506 2.979 20 30 FFEDLO C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109431465 1000445388 /nfs/dbraw/zinc/44/53/88/1000445388.db2.gz QAWZEZSEUACFCP-QZWWFDLISA-N 1 2 350.894 2.944 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)nn1 ZINC000846917399 1000477569 /nfs/dbraw/zinc/47/75/69/1000477569.db2.gz AZSRARFFUMZADK-NVXWUHKLSA-N 1 2 361.490 2.686 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)nn1 ZINC000846917399 1000477571 /nfs/dbraw/zinc/47/75/71/1000477571.db2.gz AZSRARFFUMZADK-NVXWUHKLSA-N 1 2 361.490 2.686 20 30 FFEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c1 ZINC000769483172 1000520709 /nfs/dbraw/zinc/52/07/09/1000520709.db2.gz NIURZAIYDSVXBG-LJQANCHMSA-N 1 2 363.417 2.774 20 30 FFEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)c1 ZINC000769483172 1000520714 /nfs/dbraw/zinc/52/07/14/1000520714.db2.gz NIURZAIYDSVXBG-LJQANCHMSA-N 1 2 363.417 2.774 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(o1)c(F)ccc3C)C2 ZINC001109546987 1000622483 /nfs/dbraw/zinc/62/24/83/1000622483.db2.gz FMUQMSKMOFNYAX-JLSDUUJJSA-N 1 2 370.424 2.865 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(o1)c(F)ccc3C)C2 ZINC001109546987 1000622484 /nfs/dbraw/zinc/62/24/84/1000622484.db2.gz FMUQMSKMOFNYAX-JLSDUUJJSA-N 1 2 370.424 2.865 20 30 FFEDLO C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001146228492 1000644635 /nfs/dbraw/zinc/64/46/35/1000644635.db2.gz WCIGNVAREOBDSZ-BFUOFWGJSA-N 1 2 360.458 2.694 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CCCCC2)CCC1 ZINC001109683244 1000839778 /nfs/dbraw/zinc/83/97/78/1000839778.db2.gz DDQZOSUVVUQAFS-QYZOEREBSA-N 1 2 373.541 2.903 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CCCCC2)CCC1 ZINC001109683244 1000839787 /nfs/dbraw/zinc/83/97/87/1000839787.db2.gz DDQZOSUVVUQAFS-QYZOEREBSA-N 1 2 373.541 2.903 20 30 FFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001091640924 1000921738 /nfs/dbraw/zinc/92/17/38/1000921738.db2.gz WXMCLCVMLLGKTR-QLFBSQMISA-N 1 2 369.444 2.996 20 30 FFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001091640924 1000921744 /nfs/dbraw/zinc/92/17/44/1000921744.db2.gz WXMCLCVMLLGKTR-QLFBSQMISA-N 1 2 369.444 2.996 20 30 FFEDLO Cc1ccc(C#N)c(N[C@@H]2CC[C@H](CNC(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)n1 ZINC001091640295 1000929307 /nfs/dbraw/zinc/92/93/07/1000929307.db2.gz HXPZSIIYRBMUAC-UKPHBRMFSA-N 1 2 366.469 2.560 20 30 FFEDLO Cc1ccc(C#N)c(N[C@@H]2CC[C@H](CNC(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)n1 ZINC001091640295 1000929309 /nfs/dbraw/zinc/92/93/09/1000929309.db2.gz HXPZSIIYRBMUAC-UKPHBRMFSA-N 1 2 366.469 2.560 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC(C)C)CCCC1)C2 ZINC001109855950 1001084974 /nfs/dbraw/zinc/08/49/74/1001084974.db2.gz BABIOVYKANWEJU-SQNIBIBYSA-N 1 2 361.530 2.617 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC(C)C)CCCC1)C2 ZINC001109855950 1001084980 /nfs/dbraw/zinc/08/49/80/1001084980.db2.gz BABIOVYKANWEJU-SQNIBIBYSA-N 1 2 361.530 2.617 20 30 FFEDLO CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CCOCC1 ZINC001109900736 1001136993 /nfs/dbraw/zinc/13/69/93/1001136993.db2.gz DNHVIVSSAHDKJI-AABGKKOBSA-N 1 2 367.493 2.987 20 30 FFEDLO CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CCOCC1 ZINC001109900736 1001136997 /nfs/dbraw/zinc/13/69/97/1001136997.db2.gz DNHVIVSSAHDKJI-AABGKKOBSA-N 1 2 367.493 2.987 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cccnc2)C3)c1 ZINC001096724485 1016477398 /nfs/dbraw/zinc/47/73/98/1016477398.db2.gz NBDYKNRVJWKERL-QRQLOZEOSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cccnc2)C3)c1 ZINC001096724485 1016477405 /nfs/dbraw/zinc/47/74/05/1016477405.db2.gz NBDYKNRVJWKERL-QRQLOZEOSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C34CC(C(F)(F)F)(C3)C4)CC2)cc1 ZINC000786695557 1001617170 /nfs/dbraw/zinc/61/71/70/1001617170.db2.gz GLWNTJWRVKRPLO-UHFFFAOYSA-N 1 2 363.383 2.935 20 30 FFEDLO Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)n1C ZINC001096794077 1016550461 /nfs/dbraw/zinc/55/04/61/1016550461.db2.gz VTTMNZFMNWDFEG-QRQLOZEOSA-N 1 2 366.440 2.880 20 30 FFEDLO Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)n1C ZINC001096794077 1016550475 /nfs/dbraw/zinc/55/04/75/1016550475.db2.gz VTTMNZFMNWDFEG-QRQLOZEOSA-N 1 2 366.440 2.880 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(Cl)cc(OC)c2OC)C1=O ZINC001276218175 1016561186 /nfs/dbraw/zinc/56/11/86/1016561186.db2.gz JXOURESQTLFRME-IBGZPJMESA-N 1 2 362.857 2.557 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Cl)cc(OC)c2OC)C1=O ZINC001276218175 1016561194 /nfs/dbraw/zinc/56/11/94/1016561194.db2.gz JXOURESQTLFRME-IBGZPJMESA-N 1 2 362.857 2.557 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cc(C)on2)C1 ZINC001086579767 1002197272 /nfs/dbraw/zinc/19/72/72/1002197272.db2.gz WUNOWBFZFYREKV-ZWKOTPCHSA-N 1 2 359.857 2.862 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cc(C)on2)C1 ZINC001086579767 1002197282 /nfs/dbraw/zinc/19/72/82/1002197282.db2.gz WUNOWBFZFYREKV-ZWKOTPCHSA-N 1 2 359.857 2.862 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@@]2(C)C1 ZINC001092029718 1002314725 /nfs/dbraw/zinc/31/47/25/1002314725.db2.gz FAAIYWXECLLTHH-WNYKGXGASA-N 1 2 359.297 2.677 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@@]2(C)C1 ZINC001092029718 1002314737 /nfs/dbraw/zinc/31/47/37/1002314737.db2.gz FAAIYWXECLLTHH-WNYKGXGASA-N 1 2 359.297 2.677 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@](F)(CO)CC1 ZINC001183828727 1002400599 /nfs/dbraw/zinc/40/05/99/1002400599.db2.gz LRAATMDMTIDBPG-FPOVZHCZSA-N 1 2 373.472 2.626 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@](F)(CO)CC1 ZINC001183828727 1002400606 /nfs/dbraw/zinc/40/06/06/1002400606.db2.gz LRAATMDMTIDBPG-FPOVZHCZSA-N 1 2 373.472 2.626 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](CCO)C1 ZINC001183831084 1002404090 /nfs/dbraw/zinc/40/40/90/1002404090.db2.gz LJVBKMZJKCPQTH-XLIONFOSSA-N 1 2 355.482 2.534 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](CCO)C1 ZINC001183831084 1002404093 /nfs/dbraw/zinc/40/40/93/1002404093.db2.gz LJVBKMZJKCPQTH-XLIONFOSSA-N 1 2 355.482 2.534 20 30 FFEDLO CC(C)CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C#N)nc2)C1 ZINC001092313282 1002660436 /nfs/dbraw/zinc/66/04/36/1002660436.db2.gz FQWOCSAWCWHJFF-QZTJIDSGSA-N 1 2 366.469 2.529 20 30 FFEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000791366626 1002684370 /nfs/dbraw/zinc/68/43/70/1002684370.db2.gz FHSAWKSMTINGAZ-UHFFFAOYSA-N 1 2 374.400 2.526 20 30 FFEDLO N#Cc1ccc(NC(=O)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)cc1 ZINC001184724771 1002703936 /nfs/dbraw/zinc/70/39/36/1002703936.db2.gz BWUIZPGHXXFPHC-QGZVFWFLSA-N 1 2 365.437 2.845 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cscn2)C3)c1 ZINC001096879861 1016668284 /nfs/dbraw/zinc/66/82/84/1016668284.db2.gz LHULZKRTTVFRBZ-UNEWFSDZSA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cscn2)C3)c1 ZINC001096879861 1016668294 /nfs/dbraw/zinc/66/82/94/1016668294.db2.gz LHULZKRTTVFRBZ-UNEWFSDZSA-N 1 2 356.426 2.689 20 30 FFEDLO Cc1nc(N2C[C@@H](C)[C@H](CCNC(=O)CC#Cc3ccccc3)C2)cc[nH+]1 ZINC001092529668 1003066630 /nfs/dbraw/zinc/06/66/30/1003066630.db2.gz XRONUQROANMGGK-YLJYHZDGSA-N 1 2 362.477 2.805 20 30 FFEDLO CCNc1nc(N=NC(C)C[NH+]2Cc3ccccc3C2)nc(NCC)n1 ZINC000792627570 1003119744 /nfs/dbraw/zinc/11/97/44/1003119744.db2.gz XIQCQINDISADTL-UHFFFAOYSA-N 1 2 354.462 2.539 20 30 FFEDLO CCOC(=O)c1cnc(N=NC(C)C[NH+]2Cc3ccccc3C2)nc1C ZINC000792634641 1003136962 /nfs/dbraw/zinc/13/69/62/1003136962.db2.gz FNYIMSHWDYESES-UHFFFAOYSA-N 1 2 353.426 2.765 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@H](CCNc2[nH+]cnc3c2cnn3C)C1 ZINC001092625700 1003331057 /nfs/dbraw/zinc/33/10/57/1003331057.db2.gz CJPJNMABAZCNTR-OWCLPIDISA-N 1 2 370.501 2.862 20 30 FFEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@](C(=O)OC)(c3ccccc3)C2)c1=S ZINC000793601906 1003437380 /nfs/dbraw/zinc/43/73/80/1003437380.db2.gz ZPKJWEPPLAYLEJ-IBGZPJMESA-N 1 2 372.494 2.683 20 30 FFEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@](C(=O)OC)(c3ccccc3)C2)c1=S ZINC000793601906 1003437390 /nfs/dbraw/zinc/43/73/90/1003437390.db2.gz ZPKJWEPPLAYLEJ-IBGZPJMESA-N 1 2 372.494 2.683 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(Cl)ccc1OC ZINC001110384993 1003441925 /nfs/dbraw/zinc/44/19/25/1003441925.db2.gz HKEGDNQWFUZFTQ-ZACQAIPSSA-N 1 2 364.873 2.773 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(Cl)ccc1OC ZINC001110384993 1003441929 /nfs/dbraw/zinc/44/19/29/1003441929.db2.gz HKEGDNQWFUZFTQ-ZACQAIPSSA-N 1 2 364.873 2.773 20 30 FFEDLO Cn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)c1 ZINC001096951972 1016818821 /nfs/dbraw/zinc/81/88/21/1016818821.db2.gz QCNCNOGANNJFKO-QRQLOZEOSA-N 1 2 352.413 2.571 20 30 FFEDLO Cn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)c1 ZINC001096951972 1016818836 /nfs/dbraw/zinc/81/88/36/1016818836.db2.gz QCNCNOGANNJFKO-QRQLOZEOSA-N 1 2 352.413 2.571 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1O ZINC001196446280 1003768000 /nfs/dbraw/zinc/76/80/00/1003768000.db2.gz PTDKIFVFAOTRSV-RTBURBONSA-N 1 2 369.465 2.605 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1O ZINC001196446280 1003768006 /nfs/dbraw/zinc/76/80/06/1003768006.db2.gz PTDKIFVFAOTRSV-RTBURBONSA-N 1 2 369.465 2.605 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCC2(F)F)C3)c1 ZINC001095598248 1016827649 /nfs/dbraw/zinc/82/76/49/1016827649.db2.gz TYHVPOTZXMCRJA-OHFALNGGSA-N 1 2 363.383 2.964 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCC2(F)F)C3)c1 ZINC001095598248 1016827656 /nfs/dbraw/zinc/82/76/56/1016827656.db2.gz TYHVPOTZXMCRJA-OHFALNGGSA-N 1 2 363.383 2.964 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)c1ccsn1 ZINC001095598126 1016826093 /nfs/dbraw/zinc/82/60/93/1016826093.db2.gz PDZXXVXMSOTVGY-NJAFHUGGSA-N 1 2 355.438 2.669 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)c1ccsn1 ZINC001095598126 1016826109 /nfs/dbraw/zinc/82/61/09/1016826109.db2.gz PDZXXVXMSOTVGY-NJAFHUGGSA-N 1 2 355.438 2.669 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2ccc(CN(C)C(=O)OC(C)(C)C)cc2)CC1 ZINC001192063582 1004050568 /nfs/dbraw/zinc/05/05/68/1004050568.db2.gz LYBNAAPKDXIWEO-UHFFFAOYSA-N 1 2 373.497 2.997 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(F)cn2)C3)c(F)c1 ZINC001096988259 1016842525 /nfs/dbraw/zinc/84/25/25/1016842525.db2.gz XXQKIVDBSVXZQU-LZQZEXGQSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(F)cn2)C3)c(F)c1 ZINC001096988259 1016842543 /nfs/dbraw/zinc/84/25/43/1016842543.db2.gz XXQKIVDBSVXZQU-LZQZEXGQSA-N 1 2 368.387 2.767 20 30 FFEDLO CCCCCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001197082610 1004076324 /nfs/dbraw/zinc/07/63/24/1004076324.db2.gz KBLDYHPJBQCADL-ZTFGCOKTSA-N 1 2 363.527 2.888 20 30 FFEDLO CCCCCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001197082610 1004076334 /nfs/dbraw/zinc/07/63/34/1004076334.db2.gz KBLDYHPJBQCADL-ZTFGCOKTSA-N 1 2 363.527 2.888 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1O ZINC001193258710 1004423628 /nfs/dbraw/zinc/42/36/28/1004423628.db2.gz OGULKDVHIWPKED-HUUCEWRRSA-N 1 2 357.281 2.780 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1O ZINC001193258710 1004423629 /nfs/dbraw/zinc/42/36/29/1004423629.db2.gz OGULKDVHIWPKED-HUUCEWRRSA-N 1 2 357.281 2.780 20 30 FFEDLO CCC[C@@H](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001193287187 1004438910 /nfs/dbraw/zinc/43/89/10/1004438910.db2.gz WUJXDKDULXSBMS-ZTFGCOKTSA-N 1 2 363.527 2.888 20 30 FFEDLO CCC[C@@H](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001193287187 1004438915 /nfs/dbraw/zinc/43/89/15/1004438915.db2.gz WUJXDKDULXSBMS-ZTFGCOKTSA-N 1 2 363.527 2.888 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000807336495 1004565831 /nfs/dbraw/zinc/56/58/31/1004565831.db2.gz DLSUVBPDNTWWSY-GOSISDBHSA-N 1 2 372.428 2.562 20 30 FFEDLO C=CCOC(=O)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001194300459 1004696801 /nfs/dbraw/zinc/69/68/01/1004696801.db2.gz HJCWUPUWWBKAPW-LBPRGKRZSA-N 1 2 366.215 2.793 20 30 FFEDLO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110543733 1005060552 /nfs/dbraw/zinc/06/05/52/1005060552.db2.gz GEMGYOSPTKUDGH-MKXGPGLRSA-N 1 2 373.541 2.549 20 30 FFEDLO CC[C@@H]1CCCCN1C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110543733 1005060556 /nfs/dbraw/zinc/06/05/56/1005060556.db2.gz GEMGYOSPTKUDGH-MKXGPGLRSA-N 1 2 373.541 2.549 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1Cl ZINC001110546022 1005071487 /nfs/dbraw/zinc/07/14/87/1005071487.db2.gz JGRCFYGXUGAHMB-QVDUIBETSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1Cl ZINC001110546022 1005071491 /nfs/dbraw/zinc/07/14/91/1005071491.db2.gz JGRCFYGXUGAHMB-QVDUIBETSA-N 1 2 364.848 2.739 20 30 FFEDLO C=CCC1(C(=O)N2CCC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CCC1 ZINC001487570924 1005075607 /nfs/dbraw/zinc/07/56/07/1005075607.db2.gz OSVDPJWLCXKJSY-IAGOWNOFSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCC1(C(=O)N2CCC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CCC1 ZINC001487570924 1005075611 /nfs/dbraw/zinc/07/56/11/1005075611.db2.gz OSVDPJWLCXKJSY-IAGOWNOFSA-N 1 2 370.497 2.709 20 30 FFEDLO Cc1ccc(S(=O)(=O)Nc2cccc(Cn3cc[nH+]c3)c2)cc1C#N ZINC001201317285 1005198631 /nfs/dbraw/zinc/19/86/31/1005198631.db2.gz OLMBZYYSQFCOHD-UHFFFAOYSA-N 1 2 352.419 2.912 20 30 FFEDLO CCc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095671114 1016959029 /nfs/dbraw/zinc/95/90/29/1016959029.db2.gz AHQXXEWKVLFZEH-CCKFTAQKSA-N 1 2 367.428 2.518 20 30 FFEDLO CCc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095671114 1016959044 /nfs/dbraw/zinc/95/90/44/1016959044.db2.gz AHQXXEWKVLFZEH-CCKFTAQKSA-N 1 2 367.428 2.518 20 30 FFEDLO C#C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[C@@H]1CCCO1 ZINC000776230941 1005292906 /nfs/dbraw/zinc/29/29/06/1005292906.db2.gz MSYGRLCJRUBTCA-LWYYNNOASA-N 1 2 364.449 2.592 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C(C)C ZINC001110596506 1005405973 /nfs/dbraw/zinc/40/59/73/1005405973.db2.gz MERYPTPDYZBXQK-MIGQKNRLSA-N 1 2 369.937 2.647 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C(C)C ZINC001110596506 1005405975 /nfs/dbraw/zinc/40/59/75/1005405975.db2.gz MERYPTPDYZBXQK-MIGQKNRLSA-N 1 2 369.937 2.647 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)COC(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001489112536 1005411630 /nfs/dbraw/zinc/41/16/30/1005411630.db2.gz YGOOZOOGRGQGAW-ZWKOTPCHSA-N 1 2 361.461 2.982 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)COC(C)(C)C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001489112536 1005411631 /nfs/dbraw/zinc/41/16/31/1005411631.db2.gz YGOOZOOGRGQGAW-ZWKOTPCHSA-N 1 2 361.461 2.982 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nnc3n2CCCCC3)[C@@H]1CC ZINC001489129129 1005416296 /nfs/dbraw/zinc/41/62/96/1005416296.db2.gz WGCULQSNWSLONO-ZWKOTPCHSA-N 1 2 371.529 2.667 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nnc3n2CCCCC3)[C@@H]1CC ZINC001489129129 1005416297 /nfs/dbraw/zinc/41/62/97/1005416297.db2.gz WGCULQSNWSLONO-ZWKOTPCHSA-N 1 2 371.529 2.667 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C[C@H]21 ZINC001489652376 1005518780 /nfs/dbraw/zinc/51/87/80/1005518780.db2.gz LSHBMUJYJNMLHB-NVXWUHKLSA-N 1 2 366.465 2.610 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001489890120 1005562462 /nfs/dbraw/zinc/56/24/62/1005562462.db2.gz WXTYHSFTWKMCMS-MRUHUIDDSA-N 1 2 368.481 2.951 20 30 FFEDLO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001490793645 1005772170 /nfs/dbraw/zinc/77/21/70/1005772170.db2.gz IESWQYKCLBWXTQ-YSFYHYPLSA-N 1 2 366.505 2.895 20 30 FFEDLO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001490793645 1005772173 /nfs/dbraw/zinc/77/21/73/1005772173.db2.gz IESWQYKCLBWXTQ-YSFYHYPLSA-N 1 2 366.505 2.895 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3cccc(Cl)c3)C[C@H]21 ZINC001187209179 1005979390 /nfs/dbraw/zinc/97/93/90/1005979390.db2.gz LGHGPULSRUCHMW-WMLDXEAASA-N 1 2 361.873 2.777 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3cccc(Cl)c3)C[C@H]21 ZINC001187209179 1005979394 /nfs/dbraw/zinc/97/93/94/1005979394.db2.gz LGHGPULSRUCHMW-WMLDXEAASA-N 1 2 361.873 2.777 20 30 FFEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000852332287 1005982494 /nfs/dbraw/zinc/98/24/94/1005982494.db2.gz QCXNZXQJLAGSTO-QHCPKHFHSA-N 1 2 374.488 2.914 20 30 FFEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000852332287 1005982504 /nfs/dbraw/zinc/98/25/04/1005982504.db2.gz QCXNZXQJLAGSTO-QHCPKHFHSA-N 1 2 374.488 2.914 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001187882697 1006305812 /nfs/dbraw/zinc/30/58/12/1006305812.db2.gz SSAYINSHYQDTKH-QIIPPGSGSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001187882697 1006305821 /nfs/dbraw/zinc/30/58/21/1006305821.db2.gz SSAYINSHYQDTKH-QIIPPGSGSA-N 1 2 364.848 2.550 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3cccc(OC)c3)C[C@H]21 ZINC001188086760 1006404215 /nfs/dbraw/zinc/40/42/15/1006404215.db2.gz AEHQUWCUKNSAJJ-QFBILLFUSA-N 1 2 371.481 2.523 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3cccc(OC)c3)C[C@H]21 ZINC001188086760 1006404223 /nfs/dbraw/zinc/40/42/23/1006404223.db2.gz AEHQUWCUKNSAJJ-QFBILLFUSA-N 1 2 371.481 2.523 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1ccc(C3(C#N)CC3)cn1)C[NH2+]C2(C)C ZINC001170759725 1006406428 /nfs/dbraw/zinc/40/64/28/1006406428.db2.gz MZVKDFWWCMXVKB-UHFFFAOYSA-N 1 2 366.425 2.920 20 30 FFEDLO CN(c1ccccc1)[C@H]1CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000853583471 1006458167 /nfs/dbraw/zinc/45/81/67/1006458167.db2.gz BMFGJQMSVWEYAG-IBGZPJMESA-N 1 2 362.477 2.767 20 30 FFEDLO CN(c1ccccc1)[C@H]1CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000853583471 1006458174 /nfs/dbraw/zinc/45/81/74/1006458174.db2.gz BMFGJQMSVWEYAG-IBGZPJMESA-N 1 2 362.477 2.767 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CC[C@@H]1CCCO1 ZINC001206143176 1032161054 /nfs/dbraw/zinc/16/10/54/1032161054.db2.gz WVBGJGHTFVYUTP-MDASCCDHSA-N 1 2 359.445 2.593 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CC[C@@H]1CCCO1 ZINC001206143176 1032161065 /nfs/dbraw/zinc/16/10/65/1032161065.db2.gz WVBGJGHTFVYUTP-MDASCCDHSA-N 1 2 359.445 2.593 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC1CCCC1)C2 ZINC001110679839 1006724027 /nfs/dbraw/zinc/72/40/27/1006724027.db2.gz BVEPNQDQQPOZPO-NJYVYQBISA-N 1 2 367.493 2.987 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC1CCCC1)C2 ZINC001110679839 1006724040 /nfs/dbraw/zinc/72/40/40/1006724040.db2.gz BVEPNQDQQPOZPO-NJYVYQBISA-N 1 2 367.493 2.987 20 30 FFEDLO CCC[C@H](OC)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001188768929 1006725054 /nfs/dbraw/zinc/72/50/54/1006725054.db2.gz XGQXHTIQAUKWCI-IPELMVKDSA-N 1 2 359.445 2.545 20 30 FFEDLO CCC[C@H](OC)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001188768929 1006725060 /nfs/dbraw/zinc/72/50/60/1006725060.db2.gz XGQXHTIQAUKWCI-IPELMVKDSA-N 1 2 359.445 2.545 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nc(C4CC4)no3)C[C@H]21 ZINC001188866811 1006755378 /nfs/dbraw/zinc/75/53/78/1006755378.db2.gz PFIRDUYEIAQGSU-BHYGNILZSA-N 1 2 356.470 2.734 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3nc(C4CC4)no3)C[C@H]21 ZINC001188866811 1006755392 /nfs/dbraw/zinc/75/53/92/1006755392.db2.gz PFIRDUYEIAQGSU-BHYGNILZSA-N 1 2 356.470 2.734 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nc4c(o3)CCCC4)C[C@H]21 ZINC001188855424 1006772408 /nfs/dbraw/zinc/77/24/08/1006772408.db2.gz FWRBKLSNAVWIIW-FUHWJXTLSA-N 1 2 355.482 2.780 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc4c(o3)CCCC4)C[C@H]21 ZINC001188855424 1006772420 /nfs/dbraw/zinc/77/24/20/1006772420.db2.gz FWRBKLSNAVWIIW-FUHWJXTLSA-N 1 2 355.482 2.780 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccc(F)cc3)C[C@H]21 ZINC001188999084 1006839279 /nfs/dbraw/zinc/83/92/79/1006839279.db2.gz AYLWBZBOXWHOGB-MAUKXSAKSA-N 1 2 359.445 2.653 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccc(F)cc3)C[C@H]21 ZINC001188999084 1006839291 /nfs/dbraw/zinc/83/92/91/1006839291.db2.gz AYLWBZBOXWHOGB-MAUKXSAKSA-N 1 2 359.445 2.653 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nnc(-c4ccco4)o3)C[C@H]21 ZINC001189007744 1006844373 /nfs/dbraw/zinc/84/43/73/1006844373.db2.gz ZYAPNSGKTOAFSQ-LSDHHAIUSA-N 1 2 356.426 2.719 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(-c4ccco4)o3)C[C@H]21 ZINC001189007744 1006844390 /nfs/dbraw/zinc/84/43/90/1006844390.db2.gz ZYAPNSGKTOAFSQ-LSDHHAIUSA-N 1 2 356.426 2.719 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCc2nc(-c3ccsc3)no2)cc1OC ZINC000112969568 1007101167 /nfs/dbraw/zinc/10/11/67/1007101167.db2.gz BEFYPWXANQINCR-UHFFFAOYSA-N 1 2 374.422 2.847 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccncc1Cl ZINC001110423996 1007517937 /nfs/dbraw/zinc/51/79/37/1007517937.db2.gz DVHJURWAVRYCCH-NXHRZFHOSA-N 1 2 363.889 2.939 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccncc1Cl ZINC001110423996 1007517947 /nfs/dbraw/zinc/51/79/47/1007517947.db2.gz DVHJURWAVRYCCH-NXHRZFHOSA-N 1 2 363.889 2.939 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)co1 ZINC001095332180 1007519754 /nfs/dbraw/zinc/51/97/54/1007519754.db2.gz BDEKFSSOIXYSSD-HFTRVMKXSA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)co1 ZINC001095332180 1007519760 /nfs/dbraw/zinc/51/97/60/1007519760.db2.gz BDEKFSSOIXYSSD-HFTRVMKXSA-N 1 2 368.412 2.783 20 30 FFEDLO O=C(CC#Cc1ccccc1)N1CC[C@H]2C[N@H+](Cc3cscn3)C[C@H]21 ZINC001190289660 1007574075 /nfs/dbraw/zinc/57/40/75/1007574075.db2.gz HJJXIUAXARJQMM-PKOBYXMFSA-N 1 2 351.475 2.618 20 30 FFEDLO O=C(CC#Cc1ccccc1)N1CC[C@H]2C[N@@H+](Cc3cscn3)C[C@H]21 ZINC001190289660 1007574082 /nfs/dbraw/zinc/57/40/82/1007574082.db2.gz HJJXIUAXARJQMM-PKOBYXMFSA-N 1 2 351.475 2.618 20 30 FFEDLO C=CCC1(S(=O)(=O)Nc2c[nH+]c3ccc(Br)cn23)CC1 ZINC001190773504 1007777757 /nfs/dbraw/zinc/77/77/57/1007777757.db2.gz ZZJIDQPRHMMVLV-UHFFFAOYSA-N 1 2 356.245 2.947 20 30 FFEDLO CCc1ccc(O[C@H](C)C(=O)N2CC[NH+](CC3(CC#N)CC3)CC2)cc1 ZINC001190996163 1007876751 /nfs/dbraw/zinc/87/67/51/1007876751.db2.gz VMJHSEVOFKRQHC-QGZVFWFLSA-N 1 2 355.482 2.854 20 30 FFEDLO C#Cc1ccccc1C(=O)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001191107627 1007892705 /nfs/dbraw/zinc/89/27/05/1007892705.db2.gz VDNSADMYUVCKKK-UHFFFAOYSA-N 1 2 361.445 2.575 20 30 FFEDLO COc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1Cc1ccccc1 ZINC000819393905 1008113908 /nfs/dbraw/zinc/11/39/08/1008113908.db2.gz MHHWRWSWTFEEBR-HXUWFJFHSA-N 1 2 353.466 2.904 20 30 FFEDLO COc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1Cc1ccccc1 ZINC000819393905 1008113913 /nfs/dbraw/zinc/11/39/13/1008113913.db2.gz MHHWRWSWTFEEBR-HXUWFJFHSA-N 1 2 353.466 2.904 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC000819430222 1008147503 /nfs/dbraw/zinc/14/75/03/1008147503.db2.gz ACPRRUYJPAMFGX-QGZVFWFLSA-N 1 2 374.485 2.602 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC000819430222 1008147508 /nfs/dbraw/zinc/14/75/08/1008147508.db2.gz ACPRRUYJPAMFGX-QGZVFWFLSA-N 1 2 374.485 2.602 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cc2F)C[C@H]1C ZINC001206479769 1032305009 /nfs/dbraw/zinc/30/50/09/1032305009.db2.gz VLWCSUYLNPTHGH-QWQRMKEZSA-N 1 2 352.425 2.883 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)C[C@H]1C ZINC001206479769 1032305022 /nfs/dbraw/zinc/30/50/22/1032305022.db2.gz VLWCSUYLNPTHGH-QWQRMKEZSA-N 1 2 352.425 2.883 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001206489804 1032309272 /nfs/dbraw/zinc/30/92/72/1032309272.db2.gz AGCFBZDQJGJJEV-SOLBZPMBSA-N 1 2 353.470 2.731 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001206489804 1032309283 /nfs/dbraw/zinc/30/92/83/1032309283.db2.gz AGCFBZDQJGJJEV-SOLBZPMBSA-N 1 2 353.470 2.731 20 30 FFEDLO C#CC[C@H]([NH2+]CC1(CCC)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC ZINC000822490284 1008620218 /nfs/dbraw/zinc/62/02/18/1008620218.db2.gz TZUCMEYLTCHDNB-INIZCTEOSA-N 1 2 366.502 2.958 20 30 FFEDLO COc1cc(C)ccc1Oc1ccccc1C[N@H+](C)CC(=O)NCC#N ZINC000886395877 1008666878 /nfs/dbraw/zinc/66/68/78/1008666878.db2.gz PUPOUNZSPYTDOZ-UHFFFAOYSA-N 1 2 353.422 2.868 20 30 FFEDLO COc1cc(C)ccc1Oc1ccccc1C[N@@H+](C)CC(=O)NCC#N ZINC000886395877 1008666887 /nfs/dbraw/zinc/66/68/87/1008666887.db2.gz PUPOUNZSPYTDOZ-UHFFFAOYSA-N 1 2 353.422 2.868 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccc(C)cc3)no2)C[C@H]1C ZINC001206545018 1032338584 /nfs/dbraw/zinc/33/85/84/1032338584.db2.gz OUWORWJWJKDOSA-NVXWUHKLSA-N 1 2 354.454 2.948 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccc(C)cc3)no2)C[C@H]1C ZINC001206545018 1032338593 /nfs/dbraw/zinc/33/85/93/1032338593.db2.gz OUWORWJWJKDOSA-NVXWUHKLSA-N 1 2 354.454 2.948 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCOCC1)C2 ZINC001095368522 1009046684 /nfs/dbraw/zinc/04/66/84/1009046684.db2.gz FYKLMLDGXMUAHN-LDTOTXGLSA-N 1 2 353.466 2.596 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCOCC1)C2 ZINC001095368522 1009046696 /nfs/dbraw/zinc/04/66/96/1009046696.db2.gz FYKLMLDGXMUAHN-LDTOTXGLSA-N 1 2 353.466 2.596 20 30 FFEDLO COc1cc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)ccc1C#N ZINC000823439886 1009063750 /nfs/dbraw/zinc/06/37/50/1009063750.db2.gz WKGTURVUVINZQL-UHFFFAOYSA-N 1 2 351.406 2.651 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2csc(Br)c2)C[C@H]1C ZINC001206662502 1032379348 /nfs/dbraw/zinc/37/93/48/1032379348.db2.gz LZQLGUNZKZQSLW-HOSYDEDBSA-N 1 2 356.289 2.607 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2csc(Br)c2)C[C@H]1C ZINC001206662502 1032379359 /nfs/dbraw/zinc/37/93/59/1032379359.db2.gz LZQLGUNZKZQSLW-HOSYDEDBSA-N 1 2 356.289 2.607 20 30 FFEDLO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001206662550 1032379680 /nfs/dbraw/zinc/37/96/80/1032379680.db2.gz NUGBIQNGRAZPAH-JFIYKMOQSA-N 1 2 370.497 2.653 20 30 FFEDLO Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001206662550 1032379691 /nfs/dbraw/zinc/37/96/91/1032379691.db2.gz NUGBIQNGRAZPAH-JFIYKMOQSA-N 1 2 370.497 2.653 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001092948890 1009418934 /nfs/dbraw/zinc/41/89/34/1009418934.db2.gz PPOUINZWCKPDEK-PILAGYSTSA-N 1 2 358.486 2.555 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2ccon2)C3)c1 ZINC001110809154 1009589417 /nfs/dbraw/zinc/58/94/17/1009589417.db2.gz WRXSJMSVZOKGHL-QRQLOZEOSA-N 1 2 368.412 2.540 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2ccon2)C3)c1 ZINC001110809154 1009589431 /nfs/dbraw/zinc/58/94/31/1009589431.db2.gz WRXSJMSVZOKGHL-QRQLOZEOSA-N 1 2 368.412 2.540 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000863783195 1010326571 /nfs/dbraw/zinc/32/65/71/1010326571.db2.gz KIEKSMXMLDROIG-GOSISDBHSA-N 1 2 352.438 2.555 20 30 FFEDLO Cc1c(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cnn1CCC#N ZINC000890297933 1010347700 /nfs/dbraw/zinc/34/77/00/1010347700.db2.gz AXIXSCWNLMGRRI-UHFFFAOYSA-N 1 2 366.469 2.658 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cc(C)ccc2C)C[C@H]1C ZINC001206886763 1032479706 /nfs/dbraw/zinc/47/97/06/1032479706.db2.gz GVYWBAFAHLPYCQ-UYAOXDASSA-N 1 2 369.509 2.872 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cc(C)ccc2C)C[C@H]1C ZINC001206886763 1032479710 /nfs/dbraw/zinc/47/97/10/1032479710.db2.gz GVYWBAFAHLPYCQ-UYAOXDASSA-N 1 2 369.509 2.872 20 30 FFEDLO CC(C)(C)c1nnc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)[nH]1 ZINC001202769243 1010468677 /nfs/dbraw/zinc/46/86/77/1010468677.db2.gz SHYPWMXEWYSYBH-UHFFFAOYSA-N 1 2 364.457 2.564 20 30 FFEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1=S ZINC000794710092 1010555036 /nfs/dbraw/zinc/55/50/36/1010555036.db2.gz ISLBQZLRLDETEA-LJQANCHMSA-N 1 2 371.510 2.730 20 30 FFEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c1=S ZINC000794710092 1010555045 /nfs/dbraw/zinc/55/50/45/1010555045.db2.gz ISLBQZLRLDETEA-LJQANCHMSA-N 1 2 371.510 2.730 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2csc(CCCC)n2)C[C@H]1C ZINC001206918340 1032498965 /nfs/dbraw/zinc/49/89/65/1032498965.db2.gz WCNNJDURGUAPJW-OGWOLHLISA-N 1 2 365.543 2.749 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2csc(CCCC)n2)C[C@H]1C ZINC001206918340 1032498970 /nfs/dbraw/zinc/49/89/70/1032498970.db2.gz WCNNJDURGUAPJW-OGWOLHLISA-N 1 2 365.543 2.749 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2F)C[C@H]1C ZINC001206915875 1032496641 /nfs/dbraw/zinc/49/66/41/1032496641.db2.gz NGCKUXGHUAFJCW-CDHAZOANSA-N 1 2 354.853 2.743 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2F)C[C@H]1C ZINC001206915875 1032496644 /nfs/dbraw/zinc/49/66/44/1032496644.db2.gz NGCKUXGHUAFJCW-CDHAZOANSA-N 1 2 354.853 2.743 20 30 FFEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C1 ZINC001206939672 1032513991 /nfs/dbraw/zinc/51/39/91/1032513991.db2.gz OXBYUWZYXARRPN-GUDVDZBRSA-N 1 2 369.509 2.726 20 30 FFEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C1 ZINC001206939672 1032513994 /nfs/dbraw/zinc/51/39/94/1032513994.db2.gz OXBYUWZYXARRPN-GUDVDZBRSA-N 1 2 369.509 2.726 20 30 FFEDLO C[C@H]([NH2+]CCCN1c2ccccc2OCC1=O)c1cccc(C#N)c1O ZINC000866301592 1010973092 /nfs/dbraw/zinc/97/30/92/1010973092.db2.gz OZEKPYYTCHYXDF-AWEZNQCLSA-N 1 2 351.406 2.730 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1csnn1)CC2 ZINC001094433679 1011117939 /nfs/dbraw/zinc/11/79/39/1011117939.db2.gz XNKKTGVFGCWOJN-IEBWSBKVSA-N 1 2 371.510 2.700 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1csnn1)CC2 ZINC001094433679 1011117941 /nfs/dbraw/zinc/11/79/41/1011117941.db2.gz XNKKTGVFGCWOJN-IEBWSBKVSA-N 1 2 371.510 2.700 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C1CCC1 ZINC001110869024 1011286601 /nfs/dbraw/zinc/28/66/01/1011286601.db2.gz ZQXLTIRKKJOXRK-ZRNYENFQSA-N 1 2 353.466 2.595 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C1CCC1 ZINC001110869024 1011286616 /nfs/dbraw/zinc/28/66/16/1011286616.db2.gz ZQXLTIRKKJOXRK-ZRNYENFQSA-N 1 2 353.466 2.595 20 30 FFEDLO Cc1ncsc1C[NH+]1CC2(CN(C(=O)CC3(C#N)CCCCC3)C2)C1 ZINC001274677685 1011582821 /nfs/dbraw/zinc/58/28/21/1011582821.db2.gz VTFSVJLUJJFJJF-UHFFFAOYSA-N 1 2 358.511 2.960 20 30 FFEDLO C[NH+]1CCN(c2ccc(-c3noc(-c4cccc(C#N)c4O)n3)cc2)CC1 ZINC001216979741 1032577877 /nfs/dbraw/zinc/57/78/77/1032577877.db2.gz HSMZJIWMTDTBCP-UHFFFAOYSA-N 1 2 361.405 2.733 20 30 FFEDLO COC(=O)[C@H](Cc1ccc(Br)cn1)[NH2+][C@H](C)CCCC#N ZINC001172491191 1011847674 /nfs/dbraw/zinc/84/76/74/1011847674.db2.gz MCBAAGNPNWXGBN-RISCZKNCSA-N 1 2 354.248 2.600 20 30 FFEDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988615 1012157320 /nfs/dbraw/zinc/15/73/20/1012157320.db2.gz CBSJMSBDDFYILL-ZNMIVQPWSA-N 1 2 367.490 2.940 20 30 FFEDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988615 1012157326 /nfs/dbraw/zinc/15/73/26/1012157326.db2.gz CBSJMSBDDFYILL-ZNMIVQPWSA-N 1 2 367.490 2.940 20 30 FFEDLO COc1cccc([C@@H]2CN(C(=O)[C@H](C)Oc3ccccc3C#N)CC[NH2+]2)c1 ZINC000870147388 1012201309 /nfs/dbraw/zinc/20/13/09/1012201309.db2.gz CIJXPNYSSFYIMO-KXBFYZLASA-N 1 2 365.433 2.507 20 30 FFEDLO C[C@H]([NH2+]Cc1ccncc1C#N)c1cc(F)ccc1N1CCC(O)CC1 ZINC000828155474 1032611092 /nfs/dbraw/zinc/61/10/92/1032611092.db2.gz NSEIRPJOKPBRTO-AWEZNQCLSA-N 1 2 354.429 2.904 20 30 FFEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c[nH]nc1C(F)(F)F ZINC001275437662 1012461202 /nfs/dbraw/zinc/46/12/02/1012461202.db2.gz HZODNSXDDAKRJL-MRXNPFEDSA-N 1 2 369.391 2.689 20 30 FFEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c[nH]nc1C(F)(F)F ZINC001275437662 1012461211 /nfs/dbraw/zinc/46/12/11/1012461211.db2.gz HZODNSXDDAKRJL-MRXNPFEDSA-N 1 2 369.391 2.689 20 30 FFEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c[nH]nc1C(F)(F)F ZINC001275437659 1012462650 /nfs/dbraw/zinc/46/26/50/1012462650.db2.gz HZODNSXDDAKRJL-INIZCTEOSA-N 1 2 369.391 2.689 20 30 FFEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c[nH]nc1C(F)(F)F ZINC001275437659 1012462661 /nfs/dbraw/zinc/46/26/61/1012462661.db2.gz HZODNSXDDAKRJL-INIZCTEOSA-N 1 2 369.391 2.689 20 30 FFEDLO C=CC[C@H]([NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)OC ZINC001173414463 1012543178 /nfs/dbraw/zinc/54/31/78/1012543178.db2.gz RQJFLOAYHMSWQN-INIZCTEOSA-N 1 2 350.846 2.652 20 30 FFEDLO N#CCCCN1C[C@@]2(F)C[N@@H+](CC3CCC(F)(F)CC3)C[C@@]2(F)C1=O ZINC001275536317 1012588223 /nfs/dbraw/zinc/58/82/23/1012588223.db2.gz JSJOXDZGNNLXAY-DOTOQJQBSA-N 1 2 361.383 2.690 20 30 FFEDLO N#CCCCN1C[C@@]2(F)C[N@H+](CC3CCC(F)(F)CC3)C[C@@]2(F)C1=O ZINC001275536317 1012588235 /nfs/dbraw/zinc/58/82/35/1012588235.db2.gz JSJOXDZGNNLXAY-DOTOQJQBSA-N 1 2 361.383 2.690 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cnc(Cl)c(C)c1)C2 ZINC001275637088 1012741112 /nfs/dbraw/zinc/74/11/12/1012741112.db2.gz PDMCQKXREDMQAV-LJQANCHMSA-N 1 2 363.889 2.670 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cnc(Cl)c(C)c1)C2 ZINC001275637088 1012741127 /nfs/dbraw/zinc/74/11/27/1012741127.db2.gz PDMCQKXREDMQAV-LJQANCHMSA-N 1 2 363.889 2.670 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(F)cc1F)C2 ZINC001275663119 1012792446 /nfs/dbraw/zinc/79/24/46/1012792446.db2.gz RGHLOXLZDBBRPQ-LJQANCHMSA-N 1 2 350.409 2.592 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(F)cc1F)C2 ZINC001275663119 1012792465 /nfs/dbraw/zinc/79/24/65/1012792465.db2.gz RGHLOXLZDBBRPQ-LJQANCHMSA-N 1 2 350.409 2.592 20 30 FFEDLO CCc1ocnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095255919 1012967405 /nfs/dbraw/zinc/96/74/05/1012967405.db2.gz DDYUYKQSBVNFKG-IKGGRYGDSA-N 1 2 350.422 2.644 20 30 FFEDLO CCc1ocnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095255919 1012967413 /nfs/dbraw/zinc/96/74/13/1012967413.db2.gz DDYUYKQSBVNFKG-IKGGRYGDSA-N 1 2 350.422 2.644 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)o1 ZINC001095266994 1013022633 /nfs/dbraw/zinc/02/26/33/1013022633.db2.gz PYDGPPGQNHFMKE-NJAFHUGGSA-N 1 2 368.412 2.838 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)o1 ZINC001095266994 1013022652 /nfs/dbraw/zinc/02/26/52/1013022652.db2.gz PYDGPPGQNHFMKE-NJAFHUGGSA-N 1 2 368.412 2.838 20 30 FFEDLO C=CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccn(C)n3)C[C@H]21)c1ccccc1 ZINC001222037262 1032681881 /nfs/dbraw/zinc/68/18/81/1032681881.db2.gz YKLORNMMIYNFNM-HMXCVIKNSA-N 1 2 364.493 2.813 20 30 FFEDLO C=CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccn(C)n3)C[C@H]21)c1ccccc1 ZINC001222037262 1032681893 /nfs/dbraw/zinc/68/18/93/1032681893.db2.gz YKLORNMMIYNFNM-HMXCVIKNSA-N 1 2 364.493 2.813 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001055234277 1017189482 /nfs/dbraw/zinc/18/94/82/1017189482.db2.gz QTGFBTMATUNLDL-IKGGRYGDSA-N 1 2 365.481 2.875 20 30 FFEDLO CCC[C@@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110887445 1017201688 /nfs/dbraw/zinc/20/16/88/1017201688.db2.gz LHWRZEZHVVFZMV-OQIJWPOYSA-N 1 2 359.445 2.734 20 30 FFEDLO CCC[C@@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110887445 1017201693 /nfs/dbraw/zinc/20/16/93/1017201693.db2.gz LHWRZEZHVVFZMV-OQIJWPOYSA-N 1 2 359.445 2.734 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001051162662 1017244561 /nfs/dbraw/zinc/24/45/61/1017244561.db2.gz JVSNLOYXGFDRBF-WBVHZDCISA-N 1 2 353.470 2.787 20 30 FFEDLO C=CCC1(O)CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC1 ZINC000924428917 1017286610 /nfs/dbraw/zinc/28/66/10/1017286610.db2.gz VLIUZLMYUZHGIK-UHFFFAOYSA-N 1 2 354.454 2.538 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncn1C ZINC001097357088 1017389885 /nfs/dbraw/zinc/38/98/85/1017389885.db2.gz IYCKGRBCPJUNKH-LZQZEXGQSA-N 1 2 366.465 2.520 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncn1C ZINC001097357088 1017389894 /nfs/dbraw/zinc/38/98/94/1017389894.db2.gz IYCKGRBCPJUNKH-LZQZEXGQSA-N 1 2 366.465 2.520 20 30 FFEDLO CC(C)n1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)c1 ZINC001097581761 1017663693 /nfs/dbraw/zinc/66/36/93/1017663693.db2.gz NPCQUGMMKYRZOC-QBIMZIAESA-N 1 2 369.494 2.932 20 30 FFEDLO CC(C)n1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)c1 ZINC001097581761 1017663700 /nfs/dbraw/zinc/66/37/00/1017663700.db2.gz NPCQUGMMKYRZOC-QBIMZIAESA-N 1 2 369.494 2.932 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(OC)ccn2)cc1 ZINC001097626326 1017722629 /nfs/dbraw/zinc/72/26/29/1017722629.db2.gz ZZFJVWIFDVUBOO-NRSPTQNISA-N 1 2 361.445 2.607 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(OC)ccn2)cc1 ZINC001097626326 1017722637 /nfs/dbraw/zinc/72/26/37/1017722637.db2.gz ZZFJVWIFDVUBOO-NRSPTQNISA-N 1 2 361.445 2.607 20 30 FFEDLO Cc1nc(NC[C@]23CCC[C@H]2CN(C(=O)[C@H](C)C#N)C3)c2c([nH+]1)CCCC2 ZINC001055643385 1017806489 /nfs/dbraw/zinc/80/64/89/1017806489.db2.gz AUAWSAYEJYKOHN-ZJTDPSCFSA-N 1 2 367.497 2.864 20 30 FFEDLO Cc1nc(NC[C@]23CCC[C@H]2CN(C(=O)[C@@H](C)C#N)C3)c2c([nH+]1)CCCC2 ZINC001055643384 1017806973 /nfs/dbraw/zinc/80/69/73/1017806973.db2.gz AUAWSAYEJYKOHN-HTZUNMPGSA-N 1 2 367.497 2.864 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3nonc3c1)C2 ZINC001097772005 1017932751 /nfs/dbraw/zinc/93/27/51/1017932751.db2.gz VTAJVRFQLTVCGA-AHRSYUTCSA-N 1 2 373.416 2.630 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3nonc3c1)C2 ZINC001097772005 1017932760 /nfs/dbraw/zinc/93/27/60/1017932760.db2.gz VTAJVRFQLTVCGA-AHRSYUTCSA-N 1 2 373.416 2.630 20 30 FFEDLO C/C=C(\C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cccc(F)c2C#N)C1 ZINC001052731504 1018071291 /nfs/dbraw/zinc/07/12/91/1018071291.db2.gz CIHKDVVLHRYIKU-GXMTXOGDSA-N 1 2 367.428 2.804 20 30 FFEDLO Cc1ncc(CO)c(C=Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c1O ZINC000749105556 1018104972 /nfs/dbraw/zinc/10/49/72/1018104972.db2.gz VEEGOPCZNGFSEG-UHFFFAOYSA-N 1 2 374.872 2.744 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001053198921 1018210586 /nfs/dbraw/zinc/21/05/86/1018210586.db2.gz AOGQRMZWQMSVDB-XEKGUZQTSA-N 1 2 372.513 2.572 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001057962894 1018216293 /nfs/dbraw/zinc/21/62/93/1018216293.db2.gz VSDBBTNENPZYNT-HKUYNNGSSA-N 1 2 370.497 2.729 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927100598 1018364792 /nfs/dbraw/zinc/36/47/92/1018364792.db2.gz ZLPOPZKFBUVUDY-OAHLLOKOSA-N 1 2 350.422 2.824 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCO[C@H]1c1ccccc1)O2 ZINC001053677863 1018414401 /nfs/dbraw/zinc/41/44/01/1018414401.db2.gz CIBUHTMWBMLTDK-ZCNNSNEGSA-N 1 2 370.493 2.690 20 30 FFEDLO CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)ccc1OC ZINC000827662779 1018604451 /nfs/dbraw/zinc/60/44/51/1018604451.db2.gz UYRQKUSDWAXJAO-BZUAXINKSA-N 1 2 368.437 2.530 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000682078816 1018684329 /nfs/dbraw/zinc/68/43/29/1018684329.db2.gz MFMOCEAPEJHMOC-OAQYLSRUSA-N 1 2 360.498 2.877 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001110933123 1018706401 /nfs/dbraw/zinc/70/64/01/1018706401.db2.gz GTAPNCUMUUURGD-AXUOBQJMSA-N 1 2 373.541 2.615 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001110933123 1018706408 /nfs/dbraw/zinc/70/64/08/1018706408.db2.gz GTAPNCUMUUURGD-AXUOBQJMSA-N 1 2 373.541 2.615 20 30 FFEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000928636596 1019047582 /nfs/dbraw/zinc/04/75/82/1019047582.db2.gz SATROWZKXUCSKI-IBGZPJMESA-N 1 2 355.482 2.597 20 30 FFEDLO Cc1cc(N[C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)nc(C2CC2)[nH+]1 ZINC001047264521 1019072324 /nfs/dbraw/zinc/07/23/24/1019072324.db2.gz XUSUOZQVDMABLU-DZGCQCFKSA-N 1 2 364.453 2.873 20 30 FFEDLO CC(C)(C)Oc1cccc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)n1 ZINC000801553408 1019105843 /nfs/dbraw/zinc/10/58/43/1019105843.db2.gz PEDVJPMRSQAJDL-UHFFFAOYSA-N 1 2 351.454 2.848 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCC(Nc2ccc(C#N)cn2)CC1 ZINC001067917329 1019194142 /nfs/dbraw/zinc/19/41/42/1019194142.db2.gz HLRNQVWTWPWUPC-BHUNQDJPSA-N 1 2 364.453 2.662 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCC(Nc2ccc(C#N)cn2)CC1 ZINC001067917329 1019194146 /nfs/dbraw/zinc/19/41/46/1019194146.db2.gz HLRNQVWTWPWUPC-BHUNQDJPSA-N 1 2 364.453 2.662 20 30 FFEDLO CCC(=CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21)CC ZINC001217642965 1032818271 /nfs/dbraw/zinc/81/82/71/1032818271.db2.gz CSQYWOMOUIDOFB-LEWJYISDSA-N 1 2 352.478 2.696 20 30 FFEDLO CCC(=CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21)CC ZINC001217642965 1032818283 /nfs/dbraw/zinc/81/82/83/1032818283.db2.gz CSQYWOMOUIDOFB-LEWJYISDSA-N 1 2 352.478 2.696 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cccc(OC)c1 ZINC001110966711 1019382587 /nfs/dbraw/zinc/38/25/87/1019382587.db2.gz CDELJKSCXKYDJD-QRQLOZEOSA-N 1 2 371.481 2.712 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cccc(OC)c1 ZINC001110966711 1019382602 /nfs/dbraw/zinc/38/26/02/1019382602.db2.gz CDELJKSCXKYDJD-QRQLOZEOSA-N 1 2 371.481 2.712 20 30 FFEDLO CCCc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc(=O)[nH]1 ZINC000929363185 1019388108 /nfs/dbraw/zinc/38/81/08/1019388108.db2.gz NBUJFVPBALAZBX-UHFFFAOYSA-N 1 2 364.449 2.569 20 30 FFEDLO CC#CCCCC(=O)NC1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001069449458 1019470967 /nfs/dbraw/zinc/47/09/67/1019470967.db2.gz ZQNSUWVZKMNXGP-IAGOWNOFSA-N 1 2 370.497 2.594 20 30 FFEDLO CC#CCCCC(=O)NC1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001069449458 1019470978 /nfs/dbraw/zinc/47/09/78/1019470978.db2.gz ZQNSUWVZKMNXGP-IAGOWNOFSA-N 1 2 370.497 2.594 20 30 FFEDLO C=CC(C)(C)C(=O)N1CCC(CC)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001069517377 1019484973 /nfs/dbraw/zinc/48/49/73/1019484973.db2.gz YBAGKRICMFRZQL-HUUCEWRRSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CC(C)(C)C(=O)N1CCC(CC)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001069517377 1019484995 /nfs/dbraw/zinc/48/49/95/1019484995.db2.gz YBAGKRICMFRZQL-HUUCEWRRSA-N 1 2 358.486 2.613 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC(Nc2ncc(C#N)cc2Cl)C1 ZINC001069801653 1019613366 /nfs/dbraw/zinc/61/33/66/1019613366.db2.gz QWXVSWPHIJWQDQ-NWINJMCUSA-N 1 2 370.844 2.535 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC(Nc2ncc(C#N)cc2Cl)C1 ZINC001069801653 1019613375 /nfs/dbraw/zinc/61/33/75/1019613375.db2.gz QWXVSWPHIJWQDQ-NWINJMCUSA-N 1 2 370.844 2.535 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(C(F)F)c1)C2 ZINC001098108573 1019758379 /nfs/dbraw/zinc/75/83/79/1019758379.db2.gz XOEFRAXXOFVADW-ZACQAIPSSA-N 1 2 371.391 2.685 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(C(F)F)c1)C2 ZINC001098108573 1019758388 /nfs/dbraw/zinc/75/83/88/1019758388.db2.gz XOEFRAXXOFVADW-ZACQAIPSSA-N 1 2 371.391 2.685 20 30 FFEDLO CC[C@@H](C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001217737320 1032854572 /nfs/dbraw/zinc/85/45/72/1032854572.db2.gz URQNFMYEWTXSKT-MDASCCDHSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H](C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001217737320 1032854586 /nfs/dbraw/zinc/85/45/86/1032854586.db2.gz URQNFMYEWTXSKT-MDASCCDHSA-N 1 2 359.445 2.545 20 30 FFEDLO CC(=O)CCCC(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@H]2C1 ZINC001222266869 1032859811 /nfs/dbraw/zinc/85/98/11/1032859811.db2.gz ZUDZWKJEKOKLQY-XLIONFOSSA-N 1 2 371.456 2.879 20 30 FFEDLO CC(=O)CCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@H]2C1 ZINC001222266869 1032859826 /nfs/dbraw/zinc/85/98/26/1032859826.db2.gz ZUDZWKJEKOKLQY-XLIONFOSSA-N 1 2 371.456 2.879 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)C(C)C ZINC001110983301 1019939514 /nfs/dbraw/zinc/93/95/14/1019939514.db2.gz MUKBCZAXOXXNQJ-YSTOQKLRSA-N 1 2 358.457 2.570 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)C(C)C ZINC001110983301 1019939524 /nfs/dbraw/zinc/93/95/24/1019939524.db2.gz MUKBCZAXOXXNQJ-YSTOQKLRSA-N 1 2 358.457 2.570 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1ccco1 ZINC001110984233 1019945697 /nfs/dbraw/zinc/94/56/97/1019945697.db2.gz ATMARXCMVHRTIA-OCQZMCQHSA-N 1 2 373.497 2.562 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1ccco1 ZINC001110984233 1019945700 /nfs/dbraw/zinc/94/57/00/1019945700.db2.gz ATMARXCMVHRTIA-OCQZMCQHSA-N 1 2 373.497 2.562 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cnn(CC2CC2)c1 ZINC001096298056 1019953751 /nfs/dbraw/zinc/95/37/51/1019953751.db2.gz MIMBWUAPDOHNKK-FSSWDIPSSA-N 1 2 374.488 2.680 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cnn(CC2CC2)c1 ZINC001096298056 1019953755 /nfs/dbraw/zinc/95/37/55/1019953755.db2.gz MIMBWUAPDOHNKK-FSSWDIPSSA-N 1 2 374.488 2.680 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)CC)CCC1 ZINC001110987349 1019999834 /nfs/dbraw/zinc/99/98/34/1019999834.db2.gz OIJAZKJPISJVJH-ZACQAIPSSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)CC)CCC1 ZINC001110987349 1019999846 /nfs/dbraw/zinc/99/98/46/1019999846.db2.gz OIJAZKJPISJVJH-ZACQAIPSSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(OC)nc1C ZINC001110989018 1020019871 /nfs/dbraw/zinc/01/98/71/1020019871.db2.gz CYRCNPORCWYBQX-PDOICOKGSA-N 1 2 358.486 2.617 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(OC)nc1C ZINC001110989018 1020019880 /nfs/dbraw/zinc/01/98/80/1020019880.db2.gz CYRCNPORCWYBQX-PDOICOKGSA-N 1 2 358.486 2.617 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2Nc2cc[nH+]c(C)n2)cc1 ZINC001045784538 1020134208 /nfs/dbraw/zinc/13/42/08/1020134208.db2.gz JCCOUNCVIAXPQM-RTBURBONSA-N 1 2 364.449 2.950 20 30 FFEDLO C[C@H](CC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC001048364247 1020162130 /nfs/dbraw/zinc/16/21/30/1020162130.db2.gz VTVFXICFPRZEHZ-NUJGCVRESA-N 1 2 366.469 2.840 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CCCc3cccs3)n2CC(=C)C)CC1 ZINC000802565481 1020227053 /nfs/dbraw/zinc/22/70/53/1020227053.db2.gz XPNGIUANDBPOKY-UHFFFAOYSA-N 1 2 369.538 2.846 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(=C)C)CC1 ZINC000802586313 1020240080 /nfs/dbraw/zinc/24/00/80/1020240080.db2.gz ZQISZOCYEJNNTB-UHFFFAOYSA-N 1 2 374.492 2.612 20 30 FFEDLO CC1(C)C(=O)N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)[C@@H]1c1ccccc1 ZINC000902599767 1020330483 /nfs/dbraw/zinc/33/04/83/1020330483.db2.gz JMBURPWGESOLDV-GOSISDBHSA-N 1 2 354.450 2.891 20 30 FFEDLO C#CC1(O)CC[NH+]([C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000931147209 1020347617 /nfs/dbraw/zinc/34/76/17/1020347617.db2.gz WRVGRQYGXWHYSB-ZDUSSCGKSA-N 1 2 373.453 2.736 20 30 FFEDLO C#CCCCCCC(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001073124081 1020379918 /nfs/dbraw/zinc/37/99/18/1020379918.db2.gz WCVPWXSRZPBHFW-IAGOWNOFSA-N 1 2 370.497 2.594 20 30 FFEDLO C#CCCCCCC(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001073124081 1020379924 /nfs/dbraw/zinc/37/99/24/1020379924.db2.gz WCVPWXSRZPBHFW-IAGOWNOFSA-N 1 2 370.497 2.594 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1CN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001490913682 1020534756 /nfs/dbraw/zinc/53/47/56/1020534756.db2.gz XFHDKNDLMMMURT-PXNSSMCTSA-N 1 2 358.486 2.517 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001490914415 1020571043 /nfs/dbraw/zinc/57/10/43/1020571043.db2.gz NEECBEZDJIDECW-UWJYYQICSA-N 1 2 370.497 2.517 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cscn1 ZINC001074015618 1020624561 /nfs/dbraw/zinc/62/45/61/1020624561.db2.gz HCTFGRTWZFRNDK-KURKYZTESA-N 1 2 363.527 2.937 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cscn1 ZINC001074015618 1020624563 /nfs/dbraw/zinc/62/45/63/1020624563.db2.gz HCTFGRTWZFRNDK-KURKYZTESA-N 1 2 363.527 2.937 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3ccn(C)n3)C2)c(C#N)c1C ZINC000932136299 1020715472 /nfs/dbraw/zinc/71/54/72/1020715472.db2.gz ZHXUQKKTFYHHNK-ZFWWWQNUSA-N 1 2 355.442 2.708 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3ccn(C)n3)C2)c(C#N)c1C ZINC000932136299 1020715481 /nfs/dbraw/zinc/71/54/81/1020715481.db2.gz ZHXUQKKTFYHHNK-ZFWWWQNUSA-N 1 2 355.442 2.708 20 30 FFEDLO C[C@@H]([NH2+][C@@H](c1ncccn1)C1CC1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000932357681 1020779513 /nfs/dbraw/zinc/77/95/13/1020779513.db2.gz DYDZVNMTSOVHOI-KLRDNXEFSA-N 1 2 355.486 2.837 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc3nsnc31)C2 ZINC001098533703 1020989397 /nfs/dbraw/zinc/98/93/97/1020989397.db2.gz WIDKRRJMBFPBOG-YUELXQCFSA-N 1 2 362.886 2.708 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc3nsnc31)C2 ZINC001098533703 1020989402 /nfs/dbraw/zinc/98/94/02/1020989402.db2.gz WIDKRRJMBFPBOG-YUELXQCFSA-N 1 2 362.886 2.708 20 30 FFEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)nc1-c1ccccn1 ZINC000749795977 1021036386 /nfs/dbraw/zinc/03/63/86/1021036386.db2.gz DSTRPNLKBPIKMM-JKSUJKDBSA-N 1 2 371.510 2.978 20 30 FFEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)nc1-c1ccccn1 ZINC000749795977 1021036387 /nfs/dbraw/zinc/03/63/87/1021036387.db2.gz DSTRPNLKBPIKMM-JKSUJKDBSA-N 1 2 371.510 2.978 20 30 FFEDLO Cc1cccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c1 ZINC000933623571 1021051321 /nfs/dbraw/zinc/05/13/21/1021051321.db2.gz CSQAKKVBWVCFBD-CTNGQTDRSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1cccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c1 ZINC000933623571 1021051329 /nfs/dbraw/zinc/05/13/29/1021051329.db2.gz CSQAKKVBWVCFBD-CTNGQTDRSA-N 1 2 352.434 2.680 20 30 FFEDLO CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(CC2)CC(=O)C=CO3)cc1 ZINC000933650306 1021059137 /nfs/dbraw/zinc/05/91/37/1021059137.db2.gz NBNFCVNSIGNQEQ-OAHLLOKOSA-N 1 2 358.438 2.750 20 30 FFEDLO COc1ccc(CN(C)C(=O)C[N@H+](C)Cc2cc(C#N)cs2)cc1OC ZINC000933775186 1021087970 /nfs/dbraw/zinc/08/79/70/1021087970.db2.gz DTVAOYUYRKDULZ-UHFFFAOYSA-N 1 2 373.478 2.727 20 30 FFEDLO COc1ccc(CN(C)C(=O)C[N@@H+](C)Cc2cc(C#N)cs2)cc1OC ZINC000933775186 1021087974 /nfs/dbraw/zinc/08/79/74/1021087974.db2.gz DTVAOYUYRKDULZ-UHFFFAOYSA-N 1 2 373.478 2.727 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cncc(F)c2)C1 ZINC001098784020 1021142866 /nfs/dbraw/zinc/14/28/66/1021142866.db2.gz DZCTVCWWMYKLKU-BBRMVZONSA-N 1 2 368.250 2.714 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cncc(F)c2)C1 ZINC001098784020 1021142870 /nfs/dbraw/zinc/14/28/70/1021142870.db2.gz DZCTVCWWMYKLKU-BBRMVZONSA-N 1 2 368.250 2.714 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NCc1ccco1 ZINC001111072604 1021193752 /nfs/dbraw/zinc/19/37/52/1021193752.db2.gz OGXGPHUDZFMXST-IDCNUPLLSA-N 1 2 373.497 2.608 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NCc1ccco1 ZINC001111072604 1021193756 /nfs/dbraw/zinc/19/37/56/1021193756.db2.gz OGXGPHUDZFMXST-IDCNUPLLSA-N 1 2 373.497 2.608 20 30 FFEDLO C=C(C)CCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cn(C(C)C)nc3C)C[C@@H]21 ZINC001218041603 1032967245 /nfs/dbraw/zinc/96/72/45/1032967245.db2.gz WYHBXGDTPGHXQH-RBUKOAKNSA-N 1 2 360.502 2.540 20 30 FFEDLO C=C(C)CCC(=O)N1CCO[C@@H]2C[N@H+](Cc3cn(C(C)C)nc3C)C[C@@H]21 ZINC001218041603 1032967253 /nfs/dbraw/zinc/96/72/53/1032967253.db2.gz WYHBXGDTPGHXQH-RBUKOAKNSA-N 1 2 360.502 2.540 20 30 FFEDLO C=CC[C@H]1CC[N@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000934470750 1021251673 /nfs/dbraw/zinc/25/16/73/1021251673.db2.gz QMYIOXUNMBGABQ-SWLSCSKDSA-N 1 2 367.371 2.943 20 30 FFEDLO C=CC[C@H]1CC[N@@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000934470750 1021251681 /nfs/dbraw/zinc/25/16/81/1021251681.db2.gz QMYIOXUNMBGABQ-SWLSCSKDSA-N 1 2 367.371 2.943 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)C1 ZINC001116540007 1021272554 /nfs/dbraw/zinc/27/25/54/1021272554.db2.gz JHKYSAAZRYDLTK-GOSISDBHSA-N 1 2 354.454 2.705 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)C1 ZINC001116540007 1021272563 /nfs/dbraw/zinc/27/25/63/1021272563.db2.gz JHKYSAAZRYDLTK-GOSISDBHSA-N 1 2 354.454 2.705 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1nc(C)no1)C2 ZINC001098876638 1021293302 /nfs/dbraw/zinc/29/33/02/1021293302.db2.gz QAIZPZXKVUFTFM-IIMJZQEZSA-N 1 2 369.469 2.711 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1nc(C)no1)C2 ZINC001098876638 1021293312 /nfs/dbraw/zinc/29/33/12/1021293312.db2.gz QAIZPZXKVUFTFM-IIMJZQEZSA-N 1 2 369.469 2.711 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2nccs2)C3)cc1 ZINC001098969634 1021504041 /nfs/dbraw/zinc/50/40/41/1021504041.db2.gz QVGYYUOYDWLXCO-PXNSSMCTSA-N 1 2 351.475 2.909 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2nccs2)C3)cc1 ZINC001098969634 1021504053 /nfs/dbraw/zinc/50/40/53/1021504053.db2.gz QVGYYUOYDWLXCO-PXNSSMCTSA-N 1 2 351.475 2.909 20 30 FFEDLO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000935923947 1021935693 /nfs/dbraw/zinc/93/56/93/1021935693.db2.gz HPYWPVLRXWWCRV-GDBMZVCRSA-N 1 2 362.474 2.564 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(=O)CC1CCCC1)C2 ZINC001111147046 1022095793 /nfs/dbraw/zinc/09/57/93/1022095793.db2.gz MDTHFWUGQCSQCI-DZUCGIPZSA-N 1 2 367.921 2.545 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(=O)CC1CCCC1)C2 ZINC001111147046 1022095814 /nfs/dbraw/zinc/09/58/14/1022095814.db2.gz MDTHFWUGQCSQCI-DZUCGIPZSA-N 1 2 367.921 2.545 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001099290141 1022232843 /nfs/dbraw/zinc/23/28/43/1022232843.db2.gz OAFNMIUFYYSYCE-HUUCEWRRSA-N 1 2 370.419 2.520 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3cccnc31)C2 ZINC001095933068 1022338090 /nfs/dbraw/zinc/33/80/90/1022338090.db2.gz UFLJHVMMNJAXKL-CGXNFDGLSA-N 1 2 372.472 2.905 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3cccnc31)C2 ZINC001095933068 1022338103 /nfs/dbraw/zinc/33/81/03/1022338103.db2.gz UFLJHVMMNJAXKL-CGXNFDGLSA-N 1 2 372.472 2.905 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C4CCC4)no3)[C@H]2C1 ZINC001222556526 1033048895 /nfs/dbraw/zinc/04/88/95/1033048895.db2.gz KKHPKHIXOCRJRN-AEFFLSMTSA-N 1 2 370.497 2.954 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C4CCC4)no3)[C@H]2C1 ZINC001222556526 1033048904 /nfs/dbraw/zinc/04/89/04/1033048904.db2.gz KKHPKHIXOCRJRN-AEFFLSMTSA-N 1 2 370.497 2.954 20 30 FFEDLO NC(=[NH+]OCC(=O)N[C@H](c1ccccc1)C1CC1)c1ccc2c(c1)CCO2 ZINC000158171329 1022485195 /nfs/dbraw/zinc/48/51/95/1022485195.db2.gz CORGKYMOTNLMCQ-HXUWFJFHSA-N 1 2 365.433 2.526 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CC[N@H+](Cc3cnc(Cl)s3)[C@H]2C1 ZINC001222603398 1033065288 /nfs/dbraw/zinc/06/52/88/1033065288.db2.gz NTAZEMBVJOYPKB-HACGYAERSA-N 1 2 369.918 2.546 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3cnc(Cl)s3)[C@H]2C1 ZINC001222603398 1033065306 /nfs/dbraw/zinc/06/53/06/1033065306.db2.gz NTAZEMBVJOYPKB-HACGYAERSA-N 1 2 369.918 2.546 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2ccncc2)cc1F ZINC001038273413 1022648635 /nfs/dbraw/zinc/64/86/35/1022648635.db2.gz OFTRYBYFHXAMJF-GBESFXJTSA-N 1 2 364.424 2.587 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2ccncc2)cc1F ZINC001038273413 1022648637 /nfs/dbraw/zinc/64/86/37/1022648637.db2.gz OFTRYBYFHXAMJF-GBESFXJTSA-N 1 2 364.424 2.587 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cc(-c2ccccc2)no1 ZINC001038713894 1022681820 /nfs/dbraw/zinc/68/18/20/1022681820.db2.gz GMCKEEHOMDJCAL-POAQFYNOSA-N 1 2 367.449 2.623 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cc(-c2ccccc2)no1 ZINC001038713894 1022681824 /nfs/dbraw/zinc/68/18/24/1022681824.db2.gz GMCKEEHOMDJCAL-POAQFYNOSA-N 1 2 367.449 2.623 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C(C)(C)C)no3)[C@H]2C1 ZINC001222614102 1033077137 /nfs/dbraw/zinc/07/71/37/1033077137.db2.gz YGAJBKSZERELIB-CVEARBPZSA-N 1 2 358.486 2.593 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C(C)(C)C)no3)[C@H]2C1 ZINC001222614102 1033077143 /nfs/dbraw/zinc/07/71/43/1033077143.db2.gz YGAJBKSZERELIB-CVEARBPZSA-N 1 2 358.486 2.593 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1c(C)noc1CC ZINC001038800768 1022715461 /nfs/dbraw/zinc/71/54/61/1022715461.db2.gz UZEQAXBJWHEMEV-BXWFABGCSA-N 1 2 361.486 2.607 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1c(C)noc1CC ZINC001038800768 1022715474 /nfs/dbraw/zinc/71/54/74/1022715474.db2.gz UZEQAXBJWHEMEV-BXWFABGCSA-N 1 2 361.486 2.607 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(CCCC)no3)[C@H]2C1 ZINC001222614127 1033076395 /nfs/dbraw/zinc/07/63/95/1033076395.db2.gz ZNWNMSKPNFEGQM-SJORKVTESA-N 1 2 358.486 2.639 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(CCCC)no3)[C@H]2C1 ZINC001222614127 1033076410 /nfs/dbraw/zinc/07/64/10/1033076410.db2.gz ZNWNMSKPNFEGQM-SJORKVTESA-N 1 2 358.486 2.639 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccn1 ZINC001039943143 1022795686 /nfs/dbraw/zinc/79/56/86/1022795686.db2.gz MISQKAJGFWIDGV-YRPNKDGESA-N 1 2 355.482 2.628 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccn1 ZINC001039943143 1022795700 /nfs/dbraw/zinc/79/57/00/1022795700.db2.gz MISQKAJGFWIDGV-YRPNKDGESA-N 1 2 355.482 2.628 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@H]1CCSC1 ZINC001122442153 1023271792 /nfs/dbraw/zinc/27/17/92/1023271792.db2.gz YFPFLEQHHPWMTF-KRWDZBQOSA-N 1 2 374.558 2.889 20 30 FFEDLO C[C@@H](ON=C(N)c1cccc(C[NH+]2CCOCC2)c1)c1cccc(C#N)c1 ZINC000190091691 1023401292 /nfs/dbraw/zinc/40/12/92/1023401292.db2.gz HGKGDTRYPAFSRA-MRXNPFEDSA-N 1 2 364.449 2.789 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc([C@@]3(C)C[C@@H](O)C[N@@H+]3C)n2CC(C)C)C1 ZINC001122738781 1023440735 /nfs/dbraw/zinc/44/07/35/1023440735.db2.gz GGSAQQXXTDURNC-MBOZVWFJSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc([C@@]3(C)C[C@@H](O)C[N@H+]3C)n2CC(C)C)C1 ZINC001122738781 1023440739 /nfs/dbraw/zinc/44/07/39/1023440739.db2.gz GGSAQQXXTDURNC-MBOZVWFJSA-N 1 2 361.534 2.638 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2C[C@H]2CCCCO2)C1 ZINC001123149612 1023657357 /nfs/dbraw/zinc/65/73/57/1023657357.db2.gz URJTXNKBMDLKGK-RBUKOAKNSA-N 1 2 371.529 2.683 20 30 FFEDLO C[C@H](CC#N)N(C)c1nnc(C[NH+]2CCCCC2)n1C[C@H]1CCCCO1 ZINC001123203187 1023684237 /nfs/dbraw/zinc/68/42/37/1023684237.db2.gz NKYZPGWSHSONFU-IAGOWNOFSA-N 1 2 360.506 2.571 20 30 FFEDLO C[C@@H](CC#N)N(C)c1nnc(C[NH+]2CCCCC2)n1C[C@H]1CCCCO1 ZINC001123203186 1023684386 /nfs/dbraw/zinc/68/43/86/1023684386.db2.gz NKYZPGWSHSONFU-DLBZAZTESA-N 1 2 360.506 2.571 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@H](C)[C@H](F)C1 ZINC001121493098 1023808659 /nfs/dbraw/zinc/80/86/59/1023808659.db2.gz UKGRRTQUCXUBDI-HZMVEIRTSA-N 1 2 363.481 2.574 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@H](C)[C@H](F)C1 ZINC001121493098 1023808664 /nfs/dbraw/zinc/80/86/64/1023808664.db2.gz UKGRRTQUCXUBDI-HZMVEIRTSA-N 1 2 363.481 2.574 20 30 FFEDLO C=CCN(CC=C)c1nnc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC1CC1 ZINC001123622493 1023906046 /nfs/dbraw/zinc/90/60/46/1023906046.db2.gz SOXNGFQVHOEKPF-MSOLQXFVSA-N 1 2 357.502 2.792 20 30 FFEDLO C=CCN(CC=C)c1nnc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC1CC1 ZINC001123622493 1023906052 /nfs/dbraw/zinc/90/60/52/1023906052.db2.gz SOXNGFQVHOEKPF-MSOLQXFVSA-N 1 2 357.502 2.792 20 30 FFEDLO C=CCN(CC=C)c1nnc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC1CC1 ZINC001123622499 1023906425 /nfs/dbraw/zinc/90/64/25/1023906425.db2.gz SOXNGFQVHOEKPF-ZWKOTPCHSA-N 1 2 357.502 2.792 20 30 FFEDLO C=CCN(CC=C)c1nnc([C@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC1CC1 ZINC001123622499 1023906430 /nfs/dbraw/zinc/90/64/30/1023906430.db2.gz SOXNGFQVHOEKPF-ZWKOTPCHSA-N 1 2 357.502 2.792 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000078695674 1023926786 /nfs/dbraw/zinc/92/67/86/1023926786.db2.gz QIKFUMJOOIXYRA-KGLIPLIRSA-N 1 2 353.422 2.698 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](Cc3noc(-c4ccoc4)n3)C[C@@]2(C)C1 ZINC001101254687 1024211592 /nfs/dbraw/zinc/21/15/92/1024211592.db2.gz YSTWJOYHSXDLKL-UZLBHIALSA-N 1 2 370.453 2.966 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3noc(-c4ccoc4)n3)C[C@@]2(C)C1 ZINC001101254687 1024211598 /nfs/dbraw/zinc/21/15/98/1024211598.db2.gz YSTWJOYHSXDLKL-UZLBHIALSA-N 1 2 370.453 2.966 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001101325143 1024455153 /nfs/dbraw/zinc/45/51/53/1024455153.db2.gz IEWICSYTMJLZAI-NQIIRXRSSA-N 1 2 371.529 2.723 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001101325143 1024455158 /nfs/dbraw/zinc/45/51/58/1024455158.db2.gz IEWICSYTMJLZAI-NQIIRXRSSA-N 1 2 371.529 2.723 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101347143 1024511332 /nfs/dbraw/zinc/51/13/32/1024511332.db2.gz YTMJWXGADYCYNA-QRWLVFNGSA-N 1 2 359.518 2.739 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101347143 1024511344 /nfs/dbraw/zinc/51/13/44/1024511344.db2.gz YTMJWXGADYCYNA-QRWLVFNGSA-N 1 2 359.518 2.739 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C)n4CC)C[C@@]3(C)C2)CCC1 ZINC001101354260 1024531387 /nfs/dbraw/zinc/53/13/87/1024531387.db2.gz XZFUKZJTCDDRAG-XLIONFOSSA-N 1 2 371.529 2.633 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C)n4CC)C[C@@]3(C)C2)CCC1 ZINC001101354260 1024531393 /nfs/dbraw/zinc/53/13/93/1024531393.db2.gz XZFUKZJTCDDRAG-XLIONFOSSA-N 1 2 371.529 2.633 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001101378376 1024586775 /nfs/dbraw/zinc/58/67/75/1024586775.db2.gz XLTCLABJZVRADX-UZLBHIALSA-N 1 2 359.518 2.742 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001101378376 1024586789 /nfs/dbraw/zinc/58/67/89/1024586789.db2.gz XLTCLABJZVRADX-UZLBHIALSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC000951785292 1024702472 /nfs/dbraw/zinc/70/24/72/1024702472.db2.gz HQYBTOKLVFEXID-HOJAQTOUSA-N 1 2 358.457 2.937 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)CN(C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101486953 1024870607 /nfs/dbraw/zinc/87/06/07/1024870607.db2.gz HAYMQZFPCPXEBE-QUCCMNQESA-N 1 2 361.917 2.651 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)CN(C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101486953 1024870618 /nfs/dbraw/zinc/87/06/18/1024870618.db2.gz HAYMQZFPCPXEBE-QUCCMNQESA-N 1 2 361.917 2.651 20 30 FFEDLO C[C@@H](ON=C(N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(C#N)cc1 ZINC000194667561 1024875515 /nfs/dbraw/zinc/87/55/15/1024875515.db2.gz LXORBGPXVQZZSB-UZLBHIALSA-N 1 2 364.449 2.809 20 30 FFEDLO C[C@@H](ON=C(N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(C#N)cc1 ZINC000194667561 1024875526 /nfs/dbraw/zinc/87/55/26/1024875526.db2.gz LXORBGPXVQZZSB-UZLBHIALSA-N 1 2 364.449 2.809 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ncc(Cl)nc3Cl)C2)C1=O ZINC001141134355 1025497145 /nfs/dbraw/zinc/49/71/45/1025497145.db2.gz YMABMEYQCKFGGA-INIZCTEOSA-N 1 2 355.269 2.784 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+](Cc3ncc(Cl)nc3Cl)C2)C1=O ZINC001141134355 1025497150 /nfs/dbraw/zinc/49/71/50/1025497150.db2.gz YMABMEYQCKFGGA-INIZCTEOSA-N 1 2 355.269 2.784 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141142875 1025515224 /nfs/dbraw/zinc/51/52/24/1025515224.db2.gz FAQXQDVBPUYVFX-IBGZPJMESA-N 1 2 368.481 2.551 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141142875 1025515231 /nfs/dbraw/zinc/51/52/31/1025515231.db2.gz FAQXQDVBPUYVFX-IBGZPJMESA-N 1 2 368.481 2.551 20 30 FFEDLO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001141163866 1025547568 /nfs/dbraw/zinc/54/75/68/1025547568.db2.gz BIKCRSIQLIKQAK-QGZVFWFLSA-N 1 2 363.433 2.765 20 30 FFEDLO C[N@H+](Cc1ccc(F)cc1C#N)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001141163866 1025547575 /nfs/dbraw/zinc/54/75/75/1025547575.db2.gz BIKCRSIQLIKQAK-QGZVFWFLSA-N 1 2 363.433 2.765 20 30 FFEDLO N#Cc1cc(F)ccc1C[NH+]1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1 ZINC001141165134 1025549898 /nfs/dbraw/zinc/54/98/98/1025549898.db2.gz VBICVRLPCQCDDV-LJQANCHMSA-N 1 2 364.424 2.731 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ncn(-c3ccccc3)n2)C[C@H]1C ZINC001102229760 1025613939 /nfs/dbraw/zinc/61/39/39/1025613939.db2.gz AUZVTDOJVYQARJ-IAGOWNOFSA-N 1 2 367.497 2.664 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ncn(-c3ccccc3)n2)C[C@H]1C ZINC001102229760 1025613940 /nfs/dbraw/zinc/61/39/40/1025613940.db2.gz AUZVTDOJVYQARJ-IAGOWNOFSA-N 1 2 367.497 2.664 20 30 FFEDLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1cccc(C#CCO)c1 ZINC001141369235 1026050592 /nfs/dbraw/zinc/05/05/92/1026050592.db2.gz DLWXDJXLVPQXKZ-UHFFFAOYSA-N 1 2 365.820 2.800 20 30 FFEDLO C=CCO[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001102610275 1026425255 /nfs/dbraw/zinc/42/52/55/1026425255.db2.gz ZAMWWEHECLLUTE-FRRDWIJNSA-N 1 2 357.907 2.572 20 30 FFEDLO C=CCO[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001102610275 1026425259 /nfs/dbraw/zinc/42/52/59/1026425259.db2.gz ZAMWWEHECLLUTE-FRRDWIJNSA-N 1 2 357.907 2.572 20 30 FFEDLO C#CCCCC(=O)NCC[C@@H]1C[N@H+](Cc2noc(CC(C)C)n2)C[C@H]1C ZINC001102918444 1026782628 /nfs/dbraw/zinc/78/26/28/1026782628.db2.gz KRHHLCXELIUALE-IAGOWNOFSA-N 1 2 360.502 2.646 20 30 FFEDLO C#CCCCC(=O)NCC[C@@H]1C[N@@H+](Cc2noc(CC(C)C)n2)C[C@H]1C ZINC001102918444 1026782637 /nfs/dbraw/zinc/78/26/37/1026782637.db2.gz KRHHLCXELIUALE-IAGOWNOFSA-N 1 2 360.502 2.646 20 30 FFEDLO C=C1CCC(C(=O)N2CCC(C)(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC000956412151 1026853822 /nfs/dbraw/zinc/85/38/22/1026853822.db2.gz HPQASWURCYUAMP-IAGOWNOFSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CCC(C(=O)N2CCC(C)(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC000956412151 1026853827 /nfs/dbraw/zinc/85/38/27/1026853827.db2.gz HPQASWURCYUAMP-IAGOWNOFSA-N 1 2 370.497 2.757 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)[C@H](C2CC2)[C@H]1C1CC1 ZINC000839979855 1026893982 /nfs/dbraw/zinc/89/39/82/1026893982.db2.gz HKUOEBFTCRNGMT-WOJBJXKFSA-N 1 2 353.466 2.611 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)[C@H](C2CC2)[C@H]1C1CC1 ZINC000839979855 1026893988 /nfs/dbraw/zinc/89/39/88/1026893988.db2.gz HKUOEBFTCRNGMT-WOJBJXKFSA-N 1 2 353.466 2.611 20 30 FFEDLO C=CCn1c(C)nn(C[N@H+]2C[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)c1=S ZINC000840157344 1026989804 /nfs/dbraw/zinc/98/98/04/1026989804.db2.gz YHHRPZUIDBJNQI-IAGOWNOFSA-N 1 2 372.494 2.755 20 30 FFEDLO C=CCn1c(C)nn(C[N@@H+]2C[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)c1=S ZINC000840157344 1026989807 /nfs/dbraw/zinc/98/98/07/1026989807.db2.gz YHHRPZUIDBJNQI-IAGOWNOFSA-N 1 2 372.494 2.755 20 30 FFEDLO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3C#N)CC[C@H]21 ZINC001141818581 1027010578 /nfs/dbraw/zinc/01/05/78/1027010578.db2.gz KSRGHQKXKGKAFU-CZUORRHYSA-N 1 2 362.271 2.763 20 30 FFEDLO CN1C(=O)CC[C@@H]2C[N@H+](Cc3ccc(Br)cc3C#N)CC[C@H]21 ZINC001141818581 1027010587 /nfs/dbraw/zinc/01/05/87/1027010587.db2.gz KSRGHQKXKGKAFU-CZUORRHYSA-N 1 2 362.271 2.763 20 30 FFEDLO CN(C(=O)C#Cc1ccc(C(F)(F)F)cc1)C(C)(C)C[NH+]1CCOCC1 ZINC000840567665 1027120635 /nfs/dbraw/zinc/12/06/35/1027120635.db2.gz ASAKSLHGHAJKGP-UHFFFAOYSA-N 1 2 368.399 2.626 20 30 FFEDLO CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)Nc1cccc(F)c1C#N ZINC001103314367 1027207826 /nfs/dbraw/zinc/20/78/26/1027207826.db2.gz PBKWFWHKOVPQAG-MGPQQGTHSA-N 1 2 355.417 2.541 20 30 FFEDLO CSC[C@@H]1CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000795601511 1027220669 /nfs/dbraw/zinc/22/06/69/1027220669.db2.gz TYVILSXAYHQAFN-UKRRQHHQSA-N 1 2 370.478 2.587 20 30 FFEDLO CSC[C@@H]1CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000795601511 1027220679 /nfs/dbraw/zinc/22/06/79/1027220679.db2.gz TYVILSXAYHQAFN-UKRRQHHQSA-N 1 2 370.478 2.587 20 30 FFEDLO Cc1ccc(NC(=O)OC(C)(C)C)c(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000840757205 1027239866 /nfs/dbraw/zinc/23/98/66/1027239866.db2.gz IOLWWJUQDUFOSU-OAHLLOKOSA-N 1 2 363.458 2.927 20 30 FFEDLO Cc1ccc(NC(=O)OC(C)(C)C)c(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000840757205 1027239877 /nfs/dbraw/zinc/23/98/77/1027239877.db2.gz IOLWWJUQDUFOSU-OAHLLOKOSA-N 1 2 363.458 2.927 20 30 FFEDLO N#C[C@H](c1ccc(NC2CN(c3cccc[nH+]3)C2)nn1)c1ccccc1F ZINC001161320691 1028130202 /nfs/dbraw/zinc/13/02/02/1028130202.db2.gz NVDSVECXTMXHBX-INIZCTEOSA-N 1 2 360.396 2.967 20 30 FFEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001154404183 1028283448 /nfs/dbraw/zinc/28/34/48/1028283448.db2.gz WHFDEUTZVGHMIS-YUELXQCFSA-N 1 2 359.308 2.537 20 30 FFEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001154404183 1028283461 /nfs/dbraw/zinc/28/34/61/1028283461.db2.gz WHFDEUTZVGHMIS-YUELXQCFSA-N 1 2 359.308 2.537 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2cnc3cc(Br)ccc3c2)CC1 ZINC001154442766 1028304188 /nfs/dbraw/zinc/30/41/88/1028304188.db2.gz UHUKLXDNYSWNAF-UHFFFAOYSA-N 1 2 360.255 2.941 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000957594392 1028383023 /nfs/dbraw/zinc/38/30/23/1028383023.db2.gz QDABBLOITRAXAG-HUUCEWRRSA-N 1 2 354.454 2.513 20 30 FFEDLO CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000796157949 1028619633 /nfs/dbraw/zinc/61/96/33/1028619633.db2.gz MYJIBAYPBBNEMQ-SFHVURJKSA-N 1 2 372.469 2.878 20 30 FFEDLO CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000796157949 1028619638 /nfs/dbraw/zinc/61/96/38/1028619638.db2.gz MYJIBAYPBBNEMQ-SFHVURJKSA-N 1 2 372.469 2.878 20 30 FFEDLO N#Cc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)nc1 ZINC000780652097 1028759874 /nfs/dbraw/zinc/75/98/74/1028759874.db2.gz VFWCKLZNLKQPBX-UXHICEINSA-N 1 2 372.432 2.878 20 30 FFEDLO Cc1nnc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)s1 ZINC001111741836 1029307647 /nfs/dbraw/zinc/30/76/47/1029307647.db2.gz RHTVMFVJKVBQOD-RFUYNDQBSA-N 1 2 360.527 2.928 20 30 FFEDLO Cc1nnc([C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)s1 ZINC001111741836 1029307658 /nfs/dbraw/zinc/30/76/58/1029307658.db2.gz RHTVMFVJKVBQOD-RFUYNDQBSA-N 1 2 360.527 2.928 20 30 FFEDLO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1NCc1cc[nH+]c(N)c1 ZINC001156756650 1029334212 /nfs/dbraw/zinc/33/42/12/1029334212.db2.gz CBGUKCHMKGMDMY-UHFFFAOYSA-N 1 2 354.486 2.686 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)n1C1CC1)C2 ZINC001111761641 1029371020 /nfs/dbraw/zinc/37/10/20/1029371020.db2.gz FDQWZFAVUHNMNB-KKSFZXQISA-N 1 2 371.529 2.994 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)n1C1CC1)C2 ZINC001111761641 1029371035 /nfs/dbraw/zinc/37/10/35/1029371035.db2.gz FDQWZFAVUHNMNB-KKSFZXQISA-N 1 2 371.529 2.994 20 30 FFEDLO CC(C)c1[nH]cc(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)[nH+]1 ZINC001157125609 1029476344 /nfs/dbraw/zinc/47/63/44/1029476344.db2.gz WVNYJSGHWXUODG-AWEZNQCLSA-N 1 2 355.417 2.687 20 30 FFEDLO CC(C)c1[nH]c(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c[nH+]1 ZINC001157125609 1029476354 /nfs/dbraw/zinc/47/63/54/1029476354.db2.gz WVNYJSGHWXUODG-AWEZNQCLSA-N 1 2 355.417 2.687 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1C(C)C)C2 ZINC001111834431 1029584740 /nfs/dbraw/zinc/58/47/40/1029584740.db2.gz UADINLLGECEDQI-RXVVDRJESA-N 1 2 371.529 2.913 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1C(C)C)C2 ZINC001111834431 1029584742 /nfs/dbraw/zinc/58/47/42/1029584742.db2.gz UADINLLGECEDQI-RXVVDRJESA-N 1 2 371.529 2.913 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(C(C)(C)C)nn1)C2 ZINC001111846168 1029609030 /nfs/dbraw/zinc/60/90/30/1029609030.db2.gz SXZXFZWMIKAUQJ-UWJYYQICSA-N 1 2 371.529 2.697 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(C(C)(C)C)nn1)C2 ZINC001111846168 1029609036 /nfs/dbraw/zinc/60/90/36/1029609036.db2.gz SXZXFZWMIKAUQJ-UWJYYQICSA-N 1 2 371.529 2.697 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc3n1CCCC3)C2 ZINC001111848739 1029612550 /nfs/dbraw/zinc/61/25/50/1029612550.db2.gz RJADHVSBKNMUQU-WWMYMODYSA-N 1 2 371.529 2.687 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc3n1CCCC3)C2 ZINC001111848739 1029612556 /nfs/dbraw/zinc/61/25/56/1029612556.db2.gz RJADHVSBKNMUQU-WWMYMODYSA-N 1 2 371.529 2.687 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C3CC3)n1C)C2 ZINC001111850143 1029614573 /nfs/dbraw/zinc/61/45/73/1029614573.db2.gz DBUQSDUEAVUCAE-KUDFPVQQSA-N 1 2 371.529 2.766 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C3CC3)n1C)C2 ZINC001111850143 1029614580 /nfs/dbraw/zinc/61/45/80/1029614580.db2.gz DBUQSDUEAVUCAE-KUDFPVQQSA-N 1 2 371.529 2.766 20 30 FFEDLO N#Cc1ccc(-c2nnc(CO[NH+]=C(N)Cc3cccc(F)c3)o2)cc1 ZINC000783170543 1029944691 /nfs/dbraw/zinc/94/46/91/1029944691.db2.gz CWJHAWINSNUKGO-UHFFFAOYSA-N 1 2 351.341 2.989 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nccn2C)C1 ZINC001112108664 1030026518 /nfs/dbraw/zinc/02/65/18/1030026518.db2.gz JFZOWDMDFIVNMV-CHWSQXEVSA-N 1 2 358.408 2.501 20 30 FFEDLO N#Cc1nc(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)ccc1Cl ZINC001165691737 1030085724 /nfs/dbraw/zinc/08/57/24/1030085724.db2.gz PZKKUIDRICQVJP-CQSZACIVSA-N 1 2 357.845 2.866 20 30 FFEDLO Cc1cc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1C#N ZINC000783831307 1030297361 /nfs/dbraw/zinc/29/73/61/1030297361.db2.gz UQUSRLGQZQLEBS-HXUWFJFHSA-N 1 2 350.418 2.811 20 30 FFEDLO Cc1cc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1C#N ZINC000783831307 1030297377 /nfs/dbraw/zinc/29/73/77/1030297377.db2.gz UQUSRLGQZQLEBS-HXUWFJFHSA-N 1 2 350.418 2.811 20 30 FFEDLO CCCCCCCCNC(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000841864683 1030507099 /nfs/dbraw/zinc/50/70/99/1030507099.db2.gz OZXXIYIUNVLPQZ-UHFFFAOYSA-N 1 2 362.522 2.631 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cc(OC)c(O)c(OC)c1)CCC2 ZINC001204124047 1031116403 /nfs/dbraw/zinc/11/64/03/1031116403.db2.gz VBSZUOSZALSPSD-UHFFFAOYSA-N 1 2 373.453 2.714 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cc(OC)c(O)c(OC)c1)CCC2 ZINC001204124047 1031116412 /nfs/dbraw/zinc/11/64/12/1031116412.db2.gz VBSZUOSZALSPSD-UHFFFAOYSA-N 1 2 373.453 2.714 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000797887932 1031238443 /nfs/dbraw/zinc/23/84/43/1031238443.db2.gz PRJVMVXQRJMLSM-UHFFFAOYSA-N 1 2 352.438 2.925 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cnc(C)cc1C(F)(F)F ZINC001276476056 1031411354 /nfs/dbraw/zinc/41/13/54/1031411354.db2.gz JRQMICKSVNASRN-GOSISDBHSA-N 1 2 365.399 2.999 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cnc(C)cc1C(F)(F)F ZINC001276476056 1031411368 /nfs/dbraw/zinc/41/13/68/1031411368.db2.gz JRQMICKSVNASRN-GOSISDBHSA-N 1 2 365.399 2.999 20 30 FFEDLO CCCN1C(=O)CC[C@@H](C(=O)OCC(C)(C)CCC#N)[C@@H]1c1c[nH+]cn1C ZINC000798879130 1031575746 /nfs/dbraw/zinc/57/57/46/1031575746.db2.gz BKXXTXRFDYCLND-CRAIPNDOSA-N 1 2 374.485 2.983 20 30 FFEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000798927734 1031586268 /nfs/dbraw/zinc/58/62/68/1031586268.db2.gz VOOAAWBXGJMCNN-SFHVURJKSA-N 1 2 362.437 2.785 20 30 FFEDLO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001150708833 1031773696 /nfs/dbraw/zinc/77/36/96/1031773696.db2.gz MMHLWOIBCMQJKW-MRXNPFEDSA-N 1 2 374.485 2.798 20 30 FFEDLO C#CC[C@@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000799794150 1031887076 /nfs/dbraw/zinc/88/70/76/1031887076.db2.gz NJAAUSRHHMDJGA-LJQANCHMSA-N 1 2 365.458 2.974 20 30 FFEDLO C=C(C)CN1CCC2(CC[NH+](CC(=O)c3ccc(OC)cc3)CC2)C1=O ZINC001276867701 1033307836 /nfs/dbraw/zinc/30/78/36/1033307836.db2.gz AOLJZWFANHCVPS-UHFFFAOYSA-N 1 2 356.466 2.769 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nc(CC)no4)[C@H]3C2)CCC1 ZINC001223459720 1033453224 /nfs/dbraw/zinc/45/32/24/1033453224.db2.gz PMBSLMAAEOKAPO-CVEARBPZSA-N 1 2 358.486 2.801 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nc(CC)no4)[C@H]3C2)CCC1 ZINC001223459720 1033453229 /nfs/dbraw/zinc/45/32/29/1033453229.db2.gz PMBSLMAAEOKAPO-CVEARBPZSA-N 1 2 358.486 2.801 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2CC[N@@H+](Cc3csc(CC)n3)[C@H]2C1 ZINC001224281121 1033827152 /nfs/dbraw/zinc/82/71/52/1033827152.db2.gz UIRSWIARPADOCP-WBVHZDCISA-N 1 2 363.527 2.721 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2CC[N@H+](Cc3csc(CC)n3)[C@H]2C1 ZINC001224281121 1033827160 /nfs/dbraw/zinc/82/71/60/1033827160.db2.gz UIRSWIARPADOCP-WBVHZDCISA-N 1 2 363.527 2.721 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(C)o4)[C@H]3C2)CCCC1 ZINC001224343506 1033852862 /nfs/dbraw/zinc/85/28/62/1033852862.db2.gz CMILKPHTAPZIGR-SJORKVTESA-N 1 2 358.486 2.937 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc(C)o4)[C@H]3C2)CCCC1 ZINC001224343506 1033852872 /nfs/dbraw/zinc/85/28/72/1033852872.db2.gz CMILKPHTAPZIGR-SJORKVTESA-N 1 2 358.486 2.937 20 30 FFEDLO CCCC[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001220032573 1033949792 /nfs/dbraw/zinc/94/97/92/1033949792.db2.gz YIUGIIBRMQUSTQ-DBVUQKKJSA-N 1 2 357.498 2.826 20 30 FFEDLO CCCC[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001220032573 1033949803 /nfs/dbraw/zinc/94/98/03/1033949803.db2.gz YIUGIIBRMQUSTQ-DBVUQKKJSA-N 1 2 357.498 2.826 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@@H]1O ZINC001220204056 1034046047 /nfs/dbraw/zinc/04/60/47/1034046047.db2.gz ZNDKSOCNKDQRSG-VHSSKADRSA-N 1 2 368.880 2.785 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)C[C@@H]1O ZINC001220204056 1034046062 /nfs/dbraw/zinc/04/60/62/1034046062.db2.gz ZNDKSOCNKDQRSG-VHSSKADRSA-N 1 2 368.880 2.785 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)c(OC)c2)C[C@@H]1O ZINC001220205657 1034046370 /nfs/dbraw/zinc/04/63/70/1034046370.db2.gz IFILERNSUCEDCU-XYPHTWIQSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(OC)c2)C[C@@H]1O ZINC001220205657 1034046375 /nfs/dbraw/zinc/04/63/75/1034046375.db2.gz IFILERNSUCEDCU-XYPHTWIQSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001220247438 1034069438 /nfs/dbraw/zinc/06/94/38/1034069438.db2.gz BJXUEEZOHYNMRF-CVEARBPZSA-N 1 2 356.388 2.723 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001220247438 1034069453 /nfs/dbraw/zinc/06/94/53/1034069453.db2.gz BJXUEEZOHYNMRF-CVEARBPZSA-N 1 2 356.388 2.723 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)CCCCC1 ZINC001220535334 1034244345 /nfs/dbraw/zinc/24/43/45/1034244345.db2.gz XYDSFAZEGHBZKE-RTWAWAEBSA-N 1 2 366.505 2.726 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)CCCCC1 ZINC001220535334 1034244353 /nfs/dbraw/zinc/24/43/53/1034244353.db2.gz XYDSFAZEGHBZKE-RTWAWAEBSA-N 1 2 366.505 2.726 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncsc1Br ZINC001225425944 1034247191 /nfs/dbraw/zinc/24/71/91/1034247191.db2.gz AIKVJSBGGDZKCT-GMTAPVOTSA-N 1 2 371.304 2.582 20 30 FFEDLO CC(C)(C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220576880 1034263520 /nfs/dbraw/zinc/26/35/20/1034263520.db2.gz UVRDWDKHNAQHSC-MSOLQXFVSA-N 1 2 362.901 2.679 20 30 FFEDLO CC(C)(C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220576880 1034263537 /nfs/dbraw/zinc/26/35/37/1034263537.db2.gz UVRDWDKHNAQHSC-MSOLQXFVSA-N 1 2 362.901 2.679 20 30 FFEDLO COCCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(Cl)c(C#N)c2)C1=O ZINC001277083218 1034451255 /nfs/dbraw/zinc/45/12/55/1034451255.db2.gz CHIHCNWCIAQCPR-IBGZPJMESA-N 1 2 361.873 2.815 20 30 FFEDLO COCCCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(Cl)c(C#N)c2)C1=O ZINC001277083218 1034451262 /nfs/dbraw/zinc/45/12/62/1034451262.db2.gz CHIHCNWCIAQCPR-IBGZPJMESA-N 1 2 361.873 2.815 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1O)c1ccccc1 ZINC001221028719 1034506786 /nfs/dbraw/zinc/50/67/86/1034506786.db2.gz AIFBVVIUBVQURG-TYPHKJRUSA-N 1 2 368.452 2.847 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1O)c1ccccc1 ZINC001221028719 1034506798 /nfs/dbraw/zinc/50/67/98/1034506798.db2.gz AIFBVVIUBVQURG-TYPHKJRUSA-N 1 2 368.452 2.847 20 30 FFEDLO C=C(C)COc1ccccc1C[N@@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001138662348 1034520073 /nfs/dbraw/zinc/52/00/73/1034520073.db2.gz VMQJFPJUGUWXGQ-KRWDZBQOSA-N 1 2 356.470 2.999 20 30 FFEDLO C=C(C)COc1ccccc1C[N@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001138662348 1034520100 /nfs/dbraw/zinc/52/01/00/1034520100.db2.gz VMQJFPJUGUWXGQ-KRWDZBQOSA-N 1 2 356.470 2.999 20 30 FFEDLO CCCCc1nc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C#CC(C)(C)C)no1 ZINC001226133619 1034539249 /nfs/dbraw/zinc/53/92/49/1034539249.db2.gz FPXNZFXZBODVLM-HZPDHXFCSA-N 1 2 360.502 2.979 20 30 FFEDLO N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(F)C(F)(F)F ZINC001226366607 1034654876 /nfs/dbraw/zinc/65/48/76/1034654876.db2.gz YHDSJZSNBSPOTB-RBSFLKMASA-N 1 2 357.351 2.976 20 30 FFEDLO N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)C(F)(F)F ZINC001226366607 1034654887 /nfs/dbraw/zinc/65/48/87/1034654887.db2.gz YHDSJZSNBSPOTB-RBSFLKMASA-N 1 2 357.351 2.976 20 30 FFEDLO C#CC(C#C)Oc1cccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001226475586 1034702783 /nfs/dbraw/zinc/70/27/83/1034702783.db2.gz ZFZZGBAYWXPTGC-UHFFFAOYSA-N 1 2 354.450 2.753 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)cc3Cl)C[C@H]21 ZINC001221516256 1034835415 /nfs/dbraw/zinc/83/54/15/1034835415.db2.gz JFJDMMFELLYEHI-BJZITVGISA-N 1 2 366.864 2.839 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)cc3Cl)C[C@H]21 ZINC001221516256 1034835428 /nfs/dbraw/zinc/83/54/28/1034835428.db2.gz JFJDMMFELLYEHI-BJZITVGISA-N 1 2 366.864 2.839 20 30 FFEDLO CC(C)(C)C#CC(=O)N1C[C@H]2CC[N@H+](Cc3cnn(C(C)(C)C)c3)C[C@H]21 ZINC001221537509 1034855285 /nfs/dbraw/zinc/85/52/85/1034855285.db2.gz FAXNEYVZYJPTBZ-QZTJIDSGSA-N 1 2 356.514 2.720 20 30 FFEDLO CC(C)(C)C#CC(=O)N1C[C@H]2CC[N@@H+](Cc3cnn(C(C)(C)C)c3)C[C@H]21 ZINC001221537509 1034855295 /nfs/dbraw/zinc/85/52/95/1034855295.db2.gz FAXNEYVZYJPTBZ-QZTJIDSGSA-N 1 2 356.514 2.720 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(F)c3Cl)C[C@H]21 ZINC001221544057 1034863130 /nfs/dbraw/zinc/86/31/30/1034863130.db2.gz LZEWZMRLQJORBL-JJRVBVJISA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(F)c3Cl)C[C@H]21 ZINC001221544057 1034863139 /nfs/dbraw/zinc/86/31/39/1034863139.db2.gz LZEWZMRLQJORBL-JJRVBVJISA-N 1 2 364.848 2.550 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1C[C@H]2CC[N@H+](Cc3ncc(C)s3)C[C@H]21)OCC ZINC001221586769 1034900164 /nfs/dbraw/zinc/90/01/64/1034900164.db2.gz QWILIXLZZQSPSW-BRWVUGGUSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1C[C@H]2CC[N@@H+](Cc3ncc(C)s3)C[C@H]21)OCC ZINC001221586769 1034900172 /nfs/dbraw/zinc/90/01/72/1034900172.db2.gz QWILIXLZZQSPSW-BRWVUGGUSA-N 1 2 363.527 2.856 20 30 FFEDLO COCCC1(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)CC1 ZINC001221604493 1034910544 /nfs/dbraw/zinc/91/05/44/1034910544.db2.gz AFDLOBSSUAOLLS-UYAOXDASSA-N 1 2 370.468 2.527 20 30 FFEDLO COCCC1(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)CC1 ZINC001221604493 1034910552 /nfs/dbraw/zinc/91/05/52/1034910552.db2.gz AFDLOBSSUAOLLS-UYAOXDASSA-N 1 2 370.468 2.527 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@@H+](CC=C(Cl)Cl)C[C@H]32)CCOCC1 ZINC001221608992 1034915204 /nfs/dbraw/zinc/91/52/04/1034915204.db2.gz USRPZQMRSOAQAR-HUUCEWRRSA-N 1 2 371.308 2.658 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@H+](CC=C(Cl)Cl)C[C@H]32)CCOCC1 ZINC001221608992 1034915209 /nfs/dbraw/zinc/91/52/09/1034915209.db2.gz USRPZQMRSOAQAR-HUUCEWRRSA-N 1 2 371.308 2.658 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)CCCCC)C[C@H]21 ZINC001221782883 1035064341 /nfs/dbraw/zinc/06/43/41/1035064341.db2.gz SDPOEBBWAIHNKP-IPMKNSEASA-N 1 2 363.546 2.960 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@@H](C)CCCCC)C[C@H]21 ZINC001221782883 1035064347 /nfs/dbraw/zinc/06/43/47/1035064347.db2.gz SDPOEBBWAIHNKP-IPMKNSEASA-N 1 2 363.546 2.960 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cccnc4OC)C[C@H]32)CC1 ZINC001221795079 1035075491 /nfs/dbraw/zinc/07/54/91/1035075491.db2.gz ICAVBGZSVHMFEM-SJLPKXTDSA-N 1 2 355.482 2.869 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cccnc4OC)C[C@H]32)CC1 ZINC001221795079 1035075498 /nfs/dbraw/zinc/07/54/98/1035075498.db2.gz ICAVBGZSVHMFEM-SJLPKXTDSA-N 1 2 355.482 2.869 20 30 FFEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1F ZINC001139525791 1035146988 /nfs/dbraw/zinc/14/69/88/1035146988.db2.gz NWPCJYTUWQTBCX-UHFFFAOYSA-N 1 2 353.397 2.744 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCN3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc1C#N ZINC001139723278 1035208340 /nfs/dbraw/zinc/20/83/40/1035208340.db2.gz YOGNCLGVMQXJIC-IBGZPJMESA-N 1 2 370.497 2.604 20 30 FFEDLO Cc1ccc(C[N@H+]2CCN3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc1C#N ZINC001139723278 1035208342 /nfs/dbraw/zinc/20/83/42/1035208342.db2.gz YOGNCLGVMQXJIC-IBGZPJMESA-N 1 2 370.497 2.604 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnc(C)nc1C(F)(F)F ZINC001276402053 1035329047 /nfs/dbraw/zinc/32/90/47/1035329047.db2.gz VJCJUDIAZZPLBO-HUUCEWRRSA-N 1 2 368.403 2.945 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cnc(C)nc1C(F)(F)F ZINC001276402053 1035329054 /nfs/dbraw/zinc/32/90/54/1035329054.db2.gz VJCJUDIAZZPLBO-HUUCEWRRSA-N 1 2 368.403 2.945 20 30 FFEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1n[nH]c3ccc(OC)cc31)C2 ZINC001140067163 1035329745 /nfs/dbraw/zinc/32/97/45/1035329745.db2.gz IYWYOPQIBBRYRL-OXJNMPFZSA-N 1 2 357.454 2.898 20 30 FFEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1n[nH]c3ccc(OC)cc31)C2 ZINC001140067163 1035329747 /nfs/dbraw/zinc/32/97/47/1035329747.db2.gz IYWYOPQIBBRYRL-OXJNMPFZSA-N 1 2 357.454 2.898 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2N)C1 ZINC001140227172 1035389214 /nfs/dbraw/zinc/38/92/14/1035389214.db2.gz OFVOATJINKIIBZ-CQSZACIVSA-N 1 2 368.275 2.908 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2N)C1 ZINC001140227172 1035389220 /nfs/dbraw/zinc/38/92/20/1035389220.db2.gz OFVOATJINKIIBZ-CQSZACIVSA-N 1 2 368.275 2.908 20 30 FFEDLO CSc1ncc(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)c(N)n1 ZINC001140252660 1035400524 /nfs/dbraw/zinc/40/05/24/1035400524.db2.gz WRQJZLAZSAPSQL-HNNXBMFYSA-N 1 2 355.467 2.696 20 30 FFEDLO CSc1ncc(C[N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)c(N)n1 ZINC001140252660 1035400526 /nfs/dbraw/zinc/40/05/26/1035400526.db2.gz WRQJZLAZSAPSQL-HNNXBMFYSA-N 1 2 355.467 2.696 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccncc1C(F)(F)F ZINC001277204463 1035525255 /nfs/dbraw/zinc/52/52/55/1035525255.db2.gz LLDVFCNTMQWXFM-KRWDZBQOSA-N 1 2 351.372 2.691 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccncc1C(F)(F)F ZINC001277204463 1035525258 /nfs/dbraw/zinc/52/52/58/1035525258.db2.gz LLDVFCNTMQWXFM-KRWDZBQOSA-N 1 2 351.372 2.691 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1ccc(C#N)c(F)c1 ZINC001536228665 1069937990 /nfs/dbraw/zinc/93/79/90/1069937990.db2.gz RPIDPONZPKVEKF-UHFFFAOYSA-N 1 2 358.323 2.950 20 30 FFEDLO COc1c(Cl)cnc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1C#N ZINC001227559585 1035609256 /nfs/dbraw/zinc/60/92/56/1035609256.db2.gz NOCPKPKELHBTAF-HNNXBMFYSA-N 1 2 373.840 2.895 20 30 FFEDLO COc1c(Cl)cnc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1C#N ZINC001227559585 1035609267 /nfs/dbraw/zinc/60/92/67/1035609267.db2.gz NOCPKPKELHBTAF-HNNXBMFYSA-N 1 2 373.840 2.895 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(F)c(C(=O)OC)c1F ZINC001277222865 1035623345 /nfs/dbraw/zinc/62/33/45/1035623345.db2.gz OXLDDMASRDERFP-HUUCEWRRSA-N 1 2 364.392 2.503 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(F)c(C(=O)OC)c1F ZINC001277222865 1035623356 /nfs/dbraw/zinc/62/33/56/1035623356.db2.gz OXLDDMASRDERFP-HUUCEWRRSA-N 1 2 364.392 2.503 20 30 FFEDLO COCCN1C(=O)CCC12CC[NH+](Cc1ccc(Cl)cc1C#N)CC2 ZINC001232607711 1035863212 /nfs/dbraw/zinc/86/32/12/1035863212.db2.gz VIIPBAYBHRUICJ-UHFFFAOYSA-N 1 2 361.873 2.815 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)c1 ZINC001232678035 1035935458 /nfs/dbraw/zinc/93/54/58/1035935458.db2.gz UIIVXNUQPBBKMT-IBGZPJMESA-N 1 2 353.447 2.954 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)c1 ZINC001232678035 1035935470 /nfs/dbraw/zinc/93/54/70/1035935470.db2.gz UIIVXNUQPBBKMT-IBGZPJMESA-N 1 2 353.447 2.954 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2Cc3cncn3C[C@@H](COCC3CC3)C2)c1 ZINC001232677344 1035936159 /nfs/dbraw/zinc/93/61/59/1035936159.db2.gz LHUVXSOGSHITHB-KRWDZBQOSA-N 1 2 352.438 2.519 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2Cc3cncn3C[C@@H](COCC3CC3)C2)c1 ZINC001232677344 1035936171 /nfs/dbraw/zinc/93/61/71/1035936171.db2.gz LHUVXSOGSHITHB-KRWDZBQOSA-N 1 2 352.438 2.519 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001228123976 1035948792 /nfs/dbraw/zinc/94/87/92/1035948792.db2.gz VOWOMFZGGMFBQS-BZUAXINKSA-N 1 2 362.522 2.547 20 30 FFEDLO CC(C)(C)NC(=O)CO[C@H]1CCC[N@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140754954 1036064136 /nfs/dbraw/zinc/06/41/36/1036064136.db2.gz PWPJUZLDAAPNFM-AWEZNQCLSA-N 1 2 365.424 2.732 20 30 FFEDLO CC(C)(C)NC(=O)CO[C@H]1CCC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140754954 1036064147 /nfs/dbraw/zinc/06/41/47/1036064147.db2.gz PWPJUZLDAAPNFM-AWEZNQCLSA-N 1 2 365.424 2.732 20 30 FFEDLO N#Cc1cc(C[NH+]2CCC(NC(=O)C3CC3)CC2)ccc1Br ZINC001232895734 1036137540 /nfs/dbraw/zinc/13/75/40/1036137540.db2.gz SBROKGXMYKIFRF-UHFFFAOYSA-N 1 2 362.271 2.811 20 30 FFEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001233043857 1036288672 /nfs/dbraw/zinc/28/86/72/1036288672.db2.gz NJXWKFDCLZVVLV-ICSRJNTNSA-N 1 2 352.438 2.731 20 30 FFEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001233043857 1036288687 /nfs/dbraw/zinc/28/86/87/1036288687.db2.gz NJXWKFDCLZVVLV-ICSRJNTNSA-N 1 2 352.438 2.731 20 30 FFEDLO C=CCN1c2ccccc2[C@]2(CC[N@@H+](Cc3ncc(Cl)cn3)C2)C1=O ZINC001277340039 1036393056 /nfs/dbraw/zinc/39/30/56/1036393056.db2.gz YCSOTNUOPWJHKX-LJQANCHMSA-N 1 2 354.841 2.806 20 30 FFEDLO C=CCN1c2ccccc2[C@]2(CC[N@H+](Cc3ncc(Cl)cn3)C2)C1=O ZINC001277340039 1036393071 /nfs/dbraw/zinc/39/30/71/1036393071.db2.gz YCSOTNUOPWJHKX-LJQANCHMSA-N 1 2 354.841 2.806 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000330136317 1036572580 /nfs/dbraw/zinc/57/25/80/1036572580.db2.gz NFEDJIWFGSSJRN-ONIAQPFYSA-N 1 2 360.502 2.792 20 30 FFEDLO CC(C)COC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2O)Cc2ncn(C)c21 ZINC001233384335 1036582261 /nfs/dbraw/zinc/58/22/61/1036582261.db2.gz ROJIDMQFOPFGJU-KRWDZBQOSA-N 1 2 354.454 2.769 20 30 FFEDLO CC(C)COC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2O)Cc2ncn(C)c21 ZINC001233384335 1036582274 /nfs/dbraw/zinc/58/22/74/1036582274.db2.gz ROJIDMQFOPFGJU-KRWDZBQOSA-N 1 2 354.454 2.769 20 30 FFEDLO C=CCOC[C@H]1c2nnn(CC)c2CCN1Cc1c[nH+]c(CCCC)[nH]1 ZINC001141069128 1036907065 /nfs/dbraw/zinc/90/70/65/1036907065.db2.gz VURPHDPATMREAX-KRWDZBQOSA-N 1 2 358.490 2.666 20 30 FFEDLO C=CCOC[C@H]1c2nnn(CC)c2CCN1Cc1c[nH]c(CCCC)[nH+]1 ZINC001141069128 1036907078 /nfs/dbraw/zinc/90/70/78/1036907078.db2.gz VURPHDPATMREAX-KRWDZBQOSA-N 1 2 358.490 2.666 20 30 FFEDLO C#CCCOc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]2C)cc1 ZINC001206956611 1036983653 /nfs/dbraw/zinc/98/36/53/1036983653.db2.gz POTLDVDMUVOCQO-CRAIPNDOSA-N 1 2 369.490 2.796 20 30 FFEDLO C#CCCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3nccs3)C[C@H]2C)cc1 ZINC001206956611 1036983665 /nfs/dbraw/zinc/98/36/65/1036983665.db2.gz POTLDVDMUVOCQO-CRAIPNDOSA-N 1 2 369.490 2.796 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC(C)(C)CC)C2)c1 ZINC001207125875 1037170351 /nfs/dbraw/zinc/17/03/51/1037170351.db2.gz DOGDQKHJRLNCSP-VQIMIIECSA-N 1 2 369.509 2.869 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC(C)(C)CC)C2)c1 ZINC001207125875 1037170358 /nfs/dbraw/zinc/17/03/58/1037170358.db2.gz DOGDQKHJRLNCSP-VQIMIIECSA-N 1 2 369.509 2.869 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2)C[C@H]1C ZINC001207132349 1037178247 /nfs/dbraw/zinc/17/82/47/1037178247.db2.gz TVJVLHLHVFCYBE-CZUORRHYSA-N 1 2 363.889 2.840 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2)C[C@H]1C ZINC001207132349 1037178257 /nfs/dbraw/zinc/17/82/57/1037178257.db2.gz TVJVLHLHVFCYBE-CZUORRHYSA-N 1 2 363.889 2.840 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2nc(=O)[nH]c3c2SCCC3)C1 ZINC001234905095 1037234084 /nfs/dbraw/zinc/23/40/84/1037234084.db2.gz AHHCYJGXFRXZRQ-HNNXBMFYSA-N 1 2 368.462 2.745 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2CC)C[C@H]1C ZINC001207200819 1037239628 /nfs/dbraw/zinc/23/96/28/1037239628.db2.gz SXZXQNXOBSMYRF-VQIMIIECSA-N 1 2 357.498 2.980 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2CC)C[C@H]1C ZINC001207200819 1037239639 /nfs/dbraw/zinc/23/96/39/1037239639.db2.gz SXZXQNXOBSMYRF-VQIMIIECSA-N 1 2 357.498 2.980 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)C[C@H]1C)OCC ZINC001207263307 1037294201 /nfs/dbraw/zinc/29/42/01/1037294201.db2.gz QSHHLNQEQGRBCB-ZTFGCOKTSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)C[C@H]1C)OCC ZINC001207263307 1037294218 /nfs/dbraw/zinc/29/42/18/1037294218.db2.gz QSHHLNQEQGRBCB-ZTFGCOKTSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C(C)CNC(=O)[C@@H]1CC12CCN(c1nc(N(C)CC)c(C)c[nH+]1)CC2 ZINC001277921500 1037351953 /nfs/dbraw/zinc/35/19/53/1037351953.db2.gz LNGXYXJDESDIGG-INIZCTEOSA-N 1 2 357.502 2.540 20 30 FFEDLO C=C(Cl)C[N@@H+](CCCNC(=O)[C@H]1OCC[C@H]1CC)Cc1cccnc1 ZINC001230780900 1037355916 /nfs/dbraw/zinc/35/59/16/1037355916.db2.gz BVXDLKRMUGMNNS-MSOLQXFVSA-N 1 2 365.905 2.958 20 30 FFEDLO C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1OCC[C@H]1CC)Cc1cccnc1 ZINC001230780900 1037355933 /nfs/dbraw/zinc/35/59/33/1037355933.db2.gz BVXDLKRMUGMNNS-MSOLQXFVSA-N 1 2 365.905 2.958 20 30 FFEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1CCc1cccc(OC)c1 ZINC001207426542 1037432108 /nfs/dbraw/zinc/43/21/08/1037432108.db2.gz DLXHRFWHWQUIRM-IBGZPJMESA-N 1 2 356.470 2.651 20 30 FFEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1CCc1cccc(OC)c1 ZINC001207426542 1037432118 /nfs/dbraw/zinc/43/21/18/1037432118.db2.gz DLXHRFWHWQUIRM-IBGZPJMESA-N 1 2 356.470 2.651 20 30 FFEDLO CCCCCCCCOCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001207559978 1037553409 /nfs/dbraw/zinc/55/34/09/1037553409.db2.gz PDLCADSYKBHPOG-IEBWSBKVSA-N 1 2 364.534 2.734 20 30 FFEDLO CCCCCCCCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001207559978 1037553422 /nfs/dbraw/zinc/55/34/22/1037553422.db2.gz PDLCADSYKBHPOG-IEBWSBKVSA-N 1 2 364.534 2.734 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+]1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001231619565 1037739110 /nfs/dbraw/zinc/73/91/10/1037739110.db2.gz XICYNNHQLKDULA-SFHVURJKSA-N 1 2 366.465 2.822 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+]1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001231619565 1037739128 /nfs/dbraw/zinc/73/91/28/1037739128.db2.gz XICYNNHQLKDULA-SFHVURJKSA-N 1 2 366.465 2.822 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](n2cc(Br)cn2)C1 ZINC001231622196 1037742225 /nfs/dbraw/zinc/74/22/25/1037742225.db2.gz QXOYCKKQOGAGEJ-OAHLLOKOSA-N 1 2 361.243 2.973 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](n2cc(Br)cn2)C1 ZINC001231622196 1037742239 /nfs/dbraw/zinc/74/22/39/1037742239.db2.gz QXOYCKKQOGAGEJ-OAHLLOKOSA-N 1 2 361.243 2.973 20 30 FFEDLO CCOCc1ncn2c1C[N@H+](Cc1ccc(N(C)CCC#N)cc1)CC2 ZINC001231819458 1037929111 /nfs/dbraw/zinc/92/91/11/1037929111.db2.gz NNWHUDIGWNMBBX-UHFFFAOYSA-N 1 2 353.470 2.785 20 30 FFEDLO CCOCc1ncn2c1C[N@@H+](Cc1ccc(N(C)CCC#N)cc1)CC2 ZINC001231819458 1037929123 /nfs/dbraw/zinc/92/91/23/1037929123.db2.gz NNWHUDIGWNMBBX-UHFFFAOYSA-N 1 2 353.470 2.785 20 30 FFEDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C#N)c(Cl)c1 ZINC001277596594 1038084621 /nfs/dbraw/zinc/08/46/21/1038084621.db2.gz HBUZRIRGLOXGSV-JBBXEZCESA-N 1 2 359.857 2.754 20 30 FFEDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C#N)c(Cl)c1 ZINC001277596594 1038084631 /nfs/dbraw/zinc/08/46/31/1038084631.db2.gz HBUZRIRGLOXGSV-JBBXEZCESA-N 1 2 359.857 2.754 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cnc(OCC)c(F)c3)C2)CC1 ZINC001236691397 1038194762 /nfs/dbraw/zinc/19/47/62/1038194762.db2.gz UTGNSPLXWMDYPF-UHFFFAOYSA-N 1 2 363.433 2.840 20 30 FFEDLO C=CC[C@@H]1NC(=O)N([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1=O ZINC001255832356 1038194928 /nfs/dbraw/zinc/19/49/28/1038194928.db2.gz BRRYFWVUHGUPFD-ZBFHGGJFSA-N 1 2 365.836 2.940 20 30 FFEDLO C=CC[C@@H]1NC(=O)N([C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1=O ZINC001255832356 1038194935 /nfs/dbraw/zinc/19/49/35/1038194935.db2.gz BRRYFWVUHGUPFD-ZBFHGGJFSA-N 1 2 365.836 2.940 20 30 FFEDLO CC(C)NC(=O)N1CCC2(C1)CC[NH+](Cc1cc(C#N)ccc1O)CC2 ZINC001278893713 1038225655 /nfs/dbraw/zinc/22/56/55/1038225655.db2.gz HIJWMTCKIUIMNK-UHFFFAOYSA-N 1 2 356.470 2.670 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccco3)no2)C[C@H]1C ZINC001208509047 1038371820 /nfs/dbraw/zinc/37/18/20/1038371820.db2.gz QACGBRJSURWEHK-LPMFXHHGSA-N 1 2 358.442 2.868 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccco3)no2)C[C@H]1C ZINC001208509047 1038371829 /nfs/dbraw/zinc/37/18/29/1038371829.db2.gz QACGBRJSURWEHK-LPMFXHHGSA-N 1 2 358.442 2.868 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](Cc2cncc(-c3ccc(F)cc3)c2)CC1 ZINC001237002476 1038405802 /nfs/dbraw/zinc/40/58/02/1038405802.db2.gz SPNPMDGTNMUAIS-UHFFFAOYSA-N 1 2 374.423 2.872 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](CC2OC=CC2=S)Cc2nnn(CC3CC3)c21 ZINC001237178491 1038465473 /nfs/dbraw/zinc/46/54/73/1038465473.db2.gz WZAVCMMUDJOAKU-CQSZACIVSA-N 1 2 360.483 2.872 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](CC2OC=CC2=S)Cc2nnn(CC3CC3)c21 ZINC001237178491 1038465478 /nfs/dbraw/zinc/46/54/78/1038465478.db2.gz WZAVCMMUDJOAKU-CQSZACIVSA-N 1 2 360.483 2.872 20 30 FFEDLO Cc1cccc(S(=O)(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001256985524 1038670712 /nfs/dbraw/zinc/67/07/12/1038670712.db2.gz XLCTZPXCBOAMRR-UHFFFAOYSA-N 1 2 369.490 2.832 20 30 FFEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C1 ZINC001257180976 1038737502 /nfs/dbraw/zinc/73/75/02/1038737502.db2.gz SPXNJFKLKUUWID-KKUMJFAQSA-N 1 2 374.547 2.862 20 30 FFEDLO C#CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C1)C(=O)OC ZINC001257178792 1038737840 /nfs/dbraw/zinc/73/78/40/1038737840.db2.gz IKOHESCOJDFAED-JYJNAYRXSA-N 1 2 352.475 2.565 20 30 FFEDLO C#CCN1C[C@@]2(F)C[N@@H+](Cc3c(C)c(C)c(C)c(C)c3C)C[C@@]2(F)C1=O ZINC001276629715 1038742274 /nfs/dbraw/zinc/74/22/74/1038742274.db2.gz UZOWRTYWHHFZTQ-LEWJYISDSA-N 1 2 360.448 2.936 20 30 FFEDLO C#CCN1C[C@@]2(F)C[N@H+](Cc3c(C)c(C)c(C)c(C)c3C)C[C@@]2(F)C1=O ZINC001276629715 1038742279 /nfs/dbraw/zinc/74/22/79/1038742279.db2.gz UZOWRTYWHHFZTQ-LEWJYISDSA-N 1 2 360.448 2.936 20 30 FFEDLO CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001257627571 1038906105 /nfs/dbraw/zinc/90/61/05/1038906105.db2.gz RPTVQNAPUBHCFS-VCBZYWHSSA-N 1 2 365.474 2.553 20 30 FFEDLO CCOC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001257627571 1038906117 /nfs/dbraw/zinc/90/61/17/1038906117.db2.gz RPTVQNAPUBHCFS-VCBZYWHSSA-N 1 2 365.474 2.553 20 30 FFEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257789067 1038977610 /nfs/dbraw/zinc/97/76/10/1038977610.db2.gz CWLUSZOAMGBTPM-QWQRMKEZSA-N 1 2 372.531 2.617 20 30 FFEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OC ZINC001257800934 1038983052 /nfs/dbraw/zinc/98/30/52/1038983052.db2.gz QPPFQRBKGKSGDW-GQIGUUNPSA-N 1 2 364.486 2.711 20 30 FFEDLO N#Cc1csc(CNC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)n1 ZINC001251444925 1039134689 /nfs/dbraw/zinc/13/46/89/1039134689.db2.gz QDIBSPSESJGVSR-UHFFFAOYSA-N 1 2 372.841 2.853 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCC[C@H](C#N)C1 ZINC001251503628 1039160282 /nfs/dbraw/zinc/16/02/82/1039160282.db2.gz AVPRSDWWUWNBFW-CEXWTWQISA-N 1 2 373.497 2.719 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCC[C@H](C#N)C1 ZINC001251503628 1039160289 /nfs/dbraw/zinc/16/02/89/1039160289.db2.gz AVPRSDWWUWNBFW-CEXWTWQISA-N 1 2 373.497 2.719 20 30 FFEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](C)Cc1ccccc1OC ZINC001258886385 1039562401 /nfs/dbraw/zinc/56/24/01/1039562401.db2.gz KERCYBFMCZESDL-BEFAXECRSA-N 1 2 352.434 2.872 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COc2cccc(C)c2)C1 ZINC001210982319 1039876180 /nfs/dbraw/zinc/87/61/80/1039876180.db2.gz HBJVRIOUJIXVQA-CZUORRHYSA-N 1 2 367.287 2.719 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COc2cccc(C)c2)C1 ZINC001210982319 1039876200 /nfs/dbraw/zinc/87/62/00/1039876200.db2.gz HBJVRIOUJIXVQA-CZUORRHYSA-N 1 2 367.287 2.719 20 30 FFEDLO N#Cc1cccc2c(C[N@@H+]3C[C@@H]4COC[C@H](C3)N4C3CCCC3)c[nH]c21 ZINC001278691581 1039946676 /nfs/dbraw/zinc/94/66/76/1039946676.db2.gz MJJPXSMYBWDWNP-KDURUIRLSA-N 1 2 350.466 2.867 20 30 FFEDLO N#Cc1cccc2c(C[N@H+]3C[C@@H]4COC[C@H](C3)N4C3CCCC3)c[nH]c21 ZINC001278691581 1039946680 /nfs/dbraw/zinc/94/66/80/1039946680.db2.gz MJJPXSMYBWDWNP-KDURUIRLSA-N 1 2 350.466 2.867 20 30 FFEDLO C=CCCCCCC[C@H](O)C[N@@H+]1CCCn2c(Cn3cccn3)nnc2C1 ZINC001253239732 1040064671 /nfs/dbraw/zinc/06/46/71/1040064671.db2.gz RIJDXOGMYGJPMV-SFHVURJKSA-N 1 2 372.517 2.616 20 30 FFEDLO C=CCCCCCC[C@H](O)C[N@H+]1CCCn2c(Cn3cccn3)nnc2C1 ZINC001253239732 1040064681 /nfs/dbraw/zinc/06/46/81/1040064681.db2.gz RIJDXOGMYGJPMV-SFHVURJKSA-N 1 2 372.517 2.616 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](Cc2csc(CCC)n2)C[C@H]1C ZINC001211420318 1040179660 /nfs/dbraw/zinc/17/96/60/1040179660.db2.gz CXVVZXMATRTJHL-GDBMZVCRSA-N 1 2 351.516 2.625 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2csc(CCC)n2)C[C@H]1C ZINC001211420318 1040179668 /nfs/dbraw/zinc/17/96/68/1040179668.db2.gz CXVVZXMATRTJHL-GDBMZVCRSA-N 1 2 351.516 2.625 20 30 FFEDLO N#Cc1cc(F)cc(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)c1 ZINC001278723636 1040199627 /nfs/dbraw/zinc/19/96/27/1040199627.db2.gz VNWNCNHZMIFMQK-UHFFFAOYSA-N 1 2 355.335 2.940 20 30 FFEDLO N#Cc1cc(F)cc(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)c1 ZINC001278723636 1040199637 /nfs/dbraw/zinc/19/96/37/1040199637.db2.gz VNWNCNHZMIFMQK-UHFFFAOYSA-N 1 2 355.335 2.940 20 30 FFEDLO COCc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C#N)n(C)c2)s1 ZINC001278724770 1040209758 /nfs/dbraw/zinc/20/97/58/1040209758.db2.gz BIEOATVCPUOTSO-CALCHBBNSA-N 1 2 370.522 2.953 20 30 FFEDLO COCc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C#N)n(C)c2)s1 ZINC001278724770 1040209766 /nfs/dbraw/zinc/20/97/66/1040209766.db2.gz BIEOATVCPUOTSO-CALCHBBNSA-N 1 2 370.522 2.953 20 30 FFEDLO C=CCC(CC=C)C(=O)NC[C@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001299622457 1040212073 /nfs/dbraw/zinc/21/20/73/1040212073.db2.gz RAYGSNRSSDTMIL-LZJOCLMNSA-N 1 2 370.497 2.636 20 30 FFEDLO C=CCC(CC=C)C(=O)NC[C@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001299622457 1040212089 /nfs/dbraw/zinc/21/20/89/1040212089.db2.gz RAYGSNRSSDTMIL-LZJOCLMNSA-N 1 2 370.497 2.636 20 30 FFEDLO C#CCOCC[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC001253749866 1040353183 /nfs/dbraw/zinc/35/31/83/1040353183.db2.gz NGYRWJCRVDRPDC-INIZCTEOSA-N 1 2 371.462 2.600 20 30 FFEDLO C#CCOCC[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC001253749866 1040353198 /nfs/dbraw/zinc/35/31/98/1040353198.db2.gz NGYRWJCRVDRPDC-INIZCTEOSA-N 1 2 371.462 2.600 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2OC)C[C@H]1OC ZINC001213380389 1040494160 /nfs/dbraw/zinc/49/41/60/1040494160.db2.gz PSUCYHVERCMFDD-POAQFYNOSA-N 1 2 364.461 2.752 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2OC)C[C@H]1OC ZINC001213380389 1040494169 /nfs/dbraw/zinc/49/41/69/1040494169.db2.gz PSUCYHVERCMFDD-POAQFYNOSA-N 1 2 364.461 2.752 20 30 FFEDLO CCCCC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2OC)CC1 ZINC001213385143 1040498891 /nfs/dbraw/zinc/49/88/91/1040498891.db2.gz FJKPYVDAJARCDQ-WOJBJXKFSA-N 1 2 354.494 2.824 20 30 FFEDLO CCCCC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2OC)CC1 ZINC001213385143 1040498905 /nfs/dbraw/zinc/49/89/05/1040498905.db2.gz FJKPYVDAJARCDQ-WOJBJXKFSA-N 1 2 354.494 2.824 20 30 FFEDLO C[C@@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccc(CC#N)cc2)CC1 ZINC001213540421 1040657307 /nfs/dbraw/zinc/65/73/07/1040657307.db2.gz ZEOTYKVQWMGFKZ-KRWDZBQOSA-N 1 2 369.490 2.820 20 30 FFEDLO COC(=O)[C@H]([NH3+])Cc1cn(C2CCC(C#N)(c3ccc(F)cc3)CC2)cn1 ZINC001254352839 1040682418 /nfs/dbraw/zinc/68/24/18/1040682418.db2.gz GECYCQNOPZSBRW-QPIRBTGLSA-N 1 2 370.428 2.642 20 30 FFEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001213611888 1040718256 /nfs/dbraw/zinc/71/82/56/1040718256.db2.gz PEHIUZZTLYNRKR-GDIGMMSISA-N 1 2 361.461 2.839 20 30 FFEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001213611888 1040718268 /nfs/dbraw/zinc/71/82/68/1040718268.db2.gz PEHIUZZTLYNRKR-GDIGMMSISA-N 1 2 361.461 2.839 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001213624196 1040729867 /nfs/dbraw/zinc/72/98/67/1040729867.db2.gz MQDBVGLWACRGHU-OALUTQOASA-N 1 2 367.474 2.514 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001213624196 1040729877 /nfs/dbraw/zinc/72/98/77/1040729877.db2.gz MQDBVGLWACRGHU-OALUTQOASA-N 1 2 367.474 2.514 20 30 FFEDLO CCC[C@@H](CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213636604 1040748628 /nfs/dbraw/zinc/74/86/28/1040748628.db2.gz RIZNAWJHJWMUSE-ATZDWAIDSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC[C@@H](CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213636604 1040748643 /nfs/dbraw/zinc/74/86/43/1040748643.db2.gz RIZNAWJHJWMUSE-ATZDWAIDSA-N 1 2 361.461 2.839 20 30 FFEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1nc(C(=O)OC)cs1)C2 ZINC001249473009 1040791737 /nfs/dbraw/zinc/79/17/37/1040791737.db2.gz KAZSEZCILIVWMS-CRAIPNDOSA-N 1 2 366.483 2.503 20 30 FFEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1nc(C(=O)OC)cs1)C2 ZINC001249473009 1040791752 /nfs/dbraw/zinc/79/17/52/1040791752.db2.gz KAZSEZCILIVWMS-CRAIPNDOSA-N 1 2 366.483 2.503 20 30 FFEDLO Cn1cc(CN2C[C@@H]3CC[N@H+](Cc4cccc(F)c4F)[C@@H]3C2)cc1C#N ZINC001279205653 1040798949 /nfs/dbraw/zinc/79/89/49/1040798949.db2.gz BYWHRYRXLZMHPB-HNAYVOBHSA-N 1 2 356.420 2.881 20 30 FFEDLO Cn1cc(CN2C[C@@H]3CC[N@@H+](Cc4cccc(F)c4F)[C@@H]3C2)cc1C#N ZINC001279205653 1040798965 /nfs/dbraw/zinc/79/89/65/1040798965.db2.gz BYWHRYRXLZMHPB-HNAYVOBHSA-N 1 2 356.420 2.881 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)CC(C)C ZINC001213695375 1040800773 /nfs/dbraw/zinc/80/07/73/1040800773.db2.gz PIKDEZVUEVCEEQ-WOJBJXKFSA-N 1 2 356.510 2.926 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)CC(C)C ZINC001213695375 1040800797 /nfs/dbraw/zinc/80/07/97/1040800797.db2.gz PIKDEZVUEVCEEQ-WOJBJXKFSA-N 1 2 356.510 2.926 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1OC ZINC001213770776 1040889550 /nfs/dbraw/zinc/88/95/50/1040889550.db2.gz HVVSASDQIXRHCC-RTBURBONSA-N 1 2 362.518 2.851 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1OC ZINC001213770776 1040889559 /nfs/dbraw/zinc/88/95/59/1040889559.db2.gz HVVSASDQIXRHCC-RTBURBONSA-N 1 2 362.518 2.851 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)s3)C[C@H]2OC)CCCC1 ZINC001214001721 1041150963 /nfs/dbraw/zinc/15/09/63/1041150963.db2.gz FHKMOJWOVYEGCM-IAGOWNOFSA-N 1 2 363.527 2.903 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)s3)C[C@H]2OC)CCCC1 ZINC001214001721 1041150968 /nfs/dbraw/zinc/15/09/68/1041150968.db2.gz FHKMOJWOVYEGCM-IAGOWNOFSA-N 1 2 363.527 2.903 20 30 FFEDLO CSc1nc(CN2C[C@@H]3COC[C@H](C2)[N@@H+]3C2CCCC2)ccc1C#N ZINC001278843287 1041165400 /nfs/dbraw/zinc/16/54/00/1041165400.db2.gz XLFRSUUGCQXCDH-HDICACEKSA-N 1 2 358.511 2.503 20 30 FFEDLO CSc1nc(CN2C[C@@H]3COC[C@H](C2)[N@H+]3C2CCCC2)ccc1C#N ZINC001278843287 1041165403 /nfs/dbraw/zinc/16/54/03/1041165403.db2.gz XLFRSUUGCQXCDH-HDICACEKSA-N 1 2 358.511 2.503 20 30 FFEDLO CC[C@H](CC#N)[N@@H+]1CC[C@H]2C(=O)N(Cc3cccc(C)c3)CCO[C@H]2C1 ZINC001255172405 1041181096 /nfs/dbraw/zinc/18/10/96/1041181096.db2.gz OVFMIQBSKFABGG-AQNXPRMDSA-N 1 2 355.482 2.737 20 30 FFEDLO CC[C@H](CC#N)[N@H+]1CC[C@H]2C(=O)N(Cc3cccc(C)c3)CCO[C@H]2C1 ZINC001255172405 1041181106 /nfs/dbraw/zinc/18/11/06/1041181106.db2.gz OVFMIQBSKFABGG-AQNXPRMDSA-N 1 2 355.482 2.737 20 30 FFEDLO Cc1sc2ccccc2c1C[NH+]1CC2(C1)CN(CCCC#N)C(=O)CO2 ZINC001276708227 1041236575 /nfs/dbraw/zinc/23/65/75/1041236575.db2.gz CLZCBRKZABNNAN-UHFFFAOYSA-N 1 2 369.490 2.927 20 30 FFEDLO C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4ccc(C#N)cc4F)nc3c2)CC1 ZINC001250846160 1041399991 /nfs/dbraw/zinc/39/99/91/1041399991.db2.gz QTRCFIUGCIUSGF-UHFFFAOYSA-N 1 2 363.396 2.628 20 30 FFEDLO CCCCCCCCOCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnn2)C1 ZINC001214863042 1041598946 /nfs/dbraw/zinc/59/89/46/1041598946.db2.gz DASSLAWAHIZFRW-NVXWUHKLSA-N 1 2 368.547 2.852 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC001215377055 1041763833 /nfs/dbraw/zinc/76/38/33/1041763833.db2.gz YSQZJNXWSBVLCA-ZIFCJYIRSA-N 1 2 367.497 2.806 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(OC)c(O)c2Cl)C1=O ZINC001276736039 1041973748 /nfs/dbraw/zinc/97/37/48/1041973748.db2.gz QMIOOXTUOLYNRQ-GOSISDBHSA-N 1 2 350.846 2.807 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(OC)c(O)c2Cl)C1=O ZINC001276736039 1041973752 /nfs/dbraw/zinc/97/37/52/1041973752.db2.gz QMIOOXTUOLYNRQ-GOSISDBHSA-N 1 2 350.846 2.807 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001262941295 1041978287 /nfs/dbraw/zinc/97/82/87/1041978287.db2.gz HYNCQYNHRVPXMT-JYJNAYRXSA-N 1 2 365.547 2.576 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001262941295 1041978290 /nfs/dbraw/zinc/97/82/90/1041978290.db2.gz HYNCQYNHRVPXMT-JYJNAYRXSA-N 1 2 365.547 2.576 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCCCCCCC1 ZINC001262957623 1041988153 /nfs/dbraw/zinc/98/81/53/1041988153.db2.gz ZTDLHJWCYLUJRB-UHFFFAOYSA-N 1 2 361.534 2.829 20 30 FFEDLO C=CCn1c(N2CCCC[C@@H]2CC(C)C)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001262987985 1042012031 /nfs/dbraw/zinc/01/20/31/1042012031.db2.gz JVHVZJYDLIHXME-MBOZVWFJSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCn1c(N2CCCC[C@@H]2CC(C)C)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001262987985 1042012037 /nfs/dbraw/zinc/01/20/37/1042012037.db2.gz JVHVZJYDLIHXME-MBOZVWFJSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2CC2CCCC2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001262988097 1042012275 /nfs/dbraw/zinc/01/22/75/1042012275.db2.gz LOZRPRJAVGIGKX-OPYAIIAOSA-N 1 2 373.545 2.925 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2CC2CCCC2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001262988097 1042012280 /nfs/dbraw/zinc/01/22/80/1042012280.db2.gz LOZRPRJAVGIGKX-OPYAIIAOSA-N 1 2 373.545 2.925 20 30 FFEDLO C=CCN1C(=O)C2(CC[NH+](Cc3nc(C)no3)CC2)[C@H]1c1ccccc1 ZINC001276743334 1042063242 /nfs/dbraw/zinc/06/32/42/1042063242.db2.gz KISTYLFHCCPTJS-GOSISDBHSA-N 1 2 352.438 2.730 20 30 FFEDLO C=CCn1cc(CNC(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)nn1 ZINC001263115046 1042111655 /nfs/dbraw/zinc/11/16/55/1042111655.db2.gz GZSDYLYLWYGFHE-OAHLLOKOSA-N 1 2 371.489 2.505 20 30 FFEDLO C=C(C)Cn1c(N(C)[C@H](C)c2ccco2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001263285773 1042221402 /nfs/dbraw/zinc/22/14/02/1042221402.db2.gz NZYNGNYQSGPMEH-VCBZYWHSSA-N 1 2 359.474 2.556 20 30 FFEDLO C=C(C)Cn1c(N(C)[C@H](C)c2ccco2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001263285773 1042221404 /nfs/dbraw/zinc/22/14/04/1042221404.db2.gz NZYNGNYQSGPMEH-VCBZYWHSSA-N 1 2 359.474 2.556 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC001263301250 1042229524 /nfs/dbraw/zinc/22/95/24/1042229524.db2.gz LOBOBCHEGDBBAI-DEYYWGMASA-N 1 2 369.460 2.870 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC001263301250 1042229531 /nfs/dbraw/zinc/22/95/31/1042229531.db2.gz LOBOBCHEGDBBAI-DEYYWGMASA-N 1 2 369.460 2.870 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@H](C)[C@H](C)[C@H]1C ZINC001263316234 1042236955 /nfs/dbraw/zinc/23/69/55/1042236955.db2.gz PNXUSWPYCKHKJZ-YESZJQIVSA-N 1 2 361.534 2.539 20 30 FFEDLO C[C@@H](Cc1ccco1)C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001263660658 1042423508 /nfs/dbraw/zinc/42/35/08/1042423508.db2.gz LRQRLBMIXSPQAQ-INIZCTEOSA-N 1 2 373.474 2.947 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1c1ccccc1 ZINC001263884314 1042506905 /nfs/dbraw/zinc/50/69/05/1042506905.db2.gz JXBUBJWWIOSZPK-RBUKOAKNSA-N 1 2 367.497 2.502 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1c1ccccc1 ZINC001263884314 1042506908 /nfs/dbraw/zinc/50/69/08/1042506908.db2.gz JXBUBJWWIOSZPK-RBUKOAKNSA-N 1 2 367.497 2.502 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H](C)C#N)CC[N@@H+]1Cc1ccn(-c2ccccc2)n1 ZINC001264047708 1042596335 /nfs/dbraw/zinc/59/63/35/1042596335.db2.gz NVHRBHQAPCTSPB-AYOQOUSVSA-N 1 2 351.454 2.501 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H](C)C#N)CC[N@H+]1Cc1ccn(-c2ccccc2)n1 ZINC001264047708 1042596339 /nfs/dbraw/zinc/59/63/39/1042596339.db2.gz NVHRBHQAPCTSPB-AYOQOUSVSA-N 1 2 351.454 2.501 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3cn(C(C)C)nn3)CC[C@@H]2C1 ZINC001264097272 1042623850 /nfs/dbraw/zinc/62/38/50/1042623850.db2.gz MEJSGGPQJUIHFI-SJORKVTESA-N 1 2 359.518 2.742 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C(C)C)nn3)CC[C@@H]2C1 ZINC001264097272 1042623851 /nfs/dbraw/zinc/62/38/51/1042623851.db2.gz MEJSGGPQJUIHFI-SJORKVTESA-N 1 2 359.518 2.742 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc3cccc(C)c3s2)[C@H]1C ZINC001264149128 1042638455 /nfs/dbraw/zinc/63/84/55/1042638455.db2.gz VHJQJIPDBNDCQT-ZBFHGGJFSA-N 1 2 371.506 2.705 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc3cccc(C)c3s2)[C@H]1C ZINC001264149128 1042638458 /nfs/dbraw/zinc/63/84/58/1042638458.db2.gz VHJQJIPDBNDCQT-ZBFHGGJFSA-N 1 2 371.506 2.705 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CCCc2ccccn2)[C@H]1C ZINC001264169420 1042649786 /nfs/dbraw/zinc/64/97/86/1042649786.db2.gz HLSUNYBTKJPHNM-ZBFHGGJFSA-N 1 2 366.303 2.892 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CCCc2ccccn2)[C@H]1C ZINC001264169420 1042649787 /nfs/dbraw/zinc/64/97/87/1042649787.db2.gz HLSUNYBTKJPHNM-ZBFHGGJFSA-N 1 2 366.303 2.892 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(OC)nn3)[C@@H]2C)CCCCC1 ZINC001264176928 1042655330 /nfs/dbraw/zinc/65/53/30/1042655330.db2.gz SYOHDIWXKSYWLY-AEFFLSMTSA-N 1 2 370.497 2.538 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(OC)nn3)[C@@H]2C)CCCCC1 ZINC001264176928 1042655334 /nfs/dbraw/zinc/65/53/34/1042655334.db2.gz SYOHDIWXKSYWLY-AEFFLSMTSA-N 1 2 370.497 2.538 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](Cc2nnc(C3CCC3)n2C)[C@@H]1CC ZINC001264608990 1042742234 /nfs/dbraw/zinc/74/22/34/1042742234.db2.gz WHDDISGLVOIMID-DLBZAZTESA-N 1 2 359.518 2.908 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2nnc(C3CCC3)n2C)[C@@H]1CC ZINC001264608990 1042742240 /nfs/dbraw/zinc/74/22/40/1042742240.db2.gz WHDDISGLVOIMID-DLBZAZTESA-N 1 2 359.518 2.908 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nc(C3CCC3)no2)[C@@H]1CC ZINC001264615765 1042747523 /nfs/dbraw/zinc/74/75/23/1042747523.db2.gz FBGSAJUBJABHLR-DLBZAZTESA-N 1 2 358.486 3.000 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(C3CCC3)no2)[C@@H]1CC ZINC001264615765 1042747529 /nfs/dbraw/zinc/74/75/29/1042747529.db2.gz FBGSAJUBJABHLR-DLBZAZTESA-N 1 2 358.486 3.000 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2cncc(Cl)c2)C3)cc1C#N ZINC001279640513 1043383711 /nfs/dbraw/zinc/38/37/11/1043383711.db2.gz XDJWFBMJYPUQRC-APWZRJJASA-N 1 2 355.873 2.651 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cncc(Cl)c2)C3)cc1C#N ZINC001279640513 1043383716 /nfs/dbraw/zinc/38/37/16/1043383716.db2.gz XDJWFBMJYPUQRC-APWZRJJASA-N 1 2 355.873 2.651 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C1CC[NH+](Cc2nonc2C)CC1 ZINC001278169902 1043434215 /nfs/dbraw/zinc/43/42/15/1043434215.db2.gz ULVQPUQVUOOKJW-YTQUADARSA-N 1 2 370.497 2.631 20 30 FFEDLO Cc1ccc(C#N)c(NC(=O)[C@@H]2CC23C[NH+](Cc2ccnc(F)c2)C3)c1 ZINC001279802691 1043669601 /nfs/dbraw/zinc/66/96/01/1043669601.db2.gz WBRZPRKTQIMCRA-INIZCTEOSA-N 1 2 350.397 2.861 20 30 FFEDLO N#CC1(NC(=O)[C@@H]2CC23CC[NH+](Cc2cnc(Cl)s2)CC3)CCC1 ZINC001279843417 1043759123 /nfs/dbraw/zinc/75/91/23/1043759123.db2.gz RSWCYMMVAVXPRN-ZDUSSCGKSA-N 1 2 364.902 2.961 20 30 FFEDLO N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2cn(-c3cnccn3)cn2)C1 ZINC001238818437 1043912733 /nfs/dbraw/zinc/91/27/33/1043912733.db2.gz CHHNIIHRNWUVFQ-SFHVURJKSA-N 1 2 360.421 2.577 20 30 FFEDLO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2cn(-c3cnccn3)cn2)C1 ZINC001238818437 1043912742 /nfs/dbraw/zinc/91/27/42/1043912742.db2.gz CHHNIIHRNWUVFQ-SFHVURJKSA-N 1 2 360.421 2.577 20 30 FFEDLO CCc1cc(C[NH+]2CC3(C[C@@H]3C(=O)Nc3cc(C)ccc3C#N)C2)on1 ZINC001279930405 1043936060 /nfs/dbraw/zinc/93/60/60/1043936060.db2.gz VYHIBJYXNFRFPF-QGZVFWFLSA-N 1 2 350.422 2.878 20 30 FFEDLO CCn1ccnc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc(C#N)cc1Cl ZINC001280037130 1044116178 /nfs/dbraw/zinc/11/61/78/1044116178.db2.gz DUFISCWGMMULIB-CALCHBBNSA-N 1 2 355.873 2.887 20 30 FFEDLO CCn1ccnc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc(C#N)cc1Cl ZINC001280037130 1044116183 /nfs/dbraw/zinc/11/61/83/1044116183.db2.gz DUFISCWGMMULIB-CALCHBBNSA-N 1 2 355.873 2.887 20 30 FFEDLO CCCCCCCCCCCCNC(=S)N1CC[NH2+][C@@H](C(N)=O)C1 ZINC001239437413 1044122257 /nfs/dbraw/zinc/12/22/57/1044122257.db2.gz XAFMDYRLCXFXHT-MRXNPFEDSA-N 1 2 356.580 2.541 20 30 FFEDLO N#Cc1ccc2ncc(-c3ccc(OCC[NH+]4CCOCC4)cc3)nc2c1 ZINC001240448293 1044344273 /nfs/dbraw/zinc/34/42/73/1044344273.db2.gz DRYBGOWDJFWCFT-UHFFFAOYSA-N 1 2 360.417 2.879 20 30 FFEDLO N#CC1(NC(=O)[C@H]2CC23C[NH+](Cc2cnc4[nH]ccc4c2Cl)C3)CCC1 ZINC001280214121 1044406264 /nfs/dbraw/zinc/40/62/64/1044406264.db2.gz CGRSYEDUIVPKKY-CQSZACIVSA-N 1 2 369.856 2.552 20 30 FFEDLO C=C(C)[C@@H]1CC=C(C[NH+]2CC3(C2)CC[C@H](C(=O)Nc2nnco2)O3)CC1 ZINC001280232670 1044436138 /nfs/dbraw/zinc/43/61/38/1044436138.db2.gz ZBPWQYSVNIJJNP-HZPDHXFCSA-N 1 2 358.442 2.544 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3ccc(OCCC#N)cc3)cn2)CC1 ZINC001241566373 1044551329 /nfs/dbraw/zinc/55/13/29/1044551329.db2.gz QXJHSTKDSAKRAV-UHFFFAOYSA-N 1 2 365.481 2.700 20 30 FFEDLO N#Cc1ccc(C[NH+]2CC3(C[C@@H]3C(=O)NC3CCC(F)CC3)C2)c(F)c1 ZINC001280323428 1044605578 /nfs/dbraw/zinc/60/55/78/1044605578.db2.gz WHQQNCCYIPEVFL-OFLPRAFFSA-N 1 2 359.420 2.916 20 30 FFEDLO CN(C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccc(C#N)cc1F)C1CC(F)(F)C1 ZINC001280323949 1044607119 /nfs/dbraw/zinc/60/71/19/1044607119.db2.gz YNPRRYHZGILVJE-KUHUBIRLSA-N 1 2 363.383 2.918 20 30 FFEDLO CN(C(=O)[C@]12C[C@H]1CC[N@H+]2Cc1ccc(C#N)cc1F)C1CC(F)(F)C1 ZINC001280323949 1044607122 /nfs/dbraw/zinc/60/71/22/1044607122.db2.gz YNPRRYHZGILVJE-KUHUBIRLSA-N 1 2 363.383 2.918 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001281520208 1044914491 /nfs/dbraw/zinc/91/44/91/1044914491.db2.gz HMYPMOGIUMSIIW-CGTJXYLNSA-N 1 2 370.497 2.781 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001281520208 1044914503 /nfs/dbraw/zinc/91/45/03/1044914503.db2.gz HMYPMOGIUMSIIW-CGTJXYLNSA-N 1 2 370.497 2.781 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CCc2cccs2)CC1 ZINC001539429738 1070635357 /nfs/dbraw/zinc/63/53/57/1070635357.db2.gz CCUYSZCLOASFSC-INIZCTEOSA-N 1 2 357.527 2.851 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2C[C@H](C)c2ccccc2)CC1 ZINC001539429529 1070635471 /nfs/dbraw/zinc/63/54/71/1070635471.db2.gz AGXRIBXJMODVJX-SFHVURJKSA-N 1 2 351.498 2.960 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2Cc2c(F)cccc2SC)CC1 ZINC001539451940 1070640519 /nfs/dbraw/zinc/64/05/19/1070640519.db2.gz FZRRINJNJXHKHL-UHFFFAOYSA-N 1 2 373.501 2.505 20 30 FFEDLO C=C[C@@H](COC)NC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001320592701 1045433892 /nfs/dbraw/zinc/43/38/92/1045433892.db2.gz SQXNDVBTEFELMV-INIZCTEOSA-N 1 2 371.403 2.734 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1([NH2+]Cc2ncc(Cl)s2)CC1 ZINC001323570981 1045644589 /nfs/dbraw/zinc/64/45/89/1045644589.db2.gz KDQINEVSJHOBGB-FZMZJTMJSA-N 1 2 355.891 2.516 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccc(OCC#N)cc2)C1 ZINC001322643466 1046161984 /nfs/dbraw/zinc/16/19/84/1046161984.db2.gz OVQOHZSPIOUXEE-HNNXBMFYSA-N 1 2 353.426 2.809 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001282813300 1046247386 /nfs/dbraw/zinc/24/73/86/1046247386.db2.gz JUSJQALNCAQHNF-WFXMLNOXSA-N 1 2 370.497 2.525 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001282813819 1046249386 /nfs/dbraw/zinc/24/93/86/1046249386.db2.gz QSNVLHBIIRRJDB-FIKGOQFSSA-N 1 2 370.497 2.688 20 30 FFEDLO C=CCN(C)c1nnc([C@H]2CCCOC2)n1CCc1cn2ccccc2[nH+]1 ZINC001540072882 1070756807 /nfs/dbraw/zinc/75/68/07/1070756807.db2.gz XIUSCQNOERJNDB-INIZCTEOSA-N 1 2 366.469 2.685 20 30 FFEDLO C=CCN(CC=C)c1nnc(C2CCCC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001540167414 1070777581 /nfs/dbraw/zinc/77/75/81/1070777581.db2.gz ABYIAUZNYAXLFO-QGZVFWFLSA-N 1 2 359.518 2.835 20 30 FFEDLO C=CCN(CC=C)c1nnc(C2CCCC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001540167414 1070777586 /nfs/dbraw/zinc/77/75/86/1070777586.db2.gz ABYIAUZNYAXLFO-QGZVFWFLSA-N 1 2 359.518 2.835 20 30 FFEDLO C=CCN(CC=C)c1nnc([C@H]2CCCO2)n1Cc1c[nH+]ccc1OC ZINC001540178105 1070780229 /nfs/dbraw/zinc/78/02/29/1070780229.db2.gz XKTCIAXZLQQSGR-QGZVFWFLSA-N 1 2 355.442 2.760 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001285119189 1046728412 /nfs/dbraw/zinc/72/84/12/1046728412.db2.gz YGCNRPSINIFRHA-CLCXKQKWSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001285119189 1046728428 /nfs/dbraw/zinc/72/84/28/1046728428.db2.gz YGCNRPSINIFRHA-CLCXKQKWSA-N 1 2 358.486 2.661 20 30 FFEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccncc2C#N)C[C@H]1c1ccc(F)cc1F ZINC001326041651 1046740020 /nfs/dbraw/zinc/74/00/20/1046740020.db2.gz SREZTUHXYFMWBO-DLBZAZTESA-N 1 2 357.360 2.620 20 30 FFEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccncc2C#N)C[C@H]1c1ccc(F)cc1F ZINC001326041651 1046740032 /nfs/dbraw/zinc/74/00/32/1046740032.db2.gz SREZTUHXYFMWBO-DLBZAZTESA-N 1 2 357.360 2.620 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(C)CC2)CC1 ZINC001286479813 1047121306 /nfs/dbraw/zinc/12/13/06/1047121306.db2.gz XYXPULBVBGARDH-UHFFFAOYSA-N 1 2 367.472 2.563 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CC=CCC2)CC1 ZINC001286475295 1047121433 /nfs/dbraw/zinc/12/14/33/1047121433.db2.gz WCLRMLSNMADMAU-GOSISDBHSA-N 1 2 365.481 2.958 20 30 FFEDLO C=C[C@H](COC)NC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC001327030480 1047166118 /nfs/dbraw/zinc/16/61/18/1047166118.db2.gz BLZRDCAGASHUNL-SJLPKXTDSA-N 1 2 361.486 2.502 20 30 FFEDLO C=C[C@H](COC)NC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC001327030480 1047166125 /nfs/dbraw/zinc/16/61/25/1047166125.db2.gz BLZRDCAGASHUNL-SJLPKXTDSA-N 1 2 361.486 2.502 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001289820959 1047750155 /nfs/dbraw/zinc/75/01/55/1047750155.db2.gz PEICMQNFMHQUOZ-QMTMVMCOSA-N 1 2 366.465 2.838 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCc1ccccc1NS(C)(=O)=O ZINC001327958467 1048109589 /nfs/dbraw/zinc/10/95/89/1048109589.db2.gz VIJMZNAHRADWGW-UHFFFAOYSA-N 1 2 359.451 2.857 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(Br)cc(F)c2O)C1=O ZINC001332005331 1048207556 /nfs/dbraw/zinc/20/75/56/1048207556.db2.gz UIEKUWWEPOZFOX-CYBMUJFWSA-N 1 2 357.223 2.513 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(Br)cc(F)c2O)C1=O ZINC001332005331 1048207569 /nfs/dbraw/zinc/20/75/69/1048207569.db2.gz UIEKUWWEPOZFOX-CYBMUJFWSA-N 1 2 357.223 2.513 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@@]3(CNC(=O)Cc4[nH]cc[nH+]4)CCC[C@@H]23)CC1 ZINC001291730668 1048877639 /nfs/dbraw/zinc/87/76/39/1048877639.db2.gz QLXRIFSCYDIAFM-DYESRHJHSA-N 1 2 370.497 2.586 20 30 FFEDLO Cc1[nH]c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cc2[nH+]1 ZINC001333398505 1048882205 /nfs/dbraw/zinc/88/22/05/1048882205.db2.gz QQISIEIUTYUCGX-CQSZACIVSA-N 1 2 359.389 2.735 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001291866030 1048958026 /nfs/dbraw/zinc/95/80/26/1048958026.db2.gz NOATUUNDDSNFPH-IKGGRYGDSA-N 1 2 372.513 2.777 20 30 FFEDLO C#CCCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001291907596 1048984216 /nfs/dbraw/zinc/98/42/16/1048984216.db2.gz UKMDJBIJYDBQRP-YDZRNGNQSA-N 1 2 370.497 2.522 20 30 FFEDLO C=C(C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001291924095 1048996492 /nfs/dbraw/zinc/99/64/92/1048996492.db2.gz ZUEOYGRGLBRLMN-HFTRVMKXSA-N 1 2 352.438 2.781 20 30 FFEDLO COc1cccc([C@@]2(C)CC[N@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)c1 ZINC001333723520 1049082828 /nfs/dbraw/zinc/08/28/28/1049082828.db2.gz WRFMJSJFCVRIHJ-QFIPXVFZSA-N 1 2 363.461 2.838 20 30 FFEDLO COc1cccc([C@@]2(C)CC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)c1 ZINC001333723520 1049082837 /nfs/dbraw/zinc/08/28/37/1049082837.db2.gz WRFMJSJFCVRIHJ-QFIPXVFZSA-N 1 2 363.461 2.838 20 30 FFEDLO CCOCc1nnc(N2CCC(C#N)CC2)n1CCCc1cccc(C)[nH+]1 ZINC001297120543 1050123842 /nfs/dbraw/zinc/12/38/42/1050123842.db2.gz WFWJZEGOCLPYMF-UHFFFAOYSA-N 1 2 368.485 2.891 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001341854767 1050465544 /nfs/dbraw/zinc/46/55/44/1050465544.db2.gz UWCDGOQJFHHBGF-SFHVURJKSA-N 1 2 359.518 2.703 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCCC2(CC2)C1 ZINC001340195284 1050603141 /nfs/dbraw/zinc/60/31/41/1050603141.db2.gz KLPAICJTURJOSP-SJORKVTESA-N 1 2 357.502 2.770 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCCC2(CC2)C1 ZINC001340195284 1050603148 /nfs/dbraw/zinc/60/31/48/1050603148.db2.gz KLPAICJTURJOSP-SJORKVTESA-N 1 2 357.502 2.770 20 30 FFEDLO N#Cc1cccnc1NCc1cccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC001299814006 1050612706 /nfs/dbraw/zinc/61/27/06/1050612706.db2.gz RMQPZHFMSZTURL-GOSISDBHSA-N 1 2 372.432 2.507 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001340205199 1050614342 /nfs/dbraw/zinc/61/43/42/1050614342.db2.gz KYJHIJOYLXZHEB-SJLPKXTDSA-N 1 2 371.485 2.833 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001340205199 1050614346 /nfs/dbraw/zinc/61/43/46/1050614346.db2.gz KYJHIJOYLXZHEB-SJLPKXTDSA-N 1 2 371.485 2.833 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC([C@H]2CCOC2)CC1 ZINC001342099301 1050694485 /nfs/dbraw/zinc/69/44/85/1050694485.db2.gz GRMNYQFYQMDNTD-SFHVURJKSA-N 1 2 359.518 2.703 20 30 FFEDLO C=C(C)CN(CC)c1nnc(C(C)(C)C)n1CC1([NH+]2CCOCC2)CC1 ZINC001300900195 1050768449 /nfs/dbraw/zinc/76/84/49/1050768449.db2.gz NPDNUHZEJYLQPH-UHFFFAOYSA-N 1 2 361.534 2.843 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CC[C@H](c2cccc(C)c2)C1 ZINC001340376153 1050769801 /nfs/dbraw/zinc/76/98/01/1050769801.db2.gz WDVFVNKUDZONQZ-OTWHNJEPSA-N 1 2 367.497 2.504 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CC[C@H](c2cccc(C)c2)C1 ZINC001340376153 1050769809 /nfs/dbraw/zinc/76/98/09/1050769809.db2.gz WDVFVNKUDZONQZ-OTWHNJEPSA-N 1 2 367.497 2.504 20 30 FFEDLO C=CCn1c([C@@H](C)SC)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001340415050 1050811276 /nfs/dbraw/zinc/81/12/76/1050811276.db2.gz MVVTXLBICRZHSU-CYBMUJFWSA-N 1 2 358.515 2.912 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@@H](C2CCCC2)C1 ZINC001340448105 1050841981 /nfs/dbraw/zinc/84/19/81/1050841981.db2.gz CGIXLVURWQUDMR-LJQANCHMSA-N 1 2 373.545 2.685 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C[C@H]1CCC(=O)N1)C(C)C ZINC001342327819 1050922008 /nfs/dbraw/zinc/92/20/08/1050922008.db2.gz FVIPQCPJZRFFRN-SJORKVTESA-N 1 2 374.533 2.504 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C[C@H]1CCC(=O)N1)C(C)C ZINC001342327819 1050922020 /nfs/dbraw/zinc/92/20/20/1050922020.db2.gz FVIPQCPJZRFFRN-SJORKVTESA-N 1 2 374.533 2.504 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N(C)Cc1cnn(CC)c1 ZINC001342341075 1050935520 /nfs/dbraw/zinc/93/55/20/1050935520.db2.gz LGKWWTCWNZYTBQ-UHFFFAOYSA-N 1 2 357.506 2.693 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc(Cc3[nH+]ccn3C)n2Cc2ccccc2)C1 ZINC001340676229 1051044977 /nfs/dbraw/zinc/04/49/77/1051044977.db2.gz IZGKJWWSILGREW-GOSISDBHSA-N 1 2 374.492 2.890 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)CCc1ccccc1F ZINC001340733945 1051092424 /nfs/dbraw/zinc/09/24/24/1051092424.db2.gz WJHIISIYRMXEGQ-UHFFFAOYSA-N 1 2 354.433 2.606 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@H]1C1CCC1 ZINC001342797694 1051407707 /nfs/dbraw/zinc/40/77/07/1051407707.db2.gz FGLBFKWRXUMJPX-IBGZPJMESA-N 1 2 373.545 2.827 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCCC(F)(F)CC1 ZINC001341440499 1051797124 /nfs/dbraw/zinc/79/71/24/1051797124.db2.gz LSNOGPLUFOQAND-UHFFFAOYSA-N 1 2 352.433 2.534 20 30 FFEDLO N#CCCN(CC1CC1)c1nnc(C[NH+]2CCCCC2)n1C[C@H]1CCCO1 ZINC001343265914 1052117141 /nfs/dbraw/zinc/11/71/41/1052117141.db2.gz QRSFYQIICXKSTF-GOSISDBHSA-N 1 2 372.517 2.573 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2cccc(F)c2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001343287649 1052136874 /nfs/dbraw/zinc/13/68/74/1052136874.db2.gz KNFDUHMLWQUYQB-XLIONFOSSA-N 1 2 373.476 2.541 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2cccc(F)c2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001343287649 1052136879 /nfs/dbraw/zinc/13/68/79/1052136879.db2.gz KNFDUHMLWQUYQB-XLIONFOSSA-N 1 2 373.476 2.541 20 30 FFEDLO N#C[C@@H](C(=O)c1ccc(-n2cc[nH+]c2)cc1)c1nc(N)c2ccccc2n1 ZINC001343355427 1052180034 /nfs/dbraw/zinc/18/00/34/1052180034.db2.gz QSTLXGYQYUBYMY-INIZCTEOSA-N 1 2 354.373 2.888 20 30 FFEDLO CC(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@H](CC#N)C1 ZINC001343466782 1052250405 /nfs/dbraw/zinc/25/04/05/1052250405.db2.gz AICCZEOWDXDVKS-QZTJIDSGSA-N 1 2 374.533 2.846 20 30 FFEDLO CC(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@H](CC#N)C1 ZINC001343466782 1052250415 /nfs/dbraw/zinc/25/04/15/1052250415.db2.gz AICCZEOWDXDVKS-QZTJIDSGSA-N 1 2 374.533 2.846 20 30 FFEDLO Cc1cc([C@@H]2CCCC[N@@H+]2CC#CCN2C(=O)c3ccccc3C2=O)[nH]n1 ZINC001308109473 1052409379 /nfs/dbraw/zinc/40/93/79/1052409379.db2.gz RJUQYFMSPCHNOY-IBGZPJMESA-N 1 2 362.433 2.545 20 30 FFEDLO Cc1cc([C@@H]2CCCC[N@H+]2CC#CCN2C(=O)c3ccccc3C2=O)[nH]n1 ZINC001308109473 1052409380 /nfs/dbraw/zinc/40/93/80/1052409380.db2.gz RJUQYFMSPCHNOY-IBGZPJMESA-N 1 2 362.433 2.545 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC(=C)CC1 ZINC001343780655 1052415871 /nfs/dbraw/zinc/41/58/71/1052415871.db2.gz QYZNYOGYEJIJRY-ZWKOTPCHSA-N 1 2 357.502 2.936 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC(=C)CC1 ZINC001343780655 1052415872 /nfs/dbraw/zinc/41/58/72/1052415872.db2.gz QYZNYOGYEJIJRY-ZWKOTPCHSA-N 1 2 357.502 2.936 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001343784568 1052418546 /nfs/dbraw/zinc/41/85/46/1052418546.db2.gz XAMBGUAUJKZOCM-IXDOHACOSA-N 1 2 359.518 2.728 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001343784568 1052418549 /nfs/dbraw/zinc/41/85/49/1052418549.db2.gz XAMBGUAUJKZOCM-IXDOHACOSA-N 1 2 359.518 2.728 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2CCC[C@H](C#N)C2)n1Cc1ccccc1 ZINC001344069988 1052578067 /nfs/dbraw/zinc/57/80/67/1052578067.db2.gz XKXWFGFVXGNYNC-QZTJIDSGSA-N 1 2 350.470 2.833 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2CCC[C@H](C#N)C2)n1Cc1ccccc1 ZINC001344069988 1052578073 /nfs/dbraw/zinc/57/80/73/1052578073.db2.gz XKXWFGFVXGNYNC-QZTJIDSGSA-N 1 2 350.470 2.833 20 30 FFEDLO CN(c1nnc([C@H]2CCCC[N@@H+]2C)n1C[C@@H]1CCOC1)[C@@H]1CCC[C@@H]1C#N ZINC001344106408 1052599963 /nfs/dbraw/zinc/59/99/63/1052599963.db2.gz GMUNBPCKUHLZBH-BSDSXHPESA-N 1 2 372.517 2.600 20 30 FFEDLO CN(c1nnc([C@H]2CCCC[N@H+]2C)n1C[C@@H]1CCOC1)[C@@H]1CCC[C@@H]1C#N ZINC001344106408 1052599970 /nfs/dbraw/zinc/59/99/70/1052599970.db2.gz GMUNBPCKUHLZBH-BSDSXHPESA-N 1 2 372.517 2.600 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001344275159 1052675866 /nfs/dbraw/zinc/67/58/66/1052675866.db2.gz AKCNXBMRTLHODK-YESZJQIVSA-N 1 2 360.502 2.838 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC(F)(C2CC2)CC1 ZINC001345994024 1052699408 /nfs/dbraw/zinc/69/94/08/1052699408.db2.gz KVRKGCOKKDXQDN-UHFFFAOYSA-N 1 2 358.465 2.897 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001344567888 1052838312 /nfs/dbraw/zinc/83/83/12/1052838312.db2.gz XOVCELMTOBSHRZ-NUJGCVRESA-N 1 2 360.502 2.688 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001344567888 1052838314 /nfs/dbraw/zinc/83/83/14/1052838314.db2.gz XOVCELMTOBSHRZ-NUJGCVRESA-N 1 2 360.502 2.688 20 30 FFEDLO Cc1cc(Cn2c([C@@H]3CCCC[N@H+]3C)nnc2N2CCC(C#N)CC2)no1 ZINC001346925933 1053450743 /nfs/dbraw/zinc/45/07/43/1053450743.db2.gz JXMFBBVJDHVGGN-KRWDZBQOSA-N 1 2 369.473 2.520 20 30 FFEDLO Cc1cc(Cn2c([C@@H]3CCCC[N@@H+]3C)nnc2N2CCC(C#N)CC2)no1 ZINC001346925933 1053450747 /nfs/dbraw/zinc/45/07/47/1053450747.db2.gz JXMFBBVJDHVGGN-KRWDZBQOSA-N 1 2 369.473 2.520 20 30 FFEDLO C=CCO[C@H]1CCN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC001347192191 1053708181 /nfs/dbraw/zinc/70/81/81/1053708181.db2.gz QBROFRZWSWKHDC-ZWKOTPCHSA-N 1 2 354.454 2.690 20 30 FFEDLO C[C@H](CC#N)N(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1C[C@@H]1CCCCO1 ZINC001347213506 1053726285 /nfs/dbraw/zinc/72/62/85/1053726285.db2.gz PCBCYLHTWJDJTR-IXDOHACOSA-N 1 2 360.506 2.742 20 30 FFEDLO C[C@H](CC#N)N(C)c1nnc([C@H]2CCCC[N@H+]2C)n1C[C@@H]1CCCCO1 ZINC001347213506 1053726294 /nfs/dbraw/zinc/72/62/94/1053726294.db2.gz PCBCYLHTWJDJTR-IXDOHACOSA-N 1 2 360.506 2.742 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001347259905 1053769711 /nfs/dbraw/zinc/76/97/11/1053769711.db2.gz OZKBZBWARRPJDI-AYBZRNKSSA-N 1 2 364.449 2.618 20 30 FFEDLO C#CC[N@@H+](CC(=O)Nc1nc(CN2CCC(C)CC2)cs1)CC1CC1 ZINC001347538249 1054084357 /nfs/dbraw/zinc/08/43/57/1054084357.db2.gz MLNAFTIOSYPZPT-UHFFFAOYSA-N 1 2 360.527 2.659 20 30 FFEDLO C#CC[N@H+](CC(=O)Nc1nc(CN2CCC(C)CC2)cs1)CC1CC1 ZINC001347538249 1054084366 /nfs/dbraw/zinc/08/43/66/1054084366.db2.gz MLNAFTIOSYPZPT-UHFFFAOYSA-N 1 2 360.527 2.659 20 30 FFEDLO C#Cc1ccc(NC(=O)C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC001336649624 1054115928 /nfs/dbraw/zinc/11/59/28/1054115928.db2.gz MUWGKSZFTQTYCZ-UHFFFAOYSA-N 1 2 364.449 2.522 20 30 FFEDLO C[C@@H]1CN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)CCS1 ZINC001347966657 1054511223 /nfs/dbraw/zinc/51/12/23/1054511223.db2.gz QOFLZWYHHAIECT-OAHLLOKOSA-N 1 2 374.558 2.723 20 30 FFEDLO Cc1cc(Cn2c([C@H]3CCC[N@H+]3C)nnc2N2CCC[C@@H](CC#N)C2)no1 ZINC001348278333 1054598645 /nfs/dbraw/zinc/59/86/45/1054598645.db2.gz WWDIBXOARFNZHZ-DOTOQJQBSA-N 1 2 369.473 2.520 20 30 FFEDLO Cc1cc(Cn2c([C@H]3CCC[N@@H+]3C)nnc2N2CCC[C@@H](CC#N)C2)no1 ZINC001348278333 1054598657 /nfs/dbraw/zinc/59/86/57/1054598657.db2.gz WWDIBXOARFNZHZ-DOTOQJQBSA-N 1 2 369.473 2.520 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1c[nH]c2cccc(C#N)c21 ZINC001351667162 1054944870 /nfs/dbraw/zinc/94/48/70/1054944870.db2.gz UCGZRCCHRUTEIV-UHFFFAOYSA-N 1 2 361.405 2.832 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@H](CC)CC[C@@H]1C ZINC001351723101 1054970470 /nfs/dbraw/zinc/97/04/70/1054970470.db2.gz MIHXKHINDIKIIT-DLBZAZTESA-N 1 2 361.534 2.683 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCS[C@@H](CC)C1 ZINC001351948841 1055081288 /nfs/dbraw/zinc/08/12/88/1055081288.db2.gz IZCIHLWNZVGPQX-KRWDZBQOSA-N 1 2 374.558 2.889 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@H](CO)[C@@H]1C ZINC001351980919 1055098490 /nfs/dbraw/zinc/09/84/90/1055098490.db2.gz KHMJFDAYVCOELP-RCCFBDPRSA-N 1 2 372.517 2.893 20 30 FFEDLO C=CCn1c(N2CCC3(CCCCC3)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001356134211 1055321267 /nfs/dbraw/zinc/32/12/67/1055321267.db2.gz LVCJJVVZDQSQHI-YLJYHZDGSA-N 1 2 373.545 2.926 20 30 FFEDLO C=CCn1c(N2CCC3(CCCCC3)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001356134211 1055321284 /nfs/dbraw/zinc/32/12/84/1055321284.db2.gz LVCJJVVZDQSQHI-YLJYHZDGSA-N 1 2 373.545 2.926 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC(c2nc(C)no2)CC1 ZINC001356209728 1055386907 /nfs/dbraw/zinc/38/69/07/1055386907.db2.gz BADLLMTXHCBIIO-INIZCTEOSA-N 1 2 371.489 2.696 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC(c2nc(C)no2)CC1 ZINC001356209728 1055386921 /nfs/dbraw/zinc/38/69/21/1055386921.db2.gz BADLLMTXHCBIIO-INIZCTEOSA-N 1 2 371.489 2.696 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@H](C)CC#N ZINC001356209804 1055387401 /nfs/dbraw/zinc/38/74/01/1055387401.db2.gz BPXZNAZJBAWZPS-MRXNPFEDSA-N 1 2 355.490 2.686 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001356210645 1055389252 /nfs/dbraw/zinc/38/92/52/1055389252.db2.gz NMTRYTDFNKJSLI-QZTJIDSGSA-N 1 2 354.502 2.793 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@H]1CC[C@H]1OC ZINC001356210939 1055389448 /nfs/dbraw/zinc/38/94/48/1055389448.db2.gz SCNITJNFKQJOBX-ZWKOTPCHSA-N 1 2 372.517 2.561 20 30 FFEDLO CCn1c([C@H]2C[N@H+](Cc3ccccc3)CCO2)nnc1N(C)[C@@H](C)CC#N ZINC001356489821 1055534080 /nfs/dbraw/zinc/53/40/80/1055534080.db2.gz LDYSZBYVIKAKRO-FUHWJXTLSA-N 1 2 368.485 2.610 20 30 FFEDLO CCn1c([C@H]2C[N@@H+](Cc3ccccc3)CCO2)nnc1N(C)[C@@H](C)CC#N ZINC001356489821 1055534093 /nfs/dbraw/zinc/53/40/93/1055534093.db2.gz LDYSZBYVIKAKRO-FUHWJXTLSA-N 1 2 368.485 2.610 20 30 FFEDLO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001356545659 1055569847 /nfs/dbraw/zinc/56/98/47/1055569847.db2.gz ZVXKMZBOCRBJDL-IAQYHMDHSA-N 1 2 361.243 2.736 20 30 FFEDLO C=CCn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1C(C)(C)COC ZINC001338694459 1055738590 /nfs/dbraw/zinc/73/85/90/1055738590.db2.gz WZIFEIXWVHYILM-UHFFFAOYSA-N 1 2 370.501 2.864 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC001338771993 1055800374 /nfs/dbraw/zinc/80/03/74/1055800374.db2.gz IOEDWAPREULXPB-OWSLCNJRSA-N 1 2 373.545 2.854 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC001338771993 1055800391 /nfs/dbraw/zinc/80/03/91/1055800391.db2.gz IOEDWAPREULXPB-OWSLCNJRSA-N 1 2 373.545 2.854 20 30 FFEDLO CCOCCCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC(C)(C#N)CC1 ZINC001357454285 1055908959 /nfs/dbraw/zinc/90/89/59/1055908959.db2.gz QHJGJNQAOREBOH-MRXNPFEDSA-N 1 2 360.506 2.601 20 30 FFEDLO CCOCCCn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC(C)(C#N)CC1 ZINC001357454285 1055908966 /nfs/dbraw/zinc/90/89/66/1055908966.db2.gz QHJGJNQAOREBOH-MRXNPFEDSA-N 1 2 360.506 2.601 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H]2c2ccccc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001339133824 1056125047 /nfs/dbraw/zinc/12/50/47/1056125047.db2.gz DCDBYXUYBQTHHN-RBUKOAKNSA-N 1 2 367.497 2.504 20 30 FFEDLO C=CCn1c(N2CCCC3(CCCC3)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001339198043 1056193383 /nfs/dbraw/zinc/19/33/83/1056193383.db2.gz UTBQNRBKKHLCEY-FXAWDEMLSA-N 1 2 373.545 2.926 20 30 FFEDLO C=CCn1c(N2CCCC3(CCCC3)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339198043 1056193392 /nfs/dbraw/zinc/19/33/92/1056193392.db2.gz UTBQNRBKKHLCEY-FXAWDEMLSA-N 1 2 373.545 2.926 20 30 FFEDLO C=CCn1c(-c2ccccn2)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001339400644 1056415567 /nfs/dbraw/zinc/41/55/67/1056415567.db2.gz KCIUZQWBNDPBBT-UHFFFAOYSA-N 1 2 361.453 2.550 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(CCF)CC1 ZINC001339485907 1056502302 /nfs/dbraw/zinc/50/23/02/1056502302.db2.gz NVJLYKMBUNRBIS-QGZVFWFLSA-N 1 2 365.497 2.822 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(CCF)CC1 ZINC001339485907 1056502317 /nfs/dbraw/zinc/50/23/17/1056502317.db2.gz NVJLYKMBUNRBIS-QGZVFWFLSA-N 1 2 365.497 2.822 20 30 FFEDLO C=CCn1c(-c2c[nH]c(C)n2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001339627866 1056652618 /nfs/dbraw/zinc/65/26/18/1056652618.db2.gz LSWVJKFMTCTKLI-UHFFFAOYSA-N 1 2 364.457 2.639 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCCCC=C)CC1 ZINC001359034134 1056667043 /nfs/dbraw/zinc/66/70/43/1056667043.db2.gz DUUGFDIEJPWZCZ-UHFFFAOYSA-N 1 2 364.497 2.760 20 30 FFEDLO C=CCN(C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001359237610 1056855588 /nfs/dbraw/zinc/85/55/88/1056855588.db2.gz GKWWOGFJVQZEBU-UHFFFAOYSA-N 1 2 363.469 2.780 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)CC1 ZINC001444338955 1058297465 /nfs/dbraw/zinc/29/74/65/1058297465.db2.gz SSLPMLVKAPNHRN-UHFFFAOYSA-N 1 2 350.418 2.930 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)CC1 ZINC001444338955 1058297482 /nfs/dbraw/zinc/29/74/82/1058297482.db2.gz SSLPMLVKAPNHRN-UHFFFAOYSA-N 1 2 350.418 2.930 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)C1CC[NH+](Cc2ncccn2)CC1 ZINC001500038005 1058430037 /nfs/dbraw/zinc/43/00/37/1058430037.db2.gz QZQMZBDLWUKGQE-PKOBYXMFSA-N 1 2 368.525 2.975 20 30 FFEDLO C#CCN(CCOC)c1nnc(C(C)C)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001300653467 1059173324 /nfs/dbraw/zinc/17/33/24/1059173324.db2.gz MTHXSOQQETUDRO-QGZVFWFLSA-N 1 2 370.501 2.570 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2CCCOCCCC)CC1 ZINC001300697437 1059387915 /nfs/dbraw/zinc/38/79/15/1059387915.db2.gz CDBWWLXJFGIBNI-UHFFFAOYSA-N 1 2 373.545 2.898 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@H](CC#N)C1 ZINC001520243535 1059527505 /nfs/dbraw/zinc/52/75/05/1059527505.db2.gz AWNZGDSFVBEPJL-SQNIBIBYSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@H](CC#N)C1 ZINC001520243535 1059527513 /nfs/dbraw/zinc/52/75/13/1059527513.db2.gz AWNZGDSFVBEPJL-SQNIBIBYSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)Cc1ccccc1SC ZINC001520289032 1059572533 /nfs/dbraw/zinc/57/25/33/1059572533.db2.gz IQBAYQJSLKRGHF-HOTGVXAUSA-N 1 2 373.526 2.560 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)Cc1ccccc1SC ZINC001520289032 1059572556 /nfs/dbraw/zinc/57/25/56/1059572556.db2.gz IQBAYQJSLKRGHF-HOTGVXAUSA-N 1 2 373.526 2.560 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(Cc1ccc(F)cc1)C1CC1 ZINC001520289663 1059575616 /nfs/dbraw/zinc/57/56/16/1059575616.db2.gz PYNGWBDWXWWQFE-QZTJIDSGSA-N 1 2 371.460 2.510 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(Cc1ccc(F)cc1)C1CC1 ZINC001520289663 1059575635 /nfs/dbraw/zinc/57/56/35/1059575635.db2.gz PYNGWBDWXWWQFE-QZTJIDSGSA-N 1 2 371.460 2.510 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(CC)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001507536775 1059629672 /nfs/dbraw/zinc/62/96/72/1059629672.db2.gz QMZZYRLJSXNPQU-MRXNPFEDSA-N 1 2 352.486 2.732 20 30 FFEDLO C#CCN(C)c1nnc([C@@H](C)CC)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001507601612 1059650787 /nfs/dbraw/zinc/65/07/87/1059650787.db2.gz SSIGPPIIWNDPRF-INIZCTEOSA-N 1 2 352.486 2.905 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)[C@@H]1CCCSC1 ZINC001520425253 1059675932 /nfs/dbraw/zinc/67/59/32/1059675932.db2.gz MKQAURPUBGMYCZ-MRXNPFEDSA-N 1 2 365.520 2.618 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CC2(OCC)CCCC2)CC1 ZINC001507719716 1059699724 /nfs/dbraw/zinc/69/97/24/1059699724.db2.gz AKWRXUWZBDVWMO-SFHVURJKSA-N 1 2 373.545 2.896 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2CCC2=CCCCC2)CC1 ZINC001507728843 1059701403 /nfs/dbraw/zinc/70/14/03/1059701403.db2.gz VMBMEEPUWNFBNE-UHFFFAOYSA-N 1 2 353.514 2.876 20 30 FFEDLO C=CCCC1(C(=O)N(C)C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001508293312 1059848132 /nfs/dbraw/zinc/84/81/32/1059848132.db2.gz OVEILEFRWRYAPT-GVDBMIGSSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCCC1(C(=O)N(C)C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001508293312 1059848165 /nfs/dbraw/zinc/84/81/65/1059848165.db2.gz OVEILEFRWRYAPT-GVDBMIGSSA-N 1 2 370.497 2.709 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2CCC(=NNCCCn3cc[nH+]c3)C[C@H]2C1 ZINC000848416699 1059973381 /nfs/dbraw/zinc/97/33/81/1059973381.db2.gz VDDWVQJYGHQORW-HOTGVXAUSA-N 1 2 361.490 2.886 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc(Cc2[nH+]ccn2Cc2ccccc2)n1C ZINC001355325180 1060126469 /nfs/dbraw/zinc/12/64/69/1060126469.db2.gz DYPUZDCANFPMBQ-GOSISDBHSA-N 1 2 360.465 2.643 20 30 FFEDLO N#CCC[NH+]1CCC(c2nnc(N3CCC[C@@H](C#N)C3)n2CC2CC2)CC1 ZINC001521170982 1060447616 /nfs/dbraw/zinc/44/76/16/1060447616.db2.gz OBFWTNFLDUPDJC-KRWDZBQOSA-N 1 2 367.501 2.521 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NCCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001512641776 1060619888 /nfs/dbraw/zinc/61/98/88/1060619888.db2.gz XQQWESVZSDYCMS-HUUCEWRRSA-N 1 2 358.486 2.518 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NCCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001512641776 1060619895 /nfs/dbraw/zinc/61/98/95/1060619895.db2.gz XQQWESVZSDYCMS-HUUCEWRRSA-N 1 2 358.486 2.518 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001355876586 1060685948 /nfs/dbraw/zinc/68/59/48/1060685948.db2.gz ODBRHORXSMTHPD-MHORFTMASA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001355876586 1060685954 /nfs/dbraw/zinc/68/59/54/1060685954.db2.gz ODBRHORXSMTHPD-MHORFTMASA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@H]1c1ccc(C)cc1 ZINC001355920660 1060729876 /nfs/dbraw/zinc/72/98/76/1060729876.db2.gz VAYWSSYZVVSZEP-FHWLQOOXSA-N 1 2 367.497 2.852 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@H]1c1ccc(C)cc1 ZINC001355920660 1060729890 /nfs/dbraw/zinc/72/98/90/1060729890.db2.gz VAYWSSYZVVSZEP-FHWLQOOXSA-N 1 2 367.497 2.852 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H](c2ccn(C)n2)C1 ZINC001355941826 1060745220 /nfs/dbraw/zinc/74/52/20/1060745220.db2.gz MVSPJKGDLZNGNC-KRWDZBQOSA-N 1 2 369.517 2.568 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(C)C[C@](C)(O)c1ccccc1 ZINC001355968692 1060770625 /nfs/dbraw/zinc/77/06/25/1060770625.db2.gz WXPOJPFOMSDRAU-NRFANRHFSA-N 1 2 369.513 2.794 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001355968518 1060770848 /nfs/dbraw/zinc/77/08/48/1060770848.db2.gz JVOCHCZXWPWRTC-INIZCTEOSA-N 1 2 361.534 2.541 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 ZINC001355976607 1060776466 /nfs/dbraw/zinc/77/64/66/1060776466.db2.gz MZFLMNASRAFTHD-IRXDYDNUSA-N 1 2 372.517 2.820 20 30 FFEDLO CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCc1cccc(C)[nH+]1 ZINC001548128730 1072026515 /nfs/dbraw/zinc/02/65/15/1072026515.db2.gz ZJHNIIBEXVOSSQ-LJQANCHMSA-N 1 2 372.448 2.593 20 30 FFEDLO C#CC[N@@H+](Cc1cc(Cl)n(C)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460779734 1061099364 /nfs/dbraw/zinc/09/93/64/1061099364.db2.gz XOWLIANCQXTMLK-UHFFFAOYSA-N 1 2 366.893 2.908 20 30 FFEDLO C#CC[N@H+](Cc1cc(Cl)n(C)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460779734 1061099378 /nfs/dbraw/zinc/09/93/78/1061099378.db2.gz XOWLIANCQXTMLK-UHFFFAOYSA-N 1 2 366.893 2.908 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001460781742 1061101192 /nfs/dbraw/zinc/10/11/92/1061101192.db2.gz YPBZNLLFWHTUSH-NWDGAFQWSA-N 1 2 357.845 2.956 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001460781742 1061101196 /nfs/dbraw/zinc/10/11/96/1061101196.db2.gz YPBZNLLFWHTUSH-NWDGAFQWSA-N 1 2 357.845 2.956 20 30 FFEDLO N#CCc1ccc(C[N@@H+]2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 ZINC001460960452 1061166894 /nfs/dbraw/zinc/16/68/94/1061166894.db2.gz KLTVTUSFTYDWDB-JKSUJKDBSA-N 1 2 372.412 2.694 20 30 FFEDLO N#CCc1ccc(C[N@H+]2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 ZINC001460960452 1061166898 /nfs/dbraw/zinc/16/68/98/1061166898.db2.gz KLTVTUSFTYDWDB-JKSUJKDBSA-N 1 2 372.412 2.694 20 30 FFEDLO N#Cc1cc(F)cc(S(=O)(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001475618182 1061166984 /nfs/dbraw/zinc/16/69/84/1061166984.db2.gz AFZZMKNGDUAQLK-GOSISDBHSA-N 1 2 370.409 2.614 20 30 FFEDLO CC(C)(C#N)CS(=O)(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001475649049 1061180917 /nfs/dbraw/zinc/18/09/17/1061180917.db2.gz BXHAJTVDVPUJPR-UHFFFAOYSA-N 1 2 372.494 2.557 20 30 FFEDLO C=C(C)CN(CC)c1nnc([C@]2(C)C[C@H](O)C[N@@H+]2C)n1Cc1ccccc1 ZINC001522099722 1061547819 /nfs/dbraw/zinc/54/78/19/1061547819.db2.gz ANXCPNHVKUNMNR-RXVVDRJESA-N 1 2 369.513 2.640 20 30 FFEDLO C=C(C)CN(CC)c1nnc([C@]2(C)C[C@H](O)C[N@H+]2C)n1Cc1ccccc1 ZINC001522099722 1061547831 /nfs/dbraw/zinc/54/78/31/1061547831.db2.gz ANXCPNHVKUNMNR-RXVVDRJESA-N 1 2 369.513 2.640 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001462459345 1061631818 /nfs/dbraw/zinc/63/18/18/1061631818.db2.gz LKXGUHBVWFGIFB-HXUWFJFHSA-N 1 2 359.433 2.992 20 30 FFEDLO CC#CCCCC(=O)NCCC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001527849259 1061652548 /nfs/dbraw/zinc/65/25/48/1061652548.db2.gz KVRWMYOUDOBSMP-KZNAEPCWSA-N 1 2 370.497 2.594 20 30 FFEDLO CC#CCCCC(=O)NCCC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001527849259 1061652552 /nfs/dbraw/zinc/65/25/52/1061652552.db2.gz KVRWMYOUDOBSMP-KZNAEPCWSA-N 1 2 370.497 2.594 20 30 FFEDLO CNc1cc(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC001528130387 1061766435 /nfs/dbraw/zinc/76/64/35/1061766435.db2.gz KRPJDBRFGLPGCJ-UHFFFAOYSA-N 1 2 365.437 2.748 20 30 FFEDLO C=CC[C@@H]1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC001477962007 1061850756 /nfs/dbraw/zinc/85/07/56/1061850756.db2.gz DZGAFVOCAOVFCI-WOJBJXKFSA-N 1 2 357.498 2.538 20 30 FFEDLO C=CCC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001522275112 1061852313 /nfs/dbraw/zinc/85/23/13/1061852313.db2.gz VBKGOVSUNYJVFO-HZMVEIRTSA-N 1 2 358.486 2.685 20 30 FFEDLO Cn1cc[nH+]c1CCC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC001546137722 1062028525 /nfs/dbraw/zinc/02/85/25/1062028525.db2.gz BWQRAQWSIMXNDX-UHFFFAOYSA-N 1 2 354.801 2.702 20 30 FFEDLO C#C[C@H](NC(=O)N[C@H](CC)C[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC001478902081 1062148089 /nfs/dbraw/zinc/14/80/89/1062148089.db2.gz XRDUGZMSYGEHQJ-PBHICJAKSA-N 1 2 367.852 2.563 20 30 FFEDLO Cc1nnc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)C#CC(C)(C)C)C2)o1 ZINC001479422836 1062367705 /nfs/dbraw/zinc/36/77/05/1062367705.db2.gz ILNXYNCLTDBYHG-ZWKOTPCHSA-N 1 2 366.465 2.512 20 30 FFEDLO Cc1nnc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)C#CC(C)(C)C)C2)o1 ZINC001479422836 1062367729 /nfs/dbraw/zinc/36/77/29/1062367729.db2.gz ILNXYNCLTDBYHG-ZWKOTPCHSA-N 1 2 366.465 2.512 20 30 FFEDLO CC(C)Cc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C#CC(C)(C)C)C2)no1 ZINC001479448167 1062411966 /nfs/dbraw/zinc/41/19/66/1062411966.db2.gz ZPJSLORPGIFWHN-JKSUJKDBSA-N 1 2 360.502 2.692 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@H]([C@H]2CCCO2)C1 ZINC001524346933 1062809262 /nfs/dbraw/zinc/80/92/62/1062809262.db2.gz KYOUAUIVWRRZMT-QZTJIDSGSA-N 1 2 359.518 2.845 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2c(F)cccc2Cl)[C@@H]1C ZINC001479707350 1062851027 /nfs/dbraw/zinc/85/10/27/1062851027.db2.gz ZIBWZMOOOQTYQI-IGCXYCKISA-N 1 2 352.837 2.596 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2c(F)cccc2Cl)[C@@H]1C ZINC001479707350 1062851053 /nfs/dbraw/zinc/85/10/53/1062851053.db2.gz ZIBWZMOOOQTYQI-IGCXYCKISA-N 1 2 352.837 2.596 20 30 FFEDLO C=C[C@@H](O)c1nnc(N2CCC(Nc3cccc[nH+]3)CC2)n1CC(C)C ZINC001525001280 1063091393 /nfs/dbraw/zinc/09/13/93/1063091393.db2.gz MTKMLIOGJFLEPJ-MRXNPFEDSA-N 1 2 356.474 2.629 20 30 FFEDLO C=CC[C@H]1CCCN(c2nnc(Cc3[nH+]ccn3C)n2C[C@@H]2CCCO2)C1 ZINC001525116785 1063155533 /nfs/dbraw/zinc/15/55/33/1063155533.db2.gz QTYZAQGFMBJUEN-IRXDYDNUSA-N 1 2 370.501 2.574 20 30 FFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(CNc2ncccc2C#N)c1 ZINC001441370662 1063432088 /nfs/dbraw/zinc/43/20/88/1063432088.db2.gz MBOYMHCPCDIYTN-OAHLLOKOSA-N 1 2 360.421 2.580 20 30 FFEDLO N#Cc1ccc(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC001467595802 1063794452 /nfs/dbraw/zinc/79/44/52/1063794452.db2.gz JBBMWNJWYSAUSY-UHFFFAOYSA-N 1 2 351.435 2.864 20 30 FFEDLO N#Cc1ccc2c(c1)C[C@@H](NC(=O)NCc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001468389572 1063978552 /nfs/dbraw/zinc/97/85/52/1063978552.db2.gz MSZZWWTYLRIMEK-IBGZPJMESA-N 1 2 357.417 2.711 20 30 FFEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC001473137275 1065203861 /nfs/dbraw/zinc/20/38/61/1065203861.db2.gz NCHRQLAVBCMAHK-MRXNPFEDSA-N 1 2 367.424 2.675 20 30 FFEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC001473137275 1065203869 /nfs/dbraw/zinc/20/38/69/1065203869.db2.gz NCHRQLAVBCMAHK-MRXNPFEDSA-N 1 2 367.424 2.675 20 30 FFEDLO C#CC[N@H+](Cc1ccccc1)[C@@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC001473454029 1065265790 /nfs/dbraw/zinc/26/57/90/1065265790.db2.gz MWQVYEVDAKECRM-QGZVFWFLSA-N 1 2 368.458 2.775 20 30 FFEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC001473454029 1065265804 /nfs/dbraw/zinc/26/58/04/1065265804.db2.gz MWQVYEVDAKECRM-QGZVFWFLSA-N 1 2 368.458 2.775 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC001473839089 1065386715 /nfs/dbraw/zinc/38/67/15/1065386715.db2.gz RGXVSKOMAOHZAJ-LJQANCHMSA-N 1 2 353.378 2.919 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC001473839089 1065386724 /nfs/dbraw/zinc/38/67/24/1065386724.db2.gz RGXVSKOMAOHZAJ-LJQANCHMSA-N 1 2 353.378 2.919 20 30 FFEDLO C#CCCCCC(=O)N(CCC)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001581704042 1078990580 /nfs/dbraw/zinc/99/05/80/1078990580.db2.gz LMHDIYKSHVIDLH-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO C#CCCCCC(=O)N(CCC)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001581704042 1078990589 /nfs/dbraw/zinc/99/05/89/1078990589.db2.gz LMHDIYKSHVIDLH-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO C=C(C)CCC(=O)N(C)CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001581765544 1078998763 /nfs/dbraw/zinc/99/87/63/1078998763.db2.gz GWBPTEXHXVJCLY-RTBURBONSA-N 1 2 363.546 2.628 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001584711433 1079380606 /nfs/dbraw/zinc/38/06/06/1079380606.db2.gz FEEJNWARAGQHMO-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001584711433 1079380610 /nfs/dbraw/zinc/38/06/10/1079380610.db2.gz FEEJNWARAGQHMO-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO N#C[C@H]1C[C@H]1C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC001556570604 1075754290 /nfs/dbraw/zinc/75/42/90/1075754290.db2.gz FVYUGUKEKGTSMN-HUUCEWRRSA-N 1 2 373.254 2.834 20 30 FFEDLO CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001558353230 1075987199 /nfs/dbraw/zinc/98/71/99/1075987199.db2.gz PNBPVEFUKLVKGY-JKSUJKDBSA-N 1 2 374.485 2.997 20 30 FFEDLO C=CC[C@@H]1CCCN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC001564112672 1076606899 /nfs/dbraw/zinc/60/68/99/1076606899.db2.gz QYFIEPQQRNWQPG-NHCUHLMSSA-N 1 2 371.525 2.928 20 30 FFEDLO C=CCCN(OCc1ccccc1)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC001565374947 1076719993 /nfs/dbraw/zinc/71/99/93/1076719993.db2.gz NQJNNYXPEPKQDF-IBGZPJMESA-N 1 2 361.486 2.817 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2sccc2C)[C@@H]1C ZINC001566090386 1076894988 /nfs/dbraw/zinc/89/49/88/1076894988.db2.gz KYJNAPXPLYNPOB-CVEARBPZSA-N 1 2 363.527 2.608 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2sccc2C)[C@@H]1C ZINC001566090386 1076894993 /nfs/dbraw/zinc/89/49/93/1076894993.db2.gz KYJNAPXPLYNPOB-CVEARBPZSA-N 1 2 363.527 2.608 20 30 FFEDLO Cc1cc(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)nn1CCC#N ZINC001567069770 1076998833 /nfs/dbraw/zinc/99/88/33/1076998833.db2.gz QYKLZSTWAHEESG-UHFFFAOYSA-N 1 2 363.425 2.666 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001567688194 1077044608 /nfs/dbraw/zinc/04/46/08/1077044608.db2.gz JCQWHVQKSRWLPW-YESZJQIVSA-N 1 2 350.894 2.589 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001567688194 1077044612 /nfs/dbraw/zinc/04/46/12/1077044612.db2.gz JCQWHVQKSRWLPW-YESZJQIVSA-N 1 2 350.894 2.589 20 30 FFEDLO C=CCC[C@@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C(=O)OCC ZINC001569186996 1077133815 /nfs/dbraw/zinc/13/38/15/1077133815.db2.gz NFMYUHWBNFKNEQ-DLBZAZTESA-N 1 2 355.438 2.946 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1([NH2+]Cc2ncc(C(C)(C)C)o2)CC1 ZINC001569422370 1077144717 /nfs/dbraw/zinc/14/47/17/1077144717.db2.gz YYLUIIWFXOWBQA-YOEHRIQHSA-N 1 2 361.486 2.692 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001572155469 1077305342 /nfs/dbraw/zinc/30/53/42/1077305342.db2.gz KABNDWGDNPCAQE-BZUAXINKSA-N 1 2 360.502 2.527 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001574106921 1077901722 /nfs/dbraw/zinc/90/17/22/1077901722.db2.gz PZDQGJOMYMFYRI-YLJYHZDGSA-N 1 2 358.486 2.517 20 30 FFEDLO N#Cc1c(Br)cccc1OCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001586808484 1079688911 /nfs/dbraw/zinc/68/89/11/1079688911.db2.gz LYDGNHKRSKREPD-UHFFFAOYSA-N 1 2 371.194 2.986 20 30 FFEDLO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC001588563859 1080100533 /nfs/dbraw/zinc/10/05/33/1080100533.db2.gz CTZNQOOQTJWHNF-GFCCVEGCSA-N 1 2 372.498 2.786 20 30 FFEDLO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC001588563859 1080100537 /nfs/dbraw/zinc/10/05/37/1080100537.db2.gz CTZNQOOQTJWHNF-GFCCVEGCSA-N 1 2 372.498 2.786 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC1CCC(C)CC1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588628214 1080127467 /nfs/dbraw/zinc/12/74/67/1080127467.db2.gz USHZORIUXGDUSZ-UHFFFAOYSA-N 1 2 368.485 2.550 20 30 FFEDLO C=CC[N@H+](CC(=O)NC1CCC(C)CC1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588628214 1080127470 /nfs/dbraw/zinc/12/74/70/1080127470.db2.gz USHZORIUXGDUSZ-UHFFFAOYSA-N 1 2 368.485 2.550 20 30 FFEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001588649053 1080139348 /nfs/dbraw/zinc/13/93/48/1080139348.db2.gz YDNFFXWUPBVCLV-UHFFFAOYSA-N 1 2 359.393 2.571 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@]2(C)CCCS2)CC1 ZINC001588732466 1080175334 /nfs/dbraw/zinc/17/53/34/1080175334.db2.gz BEEKUVNPGJGJQR-IBGZPJMESA-N 1 2 361.559 2.617 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001588742176 1080177885 /nfs/dbraw/zinc/17/78/85/1080177885.db2.gz OYLQEIGJQKMRHK-KZNAEPCWSA-N 1 2 373.545 2.750 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CC2CC(C)(C)C2)CC1 ZINC001588813298 1080205442 /nfs/dbraw/zinc/20/54/42/1080205442.db2.gz WUQWBGQSTGZEOX-GOSISDBHSA-N 1 2 371.529 2.711 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2CC(CC)(CC)OC)CC1 ZINC001588812577 1080205547 /nfs/dbraw/zinc/20/55/47/1080205547.db2.gz SCTZQDWTSWUMAP-UHFFFAOYSA-N 1 2 373.545 2.896 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC=C(c3ccnn3C)CC2)c(C#N)c1C ZINC000285697015 257000161 /nfs/dbraw/zinc/00/01/61/257000161.db2.gz SCQMDGKFEXIYQG-CYBMUJFWSA-N 1 2 353.426 2.618 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3ccnn3C)CC2)c(C#N)c1C ZINC000285697015 257000162 /nfs/dbraw/zinc/00/01/62/257000162.db2.gz SCQMDGKFEXIYQG-CYBMUJFWSA-N 1 2 353.426 2.618 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000105798552 250224180 /nfs/dbraw/zinc/22/41/80/250224180.db2.gz SNXWQMSWRFFDLT-QUCCMNQESA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000105798552 250224183 /nfs/dbraw/zinc/22/41/83/250224183.db2.gz SNXWQMSWRFFDLT-QUCCMNQESA-N 1 2 356.397 2.511 20 30 FFEDLO COC(=O)c1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1ccccc1C#N)CC2 ZINC000271408485 251784315 /nfs/dbraw/zinc/78/43/15/251784315.db2.gz YHDUQWZBJUZDQH-AWEZNQCLSA-N 1 2 363.417 2.730 20 30 FFEDLO COC(=O)c1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C#N)CC2 ZINC000271408485 251784318 /nfs/dbraw/zinc/78/43/18/251784318.db2.gz YHDUQWZBJUZDQH-AWEZNQCLSA-N 1 2 363.417 2.730 20 30 FFEDLO Cc1nc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)ccc1C#N ZINC000272641335 252088235 /nfs/dbraw/zinc/08/82/35/252088235.db2.gz LRWBBUULNJFPSY-SFHVURJKSA-N 1 2 361.405 2.885 20 30 FFEDLO Cc1nc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)ccc1C#N ZINC000272641335 252088239 /nfs/dbraw/zinc/08/82/39/252088239.db2.gz LRWBBUULNJFPSY-SFHVURJKSA-N 1 2 361.405 2.885 20 30 FFEDLO N#Cc1c(N2CC[NH+](Cc3ccc(Cl)nc3)CC2)nc2ccccn12 ZINC000272887232 252157754 /nfs/dbraw/zinc/15/77/54/252157754.db2.gz IMOODPXYSVLHFT-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000277755591 256235325 /nfs/dbraw/zinc/23/53/25/256235325.db2.gz LYGJYXWLOHOTFE-UXIGCNINSA-N 1 2 355.360 2.520 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000277755591 256235326 /nfs/dbraw/zinc/23/53/26/256235326.db2.gz LYGJYXWLOHOTFE-UXIGCNINSA-N 1 2 355.360 2.520 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277755585 256235534 /nfs/dbraw/zinc/23/55/34/256235534.db2.gz LYGJYXWLOHOTFE-KYOSRNDESA-N 1 2 355.360 2.520 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277755585 256235535 /nfs/dbraw/zinc/23/55/35/256235535.db2.gz LYGJYXWLOHOTFE-KYOSRNDESA-N 1 2 355.360 2.520 20 30 FFEDLO N#Cc1cc(C(=O)N(CC[NH+]2CCOCC2)c2ccccc2)ccc1F ZINC000278560194 256325393 /nfs/dbraw/zinc/32/53/93/256325393.db2.gz HMKWPRHORMJTDV-UHFFFAOYSA-N 1 2 353.397 2.676 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCO1 ZINC000278687467 256337801 /nfs/dbraw/zinc/33/78/01/256337801.db2.gz GQYPOPPKPUSUBK-ZBFHGGJFSA-N 1 2 370.457 2.890 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(C#N)c1C ZINC000286357155 257032917 /nfs/dbraw/zinc/03/29/17/257032917.db2.gz FTUYQZJHSSECHP-JKOKRWQUSA-N 1 2 373.375 2.588 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(C#N)c1C ZINC000286357155 257032918 /nfs/dbraw/zinc/03/29/18/257032918.db2.gz FTUYQZJHSSECHP-JKOKRWQUSA-N 1 2 373.375 2.588 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@H](CO)C3)o2)cc1 ZINC000286473086 257038638 /nfs/dbraw/zinc/03/86/38/257038638.db2.gz LADXDCYWVJQPMF-KBPBESRZSA-N 1 2 366.343 2.601 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](C(F)(F)F)[C@H](CO)C3)o2)cc1 ZINC000286473086 257038639 /nfs/dbraw/zinc/03/86/39/257038639.db2.gz LADXDCYWVJQPMF-KBPBESRZSA-N 1 2 366.343 2.601 20 30 FFEDLO CCOCCO[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287790874 257113346 /nfs/dbraw/zinc/11/33/46/257113346.db2.gz NYPAZNWJDIVYEV-INIZCTEOSA-N 1 2 353.260 2.948 20 30 FFEDLO CCOCCO[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287790874 257113348 /nfs/dbraw/zinc/11/33/48/257113348.db2.gz NYPAZNWJDIVYEV-INIZCTEOSA-N 1 2 353.260 2.948 20 30 FFEDLO COCC[N@H+](Cc1ccccn1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000287325710 257083561 /nfs/dbraw/zinc/08/35/61/257083561.db2.gz KGAJPPKPJXUYJU-FQEVSTJZSA-N 1 2 364.449 2.597 20 30 FFEDLO COCC[N@@H+](Cc1ccccn1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000287325710 257083562 /nfs/dbraw/zinc/08/35/62/257083562.db2.gz KGAJPPKPJXUYJU-FQEVSTJZSA-N 1 2 364.449 2.597 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000289378953 257277887 /nfs/dbraw/zinc/27/78/87/257277887.db2.gz PWNLCXXQQUXSTR-UHFFFAOYSA-N 1 2 353.447 2.516 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000289378953 257277888 /nfs/dbraw/zinc/27/78/88/257277888.db2.gz PWNLCXXQQUXSTR-UHFFFAOYSA-N 1 2 353.447 2.516 20 30 FFEDLO C[C@@H]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000293407233 257545234 /nfs/dbraw/zinc/54/52/34/257545234.db2.gz OPLSQYNXUIWKDP-BXUZGUMPSA-N 1 2 363.343 2.892 20 30 FFEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)C1 ZINC000301390297 258046908 /nfs/dbraw/zinc/04/69/08/258046908.db2.gz GDXLGFDLQBJYLQ-MAUKXSAKSA-N 1 2 358.461 2.514 20 30 FFEDLO CC(C)c1nc(N2CCC(Oc3cccc(C#N)c3)CC2)nc(N(C)C)[nH+]1 ZINC000301953441 258077412 /nfs/dbraw/zinc/07/74/12/258077412.db2.gz CVXJQCAGYHZSLJ-UHFFFAOYSA-N 1 2 366.469 2.980 20 30 FFEDLO CC(C)c1nc(N(C)C)nc(N2CCC(Oc3cccc(C#N)c3)CC2)[nH+]1 ZINC000301953441 258077414 /nfs/dbraw/zinc/07/74/14/258077414.db2.gz CVXJQCAGYHZSLJ-UHFFFAOYSA-N 1 2 366.469 2.980 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc4c3OCCO4)CC2)c(F)c1 ZINC000110301121 132246360 /nfs/dbraw/zinc/24/63/60/132246360.db2.gz RXXNIDIHZFIHGL-UHFFFAOYSA-N 1 2 353.397 2.791 20 30 FFEDLO C=CCOc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000032275927 506238296 /nfs/dbraw/zinc/23/82/96/506238296.db2.gz CVOWWEURWDJNFA-OAQYLSRUSA-N 1 2 366.461 2.882 20 30 FFEDLO C=CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000032275927 506238303 /nfs/dbraw/zinc/23/83/03/506238303.db2.gz CVOWWEURWDJNFA-OAQYLSRUSA-N 1 2 366.461 2.882 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CNc3ccccc3Cl)CC2)cc1 ZINC000052855541 506265152 /nfs/dbraw/zinc/26/51/52/506265152.db2.gz PFYYDMIQQAQREY-UHFFFAOYSA-N 1 2 368.868 2.968 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000052920333 506278632 /nfs/dbraw/zinc/27/86/32/506278632.db2.gz HLVYHOXJWAYUFT-UHFFFAOYSA-N 1 2 356.451 2.999 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000052920333 506278638 /nfs/dbraw/zinc/27/86/38/506278638.db2.gz HLVYHOXJWAYUFT-UHFFFAOYSA-N 1 2 356.451 2.999 20 30 FFEDLO CO/N=C/c1ccc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000065653016 506341662 /nfs/dbraw/zinc/34/16/62/506341662.db2.gz CVRDRRNAXMBTOH-KGENOOAVSA-N 1 2 353.422 2.751 20 30 FFEDLO C=CC[C@@]1(C(=O)N2CCn3cc(C)[nH+]c3C2)CCCN1C(=O)OC(C)(C)C ZINC000368992245 512172398 /nfs/dbraw/zinc/17/23/98/512172398.db2.gz XKXYAQDSISOIMA-FQEVSTJZSA-N 1 2 374.485 2.880 20 30 FFEDLO COc1ccccc1[C@@H](NC(=O)c1ccc(F)c(C#N)c1)c1[nH+]ccn1C ZINC000375189181 512203995 /nfs/dbraw/zinc/20/39/95/512203995.db2.gz SZKUBBCEMCZKTQ-GOSISDBHSA-N 1 2 364.380 2.959 20 30 FFEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@@H](O)C2)c1C#N ZINC000039537559 506452125 /nfs/dbraw/zinc/45/21/25/506452125.db2.gz RAXIKOLRPICTIL-QGZVFWFLSA-N 1 2 370.428 2.500 20 30 FFEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@@H](O)C2)c1C#N ZINC000039537559 506452131 /nfs/dbraw/zinc/45/21/31/506452131.db2.gz RAXIKOLRPICTIL-QGZVFWFLSA-N 1 2 370.428 2.500 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(F)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066560248 506552522 /nfs/dbraw/zinc/55/25/22/506552522.db2.gz NHZFZTXOPVPTJC-GFCCVEGCSA-N 1 2 362.264 2.763 20 30 FFEDLO C=CC[N@H+](Cc1ccc(F)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066560248 506552534 /nfs/dbraw/zinc/55/25/34/506552534.db2.gz NHZFZTXOPVPTJC-GFCCVEGCSA-N 1 2 362.264 2.763 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(OCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000066561043 506555150 /nfs/dbraw/zinc/55/51/50/506555150.db2.gz ANWUJLNTBWUZBW-AWEZNQCLSA-N 1 2 363.401 2.803 20 30 FFEDLO C=CC[N@H+](Cc1cccc(OCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000066561043 506555155 /nfs/dbraw/zinc/55/51/55/506555155.db2.gz ANWUJLNTBWUZBW-AWEZNQCLSA-N 1 2 363.401 2.803 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000066869825 506675014 /nfs/dbraw/zinc/67/50/14/506675014.db2.gz OBVXNFCHFHDDCA-CQSZACIVSA-N 1 2 369.856 2.756 20 30 FFEDLO CC[N@H+](CCCNS(=O)(=O)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000016734516 507105886 /nfs/dbraw/zinc/10/58/86/507105886.db2.gz OMNXTGHARWHZRA-UHFFFAOYSA-N 1 2 357.479 2.894 20 30 FFEDLO CC[N@@H+](CCCNS(=O)(=O)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000016734516 507105891 /nfs/dbraw/zinc/10/58/91/507105891.db2.gz OMNXTGHARWHZRA-UHFFFAOYSA-N 1 2 357.479 2.894 20 30 FFEDLO COC(=O)c1ccc(C)c(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046526394 507149762 /nfs/dbraw/zinc/14/97/62/507149762.db2.gz HNAXQCQJRIIFRO-UHFFFAOYSA-N 1 2 351.406 2.724 20 30 FFEDLO COC(=O)c1ccc(C)c(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046526394 507149767 /nfs/dbraw/zinc/14/97/67/507149767.db2.gz HNAXQCQJRIIFRO-UHFFFAOYSA-N 1 2 351.406 2.724 20 30 FFEDLO COc1cc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)cc(OC)c1OC ZINC000046519119 507150752 /nfs/dbraw/zinc/15/07/52/507150752.db2.gz SPSBUOVNCPROEX-UHFFFAOYSA-N 1 2 369.421 2.655 20 30 FFEDLO COc1cc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc(OC)c1OC ZINC000046519119 507150761 /nfs/dbraw/zinc/15/07/61/507150761.db2.gz SPSBUOVNCPROEX-UHFFFAOYSA-N 1 2 369.421 2.655 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccn(-c4ccccc4)n3)CC2)cc1 ZINC000046699378 507176936 /nfs/dbraw/zinc/17/69/36/507176936.db2.gz CEYYUHQAAQUMPY-UHFFFAOYSA-N 1 2 371.444 2.702 20 30 FFEDLO N#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1ccc(Cl)c(Cl)c1 ZINC000068457406 507239100 /nfs/dbraw/zinc/23/91/00/507239100.db2.gz JACWFWHQADENET-AWEZNQCLSA-N 1 2 373.203 2.964 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)C3(C#N)CCCCC3)c[nH+]2)C[C@@H](C)O1 ZINC000057388440 507254039 /nfs/dbraw/zinc/25/40/39/507254039.db2.gz JGXRPYUUJRRYKH-HZPDHXFCSA-N 1 2 356.470 2.785 20 30 FFEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000022781616 507309668 /nfs/dbraw/zinc/30/96/68/507309668.db2.gz CWOYALJHNWFXJB-CEXWTWQISA-N 1 2 368.525 2.854 20 30 FFEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781616 507309672 /nfs/dbraw/zinc/30/96/72/507309672.db2.gz CWOYALJHNWFXJB-CEXWTWQISA-N 1 2 368.525 2.854 20 30 FFEDLO Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781817 507309682 /nfs/dbraw/zinc/30/96/82/507309682.db2.gz VBUTXPKTCCJIAT-UHFFFAOYSA-N 1 2 362.477 2.931 20 30 FFEDLO C[C@@H](NC(=O)C[NH+]1CCC(C#N)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000057873262 507346236 /nfs/dbraw/zinc/34/62/36/507346236.db2.gz QWICORYKMFDWAW-GFCCVEGCSA-N 1 2 355.360 2.998 20 30 FFEDLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[NH+]2CCC(C#N)CC2)c1 ZINC000057906476 507351146 /nfs/dbraw/zinc/35/11/46/507351146.db2.gz OWQQXWQCSDAASG-SFHVURJKSA-N 1 2 357.454 2.603 20 30 FFEDLO CCc1cccc(C)c1NC(=O)CO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000060552796 507561357 /nfs/dbraw/zinc/56/13/57/507561357.db2.gz VFAJIKLUODBMSO-UHFFFAOYSA-N 1 2 371.437 2.850 20 30 FFEDLO Cc1ccsc1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000026177721 507563876 /nfs/dbraw/zinc/56/38/76/507563876.db2.gz BMMGVAKSVCTNAR-UHFFFAOYSA-N 1 2 354.479 2.956 20 30 FFEDLO CCOC(=O)c1ccccc1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026323684 507576383 /nfs/dbraw/zinc/57/63/83/507576383.db2.gz WLARGODJCHBNPC-UHFFFAOYSA-N 1 2 351.406 2.805 20 30 FFEDLO CCOC(=O)c1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026323684 507576393 /nfs/dbraw/zinc/57/63/93/507576393.db2.gz WLARGODJCHBNPC-UHFFFAOYSA-N 1 2 351.406 2.805 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000026462376 507590275 /nfs/dbraw/zinc/59/02/75/507590275.db2.gz ZDUYWVXMFZPGRL-CQSZACIVSA-N 1 2 356.253 2.699 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000026462376 507590280 /nfs/dbraw/zinc/59/02/80/507590280.db2.gz ZDUYWVXMFZPGRL-CQSZACIVSA-N 1 2 356.253 2.699 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000028094416 507709854 /nfs/dbraw/zinc/70/98/54/507709854.db2.gz DABAOWXAHNFXJE-HNNXBMFYSA-N 1 2 355.463 2.731 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051180216 507747400 /nfs/dbraw/zinc/74/74/00/507747400.db2.gz HYLCEBXNAFNJFW-UHFFFAOYSA-N 1 2 370.384 2.807 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(C#N)cc1 ZINC000063754452 507767616 /nfs/dbraw/zinc/76/76/16/507767616.db2.gz OOYLTQGVYBXWTG-UHFFFAOYSA-N 1 2 359.376 2.924 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(C#N)cc1 ZINC000063754452 507767619 /nfs/dbraw/zinc/76/76/19/507767619.db2.gz OOYLTQGVYBXWTG-UHFFFAOYSA-N 1 2 359.376 2.924 20 30 FFEDLO CC(C)N(C(=O)[C@H](C)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1)C(C)C ZINC000029249693 507771361 /nfs/dbraw/zinc/77/13/61/507771361.db2.gz YMACTLNSGNLVAJ-HNNXBMFYSA-N 1 2 373.501 2.580 20 30 FFEDLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000029862860 507793927 /nfs/dbraw/zinc/79/39/27/507793927.db2.gz UNHMQIHZOLRKJB-KRWDZBQOSA-N 1 2 373.840 2.522 20 30 FFEDLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000029862860 507793930 /nfs/dbraw/zinc/79/39/30/507793930.db2.gz UNHMQIHZOLRKJB-KRWDZBQOSA-N 1 2 373.840 2.522 20 30 FFEDLO Cc1cc(N2CCN(C(=O)c3sccc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000052034237 507794693 /nfs/dbraw/zinc/79/46/93/507794693.db2.gz CYNCWZHTNGFCBP-UHFFFAOYSA-N 1 2 355.467 2.804 20 30 FFEDLO N#CCOc1ccc(/C=C/C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000030012343 507800460 /nfs/dbraw/zinc/80/04/60/507800460.db2.gz QTGMPFYBNBCCCX-VMPITWQZSA-N 1 2 362.433 2.914 20 30 FFEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000072515244 507801587 /nfs/dbraw/zinc/80/15/87/507801587.db2.gz KZQOMSYAHTWKEN-SFHVURJKSA-N 1 2 367.497 2.990 20 30 FFEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000072515244 507801588 /nfs/dbraw/zinc/80/15/88/507801588.db2.gz KZQOMSYAHTWKEN-SFHVURJKSA-N 1 2 367.497 2.990 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000369346094 512361888 /nfs/dbraw/zinc/36/18/88/512361888.db2.gz BSIZRRKEEGWSQT-CYBMUJFWSA-N 1 2 364.858 2.513 20 30 FFEDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000072630941 507834153 /nfs/dbraw/zinc/83/41/53/507834153.db2.gz JXHLRZUABCRLFM-ZDUSSCGKSA-N 1 2 371.441 2.953 20 30 FFEDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000072630941 507834156 /nfs/dbraw/zinc/83/41/56/507834156.db2.gz JXHLRZUABCRLFM-ZDUSSCGKSA-N 1 2 371.441 2.953 20 30 FFEDLO N#CCN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C1CCCC1 ZINC000078208218 507846195 /nfs/dbraw/zinc/84/61/95/507846195.db2.gz IUTRLJIHZYNLAK-UHFFFAOYSA-N 1 2 365.437 2.820 20 30 FFEDLO C[C@H](C(=O)NCc1cccs1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078269239 507853101 /nfs/dbraw/zinc/85/31/01/507853101.db2.gz WSDUEOYFKMJXGO-APWZRJJASA-N 1 2 368.506 2.635 20 30 FFEDLO N#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)nc1 ZINC000107546202 507856944 /nfs/dbraw/zinc/85/69/44/507856944.db2.gz UJRGBDPSKAOQFR-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO N#Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)nc1 ZINC000107546202 507856946 /nfs/dbraw/zinc/85/69/46/507856946.db2.gz UJRGBDPSKAOQFR-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000078616226 507889893 /nfs/dbraw/zinc/88/98/93/507889893.db2.gz AAVAQLYOWVDQKQ-FCHUYYIVSA-N 1 2 374.488 2.889 20 30 FFEDLO CCc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3C#N)CC2)cc1 ZINC000108715273 507913806 /nfs/dbraw/zinc/91/38/06/507913806.db2.gz GBIRQGYUNFTPMI-UHFFFAOYSA-N 1 2 363.461 2.957 20 30 FFEDLO C=CCOc1ccccc1CNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000377637117 512370159 /nfs/dbraw/zinc/37/01/59/512370159.db2.gz OEGIGLXAVHMPAL-UHFFFAOYSA-N 1 2 363.421 2.832 20 30 FFEDLO C=CCCC[C@@H](C)[NH+]1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000091578109 507993389 /nfs/dbraw/zinc/99/33/89/507993389.db2.gz HCXVOKSLTBPVLA-MRXNPFEDSA-N 1 2 364.511 2.593 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1C#N ZINC000080157723 508045768 /nfs/dbraw/zinc/04/57/68/508045768.db2.gz FFYDFQBTTWYTHX-MRXNPFEDSA-N 1 2 368.462 2.510 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1C#N ZINC000080157723 508045770 /nfs/dbraw/zinc/04/57/70/508045770.db2.gz FFYDFQBTTWYTHX-MRXNPFEDSA-N 1 2 368.462 2.510 20 30 FFEDLO CCCOc1cc(C)ccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000080169812 508047021 /nfs/dbraw/zinc/04/70/21/508047021.db2.gz SJLMTINDFSXNBC-UHFFFAOYSA-N 1 2 374.485 2.864 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OC)c(OCCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361499 508064644 /nfs/dbraw/zinc/06/46/44/508064644.db2.gz YNMOWNFWASDVMK-INIZCTEOSA-N 1 2 353.484 2.659 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OC)c(OCCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361499 508064646 /nfs/dbraw/zinc/06/46/46/508064646.db2.gz YNMOWNFWASDVMK-INIZCTEOSA-N 1 2 353.484 2.659 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCN(c4nccs4)CC3)o2)cc1 ZINC000075648604 508125871 /nfs/dbraw/zinc/12/58/71/508125871.db2.gz AXRQWRUEFFTXDB-UHFFFAOYSA-N 1 2 366.450 2.777 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCCN(c4nccs4)CC3)o2)cc1 ZINC000075648604 508125875 /nfs/dbraw/zinc/12/58/75/508125875.db2.gz AXRQWRUEFFTXDB-UHFFFAOYSA-N 1 2 366.450 2.777 20 30 FFEDLO Cc1nsc(N2CCC[N@H+](Cc3cn4ccccc4c3C#N)CC2)n1 ZINC000075967283 508147307 /nfs/dbraw/zinc/14/73/07/508147307.db2.gz AALFSCWRBQKFFT-UHFFFAOYSA-N 1 2 352.467 2.683 20 30 FFEDLO Cc1nsc(N2CCC[N@@H+](Cc3cn4ccccc4c3C#N)CC2)n1 ZINC000075967283 508147309 /nfs/dbraw/zinc/14/73/09/508147309.db2.gz AALFSCWRBQKFFT-UHFFFAOYSA-N 1 2 352.467 2.683 20 30 FFEDLO Cc1ccc(OCC[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000081512381 508183656 /nfs/dbraw/zinc/18/36/56/508183656.db2.gz KMGFMDKYJDSCQD-UHFFFAOYSA-N 1 2 358.463 2.651 20 30 FFEDLO Cc1ccc(OCC[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000081512381 508183658 /nfs/dbraw/zinc/18/36/58/508183658.db2.gz KMGFMDKYJDSCQD-UHFFFAOYSA-N 1 2 358.463 2.651 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c(C#N)c1C ZINC000377660835 512382495 /nfs/dbraw/zinc/38/24/95/512382495.db2.gz ACYVFVRGQKCBFK-ZBFHGGJFSA-N 1 2 372.469 2.572 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c(C#N)c1C ZINC000377660835 512382496 /nfs/dbraw/zinc/38/24/96/512382496.db2.gz ACYVFVRGQKCBFK-ZBFHGGJFSA-N 1 2 372.469 2.572 20 30 FFEDLO C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101729712 508255303 /nfs/dbraw/zinc/25/53/03/508255303.db2.gz BSFKJGXVGCQEAP-INIZCTEOSA-N 1 2 366.440 2.871 20 30 FFEDLO Cc1cc2[nH+]cn(C[C@H](O)COc3ccc(C#N)cc3[N+](=O)[O-])c2cc1C ZINC000084926178 508297461 /nfs/dbraw/zinc/29/74/61/508297461.db2.gz DMJHGDOWHQWJNW-HNNXBMFYSA-N 1 2 366.377 2.873 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000077385885 508308642 /nfs/dbraw/zinc/30/86/42/508308642.db2.gz HTHKUMDPJPTEOS-UHFFFAOYSA-N 1 2 370.478 2.731 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCCN(C(=O)CC)CC1 ZINC000077390181 508309447 /nfs/dbraw/zinc/30/94/47/508309447.db2.gz DMGAVFHGRDZZGM-INIZCTEOSA-N 1 2 363.527 2.596 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCCN(C(=O)CC)CC1 ZINC000077390181 508309450 /nfs/dbraw/zinc/30/94/50/508309450.db2.gz DMGAVFHGRDZZGM-INIZCTEOSA-N 1 2 363.527 2.596 20 30 FFEDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3ccc(C#N)c(Cl)c3)cn2c1 ZINC000077620402 508341949 /nfs/dbraw/zinc/34/19/49/508341949.db2.gz GDIADMWOWPKVEQ-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105016358 508356788 /nfs/dbraw/zinc/35/67/88/508356788.db2.gz XJYNNVSTOLWXJJ-LSDHHAIUSA-N 1 2 360.458 2.576 20 30 FFEDLO N#Cc1ccc([C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)C(N)=O)cc1 ZINC000115597047 508416100 /nfs/dbraw/zinc/41/61/00/508416100.db2.gz QDCVMUGNSJIUKP-INIZCTEOSA-N 1 2 363.339 2.816 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2COc2ccccc2)c1 ZINC000156749342 508472027 /nfs/dbraw/zinc/47/20/27/508472027.db2.gz GEOHQSGMZKALCW-SFHVURJKSA-N 1 2 370.474 2.875 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2COc2ccccc2)c1 ZINC000156749342 508472028 /nfs/dbraw/zinc/47/20/28/508472028.db2.gz GEOHQSGMZKALCW-SFHVURJKSA-N 1 2 370.474 2.875 20 30 FFEDLO CCN(CC)c1ncc(C[NH+]2CCN(c3ncccc3C#N)CC2)s1 ZINC000122901380 508604955 /nfs/dbraw/zinc/60/49/55/508604955.db2.gz FHVNTNITMJVDPZ-UHFFFAOYSA-N 1 2 356.499 2.578 20 30 FFEDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000135562642 508623998 /nfs/dbraw/zinc/62/39/98/508623998.db2.gz XJEQRZBMYZBCTH-INIZCTEOSA-N 1 2 357.845 2.893 20 30 FFEDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000135562642 508624002 /nfs/dbraw/zinc/62/40/02/508624002.db2.gz XJEQRZBMYZBCTH-INIZCTEOSA-N 1 2 357.845 2.893 20 30 FFEDLO CC(C)CO[C@@H](C)c1noc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)n1 ZINC000158148948 508663270 /nfs/dbraw/zinc/66/32/70/508663270.db2.gz SILLKNZZHNJLNE-LBPRGKRZSA-N 1 2 360.414 2.575 20 30 FFEDLO CC(C)CO[C@H](C)c1noc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)n1 ZINC000158149081 508663593 /nfs/dbraw/zinc/66/35/93/508663593.db2.gz SILLKNZZHNJLNE-GFCCVEGCSA-N 1 2 360.414 2.575 20 30 FFEDLO CCc1noc([C@@H](C)O[NH+]=C(N)c2cccc(Cn3nc(C)cc3C)c2)n1 ZINC000123435803 508686877 /nfs/dbraw/zinc/68/68/77/508686877.db2.gz FCCXPRLACMADMX-CQSZACIVSA-N 1 2 368.441 2.892 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c(F)c1 ZINC000136411431 508693520 /nfs/dbraw/zinc/69/35/20/508693520.db2.gz GPBMUAJUIQJBJH-HXUWFJFHSA-N 1 2 367.424 2.995 20 30 FFEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000129331507 508714135 /nfs/dbraw/zinc/71/41/35/508714135.db2.gz XEXQYSDDQIBCJK-KRWDZBQOSA-N 1 2 354.406 2.949 20 30 FFEDLO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)s3)CC2)nc1 ZINC000129624919 508747661 /nfs/dbraw/zinc/74/76/61/508747661.db2.gz IYBCDIMMYSUBHN-UHFFFAOYSA-N 1 2 356.451 2.514 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000119322676 508773153 /nfs/dbraw/zinc/77/31/53/508773153.db2.gz LWCBZYQBQVZVLE-UHFFFAOYSA-N 1 2 365.437 2.762 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccc(F)cc3)CC2)s1 ZINC000119399920 508788755 /nfs/dbraw/zinc/78/87/55/508788755.db2.gz WXOZNMWTEGQVBJ-UHFFFAOYSA-N 1 2 358.442 2.515 20 30 FFEDLO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000139479274 508790112 /nfs/dbraw/zinc/79/01/12/508790112.db2.gz KJFNIBKMOGMFBX-SFHVURJKSA-N 1 2 354.498 2.848 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2CCOC(C)(C)C2)CC1=O ZINC000124181189 508794153 /nfs/dbraw/zinc/79/41/53/508794153.db2.gz QQRWMPHLCDEONK-CYBMUJFWSA-N 1 2 354.454 2.604 20 30 FFEDLO CN(C(=O)C[N@H+](C)Cc1cn(C)nc1C(F)(F)F)C1(C#N)CCCCC1 ZINC000154991525 508898726 /nfs/dbraw/zinc/89/87/26/508898726.db2.gz LHMUXAPOQPZUPV-UHFFFAOYSA-N 1 2 371.407 2.556 20 30 FFEDLO CN(C(=O)C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F)C1(C#N)CCCCC1 ZINC000154991525 508898730 /nfs/dbraw/zinc/89/87/30/508898730.db2.gz LHMUXAPOQPZUPV-UHFFFAOYSA-N 1 2 371.407 2.556 20 30 FFEDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3F)CC2)c1 ZINC000151021127 508941947 /nfs/dbraw/zinc/94/19/47/508941947.db2.gz QWSOTRYRTSESOU-UHFFFAOYSA-N 1 2 373.453 2.512 20 30 FFEDLO C=C(C)COc1cc(C[NH+]2CCN(Cc3nc(C)no3)CC2)ccc1OC ZINC000125382063 508974690 /nfs/dbraw/zinc/97/46/90/508974690.db2.gz FGTWUAJITAHPRD-UHFFFAOYSA-N 1 2 372.469 2.659 20 30 FFEDLO C[C@@H]([NH2+][C@H](C)c1cn(-c2ccccc2)nn1)C(=O)Nc1ccccc1C#N ZINC000151221524 508981266 /nfs/dbraw/zinc/98/12/66/508981266.db2.gz JYNIRQJODPHIIJ-HUUCEWRRSA-N 1 2 360.421 2.817 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155365722 508986818 /nfs/dbraw/zinc/98/68/18/508986818.db2.gz VSWANOADMNTFLI-NSHDSACASA-N 1 2 365.359 2.770 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155365722 508986821 /nfs/dbraw/zinc/98/68/21/508986821.db2.gz VSWANOADMNTFLI-NSHDSACASA-N 1 2 365.359 2.770 20 30 FFEDLO COc1ccc(Cl)cc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155591543 509033508 /nfs/dbraw/zinc/03/35/08/509033508.db2.gz DYMDQCUWEOHTRF-ZDUSSCGKSA-N 1 2 357.845 2.721 20 30 FFEDLO COc1ccc(Cl)cc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155591543 509033511 /nfs/dbraw/zinc/03/35/11/509033511.db2.gz DYMDQCUWEOHTRF-ZDUSSCGKSA-N 1 2 357.845 2.721 20 30 FFEDLO N#CCC[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000160874346 509042377 /nfs/dbraw/zinc/04/23/77/509042377.db2.gz IFHVALCGXVFTOI-FQEVSTJZSA-N 1 2 363.465 2.954 20 30 FFEDLO COc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)ccc1SC ZINC000155688891 509052785 /nfs/dbraw/zinc/05/27/85/509052785.db2.gz WEYNGWOUOFOYQB-CQSZACIVSA-N 1 2 369.494 2.789 20 30 FFEDLO COc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)ccc1SC ZINC000155688891 509052788 /nfs/dbraw/zinc/05/27/88/509052788.db2.gz WEYNGWOUOFOYQB-CQSZACIVSA-N 1 2 369.494 2.789 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000121186970 509147270 /nfs/dbraw/zinc/14/72/70/509147270.db2.gz ANUPLYNYSJHJPM-SJORKVTESA-N 1 2 358.463 2.953 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000121186970 509147271 /nfs/dbraw/zinc/14/72/71/509147271.db2.gz ANUPLYNYSJHJPM-SJORKVTESA-N 1 2 358.463 2.953 20 30 FFEDLO CC(C)(C)OC(=O)C1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000263869547 509196709 /nfs/dbraw/zinc/19/67/09/509196709.db2.gz DXVYTMMCNPOAEG-GOSISDBHSA-N 1 2 369.465 2.717 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000179117784 509271226 /nfs/dbraw/zinc/27/12/26/509271226.db2.gz GMJPSIIEEGZJQP-UHFFFAOYSA-N 1 2 368.458 2.827 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000179117784 509271233 /nfs/dbraw/zinc/27/12/33/509271233.db2.gz GMJPSIIEEGZJQP-UHFFFAOYSA-N 1 2 368.458 2.827 20 30 FFEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCc4ccccc4NC3=O)CC2)c(F)c1 ZINC000191980562 509274966 /nfs/dbraw/zinc/27/49/66/509274966.db2.gz UUQCMKAAWBBCFT-HXUWFJFHSA-N 1 2 364.424 2.773 20 30 FFEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)C#Cc3ccccc3)CCCC2)no1 ZINC000266979635 509288203 /nfs/dbraw/zinc/28/82/03/509288203.db2.gz PKAOMTITNWYCQI-UHFFFAOYSA-N 1 2 366.465 2.849 20 30 FFEDLO COc1ccc(Cl)c(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000192068708 509329804 /nfs/dbraw/zinc/32/98/04/509329804.db2.gz BDUHORGLQIVYPG-CYBMUJFWSA-N 1 2 357.845 2.721 20 30 FFEDLO COc1ccc(Cl)c(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000192068708 509329809 /nfs/dbraw/zinc/32/98/09/509329809.db2.gz BDUHORGLQIVYPG-CYBMUJFWSA-N 1 2 357.845 2.721 20 30 FFEDLO CCOc1ccc([C@H](C)NC(=O)C[N@H+](CCC#N)CC2CC2)cc1OC ZINC000267063017 509330108 /nfs/dbraw/zinc/33/01/08/509330108.db2.gz JCTMZHIJGFYWJK-HNNXBMFYSA-N 1 2 359.470 2.897 20 30 FFEDLO CCOc1ccc([C@H](C)NC(=O)C[N@@H+](CCC#N)CC2CC2)cc1OC ZINC000267063017 509330113 /nfs/dbraw/zinc/33/01/13/509330113.db2.gz JCTMZHIJGFYWJK-HNNXBMFYSA-N 1 2 359.470 2.897 20 30 FFEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000164221647 509477644 /nfs/dbraw/zinc/47/76/44/509477644.db2.gz RVNVSRZSVZOVLI-IBGZPJMESA-N 1 2 351.406 2.666 20 30 FFEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000164221647 509477646 /nfs/dbraw/zinc/47/76/46/509477646.db2.gz RVNVSRZSVZOVLI-IBGZPJMESA-N 1 2 351.406 2.666 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCCN(CCC)C(=O)C1 ZINC000189365400 509541020 /nfs/dbraw/zinc/54/10/20/509541020.db2.gz JEUYQMWSUGVDKE-INIZCTEOSA-N 1 2 363.527 2.596 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCCN(CCC)C(=O)C1 ZINC000189365400 509541025 /nfs/dbraw/zinc/54/10/25/509541025.db2.gz JEUYQMWSUGVDKE-INIZCTEOSA-N 1 2 363.527 2.596 20 30 FFEDLO CC1(C)OCc2cc(C[NH+]3CCN(c4ncccc4C#N)CC3)ccc2O1 ZINC000186251370 509602235 /nfs/dbraw/zinc/60/22/35/509602235.db2.gz VHBDWBUCFDAWIS-UHFFFAOYSA-N 1 2 364.449 2.921 20 30 FFEDLO C=CC[N@@H+](CCOc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000264569773 509605060 /nfs/dbraw/zinc/60/50/60/509605060.db2.gz QVYKHTNRUYDRQK-AWEZNQCLSA-N 1 2 374.300 2.503 20 30 FFEDLO C=CC[N@H+](CCOc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000264569773 509605068 /nfs/dbraw/zinc/60/50/68/509605068.db2.gz QVYKHTNRUYDRQK-AWEZNQCLSA-N 1 2 374.300 2.503 20 30 FFEDLO Cc1nc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)ccc1C#N ZINC000176620343 509613802 /nfs/dbraw/zinc/61/38/02/509613802.db2.gz KUPKZVKJEZPFGL-HNNXBMFYSA-N 1 2 352.413 2.920 20 30 FFEDLO CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000176968731 509790018 /nfs/dbraw/zinc/79/00/18/509790018.db2.gz ZJCKAKWHVANRPB-UHFFFAOYSA-N 1 2 373.416 2.556 20 30 FFEDLO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000250571598 509801162 /nfs/dbraw/zinc/80/11/62/509801162.db2.gz XHDAJLPDISNALN-ZBFHGGJFSA-N 1 2 374.485 2.723 20 30 FFEDLO CCCCNC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000250571598 509801171 /nfs/dbraw/zinc/80/11/71/509801171.db2.gz XHDAJLPDISNALN-ZBFHGGJFSA-N 1 2 374.485 2.723 20 30 FFEDLO Cc1nc(C(F)(F)F)c(CN(CCC#N)CC[NH+]2CCOCC2)s1 ZINC000183601921 509880292 /nfs/dbraw/zinc/88/02/92/509880292.db2.gz HYCNDXFFMYQHQH-UHFFFAOYSA-N 1 2 362.421 2.518 20 30 FFEDLO CO[C@H](C)c1nc(CO[NH+]=C(N)COc2cc(F)cc(F)c2)cs1 ZINC000186839563 509909359 /nfs/dbraw/zinc/90/93/59/509909359.db2.gz BXQFSBMYQIETNE-SECBINFHSA-N 1 2 357.382 2.997 20 30 FFEDLO Cc1nc(CN2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)no1 ZINC000177164910 509912241 /nfs/dbraw/zinc/91/22/41/509912241.db2.gz VSJVNPJTXMZKGE-UHFFFAOYSA-N 1 2 364.371 2.566 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000268515041 509980938 /nfs/dbraw/zinc/98/09/38/509980938.db2.gz SVCMCYOMHUALBP-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO CCc1ccc([C@H]2C[N@H+](C[C@H](O)COc3ccc(C#N)cc3)CCO2)cc1 ZINC000190278230 510040994 /nfs/dbraw/zinc/04/09/94/510040994.db2.gz IYFHGTVLUVSWKN-RBBKRZOGSA-N 1 2 366.461 2.934 20 30 FFEDLO CCc1ccc([C@H]2C[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)CCO2)cc1 ZINC000190278230 510041002 /nfs/dbraw/zinc/04/10/02/510041002.db2.gz IYFHGTVLUVSWKN-RBBKRZOGSA-N 1 2 366.461 2.934 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000245708521 510099752 /nfs/dbraw/zinc/09/97/52/510099752.db2.gz ORODRRZXSUNGFQ-NVXWUHKLSA-N 1 2 372.431 2.723 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000245708521 510099754 /nfs/dbraw/zinc/09/97/54/510099754.db2.gz ORODRRZXSUNGFQ-NVXWUHKLSA-N 1 2 372.431 2.723 20 30 FFEDLO N#Cc1cc(Cl)ccc1CN1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000187238463 510142772 /nfs/dbraw/zinc/14/27/72/510142772.db2.gz MTNAYUWMYYNRLZ-UHFFFAOYSA-N 1 2 374.916 2.778 20 30 FFEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(C#N)c(C)n3)CC2)c1 ZINC000171587848 510239562 /nfs/dbraw/zinc/23/95/62/510239562.db2.gz SVVYHYKZKJHFFU-MRXNPFEDSA-N 1 2 364.449 2.789 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)C[C@H](O)C(F)(F)F)c1 ZINC000181313323 510350766 /nfs/dbraw/zinc/35/07/66/510350766.db2.gz ZTVDYUMRTXYGSU-ZBFHGGJFSA-N 1 2 371.403 2.794 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C(F)(F)F)c1 ZINC000181313323 510350771 /nfs/dbraw/zinc/35/07/71/510350771.db2.gz ZTVDYUMRTXYGSU-ZBFHGGJFSA-N 1 2 371.403 2.794 20 30 FFEDLO Cc1ncc(C[NH+]2CCN(C(=O)Nc3cc(C#N)ccc3C)CC2)s1 ZINC000171892108 510434304 /nfs/dbraw/zinc/43/43/04/510434304.db2.gz HJQBVEALDFDOSI-UHFFFAOYSA-N 1 2 355.467 2.981 20 30 FFEDLO CC1(C)C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC2(CCCC2)O1 ZINC000190968733 510440975 /nfs/dbraw/zinc/44/09/75/510440975.db2.gz KMYPNQDCLMGDDP-UHFFFAOYSA-N 1 2 362.495 2.756 20 30 FFEDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC2(CCCC2)O1 ZINC000190968733 510440983 /nfs/dbraw/zinc/44/09/83/510440983.db2.gz KMYPNQDCLMGDDP-UHFFFAOYSA-N 1 2 362.495 2.756 20 30 FFEDLO CC[C@@H](C)NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000178154871 510461804 /nfs/dbraw/zinc/46/18/04/510461804.db2.gz UUPWQKZIPZPTGQ-CABCVRRESA-N 1 2 370.453 2.601 20 30 FFEDLO Cc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000178394576 510580540 /nfs/dbraw/zinc/58/05/40/510580540.db2.gz JMCHUDYKERXGFL-UHFFFAOYSA-N 1 2 369.490 2.682 20 30 FFEDLO Cc1c(C#N)cccc1NC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000178564596 510665018 /nfs/dbraw/zinc/66/50/18/510665018.db2.gz UEDJBYPWEVJMQR-CQSZACIVSA-N 1 2 365.437 2.809 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C/c3ccc(Cl)nc3)CC2)cc1 ZINC000270252742 510736300 /nfs/dbraw/zinc/73/63/00/510736300.db2.gz VIOHNQKGQIDYBD-SOFGYWHQSA-N 1 2 366.852 2.964 20 30 FFEDLO COCCOc1ccc(C#N)cc1NCc1ccc(N(C)CCOC)[nH+]c1 ZINC000191589467 510740681 /nfs/dbraw/zinc/74/06/81/510740681.db2.gz KCEUCKFCXFCNHT-UHFFFAOYSA-N 1 2 370.453 2.673 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+](C)C[C@H]2OCCc3ccccc32)c(C#N)c1C ZINC000263676113 510783102 /nfs/dbraw/zinc/78/31/02/510783102.db2.gz HFMQBJOQWQQSGP-GOSISDBHSA-N 1 2 353.422 2.952 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+](C)C[C@H]2OCCc3ccccc32)c(C#N)c1C ZINC000263676113 510783108 /nfs/dbraw/zinc/78/31/08/510783108.db2.gz HFMQBJOQWQQSGP-GOSISDBHSA-N 1 2 353.422 2.952 20 30 FFEDLO CC(=O)CC(C)(C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000191688417 510786857 /nfs/dbraw/zinc/78/68/57/510786857.db2.gz YGGBAMDDXJMHDH-UHFFFAOYSA-N 1 2 355.482 2.988 20 30 FFEDLO CC(=O)CC(C)(C)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000191688417 510786862 /nfs/dbraw/zinc/78/68/62/510786862.db2.gz YGGBAMDDXJMHDH-UHFFFAOYSA-N 1 2 355.482 2.988 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OCC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000178858252 510807205 /nfs/dbraw/zinc/80/72/05/510807205.db2.gz SUXGPKKUQVQALD-MRXNPFEDSA-N 1 2 353.484 2.659 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OCC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000178858252 510807214 /nfs/dbraw/zinc/80/72/14/510807214.db2.gz SUXGPKKUQVQALD-MRXNPFEDSA-N 1 2 353.484 2.659 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000185419316 510840495 /nfs/dbraw/zinc/84/04/95/510840495.db2.gz QWLGQNBMHMQVTK-XACMVJRISA-N 1 2 367.540 2.718 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000185419316 510840496 /nfs/dbraw/zinc/84/04/96/510840496.db2.gz QWLGQNBMHMQVTK-XACMVJRISA-N 1 2 367.540 2.718 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)[C@H]1C ZINC000329924208 510878149 /nfs/dbraw/zinc/87/81/49/510878149.db2.gz HNIIBTLVIAHWRV-XAJHFOFHSA-N 1 2 365.497 2.661 20 30 FFEDLO CCN1CCN([C@@H](C)C(=O)Nc2nc(C)c(C)s2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329925537 510878980 /nfs/dbraw/zinc/87/89/80/510878980.db2.gz VNEBWEJWRJHOMN-JSGCOSHPSA-N 1 2 362.503 2.838 20 30 FFEDLO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)NC[C@H]1CCCCO1 ZINC000329930229 510879625 /nfs/dbraw/zinc/87/96/25/510879625.db2.gz ZKFJHSJHXZVQRU-SOUVJXGZSA-N 1 2 355.479 2.733 20 30 FFEDLO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)NC[C@H]1CCCCO1 ZINC000329930229 510879631 /nfs/dbraw/zinc/87/96/31/510879631.db2.gz ZKFJHSJHXZVQRU-SOUVJXGZSA-N 1 2 355.479 2.733 20 30 FFEDLO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000329956008 510885342 /nfs/dbraw/zinc/88/53/42/510885342.db2.gz PHPNDDYCUKQEOG-WMZOPIPTSA-N 1 2 355.486 2.562 20 30 FFEDLO Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000329956008 510885346 /nfs/dbraw/zinc/88/53/46/510885346.db2.gz PHPNDDYCUKQEOG-WMZOPIPTSA-N 1 2 355.486 2.562 20 30 FFEDLO Cc1c2ccccc2n(C)c1CNC([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329958629 510886532 /nfs/dbraw/zinc/88/65/32/510886532.db2.gz QRMYCAKWCWDMJF-HNNXBMFYSA-N 1 2 351.454 2.949 20 30 FFEDLO Cc1cc(C)c(CCNC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000329961559 510886809 /nfs/dbraw/zinc/88/68/09/510886809.db2.gz OQFZKCHAXYKRCP-LJQANCHMSA-N 1 2 369.513 2.791 20 30 FFEDLO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)c1cc2n(n1)CCCO2 ZINC000329978319 510892450 /nfs/dbraw/zinc/89/24/50/510892450.db2.gz HHYIENNHDKHRCI-STQMWFEESA-N 1 2 364.446 2.644 20 30 FFEDLO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)c1cc2n(n1)CCCO2 ZINC000329978319 510892455 /nfs/dbraw/zinc/89/24/55/510892455.db2.gz HHYIENNHDKHRCI-STQMWFEESA-N 1 2 364.446 2.644 20 30 FFEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@H]2CCCS2)on1 ZINC000329983155 510894101 /nfs/dbraw/zinc/89/41/01/510894101.db2.gz PJMHYVFOPPFXLA-OFQRWUPVSA-N 1 2 370.494 2.637 20 30 FFEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@H]2CCCS2)on1 ZINC000329983155 510894106 /nfs/dbraw/zinc/89/41/06/510894106.db2.gz PJMHYVFOPPFXLA-OFQRWUPVSA-N 1 2 370.494 2.637 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@@H]1CCC[C@@H]3OCC[C@@H]31)C2 ZINC000329991579 510895317 /nfs/dbraw/zinc/89/53/17/510895317.db2.gz XCDYIUREPSCVFJ-JJXSEGSLSA-N 1 2 360.502 2.957 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@@H]1CCC[C@@H]3OCC[C@@H]31)C2 ZINC000329991579 510895324 /nfs/dbraw/zinc/89/53/24/510895324.db2.gz XCDYIUREPSCVFJ-JJXSEGSLSA-N 1 2 360.502 2.957 20 30 FFEDLO C[C@@H]1C[N@@H+]([C@H](CNC(=O)[C@H]2CCc3c[nH]nc3C2)c2cccs2)CCO1 ZINC000330056965 510907219 /nfs/dbraw/zinc/90/72/19/510907219.db2.gz WRVQLMRLVGEANW-JKIFEVAISA-N 1 2 374.510 2.995 20 30 FFEDLO C[C@@H]1C[N@H+]([C@H](CNC(=O)[C@H]2CCc3c[nH]nc3C2)c2cccs2)CCO1 ZINC000330056965 510907226 /nfs/dbraw/zinc/90/72/26/510907226.db2.gz WRVQLMRLVGEANW-JKIFEVAISA-N 1 2 374.510 2.995 20 30 FFEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000330062578 510908486 /nfs/dbraw/zinc/90/84/86/510908486.db2.gz PINSSZRBPVPPSY-ORPJZTTNSA-N 1 2 369.513 2.721 20 30 FFEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000330062578 510908492 /nfs/dbraw/zinc/90/84/92/510908492.db2.gz PINSSZRBPVPPSY-ORPJZTTNSA-N 1 2 369.513 2.721 20 30 FFEDLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330103518 510916371 /nfs/dbraw/zinc/91/63/71/510916371.db2.gz GWYLPHZGFOJQKI-SPYBWZPUSA-N 1 2 350.434 2.941 20 30 FFEDLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330103518 510916375 /nfs/dbraw/zinc/91/63/75/510916375.db2.gz GWYLPHZGFOJQKI-SPYBWZPUSA-N 1 2 350.434 2.941 20 30 FFEDLO C[C@@H]1CN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C[C@]2(CCCOC2)O1 ZINC000330151803 510926146 /nfs/dbraw/zinc/92/61/46/510926146.db2.gz LOVPIYOHOFDCHO-UZLBHIALSA-N 1 2 370.453 2.556 20 30 FFEDLO O=C(C[N@@H+]1CCS[C@H]2COCC[C@@H]21)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000330171065 510929459 /nfs/dbraw/zinc/92/94/59/510929459.db2.gz FBNQRZZFGMSJSI-FZMZJTMJSA-N 1 2 372.393 2.802 20 30 FFEDLO O=C(C[N@H+]1CCS[C@H]2COCC[C@@H]21)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000330171065 510929462 /nfs/dbraw/zinc/92/94/62/510929462.db2.gz FBNQRZZFGMSJSI-FZMZJTMJSA-N 1 2 372.393 2.802 20 30 FFEDLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1[C@@H]2CC[C@H]1CC(=O)C2)C1CCCCC1 ZINC000330195871 510935187 /nfs/dbraw/zinc/93/51/87/510935187.db2.gz ZXSXOPPJOGXUOG-JZXOWHBKSA-N 1 2 372.469 2.580 20 30 FFEDLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1[C@@H]2CC[C@H]1CC(=O)C2)C1CCCCC1 ZINC000330195871 510935191 /nfs/dbraw/zinc/93/51/91/510935191.db2.gz ZXSXOPPJOGXUOG-JZXOWHBKSA-N 1 2 372.469 2.580 20 30 FFEDLO N#CCOc1ccc(C[NH+]2CCN(c3nc(F)c(F)cc3F)CC2)cc1 ZINC000277138353 510956043 /nfs/dbraw/zinc/95/60/43/510956043.db2.gz IYKNPDIFUYMARK-UHFFFAOYSA-N 1 2 362.355 2.723 20 30 FFEDLO CCn1ncc2ccc(NC(=O)N3CCN(CC)[C@H](c4[nH]cc[nH+]4)C3)cc21 ZINC000330320360 510963629 /nfs/dbraw/zinc/96/36/29/510963629.db2.gz DZZCHZKTHFECQE-KRWDZBQOSA-N 1 2 367.457 2.704 20 30 FFEDLO Cc1nn(CC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)c(C)c1Cl ZINC000330336406 510968343 /nfs/dbraw/zinc/96/83/43/510968343.db2.gz SKLSOVAKDSRRCJ-OCCSQVGLSA-N 1 2 351.838 2.764 20 30 FFEDLO CCCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C1 ZINC000330335719 510968768 /nfs/dbraw/zinc/96/87/68/510968768.db2.gz RTFDZQJPPAPXPR-ZMSDIMECSA-N 1 2 362.474 2.635 20 30 FFEDLO CCN1CCN(C(=O)Nc2cc(F)c(OC)c(F)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330346544 510971952 /nfs/dbraw/zinc/97/19/52/510971952.db2.gz GSANOKNAVBIWOE-AWEZNQCLSA-N 1 2 365.384 2.621 20 30 FFEDLO CC(=O)Nc1ccc(F)c(NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000330353796 510973405 /nfs/dbraw/zinc/97/34/05/510973405.db2.gz OWEVNUYMLVRXOB-MRXNPFEDSA-N 1 2 374.420 2.701 20 30 FFEDLO CCN1CCN(C(=O)Nc2cc(OC)ccc2Cl)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330352660 510973517 /nfs/dbraw/zinc/97/35/17/510973517.db2.gz NOWNDVGNUFODOW-OAHLLOKOSA-N 1 2 363.849 2.996 20 30 FFEDLO COc1cc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)ccc1C#N ZINC000282460386 510987513 /nfs/dbraw/zinc/98/75/13/510987513.db2.gz VOHHEYYTZXSVTD-UXHICEINSA-N 1 2 352.434 2.891 20 30 FFEDLO COc1cc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)ccc1C#N ZINC000282460386 510987517 /nfs/dbraw/zinc/98/75/17/510987517.db2.gz VOHHEYYTZXSVTD-UXHICEINSA-N 1 2 352.434 2.891 20 30 FFEDLO N#CC1CCN(c2nc(N3CCC(C#N)CC3)c3c([nH+]2)CCS3)CC1 ZINC000286142680 511019827 /nfs/dbraw/zinc/01/98/27/511019827.db2.gz HFRWGDJEAXFVKA-UHFFFAOYSA-N 1 2 354.483 2.605 20 30 FFEDLO N#C[C@]1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC12CCCC2 ZINC000294325528 511028435 /nfs/dbraw/zinc/02/84/35/511028435.db2.gz HCKUESNNPSPCDJ-RXVVDRJESA-N 1 2 353.466 2.650 20 30 FFEDLO CN1CC[NH+](Cc2cccc(NC(=O)[C@@]3(C#N)CC34CCCC4)c2)CC1 ZINC000294377181 511044082 /nfs/dbraw/zinc/04/40/82/511044082.db2.gz CNCMMCUNCTXQMQ-NRFANRHFSA-N 1 2 352.482 2.847 20 30 FFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000331316580 511059624 /nfs/dbraw/zinc/05/96/24/511059624.db2.gz DCNULNHCMDGVDX-GXFFZTMASA-N 1 2 369.206 2.512 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cscc1Br ZINC000289073533 511093485 /nfs/dbraw/zinc/09/34/85/511093485.db2.gz JXMHEWJJQMIJKM-UHFFFAOYSA-N 1 2 358.305 2.558 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCC(NS(=O)(=O)CC)CC2)cc1Cl ZINC000289543624 511104325 /nfs/dbraw/zinc/10/43/25/511104325.db2.gz WYHBTVPEOBTCIU-UHFFFAOYSA-N 1 2 372.918 2.809 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)c1ccccc1 ZINC000289758977 511113932 /nfs/dbraw/zinc/11/39/32/511113932.db2.gz ZCIMMTBOIWDLAG-QUCCMNQESA-N 1 2 353.466 2.967 20 30 FFEDLO N#CCCN(C(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)c1ccccc1 ZINC000289758977 511113934 /nfs/dbraw/zinc/11/39/34/511113934.db2.gz ZCIMMTBOIWDLAG-QUCCMNQESA-N 1 2 353.466 2.967 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1OCCCC#N ZINC000271217540 511124185 /nfs/dbraw/zinc/12/41/85/511124185.db2.gz XQHCPVBKOHCJIB-ISQRANHSSA-N 1 2 350.484 2.719 20 30 FFEDLO COc1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1OCCCC#N ZINC000271217540 511124191 /nfs/dbraw/zinc/12/41/91/511124191.db2.gz XQHCPVBKOHCJIB-ISQRANHSSA-N 1 2 350.484 2.719 20 30 FFEDLO CC(C)[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271320235 511161505 /nfs/dbraw/zinc/16/15/05/511161505.db2.gz AQRFJNHEYAFZFV-VQTJNVASSA-N 1 2 370.497 2.589 20 30 FFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000282945376 511171730 /nfs/dbraw/zinc/17/17/30/511171730.db2.gz HEVQGILVDLFFDL-JTQLQIEISA-N 1 2 353.304 2.864 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3[nH]nc4ccccc43)CC2)cc1 ZINC000298102605 511176345 /nfs/dbraw/zinc/17/63/45/511176345.db2.gz IQMNUTALEBBARP-UHFFFAOYSA-N 1 2 359.433 2.783 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3[nH]nc4ccccc43)CC2)cc1 ZINC000298102605 511176349 /nfs/dbraw/zinc/17/63/49/511176349.db2.gz IQMNUTALEBBARP-UHFFFAOYSA-N 1 2 359.433 2.783 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)n1 ZINC000279777384 511211772 /nfs/dbraw/zinc/21/17/72/511211772.db2.gz UBIOGYNVQFKKRP-SFHVURJKSA-N 1 2 363.465 2.674 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)n1 ZINC000279777384 511211777 /nfs/dbraw/zinc/21/17/77/511211777.db2.gz UBIOGYNVQFKKRP-SFHVURJKSA-N 1 2 363.465 2.674 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)n1 ZINC000279792453 511215794 /nfs/dbraw/zinc/21/57/94/511215794.db2.gz VRYAQIBQTASBMU-HZPDHXFCSA-N 1 2 356.445 2.743 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)n1 ZINC000279792453 511215798 /nfs/dbraw/zinc/21/57/98/511215798.db2.gz VRYAQIBQTASBMU-HZPDHXFCSA-N 1 2 356.445 2.743 20 30 FFEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)S1 ZINC000280317458 511418172 /nfs/dbraw/zinc/41/81/72/511418172.db2.gz YXVBSEISEHMIOC-CQSZACIVSA-N 1 2 356.495 2.737 20 30 FFEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1cc(C#N)ccc1Br)CCO2 ZINC000280332692 511424547 /nfs/dbraw/zinc/42/45/47/511424547.db2.gz HIMCMFLVSWKSOE-WBMJQRKESA-N 1 2 351.244 2.701 20 30 FFEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cc(C#N)ccc1Br)CCO2 ZINC000280332692 511424552 /nfs/dbraw/zinc/42/45/52/511424552.db2.gz HIMCMFLVSWKSOE-WBMJQRKESA-N 1 2 351.244 2.701 20 30 FFEDLO Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@H]3[C@@H](C#N)c3ccccc3)sc2n1 ZINC000363285061 511462012 /nfs/dbraw/zinc/46/20/12/511462012.db2.gz BFMVYBFKBKNYSV-HOTGVXAUSA-N 1 2 365.462 2.731 20 30 FFEDLO Cc1cc(=O)n2nc(C[N@H+]3CCC[C@H]3[C@@H](C#N)c3ccccc3)sc2n1 ZINC000363285061 511462017 /nfs/dbraw/zinc/46/20/17/511462017.db2.gz BFMVYBFKBKNYSV-HOTGVXAUSA-N 1 2 365.462 2.731 20 30 FFEDLO COCC[N@H+](Cc1cnnn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000292222712 511511542 /nfs/dbraw/zinc/51/15/42/511511542.db2.gz AQYYXICJIBGUQW-UHFFFAOYSA-N 1 2 361.449 2.847 20 30 FFEDLO COCC[N@@H+](Cc1cnnn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000292222712 511511545 /nfs/dbraw/zinc/51/15/45/511511545.db2.gz AQYYXICJIBGUQW-UHFFFAOYSA-N 1 2 361.449 2.847 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCCOCC2)c1C#N ZINC000363379830 511514416 /nfs/dbraw/zinc/51/44/16/511514416.db2.gz XWKUJWIBMSDUTG-UHFFFAOYSA-N 1 2 352.438 2.627 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCCOCC2)c1C#N ZINC000363379830 511514419 /nfs/dbraw/zinc/51/44/19/511514419.db2.gz XWKUJWIBMSDUTG-UHFFFAOYSA-N 1 2 352.438 2.627 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000280617972 511533871 /nfs/dbraw/zinc/53/38/71/511533871.db2.gz BJKNAYMCLUNCJZ-AZUAARDMSA-N 1 2 368.481 2.906 20 30 FFEDLO COc1ccc(C2(C/[NH+]=C/c3ccc(O)c(O)c3O)CCOCC2)cc1 ZINC000299165888 511536992 /nfs/dbraw/zinc/53/69/92/511536992.db2.gz OMFPUUAXGLUQRG-CIAFOILYSA-N 1 2 357.406 2.979 20 30 FFEDLO C[C@@H]1CC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1(C)C ZINC000273575856 511539318 /nfs/dbraw/zinc/53/93/18/511539318.db2.gz CZPRRMMGOPFGTK-HIFRSBDPSA-N 1 2 352.438 2.880 20 30 FFEDLO C[C@@H]1CC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1(C)C ZINC000273575856 511539324 /nfs/dbraw/zinc/53/93/24/511539324.db2.gz CZPRRMMGOPFGTK-HIFRSBDPSA-N 1 2 352.438 2.880 20 30 FFEDLO N#Cc1ccc(N2CCC(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)nc1 ZINC000363460692 511566801 /nfs/dbraw/zinc/56/68/01/511566801.db2.gz ATYORFARFYRZLM-UHFFFAOYSA-N 1 2 372.432 2.538 20 30 FFEDLO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](Oc4ncccc4F)C3)n2c1 ZINC000365937258 511738231 /nfs/dbraw/zinc/73/82/31/511738231.db2.gz PVZHDDUGENZCAU-MRXNPFEDSA-N 1 2 351.385 2.783 20 30 FFEDLO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](Oc4ncccc4F)C3)n2c1 ZINC000365937258 511738238 /nfs/dbraw/zinc/73/82/38/511738238.db2.gz PVZHDDUGENZCAU-MRXNPFEDSA-N 1 2 351.385 2.783 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000281258752 511777866 /nfs/dbraw/zinc/77/78/66/511777866.db2.gz QJYZNBKQZQHSHP-IBGZPJMESA-N 1 2 363.465 2.938 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2SC)C1=O ZINC000281390898 511830130 /nfs/dbraw/zinc/83/01/30/511830130.db2.gz WTHRKYPVIXDIKV-CQSZACIVSA-N 1 2 350.484 2.644 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(OC)c(OC)cc2SC)C1=O ZINC000281390898 511830133 /nfs/dbraw/zinc/83/01/33/511830133.db2.gz WTHRKYPVIXDIKV-CQSZACIVSA-N 1 2 350.484 2.644 20 30 FFEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000281429063 511844511 /nfs/dbraw/zinc/84/45/11/511844511.db2.gz PDJVVWCZGRSDII-IBGZPJMESA-N 1 2 351.454 2.894 20 30 FFEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000281429063 511844514 /nfs/dbraw/zinc/84/45/14/511844514.db2.gz PDJVVWCZGRSDII-IBGZPJMESA-N 1 2 351.454 2.894 20 30 FFEDLO N#C[C@H]1N(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCC[C@]12CCCCO2 ZINC000366185643 511887629 /nfs/dbraw/zinc/88/76/29/511887629.db2.gz SHSUMIBRXZYFLA-TZIWHRDSSA-N 1 2 364.449 2.999 20 30 FFEDLO C[C@H]1Oc2ccc(NC(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)cc2NC1=O ZINC000328870842 511943067 /nfs/dbraw/zinc/94/30/67/511943067.db2.gz PRQQGGIEZCZQDP-VXGBXAGGSA-N 1 2 355.398 2.824 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000328878562 511943211 /nfs/dbraw/zinc/94/32/11/511943211.db2.gz UQOZGNFEQSYJNA-HUUCEWRRSA-N 1 2 370.501 2.632 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCOC3(CCSCC3)C2)C1 ZINC000328884038 511945527 /nfs/dbraw/zinc/94/55/27/511945527.db2.gz YJAULFKUEMDBNH-CABCVRRESA-N 1 2 364.515 2.568 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](C[C@@H](O)c3ccc(F)cc3Cl)CC2)c1 ZINC000274800226 511946726 /nfs/dbraw/zinc/94/67/26/511946726.db2.gz UYWLXEBYIPWLON-QGZVFWFLSA-N 1 2 360.820 2.601 20 30 FFEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCOC2(CCC2)C1 ZINC000328986899 511961897 /nfs/dbraw/zinc/96/18/97/511961897.db2.gz UKVSZHSFNIPPNI-UHFFFAOYSA-N 1 2 350.488 2.929 20 30 FFEDLO COc1ccccc1[C@@H](NC(=O)c1cc(C#N)cs1)c1[nH+]ccn1C ZINC000364128233 511972628 /nfs/dbraw/zinc/97/26/28/511972628.db2.gz QDXXKIZZNQCKKZ-MRXNPFEDSA-N 1 2 352.419 2.881 20 30 FFEDLO Cc1ccnc(-c2noc(C[NH+]3CCN(c4ccccc4C#N)CC3)n2)c1 ZINC000296984588 511977054 /nfs/dbraw/zinc/97/70/54/511977054.db2.gz DXENNXWOMILWKL-UHFFFAOYSA-N 1 2 360.421 2.634 20 30 FFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000329197213 512003063 /nfs/dbraw/zinc/00/30/63/512003063.db2.gz VCYOWRKXSGJGPG-TZQQIIETSA-N 1 2 371.481 2.906 20 30 FFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000329197213 512003064 /nfs/dbraw/zinc/00/30/64/512003064.db2.gz VCYOWRKXSGJGPG-TZQQIIETSA-N 1 2 371.481 2.906 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329212182 512006680 /nfs/dbraw/zinc/00/66/80/512006680.db2.gz HQAZBVMRRHSONJ-SCTDSRPQSA-N 1 2 373.497 2.919 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329212182 512006683 /nfs/dbraw/zinc/00/66/83/512006683.db2.gz HQAZBVMRRHSONJ-SCTDSRPQSA-N 1 2 373.497 2.919 20 30 FFEDLO Cn1cc2c(n1)CCC[C@@H]2C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000329242568 512011478 /nfs/dbraw/zinc/01/14/78/512011478.db2.gz SJYODOAAEKWBSA-PXNSSMCTSA-N 1 2 368.481 2.870 20 30 FFEDLO Cc1ccn(-c2ccccc2CNC(=O)C2([NH+]3CCOCC3)CCC2)n1 ZINC000329263039 512016585 /nfs/dbraw/zinc/01/65/85/512016585.db2.gz BOVHTAXVMVGILA-UHFFFAOYSA-N 1 2 354.454 2.892 20 30 FFEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCOCC2(CC2)C1 ZINC000329330258 512027986 /nfs/dbraw/zinc/02/79/86/512027986.db2.gz YWQVYZFYFRQLKZ-UHFFFAOYSA-N 1 2 350.488 2.787 20 30 FFEDLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000329333978 512029562 /nfs/dbraw/zinc/02/95/62/512029562.db2.gz XGSYOUHGXDDASF-QGZVFWFLSA-N 1 2 364.534 2.642 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1CCCc3c[nH]nc31)CC2 ZINC000329360001 512032947 /nfs/dbraw/zinc/03/29/47/512032947.db2.gz XSRNRYWDMHGFJG-MRXNPFEDSA-N 1 2 370.453 2.819 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1CCCc3c[nH]nc31)CC2 ZINC000329360001 512032952 /nfs/dbraw/zinc/03/29/52/512032952.db2.gz XSRNRYWDMHGFJG-MRXNPFEDSA-N 1 2 370.453 2.819 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000282008329 512044119 /nfs/dbraw/zinc/04/41/19/512044119.db2.gz WQDCIIMUXKZBMU-FUHWJXTLSA-N 1 2 352.438 2.871 20 30 FFEDLO O=C(NC[C@H]1CCC2(CCCCC2)O1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329660484 512084095 /nfs/dbraw/zinc/08/40/95/512084095.db2.gz OEIGEKITJUMNCW-ZWKOTPCHSA-N 1 2 365.518 2.579 20 30 FFEDLO Cc1ncc(C[NH+]2CCN(C(=O)NCC[C@@H]3CCO[C@@H](C)C3)CC2)s1 ZINC000329765810 512094935 /nfs/dbraw/zinc/09/49/35/512094935.db2.gz XJFGGNDIZJYJJI-GOEBONIOSA-N 1 2 366.531 2.688 20 30 FFEDLO Cc1nc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)ccc1-c1ccccc1 ZINC000329777148 512096441 /nfs/dbraw/zinc/09/64/41/512096441.db2.gz KIKZLXOBQAAJFE-MSOLQXFVSA-N 1 2 352.438 2.617 20 30 FFEDLO Cc1nc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)ccc1-c1ccccc1 ZINC000329777148 512096443 /nfs/dbraw/zinc/09/64/43/512096443.db2.gz KIKZLXOBQAAJFE-MSOLQXFVSA-N 1 2 352.438 2.617 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000329804017 512099276 /nfs/dbraw/zinc/09/92/76/512099276.db2.gz LSKMEZBXQDMMGG-LULLPPNCSA-N 1 2 372.513 2.878 20 30 FFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(CCC#N)Cc1ccccn1)C2 ZINC000369641737 512528829 /nfs/dbraw/zinc/52/88/29/512528829.db2.gz VUFBCCCCNVAWBB-OAHLLOKOSA-N 1 2 351.454 2.975 20 30 FFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(CCC#N)Cc1ccccn1)CC2 ZINC000369641737 512528833 /nfs/dbraw/zinc/52/88/33/512528833.db2.gz VUFBCCCCNVAWBB-OAHLLOKOSA-N 1 2 351.454 2.975 20 30 FFEDLO C=CC[N@@H+](CCc1ccco1)[C@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000411490079 512660541 /nfs/dbraw/zinc/66/05/41/512660541.db2.gz SCWGSLLAVKUJHS-OAHLLOKOSA-N 1 2 364.453 2.834 20 30 FFEDLO C=CC[N@H+](CCc1ccco1)[C@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000411490079 512660544 /nfs/dbraw/zinc/66/05/44/512660544.db2.gz SCWGSLLAVKUJHS-OAHLLOKOSA-N 1 2 364.453 2.834 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([NH2+][C@H](CO)c3cccc(Cl)c3F)C2=O)cc1 ZINC000411664622 512745219 /nfs/dbraw/zinc/74/52/19/512745219.db2.gz FCKJWQHINYVCGP-DLBZAZTESA-N 1 2 373.815 2.779 20 30 FFEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374351215 512784458 /nfs/dbraw/zinc/78/44/58/512784458.db2.gz BWARDMRYTDCYPS-AEFFLSMTSA-N 1 2 352.438 2.711 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000396390010 512941295 /nfs/dbraw/zinc/94/12/95/512941295.db2.gz QJJKNOFRMUUMRL-OAHLLOKOSA-N 1 2 373.453 2.592 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000396390010 512941297 /nfs/dbraw/zinc/94/12/97/512941297.db2.gz QJJKNOFRMUUMRL-OAHLLOKOSA-N 1 2 373.453 2.592 20 30 FFEDLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000370730445 513074874 /nfs/dbraw/zinc/07/48/74/513074874.db2.gz OCXFIMGADXJBLV-OCCSQVGLSA-N 1 2 372.375 2.712 20 30 FFEDLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000370730445 513074879 /nfs/dbraw/zinc/07/48/79/513074879.db2.gz OCXFIMGADXJBLV-OCCSQVGLSA-N 1 2 372.375 2.712 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000446059944 513174671 /nfs/dbraw/zinc/17/46/71/513174671.db2.gz GMQYNVKVYNBYQA-RHSMWYFYSA-N 1 2 361.511 2.970 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000446059944 513174676 /nfs/dbraw/zinc/17/46/76/513174676.db2.gz GMQYNVKVYNBYQA-RHSMWYFYSA-N 1 2 361.511 2.970 20 30 FFEDLO Cc1cc(Br)cn2cc(CCNC(=O)[C@]3(C#N)C[C@@H]3C)[nH+]c12 ZINC000450600799 513268411 /nfs/dbraw/zinc/26/84/11/513268411.db2.gz UBPQUUKHTDVJKS-ZBEGNZNMSA-N 1 2 361.243 2.614 20 30 FFEDLO COC(=O)[C@H](CC(C)C)[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000429145845 513289911 /nfs/dbraw/zinc/28/99/11/513289911.db2.gz VOYDINRYKYAFPE-ROUUACIJSA-N 1 2 357.454 2.573 20 30 FFEDLO COC(=O)[C@H](CC(C)C)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000429145845 513289912 /nfs/dbraw/zinc/28/99/12/513289912.db2.gz VOYDINRYKYAFPE-ROUUACIJSA-N 1 2 357.454 2.573 20 30 FFEDLO Cc1cccc([C@@H](CNc2nccc(C#N)c2Cl)[NH+]2CCOCC2)c1 ZINC000429205353 513305081 /nfs/dbraw/zinc/30/50/81/513305081.db2.gz ZRNVQFOELQRRLL-QGZVFWFLSA-N 1 2 356.857 2.822 20 30 FFEDLO COc1cc(C#N)ccc1OCC[NH+]1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429359068 513350319 /nfs/dbraw/zinc/35/03/19/513350319.db2.gz APQNAYXYDBSOPP-HOTGVXAUSA-N 1 2 373.497 2.913 20 30 FFEDLO Cc1cc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c(C#N)c[nH+]1 ZINC000425210420 513454522 /nfs/dbraw/zinc/45/45/22/513454522.db2.gz UMHDNJBGNGYCRI-UHFFFAOYSA-N 1 2 370.840 2.643 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNc3c(C#N)cccc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000425211566 513455580 /nfs/dbraw/zinc/45/55/80/513455580.db2.gz XQCSAFCNJGPMBV-CYBMUJFWSA-N 1 2 353.382 2.699 20 30 FFEDLO CCOC(=O)c1ccc(N2CCCN(c3cc(C)[nH+]cc3C#N)CC2)nc1 ZINC000425216585 513458536 /nfs/dbraw/zinc/45/85/36/513458536.db2.gz RTTOFLFVPOTKOB-UHFFFAOYSA-N 1 2 365.437 2.550 20 30 FFEDLO Cc1cc(N2CCN(C(=O)[C@H](C)Oc3ccccc3C)CC2)c(C#N)c[nH+]1 ZINC000425236462 513466065 /nfs/dbraw/zinc/46/60/65/513466065.db2.gz QDVMTFQNHRTYBH-KRWDZBQOSA-N 1 2 364.449 2.686 20 30 FFEDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000430200018 513586173 /nfs/dbraw/zinc/58/61/73/513586173.db2.gz DSDYUXQNEBMIHK-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO CCOC(=O)C[N@H+](C1CCCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447854184 513602735 /nfs/dbraw/zinc/60/27/35/513602735.db2.gz KKDZRINVLDSNIP-LJQANCHMSA-N 1 2 369.465 2.861 20 30 FFEDLO CCOC(=O)C[N@@H+](C1CCCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447854184 513602742 /nfs/dbraw/zinc/60/27/42/513602742.db2.gz KKDZRINVLDSNIP-LJQANCHMSA-N 1 2 369.465 2.861 20 30 FFEDLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425539375 513627917 /nfs/dbraw/zinc/62/79/17/513627917.db2.gz MMBFTDHHJZXSNO-IERDGZPVSA-N 1 2 363.461 2.868 20 30 FFEDLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425539375 513627922 /nfs/dbraw/zinc/62/79/22/513627922.db2.gz MMBFTDHHJZXSNO-IERDGZPVSA-N 1 2 363.461 2.868 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000435604009 513633073 /nfs/dbraw/zinc/63/30/73/513633073.db2.gz BHLZJBRYTYWNRU-QFBILLFUSA-N 1 2 361.442 2.820 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425556260 513638457 /nfs/dbraw/zinc/63/84/57/513638457.db2.gz ZVNQPPOGZRPSQR-ZIAGYGMSSA-N 1 2 370.482 2.627 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425556260 513638459 /nfs/dbraw/zinc/63/84/59/513638459.db2.gz ZVNQPPOGZRPSQR-ZIAGYGMSSA-N 1 2 370.482 2.627 20 30 FFEDLO CC[C@@H](C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[N@@H+]1CCO[C@H](CC)C1 ZINC000416339491 513720870 /nfs/dbraw/zinc/72/08/70/513720870.db2.gz NLTPQOQOUOGYRH-RLLQIKCJSA-N 1 2 355.482 2.941 20 30 FFEDLO CC[C@@H](C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[N@H+]1CCO[C@H](CC)C1 ZINC000416339491 513720876 /nfs/dbraw/zinc/72/08/76/513720876.db2.gz NLTPQOQOUOGYRH-RLLQIKCJSA-N 1 2 355.482 2.941 20 30 FFEDLO N#Cc1c(NC(=O)C[N@H+]2CC[C@@](O)(C(F)F)C2)sc2c1CCCCC2 ZINC000451423177 513741410 /nfs/dbraw/zinc/74/14/10/513741410.db2.gz DQJJSCIKUXMJMV-KRWDZBQOSA-N 1 2 369.437 2.529 20 30 FFEDLO N#Cc1c(NC(=O)C[N@@H+]2CC[C@@](O)(C(F)F)C2)sc2c1CCCCC2 ZINC000451423177 513741415 /nfs/dbraw/zinc/74/14/15/513741415.db2.gz DQJJSCIKUXMJMV-KRWDZBQOSA-N 1 2 369.437 2.529 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)ccc1C#N ZINC000442812043 513784751 /nfs/dbraw/zinc/78/47/51/513784751.db2.gz QEHBKNHGTIRCJX-UHFFFAOYSA-N 1 2 350.397 2.900 20 30 FFEDLO COC1(C(F)(F)F)CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000419348773 513785184 /nfs/dbraw/zinc/78/51/84/513785184.db2.gz LPQHXZMVXHDLRQ-HNNXBMFYSA-N 1 2 367.371 2.707 20 30 FFEDLO COCC1CCC(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000413786123 513815697 /nfs/dbraw/zinc/81/56/97/513815697.db2.gz SDCZJSMRZBZGPF-UHFFFAOYSA-N 1 2 370.497 2.591 20 30 FFEDLO N#CCCCCS(=O)(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000451601915 513860116 /nfs/dbraw/zinc/86/01/16/513860116.db2.gz CLJSDFPVYXYWIX-UHFFFAOYSA-N 1 2 352.847 2.639 20 30 FFEDLO N#Cc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1O ZINC000443129399 513881048 /nfs/dbraw/zinc/88/10/48/513881048.db2.gz HAGXHCBYLDINQC-UHFFFAOYSA-N 1 2 360.417 2.552 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@@H+](CCC(N)=O)[C@@H]1CCOc2ccccc21 ZINC000451715593 513932425 /nfs/dbraw/zinc/93/24/25/513932425.db2.gz QQKOZECFNFBDMX-GOSISDBHSA-N 1 2 353.397 2.899 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@H+](CCC(N)=O)[C@@H]1CCOc2ccccc21 ZINC000451715593 513932431 /nfs/dbraw/zinc/93/24/31/513932431.db2.gz QQKOZECFNFBDMX-GOSISDBHSA-N 1 2 353.397 2.899 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(NC(=O)c2ccccc2)c1 ZINC000414118516 513980140 /nfs/dbraw/zinc/98/01/40/513980140.db2.gz AYGZLTHGQVAMGU-SFHVURJKSA-N 1 2 353.422 2.524 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(NC(=O)c2ccccc2)c1 ZINC000414118516 513980147 /nfs/dbraw/zinc/98/01/47/513980147.db2.gz AYGZLTHGQVAMGU-SFHVURJKSA-N 1 2 353.422 2.524 20 30 FFEDLO Cn1c2ccccc2nc1-c1cccc(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000414135649 513984280 /nfs/dbraw/zinc/98/42/80/513984280.db2.gz CSZCICOZSQFHDQ-QGZVFWFLSA-N 1 2 364.449 2.825 20 30 FFEDLO Cn1c2ccccc2nc1-c1cccc(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414135649 513984289 /nfs/dbraw/zinc/98/42/89/513984289.db2.gz CSZCICOZSQFHDQ-QGZVFWFLSA-N 1 2 364.449 2.825 20 30 FFEDLO CCn1c(SC[C@H](O)C[N@H+](C)CCC#N)nnc1-c1ccc(C)cc1 ZINC000414141882 513987253 /nfs/dbraw/zinc/98/72/53/513987253.db2.gz INDTXWRESFKJTA-MRXNPFEDSA-N 1 2 359.499 2.572 20 30 FFEDLO CCn1c(SC[C@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccc(C)cc1 ZINC000414141882 513987262 /nfs/dbraw/zinc/98/72/62/513987262.db2.gz INDTXWRESFKJTA-MRXNPFEDSA-N 1 2 359.499 2.572 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc([N+](=O)[O-])cc1-c1cccs1 ZINC000414148526 513989560 /nfs/dbraw/zinc/98/95/60/513989560.db2.gz SUHOORSBFATRHI-AWEZNQCLSA-N 1 2 361.423 2.908 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc([N+](=O)[O-])cc1-c1cccs1 ZINC000414148526 513989568 /nfs/dbraw/zinc/98/95/68/513989568.db2.gz SUHOORSBFATRHI-AWEZNQCLSA-N 1 2 361.423 2.908 20 30 FFEDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451927455 514076315 /nfs/dbraw/zinc/07/63/15/514076315.db2.gz BSOQDEGXVNQBHZ-AWEZNQCLSA-N 1 2 355.891 2.511 20 30 FFEDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451927455 514076319 /nfs/dbraw/zinc/07/63/19/514076319.db2.gz BSOQDEGXVNQBHZ-AWEZNQCLSA-N 1 2 355.891 2.511 20 30 FFEDLO Cc1cc(NS(=O)(=O)c2ccc(C#N)s2)ccc1OCC[NH+](C)C ZINC000414383602 514080980 /nfs/dbraw/zinc/08/09/80/514080980.db2.gz ALJUDGCNAJPAER-UHFFFAOYSA-N 1 2 365.480 2.669 20 30 FFEDLO Cc1c(C#N)cccc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000432260844 514140977 /nfs/dbraw/zinc/14/09/77/514140977.db2.gz ZBUGTJMAJWKFMS-LJQANCHMSA-N 1 2 364.449 2.889 20 30 FFEDLO Cc1c(C#N)cccc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000432260844 514140984 /nfs/dbraw/zinc/14/09/84/514140984.db2.gz ZBUGTJMAJWKFMS-LJQANCHMSA-N 1 2 364.449 2.889 20 30 FFEDLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC000420605858 514198930 /nfs/dbraw/zinc/19/89/30/514198930.db2.gz WBLSRXOXVANNSD-CYBMUJFWSA-N 1 2 372.270 2.994 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000437645560 514201883 /nfs/dbraw/zinc/20/18/83/514201883.db2.gz KDHJDFDWSUBZBN-MOPGFXCFSA-N 1 2 354.454 2.712 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000432493199 514209575 /nfs/dbraw/zinc/20/95/75/514209575.db2.gz WSQZSRRNXXXHEE-UHFFFAOYSA-N 1 2 359.433 2.799 20 30 FFEDLO CCN(CC)C(=O)C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000432795847 514288737 /nfs/dbraw/zinc/28/87/37/514288737.db2.gz YIIWPTPYXOSQKR-GOSISDBHSA-N 1 2 372.513 2.739 20 30 FFEDLO CCN(CC)C(=O)C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000432795847 514288744 /nfs/dbraw/zinc/28/87/44/514288744.db2.gz YIIWPTPYXOSQKR-GOSISDBHSA-N 1 2 372.513 2.739 20 30 FFEDLO CCc1cc(NS(=O)(=O)c2cnc(C)c(C#N)c2)c2ccccc2[nH+]1 ZINC000427744810 514300266 /nfs/dbraw/zinc/30/02/66/514300266.db2.gz MFPCWWFEZBCIGI-UHFFFAOYSA-N 1 2 352.419 2.595 20 30 FFEDLO C=CC[N@H+](Cc1c(Cl)cnn1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000438101843 514306198 /nfs/dbraw/zinc/30/61/98/514306198.db2.gz HENCPWLGUWNKNT-CYBMUJFWSA-N 1 2 357.849 2.798 20 30 FFEDLO C=CC[N@@H+](Cc1c(Cl)cnn1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000438101843 514306207 /nfs/dbraw/zinc/30/62/07/514306207.db2.gz HENCPWLGUWNKNT-CYBMUJFWSA-N 1 2 357.849 2.798 20 30 FFEDLO C[N@H+](CCNC(=O)NC(C)(C)COCc1ccccc1)CC(C)(C)C#N ZINC000433296056 514450389 /nfs/dbraw/zinc/45/03/89/514450389.db2.gz RATHYEPAXAHFQU-UHFFFAOYSA-N 1 2 360.502 2.763 20 30 FFEDLO C[N@@H+](CCNC(=O)NC(C)(C)COCc1ccccc1)CC(C)(C)C#N ZINC000433296056 514450397 /nfs/dbraw/zinc/45/03/97/514450397.db2.gz RATHYEPAXAHFQU-UHFFFAOYSA-N 1 2 360.502 2.763 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC(C)(C)[C@H]1c1nccn1C ZINC000453025576 514513573 /nfs/dbraw/zinc/51/35/73/514513573.db2.gz UMHTWWIWBFZEPP-PKOBYXMFSA-N 1 2 355.482 2.971 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC(C)(C)[C@H]1c1nccn1C ZINC000453025576 514513582 /nfs/dbraw/zinc/51/35/82/514513582.db2.gz UMHTWWIWBFZEPP-PKOBYXMFSA-N 1 2 355.482 2.971 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)CN1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000453025576 514513590 /nfs/dbraw/zinc/51/35/90/514513590.db2.gz UMHTWWIWBFZEPP-PKOBYXMFSA-N 1 2 355.482 2.971 20 30 FFEDLO Cc1ccc([C@@H](CNc2ncc(C#N)cc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000450266817 514572355 /nfs/dbraw/zinc/57/23/55/514572355.db2.gz UJGUZVORAQWQCQ-GOSISDBHSA-N 1 2 367.409 2.655 20 30 FFEDLO Cc1cc(C)c(CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c[nH+]1 ZINC000455552496 514587086 /nfs/dbraw/zinc/58/70/86/514587086.db2.gz BOZJVPSOKMUCEP-IBGZPJMESA-N 1 2 350.422 2.853 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCOCC3CCCC3)CC2)cc1 ZINC000455601986 514623861 /nfs/dbraw/zinc/62/38/61/514623861.db2.gz ZTEGWPKCMQRGJC-UHFFFAOYSA-N 1 2 370.497 2.592 20 30 FFEDLO COC(=O)c1ccc(N2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)s1 ZINC000453590335 514707962 /nfs/dbraw/zinc/70/79/62/514707962.db2.gz YGPRIJKWWNPNFD-UHFFFAOYSA-N 1 2 371.462 2.737 20 30 FFEDLO C[C@H](C(=O)N1CCCCC1)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471006684 514713278 /nfs/dbraw/zinc/71/32/78/514713278.db2.gz OEXWWYIFUPXFCG-APWZRJJASA-N 1 2 374.916 2.923 20 30 FFEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000471015320 514716347 /nfs/dbraw/zinc/71/63/47/514716347.db2.gz VGRGLCWVKVDJLP-IBGZPJMESA-N 1 2 374.916 2.971 20 30 FFEDLO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471015372 514716471 /nfs/dbraw/zinc/71/64/71/514716471.db2.gz VUIZEARMIUNHHY-QAPCUYQASA-N 1 2 362.905 2.778 20 30 FFEDLO CCC(C)(C)NC(=O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471018347 514719325 /nfs/dbraw/zinc/71/93/25/514719325.db2.gz NFJWZKHIJBPRAL-KRWDZBQOSA-N 1 2 362.905 2.827 20 30 FFEDLO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471027051 514725091 /nfs/dbraw/zinc/72/50/91/514725091.db2.gz CKGQPLAYWIOXSP-RHSMWYFYSA-N 1 2 362.905 2.825 20 30 FFEDLO C=CCOc1cccc(C[N@H+]2CCN(C(=O)c3cc(C)n[nH]3)C[C@H]2C)c1 ZINC000453613453 514726601 /nfs/dbraw/zinc/72/66/01/514726601.db2.gz MGTZTDFAXGBMEI-MRXNPFEDSA-N 1 2 354.454 2.629 20 30 FFEDLO C=CCOc1cccc(C[N@@H+]2CCN(C(=O)c3cc(C)n[nH]3)C[C@H]2C)c1 ZINC000453613453 514726609 /nfs/dbraw/zinc/72/66/09/514726609.db2.gz MGTZTDFAXGBMEI-MRXNPFEDSA-N 1 2 354.454 2.629 20 30 FFEDLO C=CCOc1cccc(C[N@H+]2CCN(C(=O)c3cc(C)[nH]n3)C[C@H]2C)c1 ZINC000453613453 514726617 /nfs/dbraw/zinc/72/66/17/514726617.db2.gz MGTZTDFAXGBMEI-MRXNPFEDSA-N 1 2 354.454 2.629 20 30 FFEDLO C=CCOc1cccc(C[N@@H+]2CCN(C(=O)c3cc(C)[nH]n3)C[C@H]2C)c1 ZINC000453613453 514726626 /nfs/dbraw/zinc/72/66/26/514726626.db2.gz MGTZTDFAXGBMEI-MRXNPFEDSA-N 1 2 354.454 2.629 20 30 FFEDLO CC(C)(C)Oc1ccc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1C#N ZINC000455805363 514748759 /nfs/dbraw/zinc/74/87/59/514748759.db2.gz XOJSKUPHTTXBCY-UHFFFAOYSA-N 1 2 374.485 2.968 20 30 FFEDLO C[C@H](C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1)c1cccc(C#N)c1 ZINC000461911350 514782165 /nfs/dbraw/zinc/78/21/65/514782165.db2.gz RCYNDSODSQHDDX-CVEARBPZSA-N 1 2 364.449 2.598 20 30 FFEDLO C=CCCCS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000489286064 514783885 /nfs/dbraw/zinc/78/38/85/514783885.db2.gz BOLQVFGWQVPTTH-CQSZACIVSA-N 1 2 358.454 2.815 20 30 FFEDLO C=CCCCS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000489286064 514783895 /nfs/dbraw/zinc/78/38/95/514783895.db2.gz BOLQVFGWQVPTTH-CQSZACIVSA-N 1 2 358.454 2.815 20 30 FFEDLO N#Cc1ccc(N2CCN(Cc3[nH+]ccn3CC(F)(F)F)CC2)c(F)c1 ZINC000489602941 514912412 /nfs/dbraw/zinc/91/24/12/514912412.db2.gz GOZJERGULJQGBD-UHFFFAOYSA-N 1 2 367.350 2.778 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ncc(C#N)cc3Cl)CC2)cc(OC)c1 ZINC000476175856 514935697 /nfs/dbraw/zinc/93/56/97/514935697.db2.gz YOFBHOWJNHFFSN-UHFFFAOYSA-N 1 2 372.856 2.946 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC(F)(C#N)CC1)c1ccc(F)cc1 ZINC000476255098 514970449 /nfs/dbraw/zinc/97/04/49/514970449.db2.gz HHMHNINRUHQDEG-HNNXBMFYSA-N 1 2 359.380 2.686 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)cc1Cl ZINC000471813447 515018000 /nfs/dbraw/zinc/01/80/00/515018000.db2.gz VYSKVCOFGNAWMH-UHFFFAOYSA-N 1 2 359.861 2.584 20 30 FFEDLO C=CCSc1ccccc1C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000485467016 515050605 /nfs/dbraw/zinc/05/06/05/515050605.db2.gz OKWDRCPMLMPOTD-UHFFFAOYSA-N 1 2 356.495 2.656 20 30 FFEDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3ccc(C#N)cc3Cl)cn2c1 ZINC000503502308 515058116 /nfs/dbraw/zinc/05/81/16/515058116.db2.gz DYYNNOHIDGXVNO-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000456351568 515119029 /nfs/dbraw/zinc/11/90/29/515119029.db2.gz BICUGLWFAZKZAV-MRXNPFEDSA-N 1 2 367.453 2.807 20 30 FFEDLO N#Cc1c(F)cccc1NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000498930906 515127636 /nfs/dbraw/zinc/12/76/36/515127636.db2.gz BUFZQHYXESIKPT-UHFFFAOYSA-N 1 2 358.461 2.834 20 30 FFEDLO CC(C)Cc1nnc(NC(=O)C[N@H+](C)CCOc2ccccc2C#N)s1 ZINC000485675116 515138467 /nfs/dbraw/zinc/13/84/67/515138467.db2.gz REVBRCOOZABRJP-UHFFFAOYSA-N 1 2 373.482 2.558 20 30 FFEDLO CC(C)Cc1nnc(NC(=O)C[N@@H+](C)CCOc2ccccc2C#N)s1 ZINC000485675116 515138474 /nfs/dbraw/zinc/13/84/74/515138474.db2.gz REVBRCOOZABRJP-UHFFFAOYSA-N 1 2 373.482 2.558 20 30 FFEDLO C=C(C)CC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000509380488 515149950 /nfs/dbraw/zinc/14/99/50/515149950.db2.gz SZZNXWLWQWPIDQ-UHFFFAOYSA-N 1 2 358.891 2.621 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Oc4ccccc4)nn3)CC2)nc1 ZINC000499064094 515186781 /nfs/dbraw/zinc/18/67/81/515186781.db2.gz GPNHZUIGUMWCJZ-UHFFFAOYSA-N 1 2 372.432 2.858 20 30 FFEDLO COc1ccc([C@@H](NC(=O)N2CCC(F)(C#N)CC2)c2[nH+]ccn2C)cc1 ZINC000476791936 515196380 /nfs/dbraw/zinc/19/63/80/515196380.db2.gz OOFPNENJDZHTJP-MRXNPFEDSA-N 1 2 371.416 2.555 20 30 FFEDLO Cc1ccc(OCCCC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(C)c1 ZINC000481207598 515246128 /nfs/dbraw/zinc/24/61/28/515246128.db2.gz MDQGFJLQFHQWHK-UHFFFAOYSA-N 1 2 373.497 2.537 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)c1ccc(F)c(F)c1 ZINC000477062913 515310600 /nfs/dbraw/zinc/31/06/00/515310600.db2.gz SSLIPRNOXHNTKQ-CXAGYDPISA-N 1 2 353.413 2.602 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)c1ccc(F)c(F)c1 ZINC000477062913 515310608 /nfs/dbraw/zinc/31/06/08/515310608.db2.gz SSLIPRNOXHNTKQ-CXAGYDPISA-N 1 2 353.413 2.602 20 30 FFEDLO C=C[C@@H](CC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)c1ccccc1 ZINC000472680483 515363901 /nfs/dbraw/zinc/36/39/01/515363901.db2.gz ZCWQJGFGFCJTND-IHPCNDPISA-N 1 2 370.472 2.809 20 30 FFEDLO C=C[C@@H](CC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)c1ccccc1 ZINC000472680483 515363910 /nfs/dbraw/zinc/36/39/10/515363910.db2.gz ZCWQJGFGFCJTND-IHPCNDPISA-N 1 2 370.472 2.809 20 30 FFEDLO C=CCN1CC[C@H](N2CC[N@@H+](Cc3ccc(C)nc3)C[C@@H]2[C@H](C)CC)C1=O ZINC000499569644 515373608 /nfs/dbraw/zinc/37/36/08/515373608.db2.gz CJKAXPTUTFJKOV-JRGCBEDISA-N 1 2 370.541 2.709 20 30 FFEDLO C=CCN1CC[C@H](N2CC[N@H+](Cc3ccc(C)nc3)C[C@@H]2[C@H](C)CC)C1=O ZINC000499569644 515373617 /nfs/dbraw/zinc/37/36/17/515373617.db2.gz CJKAXPTUTFJKOV-JRGCBEDISA-N 1 2 370.541 2.709 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459327779 515473487 /nfs/dbraw/zinc/47/34/87/515473487.db2.gz PMPPSHPEJBICIS-HOCLYGCPSA-N 1 2 358.442 2.983 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459327779 515473495 /nfs/dbraw/zinc/47/34/95/515473495.db2.gz PMPPSHPEJBICIS-HOCLYGCPSA-N 1 2 358.442 2.983 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459334865 515481501 /nfs/dbraw/zinc/48/15/01/515481501.db2.gz FOGWYAZALAIIKC-HNNXBMFYSA-N 1 2 351.410 2.740 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000499968535 515539896 /nfs/dbraw/zinc/53/98/96/515539896.db2.gz ZIPJIKZDSYVKAC-GFCCVEGCSA-N 1 2 353.806 2.674 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1=O ZINC000500024193 515561507 /nfs/dbraw/zinc/56/15/07/515561507.db2.gz KTZREZUGXKXUHM-SWLSCSKDSA-N 1 2 369.387 2.751 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1=O ZINC000500024193 515561512 /nfs/dbraw/zinc/56/15/12/515561512.db2.gz KTZREZUGXKXUHM-SWLSCSKDSA-N 1 2 369.387 2.751 20 30 FFEDLO N#Cc1ccc(OCc2ccc(C(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)o2)cc1 ZINC000492778369 515561997 /nfs/dbraw/zinc/56/19/97/515561997.db2.gz QNNNJNXOMQCXBI-CQSZACIVSA-N 1 2 362.389 2.741 20 30 FFEDLO N#Cc1ccc(OCc2ccc(C(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)o2)cc1 ZINC000492778369 515562009 /nfs/dbraw/zinc/56/20/09/515562009.db2.gz QNNNJNXOMQCXBI-CQSZACIVSA-N 1 2 362.389 2.741 20 30 FFEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000510625199 515612334 /nfs/dbraw/zinc/61/23/34/515612334.db2.gz RCCQEOBMLBIBQD-KRWDZBQOSA-N 1 2 355.356 2.818 20 30 FFEDLO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000510625199 515612339 /nfs/dbraw/zinc/61/23/39/515612339.db2.gz RCCQEOBMLBIBQD-KRWDZBQOSA-N 1 2 355.356 2.818 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000454755857 515720194 /nfs/dbraw/zinc/72/01/94/515720194.db2.gz JNPCRECXAGWKOH-WBVHZDCISA-N 1 2 356.426 2.817 20 30 FFEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@@H]1COc2ccccc2O1 ZINC000482641486 515747532 /nfs/dbraw/zinc/74/75/32/515747532.db2.gz YTTLIKYVDDEPNR-MRXNPFEDSA-N 1 2 362.389 2.880 20 30 FFEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@@H]1COc2ccccc2O1 ZINC000482641486 515747543 /nfs/dbraw/zinc/74/75/43/515747543.db2.gz YTTLIKYVDDEPNR-MRXNPFEDSA-N 1 2 362.389 2.880 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(CC(=O)N3CCCCCC3)CC2)cc1 ZINC000506125610 515788882 /nfs/dbraw/zinc/78/88/82/515788882.db2.gz NAMMGKQUJXTMMS-UHFFFAOYSA-N 1 2 371.525 2.772 20 30 FFEDLO C=CCOc1ccc(CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)cc1 ZINC000506125610 515788892 /nfs/dbraw/zinc/78/88/92/515788892.db2.gz NAMMGKQUJXTMMS-UHFFFAOYSA-N 1 2 371.525 2.772 20 30 FFEDLO N#Cc1cccc(F)c1CC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000506354964 515857009 /nfs/dbraw/zinc/85/70/09/515857009.db2.gz FHOHOSQPUHDYBZ-UHFFFAOYSA-N 1 2 352.413 2.942 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000459874122 515865392 /nfs/dbraw/zinc/86/53/92/515865392.db2.gz YBRCGMPQUJOPCL-NVXWUHKLSA-N 1 2 372.494 2.569 20 30 FFEDLO N#Cc1ccc(CSc2nnc(NC(=O)CCc3c[nH+]c[nH]3)s2)cc1 ZINC000478639592 515902867 /nfs/dbraw/zinc/90/28/67/515902867.db2.gz ZNLPNJVDPIJTNT-UHFFFAOYSA-N 1 2 370.463 2.996 20 30 FFEDLO N#Cc1ccc(CSc2nnc(NC(=O)CCc3c[nH]c[nH+]3)s2)cc1 ZINC000478639592 515902872 /nfs/dbraw/zinc/90/28/72/515902872.db2.gz ZNLPNJVDPIJTNT-UHFFFAOYSA-N 1 2 370.463 2.996 20 30 FFEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(C#N)o2)c2ccc(Cl)cc2)C1 ZINC000494633622 515904009 /nfs/dbraw/zinc/90/40/09/515904009.db2.gz XJQPKNHXNGDRQO-IRXDYDNUSA-N 1 2 359.813 2.606 20 30 FFEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(C#N)o2)c2ccc(Cl)cc2)C1 ZINC000494633622 515904015 /nfs/dbraw/zinc/90/40/15/515904015.db2.gz XJQPKNHXNGDRQO-IRXDYDNUSA-N 1 2 359.813 2.606 20 30 FFEDLO Cn1cc(C[NH+]2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1C#N ZINC000483162921 515964161 /nfs/dbraw/zinc/96/41/61/515964161.db2.gz YDFGXHNREMPLNC-UHFFFAOYSA-N 1 2 366.509 2.757 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000474425747 516040738 /nfs/dbraw/zinc/04/07/38/516040738.db2.gz IWDWTVLQUWZHQU-MRXNPFEDSA-N 1 2 351.797 2.860 20 30 FFEDLO N#CC1CC[NH+]([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000487989579 516067050 /nfs/dbraw/zinc/06/70/50/516067050.db2.gz DTXDIKBIIIGMKM-CQSZACIVSA-N 1 2 351.328 2.573 20 30 FFEDLO CN(C(=O)C[N@H+](C)C[C@@H]1OCCc2ccccc21)C1(C#N)CCCCC1 ZINC000507220767 516129360 /nfs/dbraw/zinc/12/93/60/516129360.db2.gz ZUYICIBWCHUMGS-IBGZPJMESA-N 1 2 355.482 2.917 20 30 FFEDLO CN(C(=O)C[N@@H+](C)C[C@@H]1OCCc2ccccc21)C1(C#N)CCCCC1 ZINC000507220767 516129373 /nfs/dbraw/zinc/12/93/73/516129373.db2.gz ZUYICIBWCHUMGS-IBGZPJMESA-N 1 2 355.482 2.917 20 30 FFEDLO C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@H](CO)O1 ZINC000470135865 516137563 /nfs/dbraw/zinc/13/75/63/516137563.db2.gz WIMDTLMLEXAQRY-KKSFZXQISA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@H](CO)O1 ZINC000470135865 516137569 /nfs/dbraw/zinc/13/75/69/516137569.db2.gz WIMDTLMLEXAQRY-KKSFZXQISA-N 1 2 352.434 2.719 20 30 FFEDLO N#CC[C@H](CC(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccccc1 ZINC000474700397 516162742 /nfs/dbraw/zinc/16/27/42/516162742.db2.gz DEZDFUMJIMPEKH-GOSISDBHSA-N 1 2 364.449 2.622 20 30 FFEDLO CC[C@H]1C[N@H+](CCNC(=O)c2cn(CCCC#N)c3ccccc23)CCO1 ZINC000470456826 516258872 /nfs/dbraw/zinc/25/88/72/516258872.db2.gz SVRBDZJBCSGGDT-KRWDZBQOSA-N 1 2 368.481 2.786 20 30 FFEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cn(CCCC#N)c3ccccc23)CCO1 ZINC000470456826 516258879 /nfs/dbraw/zinc/25/88/79/516258879.db2.gz SVRBDZJBCSGGDT-KRWDZBQOSA-N 1 2 368.481 2.786 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000501993353 516281375 /nfs/dbraw/zinc/28/13/75/516281375.db2.gz GHLAYDZGQRFWEH-QGZVFWFLSA-N 1 2 350.466 2.820 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000501993353 516281378 /nfs/dbraw/zinc/28/13/78/516281378.db2.gz GHLAYDZGQRFWEH-QGZVFWFLSA-N 1 2 350.466 2.820 20 30 FFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000512506415 516297389 /nfs/dbraw/zinc/29/73/89/516297389.db2.gz LKIPTHYRZPHGMB-INIZCTEOSA-N 1 2 363.506 2.712 20 30 FFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000512506415 516297391 /nfs/dbraw/zinc/29/73/91/516297391.db2.gz LKIPTHYRZPHGMB-INIZCTEOSA-N 1 2 363.506 2.712 20 30 FFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000512522174 516299781 /nfs/dbraw/zinc/29/97/81/516299781.db2.gz PNMSLHXFNQEUNI-GOSISDBHSA-N 1 2 370.501 2.771 20 30 FFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000512522174 516299784 /nfs/dbraw/zinc/29/97/84/516299784.db2.gz PNMSLHXFNQEUNI-GOSISDBHSA-N 1 2 370.501 2.771 20 30 FFEDLO C=CC[C@H](CC)NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000497264465 516303414 /nfs/dbraw/zinc/30/34/14/516303414.db2.gz XIWCYTVTSFNOBP-SFHVURJKSA-N 1 2 361.486 2.552 20 30 FFEDLO C=CCOc1ccc(CNc2nc3cc(OC)c(OC)cc3c(N)[nH+]2)cc1 ZINC000557681301 516379535 /nfs/dbraw/zinc/37/95/35/516379535.db2.gz FBCNWZJCPOSGKU-UHFFFAOYSA-N 1 2 366.421 2.658 20 30 FFEDLO COc1ccc([C@@H](Nc2nccc(C#N)c2Cl)c2[nH+]ccn2C)cc1 ZINC000561112487 516386494 /nfs/dbraw/zinc/38/64/94/516386494.db2.gz MTXKLDJRORXJQT-MRXNPFEDSA-N 1 2 353.813 2.972 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(c2ncccc2F)CC1 ZINC000535629226 516426654 /nfs/dbraw/zinc/42/66/54/516426654.db2.gz UIQCBEVLCUDUNK-GOSISDBHSA-N 1 2 371.456 2.511 20 30 FFEDLO CCOC(=O)c1[nH]c(C[NH+]2CCC(CC#N)CC2)c(C(=O)OCC)c1C ZINC000543811300 516439852 /nfs/dbraw/zinc/43/98/52/516439852.db2.gz QGAQBPBRPOESCS-UHFFFAOYSA-N 1 2 361.442 2.802 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](CC[S@](=O)c3ccccc3)CC2)c(F)c1 ZINC000517900538 516485494 /nfs/dbraw/zinc/48/54/94/516485494.db2.gz OTZLNZVBOCNVEQ-VWLOTQADSA-N 1 2 357.454 2.627 20 30 FFEDLO N#Cc1ccc(CC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cn1 ZINC000528523287 516501561 /nfs/dbraw/zinc/50/15/61/516501561.db2.gz URDHZBKGEDVGBL-INIZCTEOSA-N 1 2 370.403 2.555 20 30 FFEDLO N#Cc1ccc(CC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cn1 ZINC000528523287 516501568 /nfs/dbraw/zinc/50/15/68/516501568.db2.gz URDHZBKGEDVGBL-INIZCTEOSA-N 1 2 370.403 2.555 20 30 FFEDLO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000523567990 516506438 /nfs/dbraw/zinc/50/64/38/516506438.db2.gz NVGNYUDNELXUCG-UHFFFAOYSA-N 1 2 373.453 2.512 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)c(F)c1 ZINC000561307920 516514852 /nfs/dbraw/zinc/51/48/52/516514852.db2.gz FIXAEQCYYOIAGZ-HNNXBMFYSA-N 1 2 368.412 2.910 20 30 FFEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(Br)c(F)c1 ZINC000558118947 516601509 /nfs/dbraw/zinc/60/15/09/516601509.db2.gz SYZLNGNBHFUUHH-UHFFFAOYSA-N 1 2 354.223 2.582 20 30 FFEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(Br)c(F)c1 ZINC000558118947 516601515 /nfs/dbraw/zinc/60/15/15/516601515.db2.gz SYZLNGNBHFUUHH-UHFFFAOYSA-N 1 2 354.223 2.582 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)n1cnc(C#N)n1 ZINC000524092221 516642468 /nfs/dbraw/zinc/64/24/68/516642468.db2.gz FUHARYDKJOYEDK-ZDUSSCGKSA-N 1 2 361.409 2.549 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000551464457 516718442 /nfs/dbraw/zinc/71/84/42/516718442.db2.gz FOPWWVFLPPDCBN-CYBMUJFWSA-N 1 2 364.287 2.815 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2ccc(Br)cc2C1 ZINC000551464457 516718446 /nfs/dbraw/zinc/71/84/46/516718446.db2.gz FOPWWVFLPPDCBN-CYBMUJFWSA-N 1 2 364.287 2.815 20 30 FFEDLO Cn1cc(C[NH2+]Cc2n[nH]cc2Br)c(-c2ccc(C#N)cc2)n1 ZINC000540870725 516746372 /nfs/dbraw/zinc/74/63/72/516746372.db2.gz LZKJPQAMUQUAOU-UHFFFAOYSA-N 1 2 371.242 2.734 20 30 FFEDLO N#Cc1cc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)ccc1F ZINC000548079580 516750370 /nfs/dbraw/zinc/75/03/70/516750370.db2.gz HRWUZKMIVHEPEW-IBGZPJMESA-N 1 2 353.397 2.501 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H](Nc3nc(N)c4ccccc4[nH+]3)C2=O)cc1 ZINC000540940309 516788076 /nfs/dbraw/zinc/78/80/76/516788076.db2.gz NLJXWPMPHZTTJN-KRWDZBQOSA-N 1 2 358.405 2.522 20 30 FFEDLO N#Cc1cccc(NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000518977964 516839013 /nfs/dbraw/zinc/83/90/13/516839013.db2.gz RGCUHFAMCBWZRS-HXUWFJFHSA-N 1 2 364.449 2.623 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+](Cc3nnnn3Cc3ccccc3)CC2)cc1 ZINC000536596186 516842355 /nfs/dbraw/zinc/84/23/55/516842355.db2.gz RKVLAJQOEYONAO-UHFFFAOYSA-N 1 2 356.433 2.882 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3nnnn3Cc3ccccc3)CC2)cc1 ZINC000536596186 516842360 /nfs/dbraw/zinc/84/23/60/516842360.db2.gz RKVLAJQOEYONAO-UHFFFAOYSA-N 1 2 356.433 2.882 20 30 FFEDLO C[C@@H](NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc(F)cc1 ZINC000558629064 516846838 /nfs/dbraw/zinc/84/68/38/516846838.db2.gz NFWXMOHGPVWVKQ-MRXNPFEDSA-N 1 2 366.440 2.955 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000514108995 516865233 /nfs/dbraw/zinc/86/52/33/516865233.db2.gz IJPXSZHDBONZLV-IEBWSBKVSA-N 1 2 373.497 2.684 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000514108995 516865242 /nfs/dbraw/zinc/86/52/42/516865242.db2.gz IJPXSZHDBONZLV-IEBWSBKVSA-N 1 2 373.497 2.684 20 30 FFEDLO N#Cc1ccc(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)s1 ZINC000558693645 516892956 /nfs/dbraw/zinc/89/29/56/516892956.db2.gz KMNMZGSFQYPUER-OAHLLOKOSA-N 1 2 357.504 2.967 20 30 FFEDLO N#Cc1ccc(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)s1 ZINC000558693645 516892966 /nfs/dbraw/zinc/89/29/66/516892966.db2.gz KMNMZGSFQYPUER-OAHLLOKOSA-N 1 2 357.504 2.967 20 30 FFEDLO COc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc(Cl)c1OCC(C)C ZINC000555482767 516942020 /nfs/dbraw/zinc/94/20/20/516942020.db2.gz KTAWDZTULJNUBA-GOSISDBHSA-N 1 2 367.877 2.957 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000519341367 516965658 /nfs/dbraw/zinc/96/56/58/516965658.db2.gz VAHJXGAFXPWHOT-DNVCBOLYSA-N 1 2 359.445 2.962 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000519341367 516965668 /nfs/dbraw/zinc/96/56/68/516965668.db2.gz VAHJXGAFXPWHOT-DNVCBOLYSA-N 1 2 359.445 2.962 20 30 FFEDLO Cn1c(C[NH+]2CCN(c3cccc(C#N)n3)CC2)nc2ccc(Cl)cc21 ZINC000544931628 516992887 /nfs/dbraw/zinc/99/28/87/516992887.db2.gz LTQUMSFNTBTIKL-UHFFFAOYSA-N 1 2 366.856 2.816 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1ccccc1Cc1ccccc1 ZINC000558898654 516993491 /nfs/dbraw/zinc/99/34/91/516993491.db2.gz JHAIIZZPIVBILH-OAQYLSRUSA-N 1 2 351.450 2.616 20 30 FFEDLO O=C(NCC#Cc1cccc(F)c1)NCCNc1ccc2ccccc2[nH+]1 ZINC000558955190 517017229 /nfs/dbraw/zinc/01/72/29/517017229.db2.gz VGFPTDBESQIFJL-UHFFFAOYSA-N 1 2 362.408 2.559 20 30 FFEDLO Cc1ccccc1-n1nccc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000562375621 517063826 /nfs/dbraw/zinc/06/38/26/517063826.db2.gz IHGZHVSEAJJZCR-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000562379310 517064899 /nfs/dbraw/zinc/06/48/99/517064899.db2.gz MCMBAKUCVOVSEE-AWEZNQCLSA-N 1 2 369.856 2.756 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000519648722 517105643 /nfs/dbraw/zinc/10/56/43/517105643.db2.gz KBJZRUGQOSSIML-HXUWFJFHSA-N 1 2 350.422 2.513 20 30 FFEDLO C=CCCCCCN(C)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000555802235 517132161 /nfs/dbraw/zinc/13/21/61/517132161.db2.gz BSYBJKPMGVVQAE-SFHVURJKSA-N 1 2 368.481 2.831 20 30 FFEDLO Cc1nc(NCc2cccc(C(=O)NCc3cccc(C#N)c3)c2)cc[nH+]1 ZINC000541679942 517168505 /nfs/dbraw/zinc/16/85/05/517168505.db2.gz JWZBVQVZYIXBFC-UHFFFAOYSA-N 1 2 357.417 2.621 20 30 FFEDLO CCOc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(F)cc1OC ZINC000529521520 517195673 /nfs/dbraw/zinc/19/56/73/517195673.db2.gz RQHNFUXLCGJYQZ-UHFFFAOYSA-N 1 2 370.428 2.822 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000515197571 517248683 /nfs/dbraw/zinc/24/86/83/517248683.db2.gz IGITWJOXVGDESY-UHFFFAOYSA-N 1 2 372.432 2.858 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCN(C(=O)N(C)C)CC2(C)C)cc1OC ZINC000545558293 517292959 /nfs/dbraw/zinc/29/29/59/517292959.db2.gz QKGQJDFAENVUDC-UHFFFAOYSA-N 1 2 361.486 2.838 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCN(C(=O)N(C)C)CC2(C)C)cc1OC ZINC000545558293 517292967 /nfs/dbraw/zinc/29/29/67/517292967.db2.gz QKGQJDFAENVUDC-UHFFFAOYSA-N 1 2 361.486 2.838 20 30 FFEDLO CCc1cc(N)nc(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)[nH+]1 ZINC000520214821 517300988 /nfs/dbraw/zinc/30/09/88/517300988.db2.gz DBLDJFMOVGAUEO-YNAXMUEKSA-N 1 2 361.515 2.863 20 30 FFEDLO CCc1cc(N)nc(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)[nH+]1 ZINC000520214819 517302201 /nfs/dbraw/zinc/30/22/01/517302201.db2.gz DBLDJFMOVGAUEO-XYEKJYRLSA-N 1 2 361.515 2.863 20 30 FFEDLO CCOc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)nc2nc(C(F)(F)F)nn21 ZINC000533137119 517313888 /nfs/dbraw/zinc/31/38/88/517313888.db2.gz XRYVWBRNKQHZQI-SNVBAGLBSA-N 1 2 368.363 2.666 20 30 FFEDLO CCOc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)nc2nc(C(F)(F)F)nn21 ZINC000533137119 517313898 /nfs/dbraw/zinc/31/38/98/517313898.db2.gz XRYVWBRNKQHZQI-SNVBAGLBSA-N 1 2 368.363 2.666 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000556258577 517340456 /nfs/dbraw/zinc/34/04/56/517340456.db2.gz FUWUFYHISOJWHH-HNNXBMFYSA-N 1 2 360.889 2.803 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000556258577 517340465 /nfs/dbraw/zinc/34/04/65/517340465.db2.gz FUWUFYHISOJWHH-HNNXBMFYSA-N 1 2 360.889 2.803 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000526114298 517352473 /nfs/dbraw/zinc/35/24/73/517352473.db2.gz KFHFYVIHUZVVSJ-UHFFFAOYSA-N 1 2 350.451 2.727 20 30 FFEDLO N#CCc1cccc(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)c1 ZINC000515573691 517409619 /nfs/dbraw/zinc/40/96/19/517409619.db2.gz MWPOPJDGEJFESN-UHFFFAOYSA-N 1 2 361.405 2.718 20 30 FFEDLO COc1cc(C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N)c(SC)cc1OC ZINC000533429283 517458036 /nfs/dbraw/zinc/45/80/36/517458036.db2.gz CDWBBWXPEVYNFF-CYBMUJFWSA-N 1 2 365.499 2.618 20 30 FFEDLO COc1cc(C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N)c(SC)cc1OC ZINC000533429283 517458043 /nfs/dbraw/zinc/45/80/43/517458043.db2.gz CDWBBWXPEVYNFF-CYBMUJFWSA-N 1 2 365.499 2.618 20 30 FFEDLO C=CCOc1cccnc1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000538253797 517527043 /nfs/dbraw/zinc/52/70/43/517527043.db2.gz BZTKTJBEKWPUIG-OAHLLOKOSA-N 1 2 361.392 2.957 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCCc2c(cnn2C)C1 ZINC000516009816 517538768 /nfs/dbraw/zinc/53/87/68/517538768.db2.gz OUOVLFJDHCNPJG-GFCCVEGCSA-N 1 2 357.845 2.721 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCCc2c(cnn2C)C1 ZINC000516009816 517538773 /nfs/dbraw/zinc/53/87/73/517538773.db2.gz OUOVLFJDHCNPJG-GFCCVEGCSA-N 1 2 357.845 2.721 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](CCOc3ccc(F)cc3Cl)CC2)n1 ZINC000546209669 517599121 /nfs/dbraw/zinc/59/91/21/517599121.db2.gz KTHMJUGFPCALQC-UHFFFAOYSA-N 1 2 360.820 2.947 20 30 FFEDLO N#CCCN(C(=O)CN1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000533808612 517621277 /nfs/dbraw/zinc/62/12/77/517621277.db2.gz XLAJMCPPRIPKKM-UHFFFAOYSA-N 1 2 368.506 2.813 20 30 FFEDLO COc1cc2c(cc1C[NH+]1CCN(c3ccc(C#N)cc3F)CC1)OCO2 ZINC000546268992 517622296 /nfs/dbraw/zinc/62/22/96/517622296.db2.gz NIWXCRLTCJDJMU-UHFFFAOYSA-N 1 2 369.396 2.757 20 30 FFEDLO C=CC[C@H](CC)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000538502094 517644454 /nfs/dbraw/zinc/64/44/54/517644454.db2.gz VWMXHVSNVODMPO-HOTGVXAUSA-N 1 2 350.532 2.691 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527377742 517667422 /nfs/dbraw/zinc/66/74/22/517667422.db2.gz RQVIZLSUYQQSMQ-OAGGEKHMSA-N 1 2 361.486 2.524 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527377742 517667428 /nfs/dbraw/zinc/66/74/28/517667428.db2.gz RQVIZLSUYQQSMQ-OAGGEKHMSA-N 1 2 361.486 2.524 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000538663824 517708759 /nfs/dbraw/zinc/70/87/59/517708759.db2.gz GSYDQYYWXMOUPB-GOEBONIOSA-N 1 2 373.526 2.957 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000538663824 517708769 /nfs/dbraw/zinc/70/87/69/517708769.db2.gz GSYDQYYWXMOUPB-GOEBONIOSA-N 1 2 373.526 2.957 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000538663824 517708779 /nfs/dbraw/zinc/70/87/79/517708779.db2.gz GSYDQYYWXMOUPB-GOEBONIOSA-N 1 2 373.526 2.957 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000538663824 517708787 /nfs/dbraw/zinc/70/87/87/517708787.db2.gz GSYDQYYWXMOUPB-GOEBONIOSA-N 1 2 373.526 2.957 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000538663824 517708795 /nfs/dbraw/zinc/70/87/95/517708795.db2.gz GSYDQYYWXMOUPB-GOEBONIOSA-N 1 2 373.526 2.957 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000538663824 517708807 /nfs/dbraw/zinc/70/88/07/517708807.db2.gz GSYDQYYWXMOUPB-GOEBONIOSA-N 1 2 373.526 2.957 20 30 FFEDLO CC[C@@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1[nH]cc[nH+]1 ZINC000560628766 517941707 /nfs/dbraw/zinc/94/17/07/517941707.db2.gz GELDDXHODOJHLG-MRXNPFEDSA-N 1 2 355.417 2.904 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000522123569 517993153 /nfs/dbraw/zinc/99/31/53/517993153.db2.gz ZUMKARSLFWKCNB-QGZVFWFLSA-N 1 2 354.458 2.823 20 30 FFEDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c2[nH+]ccn21 ZINC000517072237 518011222 /nfs/dbraw/zinc/01/12/22/518011222.db2.gz VDZWPDLEHCWLFC-NOZJJQNGSA-N 1 2 370.356 2.758 20 30 FFEDLO CC(C)(C)c1ncc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000554206641 518104013 /nfs/dbraw/zinc/10/40/13/518104013.db2.gz LDOHJMDRFBHPAV-UHFFFAOYSA-N 1 2 363.465 2.604 20 30 FFEDLO N#Cc1ccc(C2=CCN(c3nc(NCCO)c4ccccc4[nH+]3)CC2)cc1 ZINC000535051398 518137711 /nfs/dbraw/zinc/13/77/11/518137711.db2.gz CTYGNSZBJZCOBC-UHFFFAOYSA-N 1 2 371.444 2.621 20 30 FFEDLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NC[C@@H](C)C#N)c2c1C ZINC000531121091 518144015 /nfs/dbraw/zinc/14/40/15/518144015.db2.gz QAFLAOACCNNWLD-JTQLQIEISA-N 1 2 361.471 2.810 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](C)[C@@H](CO)c2ccc(OC)cc2)c1C#N ZINC000535204479 518165309 /nfs/dbraw/zinc/16/53/09/518165309.db2.gz CLUWFDWHCPWHAG-IBGZPJMESA-N 1 2 354.406 2.519 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](C)[C@@H](CO)c2ccc(OC)cc2)c1C#N ZINC000535204479 518165311 /nfs/dbraw/zinc/16/53/11/518165311.db2.gz CLUWFDWHCPWHAG-IBGZPJMESA-N 1 2 354.406 2.519 20 30 FFEDLO Cc1cc(S(=O)(=O)Nc2cc[nH+]c(C)c2Br)ccc1C#N ZINC000566776801 518204230 /nfs/dbraw/zinc/20/42/30/518204230.db2.gz BAVRIUBNIFYMQN-UHFFFAOYSA-N 1 2 366.240 2.555 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)C1CC1 ZINC000578566271 518267351 /nfs/dbraw/zinc/26/73/51/518267351.db2.gz KCWSTWIEQKYVPX-KRWDZBQOSA-N 1 2 364.453 2.533 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCCc2c(cnn2C)C1 ZINC000584396960 518320080 /nfs/dbraw/zinc/32/00/80/518320080.db2.gz KPNXHNUHCJPGPZ-GFCCVEGCSA-N 1 2 369.494 2.617 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCCc2c(cnn2C)C1 ZINC000584396960 518320085 /nfs/dbraw/zinc/32/00/85/518320085.db2.gz KPNXHNUHCJPGPZ-GFCCVEGCSA-N 1 2 369.494 2.617 20 30 FFEDLO N#C[C@@H]1CN(C(=O)[C@H](c2c(F)cccc2Cl)[NH+]2CCCCC2)CCO1 ZINC000575905839 518338229 /nfs/dbraw/zinc/33/82/29/518338229.db2.gz LILGTOSWAWTXMR-DYVFJYSZSA-N 1 2 365.836 2.757 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc1OC(F)F ZINC000584446832 518344186 /nfs/dbraw/zinc/34/41/86/518344186.db2.gz ZHZTVGLGHVNPMP-UHFFFAOYSA-N 1 2 374.391 2.885 20 30 FFEDLO C[C@H]1C[C@@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c2[nH+]ccn21 ZINC000581591840 518360977 /nfs/dbraw/zinc/36/09/77/518360977.db2.gz GDKHPJJKQKQBOD-SUMWQHHRSA-N 1 2 367.428 2.932 20 30 FFEDLO C=CCNc1ncc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000582043019 518558338 /nfs/dbraw/zinc/55/83/38/518558338.db2.gz UHFAFQLHQKSAME-UHFFFAOYSA-N 1 2 371.510 2.716 20 30 FFEDLO COc1cc(C)c(C[NH+]2CCN(c3snc(C)c3C#N)CC2)c(C)n1 ZINC000576749373 518743779 /nfs/dbraw/zinc/74/37/79/518743779.db2.gz IDWFRFSAHGQMMC-UHFFFAOYSA-N 1 2 357.483 2.666 20 30 FFEDLO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000589503438 519020415 /nfs/dbraw/zinc/02/04/15/519020415.db2.gz QPUJZUBNCAFBQU-LLVKDONJSA-N 1 2 360.405 2.638 20 30 FFEDLO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000589503438 519020421 /nfs/dbraw/zinc/02/04/21/519020421.db2.gz QPUJZUBNCAFBQU-LLVKDONJSA-N 1 2 360.405 2.638 20 30 FFEDLO CCc1oc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1C(=O)OC ZINC000589520671 519023735 /nfs/dbraw/zinc/02/37/35/519023735.db2.gz POLIVJZDJORJQH-UHFFFAOYSA-N 1 2 374.466 2.587 20 30 FFEDLO CCCOc1cc(O)ccc1[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000574271082 519073740 /nfs/dbraw/zinc/07/37/40/519073740.db2.gz PUEYNWNPPUVPQF-UHFFFAOYSA-N 1 2 360.435 2.938 20 30 FFEDLO N#Cc1ccc(NC(=O)CCN2CC[NH+](Cc3ccco3)CC2)cc1Cl ZINC000589929658 519105972 /nfs/dbraw/zinc/10/59/72/519105972.db2.gz MHYBQRMACVSVDK-UHFFFAOYSA-N 1 2 372.856 2.951 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000568582000 519110243 /nfs/dbraw/zinc/11/02/43/519110243.db2.gz NSBGGLJPDRXWEN-RHSMWYFYSA-N 1 2 368.412 2.963 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000568582000 519110247 /nfs/dbraw/zinc/11/02/47/519110247.db2.gz NSBGGLJPDRXWEN-RHSMWYFYSA-N 1 2 368.412 2.963 20 30 FFEDLO CC(C)(C)c1csc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000580434764 519174026 /nfs/dbraw/zinc/17/40/26/519174026.db2.gz FOIWICBLPMDKIY-UHFFFAOYSA-N 1 2 363.508 2.876 20 30 FFEDLO C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000568769005 519206485 /nfs/dbraw/zinc/20/64/85/519206485.db2.gz OADIFVBSKRBEFA-WBMJQRKESA-N 1 2 352.276 2.588 20 30 FFEDLO Cc1oc2nc(C[N@H+](C)CCOCc3ccc(C#N)cc3)nc(N)c2c1C ZINC000574551907 519212712 /nfs/dbraw/zinc/21/27/12/519212712.db2.gz PBEJJMGHOHSMKF-UHFFFAOYSA-N 1 2 365.437 2.942 20 30 FFEDLO Cc1oc2nc(C[N@@H+](C)CCOCc3ccc(C#N)cc3)nc(N)c2c1C ZINC000574551907 519212719 /nfs/dbraw/zinc/21/27/19/519212719.db2.gz PBEJJMGHOHSMKF-UHFFFAOYSA-N 1 2 365.437 2.942 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC(CC#N)CC1)c1cccc(F)c1 ZINC000580614597 519264349 /nfs/dbraw/zinc/26/43/49/519264349.db2.gz PVUWKYBEJRBHQD-QGZVFWFLSA-N 1 2 355.417 2.984 20 30 FFEDLO C=CCOc1cccc(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)c1 ZINC000577905766 519316321 /nfs/dbraw/zinc/31/63/21/519316321.db2.gz LIXKBFIBFADYMI-SFHVURJKSA-N 1 2 370.453 2.687 20 30 FFEDLO C=CCOc1cccc(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)c1 ZINC000577905766 519316326 /nfs/dbraw/zinc/31/63/26/519316326.db2.gz LIXKBFIBFADYMI-SFHVURJKSA-N 1 2 370.453 2.687 20 30 FFEDLO C=CCCOCC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000590691051 519319112 /nfs/dbraw/zinc/31/91/12/519319112.db2.gz RUBIXZLNAHUBIR-UHFFFAOYSA-N 1 2 353.426 2.854 20 30 FFEDLO COc1cc(C[NH2+]Cc2csc(N(C(C)=O)C3CC3)n2)ccc1C#N ZINC000583593961 519328386 /nfs/dbraw/zinc/32/83/86/519328386.db2.gz AEYTZVFZMUJGEX-UHFFFAOYSA-N 1 2 356.451 2.828 20 30 FFEDLO CC(C)OCc1nc([C@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)no1 ZINC000569038432 519343058 /nfs/dbraw/zinc/34/30/58/519343058.db2.gz SJCPHBHFMBMIER-NSHDSACASA-N 1 2 363.443 2.607 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000583776088 519427209 /nfs/dbraw/zinc/42/72/09/519427209.db2.gz PYAHJIYWXBHRTA-UHFFFAOYSA-N 1 2 370.840 2.700 20 30 FFEDLO CN1C(=O)C[C@H]([NH2+]Cc2nc(C#N)cs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000583841890 519459798 /nfs/dbraw/zinc/45/97/98/519459798.db2.gz QJQOQCXZCMFMHG-BBRMVZONSA-N 1 2 364.833 2.869 20 30 FFEDLO Cc1oncc1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000584145973 519610573 /nfs/dbraw/zinc/61/05/73/519610573.db2.gz ZNIGCVDEEWIABG-HOCLYGCPSA-N 1 2 359.361 2.787 20 30 FFEDLO Cc1oncc1C[N@H+]1C[C@@H](F)C[C@H]1CNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000584145973 519610581 /nfs/dbraw/zinc/61/05/81/519610581.db2.gz ZNIGCVDEEWIABG-HOCLYGCPSA-N 1 2 359.361 2.787 20 30 FFEDLO CC[C@H](NC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000602855287 519925800 /nfs/dbraw/zinc/92/58/00/519925800.db2.gz HERXNQXFEGYOCB-MPGHIAIKSA-N 1 2 362.905 2.825 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](c3cccnc3)C2)C1=O ZINC000602854116 519925909 /nfs/dbraw/zinc/92/59/09/519925909.db2.gz NBLURIZCKPPQAS-IAGOWNOFSA-N 1 2 352.463 3.000 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](c3cccnc3)C2)C1=O ZINC000602854116 519925918 /nfs/dbraw/zinc/92/59/18/519925918.db2.gz NBLURIZCKPPQAS-IAGOWNOFSA-N 1 2 352.463 3.000 20 30 FFEDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C[C@H](C)N1CC#N ZINC000602852603 519927144 /nfs/dbraw/zinc/92/71/44/519927144.db2.gz DDWMGSVNHWYOJR-AHIWAGSCSA-N 1 2 364.852 2.503 20 30 FFEDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C[C@H](C)N1CC#N ZINC000602852603 519927146 /nfs/dbraw/zinc/92/71/46/519927146.db2.gz DDWMGSVNHWYOJR-AHIWAGSCSA-N 1 2 364.852 2.503 20 30 FFEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000602868618 519937654 /nfs/dbraw/zinc/93/76/54/519937654.db2.gz JWWHYILVMHKENR-ZJUUUORDSA-N 1 2 357.195 2.510 20 30 FFEDLO COCCN(CCC#N)Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000612399053 519939086 /nfs/dbraw/zinc/93/90/86/519939086.db2.gz DCIFYHCQJRZVKK-UHFFFAOYSA-N 1 2 351.248 2.767 20 30 FFEDLO CO[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 ZINC000602900609 519960687 /nfs/dbraw/zinc/96/06/87/519960687.db2.gz ZPUNDBMJNPCHRH-KRWDZBQOSA-N 1 2 363.483 2.522 20 30 FFEDLO CO[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 ZINC000602900609 519960693 /nfs/dbraw/zinc/96/06/93/519960693.db2.gz ZPUNDBMJNPCHRH-KRWDZBQOSA-N 1 2 363.483 2.522 20 30 FFEDLO Cc1cccc(C)c1-n1nnnc1C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909766 519967227 /nfs/dbraw/zinc/96/72/27/519967227.db2.gz OCYBEGIESAOVSV-UHFFFAOYSA-N 1 2 373.464 2.925 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNc3cccc(-n4cccn4)c3C#N)c[nH+]2)CCO1 ZINC000594544798 520019984 /nfs/dbraw/zinc/01/99/84/520019984.db2.gz SFNFLWUTZXQWPU-MRXNPFEDSA-N 1 2 374.448 2.976 20 30 FFEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000591858677 520063517 /nfs/dbraw/zinc/06/35/17/520063517.db2.gz ARRIRSKBQBHRNI-FUHWJXTLSA-N 1 2 356.470 2.523 20 30 FFEDLO Cc1cc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ncc1C#N ZINC000603116003 520088990 /nfs/dbraw/zinc/08/89/90/520088990.db2.gz UDIUWIYNBNUMBQ-HNNXBMFYSA-N 1 2 364.453 2.628 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000608800615 520132123 /nfs/dbraw/zinc/13/21/23/520132123.db2.gz SNVLAPGKBITYKG-UXHICEINSA-N 1 2 371.460 2.635 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000608800615 520132132 /nfs/dbraw/zinc/13/21/32/520132132.db2.gz SNVLAPGKBITYKG-UXHICEINSA-N 1 2 371.460 2.635 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000594756946 520137186 /nfs/dbraw/zinc/13/71/86/520137186.db2.gz FCYOWABZFBMOTF-OAHLLOKOSA-N 1 2 373.503 2.716 20 30 FFEDLO CCOC(=O)C1CC[NH+](Cc2cn([C@@H](C)c3ccc(C#N)cc3)nn2)CC1 ZINC000603226788 520168124 /nfs/dbraw/zinc/16/81/24/520168124.db2.gz HRYSKFCVTKBAOB-HNNXBMFYSA-N 1 2 367.453 2.534 20 30 FFEDLO CCOC(=O)C1CC[NH+](Cc2cn([C@H](C)c3cccc(C#N)c3)nn2)CC1 ZINC000603237371 520174682 /nfs/dbraw/zinc/17/46/82/520174682.db2.gz XAYIDNWXDXMQFO-OAHLLOKOSA-N 1 2 367.453 2.534 20 30 FFEDLO Cc1cc2[nH+]cn(Cc3cn(C[C@H](O)CC(C)(C)C#N)nn3)c2cc1C ZINC000603267681 520189616 /nfs/dbraw/zinc/18/96/16/520189616.db2.gz QFXADGIPHKZZEC-MRXNPFEDSA-N 1 2 352.442 2.594 20 30 FFEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000600422369 520252621 /nfs/dbraw/zinc/25/26/21/520252621.db2.gz VGNFRPGZFRJKEY-INIZCTEOSA-N 1 2 367.474 2.770 20 30 FFEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000600422369 520252632 /nfs/dbraw/zinc/25/26/32/520252632.db2.gz VGNFRPGZFRJKEY-INIZCTEOSA-N 1 2 367.474 2.770 20 30 FFEDLO N#CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000595081838 520284059 /nfs/dbraw/zinc/28/40/59/520284059.db2.gz KKACFAVAVPUAQV-OAHLLOKOSA-N 1 2 364.405 2.965 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000609379548 520298758 /nfs/dbraw/zinc/29/87/58/520298758.db2.gz SUEUYOGVQQUYLC-IBGZPJMESA-N 1 2 355.482 2.571 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000609459756 520320113 /nfs/dbraw/zinc/32/01/13/520320113.db2.gz XRYCUDHDBVIBKX-LJQANCHMSA-N 1 2 363.465 2.931 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000609459755 520320482 /nfs/dbraw/zinc/32/04/82/520320482.db2.gz XRYCUDHDBVIBKX-IBGZPJMESA-N 1 2 363.465 2.931 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)NCc2ccccc2Cl)CC1 ZINC000609538778 520347280 /nfs/dbraw/zinc/34/72/80/520347280.db2.gz XRWGQNFJCVYBBR-CRAIPNDOSA-N 1 2 362.905 2.510 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597992823 520365398 /nfs/dbraw/zinc/36/53/98/520365398.db2.gz DBGRQSDBRRZJQS-QWHCGFSZSA-N 1 2 357.479 2.920 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597992823 520365411 /nfs/dbraw/zinc/36/54/11/520365411.db2.gz DBGRQSDBRRZJQS-QWHCGFSZSA-N 1 2 357.479 2.920 20 30 FFEDLO CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2ccccc2C#N)c[nH+]1 ZINC000603903609 520399349 /nfs/dbraw/zinc/39/93/49/520399349.db2.gz FKNLGLHKFHAJLE-OAHLLOKOSA-N 1 2 352.438 2.883 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](C)[C@H](C)CC#N)c1CN(C)[C@@H](C)CC#N ZINC000595342911 520418845 /nfs/dbraw/zinc/41/88/45/520418845.db2.gz CFYFQECHWMWUPW-CVEARBPZSA-N 1 2 356.470 2.941 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)CC#N)c1CN(C)[C@@H](C)CC#N ZINC000595342911 520418851 /nfs/dbraw/zinc/41/88/51/520418851.db2.gz CFYFQECHWMWUPW-CVEARBPZSA-N 1 2 356.470 2.941 20 30 FFEDLO N#C[C@@H](Cc1ccccc1)n1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000609750682 520421343 /nfs/dbraw/zinc/42/13/43/520421343.db2.gz TWFPLNPHEOFESG-WOJBJXKFSA-N 1 2 374.448 2.554 20 30 FFEDLO N#C[C@@H](Cc1ccccc1)n1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000609750682 520421350 /nfs/dbraw/zinc/42/13/50/520421350.db2.gz TWFPLNPHEOFESG-WOJBJXKFSA-N 1 2 374.448 2.554 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000592526363 520438895 /nfs/dbraw/zinc/43/88/95/520438895.db2.gz XYWTWBZHXNIYBX-CQSZACIVSA-N 1 2 361.186 2.901 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000592526363 520438904 /nfs/dbraw/zinc/43/89/04/520438904.db2.gz XYWTWBZHXNIYBX-CQSZACIVSA-N 1 2 361.186 2.901 20 30 FFEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CCCC[C@H]4NC3=O)CC2)c(Cl)c1 ZINC000595463805 520487372 /nfs/dbraw/zinc/48/73/72/520487372.db2.gz AAMZPOXFXCVWFY-SZVBFZGTSA-N 1 2 372.900 2.781 20 30 FFEDLO CC(C)CCNC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000600829479 520491740 /nfs/dbraw/zinc/49/17/40/520491740.db2.gz JESACIHZKIKQIF-LPHOPBHVSA-N 1 2 360.477 2.559 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@@H](C(F)(F)F)C1)CCC2 ZINC000610079332 520530400 /nfs/dbraw/zinc/53/04/00/520530400.db2.gz PYJAGCCKPATBBY-CYBMUJFWSA-N 1 2 373.400 2.700 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@@H](C(F)(F)F)C1)CCC2 ZINC000610079332 520530403 /nfs/dbraw/zinc/53/04/03/520530403.db2.gz PYJAGCCKPATBBY-CYBMUJFWSA-N 1 2 373.400 2.700 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(O)c(Cl)c3)CC2)cc1 ZINC000600946719 520552930 /nfs/dbraw/zinc/55/29/30/520552930.db2.gz WVIOGMSRTGWFRB-UHFFFAOYSA-N 1 2 369.852 2.804 20 30 FFEDLO CCN1C[C@@H](C[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)Oc2ccccc21 ZINC000610183918 520571302 /nfs/dbraw/zinc/57/13/02/520571302.db2.gz UAZFKBNCUHPWDV-GOSISDBHSA-N 1 2 364.449 2.716 20 30 FFEDLO CCN1C[C@@H](C[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)Oc2ccccc21 ZINC000610183918 520571310 /nfs/dbraw/zinc/57/13/10/520571310.db2.gz UAZFKBNCUHPWDV-GOSISDBHSA-N 1 2 364.449 2.716 20 30 FFEDLO C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595631790 520609859 /nfs/dbraw/zinc/60/98/59/520609859.db2.gz HVJKSAWNXKMMBM-CQSZACIVSA-N 1 2 372.469 2.586 20 30 FFEDLO N#Cc1sccc1N1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000595636659 520612850 /nfs/dbraw/zinc/61/28/50/520612850.db2.gz HEAVFHYQDRBDNZ-UHFFFAOYSA-N 1 2 353.407 2.722 20 30 FFEDLO CC(C)c1ccc2c(c1)C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)CC2 ZINC000595656552 520627058 /nfs/dbraw/zinc/62/70/58/520627058.db2.gz BQBKFROKGVDKCO-UHFFFAOYSA-N 1 2 369.490 2.909 20 30 FFEDLO CC(C)c1ccc2c(c1)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)CC2 ZINC000595656552 520627065 /nfs/dbraw/zinc/62/70/65/520627065.db2.gz BQBKFROKGVDKCO-UHFFFAOYSA-N 1 2 369.490 2.909 20 30 FFEDLO CC[C@@]1(O)CCCN(c2cc(C)[nH+]c(N3CCC[C@@](O)(CC)C3)c2C#N)C1 ZINC000601233678 520699859 /nfs/dbraw/zinc/69/98/59/520699859.db2.gz MSIPCFUKNKUSCG-RTWAWAEBSA-N 1 2 372.513 2.744 20 30 FFEDLO COc1ccc(C2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)nc1 ZINC000593040522 520700856 /nfs/dbraw/zinc/70/08/56/520700856.db2.gz GVWFXZJNUKDFLU-UHFFFAOYSA-N 1 2 356.451 2.841 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000595829328 520753456 /nfs/dbraw/zinc/75/34/56/520753456.db2.gz PNMYTTLPXGTRLS-FZMZJTMJSA-N 1 2 358.269 2.625 20 30 FFEDLO C[C@@H]1CCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000610729884 520818195 /nfs/dbraw/zinc/81/81/95/520818195.db2.gz NFOCCWXXQNTEOE-LSTHTHJFSA-N 1 2 363.465 2.833 20 30 FFEDLO C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@](C)(C(F)F)O1 ZINC000595913509 520819968 /nfs/dbraw/zinc/81/99/68/520819968.db2.gz FLGISEVEGMHQEA-NRXGSXMXSA-N 1 2 363.408 2.798 20 30 FFEDLO C[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@](C)(C(F)F)O1 ZINC000595913509 520819978 /nfs/dbraw/zinc/81/99/78/520819978.db2.gz FLGISEVEGMHQEA-NRXGSXMXSA-N 1 2 363.408 2.798 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610904325 520899131 /nfs/dbraw/zinc/89/91/31/520899131.db2.gz SZTWELUEOSEMQR-CQSZACIVSA-N 1 2 365.437 2.981 20 30 FFEDLO Cc1ccc(C#N)nc1N1CC[NH+]([C@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000596081294 520901621 /nfs/dbraw/zinc/90/16/21/520901621.db2.gz UHJRIBKYOPJMFW-OAHLLOKOSA-N 1 2 367.428 2.550 20 30 FFEDLO N#Cc1ccc(N2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)c(Cl)c1 ZINC000618172972 520917249 /nfs/dbraw/zinc/91/72/49/520917249.db2.gz NEWBKUFKTNMNQM-UHFFFAOYSA-N 1 2 365.828 2.514 20 30 FFEDLO CCC[C@H]1C[N@H+](Cc2ccnc(C#N)c2)CCN1Cc1ccnc(C#N)c1 ZINC000610995083 520935404 /nfs/dbraw/zinc/93/54/04/520935404.db2.gz BOFYVNBMIFLPRG-NRFANRHFSA-N 1 2 360.465 2.706 20 30 FFEDLO CCC[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCN1Cc1ccnc(C#N)c1 ZINC000610995083 520935413 /nfs/dbraw/zinc/93/54/13/520935413.db2.gz BOFYVNBMIFLPRG-NRFANRHFSA-N 1 2 360.465 2.706 20 30 FFEDLO Cc1cc(N2CCO[C@H](C(C)C)C2)c(C#N)c(N2CCO[C@H](C(C)C)C2)[nH+]1 ZINC000596187540 520959571 /nfs/dbraw/zinc/95/95/71/520959571.db2.gz QAJDROGZRASYPX-PMACEKPBSA-N 1 2 372.513 2.984 20 30 FFEDLO CN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)[C@@H]1CCC[C@@H]1C#N ZINC000601813083 520964461 /nfs/dbraw/zinc/96/44/61/520964461.db2.gz UHXZSHCHXKFFFP-SJLPKXTDSA-N 1 2 365.437 2.676 20 30 FFEDLO N#C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1cccc(Br)c1 ZINC000593443885 520993968 /nfs/dbraw/zinc/99/39/68/520993968.db2.gz KFCODLWRJOCIMW-HNNXBMFYSA-N 1 2 373.254 2.905 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+]([C@H]3CC(=O)N(c4cccc(O)c4)C3=O)CC2)cc1 ZINC000611245901 521055962 /nfs/dbraw/zinc/05/59/62/521055962.db2.gz YMCXNFNUUVBYJZ-FQEVSTJZSA-N 1 2 373.412 2.685 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+]([C@H]3CC(=O)N(c4cccc(O)c4)C3=O)CC2)cc1 ZINC000611245901 521055967 /nfs/dbraw/zinc/05/59/67/521055967.db2.gz YMCXNFNUUVBYJZ-FQEVSTJZSA-N 1 2 373.412 2.685 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+]([C@@H]3CC(=O)N(c4ccccc4)C3=O)CC2)cc1 ZINC000611245872 521056823 /nfs/dbraw/zinc/05/68/23/521056823.db2.gz AULSVPGTUCGQOK-HXUWFJFHSA-N 1 2 357.413 2.979 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+]([C@@H]3CC(=O)N(c4ccccc4)C3=O)CC2)cc1 ZINC000611245872 521056831 /nfs/dbraw/zinc/05/68/31/521056831.db2.gz AULSVPGTUCGQOK-HXUWFJFHSA-N 1 2 357.413 2.979 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(c3cccnc3)CC2)c1 ZINC000611258339 521062228 /nfs/dbraw/zinc/06/22/28/521062228.db2.gz HUXOGWCGEZJGRU-UHFFFAOYSA-N 1 2 355.463 2.607 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000611273409 521072786 /nfs/dbraw/zinc/07/27/86/521072786.db2.gz SCEBCONMBQWUEM-SFHVURJKSA-N 1 2 360.454 2.912 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000611273409 521072791 /nfs/dbraw/zinc/07/27/91/521072791.db2.gz SCEBCONMBQWUEM-SFHVURJKSA-N 1 2 360.454 2.912 20 30 FFEDLO CC(C)(C)c1ccc(C#N)c(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)n1 ZINC000599184911 521077424 /nfs/dbraw/zinc/07/74/24/521077424.db2.gz MNGOWQIRKDEFNS-SFHVURJKSA-N 1 2 365.481 2.959 20 30 FFEDLO CC(C)(C)c1ccc(C#N)c(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)n1 ZINC000599184911 521077433 /nfs/dbraw/zinc/07/74/33/521077433.db2.gz MNGOWQIRKDEFNS-SFHVURJKSA-N 1 2 365.481 2.959 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000599263314 521116889 /nfs/dbraw/zinc/11/68/89/521116889.db2.gz DYRRXKPFPKFDOK-QZTJIDSGSA-N 1 2 364.873 2.785 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000599263314 521116900 /nfs/dbraw/zinc/11/69/00/521116900.db2.gz DYRRXKPFPKFDOK-QZTJIDSGSA-N 1 2 364.873 2.785 20 30 FFEDLO CC(C)C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000599266071 521119276 /nfs/dbraw/zinc/11/92/76/521119276.db2.gz MVVJGOXWDDVFTM-KRWDZBQOSA-N 1 2 358.486 2.832 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCOc2ccccc2Br)CC1 ZINC000611432004 521152986 /nfs/dbraw/zinc/15/29/86/521152986.db2.gz JVLKSIAHNLSHBI-MRXNPFEDSA-N 1 2 366.303 2.994 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)c(C#N)c1C ZINC000596597599 521155893 /nfs/dbraw/zinc/15/58/93/521155893.db2.gz CTOIPQHDXHPXNS-ZDUSSCGKSA-N 1 2 369.469 2.913 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2Cc3cnn(C)c3CC(C)(C)C2)c(C#N)c1C ZINC000596597599 521155905 /nfs/dbraw/zinc/15/59/05/521155905.db2.gz CTOIPQHDXHPXNS-ZDUSSCGKSA-N 1 2 369.469 2.913 20 30 FFEDLO N#Cc1c(F)cc(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1F ZINC000602149889 521174956 /nfs/dbraw/zinc/17/49/56/521174956.db2.gz WZIVQQRMTDHTRC-CYBMUJFWSA-N 1 2 358.270 2.843 20 30 FFEDLO N#C[C@@H](CCc1ccccc1)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000602199755 521206654 /nfs/dbraw/zinc/20/66/54/521206654.db2.gz QYZSIDPITFCYHC-OAQYLSRUSA-N 1 2 362.477 2.541 20 30 FFEDLO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553318 521215375 /nfs/dbraw/zinc/21/53/75/521215375.db2.gz WREOCEWFCIQJDO-AHRSYUTCSA-N 1 2 372.488 2.703 20 30 FFEDLO CC(C)CN(C(=O)C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CC1 ZINC000611551654 521215546 /nfs/dbraw/zinc/21/55/46/521215546.db2.gz SBLYFBUIPOESHH-HXUWFJFHSA-N 1 2 372.488 2.655 20 30 FFEDLO CCOC(=O)[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C1CCCCCC1 ZINC000599454393 521237681 /nfs/dbraw/zinc/23/76/81/521237681.db2.gz MNIWVYXROVPOFX-ZWKOTPCHSA-N 1 2 366.502 2.549 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Br)cc1 ZINC000596729681 521249767 /nfs/dbraw/zinc/24/97/67/521249767.db2.gz IQJWQDPEZDYSMR-DOMZBBRYSA-N 1 2 359.227 2.589 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596733843 521252315 /nfs/dbraw/zinc/25/23/15/521252315.db2.gz LDDNWLFPINSTKY-JKSUJKDBSA-N 1 2 374.510 2.877 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596733842 521252656 /nfs/dbraw/zinc/25/26/56/521252656.db2.gz LDDNWLFPINSTKY-HZPDHXFCSA-N 1 2 374.510 2.877 20 30 FFEDLO CN(CCO)c1ccc(NCc2cccn2Cc2ccccc2C#N)[nH+]c1 ZINC000615133148 521285967 /nfs/dbraw/zinc/28/59/67/521285967.db2.gz OYFYKQZQIXFWPN-UHFFFAOYSA-N 1 2 361.449 2.844 20 30 FFEDLO CC1CCN(c2ccc(CNC(=O)CC3(C#N)CCOCC3)c[nH+]2)CC1 ZINC000596820274 521309025 /nfs/dbraw/zinc/30/90/25/521309025.db2.gz OQMZTNWXKRKUSJ-UHFFFAOYSA-N 1 2 356.470 2.645 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000593992784 521335576 /nfs/dbraw/zinc/33/55/76/521335576.db2.gz DZBMDEDGXBBEGV-HNNXBMFYSA-N 1 2 364.449 2.916 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2cccc(OC3CC3)c2F)CC1 ZINC000596982892 521423939 /nfs/dbraw/zinc/42/39/39/521423939.db2.gz MLBNGEVKQHFXTM-UHFFFAOYSA-N 1 2 352.413 2.956 20 30 FFEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000602626927 521443131 /nfs/dbraw/zinc/44/31/31/521443131.db2.gz BGKVLFAXSLHNTF-OAHLLOKOSA-N 1 2 357.433 2.654 20 30 FFEDLO Cc1cccn2c(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cnc12 ZINC000597079000 521486354 /nfs/dbraw/zinc/48/63/54/521486354.db2.gz HGHKMPXSVNFDPI-UHFFFAOYSA-N 1 2 374.448 2.864 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000615682309 521499188 /nfs/dbraw/zinc/49/91/88/521499188.db2.gz WPFUAPBPFJUFHU-JSGCOSHPSA-N 1 2 359.227 2.589 20 30 FFEDLO C[C@@]1(C#N)CCCN(CC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000612161422 521513303 /nfs/dbraw/zinc/51/33/03/521513303.db2.gz BPDKUAFLSWKENW-FQEVSTJZSA-N 1 2 374.916 2.610 20 30 FFEDLO C[C@]1(C#N)CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000612161964 521513373 /nfs/dbraw/zinc/51/33/73/521513373.db2.gz HKNMHUZVPFQTEW-MRXNPFEDSA-N 1 2 361.243 2.583 20 30 FFEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000612161964 521513379 /nfs/dbraw/zinc/51/33/79/521513379.db2.gz HKNMHUZVPFQTEW-MRXNPFEDSA-N 1 2 361.243 2.583 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(OC(F)(F)F)cc1 ZINC000615759723 521521596 /nfs/dbraw/zinc/52/15/96/521521596.db2.gz QRSBHTQTUSSGJY-OCCSQVGLSA-N 1 2 364.327 2.725 20 30 FFEDLO COc1cc(OC)c(OC)cc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000597182019 521560795 /nfs/dbraw/zinc/56/07/95/521560795.db2.gz QMHJWHUHKIVOJS-UHFFFAOYSA-N 1 2 373.478 2.968 20 30 FFEDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)c3cccc(CC#N)c3)CC2)c1 ZINC000619473682 521586198 /nfs/dbraw/zinc/58/61/98/521586198.db2.gz YDMSRMURRMSOAP-UHFFFAOYSA-N 1 2 369.490 2.568 20 30 FFEDLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000616135497 521628716 /nfs/dbraw/zinc/62/87/16/521628716.db2.gz UYVFZXLVAUBMMQ-HNNXBMFYSA-N 1 2 352.413 2.847 20 30 FFEDLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000616135497 521628720 /nfs/dbraw/zinc/62/87/20/521628720.db2.gz UYVFZXLVAUBMMQ-HNNXBMFYSA-N 1 2 352.413 2.847 20 30 FFEDLO COc1ccccc1C(=O)N1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000619674181 521821640 /nfs/dbraw/zinc/82/16/40/521821640.db2.gz DZJQUTMEOJXAMK-UHFFFAOYSA-N 1 2 365.433 2.533 20 30 FFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000619721996 521836693 /nfs/dbraw/zinc/83/66/93/521836693.db2.gz KLKRYAHCDRGMJH-HNNXBMFYSA-N 1 2 357.410 2.652 20 30 FFEDLO CCC(CC)[C@H](C(=O)NCc1ccc(C#N)c(Cl)c1)[NH+]1CCOCC1 ZINC000619781085 521868328 /nfs/dbraw/zinc/86/83/28/521868328.db2.gz SMCGYTVZKYDMEY-GOSISDBHSA-N 1 2 363.889 2.965 20 30 FFEDLO C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000636486315 523013216 /nfs/dbraw/zinc/01/32/16/523013216.db2.gz KUCGVZINJVNFQU-KRWDZBQOSA-N 1 2 368.481 2.734 20 30 FFEDLO C=CCOc1cccnc1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634303559 523318367 /nfs/dbraw/zinc/31/83/67/523318367.db2.gz YMADZDSYNSYRDA-UHFFFAOYSA-N 1 2 370.478 2.525 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)cc1OC ZINC000628241663 523435474 /nfs/dbraw/zinc/43/54/74/523435474.db2.gz DFVUAWLRPZMYQL-WFASDCNBSA-N 1 2 352.862 2.999 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)cc1OC ZINC000628241663 523435485 /nfs/dbraw/zinc/43/54/85/523435485.db2.gz DFVUAWLRPZMYQL-WFASDCNBSA-N 1 2 352.862 2.999 20 30 FFEDLO C=CC(C)(C)CCNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000625565986 523540624 /nfs/dbraw/zinc/54/06/24/523540624.db2.gz CSHZSTDZIHGJQA-HNNXBMFYSA-N 1 2 363.527 2.672 20 30 FFEDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000057548178 536699953 /nfs/dbraw/zinc/69/99/53/536699953.db2.gz IXXMDYOMQUUDNH-INIZCTEOSA-N 1 2 364.449 2.716 20 30 FFEDLO NC(=NOCCCCC(F)(F)F)c1cccc(C[NH+]2CCOCC2)c1 ZINC000154284271 728800876 /nfs/dbraw/zinc/80/08/76/728800876.db2.gz UQSJHNSYDGIYKW-UHFFFAOYSA-N 1 2 359.392 2.888 20 30 FFEDLO N#CCNC(=O)C[N@@H+](Cc1ccccc1Br)C1CCCC1 ZINC000135301446 728737331 /nfs/dbraw/zinc/73/73/31/728737331.db2.gz YKCQZMBAIJAJEV-UHFFFAOYSA-N 1 2 350.260 2.833 20 30 FFEDLO N#CCNC(=O)C[N@H+](Cc1ccccc1Br)C1CCCC1 ZINC000135301446 728737332 /nfs/dbraw/zinc/73/73/32/728737332.db2.gz YKCQZMBAIJAJEV-UHFFFAOYSA-N 1 2 350.260 2.833 20 30 FFEDLO C=CC[C@@H](CO)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000321049911 729751900 /nfs/dbraw/zinc/75/19/00/729751900.db2.gz VHYBADOQSBJWMF-VIFPVBQESA-N 1 2 365.065 2.944 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1OCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000329270913 729796947 /nfs/dbraw/zinc/79/69/47/729796947.db2.gz HSEMVJOEQLMHNE-RYRKJORJSA-N 1 2 356.532 2.746 20 30 FFEDLO CC1CC[NH+](Cc2csc(NC(=O)CN3CCC(=O)NC3=O)n2)CC1 ZINC000329515226 729797871 /nfs/dbraw/zinc/79/78/71/729797871.db2.gz YKMQTJOHKMDNKR-UHFFFAOYSA-N 1 2 365.459 2.745 20 30 FFEDLO CC(=NNCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1Br ZINC000857210768 730385398 /nfs/dbraw/zinc/38/53/98/730385398.db2.gz BTYRSYAKOWCVKQ-UHFFFAOYSA-N 1 2 366.219 2.958 20 30 FFEDLO C#CC[C@@H](CCOC)NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000859022324 730439709 /nfs/dbraw/zinc/43/97/09/730439709.db2.gz MQWOVIYSUOQZNO-INIZCTEOSA-N 1 2 363.527 2.566 20 30 FFEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000867680505 731212932 /nfs/dbraw/zinc/21/29/32/731212932.db2.gz OVDGLEXIFGRKSB-UHFFFAOYSA-N 1 2 359.451 2.716 20 30 FFEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000867680471 731212964 /nfs/dbraw/zinc/21/29/64/731212964.db2.gz NRTBLVABRYUZPF-UHFFFAOYSA-N 1 2 363.414 2.714 20 30 FFEDLO C=C(Cl)C[C@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)OCC ZINC000870035684 731465419 /nfs/dbraw/zinc/46/54/19/731465419.db2.gz LFCMTBKOCZYLDR-INIZCTEOSA-N 1 2 361.829 2.605 20 30 FFEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000870332513 731498214 /nfs/dbraw/zinc/49/82/14/731498214.db2.gz XRLOQAVLSNHETI-QWHCGFSZSA-N 1 2 364.845 2.609 20 30 FFEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000870332513 731498216 /nfs/dbraw/zinc/49/82/16/731498216.db2.gz XRLOQAVLSNHETI-QWHCGFSZSA-N 1 2 364.845 2.609 20 30 FFEDLO CSC1([C@H](C#N)N(C)C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)CC1 ZINC000876456557 732249892 /nfs/dbraw/zinc/24/98/92/732249892.db2.gz NYBIFVUXYNMRGH-HNNXBMFYSA-N 1 2 364.421 2.869 20 30 FFEDLO CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000879333468 732685473 /nfs/dbraw/zinc/68/54/73/732685473.db2.gz AAMSPODOYZATFY-HNNXBMFYSA-N 1 2 350.850 2.526 20 30 FFEDLO CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000879333468 732685475 /nfs/dbraw/zinc/68/54/75/732685475.db2.gz AAMSPODOYZATFY-HNNXBMFYSA-N 1 2 350.850 2.526 20 30 FFEDLO C=CC[C@H](C)Sc1nnc([C@@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000882031099 733158338 /nfs/dbraw/zinc/15/83/38/733158338.db2.gz UCKLPBHGQIURCF-JKSUJKDBSA-N 1 2 367.563 2.680 20 30 FFEDLO N#Cc1nc(NC(=O)NCCCCn2cc[nH+]c2)ccc1Br ZINC000883080583 733329301 /nfs/dbraw/zinc/32/93/01/733329301.db2.gz DSRJLOIVXSIYLC-UHFFFAOYSA-N 1 2 363.219 2.514 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000884167944 733489263 /nfs/dbraw/zinc/48/92/63/733489263.db2.gz SJMPDAAJWPZTLN-GOEBONIOSA-N 1 2 354.397 2.615 20 30 FFEDLO COC(=O)c1cc(CO[NH+]=C(N)c2ccc(Br)cc2)oc1C ZINC000782947947 738767021 /nfs/dbraw/zinc/76/70/21/738767021.db2.gz GTVTXKIPATXLGG-UHFFFAOYSA-N 1 2 367.199 2.974 20 30 FFEDLO CC(=O)N(c1nc(C[NH2+]Cc2ccc(OCC#N)cc2)cs1)C1CC1 ZINC000734508787 734901054 /nfs/dbraw/zinc/90/10/54/734901054.db2.gz DDDIQWQMMCAOJE-UHFFFAOYSA-N 1 2 356.451 2.851 20 30 FFEDLO N#Cc1cnc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c(Br)c1 ZINC000895564568 735024395 /nfs/dbraw/zinc/02/43/95/735024395.db2.gz KYNLUWSDQMJFAM-STQMWFEESA-N 1 2 353.289 2.707 20 30 FFEDLO N#Cc1cnc(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c(Br)c1 ZINC000895564568 735024399 /nfs/dbraw/zinc/02/43/99/735024399.db2.gz KYNLUWSDQMJFAM-STQMWFEESA-N 1 2 353.289 2.707 20 30 FFEDLO C#CCSCCNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000740050943 735066480 /nfs/dbraw/zinc/06/64/80/735066480.db2.gz HQKIPOOJOJZEML-AWEZNQCLSA-N 1 2 367.465 2.595 20 30 FFEDLO C#CCSCCNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000740050943 735066482 /nfs/dbraw/zinc/06/64/82/735066482.db2.gz HQKIPOOJOJZEML-AWEZNQCLSA-N 1 2 367.465 2.595 20 30 FFEDLO O=C1C=COC2(CC[NH+](Cc3cccc(Br)c3O)CC2)C1 ZINC000897602778 735253802 /nfs/dbraw/zinc/25/38/02/735253802.db2.gz VKJVFALEEKZYIG-UHFFFAOYSA-N 1 2 352.228 2.992 20 30 FFEDLO C/C(=C\C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)C[NH+]1CCOCC1 ZINC000900608381 735667825 /nfs/dbraw/zinc/66/78/25/735667825.db2.gz MZTGKMNXVVOTHN-RZXPCSSPSA-N 1 2 368.264 2.953 20 30 FFEDLO NC(=NOCCCCC(F)(F)F)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000752770538 736011041 /nfs/dbraw/zinc/01/10/41/736011041.db2.gz SUSCYMBNYYUCDP-UHFFFAOYSA-N 1 2 359.392 2.888 20 30 FFEDLO CCc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000903263332 736069128 /nfs/dbraw/zinc/06/91/28/736069128.db2.gz MBXXEXASIHRZOS-GOSISDBHSA-N 1 2 356.495 2.740 20 30 FFEDLO C=CCN(CC(=O)OCC)Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000753539476 736076370 /nfs/dbraw/zinc/07/63/70/736076370.db2.gz ZLBQWTGJRXDFCS-UHFFFAOYSA-N 1 2 366.259 2.956 20 30 FFEDLO C#CCN(CC#CC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000755101767 736232900 /nfs/dbraw/zinc/23/29/00/736232900.db2.gz XFXAJPKNOQKPGJ-MSOLQXFVSA-N 1 2 361.848 2.892 20 30 FFEDLO C#CCN(CC#CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000755101767 736232902 /nfs/dbraw/zinc/23/29/02/736232902.db2.gz XFXAJPKNOQKPGJ-MSOLQXFVSA-N 1 2 361.848 2.892 20 30 FFEDLO C#CCOCCC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000755511160 736258713 /nfs/dbraw/zinc/25/87/13/736258713.db2.gz PHNGMDSZWIMNQR-MRXNPFEDSA-N 1 2 352.837 2.772 20 30 FFEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000757659000 736416827 /nfs/dbraw/zinc/41/68/27/736416827.db2.gz WXGFJHJVUWSLMZ-SECBINFHSA-N 1 2 366.252 2.545 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](C[C@@H](O)c3ccc(Cl)c(F)c3)CC2)c1 ZINC000759844419 736598434 /nfs/dbraw/zinc/59/84/34/736598434.db2.gz MVVFMLJPYHXHPL-QGZVFWFLSA-N 1 2 360.820 2.601 20 30 FFEDLO CC[NH+](CC)Cc1csc(NC(=O)C#Cc2ccc3c(c2)OCO3)n1 ZINC000762053983 736788785 /nfs/dbraw/zinc/78/87/85/736788785.db2.gz WMEYBTYIXGYGMB-UHFFFAOYSA-N 1 2 357.435 2.704 20 30 FFEDLO CC(C)C[N@H+](CC(=O)NCCC#N)Cc1ccccc1Br ZINC000766190302 737204951 /nfs/dbraw/zinc/20/49/51/737204951.db2.gz DXYVTLQXGYFLMN-UHFFFAOYSA-N 1 2 352.276 2.937 20 30 FFEDLO CC(C)C[N@@H+](CC(=O)NCCC#N)Cc1ccccc1Br ZINC000766190302 737204954 /nfs/dbraw/zinc/20/49/54/737204954.db2.gz DXYVTLQXGYFLMN-UHFFFAOYSA-N 1 2 352.276 2.937 20 30 FFEDLO C#C[C@@H](C)[N@H+](C)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000769975935 737587454 /nfs/dbraw/zinc/58/74/54/737587454.db2.gz PBKPRYYUDGIARX-XLIONFOSSA-N 1 2 356.491 2.968 20 30 FFEDLO C#C[C@@H](C)[N@@H+](C)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000769975935 737587458 /nfs/dbraw/zinc/58/74/58/737587458.db2.gz PBKPRYYUDGIARX-XLIONFOSSA-N 1 2 356.491 2.968 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)Cc1csc(C#N)c1 ZINC000914983040 737600776 /nfs/dbraw/zinc/60/07/76/737600776.db2.gz IBBUFLYJAXQYNJ-UHFFFAOYSA-N 1 2 366.512 2.621 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@H+](C[C@@H](O)COCc3cccs3)CCO2)cc1 ZINC000933623433 739663301 /nfs/dbraw/zinc/66/33/01/739663301.db2.gz BMYRTGBQAOQZNI-MJGOQNOKSA-N 1 2 358.463 2.571 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@@H+](C[C@@H](O)COCc3cccs3)CCO2)cc1 ZINC000933623433 739663306 /nfs/dbraw/zinc/66/33/06/739663306.db2.gz BMYRTGBQAOQZNI-MJGOQNOKSA-N 1 2 358.463 2.571 20 30 FFEDLO COCCCC[N@@H+](Cc1ccccc1)Cn1nc(CC#N)n(C)c1=S ZINC000794623973 739911668 /nfs/dbraw/zinc/91/16/68/739911668.db2.gz QMYGZJLNMHYMOV-UHFFFAOYSA-N 1 2 359.499 2.903 20 30 FFEDLO COCCCC[N@H+](Cc1ccccc1)Cn1nc(CC#N)n(C)c1=S ZINC000794623973 739911671 /nfs/dbraw/zinc/91/16/71/739911671.db2.gz QMYGZJLNMHYMOV-UHFFFAOYSA-N 1 2 359.499 2.903 20 30 FFEDLO Cc1ccc(C#N)cc1OS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000799790610 740452177 /nfs/dbraw/zinc/45/21/77/740452177.db2.gz LAIVASLQGFABRW-UHFFFAOYSA-N 1 2 353.403 2.879 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncc(C)s1 ZINC000960648949 740621367 /nfs/dbraw/zinc/62/13/67/740621367.db2.gz VTTYGNQVJQEVOJ-BBWFWOEESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncc(C)s1 ZINC000960648949 740621369 /nfs/dbraw/zinc/62/13/69/740621369.db2.gz VTTYGNQVJQEVOJ-BBWFWOEESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc(C)cs1 ZINC000960647564 740621405 /nfs/dbraw/zinc/62/14/05/740621405.db2.gz QEHXRAZJKDXSIQ-ZACQAIPSSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc(C)cs1 ZINC000960647564 740621408 /nfs/dbraw/zinc/62/14/08/740621408.db2.gz QEHXRAZJKDXSIQ-ZACQAIPSSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc(C)cs1 ZINC000960925465 740628716 /nfs/dbraw/zinc/62/87/16/740628716.db2.gz CFPKAZRLUWJCHI-BQFCYCMXSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc(C)cs1 ZINC000960925465 740628720 /nfs/dbraw/zinc/62/87/20/740628720.db2.gz CFPKAZRLUWJCHI-BQFCYCMXSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000969042281 740729091 /nfs/dbraw/zinc/72/90/91/740729091.db2.gz MZIMNXKEQVYLPB-FPCVCCKLSA-N 1 2 371.319 2.823 20 30 FFEDLO C=C(Br)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000969042281 740729096 /nfs/dbraw/zinc/72/90/96/740729096.db2.gz MZIMNXKEQVYLPB-FPCVCCKLSA-N 1 2 371.319 2.823 20 30 FFEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)C2)C1 ZINC000972517248 740833367 /nfs/dbraw/zinc/83/33/67/740833367.db2.gz CXLTUQFUYXBNKX-HBUWYVDXSA-N 1 2 366.914 2.994 20 30 FFEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)C2)C1 ZINC000972517248 740833373 /nfs/dbraw/zinc/83/33/73/740833373.db2.gz CXLTUQFUYXBNKX-HBUWYVDXSA-N 1 2 366.914 2.994 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)sc2C)CC1(C)C ZINC000975065579 740921372 /nfs/dbraw/zinc/92/13/72/740921372.db2.gz PSXYFXAWVBVLSB-HYVNUMGLSA-N 1 2 363.527 2.678 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2nc(C)sc2C)CC1(C)C ZINC000975065579 740921376 /nfs/dbraw/zinc/92/13/76/740921376.db2.gz PSXYFXAWVBVLSB-HYVNUMGLSA-N 1 2 363.527 2.678 20 30 FFEDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000805827070 741015130 /nfs/dbraw/zinc/01/51/30/741015130.db2.gz FQOVYDSUPRNLQB-HNNXBMFYSA-N 1 2 351.834 2.953 20 30 FFEDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000805827070 741015134 /nfs/dbraw/zinc/01/51/34/741015134.db2.gz FQOVYDSUPRNLQB-HNNXBMFYSA-N 1 2 351.834 2.953 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cc(O)ccc2Cl)CC1 ZINC000981994875 741184164 /nfs/dbraw/zinc/18/41/64/741184164.db2.gz VHJIYOVZIYMJFA-AEFFLSMTSA-N 1 2 364.873 2.671 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2cc(O)ccc2Cl)CC1 ZINC000981994875 741184169 /nfs/dbraw/zinc/18/41/69/741184169.db2.gz VHJIYOVZIYMJFA-AEFFLSMTSA-N 1 2 364.873 2.671 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C)O3)CCC[C@@H]12 ZINC000992252943 741746709 /nfs/dbraw/zinc/74/67/09/741746709.db2.gz VNPRVFWHPAZFCY-IXYNUQLISA-N 1 2 357.292 2.576 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C)O3)CCC[C@@H]12 ZINC000992252943 741746712 /nfs/dbraw/zinc/74/67/12/741746712.db2.gz VNPRVFWHPAZFCY-IXYNUQLISA-N 1 2 357.292 2.576 20 30 FFEDLO N#C[C@H]1CC[C@H]([NH+]2CCC(O)(c3scnc3Br)CC2)C1 ZINC000815105108 741901889 /nfs/dbraw/zinc/90/18/89/741901889.db2.gz CUGDJAWOENVOBX-QWRGUYRKSA-N 1 2 356.289 2.881 20 30 FFEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC001003297992 742193703 /nfs/dbraw/zinc/19/37/03/742193703.db2.gz AALCYOUVDKTBPD-JKSUJKDBSA-N 1 2 371.319 2.538 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001007358894 742326851 /nfs/dbraw/zinc/32/68/51/742326851.db2.gz XQFHXUDPMWJMEC-WBAXXEDZSA-N 1 2 361.511 2.761 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001007358894 742326855 /nfs/dbraw/zinc/32/68/55/742326855.db2.gz XQFHXUDPMWJMEC-WBAXXEDZSA-N 1 2 361.511 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001008576356 742383559 /nfs/dbraw/zinc/38/35/59/742383559.db2.gz UYZXFJINXHCNPW-KYJSFNMBSA-N 1 2 364.873 2.717 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001008576356 742383564 /nfs/dbraw/zinc/38/35/64/742383564.db2.gz UYZXFJINXHCNPW-KYJSFNMBSA-N 1 2 364.873 2.717 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000819441230 742391178 /nfs/dbraw/zinc/39/11/78/742391178.db2.gz BOJBJJAGYIKJBL-CQSZACIVSA-N 1 2 361.833 2.541 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000819441230 742391182 /nfs/dbraw/zinc/39/11/82/742391182.db2.gz BOJBJJAGYIKJBL-CQSZACIVSA-N 1 2 361.833 2.541 20 30 FFEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1CC ZINC001024565540 742730272 /nfs/dbraw/zinc/73/02/72/742730272.db2.gz JBBKNGVNOWONSS-ZNMIVQPWSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1CC ZINC001024565540 742730275 /nfs/dbraw/zinc/73/02/75/742730275.db2.gz JBBKNGVNOWONSS-ZNMIVQPWSA-N 1 2 359.308 2.681 20 30 FFEDLO C#CCO[C@H](C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000822496002 742743578 /nfs/dbraw/zinc/74/35/78/742743578.db2.gz WVDYGQSTZGXVRI-CJNGLKHVSA-N 1 2 352.837 2.771 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC001027416032 742768383 /nfs/dbraw/zinc/76/83/83/742768383.db2.gz XPEJRINTUIIAFO-KSZLIROESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2csc(C)n2)C1 ZINC001027416032 742768389 /nfs/dbraw/zinc/76/83/89/742768389.db2.gz XPEJRINTUIIAFO-KSZLIROESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1csc(CC)n1 ZINC001027888714 742777044 /nfs/dbraw/zinc/77/70/44/742777044.db2.gz XYZIAJLJJALEJW-BBWFWOEESA-N 1 2 363.527 2.767 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1csc(CC)n1 ZINC001027888714 742777047 /nfs/dbraw/zinc/77/70/47/742777047.db2.gz XYZIAJLJJALEJW-BBWFWOEESA-N 1 2 363.527 2.767 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)C(F)(F)c2ccccc2Br)CC1 ZINC000822934910 742805340 /nfs/dbraw/zinc/80/53/40/742805340.db2.gz KTZBXWRTEFVOHK-UHFFFAOYSA-N 1 2 371.225 2.708 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(Cl)c(F)c2)C1 ZINC001031987388 742853375 /nfs/dbraw/zinc/85/33/75/742853375.db2.gz LFXCVBKKNVGYCX-PBHICJAKSA-N 1 2 352.837 2.618 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001033087041 742870374 /nfs/dbraw/zinc/87/03/74/742870374.db2.gz PIVWLQHXXBIIQC-ZACQAIPSSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001033087041 742870384 /nfs/dbraw/zinc/87/03/84/742870384.db2.gz PIVWLQHXXBIIQC-ZACQAIPSSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001033495844 742894213 /nfs/dbraw/zinc/89/42/13/742894213.db2.gz BNDKNJPIFNOEIA-RYRKJORJSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001033495844 742894224 /nfs/dbraw/zinc/89/42/24/742894224.db2.gz BNDKNJPIFNOEIA-RYRKJORJSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001033859698 742899592 /nfs/dbraw/zinc/89/95/92/742899592.db2.gz FNRCWOSCMHBXII-ILXRZTDVSA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001033859698 742899598 /nfs/dbraw/zinc/89/95/98/742899598.db2.gz FNRCWOSCMHBXII-ILXRZTDVSA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001034318493 742920500 /nfs/dbraw/zinc/92/05/00/742920500.db2.gz YFBJTSWXRJPMDA-ZNMIVQPWSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001034318493 742920504 /nfs/dbraw/zinc/92/05/04/742920504.db2.gz YFBJTSWXRJPMDA-ZNMIVQPWSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001034403476 742922945 /nfs/dbraw/zinc/92/29/45/742922945.db2.gz HOCWETAVFBOXNZ-YUELXQCFSA-N 1 2 369.918 2.858 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001034403476 742922951 /nfs/dbraw/zinc/92/29/51/742922951.db2.gz HOCWETAVFBOXNZ-YUELXQCFSA-N 1 2 369.918 2.858 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000827798212 744980330 /nfs/dbraw/zinc/98/03/30/744980330.db2.gz NMDWHLLIUFSBBB-DQYPLSBCSA-N 1 2 352.837 2.769 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000827798212 744980331 /nfs/dbraw/zinc/98/03/31/744980331.db2.gz NMDWHLLIUFSBBB-DQYPLSBCSA-N 1 2 352.837 2.769 20 30 FFEDLO C#CC[N@@H+](CC[S@](C)=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000827813091 744982716 /nfs/dbraw/zinc/98/27/16/744982716.db2.gz KJKGGBZYBXHKDQ-XOBRGWDASA-N 1 2 356.285 2.586 20 30 FFEDLO C#CC[N@H+](CC[S@](C)=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000827813091 744982721 /nfs/dbraw/zinc/98/27/21/744982721.db2.gz KJKGGBZYBXHKDQ-XOBRGWDASA-N 1 2 356.285 2.586 20 30 FFEDLO C#C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(Br)cc1 ZINC000844145094 747977978 /nfs/dbraw/zinc/97/79/78/747977978.db2.gz SDGIDUBBHIABBU-XJKSGUPXSA-N 1 2 358.239 2.699 20 30 FFEDLO COc1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)n2cc[nH+]c2)cc1Cl ZINC000845441909 748259680 /nfs/dbraw/zinc/25/96/80/748259680.db2.gz AJOFSXPRIQAFSB-YPMHNXCESA-N 1 2 360.801 2.844 20 30 FFEDLO CCOC(C[N@H+](CC)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)OCC ZINC000846975348 748588400 /nfs/dbraw/zinc/58/84/00/748588400.db2.gz PTQZZYDCQSZORQ-ZDUSSCGKSA-N 1 2 351.447 2.816 20 30 FFEDLO CCOC(C[N@@H+](CC)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)OCC ZINC000846975348 748588404 /nfs/dbraw/zinc/58/84/04/748588404.db2.gz PTQZZYDCQSZORQ-ZDUSSCGKSA-N 1 2 351.447 2.816 20 30 FFEDLO C#CCC[N@@H+](CCOC)Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000852751659 749944114 /nfs/dbraw/zinc/94/41/14/749944114.db2.gz CRZWZNPZXGOGBS-UHFFFAOYSA-N 1 2 353.344 2.826 20 30 FFEDLO C#CCC[N@H+](CCOC)Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000852751659 749944122 /nfs/dbraw/zinc/94/41/22/749944122.db2.gz CRZWZNPZXGOGBS-UHFFFAOYSA-N 1 2 353.344 2.826 20 30 FFEDLO C#CCC[N@@H+](CCOC)Cc1cc2c(cc1Br)OCCO2 ZINC000852753044 749944519 /nfs/dbraw/zinc/94/45/19/749944519.db2.gz USWXFIRABKPTOL-UHFFFAOYSA-N 1 2 354.244 2.692 20 30 FFEDLO C#CCC[N@H+](CCOC)Cc1cc2c(cc1Br)OCCO2 ZINC000852753044 749944527 /nfs/dbraw/zinc/94/45/27/749944527.db2.gz USWXFIRABKPTOL-UHFFFAOYSA-N 1 2 354.244 2.692 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ccco3)[C@@H]2C1 ZINC001075543211 970770800 /nfs/dbraw/zinc/77/08/00/970770800.db2.gz WGGASWDLGFHPSE-DZGCQCFKSA-N 1 2 353.260 2.654 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3ccco3)[C@@H]2C1 ZINC001075543211 970770811 /nfs/dbraw/zinc/77/08/11/970770811.db2.gz WGGASWDLGFHPSE-DZGCQCFKSA-N 1 2 353.260 2.654 20 30 FFEDLO C=C(C)[C@@H]1CC=C(C[NH+]2CC3(C2)CN(CC(C)(C)OC)C(=O)CO3)CC1 ZINC001275856707 1013101833 /nfs/dbraw/zinc/10/18/33/1013101833.db2.gz IXBLBJBHXHFHDZ-GOSISDBHSA-N 1 2 362.514 2.627 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C4CC4)no3)CC[C@@H]2C1 ZINC001088064621 972066953 /nfs/dbraw/zinc/06/69/53/972066953.db2.gz NESGFSKQRXZUSA-CVEARBPZSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C4CC4)no3)CC[C@@H]2C1 ZINC001088064621 972066959 /nfs/dbraw/zinc/06/69/59/972066959.db2.gz NESGFSKQRXZUSA-CVEARBPZSA-N 1 2 358.486 2.830 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nn(C)cc3Cl)CC[C@@H]2C1 ZINC001088067325 972070806 /nfs/dbraw/zinc/07/08/06/972070806.db2.gz ZTPXBHSALUTXKI-KGLIPLIRSA-N 1 2 350.894 2.566 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nn(C)cc3Cl)CC[C@@H]2C1 ZINC001088067325 972070818 /nfs/dbraw/zinc/07/08/18/972070818.db2.gz ZTPXBHSALUTXKI-KGLIPLIRSA-N 1 2 350.894 2.566 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(F)cccc1F ZINC001111482717 972122222 /nfs/dbraw/zinc/12/22/22/972122222.db2.gz SFDLAWMJSDRTKY-XWIAVFTESA-N 1 2 350.409 2.779 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(F)cccc1F ZINC001111482717 972122225 /nfs/dbraw/zinc/12/22/25/972122225.db2.gz SFDLAWMJSDRTKY-XWIAVFTESA-N 1 2 350.409 2.779 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CCCCO2)C3)c1 ZINC001095300222 1013210122 /nfs/dbraw/zinc/21/01/22/1013210122.db2.gz DMBQKNFUQQKVSB-JYBIWHBTSA-N 1 2 371.456 2.878 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CCCCO2)C3)c1 ZINC001095300222 1013210128 /nfs/dbraw/zinc/21/01/28/1013210128.db2.gz DMBQKNFUQQKVSB-JYBIWHBTSA-N 1 2 371.456 2.878 20 30 FFEDLO N#Cc1ccc(Nc2cnn(CC[NH+]3CCOCC3)c2)c(C(F)(F)F)c1 ZINC001174491956 1013221874 /nfs/dbraw/zinc/22/18/74/1013221874.db2.gz YJGAUMWXHXFSON-UHFFFAOYSA-N 1 2 365.359 2.849 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3F)C2)OCC1=O ZINC001275993012 1013262486 /nfs/dbraw/zinc/26/24/86/1013262486.db2.gz HCNHXNVYLYNJRD-SFHVURJKSA-N 1 2 352.837 2.859 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3ccc(Cl)cc3F)C2)OCC1=O ZINC001275993012 1013262492 /nfs/dbraw/zinc/26/24/92/1013262492.db2.gz HCNHXNVYLYNJRD-SFHVURJKSA-N 1 2 352.837 2.859 20 30 FFEDLO C#CCN1CCC2(CC[NH+](Cc3sc(Cl)nc3Cl)CC2)C1=O ZINC001276029032 1013294592 /nfs/dbraw/zinc/29/45/92/1013294592.db2.gz RSOXNSXOWJEVTG-UHFFFAOYSA-N 1 2 358.294 2.898 20 30 FFEDLO N#Cc1ncc(Br)cc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174973373 1013343069 /nfs/dbraw/zinc/34/30/69/1013343069.db2.gz VGEHFZAJBBOVGU-UHFFFAOYSA-N 1 2 360.215 2.691 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001066789375 1013403529 /nfs/dbraw/zinc/40/35/29/1013403529.db2.gz UUXQBGOZBCFRHN-KSZLIROESA-N 1 2 370.497 2.729 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110183602 1013420505 /nfs/dbraw/zinc/42/05/05/1013420505.db2.gz ZFNKFTIRMVYGMC-OLQIXAPSSA-N 1 2 357.429 2.510 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110183602 1013420509 /nfs/dbraw/zinc/42/05/09/1013420509.db2.gz ZFNKFTIRMVYGMC-OLQIXAPSSA-N 1 2 357.429 2.510 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncc(CC)o1 ZINC000960649572 1013441302 /nfs/dbraw/zinc/44/13/02/1013441302.db2.gz YDBLGHDOYKTALW-JQHSSLGASA-N 1 2 361.486 2.641 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncc(CC)o1 ZINC000960649572 1013441311 /nfs/dbraw/zinc/44/13/11/1013441311.db2.gz YDBLGHDOYKTALW-JQHSSLGASA-N 1 2 361.486 2.641 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@@H+](Cc3c(C)n(C)c4ccccc43)C[C@@]2(F)C1=O ZINC001276095719 1013461013 /nfs/dbraw/zinc/46/10/13/1013461013.db2.gz DJEKKZLKCPKXJH-VQTJNVASSA-N 1 2 359.420 2.747 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@H+](Cc3c(C)n(C)c4ccccc43)C[C@@]2(F)C1=O ZINC001276095719 1013461019 /nfs/dbraw/zinc/46/10/19/1013461019.db2.gz DJEKKZLKCPKXJH-VQTJNVASSA-N 1 2 359.420 2.747 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933397376 964317998 /nfs/dbraw/zinc/31/79/98/964317998.db2.gz CIMNIBJADNXLCR-OAHLLOKOSA-N 1 2 368.437 2.563 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933397376 964318001 /nfs/dbraw/zinc/31/80/01/964318001.db2.gz CIMNIBJADNXLCR-OAHLLOKOSA-N 1 2 368.437 2.563 20 30 FFEDLO O=C(C1=CCOCC1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075721383 964555177 /nfs/dbraw/zinc/55/51/77/964555177.db2.gz VGHOWBYKPNGAJM-AZUAARDMSA-N 1 2 370.880 2.571 20 30 FFEDLO O=C(C1=CCOCC1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075721383 964555189 /nfs/dbraw/zinc/55/51/89/964555189.db2.gz VGHOWBYKPNGAJM-AZUAARDMSA-N 1 2 370.880 2.571 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)CC)CCCCC1 ZINC001111483568 964959620 /nfs/dbraw/zinc/95/96/20/964959620.db2.gz IMGLGXGGMDRENI-MANSERQUSA-N 1 2 373.541 2.596 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)CC)CCCCC1 ZINC001111483568 964959625 /nfs/dbraw/zinc/95/96/25/964959625.db2.gz IMGLGXGGMDRENI-MANSERQUSA-N 1 2 373.541 2.596 20 30 FFEDLO COc1cccc([C@H](C#N)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1OC ZINC000729429415 964975076 /nfs/dbraw/zinc/97/50/76/964975076.db2.gz LAKGBQONKAAOQF-KRWDZBQOSA-N 1 2 362.389 2.884 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ocnc2CC)C1 ZINC001087467776 965137470 /nfs/dbraw/zinc/13/74/70/965137470.db2.gz PDQWVAUYLYWTAZ-SJLPKXTDSA-N 1 2 355.413 2.597 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ocnc2CC)C1 ZINC001087467776 965137478 /nfs/dbraw/zinc/13/74/78/965137478.db2.gz PDQWVAUYLYWTAZ-SJLPKXTDSA-N 1 2 355.413 2.597 20 30 FFEDLO COc1cccc([C@H](C#N)NC(=O)Cc2cn3cccc(C)c3[nH+]2)c1OC ZINC000729435657 965307100 /nfs/dbraw/zinc/30/71/00/965307100.db2.gz YGPRVJRSGMZUQT-INIZCTEOSA-N 1 2 364.405 2.584 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2oncc2C)C1 ZINC001087471696 965389457 /nfs/dbraw/zinc/38/94/57/965389457.db2.gz QNIMHTMEYLQZPJ-OALUTQOASA-N 1 2 367.449 2.603 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2oncc2C)C1 ZINC001087471696 965389467 /nfs/dbraw/zinc/38/94/67/965389467.db2.gz QNIMHTMEYLQZPJ-OALUTQOASA-N 1 2 367.449 2.603 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)c2occc2C)C1 ZINC001087477245 965688853 /nfs/dbraw/zinc/68/88/53/965688853.db2.gz DOWDBANADSKJGU-WMZOPIPTSA-N 1 2 370.424 2.957 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)c2occc2C)C1 ZINC001087477245 965688857 /nfs/dbraw/zinc/68/88/57/965688857.db2.gz DOWDBANADSKJGU-WMZOPIPTSA-N 1 2 370.424 2.957 20 30 FFEDLO CC(C)Cc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cn1 ZINC000892223929 966326344 /nfs/dbraw/zinc/32/63/44/966326344.db2.gz NSZDQYRUSDVXHO-INIZCTEOSA-N 1 2 350.470 2.652 20 30 FFEDLO CC(C)Cc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cn1 ZINC000892223929 966326356 /nfs/dbraw/zinc/32/63/56/966326356.db2.gz NSZDQYRUSDVXHO-INIZCTEOSA-N 1 2 350.470 2.652 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)nn1 ZINC000657474757 966647733 /nfs/dbraw/zinc/64/77/33/966647733.db2.gz QTRTYKSNQFLEJC-KXBFYZLASA-N 1 2 371.460 2.835 20 30 FFEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3C[C@H]3c3ccc(OC)cc3)C2)C1 ZINC000972420210 967047559 /nfs/dbraw/zinc/04/75/59/967047559.db2.gz PTQAJILSIFMJEE-VCOUNFBDSA-N 1 2 370.493 2.678 20 30 FFEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3C[C@H]3c3ccc(OC)cc3)C2)C1 ZINC000972420210 967047571 /nfs/dbraw/zinc/04/75/71/967047571.db2.gz PTQAJILSIFMJEE-VCOUNFBDSA-N 1 2 370.493 2.678 20 30 FFEDLO CC1(C)C[N@@H+](C2CN(Cc3cc(C#N)ccc3Br)C2)CCO1 ZINC001141661075 967658204 /nfs/dbraw/zinc/65/82/04/967658204.db2.gz XFSXSWAZQQUURI-UHFFFAOYSA-N 1 2 364.287 2.616 20 30 FFEDLO CC1(C)C[N@H+](C2CN(Cc3cc(C#N)ccc3Br)C2)CCO1 ZINC001141661075 967658209 /nfs/dbraw/zinc/65/82/09/967658209.db2.gz XFSXSWAZQQUURI-UHFFFAOYSA-N 1 2 364.287 2.616 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccncc2F)[C@H]1CC ZINC001087527874 967716934 /nfs/dbraw/zinc/71/69/34/967716934.db2.gz GDFKTXQBMMUYPM-UONOGXRCSA-N 1 2 356.239 2.712 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccncc2F)[C@H]1CC ZINC001087527874 967716937 /nfs/dbraw/zinc/71/69/37/967716937.db2.gz GDFKTXQBMMUYPM-UONOGXRCSA-N 1 2 356.239 2.712 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001111482344 967807968 /nfs/dbraw/zinc/80/79/68/967807968.db2.gz FRGTZPQBFMQMJF-QRQLOZEOSA-N 1 2 357.429 2.512 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001111482344 967807977 /nfs/dbraw/zinc/80/79/77/967807977.db2.gz FRGTZPQBFMQMJF-QRQLOZEOSA-N 1 2 357.429 2.512 20 30 FFEDLO C=CCCCCCCCCC(=O)N1C[C@@H](C(N)=O)[C@H](c2cn(C)c[nH+]2)C1 ZINC001270994882 967926896 /nfs/dbraw/zinc/92/68/96/967926896.db2.gz XJWIKOGWCWPJIH-IAGOWNOFSA-N 1 2 360.502 2.754 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn(C3CCOCC3)n2)[C@H]1CC ZINC001087571788 968205391 /nfs/dbraw/zinc/20/53/91/968205391.db2.gz MHRVZGPETCOLJF-DOTOQJQBSA-N 1 2 366.893 2.570 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C3CCOCC3)n2)[C@H]1CC ZINC001087571788 968205398 /nfs/dbraw/zinc/20/53/98/968205398.db2.gz MHRVZGPETCOLJF-DOTOQJQBSA-N 1 2 366.893 2.570 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccc(OC)nc2)[C@H]1CC ZINC001087649110 968492845 /nfs/dbraw/zinc/49/28/45/968492845.db2.gz VUDHMQIGGUSTHT-UONOGXRCSA-N 1 2 368.275 2.582 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccc(OC)nc2)[C@H]1CC ZINC001087649110 968492850 /nfs/dbraw/zinc/49/28/50/968492850.db2.gz VUDHMQIGGUSTHT-UONOGXRCSA-N 1 2 368.275 2.582 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cnco2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087677851 968586205 /nfs/dbraw/zinc/58/62/05/968586205.db2.gz KNUANIDJEBYZBZ-DLBZAZTESA-N 1 2 357.841 2.962 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cnco2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087677851 968586213 /nfs/dbraw/zinc/58/62/13/968586213.db2.gz KNUANIDJEBYZBZ-DLBZAZTESA-N 1 2 357.841 2.962 20 30 FFEDLO C=CCCC1(CNC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCCC1 ZINC000658523663 968797248 /nfs/dbraw/zinc/79/72/48/968797248.db2.gz YTBFQLJASQELPC-UHFFFAOYSA-N 1 2 358.486 2.759 20 30 FFEDLO Cc1cc(C)c(CNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c[nH+]1 ZINC000895255531 968797854 /nfs/dbraw/zinc/79/78/54/968797854.db2.gz ZMABGLAWPXYKNY-IBGZPJMESA-N 1 2 350.422 2.853 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4c(s3)CCCCC4)[C@H]2C1 ZINC001083266344 968874074 /nfs/dbraw/zinc/87/40/74/968874074.db2.gz SRFZCSYYCNSPOQ-DLBZAZTESA-N 1 2 358.507 2.566 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4c(s3)CCCCC4)[C@H]2C1 ZINC001083266344 968874080 /nfs/dbraw/zinc/87/40/80/968874080.db2.gz SRFZCSYYCNSPOQ-DLBZAZTESA-N 1 2 358.507 2.566 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ncccn2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087770404 968979339 /nfs/dbraw/zinc/97/93/39/968979339.db2.gz CDEZRDAAUMCLTM-ZWKOTPCHSA-N 1 2 368.868 2.764 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ncccn2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087770404 968979350 /nfs/dbraw/zinc/97/93/50/968979350.db2.gz CDEZRDAAUMCLTM-ZWKOTPCHSA-N 1 2 368.868 2.764 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2nccs2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001087772071 969012502 /nfs/dbraw/zinc/01/25/02/969012502.db2.gz OQWPXDCCVVXACG-JKSUJKDBSA-N 1 2 358.442 2.937 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2nccs2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001087772071 969012510 /nfs/dbraw/zinc/01/25/10/969012510.db2.gz OQWPXDCCVVXACG-JKSUJKDBSA-N 1 2 358.442 2.937 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](Cc2nocc2C)[C@@H]1CC ZINC001087790210 969077384 /nfs/dbraw/zinc/07/73/84/969077384.db2.gz ZSDFILHZWUCEJZ-DOTOQJQBSA-N 1 2 370.453 2.726 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](Cc2nocc2C)[C@@H]1CC ZINC001087790210 969077391 /nfs/dbraw/zinc/07/73/91/969077391.db2.gz ZSDFILHZWUCEJZ-DOTOQJQBSA-N 1 2 370.453 2.726 20 30 FFEDLO NC(=[NH+]OCC(=O)NCC1CCC1)c1ccc(OCc2ccccc2)cc1 ZINC000066468610 969404015 /nfs/dbraw/zinc/40/40/15/969404015.db2.gz PPACYEKUVPCODB-UHFFFAOYSA-N 1 2 367.449 2.819 20 30 FFEDLO O=C(C1CCC=CCC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083278447 969672222 /nfs/dbraw/zinc/67/22/22/969672222.db2.gz XWWYILXZWKHLEK-FCHUYYIVSA-N 1 2 364.489 2.696 20 30 FFEDLO O=C(C1CCC=CCC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083278447 969672225 /nfs/dbraw/zinc/67/22/25/969672225.db2.gz XWWYILXZWKHLEK-FCHUYYIVSA-N 1 2 364.489 2.696 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2nccs2)[C@@H]1CC ZINC001087810771 970322937 /nfs/dbraw/zinc/32/29/37/970322937.db2.gz LFOLXHDMEKRISN-ZWKOTPCHSA-N 1 2 353.491 2.836 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2nccs2)[C@@H]1CC ZINC001087810771 970322948 /nfs/dbraw/zinc/32/29/48/970322948.db2.gz LFOLXHDMEKRISN-ZWKOTPCHSA-N 1 2 353.491 2.836 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccn(C)n2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087828018 970451684 /nfs/dbraw/zinc/45/16/84/970451684.db2.gz WIKNZDIDPQIOCL-PKOBYXMFSA-N 1 2 370.884 2.708 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccn(C)n2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087828018 970451692 /nfs/dbraw/zinc/45/16/92/970451692.db2.gz WIKNZDIDPQIOCL-PKOBYXMFSA-N 1 2 370.884 2.708 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001267682419 970525920 /nfs/dbraw/zinc/52/59/20/970525920.db2.gz WIOFRNZHGOTZOI-ZWKOTPCHSA-N 1 2 363.546 2.531 20 30 FFEDLO Cc1cc(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc[nH+]1 ZINC000895526742 970700699 /nfs/dbraw/zinc/70/06/99/970700699.db2.gz RCAISNNLWJHHLX-CHWWFWEZSA-N 1 2 370.453 2.537 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3CCC)CC[C@@H]2C1 ZINC001088093540 972730420 /nfs/dbraw/zinc/73/04/20/972730420.db2.gz ZVYUJGFBVOIXDK-UWVAXJGDSA-N 1 2 359.518 2.571 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3CCC)CC[C@@H]2C1 ZINC001088093540 972730427 /nfs/dbraw/zinc/73/04/27/972730427.db2.gz ZVYUJGFBVOIXDK-UWVAXJGDSA-N 1 2 359.518 2.571 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nn(C)cc3Cl)CC[C@@H]2C1 ZINC001088093344 972731372 /nfs/dbraw/zinc/73/13/72/972731372.db2.gz SXJQFENUESFPHB-VCBZYWHSSA-N 1 2 364.921 2.956 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3nn(C)cc3Cl)CC[C@@H]2C1 ZINC001088093344 972731377 /nfs/dbraw/zinc/73/13/77/972731377.db2.gz SXJQFENUESFPHB-VCBZYWHSSA-N 1 2 364.921 2.956 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088213410 973684405 /nfs/dbraw/zinc/68/44/05/973684405.db2.gz ZSLPDRWATYLNMT-QYZOEREBSA-N 1 2 361.917 2.822 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)N(C)C)C[C@@H]2C1 ZINC001088213410 973684410 /nfs/dbraw/zinc/68/44/10/973684410.db2.gz ZSLPDRWATYLNMT-QYZOEREBSA-N 1 2 361.917 2.822 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(F)cc2)cc1C#N ZINC001271571868 973893908 /nfs/dbraw/zinc/89/39/08/973893908.db2.gz MCWREAXYGNQKCU-HDICACEKSA-N 1 2 352.413 2.525 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(F)cc2)cc1C#N ZINC001271571868 973893914 /nfs/dbraw/zinc/89/39/14/973893914.db2.gz MCWREAXYGNQKCU-HDICACEKSA-N 1 2 352.413 2.525 20 30 FFEDLO CSc1ccc(C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)cc1 ZINC001271619710 973929959 /nfs/dbraw/zinc/92/99/59/973929959.db2.gz KLBSWUBQBFXJPF-UHFFFAOYSA-N 1 2 366.490 2.577 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000976888912 974494875 /nfs/dbraw/zinc/49/48/75/974494875.db2.gz WXROZVRGYNIMJR-BRSBDYLESA-N 1 2 370.497 2.803 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000976888912 974494879 /nfs/dbraw/zinc/49/48/79/974494879.db2.gz WXROZVRGYNIMJR-BRSBDYLESA-N 1 2 370.497 2.803 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1cc(C)no1)c1ccccc1 ZINC001481370456 974498208 /nfs/dbraw/zinc/49/82/08/974498208.db2.gz FLSGSPVFTXTNMD-QRVBRYPASA-N 1 2 355.438 2.521 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1cnc(C)o1)c1ccccc1 ZINC001481373523 974531267 /nfs/dbraw/zinc/53/12/67/974531267.db2.gz SQCHKFSGKPUMKD-UFYCRDLUSA-N 1 2 369.465 2.911 20 30 FFEDLO CC[C@H](CC#N)[NH2+]Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000893606133 975896319 /nfs/dbraw/zinc/89/63/19/975896319.db2.gz NCHRKQPGWUASJN-CABCVRRESA-N 1 2 362.478 2.632 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cccc3n[nH]cc32)[C@H]1C ZINC001088785115 976199391 /nfs/dbraw/zinc/19/93/91/976199391.db2.gz MBMSKYZPVOIJBL-RISCZKNCSA-N 1 2 363.259 2.664 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cccc3n[nH]cc32)[C@H]1C ZINC001088785115 976199393 /nfs/dbraw/zinc/19/93/93/976199393.db2.gz MBMSKYZPVOIJBL-RISCZKNCSA-N 1 2 363.259 2.664 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000981180250 976312047 /nfs/dbraw/zinc/31/20/47/976312047.db2.gz JSXDHXWERGHKFF-PMACEKPBSA-N 1 2 355.482 2.654 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000981180250 976312059 /nfs/dbraw/zinc/31/20/59/976312059.db2.gz JSXDHXWERGHKFF-PMACEKPBSA-N 1 2 355.482 2.654 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)cs1 ZINC001088814710 976826567 /nfs/dbraw/zinc/82/65/67/976826567.db2.gz GGBYCORWEFGNHX-BZNIZROVSA-N 1 2 358.442 2.855 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)cs1 ZINC001088814710 976826575 /nfs/dbraw/zinc/82/65/75/976826575.db2.gz GGBYCORWEFGNHX-BZNIZROVSA-N 1 2 358.442 2.855 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cscn4)[C@@H]3C2)c1 ZINC001075602504 976952214 /nfs/dbraw/zinc/95/22/14/976952214.db2.gz AJCFQEPRKCVGBG-SUMWQHHRSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCN(C(=O)c4cscn4)[C@@H]3C2)c1 ZINC001075602504 976952225 /nfs/dbraw/zinc/95/22/25/976952225.db2.gz AJCFQEPRKCVGBG-SUMWQHHRSA-N 1 2 356.426 2.500 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3cscc3Br)C[C@H]21 ZINC001075616238 977318777 /nfs/dbraw/zinc/31/87/77/977318777.db2.gz MYCDGWMZZQFOSL-COPLHBTASA-N 1 2 368.300 2.703 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3cscc3Br)C[C@H]21 ZINC001075616238 977318786 /nfs/dbraw/zinc/31/87/86/977318786.db2.gz MYCDGWMZZQFOSL-COPLHBTASA-N 1 2 368.300 2.703 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3csc(-c4ccco4)n3)C[C@H]21 ZINC001075616313 977321943 /nfs/dbraw/zinc/32/19/43/977321943.db2.gz OOXHTXKESKKZFI-VNHYZAJKSA-N 1 2 356.451 2.595 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3csc(-c4ccco4)n3)C[C@H]21 ZINC001075616313 977321948 /nfs/dbraw/zinc/32/19/48/977321948.db2.gz OOXHTXKESKKZFI-VNHYZAJKSA-N 1 2 356.451 2.595 20 30 FFEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCO[C@@](C)(C#N)C2)c(C)c1 ZINC000893788454 977553657 /nfs/dbraw/zinc/55/36/57/977553657.db2.gz MTGNMSKZARTBLB-QUCCMNQESA-N 1 2 367.453 2.565 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ncccc2C)C1 ZINC001087453762 977755817 /nfs/dbraw/zinc/75/58/17/977755817.db2.gz JSTDBMXNAKIPIT-RTBURBONSA-N 1 2 351.425 2.750 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ncccc2C)C1 ZINC001087453762 977755824 /nfs/dbraw/zinc/75/58/24/977755824.db2.gz JSTDBMXNAKIPIT-RTBURBONSA-N 1 2 351.425 2.750 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC001087458517 977929959 /nfs/dbraw/zinc/92/99/59/977929959.db2.gz GEJBSLSTOWETBN-UYAOXDASSA-N 1 2 368.456 2.824 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC001087458517 977929964 /nfs/dbraw/zinc/92/99/64/977929964.db2.gz GEJBSLSTOWETBN-UYAOXDASSA-N 1 2 368.456 2.824 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(F)c[nH]3)[C@@H]2C1 ZINC001076056106 979073406 /nfs/dbraw/zinc/07/34/06/979073406.db2.gz BZKRMZVFFOFJAK-SCLBCKFNSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(F)c[nH]3)[C@@H]2C1 ZINC001076056106 979073412 /nfs/dbraw/zinc/07/34/12/979073412.db2.gz BZKRMZVFFOFJAK-SCLBCKFNSA-N 1 2 356.376 2.511 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)C3CCC(OC)CC3)[C@@H]2C1 ZINC001076190552 979193573 /nfs/dbraw/zinc/19/35/73/979193573.db2.gz KROBXFWBBNWEKJ-BHDPWAOGSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CCC(OC)CC3)[C@@H]2C1 ZINC001076190552 979193575 /nfs/dbraw/zinc/19/35/75/979193575.db2.gz KROBXFWBBNWEKJ-BHDPWAOGSA-N 1 2 371.319 2.633 20 30 FFEDLO CC(C)c1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)n[nH]1 ZINC001076272155 979302689 /nfs/dbraw/zinc/30/26/89/979302689.db2.gz SMVNSMJMLWHJFH-FXAWDEMLSA-N 1 2 363.465 2.751 20 30 FFEDLO CC(C)c1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)n[nH]1 ZINC001076272155 979302702 /nfs/dbraw/zinc/30/27/02/979302702.db2.gz SMVNSMJMLWHJFH-FXAWDEMLSA-N 1 2 363.465 2.751 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccccc3OC)[C@@H]2C1 ZINC001076485582 979568105 /nfs/dbraw/zinc/56/81/05/979568105.db2.gz KPEWJEMOJPKHQZ-DZGCQCFKSA-N 1 2 365.271 2.750 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccccc3OC)[C@@H]2C1 ZINC001076485582 979568112 /nfs/dbraw/zinc/56/81/12/979568112.db2.gz KPEWJEMOJPKHQZ-DZGCQCFKSA-N 1 2 365.271 2.750 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)[C@@H]2C1 ZINC001076549185 979649009 /nfs/dbraw/zinc/64/90/09/979649009.db2.gz YELMTYUMOPYECO-JKIFEVAISA-N 1 2 352.837 2.878 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)[C@@H]2C1 ZINC001076549185 979649015 /nfs/dbraw/zinc/64/90/15/979649015.db2.gz YELMTYUMOPYECO-JKIFEVAISA-N 1 2 352.837 2.878 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(CC)o3)C[C@H]21)c1ccccc1 ZINC001076599423 979701863 /nfs/dbraw/zinc/70/18/63/979701863.db2.gz OPWUTMNGRZVYOD-RCCFBDPRSA-N 1 2 366.465 2.635 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3nnc(CC)o3)C[C@H]21)c1ccccc1 ZINC001076599423 979701871 /nfs/dbraw/zinc/70/18/71/979701871.db2.gz OPWUTMNGRZVYOD-RCCFBDPRSA-N 1 2 366.465 2.635 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccccc2O)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088471887 979760212 /nfs/dbraw/zinc/76/02/12/979760212.db2.gz JGVSDVGAOCGNNY-ACJLOTCBSA-N 1 2 353.397 2.796 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccccc2O)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088471887 979760214 /nfs/dbraw/zinc/76/02/14/979760214.db2.gz JGVSDVGAOCGNNY-ACJLOTCBSA-N 1 2 353.397 2.796 20 30 FFEDLO N#CCN1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001029918353 979801777 /nfs/dbraw/zinc/80/17/77/979801777.db2.gz CSZFKYFPILUVJN-IPMKNSEASA-N 1 2 363.465 2.530 20 30 FFEDLO N#CCN1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001029918353 979801779 /nfs/dbraw/zinc/80/17/79/979801779.db2.gz CSZFKYFPILUVJN-IPMKNSEASA-N 1 2 363.465 2.530 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001075885252 980477395 /nfs/dbraw/zinc/47/73/95/980477395.db2.gz NICXNWCABDPZAB-QFBILLFUSA-N 1 2 366.465 2.886 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001075885252 980477399 /nfs/dbraw/zinc/47/73/99/980477399.db2.gz NICXNWCABDPZAB-QFBILLFUSA-N 1 2 366.465 2.886 20 30 FFEDLO Cc1cnccc1CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001088569113 981149752 /nfs/dbraw/zinc/14/97/52/981149752.db2.gz HNSXTBDINRTMKI-QRWLVFNGSA-N 1 2 366.440 2.723 20 30 FFEDLO Cc1cnccc1CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001088569113 981149754 /nfs/dbraw/zinc/14/97/54/981149754.db2.gz HNSXTBDINRTMKI-QRWLVFNGSA-N 1 2 366.440 2.723 20 30 FFEDLO Cc1cc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc(C)c1C#N ZINC000907069896 981194467 /nfs/dbraw/zinc/19/44/67/981194467.db2.gz QYIHNPZJEOZLQC-UHFFFAOYSA-N 1 2 350.422 2.967 20 30 FFEDLO C=CCCC[C@H](NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000897489570 981296488 /nfs/dbraw/zinc/29/64/88/981296488.db2.gz HXDXNNAEXKTQKA-AEFFLSMTSA-N 1 2 354.454 2.602 20 30 FFEDLO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cc1 ZINC000877774337 1014723329 /nfs/dbraw/zinc/72/33/29/1014723329.db2.gz HXXQQNZBKANXMZ-QGZVFWFLSA-N 1 2 368.403 2.679 20 30 FFEDLO CN(CCC#N)c1ccc(C[N@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cc1 ZINC000877774337 1014723340 /nfs/dbraw/zinc/72/33/40/1014723340.db2.gz HXXQQNZBKANXMZ-QGZVFWFLSA-N 1 2 368.403 2.679 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1OC ZINC001211992780 981410666 /nfs/dbraw/zinc/41/06/66/981410666.db2.gz XAGWIGGJCYUEAK-BMGDILEWSA-N 1 2 366.889 2.637 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1OC ZINC001211992780 981410671 /nfs/dbraw/zinc/41/06/71/981410671.db2.gz XAGWIGGJCYUEAK-BMGDILEWSA-N 1 2 366.889 2.637 20 30 FFEDLO C=C(C)CN1CCC2(CCN(C(=O)c3c[nH]c4cc[nH+]cc34)CC2)C1=O ZINC001272124283 981697031 /nfs/dbraw/zinc/69/70/31/981697031.db2.gz YSWONISMBKFUJK-UHFFFAOYSA-N 1 2 352.438 2.594 20 30 FFEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)C1CCCCCCC1 ZINC001083629005 981709950 /nfs/dbraw/zinc/70/99/50/981709950.db2.gz YAUGPTCXLUKLFF-RTWAWAEBSA-N 1 2 354.494 2.560 20 30 FFEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)C1CCCCCCC1 ZINC001083629005 981709958 /nfs/dbraw/zinc/70/99/58/981709958.db2.gz YAUGPTCXLUKLFF-RTWAWAEBSA-N 1 2 354.494 2.560 20 30 FFEDLO C=CCCC[C@H](NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000898014523 982592132 /nfs/dbraw/zinc/59/21/32/982592132.db2.gz DVMKIOAMOREGRM-MSOLQXFVSA-N 1 2 366.465 2.528 20 30 FFEDLO CN([NH+]=Cc1ccccc1N1CCOCC1)C(=S)NCc1ccccc1 ZINC000912788478 984116677 /nfs/dbraw/zinc/11/66/77/984116677.db2.gz FBMLXZQURZVENW-UHFFFAOYSA-N 1 2 368.506 2.864 20 30 FFEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc([C@@H](C)OC)no1)CC2 ZINC001107319895 984448655 /nfs/dbraw/zinc/44/86/55/984448655.db2.gz UZKVRODJCBQKAH-SPYBWZPUSA-N 1 2 362.474 2.604 20 30 FFEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nc([C@@H](C)OC)no1)CC2 ZINC001107319895 984448657 /nfs/dbraw/zinc/44/86/57/984448657.db2.gz UZKVRODJCBQKAH-SPYBWZPUSA-N 1 2 362.474 2.604 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC/C=C\CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001107551297 984692592 /nfs/dbraw/zinc/69/25/92/984692592.db2.gz FZFXDHOJAJKNQM-SEDCNLEPSA-N 1 2 358.486 2.974 20 30 FFEDLO CC(C)N(C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000158179685 984794235 /nfs/dbraw/zinc/79/42/35/984794235.db2.gz QNMCBPFBZGZWTG-UHFFFAOYSA-N 1 2 353.422 2.700 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)cc3F)[C@@H]2C)c1 ZINC001088846576 984978526 /nfs/dbraw/zinc/97/85/26/984978526.db2.gz VRXCFHCYMJJVIO-YJYMSZOUSA-N 1 2 355.388 2.734 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)cc3F)[C@@H]2C)c1 ZINC001088846576 984978533 /nfs/dbraw/zinc/97/85/33/984978533.db2.gz VRXCFHCYMJJVIO-YJYMSZOUSA-N 1 2 355.388 2.734 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC3CCCCCC3)C2)s1 ZINC001077747629 985173818 /nfs/dbraw/zinc/17/38/18/985173818.db2.gz OJQRMYBSPSXJKJ-QZTJIDSGSA-N 1 2 361.511 2.642 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3CCCCCC3)C2)s1 ZINC001077747629 985173820 /nfs/dbraw/zinc/17/38/20/985173820.db2.gz OJQRMYBSPSXJKJ-QZTJIDSGSA-N 1 2 361.511 2.642 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2csc(C)n2)[C@@H]1C ZINC001088910872 985430407 /nfs/dbraw/zinc/43/04/07/985430407.db2.gz MNNIYTFQJHBLOL-QCSYZSNVSA-N 1 2 363.527 2.902 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2csc(C)n2)[C@@H]1C ZINC001088910872 985430410 /nfs/dbraw/zinc/43/04/10/985430410.db2.gz MNNIYTFQJHBLOL-QCSYZSNVSA-N 1 2 363.527 2.902 20 30 FFEDLO CC(C)(Cc1ccc(C#N)cc1)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000921631532 985507749 /nfs/dbraw/zinc/50/77/49/985507749.db2.gz WHISUTVIFPNFJD-SFHVURJKSA-N 1 2 363.465 2.852 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@@H+](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000878630916 1015142138 /nfs/dbraw/zinc/14/21/38/1015142138.db2.gz QSNGLXYWVXZJFH-OAQYLSRUSA-N 1 2 371.481 2.978 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@H+](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000878630916 1015142141 /nfs/dbraw/zinc/14/21/41/1015142141.db2.gz QSNGLXYWVXZJFH-OAQYLSRUSA-N 1 2 371.481 2.978 20 30 FFEDLO Cc1cnoc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1C ZINC001088955199 985601255 /nfs/dbraw/zinc/60/12/55/985601255.db2.gz WEGBBCFKEVUUHB-PBHICJAKSA-N 1 2 357.841 2.881 20 30 FFEDLO Cc1cnoc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1C ZINC001088955199 985601259 /nfs/dbraw/zinc/60/12/59/985601259.db2.gz WEGBBCFKEVUUHB-PBHICJAKSA-N 1 2 357.841 2.881 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(Cl)nc3)[C@@H]2C)cn1 ZINC001088990872 985789132 /nfs/dbraw/zinc/78/91/32/985789132.db2.gz UXRLGOLCCCEXBG-DYVFJYSZSA-N 1 2 354.841 2.504 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(Cl)nc3)[C@@H]2C)cn1 ZINC001088990872 985789142 /nfs/dbraw/zinc/78/91/42/985789142.db2.gz UXRLGOLCCCEXBG-DYVFJYSZSA-N 1 2 354.841 2.504 20 30 FFEDLO C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc4c[nH+]ccc4[nH]2)C3)C1 ZINC000998050533 985910188 /nfs/dbraw/zinc/91/01/88/985910188.db2.gz VAPOKBUZTCKMKJ-HFTRVMKXSA-N 1 2 364.449 2.781 20 30 FFEDLO C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC000998048856 985911500 /nfs/dbraw/zinc/91/15/00/985911500.db2.gz NSUMEMZPNRXFTK-KMFMINBZSA-N 1 2 352.438 2.637 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001007360081 1015193883 /nfs/dbraw/zinc/19/38/83/1015193883.db2.gz KAKLJLQNPKRKBK-AQNXPRMDSA-N 1 2 353.466 2.620 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001007360081 1015193887 /nfs/dbraw/zinc/19/38/87/1015193887.db2.gz KAKLJLQNPKRKBK-AQNXPRMDSA-N 1 2 353.466 2.620 20 30 FFEDLO CC1(C)CCC[C@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2O)C1 ZINC001078003855 986899879 /nfs/dbraw/zinc/89/98/79/986899879.db2.gz BTWQACNDKKHELR-NSISKUIASA-N 1 2 369.509 2.826 20 30 FFEDLO CC1(C)CCC[C@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2O)C1 ZINC001078003855 986899892 /nfs/dbraw/zinc/89/98/92/986899892.db2.gz BTWQACNDKKHELR-NSISKUIASA-N 1 2 369.509 2.826 20 30 FFEDLO CCOc1cccc(CNC(=O)CO[NH+]=C(N)Cc2ccccc2C)c1 ZINC000152042936 986994375 /nfs/dbraw/zinc/99/43/75/986994375.db2.gz FFIAOWMWERAMAF-UHFFFAOYSA-N 1 2 355.438 2.541 20 30 FFEDLO C#CC[C@@H]1CCN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000888395286 986996590 /nfs/dbraw/zinc/99/65/90/986996590.db2.gz SKBXTAVSOVKSCF-QGZVFWFLSA-N 1 2 354.498 2.776 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001031077094 987579281 /nfs/dbraw/zinc/57/92/81/987579281.db2.gz FVVSEOIDDYSQDE-SFTDATJTSA-N 1 2 354.494 2.847 20 30 FFEDLO CCCC[C@](C)(F)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212489514 987706956 /nfs/dbraw/zinc/70/69/56/987706956.db2.gz PCVACMPTLNITFK-NUJGCVRESA-N 1 2 367.490 2.854 20 30 FFEDLO CCCC[C@](C)(F)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212489514 987706963 /nfs/dbraw/zinc/70/69/63/987706963.db2.gz PCVACMPTLNITFK-NUJGCVRESA-N 1 2 367.490 2.854 20 30 FFEDLO CC(C)Oc1cccc(CNC(=O)CO[NH+]=C(N)c2ccc(F)cc2)c1 ZINC000762663010 988572161 /nfs/dbraw/zinc/57/21/61/988572161.db2.gz AVCFBFQPJVEPAC-UHFFFAOYSA-N 1 2 359.401 2.566 20 30 FFEDLO C=C(C)C[C@@H](CO)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000922737472 988851801 /nfs/dbraw/zinc/85/18/01/988851801.db2.gz KNHTUSQQATZTFN-HNNXBMFYSA-N 1 2 353.466 2.670 20 30 FFEDLO C=C(C)C[C@@H](CO)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000922737472 988851806 /nfs/dbraw/zinc/85/18/06/988851806.db2.gz KNHTUSQQATZTFN-HNNXBMFYSA-N 1 2 353.466 2.670 20 30 FFEDLO CCCC[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001212208809 989072603 /nfs/dbraw/zinc/07/26/03/989072603.db2.gz DJOYYWBPSXJNOG-GDIGMMSISA-N 1 2 361.461 2.839 20 30 FFEDLO CCCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001212208809 989072610 /nfs/dbraw/zinc/07/26/10/989072610.db2.gz DJOYYWBPSXJNOG-GDIGMMSISA-N 1 2 361.461 2.839 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C=C2CCC2)C1 ZINC000993634657 989320181 /nfs/dbraw/zinc/32/01/81/989320181.db2.gz BSWAEAUPZVTART-CBGDNZLLSA-N 1 2 370.497 2.543 20 30 FFEDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC001273129045 989510216 /nfs/dbraw/zinc/51/02/16/989510216.db2.gz FQAPYUKCAIXBII-KNVOCYPGSA-N 1 2 372.231 2.760 20 30 FFEDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC001273129045 989510227 /nfs/dbraw/zinc/51/02/27/989510227.db2.gz FQAPYUKCAIXBII-KNVOCYPGSA-N 1 2 372.231 2.760 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001033493385 989620978 /nfs/dbraw/zinc/62/09/78/989620978.db2.gz DIEUBQHEWMNQKW-BQFCYCMXSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001033493385 989620981 /nfs/dbraw/zinc/62/09/81/989620981.db2.gz DIEUBQHEWMNQKW-BQFCYCMXSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC001034407449 990051009 /nfs/dbraw/zinc/05/10/09/990051009.db2.gz CETKDYSHDDYMMJ-NXHRZFHOSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC001034407449 990051019 /nfs/dbraw/zinc/05/10/19/990051019.db2.gz CETKDYSHDDYMMJ-NXHRZFHOSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001035569999 990501043 /nfs/dbraw/zinc/50/10/43/990501043.db2.gz LEBVTLYZFSDFNL-QLFBSQMISA-N 1 2 368.399 2.601 20 30 FFEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001035569999 990501049 /nfs/dbraw/zinc/50/10/49/990501049.db2.gz LEBVTLYZFSDFNL-QLFBSQMISA-N 1 2 368.399 2.601 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001061886992 990507641 /nfs/dbraw/zinc/50/76/41/990507641.db2.gz IWTBCACWPLBYAB-OLMNPRSZSA-N 1 2 358.486 2.805 20 30 FFEDLO C=CC(C)(C)C(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001079021751 990756834 /nfs/dbraw/zinc/75/68/34/990756834.db2.gz QXALKMPOUZBDSO-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CC(C)(C)C(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001079021751 990756840 /nfs/dbraw/zinc/75/68/40/990756840.db2.gz QXALKMPOUZBDSO-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879549503 1015584710 /nfs/dbraw/zinc/58/47/10/1015584710.db2.gz RYTAFOSUSRXPRE-XOBRGWDASA-N 1 2 373.501 2.959 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nocc1C ZINC001089699851 991424249 /nfs/dbraw/zinc/42/42/49/991424249.db2.gz RCZJLQWLYQHAIZ-JZXOWHBKSA-N 1 2 361.486 2.681 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nocc1C ZINC001089699851 991424254 /nfs/dbraw/zinc/42/42/54/991424254.db2.gz RCZJLQWLYQHAIZ-JZXOWHBKSA-N 1 2 361.486 2.681 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001063604081 991520807 /nfs/dbraw/zinc/52/08/07/991520807.db2.gz DPLSJZUPQPWOJQ-MSOLQXFVSA-N 1 2 370.497 2.585 20 30 FFEDLO N#Cc1ccc(NCC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cn1 ZINC001063853815 991557364 /nfs/dbraw/zinc/55/73/64/991557364.db2.gz WCZMZVNFBSQSRY-RCCFBDPRSA-N 1 2 364.453 2.663 20 30 FFEDLO N#Cc1ccc(NCC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cn1 ZINC001063853815 991557374 /nfs/dbraw/zinc/55/73/74/991557374.db2.gz WCZMZVNFBSQSRY-RCCFBDPRSA-N 1 2 364.453 2.663 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1CCNc1cc[nH+]c(C)n1 ZINC001063852578 991557609 /nfs/dbraw/zinc/55/76/09/991557609.db2.gz GYFKUQMYNLQANN-KURKYZTESA-N 1 2 358.486 2.949 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001064647512 991670325 /nfs/dbraw/zinc/67/03/25/991670325.db2.gz JTIRMJRLPJXUCM-CUWPLCDZSA-N 1 2 370.497 2.585 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001212321056 991671985 /nfs/dbraw/zinc/67/19/85/991671985.db2.gz PSTMPIJLWFKLEZ-WOJBJXKFSA-N 1 2 371.456 2.781 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001212321056 991671988 /nfs/dbraw/zinc/67/19/88/991671988.db2.gz PSTMPIJLWFKLEZ-WOJBJXKFSA-N 1 2 371.456 2.781 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@H]21 ZINC001090292024 991686231 /nfs/dbraw/zinc/68/62/31/991686231.db2.gz ARWQSVDPCHWNNZ-BPQIPLTHSA-N 1 2 370.497 2.681 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C(C)(C)C(C)C ZINC001212334632 991713331 /nfs/dbraw/zinc/71/33/31/991713331.db2.gz BWFYNCPZQDTRCN-RTBURBONSA-N 1 2 360.473 2.675 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C(C)(C)C(C)C ZINC001212334632 991713348 /nfs/dbraw/zinc/71/33/48/991713348.db2.gz BWFYNCPZQDTRCN-RTBURBONSA-N 1 2 360.473 2.675 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1cccc(=O)[nH]1 ZINC001079531071 992169209 /nfs/dbraw/zinc/16/92/09/992169209.db2.gz ZPUYAENXKNYKML-RDTXWAMCSA-N 1 2 369.852 2.542 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1cccc(=O)[nH]1 ZINC001079531071 992169212 /nfs/dbraw/zinc/16/92/12/992169212.db2.gz ZPUYAENXKNYKML-RDTXWAMCSA-N 1 2 369.852 2.542 20 30 FFEDLO Cc1ncoc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC001079534281 992172543 /nfs/dbraw/zinc/17/25/43/992172543.db2.gz UKGWPWONQVRMDW-CXAGYDPISA-N 1 2 357.841 2.738 20 30 FFEDLO Cc1ncoc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC001079534281 992172551 /nfs/dbraw/zinc/17/25/51/992172551.db2.gz UKGWPWONQVRMDW-CXAGYDPISA-N 1 2 357.841 2.738 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2F)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079541862 992193043 /nfs/dbraw/zinc/19/30/43/992193043.db2.gz FPQQOXJUMVOUQD-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2F)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079541862 992193045 /nfs/dbraw/zinc/19/30/45/992193045.db2.gz FPQQOXJUMVOUQD-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2F)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079593871 992245573 /nfs/dbraw/zinc/24/55/73/992245573.db2.gz JXFGXKARHQISOP-BDJLRTHQSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2F)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079593871 992245583 /nfs/dbraw/zinc/24/55/83/992245583.db2.gz JXFGXKARHQISOP-BDJLRTHQSA-N 1 2 360.820 2.929 20 30 FFEDLO CCc1ncsc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001079813397 992443728 /nfs/dbraw/zinc/44/37/28/992443728.db2.gz RECPZWLHFIFTQV-RDTXWAMCSA-N 1 2 371.481 2.946 20 30 FFEDLO CCc1ncsc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001079813397 992443734 /nfs/dbraw/zinc/44/37/34/992443734.db2.gz RECPZWLHFIFTQV-RDTXWAMCSA-N 1 2 371.481 2.946 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccncc2CC)C1 ZINC001080004721 992671007 /nfs/dbraw/zinc/67/10/07/992671007.db2.gz FBYWNZHSUAIYLH-IAQYHMDHSA-N 1 2 352.276 2.603 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccncc2CC)C1 ZINC001080004721 992671008 /nfs/dbraw/zinc/67/10/08/992671008.db2.gz FBYWNZHSUAIYLH-IAQYHMDHSA-N 1 2 352.276 2.603 20 30 FFEDLO CCc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)c1 ZINC001080136353 992771221 /nfs/dbraw/zinc/77/12/21/992771221.db2.gz NRPMMCBICYJBOQ-JLTOFOAXSA-N 1 2 366.440 2.905 20 30 FFEDLO CCc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)c1 ZINC001080136353 992771229 /nfs/dbraw/zinc/77/12/29/992771229.db2.gz NRPMMCBICYJBOQ-JLTOFOAXSA-N 1 2 366.440 2.905 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1nc(Cl)cs1 ZINC001080328236 992936709 /nfs/dbraw/zinc/93/67/09/992936709.db2.gz DKVHTAQOFBFCDG-BXKDBHETSA-N 1 2 366.899 2.980 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1nc(Cl)cs1 ZINC001080328236 992936717 /nfs/dbraw/zinc/93/67/17/992936717.db2.gz DKVHTAQOFBFCDG-BXKDBHETSA-N 1 2 366.899 2.980 20 30 FFEDLO CC(C)c1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)on1 ZINC001080554266 993160161 /nfs/dbraw/zinc/16/01/61/993160161.db2.gz IXHBIVAJSSDDII-RDTXWAMCSA-N 1 2 352.438 2.920 20 30 FFEDLO CC(C)c1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)on1 ZINC001080554266 993160164 /nfs/dbraw/zinc/16/01/64/993160164.db2.gz IXHBIVAJSSDDII-RDTXWAMCSA-N 1 2 352.438 2.920 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c(Cl)nn(C)c2Cl)C1 ZINC001080595838 993175677 /nfs/dbraw/zinc/17/56/77/993175677.db2.gz PVWDPVVYNKOGDM-VXNVDRBHSA-N 1 2 351.665 2.530 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(Cl)nn(C)c2Cl)C1 ZINC001080595838 993175682 /nfs/dbraw/zinc/17/56/82/993175682.db2.gz PVWDPVVYNKOGDM-VXNVDRBHSA-N 1 2 351.665 2.530 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ncc(C)o3)C[C@H]2C)cc1 ZINC001080575439 993181818 /nfs/dbraw/zinc/18/18/18/993181818.db2.gz WEJQFDMIOACSBI-IDHHARJASA-N 1 2 367.449 2.806 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ncc(C)o3)C[C@H]2C)cc1 ZINC001080575439 993181822 /nfs/dbraw/zinc/18/18/22/993181822.db2.gz WEJQFDMIOACSBI-IDHHARJASA-N 1 2 367.449 2.806 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)c(C)o1 ZINC001080600805 993221288 /nfs/dbraw/zinc/22/12/88/993221288.db2.gz UCRNFWIJJFDRRW-SJKOYZFVSA-N 1 2 370.428 2.807 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)c(C)o1 ZINC001080600805 993221296 /nfs/dbraw/zinc/22/12/96/993221296.db2.gz UCRNFWIJJFDRRW-SJKOYZFVSA-N 1 2 370.428 2.807 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)oc2C)C[C@H]1C ZINC001080753470 993336127 /nfs/dbraw/zinc/33/61/27/993336127.db2.gz JXZPNVSXJZWCOQ-CZUORRHYSA-N 1 2 370.453 2.502 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@H+](Cc2nc(C)oc2C)C[C@H]1C ZINC001080753470 993336131 /nfs/dbraw/zinc/33/61/31/993336131.db2.gz JXZPNVSXJZWCOQ-CZUORRHYSA-N 1 2 370.453 2.502 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1scnc1Cl ZINC001080952727 993502309 /nfs/dbraw/zinc/50/23/09/993502309.db2.gz CALYGSBXQRGUJS-BXKDBHETSA-N 1 2 366.899 2.980 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1scnc1Cl ZINC001080952727 993502315 /nfs/dbraw/zinc/50/23/15/993502315.db2.gz CALYGSBXQRGUJS-BXKDBHETSA-N 1 2 366.899 2.980 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2N(C)C)C1 ZINC001081033589 993560371 /nfs/dbraw/zinc/56/03/71/993560371.db2.gz RXYLBZRNSRMMEY-IUODEOHRSA-N 1 2 366.303 2.711 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2N(C)C)C1 ZINC001081033589 993560375 /nfs/dbraw/zinc/56/03/75/993560375.db2.gz RXYLBZRNSRMMEY-IUODEOHRSA-N 1 2 366.303 2.711 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C=C1CCCCC1 ZINC001081418149 993826986 /nfs/dbraw/zinc/82/69/86/993826986.db2.gz IGLIWWSGSNGLGN-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C=C1CCCCC1 ZINC001081418149 993826991 /nfs/dbraw/zinc/82/69/91/993826991.db2.gz IGLIWWSGSNGLGN-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)[C@@H]1CC1(C)C ZINC001081548821 993887814 /nfs/dbraw/zinc/88/78/14/993887814.db2.gz WRPMIOSHUJQZMH-RCCFBDPRSA-N 1 2 360.885 2.553 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)[C@@H]1CC1(C)C ZINC001081548821 993887818 /nfs/dbraw/zinc/88/78/18/993887818.db2.gz WRPMIOSHUJQZMH-RCCFBDPRSA-N 1 2 360.885 2.553 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001081722818 993934860 /nfs/dbraw/zinc/93/48/60/993934860.db2.gz QVFJVACJQJQDIO-BHDDXSALSA-N 1 2 366.505 2.990 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001081722818 993934868 /nfs/dbraw/zinc/93/48/68/993934868.db2.gz QVFJVACJQJQDIO-BHDDXSALSA-N 1 2 366.505 2.990 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001081970473 994075415 /nfs/dbraw/zinc/07/54/15/994075415.db2.gz JFCIPYPSYCFDIK-RKWNZTQVSA-N 1 2 373.522 2.761 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001081970473 994075426 /nfs/dbraw/zinc/07/54/26/994075426.db2.gz JFCIPYPSYCFDIK-RKWNZTQVSA-N 1 2 373.522 2.761 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2OC)CC1 ZINC001082098035 994155757 /nfs/dbraw/zinc/15/57/57/994155757.db2.gz NZYIKFWENOVJEO-QZTJIDSGSA-N 1 2 359.495 2.682 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2OC)CC1 ZINC001082098035 994155766 /nfs/dbraw/zinc/15/57/66/994155766.db2.gz NZYIKFWENOVJEO-QZTJIDSGSA-N 1 2 359.495 2.682 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cc(C)cc(F)c1 ZINC001082161336 994235023 /nfs/dbraw/zinc/23/50/23/994235023.db2.gz FQCOJTUPBQVSTA-NHCUHLMSSA-N 1 2 366.436 2.615 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cc(C)cc(F)c1 ZINC001082161336 994235033 /nfs/dbraw/zinc/23/50/33/994235033.db2.gz FQCOJTUPBQVSTA-NHCUHLMSSA-N 1 2 366.436 2.615 20 30 FFEDLO Cc1c(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cnn1CCC#N ZINC000888818989 1015862692 /nfs/dbraw/zinc/86/26/92/1015862692.db2.gz YNBIAWOJSXSJAB-OAHLLOKOSA-N 1 2 367.453 2.751 20 30 FFEDLO Cc1c(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cnn1CCC#N ZINC000888818988 1015862778 /nfs/dbraw/zinc/86/27/78/1015862778.db2.gz YNBIAWOJSXSJAB-HNNXBMFYSA-N 1 2 367.453 2.751 20 30 FFEDLO C=C(C)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001053845704 1015889967 /nfs/dbraw/zinc/88/99/67/1015889967.db2.gz VAUAQLUYEZDOAR-CWQOZTLDSA-N 1 2 370.497 2.755 20 30 FFEDLO C=C(C)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001053845704 1015889979 /nfs/dbraw/zinc/88/99/79/1015889979.db2.gz VAUAQLUYEZDOAR-CWQOZTLDSA-N 1 2 370.497 2.755 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)CO2 ZINC001053874258 1015895624 /nfs/dbraw/zinc/89/56/24/1015895624.db2.gz BNDYJCUCPNPGAL-BHYGNILZSA-N 1 2 362.420 2.604 20 30 FFEDLO Cc1cccc(CNC(=O)[C@@H](C#N)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)c1 ZINC000810709029 994893398 /nfs/dbraw/zinc/89/33/98/994893398.db2.gz OARJANUAQDPCJW-JXFKEZNVSA-N 1 2 359.445 2.533 20 30 FFEDLO Cc1cccc(CNC(=O)[C@@H](C#N)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)c1 ZINC000810709029 994893404 /nfs/dbraw/zinc/89/34/04/994893404.db2.gz OARJANUAQDPCJW-JXFKEZNVSA-N 1 2 359.445 2.533 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)c1C#N ZINC000811514184 995172336 /nfs/dbraw/zinc/17/23/36/995172336.db2.gz DQQMSQZYMXOLBM-CQSZACIVSA-N 1 2 367.478 2.936 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)c3nc(C(C)C)no3)C2)cc1 ZINC001082678862 995254975 /nfs/dbraw/zinc/25/49/75/995254975.db2.gz ZBQORAIBTWTOHM-IIDMSEBBSA-N 1 2 366.465 2.986 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc([C@H](C)OCC)no2)C1 ZINC001082682049 995269837 /nfs/dbraw/zinc/26/98/37/995269837.db2.gz PRNSCCIMTOAKTH-QLFBSQMISA-N 1 2 364.490 2.706 20 30 FFEDLO C#C[C@@H](NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)c1ccc(F)cc1 ZINC000812955072 995591704 /nfs/dbraw/zinc/59/17/04/995591704.db2.gz MCEQHORQCOPART-QGZVFWFLSA-N 1 2 368.412 2.862 20 30 FFEDLO CC(C)=CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001082988299 995983718 /nfs/dbraw/zinc/98/37/18/995983718.db2.gz UUCFWZWLOKMVPO-RBUKOAKNSA-N 1 2 358.869 2.569 20 30 FFEDLO CC(C)=CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001082988299 995983721 /nfs/dbraw/zinc/98/37/21/995983721.db2.gz UUCFWZWLOKMVPO-RBUKOAKNSA-N 1 2 358.869 2.569 20 30 FFEDLO CCc1ocnc1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084247121 996352990 /nfs/dbraw/zinc/35/29/90/996352990.db2.gz XKGJCGXKYNSKBK-RHSMWYFYSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1ocnc1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084247121 996352996 /nfs/dbraw/zinc/35/29/96/996352996.db2.gz XKGJCGXKYNSKBK-RHSMWYFYSA-N 1 2 368.412 2.594 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[C@@H]4C(F)F)[C@@H]3C2)c(F)c1 ZINC001084314692 996447280 /nfs/dbraw/zinc/44/72/80/996447280.db2.gz ZELYKPWFJGZFOI-WBTNSWJXSA-N 1 2 363.383 2.631 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[C@@H]4C(F)F)[C@@H]3C2)c(F)c1 ZINC001084314692 996447283 /nfs/dbraw/zinc/44/72/83/996447283.db2.gz ZELYKPWFJGZFOI-WBTNSWJXSA-N 1 2 363.383 2.631 20 30 FFEDLO Cc1cnccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084328067 996458021 /nfs/dbraw/zinc/45/80/21/996458021.db2.gz MBFWVOKYHAQOIR-OXQOHEQNSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cnccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084328067 996458025 /nfs/dbraw/zinc/45/80/25/996458025.db2.gz MBFWVOKYHAQOIR-OXQOHEQNSA-N 1 2 364.424 2.747 20 30 FFEDLO O=C(c1ccsn1)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084439295 996590895 /nfs/dbraw/zinc/59/08/95/996590895.db2.gz BOVYOUMCYIYIOJ-CRAIPNDOSA-N 1 2 371.893 2.995 20 30 FFEDLO O=C(c1ccsn1)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084439295 996590899 /nfs/dbraw/zinc/59/08/99/996590899.db2.gz BOVYOUMCYIYIOJ-CRAIPNDOSA-N 1 2 371.893 2.995 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCOc4c(F)cccc43)[C@@H]2C1 ZINC001084507022 996629371 /nfs/dbraw/zinc/62/93/71/996629371.db2.gz DJXQUSPZFYGIKJ-UKPHBRMFSA-N 1 2 364.848 2.977 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCOc4c(F)cccc43)[C@@H]2C1 ZINC001084507022 996629373 /nfs/dbraw/zinc/62/93/73/996629373.db2.gz DJXQUSPZFYGIKJ-UKPHBRMFSA-N 1 2 364.848 2.977 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)nc1C ZINC001084523077 996644757 /nfs/dbraw/zinc/64/47/57/996644757.db2.gz WDIWZOWJJDRYGL-TZIWHRDSSA-N 1 2 360.461 2.917 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)nc1C ZINC001084523077 996644762 /nfs/dbraw/zinc/64/47/62/996644762.db2.gz WDIWZOWJJDRYGL-TZIWHRDSSA-N 1 2 360.461 2.917 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3cnnn3-c3ccccc3)C[C@H]21 ZINC001084578393 996692693 /nfs/dbraw/zinc/69/26/93/996692693.db2.gz WLEBZXWLDRAACT-VQIMIIECSA-N 1 2 365.481 2.512 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cnnn3-c3ccccc3)C[C@H]21 ZINC001084578393 996692696 /nfs/dbraw/zinc/69/26/96/996692696.db2.gz WLEBZXWLDRAACT-VQIMIIECSA-N 1 2 365.481 2.512 20 30 FFEDLO CCc1nocc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084640698 996753087 /nfs/dbraw/zinc/75/30/87/996753087.db2.gz GHLWAFVEGKPELX-DNVCBOLYSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1nocc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084640698 996753090 /nfs/dbraw/zinc/75/30/90/996753090.db2.gz GHLWAFVEGKPELX-DNVCBOLYSA-N 1 2 368.412 2.594 20 30 FFEDLO Cc1c(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)ccn1C ZINC001084641515 996753113 /nfs/dbraw/zinc/75/31/13/996753113.db2.gz GLNCVUYPBYNDLI-OXQOHEQNSA-N 1 2 366.440 2.691 20 30 FFEDLO Cc1c(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)ccn1C ZINC001084641515 996753116 /nfs/dbraw/zinc/75/31/16/996753116.db2.gz GLNCVUYPBYNDLI-OXQOHEQNSA-N 1 2 366.440 2.691 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](Cc4noc5c4CCCC5)C[C@H]32)C1 ZINC001084645481 996757918 /nfs/dbraw/zinc/75/79/18/996757918.db2.gz XDNBYKIBRQILRJ-CRAIPNDOSA-N 1 2 355.482 2.942 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+](Cc4noc5c4CCCC5)C[C@H]32)C1 ZINC001084645481 996757923 /nfs/dbraw/zinc/75/79/23/996757923.db2.gz XDNBYKIBRQILRJ-CRAIPNDOSA-N 1 2 355.482 2.942 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4conc4C4CC4)[C@@H]3C2)s1 ZINC001084653305 996763988 /nfs/dbraw/zinc/76/39/88/996763988.db2.gz CVMBJMARDCZEOS-CXAGYDPISA-N 1 2 368.462 2.832 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4conc4C4CC4)[C@@H]3C2)s1 ZINC001084653305 996763995 /nfs/dbraw/zinc/76/39/95/996763995.db2.gz CVMBJMARDCZEOS-CXAGYDPISA-N 1 2 368.462 2.832 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084670507 996808248 /nfs/dbraw/zinc/80/82/48/996808248.db2.gz WASKHARUKCWRNP-QOJCHSLYSA-N 1 2 372.896 2.649 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084670507 996808261 /nfs/dbraw/zinc/80/82/61/996808261.db2.gz WASKHARUKCWRNP-QOJCHSLYSA-N 1 2 372.896 2.649 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)C4(CF)CCC4)[C@@H]3C2)c1 ZINC001084671449 996813067 /nfs/dbraw/zinc/81/30/67/996813067.db2.gz UEVFLDFGFHVQHU-CRAIPNDOSA-N 1 2 359.420 2.870 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C4(CF)CCC4)[C@@H]3C2)c1 ZINC001084671449 996813076 /nfs/dbraw/zinc/81/30/76/996813076.db2.gz UEVFLDFGFHVQHU-CRAIPNDOSA-N 1 2 359.420 2.870 20 30 FFEDLO CCCNc1ccc(C#N)cc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC001136838990 996844755 /nfs/dbraw/zinc/84/47/55/996844755.db2.gz VHPOTKKWBHCTCY-MRXNPFEDSA-N 1 2 372.469 2.594 20 30 FFEDLO CCCNc1ccc(C#N)cc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC001136838990 996844769 /nfs/dbraw/zinc/84/47/69/996844769.db2.gz VHPOTKKWBHCTCY-MRXNPFEDSA-N 1 2 372.469 2.594 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccncc3Cl)[C@@H]2C1 ZINC001084681310 996880569 /nfs/dbraw/zinc/88/05/69/996880569.db2.gz CPLWTVWABFMAKP-VQIMIIECSA-N 1 2 366.852 2.953 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccncc3Cl)[C@@H]2C1 ZINC001084681310 996880580 /nfs/dbraw/zinc/88/05/80/996880580.db2.gz CPLWTVWABFMAKP-VQIMIIECSA-N 1 2 366.852 2.953 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cncc(Cl)c3)[C@@H]2C1 ZINC001084720832 997076008 /nfs/dbraw/zinc/07/60/08/997076008.db2.gz MAESQLKBPWMQIM-VQIMIIECSA-N 1 2 366.852 2.953 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cncc(Cl)c3)[C@@H]2C1 ZINC001084720832 997076021 /nfs/dbraw/zinc/07/60/21/997076021.db2.gz MAESQLKBPWMQIM-VQIMIIECSA-N 1 2 366.852 2.953 20 30 FFEDLO CC(C)c1ocnc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084761075 997236257 /nfs/dbraw/zinc/23/62/57/997236257.db2.gz NSYCJGMSJFIHAI-RTBURBONSA-N 1 2 363.461 2.996 20 30 FFEDLO CC(C)c1ocnc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084761075 997236267 /nfs/dbraw/zinc/23/62/67/997236267.db2.gz NSYCJGMSJFIHAI-RTBURBONSA-N 1 2 363.461 2.996 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3n[nH]c4ccccc43)[C@@H]2C1 ZINC001084808200 997465533 /nfs/dbraw/zinc/46/55/33/997465533.db2.gz CIOBAWKKTSNROZ-YLJYHZDGSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3n[nH]c4ccccc43)[C@@H]2C1 ZINC001084808200 997465540 /nfs/dbraw/zinc/46/55/40/997465540.db2.gz CIOBAWKKTSNROZ-YLJYHZDGSA-N 1 2 371.444 2.781 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(OCC)c(OC)c3)[C@@H]2C1 ZINC001084825030 997558237 /nfs/dbraw/zinc/55/82/37/997558237.db2.gz GBXCSYSIKKBQHV-HZPDHXFCSA-N 1 2 364.873 2.993 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(OCC)c(OC)c3)[C@@H]2C1 ZINC001084825030 997558244 /nfs/dbraw/zinc/55/82/44/997558244.db2.gz GBXCSYSIKKBQHV-HZPDHXFCSA-N 1 2 364.873 2.993 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(OC)no3)C[C@H]21)c1ccccc1 ZINC001084846965 997630506 /nfs/dbraw/zinc/63/05/06/997630506.db2.gz GFYDDNZGMDOUMF-BHIYHBOVSA-N 1 2 367.449 2.686 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3cc(OC)no3)C[C@H]21)c1ccccc1 ZINC001084846965 997630511 /nfs/dbraw/zinc/63/05/11/997630511.db2.gz GFYDDNZGMDOUMF-BHIYHBOVSA-N 1 2 367.449 2.686 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3cnc(C)cn3)C[C@H]21)c1ccccc1 ZINC001084847023 997631037 /nfs/dbraw/zinc/63/10/37/997631037.db2.gz ICRLQJBJGQMYDZ-HMXCVIKNSA-N 1 2 362.477 2.788 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3cnc(C)cn3)C[C@H]21)c1ccccc1 ZINC001084847023 997631048 /nfs/dbraw/zinc/63/10/48/997631048.db2.gz ICRLQJBJGQMYDZ-HMXCVIKNSA-N 1 2 362.477 2.788 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccncc3)C[C@@H]21 ZINC001084880404 997814097 /nfs/dbraw/zinc/81/40/97/997814097.db2.gz KNOYTHYYZVSKQT-QRWLVFNGSA-N 1 2 364.424 2.829 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccncc3)C[C@@H]21 ZINC001084880404 997814105 /nfs/dbraw/zinc/81/41/05/997814105.db2.gz KNOYTHYYZVSKQT-QRWLVFNGSA-N 1 2 364.424 2.829 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1OC ZINC001090932688 997814533 /nfs/dbraw/zinc/81/45/33/997814533.db2.gz NOLORIQBLQIARA-BRWVUGGUSA-N 1 2 360.502 2.831 20 30 FFEDLO COCCN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000844354428 997823370 /nfs/dbraw/zinc/82/33/70/997823370.db2.gz JEQMTNSVRISNAZ-UHFFFAOYSA-N 1 2 374.485 2.801 20 30 FFEDLO C=CCC(C)(C)C(=O)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001144068780 997979007 /nfs/dbraw/zinc/97/90/07/997979007.db2.gz RWGZMBNCYBCSGG-INIZCTEOSA-N 1 2 354.454 2.918 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3coc(-c4cccs4)n3)[C@H]2C1 ZINC001084905105 998000089 /nfs/dbraw/zinc/00/00/89/998000089.db2.gz VPGJRBZJMDUWDU-FMKPAKJESA-N 1 2 370.478 2.986 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@@H+](Cc3coc(-c4cccs4)n3)[C@H]2C1 ZINC001084905105 998000101 /nfs/dbraw/zinc/00/01/01/998000101.db2.gz VPGJRBZJMDUWDU-FMKPAKJESA-N 1 2 370.478 2.986 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ccc(C#N)cn2)C2COC2)CC1 ZINC001144163145 998078014 /nfs/dbraw/zinc/07/80/14/998078014.db2.gz PEARSDFTQKLKOJ-UHFFFAOYSA-N 1 2 372.469 2.554 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ccc(C#N)cn2)C2COC2)CC1 ZINC001144163145 998078018 /nfs/dbraw/zinc/07/80/18/998078018.db2.gz PEARSDFTQKLKOJ-UHFFFAOYSA-N 1 2 372.469 2.554 20 30 FFEDLO O=C(c1ccns1)N1CC[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@H]2C1 ZINC001084952008 998296119 /nfs/dbraw/zinc/29/61/19/998296119.db2.gz ODFSDKBOVXQIGZ-AEFFLSMTSA-N 1 2 369.465 2.870 20 30 FFEDLO O=C(c1ccns1)N1CC[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)[C@H]2C1 ZINC001084952008 998296131 /nfs/dbraw/zinc/29/61/31/998296131.db2.gz ODFSDKBOVXQIGZ-AEFFLSMTSA-N 1 2 369.465 2.870 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@H+](Cc3nccs3)[C@H]2C1 ZINC001084959159 998362464 /nfs/dbraw/zinc/36/24/64/998362464.db2.gz YNGOBRFSSWGULX-WBVHZDCISA-N 1 2 356.495 2.867 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@@H+](Cc3nccs3)[C@H]2C1 ZINC001084959159 998362474 /nfs/dbraw/zinc/36/24/74/998362474.db2.gz YNGOBRFSSWGULX-WBVHZDCISA-N 1 2 356.495 2.867 20 30 FFEDLO N#C[C@@H](C(=O)C[N@@H+]1CC[C@H](c2ccco2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000732205098 998547796 /nfs/dbraw/zinc/54/77/96/998547796.db2.gz AJZGPEOPHWEQOC-ZFWWWQNUSA-N 1 2 362.389 2.594 20 30 FFEDLO N#C[C@@H](C(=O)C[N@H+]1CC[C@H](c2ccco2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000732205098 998547801 /nfs/dbraw/zinc/54/78/01/998547801.db2.gz AJZGPEOPHWEQOC-ZFWWWQNUSA-N 1 2 362.389 2.594 20 30 FFEDLO CCOC(=O)Nc1ccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1C#N ZINC000845859814 998673161 /nfs/dbraw/zinc/67/31/61/998673161.db2.gz VUUIXAPVWMZIIF-UHFFFAOYSA-N 1 2 367.409 2.841 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4nc(C5CC5)no4)[C@H]3C2)C1 ZINC001085026910 998711972 /nfs/dbraw/zinc/71/19/72/998711972.db2.gz AGYIEXIHKDGMPJ-ZBFHGGJFSA-N 1 2 356.470 2.726 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nc(C5CC5)no4)[C@H]3C2)C1 ZINC001085026910 998711976 /nfs/dbraw/zinc/71/19/76/998711976.db2.gz AGYIEXIHKDGMPJ-ZBFHGGJFSA-N 1 2 356.470 2.726 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3ncccn3)[C@H]2C1)c1ccccc1 ZINC001085099157 998940696 /nfs/dbraw/zinc/94/06/96/998940696.db2.gz GQBBZFZEIZNFMB-AQNXPRMDSA-N 1 2 362.477 2.869 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncccn3)[C@H]2C1)c1ccccc1 ZINC001085099157 998940699 /nfs/dbraw/zinc/94/06/99/998940699.db2.gz GQBBZFZEIZNFMB-AQNXPRMDSA-N 1 2 362.477 2.869 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C)no3)[C@H]2C1)c1ccccc1 ZINC001085099282 998941593 /nfs/dbraw/zinc/94/15/93/998941593.db2.gz LMPUSIHMAHAXGG-QRVBRYPASA-N 1 2 366.465 2.771 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C)no3)[C@H]2C1)c1ccccc1 ZINC001085099282 998941596 /nfs/dbraw/zinc/94/15/96/998941596.db2.gz LMPUSIHMAHAXGG-QRVBRYPASA-N 1 2 366.465 2.771 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cnc(COC)s3)C[C@@H]21 ZINC001085107530 998967928 /nfs/dbraw/zinc/96/79/28/998967928.db2.gz XFLNHKBJCYJMQA-OLZOCXBDSA-N 1 2 355.891 2.578 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc(COC)s3)C[C@@H]21 ZINC001085107530 998967931 /nfs/dbraw/zinc/96/79/31/998967931.db2.gz XFLNHKBJCYJMQA-OLZOCXBDSA-N 1 2 355.891 2.578 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@](C)(CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001065488639 999114342 /nfs/dbraw/zinc/11/43/42/999114342.db2.gz CVWLIPRLPVGNQS-WWMYMODYSA-N 1 2 370.497 2.904 20 30 FFEDLO C=CCC1(C(=O)N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CCC1 ZINC001066279149 999577286 /nfs/dbraw/zinc/57/72/86/999577286.db2.gz SWOHSCUUNZCSMY-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC1(C(=O)N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CCC1 ZINC001066279149 999577292 /nfs/dbraw/zinc/57/72/92/999577292.db2.gz SWOHSCUUNZCSMY-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001085736599 999617186 /nfs/dbraw/zinc/61/71/86/999617186.db2.gz OUSZCNSQYPOAGB-GGPKGHCWSA-N 1 2 371.456 2.545 20 30 FFEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001085736599 999617188 /nfs/dbraw/zinc/61/71/88/999617188.db2.gz OUSZCNSQYPOAGB-GGPKGHCWSA-N 1 2 371.456 2.545 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000739904156 999657249 /nfs/dbraw/zinc/65/72/49/999657249.db2.gz OZJDQXDKVUYMLD-SVFBPWRDSA-N 1 2 361.445 2.841 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000739904156 999657251 /nfs/dbraw/zinc/65/72/51/999657251.db2.gz OZJDQXDKVUYMLD-SVFBPWRDSA-N 1 2 361.445 2.841 20 30 FFEDLO CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108226144 999697753 /nfs/dbraw/zinc/69/77/53/999697753.db2.gz KXLJNCDDWVORIC-SJBKTWHCSA-N 1 2 369.509 2.948 20 30 FFEDLO CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108226144 999697755 /nfs/dbraw/zinc/69/77/55/999697755.db2.gz KXLJNCDDWVORIC-SJBKTWHCSA-N 1 2 369.509 2.948 20 30 FFEDLO CC[N@H+](C)[C@@H](C(=O)OCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000741150818 999711818 /nfs/dbraw/zinc/71/18/18/999711818.db2.gz NSXWXOYHWRHHKQ-GOSISDBHSA-N 1 2 357.454 2.565 20 30 FFEDLO CC[N@@H+](C)[C@@H](C(=O)OCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000741150818 999711819 /nfs/dbraw/zinc/71/18/19/999711819.db2.gz NSXWXOYHWRHHKQ-GOSISDBHSA-N 1 2 357.454 2.565 20 30 FFEDLO C=CCN(CC=C)C(=O)COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741353692 999723559 /nfs/dbraw/zinc/72/35/59/999723559.db2.gz QWRHWXAOBMBGDJ-IBGZPJMESA-N 1 2 356.466 2.785 20 30 FFEDLO C=CCN(CC=C)C(=O)COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741353692 999723563 /nfs/dbraw/zinc/72/35/63/999723563.db2.gz QWRHWXAOBMBGDJ-IBGZPJMESA-N 1 2 356.466 2.785 20 30 FFEDLO C[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000741796946 999743524 /nfs/dbraw/zinc/74/35/24/999743524.db2.gz GOUBPDGVMISXMX-KDOFPFPSSA-N 1 2 372.428 2.958 20 30 FFEDLO C[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000741796946 999743526 /nfs/dbraw/zinc/74/35/26/999743526.db2.gz GOUBPDGVMISXMX-KDOFPFPSSA-N 1 2 372.428 2.958 20 30 FFEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@](C)(CC)CCCCCC)CC1 ZINC000742642944 999781451 /nfs/dbraw/zinc/78/14/51/999781451.db2.gz VDVPXUULQOEADX-NRFANRHFSA-N 1 2 363.546 2.657 20 30 FFEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@](C)(CC)CCCCCC)CC1 ZINC000742642944 999781453 /nfs/dbraw/zinc/78/14/53/999781453.db2.gz VDVPXUULQOEADX-NRFANRHFSA-N 1 2 363.546 2.657 20 30 FFEDLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000745083601 999894192 /nfs/dbraw/zinc/89/41/92/999894192.db2.gz CQKZMCIHBVKPTR-RXCRORICSA-N 1 2 363.502 2.723 20 30 FFEDLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000745083601 999894194 /nfs/dbraw/zinc/89/41/94/999894194.db2.gz CQKZMCIHBVKPTR-RXCRORICSA-N 1 2 363.502 2.723 20 30 FFEDLO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)CO1 ZINC001169319137 1000038456 /nfs/dbraw/zinc/03/84/56/1000038456.db2.gz DRGUPOAKPDYUCP-HTQZYQBOSA-N 1 2 355.250 2.520 20 30 FFEDLO CSc1nc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)ccc1C#N ZINC001276130995 1016378494 /nfs/dbraw/zinc/37/84/94/1016378494.db2.gz SBTKMAKMYSKRLZ-ZIAGYGMSSA-N 1 2 366.437 2.506 20 30 FFEDLO CSc1nc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)ccc1C#N ZINC001276130995 1016378500 /nfs/dbraw/zinc/37/85/00/1016378500.db2.gz SBTKMAKMYSKRLZ-ZIAGYGMSSA-N 1 2 366.437 2.506 20 30 FFEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(C(=O)OCC)CC1 ZINC001169650682 1000065774 /nfs/dbraw/zinc/06/57/74/1000065774.db2.gz BPLCZGJNTIPYKS-MOPGFXCFSA-N 1 2 374.481 2.928 20 30 FFEDLO CN(C)c1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)nc1 ZINC001096630489 1016381168 /nfs/dbraw/zinc/38/11/68/1016381168.db2.gz GOQXDROLTIACPN-COPCDDAFSA-N 1 2 374.488 2.534 20 30 FFEDLO CN(C)c1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)nc1 ZINC001096630489 1016381176 /nfs/dbraw/zinc/38/11/76/1016381176.db2.gz GOQXDROLTIACPN-COPCDDAFSA-N 1 2 374.488 2.534 20 30 FFEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001108947322 1000137257 /nfs/dbraw/zinc/13/72/57/1000137257.db2.gz OBKWUZDZUZFYBP-SQNIBIBYSA-N 1 2 373.909 2.670 20 30 FFEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001108947322 1000137259 /nfs/dbraw/zinc/13/72/59/1000137259.db2.gz OBKWUZDZUZFYBP-SQNIBIBYSA-N 1 2 373.909 2.670 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001108999210 1000146617 /nfs/dbraw/zinc/14/66/17/1000146617.db2.gz MTGCXINSOKVAIR-DBOLQNLKSA-N 1 2 372.484 2.960 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001108999210 1000146618 /nfs/dbraw/zinc/14/66/18/1000146618.db2.gz MTGCXINSOKVAIR-DBOLQNLKSA-N 1 2 372.484 2.960 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)s1 ZINC001109037923 1000157188 /nfs/dbraw/zinc/15/71/88/1000157188.db2.gz HAZJPKKOJLWTJM-SIXLDLHFSA-N 1 2 363.527 2.963 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)s1 ZINC001109037923 1000157189 /nfs/dbraw/zinc/15/71/89/1000157189.db2.gz HAZJPKKOJLWTJM-SIXLDLHFSA-N 1 2 363.527 2.963 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1coc(-c2ccccc2)n1 ZINC001109065348 1000158290 /nfs/dbraw/zinc/15/82/90/1000158290.db2.gz LBHWFCBTGRCXSI-QYZOEREBSA-N 1 2 367.449 2.766 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1coc(-c2ccccc2)n1 ZINC001109065348 1000158291 /nfs/dbraw/zinc/15/82/91/1000158291.db2.gz LBHWFCBTGRCXSI-QYZOEREBSA-N 1 2 367.449 2.766 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(CC(F)(F)F)n1 ZINC001109054862 1000160324 /nfs/dbraw/zinc/16/03/24/1000160324.db2.gz CCKLTCNWPFLSRW-ILXRZTDVSA-N 1 2 356.392 2.633 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(CC(F)(F)F)n1 ZINC001109054862 1000160325 /nfs/dbraw/zinc/16/03/25/1000160325.db2.gz CCKLTCNWPFLSRW-ILXRZTDVSA-N 1 2 356.392 2.633 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(-c2ccccc2)no1 ZINC001109054941 1000160328 /nfs/dbraw/zinc/16/03/28/1000160328.db2.gz HHIHHKOQAJISFE-IKGGRYGDSA-N 1 2 352.438 2.924 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(-c2ccccc2)no1 ZINC001109054941 1000160330 /nfs/dbraw/zinc/16/03/30/1000160330.db2.gz HHIHHKOQAJISFE-IKGGRYGDSA-N 1 2 352.438 2.924 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)c(OC)c1 ZINC001109070819 1000161532 /nfs/dbraw/zinc/16/15/32/1000161532.db2.gz KKLMVKCALQGMCO-PVAVHDDUSA-N 1 2 364.873 2.773 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)c(OC)c1 ZINC001109070819 1000161534 /nfs/dbraw/zinc/16/15/34/1000161534.db2.gz KKLMVKCALQGMCO-PVAVHDDUSA-N 1 2 364.873 2.773 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C(C)C ZINC001109266091 1000207274 /nfs/dbraw/zinc/20/72/74/1000207274.db2.gz MDBPMMVZNHMKSN-FYQPLNBISA-N 1 2 355.482 2.841 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C(C)C ZINC001109266091 1000207279 /nfs/dbraw/zinc/20/72/79/1000207279.db2.gz MDBPMMVZNHMKSN-FYQPLNBISA-N 1 2 355.482 2.841 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001109267188 1000209386 /nfs/dbraw/zinc/20/93/86/1000209386.db2.gz CUVCFAUVEWNJAE-KKXDTOCCSA-N 1 2 360.502 2.714 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(CC)n1 ZINC001109282095 1000224297 /nfs/dbraw/zinc/22/42/97/1000224297.db2.gz XWFQIOQMLANQQH-AABGKKOBSA-N 1 2 374.529 2.888 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(CC)n1 ZINC001109282095 1000224302 /nfs/dbraw/zinc/22/43/02/1000224302.db2.gz XWFQIOQMLANQQH-AABGKKOBSA-N 1 2 374.529 2.888 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)c(OC)co1 ZINC001109328670 1000295036 /nfs/dbraw/zinc/29/50/36/1000295036.db2.gz VCTYQJLWBGCUIT-NJAFHUGGSA-N 1 2 372.465 2.638 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(=O)c(OC)co1 ZINC001109328670 1000295041 /nfs/dbraw/zinc/29/50/41/1000295041.db2.gz VCTYQJLWBGCUIT-NJAFHUGGSA-N 1 2 372.465 2.638 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1)OCC ZINC001109357300 1000302983 /nfs/dbraw/zinc/30/29/83/1000302983.db2.gz AKEHIYCXXSCKOY-YDZRNGNQSA-N 1 2 361.461 2.814 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1)OCC ZINC001109357300 1000302988 /nfs/dbraw/zinc/30/29/88/1000302988.db2.gz AKEHIYCXXSCKOY-YDZRNGNQSA-N 1 2 361.461 2.814 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)OCCc3ccccc31)C2 ZINC001096648911 1016403348 /nfs/dbraw/zinc/40/33/48/1016403348.db2.gz UJCLCQHJJVNBTI-HYJFEMIMSA-N 1 2 360.885 2.949 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)OCCc3ccccc31)C2 ZINC001096648911 1016403356 /nfs/dbraw/zinc/40/33/56/1016403356.db2.gz UJCLCQHJJVNBTI-HYJFEMIMSA-N 1 2 360.885 2.949 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@H+]([C@@H](C)Cc1cccc(C#N)c1)[C@H]2C ZINC001171232397 1000373535 /nfs/dbraw/zinc/37/35/35/1000373535.db2.gz REVLTWVTOSOEPQ-GJZGRUSLSA-N 1 2 352.438 2.939 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)[C@H]2C ZINC001171232397 1000373539 /nfs/dbraw/zinc/37/35/39/1000373539.db2.gz REVLTWVTOSOEPQ-GJZGRUSLSA-N 1 2 352.438 2.939 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001091293213 1000378829 /nfs/dbraw/zinc/37/88/29/1000378829.db2.gz RTCPRBDSNQEOFB-SPYBWZPUSA-N 1 2 356.474 2.805 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC001091295531 1000380245 /nfs/dbraw/zinc/38/02/45/1000380245.db2.gz AJJVOLSPQRQAIM-DJIMGWMZSA-N 1 2 352.442 2.640 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3C[C@H]3CC)c2)C1 ZINC001091405738 1000438416 /nfs/dbraw/zinc/43/84/16/1000438416.db2.gz IJLLBYMOTJZSQI-FHLIZLRMSA-N 1 2 363.889 2.950 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3C[C@H]3CC)c2)C1 ZINC001091405738 1000438420 /nfs/dbraw/zinc/43/84/20/1000438420.db2.gz IJLLBYMOTJZSQI-FHLIZLRMSA-N 1 2 363.889 2.950 20 30 FFEDLO NC(=O)c1ccc(C(=[NH2+])Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC001171256042 1000476091 /nfs/dbraw/zinc/47/60/91/1000476091.db2.gz DFVJEEHNZAXTOL-UHFFFAOYSA-N 1 2 352.272 2.750 20 30 FFEDLO C#C[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C1 ZINC000847033910 1000525731 /nfs/dbraw/zinc/52/57/31/1000525731.db2.gz QKHAYNDFYUTPIV-DOTOQJQBSA-N 1 2 351.406 2.896 20 30 FFEDLO C#C[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C1 ZINC000847033910 1000525734 /nfs/dbraw/zinc/52/57/34/1000525734.db2.gz QKHAYNDFYUTPIV-DOTOQJQBSA-N 1 2 351.406 2.896 20 30 FFEDLO COCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2cccc(Cl)c2)CC1 ZINC001109519070 1000597236 /nfs/dbraw/zinc/59/72/36/1000597236.db2.gz OFZHXSJMXJFIDW-QYZOEREBSA-N 1 2 372.896 2.840 20 30 FFEDLO COCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2cccc(Cl)c2)CC1 ZINC001109519070 1000597244 /nfs/dbraw/zinc/59/72/44/1000597244.db2.gz OFZHXSJMXJFIDW-QYZOEREBSA-N 1 2 372.896 2.840 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N1C[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@@]2(C)C1 ZINC001091548320 1000644082 /nfs/dbraw/zinc/64/40/82/1000644082.db2.gz PRGHMZWJNXBVRK-IERDGZPVSA-N 1 2 371.456 2.593 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N1C[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@@]2(C)C1 ZINC001091548320 1000644083 /nfs/dbraw/zinc/64/40/83/1000644083.db2.gz PRGHMZWJNXBVRK-IERDGZPVSA-N 1 2 371.456 2.593 20 30 FFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 ZINC000769977254 1000646087 /nfs/dbraw/zinc/64/60/87/1000646087.db2.gz BVVZUQVGDVHFAI-CQSZACIVSA-N 1 2 364.449 2.866 20 30 FFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 ZINC000769977254 1000646090 /nfs/dbraw/zinc/64/60/90/1000646090.db2.gz BVVZUQVGDVHFAI-CQSZACIVSA-N 1 2 364.449 2.866 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)[C@H](CCCC)N(C)C(=O)OC(C)(C)C)CC1 ZINC001146334692 1000652012 /nfs/dbraw/zinc/65/20/12/1000652012.db2.gz TVSZBAZRTLNUGU-INIZCTEOSA-N 1 2 353.507 2.742 20 30 FFEDLO CCC[C@@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001109592312 1000689290 /nfs/dbraw/zinc/68/92/90/1000689290.db2.gz OLSKKDKUPONBCD-FUMNGEBKSA-N 1 2 358.457 2.714 20 30 FFEDLO CCC[C@@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001109592312 1000689294 /nfs/dbraw/zinc/68/92/94/1000689294.db2.gz OLSKKDKUPONBCD-FUMNGEBKSA-N 1 2 358.457 2.714 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nn(C)c1Cl ZINC001109601965 1000696265 /nfs/dbraw/zinc/69/62/65/1000696265.db2.gz WJSCCXNMNQMBPO-SNPRPXQTSA-N 1 2 350.894 2.816 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nn(C)c1Cl ZINC001109601965 1000696267 /nfs/dbraw/zinc/69/62/67/1000696267.db2.gz WJSCCXNMNQMBPO-SNPRPXQTSA-N 1 2 350.894 2.816 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1ccco1 ZINC001109597385 1000703284 /nfs/dbraw/zinc/70/32/84/1000703284.db2.gz KBRBFTOPDRBXPZ-NJAFHUGGSA-N 1 2 373.497 2.562 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1ccco1 ZINC001109597385 1000703290 /nfs/dbraw/zinc/70/32/90/1000703290.db2.gz KBRBFTOPDRBXPZ-NJAFHUGGSA-N 1 2 373.497 2.562 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)N(C)c1ccccc1 ZINC001109605466 1000715557 /nfs/dbraw/zinc/71/55/57/1000715557.db2.gz CUOYJOOQNPNMSA-YSHGAJCASA-N 1 2 369.509 2.972 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)N(C)c1ccccc1 ZINC001109605466 1000715561 /nfs/dbraw/zinc/71/55/61/1000715561.db2.gz CUOYJOOQNPNMSA-YSHGAJCASA-N 1 2 369.509 2.972 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1)C(C)C ZINC001109675687 1000817074 /nfs/dbraw/zinc/81/70/74/1000817074.db2.gz DEPIKVHSSOZODE-XGXHKWSGSA-N 1 2 359.445 2.590 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1)C(C)C ZINC001109675687 1000817079 /nfs/dbraw/zinc/81/70/79/1000817079.db2.gz DEPIKVHSSOZODE-XGXHKWSGSA-N 1 2 359.445 2.590 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CCc3onc(Cn4cc[nH+]c4)c3C2)cc1 ZINC001148459017 1001146093 /nfs/dbraw/zinc/14/60/93/1001146093.db2.gz KPLWOPLCVZIRNG-UHFFFAOYSA-N 1 2 364.405 2.683 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001109997331 1001261677 /nfs/dbraw/zinc/26/16/77/1001261677.db2.gz JQBGMDVQPUZEJO-KURKYZTESA-N 1 2 370.497 2.950 20 30 FFEDLO COc1ccc(C#N)cc1COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000772276444 1001357393 /nfs/dbraw/zinc/35/73/93/1001357393.db2.gz MZVXMTREJIZQEI-FQEVSTJZSA-N 1 2 366.417 2.511 20 30 FFEDLO COc1ccc(C#N)cc1COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000772276444 1001357397 /nfs/dbraw/zinc/35/73/97/1001357397.db2.gz MZVXMTREJIZQEI-FQEVSTJZSA-N 1 2 366.417 2.511 20 30 FFEDLO CCCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#CCOC)sc1C ZINC001110072479 1001432085 /nfs/dbraw/zinc/43/20/85/1001432085.db2.gz UKKMPWUNRKKDOU-SQNIBIBYSA-N 1 2 360.523 2.994 20 30 FFEDLO CCCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#CCOC)sc1C ZINC001110072479 1001432088 /nfs/dbraw/zinc/43/20/88/1001432088.db2.gz UKKMPWUNRKKDOU-SQNIBIBYSA-N 1 2 360.523 2.994 20 30 FFEDLO C=C[C@](C)(CC)C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000785761486 1001480217 /nfs/dbraw/zinc/48/02/17/1001480217.db2.gz IZWVUGQYMUTMBL-HXUWFJFHSA-N 1 2 360.454 2.603 20 30 FFEDLO C=C[C@H]1CCCC[N@H+]1CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000785997494 1001515368 /nfs/dbraw/zinc/51/53/68/1001515368.db2.gz PTZWNVSZYCXTOC-LPHOPBHVSA-N 1 2 369.465 2.898 20 30 FFEDLO C=C[C@H]1CCCC[N@@H+]1CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000785997494 1001515371 /nfs/dbraw/zinc/51/53/71/1001515371.db2.gz PTZWNVSZYCXTOC-LPHOPBHVSA-N 1 2 369.465 2.898 20 30 FFEDLO C=C[C@H]1CCCC[N@H+]1CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000785997496 1001515394 /nfs/dbraw/zinc/51/53/94/1001515394.db2.gz PTZWNVSZYCXTOC-QFBILLFUSA-N 1 2 369.465 2.898 20 30 FFEDLO C=C[C@H]1CCCC[N@@H+]1CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000785997496 1001515400 /nfs/dbraw/zinc/51/54/00/1001515400.db2.gz PTZWNVSZYCXTOC-QFBILLFUSA-N 1 2 369.465 2.898 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(C)CCSCC2)cc1C#N ZINC001276202154 1016530672 /nfs/dbraw/zinc/53/06/72/1016530672.db2.gz XBFCQBBXXHHNJJ-CALCHBBNSA-N 1 2 372.538 2.605 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(C)CCSCC2)cc1C#N ZINC001276202154 1016530681 /nfs/dbraw/zinc/53/06/81/1016530681.db2.gz XBFCQBBXXHHNJJ-CALCHBBNSA-N 1 2 372.538 2.605 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)on1 ZINC001096775791 1016533570 /nfs/dbraw/zinc/53/35/70/1016533570.db2.gz BUMRFWAWCHWZHT-OIISXLGYSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)on1 ZINC001096775791 1016533587 /nfs/dbraw/zinc/53/35/87/1016533587.db2.gz BUMRFWAWCHWZHT-OIISXLGYSA-N 1 2 354.385 2.529 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cncnc2C)C1 ZINC001086576178 1002123206 /nfs/dbraw/zinc/12/32/06/1002123206.db2.gz CBZBQHMODYMPCG-ZWKOTPCHSA-N 1 2 356.857 2.735 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cncnc2C)C1 ZINC001086576178 1002123210 /nfs/dbraw/zinc/12/32/10/1002123210.db2.gz CBZBQHMODYMPCG-ZWKOTPCHSA-N 1 2 356.857 2.735 20 30 FFEDLO C[C@@H]1CC[C@H](CO)CN1C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183828272 1002399662 /nfs/dbraw/zinc/39/96/62/1002399662.db2.gz FFNIUKOZUHLSPS-UWVAXJGDSA-N 1 2 355.482 2.532 20 30 FFEDLO C[C@@H]1CC[C@H](CO)CN1C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183828272 1002399674 /nfs/dbraw/zinc/39/96/74/1002399674.db2.gz FFNIUKOZUHLSPS-UWVAXJGDSA-N 1 2 355.482 2.532 20 30 FFEDLO CCN=c1ccc(N)cn1C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183828819 1002402151 /nfs/dbraw/zinc/40/21/51/1002402151.db2.gz NDLGPIHLDNCOGJ-LJQANCHMSA-N 1 2 363.465 2.557 20 30 FFEDLO CCN=c1ccc(N)cn1C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183828819 1002402157 /nfs/dbraw/zinc/40/21/57/1002402157.db2.gz NDLGPIHLDNCOGJ-LJQANCHMSA-N 1 2 363.465 2.557 20 30 FFEDLO C=C(CC(=O)OCCCC)C(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001184309801 1002554986 /nfs/dbraw/zinc/55/49/86/1002554986.db2.gz AGPDKMUKZYCULZ-OAHLLOKOSA-N 1 2 358.429 2.608 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+](C/C(Cl)=C\Cl)C[C@@]3(C)C2)cn1 ZINC001092211414 1002559669 /nfs/dbraw/zinc/55/96/69/1002559669.db2.gz FUEJCNHEDHYFET-NIDSHBGKSA-N 1 2 364.276 2.776 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](C/C(Cl)=C\Cl)C[C@@]3(C)C2)cn1 ZINC001092211414 1002559674 /nfs/dbraw/zinc/55/96/74/1002559674.db2.gz FUEJCNHEDHYFET-NIDSHBGKSA-N 1 2 364.276 2.776 20 30 FFEDLO CCCCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ncccc2C#N)C1 ZINC001092312266 1002657212 /nfs/dbraw/zinc/65/72/12/1002657212.db2.gz GPTGDLHRXDVWAR-IAGOWNOFSA-N 1 2 366.469 2.674 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2O)C3)c1 ZINC001096823200 1016652594 /nfs/dbraw/zinc/65/25/94/1016652594.db2.gz ITXOAQPCNGLJKR-LZQZEXGQSA-N 1 2 365.408 2.938 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2O)C3)c1 ZINC001096823200 1016652601 /nfs/dbraw/zinc/65/26/01/1016652601.db2.gz ITXOAQPCNGLJKR-LZQZEXGQSA-N 1 2 365.408 2.938 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]nc(C3CC3)c2Cl)C1 ZINC001086597694 1002666152 /nfs/dbraw/zinc/66/61/52/1002666152.db2.gz UETLGAVEOPLTLP-JKSUJKDBSA-N 1 2 368.868 2.772 20 30 FFEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]nc(C3CC3)c2Cl)C1 ZINC001086597694 1002666161 /nfs/dbraw/zinc/66/61/61/1002666161.db2.gz UETLGAVEOPLTLP-JKSUJKDBSA-N 1 2 368.868 2.772 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2O)C3)s1 ZINC001096823426 1016655950 /nfs/dbraw/zinc/65/59/50/1016655950.db2.gz JYWIMJIILKHBIX-JLZZUVOBSA-N 1 2 353.447 2.861 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2O)C3)s1 ZINC001096823426 1016655956 /nfs/dbraw/zinc/65/59/56/1016655956.db2.gz JYWIMJIILKHBIX-JLZZUVOBSA-N 1 2 353.447 2.861 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110352260 1002692317 /nfs/dbraw/zinc/69/23/17/1002692317.db2.gz YYIZCXKBSOPDJI-GVXRKXQCSA-N 1 2 373.472 2.980 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110352260 1002692323 /nfs/dbraw/zinc/69/23/23/1002692323.db2.gz YYIZCXKBSOPDJI-GVXRKXQCSA-N 1 2 373.472 2.980 20 30 FFEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1CCOC(=O)CCc1ccc(C#N)cc1 ZINC000774774851 1002699746 /nfs/dbraw/zinc/69/97/46/1002699746.db2.gz GFFVUAWHSCWNII-GOSISDBHSA-N 1 2 372.465 2.840 20 30 FFEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CCOC(=O)CCc1ccc(C#N)cc1 ZINC000774774851 1002699751 /nfs/dbraw/zinc/69/97/51/1002699751.db2.gz GFFVUAWHSCWNII-GOSISDBHSA-N 1 2 372.465 2.840 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1=CC[N@H+](Cc2ncc(C)o2)CC1 ZINC001001244082 1016714998 /nfs/dbraw/zinc/71/49/98/1016714998.db2.gz CZGBGHKGPVLQJT-HKUYNNGSSA-N 1 2 359.470 2.603 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1=CC[N@@H+](Cc2ncc(C)o2)CC1 ZINC001001244082 1016715016 /nfs/dbraw/zinc/71/50/16/1016715016.db2.gz CZGBGHKGPVLQJT-HKUYNNGSSA-N 1 2 359.470 2.603 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc2c(c1)CCC2 ZINC001110371408 1003098236 /nfs/dbraw/zinc/09/82/36/1003098236.db2.gz LZNFBLSIEIDNAO-AQNXPRMDSA-N 1 2 367.493 2.802 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc2c(c1)CCC2 ZINC001110371408 1003098247 /nfs/dbraw/zinc/09/82/47/1003098247.db2.gz LZNFBLSIEIDNAO-AQNXPRMDSA-N 1 2 367.493 2.802 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccncc2F)C3)s1 ZINC001096908763 1016723822 /nfs/dbraw/zinc/72/38/22/1016723822.db2.gz ZZHBEEHNEXHHQD-LQAWEQHXSA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccncc2F)C3)s1 ZINC001096908763 1016723834 /nfs/dbraw/zinc/72/38/34/1016723834.db2.gz ZZHBEEHNEXHHQD-LQAWEQHXSA-N 1 2 356.426 2.689 20 30 FFEDLO CC(C)(C)OC(=O)[C@H](CC(N)=O)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170361729 1003124502 /nfs/dbraw/zinc/12/45/02/1003124502.db2.gz CASPFNOXCAYLCG-BATSVXPKSA-N 1 2 371.481 2.566 20 30 FFEDLO Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)c1 ZINC001096913069 1016729295 /nfs/dbraw/zinc/72/92/95/1016729295.db2.gz XFQRSRMJHLBTQW-RLLQIKCJSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)c1 ZINC001096913069 1016729309 /nfs/dbraw/zinc/72/93/09/1016729309.db2.gz XFQRSRMJHLBTQW-RLLQIKCJSA-N 1 2 364.424 2.936 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cc(C)cc(C)c1 ZINC001110377844 1003247159 /nfs/dbraw/zinc/24/71/59/1003247159.db2.gz WQAQFMGZRRDLJV-QRVBRYPASA-N 1 2 355.482 2.930 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cc(C)cc(C)c1 ZINC001110377844 1003247162 /nfs/dbraw/zinc/24/71/62/1003247162.db2.gz WQAQFMGZRRDLJV-QRVBRYPASA-N 1 2 355.482 2.930 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2[nH+]cnc3c2cnn3C)C1 ZINC001092625913 1003331531 /nfs/dbraw/zinc/33/15/31/1003331531.db2.gz FNMVOBKLWDPNGD-ARFHVFGLSA-N 1 2 370.501 2.862 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn(CC)n2)C1 ZINC001086613372 1003363246 /nfs/dbraw/zinc/36/32/46/1003363246.db2.gz QKTBZBHLCLTRQE-FUHWJXTLSA-N 1 2 358.873 2.853 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn(CC)n2)C1 ZINC001086613372 1003363254 /nfs/dbraw/zinc/36/32/54/1003363254.db2.gz QKTBZBHLCLTRQE-FUHWJXTLSA-N 1 2 358.873 2.853 20 30 FFEDLO CC(C)(C)C[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793607468 1003440138 /nfs/dbraw/zinc/44/01/38/1003440138.db2.gz QGDVJYBVXFOUPO-DLBZAZTESA-N 1 2 356.470 2.649 20 30 FFEDLO CC(C)(C)C[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793607468 1003440145 /nfs/dbraw/zinc/44/01/45/1003440145.db2.gz QGDVJYBVXFOUPO-DLBZAZTESA-N 1 2 356.470 2.649 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1cc(F)ccc1F ZINC001110385181 1003444909 /nfs/dbraw/zinc/44/49/09/1003444909.db2.gz PAVRCHVRLGHVTM-GGBBIFEXSA-N 1 2 350.409 2.950 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1cc(F)ccc1F ZINC001110385181 1003444918 /nfs/dbraw/zinc/44/49/18/1003444918.db2.gz PAVRCHVRLGHVTM-GGBBIFEXSA-N 1 2 350.409 2.950 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1)n1cccc1 ZINC001096959462 1016771843 /nfs/dbraw/zinc/77/18/43/1016771843.db2.gz REPLNVZCNVGPLR-JRJVTICQSA-N 1 2 366.440 2.982 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1)n1cccc1 ZINC001096959462 1016771846 /nfs/dbraw/zinc/77/18/46/1016771846.db2.gz REPLNVZCNVGPLR-JRJVTICQSA-N 1 2 366.440 2.982 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)[C@@H]1CCCCO1 ZINC001096964721 1016780202 /nfs/dbraw/zinc/78/02/02/1016780202.db2.gz YIVWZGKGGLAWGR-ZRNYENFQSA-N 1 2 372.896 2.982 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)[C@@H]1CCCCO1 ZINC001096964721 1016780218 /nfs/dbraw/zinc/78/02/18/1016780218.db2.gz YIVWZGKGGLAWGR-ZRNYENFQSA-N 1 2 372.896 2.982 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]cnc2CC)C1 ZINC001086621916 1003606218 /nfs/dbraw/zinc/60/62/18/1003606218.db2.gz VQAHGJFALKKLJL-DOTOQJQBSA-N 1 2 358.873 2.922 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]cnc2CC)C1 ZINC001086621916 1003606223 /nfs/dbraw/zinc/60/62/23/1003606223.db2.gz VQAHGJFALKKLJL-DOTOQJQBSA-N 1 2 358.873 2.922 20 30 FFEDLO CC(C)=CCC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001196346285 1003748389 /nfs/dbraw/zinc/74/83/89/1003748389.db2.gz WWHJSXSOFVHFCI-DUXKGJEZSA-N 1 2 369.509 2.992 20 30 FFEDLO CC(C)=CCC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001196346285 1003748395 /nfs/dbraw/zinc/74/83/95/1003748395.db2.gz WWHJSXSOFVHFCI-DUXKGJEZSA-N 1 2 369.509 2.992 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O)CC(C)(C)C ZINC001196391672 1003759262 /nfs/dbraw/zinc/75/92/62/1003759262.db2.gz GTKGJDSXPRESTJ-KBRIMQKVSA-N 1 2 363.527 2.743 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O)CC(C)(C)C ZINC001196391672 1003759268 /nfs/dbraw/zinc/75/92/68/1003759268.db2.gz GTKGJDSXPRESTJ-KBRIMQKVSA-N 1 2 363.527 2.743 20 30 FFEDLO COc1ccc2c(c1)C[C@@H](C[N@@H+]1CCO[C@@H](c3cccc(C#N)c3)C1)O2 ZINC001192975560 1004345860 /nfs/dbraw/zinc/34/58/60/1004345860.db2.gz FWRYPBVFAPJLRC-PZJWPPBQSA-N 1 2 350.418 2.944 20 30 FFEDLO COc1ccc2c(c1)C[C@@H](C[N@H+]1CCO[C@@H](c3cccc(C#N)c3)C1)O2 ZINC001192975560 1004345865 /nfs/dbraw/zinc/34/58/65/1004345865.db2.gz FWRYPBVFAPJLRC-PZJWPPBQSA-N 1 2 350.418 2.944 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C3)c(F)c1 ZINC001097028319 1016909939 /nfs/dbraw/zinc/90/99/39/1016909939.db2.gz VUQNQEUYWKVFQQ-PYOKUCOHSA-N 1 2 363.383 2.820 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C3)c(F)c1 ZINC001097028319 1016909951 /nfs/dbraw/zinc/90/99/51/1016909951.db2.gz VUQNQEUYWKVFQQ-PYOKUCOHSA-N 1 2 363.383 2.820 20 30 FFEDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110531819 1004929956 /nfs/dbraw/zinc/92/99/56/1004929956.db2.gz OOTFYWLMGXQCPU-OWYHZJEWSA-N 1 2 373.541 2.595 20 30 FFEDLO C[C@H](C(=O)NC1CCCCC1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110531819 1004929960 /nfs/dbraw/zinc/92/99/60/1004929960.db2.gz OOTFYWLMGXQCPU-OWYHZJEWSA-N 1 2 373.541 2.595 20 30 FFEDLO Cc1oc(-c2ccco2)nc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110540486 1005005906 /nfs/dbraw/zinc/00/59/06/1005005906.db2.gz UYLXNPPJTAGKJU-NUJGCVRESA-N 1 2 365.433 2.878 20 30 FFEDLO Cc1oc(-c2ccco2)nc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110540486 1005005910 /nfs/dbraw/zinc/00/59/10/1005005910.db2.gz UYLXNPPJTAGKJU-NUJGCVRESA-N 1 2 365.433 2.878 20 30 FFEDLO C=CC1(CC(=O)NCC(C)(C)n2cc[nH+]c2)CN(C(=O)OC(C)(C)C)C1 ZINC000825531236 1005092140 /nfs/dbraw/zinc/09/21/40/1005092140.db2.gz JEMDTRSBWJACEV-UHFFFAOYSA-N 1 2 362.474 2.548 20 30 FFEDLO CCCC[C@@H](CNc1ncccc1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001114314078 1005126826 /nfs/dbraw/zinc/12/68/26/1005126826.db2.gz PRKTVPWDDDPFJW-GVDBMIGSSA-N 1 2 366.469 2.577 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@]12CCC[C@H]1N(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001488231440 1005132529 /nfs/dbraw/zinc/13/25/29/1005132529.db2.gz UTGZUAKFSUOHAK-BONWFUQQSA-N 1 2 370.497 2.755 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@]12CCC[C@H]1N(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001488231440 1005132533 /nfs/dbraw/zinc/13/25/33/1005132533.db2.gz UTGZUAKFSUOHAK-BONWFUQQSA-N 1 2 370.497 2.755 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001098019817 1016946137 /nfs/dbraw/zinc/94/61/37/1016946137.db2.gz OIOBGYNUZBOGBL-OCABDXPQSA-N 1 2 361.511 2.654 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001098019817 1016946149 /nfs/dbraw/zinc/94/61/49/1016946149.db2.gz OIOBGYNUZBOGBL-OCABDXPQSA-N 1 2 361.511 2.654 20 30 FFEDLO CCc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095671456 1016961464 /nfs/dbraw/zinc/96/14/64/1016961464.db2.gz RNBFYHAXTOHGKA-CCKFTAQKSA-N 1 2 367.428 2.518 20 30 FFEDLO CCc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095671456 1016961476 /nfs/dbraw/zinc/96/14/76/1016961476.db2.gz RNBFYHAXTOHGKA-CCKFTAQKSA-N 1 2 367.428 2.518 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nnn1CC ZINC001110596760 1005406237 /nfs/dbraw/zinc/40/62/37/1005406237.db2.gz WCLRPNXIGJOZAU-KFWWJZLASA-N 1 2 365.909 2.607 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nnn1CC ZINC001110596760 1005406238 /nfs/dbraw/zinc/40/62/38/1005406238.db2.gz WCLRPNXIGJOZAU-KFWWJZLASA-N 1 2 365.909 2.607 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001489454813 1005478491 /nfs/dbraw/zinc/47/84/91/1005478491.db2.gz ABHUGVUGRQXVHG-RHSMWYFYSA-N 1 2 368.481 2.822 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nn(C)c1Cl ZINC001110607360 1005553450 /nfs/dbraw/zinc/55/34/50/1005553450.db2.gz QJUOGSJLXJMRSV-BMFZPTHFSA-N 1 2 350.894 2.960 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nn(C)c1Cl ZINC001110607360 1005553453 /nfs/dbraw/zinc/55/34/53/1005553453.db2.gz QJUOGSJLXJMRSV-BMFZPTHFSA-N 1 2 350.894 2.960 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCn2cc[nH+]c2)CCCC1 ZINC001490652497 1005754649 /nfs/dbraw/zinc/75/46/49/1005754649.db2.gz UCMHDZRFOXXDBI-SQNIBIBYSA-N 1 2 370.497 2.658 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(Cl)n3)C[C@H]21 ZINC001187217707 1005984697 /nfs/dbraw/zinc/98/46/97/1005984697.db2.gz UJUPBNJQRQWBRD-HLLBOEOZSA-N 1 2 363.889 2.749 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(Cl)n3)C[C@H]21 ZINC001187217707 1005984704 /nfs/dbraw/zinc/98/47/04/1005984704.db2.gz UJUPBNJQRQWBRD-HLLBOEOZSA-N 1 2 363.889 2.749 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000776595796 1006038498 /nfs/dbraw/zinc/03/84/98/1006038498.db2.gz ASEMAHZGLSKWGT-OALUTQOASA-N 1 2 353.378 2.573 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000776595796 1006038513 /nfs/dbraw/zinc/03/85/13/1006038513.db2.gz ASEMAHZGLSKWGT-OALUTQOASA-N 1 2 353.378 2.573 20 30 FFEDLO N#C[C@H](C(=O)C[N@H+]1CCC[C@@H](CCF)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000852533910 1006069917 /nfs/dbraw/zinc/06/99/17/1006069917.db2.gz ZTSYMBKODNBCGA-DZGCQCFKSA-N 1 2 356.401 2.583 20 30 FFEDLO N#C[C@H](C(=O)C[N@@H+]1CCC[C@@H](CCF)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000852533910 1006069927 /nfs/dbraw/zinc/06/99/27/1006069927.db2.gz ZTSYMBKODNBCGA-DZGCQCFKSA-N 1 2 356.401 2.583 20 30 FFEDLO C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001187472552 1006100163 /nfs/dbraw/zinc/10/01/63/1006100163.db2.gz JOMHNTFHYUDLAE-DOTOQJQBSA-N 1 2 363.527 2.721 20 30 FFEDLO C=CCOCCCC(=O)N1CC[C@H]2C[N@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001187472552 1006100171 /nfs/dbraw/zinc/10/01/71/1006100171.db2.gz JOMHNTFHYUDLAE-DOTOQJQBSA-N 1 2 363.527 2.721 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852735236 1006162210 /nfs/dbraw/zinc/16/22/10/1006162210.db2.gz KANNGGYAMUMHJD-BZUAXINKSA-N 1 2 371.497 2.737 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852735236 1006162213 /nfs/dbraw/zinc/16/22/13/1006162213.db2.gz KANNGGYAMUMHJD-BZUAXINKSA-N 1 2 371.497 2.737 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(-c4ccccc4)n3)C[C@H]21 ZINC001187706445 1006207864 /nfs/dbraw/zinc/20/78/64/1006207864.db2.gz JNBAMBFVXCVJIG-GHTZIAJQSA-N 1 2 362.477 2.709 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(-c4ccccc4)n3)C[C@H]21 ZINC001187706445 1006207875 /nfs/dbraw/zinc/20/78/75/1006207875.db2.gz JNBAMBFVXCVJIG-GHTZIAJQSA-N 1 2 362.477 2.709 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nnc(CC(C)C)o3)C[C@H]21 ZINC001187706457 1006207949 /nfs/dbraw/zinc/20/79/49/1006207949.db2.gz JUURQVYEYYGHNI-YESZJQIVSA-N 1 2 358.486 2.665 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3nnc(CC(C)C)o3)C[C@H]21 ZINC001187706457 1006207962 /nfs/dbraw/zinc/20/79/62/1006207962.db2.gz JUURQVYEYYGHNI-YESZJQIVSA-N 1 2 358.486 2.665 20 30 FFEDLO CCO[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21)C1CC1 ZINC001187938633 1006330200 /nfs/dbraw/zinc/33/02/00/1006330200.db2.gz RRDCSTBVFHNIBM-DBVUQKKJSA-N 1 2 371.456 2.545 20 30 FFEDLO CCO[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21)C1CC1 ZINC001187938633 1006330214 /nfs/dbraw/zinc/33/02/14/1006330214.db2.gz RRDCSTBVFHNIBM-DBVUQKKJSA-N 1 2 371.456 2.545 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(C)n3C3CC3)C[C@H]21 ZINC001188012686 1006378346 /nfs/dbraw/zinc/37/83/46/1006378346.db2.gz OTOJFVUXFBKMDK-PKOBYXMFSA-N 1 2 369.513 2.723 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@H+](Cc3nnc(C)n3C3CC3)C[C@H]21 ZINC001188012686 1006378352 /nfs/dbraw/zinc/37/83/52/1006378352.db2.gz OTOJFVUXFBKMDK-PKOBYXMFSA-N 1 2 369.513 2.723 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000747967619 1006388031 /nfs/dbraw/zinc/38/80/31/1006388031.db2.gz HRONNMNTEHODJB-LPHOPBHVSA-N 1 2 356.514 2.822 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000747967619 1006388043 /nfs/dbraw/zinc/38/80/43/1006388043.db2.gz HRONNMNTEHODJB-LPHOPBHVSA-N 1 2 356.514 2.822 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CCC(C)(F)F)[C@@H]2C1 ZINC001188376364 1006536569 /nfs/dbraw/zinc/53/65/69/1006536569.db2.gz SUPXAFJPHCYRNL-NWDGAFQWSA-N 1 2 351.235 2.863 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC(C)(F)F)[C@@H]2C1 ZINC001188376364 1006536577 /nfs/dbraw/zinc/53/65/77/1006536577.db2.gz SUPXAFJPHCYRNL-NWDGAFQWSA-N 1 2 351.235 2.863 20 30 FFEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CC[C@@](C)(C#N)C3)CC2)cc1 ZINC000853791575 1006538053 /nfs/dbraw/zinc/53/80/53/1006538053.db2.gz UFUXLOKIGDWUKH-FQEVSTJZSA-N 1 2 355.486 2.667 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nncn3-c3ccccc3)C[C@H]21 ZINC001189006840 1006845636 /nfs/dbraw/zinc/84/56/36/1006845636.db2.gz JPZLPDWUYYBLHV-PKOBYXMFSA-N 1 2 365.481 2.656 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nncn3-c3ccccc3)C[C@H]21 ZINC001189006840 1006845649 /nfs/dbraw/zinc/84/56/49/1006845649.db2.gz JPZLPDWUYYBLHV-PKOBYXMFSA-N 1 2 365.481 2.656 20 30 FFEDLO N#CCc1ccccc1CC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000776748433 1006875885 /nfs/dbraw/zinc/87/58/85/1006875885.db2.gz IJAXKGSPHOXSLG-UHFFFAOYSA-N 1 2 363.461 2.518 20 30 FFEDLO Cc1cc(C#N)ccc1CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000776746728 1006875965 /nfs/dbraw/zinc/87/59/65/1006875965.db2.gz XPVSEBYOTVGYTG-UHFFFAOYSA-N 1 2 364.449 2.536 20 30 FFEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000855496427 1007373226 /nfs/dbraw/zinc/37/32/26/1007373226.db2.gz LRBZXWJZBQBEDT-QGZVFWFLSA-N 1 2 367.449 2.735 20 30 FFEDLO COc1ccc(F)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C2 ZINC001095329246 1007428931 /nfs/dbraw/zinc/42/89/31/1007428931.db2.gz CEWJGMMMXOWRCQ-NJAFHUGGSA-N 1 2 368.412 2.569 20 30 FFEDLO COc1ccc(F)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C2 ZINC001095329246 1007428934 /nfs/dbraw/zinc/42/89/34/1007428934.db2.gz CEWJGMMMXOWRCQ-NJAFHUGGSA-N 1 2 368.412 2.569 20 30 FFEDLO CC[C@@H]1C[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CCO1 ZINC000817708233 1007712739 /nfs/dbraw/zinc/71/27/39/1007712739.db2.gz VVBYCMFKPPASMM-UONOGXRCSA-N 1 2 354.454 2.604 20 30 FFEDLO CCN1CC[NH+](Cc2ccc(C(=O)N[C@@](C)(C#N)CC(C)C)cc2)CC1 ZINC001190870345 1007819616 /nfs/dbraw/zinc/81/96/16/1007819616.db2.gz NUGDAJBOXHHYFI-OAQYLSRUSA-N 1 2 356.514 2.882 20 30 FFEDLO C#Cc1ccccc1C(=O)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001191107541 1007892883 /nfs/dbraw/zinc/89/28/83/1007892883.db2.gz RNITYGUULOFDNL-KRWDZBQOSA-N 1 2 372.428 2.611 20 30 FFEDLO CC(C)(C)OC(=O)NCC[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)C(F)F ZINC000819342622 1008102465 /nfs/dbraw/zinc/10/24/65/1008102465.db2.gz AACZEEBUNDGHCN-GJZGRUSLSA-N 1 2 369.412 2.730 20 30 FFEDLO C#C[C@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CCOCC1 ZINC000820973175 1008397973 /nfs/dbraw/zinc/39/79/73/1008397973.db2.gz GRRXEQAIXRGAFS-KRWDZBQOSA-N 1 2 368.437 2.512 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccccc3OC)no2)C[C@H]1C ZINC001206509182 1032319776 /nfs/dbraw/zinc/31/97/76/1032319776.db2.gz FCWSHTAXNRJOCD-GDBMZVCRSA-N 1 2 370.453 2.648 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3OC)no2)C[C@H]1C ZINC001206509182 1032319784 /nfs/dbraw/zinc/31/97/84/1032319784.db2.gz FCWSHTAXNRJOCD-GDBMZVCRSA-N 1 2 370.453 2.648 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000859025596 1008466500 /nfs/dbraw/zinc/46/65/00/1008466500.db2.gz VSZOWGFETLKCGM-UYAOXDASSA-N 1 2 368.481 2.969 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(-c3ccccc3F)n2)C[C@H]1C ZINC001206537241 1032333445 /nfs/dbraw/zinc/33/34/45/1032333445.db2.gz NIOYULZTBYLOCW-CRAIPNDOSA-N 1 2 356.445 2.914 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(-c3ccccc3F)n2)C[C@H]1C ZINC001206537241 1032333449 /nfs/dbraw/zinc/33/34/49/1032333449.db2.gz NIOYULZTBYLOCW-CRAIPNDOSA-N 1 2 356.445 2.914 20 30 FFEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170987160 1008631656 /nfs/dbraw/zinc/63/16/56/1008631656.db2.gz ZZFIIAVJDORZND-XLIONFOSSA-N 1 2 352.409 2.929 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C[C@H]1C ZINC001206537136 1032333753 /nfs/dbraw/zinc/33/37/53/1032333753.db2.gz JFXGQDYMPCMNPZ-JKIFEVAISA-N 1 2 354.454 2.799 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C[C@H]1C ZINC001206537136 1032333766 /nfs/dbraw/zinc/33/37/66/1032333766.db2.gz JFXGQDYMPCMNPZ-JKIFEVAISA-N 1 2 354.454 2.799 20 30 FFEDLO C#CC[N@H+](Cc1ccncc1C#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426250 1008675471 /nfs/dbraw/zinc/67/54/71/1008675471.db2.gz PAEXPTJOZVMOQG-UHFFFAOYSA-N 1 2 354.454 2.788 20 30 FFEDLO C#CC[N@@H+](Cc1ccncc1C#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426250 1008675479 /nfs/dbraw/zinc/67/54/79/1008675479.db2.gz PAEXPTJOZVMOQG-UHFFFAOYSA-N 1 2 354.454 2.788 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC([C@H](O)c3cccc(OC)c3)CC2)nn1 ZINC000860133316 1008852194 /nfs/dbraw/zinc/85/21/94/1008852194.db2.gz PGCQQODTJPETKY-FQEVSTJZSA-N 1 2 356.470 2.808 20 30 FFEDLO Cc1nc(N[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2ccccc2F)cc[nH+]1 ZINC001090644848 1008860463 /nfs/dbraw/zinc/86/04/63/1008860463.db2.gz DINMIOCCICQHIL-PKOBYXMFSA-N 1 2 366.440 2.990 20 30 FFEDLO C=CCC1(O)CC[NH+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)CC1 ZINC000886755167 1008860857 /nfs/dbraw/zinc/86/08/57/1008860857.db2.gz AABRBBLSQAIJMA-UHFFFAOYSA-N 1 2 370.415 2.981 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)co1 ZINC001095349598 1008869387 /nfs/dbraw/zinc/86/93/87/1008869387.db2.gz AMWONDAEKVEEDB-HFTRVMKXSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)co1 ZINC001095349598 1008869395 /nfs/dbraw/zinc/86/93/95/1008869395.db2.gz AMWONDAEKVEEDB-HFTRVMKXSA-N 1 2 354.385 2.529 20 30 FFEDLO O=C(C#Cc1ccc(F)cc1F)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001178568568 1009045558 /nfs/dbraw/zinc/04/55/58/1009045558.db2.gz HLKNXSGYHPKCQX-HXUWFJFHSA-N 1 2 352.384 2.758 20 30 FFEDLO O=C(C#Cc1ccc(F)cc1F)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001178568568 1009045571 /nfs/dbraw/zinc/04/55/71/1009045571.db2.gz HLKNXSGYHPKCQX-HXUWFJFHSA-N 1 2 352.384 2.758 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3sccc3CC#N)C2)c1 ZINC000826570201 1009189093 /nfs/dbraw/zinc/18/90/93/1009189093.db2.gz YBUDIKGBGZKVNQ-GOSISDBHSA-N 1 2 369.490 2.753 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3sccc3CC#N)C2)c1 ZINC000826570201 1009189097 /nfs/dbraw/zinc/18/90/97/1009189097.db2.gz YBUDIKGBGZKVNQ-GOSISDBHSA-N 1 2 369.490 2.753 20 30 FFEDLO N#Cc1ccc([C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CCO2)cc1 ZINC001179404189 1009324466 /nfs/dbraw/zinc/32/44/66/1009324466.db2.gz BBGHHGYTTMGZRZ-HXUWFJFHSA-N 1 2 358.401 2.958 20 30 FFEDLO N#CCN1CC[NH+](Cc2c(-c3ccc(F)cc3)nc3ccc(F)cn32)CC1 ZINC001179868927 1009484001 /nfs/dbraw/zinc/48/40/01/1009484001.db2.gz LCSAQBGQHJYEBY-UHFFFAOYSA-N 1 2 367.403 2.921 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3C[C@@H](c4ccccc4)OC3=O)C2)nc1 ZINC000863268103 1010150744 /nfs/dbraw/zinc/15/07/44/1010150744.db2.gz MEWPHBRJJHIKLR-MSOLQXFVSA-N 1 2 364.405 2.557 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3C[C@@H](c4ccccc4)OC3=O)C2)nc1 ZINC000863268103 1010150750 /nfs/dbraw/zinc/15/07/50/1010150750.db2.gz MEWPHBRJJHIKLR-MSOLQXFVSA-N 1 2 364.405 2.557 20 30 FFEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000794508189 1010160824 /nfs/dbraw/zinc/16/08/24/1010160824.db2.gz SHNLRQMRKAUOFT-UHFFFAOYSA-N 1 2 368.462 2.757 20 30 FFEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)C1 ZINC001093599789 1010360788 /nfs/dbraw/zinc/36/07/88/1010360788.db2.gz CKHZURPASVMLOY-VQTJNVASSA-N 1 2 358.457 2.807 20 30 FFEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171418878 1010377543 /nfs/dbraw/zinc/37/75/43/1010377543.db2.gz NJHIDRHVHPMPMP-PXNSSMCTSA-N 1 2 352.409 2.929 20 30 FFEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171418880 1010378562 /nfs/dbraw/zinc/37/85/62/1010378562.db2.gz NJHIDRHVHPMPMP-YLJYHZDGSA-N 1 2 352.409 2.929 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2noc3c2CC(C)(C)CC3)C[C@H]1C ZINC001206913603 1032494294 /nfs/dbraw/zinc/49/42/94/1032494294.db2.gz RHDYSNUNURWSSL-NVXWUHKLSA-N 1 2 357.498 2.930 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2noc3c2CC(C)(C)CC3)C[C@H]1C ZINC001206913603 1032494298 /nfs/dbraw/zinc/49/42/98/1032494298.db2.gz RHDYSNUNURWSSL-NVXWUHKLSA-N 1 2 357.498 2.930 20 30 FFEDLO C#C[C@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000825567421 1010792123 /nfs/dbraw/zinc/79/21/23/1010792123.db2.gz YMZVGHJYXDYZSJ-SFTDATJTSA-N 1 2 363.461 2.561 20 30 FFEDLO C#C[C@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000825567421 1010792125 /nfs/dbraw/zinc/79/21/25/1010792125.db2.gz YMZVGHJYXDYZSJ-SFTDATJTSA-N 1 2 363.461 2.561 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001110863242 1011268102 /nfs/dbraw/zinc/26/81/02/1011268102.db2.gz AYJKWISVRRXSOM-ZTRFORPCSA-N 1 2 361.486 2.742 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001110863242 1011268116 /nfs/dbraw/zinc/26/81/16/1011268116.db2.gz AYJKWISVRRXSOM-ZTRFORPCSA-N 1 2 361.486 2.742 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000644967330 1011288498 /nfs/dbraw/zinc/28/84/98/1011288498.db2.gz WMXBSRHTPNLENR-KSZLIROESA-N 1 2 354.454 2.594 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000644967187 1011289120 /nfs/dbraw/zinc/28/91/20/1011289120.db2.gz RWMHYYLSINJJBD-JZXOWHBKSA-N 1 2 358.486 2.700 20 30 FFEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1[C@H]1Cc2cccc(F)c2C1 ZINC001171797585 1011483507 /nfs/dbraw/zinc/48/35/07/1011483507.db2.gz WRYZFSVGORGJHC-KXBFYZLASA-N 1 2 356.445 2.706 20 30 FFEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1[C@H]1Cc2cccc(F)c2C1 ZINC001171797585 1011483515 /nfs/dbraw/zinc/48/35/15/1011483515.db2.gz WRYZFSVGORGJHC-KXBFYZLASA-N 1 2 356.445 2.706 20 30 FFEDLO COC(=O)[C@H]1C[C@H]([N@@H+]2CC[C@@](C)(C#N)C2)C[C@H]1C(=O)OCc1ccccc1 ZINC001172277681 1011711729 /nfs/dbraw/zinc/71/17/29/1011711729.db2.gz WDBZNHNKHQDUPE-UGNRZPKXSA-N 1 2 370.449 2.533 20 30 FFEDLO COC(=O)[C@H]1C[C@H]([N@H+]2CC[C@@](C)(C#N)C2)C[C@H]1C(=O)OCc1ccccc1 ZINC001172277681 1011711743 /nfs/dbraw/zinc/71/17/43/1011711743.db2.gz WDBZNHNKHQDUPE-UGNRZPKXSA-N 1 2 370.449 2.533 20 30 FFEDLO CCCCCCCC[N@@H+]1C[C@]2(F)CN(COCCOC)C(=O)[C@]2(F)C1 ZINC001275114403 1011955661 /nfs/dbraw/zinc/95/56/61/1011955661.db2.gz NHWXRZHOKAZYIO-ZWKOTPCHSA-N 1 2 362.461 2.542 20 30 FFEDLO CCCCCCCC[N@H+]1C[C@]2(F)CN(COCCOC)C(=O)[C@]2(F)C1 ZINC001275114403 1011955675 /nfs/dbraw/zinc/95/56/75/1011955675.db2.gz NHWXRZHOKAZYIO-ZWKOTPCHSA-N 1 2 362.461 2.542 20 30 FFEDLO CCCCCCCCC[N@@H+]1C[C@]2(F)CN([C@@H](CC)C(N)=O)C(=O)[C@]2(F)C1 ZINC001275118560 1011962033 /nfs/dbraw/zinc/96/20/33/1011962033.db2.gz FIOXIZZLCNSVMZ-ZYSHUDEJSA-N 1 2 373.488 2.575 20 30 FFEDLO CCCCCCCCC[N@H+]1C[C@]2(F)CN([C@@H](CC)C(N)=O)C(=O)[C@]2(F)C1 ZINC001275118560 1011962042 /nfs/dbraw/zinc/96/20/42/1011962042.db2.gz FIOXIZZLCNSVMZ-ZYSHUDEJSA-N 1 2 373.488 2.575 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ncccn2)C[C@H]1C#N ZINC001172994045 1012196761 /nfs/dbraw/zinc/19/67/61/1012196761.db2.gz QLVCXSLEJGAZSP-OWCLPIDISA-N 1 2 357.458 2.905 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CCC[C@@H]2c2ncccn2)C[C@H]1C#N ZINC001172994045 1012196769 /nfs/dbraw/zinc/19/67/69/1012196769.db2.gz QLVCXSLEJGAZSP-OWCLPIDISA-N 1 2 357.458 2.905 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCCCCCNc1ccc(C#N)nc1 ZINC001095000874 1012219815 /nfs/dbraw/zinc/21/98/15/1012219815.db2.gz ZSAMLVIWMGCNQH-QZTJIDSGSA-N 1 2 366.469 2.579 20 30 FFEDLO Cc1nc(NCCCCCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)ccc1C#N ZINC001095005705 1012235383 /nfs/dbraw/zinc/23/53/83/1012235383.db2.gz WEYOVYUCQXBHER-IAGOWNOFSA-N 1 2 366.469 2.877 20 30 FFEDLO Cc1nc(NCCCCCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccc1C#N ZINC001095005705 1012235395 /nfs/dbraw/zinc/23/53/95/1012235395.db2.gz WEYOVYUCQXBHER-IAGOWNOFSA-N 1 2 366.469 2.877 20 30 FFEDLO COC(C)(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)C1=O ZINC001275328930 1012306379 /nfs/dbraw/zinc/30/63/79/1012306379.db2.gz HEPXMLJGBYIWBJ-HXUWFJFHSA-N 1 2 359.445 2.689 20 30 FFEDLO COC(C)(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccc(F)c(C#N)c2)C1=O ZINC001275328930 1012306405 /nfs/dbraw/zinc/30/64/05/1012306405.db2.gz HEPXMLJGBYIWBJ-HXUWFJFHSA-N 1 2 359.445 2.689 20 30 FFEDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c1F ZINC001173187543 1012328676 /nfs/dbraw/zinc/32/86/76/1012328676.db2.gz XHWAGHYTLOPADE-BMIGLBTASA-N 1 2 366.414 2.948 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3oc4ccccc4c3C)[C@@H]2C1 ZINC001221996667 1032632752 /nfs/dbraw/zinc/63/27/52/1032632752.db2.gz LDLGUZDHPBZRNJ-SJLPKXTDSA-N 1 2 352.434 2.537 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3oc4ccccc4c3C)[C@@H]2C1 ZINC001221996667 1032632759 /nfs/dbraw/zinc/63/27/59/1032632759.db2.gz LDLGUZDHPBZRNJ-SJLPKXTDSA-N 1 2 352.434 2.537 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)on1 ZINC001095156102 1012565012 /nfs/dbraw/zinc/56/50/12/1012565012.db2.gz OBJHZJCHFBLGEQ-PVAVHDDUSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)on1 ZINC001095156102 1012565027 /nfs/dbraw/zinc/56/50/27/1012565027.db2.gz OBJHZJCHFBLGEQ-PVAVHDDUSA-N 1 2 354.385 2.529 20 30 FFEDLO CCC[N@H+](CCC#N)[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](CC)(C(=O)OC)C1 ZINC001173536520 1012704039 /nfs/dbraw/zinc/70/40/39/1012704039.db2.gz NNOQFJDOJJOJGT-HNAYVOBHSA-N 1 2 367.490 2.943 20 30 FFEDLO CCC[N@@H+](CCC#N)[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](CC)(C(=O)OC)C1 ZINC001173536520 1012704055 /nfs/dbraw/zinc/70/40/55/1012704055.db2.gz NNOQFJDOJJOJGT-HNAYVOBHSA-N 1 2 367.490 2.943 20 30 FFEDLO CC1(C#N)CCC([N@@H+]2CCn3c(COc4ccccn4)nnc3C2)CC1 ZINC001173595425 1012765956 /nfs/dbraw/zinc/76/59/56/1012765956.db2.gz YJXIUBTYMSDBGM-UHFFFAOYSA-N 1 2 352.442 2.540 20 30 FFEDLO CC1(C#N)CCC([N@H+]2CCn3c(COc4ccccn4)nnc3C2)CC1 ZINC001173595425 1012765969 /nfs/dbraw/zinc/76/59/69/1012765969.db2.gz YJXIUBTYMSDBGM-UHFFFAOYSA-N 1 2 352.442 2.540 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(F)ccc1F)C2 ZINC001275663288 1012792354 /nfs/dbraw/zinc/79/23/54/1012792354.db2.gz SBBSUWMPNTVKTN-IBGZPJMESA-N 1 2 350.409 2.592 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC001275663288 1012792359 /nfs/dbraw/zinc/79/23/59/1012792359.db2.gz SBBSUWMPNTVKTN-IBGZPJMESA-N 1 2 350.409 2.592 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC001275686941 1012861608 /nfs/dbraw/zinc/86/16/08/1012861608.db2.gz VFEKGJMUBCXMSQ-UHFFFAOYSA-N 1 2 370.371 2.575 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(Br)cc2N)C1=O ZINC001275782861 1013003307 /nfs/dbraw/zinc/00/33/07/1013003307.db2.gz DBADYHYFWMPQAB-KRWDZBQOSA-N 1 2 364.287 2.784 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(Br)cc2N)C1=O ZINC001275782861 1013003321 /nfs/dbraw/zinc/00/33/21/1013003321.db2.gz DBADYHYFWMPQAB-KRWDZBQOSA-N 1 2 364.287 2.784 20 30 FFEDLO Cc1ncoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095270581 1013031724 /nfs/dbraw/zinc/03/17/24/1013031724.db2.gz VKGNTICJEHMMKD-PVAVHDDUSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1ncoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095270581 1013031739 /nfs/dbraw/zinc/03/17/39/1013031739.db2.gz VKGNTICJEHMMKD-PVAVHDDUSA-N 1 2 354.385 2.529 20 30 FFEDLO C=C[C@@H](CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccn(C)n3)C[C@H]21)c1ccccc1 ZINC001222037797 1032684516 /nfs/dbraw/zinc/68/45/16/1032684516.db2.gz CDVVBPRPPQUFPB-FBBABVLZSA-N 1 2 364.493 2.813 20 30 FFEDLO C=C[C@@H](CC(=O)N1C[C@H]2CC[N@H+](Cc3ccn(C)n3)C[C@H]21)c1ccccc1 ZINC001222037797 1032684527 /nfs/dbraw/zinc/68/45/27/1032684527.db2.gz CDVVBPRPPQUFPB-FBBABVLZSA-N 1 2 364.493 2.813 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cncn4C)C[C@H]32)CCCCC1 ZINC001222040008 1032687693 /nfs/dbraw/zinc/68/76/93/1032687693.db2.gz JLNOYQVHUIHUQY-IEBWSBKVSA-N 1 2 356.514 2.979 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cncn4C)C[C@H]32)CCCCC1 ZINC001222040008 1032687708 /nfs/dbraw/zinc/68/77/08/1032687708.db2.gz JLNOYQVHUIHUQY-IEBWSBKVSA-N 1 2 356.514 2.979 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cc2c[nH]ccc-2n1 ZINC001097336489 1017362549 /nfs/dbraw/zinc/36/25/49/1017362549.db2.gz IYOXHSODSCPVSC-UZKOGDIHSA-N 1 2 370.456 2.950 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cc2c[nH]ccc-2n1 ZINC001097336489 1017362552 /nfs/dbraw/zinc/36/25/52/1017362552.db2.gz IYOXHSODSCPVSC-UZKOGDIHSA-N 1 2 370.456 2.950 20 30 FFEDLO CCc1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001097408307 1017440504 /nfs/dbraw/zinc/44/05/04/1017440504.db2.gz AHQXXEWKVLFZEH-ZMYBRWDISA-N 1 2 367.428 2.518 20 30 FFEDLO CCc1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001097408307 1017440511 /nfs/dbraw/zinc/44/05/11/1017440511.db2.gz AHQXXEWKVLFZEH-ZMYBRWDISA-N 1 2 367.428 2.518 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc([C@@H](C)CC)cc3)[C@@H]2C1 ZINC001222057948 1032711763 /nfs/dbraw/zinc/71/17/63/1032711763.db2.gz IKLIPIKNGKGWLY-PWIZWCRZSA-N 1 2 369.509 2.649 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc([C@@H](C)CC)cc3)[C@@H]2C1 ZINC001222057948 1032711771 /nfs/dbraw/zinc/71/17/71/1032711771.db2.gz IKLIPIKNGKGWLY-PWIZWCRZSA-N 1 2 369.509 2.649 20 30 FFEDLO CC(C)n1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c1 ZINC001097581860 1017664453 /nfs/dbraw/zinc/66/44/53/1017664453.db2.gz RWALZFJMBKYRCH-GGPKGHCWSA-N 1 2 363.465 2.871 20 30 FFEDLO CC(C)n1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c1 ZINC001097581860 1017664460 /nfs/dbraw/zinc/66/44/60/1017664460.db2.gz RWALZFJMBKYRCH-GGPKGHCWSA-N 1 2 363.465 2.871 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@](C)(CC)CCCCC)[C@@H]2C1 ZINC001222060025 1032717197 /nfs/dbraw/zinc/71/71/97/1032717197.db2.gz HBGWPXZUTXVAQE-DBXWQHBBSA-N 1 2 363.546 2.818 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)(CC)CCCCC)[C@@H]2C1 ZINC001222060025 1032717211 /nfs/dbraw/zinc/71/72/11/1032717211.db2.gz HBGWPXZUTXVAQE-DBXWQHBBSA-N 1 2 363.546 2.818 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2occc2C(C)C)C3)C1=O ZINC001097701798 1017815060 /nfs/dbraw/zinc/81/50/60/1017815060.db2.gz MIQADXJTKDGVOB-NRSFXHEJSA-N 1 2 371.481 2.525 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2occc2C(C)C)C3)C1=O ZINC001097701798 1017815077 /nfs/dbraw/zinc/81/50/77/1017815077.db2.gz MIQADXJTKDGVOB-NRSFXHEJSA-N 1 2 371.481 2.525 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C[C@H]21 ZINC001222068614 1032730541 /nfs/dbraw/zinc/73/05/41/1032730541.db2.gz ATOYPUHBVRLGSW-JCKWVBRZSA-N 1 2 350.409 2.589 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C[C@H]21 ZINC001222068614 1032730558 /nfs/dbraw/zinc/73/05/58/1032730558.db2.gz ATOYPUHBVRLGSW-JCKWVBRZSA-N 1 2 350.409 2.589 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CCC(C)CC2)C1 ZINC001097809698 1017972122 /nfs/dbraw/zinc/97/21/22/1017972122.db2.gz MPNVMVMMHDQSFF-XXXOSLHZSA-N 1 2 373.541 2.759 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CCC(C)CC2)C1 ZINC001097809698 1017972134 /nfs/dbraw/zinc/97/21/34/1017972134.db2.gz MPNVMVMMHDQSFF-XXXOSLHZSA-N 1 2 373.541 2.759 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(Cl)cc2)O1 ZINC001097886479 1018215571 /nfs/dbraw/zinc/21/55/71/1018215571.db2.gz BGNFJRTVSIMIMO-MRBRGOBGSA-N 1 2 372.896 2.981 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(Cl)cc2)O1 ZINC001097886479 1018215584 /nfs/dbraw/zinc/21/55/84/1018215584.db2.gz BGNFJRTVSIMIMO-MRBRGOBGSA-N 1 2 372.896 2.981 20 30 FFEDLO Cc1cc(C)c(C(=O)NC[C@@H]2CN(c3ncccc3C#N)C[C@H]2C)c(C)[nH+]1 ZINC001053254100 1018225852 /nfs/dbraw/zinc/22/58/52/1018225852.db2.gz QWYOZXWVCUGHRZ-RDTXWAMCSA-N 1 2 363.465 2.776 20 30 FFEDLO C[C@H](c1ccnn1CC1CCC1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000926826589 1018264303 /nfs/dbraw/zinc/26/43/03/1018264303.db2.gz YRXUQEDFKALCJW-MRXNPFEDSA-N 1 2 350.470 2.833 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000927078047 1018350239 /nfs/dbraw/zinc/35/02/39/1018350239.db2.gz RDRHRLYQTRAUPL-SFHVURJKSA-N 1 2 359.433 2.739 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(Cl)c(OC)c3)C[C@@H]21 ZINC001217503524 1032760774 /nfs/dbraw/zinc/76/07/74/1032760774.db2.gz HSKPYIXPYZZHPD-FUHWJXTLSA-N 1 2 364.873 2.726 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(Cl)c(OC)c3)C[C@@H]21 ZINC001217503524 1032760792 /nfs/dbraw/zinc/76/07/92/1032760792.db2.gz HSKPYIXPYZZHPD-FUHWJXTLSA-N 1 2 364.873 2.726 20 30 FFEDLO Cc1cc(NC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC001053672008 1018408684 /nfs/dbraw/zinc/40/86/84/1018408684.db2.gz OMKKSGDBBMOOHT-CZUORRHYSA-N 1 2 366.469 2.928 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC001217503827 1032762157 /nfs/dbraw/zinc/76/21/57/1032762157.db2.gz MXCDAEPFZBIJQV-RBUKOAKNSA-N 1 2 358.869 2.569 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC001217503827 1032762174 /nfs/dbraw/zinc/76/21/74/1032762174.db2.gz MXCDAEPFZBIJQV-RBUKOAKNSA-N 1 2 358.869 2.569 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1 ZINC001110932270 1018689124 /nfs/dbraw/zinc/68/91/24/1018689124.db2.gz LPRUPDFTSIODEO-AFYVEPGGSA-N 1 2 369.509 2.627 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1 ZINC001110932270 1018689129 /nfs/dbraw/zinc/68/91/29/1018689129.db2.gz LPRUPDFTSIODEO-AFYVEPGGSA-N 1 2 369.509 2.627 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@H]2OC)CC1 ZINC001042961582 1019167882 /nfs/dbraw/zinc/16/78/82/1019167882.db2.gz VKUBHTGGSXLJSL-QZTJIDSGSA-N 1 2 370.497 2.729 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC1(C)C ZINC001068136517 1019224586 /nfs/dbraw/zinc/22/45/86/1019224586.db2.gz KIACKPZTXHARSJ-IXDOHACOSA-N 1 2 370.497 2.585 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](CCc2ccc(F)c(F)c2)C1 ZINC001044039166 1019642710 /nfs/dbraw/zinc/64/27/10/1019642710.db2.gz VPQQANYXGGGUOC-LPHOPBHVSA-N 1 2 364.436 2.631 20 30 FFEDLO CCN(CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cccc(F)c1C#N ZINC001095967812 1019647102 /nfs/dbraw/zinc/64/71/02/1019647102.db2.gz QWWPOVFKJSQJEI-HUUCEWRRSA-N 1 2 369.444 2.567 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CCCC2)CC1 ZINC001095970187 1019649895 /nfs/dbraw/zinc/64/98/95/1019649895.db2.gz HUDFYAFTWBOFCY-QYZOEREBSA-N 1 2 359.514 2.513 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CCCC2)CC1 ZINC001095970187 1019649901 /nfs/dbraw/zinc/64/99/01/1019649901.db2.gz HUDFYAFTWBOFCY-QYZOEREBSA-N 1 2 359.514 2.513 20 30 FFEDLO Cc1conc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096292683 1019930796 /nfs/dbraw/zinc/93/07/96/1019930796.db2.gz JBKZHGLHGNPWNM-PVAVHDDUSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1conc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096292683 1019930806 /nfs/dbraw/zinc/93/08/06/1019930806.db2.gz JBKZHGLHGNPWNM-PVAVHDDUSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1cc(C(=O)N2CC[N@H+](Cc3c(C)cc(C#N)cc3C)[C@H](C)C2)n[nH]1 ZINC000930684167 1020133708 /nfs/dbraw/zinc/13/37/08/1020133708.db2.gz MJIJJYODHASSNJ-MRXNPFEDSA-N 1 2 351.454 2.553 20 30 FFEDLO Cc1cc(C(=O)N2CC[N@@H+](Cc3c(C)cc(C#N)cc3C)[C@H](C)C2)n[nH]1 ZINC000930684167 1020133720 /nfs/dbraw/zinc/13/37/20/1020133720.db2.gz MJIJJYODHASSNJ-MRXNPFEDSA-N 1 2 351.454 2.553 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(NC(=O)NC)c1)C2 ZINC001096350579 1020188052 /nfs/dbraw/zinc/18/80/52/1020188052.db2.gz PZGJTXIKWNPZNX-PMPSAXMXSA-N 1 2 362.861 2.526 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(NC(=O)NC)c1)C2 ZINC001096350579 1020188054 /nfs/dbraw/zinc/18/80/54/1020188054.db2.gz PZGJTXIKWNPZNX-PMPSAXMXSA-N 1 2 362.861 2.526 20 30 FFEDLO CC(C)C#CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H](C)c3ccccc3Cl)C[C@@H]21 ZINC001217839092 1032883206 /nfs/dbraw/zinc/88/32/06/1032883206.db2.gz DETHLTALFDWZIZ-AYOQOUSVSA-N 1 2 360.885 2.972 20 30 FFEDLO CC(C)C#CC(=O)N1CCO[C@@H]2C[N@H+]([C@H](C)c3ccccc3Cl)C[C@@H]21 ZINC001217839092 1032883221 /nfs/dbraw/zinc/88/32/21/1032883221.db2.gz DETHLTALFDWZIZ-AYOQOUSVSA-N 1 2 360.885 2.972 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC(C)C)CC1 ZINC000802663206 1020304079 /nfs/dbraw/zinc/30/40/79/1020304079.db2.gz FIPHNVYPGLMJDW-UHFFFAOYSA-N 1 2 362.481 2.838 20 30 FFEDLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000900273030 1020322263 /nfs/dbraw/zinc/32/22/63/1020322263.db2.gz WSZXBFXQIQYYQJ-INIZCTEOSA-N 1 2 373.453 2.583 20 30 FFEDLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000900273030 1020322270 /nfs/dbraw/zinc/32/22/70/1020322270.db2.gz WSZXBFXQIQYYQJ-INIZCTEOSA-N 1 2 373.453 2.583 20 30 FFEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)C1 ZINC001073005407 1020342743 /nfs/dbraw/zinc/34/27/43/1020342743.db2.gz WJVYQEJEUGXADP-ZIAGYGMSSA-N 1 2 365.271 2.826 20 30 FFEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)C1 ZINC001073005407 1020342745 /nfs/dbraw/zinc/34/27/45/1020342745.db2.gz WJVYQEJEUGXADP-ZIAGYGMSSA-N 1 2 365.271 2.826 20 30 FFEDLO N#Cc1ccc([C@H](O)C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000800581970 1020408866 /nfs/dbraw/zinc/40/88/66/1020408866.db2.gz ORCHCGVDSQRADM-HKUYNNGSSA-N 1 2 364.449 2.531 20 30 FFEDLO N#Cc1ccc([C@H](O)C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000800581972 1020408981 /nfs/dbraw/zinc/40/89/81/1020408981.db2.gz ORCHCGVDSQRADM-MJGOQNOKSA-N 1 2 364.449 2.531 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCc3nc[nH]c3[C@H]2c2ccc(F)cc2)CCC1 ZINC000931388752 1020448818 /nfs/dbraw/zinc/44/88/18/1020448818.db2.gz VEYKJZPXCQRGCL-VQIMIIECSA-N 1 2 354.429 2.941 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCc3nc[nH]c3[C@H]2c2ccc(F)cc2)CCC1 ZINC000931388752 1020448824 /nfs/dbraw/zinc/44/88/24/1020448824.db2.gz VEYKJZPXCQRGCL-VQIMIIECSA-N 1 2 354.429 2.941 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC001137714303 1032910335 /nfs/dbraw/zinc/91/03/35/1032910335.db2.gz LWRPOESEGIYIJV-UHFFFAOYSA-N 1 2 352.829 2.805 20 30 FFEDLO C[C@@H]1CN(Cc2ccccc2)C[C@]2(CC[N@H+](Cc3cncc(C#N)c3)C2)O1 ZINC000931704831 1020556492 /nfs/dbraw/zinc/55/64/92/1020556492.db2.gz RNWDCICKIRRKBW-XMSQKQJNSA-N 1 2 362.477 2.819 20 30 FFEDLO C[C@@H]1CN(Cc2ccccc2)C[C@]2(CC[N@@H+](Cc3cncc(C#N)c3)C2)O1 ZINC000931704831 1020556494 /nfs/dbraw/zinc/55/64/94/1020556494.db2.gz RNWDCICKIRRKBW-XMSQKQJNSA-N 1 2 362.477 2.819 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046318246 1020582826 /nfs/dbraw/zinc/58/28/26/1020582826.db2.gz BZXGQHKBJIODOQ-SVFBPWRDSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046318246 1020582834 /nfs/dbraw/zinc/58/28/34/1020582834.db2.gz BZXGQHKBJIODOQ-SVFBPWRDSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046318244 1020583716 /nfs/dbraw/zinc/58/37/16/1020583716.db2.gz BZXGQHKBJIODOQ-DYXWJJEUSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046318244 1020583730 /nfs/dbraw/zinc/58/37/30/1020583730.db2.gz BZXGQHKBJIODOQ-DYXWJJEUSA-N 1 2 371.456 2.759 20 30 FFEDLO C=CC1(CC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000931884204 1020617721 /nfs/dbraw/zinc/61/77/21/1020617721.db2.gz FVNWCRBMZSONQD-MRXNPFEDSA-N 1 2 374.485 2.860 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046389464 1020626634 /nfs/dbraw/zinc/62/66/34/1020626634.db2.gz KASNRYCIUYCBDB-HEFCMCLBSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046389464 1020626639 /nfs/dbraw/zinc/62/66/39/1020626639.db2.gz KASNRYCIUYCBDB-HEFCMCLBSA-N 1 2 359.445 2.593 20 30 FFEDLO CCCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)C(F)C(F)(F)F)[C@H]2C1 ZINC001217954066 1032918365 /nfs/dbraw/zinc/91/83/65/1032918365.db2.gz LSJHGAOYMVFWNR-BFHYXJOUSA-N 1 2 354.388 2.769 20 30 FFEDLO CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)C(F)C(F)(F)F)[C@H]2C1 ZINC001217954066 1032918370 /nfs/dbraw/zinc/91/83/70/1032918370.db2.gz LSJHGAOYMVFWNR-BFHYXJOUSA-N 1 2 354.388 2.769 20 30 FFEDLO N#Cc1ccc(F)cc1C[NH+]1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000932045406 1020686982 /nfs/dbraw/zinc/68/69/82/1020686982.db2.gz CVPVITQPRMGTJO-UHFFFAOYSA-N 1 2 365.408 2.854 20 30 FFEDLO C#CCN(C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CSC1 ZINC000903142557 1020700520 /nfs/dbraw/zinc/70/05/20/1020700520.db2.gz LCXGVQVDDDHHGM-IYBDPMFKSA-N 1 2 373.522 2.878 20 30 FFEDLO C#CCN(C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CSC1 ZINC000903142557 1020700531 /nfs/dbraw/zinc/70/05/31/1020700531.db2.gz LCXGVQVDDDHHGM-IYBDPMFKSA-N 1 2 373.522 2.878 20 30 FFEDLO C[C@@]1(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046639249 1020739561 /nfs/dbraw/zinc/73/95/61/1020739561.db2.gz LEVLVGSNXCCSKK-PLOVASNDSA-N 1 2 372.896 2.840 20 30 FFEDLO C[C@@]1(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046639249 1020739569 /nfs/dbraw/zinc/73/95/69/1020739569.db2.gz LEVLVGSNXCCSKK-PLOVASNDSA-N 1 2 372.896 2.840 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)no1 ZINC001098243095 1020757594 /nfs/dbraw/zinc/75/75/94/1020757594.db2.gz BTWBCQNPWMJXET-BJZITVGISA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)no1 ZINC001098243095 1020757601 /nfs/dbraw/zinc/75/76/01/1020757601.db2.gz BTWBCQNPWMJXET-BJZITVGISA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001098385051 1020862642 /nfs/dbraw/zinc/86/26/42/1020862642.db2.gz ZWYTZQDRUKHDGE-RLLQIKCJSA-N 1 2 363.461 2.932 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001098385051 1020862651 /nfs/dbraw/zinc/86/26/51/1020862651.db2.gz ZWYTZQDRUKHDGE-RLLQIKCJSA-N 1 2 363.461 2.932 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1c(C)nn(C)c1C)C2 ZINC001098505060 1020973902 /nfs/dbraw/zinc/97/39/02/1020973902.db2.gz MLZRWEAIRMJMOM-MPESAESLSA-N 1 2 350.894 2.614 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1c(C)nn(C)c1C)C2 ZINC001098505060 1020973905 /nfs/dbraw/zinc/97/39/05/1020973905.db2.gz MLZRWEAIRMJMOM-MPESAESLSA-N 1 2 350.894 2.614 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cccc(=O)[nH]2)cc1 ZINC000933394776 1021005345 /nfs/dbraw/zinc/00/53/45/1021005345.db2.gz WVAOXYTWKPBORO-UHFFFAOYSA-N 1 2 368.437 2.565 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cccc(=O)[nH]2)cc1 ZINC000933394776 1021005350 /nfs/dbraw/zinc/00/53/50/1021005350.db2.gz WVAOXYTWKPBORO-UHFFFAOYSA-N 1 2 368.437 2.565 20 30 FFEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000778176429 1021028526 /nfs/dbraw/zinc/02/85/26/1021028526.db2.gz FNXZRASBJROAES-UHFFFAOYSA-N 1 2 371.868 2.873 20 30 FFEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)nc1-c1ccncc1 ZINC000749798488 1021036420 /nfs/dbraw/zinc/03/64/20/1021036420.db2.gz IPDVDXPWJASLPZ-SJORKVTESA-N 1 2 371.510 2.978 20 30 FFEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)nc1-c1ccncc1 ZINC000749798488 1021036424 /nfs/dbraw/zinc/03/64/24/1021036424.db2.gz IPDVDXPWJASLPZ-SJORKVTESA-N 1 2 371.510 2.978 20 30 FFEDLO N#Cc1cc(I)ccc1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218011106 1032950866 /nfs/dbraw/zinc/95/08/66/1032950866.db2.gz URBNRSZBHFVNIN-LLVKDONJSA-N 1 2 364.133 2.539 20 30 FFEDLO O=C(N[C@]12CCC[C@H]1C[N@@H+](CC#Cc1ccccc1Cl)C2)c1ccn[nH]1 ZINC001098738174 1021096971 /nfs/dbraw/zinc/09/69/71/1021096971.db2.gz VLTBZYATVPBLSB-JXFKEZNVSA-N 1 2 368.868 2.699 20 30 FFEDLO O=C(N[C@]12CCC[C@H]1C[N@H+](CC#Cc1ccccc1Cl)C2)c1ccn[nH]1 ZINC001098738174 1021096976 /nfs/dbraw/zinc/09/69/76/1021096976.db2.gz VLTBZYATVPBLSB-JXFKEZNVSA-N 1 2 368.868 2.699 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cscn2)C1 ZINC001098752247 1021110285 /nfs/dbraw/zinc/11/02/85/1021110285.db2.gz XUCZSJYLCJERHU-FZMZJTMJSA-N 1 2 356.289 2.636 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cscn2)C1 ZINC001098752247 1021110288 /nfs/dbraw/zinc/11/02/88/1021110288.db2.gz XUCZSJYLCJERHU-FZMZJTMJSA-N 1 2 356.289 2.636 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3oc(CC)nc3C)C[C@@H]21 ZINC001218023645 1032957828 /nfs/dbraw/zinc/95/78/28/1032957828.db2.gz XXURMDCQZIIXST-DOTOQJQBSA-N 1 2 361.486 2.559 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3oc(CC)nc3C)C[C@@H]21 ZINC001218023645 1032957836 /nfs/dbraw/zinc/95/78/36/1032957836.db2.gz XXURMDCQZIIXST-DOTOQJQBSA-N 1 2 361.486 2.559 20 30 FFEDLO N#Cc1cc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C3)c[nH]1 ZINC001098800730 1021160381 /nfs/dbraw/zinc/16/03/81/1021160381.db2.gz PGARARCKXTVQQB-BPZDBDPXSA-N 1 2 353.253 2.790 20 30 FFEDLO N#Cc1cc(C(=O)N[C@]23CCC[C@H]2C[N@H+](C/C(Cl)=C\Cl)C3)c[nH]1 ZINC001098800730 1021160385 /nfs/dbraw/zinc/16/03/85/1021160385.db2.gz PGARARCKXTVQQB-BPZDBDPXSA-N 1 2 353.253 2.790 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1nnc(C)o1)C2 ZINC001098876849 1021294265 /nfs/dbraw/zinc/29/42/65/1021294265.db2.gz ZFDPXARQXBJWQP-UVFQYZLESA-N 1 2 369.469 2.711 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1nnc(C)o1)C2 ZINC001098876849 1021294272 /nfs/dbraw/zinc/29/42/72/1021294272.db2.gz ZFDPXARQXBJWQP-UVFQYZLESA-N 1 2 369.469 2.711 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2nccc(C)n2)C3)cc1 ZINC001098969282 1021502855 /nfs/dbraw/zinc/50/28/55/1021502855.db2.gz FOXGLXOOVHGNQK-UGKGYDQZSA-N 1 2 360.461 2.551 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2nccc(C)n2)C3)cc1 ZINC001098969282 1021502864 /nfs/dbraw/zinc/50/28/64/1021502864.db2.gz FOXGLXOOVHGNQK-UGKGYDQZSA-N 1 2 360.461 2.551 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c(C)n[nH]c1C)C2 ZINC001111422590 1021526759 /nfs/dbraw/zinc/52/67/59/1021526759.db2.gz QZZUOKVRICBYEY-OXVOBEKISA-N 1 2 350.894 2.679 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c(C)n[nH]c1C)C2 ZINC001111422590 1021526768 /nfs/dbraw/zinc/52/67/68/1021526768.db2.gz QZZUOKVRICBYEY-OXVOBEKISA-N 1 2 350.894 2.679 20 30 FFEDLO Cc1nc(N2CCOCC2)sc1C=[NH+]Nc1ccc([N+](=O)[O-])cc1C ZINC001117530296 1021743211 /nfs/dbraw/zinc/74/32/11/1021743211.db2.gz LHBOVHCCJJMELZ-UHFFFAOYSA-N 1 2 361.427 2.951 20 30 FFEDLO O=C(C(F)C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC2CC2)C1 ZINC001099254691 1022170225 /nfs/dbraw/zinc/17/02/25/1022170225.db2.gz TZUMELPEXWAMRJ-BBBLOLIVSA-N 1 2 350.278 2.666 20 30 FFEDLO O=C([C@H](F)C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC2CC2)C1 ZINC001099254691 1022170231 /nfs/dbraw/zinc/17/02/31/1022170231.db2.gz TZUMELPEXWAMRJ-BBBLOLIVSA-N 1 2 350.278 2.666 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3cccnc31)C2 ZINC001095933067 1022337832 /nfs/dbraw/zinc/33/78/32/1022337832.db2.gz UFLJHVMMNJAXKL-ANULTFPQSA-N 1 2 372.472 2.905 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3cccnc31)C2 ZINC001095933067 1022337849 /nfs/dbraw/zinc/33/78/49/1022337849.db2.gz UFLJHVMMNJAXKL-ANULTFPQSA-N 1 2 372.472 2.905 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3nc(Br)cs3)C2)C1=O ZINC001137776117 1033056500 /nfs/dbraw/zinc/05/65/00/1033056500.db2.gz AUNWPTWFLMVIBH-OAHLLOKOSA-N 1 2 370.316 2.906 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+](Cc3nc(Br)cs3)C2)C1=O ZINC001137776117 1033056513 /nfs/dbraw/zinc/05/65/13/1033056513.db2.gz AUNWPTWFLMVIBH-OAHLLOKOSA-N 1 2 370.316 2.906 20 30 FFEDLO C#CCOCC[N@@H+](C)Cc1nnc(-c2cc3ccccc3cc2OC)o1 ZINC001119252682 1022635008 /nfs/dbraw/zinc/63/50/08/1022635008.db2.gz MEOZHARADBVXTL-UHFFFAOYSA-N 1 2 351.406 2.980 20 30 FFEDLO C#CCOCC[N@H+](C)Cc1nnc(-c2cc3ccccc3cc2OC)o1 ZINC001119252682 1022635014 /nfs/dbraw/zinc/63/50/14/1022635014.db2.gz MEOZHARADBVXTL-UHFFFAOYSA-N 1 2 351.406 2.980 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001038503088 1022661068 /nfs/dbraw/zinc/66/10/68/1022661068.db2.gz MWDPSKVTNCZOIR-KZNAEPCWSA-N 1 2 355.482 2.940 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001038503088 1022661073 /nfs/dbraw/zinc/66/10/73/1022661073.db2.gz MWDPSKVTNCZOIR-KZNAEPCWSA-N 1 2 355.482 2.940 20 30 FFEDLO C#C[C@H]([NH2+]Cc1cc(C(=O)OCC)n[nH]1)c1ccc(Br)cc1 ZINC001119448803 1022775307 /nfs/dbraw/zinc/77/53/07/1022775307.db2.gz MSLZRDGVBIUPAY-AWEZNQCLSA-N 1 2 362.227 2.813 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001039977577 1022797804 /nfs/dbraw/zinc/79/78/04/1022797804.db2.gz ANUAJDDIFLTNLF-KURKYZTESA-N 1 2 358.486 2.584 20 30 FFEDLO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000752053068 1023038670 /nfs/dbraw/zinc/03/86/70/1023038670.db2.gz OLUITNRYYLZHDX-QFBILLFUSA-N 1 2 358.438 2.828 20 30 FFEDLO CCOC(=O)CC[C@@H]1CCC[N@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000752053068 1023038681 /nfs/dbraw/zinc/03/86/81/1023038681.db2.gz OLUITNRYYLZHDX-QFBILLFUSA-N 1 2 358.438 2.828 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](C(C)C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001122394333 1023239682 /nfs/dbraw/zinc/23/96/82/1023239682.db2.gz AESDSBUINASFKN-SQGPQFPESA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](C(C)C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001122394333 1023239689 /nfs/dbraw/zinc/23/96/89/1023239689.db2.gz AESDSBUINASFKN-SQGPQFPESA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CCCC(C)(C)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001122482671 1023296807 /nfs/dbraw/zinc/29/68/07/1023296807.db2.gz OJFMARXFUXSTKW-OXJNMPFZSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCCC(C)(C)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001122482671 1023296811 /nfs/dbraw/zinc/29/68/11/1023296811.db2.gz OJFMARXFUXSTKW-OXJNMPFZSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001122568281 1023343817 /nfs/dbraw/zinc/34/38/17/1023343817.db2.gz ZKNQPMMQCXUWDZ-DLBZAZTESA-N 1 2 361.534 2.683 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccsc1)C2 ZINC001111283280 1023365339 /nfs/dbraw/zinc/36/53/39/1023365339.db2.gz KUWAHFKBSBBPME-QRQLOZEOSA-N 1 2 367.474 2.920 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccsc1)C2 ZINC001111283280 1023365347 /nfs/dbraw/zinc/36/53/47/1023365347.db2.gz KUWAHFKBSBBPME-QRQLOZEOSA-N 1 2 367.474 2.920 20 30 FFEDLO CCOc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)c2ccc3c(c2)CCO3)cc1 ZINC000753822011 1023386051 /nfs/dbraw/zinc/38/60/51/1023386051.db2.gz FWACEIVGPXEWKG-ZDUSSCGKSA-N 1 2 369.421 2.684 20 30 FFEDLO NC(=[NH+]OCc1nnc(-c2cccc(F)c2)o1)c1ccc2c(c1)CCO2 ZINC000753830372 1023386851 /nfs/dbraw/zinc/38/68/51/1023386851.db2.gz RCTCAJLQWILBCT-UHFFFAOYSA-N 1 2 354.341 2.648 20 30 FFEDLO NC(=[NH+]O[C@@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc2c(c1)CCO2 ZINC000753830545 1023387290 /nfs/dbraw/zinc/38/72/90/1023387290.db2.gz SSHUJLVLAYDFFT-GOSISDBHSA-N 1 2 369.396 2.593 20 30 FFEDLO O=[N+]([O-])c1ccc(-n2cccc2C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1 ZINC000753931507 1023401576 /nfs/dbraw/zinc/40/15/76/1023401576.db2.gz ZLLURBUERZMMKH-CALCHBBNSA-N 1 2 352.398 2.579 20 30 FFEDLO C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC[N@H+]3C)n2Cc2cccs2)C1 ZINC001122913966 1023551079 /nfs/dbraw/zinc/55/10/79/1023551079.db2.gz CDUJSFHNYXNEOB-WBVHZDCISA-N 1 2 373.526 2.936 20 30 FFEDLO C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2Cc2cccs2)C1 ZINC001122913966 1023551084 /nfs/dbraw/zinc/55/10/84/1023551084.db2.gz CDUJSFHNYXNEOB-WBVHZDCISA-N 1 2 373.526 2.936 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001490848980 1023555290 /nfs/dbraw/zinc/55/52/90/1023555290.db2.gz OZKBZBWARRPJDI-SUMDDJOVSA-N 1 2 364.449 2.618 20 30 FFEDLO CN(C)c1[nH+]ccc2c1CN(c1cc(Br)cnc1C#N)CC2 ZINC001120994547 1023560382 /nfs/dbraw/zinc/56/03/82/1023560382.db2.gz JXOCJSRNEMPLIV-UHFFFAOYSA-N 1 2 358.243 2.739 20 30 FFEDLO N#C[C@@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2C[C@H]2CCCCO2)C1 ZINC001123199636 1023682914 /nfs/dbraw/zinc/68/29/14/1023682914.db2.gz AUKBZJHRKUIFCB-ZWKOTPCHSA-N 1 2 372.517 2.573 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc(Cc3[nH+]ccn3Cc3ccccc3)n2C)C1 ZINC001121357249 1023727510 /nfs/dbraw/zinc/72/75/10/1023727510.db2.gz KKNMMCBWJUUSAK-QGZVFWFLSA-N 1 2 360.465 2.500 20 30 FFEDLO C=CCn1c([C@@H](CC)[C@@H](C)O)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001121489636 1023805641 /nfs/dbraw/zinc/80/56/41/1023805641.db2.gz NYVUCMSLTZQSNO-WBVHZDCISA-N 1 2 370.501 2.814 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(CCC)Cc1ccccc1F ZINC001121609548 1023879103 /nfs/dbraw/zinc/87/91/03/1023879103.db2.gz MGTYJQYIDYOLQO-SJLPKXTDSA-N 1 2 373.476 2.757 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(CCC)Cc1ccccc1F ZINC001121609548 1023879114 /nfs/dbraw/zinc/87/91/14/1023879114.db2.gz MGTYJQYIDYOLQO-SJLPKXTDSA-N 1 2 373.476 2.757 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(CCOC)Cc1ccco1 ZINC001121612726 1023881093 /nfs/dbraw/zinc/88/10/93/1023881093.db2.gz NZEHGXRPZUQJSY-QGZVFWFLSA-N 1 2 359.474 2.867 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(CCOC)Cc1ccco1 ZINC001121612726 1023881097 /nfs/dbraw/zinc/88/10/97/1023881097.db2.gz NZEHGXRPZUQJSY-QGZVFWFLSA-N 1 2 359.474 2.867 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@](OC)(C(F)(F)F)C1 ZINC001121613381 1023881407 /nfs/dbraw/zinc/88/14/07/1023881407.db2.gz XPBBPEAOXFBEFM-XJKSGUPXSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@](OC)(C(F)(F)F)C1 ZINC001121613381 1023881414 /nfs/dbraw/zinc/88/14/14/1023881414.db2.gz XPBBPEAOXFBEFM-XJKSGUPXSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCn1c(C[C@@H](C)SCC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001121655781 1023907447 /nfs/dbraw/zinc/90/74/47/1023907447.db2.gz JYKRSKAICMJPKX-MRXNPFEDSA-N 1 2 372.542 2.870 20 30 FFEDLO C=CCn1c(COCC2CC2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001121684277 1023925155 /nfs/dbraw/zinc/92/51/55/1023925155.db2.gz HWQZCBNVBVROPN-UHFFFAOYSA-N 1 2 368.485 2.867 20 30 FFEDLO C=CCn1c(C2SC=CC2=O)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001121708962 1023938607 /nfs/dbraw/zinc/93/86/07/1023938607.db2.gz HNKXRVFPJVTTJK-UHFFFAOYSA-N 1 2 368.466 2.620 20 30 FFEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nc(C(C)C)no4)[C@H]3C2)CCC1 ZINC001222877441 1033186914 /nfs/dbraw/zinc/18/69/14/1033186914.db2.gz UEEUMDBDLSPKBF-SJORKVTESA-N 1 2 370.497 2.809 20 30 FFEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nc(C(C)C)no4)[C@H]3C2)CCC1 ZINC001222877441 1033186917 /nfs/dbraw/zinc/18/69/17/1033186917.db2.gz UEEUMDBDLSPKBF-SJORKVTESA-N 1 2 370.497 2.809 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3c(C)noc3CC)C[C@@H]21 ZINC001218518492 1033197335 /nfs/dbraw/zinc/19/73/35/1033197335.db2.gz XGGRPVNXAUYUBX-HHXXYDBFSA-N 1 2 361.486 2.559 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3c(C)noc3CC)C[C@@H]21 ZINC001218518492 1033197343 /nfs/dbraw/zinc/19/73/43/1033197343.db2.gz XGGRPVNXAUYUBX-HHXXYDBFSA-N 1 2 361.486 2.559 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001101337669 1024486645 /nfs/dbraw/zinc/48/66/45/1024486645.db2.gz HXGAWHBKXJBMHX-CLCXKQKWSA-N 1 2 364.921 2.956 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001101337669 1024486652 /nfs/dbraw/zinc/48/66/52/1024486652.db2.gz HXGAWHBKXJBMHX-CLCXKQKWSA-N 1 2 364.921 2.956 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C(C)C)[nH]4)C[C@@]3(C)C2)CC1 ZINC001101354284 1024531041 /nfs/dbraw/zinc/53/10/41/1024531041.db2.gz YWOGXOJQQZPFFG-UZLBHIALSA-N 1 2 371.529 2.955 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C(C)C)[nH]4)C[C@@]3(C)C2)CC1 ZINC001101354284 1024531050 /nfs/dbraw/zinc/53/10/50/1024531050.db2.gz YWOGXOJQQZPFFG-UZLBHIALSA-N 1 2 371.529 2.955 20 30 FFEDLO N#Cc1ccc(F)cc1COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000759360520 1024580693 /nfs/dbraw/zinc/58/06/93/1024580693.db2.gz ASQUXMMJEFVUOY-IBGZPJMESA-N 1 2 354.381 2.642 20 30 FFEDLO N#Cc1ccc(F)cc1COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000759360520 1024580701 /nfs/dbraw/zinc/58/07/01/1024580701.db2.gz ASQUXMMJEFVUOY-IBGZPJMESA-N 1 2 354.381 2.642 20 30 FFEDLO C[C@@H](NC(=O)CO[NH+]=C(N)Cc1cccnc1)c1ccc2c(c1)CCCC2 ZINC000193684886 1024642268 /nfs/dbraw/zinc/64/22/68/1024642268.db2.gz CYWJVXNUIKURGW-OAHLLOKOSA-N 1 2 366.465 2.669 20 30 FFEDLO C#CCCCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ncc(Cl)n2C)C[C@H]1C ZINC001102229067 1025614887 /nfs/dbraw/zinc/61/48/87/1025614887.db2.gz SBXWHLASZOMJPX-HZPDHXFCSA-N 1 2 364.921 2.841 20 30 FFEDLO C#CCCCCCC(=O)NC[C@@H]1C[N@H+](Cc2ncc(Cl)n2C)C[C@H]1C ZINC001102229067 1025614891 /nfs/dbraw/zinc/61/48/91/1025614891.db2.gz SBXWHLASZOMJPX-HZPDHXFCSA-N 1 2 364.921 2.841 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2ncnn2CC(C)C)C[C@H]1C ZINC001102263073 1025661143 /nfs/dbraw/zinc/66/11/43/1025661143.db2.gz UWBGLDILCRQSIK-KZNAEPCWSA-N 1 2 361.534 2.721 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ncnn2CC(C)C)C[C@H]1C ZINC001102263073 1025661152 /nfs/dbraw/zinc/66/11/52/1025661152.db2.gz UWBGLDILCRQSIK-KZNAEPCWSA-N 1 2 361.534 2.721 20 30 FFEDLO C[C@@H]1Cc2ccccc2C[N@@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000246801597 1026458806 /nfs/dbraw/zinc/45/88/06/1026458806.db2.gz BCASKSCBYKHKDW-QRQCRPRQSA-N 1 2 374.444 2.730 20 30 FFEDLO C[C@@H]1Cc2ccccc2C[N@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000246801597 1026458811 /nfs/dbraw/zinc/45/88/11/1026458811.db2.gz BCASKSCBYKHKDW-QRQCRPRQSA-N 1 2 374.444 2.730 20 30 FFEDLO C#CCCCCC(=O)NCC[C@@H]1C[N@H+](Cc2noc(C(C)C)n2)C[C@H]1C ZINC001102883392 1026750179 /nfs/dbraw/zinc/75/01/79/1026750179.db2.gz PFZZPQRJQROIAO-IAGOWNOFSA-N 1 2 360.502 2.961 20 30 FFEDLO C#CCCCCC(=O)NCC[C@@H]1C[N@@H+](Cc2noc(C(C)C)n2)C[C@H]1C ZINC001102883392 1026750188 /nfs/dbraw/zinc/75/01/88/1026750188.db2.gz PFZZPQRJQROIAO-IAGOWNOFSA-N 1 2 360.502 2.961 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2csnn2)C[C@H]1C ZINC001103030281 1026897972 /nfs/dbraw/zinc/89/79/72/1026897972.db2.gz ZKFCMMRUAKUFLW-DGCLKSJQSA-N 1 2 356.923 2.891 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](Cc2csnn2)C[C@H]1C ZINC001103030281 1026897978 /nfs/dbraw/zinc/89/79/78/1026897978.db2.gz ZKFCMMRUAKUFLW-DGCLKSJQSA-N 1 2 356.923 2.891 20 30 FFEDLO C=C(C)CCC(=O)NCC[C@@H]1C[N@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001103043305 1026910782 /nfs/dbraw/zinc/91/07/82/1026910782.db2.gz UBAGSNYLZHDMSS-HUUCEWRRSA-N 1 2 366.531 2.867 20 30 FFEDLO C=C(C)CCC(=O)NCC[C@@H]1C[N@@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001103043305 1026910792 /nfs/dbraw/zinc/91/07/92/1026910792.db2.gz UBAGSNYLZHDMSS-HUUCEWRRSA-N 1 2 366.531 2.867 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+](CN3C(=O)[C@]4(CCCO4)[C@H]3C3CC3)CC2)cc1 ZINC000840037888 1026924299 /nfs/dbraw/zinc/92/42/99/1026924299.db2.gz MEADEIUUKNDUPC-IRLDBZIGSA-N 1 2 363.461 2.775 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C(=O)[C@]4(CCCO4)[C@H]3C3CC3)CC2)cc1 ZINC000840037888 1026924302 /nfs/dbraw/zinc/92/43/02/1026924302.db2.gz MEADEIUUKNDUPC-IRLDBZIGSA-N 1 2 363.461 2.775 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](CN3C[C@@H]4CCC[C@@H]4C3=O)CC2)c(F)c1 ZINC000840071245 1026943528 /nfs/dbraw/zinc/94/35/28/1026943528.db2.gz MVRUBCCOVAIOCY-RDJZCZTQSA-N 1 2 357.429 2.757 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nn1 ZINC000640917722 1027029841 /nfs/dbraw/zinc/02/98/41/1027029841.db2.gz XSNCXDOWSUROEN-HUUCEWRRSA-N 1 2 365.437 2.576 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)Nc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000840306886 1027040623 /nfs/dbraw/zinc/04/06/23/1027040623.db2.gz YPMYJPGCMJSPEG-YTQUADARSA-N 1 2 350.466 2.730 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)Nc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000840306886 1027040629 /nfs/dbraw/zinc/04/06/29/1027040629.db2.gz YPMYJPGCMJSPEG-YTQUADARSA-N 1 2 350.466 2.730 20 30 FFEDLO CSc1nc(C[N@@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)ccc1C#N ZINC001141932370 1027173253 /nfs/dbraw/zinc/17/32/53/1027173253.db2.gz ZPYLOFWPLVYYEF-OCCSQVGLSA-N 1 2 363.380 2.902 20 30 FFEDLO CSc1nc(C[N@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)ccc1C#N ZINC001141932370 1027173257 /nfs/dbraw/zinc/17/32/57/1027173257.db2.gz ZPYLOFWPLVYYEF-OCCSQVGLSA-N 1 2 363.380 2.902 20 30 FFEDLO CSc1nc(C[N@@H+]2CCC[C@@H](Oc3nccnc3C)C2)ccc1C#N ZINC001141945715 1027199891 /nfs/dbraw/zinc/19/98/91/1027199891.db2.gz JXBDHMVUQJWRNQ-MRXNPFEDSA-N 1 2 355.467 2.817 20 30 FFEDLO CSc1nc(C[N@H+]2CCC[C@@H](Oc3nccnc3C)C2)ccc1C#N ZINC001141945715 1027199906 /nfs/dbraw/zinc/19/99/06/1027199906.db2.gz JXBDHMVUQJWRNQ-MRXNPFEDSA-N 1 2 355.467 2.817 20 30 FFEDLO CC[C@@H](C)[C@@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])OC ZINC000840703589 1027221318 /nfs/dbraw/zinc/22/13/18/1027221318.db2.gz YQHSBXPGTMITCP-CXAGYDPISA-N 1 2 356.470 2.707 20 30 FFEDLO CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1nc(Cl)c(C#N)s1 ZINC001103365092 1027320517 /nfs/dbraw/zinc/32/05/17/1027320517.db2.gz XRXIXFFGMZGXTQ-OPRDCNLKSA-N 1 2 364.862 2.502 20 30 FFEDLO CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1nc(Cl)c(C#N)s1 ZINC001103365092 1027320535 /nfs/dbraw/zinc/32/05/35/1027320535.db2.gz XRXIXFFGMZGXTQ-OPRDCNLKSA-N 1 2 364.862 2.502 20 30 FFEDLO CCOC(=O)C[NH+]1CCC(Nc2nc(C)c(Cl)c(C)c2C#N)CC1 ZINC001161081831 1028000503 /nfs/dbraw/zinc/00/05/03/1028000503.db2.gz JSUARRZFONXROB-UHFFFAOYSA-N 1 2 350.850 2.663 20 30 FFEDLO N#C[C@@H](c1ccc(NC2CN(c3cccc[nH+]3)C2)nn1)c1ccccc1F ZINC001161320692 1028130253 /nfs/dbraw/zinc/13/02/53/1028130253.db2.gz NVDSVECXTMXHBX-MRXNPFEDSA-N 1 2 360.396 2.967 20 30 FFEDLO COc1ccc(Cn2c[nH+]cc2CNc2nnc(Cl)cc2C#N)cc1 ZINC001161507304 1028207511 /nfs/dbraw/zinc/20/75/11/1028207511.db2.gz LCFAREDGJWFJCB-UHFFFAOYSA-N 1 2 354.801 2.867 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(CC)o1 ZINC001155724994 1028875429 /nfs/dbraw/zinc/87/54/29/1028875429.db2.gz YOSBFGRJRBXHNP-AYBZRNKSSA-N 1 2 363.502 2.935 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(CC)o1 ZINC001155724994 1028875441 /nfs/dbraw/zinc/87/54/41/1028875441.db2.gz YOSBFGRJRBXHNP-AYBZRNKSSA-N 1 2 363.502 2.935 20 30 FFEDLO COC(=O)c1c(C)cc(C)[nH+]c1N1CCN(c2ccccc2C#N)CC1 ZINC001163613440 1028990921 /nfs/dbraw/zinc/99/09/21/1028990921.db2.gz ONWBZPCTUHONJT-UHFFFAOYSA-N 1 2 350.422 2.683 20 30 FFEDLO CC[C@@H](OC)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001111644215 1029028611 /nfs/dbraw/zinc/02/86/11/1029028611.db2.gz OALNIUVYABNPJU-HQRMLTQVSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H](OC)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001111644215 1029028627 /nfs/dbraw/zinc/02/86/27/1029028627.db2.gz OALNIUVYABNPJU-HQRMLTQVSA-N 1 2 359.445 2.593 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2c(F)cccc2Br)C[C@H]1C ZINC001206660093 1029066047 /nfs/dbraw/zinc/06/60/47/1029066047.db2.gz WSAOHZKXQZGVGU-UEKVPHQBSA-N 1 2 368.250 2.684 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2c(F)cccc2Br)C[C@H]1C ZINC001206660093 1029066059 /nfs/dbraw/zinc/06/60/59/1029066059.db2.gz WSAOHZKXQZGVGU-UEKVPHQBSA-N 1 2 368.250 2.684 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccn(C3CCCC3)n1)C2 ZINC001111666433 1029091526 /nfs/dbraw/zinc/09/15/26/1029091526.db2.gz BADNKPRBYDJBCL-GUXCAODWSA-N 1 2 355.486 2.629 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccn(C3CCCC3)n1)C2 ZINC001111666433 1029091542 /nfs/dbraw/zinc/09/15/42/1029091542.db2.gz BADNKPRBYDJBCL-GUXCAODWSA-N 1 2 355.486 2.629 20 30 FFEDLO N#Cc1cc(Cl)cc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n1 ZINC001163896930 1029108163 /nfs/dbraw/zinc/10/81/63/1029108163.db2.gz LLFFKTQXCZPABG-UHFFFAOYSA-N 1 2 356.813 2.658 20 30 FFEDLO CO[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2)C1CC1 ZINC001111730993 1029259805 /nfs/dbraw/zinc/25/98/05/1029259805.db2.gz JBZSMGIDGQILQE-DSKINZAPSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2)C1CC1 ZINC001111730993 1029259816 /nfs/dbraw/zinc/25/98/16/1029259816.db2.gz JBZSMGIDGQILQE-DSKINZAPSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1ccc2c(c1)CCN(c1cc(-c3cc4c([nH]3)CCNC4=O)cc[nH+]1)C2 ZINC001164481710 1029291633 /nfs/dbraw/zinc/29/16/33/1029291633.db2.gz JLDQFDHGQUBCKA-UHFFFAOYSA-N 1 2 369.428 2.797 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(C(C)(C)C)nn1)C2 ZINC001111765175 1029382345 /nfs/dbraw/zinc/38/23/45/1029382345.db2.gz XQLYSAAFRGEEGT-JXFKEZNVSA-N 1 2 359.518 2.860 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(C(C)(C)C)nn1)C2 ZINC001111765175 1029382361 /nfs/dbraw/zinc/38/23/61/1029382361.db2.gz XQLYSAAFRGEEGT-JXFKEZNVSA-N 1 2 359.518 2.860 20 30 FFEDLO CC(C)(C)OC(=O)NC1(C)CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000781975956 1029507522 /nfs/dbraw/zinc/50/75/22/1029507522.db2.gz LDHYUQFRKVSGNR-UHFFFAOYSA-N 1 2 372.469 2.876 20 30 FFEDLO N#Cc1c(F)cccc1NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001111922074 1029745149 /nfs/dbraw/zinc/74/51/49/1029745149.db2.gz TYHBHBMQJMCZAH-CHWSQXEVSA-N 1 2 353.401 2.675 20 30 FFEDLO N#Cc1c(F)cccc1NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001111922074 1029745157 /nfs/dbraw/zinc/74/51/57/1029745157.db2.gz TYHBHBMQJMCZAH-CHWSQXEVSA-N 1 2 353.401 2.675 20 30 FFEDLO N#Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H]3CC(=O)N4Cc3cccnc3)c2c1 ZINC001165571783 1030029851 /nfs/dbraw/zinc/02/98/51/1030029851.db2.gz CPDLTZCVZRRTJU-WOJBJXKFSA-N 1 2 369.428 2.881 20 30 FFEDLO Cc1ccc(Nc2c(C#N)cnn2-c2ccc(S(C)(=O)=O)cc2)c(C)[nH+]1 ZINC001203369234 1030681092 /nfs/dbraw/zinc/68/10/92/1030681092.db2.gz LUPLSIWEYPSCKK-UHFFFAOYSA-N 1 2 367.434 2.903 20 30 FFEDLO COc1cc(OC)c(C[NH+]2CCN(c3cccc(C#N)c3)CC2)c(OC)c1 ZINC001203517585 1030739770 /nfs/dbraw/zinc/73/97/70/1030739770.db2.gz UMFOQWWXJQYYPH-UHFFFAOYSA-N 1 2 367.449 2.906 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001115087540 1031025761 /nfs/dbraw/zinc/02/57/61/1031025761.db2.gz VDNWXLMSMUOWIX-XKQJLSEDSA-N 1 2 358.486 2.950 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc(O)c(OCC)c1)CC2 ZINC001204131429 1031120139 /nfs/dbraw/zinc/12/01/39/1031120139.db2.gz PGYQWAQESXNERY-UHFFFAOYSA-N 1 2 357.454 2.785 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc(O)c(OCC)c1)CC2 ZINC001204131429 1031120145 /nfs/dbraw/zinc/12/01/45/1031120145.db2.gz PGYQWAQESXNERY-UHFFFAOYSA-N 1 2 357.454 2.785 20 30 FFEDLO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cnc3ccc(Cl)nn13)C2 ZINC001142987821 1031124677 /nfs/dbraw/zinc/12/46/77/1031124677.db2.gz KYFCJUWVPZYYTI-IBGZPJMESA-N 1 2 373.888 2.916 20 30 FFEDLO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1cnc3ccc(Cl)nn13)C2 ZINC001142987821 1031124685 /nfs/dbraw/zinc/12/46/85/1031124685.db2.gz KYFCJUWVPZYYTI-IBGZPJMESA-N 1 2 373.888 2.916 20 30 FFEDLO CCOc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(O)c1 ZINC000798275539 1031354039 /nfs/dbraw/zinc/35/40/39/1031354039.db2.gz RUKPTLSALJQZDL-HOCLYGCPSA-N 1 2 361.442 2.640 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001223315057 1033386693 /nfs/dbraw/zinc/38/66/93/1033386693.db2.gz JQOIECATHYGZPZ-UXLLHSPISA-N 1 2 358.486 2.972 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001223315057 1033386704 /nfs/dbraw/zinc/38/67/04/1033386704.db2.gz JQOIECATHYGZPZ-UXLLHSPISA-N 1 2 358.486 2.972 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)c(C)n1)C2 ZINC001276908948 1033537962 /nfs/dbraw/zinc/53/79/62/1033537962.db2.gz GPTBFJJMCYJOJL-LJQANCHMSA-N 1 2 363.889 2.670 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)c(C)n1)C2 ZINC001276908948 1033537974 /nfs/dbraw/zinc/53/79/74/1033537974.db2.gz GPTBFJJMCYJOJL-LJQANCHMSA-N 1 2 363.889 2.670 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)c2ccc(F)cc2F)C[C@@H]1O ZINC001219490754 1033666254 /nfs/dbraw/zinc/66/62/54/1033666254.db2.gz XHDVYSMAFJBVBD-QYZOEREBSA-N 1 2 364.436 2.771 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)c2ccc(F)cc2F)C[C@@H]1O ZINC001219490754 1033666261 /nfs/dbraw/zinc/66/62/61/1033666261.db2.gz XHDVYSMAFJBVBD-QYZOEREBSA-N 1 2 364.436 2.771 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CCc2cc(Cl)ccc2Cl)C[C@@H]1O ZINC001219539340 1033680477 /nfs/dbraw/zinc/68/04/77/1033680477.db2.gz HBNAJYFDZVIPEK-SJORKVTESA-N 1 2 369.292 2.501 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CCc2cc(Cl)ccc2Cl)C[C@@H]1O ZINC001219539340 1033680480 /nfs/dbraw/zinc/68/04/80/1033680480.db2.gz HBNAJYFDZVIPEK-SJORKVTESA-N 1 2 369.292 2.501 20 30 FFEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(F)c(F)c1O ZINC001276945241 1033712446 /nfs/dbraw/zinc/71/24/46/1033712446.db2.gz JKUZDBCLWQZYPS-IBGZPJMESA-N 1 2 363.408 2.931 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3c2cc(F)cc3F)C[C@@H]1O ZINC001219706982 1033775542 /nfs/dbraw/zinc/77/55/42/1033775542.db2.gz XYXDDCQETDYONL-SQNIBIBYSA-N 1 2 364.436 2.716 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCc3c2cc(F)cc3F)C[C@@H]1O ZINC001219706982 1033775554 /nfs/dbraw/zinc/77/55/54/1033775554.db2.gz XYXDDCQETDYONL-SQNIBIBYSA-N 1 2 364.436 2.716 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cnc(Cl)s3)[C@H]2C1 ZINC001224280742 1033824951 /nfs/dbraw/zinc/82/49/51/1033824951.db2.gz LZSRYCYEKAWYNY-GUTXKFCHSA-N 1 2 369.918 2.810 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnc(Cl)s3)[C@H]2C1 ZINC001224280742 1033824966 /nfs/dbraw/zinc/82/49/66/1033824966.db2.gz LZSRYCYEKAWYNY-GUTXKFCHSA-N 1 2 369.918 2.810 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+](Cc3n[nH]c4cc(F)ccc34)CC2)C1=O ZINC001276973071 1033892582 /nfs/dbraw/zinc/89/25/82/1033892582.db2.gz PWUBSXOWPIWIGW-HXUWFJFHSA-N 1 2 354.429 2.540 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+](Cc3n[nH]c4cc(F)ccc34)CC2)C1=O ZINC001276973071 1033892599 /nfs/dbraw/zinc/89/25/99/1033892599.db2.gz PWUBSXOWPIWIGW-HXUWFJFHSA-N 1 2 354.429 2.540 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2c(Cl)nccc2N(C)C)C1=O ZINC001276810666 1033989162 /nfs/dbraw/zinc/98/91/62/1033989162.db2.gz WEUMIRIHZSEQLY-IBGZPJMESA-N 1 2 362.905 2.944 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2c(Cl)nccc2N(C)C)C1=O ZINC001276810666 1033989173 /nfs/dbraw/zinc/98/91/73/1033989173.db2.gz WEUMIRIHZSEQLY-IBGZPJMESA-N 1 2 362.905 2.944 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1O ZINC001220198183 1034039263 /nfs/dbraw/zinc/03/92/63/1034039263.db2.gz GPXRKAPWSNWPTI-BEVDRBHNSA-N 1 2 369.465 2.605 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1O ZINC001220198183 1034039275 /nfs/dbraw/zinc/03/92/75/1034039275.db2.gz GPXRKAPWSNWPTI-BEVDRBHNSA-N 1 2 369.465 2.605 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001220199114 1034042303 /nfs/dbraw/zinc/04/23/03/1034042303.db2.gz IHAZQWHBFVBLDF-XKQJLSEDSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001220199114 1034042317 /nfs/dbraw/zinc/04/23/17/1034042317.db2.gz IHAZQWHBFVBLDF-XKQJLSEDSA-N 1 2 370.415 2.969 20 30 FFEDLO C[C@H](CC1CCCCC1)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220468379 1034196254 /nfs/dbraw/zinc/19/62/54/1034196254.db2.gz YWBMMCMAEOEXQI-QIJUGHKUSA-N 1 2 368.521 2.806 20 30 FFEDLO C[C@H](CC1CCCCC1)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220468379 1034196261 /nfs/dbraw/zinc/19/62/61/1034196261.db2.gz YWBMMCMAEOEXQI-QIJUGHKUSA-N 1 2 368.521 2.806 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)CCC2CCCCC2)[C@@H](O)C1 ZINC001220893922 1034444246 /nfs/dbraw/zinc/44/42/46/1034444246.db2.gz YATKEVROIMWXRC-UXHICEINSA-N 1 2 355.482 2.580 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)CCC2CCCCC2)[C@@H](O)C1 ZINC001220893922 1034444252 /nfs/dbraw/zinc/44/42/52/1034444252.db2.gz YATKEVROIMWXRC-UXHICEINSA-N 1 2 355.482 2.580 20 30 FFEDLO CCC[C@@H](CC(C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001221126238 1034563490 /nfs/dbraw/zinc/56/34/90/1034563490.db2.gz DEDDTSZNKCDQKW-QGTPRVQTSA-N 1 2 363.527 2.743 20 30 FFEDLO CCC[C@@H](CC(C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001221126238 1034563494 /nfs/dbraw/zinc/56/34/94/1034563494.db2.gz DEDDTSZNKCDQKW-QGTPRVQTSA-N 1 2 363.527 2.743 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccnn3[C@@H]3CCCCO3)C2)CC1 ZINC001138774756 1034644295 /nfs/dbraw/zinc/64/42/95/1034644295.db2.gz KCQYJJYFHLDHSO-SFHVURJKSA-N 1 2 374.485 2.803 20 30 FFEDLO CC(C)SCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221284449 1034645343 /nfs/dbraw/zinc/64/53/43/1034645343.db2.gz YMAYKUNYJLFDLO-SJLPKXTDSA-N 1 2 361.486 2.872 20 30 FFEDLO CC(C)SCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221284449 1034645349 /nfs/dbraw/zinc/64/53/49/1034645349.db2.gz YMAYKUNYJLFDLO-SJLPKXTDSA-N 1 2 361.486 2.872 20 30 FFEDLO N#CCSCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC001221289707 1034653514 /nfs/dbraw/zinc/65/35/14/1034653514.db2.gz XVPXTVNANZNFSJ-CZUORRHYSA-N 1 2 367.877 2.769 20 30 FFEDLO N#CCSCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC001221289707 1034653517 /nfs/dbraw/zinc/65/35/17/1034653517.db2.gz XVPXTVNANZNFSJ-CZUORRHYSA-N 1 2 367.877 2.769 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)cc3F)C[C@H]21 ZINC001221421740 1034733566 /nfs/dbraw/zinc/73/35/66/1034733566.db2.gz GGOJTJMVZOQYTO-IDHHARJASA-N 1 2 364.436 2.979 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)cc3F)C[C@H]21 ZINC001221421740 1034733580 /nfs/dbraw/zinc/73/35/80/1034733580.db2.gz GGOJTJMVZOQYTO-IDHHARJASA-N 1 2 364.436 2.979 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)c(C)s3)C[C@H]21 ZINC001221422151 1034735857 /nfs/dbraw/zinc/73/58/57/1034735857.db2.gz RUSRAXNRXRGSBZ-USXIJHARSA-N 1 2 363.527 2.774 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)c(C)s3)C[C@H]21 ZINC001221422151 1034735868 /nfs/dbraw/zinc/73/58/68/1034735868.db2.gz RUSRAXNRXRGSBZ-USXIJHARSA-N 1 2 363.527 2.774 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(F)c3Cl)C[C@H]21 ZINC001221441356 1034766887 /nfs/dbraw/zinc/76/68/87/1034766887.db2.gz CCSBRMNKJKXFNJ-CZUORRHYSA-N 1 2 352.837 2.714 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+](Cc3cccc(F)c3Cl)C[C@H]21 ZINC001221441356 1034766900 /nfs/dbraw/zinc/76/69/00/1034766900.db2.gz CCSBRMNKJKXFNJ-CZUORRHYSA-N 1 2 352.837 2.714 20 30 FFEDLO C=C(C)C(=O)OC[C@H](C)Oc1n[nH]c2c1CC[N@H+](Cc1ccccc1)C2 ZINC001226704271 1034797479 /nfs/dbraw/zinc/79/74/79/1034797479.db2.gz JENLYAQLGCZPMP-HNNXBMFYSA-N 1 2 355.438 2.855 20 30 FFEDLO C=C(C)C(=O)OC[C@H](C)Oc1n[nH]c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001226704271 1034797486 /nfs/dbraw/zinc/79/74/86/1034797486.db2.gz JENLYAQLGCZPMP-HNNXBMFYSA-N 1 2 355.438 2.855 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221488286 1034813343 /nfs/dbraw/zinc/81/33/43/1034813343.db2.gz AYXVUNKWQCHZRM-UYAOXDASSA-N 1 2 353.441 2.924 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221488286 1034813356 /nfs/dbraw/zinc/81/33/56/1034813356.db2.gz AYXVUNKWQCHZRM-UYAOXDASSA-N 1 2 353.441 2.924 20 30 FFEDLO C=CCOc1ccccc1C[N@@H+]1CCc2onc(CN3CCOCC3)c2C1 ZINC001139027744 1034894468 /nfs/dbraw/zinc/89/44/68/1034894468.db2.gz AIADUGKNKVHFCL-UHFFFAOYSA-N 1 2 369.465 2.630 20 30 FFEDLO C=CCOc1ccccc1C[N@H+]1CCc2onc(CN3CCOCC3)c2C1 ZINC001139027744 1034894472 /nfs/dbraw/zinc/89/44/72/1034894472.db2.gz AIADUGKNKVHFCL-UHFFFAOYSA-N 1 2 369.465 2.630 20 30 FFEDLO COCC1(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)CCC1 ZINC001221698379 1034993701 /nfs/dbraw/zinc/99/37/01/1034993701.db2.gz BVIJBOJPQPMSBB-UYAOXDASSA-N 1 2 370.468 2.527 20 30 FFEDLO COCC1(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)CCC1 ZINC001221698379 1034993705 /nfs/dbraw/zinc/99/37/05/1034993705.db2.gz BVIJBOJPQPMSBB-UYAOXDASSA-N 1 2 370.468 2.527 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc3nsnc3c1)CC2 ZINC001139211187 1035007799 /nfs/dbraw/zinc/00/77/99/1035007799.db2.gz JGFPZKFSOUHROR-UHFFFAOYSA-N 1 2 355.467 2.686 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc3nsnc3c1)CC2 ZINC001139211187 1035007808 /nfs/dbraw/zinc/00/78/08/1035007808.db2.gz JGFPZKFSOUHROR-UHFFFAOYSA-N 1 2 355.467 2.686 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001221760412 1035044815 /nfs/dbraw/zinc/04/48/15/1035044815.db2.gz FIHYAKROKKKZBW-IIAWOOMASA-N 1 2 366.456 2.993 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001221760412 1035044823 /nfs/dbraw/zinc/04/48/23/1035044823.db2.gz FIHYAKROKKKZBW-IIAWOOMASA-N 1 2 366.456 2.993 20 30 FFEDLO CCOC(=O)c1[nH]c2ccccc2c1C[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC001139464664 1035122347 /nfs/dbraw/zinc/12/23/47/1035122347.db2.gz ABXJZADTFBYHKT-UHFFFAOYSA-N 1 2 369.421 2.623 20 30 FFEDLO COC(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)cc1 ZINC001139529607 1035149146 /nfs/dbraw/zinc/14/91/46/1035149146.db2.gz YKOCNJBHTMFEPK-UHFFFAOYSA-N 1 2 353.397 2.806 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3COC[C@H]32)c1 ZINC001139648188 1035188526 /nfs/dbraw/zinc/18/85/26/1035188526.db2.gz ZEGDPSAZRVLGSR-DFQSSKMNSA-N 1 2 353.397 2.508 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@@H](OCc3cccnc3)[C@H]3COC[C@H]32)c1 ZINC001139648188 1035188528 /nfs/dbraw/zinc/18/85/28/1035188528.db2.gz ZEGDPSAZRVLGSR-DFQSSKMNSA-N 1 2 353.397 2.508 20 30 FFEDLO N#Cc1cccc(CN2CC[C@@]3(CCC[N@@H+]3Cc3ccns3)C2=O)c1 ZINC001277628107 1035495082 /nfs/dbraw/zinc/49/50/82/1035495082.db2.gz XWIXHKGFVPTILZ-IBGZPJMESA-N 1 2 352.463 2.782 20 30 FFEDLO N#Cc1cccc(CN2CC[C@@]3(CCC[N@H+]3Cc3ccns3)C2=O)c1 ZINC001277628107 1035495084 /nfs/dbraw/zinc/49/50/84/1035495084.db2.gz XWIXHKGFVPTILZ-IBGZPJMESA-N 1 2 352.463 2.782 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](Cc3c(C)cc(C)cc3O)C[C@@]2(F)C1=O ZINC001277204629 1035528367 /nfs/dbraw/zinc/52/83/67/1035528367.db2.gz RKXOIVAIXKPCQB-RBUKOAKNSA-N 1 2 350.409 2.660 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](Cc3c(C)cc(C)cc3O)C[C@@]2(F)C1=O ZINC001277204629 1035528373 /nfs/dbraw/zinc/52/83/73/1035528373.db2.gz RKXOIVAIXKPCQB-RBUKOAKNSA-N 1 2 350.409 2.660 20 30 FFEDLO C=C(C)CN1CC2(C[NH+](Cc3ccc4ccccc4c3O)C2)OCC1=O ZINC001277223691 1035628986 /nfs/dbraw/zinc/62/89/86/1035628986.db2.gz SCWVYGKNQNXUKG-UHFFFAOYSA-N 1 2 352.434 2.535 20 30 FFEDLO COc1cc2c(cc1OC1CCN(c3ncccc3C#N)CC1)C=[NH+]CC2 ZINC001228091966 1035925531 /nfs/dbraw/zinc/92/55/31/1035925531.db2.gz LRYVORNAWAIJJZ-UHFFFAOYSA-N 1 2 362.433 2.985 20 30 FFEDLO N#CCCCN1CCC2(CC[NH+](Cc3cc(Cl)cnc3F)CC2)C1=O ZINC001277269739 1035936498 /nfs/dbraw/zinc/93/64/98/1035936498.db2.gz QDIACZHBSIPYPZ-UHFFFAOYSA-N 1 2 364.852 2.992 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001232891536 1036135300 /nfs/dbraw/zinc/13/53/00/1036135300.db2.gz NDLLUSWNQRLVKA-HBFSDRIKSA-N 1 2 353.397 2.903 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001232891536 1036135304 /nfs/dbraw/zinc/13/53/04/1036135304.db2.gz NDLLUSWNQRLVKA-HBFSDRIKSA-N 1 2 353.397 2.903 20 30 FFEDLO Cc1ccc(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c(C#N)c1 ZINC001232968288 1036194292 /nfs/dbraw/zinc/19/42/92/1036194292.db2.gz GRRNTARWYSCBLA-KRWDZBQOSA-N 1 2 357.454 2.592 20 30 FFEDLO Cc1ccc(C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c(C#N)c1 ZINC001232968288 1036194299 /nfs/dbraw/zinc/19/42/99/1036194299.db2.gz GRRNTARWYSCBLA-KRWDZBQOSA-N 1 2 357.454 2.592 20 30 FFEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001233045751 1036290806 /nfs/dbraw/zinc/29/08/06/1036290806.db2.gz VGWDHPSHUQGEGB-AZUAARDMSA-N 1 2 370.428 2.871 20 30 FFEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001233045751 1036290820 /nfs/dbraw/zinc/29/08/20/1036290820.db2.gz VGWDHPSHUQGEGB-AZUAARDMSA-N 1 2 370.428 2.871 20 30 FFEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cc(C(=O)OCC)ccn1)CCO2 ZINC001233325494 1036532725 /nfs/dbraw/zinc/53/27/25/1036532725.db2.gz QOHDSVBEGBSLOP-GHTZIAJQSA-N 1 2 374.481 2.832 20 30 FFEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cc(C(=O)OCC)ccn1)CCO2 ZINC001233325494 1036532730 /nfs/dbraw/zinc/53/27/30/1036532730.db2.gz QOHDSVBEGBSLOP-GHTZIAJQSA-N 1 2 374.481 2.832 20 30 FFEDLO C[N@@H+]1CCO[C@@H](COc2ccccc2/C=N/N=C/c2ccccc2O)C1 ZINC001229293269 1036599253 /nfs/dbraw/zinc/59/92/53/1036599253.db2.gz BZTGHZCDEUTKHG-DQPKJXCQSA-N 1 2 353.422 2.555 20 30 FFEDLO C[N@H+]1CCO[C@@H](COc2ccccc2/C=N/N=C/c2ccccc2O)C1 ZINC001229293269 1036599261 /nfs/dbraw/zinc/59/92/61/1036599261.db2.gz BZTGHZCDEUTKHG-DQPKJXCQSA-N 1 2 353.422 2.555 20 30 FFEDLO CC[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2cn3cc(C#N)ccc3n2)C1=O ZINC001277377440 1036618290 /nfs/dbraw/zinc/61/82/90/1036618290.db2.gz JYSZYOANFDEHOC-QRWLVFNGSA-N 1 2 351.454 2.571 20 30 FFEDLO CC[C@@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2cn3cc(C#N)ccc3n2)C1=O ZINC001277377440 1036618299 /nfs/dbraw/zinc/61/82/99/1036618299.db2.gz JYSZYOANFDEHOC-QRWLVFNGSA-N 1 2 351.454 2.571 20 30 FFEDLO Cc1nnc(O[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)c1C ZINC001229439699 1036674809 /nfs/dbraw/zinc/67/48/09/1036674809.db2.gz QIJOPNPFLPEEIH-APWZRJJASA-N 1 2 352.438 2.633 20 30 FFEDLO Cc1nnc(O[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)c1C ZINC001229439699 1036674814 /nfs/dbraw/zinc/67/48/14/1036674814.db2.gz QIJOPNPFLPEEIH-APWZRJJASA-N 1 2 352.438 2.633 20 30 FFEDLO COC(=O)C1CC(Oc2nc(C)c(-c3ccc4[nH+]ccn4c3)cc2C#N)C1 ZINC001229766867 1036880195 /nfs/dbraw/zinc/88/01/95/1036880195.db2.gz UZUYFZKYRKUZLF-UHFFFAOYSA-N 1 2 362.389 2.907 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2csc(Br)c2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206952879 1036976359 /nfs/dbraw/zinc/97/63/59/1036976359.db2.gz IQYSKGMVEDKNHZ-BXUZGUMPSA-N 1 2 367.312 2.861 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2csc(Br)c2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206952879 1036976373 /nfs/dbraw/zinc/97/63/73/1036976373.db2.gz IQYSKGMVEDKNHZ-BXUZGUMPSA-N 1 2 367.312 2.861 20 30 FFEDLO COc1ccc(Br)c(F)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001234293071 1036986300 /nfs/dbraw/zinc/98/63/00/1036986300.db2.gz MEZRWLHSWWCJPB-LEGMNPEXSA-N 1 2 358.207 2.588 20 30 FFEDLO COc1ccc(Br)c(F)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001234293071 1036986314 /nfs/dbraw/zinc/98/63/14/1036986314.db2.gz MEZRWLHSWWCJPB-LEGMNPEXSA-N 1 2 358.207 2.588 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc(C)no2)C[C@H]1C ZINC001206966778 1036996395 /nfs/dbraw/zinc/99/63/95/1036996395.db2.gz XCOWXABYCVFGRS-HLLBOEOZSA-N 1 2 364.490 2.639 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc(C)no2)C[C@H]1C ZINC001206966778 1036996411 /nfs/dbraw/zinc/99/64/11/1036996411.db2.gz XCOWXABYCVFGRS-HLLBOEOZSA-N 1 2 364.490 2.639 20 30 FFEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(C#N)ccc1O ZINC001277849409 1036998977 /nfs/dbraw/zinc/99/89/77/1036998977.db2.gz BXPFKHFESNIQGH-HXUWFJFHSA-N 1 2 352.438 2.525 20 30 FFEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C#N)ccc1O ZINC001277849409 1036998993 /nfs/dbraw/zinc/99/89/93/1036998993.db2.gz BXPFKHFESNIQGH-HXUWFJFHSA-N 1 2 352.438 2.525 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)CCC3)C[C@H]1C ZINC001207189989 1037231307 /nfs/dbraw/zinc/23/13/07/1037231307.db2.gz CBPKPRUXTAQXIL-OXQOHEQNSA-N 1 2 369.509 2.907 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)CCC3)C[C@H]1C ZINC001207189989 1037231317 /nfs/dbraw/zinc/23/13/17/1037231317.db2.gz CBPKPRUXTAQXIL-OXQOHEQNSA-N 1 2 369.509 2.907 20 30 FFEDLO C=CC1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)CC1 ZINC001235026851 1037310703 /nfs/dbraw/zinc/31/07/03/1037310703.db2.gz GLLPNWJLGABDKV-HXUWFJFHSA-N 1 2 357.498 2.803 20 30 FFEDLO C=CC1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)CC1 ZINC001235026851 1037310721 /nfs/dbraw/zinc/31/07/21/1037310721.db2.gz GLLPNWJLGABDKV-HXUWFJFHSA-N 1 2 357.498 2.803 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[N@H+](CCF)Cc1cccnc1 ZINC001230867019 1037383797 /nfs/dbraw/zinc/38/37/97/1037383797.db2.gz GJFFKVGVMVHWGE-OALUTQOASA-N 1 2 363.477 2.731 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[N@@H+](CCF)Cc1cccnc1 ZINC001230867019 1037383806 /nfs/dbraw/zinc/38/38/06/1037383806.db2.gz GJFFKVGVMVHWGE-OALUTQOASA-N 1 2 363.477 2.731 20 30 FFEDLO CC(C)(C)OC(=O)N1CC(CC[NH+]2CC(Oc3ccccc3C#N)C2)C1 ZINC001207772871 1037712988 /nfs/dbraw/zinc/71/29/88/1037712988.db2.gz ZIQZVHYUORINBS-UHFFFAOYSA-N 1 2 357.454 2.878 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC001231617362 1037736086 /nfs/dbraw/zinc/73/60/86/1037736086.db2.gz UUMYOORWBQFOMN-IRFCIJBXSA-N 1 2 365.433 2.773 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC001231617362 1037736100 /nfs/dbraw/zinc/73/61/00/1037736100.db2.gz UUMYOORWBQFOMN-IRFCIJBXSA-N 1 2 365.433 2.773 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](Cc2ccc(F)nc2C)Cc2nnn(CC3CC3)c21 ZINC001235811134 1037760227 /nfs/dbraw/zinc/76/02/27/1037760227.db2.gz OAYLNJDXCUSAQB-KRWDZBQOSA-N 1 2 371.460 2.833 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](Cc2ccc(F)nc2C)Cc2nnn(CC3CC3)c21 ZINC001235811134 1037760247 /nfs/dbraw/zinc/76/02/47/1037760247.db2.gz OAYLNJDXCUSAQB-KRWDZBQOSA-N 1 2 371.460 2.833 20 30 FFEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1c(F)cc(F)cc1Cl)CC2 ZINC001277581430 1037980011 /nfs/dbraw/zinc/98/00/11/1037980011.db2.gz UFAUSIQRWREZHC-CQSZACIVSA-N 1 2 352.812 2.970 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001208128627 1038065217 /nfs/dbraw/zinc/06/52/17/1038065217.db2.gz BUERMBJHXOAVPM-LSBZLQRGSA-N 1 2 365.905 2.900 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001208128627 1038065239 /nfs/dbraw/zinc/06/52/39/1038065239.db2.gz BUERMBJHXOAVPM-LSBZLQRGSA-N 1 2 365.905 2.900 20 30 FFEDLO C#CC[NH+]1CCN(Cc2ncc(C(F)(F)F)cc2Br)CC1 ZINC001236642331 1038169941 /nfs/dbraw/zinc/16/99/41/1038169941.db2.gz MQJAHHNAILANFL-UHFFFAOYSA-N 1 2 362.193 2.614 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001208294615 1038196559 /nfs/dbraw/zinc/19/65/59/1038196559.db2.gz LDKPIJLBNJDKDF-RHSMWYFYSA-N 1 2 361.461 2.803 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001208294615 1038196566 /nfs/dbraw/zinc/19/65/66/1038196566.db2.gz LDKPIJLBNJDKDF-RHSMWYFYSA-N 1 2 361.461 2.803 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(CC(F)(F)F)n2)C[C@H]1C ZINC001208314936 1038206335 /nfs/dbraw/zinc/20/63/35/1038206335.db2.gz BAKIHFWHKXWOMV-TZMCWYRMSA-N 1 2 358.408 2.594 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccn(CC(F)(F)F)n2)C[C@H]1C ZINC001208314936 1038206351 /nfs/dbraw/zinc/20/63/51/1038206351.db2.gz BAKIHFWHKXWOMV-TZMCWYRMSA-N 1 2 358.408 2.594 20 30 FFEDLO COC(C)(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C)cc2C#N)C1=O ZINC001278006408 1038242705 /nfs/dbraw/zinc/24/27/05/1038242705.db2.gz RRBNOJYFYHKJBW-NRFANRHFSA-N 1 2 355.482 2.859 20 30 FFEDLO COC(C)(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C)cc2C#N)C1=O ZINC001278006408 1038242716 /nfs/dbraw/zinc/24/27/16/1038242716.db2.gz RRBNOJYFYHKJBW-NRFANRHFSA-N 1 2 355.482 2.859 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001208390786 1038277568 /nfs/dbraw/zinc/27/75/68/1038277568.db2.gz DCOKXFHNBZQMJR-IIDMSEBBSA-N 1 2 361.461 2.803 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001208390786 1038277574 /nfs/dbraw/zinc/27/75/74/1038277574.db2.gz DCOKXFHNBZQMJR-IIDMSEBBSA-N 1 2 361.461 2.803 20 30 FFEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001236807996 1038281156 /nfs/dbraw/zinc/28/11/56/1038281156.db2.gz JGWKLAHMCRGYBQ-SFHVURJKSA-N 1 2 372.469 2.623 20 30 FFEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1Cc1c(C)cc(OC)cc1O ZINC001236807996 1038281159 /nfs/dbraw/zinc/28/11/59/1038281159.db2.gz JGWKLAHMCRGYBQ-SFHVURJKSA-N 1 2 372.469 2.623 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(Cc4ccc5ncsc5c4)C3)C2)cc1C#N ZINC001278902348 1038290828 /nfs/dbraw/zinc/29/08/28/1038290828.db2.gz YBVFFDXXBGZHRV-UHFFFAOYSA-N 1 2 363.490 2.824 20 30 FFEDLO CC(C)(C)OC(=O)N1CCOc2cc(O)c(C[N@@H+]3CC[C@H](C#N)C3)cc2C1 ZINC001236853082 1038310102 /nfs/dbraw/zinc/31/01/02/1038310102.db2.gz VTUKYMNAEMKWAW-CQSZACIVSA-N 1 2 373.453 2.867 20 30 FFEDLO CC(C)(C)OC(=O)N1CCOc2cc(O)c(C[N@H+]3CC[C@H](C#N)C3)cc2C1 ZINC001236853082 1038310115 /nfs/dbraw/zinc/31/01/15/1038310115.db2.gz VTUKYMNAEMKWAW-CQSZACIVSA-N 1 2 373.453 2.867 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)c(F)c2)C[C@H]1C ZINC001208458592 1038328973 /nfs/dbraw/zinc/32/89/73/1038328973.db2.gz POTMZOWSSBBXJD-CRAIPNDOSA-N 1 2 361.461 2.865 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)c(F)c2)C[C@H]1C ZINC001208458592 1038328986 /nfs/dbraw/zinc/32/89/86/1038328986.db2.gz POTMZOWSSBBXJD-CRAIPNDOSA-N 1 2 361.461 2.865 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001208508986 1038370718 /nfs/dbraw/zinc/37/07/18/1038370718.db2.gz NSHAMIBLUDXRGV-HGHGUNKESA-N 1 2 357.498 2.972 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001208508986 1038370735 /nfs/dbraw/zinc/37/07/35/1038370735.db2.gz NSHAMIBLUDXRGV-HGHGUNKESA-N 1 2 357.498 2.972 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](CC2OC=CC2=S)Cc2nnn(CC3CC3)c21 ZINC001237178489 1038465303 /nfs/dbraw/zinc/46/53/03/1038465303.db2.gz WZAVCMMUDJOAKU-AWEZNQCLSA-N 1 2 360.483 2.872 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](CC2OC=CC2=S)Cc2nnn(CC3CC3)c21 ZINC001237178489 1038465305 /nfs/dbraw/zinc/46/53/05/1038465305.db2.gz WZAVCMMUDJOAKU-AWEZNQCLSA-N 1 2 360.483 2.872 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3cc(F)c(F)cc3Cl)C2)OCC1=O ZINC001276575716 1038474068 /nfs/dbraw/zinc/47/40/68/1038474068.db2.gz LGRDKGHVGILWCT-KRWDZBQOSA-N 1 2 356.800 2.608 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3cc(F)c(F)cc3Cl)C2)OCC1=O ZINC001276575716 1038474073 /nfs/dbraw/zinc/47/40/73/1038474073.db2.gz LGRDKGHVGILWCT-KRWDZBQOSA-N 1 2 356.800 2.608 20 30 FFEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C(=O)OCC ZINC001256459197 1038521206 /nfs/dbraw/zinc/52/12/06/1038521206.db2.gz PSDCBPHAUXTCGT-QCUYGVNKSA-N 1 2 352.475 2.872 20 30 FFEDLO CCOC(=O)C1(C(=O)OCC)CCC([NH2+]C2(C#N)CCCCC2)CC1 ZINC001256995239 1038674601 /nfs/dbraw/zinc/67/46/01/1038674601.db2.gz IDEKYLCZPCYTRE-UHFFFAOYSA-N 1 2 350.459 2.858 20 30 FFEDLO CC[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](CC(=O)c1ccc(C#N)cc1)CC2 ZINC001276626944 1038730636 /nfs/dbraw/zinc/73/06/36/1038730636.db2.gz FMVSDALCNPMCIU-CRAIPNDOSA-N 1 2 353.466 2.758 20 30 FFEDLO Cc1cc(C#N)ccc1-c1nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2[nH]1 ZINC001251262967 1039037673 /nfs/dbraw/zinc/03/76/73/1039037673.db2.gz ZTCOCUDLRIIFEK-UHFFFAOYSA-N 1 2 359.433 2.798 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@](O)(C[N@H+](CCC#N)Cc2ccccc2)C1 ZINC001251366152 1039089129 /nfs/dbraw/zinc/08/91/29/1039089129.db2.gz ZJDHBSFOEPQAJT-FQEVSTJZSA-N 1 2 359.470 2.774 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@](O)(C[N@@H+](CCC#N)Cc2ccccc2)C1 ZINC001251366152 1039089151 /nfs/dbraw/zinc/08/91/51/1039089151.db2.gz ZJDHBSFOEPQAJT-FQEVSTJZSA-N 1 2 359.470 2.774 20 30 FFEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Br)c[nH]1)CC2 ZINC001276660404 1039097751 /nfs/dbraw/zinc/09/77/51/1039097751.db2.gz HUGMBRKSQREGBI-AWEZNQCLSA-N 1 2 352.276 2.682 20 30 FFEDLO C#Cc1ccc(C[N@@H+]2C[C@H]3CN(CCCC(F)(F)F)C[C@@H](C2)O3)cc1 ZINC001278436635 1039281978 /nfs/dbraw/zinc/28/19/78/1039281978.db2.gz NZYDGQVBDKGJLK-HDICACEKSA-N 1 2 352.400 2.895 20 30 FFEDLO C#Cc1ccc(C[N@H+]2C[C@H]3CN(CCCC(F)(F)F)C[C@@H](C2)O3)cc1 ZINC001278436635 1039281984 /nfs/dbraw/zinc/28/19/84/1039281984.db2.gz NZYDGQVBDKGJLK-HDICACEKSA-N 1 2 352.400 2.895 20 30 FFEDLO C#Cc1ccc(CN2C[C@@H]3C[N@H+](CCCC(F)(F)F)C[C@H](C2)O3)cc1 ZINC001278436635 1039281992 /nfs/dbraw/zinc/28/19/92/1039281992.db2.gz NZYDGQVBDKGJLK-HDICACEKSA-N 1 2 352.400 2.895 20 30 FFEDLO C#Cc1ccc(CN2C[C@@H]3C[N@@H+](CCCC(F)(F)F)C[C@H](C2)O3)cc1 ZINC001278436635 1039281995 /nfs/dbraw/zinc/28/19/95/1039281995.db2.gz NZYDGQVBDKGJLK-HDICACEKSA-N 1 2 352.400 2.895 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1Cc1cc(Br)ccc1Br ZINC001210122647 1039392983 /nfs/dbraw/zinc/39/29/83/1039392983.db2.gz SIJIOBSMCOJSBT-NSHDSACASA-N 1 2 359.065 2.509 20 30 FFEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC001258509997 1039410441 /nfs/dbraw/zinc/41/04/41/1039410441.db2.gz PIXHSZLFSNOMOC-NRFANRHFSA-N 1 2 363.461 2.901 20 30 FFEDLO C=C[C@@](C)(O)CNc1ccc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)[nH+]c1 ZINC001252546058 1039591307 /nfs/dbraw/zinc/59/13/07/1039591307.db2.gz UEOFGENKHFWMNQ-DNVCBOLYSA-N 1 2 362.474 2.534 20 30 FFEDLO C=CCC[C@@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001252603737 1039611257 /nfs/dbraw/zinc/61/12/57/1039611257.db2.gz GDQMYJUGFGBTHN-CHWSQXEVSA-N 1 2 352.397 2.797 20 30 FFEDLO C=CCC[C@@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001252603737 1039611266 /nfs/dbraw/zinc/61/12/66/1039611266.db2.gz GDQMYJUGFGBTHN-CHWSQXEVSA-N 1 2 352.397 2.797 20 30 FFEDLO Cc1cc(-c2noc(C[C@@H]([NH3+])C(=O)OCc3ccccc3)n2)ccc1C#N ZINC001247672281 1039879196 /nfs/dbraw/zinc/87/91/96/1039879196.db2.gz CQRUZJGZQOQKHG-QGZVFWFLSA-N 1 2 362.389 2.530 20 30 FFEDLO CCn1ccnc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cccc(Cl)c1C#N ZINC001278692817 1039929511 /nfs/dbraw/zinc/92/95/11/1039929511.db2.gz VOZRLBQBMKZLBZ-IYBDPMFKSA-N 1 2 355.873 2.887 20 30 FFEDLO CCn1ccnc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cccc(Cl)c1C#N ZINC001278692817 1039929523 /nfs/dbraw/zinc/92/95/23/1039929523.db2.gz VOZRLBQBMKZLBZ-IYBDPMFKSA-N 1 2 355.873 2.887 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cnnn2CC)C[C@H]1C)c1ccccc1 ZINC001211200265 1039992545 /nfs/dbraw/zinc/99/25/45/1039992545.db2.gz RDWDEGVIYBCKRA-LSTHTHJFSA-N 1 2 367.497 2.594 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnnn2CC)C[C@H]1C)c1ccccc1 ZINC001211200265 1039992558 /nfs/dbraw/zinc/99/25/58/1039992558.db2.gz RDWDEGVIYBCKRA-LSTHTHJFSA-N 1 2 367.497 2.594 20 30 FFEDLO CCc1nnc([C@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)o1 ZINC001211235059 1040021555 /nfs/dbraw/zinc/02/15/55/1040021555.db2.gz GYCZWHTUXAUKSH-SOLBZPMBSA-N 1 2 366.465 2.571 20 30 FFEDLO CCc1nnc([C@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)o1 ZINC001211235059 1040021574 /nfs/dbraw/zinc/02/15/74/1040021574.db2.gz GYCZWHTUXAUKSH-SOLBZPMBSA-N 1 2 366.465 2.571 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1C[C@H](O)c1ccc(F)c(F)c1 ZINC001253356979 1040127927 /nfs/dbraw/zinc/12/79/27/1040127927.db2.gz PNKAMBRGGGYWJD-ROUUACIJSA-N 1 2 363.408 2.534 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1C[C@H](O)c1ccc(F)c(F)c1 ZINC001253356979 1040127942 /nfs/dbraw/zinc/12/79/42/1040127942.db2.gz PNKAMBRGGGYWJD-ROUUACIJSA-N 1 2 363.408 2.534 20 30 FFEDLO C=C[C@@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(F)cc1 ZINC001253587047 1040251188 /nfs/dbraw/zinc/25/11/88/1040251188.db2.gz YCQRWGYIIUZOOX-IAGOWNOFSA-N 1 2 350.434 2.966 20 30 FFEDLO C=C[C@@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(F)cc1 ZINC001253587047 1040251196 /nfs/dbraw/zinc/25/11/96/1040251196.db2.gz YCQRWGYIIUZOOX-IAGOWNOFSA-N 1 2 350.434 2.966 20 30 FFEDLO N#Cc1cc(Br)ccc1-c1noc([C@H]2CSCC[NH2+]2)n1 ZINC001248596819 1040335171 /nfs/dbraw/zinc/33/51/71/1040335171.db2.gz DZUIQBRQPHVGEP-LLVKDONJSA-N 1 2 351.229 2.748 20 30 FFEDLO N#Cc1ccc(CS(=O)(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001260044423 1040373738 /nfs/dbraw/zinc/37/37/38/1040373738.db2.gz ULFBZEZOGAEISU-UHFFFAOYSA-N 1 2 352.419 2.745 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)C[C@H]1OC ZINC001213302970 1040424888 /nfs/dbraw/zinc/42/48/88/1040424888.db2.gz CAKSEFRPJHCECS-HUUCEWRRSA-N 1 2 354.903 2.911 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)s2)C[C@H]1OC ZINC001213302970 1040424897 /nfs/dbraw/zinc/42/48/97/1040424897.db2.gz CAKSEFRPJHCECS-HUUCEWRRSA-N 1 2 354.903 2.911 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2nc3ccccc3o2)C[C@H]1OC ZINC001213319870 1040443407 /nfs/dbraw/zinc/44/34/07/1040443407.db2.gz FRYQHBDTJJYAON-YXJHDRRASA-N 1 2 357.454 2.746 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2nc3ccccc3o2)C[C@H]1OC ZINC001213319870 1040443416 /nfs/dbraw/zinc/44/34/16/1040443416.db2.gz FRYQHBDTJJYAON-YXJHDRRASA-N 1 2 357.454 2.746 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213320332 1040445556 /nfs/dbraw/zinc/44/55/56/1040445556.db2.gz SQVQCLWVXBULCY-NIKGAXFTSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213320332 1040445567 /nfs/dbraw/zinc/44/55/67/1040445567.db2.gz SQVQCLWVXBULCY-NIKGAXFTSA-N 1 2 359.445 2.615 20 30 FFEDLO C=CCN1C(=O)COCC12C[NH+](Cc1cc(C(C)C)c(OC)cc1C)C2 ZINC001276701977 1040567786 /nfs/dbraw/zinc/56/77/86/1040567786.db2.gz SZBDMKRATDCFQP-UHFFFAOYSA-N 1 2 358.482 2.726 20 30 FFEDLO CC(C)n1ncc(C#N)c1Nc1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001213481633 1040595337 /nfs/dbraw/zinc/59/53/37/1040595337.db2.gz JUUMCQIXDSMXMP-UHFFFAOYSA-N 1 2 373.432 2.929 20 30 FFEDLO CC[C@@H](CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC)C(C)C ZINC001213747020 1040867647 /nfs/dbraw/zinc/86/76/47/1040867647.db2.gz BIAKKLZJKJCZNA-PWRODBHTSA-N 1 2 356.510 2.926 20 30 FFEDLO CC[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC)C(C)C ZINC001213747020 1040867662 /nfs/dbraw/zinc/86/76/62/1040867662.db2.gz BIAKKLZJKJCZNA-PWRODBHTSA-N 1 2 356.510 2.926 20 30 FFEDLO CC[C@H](CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC)C(C)C ZINC001213747018 1040867871 /nfs/dbraw/zinc/86/78/71/1040867871.db2.gz BIAKKLZJKJCZNA-NJDAHSKKSA-N 1 2 356.510 2.926 20 30 FFEDLO CC[C@H](CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC)C(C)C ZINC001213747018 1040867883 /nfs/dbraw/zinc/86/78/83/1040867883.db2.gz BIAKKLZJKJCZNA-NJDAHSKKSA-N 1 2 356.510 2.926 20 30 FFEDLO C#CC[C@H]([NH2+]C1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1)C(=O)OC ZINC001254873127 1041023319 /nfs/dbraw/zinc/02/33/19/1041023319.db2.gz HWSGGZXPYOIAKT-NGEICVOHSA-N 1 2 364.486 2.711 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)o3)C[C@H]2OC)CCCCC1 ZINC001213903009 1041053240 /nfs/dbraw/zinc/05/32/40/1041053240.db2.gz AXJZXSONYNYFCE-QZTJIDSGSA-N 1 2 361.486 2.825 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)o3)C[C@H]2OC)CCCCC1 ZINC001213903009 1041053258 /nfs/dbraw/zinc/05/32/58/1041053258.db2.gz AXJZXSONYNYFCE-QZTJIDSGSA-N 1 2 361.486 2.825 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cc(F)cc(N(C)C)c1 ZINC001249953788 1041072921 /nfs/dbraw/zinc/07/29/21/1041072921.db2.gz RUNYHQLQGMOJLV-LJQANCHMSA-N 1 2 358.461 2.927 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc(F)cc(N(C)C)c1 ZINC001249953788 1041072936 /nfs/dbraw/zinc/07/29/36/1041072936.db2.gz RUNYHQLQGMOJLV-LJQANCHMSA-N 1 2 358.461 2.927 20 30 FFEDLO Cn1c[nH+]cc1C1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC001262832769 1041884999 /nfs/dbraw/zinc/88/49/99/1041884999.db2.gz BRVYTMBGTGJBPG-UHFFFAOYSA-N 1 2 361.405 2.967 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](Cc3ccccc3)CCO2)nnc1N1CC[C@H](C)C1 ZINC001262953990 1041986111 /nfs/dbraw/zinc/98/61/11/1041986111.db2.gz JCCNFLMCWQBYSF-HKUYNNGSSA-N 1 2 367.497 2.884 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nnc1N1CC[C@H](C)C1 ZINC001262953990 1041986115 /nfs/dbraw/zinc/98/61/15/1041986115.db2.gz JCCNFLMCWQBYSF-HKUYNNGSSA-N 1 2 367.497 2.884 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](Cc3ccccc3)CCO2)nnc1N(C)CCC ZINC001262954524 1041987022 /nfs/dbraw/zinc/98/70/22/1041987022.db2.gz ZJMOGQBYRLUXGQ-GOSISDBHSA-N 1 2 355.486 2.884 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](Cc3ccccc3)CCO2)nnc1N(C)CCC ZINC001262954524 1041987025 /nfs/dbraw/zinc/98/70/25/1041987025.db2.gz ZJMOGQBYRLUXGQ-GOSISDBHSA-N 1 2 355.486 2.884 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001263343448 1042251532 /nfs/dbraw/zinc/25/15/32/1042251532.db2.gz YQAGAGDKFJBDNE-BDXSIMOUSA-N 1 2 371.529 2.872 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001263343448 1042251534 /nfs/dbraw/zinc/25/15/34/1042251534.db2.gz YQAGAGDKFJBDNE-BDXSIMOUSA-N 1 2 371.529 2.872 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2CCCOCC)C1 ZINC001263368848 1042266370 /nfs/dbraw/zinc/26/63/70/1042266370.db2.gz FRUAKCKCSLUZTH-MSOLQXFVSA-N 1 2 359.518 2.711 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3CCC[N@H+]3C)n2CCCOCC)C1 ZINC001263368848 1042266374 /nfs/dbraw/zinc/26/63/74/1042266374.db2.gz FRUAKCKCSLUZTH-MSOLQXFVSA-N 1 2 359.518 2.711 20 30 FFEDLO C#CC1CCN(c2nnc([C@H]3C[N@@H+](C(C)C)CCO3)n2CC(C)C)CC1 ZINC001263395349 1042279203 /nfs/dbraw/zinc/27/92/03/1042279203.db2.gz VSIYVEDLYWWUDS-GOSISDBHSA-N 1 2 359.518 2.565 20 30 FFEDLO C#CC1CCN(c2nnc([C@H]3C[N@H+](C(C)C)CCO3)n2CC(C)C)CC1 ZINC001263395349 1042279205 /nfs/dbraw/zinc/27/92/05/1042279205.db2.gz VSIYVEDLYWWUDS-GOSISDBHSA-N 1 2 359.518 2.565 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1C[C@@H]1CCCO1 ZINC001263437015 1042309285 /nfs/dbraw/zinc/30/92/85/1042309285.db2.gz ILUKABNGKOZGIY-OKZBNKHCSA-N 1 2 370.501 2.747 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2nnc(C)o2)C[C@H]1c1ccccc1 ZINC001263884353 1042507531 /nfs/dbraw/zinc/50/75/31/1042507531.db2.gz LKJUGPFEUPTRCZ-ZWKOTPCHSA-N 1 2 354.454 2.819 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(C)o2)C[C@H]1c1ccccc1 ZINC001263884353 1042507533 /nfs/dbraw/zinc/50/75/33/1042507533.db2.gz LKJUGPFEUPTRCZ-ZWKOTPCHSA-N 1 2 354.454 2.819 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CC[N@@H+]1Cc1nc(-c2ccoc2)no1 ZINC001264051589 1042598906 /nfs/dbraw/zinc/59/89/06/1042598906.db2.gz IOHGJCKGRIEZIB-JKSUJKDBSA-N 1 2 370.453 2.848 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CC[N@H+]1Cc1nc(-c2ccoc2)no1 ZINC001264051589 1042598910 /nfs/dbraw/zinc/59/89/10/1042598910.db2.gz IOHGJCKGRIEZIB-JKSUJKDBSA-N 1 2 370.453 2.848 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CC[N@@H+]1Cc1nc2ccccc2n1C ZINC001264140580 1042634358 /nfs/dbraw/zinc/63/43/58/1042634358.db2.gz LIYDALQWZMVSQW-CVEARBPZSA-N 1 2 352.482 2.702 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CC[N@H+]1Cc1nc2ccccc2n1C ZINC001264140580 1042634360 /nfs/dbraw/zinc/63/43/60/1042634360.db2.gz LIYDALQWZMVSQW-CVEARBPZSA-N 1 2 352.482 2.702 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1c1ccccc1 ZINC001264445458 1042672944 /nfs/dbraw/zinc/67/29/44/1042672944.db2.gz IRXFHKCKYKKUTK-ZWKOTPCHSA-N 1 2 368.506 2.672 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1c1ccccc1 ZINC001264445458 1042672947 /nfs/dbraw/zinc/67/29/47/1042672947.db2.gz IRXFHKCKYKKUTK-ZWKOTPCHSA-N 1 2 368.506 2.672 20 30 FFEDLO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1C[C@H]1c1cccc(C)c1)C2 ZINC001264748186 1042819286 /nfs/dbraw/zinc/81/92/86/1042819286.db2.gz GNUNBFALVPFSIC-DLBZAZTESA-N 1 2 365.502 2.863 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC[N@@H+](Cc1csc(Cl)n1)C1CC1 ZINC001265175831 1042846280 /nfs/dbraw/zinc/84/62/80/1042846280.db2.gz NDUUUZUPDMCYKY-CABCVRRESA-N 1 2 369.918 2.858 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC[N@H+](Cc1csc(Cl)n1)C1CC1 ZINC001265175831 1042846284 /nfs/dbraw/zinc/84/62/84/1042846284.db2.gz NDUUUZUPDMCYKY-CABCVRRESA-N 1 2 369.918 2.858 20 30 FFEDLO CCN(C(=O)[C@@H]1C[C@@H]1C#N)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001265365777 1042855520 /nfs/dbraw/zinc/85/55/20/1042855520.db2.gz UQAHDSUFEYLEDW-NVXWUHKLSA-N 1 2 355.486 2.885 20 30 FFEDLO COc1c(Cl)cccc1CN1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001279199531 1042943928 /nfs/dbraw/zinc/94/39/28/1042943928.db2.gz UJTWWDGAFCPJOZ-UHFFFAOYSA-N 1 2 370.884 2.877 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cc(O)cc(Cl)c4)C3)C2)cc1C#N ZINC001279318874 1042998160 /nfs/dbraw/zinc/99/81/60/1042998160.db2.gz RKCPFMHFOCPZNF-UHFFFAOYSA-N 1 2 356.857 2.574 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)ccn1 ZINC001237466032 1043183003 /nfs/dbraw/zinc/18/30/03/1043183003.db2.gz QKCFRONVZGIWIW-HHXXYDBFSA-N 1 2 370.478 2.606 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)ccn1 ZINC001237466032 1043183007 /nfs/dbraw/zinc/18/30/07/1043183007.db2.gz QKCFRONVZGIWIW-HHXXYDBFSA-N 1 2 370.478 2.606 20 30 FFEDLO Cn1cc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)c2cc(C#N)ccc21 ZINC001237473092 1043186304 /nfs/dbraw/zinc/18/63/04/1043186304.db2.gz RPIMQFGSXPPSEZ-UHFFFAOYSA-N 1 2 372.472 2.937 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@@H]2CCN(Cc3ccc(C#N)cc3O)[C@@H]2C1 ZINC001279497910 1043189413 /nfs/dbraw/zinc/18/94/13/1043189413.db2.gz PPRSCESTYCKZQG-DOTOQJQBSA-N 1 2 354.479 2.735 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@@H]2CCN(Cc3ccc(C#N)cc3O)[C@@H]2C1 ZINC001279497910 1043189419 /nfs/dbraw/zinc/18/94/19/1043189419.db2.gz PPRSCESTYCKZQG-DOTOQJQBSA-N 1 2 354.479 2.735 20 30 FFEDLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001237608518 1043268401 /nfs/dbraw/zinc/26/84/01/1043268401.db2.gz HGFABVOEVITVDC-UHFFFAOYSA-N 1 2 355.442 2.695 20 30 FFEDLO N#Cc1cc(Cl)cc(C[NH+]2CCC(C(=O)N3CCC(=O)CC3)CC2)c1 ZINC001237751099 1043340040 /nfs/dbraw/zinc/34/00/40/1043340040.db2.gz GJPAXOOGWOQANT-UHFFFAOYSA-N 1 2 359.857 2.615 20 30 FFEDLO Cc1ncsc1C[NH+]1CC2(CN(Cc3ccc(OCC#N)cc3)C2)C1 ZINC001279649292 1043400701 /nfs/dbraw/zinc/40/07/01/1043400701.db2.gz GGZUCAHKACBMJC-UHFFFAOYSA-N 1 2 354.479 2.672 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3[nH]nc4cc(Cl)ccc43)CC2)c1 ZINC001238001836 1043478047 /nfs/dbraw/zinc/47/80/47/1043478047.db2.gz YDDONPLQTXHRRS-UHFFFAOYSA-N 1 2 352.829 2.805 20 30 FFEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC2(C[C@H]2C(=O)NCC2COC2)CC1 ZINC001279741153 1043567112 /nfs/dbraw/zinc/56/71/12/1043567112.db2.gz FXPQOSJKJHKMSO-KRWDZBQOSA-N 1 2 373.884 2.576 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)c(C#N)c2)C[C@H]1O ZINC001238191017 1043599790 /nfs/dbraw/zinc/59/97/90/1043599790.db2.gz IAPNGXYYNZQHDU-HZPDHXFCSA-N 1 2 365.861 2.672 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C[C@H]1O ZINC001238191017 1043599794 /nfs/dbraw/zinc/59/97/94/1043599794.db2.gz IAPNGXYYNZQHDU-HZPDHXFCSA-N 1 2 365.861 2.672 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)Nc3cccc(C#N)c3)C2)cc1 ZINC001310076633 1043632740 /nfs/dbraw/zinc/63/27/40/1043632740.db2.gz NOQVUTOPGDFILV-HXUWFJFHSA-N 1 2 364.449 2.889 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)Nc3cccc(C#N)c3)C2)cc1 ZINC001310076633 1043632749 /nfs/dbraw/zinc/63/27/49/1043632749.db2.gz NOQVUTOPGDFILV-HXUWFJFHSA-N 1 2 364.449 2.889 20 30 FFEDLO N#Cc1cc(F)cc(C[NH+]2CC3(C[C@H]3C(=O)NC3CCC(F)CC3)C2)c1 ZINC001279821741 1043705487 /nfs/dbraw/zinc/70/54/87/1043705487.db2.gz HQOCGDNXFKCDCF-VJFUWPCTSA-N 1 2 359.420 2.916 20 30 FFEDLO C=CCCCCC[N@H+]1CCc2c([nH]nc2C(=O)N[C@H](C)c2ncc[nH]2)C1 ZINC001279830378 1043735059 /nfs/dbraw/zinc/73/50/59/1043735059.db2.gz ZBNNRVFLTUBLAY-CQSZACIVSA-N 1 2 356.474 2.728 20 30 FFEDLO C=CCCCCC[N@@H+]1CCc2c([nH]nc2C(=O)N[C@H](C)c2ncc[nH]2)C1 ZINC001279830378 1043735070 /nfs/dbraw/zinc/73/50/70/1043735070.db2.gz ZBNNRVFLTUBLAY-CQSZACIVSA-N 1 2 356.474 2.728 20 30 FFEDLO C=CCC1(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2scnc2C)CC1 ZINC001279836368 1043746660 /nfs/dbraw/zinc/74/66/60/1043746660.db2.gz ORZFFKVBDJNFPC-GASCZTMLSA-N 1 2 367.540 2.539 20 30 FFEDLO C=CCC1(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2scnc2C)CC1 ZINC001279836368 1043746672 /nfs/dbraw/zinc/74/66/72/1043746672.db2.gz ORZFFKVBDJNFPC-GASCZTMLSA-N 1 2 367.540 2.539 20 30 FFEDLO CCc1cc(C#N)ccc1C[NH+]1CC2(CCN2C(=O)NCC(F)(F)F)C1 ZINC001279869933 1043806290 /nfs/dbraw/zinc/80/62/90/1043806290.db2.gz RLRMRDITJOJMPZ-UHFFFAOYSA-N 1 2 366.387 2.653 20 30 FFEDLO Cc1cc(C[NH+]2CC3(CN(Cc4ccc(C#N)cc4Cl)C3)C2)n(C)n1 ZINC001280037257 1044116347 /nfs/dbraw/zinc/11/63/47/1044116347.db2.gz JDCPYMWRDDPKDP-UHFFFAOYSA-N 1 2 355.873 2.571 20 30 FFEDLO CSc1nc(C)c(C#N)c(-c2ccc(OCC[NH+]3CCOCC3)cc2)n1 ZINC001240449273 1044346222 /nfs/dbraw/zinc/34/62/22/1044346222.db2.gz ZPKBHVWQPPGHJY-UHFFFAOYSA-N 1 2 370.478 2.757 20 30 FFEDLO C=CCOc1ccccc1C[N@H+]1CC[C@H]2C[C@]21C(=O)Nc1nccn1C ZINC001280274802 1044517713 /nfs/dbraw/zinc/51/77/13/1044517713.db2.gz XIOOEJDYVIPXNR-OXJNMPFZSA-N 1 2 352.438 2.588 20 30 FFEDLO C=CCOc1ccccc1C[N@@H+]1CC[C@H]2C[C@]21C(=O)Nc1nccn1C ZINC001280274802 1044517730 /nfs/dbraw/zinc/51/77/30/1044517730.db2.gz XIOOEJDYVIPXNR-OXJNMPFZSA-N 1 2 352.438 2.588 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3ccc4nc(C#N)ccc4c3)cn2)CC1 ZINC001241568329 1044550969 /nfs/dbraw/zinc/55/09/69/1044550969.db2.gz PLSYRCDWEUAMCL-UHFFFAOYSA-N 1 2 372.476 2.828 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001280674743 1044721468 /nfs/dbraw/zinc/72/14/68/1044721468.db2.gz OFPRSDLCQSEFJU-NUJGCVRESA-N 1 2 370.497 2.635 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001280674743 1044721484 /nfs/dbraw/zinc/72/14/84/1044721484.db2.gz OFPRSDLCQSEFJU-NUJGCVRESA-N 1 2 370.497 2.635 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H](C2CC2)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001280962984 1044781192 /nfs/dbraw/zinc/78/11/92/1044781192.db2.gz GZOVFJZUROFPHR-NUJGCVRESA-N 1 2 370.497 2.613 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H](C2CC2)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001280962984 1044781194 /nfs/dbraw/zinc/78/11/94/1044781194.db2.gz GZOVFJZUROFPHR-NUJGCVRESA-N 1 2 370.497 2.613 20 30 FFEDLO COc1ccc([C@@H]2CC[N@H+](CCF)C[C@@H]2NC(=O)C#CC(C)C)cc1F ZINC001316725600 1044845675 /nfs/dbraw/zinc/84/56/75/1044845675.db2.gz BSSXIRLADIHSBJ-WMZOPIPTSA-N 1 2 364.436 2.737 20 30 FFEDLO COc1ccc([C@@H]2CC[N@@H+](CCF)C[C@@H]2NC(=O)C#CC(C)C)cc1F ZINC001316725600 1044845695 /nfs/dbraw/zinc/84/56/95/1044845695.db2.gz BSSXIRLADIHSBJ-WMZOPIPTSA-N 1 2 364.436 2.737 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(OCC#N)cc2)CC1 ZINC001318846466 1044907376 /nfs/dbraw/zinc/90/73/76/1044907376.db2.gz CSJKSKQPPLKMKV-MRXNPFEDSA-N 1 2 365.437 2.895 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NCCC1=CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001281522052 1044916166 /nfs/dbraw/zinc/91/61/66/1044916166.db2.gz WNFLQWLGOWVKFF-IAGOWNOFSA-N 1 2 370.497 2.781 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NCCC1=CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001281522052 1044916177 /nfs/dbraw/zinc/91/61/77/1044916177.db2.gz WNFLQWLGOWVKFF-IAGOWNOFSA-N 1 2 370.497 2.781 20 30 FFEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)[C@]12CCC[C@H]1OCC2)C1CC1 ZINC001317554173 1045110647 /nfs/dbraw/zinc/11/06/47/1045110647.db2.gz DQFTXUQXSAEZDM-CTNGQTDRSA-N 1 2 353.466 2.598 20 30 FFEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)[C@]12CCC[C@H]1OCC2)C1CC1 ZINC001317554173 1045110651 /nfs/dbraw/zinc/11/06/51/1045110651.db2.gz DQFTXUQXSAEZDM-CTNGQTDRSA-N 1 2 353.466 2.598 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](C)c2nccs2)CC1 ZINC001539430487 1070636711 /nfs/dbraw/zinc/63/67/11/1070636711.db2.gz JJXNEYSMDFVPJH-JKSUJKDBSA-N 1 2 372.542 2.807 20 30 FFEDLO CN(C)c1cccc(Cl)c1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC001320057246 1045339707 /nfs/dbraw/zinc/33/97/07/1045339707.db2.gz CLRAJCKXLUXHPX-UHFFFAOYSA-N 1 2 355.873 2.995 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001282119540 1045356213 /nfs/dbraw/zinc/35/62/13/1045356213.db2.gz LOSSFFGPZJIJKA-YESZJQIVSA-N 1 2 360.502 2.838 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001320165631 1045359521 /nfs/dbraw/zinc/35/95/21/1045359521.db2.gz OABXRKGUNQRFTG-MJGOQNOKSA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001320165631 1045359527 /nfs/dbraw/zinc/35/95/27/1045359527.db2.gz OABXRKGUNQRFTG-MJGOQNOKSA-N 1 2 373.453 2.730 20 30 FFEDLO N#Cc1ccc(NC(=S)NNc2[nH+]ncc(N)c2Cl)cc1Cl ZINC001323962524 1045792851 /nfs/dbraw/zinc/79/28/51/1045792851.db2.gz KLIYKZCHGNFJRB-UHFFFAOYSA-N 1 2 354.226 2.551 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC001322072123 1045943814 /nfs/dbraw/zinc/94/38/14/1045943814.db2.gz CCBVSYRXPKYJTI-HNNXBMFYSA-N 1 2 366.440 2.944 20 30 FFEDLO CC(C)n1cc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)nn1 ZINC001324357507 1045987894 /nfs/dbraw/zinc/98/78/94/1045987894.db2.gz OSWHQXKEMCFBHZ-UHFFFAOYSA-N 1 2 366.425 2.670 20 30 FFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC001324829416 1046245479 /nfs/dbraw/zinc/24/54/79/1046245479.db2.gz UTZDMCSHNJWBMZ-VQIMIIECSA-N 1 2 363.465 2.943 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc(C)cc2C(=O)OCC)C1 ZINC001325227457 1046425908 /nfs/dbraw/zinc/42/59/08/1046425908.db2.gz FMNJLXDEXTYFJK-UONOGXRCSA-N 1 2 366.483 2.837 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc(C)cc2C(=O)OCC)C1 ZINC001325227457 1046425911 /nfs/dbraw/zinc/42/59/11/1046425911.db2.gz FMNJLXDEXTYFJK-UONOGXRCSA-N 1 2 366.483 2.837 20 30 FFEDLO C=CCC1(C(=O)N2CCC[C@H]2CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001285157260 1046744474 /nfs/dbraw/zinc/74/44/74/1046744474.db2.gz SHIHFFZGWAIXSZ-GVDBMIGSSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCC1(C(=O)N2CCC[C@H]2CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001285157260 1046744483 /nfs/dbraw/zinc/74/44/83/1046744483.db2.gz SHIHFFZGWAIXSZ-GVDBMIGSSA-N 1 2 370.497 2.709 20 30 FFEDLO C#CCN(CC#C)c1nnc(C2CCC2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001286407330 1047100978 /nfs/dbraw/zinc/10/09/78/1047100978.db2.gz HPJSGLSAZULBDH-UHFFFAOYSA-N 1 2 374.492 2.662 20 30 FFEDLO C#CCN(CC#CC)c1nnc([C@H](C)CC)n1Cc1c[nH+]ccc1OC ZINC001286419764 1047105148 /nfs/dbraw/zinc/10/51/48/1047105148.db2.gz FBQNMRITRAGWDH-MRXNPFEDSA-N 1 2 351.454 2.706 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2Cc2cc(C3CC3)ccc2F)CC1 ZINC001286478650 1047120991 /nfs/dbraw/zinc/12/09/91/1047120991.db2.gz IABUEXDNQFEQGR-UHFFFAOYSA-N 1 2 367.472 2.661 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CC2CC(F)(F)C2)CC1 ZINC001286471383 1047121221 /nfs/dbraw/zinc/12/12/21/1047121221.db2.gz JJJFLWIEHYVQQJ-AWEZNQCLSA-N 1 2 351.445 2.592 20 30 FFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001327114035 1047192949 /nfs/dbraw/zinc/19/29/49/1047192949.db2.gz MRUGOCSQIZEFGC-VQIMIIECSA-N 1 2 350.466 2.952 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]21 ZINC001288955765 1047537672 /nfs/dbraw/zinc/53/76/72/1047537672.db2.gz RXQVRANUGHUCBK-YTQUADARSA-N 1 2 370.497 2.662 20 30 FFEDLO Cc1cccc(CCCn2c(C3CC3)nnc2N2CC[C@](F)(C#N)C2)[nH+]1 ZINC001290010364 1047808585 /nfs/dbraw/zinc/80/85/85/1047808585.db2.gz TZYJFIRZJOZVCC-IBGZPJMESA-N 1 2 354.433 2.934 20 30 FFEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC001329705358 1048865913 /nfs/dbraw/zinc/86/59/13/1048865913.db2.gz NQXBGUXTMNLIIN-LEWJYISDSA-N 1 2 362.473 2.520 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC001333420164 1048895362 /nfs/dbraw/zinc/89/53/62/1048895362.db2.gz GWJMMYXLQDPWPO-TZIWHRDSSA-N 1 2 350.418 2.756 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC001333420164 1048895379 /nfs/dbraw/zinc/89/53/79/1048895379.db2.gz GWJMMYXLQDPWPO-TZIWHRDSSA-N 1 2 350.418 2.756 20 30 FFEDLO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)O[C@@H](C)C(=O)N(C)CCC#N)c1 ZINC001330155236 1049061331 /nfs/dbraw/zinc/06/13/31/1049061331.db2.gz GXAMAQFCJLVYBB-HKUYNNGSSA-N 1 2 371.481 2.653 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)O[C@@H](C)C(=O)N(C)CCC#N)c1 ZINC001330155236 1049061340 /nfs/dbraw/zinc/06/13/40/1049061340.db2.gz GXAMAQFCJLVYBB-HKUYNNGSSA-N 1 2 371.481 2.653 20 30 FFEDLO C[C@H](C#N)CN(C)c1nnc(CC2CC2)n1CCc1cn2ccccc2[nH+]1 ZINC001541117275 1071057376 /nfs/dbraw/zinc/05/73/76/1071057376.db2.gz CFOMPNSQWXBJMM-OAHLLOKOSA-N 1 2 363.469 2.717 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)NC1CC2(C1)CC(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001292431401 1049342723 /nfs/dbraw/zinc/34/27/23/1049342723.db2.gz RTFKDRUEZOTLCJ-LGPMYBIXSA-N 1 2 370.497 2.659 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)NC1CC2(C1)CC(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001292431401 1049342735 /nfs/dbraw/zinc/34/27/35/1049342735.db2.gz RTFKDRUEZOTLCJ-LGPMYBIXSA-N 1 2 370.497 2.659 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC001339777534 1050197192 /nfs/dbraw/zinc/19/71/92/1050197192.db2.gz RBMNRFPXNLBAIC-QZTJIDSGSA-N 1 2 367.501 2.686 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCCC(F)(F)C1 ZINC001339776980 1050197392 /nfs/dbraw/zinc/19/73/92/1050197392.db2.gz JSNHXKUJJJHOED-UHFFFAOYSA-N 1 2 364.444 2.793 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C3CCCC3)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001339857720 1050275322 /nfs/dbraw/zinc/27/53/22/1050275322.db2.gz XVMDANOBSBKLKO-WFXMLNOXSA-N 1 2 373.545 2.782 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C3CCCC3)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339857720 1050275326 /nfs/dbraw/zinc/27/53/26/1050275326.db2.gz XVMDANOBSBKLKO-WFXMLNOXSA-N 1 2 373.545 2.782 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H](OC2CCC2)CC1 ZINC001339880183 1050297357 /nfs/dbraw/zinc/29/73/57/1050297357.db2.gz MHIWZIGIANNNFL-QGZVFWFLSA-N 1 2 370.501 2.716 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@H](CF)C1 ZINC001340195940 1050604163 /nfs/dbraw/zinc/60/41/63/1050604163.db2.gz QHSQMXWWCJCGQM-ZACQAIPSSA-N 1 2 363.481 2.576 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@H](CF)C1 ZINC001340195940 1050604167 /nfs/dbraw/zinc/60/41/67/1050604167.db2.gz QHSQMXWWCJCGQM-ZACQAIPSSA-N 1 2 363.481 2.576 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(c2ccncn2)CC1 ZINC001340263578 1050668315 /nfs/dbraw/zinc/66/83/15/1050668315.db2.gz FGWYPMUODGCTNX-GOSISDBHSA-N 1 2 367.501 2.795 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(c2ccncn2)CC1 ZINC001340263578 1050668320 /nfs/dbraw/zinc/66/83/20/1050668320.db2.gz FGWYPMUODGCTNX-GOSISDBHSA-N 1 2 367.501 2.795 20 30 FFEDLO C=C(Cn1c(C2CC2)nnc1N(C)CC[NH+]1CCOCC1)c1ccccc1 ZINC001301007957 1050790467 /nfs/dbraw/zinc/79/04/67/1050790467.db2.gz UTUMLDLLPCMSQH-UHFFFAOYSA-N 1 2 367.497 2.637 20 30 FFEDLO C=CC1CCN(c2nnc(CC(C)C)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001301127003 1050819111 /nfs/dbraw/zinc/81/91/11/1050819111.db2.gz GEZYOVPYNQXPKQ-QGZVFWFLSA-N 1 2 361.534 2.600 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001340490725 1050886411 /nfs/dbraw/zinc/88/64/11/1050886411.db2.gz AADAPPQTFPDNOV-HZPDHXFCSA-N 1 2 374.558 2.887 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001342362313 1050957039 /nfs/dbraw/zinc/95/70/39/1050957039.db2.gz LTOAVGPTIHUCNX-PXNSSMCTSA-N 1 2 374.533 2.992 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001342362313 1050957055 /nfs/dbraw/zinc/95/70/55/1050957055.db2.gz LTOAVGPTIHUCNX-PXNSSMCTSA-N 1 2 374.533 2.992 20 30 FFEDLO CCn1c(N2CCc3cc[nH+]c(N(C)C)c3C2)nnc1C(C#N)(CC)CC ZINC001340947540 1051280347 /nfs/dbraw/zinc/28/03/47/1051280347.db2.gz ZDHDUXAUBISZBN-UHFFFAOYSA-N 1 2 367.501 2.903 20 30 FFEDLO C[C@@H](CC#N)N(C)c1nnc(CC2CC2)n1CCCNc1cccc[nH+]1 ZINC001303636734 1051410045 /nfs/dbraw/zinc/41/00/45/1051410045.db2.gz NYAUVMFGIIKPKW-HNNXBMFYSA-N 1 2 353.474 2.866 20 30 FFEDLO C[C@H](CC#N)N(C)c1nnc(C2CCC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303635335 1051410061 /nfs/dbraw/zinc/41/00/61/1051410061.db2.gz DUICLJAWGWFYEN-CQSZACIVSA-N 1 2 353.474 2.793 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc(C[NH+]2CCCC2)n1C[C@@H]1CCCO1 ZINC001343127267 1051747211 /nfs/dbraw/zinc/74/72/11/1051747211.db2.gz UAJQQFCZFQOHJX-MSOLQXFVSA-N 1 2 359.518 2.988 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2cccc(F)c2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001343287629 1052137208 /nfs/dbraw/zinc/13/72/08/1052137208.db2.gz KNFDUHMLWQUYQB-FXAWDEMLSA-N 1 2 373.476 2.541 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2cccc(F)c2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001343287629 1052137210 /nfs/dbraw/zinc/13/72/10/1052137210.db2.gz KNFDUHMLWQUYQB-FXAWDEMLSA-N 1 2 373.476 2.541 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2c(C)cccc2C)[C@H]1CC ZINC001316742339 1052199668 /nfs/dbraw/zinc/19/96/68/1052199668.db2.gz YWRFXXQKEVMTRM-JKSUJKDBSA-N 1 2 363.889 2.964 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2c(C)cccc2C)[C@H]1CC ZINC001316742339 1052199671 /nfs/dbraw/zinc/19/96/71/1052199671.db2.gz YWRFXXQKEVMTRM-JKSUJKDBSA-N 1 2 363.889 2.964 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001343419419 1052219534 /nfs/dbraw/zinc/21/95/34/1052219534.db2.gz MYGOLTIIBIFHFQ-GCJKJVERSA-N 1 2 374.492 2.956 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@H]1Cc1ccnn1C ZINC001343547029 1052298159 /nfs/dbraw/zinc/29/81/59/1052298159.db2.gz VMNOFTYLHFRJQO-ZWKOTPCHSA-N 1 2 369.517 2.566 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@H]1Cc1ccnn1C ZINC001343547029 1052298169 /nfs/dbraw/zinc/29/81/69/1052298169.db2.gz VMNOFTYLHFRJQO-ZWKOTPCHSA-N 1 2 369.517 2.566 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001307491525 1052313430 /nfs/dbraw/zinc/31/34/30/1052313430.db2.gz XWRFJBVTWLDKJM-GOSISDBHSA-N 1 2 364.405 2.861 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001307491525 1052313438 /nfs/dbraw/zinc/31/34/38/1052313438.db2.gz XWRFJBVTWLDKJM-GOSISDBHSA-N 1 2 364.405 2.861 20 30 FFEDLO COC(=O)c1ccc([C@H](C)[NH+]2CCN(c3ccc(F)cc3C#N)CC2)o1 ZINC001308008854 1052382621 /nfs/dbraw/zinc/38/26/21/1052382621.db2.gz SNJCLEITUCZWON-ZDUSSCGKSA-N 1 2 357.385 2.960 20 30 FFEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCN(c4ccc(F)cc4)C3=O)CC2)cc1 ZINC001308012086 1052383562 /nfs/dbraw/zinc/38/35/62/1052383562.db2.gz WAAUMNBLHWEKCR-FQEVSTJZSA-N 1 2 364.424 2.625 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@H](CC#N)C1 ZINC001343784420 1052418527 /nfs/dbraw/zinc/41/85/27/1052418527.db2.gz WWLUAXIRBSSQMB-QZTJIDSGSA-N 1 2 372.517 2.766 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@H](CC#N)C1 ZINC001343784420 1052418531 /nfs/dbraw/zinc/41/85/31/1052418531.db2.gz WWLUAXIRBSSQMB-QZTJIDSGSA-N 1 2 372.517 2.766 20 30 FFEDLO CN(C)c1ccc(C#N)cc1C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001308649649 1052481265 /nfs/dbraw/zinc/48/12/65/1052481265.db2.gz LLQIXLRESHOVBX-UHFFFAOYSA-N 1 2 359.477 2.814 20 30 FFEDLO C[C@@H]1Cc2cc(C[NH2+][C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)ccc2O1 ZINC001308673152 1052484319 /nfs/dbraw/zinc/48/43/19/1052484319.db2.gz VANTUFAJARBHFI-XYPHTWIQSA-N 1 2 357.454 2.859 20 30 FFEDLO O=C(/C=C\c1cccnc1)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001345547664 1052502687 /nfs/dbraw/zinc/50/26/87/1052502687.db2.gz OMYLEKKVAIBKJA-WAYWQWQTSA-N 1 2 368.458 2.583 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C)CCC1 ZINC001345609358 1052537544 /nfs/dbraw/zinc/53/75/44/1052537544.db2.gz VQTBAZVHBMQXMF-OAGGEKHMSA-N 1 2 370.497 2.682 20 30 FFEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H](C#N)C1 ZINC001344489745 1052797652 /nfs/dbraw/zinc/79/76/52/1052797652.db2.gz MSKNVKQJWDEEAE-KRWDZBQOSA-N 1 2 369.517 2.767 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)[C@@H]1CC ZINC001344787097 1052927360 /nfs/dbraw/zinc/92/73/60/1052927360.db2.gz RQISNYHRRFGRIF-OKZBNKHCSA-N 1 2 358.486 2.524 20 30 FFEDLO CC(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(C)(C#N)CC1 ZINC001344823289 1052941912 /nfs/dbraw/zinc/94/19/12/1052941912.db2.gz RUGMQMICDNSBSJ-QGZVFWFLSA-N 1 2 374.533 2.846 20 30 FFEDLO CC(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(C)(C#N)CC1 ZINC001344823289 1052941915 /nfs/dbraw/zinc/94/19/15/1052941915.db2.gz RUGMQMICDNSBSJ-QGZVFWFLSA-N 1 2 374.533 2.846 20 30 FFEDLO Cc1cc(C#N)cc(C)c1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001348545857 1054779865 /nfs/dbraw/zinc/77/98/65/1054779865.db2.gz WAZPJLLJHVZVFF-FQEVSTJZSA-N 1 2 363.461 2.806 20 30 FFEDLO Cc1cc(C#N)cc(C)c1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001348545857 1054779874 /nfs/dbraw/zinc/77/98/74/1054779874.db2.gz WAZPJLLJHVZVFF-FQEVSTJZSA-N 1 2 363.461 2.806 20 30 FFEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCOC1 ZINC001349021185 1055055379 /nfs/dbraw/zinc/05/53/79/1055055379.db2.gz KYLPSBNRCSEICR-MSOLQXFVSA-N 1 2 372.517 2.601 20 30 FFEDLO C[N@H+]1CCCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCOC1 ZINC001349021185 1055055390 /nfs/dbraw/zinc/05/53/90/1055055390.db2.gz KYLPSBNRCSEICR-MSOLQXFVSA-N 1 2 372.517 2.601 20 30 FFEDLO C#CCC(C)(C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC1CC1 ZINC001349111147 1055101180 /nfs/dbraw/zinc/10/11/80/1055101180.db2.gz JZDQURZYBSUOKA-UHFFFAOYSA-N 1 2 364.497 2.711 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)c1coc(C2CC2)n1 ZINC001350310977 1055719175 /nfs/dbraw/zinc/71/91/75/1055719175.db2.gz CWHDOTQQLXGCAU-UHFFFAOYSA-N 1 2 372.446 2.654 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001356983031 1055737135 /nfs/dbraw/zinc/73/71/35/1055737135.db2.gz XQRSMWQEVMKLFY-WRQOLXDDSA-N 1 2 358.486 2.659 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001356983031 1055737139 /nfs/dbraw/zinc/73/71/39/1055737139.db2.gz XQRSMWQEVMKLFY-WRQOLXDDSA-N 1 2 358.486 2.659 20 30 FFEDLO C=CCn1c([C@@H](C)CCC#N)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001338724110 1055762100 /nfs/dbraw/zinc/76/21/00/1055762100.db2.gz UBBSETXRGJAGAU-KRWDZBQOSA-N 1 2 365.485 2.589 20 30 FFEDLO CN(Cc1ccc(C#N)cc1)c1nnc(C[NH+]2CCCC2)n1CC1CC1 ZINC001350557873 1055831572 /nfs/dbraw/zinc/83/15/72/1055831572.db2.gz NVRGOYKAGOYPPO-UHFFFAOYSA-N 1 2 350.470 2.792 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@@H](C)C[C@@H](C)C1 ZINC001338834808 1055857919 /nfs/dbraw/zinc/85/79/19/1055857919.db2.gz RAPLEXMDZNCLDJ-IAGOWNOFSA-N 1 2 361.534 2.541 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(C)(C#N)CC1 ZINC001338842080 1055864077 /nfs/dbraw/zinc/86/40/77/1055864077.db2.gz QKGDNEXHKVAZPA-IAGOWNOFSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(C)(C#N)CC1 ZINC001338842080 1055864081 /nfs/dbraw/zinc/86/40/81/1055864081.db2.gz QKGDNEXHKVAZPA-IAGOWNOFSA-N 1 2 370.501 2.520 20 30 FFEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cc[nH+]c(NC)c2)c1 ZINC001350917615 1056000266 /nfs/dbraw/zinc/00/02/66/1056000266.db2.gz QONGZNJWBCBAGL-INIZCTEOSA-N 1 2 353.426 2.804 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2c2cccs2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339067813 1056063911 /nfs/dbraw/zinc/06/39/11/1056063911.db2.gz DNVIGBBCSVIPFK-CLCXKQKWSA-N 1 2 373.526 2.779 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2c2cccs2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339067813 1056063925 /nfs/dbraw/zinc/06/39/25/1056063925.db2.gz DNVIGBBCSVIPFK-CLCXKQKWSA-N 1 2 373.526 2.779 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc([C@]2(C)C[C@H](O)C[N@@H+]2C)n1CC(C)C ZINC001358103928 1056140958 /nfs/dbraw/zinc/14/09/58/1056140958.db2.gz BUMWAELJKDWSBM-UWVAXJGDSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc([C@]2(C)C[C@H](O)C[N@H+]2C)n1CC(C)C ZINC001358103928 1056140962 /nfs/dbraw/zinc/14/09/62/1056140962.db2.gz BUMWAELJKDWSBM-UWVAXJGDSA-N 1 2 361.534 2.781 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CC2C(C)(C)C2(C)C)CC1 ZINC001351301461 1056182435 /nfs/dbraw/zinc/18/24/35/1056182435.db2.gz LDMBUTHRPAIJMB-MRXNPFEDSA-N 1 2 371.529 2.567 20 30 FFEDLO COCCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1cccc(C#N)c1 ZINC001358263513 1056222353 /nfs/dbraw/zinc/22/23/53/1056222353.db2.gz QNEBJFUXJIAOKZ-GOSISDBHSA-N 1 2 368.485 2.589 20 30 FFEDLO COCCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)Cc1cccc(C#N)c1 ZINC001358263513 1056222367 /nfs/dbraw/zinc/22/23/67/1056222367.db2.gz QNEBJFUXJIAOKZ-GOSISDBHSA-N 1 2 368.485 2.589 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@@H+]2CCn3c(C(C)C)nnc3[C@@H]2C)cc1 ZINC001351374041 1056230835 /nfs/dbraw/zinc/23/08/35/1056230835.db2.gz AZZITRULEGNRCF-HNNXBMFYSA-N 1 2 351.454 2.788 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@H+]2CCn3c(C(C)C)nnc3[C@@H]2C)cc1 ZINC001351374041 1056230848 /nfs/dbraw/zinc/23/08/48/1056230848.db2.gz AZZITRULEGNRCF-HNNXBMFYSA-N 1 2 351.454 2.788 20 30 FFEDLO Cn1cc(C#N)c(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)n1 ZINC000611140974 1056443234 /nfs/dbraw/zinc/44/32/34/1056443234.db2.gz PDQCRIYGRGAPFI-UHFFFAOYSA-N 1 2 359.393 2.851 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@@]2(C)CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001358855967 1056504551 /nfs/dbraw/zinc/50/45/51/1056504551.db2.gz UAQINAHACMYXIC-JXXFODFXSA-N 1 2 370.497 2.614 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@@]2(C)CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001358855967 1056504564 /nfs/dbraw/zinc/50/45/64/1056504564.db2.gz UAQINAHACMYXIC-JXXFODFXSA-N 1 2 370.497 2.614 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001339499733 1056518058 /nfs/dbraw/zinc/51/80/58/1056518058.db2.gz LWVZJOVYFLSSMC-ROUUACIJSA-N 1 2 372.517 2.539 20 30 FFEDLO CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001339623489 1056648291 /nfs/dbraw/zinc/64/82/91/1056648291.db2.gz MFMXSVWRAOVXIZ-HZPDHXFCSA-N 1 2 370.888 2.901 20 30 FFEDLO C[C@H]1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2C)CC12CCC2 ZINC001339627124 1056652699 /nfs/dbraw/zinc/65/26/99/1056652699.db2.gz FAYDIPGMNIQROS-INIZCTEOSA-N 1 2 356.518 2.925 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(F)c(C)c2)CC1 ZINC001359028753 1056665772 /nfs/dbraw/zinc/66/57/72/1056665772.db2.gz CUYYSACQURTAFQ-UHFFFAOYSA-N 1 2 369.488 2.827 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCCCC=C)CC1 ZINC001359035362 1056666804 /nfs/dbraw/zinc/66/68/04/1056666804.db2.gz RPBUXDLNHPUGSW-GOSISDBHSA-N 1 2 357.502 2.631 20 30 FFEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC001300392683 1056672806 /nfs/dbraw/zinc/67/28/06/1056672806.db2.gz GYFXANPVVMSXGG-FQEVSTJZSA-N 1 2 360.417 2.609 20 30 FFEDLO C=CCN(c1nnc(CC2CCCC2)n1CC[N@H+]1CCOC[C@@H]1C)C1CC1 ZINC001359253052 1056906011 /nfs/dbraw/zinc/90/60/11/1056906011.db2.gz QROABTVMJKWKCR-KRWDZBQOSA-N 1 2 373.545 2.886 20 30 FFEDLO C=CCN(c1nnc(CC2CCCC2)n1CC[N@@H+]1CCOC[C@@H]1C)C1CC1 ZINC001359253052 1056906020 /nfs/dbraw/zinc/90/60/20/1056906020.db2.gz QROABTVMJKWKCR-KRWDZBQOSA-N 1 2 373.545 2.886 20 30 FFEDLO O=C(CCC(F)(F)F)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001518016801 1058236993 /nfs/dbraw/zinc/23/69/93/1058236993.db2.gz CWEHGFKPAWUICV-UHFFFAOYSA-N 1 2 361.385 2.818 20 30 FFEDLO CC[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001545402770 1071778710 /nfs/dbraw/zinc/77/87/10/1071778710.db2.gz FBYPUCMZTBVPAW-IRXDYDNUSA-N 1 2 374.533 2.642 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1C1CCC1)C1CC[NH+](Cc2nocc2C)CC1 ZINC001500052382 1058432102 /nfs/dbraw/zinc/43/21/02/1058432102.db2.gz ZQALKUGAGXMYDU-RBUKOAKNSA-N 1 2 355.482 2.845 20 30 FFEDLO C#CCN(C)c1nnc(CC2CCCC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001300470334 1058450033 /nfs/dbraw/zinc/45/00/33/1058450033.db2.gz MIEGLVQKLHRWBC-UHFFFAOYSA-N 1 2 352.486 2.590 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001353987632 1058468923 /nfs/dbraw/zinc/46/89/23/1058468923.db2.gz OZGKYMMZYLTAHL-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001353987632 1058468929 /nfs/dbraw/zinc/46/89/29/1058468929.db2.gz OZGKYMMZYLTAHL-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO CCc1nnc(N(CCC#N)CC2CC2)n1CCc1cn2ccccc2[nH+]1 ZINC001513821353 1058589889 /nfs/dbraw/zinc/58/98/89/1058589889.db2.gz UPJVRNKRIQCMJU-UHFFFAOYSA-N 1 2 363.469 2.861 20 30 FFEDLO C=CCC1(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001501882813 1058731524 /nfs/dbraw/zinc/73/15/24/1058731524.db2.gz NIVMTWGZKQZGEV-TZNMXKOXSA-N 1 2 370.497 2.828 20 30 FFEDLO C=CCC1(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001501882813 1058731537 /nfs/dbraw/zinc/73/15/37/1058731537.db2.gz NIVMTWGZKQZGEV-TZNMXKOXSA-N 1 2 370.497 2.828 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCc2ccccc2CC1 ZINC001515042101 1059253111 /nfs/dbraw/zinc/25/31/11/1059253111.db2.gz KACJCWAPHRFWCZ-UHFFFAOYSA-N 1 2 362.481 2.784 20 30 FFEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001452825359 1059304218 /nfs/dbraw/zinc/30/42/18/1059304218.db2.gz KVKTVYUWBMZCOC-DEYYWGMASA-N 1 2 369.469 2.815 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CCC2(COC)CCC2)CC1 ZINC001300682286 1059316793 /nfs/dbraw/zinc/31/67/93/1059316793.db2.gz JSOLMFVTAKUXCQ-UHFFFAOYSA-N 1 2 373.545 2.538 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC2(C)CCC2)CC1 ZINC001300695456 1059379873 /nfs/dbraw/zinc/37/98/73/1059379873.db2.gz BRVDPDWVXAFHBN-UHFFFAOYSA-N 1 2 364.497 2.594 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(CCC)CC2)CC1 ZINC001300697944 1059391375 /nfs/dbraw/zinc/39/13/75/1059391375.db2.gz LKAKDLSXDLBDDM-SFHVURJKSA-N 1 2 371.529 2.855 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001515296246 1059512665 /nfs/dbraw/zinc/51/26/65/1059512665.db2.gz OFPPZXYLJWYNBA-HOTGVXAUSA-N 1 2 371.489 2.696 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001515296246 1059512685 /nfs/dbraw/zinc/51/26/85/1059512685.db2.gz OFPPZXYLJWYNBA-HOTGVXAUSA-N 1 2 371.489 2.696 20 30 FFEDLO C=CCCCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001515343593 1059585068 /nfs/dbraw/zinc/58/50/68/1059585068.db2.gz QAEGPWJCGMJFSL-XMTFNYHQSA-N 1 2 372.513 2.623 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(C)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001507519601 1059618229 /nfs/dbraw/zinc/61/82/29/1059618229.db2.gz TWJPDPIRNJRXQF-MRXNPFEDSA-N 1 2 352.486 2.724 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CC(F)(F)c2ccccc2)CC1 ZINC001507720831 1059699546 /nfs/dbraw/zinc/69/95/46/1059699546.db2.gz GBOKNBCANRMMAL-UHFFFAOYSA-N 1 2 373.451 2.949 20 30 FFEDLO C[C@@H](C(=O)[C@@H](C#N)c1nccn1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001515838439 1059831982 /nfs/dbraw/zinc/83/19/82/1059831982.db2.gz TUNFZNLRIVREDO-QFBILLFUSA-N 1 2 350.466 2.940 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2CCC(=NNCCCn3cc[nH+]c3)C[C@@H]2C1 ZINC000848416701 1059972708 /nfs/dbraw/zinc/97/27/08/1059972708.db2.gz VDDWVQJYGHQORW-JKSUJKDBSA-N 1 2 361.490 2.886 20 30 FFEDLO CCn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N(C)C[C@H](C)C#N ZINC001520758224 1060040895 /nfs/dbraw/zinc/04/08/95/1060040895.db2.gz VYMNEBUSJMLURO-MRXNPFEDSA-N 1 2 363.469 2.729 20 30 FFEDLO CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001520856995 1060144317 /nfs/dbraw/zinc/14/43/17/1060144317.db2.gz JYWKMEAIDVRBML-UHFFFAOYSA-N 1 2 373.464 2.860 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2C[C@H]2CCCCO2)C1 ZINC001516865018 1060254255 /nfs/dbraw/zinc/25/42/55/1060254255.db2.gz DYSDUUMEFQWPJK-RTBURBONSA-N 1 2 371.529 2.683 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)CCn3cc[nH+]c3)C2)CCC1 ZINC001574663025 1078052862 /nfs/dbraw/zinc/05/28/62/1078052862.db2.gz JRLVSNXAOCISSJ-UWJYYQICSA-N 1 2 370.497 2.517 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(c2ccn(C)n2)CC1 ZINC001355929155 1060738003 /nfs/dbraw/zinc/73/80/03/1060738003.db2.gz IFDFEVQMHHGKEC-SFHVURJKSA-N 1 2 369.517 2.738 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(c2ccn(C)n2)CC1 ZINC001355929155 1060738019 /nfs/dbraw/zinc/73/80/19/1060738019.db2.gz IFDFEVQMHHGKEC-SFHVURJKSA-N 1 2 369.517 2.738 20 30 FFEDLO N#Cc1cncc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC001459414956 1060758790 /nfs/dbraw/zinc/75/87/90/1060758790.db2.gz MIMOFCPDUNOLGB-UHFFFAOYSA-N 1 2 354.417 2.695 20 30 FFEDLO C=C(C)Cn1c(N2CCC(C(C)C)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001355959224 1060764215 /nfs/dbraw/zinc/76/42/15/1060764215.db2.gz YJHLZECLICXHRS-FXAWDEMLSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CCC(C(C)C)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001355959224 1060764232 /nfs/dbraw/zinc/76/42/32/1060764232.db2.gz YJHLZECLICXHRS-FXAWDEMLSA-N 1 2 361.534 2.638 20 30 FFEDLO N#CCc1ccc(C[N@@H+]2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 ZINC001460960450 1061166952 /nfs/dbraw/zinc/16/69/52/1061166952.db2.gz KLTVTUSFTYDWDB-HZPDHXFCSA-N 1 2 372.412 2.694 20 30 FFEDLO N#CCc1ccc(C[N@H+]2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 ZINC001460960450 1061166955 /nfs/dbraw/zinc/16/69/55/1061166955.db2.gz KLTVTUSFTYDWDB-HZPDHXFCSA-N 1 2 372.412 2.694 20 30 FFEDLO N#Cc1cc(C(=O)Nc2ccc(C(N)=O)cc2-n2cc[nH+]c2)ccc1Cl ZINC001526658001 1061206011 /nfs/dbraw/zinc/20/60/11/1061206011.db2.gz YZRIWYURPAWISI-UHFFFAOYSA-N 1 2 365.780 2.749 20 30 FFEDLO C#CC[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1)C(=O)OC ZINC001462332303 1061584192 /nfs/dbraw/zinc/58/41/92/1061584192.db2.gz IPWGTFPZCOFNGL-HUUCEWRRSA-N 1 2 352.475 2.567 20 30 FFEDLO C[C@H]1CSCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1 ZINC001527922014 1061688478 /nfs/dbraw/zinc/68/84/78/1061688478.db2.gz KVYQPBLVKFZCDR-HNNXBMFYSA-N 1 2 374.558 2.723 20 30 FFEDLO C=C(C)CCC(=O)N(CCC)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001530026324 1062468431 /nfs/dbraw/zinc/46/84/31/1062468431.db2.gz YGIAFHMRCITLOS-BRWVUGGUSA-N 1 2 358.486 2.709 20 30 FFEDLO C=C(C)CCC(=O)N(CCC)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001530026324 1062468441 /nfs/dbraw/zinc/46/84/41/1062468441.db2.gz YGIAFHMRCITLOS-BRWVUGGUSA-N 1 2 358.486 2.709 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc([C@]3(C)C[C@@H](O)C[N@H+]3C)n2CC(=C)C)C1 ZINC001523777135 1062617491 /nfs/dbraw/zinc/61/74/91/1062617491.db2.gz IIFJRWJJLKHMMR-HLIPFELVSA-N 1 2 359.518 2.558 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc([C@]3(C)C[C@@H](O)C[N@@H+]3C)n2CC(=C)C)C1 ZINC001523777135 1062617497 /nfs/dbraw/zinc/61/74/97/1062617497.db2.gz IIFJRWJJLKHMMR-HLIPFELVSA-N 1 2 359.518 2.558 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)on2)CC[C@@H]1c1ccccc1 ZINC001479618537 1062628251 /nfs/dbraw/zinc/62/82/51/1062628251.db2.gz ZCJYGNRDFQCUQB-WOJBJXKFSA-N 1 2 369.465 2.660 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)on2)CC[C@@H]1c1ccccc1 ZINC001479618537 1062628258 /nfs/dbraw/zinc/62/82/58/1062628258.db2.gz ZCJYGNRDFQCUQB-WOJBJXKFSA-N 1 2 369.465 2.660 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)on2)[C@@H]1CC ZINC001479633620 1062663264 /nfs/dbraw/zinc/66/32/64/1062663264.db2.gz NONHZCWQMMQXDO-YRNRMSPPSA-N 1 2 363.502 2.768 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)on2)[C@@H]1CC ZINC001479633620 1062663286 /nfs/dbraw/zinc/66/32/86/1062663286.db2.gz NONHZCWQMMQXDO-YRNRMSPPSA-N 1 2 363.502 2.768 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@H+](Cc2cn(C(C)(C)C)nn2)[C@@H]1CC ZINC001479640597 1062690835 /nfs/dbraw/zinc/69/08/35/1062690835.db2.gz RXENELVNOJCAJP-ZWKOTPCHSA-N 1 2 359.518 2.696 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2cn(C(C)(C)C)nn2)[C@@H]1CC ZINC001479640597 1062690842 /nfs/dbraw/zinc/69/08/42/1062690842.db2.gz RXENELVNOJCAJP-ZWKOTPCHSA-N 1 2 359.518 2.696 20 30 FFEDLO Cn1c[nH+]c(CCNC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 ZINC001436619499 1062750597 /nfs/dbraw/zinc/75/05/97/1062750597.db2.gz HBJXOXVOEHHPCJ-UHFFFAOYSA-N 1 2 360.417 2.843 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)[C@@H]1C ZINC001479702621 1062835380 /nfs/dbraw/zinc/83/53/80/1062835380.db2.gz ATNJLQRULXRLBZ-PUECVXPYSA-N 1 2 354.853 2.885 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)[C@@H]1C ZINC001479702621 1062835404 /nfs/dbraw/zinc/83/54/04/1062835404.db2.gz ATNJLQRULXRLBZ-PUECVXPYSA-N 1 2 354.853 2.885 20 30 FFEDLO C=C(C)[C@H](CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1)OCC ZINC001438580515 1063018928 /nfs/dbraw/zinc/01/89/28/1063018928.db2.gz TXTSZFLQSIEVJK-UXHICEINSA-N 1 2 360.498 2.683 20 30 FFEDLO C=C(C)[C@H](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1)OCC ZINC001438580515 1063018945 /nfs/dbraw/zinc/01/89/45/1063018945.db2.gz TXTSZFLQSIEVJK-UXHICEINSA-N 1 2 360.498 2.683 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC12CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001493415466 1063155991 /nfs/dbraw/zinc/15/59/91/1063155991.db2.gz UPFFLWPERHYEBR-INMHGKMJSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC12CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001493415466 1063155998 /nfs/dbraw/zinc/15/59/98/1063155998.db2.gz UPFFLWPERHYEBR-INMHGKMJSA-N 1 2 370.497 2.613 20 30 FFEDLO C#CCCCNC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001525467269 1063305453 /nfs/dbraw/zinc/30/54/53/1063305453.db2.gz JABLETMNSHMXEX-UHFFFAOYSA-N 1 2 373.497 2.543 20 30 FFEDLO C#CCCCNC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001525467269 1063305474 /nfs/dbraw/zinc/30/54/74/1063305474.db2.gz JABLETMNSHMXEX-UHFFFAOYSA-N 1 2 373.497 2.543 20 30 FFEDLO N#C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC001440869277 1063365612 /nfs/dbraw/zinc/36/56/12/1063365612.db2.gz ZKAVNNKZMGUZOC-HNNXBMFYSA-N 1 2 365.324 2.914 20 30 FFEDLO N#CC[C@]1(O)CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC001466433412 1063431916 /nfs/dbraw/zinc/43/19/16/1063431916.db2.gz LLDYDSOQJVZMLF-FQEVSTJZSA-N 1 2 365.437 2.769 20 30 FFEDLO C#CCNC(=O)c1ccccc1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001442752227 1063562517 /nfs/dbraw/zinc/56/25/17/1063562517.db2.gz UGLPPLJZYCDWOH-SFHVURJKSA-N 1 2 372.428 2.933 20 30 FFEDLO C#Cc1ccc(NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC001467487617 1063758756 /nfs/dbraw/zinc/75/87/56/1063758756.db2.gz DZXFUBXZJBQRAN-OAQYLSRUSA-N 1 2 363.461 2.733 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001498406130 1063820183 /nfs/dbraw/zinc/82/01/83/1063820183.db2.gz XMASUDGSPOMNHH-CCKFTAQKSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001498406130 1063820197 /nfs/dbraw/zinc/82/01/97/1063820197.db2.gz XMASUDGSPOMNHH-CCKFTAQKSA-N 1 2 359.445 2.615 20 30 FFEDLO C=CC1(CC(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCCC1 ZINC001498598927 1063833782 /nfs/dbraw/zinc/83/37/82/1063833782.db2.gz BAINOGXWRFIZTH-IAGOWNOFSA-N 1 2 370.497 2.614 20 30 FFEDLO C=CC1(CC(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCCC1 ZINC001498598927 1063833792 /nfs/dbraw/zinc/83/37/92/1063833792.db2.gz BAINOGXWRFIZTH-IAGOWNOFSA-N 1 2 370.497 2.614 20 30 FFEDLO N#Cc1ccc(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1F ZINC001470420065 1064328403 /nfs/dbraw/zinc/32/84/03/1064328403.db2.gz RKJBOEPEXAPUPB-UHFFFAOYSA-N 1 2 363.396 2.942 20 30 FFEDLO C#C[C@@H](NC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1)C(C)(C)C ZINC001471101395 1064558598 /nfs/dbraw/zinc/55/85/98/1064558598.db2.gz MBIBWIQPLVRWMT-RBUKOAKNSA-N 1 2 357.498 2.543 20 30 FFEDLO C#C[C@@H](NC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1)C(C)(C)C ZINC001471101395 1064558606 /nfs/dbraw/zinc/55/86/06/1064558606.db2.gz MBIBWIQPLVRWMT-RBUKOAKNSA-N 1 2 357.498 2.543 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CCCCCc1c[nH]nn1 ZINC001575060179 1078102516 /nfs/dbraw/zinc/10/25/16/1078102516.db2.gz VEMMMNFOCVIKBH-INIZCTEOSA-N 1 2 353.898 2.631 20 30 FFEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CCCCCc1c[nH]nn1 ZINC001575060179 1078102519 /nfs/dbraw/zinc/10/25/19/1078102519.db2.gz VEMMMNFOCVIKBH-INIZCTEOSA-N 1 2 353.898 2.631 20 30 FFEDLO C=CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2cn[nH]n2)CC1)c1ccccc1 ZINC001575078181 1078103981 /nfs/dbraw/zinc/10/39/81/1078103981.db2.gz GZJZRBYWBNRPLV-SFHVURJKSA-N 1 2 353.470 2.635 20 30 FFEDLO C=CCC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2c[nH]nn2)C1)c1ccccc1 ZINC001575088249 1078105277 /nfs/dbraw/zinc/10/52/77/1078105277.db2.gz ZNFCELBAMBBPDE-SZVBFZGTSA-N 1 2 353.470 2.539 20 30 FFEDLO C=CCC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cn[nH]n2)C1)c1ccccc1 ZINC001575088249 1078105281 /nfs/dbraw/zinc/10/52/81/1078105281.db2.gz ZNFCELBAMBBPDE-SZVBFZGTSA-N 1 2 353.470 2.539 20 30 FFEDLO C=CCCC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)c2cccs2)CC1 ZINC001575094451 1078106209 /nfs/dbraw/zinc/10/62/09/1078106209.db2.gz YGDBJOCJXBOIAB-UHFFFAOYSA-N 1 2 359.499 2.939 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2ccc(Cl)cc2O)C1 ZINC001474424757 1065518044 /nfs/dbraw/zinc/51/80/44/1065518044.db2.gz PKQYVLJEKDUPIG-OCCSQVGLSA-N 1 2 351.834 2.894 20 30 FFEDLO N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC001556699407 1075765600 /nfs/dbraw/zinc/76/56/00/1075765600.db2.gz RSNCNOMZNYUASQ-GOSISDBHSA-N 1 2 358.401 2.688 20 30 FFEDLO N#Cc1cccc(-c2nc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)n[nH]2)c1 ZINC001559045568 1076120595 /nfs/dbraw/zinc/12/05/95/1076120595.db2.gz RQPQMANLMTZFHQ-GOSISDBHSA-N 1 2 372.432 2.946 20 30 FFEDLO N#Cc1cccc(-c2nc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)n[nH]2)c1 ZINC001559045568 1076120597 /nfs/dbraw/zinc/12/05/97/1076120597.db2.gz RQPQMANLMTZFHQ-GOSISDBHSA-N 1 2 372.432 2.946 20 30 FFEDLO N#C[C@@H](C1CCCC1)n1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC001559370888 1076153185 /nfs/dbraw/zinc/15/31/85/1076153185.db2.gz OLZXJMOWEJCBGN-ROUUACIJSA-N 1 2 352.442 2.501 20 30 FFEDLO N#C[C@@H](C1CCCC1)n1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC001559370888 1076153192 /nfs/dbraw/zinc/15/31/92/1076153192.db2.gz OLZXJMOWEJCBGN-ROUUACIJSA-N 1 2 352.442 2.501 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[N@H+](CCC2(C#N)CCCCC2)[C@H](CO)C1 ZINC001560135964 1076232894 /nfs/dbraw/zinc/23/28/94/1076232894.db2.gz GZQFLBPQKCMEFK-INIZCTEOSA-N 1 2 351.491 2.764 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCC2(C#N)CCCCC2)[C@H](CO)C1 ZINC001560135964 1076232897 /nfs/dbraw/zinc/23/28/97/1076232897.db2.gz GZQFLBPQKCMEFK-INIZCTEOSA-N 1 2 351.491 2.764 20 30 FFEDLO C=CC[C@@H]1CCCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC001564112673 1076606729 /nfs/dbraw/zinc/60/67/29/1076606729.db2.gz QYFIEPQQRNWQPG-RTWAWAEBSA-N 1 2 371.525 2.928 20 30 FFEDLO N#Cc1cccnc1NCc1cccc(C(=O)NCCCCn2cc[nH+]c2)c1 ZINC001565610079 1076745734 /nfs/dbraw/zinc/74/57/34/1076745734.db2.gz JVPVFBDIGJLPGX-UHFFFAOYSA-N 1 2 374.448 2.972 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)CC[C@@H]1c1ccccc1 ZINC001565998608 1076834199 /nfs/dbraw/zinc/83/41/99/1076834199.db2.gz BDZKLCPZSSSDCY-NSISKUIASA-N 1 2 369.509 2.603 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)CC[C@@H]1c1ccccc1 ZINC001565998608 1076834202 /nfs/dbraw/zinc/83/42/02/1076834202.db2.gz BDZKLCPZSSSDCY-NSISKUIASA-N 1 2 369.509 2.603 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)COC)C1 ZINC001566004067 1076838913 /nfs/dbraw/zinc/83/89/13/1076838913.db2.gz WIMUBYZZBIZBBY-ROUUACIJSA-N 1 2 366.889 2.758 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)COC)C1 ZINC001566004067 1076838917 /nfs/dbraw/zinc/83/89/17/1076838917.db2.gz WIMUBYZZBIZBBY-ROUUACIJSA-N 1 2 366.889 2.758 20 30 FFEDLO N#Cc1cccnc1OC1CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001567795663 1077053429 /nfs/dbraw/zinc/05/34/29/1077053429.db2.gz QGZOKTHTUAXUFV-UHFFFAOYSA-N 1 2 361.405 2.950 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC001572915655 1077433380 /nfs/dbraw/zinc/43/33/80/1077433380.db2.gz JRHIIQGSSGAILR-CRAIPNDOSA-N 1 2 366.465 2.661 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(-c2ccccn2)n1CCc1cn2ccccc2[nH+]1 ZINC001587609382 1079826633 /nfs/dbraw/zinc/82/66/33/1079826633.db2.gz OGZVWKFYUSCZEF-INIZCTEOSA-N 1 2 371.448 2.688 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2Cc2cc(F)ccc2F)CC1 ZINC001588806471 1080203918 /nfs/dbraw/zinc/20/39/18/1080203918.db2.gz RROUSBDTQCILMK-UHFFFAOYSA-N 1 2 371.435 2.627 20 30 FFEDLO CC(C)(C#N)c1ccc(C[NH+]2CC(Oc3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC001589036165 1080317219 /nfs/dbraw/zinc/31/72/19/1080317219.db2.gz VABGPUGITYMOHD-UHFFFAOYSA-N 1 2 374.448 2.931 20 30 FFEDLO C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1Cc1c[nH+]ccc1OC ZINC001589224157 1080431287 /nfs/dbraw/zinc/43/12/87/1080431287.db2.gz XKTYGVZIDHLCBN-HXUWFJFHSA-N 1 2 353.470 2.921 20 30 FFEDLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000359870858 210193367 /nfs/dbraw/zinc/19/33/67/210193367.db2.gz JPSUSLCWCWXKPD-BEFAXECRSA-N 1 2 355.463 2.810 20 30 FFEDLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000359870858 210193370 /nfs/dbraw/zinc/19/33/70/210193370.db2.gz JPSUSLCWCWXKPD-BEFAXECRSA-N 1 2 355.463 2.810 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2ncn(-c3ccccc3)n2)CC1 ZINC000092794031 250003961 /nfs/dbraw/zinc/00/39/61/250003961.db2.gz NKXUKAPOQVFDBE-UHFFFAOYSA-N 1 2 358.449 2.851 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2ncn(-c3ccccc3)n2)CC1 ZINC000092794031 250003966 /nfs/dbraw/zinc/00/39/66/250003966.db2.gz NKXUKAPOQVFDBE-UHFFFAOYSA-N 1 2 358.449 2.851 20 30 FFEDLO C[C@@H](CCO)[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000093304368 250026773 /nfs/dbraw/zinc/02/67/73/250026773.db2.gz VPIJODSXLRIXLH-KRWDZBQOSA-N 1 2 372.490 2.605 20 30 FFEDLO C[C@@H](CCO)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000093304368 250026776 /nfs/dbraw/zinc/02/67/76/250026776.db2.gz VPIJODSXLRIXLH-KRWDZBQOSA-N 1 2 372.490 2.605 20 30 FFEDLO CCc1nn(C)c(Cl)c1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000116871546 250319999 /nfs/dbraw/zinc/31/99/99/250319999.db2.gz ZLJLMPODPKRDBT-UHFFFAOYSA-N 1 2 361.852 2.969 20 30 FFEDLO CC(C)COC[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccco1 ZINC000273488368 252316006 /nfs/dbraw/zinc/31/60/06/252316006.db2.gz JYXSTDATNHXALT-SFHVURJKSA-N 1 2 355.438 2.771 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000277634447 256220087 /nfs/dbraw/zinc/22/00/87/256220087.db2.gz BOQBSGJPFZHBTO-UXIGCNINSA-N 1 2 355.360 2.520 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000277634447 256220088 /nfs/dbraw/zinc/22/00/88/256220088.db2.gz BOQBSGJPFZHBTO-UXIGCNINSA-N 1 2 355.360 2.520 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]([C@H](O)C(F)(F)F)C3)o2)cc1 ZINC000277930583 256257123 /nfs/dbraw/zinc/25/71/23/256257123.db2.gz YRJMXCJQFWUBOD-ZFWWWQNUSA-N 1 2 366.343 2.743 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]([C@H](O)C(F)(F)F)C3)o2)cc1 ZINC000277930583 256257124 /nfs/dbraw/zinc/25/71/24/256257124.db2.gz YRJMXCJQFWUBOD-ZFWWWQNUSA-N 1 2 366.343 2.743 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](C)[S@@]1=O ZINC000285847679 257007801 /nfs/dbraw/zinc/00/78/01/257007801.db2.gz HYFRYSGONQFCCX-NXTRLVNHSA-N 1 2 356.495 2.690 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](C)[S@@]1=O ZINC000285847679 257007802 /nfs/dbraw/zinc/00/78/02/257007802.db2.gz HYFRYSGONQFCCX-NXTRLVNHSA-N 1 2 356.495 2.690 20 30 FFEDLO COc1c(C)c[nH+]c(CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)c1C ZINC000071907308 221387006 /nfs/dbraw/zinc/38/70/06/221387006.db2.gz SWHFXURRJBMKLV-FQEVSTJZSA-N 1 2 364.405 2.546 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000285110550 256969622 /nfs/dbraw/zinc/96/96/22/256969622.db2.gz JICSYNVOXLPZMN-UHFFFAOYSA-N 1 2 358.829 2.775 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC(n4cc[nH+]c4)CC3)C2)c(F)c1 ZINC000286730822 257052019 /nfs/dbraw/zinc/05/20/19/257052019.db2.gz DNKKJGRVSSMKKH-MRXNPFEDSA-N 1 2 367.428 2.584 20 30 FFEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000287780766 257112119 /nfs/dbraw/zinc/11/21/19/257112119.db2.gz YTSQBPKQQSKOET-UHFFFAOYSA-N 1 2 365.424 2.510 20 30 FFEDLO COCC[N@H+](Cc1ccccn1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000287325716 257083471 /nfs/dbraw/zinc/08/34/71/257083471.db2.gz KGAJPPKPJXUYJU-HXUWFJFHSA-N 1 2 364.449 2.597 20 30 FFEDLO COCC[N@@H+](Cc1ccccn1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000287325716 257083472 /nfs/dbraw/zinc/08/34/72/257083472.db2.gz KGAJPPKPJXUYJU-HXUWFJFHSA-N 1 2 364.449 2.597 20 30 FFEDLO N#Cc1ccc(C[N@H+](CCCN2CCOCC2)Cc2ccncc2)c(F)c1 ZINC000289829201 257301983 /nfs/dbraw/zinc/30/19/83/257301983.db2.gz OOQNRDDYIMSJCC-UHFFFAOYSA-N 1 2 368.456 2.817 20 30 FFEDLO N#Cc1ccc(C[N@@H+](CCCN2CCOCC2)Cc2ccncc2)c(F)c1 ZINC000289829201 257301984 /nfs/dbraw/zinc/30/19/84/257301984.db2.gz OOQNRDDYIMSJCC-UHFFFAOYSA-N 1 2 368.456 2.817 20 30 FFEDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290217196 257320850 /nfs/dbraw/zinc/32/08/50/257320850.db2.gz HRQMAYSOKVVTNZ-LBPRGKRZSA-N 1 2 365.405 2.698 20 30 FFEDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290217196 257320851 /nfs/dbraw/zinc/32/08/51/257320851.db2.gz HRQMAYSOKVVTNZ-LBPRGKRZSA-N 1 2 365.405 2.698 20 30 FFEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000301395523 258047429 /nfs/dbraw/zinc/04/74/29/258047429.db2.gz LNILWZUHMQXEJD-UHFFFAOYSA-N 1 2 364.428 2.610 20 30 FFEDLO CCOc1nnc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)s1 ZINC000299660538 258014563 /nfs/dbraw/zinc/01/45/63/258014563.db2.gz RJZWJLNANZWXEY-UHFFFAOYSA-N 1 2 371.466 2.659 20 30 FFEDLO Cc1ccc(N2CC[NH+](CC(=O)Nc3c(C)cccc3C)CC2)nc1C#N ZINC000302693097 258108069 /nfs/dbraw/zinc/10/80/69/258108069.db2.gz FZMZWCHMTLNBSU-UHFFFAOYSA-N 1 2 363.465 2.639 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c(C#N)c1C ZINC000330650223 258167373 /nfs/dbraw/zinc/16/73/73/258167373.db2.gz HNDQDPNJYLJIES-AWEZNQCLSA-N 1 2 374.485 2.674 20 30 FFEDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)c3cc(C#N)ccc3C)CC2)c1 ZINC000332100138 258214003 /nfs/dbraw/zinc/21/40/03/258214003.db2.gz DTIUHKUIZDZIKH-UHFFFAOYSA-N 1 2 369.490 2.682 20 30 FFEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(C#N)cc3OC(F)F)[C@@H]2C1 ZINC000332249642 258221345 /nfs/dbraw/zinc/22/13/45/258221345.db2.gz XMDUDAIWSGQUFN-OAGGEKHMSA-N 1 2 352.381 2.928 20 30 FFEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(C#N)cc3OC(F)F)[C@@H]2C1 ZINC000332249642 258221346 /nfs/dbraw/zinc/22/13/46/258221346.db2.gz XMDUDAIWSGQUFN-OAGGEKHMSA-N 1 2 352.381 2.928 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC1CCN(C(C)=O)CC1)Cc1ccc(Cl)s1 ZINC000052892243 506273453 /nfs/dbraw/zinc/27/34/53/506273453.db2.gz KSWMHIHMXPSQRX-UHFFFAOYSA-N 1 2 369.918 2.517 20 30 FFEDLO C=CC[N@H+](CC(=O)NC1CCN(C(C)=O)CC1)Cc1ccc(Cl)s1 ZINC000052892243 506273461 /nfs/dbraw/zinc/27/34/61/506273461.db2.gz KSWMHIHMXPSQRX-UHFFFAOYSA-N 1 2 369.918 2.517 20 30 FFEDLO N#C[C@H]1N(C(=O)c2cccc(-n3cc[nH+]c3)c2)CCC[C@]12CCCCO2 ZINC000377273817 512196625 /nfs/dbraw/zinc/19/66/25/512196625.db2.gz RTZNKGNYGWPUDE-UYAOXDASSA-N 1 2 350.422 2.940 20 30 FFEDLO N#CC1(CCC[N@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)CCOCC1 ZINC000369194983 512277884 /nfs/dbraw/zinc/27/78/84/512277884.db2.gz SFCGZCUFMVDDIE-UHFFFAOYSA-N 1 2 359.445 2.570 20 30 FFEDLO N#CC1(CCC[N@@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)CCOCC1 ZINC000369194983 512277888 /nfs/dbraw/zinc/27/78/88/512277888.db2.gz SFCGZCUFMVDDIE-UHFFFAOYSA-N 1 2 359.445 2.570 20 30 FFEDLO C=CCN(CC(F)(F)F)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000066292295 506471049 /nfs/dbraw/zinc/47/10/49/506471049.db2.gz DOEKPZOJVNQZNN-UHFFFAOYSA-N 1 2 354.288 2.971 20 30 FFEDLO CN(C)c1ncnc(Cl)c1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000366979657 512279473 /nfs/dbraw/zinc/27/94/73/512279473.db2.gz DDKFZFVOEIOLHP-UHFFFAOYSA-N 1 2 356.861 2.648 20 30 FFEDLO N#Cc1cccnc1N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000066437574 506519383 /nfs/dbraw/zinc/51/93/83/506519383.db2.gz JGDJYFWOEBQTBB-UHFFFAOYSA-N 1 2 366.856 2.967 20 30 FFEDLO N#Cc1cccnc1N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000066437574 506519391 /nfs/dbraw/zinc/51/93/91/506519391.db2.gz JGDJYFWOEBQTBB-UHFFFAOYSA-N 1 2 366.856 2.967 20 30 FFEDLO CCCCc1nc(CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)no1 ZINC000067098932 506757100 /nfs/dbraw/zinc/75/71/00/506757100.db2.gz LHBZWQQFIYFRAE-UHFFFAOYSA-N 1 2 358.446 2.635 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1csc(Br)c1 ZINC000067462866 506890655 /nfs/dbraw/zinc/89/06/55/506890655.db2.gz JOJTZTNJVHBLGP-CQSZACIVSA-N 1 2 358.305 2.997 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1csc(Br)c1 ZINC000067462866 506890662 /nfs/dbraw/zinc/89/06/62/506890662.db2.gz JOJTZTNJVHBLGP-CQSZACIVSA-N 1 2 358.305 2.997 20 30 FFEDLO C[C@H](CCc1ccco1)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000045034675 506909392 /nfs/dbraw/zinc/90/93/92/506909392.db2.gz QOSBAVMISNBGGK-QGZVFWFLSA-N 1 2 366.465 3.000 20 30 FFEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-] ZINC000015742286 507057289 /nfs/dbraw/zinc/05/72/89/507057289.db2.gz KCWUDIXSFJEDDJ-UHFFFAOYSA-N 1 2 364.405 2.733 20 30 FFEDLO C#Cc1cccc(NC(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c1 ZINC000045987890 507059241 /nfs/dbraw/zinc/05/92/41/507059241.db2.gz UIRPUNHPKAUNEP-HNNXBMFYSA-N 1 2 350.422 2.610 20 30 FFEDLO N#Cc1cc(NC(=O)NCCCn2cc[nH+]c2)ccc1OCC(F)(F)F ZINC000046033539 507066450 /nfs/dbraw/zinc/06/64/50/507066450.db2.gz AYOJCTWSMIICGY-UHFFFAOYSA-N 1 2 367.331 2.908 20 30 FFEDLO Cc1ccccc1CCNC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367058474 512318422 /nfs/dbraw/zinc/31/84/22/512318422.db2.gz UHCXYYHEBGVPKQ-UHFFFAOYSA-N 1 2 362.477 2.606 20 30 FFEDLO COc1ccc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000017068489 507113590 /nfs/dbraw/zinc/11/35/90/507113590.db2.gz GUPUQHUAQQMHRN-UHFFFAOYSA-N 1 2 364.449 2.594 20 30 FFEDLO CCOC(=O)c1ccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046519012 507147471 /nfs/dbraw/zinc/14/74/71/507147471.db2.gz PTGMGNFECQHFKR-UHFFFAOYSA-N 1 2 351.406 2.805 20 30 FFEDLO CCOC(=O)c1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046519012 507147478 /nfs/dbraw/zinc/14/74/78/507147478.db2.gz PTGMGNFECQHFKR-UHFFFAOYSA-N 1 2 351.406 2.805 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000057844691 507339000 /nfs/dbraw/zinc/33/90/00/507339000.db2.gz UODNCDHCLCRKEH-GFCCVEGCSA-N 1 2 365.359 2.776 20 30 FFEDLO C[C@@H](NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000023257765 507342459 /nfs/dbraw/zinc/34/24/59/507342459.db2.gz SPNXOTNOGMPGNP-MRXNPFEDSA-N 1 2 368.506 2.615 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)COc3cccc(Cl)c3)CC2)cc1 ZINC000060391527 507537751 /nfs/dbraw/zinc/53/77/51/507537751.db2.gz BACGSMASOVROSW-UHFFFAOYSA-N 1 2 369.852 2.935 20 30 FFEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000026207771 507568790 /nfs/dbraw/zinc/56/87/90/507568790.db2.gz VVMMHQUEGBCRAQ-UHFFFAOYSA-N 1 2 365.433 2.852 20 30 FFEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000026207771 507568798 /nfs/dbraw/zinc/56/87/98/507568798.db2.gz VVMMHQUEGBCRAQ-UHFFFAOYSA-N 1 2 365.433 2.852 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000026229972 507570333 /nfs/dbraw/zinc/57/03/33/507570333.db2.gz WFRWIAIIBDPOHE-UHFFFAOYSA-N 1 2 373.460 2.576 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000029669915 507786609 /nfs/dbraw/zinc/78/66/09/507786609.db2.gz GEXFXRJACDFPQF-INIZCTEOSA-N 1 2 360.417 2.887 20 30 FFEDLO CC[N@@H+](CC(=O)N(C)Cc1ccccc1Br)C[C@H](C)C#N ZINC000064248835 507787615 /nfs/dbraw/zinc/78/76/15/507787615.db2.gz UXDRAWUBIXVWRZ-CYBMUJFWSA-N 1 2 352.276 2.889 20 30 FFEDLO CC[N@H+](CC(=O)N(C)Cc1ccccc1Br)C[C@H](C)C#N ZINC000064248835 507787619 /nfs/dbraw/zinc/78/76/19/507787619.db2.gz UXDRAWUBIXVWRZ-CYBMUJFWSA-N 1 2 352.276 2.889 20 30 FFEDLO CC(C)N(C(=O)[C@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1)C(C)C ZINC000029858529 507793895 /nfs/dbraw/zinc/79/38/95/507793895.db2.gz HGNQZLYGXSJOHJ-INIZCTEOSA-N 1 2 360.477 2.853 20 30 FFEDLO C#Cc1cccc(NC(=O)CNc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000052473237 507810439 /nfs/dbraw/zinc/81/04/39/507810439.db2.gz MNUJXXIDAFGIIH-UHFFFAOYSA-N 1 2 368.400 2.847 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000107074060 507834257 /nfs/dbraw/zinc/83/42/57/507834257.db2.gz BPEPWJOKNLBSLX-AEFFLSMTSA-N 1 2 360.479 2.685 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000107074060 507834259 /nfs/dbraw/zinc/83/42/59/507834259.db2.gz BPEPWJOKNLBSLX-AEFFLSMTSA-N 1 2 360.479 2.685 20 30 FFEDLO CCN(C(=O)[C@@H](C)[NH+]1CCN(c2ncccc2C#N)CC1)C1CCCCC1 ZINC000078256004 507851397 /nfs/dbraw/zinc/85/13/97/507851397.db2.gz KYWCNTRRYWUZQT-QGZVFWFLSA-N 1 2 369.513 2.645 20 30 FFEDLO COC(=O)c1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2C#N)oc1C ZINC000073105313 507894002 /nfs/dbraw/zinc/89/40/02/507894002.db2.gz HLIFWBXMQMWGAW-GFCCVEGCSA-N 1 2 355.394 2.705 20 30 FFEDLO COC(=O)c1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2C#N)oc1C ZINC000073105313 507894005 /nfs/dbraw/zinc/89/40/05/507894005.db2.gz HLIFWBXMQMWGAW-GFCCVEGCSA-N 1 2 355.394 2.705 20 30 FFEDLO CS(=O)(=O)c1ccccc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000073109736 507894825 /nfs/dbraw/zinc/89/48/25/507894825.db2.gz UEIBFLMZBYRFFX-UHFFFAOYSA-N 1 2 369.490 2.674 20 30 FFEDLO CS(=O)(=O)c1ccccc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000073109736 507894828 /nfs/dbraw/zinc/89/48/28/507894828.db2.gz UEIBFLMZBYRFFX-UHFFFAOYSA-N 1 2 369.490 2.674 20 30 FFEDLO Cc1nn(-c2ccccc2)c(CN2CC[NH+](Cc3ccco3)CC2)c1C#N ZINC000091066119 507948685 /nfs/dbraw/zinc/94/86/85/507948685.db2.gz UTMOMTJDAWUFBV-UHFFFAOYSA-N 1 2 361.449 2.963 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c1C#N ZINC000091068350 507949389 /nfs/dbraw/zinc/94/93/89/507949389.db2.gz QWBCFJMQIGSJHB-MRXNPFEDSA-N 1 2 351.454 2.530 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](CCC(N)=O)C2)c1C#N ZINC000091068350 507949391 /nfs/dbraw/zinc/94/93/91/507949391.db2.gz QWBCFJMQIGSJHB-MRXNPFEDSA-N 1 2 351.454 2.530 20 30 FFEDLO Cc1cccn2cc(-c3ccc(NC(=O)C(=O)NC[C@H](C)C#N)cc3)[nH+]c12 ZINC000091267522 507977908 /nfs/dbraw/zinc/97/79/08/507977908.db2.gz XWWKIAINHYLBHA-CYBMUJFWSA-N 1 2 361.405 2.524 20 30 FFEDLO C=CCCC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000091508166 507990623 /nfs/dbraw/zinc/99/06/23/507990623.db2.gz WOTCMQOPXQYKRG-INIZCTEOSA-N 1 2 364.511 2.940 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NCCC[N@H+](C)Cc2ccccc2)cc1C#N ZINC000074344985 508014047 /nfs/dbraw/zinc/01/40/47/508014047.db2.gz QCTIDDFZHYEWSY-UHFFFAOYSA-N 1 2 370.478 2.633 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1C#N ZINC000074344985 508014049 /nfs/dbraw/zinc/01/40/49/508014049.db2.gz QCTIDDFZHYEWSY-UHFFFAOYSA-N 1 2 370.478 2.633 20 30 FFEDLO C=CC[N@@H+](Cc1cc(Cl)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361239 508063981 /nfs/dbraw/zinc/06/39/81/508063981.db2.gz MZVKNQWLMWJBBT-CYBMUJFWSA-N 1 2 359.875 2.532 20 30 FFEDLO C=CC[N@H+](Cc1cc(Cl)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361239 508063983 /nfs/dbraw/zinc/06/39/83/508063983.db2.gz MZVKNQWLMWJBBT-CYBMUJFWSA-N 1 2 359.875 2.532 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000075299047 508095325 /nfs/dbraw/zinc/09/53/25/508095325.db2.gz RQHIDAWDVJTQRX-SJLPKXTDSA-N 1 2 358.405 2.574 20 30 FFEDLO N#CCCn1cc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c(-c2ccccc2)n1 ZINC000092703019 508095743 /nfs/dbraw/zinc/09/57/43/508095743.db2.gz MTWFGBSQFMDPOP-MOPGFXCFSA-N 1 2 363.465 2.707 20 30 FFEDLO N#CCCn1cc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c(-c2ccccc2)n1 ZINC000092703019 508095744 /nfs/dbraw/zinc/09/57/44/508095744.db2.gz MTWFGBSQFMDPOP-MOPGFXCFSA-N 1 2 363.465 2.707 20 30 FFEDLO C=CCc1ccc(OCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(OC)c1 ZINC000075557439 508117349 /nfs/dbraw/zinc/11/73/49/508117349.db2.gz AFMOTDOQDCFYQS-INIZCTEOSA-N 1 2 355.438 2.932 20 30 FFEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000075863229 508139233 /nfs/dbraw/zinc/13/92/33/508139233.db2.gz QSLFTHQMTLAPAS-YWZLYKJASA-N 1 2 374.916 2.827 20 30 FFEDLO COc1cc(OC)cc(N2CC[C@H]([N@H+](C)Cc3cc(C#N)cs3)C2=O)c1 ZINC000093840877 508157270 /nfs/dbraw/zinc/15/72/70/508157270.db2.gz PYUDZYQFQFOUQV-SFHVURJKSA-N 1 2 371.462 2.874 20 30 FFEDLO COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)Cc3cc(C#N)cs3)C2=O)c1 ZINC000093840877 508157272 /nfs/dbraw/zinc/15/72/72/508157272.db2.gz PYUDZYQFQFOUQV-SFHVURJKSA-N 1 2 371.462 2.874 20 30 FFEDLO Cn1cc[nH+]c1C[C@H](NC(=O)CNc1ccc(C#N)cc1)c1ccccc1 ZINC000081316895 508161179 /nfs/dbraw/zinc/16/11/79/508161179.db2.gz MVNHVEJKVWWFKA-IBGZPJMESA-N 1 2 359.433 2.804 20 30 FFEDLO Cc1ccccc1CS(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000076670984 508240357 /nfs/dbraw/zinc/24/03/57/508240357.db2.gz GBYFWWVREDXFPM-UHFFFAOYSA-N 1 2 369.490 2.514 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000083243496 508242400 /nfs/dbraw/zinc/24/24/00/508242400.db2.gz FTPZZAGZRPRDJX-PMACEKPBSA-N 1 2 372.465 2.822 20 30 FFEDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000103474367 508314125 /nfs/dbraw/zinc/31/41/25/508314125.db2.gz SFMGJQIWTILGFP-QGZVFWFLSA-N 1 2 353.470 2.886 20 30 FFEDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000103474367 508314127 /nfs/dbraw/zinc/31/41/27/508314127.db2.gz SFMGJQIWTILGFP-QGZVFWFLSA-N 1 2 353.470 2.886 20 30 FFEDLO CCCNC(=O)C1([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)CCCCC1 ZINC000085863816 508318917 /nfs/dbraw/zinc/31/89/17/508318917.db2.gz NZLNYWAMASAICZ-UHFFFAOYSA-N 1 2 367.453 2.927 20 30 FFEDLO Cc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1Br ZINC000156421137 508418691 /nfs/dbraw/zinc/41/86/91/508418691.db2.gz DEATZDYZUJSLFV-UHFFFAOYSA-N 1 2 366.303 2.805 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](CCO)Cc1cccnc1 ZINC000152339915 508427201 /nfs/dbraw/zinc/42/72/01/508427201.db2.gz ZTBVYTDQPOPPSN-UHFFFAOYSA-N 1 2 357.479 2.793 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+](CCO)Cc1cccnc1 ZINC000152339915 508427204 /nfs/dbraw/zinc/42/72/04/508427204.db2.gz ZTBVYTDQPOPPSN-UHFFFAOYSA-N 1 2 357.479 2.793 20 30 FFEDLO Cc1cc(C)n2c(C[NH+]3CCN([C@@H](C#N)c4ccccc4)CC3)cnc2n1 ZINC000156484482 508427422 /nfs/dbraw/zinc/42/74/22/508427422.db2.gz YDOOAFQPBVHIGY-FQEVSTJZSA-N 1 2 360.465 2.729 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCOc1ccc(OC)cc1 ZINC000152630220 508482625 /nfs/dbraw/zinc/48/26/25/508482625.db2.gz RPRQJTQHPUWIAO-LJQANCHMSA-N 1 2 354.406 2.792 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1ccc(OC)cc1 ZINC000152630220 508482630 /nfs/dbraw/zinc/48/26/30/508482630.db2.gz RPRQJTQHPUWIAO-LJQANCHMSA-N 1 2 354.406 2.792 20 30 FFEDLO Cc1cccc([C@@H](C/N=C/c2ccc(O)c(O)c2O)[NH+]2CCOCC2)c1 ZINC000122564413 508554514 /nfs/dbraw/zinc/55/45/14/508554514.db2.gz UXJBXFZSGIMSNG-KKJJZKEWSA-N 1 2 356.422 2.604 20 30 FFEDLO Cc1nc(N2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)sc1C ZINC000157451197 508567770 /nfs/dbraw/zinc/56/77/70/508567770.db2.gz YKIWDGYDIGIPPV-AWEZNQCLSA-N 1 2 369.494 2.781 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)Cc2[nH+]ccn2C)c1 ZINC000153370111 508576963 /nfs/dbraw/zinc/57/69/63/508576963.db2.gz LBEBQVMCHQAEPS-QGZVFWFLSA-N 1 2 353.470 2.804 20 30 FFEDLO OCC[N@H+](CC#Cc1ccc(F)cc1)Cc1cnn(Cc2ccccc2)c1 ZINC000153550892 508595520 /nfs/dbraw/zinc/59/55/20/508595520.db2.gz PVIMNTGMWREPIH-UHFFFAOYSA-N 1 2 363.436 2.917 20 30 FFEDLO OCC[N@@H+](CC#Cc1ccc(F)cc1)Cc1cnn(Cc2ccccc2)c1 ZINC000153550892 508595523 /nfs/dbraw/zinc/59/55/23/508595523.db2.gz PVIMNTGMWREPIH-UHFFFAOYSA-N 1 2 363.436 2.917 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000122921400 508607142 /nfs/dbraw/zinc/60/71/42/508607142.db2.gz DJQBCUYSTVYODI-UHFFFAOYSA-N 1 2 350.451 2.727 20 30 FFEDLO COc1ccc(C[NH2+][C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc1C#N ZINC000157919746 508632349 /nfs/dbraw/zinc/63/23/49/508632349.db2.gz SENJKMMNALXXRF-CQSZACIVSA-N 1 2 367.413 2.612 20 30 FFEDLO C=CCNc1ncc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)s1 ZINC000136058516 508667117 /nfs/dbraw/zinc/66/71/17/508667117.db2.gz ASDNRCHDRLGPHC-UHFFFAOYSA-N 1 2 364.515 2.506 20 30 FFEDLO CN(CCC#N)c1ccc(CNc2ccc[nH+]c2N2CCOCC2)cc1 ZINC000158190805 508669487 /nfs/dbraw/zinc/66/94/87/508669487.db2.gz YUCMYPPBUXKZJP-UHFFFAOYSA-N 1 2 351.454 2.880 20 30 FFEDLO N#Cc1ccc2[nH+]cc(CNc3cc(-c4cccs4)nn3CCO)n2c1 ZINC000123586234 508710897 /nfs/dbraw/zinc/71/08/97/508710897.db2.gz YZZQHRDVWGULBQ-UHFFFAOYSA-N 1 2 364.434 2.735 20 30 FFEDLO N#Cc1ccc(OC2C[NH+](C[C@H](O)COc3cccc4[nH]ccc43)C2)cc1 ZINC000158584096 508724430 /nfs/dbraw/zinc/72/44/30/508724430.db2.gz QTHCVXJTIMGIRO-INIZCTEOSA-N 1 2 363.417 2.542 20 30 FFEDLO N#CCCN(CCc1cccc(OC(F)(F)F)c1)CC[NH+]1CCOCC1 ZINC000154253669 508746535 /nfs/dbraw/zinc/74/65/35/508746535.db2.gz SVLHKSVBNUFAHW-UHFFFAOYSA-N 1 2 371.403 2.676 20 30 FFEDLO N#CCC[N@@H+](CCc1cccc(OC(F)(F)F)c1)CCN1CCOCC1 ZINC000154253669 508746538 /nfs/dbraw/zinc/74/65/38/508746538.db2.gz SVLHKSVBNUFAHW-UHFFFAOYSA-N 1 2 371.403 2.676 20 30 FFEDLO N#CCC[N@H+](CCc1cccc(OC(F)(F)F)c1)CCN1CCOCC1 ZINC000154253669 508746542 /nfs/dbraw/zinc/74/65/42/508746542.db2.gz SVLHKSVBNUFAHW-UHFFFAOYSA-N 1 2 371.403 2.676 20 30 FFEDLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NCC#Cc2ccccc2)c1 ZINC000145800927 508847229 /nfs/dbraw/zinc/84/72/29/508847229.db2.gz AQHJDEOSRWCZGK-UHFFFAOYSA-N 1 2 372.428 2.693 20 30 FFEDLO COc1cc(CN(CCC#N)CC[NH+]2CCOCC2)ccc1OC(C)C ZINC000154749520 508848460 /nfs/dbraw/zinc/84/84/60/508848460.db2.gz KDJUKCWSXZWHTM-UHFFFAOYSA-N 1 2 361.486 2.530 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(C#N)c(Cl)c3)c[nH+]2)CCO1 ZINC000154917080 508882750 /nfs/dbraw/zinc/88/27/50/508882750.db2.gz XPHQYXWRAJVSGH-CYBMUJFWSA-N 1 2 370.840 2.762 20 30 FFEDLO COC(=O)c1cccc(C#Cc2cccc(NC(=O)NCc3[nH]cc[nH+]3)c2)c1 ZINC000119992654 508906039 /nfs/dbraw/zinc/90/60/39/508906039.db2.gz YPVHHAXRLACINA-UHFFFAOYSA-N 1 2 374.400 2.918 20 30 FFEDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000159981339 508919880 /nfs/dbraw/zinc/91/98/80/508919880.db2.gz ZOXPIAJJALRKKR-OAHLLOKOSA-N 1 2 365.474 2.526 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000120062423 508919881 /nfs/dbraw/zinc/91/98/81/508919881.db2.gz FRUWUMVNXOILLJ-HZPDHXFCSA-N 1 2 352.438 2.540 20 30 FFEDLO C[C@H](Cc1cccc(Cl)c1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000125481536 508989262 /nfs/dbraw/zinc/98/92/62/508989262.db2.gz WORHQSPVKOFYMA-MRXNPFEDSA-N 1 2 363.889 2.593 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000132288018 509010863 /nfs/dbraw/zinc/01/08/63/509010863.db2.gz GIBSGOCOGXZLPB-MRXNPFEDSA-N 1 2 352.438 2.857 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000132288018 509010864 /nfs/dbraw/zinc/01/08/64/509010864.db2.gz GIBSGOCOGXZLPB-MRXNPFEDSA-N 1 2 352.438 2.857 20 30 FFEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000125704861 509018877 /nfs/dbraw/zinc/01/88/77/509018877.db2.gz MUIORCFPRGQDHK-UHFFFAOYSA-N 1 2 369.324 2.560 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000160688910 509020281 /nfs/dbraw/zinc/02/02/81/509020281.db2.gz XNOFWVGCJVMBSO-BXWFABGCSA-N 1 2 373.497 2.675 20 30 FFEDLO COc1ccc(Cl)cc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000155591424 509033727 /nfs/dbraw/zinc/03/37/27/509033727.db2.gz DYMDQCUWEOHTRF-CYBMUJFWSA-N 1 2 357.845 2.721 20 30 FFEDLO COc1ccc(Cl)cc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000155591424 509033730 /nfs/dbraw/zinc/03/37/30/509033730.db2.gz DYMDQCUWEOHTRF-CYBMUJFWSA-N 1 2 357.845 2.721 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCOc1ccccc1Cl ZINC000155627052 509040302 /nfs/dbraw/zinc/04/03/02/509040302.db2.gz MOBQWJQJZNQJSW-CQSZACIVSA-N 1 2 357.845 2.591 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCOc1ccccc1Cl ZINC000155627052 509040305 /nfs/dbraw/zinc/04/03/05/509040305.db2.gz MOBQWJQJZNQJSW-CQSZACIVSA-N 1 2 357.845 2.591 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCOc1ccccc1Cl ZINC000155627156 509040372 /nfs/dbraw/zinc/04/03/72/509040372.db2.gz MOBQWJQJZNQJSW-AWEZNQCLSA-N 1 2 357.845 2.591 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCOc1ccccc1Cl ZINC000155627156 509040374 /nfs/dbraw/zinc/04/03/74/509040374.db2.gz MOBQWJQJZNQJSW-AWEZNQCLSA-N 1 2 357.845 2.591 20 30 FFEDLO COc1cc(C#N)ccc1C[NH+]1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000120758811 509059334 /nfs/dbraw/zinc/05/93/34/509059334.db2.gz CRNSNRULRBPJND-UHFFFAOYSA-N 1 2 363.461 2.762 20 30 FFEDLO C[C@@H](C1CC1)N(C(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1)C1CC1 ZINC000121384038 509170908 /nfs/dbraw/zinc/17/09/08/509170908.db2.gz PRICAINORQFDOL-UWJYYQICSA-N 1 2 366.509 2.658 20 30 FFEDLO Cn1c[nH+]cc1CCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000121555036 509178347 /nfs/dbraw/zinc/17/83/47/509178347.db2.gz VPRVYTKOUVYRJD-UHFFFAOYSA-N 1 2 360.417 2.843 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@H+](C)CC(=O)N(C)C)cc1OC ZINC000162494406 509237753 /nfs/dbraw/zinc/23/77/53/509237753.db2.gz WWXLMVRCHZKBGQ-UHFFFAOYSA-N 1 2 371.275 2.543 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@@H+](C)CC(=O)N(C)C)cc1OC ZINC000162494406 509237761 /nfs/dbraw/zinc/23/77/61/509237761.db2.gz WWXLMVRCHZKBGQ-UHFFFAOYSA-N 1 2 371.275 2.543 20 30 FFEDLO N#Cc1ccc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1Cl ZINC000162619963 509265971 /nfs/dbraw/zinc/26/59/71/509265971.db2.gz ZCASIBLOUUBNLT-UHFFFAOYSA-N 1 2 355.829 2.956 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)[C@H](C(CC)CC)[NH+]2CCOCC2)cc1 ZINC000173162230 509428933 /nfs/dbraw/zinc/42/89/33/509428933.db2.gz YYAMJIAYSOQCEI-IBGZPJMESA-N 1 2 373.497 2.678 20 30 FFEDLO C[C@@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000264472032 509547035 /nfs/dbraw/zinc/54/70/35/509547035.db2.gz NVDLTWMYVQZJGZ-TXEJJXNPSA-N 1 2 354.370 2.614 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccnc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249113287 509607593 /nfs/dbraw/zinc/60/75/93/509607593.db2.gz RLQPANXHMTZPCA-DLBZAZTESA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)c2ccnc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249113287 509607602 /nfs/dbraw/zinc/60/76/02/509607602.db2.gz RLQPANXHMTZPCA-DLBZAZTESA-N 1 2 358.804 2.921 20 30 FFEDLO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1nc(C2CC2)no1 ZINC000179801118 509626289 /nfs/dbraw/zinc/62/62/89/509626289.db2.gz UWNPZOGNPJEMPX-MRXNPFEDSA-N 1 2 374.466 2.579 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000249223205 509639214 /nfs/dbraw/zinc/63/92/14/509639214.db2.gz FXYRAAYNRKXPML-OCCSQVGLSA-N 1 2 358.467 2.834 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000249223205 509639216 /nfs/dbraw/zinc/63/92/16/509639216.db2.gz FXYRAAYNRKXPML-OCCSQVGLSA-N 1 2 358.467 2.834 20 30 FFEDLO N#Cc1ccc(OC2CCC(NC(=O)c3ccc4[nH+]ccn4c3)CC2)nc1 ZINC000179846961 509646225 /nfs/dbraw/zinc/64/62/25/509646225.db2.gz WYOVXNOCQCDTNG-UHFFFAOYSA-N 1 2 361.405 2.721 20 30 FFEDLO C=CCOc1ccccc1C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000193036992 509747903 /nfs/dbraw/zinc/74/79/03/509747903.db2.gz UVUVIYWERSYYAN-UHFFFAOYSA-N 1 2 355.438 2.814 20 30 FFEDLO C[C@@H]1C[N@H+](CCOCC(F)(F)C(F)(F)F)CCN1CC(F)(F)F ZINC000189790105 509754216 /nfs/dbraw/zinc/75/42/16/509754216.db2.gz MBYYNPAYRINCOO-SECBINFHSA-N 1 2 358.273 2.769 20 30 FFEDLO C[C@@H]1C[N@@H+](CCOCC(F)(F)C(F)(F)F)CCN1CC(F)(F)F ZINC000189790105 509754221 /nfs/dbraw/zinc/75/42/21/509754221.db2.gz MBYYNPAYRINCOO-SECBINFHSA-N 1 2 358.273 2.769 20 30 FFEDLO COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)Cc3ccc(C#N)s3)C2=O)c1 ZINC000180162641 509788267 /nfs/dbraw/zinc/78/82/67/509788267.db2.gz HTEBKBKCYYAFNA-GOSISDBHSA-N 1 2 371.462 2.874 20 30 FFEDLO COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)Cc3ccc(C#N)s3)C2=O)c1 ZINC000180162641 509788272 /nfs/dbraw/zinc/78/82/72/509788272.db2.gz HTEBKBKCYYAFNA-GOSISDBHSA-N 1 2 371.462 2.874 20 30 FFEDLO C=CCN(CCOC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000250309611 509795467 /nfs/dbraw/zinc/79/54/67/509795467.db2.gz KYNQGBLUNXJZHA-IAGOWNOFSA-N 1 2 353.413 2.554 20 30 FFEDLO C=CCN(CCOC)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000250309611 509795473 /nfs/dbraw/zinc/79/54/73/509795473.db2.gz KYNQGBLUNXJZHA-IAGOWNOFSA-N 1 2 353.413 2.554 20 30 FFEDLO COc1cc(OC)cc([C@H](NC(=O)NCCCCC#N)c2[nH+]ccn2C)c1 ZINC000170886838 509832334 /nfs/dbraw/zinc/83/23/34/509832334.db2.gz CMXVDFJAPKBKMA-KRWDZBQOSA-N 1 2 371.441 2.520 20 30 FFEDLO C=CCn1c2nnc(SCCCn3cc[nH+]c3)n2c2ccccc2c1=O ZINC000180425893 509920221 /nfs/dbraw/zinc/92/02/21/509920221.db2.gz IPKFXZVNAYDOLF-UHFFFAOYSA-N 1 2 366.450 2.609 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000265242591 509942408 /nfs/dbraw/zinc/94/24/08/509942408.db2.gz OZQCBCYJFVQKEM-UHFFFAOYSA-N 1 2 365.359 2.899 20 30 FFEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000186935422 509960474 /nfs/dbraw/zinc/96/04/74/509960474.db2.gz ONVAEJXXGYDOHW-UHFFFAOYSA-N 1 2 367.424 2.705 20 30 FFEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000186948931 509967960 /nfs/dbraw/zinc/96/79/60/509967960.db2.gz BEZMTGARKYIMGF-UHFFFAOYSA-N 1 2 367.424 2.705 20 30 FFEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000186954004 509971717 /nfs/dbraw/zinc/97/17/17/509971717.db2.gz AIEQVVNWAIDTSX-HNNXBMFYSA-N 1 2 374.916 2.777 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1C#N ZINC000193615668 509993015 /nfs/dbraw/zinc/99/30/15/509993015.db2.gz MNUZMEPYFNHVBY-GOSISDBHSA-N 1 2 357.454 2.927 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1C#N ZINC000193615668 509993020 /nfs/dbraw/zinc/99/30/20/509993020.db2.gz MNUZMEPYFNHVBY-GOSISDBHSA-N 1 2 357.454 2.927 20 30 FFEDLO COc1cc(C(N)=[NH+]OCc2ccn(C(C)C)n2)cc(Cl)c1OC ZINC000265365610 510015384 /nfs/dbraw/zinc/01/53/84/510015384.db2.gz YOUZREODYNLSEF-UHFFFAOYSA-N 1 2 352.822 2.972 20 30 FFEDLO C=CC[C@]1(C(=O)NCCCn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000190313010 510057039 /nfs/dbraw/zinc/05/70/39/510057039.db2.gz DQCANNJLXGXVKJ-LJQANCHMSA-N 1 2 362.474 2.735 20 30 FFEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CCN1CC(F)F ZINC000245789406 510146118 /nfs/dbraw/zinc/14/61/18/510146118.db2.gz WXEQKEGNISERMC-CZUORRHYSA-N 1 2 350.413 2.547 20 30 FFEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CCN1CC(F)F ZINC000245789406 510146123 /nfs/dbraw/zinc/14/61/23/510146123.db2.gz WXEQKEGNISERMC-CZUORRHYSA-N 1 2 350.413 2.547 20 30 FFEDLO C=CCCCN(C)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000265659991 510162727 /nfs/dbraw/zinc/16/27/27/510162727.db2.gz ZJGPPDQSXDMQBH-UHFFFAOYSA-N 1 2 361.486 2.505 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(-n2nc(C)cc2C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000171748532 510345139 /nfs/dbraw/zinc/34/51/39/510345139.db2.gz OXZUMUWTXBAZPO-IBGZPJMESA-N 1 2 359.495 2.664 20 30 FFEDLO C=CC[N@H+](Cc1ccc(-n2nc(C)cc2C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000171748532 510345140 /nfs/dbraw/zinc/34/51/40/510345140.db2.gz OXZUMUWTXBAZPO-IBGZPJMESA-N 1 2 359.495 2.664 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000171748522 510345696 /nfs/dbraw/zinc/34/56/96/510345696.db2.gz KEXGHTLDBPDNCJ-AWEZNQCLSA-N 1 2 363.401 2.803 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000171748522 510345703 /nfs/dbraw/zinc/34/57/03/510345703.db2.gz KEXGHTLDBPDNCJ-AWEZNQCLSA-N 1 2 363.401 2.803 20 30 FFEDLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000174973599 510412979 /nfs/dbraw/zinc/41/29/79/510412979.db2.gz JSLSGQBLEDRGDD-LBPRGKRZSA-N 1 2 371.384 2.905 20 30 FFEDLO C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000174973599 510412985 /nfs/dbraw/zinc/41/29/85/510412985.db2.gz JSLSGQBLEDRGDD-LBPRGKRZSA-N 1 2 371.384 2.905 20 30 FFEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000184666118 510450195 /nfs/dbraw/zinc/45/01/95/510450195.db2.gz UMBRLCYYDYLHHP-HNNXBMFYSA-N 1 2 372.494 2.781 20 30 FFEDLO C=CCNc1ncc(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)s1 ZINC000269533334 510451836 /nfs/dbraw/zinc/45/18/36/510451836.db2.gz NVWAAXQIUKHXFL-UHFFFAOYSA-N 1 2 359.377 2.772 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCO[C@@H](Cc4ccccc4)C3)C2=O)cc1 ZINC000181533864 510458973 /nfs/dbraw/zinc/45/89/73/510458973.db2.gz ZJSZOUVLGLSXSL-LEWJYISDSA-N 1 2 361.445 2.607 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCO[C@@H](Cc4ccccc4)C3)C2=O)cc1 ZINC000181533864 510458978 /nfs/dbraw/zinc/45/89/78/510458978.db2.gz ZJSZOUVLGLSXSL-LEWJYISDSA-N 1 2 361.445 2.607 20 30 FFEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCC(=O)Nc1ccccc1OC(F)F ZINC000266202150 510459485 /nfs/dbraw/zinc/45/94/85/510459485.db2.gz LSKWGUJMOLLYEG-LLVKDONJSA-N 1 2 359.373 2.576 20 30 FFEDLO CCN(CC)C(=O)[C@@H](C)O[NH+]=C(N)c1cccc(OCc2cccnc2)c1 ZINC000178155841 510461187 /nfs/dbraw/zinc/46/11/87/510461187.db2.gz IPTYDBIESZFMIS-OAHLLOKOSA-N 1 2 370.453 2.554 20 30 FFEDLO C[C@]1(c2ccccc2)C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000246564749 510558578 /nfs/dbraw/zinc/55/85/78/510558578.db2.gz RLMYYIORHIYTLA-RBBKRZOGSA-N 1 2 361.445 2.911 20 30 FFEDLO C[C@]1(c2ccccc2)C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000246564749 510558581 /nfs/dbraw/zinc/55/85/81/510558581.db2.gz RLMYYIORHIYTLA-RBBKRZOGSA-N 1 2 361.445 2.911 20 30 FFEDLO N#Cc1ccccc1CSCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000195046617 510645262 /nfs/dbraw/zinc/64/52/62/510645262.db2.gz WVFNIFRDCYSIOH-IBGZPJMESA-N 1 2 373.522 2.551 20 30 FFEDLO N#Cc1ccccc1CSCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000195046617 510645268 /nfs/dbraw/zinc/64/52/68/510645268.db2.gz WVFNIFRDCYSIOH-IBGZPJMESA-N 1 2 373.522 2.551 20 30 FFEDLO CCO[C@H](C)c1noc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000172319274 510665722 /nfs/dbraw/zinc/66/57/22/510665722.db2.gz ATXFBEMQYQSNIS-OAHLLOKOSA-N 1 2 355.442 2.751 20 30 FFEDLO CCO[C@H](C)c1noc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000172319274 510665729 /nfs/dbraw/zinc/66/57/29/510665729.db2.gz ATXFBEMQYQSNIS-OAHLLOKOSA-N 1 2 355.442 2.751 20 30 FFEDLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000185113262 510692467 /nfs/dbraw/zinc/69/24/67/510692467.db2.gz XBZGNNNEEOPWMY-OIRASMEMSA-N 1 2 367.540 2.526 20 30 FFEDLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000185113262 510692473 /nfs/dbraw/zinc/69/24/73/510692473.db2.gz XBZGNNNEEOPWMY-OIRASMEMSA-N 1 2 367.540 2.526 20 30 FFEDLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000185113250 510693316 /nfs/dbraw/zinc/69/33/16/510693316.db2.gz XBZGNNNEEOPWMY-FNODVLLQSA-N 1 2 367.540 2.526 20 30 FFEDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000185113250 510693320 /nfs/dbraw/zinc/69/33/20/510693320.db2.gz XBZGNNNEEOPWMY-FNODVLLQSA-N 1 2 367.540 2.526 20 30 FFEDLO COC[C@@H](Cc1ccccc1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000191507074 510694657 /nfs/dbraw/zinc/69/46/57/510694657.db2.gz SXBQXSUAXDDQBZ-LJQANCHMSA-N 1 2 372.490 2.521 20 30 FFEDLO COC[C@@H](Cc1ccccc1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000191507074 510694665 /nfs/dbraw/zinc/69/46/65/510694665.db2.gz SXBQXSUAXDDQBZ-LJQANCHMSA-N 1 2 372.490 2.521 20 30 FFEDLO CCS(=O)(=O)C1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000195165280 510695334 /nfs/dbraw/zinc/69/53/34/510695334.db2.gz UPBOYOWSOAKGKI-UHFFFAOYSA-N 1 2 350.484 2.768 20 30 FFEDLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000178833699 510796302 /nfs/dbraw/zinc/79/63/02/510796302.db2.gz UZBKMHSDWREQGT-ZDUSSCGKSA-N 1 2 363.845 2.814 20 30 FFEDLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000178833699 510796306 /nfs/dbraw/zinc/79/63/06/510796306.db2.gz UZBKMHSDWREQGT-ZDUSSCGKSA-N 1 2 363.845 2.814 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000178858013 510807290 /nfs/dbraw/zinc/80/72/90/510807290.db2.gz FFZILSDOKSFCIU-KRWDZBQOSA-N 1 2 365.495 2.817 20 30 FFEDLO C=CC[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000178858013 510807295 /nfs/dbraw/zinc/80/72/95/510807295.db2.gz FFZILSDOKSFCIU-KRWDZBQOSA-N 1 2 365.495 2.817 20 30 FFEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H]2CC=CCC2)on1 ZINC000329910200 510876079 /nfs/dbraw/zinc/87/60/79/510876079.db2.gz NAQFVSOQTGBXSW-XHSDSOJGSA-N 1 2 350.438 2.850 20 30 FFEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H]2CC=CCC2)on1 ZINC000329910200 510876083 /nfs/dbraw/zinc/87/60/83/510876083.db2.gz NAQFVSOQTGBXSW-XHSDSOJGSA-N 1 2 350.438 2.850 20 30 FFEDLO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329919477 510877586 /nfs/dbraw/zinc/87/75/86/510877586.db2.gz DIAFJCJASFDGBP-ZRGWGRIASA-N 1 2 350.434 2.593 20 30 FFEDLO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329919477 510877592 /nfs/dbraw/zinc/87/75/92/510877592.db2.gz DIAFJCJASFDGBP-ZRGWGRIASA-N 1 2 350.434 2.593 20 30 FFEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)C[C@H]21 ZINC000329948921 510884621 /nfs/dbraw/zinc/88/46/21/510884621.db2.gz ZMVYNARGOXSSKI-DGCLKSJQSA-N 1 2 361.776 2.502 20 30 FFEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)C[C@H]21 ZINC000329948921 510884627 /nfs/dbraw/zinc/88/46/27/510884627.db2.gz ZMVYNARGOXSSKI-DGCLKSJQSA-N 1 2 361.776 2.502 20 30 FFEDLO Cn1cc(N2CC[NH+](CC(=O)N[C@@H]3CCCc4ccccc43)CC2)cn1 ZINC000329962985 510888743 /nfs/dbraw/zinc/88/87/43/510888743.db2.gz TUEFMXKDZOQNOZ-LJQANCHMSA-N 1 2 353.470 2.576 20 30 FFEDLO C[C@@H](NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C1CCOCC1 ZINC000329988531 510895054 /nfs/dbraw/zinc/89/50/54/510895054.db2.gz UIXFBXVMKMTXBE-KBMXLJTQSA-N 1 2 369.506 2.979 20 30 FFEDLO C[C@@H](NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C1CCOCC1 ZINC000329988531 510895061 /nfs/dbraw/zinc/89/50/61/510895061.db2.gz UIXFBXVMKMTXBE-KBMXLJTQSA-N 1 2 369.506 2.979 20 30 FFEDLO CCN1CCN(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000330000392 510897013 /nfs/dbraw/zinc/89/70/13/510897013.db2.gz WIJRDNKNJJFBJN-YESZJQIVSA-N 1 2 363.506 2.598 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000330071555 510911640 /nfs/dbraw/zinc/91/16/40/510911640.db2.gz IZYFLMBCCUYTLG-VCBZYWHSSA-N 1 2 367.490 2.706 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000330071555 510911643 /nfs/dbraw/zinc/91/16/43/510911643.db2.gz IZYFLMBCCUYTLG-VCBZYWHSSA-N 1 2 367.490 2.706 20 30 FFEDLO CO/N=C(/C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccco1 ZINC000282293557 510917885 /nfs/dbraw/zinc/91/78/85/510917885.db2.gz LPMUXCDSWQMAMM-LQFHHUIYSA-N 1 2 356.426 2.569 20 30 FFEDLO CC1(C)C[N@H+](CCNC(=O)NC[C@@H]2SCCc3ccccc32)CCO1 ZINC000330201279 510936062 /nfs/dbraw/zinc/93/60/62/510936062.db2.gz XNURBBWGBKLFRP-KRWDZBQOSA-N 1 2 363.527 2.631 20 30 FFEDLO CC1(C)C[N@@H+](CCNC(=O)NC[C@@H]2SCCc3ccccc32)CCO1 ZINC000330201279 510936065 /nfs/dbraw/zinc/93/60/65/510936065.db2.gz XNURBBWGBKLFRP-KRWDZBQOSA-N 1 2 363.527 2.631 20 30 FFEDLO Cn1cc(-c2ncc(C(=O)N[C@@H]3CCO[C@@H](c4c[nH+]cn4C)C3)s2)cn1 ZINC000330322795 510963430 /nfs/dbraw/zinc/96/34/30/510963430.db2.gz HEBXEVJEMBNPSG-TZMCWYRMSA-N 1 2 372.454 2.502 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Cc2ccc3c(c2)OCCO3)CCO1 ZINC000330324157 510963548 /nfs/dbraw/zinc/96/35/48/510963548.db2.gz IFHHILYQQGYLNZ-PBHICJAKSA-N 1 2 357.410 2.611 20 30 FFEDLO CC[C@H](C)n1nc(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc1C ZINC000330331820 510966067 /nfs/dbraw/zinc/96/60/67/510966067.db2.gz OJLLTUCFJFIKLT-JGGQBBKZSA-N 1 2 360.462 2.564 20 30 FFEDLO CN(C)c1[nH+]cccc1CNC(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000330494898 510987318 /nfs/dbraw/zinc/98/73/18/510987318.db2.gz TZFOXNUOOCYMRR-UHFFFAOYSA-N 1 2 362.474 2.615 20 30 FFEDLO C=C(C)[C@H]([NH2+]Cc1nnnn1CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000278573874 510999005 /nfs/dbraw/zinc/99/90/05/510999005.db2.gz CDNAWEPUNYBIHE-SFHVURJKSA-N 1 2 363.412 2.785 20 30 FFEDLO CC(C)Nc1nc(N[C@H](CCC#N)c2ccccc2)nc(NCCO)[nH+]1 ZINC000286179454 511020004 /nfs/dbraw/zinc/02/00/04/511020004.db2.gz KUYNMNSYDNSRMJ-OAHLLOKOSA-N 1 2 355.446 2.553 20 30 FFEDLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@H](CCC#N)c2ccccc2)n1 ZINC000286179454 511020007 /nfs/dbraw/zinc/02/00/07/511020007.db2.gz KUYNMNSYDNSRMJ-OAHLLOKOSA-N 1 2 355.446 2.553 20 30 FFEDLO CC(C)Nc1nc(NCCO)nc(N[C@H](CCC#N)c2ccccc2)[nH+]1 ZINC000286179454 511020010 /nfs/dbraw/zinc/02/00/10/511020010.db2.gz KUYNMNSYDNSRMJ-OAHLLOKOSA-N 1 2 355.446 2.553 20 30 FFEDLO COc1ccccc1O[C@@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000286334128 511023314 /nfs/dbraw/zinc/02/33/14/511023314.db2.gz GCLZMJYEGNSWOO-UZLBHIALSA-N 1 2 359.470 2.593 20 30 FFEDLO COc1ccccc1O[C@@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000286334128 511023320 /nfs/dbraw/zinc/02/33/20/511023320.db2.gz GCLZMJYEGNSWOO-UZLBHIALSA-N 1 2 359.470 2.593 20 30 FFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000330847598 511023736 /nfs/dbraw/zinc/02/37/36/511023736.db2.gz PGXIPTIIVCYUDG-QPUJVOFHSA-N 1 2 358.186 2.948 20 30 FFEDLO Cc1nc(C(=O)NCC[N@@H+]2CCOCC2(C)C)c(Br)s1 ZINC000331309919 511059748 /nfs/dbraw/zinc/05/97/48/511059748.db2.gz BPHOLEDTKSKKPZ-UHFFFAOYSA-N 1 2 362.293 2.629 20 30 FFEDLO Cc1nc(C(=O)NCC[N@H+]2CCOCC2(C)C)c(Br)s1 ZINC000331309919 511059752 /nfs/dbraw/zinc/05/97/52/511059752.db2.gz BPHOLEDTKSKKPZ-UHFFFAOYSA-N 1 2 362.293 2.629 20 30 FFEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000297773520 511064425 /nfs/dbraw/zinc/06/44/25/511064425.db2.gz GGIFLTVUQCPGMO-CHWSQXEVSA-N 1 2 369.918 2.502 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000297773520 511064427 /nfs/dbraw/zinc/06/44/27/511064427.db2.gz GGIFLTVUQCPGMO-CHWSQXEVSA-N 1 2 369.918 2.502 20 30 FFEDLO Cc1cc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)nn1CCC#N ZINC000271146501 511096287 /nfs/dbraw/zinc/09/62/87/511096287.db2.gz RTCZNHUUUOCXKH-UHFFFAOYSA-N 1 2 368.466 2.933 20 30 FFEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000282893126 511151747 /nfs/dbraw/zinc/15/17/47/511151747.db2.gz WISQCRPGUIMLII-UHFFFAOYSA-N 1 2 367.902 2.602 20 30 FFEDLO C[C@@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)c1ccc(OCC#N)cc1 ZINC000291132326 511160435 /nfs/dbraw/zinc/16/04/35/511160435.db2.gz FBKNRKLFCSKXIU-MRXNPFEDSA-N 1 2 364.449 2.694 20 30 FFEDLO C[C@@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)c1ccc(OCC#N)cc1 ZINC000291132326 511160442 /nfs/dbraw/zinc/16/04/42/511160442.db2.gz FBKNRKLFCSKXIU-MRXNPFEDSA-N 1 2 364.449 2.694 20 30 FFEDLO CC(C)[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271320233 511161280 /nfs/dbraw/zinc/16/12/80/511161280.db2.gz AQRFJNHEYAFZFV-PMACEKPBSA-N 1 2 370.497 2.589 20 30 FFEDLO N#Cc1ccc(/C=C/C(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000298094890 511172534 /nfs/dbraw/zinc/17/25/34/511172534.db2.gz RQTCUXIXKPUFIG-DVBCCOPCSA-N 1 2 367.474 2.823 20 30 FFEDLO CC(C)[C@@H]1C[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CCO1 ZINC000271357440 511176165 /nfs/dbraw/zinc/17/61/65/511176165.db2.gz XLSUJBZVOLAGPK-KDOFPFPSSA-N 1 2 368.481 2.850 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280317711 511418709 /nfs/dbraw/zinc/41/87/09/511418709.db2.gz GNSWKQMNOKHSCP-TXPKVOOTSA-N 1 2 364.511 2.531 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280317711 511418714 /nfs/dbraw/zinc/41/87/14/511418714.db2.gz GNSWKQMNOKHSCP-TXPKVOOTSA-N 1 2 364.511 2.531 20 30 FFEDLO C=C(C)Cn1c(C2CC2)nnc1N1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000283604281 511431491 /nfs/dbraw/zinc/43/14/91/511431491.db2.gz MKUMMAYDZXQENV-UHFFFAOYSA-N 1 2 356.474 2.659 20 30 FFEDLO C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000283729524 511478586 /nfs/dbraw/zinc/47/85/86/511478586.db2.gz YOPOFIPBERLGHD-OAHLLOKOSA-N 1 2 358.490 2.986 20 30 FFEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000272332558 511490598 /nfs/dbraw/zinc/49/05/98/511490598.db2.gz WSWPPJYUHJVZLF-UHFFFAOYSA-N 1 2 355.438 2.651 20 30 FFEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000272332558 511490602 /nfs/dbraw/zinc/49/06/02/511490602.db2.gz WSWPPJYUHJVZLF-UHFFFAOYSA-N 1 2 355.438 2.651 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC(C)(C#N)CC1)c1ccccc1F ZINC000272552286 511498047 /nfs/dbraw/zinc/49/80/47/511498047.db2.gz FKQMCGYGQCXGEU-INIZCTEOSA-N 1 2 355.417 2.984 20 30 FFEDLO Cc1cc(NC(=O)C[NH+]2CCC(C)(C#N)CC2)n(-c2ccc(F)cc2)n1 ZINC000272539710 511498910 /nfs/dbraw/zinc/49/89/10/511498910.db2.gz JLGSZDQMOCQQOR-UHFFFAOYSA-N 1 2 355.417 2.884 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC(C)(C#N)CC1)c1ccc(F)cc1 ZINC000272693656 511503575 /nfs/dbraw/zinc/50/35/75/511503575.db2.gz WMNYHNBHUXQYRG-INIZCTEOSA-N 1 2 355.417 2.984 20 30 FFEDLO C=CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000295977522 511574728 /nfs/dbraw/zinc/57/47/28/511574728.db2.gz ONAXCRJIAVBKOC-QGZVFWFLSA-N 1 2 357.458 2.621 20 30 FFEDLO C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000295977518 511574943 /nfs/dbraw/zinc/57/49/43/511574943.db2.gz ONAXCRJIAVBKOC-KRWDZBQOSA-N 1 2 357.458 2.621 20 30 FFEDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000280717879 511575735 /nfs/dbraw/zinc/57/57/35/511575735.db2.gz LVDQZZUIJYBANC-MRXNPFEDSA-N 1 2 366.513 2.532 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]c(C(F)(F)F)c3)CC2)cc1 ZINC000292398423 511583118 /nfs/dbraw/zinc/58/31/18/511583118.db2.gz XWSQGMOXUOHSHA-UHFFFAOYSA-N 1 2 362.355 2.863 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281043458 511699586 /nfs/dbraw/zinc/69/95/86/511699586.db2.gz XJBSUJFDSFAXRB-UTKZUKDTSA-N 1 2 373.460 2.541 20 30 FFEDLO C=CCN1CC[C@H](Sc2[nH+]cnc3c2cnn3Cc2ccccc2)C1=O ZINC000281069907 511709033 /nfs/dbraw/zinc/70/90/33/511709033.db2.gz VJRDGENIJUDMCL-INIZCTEOSA-N 1 2 365.462 2.754 20 30 FFEDLO NC(=[NH+]OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCCO1 ZINC000284399324 511709231 /nfs/dbraw/zinc/70/92/31/511709231.db2.gz MYSYZBXRECLIEM-NSHDSACASA-N 1 2 365.739 2.765 20 30 FFEDLO CC(C)(C)c1n[nH]cc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000292779639 511716430 /nfs/dbraw/zinc/71/64/30/511716430.db2.gz YJDZFLWFMGNVNS-UHFFFAOYSA-N 1 2 351.454 2.537 20 30 FFEDLO CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000303086977 511726443 /nfs/dbraw/zinc/72/64/43/511726443.db2.gz BTQLOWGXAHWSHY-MRXNPFEDSA-N 1 2 360.477 2.712 20 30 FFEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccccc3-c3ccccc3C#N)C[C@H]21 ZINC000284573965 511777425 /nfs/dbraw/zinc/77/74/25/511777425.db2.gz RHZJIMCLRHKKSC-NHCUHLMSSA-N 1 2 361.445 2.770 20 30 FFEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccccc3-c3ccccc3C#N)C[C@H]21 ZINC000284573965 511777427 /nfs/dbraw/zinc/77/74/27/511777427.db2.gz RHZJIMCLRHKKSC-NHCUHLMSSA-N 1 2 361.445 2.770 20 30 FFEDLO O=C(C[N@@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1)NC[C@H]1CCCO1 ZINC000328602155 511890567 /nfs/dbraw/zinc/89/05/67/511890567.db2.gz GPDALXPMSXMXPZ-NWDGAFQWSA-N 1 2 360.380 2.743 20 30 FFEDLO CCn1nc(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)c(=O)c2ccccc21 ZINC000328651869 511907629 /nfs/dbraw/zinc/90/76/29/511907629.db2.gz KBGNZXHXEGEVSR-CQSZACIVSA-N 1 2 365.437 2.804 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1O[C@H](C)C[C@H]1C ZINC000328651135 511907692 /nfs/dbraw/zinc/90/76/92/511907692.db2.gz JPJJYULQNXJOGS-OPSUJVMJSA-N 1 2 353.438 2.974 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1O[C@H](C)C[C@H]1C ZINC000328651135 511907695 /nfs/dbraw/zinc/90/76/95/511907695.db2.gz JPJJYULQNXJOGS-OPSUJVMJSA-N 1 2 353.438 2.974 20 30 FFEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328703956 511917424 /nfs/dbraw/zinc/91/74/24/511917424.db2.gz OLUZLGLTUQXMOW-OIISXLGYSA-N 1 2 366.469 2.728 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000281675462 511928992 /nfs/dbraw/zinc/92/89/92/511928992.db2.gz OHGGAIVVRFVLDY-OAHLLOKOSA-N 1 2 362.430 2.830 20 30 FFEDLO Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000328829312 511937536 /nfs/dbraw/zinc/93/75/36/511937536.db2.gz UCNUJGDKXRHCQD-BPLDGKMQSA-N 1 2 367.515 2.759 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000281719443 511943293 /nfs/dbraw/zinc/94/32/93/511943293.db2.gz JGRKNEKBVONENT-PKOBYXMFSA-N 1 2 358.486 2.852 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)N[C@@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000328920424 511950465 /nfs/dbraw/zinc/95/04/65/511950465.db2.gz BATLNSMEOPEOOB-ZACQAIPSSA-N 1 2 372.469 2.548 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)N[C@@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000328920424 511950470 /nfs/dbraw/zinc/95/04/70/511950470.db2.gz BATLNSMEOPEOOB-ZACQAIPSSA-N 1 2 372.469 2.548 20 30 FFEDLO O=C(NC1CCN(C(=O)c2ccccc2)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328956334 511955429 /nfs/dbraw/zinc/95/54/29/511955429.db2.gz ZGODQFOMLFCFEV-INIZCTEOSA-N 1 2 352.438 2.707 20 30 FFEDLO O=C(C[N@@H+]1CCOCC12CCCC2)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000328956768 511956041 /nfs/dbraw/zinc/95/60/41/511956041.db2.gz ZIERWXLTDUSGAR-UHFFFAOYSA-N 1 2 361.398 2.562 20 30 FFEDLO O=C(C[N@H+]1CCOCC12CCCC2)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000328956768 511956047 /nfs/dbraw/zinc/95/60/47/511956047.db2.gz ZIERWXLTDUSGAR-UHFFFAOYSA-N 1 2 361.398 2.562 20 30 FFEDLO CC[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)O1 ZINC000328989309 511962564 /nfs/dbraw/zinc/96/25/64/511962564.db2.gz CQCZLHRRCCRGRY-GZOSKZMVSA-N 1 2 360.458 2.529 20 30 FFEDLO CNC(=O)Cc1nc(C[N@@H+]2CCN(C(C)=O)C3(CCCCC3)C2)cs1 ZINC000329038244 511971910 /nfs/dbraw/zinc/97/19/10/511971910.db2.gz NLJZECTYEOROKS-UHFFFAOYSA-N 1 2 364.515 2.639 20 30 FFEDLO CNC(=O)Cc1nc(C[N@H+]2CCN(C(C)=O)C3(CCCCC3)C2)cs1 ZINC000329038244 511971916 /nfs/dbraw/zinc/97/19/16/511971916.db2.gz NLJZECTYEOROKS-UHFFFAOYSA-N 1 2 364.515 2.639 20 30 FFEDLO CCN1CCOC[C@@H]1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000329057425 511974166 /nfs/dbraw/zinc/97/41/66/511974166.db2.gz MOIYKPKHARECIQ-DZGCQCFKSA-N 1 2 352.504 2.684 20 30 FFEDLO CCN1CCOC[C@@H]1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000329057425 511974173 /nfs/dbraw/zinc/97/41/73/511974173.db2.gz MOIYKPKHARECIQ-DZGCQCFKSA-N 1 2 352.504 2.684 20 30 FFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000329120284 511986915 /nfs/dbraw/zinc/98/69/15/511986915.db2.gz PSARCCPANZTJLH-QFBILLFUSA-N 1 2 356.426 2.560 20 30 FFEDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000329136070 511990946 /nfs/dbraw/zinc/99/09/46/511990946.db2.gz CORJHBKAUBZXOX-BBATYDOGSA-N 1 2 354.435 2.853 20 30 FFEDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000329136070 511990949 /nfs/dbraw/zinc/99/09/49/511990949.db2.gz CORJHBKAUBZXOX-BBATYDOGSA-N 1 2 354.435 2.853 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@]2(C)CCCOC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000329135730 511991557 /nfs/dbraw/zinc/99/15/57/511991557.db2.gz CIWOKXASMPGYLQ-XYJFISCASA-N 1 2 353.413 2.783 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)N[C@]2(C)CCCOC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000329135730 511991558 /nfs/dbraw/zinc/99/15/58/511991558.db2.gz CIWOKXASMPGYLQ-XYJFISCASA-N 1 2 353.413 2.783 20 30 FFEDLO C[C@@H]1C(=O)CC[C@H]1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000366402027 512002372 /nfs/dbraw/zinc/00/23/72/512002372.db2.gz SVIYPBZKXZFBBC-WMZOPIPTSA-N 1 2 353.466 2.666 20 30 FFEDLO O=C(Nc1cc(F)c(F)cc1N1CCOCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329214835 512006785 /nfs/dbraw/zinc/00/67/85/512006785.db2.gz LTQYXPYAQMCWEH-GFCCVEGCSA-N 1 2 362.380 2.849 20 30 FFEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000329261537 512016263 /nfs/dbraw/zinc/01/62/63/512016263.db2.gz DYIWYUNIWLHZSF-GJZGRUSLSA-N 1 2 371.489 2.819 20 30 FFEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000329261537 512016269 /nfs/dbraw/zinc/01/62/69/512016269.db2.gz DYIWYUNIWLHZSF-GJZGRUSLSA-N 1 2 371.489 2.819 20 30 FFEDLO CO[C@@H]1[C@H](C)[C@@H](NC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)C1(C)C ZINC000329266208 512017030 /nfs/dbraw/zinc/01/70/30/512017030.db2.gz HJRQRURXGCMXAP-DAXOMENPSA-N 1 2 366.531 2.543 20 30 FFEDLO C=CCC[C@H](C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000275035178 512022643 /nfs/dbraw/zinc/02/26/43/512022643.db2.gz QHZYXIVFRBFHCX-FQEVSTJZSA-N 1 2 368.481 2.904 20 30 FFEDLO O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N1CCn2cc[nH+]c2C1 ZINC000329324507 512027774 /nfs/dbraw/zinc/02/77/74/512027774.db2.gz SLGZWJPFNIYJCF-GDBMZVCRSA-N 1 2 364.808 2.935 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H](C)C1 ZINC000282038664 512055492 /nfs/dbraw/zinc/05/54/92/512055492.db2.gz BJAMLMHPVOEUDQ-HNNXBMFYSA-N 1 2 352.438 2.632 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H](C)C1 ZINC000282038664 512055499 /nfs/dbraw/zinc/05/54/99/512055499.db2.gz BJAMLMHPVOEUDQ-HNNXBMFYSA-N 1 2 352.438 2.632 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](C)C1 ZINC000282038666 512055735 /nfs/dbraw/zinc/05/57/35/512055735.db2.gz BJAMLMHPVOEUDQ-OAHLLOKOSA-N 1 2 352.438 2.632 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](C)C1 ZINC000282038666 512055742 /nfs/dbraw/zinc/05/57/42/512055742.db2.gz BJAMLMHPVOEUDQ-OAHLLOKOSA-N 1 2 352.438 2.632 20 30 FFEDLO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000329503887 512059301 /nfs/dbraw/zinc/05/93/01/512059301.db2.gz WLTCWJAMKAYFAJ-FUHWJXTLSA-N 1 2 365.518 2.625 20 30 FFEDLO O=C(Nc1cccc(OCC(F)F)n1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329506057 512059866 /nfs/dbraw/zinc/05/98/66/512059866.db2.gz WTPZOQSHHHPQIQ-ZDUSSCGKSA-N 1 2 355.385 2.957 20 30 FFEDLO O=C(Nc1cccc(OCC(F)F)n1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329506057 512059871 /nfs/dbraw/zinc/05/98/71/512059871.db2.gz WTPZOQSHHHPQIQ-ZDUSSCGKSA-N 1 2 355.385 2.957 20 30 FFEDLO Cc1cnn([C@@H]2CCN(C([O-])=[NH+][C@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)C2)c1 ZINC000329546799 512067325 /nfs/dbraw/zinc/06/73/25/512067325.db2.gz HFSMGZUSQBARNS-JKSUJKDBSA-N 1 2 370.501 2.861 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1nc2c(s1)CCCC2(C)C ZINC000329542509 512068045 /nfs/dbraw/zinc/06/80/45/512068045.db2.gz XUUSVBLLEMEIQK-GFCCVEGCSA-N 1 2 352.504 2.804 20 30 FFEDLO O=C(CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCCC1 ZINC000329598969 512075694 /nfs/dbraw/zinc/07/56/94/512075694.db2.gz DGIHYPXDGHZXCZ-UHFFFAOYSA-N 1 2 367.453 2.835 20 30 FFEDLO O=C(NC[C@H]1COCCO1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000329640186 512080863 /nfs/dbraw/zinc/08/08/63/512080863.db2.gz XADSMFBKJBXEEF-KRWDZBQOSA-N 1 2 356.426 2.628 20 30 FFEDLO C[C@@H](NC(=O)c1cccc2c1OCCO2)C1([NH+]2CCOCC2)CCCC1 ZINC000329668496 512084765 /nfs/dbraw/zinc/08/47/65/512084765.db2.gz RABVMAFXXOLYDI-OAHLLOKOSA-N 1 2 360.454 2.796 20 30 FFEDLO CC(C)[C@@H]1C[C@H](CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCO1 ZINC000329717047 512089977 /nfs/dbraw/zinc/08/99/77/512089977.db2.gz XEKAPXVDJCQNKD-AOIWGVFYSA-N 1 2 370.559 2.992 20 30 FFEDLO C[C@@H]1CCC[C@H](CNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000329806324 512099171 /nfs/dbraw/zinc/09/91/71/512099171.db2.gz AZZMZWIZMSGWRC-CVEARBPZSA-N 1 2 373.501 2.621 20 30 FFEDLO C[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@H](CO)O1 ZINC000329822938 512101943 /nfs/dbraw/zinc/10/19/43/512101943.db2.gz QDXVVOIFYVRNIR-RDTXWAMCSA-N 1 2 370.453 2.514 20 30 FFEDLO O=C(Nc1cccn(CC(F)(F)F)c1=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329845483 512103610 /nfs/dbraw/zinc/10/36/10/512103610.db2.gz XYEPIQZJNUAPGZ-UHFFFAOYSA-N 1 2 369.347 2.559 20 30 FFEDLO O=C(Nc1cccn(CC(F)(F)F)c1=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329845483 512103613 /nfs/dbraw/zinc/10/36/13/512103613.db2.gz XYEPIQZJNUAPGZ-UHFFFAOYSA-N 1 2 369.347 2.559 20 30 FFEDLO C#Cc1cccc(NC(=O)[C@@H]2CCC(=O)N(CCC)[C@H]2c2c[nH+]cn2C)c1 ZINC000375680972 512451943 /nfs/dbraw/zinc/45/19/43/512451943.db2.gz WWCOYJOLWYAKKT-YLJYHZDGSA-N 1 2 364.449 2.730 20 30 FFEDLO CN(CC(F)(F)F)C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000375753286 512487221 /nfs/dbraw/zinc/48/72/21/512487221.db2.gz JCOASJRFZUDBLT-UHFFFAOYSA-N 1 2 373.350 2.561 20 30 FFEDLO C#CC[C@H](NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)c1ccccc1 ZINC000378275638 512671269 /nfs/dbraw/zinc/67/12/69/512671269.db2.gz WDAOPICVTZADQU-IBGZPJMESA-N 1 2 372.428 2.906 20 30 FFEDLO C[C@H](C(=O)NCCc1cccs1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374290643 512749111 /nfs/dbraw/zinc/74/91/11/512749111.db2.gz FIVNYAGZOMIDTQ-MRXNPFEDSA-N 1 2 368.506 2.748 20 30 FFEDLO N#CC1(c2ccccn2)CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000374460590 512842677 /nfs/dbraw/zinc/84/26/77/512842677.db2.gz VBFQUBOPJCHIGS-UHFFFAOYSA-N 1 2 357.417 2.965 20 30 FFEDLO Cc1c[nH+]ccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000376577780 512883037 /nfs/dbraw/zinc/88/30/37/512883037.db2.gz DZTSZXVYZYJXNL-UHFFFAOYSA-N 1 2 354.385 2.898 20 30 FFEDLO N#C[C@H](C1CCCCC1)n1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000368396178 512929165 /nfs/dbraw/zinc/92/91/65/512929165.db2.gz ACAFGADQDUSHAR-MOPGFXCFSA-N 1 2 366.469 2.892 20 30 FFEDLO N#C[C@H](C1CCCCC1)n1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000368396178 512929172 /nfs/dbraw/zinc/92/91/72/512929172.db2.gz ACAFGADQDUSHAR-MOPGFXCFSA-N 1 2 366.469 2.892 20 30 FFEDLO COC(=O)[C@@]1(C)CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000412086174 512953353 /nfs/dbraw/zinc/95/33/53/512953353.db2.gz ZYHABDKEVWPORY-SFHVURJKSA-N 1 2 361.467 2.516 20 30 FFEDLO COC(=O)[C@@]1(C)CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000412086174 512953358 /nfs/dbraw/zinc/95/33/58/512953358.db2.gz ZYHABDKEVWPORY-SFHVURJKSA-N 1 2 361.467 2.516 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000408089896 512997366 /nfs/dbraw/zinc/99/73/66/512997366.db2.gz KNKXSANVDAMQAO-DVOMOZLQSA-N 1 2 361.511 2.918 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000408089896 512997371 /nfs/dbraw/zinc/99/73/71/512997371.db2.gz KNKXSANVDAMQAO-DVOMOZLQSA-N 1 2 361.511 2.918 20 30 FFEDLO N#Cc1cc(S(=O)(=O)N2CCc3c[nH+]ccc32)ccc1C(F)(F)F ZINC000409487765 513112654 /nfs/dbraw/zinc/11/26/54/513112654.db2.gz WFYXFHICYLZACD-UHFFFAOYSA-N 1 2 353.325 2.723 20 30 FFEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000450318937 513140264 /nfs/dbraw/zinc/14/02/64/513140264.db2.gz KUZNPGNLUUPQTD-MSOLQXFVSA-N 1 2 372.856 2.650 20 30 FFEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000450318937 513140270 /nfs/dbraw/zinc/14/02/70/513140270.db2.gz KUZNPGNLUUPQTD-MSOLQXFVSA-N 1 2 372.856 2.650 20 30 FFEDLO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(C#N)cc1OC(F)F ZINC000439560143 513141137 /nfs/dbraw/zinc/14/11/37/513141137.db2.gz HTEMEWOKLQEHKH-LBPRGKRZSA-N 1 2 372.375 2.772 20 30 FFEDLO C[C@H]1CCc2onc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2C1 ZINC000433828809 513161416 /nfs/dbraw/zinc/16/14/16/513161416.db2.gz AWKQBLWHCUHTHV-HNNXBMFYSA-N 1 2 364.449 2.629 20 30 FFEDLO Cc1cc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc(C)[nH+]1 ZINC000421252991 513178609 /nfs/dbraw/zinc/17/86/09/513178609.db2.gz VVPGWFVHCVVKEF-UHFFFAOYSA-N 1 2 350.422 2.755 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3csc(-c4ncccn4)n3)C2)nc1 ZINC000428771024 513185578 /nfs/dbraw/zinc/18/55/78/513185578.db2.gz GWSXXSHLQUWNCB-OAHLLOKOSA-N 1 2 364.434 2.520 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3csc(-c4ncccn4)n3)C2)nc1 ZINC000428771024 513185581 /nfs/dbraw/zinc/18/55/81/513185581.db2.gz GWSXXSHLQUWNCB-OAHLLOKOSA-N 1 2 364.434 2.520 20 30 FFEDLO CCCC(O)(CCC)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000440109005 513248291 /nfs/dbraw/zinc/24/82/91/513248291.db2.gz RPCDEEUZNFEVDJ-UHFFFAOYSA-N 1 2 357.498 2.924 20 30 FFEDLO COc1ccc(OC)c(C[NH+]2CCN(c3cc(C)ncc3C#N)CC2)c1 ZINC000425196832 513446888 /nfs/dbraw/zinc/44/68/88/513446888.db2.gz AELQCEZTVZEUIU-UHFFFAOYSA-N 1 2 352.438 2.601 20 30 FFEDLO Cc1cc(N2CCN(C(=O)Cc3ccccc3Cl)CC2)c(C#N)c[nH+]1 ZINC000425213225 513455623 /nfs/dbraw/zinc/45/56/23/513455623.db2.gz GOEIQLBDNCRPCO-UHFFFAOYSA-N 1 2 354.841 2.806 20 30 FFEDLO Cc1cc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c(C#N)c[nH+]1 ZINC000425211580 513455894 /nfs/dbraw/zinc/45/58/94/513455894.db2.gz XVNJFPRCIFZPHO-UHFFFAOYSA-N 1 2 354.841 2.806 20 30 FFEDLO Cc1cc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)c(C#N)c[nH+]1 ZINC000425235164 513466654 /nfs/dbraw/zinc/46/66/54/513466654.db2.gz OUOUZGREDHYIMT-UHFFFAOYSA-N 1 2 352.413 2.682 20 30 FFEDLO CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425237396 513468032 /nfs/dbraw/zinc/46/80/32/513468032.db2.gz RZNABVBEOFFMOK-ZDUSSCGKSA-N 1 2 354.376 2.889 20 30 FFEDLO Cc1ccccc1[C@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000441459347 513574574 /nfs/dbraw/zinc/57/45/74/513574574.db2.gz VXQLGZOIRGWNKP-DYESRHJHSA-N 1 2 363.461 2.945 20 30 FFEDLO Cc1ccccc1[C@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000441459347 513574578 /nfs/dbraw/zinc/57/45/78/513574578.db2.gz VXQLGZOIRGWNKP-DYESRHJHSA-N 1 2 363.461 2.945 20 30 FFEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H](C)O2 ZINC000447824490 513585041 /nfs/dbraw/zinc/58/50/41/513585041.db2.gz ARIBWNRHUHZGJE-SNUQEOBHSA-N 1 2 352.381 2.928 20 30 FFEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H](C)O2 ZINC000447824490 513585049 /nfs/dbraw/zinc/58/50/49/513585049.db2.gz ARIBWNRHUHZGJE-SNUQEOBHSA-N 1 2 352.381 2.928 20 30 FFEDLO CCOC(=O)C[N@H+](C1CCCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447854183 513601851 /nfs/dbraw/zinc/60/18/51/513601851.db2.gz KKDZRINVLDSNIP-IBGZPJMESA-N 1 2 369.465 2.861 20 30 FFEDLO CCOC(=O)C[N@@H+](C1CCCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447854183 513601856 /nfs/dbraw/zinc/60/18/56/513601856.db2.gz KKDZRINVLDSNIP-IBGZPJMESA-N 1 2 369.465 2.861 20 30 FFEDLO C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H]1C(=O)OC(C)(C)C ZINC000425519387 513617991 /nfs/dbraw/zinc/61/79/91/513617991.db2.gz GGYDZKIRKZAHQB-BEFAXECRSA-N 1 2 371.481 2.617 20 30 FFEDLO C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H]1C(=O)OC(C)(C)C ZINC000425519387 513617996 /nfs/dbraw/zinc/61/79/96/513617996.db2.gz GGYDZKIRKZAHQB-BEFAXECRSA-N 1 2 371.481 2.617 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430335865 513625569 /nfs/dbraw/zinc/62/55/69/513625569.db2.gz BRGLGADQHGVVNA-OAQYLSRUSA-N 1 2 365.481 2.576 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430335865 513625573 /nfs/dbraw/zinc/62/55/73/513625573.db2.gz BRGLGADQHGVVNA-OAQYLSRUSA-N 1 2 365.481 2.576 20 30 FFEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000435604010 513632778 /nfs/dbraw/zinc/63/27/78/513632778.db2.gz BHLZJBRYTYWNRU-VQIMIIECSA-N 1 2 361.442 2.820 20 30 FFEDLO C[C@@H](C#N)CN(C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)C1CC1 ZINC000441960914 513652715 /nfs/dbraw/zinc/65/27/15/513652715.db2.gz ZHQIPEUORBENTH-LBPRGKRZSA-N 1 2 365.437 2.540 20 30 FFEDLO Cc1cn2cc(NC(=O)C(=O)N(Cc3ccc(C#N)cc3)C3CC3)ccc2[nH+]1 ZINC000442451793 513722827 /nfs/dbraw/zinc/72/28/27/513722827.db2.gz WJOLPVSMNQLDOM-UHFFFAOYSA-N 1 2 373.416 2.644 20 30 FFEDLO C=CCCCNC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000448393297 513748999 /nfs/dbraw/zinc/74/89/99/513748999.db2.gz YPVWUIDLAJBODP-UHFFFAOYSA-N 1 2 361.877 2.781 20 30 FFEDLO N#CC1CCC(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000451450878 513758406 /nfs/dbraw/zinc/75/84/06/513758406.db2.gz ZVWMFCXTMWIGQE-UHFFFAOYSA-N 1 2 353.382 2.840 20 30 FFEDLO C=CCC1(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CCCCC1 ZINC000451488494 513783622 /nfs/dbraw/zinc/78/36/22/513783622.db2.gz IZEXEXWVECZERQ-UHFFFAOYSA-N 1 2 355.482 2.995 20 30 FFEDLO C=CCC1(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CCCCC1 ZINC000451488494 513783626 /nfs/dbraw/zinc/78/36/26/513783626.db2.gz IZEXEXWVECZERQ-UHFFFAOYSA-N 1 2 355.482 2.995 20 30 FFEDLO C=CCc1cc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)cc(OC)c1O ZINC000425989281 513817700 /nfs/dbraw/zinc/81/77/00/513817700.db2.gz JRKJMJAYGSPZSM-SFHVURJKSA-N 1 2 373.497 2.707 20 30 FFEDLO C=CCc1cc(C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)cc(OC)c1O ZINC000425989281 513817707 /nfs/dbraw/zinc/81/77/07/513817707.db2.gz JRKJMJAYGSPZSM-SFHVURJKSA-N 1 2 373.497 2.707 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000431137900 513835634 /nfs/dbraw/zinc/83/56/34/513835634.db2.gz KYUZMGCQMGFANJ-VXGBXAGGSA-N 1 2 355.280 2.703 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422547982 513841742 /nfs/dbraw/zinc/84/17/42/513841742.db2.gz YCZNTPLTMWRCCJ-LJQANCHMSA-N 1 2 351.450 2.618 20 30 FFEDLO CC(C)(CNC(=O)N[C@H](CCCC#N)c1ccccc1)[NH+]1CCOCC1 ZINC000431729153 513980846 /nfs/dbraw/zinc/98/08/46/513980846.db2.gz ZXTCGRQSRZGWCQ-GOSISDBHSA-N 1 2 358.486 2.832 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)OC1(CCCCC1)CC2=O ZINC000414152186 513991720 /nfs/dbraw/zinc/99/17/20/513991720.db2.gz WZZDKKBOEHLRHP-INIZCTEOSA-N 1 2 372.465 2.940 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)OC1(CCCCC1)CC2=O ZINC000414152186 513991724 /nfs/dbraw/zinc/99/17/24/513991724.db2.gz WZZDKKBOEHLRHP-INIZCTEOSA-N 1 2 372.465 2.940 20 30 FFEDLO N#Cc1ccc(NCC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000443558705 513993616 /nfs/dbraw/zinc/99/36/16/513993616.db2.gz MQOWJFYEQMBPOY-UHFFFAOYSA-N 1 2 368.868 2.798 20 30 FFEDLO N#Cc1ccc(NCC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000443558705 513993623 /nfs/dbraw/zinc/99/36/23/513993623.db2.gz MQOWJFYEQMBPOY-UHFFFAOYSA-N 1 2 368.868 2.798 20 30 FFEDLO C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000431982576 514057243 /nfs/dbraw/zinc/05/72/43/514057243.db2.gz BTHXPQILOLTYBB-LNLFQRSKSA-N 1 2 358.486 2.830 20 30 FFEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000451936260 514083002 /nfs/dbraw/zinc/08/30/02/514083002.db2.gz UDKIYSRBIYWITR-JTQLQIEISA-N 1 2 372.372 2.833 20 30 FFEDLO N#Cc1cccc(NCC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000427055787 514102385 /nfs/dbraw/zinc/10/23/85/514102385.db2.gz AFABBNSEDFWHGT-UHFFFAOYSA-N 1 2 368.868 2.968 20 30 FFEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)c2ccc(C#N)s2)CC1 ZINC000444336858 514197278 /nfs/dbraw/zinc/19/72/78/514197278.db2.gz AMEZOYQZWJPBSG-UHFFFAOYSA-N 1 2 368.462 2.536 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000437649942 514203283 /nfs/dbraw/zinc/20/32/83/514203283.db2.gz ZKOWNASUZMUYJD-FQEVSTJZSA-N 1 2 364.461 2.707 20 30 FFEDLO CC(C)(C#N)CCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000444593000 514267354 /nfs/dbraw/zinc/26/73/54/514267354.db2.gz JQCMMRBTQQVPMB-UHFFFAOYSA-N 1 2 367.490 2.852 20 30 FFEDLO Cc1cccc([C@@H](CNC(=O)c2cscc2C#N)[NH+]2CCOCC2)c1 ZINC000432719166 514267662 /nfs/dbraw/zinc/26/76/62/514267662.db2.gz QFMLHJWJUUJKBB-GOSISDBHSA-N 1 2 355.463 2.732 20 30 FFEDLO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000427704920 514289159 /nfs/dbraw/zinc/28/91/59/514289159.db2.gz GJMFTTFLFPSULZ-LPHOPBHVSA-N 1 2 371.481 2.585 20 30 FFEDLO COC(=O)c1cc([C@@H](C)[NH+]2CCN(c3cccc(C#N)n3)CC2)oc1C ZINC000432862007 514305629 /nfs/dbraw/zinc/30/56/29/514305629.db2.gz DAAZSAHCUJTSRI-CYBMUJFWSA-N 1 2 354.410 2.525 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000438104121 514308494 /nfs/dbraw/zinc/30/84/94/514308494.db2.gz WMDBPWRVWOVRHY-ZDUSSCGKSA-N 1 2 350.401 2.679 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000438104121 514308502 /nfs/dbraw/zinc/30/85/02/514308502.db2.gz WMDBPWRVWOVRHY-ZDUSSCGKSA-N 1 2 350.401 2.679 20 30 FFEDLO Cc1cc(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc(C)[nH+]1 ZINC000420846029 514333666 /nfs/dbraw/zinc/33/36/66/514333666.db2.gz IXBUUXWCSUZDMC-UHFFFAOYSA-N 1 2 367.428 2.741 20 30 FFEDLO C=CCOc1cc(OC)ccc1C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000433110553 514386447 /nfs/dbraw/zinc/38/64/47/514386447.db2.gz PPIHNMJEVDUFQZ-KRWDZBQOSA-N 1 2 370.453 2.502 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000433116617 514387237 /nfs/dbraw/zinc/38/72/37/514387237.db2.gz RXLYXJTUGJKSER-MRXNPFEDSA-N 1 2 370.453 2.502 20 30 FFEDLO C=CCn1cc(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3F)c2C)nn1 ZINC000424170094 514404513 /nfs/dbraw/zinc/40/45/13/514404513.db2.gz JBIVEWJUXYVQLC-UHFFFAOYSA-N 1 2 358.396 2.835 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)Nc2ccccc2CC[NH+](C)C)cc1C#N ZINC000438573091 514407168 /nfs/dbraw/zinc/40/71/68/514407168.db2.gz WJFQLELVCVHDKR-UHFFFAOYSA-N 1 2 356.451 2.737 20 30 FFEDLO COC(=O)c1cc([C@@H](C)[NH+]2CCN(c3snc(C)c3C#N)CC2)oc1C ZINC000433183877 514409622 /nfs/dbraw/zinc/40/96/22/514409622.db2.gz VTVDTSSFQCGTHE-GFCCVEGCSA-N 1 2 374.466 2.894 20 30 FFEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(C#N)n1C ZINC000449993219 514457088 /nfs/dbraw/zinc/45/70/88/514457088.db2.gz BKHHYXOFZZPTNB-UHFFFAOYSA-N 1 2 351.454 2.670 20 30 FFEDLO Cc1cc(C#N)nc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000439099981 514493259 /nfs/dbraw/zinc/49/32/59/514493259.db2.gz VNOXSHKADOFWAD-UHFFFAOYSA-N 1 2 361.371 2.998 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000439450306 514554265 /nfs/dbraw/zinc/55/42/65/514554265.db2.gz HRINYJKCSPBZEF-CYBMUJFWSA-N 1 2 352.829 2.584 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439450306 514554272 /nfs/dbraw/zinc/55/42/72/514554272.db2.gz HRINYJKCSPBZEF-CYBMUJFWSA-N 1 2 352.829 2.584 20 30 FFEDLO N#Cc1ccc(OCCNC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000466103935 514560348 /nfs/dbraw/zinc/56/03/48/514560348.db2.gz DRTDMQNZEMYILE-UHFFFAOYSA-N 1 2 370.478 2.526 20 30 FFEDLO C=CCc1cc(CNc2nc(N(C)C)nc(C(C)C)[nH+]2)cc(OC)c1OC ZINC000502380668 514632088 /nfs/dbraw/zinc/63/20/88/514632088.db2.gz MIADWCZKPUCFOZ-UHFFFAOYSA-N 1 2 371.485 2.841 20 30 FFEDLO C=CCc1cc(CNc2nc(C(C)C)[nH+]c(N(C)C)n2)cc(OC)c1OC ZINC000502380668 514632097 /nfs/dbraw/zinc/63/20/97/514632097.db2.gz MIADWCZKPUCFOZ-UHFFFAOYSA-N 1 2 371.485 2.841 20 30 FFEDLO C=CCOc1ccccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453579740 514699868 /nfs/dbraw/zinc/69/98/68/514699868.db2.gz SBCYZUUGCUBLLO-UHFFFAOYSA-N 1 2 354.410 2.877 20 30 FFEDLO CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471015371 514717101 /nfs/dbraw/zinc/71/71/01/514717101.db2.gz VUIZEARMIUNHHY-MAUKXSAKSA-N 1 2 362.905 2.778 20 30 FFEDLO C=CCCCS(=O)(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000489213853 514753290 /nfs/dbraw/zinc/75/32/90/514753290.db2.gz GEHGKKRQWZVPAZ-INIZCTEOSA-N 1 2 352.500 2.670 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(Oc2ccccn2)CC1 ZINC000471155242 514774946 /nfs/dbraw/zinc/77/49/46/514774946.db2.gz COLLHAXPHQIMLG-OAHLLOKOSA-N 1 2 350.422 2.824 20 30 FFEDLO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+](CCC#N)CCC(C)C ZINC000484912867 514841958 /nfs/dbraw/zinc/84/19/58/514841958.db2.gz RHECFCZQQGOVPV-SFHVURJKSA-N 1 2 373.497 2.937 20 30 FFEDLO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000484912867 514841966 /nfs/dbraw/zinc/84/19/66/514841966.db2.gz RHECFCZQQGOVPV-SFHVURJKSA-N 1 2 373.497 2.937 20 30 FFEDLO N#CCc1cccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000455946208 514855343 /nfs/dbraw/zinc/85/53/43/514855343.db2.gz MLIGCAVYXZMDGN-FQEVSTJZSA-N 1 2 364.449 2.948 20 30 FFEDLO C=C(C)CCNC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000455947987 514857648 /nfs/dbraw/zinc/85/76/48/514857648.db2.gz AFLBHHBAAMMGAQ-UHFFFAOYSA-N 1 2 369.263 2.768 20 30 FFEDLO C=CCc1cc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)cc(OC)c1O ZINC000503043274 514894853 /nfs/dbraw/zinc/89/48/53/514894853.db2.gz RCZGOLJVINYXHN-INIZCTEOSA-N 1 2 353.484 2.528 20 30 FFEDLO C=CCc1cc(C[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)cc(OC)c1O ZINC000503043274 514894861 /nfs/dbraw/zinc/89/48/61/514894861.db2.gz RCZGOLJVINYXHN-INIZCTEOSA-N 1 2 353.484 2.528 20 30 FFEDLO C=CCCCS(=O)(=O)N[C@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000489689203 514940440 /nfs/dbraw/zinc/94/04/40/514940440.db2.gz SSKPUMSQRCSQRC-RTBURBONSA-N 1 2 366.527 2.552 20 30 FFEDLO C=CCCCS(=O)(=O)N[C@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000489689203 514940450 /nfs/dbraw/zinc/94/04/50/514940450.db2.gz SSKPUMSQRCSQRC-RTBURBONSA-N 1 2 366.527 2.552 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)CC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000458616217 514957456 /nfs/dbraw/zinc/95/74/56/514957456.db2.gz LMGCUJAITBLRTB-HZPDHXFCSA-N 1 2 350.413 2.949 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)CC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000458616217 514957462 /nfs/dbraw/zinc/95/74/62/514957462.db2.gz LMGCUJAITBLRTB-HZPDHXFCSA-N 1 2 350.413 2.949 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503214902 514964206 /nfs/dbraw/zinc/96/42/06/514964206.db2.gz HRTWLTOZVZSLLM-ZWKOTPCHSA-N 1 2 359.514 2.951 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503214902 514964212 /nfs/dbraw/zinc/96/42/12/514964212.db2.gz HRTWLTOZVZSLLM-ZWKOTPCHSA-N 1 2 359.514 2.951 20 30 FFEDLO N#CCCC[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000458796624 515101968 /nfs/dbraw/zinc/10/19/68/515101968.db2.gz FAYIGSQIGRLJDL-UXHICEINSA-N 1 2 370.497 2.928 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000456355362 515122936 /nfs/dbraw/zinc/12/29/36/515122936.db2.gz OCVMSYUYUQXYIY-CQSZACIVSA-N 1 2 353.426 2.761 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000481232907 515255962 /nfs/dbraw/zinc/25/59/62/515255962.db2.gz SUTHHKPGJCHURV-KRWDZBQOSA-N 1 2 350.466 2.820 20 30 FFEDLO C=C(C)CCNC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000458993672 515256571 /nfs/dbraw/zinc/25/65/71/515256571.db2.gz FIDNUQHRTNYGMY-UHFFFAOYSA-N 1 2 361.877 2.781 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000499336490 515290036 /nfs/dbraw/zinc/29/00/36/515290036.db2.gz YEJCUJQZSQFLEB-MSOLQXFVSA-N 1 2 361.873 2.518 20 30 FFEDLO C=CCCc1ccccc1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000505023570 515433817 /nfs/dbraw/zinc/43/38/17/515433817.db2.gz NDVBBYACOIYJQD-UHFFFAOYSA-N 1 2 369.469 2.978 20 30 FFEDLO C=CCCc1ccccc1NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000505056120 515438107 /nfs/dbraw/zinc/43/81/07/515438107.db2.gz ABBRXTSDCMEYPI-UHFFFAOYSA-N 1 2 370.497 2.577 20 30 FFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000477459369 515465663 /nfs/dbraw/zinc/46/56/63/515465663.db2.gz JIEYPPSYSSZIRR-CVEARBPZSA-N 1 2 367.902 2.698 20 30 FFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000477459369 515465669 /nfs/dbraw/zinc/46/56/69/515465669.db2.gz JIEYPPSYSSZIRR-CVEARBPZSA-N 1 2 367.902 2.698 20 30 FFEDLO CC#CCN(C)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2CCCC)c1 ZINC000492093626 515500449 /nfs/dbraw/zinc/50/04/49/515500449.db2.gz HAAXJDYRUPMMHH-UHFFFAOYSA-N 1 2 352.438 2.770 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)C1=O ZINC000499945124 515527272 /nfs/dbraw/zinc/52/72/72/515527272.db2.gz KPNWYSTYVXITIH-VBQJREDUSA-N 1 2 363.889 2.624 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)C1=O ZINC000499945124 515527280 /nfs/dbraw/zinc/52/72/80/515527280.db2.gz KPNWYSTYVXITIH-VBQJREDUSA-N 1 2 363.889 2.624 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000454495399 515531704 /nfs/dbraw/zinc/53/17/04/515531704.db2.gz BHWIZIXTJZSPIK-JFIYKMOQSA-N 1 2 361.486 2.744 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CC[C@H](C)Sc3ccccc32)C1=O ZINC000499993563 515549461 /nfs/dbraw/zinc/54/94/61/515549461.db2.gz ANNVSTJUTKVZGW-RDJZCZTQSA-N 1 2 373.522 2.623 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CC[C@H](C)Sc3ccccc32)C1=O ZINC000499993563 515549469 /nfs/dbraw/zinc/54/94/69/515549469.db2.gz ANNVSTJUTKVZGW-RDJZCZTQSA-N 1 2 373.522 2.623 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)C1=O ZINC000499991043 515550269 /nfs/dbraw/zinc/55/02/69/515550269.db2.gz PYKHWSBHSZODQI-INIZCTEOSA-N 1 2 352.356 2.655 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)C1=O ZINC000499991043 515550278 /nfs/dbraw/zinc/55/02/78/515550278.db2.gz PYKHWSBHSZODQI-INIZCTEOSA-N 1 2 352.356 2.655 20 30 FFEDLO N#Cc1ccc(F)c(CS(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000463874140 515651090 /nfs/dbraw/zinc/65/10/90/515651090.db2.gz UUERGFCFAJFBDB-UHFFFAOYSA-N 1 2 370.409 2.707 20 30 FFEDLO C=CCOC[C@@H]([NH2+]C[C@@H](C)c1cccc(Br)c1)C(=O)OC ZINC000482434817 515674546 /nfs/dbraw/zinc/67/45/46/515674546.db2.gz HCLRLWWFTPCXTL-IUODEOHRSA-N 1 2 356.260 2.886 20 30 FFEDLO N#CCC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)Cc1ccco1 ZINC000478042449 515678117 /nfs/dbraw/zinc/67/81/17/515678117.db2.gz PLABTYXQWQBHLC-UHFFFAOYSA-N 1 2 374.828 2.776 20 30 FFEDLO N#CCC[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)Cc1ccco1 ZINC000478042449 515678125 /nfs/dbraw/zinc/67/81/25/515678125.db2.gz PLABTYXQWQBHLC-UHFFFAOYSA-N 1 2 374.828 2.776 20 30 FFEDLO CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000500469833 515726980 /nfs/dbraw/zinc/72/69/80/515726980.db2.gz QKJBZBXTUPEHKA-WFASDCNBSA-N 1 2 362.861 2.529 20 30 FFEDLO CCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000500469833 515726990 /nfs/dbraw/zinc/72/69/90/515726990.db2.gz QKJBZBXTUPEHKA-WFASDCNBSA-N 1 2 362.861 2.529 20 30 FFEDLO Cn1c2ccccc2c(Cl)c1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000478219198 515741442 /nfs/dbraw/zinc/74/14/42/515741442.db2.gz GUUWLEHUVSWRIO-UHFFFAOYSA-N 1 2 374.872 2.520 20 30 FFEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@H]1COc2ccccc2O1 ZINC000482641485 515747637 /nfs/dbraw/zinc/74/76/37/515747637.db2.gz YTTLIKYVDDEPNR-INIZCTEOSA-N 1 2 362.389 2.880 20 30 FFEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@H]1COc2ccccc2O1 ZINC000482641485 515747648 /nfs/dbraw/zinc/74/76/48/515747648.db2.gz YTTLIKYVDDEPNR-INIZCTEOSA-N 1 2 362.389 2.880 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000478240708 515750136 /nfs/dbraw/zinc/75/01/36/515750136.db2.gz WJWJSRYPNWBWQX-IAGOWNOFSA-N 1 2 361.873 2.518 20 30 FFEDLO Cc1cc(C)n2c(C[NH+]3CCN(Cc4ccc(C#N)cc4)CC3)cnc2n1 ZINC000506085583 515773874 /nfs/dbraw/zinc/77/38/74/515773874.db2.gz LCPHFXQGVHCIEP-UHFFFAOYSA-N 1 2 360.465 2.536 20 30 FFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000500663967 515807944 /nfs/dbraw/zinc/80/79/44/515807944.db2.gz KJWMMYVFLYJDPJ-UHFFFAOYSA-N 1 2 366.490 2.844 20 30 FFEDLO CN(CC(=O)Nc1ccc(C#N)cc1)Cc1[nH+]ccn1Cc1ccccc1 ZINC000464739964 515943076 /nfs/dbraw/zinc/94/30/76/515943076.db2.gz QTELODZPXISGLJ-UHFFFAOYSA-N 1 2 359.433 2.874 20 30 FFEDLO Cn1cc(C[N@H+](C)CC(=O)Nc2ccccc2Br)cc1C#N ZINC000483145872 515949870 /nfs/dbraw/zinc/94/98/70/515949870.db2.gz GTJKAXQNPZOLSK-UHFFFAOYSA-N 1 2 361.243 2.730 20 30 FFEDLO Cn1cc(C[N@@H+](C)CC(=O)Nc2ccccc2Br)cc1C#N ZINC000483145872 515949881 /nfs/dbraw/zinc/94/98/81/515949881.db2.gz GTJKAXQNPZOLSK-UHFFFAOYSA-N 1 2 361.243 2.730 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000457546979 515959204 /nfs/dbraw/zinc/95/92/04/515959204.db2.gz ZMJYTQOFOWXQPY-CVEARBPZSA-N 1 2 362.861 2.789 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1nncn1C ZINC000494781568 515962126 /nfs/dbraw/zinc/96/21/26/515962126.db2.gz HWPDAXKMGYTELB-NEPJUHHUSA-N 1 2 372.498 2.695 20 30 FFEDLO C=CC[N@H+](Cc1cn(C(C)(C)C)nn1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000483273500 516012121 /nfs/dbraw/zinc/01/21/21/516012121.db2.gz UICMDLSKOZUGMN-OAHLLOKOSA-N 1 2 366.473 2.758 20 30 FFEDLO C=CC[N@@H+](Cc1cn(C(C)(C)C)nn1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000483273500 516012125 /nfs/dbraw/zinc/01/21/25/516012125.db2.gz UICMDLSKOZUGMN-OAHLLOKOSA-N 1 2 366.473 2.758 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)NCc1ccc[nH+]c1N(C)C ZINC000479096836 516057003 /nfs/dbraw/zinc/05/70/03/516057003.db2.gz PDYKKQZISLRKCE-UHFFFAOYSA-N 1 2 368.437 2.503 20 30 FFEDLO N#CC1CC[NH+]([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000487997951 516072525 /nfs/dbraw/zinc/07/25/25/516072525.db2.gz XIMQREAKJILDRD-AWEZNQCLSA-N 1 2 351.328 2.573 20 30 FFEDLO C=C[C@H](C)NC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000465227515 516100639 /nfs/dbraw/zinc/10/06/39/516100639.db2.gz WGRFHYVGPXLGKW-XJKSGUPXSA-N 1 2 371.403 2.952 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507202614 516123473 /nfs/dbraw/zinc/12/34/73/516123473.db2.gz HGRXJPBRSXIFJD-ZACQAIPSSA-N 1 2 372.488 2.712 20 30 FFEDLO C=CCCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000483531498 516123785 /nfs/dbraw/zinc/12/37/85/516123785.db2.gz LWNLWKJNBGIBLO-UHFFFAOYSA-N 1 2 358.891 2.621 20 30 FFEDLO Cc1cc[nH+]c(N2CCN(Cc3nnc(-c4cccc(C#N)c4)o3)CC2)c1 ZINC000483541747 516127412 /nfs/dbraw/zinc/12/74/12/516127412.db2.gz HGSWKYLJAJSWRJ-UHFFFAOYSA-N 1 2 360.421 2.634 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@H](CO)O1 ZINC000470135863 516136373 /nfs/dbraw/zinc/13/63/73/516136373.db2.gz WIMDTLMLEXAQRY-IERDGZPVSA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@H](CO)O1 ZINC000470135863 516136383 /nfs/dbraw/zinc/13/63/83/516136383.db2.gz WIMDTLMLEXAQRY-IERDGZPVSA-N 1 2 352.434 2.719 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000512200079 516194212 /nfs/dbraw/zinc/19/42/12/516194212.db2.gz WKHZBFQBOOCKMX-HNNXBMFYSA-N 1 2 360.429 2.994 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000512200079 516194218 /nfs/dbraw/zinc/19/42/18/516194218.db2.gz WKHZBFQBOOCKMX-HNNXBMFYSA-N 1 2 360.429 2.994 20 30 FFEDLO Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000460598525 516198540 /nfs/dbraw/zinc/19/85/40/516198540.db2.gz PGBQGKVXAMUQAL-SFHVURJKSA-N 1 2 352.434 2.678 20 30 FFEDLO CCOC(=O)c1cnc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)s1 ZINC000483958472 516260587 /nfs/dbraw/zinc/26/05/87/516260587.db2.gz JSSWWDVVMUKMRM-UHFFFAOYSA-N 1 2 374.441 2.653 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000512419946 516271643 /nfs/dbraw/zinc/27/16/43/516271643.db2.gz FSHJUTAVMNHANC-OAHLLOKOSA-N 1 2 360.458 2.955 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000512419946 516271648 /nfs/dbraw/zinc/27/16/48/516271648.db2.gz FSHJUTAVMNHANC-OAHLLOKOSA-N 1 2 360.458 2.955 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC(Oc3cnccn3)CC2)c(OC(F)F)c1 ZINC000488739360 516298162 /nfs/dbraw/zinc/29/81/62/516298162.db2.gz VKWZPPMKKCRCNU-UHFFFAOYSA-N 1 2 360.364 2.993 20 30 FFEDLO C=CCn1cccc1C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000488753639 516301382 /nfs/dbraw/zinc/30/13/82/516301382.db2.gz RSUJHZNMCVWAKS-KRWDZBQOSA-N 1 2 359.495 2.881 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](Cc3nnc4n3CCCC4)CC2)c(F)c1 ZINC000512840539 516381344 /nfs/dbraw/zinc/38/13/44/516381344.db2.gz NOXFXMHVLSHXHT-UHFFFAOYSA-N 1 2 355.417 2.669 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000528369573 516385817 /nfs/dbraw/zinc/38/58/17/516385817.db2.gz SJIFRWHVFOJGQK-UZLBHIALSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000528369573 516385828 /nfs/dbraw/zinc/38/58/28/516385828.db2.gz SJIFRWHVFOJGQK-UZLBHIALSA-N 1 2 356.397 2.511 20 30 FFEDLO CCc1ccc([C@H]2C[N@H+](C[C@H](O)COc3ccccc3C#N)CCO2)cc1 ZINC000528473887 516462868 /nfs/dbraw/zinc/46/28/68/516462868.db2.gz JEZYULPVHDHVHB-RBBKRZOGSA-N 1 2 366.461 2.934 20 30 FFEDLO CCc1ccc([C@H]2C[N@@H+](C[C@H](O)COc3ccccc3C#N)CCO2)cc1 ZINC000528473887 516462877 /nfs/dbraw/zinc/46/28/77/516462877.db2.gz JEZYULPVHDHVHB-RBBKRZOGSA-N 1 2 366.461 2.934 20 30 FFEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ncc(C#N)cc1C ZINC000550969449 516499618 /nfs/dbraw/zinc/49/96/18/516499618.db2.gz WQHGXVQYWRNEOP-UHFFFAOYSA-N 1 2 350.422 2.655 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N2CCC(c3ccccc3)=N2)CC1 ZINC000554565402 516512678 /nfs/dbraw/zinc/51/26/78/516512678.db2.gz XCQVBMAXUMNEJO-UHFFFAOYSA-N 1 2 373.460 2.575 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)Cc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000536551703 516821091 /nfs/dbraw/zinc/82/10/91/516821091.db2.gz YLOXDAPIHJDPFY-AZUAARDMSA-N 1 2 355.388 2.941 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)Cc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000536551703 516821102 /nfs/dbraw/zinc/82/11/02/516821102.db2.gz YLOXDAPIHJDPFY-AZUAARDMSA-N 1 2 355.388 2.941 20 30 FFEDLO COc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)ccc1OCC(=O)N1CCCC1 ZINC000536709899 516904985 /nfs/dbraw/zinc/90/49/85/516904985.db2.gz IVCSKAAGQKKLJQ-MRXNPFEDSA-N 1 2 371.481 2.820 20 30 FFEDLO COc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)ccc1OCC(=O)N1CCCC1 ZINC000536709899 516904995 /nfs/dbraw/zinc/90/49/95/516904995.db2.gz IVCSKAAGQKKLJQ-MRXNPFEDSA-N 1 2 371.481 2.820 20 30 FFEDLO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 ZINC000544746066 516906922 /nfs/dbraw/zinc/90/69/22/516906922.db2.gz NBDQXINXEAZHDR-UHFFFAOYSA-N 1 2 361.511 2.526 20 30 FFEDLO N#Cc1ccc(SCC(=O)N2CC[NH+](Cc3ccco3)CC2)c(F)c1 ZINC000525116932 516919770 /nfs/dbraw/zinc/91/97/70/516919770.db2.gz XQFNICGNGRBAKJ-UHFFFAOYSA-N 1 2 359.426 2.727 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000519341366 516966213 /nfs/dbraw/zinc/96/62/13/516966213.db2.gz VAHJXGAFXPWHOT-BEFAXECRSA-N 1 2 359.445 2.962 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000519341366 516966225 /nfs/dbraw/zinc/96/62/25/516966225.db2.gz VAHJXGAFXPWHOT-BEFAXECRSA-N 1 2 359.445 2.962 20 30 FFEDLO C=CCOc1cccnc1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000537152074 517059114 /nfs/dbraw/zinc/05/91/14/517059114.db2.gz AFOKYLKBLWPZMY-UHFFFAOYSA-N 1 2 355.413 2.744 20 30 FFEDLO C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000514904280 517114225 /nfs/dbraw/zinc/11/42/25/517114225.db2.gz RFLOOCYDVHQTAU-HNNXBMFYSA-N 1 2 360.421 2.886 20 30 FFEDLO Cc1nc(N)c(CNC(=O)c2ccccc2Oc2ccccc2C#N)c[nH+]1 ZINC000552182714 517127917 /nfs/dbraw/zinc/12/79/17/517127917.db2.gz ZESGWJDLFYRRHY-UHFFFAOYSA-N 1 2 359.389 2.792 20 30 FFEDLO COC(=O)c1oc([C@@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)cc1C ZINC000559259292 517136565 /nfs/dbraw/zinc/13/65/65/517136565.db2.gz YWIRDHHDJXFGIV-CQSZACIVSA-N 1 2 354.410 2.525 20 30 FFEDLO CN(CC1CCCCC1)C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000525783693 517164708 /nfs/dbraw/zinc/16/47/08/517164708.db2.gz RKPGYXGQAUPFPW-UHFFFAOYSA-N 1 2 372.488 2.858 20 30 FFEDLO N#Cc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000519763710 517170204 /nfs/dbraw/zinc/17/02/04/517170204.db2.gz CVOJSYHOVFLIAY-UHFFFAOYSA-N 1 2 354.385 2.923 20 30 FFEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 ZINC000515070100 517199895 /nfs/dbraw/zinc/19/98/95/517199895.db2.gz YKTJCQJLKUYHJT-GFCCVEGCSA-N 1 2 373.507 2.982 20 30 FFEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 ZINC000515070100 517199899 /nfs/dbraw/zinc/19/98/99/517199899.db2.gz YKTJCQJLKUYHJT-GFCCVEGCSA-N 1 2 373.507 2.982 20 30 FFEDLO C[NH+](C)[C@@H](CNS(=O)(=O)CCC(C)(C)C#N)c1ccccc1Cl ZINC000555948877 517201810 /nfs/dbraw/zinc/20/18/10/517201810.db2.gz URRJADQTQIFCMF-HNNXBMFYSA-N 1 2 357.907 2.802 20 30 FFEDLO Cc1[nH+]c2cc(NC(=O)C(=O)Nc3ccc(C#N)cc3Cl)ccc2n1C ZINC000525904002 517226406 /nfs/dbraw/zinc/22/64/06/517226406.db2.gz GANDQUXCGNTAPS-UHFFFAOYSA-N 1 2 367.796 2.984 20 30 FFEDLO CCN(CC)c1ncc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)s1 ZINC000545551007 517287637 /nfs/dbraw/zinc/28/76/37/517287637.db2.gz NWZSJTMORJZBAQ-UHFFFAOYSA-N 1 2 356.499 2.578 20 30 FFEDLO Cc1nn(C(C)C)cc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000520249209 517318609 /nfs/dbraw/zinc/31/86/09/517318609.db2.gz RGHJZRGUNJWIDW-UHFFFAOYSA-N 1 2 351.454 2.602 20 30 FFEDLO C=CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000548963380 517329396 /nfs/dbraw/zinc/32/93/96/517329396.db2.gz NOFAKAFOQFJZBY-UHFFFAOYSA-N 1 2 364.453 2.750 20 30 FFEDLO Cc1cc(-c2noc([C@H](C)[NH2+][C@@H](C)C(=O)NC3(C#N)CCC3)n2)ccc1F ZINC000527049495 517472507 /nfs/dbraw/zinc/47/25/07/517472507.db2.gz QSGDATOBBOEIAN-STQMWFEESA-N 1 2 371.416 2.786 20 30 FFEDLO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000549369133 517529043 /nfs/dbraw/zinc/52/90/43/517529043.db2.gz PVPXHKMFBSROBT-UHFFFAOYSA-N 1 2 373.464 2.554 20 30 FFEDLO C[C@@H](C#N)CN(CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)C1CC1 ZINC000533596176 517542523 /nfs/dbraw/zinc/54/25/23/517542523.db2.gz FXPIPWFBIIBHPH-INIZCTEOSA-N 1 2 374.916 2.608 20 30 FFEDLO Cc1cc(-c2nnc(C[NH+]3CCN(c4cccc(C#N)n4)CC3)o2)c(C)o1 ZINC000546209849 517599841 /nfs/dbraw/zinc/59/98/41/517599841.db2.gz KDOHILSMRLAMTI-UHFFFAOYSA-N 1 2 364.409 2.535 20 30 FFEDLO N#CC1(NC(=O)C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)CCC1 ZINC000527378085 517666854 /nfs/dbraw/zinc/66/68/54/517666854.db2.gz JBXTUEQGVCYQCQ-LJQANCHMSA-N 1 2 362.433 2.518 20 30 FFEDLO N#Cc1c(F)cccc1CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000521336305 517694318 /nfs/dbraw/zinc/69/43/18/517694318.db2.gz QPEWHQNNHZBQDT-UHFFFAOYSA-N 1 2 367.424 2.786 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000516538507 517729285 /nfs/dbraw/zinc/72/92/85/517729285.db2.gz IDZJGAVFEXDJPE-UHFFFAOYSA-N 1 2 364.449 2.827 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](CCOc3ccc(F)cc3Cl)CC2)c1 ZINC000556956881 517773711 /nfs/dbraw/zinc/77/37/11/517773711.db2.gz WMDDXDZTVLOXKX-UHFFFAOYSA-N 1 2 360.820 2.947 20 30 FFEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)CCN1Cc1ccc(C#N)cn1 ZINC000563349569 517840781 /nfs/dbraw/zinc/84/07/81/517840781.db2.gz HASZSVZOTGATJC-JTSKRJEESA-N 1 2 374.492 2.952 20 30 FFEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCN1Cc1ccc(C#N)cn1 ZINC000563349569 517840792 /nfs/dbraw/zinc/84/07/92/517840792.db2.gz HASZSVZOTGATJC-JTSKRJEESA-N 1 2 374.492 2.952 20 30 FFEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000550069217 517844668 /nfs/dbraw/zinc/84/46/68/517844668.db2.gz VTEOSUZIRSNDSO-UHFFFAOYSA-N 1 2 362.433 2.555 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](C)Cc2cc(OC)cc(OC)c2)c1C#N ZINC000534487633 517911992 /nfs/dbraw/zinc/91/19/92/517911992.db2.gz NBVLQHWTGXOFII-UHFFFAOYSA-N 1 2 354.406 2.994 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2cc(OC)cc(OC)c2)c1C#N ZINC000534487633 517912000 /nfs/dbraw/zinc/91/20/00/517912000.db2.gz NBVLQHWTGXOFII-UHFFFAOYSA-N 1 2 354.406 2.994 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3cc4c(c(Cl)c3)OCO4)CC2)n1 ZINC000546919569 517921123 /nfs/dbraw/zinc/92/11/23/517921123.db2.gz FLMPOAQAAJZXHO-UHFFFAOYSA-N 1 2 356.813 2.658 20 30 FFEDLO CC1CCC(NC(=O)C[NH+]2CCN(Cc3cccc(C#N)c3F)CC2)CC1 ZINC000539249228 517965661 /nfs/dbraw/zinc/96/56/61/517965661.db2.gz XIWOYQJOIZVILI-UHFFFAOYSA-N 1 2 372.488 2.510 20 30 FFEDLO CCCCN(CCCC)C(=O)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000517006653 517970200 /nfs/dbraw/zinc/97/02/00/517970200.db2.gz QUIZHOFRBDPBCW-UHFFFAOYSA-N 1 2 357.502 2.504 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000553931250 517976732 /nfs/dbraw/zinc/97/67/32/517976732.db2.gz CBOXSTAMFVMEOQ-FRQCXROJSA-N 1 2 361.511 2.542 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000553931250 517976740 /nfs/dbraw/zinc/97/67/40/517976740.db2.gz CBOXSTAMFVMEOQ-FRQCXROJSA-N 1 2 361.511 2.542 20 30 FFEDLO C=CCC[C@H]([NH2+]Cc1nc(N)nc(N)n1)c1ccc(C(F)(F)F)cc1 ZINC000539330959 517996531 /nfs/dbraw/zinc/99/65/31/517996531.db2.gz KCJLWIFDQNRMNE-LBPRGKRZSA-N 1 2 352.364 2.513 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000550326431 517997447 /nfs/dbraw/zinc/99/74/47/517997447.db2.gz AJKJLYZGMBSYBC-KBPBESRZSA-N 1 2 357.479 2.920 20 30 FFEDLO C=C(C)[C@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(F)c(F)c1 ZINC000557578488 518088001 /nfs/dbraw/zinc/08/80/01/518088001.db2.gz YEXPDKHGKBZFGJ-KRWDZBQOSA-N 1 2 370.359 2.985 20 30 FFEDLO Cc1noc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)n1 ZINC000543509824 518123278 /nfs/dbraw/zinc/12/32/78/518123278.db2.gz SYXKVQMQTDTOHA-GFCCVEGCSA-N 1 2 361.833 2.937 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000543548520 518133962 /nfs/dbraw/zinc/13/39/62/518133962.db2.gz UQPQBYWRQRIRRB-WTOJCKNJSA-N 1 2 373.432 2.969 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)c1 ZINC000543557317 518135972 /nfs/dbraw/zinc/13/59/72/518135972.db2.gz BRMWGOIUSLFYPC-NRFANRHFSA-N 1 2 363.461 2.508 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)c1 ZINC000543557317 518135977 /nfs/dbraw/zinc/13/59/77/518135977.db2.gz BRMWGOIUSLFYPC-NRFANRHFSA-N 1 2 363.461 2.508 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000543559340 518137815 /nfs/dbraw/zinc/13/78/15/518137815.db2.gz QPZNVQYOGNCEFV-QFUCXCTJSA-N 1 2 357.498 2.763 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000543559340 518137822 /nfs/dbraw/zinc/13/78/22/518137822.db2.gz QPZNVQYOGNCEFV-QFUCXCTJSA-N 1 2 357.498 2.763 20 30 FFEDLO CCN(CC)c1ccc(CNC(=O)NCCc2cccc(C#N)c2)c[nH+]1 ZINC000563868887 518208874 /nfs/dbraw/zinc/20/88/74/518208874.db2.gz XEDZAJJOUQLPDG-UHFFFAOYSA-N 1 2 351.454 2.841 20 30 FFEDLO N#CC1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000569633290 518212853 /nfs/dbraw/zinc/21/28/53/518212853.db2.gz AEYZGWJSIPADFN-UHFFFAOYSA-N 1 2 357.151 2.593 20 30 FFEDLO C=CCCCCCNC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000581321262 518229852 /nfs/dbraw/zinc/22/98/52/518229852.db2.gz DJLSWISADUENMK-KRWDZBQOSA-N 1 2 372.444 2.627 20 30 FFEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000564019068 518271306 /nfs/dbraw/zinc/27/13/06/518271306.db2.gz UYLKXSFNFREHFG-INIZCTEOSA-N 1 2 357.454 2.941 20 30 FFEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000564019068 518271309 /nfs/dbraw/zinc/27/13/09/518271309.db2.gz UYLKXSFNFREHFG-INIZCTEOSA-N 1 2 357.454 2.941 20 30 FFEDLO CC(C)Cc1nnc(NC(=O)C[N@H+](C)Cc2ccc(C#N)c(F)c2)s1 ZINC000584439365 518341272 /nfs/dbraw/zinc/34/12/72/518341272.db2.gz ROJGTLUNDOEPGR-UHFFFAOYSA-N 1 2 361.446 2.818 20 30 FFEDLO CC(C)Cc1nnc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)c(F)c2)s1 ZINC000584439365 518341278 /nfs/dbraw/zinc/34/12/78/518341278.db2.gz ROJGTLUNDOEPGR-UHFFFAOYSA-N 1 2 361.446 2.818 20 30 FFEDLO COC(=O)c1oc([C@@H](C)[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1C ZINC000564255854 518370855 /nfs/dbraw/zinc/37/08/55/518370855.db2.gz FGUBDBLCYPREPD-CYBMUJFWSA-N 1 2 374.466 2.894 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000564419030 518442082 /nfs/dbraw/zinc/44/20/82/518442082.db2.gz ZQVJGWRSCQMLCY-SUMDDJOVSA-N 1 2 354.454 2.862 20 30 FFEDLO N#Cc1ccc(-c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2C2CC2)cc1 ZINC000564462002 518462756 /nfs/dbraw/zinc/46/27/56/518462756.db2.gz LUPYMVNIWNNVEF-UHFFFAOYSA-N 1 2 371.448 2.873 20 30 FFEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000581905987 518495781 /nfs/dbraw/zinc/49/57/81/518495781.db2.gz GEXPJUJIOSYFAW-UHFFFAOYSA-N 1 2 367.453 2.613 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](CCc3ccc(F)cc3Cl)CC2)c1C#N ZINC000576392734 518569384 /nfs/dbraw/zinc/56/93/84/518569384.db2.gz VKXBDFQRUISVBI-UHFFFAOYSA-N 1 2 361.852 2.757 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(F)c(Br)cc1Cl ZINC000573254153 518577809 /nfs/dbraw/zinc/57/78/09/518577809.db2.gz RPNYWBKICYDJOM-CYBMUJFWSA-N 1 2 362.630 2.815 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(F)c(Br)cc1Cl ZINC000573254154 518578729 /nfs/dbraw/zinc/57/87/29/518578729.db2.gz RPNYWBKICYDJOM-ZDUSSCGKSA-N 1 2 362.630 2.815 20 30 FFEDLO CC[C@H](c1ccccc1OC)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000579279686 518604864 /nfs/dbraw/zinc/60/48/64/518604864.db2.gz SNZKDPWOQAGWCE-QGZVFWFLSA-N 1 2 373.478 2.819 20 30 FFEDLO CC[C@H](c1ccccc1OC)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000579279686 518604870 /nfs/dbraw/zinc/60/48/70/518604870.db2.gz SNZKDPWOQAGWCE-QGZVFWFLSA-N 1 2 373.478 2.819 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000573443841 518667717 /nfs/dbraw/zinc/66/77/17/518667717.db2.gz OBVNMYUSSFUFGH-MSOLQXFVSA-N 1 2 358.486 2.673 20 30 FFEDLO CC[NH+]1CCN(C(=O)[C@H](C)SCCCOc2cccc(C#N)c2)CC1 ZINC000582323723 518697272 /nfs/dbraw/zinc/69/72/72/518697272.db2.gz LWSDDORZQZLJTB-INIZCTEOSA-N 1 2 361.511 2.613 20 30 FFEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2cccc3ccccc32)c1=O ZINC000579549199 518732242 /nfs/dbraw/zinc/73/22/42/518732242.db2.gz WBNLFYPTFXAINU-UHFFFAOYSA-N 1 2 359.429 2.754 20 30 FFEDLO C[C@H](CC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)n1cc[nH+]c1 ZINC000565045165 518759563 /nfs/dbraw/zinc/75/95/63/518759563.db2.gz ALQLVORUFZJSTN-ODIFPOPNSA-N 1 2 353.426 2.607 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2ccc(C)c(Cl)c2Cl)c1C#N ZINC000582467067 518765518 /nfs/dbraw/zinc/76/55/18/518765518.db2.gz VMSXVAFXDKEISB-UHFFFAOYSA-N 1 2 366.252 2.723 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000568004161 518826439 /nfs/dbraw/zinc/82/64/39/518826439.db2.gz GYXNMVXDLSPUBK-SFHVURJKSA-N 1 2 353.378 2.855 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000568004161 518826445 /nfs/dbraw/zinc/82/64/45/518826445.db2.gz GYXNMVXDLSPUBK-SFHVURJKSA-N 1 2 353.378 2.855 20 30 FFEDLO COc1cccc(C[NH+]2CCN(c3cnccc3C#N)CC2)c1OC(F)F ZINC000565281800 518874998 /nfs/dbraw/zinc/87/49/98/518874998.db2.gz WSWQKIVYVMNQLP-UHFFFAOYSA-N 1 2 374.391 2.885 20 30 FFEDLO CCCc1ncc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000582888315 518970111 /nfs/dbraw/zinc/97/01/11/518970111.db2.gz MDCCXMADOQWQHB-UHFFFAOYSA-N 1 2 367.453 2.526 20 30 FFEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)c2cccc(C#N)n2)CC1 ZINC000589463643 519010108 /nfs/dbraw/zinc/01/01/08/519010108.db2.gz YOSRDWHYDWXWII-UHFFFAOYSA-N 1 2 354.841 2.873 20 30 FFEDLO C=CCC1(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)CCOCC1 ZINC000565593401 519034695 /nfs/dbraw/zinc/03/46/95/519034695.db2.gz FHFMMKUDBAFRLN-IRXDYDNUSA-N 1 2 373.497 2.684 20 30 FFEDLO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1ccccc1S(N)(=O)=O ZINC000590121135 519154518 /nfs/dbraw/zinc/15/45/18/519154518.db2.gz HBXMQIUYBVLCRO-UHFFFAOYSA-N 1 2 357.479 2.767 20 30 FFEDLO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1ccccc1S(N)(=O)=O ZINC000590121135 519154526 /nfs/dbraw/zinc/15/45/26/519154526.db2.gz HBXMQIUYBVLCRO-UHFFFAOYSA-N 1 2 357.479 2.767 20 30 FFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 ZINC000574487206 519177280 /nfs/dbraw/zinc/17/72/80/519177280.db2.gz XTNIDIMLICSIST-OAHLLOKOSA-N 1 2 365.474 2.528 20 30 FFEDLO CC(=O)c1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)on1 ZINC000577741756 519233452 /nfs/dbraw/zinc/23/34/52/519233452.db2.gz AEIQXSUVCDXSAT-UHFFFAOYSA-N 1 2 352.394 2.600 20 30 FFEDLO N#Cc1csc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)n1 ZINC000571728112 519241510 /nfs/dbraw/zinc/24/15/10/519241510.db2.gz NZYBWJUCMRGPIE-UHFFFAOYSA-N 1 2 370.434 2.594 20 30 FFEDLO Cc1ccc([C@@H](CNC(=O)[C@]2(C#N)CC23CCCC3)[NH+]2CCOCC2)cc1 ZINC000590622980 519293416 /nfs/dbraw/zinc/29/34/16/519293416.db2.gz GYNYGTRSIICYAV-DENIHFKCSA-N 1 2 367.493 2.959 20 30 FFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1nc2c(cc1C#N)COCC2 ZINC000580695533 519305514 /nfs/dbraw/zinc/30/55/14/519305514.db2.gz OJRYRKTZCJGBPN-UHFFFAOYSA-N 1 2 359.433 2.907 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@@H](O)[C@H]2C)c1C#N ZINC000590762152 519356432 /nfs/dbraw/zinc/35/64/32/519356432.db2.gz IMZPUJBCIYQTEF-CRAIPNDOSA-N 1 2 358.486 2.875 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](O)[C@H]2C)c1C#N ZINC000590762152 519356437 /nfs/dbraw/zinc/35/64/37/519356437.db2.gz IMZPUJBCIYQTEF-CRAIPNDOSA-N 1 2 358.486 2.875 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000569296278 519473151 /nfs/dbraw/zinc/47/31/51/519473151.db2.gz SMXRHDDSZHEQSF-MAUKXSAKSA-N 1 2 360.502 2.878 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000569296278 519473157 /nfs/dbraw/zinc/47/31/57/519473157.db2.gz SMXRHDDSZHEQSF-MAUKXSAKSA-N 1 2 360.502 2.878 20 30 FFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000591334990 519594841 /nfs/dbraw/zinc/59/48/41/519594841.db2.gz BRPGVGUZZIUWBQ-PKOBYXMFSA-N 1 2 361.449 2.909 20 30 FFEDLO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856932 519928879 /nfs/dbraw/zinc/92/88/79/519928879.db2.gz MXCDSRMVJLGGMB-GBESFXJTSA-N 1 2 368.525 2.732 20 30 FFEDLO CCC[C@H](NC(=O)[C@H](C)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602856689 519930172 /nfs/dbraw/zinc/93/01/72/519930172.db2.gz MBMKXSZZMVBMRD-JPLJXNOCSA-N 1 2 356.514 2.951 20 30 FFEDLO C[C@@H]1C[NH+](CC(=O)Nc2ccccc2C(F)(F)F)C[C@@H](C)N1CC#N ZINC000602858409 519930681 /nfs/dbraw/zinc/93/06/81/519930681.db2.gz RTDVQKOBCVBGTM-CHWSQXEVSA-N 1 2 354.376 2.562 20 30 FFEDLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602859311 519930758 /nfs/dbraw/zinc/93/07/58/519930758.db2.gz FBXBPXIFBVGEBF-HRCADAONSA-N 1 2 362.905 2.778 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C[C@H](C)N1CC#N ZINC000602858873 519931427 /nfs/dbraw/zinc/93/14/27/519931427.db2.gz CIFPYBGJQYRKTD-KGVIQGDOSA-N 1 2 368.525 2.952 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C[C@H](C)N1CC#N ZINC000602858873 519931437 /nfs/dbraw/zinc/93/14/37/519931437.db2.gz CIFPYBGJQYRKTD-KGVIQGDOSA-N 1 2 368.525 2.952 20 30 FFEDLO CN(C)c1c[nH+]ccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000612391671 519933971 /nfs/dbraw/zinc/93/39/71/519933971.db2.gz UYPBLFWQUCHOGP-UHFFFAOYSA-N 1 2 362.389 2.865 20 30 FFEDLO COc1ccc(C(NC(=O)C[NH2+][C@H](C)CC#N)c2ccc(OC)cc2)cc1 ZINC000602868570 519938659 /nfs/dbraw/zinc/93/86/59/519938659.db2.gz JJOLPRSCOCEXAC-OAHLLOKOSA-N 1 2 367.449 2.801 20 30 FFEDLO COc1cc(C)c([C@H](C)NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cc1OC ZINC000602977420 520002695 /nfs/dbraw/zinc/00/26/95/520002695.db2.gz AWTLLSORQZLCOJ-YQQAZPJKSA-N 1 2 359.470 2.814 20 30 FFEDLO COc1cc(C)c([C@H](C)NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1OC ZINC000602977420 520002706 /nfs/dbraw/zinc/00/27/06/520002706.db2.gz AWTLLSORQZLCOJ-YQQAZPJKSA-N 1 2 359.470 2.814 20 30 FFEDLO N#Cc1cccc(OCc2ccoc2C(=O)N2CC[NH+](CCCF)CC2)c1 ZINC000600072514 520030314 /nfs/dbraw/zinc/03/03/14/520030314.db2.gz WQQCNTKWTUTXAO-UHFFFAOYSA-N 1 2 371.412 2.848 20 30 FFEDLO N#Cc1cc(F)cc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000603082980 520068784 /nfs/dbraw/zinc/06/87/84/520068784.db2.gz VJYYGKSLQODCRA-MRXNPFEDSA-N 1 2 374.441 2.954 20 30 FFEDLO N#CC[C@]1(O)CCN(c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000591974604 520115870 /nfs/dbraw/zinc/11/58/70/520115870.db2.gz JPLDLLWQKCFEMW-HNNXBMFYSA-N 1 2 350.191 2.991 20 30 FFEDLO CC(C)(C#N)c1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ncon3)C2)cc1 ZINC000597640455 520150131 /nfs/dbraw/zinc/15/01/31/520150131.db2.gz KSAWKWJNMKTHNU-HNNXBMFYSA-N 1 2 367.453 2.513 20 30 FFEDLO CC(C)(C#N)c1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ncon3)C2)cc1 ZINC000597640455 520150136 /nfs/dbraw/zinc/15/01/36/520150136.db2.gz KSAWKWJNMKTHNU-HNNXBMFYSA-N 1 2 367.453 2.513 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000594777122 520151203 /nfs/dbraw/zinc/15/12/03/520151203.db2.gz URLPXEGEEMFBCJ-TXEJJXNPSA-N 1 2 363.508 2.795 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000594777122 520151209 /nfs/dbraw/zinc/15/12/09/520151209.db2.gz URLPXEGEEMFBCJ-TXEJJXNPSA-N 1 2 363.508 2.795 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000609096918 520189990 /nfs/dbraw/zinc/18/99/90/520189990.db2.gz XGEKTFHKWAQCJA-LJQANCHMSA-N 1 2 359.433 2.534 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(c2c(C#N)cnn2-c2ccccc2)CC1 ZINC000603277262 520193145 /nfs/dbraw/zinc/19/31/45/520193145.db2.gz ZLFCPFKIICKSDX-UHFFFAOYSA-N 1 2 362.437 2.671 20 30 FFEDLO N#Cc1cnccc1SCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000594907565 520212035 /nfs/dbraw/zinc/21/20/35/520212035.db2.gz DVPUXKYREQVTLE-UHFFFAOYSA-N 1 2 368.462 2.516 20 30 FFEDLO Cc1cc(NCCNC(=O)[C@H](C#N)CCc2ccccc2)nc(C(C)C)[nH+]1 ZINC000600367376 520225765 /nfs/dbraw/zinc/22/57/65/520225765.db2.gz STUYOPDDCAVKHR-SFHVURJKSA-N 1 2 365.481 2.631 20 30 FFEDLO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148346 520227101 /nfs/dbraw/zinc/22/71/01/520227101.db2.gz UGUMEKMAEQDUPG-HXUWFJFHSA-N 1 2 353.422 2.570 20 30 FFEDLO CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148346 520227106 /nfs/dbraw/zinc/22/71/06/520227106.db2.gz UGUMEKMAEQDUPG-HXUWFJFHSA-N 1 2 353.422 2.570 20 30 FFEDLO N#Cc1ccc(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)c(F)c1 ZINC000609239664 520242930 /nfs/dbraw/zinc/24/29/30/520242930.db2.gz UYSADHZPABMAFA-UHFFFAOYSA-N 1 2 363.396 2.942 20 30 FFEDLO COc1ccc(COCCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000609384967 520300012 /nfs/dbraw/zinc/30/00/12/520300012.db2.gz ZLZLALKFHAQJLH-UHFFFAOYSA-N 1 2 365.477 2.901 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000609439093 520310489 /nfs/dbraw/zinc/31/04/89/520310489.db2.gz YKWHHUDCBAALOJ-GJZGRUSLSA-N 1 2 362.499 2.923 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000609439093 520310496 /nfs/dbraw/zinc/31/04/96/520310496.db2.gz YKWHHUDCBAALOJ-GJZGRUSLSA-N 1 2 362.499 2.923 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000609439095 520311349 /nfs/dbraw/zinc/31/13/49/520311349.db2.gz YKWHHUDCBAALOJ-LSDHHAIUSA-N 1 2 362.499 2.923 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000609439095 520311359 /nfs/dbraw/zinc/31/13/59/520311359.db2.gz YKWHHUDCBAALOJ-LSDHHAIUSA-N 1 2 362.499 2.923 20 30 FFEDLO CCc1ccc([C@H](C)NC(=O)C[NH+]2CCN([C@H](C#N)C(C)C)CC2)cc1 ZINC000609487152 520330407 /nfs/dbraw/zinc/33/04/07/520330407.db2.gz XOUGCGHZTFVVAP-FXAWDEMLSA-N 1 2 356.514 2.592 20 30 FFEDLO CC1CCN(c2ccc(CNC(=O)COc3ccccc3C#N)c[nH+]2)CC1 ZINC000603699955 520346229 /nfs/dbraw/zinc/34/62/29/520346229.db2.gz FBLDSYLGTAFKPI-UHFFFAOYSA-N 1 2 364.449 2.885 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000609537980 520347236 /nfs/dbraw/zinc/34/72/36/520347236.db2.gz GQVLIBKJDGWGPI-SQNIBIBYSA-N 1 2 374.554 2.966 20 30 FFEDLO C=CCCSCCNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000597966777 520354737 /nfs/dbraw/zinc/35/47/37/520354737.db2.gz CJRQKTNJUXTPFG-UHFFFAOYSA-N 1 2 356.495 2.858 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000600698012 520406662 /nfs/dbraw/zinc/40/66/62/520406662.db2.gz BQMFMXDRIZJEQQ-QGZVFWFLSA-N 1 2 361.873 2.578 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000600698012 520406669 /nfs/dbraw/zinc/40/66/69/520406669.db2.gz BQMFMXDRIZJEQQ-QGZVFWFLSA-N 1 2 361.873 2.578 20 30 FFEDLO Cc1[nH+]cn(-c2ccc(NC[C@H](O)CC3(C#N)CCOCC3)cc2)c1C ZINC000600739320 520437947 /nfs/dbraw/zinc/43/79/47/520437947.db2.gz QZLYDTKNWUFWGZ-LJQANCHMSA-N 1 2 354.454 2.972 20 30 FFEDLO C=CCCSCCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000595444407 520473720 /nfs/dbraw/zinc/47/37/20/520473720.db2.gz YMWBLDZLMOZWKZ-GOSISDBHSA-N 1 2 363.527 2.668 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000600829768 520492184 /nfs/dbraw/zinc/49/21/84/520492184.db2.gz LXDPUXNHQDHDMT-FRQCXROJSA-N 1 2 360.477 2.701 20 30 FFEDLO C[C@@]1(C#N)CCN(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)C1 ZINC000595538151 520534618 /nfs/dbraw/zinc/53/46/18/520534618.db2.gz MSTOLDVAPHRDIX-FQEVSTJZSA-N 1 2 351.454 2.961 20 30 FFEDLO COC(=O)C1([N@H+](C2CC2)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC1 ZINC000595542014 520538488 /nfs/dbraw/zinc/53/84/88/520538488.db2.gz LGROKFHLVBSCKF-SFHVURJKSA-N 1 2 367.449 2.614 20 30 FFEDLO COC(=O)C1([N@@H+](C2CC2)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC1 ZINC000595542014 520538496 /nfs/dbraw/zinc/53/84/96/520538496.db2.gz LGROKFHLVBSCKF-SFHVURJKSA-N 1 2 367.449 2.614 20 30 FFEDLO COC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1)CCC2 ZINC000595615196 520594373 /nfs/dbraw/zinc/59/43/73/520594373.db2.gz KSQJPOKDWNMRDX-LBPRGKRZSA-N 1 2 361.467 2.588 20 30 FFEDLO COC(=O)c1c2c(sc1NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1)CCC2 ZINC000595615196 520594379 /nfs/dbraw/zinc/59/43/79/520594379.db2.gz KSQJPOKDWNMRDX-LBPRGKRZSA-N 1 2 361.467 2.588 20 30 FFEDLO N#Cc1ccc(SCC(=O)NCCNc2ccc3ccccc3[nH+]2)cc1 ZINC000610247144 520600074 /nfs/dbraw/zinc/60/00/74/520600074.db2.gz CCETZIFNLBYSCG-UHFFFAOYSA-N 1 2 362.458 2.849 20 30 FFEDLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632197 520608930 /nfs/dbraw/zinc/60/89/30/520608930.db2.gz BIUVFMVONCOCAR-BZUAXINKSA-N 1 2 360.527 2.635 20 30 FFEDLO C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595634082 520610936 /nfs/dbraw/zinc/61/09/36/520610936.db2.gz WWDNYTCPPDFIBF-HNNXBMFYSA-N 1 2 360.527 2.921 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)OC)[C@H](C)COC ZINC000595638672 520614273 /nfs/dbraw/zinc/61/42/73/520614273.db2.gz KIOHUJKHEUBPSE-LLVKDONJSA-N 1 2 354.472 2.613 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)OC)[C@H](C)COC ZINC000595638672 520614281 /nfs/dbraw/zinc/61/42/81/520614281.db2.gz KIOHUJKHEUBPSE-LLVKDONJSA-N 1 2 354.472 2.613 20 30 FFEDLO C[C@H](c1cnccn1)[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595730371 520677299 /nfs/dbraw/zinc/67/72/99/520677299.db2.gz BRRIMSDVKVMPMZ-OAHLLOKOSA-N 1 2 359.437 2.622 20 30 FFEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)[C@@H]2CCCC[C@@H]12 ZINC000595737093 520686934 /nfs/dbraw/zinc/68/69/34/520686934.db2.gz OTTYKYSCVOHEDF-RRFJBIMHSA-N 1 2 361.467 2.612 20 30 FFEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)[C@@H]2CCCC[C@@H]12 ZINC000595737093 520686940 /nfs/dbraw/zinc/68/69/40/520686940.db2.gz OTTYKYSCVOHEDF-RRFJBIMHSA-N 1 2 361.467 2.612 20 30 FFEDLO CC[C@]1(O)CCCN(c2cc(C)[nH+]c(N3CCC[C@@](O)(CC)C3)c2C#N)C1 ZINC000601233680 520700179 /nfs/dbraw/zinc/70/01/79/520700179.db2.gz MSIPCFUKNKUSCG-SFTDATJTSA-N 1 2 372.513 2.744 20 30 FFEDLO N#Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1 ZINC000601239953 520703264 /nfs/dbraw/zinc/70/32/64/520703264.db2.gz SXBHRZVQUNQZOL-UHFFFAOYSA-N 1 2 353.451 2.828 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2c2cccc(F)c2)cc1 ZINC000595759846 520703370 /nfs/dbraw/zinc/70/33/70/520703370.db2.gz OUKZUUYOBRCWPN-UYAOXDASSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@@H]2c2cccc(F)c2)cc1 ZINC000595759846 520703379 /nfs/dbraw/zinc/70/33/79/520703379.db2.gz OUKZUUYOBRCWPN-UYAOXDASSA-N 1 2 356.397 2.511 20 30 FFEDLO N#C[C@H]1CCC[C@@H]1NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000610496662 520715294 /nfs/dbraw/zinc/71/52/94/520715294.db2.gz IILPKRNOIICABX-SJORKVTESA-N 1 2 364.449 2.965 20 30 FFEDLO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1nnc2n1CCCCC2 ZINC000595799906 520735265 /nfs/dbraw/zinc/73/52/65/520735265.db2.gz JTUPAAWUFMCOOF-WMLDXEAASA-N 1 2 366.469 2.944 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000610581180 520750334 /nfs/dbraw/zinc/75/03/34/520750334.db2.gz JQPAPUBFTBOSMQ-SBHAEUEKSA-N 1 2 361.445 2.841 20 30 FFEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000610613599 520766102 /nfs/dbraw/zinc/76/61/02/520766102.db2.gz BARDXHBRTKVOOY-UHFFFAOYSA-N 1 2 355.463 2.895 20 30 FFEDLO CC[C@H](Cc1ccccc1Br)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593154484 520785691 /nfs/dbraw/zinc/78/56/91/520785691.db2.gz WLDJDANCQMEOFI-DYVFJYSZSA-N 1 2 366.303 2.978 20 30 FFEDLO CCc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2c(CC(C)(C)C)noc2n1 ZINC000593153331 520785715 /nfs/dbraw/zinc/78/57/15/520785715.db2.gz WVBKBDOAYHTTKF-FQEVSTJZSA-N 1 2 371.485 2.947 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1c(Cl)cccc1Br ZINC000598836343 520868652 /nfs/dbraw/zinc/86/86/52/520868652.db2.gz GWPSYOWVCULXKK-CQSZACIVSA-N 1 2 358.667 2.605 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)NCC2(C#N)CCCC2)[NH+]2CCOCC2)c1 ZINC000593304970 520896448 /nfs/dbraw/zinc/89/64/48/520896448.db2.gz HHXSCQWPGDFEFJ-IBGZPJMESA-N 1 2 370.497 2.752 20 30 FFEDLO COC(=O)CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccccc1 ZINC000610939751 520910611 /nfs/dbraw/zinc/91/06/11/520910611.db2.gz CWQSVUIQNVNKHN-UHFFFAOYSA-N 1 2 369.421 2.772 20 30 FFEDLO COC(=O)CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccccc1 ZINC000610939751 520910617 /nfs/dbraw/zinc/91/06/17/520910617.db2.gz CWQSVUIQNVNKHN-UHFFFAOYSA-N 1 2 369.421 2.772 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1F ZINC000596109379 520917969 /nfs/dbraw/zinc/91/79/69/520917969.db2.gz OJOLOUGQCCAMNQ-WMLDXEAASA-N 1 2 355.417 2.984 20 30 FFEDLO N#Cc1ccc(C2(C(=O)N3CC[NH+](Cc4ccc(O)cc4)CC3)CC2)cc1 ZINC000601726576 520920941 /nfs/dbraw/zinc/92/09/41/520920941.db2.gz BMFNWFIVIGVQPM-UHFFFAOYSA-N 1 2 361.445 2.640 20 30 FFEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)c1 ZINC000601726561 520921108 /nfs/dbraw/zinc/92/11/08/520921108.db2.gz AUNPXZWGXWWVSP-LEWJYISDSA-N 1 2 361.445 2.712 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1C#N ZINC000610993255 520935288 /nfs/dbraw/zinc/93/52/88/520935288.db2.gz INTIAXCSZPOMFF-UHFFFAOYSA-N 1 2 363.421 2.626 20 30 FFEDLO N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000598948474 520936653 /nfs/dbraw/zinc/93/66/53/520936653.db2.gz QCTYNCIVTLVVRY-MRXNPFEDSA-N 1 2 362.389 2.672 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccccc1Br ZINC000611012893 520946715 /nfs/dbraw/zinc/94/67/15/520946715.db2.gz FAQWTCMHDZCBFJ-NHYWBVRUSA-N 1 2 359.227 2.589 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1)C1CC1 ZINC000611039641 520956993 /nfs/dbraw/zinc/95/69/93/520956993.db2.gz YNGHELSKLNIBIH-DNVCBOLYSA-N 1 2 361.873 2.992 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1)C1CC1 ZINC000611039641 520957004 /nfs/dbraw/zinc/95/70/04/520957004.db2.gz YNGHELSKLNIBIH-DNVCBOLYSA-N 1 2 361.873 2.992 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCc4ccccc43)CC2)cc1 ZINC000614466110 520982930 /nfs/dbraw/zinc/98/29/30/520982930.db2.gz VNOBPFHMOWAHEZ-FQEVSTJZSA-N 1 2 367.474 2.552 20 30 FFEDLO N#CCc1cccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000601851304 520986038 /nfs/dbraw/zinc/98/60/38/520986038.db2.gz KRHDOVMODZNGMY-UHFFFAOYSA-N 1 2 352.463 2.631 20 30 FFEDLO Cc1nc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c(Cl)cc1C#N ZINC000599183874 521077268 /nfs/dbraw/zinc/07/72/68/521077268.db2.gz CKSAATJQJQZYMN-INIZCTEOSA-N 1 2 357.845 2.623 20 30 FFEDLO Cc1nc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c(Cl)cc1C#N ZINC000599183874 521077277 /nfs/dbraw/zinc/07/72/77/521077277.db2.gz CKSAATJQJQZYMN-INIZCTEOSA-N 1 2 357.845 2.623 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)CC1(C)C ZINC000593604322 521104038 /nfs/dbraw/zinc/10/40/38/521104038.db2.gz QNUBODFGAUCVPO-MRXNPFEDSA-N 1 2 372.494 2.993 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)C(C)(C)CO ZINC000596505467 521104167 /nfs/dbraw/zinc/10/41/67/521104167.db2.gz UBWGBXNZUFYOCV-IRXDYDNUSA-N 1 2 369.469 2.824 20 30 FFEDLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000611431986 521152819 /nfs/dbraw/zinc/15/28/19/521152819.db2.gz FYLZERSJHHRGOZ-QUCCMNQESA-N 1 2 356.514 2.589 20 30 FFEDLO C[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccn1 ZINC000596662256 521200191 /nfs/dbraw/zinc/20/01/91/521200191.db2.gz IAJFZRLPMFKYGO-KRWDZBQOSA-N 1 2 363.465 2.584 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c(Cl)c1 ZINC000611538115 521209031 /nfs/dbraw/zinc/20/90/31/521209031.db2.gz KTOWNXXTDJXZAR-UHFFFAOYSA-N 1 2 359.798 2.593 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ccc4[nH+]ccn4c3)C2=O)cc1 ZINC000611557267 521218834 /nfs/dbraw/zinc/21/88/34/521218834.db2.gz LCWYFRRPTVRKIZ-QGZVFWFLSA-N 1 2 374.404 2.523 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000596699993 521231418 /nfs/dbraw/zinc/23/14/18/521231418.db2.gz VZSGWGIZADNAPM-HUUCEWRRSA-N 1 2 360.458 2.576 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000596699993 521231422 /nfs/dbraw/zinc/23/14/22/521231422.db2.gz VZSGWGIZADNAPM-HUUCEWRRSA-N 1 2 360.458 2.576 20 30 FFEDLO COc1cc(C)c(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c(C)n1 ZINC000611624439 521254045 /nfs/dbraw/zinc/25/40/45/521254045.db2.gz TXGHDNARQZIRSQ-UHFFFAOYSA-N 1 2 367.453 2.766 20 30 FFEDLO CCn1cc([C@@H]2CSCC[N@@H+]2CCOc2ccc(C#N)cc2OC)cn1 ZINC000618901185 521285295 /nfs/dbraw/zinc/28/52/95/521285295.db2.gz HBSMVFUWZHMNQZ-KRWDZBQOSA-N 1 2 372.494 2.952 20 30 FFEDLO CCn1cc([C@@H]2CSCC[N@H+]2CCOc2ccc(C#N)cc2OC)cn1 ZINC000618901185 521285302 /nfs/dbraw/zinc/28/53/02/521285302.db2.gz HBSMVFUWZHMNQZ-KRWDZBQOSA-N 1 2 372.494 2.952 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCCC(F)(F)CC1 ZINC000599553270 521293523 /nfs/dbraw/zinc/29/35/23/521293523.db2.gz XYZDWFZDEQFGQS-UHFFFAOYSA-N 1 2 359.380 2.804 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCCC(F)(F)CC1 ZINC000599553270 521293532 /nfs/dbraw/zinc/29/35/32/521293532.db2.gz XYZDWFZDEQFGQS-UHFFFAOYSA-N 1 2 359.380 2.804 20 30 FFEDLO C=CCCn1cc(C[S@](=O)Cc2c[nH+]cn2Cc2ccccc2)nn1 ZINC000593937650 521302445 /nfs/dbraw/zinc/30/24/45/521302445.db2.gz VGFDWQYLOLYNLK-VWLOTQADSA-N 1 2 355.467 2.548 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1C ZINC000599632404 521345526 /nfs/dbraw/zinc/34/55/26/521345526.db2.gz JUTVKEAFMNGAEQ-FIAZIHOUSA-N 1 2 373.522 2.536 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1C ZINC000599632404 521345531 /nfs/dbraw/zinc/34/55/31/521345531.db2.gz JUTVKEAFMNGAEQ-FIAZIHOUSA-N 1 2 373.522 2.536 20 30 FFEDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678364 521393329 /nfs/dbraw/zinc/39/33/29/521393329.db2.gz UPNTZVYOSWWYOP-UHFFFAOYSA-N 1 2 364.405 2.966 20 30 FFEDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678364 521393335 /nfs/dbraw/zinc/39/33/35/521393335.db2.gz UPNTZVYOSWWYOP-UHFFFAOYSA-N 1 2 364.405 2.966 20 30 FFEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000599731771 521435540 /nfs/dbraw/zinc/43/55/40/521435540.db2.gz RNRWVYITSKMGKZ-QGZVFWFLSA-N 1 2 366.421 2.803 20 30 FFEDLO C[N@H+]1CCOC[C@H]1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000599731771 521435545 /nfs/dbraw/zinc/43/55/45/521435545.db2.gz RNRWVYITSKMGKZ-QGZVFWFLSA-N 1 2 366.421 2.803 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000607736301 521447580 /nfs/dbraw/zinc/44/75/80/521447580.db2.gz RZZZEVGASRCRAB-UHFFFAOYSA-N 1 2 368.380 2.649 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000607736301 521447586 /nfs/dbraw/zinc/44/75/86/521447586.db2.gz RZZZEVGASRCRAB-UHFFFAOYSA-N 1 2 368.380 2.649 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1cccc(Br)c1 ZINC000597042017 521462330 /nfs/dbraw/zinc/46/23/30/521462330.db2.gz SGMJYIRGCWJSAB-WFASDCNBSA-N 1 2 359.227 2.589 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@](C)(C#N)C2)c(OC)c1 ZINC000612163099 521514769 /nfs/dbraw/zinc/51/47/69/521514769.db2.gz OKOHMUVGVKVCOM-GHTZIAJQSA-N 1 2 371.481 2.993 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@](C)(C#N)C2)c(OC)c1 ZINC000612163099 521514775 /nfs/dbraw/zinc/51/47/75/521514775.db2.gz OKOHMUVGVKVCOM-GHTZIAJQSA-N 1 2 371.481 2.993 20 30 FFEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)c2ccc(C(F)(F)F)c(C#N)n2)C1 ZINC000619697569 521829085 /nfs/dbraw/zinc/82/90/85/521829085.db2.gz SMXKWBDJNNBJTJ-ZDUSSCGKSA-N 1 2 354.376 2.519 20 30 FFEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)c2ccc(C(F)(F)F)c(C#N)n2)C1 ZINC000619697569 521829094 /nfs/dbraw/zinc/82/90/94/521829094.db2.gz SMXKWBDJNNBJTJ-ZDUSSCGKSA-N 1 2 354.376 2.519 20 30 FFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000619719692 521835774 /nfs/dbraw/zinc/83/57/74/521835774.db2.gz UZHXYEKHSSSAMS-HNNXBMFYSA-N 1 2 354.809 2.857 20 30 FFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000619721997 521837090 /nfs/dbraw/zinc/83/70/90/521837090.db2.gz KLKRYAHCDRGMJH-OAHLLOKOSA-N 1 2 357.410 2.652 20 30 FFEDLO COc1ccc2c(c1)OCC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C2 ZINC000619810450 521884126 /nfs/dbraw/zinc/88/41/26/521884126.db2.gz VETDEUOZQPUNNV-UHFFFAOYSA-N 1 2 365.433 2.836 20 30 FFEDLO COc1ccc2c(c1)OCC[N@H+](CC(=O)N(CCC#N)c1ccccc1)C2 ZINC000619810450 521884134 /nfs/dbraw/zinc/88/41/34/521884134.db2.gz VETDEUOZQPUNNV-UHFFFAOYSA-N 1 2 365.433 2.836 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cc1OC ZINC000628159284 523388398 /nfs/dbraw/zinc/38/83/98/523388398.db2.gz MJCHXNJPOKITMS-CQSZACIVSA-N 1 2 350.846 2.720 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cc1OC ZINC000628159284 523388404 /nfs/dbraw/zinc/38/84/04/523388404.db2.gz MJCHXNJPOKITMS-CQSZACIVSA-N 1 2 350.846 2.720 20 30 FFEDLO N#Cc1ccsc1NC(=O)CN1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000276155060 526771085 /nfs/dbraw/zinc/77/10/85/526771085.db2.gz ZTIMTFRDSAHMRA-OAHLLOKOSA-N 1 2 355.467 2.997 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2ccc3ccc(OC)cc3c2)c1C#N ZINC000519076299 562124493 /nfs/dbraw/zinc/12/44/93/562124493.db2.gz CYMZSKHLNYEDMD-UHFFFAOYSA-N 1 2 363.421 2.847 20 30 FFEDLO CC(=NNCc1ccc(-c2nn[nH]n2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000819772245 607254288 /nfs/dbraw/zinc/25/42/88/607254288.db2.gz BCCQCINLSPMFAW-UHFFFAOYSA-N 1 2 358.409 2.566 20 30 FFEDLO CC(C)c1[nH+]c(C=NNCc2ccc(-c3nn[nH]n3)cc2)c2ccccn21 ZINC000824358637 607889263 /nfs/dbraw/zinc/88/92/63/607889263.db2.gz NYAFGISQAVTBDE-UHFFFAOYSA-N 1 2 360.425 2.762 20 30 FFEDLO C=CC[NH+]1CCN(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)CC1 ZINC001165031422 721865372 /nfs/dbraw/zinc/86/53/72/721865372.db2.gz INGLHTHUXPVDCW-UHFFFAOYSA-N 1 2 369.900 2.954 20 30 FFEDLO Brc1cn2c(C=NNc3cc[nH+]c4ccccc34)cnc2cn1 ZINC000746370650 735479295 /nfs/dbraw/zinc/47/92/95/735479295.db2.gz OAWBMUWNWXNYEW-UHFFFAOYSA-N 1 2 367.210 2.908 20 30 FFEDLO CSc1ccc(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)cc1C#N ZINC000899376257 735480559 /nfs/dbraw/zinc/48/05/59/735480559.db2.gz KVBPQILJTJAPER-INIZCTEOSA-N 1 2 355.467 2.700 20 30 FFEDLO CSc1ccc(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)cc1C#N ZINC000899376257 735480561 /nfs/dbraw/zinc/48/05/61/735480561.db2.gz KVBPQILJTJAPER-INIZCTEOSA-N 1 2 355.467 2.700 20 30 FFEDLO C#CC[N@@H+](C)CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000192227159 729422823 /nfs/dbraw/zinc/42/28/23/729422823.db2.gz KOTGNFRGCVQRIS-UHFFFAOYSA-N 1 2 356.447 2.618 20 30 FFEDLO C#CC[N@H+](C)CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000192227159 729422824 /nfs/dbraw/zinc/42/28/24/729422824.db2.gz KOTGNFRGCVQRIS-UHFFFAOYSA-N 1 2 356.447 2.618 20 30 FFEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1nc2c(s1)CCCC2(C)C ZINC000329511030 729797832 /nfs/dbraw/zinc/79/78/32/729797832.db2.gz KILRRGSDBCFYQD-CYBMUJFWSA-N 1 2 365.547 2.719 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nn1 ZINC000640913198 730185712 /nfs/dbraw/zinc/18/57/12/730185712.db2.gz LYOMNXGYSKZJDF-CQSZACIVSA-N 1 2 359.861 2.861 20 30 FFEDLO C=CCn1c2ccccc2n(C[N@H+]2CC[C@](OC)(C(=O)OC)C2)c1=S ZINC000863297298 730765480 /nfs/dbraw/zinc/76/54/80/730765480.db2.gz SALRGZRFMHVRLX-GOSISDBHSA-N 1 2 361.467 2.580 20 30 FFEDLO C=CCn1c2ccccc2n(C[N@@H+]2CC[C@](OC)(C(=O)OC)C2)c1=S ZINC000863297298 730765484 /nfs/dbraw/zinc/76/54/84/730765484.db2.gz SALRGZRFMHVRLX-GOSISDBHSA-N 1 2 361.467 2.580 20 30 FFEDLO N#CCOc1ccc(Cl)cc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000767541428 737336667 /nfs/dbraw/zinc/33/66/67/737336667.db2.gz OYDWBIUVQVJKAX-UHFFFAOYSA-N 1 2 356.857 2.955 20 30 FFEDLO Cn1cc(CNc2[nH+]cccc2OCCCC#N)c(Br)n1 ZINC000865291684 730935891 /nfs/dbraw/zinc/93/58/91/730935891.db2.gz OLBHDRDUPAPDJN-UHFFFAOYSA-N 1 2 350.220 2.872 20 30 FFEDLO C=C(Cl)C[C@@H]1NC(=O)N([C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1=O ZINC000865302394 730937807 /nfs/dbraw/zinc/93/78/07/730937807.db2.gz VONFUUWVRYNBFX-GJZGRUSLSA-N 1 2 358.829 2.767 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)nn1 ZINC000657422264 731778589 /nfs/dbraw/zinc/77/85/89/731778589.db2.gz VCQSQWIUPPTDCD-INIZCTEOSA-N 1 2 363.824 2.542 20 30 FFEDLO CC[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1cccc(C#N)c1O ZINC000926503037 738622329 /nfs/dbraw/zinc/62/23/29/738622329.db2.gz MIGSGJBZCZBXKF-PGEKIEPBSA-N 1 2 350.484 2.908 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@@H+](CC2CC2)[C@@H](C(N)=O)C2CC2)c1 ZINC000879487038 732709525 /nfs/dbraw/zinc/70/95/25/732709525.db2.gz TZPCPYTWGDKPTJ-MRXNPFEDSA-N 1 2 362.271 2.797 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@H+](CC2CC2)[C@@H](C(N)=O)C2CC2)c1 ZINC000879487038 732709527 /nfs/dbraw/zinc/70/95/27/732709527.db2.gz TZPCPYTWGDKPTJ-MRXNPFEDSA-N 1 2 362.271 2.797 20 30 FFEDLO N#Cc1csc(C[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)n1 ZINC000880222645 732868977 /nfs/dbraw/zinc/86/89/77/732868977.db2.gz ZSORRXGDTKOYNS-OTVXOJSOSA-N 1 2 364.268 2.917 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000884057382 733473694 /nfs/dbraw/zinc/47/36/94/733473694.db2.gz DHPSATFTAVLWMV-JTQLQIEISA-N 1 2 351.453 2.565 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccc(SC(C)C)cc1 ZINC000884124024 733483208 /nfs/dbraw/zinc/48/32/08/733483208.db2.gz LIFXZJYUNVNDOB-CJNGLKHVSA-N 1 2 350.484 2.811 20 30 FFEDLO C[NH+](C)[C@H](C(=O)N1CCC2(CC1)CC(=O)C=CO2)c1ccc(Cl)cc1 ZINC000887769666 733973660 /nfs/dbraw/zinc/97/36/60/733973660.db2.gz QOSAGPDQRXUVBA-KRWDZBQOSA-N 1 2 362.857 2.807 20 30 FFEDLO CC(C)CCNC(=S)N[NH+]=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000727257193 734474146 /nfs/dbraw/zinc/47/41/46/734474146.db2.gz WDLAGXBXAFVIMT-UHFFFAOYSA-N 1 2 352.479 2.506 20 30 FFEDLO CC1(C)COCC[N@@H+]1CCNC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000728229807 734520512 /nfs/dbraw/zinc/52/05/12/734520512.db2.gz SALIQRCETSOBHV-UHFFFAOYSA-N 1 2 352.891 2.609 20 30 FFEDLO CC1(C)COCC[N@H+]1CCNC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000728229807 734520516 /nfs/dbraw/zinc/52/05/16/734520516.db2.gz SALIQRCETSOBHV-UHFFFAOYSA-N 1 2 352.891 2.609 20 30 FFEDLO CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1cc(Br)cc(F)c1O ZINC000783864620 738843618 /nfs/dbraw/zinc/84/36/18/738843618.db2.gz WITUFZLNSWYDFN-STQMWFEESA-N 1 2 369.238 2.878 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000734835753 734917019 /nfs/dbraw/zinc/91/70/19/734917019.db2.gz KPXHRUXGDQOOQH-INIZCTEOSA-N 1 2 364.921 2.666 20 30 FFEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](CC)C[C@H]2CCOC2)c1=S ZINC000738081513 735020798 /nfs/dbraw/zinc/02/07/98/735020798.db2.gz LKXYGSYWUYZVGW-OAHLLOKOSA-N 1 2 359.499 2.978 20 30 FFEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](CC)C[C@H]2CCOC2)c1=S ZINC000738081513 735020801 /nfs/dbraw/zinc/02/08/01/735020801.db2.gz LKXYGSYWUYZVGW-OAHLLOKOSA-N 1 2 359.499 2.978 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3cc(C#N)cnc3Cl)C2)nc1 ZINC000896651479 735178163 /nfs/dbraw/zinc/17/81/63/735178163.db2.gz TZPBDPFAJAZYGH-MRXNPFEDSA-N 1 2 352.829 2.950 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CCC[N@H+](Cc3cc(C#N)cnc3Cl)C2)nc1 ZINC000896651479 735178164 /nfs/dbraw/zinc/17/81/64/735178164.db2.gz TZPBDPFAJAZYGH-MRXNPFEDSA-N 1 2 352.829 2.950 20 30 FFEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000928642719 738888068 /nfs/dbraw/zinc/88/80/68/738888068.db2.gz PPEOYUTURZVCOW-LBPRGKRZSA-N 1 2 356.253 2.706 20 30 FFEDLO CCOC(=O)[C@H]1CCC(=NNCCCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC000901262473 735761850 /nfs/dbraw/zinc/76/18/50/735761850.db2.gz YWFNFCZUSJKRPV-UONOGXRCSA-N 1 2 360.380 2.761 20 30 FFEDLO CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1cc(Br)c(F)cc1O ZINC000753932997 736107527 /nfs/dbraw/zinc/10/75/27/736107527.db2.gz ALFXUKYPEMDKHV-BETUJISGSA-N 1 2 369.238 2.878 20 30 FFEDLO C=C(C)[C@H](NC(=O)/C=C(/C)C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000907461030 736631409 /nfs/dbraw/zinc/63/14/09/736631409.db2.gz LDFAOWKIUPQMOP-CPPNXCSESA-N 1 2 350.409 2.977 20 30 FFEDLO C#C[C@@H](NC(=O)/C=C(/C)C[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000908140597 736725431 /nfs/dbraw/zinc/72/54/31/736725431.db2.gz OLSLNZLULJIKTM-OJNOIJSXSA-N 1 2 350.821 2.548 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913453218 737408466 /nfs/dbraw/zinc/40/84/66/737408466.db2.gz KNWKRUCNTLMWAL-OAHLLOKOSA-N 1 2 351.435 2.591 20 30 FFEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](CC#N)C(F)(F)F)cn2c1 ZINC000928810461 738912548 /nfs/dbraw/zinc/91/25/48/738912548.db2.gz NPMATULGENQGJY-GFCCVEGCSA-N 1 2 356.373 2.837 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@@H+](C)Cc2csc(C(C)(C)O)n2)cc1 ZINC000930659478 739142901 /nfs/dbraw/zinc/14/29/01/739142901.db2.gz ZMFQKNNDPRQPOK-UHFFFAOYSA-N 1 2 357.479 2.812 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@H+](C)Cc2csc(C(C)(C)O)n2)cc1 ZINC000930659478 739142903 /nfs/dbraw/zinc/14/29/03/739142903.db2.gz ZMFQKNNDPRQPOK-UHFFFAOYSA-N 1 2 357.479 2.812 20 30 FFEDLO C[N@H+](Cc1cc(C#N)cs1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000933773744 739688603 /nfs/dbraw/zinc/68/86/03/739688603.db2.gz DKZIEJFOQAVALM-MRXNPFEDSA-N 1 2 356.407 2.765 20 30 FFEDLO C[N@@H+](Cc1cc(C#N)cs1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000933773744 739688606 /nfs/dbraw/zinc/68/86/06/739688606.db2.gz DKZIEJFOQAVALM-MRXNPFEDSA-N 1 2 356.407 2.765 20 30 FFEDLO N#CC1(NC(=O)C[NH+]2CCC(C(=O)c3ccccc3Cl)CC2)CCC1 ZINC000934418015 739785577 /nfs/dbraw/zinc/78/55/77/739785577.db2.gz KNZVRCHUGOJNMT-UHFFFAOYSA-N 1 2 359.857 2.797 20 30 FFEDLO C#C[C@H]([NH2+]Cc1ccc(C(=O)OC)cc1Br)[C@@H]1CCCO1 ZINC000793591951 739797024 /nfs/dbraw/zinc/79/70/24/739797024.db2.gz STFSOZILUSQWIV-GJZGRUSLSA-N 1 2 352.228 2.506 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](Cc2sc(C)nc2C)C1 ZINC000950343561 740399373 /nfs/dbraw/zinc/39/93/73/740399373.db2.gz SKCLOMIPJVMFKN-SJORKVTESA-N 1 2 363.527 2.774 20 30 FFEDLO C#CC[N@@H+](C[C@H](C)c1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000800355917 740515964 /nfs/dbraw/zinc/51/59/64/740515964.db2.gz PDAOOQNCYICIPQ-BBRMVZONSA-N 1 2 359.413 2.931 20 30 FFEDLO C#CC[N@H+](C[C@H](C)c1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000800355917 740515969 /nfs/dbraw/zinc/51/59/69/740515969.db2.gz PDAOOQNCYICIPQ-BBRMVZONSA-N 1 2 359.413 2.931 20 30 FFEDLO CC1=C(C(=O)C=Cc2c[nH+]c3ccc(Cl)cn23)[C@@H](C)N2NN=NC2=N1 ZINC000806559600 741069081 /nfs/dbraw/zinc/06/90/81/741069081.db2.gz CGIQISCOEBCYNU-UMCURTJPSA-N 1 2 355.789 2.790 20 30 FFEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)nn1 ZINC000818347600 742265673 /nfs/dbraw/zinc/26/56/73/742265673.db2.gz SLPWKTALAXLWFN-VIFPVBQESA-N 1 2 355.211 2.922 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](CC#Cc3cccc(Cl)c3)C2)O1 ZINC001008590863 742386171 /nfs/dbraw/zinc/38/61/71/742386171.db2.gz LIFFAXHNSYCJOJ-ATZDWAIDSA-N 1 2 360.885 2.840 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3cccc(Cl)c3)C2)O1 ZINC001008590863 742386175 /nfs/dbraw/zinc/38/61/75/742386175.db2.gz LIFFAXHNSYCJOJ-ATZDWAIDSA-N 1 2 360.885 2.840 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)O1 ZINC001008594069 742387033 /nfs/dbraw/zinc/38/70/33/742387033.db2.gz AQGWXRNCBCBQAK-ATZDWAIDSA-N 1 2 360.885 2.840 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)O1 ZINC001008594069 742387039 /nfs/dbraw/zinc/38/70/39/742387039.db2.gz AQGWXRNCBCBQAK-ATZDWAIDSA-N 1 2 360.885 2.840 20 30 FFEDLO C=C(Cl)CSc1nc(C)c(CC(=O)NCCc2c[nH+]cn2C)s1 ZINC000819487482 742397048 /nfs/dbraw/zinc/39/70/48/742397048.db2.gz NNJSWEWTEUUOIP-UHFFFAOYSA-N 1 2 370.931 2.931 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001014460183 742467661 /nfs/dbraw/zinc/46/76/61/742467661.db2.gz MNJQYEMSNIPRAR-NUJGCVRESA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC001014460183 742467665 /nfs/dbraw/zinc/46/76/65/742467665.db2.gz MNJQYEMSNIPRAR-NUJGCVRESA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001014470209 742467978 /nfs/dbraw/zinc/46/79/78/742467978.db2.gz NSPIHEWQAQMMIA-INMHGKMJSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC001014470209 742467981 /nfs/dbraw/zinc/46/79/81/742467981.db2.gz NSPIHEWQAQMMIA-INMHGKMJSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001023599155 742712914 /nfs/dbraw/zinc/71/29/14/742712914.db2.gz BPICJSGITLEOTL-CFVMTHIKSA-N 1 2 369.918 2.716 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001023599155 742712917 /nfs/dbraw/zinc/71/29/17/742712917.db2.gz BPICJSGITLEOTL-CFVMTHIKSA-N 1 2 369.918 2.716 20 30 FFEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1CC ZINC001024565539 742730352 /nfs/dbraw/zinc/73/03/52/742730352.db2.gz JBBKNGVNOWONSS-KFWWJZLASA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1CC ZINC001024565539 742730354 /nfs/dbraw/zinc/73/03/54/742730354.db2.gz JBBKNGVNOWONSS-KFWWJZLASA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001027612299 742776185 /nfs/dbraw/zinc/77/61/85/742776185.db2.gz GTCSMYZQOMSGMS-JYJNAYRXSA-N 1 2 371.319 2.799 20 30 FFEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001027612299 742776188 /nfs/dbraw/zinc/77/61/88/742776188.db2.gz GTCSMYZQOMSGMS-JYJNAYRXSA-N 1 2 371.319 2.799 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(Cl)c(OC)c1 ZINC001038714465 742978746 /nfs/dbraw/zinc/97/87/46/742978746.db2.gz PSWINEHAVYIZMS-UXLLHSPISA-N 1 2 364.873 2.630 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)c(OC)c1 ZINC001038714465 742978749 /nfs/dbraw/zinc/97/87/49/742978749.db2.gz PSWINEHAVYIZMS-UXLLHSPISA-N 1 2 364.873 2.630 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@]2(C)CC[N@H+](CC#Cc3ccccc3Cl)C2)O1 ZINC001046633961 743334166 /nfs/dbraw/zinc/33/41/66/743334166.db2.gz BISBPCIIEMAABP-XFQXTVEOSA-N 1 2 360.885 2.840 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@]2(C)CC[N@@H+](CC#Cc3ccccc3Cl)C2)O1 ZINC001046633961 743334175 /nfs/dbraw/zinc/33/41/75/743334175.db2.gz BISBPCIIEMAABP-XFQXTVEOSA-N 1 2 360.885 2.840 20 30 FFEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F)O2 ZINC001053618052 744992493 /nfs/dbraw/zinc/99/24/93/744992493.db2.gz NMPXZQOJHNLEBM-RBSFLKMASA-N 1 2 358.404 2.667 20 30 FFEDLO CC(=NNC1=[NH+]CCN1)c1cnn(-c2ccc(Cl)cc2Cl)c1C ZINC000841660451 747425486 /nfs/dbraw/zinc/42/54/86/747425486.db2.gz YGDZBTVMAVHDFN-UHFFFAOYSA-N 1 2 351.241 2.760 20 30 FFEDLO Cc1nc(NC(=O)[C@H](C)[N@H+](C)C[C@H](O)c2cccc(C#N)c2)sc1C ZINC000844365488 748013983 /nfs/dbraw/zinc/01/39/83/748013983.db2.gz GIVWFMFPVVWMBC-LRDDRELGSA-N 1 2 358.467 2.624 20 30 FFEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)sc1C ZINC000844365488 748013991 /nfs/dbraw/zinc/01/39/91/748013991.db2.gz GIVWFMFPVVWMBC-LRDDRELGSA-N 1 2 358.467 2.624 20 30 FFEDLO CSc1cccc(NC(=O)C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000844369459 748014914 /nfs/dbraw/zinc/01/49/14/748014914.db2.gz XPAOYKKGEWZNMS-SFHVURJKSA-N 1 2 355.463 2.884 20 30 FFEDLO CSc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000844369459 748014921 /nfs/dbraw/zinc/01/49/21/748014921.db2.gz XPAOYKKGEWZNMS-SFHVURJKSA-N 1 2 355.463 2.884 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(-c3ccccc3Cl)nc2)CC1 ZINC000845361221 748240121 /nfs/dbraw/zinc/24/01/21/748240121.db2.gz JRWDTRNXOMABTL-UHFFFAOYSA-N 1 2 354.841 2.578 20 30 FFEDLO COc1cccc(S(C)(=O)=O)c1N=NC1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848408375 748919472 /nfs/dbraw/zinc/91/94/72/748919472.db2.gz LGCOWVBCMRTRFU-AWEZNQCLSA-N 1 2 351.472 2.515 20 30 FFEDLO COc1cccc(S(C)(=O)=O)c1N=NC1CCC[N@H+]2CCCC[C@@H]12 ZINC000848408375 748919476 /nfs/dbraw/zinc/91/94/76/748919476.db2.gz LGCOWVBCMRTRFU-AWEZNQCLSA-N 1 2 351.472 2.515 20 30 FFEDLO C#C[C@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3ccc(F)cc3Cl)C2=O)C1 ZINC000848493226 748940807 /nfs/dbraw/zinc/94/08/07/748940807.db2.gz KNOXJKZSDOPFPG-KPZWWZAWSA-N 1 2 363.820 2.549 20 30 FFEDLO C#C[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3ccc(F)cc3Cl)C2=O)C1 ZINC000848493226 748940811 /nfs/dbraw/zinc/94/08/11/748940811.db2.gz KNOXJKZSDOPFPG-KPZWWZAWSA-N 1 2 363.820 2.549 20 30 FFEDLO COC(=O)c1ccc(-c2nc(CO[NH+]=C(N)Cc3cccnc3)co2)cc1 ZINC000181719123 970954360 /nfs/dbraw/zinc/95/43/60/970954360.db2.gz CMLHGNCFXVNEGZ-UHFFFAOYSA-N 1 2 366.377 2.555 20 30 FFEDLO NC(=NOCc1ccc(F)c(F)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181851728 970966968 /nfs/dbraw/zinc/96/69/68/970966968.db2.gz UHXOIPYIVZJNPJ-SFHVURJKSA-N 1 2 361.392 2.655 20 30 FFEDLO NC(=NOCc1ccc(F)c(F)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181851728 970966975 /nfs/dbraw/zinc/96/69/75/970966975.db2.gz UHXOIPYIVZJNPJ-SFHVURJKSA-N 1 2 361.392 2.655 20 30 FFEDLO CC(C)C[C@H](CNc1ncc(C#N)cc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001105000992 971329604 /nfs/dbraw/zinc/32/96/04/971329604.db2.gz ALNALFDOUPXBIH-RBSFLKMASA-N 1 2 370.432 2.562 20 30 FFEDLO CC(C)C[C@H](CNc1ncc(C#N)cc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001105000992 971329613 /nfs/dbraw/zinc/32/96/13/971329613.db2.gz ALNALFDOUPXBIH-RBSFLKMASA-N 1 2 370.432 2.562 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(F)cc(F)c2)c1 ZINC001095282284 1013077382 /nfs/dbraw/zinc/07/73/82/1013077382.db2.gz TVFJFUMJUVUHKV-RYRKJORJSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(F)cc(F)c2)c1 ZINC001095282284 1013077399 /nfs/dbraw/zinc/07/73/99/1013077399.db2.gz TVFJFUMJUVUHKV-RYRKJORJSA-N 1 2 356.376 2.700 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC000974520346 971963098 /nfs/dbraw/zinc/96/30/98/971963098.db2.gz KRCZSYBNJMEOHK-NVXWUHKLSA-N 1 2 366.465 2.610 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cn2)C1 ZINC001008792882 972320613 /nfs/dbraw/zinc/32/06/13/972320613.db2.gz GSAZRGCEBXEMPU-QYZOEREBSA-N 1 2 361.461 2.673 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001008792882 972320621 /nfs/dbraw/zinc/32/06/21/972320621.db2.gz GSAZRGCEBXEMPU-QYZOEREBSA-N 1 2 361.461 2.673 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cc(F)ccc2F)C1 ZINC000969684749 959756089 /nfs/dbraw/zinc/75/60/89/959756089.db2.gz NXKWQWSFILCGKQ-IRWQIABSSA-N 1 2 364.436 2.883 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1Cc1c(Br)ccc(C(F)(F)F)c1F ZINC001210123167 960704056 /nfs/dbraw/zinc/70/40/56/960704056.db2.gz ZUAHVRBBQHDNID-QMMMGPOBSA-N 1 2 366.156 2.904 20 30 FFEDLO N#CC[C@@H]1CCC[N@@H+](CN2C(=O)C[C@]3(CCc4cc(Cl)ccc43)C2=O)C1 ZINC000872624912 1013239397 /nfs/dbraw/zinc/23/93/97/1013239397.db2.gz YNOYBUUWHVGWLR-XOBRGWDASA-N 1 2 371.868 2.866 20 30 FFEDLO N#CC[C@@H]1CCC[N@H+](CN2C(=O)C[C@]3(CCc4cc(Cl)ccc43)C2=O)C1 ZINC000872624912 1013239403 /nfs/dbraw/zinc/23/94/03/1013239403.db2.gz YNOYBUUWHVGWLR-XOBRGWDASA-N 1 2 371.868 2.866 20 30 FFEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1c(Cl)cncc1Cl)CC2 ZINC001275969287 1013243552 /nfs/dbraw/zinc/24/35/52/1013243552.db2.gz GITMWMBZVOLCMZ-CYBMUJFWSA-N 1 2 352.265 2.740 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccncc1Br ZINC001276004836 1013273909 /nfs/dbraw/zinc/27/39/09/1013273909.db2.gz YAGWSXPLXVSZML-QGZVFWFLSA-N 1 2 364.287 2.987 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccncc1Br ZINC001276004836 1013273917 /nfs/dbraw/zinc/27/39/17/1013273917.db2.gz YAGWSXPLXVSZML-QGZVFWFLSA-N 1 2 364.287 2.987 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1n[nH]c2ccc(OC)cc12 ZINC001276067844 1013395797 /nfs/dbraw/zinc/39/57/97/1013395797.db2.gz RLCYMQJULOMFLG-HXUWFJFHSA-N 1 2 354.454 2.715 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1n[nH]c2ccc(OC)cc12 ZINC001276067844 1013395806 /nfs/dbraw/zinc/39/58/06/1013395806.db2.gz RLCYMQJULOMFLG-HXUWFJFHSA-N 1 2 354.454 2.715 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3cccc(C(F)(F)F)c3F)C2)OCC1=O ZINC001276074804 1013410996 /nfs/dbraw/zinc/41/09/96/1013410996.db2.gz OMDUKMWWHFZDAI-KRWDZBQOSA-N 1 2 372.362 2.834 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3cccc(C(F)(F)F)c3F)C2)OCC1=O ZINC001276074804 1013411006 /nfs/dbraw/zinc/41/10/06/1013411006.db2.gz OMDUKMWWHFZDAI-KRWDZBQOSA-N 1 2 372.362 2.834 20 30 FFEDLO N#Cc1ccccc1OCC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000157962538 964473866 /nfs/dbraw/zinc/47/38/66/964473866.db2.gz MSMLPEJSUHVVQC-PMACEKPBSA-N 1 2 352.434 2.762 20 30 FFEDLO N#Cc1ccccc1OCC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000157962538 964473870 /nfs/dbraw/zinc/47/38/70/964473870.db2.gz MSMLPEJSUHVVQC-PMACEKPBSA-N 1 2 352.434 2.762 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccoc3)[C@@H]2C1 ZINC001075722148 964567180 /nfs/dbraw/zinc/56/71/80/964567180.db2.gz HOKBTDJFPGERKB-QFBILLFUSA-N 1 2 353.397 2.566 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccoc3)[C@@H]2C1 ZINC001075722148 964567187 /nfs/dbraw/zinc/56/71/87/964567187.db2.gz HOKBTDJFPGERKB-QFBILLFUSA-N 1 2 353.397 2.566 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cccs2)C1 ZINC001087472003 965410056 /nfs/dbraw/zinc/41/00/56/965410056.db2.gz IGAWTQNBWAHPRQ-ROUUACIJSA-N 1 2 354.475 2.978 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cccs2)C1 ZINC001087472003 965410059 /nfs/dbraw/zinc/41/00/59/965410059.db2.gz IGAWTQNBWAHPRQ-ROUUACIJSA-N 1 2 354.475 2.978 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971985104 965866675 /nfs/dbraw/zinc/86/66/75/965866675.db2.gz MFBCZPKHBWZBRL-QRVBRYPASA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971985104 965866688 /nfs/dbraw/zinc/86/66/88/965866688.db2.gz MFBCZPKHBWZBRL-QRVBRYPASA-N 1 2 359.445 2.545 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CCCC(F)(F)F ZINC001279233531 966649249 /nfs/dbraw/zinc/64/92/49/966649249.db2.gz QIDJMJQJMSLTIA-CALCHBBNSA-N 1 2 353.388 2.786 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H]2COC[C@H](C1)N2CCCC(F)(F)F ZINC001279233531 966649254 /nfs/dbraw/zinc/64/92/54/966649254.db2.gz QIDJMJQJMSLTIA-CALCHBBNSA-N 1 2 353.388 2.786 20 30 FFEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000895066543 967349115 /nfs/dbraw/zinc/34/91/15/967349115.db2.gz UQEUBJIEWVRZAJ-UHFFFAOYSA-N 1 2 370.434 2.881 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cc(OC)no2)C1 ZINC001112157246 967430036 /nfs/dbraw/zinc/43/00/36/967430036.db2.gz YYMWDQZEDNUXAL-CHWSQXEVSA-N 1 2 361.364 2.518 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cncnc2C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087508463 967477961 /nfs/dbraw/zinc/47/79/61/967477961.db2.gz PMZGDQCCDDWLEJ-RBUKOAKNSA-N 1 2 367.428 2.579 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cncnc2C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087508463 967477970 /nfs/dbraw/zinc/47/79/70/967477970.db2.gz PMZGDQCCDDWLEJ-RBUKOAKNSA-N 1 2 367.428 2.579 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C)n(C)n2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087514435 967558343 /nfs/dbraw/zinc/55/83/43/967558343.db2.gz WHAREWOJEOWLCO-PKOBYXMFSA-N 1 2 369.444 2.522 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C)n(C)n2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087514435 967558350 /nfs/dbraw/zinc/55/83/50/967558350.db2.gz WHAREWOJEOWLCO-PKOBYXMFSA-N 1 2 369.444 2.522 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)c4cc(Cl)ccc4F)C3)C2)cc1C#N ZINC001270900611 967652133 /nfs/dbraw/zinc/65/21/33/967652133.db2.gz ATZMVNIKGXHAJU-UHFFFAOYSA-N 1 2 372.831 2.647 20 30 FFEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[C@@H]3c3ccccc3)C2)C1 ZINC000972560591 967786050 /nfs/dbraw/zinc/78/60/50/967786050.db2.gz CSKWQOAORVBTCI-MQSCRBSSSA-N 1 2 366.505 2.897 20 30 FFEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[C@@H]3c3ccccc3)C2)C1 ZINC000972560591 967786061 /nfs/dbraw/zinc/78/60/61/967786061.db2.gz CSKWQOAORVBTCI-MQSCRBSSSA-N 1 2 366.505 2.897 20 30 FFEDLO CC[C@@H]1C[C@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1cc(C#N)ccc1F)CCO2 ZINC000972564139 967806517 /nfs/dbraw/zinc/80/65/17/967806517.db2.gz HVEXZOSGKAQJHC-BLIXFSHQSA-N 1 2 371.456 2.547 20 30 FFEDLO CC[C@@H]1C[C@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1cc(C#N)ccc1F)CCO2 ZINC000972564139 967806527 /nfs/dbraw/zinc/80/65/27/967806527.db2.gz HVEXZOSGKAQJHC-BLIXFSHQSA-N 1 2 371.456 2.547 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1cc(C(C)(C)C)on1 ZINC001087534516 967847554 /nfs/dbraw/zinc/84/75/54/967847554.db2.gz ACHNTFBLUAHDPV-DOTOQJQBSA-N 1 2 369.469 2.955 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1cc(C(C)(C)C)on1 ZINC001087534516 967847563 /nfs/dbraw/zinc/84/75/63/967847563.db2.gz ACHNTFBLUAHDPV-DOTOQJQBSA-N 1 2 369.469 2.955 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3coc4ccc(Cl)cc43)[C@H]2C1 ZINC001083261333 967873496 /nfs/dbraw/zinc/87/34/96/967873496.db2.gz OVCWLUVBZXSGIE-FUHWJXTLSA-N 1 2 358.825 2.635 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3coc4ccc(Cl)cc43)[C@H]2C1 ZINC001083261333 967873508 /nfs/dbraw/zinc/87/35/08/967873508.db2.gz OVCWLUVBZXSGIE-FUHWJXTLSA-N 1 2 358.825 2.635 20 30 FFEDLO O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029396853 968131702 /nfs/dbraw/zinc/13/17/02/968131702.db2.gz NLZUEBGTSYFWJO-BIRZXAFVSA-N 1 2 364.489 2.528 20 30 FFEDLO O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029396853 968131704 /nfs/dbraw/zinc/13/17/04/968131704.db2.gz NLZUEBGTSYFWJO-BIRZXAFVSA-N 1 2 364.489 2.528 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C)nn2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087568594 968186560 /nfs/dbraw/zinc/18/65/60/968186560.db2.gz ACLYPDJFYPNTEZ-PKOBYXMFSA-N 1 2 367.428 2.579 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C)nn2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087568594 968186565 /nfs/dbraw/zinc/18/65/65/968186565.db2.gz ACLYPDJFYPNTEZ-PKOBYXMFSA-N 1 2 367.428 2.579 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccns2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001087590654 968274701 /nfs/dbraw/zinc/27/47/01/968274701.db2.gz QGQRMMXZLNOTHV-JKSUJKDBSA-N 1 2 358.442 2.937 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccns2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001087590654 968274712 /nfs/dbraw/zinc/27/47/12/968274712.db2.gz QGQRMMXZLNOTHV-JKSUJKDBSA-N 1 2 358.442 2.937 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@H]1CC ZINC001087663019 968525361 /nfs/dbraw/zinc/52/53/61/968525361.db2.gz NZGNPQJCUHJOKM-RFBLXINOSA-N 1 2 371.319 2.679 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@H]1CC ZINC001087663019 968525368 /nfs/dbraw/zinc/52/53/68/968525368.db2.gz NZGNPQJCUHJOKM-RFBLXINOSA-N 1 2 371.319 2.679 20 30 FFEDLO C[NH+](C)CCn1c(=O)oc2ccc(N=Cc3cc([N+](=O)[O-])ccc3O)cc21 ZINC000255659941 968570915 /nfs/dbraw/zinc/57/09/15/968570915.db2.gz LSDBPJRQYRSYKC-UHFFFAOYSA-N 1 2 370.365 2.521 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC=C(Cl)Cl)[C@@H]2CC)c1 ZINC001087718991 968718946 /nfs/dbraw/zinc/71/89/46/968718946.db2.gz UPYIANNFJGYCAJ-LSDHHAIUSA-N 1 2 352.265 2.965 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC=C(Cl)Cl)[C@@H]2CC)c1 ZINC001087718991 968718950 /nfs/dbraw/zinc/71/89/50/968718950.db2.gz UPYIANNFJGYCAJ-LSDHHAIUSA-N 1 2 352.265 2.965 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C(C)C)n3)[C@@H]2CC)c1 ZINC001087719077 968720333 /nfs/dbraw/zinc/72/03/33/968720333.db2.gz YVFTZFLZTKGECT-VQTJNVASSA-N 1 2 365.481 2.623 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccn(C(C)C)n3)[C@@H]2CC)c1 ZINC001087719077 968720337 /nfs/dbraw/zinc/72/03/37/968720337.db2.gz YVFTZFLZTKGECT-VQTJNVASSA-N 1 2 365.481 2.623 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001177014445 1013829489 /nfs/dbraw/zinc/82/94/89/1013829489.db2.gz YNASMWSBVDOAJN-AUUYWEPGSA-N 1 2 353.397 2.638 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cscn2)[C@@H]1CC ZINC001087755759 968887133 /nfs/dbraw/zinc/88/71/33/968887133.db2.gz FPSSMLDPLIZKPV-FJIDUMEYSA-N 1 2 363.527 2.984 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cscn2)[C@@H]1CC ZINC001087755759 968887142 /nfs/dbraw/zinc/88/71/42/968887142.db2.gz FPSSMLDPLIZKPV-FJIDUMEYSA-N 1 2 363.527 2.984 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nccs3)[C@@H]2CC)cc1 ZINC001087753527 968906257 /nfs/dbraw/zinc/90/62/57/968906257.db2.gz MPXABKVQGKVEMG-ZWKOTPCHSA-N 1 2 369.490 2.938 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nccs3)[C@@H]2CC)cc1 ZINC001087753527 968906263 /nfs/dbraw/zinc/90/62/63/968906263.db2.gz MPXABKVQGKVEMG-ZWKOTPCHSA-N 1 2 369.490 2.938 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2F)O1 ZINC001024659530 969240659 /nfs/dbraw/zinc/24/06/59/969240659.db2.gz DZUWSVJFEXFRQB-DKSSEZFCSA-N 1 2 359.445 2.736 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2F)O1 ZINC001024659530 969240668 /nfs/dbraw/zinc/24/06/68/969240668.db2.gz DZUWSVJFEXFRQB-DKSSEZFCSA-N 1 2 359.445 2.736 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nc(C)oc1C ZINC001024702607 969261361 /nfs/dbraw/zinc/26/13/61/969261361.db2.gz XNTFCDOXZYJEOV-LNLFQRSKSA-N 1 2 361.486 2.743 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1nc(C)oc1C ZINC001024702607 969261367 /nfs/dbraw/zinc/26/13/67/969261367.db2.gz XNTFCDOXZYJEOV-LNLFQRSKSA-N 1 2 361.486 2.743 20 30 FFEDLO CC(C)C(=O)N1CCC(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000329006722 970743896 /nfs/dbraw/zinc/74/38/96/970743896.db2.gz XXZVURGIGMKYPV-NVXWUHKLSA-N 1 2 358.486 2.757 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C/C(Cl)=C\Cl)CC[C@@H]2C1 ZINC001088113182 972866265 /nfs/dbraw/zinc/86/62/65/972866265.db2.gz SDBAWUZAOWDGKI-JHULGSBDSA-N 1 2 359.297 2.677 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C/C(Cl)=C\Cl)CC[C@@H]2C1 ZINC001088113182 972866270 /nfs/dbraw/zinc/86/62/70/972866270.db2.gz SDBAWUZAOWDGKI-JHULGSBDSA-N 1 2 359.297 2.677 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)[C@H](C)COC ZINC000661243901 973977954 /nfs/dbraw/zinc/97/79/54/973977954.db2.gz PIRKYQCCLVBXHM-OAHLLOKOSA-N 1 2 356.470 2.951 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)[C@H](C)COC ZINC000661243901 973977964 /nfs/dbraw/zinc/97/79/64/973977964.db2.gz PIRKYQCCLVBXHM-OAHLLOKOSA-N 1 2 356.470 2.951 20 30 FFEDLO C=C(C)C(=O)OCCNc1nc[nH+]c2c1CCN2Cc1ccc(OC)cc1 ZINC001168070026 974111355 /nfs/dbraw/zinc/11/13/55/974111355.db2.gz FHGUZTGOOSCBOI-UHFFFAOYSA-N 1 2 368.437 2.579 20 30 FFEDLO C=C(C)C(=O)OCCNc1cc(/C=N/[S@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001168071391 974138001 /nfs/dbraw/zinc/13/80/01/974138001.db2.gz YQKRYCYOGMBEJF-XFWAWQDHSA-N 1 2 351.472 2.802 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000977034619 974586635 /nfs/dbraw/zinc/58/66/35/974586635.db2.gz ZSBUTJULICRYMZ-IAGOWNOFSA-N 1 2 358.486 2.551 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649789452 1014224848 /nfs/dbraw/zinc/22/48/48/1014224848.db2.gz XYAXTIGTTCFOAD-UHFFFAOYSA-N 1 2 371.510 2.907 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2scnc2CC)C1 ZINC001087429607 975808335 /nfs/dbraw/zinc/80/83/35/975808335.db2.gz SMNXDSTVEFEDTF-SJLPKXTDSA-N 1 2 353.491 2.927 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2scnc2CC)C1 ZINC001087429607 975808346 /nfs/dbraw/zinc/80/83/46/975808346.db2.gz SMNXDSTVEFEDTF-SJLPKXTDSA-N 1 2 353.491 2.927 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3[nH]nc(C4CC4)c3Cl)[C@@H]2C1 ZINC001075989879 975953617 /nfs/dbraw/zinc/95/36/17/975953617.db2.gz DDSUEAGCEYIFES-NWDGAFQWSA-N 1 2 355.269 2.839 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3[nH]nc(C4CC4)c3Cl)[C@@H]2C1 ZINC001075989879 975953628 /nfs/dbraw/zinc/95/36/28/975953628.db2.gz DDSUEAGCEYIFES-NWDGAFQWSA-N 1 2 355.269 2.839 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981180735 976295384 /nfs/dbraw/zinc/29/53/84/976295384.db2.gz TVJGNTXQDXEXPX-SFTDATJTSA-N 1 2 354.494 2.634 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981180735 976295396 /nfs/dbraw/zinc/29/53/96/976295396.db2.gz TVJGNTXQDXEXPX-SFTDATJTSA-N 1 2 354.494 2.634 20 30 FFEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)CCC2CCOCC2)c1=S ZINC000163101003 976840015 /nfs/dbraw/zinc/84/00/15/976840015.db2.gz SEEXYAUOKFQMJZ-UHFFFAOYSA-N 1 2 374.514 2.763 20 30 FFEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)CCC2CCOCC2)c1=S ZINC000163101003 976840025 /nfs/dbraw/zinc/84/00/25/976840025.db2.gz SEEXYAUOKFQMJZ-UHFFFAOYSA-N 1 2 374.514 2.763 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2cnoc2)C1 ZINC001087435222 976959826 /nfs/dbraw/zinc/95/98/26/976959826.db2.gz DXCMJPMMZJJDEY-QZTJIDSGSA-N 1 2 359.857 2.944 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2cnoc2)C1 ZINC001087435222 976959836 /nfs/dbraw/zinc/95/98/36/976959836.db2.gz DXCMJPMMZJJDEY-QZTJIDSGSA-N 1 2 359.857 2.944 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3csc(Br)c3)C[C@H]21 ZINC001075616423 977324442 /nfs/dbraw/zinc/32/44/42/977324442.db2.gz SEYMCIPJAOKTDG-KGYLQXTDSA-N 1 2 368.300 2.703 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3csc(Br)c3)C[C@H]21 ZINC001075616423 977324446 /nfs/dbraw/zinc/32/44/46/977324446.db2.gz SEYMCIPJAOKTDG-KGYLQXTDSA-N 1 2 368.300 2.703 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2c(C)onc2CC)C1 ZINC001087442861 977566419 /nfs/dbraw/zinc/56/64/19/977566419.db2.gz FUCBUFYOMGNBGM-IEBWSBKVSA-N 1 2 351.450 2.767 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2c(C)onc2CC)C1 ZINC001087442861 977566423 /nfs/dbraw/zinc/56/64/23/977566423.db2.gz FUCBUFYOMGNBGM-IEBWSBKVSA-N 1 2 351.450 2.767 20 30 FFEDLO CCn1cc(CN(CCC#N)CC[NH+]2CCOCC2)c(-c2ccccc2)n1 ZINC000893863564 977571809 /nfs/dbraw/zinc/57/18/09/977571809.db2.gz IWWQLDKPKHMDRX-UHFFFAOYSA-N 1 2 367.497 2.618 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CCC1CCCC1 ZINC001211800349 977916268 /nfs/dbraw/zinc/91/62/68/977916268.db2.gz QVMZQCLKKILYDZ-WOJBJXKFSA-N 1 2 355.482 2.844 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CCC1CCCC1 ZINC001211800349 977916277 /nfs/dbraw/zinc/91/62/77/977916277.db2.gz QVMZQCLKKILYDZ-WOJBJXKFSA-N 1 2 355.482 2.844 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cnoc2C2CC2)C1 ZINC001087459645 977979573 /nfs/dbraw/zinc/97/95/73/977979573.db2.gz PETLWLSPDOWVRR-IEBWSBKVSA-N 1 2 367.424 2.912 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cnoc2C2CC2)C1 ZINC001087459645 977979579 /nfs/dbraw/zinc/97/95/79/977979579.db2.gz PETLWLSPDOWVRR-IEBWSBKVSA-N 1 2 367.424 2.912 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCOC3)[C@@H]2C1 ZINC001075670186 978219768 /nfs/dbraw/zinc/21/97/68/978219768.db2.gz RXIPPKLPORITAN-OXFYSEKESA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCOC3)[C@@H]2C1 ZINC001075670186 978219770 /nfs/dbraw/zinc/21/97/70/978219770.db2.gz RXIPPKLPORITAN-OXFYSEKESA-N 1 2 371.456 2.547 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](OC)c3cccc(OC)c3)[C@@H]2C1 ZINC001076093452 979106697 /nfs/dbraw/zinc/10/66/97/979106697.db2.gz ZCPDPEPCWRWUMZ-CGTJXYLNSA-N 1 2 364.873 2.668 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](OC)c3cccc(OC)c3)[C@@H]2C1 ZINC001076093452 979106700 /nfs/dbraw/zinc/10/67/00/979106700.db2.gz ZCPDPEPCWRWUMZ-CGTJXYLNSA-N 1 2 364.873 2.668 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC3CCOCC3)[C@@H]2C1 ZINC001076321164 979375341 /nfs/dbraw/zinc/37/53/41/979375341.db2.gz UAWAYUNEBVYGJR-JKSUJKDBSA-N 1 2 371.319 2.635 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CCC3CCOCC3)[C@@H]2C1 ZINC001076321164 979375345 /nfs/dbraw/zinc/37/53/45/979375345.db2.gz UAWAYUNEBVYGJR-JKSUJKDBSA-N 1 2 371.319 2.635 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cccc4)nc3)[C@@H]2C1 ZINC001076370197 979430237 /nfs/dbraw/zinc/43/02/37/979430237.db2.gz JIJGQCJUTIYQKE-DLBZAZTESA-N 1 2 356.857 2.771 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cccc4)nc3)[C@@H]2C1 ZINC001076370197 979430242 /nfs/dbraw/zinc/43/02/42/979430242.db2.gz JIJGQCJUTIYQKE-DLBZAZTESA-N 1 2 356.857 2.771 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3nocc3C)C[C@H]21)c1ccccc1 ZINC001076599568 979701808 /nfs/dbraw/zinc/70/18/08/979701808.db2.gz VMIXITFLIPOGPV-NLWGTHIKSA-N 1 2 351.450 2.986 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3nocc3C)C[C@H]21)c1ccccc1 ZINC001076599568 979701814 /nfs/dbraw/zinc/70/18/14/979701814.db2.gz VMIXITFLIPOGPV-NLWGTHIKSA-N 1 2 351.450 2.986 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC000968864378 1014598715 /nfs/dbraw/zinc/59/87/15/1014598715.db2.gz UWJFHLWNLAQYLU-DSKINZAPSA-N 1 2 371.456 2.595 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC000968864378 1014598719 /nfs/dbraw/zinc/59/87/19/1014598719.db2.gz UWJFHLWNLAQYLU-DSKINZAPSA-N 1 2 371.456 2.595 20 30 FFEDLO N#CCN1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001029918352 979801509 /nfs/dbraw/zinc/80/15/09/979801509.db2.gz CSZFKYFPILUVJN-GUDVDZBRSA-N 1 2 363.465 2.530 20 30 FFEDLO N#CCN1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001029918352 979801518 /nfs/dbraw/zinc/80/15/18/979801518.db2.gz CSZFKYFPILUVJN-GUDVDZBRSA-N 1 2 363.465 2.530 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001059699921 979820230 /nfs/dbraw/zinc/82/02/30/979820230.db2.gz HOFMIINVKKAXNZ-KBAYOESNSA-N 1 2 370.497 2.636 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001059699921 979820235 /nfs/dbraw/zinc/82/02/35/979820235.db2.gz HOFMIINVKKAXNZ-KBAYOESNSA-N 1 2 370.497 2.636 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccnc(F)c2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088489213 979877779 /nfs/dbraw/zinc/87/77/79/979877779.db2.gz MWZLIWYJURIOGK-PXAZEXFGSA-N 1 2 356.376 2.624 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccnc(F)c2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088489213 979877786 /nfs/dbraw/zinc/87/77/86/979877786.db2.gz MWZLIWYJURIOGK-PXAZEXFGSA-N 1 2 356.376 2.624 20 30 FFEDLO CCc1ocnc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088499756 980088481 /nfs/dbraw/zinc/08/84/81/980088481.db2.gz RZNKMPHOVVYVNX-WBMJQRKESA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1ocnc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088499756 980088485 /nfs/dbraw/zinc/08/84/85/980088485.db2.gz RZNKMPHOVVYVNX-WBMJQRKESA-N 1 2 356.401 2.641 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cncc(F)c2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088520559 980413513 /nfs/dbraw/zinc/41/35/13/980413513.db2.gz ULYKCMDYLHLVMX-XIKOKIGWSA-N 1 2 356.376 2.624 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cncc(F)c2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088520559 980413515 /nfs/dbraw/zinc/41/35/15/980413515.db2.gz ULYKCMDYLHLVMX-XIKOKIGWSA-N 1 2 356.376 2.624 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCCCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000987150910 980533882 /nfs/dbraw/zinc/53/38/82/980533882.db2.gz GHESZSPLXKQCMX-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCCCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000987150910 980533886 /nfs/dbraw/zinc/53/38/86/980533886.db2.gz GHESZSPLXKQCMX-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(NC(=O)c3cccc(C)c3)CC2)nn1 ZINC000877694290 1014688209 /nfs/dbraw/zinc/68/82/09/1014688209.db2.gz IABUFXBUTJXSJO-UHFFFAOYSA-N 1 2 353.470 2.557 20 30 FFEDLO C=C1CCC(C(=O)N(C)C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000988101301 980994693 /nfs/dbraw/zinc/99/46/93/980994693.db2.gz TVFYTNPODIPPJO-KBAYOESNSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C1CCC(C(=O)N(C)C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000988101301 980994699 /nfs/dbraw/zinc/99/46/99/980994699.db2.gz TVFYTNPODIPPJO-KBAYOESNSA-N 1 2 370.497 2.567 20 30 FFEDLO COc1ccc(C[C@H]([NH3+])c2nc(-c3cc(C#N)ccc3F)no2)c(O)c1 ZINC001211951618 981242120 /nfs/dbraw/zinc/24/21/20/981242120.db2.gz IETXCKSRDUVRSX-HNNXBMFYSA-N 1 2 354.341 2.704 20 30 FFEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000668609676 981265625 /nfs/dbraw/zinc/26/56/25/981265625.db2.gz DMBIWCUZTNMYEV-FUHWJXTLSA-N 1 2 366.465 2.740 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001075904858 981270433 /nfs/dbraw/zinc/27/04/33/981270433.db2.gz PWUZKACGFRPFJX-NVRFMJDISA-N 1 2 371.456 2.545 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001075904858 981270437 /nfs/dbraw/zinc/27/04/37/981270437.db2.gz PWUZKACGFRPFJX-NVRFMJDISA-N 1 2 371.456 2.545 20 30 FFEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000908155232 981363530 /nfs/dbraw/zinc/36/35/30/981363530.db2.gz HGCOYBKKFMIRCU-VCHYOVAHSA-N 1 2 360.502 2.647 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)/C=C\C(C)(C)C ZINC001212047190 981475777 /nfs/dbraw/zinc/47/57/77/981475777.db2.gz CSGDNMKSSXZBPG-BTFXCVNISA-N 1 2 359.445 2.615 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)/C=C\C(C)(C)C ZINC001212047190 981475779 /nfs/dbraw/zinc/47/57/79/981475779.db2.gz CSGDNMKSSXZBPG-BTFXCVNISA-N 1 2 359.445 2.615 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[NH+]1CCN(c2ccccc2O)CC1)c1ccccc1 ZINC000877948225 1014781508 /nfs/dbraw/zinc/78/15/08/1014781508.db2.gz PKGUHQYZMDZKCE-QFIPXVFZSA-N 1 2 363.461 2.955 20 30 FFEDLO Cc1noc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)c1C ZINC001088648362 982145914 /nfs/dbraw/zinc/14/59/14/982145914.db2.gz FTZZWWJRYBNHEK-DYVFJYSZSA-N 1 2 356.401 2.695 20 30 FFEDLO Cc1noc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)c1C ZINC001088648362 982145922 /nfs/dbraw/zinc/14/59/22/982145922.db2.gz FTZZWWJRYBNHEK-DYVFJYSZSA-N 1 2 356.401 2.695 20 30 FFEDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccnn3C)C2)cc1OCCCC#N ZINC000897558035 982247007 /nfs/dbraw/zinc/24/70/07/982247007.db2.gz DOGBRFFEONKJGD-HXUWFJFHSA-N 1 2 370.453 2.685 20 30 FFEDLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccnn3C)C2)cc1OCCCC#N ZINC000897558035 982247016 /nfs/dbraw/zinc/24/70/16/982247016.db2.gz DOGBRFFEONKJGD-HXUWFJFHSA-N 1 2 370.453 2.685 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(OC)no3)[C@@H]2C)cc1 ZINC001088672006 982265940 /nfs/dbraw/zinc/26/59/40/982265940.db2.gz JAHDMMHKBLVFQQ-KDOFPFPSSA-N 1 2 371.437 2.641 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(OC)no3)[C@@H]2C)cc1 ZINC001088672006 982265944 /nfs/dbraw/zinc/26/59/44/982265944.db2.gz JAHDMMHKBLVFQQ-KDOFPFPSSA-N 1 2 371.437 2.641 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2cccnc2)[C@H]1C ZINC001088686827 982338438 /nfs/dbraw/zinc/33/84/38/982338438.db2.gz IVJXPZDLCCQDRG-HIFRSBDPSA-N 1 2 366.303 2.847 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2cccnc2)[C@H]1C ZINC001088686827 982338445 /nfs/dbraw/zinc/33/84/45/982338445.db2.gz IVJXPZDLCCQDRG-HIFRSBDPSA-N 1 2 366.303 2.847 20 30 FFEDLO CCC(=CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC)CC ZINC001212109340 982723522 /nfs/dbraw/zinc/72/35/22/982723522.db2.gz IMZMPCYGMLVPFF-RTBURBONSA-N 1 2 359.445 2.759 20 30 FFEDLO CCC(=CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC)CC ZINC001212109340 982723525 /nfs/dbraw/zinc/72/35/25/982723525.db2.gz IMZMPCYGMLVPFF-RTBURBONSA-N 1 2 359.445 2.759 20 30 FFEDLO CC(C)OCc1ccccc1CNC(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000151213890 984216769 /nfs/dbraw/zinc/21/67/69/984216769.db2.gz UNKUPQHCVRJSJC-UHFFFAOYSA-N 1 2 369.465 2.759 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@@H](CCNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001060328661 984739743 /nfs/dbraw/zinc/73/97/43/984739743.db2.gz HGCKDUKOYGGAON-KBAYOESNSA-N 1 2 370.497 2.614 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@@H](CCNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001060328661 984739749 /nfs/dbraw/zinc/73/97/49/984739749.db2.gz HGCKDUKOYGGAON-KBAYOESNSA-N 1 2 370.497 2.614 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ocnc2C2CC2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088856609 985040660 /nfs/dbraw/zinc/04/06/60/985040660.db2.gz XOGVCRINOJUXRX-DYVFJYSZSA-N 1 2 350.422 2.816 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ocnc2C2CC2)CC[N@H+]1Cc1ccccc1C#N ZINC001088856609 985040670 /nfs/dbraw/zinc/04/06/70/985040670.db2.gz XOGVCRINOJUXRX-DYVFJYSZSA-N 1 2 350.422 2.816 20 30 FFEDLO CCOC(=O)c1c(C)oc(Nc2ccc[nH+]c2N2CCOCC2)c1C#N ZINC001212354348 985519044 /nfs/dbraw/zinc/51/90/44/985519044.db2.gz PZYAZCUYNPKXGA-UHFFFAOYSA-N 1 2 356.382 2.612 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(Cl)nc3)[C@@H]2C)nc1 ZINC001088987943 985770888 /nfs/dbraw/zinc/77/08/88/985770888.db2.gz XOTSTOWBTSLDKY-CJNGLKHVSA-N 1 2 354.841 2.504 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(Cl)nc3)[C@@H]2C)nc1 ZINC001088987943 985770894 /nfs/dbraw/zinc/77/08/94/985770894.db2.gz XOTSTOWBTSLDKY-CJNGLKHVSA-N 1 2 354.841 2.504 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001007359602 1015193975 /nfs/dbraw/zinc/19/39/75/1015193975.db2.gz FUBFEQJWUQLNLY-GGPKGHCWSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001007359602 1015193982 /nfs/dbraw/zinc/19/39/82/1015193982.db2.gz FUBFEQJWUQLNLY-GGPKGHCWSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1ncc(C3CC3)o1)CC2 ZINC000992174359 986491406 /nfs/dbraw/zinc/49/14/06/986491406.db2.gz DKEZKZRROVWFHQ-VWFIUDSGSA-N 1 2 371.481 2.756 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1ncc(C3CC3)o1)CC2 ZINC000992174359 986491409 /nfs/dbraw/zinc/49/14/09/986491409.db2.gz DKEZKZRROVWFHQ-VWFIUDSGSA-N 1 2 371.481 2.756 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ncc(C)o1 ZINC001089181357 986510871 /nfs/dbraw/zinc/51/08/71/986510871.db2.gz OOWBCDXFKMTFNT-KSZLIROESA-N 1 2 361.486 2.777 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ncc(C)o1 ZINC001089181357 986510877 /nfs/dbraw/zinc/51/08/77/986510877.db2.gz OOWBCDXFKMTFNT-KSZLIROESA-N 1 2 361.486 2.777 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1nocc1C ZINC001089181769 986513097 /nfs/dbraw/zinc/51/30/97/986513097.db2.gz ZCJRWUXBLFHKIX-SCTDSRPQSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1nocc1C ZINC001089181769 986513106 /nfs/dbraw/zinc/51/31/06/986513106.db2.gz ZCJRWUXBLFHKIX-SCTDSRPQSA-N 1 2 361.486 2.777 20 30 FFEDLO N#C[C@@]1(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC2CCC1CC2 ZINC000913713610 986854233 /nfs/dbraw/zinc/85/42/33/986854233.db2.gz DLSMFPFDXNHDQH-LAGYLCCXSA-N 1 2 370.522 2.971 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001108022182 986854918 /nfs/dbraw/zinc/85/49/18/986854918.db2.gz DHGHLPHVDLIJIQ-SJBKTWHCSA-N 1 2 354.494 2.801 20 30 FFEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001108022182 986854927 /nfs/dbraw/zinc/85/49/27/986854927.db2.gz DHGHLPHVDLIJIQ-SJBKTWHCSA-N 1 2 354.494 2.801 20 30 FFEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)Cc2c(C)cc(C#N)cc2C)c1C ZINC000914020306 987116216 /nfs/dbraw/zinc/11/62/16/987116216.db2.gz XLLIWPTUGCONGL-UHFFFAOYSA-N 1 2 373.478 2.815 20 30 FFEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000761762956 987786072 /nfs/dbraw/zinc/78/60/72/987786072.db2.gz ORNXODHXUZTHAC-FQEVSTJZSA-N 1 2 360.417 2.832 20 30 FFEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000761762956 987786076 /nfs/dbraw/zinc/78/60/76/987786076.db2.gz ORNXODHXUZTHAC-FQEVSTJZSA-N 1 2 360.417 2.832 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cccc(C#CCO)c3)CC2)cc1 ZINC000915062689 988192304 /nfs/dbraw/zinc/19/23/04/988192304.db2.gz LSTVIYDIQVDXCZ-UHFFFAOYSA-N 1 2 362.473 2.551 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001007797093 1015378518 /nfs/dbraw/zinc/37/85/18/1015378518.db2.gz ZIARFQFVIOCFPA-BTYIYWSLSA-N 1 2 366.465 2.657 20 30 FFEDLO CC(C)OCc1ccc(CNC(=O)CO[NH+]=C(N)c2ccc(F)cc2)cc1 ZINC000762665032 988564807 /nfs/dbraw/zinc/56/48/07/988564807.db2.gz RANFPBCPIMQFPV-UHFFFAOYSA-N 1 2 373.428 2.704 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)c1 ZINC001007913393 1015419838 /nfs/dbraw/zinc/41/98/38/1015419838.db2.gz QGCHEMWQBWYUMJ-DSKINZAPSA-N 1 2 371.456 2.737 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)c1 ZINC001007913393 1015419840 /nfs/dbraw/zinc/41/98/40/1015419840.db2.gz QGCHEMWQBWYUMJ-DSKINZAPSA-N 1 2 371.456 2.737 20 30 FFEDLO N#Cc1ccc(CNC(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1F ZINC000922781627 988900154 /nfs/dbraw/zinc/90/01/54/988900154.db2.gz LIQPQXNZJNKGBR-UHFFFAOYSA-N 1 2 353.401 2.878 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001007944709 1015430062 /nfs/dbraw/zinc/43/00/62/1015430062.db2.gz BMXNEXBVDDLQNU-UWJYYQICSA-N 1 2 370.497 2.504 20 30 FFEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C2)nc1 ZINC001031278796 989160496 /nfs/dbraw/zinc/16/04/96/989160496.db2.gz YEZZMULWMVFRQE-HKUYNNGSSA-N 1 2 367.399 2.526 20 30 FFEDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccccc1F ZINC000763232885 989247662 /nfs/dbraw/zinc/24/76/62/989247662.db2.gz IMVGCAAPXMCHFC-MOPGFXCFSA-N 1 2 350.397 2.843 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008011030 1015461224 /nfs/dbraw/zinc/46/12/24/1015461224.db2.gz WVLOWWMLVVHMML-AQNXPRMDSA-N 1 2 358.457 2.573 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008011030 1015461228 /nfs/dbraw/zinc/46/12/28/1015461228.db2.gz WVLOWWMLVVHMML-AQNXPRMDSA-N 1 2 358.457 2.573 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ncc(CC)o2)C1 ZINC001034212435 989965541 /nfs/dbraw/zinc/96/55/41/989965541.db2.gz JUCVUTOUULANGY-NXHRZFHOSA-N 1 2 361.486 2.689 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ncc(CC)o2)C1 ZINC001034212435 989965548 /nfs/dbraw/zinc/96/55/48/989965548.db2.gz JUCVUTOUULANGY-NXHRZFHOSA-N 1 2 361.486 2.689 20 30 FFEDLO C=C(C)CCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001078975828 990180378 /nfs/dbraw/zinc/18/03/78/990180378.db2.gz MONUDUWLHSBZOA-BRWVUGGUSA-N 1 2 358.486 2.709 20 30 FFEDLO C=C(C)CCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001078975828 990180381 /nfs/dbraw/zinc/18/03/81/990180381.db2.gz MONUDUWLHSBZOA-BRWVUGGUSA-N 1 2 358.486 2.709 20 30 FFEDLO Cc1cc(C(N)=[NH+]OCC(=O)Nc2ccnn2C2CCCC2)ccc1F ZINC000154513310 990272226 /nfs/dbraw/zinc/27/22/26/990272226.db2.gz FRQLGRPGIORFMJ-UHFFFAOYSA-N 1 2 359.405 2.721 20 30 FFEDLO O=C(c1ccc(C#Cc2ccccc2)cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676340870 990550879 /nfs/dbraw/zinc/55/08/79/990550879.db2.gz LVNPXRNYBVGKGU-JOCHJYFZSA-N 1 2 360.457 2.633 20 30 FFEDLO C=C(C)CCC(=O)N1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001487130863 990956646 /nfs/dbraw/zinc/95/66/46/990956646.db2.gz GTQNJKFKWUABIE-BRWVUGGUSA-N 1 2 358.486 2.757 20 30 FFEDLO C=C(C)CCC(=O)N1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001487130863 990956653 /nfs/dbraw/zinc/95/66/53/990956653.db2.gz GTQNJKFKWUABIE-BRWVUGGUSA-N 1 2 358.486 2.757 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001006022030 991024402 /nfs/dbraw/zinc/02/44/02/991024402.db2.gz LDCSLJBKMZOSKF-SJORKVTESA-N 1 2 361.486 2.812 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cccc(C(C)C)n2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212253874 991030146 /nfs/dbraw/zinc/03/01/46/991030146.db2.gz KKRFXNOZDFCFDQ-RTBURBONSA-N 1 2 357.498 2.570 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cccc(C(C)C)n2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212253874 991030151 /nfs/dbraw/zinc/03/01/51/991030151.db2.gz KKRFXNOZDFCFDQ-RTBURBONSA-N 1 2 357.498 2.570 20 30 FFEDLO Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)C[N@H+](C[C@@H](C#N)CCC#N)C2)cn1 ZINC000879607861 1015609153 /nfs/dbraw/zinc/60/91/53/1015609153.db2.gz ODZJSWGXJFMRAS-ZACQAIPSSA-N 1 2 371.485 2.611 20 30 FFEDLO Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)C[N@@H+](C[C@@H](C#N)CCC#N)C2)cn1 ZINC000879607861 1015609158 /nfs/dbraw/zinc/60/91/58/1015609158.db2.gz ODZJSWGXJFMRAS-ZACQAIPSSA-N 1 2 371.485 2.611 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ncc(C)o1 ZINC001089699913 991424729 /nfs/dbraw/zinc/42/47/29/991424729.db2.gz SCACBWHVNIHGCS-ZACQAIPSSA-N 1 2 361.486 2.681 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ncc(C)o1 ZINC001089699913 991424733 /nfs/dbraw/zinc/42/47/33/991424733.db2.gz SCACBWHVNIHGCS-ZACQAIPSSA-N 1 2 361.486 2.681 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1OC ZINC001212338144 991724103 /nfs/dbraw/zinc/72/41/03/991724103.db2.gz FSSWGQKPRDYIEN-IAGOWNOFSA-N 1 2 362.518 2.556 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1OC ZINC001212338144 991724115 /nfs/dbraw/zinc/72/41/15/991724115.db2.gz FSSWGQKPRDYIEN-IAGOWNOFSA-N 1 2 362.518 2.556 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2(C)C)CC1 ZINC001008548384 1015655818 /nfs/dbraw/zinc/65/58/18/1015655818.db2.gz FRVNGFABKURJKU-NUJGCVRESA-N 1 2 370.497 2.613 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2(C)C)CC1 ZINC001008548384 1015655823 /nfs/dbraw/zinc/65/58/23/1015655823.db2.gz FRVNGFABKURJKU-NUJGCVRESA-N 1 2 370.497 2.613 20 30 FFEDLO NC(=NOCc1cc(F)ccc1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181841022 991892265 /nfs/dbraw/zinc/89/22/65/991892265.db2.gz ZMVXPYKPSVCXHN-SFHVURJKSA-N 1 2 361.392 2.655 20 30 FFEDLO NC(=NOCc1cc(F)ccc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181841022 991892270 /nfs/dbraw/zinc/89/22/70/991892270.db2.gz ZMVXPYKPSVCXHN-SFHVURJKSA-N 1 2 361.392 2.655 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)o1 ZINC001079528095 992164798 /nfs/dbraw/zinc/16/47/98/992164798.db2.gz TYMDXKCZUMQMGW-FZKQIMNGSA-N 1 2 355.413 2.532 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)o1 ZINC001079528095 992164803 /nfs/dbraw/zinc/16/48/03/992164803.db2.gz TYMDXKCZUMQMGW-FZKQIMNGSA-N 1 2 355.413 2.532 20 30 FFEDLO Cc1ccncc1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001079524732 992187445 /nfs/dbraw/zinc/18/74/45/992187445.db2.gz NWJSPHGGWMMTSB-AUUYWEPGSA-N 1 2 352.413 2.651 20 30 FFEDLO Cc1ccncc1C(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001079524732 992187451 /nfs/dbraw/zinc/18/74/51/992187451.db2.gz NWJSPHGGWMMTSB-AUUYWEPGSA-N 1 2 352.413 2.651 20 30 FFEDLO CCCc1nc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC001079543885 992194681 /nfs/dbraw/zinc/19/46/81/992194681.db2.gz XZQLASONOGHFER-MLGOLLRUSA-N 1 2 357.483 2.546 20 30 FFEDLO CCCc1nc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC001079543885 992194685 /nfs/dbraw/zinc/19/46/85/992194685.db2.gz XZQLASONOGHFER-MLGOLLRUSA-N 1 2 357.483 2.546 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)n1cccc1 ZINC001079581674 992224763 /nfs/dbraw/zinc/22/47/63/992224763.db2.gz YFAMOUAFQKFTDO-ZRGWGRIASA-N 1 2 354.429 2.697 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)n1cccc1 ZINC001079581674 992224766 /nfs/dbraw/zinc/22/47/66/992224766.db2.gz YFAMOUAFQKFTDO-ZRGWGRIASA-N 1 2 354.429 2.697 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001079817178 992447064 /nfs/dbraw/zinc/44/70/64/992447064.db2.gz LAHAOTMLFKZOSM-YUSALJHKSA-N 1 2 351.235 2.767 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001079817178 992447072 /nfs/dbraw/zinc/44/70/72/992447072.db2.gz LAHAOTMLFKZOSM-YUSALJHKSA-N 1 2 351.235 2.767 20 30 FFEDLO C[C@@H]1[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCOC1(C)C ZINC000763626660 992505976 /nfs/dbraw/zinc/50/59/76/992505976.db2.gz DDAOVASTDQVPSL-DZGCQCFKSA-N 1 2 350.422 2.723 20 30 FFEDLO C[C@@H]1[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCOC1(C)C ZINC000763626660 992505985 /nfs/dbraw/zinc/50/59/85/992505985.db2.gz DDAOVASTDQVPSL-DZGCQCFKSA-N 1 2 350.422 2.723 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCC(F)(F)C2)cc1C#N ZINC001272711321 992581087 /nfs/dbraw/zinc/58/10/87/992581087.db2.gz MBNRQEUGJJCEMY-HRCADAONSA-N 1 2 362.424 2.507 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCC(F)(F)C2)cc1C#N ZINC001272711321 992581095 /nfs/dbraw/zinc/58/10/95/992581095.db2.gz MBNRQEUGJJCEMY-HRCADAONSA-N 1 2 362.424 2.507 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3nnc(C)o3)C[C@H]2C)cc1 ZINC001079977912 992639352 /nfs/dbraw/zinc/63/93/52/992639352.db2.gz PXBAKDHOULIUBB-HBUWYVDXSA-N 1 2 370.453 2.754 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3nnc(C)o3)C[C@H]2C)cc1 ZINC001079977912 992639357 /nfs/dbraw/zinc/63/93/57/992639357.db2.gz PXBAKDHOULIUBB-HBUWYVDXSA-N 1 2 370.453 2.754 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cc(C2CC2)on1 ZINC001080217070 992835437 /nfs/dbraw/zinc/83/54/37/992835437.db2.gz RANADCHTVJJBJW-AUUYWEPGSA-N 1 2 367.424 2.793 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cc(C2CC2)on1 ZINC001080217070 992835444 /nfs/dbraw/zinc/83/54/44/992835444.db2.gz RANADCHTVJJBJW-AUUYWEPGSA-N 1 2 367.424 2.793 20 30 FFEDLO Cc1ccoc1CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001080402043 993030984 /nfs/dbraw/zinc/03/09/84/993030984.db2.gz BJRKDIQSIYHNGI-RDTXWAMCSA-N 1 2 355.413 2.778 20 30 FFEDLO Cc1ccoc1CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001080402043 993030987 /nfs/dbraw/zinc/03/09/87/993030987.db2.gz BJRKDIQSIYHNGI-RDTXWAMCSA-N 1 2 355.413 2.778 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(=O)Nc3cccc(F)c3)C[C@H]2C)C1 ZINC001080404452 993032645 /nfs/dbraw/zinc/03/26/45/993032645.db2.gz ISNSVWVSDFJYQN-RHSMWYFYSA-N 1 2 359.445 2.557 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(=O)Nc3cccc(F)c3)C[C@H]2C)C1 ZINC001080404452 993032651 /nfs/dbraw/zinc/03/26/51/993032651.db2.gz ISNSVWVSDFJYQN-RHSMWYFYSA-N 1 2 359.445 2.557 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(=O)Nc3cccc(C)c3)C[C@H]2C)C1 ZINC001080404416 993033203 /nfs/dbraw/zinc/03/32/03/993033203.db2.gz HCRAAOHACKLYPP-SJLPKXTDSA-N 1 2 355.482 2.726 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(=O)Nc3cccc(C)c3)C[C@H]2C)C1 ZINC001080404416 993033207 /nfs/dbraw/zinc/03/32/07/993033207.db2.gz HCRAAOHACKLYPP-SJLPKXTDSA-N 1 2 355.482 2.726 20 30 FFEDLO CC(C)n1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)n1 ZINC001080544064 993134461 /nfs/dbraw/zinc/13/44/61/993134461.db2.gz XDCVCUXLZAOKMO-AUUYWEPGSA-N 1 2 369.444 2.725 20 30 FFEDLO CC(C)n1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)n1 ZINC001080544064 993134466 /nfs/dbraw/zinc/13/44/66/993134466.db2.gz XDCVCUXLZAOKMO-AUUYWEPGSA-N 1 2 369.444 2.725 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1cc(C2CC2)no1 ZINC001080535216 993145628 /nfs/dbraw/zinc/14/56/28/993145628.db2.gz AFGRYBJBCFVZQB-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1cc(C2CC2)no1 ZINC001080535216 993145635 /nfs/dbraw/zinc/14/56/35/993145635.db2.gz AFGRYBJBCFVZQB-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO CN(Cc1cccc(C#N)c1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001124928766 993169519 /nfs/dbraw/zinc/16/95/19/993169519.db2.gz LFVVMHWDXGFVTN-UHFFFAOYSA-N 1 2 361.361 2.924 20 30 FFEDLO COc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)o1 ZINC001080661618 993255687 /nfs/dbraw/zinc/25/56/87/993255687.db2.gz BZKYWWCNSVITKK-MLGOLLRUSA-N 1 2 357.385 2.549 20 30 FFEDLO COc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)o1 ZINC001080661618 993255691 /nfs/dbraw/zinc/25/56/91/993255691.db2.gz BZKYWWCNSVITKK-MLGOLLRUSA-N 1 2 357.385 2.549 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)o1 ZINC001080722716 993331084 /nfs/dbraw/zinc/33/10/84/993331084.db2.gz VTQRDGWWTPQLNF-SJKOYZFVSA-N 1 2 370.428 2.807 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)o1 ZINC001080722716 993331091 /nfs/dbraw/zinc/33/10/91/993331091.db2.gz VTQRDGWWTPQLNF-SJKOYZFVSA-N 1 2 370.428 2.807 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3F)C[C@H]2C)cn1 ZINC001080810329 993384975 /nfs/dbraw/zinc/38/49/75/993384975.db2.gz GFSJRNMGFMSJEG-BFUOFWGJSA-N 1 2 355.388 2.591 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3F)C[C@H]2C)cn1 ZINC001080810329 993384980 /nfs/dbraw/zinc/38/49/80/993384980.db2.gz GFSJRNMGFMSJEG-BFUOFWGJSA-N 1 2 355.388 2.591 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001080851357 993413156 /nfs/dbraw/zinc/41/31/56/993413156.db2.gz FHBCVJARPLPJGP-FOIQADDNSA-N 1 2 363.461 2.713 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001080851357 993413157 /nfs/dbraw/zinc/41/31/57/993413157.db2.gz FHBCVJARPLPJGP-FOIQADDNSA-N 1 2 363.461 2.713 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)sc1C ZINC001080966235 993521920 /nfs/dbraw/zinc/52/19/20/993521920.db2.gz QKQGPOOFXQJUDR-RDTXWAMCSA-N 1 2 353.491 2.862 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)sc1C ZINC001080966235 993521925 /nfs/dbraw/zinc/52/19/25/993521925.db2.gz QKQGPOOFXQJUDR-RDTXWAMCSA-N 1 2 353.491 2.862 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1ccccc1C ZINC001081301166 993789983 /nfs/dbraw/zinc/78/99/83/993789983.db2.gz BJVSYMLOGGRRCY-NHCUHLMSSA-N 1 2 366.436 2.615 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1ccccc1C ZINC001081301166 993789991 /nfs/dbraw/zinc/78/99/91/993789991.db2.gz BJVSYMLOGGRRCY-NHCUHLMSSA-N 1 2 366.436 2.615 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)CC1CCCC1 ZINC001081306231 993794028 /nfs/dbraw/zinc/79/40/28/993794028.db2.gz BFLQMHGOHDJDHZ-WOJBJXKFSA-N 1 2 358.457 2.573 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)CC1CCCC1 ZINC001081306231 993794035 /nfs/dbraw/zinc/79/40/35/993794035.db2.gz BFLQMHGOHDJDHZ-WOJBJXKFSA-N 1 2 358.457 2.573 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001081934798 994057377 /nfs/dbraw/zinc/05/73/77/994057377.db2.gz LVPRSDCFIYXRCD-PSBWJHGTSA-N 1 2 373.472 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001081934798 994057384 /nfs/dbraw/zinc/05/73/84/994057384.db2.gz LVPRSDCFIYXRCD-PSBWJHGTSA-N 1 2 373.472 2.695 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C1CC2(CCC2)C1 ZINC001082040988 994115043 /nfs/dbraw/zinc/11/50/43/994115043.db2.gz AYBIBONITWHTFJ-RTBURBONSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C1CC2(CCC2)C1 ZINC001082040988 994115050 /nfs/dbraw/zinc/11/50/50/994115050.db2.gz AYBIBONITWHTFJ-RTBURBONSA-N 1 2 371.456 2.593 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001082096328 994152645 /nfs/dbraw/zinc/15/26/45/994152645.db2.gz IHEBVDUZEQFQJF-RCCFBDPRSA-N 1 2 370.497 2.779 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001082096328 994152652 /nfs/dbraw/zinc/15/26/52/994152652.db2.gz IHEBVDUZEQFQJF-RCCFBDPRSA-N 1 2 370.497 2.779 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3)C[C@H]2OC)C1 ZINC001082110948 994192739 /nfs/dbraw/zinc/19/27/39/994192739.db2.gz NRNRKDJFVPGYNJ-IAGOWNOFSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cc(F)cc(F)c3)C[C@H]2OC)C1 ZINC001082110948 994192742 /nfs/dbraw/zinc/19/27/42/994192742.db2.gz NRNRKDJFVPGYNJ-IAGOWNOFSA-N 1 2 350.409 2.637 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H](F)c1ccccc1 ZINC001082183629 994259581 /nfs/dbraw/zinc/25/95/81/994259581.db2.gz LWIPYSXZHGQERO-NJDAHSKKSA-N 1 2 366.436 2.564 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H](F)c1ccccc1 ZINC001082183629 994259590 /nfs/dbraw/zinc/25/95/90/994259590.db2.gz LWIPYSXZHGQERO-NJDAHSKKSA-N 1 2 366.436 2.564 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cc(C)ccc1C ZINC001082343861 994396154 /nfs/dbraw/zinc/39/61/54/994396154.db2.gz KYZLLIUGWYVPQC-RTBURBONSA-N 1 2 369.490 2.866 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cc(C)ccc1C ZINC001082343861 994396164 /nfs/dbraw/zinc/39/61/64/994396164.db2.gz KYZLLIUGWYVPQC-RTBURBONSA-N 1 2 369.490 2.866 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1[C@@H](c3ccccc3)C1(C)C)CO2 ZINC001053802376 1015880788 /nfs/dbraw/zinc/88/07/88/1015880788.db2.gz AJKBUTKGRRHADA-OTWHNJEPSA-N 1 2 354.494 2.962 20 30 FFEDLO COc1cccc(NC(=O)[C@H](C#N)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)c1 ZINC000810529947 994812518 /nfs/dbraw/zinc/81/25/18/994812518.db2.gz RSNRSVHXTBYPHN-BEFAXECRSA-N 1 2 361.417 2.555 20 30 FFEDLO COc1cccc(NC(=O)[C@H](C#N)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)c1 ZINC000810529947 994812533 /nfs/dbraw/zinc/81/25/33/994812533.db2.gz RSNRSVHXTBYPHN-BEFAXECRSA-N 1 2 361.417 2.555 20 30 FFEDLO C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2noc(C)n2)C1 ZINC001082600360 995045199 /nfs/dbraw/zinc/04/51/99/995045199.db2.gz QHVGPMYNQGKUMA-CKEIUWERSA-N 1 2 370.453 2.754 20 30 FFEDLO C[C@@H]1CN(C(=O)c2cccc3n[nH]cc32)C[C@H]1[NH2+]Cc1ccccc1C#N ZINC001082677191 995251052 /nfs/dbraw/zinc/25/10/52/995251052.db2.gz USNNOEJGJLFBGV-JLTOFOAXSA-N 1 2 359.433 2.685 20 30 FFEDLO NC(=NOC[C@@H]1C[C@H]1c1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000812303556 995400787 /nfs/dbraw/zinc/40/07/87/995400787.db2.gz BZHMGZVXXQENKS-SFTDATJTSA-N 1 2 365.477 2.959 20 30 FFEDLO C#CCN(C)c1cnc(-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)cn1 ZINC000813340989 995669303 /nfs/dbraw/zinc/66/93/03/995669303.db2.gz VVWUXLIXFIMKOK-UHFFFAOYSA-N 1 2 371.404 2.508 20 30 FFEDLO C[C@@H]1CN(C(=O)c2[nH]nc3ccccc32)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001082896012 995768784 /nfs/dbraw/zinc/76/87/84/995768784.db2.gz WSXWIOGCEXERLZ-SJKOYZFVSA-N 1 2 365.462 2.746 20 30 FFEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000727491765 995836399 /nfs/dbraw/zinc/83/63/99/995836399.db2.gz NJPJSJWCBUCJEA-KRWDZBQOSA-N 1 2 369.469 2.636 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc4c3CCCCC4)[C@H]2C1 ZINC001083113525 996061162 /nfs/dbraw/zinc/06/11/62/996061162.db2.gz FKGKGBUTYJHZRH-LEWJYISDSA-N 1 2 352.478 2.504 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc4c3CCCCC4)[C@H]2C1 ZINC001083113525 996061164 /nfs/dbraw/zinc/06/11/64/996061164.db2.gz FKGKGBUTYJHZRH-LEWJYISDSA-N 1 2 352.478 2.504 20 30 FFEDLO Cc1ccncc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084250552 996355949 /nfs/dbraw/zinc/35/59/49/996355949.db2.gz LLVLQSMDPCEQRX-WIYYLYMNSA-N 1 2 363.436 2.727 20 30 FFEDLO Cc1ccncc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084250552 996355952 /nfs/dbraw/zinc/35/59/52/996355952.db2.gz LLVLQSMDPCEQRX-WIYYLYMNSA-N 1 2 363.436 2.727 20 30 FFEDLO Cc1cncc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)c1 ZINC001084252157 996357281 /nfs/dbraw/zinc/35/72/81/996357281.db2.gz KUQNZDRUUJIQAG-OXQOHEQNSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cncc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)c1 ZINC001084252157 996357287 /nfs/dbraw/zinc/35/72/87/996357287.db2.gz KUQNZDRUUJIQAG-OXQOHEQNSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1nc(C)c(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)o1 ZINC001084252400 996357805 /nfs/dbraw/zinc/35/78/05/996357805.db2.gz XTOKTRLSHDQQTI-CRAIPNDOSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1nc(C)c(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)o1 ZINC001084252400 996357811 /nfs/dbraw/zinc/35/78/11/996357811.db2.gz XTOKTRLSHDQQTI-CRAIPNDOSA-N 1 2 368.412 2.649 20 30 FFEDLO CC[C@H](OC)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084225434 996374058 /nfs/dbraw/zinc/37/40/58/996374058.db2.gz KPPRZCJOZHTVKX-QRQLOZEOSA-N 1 2 360.885 2.649 20 30 FFEDLO CC[C@H](OC)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084225434 996374066 /nfs/dbraw/zinc/37/40/66/996374066.db2.gz KPPRZCJOZHTVKX-QRQLOZEOSA-N 1 2 360.885 2.649 20 30 FFEDLO Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001084232287 996382271 /nfs/dbraw/zinc/38/22/71/996382271.db2.gz ZQCUVPGRMJFZED-LSBZLQRGSA-N 1 2 364.449 2.842 20 30 FFEDLO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001084232287 996382276 /nfs/dbraw/zinc/38/22/76/996382276.db2.gz ZQCUVPGRMJFZED-LSBZLQRGSA-N 1 2 364.449 2.842 20 30 FFEDLO Cc1ccc2sc(C[N@H+]3CC[C@@H]4CN(C(=O)[C@@H](C)C#N)[C@@H]4C3)nc2c1 ZINC001084236305 996386204 /nfs/dbraw/zinc/38/62/04/996386204.db2.gz CYKKOJFHCVCTHZ-SQWLQELKSA-N 1 2 354.479 2.797 20 30 FFEDLO Cc1ccc2sc(C[N@@H+]3CC[C@@H]4CN(C(=O)[C@@H](C)C#N)[C@@H]4C3)nc2c1 ZINC001084236305 996386208 /nfs/dbraw/zinc/38/62/08/996386208.db2.gz CYKKOJFHCVCTHZ-SQWLQELKSA-N 1 2 354.479 2.797 20 30 FFEDLO Cc1ccc2sc(C[N@H+]3CC[C@@H]4CN(C(=O)[C@H](C)C#N)[C@@H]4C3)nc2c1 ZINC001084236304 996387074 /nfs/dbraw/zinc/38/70/74/996387074.db2.gz CYKKOJFHCVCTHZ-IIAWOOMASA-N 1 2 354.479 2.797 20 30 FFEDLO Cc1ccc2sc(C[N@@H+]3CC[C@@H]4CN(C(=O)[C@H](C)C#N)[C@@H]4C3)nc2c1 ZINC001084236304 996387077 /nfs/dbraw/zinc/38/70/77/996387077.db2.gz CYKKOJFHCVCTHZ-IIAWOOMASA-N 1 2 354.479 2.797 20 30 FFEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(O)ccc4Cl)C[C@H]32)[nH]1 ZINC001084289000 996395152 /nfs/dbraw/zinc/39/51/52/996395152.db2.gz LODRCCJCCIHAMT-KZULUSFZSA-N 1 2 370.840 2.592 20 30 FFEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(O)ccc4Cl)C[C@H]32)[nH]1 ZINC001084289000 996395156 /nfs/dbraw/zinc/39/51/56/996395156.db2.gz LODRCCJCCIHAMT-KZULUSFZSA-N 1 2 370.840 2.592 20 30 FFEDLO CCc1nc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)co1 ZINC001084294598 996400468 /nfs/dbraw/zinc/40/04/68/996400468.db2.gz XRLRMZVNXPIOCW-CRAIPNDOSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)co1 ZINC001084294598 996400472 /nfs/dbraw/zinc/40/04/72/996400472.db2.gz XRLRMZVNXPIOCW-CRAIPNDOSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1[nH]ccc1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084321349 996453095 /nfs/dbraw/zinc/45/30/95/996453095.db2.gz QBGYYFLHPLSZCI-FOIQADDNSA-N 1 2 366.440 2.934 20 30 FFEDLO CCc1[nH]ccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084321349 996453097 /nfs/dbraw/zinc/45/30/97/996453097.db2.gz QBGYYFLHPLSZCI-FOIQADDNSA-N 1 2 366.440 2.934 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(NC(=O)CC)c3)[C@@H]2C1 ZINC001084387481 996528504 /nfs/dbraw/zinc/52/85/04/996528504.db2.gz KKZWFACFJCDXDO-NVXWUHKLSA-N 1 2 361.873 2.934 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(NC(=O)CC)c3)[C@@H]2C1 ZINC001084387481 996528508 /nfs/dbraw/zinc/52/85/08/996528508.db2.gz KKZWFACFJCDXDO-NVXWUHKLSA-N 1 2 361.873 2.934 20 30 FFEDLO CCc1ncsc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084390285 996531698 /nfs/dbraw/zinc/53/16/98/996531698.db2.gz IOIBSZSORNHCEN-IEBWSBKVSA-N 1 2 365.502 2.904 20 30 FFEDLO CCc1ncsc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084390285 996531699 /nfs/dbraw/zinc/53/16/99/996531699.db2.gz IOIBSZSORNHCEN-IEBWSBKVSA-N 1 2 365.502 2.904 20 30 FFEDLO CCc1cccc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)n1 ZINC001084412685 996556790 /nfs/dbraw/zinc/55/67/90/996556790.db2.gz TWDIBAYBRQMMCO-DENIHFKCSA-N 1 2 359.473 2.842 20 30 FFEDLO CCc1cccc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)n1 ZINC001084412685 996556793 /nfs/dbraw/zinc/55/67/93/996556793.db2.gz TWDIBAYBRQMMCO-DENIHFKCSA-N 1 2 359.473 2.842 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ncc(F)cc3F)[C@@H]2C1 ZINC001084456205 996567559 /nfs/dbraw/zinc/56/75/59/996567559.db2.gz ZQHRWHWROANYKY-CRAIPNDOSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ncc(F)cc3F)[C@@H]2C1 ZINC001084456205 996567563 /nfs/dbraw/zinc/56/75/63/996567563.db2.gz ZQHRWHWROANYKY-CRAIPNDOSA-N 1 2 368.387 2.578 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3Cc4cc(Cl)ccc4O3)[C@@H]2C1 ZINC001084497285 996621549 /nfs/dbraw/zinc/62/15/49/996621549.db2.gz JIKLXOZVGPZLEH-SRCQZFHVSA-N 1 2 367.276 2.929 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3Cc4cc(Cl)ccc4O3)[C@@H]2C1 ZINC001084497285 996621551 /nfs/dbraw/zinc/62/15/51/996621551.db2.gz JIKLXOZVGPZLEH-SRCQZFHVSA-N 1 2 367.276 2.929 20 30 FFEDLO Cc1ncccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084618871 996734333 /nfs/dbraw/zinc/73/43/33/996734333.db2.gz LBRUCLUHFYCFEO-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1ncccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084618871 996734336 /nfs/dbraw/zinc/73/43/36/996734336.db2.gz LBRUCLUHFYCFEO-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001084634981 996748948 /nfs/dbraw/zinc/74/89/48/996748948.db2.gz MBZJMNGFOZXUED-MUKKUYKPSA-N 1 2 366.456 2.993 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001084634981 996748949 /nfs/dbraw/zinc/74/89/49/996748949.db2.gz MBZJMNGFOZXUED-MUKKUYKPSA-N 1 2 366.456 2.993 20 30 FFEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cccc(OCC(=O)N(C)C)c1 ZINC000730147611 996894803 /nfs/dbraw/zinc/89/48/03/996894803.db2.gz GKSNAJPVGHHTTL-UHFFFAOYSA-N 1 2 362.433 2.960 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2cc(Br)c(CC)s2)CC1 ZINC001136863243 996905064 /nfs/dbraw/zinc/90/50/64/996905064.db2.gz VHEOTOUFCSGURH-UHFFFAOYSA-N 1 2 355.301 2.854 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc(Br)c(CC)s2)CC1 ZINC001136863243 996905075 /nfs/dbraw/zinc/90/50/75/996905075.db2.gz VHEOTOUFCSGURH-UHFFFAOYSA-N 1 2 355.301 2.854 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(N4CC=CC4)c3)[C@@H]2C1 ZINC001084691018 996928839 /nfs/dbraw/zinc/92/88/39/996928839.db2.gz AROJOMWJMPBTRJ-IEBWSBKVSA-N 1 2 357.885 2.962 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(N4CC=CC4)c3)[C@@H]2C1 ZINC001084691018 996928855 /nfs/dbraw/zinc/92/88/55/996928855.db2.gz AROJOMWJMPBTRJ-IEBWSBKVSA-N 1 2 357.885 2.962 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2Cl)C[C@H]1NC(=O)CSCC#N ZINC001206089698 1032138620 /nfs/dbraw/zinc/13/86/20/1032138620.db2.gz CQDWBWULMNBDRY-IAQYHMDHSA-N 1 2 355.866 2.672 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2Cl)C[C@H]1NC(=O)CSCC#N ZINC001206089698 1032138629 /nfs/dbraw/zinc/13/86/29/1032138629.db2.gz CQDWBWULMNBDRY-IAQYHMDHSA-N 1 2 355.866 2.672 20 30 FFEDLO O=C(c1cc(Cl)no1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084789484 997369905 /nfs/dbraw/zinc/36/99/05/997369905.db2.gz KBYKGQCFMQUZDL-HZPDHXFCSA-N 1 2 355.825 2.526 20 30 FFEDLO O=C(c1cc(Cl)no1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084789484 997369917 /nfs/dbraw/zinc/36/99/17/997369917.db2.gz KBYKGQCFMQUZDL-HZPDHXFCSA-N 1 2 355.825 2.526 20 30 FFEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844323497 997808745 /nfs/dbraw/zinc/80/87/45/997808745.db2.gz AIZUOLNGKDJGQM-QZTJIDSGSA-N 1 2 374.872 2.505 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccnc3)C[C@@H]21 ZINC001084880182 997812161 /nfs/dbraw/zinc/81/21/61/997812161.db2.gz PNGQHMLNKRONDZ-QRWLVFNGSA-N 1 2 364.424 2.829 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccnc3)C[C@@H]21 ZINC001084880182 997812171 /nfs/dbraw/zinc/81/21/71/997812171.db2.gz PNGQHMLNKRONDZ-QRWLVFNGSA-N 1 2 364.424 2.829 20 30 FFEDLO COCOc1ccc(OC)cc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000826894257 1016171153 /nfs/dbraw/zinc/17/11/53/1016171153.db2.gz MKYKTSOTFIXJCT-UHFFFAOYSA-N 1 2 373.478 2.933 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCOC3)C[C@@H]21 ZINC001084903415 997973274 /nfs/dbraw/zinc/97/32/74/997973274.db2.gz BNIHLFDPPOBSLF-SYNHAJSKSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCOC3)C[C@@H]21 ZINC001084903415 997973284 /nfs/dbraw/zinc/97/32/84/997973284.db2.gz BNIHLFDPPOBSLF-SYNHAJSKSA-N 1 2 371.456 2.547 20 30 FFEDLO CC(C)(C)OC(=O)N1CCO[C@@]2(CCC[N@H+](Cc3cncc(C#N)c3)C2)C1 ZINC001144074363 997989489 /nfs/dbraw/zinc/98/94/89/997989489.db2.gz KPSBATSGGHSEHM-HXUWFJFHSA-N 1 2 372.469 2.555 20 30 FFEDLO CC(C)(C)OC(=O)N1CCO[C@@]2(CCC[N@@H+](Cc3cncc(C#N)c3)C2)C1 ZINC001144074363 997989503 /nfs/dbraw/zinc/98/95/03/997989503.db2.gz KPSBATSGGHSEHM-HXUWFJFHSA-N 1 2 372.469 2.555 20 30 FFEDLO O=C(C(F)C(F)(F)F)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1 ZINC001084945605 998261831 /nfs/dbraw/zinc/26/18/31/998261831.db2.gz KKAVAUWQMKSGKU-IXDOHACOSA-N 1 2 368.374 2.861 20 30 FFEDLO O=C(C(F)C(F)(F)F)N1CC[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@H]2C1 ZINC001084945605 998261839 /nfs/dbraw/zinc/26/18/39/998261839.db2.gz KKAVAUWQMKSGKU-IXDOHACOSA-N 1 2 368.374 2.861 20 30 FFEDLO O=S1(=O)CCC(=NNc2cc[nH+]c3ccccc23)c2cc(F)c(F)cc21 ZINC000731927498 998355708 /nfs/dbraw/zinc/35/57/08/998355708.db2.gz JHEKDVJPLXBYCP-UHFFFAOYSA-N 1 2 373.384 2.929 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000732059894 998434504 /nfs/dbraw/zinc/43/45/04/998434504.db2.gz JZBHSTZMPAKTAV-LPHOPBHVSA-N 1 2 353.466 2.737 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000732059894 998434507 /nfs/dbraw/zinc/43/45/07/998434507.db2.gz JZBHSTZMPAKTAV-LPHOPBHVSA-N 1 2 353.466 2.737 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(CC)n4C)[C@H]3C2)CC1 ZINC001085023687 998700522 /nfs/dbraw/zinc/70/05/22/998700522.db2.gz PPECZPALDYSYFD-AEFFLSMTSA-N 1 2 371.529 2.547 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc(CC)n4C)[C@H]3C2)CC1 ZINC001085023687 998700526 /nfs/dbraw/zinc/70/05/26/998700526.db2.gz PPECZPALDYSYFD-AEFFLSMTSA-N 1 2 371.529 2.547 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cccc3[nH+]ccn32)C1 ZINC001000147109 1016244294 /nfs/dbraw/zinc/24/42/94/1016244294.db2.gz LHXBSCJEXBCPJT-PMPSAXMXSA-N 1 2 364.449 2.552 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)o3)[C@H]2C1)c1ccccc1 ZINC001085099507 998941869 /nfs/dbraw/zinc/94/18/69/998941869.db2.gz WQRAVRMWLOTPHZ-QRVBRYPASA-N 1 2 366.465 2.771 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)o3)[C@H]2C1)c1ccccc1 ZINC001085099507 998941876 /nfs/dbraw/zinc/94/18/76/998941876.db2.gz WQRAVRMWLOTPHZ-QRVBRYPASA-N 1 2 366.465 2.771 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000733306923 998953060 /nfs/dbraw/zinc/95/30/60/998953060.db2.gz NIJBISIQNVUFOG-GFCCVEGCSA-N 1 2 372.381 2.576 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1nc(C)c(C)s1 ZINC001085600223 999586422 /nfs/dbraw/zinc/58/64/22/999586422.db2.gz NBNDCIVGAHDCJZ-ZACQAIPSSA-N 1 2 363.527 2.774 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1nc(C)c(C)s1 ZINC001085600223 999586424 /nfs/dbraw/zinc/58/64/24/999586424.db2.gz NBNDCIVGAHDCJZ-ZACQAIPSSA-N 1 2 363.527 2.774 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C)ns1 ZINC001085864551 999662635 /nfs/dbraw/zinc/66/26/35/999662635.db2.gz DFTSAZYVWDQWGN-SZMVWBNQSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C)ns1 ZINC001085864551 999662638 /nfs/dbraw/zinc/66/26/38/999662638.db2.gz DFTSAZYVWDQWGN-SZMVWBNQSA-N 1 2 363.527 2.856 20 30 FFEDLO CC[N@H+](C)[C@H](C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000741150860 999711779 /nfs/dbraw/zinc/71/17/79/999711779.db2.gz ONDLFNYEHSRSDY-WMZOPIPTSA-N 1 2 371.481 2.954 20 30 FFEDLO CC[N@@H+](C)[C@H](C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000741150860 999711782 /nfs/dbraw/zinc/71/17/82/999711782.db2.gz ONDLFNYEHSRSDY-WMZOPIPTSA-N 1 2 371.481 2.954 20 30 FFEDLO CC[N@H+](C)[C@@H](C(=O)OCC(=O)N(CC#N)c1ccccc1)c1ccccc1 ZINC000741151038 999712205 /nfs/dbraw/zinc/71/22/05/999712205.db2.gz SMJLDCTYAYTFGQ-HXUWFJFHSA-N 1 2 365.433 2.779 20 30 FFEDLO CC[N@@H+](C)[C@@H](C(=O)OCC(=O)N(CC#N)c1ccccc1)c1ccccc1 ZINC000741151038 999712207 /nfs/dbraw/zinc/71/22/07/999712207.db2.gz SMJLDCTYAYTFGQ-HXUWFJFHSA-N 1 2 365.433 2.779 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(OC)cc2)nc1 ZINC000741717287 999738181 /nfs/dbraw/zinc/73/81/81/999738181.db2.gz AEUXRUHHJWSPGQ-SFHVURJKSA-N 1 2 351.406 2.919 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(OC)cc2)nc1 ZINC000741717287 999738183 /nfs/dbraw/zinc/73/81/83/999738183.db2.gz AEUXRUHHJWSPGQ-SFHVURJKSA-N 1 2 351.406 2.919 20 30 FFEDLO Cc1noc(CO[NH+]=C(N)c2ccc(COc3ccccc3F)cc2)n1 ZINC000742356382 999769837 /nfs/dbraw/zinc/76/98/37/999769837.db2.gz ALQLLDOCAWNSIN-UHFFFAOYSA-N 1 2 356.357 2.933 20 30 FFEDLO C#CCCCNC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000743692049 999829258 /nfs/dbraw/zinc/82/92/58/999829258.db2.gz NAPYNOFPILXHIU-UHFFFAOYSA-N 1 2 369.387 2.826 20 30 FFEDLO N#C[C@@H](C(=O)C[NH+]1C2CCCC1CCC2)c1nc2ccccc2c(=O)[nH]1 ZINC000744406004 999855821 /nfs/dbraw/zinc/85/58/21/999855821.db2.gz BTLLICBAERKDSC-XUJLQICISA-N 1 2 350.422 2.919 20 30 FFEDLO CC[N@H+](C)[C@H](C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000745099246 999892907 /nfs/dbraw/zinc/89/29/07/999892907.db2.gz XWFBTJGNWPGUEA-SYNHAJSKSA-N 1 2 359.470 2.666 20 30 FFEDLO CC[N@@H+](C)[C@H](C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000745099246 999892908 /nfs/dbraw/zinc/89/29/08/999892908.db2.gz XWFBTJGNWPGUEA-SYNHAJSKSA-N 1 2 359.470 2.666 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001049976524 1016369194 /nfs/dbraw/zinc/36/91/94/1016369194.db2.gz MBLROGRFMQVTEP-AOIWGVFYSA-N 1 2 358.486 2.949 20 30 FFEDLO N#Cc1cccnc1N[C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001049981530 1016370226 /nfs/dbraw/zinc/37/02/26/1016370226.db2.gz KCJUVLNCBRKODI-BRWVUGGUSA-N 1 2 364.453 2.663 20 30 FFEDLO N#Cc1cccnc1N[C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001049981530 1016370233 /nfs/dbraw/zinc/37/02/33/1016370233.db2.gz KCJUVLNCBRKODI-BRWVUGGUSA-N 1 2 364.453 2.663 20 30 FFEDLO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)CO1 ZINC001169319139 1000038403 /nfs/dbraw/zinc/03/84/03/1000038403.db2.gz DRGUPOAKPDYUCP-SFYZADRCSA-N 1 2 355.250 2.520 20 30 FFEDLO COc1ccc(C(=NO)Nc2c[nH+]c3c(Br)cccn23)nc1 ZINC001169605231 1000061506 /nfs/dbraw/zinc/06/15/06/1000061506.db2.gz NLJFFZAQYSGCAK-UHFFFAOYSA-N 1 2 362.187 2.748 20 30 FFEDLO C=CC[C@]1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CCCN1C(=O)OC(C)(C)C ZINC000804334945 1000069466 /nfs/dbraw/zinc/06/94/66/1000069466.db2.gz NEKBYTIGUFPFLZ-MGPUTAFESA-N 1 2 374.485 2.660 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001109028211 1000152563 /nfs/dbraw/zinc/15/25/63/1000152563.db2.gz MCTHCPINQZAZJN-ZFCZOSEKSA-N 1 2 370.468 2.714 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001109028211 1000152565 /nfs/dbraw/zinc/15/25/65/1000152565.db2.gz MCTHCPINQZAZJN-ZFCZOSEKSA-N 1 2 370.468 2.714 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cccc(C)c1C ZINC001109043276 1000154881 /nfs/dbraw/zinc/15/48/81/1000154881.db2.gz PHIQORITBUHNIC-NEWSRXKRSA-N 1 2 355.482 2.930 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cccc(C)c1C ZINC001109043276 1000154883 /nfs/dbraw/zinc/15/48/83/1000154883.db2.gz PHIQORITBUHNIC-NEWSRXKRSA-N 1 2 355.482 2.930 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(-c2ccccc2)o1 ZINC001109088817 1000166130 /nfs/dbraw/zinc/16/61/30/1000166130.db2.gz SCLIPYGRFJQVKU-ORQFMDKSSA-N 1 2 350.422 2.723 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(-c2ccccc2)o1 ZINC001109088817 1000166131 /nfs/dbraw/zinc/16/61/31/1000166131.db2.gz SCLIPYGRFJQVKU-ORQFMDKSSA-N 1 2 350.422 2.723 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)c(F)c1 ZINC001109267596 1000209523 /nfs/dbraw/zinc/20/95/23/1000209523.db2.gz QTMCXCSPRMKESV-YENGBRFLSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)c(F)c1 ZINC001109267596 1000209527 /nfs/dbraw/zinc/20/95/27/1000209527.db2.gz QTMCXCSPRMKESV-YENGBRFLSA-N 1 2 364.848 2.739 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)C1CC1 ZINC001109295208 1000240659 /nfs/dbraw/zinc/24/06/59/1000240659.db2.gz ZXDSAVFAVUJVKX-ANULTFPQSA-N 1 2 370.468 2.714 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)C1CC1 ZINC001109295208 1000240664 /nfs/dbraw/zinc/24/06/64/1000240664.db2.gz ZXDSAVFAVUJVKX-ANULTFPQSA-N 1 2 370.468 2.714 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(F)C(F)(F)F)C3)cc1 ZINC001109310333 1000257251 /nfs/dbraw/zinc/25/72/51/1000257251.db2.gz FGZWYNYMENIHCP-CBBWQLFWSA-N 1 2 355.335 2.680 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(F)C(F)(F)F)C3)cc1 ZINC001109310333 1000257255 /nfs/dbraw/zinc/25/72/55/1000257255.db2.gz FGZWYNYMENIHCP-CBBWQLFWSA-N 1 2 355.335 2.680 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1F ZINC001109353200 1000298597 /nfs/dbraw/zinc/29/85/97/1000298597.db2.gz MESQPDPTMRYFSR-NEWSRXKRSA-N 1 2 373.472 2.520 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1F ZINC001109353200 1000298601 /nfs/dbraw/zinc/29/86/01/1000298601.db2.gz MESQPDPTMRYFSR-NEWSRXKRSA-N 1 2 373.472 2.520 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCCCC1 ZINC001109353605 1000299304 /nfs/dbraw/zinc/29/93/04/1000299304.db2.gz OZKOZWAHAKSSAT-QYZOEREBSA-N 1 2 361.530 2.761 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCCCC1 ZINC001109353605 1000299311 /nfs/dbraw/zinc/29/93/11/1000299311.db2.gz OZKOZWAHAKSSAT-QYZOEREBSA-N 1 2 361.530 2.761 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1C(=O)Nc3ccccc31)C2 ZINC001096650780 1016405697 /nfs/dbraw/zinc/40/56/97/1016405697.db2.gz XKKRVQAYMDQDQE-QCPWZWHMSA-N 1 2 359.857 2.586 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1C(=O)Nc3ccccc31)C2 ZINC001096650780 1016405701 /nfs/dbraw/zinc/40/57/01/1016405701.db2.gz XKKRVQAYMDQDQE-QCPWZWHMSA-N 1 2 359.857 2.586 20 30 FFEDLO COCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)CC1 ZINC001109387538 1000366624 /nfs/dbraw/zinc/36/66/24/1000366624.db2.gz RPZXMVVIZWQYJK-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO COCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)CC1 ZINC001109387538 1000366630 /nfs/dbraw/zinc/36/66/30/1000366630.db2.gz RPZXMVVIZWQYJK-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001091291343 1000377532 /nfs/dbraw/zinc/37/75/32/1000377532.db2.gz CBEXSAIGTNCXRU-ARFHVFGLSA-N 1 2 360.506 2.688 20 30 FFEDLO Cc1nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)ccc1C#N ZINC001091298916 1000384488 /nfs/dbraw/zinc/38/44/88/1000384488.db2.gz RXQPYZNMMNUCQX-MORSLUCNSA-N 1 2 366.469 2.703 20 30 FFEDLO Cc1nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)ccc1C#N ZINC001091298916 1000384492 /nfs/dbraw/zinc/38/44/92/1000384492.db2.gz RXQPYZNMMNUCQX-MORSLUCNSA-N 1 2 366.469 2.703 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC001091287950 1000391374 /nfs/dbraw/zinc/39/13/74/1000391374.db2.gz HXAUNWTZEXHVTE-QZTJIDSGSA-N 1 2 371.529 2.906 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001091287950 1000391377 /nfs/dbraw/zinc/39/13/77/1000391377.db2.gz HXAUNWTZEXHVTE-QZTJIDSGSA-N 1 2 371.529 2.906 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)nn1 ZINC000846896699 1000473843 /nfs/dbraw/zinc/47/38/43/1000473843.db2.gz DTRVCOGWMDPAOO-UHFFFAOYSA-N 1 2 361.490 2.830 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)nn1 ZINC000846896699 1000473846 /nfs/dbraw/zinc/47/38/46/1000473846.db2.gz DTRVCOGWMDPAOO-UHFFFAOYSA-N 1 2 361.490 2.830 20 30 FFEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000846985790 1000504942 /nfs/dbraw/zinc/50/49/42/1000504942.db2.gz HHAXMCJXFGKNQF-GJZGRUSLSA-N 1 2 368.437 2.818 20 30 FFEDLO CCOCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)CC1 ZINC001109465376 1000513199 /nfs/dbraw/zinc/51/31/99/1000513199.db2.gz YYTPPCJRRNKYRY-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO CCOCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)CC1 ZINC001109465376 1000513206 /nfs/dbraw/zinc/51/32/06/1000513206.db2.gz YYTPPCJRRNKYRY-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F)C1CCC1 ZINC001109574000 1000662759 /nfs/dbraw/zinc/66/27/59/1000662759.db2.gz RGJOINDBOCCBBX-BTHPGYMESA-N 1 2 371.456 2.734 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F)C1CCC1 ZINC001109574000 1000662762 /nfs/dbraw/zinc/66/27/62/1000662762.db2.gz RGJOINDBOCCBBX-BTHPGYMESA-N 1 2 371.456 2.734 20 30 FFEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CC[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001091564463 1000687935 /nfs/dbraw/zinc/68/79/35/1000687935.db2.gz DGRILAVAUVOPDY-YRNRMSPPSA-N 1 2 360.502 2.932 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCCCC1 ZINC001109605690 1000715578 /nfs/dbraw/zinc/71/55/78/1000715578.db2.gz MWWXACMHCZTFLA-SQNIBIBYSA-N 1 2 361.530 2.617 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCCCC1 ZINC001109605690 1000715582 /nfs/dbraw/zinc/71/55/82/1000715582.db2.gz MWWXACMHCZTFLA-SQNIBIBYSA-N 1 2 361.530 2.617 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1cccc(C)c1 ZINC001109605700 1000716062 /nfs/dbraw/zinc/71/60/62/1000716062.db2.gz NLWYGKMVHBLWJR-QYZOEREBSA-N 1 2 369.509 2.545 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1cccc(C)c1 ZINC001109605700 1000716069 /nfs/dbraw/zinc/71/60/69/1000716069.db2.gz NLWYGKMVHBLWJR-QYZOEREBSA-N 1 2 369.509 2.545 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F)C(C)C ZINC001109677038 1000820340 /nfs/dbraw/zinc/82/03/40/1000820340.db2.gz GHXWEMLXYRSKIG-XGXHKWSGSA-N 1 2 359.445 2.590 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F)C(C)C ZINC001109677038 1000820346 /nfs/dbraw/zinc/82/03/46/1000820346.db2.gz GHXWEMLXYRSKIG-XGXHKWSGSA-N 1 2 359.445 2.590 20 30 FFEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)CC)CC1 ZINC001109681718 1000835429 /nfs/dbraw/zinc/83/54/29/1000835429.db2.gz FOVFMJIIBWCJPB-IKGGRYGDSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)CC)CC1 ZINC001109681718 1000835438 /nfs/dbraw/zinc/83/54/38/1000835438.db2.gz FOVFMJIIBWCJPB-IKGGRYGDSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)C(C)C ZINC001109768009 1000974483 /nfs/dbraw/zinc/97/44/83/1000974483.db2.gz VACXTPQDMDSOAU-IKGGRYGDSA-N 1 2 370.559 2.524 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)C(C)C ZINC001109768009 1000974488 /nfs/dbraw/zinc/97/44/88/1000974488.db2.gz VACXTPQDMDSOAU-IKGGRYGDSA-N 1 2 370.559 2.524 20 30 FFEDLO Fc1ccc(OCC2N=NC(=S)N2N=Cc2cccc3[nH+]ccn32)cc1 ZINC000771097345 1001006423 /nfs/dbraw/zinc/00/64/23/1001006423.db2.gz JFCQFFBMWJHLGC-UHFFFAOYSA-N 1 2 368.397 2.815 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC001091680234 1001043399 /nfs/dbraw/zinc/04/33/99/1001043399.db2.gz WJKOTHSNVZNWLQ-CVEARBPZSA-N 1 2 368.485 2.596 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCn2cccc2)C3)c1 ZINC001109885657 1001117373 /nfs/dbraw/zinc/11/73/73/1001117373.db2.gz RUJBHIIQHHLSLW-HOJAQTOUSA-N 1 2 366.440 2.811 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCn2cccc2)C3)c1 ZINC001109885657 1001117380 /nfs/dbraw/zinc/11/73/80/1001117380.db2.gz RUJBHIIQHHLSLW-HOJAQTOUSA-N 1 2 366.440 2.811 20 30 FFEDLO Cc1nc(N2CC[C@H](c3ccccc3)[C@H](NC(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001091722651 1001146980 /nfs/dbraw/zinc/14/69/80/1001146980.db2.gz HYZFEGMERSHRAN-WOJBJXKFSA-N 1 2 362.477 2.923 20 30 FFEDLO CC(C)[C@@H](C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)[NH+](C)C ZINC000787964848 1001737295 /nfs/dbraw/zinc/73/72/95/1001737295.db2.gz ZDJYGQOPTABHLW-IBGZPJMESA-N 1 2 355.438 2.867 20 30 FFEDLO N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1Cl ZINC001110305097 1001898323 /nfs/dbraw/zinc/89/83/23/1001898323.db2.gz DSXLBVMYLAFEBQ-BMFZPTHFSA-N 1 2 367.877 2.957 20 30 FFEDLO N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1Cl ZINC001110305097 1001898338 /nfs/dbraw/zinc/89/83/38/1001898338.db2.gz DSXLBVMYLAFEBQ-BMFZPTHFSA-N 1 2 367.877 2.957 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CCN(c3[nH+]cnc4c3cnn4C)[C@@H]2CC)CCC1 ZINC001091824982 1001970503 /nfs/dbraw/zinc/97/05/03/1001970503.db2.gz YDMSCRMBWYAZOE-JKSUJKDBSA-N 1 2 368.485 2.583 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)o3)C[C@@]2(C)C1 ZINC001091911545 1002065360 /nfs/dbraw/zinc/06/53/60/1002065360.db2.gz VQNCMYZPKRTPTQ-QRWLVFNGSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)o3)C[C@@]2(C)C1 ZINC001091911545 1002065371 /nfs/dbraw/zinc/06/53/71/1002065371.db2.gz VQNCMYZPKRTPTQ-QRWLVFNGSA-N 1 2 358.486 2.830 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nc(CC4CC4)no3)C[C@@]2(C)C1 ZINC001091917708 1002069261 /nfs/dbraw/zinc/06/92/61/1002069261.db2.gz AXXKNHSDHKCHRA-QRWLVFNGSA-N 1 2 358.486 2.515 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(CC4CC4)no3)C[C@@]2(C)C1 ZINC001091917708 1002069272 /nfs/dbraw/zinc/06/92/72/1002069272.db2.gz AXXKNHSDHKCHRA-QRWLVFNGSA-N 1 2 358.486 2.515 20 30 FFEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@H](C#N)c1c(Cl)cccc1Cl ZINC001183128335 1002159432 /nfs/dbraw/zinc/15/94/32/1002159432.db2.gz RUFFFMXBAVEDSH-QWHCGFSZSA-N 1 2 370.280 2.828 20 30 FFEDLO C[C@H]1COCC[N@H+]1CCNC(=O)C[C@H](C#N)c1c(Cl)cccc1Cl ZINC001183128335 1002159434 /nfs/dbraw/zinc/15/94/34/1002159434.db2.gz RUFFFMXBAVEDSH-QWHCGFSZSA-N 1 2 370.280 2.828 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001091978569 1002240770 /nfs/dbraw/zinc/24/07/70/1002240770.db2.gz WBACVNQBEMGRJR-AHRSYUTCSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001091978569 1002240776 /nfs/dbraw/zinc/24/07/76/1002240776.db2.gz WBACVNQBEMGRJR-AHRSYUTCSA-N 1 2 359.518 2.742 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2O)CC1 ZINC000746885515 1002296890 /nfs/dbraw/zinc/29/68/90/1002296890.db2.gz ZUKXQMYZWNBYTE-UHFFFAOYSA-N 1 2 350.418 2.966 20 30 FFEDLO N#Cc1ccccc1CN1CCCC[C@@H]1C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001183828404 1002399500 /nfs/dbraw/zinc/39/95/00/1002399500.db2.gz GLBBRVBXTREGTD-OAQYLSRUSA-N 1 2 360.461 2.857 20 30 FFEDLO Cc1cc(C)n(CCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)n1 ZINC001183828720 1002402021 /nfs/dbraw/zinc/40/20/21/1002402021.db2.gz BQGOVWPTYVKAEF-HXUWFJFHSA-N 1 2 365.481 2.543 20 30 FFEDLO Cc1cc(C)n(CCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)n1 ZINC001183828720 1002402029 /nfs/dbraw/zinc/40/20/29/1002402029.db2.gz BQGOVWPTYVKAEF-HXUWFJFHSA-N 1 2 365.481 2.543 20 30 FFEDLO CCN(CCn1cccn1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183831023 1002404186 /nfs/dbraw/zinc/40/41/86/1002404186.db2.gz KVOJRHVYQPYSHA-FQEVSTJZSA-N 1 2 365.481 2.658 20 30 FFEDLO CCN(CCn1cccn1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183831023 1002404192 /nfs/dbraw/zinc/40/41/92/1002404192.db2.gz KVOJRHVYQPYSHA-FQEVSTJZSA-N 1 2 365.481 2.658 20 30 FFEDLO COC1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CC1 ZINC001183839250 1002407185 /nfs/dbraw/zinc/40/71/85/1002407185.db2.gz UKQJTGFHFCKKAA-MHJFOBGBSA-N 1 2 355.482 2.987 20 30 FFEDLO COC1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)CC1 ZINC001183839250 1002407189 /nfs/dbraw/zinc/40/71/89/1002407189.db2.gz UKQJTGFHFCKKAA-MHJFOBGBSA-N 1 2 355.482 2.987 20 30 FFEDLO N#Cc1ccccc1CN1CCCC[C@H]1C(=O)NCCOc1cc[nH+]cc1 ZINC001183840229 1002407236 /nfs/dbraw/zinc/40/72/36/1002407236.db2.gz RGMMNAYRNVVKFM-FQEVSTJZSA-N 1 2 364.449 2.503 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)NCCC1CCC(O)CC1 ZINC001183842511 1002408846 /nfs/dbraw/zinc/40/88/46/1002408846.db2.gz VBDSGWRSBSHAPW-JITJBCMDSA-N 1 2 369.509 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)NCCC1CCC(O)CC1 ZINC001183842511 1002408851 /nfs/dbraw/zinc/40/88/51/1002408851.db2.gz VBDSGWRSBSHAPW-JITJBCMDSA-N 1 2 369.509 2.970 20 30 FFEDLO CC/C=C\CC[N@@H+]1C[C@]2(F)CN(Cc3cccc(C#N)c3)C(=O)[C@]2(F)C1 ZINC001276255054 1016629912 /nfs/dbraw/zinc/62/99/12/1016629912.db2.gz KDTJIVJDPHXFSD-FPMVPNIMSA-N 1 2 359.420 2.989 20 30 FFEDLO CC/C=C\CC[N@H+]1C[C@]2(F)CN(Cc3cccc(C#N)c3)C(=O)[C@]2(F)C1 ZINC001276255054 1016629917 /nfs/dbraw/zinc/62/99/17/1016629917.db2.gz KDTJIVJDPHXFSD-FPMVPNIMSA-N 1 2 359.420 2.989 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110351796 1002672098 /nfs/dbraw/zinc/67/20/98/1002672098.db2.gz JDRMHRLSAVRCTN-XLNTUCKNSA-N 1 2 355.482 2.841 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110351796 1002672105 /nfs/dbraw/zinc/67/21/05/1002672105.db2.gz JDRMHRLSAVRCTN-XLNTUCKNSA-N 1 2 355.482 2.841 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2ccc(F)cc2F)CC1 ZINC001001162849 1016672215 /nfs/dbraw/zinc/67/22/15/1016672215.db2.gz JQJFLETZHBGVCD-MJGOQNOKSA-N 1 2 362.420 2.804 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2ccc(F)cc2F)CC1 ZINC001001162849 1016672221 /nfs/dbraw/zinc/67/22/21/1016672221.db2.gz JQJFLETZHBGVCD-MJGOQNOKSA-N 1 2 362.420 2.804 20 30 FFEDLO C=CCO[C@H](C)C(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001092376906 1002791629 /nfs/dbraw/zinc/79/16/29/1002791629.db2.gz PHRODKKHBJPVOH-DJIMGWMZSA-N 1 2 360.502 2.688 20 30 FFEDLO C=CCO[C@H](C)C(=O)NCC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001092526008 1003057826 /nfs/dbraw/zinc/05/78/26/1003057826.db2.gz SXNIZJKPUDUEGN-MZMPZRCHSA-N 1 2 360.502 2.572 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)Nc1cccc(F)c1 ZINC001110371439 1003098517 /nfs/dbraw/zinc/09/85/17/1003098517.db2.gz MQBUPLIYJYUSOD-PILAGYSTSA-N 1 2 359.445 2.840 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)Nc1cccc(F)c1 ZINC001110371439 1003098530 /nfs/dbraw/zinc/09/85/30/1003098530.db2.gz MQBUPLIYJYUSOD-PILAGYSTSA-N 1 2 359.445 2.840 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(CC)noc1CC)C2 ZINC001095549258 1016727076 /nfs/dbraw/zinc/72/70/76/1016727076.db2.gz ZEALGQHXUKLQRI-KCXAZCMYSA-N 1 2 351.878 2.816 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(CC)noc1CC)C2 ZINC001095549258 1016727092 /nfs/dbraw/zinc/72/70/92/1016727092.db2.gz ZEALGQHXUKLQRI-KCXAZCMYSA-N 1 2 351.878 2.816 20 30 FFEDLO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186049111 1003175085 /nfs/dbraw/zinc/17/50/85/1003175085.db2.gz KJFDCXYGKXGECO-HNNXBMFYSA-N 1 2 350.922 2.574 20 30 FFEDLO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186049111 1003175090 /nfs/dbraw/zinc/17/50/90/1003175090.db2.gz KJFDCXYGKXGECO-HNNXBMFYSA-N 1 2 350.922 2.574 20 30 FFEDLO CC[C@H](C)CC[C@@H](O)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000792834623 1003198914 /nfs/dbraw/zinc/19/89/14/1003198914.db2.gz UVALFJWOSVBFJE-FXAWDEMLSA-N 1 2 357.498 2.780 20 30 FFEDLO Cn1cc(C[NH+]2CC(O)(c3ccc(F)cc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000792876627 1003216345 /nfs/dbraw/zinc/21/63/45/1003216345.db2.gz AUILZIMAMRPLOE-UHFFFAOYSA-N 1 2 362.408 2.801 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113918060 1003232335 /nfs/dbraw/zinc/23/23/35/1003232335.db2.gz BKQDRBDPVBKNAQ-BQFCYCMXSA-N 1 2 360.502 2.831 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001092622045 1003323731 /nfs/dbraw/zinc/32/37/31/1003323731.db2.gz IYCVEXBVGKDGHC-UWWQBHOKSA-N 1 2 370.497 2.597 20 30 FFEDLO Cc1cc(NC[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC001092630242 1003341873 /nfs/dbraw/zinc/34/18/73/1003341873.db2.gz FAYKCIWZCGHLGZ-UKRRQHHQSA-N 1 2 361.515 2.672 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCCC)CCCCC1 ZINC001110135780 1003496514 /nfs/dbraw/zinc/49/65/14/1003496514.db2.gz UNSCNHRCOUPTEG-SQNIBIBYSA-N 1 2 361.530 2.761 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCCC)CCCCC1 ZINC001110135780 1003496518 /nfs/dbraw/zinc/49/65/18/1003496518.db2.gz UNSCNHRCOUPTEG-SQNIBIBYSA-N 1 2 361.530 2.761 20 30 FFEDLO C[C@@H](c1ncccn1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC#Cc1ccccc1)C2 ZINC001110135970 1003499688 /nfs/dbraw/zinc/49/96/88/1003499688.db2.gz YSZFGNOIRTWQOT-RNQOJCNYSA-N 1 2 360.461 2.701 20 30 FFEDLO C[C@@H](c1ncccn1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC#Cc1ccccc1)C2 ZINC001110135970 1003499690 /nfs/dbraw/zinc/49/96/90/1003499690.db2.gz YSZFGNOIRTWQOT-RNQOJCNYSA-N 1 2 360.461 2.701 20 30 FFEDLO O=C(Cc1cncs1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001095577018 1016786455 /nfs/dbraw/zinc/78/64/55/1016786455.db2.gz SJWFEDBBQYSWRB-NEWSRXKRSA-N 1 2 369.465 2.598 20 30 FFEDLO O=C(Cc1cncs1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001095577018 1016786462 /nfs/dbraw/zinc/78/64/62/1016786462.db2.gz SJWFEDBBQYSWRB-NEWSRXKRSA-N 1 2 369.465 2.598 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O)CC(C)(C)C ZINC001196392019 1003759725 /nfs/dbraw/zinc/75/97/25/1003759725.db2.gz LNKQZIKGFLIDSG-ATZDWAIDSA-N 1 2 357.498 2.682 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O)CC(C)(C)C ZINC001196392019 1003759727 /nfs/dbraw/zinc/75/97/27/1003759727.db2.gz LNKQZIKGFLIDSG-ATZDWAIDSA-N 1 2 357.498 2.682 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)n1cccc1 ZINC001096958380 1016827841 /nfs/dbraw/zinc/82/78/41/1016827841.db2.gz AQIDGFVTLZADKD-ZXNZYJFHSA-N 1 2 365.452 2.961 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)n1cccc1 ZINC001096958380 1016827852 /nfs/dbraw/zinc/82/78/52/1016827852.db2.gz AQIDGFVTLZADKD-ZXNZYJFHSA-N 1 2 365.452 2.961 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1nc(-c2ccco2)no1 ZINC001110497496 1004418744 /nfs/dbraw/zinc/41/87/44/1004418744.db2.gz WZOLPUPTMCOAAG-JJXSEGSLSA-N 1 2 368.437 2.916 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1nc(-c2ccco2)no1 ZINC001110497496 1004418747 /nfs/dbraw/zinc/41/87/47/1004418747.db2.gz WZOLPUPTMCOAAG-JJXSEGSLSA-N 1 2 368.437 2.916 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2conc2CC)C[C@H]1O ZINC001198081285 1004474434 /nfs/dbraw/zinc/47/44/34/1004474434.db2.gz NTEBPENQLSJQOH-QZTJIDSGSA-N 1 2 351.491 2.649 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2conc2CC)C[C@H]1O ZINC001198081285 1004474438 /nfs/dbraw/zinc/47/44/38/1004474438.db2.gz NTEBPENQLSJQOH-QZTJIDSGSA-N 1 2 351.491 2.649 20 30 FFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 ZINC001193920344 1004615552 /nfs/dbraw/zinc/61/55/52/1004615552.db2.gz MEQVTHWKOWMQQG-CHWSQXEVSA-N 1 2 362.495 2.942 20 30 FFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 ZINC001193920344 1004615556 /nfs/dbraw/zinc/61/55/56/1004615556.db2.gz MEQVTHWKOWMQQG-CHWSQXEVSA-N 1 2 362.495 2.942 20 30 FFEDLO COc1ccc(CNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1C#N ZINC000747431479 1004711583 /nfs/dbraw/zinc/71/15/83/1004711583.db2.gz JFHXSWLLSJKKII-UHFFFAOYSA-N 1 2 368.437 2.929 20 30 FFEDLO Cc1ccn(C[N@@H+]2CCCC[C@H]2CCNC(=O)OC(C)(C)C)c(=O)c1C#N ZINC000808189590 1004770476 /nfs/dbraw/zinc/77/04/76/1004770476.db2.gz VGWRTXMAKSVBDX-INIZCTEOSA-N 1 2 374.485 2.755 20 30 FFEDLO Cc1ccn(C[N@H+]2CCCC[C@H]2CCNC(=O)OC(C)(C)C)c(=O)c1C#N ZINC000808189590 1004770483 /nfs/dbraw/zinc/77/04/83/1004770483.db2.gz VGWRTXMAKSVBDX-INIZCTEOSA-N 1 2 374.485 2.755 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCOCC1)C2 ZINC001097019507 1016906728 /nfs/dbraw/zinc/90/67/28/1016906728.db2.gz FYKLMLDGXMUAHN-XLNTUCKNSA-N 1 2 353.466 2.596 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCOCC1)C2 ZINC001097019507 1016906737 /nfs/dbraw/zinc/90/67/37/1016906737.db2.gz FYKLMLDGXMUAHN-XLNTUCKNSA-N 1 2 353.466 2.596 20 30 FFEDLO CC(C)(C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110464233 1004861162 /nfs/dbraw/zinc/86/11/62/1004861162.db2.gz NNQADJJGLZTGIY-NXHRZFHOSA-N 1 2 359.445 2.734 20 30 FFEDLO CC(C)(C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110464233 1004861172 /nfs/dbraw/zinc/86/11/72/1004861172.db2.gz NNQADJJGLZTGIY-NXHRZFHOSA-N 1 2 359.445 2.734 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC001195251142 1004923264 /nfs/dbraw/zinc/92/32/64/1004923264.db2.gz QZPDGFZZPAQUDU-GOSISDBHSA-N 1 2 371.481 2.716 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC001195251142 1004923269 /nfs/dbraw/zinc/92/32/69/1004923269.db2.gz QZPDGFZZPAQUDU-GOSISDBHSA-N 1 2 371.481 2.716 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@H]1O ZINC001195306685 1004937192 /nfs/dbraw/zinc/93/71/92/1004937192.db2.gz DCOSZEJSHSLZEB-GDIGMMSISA-N 1 2 364.436 2.771 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@H]1O ZINC001195306685 1004937199 /nfs/dbraw/zinc/93/71/99/1004937199.db2.gz DCOSZEJSHSLZEB-GDIGMMSISA-N 1 2 364.436 2.771 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](CC)c2ccc(F)cc2F)C[C@H]1O ZINC001195312908 1004940193 /nfs/dbraw/zinc/94/01/93/1004940193.db2.gz XRELEKNJTSULQG-IXDOHACOSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](CC)c2ccc(F)cc2F)C[C@H]1O ZINC001195312908 1004940198 /nfs/dbraw/zinc/94/01/98/1004940198.db2.gz XRELEKNJTSULQG-IXDOHACOSA-N 1 2 352.425 2.789 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@H]1O ZINC001195555212 1004982442 /nfs/dbraw/zinc/98/24/42/1004982442.db2.gz ZNDKSOCNKDQRSG-FSPWUOQZSA-N 1 2 368.880 2.785 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)C[C@H]1O ZINC001195555212 1004982446 /nfs/dbraw/zinc/98/24/46/1004982446.db2.gz ZNDKSOCNKDQRSG-FSPWUOQZSA-N 1 2 368.880 2.785 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F)C(C)C ZINC001110547485 1005081321 /nfs/dbraw/zinc/08/13/21/1005081321.db2.gz MFLOKCRJADALFZ-RSPOEFSDSA-N 1 2 373.472 2.980 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F)C(C)C ZINC001110547485 1005081325 /nfs/dbraw/zinc/08/13/25/1005081325.db2.gz MFLOKCRJADALFZ-RSPOEFSDSA-N 1 2 373.472 2.980 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(Cl)c1 ZINC001110553485 1005111648 /nfs/dbraw/zinc/11/16/48/1005111648.db2.gz RTHOXSNRZYHFIN-OLMNPRSZSA-N 1 2 364.848 2.741 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(Cl)c1 ZINC001110553485 1005111652 /nfs/dbraw/zinc/11/16/52/1005111652.db2.gz RTHOXSNRZYHFIN-OLMNPRSZSA-N 1 2 364.848 2.741 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776280434 1005346159 /nfs/dbraw/zinc/34/61/59/1005346159.db2.gz ZSCBALWSGUJCPB-VQTJNVASSA-N 1 2 366.421 2.511 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C)CCC)C1 ZINC001489089701 1005417407 /nfs/dbraw/zinc/41/74/07/1005417407.db2.gz ATVACIARTNUKCV-MISYRCLQSA-N 1 2 371.525 2.699 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C)CCC)C1 ZINC001489089701 1005417409 /nfs/dbraw/zinc/41/74/09/1005417409.db2.gz ATVACIARTNUKCV-MISYRCLQSA-N 1 2 371.525 2.699 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCC1 ZINC001110598665 1005425089 /nfs/dbraw/zinc/42/50/89/1005425089.db2.gz HBQFVGMPKFBOPA-KURKYZTESA-N 1 2 361.530 2.759 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCC1 ZINC001110598665 1005425091 /nfs/dbraw/zinc/42/50/91/1005425091.db2.gz HBQFVGMPKFBOPA-KURKYZTESA-N 1 2 361.530 2.759 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@H+](Cc2ccn(CC(F)(F)F)n2)[C@@H]1C ZINC001489286546 1005449023 /nfs/dbraw/zinc/44/90/23/1005449023.db2.gz PCVWBNUHONAQEO-ZBFHGGJFSA-N 1 2 370.419 2.718 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccn(CC(F)(F)F)n2)[C@@H]1C ZINC001489286546 1005449025 /nfs/dbraw/zinc/44/90/25/1005449025.db2.gz PCVWBNUHONAQEO-ZBFHGGJFSA-N 1 2 370.419 2.718 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001489696668 1005548076 /nfs/dbraw/zinc/54/80/76/1005548076.db2.gz APOYQFQZQGKPAU-IAGOWNOFSA-N 1 2 358.486 2.632 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001489696668 1005548079 /nfs/dbraw/zinc/54/80/79/1005548079.db2.gz APOYQFQZQGKPAU-IAGOWNOFSA-N 1 2 358.486 2.632 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@]2(C)C1 ZINC001490227281 1005673125 /nfs/dbraw/zinc/67/31/25/1005673125.db2.gz KZUSIMCAZOKTDQ-IERDGZPVSA-N 1 2 366.465 2.840 20 30 FFEDLO C=CCCC1(CNC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CCCC1 ZINC000850662012 1005830024 /nfs/dbraw/zinc/83/00/24/1005830024.db2.gz CWBZDLHEPHMEHB-KRWDZBQOSA-N 1 2 372.513 2.769 20 30 FFEDLO CN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@H](C#N)c1ccccc1 ZINC000851777942 1005913184 /nfs/dbraw/zinc/91/31/84/1005913184.db2.gz BQSMZVRRTSZTMF-GOSISDBHSA-N 1 2 358.486 2.736 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN([C@@H](C#N)c3ccccc3)C2)CC1 ZINC000852044233 1005936257 /nfs/dbraw/zinc/93/62/57/1005936257.db2.gz AMQMDMBFTFKKJI-OALUTQOASA-N 1 2 370.497 2.878 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(Cl)ccc1F ZINC001110391433 1005959970 /nfs/dbraw/zinc/95/99/70/1005959970.db2.gz MSSNEGBHNGJEEV-OIISXLGYSA-N 1 2 352.837 2.903 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(Cl)ccc1F ZINC001110391433 1005959972 /nfs/dbraw/zinc/95/99/72/1005959972.db2.gz MSSNEGBHNGJEEV-OIISXLGYSA-N 1 2 352.837 2.903 20 30 FFEDLO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@H](CC#N)C3)cc2)C[C@H](C)O1 ZINC000852319576 1005976131 /nfs/dbraw/zinc/97/61/31/1005976131.db2.gz PJZXESJGVNTGQM-KSZLIROESA-N 1 2 370.497 2.864 20 30 FFEDLO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H](CC#N)C3)cc2)C[C@H](C)O1 ZINC000852319576 1005976141 /nfs/dbraw/zinc/97/61/41/1005976141.db2.gz PJZXESJGVNTGQM-KSZLIROESA-N 1 2 370.497 2.864 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nc(-c4ccco4)no3)C[C@H]21 ZINC001187209175 1005979973 /nfs/dbraw/zinc/97/99/73/1005979973.db2.gz LFIRKBQVYBVGDD-QLFBSQMISA-N 1 2 356.426 2.890 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nc(-c4ccco4)no3)C[C@H]21 ZINC001187209175 1005979979 /nfs/dbraw/zinc/97/99/79/1005979979.db2.gz LFIRKBQVYBVGDD-QLFBSQMISA-N 1 2 356.426 2.890 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001187217419 1005985075 /nfs/dbraw/zinc/98/50/75/1005985075.db2.gz RQKRVOYVJZZMGZ-HYVNUMGLSA-N 1 2 359.470 2.566 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001187217419 1005985084 /nfs/dbraw/zinc/98/50/84/1005985084.db2.gz RQKRVOYVJZZMGZ-HYVNUMGLSA-N 1 2 359.470 2.566 20 30 FFEDLO N#CCOc1ccc(CC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000110625278 1006031915 /nfs/dbraw/zinc/03/19/15/1006031915.db2.gz HMYLTHRJNSLDCC-UHFFFAOYSA-N 1 2 360.417 2.693 20 30 FFEDLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000852525846 1006066345 /nfs/dbraw/zinc/06/63/45/1006066345.db2.gz UZXPDBRLMNPDPJ-UHFFFAOYSA-N 1 2 372.425 2.956 20 30 FFEDLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@H+]2Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000852525846 1006066351 /nfs/dbraw/zinc/06/63/51/1006066351.db2.gz UZXPDBRLMNPDPJ-UHFFFAOYSA-N 1 2 372.425 2.956 20 30 FFEDLO C=CCCOCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC001187919634 1006317903 /nfs/dbraw/zinc/31/79/03/1006317903.db2.gz OWQAIEUKODRGNQ-DLBZAZTESA-N 1 2 363.527 2.939 20 30 FFEDLO C=CCCOCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21 ZINC001187919634 1006317913 /nfs/dbraw/zinc/31/79/13/1006317913.db2.gz OWQAIEUKODRGNQ-DLBZAZTESA-N 1 2 363.527 2.939 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4ccoc4)no3)C[C@H]21 ZINC001188080926 1006401618 /nfs/dbraw/zinc/40/16/18/1006401618.db2.gz PZVVFLJMFSWUML-GOEBONIOSA-N 1 2 356.426 2.719 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4ccoc4)no3)C[C@H]21 ZINC001188080926 1006401623 /nfs/dbraw/zinc/40/16/23/1006401623.db2.gz PZVVFLJMFSWUML-GOEBONIOSA-N 1 2 356.426 2.719 20 30 FFEDLO CC(C)(C[NH+]1CCOCC1)Nc1nccc(Oc2cccc(C#N)c2)n1 ZINC000882461518 1006405669 /nfs/dbraw/zinc/40/56/69/1006405669.db2.gz VDCXKEZSKUCIFK-UHFFFAOYSA-N 1 2 353.426 2.663 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1cnc3c(C#N)c[nH]c3c1)C[NH2+]C2(C)C ZINC001170761970 1006419861 /nfs/dbraw/zinc/41/98/61/1006419861.db2.gz ZHBNDZKMBHQTPL-UHFFFAOYSA-N 1 2 365.397 2.718 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CN3CC[C@H](C4CCCCC4)C3=O)C2)nc1 ZINC000853514240 1006422895 /nfs/dbraw/zinc/42/28/95/1006422895.db2.gz GVQLJWWFTDLCGG-RBUKOAKNSA-N 1 2 368.481 2.793 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CN3CC[C@H](C4CCCCC4)C3=O)C2)nc1 ZINC000853514240 1006422903 /nfs/dbraw/zinc/42/29/03/1006422903.db2.gz GVQLJWWFTDLCGG-RBUKOAKNSA-N 1 2 368.481 2.793 20 30 FFEDLO N#Cc1cnc(NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)c(Cl)c1 ZINC001057448950 1017049767 /nfs/dbraw/zinc/04/97/67/1017049767.db2.gz MNCVZQTZVXXVCX-ZIAGYGMSSA-N 1 2 370.844 2.536 20 30 FFEDLO N#Cc1cnc(NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)c(Cl)c1 ZINC001057448950 1017049795 /nfs/dbraw/zinc/04/97/95/1017049795.db2.gz MNCVZQTZVXXVCX-ZIAGYGMSSA-N 1 2 370.844 2.536 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000854082483 1006669006 /nfs/dbraw/zinc/66/90/06/1006669006.db2.gz HJTMXBFMTLHTAT-OAHLLOKOSA-N 1 2 369.469 2.518 20 30 FFEDLO C=CCOc1ccc(/C=C\C(=O)OCC[N@@H+]2CCO[C@@H](C)C2)cc1OC ZINC000800080058 1007163370 /nfs/dbraw/zinc/16/33/70/1007163370.db2.gz PCNWRRICTICICE-IOBAAEILSA-N 1 2 361.438 2.537 20 30 FFEDLO C=CCOc1ccc(/C=C\C(=O)OCC[N@H+]2CCO[C@@H](C)C2)cc1OC ZINC000800080058 1007163374 /nfs/dbraw/zinc/16/33/74/1007163374.db2.gz PCNWRRICTICICE-IOBAAEILSA-N 1 2 361.438 2.537 20 30 FFEDLO C=CCC1(O)CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000884044735 1007175091 /nfs/dbraw/zinc/17/50/91/1007175091.db2.gz SGVGCSGKODVDLR-UHFFFAOYSA-N 1 2 354.454 2.544 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000884102714 1007239292 /nfs/dbraw/zinc/23/92/92/1007239292.db2.gz KUDAEGKCXVLBEI-DOMZBBRYSA-N 1 2 373.478 2.742 20 30 FFEDLO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)ccc1OC ZINC000113308899 1007319454 /nfs/dbraw/zinc/31/94/54/1007319454.db2.gz OAYGJSWRZSOHDJ-LPHOPBHVSA-N 1 2 371.412 2.831 20 30 FFEDLO Cc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)CC#Cc4ccccc4)[C@@H]3C2)oc1C ZINC001190305176 1007561376 /nfs/dbraw/zinc/56/13/76/1007561376.db2.gz JKLRBOBBKPVOEJ-VQTJNVASSA-N 1 2 363.461 2.766 20 30 FFEDLO Cc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)CC#Cc4ccccc4)[C@@H]3C2)oc1C ZINC001190305176 1007561388 /nfs/dbraw/zinc/56/13/88/1007561388.db2.gz JKLRBOBBKPVOEJ-VQTJNVASSA-N 1 2 363.461 2.766 20 30 FFEDLO C=CCC1(S(=O)(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)CC1 ZINC001190836266 1007802735 /nfs/dbraw/zinc/80/27/35/1007802735.db2.gz NCFLWNGISCKTBK-UHFFFAOYSA-N 1 2 359.495 2.551 20 30 FFEDLO C#Cc1ccc(CNC(=O)c2ccc(C[NH+]3CCN(CC)CC3)cc2)cc1 ZINC001190865382 1007818118 /nfs/dbraw/zinc/81/81/18/1007818118.db2.gz ALKKHOIBZKHYCU-UHFFFAOYSA-N 1 2 361.489 2.735 20 30 FFEDLO CCCC[C@@H](CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001191239020 1007946468 /nfs/dbraw/zinc/94/64/68/1007946468.db2.gz WESIBVQXQWCCHZ-ATZDWAIDSA-N 1 2 361.461 2.575 20 30 FFEDLO CCCC[C@@H](CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001191239020 1007946473 /nfs/dbraw/zinc/94/64/73/1007946473.db2.gz WESIBVQXQWCCHZ-ATZDWAIDSA-N 1 2 361.461 2.575 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC)o1)C2 ZINC001110725072 1008161616 /nfs/dbraw/zinc/16/16/16/1008161616.db2.gz KRAKNQBPRPHKJO-NXHRZFHOSA-N 1 2 373.497 2.602 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC)o1)C2 ZINC001110725072 1008161621 /nfs/dbraw/zinc/16/16/21/1008161621.db2.gz KRAKNQBPRPHKJO-NXHRZFHOSA-N 1 2 373.497 2.602 20 30 FFEDLO Cc1cc(C)c(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)c[nH+]1 ZINC000819559428 1008190239 /nfs/dbraw/zinc/19/02/39/1008190239.db2.gz KQJFMBKLVVVKPO-INIZCTEOSA-N 1 2 360.458 2.902 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1Nc1ccc([NH+]2CCC(C(N)=O)CC2)cc1 ZINC000819911461 1008248893 /nfs/dbraw/zinc/24/88/93/1008248893.db2.gz GSOXDQBQERHSRJ-UHFFFAOYSA-N 1 2 365.393 2.912 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857996191 1008273068 /nfs/dbraw/zinc/27/30/68/1008273068.db2.gz ROARXCNSYCDALC-UHFFFAOYSA-N 1 2 366.421 2.888 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858048874 1008289965 /nfs/dbraw/zinc/28/99/65/1008289965.db2.gz FHCMRVQWDCQEHM-IBGZPJMESA-N 1 2 362.433 2.922 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858048874 1008289971 /nfs/dbraw/zinc/28/99/71/1008289971.db2.gz FHCMRVQWDCQEHM-IBGZPJMESA-N 1 2 362.433 2.922 20 30 FFEDLO C#C[C@@H](CCC)NC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000820641426 1008355263 /nfs/dbraw/zinc/35/52/63/1008355263.db2.gz UQRBSAZSWXJKDN-QUCCMNQESA-N 1 2 357.498 2.721 20 30 FFEDLO C#C[C@@H](CCC)NC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000820641425 1008355280 /nfs/dbraw/zinc/35/52/80/1008355280.db2.gz UQRBSAZSWXJKDN-ICSRJNTNSA-N 1 2 357.498 2.721 20 30 FFEDLO C#CCN(CC(=O)Nc1ccccc1-n1cc[nH+]c1)C(=O)OC(C)(C)C ZINC000821324542 1008440903 /nfs/dbraw/zinc/44/09/03/1008440903.db2.gz ANKQYVFQIVYSFQ-UHFFFAOYSA-N 1 2 354.410 2.681 20 30 FFEDLO C#CC[C@@H](CCOC)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000859025594 1008466335 /nfs/dbraw/zinc/46/63/35/1008466335.db2.gz VSZOWGFETLKCGM-ICSRJNTNSA-N 1 2 368.481 2.969 20 30 FFEDLO Cc1nscc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001095336300 1008632752 /nfs/dbraw/zinc/63/27/52/1008632752.db2.gz VGMQJXQGWPWGFW-NEWSRXKRSA-N 1 2 351.475 2.838 20 30 FFEDLO Cc1nscc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001095336300 1008632754 /nfs/dbraw/zinc/63/27/54/1008632754.db2.gz VGMQJXQGWPWGFW-NEWSRXKRSA-N 1 2 351.475 2.838 20 30 FFEDLO C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001177547011 1008656324 /nfs/dbraw/zinc/65/63/24/1008656324.db2.gz MSFGWLJNWVTZHN-NHCUHLMSSA-N 1 2 368.521 2.767 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2c(C)nnn2CC)CCCC1 ZINC001110212878 1008703421 /nfs/dbraw/zinc/70/34/21/1008703421.db2.gz SWNUBPNPDBLKIR-SQNIBIBYSA-N 1 2 371.529 2.964 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2c(C)nnn2CC)CCCC1 ZINC001110212878 1008703434 /nfs/dbraw/zinc/70/34/34/1008703434.db2.gz SWNUBPNPDBLKIR-SQNIBIBYSA-N 1 2 371.529 2.964 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000859885709 1008709586 /nfs/dbraw/zinc/70/95/86/1008709586.db2.gz LWNAZSQENPBANC-GGNFLRSCSA-N 1 2 372.534 2.852 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000859885709 1008709601 /nfs/dbraw/zinc/70/96/01/1008709601.db2.gz LWNAZSQENPBANC-GGNFLRSCSA-N 1 2 372.534 2.852 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)cn1)C2 ZINC001095341512 1008753844 /nfs/dbraw/zinc/75/38/44/1008753844.db2.gz FBNFSGBQOMMMLJ-NEWSRXKRSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)cn1)C2 ZINC001095341512 1008753854 /nfs/dbraw/zinc/75/38/54/1008753854.db2.gz FBNFSGBQOMMMLJ-NEWSRXKRSA-N 1 2 350.397 2.628 20 30 FFEDLO C=CCC1(O)CC[NH+](CC(=O)c2cc(C)n(-c3cc(C)on3)c2C)CC1 ZINC000886760129 1008863395 /nfs/dbraw/zinc/86/33/95/1008863395.db2.gz ZLFBLVZIGPRCNZ-UHFFFAOYSA-N 1 2 357.454 2.976 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)ns1 ZINC001095359198 1008966656 /nfs/dbraw/zinc/96/66/56/1008966656.db2.gz BMNDJQNJVNVZJA-AOIWGVFYSA-N 1 2 369.465 2.977 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)ns1 ZINC001095359198 1008966672 /nfs/dbraw/zinc/96/66/72/1008966672.db2.gz BMNDJQNJVNVZJA-AOIWGVFYSA-N 1 2 369.465 2.977 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000860467203 1009016383 /nfs/dbraw/zinc/01/63/83/1009016383.db2.gz GLXRPCKULXZJSC-ZHALLVOQSA-N 1 2 373.497 2.846 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CCOc2c(Cl)cccc2Cl)C[C@H]1C ZINC001206659037 1032376419 /nfs/dbraw/zinc/37/64/19/1032376419.db2.gz AZTRPRHWJDIGBX-LALPHHSUSA-N 1 2 370.280 2.968 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](CCOc2c(Cl)cccc2Cl)C[C@H]1C ZINC001206659037 1032376425 /nfs/dbraw/zinc/37/64/25/1032376425.db2.gz AZTRPRHWJDIGBX-LALPHHSUSA-N 1 2 370.280 2.968 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2cccnc2)C3)c(F)c1 ZINC001095316798 1009307353 /nfs/dbraw/zinc/30/73/53/1009307353.db2.gz VBIILERVINDQDT-HOJAQTOUSA-N 1 2 364.424 2.557 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2cccnc2)C3)c(F)c1 ZINC001095316798 1009307373 /nfs/dbraw/zinc/30/73/73/1009307373.db2.gz VBIILERVINDQDT-HOJAQTOUSA-N 1 2 364.424 2.557 20 30 FFEDLO C#CCC1(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CCOCC1 ZINC000887762226 1009570229 /nfs/dbraw/zinc/57/02/29/1009570229.db2.gz QPHOPNQPAIUSNO-UHFFFAOYSA-N 1 2 368.437 2.656 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001093033358 1009698393 /nfs/dbraw/zinc/69/83/93/1009698393.db2.gz TZFUMLJBRRAIKK-WIRSXHRWSA-N 1 2 372.513 2.857 20 30 FFEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000862171772 1009730802 /nfs/dbraw/zinc/73/08/02/1009730802.db2.gz QOJPENQRPQDTMI-SJORKVTESA-N 1 2 355.482 2.595 20 30 FFEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000862171772 1009730817 /nfs/dbraw/zinc/73/08/17/1009730817.db2.gz QOJPENQRPQDTMI-SJORKVTESA-N 1 2 355.482 2.595 20 30 FFEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171418877 1010378153 /nfs/dbraw/zinc/37/81/53/1010378153.db2.gz NJHIDRHVHPMPMP-FXAWDEMLSA-N 1 2 352.409 2.929 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2(C)CC2)C3)c1 ZINC001110833350 1010478072 /nfs/dbraw/zinc/47/80/72/1010478072.db2.gz YEEMAGPJDQRUQN-QRVBRYPASA-N 1 2 365.477 2.518 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2(C)CC2)C3)c1 ZINC001110833350 1010478082 /nfs/dbraw/zinc/47/80/82/1010478082.db2.gz YEEMAGPJDQRUQN-QRVBRYPASA-N 1 2 365.477 2.518 20 30 FFEDLO Cc1ccc([C@H](C[NH2+][C@H](C)c2cccc(C#N)c2O)N2CCOCC2)o1 ZINC000866220516 1010953379 /nfs/dbraw/zinc/95/33/79/1010953379.db2.gz GSGTVIKFBJSOJW-QAPCUYQASA-N 1 2 355.438 2.889 20 30 FFEDLO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)c1 ZINC000866236910 1010957857 /nfs/dbraw/zinc/95/78/57/1010957857.db2.gz ADNFNZQVCGFKMR-CQSZACIVSA-N 1 2 353.422 2.630 20 30 FFEDLO C[C@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1cccc(C#N)c1O ZINC000866398819 1010987467 /nfs/dbraw/zinc/98/74/67/1010987467.db2.gz ROQOOVDQORUPNN-DZGCQCFKSA-N 1 2 361.442 2.550 20 30 FFEDLO COc1c(C)c[nH+]c(CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)c1C ZINC000868182010 1011191870 /nfs/dbraw/zinc/19/18/70/1011191870.db2.gz NQUVUPLREKRGKI-KRWDZBQOSA-N 1 2 350.422 2.545 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC23CCCC3)cc1C#N ZINC001274361466 1011396181 /nfs/dbraw/zinc/39/61/81/1011396181.db2.gz GXBMFZKDXLTYNN-SCTDSRPQSA-N 1 2 352.482 2.652 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC23CCCC3)cc1C#N ZINC001274361466 1011396188 /nfs/dbraw/zinc/39/61/88/1011396188.db2.gz GXBMFZKDXLTYNN-SCTDSRPQSA-N 1 2 352.482 2.652 20 30 FFEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)C[C@H](O)c1cccc(C#N)c1 ZINC001171791837 1011479477 /nfs/dbraw/zinc/47/94/77/1011479477.db2.gz QBQWQEBGCCKFAK-KRWDZBQOSA-N 1 2 361.804 2.955 20 30 FFEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1F)C[C@H](O)c1cccc(C#N)c1 ZINC001171791837 1011479483 /nfs/dbraw/zinc/47/94/83/1011479483.db2.gz QBQWQEBGCCKFAK-KRWDZBQOSA-N 1 2 361.804 2.955 20 30 FFEDLO CCCCCCCCCC[NH+]1CC2(C1)CN(COCCOC)C(=O)CO2 ZINC001275119039 1011961943 /nfs/dbraw/zinc/96/19/43/1011961943.db2.gz NAEWAHSHMZUAFJ-UHFFFAOYSA-N 1 2 370.534 2.661 20 30 FFEDLO N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2cc(F)c(C#N)c(F)c2)C1=O ZINC001275282095 1012203660 /nfs/dbraw/zinc/20/36/60/1012203660.db2.gz IWWBVQFIEJSODF-LJQANCHMSA-N 1 2 358.392 2.707 20 30 FFEDLO N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)c(C#N)c(F)c2)C1=O ZINC001275282095 1012203675 /nfs/dbraw/zinc/20/36/75/1012203675.db2.gz IWWBVQFIEJSODF-LJQANCHMSA-N 1 2 358.392 2.707 20 30 FFEDLO COCCCN1CC[C@]2(CCC[N@@H+]2Cc2cccc(C#N)c2Cl)C1=O ZINC001275308515 1012260819 /nfs/dbraw/zinc/26/08/19/1012260819.db2.gz OIUDUSLKXBUTHA-LJQANCHMSA-N 1 2 361.873 2.815 20 30 FFEDLO COCCCN1CC[C@]2(CCC[N@H+]2Cc2cccc(C#N)c2Cl)C1=O ZINC001275308515 1012260840 /nfs/dbraw/zinc/26/08/40/1012260840.db2.gz OIUDUSLKXBUTHA-LJQANCHMSA-N 1 2 361.873 2.815 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(Br)n1 ZINC001275351769 1012352208 /nfs/dbraw/zinc/35/22/08/1012352208.db2.gz WHPOZHRAFRGCRV-HUUCEWRRSA-N 1 2 364.287 2.986 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(Br)n1 ZINC001275351769 1012352223 /nfs/dbraw/zinc/35/22/23/1012352223.db2.gz WHPOZHRAFRGCRV-HUUCEWRRSA-N 1 2 364.287 2.986 20 30 FFEDLO C=CCOC1CCC([NH2+][C@@H](CCC(=O)OC)C(=O)OC(C)(C)C)CC1 ZINC001173313480 1012426667 /nfs/dbraw/zinc/42/66/67/1012426667.db2.gz YIUVTHOBGCFNTB-GPANFISMSA-N 1 2 355.475 2.753 20 30 FFEDLO C=CCCCC[N@@H+]1C[C@]2(F)CN(CCCn3cccc3)C(=O)[C@]2(F)C1 ZINC001276356551 1012499104 /nfs/dbraw/zinc/49/91/04/1012499104.db2.gz AUIOLAFWBJXPIO-RBUKOAKNSA-N 1 2 351.441 2.809 20 30 FFEDLO C=CCCCC[N@H+]1C[C@]2(F)CN(CCCn3cccc3)C(=O)[C@]2(F)C1 ZINC001276356551 1012499116 /nfs/dbraw/zinc/49/91/16/1012499116.db2.gz AUIOLAFWBJXPIO-RBUKOAKNSA-N 1 2 351.441 2.809 20 30 FFEDLO Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)n1C ZINC001095167648 1012593211 /nfs/dbraw/zinc/59/32/11/1012593211.db2.gz HYDVCNXZMJHYIX-NEWSRXKRSA-N 1 2 366.440 2.880 20 30 FFEDLO Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)n1C ZINC001095167648 1012593221 /nfs/dbraw/zinc/59/32/21/1012593221.db2.gz HYDVCNXZMJHYIX-NEWSRXKRSA-N 1 2 366.440 2.880 20 30 FFEDLO C#CCN1CCC2(CC[NH+](Cc3cc(Cl)cnc3Cl)CC2)C1=O ZINC001275541772 1012599776 /nfs/dbraw/zinc/59/97/76/1012599776.db2.gz RZCUGEHQAUYBMC-UHFFFAOYSA-N 1 2 352.265 2.836 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2cccc(Cl)c2)[nH]n1 ZINC001095212976 1012717450 /nfs/dbraw/zinc/71/74/50/1012717450.db2.gz LRCSNYWKCRIHPZ-AOIWGVFYSA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2cccc(Cl)c2)[nH]n1 ZINC001095212976 1012717465 /nfs/dbraw/zinc/71/74/65/1012717465.db2.gz LRCSNYWKCRIHPZ-AOIWGVFYSA-N 1 2 368.868 2.758 20 30 FFEDLO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001275624108 1012721508 /nfs/dbraw/zinc/72/15/08/1012721508.db2.gz YQPCOCKQLWACOD-VBKZILBWSA-N 1 2 357.429 2.632 20 30 FFEDLO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001275624108 1012721529 /nfs/dbraw/zinc/72/15/29/1012721529.db2.gz YQPCOCKQLWACOD-VBKZILBWSA-N 1 2 357.429 2.632 20 30 FFEDLO Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)c1 ZINC001095265753 1013017166 /nfs/dbraw/zinc/01/71/66/1013017166.db2.gz OAOHKLHVGLHPNK-HOJAQTOUSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)c1 ZINC001095265753 1013017180 /nfs/dbraw/zinc/01/71/80/1013017180.db2.gz OAOHKLHVGLHPNK-HOJAQTOUSA-N 1 2 364.424 2.936 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(C3CC3)nc1)C2 ZINC001097983793 1017229064 /nfs/dbraw/zinc/22/90/64/1017229064.db2.gz CSGCNPBOPJWLPC-AQNXPRMDSA-N 1 2 373.460 2.761 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(C3CC3)nc1)C2 ZINC001097983793 1017229077 /nfs/dbraw/zinc/22/90/77/1017229077.db2.gz CSGCNPBOPJWLPC-AQNXPRMDSA-N 1 2 373.460 2.761 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)C(C)C ZINC001110891890 1017252785 /nfs/dbraw/zinc/25/27/85/1017252785.db2.gz DJJCJGICLNGNDQ-ZACQAIPSSA-N 1 2 370.559 2.524 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)C(C)C ZINC001110891890 1017252798 /nfs/dbraw/zinc/25/27/98/1017252798.db2.gz DJJCJGICLNGNDQ-ZACQAIPSSA-N 1 2 370.559 2.524 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccsn2)C3)c1 ZINC001097306637 1017316722 /nfs/dbraw/zinc/31/67/22/1017316722.db2.gz NCKIJMUKMOPAQR-XYPHTWIQSA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccsn2)C3)c1 ZINC001097306637 1017316732 /nfs/dbraw/zinc/31/67/32/1017316732.db2.gz NCKIJMUKMOPAQR-XYPHTWIQSA-N 1 2 356.426 2.689 20 30 FFEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3F)C2)CC1 ZINC001052093193 1017319305 /nfs/dbraw/zinc/31/93/05/1017319305.db2.gz LDCACZZJSVDCJZ-YZGWKJHDSA-N 1 2 371.500 2.724 20 30 FFEDLO C[NH+](C)Cc1csc(CNC(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)n1 ZINC000924780030 1017479272 /nfs/dbraw/zinc/47/92/72/1017479272.db2.gz GSMCTJSYQQCZAV-WBVHZDCISA-N 1 2 369.494 2.653 20 30 FFEDLO COCc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)o1 ZINC001097490134 1017537690 /nfs/dbraw/zinc/53/76/90/1017537690.db2.gz UQIUGOSNZQQKHV-QRQLOZEOSA-N 1 2 365.433 2.833 20 30 FFEDLO COCc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)o1 ZINC001097490134 1017537700 /nfs/dbraw/zinc/53/77/00/1017537700.db2.gz UQIUGOSNZQQKHV-QRQLOZEOSA-N 1 2 365.433 2.833 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)c(C)nn1 ZINC001097580480 1017661900 /nfs/dbraw/zinc/66/19/00/1017661900.db2.gz BTBAUZZUGLQQKY-FCEUIQTBSA-N 1 2 374.488 2.734 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)c(C)nn1 ZINC001097580480 1017661910 /nfs/dbraw/zinc/66/19/10/1017661910.db2.gz BTBAUZZUGLQQKY-FCEUIQTBSA-N 1 2 374.488 2.734 20 30 FFEDLO Cc1nocc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001097761879 1017889582 /nfs/dbraw/zinc/88/95/82/1017889582.db2.gz WICVTODQCVOSEN-OLMNPRSZSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1nocc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001097761879 1017889603 /nfs/dbraw/zinc/88/96/03/1017889603.db2.gz WICVTODQCVOSEN-OLMNPRSZSA-N 1 2 354.385 2.529 20 30 FFEDLO CCc1nocc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001097799467 1017945401 /nfs/dbraw/zinc/94/54/01/1017945401.db2.gz YDODVRYZPWBWEQ-AHRSYUTCSA-N 1 2 367.424 2.763 20 30 FFEDLO CCc1nocc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001097799467 1017945414 /nfs/dbraw/zinc/94/54/14/1017945414.db2.gz YDODVRYZPWBWEQ-AHRSYUTCSA-N 1 2 367.424 2.763 20 30 FFEDLO CCC(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ncccc2C#N)C1 ZINC001052745474 1018081074 /nfs/dbraw/zinc/08/10/74/1018081074.db2.gz NRQRRULUWRLLJN-HZPDHXFCSA-N 1 2 366.469 2.529 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)nc1 ZINC001097879581 1018149937 /nfs/dbraw/zinc/14/99/37/1018149937.db2.gz WQABDJCOOLUBSZ-MTSZKFMLSA-N 1 2 361.873 2.548 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)nc1 ZINC001097879581 1018149945 /nfs/dbraw/zinc/14/99/45/1018149945.db2.gz WQABDJCOOLUBSZ-MTSZKFMLSA-N 1 2 361.873 2.548 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nn(C)c1Cl ZINC001110925226 1018565354 /nfs/dbraw/zinc/56/53/54/1018565354.db2.gz PCLMSJKWLHQPEH-OIISXLGYSA-N 1 2 362.905 2.797 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nn(C)c1Cl ZINC001110925226 1018565361 /nfs/dbraw/zinc/56/53/61/1018565361.db2.gz PCLMSJKWLHQPEH-OIISXLGYSA-N 1 2 362.905 2.797 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCC1 ZINC001110934891 1018711004 /nfs/dbraw/zinc/71/10/04/1018711004.db2.gz QEIWYOMBSGMVAU-AITUJVMLSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCC1 ZINC001110934891 1018711013 /nfs/dbraw/zinc/71/10/13/1018711013.db2.gz QEIWYOMBSGMVAU-AITUJVMLSA-N 1 2 361.530 2.759 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](Nc2cccc(F)c2C#N)C1 ZINC001047032358 1018864008 /nfs/dbraw/zinc/86/40/08/1018864008.db2.gz GMRZVCUGILTSLQ-KBUPBQIOSA-N 1 2 367.428 2.541 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)nc3n[nH]c(C)c31)C2 ZINC001096168731 1019029327 /nfs/dbraw/zinc/02/93/27/1019029327.db2.gz OCHWWHUIJYDNHX-SNPRPXQTSA-N 1 2 359.861 2.662 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)nc3n[nH]c(C)c31)C2 ZINC001096168731 1019029339 /nfs/dbraw/zinc/02/93/39/1019029339.db2.gz OCHWWHUIJYDNHX-SNPRPXQTSA-N 1 2 359.861 2.662 20 30 FFEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001042628243 1019086037 /nfs/dbraw/zinc/08/60/37/1019086037.db2.gz DTORHLXSJJMKPD-WMZOPIPTSA-N 1 2 370.403 2.691 20 30 FFEDLO Cc1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c(C)n1 ZINC001098060408 1019259234 /nfs/dbraw/zinc/25/92/34/1019259234.db2.gz LMHIUFGKGQHJOX-RLLQIKCJSA-N 1 2 361.449 2.500 20 30 FFEDLO Cc1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c(C)n1 ZINC001098060408 1019259253 /nfs/dbraw/zinc/25/92/53/1019259253.db2.gz LMHIUFGKGQHJOX-RLLQIKCJSA-N 1 2 361.449 2.500 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@@H+](CCCCOCc3ccccc3)C[C@@]2(F)C1=O ZINC001276380944 1019265126 /nfs/dbraw/zinc/26/51/26/1019265126.db2.gz CSHOHSMEDMJUIO-VQTJNVASSA-N 1 2 364.436 2.744 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@H+](CCCCOCc3ccccc3)C[C@@]2(F)C1=O ZINC001276380944 1019265134 /nfs/dbraw/zinc/26/51/34/1019265134.db2.gz CSHOHSMEDMJUIO-VQTJNVASSA-N 1 2 364.436 2.744 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001047668091 1019492086 /nfs/dbraw/zinc/49/20/86/1019492086.db2.gz CVMDVLUYNWKJKH-DLBZAZTESA-N 1 2 368.485 2.527 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)c(C)o1 ZINC001096232891 1019506714 /nfs/dbraw/zinc/50/67/14/1019506714.db2.gz QXRCAXXNVQHOOG-KCXAZCMYSA-N 1 2 356.451 2.760 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)c(C)o1 ZINC001096232891 1019506732 /nfs/dbraw/zinc/50/67/32/1019506732.db2.gz QXRCAXXNVQHOOG-KCXAZCMYSA-N 1 2 356.451 2.760 20 30 FFEDLO Cc1oc(C=O)cc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000929585451 1019526058 /nfs/dbraw/zinc/52/60/58/1019526058.db2.gz SUBTYPFUEJRNOO-UHFFFAOYSA-N 1 2 351.406 2.620 20 30 FFEDLO Cc1oc(C=O)cc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000929585451 1019526075 /nfs/dbraw/zinc/52/60/75/1019526075.db2.gz SUBTYPFUEJRNOO-UHFFFAOYSA-N 1 2 351.406 2.620 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(F)c2F)c1 ZINC001095987794 1019696325 /nfs/dbraw/zinc/69/63/25/1019696325.db2.gz LZMVULGEHYVIQM-NEWSRXKRSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(F)c2F)c1 ZINC001095987794 1019696341 /nfs/dbraw/zinc/69/63/41/1019696341.db2.gz LZMVULGEHYVIQM-NEWSRXKRSA-N 1 2 367.399 2.876 20 30 FFEDLO COc1ccc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)cc1F ZINC000725791953 1020259772 /nfs/dbraw/zinc/25/97/72/1020259772.db2.gz AUFIKXFLICPFGF-UHFFFAOYSA-N 1 2 373.428 2.504 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)nc1 ZINC001096372336 1020261249 /nfs/dbraw/zinc/26/12/49/1020261249.db2.gz MWBVDBLLTFVTGP-QMMLZNLJSA-N 1 2 374.419 2.609 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)nc1 ZINC001096372336 1020261252 /nfs/dbraw/zinc/26/12/52/1020261252.db2.gz MWBVDBLLTFVTGP-QMMLZNLJSA-N 1 2 374.419 2.609 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnoc1C1CC1)C2 ZINC001098141792 1020317352 /nfs/dbraw/zinc/31/73/52/1020317352.db2.gz HZQUOFMJAKAOHF-QRQLOZEOSA-N 1 2 362.433 2.959 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnoc1C1CC1)C2 ZINC001098141792 1020317363 /nfs/dbraw/zinc/31/73/63/1020317363.db2.gz HZQUOFMJAKAOHF-QRQLOZEOSA-N 1 2 362.433 2.959 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)C)CC1 ZINC000802676703 1020321317 /nfs/dbraw/zinc/32/13/17/1020321317.db2.gz CZONNLMBSMOTOE-UHFFFAOYSA-N 1 2 367.497 2.577 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cnoc1C1CC1 ZINC001098142016 1020327145 /nfs/dbraw/zinc/32/71/45/1020327145.db2.gz SCQPEZWBZAEMBS-RLLQIKCJSA-N 1 2 361.445 2.939 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cnoc1C1CC1 ZINC001098142016 1020327152 /nfs/dbraw/zinc/32/71/52/1020327152.db2.gz SCQPEZWBZAEMBS-RLLQIKCJSA-N 1 2 361.445 2.939 20 30 FFEDLO N#Cc1ccc(N2CCC(C(=O)O[C@H]3CC[N@@H+](CCF)C3)CC2)c(F)c1 ZINC000802821937 1020431314 /nfs/dbraw/zinc/43/13/14/1020431314.db2.gz UTHYDGMZGBUIRD-INIZCTEOSA-N 1 2 363.408 2.501 20 30 FFEDLO N#Cc1ccc(N2CCC(C(=O)O[C@H]3CC[N@H+](CCF)C3)CC2)c(F)c1 ZINC000802821937 1020431321 /nfs/dbraw/zinc/43/13/21/1020431321.db2.gz UTHYDGMZGBUIRD-INIZCTEOSA-N 1 2 363.408 2.501 20 30 FFEDLO COc1cccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001096426714 1020520938 /nfs/dbraw/zinc/52/09/38/1020520938.db2.gz VZFZGQUKLOSPIH-KCXAZCMYSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1cccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001096426714 1020520943 /nfs/dbraw/zinc/52/09/43/1020520943.db2.gz VZFZGQUKLOSPIH-KCXAZCMYSA-N 1 2 368.462 2.559 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3occc3s1)C2 ZINC001111018432 1020605733 /nfs/dbraw/zinc/60/57/33/1020605733.db2.gz USMUREOUVSEOPW-SYQHCUMBSA-N 1 2 373.478 2.520 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3occc3s1)C2 ZINC001111018432 1020605739 /nfs/dbraw/zinc/60/57/39/1020605739.db2.gz USMUREOUVSEOPW-SYQHCUMBSA-N 1 2 373.478 2.520 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nccs1 ZINC001074015982 1020625751 /nfs/dbraw/zinc/62/57/51/1020625751.db2.gz ZYWKXDBFPUDOMK-ZACQAIPSSA-N 1 2 363.527 2.937 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nccs1 ZINC001074015982 1020625756 /nfs/dbraw/zinc/62/57/56/1020625756.db2.gz ZYWKXDBFPUDOMK-ZACQAIPSSA-N 1 2 363.527 2.937 20 30 FFEDLO CC(C)n1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)n1 ZINC001096093687 1020627640 /nfs/dbraw/zinc/62/76/40/1020627640.db2.gz SVQUFZKUHVNBRH-BVGQSLNGSA-N 1 2 369.494 2.932 20 30 FFEDLO CC(C)n1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)n1 ZINC001096093687 1020627651 /nfs/dbraw/zinc/62/76/51/1020627651.db2.gz SVQUFZKUHVNBRH-BVGQSLNGSA-N 1 2 369.494 2.932 20 30 FFEDLO Cc1nc([C@@H]2CC[N@H+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)C2)no1 ZINC000931951424 1020642678 /nfs/dbraw/zinc/64/26/78/1020642678.db2.gz ZKYCKHAFIMJQRC-QGZVFWFLSA-N 1 2 367.453 2.731 20 30 FFEDLO Cc1nc([C@@H]2CC[N@@H+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)C2)no1 ZINC000931951424 1020642682 /nfs/dbraw/zinc/64/26/82/1020642682.db2.gz ZKYCKHAFIMJQRC-QGZVFWFLSA-N 1 2 367.453 2.731 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)[C@@H]2CC)c1 ZINC001048980699 1020658498 /nfs/dbraw/zinc/65/84/98/1020658498.db2.gz MTACTDGYLKYDJZ-RBUKOAKNSA-N 1 2 363.465 2.565 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1CC ZINC001048998117 1020671360 /nfs/dbraw/zinc/67/13/60/1020671360.db2.gz KVTSXBLBHWERBW-XDNAFOTISA-N 1 2 370.497 2.727 20 30 FFEDLO COC(=O)C[C@@H]1C[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C[C@H]1C ZINC000932105393 1020708196 /nfs/dbraw/zinc/70/81/96/1020708196.db2.gz UQEVPVAXIWHCMK-GDBMZVCRSA-N 1 2 352.438 2.683 20 30 FFEDLO COC(=O)C[C@@H]1C[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C[C@H]1C ZINC000932105393 1020708206 /nfs/dbraw/zinc/70/82/06/1020708206.db2.gz UQEVPVAXIWHCMK-GDBMZVCRSA-N 1 2 352.438 2.683 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3ccn(C)n3)C2)c(C#N)c1C ZINC000932136298 1020717111 /nfs/dbraw/zinc/71/71/11/1020717111.db2.gz ZHXUQKKTFYHHNK-UKRRQHHQSA-N 1 2 355.442 2.708 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3ccn(C)n3)C2)c(C#N)c1C ZINC000932136298 1020717119 /nfs/dbraw/zinc/71/71/19/1020717119.db2.gz ZHXUQKKTFYHHNK-UKRRQHHQSA-N 1 2 355.442 2.708 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CCN1c1ncccc1C#N ZINC001049086077 1020729299 /nfs/dbraw/zinc/72/92/99/1020729299.db2.gz WIBXQMFXMVTFDL-FUHWJXTLSA-N 1 2 360.421 2.617 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(Cl)no2)C3)ccc1F ZINC001098258148 1020770693 /nfs/dbraw/zinc/77/06/93/1020770693.db2.gz QKLCYIAOFBIBKA-YUELXQCFSA-N 1 2 374.803 2.874 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(Cl)no2)C3)ccc1F ZINC001098258148 1020770700 /nfs/dbraw/zinc/77/07/00/1020770700.db2.gz QKLCYIAOFBIBKA-YUELXQCFSA-N 1 2 374.803 2.874 20 30 FFEDLO C[C@@H]([NH2+][C@@H](c1ncccn1)C1CC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000932359423 1020780710 /nfs/dbraw/zinc/78/07/10/1020780710.db2.gz DVKQUJCUAFERFR-RDTXWAMCSA-N 1 2 367.428 2.992 20 30 FFEDLO Cn1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)c1C1CC1 ZINC001098496010 1020969236 /nfs/dbraw/zinc/96/92/36/1020969236.db2.gz OIFSUVVSDJREDG-NRSPTQNISA-N 1 2 374.488 2.684 20 30 FFEDLO Cn1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)c1C1CC1 ZINC001098496010 1020969238 /nfs/dbraw/zinc/96/92/38/1020969238.db2.gz OIFSUVVSDJREDG-NRSPTQNISA-N 1 2 374.488 2.684 20 30 FFEDLO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 ZINC000933624401 1021050687 /nfs/dbraw/zinc/05/06/87/1021050687.db2.gz IBCTUTATVUARCD-FPOVZHCZSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 ZINC000933624401 1021050692 /nfs/dbraw/zinc/05/06/92/1021050692.db2.gz IBCTUTATVUARCD-FPOVZHCZSA-N 1 2 352.434 2.680 20 30 FFEDLO O=C1C=COC2(CC[NH+](Cc3ccn(-c4c(F)cccc4F)n3)CC2)C1 ZINC000933649191 1021058154 /nfs/dbraw/zinc/05/81/54/1021058154.db2.gz LJKUVRAPZOQATN-UHFFFAOYSA-N 1 2 359.376 2.988 20 30 FFEDLO C=CCn1cc2ccc(NC(=O)N3C[C@@H]([NH+]4CCOCC4)C[C@H]3C)cc2n1 ZINC000933669165 1021064997 /nfs/dbraw/zinc/06/49/97/1021064997.db2.gz CIVCDKWUJAJOEM-QAPCUYQASA-N 1 2 369.469 2.549 20 30 FFEDLO Cc1cc(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cc(F)ccc2C#N)C3)no1 ZINC001098717505 1021068432 /nfs/dbraw/zinc/06/84/32/1021068432.db2.gz RPJJMKSMOLUNRM-JXFKEZNVSA-N 1 2 368.412 2.778 20 30 FFEDLO Cc1cc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cc(F)ccc2C#N)C3)no1 ZINC001098717505 1021068441 /nfs/dbraw/zinc/06/84/41/1021068441.db2.gz RPJJMKSMOLUNRM-JXFKEZNVSA-N 1 2 368.412 2.778 20 30 FFEDLO COC(=O)Nc1ccc(CNC(=O)C[N@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000933774096 1021087701 /nfs/dbraw/zinc/08/77/01/1021087701.db2.gz KJLSZXYBMGLYNP-UHFFFAOYSA-N 1 2 372.450 2.546 20 30 FFEDLO COC(=O)Nc1ccc(CNC(=O)C[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000933774096 1021087705 /nfs/dbraw/zinc/08/77/05/1021087705.db2.gz KJLSZXYBMGLYNP-UHFFFAOYSA-N 1 2 372.450 2.546 20 30 FFEDLO C#CCOCC[N@@H+](C)Cc1cc2c(cc1Br)OCCCO2 ZINC001116486075 1021242142 /nfs/dbraw/zinc/24/21/42/1021242142.db2.gz AXORHNDFNUQYLL-UHFFFAOYSA-N 1 2 354.244 2.692 20 30 FFEDLO C#CCOCC[N@H+](C)Cc1cc2c(cc1Br)OCCCO2 ZINC001116486075 1021242150 /nfs/dbraw/zinc/24/21/50/1021242150.db2.gz AXORHNDFNUQYLL-UHFFFAOYSA-N 1 2 354.244 2.692 20 30 FFEDLO N#CCc1ccc(S(=O)(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC001116540275 1021272796 /nfs/dbraw/zinc/27/27/96/1021272796.db2.gz HZEUIEJLMJDKEJ-UHFFFAOYSA-N 1 2 372.494 2.830 20 30 FFEDLO C=C(C)CCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3oc(CCC)nc3C)C[C@@H]21 ZINC001218037700 1032965868 /nfs/dbraw/zinc/96/58/68/1032965868.db2.gz PJDGWBBZQVSIFJ-FUHWJXTLSA-N 1 2 361.486 2.703 20 30 FFEDLO C=C(C)CCC(=O)N1CCO[C@@H]2C[N@H+](Cc3oc(CCC)nc3C)C[C@@H]21 ZINC001218037700 1032965878 /nfs/dbraw/zinc/96/58/78/1032965878.db2.gz PJDGWBBZQVSIFJ-FUHWJXTLSA-N 1 2 361.486 2.703 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](Cc2ccc(F)nc2)Cc2nnn(CC3CC3)c21 ZINC001137738034 1032974568 /nfs/dbraw/zinc/97/45/68/1032974568.db2.gz JBFBAXAROGPTJD-MRXNPFEDSA-N 1 2 357.433 2.524 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](Cc2ccc(F)nc2)Cc2nnn(CC3CC3)c21 ZINC001137738034 1032974576 /nfs/dbraw/zinc/97/45/76/1032974576.db2.gz JBFBAXAROGPTJD-MRXNPFEDSA-N 1 2 357.433 2.524 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001010715253 1021484294 /nfs/dbraw/zinc/48/42/94/1021484294.db2.gz FANHIRKNYAKOPG-HZPDHXFCSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001010715253 1021484303 /nfs/dbraw/zinc/48/43/03/1021484303.db2.gz FANHIRKNYAKOPG-HZPDHXFCSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001014324572 1021783287 /nfs/dbraw/zinc/78/32/87/1021783287.db2.gz KYNTZYUPOJOKDB-BONWFUQQSA-N 1 2 370.497 2.755 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001014324572 1021783302 /nfs/dbraw/zinc/78/33/02/1021783302.db2.gz KYNTZYUPOJOKDB-BONWFUQQSA-N 1 2 370.497 2.755 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)c1 ZINC001014484942 1021858751 /nfs/dbraw/zinc/85/87/51/1021858751.db2.gz KZKGKONOSORHEP-IWKCEXAMSA-N 1 2 353.441 2.990 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)c1 ZINC001014484942 1021858769 /nfs/dbraw/zinc/85/87/69/1021858769.db2.gz KZKGKONOSORHEP-IWKCEXAMSA-N 1 2 353.441 2.990 20 30 FFEDLO N#Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)C2CCC2)C[C@H]1C(F)(F)F ZINC001099199234 1022062882 /nfs/dbraw/zinc/06/28/82/1022062882.db2.gz STTMSJXDATZEQL-HZPDHXFCSA-N 1 2 351.372 2.837 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](Oc2nc(-c3ccc(Cl)cc3)ccc2C#N)C[NH2+]1 ZINC001218173524 1033030192 /nfs/dbraw/zinc/03/01/92/1033030192.db2.gz ZKHGBPIUFBOUGT-ZBFHGGJFSA-N 1 2 357.797 2.556 20 30 FFEDLO CC[C@@H](F)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001099289978 1022233398 /nfs/dbraw/zinc/23/33/98/1022233398.db2.gz JRJGAPLATCXBKE-RBSFLKMASA-N 1 2 357.351 2.785 20 30 FFEDLO N#CC[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000156621433 1022377750 /nfs/dbraw/zinc/37/77/50/1022377750.db2.gz UILMDMVYTHIQQA-UHFFFAOYSA-N 1 2 356.470 2.620 20 30 FFEDLO N#CC[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000156621433 1022377762 /nfs/dbraw/zinc/37/77/62/1022377762.db2.gz UILMDMVYTHIQQA-UHFFFAOYSA-N 1 2 356.470 2.620 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)c(F)c1 ZINC001038259803 1022635992 /nfs/dbraw/zinc/63/59/92/1022635992.db2.gz JNENRJDBTOZVKR-NUJGCVRESA-N 1 2 362.445 2.506 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)c(F)c1 ZINC001038259803 1022635997 /nfs/dbraw/zinc/63/59/97/1022635997.db2.gz JNENRJDBTOZVKR-NUJGCVRESA-N 1 2 362.445 2.506 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1oc(C(C)C)nc1C ZINC001038808170 1022716886 /nfs/dbraw/zinc/71/68/86/1022716886.db2.gz PETMFSVGJZASHT-BQFCYCMXSA-N 1 2 361.486 2.778 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1oc(C(C)C)nc1C ZINC001038808170 1022716901 /nfs/dbraw/zinc/71/69/01/1022716901.db2.gz PETMFSVGJZASHT-BQFCYCMXSA-N 1 2 361.486 2.778 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ncc2ccccn21 ZINC001095759934 1022758264 /nfs/dbraw/zinc/75/82/64/1022758264.db2.gz BWUFQXRORVTFPR-GIVPXCGWSA-N 1 2 370.456 2.721 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ncc2ccccn21 ZINC001095759934 1022758275 /nfs/dbraw/zinc/75/82/75/1022758275.db2.gz BWUFQXRORVTFPR-GIVPXCGWSA-N 1 2 370.456 2.721 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000779128565 1022856567 /nfs/dbraw/zinc/85/65/67/1022856567.db2.gz XAWRSKPKSSRTLL-KRWDZBQOSA-N 1 2 357.454 2.747 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000779128565 1022856580 /nfs/dbraw/zinc/85/65/80/1022856580.db2.gz XAWRSKPKSSRTLL-KRWDZBQOSA-N 1 2 357.454 2.747 20 30 FFEDLO C=CCn1c2nn(C[NH+]3C[C@@H](C)[C@H](C)C3)c(=S)n2c2ccccc2c1=O ZINC000751926970 1022976165 /nfs/dbraw/zinc/97/61/65/1022976165.db2.gz IPJYPLMUZDFEIZ-ZIAGYGMSSA-N 1 2 369.494 2.911 20 30 FFEDLO C=CCn1c2nn(C[NH+]3C[C@H](C)[C@@H](C)C3)c(=S)n2c2ccccc2c1=O ZINC000751926967 1022976543 /nfs/dbraw/zinc/97/65/43/1022976543.db2.gz IPJYPLMUZDFEIZ-KBPBESRZSA-N 1 2 369.494 2.911 20 30 FFEDLO Cc1cc(N)cc(C)c1C=[NH+]Nc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 ZINC000752730993 1023197851 /nfs/dbraw/zinc/19/78/51/1023197851.db2.gz RMCVZGVBZAVXFL-UHFFFAOYSA-N 1 2 353.430 2.932 20 30 FFEDLO COC(=O)[C@H]1[NH2+]CC[C@H]1Oc1ccc(/C=C/C(=O)c2ccccc2)cc1 ZINC001218346128 1033117213 /nfs/dbraw/zinc/11/72/13/1033117213.db2.gz HTDWFVSCARVMMR-ALHCXDLNSA-N 1 2 351.402 2.865 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC2CC1(C)C2 ZINC001122441754 1023270897 /nfs/dbraw/zinc/27/08/97/1023270897.db2.gz VBWGTCYKWDHTOU-UHFFFAOYSA-N 1 2 354.502 2.936 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC2(F)F)nnc1N(C)CC[NH+]1CCOCC1 ZINC001122539951 1023328298 /nfs/dbraw/zinc/32/82/98/1023328298.db2.gz PRJUIKZNQHTYNQ-HNNXBMFYSA-N 1 2 369.460 2.525 20 30 FFEDLO C=C(C)Cn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1C1(O)CCC1 ZINC001122551578 1023334487 /nfs/dbraw/zinc/33/44/87/1023334487.db2.gz RLYDAWAZVCYGOT-UHFFFAOYSA-N 1 2 368.485 2.702 20 30 FFEDLO C[C@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000753829789 1023387275 /nfs/dbraw/zinc/38/72/75/1023387275.db2.gz LBYZQTRPKOEDIY-AYMQEEERSA-N 1 2 359.470 2.588 20 30 FFEDLO N#CCOc1cccc(CC(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)c1 ZINC001120679557 1023419715 /nfs/dbraw/zinc/41/97/15/1023419715.db2.gz RIMFQGYGFPUSET-IBGZPJMESA-N 1 2 369.852 2.958 20 30 FFEDLO N#CC[C@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2C[C@@H]2CCCO2)C1 ZINC001122835138 1023503753 /nfs/dbraw/zinc/50/37/53/1023503753.db2.gz JPUKLDBCKQAXNJ-MSOLQXFVSA-N 1 2 372.517 2.573 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(OC)c(OC)c2F)C1=O ZINC001276835982 1033146354 /nfs/dbraw/zinc/14/63/54/1033146354.db2.gz XUPRXNORMIAFTL-FQEVSTJZSA-N 1 2 362.445 2.986 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(OC)c(OC)c2F)C1=O ZINC001276835982 1033146365 /nfs/dbraw/zinc/14/63/65/1033146365.db2.gz XUPRXNORMIAFTL-FQEVSTJZSA-N 1 2 362.445 2.986 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccc(OC)c(OC)c2F)C1=O ZINC001276835984 1033146559 /nfs/dbraw/zinc/14/65/59/1033146559.db2.gz XUPRXNORMIAFTL-HXUWFJFHSA-N 1 2 362.445 2.986 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(OC)c(OC)c2F)C1=O ZINC001276835984 1033146567 /nfs/dbraw/zinc/14/65/67/1033146567.db2.gz XUPRXNORMIAFTL-HXUWFJFHSA-N 1 2 362.445 2.986 20 30 FFEDLO C=CCN(C)c1nnc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1Cc1cccs1 ZINC001123041303 1023606770 /nfs/dbraw/zinc/60/67/70/1023606770.db2.gz MSUBTJJGUUPZRY-NVXWUHKLSA-N 1 2 373.526 2.936 20 30 FFEDLO C=CCN(C)c1nnc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)n1Cc1cccs1 ZINC001123041303 1023606780 /nfs/dbraw/zinc/60/67/80/1023606780.db2.gz MSUBTJJGUUPZRY-NVXWUHKLSA-N 1 2 373.526 2.936 20 30 FFEDLO C=CCO[C@@H]1CCN(c2nnc([C@H](C)[N@H+](C)Cc3ccccc3)n2C)C1 ZINC001121420133 1023763853 /nfs/dbraw/zinc/76/38/53/1023763853.db2.gz QWVSRAUVXHUUIX-FUHWJXTLSA-N 1 2 355.486 2.789 20 30 FFEDLO C=CCO[C@@H]1CCN(c2nnc([C@H](C)[N@@H+](C)Cc3ccccc3)n2C)C1 ZINC001121420133 1023763860 /nfs/dbraw/zinc/76/38/60/1023763860.db2.gz QWVSRAUVXHUUIX-FUHWJXTLSA-N 1 2 355.486 2.789 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000779388489 1023765720 /nfs/dbraw/zinc/76/57/20/1023765720.db2.gz MYECXCJMDRQEMF-SJLPKXTDSA-N 1 2 367.453 2.721 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](Cc3ccccc3)CCO2)nnc1N1CC=CCC1 ZINC001121524936 1023826032 /nfs/dbraw/zinc/82/60/32/1023826032.db2.gz XNCDAQOKCQUODY-LJQANCHMSA-N 1 2 365.481 2.804 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](Cc3ccccc3)CCO2)nnc1N1CC=CCC1 ZINC001121524936 1023826040 /nfs/dbraw/zinc/82/60/40/1023826040.db2.gz XNCDAQOKCQUODY-LJQANCHMSA-N 1 2 365.481 2.804 20 30 FFEDLO C=CC1CCN(c2nnc([C@H]3C[N@H+](C(C)C)CCO3)n2CC2CC2)CC1 ZINC001123493729 1023831772 /nfs/dbraw/zinc/83/17/72/1023831772.db2.gz DHKGBPWRHXDXDB-GOSISDBHSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CC1CCN(c2nnc([C@H]3C[N@@H+](C(C)C)CCO3)n2CC2CC2)CC1 ZINC001123493729 1023831775 /nfs/dbraw/zinc/83/17/75/1023831775.db2.gz DHKGBPWRHXDXDB-GOSISDBHSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001121620925 1023886221 /nfs/dbraw/zinc/88/62/21/1023886221.db2.gz WKMGUPZTDYHGGG-LAUBAEHRSA-N 1 2 360.465 2.566 20 30 FFEDLO CC(C)[C@@H](CC[N@H+](C)Cn1cccc(C#N)c1=O)NC(=O)OC(C)(C)C ZINC000758228688 1023981261 /nfs/dbraw/zinc/98/12/61/1023981261.db2.gz BPXUASZHLFBSEY-MRXNPFEDSA-N 1 2 362.474 2.549 20 30 FFEDLO CC(C)[C@@H](CC[N@@H+](C)Cn1cccc(C#N)c1=O)NC(=O)OC(C)(C)C ZINC000758228688 1023981272 /nfs/dbraw/zinc/98/12/72/1023981272.db2.gz BPXUASZHLFBSEY-MRXNPFEDSA-N 1 2 362.474 2.549 20 30 FFEDLO Cc1cc(Cn2c([C@@H]3CCC[N@@H+]3C)nnc2N(C)[C@H]2CCC[C@H]2C#N)no1 ZINC001123796977 1024039797 /nfs/dbraw/zinc/03/97/97/1024039797.db2.gz IMOYJQQQEDLYPO-XIRDDKMYSA-N 1 2 369.473 2.518 20 30 FFEDLO Cc1cc(Cn2c([C@@H]3CCC[N@H+]3C)nnc2N(C)[C@H]2CCC[C@H]2C#N)no1 ZINC001123796977 1024039812 /nfs/dbraw/zinc/03/98/12/1024039812.db2.gz IMOYJQQQEDLYPO-XIRDDKMYSA-N 1 2 369.473 2.518 20 30 FFEDLO C#CC[N@@H+](C)CC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000192239155 1024040517 /nfs/dbraw/zinc/04/05/17/1024040517.db2.gz ATIGZFQNTHWIMU-UHFFFAOYSA-N 1 2 372.472 2.780 20 30 FFEDLO C#CC[N@H+](C)CC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000192239155 1024040533 /nfs/dbraw/zinc/04/05/33/1024040533.db2.gz ATIGZFQNTHWIMU-UHFFFAOYSA-N 1 2 372.472 2.780 20 30 FFEDLO NC(=NOCCSc1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000758764106 1024290709 /nfs/dbraw/zinc/29/07/09/1024290709.db2.gz WOUJPIGMJQVILL-UHFFFAOYSA-N 1 2 371.506 2.948 20 30 FFEDLO Cc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001095841152 1024464600 /nfs/dbraw/zinc/46/46/00/1024464600.db2.gz AGHSPNYVUCVDRC-NEWSRXKRSA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001095841152 1024464603 /nfs/dbraw/zinc/46/46/03/1024464603.db2.gz AGHSPNYVUCVDRC-NEWSRXKRSA-N 1 2 368.868 2.758 20 30 FFEDLO C=CCCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3oc(C(C)C)nc3C)C[C@@H]21 ZINC001218565959 1033223307 /nfs/dbraw/zinc/22/33/07/1033223307.db2.gz CSBWYVCQJJXOOH-FUHWJXTLSA-N 1 2 361.486 2.874 20 30 FFEDLO C=CCCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3oc(C(C)C)nc3C)C[C@@H]21 ZINC001218565959 1033223321 /nfs/dbraw/zinc/22/33/21/1033223321.db2.gz CSBWYVCQJJXOOH-FUHWJXTLSA-N 1 2 361.486 2.874 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](CCc2ccc(F)c(F)c2)C1 ZINC000951785254 1024702536 /nfs/dbraw/zinc/70/25/36/1024702536.db2.gz FPLGHJCSMGWLPA-APWZRJJASA-N 1 2 364.436 2.631 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001101458147 1024795874 /nfs/dbraw/zinc/79/58/74/1024795874.db2.gz LCGCVSCARJLDLF-HKUYNNGSSA-N 1 2 370.497 2.729 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C)[nH]4)C[C@@]3(C)C2)CCCCC1 ZINC001101471532 1024827922 /nfs/dbraw/zinc/82/79/22/1024827922.db2.gz WOXITBGHNXVGAG-XLIONFOSSA-N 1 2 371.529 2.920 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C)[nH]4)C[C@@]3(C)C2)CCCCC1 ZINC001101471532 1024827941 /nfs/dbraw/zinc/82/79/41/1024827941.db2.gz WOXITBGHNXVGAG-XLIONFOSSA-N 1 2 371.529 2.920 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1nc(C(C)(C)C)no1)C2 ZINC001111402567 1025174964 /nfs/dbraw/zinc/17/49/64/1025174964.db2.gz FDTILENWURQTSD-MCIONIFRSA-N 1 2 366.893 2.774 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1nc(C(C)(C)C)no1)C2 ZINC001111402567 1025174970 /nfs/dbraw/zinc/17/49/70/1025174970.db2.gz FDTILENWURQTSD-MCIONIFRSA-N 1 2 366.893 2.774 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCc1nc(CCC)no1)C2 ZINC001111403596 1025179042 /nfs/dbraw/zinc/17/90/42/1025179042.db2.gz AGGSNKXQPJMMJZ-KFWWJZLASA-N 1 2 366.893 2.819 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCc1nc(CCC)no1)C2 ZINC001111403596 1025179046 /nfs/dbraw/zinc/17/90/46/1025179046.db2.gz AGGSNKXQPJMMJZ-KFWWJZLASA-N 1 2 366.893 2.819 20 30 FFEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](CC(=O)c1ccccc1OC)CC2 ZINC001276860449 1033266018 /nfs/dbraw/zinc/26/60/18/1033266018.db2.gz VEWWDBUKIMDPHV-QGZVFWFLSA-N 1 2 356.466 2.672 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000954047684 1025431558 /nfs/dbraw/zinc/43/15/58/1025431558.db2.gz MODUUYMJGPYVLC-HZPDHXFCSA-N 1 2 358.486 2.565 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000954047684 1025431562 /nfs/dbraw/zinc/43/15/62/1025431562.db2.gz MODUUYMJGPYVLC-HZPDHXFCSA-N 1 2 358.486 2.565 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccnc(-c3ccc(F)cc3)c2)CC1 ZINC001141118141 1025481350 /nfs/dbraw/zinc/48/13/50/1025481350.db2.gz LWOFWCQWKCRPHA-UHFFFAOYSA-N 1 2 374.423 2.872 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001102261454 1025657209 /nfs/dbraw/zinc/65/72/09/1025657209.db2.gz ZNJAUZARUIOHQE-YNEHKIRRSA-N 1 2 356.417 2.794 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001102261454 1025657213 /nfs/dbraw/zinc/65/72/13/1025657213.db2.gz ZNJAUZARUIOHQE-YNEHKIRRSA-N 1 2 356.417 2.794 20 30 FFEDLO C=CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ncn(-c3ccccc3)n2)C[C@H]1C ZINC001102297329 1025711088 /nfs/dbraw/zinc/71/10/88/1025711088.db2.gz UUWFKDVPGVUFJL-QZTJIDSGSA-N 1 2 367.497 2.808 20 30 FFEDLO C=CCCCC(=O)NC[C@@H]1C[N@H+](Cc2ncn(-c3ccccc3)n2)C[C@H]1C ZINC001102297329 1025711101 /nfs/dbraw/zinc/71/11/01/1025711101.db2.gz UUWFKDVPGVUFJL-QZTJIDSGSA-N 1 2 367.497 2.808 20 30 FFEDLO N#CCCN1CC[NH+](Cc2c(-c3ccccc3)nc3n2CCS3)CC1 ZINC001141308207 1025834196 /nfs/dbraw/zinc/83/41/96/1025834196.db2.gz CWCNBDVIANMASO-UHFFFAOYSA-N 1 2 353.495 2.687 20 30 FFEDLO C=CCCC(=O)NCC[C@@H]1C[N@@H+](Cc2ncn(-c3ccccc3)n2)C[C@H]1C ZINC001102762094 1026626481 /nfs/dbraw/zinc/62/64/81/1026626481.db2.gz MVNBZDYALNVADV-QZTJIDSGSA-N 1 2 367.497 2.808 20 30 FFEDLO C=CCCC(=O)NCC[C@@H]1C[N@H+](Cc2ncn(-c3ccccc3)n2)C[C@H]1C ZINC001102762094 1026626487 /nfs/dbraw/zinc/62/64/87/1026626487.db2.gz MVNBZDYALNVADV-QZTJIDSGSA-N 1 2 367.497 2.808 20 30 FFEDLO C#CC[N@@H+](CN1C(=O)C2(CCOCC2)[C@H]1C1CC1)[C@H]1CCc2ccccc21 ZINC000839963768 1026884840 /nfs/dbraw/zinc/88/48/40/1026884840.db2.gz KIZYMLKORZGSDU-LEWJYISDSA-N 1 2 364.489 2.984 20 30 FFEDLO C#CC[N@H+](CN1C(=O)C2(CCOCC2)[C@H]1C1CC1)[C@H]1CCc2ccccc21 ZINC000839963768 1026884848 /nfs/dbraw/zinc/88/48/48/1026884848.db2.gz KIZYMLKORZGSDU-LEWJYISDSA-N 1 2 364.489 2.984 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1CCN(Cc2cccnc2)C1=O ZINC000839970207 1026890305 /nfs/dbraw/zinc/89/03/05/1026890305.db2.gz NKGNPKRFJSKKJJ-UHFFFAOYSA-N 1 2 366.465 2.974 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1CCN(Cc2cccnc2)C1=O ZINC000839970207 1026890316 /nfs/dbraw/zinc/89/03/16/1026890316.db2.gz NKGNPKRFJSKKJJ-UHFFFAOYSA-N 1 2 366.465 2.974 20 30 FFEDLO C=C1CCC(C(=O)NC2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC000956484751 1026894398 /nfs/dbraw/zinc/89/43/98/1026894398.db2.gz ANWRMUFGMMNIHS-IAGOWNOFSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CCC(C(=O)NC2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC000956484751 1026894410 /nfs/dbraw/zinc/89/44/10/1026894410.db2.gz ANWRMUFGMMNIHS-IAGOWNOFSA-N 1 2 370.497 2.757 20 30 FFEDLO CC[NH+](CC)Cc1cn(CC(=O)c2cn(CCC#N)c3ccccc23)nn1 ZINC000640850653 1026975089 /nfs/dbraw/zinc/97/50/89/1026975089.db2.gz KKBJKBFUDQUBAY-UHFFFAOYSA-N 1 2 364.453 2.871 20 30 FFEDLO CCN(C(=O)CO[NH+]=C(N)Cc1cccnc1)[C@@H](C)c1ccc(F)cc1 ZINC000092915102 1027504818 /nfs/dbraw/zinc/50/48/18/1027504818.db2.gz QREGOTFZWAAJQF-AWEZNQCLSA-N 1 2 358.417 2.662 20 30 FFEDLO COCCC1(Nc2[nH+]ccc3ccc(C#N)cc32)CCS(=O)(=O)CC1 ZINC001161806433 1028321126 /nfs/dbraw/zinc/32/11/26/1028321126.db2.gz XYVVSEJVMYUZKN-UHFFFAOYSA-N 1 2 359.451 2.502 20 30 FFEDLO C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1CC[NH2+]Cc1nnsc1Cl ZINC001104175035 1028636357 /nfs/dbraw/zinc/63/63/57/1028636357.db2.gz PLXLWKKQEZKABV-CHWSQXEVSA-N 1 2 368.934 2.815 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1csc(C2CC2)n1 ZINC001155326173 1028676288 /nfs/dbraw/zinc/67/62/88/1028676288.db2.gz SLXVWIMQKAHEEP-XYPHTWIQSA-N 1 2 363.527 2.938 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1csc(C2CC2)n1 ZINC001155326173 1028676298 /nfs/dbraw/zinc/67/62/98/1028676298.db2.gz SLXVWIMQKAHEEP-XYPHTWIQSA-N 1 2 363.527 2.938 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2ccc3cnn(C(=O)OC(C)(C)C)c3c2)CC1 ZINC001155328718 1028678698 /nfs/dbraw/zinc/67/86/98/1028678698.db2.gz WJZZQRSAIXZCEW-UHFFFAOYSA-N 1 2 370.453 2.763 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)CC)CCCC1 ZINC001111517449 1028721002 /nfs/dbraw/zinc/72/10/02/1028721002.db2.gz BQYKHJPCDOAGGW-TVFCKZIOSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)CC)CCCC1 ZINC001111517449 1028721015 /nfs/dbraw/zinc/72/10/15/1028721015.db2.gz BQYKHJPCDOAGGW-TVFCKZIOSA-N 1 2 361.530 2.759 20 30 FFEDLO CC(C)OCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001111639468 1029007001 /nfs/dbraw/zinc/00/70/01/1029007001.db2.gz PTGDLJHPEALQGP-PXNSSMCTSA-N 1 2 359.445 2.593 20 30 FFEDLO CC(C)OCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001111639468 1029007018 /nfs/dbraw/zinc/00/70/18/1029007018.db2.gz PTGDLJHPEALQGP-PXNSSMCTSA-N 1 2 359.445 2.593 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC#Cc1ccccc1Cl)C2 ZINC001111666742 1029094035 /nfs/dbraw/zinc/09/40/35/1029094035.db2.gz KUEIALGFEIBKRK-KNBMTAEXSA-N 1 2 355.869 2.822 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC001111666742 1029094051 /nfs/dbraw/zinc/09/40/51/1029094051.db2.gz KUEIALGFEIBKRK-KNBMTAEXSA-N 1 2 355.869 2.822 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C(C)C)o1)C2 ZINC001111711270 1029209542 /nfs/dbraw/zinc/20/95/42/1029209542.db2.gz KZIQEYBQCXZCTN-JXFKEZNVSA-N 1 2 358.486 2.857 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C(C)C)o1)C2 ZINC001111711270 1029209553 /nfs/dbraw/zinc/20/95/53/1029209553.db2.gz KZIQEYBQCXZCTN-JXFKEZNVSA-N 1 2 358.486 2.857 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1C(C)(C)C)C2 ZINC001111711435 1029209811 /nfs/dbraw/zinc/20/98/11/1029209811.db2.gz SZDODXANESQLPI-UWJYYQICSA-N 1 2 371.529 2.697 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1C(C)(C)C)C2 ZINC001111711435 1029209824 /nfs/dbraw/zinc/20/98/24/1029209824.db2.gz SZDODXANESQLPI-UWJYYQICSA-N 1 2 371.529 2.697 20 30 FFEDLO N#Cc1ccc2c(c1)n[nH]c2C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001156876534 1029384182 /nfs/dbraw/zinc/38/41/82/1029384182.db2.gz DUTHGLKDZJACRU-QPJJXVBHSA-N 1 2 371.444 2.906 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1CCC)C2 ZINC001111850419 1029615763 /nfs/dbraw/zinc/61/57/63/1029615763.db2.gz LWWQWCSSWYOCOK-ZWOKBUDYSA-N 1 2 359.518 2.761 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1CCC)C2 ZINC001111850419 1029615767 /nfs/dbraw/zinc/61/57/67/1029615767.db2.gz LWWQWCSSWYOCOK-ZWOKBUDYSA-N 1 2 359.518 2.761 20 30 FFEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1c1ccc(Cl)c(C#N)n1 ZINC001165653024 1030070414 /nfs/dbraw/zinc/07/04/14/1030070414.db2.gz QODJMBDMLOZVQC-MRXNPFEDSA-N 1 2 372.860 2.624 20 30 FFEDLO Cc1ccc(N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)nc1C#N ZINC001165739742 1030104057 /nfs/dbraw/zinc/10/40/57/1030104057.db2.gz HRPBVQIXCICKJE-MRXNPFEDSA-N 1 2 360.421 2.569 20 30 FFEDLO C=CCOCc1nn(C)c2c1CN(c1nc(NC(C)C)c(C)c[nH+]1)CC2 ZINC001165786546 1030123990 /nfs/dbraw/zinc/12/39/90/1030123990.db2.gz AKXCZGRMFUNVLJ-UHFFFAOYSA-N 1 2 356.474 2.604 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(OC)c(C(F)(F)F)c2)C1=O ZINC001276416580 1030842236 /nfs/dbraw/zinc/84/22/36/1030842236.db2.gz HMQVYUBMQRHXJH-GOSISDBHSA-N 1 2 366.383 2.914 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(OC)c(C(F)(F)F)c2)C1=O ZINC001276416580 1030842256 /nfs/dbraw/zinc/84/22/56/1030842256.db2.gz HMQVYUBMQRHXJH-GOSISDBHSA-N 1 2 366.383 2.914 20 30 FFEDLO N#Cc1ccc2c(C[N@H+]3Cc4nccn4C[C@@H](Cn4cccn4)C3)c[nH]c2c1 ZINC001142928883 1031068721 /nfs/dbraw/zinc/06/87/21/1031068721.db2.gz NPJSACIPEILGQJ-KRWDZBQOSA-N 1 2 371.448 2.765 20 30 FFEDLO N#Cc1ccc2c(C[N@@H+]3Cc4nccn4C[C@@H](Cn4cccn4)C3)c[nH]c2c1 ZINC001142928883 1031068737 /nfs/dbraw/zinc/06/87/37/1031068737.db2.gz NPJSACIPEILGQJ-KRWDZBQOSA-N 1 2 371.448 2.765 20 30 FFEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(I)c(O)c(OC)c2)C1 ZINC001204111182 1031106319 /nfs/dbraw/zinc/10/63/19/1031106319.db2.gz SEMOMIGLQCOSPF-LLVKDONJSA-N 1 2 371.218 2.851 20 30 FFEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(I)c(O)c(OC)c2)C1 ZINC001204111182 1031106327 /nfs/dbraw/zinc/10/63/27/1031106327.db2.gz SEMOMIGLQCOSPF-LLVKDONJSA-N 1 2 371.218 2.851 20 30 FFEDLO N#Cc1ccccc1C[NH+]1CCN(c2ccc3oc(C(N)=O)cc3c2)CC1 ZINC001204373239 1031261432 /nfs/dbraw/zinc/26/14/32/1031261432.db2.gz PSCSJHIJPQRNQR-UHFFFAOYSA-N 1 2 360.417 2.726 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCc3ncnc(N4CCCC4)c3CC2)c1F ZINC001143169681 1031279745 /nfs/dbraw/zinc/27/97/45/1031279745.db2.gz NSMOPKVDGVWLEU-UHFFFAOYSA-N 1 2 369.419 2.827 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CCc3ncnc(N4CCCC4)c3CC2)c1F ZINC001143169681 1031279761 /nfs/dbraw/zinc/27/97/61/1031279761.db2.gz NSMOPKVDGVWLEU-UHFFFAOYSA-N 1 2 369.419 2.827 20 30 FFEDLO C#CCNC(=O)C1CCN(c2cc[nH+]c3c(OCCC)cccc23)CC1 ZINC000798390521 1031386629 /nfs/dbraw/zinc/38/66/29/1031386629.db2.gz RJUXCUXZWRTOSV-UHFFFAOYSA-N 1 2 351.450 2.989 20 30 FFEDLO C=CCCC[C@H](C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC001149724927 1031578232 /nfs/dbraw/zinc/57/82/32/1031578232.db2.gz GVIZVDOQKRVHIA-RTWAWAEBSA-N 1 2 372.509 2.686 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(CC)no3)[C@H]2C1 ZINC001223271542 1033363298 /nfs/dbraw/zinc/36/32/98/1033363298.db2.gz KSUBWEKGCBFAAY-SJORKVTESA-N 1 2 358.486 2.639 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(CC)no3)[C@H]2C1 ZINC001223271542 1033363305 /nfs/dbraw/zinc/36/33/05/1033363305.db2.gz KSUBWEKGCBFAAY-SJORKVTESA-N 1 2 358.486 2.639 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001223587420 1033507138 /nfs/dbraw/zinc/50/71/38/1033507138.db2.gz WFSDDFCVNZLCGP-ZBFHGGJFSA-N 1 2 358.486 2.972 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001223587420 1033507147 /nfs/dbraw/zinc/50/71/47/1033507147.db2.gz WFSDDFCVNZLCGP-ZBFHGGJFSA-N 1 2 358.486 2.972 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CCc2cc(Cl)cc(Cl)c2)C[C@@H]1O ZINC001219344132 1033606602 /nfs/dbraw/zinc/60/66/02/1033606602.db2.gz BHTARMIETZQQTL-CVEARBPZSA-N 1 2 357.281 2.663 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CCc2cc(Cl)cc(Cl)c2)C[C@@H]1O ZINC001219344132 1033606606 /nfs/dbraw/zinc/60/66/06/1033606606.db2.gz BHTARMIETZQQTL-CVEARBPZSA-N 1 2 357.281 2.663 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(C)c(C)nc1Cl)C2 ZINC001276932346 1033651914 /nfs/dbraw/zinc/65/19/14/1033651914.db2.gz BSXZPVGKCMQETC-IBGZPJMESA-N 1 2 363.889 2.589 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(C)c(C)nc1Cl)C2 ZINC001276932346 1033651920 /nfs/dbraw/zinc/65/19/20/1033651920.db2.gz BSXZPVGKCMQETC-IBGZPJMESA-N 1 2 363.889 2.589 20 30 FFEDLO CC(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001219697460 1033762899 /nfs/dbraw/zinc/76/28/99/1033762899.db2.gz RIQPQPZDZKFTGO-MSOLQXFVSA-N 1 2 362.901 2.535 20 30 FFEDLO CC(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001219697460 1033762910 /nfs/dbraw/zinc/76/29/10/1033762910.db2.gz RIQPQPZDZKFTGO-MSOLQXFVSA-N 1 2 362.901 2.535 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@@H]1O ZINC001219702966 1033771705 /nfs/dbraw/zinc/77/17/05/1033771705.db2.gz OGULKDVHIWPKED-CABCVRRESA-N 1 2 357.281 2.780 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@@H]1O ZINC001219702966 1033771718 /nfs/dbraw/zinc/77/17/18/1033771718.db2.gz OGULKDVHIWPKED-CABCVRRESA-N 1 2 357.281 2.780 20 30 FFEDLO CCCC[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001220032611 1033949488 /nfs/dbraw/zinc/94/94/88/1033949488.db2.gz ZURINVILEZCGBR-QGTPRVQTSA-N 1 2 363.527 2.888 20 30 FFEDLO CCCC[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001220032611 1033949495 /nfs/dbraw/zinc/94/94/95/1033949495.db2.gz ZURINVILEZCGBR-QGTPRVQTSA-N 1 2 363.527 2.888 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2sccc2Cl)C[C@@H]1O ZINC001220144456 1034002736 /nfs/dbraw/zinc/00/27/36/1034002736.db2.gz GCVRIJOMZASWGM-CABCVRRESA-N 1 2 354.903 2.647 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2sccc2Cl)C[C@@H]1O ZINC001220144456 1034002751 /nfs/dbraw/zinc/00/27/51/1034002751.db2.gz GCVRIJOMZASWGM-CABCVRRESA-N 1 2 354.903 2.647 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2Cl)C[C@@H]1O ZINC001220205978 1034047062 /nfs/dbraw/zinc/04/70/62/1034047062.db2.gz STLHKZAHFKTZES-BMFZPTHFSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2Cl)C[C@@H]1O ZINC001220205978 1034047076 /nfs/dbraw/zinc/04/70/76/1034047076.db2.gz STLHKZAHFKTZES-BMFZPTHFSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)C[C@@H]1O ZINC001220247548 1034067625 /nfs/dbraw/zinc/06/76/25/1034067625.db2.gz HKLHCJSJPMPHBY-SJORKVTESA-N 1 2 354.853 2.539 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@@H]1O ZINC001220247548 1034067640 /nfs/dbraw/zinc/06/76/40/1034067640.db2.gz HKLHCJSJPMPHBY-SJORKVTESA-N 1 2 354.853 2.539 20 30 FFEDLO C#Cc1ccccc1CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC001535554081 1069834542 /nfs/dbraw/zinc/83/45/42/1069834542.db2.gz YIAOHCAFWJMDOW-JOCHJYFZSA-N 1 2 362.473 2.536 20 30 FFEDLO C#Cc1ccccc1CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC001535554081 1069834557 /nfs/dbraw/zinc/83/45/57/1069834557.db2.gz YIAOHCAFWJMDOW-JOCHJYFZSA-N 1 2 362.473 2.536 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)o2)C[C@@H]1O ZINC001220435613 1034175178 /nfs/dbraw/zinc/17/51/78/1034175178.db2.gz HILDOAWGURRRCI-MSOLQXFVSA-N 1 2 369.465 2.605 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)o2)C[C@@H]1O ZINC001220435613 1034175189 /nfs/dbraw/zinc/17/51/89/1034175189.db2.gz HILDOAWGURRRCI-MSOLQXFVSA-N 1 2 369.465 2.605 20 30 FFEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001220595760 1034278521 /nfs/dbraw/zinc/27/85/21/1034278521.db2.gz FLRKBVQADJCAKB-IPELMVKDSA-N 1 2 362.901 2.679 20 30 FFEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001220595760 1034278526 /nfs/dbraw/zinc/27/85/26/1034278526.db2.gz FLRKBVQADJCAKB-IPELMVKDSA-N 1 2 362.901 2.679 20 30 FFEDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccc(C#N)n2C)CC1 ZINC000831869797 1034363749 /nfs/dbraw/zinc/36/37/49/1034363749.db2.gz YTWBSEODRXHJKP-GOSISDBHSA-N 1 2 354.429 2.945 20 30 FFEDLO CCCCCC[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001220762688 1034382724 /nfs/dbraw/zinc/38/27/24/1034382724.db2.gz RMNWPNLCASGKSX-QRVBRYPASA-N 1 2 361.461 2.528 20 30 FFEDLO CCCCCC[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001220762688 1034382732 /nfs/dbraw/zinc/38/27/32/1034382732.db2.gz RMNWPNLCASGKSX-QRVBRYPASA-N 1 2 361.461 2.528 20 30 FFEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001220836902 1034419716 /nfs/dbraw/zinc/41/97/16/1034419716.db2.gz KGYLYAGDPSAIHS-MOPGFXCFSA-N 1 2 364.534 2.612 20 30 FFEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001220836902 1034419720 /nfs/dbraw/zinc/41/97/20/1034419720.db2.gz KGYLYAGDPSAIHS-MOPGFXCFSA-N 1 2 364.534 2.612 20 30 FFEDLO CC(C)SCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221283818 1034644914 /nfs/dbraw/zinc/64/49/14/1034644914.db2.gz GQJVVHGJSKGDAW-CRAIPNDOSA-N 1 2 361.486 2.872 20 30 FFEDLO CC(C)SCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221283818 1034644922 /nfs/dbraw/zinc/64/49/22/1034644922.db2.gz GQJVVHGJSKGDAW-CRAIPNDOSA-N 1 2 361.486 2.872 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccnn1[C@H]1CCCCO1)CCC2 ZINC001138779362 1034650391 /nfs/dbraw/zinc/65/03/91/1034650391.db2.gz SLADABYHWAQXEW-HXUWFJFHSA-N 1 2 371.485 2.887 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccnn1[C@H]1CCCCO1)CCC2 ZINC001138779362 1034650400 /nfs/dbraw/zinc/65/04/00/1034650400.db2.gz SLADABYHWAQXEW-HXUWFJFHSA-N 1 2 371.485 2.887 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(OC)cc3)C[C@H]21 ZINC001221429103 1034748130 /nfs/dbraw/zinc/74/81/30/1034748130.db2.gz HREONODXWOQTOD-FRQCXROJSA-N 1 2 371.481 2.521 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(OC)cc3)C[C@H]21 ZINC001221429103 1034748143 /nfs/dbraw/zinc/74/81/43/1034748143.db2.gz HREONODXWOQTOD-FRQCXROJSA-N 1 2 371.481 2.521 20 30 FFEDLO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001138857879 1034748769 /nfs/dbraw/zinc/74/87/69/1034748769.db2.gz NWGCYQIQLNBKJA-MRXNPFEDSA-N 1 2 354.410 2.501 20 30 FFEDLO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001138857879 1034748783 /nfs/dbraw/zinc/74/87/83/1034748783.db2.gz NWGCYQIQLNBKJA-MRXNPFEDSA-N 1 2 354.410 2.501 20 30 FFEDLO CSC[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221447457 1034773958 /nfs/dbraw/zinc/77/39/58/1034773958.db2.gz JVBRZFRHPCDGGB-DDUZABMNSA-N 1 2 361.486 2.729 20 30 FFEDLO CSC[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221447457 1034773969 /nfs/dbraw/zinc/77/39/69/1034773969.db2.gz JVBRZFRHPCDGGB-DDUZABMNSA-N 1 2 361.486 2.729 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cnc4[nH]ccc4c3Cl)CC2)c1 ZINC001138935834 1034825126 /nfs/dbraw/zinc/82/51/26/1034825126.db2.gz JGVYUPVFGCETLC-UHFFFAOYSA-N 1 2 352.829 2.757 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(-c4ccco4)on3)C[C@H]21 ZINC001221514431 1034833271 /nfs/dbraw/zinc/83/32/71/1034833271.db2.gz YHVZFSJQEBATHI-NVXWUHKLSA-N 1 2 353.422 2.771 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(-c4ccco4)on3)C[C@H]21 ZINC001221514431 1034833283 /nfs/dbraw/zinc/83/32/83/1034833283.db2.gz YHVZFSJQEBATHI-NVXWUHKLSA-N 1 2 353.422 2.771 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC001221538942 1034856456 /nfs/dbraw/zinc/85/64/56/1034856456.db2.gz HMYCJQLXUMRFAC-PMUMKWKESA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC001221538942 1034856467 /nfs/dbraw/zinc/85/64/67/1034856467.db2.gz HMYCJQLXUMRFAC-PMUMKWKESA-N 1 2 364.848 2.550 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)oc3C)C[C@H]21)OCC ZINC001221586730 1034899980 /nfs/dbraw/zinc/89/99/80/1034899980.db2.gz PUQZNKLPJHKHHR-BHIYHBOVSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)oc3C)C[C@H]21)OCC ZINC001221586730 1034899988 /nfs/dbraw/zinc/89/99/88/1034899988.db2.gz PUQZNKLPJHKHHR-BHIYHBOVSA-N 1 2 361.486 2.695 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@H](C)CCCCC)C[C@H]21 ZINC001221735687 1035027328 /nfs/dbraw/zinc/02/73/28/1035027328.db2.gz QJXATFSAQDHAEY-KZNAEPCWSA-N 1 2 363.546 2.816 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@H](C)CCCCC)C[C@H]21 ZINC001221735687 1035027334 /nfs/dbraw/zinc/02/73/34/1035027334.db2.gz QJXATFSAQDHAEY-KZNAEPCWSA-N 1 2 363.546 2.816 20 30 FFEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cnc(C)nc1C(F)(F)F)CC2 ZINC001276399811 1035102804 /nfs/dbraw/zinc/10/28/04/1035102804.db2.gz XFUHLOFGWZKQIE-AWEZNQCLSA-N 1 2 368.403 2.708 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H](C1)O2 ZINC001139646213 1035188517 /nfs/dbraw/zinc/18/85/17/1035188517.db2.gz LUTMYWCBLULMEV-IYBDPMFKSA-N 1 2 361.417 2.517 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H](C1)O2 ZINC001139646213 1035188518 /nfs/dbraw/zinc/18/85/18/1035188518.db2.gz LUTMYWCBLULMEV-IYBDPMFKSA-N 1 2 361.417 2.517 20 30 FFEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1ccc(C)c(C#N)c1 ZINC001139724898 1035209008 /nfs/dbraw/zinc/20/90/08/1035209008.db2.gz UQEKFCUXPYZQQT-FQEVSTJZSA-N 1 2 365.481 2.880 20 30 FFEDLO N#Cc1cccc(CN2CC[C@]3(CCC[N@@H+]3Cc3cnsc3)C2=O)c1 ZINC001277648302 1035587248 /nfs/dbraw/zinc/58/72/48/1035587248.db2.gz JPFJHNOAMYKLFN-LJQANCHMSA-N 1 2 352.463 2.782 20 30 FFEDLO N#Cc1cccc(CN2CC[C@]3(CCC[N@H+]3Cc3cnsc3)C2=O)c1 ZINC001277648302 1035587257 /nfs/dbraw/zinc/58/72/57/1035587257.db2.gz JPFJHNOAMYKLFN-LJQANCHMSA-N 1 2 352.463 2.782 20 30 FFEDLO COc1cc(Br)c(F)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001227606406 1035633832 /nfs/dbraw/zinc/63/38/32/1035633832.db2.gz IPXDTDIEUIHPFJ-LDGUKNRMSA-N 1 2 358.207 2.588 20 30 FFEDLO COc1cc(Br)c(F)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001227606406 1035633835 /nfs/dbraw/zinc/63/38/35/1035633835.db2.gz IPXDTDIEUIHPFJ-LDGUKNRMSA-N 1 2 358.207 2.588 20 30 FFEDLO C[C@@H](Oc1ccc(O)c(C#N)c1C#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001227619260 1035641013 /nfs/dbraw/zinc/64/10/13/1035641013.db2.gz QJSOUPHLTJDCST-QVKFZJNVSA-N 1 2 363.417 2.804 20 30 FFEDLO C[C@@H](Oc1ccc(O)c(C#N)c1C#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001227619260 1035641022 /nfs/dbraw/zinc/64/10/22/1035641022.db2.gz QJSOUPHLTJDCST-QVKFZJNVSA-N 1 2 363.417 2.804 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])c(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1F ZINC001227873946 1035781455 /nfs/dbraw/zinc/78/14/55/1035781455.db2.gz BZORRTAJTJGSIG-INIZCTEOSA-N 1 2 371.368 2.885 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])c(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1F ZINC001227873946 1035781475 /nfs/dbraw/zinc/78/14/75/1035781475.db2.gz BZORRTAJTJGSIG-INIZCTEOSA-N 1 2 371.368 2.885 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)c1 ZINC001232674764 1035931640 /nfs/dbraw/zinc/93/16/40/1035931640.db2.gz DLADHAMXFGMKQG-IBGZPJMESA-N 1 2 365.433 2.861 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCn3cnc(COCC4CC4)c3C2)c1 ZINC001232676191 1035932382 /nfs/dbraw/zinc/93/23/82/1035932382.db2.gz GUIIQFLDACVSTO-UHFFFAOYSA-N 1 2 352.438 2.793 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCCn3cnc(COCC4CC4)c3C2)c1 ZINC001232676191 1035932392 /nfs/dbraw/zinc/93/23/92/1035932392.db2.gz GUIIQFLDACVSTO-UHFFFAOYSA-N 1 2 352.438 2.793 20 30 FFEDLO C[N@H+](CC(=O)c1cccc(OC2CN(CCC#N)C2)c1)Cc1ccccc1 ZINC001228105884 1035936884 /nfs/dbraw/zinc/93/68/84/1035936884.db2.gz ZUARVOBBWXQSGC-UHFFFAOYSA-N 1 2 363.461 2.978 20 30 FFEDLO C[N@@H+](CC(=O)c1cccc(OC2CN(CCC#N)C2)c1)Cc1ccccc1 ZINC001228105884 1035936899 /nfs/dbraw/zinc/93/68/99/1035936899.db2.gz ZUARVOBBWXQSGC-UHFFFAOYSA-N 1 2 363.461 2.978 20 30 FFEDLO COCCOc1ccc(N2CC[NH+](Cc3cc(C#N)ccc3O)CC2)cc1 ZINC001232677960 1035937034 /nfs/dbraw/zinc/93/70/34/1035937034.db2.gz MRFGLLOUUFGKQH-UHFFFAOYSA-N 1 2 367.449 2.611 20 30 FFEDLO CCOc1cc([C@H]2OC[C@@H](C)O2)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001228164128 1035967618 /nfs/dbraw/zinc/96/76/18/1035967618.db2.gz JFJPUBSFASFBLR-LFSVQFKRSA-N 1 2 361.438 2.510 20 30 FFEDLO CCOc1cc([C@H]2OC[C@@H](C)O2)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001228164128 1035967623 /nfs/dbraw/zinc/96/76/23/1035967623.db2.gz JFJPUBSFASFBLR-LFSVQFKRSA-N 1 2 361.438 2.510 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](Cc2cncc(-c3ccccc3)c2)CC1 ZINC001232902407 1036141059 /nfs/dbraw/zinc/14/10/59/1036141059.db2.gz KKMVRFDLDZKRTK-UHFFFAOYSA-N 1 2 356.433 2.732 20 30 FFEDLO CSc1ncc(C#N)c(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001228680938 1036253130 /nfs/dbraw/zinc/25/31/30/1036253130.db2.gz CPJGOOPXJGDWFP-INIZCTEOSA-N 1 2 351.435 2.595 20 30 FFEDLO CSc1ncc(C#N)c(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001228680938 1036253147 /nfs/dbraw/zinc/25/31/47/1036253147.db2.gz CPJGOOPXJGDWFP-INIZCTEOSA-N 1 2 351.435 2.595 20 30 FFEDLO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3nc4ccccn4n3)C2)CC1 ZINC001233067635 1036311983 /nfs/dbraw/zinc/31/19/83/1036311983.db2.gz DBCDKDKHYILBBQ-UHFFFAOYSA-N 1 2 369.469 2.730 20 30 FFEDLO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3nc4ccccn4n3)C2)CC1 ZINC001233067635 1036312001 /nfs/dbraw/zinc/31/20/01/1036312001.db2.gz DBCDKDKHYILBBQ-UHFFFAOYSA-N 1 2 369.469 2.730 20 30 FFEDLO COc1cc(C[N@@H+]2CCC[C@]23CCN(CCCC#N)C3=O)cc(F)c1F ZINC001277347123 1036446987 /nfs/dbraw/zinc/44/69/87/1036446987.db2.gz QZZWBLASPXRQPG-LJQANCHMSA-N 1 2 363.408 2.844 20 30 FFEDLO COc1cc(C[N@H+]2CCC[C@]23CCN(CCCC#N)C3=O)cc(F)c1F ZINC001277347123 1036446988 /nfs/dbraw/zinc/44/69/88/1036446988.db2.gz QZZWBLASPXRQPG-LJQANCHMSA-N 1 2 363.408 2.844 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(F)c(OC)ccc1OC ZINC001277358317 1036512191 /nfs/dbraw/zinc/51/21/91/1036512191.db2.gz UTWANYXMKNMAFV-FQEVSTJZSA-N 1 2 362.445 2.986 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(F)c(OC)ccc1OC ZINC001277358317 1036512202 /nfs/dbraw/zinc/51/22/02/1036512202.db2.gz UTWANYXMKNMAFV-FQEVSTJZSA-N 1 2 362.445 2.986 20 30 FFEDLO CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cn3cc(C#N)ccc3n2)C1=O ZINC001277377211 1036616225 /nfs/dbraw/zinc/61/62/25/1036616225.db2.gz FLYTYXGACANARZ-HXUWFJFHSA-N 1 2 351.454 2.573 20 30 FFEDLO CCCCN1CC[C@]2(CCC[N@H+]2Cc2cn3cc(C#N)ccc3n2)C1=O ZINC001277377211 1036616232 /nfs/dbraw/zinc/61/62/32/1036616232.db2.gz FLYTYXGACANARZ-HXUWFJFHSA-N 1 2 351.454 2.573 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)C1 ZINC001233948863 1036839007 /nfs/dbraw/zinc/83/90/07/1036839007.db2.gz OOCBHSBVZUKADY-OAHLLOKOSA-N 1 2 362.389 2.566 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)C1 ZINC001233948863 1036839026 /nfs/dbraw/zinc/83/90/26/1036839026.db2.gz OOCBHSBVZUKADY-OAHLLOKOSA-N 1 2 362.389 2.566 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Cl)c(Cl)cc2O)C1=O ZINC001277829906 1036908117 /nfs/dbraw/zinc/90/81/17/1036908117.db2.gz KMJOEIVASFRTAT-KRWDZBQOSA-N 1 2 353.249 2.899 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccn(-c3ccccc3)n2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001206948395 1036970018 /nfs/dbraw/zinc/97/00/18/1036970018.db2.gz IUMXYXOVFFJBFW-YLJYHZDGSA-N 1 2 364.493 2.858 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccn(-c3ccccc3)n2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001206948395 1036970035 /nfs/dbraw/zinc/97/00/35/1036970035.db2.gz IUMXYXOVFFJBFW-YLJYHZDGSA-N 1 2 364.493 2.858 20 30 FFEDLO C#CCCOc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3nocc3C)C[C@H]2C)cc1 ZINC001206956252 1036983997 /nfs/dbraw/zinc/98/39/97/1036983997.db2.gz BAZXDFBHTKOWQJ-DNVCBOLYSA-N 1 2 367.449 2.635 20 30 FFEDLO C#CCCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3nocc3C)C[C@H]2C)cc1 ZINC001206956252 1036984012 /nfs/dbraw/zinc/98/40/12/1036984012.db2.gz BAZXDFBHTKOWQJ-DNVCBOLYSA-N 1 2 367.449 2.635 20 30 FFEDLO N#Cc1ccc2nc(=O)[nH]c(O[C@@H]3CC[N@H+](Cc4ccccc4C#N)C3)c2c1 ZINC001234529707 1037074177 /nfs/dbraw/zinc/07/41/77/1037074177.db2.gz DEXVSXVQBTZKCE-QGZVFWFLSA-N 1 2 371.400 2.732 20 30 FFEDLO N#Cc1ccc2nc(=O)[nH]c(O[C@@H]3CC[N@@H+](Cc4ccccc4C#N)C3)c2c1 ZINC001234529707 1037074183 /nfs/dbraw/zinc/07/41/83/1037074183.db2.gz DEXVSXVQBTZKCE-QGZVFWFLSA-N 1 2 371.400 2.732 20 30 FFEDLO Cn1cnc2c1[C@@H](COCC1CCCC1)C[N@@H+](Cc1cc(C#N)n(C)c1)C2 ZINC001207104469 1037149508 /nfs/dbraw/zinc/14/95/08/1037149508.db2.gz SJWZOYMSAVSRCP-GOSISDBHSA-N 1 2 367.497 2.936 20 30 FFEDLO Cn1cnc2c1[C@@H](COCC1CCCC1)C[N@H+](Cc1cc(C#N)n(C)c1)C2 ZINC001207104469 1037149514 /nfs/dbraw/zinc/14/95/14/1037149514.db2.gz SJWZOYMSAVSRCP-GOSISDBHSA-N 1 2 367.497 2.936 20 30 FFEDLO Cc1nc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC#Cc2ccccc2)no1 ZINC001230229795 1037163664 /nfs/dbraw/zinc/16/36/64/1037163664.db2.gz WPJFMUGFYDFNQO-KFKAGJAMSA-N 1 2 366.465 2.898 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cncc(C)c2)Cc2nnn(CC3CC3)c21 ZINC001207156570 1037200698 /nfs/dbraw/zinc/20/06/98/1037200698.db2.gz XPXKCSNRDSNEIT-SFHVURJKSA-N 1 2 353.470 2.694 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](Cc2cncc(C)c2)Cc2nnn(CC3CC3)c21 ZINC001207156570 1037200715 /nfs/dbraw/zinc/20/07/15/1037200715.db2.gz XPXKCSNRDSNEIT-SFHVURJKSA-N 1 2 353.470 2.694 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001207165345 1037215115 /nfs/dbraw/zinc/21/51/15/1037215115.db2.gz KDNQWCSTKHZJOE-RHSMWYFYSA-N 1 2 361.461 2.803 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001207165345 1037215129 /nfs/dbraw/zinc/21/51/29/1037215129.db2.gz KDNQWCSTKHZJOE-RHSMWYFYSA-N 1 2 361.461 2.803 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2F)C[C@H]1C ZINC001207190916 1037235481 /nfs/dbraw/zinc/23/54/81/1037235481.db2.gz ZYONWQLEUWRGEB-RVKKMQEKSA-N 1 2 361.461 2.946 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2F)C[C@H]1C ZINC001207190916 1037235501 /nfs/dbraw/zinc/23/55/01/1037235501.db2.gz ZYONWQLEUWRGEB-RVKKMQEKSA-N 1 2 361.461 2.946 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCCN2c1nc(NCC2CC2)c(C)c[nH+]1 ZINC001277920723 1037343164 /nfs/dbraw/zinc/34/31/64/1037343164.db2.gz BDNPSIYCJQOQTH-HXUWFJFHSA-N 1 2 355.486 2.754 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCCN2c1nc(NC2CC2)c(C)c[nH+]1 ZINC001277925519 1037379873 /nfs/dbraw/zinc/37/98/73/1037379873.db2.gz GUZRXLCNYXPFOM-FQEVSTJZSA-N 1 2 355.486 2.897 20 30 FFEDLO CC(=O)[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)cc(C#N)c1)CC2 ZINC001277480038 1037438410 /nfs/dbraw/zinc/43/84/10/1037438410.db2.gz ZSCZHQFLSUUGAT-SCLBCKFNSA-N 1 2 373.884 2.907 20 30 FFEDLO COCCCOc1ccc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)cc1OC ZINC001231541293 1037665403 /nfs/dbraw/zinc/66/54/03/1037665403.db2.gz RYQRJDOIUASORZ-GOSISDBHSA-N 1 2 363.479 2.885 20 30 FFEDLO COCCCOc1ccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cc1OC ZINC001231541293 1037665410 /nfs/dbraw/zinc/66/54/10/1037665410.db2.gz RYQRJDOIUASORZ-GOSISDBHSA-N 1 2 363.479 2.885 20 30 FFEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3nc4cc(F)ccc4[nH]3)CC2)nc1 ZINC001235698520 1037696407 /nfs/dbraw/zinc/69/64/07/1037696407.db2.gz VVUGNKVHIKEIHR-UHFFFAOYSA-N 1 2 350.401 2.681 20 30 FFEDLO N#Cc1ccc(N2CCC[N@H+](Cc3nc4cc(F)ccc4[nH]3)CC2)nc1 ZINC001235698520 1037696416 /nfs/dbraw/zinc/69/64/16/1037696416.db2.gz VVUGNKVHIKEIHR-UHFFFAOYSA-N 1 2 350.401 2.681 20 30 FFEDLO N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2cccnc2C(F)(F)F)C1=O ZINC001276557371 1038059034 /nfs/dbraw/zinc/05/90/34/1038059034.db2.gz JUIKVEPABXGLRT-QGZVFWFLSA-N 1 2 366.387 2.971 20 30 FFEDLO N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cccnc2C(F)(F)F)C1=O ZINC001276557371 1038059054 /nfs/dbraw/zinc/05/90/54/1038059054.db2.gz JUIKVEPABXGLRT-QGZVFWFLSA-N 1 2 366.387 2.971 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(F)cc4c3OCCC4)CC2)c1 ZINC001236629069 1038162749 /nfs/dbraw/zinc/16/27/49/1038162749.db2.gz GXXKKFUIPKMDCC-UHFFFAOYSA-N 1 2 352.413 2.740 20 30 FFEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cccc(C(=O)OCC)n1)CCO2 ZINC001236645645 1038172343 /nfs/dbraw/zinc/17/23/43/1038172343.db2.gz PBMAGYRYEBGCPY-LAUBAEHRSA-N 1 2 374.481 2.832 20 30 FFEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cccc(C(=O)OCC)n1)CCO2 ZINC001236645645 1038172345 /nfs/dbraw/zinc/17/23/45/1038172345.db2.gz PBMAGYRYEBGCPY-LAUBAEHRSA-N 1 2 374.481 2.832 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ncccc1Br ZINC001277619627 1038197373 /nfs/dbraw/zinc/19/73/73/1038197373.db2.gz PICHHTMMAQIUEJ-KRWDZBQOSA-N 1 2 364.287 2.987 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ncccc1Br ZINC001277619627 1038197379 /nfs/dbraw/zinc/19/73/79/1038197379.db2.gz PICHHTMMAQIUEJ-KRWDZBQOSA-N 1 2 364.287 2.987 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(CC)c2)C[C@H]1C ZINC001208318031 1038209994 /nfs/dbraw/zinc/20/99/94/1038209994.db2.gz GEQRVYHUWGVIKA-CRAIPNDOSA-N 1 2 357.498 2.836 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(CC)c2)C[C@H]1C ZINC001208318031 1038210006 /nfs/dbraw/zinc/21/00/06/1038210006.db2.gz GEQRVYHUWGVIKA-CRAIPNDOSA-N 1 2 357.498 2.836 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3cccs3)o2)C[C@H]1C ZINC001208318312 1038210071 /nfs/dbraw/zinc/21/00/71/1038210071.db2.gz SAIZGZMLELQJIH-CHWSQXEVSA-N 1 2 360.483 2.947 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3cccs3)o2)C[C@H]1C ZINC001208318312 1038210089 /nfs/dbraw/zinc/21/00/89/1038210089.db2.gz SAIZGZMLELQJIH-CHWSQXEVSA-N 1 2 360.483 2.947 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2cccs2)C[C@H]1C ZINC001208318456 1038211672 /nfs/dbraw/zinc/21/16/72/1038211672.db2.gz YFPKOCHOIHRIGI-RBSFLKMASA-N 1 2 363.527 2.574 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2cccs2)C[C@H]1C ZINC001208318456 1038211687 /nfs/dbraw/zinc/21/16/87/1038211687.db2.gz YFPKOCHOIHRIGI-RBSFLKMASA-N 1 2 363.527 2.574 20 30 FFEDLO COc1cc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)c(O)cc1Br ZINC001236748577 1038233679 /nfs/dbraw/zinc/23/36/79/1038233679.db2.gz RTICCAUHQQQPIP-AWEZNQCLSA-N 1 2 370.268 2.937 20 30 FFEDLO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C)cc1C#N ZINC001278006962 1038248293 /nfs/dbraw/zinc/24/82/93/1038248293.db2.gz VKIRAVGGFIJZAG-KKSFZXQISA-N 1 2 353.466 2.801 20 30 FFEDLO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C)cc1C#N ZINC001278006962 1038248303 /nfs/dbraw/zinc/24/83/03/1038248303.db2.gz VKIRAVGGFIJZAG-KKSFZXQISA-N 1 2 353.466 2.801 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC001208391835 1038279479 /nfs/dbraw/zinc/27/94/79/1038279479.db2.gz ZMZZLWUIUSAYLM-RRFJBIMHSA-N 1 2 358.442 2.868 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC001208391835 1038279489 /nfs/dbraw/zinc/27/94/89/1038279489.db2.gz ZMZZLWUIUSAYLM-RRFJBIMHSA-N 1 2 358.442 2.868 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccoc3)no2)C[C@H]1C ZINC001208509248 1038370273 /nfs/dbraw/zinc/37/02/73/1038370273.db2.gz XNSDZXXKRKSSDS-ZXYWRSMDSA-N 1 2 358.442 2.868 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccoc3)no2)C[C@H]1C ZINC001208509248 1038370278 /nfs/dbraw/zinc/37/02/78/1038370278.db2.gz XNSDZXXKRKSSDS-ZXYWRSMDSA-N 1 2 358.442 2.868 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cccc(O)c4Cl)C3)C2)cc1C#N ZINC001278910798 1038383023 /nfs/dbraw/zinc/38/30/23/1038383023.db2.gz OLWNWSUMWCUFPS-UHFFFAOYSA-N 1 2 356.857 2.574 20 30 FFEDLO C=CC[C@H]([NH2+]C1CCN(c2ncccc2C(F)(F)F)CC1)C(=O)OC ZINC001256884221 1038645748 /nfs/dbraw/zinc/64/57/48/1038645748.db2.gz SWVFZODXCFFNND-AWEZNQCLSA-N 1 2 357.376 2.777 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](CCCOCc3ccccc3)C[C@@]2(F)C1=O ZINC001276641689 1038901964 /nfs/dbraw/zinc/90/19/64/1038901964.db2.gz CLWCQABXKXOKQB-VQTJNVASSA-N 1 2 364.436 2.744 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](CCCOCc3ccccc3)C[C@@]2(F)C1=O ZINC001276641689 1038901979 /nfs/dbraw/zinc/90/19/79/1038901979.db2.gz CLWCQABXKXOKQB-VQTJNVASSA-N 1 2 364.436 2.744 20 30 FFEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cc3c(cn1)OCCC3)CCO2 ZINC001209500716 1038929776 /nfs/dbraw/zinc/92/97/76/1038929776.db2.gz DFKYFYZHGDWCMO-GHTZIAJQSA-N 1 2 358.482 2.980 20 30 FFEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cc3c(cn1)OCCC3)CCO2 ZINC001209500716 1038929787 /nfs/dbraw/zinc/92/97/87/1038929787.db2.gz DFKYFYZHGDWCMO-GHTZIAJQSA-N 1 2 358.482 2.980 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Br)c[nH]1 ZINC001276660919 1039106293 /nfs/dbraw/zinc/10/62/93/1039106293.db2.gz MLZOKYMROKSKOB-MRXNPFEDSA-N 1 2 352.276 2.920 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Br)c[nH]1 ZINC001276660919 1039106301 /nfs/dbraw/zinc/10/63/01/1039106301.db2.gz MLZOKYMROKSKOB-MRXNPFEDSA-N 1 2 352.276 2.920 20 30 FFEDLO COC(=O)c1cc(C#N)cc(Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC001209933270 1039294718 /nfs/dbraw/zinc/29/47/18/1039294718.db2.gz YMKWBBSLLUJUGQ-UHFFFAOYSA-N 1 2 351.406 2.921 20 30 FFEDLO Cc1cc(Br)c(CN2CC[NH2+]C[C@@H]2C#N)c(Br)c1 ZINC001210122061 1039393049 /nfs/dbraw/zinc/39/30/49/1039393049.db2.gz PAZIILZBTPSPTF-JTQLQIEISA-N 1 2 373.092 2.817 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1Cc1c(F)c(Cl)c(F)cc1Br ZINC001210121962 1039394025 /nfs/dbraw/zinc/39/40/25/1039394025.db2.gz OJYRRIPLMRDRQG-SSDOTTSWSA-N 1 2 350.594 2.678 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)c4cc(F)ccc4Cl)C3)C2)cc1C#N ZINC001278642635 1039415625 /nfs/dbraw/zinc/41/56/25/1039415625.db2.gz PGDQDNNPQWKULX-UHFFFAOYSA-N 1 2 372.831 2.647 20 30 FFEDLO Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)cc1 ZINC001252244072 1039464187 /nfs/dbraw/zinc/46/41/87/1039464187.db2.gz QMCZVZMXQKZRNY-UHFFFAOYSA-N 1 2 369.490 2.810 20 30 FFEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](C)Cc1ccccc1OC ZINC001258886387 1039561120 /nfs/dbraw/zinc/56/11/20/1039561120.db2.gz KERCYBFMCZESDL-HNAYVOBHSA-N 1 2 352.434 2.872 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)c2ccccc2)C1 ZINC001210688032 1039672099 /nfs/dbraw/zinc/67/20/99/1039672099.db2.gz LVHCKEACMNCJHY-IIDMSEBBSA-N 1 2 350.890 2.996 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)c2ccccc2)C1 ZINC001210688032 1039672106 /nfs/dbraw/zinc/67/21/06/1039672106.db2.gz LVHCKEACMNCJHY-IIDMSEBBSA-N 1 2 350.890 2.996 20 30 FFEDLO N#Cc1cc(Cl)c(-c2noc([C@@H](CO)n3cc[nH+]c3)n2)cc1Cl ZINC001247260650 1039679311 /nfs/dbraw/zinc/67/93/11/1039679311.db2.gz GJQCYFJQVBWLCU-GFCCVEGCSA-N 1 2 350.165 2.693 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)cc1 ZINC001210994186 1039887539 /nfs/dbraw/zinc/88/75/39/1039887539.db2.gz FTMVGXFDTAAQQR-MOPGFXCFSA-N 1 2 358.438 2.531 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)cc1 ZINC001210994186 1039887564 /nfs/dbraw/zinc/88/75/64/1039887564.db2.gz FTMVGXFDTAAQQR-MOPGFXCFSA-N 1 2 358.438 2.531 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2nonc2C)C[C@H]1C)c1ccccc1 ZINC001211224128 1040010146 /nfs/dbraw/zinc/01/01/46/1040010146.db2.gz KYSYNMWHBAHHNW-QGPMSJSTSA-N 1 2 354.454 2.674 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2nonc2C)C[C@H]1C)c1ccccc1 ZINC001211224128 1040010165 /nfs/dbraw/zinc/01/01/65/1040010165.db2.gz KYSYNMWHBAHHNW-QGPMSJSTSA-N 1 2 354.454 2.674 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1C ZINC001211423170 1040182933 /nfs/dbraw/zinc/18/29/33/1040182933.db2.gz ZGSNUMWODHMQDO-VQIMIIECSA-N 1 2 369.465 2.871 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1C ZINC001211423170 1040182936 /nfs/dbraw/zinc/18/29/36/1040182936.db2.gz ZGSNUMWODHMQDO-VQIMIIECSA-N 1 2 369.465 2.871 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3c2c(F)ccc3F)C[C@H]1OC ZINC001213267986 1040390377 /nfs/dbraw/zinc/39/03/77/1040390377.db2.gz DUDTXPBOHPGICI-BRWVUGGUSA-N 1 2 364.436 2.980 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3c2c(F)ccc3F)C[C@H]1OC ZINC001213267986 1040390390 /nfs/dbraw/zinc/39/03/90/1040390390.db2.gz DUDTXPBOHPGICI-BRWVUGGUSA-N 1 2 364.436 2.980 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213269187 1040393342 /nfs/dbraw/zinc/39/33/42/1040393342.db2.gz CVHHGWJZNXOCBJ-WOJBJXKFSA-N 1 2 371.456 2.596 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213269187 1040393354 /nfs/dbraw/zinc/39/33/54/1040393354.db2.gz CVHHGWJZNXOCBJ-WOJBJXKFSA-N 1 2 371.456 2.596 20 30 FFEDLO C=C/C(C)=C/CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213285074 1040409298 /nfs/dbraw/zinc/40/92/98/1040409298.db2.gz DCUDEPPAZYMTOR-CPELWWHCSA-N 1 2 356.441 2.515 20 30 FFEDLO C=C/C(C)=C/CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213285074 1040409310 /nfs/dbraw/zinc/40/93/10/1040409310.db2.gz DCUDEPPAZYMTOR-CPELWWHCSA-N 1 2 356.441 2.515 20 30 FFEDLO C=C/C(C)=C/CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213285475 1040410302 /nfs/dbraw/zinc/41/03/02/1040410302.db2.gz SWKYKJRUYDWNQE-QIUVRHOZSA-N 1 2 357.429 2.535 20 30 FFEDLO C=C/C(C)=C/CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213285475 1040410304 /nfs/dbraw/zinc/41/03/04/1040410304.db2.gz SWKYKJRUYDWNQE-QIUVRHOZSA-N 1 2 357.429 2.535 20 30 FFEDLO C=C/C(C)=C/CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001213288066 1040412511 /nfs/dbraw/zinc/41/25/11/1040412511.db2.gz XEMXZMZEVWSZBN-QIUVRHOZSA-N 1 2 357.429 2.535 20 30 FFEDLO C=C/C(C)=C/CC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001213288066 1040412523 /nfs/dbraw/zinc/41/25/23/1040412523.db2.gz XEMXZMZEVWSZBN-QIUVRHOZSA-N 1 2 357.429 2.535 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)CCCC1CC1 ZINC001213305727 1040428374 /nfs/dbraw/zinc/42/83/74/1040428374.db2.gz OZSYYIWAWFXPQR-WOJBJXKFSA-N 1 2 358.457 2.573 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)CCCC1CC1 ZINC001213305727 1040428378 /nfs/dbraw/zinc/42/83/78/1040428378.db2.gz OZSYYIWAWFXPQR-WOJBJXKFSA-N 1 2 358.457 2.573 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2nc(C)c(C)s2)C[C@H]1OC ZINC001213319923 1040445795 /nfs/dbraw/zinc/44/57/95/1040445795.db2.gz GYEYIUYYOYQUQA-ARFHVFGLSA-N 1 2 351.516 2.678 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2nc(C)c(C)s2)C[C@H]1OC ZINC001213319923 1040445799 /nfs/dbraw/zinc/44/57/99/1040445799.db2.gz GYEYIUYYOYQUQA-ARFHVFGLSA-N 1 2 351.516 2.678 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1OC ZINC001213496143 1040609876 /nfs/dbraw/zinc/60/98/76/1040609876.db2.gz JHUSIPJVKRBJOU-IAGOWNOFSA-N 1 2 352.425 2.883 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1OC ZINC001213496143 1040609887 /nfs/dbraw/zinc/60/98/87/1040609887.db2.gz JHUSIPJVKRBJOU-IAGOWNOFSA-N 1 2 352.425 2.883 20 30 FFEDLO C=CCOC(=O)N1CC[NH+](Cc2c[nH]c3cc(C(=O)OCC)ccc23)CC1 ZINC001249165141 1040612674 /nfs/dbraw/zinc/61/26/74/1040612674.db2.gz VGBRWDSBIGZSRW-UHFFFAOYSA-N 1 2 371.437 2.785 20 30 FFEDLO Cc1cc(C)c(Nc2c(C#N)cnn2-c2ccc(S(C)(=O)=O)cc2)c[nH+]1 ZINC001213511105 1040625456 /nfs/dbraw/zinc/62/54/56/1040625456.db2.gz WLNVDUDUOJDNDN-UHFFFAOYSA-N 1 2 367.434 2.903 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@H](C)C(C)(C)C ZINC001213781825 1040901449 /nfs/dbraw/zinc/90/14/49/1040901449.db2.gz XGXBQWKJNQNMKG-KFKAGJAMSA-N 1 2 357.498 2.946 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@H](C)C(C)(C)C ZINC001213781825 1040901466 /nfs/dbraw/zinc/90/14/66/1040901466.db2.gz XGXBQWKJNQNMKG-KFKAGJAMSA-N 1 2 357.498 2.946 20 30 FFEDLO C#CC[C@H]([NH2+][C@@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C(=O)OC ZINC001254733680 1040916778 /nfs/dbraw/zinc/91/67/78/1040916778.db2.gz NHUXIHQOOSVJDF-CVEARBPZSA-N 1 2 364.486 2.711 20 30 FFEDLO C#CC[NH+]1CCN(Cc2cc(I)ccc2Cl)CC1 ZINC001249703317 1040951519 /nfs/dbraw/zinc/95/15/19/1040951519.db2.gz PCXBCDGREZSDKQ-UHFFFAOYSA-N 1 2 374.653 2.695 20 30 FFEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)N[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC001255165289 1041179301 /nfs/dbraw/zinc/17/93/01/1041179301.db2.gz WKRQIMUINCKFRV-RKVPGOIHSA-N 1 2 366.465 2.953 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc([C@H](C)OCC(C)C)no2)C1 ZINC001214305475 1041368096 /nfs/dbraw/zinc/36/80/96/1041368096.db2.gz DVZYPHFMJCQRLC-OWCLPIDISA-N 1 2 364.490 2.706 20 30 FFEDLO COc1c(F)c(F)ccc1C[N@@H+]1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001276723944 1041813743 /nfs/dbraw/zinc/81/37/43/1041813743.db2.gz CGMRIPQVTGDVRP-IBGZPJMESA-N 1 2 363.408 2.844 20 30 FFEDLO COc1c(F)c(F)ccc1C[N@H+]1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001276723944 1041813749 /nfs/dbraw/zinc/81/37/49/1041813749.db2.gz CGMRIPQVTGDVRP-IBGZPJMESA-N 1 2 363.408 2.844 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001262977544 1042004316 /nfs/dbraw/zinc/00/43/16/1042004316.db2.gz IOWMVGPSXNTZIJ-HDICACEKSA-N 1 2 354.502 2.793 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@H](CF)C1 ZINC001263343008 1042251400 /nfs/dbraw/zinc/25/14/00/1042251400.db2.gz LTSLFSHKLBMTTJ-ZACQAIPSSA-N 1 2 363.481 2.576 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@H](CF)C1 ZINC001263343008 1042251403 /nfs/dbraw/zinc/25/14/03/1042251403.db2.gz LTSLFSHKLBMTTJ-ZACQAIPSSA-N 1 2 363.481 2.576 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@H](C#N)C2)n1C[C@H]1CCCCO1 ZINC001263603765 1042396644 /nfs/dbraw/zinc/39/66/44/1042396644.db2.gz NSZMSCQZHQSBIZ-RCCFBDPRSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@H](C#N)C2)n1C[C@H]1CCCCO1 ZINC001263603765 1042396647 /nfs/dbraw/zinc/39/66/47/1042396647.db2.gz NSZMSCQZHQSBIZ-RCCFBDPRSA-N 1 2 372.517 2.744 20 30 FFEDLO C=CCN(CC=C)c1nnc([C@H]2CCCC[N@H+]2C)n1Cc1cc(C)on1 ZINC001263807356 1042489474 /nfs/dbraw/zinc/48/94/74/1042489474.db2.gz YJWVKWSHGDLJAK-QGZVFWFLSA-N 1 2 356.474 2.958 20 30 FFEDLO C=CCN(CC=C)c1nnc([C@H]2CCCC[N@@H+]2C)n1Cc1cc(C)on1 ZINC001263807356 1042489476 /nfs/dbraw/zinc/48/94/76/1042489476.db2.gz YJWVKWSHGDLJAK-QGZVFWFLSA-N 1 2 356.474 2.958 20 30 FFEDLO CCc1cnc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)C#CC3CC3)C2)o1 ZINC001263884404 1042507729 /nfs/dbraw/zinc/50/77/29/1042507729.db2.gz OIVNOTAIKIRECQ-VQTJNVASSA-N 1 2 363.461 2.735 20 30 FFEDLO CCc1cnc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)C#CC3CC3)C2)o1 ZINC001263884404 1042507734 /nfs/dbraw/zinc/50/77/34/1042507734.db2.gz OIVNOTAIKIRECQ-VQTJNVASSA-N 1 2 363.461 2.735 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@@H+](Cc2csc(CCC)n2)[C@@H]1C ZINC001264137998 1042633042 /nfs/dbraw/zinc/63/30/42/1042633042.db2.gz HTNQXHMSEIALER-QIIPPGSGSA-N 1 2 351.516 2.502 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@H+](Cc2csc(CCC)n2)[C@@H]1C ZINC001264137998 1042633044 /nfs/dbraw/zinc/63/30/44/1042633044.db2.gz HTNQXHMSEIALER-QIIPPGSGSA-N 1 2 351.516 2.502 20 30 FFEDLO Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C#CC(C)(C)C)[C@H]2C)c1C ZINC001264140786 1042634160 /nfs/dbraw/zinc/63/41/60/1042634160.db2.gz SLNFHOUSVGEGGD-MJGOQNOKSA-N 1 2 369.509 2.870 20 30 FFEDLO Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C#CC(C)(C)C)[C@H]2C)c1C ZINC001264140786 1042634165 /nfs/dbraw/zinc/63/41/65/1042634165.db2.gz SLNFHOUSVGEGGD-MJGOQNOKSA-N 1 2 369.509 2.870 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001264363486 1042666784 /nfs/dbraw/zinc/66/67/84/1042666784.db2.gz IYVBCJOVKJCVLN-XHSDSOJGSA-N 1 2 360.420 2.538 20 30 FFEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001264363486 1042666786 /nfs/dbraw/zinc/66/67/86/1042666786.db2.gz IYVBCJOVKJCVLN-XHSDSOJGSA-N 1 2 360.420 2.538 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)CC[C@@H]1c1ccccc1 ZINC001264591365 1042729379 /nfs/dbraw/zinc/72/93/79/1042729379.db2.gz WTZBJXDHQWWFJQ-NHCUHLMSSA-N 1 2 364.493 2.698 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@@H]1c1ccccc1 ZINC001264591365 1042729381 /nfs/dbraw/zinc/72/93/81/1042729381.db2.gz WTZBJXDHQWWFJQ-NHCUHLMSSA-N 1 2 364.493 2.698 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(C)(C)CC)C1 ZINC001264592701 1042730334 /nfs/dbraw/zinc/73/03/34/1042730334.db2.gz PRQZHNKEJPJGSK-RTBURBONSA-N 1 2 371.525 2.699 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(C)(C)CC)C1 ZINC001264592701 1042730338 /nfs/dbraw/zinc/73/03/38/1042730338.db2.gz PRQZHNKEJPJGSK-RTBURBONSA-N 1 2 371.525 2.699 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)c2ccccc2)[C@@H]1C ZINC001264702689 1042786944 /nfs/dbraw/zinc/78/69/44/1042786944.db2.gz KCCIHTFPVOIFBL-XLIONFOSSA-N 1 2 369.509 2.997 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)c2ccccc2)[C@@H]1C ZINC001264702689 1042786948 /nfs/dbraw/zinc/78/69/48/1042786948.db2.gz KCCIHTFPVOIFBL-XLIONFOSSA-N 1 2 369.509 2.997 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3OCCN(Cc4ccc[nH]4)[C@H]3C2)c1Cl ZINC001279320590 1042999004 /nfs/dbraw/zinc/99/90/04/1042999004.db2.gz UUFIHGGRMLUYQK-ROUUACIJSA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3OCCN(Cc4ccc[nH]4)[C@H]3C2)c1Cl ZINC001279320590 1042999007 /nfs/dbraw/zinc/99/90/07/1042999007.db2.gz UUFIHGGRMLUYQK-ROUUACIJSA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CCCC(F)(F)F)ccc1F ZINC001279373451 1043034817 /nfs/dbraw/zinc/03/48/17/1043034817.db2.gz UXUVOAHDHXBSMO-IYBDPMFKSA-N 1 2 371.378 2.925 20 30 FFEDLO N#Cc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CCCC(F)(F)F)ccc1F ZINC001279373451 1043034821 /nfs/dbraw/zinc/03/48/21/1043034821.db2.gz UXUVOAHDHXBSMO-IYBDPMFKSA-N 1 2 371.378 2.925 20 30 FFEDLO N#CCCCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccsc1Cl)C2 ZINC001278068890 1043057000 /nfs/dbraw/zinc/05/70/00/1043057000.db2.gz PZMPYYYYKMTXNA-KRWDZBQOSA-N 1 2 367.902 2.756 20 30 FFEDLO N#CCCCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccsc1Cl)C2 ZINC001278068890 1043057012 /nfs/dbraw/zinc/05/70/12/1043057012.db2.gz PZMPYYYYKMTXNA-KRWDZBQOSA-N 1 2 367.902 2.756 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3[nH]nc4cc(OC)ccc43)C2)C1=O ZINC001237387837 1043130962 /nfs/dbraw/zinc/13/09/62/1043130962.db2.gz KFGJJRWTKNLJEQ-HXUWFJFHSA-N 1 2 354.454 2.572 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+](Cc3[nH]nc4cc(OC)ccc43)C2)C1=O ZINC001237387837 1043130967 /nfs/dbraw/zinc/13/09/67/1043130967.db2.gz KFGJJRWTKNLJEQ-HXUWFJFHSA-N 1 2 354.454 2.572 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)Cc2ncn(CC3CC3)c21 ZINC001237461835 1043180092 /nfs/dbraw/zinc/18/00/92/1043180092.db2.gz FCKFMBYAPNXZAC-KRWDZBQOSA-N 1 2 351.454 2.696 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)Cc2ncn(CC3CC3)c21 ZINC001237461835 1043180099 /nfs/dbraw/zinc/18/00/99/1043180099.db2.gz FCKFMBYAPNXZAC-KRWDZBQOSA-N 1 2 351.454 2.696 20 30 FFEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237611298 1043270124 /nfs/dbraw/zinc/27/01/24/1043270124.db2.gz PMMORXNNNWSLJB-HIFRSBDPSA-N 1 2 355.442 2.693 20 30 FFEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237611298 1043270132 /nfs/dbraw/zinc/27/01/32/1043270132.db2.gz PMMORXNNNWSLJB-HIFRSBDPSA-N 1 2 355.442 2.693 20 30 FFEDLO C#CCOc1ccc(C[NH+]2CC3(CCN3C(=O)Cc3ccsc3)C2)cc1 ZINC001279595860 1043313498 /nfs/dbraw/zinc/31/34/98/1043313498.db2.gz PGKZLXPCXIMSPF-UHFFFAOYSA-N 1 2 366.486 2.790 20 30 FFEDLO COc1cc(Cl)ccc1CN1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001279610496 1043337293 /nfs/dbraw/zinc/33/72/93/1043337293.db2.gz WCDGPYFESAREPW-UHFFFAOYSA-N 1 2 370.884 2.877 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2cccnc2Cl)C3)cc1C#N ZINC001279668016 1043433207 /nfs/dbraw/zinc/43/32/07/1043433207.db2.gz SUGMZPYNLDLZET-QAPCUYQASA-N 1 2 355.873 2.651 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cccnc2Cl)C3)cc1C#N ZINC001279668016 1043433215 /nfs/dbraw/zinc/43/32/15/1043433215.db2.gz SUGMZPYNLDLZET-QAPCUYQASA-N 1 2 355.873 2.651 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)Nc4cccc(Cl)c4)C3)C2)cc1C#N ZINC001279811521 1043687012 /nfs/dbraw/zinc/68/70/12/1043687012.db2.gz SRIYSKQWNDCGED-UHFFFAOYSA-N 1 2 369.856 2.900 20 30 FFEDLO CCCCCCC[C@H](C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001279953650 1043976793 /nfs/dbraw/zinc/97/67/93/1043976793.db2.gz ANPLYESBYGGYNL-OKZBNKHCSA-N 1 2 366.550 2.682 20 30 FFEDLO CCCCCCC[C@H](C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001279953650 1043976804 /nfs/dbraw/zinc/97/68/04/1043976804.db2.gz ANPLYESBYGGYNL-OKZBNKHCSA-N 1 2 366.550 2.682 20 30 FFEDLO C=C(C)COc1ccccc1C[N@@H+]1CC[C@H]2C[C@]21C(=O)NCC(F)F ZINC001279996307 1044061974 /nfs/dbraw/zinc/06/19/74/1044061974.db2.gz HQTPEMYESJTNAJ-HNAYVOBHSA-N 1 2 350.409 2.987 20 30 FFEDLO C=C(C)COc1ccccc1C[N@H+]1CC[C@H]2C[C@]21C(=O)NCC(F)F ZINC001279996307 1044061981 /nfs/dbraw/zinc/06/19/81/1044061981.db2.gz HQTPEMYESJTNAJ-HNAYVOBHSA-N 1 2 350.409 2.987 20 30 FFEDLO Cc1noc(NC(=O)[C@]23C[C@H]2CC[N@@H+]3CCc2ccc(C#N)cc2)c1C ZINC001280078302 1044177011 /nfs/dbraw/zinc/17/70/11/1044177011.db2.gz IBRGMUISDXNOFJ-XLIONFOSSA-N 1 2 350.422 2.809 20 30 FFEDLO Cc1noc(NC(=O)[C@]23C[C@H]2CC[N@H+]3CCc2ccc(C#N)cc2)c1C ZINC001280078302 1044177017 /nfs/dbraw/zinc/17/70/17/1044177017.db2.gz IBRGMUISDXNOFJ-XLIONFOSSA-N 1 2 350.422 2.809 20 30 FFEDLO C#C[C@H]1CC[C@H](NC(=O)NC[C@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)CC1 ZINC001313167327 1044257090 /nfs/dbraw/zinc/25/70/90/1044257090.db2.gz IRKIQVVDPJSHTQ-JBACZVJFSA-N 1 2 369.509 2.687 20 30 FFEDLO C#C[C@H]1CC[C@H](NC(=O)NC[C@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)CC1 ZINC001313167327 1044257096 /nfs/dbraw/zinc/25/70/96/1044257096.db2.gz IRKIQVVDPJSHTQ-JBACZVJFSA-N 1 2 369.509 2.687 20 30 FFEDLO C#C[C@H]1CC[C@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)CC1 ZINC001313167325 1044257791 /nfs/dbraw/zinc/25/77/91/1044257791.db2.gz IRKIQVVDPJSHTQ-HMXCVIKNSA-N 1 2 369.509 2.687 20 30 FFEDLO C#C[C@H]1CC[C@H](NC(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)CC1 ZINC001313167325 1044257804 /nfs/dbraw/zinc/25/78/04/1044257804.db2.gz IRKIQVVDPJSHTQ-HMXCVIKNSA-N 1 2 369.509 2.687 20 30 FFEDLO N#CCCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC001280181164 1044362731 /nfs/dbraw/zinc/36/27/31/1044362731.db2.gz GLECCKDNYYQZCQ-IYBDPMFKSA-N 1 2 372.856 2.650 20 30 FFEDLO N#CCCC[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC001280181164 1044362746 /nfs/dbraw/zinc/36/27/46/1044362746.db2.gz GLECCKDNYYQZCQ-IYBDPMFKSA-N 1 2 372.856 2.650 20 30 FFEDLO C=CCOc1ccccc1C[N@H+]1CC[C@@H]2C[C@@]21C(=O)Nc1nccn1C ZINC001280274804 1044518517 /nfs/dbraw/zinc/51/85/17/1044518517.db2.gz XIOOEJDYVIPXNR-UZLBHIALSA-N 1 2 352.438 2.588 20 30 FFEDLO C=CCOc1ccccc1C[N@@H+]1CC[C@@H]2C[C@@]21C(=O)Nc1nccn1C ZINC001280274804 1044518532 /nfs/dbraw/zinc/51/85/32/1044518532.db2.gz XIOOEJDYVIPXNR-UZLBHIALSA-N 1 2 352.438 2.588 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3ccc(F)cc3CC#N)cn2)CC1 ZINC001241565070 1044549887 /nfs/dbraw/zinc/54/98/87/1044549887.db2.gz BBJATPMIHNZXEL-UHFFFAOYSA-N 1 2 353.445 2.613 20 30 FFEDLO C#CCN(CC#C)c1nnc(C(C)(C)C)n1CCCNc1cccc[nH+]1 ZINC001539232552 1070592583 /nfs/dbraw/zinc/59/25/83/1070592583.db2.gz HWVWZKNKDFAERR-UHFFFAOYSA-N 1 2 350.470 2.546 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001280742090 1044728177 /nfs/dbraw/zinc/72/81/77/1044728177.db2.gz QADJRXQBDAUMFA-BRWVUGGUSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001280742090 1044728196 /nfs/dbraw/zinc/72/81/96/1044728196.db2.gz QADJRXQBDAUMFA-BRWVUGGUSA-N 1 2 370.497 2.567 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001318569077 1044752272 /nfs/dbraw/zinc/75/22/72/1044752272.db2.gz OSNVRHLMWJCMDX-HXUWFJFHSA-N 1 2 363.461 2.765 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001318569077 1044752281 /nfs/dbraw/zinc/75/22/81/1044752281.db2.gz OSNVRHLMWJCMDX-HXUWFJFHSA-N 1 2 363.461 2.765 20 30 FFEDLO C#CCN(CC#C)c1nnc(CC(C)C)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001539268293 1070601568 /nfs/dbraw/zinc/60/15/68/1070601568.db2.gz MCHXOIOXDNKQFA-UHFFFAOYSA-N 1 2 372.476 2.783 20 30 FFEDLO N#CCc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC001318952087 1044954534 /nfs/dbraw/zinc/95/45/34/1044954534.db2.gz XFHJBUNRHIHCKI-GOSISDBHSA-N 1 2 373.478 2.851 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](c2ccccc2)CC1=O ZINC001319562881 1045194581 /nfs/dbraw/zinc/19/45/81/1045194581.db2.gz LYAYIBORVOOFNF-NRFANRHFSA-N 1 2 363.461 2.980 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](c2ccccc2)CC1=O ZINC001319562881 1045194583 /nfs/dbraw/zinc/19/45/83/1045194583.db2.gz LYAYIBORVOOFNF-NRFANRHFSA-N 1 2 363.461 2.980 20 30 FFEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@](CC)(c2ccc(Cl)cc2)C1=O ZINC001320139529 1045354480 /nfs/dbraw/zinc/35/44/80/1045354480.db2.gz FVESUXXOFMIGQF-LJQANCHMSA-N 1 2 359.857 2.800 20 30 FFEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@](CC)(c2ccc(Cl)cc2)C1=O ZINC001320139529 1045354484 /nfs/dbraw/zinc/35/44/84/1045354484.db2.gz FVESUXXOFMIGQF-LJQANCHMSA-N 1 2 359.857 2.800 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](CN2C[C@H](COc3cc(C)cc(C)c3)OC2=O)C1 ZINC001320309543 1045388128 /nfs/dbraw/zinc/38/81/28/1045388128.db2.gz ZRRXNIRIVASAFI-PKOBYXMFSA-N 1 2 360.454 2.737 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](CN2C[C@H](COc3cc(C)cc(C)c3)OC2=O)C1 ZINC001320309543 1045388132 /nfs/dbraw/zinc/38/81/32/1045388132.db2.gz ZRRXNIRIVASAFI-PKOBYXMFSA-N 1 2 360.454 2.737 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H]1CC ZINC001282256239 1045451706 /nfs/dbraw/zinc/45/17/06/1045451706.db2.gz AGMNLQLMMOUQEH-PNBKFKSVSA-N 1 2 358.486 2.611 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H]1CC ZINC001282256239 1045451712 /nfs/dbraw/zinc/45/17/12/1045451712.db2.gz AGMNLQLMMOUQEH-PNBKFKSVSA-N 1 2 358.486 2.611 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC001323730331 1045700982 /nfs/dbraw/zinc/70/09/82/1045700982.db2.gz TXOGZRHIELJAAZ-QGZVFWFLSA-N 1 2 357.479 2.850 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC001323730331 1045700989 /nfs/dbraw/zinc/70/09/89/1045700989.db2.gz TXOGZRHIELJAAZ-QGZVFWFLSA-N 1 2 357.479 2.850 20 30 FFEDLO C=CCCC(=O)N1CC[C@@]2(CNC(=O)c3cccc4[nH+]ccn43)CCC[C@@H]12 ZINC001282579795 1045921422 /nfs/dbraw/zinc/92/14/22/1045921422.db2.gz LSJIJIIGJPUKPB-DYESRHJHSA-N 1 2 366.465 2.802 20 30 FFEDLO COc1ccc([C@@H](CNc2cccc(CC#N)n2)[NH+]2CCOCC2)cc1 ZINC001322617264 1046152213 /nfs/dbraw/zinc/15/22/13/1046152213.db2.gz HDBODFANQLGSLC-LJQANCHMSA-N 1 2 352.438 2.642 20 30 FFEDLO CCOc1ccc(C[N@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC001322738990 1046204385 /nfs/dbraw/zinc/20/43/85/1046204385.db2.gz PCHIWUFLQAODAI-IBGZPJMESA-N 1 2 353.422 2.624 20 30 FFEDLO CCOc1ccc(C[N@@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC001322738990 1046204400 /nfs/dbraw/zinc/20/44/00/1046204400.db2.gz PCHIWUFLQAODAI-IBGZPJMESA-N 1 2 353.422 2.624 20 30 FFEDLO CCOc1ccc(N2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 ZINC001323178491 1046374267 /nfs/dbraw/zinc/37/42/67/1046374267.db2.gz WJEFIHXZIILHLX-LAUBAEHRSA-N 1 2 372.513 2.650 20 30 FFEDLO CC#CCCCC(=O)N(CCC)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001284814788 1046657546 /nfs/dbraw/zinc/65/75/46/1046657546.db2.gz UDDJPRJQDDZSMJ-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO CC#CCCCC(=O)N(CCC)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001284814788 1046657551 /nfs/dbraw/zinc/65/75/51/1046657551.db2.gz UDDJPRJQDDZSMJ-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001289308418 1047625714 /nfs/dbraw/zinc/62/57/14/1047625714.db2.gz LKRDZACLBVUQDL-AUUYWEPGSA-N 1 2 366.465 2.908 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001289405357 1047661782 /nfs/dbraw/zinc/66/17/82/1047661782.db2.gz XADBEMIQZFQPMI-SOIKWTOOSA-N 1 2 368.481 2.822 20 30 FFEDLO C=CCCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001290755767 1048376040 /nfs/dbraw/zinc/37/60/40/1048376040.db2.gz QVOOZOOZKKTOQD-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001290755767 1048376056 /nfs/dbraw/zinc/37/60/56/1048376056.db2.gz QVOOZOOZKKTOQD-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C3)CCCCC1 ZINC001291977785 1049032159 /nfs/dbraw/zinc/03/21/59/1049032159.db2.gz KDSOTBAOEALEJI-IKGGRYGDSA-N 1 2 370.497 2.727 20 30 FFEDLO C=CCC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001292145485 1049142737 /nfs/dbraw/zinc/14/27/37/1049142737.db2.gz VBVWAXZJYJJKET-ZACQAIPSSA-N 1 2 358.486 2.514 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001292193488 1049173564 /nfs/dbraw/zinc/17/35/64/1049173564.db2.gz KDGYJHRZSPTREK-JJXSEGSLSA-N 1 2 358.486 2.538 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001292279140 1049239040 /nfs/dbraw/zinc/23/90/40/1049239040.db2.gz LWGNYDIIIIXVIN-ZWOKBUDYSA-N 1 2 358.486 2.688 20 30 FFEDLO C=CCn1c(N(Cc2cccs2)C2CC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001339853614 1050271472 /nfs/dbraw/zinc/27/14/72/1050271472.db2.gz IOVWKEYMHWSLBR-KXBFYZLASA-N 1 2 373.526 2.606 20 30 FFEDLO C=CCn1c(N(Cc2cccs2)C2CC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339853614 1050271487 /nfs/dbraw/zinc/27/14/87/1050271487.db2.gz IOVWKEYMHWSLBR-KXBFYZLASA-N 1 2 373.526 2.606 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C)C(C)(C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001341839385 1050451312 /nfs/dbraw/zinc/45/13/12/1050451312.db2.gz NQSVVXYDKOBLMR-YRNRMSPPSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C)C(C)(C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001341839385 1050451317 /nfs/dbraw/zinc/45/13/17/1050451317.db2.gz NQSVVXYDKOBLMR-YRNRMSPPSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N(C)[C@H](C)c2ccccc2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001341841439 1050452644 /nfs/dbraw/zinc/45/26/44/1050452644.db2.gz ZCQBSEXHHREGCV-BLIXFSHQSA-N 1 2 369.513 2.963 20 30 FFEDLO C=C(C)Cn1c(N(C)[C@H](C)c2ccccc2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001341841439 1050452649 /nfs/dbraw/zinc/45/26/49/1050452649.db2.gz ZCQBSEXHHREGCV-BLIXFSHQSA-N 1 2 369.513 2.963 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001341868304 1050476451 /nfs/dbraw/zinc/47/64/51/1050476451.db2.gz MABKAOOJVUMDHL-OAHLLOKOSA-N 1 2 360.531 2.756 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001340194548 1050603118 /nfs/dbraw/zinc/60/31/18/1050603118.db2.gz BWJPLDSDHHISDB-FJIDUMEYSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001340194548 1050603122 /nfs/dbraw/zinc/60/31/22/1050603122.db2.gz BWJPLDSDHHISDB-FJIDUMEYSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H](CC)OCC)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001340361486 1050756219 /nfs/dbraw/zinc/75/62/19/1050756219.db2.gz ZBAWWYNDTWTXAV-QGZVFWFLSA-N 1 2 374.489 2.570 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N(Cc1ccc(F)cc1)C(C)C ZINC001340376574 1050769164 /nfs/dbraw/zinc/76/91/64/1050769164.db2.gz WFSZGACNKLJGTM-ZWKOTPCHSA-N 1 2 373.476 2.756 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N(Cc1ccc(F)cc1)C(C)C ZINC001340376574 1050769174 /nfs/dbraw/zinc/76/91/74/1050769174.db2.gz WFSZGACNKLJGTM-ZWKOTPCHSA-N 1 2 373.476 2.756 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(Cc1ccc(F)cc1)C(C)C ZINC001340376567 1050769277 /nfs/dbraw/zinc/76/92/77/1050769277.db2.gz WFSZGACNKLJGTM-MSOLQXFVSA-N 1 2 373.476 2.756 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(Cc1ccc(F)cc1)C(C)C ZINC001340376567 1050769284 /nfs/dbraw/zinc/76/92/84/1050769284.db2.gz WFSZGACNKLJGTM-MSOLQXFVSA-N 1 2 373.476 2.756 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC[C@H](c2ccccc2)[C@H]1C ZINC001340376026 1050770280 /nfs/dbraw/zinc/77/02/80/1050770280.db2.gz RNGYCOUGUAYECK-BVBHFADKSA-N 1 2 367.497 2.584 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC[C@H](c2ccccc2)[C@H]1C ZINC001340376026 1050770298 /nfs/dbraw/zinc/77/02/98/1050770298.db2.gz RNGYCOUGUAYECK-BVBHFADKSA-N 1 2 367.497 2.584 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)[C@@H]1CCCc2c1cnn2C ZINC001340389747 1050784568 /nfs/dbraw/zinc/78/45/68/1050784568.db2.gz JVUCNASTXJIUMC-AEFFLSMTSA-N 1 2 369.517 2.868 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)[C@@H]1CCCc2c1cnn2C ZINC001340389747 1050784576 /nfs/dbraw/zinc/78/45/76/1050784576.db2.gz JVUCNASTXJIUMC-AEFFLSMTSA-N 1 2 369.517 2.868 20 30 FFEDLO C=CCn1c(N(C)[C@@H](C)c2ccccc2C)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001340569890 1050957525 /nfs/dbraw/zinc/95/75/25/1050957525.db2.gz FLWQPLQIRXPTCX-XGHQBKJUSA-N 1 2 369.513 2.882 20 30 FFEDLO C=CCn1c(N(C)[C@@H](C)c2ccccc2C)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001340569890 1050957534 /nfs/dbraw/zinc/95/75/34/1050957534.db2.gz FLWQPLQIRXPTCX-XGHQBKJUSA-N 1 2 369.513 2.882 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1Cc2ccc(Cl)cc2C1 ZINC001342416134 1051011719 /nfs/dbraw/zinc/01/17/19/1051011719.db2.gz QHWNCVCIVNLFMH-UHFFFAOYSA-N 1 2 354.845 2.962 20 30 FFEDLO C=CCn1c(N2Cc3ccc(Cl)cc3C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340701531 1051066815 /nfs/dbraw/zinc/06/68/15/1051066815.db2.gz MWJYKUYOFXNZPB-VQIMIIECSA-N 1 2 373.888 2.549 20 30 FFEDLO C=CCn1c(N2Cc3ccc(Cl)cc3C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340701531 1051066817 /nfs/dbraw/zinc/06/68/17/1051066817.db2.gz MWJYKUYOFXNZPB-VQIMIIECSA-N 1 2 373.888 2.549 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc([C@@]2(C)C[C@@H](O)C[N@@H+]2C)n1CC ZINC001342562784 1051167399 /nfs/dbraw/zinc/16/73/99/1051167399.db2.gz KPRZDDYSMIZXDJ-OXQOHEQNSA-N 1 2 373.476 2.541 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc([C@@]2(C)C[C@@H](O)C[N@H+]2C)n1CC ZINC001342562784 1051167405 /nfs/dbraw/zinc/16/74/05/1051167405.db2.gz KPRZDDYSMIZXDJ-OXQOHEQNSA-N 1 2 373.476 2.541 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2sc(C)c(Br)c2OC)C1 ZINC001303558250 1051386488 /nfs/dbraw/zinc/38/64/88/1051386488.db2.gz JUOIXBGNKASPBV-LLVKDONJSA-N 1 2 371.300 2.655 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sc(C)c(Br)c2OC)C1 ZINC001303558250 1051386497 /nfs/dbraw/zinc/38/64/97/1051386497.db2.gz JUOIXBGNKASPBV-LLVKDONJSA-N 1 2 371.300 2.655 20 30 FFEDLO CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1cccc(C#N)c1 ZINC001341334391 1051689234 /nfs/dbraw/zinc/68/92/34/1051689234.db2.gz VCUPCFOHMYKGIK-SFHVURJKSA-N 1 2 368.485 2.588 20 30 FFEDLO CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1cccc(C#N)c1 ZINC001341334391 1051689237 /nfs/dbraw/zinc/68/92/37/1051689237.db2.gz VCUPCFOHMYKGIK-SFHVURJKSA-N 1 2 368.485 2.588 20 30 FFEDLO Cc1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001304789895 1051698050 /nfs/dbraw/zinc/69/80/50/1051698050.db2.gz YGTIHQVNJOHMLD-HNNXBMFYSA-N 1 2 353.474 2.759 20 30 FFEDLO CC[C@H](C)c1nnc(N(CCC#N)CC2CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001305406813 1051881459 /nfs/dbraw/zinc/88/14/59/1051881459.db2.gz LAIUEHLOXPZCAX-IRXDYDNUSA-N 1 2 374.533 2.642 20 30 FFEDLO COCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCCC[C@H](C)C1 ZINC001343217400 1052071885 /nfs/dbraw/zinc/07/18/85/1052071885.db2.gz OWLUSPISQJRJQJ-KRWDZBQOSA-N 1 2 374.533 2.644 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC2(CC2(F)F)CC1 ZINC001343314830 1052156359 /nfs/dbraw/zinc/15/63/59/1052156359.db2.gz HUHDCHRRFOAGMT-UHFFFAOYSA-N 1 2 362.428 2.804 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2ccccc2C)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001343405623 1052209625 /nfs/dbraw/zinc/20/96/25/1052209625.db2.gz SSRCEMMYTMPDPI-RXVVDRJESA-N 1 2 369.513 2.711 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2ccccc2C)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001343405623 1052209636 /nfs/dbraw/zinc/20/96/36/1052209636.db2.gz SSRCEMMYTMPDPI-RXVVDRJESA-N 1 2 369.513 2.711 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@@H](c2ccn(C)n2)C1 ZINC001343460011 1052246041 /nfs/dbraw/zinc/24/60/41/1052246041.db2.gz TUYQZWISBNJKDB-AEFFLSMTSA-N 1 2 369.517 2.738 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@@H](c2ccn(C)n2)C1 ZINC001343460011 1052246048 /nfs/dbraw/zinc/24/60/48/1052246048.db2.gz TUYQZWISBNJKDB-AEFFLSMTSA-N 1 2 369.517 2.738 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCCC[C@@H]1CC ZINC001343581838 1052319079 /nfs/dbraw/zinc/31/90/79/1052319079.db2.gz VUFVWMQGVCVONX-SFHVURJKSA-N 1 2 361.534 2.827 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[C@H]2C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001343639891 1052350092 /nfs/dbraw/zinc/35/00/92/1052350092.db2.gz UCRKZIKEDYQTEG-RHSMWYFYSA-N 1 2 356.474 2.596 20 30 FFEDLO CC(C)c1nocc1C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001345547009 1052502891 /nfs/dbraw/zinc/50/28/91/1052502891.db2.gz ISTDNZUKHDKKAA-UHFFFAOYSA-N 1 2 374.462 2.900 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC001345984414 1052695225 /nfs/dbraw/zinc/69/52/25/1052695225.db2.gz XBFKKRDLTCRVMB-KDOFPFPSSA-N 1 2 369.460 2.699 20 30 FFEDLO C=CCCC(=O)N1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001344326109 1052718547 /nfs/dbraw/zinc/71/85/47/1052718547.db2.gz FIABPHOWDPESSW-BRWVUGGUSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCCC(=O)N1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001344326109 1052718551 /nfs/dbraw/zinc/71/85/51/1052718551.db2.gz FIABPHOWDPESSW-BRWVUGGUSA-N 1 2 370.497 2.709 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(CC#N)CC1 ZINC001344823651 1052941702 /nfs/dbraw/zinc/94/17/02/1052941702.db2.gz XTXHBWYXYOWGQD-SFHVURJKSA-N 1 2 374.533 2.846 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(CC#N)CC1 ZINC001344823651 1052941711 /nfs/dbraw/zinc/94/17/11/1052941711.db2.gz XTXHBWYXYOWGQD-SFHVURJKSA-N 1 2 374.533 2.846 20 30 FFEDLO C=C1CCN(c2nnc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)n2CC2CC2)CC1 ZINC001346811183 1053333402 /nfs/dbraw/zinc/33/34/02/1053333402.db2.gz ZSGBNGAMSNIABB-ROUUACIJSA-N 1 2 357.502 2.770 20 30 FFEDLO C=C1CCN(c2nnc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)n2CC2CC2)CC1 ZINC001346811183 1053333413 /nfs/dbraw/zinc/33/34/13/1053333413.db2.gz ZSGBNGAMSNIABB-ROUUACIJSA-N 1 2 357.502 2.770 20 30 FFEDLO C=CCC[C@H]1CCCN1c1nnc(C[NH+]2CCCC2)n1C[C@H]1CCOC1 ZINC001346917994 1053440956 /nfs/dbraw/zinc/44/09/56/1053440956.db2.gz RHBDLQXMJDMQDM-MSOLQXFVSA-N 1 2 359.518 2.845 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](Cc2nc(N)nc(Nc3ccccc3CC)n2)C1 ZINC001337648478 1054919430 /nfs/dbraw/zinc/91/94/30/1054919430.db2.gz FBWOEBUTSFXKEI-OAHLLOKOSA-N 1 2 354.458 2.537 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](Cc2nc(N)nc(Nc3ccccc3CC)n2)C1 ZINC001337648478 1054919442 /nfs/dbraw/zinc/91/94/42/1054919442.db2.gz FBWOEBUTSFXKEI-OAHLLOKOSA-N 1 2 354.458 2.537 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001338691092 1055735762 /nfs/dbraw/zinc/73/57/62/1055735762.db2.gz PWJFDBSAAFSMBV-ABSDTBQOSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001338691092 1055735769 /nfs/dbraw/zinc/73/57/69/1055735769.db2.gz PWJFDBSAAFSMBV-ABSDTBQOSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC(C)(C#N)CC1 ZINC001338842078 1055863696 /nfs/dbraw/zinc/86/36/96/1055863696.db2.gz QKGDNEXHKVAZPA-DLBZAZTESA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC(C)(C#N)CC1 ZINC001338842078 1055863704 /nfs/dbraw/zinc/86/37/04/1055863704.db2.gz QKGDNEXHKVAZPA-DLBZAZTESA-N 1 2 370.501 2.520 20 30 FFEDLO CC(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC(C#N)CC1 ZINC001357817897 1056024023 /nfs/dbraw/zinc/02/40/23/1056024023.db2.gz BPLKKBYNSFAYEL-ZWKOTPCHSA-N 1 2 372.517 2.600 20 30 FFEDLO CC(C)Cn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC(C#N)CC1 ZINC001357817897 1056024032 /nfs/dbraw/zinc/02/40/32/1056024032.db2.gz BPLKKBYNSFAYEL-ZWKOTPCHSA-N 1 2 372.517 2.600 20 30 FFEDLO Cn1c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 ZINC001339035653 1056034615 /nfs/dbraw/zinc/03/46/15/1056034615.db2.gz MGKOBYWDWQNUGL-PXNSSMCTSA-N 1 2 368.460 2.984 20 30 FFEDLO Cn1c([C@@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 ZINC001339035653 1056034629 /nfs/dbraw/zinc/03/46/29/1056034629.db2.gz MGKOBYWDWQNUGL-PXNSSMCTSA-N 1 2 368.460 2.984 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1CCOC ZINC001358343016 1056264922 /nfs/dbraw/zinc/26/49/22/1056264922.db2.gz UACQVMVIZULBQA-HKUYNNGSSA-N 1 2 367.497 2.720 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1CCOC ZINC001358343016 1056264936 /nfs/dbraw/zinc/26/49/36/1056264936.db2.gz UACQVMVIZULBQA-HKUYNNGSSA-N 1 2 367.497 2.720 20 30 FFEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Nc2nn(C)cc2C#N)c(C)c1 ZINC000611007096 1056442904 /nfs/dbraw/zinc/44/29/04/1056442904.db2.gz DQJUHJVNFKFBDQ-QGZVFWFLSA-N 1 2 363.425 2.668 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCS[C@@H](CC)C1 ZINC001339486123 1056503196 /nfs/dbraw/zinc/50/31/96/1056503196.db2.gz QQTWMKNQRVYBNY-HOTGVXAUSA-N 1 2 365.547 2.578 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCS[C@@H](CC)C1 ZINC001339486123 1056503209 /nfs/dbraw/zinc/50/32/09/1056503209.db2.gz QQTWMKNQRVYBNY-HOTGVXAUSA-N 1 2 365.547 2.578 20 30 FFEDLO N#Cc1ccc(-n2ccc(NC(=O)[C@H]3CCc4[nH+]ccn4C3)n2)c(Cl)c1 ZINC000615787864 1056528970 /nfs/dbraw/zinc/52/89/70/1056528970.db2.gz CNGAQZRGPUCUJB-ZDUSSCGKSA-N 1 2 366.812 2.795 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000623986517 1056602322 /nfs/dbraw/zinc/60/23/22/1056602322.db2.gz YOMGJQYEZFSKAM-WBVHZDCISA-N 1 2 361.490 2.601 20 30 FFEDLO C=CCN(C)c1nnc(CC)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001359241450 1056861508 /nfs/dbraw/zinc/86/15/08/1056861508.db2.gz RFQRWLYVMCERQY-IBGZPJMESA-N 1 2 369.513 2.845 20 30 FFEDLO Cc1nscc1C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001518018885 1058239838 /nfs/dbraw/zinc/23/98/38/1058239838.db2.gz SWUJQPFNYFWICL-UHFFFAOYSA-N 1 2 362.476 2.554 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2oc3ccccc3c2Br)CC1 ZINC001444336245 1058297262 /nfs/dbraw/zinc/29/72/62/1058297262.db2.gz RXLVRMVTIVQZEG-UHFFFAOYSA-N 1 2 361.239 2.976 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2oc3ccccc3c2Br)CC1 ZINC001444336245 1058297276 /nfs/dbraw/zinc/29/72/76/1058297276.db2.gz RXLVRMVTIVQZEG-UHFFFAOYSA-N 1 2 361.239 2.976 20 30 FFEDLO C=CCC1(C(=O)NC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)C)CCC1 ZINC001500945534 1058610861 /nfs/dbraw/zinc/61/08/61/1058610861.db2.gz QSCBOOUHBGHPOZ-OAGGEKHMSA-N 1 2 358.486 2.517 20 30 FFEDLO C=CCC1(C(=O)NC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)C)CCC1 ZINC001500945534 1058610872 /nfs/dbraw/zinc/61/08/72/1058610872.db2.gz QSCBOOUHBGHPOZ-OAGGEKHMSA-N 1 2 358.486 2.517 20 30 FFEDLO C=CC[C@@H](CO)NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001448633895 1058800282 /nfs/dbraw/zinc/80/02/82/1058800282.db2.gz YDRFEEBLAVRCMI-HOTGVXAUSA-N 1 2 367.287 2.639 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001514398835 1058907571 /nfs/dbraw/zinc/90/75/71/1058907571.db2.gz XWTTTXIKBPNOQQ-GVDBMIGSSA-N 1 2 360.502 2.980 20 30 FFEDLO CN(c1nnc(C[NH+]2CCCC2)n1C[C@@H]1CCCCO1)[C@@H]1CCC[C@H]1C#N ZINC001519839361 1059120654 /nfs/dbraw/zinc/12/06/54/1059120654.db2.gz DIWPHFDGVQTXIU-OKZBNKHCSA-N 1 2 372.517 2.571 20 30 FFEDLO C=C(C)Cn1c(N2CCC(CC)(CC)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001515003862 1059212309 /nfs/dbraw/zinc/21/23/09/1059212309.db2.gz ODRUQVINTAPKCR-APWZRJJASA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC(CC)(CC)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001515003862 1059212330 /nfs/dbraw/zinc/21/23/30/1059212330.db2.gz ODRUQVINTAPKCR-APWZRJJASA-N 1 2 361.534 2.782 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001300682881 1059319420 /nfs/dbraw/zinc/31/94/20/1059319420.db2.gz KLEAXQONYLKZBG-CABCVRRESA-N 1 2 355.408 2.635 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CC[C@H](F)C2)CC1 ZINC001300692243 1059362783 /nfs/dbraw/zinc/36/27/83/1059362783.db2.gz APTSSWKTSCXAJE-HKUYNNGSSA-N 1 2 367.472 2.839 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2Cc2ccc(C)cc2F)CC1 ZINC001300698003 1059394112 /nfs/dbraw/zinc/39/41/12/1059394112.db2.gz MARNXGDPVCTFRL-UHFFFAOYSA-N 1 2 367.472 2.797 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)Cc1ccccc1SC ZINC001520289034 1059572651 /nfs/dbraw/zinc/57/26/51/1059572651.db2.gz IQBAYQJSLKRGHF-JKSUJKDBSA-N 1 2 373.526 2.560 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)Cc1ccccc1SC ZINC001520289034 1059572672 /nfs/dbraw/zinc/57/26/72/1059572672.db2.gz IQBAYQJSLKRGHF-JKSUJKDBSA-N 1 2 373.526 2.560 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)[C@@H](C)c1ccccc1C ZINC001520289037 1059572745 /nfs/dbraw/zinc/57/27/45/1059572745.db2.gz ISCSBKIDWQBWID-BQFCYCMXSA-N 1 2 355.486 2.707 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)[C@@H](C)c1ccccc1C ZINC001520289037 1059572764 /nfs/dbraw/zinc/57/27/64/1059572764.db2.gz ISCSBKIDWQBWID-BQFCYCMXSA-N 1 2 355.486 2.707 20 30 FFEDLO C=CCN(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001507986723 1059782415 /nfs/dbraw/zinc/78/24/15/1059782415.db2.gz GQXHPSLFVQMAAR-JKSUJKDBSA-N 1 2 356.474 2.834 20 30 FFEDLO C=CCN(c1nnc(C2CCCC2)n1C[C@H](C)[NH+]1CCOCC1)C1CC1 ZINC001507994724 1059787485 /nfs/dbraw/zinc/78/74/85/1059787485.db2.gz XNILXOLITWUTAW-INIZCTEOSA-N 1 2 359.518 2.811 20 30 FFEDLO C=CCN(CCOC)c1nnc(C2CC2)n1CCc1cn2ccccc2[nH+]1 ZINC001508040763 1059800625 /nfs/dbraw/zinc/80/06/25/1059800625.db2.gz AFVRLGYMKAUIOC-UHFFFAOYSA-N 1 2 366.469 2.685 20 30 FFEDLO C=CC1CCN(c2nnc(C[NH+]3CCCC3)n2C[C@@H]2CCCCO2)CC1 ZINC001526379180 1061103385 /nfs/dbraw/zinc/10/33/85/1061103385.db2.gz UWZFQZPXGGSIKB-SFHVURJKSA-N 1 2 359.518 2.845 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](CO)c3cc(F)ccc3F)C2=O)cc1 ZINC001460946497 1061160021 /nfs/dbraw/zinc/16/00/21/1061160021.db2.gz HLXUTMFACZUHTR-OALUTQOASA-N 1 2 371.387 2.655 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCc2[nH+]ccn2C)cc1 ZINC001527489161 1061514233 /nfs/dbraw/zinc/51/42/33/1061514233.db2.gz UCUYSIUWJHCRSM-UHFFFAOYSA-N 1 2 352.438 2.806 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]2C)C1 ZINC000939987899 1061528431 /nfs/dbraw/zinc/52/84/31/1061528431.db2.gz AMJGYWVZXXUFQJ-RHSMWYFYSA-N 1 2 366.465 2.576 20 30 FFEDLO COc1ncc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1C#N ZINC001477077415 1061569458 /nfs/dbraw/zinc/56/94/58/1061569458.db2.gz AEEBPJKLYSKTIR-UHFFFAOYSA-N 1 2 362.393 2.528 20 30 FFEDLO C#CC[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1)C(=O)OC ZINC001462332310 1061585518 /nfs/dbraw/zinc/58/55/18/1061585518.db2.gz IPWGTFPZCOFNGL-LSDHHAIUSA-N 1 2 352.475 2.567 20 30 FFEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)Oc2ccc(C#N)c(Cl)c2)C1 ZINC001463556412 1062158019 /nfs/dbraw/zinc/15/80/19/1062158019.db2.gz VXIFUXXMQCEUGF-UHFFFAOYSA-N 1 2 362.838 2.967 20 30 FFEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)Oc2ccc(C#N)c(Cl)c2)C1 ZINC001463556412 1062158025 /nfs/dbraw/zinc/15/80/25/1062158025.db2.gz VXIFUXXMQCEUGF-UHFFFAOYSA-N 1 2 362.838 2.967 20 30 FFEDLO Cc1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001492781143 1062206906 /nfs/dbraw/zinc/20/69/06/1062206906.db2.gz NFCVBQZANOKDKO-UHFFFAOYSA-N 1 2 361.453 2.604 20 30 FFEDLO Cc1onc(CC(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c1C#N ZINC001529293423 1062253626 /nfs/dbraw/zinc/25/36/26/1062253626.db2.gz GJBJWVSYDKYJLT-AWEZNQCLSA-N 1 2 355.442 2.755 20 30 FFEDLO COCCn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)[C@H](C)c1cccc(C#N)c1 ZINC001523617936 1062547879 /nfs/dbraw/zinc/54/78/79/1062547879.db2.gz ZBCSOKCMEVQAPL-CRAIPNDOSA-N 1 2 368.485 2.760 20 30 FFEDLO COCCn1c([C@H]2CCC[N@H+]2C)nnc1N(C)[C@H](C)c1cccc(C#N)c1 ZINC001523617936 1062547893 /nfs/dbraw/zinc/54/78/93/1062547893.db2.gz ZBCSOKCMEVQAPL-CRAIPNDOSA-N 1 2 368.485 2.760 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCOc2ccc(O)cc2C1 ZINC001523796248 1062628678 /nfs/dbraw/zinc/62/86/78/1062628678.db2.gz IXTQKZMRJRGUDQ-UHFFFAOYSA-N 1 2 369.469 2.555 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(CCC)no3)CC[C@@H]2C1 ZINC001479671567 1062782930 /nfs/dbraw/zinc/78/29/30/1062782930.db2.gz QBWZZRHPRGMRPQ-CVEARBPZSA-N 1 2 360.502 2.905 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(CCC)no3)CC[C@@H]2C1 ZINC001479671567 1062782954 /nfs/dbraw/zinc/78/29/54/1062782954.db2.gz QBWZZRHPRGMRPQ-CVEARBPZSA-N 1 2 360.502 2.905 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)s3)[C@@H]2C)CCOCC1 ZINC001479726484 1062953227 /nfs/dbraw/zinc/95/32/27/1062953227.db2.gz AGFDGSKYRWATRN-CVEARBPZSA-N 1 2 363.527 2.903 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)s3)[C@@H]2C)CCOCC1 ZINC001479726484 1062953251 /nfs/dbraw/zinc/95/32/51/1062953251.db2.gz AGFDGSKYRWATRN-CVEARBPZSA-N 1 2 363.527 2.903 20 30 FFEDLO C=CCOCCNC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001533399276 1063291375 /nfs/dbraw/zinc/29/13/75/1063291375.db2.gz HTGFOFXPEPDSHP-INIZCTEOSA-N 1 2 367.287 2.905 20 30 FFEDLO CCc1ccc(C#CC(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC001440486213 1063306718 /nfs/dbraw/zinc/30/67/18/1063306718.db2.gz YCYHFEHVZFIPRZ-UHFFFAOYSA-N 1 2 362.473 2.824 20 30 FFEDLO C=CCC(CC=C)C(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001495385936 1063488493 /nfs/dbraw/zinc/48/84/93/1063488493.db2.gz MXKZBTRYHTXIBU-KZNAEPCWSA-N 1 2 370.497 2.731 20 30 FFEDLO C=CCC(CC=C)C(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001495385936 1063488502 /nfs/dbraw/zinc/48/85/02/1063488502.db2.gz MXKZBTRYHTXIBU-KZNAEPCWSA-N 1 2 370.497 2.731 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CCC([C@H]2CCC[N@@H+]2CCc2cnn[nH]2)CC1 ZINC001575073823 1078103463 /nfs/dbraw/zinc/10/34/63/1078103463.db2.gz RRKXNFLLTOBQOJ-QUCCMNQESA-N 1 2 359.518 2.653 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CCC([C@H]2CCC[N@H+]2CCc2cnn[nH]2)CC1 ZINC001575073823 1078103464 /nfs/dbraw/zinc/10/34/64/1078103464.db2.gz RRKXNFLLTOBQOJ-QUCCMNQESA-N 1 2 359.518 2.653 20 30 FFEDLO C=CCC[C@@H](C)[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)c2cc(F)c[nH]2)CC1 ZINC001575088019 1078105355 /nfs/dbraw/zinc/10/53/55/1078105355.db2.gz SOOUMTIGIYSLKZ-CQSZACIVSA-N 1 2 374.464 2.733 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2Cc3ccccc3O[C@H](C)C2)c1 ZINC001473513606 1065278503 /nfs/dbraw/zinc/27/85/03/1065278503.db2.gz BPRGEEHRUMNBKY-OAHLLOKOSA-N 1 2 363.417 2.599 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2Cc3ccccc3O[C@H](C)C2)c1 ZINC001473513606 1065278517 /nfs/dbraw/zinc/27/85/17/1065278517.db2.gz BPRGEEHRUMNBKY-OAHLLOKOSA-N 1 2 363.417 2.599 20 30 FFEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2Cc3ccccc3NC(=O)C2)cc1Cl ZINC001473587724 1065290328 /nfs/dbraw/zinc/29/03/28/1065290328.db2.gz NAHCHPHYLMITNP-UHFFFAOYSA-N 1 2 368.824 2.995 20 30 FFEDLO N#Cc1ccc(NC(=O)CC[N@H+]2Cc3ccccc3NC(=O)C2)cc1Cl ZINC001473587724 1065290335 /nfs/dbraw/zinc/29/03/35/1065290335.db2.gz NAHCHPHYLMITNP-UHFFFAOYSA-N 1 2 368.824 2.995 20 30 FFEDLO C=CCC(C)(C)C(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001580249225 1078773973 /nfs/dbraw/zinc/77/39/73/1078773973.db2.gz RTCARGREHKVLOR-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CCC(C)(C)C(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001580249225 1078773975 /nfs/dbraw/zinc/77/39/75/1078773975.db2.gz RTCARGREHKVLOR-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO C[Si](C)(C)C#CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001584145734 1079312321 /nfs/dbraw/zinc/31/23/21/1079312321.db2.gz SXNKXFWBEDSHDV-UHFFFAOYSA-N 1 2 356.458 2.781 20 30 FFEDLO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]CC2(C#N)CCOCC2)s1 ZINC001560617435 1076284233 /nfs/dbraw/zinc/28/42/33/1076284233.db2.gz USJBKOAZMPPGPF-UHFFFAOYSA-N 1 2 352.460 2.900 20 30 FFEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC001566371913 1076952297 /nfs/dbraw/zinc/95/22/97/1076952297.db2.gz DAAJPZIROZXFHJ-INIZCTEOSA-N 1 2 364.490 2.981 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001566700296 1076975782 /nfs/dbraw/zinc/97/57/82/1076975782.db2.gz WOZDCEQVOGJKDR-MSOLQXFVSA-N 1 2 361.486 2.777 20 30 FFEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001567332505 1077016478 /nfs/dbraw/zinc/01/64/78/1077016478.db2.gz MEEASDQYNHAWDD-MRXNPFEDSA-N 1 2 363.425 2.870 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@@H]1CC ZINC001573270441 1077649092 /nfs/dbraw/zinc/64/90/92/1077649092.db2.gz GVLDYQXMCMPMCI-DLBZAZTESA-N 1 2 360.502 2.761 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2CC)CCCC1 ZINC001573276710 1077655770 /nfs/dbraw/zinc/65/57/70/1077655770.db2.gz SRTRFEMIQBZJJA-DLBZAZTESA-N 1 2 358.486 2.584 20 30 FFEDLO C=CC(C)(C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3[nH+]ccn31)C2 ZINC001574301071 1077952071 /nfs/dbraw/zinc/95/20/71/1077952071.db2.gz HJOQVBPFEIDFRH-PMPSAXMXSA-N 1 2 366.465 2.798 20 30 FFEDLO C=CC1(CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C3)CCCCC1 ZINC001574343668 1077963396 /nfs/dbraw/zinc/96/33/96/1077963396.db2.gz HLVUMVCKUVCTKF-IKGGRYGDSA-N 1 2 370.497 2.727 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001574461071 1077994264 /nfs/dbraw/zinc/99/42/64/1077994264.db2.gz VFVCWXVDRQJNLM-WTTBNOFXSA-N 1 2 370.497 2.680 20 30 FFEDLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 ZINC001587855710 1079878930 /nfs/dbraw/zinc/87/89/30/1079878930.db2.gz NZDRBMCVTAQEKK-FQEVSTJZSA-N 1 2 362.429 2.906 20 30 FFEDLO CC[N@H+]1CC[C@H]1C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 ZINC001587855710 1079878936 /nfs/dbraw/zinc/87/89/36/1079878936.db2.gz NZDRBMCVTAQEKK-FQEVSTJZSA-N 1 2 362.429 2.906 20 30 FFEDLO C=CC[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588627605 1080127148 /nfs/dbraw/zinc/12/71/48/1080127148.db2.gz BHCFBOUIDPAUFO-INIZCTEOSA-N 1 2 370.501 2.748 20 30 FFEDLO C=CC[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588627605 1080127152 /nfs/dbraw/zinc/12/71/52/1080127152.db2.gz BHCFBOUIDPAUFO-INIZCTEOSA-N 1 2 370.501 2.748 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2Cc2nc(C)c(C)s2)CC1 ZINC001588742122 1080177595 /nfs/dbraw/zinc/17/75/95/1080177595.db2.gz NSBWBTCZDSMQOL-CQSZACIVSA-N 1 2 372.542 2.668 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CC2(CCOC)CCC2)CC1 ZINC001588805744 1080203933 /nfs/dbraw/zinc/20/39/33/1080203933.db2.gz AZZFDHCAJWQYDI-UHFFFAOYSA-N 1 2 371.529 2.508 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000030283920 249354128 /nfs/dbraw/zinc/35/41/28/249354128.db2.gz VDXKUUOYBRUTBX-GFCCVEGCSA-N 1 2 374.872 2.529 20 30 FFEDLO CCN(C(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1)C1CCCCC1 ZINC000052442416 249498758 /nfs/dbraw/zinc/49/87/58/249498758.db2.gz UCIBCFJQSANHSG-KRWDZBQOSA-N 1 2 369.513 2.645 20 30 FFEDLO C[C@H](c1ccc(C#N)cc1)N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000118397610 250385250 /nfs/dbraw/zinc/38/52/50/250385250.db2.gz XYOPGIJGSMTCOA-SJORKVTESA-N 1 2 354.498 2.684 20 30 FFEDLO C[C@@H](c1ccc(C#N)cc1)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000118392375 250386205 /nfs/dbraw/zinc/38/62/05/250386205.db2.gz RJNZBXWZKANECF-MSOLQXFVSA-N 1 2 354.498 2.638 20 30 FFEDLO Cc1sc(NC(=O)C[NH2+][C@H](CO)c2c(F)cccc2F)c(C#N)c1C ZINC000273106695 252218942 /nfs/dbraw/zinc/21/89/42/252218942.db2.gz NAOZZQQFZRQBSG-CQSZACIVSA-N 1 2 365.405 2.777 20 30 FFEDLO CCOc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)ccc1[N+](=O)[O-] ZINC000276982708 256149314 /nfs/dbraw/zinc/14/93/14/256149314.db2.gz YMYGPCOPBNJJRV-UHFFFAOYSA-N 1 2 367.409 2.582 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278957767 256366364 /nfs/dbraw/zinc/36/63/64/256366364.db2.gz ZQSYKKGPKZTAEI-GDBMZVCRSA-N 1 2 368.412 2.963 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278957767 256366366 /nfs/dbraw/zinc/36/63/66/256366366.db2.gz ZQSYKKGPKZTAEI-GDBMZVCRSA-N 1 2 368.412 2.963 20 30 FFEDLO COCCOC[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287752669 257109224 /nfs/dbraw/zinc/10/92/24/257109224.db2.gz LSGVKNZBGKBBDN-CYBMUJFWSA-N 1 2 353.260 2.806 20 30 FFEDLO COCCOC[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287752669 257109225 /nfs/dbraw/zinc/10/92/25/257109225.db2.gz LSGVKNZBGKBBDN-CYBMUJFWSA-N 1 2 353.260 2.806 20 30 FFEDLO CC(=O)N(C)C1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000287395947 257087157 /nfs/dbraw/zinc/08/71/57/257087157.db2.gz ROMMPJNHCABZFM-UHFFFAOYSA-N 1 2 350.260 2.763 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3ccncc3)C2)cc1 ZINC000289345355 257275678 /nfs/dbraw/zinc/27/56/78/257275678.db2.gz MKMZQYURNFAVSX-GOSISDBHSA-N 1 2 355.463 2.607 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3ccncc3)C2)cc1 ZINC000289345355 257275679 /nfs/dbraw/zinc/27/56/79/257275679.db2.gz MKMZQYURNFAVSX-GOSISDBHSA-N 1 2 355.463 2.607 20 30 FFEDLO Cc1nsc(N2CCN(Cc3cn4cc(C)ccc4[nH+]3)CC2)c1C#N ZINC000289495263 257284249 /nfs/dbraw/zinc/28/42/49/257284249.db2.gz PKDSHUVQDZLEGA-UHFFFAOYSA-N 1 2 352.467 2.602 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000301070768 258022960 /nfs/dbraw/zinc/02/29/60/258022960.db2.gz GTWRNVNCSAQARH-CVEARBPZSA-N 1 2 358.461 2.514 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNc3nc4ccccn4c3C#N)c[nH+]2)C[C@@H](C)O1 ZINC000302095919 258087692 /nfs/dbraw/zinc/08/76/92/258087692.db2.gz NZGBBWMODGCEPD-HUUCEWRRSA-N 1 2 362.437 2.827 20 30 FFEDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc(Br)cc3C#N)CC2)S1 ZINC000302186104 258094020 /nfs/dbraw/zinc/09/40/20/258094020.db2.gz PJMJXNUFYCWIHX-LLVKDONJSA-N 1 2 365.300 2.934 20 30 FFEDLO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000301868297 258071453 /nfs/dbraw/zinc/07/14/53/258071453.db2.gz VWRGTGWIWVFIHJ-OAHLLOKOSA-N 1 2 360.421 2.886 20 30 FFEDLO Cc1cc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)c(C#N)cc1N(C)C ZINC000332495178 258232457 /nfs/dbraw/zinc/23/24/57/258232457.db2.gz WRDQJXKSYSAULR-UHFFFAOYSA-N 1 2 367.453 2.875 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc(F)cc3C#N)c[nH+]2)CCO1 ZINC000097472987 132229106 /nfs/dbraw/zinc/22/91/06/132229106.db2.gz YKZXLHPDSHKDEX-CYBMUJFWSA-N 1 2 369.400 2.639 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158167544 508666229 /nfs/dbraw/zinc/66/62/29/508666229.db2.gz FQTWYLYBJPSCHK-UHFFFAOYSA-N 1 2 358.269 2.550 20 30 FFEDLO N#CC1(NC(=O)CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCCCC1 ZINC000032832838 506301972 /nfs/dbraw/zinc/30/19/72/506301972.db2.gz SVACBVQLUHTBDC-UHFFFAOYSA-N 1 2 374.916 2.800 20 30 FFEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@H](C)O2 ZINC000366783583 512185641 /nfs/dbraw/zinc/18/56/41/512185641.db2.gz CIHFXCAFAPIGQV-LVCYWYKZSA-N 1 2 371.481 2.592 20 30 FFEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@H](C)O2 ZINC000366783583 512185647 /nfs/dbraw/zinc/18/56/47/512185647.db2.gz CIHFXCAFAPIGQV-LVCYWYKZSA-N 1 2 371.481 2.592 20 30 FFEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1=O ZINC000055119237 506681961 /nfs/dbraw/zinc/68/19/61/506681961.db2.gz ZKYHFLFYXFFGDV-KRWDZBQOSA-N 1 2 355.344 2.600 20 30 FFEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1=O ZINC000055119237 506681967 /nfs/dbraw/zinc/68/19/67/506681967.db2.gz ZKYHFLFYXFFGDV-KRWDZBQOSA-N 1 2 355.344 2.600 20 30 FFEDLO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c1C ZINC000042978990 506684383 /nfs/dbraw/zinc/68/43/83/506684383.db2.gz BVCMBSQEDPJMTD-NQIIRXRSSA-N 1 2 356.514 2.868 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000067227764 506796670 /nfs/dbraw/zinc/79/66/70/506796670.db2.gz UEONKMCJQKXVRE-LAUBAEHRSA-N 1 2 370.424 2.705 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000067227764 506796676 /nfs/dbraw/zinc/79/66/76/506796676.db2.gz UEONKMCJQKXVRE-LAUBAEHRSA-N 1 2 370.424 2.705 20 30 FFEDLO CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000045250320 506939832 /nfs/dbraw/zinc/93/98/32/506939832.db2.gz HDCFTOKHQPHMGW-UHFFFAOYSA-N 1 2 361.361 2.924 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@H+](Cc2ccco2)Cc2cccnc2)cc1 ZINC000045870581 507036910 /nfs/dbraw/zinc/03/69/10/507036910.db2.gz JZUJUHGTFXRGEY-LJQANCHMSA-N 1 2 363.417 2.988 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+](Cc2ccco2)Cc2cccnc2)cc1 ZINC000045870581 507036919 /nfs/dbraw/zinc/03/69/19/507036919.db2.gz JZUJUHGTFXRGEY-LJQANCHMSA-N 1 2 363.417 2.988 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000023009316 507324914 /nfs/dbraw/zinc/32/49/14/507324914.db2.gz LZCXINZQXABIFZ-FQEVSTJZSA-N 1 2 374.916 2.656 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000023009316 507324917 /nfs/dbraw/zinc/32/49/17/507324917.db2.gz LZCXINZQXABIFZ-FQEVSTJZSA-N 1 2 374.916 2.656 20 30 FFEDLO COc1ccc(F)cc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023691843 507365056 /nfs/dbraw/zinc/36/50/56/507365056.db2.gz INMVRQCTKZJRQA-UHFFFAOYSA-N 1 2 353.397 2.664 20 30 FFEDLO Cc1cc(N2CCN(c3nnc(C)c(C)c3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000024055178 507388667 /nfs/dbraw/zinc/38/86/67/507388667.db2.gz JZZGIAWFGDFUKS-UHFFFAOYSA-N 1 2 351.458 2.514 20 30 FFEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000026199010 507566084 /nfs/dbraw/zinc/56/60/84/507566084.db2.gz XEXFFNUHCBERNW-RHSMWYFYSA-N 1 2 368.399 2.672 20 30 FFEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000026199010 507566090 /nfs/dbraw/zinc/56/60/90/507566090.db2.gz XEXFFNUHCBERNW-RHSMWYFYSA-N 1 2 368.399 2.672 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c(C)n1-c1ccc(C#N)cc1 ZINC000371352480 512349108 /nfs/dbraw/zinc/34/91/08/512349108.db2.gz XORGQZIKPMKQKX-INIZCTEOSA-N 1 2 359.433 2.976 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c(C)n1-c1ccc(C#N)cc1 ZINC000371352480 512349110 /nfs/dbraw/zinc/34/91/10/512349110.db2.gz XORGQZIKPMKQKX-INIZCTEOSA-N 1 2 359.433 2.976 20 30 FFEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000027051703 507629461 /nfs/dbraw/zinc/62/94/61/507629461.db2.gz DQHXSHIXWVVAPZ-KRWDZBQOSA-N 1 2 353.809 2.976 20 30 FFEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000027051703 507629469 /nfs/dbraw/zinc/62/94/69/507629469.db2.gz DQHXSHIXWVVAPZ-KRWDZBQOSA-N 1 2 353.809 2.976 20 30 FFEDLO N#Cc1ccsc1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000052050230 507796269 /nfs/dbraw/zinc/79/62/69/507796269.db2.gz MTJUAHPCZIVTFI-UHFFFAOYSA-N 1 2 361.224 2.960 20 30 FFEDLO COc1ccc(C[NH2+]Cc2nnc3n2CCCCC3)cc1OCCCC#N ZINC000064613663 507804663 /nfs/dbraw/zinc/80/46/63/507804663.db2.gz NSRUIBFCFXDRHB-UHFFFAOYSA-N 1 2 369.469 2.985 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)C[C@H]1COc2ccccc2O1 ZINC000031173225 507817858 /nfs/dbraw/zinc/81/78/58/507817858.db2.gz BSKSOAPRJGRVOB-KRWDZBQOSA-N 1 2 351.406 2.659 20 30 FFEDLO CC[N@H+](CC(=O)Nc1cccc(C#N)c1)C[C@H]1COc2ccccc2O1 ZINC000031173225 507817859 /nfs/dbraw/zinc/81/78/59/507817859.db2.gz BSKSOAPRJGRVOB-KRWDZBQOSA-N 1 2 351.406 2.659 20 30 FFEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)NCc2ccccc2Cl)cs1 ZINC000072920143 507873418 /nfs/dbraw/zinc/87/34/18/507873418.db2.gz AYJLLFLDGIQRNX-JTQLQIEISA-N 1 2 366.874 2.641 20 30 FFEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)Nc2ccc(F)cc2F)cs1 ZINC000072920118 507873498 /nfs/dbraw/zinc/87/34/98/507873498.db2.gz GDJOBHAJFVEJIQ-MRVPVSSYSA-N 1 2 354.382 2.588 20 30 FFEDLO COc1cc2nc(NCc3cc(C#N)ccc3F)[nH+]c(N)c2cc1OC ZINC000078474513 507874639 /nfs/dbraw/zinc/87/46/39/507874639.db2.gz MZCUNKCVTHNTAN-UHFFFAOYSA-N 1 2 353.357 2.852 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c1C ZINC000089925674 507884907 /nfs/dbraw/zinc/88/49/07/507884907.db2.gz VQPGVXSRDNARQH-HXUWFJFHSA-N 1 2 370.497 2.653 20 30 FFEDLO C#CCOc1cccc(NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)c1 ZINC000108517128 507900491 /nfs/dbraw/zinc/90/04/91/507900491.db2.gz LPDMFKMGGPGPGK-UHFFFAOYSA-N 1 2 370.478 2.895 20 30 FFEDLO C#CCOc1cccc(NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)c1 ZINC000108517128 507900493 /nfs/dbraw/zinc/90/04/93/507900493.db2.gz LPDMFKMGGPGPGK-UHFFFAOYSA-N 1 2 370.478 2.895 20 30 FFEDLO N#CCSc1cccc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000079505976 507969807 /nfs/dbraw/zinc/96/98/07/507969807.db2.gz ZHNSCRNTZXLAPO-UHFFFAOYSA-N 1 2 352.463 2.655 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1Cl ZINC000109757940 507984944 /nfs/dbraw/zinc/98/49/44/507984944.db2.gz IFFXHBRDWJYAMI-JSGCOSHPSA-N 1 2 361.751 2.538 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1Cl ZINC000109757940 507984947 /nfs/dbraw/zinc/98/49/47/507984947.db2.gz IFFXHBRDWJYAMI-JSGCOSHPSA-N 1 2 361.751 2.538 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)cc1Cl ZINC000091896758 508022991 /nfs/dbraw/zinc/02/29/91/508022991.db2.gz KYEKZJSVPYNTHB-HNNXBMFYSA-N 1 2 372.918 2.807 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)cc1Cl ZINC000091896758 508022994 /nfs/dbraw/zinc/02/29/94/508022994.db2.gz KYEKZJSVPYNTHB-HNNXBMFYSA-N 1 2 372.918 2.807 20 30 FFEDLO COc1cccc(Cl)c1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000091936575 508026313 /nfs/dbraw/zinc/02/63/13/508026313.db2.gz ZMVHTASPQYFSCW-CYBMUJFWSA-N 1 2 357.845 2.721 20 30 FFEDLO COc1cccc(Cl)c1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000091936575 508026314 /nfs/dbraw/zinc/02/63/14/508026314.db2.gz ZMVHTASPQYFSCW-CYBMUJFWSA-N 1 2 357.845 2.721 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)o1 ZINC000092539033 508080709 /nfs/dbraw/zinc/08/07/09/508080709.db2.gz UJJLAKQLZJKONE-UHFFFAOYSA-N 1 2 355.829 2.770 20 30 FFEDLO C=CC1CCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)CC1 ZINC000111834746 508127892 /nfs/dbraw/zinc/12/78/92/508127892.db2.gz NEBDMFCYXMDNQW-HXUWFJFHSA-N 1 2 357.498 2.976 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000081069144 508131918 /nfs/dbraw/zinc/13/19/18/508131918.db2.gz NHOBZQKXUFHIOW-RHSMWYFYSA-N 1 2 369.387 2.629 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000081069144 508131921 /nfs/dbraw/zinc/13/19/21/508131921.db2.gz NHOBZQKXUFHIOW-RHSMWYFYSA-N 1 2 369.387 2.629 20 30 FFEDLO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000093282950 508135052 /nfs/dbraw/zinc/13/50/52/508135052.db2.gz ACKLQVVPDULMJD-CQSZACIVSA-N 1 2 361.442 2.618 20 30 FFEDLO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000093282950 508135053 /nfs/dbraw/zinc/13/50/53/508135053.db2.gz ACKLQVVPDULMJD-CQSZACIVSA-N 1 2 361.442 2.618 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@H](C)[C@H](O)C2)c1C#N ZINC000093332806 508139938 /nfs/dbraw/zinc/13/99/38/508139938.db2.gz AAMZUKOLXWOMHT-SCLBCKFNSA-N 1 2 358.486 2.733 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](O)C2)c1C#N ZINC000093332806 508139942 /nfs/dbraw/zinc/13/99/42/508139942.db2.gz AAMZUKOLXWOMHT-SCLBCKFNSA-N 1 2 358.486 2.733 20 30 FFEDLO N#CCCN(CCOc1ccccc1C(F)(F)F)CC[NH+]1CCOCC1 ZINC000081158248 508142356 /nfs/dbraw/zinc/14/23/56/508142356.db2.gz HUNKJSXMWCLZKM-UHFFFAOYSA-N 1 2 371.403 2.632 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCC(O)(C(=O)OCC)CC2)cc1Cl ZINC000093595724 508150097 /nfs/dbraw/zinc/15/00/97/508150097.db2.gz YCPMVGIRYBDHBV-UHFFFAOYSA-N 1 2 353.846 2.795 20 30 FFEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000076094822 508157933 /nfs/dbraw/zinc/15/79/33/508157933.db2.gz KAZYMSVEFLQJMJ-UHFFFAOYSA-N 1 2 351.332 2.659 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112360071 508179215 /nfs/dbraw/zinc/17/92/15/508179215.db2.gz KMNOHCLTPSRMDZ-MAUKXSAKSA-N 1 2 361.461 2.676 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112360071 508179217 /nfs/dbraw/zinc/17/92/17/508179217.db2.gz KMNOHCLTPSRMDZ-MAUKXSAKSA-N 1 2 361.461 2.676 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081514681 508184735 /nfs/dbraw/zinc/18/47/35/508184735.db2.gz PXPMSONBWVZPDX-UHFFFAOYSA-N 1 2 365.481 2.731 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081514681 508184737 /nfs/dbraw/zinc/18/47/37/508184737.db2.gz PXPMSONBWVZPDX-UHFFFAOYSA-N 1 2 365.481 2.731 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000112658145 508206545 /nfs/dbraw/zinc/20/65/45/508206545.db2.gz CMWIDETXBPEDPL-DLBZAZTESA-N 1 2 363.465 2.659 20 30 FFEDLO N#CCCn1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000081759470 508209425 /nfs/dbraw/zinc/20/94/25/508209425.db2.gz MGVMHIDESUDLAQ-QGZVFWFLSA-N 1 2 355.417 2.929 20 30 FFEDLO N#CCCn1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000081759470 508209429 /nfs/dbraw/zinc/20/94/29/508209429.db2.gz MGVMHIDESUDLAQ-QGZVFWFLSA-N 1 2 355.417 2.929 20 30 FFEDLO CCCCCNC(=O)C1CC[NH+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000083188331 508240015 /nfs/dbraw/zinc/24/00/15/508240015.db2.gz QDIRPGWAISGYGQ-LJQANCHMSA-N 1 2 371.481 2.791 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101558376 508246106 /nfs/dbraw/zinc/24/61/06/508246106.db2.gz ZTGBECONZGELSU-INIZCTEOSA-N 1 2 358.461 2.632 20 30 FFEDLO C=CC1CCN(C(=O)[C@@H]2CCC(=O)N(CCC)[C@H]2c2c[nH+]cn2C)CC1 ZINC000373539927 512386239 /nfs/dbraw/zinc/38/62/39/512386239.db2.gz ZPGOUFHHAQXYPD-VQIMIIECSA-N 1 2 358.486 2.534 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000076968171 508268955 /nfs/dbraw/zinc/26/89/55/508268955.db2.gz UUCHDJGDULWHAE-SFHVURJKSA-N 1 2 357.498 2.566 20 30 FFEDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCOc1ccc(C#N)cc1OC ZINC000077318033 508299985 /nfs/dbraw/zinc/29/99/85/508299985.db2.gz LGWMSXDGKCHYQD-LJQANCHMSA-N 1 2 354.406 2.792 20 30 FFEDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCOc1ccc(C#N)cc1OC ZINC000077318033 508299988 /nfs/dbraw/zinc/29/99/88/508299988.db2.gz LGWMSXDGKCHYQD-LJQANCHMSA-N 1 2 354.406 2.792 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000115557205 508409051 /nfs/dbraw/zinc/40/90/51/508409051.db2.gz OOTGNAYDAQUDOJ-IBGZPJMESA-N 1 2 353.397 2.767 20 30 FFEDLO CCOc1cc2c(cc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)O[C@H](C)C2 ZINC000115595610 508415579 /nfs/dbraw/zinc/41/55/79/508415579.db2.gz DFTJTQCAJVRDKI-XCLFUZPHSA-N 1 2 365.433 2.597 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c(C#N)c1C ZINC000156907289 508495125 /nfs/dbraw/zinc/49/51/25/508495125.db2.gz MNLZSFLYMBRGGY-ZBFHGGJFSA-N 1 2 357.410 2.888 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c(C#N)c1C ZINC000156907289 508495130 /nfs/dbraw/zinc/49/51/30/508495130.db2.gz MNLZSFLYMBRGGY-ZBFHGGJFSA-N 1 2 357.410 2.888 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)cc1F ZINC000157569662 508582041 /nfs/dbraw/zinc/58/20/41/508582041.db2.gz ZBCDXCOXKUKQHW-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157664672 508594105 /nfs/dbraw/zinc/59/41/05/508594105.db2.gz CJLJUAIGUBEMJJ-RDJZCZTQSA-N 1 2 359.445 2.729 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157664672 508594106 /nfs/dbraw/zinc/59/41/06/508594106.db2.gz CJLJUAIGUBEMJJ-RDJZCZTQSA-N 1 2 359.445 2.729 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000122970138 508615867 /nfs/dbraw/zinc/61/58/67/508615867.db2.gz XLLZEDJKDSZJRJ-UHFFFAOYSA-N 1 2 362.412 2.600 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000135637315 508635670 /nfs/dbraw/zinc/63/56/70/508635670.db2.gz QMHBTAAOGVEJST-GOSISDBHSA-N 1 2 371.481 2.512 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000135637315 508635672 /nfs/dbraw/zinc/63/56/72/508635672.db2.gz QMHBTAAOGVEJST-GOSISDBHSA-N 1 2 371.481 2.512 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158167544 508666227 /nfs/dbraw/zinc/66/62/27/508666227.db2.gz FQTWYLYBJPSCHK-UHFFFAOYSA-N 1 2 358.269 2.550 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158172036 508666277 /nfs/dbraw/zinc/66/62/77/508666277.db2.gz VMVPPNJVONEBNB-QGZVFWFLSA-N 1 2 372.296 2.842 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158172036 508666282 /nfs/dbraw/zinc/66/62/82/508666282.db2.gz VMVPPNJVONEBNB-QGZVFWFLSA-N 1 2 372.296 2.842 20 30 FFEDLO CC(C)([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1nccs1 ZINC000118848620 508684440 /nfs/dbraw/zinc/68/44/40/508684440.db2.gz FDGNWLSWHXAXTP-UHFFFAOYSA-N 1 2 366.450 2.664 20 30 FFEDLO C=C[C@@H](CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000129137569 508689203 /nfs/dbraw/zinc/68/92/03/508689203.db2.gz BIDWKENDURVNRP-KRWDZBQOSA-N 1 2 354.454 2.514 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c(F)c1 ZINC000136411403 508693176 /nfs/dbraw/zinc/69/31/76/508693176.db2.gz GPBMUAJUIQJBJH-FQEVSTJZSA-N 1 2 367.424 2.995 20 30 FFEDLO N#Cc1ccc(OC2C[NH+](C[C@H](O)COc3ccccc3Cl)C2)cc1 ZINC000158585525 508725262 /nfs/dbraw/zinc/72/52/62/508725262.db2.gz ATTUMLJJHRIFRA-HNNXBMFYSA-N 1 2 358.825 2.715 20 30 FFEDLO C=C[C@@H](CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000158855005 508760655 /nfs/dbraw/zinc/76/06/55/508760655.db2.gz PGPGWBXUKHRLII-FXAWDEMLSA-N 1 2 360.523 2.670 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)s1 ZINC000119301794 508768086 /nfs/dbraw/zinc/76/80/86/508768086.db2.gz ACFURSCSLMJFFJ-KRWDZBQOSA-N 1 2 355.463 2.917 20 30 FFEDLO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccsc1 ZINC000139187001 508785144 /nfs/dbraw/zinc/78/51/44/508785144.db2.gz NSHABADKMMRCCM-UHFFFAOYSA-N 1 2 351.435 2.876 20 30 FFEDLO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccsc1 ZINC000139187001 508785146 /nfs/dbraw/zinc/78/51/46/508785146.db2.gz NSHABADKMMRCCM-UHFFFAOYSA-N 1 2 351.435 2.876 20 30 FFEDLO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1sccc1C#N ZINC000119561383 508818666 /nfs/dbraw/zinc/81/86/66/508818666.db2.gz LYRIQYXESCDDHF-OAHLLOKOSA-N 1 2 354.479 2.560 20 30 FFEDLO C=CCNC(=O)[C@H](C)[N@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000159446599 508842931 /nfs/dbraw/zinc/84/29/31/508842931.db2.gz FCPWMKATYOAFIN-NSHDSACASA-N 1 2 358.269 2.945 20 30 FFEDLO C=CCNC(=O)[C@H](C)[N@@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000159446599 508842935 /nfs/dbraw/zinc/84/29/35/508842935.db2.gz FCPWMKATYOAFIN-NSHDSACASA-N 1 2 358.269 2.945 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[N@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000159446746 508843230 /nfs/dbraw/zinc/84/32/30/508843230.db2.gz FCPWMKATYOAFIN-LLVKDONJSA-N 1 2 358.269 2.945 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[N@@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000159446746 508843233 /nfs/dbraw/zinc/84/32/33/508843233.db2.gz FCPWMKATYOAFIN-LLVKDONJSA-N 1 2 358.269 2.945 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1F ZINC000150948867 508928705 /nfs/dbraw/zinc/92/87/05/508928705.db2.gz JTWFGMJKWCKBTG-UHFFFAOYSA-N 1 2 371.387 2.945 20 30 FFEDLO CCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)c(C#N)c1CC ZINC000125448298 508984650 /nfs/dbraw/zinc/98/46/50/508984650.db2.gz USTCFXGNGSPKQH-UHFFFAOYSA-N 1 2 356.499 2.560 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1coc(-c2ccccc2)n1 ZINC000155566649 509028508 /nfs/dbraw/zinc/02/85/08/509028508.db2.gz QLETYNOGBJAOJO-OAHLLOKOSA-N 1 2 360.421 2.714 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1coc(-c2ccccc2)n1 ZINC000155566649 509028510 /nfs/dbraw/zinc/02/85/10/509028510.db2.gz QLETYNOGBJAOJO-OAHLLOKOSA-N 1 2 360.421 2.714 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cnc(C3OCCO3)s2)CC1 ZINC000367316884 512441415 /nfs/dbraw/zinc/44/14/15/512441415.db2.gz FQPDQARWKABLQV-UHFFFAOYSA-N 1 2 356.451 2.641 20 30 FFEDLO Cc1oc(NC(=O)C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)c(C#N)c1C ZINC000185469283 509191724 /nfs/dbraw/zinc/19/17/24/509191724.db2.gz FORHQUWEDCSXQF-CYBMUJFWSA-N 1 2 364.409 2.638 20 30 FFEDLO CC[N@H+](CCCNC(=O)C(=O)Nc1ccc(F)cc1C#N)c1ccccc1 ZINC000175943669 509229574 /nfs/dbraw/zinc/22/95/74/509229574.db2.gz QYLFZYABJLJABQ-UHFFFAOYSA-N 1 2 368.412 2.669 20 30 FFEDLO CC[N@@H+](CCCNC(=O)C(=O)Nc1ccc(F)cc1C#N)c1ccccc1 ZINC000175943669 509229580 /nfs/dbraw/zinc/22/95/80/509229580.db2.gz QYLFZYABJLJABQ-UHFFFAOYSA-N 1 2 368.412 2.669 20 30 FFEDLO O=S(=O)(NC1CC[NH+](CC#Cc2ccccc2)CC1)c1cccs1 ZINC000191884958 509229928 /nfs/dbraw/zinc/22/99/28/509229928.db2.gz MAKFTFBPUCIWBX-UHFFFAOYSA-N 1 2 360.504 2.543 20 30 FFEDLO N#Cc1ccc(NC(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000216430288 509262319 /nfs/dbraw/zinc/26/23/19/509262319.db2.gz LIXSJLRSMUOSSJ-UHFFFAOYSA-N 1 2 354.841 2.972 20 30 FFEDLO COc1ccc(CCC(=O)N2CC[NH+](CC#Cc3ccccc3)CC2)cc1 ZINC000191964793 509266943 /nfs/dbraw/zinc/26/69/43/509266943.db2.gz AQPMRAKAEGUOSH-UHFFFAOYSA-N 1 2 362.473 2.824 20 30 FFEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2nccc(C(C)C)n2)CC1 ZINC000185839519 509380904 /nfs/dbraw/zinc/38/09/04/509380904.db2.gz PFOBAHJGKIZJDG-UHFFFAOYSA-N 1 2 351.454 2.802 20 30 FFEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248594323 509381275 /nfs/dbraw/zinc/38/12/75/509381275.db2.gz SHEXTEHQBZZSKQ-XOKHGSTOSA-N 1 2 369.868 2.851 20 30 FFEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248594323 509381280 /nfs/dbraw/zinc/38/12/80/509381280.db2.gz SHEXTEHQBZZSKQ-XOKHGSTOSA-N 1 2 369.868 2.851 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCN(c3ccccc3)CC2)cc1 ZINC000176214114 509384051 /nfs/dbraw/zinc/38/40/51/509384051.db2.gz XWXIZVXOWMCXPV-UHFFFAOYSA-N 1 2 369.490 2.544 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCN(c3ccccc3)CC2)cc1 ZINC000176214114 509384055 /nfs/dbraw/zinc/38/40/55/509384055.db2.gz XWXIZVXOWMCXPV-UHFFFAOYSA-N 1 2 369.490 2.544 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1ccc(F)cc1C#N ZINC000192245036 509425321 /nfs/dbraw/zinc/42/53/21/509425321.db2.gz DYNPBFOVKKDUHD-UHFFFAOYSA-N 1 2 364.446 2.557 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000189141308 509432134 /nfs/dbraw/zinc/43/21/34/509432134.db2.gz UBBHKYBCZYLUTI-CQSZACIVSA-N 1 2 352.394 2.821 20 30 FFEDLO Cc1nc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)ccc1C#N ZINC000264314932 509452748 /nfs/dbraw/zinc/45/27/48/509452748.db2.gz ZMHAUCCNKUVFRZ-HNNXBMFYSA-N 1 2 350.422 2.907 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCN(c4cccs4)CC3)C2=O)cc1 ZINC000182844231 509456519 /nfs/dbraw/zinc/45/65/19/509456519.db2.gz XPQPKVLBDLXRFG-GOSISDBHSA-N 1 2 366.490 2.937 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]([NH+]3CCN(c4cccs4)CC3)C2=O)cc1 ZINC000182844246 509456946 /nfs/dbraw/zinc/45/69/46/509456946.db2.gz XPQPKVLBDLXRFG-SFHVURJKSA-N 1 2 366.490 2.937 20 30 FFEDLO CCOc1ccccc1N1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000179515102 509490259 /nfs/dbraw/zinc/49/02/59/509490259.db2.gz IKPJRUUYFSGTTD-UHFFFAOYSA-N 1 2 361.449 2.927 20 30 FFEDLO N#Cc1c(F)cccc1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000186208432 509577398 /nfs/dbraw/zinc/57/73/98/509577398.db2.gz NXIURHFQDCQTNZ-UHFFFAOYSA-N 1 2 353.397 2.534 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000249082981 509595875 /nfs/dbraw/zinc/59/58/75/509595875.db2.gz SSIHEUWGYRORNI-DOTOQJQBSA-N 1 2 374.395 2.642 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000249082981 509595882 /nfs/dbraw/zinc/59/58/82/509595882.db2.gz SSIHEUWGYRORNI-DOTOQJQBSA-N 1 2 374.395 2.642 20 30 FFEDLO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1nc(C2CC2)no1 ZINC000179801104 509626463 /nfs/dbraw/zinc/62/64/63/509626463.db2.gz UWNPZOGNPJEMPX-INIZCTEOSA-N 1 2 374.466 2.579 20 30 FFEDLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000183168526 509638025 /nfs/dbraw/zinc/63/80/25/509638025.db2.gz MZTCYBWNXMAEQQ-HOTGVXAUSA-N 1 2 372.494 2.743 20 30 FFEDLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000183168526 509638033 /nfs/dbraw/zinc/63/80/33/509638033.db2.gz MZTCYBWNXMAEQQ-HOTGVXAUSA-N 1 2 372.494 2.743 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c1C#N ZINC000249553609 509709940 /nfs/dbraw/zinc/70/99/40/509709940.db2.gz IYIZZHFUIDWDKG-LIRRHRJNSA-N 1 2 366.465 2.607 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@H](O)[C@@H](C)C2)c1C#N ZINC000249553609 509709944 /nfs/dbraw/zinc/70/99/44/509709944.db2.gz IYIZZHFUIDWDKG-LIRRHRJNSA-N 1 2 366.465 2.607 20 30 FFEDLO CC(C)OCCN1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180185279 509799782 /nfs/dbraw/zinc/79/97/82/509799782.db2.gz ASSOQYCIMYMQOD-UHFFFAOYSA-N 1 2 367.497 2.501 20 30 FFEDLO N#Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)ccn1 ZINC000193224403 509825072 /nfs/dbraw/zinc/82/50/72/509825072.db2.gz FVMYNOXTDBELFS-CQSZACIVSA-N 1 2 356.376 2.626 20 30 FFEDLO N#Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)ccn1 ZINC000193224403 509825076 /nfs/dbraw/zinc/82/50/76/509825076.db2.gz FVMYNOXTDBELFS-CQSZACIVSA-N 1 2 356.376 2.626 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000252187520 509834334 /nfs/dbraw/zinc/83/43/34/509834334.db2.gz RBVJTXKIFNUFOI-JTDSTZFVSA-N 1 2 372.488 2.903 20 30 FFEDLO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C#N)c(O)c3)CC2)cc1 ZINC000190044664 509904766 /nfs/dbraw/zinc/90/47/66/509904766.db2.gz LYEDVLAOFANYPT-UHFFFAOYSA-N 1 2 365.433 2.621 20 30 FFEDLO N#CCCN(CC#Cc1ccc(C(F)(F)F)cc1)CC[NH+]1CCOCC1 ZINC000177298227 509984385 /nfs/dbraw/zinc/98/43/85/509984385.db2.gz OSTPPHRPNTYTOW-UHFFFAOYSA-N 1 2 365.399 2.605 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH+]2CCC(C)(O)CC2)c1C#N ZINC000177325825 509996848 /nfs/dbraw/zinc/99/68/48/509996848.db2.gz SXJGHWHJUNDZDP-UHFFFAOYSA-N 1 2 366.465 2.751 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000183967736 510061131 /nfs/dbraw/zinc/06/11/31/510061131.db2.gz YJOZUOAAHFDEMW-HNNXBMFYSA-N 1 2 363.417 2.806 20 30 FFEDLO COc1cc(C(N)=[NH+]OCc2nc(C(C)C)no2)cc(Cl)c1OC ZINC000265471216 510072041 /nfs/dbraw/zinc/07/20/41/510072041.db2.gz CVRJIJNCDXLXFW-UHFFFAOYSA-N 1 2 354.794 2.701 20 30 FFEDLO COc1cccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1OC(F)F ZINC000193853802 510101422 /nfs/dbraw/zinc/10/14/22/510101422.db2.gz IPRUTWZTLWCKHE-UHFFFAOYSA-N 1 2 374.391 2.885 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000245764358 510134594 /nfs/dbraw/zinc/13/45/94/510134594.db2.gz QRMALJMVOLMRBS-OLMNPRSZSA-N 1 2 366.889 2.809 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000245764358 510134596 /nfs/dbraw/zinc/13/45/96/510134596.db2.gz QRMALJMVOLMRBS-OLMNPRSZSA-N 1 2 366.889 2.809 20 30 FFEDLO Cc1nc(C[C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)no1 ZINC000171404931 510137099 /nfs/dbraw/zinc/13/70/99/510137099.db2.gz QWGIRWIXGRXHRT-SWLSCSKDSA-N 1 2 371.441 2.741 20 30 FFEDLO Cc1nc(C[C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)no1 ZINC000171404931 510137105 /nfs/dbraw/zinc/13/71/05/510137105.db2.gz QWGIRWIXGRXHRT-SWLSCSKDSA-N 1 2 371.441 2.741 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000174574010 510187109 /nfs/dbraw/zinc/18/71/09/510187109.db2.gz WLAHHANVSAMBHM-HXUWFJFHSA-N 1 2 366.421 2.856 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(F)cc(Br)c1 ZINC000177815122 510268901 /nfs/dbraw/zinc/26/89/01/510268901.db2.gz HQLQGOASIODIBV-UHFFFAOYSA-N 1 2 370.266 2.636 20 30 FFEDLO CS(=O)(=O)N(Cc1cn2cc(Cl)ccc2[nH+]1)c1ccc(C#N)cc1 ZINC000194266482 510286174 /nfs/dbraw/zinc/28/61/74/510286174.db2.gz YOBOCMBHZUAMAG-UHFFFAOYSA-N 1 2 360.826 2.826 20 30 FFEDLO N#Cc1cc(F)ccc1NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000177899688 510316740 /nfs/dbraw/zinc/31/67/40/510316740.db2.gz KLXKCQLFTSABAU-UHFFFAOYSA-N 1 2 359.430 2.894 20 30 FFEDLO N#Cc1cc(F)ccc1NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000177899688 510316743 /nfs/dbraw/zinc/31/67/43/510316743.db2.gz KLXKCQLFTSABAU-UHFFFAOYSA-N 1 2 359.430 2.894 20 30 FFEDLO N#CCCN(CCOc1ccc(C(F)(F)F)cc1)CC[NH+]1CCOCC1 ZINC000174830847 510332545 /nfs/dbraw/zinc/33/25/45/510332545.db2.gz DDSWOEISLINQNM-UHFFFAOYSA-N 1 2 371.403 2.632 20 30 FFEDLO N#Cc1cccnc1-n1cc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cn1 ZINC000184623276 510423786 /nfs/dbraw/zinc/42/37/86/510423786.db2.gz KZWJXNCDTVMGKG-HNNXBMFYSA-N 1 2 362.397 2.621 20 30 FFEDLO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000269549312 510457576 /nfs/dbraw/zinc/45/75/76/510457576.db2.gz XXRFXVVLSWYWDH-CJNGLKHVSA-N 1 2 374.485 2.723 20 30 FFEDLO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000269549312 510457584 /nfs/dbraw/zinc/45/75/84/510457584.db2.gz XXRFXVVLSWYWDH-CJNGLKHVSA-N 1 2 374.485 2.723 20 30 FFEDLO CC[C@H](C)NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000178154882 510461867 /nfs/dbraw/zinc/46/18/67/510461867.db2.gz UUPWQKZIPZPTGQ-GJZGRUSLSA-N 1 2 370.453 2.601 20 30 FFEDLO Cc1cc(NC(=O)C(=O)N2CCC(C#N)CC2)ccc1Oc1cc[nH+]cc1 ZINC000194851763 510556842 /nfs/dbraw/zinc/55/68/42/510556842.db2.gz GVCFTOQBWUAYHD-UHFFFAOYSA-N 1 2 364.405 2.883 20 30 FFEDLO C[C@H]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000185171515 510726357 /nfs/dbraw/zinc/72/63/57/510726357.db2.gz XUVRRYHWSXIACC-WFASDCNBSA-N 1 2 364.858 2.680 20 30 FFEDLO C[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@H]1n1cc[nH+]c1 ZINC000247699922 510868743 /nfs/dbraw/zinc/86/87/43/510868743.db2.gz UMCVHVIYKXZGMN-SWLSCSKDSA-N 1 2 364.858 2.680 20 30 FFEDLO CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000329932859 510880844 /nfs/dbraw/zinc/88/08/44/510880844.db2.gz IXWMGFFNTMUEHH-VSZNYVQBSA-N 1 2 365.497 2.805 20 30 FFEDLO CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000329932859 510880850 /nfs/dbraw/zinc/88/08/50/510880850.db2.gz IXWMGFFNTMUEHH-VSZNYVQBSA-N 1 2 365.497 2.805 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2cc3nccnc3cc2F)CCO1 ZINC000329980513 510892790 /nfs/dbraw/zinc/89/27/90/510892790.db2.gz LNEMTMOKFOJIMJ-GTNSWQLSSA-N 1 2 355.373 2.727 20 30 FFEDLO C[C@H]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000330003204 510898692 /nfs/dbraw/zinc/89/86/92/510898692.db2.gz BOFDNDGOTHUREL-HOTGVXAUSA-N 1 2 350.488 2.570 20 30 FFEDLO CCN1CCN(C(=O)N=c2[nH]c3ccccc3s2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330046145 510906713 /nfs/dbraw/zinc/90/67/13/510906713.db2.gz GUGNVSOTGLVEOP-ZDUSSCGKSA-N 1 2 356.455 2.944 20 30 FFEDLO CC(C)[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1nncn1C ZINC000285458011 510914405 /nfs/dbraw/zinc/91/44/05/510914405.db2.gz TWTOXZIFZWBGHG-QGZVFWFLSA-N 1 2 374.876 2.702 20 30 FFEDLO CCc1nc2n(n1)C[C@H](NC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC)CC2 ZINC000330276143 510954914 /nfs/dbraw/zinc/95/49/14/510954914.db2.gz MLYXCPLDVDLVEM-HUUCEWRRSA-N 1 2 371.489 2.513 20 30 FFEDLO Cc1cccc2c1C[N@H+](CC(=O)[C@H](C#N)c1nc3ccccc3c(=O)[nH]1)CC2 ZINC000277166533 510955480 /nfs/dbraw/zinc/95/54/80/510955480.db2.gz KLHZHGYLZSMBGE-KRWDZBQOSA-N 1 2 372.428 2.878 20 30 FFEDLO Cc1cccc2c1C[N@@H+](CC(=O)[C@H](C#N)c1nc3ccccc3c(=O)[nH]1)CC2 ZINC000277166533 510955487 /nfs/dbraw/zinc/95/54/87/510955487.db2.gz KLHZHGYLZSMBGE-KRWDZBQOSA-N 1 2 372.428 2.878 20 30 FFEDLO CC(C)(C)c1nnc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)[nH]1 ZINC000330328318 510964652 /nfs/dbraw/zinc/96/46/52/510964652.db2.gz LPIMSPQPNVSPPY-UHFFFAOYSA-N 1 2 362.522 2.903 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](CC)CC(=O)Nc1ccccc1OC ZINC000270739266 510969133 /nfs/dbraw/zinc/96/91/33/510969133.db2.gz XELOEFDBEJTAOI-MRXNPFEDSA-N 1 2 359.470 2.545 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccccc1OC ZINC000270739266 510969137 /nfs/dbraw/zinc/96/91/37/510969137.db2.gz XELOEFDBEJTAOI-MRXNPFEDSA-N 1 2 359.470 2.545 20 30 FFEDLO CCN1CCN(C(=O)Nc2cc(F)c(F)cc2F)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330349312 510971060 /nfs/dbraw/zinc/97/10/60/510971060.db2.gz JSRGJKFUZZBMNK-CQSZACIVSA-N 1 2 353.348 2.751 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)OC(C)(C)O3)CCO1 ZINC000330355112 510972481 /nfs/dbraw/zinc/97/24/81/510972481.db2.gz QFXNNSKABKJRBV-XJKSGUPXSA-N 1 2 372.425 2.983 20 30 FFEDLO Cn1nccc1C1=CC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000285601846 510973341 /nfs/dbraw/zinc/97/33/41/510973341.db2.gz MBFFUSPVBBPNQZ-UHFFFAOYSA-N 1 2 355.829 2.673 20 30 FFEDLO Cn1nccc1C1=CC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000285601846 510973345 /nfs/dbraw/zinc/97/33/45/510973345.db2.gz MBFFUSPVBBPNQZ-UHFFFAOYSA-N 1 2 355.829 2.673 20 30 FFEDLO CCOC(=O)c1n[nH]c(C2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)n1 ZINC000277818702 510973758 /nfs/dbraw/zinc/97/37/58/510973758.db2.gz QPXJRLOAIRCYTR-UHFFFAOYSA-N 1 2 372.856 2.866 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285619304 510980567 /nfs/dbraw/zinc/98/05/67/510980567.db2.gz QPLKTLCFEDDWIL-BLLLJJGKSA-N 1 2 355.360 2.665 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285619304 510980570 /nfs/dbraw/zinc/98/05/70/510980570.db2.gz QPLKTLCFEDDWIL-BLLLJJGKSA-N 1 2 355.360 2.665 20 30 FFEDLO C#CCCCSc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1 ZINC000270816860 510993631 /nfs/dbraw/zinc/99/36/31/510993631.db2.gz FUERFXPSCFCZDO-UHFFFAOYSA-N 1 2 374.485 2.922 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H](C)C1 ZINC000282486613 510997917 /nfs/dbraw/zinc/99/79/17/510997917.db2.gz UGFSRZRJHGZXIE-OAHLLOKOSA-N 1 2 352.438 2.632 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H](C)C1 ZINC000282486613 510997923 /nfs/dbraw/zinc/99/79/23/510997923.db2.gz UGFSRZRJHGZXIE-OAHLLOKOSA-N 1 2 352.438 2.632 20 30 FFEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F ZINC000330613610 511003535 /nfs/dbraw/zinc/00/35/35/511003535.db2.gz ACYMUUCZTLDJLO-LLVKDONJSA-N 1 2 362.396 2.682 20 30 FFEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F ZINC000330613610 511003539 /nfs/dbraw/zinc/00/35/39/511003539.db2.gz ACYMUUCZTLDJLO-LLVKDONJSA-N 1 2 362.396 2.682 20 30 FFEDLO CC(C)CC[C@@H](C)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330727539 511013130 /nfs/dbraw/zinc/01/31/30/511013130.db2.gz GIRHHRAPYGAVMA-OAHLLOKOSA-N 1 2 361.490 2.620 20 30 FFEDLO COc1ccccc1O[C@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000286334115 511023366 /nfs/dbraw/zinc/02/33/66/511023366.db2.gz GCLZMJYEGNSWOO-JXFKEZNVSA-N 1 2 359.470 2.593 20 30 FFEDLO COc1ccccc1O[C@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000286334115 511023372 /nfs/dbraw/zinc/02/33/72/511023372.db2.gz GCLZMJYEGNSWOO-JXFKEZNVSA-N 1 2 359.470 2.593 20 30 FFEDLO N#Cc1cc(Br)ccc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000294391405 511048474 /nfs/dbraw/zinc/04/84/74/511048474.db2.gz CKMYHBGAWFLPOJ-UHFFFAOYSA-N 1 2 359.227 2.995 20 30 FFEDLO CN(C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1)C1(C#N)CCCCC1 ZINC000331607337 511069564 /nfs/dbraw/zinc/06/95/64/511069564.db2.gz OTZQCEBVMZYUGY-QZTJIDSGSA-N 1 2 359.445 2.618 20 30 FFEDLO CN(C(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1)C1(C#N)CCCCC1 ZINC000331607337 511069568 /nfs/dbraw/zinc/06/95/68/511069568.db2.gz OTZQCEBVMZYUGY-QZTJIDSGSA-N 1 2 359.445 2.618 20 30 FFEDLO CCn1cc[nH+]c1CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000298554397 511327523 /nfs/dbraw/zinc/32/75/23/511327523.db2.gz YWEDWLBKXMBVFA-UHFFFAOYSA-N 1 2 350.344 2.773 20 30 FFEDLO N#CCC[C@@H](C#N)C[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000280324412 511422502 /nfs/dbraw/zinc/42/25/02/511422502.db2.gz YXBSEXJFURTOJZ-KRWDZBQOSA-N 1 2 362.433 2.748 20 30 FFEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000280324412 511422503 /nfs/dbraw/zinc/42/25/03/511422503.db2.gz YXBSEXJFURTOJZ-KRWDZBQOSA-N 1 2 362.433 2.748 20 30 FFEDLO N#Cc1cccc(CS(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000298833844 511425220 /nfs/dbraw/zinc/42/52/20/511425220.db2.gz BUUQRRMFICGAJY-UHFFFAOYSA-N 1 2 370.478 2.563 20 30 FFEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cccc(C(=O)NCC)c1 ZINC000272329318 511490490 /nfs/dbraw/zinc/49/04/90/511490490.db2.gz VTKNYKOICMHHSK-UHFFFAOYSA-N 1 2 355.438 2.699 20 30 FFEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cccc(C(=O)NCC)c1 ZINC000272329318 511490496 /nfs/dbraw/zinc/49/04/96/511490496.db2.gz VTKNYKOICMHHSK-UHFFFAOYSA-N 1 2 355.438 2.699 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nc(-c4cccs4)no3)C2)nc1 ZINC000292165902 511491170 /nfs/dbraw/zinc/49/11/70/511491170.db2.gz LLIUHDAMIJBSOT-CYBMUJFWSA-N 1 2 353.407 2.718 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nc(-c4cccs4)no3)C2)nc1 ZINC000292165902 511491176 /nfs/dbraw/zinc/49/11/76/511491176.db2.gz LLIUHDAMIJBSOT-CYBMUJFWSA-N 1 2 353.407 2.718 20 30 FFEDLO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000299054112 511498538 /nfs/dbraw/zinc/49/85/38/511498538.db2.gz LYRSOKLHWUSZAT-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)c1 ZINC000295762204 511507288 /nfs/dbraw/zinc/50/72/88/511507288.db2.gz XZMAKSMPGZPCFC-UHFFFAOYSA-N 1 2 356.401 2.908 20 30 FFEDLO Cc1cc(-c2noc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C3CC3)n2)ccc1F ZINC000273310239 511521382 /nfs/dbraw/zinc/52/13/82/511521382.db2.gz MXNDBJDCUGLTSW-HXPMCKFVSA-N 1 2 371.416 2.643 20 30 FFEDLO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292263798 511528474 /nfs/dbraw/zinc/52/84/74/511528474.db2.gz RQATYYOSIHJZPQ-GDBMZVCRSA-N 1 2 371.441 2.723 20 30 FFEDLO CC(C)CO[C@H](C)c1noc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292263798 511528480 /nfs/dbraw/zinc/52/84/80/511528480.db2.gz RQATYYOSIHJZPQ-GDBMZVCRSA-N 1 2 371.441 2.723 20 30 FFEDLO C#CCN(CC)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273574902 511539780 /nfs/dbraw/zinc/53/97/80/511539780.db2.gz MAZVYHIYROADJY-UHFFFAOYSA-N 1 2 363.259 2.612 20 30 FFEDLO C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292294272 511542320 /nfs/dbraw/zinc/54/23/20/511542320.db2.gz ULBKYEPYQAUBCV-RHSMWYFYSA-N 1 2 367.457 2.659 20 30 FFEDLO C[C@H](c1nnnn1C1CCCCC1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292294272 511542324 /nfs/dbraw/zinc/54/23/24/511542324.db2.gz ULBKYEPYQAUBCV-RHSMWYFYSA-N 1 2 367.457 2.659 20 30 FFEDLO N#Cc1cnc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c(Cl)c1 ZINC000280700433 511568976 /nfs/dbraw/zinc/56/89/76/511568976.db2.gz GUGPICXTHSGSKG-MSOLQXFVSA-N 1 2 354.841 2.696 20 30 FFEDLO N#Cc1cnc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c(Cl)c1 ZINC000280700433 511568985 /nfs/dbraw/zinc/56/89/85/511568985.db2.gz GUGPICXTHSGSKG-MSOLQXFVSA-N 1 2 354.841 2.696 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(SC(F)F)cc1 ZINC000299574016 511664777 /nfs/dbraw/zinc/66/47/77/511664777.db2.gz XLYAOPIFPXACLG-UHFFFAOYSA-N 1 2 369.437 2.689 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](OCc3ccncc3)C2)cc1Cl ZINC000281009852 511686800 /nfs/dbraw/zinc/68/68/00/511686800.db2.gz NKRAUUOBMZQDKH-KRWDZBQOSA-N 1 2 370.840 2.836 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](OCc3ccncc3)C2)cc1Cl ZINC000281009852 511686806 /nfs/dbraw/zinc/68/68/06/511686806.db2.gz NKRAUUOBMZQDKH-KRWDZBQOSA-N 1 2 370.840 2.836 20 30 FFEDLO C#CCNC(=O)c1ccc(NCc2ccc(N3CCC(C)CC3)[nH+]c2)nc1 ZINC000301265859 511693368 /nfs/dbraw/zinc/69/33/68/511693368.db2.gz WMLNOOXYSNTADZ-UHFFFAOYSA-N 1 2 363.465 2.688 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)C1=O ZINC000281142946 511735940 /nfs/dbraw/zinc/73/59/40/511735940.db2.gz DVVPAJCQAUUEHL-ZDUSSCGKSA-N 1 2 368.231 2.576 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)C1=O ZINC000281142946 511735946 /nfs/dbraw/zinc/73/59/46/511735946.db2.gz DVVPAJCQAUUEHL-ZDUSSCGKSA-N 1 2 368.231 2.576 20 30 FFEDLO Cc1ccnc(C2CC[NH+]([C@H]3CCN(c4sccc4C#N)C3=O)CC2)n1 ZINC000363791064 511769805 /nfs/dbraw/zinc/76/98/05/511769805.db2.gz CCWMLHXFXCERLQ-INIZCTEOSA-N 1 2 367.478 2.703 20 30 FFEDLO N#Cc1cccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000311795487 511780468 /nfs/dbraw/zinc/78/04/68/511780468.db2.gz RZGJFYLFVYQQCA-KRWDZBQOSA-N 1 2 352.394 2.779 20 30 FFEDLO N#Cc1cccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000311795487 511780474 /nfs/dbraw/zinc/78/04/74/511780474.db2.gz RZGJFYLFVYQQCA-KRWDZBQOSA-N 1 2 352.394 2.779 20 30 FFEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000281301761 511797113 /nfs/dbraw/zinc/79/71/13/511797113.db2.gz HYTJLJFSHFCYRX-DNVCBOLYSA-N 1 2 359.495 2.973 20 30 FFEDLO C[C@H](c1nccs1)[NH+]1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000274344551 511803156 /nfs/dbraw/zinc/80/31/56/511803156.db2.gz ZVYKDPIMOYZSGP-CYBMUJFWSA-N 1 2 350.451 2.841 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)c1 ZINC000293055608 511824239 /nfs/dbraw/zinc/82/42/39/511824239.db2.gz OODGYFDKHAMUMV-UHFFFAOYSA-N 1 2 365.359 2.655 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)C1=O ZINC000281412243 511838630 /nfs/dbraw/zinc/83/86/30/511838630.db2.gz RFBDDQKPKRNPFP-VYDXJSESSA-N 1 2 369.465 2.717 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)C1=O ZINC000281412243 511838636 /nfs/dbraw/zinc/83/86/36/511838636.db2.gz RFBDDQKPKRNPFP-VYDXJSESSA-N 1 2 369.465 2.717 20 30 FFEDLO O=C(C[N@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1)NC(=O)NC1CC1 ZINC000328608865 511891773 /nfs/dbraw/zinc/89/17/73/511891773.db2.gz MEDLEUDSDAJSLT-SECBINFHSA-N 1 2 359.352 2.641 20 30 FFEDLO O=C(C[N@@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1)NC(=O)NC1CC1 ZINC000328608865 511891778 /nfs/dbraw/zinc/89/17/78/511891778.db2.gz MEDLEUDSDAJSLT-SECBINFHSA-N 1 2 359.352 2.641 20 30 FFEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000328695075 511916557 /nfs/dbraw/zinc/91/65/57/511916557.db2.gz SUGBSBDVJCPVNB-KSZLIROESA-N 1 2 352.438 2.834 20 30 FFEDLO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3nnc4n3CCCC4)C2)n1 ZINC000328719686 511921249 /nfs/dbraw/zinc/92/12/49/511921249.db2.gz QIWVCNIDYBWPND-HNNXBMFYSA-N 1 2 354.458 2.818 20 30 FFEDLO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nnc4n3CCCC4)C2)n1 ZINC000328719686 511921251 /nfs/dbraw/zinc/92/12/51/511921251.db2.gz QIWVCNIDYBWPND-HNNXBMFYSA-N 1 2 354.458 2.818 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NCC2CCC(F)(F)CC2)CCO1 ZINC000328811630 511935417 /nfs/dbraw/zinc/93/54/17/511935417.db2.gz OPOSIJHHSNQAHJ-HIFRSBDPSA-N 1 2 356.417 2.969 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC000328830679 511937228 /nfs/dbraw/zinc/93/72/28/511937228.db2.gz RDMPRPQOKZTVIK-DEYYWGMASA-N 1 2 366.437 2.917 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC000328830679 511937235 /nfs/dbraw/zinc/93/72/35/511937235.db2.gz RDMPRPQOKZTVIK-DEYYWGMASA-N 1 2 366.437 2.917 20 30 FFEDLO C[C@@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)N1CCOCC1 ZINC000328852329 511940999 /nfs/dbraw/zinc/94/09/99/511940999.db2.gz ITYPNFBLILYUCD-KBPBESRZSA-N 1 2 352.504 2.684 20 30 FFEDLO C[C@@H](C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)N1CCOCC1 ZINC000328852329 511941004 /nfs/dbraw/zinc/94/10/04/511941004.db2.gz ITYPNFBLILYUCD-KBPBESRZSA-N 1 2 352.504 2.684 20 30 FFEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000328925321 511951438 /nfs/dbraw/zinc/95/14/38/511951438.db2.gz ODYCYRNFLZHCSR-RTBURBONSA-N 1 2 373.472 2.830 20 30 FFEDLO O=C(NCCC1CCS(=O)(=O)CC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000328984416 511960828 /nfs/dbraw/zinc/96/08/28/511960828.db2.gz GCYRFURYHPQATO-SFHVURJKSA-N 1 2 364.511 2.822 20 30 FFEDLO O=C(NCCC1CCS(=O)(=O)CC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000328984416 511960833 /nfs/dbraw/zinc/96/08/33/511960833.db2.gz GCYRFURYHPQATO-SFHVURJKSA-N 1 2 364.511 2.822 20 30 FFEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000328998896 511965126 /nfs/dbraw/zinc/96/51/26/511965126.db2.gz WZXGTDXRDMNJDP-UHOSZYNNSA-N 1 2 372.513 2.963 20 30 FFEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000328998896 511965129 /nfs/dbraw/zinc/96/51/29/511965129.db2.gz WZXGTDXRDMNJDP-UHOSZYNNSA-N 1 2 372.513 2.963 20 30 FFEDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000296985043 511976645 /nfs/dbraw/zinc/97/66/45/511976645.db2.gz ZFXIALZXWDLWPB-CYBMUJFWSA-N 1 2 352.232 2.593 20 30 FFEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000296985043 511976650 /nfs/dbraw/zinc/97/66/50/511976650.db2.gz ZFXIALZXWDLWPB-CYBMUJFWSA-N 1 2 352.232 2.593 20 30 FFEDLO C[C@@H]1C(=O)CC[C@H]1CC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329093245 511982333 /nfs/dbraw/zinc/98/23/33/511982333.db2.gz XIGDQABGHDQAMY-WWVJOHPTSA-N 1 2 372.469 2.576 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccnc(C#N)c2)[C@@H](C)C1 ZINC000281836202 511983546 /nfs/dbraw/zinc/98/35/46/511983546.db2.gz NUKBOXGTKNPDSF-INIZCTEOSA-N 1 2 364.449 2.698 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccnc(C#N)c2)[C@@H](C)C1 ZINC000281836202 511983549 /nfs/dbraw/zinc/98/35/49/511983549.db2.gz NUKBOXGTKNPDSF-INIZCTEOSA-N 1 2 364.449 2.698 20 30 FFEDLO C[C@H]1CC[C@H](NC(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)CC1 ZINC000329109460 511984136 /nfs/dbraw/zinc/98/41/36/511984136.db2.gz FYLKIKKUZMRVQG-NPNMTCQASA-N 1 2 373.501 2.697 20 30 FFEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)sc1C ZINC000329169771 511997124 /nfs/dbraw/zinc/99/71/24/511997124.db2.gz JSTOEPIWTVAOPM-OSAQELSMSA-N 1 2 352.504 2.531 20 30 FFEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)sc1C ZINC000329169771 511997128 /nfs/dbraw/zinc/99/71/28/511997128.db2.gz JSTOEPIWTVAOPM-OSAQELSMSA-N 1 2 352.504 2.531 20 30 FFEDLO Cc1nc(NC(=O)[C@H](C)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)sc1C ZINC000329169771 511997131 /nfs/dbraw/zinc/99/71/31/511997131.db2.gz JSTOEPIWTVAOPM-OSAQELSMSA-N 1 2 352.504 2.531 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](CC)CC(=O)Nc2ccccc2C(F)(F)F)C1=O ZINC000281925872 512013395 /nfs/dbraw/zinc/01/33/95/512013395.db2.gz HRCCBRQFVPLGNU-OAHLLOKOSA-N 1 2 369.387 2.753 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](CC)CC(=O)Nc2ccccc2C(F)(F)F)C1=O ZINC000281925872 512013402 /nfs/dbraw/zinc/01/34/02/512013402.db2.gz HRCCBRQFVPLGNU-OAHLLOKOSA-N 1 2 369.387 2.753 20 30 FFEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)C1=O ZINC000281929514 512014993 /nfs/dbraw/zinc/01/49/93/512014993.db2.gz HVKJRXOGEFNKQT-HOTGVXAUSA-N 1 2 365.271 2.609 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)C1=O ZINC000281929514 512014999 /nfs/dbraw/zinc/01/49/99/512014999.db2.gz HVKJRXOGEFNKQT-HOTGVXAUSA-N 1 2 365.271 2.609 20 30 FFEDLO N#Cc1ccc(Cl)c(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000285149790 512018610 /nfs/dbraw/zinc/01/86/10/512018610.db2.gz XMFRGJNPTSGMCD-QGZVFWFLSA-N 1 2 369.852 2.842 20 30 FFEDLO N#Cc1ccc(Cl)c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000285149790 512018616 /nfs/dbraw/zinc/01/86/16/512018616.db2.gz XMFRGJNPTSGMCD-QGZVFWFLSA-N 1 2 369.852 2.842 20 30 FFEDLO C[C@@H](O)[C@@H]1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000329401104 512039904 /nfs/dbraw/zinc/03/99/04/512039904.db2.gz YABFOMTUDHRCOP-MGPQQGTHSA-N 1 2 352.504 2.623 20 30 FFEDLO C[C@@H](O)[C@@H]1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000329401104 512039905 /nfs/dbraw/zinc/03/99/05/512039905.db2.gz YABFOMTUDHRCOP-MGPQQGTHSA-N 1 2 352.504 2.623 20 30 FFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCOC[C@H]2[C@H]2CCCO2)c1 ZINC000329431361 512046193 /nfs/dbraw/zinc/04/61/93/512046193.db2.gz ILPFMNAFLREAAH-DLBZAZTESA-N 1 2 356.426 2.512 20 30 FFEDLO Cc1noc([C@@H]2CCCN2C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)n1 ZINC000329439866 512047890 /nfs/dbraw/zinc/04/78/90/512047890.db2.gz MTOIBFQQPQANII-KGLIPLIRSA-N 1 2 372.473 2.938 20 30 FFEDLO CCn1cc(Br)c(=O)c(NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC000329476153 512054576 /nfs/dbraw/zinc/05/45/76/512054576.db2.gz PIJOSYSFMDTZPN-UHFFFAOYSA-N 1 2 356.264 2.951 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)NC(=O)N[C@@H]3CCCC[C@@H]3C)C2)[nH]1 ZINC000329500461 512057909 /nfs/dbraw/zinc/05/79/09/512057909.db2.gz YJGFXWHGPLFEEP-NWANDNLSSA-N 1 2 362.478 2.742 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)NC(=O)N[C@@H]3CCCC[C@@H]3C)C2)[nH]1 ZINC000329500461 512057915 /nfs/dbraw/zinc/05/79/15/512057915.db2.gz YJGFXWHGPLFEEP-NWANDNLSSA-N 1 2 362.478 2.742 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)NC(=O)N[C@@H]3CCCC[C@@H]3C)C2)n1 ZINC000329500461 512057922 /nfs/dbraw/zinc/05/79/22/512057922.db2.gz YJGFXWHGPLFEEP-NWANDNLSSA-N 1 2 362.478 2.742 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)NC(=O)N[C@@H]3CCCC[C@@H]3C)C2)n1 ZINC000329500461 512057925 /nfs/dbraw/zinc/05/79/25/512057925.db2.gz YJGFXWHGPLFEEP-NWANDNLSSA-N 1 2 362.478 2.742 20 30 FFEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)NC(=O)N[C@@H]3CCCC[C@@H]3C)C2)n[nH]1 ZINC000329500461 512057932 /nfs/dbraw/zinc/05/79/32/512057932.db2.gz YJGFXWHGPLFEEP-NWANDNLSSA-N 1 2 362.478 2.742 20 30 FFEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)NC(=O)N[C@@H]3CCCC[C@@H]3C)C2)n[nH]1 ZINC000329500461 512057937 /nfs/dbraw/zinc/05/79/37/512057937.db2.gz YJGFXWHGPLFEEP-NWANDNLSSA-N 1 2 362.478 2.742 20 30 FFEDLO Cc1nc(C[N@H+]2CCCN(C(=O)N[C@H](C)[C@H]3CCCOC3)CC2)cs1 ZINC000329510752 512060340 /nfs/dbraw/zinc/06/03/40/512060340.db2.gz MTRRMFNCJCKBKW-ZBFHGGJFSA-N 1 2 366.531 2.688 20 30 FFEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@H](C)[C@H]3CCCOC3)CC2)cs1 ZINC000329510752 512060345 /nfs/dbraw/zinc/06/03/45/512060345.db2.gz MTRRMFNCJCKBKW-ZBFHGGJFSA-N 1 2 366.531 2.688 20 30 FFEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCSc3ccccc32)CC1 ZINC000329623656 512078520 /nfs/dbraw/zinc/07/85/20/512078520.db2.gz HONMKSZENGHBOS-INIZCTEOSA-N 1 2 361.511 2.777 20 30 FFEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCSc3ccccc32)CC1 ZINC000329623656 512078523 /nfs/dbraw/zinc/07/85/23/512078523.db2.gz HONMKSZENGHBOS-INIZCTEOSA-N 1 2 361.511 2.777 20 30 FFEDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)NC[C@@H]1CCCCS1 ZINC000329619961 512078846 /nfs/dbraw/zinc/07/88/46/512078846.db2.gz FHMLCVJDCHBGDE-SFHVURJKSA-N 1 2 363.527 2.808 20 30 FFEDLO COc1cccc(-c2nc(=NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)s[nH]2)c1 ZINC000329813274 512100706 /nfs/dbraw/zinc/10/07/06/512100706.db2.gz DIJATVFLIZHZTO-CABCVRRESA-N 1 2 373.482 2.588 20 30 FFEDLO COc1cccc(-c2nc(=NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)s[nH]2)c1 ZINC000329813274 512100709 /nfs/dbraw/zinc/10/07/09/512100709.db2.gz DIJATVFLIZHZTO-CABCVRRESA-N 1 2 373.482 2.588 20 30 FFEDLO O=C(Nc1ccccc1C[NH+]1CCOCC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000329824319 512101842 /nfs/dbraw/zinc/10/18/42/512101842.db2.gz HTZOTICDCOOPIN-FQEVSTJZSA-N 1 2 372.469 2.507 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)c(C#N)c1C ZINC000371866659 512609481 /nfs/dbraw/zinc/60/94/81/512609481.db2.gz OKGIEEHCSVQQES-OAHLLOKOSA-N 1 2 374.510 2.652 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)c(C#N)c1C ZINC000371866659 512609488 /nfs/dbraw/zinc/60/94/88/512609488.db2.gz OKGIEEHCSVQQES-OAHLLOKOSA-N 1 2 374.510 2.652 20 30 FFEDLO C#CCOc1ccccc1C[N@@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000378347057 512707026 /nfs/dbraw/zinc/70/70/26/512707026.db2.gz UIQQSTZTKYVBAK-UHFFFAOYSA-N 1 2 358.445 2.897 20 30 FFEDLO C#CCOc1ccccc1C[N@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000378347057 512707030 /nfs/dbraw/zinc/70/70/30/512707030.db2.gz UIQQSTZTKYVBAK-UHFFFAOYSA-N 1 2 358.445 2.897 20 30 FFEDLO C[C@H](C(=O)NCc1cccs1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374321607 512765891 /nfs/dbraw/zinc/76/58/91/512765891.db2.gz BQCURZVHNSLMAJ-OAHLLOKOSA-N 1 2 354.479 2.705 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000368058156 512784450 /nfs/dbraw/zinc/78/44/50/512784450.db2.gz WITDUTHRHKHTDO-OAQYLSRUSA-N 1 2 359.429 2.858 20 30 FFEDLO Cc1cc(C#N)nc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)n1 ZINC000376446488 512821573 /nfs/dbraw/zinc/82/15/73/512821573.db2.gz CASIWMQNNSWKQO-SJORKVTESA-N 1 2 357.845 2.794 20 30 FFEDLO Cc1cc(C#N)nc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000376446488 512821578 /nfs/dbraw/zinc/82/15/78/512821578.db2.gz CASIWMQNNSWKQO-SJORKVTESA-N 1 2 357.845 2.794 20 30 FFEDLO CCCCNc1cc(N2CCC(C#N)(c3ccccn3)CC2)nc(N)[nH+]1 ZINC000376476444 512835476 /nfs/dbraw/zinc/83/54/76/512835476.db2.gz ZUNFZQJMFYUPPJ-UHFFFAOYSA-N 1 2 351.458 2.558 20 30 FFEDLO CCCCNc1cc(N2CCC(C#N)(c3ccccn3)CC2)[nH+]c(N)n1 ZINC000376476444 512835479 /nfs/dbraw/zinc/83/54/79/512835479.db2.gz ZUNFZQJMFYUPPJ-UHFFFAOYSA-N 1 2 351.458 2.558 20 30 FFEDLO Cn1cc([C@H]([NH2+]CC(=O)Nc2sccc2C#N)c2ccccc2)cn1 ZINC000374596115 512909014 /nfs/dbraw/zinc/90/90/14/512909014.db2.gz QVGHDHNAGGCRDJ-QGZVFWFLSA-N 1 2 351.435 2.671 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000412022708 512915721 /nfs/dbraw/zinc/91/57/21/512915721.db2.gz AVVPTTGPXHNJNT-CQSZACIVSA-N 1 2 357.483 2.819 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000412022708 512915724 /nfs/dbraw/zinc/91/57/24/512915724.db2.gz AVVPTTGPXHNJNT-CQSZACIVSA-N 1 2 357.483 2.819 20 30 FFEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000407974037 512977455 /nfs/dbraw/zinc/97/74/55/512977455.db2.gz ZUVHARPGUHZGON-IYBDPMFKSA-N 1 2 358.461 2.609 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c(C#N)c1C ZINC000374864111 513043838 /nfs/dbraw/zinc/04/38/38/513043838.db2.gz LXJHQRMULKCKNI-RNODOKPDSA-N 1 2 371.412 2.828 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c(C#N)c1C ZINC000374864111 513043840 /nfs/dbraw/zinc/04/38/40/513043840.db2.gz LXJHQRMULKCKNI-RNODOKPDSA-N 1 2 371.412 2.828 20 30 FFEDLO N#CCOc1ccc(CC(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)cc1 ZINC000374869544 513046842 /nfs/dbraw/zinc/04/68/42/513046842.db2.gz SPBHOPYPUJLOFY-LJQANCHMSA-N 1 2 369.852 2.958 20 30 FFEDLO Cc1cc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c(C)c[nH+]1 ZINC000372841282 513069271 /nfs/dbraw/zinc/06/92/71/513069271.db2.gz XTFLBYWXBCBRNR-UHFFFAOYSA-N 1 2 365.437 2.899 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000424492722 513166745 /nfs/dbraw/zinc/16/67/45/513166745.db2.gz IWDWECLJYJKVQY-SJORKVTESA-N 1 2 358.486 2.538 20 30 FFEDLO CC[C@@H](Cc1ccccc1C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000424625043 513211736 /nfs/dbraw/zinc/21/17/36/513211736.db2.gz GSCVYZFMJLXBGV-IBGZPJMESA-N 1 2 357.498 2.638 20 30 FFEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)CCOCC1 ZINC000424633355 513214441 /nfs/dbraw/zinc/21/44/41/513214441.db2.gz CAKMMWWQJKGFFI-UHFFFAOYSA-N 1 2 358.482 2.712 20 30 FFEDLO C=C(C)C(C)(C)C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000424633906 513215368 /nfs/dbraw/zinc/21/53/68/513215368.db2.gz DOMZHQVDYXIYCW-UHFFFAOYSA-N 1 2 356.470 2.978 20 30 FFEDLO CC1(C)C[N@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@@H](C(F)(F)F)O1 ZINC000428933809 513227880 /nfs/dbraw/zinc/22/78/80/513227880.db2.gz VJWRWPMLLWZIQP-AWEZNQCLSA-N 1 2 355.360 2.929 20 30 FFEDLO CC1(C)C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@@H](C(F)(F)F)O1 ZINC000428933809 513227886 /nfs/dbraw/zinc/22/78/86/513227886.db2.gz VJWRWPMLLWZIQP-AWEZNQCLSA-N 1 2 355.360 2.929 20 30 FFEDLO Cc1cc(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc(C)[nH+]1 ZINC000421581416 513317709 /nfs/dbraw/zinc/31/77/09/513317709.db2.gz YSDJUYSKMKNBNY-UHFFFAOYSA-N 1 2 371.462 2.706 20 30 FFEDLO CC#CCCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2CCCC)c1 ZINC000440727288 513392104 /nfs/dbraw/zinc/39/21/04/513392104.db2.gz KFZMKNXFEITYMT-UHFFFAOYSA-N 1 2 352.438 2.818 20 30 FFEDLO Cc1cc(NC[C@H](O)COc2cccc(C(F)(F)F)c2)c(C#N)c[nH+]1 ZINC000425218394 513458325 /nfs/dbraw/zinc/45/83/25/513458325.db2.gz YCFYZAOZQZJRTN-AWEZNQCLSA-N 1 2 351.328 2.554 20 30 FFEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ncc4c(c3C#N)CCC4)CC2)no1 ZINC000425256906 513478260 /nfs/dbraw/zinc/47/82/60/513478260.db2.gz PQQVRISMKYLQMT-INIZCTEOSA-N 1 2 366.469 2.624 20 30 FFEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ncc4c(c3C#N)CCC4)CC2)no1 ZINC000425256906 513478266 /nfs/dbraw/zinc/47/82/66/513478266.db2.gz PQQVRISMKYLQMT-INIZCTEOSA-N 1 2 366.469 2.624 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000435023714 513490146 /nfs/dbraw/zinc/49/01/46/513490146.db2.gz NAHACXCRASXELQ-QGZVFWFLSA-N 1 2 360.461 2.890 20 30 FFEDLO COC(=O)c1cnc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)s1 ZINC000425491455 513597180 /nfs/dbraw/zinc/59/71/80/513597180.db2.gz QLMSPZHTGBWTOT-CYBMUJFWSA-N 1 2 372.450 2.527 20 30 FFEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NS(=O)(=O)CCCCC#N)c(C)c1 ZINC000441896677 513641001 /nfs/dbraw/zinc/64/10/01/513641001.db2.gz WGYUGNQQCOSOGV-SFHVURJKSA-N 1 2 360.483 2.855 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H](C)C1 ZINC000425630007 513669375 /nfs/dbraw/zinc/66/93/75/513669375.db2.gz RHUXMXGPELGZGH-JENIJYKNSA-N 1 2 370.497 2.993 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H](C)C1 ZINC000425630007 513669383 /nfs/dbraw/zinc/66/93/83/513669383.db2.gz RHUXMXGPELGZGH-JENIJYKNSA-N 1 2 370.497 2.993 20 30 FFEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NS(=O)(=O)CC2(CC#N)CC2)c(C)c1 ZINC000451352676 513696549 /nfs/dbraw/zinc/69/65/49/513696549.db2.gz YVYGPRFCJFOMFI-GOSISDBHSA-N 1 2 372.494 2.855 20 30 FFEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@H]1C ZINC000451358669 513701529 /nfs/dbraw/zinc/70/15/29/513701529.db2.gz JMCPVBLGWXOCNT-CHWSQXEVSA-N 1 2 355.891 2.509 20 30 FFEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@H]1C ZINC000451358669 513701535 /nfs/dbraw/zinc/70/15/35/513701535.db2.gz JMCPVBLGWXOCNT-CHWSQXEVSA-N 1 2 355.891 2.509 20 30 FFEDLO N#C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000425808818 513756289 /nfs/dbraw/zinc/75/62/89/513756289.db2.gz VVUCHJWWNQLBPV-DZGCQCFKSA-N 1 2 350.378 2.621 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000451464338 513765719 /nfs/dbraw/zinc/76/57/19/513765719.db2.gz UNJGJVHOGBORHZ-UHOSZYNNSA-N 1 2 358.482 2.709 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000451464338 513765723 /nfs/dbraw/zinc/76/57/23/513765723.db2.gz UNJGJVHOGBORHZ-UHOSZYNNSA-N 1 2 358.482 2.709 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000422527502 513832450 /nfs/dbraw/zinc/83/24/50/513832450.db2.gz LYVYQMQRFLVNKB-MSOLQXFVSA-N 1 2 366.465 2.767 20 30 FFEDLO C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000416584418 513849276 /nfs/dbraw/zinc/84/92/76/513849276.db2.gz DEQNHVYYGGSFRI-HNNXBMFYSA-N 1 2 373.453 2.592 20 30 FFEDLO C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000416584418 513849285 /nfs/dbraw/zinc/84/92/85/513849285.db2.gz DEQNHVYYGGSFRI-HNNXBMFYSA-N 1 2 373.453 2.592 20 30 FFEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCC3(C#N)CCC3)CC2)c1 ZINC000419624056 513863929 /nfs/dbraw/zinc/86/39/29/513863929.db2.gz JRHLNYZEPSURII-MRXNPFEDSA-N 1 2 356.470 2.777 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000451762314 513963753 /nfs/dbraw/zinc/96/37/53/513963753.db2.gz WRIRQBQAVAEJGE-OWJWWREXSA-N 1 2 368.568 2.884 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000451762314 513963763 /nfs/dbraw/zinc/96/37/63/513963763.db2.gz WRIRQBQAVAEJGE-OWJWWREXSA-N 1 2 368.568 2.884 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(NC(=O)c2cccs2)cc1 ZINC000414110708 513977951 /nfs/dbraw/zinc/97/79/51/513977951.db2.gz OMGDTSVHECKWFQ-HNNXBMFYSA-N 1 2 359.451 2.586 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(NC(=O)c2cccs2)cc1 ZINC000414110708 513977956 /nfs/dbraw/zinc/97/79/56/513977956.db2.gz OMGDTSVHECKWFQ-HNNXBMFYSA-N 1 2 359.451 2.586 20 30 FFEDLO CC[C@H](c1nnc(SC[C@@H](O)C[N@H+](C)CCC#N)o1)c1ccccc1 ZINC000414151138 513989794 /nfs/dbraw/zinc/98/97/94/513989794.db2.gz PRAUVPVYJBXWQB-HOTGVXAUSA-N 1 2 360.483 2.910 20 30 FFEDLO CC[C@H](c1nnc(SC[C@@H](O)C[N@@H+](C)CCC#N)o1)c1ccccc1 ZINC000414151138 513989800 /nfs/dbraw/zinc/98/98/00/513989800.db2.gz PRAUVPVYJBXWQB-HOTGVXAUSA-N 1 2 360.483 2.910 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000443636369 514009422 /nfs/dbraw/zinc/00/94/22/514009422.db2.gz DLEXIULEIASEEB-MAUKXSAKSA-N 1 2 355.825 2.891 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000443636369 514009430 /nfs/dbraw/zinc/00/94/30/514009430.db2.gz DLEXIULEIASEEB-MAUKXSAKSA-N 1 2 355.825 2.891 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451875886 514037700 /nfs/dbraw/zinc/03/77/00/514037700.db2.gz WNPKINLHEWEZCP-ZIAGYGMSSA-N 1 2 368.403 2.701 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451875886 514037706 /nfs/dbraw/zinc/03/77/06/514037706.db2.gz WNPKINLHEWEZCP-ZIAGYGMSSA-N 1 2 368.403 2.701 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000426844240 514056428 /nfs/dbraw/zinc/05/64/28/514056428.db2.gz YCPHQIWOSPZQCS-OAHLLOKOSA-N 1 2 351.441 2.900 20 30 FFEDLO Cc1cc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)ccc1C#N ZINC000443966171 514084889 /nfs/dbraw/zinc/08/48/89/514084889.db2.gz RXOOWJRGZDYDSZ-GOSISDBHSA-N 1 2 373.478 2.965 20 30 FFEDLO CCCC[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000437141623 514097252 /nfs/dbraw/zinc/09/72/52/514097252.db2.gz CWWMZCVHKNVUJJ-HNNXBMFYSA-N 1 2 372.437 2.949 20 30 FFEDLO CCCC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000437141623 514097257 /nfs/dbraw/zinc/09/72/57/514097257.db2.gz CWWMZCVHKNVUJJ-HNNXBMFYSA-N 1 2 372.437 2.949 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@H](C)[NH2+]Cc2ccc(F)cc21 ZINC000420455944 514154192 /nfs/dbraw/zinc/15/41/92/514154192.db2.gz GVZNXWLNPMPLNC-ZDUSSCGKSA-N 1 2 359.426 2.693 20 30 FFEDLO N#Cc1ccc(NCC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)nc1 ZINC000444536921 514251022 /nfs/dbraw/zinc/25/10/22/514251022.db2.gz VHADNLCRWRGYBP-UHFFFAOYSA-N 1 2 372.432 2.626 20 30 FFEDLO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000427704921 514289226 /nfs/dbraw/zinc/28/92/26/514289226.db2.gz GJMFTTFLFPSULZ-QFBILLFUSA-N 1 2 371.481 2.585 20 30 FFEDLO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000421028860 514446699 /nfs/dbraw/zinc/44/66/99/514446699.db2.gz UWFNZSJUJUULPZ-GXTWGEPZSA-N 1 2 363.483 2.858 20 30 FFEDLO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000421028860 514446704 /nfs/dbraw/zinc/44/67/04/514446704.db2.gz UWFNZSJUJUULPZ-GXTWGEPZSA-N 1 2 363.483 2.858 20 30 FFEDLO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)CC(C)(C)C#N ZINC000433310786 514454489 /nfs/dbraw/zinc/45/44/89/514454489.db2.gz JJAONCAKXLMIPN-IVKJLDKCSA-N 1 2 360.502 2.651 20 30 FFEDLO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)CC(C)(C)C#N ZINC000433310786 514454496 /nfs/dbraw/zinc/45/44/96/514454496.db2.gz JJAONCAKXLMIPN-IVKJLDKCSA-N 1 2 360.502 2.651 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000445646792 514501107 /nfs/dbraw/zinc/50/11/07/514501107.db2.gz IEAWBIMWJDJNNE-UHFFFAOYSA-N 1 2 355.388 2.723 20 30 FFEDLO N#Cc1cccc(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)c1Br ZINC000450182803 514527017 /nfs/dbraw/zinc/52/70/17/514527017.db2.gz HVARWTXYRAMABC-LBPRGKRZSA-N 1 2 359.227 2.825 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000439443240 514553058 /nfs/dbraw/zinc/55/30/58/514553058.db2.gz ALWMFRODWOKNSQ-AZUAARDMSA-N 1 2 364.449 2.652 20 30 FFEDLO C=CC[N@H+](Cc1nc(-c2cc(OC)ncn2)no1)Cc1ccc(OC)cc1 ZINC000450274296 514574712 /nfs/dbraw/zinc/57/47/12/514574712.db2.gz AOFVUJPQCFQSCH-UHFFFAOYSA-N 1 2 367.409 2.732 20 30 FFEDLO C=CC[N@@H+](Cc1nc(-c2cc(OC)ncn2)no1)Cc1ccc(OC)cc1 ZINC000450274296 514574720 /nfs/dbraw/zinc/57/47/20/514574720.db2.gz AOFVUJPQCFQSCH-UHFFFAOYSA-N 1 2 367.409 2.732 20 30 FFEDLO CCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@H](CC)C(=O)OCC ZINC000484559784 514690498 /nfs/dbraw/zinc/69/04/98/514690498.db2.gz XTHUQJDJFVHGFA-MRXNPFEDSA-N 1 2 351.491 2.725 20 30 FFEDLO CCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@H](CC)C(=O)OCC ZINC000484559784 514690503 /nfs/dbraw/zinc/69/05/03/514690503.db2.gz XTHUQJDJFVHGFA-MRXNPFEDSA-N 1 2 351.491 2.725 20 30 FFEDLO C[C@@H](NC(=O)Nc1ccc(CC#N)cc1Cl)[C@@H](C)[NH+]1CCOCC1 ZINC000455708390 514695339 /nfs/dbraw/zinc/69/53/39/514695339.db2.gz UDOBJSHGSUHNIK-CHWSQXEVSA-N 1 2 350.850 2.637 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471006509 514715080 /nfs/dbraw/zinc/71/50/80/514715080.db2.gz JUFONEIPXKOSOF-LJQANCHMSA-N 1 2 374.916 2.947 20 30 FFEDLO CN(C(=O)CN1CC[NH+](Cc2cccc(F)c2)CC1)C1(C#N)CCCCC1 ZINC000502741568 514759362 /nfs/dbraw/zinc/75/93/62/514759362.db2.gz VRCXKPIQBFWMBC-UHFFFAOYSA-N 1 2 372.488 2.628 20 30 FFEDLO N#CCCN(C(=O)C[NH+]1CCC(Oc2ccccn2)CC1)c1ccccc1 ZINC000471166472 514781384 /nfs/dbraw/zinc/78/13/84/514781384.db2.gz VRIFJGQQPWLFQS-UHFFFAOYSA-N 1 2 364.449 2.872 20 30 FFEDLO CC(C)C[C@H](CNC(=O)CSc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000484935368 514849466 /nfs/dbraw/zinc/84/94/66/514849466.db2.gz OMNQINHZLHKBKT-QGZVFWFLSA-N 1 2 361.511 2.513 20 30 FFEDLO C=CCn1c(CCC2CCCCC2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000508823702 514907683 /nfs/dbraw/zinc/90/76/83/514907683.db2.gz FIXQTWSXCOXZNH-IBGZPJMESA-N 1 2 373.545 2.888 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3nc(C)cc(C)c3C#N)CC2)cc(OC)c1 ZINC000476187305 514939374 /nfs/dbraw/zinc/93/93/74/514939374.db2.gz GGCDZSSRJWEZSQ-UHFFFAOYSA-N 1 2 366.465 2.910 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000471627098 514959329 /nfs/dbraw/zinc/95/93/29/514959329.db2.gz IHUPUIHZCCKILY-GOSISDBHSA-N 1 2 357.417 2.715 20 30 FFEDLO C=CCCCS(=O)(=O)N1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000489891772 515017981 /nfs/dbraw/zinc/01/79/81/515017981.db2.gz QORQTYFDSSPNBJ-HNNXBMFYSA-N 1 2 369.556 2.725 20 30 FFEDLO C=CCCCS(=O)(=O)N1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000489891772 515017984 /nfs/dbraw/zinc/01/79/84/515017984.db2.gz QORQTYFDSSPNBJ-HNNXBMFYSA-N 1 2 369.556 2.725 20 30 FFEDLO C=C(CNC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1)c1ccccc1 ZINC000458750261 515065724 /nfs/dbraw/zinc/06/57/24/515065724.db2.gz FCWVDPRXNQTQAQ-UHFFFAOYSA-N 1 2 369.465 2.837 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000453973994 515080358 /nfs/dbraw/zinc/08/03/58/515080358.db2.gz MTVCYGQNOGBOCZ-LLVKDONJSA-N 1 2 373.482 2.950 20 30 FFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458831248 515127346 /nfs/dbraw/zinc/12/73/46/515127346.db2.gz GXSNHTHCWMDZIN-RLLQIKCJSA-N 1 2 370.497 2.926 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456374616 515138948 /nfs/dbraw/zinc/13/89/48/515138948.db2.gz JQIJOTSFSUFPBY-DZGCQCFKSA-N 1 2 354.410 2.745 20 30 FFEDLO C=CCC[C@@H](C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000490293362 515165999 /nfs/dbraw/zinc/16/59/99/515165999.db2.gz NLDKNOHATOWZFY-HXUWFJFHSA-N 1 2 352.482 2.814 20 30 FFEDLO Cc1[nH]nc2ncc(C[NH+]3CCN(c4cccc(F)c4C#N)CC3)cc12 ZINC000509529742 515219425 /nfs/dbraw/zinc/21/94/25/515219425.db2.gz WLHYFFLNTXRNOH-UHFFFAOYSA-N 1 2 350.401 2.599 20 30 FFEDLO C[C@H](NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)c1ccc(C#N)cc1 ZINC000490747840 515296814 /nfs/dbraw/zinc/29/68/14/515296814.db2.gz WSOMQPWTZHFFIP-AWEZNQCLSA-N 1 2 373.416 2.775 20 30 FFEDLO Cc1[nH+]c2cc(NC(=O)CNc3ccc(C#N)cc3)ccc2n1[C@H](C)CO ZINC000456693854 515357988 /nfs/dbraw/zinc/35/79/88/515357988.db2.gz BFTRFXHCXAQEJU-CYBMUJFWSA-N 1 2 363.421 2.820 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](CCOC)Cc2ccc(Br)s2)C1=O ZINC000499731099 515430641 /nfs/dbraw/zinc/43/06/41/515430641.db2.gz DICHBPKGKNJOJT-ZDUSSCGKSA-N 1 2 373.316 2.746 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](CCOC)Cc2ccc(Br)s2)C1=O ZINC000499731099 515430651 /nfs/dbraw/zinc/43/06/51/515430651.db2.gz DICHBPKGKNJOJT-ZDUSSCGKSA-N 1 2 373.316 2.746 20 30 FFEDLO N#Cc1ccc(CN2CCC[N@@H+](Cc3cc(=O)[nH]c(C4CC4)n3)CC2)cc1 ZINC000459285859 515446795 /nfs/dbraw/zinc/44/67/95/515446795.db2.gz XEBQGCYTTAUABX-UHFFFAOYSA-N 1 2 363.465 2.639 20 30 FFEDLO N#Cc1ccc(CN2CCC[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)CC2)cc1 ZINC000459285859 515446802 /nfs/dbraw/zinc/44/68/02/515446802.db2.gz XEBQGCYTTAUABX-UHFFFAOYSA-N 1 2 363.465 2.639 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000459293690 515450536 /nfs/dbraw/zinc/45/05/36/515450536.db2.gz GFRNIRLOSJWKPC-UHFFFAOYSA-N 1 2 356.426 2.691 20 30 FFEDLO CN(C)C(=O)C[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000459398144 515523753 /nfs/dbraw/zinc/52/37/53/515523753.db2.gz TUZBPOXZYIANGF-KRWDZBQOSA-N 1 2 352.394 2.776 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)C1=O ZINC000500014130 515558053 /nfs/dbraw/zinc/55/80/53/515558053.db2.gz MQBJGYPTBGNBTL-XHDPSFHLSA-N 1 2 353.825 2.525 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)C1=O ZINC000500014130 515558063 /nfs/dbraw/zinc/55/80/63/515558063.db2.gz MQBJGYPTBGNBTL-XHDPSFHLSA-N 1 2 353.825 2.525 20 30 FFEDLO CC[C@](C)(C#N)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000456984327 515565781 /nfs/dbraw/zinc/56/57/81/515565781.db2.gz QPQLYQFLAYUOHM-OAHLLOKOSA-N 1 2 367.247 2.559 20 30 FFEDLO Cc1ccc(Cl)cc1N1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000469059441 515652119 /nfs/dbraw/zinc/65/21/19/515652119.db2.gz VLPMOYSGZRTSIO-HNNXBMFYSA-N 1 2 360.889 2.721 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1C#N ZINC000510791240 515670448 /nfs/dbraw/zinc/67/04/48/515670448.db2.gz KYYFXYWUPDNFFH-UHFFFAOYSA-N 1 2 363.387 2.941 20 30 FFEDLO N#CCC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccco1 ZINC000478041744 515679294 /nfs/dbraw/zinc/67/92/94/515679294.db2.gz NYPLWPFFTCRTID-UHFFFAOYSA-N 1 2 370.365 2.902 20 30 FFEDLO N#CCC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccco1 ZINC000478041744 515679306 /nfs/dbraw/zinc/67/93/06/515679306.db2.gz NYPLWPFFTCRTID-UHFFFAOYSA-N 1 2 370.365 2.902 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000505839153 515691942 /nfs/dbraw/zinc/69/19/42/515691942.db2.gz NDQYQLCOSDZRLV-UHFFFAOYSA-N 1 2 362.433 2.750 20 30 FFEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000505924713 515725753 /nfs/dbraw/zinc/72/57/53/515725753.db2.gz JXQGRDOSZPNBBK-FQEVSTJZSA-N 1 2 368.437 2.750 20 30 FFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)CNc1ccc(C#N)cc1 ZINC000464276605 515766544 /nfs/dbraw/zinc/76/65/44/515766544.db2.gz PJTMRHCWRPCABE-UHFFFAOYSA-N 1 2 359.433 2.874 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000469464266 515829130 /nfs/dbraw/zinc/82/91/30/515829130.db2.gz GTBMJJSQQDNXPA-MRXNPFEDSA-N 1 2 355.388 2.942 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000469464266 515829141 /nfs/dbraw/zinc/82/91/41/515829141.db2.gz GTBMJJSQQDNXPA-MRXNPFEDSA-N 1 2 355.388 2.942 20 30 FFEDLO CCOc1ccc(N2C(=O)C[C@@H]([N@H+](C)Cc3cccc(C#N)c3)C2=O)cc1 ZINC000506302091 515843910 /nfs/dbraw/zinc/84/39/10/515843910.db2.gz ZNMBXPHCGDQSSM-LJQANCHMSA-N 1 2 363.417 2.721 20 30 FFEDLO CCOc1ccc(N2C(=O)C[C@@H]([N@@H+](C)Cc3cccc(C#N)c3)C2=O)cc1 ZINC000506302091 515843914 /nfs/dbraw/zinc/84/39/14/515843914.db2.gz ZNMBXPHCGDQSSM-LJQANCHMSA-N 1 2 363.417 2.721 20 30 FFEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000482917890 515848078 /nfs/dbraw/zinc/84/80/78/515848078.db2.gz POHKTALRWIYZAD-KRWDZBQOSA-N 1 2 352.438 2.625 20 30 FFEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000482917890 515848087 /nfs/dbraw/zinc/84/80/87/515848087.db2.gz POHKTALRWIYZAD-KRWDZBQOSA-N 1 2 352.438 2.625 20 30 FFEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Br)cn1 ZINC000482967446 515865208 /nfs/dbraw/zinc/86/52/08/515865208.db2.gz XXBUCNAKCRZDTD-ZUZCIYMTSA-N 1 2 359.227 2.593 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000487744970 515961753 /nfs/dbraw/zinc/96/17/53/515961753.db2.gz VMMPNQHNTHXOSV-QZTJIDSGSA-N 1 2 357.498 2.580 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000487744970 515961766 /nfs/dbraw/zinc/96/17/66/515961766.db2.gz VMMPNQHNTHXOSV-QZTJIDSGSA-N 1 2 357.498 2.580 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000487773486 515971025 /nfs/dbraw/zinc/97/10/25/515971025.db2.gz YQCKKLIRASOPKY-GOSISDBHSA-N 1 2 357.498 2.500 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000487815882 515989448 /nfs/dbraw/zinc/98/94/48/515989448.db2.gz HWDVPCRZDBPUCW-JKSUJKDBSA-N 1 2 363.527 2.814 20 30 FFEDLO CCNc1ccc(C#N)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000469944467 516041684 /nfs/dbraw/zinc/04/16/84/516041684.db2.gz QHGUZBLVZCJXHO-FQEVSTJZSA-N 1 2 364.449 2.830 20 30 FFEDLO CCNc1ccc(C#N)cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000469944467 516041693 /nfs/dbraw/zinc/04/16/93/516041693.db2.gz QHGUZBLVZCJXHO-FQEVSTJZSA-N 1 2 364.449 2.830 20 30 FFEDLO N#Cc1ccc(CC(=O)NCc2cn3cc(Br)ccc3[nH+]2)cc1 ZINC000501345246 516070198 /nfs/dbraw/zinc/07/01/98/516070198.db2.gz USDNZIHRVKWXRS-UHFFFAOYSA-N 1 2 369.222 2.827 20 30 FFEDLO Cc1cc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)ncc1C#N ZINC000457727343 516099543 /nfs/dbraw/zinc/09/95/43/516099543.db2.gz GRVYRRSPBXZIQW-UHFFFAOYSA-N 1 2 354.841 2.703 20 30 FFEDLO Cc1cc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)ncc1C#N ZINC000457727343 516099549 /nfs/dbraw/zinc/09/95/49/516099549.db2.gz GRVYRRSPBXZIQW-UHFFFAOYSA-N 1 2 354.841 2.703 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+]1Cc2cc(Br)ccc2C[C@H]1C ZINC000501421704 516101251 /nfs/dbraw/zinc/10/12/51/516101251.db2.gz LQCWCFZPOXRZEX-CYBMUJFWSA-N 1 2 364.287 2.958 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+]1Cc2cc(Br)ccc2C[C@H]1C ZINC000501421704 516101257 /nfs/dbraw/zinc/10/12/57/516101257.db2.gz LQCWCFZPOXRZEX-CYBMUJFWSA-N 1 2 364.287 2.958 20 30 FFEDLO Cc1ccc(-n2c[nH+]c3c2CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C3)cc1 ZINC000488082346 516109971 /nfs/dbraw/zinc/10/99/71/516109971.db2.gz XVXUUWXJNNSDNK-OAQYLSRUSA-N 1 2 371.444 2.637 20 30 FFEDLO C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507204808 516123430 /nfs/dbraw/zinc/12/34/30/516123430.db2.gz LBVRLQAMUBYQMX-MRXNPFEDSA-N 1 2 372.488 2.904 20 30 FFEDLO O=C(NCC#Cc1cccc(F)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000512112697 516158199 /nfs/dbraw/zinc/15/81/99/516158199.db2.gz OULBPDURQMDVGS-UHFFFAOYSA-N 1 2 352.413 2.540 20 30 FFEDLO C=CC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000470170839 516161176 /nfs/dbraw/zinc/16/11/76/516161176.db2.gz AWPFPCBKZBDTEA-QXSWTLKVSA-N 1 2 350.440 2.673 20 30 FFEDLO C=CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000470170839 516161184 /nfs/dbraw/zinc/16/11/84/516161184.db2.gz AWPFPCBKZBDTEA-QXSWTLKVSA-N 1 2 350.440 2.673 20 30 FFEDLO C[C@@H](NC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1)c1ccc(F)cc1 ZINC000507297917 516161374 /nfs/dbraw/zinc/16/13/74/516161374.db2.gz RDPJAASISIJACA-MRXNPFEDSA-N 1 2 366.440 2.697 20 30 FFEDLO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000460594161 516198256 /nfs/dbraw/zinc/19/82/56/516198256.db2.gz DXXDIZOFCZMDOT-GOSISDBHSA-N 1 2 352.434 2.678 20 30 FFEDLO C=CCCCC(=O)N1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000501804867 516230200 /nfs/dbraw/zinc/23/02/00/516230200.db2.gz GCMODUGQXBTYDW-FQEVSTJZSA-N 1 2 369.509 2.678 20 30 FFEDLO N#Cc1cc(C(=O)NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)ccn1 ZINC000474914718 516232877 /nfs/dbraw/zinc/23/28/77/516232877.db2.gz YMDSMIDMCKZRBT-UHFFFAOYSA-N 1 2 369.428 2.841 20 30 FFEDLO COCCOc1ccccc1N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000484070696 516290791 /nfs/dbraw/zinc/29/07/91/516290791.db2.gz SNQAIXGKZHRCIQ-UHFFFAOYSA-N 1 2 350.462 2.886 20 30 FFEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000497600255 516327594 /nfs/dbraw/zinc/32/75/94/516327594.db2.gz WIZPFONFJPKWIX-UHFFFAOYSA-N 1 2 353.397 2.534 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000561007486 516333381 /nfs/dbraw/zinc/33/33/81/516333381.db2.gz HTIPLWQOUUNJDQ-QZTJIDSGSA-N 1 2 373.416 2.571 20 30 FFEDLO C=CCOc1ccc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000554253512 516345476 /nfs/dbraw/zinc/34/54/76/516345476.db2.gz JPAJHANNEQLERV-UHFFFAOYSA-N 1 2 352.438 2.678 20 30 FFEDLO Cc1c(C#N)cccc1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000513054739 516454703 /nfs/dbraw/zinc/45/47/03/516454703.db2.gz RRDMUKYZIMUCFQ-UHFFFAOYSA-N 1 2 366.440 2.558 20 30 FFEDLO C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@@H]3c3[nH]cc[nH+]3)cc2C1=O ZINC000523430431 516468368 /nfs/dbraw/zinc/46/83/68/516468368.db2.gz JOCDQJIDZJWBQA-MRXNPFEDSA-N 1 2 364.405 2.559 20 30 FFEDLO N#Cc1cc(F)c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c(F)c1 ZINC000528479568 516469560 /nfs/dbraw/zinc/46/95/60/516469560.db2.gz WTCVTMYMTIKPCJ-AWEZNQCLSA-N 1 2 369.437 2.522 20 30 FFEDLO N#Cc1cc(F)c(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)c(F)c1 ZINC000528479568 516469569 /nfs/dbraw/zinc/46/95/69/516469569.db2.gz WTCVTMYMTIKPCJ-AWEZNQCLSA-N 1 2 369.437 2.522 20 30 FFEDLO C=CCN(C(=O)c1ccc(-n2cc[nH+]c2)nn1)c1nc2c(s1)CCCC2 ZINC000531497622 516498397 /nfs/dbraw/zinc/49/83/97/516498397.db2.gz WMQPTDLHPQUQQS-UHFFFAOYSA-N 1 2 366.450 2.830 20 30 FFEDLO CC[N@H+](CC(=O)N1CCCCCC1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000513199966 516516344 /nfs/dbraw/zinc/51/63/44/516516344.db2.gz FBIPWXFFQMCMAO-INIZCTEOSA-N 1 2 356.470 2.610 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCCCCC1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000513199966 516516352 /nfs/dbraw/zinc/51/63/52/516516352.db2.gz FBIPWXFFQMCMAO-INIZCTEOSA-N 1 2 356.470 2.610 20 30 FFEDLO C=CC[C@H](CO)CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000540414716 516543982 /nfs/dbraw/zinc/54/39/82/516543982.db2.gz SCGFNSFOSRUTGD-HKUYNNGSSA-N 1 2 356.470 2.725 20 30 FFEDLO C=CC[N@@H+](CCN1CCOCC1)Cc1cc(Br)ccc1F ZINC000551054222 516544125 /nfs/dbraw/zinc/54/41/25/516544125.db2.gz XNXMYAJBBWWRQD-UHFFFAOYSA-N 1 2 357.267 2.908 20 30 FFEDLO C=CC[N@H+](CCN1CCOCC1)Cc1cc(Br)ccc1F ZINC000551054222 516544131 /nfs/dbraw/zinc/54/41/31/516544131.db2.gz XNXMYAJBBWWRQD-UHFFFAOYSA-N 1 2 357.267 2.908 20 30 FFEDLO C=CCN(CC[NH+]1CCOCC1)Cc1cc(Br)ccc1F ZINC000551054222 516544139 /nfs/dbraw/zinc/54/41/39/516544139.db2.gz XNXMYAJBBWWRQD-UHFFFAOYSA-N 1 2 357.267 2.908 20 30 FFEDLO C[NH+](C)[C@@H](CNC(=O)NCC#Cc1ccccc1)c1c(F)cccc1F ZINC000523788366 516580125 /nfs/dbraw/zinc/58/01/25/516580125.db2.gz UVXJEUFHSSEUQI-SFHVURJKSA-N 1 2 357.404 2.918 20 30 FFEDLO C=CCOc1ccccc1C[NH+]1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000513380794 516595983 /nfs/dbraw/zinc/59/59/83/516595983.db2.gz MDWHAZRPUBLSCK-SFHVURJKSA-N 1 2 371.525 2.816 20 30 FFEDLO C=CCOc1ccccc1CN1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000513380794 516595992 /nfs/dbraw/zinc/59/59/92/516595992.db2.gz MDWHAZRPUBLSCK-SFHVURJKSA-N 1 2 371.525 2.816 20 30 FFEDLO Cc1cc(NCCCc2nn(-c3ccccc3)c(N)c2C#N)nc(C2CC2)[nH+]1 ZINC000523873444 516599264 /nfs/dbraw/zinc/59/92/64/516599264.db2.gz CUULCFXEJIGSLA-UHFFFAOYSA-N 1 2 373.464 2.769 20 30 FFEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC=C(c4ccccc4)C3)C2=O)cc1 ZINC000551245112 516622825 /nfs/dbraw/zinc/62/28/25/516622825.db2.gz UFQZIHUWKMDZNG-FQEVSTJZSA-N 1 2 357.413 2.979 20 30 FFEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CCC=C(c4ccccc4)C3)C2=O)cc1 ZINC000551245112 516622833 /nfs/dbraw/zinc/62/28/33/516622833.db2.gz UFQZIHUWKMDZNG-FQEVSTJZSA-N 1 2 357.413 2.979 20 30 FFEDLO N#Cc1ccc(C2([NH2+]Cc3ncn(-c4ccccc4)n3)CCOCC2)cc1 ZINC000528779522 516689527 /nfs/dbraw/zinc/68/95/27/516689527.db2.gz VLGPKDWQAHEQCQ-UHFFFAOYSA-N 1 2 359.433 2.934 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000524453107 516725623 /nfs/dbraw/zinc/72/56/23/516725623.db2.gz LVANDWNEYZHJSL-GOSISDBHSA-N 1 2 366.446 2.668 20 30 FFEDLO Cc1ccc(C(C)(C)C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000561775557 516765868 /nfs/dbraw/zinc/76/58/68/516765868.db2.gz BRYOJTXTNMEOLG-UHFFFAOYSA-N 1 2 371.506 2.945 20 30 FFEDLO Cc1ccc(C(C)(C)C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000561775557 516765880 /nfs/dbraw/zinc/76/58/80/516765880.db2.gz BRYOJTXTNMEOLG-UHFFFAOYSA-N 1 2 371.506 2.945 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000519127401 516893140 /nfs/dbraw/zinc/89/31/40/516893140.db2.gz XMCCRANZHJOXDX-MRXNPFEDSA-N 1 2 366.889 2.844 20 30 FFEDLO C=C(CC)C[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000536905693 516975937 /nfs/dbraw/zinc/97/59/37/516975937.db2.gz VEXRBGUUOUUSSP-UHFFFAOYSA-N 1 2 373.316 2.722 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3cnn(Cc4ccccc4)c3)CC2)n1 ZINC000544934238 516992338 /nfs/dbraw/zinc/99/23/38/516992338.db2.gz ZGACLXDTZOEUQQ-UHFFFAOYSA-N 1 2 358.449 2.520 20 30 FFEDLO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000514714713 517020162 /nfs/dbraw/zinc/02/01/62/517020162.db2.gz CWOYALJHNWFXJB-OTWHNJEPSA-N 1 2 368.525 2.854 20 30 FFEDLO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000514714713 517020170 /nfs/dbraw/zinc/02/01/70/517020170.db2.gz CWOYALJHNWFXJB-OTWHNJEPSA-N 1 2 368.525 2.854 20 30 FFEDLO Cc1ncc(S(=O)(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)cc1C#N ZINC000555633934 517033223 /nfs/dbraw/zinc/03/32/23/517033223.db2.gz VXGHMXMLAVEXJC-UHFFFAOYSA-N 1 2 367.434 2.827 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)cc1 ZINC000514936969 517132971 /nfs/dbraw/zinc/13/29/71/517132971.db2.gz ZUBMJCVLLZETHM-QGZVFWFLSA-N 1 2 371.481 2.975 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)OC3(CCC3)C2)cc1 ZINC000514936969 517132978 /nfs/dbraw/zinc/13/29/78/517132978.db2.gz ZUBMJCVLLZETHM-QGZVFWFLSA-N 1 2 371.481 2.975 20 30 FFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000514972947 517147870 /nfs/dbraw/zinc/14/78/70/517147870.db2.gz RDHCZVCJZFTOLS-OAHLLOKOSA-N 1 2 365.474 2.528 20 30 FFEDLO N#CCCn1ncc(C(=O)NCCCCn2cc[nH+]c2)c1-c1ccccc1 ZINC000519799817 517187229 /nfs/dbraw/zinc/18/72/29/517187229.db2.gz JZLUELQTOGFGPA-UHFFFAOYSA-N 1 2 362.437 2.870 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C/C=C\c1ccc(F)cc1F ZINC000541773495 517208938 /nfs/dbraw/zinc/20/89/38/517208938.db2.gz ZJBMZTHKAQOTSF-PYLYLYNFSA-N 1 2 355.392 2.850 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C/C=C\c1ccc(F)cc1F ZINC000541773495 517208946 /nfs/dbraw/zinc/20/89/46/517208946.db2.gz ZJBMZTHKAQOTSF-PYLYLYNFSA-N 1 2 355.392 2.850 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000532945466 517216894 /nfs/dbraw/zinc/21/68/94/517216894.db2.gz TVADZMPNZWZGLJ-UHFFFAOYSA-N 1 2 364.449 2.539 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000541949328 517305659 /nfs/dbraw/zinc/30/56/59/517305659.db2.gz UEOVYXCBSSMAMB-UHFFFAOYSA-N 1 2 371.485 2.577 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]c(=O)c4ccccc34)CC2)cc1 ZINC000526045297 517312769 /nfs/dbraw/zinc/31/27/69/517312769.db2.gz SPUSWXRJBDYIQU-UHFFFAOYSA-N 1 2 372.428 2.770 20 30 FFEDLO COCC[N@H+](CCc1ccccc1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000533148057 517317086 /nfs/dbraw/zinc/31/70/86/517317086.db2.gz NORSKCIRHPMLFH-UHFFFAOYSA-N 1 2 372.490 2.523 20 30 FFEDLO COCC[N@@H+](CCc1ccccc1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000533148057 517317093 /nfs/dbraw/zinc/31/70/93/517317093.db2.gz NORSKCIRHPMLFH-UHFFFAOYSA-N 1 2 372.490 2.523 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000559578644 517323438 /nfs/dbraw/zinc/32/34/38/517323438.db2.gz ZGCBSZSYCXAAOL-ZDUSSCGKSA-N 1 2 367.521 2.797 20 30 FFEDLO CC(C)(CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000549081586 517386792 /nfs/dbraw/zinc/38/67/92/517386792.db2.gz CGNSTYOWVGFAKI-UHFFFAOYSA-N 1 2 368.403 2.974 20 30 FFEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000533346643 517418389 /nfs/dbraw/zinc/41/83/89/517418389.db2.gz FIDILZLPQFUKQK-INIZCTEOSA-N 1 2 357.454 2.941 20 30 FFEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000533346643 517418398 /nfs/dbraw/zinc/41/83/98/517418398.db2.gz FIDILZLPQFUKQK-INIZCTEOSA-N 1 2 357.454 2.941 20 30 FFEDLO CO[C@H](CN(CCC#N)CC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000549137010 517419756 /nfs/dbraw/zinc/41/97/56/517419756.db2.gz FGVZSFIIZDZRKJ-GOSISDBHSA-N 1 2 351.878 2.575 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000515655738 517439508 /nfs/dbraw/zinc/43/95/08/517439508.db2.gz OEZMLJJWUDYCEW-NRFANRHFSA-N 1 2 362.433 2.711 20 30 FFEDLO Cc1ncc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)n1-c1ccccc1 ZINC000546260149 517617774 /nfs/dbraw/zinc/61/77/74/517617774.db2.gz NXAOIBPYTQKXNX-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO Cc1[nH+]cc(CN2CCN(c3cccc(C#N)n3)CC2)n1-c1ccccc1 ZINC000546260149 517617784 /nfs/dbraw/zinc/61/77/84/517617784.db2.gz NXAOIBPYTQKXNX-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO Cc1nnc([C@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)o1 ZINC000542616538 517651652 /nfs/dbraw/zinc/65/16/52/517651652.db2.gz ATYYRJSHFIQJNV-RYUDHWBXSA-N 1 2 359.455 2.919 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000538663823 517708643 /nfs/dbraw/zinc/70/86/43/517708643.db2.gz GSYDQYYWXMOUPB-GDBMZVCRSA-N 1 2 373.526 2.957 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000538663823 517708651 /nfs/dbraw/zinc/70/86/51/517708651.db2.gz GSYDQYYWXMOUPB-GDBMZVCRSA-N 1 2 373.526 2.957 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000538663823 517708660 /nfs/dbraw/zinc/70/86/60/517708660.db2.gz GSYDQYYWXMOUPB-GDBMZVCRSA-N 1 2 373.526 2.957 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000538663823 517708673 /nfs/dbraw/zinc/70/86/73/517708673.db2.gz GSYDQYYWXMOUPB-GDBMZVCRSA-N 1 2 373.526 2.957 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000538663823 517708680 /nfs/dbraw/zinc/70/86/80/517708680.db2.gz GSYDQYYWXMOUPB-GDBMZVCRSA-N 1 2 373.526 2.957 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000538663823 517708690 /nfs/dbraw/zinc/70/86/90/517708690.db2.gz GSYDQYYWXMOUPB-GDBMZVCRSA-N 1 2 373.526 2.957 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2cccc(Br)c2C1 ZINC000530335547 517712650 /nfs/dbraw/zinc/71/26/50/517712650.db2.gz KBNVWMQZOXVOLD-GFCCVEGCSA-N 1 2 362.271 2.758 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2cccc(Br)c2C1 ZINC000530335547 517712658 /nfs/dbraw/zinc/71/26/58/517712658.db2.gz KBNVWMQZOXVOLD-GFCCVEGCSA-N 1 2 362.271 2.758 20 30 FFEDLO COc1c[nH+]c(N2CCC(CC#N)CC2)nc1N1CCC(CC#N)CC1 ZINC000553494830 517745736 /nfs/dbraw/zinc/74/57/36/517745736.db2.gz OZYPGWDREAIKDX-UHFFFAOYSA-N 1 2 354.458 2.745 20 30 FFEDLO COCCOc1ccccc1N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000538750627 517763485 /nfs/dbraw/zinc/76/34/85/517763485.db2.gz NNTGNJOTONGEGB-UHFFFAOYSA-N 1 2 357.479 2.967 20 30 FFEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000521653851 517814103 /nfs/dbraw/zinc/81/41/03/517814103.db2.gz CHPOZOTYMTZBMI-IBGZPJMESA-N 1 2 369.425 2.527 20 30 FFEDLO Cc1nc(CC2CC2)oc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000530506425 517818842 /nfs/dbraw/zinc/81/88/42/517818842.db2.gz WHWQLJUOXMYRKT-UHFFFAOYSA-N 1 2 364.449 2.765 20 30 FFEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546919904 517920534 /nfs/dbraw/zinc/92/05/34/517920534.db2.gz ZNCKEFCVMJSOKA-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000546918651 517920978 /nfs/dbraw/zinc/92/09/78/517920978.db2.gz SSOFRSUQFBIDCG-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000553883654 517950490 /nfs/dbraw/zinc/95/04/90/517950490.db2.gz FSTZQRMGWLPWIN-MRXNPFEDSA-N 1 2 362.271 2.908 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000553883654 517950499 /nfs/dbraw/zinc/95/04/99/517950499.db2.gz FSTZQRMGWLPWIN-MRXNPFEDSA-N 1 2 362.271 2.908 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(Cl)c(F)cc1Br ZINC000517153906 518043988 /nfs/dbraw/zinc/04/39/88/518043988.db2.gz KSNSDGOKMSOFLZ-CYBMUJFWSA-N 1 2 362.630 2.815 20 30 FFEDLO Cc1csc(C2([NH2+]CCS(=O)(=O)c3cccc(C#N)c3)CCC2)n1 ZINC000547298723 518064686 /nfs/dbraw/zinc/06/46/86/518064686.db2.gz KMWWMCJEEXWZCL-UHFFFAOYSA-N 1 2 361.492 2.766 20 30 FFEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000563737988 518099575 /nfs/dbraw/zinc/09/95/75/518099575.db2.gz JYKLKVJWUQKDKU-UHFFFAOYSA-N 1 2 374.444 2.703 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC3Cc4ccccc4C3)CC2)cc1 ZINC000522673092 518145319 /nfs/dbraw/zinc/14/53/19/518145319.db2.gz PPMGCWJDRKCDQA-UHFFFAOYSA-N 1 2 374.488 2.800 20 30 FFEDLO N#Cc1ccc2ncc(C[NH2+]Cc3nnc4ccc(C(F)(F)F)cn43)n2c1 ZINC000539712216 518146994 /nfs/dbraw/zinc/14/69/94/518146994.db2.gz KAXSZPPHTRBOCX-UHFFFAOYSA-N 1 2 371.326 2.557 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c1C#N ZINC000535206476 518165968 /nfs/dbraw/zinc/16/59/68/518165968.db2.gz NLIXOFSWFSYUFK-ZDUSSCGKSA-N 1 2 356.344 2.888 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c1C#N ZINC000535206476 518165969 /nfs/dbraw/zinc/16/59/69/518165969.db2.gz NLIXOFSWFSYUFK-ZDUSSCGKSA-N 1 2 356.344 2.888 20 30 FFEDLO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000581670240 518400037 /nfs/dbraw/zinc/40/00/37/518400037.db2.gz WJTFZHMWRDDOBB-UHFFFAOYSA-N 1 2 368.393 2.817 20 30 FFEDLO CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000581670240 518400044 /nfs/dbraw/zinc/40/00/44/518400044.db2.gz WJTFZHMWRDDOBB-UHFFFAOYSA-N 1 2 368.393 2.817 20 30 FFEDLO C[C@@H](CC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)n1cc[nH+]c1 ZINC000581729937 518428762 /nfs/dbraw/zinc/42/87/62/518428762.db2.gz PTAVQARNGYPIQU-AWEZNQCLSA-N 1 2 356.401 2.915 20 30 FFEDLO Cc1ccc(Nc2nc(N)nc(C[NH+]3CCC(CCC#N)CC3)n2)cc1 ZINC000576104585 518432003 /nfs/dbraw/zinc/43/20/03/518432003.db2.gz RVUZVUUJXPKFGB-UHFFFAOYSA-N 1 2 351.458 2.852 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3Cl)C2)nc1 ZINC000570113891 518446640 /nfs/dbraw/zinc/44/66/40/518446640.db2.gz FGOCRVDRBATOPX-AWEZNQCLSA-N 1 2 356.813 2.698 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3ccccc3Cl)C2)nc1 ZINC000570113891 518446648 /nfs/dbraw/zinc/44/66/48/518446648.db2.gz FGOCRVDRBATOPX-AWEZNQCLSA-N 1 2 356.813 2.698 20 30 FFEDLO C=CCn1cccc1C(=O)N1CCCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000570227482 518505025 /nfs/dbraw/zinc/50/50/25/518505025.db2.gz DEYWIKCWZFYZRJ-UHFFFAOYSA-N 1 2 355.486 2.800 20 30 FFEDLO C=CCn1cccc1C(=O)N1CCC[N@@H+](Cc2nccn2C(C)C)CC1 ZINC000570227482 518505029 /nfs/dbraw/zinc/50/50/29/518505029.db2.gz DEYWIKCWZFYZRJ-UHFFFAOYSA-N 1 2 355.486 2.800 20 30 FFEDLO C=CCn1cccc1C(=O)N1CCC[N@H+](Cc2nccn2C(C)C)CC1 ZINC000570227482 518505038 /nfs/dbraw/zinc/50/50/38/518505038.db2.gz DEYWIKCWZFYZRJ-UHFFFAOYSA-N 1 2 355.486 2.800 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1 ZINC000570380077 518577323 /nfs/dbraw/zinc/57/73/23/518577323.db2.gz RCMSPHJKVAMIIJ-MRXNPFEDSA-N 1 2 354.385 2.574 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1 ZINC000570380077 518577328 /nfs/dbraw/zinc/57/73/28/518577328.db2.gz RCMSPHJKVAMIIJ-MRXNPFEDSA-N 1 2 354.385 2.574 20 30 FFEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000585735219 518580140 /nfs/dbraw/zinc/58/01/40/518580140.db2.gz JVBFEAZRGDKZCQ-UHFFFAOYSA-N 1 2 367.424 2.972 20 30 FFEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1F ZINC000567562719 518585373 /nfs/dbraw/zinc/58/53/73/518585373.db2.gz QUMIKESUQNCMAC-UHFFFAOYSA-N 1 2 358.442 2.786 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3ccn(CCc4ccccc4)n3)CC2)n1 ZINC000573295033 518596536 /nfs/dbraw/zinc/59/65/36/518596536.db2.gz KGZUCPUQNXNUOY-UHFFFAOYSA-N 1 2 372.476 2.715 20 30 FFEDLO CCc1[nH+]c2ccccc2n1CCNC(=O)Cc1c(F)cccc1C#N ZINC000586785464 518641382 /nfs/dbraw/zinc/64/13/82/518641382.db2.gz RENMGSYTWSDQRJ-UHFFFAOYSA-N 1 2 350.397 2.968 20 30 FFEDLO C=CCn1c(-c2scnc2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000582301206 518688546 /nfs/dbraw/zinc/68/85/46/518688546.db2.gz XJZMEFUUAXKCAK-UHFFFAOYSA-N 1 2 367.482 2.618 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1 ZINC000570727426 518752086 /nfs/dbraw/zinc/75/20/86/518752086.db2.gz CRMDGQBPZRNYPS-OAQYLSRUSA-N 1 2 365.477 2.596 20 30 FFEDLO N#Cc1ccc(CC(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)cc1 ZINC000576773476 518756728 /nfs/dbraw/zinc/75/67/28/518756728.db2.gz QDLLYFDZLXKHNJ-UHFFFAOYSA-N 1 2 374.366 2.863 20 30 FFEDLO Cn1c[nH+]cc1CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000582514634 518789049 /nfs/dbraw/zinc/78/90/49/518789049.db2.gz NGAHQSXIDKHTLX-UHFFFAOYSA-N 1 2 352.423 2.661 20 30 FFEDLO CC1(C)C[N@@H+]([C@H](CNc2ccnc(C#N)n2)c2ccc(Cl)cc2)CCO1 ZINC000565220279 518849060 /nfs/dbraw/zinc/84/90/60/518849060.db2.gz DJYQXXWFEZUCAK-MRXNPFEDSA-N 1 2 371.872 2.688 20 30 FFEDLO CC1(C)C[N@H+]([C@H](CNc2ccnc(C#N)n2)c2ccc(Cl)cc2)CCO1 ZINC000565220279 518849065 /nfs/dbraw/zinc/84/90/65/518849065.db2.gz DJYQXXWFEZUCAK-MRXNPFEDSA-N 1 2 371.872 2.688 20 30 FFEDLO COc1c(C)[nH+]c(C2CC2)nc1NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC000565230783 518854989 /nfs/dbraw/zinc/85/49/89/518854989.db2.gz WAPUXZVHPSHCQK-UHFFFAOYSA-N 1 2 360.421 2.967 20 30 FFEDLO C=CC[N@H+](Cc1nc(C#N)cs1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000571012625 518883142 /nfs/dbraw/zinc/88/31/42/518883142.db2.gz NTZGUYPXODRBJY-CYBMUJFWSA-N 1 2 351.439 2.740 20 30 FFEDLO C=CC[N@@H+](Cc1nc(C#N)cs1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000571012625 518883146 /nfs/dbraw/zinc/88/31/46/518883146.db2.gz NTZGUYPXODRBJY-CYBMUJFWSA-N 1 2 351.439 2.740 20 30 FFEDLO N#Cc1cc(O)cc(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000589179920 518942674 /nfs/dbraw/zinc/94/26/74/518942674.db2.gz ITFFUZOQVXAHSM-HNNXBMFYSA-N 1 2 371.387 2.936 20 30 FFEDLO N#Cc1cc(O)cc(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000589179920 518942679 /nfs/dbraw/zinc/94/26/79/518942679.db2.gz ITFFUZOQVXAHSM-HNNXBMFYSA-N 1 2 371.387 2.936 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000571217122 518983849 /nfs/dbraw/zinc/98/38/49/518983849.db2.gz UCCMOGGIAWTKCJ-CQSZACIVSA-N 1 2 358.385 2.752 20 30 FFEDLO C=CC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000571217122 518983855 /nfs/dbraw/zinc/98/38/55/518983855.db2.gz UCCMOGGIAWTKCJ-CQSZACIVSA-N 1 2 358.385 2.752 20 30 FFEDLO N#Cc1cccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)n1 ZINC000589387513 518992237 /nfs/dbraw/zinc/99/22/37/518992237.db2.gz DAURWIKZCPMAQA-UHFFFAOYSA-N 1 2 371.404 2.842 20 30 FFEDLO N#Cc1cnn2cc(C[NH+]3CCN(c4ccc(Cl)cc4)CC3)cnc12 ZINC000568395108 519018422 /nfs/dbraw/zinc/01/84/22/519018422.db2.gz QYATYYCATFAESH-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCCCc2ccccc2)c1=O ZINC000568533870 519089328 /nfs/dbraw/zinc/08/93/28/519089328.db2.gz YSLLIRLUZXGVJI-UHFFFAOYSA-N 1 2 351.450 2.575 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000571428645 519092252 /nfs/dbraw/zinc/09/22/52/519092252.db2.gz ZPZUOLVIIUCJNG-VQIMIIECSA-N 1 2 364.486 2.566 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000571428645 519092258 /nfs/dbraw/zinc/09/22/58/519092258.db2.gz ZPZUOLVIIUCJNG-VQIMIIECSA-N 1 2 364.486 2.566 20 30 FFEDLO C=CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000571450821 519102085 /nfs/dbraw/zinc/10/20/85/519102085.db2.gz XEYUUSQWVVUYJS-JKSUJKDBSA-N 1 2 365.441 2.586 20 30 FFEDLO CCc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)cc1 ZINC000577575411 519145798 /nfs/dbraw/zinc/14/57/98/519145798.db2.gz NIZXHRLNCNKEFW-INIZCTEOSA-N 1 2 363.465 2.665 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000574447888 519160255 /nfs/dbraw/zinc/16/02/55/519160255.db2.gz LVDHYYCWDHJXML-XIRDDKMYSA-N 1 2 358.417 2.539 20 30 FFEDLO CCc1ccc(C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C2CC2)cc1 ZINC000583463425 519260180 /nfs/dbraw/zinc/26/01/80/519260180.db2.gz ARWLAUUWLISLSB-UHFFFAOYSA-N 1 2 369.490 2.954 20 30 FFEDLO CCc1ccc(C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C2CC2)cc1 ZINC000583463425 519260188 /nfs/dbraw/zinc/26/01/88/519260188.db2.gz ARWLAUUWLISLSB-UHFFFAOYSA-N 1 2 369.490 2.954 20 30 FFEDLO N#Cc1cc(Br)ccc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590629385 519294504 /nfs/dbraw/zinc/29/45/04/519294504.db2.gz XIFZZCLSNRMPJU-AWEZNQCLSA-N 1 2 359.227 2.995 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1C#N ZINC000590762775 519356711 /nfs/dbraw/zinc/35/67/11/519356711.db2.gz UZKZZIHITXRZSJ-SUMWQHHRSA-N 1 2 364.371 2.798 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1C#N ZINC000590762775 519356720 /nfs/dbraw/zinc/35/67/20/519356720.db2.gz UZKZZIHITXRZSJ-SUMWQHHRSA-N 1 2 364.371 2.798 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)c(OC(F)F)c1 ZINC000571946035 519358009 /nfs/dbraw/zinc/35/80/09/519358009.db2.gz VRSHRJJUJYUVJJ-BBWFWOEESA-N 1 2 366.408 2.912 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)c(OC(F)F)c1 ZINC000571946035 519358013 /nfs/dbraw/zinc/35/80/13/519358013.db2.gz VRSHRJJUJYUVJJ-BBWFWOEESA-N 1 2 366.408 2.912 20 30 FFEDLO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000569107218 519380223 /nfs/dbraw/zinc/38/02/23/519380223.db2.gz XFZCVKOHMZXFBO-RHSMWYFYSA-N 1 2 366.303 2.978 20 30 FFEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc(Cl)c1Br ZINC000566309352 519426730 /nfs/dbraw/zinc/42/67/30/519426730.db2.gz OFOIWMKISGZORE-AWEZNQCLSA-N 1 2 358.667 2.985 20 30 FFEDLO Cc1cc(C[N@@H+](C)CC(=O)Nc2nnc(CC(C)C)s2)ccc1C#N ZINC000583781496 519429627 /nfs/dbraw/zinc/42/96/27/519429627.db2.gz MMWGYRMROBAILJ-UHFFFAOYSA-N 1 2 357.483 2.987 20 30 FFEDLO Cc1cc(C[N@H+](C)CC(=O)Nc2nnc(CC(C)C)s2)ccc1C#N ZINC000583781496 519429635 /nfs/dbraw/zinc/42/96/35/519429635.db2.gz MMWGYRMROBAILJ-UHFFFAOYSA-N 1 2 357.483 2.987 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H](N2CCC(Nc3cccc[nH+]3)CC2)C1=O ZINC000572123057 519456185 /nfs/dbraw/zinc/45/61/85/519456185.db2.gz GPQVUZDLIGQLHY-INIZCTEOSA-N 1 2 367.478 2.697 20 30 FFEDLO CN1C(=O)C[C@@H]([NH2+]Cc2nc(C#N)cs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000583841891 519459963 /nfs/dbraw/zinc/45/99/63/519459963.db2.gz QJQOQCXZCMFMHG-CJNGLKHVSA-N 1 2 364.833 2.869 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000580985770 519460815 /nfs/dbraw/zinc/46/08/15/519460815.db2.gz XUANJEGTDADLOQ-HNNXBMFYSA-N 1 2 353.466 2.971 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000580985770 519460822 /nfs/dbraw/zinc/46/08/22/519460822.db2.gz XUANJEGTDADLOQ-HNNXBMFYSA-N 1 2 353.466 2.971 20 30 FFEDLO COCC[N@H+](Cc1ccnn1C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000581223816 519583809 /nfs/dbraw/zinc/58/38/09/519583809.db2.gz VBXUMCZULRKPOK-UHFFFAOYSA-N 1 2 352.360 2.959 20 30 FFEDLO COCC[N@@H+](Cc1ccnn1C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000581223816 519583813 /nfs/dbraw/zinc/58/38/13/519583813.db2.gz VBXUMCZULRKPOK-UHFFFAOYSA-N 1 2 352.360 2.959 20 30 FFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000591334988 519595397 /nfs/dbraw/zinc/59/53/97/519595397.db2.gz BRPGVGUZZIUWBQ-IEBWSBKVSA-N 1 2 361.449 2.909 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC(CCC#N)CC1)C1CCOCC1 ZINC000584109750 519596255 /nfs/dbraw/zinc/59/62/55/519596255.db2.gz CSIMUKDMLPBJEV-QGZVFWFLSA-N 1 2 359.474 2.613 20 30 FFEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC000591458167 519628771 /nfs/dbraw/zinc/62/87/71/519628771.db2.gz CJXQTAYKKCUUMY-CYBMUJFWSA-N 1 2 350.451 2.841 20 30 FFEDLO CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857753 519928475 /nfs/dbraw/zinc/92/84/75/519928475.db2.gz USHCOHBMSKPEFF-OALUTQOASA-N 1 2 356.514 2.652 20 30 FFEDLO CC(C)[C@@H](NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc(F)cc1 ZINC000602856529 519929820 /nfs/dbraw/zinc/92/98/20/519929820.db2.gz KFBGYMSSNIQFNE-GQIGUUNPSA-N 1 2 360.477 2.557 20 30 FFEDLO CC(C)[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc(F)cc1 ZINC000602856529 519929828 /nfs/dbraw/zinc/92/98/28/519929828.db2.gz KFBGYMSSNIQFNE-GQIGUUNPSA-N 1 2 360.477 2.557 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C[C@H](C)N1CC#N ZINC000602858876 519931671 /nfs/dbraw/zinc/93/16/71/519931671.db2.gz CIFPYBGJQYRKTD-SVMVAKDDSA-N 1 2 368.525 2.952 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C[C@H](C)N1CC#N ZINC000602858876 519931676 /nfs/dbraw/zinc/93/16/76/519931676.db2.gz CIFPYBGJQYRKTD-SVMVAKDDSA-N 1 2 368.525 2.952 20 30 FFEDLO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602859404 519932045 /nfs/dbraw/zinc/93/20/45/519932045.db2.gz YBVQMONWAHKBGE-VVLHAWIVSA-N 1 2 368.481 2.917 20 30 FFEDLO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602859404 519932058 /nfs/dbraw/zinc/93/20/58/519932058.db2.gz YBVQMONWAHKBGE-VVLHAWIVSA-N 1 2 368.481 2.917 20 30 FFEDLO COc1ccc(-c2noc([C@H](C)[NH+]3C[C@@H](C)N(CC#N)[C@H](C)C3)n2)cc1 ZINC000602866192 519935032 /nfs/dbraw/zinc/93/50/32/519935032.db2.gz VCAUDMITRIFYOI-KFWWJZLASA-N 1 2 355.442 2.724 20 30 FFEDLO N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000594443135 519968969 /nfs/dbraw/zinc/96/89/69/519968969.db2.gz LXMIOZKSHKVLBT-HOTGVXAUSA-N 1 2 352.442 2.546 20 30 FFEDLO CC1CC(n2nnc3c2C[N@H+](CCCOc2cccc(C#N)c2)CC3)C1 ZINC000602986960 520007842 /nfs/dbraw/zinc/00/78/42/520007842.db2.gz WLCLWVWLZRUDNU-UHFFFAOYSA-N 1 2 351.454 2.948 20 30 FFEDLO CC1CC(n2nnc3c2C[N@@H+](CCCOc2cccc(C#N)c2)CC3)C1 ZINC000602986960 520007851 /nfs/dbraw/zinc/00/78/51/520007851.db2.gz WLCLWVWLZRUDNU-UHFFFAOYSA-N 1 2 351.454 2.948 20 30 FFEDLO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2ccc(C#N)cc2C)n1 ZINC000594582652 520038010 /nfs/dbraw/zinc/03/80/10/520038010.db2.gz RHZCQRHQBNMIHY-UHFFFAOYSA-N 1 2 364.496 2.966 20 30 FFEDLO N#CCCN(CCc1cccc(C(F)(F)F)c1)CC[NH+]1CCOCC1 ZINC000600106503 520049862 /nfs/dbraw/zinc/04/98/62/520049862.db2.gz JWGIVSJSOGOSRI-UHFFFAOYSA-N 1 2 355.404 2.796 20 30 FFEDLO N#CCC[N@@H+](CCc1cccc(C(F)(F)F)c1)CCN1CCOCC1 ZINC000600106503 520049867 /nfs/dbraw/zinc/04/98/67/520049867.db2.gz JWGIVSJSOGOSRI-UHFFFAOYSA-N 1 2 355.404 2.796 20 30 FFEDLO N#CCC[N@H+](CCc1cccc(C(F)(F)F)c1)CCN1CCOCC1 ZINC000600106503 520049873 /nfs/dbraw/zinc/04/98/73/520049873.db2.gz JWGIVSJSOGOSRI-UHFFFAOYSA-N 1 2 355.404 2.796 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)Nc3cc(F)cc(C#N)c3)c[nH+]2)CCO1 ZINC000603080024 520067159 /nfs/dbraw/zinc/06/71/59/520067159.db2.gz HGJNQSOBFDOPLS-ZDUSSCGKSA-N 1 2 369.400 2.639 20 30 FFEDLO Cc1nc(N2CCN(c3c(C#N)cnc4c(F)ccc(F)c43)CC2)cc[nH+]1 ZINC000612663967 520077166 /nfs/dbraw/zinc/07/71/66/520077166.db2.gz PJAJCHZWTICPIR-UHFFFAOYSA-N 1 2 366.375 2.810 20 30 FFEDLO Cn1cc[nH+]c1C[C@H](NS(=O)(=O)CC1(C#N)CCCC1)c1ccccc1 ZINC000612677010 520083936 /nfs/dbraw/zinc/08/39/36/520083936.db2.gz VTYJKGTZMGACEU-KRWDZBQOSA-N 1 2 372.494 2.707 20 30 FFEDLO Cc1cc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)ncc1C#N ZINC000603112085 520085698 /nfs/dbraw/zinc/08/56/98/520085698.db2.gz HVNNNFLXDMKXTF-CQSZACIVSA-N 1 2 355.467 2.656 20 30 FFEDLO CCOC(=O)c1cccc(C[NH+]2CCN(c3ccsc3C#N)CC2)n1 ZINC000600179783 520104502 /nfs/dbraw/zinc/10/45/02/520104502.db2.gz WCEGIGXMBUCFLS-UHFFFAOYSA-N 1 2 356.451 2.514 20 30 FFEDLO CC[N@@H+]1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)[C@H](C)C1 ZINC000594778309 520153171 /nfs/dbraw/zinc/15/31/71/520153171.db2.gz LRZKKBDNCLDXDT-GFCCVEGCSA-N 1 2 363.508 2.796 20 30 FFEDLO CC[N@H+]1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)[C@H](C)C1 ZINC000594778309 520153175 /nfs/dbraw/zinc/15/31/75/520153175.db2.gz LRZKKBDNCLDXDT-GFCCVEGCSA-N 1 2 363.508 2.796 20 30 FFEDLO N#Cc1cccc(OCc2cn(Cc3[nH+]ccn3CC(F)(F)F)nn2)c1 ZINC000603217064 520164040 /nfs/dbraw/zinc/16/40/40/520164040.db2.gz YLRQZSIUXOPNLM-UHFFFAOYSA-N 1 2 362.315 2.536 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c1 ZINC000592131232 520208388 /nfs/dbraw/zinc/20/83/88/520208388.db2.gz VGBOIRRFVVGWCP-ZDUSSCGKSA-N 1 2 356.214 2.846 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)c1 ZINC000592131232 520208396 /nfs/dbraw/zinc/20/83/96/520208396.db2.gz VGBOIRRFVVGWCP-ZDUSSCGKSA-N 1 2 356.214 2.846 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCCC3)c(C#N)c1C ZINC000613062638 520296600 /nfs/dbraw/zinc/29/66/00/520296600.db2.gz HVOJJWVZTADPII-CHWSQXEVSA-N 1 2 370.457 2.764 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000609485994 520328560 /nfs/dbraw/zinc/32/85/60/520328560.db2.gz BJNPAASLFQQUCA-QAPCUYQASA-N 1 2 362.905 2.510 20 30 FFEDLO Cc1cccc(N2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)c1C ZINC000603629097 520331108 /nfs/dbraw/zinc/33/11/08/520331108.db2.gz NTYYPHBIXHFNCM-UHFFFAOYSA-N 1 2 362.477 2.614 20 30 FFEDLO C[C@]1(C#N)CCN(C(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000595207379 520350094 /nfs/dbraw/zinc/35/00/94/520350094.db2.gz HWQVMSFOEXRUEU-LJQANCHMSA-N 1 2 350.378 2.575 20 30 FFEDLO C[C@]1(C#N)CCN(C(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000595208369 520351474 /nfs/dbraw/zinc/35/14/74/520351474.db2.gz RZIRELOUOJKKLZ-LJQANCHMSA-N 1 2 350.378 2.575 20 30 FFEDLO N#CCC1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000598032851 520385974 /nfs/dbraw/zinc/38/59/74/520385974.db2.gz IJGJWXYLAIVBOV-MRXNPFEDSA-N 1 2 362.271 2.958 20 30 FFEDLO CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000595333042 520413700 /nfs/dbraw/zinc/41/37/00/520413700.db2.gz IUBVMXJBXZOEOX-UXHICEINSA-N 1 2 369.490 2.866 20 30 FFEDLO CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000595333042 520413707 /nfs/dbraw/zinc/41/37/07/520413707.db2.gz IUBVMXJBXZOEOX-UXHICEINSA-N 1 2 369.490 2.866 20 30 FFEDLO Cc1ccccc1-n1cc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)cn1 ZINC000592506313 520426423 /nfs/dbraw/zinc/42/64/23/520426423.db2.gz NTLSOUUOEQICGS-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO N#Cc1ccc(CCNC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000595454564 520481458 /nfs/dbraw/zinc/48/14/58/520481458.db2.gz IVIVGRLDLRYVFA-UHFFFAOYSA-N 1 2 363.465 2.985 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@H](CC#N)C3)c[nH+]2)C[C@@H](C)O1 ZINC000595456028 520483637 /nfs/dbraw/zinc/48/36/37/520483637.db2.gz REHSRYXEQKMGFY-BRWVUGGUSA-N 1 2 371.485 2.530 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCn2c[nH+]cc2C1 ZINC000595491584 520505960 /nfs/dbraw/zinc/50/59/60/520505960.db2.gz RTKRFBYIZWEBOP-CQSZACIVSA-N 1 2 355.467 2.589 20 30 FFEDLO N#CC[C@H]1CCCN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000595538905 520536570 /nfs/dbraw/zinc/53/65/70/520536570.db2.gz WPEXUGONYFWUOW-GOSISDBHSA-N 1 2 351.454 2.961 20 30 FFEDLO CSc1cccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000592747408 520555463 /nfs/dbraw/zinc/55/54/63/520555463.db2.gz YSODEELEHLWGIY-UHFFFAOYSA-N 1 2 352.463 2.633 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595609770 520589366 /nfs/dbraw/zinc/58/93/66/520589366.db2.gz OWINUBJMCCEMMN-QGZVFWFLSA-N 1 2 354.454 2.958 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595609770 520589372 /nfs/dbraw/zinc/58/93/72/520589372.db2.gz OWINUBJMCCEMMN-QGZVFWFLSA-N 1 2 354.454 2.958 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595610935 520591875 /nfs/dbraw/zinc/59/18/75/520591875.db2.gz DFMFFXKYYBTTJF-QGZVFWFLSA-N 1 2 371.485 2.577 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595610935 520591883 /nfs/dbraw/zinc/59/18/83/520591883.db2.gz DFMFFXKYYBTTJF-QGZVFWFLSA-N 1 2 371.485 2.577 20 30 FFEDLO Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632797 520608789 /nfs/dbraw/zinc/60/87/89/520608789.db2.gz QRLJKEIXXVEFGK-INIZCTEOSA-N 1 2 368.506 2.755 20 30 FFEDLO N#Cc1sccc1N1CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000595633086 520609217 /nfs/dbraw/zinc/60/92/17/520609217.db2.gz LPEPQQBIDWHCMQ-DLBZAZTESA-N 1 2 372.538 2.923 20 30 FFEDLO C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632373 520610000 /nfs/dbraw/zinc/61/00/00/520610000.db2.gz OCNSGBALPBPMOU-INIZCTEOSA-N 1 2 368.506 2.789 20 30 FFEDLO COc1cc(CNC(=O)NCc2ccc[nH+]c2N2CCCC2)ccc1C#N ZINC000595634209 520611360 /nfs/dbraw/zinc/61/13/60/520611360.db2.gz GEBKXJFSZWFNFS-UHFFFAOYSA-N 1 2 365.437 2.561 20 30 FFEDLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633094 520611549 /nfs/dbraw/zinc/61/15/49/520611549.db2.gz LYSKDRZXTXWLEO-HRCADAONSA-N 1 2 360.527 2.920 20 30 FFEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)[C@H]2CCCC[C@@H]12 ZINC000595737094 520687462 /nfs/dbraw/zinc/68/74/62/520687462.db2.gz OTTYKYSCVOHEDF-ZNMIVQPWSA-N 1 2 361.467 2.612 20 30 FFEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)[C@H]2CCCC[C@@H]12 ZINC000595737094 520687473 /nfs/dbraw/zinc/68/74/73/520687473.db2.gz OTTYKYSCVOHEDF-ZNMIVQPWSA-N 1 2 361.467 2.612 20 30 FFEDLO COc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)cc1C#N ZINC000593041323 520701941 /nfs/dbraw/zinc/70/19/41/520701941.db2.gz QZZACRLPCSVYLL-HXUWFJFHSA-N 1 2 361.445 2.772 20 30 FFEDLO COc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)cc1C#N ZINC000593041323 520701950 /nfs/dbraw/zinc/70/19/50/520701950.db2.gz QZZACRLPCSVYLL-HXUWFJFHSA-N 1 2 361.445 2.772 20 30 FFEDLO CCOC(=O)c1c(C)onc1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595769816 520710736 /nfs/dbraw/zinc/71/07/36/520710736.db2.gz SQVDXJCUFAJVIY-UHFFFAOYSA-N 1 2 369.421 2.827 20 30 FFEDLO CC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1nnc2n1CCCCC2 ZINC000595799642 520733410 /nfs/dbraw/zinc/73/34/10/520733410.db2.gz NTMMBVZKJMFSJC-QGZVFWFLSA-N 1 2 367.453 2.904 20 30 FFEDLO C[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1[nH+]ccn1C ZINC000595846144 520760926 /nfs/dbraw/zinc/76/09/26/520760926.db2.gz VKQLPCYSQZVULU-CQSZACIVSA-N 1 2 353.426 2.606 20 30 FFEDLO N#CCC1(CS(=O)(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)CC1 ZINC000601457356 520795881 /nfs/dbraw/zinc/79/58/81/520795881.db2.gz RCLMCMAOOBCCQI-UHFFFAOYSA-N 1 2 372.494 2.841 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCCOC[C@@H]2C)c1C#N ZINC000610990736 520933126 /nfs/dbraw/zinc/93/31/26/520933126.db2.gz KXKBYFZLQPXWAO-AWEZNQCLSA-N 1 2 370.453 2.667 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCCOC[C@@H]2C)c1C#N ZINC000610990736 520933134 /nfs/dbraw/zinc/93/31/34/520933134.db2.gz KXKBYFZLQPXWAO-AWEZNQCLSA-N 1 2 370.453 2.667 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1Br ZINC000611012891 520946433 /nfs/dbraw/zinc/94/64/33/520946433.db2.gz FAQWTCMHDZCBFJ-ABAIWWIYSA-N 1 2 359.227 2.589 20 30 FFEDLO CCc1nc(C#N)cc(NCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000596193069 520962063 /nfs/dbraw/zinc/96/20/63/520962063.db2.gz ZQWMLHJVNBSLSZ-UHFFFAOYSA-N 1 2 371.242 2.663 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000601967955 521046200 /nfs/dbraw/zinc/04/62/00/521046200.db2.gz KBSXYZDQFKOWBF-CYBMUJFWSA-N 1 2 372.475 2.571 20 30 FFEDLO Cn1nc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c2ccccc21 ZINC000611260328 521063717 /nfs/dbraw/zinc/06/37/17/521063717.db2.gz SUEJNQDWUKGDBC-UHFFFAOYSA-N 1 2 362.437 2.633 20 30 FFEDLO COc1ccc(CN2CC[C@H]([NH2+]Cc3cccc(F)c3C#N)C2=O)cc1 ZINC000602009665 521075068 /nfs/dbraw/zinc/07/50/68/521075068.db2.gz ZTBBUDFPGQBIIB-IBGZPJMESA-N 1 2 353.397 2.597 20 30 FFEDLO Cc1cccc2c1ncc(C#N)c2NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000599183718 521075742 /nfs/dbraw/zinc/07/57/42/521075742.db2.gz RKPGKFIZPYHCLR-IBGZPJMESA-N 1 2 373.460 2.545 20 30 FFEDLO Cc1cccc2c1ncc(C#N)c2NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000599183718 521075752 /nfs/dbraw/zinc/07/57/52/521075752.db2.gz RKPGKFIZPYHCLR-IBGZPJMESA-N 1 2 373.460 2.545 20 30 FFEDLO CC(C)C[C@@H](C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)n1cc[nH+]c1 ZINC000602039606 521094736 /nfs/dbraw/zinc/09/47/36/521094736.db2.gz FTYFFXNZIGWCHX-VQTJNVASSA-N 1 2 365.481 2.879 20 30 FFEDLO CC(C)C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000599252119 521109936 /nfs/dbraw/zinc/10/99/36/521109936.db2.gz MBKZLCJYDCRFJZ-KRWDZBQOSA-N 1 2 358.486 2.832 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+](CCC(N)=O)Cc2ccccc2)c1C#N ZINC000611348008 521111556 /nfs/dbraw/zinc/11/15/56/521111556.db2.gz OICZAPDJNSTJSG-UHFFFAOYSA-N 1 2 373.460 2.930 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](CCC(N)=O)Cc2ccccc2)c1C#N ZINC000611348008 521111563 /nfs/dbraw/zinc/11/15/63/521111563.db2.gz OICZAPDJNSTJSG-UHFFFAOYSA-N 1 2 373.460 2.930 20 30 FFEDLO CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000599266072 521118796 /nfs/dbraw/zinc/11/87/96/521118796.db2.gz MVVJGOXWDDVFTM-QGZVFWFLSA-N 1 2 358.486 2.832 20 30 FFEDLO CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000599268488 521119338 /nfs/dbraw/zinc/11/93/38/521119338.db2.gz DYXBQCDZNNGCQQ-QGZVFWFLSA-N 1 2 358.486 2.832 20 30 FFEDLO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1noc(-c2ccccc2)n1 ZINC000599361355 521174952 /nfs/dbraw/zinc/17/49/52/521174952.db2.gz CUMSIAPZJMVFSK-WMLDXEAASA-N 1 2 364.405 2.699 20 30 FFEDLO C[C@H](C#N)CNC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000611635071 521259924 /nfs/dbraw/zinc/25/99/24/521259924.db2.gz NHMJFZZDCJKLSS-CYBMUJFWSA-N 1 2 354.376 2.692 20 30 FFEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000611641219 521261527 /nfs/dbraw/zinc/26/15/27/521261527.db2.gz BSVJNCXDXPCMEO-LJQANCHMSA-N 1 2 372.513 2.617 20 30 FFEDLO Cc1nc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)c2c([nH+]1)CCCC2 ZINC000611702457 521287000 /nfs/dbraw/zinc/28/70/00/521287000.db2.gz NBAQUKFRRMWREX-UHFFFAOYSA-N 1 2 364.453 2.728 20 30 FFEDLO N#CC1(CNC(=O)NCCNc2ccc3ccccc3[nH+]2)CCCCC1 ZINC000596858717 521335602 /nfs/dbraw/zinc/33/56/02/521335602.db2.gz ACYSHBRTJOYWEE-UHFFFAOYSA-N 1 2 351.454 2.842 20 30 FFEDLO N#Cc1ccc2c(c1)CN(C(=O)Nc1ccccc1C[NH+]1CCOCC1)C2 ZINC000594064461 521383098 /nfs/dbraw/zinc/38/30/98/521383098.db2.gz QOKADVBMPPIRPT-UHFFFAOYSA-N 1 2 362.433 2.938 20 30 FFEDLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)Cc2ccccc21 ZINC000599671509 521385243 /nfs/dbraw/zinc/38/52/43/521385243.db2.gz ZHLNIFIKDDPUGD-KBXCAEBGSA-N 1 2 363.417 2.658 20 30 FFEDLO COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)Cc2ccccc21 ZINC000599671509 521385254 /nfs/dbraw/zinc/38/52/54/521385254.db2.gz ZHLNIFIKDDPUGD-KBXCAEBGSA-N 1 2 363.417 2.658 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+]([C@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000599677548 521392468 /nfs/dbraw/zinc/39/24/68/521392468.db2.gz LJVMWPRDBXUVQD-SFHVURJKSA-N 1 2 362.458 2.849 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+]([C@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000599677548 521392474 /nfs/dbraw/zinc/39/24/74/521392474.db2.gz LJVMWPRDBXUVQD-SFHVURJKSA-N 1 2 362.458 2.849 20 30 FFEDLO COCC[N@H+](Cc1c(C(F)(F)F)cnn1C)Cc1ccc(C#N)cc1 ZINC000596983871 521423734 /nfs/dbraw/zinc/42/37/34/521423734.db2.gz IICSTMDSXIPDJV-UHFFFAOYSA-N 1 2 352.360 2.959 20 30 FFEDLO COCC[N@@H+](Cc1c(C(F)(F)F)cnn1C)Cc1ccc(C#N)cc1 ZINC000596983871 521423742 /nfs/dbraw/zinc/42/37/42/521423742.db2.gz IICSTMDSXIPDJV-UHFFFAOYSA-N 1 2 352.360 2.959 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CC[C@@](F)(C#N)C2)C[C@H](C)O1 ZINC000615531582 521431594 /nfs/dbraw/zinc/43/15/94/521431594.db2.gz QBCPNRNMCRSOJF-ZRGWGRIASA-N 1 2 360.433 2.765 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CC[C@@](F)(C#N)C2)C[C@H](C)O1 ZINC000615531582 521431614 /nfs/dbraw/zinc/43/16/14/521431614.db2.gz QBCPNRNMCRSOJF-ZRGWGRIASA-N 1 2 360.433 2.765 20 30 FFEDLO Cc1c(Cl)cnc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)c1C#N ZINC000612070460 521467956 /nfs/dbraw/zinc/46/79/56/521467956.db2.gz QTZXGFOXNYVBCW-CHWSQXEVSA-N 1 2 371.872 2.958 20 30 FFEDLO CCc1nnc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)s1 ZINC000612099010 521479838 /nfs/dbraw/zinc/47/98/38/521479838.db2.gz VEKHTCHIVRFOEB-UHFFFAOYSA-N 1 2 355.467 2.823 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@](C)(C#N)C3)c[nH+]2)C[C@H](C)O1 ZINC000612108436 521485056 /nfs/dbraw/zinc/48/50/56/521485056.db2.gz LTQGDBUVFYFAIF-GQIGUUNPSA-N 1 2 371.485 2.530 20 30 FFEDLO N#Cc1ccc(-c2cc(N3CC[NH+](Cc4ccns4)CC3)n[nH]2)cc1 ZINC000602711468 521489233 /nfs/dbraw/zinc/48/92/33/521489233.db2.gz YVHYTHBANDUPHQ-UHFFFAOYSA-N 1 2 350.451 2.727 20 30 FFEDLO C[C@]1(C#N)CCC[N@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000612166428 521515282 /nfs/dbraw/zinc/51/52/82/521515282.db2.gz UHUYPQGTCNUBGE-OAQYLSRUSA-N 1 2 355.482 2.820 20 30 FFEDLO C[C@]1(C#N)CCC[N@@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000612166428 521515290 /nfs/dbraw/zinc/51/52/90/521515290.db2.gz UHUYPQGTCNUBGE-OAQYLSRUSA-N 1 2 355.482 2.820 20 30 FFEDLO CC[N@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)CC1(CC#N)CC1 ZINC000602760882 521518015 /nfs/dbraw/zinc/51/80/15/521518015.db2.gz DPYSTXUOTAHSNT-UHFFFAOYSA-N 1 2 356.426 2.868 20 30 FFEDLO CC[N@@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)CC1(CC#N)CC1 ZINC000602760882 521518021 /nfs/dbraw/zinc/51/80/21/521518021.db2.gz DPYSTXUOTAHSNT-UHFFFAOYSA-N 1 2 356.426 2.868 20 30 FFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000594285824 521538717 /nfs/dbraw/zinc/53/87/17/521538717.db2.gz GJONCVWUQAQDDZ-QMTHXVAHSA-N 1 2 352.316 2.868 20 30 FFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000594285824 521538722 /nfs/dbraw/zinc/53/87/22/521538722.db2.gz GJONCVWUQAQDDZ-QMTHXVAHSA-N 1 2 352.316 2.868 20 30 FFEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000602819498 521551519 /nfs/dbraw/zinc/55/15/19/521551519.db2.gz DENQNYVQLSFACW-RBUKOAKNSA-N 1 2 372.900 2.676 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1cccc(CC#N)c1 ZINC000619529528 521753843 /nfs/dbraw/zinc/75/38/43/521753843.db2.gz UDDAIRGXPDBOAN-KRWDZBQOSA-N 1 2 358.467 2.885 20 30 FFEDLO N#Cc1ccccc1OCC(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000619777883 521867275 /nfs/dbraw/zinc/86/72/75/521867275.db2.gz FQSDJEDYZOREPG-QGZVFWFLSA-N 1 2 355.825 2.764 20 30 FFEDLO C=C(C)CN(CC)C(=O)CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000626074360 521910995 /nfs/dbraw/zinc/91/09/95/521910995.db2.gz VUOWUMSHDWJAHM-UHFFFAOYSA-N 1 2 354.498 2.710 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000626074360 521910996 /nfs/dbraw/zinc/91/09/96/521910996.db2.gz VUOWUMSHDWJAHM-UHFFFAOYSA-N 1 2 354.498 2.710 20 30 FFEDLO C[N@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000626142059 521962833 /nfs/dbraw/zinc/96/28/33/521962833.db2.gz RJJRKRIULVYERA-UHFFFAOYSA-N 1 2 354.381 2.519 20 30 FFEDLO C[N@@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000626142059 521962841 /nfs/dbraw/zinc/96/28/41/521962841.db2.gz RJJRKRIULVYERA-UHFFFAOYSA-N 1 2 354.381 2.519 20 30 FFEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000626250336 522046445 /nfs/dbraw/zinc/04/64/45/522046445.db2.gz JIWWKRQQMHQEAQ-KRWDZBQOSA-N 1 2 355.463 2.600 20 30 FFEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000626250336 522046454 /nfs/dbraw/zinc/04/64/54/522046454.db2.gz JIWWKRQQMHQEAQ-KRWDZBQOSA-N 1 2 355.463 2.600 20 30 FFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000624326043 522610491 /nfs/dbraw/zinc/61/04/91/522610491.db2.gz FMYSFIAYOMXHAH-AABGKKOBSA-N 1 2 372.513 2.717 20 30 FFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000624326043 522610503 /nfs/dbraw/zinc/61/05/03/522610503.db2.gz FMYSFIAYOMXHAH-AABGKKOBSA-N 1 2 372.513 2.717 20 30 FFEDLO Cn1c[nH+]cc1CCC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000526012980 562263654 /nfs/dbraw/zinc/26/36/54/562263654.db2.gz KQIWGQHOABYMAZ-UHFFFAOYSA-N 1 2 354.801 2.702 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2ncsc2-c2ccccc2)c1C#N ZINC000527363630 562286629 /nfs/dbraw/zinc/28/66/29/562286629.db2.gz BLVZPMDYBGXBAS-UHFFFAOYSA-N 1 2 366.450 2.809 20 30 FFEDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000541106048 562603131 /nfs/dbraw/zinc/60/31/31/562603131.db2.gz BTXJAXRSXFNECO-UHFFFAOYSA-N 1 2 369.816 2.795 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC[C@@H]3CNC(=O)[O-])CC2)cc1 ZINC000833972064 606007911 /nfs/dbraw/zinc/00/79/11/606007911.db2.gz UGLOEKGQQLDBOR-QUCCMNQESA-N 1 2 370.497 2.939 20 30 FFEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)c1ccc(C#N)cc1 ZINC000824633856 608461486 /nfs/dbraw/zinc/46/14/86/608461486.db2.gz QVRUHMROUXUQRG-LBPRGKRZSA-N 1 2 372.392 2.639 20 30 FFEDLO CN(Cc1ccc(Cl)s1)C(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000108444792 728521235 /nfs/dbraw/zinc/52/12/35/728521235.db2.gz ZYJNULQYLAURAT-UHFFFAOYSA-N 1 2 351.859 2.891 20 30 FFEDLO CCCS(=O)(=O)N1CCC([NH2+][C@H](CC)c2cccc(C#N)c2O)CC1 ZINC000924658427 738436854 /nfs/dbraw/zinc/43/68/54/738436854.db2.gz QHTNUXKRADTPMC-QGZVFWFLSA-N 1 2 365.499 2.509 20 30 FFEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000329822749 729799073 /nfs/dbraw/zinc/79/90/73/729799073.db2.gz ZEJGIHVTZVMMOM-ZHALLVOQSA-N 1 2 367.559 2.667 20 30 FFEDLO N#Cc1cc(C(F)(F)F)cc(NC[C@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000865459684 730957823 /nfs/dbraw/zinc/95/78/23/730957823.db2.gz JGYLBZQGDZMOIM-OAHLLOKOSA-N 1 2 372.416 2.592 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C#N)CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000866973135 731126834 /nfs/dbraw/zinc/12/68/34/731126834.db2.gz ZPSSJJILCLUIJE-XYJFISCASA-N 1 2 365.836 2.661 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)[C@@]2(C#N)CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000866973135 731126836 /nfs/dbraw/zinc/12/68/36/731126836.db2.gz ZPSSJJILCLUIJE-XYJFISCASA-N 1 2 365.836 2.661 20 30 FFEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccccc1CC#N ZINC000867679914 731212804 /nfs/dbraw/zinc/21/28/04/731212804.db2.gz QWABOFFPJWMIKI-UHFFFAOYSA-N 1 2 359.451 2.770 20 30 FFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000660448881 732110299 /nfs/dbraw/zinc/11/02/99/732110299.db2.gz VYDWMSVAISZZRU-ZIFCJYIRSA-N 1 2 367.559 2.628 20 30 FFEDLO N#Cc1cnc(Cl)c(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000876904845 732295248 /nfs/dbraw/zinc/29/52/48/732295248.db2.gz LYMLDDPJTNVECP-GOSISDBHSA-N 1 2 356.857 2.597 20 30 FFEDLO N#Cc1cnc(Cl)c(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000876904845 732295249 /nfs/dbraw/zinc/29/52/49/732295249.db2.gz LYMLDDPJTNVECP-GOSISDBHSA-N 1 2 356.857 2.597 20 30 FFEDLO N#Cc1cnc(Cl)c(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)c1 ZINC000877534458 732382920 /nfs/dbraw/zinc/38/29/20/732382920.db2.gz JNPZZDNRRBFPJR-ZDUSSCGKSA-N 1 2 358.829 2.707 20 30 FFEDLO COCC[N@H+](CCCS(=O)(=O)C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000878010588 732467180 /nfs/dbraw/zinc/46/71/80/732467180.db2.gz LODJWASXMJLHFH-UHFFFAOYSA-N 1 2 352.500 2.610 20 30 FFEDLO COCC[N@@H+](CCCS(=O)(=O)C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000878010588 732467182 /nfs/dbraw/zinc/46/71/82/732467182.db2.gz LODJWASXMJLHFH-UHFFFAOYSA-N 1 2 352.500 2.610 20 30 FFEDLO C=CC[C@@H](C(=O)OC)[NH+]1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000879613555 732733522 /nfs/dbraw/zinc/73/35/22/732733522.db2.gz MNPYSQWIFZOWFG-AWEZNQCLSA-N 1 2 366.527 2.928 20 30 FFEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000667017724 732930608 /nfs/dbraw/zinc/93/06/08/732930608.db2.gz ZUIJAPNBEKMPMM-OAHLLOKOSA-N 1 2 350.488 2.538 20 30 FFEDLO C#CC[N@@H+](CC(OC)OC)[C@H]1CCOc2ccc(Br)cc21 ZINC000781886884 738668042 /nfs/dbraw/zinc/66/80/42/738668042.db2.gz VRMQTSVWADDOAG-AWEZNQCLSA-N 1 2 354.244 2.827 20 30 FFEDLO C#CC[N@H+](CC(OC)OC)[C@H]1CCOc2ccc(Br)cc21 ZINC000781886884 738668045 /nfs/dbraw/zinc/66/80/45/738668045.db2.gz VRMQTSVWADDOAG-AWEZNQCLSA-N 1 2 354.244 2.827 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(Cc1cccs1)Cc1cccs1 ZINC000884058306 733473729 /nfs/dbraw/zinc/47/37/29/733473729.db2.gz GLOOSAXQLDFFJN-HNNXBMFYSA-N 1 2 364.492 2.785 20 30 FFEDLO C=CCOCCNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000684666043 734258252 /nfs/dbraw/zinc/25/82/52/734258252.db2.gz GRVYQVTVIZXHJP-UHFFFAOYSA-N 1 2 362.861 2.951 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000718978257 734377088 /nfs/dbraw/zinc/37/70/88/734377088.db2.gz BWKQAVXNZWXAGX-ZDUSSCGKSA-N 1 2 351.244 2.906 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000718978257 734377091 /nfs/dbraw/zinc/37/70/91/734377091.db2.gz BWKQAVXNZWXAGX-ZDUSSCGKSA-N 1 2 351.244 2.906 20 30 FFEDLO CC(=NNC(=S)NCCC(C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735612076 734953094 /nfs/dbraw/zinc/95/30/94/734953094.db2.gz HLHSKVOFQXMBMT-GOSISDBHSA-N 1 2 362.543 2.774 20 30 FFEDLO CC(=NNC(=S)NCCC(C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735612076 734953096 /nfs/dbraw/zinc/95/30/96/734953096.db2.gz HLHSKVOFQXMBMT-GOSISDBHSA-N 1 2 362.543 2.774 20 30 FFEDLO C#CCC1(O)CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000895674869 735039390 /nfs/dbraw/zinc/03/93/90/735039390.db2.gz HGPUWSYQDRHUPK-UHFFFAOYSA-N 1 2 353.216 2.708 20 30 FFEDLO C#CCC1(O)CC[NH+](Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000896024905 735090141 /nfs/dbraw/zinc/09/01/41/735090141.db2.gz BFGSNWPHAOWROU-UHFFFAOYSA-N 1 2 365.271 2.758 20 30 FFEDLO C/C(=C\C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)C[NH+]1CCOCC1 ZINC000900643363 735673989 /nfs/dbraw/zinc/67/39/89/735673989.db2.gz MLBJGZDWVVCPDJ-OQRGYWNNSA-N 1 2 368.264 2.953 20 30 FFEDLO CCOC(=O)[C@H]1CCC(=NNCCCn2cc[nH+]c2)C[C@@H]1C(F)(F)F ZINC000901262471 735761903 /nfs/dbraw/zinc/76/19/03/735761903.db2.gz YWFNFCZUSJKRPV-KBPBESRZSA-N 1 2 360.380 2.761 20 30 FFEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1=S ZINC000752810213 736014370 /nfs/dbraw/zinc/01/43/70/736014370.db2.gz JARHJTDXPLAJKW-ZBFHGGJFSA-N 1 2 359.499 2.855 20 30 FFEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1=S ZINC000752810213 736014373 /nfs/dbraw/zinc/01/43/73/736014373.db2.gz JARHJTDXPLAJKW-ZBFHGGJFSA-N 1 2 359.499 2.855 20 30 FFEDLO N#CC1(C[C@H](O)C[NH2+]CC(F)(F)c2cc(F)cc(F)c2)CCOCC1 ZINC000905417092 736338466 /nfs/dbraw/zinc/33/84/66/736338466.db2.gz GLFIPRVRFOOVLY-HNNXBMFYSA-N 1 2 360.351 2.718 20 30 FFEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000905656790 736378220 /nfs/dbraw/zinc/37/82/20/736378220.db2.gz RGZZNMIJNJVPCE-ZDUSSCGKSA-N 1 2 352.891 2.609 20 30 FFEDLO C=C(C)CNC(=S)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000757939471 736437684 /nfs/dbraw/zinc/43/76/84/736437684.db2.gz KOMLVMSJNZBLSL-UHFFFAOYSA-N 1 2 367.316 2.988 20 30 FFEDLO C#CCN(C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000764737849 737045379 /nfs/dbraw/zinc/04/53/79/737045379.db2.gz HBGFRKJGXRFTSO-ZWKOTPCHSA-N 1 2 361.873 2.519 20 30 FFEDLO C#CCN(C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000764737849 737045381 /nfs/dbraw/zinc/04/53/81/737045381.db2.gz HBGFRKJGXRFTSO-ZWKOTPCHSA-N 1 2 361.873 2.519 20 30 FFEDLO CC(=[NH+]NCCOCC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000765592934 737136234 /nfs/dbraw/zinc/13/62/34/737136234.db2.gz ICVZXCNNDMCXLF-UHFFFAOYSA-N 1 2 363.355 2.555 20 30 FFEDLO O=c1c2cc(Br)ccc2ncn1N=Cc1cccc2[nH+]ccn21 ZINC000771099695 737696876 /nfs/dbraw/zinc/69/68/76/737696876.db2.gz YWKJXUONMAQUPM-UHFFFAOYSA-N 1 2 368.194 2.689 20 30 FFEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000930761451 739159045 /nfs/dbraw/zinc/15/90/45/739159045.db2.gz ROWHBKYRNNHAMU-LBPRGKRZSA-N 1 2 359.455 2.817 20 30 FFEDLO Cc1cc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)cnc1Br ZINC000933644372 739666070 /nfs/dbraw/zinc/66/60/70/739666070.db2.gz OCXOREBBSJCJFM-UHFFFAOYSA-N 1 2 351.244 2.990 20 30 FFEDLO CN(C)[S@](C)(=O)=NCC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000934757341 739834020 /nfs/dbraw/zinc/83/40/20/739834020.db2.gz UQJRKSHJMSFNCM-XMMPIXPASA-N 1 2 367.946 2.978 20 30 FFEDLO COC(=O)COc1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cc1 ZINC000794708335 739922314 /nfs/dbraw/zinc/92/23/14/739922314.db2.gz RYPRQJXGIVDLIX-CMDGGOBGSA-N 1 2 360.435 2.653 20 30 FFEDLO N#Cc1ccc(OS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cc1F ZINC000799769891 740449447 /nfs/dbraw/zinc/44/94/47/740449447.db2.gz GFGGKCPMUYPQSI-UHFFFAOYSA-N 1 2 357.366 2.710 20 30 FFEDLO N#Cc1ccc(OS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)c(F)c1 ZINC000799791847 740452081 /nfs/dbraw/zinc/45/20/81/740452081.db2.gz VZTHCSBEWAMFEB-UHFFFAOYSA-N 1 2 357.366 2.710 20 30 FFEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC000970171282 740744987 /nfs/dbraw/zinc/74/49/87/740744987.db2.gz YBIHFMNKOZUJAF-LZQZEXGQSA-N 1 2 362.901 2.966 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)sc2C)C1 ZINC000972522332 740833339 /nfs/dbraw/zinc/83/33/39/740833339.db2.gz KVQSWFUSTZNNNY-RYRKJORJSA-N 1 2 363.527 2.774 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)sc2C)C1 ZINC000972522332 740833344 /nfs/dbraw/zinc/83/33/44/740833344.db2.gz KVQSWFUSTZNNNY-RYRKJORJSA-N 1 2 363.527 2.774 20 30 FFEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000810141509 741392265 /nfs/dbraw/zinc/39/22/65/741392265.db2.gz ZRKSKXFCFJUGOK-ZDUSSCGKSA-N 1 2 355.467 2.732 20 30 FFEDLO C=CCC(F)(F)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000815826610 741963680 /nfs/dbraw/zinc/96/36/80/741963680.db2.gz SVPCMMABAGYZIT-UHFFFAOYSA-N 1 2 357.832 2.790 20 30 FFEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC001003674289 742212607 /nfs/dbraw/zinc/21/26/07/742212607.db2.gz NZRJGFQZJAZGAV-ZIAGYGMSSA-N 1 2 353.260 2.872 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001015817206 742482414 /nfs/dbraw/zinc/48/24/14/742482414.db2.gz XOHHIEHDBIDDSQ-RYRKJORJSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001015817206 742482416 /nfs/dbraw/zinc/48/24/16/742482416.db2.gz XOHHIEHDBIDDSQ-RYRKJORJSA-N 1 2 363.889 2.797 20 30 FFEDLO Cc1ccc(N=C2NC(=O)/C(=C\c3c[nH+]c(N(C)C)n3C)S2)c(C)c1 ZINC000821031998 742579574 /nfs/dbraw/zinc/57/95/74/742579574.db2.gz PTNORJAMKHUHDF-OQLLNIDSSA-N 1 2 355.467 2.995 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC001024444739 742726491 /nfs/dbraw/zinc/72/64/91/742726491.db2.gz BESTWIGEPACINH-KSZLIROESA-N 1 2 363.889 2.882 20 30 FFEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC001024444739 742726493 /nfs/dbraw/zinc/72/64/93/742726493.db2.gz BESTWIGEPACINH-KSZLIROESA-N 1 2 363.889 2.882 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2c(F)cccc2F)C1 ZINC001031989926 742854323 /nfs/dbraw/zinc/85/43/23/742854323.db2.gz FSKFSGXFXJJCSW-QEORTHHSSA-N 1 2 350.409 2.665 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001034317432 742918814 /nfs/dbraw/zinc/91/88/14/742918814.db2.gz NNDSCGQEUYCJQW-XHSDSOJGSA-N 1 2 371.319 2.681 20 30 FFEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001034317432 742918821 /nfs/dbraw/zinc/91/88/21/742918821.db2.gz NNDSCGQEUYCJQW-XHSDSOJGSA-N 1 2 371.319 2.681 20 30 FFEDLO C#CC1CCN(c2nc(N3CCC(C#C)CC3)c3c([nH+]2)CCS3)CC1 ZINC000826710400 743429098 /nfs/dbraw/zinc/42/90/98/743429098.db2.gz LAGXZZZWYSXBCN-UHFFFAOYSA-N 1 2 352.507 2.824 20 30 FFEDLO C[N@H+](CC(F)F)C1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000827726603 744966417 /nfs/dbraw/zinc/96/64/17/744966417.db2.gz ZYKUTVZHUCSBFA-UHFFFAOYSA-N 1 2 359.218 2.881 20 30 FFEDLO C[N@@H+](CC(F)F)C1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000827726603 744966421 /nfs/dbraw/zinc/96/64/21/744966421.db2.gz ZYKUTVZHUCSBFA-UHFFFAOYSA-N 1 2 359.218 2.881 20 30 FFEDLO C#C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(Br)cc1 ZINC000833230301 745779440 /nfs/dbraw/zinc/77/94/40/745779440.db2.gz BJVOQDVSSSNHSH-BBRMVZONSA-N 1 2 358.239 2.699 20 30 FFEDLO C=CCCOC(=O)[C@H](C)OC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000835830210 746088112 /nfs/dbraw/zinc/08/81/12/746088112.db2.gz FXELDHJECGYHSR-JTQLQIEISA-N 1 2 352.337 2.674 20 30 FFEDLO C#CC1CC[NH+]([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC1 ZINC000843270673 747801173 /nfs/dbraw/zinc/80/11/73/747801173.db2.gz XQPXBEMCBLGQHI-AWEZNQCLSA-N 1 2 351.233 2.971 20 30 FFEDLO N#Cc1sccc1N1CC[NH+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000852342773 749839697 /nfs/dbraw/zinc/83/96/97/749839697.db2.gz VAPFNOAMFRPAIS-UHFFFAOYSA-N 1 2 350.451 2.523 20 30 FFEDLO C[C@H](C[NH+]1CCN(c2ccsc2C#N)CC1)NC(=O)OC(C)(C)C ZINC000852343617 749839792 /nfs/dbraw/zinc/83/97/92/749839792.db2.gz YNCKMYJLDFXWGX-CYBMUJFWSA-N 1 2 350.488 2.655 20 30 FFEDLO COC(=O)c1cccc(N[NH+]=Cc2cnc(N3CCOCC3)s2)c1C ZINC000853397895 750055761 /nfs/dbraw/zinc/05/57/61/750055761.db2.gz MKYRSEDBKRTSOR-UHFFFAOYSA-N 1 2 360.439 2.521 20 30 FFEDLO C[C@@]1(c2cccc(Cl)c2)NC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853526801 750083585 /nfs/dbraw/zinc/08/35/85/750083585.db2.gz ZFKXDJJYRSRPHL-UGSOOPFHSA-N 1 2 360.845 2.690 20 30 FFEDLO C[C@@]1(c2cccc(Cl)c2)NC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853526801 750083591 /nfs/dbraw/zinc/08/35/91/750083591.db2.gz ZFKXDJJYRSRPHL-UGSOOPFHSA-N 1 2 360.845 2.690 20 30 FFEDLO C[C@H]1CN(Cc2ccccc2)C[C@]2(CC[N@H+](Cc3cccc(C#N)n3)C2)O1 ZINC000895679235 970830396 /nfs/dbraw/zinc/83/03/96/970830396.db2.gz DXUQYBDKIOUSFT-PGRDOPGGSA-N 1 2 362.477 2.819 20 30 FFEDLO C[C@H]1CN(Cc2ccccc2)C[C@]2(CC[N@@H+](Cc3cccc(C#N)n3)C2)O1 ZINC000895679235 970830404 /nfs/dbraw/zinc/83/04/04/970830404.db2.gz DXUQYBDKIOUSFT-PGRDOPGGSA-N 1 2 362.477 2.819 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccn(C(C)C)n2)C1 ZINC001112068208 971255426 /nfs/dbraw/zinc/25/54/26/971255426.db2.gz NYGHYFFQTWHHQM-HUUCEWRRSA-N 1 2 358.408 2.909 20 30 FFEDLO N#Cc1cccc(-c2nnc(CO[NH+]=C(N)Cc3cccc(F)c3)o2)c1 ZINC000783153717 971260573 /nfs/dbraw/zinc/26/05/73/971260573.db2.gz YWWZEZBZDBHMNK-UHFFFAOYSA-N 1 2 351.341 2.989 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C(F)C(F)(F)F)C[C@@H]3C2)cc1 ZINC001087973422 971415287 /nfs/dbraw/zinc/41/52/87/971415287.db2.gz XRCNGXIPADIIPN-OWCLPIDISA-N 1 2 369.362 2.739 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)C(F)(F)F)C[C@@H]3C2)cc1 ZINC001087973422 971415309 /nfs/dbraw/zinc/41/53/09/971415309.db2.gz XRCNGXIPADIIPN-OWCLPIDISA-N 1 2 369.362 2.739 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](F)C(F)(F)F)C[C@@H]3C2)cc1 ZINC001087973422 971415316 /nfs/dbraw/zinc/41/53/16/971415316.db2.gz XRCNGXIPADIIPN-OWCLPIDISA-N 1 2 369.362 2.739 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](F)C(F)(F)F)C[C@@H]3C2)cc1 ZINC001087973422 971415321 /nfs/dbraw/zinc/41/53/21/971415321.db2.gz XRCNGXIPADIIPN-OWCLPIDISA-N 1 2 369.362 2.739 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc3ccccc3o2)c1 ZINC001095282500 1013078429 /nfs/dbraw/zinc/07/84/29/1013078429.db2.gz YZZUEIJWFKZBSR-KMFMINBZSA-N 1 2 361.405 2.563 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc3ccccc3o2)c1 ZINC001095282500 1013078446 /nfs/dbraw/zinc/07/84/46/1013078446.db2.gz YZZUEIJWFKZBSR-KMFMINBZSA-N 1 2 361.405 2.563 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)c1 ZINC000896359858 971456274 /nfs/dbraw/zinc/45/62/74/971456274.db2.gz AXLOSYJEKBCQSC-BEFAXECRSA-N 1 2 367.453 2.787 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)c1 ZINC000896359858 971456278 /nfs/dbraw/zinc/45/62/78/971456278.db2.gz AXLOSYJEKBCQSC-BEFAXECRSA-N 1 2 367.453 2.787 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC000974519109 971954209 /nfs/dbraw/zinc/95/42/09/971954209.db2.gz AFLLCIYLZUDFRN-CEQIKUNHSA-N 1 2 366.465 2.610 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759914694 971956602 /nfs/dbraw/zinc/95/66/02/971956602.db2.gz XUGWLHJTCDGHIM-QGZVFWFLSA-N 1 2 350.397 2.730 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759914694 971956611 /nfs/dbraw/zinc/95/66/11/971956611.db2.gz XUGWLHJTCDGHIM-QGZVFWFLSA-N 1 2 350.397 2.730 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC1(C)C ZINC000975065482 972337224 /nfs/dbraw/zinc/33/72/24/972337224.db2.gz PIHPQPSLHMNUDQ-NEWSRXKRSA-N 1 2 371.456 2.615 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)CC1(C)C ZINC000975065482 972337226 /nfs/dbraw/zinc/33/72/26/972337226.db2.gz PIHPQPSLHMNUDQ-NEWSRXKRSA-N 1 2 371.456 2.615 20 30 FFEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC ZINC001266275426 959091338 /nfs/dbraw/zinc/09/13/38/959091338.db2.gz YOJMGIGFCBXYQG-GOEBONIOSA-N 1 2 352.862 2.608 20 30 FFEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC ZINC001266275426 959091356 /nfs/dbraw/zinc/09/13/56/959091356.db2.gz YOJMGIGFCBXYQG-GOEBONIOSA-N 1 2 352.862 2.608 20 30 FFEDLO C=CCC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1C)c1ccccc1 ZINC001211495365 959324336 /nfs/dbraw/zinc/32/43/36/959324336.db2.gz KOJGFJFWUMBIQO-LSTHTHJFSA-N 1 2 367.497 2.502 20 30 FFEDLO C=CCC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1C)c1ccccc1 ZINC001211495365 959324355 /nfs/dbraw/zinc/32/43/55/959324355.db2.gz KOJGFJFWUMBIQO-LSTHTHJFSA-N 1 2 367.497 2.502 20 30 FFEDLO CC[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001083199373 960551178 /nfs/dbraw/zinc/55/11/78/960551178.db2.gz YDWOJDDWRBRCKE-RSPOEFSDSA-N 1 2 372.896 2.649 20 30 FFEDLO CC[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001083199373 960551189 /nfs/dbraw/zinc/55/11/89/960551189.db2.gz YDWOJDDWRBRCKE-RSPOEFSDSA-N 1 2 372.896 2.649 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(F)cc2Br)C1=O ZINC001275959443 1013232261 /nfs/dbraw/zinc/23/22/61/1013232261.db2.gz XLHUUKUYKYUVAN-QGZVFWFLSA-N 1 2 365.246 2.788 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(F)cc2Br)C1=O ZINC001275959443 1013232270 /nfs/dbraw/zinc/23/22/70/1013232270.db2.gz XLHUUKUYKYUVAN-QGZVFWFLSA-N 1 2 365.246 2.788 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970572141 961743330 /nfs/dbraw/zinc/74/33/30/961743330.db2.gz RDKPYWOCVLPORF-WNYOCNMUSA-N 1 2 371.456 2.615 20 30 FFEDLO Cc1ccc(C[NH+]2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)cc1C#N ZINC001167371518 962466574 /nfs/dbraw/zinc/46/65/74/962466574.db2.gz FQOGFGCKCPJFMI-JOCHJYFZSA-N 1 2 374.488 2.790 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110177933 1013368829 /nfs/dbraw/zinc/36/88/29/1013368829.db2.gz OGGSAYBLMXSRCF-NEWSRXKRSA-N 1 2 357.429 2.512 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110177933 1013368838 /nfs/dbraw/zinc/36/88/38/1013368838.db2.gz OGGSAYBLMXSRCF-NEWSRXKRSA-N 1 2 357.429 2.512 20 30 FFEDLO N#CCCCN1C[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3F)C2)OCC1=O ZINC001276065547 1013388504 /nfs/dbraw/zinc/38/85/04/1013388504.db2.gz NRRJSZIFLRFTDY-SFHVURJKSA-N 1 2 365.836 2.586 20 30 FFEDLO N#CCCCN1C[C@@]2(CC[N@H+](Cc3cccc(Cl)c3F)C2)OCC1=O ZINC001276065547 1013388513 /nfs/dbraw/zinc/38/85/13/1013388513.db2.gz NRRJSZIFLRFTDY-SFHVURJKSA-N 1 2 365.836 2.586 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccc(F)cc2o1 ZINC001111488696 963048104 /nfs/dbraw/zinc/04/81/04/963048104.db2.gz RSTRISAHHSGHPJ-JFOHDYCDSA-N 1 2 373.428 2.780 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccc(F)cc2o1 ZINC001111488696 963048116 /nfs/dbraw/zinc/04/81/16/963048116.db2.gz RSTRISAHHSGHPJ-JFOHDYCDSA-N 1 2 373.428 2.780 20 30 FFEDLO CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(C#N)cc1F)C2 ZINC001276083093 1013422066 /nfs/dbraw/zinc/42/20/66/1013422066.db2.gz MOEMGZWMXHZONH-MGPUTAFESA-N 1 2 359.445 2.547 20 30 FFEDLO CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(C#N)cc1F)C2 ZINC001276083093 1013422073 /nfs/dbraw/zinc/42/20/73/1013422073.db2.gz MOEMGZWMXHZONH-MGPUTAFESA-N 1 2 359.445 2.547 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c(F)ccc(C)c1F)C2 ZINC001276085795 1013431625 /nfs/dbraw/zinc/43/16/25/1013431625.db2.gz LPFDZHSUOFSELY-IBGZPJMESA-N 1 2 350.409 2.510 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(F)ccc(C)c1F)C2 ZINC001276085795 1013431629 /nfs/dbraw/zinc/43/16/29/1013431629.db2.gz LPFDZHSUOFSELY-IBGZPJMESA-N 1 2 350.409 2.510 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000933213262 963716263 /nfs/dbraw/zinc/71/62/63/963716263.db2.gz HOCBTTINPUOSPX-IAGOWNOFSA-N 1 2 362.433 2.725 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCOC[C@H]1CC1CC1 ZINC000933213262 963716270 /nfs/dbraw/zinc/71/62/70/963716270.db2.gz HOCBTTINPUOSPX-IAGOWNOFSA-N 1 2 362.433 2.725 20 30 FFEDLO C=CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c(F)c(F)cc(F)c3F)C2)C1=O ZINC001276091180 1013446451 /nfs/dbraw/zinc/44/64/51/1013446451.db2.gz UCFLJYAHMHAGTH-GOSISDBHSA-N 1 2 370.346 2.770 20 30 FFEDLO C=CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3c(F)c(F)cc(F)c3F)C2)C1=O ZINC001276091180 1013446459 /nfs/dbraw/zinc/44/64/59/1013446459.db2.gz UCFLJYAHMHAGTH-GOSISDBHSA-N 1 2 370.346 2.770 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+]([C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000891398451 963840822 /nfs/dbraw/zinc/84/08/22/963840822.db2.gz CQXSIKCPMWYUJV-CEXWTWQISA-N 1 2 359.445 2.503 20 30 FFEDLO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000643722327 964155519 /nfs/dbraw/zinc/15/55/19/964155519.db2.gz AWHMTIBWGQYEQH-KRWDZBQOSA-N 1 2 370.526 2.749 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2c(F)cccc2F)C1 ZINC000971556520 964160802 /nfs/dbraw/zinc/16/08/02/964160802.db2.gz RNUKWLADDBUZDS-KHYOSLBOSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2c(F)cccc2F)C1 ZINC000971556520 964160808 /nfs/dbraw/zinc/16/08/08/964160808.db2.gz RNUKWLADDBUZDS-KHYOSLBOSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC000971556293 964161375 /nfs/dbraw/zinc/16/13/75/964161375.db2.gz PAKZEGYQJGVXHW-KURKYZTESA-N 1 2 359.470 2.566 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC000971556293 964161380 /nfs/dbraw/zinc/16/13/80/964161380.db2.gz PAKZEGYQJGVXHW-KURKYZTESA-N 1 2 359.470 2.566 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001022073561 964232773 /nfs/dbraw/zinc/23/27/73/964232773.db2.gz UDETVQGKOLXSEV-HLLQZAQXSA-N 1 2 366.465 2.838 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2onc(C)c2C)C1 ZINC001087465709 964374478 /nfs/dbraw/zinc/37/44/78/964374478.db2.gz FCVQWVAVKNQGJC-QZTJIDSGSA-N 1 2 355.413 2.652 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2onc(C)c2C)C1 ZINC001087465709 964374499 /nfs/dbraw/zinc/37/44/99/964374499.db2.gz FCVQWVAVKNQGJC-QZTJIDSGSA-N 1 2 355.413 2.652 20 30 FFEDLO C=CCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[N@@H+]2C[C@@H](CC)CCCC ZINC001269982764 964509438 /nfs/dbraw/zinc/50/94/38/964509438.db2.gz NJWAKCPUDSMIHN-GBESFXJTSA-N 1 2 352.519 2.707 20 30 FFEDLO C=CCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[N@H+]2C[C@@H](CC)CCCC ZINC001269982764 964509444 /nfs/dbraw/zinc/50/94/44/964509444.db2.gz NJWAKCPUDSMIHN-GBESFXJTSA-N 1 2 352.519 2.707 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1c(F)cccc1F ZINC000960885401 1013506984 /nfs/dbraw/zinc/50/69/84/1013506984.db2.gz UYLORSIHTLWUJV-KHYOSLBOSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1c(F)cccc1F ZINC000960885401 1013506986 /nfs/dbraw/zinc/50/69/86/1013506986.db2.gz UYLORSIHTLWUJV-KHYOSLBOSA-N 1 2 364.436 2.979 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001270164236 964750694 /nfs/dbraw/zinc/75/06/94/964750694.db2.gz RWIGEDAWPPHZSU-OALUTQOASA-N 1 2 362.518 2.545 20 30 FFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cccc3c2OCC3)CC1 ZINC000891703199 964899109 /nfs/dbraw/zinc/89/91/09/964899109.db2.gz TYFGZRHUHWPTCC-UHFFFAOYSA-N 1 2 350.422 2.681 20 30 FFEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[C@@H](c3ccccc3)C1)CO2 ZINC001482286628 965049652 /nfs/dbraw/zinc/04/96/52/965049652.db2.gz LUHQLOLGPLGNKF-VAMGGRTRSA-N 1 2 352.478 2.553 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@@H]2c2ccc(F)cc2)c1 ZINC001087467721 965131265 /nfs/dbraw/zinc/13/12/65/965131265.db2.gz LUXCKKYXKDJHCI-WOJBJXKFSA-N 1 2 369.415 2.759 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@@H]2c2ccc(F)cc2)c1 ZINC001087467721 965131271 /nfs/dbraw/zinc/13/12/71/965131271.db2.gz LUXCKKYXKDJHCI-WOJBJXKFSA-N 1 2 369.415 2.759 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2conc2CC)C1 ZINC001087467822 965140808 /nfs/dbraw/zinc/14/08/08/965140808.db2.gz RQXHGXPHNVYYTF-VQIMIIECSA-N 1 2 355.413 2.597 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2conc2CC)C1 ZINC001087467822 965140816 /nfs/dbraw/zinc/14/08/16/965140816.db2.gz RQXHGXPHNVYYTF-VQIMIIECSA-N 1 2 355.413 2.597 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[C@@]2(C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001270610631 965295494 /nfs/dbraw/zinc/29/54/94/965295494.db2.gz NCYWDUAZZUAVQE-JLTOFOAXSA-N 1 2 352.438 2.724 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccccc2o1 ZINC001111490202 965346923 /nfs/dbraw/zinc/34/69/23/965346923.db2.gz XQTKLYNNROAXQE-SRABZTEZSA-N 1 2 355.438 2.640 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccccc2o1 ZINC001111490202 965346933 /nfs/dbraw/zinc/34/69/33/965346933.db2.gz XQTKLYNNROAXQE-SRABZTEZSA-N 1 2 355.438 2.640 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)c4ccc(F)cc4Cl)C3)C2)cc1C#N ZINC001270675064 965737414 /nfs/dbraw/zinc/73/74/14/965737414.db2.gz ITLOTFARXLDRMT-UHFFFAOYSA-N 1 2 372.831 2.647 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000972387250 966897032 /nfs/dbraw/zinc/89/70/32/966897032.db2.gz NGGBNNZUCBGMEF-JAXLGGSGSA-N 1 2 352.478 2.507 20 30 FFEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000972387250 966897033 /nfs/dbraw/zinc/89/70/33/966897033.db2.gz NGGBNNZUCBGMEF-JAXLGGSGSA-N 1 2 352.478 2.507 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H]2Cc3ccccc3O2)CC1=O ZINC000121460364 967120165 /nfs/dbraw/zinc/12/01/65/967120165.db2.gz DLDLTCOISHFZRF-HNNXBMFYSA-N 1 2 374.444 2.650 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)COc2c(C)cccc2C)c1 ZINC000052130767 967282188 /nfs/dbraw/zinc/28/21/88/967282188.db2.gz DABAMQODROLQNQ-FQEVSTJZSA-N 1 2 366.461 2.595 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)COc2c(C)cccc2C)c1 ZINC000052130767 967282196 /nfs/dbraw/zinc/28/21/96/967282196.db2.gz DABAMQODROLQNQ-FQEVSTJZSA-N 1 2 366.461 2.595 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC000972523885 967590047 /nfs/dbraw/zinc/59/00/47/967590047.db2.gz ZMZXEUDMCHJDCU-BZSNNMDCSA-N 1 2 359.470 2.566 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC000972523885 967590052 /nfs/dbraw/zinc/59/00/52/967590052.db2.gz ZMZXEUDMCHJDCU-BZSNNMDCSA-N 1 2 359.470 2.566 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1cccc2[nH+]ccn21 ZINC001270972953 967893613 /nfs/dbraw/zinc/89/36/13/967893613.db2.gz XPJUVKQEXWCFDA-HXUWFJFHSA-N 1 2 352.438 2.508 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCCCC)CCCC1 ZINC001111518091 968021030 /nfs/dbraw/zinc/02/10/30/968021030.db2.gz QTEHKIUOUUCNJQ-KURKYZTESA-N 1 2 361.530 2.761 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCCCC)CCCC1 ZINC001111518091 968021040 /nfs/dbraw/zinc/02/10/40/968021040.db2.gz QTEHKIUOUUCNJQ-KURKYZTESA-N 1 2 361.530 2.761 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029402416 968183685 /nfs/dbraw/zinc/18/36/85/968183685.db2.gz PGPXQBZSOCFQPX-MHTWAQMVSA-N 1 2 352.478 2.528 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029402416 968183690 /nfs/dbraw/zinc/18/36/90/968183690.db2.gz PGPXQBZSOCFQPX-MHTWAQMVSA-N 1 2 352.478 2.528 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccns2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001087590495 968273130 /nfs/dbraw/zinc/27/31/30/968273130.db2.gz HMWLKAGBYNFJFY-JKSUJKDBSA-N 1 2 358.442 2.937 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccns2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001087590495 968273139 /nfs/dbraw/zinc/27/31/39/968273139.db2.gz HMWLKAGBYNFJFY-JKSUJKDBSA-N 1 2 358.442 2.937 20 30 FFEDLO Cc1cc(C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)sc1C ZINC001271130306 968582020 /nfs/dbraw/zinc/58/20/20/968582020.db2.gz OMUADLZMDFZUCO-UHFFFAOYSA-N 1 2 354.479 2.533 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1nc(C)c(C)o1 ZINC001024441192 968922648 /nfs/dbraw/zinc/92/26/48/968922648.db2.gz ABYZZHQLLDWZCC-KURKYZTESA-N 1 2 361.486 2.743 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc(C)c(C)o1 ZINC001024441192 968922657 /nfs/dbraw/zinc/92/26/57/968922657.db2.gz ABYZZHQLLDWZCC-KURKYZTESA-N 1 2 361.486 2.743 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CCOC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087775697 968996660 /nfs/dbraw/zinc/99/66/60/968996660.db2.gz UJSANNVDGPVTKU-NLWGTHIKSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CCOC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087775697 968996668 /nfs/dbraw/zinc/99/66/68/968996668.db2.gz UJSANNVDGPVTKU-NLWGTHIKSA-N 1 2 359.445 2.593 20 30 FFEDLO C=CCCC1(CNC(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CCCC1 ZINC000658701851 969007996 /nfs/dbraw/zinc/00/79/96/969007996.db2.gz HDHJQECCTXUFBR-ZWKOTPCHSA-N 1 2 372.513 2.935 20 30 FFEDLO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000125138528 1013885593 /nfs/dbraw/zinc/88/55/93/1013885593.db2.gz LUCCSVDBLGTABL-YIRPMMGJSA-N 1 2 368.437 2.930 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)c1 ZINC000874888893 1013923694 /nfs/dbraw/zinc/92/36/94/1013923694.db2.gz HOLMJMBEMFVWOT-IBGZPJMESA-N 1 2 352.413 2.550 20 30 FFEDLO C[C@@H](CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21)C1CC1 ZINC001083286086 970422778 /nfs/dbraw/zinc/42/27/78/970422778.db2.gz RQHFUDPKTRCVJO-PNHOKKKMSA-N 1 2 371.456 2.545 20 30 FFEDLO C[C@@H](CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21)C1CC1 ZINC001083286086 970422784 /nfs/dbraw/zinc/42/27/84/970422784.db2.gz RQHFUDPKTRCVJO-PNHOKKKMSA-N 1 2 371.456 2.545 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087835369 970498368 /nfs/dbraw/zinc/49/83/68/970498368.db2.gz XECPXRMGLUVZQX-RBUKOAKNSA-N 1 2 354.429 2.737 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087835369 970498370 /nfs/dbraw/zinc/49/83/70/970498370.db2.gz XECPXRMGLUVZQX-RBUKOAKNSA-N 1 2 354.429 2.737 20 30 FFEDLO Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(F)ccc4C#N)C[C@H]32)n1C ZINC001075542125 970688787 /nfs/dbraw/zinc/68/87/87/970688787.db2.gz ZQYRVTZIOYCWAK-OXJNMPFZSA-N 1 2 366.440 2.691 20 30 FFEDLO Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(F)ccc4C#N)C[C@H]32)n1C ZINC001075542125 970688793 /nfs/dbraw/zinc/68/87/93/970688793.db2.gz ZQYRVTZIOYCWAK-OXJNMPFZSA-N 1 2 366.440 2.691 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001211662270 972595826 /nfs/dbraw/zinc/59/58/26/972595826.db2.gz YEHGNOHPQNAHOP-ZWKOTPCHSA-N 1 2 354.454 2.819 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C4CC4)no3)CC[C@@H]2C1 ZINC001088093424 972730921 /nfs/dbraw/zinc/73/09/21/972730921.db2.gz WNDHHFPYVCSSQA-GUXCAODWSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C4CC4)no3)CC[C@@H]2C1 ZINC001088093424 972730928 /nfs/dbraw/zinc/73/09/28/972730928.db2.gz WNDHHFPYVCSSQA-GUXCAODWSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)c4nnc(CC)[nH]4)CC[C@@H]3C2)C1 ZINC001088098541 972783775 /nfs/dbraw/zinc/78/37/75/972783775.db2.gz OSKSWNYPXKPXLW-XHSDSOJGSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)c4nnc(CC)[nH]4)CC[C@@H]3C2)C1 ZINC001088098541 972783783 /nfs/dbraw/zinc/78/37/83/972783783.db2.gz OSKSWNYPXKPXLW-XHSDSOJGSA-N 1 2 357.502 2.565 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cnn(CCC#N)c3C)CC2)cc1 ZINC000893423157 973618068 /nfs/dbraw/zinc/61/80/68/973618068.db2.gz NIMNWNRKQDNNGY-UHFFFAOYSA-N 1 2 365.481 2.626 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)[C@H]3C2)CC1 ZINC000975982334 973664530 /nfs/dbraw/zinc/66/45/30/973664530.db2.gz IMZUMUVVQUTMTG-LPHOPBHVSA-N 1 2 370.497 2.538 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)[C@H]3C2)CC1 ZINC000975982334 973664532 /nfs/dbraw/zinc/66/45/32/973664532.db2.gz IMZUMUVVQUTMTG-LPHOPBHVSA-N 1 2 370.497 2.538 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC001167784631 974935747 /nfs/dbraw/zinc/93/57/47/974935747.db2.gz JPEIPOFSLFUVDJ-BBWFWOEESA-N 1 2 353.388 2.979 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC(C)(C)CO2)[C@H]1C ZINC001088740063 975677226 /nfs/dbraw/zinc/67/72/26/975677226.db2.gz NBFMDWKPEVJNRB-MCIONIFRSA-N 1 2 359.308 2.679 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC(C)(C)CO2)[C@H]1C ZINC001088740063 975677237 /nfs/dbraw/zinc/67/72/37/975677237.db2.gz NBFMDWKPEVJNRB-MCIONIFRSA-N 1 2 359.308 2.679 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cncs4)[C@@H]3C2)c1 ZINC001075589951 975983670 /nfs/dbraw/zinc/98/36/70/975983670.db2.gz WETGJUATLQLEGL-XJKSGUPXSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCN(C(=O)c4cncs4)[C@@H]3C2)c1 ZINC001075589951 975983678 /nfs/dbraw/zinc/98/36/78/975983678.db2.gz WETGJUATLQLEGL-XJKSGUPXSA-N 1 2 356.426 2.500 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(OC)ns3)[C@@H]2C)cc1 ZINC001088786991 976222943 /nfs/dbraw/zinc/22/29/43/976222943.db2.gz KNKZBNPGSMVLFZ-DYVFJYSZSA-N 1 2 355.463 2.526 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(OC)ns3)[C@@H]2C)cc1 ZINC001088786991 976222953 /nfs/dbraw/zinc/22/29/53/976222953.db2.gz KNKZBNPGSMVLFZ-DYVFJYSZSA-N 1 2 355.463 2.526 20 30 FFEDLO CC(C)c1ccccc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083508971 976629209 /nfs/dbraw/zinc/62/92/09/976629209.db2.gz JMHUDRYBPGAGHR-YADHBBJMSA-N 1 2 362.473 2.637 20 30 FFEDLO CC(C)c1ccccc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083508971 976629215 /nfs/dbraw/zinc/62/92/15/976629215.db2.gz JMHUDRYBPGAGHR-YADHBBJMSA-N 1 2 362.473 2.637 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)cc1F ZINC000981604020 976644178 /nfs/dbraw/zinc/64/41/78/976644178.db2.gz WMNRLIQMJRVQPR-CTNGQTDRSA-N 1 2 371.456 2.691 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)cc1F ZINC000981604020 976644184 /nfs/dbraw/zinc/64/41/84/976644184.db2.gz WMNRLIQMJRVQPR-CTNGQTDRSA-N 1 2 371.456 2.691 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3csc(Br)c3)C[C@H]21 ZINC001075616424 977324164 /nfs/dbraw/zinc/32/41/64/977324164.db2.gz SEYMCIPJAOKTDG-WCFLWFBJSA-N 1 2 368.300 2.703 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3csc(Br)c3)C[C@H]21 ZINC001075616424 977324171 /nfs/dbraw/zinc/32/41/71/977324171.db2.gz SEYMCIPJAOKTDG-WCFLWFBJSA-N 1 2 368.300 2.703 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3Cc4cc(Cl)ccc4O3)[C@@H]2C1 ZINC001076007826 977349185 /nfs/dbraw/zinc/34/91/85/977349185.db2.gz QILUGQRBFSPPID-XGWLTEMNSA-N 1 2 367.276 2.929 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3Cc4cc(Cl)ccc4O3)[C@@H]2C1 ZINC001076007826 977349187 /nfs/dbraw/zinc/34/91/87/977349187.db2.gz QILUGQRBFSPPID-XGWLTEMNSA-N 1 2 367.276 2.929 20 30 FFEDLO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2NCCc3cc(C#N)ccc32)cc1F ZINC000876776963 1014389187 /nfs/dbraw/zinc/38/91/87/1014389187.db2.gz LUAFXHNMSCLEPE-LJQANCHMSA-N 1 2 352.413 2.584 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@@H]2c2cccc(F)c2)c1 ZINC001087453645 977754948 /nfs/dbraw/zinc/75/49/48/977754948.db2.gz DAOUJEYIPSSCBJ-SJLPKXTDSA-N 1 2 358.392 2.583 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@@H]2c2cccc(F)c2)c1 ZINC001087453645 977754952 /nfs/dbraw/zinc/75/49/52/977754952.db2.gz DAOUJEYIPSSCBJ-SJLPKXTDSA-N 1 2 358.392 2.583 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ocnc2C)C1 ZINC001087453848 977756103 /nfs/dbraw/zinc/75/61/03/977756103.db2.gz OJLCUJOUHBOJDQ-QZTJIDSGSA-N 1 2 355.413 2.733 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ocnc2C)C1 ZINC001087453848 977756109 /nfs/dbraw/zinc/75/61/09/977756109.db2.gz OJLCUJOUHBOJDQ-QZTJIDSGSA-N 1 2 355.413 2.733 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2conc2C2CC2)C1 ZINC001087458344 977922252 /nfs/dbraw/zinc/92/22/52/977922252.db2.gz XFXGVTYSEKERHX-IEBWSBKVSA-N 1 2 367.424 2.912 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2conc2C2CC2)C1 ZINC001087458344 977922257 /nfs/dbraw/zinc/92/22/57/977922257.db2.gz XFXGVTYSEKERHX-IEBWSBKVSA-N 1 2 367.424 2.912 20 30 FFEDLO Cn1cc2c(n1)C[N@@H+](Cc1ccc(OCC#N)cc1)C[C@H]2COCC1CC1 ZINC001137116581 1014495376 /nfs/dbraw/zinc/49/53/76/1014495376.db2.gz JLZDIBKTUCIIIJ-SFHVURJKSA-N 1 2 366.465 2.848 20 30 FFEDLO Cn1cc2c(n1)C[N@H+](Cc1ccc(OCC#N)cc1)C[C@H]2COCC1CC1 ZINC001137116581 1014495386 /nfs/dbraw/zinc/49/53/86/1014495386.db2.gz JLZDIBKTUCIIIJ-SFHVURJKSA-N 1 2 366.465 2.848 20 30 FFEDLO N#CCOc1cccc(NCc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC000877169646 1014496296 /nfs/dbraw/zinc/49/62/96/1014496296.db2.gz PZBUIYVROLXWLA-UHFFFAOYSA-N 1 2 367.449 2.912 20 30 FFEDLO CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC001137116854 1014500102 /nfs/dbraw/zinc/50/01/02/1014500102.db2.gz SXZPBIOTVXNMAX-NRFANRHFSA-N 1 2 357.498 2.912 20 30 FFEDLO CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC001137116854 1014500108 /nfs/dbraw/zinc/50/01/08/1014500108.db2.gz SXZPBIOTVXNMAX-NRFANRHFSA-N 1 2 357.498 2.912 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)[C@@H]2C1 ZINC001076152499 979166748 /nfs/dbraw/zinc/16/67/48/979166748.db2.gz MRVXZYYATYYWQY-GXAQHZSOSA-N 1 2 353.441 2.776 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)[C@@H]2C1 ZINC001076152499 979166751 /nfs/dbraw/zinc/16/67/51/979166751.db2.gz MRVXZYYATYYWQY-GXAQHZSOSA-N 1 2 353.441 2.776 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(-c4ccncc4)on3)[C@@H]2C1 ZINC001076193633 979197720 /nfs/dbraw/zinc/19/77/20/979197720.db2.gz MFYJFSVQMYOUPN-GOEBONIOSA-N 1 2 358.829 2.635 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(-c4ccncc4)on3)[C@@H]2C1 ZINC001076193633 979197722 /nfs/dbraw/zinc/19/77/22/979197722.db2.gz MFYJFSVQMYOUPN-GOEBONIOSA-N 1 2 358.829 2.635 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC4(CC4)C3)[C@@H]2C1 ZINC001076226451 979247928 /nfs/dbraw/zinc/24/79/28/979247928.db2.gz FXNXMPHWEFAZNY-HNAYVOBHSA-N 1 2 353.441 2.920 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)C3CC4(CC4)C3)[C@@H]2C1 ZINC001076226451 979247936 /nfs/dbraw/zinc/24/79/36/979247936.db2.gz FXNXMPHWEFAZNY-HNAYVOBHSA-N 1 2 353.441 2.920 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(N4CCCC4)nc3)[C@@H]2C1 ZINC001076364433 979420700 /nfs/dbraw/zinc/42/07/00/979420700.db2.gz BYPRMZJDLKWZMJ-DLBZAZTESA-N 1 2 360.889 2.581 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(N4CCCC4)nc3)[C@@H]2C1 ZINC001076364433 979420702 /nfs/dbraw/zinc/42/07/02/979420702.db2.gz BYPRMZJDLKWZMJ-DLBZAZTESA-N 1 2 360.889 2.581 20 30 FFEDLO COc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)o1 ZINC001076393706 979451193 /nfs/dbraw/zinc/45/11/93/979451193.db2.gz SLGOYIPKCSLJLI-DOTOQJQBSA-N 1 2 369.396 2.645 20 30 FFEDLO COc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)o1 ZINC001076393706 979451196 /nfs/dbraw/zinc/45/11/96/979451196.db2.gz SLGOYIPKCSLJLI-DOTOQJQBSA-N 1 2 369.396 2.645 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(OC)c3OC)[C@@H]2C1 ZINC001076496656 979564890 /nfs/dbraw/zinc/56/48/90/979564890.db2.gz VMGUGNDXXKBZBH-DZGCQCFKSA-N 1 2 350.846 2.603 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(OC)c3OC)[C@@H]2C1 ZINC001076496656 979564897 /nfs/dbraw/zinc/56/48/97/979564897.db2.gz VMGUGNDXXKBZBH-DZGCQCFKSA-N 1 2 350.846 2.603 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C[C@H]2CCOC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088501838 980108628 /nfs/dbraw/zinc/10/86/28/980108628.db2.gz KYOHOXOOEXLHPW-MDZRGWNJSA-N 1 2 360.885 2.697 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C[C@H]2CCOC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088501838 980108663 /nfs/dbraw/zinc/10/86/63/980108663.db2.gz KYOHOXOOEXLHPW-MDZRGWNJSA-N 1 2 360.885 2.697 20 30 FFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000668429975 980358979 /nfs/dbraw/zinc/35/89/79/980358979.db2.gz WRLOMCBZDDRRPQ-QZTJIDSGSA-N 1 2 370.497 2.549 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cncc(F)c2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088520180 980412468 /nfs/dbraw/zinc/41/24/68/980412468.db2.gz ADXLWJRMHXYCSI-XIKOKIGWSA-N 1 2 356.376 2.624 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cncc(F)c2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088520180 980412471 /nfs/dbraw/zinc/41/24/71/980412471.db2.gz ADXLWJRMHXYCSI-XIKOKIGWSA-N 1 2 356.376 2.624 20 30 FFEDLO Cc1nscc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088532179 980455731 /nfs/dbraw/zinc/45/57/31/980455731.db2.gz DIYKYDCUNDATTK-PXAZEXFGSA-N 1 2 358.442 2.855 20 30 FFEDLO Cc1nscc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088532179 980455734 /nfs/dbraw/zinc/45/57/34/980455734.db2.gz DIYKYDCUNDATTK-PXAZEXFGSA-N 1 2 358.442 2.855 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn4c3ccc(C)c4C)[C@@H]2C1 ZINC001075903840 981256988 /nfs/dbraw/zinc/25/69/88/981256988.db2.gz IXXHOOFWAQHJTG-MAUKXSAKSA-N 1 2 358.873 2.850 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn4c3ccc(C)c4C)[C@@H]2C1 ZINC001075903840 981256989 /nfs/dbraw/zinc/25/69/89/981256989.db2.gz IXXHOOFWAQHJTG-MAUKXSAKSA-N 1 2 358.873 2.850 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2c(F)cncc2F)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088596414 981376736 /nfs/dbraw/zinc/37/67/36/981376736.db2.gz YNXJNOMMIHKPFO-BMIGLBTASA-N 1 2 362.405 2.686 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2c(F)cncc2F)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088596414 981376742 /nfs/dbraw/zinc/37/67/42/981376742.db2.gz YNXJNOMMIHKPFO-BMIGLBTASA-N 1 2 362.405 2.686 20 30 FFEDLO Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000908614723 981484361 /nfs/dbraw/zinc/48/43/61/981484361.db2.gz LHMDXCXDCMEIFP-UHFFFAOYSA-N 1 2 359.437 2.830 20 30 FFEDLO C=C(C)Cn1c(C2CCOCC2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000909276284 981674734 /nfs/dbraw/zinc/67/47/34/981674734.db2.gz VBLXXVQNRPZHPT-UHFFFAOYSA-N 1 2 371.485 2.663 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+]2CCO[C@H](c3ccnn3C)C2)ccc1OC ZINC000897558015 982247492 /nfs/dbraw/zinc/24/74/92/982247492.db2.gz DGUACEURDXREBO-FQEVSTJZSA-N 1 2 357.454 2.957 20 30 FFEDLO C=C(C)COc1cc(C[N@H+]2CCO[C@H](c3ccnn3C)C2)ccc1OC ZINC000897558015 982247496 /nfs/dbraw/zinc/24/74/96/982247496.db2.gz DGUACEURDXREBO-FQEVSTJZSA-N 1 2 357.454 2.957 20 30 FFEDLO C=CC[C@H]1CCCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1 ZINC000912390261 984026073 /nfs/dbraw/zinc/02/60/73/984026073.db2.gz YMUVGFVXUZGVGQ-LPHOPBHVSA-N 1 2 372.513 2.832 20 30 FFEDLO C=CC[C@H]1CCCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1 ZINC000912390261 984026080 /nfs/dbraw/zinc/02/60/80/984026080.db2.gz YMUVGFVXUZGVGQ-LPHOPBHVSA-N 1 2 372.513 2.832 20 30 FFEDLO C=CCn1c(C2CC2)nn(CN2CCN(c3cc(C)cc[nH+]3)CC2)c1=S ZINC000165862181 984489843 /nfs/dbraw/zinc/48/98/43/984489843.db2.gz MSSSQKRQNZJRHV-UHFFFAOYSA-N 1 2 370.526 2.961 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC/C=C\CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001107545751 984664681 /nfs/dbraw/zinc/66/46/81/984664681.db2.gz MCJVGURUNUOYON-KINGKOSLSA-N 1 2 358.486 2.974 20 30 FFEDLO C=CCN1C(=O)N(CCCCn2cc[nH+]c2)C(=O)[C@@H]1Cc1ccccc1 ZINC000761128878 984823013 /nfs/dbraw/zinc/82/30/13/984823013.db2.gz YVVIQVIPWOTICP-SFHVURJKSA-N 1 2 352.438 2.725 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)o1 ZINC001088959722 985622689 /nfs/dbraw/zinc/62/26/89/985622689.db2.gz UGNLLZRAZTZDGG-QAPCUYQASA-N 1 2 369.440 2.929 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)o1 ZINC001088959722 985622700 /nfs/dbraw/zinc/62/27/00/985622700.db2.gz UGNLLZRAZTZDGG-QAPCUYQASA-N 1 2 369.440 2.929 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)cn2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088993124 985794445 /nfs/dbraw/zinc/79/44/45/985794445.db2.gz QOVXAEXNPBARAE-DYVFJYSZSA-N 1 2 354.841 2.999 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)cn2)CC[N@H+]1Cc1ccccc1C#N ZINC001088993124 985794453 /nfs/dbraw/zinc/79/44/53/985794453.db2.gz QOVXAEXNPBARAE-DYVFJYSZSA-N 1 2 354.841 2.999 20 30 FFEDLO N#Cc1cccc(OCC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000913580850 986417072 /nfs/dbraw/zinc/41/70/72/986417072.db2.gz YBUBWBBGYYAMQG-UITAMQMPSA-N 1 2 361.445 2.795 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(C)ccc1F ZINC001032677374 986426086 /nfs/dbraw/zinc/42/60/86/986426086.db2.gz IQXJPEDJHVNFRE-JPLJXNOCSA-N 1 2 358.457 2.900 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc(C)ccc1F ZINC001032677374 986426089 /nfs/dbraw/zinc/42/60/89/986426089.db2.gz IQXJPEDJHVNFRE-JPLJXNOCSA-N 1 2 358.457 2.900 20 30 FFEDLO C=CCn1c(=O)c2ccc(C(=O)NCC[N@@H+](CC)CCC)cc2[nH]c1=S ZINC000174655299 986429024 /nfs/dbraw/zinc/42/90/24/986429024.db2.gz HECAJJUVSHNZRO-UHFFFAOYSA-N 1 2 374.510 2.707 20 30 FFEDLO C=CCn1c(=O)c2ccc(C(=O)NCC[N@H+](CC)CCC)cc2[nH]c1=S ZINC000174655299 986429026 /nfs/dbraw/zinc/42/90/26/986429026.db2.gz HECAJJUVSHNZRO-UHFFFAOYSA-N 1 2 374.510 2.707 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@]23CCC[C@@H]2[N@H+](Cc2cc(F)ccc2C#N)CC3)O1 ZINC000992250929 986570354 /nfs/dbraw/zinc/57/03/54/986570354.db2.gz PNQICXKWDJMWHA-FWQLUELVSA-N 1 2 371.456 2.878 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](Cc2cc(F)ccc2C#N)CC3)O1 ZINC000992250929 986570365 /nfs/dbraw/zinc/57/03/65/986570365.db2.gz PNQICXKWDJMWHA-FWQLUELVSA-N 1 2 371.456 2.878 20 30 FFEDLO Cc1cc(C)c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)c(C)c1 ZINC001078138646 987038239 /nfs/dbraw/zinc/03/82/39/987038239.db2.gz LHCWMVXLFKBFQQ-QZTJIDSGSA-N 1 2 369.490 2.520 20 30 FFEDLO Cc1cc(C)c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)c(C)c1 ZINC001078138646 987038252 /nfs/dbraw/zinc/03/82/52/987038252.db2.gz LHCWMVXLFKBFQQ-QZTJIDSGSA-N 1 2 369.490 2.520 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[C@@H](C#N)c3ccncn3)cc2)C[C@H](C)O1 ZINC000672586627 987495910 /nfs/dbraw/zinc/49/59/10/987495910.db2.gz YPKBMHXOURGPPF-DAYGRLMNSA-N 1 2 350.422 2.576 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](CCOc2ccc(C)cc2)C1 ZINC001031078647 987580787 /nfs/dbraw/zinc/58/07/87/987580787.db2.gz SATDRXURVSDCKB-PMACEKPBSA-N 1 2 358.482 2.546 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000672781379 987593648 /nfs/dbraw/zinc/59/36/48/987593648.db2.gz IETVZOCPOASPKD-UHFFFAOYSA-N 1 2 369.465 2.875 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC001061450240 988722848 /nfs/dbraw/zinc/72/28/48/988722848.db2.gz XGWLLKGLSKJGJR-BBWFWOEESA-N 1 2 358.486 2.585 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCOCC12CCCC2 ZINC000762927899 988765569 /nfs/dbraw/zinc/76/55/69/988765569.db2.gz YEABOLLWGHYMAO-MRXNPFEDSA-N 1 2 362.433 2.869 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCOCC12CCCC2 ZINC000762927899 988765579 /nfs/dbraw/zinc/76/55/79/988765579.db2.gz YEABOLLWGHYMAO-MRXNPFEDSA-N 1 2 362.433 2.869 20 30 FFEDLO C=CCCCCCCCC(=O)N1CCCC2(C[NH+](CC(=O)N(C)C)C2)C1 ZINC001273089029 989144960 /nfs/dbraw/zinc/14/49/60/989144960.db2.gz FRDQDTFGBHFUGN-UHFFFAOYSA-N 1 2 363.546 2.916 20 30 FFEDLO CO[C@H]1C[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)Cc3cccnc3N2C1 ZINC000879272341 1015452699 /nfs/dbraw/zinc/45/26/99/1015452699.db2.gz MXBQWLWBXAKULO-MSOLQXFVSA-N 1 2 352.413 2.702 20 30 FFEDLO CO[C@H]1C[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)Cc3cccnc3N2C1 ZINC000879272341 1015452706 /nfs/dbraw/zinc/45/27/06/1015452706.db2.gz MXBQWLWBXAKULO-MSOLQXFVSA-N 1 2 352.413 2.702 20 30 FFEDLO C[NH+]1CCN(c2cccc(Cl)c2CN=Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000915967818 989716288 /nfs/dbraw/zinc/71/62/88/989716288.db2.gz BLSGDBOPSGNTFK-UHFFFAOYSA-N 1 2 374.832 2.841 20 30 FFEDLO CCNc1nc(N=NC(C)c2ccc(-n3cc[nH+]c3)cc2)nc(NCC)n1 ZINC000916306697 989772885 /nfs/dbraw/zinc/77/28/85/989772885.db2.gz VDGOBHSADJXVAP-UHFFFAOYSA-N 1 2 365.445 2.757 20 30 FFEDLO C[C@@H](CCCCNc1ncccc1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001090153074 989813964 /nfs/dbraw/zinc/81/39/64/989813964.db2.gz FDVUDIFNDZYAHJ-USXIJHARSA-N 1 2 366.469 2.577 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ccc(F)c(F)c3)C[C@@H]2O)CC1 ZINC001083751289 989975350 /nfs/dbraw/zinc/97/53/50/989975350.db2.gz OXVYWYBZVMZHKH-ZNOIYHFQSA-N 1 2 364.436 2.934 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ccc(F)c(F)c3)C[C@@H]2O)CC1 ZINC001083751289 989975356 /nfs/dbraw/zinc/97/53/56/989975356.db2.gz OXVYWYBZVMZHKH-ZNOIYHFQSA-N 1 2 364.436 2.934 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3nc4ccccc4o3)C[C@@H]2O)CC1 ZINC001083754387 990144778 /nfs/dbraw/zinc/14/47/78/990144778.db2.gz ORMXZZPGQHAQLJ-OLMNPRSZSA-N 1 2 369.465 2.797 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3nc4ccccc4o3)C[C@@H]2O)CC1 ZINC001083754387 990144782 /nfs/dbraw/zinc/14/47/82/990144782.db2.gz ORMXZZPGQHAQLJ-OLMNPRSZSA-N 1 2 369.465 2.797 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C(C)(C)C2)CC1 ZINC001008276961 1015559805 /nfs/dbraw/zinc/55/98/05/1015559805.db2.gz HESSQXLKWQNCER-JFIYKMOQSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C(C)(C)C2)CC1 ZINC001008276961 1015559812 /nfs/dbraw/zinc/55/98/12/1015559812.db2.gz HESSQXLKWQNCER-JFIYKMOQSA-N 1 2 370.497 2.613 20 30 FFEDLO CN(C(=O)C[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1)C1(C#N)CCCCC1 ZINC000879498208 1015562360 /nfs/dbraw/zinc/56/23/60/1015562360.db2.gz OMNIASPTLYTLDU-GOSISDBHSA-N 1 2 367.497 2.551 20 30 FFEDLO CN(C(=O)C[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1)C1(C#N)CCCCC1 ZINC000879498208 1015562365 /nfs/dbraw/zinc/56/23/65/1015562365.db2.gz OMNIASPTLYTLDU-GOSISDBHSA-N 1 2 367.497 2.551 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@H]1NC(=O)C#CC(C)C ZINC001212241461 990684101 /nfs/dbraw/zinc/68/41/01/990684101.db2.gz RSDDRSDWBYECKH-IAGOWNOFSA-N 1 2 368.399 2.680 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@H]1NC(=O)C#CC(C)C ZINC001212241461 990684104 /nfs/dbraw/zinc/68/41/04/990684104.db2.gz RSDDRSDWBYECKH-IAGOWNOFSA-N 1 2 368.399 2.680 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC001031679781 990942609 /nfs/dbraw/zinc/94/26/09/990942609.db2.gz IYYYEDQCXOYAJZ-LESCRADOSA-N 1 2 369.465 2.918 20 30 FFEDLO C=CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001060755883 991310399 /nfs/dbraw/zinc/31/03/99/991310399.db2.gz UBWKDGSCEOKOPW-QBPKDAKJSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001060755883 991310409 /nfs/dbraw/zinc/31/04/09/991310409.db2.gz UBWKDGSCEOKOPW-QBPKDAKJSA-N 1 2 358.486 2.661 20 30 FFEDLO C[C@H](C#N)Oc1ccc(CNc2ccc[nH+]c2N2CCC(O)CC2)cc1 ZINC000180298114 991472626 /nfs/dbraw/zinc/47/26/26/991472626.db2.gz JPKIFEIBQJOSFY-OAHLLOKOSA-N 1 2 352.438 2.946 20 30 FFEDLO N#C[C@@H](C(=O)C[NH+]1CCC2(CCC2)CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000796514329 1015650877 /nfs/dbraw/zinc/65/08/77/1015650877.db2.gz AHHKKDCRTNQHCE-HNNXBMFYSA-N 1 2 350.422 2.778 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001212324978 991683654 /nfs/dbraw/zinc/68/36/54/991683654.db2.gz MUOXKCOXCZVPNN-QZTJIDSGSA-N 1 2 359.445 2.615 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001212324978 991683658 /nfs/dbraw/zinc/68/36/58/991683658.db2.gz MUOXKCOXCZVPNN-QZTJIDSGSA-N 1 2 359.445 2.615 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2sccc2C)C1 ZINC001079122787 991777653 /nfs/dbraw/zinc/77/76/53/991777653.db2.gz SOIRPDOJLQBEBP-RTBURBONSA-N 1 2 368.502 2.767 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2sccc2C)C1 ZINC001079122787 991777660 /nfs/dbraw/zinc/77/76/60/991777660.db2.gz SOIRPDOJLQBEBP-RTBURBONSA-N 1 2 368.502 2.767 20 30 FFEDLO Cc1cc(C)c(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NCC#N)C2)c(C)[nH+]1 ZINC001079192358 991905597 /nfs/dbraw/zinc/90/55/97/991905597.db2.gz BZMKAIGLEDTGHZ-RBUKOAKNSA-N 1 2 366.440 2.867 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COc3cc(F)ccc3C2)C1 ZINC001079695369 992330650 /nfs/dbraw/zinc/33/06/50/992330650.db2.gz VNFGJUFBCDKYJJ-DJSGYFEHSA-N 1 2 352.837 2.566 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COc3cc(F)ccc3C2)C1 ZINC001079695369 992330658 /nfs/dbraw/zinc/33/06/58/992330658.db2.gz VNFGJUFBCDKYJJ-DJSGYFEHSA-N 1 2 352.837 2.566 20 30 FFEDLO COCc1noc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)n1 ZINC000183174356 992374813 /nfs/dbraw/zinc/37/48/13/992374813.db2.gz QQTGOQAGNIHDJO-UHFFFAOYSA-N 1 2 368.393 2.632 20 30 FFEDLO CC(=O)[C@](C#N)(CC[NH+]1CCN(c2ccc(C#N)nc2)CC1)c1ccccc1 ZINC000879926843 1015709761 /nfs/dbraw/zinc/70/97/61/1015709761.db2.gz FURKAAWGTHZHEK-JOCHJYFZSA-N 1 2 373.460 2.516 20 30 FFEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@@H]1C[C@H]1c1ccco1 ZINC001031994237 992550271 /nfs/dbraw/zinc/55/02/71/992550271.db2.gz RSFDNYIKCDUXSJ-RTBURBONSA-N 1 2 352.409 2.622 20 30 FFEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3c3ccco3)C2)cc1F ZINC001031994443 992552912 /nfs/dbraw/zinc/55/29/12/992552912.db2.gz YNABBJBRLZYVSJ-IAGOWNOFSA-N 1 2 353.397 2.642 20 30 FFEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000967650020 1015720809 /nfs/dbraw/zinc/72/08/09/1015720809.db2.gz ZCNGMXFSQGMIQF-GVDBMIGSSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000967650020 1015720814 /nfs/dbraw/zinc/72/08/14/1015720814.db2.gz ZCNGMXFSQGMIQF-GVDBMIGSSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)on2)C[C@H]1C ZINC001079977817 992638185 /nfs/dbraw/zinc/63/81/85/992638185.db2.gz KWRCQIBGGORWHD-RDTXWAMCSA-N 1 2 355.438 2.798 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)on2)C[C@H]1C ZINC001079977817 992638189 /nfs/dbraw/zinc/63/81/89/992638189.db2.gz KWRCQIBGGORWHD-RDTXWAMCSA-N 1 2 355.438 2.798 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC001080074223 992708492 /nfs/dbraw/zinc/70/84/92/992708492.db2.gz KXZODNXAHSUUPX-HQQWDMGQSA-N 1 2 355.265 2.833 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC001080074223 992708496 /nfs/dbraw/zinc/70/84/96/992708496.db2.gz KXZODNXAHSUUPX-HQQWDMGQSA-N 1 2 355.265 2.833 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1conc1C1CC1 ZINC001080415419 993041625 /nfs/dbraw/zinc/04/16/25/993041625.db2.gz QOFDSRGRSWBIRU-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1conc1C1CC1 ZINC001080415419 993041628 /nfs/dbraw/zinc/04/16/28/993041628.db2.gz QOFDSRGRSWBIRU-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO Cc1nccnc1[C@H](C)[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000880106802 1015757239 /nfs/dbraw/zinc/75/72/39/1015757239.db2.gz NICQQBFGBJGEAN-DZGCQCFKSA-N 1 2 358.405 2.673 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1cc(C2CC2)no1 ZINC001080535401 993146877 /nfs/dbraw/zinc/14/68/77/993146877.db2.gz JZOMZQSCGQPXOQ-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1cc(C2CC2)no1 ZINC001080535401 993146882 /nfs/dbraw/zinc/14/68/82/993146882.db2.gz JZOMZQSCGQPXOQ-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)c(C)o1 ZINC001080600601 993221515 /nfs/dbraw/zinc/22/15/15/993221515.db2.gz JVBJJYISNSFTPM-CXAGYDPISA-N 1 2 352.438 2.667 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)c(C)o1 ZINC001080600601 993221523 /nfs/dbraw/zinc/22/15/23/993221523.db2.gz JVBJJYISNSFTPM-CXAGYDPISA-N 1 2 352.438 2.667 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cnoc1C1CC1 ZINC001080706176 993295894 /nfs/dbraw/zinc/29/58/94/993295894.db2.gz GJGJCSWYGAFGJC-AUUYWEPGSA-N 1 2 367.424 2.793 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cnoc1C1CC1 ZINC001080706176 993295898 /nfs/dbraw/zinc/29/58/98/993295898.db2.gz GJGJCSWYGAFGJC-AUUYWEPGSA-N 1 2 367.424 2.793 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cc(Cl)no1 ZINC001080823803 993396912 /nfs/dbraw/zinc/39/69/12/993396912.db2.gz KFAJWLIMEWAJKQ-QMTHXVAHSA-N 1 2 362.792 2.589 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cc(Cl)no1 ZINC001080823803 993396914 /nfs/dbraw/zinc/39/69/14/993396914.db2.gz KFAJWLIMEWAJKQ-QMTHXVAHSA-N 1 2 362.792 2.589 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001081159818 993707953 /nfs/dbraw/zinc/70/79/53/993707953.db2.gz FADNSVWDAUOIGM-DLBZAZTESA-N 1 2 354.454 2.674 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ccsc1C ZINC001081639200 993898643 /nfs/dbraw/zinc/89/86/43/993898643.db2.gz IJLASPUYBXAFRJ-HZPDHXFCSA-N 1 2 361.492 2.619 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ccsc1C ZINC001081639200 993898650 /nfs/dbraw/zinc/89/86/50/993898650.db2.gz IJLASPUYBXAFRJ-HZPDHXFCSA-N 1 2 361.492 2.619 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1sc(C)cc1C ZINC001081739761 993942706 /nfs/dbraw/zinc/94/27/06/993942706.db2.gz YSMLKZPAIHXDRR-QZTJIDSGSA-N 1 2 369.490 2.866 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1sc(C)cc1C ZINC001081739761 993942719 /nfs/dbraw/zinc/94/27/19/993942719.db2.gz YSMLKZPAIHXDRR-QZTJIDSGSA-N 1 2 369.490 2.866 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[C@H]1CC=CCC1 ZINC001082029217 994127458 /nfs/dbraw/zinc/12/74/58/994127458.db2.gz MSDJAGWNYQZJSF-CWFSZBLJSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[C@H]1CC=CCC1 ZINC001082029217 994127466 /nfs/dbraw/zinc/12/74/66/994127466.db2.gz MSDJAGWNYQZJSF-CWFSZBLJSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccc(F)c(C)c1 ZINC001082085344 994167741 /nfs/dbraw/zinc/16/77/41/994167741.db2.gz ZAKIAGMKGVDRMD-WOJBJXKFSA-N 1 2 367.424 2.635 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccc(F)c(C)c1 ZINC001082085344 994167749 /nfs/dbraw/zinc/16/77/49/994167749.db2.gz ZAKIAGMKGVDRMD-WOJBJXKFSA-N 1 2 367.424 2.635 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001082114123 994196700 /nfs/dbraw/zinc/19/67/00/994196700.db2.gz DYUJKEKJHIPOLA-YUFWVBKYSA-N 1 2 359.495 2.515 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001082114123 994196714 /nfs/dbraw/zinc/19/67/14/994196714.db2.gz DYUJKEKJHIPOLA-YUFWVBKYSA-N 1 2 359.495 2.515 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@]12C[C@H]1CCCC2 ZINC001082114697 994197678 /nfs/dbraw/zinc/19/76/78/994197678.db2.gz PUTMZEBTGIQASI-XLBJILASSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@]12C[C@H]1CCCC2 ZINC001082114697 994197689 /nfs/dbraw/zinc/19/76/89/994197689.db2.gz PUTMZEBTGIQASI-XLBJILASSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CC12CCCC2 ZINC001082302516 994350156 /nfs/dbraw/zinc/35/01/56/994350156.db2.gz OQDIGCJZQBKHTP-BRWVUGGUSA-N 1 2 359.495 2.515 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CC12CCCC2 ZINC001082302516 994350165 /nfs/dbraw/zinc/35/01/65/994350165.db2.gz OQDIGCJZQBKHTP-BRWVUGGUSA-N 1 2 359.495 2.515 20 30 FFEDLO CCc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2OC)cc1 ZINC001082353196 994444904 /nfs/dbraw/zinc/44/49/04/994444904.db2.gz KAMPRTSWSMMYBR-RTBURBONSA-N 1 2 369.490 2.811 20 30 FFEDLO CCc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2OC)cc1 ZINC001082353196 994444909 /nfs/dbraw/zinc/44/49/09/994444909.db2.gz KAMPRTSWSMMYBR-RTBURBONSA-N 1 2 369.490 2.811 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C1CCC=CCC1 ZINC001082375018 994477831 /nfs/dbraw/zinc/47/78/31/994477831.db2.gz ZUYZZMHAFFTPGL-WOJBJXKFSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C1CCC=CCC1 ZINC001082375018 994477842 /nfs/dbraw/zinc/47/78/42/994477842.db2.gz ZUYZZMHAFFTPGL-WOJBJXKFSA-N 1 2 371.456 2.759 20 30 FFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000679133031 1015891593 /nfs/dbraw/zinc/89/15/93/1015891593.db2.gz LFCSRUOTKBNMQJ-UHFFFAOYSA-N 1 2 350.422 2.819 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C(C)C)no2)C1 ZINC001082533228 994839638 /nfs/dbraw/zinc/83/96/38/994839638.db2.gz OSELGXNZZVUNII-DGCLKSJQSA-N 1 2 354.882 2.908 20 30 FFEDLO C=CCC[C@@H](CCC)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)[nH+]c1 ZINC000679149864 1015901568 /nfs/dbraw/zinc/90/15/68/1015901568.db2.gz VELMFGOKUHVFFS-MRXNPFEDSA-N 1 2 366.531 2.710 20 30 FFEDLO Cc1cc(N2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC001049352517 1015929317 /nfs/dbraw/zinc/92/93/17/1015929317.db2.gz UDXIDCFCCVLUFW-MSOLQXFVSA-N 1 2 352.482 2.607 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1-n1cccn1)C2 ZINC001097928518 1015937884 /nfs/dbraw/zinc/93/78/84/1015937884.db2.gz GJZLDGGZFPZLCV-KYJSFNMBSA-N 1 2 356.857 2.960 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1-n1cccn1)C2 ZINC001097928518 1015937893 /nfs/dbraw/zinc/93/78/93/1015937893.db2.gz GJZLDGGZFPZLCV-KYJSFNMBSA-N 1 2 356.857 2.960 20 30 FFEDLO C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082759473 995429908 /nfs/dbraw/zinc/42/99/08/995429908.db2.gz NHWCBDCHCXRIBL-CWTRNNRKSA-N 1 2 367.428 2.548 20 30 FFEDLO CCOC(=O)c1c[nH+]c2ccccc2c1NCCNc1ccc(C#N)cn1 ZINC000747803311 995508819 /nfs/dbraw/zinc/50/88/19/995508819.db2.gz JQTMRHWOBOIJIH-UHFFFAOYSA-N 1 2 361.405 2.624 20 30 FFEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000812839029 995549271 /nfs/dbraw/zinc/54/92/71/995549271.db2.gz DKVNMSOTTNRTLO-CYBMUJFWSA-N 1 2 370.375 2.784 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001096523395 1015973965 /nfs/dbraw/zinc/97/39/65/1015973965.db2.gz YEBFQNKZQXOANO-QYZOEREBSA-N 1 2 363.461 2.932 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001096523395 1015973974 /nfs/dbraw/zinc/97/39/74/1015973974.db2.gz YEBFQNKZQXOANO-QYZOEREBSA-N 1 2 363.461 2.932 20 30 FFEDLO CC(C)CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC001082982683 995951515 /nfs/dbraw/zinc/95/15/15/995951515.db2.gz GCOSANFBHNHBQY-RBUKOAKNSA-N 1 2 360.885 2.649 20 30 FFEDLO CC(C)CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC001082982683 995951518 /nfs/dbraw/zinc/95/15/18/995951518.db2.gz GCOSANFBHNHBQY-RBUKOAKNSA-N 1 2 360.885 2.649 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001083140402 996098346 /nfs/dbraw/zinc/09/83/46/996098346.db2.gz CFCUNYPPNHYVHF-ZJPYXAASSA-N 1 2 373.522 2.714 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001083140402 996098350 /nfs/dbraw/zinc/09/83/50/996098350.db2.gz CFCUNYPPNHYVHF-ZJPYXAASSA-N 1 2 373.522 2.714 20 30 FFEDLO CC(C)c1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)s1 ZINC001084101188 996253175 /nfs/dbraw/zinc/25/31/75/996253175.db2.gz ASFTZJKXTSAVPA-SJORKVTESA-N 1 2 369.490 2.718 20 30 FFEDLO CC(C)c1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)s1 ZINC001084101188 996253182 /nfs/dbraw/zinc/25/31/82/996253182.db2.gz ASFTZJKXTSAVPA-SJORKVTESA-N 1 2 369.490 2.718 20 30 FFEDLO O=C(c1cccnc1)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084154889 996285244 /nfs/dbraw/zinc/28/52/44/996285244.db2.gz BYQOCAIXYAJOTA-UYAOXDASSA-N 1 2 365.864 2.933 20 30 FFEDLO O=C(c1cccnc1)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084154889 996285250 /nfs/dbraw/zinc/28/52/50/996285250.db2.gz BYQOCAIXYAJOTA-UYAOXDASSA-N 1 2 365.864 2.933 20 30 FFEDLO Cc1cccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)n1 ZINC001084194779 996326781 /nfs/dbraw/zinc/32/67/81/996326781.db2.gz DNJDEIWFGBQVCK-RDTXWAMCSA-N 1 2 352.463 2.670 20 30 FFEDLO Cc1cccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)n1 ZINC001084194779 996326789 /nfs/dbraw/zinc/32/67/89/996326789.db2.gz DNJDEIWFGBQVCK-RDTXWAMCSA-N 1 2 352.463 2.670 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)CC4CCOCC4)[C@@H]3C2)c1 ZINC001084242679 996348636 /nfs/dbraw/zinc/34/86/36/996348636.db2.gz DHKJRVTZUWNZEA-YLJYHZDGSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)CC4CCOCC4)[C@@H]3C2)c1 ZINC001084242679 996348641 /nfs/dbraw/zinc/34/86/41/996348641.db2.gz DHKJRVTZUWNZEA-YLJYHZDGSA-N 1 2 371.456 2.547 20 30 FFEDLO O=C(c1cscn1)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084227872 996376685 /nfs/dbraw/zinc/37/66/85/996376685.db2.gz QWVLQQFLAPBUBJ-CRAIPNDOSA-N 1 2 371.893 2.995 20 30 FFEDLO O=C(c1cscn1)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084227872 996376690 /nfs/dbraw/zinc/37/66/90/996376690.db2.gz QWVLQQFLAPBUBJ-CRAIPNDOSA-N 1 2 371.893 2.995 20 30 FFEDLO Cc1nc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)[C@@H]3C2)sc1C(C)(C)C ZINC001084231883 996380473 /nfs/dbraw/zinc/38/04/73/996380473.db2.gz NYDHBWSWDPWMLL-BPLDGKMQSA-N 1 2 360.527 2.941 20 30 FFEDLO Cc1nc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)[C@@H]3C2)sc1C(C)(C)C ZINC001084231883 996380480 /nfs/dbraw/zinc/38/04/80/996380480.db2.gz NYDHBWSWDPWMLL-BPLDGKMQSA-N 1 2 360.527 2.941 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21)n1cccc1 ZINC001084285598 996390564 /nfs/dbraw/zinc/39/05/64/996390564.db2.gz JDSWVLJOPUVUFE-XAUMDUMWSA-N 1 2 366.440 2.793 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21)n1cccc1 ZINC001084285598 996390567 /nfs/dbraw/zinc/39/05/67/996390567.db2.gz JDSWVLJOPUVUFE-XAUMDUMWSA-N 1 2 366.440 2.793 20 30 FFEDLO CCc1nc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)co1 ZINC001084294391 996398888 /nfs/dbraw/zinc/39/88/88/996398888.db2.gz OLWKIYOLOSKEQE-VQIMIIECSA-N 1 2 367.424 2.574 20 30 FFEDLO CCc1nc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)co1 ZINC001084294391 996398894 /nfs/dbraw/zinc/39/88/94/996398894.db2.gz OLWKIYOLOSKEQE-VQIMIIECSA-N 1 2 367.424 2.574 20 30 FFEDLO Cc1cnccc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084328406 996457671 /nfs/dbraw/zinc/45/76/71/996457671.db2.gz ZVSLWPAIMCQGCC-WIYYLYMNSA-N 1 2 363.436 2.727 20 30 FFEDLO Cc1cnccc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084328406 996457675 /nfs/dbraw/zinc/45/76/75/996457675.db2.gz ZVSLWPAIMCQGCC-WIYYLYMNSA-N 1 2 363.436 2.727 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C4CC4)no3)C[C@H]21 ZINC001084354107 996480707 /nfs/dbraw/zinc/48/07/07/996480707.db2.gz PNAJXCHFJKVVHP-QOJCHSLYSA-N 1 2 371.481 2.566 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C4CC4)no3)C[C@H]21 ZINC001084354107 996480711 /nfs/dbraw/zinc/48/07/11/996480711.db2.gz PNAJXCHFJKVVHP-QOJCHSLYSA-N 1 2 371.481 2.566 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3c3ccccc3)[C@@H]2C1 ZINC001084396898 996540240 /nfs/dbraw/zinc/54/02/40/996540240.db2.gz SQVONCSDKZIYKE-BHIYHBOVSA-N 1 2 359.901 2.941 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3c3ccccc3)[C@@H]2C1 ZINC001084396898 996540245 /nfs/dbraw/zinc/54/02/45/996540245.db2.gz SQVONCSDKZIYKE-BHIYHBOVSA-N 1 2 359.901 2.941 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4ccccc4c(=O)[nH]3)[C@@H]2C1 ZINC001084406956 996549563 /nfs/dbraw/zinc/54/95/63/996549563.db2.gz ASUYDGLMVBAXKO-RHSMWYFYSA-N 1 2 357.841 2.839 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4ccccc4c(=O)[nH]3)[C@@H]2C1 ZINC001084406956 996549567 /nfs/dbraw/zinc/54/95/67/996549567.db2.gz ASUYDGLMVBAXKO-RHSMWYFYSA-N 1 2 357.841 2.839 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C(C)C)nn3CC)[C@@H]2C1 ZINC001084482503 996602340 /nfs/dbraw/zinc/60/23/40/996602340.db2.gz XHWUHSUAGSFUJL-RHSMWYFYSA-N 1 2 350.894 2.925 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C(C)C)nn3CC)[C@@H]2C1 ZINC001084482503 996602343 /nfs/dbraw/zinc/60/23/43/996602343.db2.gz XHWUHSUAGSFUJL-RHSMWYFYSA-N 1 2 350.894 2.925 20 30 FFEDLO O=C(c1occ2c1CCC2)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084548232 996668101 /nfs/dbraw/zinc/66/81/01/996668101.db2.gz FDIJSJANDFSNHA-WIYYLYMNSA-N 1 2 360.457 2.966 20 30 FFEDLO O=C(c1occ2c1CCC2)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084548232 996668105 /nfs/dbraw/zinc/66/81/05/996668105.db2.gz FDIJSJANDFSNHA-WIYYLYMNSA-N 1 2 360.457 2.966 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001084571366 996684227 /nfs/dbraw/zinc/68/42/27/996684227.db2.gz SCHABXZXMLKKNO-SJLPKXTDSA-N 1 2 355.482 2.760 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001084571366 996684228 /nfs/dbraw/zinc/68/42/28/996684228.db2.gz SCHABXZXMLKKNO-SJLPKXTDSA-N 1 2 355.482 2.760 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21)C(F)(F)F ZINC001084581249 996695023 /nfs/dbraw/zinc/69/50/23/996695023.db2.gz DUEMXFPPIXKNNB-SGIREYDYSA-N 1 2 369.362 2.928 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21)C(F)(F)F ZINC001084581249 996695026 /nfs/dbraw/zinc/69/50/26/996695026.db2.gz DUEMXFPPIXKNNB-SGIREYDYSA-N 1 2 369.362 2.928 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C4CC5(CC5)C4)[C@@H]3C2)c(F)c1 ZINC001084651529 996763098 /nfs/dbraw/zinc/76/30/98/996763098.db2.gz PVWVSXWHGPISLV-VQIMIIECSA-N 1 2 353.441 2.920 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C4CC5(CC5)C4)[C@@H]3C2)c(F)c1 ZINC001084651529 996763102 /nfs/dbraw/zinc/76/31/02/996763102.db2.gz PVWVSXWHGPISLV-VQIMIIECSA-N 1 2 353.441 2.920 20 30 FFEDLO Cn1cc(NC(=[NH2+])c2ccc3ccccc3n2)c(Br)cc1=O ZINC001171048259 996813197 /nfs/dbraw/zinc/81/31/97/996813197.db2.gz MZKTZRUFLBGUKK-UHFFFAOYSA-N 1 2 357.211 2.733 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CCCOC2)C3)c1 ZINC001096561318 1016143219 /nfs/dbraw/zinc/14/32/19/1016143219.db2.gz LQODAVOXDKMGSB-BEKAIBRUSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CCCOC2)C3)c1 ZINC001096561318 1016143226 /nfs/dbraw/zinc/14/32/26/1016143226.db2.gz LQODAVOXDKMGSB-BEKAIBRUSA-N 1 2 371.456 2.736 20 30 FFEDLO CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1C#N ZINC000844139323 997681967 /nfs/dbraw/zinc/68/19/67/997681967.db2.gz YEJGQGJNDZUZIT-GFCCVEGCSA-N 1 2 353.382 2.524 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4c3CCCC4)[C@@H]2C1 ZINC001084873176 997758273 /nfs/dbraw/zinc/75/82/73/997758273.db2.gz TVWHVZLSAAVUKA-CXAGYDPISA-N 1 2 361.873 2.565 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4c3CCCC4)[C@@H]2C1 ZINC001084873176 997758285 /nfs/dbraw/zinc/75/82/85/997758285.db2.gz TVWHVZLSAAVUKA-CXAGYDPISA-N 1 2 361.873 2.565 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)c2cccc(C#N)c2)c(C#N)c1C ZINC000844366010 997836884 /nfs/dbraw/zinc/83/68/84/997836884.db2.gz KQYMLYPRKCQBDR-ACJLOTCBSA-N 1 2 366.421 2.632 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c(C#N)c1C ZINC000844366010 997836908 /nfs/dbraw/zinc/83/69/08/997836908.db2.gz KQYMLYPRKCQBDR-ACJLOTCBSA-N 1 2 366.421 2.632 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4cncs4)C[C@@H]32)c(F)c1 ZINC001084898592 997936687 /nfs/dbraw/zinc/93/66/87/997936687.db2.gz XCPQNKHQOCDRDK-PBHICJAKSA-N 1 2 370.453 2.890 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4cncs4)C[C@@H]32)c(F)c1 ZINC001084898592 997936692 /nfs/dbraw/zinc/93/66/92/997936692.db2.gz XCPQNKHQOCDRDK-PBHICJAKSA-N 1 2 370.453 2.890 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2cncc(C#N)c2)Cc2ncn(CC3CC3)c21 ZINC001144075593 997990243 /nfs/dbraw/zinc/99/02/43/997990243.db2.gz QHNIOGMOMWUMDM-SFHVURJKSA-N 1 2 351.454 2.696 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)Cc2ncn(CC3CC3)c21 ZINC001144075593 997990257 /nfs/dbraw/zinc/99/02/57/997990257.db2.gz QHNIOGMOMWUMDM-SFHVURJKSA-N 1 2 351.454 2.696 20 30 FFEDLO CCN(Cc1ccc(C#N)cn1)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001144169351 998107926 /nfs/dbraw/zinc/10/79/26/998107926.db2.gz GUAIWFZOMIMFCO-NRFANRHFSA-N 1 2 350.466 2.676 20 30 FFEDLO CCN(Cc1ccc(C#N)cn1)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001144169351 998107930 /nfs/dbraw/zinc/10/79/30/998107930.db2.gz GUAIWFZOMIMFCO-NRFANRHFSA-N 1 2 350.466 2.676 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001000074095 1016223632 /nfs/dbraw/zinc/22/36/32/1016223632.db2.gz ZLVSNOUMWVKJPR-RXYDEIHYSA-N 1 2 368.481 2.508 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001000074095 1016223638 /nfs/dbraw/zinc/22/36/38/1016223638.db2.gz ZLVSNOUMWVKJPR-RXYDEIHYSA-N 1 2 368.481 2.508 20 30 FFEDLO C[C@H](CC(=O)OCCOc1c(C#N)cnc2ccccc21)n1cc[nH+]c1 ZINC000845462098 998547380 /nfs/dbraw/zinc/54/73/80/998547380.db2.gz HHYXANSDPWUCDV-CQSZACIVSA-N 1 2 350.378 2.876 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3occ4c3CCOC4)C[C@@H]21 ZINC001084998708 998608183 /nfs/dbraw/zinc/60/81/83/998608183.db2.gz BBNAARRHLWELCB-CJNGLKHVSA-N 1 2 350.846 2.641 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3occ4c3CCOC4)C[C@@H]21 ZINC001084998708 998608185 /nfs/dbraw/zinc/60/81/85/998608185.db2.gz BBNAARRHLWELCB-CJNGLKHVSA-N 1 2 350.846 2.641 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nccc(C)n4)[C@H]3C2)CC1 ZINC001085023582 998699733 /nfs/dbraw/zinc/69/97/33/998699733.db2.gz LBPVKRNPBRBPSG-MJGOQNOKSA-N 1 2 354.498 2.954 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4nccc(C)n4)[C@H]3C2)CC1 ZINC001085023582 998699734 /nfs/dbraw/zinc/69/97/34/998699734.db2.gz LBPVKRNPBRBPSG-MJGOQNOKSA-N 1 2 354.498 2.954 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)C3(CF)CCC3)C[C@@H]21 ZINC001085037138 998740369 /nfs/dbraw/zinc/74/03/69/998740369.db2.gz KITVXFPZWGOCKO-KGLIPLIRSA-N 1 2 359.283 2.958 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3(CF)CCC3)C[C@@H]21 ZINC001085037138 998740375 /nfs/dbraw/zinc/74/03/75/998740375.db2.gz KITVXFPZWGOCKO-KGLIPLIRSA-N 1 2 359.283 2.958 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000734171226 999220116 /nfs/dbraw/zinc/22/01/16/999220116.db2.gz GADOKDCQFHPJPV-UHFFFAOYSA-N 1 2 369.490 2.788 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066278513 999578765 /nfs/dbraw/zinc/57/87/65/999578765.db2.gz NGENGKXLNJQBBD-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066278513 999578768 /nfs/dbraw/zinc/57/87/68/999578768.db2.gz NGENGKXLNJQBBD-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCCC1(C(=O)N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC001066278956 999579688 /nfs/dbraw/zinc/57/96/88/999579688.db2.gz RSWQWMGDNFAOSA-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCCC1(C(=O)N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC001066278956 999579691 /nfs/dbraw/zinc/57/96/91/999579691.db2.gz RSWQWMGDNFAOSA-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085599834 999585854 /nfs/dbraw/zinc/58/58/54/999585854.db2.gz CAYGHTUXGUNNTM-HBMCJLEFSA-N 1 2 352.478 2.552 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085599834 999585860 /nfs/dbraw/zinc/58/58/60/999585860.db2.gz CAYGHTUXGUNNTM-HBMCJLEFSA-N 1 2 352.478 2.552 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085600215 999586316 /nfs/dbraw/zinc/58/63/16/999586316.db2.gz MXPPXDFGTBROFI-NSHGMRRFSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085600215 999586319 /nfs/dbraw/zinc/58/63/19/999586319.db2.gz MXPPXDFGTBROFI-NSHGMRRFSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC001085823838 999644279 /nfs/dbraw/zinc/64/42/79/999644279.db2.gz SLTLUTBJMSSHOZ-KSZLIROESA-N 1 2 350.409 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(F)cc(F)c1 ZINC001085823838 999644283 /nfs/dbraw/zinc/64/42/83/999644283.db2.gz SLTLUTBJMSSHOZ-KSZLIROESA-N 1 2 350.409 2.589 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1conc1CC ZINC001085862776 999659170 /nfs/dbraw/zinc/65/91/70/999659170.db2.gz IITNNVVSSAHPQP-AOIWGVFYSA-N 1 2 361.486 2.641 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1conc1CC ZINC001085862776 999659173 /nfs/dbraw/zinc/65/91/73/999659173.db2.gz IITNNVVSSAHPQP-AOIWGVFYSA-N 1 2 361.486 2.641 20 30 FFEDLO Cn1cc(CCO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)cn1 ZINC000740872954 999688455 /nfs/dbraw/zinc/68/84/55/999688455.db2.gz SINNHLWSSPCDPH-UHFFFAOYSA-N 1 2 350.422 2.879 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1 ZINC000741228527 999714818 /nfs/dbraw/zinc/71/48/18/999714818.db2.gz STGHZAUSKFODDE-IBGZPJMESA-N 1 2 356.466 2.837 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1 ZINC000741228527 999714819 /nfs/dbraw/zinc/71/48/19/999714819.db2.gz STGHZAUSKFODDE-IBGZPJMESA-N 1 2 356.466 2.837 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CCNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001066386025 999756584 /nfs/dbraw/zinc/75/65/84/999756584.db2.gz VKPOHVXZAZIAFC-NXHRZFHOSA-N 1 2 370.497 2.904 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@@H]2CCCN(c3ccc(C)cc3)C2=O)cc1 ZINC000742355191 999769362 /nfs/dbraw/zinc/76/93/62/999769362.db2.gz ZOTHSIRTJHVYMW-GOSISDBHSA-N 1 2 353.422 2.836 20 30 FFEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@](C)(CC)CCCCCC)CC1 ZINC000742642945 999781473 /nfs/dbraw/zinc/78/14/73/999781473.db2.gz VDVPXUULQOEADX-OAQYLSRUSA-N 1 2 363.546 2.657 20 30 FFEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@](C)(CC)CCCCCC)CC1 ZINC000742642945 999781474 /nfs/dbraw/zinc/78/14/74/999781474.db2.gz VDVPXUULQOEADX-OAQYLSRUSA-N 1 2 363.546 2.657 20 30 FFEDLO C=CCn1nnn(C[N@H+](CC)CC2CCN(c3ccccn3)CC2)c1=S ZINC000743400956 999816612 /nfs/dbraw/zinc/81/66/12/999816612.db2.gz TUYUFGZBDSEARK-UHFFFAOYSA-N 1 2 373.530 2.586 20 30 FFEDLO C=CCn1nnn(C[N@@H+](CC)CC2CCN(c3ccccn3)CC2)c1=S ZINC000743400956 999816615 /nfs/dbraw/zinc/81/66/15/999816615.db2.gz TUYUFGZBDSEARK-UHFFFAOYSA-N 1 2 373.530 2.586 20 30 FFEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000744153802 999845161 /nfs/dbraw/zinc/84/51/61/999845161.db2.gz IFAVITAIMZSUNA-FQEVSTJZSA-N 1 2 363.461 2.838 20 30 FFEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000744153802 999845165 /nfs/dbraw/zinc/84/51/65/999845165.db2.gz IFAVITAIMZSUNA-FQEVSTJZSA-N 1 2 363.461 2.838 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000745081079 999894093 /nfs/dbraw/zinc/89/40/93/999894093.db2.gz FQYHNJOPMHLJBK-MJGOQNOKSA-N 1 2 371.481 2.966 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC000745081079 999894095 /nfs/dbraw/zinc/89/40/95/999894095.db2.gz FQYHNJOPMHLJBK-MJGOQNOKSA-N 1 2 371.481 2.966 20 30 FFEDLO N#CCC(=O)Nc1nc2ccccc2nc1NCCc1cn2ccccc2[nH+]1 ZINC001169003317 1000014668 /nfs/dbraw/zinc/01/46/68/1000014668.db2.gz YABLPDWJQSBZMQ-UHFFFAOYSA-N 1 2 371.404 2.784 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109028270 1000152449 /nfs/dbraw/zinc/15/24/49/1000152449.db2.gz OCZADIVDCLIRPA-FCDRMGDPSA-N 1 2 353.466 2.595 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109028270 1000152450 /nfs/dbraw/zinc/15/24/50/1000152450.db2.gz OCZADIVDCLIRPA-FCDRMGDPSA-N 1 2 353.466 2.595 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109028610 1000152839 /nfs/dbraw/zinc/15/28/39/1000152839.db2.gz YUISYNFOBGGZIH-KGFWFAMKSA-N 1 2 371.456 2.734 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109028610 1000152840 /nfs/dbraw/zinc/15/28/40/1000152840.db2.gz YUISYNFOBGGZIH-KGFWFAMKSA-N 1 2 371.456 2.734 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001109068930 1000159285 /nfs/dbraw/zinc/15/92/85/1000159285.db2.gz FTRGYCBFBFURNC-QYZOEREBSA-N 1 2 358.869 2.616 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001109068930 1000159286 /nfs/dbraw/zinc/15/92/86/1000159286.db2.gz FTRGYCBFBFURNC-QYZOEREBSA-N 1 2 358.869 2.616 20 30 FFEDLO CCCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109100964 1000165388 /nfs/dbraw/zinc/16/53/88/1000165388.db2.gz JBEOCZYNDDDSHJ-NEWSRXKRSA-N 1 2 359.445 2.736 20 30 FFEDLO CCCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109100964 1000165390 /nfs/dbraw/zinc/16/53/90/1000165390.db2.gz JBEOCZYNDDDSHJ-NEWSRXKRSA-N 1 2 359.445 2.736 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1coc(-c2ccc(F)cc2)n1 ZINC001109089145 1000166434 /nfs/dbraw/zinc/16/64/34/1000166434.db2.gz YFZKQDDSNQTMMF-QTXLCTLRSA-N 1 2 368.412 2.862 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1coc(-c2ccc(F)cc2)n1 ZINC001109089145 1000166436 /nfs/dbraw/zinc/16/64/36/1000166436.db2.gz YFZKQDDSNQTMMF-QTXLCTLRSA-N 1 2 368.412 2.862 20 30 FFEDLO CO[C@@H](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109186210 1000181343 /nfs/dbraw/zinc/18/13/43/1000181343.db2.gz VOKWCJZLMYVICD-BIGGFVEDSA-N 1 2 359.445 2.734 20 30 FFEDLO CO[C@@H](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109186210 1000181345 /nfs/dbraw/zinc/18/13/45/1000181345.db2.gz VOKWCJZLMYVICD-BIGGFVEDSA-N 1 2 359.445 2.734 20 30 FFEDLO CO[C@H](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109186211 1000181627 /nfs/dbraw/zinc/18/16/27/1000181627.db2.gz VOKWCJZLMYVICD-OLQIXAPSSA-N 1 2 359.445 2.734 20 30 FFEDLO CO[C@H](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109186211 1000181628 /nfs/dbraw/zinc/18/16/28/1000181628.db2.gz VOKWCJZLMYVICD-OLQIXAPSSA-N 1 2 359.445 2.734 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)Nc1ccccc1 ZINC001109206966 1000186513 /nfs/dbraw/zinc/18/65/13/1000186513.db2.gz WMBQFXGJHGBRIO-NQYYFHDYSA-N 1 2 353.466 2.539 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)Nc1ccccc1 ZINC001109206966 1000186515 /nfs/dbraw/zinc/18/65/15/1000186515.db2.gz WMBQFXGJHGBRIO-NQYYFHDYSA-N 1 2 353.466 2.539 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)cc(F)c1 ZINC001109212343 1000188199 /nfs/dbraw/zinc/18/81/99/1000188199.db2.gz AZMYAHJCJVICFJ-VUHPKUFZSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)cc(F)c1 ZINC001109212343 1000188202 /nfs/dbraw/zinc/18/82/02/1000188202.db2.gz AZMYAHJCJVICFJ-VUHPKUFZSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nsc2ccccc12 ZINC001109214069 1000188926 /nfs/dbraw/zinc/18/89/26/1000188926.db2.gz XCQAKMIVISOYBU-GKTLAZJLSA-N 1 2 371.506 2.845 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nsc2ccccc12 ZINC001109214069 1000188929 /nfs/dbraw/zinc/18/89/29/1000188929.db2.gz XCQAKMIVISOYBU-GKTLAZJLSA-N 1 2 371.506 2.845 20 30 FFEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001171211397 1000199267 /nfs/dbraw/zinc/19/92/67/1000199267.db2.gz ZCHLQDZXDUCJEH-MAUKXSAKSA-N 1 2 359.470 2.715 20 30 FFEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001171211397 1000199268 /nfs/dbraw/zinc/19/92/68/1000199268.db2.gz ZCHLQDZXDUCJEH-MAUKXSAKSA-N 1 2 359.470 2.715 20 30 FFEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001109257719 1000203942 /nfs/dbraw/zinc/20/39/42/1000203942.db2.gz KDNHMCGSRWMASV-AABGKKOBSA-N 1 2 352.865 2.826 20 30 FFEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001109257719 1000203944 /nfs/dbraw/zinc/20/39/44/1000203944.db2.gz KDNHMCGSRWMASV-AABGKKOBSA-N 1 2 352.865 2.826 20 30 FFEDLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC2CC2)C3)cc1Cl ZINC001109257533 1000204010 /nfs/dbraw/zinc/20/40/10/1000204010.db2.gz ANRULRQHIOOSKF-NJAFHUGGSA-N 1 2 358.869 2.984 20 30 FFEDLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC2CC2)C3)cc1Cl ZINC001109257533 1000204012 /nfs/dbraw/zinc/20/40/12/1000204012.db2.gz ANRULRQHIOOSKF-NJAFHUGGSA-N 1 2 358.869 2.984 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001109271532 1000213567 /nfs/dbraw/zinc/21/35/67/1000213567.db2.gz RJYDSBIVJKRJII-HFTRVMKXSA-N 1 2 358.486 2.585 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1Cl ZINC001109273969 1000215593 /nfs/dbraw/zinc/21/55/93/1000215593.db2.gz YSPINGHBLOIGNK-NJAFHUGGSA-N 1 2 364.848 2.741 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1Cl ZINC001109273969 1000215600 /nfs/dbraw/zinc/21/56/00/1000215600.db2.gz YSPINGHBLOIGNK-NJAFHUGGSA-N 1 2 364.848 2.741 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)c(NC(C)=O)c1)C2 ZINC001096643751 1016400268 /nfs/dbraw/zinc/40/02/68/1016400268.db2.gz QLGVUNJHHVCLSF-COXVUDFISA-N 1 2 365.836 2.872 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)c(NC(C)=O)c1)C2 ZINC001096643751 1016400276 /nfs/dbraw/zinc/40/02/76/1016400276.db2.gz QLGVUNJHHVCLSF-COXVUDFISA-N 1 2 365.836 2.872 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(c2ccccc2)C1=O ZINC001109353052 1000297981 /nfs/dbraw/zinc/29/79/81/1000297981.db2.gz HGUVNINQKGZOTR-FYQPLNBISA-N 1 2 367.493 2.870 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(c2ccccc2)C1=O ZINC001109353052 1000297986 /nfs/dbraw/zinc/29/79/86/1000297986.db2.gz HGUVNINQKGZOTR-FYQPLNBISA-N 1 2 367.493 2.870 20 30 FFEDLO CN(CC[N@H+](C)CC(=O)N(CCC#N)c1ccccc1)C(=O)OC(C)(C)C ZINC000768742955 1000336479 /nfs/dbraw/zinc/33/64/79/1000336479.db2.gz FOXSDOGCMZWJHA-UHFFFAOYSA-N 1 2 374.485 2.732 20 30 FFEDLO CN(CC[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1)C(=O)OC(C)(C)C ZINC000768742955 1000336484 /nfs/dbraw/zinc/33/64/84/1000336484.db2.gz FOXSDOGCMZWJHA-UHFFFAOYSA-N 1 2 374.485 2.732 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC001091292776 1000377940 /nfs/dbraw/zinc/37/79/40/1000377940.db2.gz JYHTWSDCPFUXCU-OPYAIIAOSA-N 1 2 371.529 2.906 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001091292776 1000377945 /nfs/dbraw/zinc/37/79/45/1000377945.db2.gz JYHTWSDCPFUXCU-OPYAIIAOSA-N 1 2 371.529 2.906 20 30 FFEDLO C#CCOc1ccccc1C[NH+]1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000769213306 1000466121 /nfs/dbraw/zinc/46/61/21/1000466121.db2.gz NPULKULEQMFGHU-UHFFFAOYSA-N 1 2 362.473 2.894 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH2+][C@@H](CCO)c1ccco1 ZINC000769223733 1000468490 /nfs/dbraw/zinc/46/84/90/1000468490.db2.gz WZZMFRRRZLQDOR-ZBFHGGJFSA-N 1 2 362.389 2.530 20 30 FFEDLO CCOCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)CC1 ZINC001109465312 1000512622 /nfs/dbraw/zinc/51/26/22/1000512622.db2.gz VYVRODVRAXDFEL-AABGKKOBSA-N 1 2 370.468 2.715 20 30 FFEDLO CCOCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)CC1 ZINC001109465312 1000512627 /nfs/dbraw/zinc/51/26/27/1000512627.db2.gz VYVRODVRAXDFEL-AABGKKOBSA-N 1 2 370.468 2.715 20 30 FFEDLO N#Cc1ccc(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)nc1 ZINC000780649323 1000541418 /nfs/dbraw/zinc/54/14/18/1000541418.db2.gz UBSWUGISXATUDY-UHFFFAOYSA-N 1 2 352.442 2.552 20 30 FFEDLO Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001091595839 1000753946 /nfs/dbraw/zinc/75/39/46/1000753946.db2.gz RONGFSWYASFHFJ-LSDHHAIUSA-N 1 2 369.444 2.760 20 30 FFEDLO C=CCC(CC=C)C(=O)NC[C@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091606920 1000795882 /nfs/dbraw/zinc/79/58/82/1000795882.db2.gz GQLLENPAANAYPN-GOEBONIOSA-N 1 2 368.485 2.829 20 30 FFEDLO Cn1nc(C2CC2)cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001095485956 1016448990 /nfs/dbraw/zinc/44/89/90/1016448990.db2.gz XSDQGYUSEIWTDN-GIVPXCGWSA-N 1 2 374.488 2.684 20 30 FFEDLO Cn1nc(C2CC2)cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001095485956 1016449001 /nfs/dbraw/zinc/44/90/01/1016449001.db2.gz XSDQGYUSEIWTDN-GIVPXCGWSA-N 1 2 374.488 2.684 20 30 FFEDLO Cc1nc(N2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001091724338 1001160438 /nfs/dbraw/zinc/16/04/38/1001160438.db2.gz SVDFERCQXVCYFL-FSPWUOQZSA-N 1 2 367.428 2.563 20 30 FFEDLO N#Cc1c(F)cccc1NC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001110009723 1001286082 /nfs/dbraw/zinc/28/60/82/1001286082.db2.gz QHWSALQRQZZFKA-XNJGSVPQSA-N 1 2 353.401 2.531 20 30 FFEDLO N#Cc1c(F)cccc1NC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001110009723 1001286085 /nfs/dbraw/zinc/28/60/85/1001286085.db2.gz QHWSALQRQZZFKA-XNJGSVPQSA-N 1 2 353.401 2.531 20 30 FFEDLO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C#N)c(O)c3)cc2Cl)CC1 ZINC000785566564 1001458678 /nfs/dbraw/zinc/45/86/78/1001458678.db2.gz GSQLVTGGFYOHSQ-UHFFFAOYSA-N 1 2 370.840 2.921 20 30 FFEDLO COc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1C#N ZINC000746706186 1001705545 /nfs/dbraw/zinc/70/55/45/1001705545.db2.gz YAFRJUSDMJXUAK-UHFFFAOYSA-N 1 2 365.437 2.561 20 30 FFEDLO COc1ccc(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1C#N ZINC000746715537 1001732885 /nfs/dbraw/zinc/73/28/85/1001732885.db2.gz ADTCBERGRSCMDR-UHFFFAOYSA-N 1 2 361.405 2.752 20 30 FFEDLO CC(C)OCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110309606 1001911561 /nfs/dbraw/zinc/91/15/61/1001911561.db2.gz FXFOYIFPSRHCGU-QRQLOZEOSA-N 1 2 359.445 2.734 20 30 FFEDLO CC(C)OCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110309606 1001911570 /nfs/dbraw/zinc/91/15/70/1001911570.db2.gz FXFOYIFPSRHCGU-QRQLOZEOSA-N 1 2 359.445 2.734 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000789324526 1002046523 /nfs/dbraw/zinc/04/65/23/1002046523.db2.gz NIXZPPWDXWNQMG-UHFFFAOYSA-N 1 2 350.466 2.966 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000789324526 1002046533 /nfs/dbraw/zinc/04/65/33/1002046533.db2.gz NIXZPPWDXWNQMG-UHFFFAOYSA-N 1 2 350.466 2.966 20 30 FFEDLO Cn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001096815489 1016589799 /nfs/dbraw/zinc/58/97/99/1016589799.db2.gz UJGJEYXOBQJHTK-QRVBRYPASA-N 1 2 351.425 2.551 20 30 FFEDLO Cn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001096815489 1016589811 /nfs/dbraw/zinc/58/98/11/1016589811.db2.gz UJGJEYXOBQJHTK-QRVBRYPASA-N 1 2 351.425 2.551 20 30 FFEDLO Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)n1 ZINC001096821233 1016597539 /nfs/dbraw/zinc/59/75/39/1016597539.db2.gz ZBUMBTBCQNDSBN-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)n1 ZINC001096821233 1016597553 /nfs/dbraw/zinc/59/75/53/1016597553.db2.gz ZBUMBTBCQNDSBN-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3ccn(C)c3)n[nH]1)C2 ZINC001095516808 1016601760 /nfs/dbraw/zinc/60/17/60/1016601760.db2.gz ANHPFYZCVQMFPA-KMFMINBZSA-N 1 2 359.861 2.503 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3ccn(C)c3)n[nH]1)C2 ZINC001095516808 1016601767 /nfs/dbraw/zinc/60/17/67/1016601767.db2.gz ANHPFYZCVQMFPA-KMFMINBZSA-N 1 2 359.861 2.503 20 30 FFEDLO Cc1c[nH]c(=O)cc1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183828490 1002400543 /nfs/dbraw/zinc/40/05/43/1002400543.db2.gz IHLQATHSUXWCQQ-SFHVURJKSA-N 1 2 350.422 2.961 20 30 FFEDLO Cc1c[nH]c(=O)cc1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183828490 1002400551 /nfs/dbraw/zinc/40/05/51/1002400551.db2.gz IHLQATHSUXWCQQ-SFHVURJKSA-N 1 2 350.422 2.961 20 30 FFEDLO N#Cc1ccc(F)c(C[NH+]2CCC3(C[C@H]3C(=O)NCC(F)F)CC2)c1F ZINC001276251414 1016616518 /nfs/dbraw/zinc/61/65/18/1016616518.db2.gz AALBOFHLGPRGMO-ZDUSSCGKSA-N 1 2 369.362 2.820 20 30 FFEDLO CCO[C@H](CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110348033 1002545885 /nfs/dbraw/zinc/54/58/85/1002545885.db2.gz PZDCCMGVXAJIQO-OQIJWPOYSA-N 1 2 359.445 2.734 20 30 FFEDLO CCO[C@H](CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110348033 1002545896 /nfs/dbraw/zinc/54/58/96/1002545896.db2.gz PZDCCMGVXAJIQO-OQIJWPOYSA-N 1 2 359.445 2.734 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncs1)C2 ZINC001096854619 1016638233 /nfs/dbraw/zinc/63/82/33/1016638233.db2.gz RVLZZYCMRXRDEC-OAGGEKHMSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncs1)C2 ZINC001096854619 1016638243 /nfs/dbraw/zinc/63/82/43/1016638243.db2.gz RVLZZYCMRXRDEC-OAGGEKHMSA-N 1 2 368.462 2.559 20 30 FFEDLO Cc1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001096859535 1016649128 /nfs/dbraw/zinc/64/91/28/1016649128.db2.gz MAWBCGBWXYBBLL-OIISXLGYSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001096859535 1016649139 /nfs/dbraw/zinc/64/91/39/1016649139.db2.gz MAWBCGBWXYBBLL-OIISXLGYSA-N 1 2 354.385 2.529 20 30 FFEDLO CCCCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C#N)nc2)C1 ZINC001092312337 1002657784 /nfs/dbraw/zinc/65/77/84/1002657784.db2.gz LRHZXZQSDTVBLM-QZTJIDSGSA-N 1 2 366.469 2.674 20 30 FFEDLO CCCCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C#N)cn2)C1 ZINC001092312544 1002659783 /nfs/dbraw/zinc/65/97/83/1002659783.db2.gz ULNYSXASGXBNBQ-IAGOWNOFSA-N 1 2 366.469 2.674 20 30 FFEDLO CCCCCCCCNC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000774765675 1002667573 /nfs/dbraw/zinc/66/75/73/1002667573.db2.gz BPCGBYNKSNNINR-UHFFFAOYSA-N 1 2 360.502 2.643 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1c2ccccc2C[C@@H]1C ZINC001110371366 1003098454 /nfs/dbraw/zinc/09/84/54/1003098454.db2.gz KIAOKMJCBFJRMB-MMTROXRISA-N 1 2 367.493 2.652 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1c2ccccc2C[C@@H]1C ZINC001110371366 1003098464 /nfs/dbraw/zinc/09/84/64/1003098464.db2.gz KIAOKMJCBFJRMB-MMTROXRISA-N 1 2 367.493 2.652 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@H+]([C@@H](C)c2ncc(C)o2)CC1 ZINC001001257069 1016724353 /nfs/dbraw/zinc/72/43/53/1016724353.db2.gz OSBIQHYSDFIQRV-SZMVWBNQSA-N 1 2 359.470 2.774 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@@H+]([C@@H](C)c2ncc(C)o2)CC1 ZINC001001257069 1016724406 /nfs/dbraw/zinc/72/44/06/1016724406.db2.gz OSBIQHYSDFIQRV-SZMVWBNQSA-N 1 2 359.470 2.774 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001490823468 1016741983 /nfs/dbraw/zinc/74/19/83/1016741983.db2.gz BTAZQRADAIZTPE-DDBAPUKQSA-N 1 2 372.513 2.777 20 30 FFEDLO Cn1c[nH+]cc1CCOC(=O)c1occc1COc1cccc(C#N)c1 ZINC000793238310 1003326236 /nfs/dbraw/zinc/32/62/36/1003326236.db2.gz MMBSHMCWHAWYFR-UHFFFAOYSA-N 1 2 351.362 2.863 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2snnc2C(C)C)C1 ZINC001086616048 1003443077 /nfs/dbraw/zinc/44/30/77/1003443077.db2.gz IZDHZSRSEQRXEC-DLBZAZTESA-N 1 2 368.506 2.883 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2snnc2C(C)C)C1 ZINC001086616048 1003443080 /nfs/dbraw/zinc/44/30/80/1003443080.db2.gz IZDHZSRSEQRXEC-DLBZAZTESA-N 1 2 368.506 2.883 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3cc[nH]c3n1)C2 ZINC001095573743 1016781377 /nfs/dbraw/zinc/78/13/77/1016781377.db2.gz CWAORUTUFHBLQM-HOJAQTOUSA-N 1 2 371.444 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3cc[nH]c3n1)C2 ZINC001095573743 1016781388 /nfs/dbraw/zinc/78/13/88/1016781388.db2.gz CWAORUTUFHBLQM-HOJAQTOUSA-N 1 2 371.444 2.970 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001086620555 1003554695 /nfs/dbraw/zinc/55/46/95/1003554695.db2.gz YPAMKLZSULDXQZ-DLBZAZTESA-N 1 2 351.475 2.852 20 30 FFEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001086620555 1003554698 /nfs/dbraw/zinc/55/46/98/1003554698.db2.gz YPAMKLZSULDXQZ-DLBZAZTESA-N 1 2 351.475 2.852 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cncc(F)c2)C3)c(F)c1 ZINC001096945964 1016809601 /nfs/dbraw/zinc/80/96/01/1016809601.db2.gz JADPZCBIHQFOBV-QRQLOZEOSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cncc(F)c2)C3)c(F)c1 ZINC001096945964 1016809614 /nfs/dbraw/zinc/80/96/14/1016809614.db2.gz JADPZCBIHQFOBV-QRQLOZEOSA-N 1 2 368.387 2.767 20 30 FFEDLO CCCCNc1cc(N2CCO[C@H](c3cccc(C#N)c3)C2)nc(N)[nH+]1 ZINC000804580921 1003737801 /nfs/dbraw/zinc/73/78/01/1003737801.db2.gz LSLUAVRNNIVQJX-INIZCTEOSA-N 1 2 352.442 2.720 20 30 FFEDLO CCCCNc1cc(N2CCO[C@H](c3cccc(C#N)c3)C2)[nH+]c(N)n1 ZINC000804580921 1003737806 /nfs/dbraw/zinc/73/78/06/1003737806.db2.gz LSLUAVRNNIVQJX-INIZCTEOSA-N 1 2 352.442 2.720 20 30 FFEDLO CC(C)CCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001196658498 1003905345 /nfs/dbraw/zinc/90/53/45/1003905345.db2.gz DWHIXKBHXBJNMY-QZTJIDSGSA-N 1 2 363.527 2.888 20 30 FFEDLO CC(C)CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001196658498 1003905354 /nfs/dbraw/zinc/90/53/54/1003905354.db2.gz DWHIXKBHXBJNMY-QZTJIDSGSA-N 1 2 363.527 2.888 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)/C=C/c2ccc[nH]2)C3)c1 ZINC001110484753 1003952506 /nfs/dbraw/zinc/95/25/06/1003952506.db2.gz LSCDSAMCSQKPLZ-XUBFKQFZSA-N 1 2 364.424 2.960 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)/C=C/c2ccc[nH]2)C3)c1 ZINC001110484753 1003952513 /nfs/dbraw/zinc/95/25/13/1003952513.db2.gz LSCDSAMCSQKPLZ-XUBFKQFZSA-N 1 2 364.424 2.960 20 30 FFEDLO CC(C)(C)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001191792613 1003956540 /nfs/dbraw/zinc/95/65/40/1003956540.db2.gz GITCINUMHBFPNR-QZTJIDSGSA-N 1 2 361.461 2.575 20 30 FFEDLO CC(C)(C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001191792613 1003956549 /nfs/dbraw/zinc/95/65/49/1003956549.db2.gz GITCINUMHBFPNR-QZTJIDSGSA-N 1 2 361.461 2.575 20 30 FFEDLO CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001196942328 1004019341 /nfs/dbraw/zinc/01/93/41/1004019341.db2.gz AJJCLWWGMWYFOE-CQSZACIVSA-N 1 2 365.275 2.604 20 30 FFEDLO CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC001196942328 1004019344 /nfs/dbraw/zinc/01/93/44/1004019344.db2.gz AJJCLWWGMWYFOE-CQSZACIVSA-N 1 2 365.275 2.604 20 30 FFEDLO CCC[C@H](CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001197265808 1004147123 /nfs/dbraw/zinc/14/71/23/1004147123.db2.gz KWOSFKIJFGELLG-QXAKKESOSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC[C@H](CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001197265808 1004147128 /nfs/dbraw/zinc/14/71/28/1004147128.db2.gz KWOSFKIJFGELLG-QXAKKESOSA-N 1 2 362.901 2.679 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)co1 ZINC001096994653 1016855046 /nfs/dbraw/zinc/85/50/46/1016855046.db2.gz DKEWLTLUDDMKDZ-KYJSFNMBSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)co1 ZINC001096994653 1016855062 /nfs/dbraw/zinc/85/50/62/1016855062.db2.gz DKEWLTLUDDMKDZ-KYJSFNMBSA-N 1 2 354.385 2.529 20 30 FFEDLO CC[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O)C(C)(C)C ZINC001197743149 1004348761 /nfs/dbraw/zinc/34/87/61/1004348761.db2.gz LLLQGUKCHXCHFJ-KBRIMQKVSA-N 1 2 363.527 2.743 20 30 FFEDLO CC[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O)C(C)(C)C ZINC001197743149 1004348771 /nfs/dbraw/zinc/34/87/71/1004348771.db2.gz LLLQGUKCHXCHFJ-KBRIMQKVSA-N 1 2 363.527 2.743 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)Nc1cccc(C)c1 ZINC001110496590 1004414489 /nfs/dbraw/zinc/41/44/89/1004414489.db2.gz AEMYXZWTAGLFIK-AFYVEPGGSA-N 1 2 367.493 2.847 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)Nc1cccc(C)c1 ZINC001110496590 1004414493 /nfs/dbraw/zinc/41/44/93/1004414493.db2.gz AEMYXZWTAGLFIK-AFYVEPGGSA-N 1 2 367.493 2.847 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1O ZINC001193312955 1004461511 /nfs/dbraw/zinc/46/15/11/1004461511.db2.gz TVSZOVLYMWFPLH-HUUCEWRRSA-N 1 2 357.281 2.780 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1O ZINC001193312955 1004461515 /nfs/dbraw/zinc/46/15/15/1004461515.db2.gz TVSZOVLYMWFPLH-HUUCEWRRSA-N 1 2 357.281 2.780 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C[C@H]1O ZINC001193370440 1004467280 /nfs/dbraw/zinc/46/72/80/1004467280.db2.gz YEUIBJXRCWHAHX-CGTJXYLNSA-N 1 2 369.465 2.920 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C[C@H]1O ZINC001193370440 1004467287 /nfs/dbraw/zinc/46/72/87/1004467287.db2.gz YEUIBJXRCWHAHX-CGTJXYLNSA-N 1 2 369.465 2.920 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1O)c1ccccc1 ZINC001198956200 1004793388 /nfs/dbraw/zinc/79/33/88/1004793388.db2.gz SCDDZMBJQOTDIF-VAMGGRTRSA-N 1 2 370.880 2.971 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1O)c1ccccc1 ZINC001198956200 1004793392 /nfs/dbraw/zinc/79/33/92/1004793392.db2.gz SCDDZMBJQOTDIF-VAMGGRTRSA-N 1 2 370.880 2.971 20 30 FFEDLO CCCC[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)C(C)C ZINC001199155635 1004849733 /nfs/dbraw/zinc/84/97/33/1004849733.db2.gz UNLACINEPSXUSS-PWRODBHTSA-N 1 2 356.510 2.662 20 30 FFEDLO CCCC[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)C(C)C ZINC001199155635 1004849735 /nfs/dbraw/zinc/84/97/35/1004849735.db2.gz UNLACINEPSXUSS-PWRODBHTSA-N 1 2 356.510 2.662 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC001195251160 1004923514 /nfs/dbraw/zinc/92/35/14/1004923514.db2.gz QZPDGFZZPAQUDU-SFHVURJKSA-N 1 2 371.481 2.716 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC001195251160 1004923516 /nfs/dbraw/zinc/92/35/16/1004923516.db2.gz QZPDGFZZPAQUDU-SFHVURJKSA-N 1 2 371.481 2.716 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@H]1O ZINC001195277723 1004930174 /nfs/dbraw/zinc/93/01/74/1004930174.db2.gz KLBSJRGYQAQBMW-IAGOWNOFSA-N 1 2 368.880 2.785 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)C[C@H]1O ZINC001195277723 1004930180 /nfs/dbraw/zinc/93/01/80/1004930180.db2.gz KLBSJRGYQAQBMW-IAGOWNOFSA-N 1 2 368.880 2.785 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)c(F)c1 ZINC001110546226 1005072718 /nfs/dbraw/zinc/07/27/18/1005072718.db2.gz QTMCXCSPRMKESV-FOZNTRSISA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)c(F)c1 ZINC001110546226 1005072724 /nfs/dbraw/zinc/07/27/24/1005072724.db2.gz QTMCXCSPRMKESV-FOZNTRSISA-N 1 2 364.848 2.739 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCOCC2CC2)C3)c(F)c1 ZINC001110556250 1005132057 /nfs/dbraw/zinc/13/20/57/1005132057.db2.gz MCGFLYDEIBTRHQ-RLLQIKCJSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCOCC2CC2)C3)c(F)c1 ZINC001110556250 1005132060 /nfs/dbraw/zinc/13/20/60/1005132060.db2.gz MCGFLYDEIBTRHQ-RLLQIKCJSA-N 1 2 371.456 2.736 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(CC)n1 ZINC001110560102 1005162465 /nfs/dbraw/zinc/16/24/65/1005162465.db2.gz XWFQIOQMLANQQH-AQNXPRMDSA-N 1 2 374.529 2.888 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(CC)n1 ZINC001110560102 1005162470 /nfs/dbraw/zinc/16/24/70/1005162470.db2.gz XWFQIOQMLANQQH-AQNXPRMDSA-N 1 2 374.529 2.888 20 30 FFEDLO Cc1cc(NS(=O)(=O)c2ccc(C)c(C#N)c2)n(-c2cc[nH+]cc2)n1 ZINC001201295133 1005195502 /nfs/dbraw/zinc/19/55/02/1005195502.db2.gz LUTLGKHVDNILNW-UHFFFAOYSA-N 1 2 353.407 2.557 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)OC)[C@H]1CC ZINC001489132002 1005416796 /nfs/dbraw/zinc/41/67/96/1005416796.db2.gz DEXKVZWRMRQZMQ-ZNMIVQPWSA-N 1 2 361.324 2.925 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)OC)[C@H]1CC ZINC001489132002 1005416797 /nfs/dbraw/zinc/41/67/97/1005416797.db2.gz DEXKVZWRMRQZMQ-ZNMIVQPWSA-N 1 2 361.324 2.925 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]21 ZINC001489650495 1005517590 /nfs/dbraw/zinc/51/75/90/1005517590.db2.gz IMCQXAJGOHHPSS-QXAKKESOSA-N 1 2 370.497 2.662 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)C1CC[NH+](Cc2cc(C)on2)CC1 ZINC001490618979 1005746203 /nfs/dbraw/zinc/74/62/03/1005746203.db2.gz SREWUXPPCJNNJF-MOPGFXCFSA-N 1 2 361.486 2.777 20 30 FFEDLO N#CCn1c(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)nc2ccccc2c1=O ZINC000852681121 1006136017 /nfs/dbraw/zinc/13/60/17/1006136017.db2.gz LCIHHMUTNDNVPM-QGZVFWFLSA-N 1 2 360.417 2.573 20 30 FFEDLO N#CCn1c(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)nc2ccccc2c1=O ZINC000852681121 1006136021 /nfs/dbraw/zinc/13/60/21/1006136021.db2.gz LCIHHMUTNDNVPM-QGZVFWFLSA-N 1 2 360.417 2.573 20 30 FFEDLO COc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(C#N)c2)sn1 ZINC001097097375 1017031202 /nfs/dbraw/zinc/03/12/02/1017031202.db2.gz RVVUKJZCASTBTP-OAGGEKHMSA-N 1 2 368.462 2.559 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C2CC2)no1 ZINC001097096429 1017027730 /nfs/dbraw/zinc/02/77/30/1017027730.db2.gz PJBFQXUNYZFXCD-ZTTMTSROSA-N 1 2 371.481 2.755 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C2CC2)no1 ZINC001097096429 1017027742 /nfs/dbraw/zinc/02/77/42/1017027742.db2.gz PJBFQXUNYZFXCD-ZTTMTSROSA-N 1 2 371.481 2.755 20 30 FFEDLO C[N@@H+]1[C@@H](C(=O)N/C=C/C(=O)C(F)(F)F)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001187638093 1006182731 /nfs/dbraw/zinc/18/27/31/1006182731.db2.gz XCVDONZTOHBTHE-VSIRBZSBSA-N 1 2 368.355 2.592 20 30 FFEDLO C[N@H+]1[C@@H](C(=O)N/C=C/C(=O)C(F)(F)F)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001187638093 1006182737 /nfs/dbraw/zinc/18/27/37/1006182737.db2.gz XCVDONZTOHBTHE-VSIRBZSBSA-N 1 2 368.355 2.592 20 30 FFEDLO COc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)sn1 ZINC001097097375 1017031192 /nfs/dbraw/zinc/03/11/92/1017031192.db2.gz RVVUKJZCASTBTP-OAGGEKHMSA-N 1 2 368.462 2.559 20 30 FFEDLO C[C@@H](Nc1nccc(Oc2cccc(C#N)c2)n1)[C@H](C)[NH+]1CCOCC1 ZINC000881924375 1006257382 /nfs/dbraw/zinc/25/73/82/1006257382.db2.gz UYIIOLKKGHAXTM-CABCVRRESA-N 1 2 353.426 2.662 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001187865501 1006283468 /nfs/dbraw/zinc/28/34/68/1006283468.db2.gz QVWYUVSGOPTXHH-SUNYJGFJSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001187865501 1006283481 /nfs/dbraw/zinc/28/34/81/1006283481.db2.gz QVWYUVSGOPTXHH-SUNYJGFJSA-N 1 2 364.848 2.550 20 30 FFEDLO C=CCCOCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]21 ZINC001187911798 1006297275 /nfs/dbraw/zinc/29/72/75/1006297275.db2.gz KWQYTRHDARPPTF-PKOBYXMFSA-N 1 2 361.486 2.779 20 30 FFEDLO C=CCCOCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(C)on3)C[C@H]21 ZINC001187911798 1006297291 /nfs/dbraw/zinc/29/72/91/1006297291.db2.gz KWQYTRHDARPPTF-PKOBYXMFSA-N 1 2 361.486 2.779 20 30 FFEDLO C=CC1CC[NH+](CN2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)C2=O)CC1 ZINC000111166276 1006335544 /nfs/dbraw/zinc/33/55/44/1006335544.db2.gz UZDABHXXMZWGPW-QGZVFWFLSA-N 1 2 367.371 2.852 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1cc(C3(C#N)CC3)ccn1)C[NH2+]C2(C)C ZINC001170756452 1006384788 /nfs/dbraw/zinc/38/47/88/1006384788.db2.gz LRNVBYAISIGRIW-UHFFFAOYSA-N 1 2 366.425 2.920 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@@H+](Cc3csnc3OC)C[C@H]21 ZINC001188033645 1006388997 /nfs/dbraw/zinc/38/89/97/1006388997.db2.gz LPSIWLUPINTLSZ-DOTOQJQBSA-N 1 2 361.511 2.953 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@H+](Cc3csnc3OC)C[C@H]21 ZINC001188033645 1006389005 /nfs/dbraw/zinc/38/90/05/1006389005.db2.gz LPSIWLUPINTLSZ-DOTOQJQBSA-N 1 2 361.511 2.953 20 30 FFEDLO CCN1CC[C@H](O[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)C1=O ZINC000853659253 1006497693 /nfs/dbraw/zinc/49/76/93/1006497693.db2.gz UYRATUAYKPGULN-SFHVURJKSA-N 1 2 353.422 2.523 20 30 FFEDLO CC(C)(C)OC(=O)N1CC(c2cc(C#N)cc(CC[NH+]3CCOCC3)c2)C1 ZINC001250277653 1006579142 /nfs/dbraw/zinc/57/91/42/1006579142.db2.gz KUHZWAVLKCOOEQ-UHFFFAOYSA-N 1 2 371.481 2.767 20 30 FFEDLO C#Cc1ccc(C(=O)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)cc1 ZINC001188729042 1006704194 /nfs/dbraw/zinc/70/41/94/1006704194.db2.gz RYMKCLQRXCYEEK-UHFFFAOYSA-N 1 2 361.445 2.575 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[C@H](C3CCC3)CC1)C2 ZINC001110681238 1006754496 /nfs/dbraw/zinc/75/44/96/1006754496.db2.gz FSGLBCOWKNQVEW-WAPOTWQKSA-N 1 2 373.541 2.617 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[C@H](C3CCC3)CC1)C2 ZINC001110681238 1006754507 /nfs/dbraw/zinc/75/45/07/1006754507.db2.gz FSGLBCOWKNQVEW-WAPOTWQKSA-N 1 2 373.541 2.617 20 30 FFEDLO CS[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206183309 1032177994 /nfs/dbraw/zinc/17/79/94/1032177994.db2.gz JILAJPKSNRIYQN-JKIFEVAISA-N 1 2 350.915 2.880 20 30 FFEDLO CS[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206183309 1032178000 /nfs/dbraw/zinc/17/80/00/1032178000.db2.gz JILAJPKSNRIYQN-JKIFEVAISA-N 1 2 350.915 2.880 20 30 FFEDLO CC1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC(F)(F)C1 ZINC000883807000 1007016316 /nfs/dbraw/zinc/01/63/16/1007016316.db2.gz DUSXWHLJEINKRW-UHFFFAOYSA-N 1 2 362.424 2.821 20 30 FFEDLO NC(=[NH+]O[C@H]1CCN(C2CC2)C1=O)c1ccc(OCc2ccccc2)cc1 ZINC001116199651 1032187214 /nfs/dbraw/zinc/18/72/14/1032187214.db2.gz LZCNIXTUHBCMIO-IBGZPJMESA-N 1 2 365.433 2.666 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)COC1CCCC1 ZINC001206253599 1032202379 /nfs/dbraw/zinc/20/23/79/1032202379.db2.gz RDEDWDSNYDBZJJ-AUUYWEPGSA-N 1 2 359.445 2.593 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)COC1CCCC1 ZINC001206253599 1032202389 /nfs/dbraw/zinc/20/23/89/1032202389.db2.gz RDEDWDSNYDBZJJ-AUUYWEPGSA-N 1 2 359.445 2.593 20 30 FFEDLO Cc1cc(C#N)cc(NC(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)c1 ZINC001206305479 1032219269 /nfs/dbraw/zinc/21/92/69/1032219269.db2.gz DVHSBVDXAXQZHV-UHFFFAOYSA-N 1 2 372.469 2.794 20 30 FFEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)nc1-c1cnccn1 ZINC000884481506 1007460489 /nfs/dbraw/zinc/46/04/89/1007460489.db2.gz LYTXNQDMZKSTPJ-GDBMZVCRSA-N 1 2 372.498 2.515 20 30 FFEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)nc1-c1cnccn1 ZINC000884481506 1007460499 /nfs/dbraw/zinc/46/04/99/1007460499.db2.gz LYTXNQDMZKSTPJ-GDBMZVCRSA-N 1 2 372.498 2.515 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)s1 ZINC001110424131 1007519574 /nfs/dbraw/zinc/51/95/74/1007519574.db2.gz GXAUHCPJKZRGKH-ZACQAIPSSA-N 1 2 363.527 2.964 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)s1 ZINC001110424131 1007519588 /nfs/dbraw/zinc/51/95/88/1007519588.db2.gz GXAUHCPJKZRGKH-ZACQAIPSSA-N 1 2 363.527 2.964 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2ccc(CCC#N)cc2)c1C ZINC000884992426 1007619085 /nfs/dbraw/zinc/61/90/85/1007619085.db2.gz MBRFGSSSUYTTAB-UHFFFAOYSA-N 1 2 373.478 2.984 20 30 FFEDLO N#Cc1cccc(C(=O)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c1F ZINC001190535984 1007684982 /nfs/dbraw/zinc/68/49/82/1007684982.db2.gz JOFHWOUUBDOCLY-OAHLLOKOSA-N 1 2 368.412 2.593 20 30 FFEDLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)/C=C/c2ccccc2C#N)C1 ZINC000856328417 1007772954 /nfs/dbraw/zinc/77/29/54/1007772954.db2.gz UKNYXMRHZDJAEJ-VDZCTEQFSA-N 1 2 374.488 2.504 20 30 FFEDLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)/C=C/c2ccccc2C#N)C1 ZINC000856328417 1007772964 /nfs/dbraw/zinc/77/29/64/1007772964.db2.gz UKNYXMRHZDJAEJ-VDZCTEQFSA-N 1 2 374.488 2.504 20 30 FFEDLO N#Cc1cccc([C@@H](O)C[N@@H+]2CCC[C@H]2C(=O)OCc2ccccc2)c1 ZINC001190975723 1007856280 /nfs/dbraw/zinc/85/62/80/1007856280.db2.gz HGHKKULFCVXTCM-PMACEKPBSA-N 1 2 350.418 2.799 20 30 FFEDLO N#Cc1cccc([C@@H](O)C[N@H+]2CCC[C@H]2C(=O)OCc2ccccc2)c1 ZINC001190975723 1007856286 /nfs/dbraw/zinc/85/62/86/1007856286.db2.gz HGHKKULFCVXTCM-PMACEKPBSA-N 1 2 350.418 2.799 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858047005 1008287947 /nfs/dbraw/zinc/28/79/47/1008287947.db2.gz HQYZEBUHUBFMNU-QUCCMNQESA-N 1 2 362.433 2.510 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858047005 1008287950 /nfs/dbraw/zinc/28/79/50/1008287950.db2.gz HQYZEBUHUBFMNU-QUCCMNQESA-N 1 2 362.433 2.510 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2c(F)cccc2F)C[C@H]1C ZINC001206484943 1032307196 /nfs/dbraw/zinc/30/71/96/1032307196.db2.gz BHCWYUYRTBHBCR-HBUWYVDXSA-N 1 2 352.425 2.883 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2c(F)cccc2F)C[C@H]1C ZINC001206484943 1032307209 /nfs/dbraw/zinc/30/72/09/1032307209.db2.gz BHCWYUYRTBHBCR-HBUWYVDXSA-N 1 2 352.425 2.883 20 30 FFEDLO N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(F)c2F)c[nH]1 ZINC001095337350 1008646041 /nfs/dbraw/zinc/64/60/41/1008646041.db2.gz QWNNQOFZKFWBTI-PVAVHDDUSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(F)c2F)c[nH]1 ZINC001095337350 1008646046 /nfs/dbraw/zinc/64/60/46/1008646046.db2.gz QWNNQOFZKFWBTI-PVAVHDDUSA-N 1 2 356.376 2.700 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3ccccc3OC)o2)C[C@H]1C ZINC001206545504 1032337530 /nfs/dbraw/zinc/33/75/30/1032337530.db2.gz VCLADMRGCXYVCQ-GDBMZVCRSA-N 1 2 370.453 2.648 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3ccccc3OC)o2)C[C@H]1C ZINC001206545504 1032337537 /nfs/dbraw/zinc/33/75/37/1032337537.db2.gz VCLADMRGCXYVCQ-GDBMZVCRSA-N 1 2 370.453 2.648 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3cccc(CC#N)c3)C2)c1 ZINC000826570261 1009189206 /nfs/dbraw/zinc/18/92/06/1009189206.db2.gz ZIEUCKRGIPLNMM-NRFANRHFSA-N 1 2 363.461 2.692 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3cccc(CC#N)c3)C2)c1 ZINC000826570261 1009189213 /nfs/dbraw/zinc/18/92/13/1009189213.db2.gz ZIEUCKRGIPLNMM-NRFANRHFSA-N 1 2 363.461 2.692 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3ccccc3CC#N)C2)c1 ZINC000826568952 1009190820 /nfs/dbraw/zinc/19/08/20/1009190820.db2.gz LFVQNZGUAFINKY-HXUWFJFHSA-N 1 2 363.461 2.692 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3ccccc3CC#N)C2)c1 ZINC000826568952 1009190824 /nfs/dbraw/zinc/19/08/24/1009190824.db2.gz LFVQNZGUAFINKY-HXUWFJFHSA-N 1 2 363.461 2.692 20 30 FFEDLO C[C@@H](C(=O)OCC#Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000860931462 1009200906 /nfs/dbraw/zinc/20/09/06/1009200906.db2.gz CCUMOIHKWQXZFS-INIZCTEOSA-N 1 2 364.401 2.936 20 30 FFEDLO C[C@@H](C(=O)OCC#Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000860931462 1009200918 /nfs/dbraw/zinc/20/09/18/1009200918.db2.gz CCUMOIHKWQXZFS-INIZCTEOSA-N 1 2 364.401 2.936 20 30 FFEDLO N#CCOc1cccc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000113373069 1009218841 /nfs/dbraw/zinc/21/88/41/1009218841.db2.gz IAPUSCJVODHRPT-UHFFFAOYSA-N 1 2 365.437 2.584 20 30 FFEDLO CCCCOCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206733046 1032403706 /nfs/dbraw/zinc/40/37/06/1032403706.db2.gz LEMTZADDTQJKFE-VQIMIIECSA-N 1 2 362.901 2.945 20 30 FFEDLO CCCCOCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206733046 1032403711 /nfs/dbraw/zinc/40/37/11/1032403711.db2.gz LEMTZADDTQJKFE-VQIMIIECSA-N 1 2 362.901 2.945 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2Cc3ccccc3N2C(=O)OC(C)(C)C)CC1 ZINC001180707950 1009812214 /nfs/dbraw/zinc/81/22/14/1009812214.db2.gz DFHPCZJDFFCJIF-SFHVURJKSA-N 1 2 371.481 2.683 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)[C@@]2(CC)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001180882886 1009888532 /nfs/dbraw/zinc/88/85/32/1009888532.db2.gz SSZOJHAWIOEUJP-FQEVSTJZSA-N 1 2 365.518 2.744 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1cc(CC)c(O)c(CC)c1)C2 ZINC001276495651 1032446237 /nfs/dbraw/zinc/44/62/37/1032446237.db2.gz YQFQKJOPCVUMAF-UHFFFAOYSA-N 1 2 358.482 2.506 20 30 FFEDLO COc1cc(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)ccc1C#N ZINC000862860587 1010020593 /nfs/dbraw/zinc/02/05/93/1010020593.db2.gz GZJARYHDALJQQB-UHFFFAOYSA-N 1 2 353.426 2.631 20 30 FFEDLO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4c(F)cncc4F)C3)CC2=O)c1 ZINC001206858834 1032461159 /nfs/dbraw/zinc/46/11/59/1032461159.db2.gz OLEXKNJIZWBUKC-FQEVSTJZSA-N 1 2 368.387 2.860 20 30 FFEDLO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4c(F)cncc4F)C3)CC2=O)c1 ZINC001206858834 1032461161 /nfs/dbraw/zinc/46/11/61/1032461161.db2.gz OLEXKNJIZWBUKC-FQEVSTJZSA-N 1 2 368.387 2.860 20 30 FFEDLO CCOC1CC(O[NH+]=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC000863467815 1010217828 /nfs/dbraw/zinc/21/78/28/1010217828.db2.gz MGUPGJWSIIRALA-UHFFFAOYSA-N 1 2 363.458 2.916 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001181929936 1010309977 /nfs/dbraw/zinc/30/99/77/1010309977.db2.gz CUKSHAKIDXFLLJ-KRWDZBQOSA-N 1 2 371.481 2.856 20 30 FFEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(OC)cc3)CC2)C1 ZINC001093581337 1010347550 /nfs/dbraw/zinc/34/75/50/1010347550.db2.gz HANNUXBMAMHHBQ-LEWJYISDSA-N 1 2 370.493 2.677 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C)c2C)C[C@H]1C ZINC001206887144 1032481703 /nfs/dbraw/zinc/48/17/03/1032481703.db2.gz YGNDYCBSUWUNOS-YLJYHZDGSA-N 1 2 369.509 2.872 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(C)c2C)C[C@H]1C ZINC001206887144 1032481704 /nfs/dbraw/zinc/48/17/04/1032481704.db2.gz YGNDYCBSUWUNOS-YLJYHZDGSA-N 1 2 369.509 2.872 20 30 FFEDLO CN(C)c1ccc(C#N)cc1CNc1ccc(N2CCC(CO)CC2)c[nH+]1 ZINC000865289468 1010755359 /nfs/dbraw/zinc/75/53/59/1010755359.db2.gz LUYWKZZPHMWMSV-UHFFFAOYSA-N 1 2 365.481 2.840 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(c2cc(F)c(C#N)cc2[N+](=O)[O-])CC1 ZINC000865439290 1010785934 /nfs/dbraw/zinc/78/59/34/1010785934.db2.gz RPIGFMAJSHSTJW-UHFFFAOYSA-N 1 2 359.361 2.533 20 30 FFEDLO N#Cc1cc(F)cc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000866527391 1011011329 /nfs/dbraw/zinc/01/13/29/1011011329.db2.gz ZASSPALGKPGQAR-UHFFFAOYSA-N 1 2 374.441 2.561 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C(F)(F)F)nn2)C1=O ZINC001275142416 1011989437 /nfs/dbraw/zinc/98/94/37/1011989437.db2.gz MLDNPVUCLFYCKS-MRXNPFEDSA-N 1 2 354.376 2.638 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccc(C(F)(F)F)nn2)C1=O ZINC001275142416 1011989443 /nfs/dbraw/zinc/98/94/43/1011989443.db2.gz MLDNPVUCLFYCKS-MRXNPFEDSA-N 1 2 354.376 2.638 20 30 FFEDLO N#CCCCN1CCC2(CC[NH+](Cc3cc(Cl)ncc3F)CC2)C1=O ZINC001275235147 1012117980 /nfs/dbraw/zinc/11/79/80/1012117980.db2.gz XUDPJCNBRLJDTN-UHFFFAOYSA-N 1 2 364.852 2.992 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](CCc1ccccc1C(F)(F)F)C2 ZINC001275268964 1012182097 /nfs/dbraw/zinc/18/20/97/1012182097.db2.gz ODHMWXPZSHGHOR-UHFFFAOYSA-N 1 2 368.399 2.737 20 30 FFEDLO COc1cccc([C@@H]2CN(C(=O)[C@H](C#N)CCc3ccccc3)CC[NH2+]2)c1 ZINC000870151649 1012208578 /nfs/dbraw/zinc/20/85/78/1012208578.db2.gz GDZVHZGRNOJOID-FPOVZHCZSA-N 1 2 363.461 2.941 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CCC[C@]23CCN(Cc2cnoc2)C3=O)c1Cl ZINC001275308440 1012260988 /nfs/dbraw/zinc/26/09/88/1012260988.db2.gz NEIMMRZLZYJEGZ-LJQANCHMSA-N 1 2 370.840 2.967 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CCC[C@]23CCN(Cc2cnoc2)C3=O)c1Cl ZINC001275308440 1012261001 /nfs/dbraw/zinc/26/10/01/1012261001.db2.gz NEIMMRZLZYJEGZ-LJQANCHMSA-N 1 2 370.840 2.967 20 30 FFEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(O)c(F)c1F)CC2 ZINC001275350561 1012344466 /nfs/dbraw/zinc/34/44/66/1012344466.db2.gz BSKYDTZUHWACES-CQSZACIVSA-N 1 2 350.409 2.965 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)no1 ZINC001095147269 1012552195 /nfs/dbraw/zinc/55/21/95/1012552195.db2.gz BMULVEDWYRCQSX-HFTRVMKXSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)no1 ZINC001095147269 1012552208 /nfs/dbraw/zinc/55/22/08/1012552208.db2.gz BMULVEDWYRCQSX-HFTRVMKXSA-N 1 2 354.385 2.529 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cscn2)C3)c(F)c1 ZINC001095235315 1012804758 /nfs/dbraw/zinc/80/47/58/1012804758.db2.gz OPDXNBRXBFKJRV-KMFMINBZSA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cscn2)C3)c(F)c1 ZINC001095235315 1012804781 /nfs/dbraw/zinc/80/47/81/1012804781.db2.gz OPDXNBRXBFKJRV-KMFMINBZSA-N 1 2 356.426 2.689 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(F)c(Cl)c1)C2 ZINC001275671920 1012816348 /nfs/dbraw/zinc/81/63/48/1012816348.db2.gz KLWGUOGITBMGPA-SFHVURJKSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(F)c(Cl)c1)C2 ZINC001275671920 1012816361 /nfs/dbraw/zinc/81/63/61/1012816361.db2.gz KLWGUOGITBMGPA-SFHVURJKSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3ccc(F)c(C(F)(F)F)c3)C2)OCC1=O ZINC001275715574 1012904826 /nfs/dbraw/zinc/90/48/26/1012904826.db2.gz VWOWCCACEPYPOL-QGZVFWFLSA-N 1 2 372.362 2.834 20 30 FFEDLO C=CCN1C[C@]2(CC[N@H+](Cc3ccc(F)c(C(F)(F)F)c3)C2)OCC1=O ZINC001275715574 1012904836 /nfs/dbraw/zinc/90/48/36/1012904836.db2.gz VWOWCCACEPYPOL-QGZVFWFLSA-N 1 2 372.362 2.834 20 30 FFEDLO CCc1ocnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001095256454 1012972900 /nfs/dbraw/zinc/97/29/00/1012972900.db2.gz VGURSHPOZSYUQQ-PVAVHDDUSA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1ocnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001095256454 1012972909 /nfs/dbraw/zinc/97/29/09/1012972909.db2.gz VGURSHPOZSYUQQ-PVAVHDDUSA-N 1 2 368.412 2.783 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1COc3ccccc3O1)C2 ZINC001097147553 1017103039 /nfs/dbraw/zinc/10/30/39/1017103039.db2.gz DCQLFEUSZCTUQK-FPCVCCKLSA-N 1 2 362.857 2.691 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1COc3ccccc3O1)C2 ZINC001097147553 1017103047 /nfs/dbraw/zinc/10/30/47/1017103047.db2.gz DCQLFEUSZCTUQK-FPCVCCKLSA-N 1 2 362.857 2.691 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3ccn(C)c3)n[nH]1)C2 ZINC001097199346 1017179919 /nfs/dbraw/zinc/17/99/19/1017179919.db2.gz ANHPFYZCVQMFPA-UNEWFSDZSA-N 1 2 359.861 2.503 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3ccn(C)c3)n[nH]1)C2 ZINC001097199346 1017179927 /nfs/dbraw/zinc/17/99/27/1017179927.db2.gz ANHPFYZCVQMFPA-UNEWFSDZSA-N 1 2 359.861 2.503 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccnc1OC ZINC001097225102 1017219097 /nfs/dbraw/zinc/21/90/97/1017219097.db2.gz UKQSGSJWAHRHDH-KURKYZTESA-N 1 2 366.465 2.613 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccnc1OC ZINC001097225102 1017219105 /nfs/dbraw/zinc/21/91/05/1017219105.db2.gz UKQSGSJWAHRHDH-KURKYZTESA-N 1 2 366.465 2.613 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CC1=CCCCC1 ZINC001051151914 1017238674 /nfs/dbraw/zinc/23/86/74/1017238674.db2.gz ACDUSDHCRKHLNQ-AABGKKOBSA-N 1 2 362.514 2.675 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1COCC[N@H+]1CC1=CCCCC1 ZINC001051151914 1017238688 /nfs/dbraw/zinc/23/86/88/1017238688.db2.gz ACDUSDHCRKHLNQ-AABGKKOBSA-N 1 2 362.514 2.675 20 30 FFEDLO CC[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1cccc(C#N)c1O ZINC000924637635 1017386630 /nfs/dbraw/zinc/38/66/30/1017386630.db2.gz UGNOYVXSAYYTPO-SFHVURJKSA-N 1 2 352.438 2.736 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C(C)C)n1 ZINC001055452243 1017522730 /nfs/dbraw/zinc/52/27/30/1017522730.db2.gz KUGDMMAFVGGWHY-DZVNLGKHSA-N 1 2 370.497 2.725 20 30 FFEDLO COCc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)o1 ZINC001097489771 1017537510 /nfs/dbraw/zinc/53/75/10/1017537510.db2.gz QXMUXFINRZSPAQ-RLLQIKCJSA-N 1 2 364.445 2.813 20 30 FFEDLO COCc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)o1 ZINC001097489771 1017537514 /nfs/dbraw/zinc/53/75/14/1017537514.db2.gz QXMUXFINRZSPAQ-RLLQIKCJSA-N 1 2 364.445 2.813 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)cs1 ZINC001097710411 1017827237 /nfs/dbraw/zinc/82/72/37/1017827237.db2.gz PZMSATXNCVUOGR-LMMKCTJWSA-N 1 2 351.475 2.838 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)cs1 ZINC001097710411 1017827253 /nfs/dbraw/zinc/82/72/53/1017827253.db2.gz PZMSATXNCVUOGR-LMMKCTJWSA-N 1 2 351.475 2.838 20 30 FFEDLO Cc1nocc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001097761492 1017891008 /nfs/dbraw/zinc/89/10/08/1017891008.db2.gz GGRVUTKAKZOVEB-QRQLOZEOSA-N 1 2 353.397 2.509 20 30 FFEDLO Cc1nocc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001097761492 1017891030 /nfs/dbraw/zinc/89/10/30/1017891030.db2.gz GGRVUTKAKZOVEB-QRQLOZEOSA-N 1 2 353.397 2.509 20 30 FFEDLO Cc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001097752787 1017909543 /nfs/dbraw/zinc/90/95/43/1017909543.db2.gz XBMGESPHLRFMIT-NRSPTQNISA-N 1 2 363.436 2.916 20 30 FFEDLO Cc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001097752787 1017909548 /nfs/dbraw/zinc/90/95/48/1017909548.db2.gz XBMGESPHLRFMIT-NRSPTQNISA-N 1 2 363.436 2.916 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccnc(Cl)c2)c1 ZINC001097812578 1017977074 /nfs/dbraw/zinc/97/70/74/1017977074.db2.gz QBXHOXYNCQSVBT-KURKYZTESA-N 1 2 366.852 2.647 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccnc(Cl)c2)c1 ZINC001097812578 1017977087 /nfs/dbraw/zinc/97/70/87/1017977087.db2.gz QBXHOXYNCQSVBT-KURKYZTESA-N 1 2 366.852 2.647 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccnc(C)n2)C1 ZINC001052750029 1018081001 /nfs/dbraw/zinc/08/10/01/1018081001.db2.gz ARCVYBXGCAGYRN-JXXFODFXSA-N 1 2 368.485 2.527 20 30 FFEDLO C#Cc1ccc(C(=O)NC[C@@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]2C)cc1 ZINC001053114293 1018183492 /nfs/dbraw/zinc/18/34/92/1018183492.db2.gz CYZKWKXZOACTPR-JLTOFOAXSA-N 1 2 362.477 2.885 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(C[NH+]([C@@H](C)c3ccccc3C)C2)C1 ZINC001053436781 1018302211 /nfs/dbraw/zinc/30/22/11/1018302211.db2.gz CZTYMVUIWDEFCH-SXLOBPIMSA-N 1 2 370.493 2.560 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(O)cc1 ZINC001110934768 1018710227 /nfs/dbraw/zinc/71/02/27/1018710227.db2.gz MUGQVVXWXQVYSJ-WLWJZTKJSA-N 1 2 371.481 2.655 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(O)cc1 ZINC001110934768 1018710235 /nfs/dbraw/zinc/71/02/35/1018710235.db2.gz MUGQVVXWXQVYSJ-WLWJZTKJSA-N 1 2 371.481 2.655 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC(C)(C)C ZINC001110936522 1018715668 /nfs/dbraw/zinc/71/56/68/1018715668.db2.gz RGROXKWEQSZBQO-TVFCKZIOSA-N 1 2 363.546 2.863 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC(C)(C)C ZINC001110936522 1018715680 /nfs/dbraw/zinc/71/56/80/1018715680.db2.gz RGROXKWEQSZBQO-TVFCKZIOSA-N 1 2 363.546 2.863 20 30 FFEDLO CC(C)(C)/C=C/C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001217566371 1032785368 /nfs/dbraw/zinc/78/53/68/1032785368.db2.gz PIWVXURVDBWEPP-HMTUNPETSA-N 1 2 371.456 2.711 20 30 FFEDLO CC(C)(C)/C=C/C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001217566371 1032785384 /nfs/dbraw/zinc/78/53/84/1032785384.db2.gz PIWVXURVDBWEPP-HMTUNPETSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001096138690 1018788752 /nfs/dbraw/zinc/78/87/52/1018788752.db2.gz ZKTVUINDILZXEJ-DEPCRRQNSA-N 1 2 373.472 2.814 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001096138690 1018788766 /nfs/dbraw/zinc/78/87/66/1018788766.db2.gz ZKTVUINDILZXEJ-DEPCRRQNSA-N 1 2 373.472 2.814 20 30 FFEDLO Cn1cncc1/C=C1/CC2(CCOCC2)C/C(=C/c2c[nH+]cn2C)C1=O ZINC000901480285 1019134679 /nfs/dbraw/zinc/13/46/79/1019134679.db2.gz AOSZLLZNEWBTBD-DUGOVBPYSA-N 1 2 352.438 2.780 20 30 FFEDLO Cc1nc(NCc2cccc(C(=O)N[C@@H](CC#N)C(F)(F)F)c2)cc[nH+]1 ZINC000928808679 1019136028 /nfs/dbraw/zinc/13/60/28/1019136028.db2.gz XXEXTMYCTYTDMD-AWEZNQCLSA-N 1 2 363.343 2.972 20 30 FFEDLO Cc1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)c(C)n1 ZINC001098060490 1019260393 /nfs/dbraw/zinc/26/03/93/1019260393.db2.gz NZTGROGOMDGEEH-XWIAVFTESA-N 1 2 367.478 2.562 20 30 FFEDLO Cc1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)c(C)n1 ZINC001098060490 1019260404 /nfs/dbraw/zinc/26/04/04/1019260404.db2.gz NZTGROGOMDGEEH-XWIAVFTESA-N 1 2 367.478 2.562 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)c1cccnn1 ZINC001098085372 1019372685 /nfs/dbraw/zinc/37/26/85/1019372685.db2.gz UFCAPHKZFVXHCO-QRQLOZEOSA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)c1cccnn1 ZINC001098085372 1019372702 /nfs/dbraw/zinc/37/27/02/1019372702.db2.gz UFCAPHKZFVXHCO-QRQLOZEOSA-N 1 2 366.852 2.517 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCCC1 ZINC001110967055 1019383782 /nfs/dbraw/zinc/38/37/82/1019383782.db2.gz QJHHKMXGRWVMGP-QRVBRYPASA-N 1 2 361.530 2.903 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCCC1 ZINC001110967055 1019383797 /nfs/dbraw/zinc/38/37/97/1019383797.db2.gz QJHHKMXGRWVMGP-QRVBRYPASA-N 1 2 361.530 2.903 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2ccco2)C3)ccc1F ZINC001096214103 1019398748 /nfs/dbraw/zinc/39/87/48/1019398748.db2.gz QJBDFKSSFHKMRN-MNEFBYGVSA-N 1 2 353.397 2.755 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2ccco2)C3)ccc1F ZINC001096214103 1019398762 /nfs/dbraw/zinc/39/87/62/1019398762.db2.gz QJBDFKSSFHKMRN-MNEFBYGVSA-N 1 2 353.397 2.755 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001043525703 1019484094 /nfs/dbraw/zinc/48/40/94/1019484094.db2.gz ACLVZTBWTRVOOG-YYQUZTFQSA-N 1 2 356.470 2.512 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001069795539 1019603513 /nfs/dbraw/zinc/60/35/13/1019603513.db2.gz VSGZQRDTSLGELK-XVDPQKCLSA-N 1 2 370.497 2.656 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](CCCc2c(F)cccc2F)C1 ZINC001043923194 1019603662 /nfs/dbraw/zinc/60/36/62/1019603662.db2.gz NEQCWOLCHXYZER-APWZRJJASA-N 1 2 364.436 2.631 20 30 FFEDLO CCc1ncoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095986154 1019704397 /nfs/dbraw/zinc/70/43/97/1019704397.db2.gz UJRIUEQOIFEZHX-JLSDUUJJSA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1ncoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095986154 1019704415 /nfs/dbraw/zinc/70/44/15/1019704415.db2.gz UJRIUEQOIFEZHX-JLSDUUJJSA-N 1 2 368.412 2.783 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)c1 ZINC001095987284 1019707296 /nfs/dbraw/zinc/70/72/96/1019707296.db2.gz BMYLPQRZGXRVJV-GIVPXCGWSA-N 1 2 374.419 2.609 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)c1 ZINC001095987284 1019707314 /nfs/dbraw/zinc/70/73/14/1019707314.db2.gz BMYLPQRZGXRVJV-GIVPXCGWSA-N 1 2 374.419 2.609 20 30 FFEDLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)CCCOC1 ZINC001098116784 1019878973 /nfs/dbraw/zinc/87/89/73/1019878973.db2.gz UJECLXGFEWTPSG-RDPOXOKHSA-N 1 2 371.456 2.736 20 30 FFEDLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)CCCOC1 ZINC001098116784 1019878989 /nfs/dbraw/zinc/87/89/89/1019878989.db2.gz UJECLXGFEWTPSG-RDPOXOKHSA-N 1 2 371.456 2.736 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1)C(C)C ZINC001110983038 1019903796 /nfs/dbraw/zinc/90/37/96/1019903796.db2.gz DEPIKVHSSOZODE-OQIJWPOYSA-N 1 2 359.445 2.590 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1)C(C)C ZINC001110983038 1019903807 /nfs/dbraw/zinc/90/38/07/1019903807.db2.gz DEPIKVHSSOZODE-OQIJWPOYSA-N 1 2 359.445 2.590 20 30 FFEDLO COC(=O)[C@H](OC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1cccc(C#N)c1 ZINC000780087844 1019954756 /nfs/dbraw/zinc/95/47/56/1019954756.db2.gz KYAMFJSFASNJOW-QZTJIDSGSA-N 1 2 352.390 2.618 20 30 FFEDLO C[NH+](C)[C@H](C(=O)OCc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000780090029 1020064123 /nfs/dbraw/zinc/06/41/23/1020064123.db2.gz ITSFETPCNPJXOK-SFHVURJKSA-N 1 2 362.389 2.954 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110998047 1020176287 /nfs/dbraw/zinc/17/62/87/1020176287.db2.gz ZOJINDIMYQOQEA-YSTOQKLRSA-N 1 2 355.482 2.841 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110998047 1020176289 /nfs/dbraw/zinc/17/62/89/1020176289.db2.gz ZOJINDIMYQOQEA-YSTOQKLRSA-N 1 2 355.482 2.841 20 30 FFEDLO CC(C)(C)C#CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001217844442 1032884796 /nfs/dbraw/zinc/88/47/96/1032884796.db2.gz YNUALPYBGYGEMR-ZWKOTPCHSA-N 1 2 360.885 2.801 20 30 FFEDLO CC(C)(C)C#CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001217844442 1032884808 /nfs/dbraw/zinc/88/48/08/1032884808.db2.gz YNUALPYBGYGEMR-ZWKOTPCHSA-N 1 2 360.885 2.801 20 30 FFEDLO N#Cc1cc(Cl)cc(C[NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)c1 ZINC000931102972 1020322303 /nfs/dbraw/zinc/32/23/03/1020322303.db2.gz JKLDYGVKAVYPPB-UHFFFAOYSA-N 1 2 372.831 2.772 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3cccc4ccccc43)n2CC=C)CC1 ZINC000800776211 1020540735 /nfs/dbraw/zinc/54/07/35/1020540735.db2.gz DPOFSDAWVDZOEO-UHFFFAOYSA-N 1 2 371.488 2.963 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001096434716 1020574602 /nfs/dbraw/zinc/57/46/02/1020574602.db2.gz GBTRXTLBXMFIPO-HKBOAZHASA-N 1 2 363.436 2.666 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001096434716 1020574607 /nfs/dbraw/zinc/57/46/07/1020574607.db2.gz GBTRXTLBXMFIPO-HKBOAZHASA-N 1 2 363.436 2.666 20 30 FFEDLO Cc1nc([C@@H]2CC[N@H+](CC(=O)N(CCC#N)c3ccc(C)c(C)c3)C2)no1 ZINC000931947624 1020640931 /nfs/dbraw/zinc/64/09/31/1020640931.db2.gz SOQVKOHHGZVMKB-QGZVFWFLSA-N 1 2 367.453 2.731 20 30 FFEDLO Cc1nc([C@@H]2CC[N@@H+](CC(=O)N(CCC#N)c3ccc(C)c(C)c3)C2)no1 ZINC000931947624 1020640937 /nfs/dbraw/zinc/64/09/37/1020640937.db2.gz SOQVKOHHGZVMKB-QGZVFWFLSA-N 1 2 367.453 2.731 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc(C(F)(F)F)c1C)C2 ZINC001096100719 1020658367 /nfs/dbraw/zinc/65/83/67/1020658367.db2.gz GOHYVCPFMHNPNI-VWYCJHECSA-N 1 2 362.783 2.825 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc(C(F)(F)F)c1C)C2 ZINC001096100719 1020658371 /nfs/dbraw/zinc/65/83/71/1020658371.db2.gz GOHYVCPFMHNPNI-VWYCJHECSA-N 1 2 362.783 2.825 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001046602960 1020713299 /nfs/dbraw/zinc/71/32/99/1020713299.db2.gz LTHPHHUXUQEBMZ-GFIVTLFCSA-N 1 2 370.497 2.562 20 30 FFEDLO CC#CC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000801171302 1020794292 /nfs/dbraw/zinc/79/42/92/1020794292.db2.gz BJHJDHHIQZLDCL-UHFFFAOYSA-N 1 2 362.473 2.960 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cc(C)ns3)C[C@@H]21 ZINC001217985912 1032934305 /nfs/dbraw/zinc/93/43/05/1032934305.db2.gz FHGYXYOPYWUFCE-ZWKOTPCHSA-N 1 2 361.511 2.632 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3cc(C)ns3)C[C@@H]21 ZINC001217985912 1032934323 /nfs/dbraw/zinc/93/43/23/1032934323.db2.gz FHGYXYOPYWUFCE-ZWKOTPCHSA-N 1 2 361.511 2.632 20 30 FFEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)nc1-c1ccccn1 ZINC000749795975 1021036019 /nfs/dbraw/zinc/03/60/19/1021036019.db2.gz DSTRPNLKBPIKMM-HZPDHXFCSA-N 1 2 371.510 2.978 20 30 FFEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)nc1-c1ccccn1 ZINC000749795975 1021036026 /nfs/dbraw/zinc/03/60/26/1021036026.db2.gz DSTRPNLKBPIKMM-HZPDHXFCSA-N 1 2 371.510 2.978 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCOC[C@@H]1C[C@@H]1CCOC1)c1ccccc1 ZINC000933678168 1021067624 /nfs/dbraw/zinc/06/76/24/1021067624.db2.gz YNLZMGZILHUYPI-SESVDKBCSA-N 1 2 356.466 2.554 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCOC[C@@H]1C[C@@H]1CCOC1)c1ccccc1 ZINC000933678168 1021067630 /nfs/dbraw/zinc/06/76/30/1021067630.db2.gz YNLZMGZILHUYPI-SESVDKBCSA-N 1 2 356.466 2.554 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)c3ccns3)C2)c1 ZINC001098861170 1021263524 /nfs/dbraw/zinc/26/35/24/1021263524.db2.gz IUAVDKLTWIDQOR-KXBFYZLASA-N 1 2 370.453 2.938 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)c3ccns3)C2)c1 ZINC001098861170 1021263530 /nfs/dbraw/zinc/26/35/30/1021263530.db2.gz IUAVDKLTWIDQOR-KXBFYZLASA-N 1 2 370.453 2.938 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3-c3ccccc3)[C@H]2C1 ZINC001222432208 1032969403 /nfs/dbraw/zinc/96/94/03/1032969403.db2.gz IEUBKHGSYNRIAV-MJGOQNOKSA-N 1 2 365.481 2.656 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3-c3ccccc3)[C@H]2C1 ZINC001222432208 1032969416 /nfs/dbraw/zinc/96/94/16/1032969416.db2.gz IEUBKHGSYNRIAV-MJGOQNOKSA-N 1 2 365.481 2.656 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC000934797494 1021402239 /nfs/dbraw/zinc/40/22/39/1021402239.db2.gz SJQABCUJMNPBSX-OKILXGFUSA-N 1 2 371.403 2.903 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC000934797494 1021402245 /nfs/dbraw/zinc/40/22/45/1021402245.db2.gz SJQABCUJMNPBSX-OKILXGFUSA-N 1 2 371.403 2.903 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@@H](C)c2nncn2C)C3)CC1 ZINC001099012722 1021592131 /nfs/dbraw/zinc/59/21/31/1021592131.db2.gz KTGMPDDOVGDQKK-KNBMTAEXSA-N 1 2 357.502 2.593 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@@H](C)c2nncn2C)C3)CC1 ZINC001099012722 1021592148 /nfs/dbraw/zinc/59/21/48/1021592148.db2.gz KTGMPDDOVGDQKK-KNBMTAEXSA-N 1 2 357.502 2.593 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015816374 1021961286 /nfs/dbraw/zinc/96/12/86/1021961286.db2.gz KQMWUAOVAGUYEP-BJLQDIEVSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015816374 1021961292 /nfs/dbraw/zinc/96/12/92/1021961292.db2.gz KQMWUAOVAGUYEP-BJLQDIEVSA-N 1 2 371.456 2.759 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnnn2C)CCCCC1 ZINC001111137175 1022057429 /nfs/dbraw/zinc/05/74/29/1022057429.db2.gz RBXVBKRPFCJJCD-NXHRZFHOSA-N 1 2 357.502 2.563 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnnn2C)CCCCC1 ZINC001111137175 1022057438 /nfs/dbraw/zinc/05/74/38/1022057438.db2.gz RBXVBKRPFCJJCD-NXHRZFHOSA-N 1 2 357.502 2.563 20 30 FFEDLO O=C(C(F)C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CCC2)C1 ZINC001099254739 1022169925 /nfs/dbraw/zinc/16/99/25/1022169925.db2.gz VRSBYNUUSYFPLS-BBBLOLIVSA-N 1 2 350.278 2.666 20 30 FFEDLO O=C([C@H](F)C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CCC2)C1 ZINC001099254739 1022169936 /nfs/dbraw/zinc/16/99/36/1022169936.db2.gz VRSBYNUUSYFPLS-BBBLOLIVSA-N 1 2 350.278 2.666 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(C(C)(C)C)nn3)[C@H]2C1 ZINC001222556880 1033050467 /nfs/dbraw/zinc/05/04/67/1033050467.db2.gz SOGNKBLCABBPEA-MJGOQNOKSA-N 1 2 371.529 2.650 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3cn(C(C)(C)C)nn3)[C@H]2C1 ZINC001222556880 1033050476 /nfs/dbraw/zinc/05/04/76/1033050476.db2.gz SOGNKBLCABBPEA-MJGOQNOKSA-N 1 2 371.529 2.650 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CC2CCC(C)CC2)CC1 ZINC001118852238 1022440366 /nfs/dbraw/zinc/44/03/66/1022440366.db2.gz VEMAIZBAKOXTNP-CTWPCTMYSA-N 1 2 371.529 2.711 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001019500329 1022487780 /nfs/dbraw/zinc/48/77/80/1022487780.db2.gz QXYXYOGMACODOJ-MPGHIAIKSA-N 1 2 361.486 2.644 20 30 FFEDLO COc1ccc(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])cc1 ZINC000119249549 1022558552 /nfs/dbraw/zinc/55/85/52/1022558552.db2.gz FBJCYMDOVCABCV-UHFFFAOYSA-N 1 2 362.433 2.855 20 30 FFEDLO N#Cc1cc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)ccc1C1CC1 ZINC001119389606 1022734332 /nfs/dbraw/zinc/73/43/32/1022734332.db2.gz MCMCRPZANGLXHJ-UHFFFAOYSA-N 1 2 374.444 2.506 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3ccc(F)cc3O1)C2 ZINC001095762358 1022767616 /nfs/dbraw/zinc/76/76/16/1022767616.db2.gz JWACYERXNCNIME-QZWWFDLISA-N 1 2 364.848 2.993 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3ccc(F)cc3O1)C2 ZINC001095762358 1022767627 /nfs/dbraw/zinc/76/76/27/1022767627.db2.gz JWACYERXNCNIME-QZWWFDLISA-N 1 2 364.848 2.993 20 30 FFEDLO CCOC(=O)Nc1ccc(NC(=O)NCCNc2cccc[nH+]2)cc1C#N ZINC000752302029 1023108815 /nfs/dbraw/zinc/10/88/15/1023108815.db2.gz DOAKUJSDCVYNCL-UHFFFAOYSA-N 1 2 368.397 2.755 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)Cc1ccc2c(c1)OCO2 ZINC001122440350 1023269743 /nfs/dbraw/zinc/26/97/43/1023269743.db2.gz AQVFWXYQERKMDE-INIZCTEOSA-N 1 2 369.469 2.986 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)Cc1ccc2c(c1)OCO2 ZINC001122440350 1023269749 /nfs/dbraw/zinc/26/97/49/1023269749.db2.gz AQVFWXYQERKMDE-INIZCTEOSA-N 1 2 369.469 2.986 20 30 FFEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1C[C@@H]2COC[C@@H]2C1 ZINC001122445398 1023274205 /nfs/dbraw/zinc/27/42/05/1023274205.db2.gz RCUAVLGQYVHVNE-FGTMMUONSA-N 1 2 370.501 2.769 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001490845066 1023286299 /nfs/dbraw/zinc/28/62/99/1023286299.db2.gz ZWPQGELXULGNOT-ZACQAIPSSA-N 1 2 372.513 2.777 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001122487560 1023299695 /nfs/dbraw/zinc/29/96/95/1023299695.db2.gz BXMJPWGRTPXPMV-UHFFFAOYSA-N 1 2 369.517 3.000 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000829366550 1033123829 /nfs/dbraw/zinc/12/38/29/1033123829.db2.gz OICQOTMQWZGXCB-CTNGQTDRSA-N 1 2 350.418 2.538 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000829366550 1033123838 /nfs/dbraw/zinc/12/38/38/1033123838.db2.gz OICQOTMQWZGXCB-CTNGQTDRSA-N 1 2 350.418 2.538 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000829366904 1033124379 /nfs/dbraw/zinc/12/43/79/1033124379.db2.gz RFMYJWXGKOCIME-TZIWHRDSSA-N 1 2 350.418 2.538 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000829366904 1033124386 /nfs/dbraw/zinc/12/43/86/1033124386.db2.gz RFMYJWXGKOCIME-TZIWHRDSSA-N 1 2 350.418 2.538 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(CCCO)CC1 ZINC001122622374 1023374591 /nfs/dbraw/zinc/37/45/91/1023374591.db2.gz AQFCFTUCEAYHAQ-SFHVURJKSA-N 1 2 361.534 3.000 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(CCCO)CC1 ZINC001122622374 1023374597 /nfs/dbraw/zinc/37/45/97/1023374597.db2.gz AQFCFTUCEAYHAQ-SFHVURJKSA-N 1 2 361.534 3.000 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N(C[C@H]1CCOC1)C1CC1 ZINC001122626453 1023376715 /nfs/dbraw/zinc/37/67/15/1023376715.db2.gz SULQQHYNDNDJEM-QGZVFWFLSA-N 1 2 359.518 2.845 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@@H](C)[C@@H](F)C1 ZINC001122630463 1023378818 /nfs/dbraw/zinc/37/88/18/1023378818.db2.gz ZTXUUQQVJAEMST-IKGGRYGDSA-N 1 2 365.497 2.820 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@@H](C)[C@@H](F)C1 ZINC001122630463 1023378822 /nfs/dbraw/zinc/37/88/22/1023378822.db2.gz ZTXUUQQVJAEMST-IKGGRYGDSA-N 1 2 365.497 2.820 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(CC)o3)[C@H]2C1 ZINC001222751865 1033140325 /nfs/dbraw/zinc/14/03/25/1033140325.db2.gz MZQNBUBMJOPWPU-WBVHZDCISA-N 1 2 358.486 2.823 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(CC)o3)[C@H]2C1 ZINC001222751865 1033140331 /nfs/dbraw/zinc/14/03/31/1033140331.db2.gz MZQNBUBMJOPWPU-WBVHZDCISA-N 1 2 358.486 2.823 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(CC)n3C)[C@H]2C1 ZINC001222751898 1033142603 /nfs/dbraw/zinc/14/26/03/1033142603.db2.gz OCCVXZWAGUMJNL-AEFFLSMTSA-N 1 2 371.529 2.569 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(CC)n3C)[C@H]2C1 ZINC001222751898 1033142607 /nfs/dbraw/zinc/14/26/07/1033142607.db2.gz OCCVXZWAGUMJNL-AEFFLSMTSA-N 1 2 371.529 2.569 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@H+](Cc3cn(CC4CC4)nn3)[C@H]2C1 ZINC001222767264 1033150135 /nfs/dbraw/zinc/15/01/35/1033150135.db2.gz CSDWWTMRCBMUQU-MJGOQNOKSA-N 1 2 371.529 2.713 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(CC4CC4)nn3)[C@H]2C1 ZINC001222767264 1033150137 /nfs/dbraw/zinc/15/01/37/1033150137.db2.gz CSDWWTMRCBMUQU-MJGOQNOKSA-N 1 2 371.529 2.713 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1C#N ZINC000756579722 1023731190 /nfs/dbraw/zinc/73/11/90/1023731190.db2.gz KJGSPPCZXYNVQS-UHFFFAOYSA-N 1 2 373.453 2.834 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c1C#N ZINC000756589835 1023732710 /nfs/dbraw/zinc/73/27/10/1023732710.db2.gz VVZNEMYOEZXNBO-ZDUSSCGKSA-N 1 2 361.442 2.690 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c1C#N ZINC000756589835 1023732717 /nfs/dbraw/zinc/73/27/17/1023732717.db2.gz VVZNEMYOEZXNBO-ZDUSSCGKSA-N 1 2 361.442 2.690 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)COC(C)(C)C)n2CC2CC2)CC1 ZINC001123401075 1023780950 /nfs/dbraw/zinc/78/09/50/1023780950.db2.gz OKHYSCADTMUZFZ-UHFFFAOYSA-N 1 2 373.545 2.536 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@H](C)[C@@H](F)C1 ZINC001121493101 1023808643 /nfs/dbraw/zinc/80/86/43/1023808643.db2.gz UKGRRTQUCXUBDI-YVSFHVDLSA-N 1 2 363.481 2.574 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@H](C)[C@@H](F)C1 ZINC001121493101 1023808647 /nfs/dbraw/zinc/80/86/47/1023808647.db2.gz UKGRRTQUCXUBDI-YVSFHVDLSA-N 1 2 363.481 2.574 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CC[C@H](C(C)C)C1 ZINC001121492552 1023808706 /nfs/dbraw/zinc/80/87/06/1023808706.db2.gz KSKZKLFVHWVVGB-BZSNNMDCSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CC[C@H](C(C)C)C1 ZINC001121492552 1023808714 /nfs/dbraw/zinc/80/87/14/1023808714.db2.gz KSKZKLFVHWVVGB-BZSNNMDCSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCc2sccc2[C@@H]1CC ZINC001121510815 1023818824 /nfs/dbraw/zinc/81/88/24/1023818824.db2.gz UEOCYUBMDHGFFH-KBMXLJTQSA-N 1 2 373.526 2.777 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCc2sccc2[C@@H]1CC ZINC001121510815 1023818825 /nfs/dbraw/zinc/81/88/25/1023818825.db2.gz UEOCYUBMDHGFFH-KBMXLJTQSA-N 1 2 373.526 2.777 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001121610539 1023880176 /nfs/dbraw/zinc/88/01/76/1023880176.db2.gz SXMPQWUUVFAIBQ-HZMVEIRTSA-N 1 2 361.534 2.853 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001121610539 1023880181 /nfs/dbraw/zinc/88/01/81/1023880181.db2.gz SXMPQWUUVFAIBQ-HZMVEIRTSA-N 1 2 361.534 2.853 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@@H](C2CCCC2)C1 ZINC001121610170 1023880518 /nfs/dbraw/zinc/88/05/18/1023880518.db2.gz QXDPXQXZDUKGBP-SQNIBIBYSA-N 1 2 359.518 2.608 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H](C2CCCC2)C1 ZINC001121610170 1023880521 /nfs/dbraw/zinc/88/05/21/1023880521.db2.gz QXDPXQXZDUKGBP-SQNIBIBYSA-N 1 2 359.518 2.608 20 30 FFEDLO CCn1ccc(Nc2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)n1 ZINC001123727867 1023970021 /nfs/dbraw/zinc/97/00/21/1023970021.db2.gz FLQBGWRHCMZXPA-UHFFFAOYSA-N 1 2 368.489 2.741 20 30 FFEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ncc(CC)o4)[C@H]3C2)CCC1 ZINC001222877010 1033185089 /nfs/dbraw/zinc/18/50/89/1033185089.db2.gz LRYKWBXIGKNEOZ-AEFFLSMTSA-N 1 2 355.482 2.853 20 30 FFEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4ncc(CC)o4)[C@H]3C2)CCC1 ZINC001222877010 1033185096 /nfs/dbraw/zinc/18/50/96/1033185096.db2.gz LRYKWBXIGKNEOZ-AEFFLSMTSA-N 1 2 355.482 2.853 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)c1csnn1 ZINC001095828703 1024115482 /nfs/dbraw/zinc/11/54/82/1024115482.db2.gz CKHCYWOCVQLYMX-VYDXJSESSA-N 1 2 372.881 2.578 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)c1csnn1 ZINC001095828703 1024115488 /nfs/dbraw/zinc/11/54/88/1024115488.db2.gz CKHCYWOCVQLYMX-VYDXJSESSA-N 1 2 372.881 2.578 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001101252387 1024201022 /nfs/dbraw/zinc/20/10/22/1024201022.db2.gz LPOMLWJVFGBYRH-KUHUBIRLSA-N 1 2 364.921 2.956 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001101252387 1024201035 /nfs/dbraw/zinc/20/10/35/1024201035.db2.gz LPOMLWJVFGBYRH-KUHUBIRLSA-N 1 2 364.921 2.956 20 30 FFEDLO C#C[C@H](NC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)C1CCOCC1 ZINC001121987213 1024237037 /nfs/dbraw/zinc/23/70/37/1024237037.db2.gz XRUIFLMCTIELRZ-ROUUACIJSA-N 1 2 372.513 2.956 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3c(C)noc3CC)C[C@@H]21 ZINC001218524575 1033201193 /nfs/dbraw/zinc/20/11/93/1033201193.db2.gz ZMKDRESOJDZDKO-UCLAIMLFSA-N 1 2 361.486 2.559 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3c(C)noc3CC)C[C@@H]21 ZINC001218524575 1033201206 /nfs/dbraw/zinc/20/12/06/1033201206.db2.gz ZMKDRESOJDZDKO-UCLAIMLFSA-N 1 2 361.486 2.559 20 30 FFEDLO N#Cc1cc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1F ZINC000758951719 1024391126 /nfs/dbraw/zinc/39/11/26/1024391126.db2.gz RGQAJISTMPTPJC-IBGZPJMESA-N 1 2 354.381 2.642 20 30 FFEDLO N#Cc1cc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1F ZINC000758951719 1024391134 /nfs/dbraw/zinc/39/11/34/1024391134.db2.gz RGQAJISTMPTPJC-IBGZPJMESA-N 1 2 354.381 2.642 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001101336860 1024483841 /nfs/dbraw/zinc/48/38/41/1024483841.db2.gz SMJHMFWMLMYAEL-CLCXKQKWSA-N 1 2 364.921 2.956 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001101336860 1024483851 /nfs/dbraw/zinc/48/38/51/1024483851.db2.gz SMJHMFWMLMYAEL-CLCXKQKWSA-N 1 2 364.921 2.956 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3CCC)C[C@@]2(C)C1 ZINC001101338044 1024488696 /nfs/dbraw/zinc/48/86/96/1024488696.db2.gz VQVMBZZLWQVKAD-QKLQHJQFSA-N 1 2 359.518 2.571 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3ncnn3CCC)C[C@@]2(C)C1 ZINC001101338044 1024488701 /nfs/dbraw/zinc/48/87/01/1024488701.db2.gz VQVMBZZLWQVKAD-QKLQHJQFSA-N 1 2 359.518 2.571 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4ncnn4CCC)C[C@@]3(C)C2)CC1 ZINC001101354263 1024530827 /nfs/dbraw/zinc/53/08/27/1024530827.db2.gz YEZBFFSHBCWZND-XLIONFOSSA-N 1 2 371.529 2.715 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@H+](Cc4ncnn4CCC)C[C@@]3(C)C2)CC1 ZINC001101354263 1024530841 /nfs/dbraw/zinc/53/08/41/1024530841.db2.gz YEZBFFSHBCWZND-XLIONFOSSA-N 1 2 371.529 2.715 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001101793836 1025044994 /nfs/dbraw/zinc/04/49/94/1025044994.db2.gz KQPVASXESNJWLV-HZSPNIEDSA-N 1 2 371.934 2.962 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001101793836 1025045005 /nfs/dbraw/zinc/04/50/05/1025045005.db2.gz KQPVASXESNJWLV-HZSPNIEDSA-N 1 2 371.934 2.962 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2noc(C)n2)C[C@H]1C ZINC001102002578 1025282167 /nfs/dbraw/zinc/28/21/67/1025282167.db2.gz QOPPTULTFCMCEY-UHIISALHSA-N 1 2 354.882 2.902 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2noc(C)n2)C[C@H]1C ZINC001102002578 1025282179 /nfs/dbraw/zinc/28/21/79/1025282179.db2.gz QOPPTULTFCMCEY-UHIISALHSA-N 1 2 354.882 2.902 20 30 FFEDLO N#Cc1c(N)sc(C[NH+]2CC3(CN(c4ccccc4)C3=O)C2)c1Cl ZINC001141114095 1025476257 /nfs/dbraw/zinc/47/62/57/1025476257.db2.gz DZGCLTALAYMCKD-UHFFFAOYSA-N 1 2 358.854 2.704 20 30 FFEDLO CC1(N2CCOCC2)CC[NH+](Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141114418 1025476727 /nfs/dbraw/zinc/47/67/27/1025476727.db2.gz NUCSNYRZAJQFDP-UHFFFAOYSA-N 1 2 354.907 2.542 20 30 FFEDLO C=CCCC1(C(=O)NC[C@@H]2C[N@@H+](Cc3nc(C(F)F)no3)C[C@H]2C)CC1 ZINC001102326058 1025754598 /nfs/dbraw/zinc/75/45/98/1025754598.db2.gz HBXPHLPLFXDHJO-CHWSQXEVSA-N 1 2 368.428 2.938 20 30 FFEDLO C=CCCC1(C(=O)NC[C@@H]2C[N@H+](Cc3nc(C(F)F)no3)C[C@H]2C)CC1 ZINC001102326058 1025754601 /nfs/dbraw/zinc/75/46/01/1025754601.db2.gz HBXPHLPLFXDHJO-CHWSQXEVSA-N 1 2 368.428 2.938 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ncc(Cl)n2C)C[C@H]1C ZINC001102409918 1025920455 /nfs/dbraw/zinc/92/04/55/1025920455.db2.gz BKDYTKPZAXNVIJ-ZIAGYGMSSA-N 1 2 352.910 2.860 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ncc(Cl)n2C)C[C@H]1C ZINC001102409918 1025920459 /nfs/dbraw/zinc/92/04/59/1025920459.db2.gz BKDYTKPZAXNVIJ-ZIAGYGMSSA-N 1 2 352.910 2.860 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2nn(C)cc2Cl)C[C@H]1C ZINC001102409904 1025921768 /nfs/dbraw/zinc/92/17/68/1025921768.db2.gz ATUYYMYEMWMUKL-ZIAGYGMSSA-N 1 2 352.910 2.860 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2nn(C)cc2Cl)C[C@H]1C ZINC001102409904 1025921783 /nfs/dbraw/zinc/92/17/83/1025921783.db2.gz ATUYYMYEMWMUKL-ZIAGYGMSSA-N 1 2 352.910 2.860 20 30 FFEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000839602337 1026754678 /nfs/dbraw/zinc/75/46/78/1026754678.db2.gz SKNDXMXQEPHQKU-KRWDZBQOSA-N 1 2 366.461 2.844 20 30 FFEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000839602337 1026754685 /nfs/dbraw/zinc/75/46/85/1026754685.db2.gz SKNDXMXQEPHQKU-KRWDZBQOSA-N 1 2 366.461 2.844 20 30 FFEDLO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3C#N)CC[C@@H]21 ZINC001141818580 1027010605 /nfs/dbraw/zinc/01/06/05/1027010605.db2.gz KSRGHQKXKGKAFU-CJNGLKHVSA-N 1 2 362.271 2.763 20 30 FFEDLO CN1C(=O)CC[C@@H]2C[N@H+](Cc3ccc(Br)cc3C#N)CC[C@@H]21 ZINC001141818580 1027010612 /nfs/dbraw/zinc/01/06/12/1027010612.db2.gz KSRGHQKXKGKAFU-CJNGLKHVSA-N 1 2 362.271 2.763 20 30 FFEDLO C#Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC001158767796 1027128691 /nfs/dbraw/zinc/12/86/91/1027128691.db2.gz SNVFSRFBVMYSCA-MRXNPFEDSA-N 1 2 351.425 2.956 20 30 FFEDLO CO[C@H]1C[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C12CCC2 ZINC000840703958 1027221152 /nfs/dbraw/zinc/22/11/52/1027221152.db2.gz LHRBAXPGVLJIIJ-IRXDYDNUSA-N 1 2 366.465 2.604 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CC)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001103331556 1027242211 /nfs/dbraw/zinc/24/22/11/1027242211.db2.gz NQSQWYQDEVYXHY-LESCRADOSA-N 1 2 358.486 2.562 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CC)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001103331555 1027242342 /nfs/dbraw/zinc/24/23/42/1027242342.db2.gz NQSQWYQDEVYXHY-KYJSFNMBSA-N 1 2 358.486 2.562 20 30 FFEDLO Cc1c(CC[NH3+])c(=O)[nH]n1C(F)(F)c1cc(Cl)nc(Cl)c1C#N ZINC001159292128 1027341247 /nfs/dbraw/zinc/34/12/47/1027341247.db2.gz DXDJZBBIRNWLCJ-UHFFFAOYSA-N 1 2 362.167 2.569 20 30 FFEDLO CC(C)[C@H](NC(=O)CO[NH+]=C(N)Cc1cccnc1)c1ccc(F)cc1 ZINC000092916361 1027507966 /nfs/dbraw/zinc/50/79/66/1027507966.db2.gz XAJXPUSOGWJPEP-IBGZPJMESA-N 1 2 358.417 2.566 20 30 FFEDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1nc2ccccc2c(Cl)c1C#N ZINC001160697590 1027811841 /nfs/dbraw/zinc/81/18/41/1027811841.db2.gz XITQCPYFKBVMIJ-OAHLLOKOSA-N 1 2 369.812 2.690 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2cn(C)c3ccc(Br)cc23)CC1 ZINC001153530074 1027919279 /nfs/dbraw/zinc/91/92/79/1027919279.db2.gz JJRBFBSFYPWHLX-UHFFFAOYSA-N 1 2 362.271 2.885 20 30 FFEDLO N#CCc1ccc[nH+]c1NC[C@@H]1Cn2nnc(-c3cccc(F)c3)c2CO1 ZINC001163615797 1028991808 /nfs/dbraw/zinc/99/18/08/1028991808.db2.gz OVPHWZSPCOTZCC-MRXNPFEDSA-N 1 2 364.384 2.556 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C[C@H]1C ZINC001206659874 1029064355 /nfs/dbraw/zinc/06/43/55/1029064355.db2.gz SNTVJFXEBDGDLU-PMUMKWKESA-N 1 2 371.872 2.622 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C[C@H]1C ZINC001206659874 1029064374 /nfs/dbraw/zinc/06/43/74/1029064374.db2.gz SNTVJFXEBDGDLU-PMUMKWKESA-N 1 2 371.872 2.622 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2c(F)cccc2Br)C[C@H]1C ZINC001206660092 1029066679 /nfs/dbraw/zinc/06/66/79/1029066679.db2.gz WSAOHZKXQZGVGU-FIXISWKDSA-N 1 2 368.250 2.684 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2c(F)cccc2Br)C[C@H]1C ZINC001206660092 1029066695 /nfs/dbraw/zinc/06/66/95/1029066695.db2.gz WSAOHZKXQZGVGU-FIXISWKDSA-N 1 2 368.250 2.684 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cc2Br)C[C@H]1C ZINC001206660122 1029067657 /nfs/dbraw/zinc/06/76/57/1029067657.db2.gz XLZKHKDABIISRF-FIXISWKDSA-N 1 2 368.250 2.684 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2Br)C[C@H]1C ZINC001206660122 1029067671 /nfs/dbraw/zinc/06/76/71/1029067671.db2.gz XLZKHKDABIISRF-FIXISWKDSA-N 1 2 368.250 2.684 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc(C#N)cc1F)C2 ZINC001111672984 1029109584 /nfs/dbraw/zinc/10/95/84/1029109584.db2.gz TVNCTEFDKWOJMB-KKSFZXQISA-N 1 2 371.456 2.783 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(C#N)cc1F)C2 ZINC001111672984 1029109592 /nfs/dbraw/zinc/10/95/92/1029109592.db2.gz TVNCTEFDKWOJMB-KKSFZXQISA-N 1 2 371.456 2.783 20 30 FFEDLO CC[C@@H]1COCC[N@@H+]1CCNc1cc(Br)c(C#N)cc1F ZINC001164067305 1029162981 /nfs/dbraw/zinc/16/29/81/1029162981.db2.gz LENUMWNRMGGTRY-GFCCVEGCSA-N 1 2 356.239 2.983 20 30 FFEDLO CC[C@@H]1COCC[N@H+]1CCNc1cc(Br)c(C#N)cc1F ZINC001164067305 1029162988 /nfs/dbraw/zinc/16/29/88/1029162988.db2.gz LENUMWNRMGGTRY-GFCCVEGCSA-N 1 2 356.239 2.983 20 30 FFEDLO CC(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(C3CCCC3)no1)C2 ZINC001111736513 1029291059 /nfs/dbraw/zinc/29/10/59/1029291059.db2.gz LCGZKOUIWQHVBS-UWJYYQICSA-N 1 2 370.497 2.857 20 30 FFEDLO CC(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(C3CCCC3)no1)C2 ZINC001111736513 1029291072 /nfs/dbraw/zinc/29/10/72/1029291072.db2.gz LCGZKOUIWQHVBS-UWJYYQICSA-N 1 2 370.497 2.857 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164651377 1029348686 /nfs/dbraw/zinc/34/86/86/1029348686.db2.gz FLHGLHKBSZINPU-MRVPVSSYSA-N 1 2 358.179 2.783 20 30 FFEDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)c2[nH]nc3cc(C#N)ccc32)CC1 ZINC001156884094 1029389775 /nfs/dbraw/zinc/38/97/75/1029389775.db2.gz WRFDIYPPFBLMSC-UHFFFAOYSA-N 1 2 360.421 2.517 20 30 FFEDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)c2n[nH]c3cc(C#N)ccc32)CC1 ZINC001156884094 1029389787 /nfs/dbraw/zinc/38/97/87/1029389787.db2.gz WRFDIYPPFBLMSC-UHFFFAOYSA-N 1 2 360.421 2.517 20 30 FFEDLO CC(C)c1[nH]cc(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)[nH+]1 ZINC001157125610 1029475457 /nfs/dbraw/zinc/47/54/57/1029475457.db2.gz WVNYJSGHWXUODG-CQSZACIVSA-N 1 2 355.417 2.687 20 30 FFEDLO CC(C)c1[nH]c(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c[nH+]1 ZINC001157125610 1029475468 /nfs/dbraw/zinc/47/54/68/1029475468.db2.gz WVNYJSGHWXUODG-CQSZACIVSA-N 1 2 355.417 2.687 20 30 FFEDLO C[C@@H](c1cccc(NC(=O)NCc2ccc(C#N)cn2)c1)[NH+]1CCOCC1 ZINC000782035400 1029537294 /nfs/dbraw/zinc/53/72/94/1029537294.db2.gz PNZCCPFJIRARAO-HNNXBMFYSA-N 1 2 365.437 2.668 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(C(C)C)nn1)C2 ZINC001111851540 1029617157 /nfs/dbraw/zinc/61/71/57/1029617157.db2.gz DFTDEKCPKRMKJE-UWVAXJGDSA-N 1 2 359.518 2.932 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(C(C)C)nn1)C2 ZINC001111851540 1029617162 /nfs/dbraw/zinc/61/71/62/1029617162.db2.gz DFTDEKCPKRMKJE-UWVAXJGDSA-N 1 2 359.518 2.932 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1CC(C)C)C2 ZINC001111855574 1029626112 /nfs/dbraw/zinc/62/61/12/1029626112.db2.gz BWBCUBVDBATQBV-PXNSSMCTSA-N 1 2 359.518 2.761 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1CC(C)C)C2 ZINC001111855574 1029626117 /nfs/dbraw/zinc/62/61/17/1029626117.db2.gz BWBCUBVDBATQBV-PXNSSMCTSA-N 1 2 359.518 2.761 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(Nc2cccc(F)c2C#N)CCC1 ZINC001111910286 1029718193 /nfs/dbraw/zinc/71/81/93/1029718193.db2.gz PSQOEZDMKHOKKR-ZIAGYGMSSA-N 1 2 367.428 2.685 20 30 FFEDLO N#Cc1ccncc1C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001534257385 1069620305 /nfs/dbraw/zinc/62/03/05/1069620305.db2.gz VLRYTQPWSOJTNQ-UHFFFAOYSA-N 1 2 357.417 2.785 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cnns2)C1 ZINC001112150995 1030104509 /nfs/dbraw/zinc/10/45/09/1030104509.db2.gz VJAUBLHPHCJNKU-RAIGVLPGSA-N 1 2 362.421 2.619 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cnns2)C1 ZINC001112150994 1030105068 /nfs/dbraw/zinc/10/50/68/1030105068.db2.gz VJAUBLHPHCJNKU-CYZMBNFOSA-N 1 2 362.421 2.619 20 30 FFEDLO CCN(CC)c1ccnc([C@H]2COCCN2c2[nH+]c(C)ccc2CC#N)n1 ZINC001166430914 1030404905 /nfs/dbraw/zinc/40/49/05/1030404905.db2.gz SMUSVUOTZAZTRE-QGZVFWFLSA-N 1 2 366.469 2.670 20 30 FFEDLO C=CCC[C@@H]1NC(=O)N(C2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1=O ZINC000842244230 1030655370 /nfs/dbraw/zinc/65/53/70/1030655370.db2.gz KWKRGHFXRALLAW-SFHVURJKSA-N 1 2 356.470 2.608 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)c(C)cn1 ZINC001276416923 1030848371 /nfs/dbraw/zinc/84/83/71/1030848371.db2.gz QRUFDUIYSKSWFB-HZPDHXFCSA-N 1 2 364.287 2.904 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)c(C)cn1 ZINC001276416923 1030848387 /nfs/dbraw/zinc/84/83/87/1030848387.db2.gz QRUFDUIYSKSWFB-HZPDHXFCSA-N 1 2 364.287 2.904 20 30 FFEDLO N#Cc1ccc(C[N@H+]2Cc3nccn3C[C@H](COCc3cccnc3)C2)cc1 ZINC001203904075 1030972302 /nfs/dbraw/zinc/97/23/02/1030972302.db2.gz UMCFPXDQCRGVSY-OAQYLSRUSA-N 1 2 373.460 2.999 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2Cc3nccn3C[C@H](COCc3cccnc3)C2)cc1 ZINC001203904075 1030972314 /nfs/dbraw/zinc/97/23/14/1030972314.db2.gz UMCFPXDQCRGVSY-OAQYLSRUSA-N 1 2 373.460 2.999 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]Cc2cnon2)C1 ZINC001205649188 1031904459 /nfs/dbraw/zinc/90/44/59/1031904459.db2.gz VOTPUOBGYPVOOO-FUHWJXTLSA-N 1 2 358.417 2.649 20 30 FFEDLO COc1ccc(C[N@H+](CC2CC2)Cn2cccc(C#N)c2=O)c(OC)c1 ZINC000799959453 1031935035 /nfs/dbraw/zinc/93/50/35/1031935035.db2.gz ZSTLGMVAXLJPPA-UHFFFAOYSA-N 1 2 353.422 2.607 20 30 FFEDLO COc1ccc(C[N@@H+](CC2CC2)Cn2cccc(C#N)c2=O)c(OC)c1 ZINC000799959453 1031935046 /nfs/dbraw/zinc/93/50/46/1031935046.db2.gz ZSTLGMVAXLJPPA-UHFFFAOYSA-N 1 2 353.422 2.607 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3CC)[C@H]2C1 ZINC001223265368 1033363375 /nfs/dbraw/zinc/36/33/75/1033363375.db2.gz VKVBHIMMOWCYNU-MOPGFXCFSA-N 1 2 371.529 2.613 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3CC)[C@H]2C1 ZINC001223265368 1033363380 /nfs/dbraw/zinc/36/33/80/1033363380.db2.gz VKVBHIMMOWCYNU-MOPGFXCFSA-N 1 2 371.529 2.613 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001223338398 1033400998 /nfs/dbraw/zinc/40/09/98/1033400998.db2.gz OTSNBGDURBBJBU-SCTDSRPQSA-N 1 2 371.529 2.947 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001223338398 1033401005 /nfs/dbraw/zinc/40/10/05/1033401005.db2.gz OTSNBGDURBBJBU-SCTDSRPQSA-N 1 2 371.529 2.947 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3CC)[C@H]2C1 ZINC001223338374 1033401916 /nfs/dbraw/zinc/40/19/16/1033401916.db2.gz NUZFUKWUAGRWLQ-KURKYZTESA-N 1 2 359.518 2.632 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3CC)[C@H]2C1 ZINC001223338374 1033401919 /nfs/dbraw/zinc/40/19/19/1033401919.db2.gz NUZFUKWUAGRWLQ-KURKYZTESA-N 1 2 359.518 2.632 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c(F)cc(C)cc1F)C2 ZINC001276906825 1033529264 /nfs/dbraw/zinc/52/92/64/1033529264.db2.gz NFPKIAAOHOLVAW-IBGZPJMESA-N 1 2 350.409 2.510 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(F)cc(C)cc1F)C2 ZINC001276906825 1033529271 /nfs/dbraw/zinc/52/92/71/1033529271.db2.gz NFPKIAAOHOLVAW-IBGZPJMESA-N 1 2 350.409 2.510 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]3CC[N@@H+](Cc4ncnn4C)[C@H]3C2)CCCCC1 ZINC001223675302 1033546231 /nfs/dbraw/zinc/54/62/31/1033546231.db2.gz YHIBDRKZIFGQPB-MSOLQXFVSA-N 1 2 371.529 2.765 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]3CC[N@H+](Cc4ncnn4C)[C@H]3C2)CCCCC1 ZINC001223675302 1033546238 /nfs/dbraw/zinc/54/62/38/1033546238.db2.gz YHIBDRKZIFGQPB-MSOLQXFVSA-N 1 2 371.529 2.765 20 30 FFEDLO N#Cc1cc(C(=O)Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)ccc1O ZINC001219461067 1033656056 /nfs/dbraw/zinc/65/60/56/1033656056.db2.gz FTQHTVDSDPBNEB-QGZVFWFLSA-N 1 2 373.359 2.892 20 30 FFEDLO CCC(=CC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O)CC ZINC001219465722 1033659036 /nfs/dbraw/zinc/65/90/36/1033659036.db2.gz OHCHNVJIURGDED-MOPGFXCFSA-N 1 2 360.885 2.599 20 30 FFEDLO CCC(=CC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O)CC ZINC001219465722 1033659050 /nfs/dbraw/zinc/65/90/50/1033659050.db2.gz OHCHNVJIURGDED-MOPGFXCFSA-N 1 2 360.885 2.599 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@H](CC)c2ccc(F)cc2F)C[C@@H]1O ZINC001219490753 1033666623 /nfs/dbraw/zinc/66/66/23/1033666623.db2.gz XHDVYSMAFJBVBD-QRVBRYPASA-N 1 2 364.436 2.771 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)c2ccc(F)cc2F)C[C@@H]1O ZINC001219490753 1033666629 /nfs/dbraw/zinc/66/66/29/1033666629.db2.gz XHDVYSMAFJBVBD-QRVBRYPASA-N 1 2 364.436 2.771 20 30 FFEDLO N#CCC[N@H+]1CCC[C@]2(CCN(CC(=O)c3ccc(F)cc3)C2=O)CC1 ZINC001276949840 1033732657 /nfs/dbraw/zinc/73/26/57/1033732657.db2.gz XKICRLZFRWIGDX-HXUWFJFHSA-N 1 2 357.429 2.627 20 30 FFEDLO N#CCC[N@@H+]1CCC[C@]2(CCN(CC(=O)c3ccc(F)cc3)C2=O)CC1 ZINC001276949840 1033732671 /nfs/dbraw/zinc/73/26/71/1033732671.db2.gz XKICRLZFRWIGDX-HXUWFJFHSA-N 1 2 357.429 2.627 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001219708255 1033777464 /nfs/dbraw/zinc/77/74/64/1033777464.db2.gz QVPDBRHWUWMUJP-VUCTXSBTSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001219708255 1033777478 /nfs/dbraw/zinc/77/74/78/1033777478.db2.gz QVPDBRHWUWMUJP-VUCTXSBTSA-N 1 2 352.425 2.789 20 30 FFEDLO CC1(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CCCCC1 ZINC001219986375 1033928461 /nfs/dbraw/zinc/92/84/61/1033928461.db2.gz VDQUGGZZIIFZIK-SJORKVTESA-N 1 2 361.511 2.642 20 30 FFEDLO CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CCCCC1 ZINC001219986375 1033928468 /nfs/dbraw/zinc/92/84/68/1033928468.db2.gz VDQUGGZZIIFZIK-SJORKVTESA-N 1 2 361.511 2.642 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@@H]1O ZINC001220133675 1033999222 /nfs/dbraw/zinc/99/92/22/1033999222.db2.gz KLBSJRGYQAQBMW-SJORKVTESA-N 1 2 368.880 2.785 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)C[C@@H]1O ZINC001220133675 1033999232 /nfs/dbraw/zinc/99/92/32/1033999232.db2.gz KLBSJRGYQAQBMW-SJORKVTESA-N 1 2 368.880 2.785 20 30 FFEDLO C=CCN(C(=O)CCc1c[nH]c[nH+]1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001138239015 1034001296 /nfs/dbraw/zinc/00/12/96/1034001296.db2.gz NTKUBBYIJUMUEJ-GOSISDBHSA-N 1 2 355.438 2.531 20 30 FFEDLO C=CCN(C(=O)CCc1c[nH+]c[nH]1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001138239015 1034001303 /nfs/dbraw/zinc/00/13/03/1034001303.db2.gz NTKUBBYIJUMUEJ-GOSISDBHSA-N 1 2 355.438 2.531 20 30 FFEDLO CC(=O)[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C#N)cc1Cl)CC2 ZINC001277030948 1034193600 /nfs/dbraw/zinc/19/36/00/1034193600.db2.gz OGKBFJVJUAZCRZ-SUMWQHHRSA-N 1 2 373.884 2.907 20 30 FFEDLO C[N@@H+]1CCO[C@@H](COc2nc3ccc(Br)cc3cc2C#N)C1 ZINC001225412399 1034239752 /nfs/dbraw/zinc/23/97/52/1034239752.db2.gz WBAYVAMNNNPZPQ-CQSZACIVSA-N 1 2 362.227 2.578 20 30 FFEDLO C[N@H+]1CCO[C@@H](COc2nc3ccc(Br)cc3cc2C#N)C1 ZINC001225412399 1034239761 /nfs/dbraw/zinc/23/97/61/1034239761.db2.gz WBAYVAMNNNPZPQ-CQSZACIVSA-N 1 2 362.227 2.578 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2CCc3ncn(C)c3[C@@H]2COCC=C)cc1 ZINC001138558652 1034409894 /nfs/dbraw/zinc/40/98/94/1034409894.db2.gz CQVQPMJDTYIARO-FQEVSTJZSA-N 1 2 351.450 2.734 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2CCc3ncn(C)c3[C@@H]2COCC=C)cc1 ZINC001138558652 1034409899 /nfs/dbraw/zinc/40/98/99/1034409899.db2.gz CQVQPMJDTYIARO-FQEVSTJZSA-N 1 2 351.450 2.734 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2Cc3nn(C)cc3[C@H](COCC3CC3)C2)cc1 ZINC001138558998 1034412771 /nfs/dbraw/zinc/41/27/71/1034412771.db2.gz CCUYBMCKDZLQGW-IBGZPJMESA-N 1 2 365.477 2.958 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2Cc3nn(C)cc3[C@H](COCC3CC3)C2)cc1 ZINC001138558998 1034412773 /nfs/dbraw/zinc/41/27/73/1034412773.db2.gz CCUYBMCKDZLQGW-IBGZPJMESA-N 1 2 365.477 2.958 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001220841379 1034423651 /nfs/dbraw/zinc/42/36/51/1034423651.db2.gz WJDRJHXOCWVBLA-MSOLQXFVSA-N 1 2 351.491 2.785 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001220841379 1034423660 /nfs/dbraw/zinc/42/36/60/1034423660.db2.gz WJDRJHXOCWVBLA-MSOLQXFVSA-N 1 2 351.491 2.785 20 30 FFEDLO C=CCc1cccc(C[N@H+]2CCO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1O ZINC001138624322 1034475616 /nfs/dbraw/zinc/47/56/16/1034475616.db2.gz DGWLUOWIMPAPCO-QZTJIDSGSA-N 1 2 374.481 2.941 20 30 FFEDLO C=CCc1cccc(C[N@@H+]2CCO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1O ZINC001138624322 1034475622 /nfs/dbraw/zinc/47/56/22/1034475622.db2.gz DGWLUOWIMPAPCO-QZTJIDSGSA-N 1 2 374.481 2.941 20 30 FFEDLO CC[N@@H+](CCC#N)Cc1cnc2[nH]cc(I)c2c1 ZINC001138841114 1034735404 /nfs/dbraw/zinc/73/54/04/1034735404.db2.gz ZJVCLFKGFUFCQS-UHFFFAOYSA-N 1 2 354.195 2.903 20 30 FFEDLO CC[N@H+](CCC#N)Cc1cnc2[nH]cc(I)c2c1 ZINC001138841114 1034735393 /nfs/dbraw/zinc/73/53/93/1034735393.db2.gz ZJVCLFKGFUFCQS-UHFFFAOYSA-N 1 2 354.195 2.903 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221423794 1034738872 /nfs/dbraw/zinc/73/88/72/1034738872.db2.gz ROALBTHSJCBHQW-XFQXTVEOSA-N 1 2 371.456 2.711 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221423794 1034738886 /nfs/dbraw/zinc/73/88/86/1034738886.db2.gz ROALBTHSJCBHQW-XFQXTVEOSA-N 1 2 371.456 2.711 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(C)cc3)C[C@H]21 ZINC001221424724 1034743379 /nfs/dbraw/zinc/74/33/79/1034743379.db2.gz MLNFMSZPEBVTNU-ZHALLVOQSA-N 1 2 355.482 2.821 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(C)cc3)C[C@H]21 ZINC001221424724 1034743394 /nfs/dbraw/zinc/74/33/94/1034743394.db2.gz MLNFMSZPEBVTNU-ZHALLVOQSA-N 1 2 355.482 2.821 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)c(OC)c(F)c3)C[C@H]21 ZINC001221429001 1034747683 /nfs/dbraw/zinc/74/76/83/1034747683.db2.gz CPYIYTFRVGOEQB-RHSMWYFYSA-N 1 2 350.409 2.972 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)c(OC)c(F)c3)C[C@H]21 ZINC001221429001 1034747691 /nfs/dbraw/zinc/74/76/91/1034747691.db2.gz CPYIYTFRVGOEQB-RHSMWYFYSA-N 1 2 350.409 2.972 20 30 FFEDLO C#CC[NH+]1CCN(Cc2cc(Br)c(Br)o2)CC1 ZINC001138877718 1034768908 /nfs/dbraw/zinc/76/89/08/1034768908.db2.gz HOGZCSULLZLFKE-UHFFFAOYSA-N 1 2 362.065 2.555 20 30 FFEDLO CC[C@H](C)OCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221486455 1034812290 /nfs/dbraw/zinc/81/22/90/1034812290.db2.gz WCTIDNNVPAGCPK-POZUXBRTSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@H](C)OCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221486455 1034812296 /nfs/dbraw/zinc/81/22/96/1034812296.db2.gz WCTIDNNVPAGCPK-POZUXBRTSA-N 1 2 359.445 2.545 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3cccc(OC)c3)C[C@H]21 ZINC001221581068 1034894936 /nfs/dbraw/zinc/89/49/36/1034894936.db2.gz SKXSXQQSPGOEEO-VQIMIIECSA-N 1 2 371.481 2.523 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3cccc(OC)c3)C[C@H]21 ZINC001221581068 1034894940 /nfs/dbraw/zinc/89/49/40/1034894940.db2.gz SKXSXQQSPGOEEO-VQIMIIECSA-N 1 2 371.481 2.523 20 30 FFEDLO CCC[C@H](OC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221733352 1035024174 /nfs/dbraw/zinc/02/41/74/1035024174.db2.gz NPABKAATJLXBRP-LZQZEXGQSA-N 1 2 359.445 2.545 20 30 FFEDLO CCC[C@H](OC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221733352 1035024182 /nfs/dbraw/zinc/02/41/82/1035024182.db2.gz NPABKAATJLXBRP-LZQZEXGQSA-N 1 2 359.445 2.545 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001221735314 1035026601 /nfs/dbraw/zinc/02/66/01/1035026601.db2.gz CBRSBCAMRXIZGF-UYAOXDASSA-N 1 2 367.493 2.742 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001221735314 1035026610 /nfs/dbraw/zinc/02/66/10/1035026610.db2.gz CBRSBCAMRXIZGF-UYAOXDASSA-N 1 2 367.493 2.742 20 30 FFEDLO N#Cc1cc(F)cc(C[N@@H+]2CCCN(C(=O)Cc3ccccc3)CC2)c1 ZINC001139876350 1035263759 /nfs/dbraw/zinc/26/37/59/1035263759.db2.gz SYUVBPQGXXXOKH-UHFFFAOYSA-N 1 2 351.425 2.974 20 30 FFEDLO N#Cc1cc(F)cc(C[N@H+]2CCCN(C(=O)Cc3ccccc3)CC2)c1 ZINC001139876350 1035263763 /nfs/dbraw/zinc/26/37/63/1035263763.db2.gz SYUVBPQGXXXOKH-UHFFFAOYSA-N 1 2 351.425 2.974 20 30 FFEDLO CCNC(=O)C[N@H+](C)Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12 ZINC001140437476 1035477415 /nfs/dbraw/zinc/47/74/15/1035477415.db2.gz JASDPYUNYVBMIE-UHFFFAOYSA-N 1 2 370.453 2.864 20 30 FFEDLO CCNC(=O)C[N@@H+](C)Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12 ZINC001140437476 1035477416 /nfs/dbraw/zinc/47/74/16/1035477416.db2.gz JASDPYUNYVBMIE-UHFFFAOYSA-N 1 2 370.453 2.864 20 30 FFEDLO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1csc(NC(C)=O)n1)C2 ZINC001232284139 1035549812 /nfs/dbraw/zinc/54/98/12/1035549812.db2.gz GCPAUYHRQJEKIP-GOSISDBHSA-N 1 2 362.499 2.635 20 30 FFEDLO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1csc(NC(C)=O)n1)C2 ZINC001232284139 1035549824 /nfs/dbraw/zinc/54/98/24/1035549824.db2.gz GCPAUYHRQJEKIP-GOSISDBHSA-N 1 2 362.499 2.635 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccnc(C(F)(F)F)c1 ZINC001277656585 1035633273 /nfs/dbraw/zinc/63/32/73/1035633273.db2.gz BALSLWCXNBCQKV-QGZVFWFLSA-N 1 2 351.372 2.691 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccnc(C(F)(F)F)c1 ZINC001277656585 1035633281 /nfs/dbraw/zinc/63/32/81/1035633281.db2.gz BALSLWCXNBCQKV-QGZVFWFLSA-N 1 2 351.372 2.691 20 30 FFEDLO C#CC[NH+]1CCN(Cc2cc(Br)ccc2Br)CC1 ZINC001140634862 1035761111 /nfs/dbraw/zinc/76/11/11/1035761111.db2.gz VKRVBWIVSXXBOJ-UHFFFAOYSA-N 1 2 372.104 2.962 20 30 FFEDLO COCCOc1cccc(N2CC[NH+](Cc3cc(C#N)ccc3O)CC2)c1 ZINC001232677367 1035937237 /nfs/dbraw/zinc/93/72/37/1035937237.db2.gz BPWUWKDJZPPVJG-UHFFFAOYSA-N 1 2 367.449 2.611 20 30 FFEDLO C=C(C)CN1CC2(C[NH+](C[C@@H](O)CCCCCCCC)C2)OCC1=O ZINC001277733257 1036150002 /nfs/dbraw/zinc/15/00/02/1036150002.db2.gz CPSRXPFYQXELDU-SFHVURJKSA-N 1 2 352.519 2.587 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC001228515768 1036153975 /nfs/dbraw/zinc/15/39/75/1036153975.db2.gz BLPGCEXKUROALO-QYZOEREBSA-N 1 2 361.461 2.948 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)n1 ZINC001232924943 1036161103 /nfs/dbraw/zinc/16/11/03/1036161103.db2.gz GHKQZBRJQSHJRU-LAUBAEHRSA-N 1 2 364.449 2.798 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)n1 ZINC001232924943 1036161116 /nfs/dbraw/zinc/16/11/16/1036161116.db2.gz GHKQZBRJQSHJRU-LAUBAEHRSA-N 1 2 364.449 2.798 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC([N@H+](Cc2cccc(C#N)n2)C2COC2)CC1 ZINC001232925990 1036163086 /nfs/dbraw/zinc/16/30/86/1036163086.db2.gz WFPWDOFWEPICMZ-UHFFFAOYSA-N 1 2 372.469 2.554 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2cccc(C#N)n2)C2COC2)CC1 ZINC001232925990 1036163094 /nfs/dbraw/zinc/16/30/94/1036163094.db2.gz WFPWDOFWEPICMZ-UHFFFAOYSA-N 1 2 372.469 2.554 20 30 FFEDLO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(F)c(O)c1F)CC2 ZINC001232931687 1036166204 /nfs/dbraw/zinc/16/62/04/1036166204.db2.gz RMDLDDAZCZEERF-UHFFFAOYSA-N 1 2 352.381 2.891 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001228691110 1036262477 /nfs/dbraw/zinc/26/24/77/1036262477.db2.gz LSXUYEDZVOEGOB-HRFKEGQDSA-N 1 2 355.482 2.761 20 30 FFEDLO N#Cc1cc[nH]c1C[NH+]1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001233043422 1036289398 /nfs/dbraw/zinc/28/93/98/1036289398.db2.gz IOGSIEKXCYPXNY-UHFFFAOYSA-N 1 2 368.456 2.892 20 30 FFEDLO Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@H+](Cc4[nH]ccc4C#N)C3)C2)n1 ZINC001233043735 1036289451 /nfs/dbraw/zinc/28/94/51/1036289451.db2.gz FARJLLOSHRRCBC-QUCCMNQESA-N 1 2 352.438 2.540 20 30 FFEDLO Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@@H+](Cc4[nH]ccc4C#N)C3)C2)n1 ZINC001233043735 1036289467 /nfs/dbraw/zinc/28/94/67/1036289467.db2.gz FARJLLOSHRRCBC-QUCCMNQESA-N 1 2 352.438 2.540 20 30 FFEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001233045752 1036291834 /nfs/dbraw/zinc/29/18/34/1036291834.db2.gz VGWDHPSHUQGEGB-ICSRJNTNSA-N 1 2 370.428 2.871 20 30 FFEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001233045752 1036291849 /nfs/dbraw/zinc/29/18/49/1036291849.db2.gz VGWDHPSHUQGEGB-ICSRJNTNSA-N 1 2 370.428 2.871 20 30 FFEDLO CCOC[C@H]1Cn2nccc2C[N@H+](Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233100682 1036348376 /nfs/dbraw/zinc/34/83/76/1036348376.db2.gz KKBIKOSGAFJARM-OAHLLOKOSA-N 1 2 371.460 2.628 20 30 FFEDLO CCOC[C@H]1Cn2nccc2C[N@@H+](Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233100682 1036348385 /nfs/dbraw/zinc/34/83/85/1036348385.db2.gz KKBIKOSGAFJARM-OAHLLOKOSA-N 1 2 371.460 2.628 20 30 FFEDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)c(F)c1C#N ZINC001233102814 1036350881 /nfs/dbraw/zinc/35/08/81/1036350881.db2.gz OOGPVMWTPPZCEX-MRXNPFEDSA-N 1 2 358.461 2.644 20 30 FFEDLO CN(C)c1ccc(C[N@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)c(F)c1C#N ZINC001233102814 1036350900 /nfs/dbraw/zinc/35/09/00/1036350900.db2.gz OOGPVMWTPPZCEX-MRXNPFEDSA-N 1 2 358.461 2.644 20 30 FFEDLO COCC(COC)Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229766868 1036879909 /nfs/dbraw/zinc/87/99/09/1036879909.db2.gz VAJOSHHIZGQSNG-UHFFFAOYSA-N 1 2 352.394 2.617 20 30 FFEDLO Cc1ccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C2)c(C)c1 ZINC001206949923 1036972235 /nfs/dbraw/zinc/97/22/35/1036972235.db2.gz VGQZFWFNUZAQFB-IEBWSBKVSA-N 1 2 369.509 2.728 20 30 FFEDLO Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C2)c(C)c1 ZINC001206949923 1036972252 /nfs/dbraw/zinc/97/22/52/1036972252.db2.gz VGQZFWFNUZAQFB-IEBWSBKVSA-N 1 2 369.509 2.728 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@]3(CCN(CC4CCCC4)C3=O)C2)c1 ZINC001277849644 1037004936 /nfs/dbraw/zinc/00/49/36/1037004936.db2.gz DTWXYZIUWOJJQD-NRFANRHFSA-N 1 2 353.466 2.878 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@]3(CCN(CC4CCCC4)C3=O)C2)c1 ZINC001277849644 1037004955 /nfs/dbraw/zinc/00/49/55/1037004955.db2.gz DTWXYZIUWOJJQD-NRFANRHFSA-N 1 2 353.466 2.878 20 30 FFEDLO C=CCOC(=O)N1CC[NH+](C[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC001207317391 1037341178 /nfs/dbraw/zinc/34/11/78/1037341178.db2.gz DXXNCBVSMFHYFI-MRXNPFEDSA-N 1 2 367.490 2.716 20 30 FFEDLO CCOCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Cl)cc(C#N)c2)C1=O ZINC001277479483 1037437114 /nfs/dbraw/zinc/43/71/14/1037437114.db2.gz PPQHNJJVKJGTAI-IBGZPJMESA-N 1 2 361.873 2.815 20 30 FFEDLO CCOCCN1CC[C@@]2(CCC[N@H+]2Cc2cc(Cl)cc(C#N)c2)C1=O ZINC001277479483 1037437120 /nfs/dbraw/zinc/43/71/20/1037437120.db2.gz PPQHNJJVKJGTAI-IBGZPJMESA-N 1 2 361.873 2.815 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3nc4c(o3)CCCC4)C[C@H]2C)CCC1 ZINC001207522105 1037518910 /nfs/dbraw/zinc/51/89/10/1037518910.db2.gz WRYCQQHRXQEEGX-NVXWUHKLSA-N 1 2 355.482 2.684 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3nc4c(o3)CCCC4)C[C@H]2C)CCC1 ZINC001207522105 1037518921 /nfs/dbraw/zinc/51/89/21/1037518921.db2.gz WRYCQQHRXQEEGX-NVXWUHKLSA-N 1 2 355.482 2.684 20 30 FFEDLO C#CC[NH+]1CCN(Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001235390924 1037520596 /nfs/dbraw/zinc/52/05/96/1037520596.db2.gz RZKKCIJKBGZOMA-UHFFFAOYSA-N 1 2 355.482 2.688 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1nc3cc(F)ccc3[nH]1)CC2 ZINC001235687182 1037681997 /nfs/dbraw/zinc/68/19/97/1037681997.db2.gz BAILOOXSDKADCD-UHFFFAOYSA-N 1 2 355.417 2.696 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1nc3cc(F)ccc3[nH]1)CC2 ZINC001235687182 1037682007 /nfs/dbraw/zinc/68/20/07/1037682007.db2.gz BAILOOXSDKADCD-UHFFFAOYSA-N 1 2 355.417 2.696 20 30 FFEDLO C#Cc1cccc(CN2CCc3c([nH+]cn3C(C)C)[C@@H]2CNC(C)=O)c1 ZINC001231655081 1037779960 /nfs/dbraw/zinc/77/99/60/1037779960.db2.gz KTWAQSQLKNVSCB-FQEVSTJZSA-N 1 2 350.466 2.681 20 30 FFEDLO C#Cc1cccc(C[N@H+]2CCO[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c1 ZINC001231658052 1037781396 /nfs/dbraw/zinc/78/13/96/1037781396.db2.gz QCJHJWPXGMYYEW-OALUTQOASA-N 1 2 356.466 2.878 20 30 FFEDLO C#Cc1cccc(C[N@@H+]2CCO[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c1 ZINC001231658052 1037781413 /nfs/dbraw/zinc/78/14/13/1037781413.db2.gz QCJHJWPXGMYYEW-OALUTQOASA-N 1 2 356.466 2.878 20 30 FFEDLO N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2cccnc2C(F)(F)F)C1=O ZINC001276557370 1038058800 /nfs/dbraw/zinc/05/88/00/1038058800.db2.gz JUIKVEPABXGLRT-KRWDZBQOSA-N 1 2 366.387 2.971 20 30 FFEDLO N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cccnc2C(F)(F)F)C1=O ZINC001276557370 1038058823 /nfs/dbraw/zinc/05/88/23/1038058823.db2.gz JUIKVEPABXGLRT-KRWDZBQOSA-N 1 2 366.387 2.971 20 30 FFEDLO CC(C)NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cc(C#N)ccc1O)C2 ZINC001278894717 1038233567 /nfs/dbraw/zinc/23/35/67/1038233567.db2.gz WCOUAHIBXNWOQX-HXUWFJFHSA-N 1 2 356.470 2.670 20 30 FFEDLO CC(C)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cc(C#N)ccc1O)C2 ZINC001278894717 1038233581 /nfs/dbraw/zinc/23/35/81/1038233581.db2.gz WCOUAHIBXNWOQX-HXUWFJFHSA-N 1 2 356.470 2.670 20 30 FFEDLO O=C1C=C2C[N@H+](Cc3ccc(N4CCOCC4)cc3Cl)CC[C@@H]2S1 ZINC001236920947 1038357468 /nfs/dbraw/zinc/35/74/68/1038357468.db2.gz AXAOGAXIRUKTCY-KRWDZBQOSA-N 1 2 364.898 2.951 20 30 FFEDLO O=C1C=C2C[N@@H+](Cc3ccc(N4CCOCC4)cc3Cl)CC[C@@H]2S1 ZINC001236920947 1038357482 /nfs/dbraw/zinc/35/74/82/1038357482.db2.gz AXAOGAXIRUKTCY-KRWDZBQOSA-N 1 2 364.898 2.951 20 30 FFEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(F)cc(Cl)cc1OC)CC2 ZINC001278030260 1038368550 /nfs/dbraw/zinc/36/85/50/1038368550.db2.gz CTIVVLRQMOCFRH-HNNXBMFYSA-N 1 2 364.848 2.839 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(F)cc(Cl)cc1OC ZINC001278030566 1038369946 /nfs/dbraw/zinc/36/99/46/1038369946.db2.gz MZHJCQAYSHUUNR-HZPDHXFCSA-N 1 2 350.821 2.686 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(F)cc(Cl)cc1OC ZINC001278030566 1038369958 /nfs/dbraw/zinc/36/99/58/1038369958.db2.gz MZHJCQAYSHUUNR-HZPDHXFCSA-N 1 2 350.821 2.686 20 30 FFEDLO CCOC(=O)c1cc(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)[nH]n1 ZINC001237046553 1038422142 /nfs/dbraw/zinc/42/21/42/1038422142.db2.gz WGNXNQAMHGDNMY-KRWDZBQOSA-N 1 2 354.410 2.501 20 30 FFEDLO CCOC(=O)c1cc(C[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)[nH]n1 ZINC001237046553 1038422147 /nfs/dbraw/zinc/42/21/47/1038422147.db2.gz WGNXNQAMHGDNMY-KRWDZBQOSA-N 1 2 354.410 2.501 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCCCO2)C1 ZINC001209047626 1038650740 /nfs/dbraw/zinc/65/07/40/1038650740.db2.gz XBCXEOZMUSRKBT-BPLDGKMQSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCCCO2)C1 ZINC001209047626 1038650745 /nfs/dbraw/zinc/65/07/45/1038650745.db2.gz XBCXEOZMUSRKBT-BPLDGKMQSA-N 1 2 359.308 2.681 20 30 FFEDLO COC(=O)CC[C@H]([NH2+]C1CCC(c2ccc(C#N)cc2)CC1)C(=O)OC ZINC001257011374 1038679385 /nfs/dbraw/zinc/67/93/85/1038679385.db2.gz MKECWAWHSAEOCO-ABHNRTSZSA-N 1 2 358.438 2.669 20 30 FFEDLO N#Cc1ccc(NC(=S)N2CCn3c[nH+]cc3C2)cc1C(F)(F)F ZINC001245760890 1039105275 /nfs/dbraw/zinc/10/52/75/1039105275.db2.gz LHIWFCNPWOAOCJ-UHFFFAOYSA-N 1 2 351.357 2.986 20 30 FFEDLO CCCOc1ccc(Br)c(CN2CC[NH2+]C[C@@H]2C#N)c1F ZINC001210120480 1039392501 /nfs/dbraw/zinc/39/25/01/1039392501.db2.gz DORNNKABGMYUAH-NSHDSACASA-N 1 2 356.239 2.674 20 30 FFEDLO C=C[C@@](C)(O)CNc1ccc[nH+]c1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001252545043 1039591861 /nfs/dbraw/zinc/59/18/61/1039591861.db2.gz FKPMCGUCJQEDMN-AUUYWEPGSA-N 1 2 362.474 2.534 20 30 FFEDLO C=CCC[C@H](O)CNc1cncnc1[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001252587558 1039603739 /nfs/dbraw/zinc/60/37/39/1039603739.db2.gz FOMNBGYAWVCNOV-AZUAARDMSA-N 1 2 368.481 2.789 20 30 FFEDLO C=CCC[C@H](O)CNc1cncnc1[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001252587558 1039603746 /nfs/dbraw/zinc/60/37/46/1039603746.db2.gz FOMNBGYAWVCNOV-AZUAARDMSA-N 1 2 368.481 2.789 20 30 FFEDLO N#Cc1cc(Cl)c(-c2noc(CC[NH+]3CCOCC3)n2)cc1Cl ZINC001247455155 1039760719 /nfs/dbraw/zinc/76/07/19/1039760719.db2.gz IKWABEXUSNQFEU-UHFFFAOYSA-N 1 2 353.209 2.790 20 30 FFEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2cccc(-c3ccccc3)c2)CC1 ZINC001259234143 1039820411 /nfs/dbraw/zinc/82/04/11/1039820411.db2.gz NSMWJHKAJBMRSE-UHFFFAOYSA-N 1 2 355.463 2.620 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+](CC(=O)c3cc(F)ccc3O)CC2)C1=O ZINC001276698075 1040122606 /nfs/dbraw/zinc/12/26/06/1040122606.db2.gz MTEQLJLZUVRXCE-HXUWFJFHSA-N 1 2 360.429 2.605 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+](CC(=O)c3cc(F)ccc3O)CC2)C1=O ZINC001276698075 1040122614 /nfs/dbraw/zinc/12/26/14/1040122614.db2.gz MTEQLJLZUVRXCE-HXUWFJFHSA-N 1 2 360.429 2.605 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2OC)C[C@H]1OC ZINC001213263186 1040387417 /nfs/dbraw/zinc/38/74/17/1040387417.db2.gz YSJAQXPFCDVVJC-SJLPKXTDSA-N 1 2 364.461 2.752 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2OC)C[C@H]1OC ZINC001213263186 1040387426 /nfs/dbraw/zinc/38/74/26/1040387426.db2.gz YSJAQXPFCDVVJC-SJLPKXTDSA-N 1 2 364.461 2.752 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCc3c2c(F)ccc3F)C[C@H]1OC ZINC001213267987 1040391499 /nfs/dbraw/zinc/39/14/99/1040391499.db2.gz DUDTXPBOHPGICI-IXDOHACOSA-N 1 2 364.436 2.980 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3c2c(F)ccc3F)C[C@H]1OC ZINC001213267987 1040391511 /nfs/dbraw/zinc/39/15/11/1040391511.db2.gz DUDTXPBOHPGICI-IXDOHACOSA-N 1 2 364.436 2.980 20 30 FFEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001248748312 1040392969 /nfs/dbraw/zinc/39/29/69/1040392969.db2.gz FLONCXYSDGARNQ-GOSISDBHSA-N 1 2 359.470 2.846 20 30 FFEDLO CCc1cc(C#N)ccc1C[N@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001248748312 1040392979 /nfs/dbraw/zinc/39/29/79/1040392979.db2.gz FLONCXYSDGARNQ-GOSISDBHSA-N 1 2 359.470 2.846 20 30 FFEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCc2onc(C(=O)NC(C)C)c2C1 ZINC001248751170 1040395003 /nfs/dbraw/zinc/39/50/03/1040395003.db2.gz LTFDGXCPVFEXSF-UHFFFAOYSA-N 1 2 352.438 2.805 20 30 FFEDLO CCc1cc(C#N)ccc1C[N@H+]1CCc2onc(C(=O)NC(C)C)c2C1 ZINC001248751170 1040395012 /nfs/dbraw/zinc/39/50/12/1040395012.db2.gz LTFDGXCPVFEXSF-UHFFFAOYSA-N 1 2 352.438 2.805 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C(C)(C)C(C)(C)C ZINC001213275722 1040401181 /nfs/dbraw/zinc/40/11/81/1040401181.db2.gz QDLRVCZQTZYXGP-QZTJIDSGSA-N 1 2 357.498 2.946 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C(C)(C)C(C)(C)C ZINC001213275722 1040401190 /nfs/dbraw/zinc/40/11/90/1040401190.db2.gz QDLRVCZQTZYXGP-QZTJIDSGSA-N 1 2 357.498 2.946 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1OC ZINC001213317870 1040443514 /nfs/dbraw/zinc/44/35/14/1040443514.db2.gz YOFKFTATFCTQSV-FSPWUOQZSA-N 1 2 352.425 2.883 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1OC ZINC001213317870 1040443517 /nfs/dbraw/zinc/44/35/17/1040443517.db2.gz YOFKFTATFCTQSV-FSPWUOQZSA-N 1 2 352.425 2.883 20 30 FFEDLO CCCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213362496 1040476928 /nfs/dbraw/zinc/47/69/28/1040476928.db2.gz BQOQCPNDKLDXTP-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO CCCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213362496 1040476944 /nfs/dbraw/zinc/47/69/44/1040476944.db2.gz BQOQCPNDKLDXTP-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO COCCN1CC[N@H+](Cc2cc3ccc(C#N)cc3[nH]2)Cc2cccnc21 ZINC001249428210 1040756490 /nfs/dbraw/zinc/75/64/90/1040756490.db2.gz GSRYALZPAXJWDC-UHFFFAOYSA-N 1 2 361.449 2.903 20 30 FFEDLO COCCN1CC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)Cc2cccnc21 ZINC001249428210 1040756501 /nfs/dbraw/zinc/75/65/01/1040756501.db2.gz GSRYALZPAXJWDC-UHFFFAOYSA-N 1 2 361.449 2.903 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([N@@H+]3CC[C@H]4SC(=O)C=C4C3)C[C@@H]2C1 ZINC001254905810 1041040925 /nfs/dbraw/zinc/04/09/25/1041040925.db2.gz UKVLSINYZCPYHE-BFJAYTPKSA-N 1 2 364.511 2.906 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([N@H+]3CC[C@H]4SC(=O)C=C4C3)C[C@@H]2C1 ZINC001254905810 1041040943 /nfs/dbraw/zinc/04/09/43/1041040943.db2.gz UKVLSINYZCPYHE-BFJAYTPKSA-N 1 2 364.511 2.906 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1OC)c1ccccc1 ZINC001213898036 1041045334 /nfs/dbraw/zinc/04/53/34/1041045334.db2.gz VEDRKEPBKNJHKJ-PWIZWCRZSA-N 1 2 369.465 2.658 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1OC)c1ccccc1 ZINC001213898036 1041045345 /nfs/dbraw/zinc/04/53/45/1041045345.db2.gz VEDRKEPBKNJHKJ-PWIZWCRZSA-N 1 2 369.465 2.658 20 30 FFEDLO CC(=O)c1ccc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001261377729 1041200378 /nfs/dbraw/zinc/20/03/78/1041200378.db2.gz CVQBENVMRWWOLD-UHFFFAOYSA-N 1 2 367.449 2.559 20 30 FFEDLO Cc1ccccc1[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C)CC[NH2+]1 ZINC001214108398 1041243858 /nfs/dbraw/zinc/24/38/58/1041243858.db2.gz HLDYGSACBXRIME-SFHVURJKSA-N 1 2 355.463 2.510 20 30 FFEDLO COc1ccc(CN2CC3(CC[N@@H+]3Cc3cc(C#N)n(C)c3)C2)cc1F ZINC001278597797 1041357008 /nfs/dbraw/zinc/35/70/08/1041357008.db2.gz YWZXZCKBRWTJPF-UHFFFAOYSA-N 1 2 354.429 2.505 20 30 FFEDLO COc1ccc(CN2CC3(CC[N@H+]3Cc3cc(C#N)n(C)c3)C2)cc1F ZINC001278597797 1041357014 /nfs/dbraw/zinc/35/70/14/1041357014.db2.gz YWZXZCKBRWTJPF-UHFFFAOYSA-N 1 2 354.429 2.505 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(Cc3ccccc3)no2)C1 ZINC001214305432 1041368091 /nfs/dbraw/zinc/36/80/91/1041368091.db2.gz CJGWJYIEIQMDDC-NVXWUHKLSA-N 1 2 354.454 2.563 20 30 FFEDLO C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4cc(C#N)ccc4F)nc3c2)CC1 ZINC001250796634 1041369820 /nfs/dbraw/zinc/36/98/20/1041369820.db2.gz UXUGYZSUNSPUDI-UHFFFAOYSA-N 1 2 363.396 2.628 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC001262947544 1041982114 /nfs/dbraw/zinc/98/21/14/1041982114.db2.gz NRIDOPHDWHHFPY-XGXHKWSGSA-N 1 2 367.497 2.789 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC001262947544 1041982118 /nfs/dbraw/zinc/98/21/18/1041982118.db2.gz NRIDOPHDWHHFPY-XGXHKWSGSA-N 1 2 367.497 2.789 20 30 FFEDLO C=CCn1c(N(Cc2ccccc2)C2CC2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001262987744 1042011677 /nfs/dbraw/zinc/01/16/77/1042011677.db2.gz FWLJVBNEFOIVGR-GHTZIAJQSA-N 1 2 367.497 2.545 20 30 FFEDLO C=CCn1c(N(Cc2ccccc2)C2CC2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001262987744 1042011682 /nfs/dbraw/zinc/01/16/82/1042011682.db2.gz FWLJVBNEFOIVGR-GHTZIAJQSA-N 1 2 367.497 2.545 20 30 FFEDLO C#CC1CCN(c2nnc(Cc3[nH+]ccn3C)n2CCc2ccccc2)CC1 ZINC001263172047 1042147883 /nfs/dbraw/zinc/14/78/83/1042147883.db2.gz JILBEZUEELERCP-UHFFFAOYSA-N 1 2 374.492 2.695 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@@H](C)CC1 ZINC001263316413 1042236932 /nfs/dbraw/zinc/23/69/32/1042236932.db2.gz TWIFNTHQTGVVPH-QGZVFWFLSA-N 1 2 361.534 2.685 20 30 FFEDLO CC(C)Cn1c(C[NH+]2CCCC2)nnc1N1Cc2cccc(C#N)c2C1 ZINC001263420845 1042297454 /nfs/dbraw/zinc/29/74/54/1042297454.db2.gz YBUYCSAJVNFHCP-UHFFFAOYSA-N 1 2 350.470 2.922 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(C)COC)C1 ZINC001263886110 1042509120 /nfs/dbraw/zinc/50/91/20/1042509120.db2.gz YGUSNCJJVGIDDO-DLBZAZTESA-N 1 2 350.890 2.996 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(C)COC)C1 ZINC001263886110 1042509123 /nfs/dbraw/zinc/50/91/23/1042509123.db2.gz YGUSNCJJVGIDDO-DLBZAZTESA-N 1 2 350.890 2.996 20 30 FFEDLO C=CCC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)[C@@H]1C)c1ccccc1 ZINC001264178273 1042655860 /nfs/dbraw/zinc/65/58/60/1042655860.db2.gz YGGDUCQWXNJYRV-UXPWSPDFSA-N 1 2 367.497 2.644 20 30 FFEDLO C=CCC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)[C@@H]1C)c1ccccc1 ZINC001264178273 1042655863 /nfs/dbraw/zinc/65/58/63/1042655863.db2.gz YGGDUCQWXNJYRV-UXPWSPDFSA-N 1 2 367.497 2.644 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nncn2C)C[C@H]1c1ccccc1 ZINC001264446899 1042674825 /nfs/dbraw/zinc/67/48/25/1042674825.db2.gz PMEAAHVOUUXWJS-RYQLBKOJSA-N 1 2 367.497 2.673 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nncn2C)C[C@H]1c1ccccc1 ZINC001264446899 1042674827 /nfs/dbraw/zinc/67/48/27/1042674827.db2.gz PMEAAHVOUUXWJS-RYQLBKOJSA-N 1 2 367.497 2.673 20 30 FFEDLO COc1ccc([C@@H]2CC[N@H+](CCF)C[C@@H]2NC(=O)C#CC(C)(C)C)cc1 ZINC001264597581 1042734125 /nfs/dbraw/zinc/73/41/25/1042734125.db2.gz NXXQXOSNXBQHHN-OALUTQOASA-N 1 2 360.473 2.988 20 30 FFEDLO COc1ccc([C@@H]2CC[N@@H+](CCF)C[C@@H]2NC(=O)C#CC(C)(C)C)cc1 ZINC001264597581 1042734130 /nfs/dbraw/zinc/73/41/30/1042734130.db2.gz NXXQXOSNXBQHHN-OALUTQOASA-N 1 2 360.473 2.988 20 30 FFEDLO Cc1ncsc1CN1CCO[C@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001279372921 1043034002 /nfs/dbraw/zinc/03/40/02/1043034002.db2.gz MNXMFTOLKHRZJU-ROUUACIJSA-N 1 2 372.469 2.548 20 30 FFEDLO Cc1ncsc1CN1CCO[C@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001279372921 1043034005 /nfs/dbraw/zinc/03/40/05/1043034005.db2.gz MNXMFTOLKHRZJU-ROUUACIJSA-N 1 2 372.469 2.548 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccc3nccc(Cl)c3c2)CC1 ZINC001237268074 1043083217 /nfs/dbraw/zinc/08/32/17/1043083217.db2.gz GOGFUQXIHYJDSX-UHFFFAOYSA-N 1 2 364.840 2.872 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(Cc4ccc(F)c(F)c4F)C3)C2)cc1C#N ZINC001279434323 1043109464 /nfs/dbraw/zinc/10/94/64/1043109464.db2.gz QQOCTHQVKFBTPA-UHFFFAOYSA-N 1 2 360.383 2.632 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)ccn1 ZINC001237467290 1043184320 /nfs/dbraw/zinc/18/43/20/1043184320.db2.gz ZMPSDXZLROMRHO-SESVDKBCSA-N 1 2 364.449 2.544 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)ccn1 ZINC001237467290 1043184327 /nfs/dbraw/zinc/18/43/27/1043184327.db2.gz ZMPSDXZLROMRHO-SESVDKBCSA-N 1 2 364.449 2.544 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237615641 1043273426 /nfs/dbraw/zinc/27/34/26/1043273426.db2.gz YDZDCSUXBJKMAB-INIZCTEOSA-N 1 2 355.442 2.695 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237615641 1043273429 /nfs/dbraw/zinc/27/34/29/1043273429.db2.gz YDZDCSUXBJKMAB-INIZCTEOSA-N 1 2 355.442 2.695 20 30 FFEDLO N#Cc1cc[nH]c1C[N@H+]1CCCC2(CN(C(=O)Cc3ccsc3)C2)C1 ZINC001279686318 1043467252 /nfs/dbraw/zinc/46/72/52/1043467252.db2.gz VCQLQSGOVUEZTL-UHFFFAOYSA-N 1 2 354.479 2.615 20 30 FFEDLO N#Cc1cc[nH]c1C[N@@H+]1CCCC2(CN(C(=O)Cc3ccsc3)C2)C1 ZINC001279686318 1043467261 /nfs/dbraw/zinc/46/72/61/1043467261.db2.gz VCQLQSGOVUEZTL-UHFFFAOYSA-N 1 2 354.479 2.615 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001309797976 1043531505 /nfs/dbraw/zinc/53/15/05/1043531505.db2.gz TYBWSQYEVIQUKC-LJQANCHMSA-N 1 2 351.431 2.584 20 30 FFEDLO COc1cc(C[N@@H+]2CC[C@@H](n3cc(Br)cn3)C2)ccc1C#N ZINC001238415628 1043693431 /nfs/dbraw/zinc/69/34/31/1043693431.db2.gz ABMYSPQLEMRDFP-OAHLLOKOSA-N 1 2 361.243 2.973 20 30 FFEDLO COc1cc(C[N@H+]2CC[C@@H](n3cc(Br)cn3)C2)ccc1C#N ZINC001238415628 1043693440 /nfs/dbraw/zinc/69/34/40/1043693440.db2.gz ABMYSPQLEMRDFP-OAHLLOKOSA-N 1 2 361.243 2.973 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CC[C@H]3C[C@]32C(=O)Nc2nccn2C)cc1 ZINC001279852382 1043775835 /nfs/dbraw/zinc/77/58/35/1043775835.db2.gz ZUMWXNAMYDDENN-OXJNMPFZSA-N 1 2 352.438 2.588 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)Nc2nccn2C)cc1 ZINC001279852382 1043775839 /nfs/dbraw/zinc/77/58/39/1043775839.db2.gz ZUMWXNAMYDDENN-OXJNMPFZSA-N 1 2 352.438 2.588 20 30 FFEDLO N#CCC1CN(C(=O)c2cc3c([nH]2)C[N@H+](CCCC(F)(F)F)CC3)C1 ZINC001279888971 1043855344 /nfs/dbraw/zinc/85/53/44/1043855344.db2.gz BDIMTLGCAAIVEV-UHFFFAOYSA-N 1 2 354.376 2.701 20 30 FFEDLO N#CCC1CN(C(=O)c2cc3c([nH]2)C[N@@H+](CCCC(F)(F)F)CC3)C1 ZINC001279888971 1043855360 /nfs/dbraw/zinc/85/53/60/1043855360.db2.gz BDIMTLGCAAIVEV-UHFFFAOYSA-N 1 2 354.376 2.701 20 30 FFEDLO COc1ccc(Cl)cc1C[NH+]1CC2(C[C@@H]2C(=O)NC2(C#N)CCC2)C1 ZINC001279934017 1043942270 /nfs/dbraw/zinc/94/22/70/1043942270.db2.gz UJZFWBAUMDOOEG-OAHLLOKOSA-N 1 2 359.857 2.733 20 30 FFEDLO C=CCCNC(=S)N1CCC2(C[NH+](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC001279936630 1043948333 /nfs/dbraw/zinc/94/83/33/1043948333.db2.gz OKGDVKAGOLWRAZ-UHFFFAOYSA-N 1 2 369.538 2.911 20 30 FFEDLO Cc1c[nH]c(C[N@@H+]2CCc3cc(C(=O)NC4(C#N)CCC4)[nH]c3C2)c1C ZINC001280036790 1044115244 /nfs/dbraw/zinc/11/52/44/1044115244.db2.gz RTMCJHJOULLPPH-UHFFFAOYSA-N 1 2 351.454 2.694 20 30 FFEDLO Cc1c[nH]c(C[N@H+]2CCc3cc(C(=O)NC4(C#N)CCC4)[nH]c3C2)c1C ZINC001280036790 1044115247 /nfs/dbraw/zinc/11/52/47/1044115247.db2.gz RTMCJHJOULLPPH-UHFFFAOYSA-N 1 2 351.454 2.694 20 30 FFEDLO Cc1ncsc1C[N@@H+]1CCO[C@]2(CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001280093379 1044197301 /nfs/dbraw/zinc/19/73/01/1044197301.db2.gz ZRKAMSRRBHUXMG-LJQANCHMSA-N 1 2 369.494 2.590 20 30 FFEDLO Cc1ncsc1C[N@H+]1CCO[C@]2(CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001280093379 1044197305 /nfs/dbraw/zinc/19/73/05/1044197305.db2.gz ZRKAMSRRBHUXMG-LJQANCHMSA-N 1 2 369.494 2.590 20 30 FFEDLO C=CCCCN1CCn2cc(C(=O)Nc3cccc4[nH+]ccn43)nc2C1 ZINC001280121678 1044251516 /nfs/dbraw/zinc/25/15/16/1044251516.db2.gz VKPQGEYCVAEULT-UHFFFAOYSA-N 1 2 350.426 2.565 20 30 FFEDLO COC(=O)c1cc(C#N)cc(-c2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001240451097 1044348516 /nfs/dbraw/zinc/34/85/16/1044348516.db2.gz GLEJRLFHYQQDBV-UHFFFAOYSA-N 1 2 366.417 2.723 20 30 FFEDLO COC(=O)c1ccc(C#N)cc1-c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001240451827 1044349689 /nfs/dbraw/zinc/34/96/89/1044349689.db2.gz GZGZGANYPUQQNV-UHFFFAOYSA-N 1 2 366.417 2.723 20 30 FFEDLO N#CCCCCN1CC[N@@H+](CCCC(F)(F)F)C[C@@]2(CCCC(=O)N2)C1 ZINC001280186837 1044371473 /nfs/dbraw/zinc/37/14/73/1044371473.db2.gz WGYVRPJDWZGPEL-QGZVFWFLSA-N 1 2 374.451 2.679 20 30 FFEDLO N#CCCCCN1CC[N@H+](CCCC(F)(F)F)C[C@@]2(CCCC(=O)N2)C1 ZINC001280186837 1044371482 /nfs/dbraw/zinc/37/14/82/1044371482.db2.gz WGYVRPJDWZGPEL-QGZVFWFLSA-N 1 2 374.451 2.679 20 30 FFEDLO CN1CC[NH+](C2(c3ccc(-c4cc5[nH]cnc5c(C#N)n4)cc3)CC2)CC1 ZINC001240573657 1044391071 /nfs/dbraw/zinc/39/10/71/1044391071.db2.gz OUOFFWITMKVAEO-UHFFFAOYSA-N 1 2 358.449 2.733 20 30 FFEDLO N#CCC1CN(C(=O)[C@@]23C[C@@H]2CC[N@H+]3Cc2ccccc2OC(F)F)C1 ZINC001280205727 1044397670 /nfs/dbraw/zinc/39/76/70/1044397670.db2.gz CWEHRJPBIJBIIC-HNAYVOBHSA-N 1 2 361.392 2.624 20 30 FFEDLO N#CCC1CN(C(=O)[C@@]23C[C@@H]2CC[N@@H+]3Cc2ccccc2OC(F)F)C1 ZINC001280205727 1044397682 /nfs/dbraw/zinc/39/76/82/1044397682.db2.gz CWEHRJPBIJBIIC-HNAYVOBHSA-N 1 2 361.392 2.624 20 30 FFEDLO C#CCN(C)c1nnc([C@@H]2CCCCO2)n1CCCc1cccc(C)[nH+]1 ZINC001539176568 1070579571 /nfs/dbraw/zinc/57/95/71/1070579571.db2.gz QRIGVORBRIIMIR-SFHVURJKSA-N 1 2 353.470 2.925 20 30 FFEDLO COc1c(Cl)cccc1C[NH+]1CC2(C[C@@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001280297263 1044564689 /nfs/dbraw/zinc/56/46/89/1044564689.db2.gz JFCSUDGCUVUDQU-OAHLLOKOSA-N 1 2 359.857 2.543 20 30 FFEDLO N#Cc1cc(-c2ccc(OCC[NH+]3CCOCC3)cc2F)nc(C2CC2)n1 ZINC001244135609 1045085034 /nfs/dbraw/zinc/08/50/34/1045085034.db2.gz LXDNMTKYOQENOH-UHFFFAOYSA-N 1 2 368.412 2.743 20 30 FFEDLO N#Cc1cnc2cc[nH]c(-c3ccc(OCC[NH+]4CCOCC4)cc3F)c1-2 ZINC001244137665 1045089966 /nfs/dbraw/zinc/08/99/66/1045089966.db2.gz ZFKQKEJKJWQQIR-UHFFFAOYSA-N 1 2 366.396 2.952 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001317464188 1045099909 /nfs/dbraw/zinc/09/99/09/1045099909.db2.gz QVPOBUOPHOBUSX-OALUTQOASA-N 1 2 369.465 2.871 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001317464188 1045099918 /nfs/dbraw/zinc/09/99/18/1045099918.db2.gz QVPOBUOPHOBUSX-OALUTQOASA-N 1 2 369.465 2.871 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@H]2C)CCC1 ZINC001281802180 1045158070 /nfs/dbraw/zinc/15/80/70/1045158070.db2.gz XPSWPUGFRAVSFP-BRWVUGGUSA-N 1 2 358.486 2.544 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3C)n2Cc2ccoc2)CC1 ZINC001539440819 1070638112 /nfs/dbraw/zinc/63/81/12/1070638112.db2.gz BKIVHRINCRQXGO-UHFFFAOYSA-N 1 2 361.449 2.650 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CC[C@@H](C)C2)CC1 ZINC001539444498 1070639464 /nfs/dbraw/zinc/63/94/64/1070639464.db2.gz PYIBUNFBVUBDGN-QZTJIDSGSA-N 1 2 364.497 2.532 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2CCCCCOC)CC1 ZINC001539446646 1070639554 /nfs/dbraw/zinc/63/95/54/1070639554.db2.gz HQJURUAIWDZBNY-UHFFFAOYSA-N 1 2 359.518 2.508 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2C[C@H]2CCC[C@H]2CC)CC1 ZINC001539453705 1070641929 /nfs/dbraw/zinc/64/19/29/1070641929.db2.gz CEIFYAITOSMAFH-RTBURBONSA-N 1 2 355.530 2.812 20 30 FFEDLO C=CCCCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001282150804 1045385970 /nfs/dbraw/zinc/38/59/70/1045385970.db2.gz LVHFHBBKYGFIOO-XHSDSOJGSA-N 1 2 358.486 2.587 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)CCCCC1 ZINC001282359799 1045535549 /nfs/dbraw/zinc/53/55/49/1045535549.db2.gz AQYABPXNGBHUCA-SJORKVTESA-N 1 2 358.486 2.515 20 30 FFEDLO Cc1nc(N2CCOCC2)sc1C=[NH+]Nc1cccc([N+](=O)[O-])c1C ZINC001322405592 1046070495 /nfs/dbraw/zinc/07/04/95/1046070495.db2.gz QXNGNQPFFVXEJA-UHFFFAOYSA-N 1 2 361.427 2.951 20 30 FFEDLO C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001282752441 1046154968 /nfs/dbraw/zinc/15/49/68/1046154968.db2.gz NAMOMQSUQRDTBA-BDXSIMOUSA-N 1 2 372.513 2.931 20 30 FFEDLO C=CCC1(C(=O)N(C)[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001285721499 1046911504 /nfs/dbraw/zinc/91/15/04/1046911504.db2.gz MWXPKLHWTYMKKV-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCC1(C(=O)N(C)[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001285721499 1046911515 /nfs/dbraw/zinc/91/15/15/1046911515.db2.gz MWXPKLHWTYMKKV-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C#CCN(CC#C)c1nnc(C2CCCC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001286413629 1047103749 /nfs/dbraw/zinc/10/37/49/1047103749.db2.gz MDXKNSMJUZHDPV-UHFFFAOYSA-N 1 2 362.481 2.518 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CCC2CC(OCC)C2)CC1 ZINC001286472907 1047120872 /nfs/dbraw/zinc/12/08/72/1047120872.db2.gz XANUPOFQFUVYPE-VIQWUECVSA-N 1 2 373.545 2.752 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@@H]1N(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC2 ZINC001287973865 1047383220 /nfs/dbraw/zinc/38/32/20/1047383220.db2.gz KOSYKXCBFIJYRM-RDBAUFEQSA-N 1 2 370.497 2.520 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1C ZINC001290700346 1048319953 /nfs/dbraw/zinc/31/99/53/1048319953.db2.gz HBCXCBYPMOQSOO-PMPSAXMXSA-N 1 2 354.454 2.656 20 30 FFEDLO C=C(Br)CNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001328773306 1048460590 /nfs/dbraw/zinc/46/05/90/1048460590.db2.gz ZCBOEVSMGONVDU-UHFFFAOYSA-N 1 2 356.268 2.528 20 30 FFEDLO Cc1cc(CNC(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc(C)[nH+]1 ZINC001329021320 1048554356 /nfs/dbraw/zinc/55/43/56/1048554356.db2.gz XZCXBGJDQBFGFG-UHFFFAOYSA-N 1 2 374.444 2.502 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@](O)(c3ccccc3)C2)C1=O ZINC001329919702 1048968404 /nfs/dbraw/zinc/96/84/04/1048968404.db2.gz KFJKVTYJCMNJRJ-PXNSSMCTSA-N 1 2 367.474 2.709 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@](O)(c3ccccc3)C2)C1=O ZINC001329919702 1048968416 /nfs/dbraw/zinc/96/84/16/1048968416.db2.gz KFJKVTYJCMNJRJ-PXNSSMCTSA-N 1 2 367.474 2.709 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1C[C@@H](CC)O[C@@H](CC)C1 ZINC001341756619 1050374512 /nfs/dbraw/zinc/37/45/12/1050374512.db2.gz XGNDSMWERZXHDT-IYBDPMFKSA-N 1 2 358.490 2.572 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)Cc1ccco1 ZINC001340194722 1050603195 /nfs/dbraw/zinc/60/31/95/1050603195.db2.gz DOBXWBWMVCKEEH-RDJZCZTQSA-N 1 2 357.458 2.619 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)Cc1ccco1 ZINC001340194722 1050603201 /nfs/dbraw/zinc/60/32/01/1050603201.db2.gz DOBXWBWMVCKEEH-RDJZCZTQSA-N 1 2 357.458 2.619 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(Cc1ccccc1)C(C)C ZINC001340252571 1050659391 /nfs/dbraw/zinc/65/93/91/1050659391.db2.gz RJPHHGPJOXCLBU-QZTJIDSGSA-N 1 2 355.486 2.617 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(Cc1ccccc1)C(C)C ZINC001340252571 1050659398 /nfs/dbraw/zinc/65/93/98/1050659398.db2.gz RJPHHGPJOXCLBU-QZTJIDSGSA-N 1 2 355.486 2.617 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)Cc1cc2ccccc2o1 ZINC001340258799 1050664424 /nfs/dbraw/zinc/66/44/24/1050664424.db2.gz NSZGBGUJRQNLMV-NVXWUHKLSA-N 1 2 367.453 2.584 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)Cc1cc2ccccc2o1 ZINC001340258799 1050664434 /nfs/dbraw/zinc/66/44/34/1050664434.db2.gz NSZGBGUJRQNLMV-NVXWUHKLSA-N 1 2 367.453 2.584 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@H](C/C=C\C)C1 ZINC001342149574 1050743086 /nfs/dbraw/zinc/74/30/86/1050743086.db2.gz HYWFXXMKCPNYHL-AJNOYIKESA-N 1 2 373.545 2.851 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC001340389703 1050784872 /nfs/dbraw/zinc/78/48/72/1050784872.db2.gz IEZQUTRLWQAFOI-HZMVEIRTSA-N 1 2 359.518 2.607 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC001340389703 1050784889 /nfs/dbraw/zinc/78/48/89/1050784889.db2.gz IEZQUTRLWQAFOI-HZMVEIRTSA-N 1 2 359.518 2.607 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)Cc1cccc(C#N)c1 ZINC001340422833 1050817437 /nfs/dbraw/zinc/81/74/37/1050817437.db2.gz VRBPIDHLHTULSU-UHFFFAOYSA-N 1 2 350.470 2.958 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC001342247116 1050839381 /nfs/dbraw/zinc/83/93/81/1050839381.db2.gz HVCHANMECWUUJA-KSZLIROESA-N 1 2 372.517 2.764 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC001342247116 1050839389 /nfs/dbraw/zinc/83/93/89/1050839389.db2.gz HVCHANMECWUUJA-KSZLIROESA-N 1 2 372.517 2.764 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C[C@@H]1CCC(=O)N1)C(C)C ZINC001342327812 1050921474 /nfs/dbraw/zinc/92/14/74/1050921474.db2.gz FVIPQCPJZRFFRN-DLBZAZTESA-N 1 2 374.533 2.504 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N(C[C@@H]1CCC(=O)N1)C(C)C ZINC001342327812 1050921479 /nfs/dbraw/zinc/92/14/79/1050921479.db2.gz FVIPQCPJZRFFRN-DLBZAZTESA-N 1 2 374.533 2.504 20 30 FFEDLO CCOCCCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001342366198 1050959712 /nfs/dbraw/zinc/95/97/12/1050959712.db2.gz ZOSCWLHUHQVALM-SFHVURJKSA-N 1 2 374.533 2.821 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC001340732923 1051091116 /nfs/dbraw/zinc/09/11/16/1051091116.db2.gz KUUQACPBDWLRHL-SJORKVTESA-N 1 2 370.501 2.574 20 30 FFEDLO C=C(C)Cn1c([C@@H](O)C2CC2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001343052593 1051669253 /nfs/dbraw/zinc/66/92/53/1051669253.db2.gz HTGGJVBYEBKNIO-SFHVURJKSA-N 1 2 368.485 2.774 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc(C[NH+]2CCCC2)n1C[C@H]1CCCO1 ZINC001343127268 1051746974 /nfs/dbraw/zinc/74/69/74/1051746974.db2.gz UAJQQFCZFQOHJX-QZTJIDSGSA-N 1 2 359.518 2.988 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@](C)(CC)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001343404054 1052208855 /nfs/dbraw/zinc/20/88/55/1052208855.db2.gz ISMDZOUWBXEXFX-UXPWSPDFSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@](C)(CC)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001343404054 1052208866 /nfs/dbraw/zinc/20/88/66/1052208866.db2.gz ISMDZOUWBXEXFX-UXPWSPDFSA-N 1 2 361.534 2.782 20 30 FFEDLO N#CCOc1ccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC001542791193 1071300145 /nfs/dbraw/zinc/30/01/45/1071300145.db2.gz GSEOVVPOLQQHAA-UHFFFAOYSA-N 1 2 360.417 2.693 20 30 FFEDLO C[C@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001308011968 1052383622 /nfs/dbraw/zinc/38/36/22/1052383622.db2.gz UWPOQPKMWCPUDT-FXAWDEMLSA-N 1 2 354.498 2.717 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](Cn1c(C)nnc1N(CCC#N)CC1CC1)CCC2 ZINC001542832726 1071316631 /nfs/dbraw/zinc/31/66/31/1071316631.db2.gz WSQAUOYIIGAXDY-KRWDZBQOSA-N 1 2 353.474 2.799 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001344103595 1052597048 /nfs/dbraw/zinc/59/70/48/1052597048.db2.gz BLMBFWMUUFENKB-KZNAEPCWSA-N 1 2 370.497 2.571 20 30 FFEDLO C=CCCCN(CC)c1nnc(Cc2[nH+]ccn2C)n1C[C@H]1CCCO1 ZINC001344586930 1052846951 /nfs/dbraw/zinc/84/69/51/1052846951.db2.gz PKLRTSMKWZHDKR-MRXNPFEDSA-N 1 2 358.490 2.574 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3scnc3C3CC3)n2CC(=C)C)CC1 ZINC001346645736 1053181898 /nfs/dbraw/zinc/18/18/98/1053181898.db2.gz AAMGQNAFQULJMO-UHFFFAOYSA-N 1 2 368.510 2.610 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC2CC1(C)C2 ZINC001346647360 1053182681 /nfs/dbraw/zinc/18/26/81/1053182681.db2.gz RSFYPPNSGXWJSC-RXCRORICSA-N 1 2 357.502 2.769 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC2CC1(C)C2 ZINC001346647360 1053182687 /nfs/dbraw/zinc/18/26/87/1053182687.db2.gz RSFYPPNSGXWJSC-RXCRORICSA-N 1 2 357.502 2.769 20 30 FFEDLO CCOCCCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(C#N)CC1 ZINC001346828300 1053351820 /nfs/dbraw/zinc/35/18/20/1053351820.db2.gz GZDHWRBQPGDNDE-QGZVFWFLSA-N 1 2 360.506 2.601 20 30 FFEDLO CCOCCCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(C#N)CC1 ZINC001346828300 1053351837 /nfs/dbraw/zinc/35/18/37/1053351837.db2.gz GZDHWRBQPGDNDE-QGZVFWFLSA-N 1 2 360.506 2.601 20 30 FFEDLO C=CCOc1ccc(/C=C\C(=O)NCc2coc(C[NH+](C)C)n2)cc1OC ZINC001347450349 1053995744 /nfs/dbraw/zinc/99/57/44/1053995744.db2.gz VWOLLSUBSSUFLZ-CLFYSBASSA-N 1 2 371.437 2.639 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@@H]1c1cccc(C)c1 ZINC001351606063 1054918492 /nfs/dbraw/zinc/91/84/92/1054918492.db2.gz VTRCSXOCDQANMU-QRVBRYPASA-N 1 2 367.497 2.852 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H]1c1cccc(C)c1 ZINC001351606063 1054918499 /nfs/dbraw/zinc/91/84/99/1054918499.db2.gz VTRCSXOCDQANMU-QRVBRYPASA-N 1 2 367.497 2.852 20 30 FFEDLO C[NH+]1CCN(c2ccc(Nc3nnccc3C#N)cc2Br)CC1 ZINC001337956328 1055126189 /nfs/dbraw/zinc/12/61/89/1055126189.db2.gz DONMBYHFZDTCAT-UHFFFAOYSA-N 1 2 373.258 2.606 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@H]3CCCC[N@H+]3C)n2Cc2cc(C)on2)C1 ZINC001352105254 1055194600 /nfs/dbraw/zinc/19/46/00/1055194600.db2.gz SQBYDFLUXRTFMJ-SJLPKXTDSA-N 1 2 368.485 2.629 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2Cc2cc(C)on2)C1 ZINC001352105254 1055194605 /nfs/dbraw/zinc/19/46/05/1055194605.db2.gz SQBYDFLUXRTFMJ-SJLPKXTDSA-N 1 2 368.485 2.629 20 30 FFEDLO C[C@H]1c2ccccc2CN1c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001338139765 1055264482 /nfs/dbraw/zinc/26/44/82/1055264482.db2.gz YQMITIKZKNATSF-HNNXBMFYSA-N 1 2 350.470 2.989 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CCOC(C)(C)C ZINC001356082338 1055273605 /nfs/dbraw/zinc/27/36/05/1055273605.db2.gz BJYISRPSZGALGA-UHFFFAOYSA-N 1 2 374.533 2.808 20 30 FFEDLO CCn1c[nH+]cc1COC(=O)COc1cccc(Br)c1C#N ZINC001350332402 1055729889 /nfs/dbraw/zinc/72/98/89/1055729889.db2.gz CZDRIQXRYNZKSK-UHFFFAOYSA-N 1 2 364.199 2.659 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001338693909 1055736623 /nfs/dbraw/zinc/73/66/23/1055736623.db2.gz RPGIJAXOLWGGKB-FGTMMUONSA-N 1 2 357.502 2.648 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001338693909 1055736634 /nfs/dbraw/zinc/73/66/34/1055736634.db2.gz RPGIJAXOLWGGKB-FGTMMUONSA-N 1 2 357.502 2.648 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](Cc3ccccc3)CCO2)nnc1N(C)CC1CC1 ZINC001338806283 1055832965 /nfs/dbraw/zinc/83/29/65/1055832965.db2.gz BKEJEQJWDDXHKC-LJQANCHMSA-N 1 2 367.497 2.884 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](Cc3ccccc3)CCO2)nnc1N(C)CC1CC1 ZINC001338806283 1055832971 /nfs/dbraw/zinc/83/29/71/1055832971.db2.gz BKEJEQJWDDXHKC-LJQANCHMSA-N 1 2 367.497 2.884 20 30 FFEDLO COc1cc(C#N)ccc1OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001350742453 1055919068 /nfs/dbraw/zinc/91/90/68/1055919068.db2.gz WIPLRIGZYNMIPG-UHFFFAOYSA-N 1 2 364.317 2.880 20 30 FFEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1C[C@@H]2COC[C@@H]2C1 ZINC001338994944 1056000030 /nfs/dbraw/zinc/00/00/30/1056000030.db2.gz KIJJHUUIEHIPSA-QRQLOZEOSA-N 1 2 367.497 2.740 20 30 FFEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1C[C@@H]2COC[C@@H]2C1 ZINC001338994944 1056000043 /nfs/dbraw/zinc/00/00/43/1056000043.db2.gz KIJJHUUIEHIPSA-QRQLOZEOSA-N 1 2 367.497 2.740 20 30 FFEDLO Cn1c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001339035652 1056034942 /nfs/dbraw/zinc/03/49/42/1056034942.db2.gz MGKOBYWDWQNUGL-FXAWDEMLSA-N 1 2 368.460 2.984 20 30 FFEDLO Cn1c([C@@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001339035652 1056034954 /nfs/dbraw/zinc/03/49/54/1056034954.db2.gz MGKOBYWDWQNUGL-FXAWDEMLSA-N 1 2 368.460 2.984 20 30 FFEDLO C=CCn1c(N2CCC[C@]3(CC=CCC3)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001339069873 1056064904 /nfs/dbraw/zinc/06/49/04/1056064904.db2.gz SCLOFWNUPUXFOC-DZFGPLHGSA-N 1 2 371.529 2.702 20 30 FFEDLO C=CCn1c(N2CCC[C@]3(CC=CCC3)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339069873 1056064916 /nfs/dbraw/zinc/06/49/16/1056064916.db2.gz SCLOFWNUPUXFOC-DZFGPLHGSA-N 1 2 371.529 2.702 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(C2CC2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001358886816 1056582576 /nfs/dbraw/zinc/58/25/76/1056582576.db2.gz LCLGRSUFIOCOOX-HNNXBMFYSA-N 1 2 350.470 2.657 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCC[C@@H]2C)CC1 ZINC001359033853 1056667200 /nfs/dbraw/zinc/66/72/00/1056667200.db2.gz TYSIKWRGZXJIDY-HKUYNNGSSA-N 1 2 364.497 2.532 20 30 FFEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC001300392684 1056672902 /nfs/dbraw/zinc/67/29/02/1056672902.db2.gz GYFXANPVVMSXGG-HXUWFJFHSA-N 1 2 360.417 2.609 20 30 FFEDLO C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001359071146 1056691033 /nfs/dbraw/zinc/69/10/33/1056691033.db2.gz FYNLLPVVSWQRAF-DYESRHJHSA-N 1 2 373.545 2.580 20 30 FFEDLO C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001359071146 1056691044 /nfs/dbraw/zinc/69/10/44/1056691044.db2.gz FYNLLPVVSWQRAF-DYESRHJHSA-N 1 2 373.545 2.580 20 30 FFEDLO C#CCN(C)c1nnc(Cc2ccsc2)n1CCCNc1cccc[nH+]1 ZINC001300470611 1058452416 /nfs/dbraw/zinc/45/24/16/1058452416.db2.gz RVBYSGSSBSGNQB-UHFFFAOYSA-N 1 2 366.494 2.897 20 30 FFEDLO CCOCc1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001503004879 1058921165 /nfs/dbraw/zinc/92/11/65/1058921165.db2.gz RQXLGQXZXPYPRE-HOTGVXAUSA-N 1 2 371.489 2.636 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)n2CC=C)C1 ZINC001520245110 1059530927 /nfs/dbraw/zinc/53/09/27/1059530927.db2.gz SSKMKKULRWNOPR-QYZOEREBSA-N 1 2 369.513 2.630 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)n2CC=C)C1 ZINC001520245110 1059530943 /nfs/dbraw/zinc/53/09/43/1059530943.db2.gz SSKMKKULRWNOPR-QYZOEREBSA-N 1 2 369.513 2.630 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC001515323938 1059552638 /nfs/dbraw/zinc/55/26/38/1059552638.db2.gz JNZHJVSJRSEHJO-FUHIMQAGSA-N 1 2 360.502 2.619 20 30 FFEDLO C#CCN(C)c1nnc(Cc2ccccc2C)n1Cc1c[nH+]ccc1OC ZINC001507620680 1059664375 /nfs/dbraw/zinc/66/43/75/1059664375.db2.gz VIMUNUUGFZYXHK-UHFFFAOYSA-N 1 2 361.449 2.699 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CCC[C@@H]2CCCCO2)CC1 ZINC001507721317 1059699586 /nfs/dbraw/zinc/69/95/86/1059699586.db2.gz IVRYSFAHXYLWRU-SFHVURJKSA-N 1 2 373.545 2.680 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2Cc2csc(C)c2)CC1 ZINC001507721618 1059700128 /nfs/dbraw/zinc/70/01/28/1059700128.db2.gz KNRSKFNYQHCZJW-OAHLLOKOSA-N 1 2 357.527 2.965 20 30 FFEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCOC1 ZINC001515899354 1059874729 /nfs/dbraw/zinc/87/47/29/1059874729.db2.gz WYHZIBHQBZUTKI-IRXDYDNUSA-N 1 2 372.517 2.601 20 30 FFEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCOC1 ZINC001515899354 1059874751 /nfs/dbraw/zinc/87/47/51/1059874751.db2.gz WYHZIBHQBZUTKI-IRXDYDNUSA-N 1 2 372.517 2.601 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc(Cc2[nH+]ccn2Cc2ccccc2)n1C ZINC001355325181 1060126224 /nfs/dbraw/zinc/12/62/24/1060126224.db2.gz DYPUZDCANFPMBQ-SFHVURJKSA-N 1 2 360.465 2.643 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCCO1 ZINC001516562634 1060145225 /nfs/dbraw/zinc/14/52/25/1060145225.db2.gz GPPBVBAGJXTBKH-DLBZAZTESA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCCO1 ZINC001516562634 1060145236 /nfs/dbraw/zinc/14/52/36/1060145236.db2.gz GPPBVBAGJXTBKH-DLBZAZTESA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@@H+]1CCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCCO1 ZINC001516568123 1060149736 /nfs/dbraw/zinc/14/97/36/1060149736.db2.gz VSKOIVDUIWURFD-MSOLQXFVSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCCO1 ZINC001516568123 1060149741 /nfs/dbraw/zinc/14/97/41/1060149741.db2.gz VSKOIVDUIWURFD-MSOLQXFVSA-N 1 2 372.517 2.744 20 30 FFEDLO C[C@H]1CC(F)(F)CCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001355480814 1060276442 /nfs/dbraw/zinc/27/64/42/1060276442.db2.gz SLQCTVOROOTAJO-ZDUSSCGKSA-N 1 2 352.433 2.532 20 30 FFEDLO C#CCSCC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC001458157853 1060526034 /nfs/dbraw/zinc/52/60/34/1060526034.db2.gz XXVFHVLUSVXVLH-VQIMIIECSA-N 1 2 359.539 2.815 20 30 FFEDLO C#CCSCC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC001458157853 1060526051 /nfs/dbraw/zinc/52/60/51/1060526051.db2.gz XXVFHVLUSVXVLH-VQIMIIECSA-N 1 2 359.539 2.815 20 30 FFEDLO C=C(C)Cn1c(N2CCC3(C2)CCCCC3)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001355947264 1060751800 /nfs/dbraw/zinc/75/18/00/1060751800.db2.gz SOKAGSLQLFPXNN-FXAWDEMLSA-N 1 2 373.545 2.926 20 30 FFEDLO C=C(C)Cn1c(N2CCC3(C2)CCCCC3)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001355947264 1060751810 /nfs/dbraw/zinc/75/18/10/1060751810.db2.gz SOKAGSLQLFPXNN-FXAWDEMLSA-N 1 2 373.545 2.926 20 30 FFEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001459778495 1060816635 /nfs/dbraw/zinc/81/66/35/1060816635.db2.gz RNFONMDMVLBKGF-NWDGAFQWSA-N 1 2 351.385 2.953 20 30 FFEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001459778495 1060816649 /nfs/dbraw/zinc/81/66/49/1060816649.db2.gz RNFONMDMVLBKGF-NWDGAFQWSA-N 1 2 351.385 2.953 20 30 FFEDLO Cn1c[nH+]c(CCNC(=O)c2cccc(COc3ccccc3C#N)c2)c1 ZINC001460735834 1061082336 /nfs/dbraw/zinc/08/23/36/1061082336.db2.gz NEBYZVHZHDBOLH-UHFFFAOYSA-N 1 2 360.417 2.843 20 30 FFEDLO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO ZINC001460765381 1061092564 /nfs/dbraw/zinc/09/25/64/1061092564.db2.gz XRPUKGGYXVQORN-QGZVFWFLSA-N 1 2 359.470 2.589 20 30 FFEDLO Cc1cc(C#N)cc(C)c1C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO ZINC001460765381 1061092577 /nfs/dbraw/zinc/09/25/77/1061092577.db2.gz XRPUKGGYXVQORN-QGZVFWFLSA-N 1 2 359.470 2.589 20 30 FFEDLO Cc1cccn2cc(CC(=O)Nc3ccc(Br)c(C#N)n3)[nH+]c12 ZINC001526374142 1061099773 /nfs/dbraw/zinc/09/97/73/1061099773.db2.gz CBQCTTWIZDIDEH-UHFFFAOYSA-N 1 2 370.210 2.853 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](c2cnccn2)C1 ZINC001460857027 1061130882 /nfs/dbraw/zinc/13/08/82/1061130882.db2.gz KGTWUZXURHSIPV-QWHCGFSZSA-N 1 2 367.478 2.715 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](c2cnccn2)C1 ZINC001460857027 1061130887 /nfs/dbraw/zinc/13/08/87/1061130887.db2.gz KGTWUZXURHSIPV-QWHCGFSZSA-N 1 2 367.478 2.715 20 30 FFEDLO O=C(/C=C\c1ccco1)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001526993656 1061351717 /nfs/dbraw/zinc/35/17/17/1061351717.db2.gz VRQFHEKEWHIBHM-WAYWQWQTSA-N 1 2 357.431 2.781 20 30 FFEDLO N#Cc1ccc(Br)c(C[NH2+]Cc2cc(=O)n3ccccc3n2)c1 ZINC001461601268 1061360486 /nfs/dbraw/zinc/36/04/86/1061360486.db2.gz BAPHKHBJWLCRMM-UHFFFAOYSA-N 1 2 369.222 2.618 20 30 FFEDLO C=CCC(C)(C)C(=O)NCC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001521995375 1061412194 /nfs/dbraw/zinc/41/21/94/1061412194.db2.gz IMNVFDHWNKACBH-HZPDHXFCSA-N 1 2 360.502 2.545 20 30 FFEDLO C=CCC(C)(C)C(=O)NCC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001521995375 1061412201 /nfs/dbraw/zinc/41/22/01/1061412201.db2.gz IMNVFDHWNKACBH-HZPDHXFCSA-N 1 2 360.502 2.545 20 30 FFEDLO COc1ncc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1C#N ZINC001477077979 1061570323 /nfs/dbraw/zinc/57/03/23/1061570323.db2.gz QBZYGJXZWNAHLL-ZDUSSCGKSA-N 1 2 371.466 2.934 20 30 FFEDLO N#Cc1cnc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c(Cl)c1 ZINC001462452351 1061629374 /nfs/dbraw/zinc/62/93/74/1061629374.db2.gz ATFRHSAASYTUDL-MRXNPFEDSA-N 1 2 351.797 2.974 20 30 FFEDLO N#Cc1ccc2c(c1)N(C(=O)c1ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c1)CC2 ZINC001527834463 1061644595 /nfs/dbraw/zinc/64/45/95/1061644595.db2.gz IZFYTNPSNIOFGW-UHFFFAOYSA-N 1 2 359.345 2.855 20 30 FFEDLO C=CCC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C3)CCC1 ZINC001522170770 1061661650 /nfs/dbraw/zinc/66/16/50/1061661650.db2.gz RYYMPGZVJGFVBJ-JLOCXQCDSA-N 1 2 368.481 2.508 20 30 FFEDLO C=CCC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C3)CCC1 ZINC001522170770 1061661658 /nfs/dbraw/zinc/66/16/58/1061661658.db2.gz RYYMPGZVJGFVBJ-JLOCXQCDSA-N 1 2 368.481 2.508 20 30 FFEDLO C=CCC1(C(=O)N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCC1 ZINC001530263883 1062532745 /nfs/dbraw/zinc/53/27/45/1062532745.db2.gz JDPBDGBRWUORPU-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC1(C(=O)N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCC1 ZINC001530263883 1062532767 /nfs/dbraw/zinc/53/27/67/1062532767.db2.gz JDPBDGBRWUORPU-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO CCCc1noc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C#CC(C)(C)C)n1 ZINC001479562054 1062544710 /nfs/dbraw/zinc/54/47/10/1062544710.db2.gz LMNMKVXGEQDOCY-CVEARBPZSA-N 1 2 360.502 2.788 20 30 FFEDLO C=CCOc1cccc(NC(=O)c2cccn2CC[NH+]2CCOCC2)c1 ZINC001464440564 1062614044 /nfs/dbraw/zinc/61/40/44/1062614044.db2.gz KGJLWOHQCVDYDL-UHFFFAOYSA-N 1 2 355.438 2.637 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2ccccc2F)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001523779916 1062619673 /nfs/dbraw/zinc/61/96/73/1062619673.db2.gz XRCIGHUKPAADDW-OXJNMPFZSA-N 1 2 373.476 2.541 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2ccccc2F)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001523779916 1062619679 /nfs/dbraw/zinc/61/96/79/1062619679.db2.gz XRCIGHUKPAADDW-OXJNMPFZSA-N 1 2 373.476 2.541 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001524346148 1062807647 /nfs/dbraw/zinc/80/76/47/1062807647.db2.gz CLVJVYCRJDILTI-CQSZACIVSA-N 1 2 373.423 2.608 20 30 FFEDLO C#CCCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nccs3)[C@@H]2C)cc1 ZINC001479707125 1062854084 /nfs/dbraw/zinc/85/40/84/1062854084.db2.gz UHSBUMHMTKGZES-QAPCUYQASA-N 1 2 369.490 2.938 20 30 FFEDLO C#CCCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nccs3)[C@@H]2C)cc1 ZINC001479707125 1062854112 /nfs/dbraw/zinc/85/41/12/1062854112.db2.gz UHSBUMHMTKGZES-QAPCUYQASA-N 1 2 369.490 2.938 20 30 FFEDLO C#CCN(CC)c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1C[C@H]1CCCO1 ZINC001525148120 1063170073 /nfs/dbraw/zinc/17/00/73/1063170073.db2.gz UWWQAIXZXQOZKL-QZTJIDSGSA-N 1 2 370.501 2.749 20 30 FFEDLO CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001495564143 1063511930 /nfs/dbraw/zinc/51/19/30/1063511930.db2.gz USBSSEIICXIWAQ-QKLQHJQFSA-N 1 2 374.533 2.642 20 30 FFEDLO C#CC[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC001574985860 1078098074 /nfs/dbraw/zinc/09/80/74/1078098074.db2.gz NDYBRLRJJBJJPF-KRWDZBQOSA-N 1 2 371.529 2.837 20 30 FFEDLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001471348738 1064650831 /nfs/dbraw/zinc/65/08/31/1064650831.db2.gz QXFHQYAMFQYRKC-GEALJGNFSA-N 1 2 352.482 2.678 20 30 FFEDLO Cc1cccc(CN(CCC#N)CC[NH+]2CCOCC2)c1Br ZINC001473203796 1065220608 /nfs/dbraw/zinc/22/06/08/1065220608.db2.gz TVJIHZNAPFVTIC-UHFFFAOYSA-N 1 2 366.303 2.805 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2ccc(Cl)cc2O)C1 ZINC001474424758 1065518784 /nfs/dbraw/zinc/51/87/84/1065518784.db2.gz PKQYVLJEKDUPIG-TZMCWYRMSA-N 1 2 351.834 2.894 20 30 FFEDLO C=CC1(CC(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCCC1 ZINC001578379363 1078467326 /nfs/dbraw/zinc/46/73/26/1078467326.db2.gz NSLFWOGNJHJHGA-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CC1(CC(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCCC1 ZINC001578379363 1078467328 /nfs/dbraw/zinc/46/73/28/1078467328.db2.gz NSLFWOGNJHJHGA-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCOC[C@@H]2C)c(Cl)c1 ZINC001557772113 1075887271 /nfs/dbraw/zinc/88/72/71/1075887271.db2.gz BIILGLHUKIEHGW-KSSFIOAISA-N 1 2 361.873 2.601 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCOC[C@@H]2C)c(Cl)c1 ZINC001557772113 1075887274 /nfs/dbraw/zinc/88/72/74/1075887274.db2.gz BIILGLHUKIEHGW-KSSFIOAISA-N 1 2 361.873 2.601 20 30 FFEDLO COc1cccc([C@@H]2CN(C(=O)Cc3c(C)cc(C#N)cc3C)CC[NH2+]2)c1 ZINC001557823275 1075896137 /nfs/dbraw/zinc/89/61/37/1075896137.db2.gz LGVQCVZCJMXOLM-NRFANRHFSA-N 1 2 363.461 2.899 20 30 FFEDLO CCOC(=O)[C@@]1(F)C[N@H+](Cc2cc(C#N)ccc2N(C)C)CC12CCC2 ZINC001560928384 1076311277 /nfs/dbraw/zinc/31/12/77/1076311277.db2.gz SFNZKJOZDMZVSI-FQEVSTJZSA-N 1 2 359.445 2.882 20 30 FFEDLO CCOC(=O)[C@@]1(F)C[N@@H+](Cc2cc(C#N)ccc2N(C)C)CC12CCC2 ZINC001560928384 1076311283 /nfs/dbraw/zinc/31/12/83/1076311283.db2.gz SFNZKJOZDMZVSI-FQEVSTJZSA-N 1 2 359.445 2.882 20 30 FFEDLO COC(=O)c1sccc1C[N@@H+]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC001561016576 1076320195 /nfs/dbraw/zinc/32/01/95/1076320195.db2.gz BXMCNXMBSPUUQW-HNNXBMFYSA-N 1 2 356.451 2.878 20 30 FFEDLO COC(=O)c1sccc1C[N@H+]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC001561016576 1076320197 /nfs/dbraw/zinc/32/01/97/1076320197.db2.gz BXMCNXMBSPUUQW-HNNXBMFYSA-N 1 2 356.451 2.878 20 30 FFEDLO C=CCC[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C(=O)OCC ZINC001569186998 1077133652 /nfs/dbraw/zinc/13/36/52/1077133652.db2.gz NFMYUHWBNFKNEQ-IRXDYDNUSA-N 1 2 355.438 2.946 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001572908335 1077425697 /nfs/dbraw/zinc/42/56/97/1077425697.db2.gz MAGYWOLYYNRVNJ-HUUCEWRRSA-N 1 2 354.454 2.513 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)CCCCC1 ZINC001573054276 1077494830 /nfs/dbraw/zinc/49/48/30/1077494830.db2.gz RTJSMJNVERSBDD-IAGOWNOFSA-N 1 2 370.497 2.538 20 30 FFEDLO C=CCc1cc(C(=O)N2CCc3cc[nH+]c(N)c3C2)cc(OC)c1OC ZINC001586737554 1079677604 /nfs/dbraw/zinc/67/76/04/1079677604.db2.gz ILLGUSHSRKJMIL-UHFFFAOYSA-N 1 2 353.422 2.608 20 30 FFEDLO C=CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588628118 1080127495 /nfs/dbraw/zinc/12/74/95/1080127495.db2.gz RPOHQYIUAYSJLP-CRAIPNDOSA-N 1 2 368.485 2.550 20 30 FFEDLO C=CC[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588628118 1080127497 /nfs/dbraw/zinc/12/74/97/1080127497.db2.gz RPOHQYIUAYSJLP-CRAIPNDOSA-N 1 2 368.485 2.550 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@H](O)C2)c1C#N ZINC000039530018 249375609 /nfs/dbraw/zinc/37/56/09/249375609.db2.gz NRTQNEGVHIGUIT-KRWDZBQOSA-N 1 2 358.486 2.877 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@H](O)C2)c1C#N ZINC000039530018 249375612 /nfs/dbraw/zinc/37/56/12/249375612.db2.gz NRTQNEGVHIGUIT-KRWDZBQOSA-N 1 2 358.486 2.877 20 30 FFEDLO C[C@H]1SCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H]1C ZINC000118419664 250384508 /nfs/dbraw/zinc/38/45/08/250384508.db2.gz KAXZKHDUSLCGQG-UONOGXRCSA-N 1 2 355.467 2.508 20 30 FFEDLO C[C@H]1SCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H]1C ZINC000118419664 250384512 /nfs/dbraw/zinc/38/45/12/250384512.db2.gz KAXZKHDUSLCGQG-UONOGXRCSA-N 1 2 355.467 2.508 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192623466 251295908 /nfs/dbraw/zinc/29/59/08/251295908.db2.gz RKBNOMJOQSYENG-MSOLQXFVSA-N 1 2 369.465 2.860 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192623466 251295914 /nfs/dbraw/zinc/29/59/14/251295914.db2.gz RKBNOMJOQSYENG-MSOLQXFVSA-N 1 2 369.465 2.860 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000267685919 251351819 /nfs/dbraw/zinc/35/18/19/251351819.db2.gz HAZKLFTVWUYTHB-IAGOWNOFSA-N 1 2 350.509 2.692 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000267685919 251351821 /nfs/dbraw/zinc/35/18/21/251351821.db2.gz HAZKLFTVWUYTHB-IAGOWNOFSA-N 1 2 350.509 2.692 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000276580705 256112130 /nfs/dbraw/zinc/11/21/30/256112130.db2.gz JKSZNNJNRGPRDM-SFHVURJKSA-N 1 2 356.426 2.962 20 30 FFEDLO CO[C@H]1CCC[C@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000280362860 256508182 /nfs/dbraw/zinc/50/81/82/256508182.db2.gz UVKUYMJOTLIFDY-PMACEKPBSA-N 1 2 355.482 2.798 20 30 FFEDLO CN(C)c1ccccc1C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000288771851 257225777 /nfs/dbraw/zinc/22/57/77/257225777.db2.gz ILCOARNNLDGNLH-UHFFFAOYSA-N 1 2 357.479 2.530 20 30 FFEDLO CN(C)c1ccccc1C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000288771851 257225778 /nfs/dbraw/zinc/22/57/78/257225778.db2.gz ILCOARNNLDGNLH-UHFFFAOYSA-N 1 2 357.479 2.530 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cnc(C3OCCO3)s2)CC1 ZINC000289180181 257263250 /nfs/dbraw/zinc/26/32/50/257263250.db2.gz SQVLRAYDCANXLF-UHFFFAOYSA-N 1 2 374.441 2.521 20 30 FFEDLO CC(=O)c1ccc(C#N)cc1NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000302047240 258084394 /nfs/dbraw/zinc/08/43/94/258084394.db2.gz LOVMOWLTZAEZKS-AWEZNQCLSA-N 1 2 350.422 2.993 20 30 FFEDLO Cc1nc(N2CCN(c3ccc(Br)cc3C#N)CC2)cc[nH+]1 ZINC000302180076 258093613 /nfs/dbraw/zinc/09/36/13/258093613.db2.gz ZCQYQJVOWXXFMW-UHFFFAOYSA-N 1 2 358.243 2.746 20 30 FFEDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000330742109 258169743 /nfs/dbraw/zinc/16/97/43/258169743.db2.gz QDYOAXNIYZFMET-CQSZACIVSA-N 1 2 350.260 2.811 20 30 FFEDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000330742109 258169744 /nfs/dbraw/zinc/16/97/44/258169744.db2.gz QDYOAXNIYZFMET-CQSZACIVSA-N 1 2 350.260 2.811 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](O)C2)c1C#N ZINC000331538740 258189892 /nfs/dbraw/zinc/18/98/92/258189892.db2.gz GGXDWYQNZAVWFV-KUHUBIRLSA-N 1 2 366.465 2.607 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c1C#N ZINC000331538740 258189893 /nfs/dbraw/zinc/18/98/93/258189893.db2.gz GGXDWYQNZAVWFV-KUHUBIRLSA-N 1 2 366.465 2.607 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1C(F)(F)F ZINC000331792935 258200990 /nfs/dbraw/zinc/20/09/90/258200990.db2.gz HHSJXOONJYARTC-ZDUSSCGKSA-N 1 2 370.356 2.826 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377122773 512132786 /nfs/dbraw/zinc/13/27/86/512132786.db2.gz JWIFILNGNVLUMU-DLBZAZTESA-N 1 2 365.518 2.742 20 30 FFEDLO N#Cc1ccsc1NC(=O)CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096508024 222122732 /nfs/dbraw/zinc/12/27/32/222122732.db2.gz TUMQVOIVRWVOFH-DAXSKMNVSA-N 1 2 366.490 2.889 20 30 FFEDLO N#Cc1ccccc1OCC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000032483788 506258865 /nfs/dbraw/zinc/25/88/65/506258865.db2.gz FZIUDWICLQFUGB-UHFFFAOYSA-N 1 2 369.852 2.935 20 30 FFEDLO C=C(CNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)c1ccccc1 ZINC000377256229 512188395 /nfs/dbraw/zinc/18/83/95/512188395.db2.gz RMFBIHRSHMXHHY-UHFFFAOYSA-N 1 2 360.417 2.855 20 30 FFEDLO C=CCc1ccc(OCC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c(OC)c1 ZINC000371046763 512193981 /nfs/dbraw/zinc/19/39/81/512193981.db2.gz ZOGHOTGEGSXXBU-INIZCTEOSA-N 1 2 355.438 2.552 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccn(-c3cccc(C#N)c3)n1)CCC2 ZINC000369053688 512204474 /nfs/dbraw/zinc/20/44/74/512204474.db2.gz HTTHKZCRBMOXBC-MRXNPFEDSA-N 1 2 360.421 2.556 20 30 FFEDLO CCOc1ccccc1N1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000006319326 506475852 /nfs/dbraw/zinc/47/58/52/506475852.db2.gz YOPDCTIHPCQZFP-UHFFFAOYSA-N 1 2 364.449 2.718 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccco3)CC2)c(C#N)c1C ZINC000042540028 506634382 /nfs/dbraw/zinc/63/43/82/506634382.db2.gz VAYDRNXGZXJAFG-CQSZACIVSA-N 1 2 356.426 2.506 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000066868995 506673328 /nfs/dbraw/zinc/67/33/28/506673328.db2.gz LJTYRUJOMIPHJB-OAHLLOKOSA-N 1 2 350.894 2.670 20 30 FFEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3noc(C4CC4)n3)c2)n1 ZINC000067099211 506757611 /nfs/dbraw/zinc/75/76/11/506757611.db2.gz RNGCBTFSWXMSOG-UHFFFAOYSA-N 1 2 366.425 2.646 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(C#N)(c4ccccn4)CC3)C2=O)cc1 ZINC000367057185 512317117 /nfs/dbraw/zinc/31/71/17/512317117.db2.gz GYQUDYGJEFLAGU-IBGZPJMESA-N 1 2 371.444 2.616 20 30 FFEDLO C[C@H]1C[C@H](c2cccnc2)[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000373411692 512317202 /nfs/dbraw/zinc/31/72/02/512317202.db2.gz GUCRPDNTBKAPEE-HNAYVOBHSA-N 1 2 355.463 2.810 20 30 FFEDLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000373411692 512317204 /nfs/dbraw/zinc/31/72/04/512317204.db2.gz GUCRPDNTBKAPEE-HNAYVOBHSA-N 1 2 355.463 2.810 20 30 FFEDLO C=CCOc1cccc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000056772223 507089521 /nfs/dbraw/zinc/08/95/21/507089521.db2.gz XBBAJURFBDXKIO-UHFFFAOYSA-N 1 2 352.438 2.996 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1C#N ZINC000068116747 507119253 /nfs/dbraw/zinc/11/92/53/507119253.db2.gz OSUQJGAFVCEHKX-KPZWWZAWSA-N 1 2 362.499 2.621 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(Cl)c4c(c3)OCCO4)CC2)c1 ZINC000046511008 507146054 /nfs/dbraw/zinc/14/60/54/507146054.db2.gz AZUWYGJGXNLUFD-UHFFFAOYSA-N 1 2 370.840 2.700 20 30 FFEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000068429042 507229022 /nfs/dbraw/zinc/22/90/22/507229022.db2.gz WZIDCANLJBWOOV-OAHLLOKOSA-N 1 2 360.889 2.735 20 30 FFEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000068429047 507229354 /nfs/dbraw/zinc/22/93/54/507229354.db2.gz WZIDCANLJBWOOV-HNNXBMFYSA-N 1 2 360.889 2.735 20 30 FFEDLO Cc1cccc([C@@H](CNC(=O)C2(C#N)CCCCC2)[NH+]2CCOCC2)c1 ZINC000057387999 507253827 /nfs/dbraw/zinc/25/38/27/507253827.db2.gz BTVZQECLJYCSEG-LJQANCHMSA-N 1 2 355.482 2.959 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057406199 507257257 /nfs/dbraw/zinc/25/72/57/507257257.db2.gz HVQRAIQZHOMHIL-OAHLLOKOSA-N 1 2 352.413 2.847 20 30 FFEDLO C=CCc1cc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc(OC)c1OC ZINC000367087693 512332462 /nfs/dbraw/zinc/33/24/62/512332462.db2.gz YWYSGAHDWQJLRQ-GOSISDBHSA-N 1 2 367.449 2.614 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375440311 512329523 /nfs/dbraw/zinc/32/95/23/512329523.db2.gz WALDSMSOZLDKEY-JKSUJKDBSA-N 1 2 352.394 2.522 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375440311 512329526 /nfs/dbraw/zinc/32/95/26/512329526.db2.gz WALDSMSOZLDKEY-JKSUJKDBSA-N 1 2 352.394 2.522 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)CSc2nc(N)cc(C)[nH+]2)cc1 ZINC000022089683 507278853 /nfs/dbraw/zinc/27/88/53/507278853.db2.gz OFFZQWXMNRQSNZ-UHFFFAOYSA-N 1 2 371.466 2.805 20 30 FFEDLO COc1ccc(OCCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000022781309 507308473 /nfs/dbraw/zinc/30/84/73/507308473.db2.gz BSLNKQFPRRLRJY-UHFFFAOYSA-N 1 2 351.450 2.763 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000022820314 507314092 /nfs/dbraw/zinc/31/40/92/507314092.db2.gz KKRRCBZXAIWRIY-IBGZPJMESA-N 1 2 362.905 2.512 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000057754834 507322992 /nfs/dbraw/zinc/32/29/92/507322992.db2.gz ZKZSSIMXVYIUKM-LBPRGKRZSA-N 1 2 366.343 2.743 20 30 FFEDLO C[C@H](C(=O)NC1CCCCC1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023257536 507343248 /nfs/dbraw/zinc/34/32/48/507343248.db2.gz RVBWIMGORNKRCD-QGZVFWFLSA-N 1 2 354.498 2.513 20 30 FFEDLO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023257536 507343253 /nfs/dbraw/zinc/34/32/53/507343253.db2.gz RVBWIMGORNKRCD-QGZVFWFLSA-N 1 2 354.498 2.513 20 30 FFEDLO C[C@@H](NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000057883336 507347894 /nfs/dbraw/zinc/34/78/94/507347894.db2.gz QOKGLCUMCVKKRC-GOSISDBHSA-N 1 2 362.477 2.553 20 30 FFEDLO COC(=O)C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000047628271 507367874 /nfs/dbraw/zinc/36/78/74/507367874.db2.gz QILDDHCBGIQPSW-UHFFFAOYSA-N 1 2 357.435 2.624 20 30 FFEDLO COC(=O)C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000047628271 507367882 /nfs/dbraw/zinc/36/78/82/507367882.db2.gz QILDDHCBGIQPSW-UHFFFAOYSA-N 1 2 357.435 2.624 20 30 FFEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cc(Br)cs1 ZINC000047751583 507388725 /nfs/dbraw/zinc/38/87/25/507388725.db2.gz CAPWNYJTKQNMPD-AWEZNQCLSA-N 1 2 356.289 2.751 20 30 FFEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cc(Br)cs1 ZINC000047751583 507388733 /nfs/dbraw/zinc/38/87/33/507388733.db2.gz CAPWNYJTKQNMPD-AWEZNQCLSA-N 1 2 356.289 2.751 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c(C#N)c1C ZINC000375464076 512342881 /nfs/dbraw/zinc/34/28/81/512342881.db2.gz HMVOZUGGCKAHMA-ZDUSSCGKSA-N 1 2 371.466 2.925 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c(C#N)c1C ZINC000375464076 512342884 /nfs/dbraw/zinc/34/28/84/512342884.db2.gz HMVOZUGGCKAHMA-ZDUSSCGKSA-N 1 2 371.466 2.925 20 30 FFEDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c([N+](=O)[O-])c1 ZINC000026323643 507577469 /nfs/dbraw/zinc/57/74/69/507577469.db2.gz NQKQMHAYCSBEQG-UHFFFAOYSA-N 1 2 368.393 2.936 20 30 FFEDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c([N+](=O)[O-])c1 ZINC000026323643 507577473 /nfs/dbraw/zinc/57/74/73/507577473.db2.gz NQKQMHAYCSBEQG-UHFFFAOYSA-N 1 2 368.393 2.936 20 30 FFEDLO C=CC[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000063381247 507725722 /nfs/dbraw/zinc/72/57/22/507725722.db2.gz CQKMSSKCCZVMSE-UHFFFAOYSA-N 1 2 356.426 2.925 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000063381247 507725725 /nfs/dbraw/zinc/72/57/25/507725725.db2.gz CQKMSSKCCZVMSE-UHFFFAOYSA-N 1 2 356.426 2.925 20 30 FFEDLO CSc1cccc(NC(=O)CO[NH+]=C(N)Cc2csc(C)n2)c1 ZINC000063456900 507732199 /nfs/dbraw/zinc/73/21/99/507732199.db2.gz XXLUDPZCQXYYOX-UHFFFAOYSA-N 1 2 350.469 2.643 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000063754587 507768293 /nfs/dbraw/zinc/76/82/93/507768293.db2.gz CDKWXKWNCJOUEK-UHFFFAOYSA-N 1 2 368.393 2.554 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000063754587 507768295 /nfs/dbraw/zinc/76/82/95/507768295.db2.gz CDKWXKWNCJOUEK-UHFFFAOYSA-N 1 2 368.393 2.554 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1C#N ZINC000063758358 507768413 /nfs/dbraw/zinc/76/84/13/507768413.db2.gz WBTCKPZPLGWNRX-CYBMUJFWSA-N 1 2 362.499 2.623 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1C#N ZINC000063758358 507768416 /nfs/dbraw/zinc/76/84/16/507768416.db2.gz WBTCKPZPLGWNRX-CYBMUJFWSA-N 1 2 362.499 2.623 20 30 FFEDLO Cc1ccccc1CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000029656114 507785952 /nfs/dbraw/zinc/78/59/52/507785952.db2.gz UWIFEYREFODKDZ-UHFFFAOYSA-N 1 2 362.477 2.937 20 30 FFEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000072515245 507801681 /nfs/dbraw/zinc/80/16/81/507801681.db2.gz KZQOMSYAHTWKEN-GOSISDBHSA-N 1 2 367.497 2.990 20 30 FFEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000072515245 507801683 /nfs/dbraw/zinc/80/16/83/507801683.db2.gz KZQOMSYAHTWKEN-GOSISDBHSA-N 1 2 367.497 2.990 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1C#N ZINC000064738871 507807535 /nfs/dbraw/zinc/80/75/35/507807535.db2.gz ZHZYERHSBUXDGN-UHFFFAOYSA-N 1 2 362.499 2.573 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1C#N ZINC000064738871 507807538 /nfs/dbraw/zinc/80/75/38/507807538.db2.gz ZHZYERHSBUXDGN-UHFFFAOYSA-N 1 2 362.499 2.573 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000031173333 507817876 /nfs/dbraw/zinc/81/78/76/507817876.db2.gz ZSLGWIQXZSWURQ-KRWDZBQOSA-N 1 2 351.406 2.659 20 30 FFEDLO CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000031173333 507817877 /nfs/dbraw/zinc/81/78/77/507817877.db2.gz ZSLGWIQXZSWURQ-KRWDZBQOSA-N 1 2 351.406 2.659 20 30 FFEDLO Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1C ZINC000031300111 507818848 /nfs/dbraw/zinc/81/88/48/507818848.db2.gz VOZIKEWWIYESIR-JXFKEZNVSA-N 1 2 358.486 2.617 20 30 FFEDLO Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1C ZINC000031300111 507818849 /nfs/dbraw/zinc/81/88/49/507818849.db2.gz VOZIKEWWIYESIR-JXFKEZNVSA-N 1 2 358.486 2.617 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000369350845 512364469 /nfs/dbraw/zinc/36/44/69/512364469.db2.gz XHNHCEFGSWVGLB-GFCCVEGCSA-N 1 2 364.858 2.513 20 30 FFEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(C#N)cn2)C[C@@H](C)O1 ZINC000107454440 507852986 /nfs/dbraw/zinc/85/29/86/507852986.db2.gz QUARFKLQJHIXJC-HUUCEWRRSA-N 1 2 350.422 2.815 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000078657581 507893939 /nfs/dbraw/zinc/89/39/39/507893939.db2.gz SLODNHRXZRVVFM-YCRPNKLZSA-N 1 2 371.481 2.730 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000109028965 507932942 /nfs/dbraw/zinc/93/29/42/507932942.db2.gz NGTFYKWQPDKQNK-CABCVRRESA-N 1 2 362.499 2.923 20 30 FFEDLO COCCOC1CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000091069885 507949366 /nfs/dbraw/zinc/94/93/66/507949366.db2.gz XOVFHDXJSZWLLW-UHFFFAOYSA-N 1 2 354.454 2.680 20 30 FFEDLO N#Cc1ccc(N2CCC(Nc3cc(N4CCCCC4)nc[nH+]3)CC2)nc1 ZINC000110512417 508031569 /nfs/dbraw/zinc/03/15/69/508031569.db2.gz ZLWFJYDOZYMEAT-UHFFFAOYSA-N 1 2 363.469 2.814 20 30 FFEDLO N#Cc1ccc(N2CCC(Nc3cc(N4CCCCC4)[nH+]cn3)CC2)nc1 ZINC000110512417 508031572 /nfs/dbraw/zinc/03/15/72/508031572.db2.gz ZLWFJYDOZYMEAT-UHFFFAOYSA-N 1 2 363.469 2.814 20 30 FFEDLO CC(C)OCC[NH+]1CCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000080482614 508077219 /nfs/dbraw/zinc/07/72/19/508077219.db2.gz YMPDDQQSHPJWCC-FQEVSTJZSA-N 1 2 373.497 2.531 20 30 FFEDLO COc1ccc(C[NH+]2CCN(CC(F)F)CC2)cc1OCCCC#N ZINC000092586751 508084132 /nfs/dbraw/zinc/08/41/32/508084132.db2.gz GVZKPTBNOADDMA-UHFFFAOYSA-N 1 2 353.413 2.760 20 30 FFEDLO CC[C@H]1CCCCN1C(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000080904422 508110161 /nfs/dbraw/zinc/11/01/61/508110161.db2.gz CEKQQMANXBOEFF-VQTJNVASSA-N 1 2 354.498 2.660 20 30 FFEDLO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000080904412 508110322 /nfs/dbraw/zinc/11/03/22/508110322.db2.gz CEKQQMANXBOEFF-WOJBJXKFSA-N 1 2 354.498 2.660 20 30 FFEDLO N#Cc1ccc(Cl)cc1NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000080971258 508120679 /nfs/dbraw/zinc/12/06/79/508120679.db2.gz ONWQVXOUZHLCOF-UHFFFAOYSA-N 1 2 369.856 2.757 20 30 FFEDLO CC[N@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1CCN(c2ccccc2)C1=O ZINC000093362417 508142154 /nfs/dbraw/zinc/14/21/54/508142154.db2.gz AUTYEJNUHKYILS-LJQANCHMSA-N 1 2 359.433 2.833 20 30 FFEDLO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1CCN(c2ccccc2)C1=O ZINC000093362417 508142157 /nfs/dbraw/zinc/14/21/57/508142157.db2.gz AUTYEJNUHKYILS-LJQANCHMSA-N 1 2 359.433 2.833 20 30 FFEDLO COc1ccc(C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1OCCCC#N ZINC000093421829 508145255 /nfs/dbraw/zinc/14/52/55/508145255.db2.gz IOTYOGFAIYLLFE-LSDHHAIUSA-N 1 2 368.499 2.631 20 30 FFEDLO COc1ccc(C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1OCCCC#N ZINC000093421829 508145256 /nfs/dbraw/zinc/14/52/56/508145256.db2.gz IOTYOGFAIYLLFE-LSDHHAIUSA-N 1 2 368.499 2.631 20 30 FFEDLO C=C(C)COc1cc(C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)ccc1OC ZINC000093422259 508145276 /nfs/dbraw/zinc/14/52/76/508145276.db2.gz LNIVHDNAUMMYIX-LSDHHAIUSA-N 1 2 355.500 2.904 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)ccc1OC ZINC000093422259 508145277 /nfs/dbraw/zinc/14/52/77/508145277.db2.gz LNIVHDNAUMMYIX-LSDHHAIUSA-N 1 2 355.500 2.904 20 30 FFEDLO C[N@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000093512485 508146708 /nfs/dbraw/zinc/14/67/08/508146708.db2.gz SULZKJUJUAZOSC-LJQANCHMSA-N 1 2 359.433 2.833 20 30 FFEDLO C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000093512485 508146711 /nfs/dbraw/zinc/14/67/11/508146711.db2.gz SULZKJUJUAZOSC-LJQANCHMSA-N 1 2 359.433 2.833 20 30 FFEDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093771377 508154189 /nfs/dbraw/zinc/15/41/89/508154189.db2.gz GLXCVZGQFPHZIY-GOSISDBHSA-N 1 2 351.454 2.564 20 30 FFEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093771377 508154191 /nfs/dbraw/zinc/15/41/91/508154191.db2.gz GLXCVZGQFPHZIY-GOSISDBHSA-N 1 2 351.454 2.564 20 30 FFEDLO C[C@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)c1ccc(C#N)cc1 ZINC000076077411 508156546 /nfs/dbraw/zinc/15/65/46/508156546.db2.gz KFNNHSSLYVMOBU-NSHDSACASA-N 1 2 351.332 2.877 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ncc(-c2cccc(F)c2)o1 ZINC000081515415 508184952 /nfs/dbraw/zinc/18/49/52/508184952.db2.gz COZPAUKDTOZAEB-UHFFFAOYSA-N 1 2 358.417 2.529 20 30 FFEDLO C=CCNC(=O)c1ccc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)nc1 ZINC000112513086 508192555 /nfs/dbraw/zinc/19/25/55/508192555.db2.gz ZWNFRYWCMKGQFF-INIZCTEOSA-N 1 2 372.494 2.544 20 30 FFEDLO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000112996457 508238778 /nfs/dbraw/zinc/23/87/78/508238778.db2.gz JULDSHLDMWMAMI-GOSISDBHSA-N 1 2 373.840 2.824 20 30 FFEDLO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000112996457 508238780 /nfs/dbraw/zinc/23/87/80/508238780.db2.gz JULDSHLDMWMAMI-GOSISDBHSA-N 1 2 373.840 2.824 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554671 508245456 /nfs/dbraw/zinc/24/54/56/508245456.db2.gz WDEFFOYRNUVLBZ-CQSZACIVSA-N 1 2 370.403 2.986 20 30 FFEDLO CC1CCC(NC(=O)C[NH+]2CCN(Cc3ccc(F)cc3C#N)CC2)CC1 ZINC000103143425 508298710 /nfs/dbraw/zinc/29/87/10/508298710.db2.gz GMCHGXOHVMLKTF-UHFFFAOYSA-N 1 2 372.488 2.510 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH+]2CCSCC2)c1C#N ZINC000103467879 508313057 /nfs/dbraw/zinc/31/30/57/508313057.db2.gz XOXYANZHTYAXJG-UHFFFAOYSA-N 1 2 354.479 2.953 20 30 FFEDLO CCOc1ccc([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115596747 508415815 /nfs/dbraw/zinc/41/58/15/508415815.db2.gz CJBPRHCRYDYTKY-BFUOFWGJSA-N 1 2 353.422 2.843 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(-c2ccncc2)cc1F ZINC000156418169 508418285 /nfs/dbraw/zinc/41/82/85/508418285.db2.gz STOKDDXXXVRZPM-UHFFFAOYSA-N 1 2 368.456 2.936 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)COc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127249483 508420821 /nfs/dbraw/zinc/42/08/21/508420821.db2.gz LXUOSWYYOXHVCJ-QUCCMNQESA-N 1 2 371.387 2.777 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)COc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127249483 508420826 /nfs/dbraw/zinc/42/08/26/508420826.db2.gz LXUOSWYYOXHVCJ-QUCCMNQESA-N 1 2 371.387 2.777 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)CCC(F)(F)F ZINC000115891772 508454255 /nfs/dbraw/zinc/45/42/55/508454255.db2.gz FPAQPPXCOPDKTA-UHFFFAOYSA-N 1 2 374.407 2.836 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)CCC(F)(F)F ZINC000115891772 508454258 /nfs/dbraw/zinc/45/42/58/508454258.db2.gz FPAQPPXCOPDKTA-UHFFFAOYSA-N 1 2 374.407 2.836 20 30 FFEDLO Cn1cccc1[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156814532 508480909 /nfs/dbraw/zinc/48/09/09/508480909.db2.gz VUQHICHPQVRCLZ-LJQANCHMSA-N 1 2 357.479 2.898 20 30 FFEDLO Cn1cccc1[C@H]1CCCC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156814532 508480915 /nfs/dbraw/zinc/48/09/15/508480915.db2.gz VUQHICHPQVRCLZ-LJQANCHMSA-N 1 2 357.479 2.898 20 30 FFEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000127691307 508486857 /nfs/dbraw/zinc/48/68/57/508486857.db2.gz KVYHKCXHSAJZHO-ZDUSSCGKSA-N 1 2 368.403 2.614 20 30 FFEDLO CC(C)Oc1cc(C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2CC2)ccn1 ZINC000122404731 508529661 /nfs/dbraw/zinc/52/96/61/508529661.db2.gz MMBDULALUIQNSI-FQEVSTJZSA-N 1 2 358.486 2.888 20 30 FFEDLO CC(C)Oc1cc(C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2CC2)ccn1 ZINC000122404731 508529664 /nfs/dbraw/zinc/52/96/64/508529664.db2.gz MMBDULALUIQNSI-FQEVSTJZSA-N 1 2 358.486 2.888 20 30 FFEDLO N#CCOc1ccccc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000116643797 508541634 /nfs/dbraw/zinc/54/16/34/508541634.db2.gz RWSGEVFAHSRFND-UHFFFAOYSA-N 1 2 351.406 2.673 20 30 FFEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CNc1ccc(C#N)cc1 ZINC000129254917 508704460 /nfs/dbraw/zinc/70/44/60/508704460.db2.gz DISUYPQJWQFSOM-UHFFFAOYSA-N 1 2 364.449 2.750 20 30 FFEDLO COc1cc(-c2noc(CO[NH+]=C(N)Cc3csc(C)n3)n2)ccc1C ZINC000138643118 508777075 /nfs/dbraw/zinc/77/70/75/508777075.db2.gz MKFNNRZDEPKURP-UHFFFAOYSA-N 1 2 373.438 2.850 20 30 FFEDLO N#Cc1ccc2[nH+]cc(CN3CCN(C(=O)CCC4CCCC4)CC3)n2c1 ZINC000130318123 508811749 /nfs/dbraw/zinc/81/17/49/508811749.db2.gz POJAASDJDXISIK-UHFFFAOYSA-N 1 2 365.481 2.821 20 30 FFEDLO CC(C)[C@H](NC(=O)C[NH+]1CCC(C#N)CC1)c1ccc2c(c1)OCCO2 ZINC000142057089 508820958 /nfs/dbraw/zinc/82/09/58/508820958.db2.gz XSMOEHICKWAPDE-FQEVSTJZSA-N 1 2 357.454 2.507 20 30 FFEDLO N#Cc1cccc(OCCC[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000159516727 508852225 /nfs/dbraw/zinc/85/22/25/508852225.db2.gz RCFOXGLASPARIX-HKUYNNGSSA-N 1 2 356.422 2.745 20 30 FFEDLO N#Cc1cccc(OCCC[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000159516727 508852229 /nfs/dbraw/zinc/85/22/29/508852229.db2.gz RCFOXGLASPARIX-HKUYNNGSSA-N 1 2 356.422 2.745 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(N)=O)cc1OC ZINC000119811484 508867080 /nfs/dbraw/zinc/86/70/80/508867080.db2.gz JAFBZZNEKGBXLN-GOSISDBHSA-N 1 2 352.434 2.672 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(N)=O)cc1OC ZINC000119811484 508867084 /nfs/dbraw/zinc/86/70/84/508867084.db2.gz JAFBZZNEKGBXLN-GOSISDBHSA-N 1 2 352.434 2.672 20 30 FFEDLO CC(C)S(=O)(=O)CCC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000119963084 508898840 /nfs/dbraw/zinc/89/88/40/508898840.db2.gz YMJWIAKWIMQTPS-UHFFFAOYSA-N 1 2 350.484 2.615 20 30 FFEDLO C[C@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)C(=O)Nc1ccccc1C#N ZINC000151221343 508981287 /nfs/dbraw/zinc/98/12/87/508981287.db2.gz JYNIRQJODPHIIJ-GJZGRUSLSA-N 1 2 360.421 2.817 20 30 FFEDLO C[N@@H+]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)[C@H](c2ccccc2)C1 ZINC000120495789 509008646 /nfs/dbraw/zinc/00/86/46/509008646.db2.gz NXEUAHHMETUQCR-IBGZPJMESA-N 1 2 373.453 2.516 20 30 FFEDLO C[N@H+]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)[C@H](c2ccccc2)C1 ZINC000120495789 509008649 /nfs/dbraw/zinc/00/86/49/509008649.db2.gz NXEUAHHMETUQCR-IBGZPJMESA-N 1 2 373.453 2.516 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2noc(C3CCCCC3)n2)cc1OC ZINC000160703504 509022827 /nfs/dbraw/zinc/02/28/27/509022827.db2.gz OADPGOSVPKYZMY-UHFFFAOYSA-N 1 2 360.414 2.972 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000126815518 509132646 /nfs/dbraw/zinc/13/26/46/509132646.db2.gz JVHLOPVVVJXREK-MFMILTCTSA-N 1 2 370.424 2.899 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000126815518 509132647 /nfs/dbraw/zinc/13/26/47/509132647.db2.gz JVHLOPVVVJXREK-MFMILTCTSA-N 1 2 370.424 2.899 20 30 FFEDLO CC(C)n1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000161859938 509158945 /nfs/dbraw/zinc/15/89/45/509158945.db2.gz PVCIZYZTCLWJGE-AWEZNQCLSA-N 1 2 358.471 2.610 20 30 FFEDLO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000161859938 509158948 /nfs/dbraw/zinc/15/89/48/509158948.db2.gz PVCIZYZTCLWJGE-AWEZNQCLSA-N 1 2 358.471 2.610 20 30 FFEDLO CC(C)(C)OC(=O)C1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000263869548 509197017 /nfs/dbraw/zinc/19/70/17/509197017.db2.gz DXVYTMMCNPOAEG-SFHVURJKSA-N 1 2 369.465 2.717 20 30 FFEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000185619542 509269982 /nfs/dbraw/zinc/26/99/82/509269982.db2.gz GUBVKYDULRZIHF-UHFFFAOYSA-N 1 2 354.391 2.553 20 30 FFEDLO N#Cc1cccc(OC2CC[NH+](Cc3nnc4n3CCCCC4)CC2)c1 ZINC000264235341 509401480 /nfs/dbraw/zinc/40/14/80/509401480.db2.gz ZIMNTCNUHXJLDM-UHFFFAOYSA-N 1 2 351.454 2.920 20 30 FFEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000186159864 509552373 /nfs/dbraw/zinc/55/23/73/509552373.db2.gz DCKFOMCGUBOVTO-UHFFFAOYSA-N 1 2 363.417 2.553 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[S@](=O)Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000176527095 509563731 /nfs/dbraw/zinc/56/37/31/509563731.db2.gz PAHBSZUFXBWKOE-HSZRJFAPSA-N 1 2 353.875 2.661 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000186283076 509621310 /nfs/dbraw/zinc/62/13/10/509621310.db2.gz VYPSWLOSDWPEIC-NQIIRXRSSA-N 1 2 365.477 2.677 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000192826668 509660386 /nfs/dbraw/zinc/66/03/86/509660386.db2.gz NUUHLVAPUAIXGZ-NRFANRHFSA-N 1 2 373.460 2.754 20 30 FFEDLO COc1cccc(F)c1[C@@H](C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000179901166 509666060 /nfs/dbraw/zinc/66/60/60/509666060.db2.gz PRVHNSXWQWGPCT-CYBMUJFWSA-N 1 2 362.426 2.830 20 30 FFEDLO COc1cccc(F)c1[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000179898492 509666603 /nfs/dbraw/zinc/66/66/03/509666603.db2.gz WBIFPRRPNVACJO-CYBMUJFWSA-N 1 2 362.426 2.830 20 30 FFEDLO C[C@@H](Sc1ccccn1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000267970232 509693809 /nfs/dbraw/zinc/69/38/09/509693809.db2.gz ZOTSRRSQRBWXPU-MRXNPFEDSA-N 1 2 366.490 2.778 20 30 FFEDLO COc1ccc(F)cc1C[NH+]1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000186561594 509772262 /nfs/dbraw/zinc/77/22/62/509772262.db2.gz JELLHPZZDMVMRQ-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)c(O)c(F)c1 ZINC000183424825 509780608 /nfs/dbraw/zinc/78/06/08/509780608.db2.gz QLFAXZUTNRIPHE-UHFFFAOYSA-N 1 2 359.376 2.746 20 30 FFEDLO C[C@H](O[NH+]=C(N)c1ccc(N2CCCCC2)nc1)C(=O)Nc1ccccc1 ZINC000264975181 509806448 /nfs/dbraw/zinc/80/64/48/509806448.db2.gz QADXLFFBJATNJL-HNNXBMFYSA-N 1 2 367.453 2.736 20 30 FFEDLO CC(C)CCN(CCC#N)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000177031294 509828126 /nfs/dbraw/zinc/82/81/26/509828126.db2.gz AGDNSQPFLRBILG-UHFFFAOYSA-N 1 2 362.543 2.654 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173902294 509843425 /nfs/dbraw/zinc/84/34/25/509843425.db2.gz GYDOEMSQPPUSIA-HZPDHXFCSA-N 1 2 374.510 2.877 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)nc1 ZINC000170985091 509876770 /nfs/dbraw/zinc/87/67/70/509876770.db2.gz HUZZQPWNTXKATQ-UHFFFAOYSA-N 1 2 351.435 2.992 20 30 FFEDLO COc1ccccc1C[N@H+](CCO)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000177116182 509881846 /nfs/dbraw/zinc/88/18/46/509881846.db2.gz FJYFCHPJHXSELG-UHFFFAOYSA-N 1 2 373.478 2.678 20 30 FFEDLO COc1ccccc1C[N@@H+](CCO)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000177116182 509881855 /nfs/dbraw/zinc/88/18/55/509881855.db2.gz FJYFCHPJHXSELG-UHFFFAOYSA-N 1 2 373.478 2.678 20 30 FFEDLO COC(=O)c1coc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000171030552 509899640 /nfs/dbraw/zinc/89/96/40/509899640.db2.gz DHDKYPRDUQWRFF-UHFFFAOYSA-N 1 2 353.422 2.646 20 30 FFEDLO COC(=O)c1coc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000171030552 509899643 /nfs/dbraw/zinc/89/96/43/509899643.db2.gz DHDKYPRDUQWRFF-UHFFFAOYSA-N 1 2 353.422 2.646 20 30 FFEDLO N#Cc1ccc(C(F)(F)F)nc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000265285291 509966762 /nfs/dbraw/zinc/96/67/62/509966762.db2.gz WYGYRKIGZSITFY-UHFFFAOYSA-N 1 2 362.355 3.000 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245606171 510035111 /nfs/dbraw/zinc/03/51/11/510035111.db2.gz RCMMKRYOAROIRH-HZPDHXFCSA-N 1 2 373.881 2.838 20 30 FFEDLO CC[N@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245606171 510035119 /nfs/dbraw/zinc/03/51/19/510035119.db2.gz RCMMKRYOAROIRH-HZPDHXFCSA-N 1 2 373.881 2.838 20 30 FFEDLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1snc(Cl)c1C#N ZINC000265499361 510087052 /nfs/dbraw/zinc/08/70/52/510087052.db2.gz XGRVVKGCXGZRNV-LBPRGKRZSA-N 1 2 362.890 2.686 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCCCCC#N ZINC000171448439 510164552 /nfs/dbraw/zinc/16/45/52/510164552.db2.gz GXDMLEQLNFGUCG-SFHVURJKSA-N 1 2 358.486 2.613 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)NCc1ccc(C#N)cc1F ZINC000171482381 510187184 /nfs/dbraw/zinc/18/71/84/510187184.db2.gz GEGGWZRDZGVCJW-UHFFFAOYSA-N 1 2 351.385 2.855 20 30 FFEDLO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000245926898 510211997 /nfs/dbraw/zinc/21/19/97/510211997.db2.gz OTLCAAYAWPPODU-HUUCEWRRSA-N 1 2 356.260 2.922 20 30 FFEDLO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000245926898 510212003 /nfs/dbraw/zinc/21/20/03/510212003.db2.gz OTLCAAYAWPPODU-HUUCEWRRSA-N 1 2 356.260 2.922 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177716429 510214050 /nfs/dbraw/zinc/21/40/50/510214050.db2.gz CNTPZTYCTQJUAC-UHFFFAOYSA-N 1 2 362.433 2.961 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177716429 510214057 /nfs/dbraw/zinc/21/40/57/510214057.db2.gz CNTPZTYCTQJUAC-UHFFFAOYSA-N 1 2 362.433 2.961 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)c1 ZINC000171625154 510259722 /nfs/dbraw/zinc/25/97/22/510259722.db2.gz BFGINQQSQQLDIM-GOSISDBHSA-N 1 2 373.453 2.640 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)c1 ZINC000171625154 510259723 /nfs/dbraw/zinc/25/97/23/510259723.db2.gz BFGINQQSQQLDIM-GOSISDBHSA-N 1 2 373.453 2.640 20 30 FFEDLO CCc1nnc(C2CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)[nH]1 ZINC000190720260 510305309 /nfs/dbraw/zinc/30/53/09/510305309.db2.gz KBOVWVWWRBNNML-UHFFFAOYSA-N 1 2 363.425 2.668 20 30 FFEDLO CCc1n[nH]c(C2CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)n1 ZINC000190720260 510305320 /nfs/dbraw/zinc/30/53/20/510305320.db2.gz KBOVWVWWRBNNML-UHFFFAOYSA-N 1 2 363.425 2.668 20 30 FFEDLO CCc1nc(C2CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)n[nH]1 ZINC000190720260 510305330 /nfs/dbraw/zinc/30/53/30/510305330.db2.gz KBOVWVWWRBNNML-UHFFFAOYSA-N 1 2 363.425 2.668 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCO[C@H](Cc4ccccc4)C3)C2=O)cc1 ZINC000181533844 510459345 /nfs/dbraw/zinc/45/93/45/510459345.db2.gz ZJSZOUVLGLSXSL-NHCUHLMSSA-N 1 2 361.445 2.607 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCO[C@H](Cc4ccccc4)C3)C2=O)cc1 ZINC000181533844 510459353 /nfs/dbraw/zinc/45/93/53/510459353.db2.gz ZJSZOUVLGLSXSL-NHCUHLMSSA-N 1 2 361.445 2.607 20 30 FFEDLO CC[C@@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000178154847 510461089 /nfs/dbraw/zinc/46/10/89/510461089.db2.gz UUPWQKZIPZPTGQ-HUUCEWRRSA-N 1 2 370.453 2.601 20 30 FFEDLO Cc1coc2ccc(NC(=O)N(CCC#N)CC[NH+]3CCOCC3)cc12 ZINC000187999230 510541372 /nfs/dbraw/zinc/54/13/72/510541372.db2.gz KNNKWBLDYXLXCF-UHFFFAOYSA-N 1 2 356.426 2.821 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246608877 510582040 /nfs/dbraw/zinc/58/20/40/510582040.db2.gz XZXCBXXKDRHGOB-ZYSHUDEJSA-N 1 2 371.481 2.789 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246608877 510582045 /nfs/dbraw/zinc/58/20/45/510582045.db2.gz XZXCBXXKDRHGOB-ZYSHUDEJSA-N 1 2 371.481 2.789 20 30 FFEDLO COC(=O)[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000191478788 510680666 /nfs/dbraw/zinc/68/06/66/510680666.db2.gz XDEQGCIYTNNHMD-FQEVSTJZSA-N 1 2 364.445 2.760 20 30 FFEDLO COC(=O)[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000191478788 510680672 /nfs/dbraw/zinc/68/06/72/510680672.db2.gz XDEQGCIYTNNHMD-FQEVSTJZSA-N 1 2 364.445 2.760 20 30 FFEDLO C[C@@H]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000185171493 510726963 /nfs/dbraw/zinc/72/69/63/510726963.db2.gz XUVRRYHWSXIACC-DOMZBBRYSA-N 1 2 364.858 2.680 20 30 FFEDLO CCC1(CC)C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[S@@]1=O ZINC000185232849 510762961 /nfs/dbraw/zinc/76/29/61/510762961.db2.gz IRSSFEPBRLMWEW-DWXRJYCRSA-N 1 2 373.522 2.677 20 30 FFEDLO CCC1(CC)C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[S@@]1=O ZINC000185232849 510762968 /nfs/dbraw/zinc/76/29/68/510762968.db2.gz IRSSFEPBRLMWEW-DWXRJYCRSA-N 1 2 373.522 2.677 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc([S@](C)=O)cc2)c(C#N)c1C ZINC000178796768 510778034 /nfs/dbraw/zinc/77/80/34/510778034.db2.gz MEBGCVBYTZCULR-NRRJATNASA-N 1 2 373.478 2.965 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c(C#N)c1C ZINC000178796768 510778039 /nfs/dbraw/zinc/77/80/39/510778039.db2.gz MEBGCVBYTZCULR-NRRJATNASA-N 1 2 373.478 2.965 20 30 FFEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H]2CC=CCC2)on1 ZINC000329910198 510875218 /nfs/dbraw/zinc/87/52/18/510875218.db2.gz NAQFVSOQTGBXSW-JYJNAYRXSA-N 1 2 350.438 2.850 20 30 FFEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H]2CC=CCC2)on1 ZINC000329910198 510875222 /nfs/dbraw/zinc/87/52/22/510875222.db2.gz NAQFVSOQTGBXSW-JYJNAYRXSA-N 1 2 350.438 2.850 20 30 FFEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NCC2(C)CCC2)on1 ZINC000329932226 510879755 /nfs/dbraw/zinc/87/97/55/510879755.db2.gz IPYXRNHEEWFGRZ-GJZGRUSLSA-N 1 2 352.454 2.931 20 30 FFEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NCC2(C)CCC2)on1 ZINC000329932226 510879760 /nfs/dbraw/zinc/87/97/60/510879760.db2.gz IPYXRNHEEWFGRZ-GJZGRUSLSA-N 1 2 352.454 2.931 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)CC1 ZINC000329957203 510886926 /nfs/dbraw/zinc/88/69/26/510886926.db2.gz QARUJEBQUXCLNQ-UBDQQSCGSA-N 1 2 365.497 2.805 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)CC1 ZINC000329957203 510886934 /nfs/dbraw/zinc/88/69/34/510886934.db2.gz QARUJEBQUXCLNQ-UBDQQSCGSA-N 1 2 365.497 2.805 20 30 FFEDLO CCN1CCN(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329976180 510891302 /nfs/dbraw/zinc/89/13/02/510891302.db2.gz YMELBVMMPWJRQO-QGTPRVQTSA-N 1 2 353.470 2.936 20 30 FFEDLO CCN1CCN(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330000391 510897156 /nfs/dbraw/zinc/89/71/56/510897156.db2.gz WIJRDNKNJJFBJN-GVDBMIGSSA-N 1 2 363.506 2.598 20 30 FFEDLO C[C@@H]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000330003203 510899024 /nfs/dbraw/zinc/89/90/24/510899024.db2.gz BOFDNDGOTHUREL-CVEARBPZSA-N 1 2 350.488 2.570 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCC2C(C)(C)C2(C)C)cn1 ZINC000330031198 510903180 /nfs/dbraw/zinc/90/31/80/510903180.db2.gz SVHCXHPKNJYERP-GJZGRUSLSA-N 1 2 365.497 2.518 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCC2C(C)(C)C2(C)C)cn1 ZINC000330031198 510903185 /nfs/dbraw/zinc/90/31/85/510903185.db2.gz SVHCXHPKNJYERP-GJZGRUSLSA-N 1 2 365.497 2.518 20 30 FFEDLO C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000330047207 510906558 /nfs/dbraw/zinc/90/65/58/510906558.db2.gz JEXDLBZBTYMALE-STQMWFEESA-N 1 2 356.426 2.993 20 30 FFEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000330074024 510911109 /nfs/dbraw/zinc/91/11/09/510911109.db2.gz CNQRIMSIJQNXDK-HNNXBMFYSA-N 1 2 366.506 2.714 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)OC(C)(C)C)c(C#N)c1C ZINC000297371505 510921138 /nfs/dbraw/zinc/92/11/38/510921138.db2.gz HPEXMUBIJOGRDF-GFCCVEGCSA-N 1 2 364.446 2.552 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)OC(C)(C)C)c(C#N)c1C ZINC000297371505 510921146 /nfs/dbraw/zinc/92/11/46/510921146.db2.gz HPEXMUBIJOGRDF-GFCCVEGCSA-N 1 2 364.446 2.552 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)C[C@@]2(CCCOC2)O1 ZINC000330152724 510925728 /nfs/dbraw/zinc/92/57/28/510925728.db2.gz MGLXUMUTBQZOLO-JRBPQWBISA-N 1 2 368.518 2.808 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)C[C@@]2(CCCOC2)O1 ZINC000330152724 510925730 /nfs/dbraw/zinc/92/57/30/510925730.db2.gz MGLXUMUTBQZOLO-JRBPQWBISA-N 1 2 368.518 2.808 20 30 FFEDLO COC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000276510646 510940671 /nfs/dbraw/zinc/94/06/71/510940671.db2.gz SZIPFZNRIVSAQN-HXUWFJFHSA-N 1 2 351.450 2.910 20 30 FFEDLO C[C@H](c1nnnn1C1CC1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285538613 510947157 /nfs/dbraw/zinc/94/71/57/510947157.db2.gz QHKJKTFBBMNGAI-GFCCVEGCSA-N 1 2 356.405 2.623 20 30 FFEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@@H]2CCC(F)(F)C2)CC1 ZINC000330284245 510957373 /nfs/dbraw/zinc/95/73/73/510957373.db2.gz XEXQRXUSHWHGRT-OAHLLOKOSA-N 1 2 369.460 2.504 20 30 FFEDLO CCN1CCN(C(=O)Nc2cccc(N(C)C)c2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330325820 510964668 /nfs/dbraw/zinc/96/46/68/510964668.db2.gz JPHJYUNQZXSZOB-QGZVFWFLSA-N 1 2 356.474 2.708 20 30 FFEDLO CCN1CCN(C(=O)N[C@H](c2nc(C)cs2)C2CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330340369 510969552 /nfs/dbraw/zinc/96/95/52/510969552.db2.gz XVPYAHLTRVUACJ-CABCVRRESA-N 1 2 374.514 2.919 20 30 FFEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000360941579 510970438 /nfs/dbraw/zinc/97/04/38/510970438.db2.gz QDAPIKYEUNLJKR-ZIAGYGMSSA-N 1 2 350.413 2.730 20 30 FFEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000360941579 510970447 /nfs/dbraw/zinc/97/04/47/510970447.db2.gz QDAPIKYEUNLJKR-ZIAGYGMSSA-N 1 2 350.413 2.730 20 30 FFEDLO CCN1CCN(C(=O)Nc2cc(F)c(F)c(F)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330342045 510970963 /nfs/dbraw/zinc/97/09/63/510970963.db2.gz AKQRNJYDWLPVDT-CYBMUJFWSA-N 1 2 353.348 2.751 20 30 FFEDLO CCN1CCN(C(=O)Nc2ccc3c(c2)NC(=O)CC3)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330342676 510971328 /nfs/dbraw/zinc/97/13/28/510971328.db2.gz BEMSYUCFULKQBQ-MRXNPFEDSA-N 1 2 368.441 2.868 20 30 FFEDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000277801678 510973453 /nfs/dbraw/zinc/97/34/53/510973453.db2.gz PLJGCCYHHWDNJX-MRXNPFEDSA-N 1 2 359.413 2.956 20 30 FFEDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000277801678 510973456 /nfs/dbraw/zinc/97/34/56/510973456.db2.gz PLJGCCYHHWDNJX-MRXNPFEDSA-N 1 2 359.413 2.956 20 30 FFEDLO CCN1CCN(C(=O)Nc2ccc3ncsc3c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330357561 510973617 /nfs/dbraw/zinc/97/36/17/510973617.db2.gz SXZPPSAIHWSLGA-CQSZACIVSA-N 1 2 356.455 2.944 20 30 FFEDLO COc1ccc(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)c(Br)c1 ZINC000330465332 510984820 /nfs/dbraw/zinc/98/48/20/510984820.db2.gz GEFZUJKBBIGPNX-LLVKDONJSA-N 1 2 372.263 2.504 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000330491898 510985845 /nfs/dbraw/zinc/98/58/45/510985845.db2.gz PYNRFVIDGQNNPB-OAHLLOKOSA-N 1 2 363.502 2.771 20 30 FFEDLO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)no1 ZINC000330500876 510987605 /nfs/dbraw/zinc/98/76/05/510987605.db2.gz ROYIOKIIRBDVKR-SPYBWZPUSA-N 1 2 361.490 2.815 20 30 FFEDLO CC(C)c1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)no1 ZINC000330500876 510987609 /nfs/dbraw/zinc/98/76/09/510987609.db2.gz ROYIOKIIRBDVKR-SPYBWZPUSA-N 1 2 361.490 2.815 20 30 FFEDLO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C2)no1 ZINC000330500436 510987735 /nfs/dbraw/zinc/98/77/35/510987735.db2.gz OUGJQXCYSVCWCU-QWHCGFSZSA-N 1 2 365.478 2.590 20 30 FFEDLO CC(C)c1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C2)no1 ZINC000330500436 510987739 /nfs/dbraw/zinc/98/77/39/510987739.db2.gz OUGJQXCYSVCWCU-QWHCGFSZSA-N 1 2 365.478 2.590 20 30 FFEDLO COc1ccc(C(=O)NCC[N@@H+]2CCOCC2(C)C)cc1Br ZINC000330509022 510988626 /nfs/dbraw/zinc/98/86/26/510988626.db2.gz CKGSFXGBIVWHFK-UHFFFAOYSA-N 1 2 371.275 2.873 20 30 FFEDLO COc1ccc(C(=O)NCC[N@H+]2CCOCC2(C)C)cc1Br ZINC000330509022 510988632 /nfs/dbraw/zinc/98/86/32/510988632.db2.gz CKGSFXGBIVWHFK-UHFFFAOYSA-N 1 2 371.275 2.873 20 30 FFEDLO COc1ccc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1Br ZINC000330622250 511003193 /nfs/dbraw/zinc/00/31/93/511003193.db2.gz NMBFMTZKVROYBX-VXGBXAGGSA-N 1 2 371.275 2.872 20 30 FFEDLO COc1cc[nH+]cc1CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000294285972 511014730 /nfs/dbraw/zinc/01/47/30/511014730.db2.gz PYYNTTGHGAQAHM-UHFFFAOYSA-N 1 2 366.421 2.715 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2nc(C)no2)c(OC)c1 ZINC000285881276 511016783 /nfs/dbraw/zinc/01/67/83/511016783.db2.gz ZNCBEYAUGIHLLB-SJORKVTESA-N 1 2 373.453 2.692 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2nc(C)no2)c(OC)c1 ZINC000285881276 511016786 /nfs/dbraw/zinc/01/67/86/511016786.db2.gz ZNCBEYAUGIHLLB-SJORKVTESA-N 1 2 373.453 2.692 20 30 FFEDLO CC(C)Nc1nc(N[C@@H](CCC#N)c2ccccc2)nc(NCCO)[nH+]1 ZINC000286179451 511019729 /nfs/dbraw/zinc/01/97/29/511019729.db2.gz KUYNMNSYDNSRMJ-HNNXBMFYSA-N 1 2 355.446 2.553 20 30 FFEDLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@@H](CCC#N)c2ccccc2)n1 ZINC000286179451 511019743 /nfs/dbraw/zinc/01/97/43/511019743.db2.gz KUYNMNSYDNSRMJ-HNNXBMFYSA-N 1 2 355.446 2.553 20 30 FFEDLO CC(C)Nc1nc(NCCO)nc(N[C@@H](CCC#N)c2ccccc2)[nH+]1 ZINC000286179451 511019749 /nfs/dbraw/zinc/01/97/49/511019749.db2.gz KUYNMNSYDNSRMJ-HNNXBMFYSA-N 1 2 355.446 2.553 20 30 FFEDLO C=CCOc1ccc(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000286988724 511036983 /nfs/dbraw/zinc/03/69/83/511036983.db2.gz QHHBSYJCGYHRKO-UHFFFAOYSA-N 1 2 366.465 2.674 20 30 FFEDLO C[N@H+](CC(=O)NC(=O)NC(C)(C)C)[C@]1(c2ccccc2)CCCCC1=O ZINC000331030692 511038803 /nfs/dbraw/zinc/03/88/03/511038803.db2.gz ZFYVPMUFKHNRBB-FQEVSTJZSA-N 1 2 359.470 2.786 20 30 FFEDLO C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)[C@]1(c2ccccc2)CCCCC1=O ZINC000331030692 511038805 /nfs/dbraw/zinc/03/88/05/511038805.db2.gz ZFYVPMUFKHNRBB-FQEVSTJZSA-N 1 2 359.470 2.786 20 30 FFEDLO C=CCCCN(C)C(=O)C(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000297717799 511045674 /nfs/dbraw/zinc/04/56/74/511045674.db2.gz FRSIOKFGFPZBIN-KRWDZBQOSA-N 1 2 368.481 2.760 20 30 FFEDLO CC(=O)c1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000331496401 511066118 /nfs/dbraw/zinc/06/61/18/511066118.db2.gz YLDBCTXDWLJTDE-VFNWGFHPSA-N 1 2 355.482 2.733 20 30 FFEDLO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000331496401 511066122 /nfs/dbraw/zinc/06/61/22/511066122.db2.gz YLDBCTXDWLJTDE-VFNWGFHPSA-N 1 2 355.482 2.733 20 30 FFEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)C(C)(C)C ZINC000288436532 511075393 /nfs/dbraw/zinc/07/53/93/511075393.db2.gz PEEGXFCHDNHRAF-KRWDZBQOSA-N 1 2 351.406 2.977 20 30 FFEDLO CC[C@H](CC#N)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000290778499 511149789 /nfs/dbraw/zinc/14/97/89/511149789.db2.gz BYPYBUAYXLUJTK-LLVKDONJSA-N 1 2 359.167 2.981 20 30 FFEDLO CC(C)[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271320236 511161251 /nfs/dbraw/zinc/16/12/51/511161251.db2.gz AQRFJNHEYAFZFV-WOJBJXKFSA-N 1 2 370.497 2.589 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N(CCC#N)c2ccccc2)n1 ZINC000279777381 511211674 /nfs/dbraw/zinc/21/16/74/511211674.db2.gz UBIOGYNVQFKKRP-GOSISDBHSA-N 1 2 363.465 2.674 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N(CCC#N)c2ccccc2)n1 ZINC000279777381 511211678 /nfs/dbraw/zinc/21/16/78/511211678.db2.gz UBIOGYNVQFKKRP-GOSISDBHSA-N 1 2 363.465 2.674 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](CO)c3c(F)cccc3F)C2=O)cc1 ZINC000365110675 511263211 /nfs/dbraw/zinc/26/32/11/511263211.db2.gz QBOMAWMCNCVWNP-ROUUACIJSA-N 1 2 371.387 2.655 20 30 FFEDLO Cc1[nH+]c2ccccc2n1C1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 ZINC000280270047 511400655 /nfs/dbraw/zinc/40/06/55/511400655.db2.gz ORWDTIMTZVIADY-UHFFFAOYSA-N 1 2 358.467 2.615 20 30 FFEDLO COc1cc(NC(=O)C[NH+]2CCC(C)(C#N)CC2)c(OC)cc1Cl ZINC000272569204 511500038 /nfs/dbraw/zinc/50/00/38/511500038.db2.gz MWBCWOPRJICXNK-UHFFFAOYSA-N 1 2 351.834 2.921 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000273260801 511520592 /nfs/dbraw/zinc/52/05/92/511520592.db2.gz BXAPCQSMJVHVPO-JKSUJKDBSA-N 1 2 354.454 2.900 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000273306276 511521509 /nfs/dbraw/zinc/52/15/09/511521509.db2.gz LQQDOSSEGXFSOK-OCCSQVGLSA-N 1 2 373.432 2.843 20 30 FFEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000273271896 511522102 /nfs/dbraw/zinc/52/21/02/511522102.db2.gz GLVBFDMCLQAECN-CQSZACIVSA-N 1 2 356.426 2.596 20 30 FFEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1[nH+]cnc2c1c(Br)nn2C ZINC000280725886 511579075 /nfs/dbraw/zinc/57/90/75/511579075.db2.gz JIJDHSYOGUDHTP-MWLCHTKSSA-N 1 2 352.236 2.519 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)cc1 ZINC000296291087 511687782 /nfs/dbraw/zinc/68/77/82/511687782.db2.gz HXILGYPZEPVQHD-UHFFFAOYSA-N 1 2 367.409 2.582 20 30 FFEDLO C=CCN1CC[C@@H](Sc2nnc([C@H](CC)[NH+](C)C)n2CCCC)C1=O ZINC000281047105 511700891 /nfs/dbraw/zinc/70/08/91/511700891.db2.gz RZHLEPUQDREBLS-LSDHHAIUSA-N 1 2 365.547 2.970 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(CNc2cc(N3CCOCC3)nc[nH+]2)c1 ZINC000302873051 511718008 /nfs/dbraw/zinc/71/80/08/511718008.db2.gz CHKONPWVXFGYFX-MRXNPFEDSA-N 1 2 353.426 2.606 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(CNc2cc(N3CCOCC3)[nH+]cn2)c1 ZINC000302873051 511718015 /nfs/dbraw/zinc/71/80/15/511718015.db2.gz CHKONPWVXFGYFX-MRXNPFEDSA-N 1 2 353.426 2.606 20 30 FFEDLO N#Cc1ccc([N+](=O)[O-])c(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000274227058 511760649 /nfs/dbraw/zinc/76/06/49/511760649.db2.gz DCPUPDCZAJHCGB-UHFFFAOYSA-N 1 2 365.393 2.912 20 30 FFEDLO C=CCCCN(C)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000284624393 511798608 /nfs/dbraw/zinc/79/86/08/511798608.db2.gz IIZSMYUBDXLRAT-INIZCTEOSA-N 1 2 374.872 2.704 20 30 FFEDLO C=CCC(F)(F)C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000293167911 511867525 /nfs/dbraw/zinc/86/75/25/511867525.db2.gz UZOCYOACLXUOEV-OAHLLOKOSA-N 1 2 365.380 2.854 20 30 FFEDLO N#Cc1ccc(CSCC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000366236525 511915786 /nfs/dbraw/zinc/91/57/86/511915786.db2.gz VTFGZTNNVYOPDA-RTBURBONSA-N 1 2 373.522 2.551 20 30 FFEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@H]1CCC(=O)NC12CCC2 ZINC000328711602 511918704 /nfs/dbraw/zinc/91/87/04/511918704.db2.gz BGFIMGUAMMPUCO-INIZCTEOSA-N 1 2 353.426 2.918 20 30 FFEDLO O=C(Nc1ccccc1O)C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000328742490 511924188 /nfs/dbraw/zinc/92/41/88/511924188.db2.gz JNSVRVPJJVDYJQ-OAHLLOKOSA-N 1 2 368.437 2.678 20 30 FFEDLO O=C(C[NH+]1CCC(CC(=O)N2CCCC2)CC1)Nc1ccc2c(c1)OCO2 ZINC000328820519 511936601 /nfs/dbraw/zinc/93/66/01/511936601.db2.gz HNTHMKZSDZHYGW-UHFFFAOYSA-N 1 2 373.453 2.728 20 30 FFEDLO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc1 ZINC000328867027 511941978 /nfs/dbraw/zinc/94/19/78/511941978.db2.gz GVYOLBICWISAND-YRPNKDGESA-N 1 2 373.497 2.534 20 30 FFEDLO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc1 ZINC000328867027 511941982 /nfs/dbraw/zinc/94/19/82/511941982.db2.gz GVYOLBICWISAND-YRPNKDGESA-N 1 2 373.497 2.534 20 30 FFEDLO O=C(C[NH+]1CCN(c2cncc(F)c2)CC1)N[C@H]1CCOc2ccccc21 ZINC000328868437 511942608 /nfs/dbraw/zinc/94/26/08/511942608.db2.gz HGODESAPALIWQH-SFHVURJKSA-N 1 2 370.428 2.823 20 30 FFEDLO CC[C@@H]1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C[C@@H]1O ZINC000328878358 511944312 /nfs/dbraw/zinc/94/43/12/511944312.db2.gz JCIRPPDUVADHHM-NFAWXSAZSA-N 1 2 352.504 2.623 20 30 FFEDLO CC[C@@H]1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C[C@@H]1O ZINC000328878358 511944315 /nfs/dbraw/zinc/94/43/15/511944315.db2.gz JCIRPPDUVADHHM-NFAWXSAZSA-N 1 2 352.504 2.623 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000281763221 511958125 /nfs/dbraw/zinc/95/81/25/511958125.db2.gz SRTLHQDEHKOFKC-KRWDZBQOSA-N 1 2 358.467 2.832 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)NC2CCCCCC2)CCC(=O)N1C1CC1 ZINC000328982327 511960812 /nfs/dbraw/zinc/96/08/12/511960812.db2.gz SAXOFARBACZFFZ-VQIMIIECSA-N 1 2 373.501 2.841 20 30 FFEDLO COc1ccc2c(c1)OC[C@@H]([NH+]=C([O-])N1CCC(c3c[nH+]c[nH]3)CC1)C2 ZINC000328996615 511964300 /nfs/dbraw/zinc/96/43/00/511964300.db2.gz JYSMNRDVNOPSIY-HNNXBMFYSA-N 1 2 356.426 2.515 20 30 FFEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCCN1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000328997986 511964997 /nfs/dbraw/zinc/96/49/97/511964997.db2.gz FZWCTPQSZHWINC-GVDBMIGSSA-N 1 2 358.442 2.704 20 30 FFEDLO COc1ccccc1N1CC[C@@H](CNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000329084952 511979664 /nfs/dbraw/zinc/97/96/64/511979664.db2.gz GAYLLAGVGFLIAM-KRWDZBQOSA-N 1 2 373.497 2.733 20 30 FFEDLO O=C(C[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1)NCCC1=CCCCC1 ZINC000329096035 511982086 /nfs/dbraw/zinc/98/20/86/511982086.db2.gz LBIYTOVSAQSYLU-QGZVFWFLSA-N 1 2 365.543 2.873 20 30 FFEDLO O=C(C[N@H+]1CCC[C@@H]1C(=O)N1CCSCC1)NCCC1=CCCCC1 ZINC000329096035 511982090 /nfs/dbraw/zinc/98/20/90/511982090.db2.gz LBIYTOVSAQSYLU-QGZVFWFLSA-N 1 2 365.543 2.873 20 30 FFEDLO CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000329103943 511983375 /nfs/dbraw/zinc/98/33/75/511983375.db2.gz GIEFNLALWBTZFM-HZPDHXFCSA-N 1 2 361.490 2.745 20 30 FFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000329197214 512002317 /nfs/dbraw/zinc/00/23/17/512002317.db2.gz VCYOWRKXSGJGPG-ZGOJQLDESA-N 1 2 371.481 2.906 20 30 FFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000329197214 512002323 /nfs/dbraw/zinc/00/23/23/512002323.db2.gz VCYOWRKXSGJGPG-ZGOJQLDESA-N 1 2 371.481 2.906 20 30 FFEDLO CC1(C)C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C(C)(C)O1 ZINC000329226346 512008558 /nfs/dbraw/zinc/00/85/58/512008558.db2.gz AIXISGKJEHZCCH-SFHVURJKSA-N 1 2 370.497 2.936 20 30 FFEDLO C[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC000329239517 512011799 /nfs/dbraw/zinc/01/17/99/512011799.db2.gz QJVFQVHRCGHPMY-QHHYFVSCSA-N 1 2 373.501 2.649 20 30 FFEDLO C[C@@H]1CC[C@H](C)N(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000329244840 512012820 /nfs/dbraw/zinc/01/28/20/512012820.db2.gz UUKFKPPVQUTUJS-QHHYFVSCSA-N 1 2 373.501 2.649 20 30 FFEDLO CC[C@@](C)(C#N)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000285162569 512022599 /nfs/dbraw/zinc/02/25/99/512022599.db2.gz PPLHZYATFXGHRE-SFHVURJKSA-N 1 2 359.861 2.572 20 30 FFEDLO CC1CCC(NC(=O)C[NH+]2CCN(c3ccnc4c3cnn4C)CC2)CC1 ZINC000329352599 512032110 /nfs/dbraw/zinc/03/21/10/512032110.db2.gz DVKDWMGBWCZZNB-UHFFFAOYSA-N 1 2 370.501 2.626 20 30 FFEDLO Cc1sc(=O)n(CC(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1C ZINC000329386376 512037625 /nfs/dbraw/zinc/03/76/25/512037625.db2.gz QJDCNVSJCNFEQU-ZDUSSCGKSA-N 1 2 362.499 2.992 20 30 FFEDLO Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC000329453148 512050428 /nfs/dbraw/zinc/05/04/28/512050428.db2.gz NNAYGBAFWIZBKM-JKSUJKDBSA-N 1 2 367.453 2.676 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1nc2c(s1)CCCC2(C)C ZINC000329542510 512067746 /nfs/dbraw/zinc/06/77/46/512067746.db2.gz XUUSVBLLEMEIQK-LBPRGKRZSA-N 1 2 352.504 2.804 20 30 FFEDLO O=C(C[N@@H+]1CCOCC2(CCOCC2)C1)Nc1nc2c(s1)CCCC2 ZINC000329553930 512068445 /nfs/dbraw/zinc/06/84/45/512068445.db2.gz KGAPALOFGVRCSW-UHFFFAOYSA-N 1 2 365.499 2.739 20 30 FFEDLO O=C(C[N@H+]1CCOCC2(CCOCC2)C1)Nc1nc2c(s1)CCCC2 ZINC000329553930 512068448 /nfs/dbraw/zinc/06/84/48/512068448.db2.gz KGAPALOFGVRCSW-UHFFFAOYSA-N 1 2 365.499 2.739 20 30 FFEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000329572191 512071610 /nfs/dbraw/zinc/07/16/10/512071610.db2.gz MYTAFEOHFKAZGM-HQLMBJAVSA-N 1 2 368.543 2.667 20 30 FFEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000329572191 512071618 /nfs/dbraw/zinc/07/16/18/512071618.db2.gz MYTAFEOHFKAZGM-HQLMBJAVSA-N 1 2 368.543 2.667 20 30 FFEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000329612854 512077244 /nfs/dbraw/zinc/07/72/44/512077244.db2.gz OOUJZJJNMCAIAM-VQIMIIECSA-N 1 2 366.465 2.796 20 30 FFEDLO [O-]C(N[C@@H]1c2ccccc2CC12CCOCC2)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000329612854 512077248 /nfs/dbraw/zinc/07/72/48/512077248.db2.gz OOUJZJJNMCAIAM-VQIMIIECSA-N 1 2 366.465 2.796 20 30 FFEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2CCSc3ccccc32)CC1 ZINC000329636041 512080280 /nfs/dbraw/zinc/08/02/80/512080280.db2.gz YALHNUFEDOVPDD-PBHICJAKSA-N 1 2 373.522 2.918 20 30 FFEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(Cl)cc3OC(F)F)C[C@H]21 ZINC000329655264 512082582 /nfs/dbraw/zinc/08/25/82/512082582.db2.gz MAVAYCWHZZSICM-DGCLKSJQSA-N 1 2 361.776 2.502 20 30 FFEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(Cl)cc3OC(F)F)C[C@H]21 ZINC000329655264 512082584 /nfs/dbraw/zinc/08/25/84/512082584.db2.gz MAVAYCWHZZSICM-DGCLKSJQSA-N 1 2 361.776 2.502 20 30 FFEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(Cl)cc3OC(F)F)C[C@@H]21 ZINC000329655263 512083001 /nfs/dbraw/zinc/08/30/01/512083001.db2.gz MAVAYCWHZZSICM-AAEUAGOBSA-N 1 2 361.776 2.502 20 30 FFEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(Cl)cc3OC(F)F)C[C@@H]21 ZINC000329655263 512083003 /nfs/dbraw/zinc/08/30/03/512083003.db2.gz MAVAYCWHZZSICM-AAEUAGOBSA-N 1 2 361.776 2.502 20 30 FFEDLO C[C@@H]1[N@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)CCC12CCOCC2 ZINC000329670132 512084621 /nfs/dbraw/zinc/08/46/21/512084621.db2.gz MQYZXVRSFZOTKD-JKSUJKDBSA-N 1 2 360.454 2.674 20 30 FFEDLO C[C@@H]1[N@@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)CCC12CCOCC2 ZINC000329670132 512084624 /nfs/dbraw/zinc/08/46/24/512084624.db2.gz MQYZXVRSFZOTKD-JKSUJKDBSA-N 1 2 360.454 2.674 20 30 FFEDLO N#CC1(CS(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000329669340 512084635 /nfs/dbraw/zinc/08/46/35/512084635.db2.gz RJGSNVGFWGEKBZ-SFHVURJKSA-N 1 2 361.511 2.654 20 30 FFEDLO N#CC1(CS(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000329669340 512084640 /nfs/dbraw/zinc/08/46/40/512084640.db2.gz RJGSNVGFWGEKBZ-SFHVURJKSA-N 1 2 361.511 2.654 20 30 FFEDLO O=C(C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1)NC1(c2ccccc2)CCC1 ZINC000329673929 512085213 /nfs/dbraw/zinc/08/52/13/512085213.db2.gz VDVNJUUKUQJJQH-UHFFFAOYSA-N 1 2 355.442 2.726 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O)[NH+]1CCSCC1 ZINC000329843377 512103531 /nfs/dbraw/zinc/10/35/31/512103531.db2.gz KUDWEZKBJZVWCZ-GDBMZVCRSA-N 1 2 353.532 2.704 20 30 FFEDLO CC1(C)C[N@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)[C@@H]1[C@@H]1CCCO1 ZINC000329851272 512103954 /nfs/dbraw/zinc/10/39/54/512103954.db2.gz QRJCZPHNYIOGAP-DKSSEZFCSA-N 1 2 360.454 2.672 20 30 FFEDLO CC1(C)C[N@@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)[C@@H]1[C@@H]1CCCO1 ZINC000329851272 512103957 /nfs/dbraw/zinc/10/39/57/512103957.db2.gz QRJCZPHNYIOGAP-DKSSEZFCSA-N 1 2 360.454 2.672 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ncccc2OCCCC#N)C1 ZINC000364441888 512109328 /nfs/dbraw/zinc/10/93/28/512109328.db2.gz GJLCOOQMWJJTLJ-CQSZACIVSA-N 1 2 354.414 2.519 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cc1 ZINC000369580233 512491967 /nfs/dbraw/zinc/49/19/67/512491967.db2.gz YDLXDMOVAOQLEG-SFHVURJKSA-N 1 2 374.437 2.624 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cc1 ZINC000369580233 512491969 /nfs/dbraw/zinc/49/19/69/512491969.db2.gz YDLXDMOVAOQLEG-SFHVURJKSA-N 1 2 374.437 2.624 20 30 FFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000411194097 512514337 /nfs/dbraw/zinc/51/43/37/512514337.db2.gz PLLZUKJECFUJMZ-KRWDZBQOSA-N 1 2 369.425 2.512 20 30 FFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000411194097 512514342 /nfs/dbraw/zinc/51/43/42/512514342.db2.gz PLLZUKJECFUJMZ-KRWDZBQOSA-N 1 2 369.425 2.512 20 30 FFEDLO C#CCOc1ccc(F)cc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000369780743 512606169 /nfs/dbraw/zinc/60/61/69/512606169.db2.gz VBBCRARYAYDNKH-UHFFFAOYSA-N 1 2 356.401 2.735 20 30 FFEDLO N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000378204573 512638142 /nfs/dbraw/zinc/63/81/42/512638142.db2.gz WIRWNGNMYGPYQH-OAHLLOKOSA-N 1 2 362.389 2.741 20 30 FFEDLO N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000378204573 512638146 /nfs/dbraw/zinc/63/81/46/512638146.db2.gz WIRWNGNMYGPYQH-OAHLLOKOSA-N 1 2 362.389 2.741 20 30 FFEDLO N#Cc1ccc(-n2ccc(NCc3ccc(N4CCCC4)[nH+]c3)n2)c(F)c1 ZINC000367819138 512675990 /nfs/dbraw/zinc/67/59/90/512675990.db2.gz AJFDBFNQAZJANB-UHFFFAOYSA-N 1 2 362.412 2.912 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000367860287 512693097 /nfs/dbraw/zinc/69/30/97/512693097.db2.gz ZRGBJRYKAYACGN-UHFFFAOYSA-N 1 2 372.270 2.823 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000367860287 512693102 /nfs/dbraw/zinc/69/31/02/512693102.db2.gz ZRGBJRYKAYACGN-UHFFFAOYSA-N 1 2 372.270 2.823 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CC(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC000372337782 512823284 /nfs/dbraw/zinc/82/32/84/512823284.db2.gz FEHOKYLHAOKTOG-UHFFFAOYSA-N 1 2 370.416 2.923 20 30 FFEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000372341845 512825143 /nfs/dbraw/zinc/82/51/43/512825143.db2.gz JWCCVZFTFQUNLW-QGZVFWFLSA-N 1 2 366.446 2.894 20 30 FFEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000372341845 512825146 /nfs/dbraw/zinc/82/51/46/512825146.db2.gz JWCCVZFTFQUNLW-QGZVFWFLSA-N 1 2 366.446 2.894 20 30 FFEDLO CCN1CCN(c2cccc(Br)c2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000368183469 512835582 /nfs/dbraw/zinc/83/55/82/512835582.db2.gz HCWDGWNEOYRSJX-OAHLLOKOSA-N 1 2 360.259 2.927 20 30 FFEDLO N#CCOc1cccc(CC(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)c1 ZINC000374870013 513047305 /nfs/dbraw/zinc/04/73/05/513047305.db2.gz WIADLSHPZOQLPQ-LJQANCHMSA-N 1 2 369.852 2.958 20 30 FFEDLO CC(C)c1nc(C2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)no1 ZINC000370771881 513092306 /nfs/dbraw/zinc/09/23/06/513092306.db2.gz GYJIOJMURHCPGJ-UHFFFAOYSA-N 1 2 353.426 2.883 20 30 FFEDLO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428778678 513189391 /nfs/dbraw/zinc/18/93/91/513189391.db2.gz CSFJTMFEQVZJNU-MJGOQNOKSA-N 1 2 351.406 2.711 20 30 FFEDLO CCOC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428778678 513189396 /nfs/dbraw/zinc/18/93/96/513189396.db2.gz CSFJTMFEQVZJNU-MJGOQNOKSA-N 1 2 351.406 2.711 20 30 FFEDLO Cc1cc(Br)cn2cc(CCNC(=O)[C@]3(C#N)C[C@H]3C)[nH+]c12 ZINC000450600797 513268707 /nfs/dbraw/zinc/26/87/07/513268707.db2.gz UBPQUUKHTDVJKS-BZNIZROVSA-N 1 2 361.243 2.614 20 30 FFEDLO N#Cc1ccc(C2(C(=O)NCCNc3ccc4ccccc4[nH+]3)CC2)cc1 ZINC000440531820 513347490 /nfs/dbraw/zinc/34/74/90/513347490.db2.gz DILFABFIVGDMKK-UHFFFAOYSA-N 1 2 356.429 2.788 20 30 FFEDLO COc1cc(CNc2ccc[nH+]c2N2CCC(CO)CC2)ccc1C#N ZINC000440609447 513362601 /nfs/dbraw/zinc/36/26/01/513362601.db2.gz BAMSJHFXDXXFJK-UHFFFAOYSA-N 1 2 352.438 2.783 20 30 FFEDLO C=CC[N@H+](CC(=O)NCC(=O)c1ccccc1)Cc1ccc(OC)cc1 ZINC000434801923 513434450 /nfs/dbraw/zinc/43/44/50/513434450.db2.gz JSCIOKDYPRJJPK-UHFFFAOYSA-N 1 2 352.434 2.682 20 30 FFEDLO C=CC[N@@H+](CC(=O)NCC(=O)c1ccccc1)Cc1ccc(OC)cc1 ZINC000434801923 513434452 /nfs/dbraw/zinc/43/44/52/513434452.db2.gz JSCIOKDYPRJJPK-UHFFFAOYSA-N 1 2 352.434 2.682 20 30 FFEDLO C=CCc1cc(C[NH2+]C(C)(C)c2nocc2C(=O)OC)cc(OC)c1O ZINC000425374104 513534003 /nfs/dbraw/zinc/53/40/03/513534003.db2.gz OTZGJEQNIORYOU-UHFFFAOYSA-N 1 2 360.410 2.929 20 30 FFEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000441335377 513543451 /nfs/dbraw/zinc/54/34/51/513543451.db2.gz YHDUFHXZMGDIIW-FQEVSTJZSA-N 1 2 372.469 2.680 20 30 FFEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cnnn1Cc1ccccc1 ZINC000430082151 513548330 /nfs/dbraw/zinc/54/83/30/513548330.db2.gz SHKQHCGZQPPYIE-UHFFFAOYSA-N 1 2 361.449 2.847 20 30 FFEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cnnn1Cc1ccccc1 ZINC000430082151 513548336 /nfs/dbraw/zinc/54/83/36/513548336.db2.gz SHKQHCGZQPPYIE-UHFFFAOYSA-N 1 2 361.449 2.847 20 30 FFEDLO CCc1cc(N)nc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)[nH+]1 ZINC000447779302 513566323 /nfs/dbraw/zinc/56/63/23/513566323.db2.gz MISIEULPDYWFQN-VIFPVBQESA-N 1 2 373.507 2.993 20 30 FFEDLO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451213944 513597834 /nfs/dbraw/zinc/59/78/34/513597834.db2.gz UMPSYTHWVLXJIR-HIFRSBDPSA-N 1 2 367.902 2.653 20 30 FFEDLO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451213944 513597839 /nfs/dbraw/zinc/59/78/39/513597839.db2.gz UMPSYTHWVLXJIR-HIFRSBDPSA-N 1 2 367.902 2.653 20 30 FFEDLO C=CCC[C@H](NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000435765255 513679765 /nfs/dbraw/zinc/67/97/65/513679765.db2.gz SFBFMHSPFVEPRI-FQEVSTJZSA-N 1 2 367.497 2.955 20 30 FFEDLO Cc1ccc(F)c(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000448577514 513789657 /nfs/dbraw/zinc/78/96/57/513789657.db2.gz JBTRVLPCXPDFFI-UHFFFAOYSA-N 1 2 351.425 2.893 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C(F)(F)F)[nH]3)CC2)cc1 ZINC000448580232 513792358 /nfs/dbraw/zinc/79/23/58/513792358.db2.gz XGCCCLKCAYIWDK-UHFFFAOYSA-N 1 2 362.355 2.863 20 30 FFEDLO C=CCOc1ccc(CC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000448704097 513854081 /nfs/dbraw/zinc/85/40/81/513854081.db2.gz IIEQAKBHFCVHSP-UHFFFAOYSA-N 1 2 351.450 2.974 20 30 FFEDLO COc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1cccc(C#N)c1)CCO2 ZINC000451640104 513880218 /nfs/dbraw/zinc/88/02/18/513880218.db2.gz CDPVJOOWFGTAFI-AWEZNQCLSA-N 1 2 351.406 2.788 20 30 FFEDLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1cccc(C#N)c1)CCO2 ZINC000451640104 513880225 /nfs/dbraw/zinc/88/02/25/513880225.db2.gz CDPVJOOWFGTAFI-AWEZNQCLSA-N 1 2 351.406 2.788 20 30 FFEDLO COc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)NC1(C#N)CCCCC1)CCO2 ZINC000451644968 513885240 /nfs/dbraw/zinc/88/52/40/513885240.db2.gz XBPLXJULGRQKCQ-HNNXBMFYSA-N 1 2 357.454 2.621 20 30 FFEDLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)NC1(C#N)CCCCC1)CCO2 ZINC000451644968 513885246 /nfs/dbraw/zinc/88/52/46/513885246.db2.gz XBPLXJULGRQKCQ-HNNXBMFYSA-N 1 2 357.454 2.621 20 30 FFEDLO Cc1cc(OC[C@@H](O)C[N@H+](C)CCC#N)c(C)c(C)c1Br ZINC000414130756 513983696 /nfs/dbraw/zinc/98/36/96/513983696.db2.gz XYJBQFITEBABCV-AWEZNQCLSA-N 1 2 355.276 2.960 20 30 FFEDLO Cc1cc(OC[C@@H](O)C[N@@H+](C)CCC#N)c(C)c(C)c1Br ZINC000414130756 513983697 /nfs/dbraw/zinc/98/36/97/513983697.db2.gz XYJBQFITEBABCV-AWEZNQCLSA-N 1 2 355.276 2.960 20 30 FFEDLO C=CCSCCNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443553474 513992808 /nfs/dbraw/zinc/99/28/08/513992808.db2.gz YWTAWBVPHKLISC-UHFFFAOYSA-N 1 2 353.919 2.917 20 30 FFEDLO C=CCSCCNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443553474 513992813 /nfs/dbraw/zinc/99/28/13/513992813.db2.gz YWTAWBVPHKLISC-UHFFFAOYSA-N 1 2 353.919 2.917 20 30 FFEDLO C=CCC1(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CCCCC1 ZINC000448967685 513999128 /nfs/dbraw/zinc/99/91/28/513999128.db2.gz PFUDTHFFGHELEK-UHFFFAOYSA-N 1 2 361.530 2.574 20 30 FFEDLO C[C@H](O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(F)F ZINC000451827803 514007386 /nfs/dbraw/zinc/00/73/86/514007386.db2.gz FDVUGMLQZVKYBH-NSHDSACASA-N 1 2 371.453 2.775 20 30 FFEDLO C[C@H](O)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(F)F ZINC000451827803 514007394 /nfs/dbraw/zinc/00/73/94/514007394.db2.gz FDVUGMLQZVKYBH-NSHDSACASA-N 1 2 371.453 2.775 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451932364 514079191 /nfs/dbraw/zinc/07/91/91/514079191.db2.gz SUWLJSZWGUXJOM-LLVKDONJSA-N 1 2 352.847 2.662 20 30 FFEDLO Cc1cc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)ccc1C#N ZINC000443951118 514079922 /nfs/dbraw/zinc/07/99/22/514079922.db2.gz XBXJDDBPEFJEFU-UHFFFAOYSA-N 1 2 370.478 2.731 20 30 FFEDLO CCCC[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000437141624 514097928 /nfs/dbraw/zinc/09/79/28/514097928.db2.gz CWWMZCVHKNVUJJ-OAHLLOKOSA-N 1 2 372.437 2.949 20 30 FFEDLO CCCC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000437141624 514097937 /nfs/dbraw/zinc/09/79/37/514097937.db2.gz CWWMZCVHKNVUJJ-OAHLLOKOSA-N 1 2 372.437 2.949 20 30 FFEDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC1 ZINC000451972950 514104468 /nfs/dbraw/zinc/10/44/68/514104468.db2.gz PRNOQMITLLRWQV-ZDUSSCGKSA-N 1 2 355.891 2.511 20 30 FFEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000444232592 514161891 /nfs/dbraw/zinc/16/18/91/514161891.db2.gz RFSSJQDOLUROQD-UHFFFAOYSA-N 1 2 374.441 2.715 20 30 FFEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000444232592 514161898 /nfs/dbraw/zinc/16/18/98/514161898.db2.gz RFSSJQDOLUROQD-UHFFFAOYSA-N 1 2 374.441 2.715 20 30 FFEDLO CCN(c1ccccc1)c1cc(NCCCc2[nH]nc(N)c2C#N)[nH+]cn1 ZINC000432339313 514165556 /nfs/dbraw/zinc/16/55/56/514165556.db2.gz SNFYNOKDZIAQLD-UHFFFAOYSA-N 1 2 362.441 2.687 20 30 FFEDLO Cc1cc(NC(=O)NCCCNc2cccc[nH+]2)c(C#N)cc1N(C)C ZINC000417133400 514185953 /nfs/dbraw/zinc/18/59/53/514185953.db2.gz WDQXNZKDZYIHQN-UHFFFAOYSA-N 1 2 352.442 2.951 20 30 FFEDLO Cc1cc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c(C#N)cc1N(C)C ZINC000417146079 514193166 /nfs/dbraw/zinc/19/31/66/514193166.db2.gz XPNCUGHHDVCBTO-AWEZNQCLSA-N 1 2 352.442 2.688 20 30 FFEDLO N#Cc1ccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])s1 ZINC000420607587 514198742 /nfs/dbraw/zinc/19/87/42/514198742.db2.gz DKWXMEZGDRKOOF-UHFFFAOYSA-N 1 2 358.423 2.972 20 30 FFEDLO N#CCCCOc1cccc(C[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC000449550907 514249919 /nfs/dbraw/zinc/24/99/19/514249919.db2.gz CZBGBBHWWMLXNM-LJQANCHMSA-N 1 2 362.495 2.770 20 30 FFEDLO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC000449550907 514249923 /nfs/dbraw/zinc/24/99/23/514249923.db2.gz CZBGBBHWWMLXNM-LJQANCHMSA-N 1 2 362.495 2.770 20 30 FFEDLO C=CCC[C@H](C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000427751094 514301944 /nfs/dbraw/zinc/30/19/44/514301944.db2.gz AANSVJHOVWNFBB-SFTDATJTSA-N 1 2 372.509 2.686 20 30 FFEDLO C[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000420945342 514394348 /nfs/dbraw/zinc/39/43/48/514394348.db2.gz RPYNNAOHNMWWIC-ZIAGYGMSSA-N 1 2 361.511 2.777 20 30 FFEDLO C[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000420945342 514394354 /nfs/dbraw/zinc/39/43/54/514394354.db2.gz RPYNNAOHNMWWIC-ZIAGYGMSSA-N 1 2 361.511 2.777 20 30 FFEDLO N#Cc1cccc(OCCC[N@@H+]2CCc3c(nnn3-c3ccccc3)C2)c1 ZINC000433189086 514412579 /nfs/dbraw/zinc/41/25/79/514412579.db2.gz MZQHLKWMPHKPKU-UHFFFAOYSA-N 1 2 359.433 2.966 20 30 FFEDLO N#Cc1cccc(OCCC[N@H+]2CCc3c(nnn3-c3ccccc3)C2)c1 ZINC000433189086 514412588 /nfs/dbraw/zinc/41/25/88/514412588.db2.gz MZQHLKWMPHKPKU-UHFFFAOYSA-N 1 2 359.433 2.966 20 30 FFEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CC(OC(C)(C)C)C1 ZINC000420997799 514430051 /nfs/dbraw/zinc/43/00/51/514430051.db2.gz ARJAFQSYRRVANT-UHFFFAOYSA-N 1 2 350.484 2.610 20 30 FFEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CC(OC(C)(C)C)C1 ZINC000420997799 514430060 /nfs/dbraw/zinc/43/00/60/514430060.db2.gz ARJAFQSYRRVANT-UHFFFAOYSA-N 1 2 350.484 2.610 20 30 FFEDLO C[N@H+](CC(=O)NCCc1ccc(OC(F)(F)F)cc1)CC(C)(C)C#N ZINC000433315042 514456558 /nfs/dbraw/zinc/45/65/58/514456558.db2.gz WYBTZQWDDKRKON-UHFFFAOYSA-N 1 2 357.376 2.725 20 30 FFEDLO C[N@@H+](CC(=O)NCCc1ccc(OC(F)(F)F)cc1)CC(C)(C)C#N ZINC000433315042 514456564 /nfs/dbraw/zinc/45/65/64/514456564.db2.gz WYBTZQWDDKRKON-UHFFFAOYSA-N 1 2 357.376 2.725 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3cccc(F)c3C#N)CC2)C1 ZINC000428394598 514465058 /nfs/dbraw/zinc/46/50/58/514465058.db2.gz VVRPZCZEQSEJPD-AEFFLSMTSA-N 1 2 372.488 2.510 20 30 FFEDLO N#C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCCCC1 ZINC000450094848 514496177 /nfs/dbraw/zinc/49/61/77/514496177.db2.gz XERNZEQSBPDDJR-OAHLLOKOSA-N 1 2 353.382 2.983 20 30 FFEDLO N#Cc1cnc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)c(Cl)c1 ZINC000439257384 514516176 /nfs/dbraw/zinc/51/61/76/514516176.db2.gz KPHBNOJEABFTEE-UHFFFAOYSA-N 1 2 356.813 2.691 20 30 FFEDLO N#Cc1cnc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)c([N+](=O)[O-])c1 ZINC000450220334 514549177 /nfs/dbraw/zinc/54/91/77/514549177.db2.gz HXHDXJXDNKYGDM-UHFFFAOYSA-N 1 2 363.830 2.899 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000455484427 514549728 /nfs/dbraw/zinc/54/97/28/514549728.db2.gz ZQDMUPUWYRRQGF-CQSZACIVSA-N 1 2 370.432 2.507 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000455487858 514553477 /nfs/dbraw/zinc/55/34/77/514553477.db2.gz QTEZXUVPJICWDL-OAHLLOKOSA-N 1 2 355.442 2.694 20 30 FFEDLO COc1ccc(C#N)cc1NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000439490077 514564720 /nfs/dbraw/zinc/56/47/20/514564720.db2.gz GVHIYEQPCQRROA-UHFFFAOYSA-N 1 2 351.410 2.624 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNc3cccc(C#N)c3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000450254845 514566551 /nfs/dbraw/zinc/56/65/51/514566551.db2.gz KPGUWFCEMFJRBV-CYBMUJFWSA-N 1 2 353.382 2.699 20 30 FFEDLO CC(C)(C)CN1CCC[C@@H]([NH+]2CCN(c3ccccc3C#N)CC2)C1=O ZINC000461395067 514590709 /nfs/dbraw/zinc/59/07/09/514590709.db2.gz AGMHHOWNYLYRDC-LJQANCHMSA-N 1 2 354.498 2.717 20 30 FFEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000461410187 514601541 /nfs/dbraw/zinc/60/15/41/514601541.db2.gz ZMXIPFHCTCPROZ-UHFFFAOYSA-N 1 2 355.405 2.667 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1Cl ZINC000508092983 514664758 /nfs/dbraw/zinc/66/47/58/514664758.db2.gz FYCNXYZRTXQBIE-UHFFFAOYSA-N 1 2 373.825 2.652 20 30 FFEDLO COc1ccccc1CNC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502552714 514691546 /nfs/dbraw/zinc/69/15/46/514691546.db2.gz HIDDRZORUISOII-UHFFFAOYSA-N 1 2 361.445 2.972 20 30 FFEDLO COc1ccccc1CNC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502552714 514691557 /nfs/dbraw/zinc/69/15/57/514691557.db2.gz HIDDRZORUISOII-UHFFFAOYSA-N 1 2 361.445 2.972 20 30 FFEDLO C[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000461720604 514706155 /nfs/dbraw/zinc/70/61/55/514706155.db2.gz CDVAQKNSYVHTNL-MAUKXSAKSA-N 1 2 369.490 2.913 20 30 FFEDLO C=CCC[C@@H](CO)NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000458389144 514757206 /nfs/dbraw/zinc/75/72/06/514757206.db2.gz ZFHYRQOKCFJSJM-GJZGRUSLSA-N 1 2 367.440 2.556 20 30 FFEDLO C=CCC[C@@H](CO)NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000458389144 514757216 /nfs/dbraw/zinc/75/72/16/514757216.db2.gz ZFHYRQOKCFJSJM-GJZGRUSLSA-N 1 2 367.440 2.556 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000461898152 514773801 /nfs/dbraw/zinc/77/38/01/514773801.db2.gz ZWQWEPLJRSGXAB-CQSZACIVSA-N 1 2 352.438 2.611 20 30 FFEDLO N#Cc1cccc(CCNC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000466818557 514790364 /nfs/dbraw/zinc/79/03/64/514790364.db2.gz BCMPBUXCDCTIPS-UHFFFAOYSA-N 1 2 354.479 2.690 20 30 FFEDLO COCC[N@@H+](Cc1cc(C#N)ccc1Br)[C@@H]1CCO[C@H]1C ZINC000489457092 514854799 /nfs/dbraw/zinc/85/47/99/514854799.db2.gz BDOWCRJRIGQUTF-BLLLJJGKSA-N 1 2 353.260 2.947 20 30 FFEDLO COCC[N@H+](Cc1cc(C#N)ccc1Br)[C@@H]1CCO[C@H]1C ZINC000489457092 514854787 /nfs/dbraw/zinc/85/47/87/514854787.db2.gz BDOWCRJRIGQUTF-BLLLJJGKSA-N 1 2 353.260 2.947 20 30 FFEDLO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000485003459 514870674 /nfs/dbraw/zinc/87/06/74/514870674.db2.gz DIGLRDDOUDIOKF-IBGZPJMESA-N 1 2 353.422 2.624 20 30 FFEDLO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000485003459 514870684 /nfs/dbraw/zinc/87/06/84/514870684.db2.gz DIGLRDDOUDIOKF-IBGZPJMESA-N 1 2 353.422 2.624 20 30 FFEDLO CCN1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000456019144 514907995 /nfs/dbraw/zinc/90/79/95/514907995.db2.gz KMFDUXYCHFBLPF-SFHVURJKSA-N 1 2 365.481 2.755 20 30 FFEDLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000476238753 514961291 /nfs/dbraw/zinc/96/12/91/514961291.db2.gz ZPCJRZKKXNKTSL-OAHLLOKOSA-N 1 2 350.260 2.958 20 30 FFEDLO COC(=O)C(C)(C)[NH+]1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000489897555 515021776 /nfs/dbraw/zinc/02/17/76/515021776.db2.gz PYHBDXLKMWIAQP-UHFFFAOYSA-N 1 2 355.360 2.651 20 30 FFEDLO CCC[N@H+](CC(=O)N(CC)CCC#N)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490037965 515077251 /nfs/dbraw/zinc/07/72/51/515077251.db2.gz ZKIOMYSRYMKHOB-KRWDZBQOSA-N 1 2 358.486 2.796 20 30 FFEDLO CCC[N@@H+](CC(=O)N(CC)CCC#N)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490037965 515077262 /nfs/dbraw/zinc/07/72/62/515077262.db2.gz ZKIOMYSRYMKHOB-KRWDZBQOSA-N 1 2 358.486 2.796 20 30 FFEDLO C[C@H]1C[C@H](NC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)c2[nH+]ccn21 ZINC000453984207 515095573 /nfs/dbraw/zinc/09/55/73/515095573.db2.gz TXHSASVSIKXVDL-JQWIXIFHSA-N 1 2 371.466 2.874 20 30 FFEDLO C[C@H]1C[C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c2[nH+]ccn21 ZINC000456364049 515131908 /nfs/dbraw/zinc/13/19/08/515131908.db2.gz FUNYDADFMFSIIX-DOTOQJQBSA-N 1 2 365.437 2.732 20 30 FFEDLO C[C@H]1C[C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c2[nH+]ccn21 ZINC000456364052 515132017 /nfs/dbraw/zinc/13/20/17/515132017.db2.gz FUNYDADFMFSIIX-RDJZCZTQSA-N 1 2 365.437 2.732 20 30 FFEDLO C=C(CC)CNC(=O)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000454028702 515144752 /nfs/dbraw/zinc/14/47/52/515144752.db2.gz KYOJMFDSHOFJCC-UHFFFAOYSA-N 1 2 372.494 2.796 20 30 FFEDLO C=C(CC)CNC(=O)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000454028702 515144754 /nfs/dbraw/zinc/14/47/54/515144754.db2.gz KYOJMFDSHOFJCC-UHFFFAOYSA-N 1 2 372.494 2.796 20 30 FFEDLO Cc1cc(Br)cn2cc(CNC(=O)c3ccnc(C#N)c3)[nH+]c12 ZINC000476711348 515168126 /nfs/dbraw/zinc/16/81/26/515168126.db2.gz CQTMQUHSLNYMIN-UHFFFAOYSA-N 1 2 370.210 2.602 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(Oc4ccccc4)nn3)CC2)c1 ZINC000499099655 515199586 /nfs/dbraw/zinc/19/95/86/515199586.db2.gz BPKORINORXZPRF-UHFFFAOYSA-N 1 2 372.432 2.858 20 30 FFEDLO Cc1[nH+]c2cc(NC(=O)CNc3ccc(C#N)cc3)ccc2n1[C@@H](C)CO ZINC000456693857 515357614 /nfs/dbraw/zinc/35/76/14/515357614.db2.gz BFTRFXHCXAQEJU-ZDUSSCGKSA-N 1 2 363.421 2.820 20 30 FFEDLO C[C@@](O)(C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)C(F)(F)F ZINC000499776733 515449842 /nfs/dbraw/zinc/44/98/42/515449842.db2.gz XEPFSOUJLVIYIB-HUUCEWRRSA-N 1 2 361.795 2.836 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2cccs2)C(C)(C)C)C1=O ZINC000500017307 515559677 /nfs/dbraw/zinc/55/96/77/515559677.db2.gz UIZIPAGHGCCGOO-WMLDXEAASA-N 1 2 363.527 2.670 20 30 FFEDLO C=CCCCC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000456976405 515559663 /nfs/dbraw/zinc/55/96/63/515559663.db2.gz BWCYIKORTBJZJI-UHFFFAOYSA-N 1 2 354.248 2.976 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2cccs2)C(C)(C)C)C1=O ZINC000500017307 515559683 /nfs/dbraw/zinc/55/96/83/515559683.db2.gz UIZIPAGHGCCGOO-WMLDXEAASA-N 1 2 363.527 2.670 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(CC)c2cccc3ccccc32)C1=O ZINC000500016037 515559735 /nfs/dbraw/zinc/55/97/35/515559735.db2.gz FJQUKITUPGCJOL-FQEVSTJZSA-N 1 2 365.477 2.911 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(CC)c2cccc3ccccc32)C1=O ZINC000500016037 515559744 /nfs/dbraw/zinc/55/97/44/515559744.db2.gz FJQUKITUPGCJOL-FQEVSTJZSA-N 1 2 365.477 2.911 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(C#N)s3)c[nH+]2)C[C@H](C)O1 ZINC000486764176 515622446 /nfs/dbraw/zinc/62/24/46/515622446.db2.gz RZDRZTSRFXJTHU-BETUJISGSA-N 1 2 356.451 2.558 20 30 FFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000494230579 515777406 /nfs/dbraw/zinc/77/74/06/515777406.db2.gz LEHKDTDVNZAXIN-HXUWFJFHSA-N 1 2 370.497 2.589 20 30 FFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000494230579 515777417 /nfs/dbraw/zinc/77/74/17/515777417.db2.gz LEHKDTDVNZAXIN-HXUWFJFHSA-N 1 2 370.497 2.589 20 30 FFEDLO COC(=O)c1ccc(F)c(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000511100966 515779378 /nfs/dbraw/zinc/77/93/78/515779378.db2.gz KDSSOJQHGBWQCD-UHFFFAOYSA-N 1 2 371.387 2.945 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000469606640 515888030 /nfs/dbraw/zinc/88/80/30/515888030.db2.gz IGVPFDKEBOJZGH-JKSUJKDBSA-N 1 2 374.916 2.970 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000506472406 515890968 /nfs/dbraw/zinc/89/09/68/515890968.db2.gz UKWCHFZOEZMGDH-CQSZACIVSA-N 1 2 370.234 2.730 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000506472406 515890975 /nfs/dbraw/zinc/89/09/75/515890975.db2.gz UKWCHFZOEZMGDH-CQSZACIVSA-N 1 2 370.234 2.730 20 30 FFEDLO Cc1cc(C(=O)NCc2[nH+]ccn2CC(C)C)nn1-c1cccc(C#N)c1 ZINC000506502111 515900747 /nfs/dbraw/zinc/90/07/47/515900747.db2.gz IQGNPOJGLAUBFG-UHFFFAOYSA-N 1 2 362.437 2.835 20 30 FFEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(C#N)o2)c2ccc(Cl)cc2)C1 ZINC000494633620 515903912 /nfs/dbraw/zinc/90/39/12/515903912.db2.gz XJQPKNHXNGDRQO-IAGOWNOFSA-N 1 2 359.813 2.606 20 30 FFEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(C#N)o2)c2ccc(Cl)cc2)C1 ZINC000494633620 515903920 /nfs/dbraw/zinc/90/39/20/515903920.db2.gz XJQPKNHXNGDRQO-IAGOWNOFSA-N 1 2 359.813 2.606 20 30 FFEDLO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccc(C#N)s1 ZINC000487583419 515912995 /nfs/dbraw/zinc/91/29/95/515912995.db2.gz JKZBIHMXTIIILP-HNNXBMFYSA-N 1 2 354.479 2.560 20 30 FFEDLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000464824586 515978084 /nfs/dbraw/zinc/97/80/84/515978084.db2.gz VPHGASSVSXLOGT-QGZVFWFLSA-N 1 2 369.446 2.721 20 30 FFEDLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000464824586 515978094 /nfs/dbraw/zinc/97/80/94/515978094.db2.gz VPHGASSVSXLOGT-QGZVFWFLSA-N 1 2 369.446 2.721 20 30 FFEDLO CCOc1ccc(-c2cn(C3C[NH+](Cc4cc(C#N)n(C)c4)C3)nn2)cc1 ZINC000483313089 516027576 /nfs/dbraw/zinc/02/75/76/516027576.db2.gz VHKYOZYWMAJUQT-UHFFFAOYSA-N 1 2 362.437 2.611 20 30 FFEDLO CN(C)C(=O)c1cccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000507179180 516112957 /nfs/dbraw/zinc/11/29/57/516112957.db2.gz JUTIKHGOPGPKDL-UHFFFAOYSA-N 1 2 366.440 2.721 20 30 FFEDLO Cc1ccc(NC(=O)[C@H]([NH2+]CC(=O)NCC#N)c2ccccc2)cc1Cl ZINC000507276220 516150643 /nfs/dbraw/zinc/15/06/43/516150643.db2.gz FFGVVYWECHQYMB-GOSISDBHSA-N 1 2 370.840 2.558 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccc(OC)cc1OC)Cc1ccc(CO)o1 ZINC000512182922 516186355 /nfs/dbraw/zinc/18/63/55/516186355.db2.gz SUMALGNDYPSUTG-UHFFFAOYSA-N 1 2 374.437 2.806 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)Nc1ccc(OC)cc1OC)Cc1ccc(CO)o1 ZINC000512182922 516186364 /nfs/dbraw/zinc/18/63/64/516186364.db2.gz SUMALGNDYPSUTG-UHFFFAOYSA-N 1 2 374.437 2.806 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)Nc1cccc(C(=O)OC)c1)Cc1ccc(CO)o1 ZINC000512227460 516202731 /nfs/dbraw/zinc/20/27/31/516202731.db2.gz LDBNAAFJVUZPQT-UHFFFAOYSA-N 1 2 372.421 2.575 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)Nc1cccc(C(=O)OC)c1)Cc1ccc(CO)o1 ZINC000512227460 516202740 /nfs/dbraw/zinc/20/27/40/516202740.db2.gz LDBNAAFJVUZPQT-UHFFFAOYSA-N 1 2 372.421 2.575 20 30 FFEDLO Cc1cc(F)cc2c1C[N@@H+]([C@@H]1CC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 ZINC000507713525 516286979 /nfs/dbraw/zinc/28/69/79/516286979.db2.gz KGYRCHUAFNDDLK-LJQANCHMSA-N 1 2 363.392 2.696 20 30 FFEDLO Cc1cc(F)cc2c1C[N@H+]([C@@H]1CC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 ZINC000507713525 516286982 /nfs/dbraw/zinc/28/69/82/516286982.db2.gz KGYRCHUAFNDDLK-LJQANCHMSA-N 1 2 363.392 2.696 20 30 FFEDLO C[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H](c2ccccc2)O1 ZINC000528358646 516374835 /nfs/dbraw/zinc/37/48/35/516374835.db2.gz MJISKYPHXCHASU-DYESRHJHSA-N 1 2 374.440 2.748 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H](c2ccccc2)O1 ZINC000528358646 516374844 /nfs/dbraw/zinc/37/48/44/516374844.db2.gz MJISKYPHXCHASU-DYESRHJHSA-N 1 2 374.440 2.748 20 30 FFEDLO C[C@@H](c1cccc(NC(=O)Cc2ccc(C#N)nc2)c1)[NH+]1CCOCC1 ZINC000528421906 516424727 /nfs/dbraw/zinc/42/47/27/516424727.db2.gz GXTMGXZGTKLVIX-HNNXBMFYSA-N 1 2 350.422 2.528 20 30 FFEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@H](OCC(F)(F)F)C1)c1ccccc1 ZINC000523439954 516474143 /nfs/dbraw/zinc/47/41/43/516474143.db2.gz UWOIIOKAGQEEHU-INIZCTEOSA-N 1 2 369.387 2.977 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1)c1ccccc1 ZINC000523439954 516474154 /nfs/dbraw/zinc/47/41/54/516474154.db2.gz UWOIIOKAGQEEHU-INIZCTEOSA-N 1 2 369.387 2.977 20 30 FFEDLO C=CC[C@@H](CO)CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000540414758 516544897 /nfs/dbraw/zinc/54/48/97/516544897.db2.gz SCGFNSFOSRUTGD-MJGOQNOKSA-N 1 2 356.470 2.725 20 30 FFEDLO C=CCn1c(-c2ccccc2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000554646484 516565768 /nfs/dbraw/zinc/56/57/68/516565768.db2.gz IDQNEQXDIFVEGZ-UHFFFAOYSA-N 1 2 360.465 2.848 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000536021351 516595946 /nfs/dbraw/zinc/59/59/46/516595946.db2.gz CIZFNKRSAVDHFV-QGZVFWFLSA-N 1 2 361.854 2.677 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000536021351 516595953 /nfs/dbraw/zinc/59/59/53/516595953.db2.gz CIZFNKRSAVDHFV-QGZVFWFLSA-N 1 2 361.854 2.677 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536020598 516596383 /nfs/dbraw/zinc/59/63/83/516596383.db2.gz KGEXUBWYXYQXFS-SFHVURJKSA-N 1 2 355.463 2.652 20 30 FFEDLO C=CCOC[C@H]([NH2+][C@H]1CCc2cccc(Br)c2C1)C(=O)OC ZINC000513405760 516608088 /nfs/dbraw/zinc/60/80/88/516608088.db2.gz IMWHWBJEHOLMTN-BBRMVZONSA-N 1 2 368.271 2.640 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000544162818 516620421 /nfs/dbraw/zinc/62/04/21/516620421.db2.gz HMOOQENAAHGNPA-UHFFFAOYSA-N 1 2 364.405 2.721 20 30 FFEDLO N#Cc1csc(C[NH+]2CCC(Cc3nc(C4CCOCC4)no3)CC2)n1 ZINC000528725402 516648658 /nfs/dbraw/zinc/64/86/58/516648658.db2.gz UBXUICPXQLPZOE-UHFFFAOYSA-N 1 2 373.482 2.746 20 30 FFEDLO N#Cc1ccc(C2([NH2+]Cc3nnc(-c4ccco4)o3)CCOCC2)cc1 ZINC000528781110 516690630 /nfs/dbraw/zinc/69/06/30/516690630.db2.gz FGYQXJVSMHOJNG-UHFFFAOYSA-N 1 2 350.378 2.997 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)cc1 ZINC000548097377 516760167 /nfs/dbraw/zinc/76/01/67/516760167.db2.gz MLHNIGDHSYXGQE-AZUAARDMSA-N 1 2 367.424 2.905 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@H](OCc3ccccc3F)C2)cc1 ZINC000548097377 516760174 /nfs/dbraw/zinc/76/01/74/516760174.db2.gz MLHNIGDHSYXGQE-AZUAARDMSA-N 1 2 367.424 2.905 20 30 FFEDLO C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000513819418 516768131 /nfs/dbraw/zinc/76/81/31/516768131.db2.gz WOODHEHXEOQEAJ-KRWDZBQOSA-N 1 2 354.498 2.860 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000548124164 516779222 /nfs/dbraw/zinc/77/92/22/516779222.db2.gz CUKVMHXQKGTGQG-INIZCTEOSA-N 1 2 361.854 2.677 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000548124164 516779232 /nfs/dbraw/zinc/77/92/32/516779232.db2.gz CUKVMHXQKGTGQG-INIZCTEOSA-N 1 2 361.854 2.677 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000540941549 516787885 /nfs/dbraw/zinc/78/78/85/516787885.db2.gz YQQLBERZQXXRJK-INIZCTEOSA-N 1 2 361.854 2.677 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000540941549 516787890 /nfs/dbraw/zinc/78/78/90/516787890.db2.gz YQQLBERZQXXRJK-INIZCTEOSA-N 1 2 361.854 2.677 20 30 FFEDLO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000514008624 516830860 /nfs/dbraw/zinc/83/08/60/516830860.db2.gz NVJWZSALSMRHDA-BBWFWOEESA-N 1 2 372.488 2.997 20 30 FFEDLO N#Cc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000518977963 516839471 /nfs/dbraw/zinc/83/94/71/516839471.db2.gz RGCUHFAMCBWZRS-FQEVSTJZSA-N 1 2 364.449 2.623 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(-c4cccs4)on3)CC2)n1 ZINC000544876613 516971575 /nfs/dbraw/zinc/97/15/75/516971575.db2.gz AFZAPSPXUIGGAS-UHFFFAOYSA-N 1 2 351.435 2.992 20 30 FFEDLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3cccc(C#N)n3)CC2)c1C ZINC000544881318 516972959 /nfs/dbraw/zinc/97/29/59/516972959.db2.gz FEIWYOHTMWCLJE-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO N#Cc1csc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000514640141 516974519 /nfs/dbraw/zinc/97/45/19/516974519.db2.gz YCRDWDLPRGYODD-UHFFFAOYSA-N 1 2 351.435 2.737 20 30 FFEDLO C[N@H+](Cc1cccc(Br)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000532493152 517004658 /nfs/dbraw/zinc/00/46/58/517004658.db2.gz HERVZMRVXUYVEB-INIZCTEOSA-N 1 2 358.239 2.979 20 30 FFEDLO C[N@@H+](Cc1cccc(Br)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000532493152 517004661 /nfs/dbraw/zinc/00/46/61/517004661.db2.gz HERVZMRVXUYVEB-INIZCTEOSA-N 1 2 358.239 2.979 20 30 FFEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(N2CCCC2=O)c1 ZINC000537109148 517039384 /nfs/dbraw/zinc/03/93/84/517039384.db2.gz ZVYCJYGSOKHROW-VBKZILBWSA-N 1 2 362.433 2.562 20 30 FFEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2 ZINC000519612422 517078615 /nfs/dbraw/zinc/07/86/15/517078615.db2.gz OFMNZOACUSUGOF-NWDGAFQWSA-N 1 2 363.483 2.880 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000552137345 517102463 /nfs/dbraw/zinc/10/24/63/517102463.db2.gz PFWALCYLOCPFJS-HXUWFJFHSA-N 1 2 362.433 2.723 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000552137345 517102468 /nfs/dbraw/zinc/10/24/68/517102468.db2.gz PFWALCYLOCPFJS-HXUWFJFHSA-N 1 2 362.433 2.723 20 30 FFEDLO C[C@](O)(C1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1)C(F)(F)F ZINC000545224955 517115494 /nfs/dbraw/zinc/11/54/94/517115494.db2.gz KTKLOOZQDKOLIG-INIZCTEOSA-N 1 2 355.360 2.522 20 30 FFEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000514906469 517116180 /nfs/dbraw/zinc/11/61/80/517116180.db2.gz AQKPYJWRIALPGZ-GXTWGEPZSA-N 1 2 350.344 2.844 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3conc3Cc3ccccc3)CC2)n1 ZINC000552171698 517120404 /nfs/dbraw/zinc/12/04/04/517120404.db2.gz IAKXZSWAEXIZPC-UHFFFAOYSA-N 1 2 359.433 2.854 20 30 FFEDLO C=CC[N@@H+](Cc1cc(OC)cc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000529527017 517198748 /nfs/dbraw/zinc/19/87/48/517198748.db2.gz PWCFUHYLYNEGKT-CQSZACIVSA-N 1 2 363.401 2.889 20 30 FFEDLO C=CC[N@H+](Cc1cc(OC)cc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000529527017 517198760 /nfs/dbraw/zinc/19/87/60/517198760.db2.gz PWCFUHYLYNEGKT-CQSZACIVSA-N 1 2 363.401 2.889 20 30 FFEDLO COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548798010 517222202 /nfs/dbraw/zinc/22/22/02/517222202.db2.gz GWNUHGYGIYBTDK-MRXNPFEDSA-N 1 2 364.449 2.975 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000562604880 517229349 /nfs/dbraw/zinc/22/93/49/517229349.db2.gz UHMCPDCBGWNFKH-IUODEOHRSA-N 1 2 355.398 2.607 20 30 FFEDLO O=[N+]([O-])c1ccc(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)cn1 ZINC000533326943 517407064 /nfs/dbraw/zinc/40/70/64/517407064.db2.gz BMUCXFMBEYSEEF-UHFFFAOYSA-N 1 2 356.813 2.817 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)c2ccc(F)c(C#N)c2)[NH+]2CCOCC2)c1 ZINC000556397889 517409416 /nfs/dbraw/zinc/40/94/16/517409416.db2.gz GYJKZWNIGNCJND-FQEVSTJZSA-N 1 2 367.424 2.809 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000515996715 517533601 /nfs/dbraw/zinc/53/36/01/517533601.db2.gz JUWCKUNUGZOWSV-QYZOEREBSA-N 1 2 354.454 2.884 20 30 FFEDLO C[C@@H](C(=O)NCC#Cc1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000521056533 517597448 /nfs/dbraw/zinc/59/74/48/517597448.db2.gz OPPOJWZDSMKJOZ-SFHVURJKSA-N 1 2 365.452 2.504 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000527260882 517600753 /nfs/dbraw/zinc/60/07/53/517600753.db2.gz YHGKYJNCMMXNDQ-QGZVFWFLSA-N 1 2 371.403 2.978 20 30 FFEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H](c3cccc(Br)c3)C2)CCC1 ZINC000560321531 517696768 /nfs/dbraw/zinc/69/67/68/517696768.db2.gz YMXJRGFZLPXEQV-AWEZNQCLSA-N 1 2 362.271 2.801 20 30 FFEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)CCC1 ZINC000560321531 517696780 /nfs/dbraw/zinc/69/67/80/517696780.db2.gz YMXJRGFZLPXEQV-AWEZNQCLSA-N 1 2 362.271 2.801 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)c1C#N ZINC000530355034 517724472 /nfs/dbraw/zinc/72/44/72/517724472.db2.gz WPNWZEIIVPIGQF-UHFFFAOYSA-N 1 2 356.499 2.646 20 30 FFEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000549905594 517771699 /nfs/dbraw/zinc/77/16/99/517771699.db2.gz XTGLLQBQXMDMRG-ORAYPTAESA-N 1 2 363.396 2.760 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000516648214 517788826 /nfs/dbraw/zinc/78/88/26/517788826.db2.gz MNHVYZOKXHKXRR-QAPCUYQASA-N 1 2 366.552 2.859 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000516648214 517788835 /nfs/dbraw/zinc/78/88/35/517788835.db2.gz MNHVYZOKXHKXRR-QAPCUYQASA-N 1 2 366.552 2.859 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3c(C)nc4ccccn43)CC2)c1C#N ZINC000516677168 517804424 /nfs/dbraw/zinc/80/44/24/517804424.db2.gz OTAVROQDROOLEB-UHFFFAOYSA-N 1 2 352.467 2.602 20 30 FFEDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000546809326 517867455 /nfs/dbraw/zinc/86/74/55/517867455.db2.gz IMEVWXYPGSFXTP-RKDXNWHRSA-N 1 2 361.496 2.946 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546918316 517920273 /nfs/dbraw/zinc/92/02/73/517920273.db2.gz CGGPEMFAYSOLRL-AWEZNQCLSA-N 1 2 369.856 2.756 20 30 FFEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000563546438 517974677 /nfs/dbraw/zinc/97/46/77/517974677.db2.gz BDOBCTKMJWBQQO-GFCCVEGCSA-N 1 2 366.347 2.506 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000534656553 517987176 /nfs/dbraw/zinc/98/71/76/517987176.db2.gz ZCZSQJQKYDXJNM-ZWKOTPCHSA-N 1 2 355.825 2.891 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000534656553 517987182 /nfs/dbraw/zinc/98/71/82/517987182.db2.gz ZCZSQJQKYDXJNM-ZWKOTPCHSA-N 1 2 355.825 2.891 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCCc3c(cnn3C)C2)c1C ZINC000560727720 517990259 /nfs/dbraw/zinc/99/02/59/517990259.db2.gz XHXQYEOSZQPNMN-UHFFFAOYSA-N 1 2 365.481 2.732 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCc3c(cnn3C)C2)c1C ZINC000560727720 517990268 /nfs/dbraw/zinc/99/02/68/517990268.db2.gz XHXQYEOSZQPNMN-UHFFFAOYSA-N 1 2 365.481 2.732 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000566800321 518211039 /nfs/dbraw/zinc/21/10/39/518211039.db2.gz RKNKKLKABGLAPM-INIZCTEOSA-N 1 2 366.252 2.753 20 30 FFEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000566915189 518263175 /nfs/dbraw/zinc/26/31/75/518263175.db2.gz DFJZANDWBMINIG-CANCMXDXSA-N 1 2 353.451 2.531 20 30 FFEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000566915189 518263184 /nfs/dbraw/zinc/26/31/84/518263184.db2.gz DFJZANDWBMINIG-CANCMXDXSA-N 1 2 353.451 2.531 20 30 FFEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000566915190 518263825 /nfs/dbraw/zinc/26/38/25/518263825.db2.gz DFJZANDWBMINIG-SHZVTRLKSA-N 1 2 353.451 2.531 20 30 FFEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000566915190 518263830 /nfs/dbraw/zinc/26/38/30/518263830.db2.gz DFJZANDWBMINIG-SHZVTRLKSA-N 1 2 353.451 2.531 20 30 FFEDLO C[C@]1(c2ccc(F)cc2)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000564154300 518327980 /nfs/dbraw/zinc/32/79/80/518327980.db2.gz YVLKSEOUDNRCPQ-IBGZPJMESA-N 1 2 373.453 2.530 20 30 FFEDLO C[C@]1(c2ccc(F)cc2)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000564154300 518327984 /nfs/dbraw/zinc/32/79/84/518327984.db2.gz YVLKSEOUDNRCPQ-IBGZPJMESA-N 1 2 373.453 2.530 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNc3cc(C#N)c4ccccc4n3)c[nH+]2)CCO1 ZINC000564242220 518365898 /nfs/dbraw/zinc/36/58/98/518365898.db2.gz DIGWFTFSGYXFOM-OAHLLOKOSA-N 1 2 359.433 2.761 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+]([C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000578972964 518460629 /nfs/dbraw/zinc/46/06/29/518460629.db2.gz LDHOLCDZYTUERZ-GOSISDBHSA-N 1 2 364.424 2.883 20 30 FFEDLO N#CCCC1CCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000581999876 518540549 /nfs/dbraw/zinc/54/05/49/518540549.db2.gz LOHNNWIXECVYTJ-UHFFFAOYSA-N 1 2 370.497 2.744 20 30 FFEDLO C=CC[N@H+](Cc1cc(C(C)=O)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000567516568 518565958 /nfs/dbraw/zinc/56/59/58/518565958.db2.gz BDXHCRMENOBWHH-ZDUSSCGKSA-N 1 2 352.398 2.602 20 30 FFEDLO C=CC[N@@H+](Cc1cc(C(C)=O)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000567516568 518565963 /nfs/dbraw/zinc/56/59/63/518565963.db2.gz BDXHCRMENOBWHH-ZDUSSCGKSA-N 1 2 352.398 2.602 20 30 FFEDLO N#Cc1ncc(C(F)(F)F)cc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000567567689 518588424 /nfs/dbraw/zinc/58/84/24/518588424.db2.gz WDYTWSRRYLHKIT-OAHLLOKOSA-N 1 2 372.416 2.592 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](CCOc2ccc(F)cc2Cl)CC1 ZINC000579306871 518615045 /nfs/dbraw/zinc/61/50/45/518615045.db2.gz FCSXNSLWKJOURL-UHFFFAOYSA-N 1 2 360.820 2.947 20 30 FFEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)C[C@H](C)O2 ZINC000564790466 518615936 /nfs/dbraw/zinc/61/59/36/518615936.db2.gz HGTDFOQPLJKJSZ-QEEYODRMSA-N 1 2 368.437 2.767 20 30 FFEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)C[C@H](C)O2 ZINC000564790466 518615941 /nfs/dbraw/zinc/61/59/41/518615941.db2.gz HGTDFOQPLJKJSZ-QEEYODRMSA-N 1 2 368.437 2.767 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1 ZINC000576587822 518664771 /nfs/dbraw/zinc/66/47/71/518664771.db2.gz OFRGRWNNRHCGMQ-HXUWFJFHSA-N 1 2 358.486 2.564 20 30 FFEDLO N#Cc1cccc(CCNC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000579541486 518728454 /nfs/dbraw/zinc/72/84/54/518728454.db2.gz DWEBEDWKUKVDHT-UHFFFAOYSA-N 1 2 354.479 2.690 20 30 FFEDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnc2c(C#N)cnn2c1 ZINC000564989481 518732717 /nfs/dbraw/zinc/73/27/17/518732717.db2.gz NABMBPSBNAGZKD-UHFFFAOYSA-N 1 2 362.437 2.678 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnc2c(C#N)cnn2c1 ZINC000564989481 518732721 /nfs/dbraw/zinc/73/27/21/518732721.db2.gz NABMBPSBNAGZKD-UHFFFAOYSA-N 1 2 362.437 2.678 20 30 FFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000582495524 518782500 /nfs/dbraw/zinc/78/25/00/518782500.db2.gz LAFOXDAXKKYYCP-NSHDSACASA-N 1 2 357.195 2.512 20 30 FFEDLO N#Cc1cc(F)cc(C2(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)CC2)c1 ZINC000565122786 518798584 /nfs/dbraw/zinc/79/85/84/518798584.db2.gz NNLAZBBRSVVVJQ-GOSISDBHSA-N 1 2 351.381 2.804 20 30 FFEDLO COc1ccc2c(c1)OC(C)(C)C[N@@H+](Cc1cnc3c(C#N)cnn3c1)C2 ZINC000570842357 518807508 /nfs/dbraw/zinc/80/75/08/518807508.db2.gz DZKWAWGBCPYBMX-UHFFFAOYSA-N 1 2 363.421 2.783 20 30 FFEDLO COc1ccc2c(c1)OC(C)(C)C[N@H+](Cc1cnc3c(C#N)cnn3c1)C2 ZINC000570842357 518807517 /nfs/dbraw/zinc/80/75/17/518807517.db2.gz DZKWAWGBCPYBMX-UHFFFAOYSA-N 1 2 363.421 2.783 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CSCc1coc(-c2ccccc2)n1 ZINC000567995462 518822808 /nfs/dbraw/zinc/82/28/08/518822808.db2.gz LLMHIDSTKUESGX-SFHVURJKSA-N 1 2 358.467 2.535 20 30 FFEDLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NCC3(C#N)CC3)c2c1C ZINC000573776295 518828802 /nfs/dbraw/zinc/82/88/02/518828802.db2.gz XRIWXRCNWRICFH-UHFFFAOYSA-N 1 2 373.482 2.954 20 30 FFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000570931212 518847751 /nfs/dbraw/zinc/84/77/51/518847751.db2.gz HBNLPMJXQQFBPG-UHFFFAOYSA-N 1 2 353.304 2.857 20 30 FFEDLO C=C[C@H]1CCCCN1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000579787306 518850673 /nfs/dbraw/zinc/85/06/73/518850673.db2.gz OUXQRIFHYDVBOC-IBGZPJMESA-N 1 2 370.497 2.840 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)s1 ZINC000577122244 518925551 /nfs/dbraw/zinc/92/55/51/518925551.db2.gz OZQDIGGZSPHQOF-QGZVFWFLSA-N 1 2 374.897 2.617 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000582848031 518951617 /nfs/dbraw/zinc/95/16/17/518951617.db2.gz DXJRSJPKLCJCRJ-GOSISDBHSA-N 1 2 356.451 2.574 20 30 FFEDLO CC(C)Cc1nnc(NC(=O)C[N@H+](C)Cc2ccc(CC#N)cc2)s1 ZINC000589266656 518968497 /nfs/dbraw/zinc/96/84/97/518968497.db2.gz YMIUCGJIWRIMGU-UHFFFAOYSA-N 1 2 357.483 2.873 20 30 FFEDLO CC(C)Cc1nnc(NC(=O)C[N@@H+](C)Cc2ccc(CC#N)cc2)s1 ZINC000589266656 518968503 /nfs/dbraw/zinc/96/85/03/518968503.db2.gz YMIUCGJIWRIMGU-UHFFFAOYSA-N 1 2 357.483 2.873 20 30 FFEDLO C=C(C)Cn1c(C(C)C)nnc1N1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000580099030 519007711 /nfs/dbraw/zinc/00/77/11/519007711.db2.gz NBYUKXOHSOYIAG-UHFFFAOYSA-N 1 2 358.490 2.905 20 30 FFEDLO Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCC[N@@H+]1CCOCCC#N ZINC000583037612 519046970 /nfs/dbraw/zinc/04/69/70/519046970.db2.gz LILAVZBRXBDLSX-IBGZPJMESA-N 1 2 372.444 2.932 20 30 FFEDLO Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCC[N@H+]1CCOCCC#N ZINC000583037612 519046974 /nfs/dbraw/zinc/04/69/74/519046974.db2.gz LILAVZBRXBDLSX-IBGZPJMESA-N 1 2 372.444 2.932 20 30 FFEDLO C=C(C)Cn1c(N2CC[NH+](Cc3ccccn3)CC2)nnc1C(C)(C)C ZINC000568487874 519064025 /nfs/dbraw/zinc/06/40/25/519064025.db2.gz HCSMETUXDITVRI-UHFFFAOYSA-N 1 2 354.502 2.869 20 30 FFEDLO C=CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000571450819 519102390 /nfs/dbraw/zinc/10/23/90/519102390.db2.gz XEYUUSQWVVUYJS-HZPDHXFCSA-N 1 2 365.441 2.586 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000568581999 519109918 /nfs/dbraw/zinc/10/99/18/519109918.db2.gz NSBGGLJPDRXWEN-PBHICJAKSA-N 1 2 368.412 2.963 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000568581999 519109923 /nfs/dbraw/zinc/10/99/23/519109923.db2.gz NSBGGLJPDRXWEN-PBHICJAKSA-N 1 2 368.412 2.963 20 30 FFEDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)c1cc(F)c(F)c(F)c1F ZINC000590050885 519136963 /nfs/dbraw/zinc/13/69/63/519136963.db2.gz QHPFXGWUDSIJOQ-UHFFFAOYSA-N 1 2 355.213 2.932 20 30 FFEDLO C=CCCCCCNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000568659844 519151665 /nfs/dbraw/zinc/15/16/65/519151665.db2.gz KXYLAMRMHJTSLE-UHFFFAOYSA-N 1 2 355.486 2.908 20 30 FFEDLO COC(=O)c1cc([C@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)oc1C ZINC000577815853 519266991 /nfs/dbraw/zinc/26/69/91/519266991.db2.gz BJWZPJFNRMRMRF-ZDUSSCGKSA-N 1 2 354.410 2.525 20 30 FFEDLO CC(C)(CO)[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccnc1 ZINC000590600385 519283181 /nfs/dbraw/zinc/28/31/81/519283181.db2.gz LVYSIBQSRDICAF-GOSISDBHSA-N 1 2 363.421 2.853 20 30 FFEDLO CCCc1noc2nc(C3CC3)cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c12 ZINC000578016758 519373581 /nfs/dbraw/zinc/37/35/81/519373581.db2.gz JUGSJAAXWMPXQP-IBGZPJMESA-N 1 2 355.442 2.626 20 30 FFEDLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC000580843969 519389565 /nfs/dbraw/zinc/38/95/65/519389565.db2.gz JRMUVQCLBSLCEL-CYBMUJFWSA-N 1 2 372.270 2.994 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCCc1ccccc1Cl ZINC000583723863 519399275 /nfs/dbraw/zinc/39/92/75/519399275.db2.gz MDYUGCLAHUVJTB-UHFFFAOYSA-N 1 2 363.889 2.737 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000569296280 519473579 /nfs/dbraw/zinc/47/35/79/519473579.db2.gz SMXRHDDSZHEQSF-YJBOKZPZSA-N 1 2 360.502 2.878 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000569296280 519473581 /nfs/dbraw/zinc/47/35/81/519473581.db2.gz SMXRHDDSZHEQSF-YJBOKZPZSA-N 1 2 360.502 2.878 20 30 FFEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(Br)c(C#N)cc1F ZINC000572179397 519482632 /nfs/dbraw/zinc/48/26/32/519482632.db2.gz UAXBKLUULJFOPK-WCQYABFASA-N 1 2 368.250 2.759 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000569327488 519494326 /nfs/dbraw/zinc/49/43/26/519494326.db2.gz JLBCRYKOUSWHDT-UXHICEINSA-N 1 2 361.445 2.938 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000569327488 519494329 /nfs/dbraw/zinc/49/43/29/519494329.db2.gz JLBCRYKOUSWHDT-UXHICEINSA-N 1 2 361.445 2.938 20 30 FFEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(S(=O)(=O)CCC(C)(C)C#N)CC1 ZINC000575165145 519535441 /nfs/dbraw/zinc/53/54/41/519535441.db2.gz XZZPIVVNMLKUKZ-HNNXBMFYSA-N 1 2 367.490 2.774 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)c1 ZINC000581168632 519553688 /nfs/dbraw/zinc/55/36/88/519553688.db2.gz GLGMEEOPTCVLAB-LJQANCHMSA-N 1 2 359.433 2.877 20 30 FFEDLO COc1cc(CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)ccc1C#N ZINC000572418660 519602912 /nfs/dbraw/zinc/60/29/12/519602912.db2.gz QGSGJDOSLHJRJF-UHFFFAOYSA-N 1 2 369.812 2.867 20 30 FFEDLO C=CC[N@H+](Cc1ncnn1C(C)(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000569556060 519607970 /nfs/dbraw/zinc/60/79/70/519607970.db2.gz WCRCYHFQXGRHBX-HNNXBMFYSA-N 1 2 366.473 2.758 20 30 FFEDLO C=CC[N@@H+](Cc1ncnn1C(C)(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000569556060 519607972 /nfs/dbraw/zinc/60/79/72/519607972.db2.gz WCRCYHFQXGRHBX-HNNXBMFYSA-N 1 2 366.473 2.758 20 30 FFEDLO CC1(C)CCCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)[C@H]1C#N ZINC000581289339 519616135 /nfs/dbraw/zinc/61/61/35/519616135.db2.gz RQAXLASOTDEBHY-KRWDZBQOSA-N 1 2 358.467 2.634 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000602852713 519926756 /nfs/dbraw/zinc/92/67/56/519926756.db2.gz GRPUGFLFDNSFGS-GOSISDBHSA-N 1 2 355.463 2.607 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000602852713 519926767 /nfs/dbraw/zinc/92/67/67/519926767.db2.gz GRPUGFLFDNSFGS-GOSISDBHSA-N 1 2 355.463 2.607 20 30 FFEDLO CC(C)c1n[nH]c(CC2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)n1 ZINC000602862785 519935344 /nfs/dbraw/zinc/93/53/44/519935344.db2.gz LPHYBIGTUUHEPZ-UHFFFAOYSA-N 1 2 372.517 2.525 20 30 FFEDLO CC(C)c1nnc(CC2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)[nH]1 ZINC000602862785 519935347 /nfs/dbraw/zinc/93/53/47/519935347.db2.gz LPHYBIGTUUHEPZ-UHFFFAOYSA-N 1 2 372.517 2.525 20 30 FFEDLO CC(C)c1nc(CC2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)n[nH]1 ZINC000602862785 519935352 /nfs/dbraw/zinc/93/53/52/519935352.db2.gz LPHYBIGTUUHEPZ-UHFFFAOYSA-N 1 2 372.517 2.525 20 30 FFEDLO C[C@H](NC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1)c1ccc2ccccc2c1 ZINC000602862737 519935695 /nfs/dbraw/zinc/93/56/95/519935695.db2.gz NQILHAOBPBJTQZ-KURKYZTESA-N 1 2 364.493 2.935 20 30 FFEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000602865362 519936466 /nfs/dbraw/zinc/93/64/66/519936466.db2.gz XOODKAMFVPVHDQ-ZJUUUORDSA-N 1 2 357.195 2.510 20 30 FFEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(Nc3ccccc3C#N)CC2)c1 ZINC000602893812 519955596 /nfs/dbraw/zinc/95/55/96/519955596.db2.gz ITXLPVWMXQJMOJ-UHFFFAOYSA-N 1 2 359.433 2.945 20 30 FFEDLO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602974347 519999770 /nfs/dbraw/zinc/99/97/70/519999770.db2.gz MWLUNHZSTMFYGU-GOEBONIOSA-N 1 2 351.397 2.870 20 30 FFEDLO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602974347 519999778 /nfs/dbraw/zinc/99/97/78/519999778.db2.gz MWLUNHZSTMFYGU-GOEBONIOSA-N 1 2 351.397 2.870 20 30 FFEDLO CCOc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1OC ZINC000602977934 520002431 /nfs/dbraw/zinc/00/24/31/520002431.db2.gz IYPULTWTIFFGKM-USXIJHARSA-N 1 2 359.470 2.895 20 30 FFEDLO CCOc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1OC ZINC000602977934 520002438 /nfs/dbraw/zinc/00/24/38/520002438.db2.gz IYPULTWTIFFGKM-USXIJHARSA-N 1 2 359.470 2.895 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH+]1CCC(C)(F)CC1 ZINC000602993129 520011972 /nfs/dbraw/zinc/01/19/72/520011972.db2.gz QZWYIWIHZGDOQT-UHFFFAOYSA-N 1 2 364.465 2.776 20 30 FFEDLO N#CC[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000594659929 520071945 /nfs/dbraw/zinc/07/19/45/520071945.db2.gz KBMZVTYRLNHNGZ-IUODEOHRSA-N 1 2 365.355 2.963 20 30 FFEDLO N#CC[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000594659929 520071954 /nfs/dbraw/zinc/07/19/54/520071954.db2.gz KBMZVTYRLNHNGZ-IUODEOHRSA-N 1 2 365.355 2.963 20 30 FFEDLO Cc1cc(N2CCN(C(=O)Nc3ccnc(C#N)c3)CC2)nc(C(C)C)[nH+]1 ZINC000603139759 520101357 /nfs/dbraw/zinc/10/13/57/520101357.db2.gz PJFQQEJEEMOYKR-UHFFFAOYSA-N 1 2 365.441 2.529 20 30 FFEDLO N#Cc1ccc(NCC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cc1 ZINC000597641339 520152775 /nfs/dbraw/zinc/15/27/75/520152775.db2.gz RDJVEYWZQLNSTP-UHFFFAOYSA-N 1 2 369.494 2.591 20 30 FFEDLO CCn1cc[nH+]c1CNS(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594779789 520155068 /nfs/dbraw/zinc/15/50/68/520155068.db2.gz UPJHJCIWMIARIK-UHFFFAOYSA-N 1 2 360.464 2.776 20 30 FFEDLO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccncc3C#N)CC2)cc1F ZINC000592060516 520159837 /nfs/dbraw/zinc/15/98/37/520159837.db2.gz RQTJLLVZSQUCIL-UHFFFAOYSA-N 1 2 366.440 2.929 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cc1ccncc1C#N ZINC000592070852 520166653 /nfs/dbraw/zinc/16/66/53/520166653.db2.gz RBCSUTQXUSBCCV-SFHVURJKSA-N 1 2 350.466 2.676 20 30 FFEDLO C[C@@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592070852 520166659 /nfs/dbraw/zinc/16/66/59/520166659.db2.gz RBCSUTQXUSBCCV-SFHVURJKSA-N 1 2 350.466 2.676 20 30 FFEDLO C[C@@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592070852 520166665 /nfs/dbraw/zinc/16/66/65/520166665.db2.gz RBCSUTQXUSBCCV-SFHVURJKSA-N 1 2 350.466 2.676 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000608990983 520175327 /nfs/dbraw/zinc/17/53/27/520175327.db2.gz FREMLTHXPXWNNG-TZIWHRDSSA-N 1 2 370.424 2.705 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000608990983 520175333 /nfs/dbraw/zinc/17/53/33/520175333.db2.gz FREMLTHXPXWNNG-TZIWHRDSSA-N 1 2 370.424 2.705 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000608990981 520175823 /nfs/dbraw/zinc/17/58/23/520175823.db2.gz FREMLTHXPXWNNG-CTNGQTDRSA-N 1 2 370.424 2.705 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000608990981 520175829 /nfs/dbraw/zinc/17/58/29/520175829.db2.gz FREMLTHXPXWNNG-CTNGQTDRSA-N 1 2 370.424 2.705 20 30 FFEDLO COc1ccccc1CN1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000609075701 520185556 /nfs/dbraw/zinc/18/55/56/520185556.db2.gz ZRHDYZJSBWWPIO-UHFFFAOYSA-N 1 2 351.450 2.763 20 30 FFEDLO CN(C)c1ccc(CNC(=O)Nc2cc(C#N)ccc2OC(F)F)c[nH+]1 ZINC000609081288 520187674 /nfs/dbraw/zinc/18/76/74/520187674.db2.gz XZGDRHUSOLUSMZ-UHFFFAOYSA-N 1 2 361.352 2.942 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cnc(C4CC4)nc3)CC2)cc1 ZINC000609137635 520203319 /nfs/dbraw/zinc/20/33/19/520203319.db2.gz MBEIDZVBZCMZTR-UHFFFAOYSA-N 1 2 362.437 2.575 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000592147732 520223924 /nfs/dbraw/zinc/22/39/24/520223924.db2.gz NZCVCOZQVVIWKS-CQSZACIVSA-N 1 2 359.651 2.832 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000592147732 520223930 /nfs/dbraw/zinc/22/39/30/520223930.db2.gz NZCVCOZQVVIWKS-CQSZACIVSA-N 1 2 359.651 2.832 20 30 FFEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NC(C)(C)c2cccc(C#N)c2)C1 ZINC000603382720 520239692 /nfs/dbraw/zinc/23/96/92/520239692.db2.gz ZOXDLXOXEQRTNI-UHFFFAOYSA-N 1 2 369.490 2.760 20 30 FFEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NC(C)(C)c2cccc(C#N)c2)C1 ZINC000603382720 520239703 /nfs/dbraw/zinc/23/97/03/520239703.db2.gz ZOXDLXOXEQRTNI-UHFFFAOYSA-N 1 2 369.490 2.760 20 30 FFEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000600418377 520248884 /nfs/dbraw/zinc/24/88/84/520248884.db2.gz CPKOFVCFNXHXTA-SFHVURJKSA-N 1 2 365.433 2.605 20 30 FFEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000600418377 520248894 /nfs/dbraw/zinc/24/88/94/520248894.db2.gz CPKOFVCFNXHXTA-SFHVURJKSA-N 1 2 365.433 2.605 20 30 FFEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000609354562 520292562 /nfs/dbraw/zinc/29/25/62/520292562.db2.gz DQBGOGBWDQIILM-LJQANCHMSA-N 1 2 351.406 2.646 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000609538827 520349349 /nfs/dbraw/zinc/34/93/49/520349349.db2.gz YJFDDTJTDYJMPM-ZWOKBUDYSA-N 1 2 354.498 2.518 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000609539288 520349762 /nfs/dbraw/zinc/34/97/62/520349762.db2.gz WZUDPGQKOUDGHT-LQWHRVPQSA-N 1 2 368.525 2.909 20 30 FFEDLO Cc1nc2ccccc2nc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000609631394 520387550 /nfs/dbraw/zinc/38/75/50/520387550.db2.gz RPLSFVMUQIRNLU-UHFFFAOYSA-N 1 2 374.448 2.998 20 30 FFEDLO CN(C)c1ccc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cn1 ZINC000595432334 520468410 /nfs/dbraw/zinc/46/84/10/520468410.db2.gz ZTQKHDVSWWSCSX-IBGZPJMESA-N 1 2 353.445 2.669 20 30 FFEDLO C=CC[N@@H+](CC(=O)N(C)Cc1cnn(C)c1)Cc1ccc(Cl)s1 ZINC000613403875 520486817 /nfs/dbraw/zinc/48/68/17/520486817.db2.gz WZLYHLYBJHDOIE-UHFFFAOYSA-N 1 2 352.891 2.782 20 30 FFEDLO C=CC[N@H+](CC(=O)N(C)Cc1cnn(C)c1)Cc1ccc(Cl)s1 ZINC000613403875 520486825 /nfs/dbraw/zinc/48/68/25/520486825.db2.gz WZLYHLYBJHDOIE-UHFFFAOYSA-N 1 2 352.891 2.782 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000600829135 520492048 /nfs/dbraw/zinc/49/20/48/520492048.db2.gz GCXPDKKMBVGZQW-PXNSSMCTSA-N 1 2 372.488 2.821 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000600830412 520492355 /nfs/dbraw/zinc/49/23/55/520492355.db2.gz TXKFCVIDSCGGFM-FXAWDEMLSA-N 1 2 370.472 2.597 20 30 FFEDLO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000600830728 520492458 /nfs/dbraw/zinc/49/24/58/520492458.db2.gz XNYPFELNZJDXMQ-CRAIPNDOSA-N 1 2 360.477 2.701 20 30 FFEDLO CC(C)(CO)[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccnc1 ZINC000595502501 520511263 /nfs/dbraw/zinc/51/12/63/520511263.db2.gz YTCSKVBXOYBKRC-GOSISDBHSA-N 1 2 363.421 2.853 20 30 FFEDLO Cc1cccc2[nH+]c(CCNC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)cn21 ZINC000592745262 520553558 /nfs/dbraw/zinc/55/35/58/520553558.db2.gz DFRJUALVMDLUAK-HXUWFJFHSA-N 1 2 373.460 2.842 20 30 FFEDLO C=CCN1CC[C@H]([N@H+]2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)C1=O ZINC000595613197 520592980 /nfs/dbraw/zinc/59/29/80/520592980.db2.gz ITRAXGLBJTWMBH-ROUUACIJSA-N 1 2 356.466 2.714 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+]2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)C1=O ZINC000595613197 520592988 /nfs/dbraw/zinc/59/29/88/520592988.db2.gz ITRAXGLBJTWMBH-ROUUACIJSA-N 1 2 356.466 2.714 20 30 FFEDLO N#Cc1sccc1N1CC[NH+](Cc2cnnn2-c2ccccc2)CC1 ZINC000595629635 520605756 /nfs/dbraw/zinc/60/57/56/520605756.db2.gz HMVRCAAWONTLOH-UHFFFAOYSA-N 1 2 350.451 2.523 20 30 FFEDLO C[C@@H](C(=O)NCCc1cccs1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595631816 520610050 /nfs/dbraw/zinc/61/00/50/520610050.db2.gz IQMGTLCASKDKMM-AWEZNQCLSA-N 1 2 374.535 2.551 20 30 FFEDLO CCN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595634051 520610685 /nfs/dbraw/zinc/61/06/85/520610685.db2.gz VCKYOJJOGJMDLE-UHFFFAOYSA-N 1 2 368.506 2.790 20 30 FFEDLO Cc1cn2ccc(NC(=O)C3CCN(c4oc(C)nc4C#N)CC3)cc2[nH+]1 ZINC000598467997 520631681 /nfs/dbraw/zinc/63/16/81/520631681.db2.gz CJQMJHOQUGZTKA-UHFFFAOYSA-N 1 2 364.409 2.666 20 30 FFEDLO COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000610390006 520661766 /nfs/dbraw/zinc/66/17/66/520661766.db2.gz JOXQBNLEWPGSDY-CQSZACIVSA-N 1 2 361.467 2.658 20 30 FFEDLO COC(=O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000610390006 520661777 /nfs/dbraw/zinc/66/17/77/520661777.db2.gz JOXQBNLEWPGSDY-CQSZACIVSA-N 1 2 361.467 2.658 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)nc1 ZINC000595726867 520674374 /nfs/dbraw/zinc/67/43/74/520674374.db2.gz SODZASLJJXRODU-UHFFFAOYSA-N 1 2 374.448 2.674 20 30 FFEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cscn1 ZINC000595747790 520695331 /nfs/dbraw/zinc/69/53/31/520695331.db2.gz GPBFWDINXBVZBL-CQSZACIVSA-N 1 2 355.467 2.603 20 30 FFEDLO COc1ccc(C2CC[NH+](CC(=O)Nc3oc(C)c(C)c3C#N)CC2)nc1 ZINC000593042044 520702206 /nfs/dbraw/zinc/70/22/06/520702206.db2.gz WUDPAVNUKUPIPS-UHFFFAOYSA-N 1 2 368.437 2.990 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC([C@H]3CCCCO3)CC2)cc1 ZINC000595790539 520727679 /nfs/dbraw/zinc/72/76/79/520727679.db2.gz XBEVEQLEZRIBQC-LJQANCHMSA-N 1 2 362.495 2.613 20 30 FFEDLO N#CCc1ccccc1S(=O)(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000601308446 520733990 /nfs/dbraw/zinc/73/39/90/520733990.db2.gz SJNLKUHYKGOCKP-UHFFFAOYSA-N 1 2 370.478 2.616 20 30 FFEDLO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1nnc2n1CCCCC2 ZINC000595799907 520735771 /nfs/dbraw/zinc/73/57/71/520735771.db2.gz JTUPAAWUFMCOOF-YOEHRIQHSA-N 1 2 366.469 2.944 20 30 FFEDLO CC1CC[NH+](Cc2csc(NC(=O)CN3CC[C@@](C)(C#N)C3)n2)CC1 ZINC000595840276 520759897 /nfs/dbraw/zinc/75/98/97/520759897.db2.gz MTHJGNGLFLOQEU-SFHVURJKSA-N 1 2 361.515 2.549 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@@](C)(C#N)C2)cc1OC ZINC000595842173 520760342 /nfs/dbraw/zinc/76/03/42/520760342.db2.gz YJBZEFJFDLWMGR-JXFKEZNVSA-N 1 2 357.454 2.603 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@@](C)(C#N)C2)cc1OC ZINC000595842173 520760347 /nfs/dbraw/zinc/76/03/47/520760347.db2.gz YJBZEFJFDLWMGR-JXFKEZNVSA-N 1 2 357.454 2.603 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000595845180 520761837 /nfs/dbraw/zinc/76/18/37/520761837.db2.gz LBQOEEVUSZCOQP-INIZCTEOSA-N 1 2 365.433 2.922 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCOc2ccc(O)cc2C1 ZINC000595845180 520761844 /nfs/dbraw/zinc/76/18/44/520761844.db2.gz LBQOEEVUSZCOQP-INIZCTEOSA-N 1 2 365.433 2.922 20 30 FFEDLO CC(C)(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1c[nH+]c[nH]1 ZINC000598699379 520793778 /nfs/dbraw/zinc/79/37/78/520793778.db2.gz OEUKRVNOMAILEX-UHFFFAOYSA-N 1 2 365.437 2.909 20 30 FFEDLO CC(C)(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1c[nH]c[nH+]1 ZINC000598699379 520793781 /nfs/dbraw/zinc/79/37/81/520793781.db2.gz OEUKRVNOMAILEX-UHFFFAOYSA-N 1 2 365.437 2.909 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595888711 520795573 /nfs/dbraw/zinc/79/55/73/520795573.db2.gz FQNIBDJHDHZSGD-UKPHBRMFSA-N 1 2 372.387 2.534 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595888711 520795578 /nfs/dbraw/zinc/79/55/78/520795578.db2.gz FQNIBDJHDHZSGD-UKPHBRMFSA-N 1 2 372.387 2.534 20 30 FFEDLO C[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@H](CC(F)(F)F)O1 ZINC000595891269 520798550 /nfs/dbraw/zinc/79/85/50/520798550.db2.gz PJRHWHQOKPKADA-JQWIXIFHSA-N 1 2 361.389 2.990 20 30 FFEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@H](CC(F)(F)F)O1 ZINC000595891269 520798557 /nfs/dbraw/zinc/79/85/57/520798557.db2.gz PJRHWHQOKPKADA-JQWIXIFHSA-N 1 2 361.389 2.990 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3nc(C4CCOCC4)ns3)CC2)cc1 ZINC000596052317 520880070 /nfs/dbraw/zinc/88/00/70/520880070.db2.gz CRMLXDCXRWJJHO-UHFFFAOYSA-N 1 2 369.494 2.626 20 30 FFEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2c(C#N)cnn2C)CC1 ZINC000596063762 520888231 /nfs/dbraw/zinc/88/82/31/520888231.db2.gz SFNZGWWICQJXEO-ZDUSSCGKSA-N 1 2 352.467 2.785 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNc3nc(C#N)c(Cl)s3)c[nH+]2)C[C@@H](C)O1 ZINC000596076246 520897694 /nfs/dbraw/zinc/89/76/94/520897694.db2.gz NZIVDSJCFYQQTO-GHMZBOCLSA-N 1 2 363.874 2.711 20 30 FFEDLO CCc1nc(C#N)cc(NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)n1 ZINC000596080247 520901292 /nfs/dbraw/zinc/90/12/92/520901292.db2.gz DPUHMKPTFQQDSK-UHFFFAOYSA-N 1 2 370.460 2.902 20 30 FFEDLO N#Cc1cc(F)cc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)c1 ZINC000601709697 520914993 /nfs/dbraw/zinc/91/49/93/520914993.db2.gz DYACNUIPLFBKLI-LJQANCHMSA-N 1 2 353.397 2.834 20 30 FFEDLO CCO[C@H](C)c1nc(CN2CC[NH+](Cc3ccnc(C#N)c3)CC2)cs1 ZINC000610993838 520936117 /nfs/dbraw/zinc/93/61/17/520936117.db2.gz KDOVTTUFKCBJJH-OAHLLOKOSA-N 1 2 371.510 2.825 20 30 FFEDLO Cc1cc(N2CCOC3(CCC3)C2)c(C#N)c(N2CCOC3(CCC3)C2)[nH+]1 ZINC000596180230 520955643 /nfs/dbraw/zinc/95/56/43/520955643.db2.gz ZFZVMVBQQGDIGG-UHFFFAOYSA-N 1 2 368.481 2.780 20 30 FFEDLO CC(C)[C@@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)[NH+]1CCOCC1 ZINC000611092918 520981178 /nfs/dbraw/zinc/98/11/78/520981178.db2.gz MCCFGOQLLBQLTL-OAHLLOKOSA-N 1 2 370.280 2.952 20 30 FFEDLO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+]1CCN(CCC#N)CC1 ZINC000611175405 521023897 /nfs/dbraw/zinc/02/38/97/521023897.db2.gz BPNJMQJEXRAZCX-JKSUJKDBSA-N 1 2 354.454 2.530 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601974506 521050152 /nfs/dbraw/zinc/05/01/52/521050152.db2.gz JQDOMTFKXXOSJM-CJNGLKHVSA-N 1 2 369.387 2.817 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601974506 521050157 /nfs/dbraw/zinc/05/01/57/521050157.db2.gz JQDOMTFKXXOSJM-CJNGLKHVSA-N 1 2 369.387 2.817 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c1C#N ZINC000611348534 521110098 /nfs/dbraw/zinc/11/00/98/521110098.db2.gz ZSHVAPFPDSBFQU-IBGZPJMESA-N 1 2 366.465 2.822 20 30 FFEDLO CC(C)C[C@@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)n1cc[nH+]c1 ZINC000602095638 521138390 /nfs/dbraw/zinc/13/83/90/521138390.db2.gz LCQYMEYQNIZCQR-SFHVURJKSA-N 1 2 366.469 2.522 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000602096981 521139793 /nfs/dbraw/zinc/13/97/93/521139793.db2.gz OXWOOCUEYMYEAA-JHJVBQTASA-N 1 2 350.300 2.793 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc(OC(F)(F)F)cc1 ZINC000602096981 521139801 /nfs/dbraw/zinc/13/98/01/521139801.db2.gz OXWOOCUEYMYEAA-JHJVBQTASA-N 1 2 350.300 2.793 20 30 FFEDLO N#CCCC[C@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000596606207 521163259 /nfs/dbraw/zinc/16/32/59/521163259.db2.gz LTAZKNVTWKIFQK-MOPGFXCFSA-N 1 2 356.470 2.538 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000602145153 521170888 /nfs/dbraw/zinc/17/08/88/521170888.db2.gz XSCZOSWULIEVQV-LEWJYISDSA-N 1 2 361.445 2.945 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000602145153 521170894 /nfs/dbraw/zinc/17/08/94/521170894.db2.gz XSCZOSWULIEVQV-LEWJYISDSA-N 1 2 361.445 2.945 20 30 FFEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000611550225 521214284 /nfs/dbraw/zinc/21/42/84/521214284.db2.gz AGGHYGBUDOSHIT-FQRUVTKNSA-N 1 2 371.481 2.816 20 30 FFEDLO COC(=O)c1coc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000611552487 521216142 /nfs/dbraw/zinc/21/61/42/521216142.db2.gz BMXLZSJJIVUKTL-GOSISDBHSA-N 1 2 357.385 2.588 20 30 FFEDLO CC(C)N(C(=O)C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C(C)C ZINC000611552111 521216161 /nfs/dbraw/zinc/21/61/61/521216161.db2.gz PASCGCXIMPPIMD-LJQANCHMSA-N 1 2 360.477 2.653 20 30 FFEDLO Cc1cc(NC(=O)NC2CCN(CC#N)CC2)c[nH+]c1N1CCCC[C@H]1C ZINC000611558973 521219650 /nfs/dbraw/zinc/21/96/50/521219650.db2.gz MIXUFAKKDZUEKF-MRXNPFEDSA-N 1 2 370.501 2.878 20 30 FFEDLO N#Cc1sccc1N1CC[NH+]([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000599462842 521240190 /nfs/dbraw/zinc/24/01/90/521240190.db2.gz RWOQMMXXQLQLLB-QGZVFWFLSA-N 1 2 358.511 2.675 20 30 FFEDLO Cc1cc(NC(=O)NC2(c3cccc(C#N)c3)CCOCC2)c(C)c[nH+]1 ZINC000596815052 521305757 /nfs/dbraw/zinc/30/57/57/521305757.db2.gz SASHKNIPALPCKE-UHFFFAOYSA-N 1 2 350.422 2.819 20 30 FFEDLO N#CC1(CC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CCOCC1 ZINC000596820785 521308596 /nfs/dbraw/zinc/30/85/96/521308596.db2.gz TWFJRRONTOOJEE-UHFFFAOYSA-N 1 2 356.470 2.789 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599588797 521315341 /nfs/dbraw/zinc/31/53/41/521315341.db2.gz KVBZWUVFNAKWIL-PBHICJAKSA-N 1 2 357.454 2.796 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599588797 521315351 /nfs/dbraw/zinc/31/53/51/521315351.db2.gz KVBZWUVFNAKWIL-PBHICJAKSA-N 1 2 357.454 2.796 20 30 FFEDLO CCOC(=O)c1csc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)n1 ZINC000599631103 521343583 /nfs/dbraw/zinc/34/35/83/521343583.db2.gz UPWISUCBQMZXJO-UHFFFAOYSA-N 1 2 371.462 2.987 20 30 FFEDLO CS(=O)(=O)c1cccc(OCC[N@@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599678824 521395435 /nfs/dbraw/zinc/39/54/35/521395435.db2.gz NFUMZUHZUIABMB-UHFFFAOYSA-N 1 2 370.474 2.593 20 30 FFEDLO CS(=O)(=O)c1cccc(OCC[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599678824 521395443 /nfs/dbraw/zinc/39/54/43/521395443.db2.gz NFUMZUHZUIABMB-UHFFFAOYSA-N 1 2 370.474 2.593 20 30 FFEDLO COCC[N@H+](Cc1cc(C(F)(F)F)nn1C)Cc1ccc(C#N)cc1 ZINC000596983731 521423512 /nfs/dbraw/zinc/42/35/12/521423512.db2.gz FTDCINIQWZPXMP-UHFFFAOYSA-N 1 2 352.360 2.959 20 30 FFEDLO COCC[N@@H+](Cc1cc(C(F)(F)F)nn1C)Cc1ccc(C#N)cc1 ZINC000596983731 521423517 /nfs/dbraw/zinc/42/35/17/521423517.db2.gz FTDCINIQWZPXMP-UHFFFAOYSA-N 1 2 352.360 2.959 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)n1 ZINC000602629102 521445248 /nfs/dbraw/zinc/44/52/48/521445248.db2.gz HVQFEEDHMKBTLB-UHFFFAOYSA-N 1 2 368.388 2.536 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)n1 ZINC000602629102 521445256 /nfs/dbraw/zinc/44/52/56/521445256.db2.gz HVQFEEDHMKBTLB-UHFFFAOYSA-N 1 2 368.388 2.536 20 30 FFEDLO N#CCCN1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000602748624 521513795 /nfs/dbraw/zinc/51/37/95/521513795.db2.gz OEHABQFSPPLGBM-UHFFFAOYSA-N 1 2 362.271 2.756 20 30 FFEDLO COc1cc(C[NH+]2CCN(CCC#N)CC2)ccc1OCc1ccncc1 ZINC000602750393 521513841 /nfs/dbraw/zinc/51/38/41/521513841.db2.gz GGWQVBDQUHZPTL-UHFFFAOYSA-N 1 2 366.465 2.700 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(OC(F)(F)F)cc1 ZINC000615759724 521521910 /nfs/dbraw/zinc/52/19/10/521521910.db2.gz QRSBHTQTUSSGJY-TZMCWYRMSA-N 1 2 364.327 2.725 20 30 FFEDLO Cc1nc(-c2ccccc2)oc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000602780575 521528132 /nfs/dbraw/zinc/52/81/32/521528132.db2.gz WGNDSVIMPACWIS-UHFFFAOYSA-N 1 2 354.454 2.698 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc2c1OCO2 ZINC000597182750 521561057 /nfs/dbraw/zinc/56/10/57/521561057.db2.gz ZSWGJZLHFXAVSQ-UHFFFAOYSA-N 1 2 357.435 2.679 20 30 FFEDLO CCOc1cc(C[NH+]2CC(CC#N)C2)ccc1OCC(=O)N1CCCCC1 ZINC000597192311 521568075 /nfs/dbraw/zinc/56/80/75/521568075.db2.gz LALXFNBAXBEEST-UHFFFAOYSA-N 1 2 371.481 2.822 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1cccc(CC#N)c1 ZINC000619529529 521754555 /nfs/dbraw/zinc/75/45/55/521754555.db2.gz UDDAIRGXPDBOAN-QGZVFWFLSA-N 1 2 358.467 2.885 20 30 FFEDLO C=C[C@@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)C(=O)OC ZINC000619701918 521831869 /nfs/dbraw/zinc/83/18/69/521831869.db2.gz ZVYTVYOUFNLDTB-OAHLLOKOSA-N 1 2 368.271 2.815 20 30 FFEDLO C=CCSc1ccccc1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000634509937 523466553 /nfs/dbraw/zinc/46/65/53/523466553.db2.gz GOGYDOSWVQARPY-UHFFFAOYSA-N 1 2 368.506 2.755 20 30 FFEDLO N#Cc1ccc(-n2ccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)n2)c(Cl)c1 ZINC000515396859 562009006 /nfs/dbraw/zinc/00/90/06/562009006.db2.gz BLQZNVLGCFJHFO-ZDUSSCGKSA-N 1 2 366.812 2.795 20 30 FFEDLO C#CC[N@H+](CC#CC)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000744410898 735352961 /nfs/dbraw/zinc/35/29/61/735352961.db2.gz ZMXRPBMJSNJGJV-AWEZNQCLSA-N 1 2 352.507 2.899 20 30 FFEDLO C#CC[N@@H+](CC#CC)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000744410898 735352964 /nfs/dbraw/zinc/35/29/64/735352964.db2.gz ZMXRPBMJSNJGJV-AWEZNQCLSA-N 1 2 352.507 2.899 20 30 FFEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3occc3Br)C2=O)cc1 ZINC000752933953 736024068 /nfs/dbraw/zinc/02/40/68/736024068.db2.gz OEAIWDRHVZIGNP-OAHLLOKOSA-N 1 2 374.238 2.804 20 30 FFEDLO N#Cc1sc2ccccc2c1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000906912926 736558914 /nfs/dbraw/zinc/55/89/14/736558914.db2.gz QGESNCDXTVTWMD-ZDUSSCGKSA-N 1 2 372.475 2.995 20 30 FFEDLO C#CC[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000868950901 731347839 /nfs/dbraw/zinc/34/78/39/731347839.db2.gz FKGMRTZBHQYMLV-INIZCTEOSA-N 1 2 358.511 2.580 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2ccc(F)c(Br)c2)nn1 ZINC000656461093 731581045 /nfs/dbraw/zinc/58/10/45/731581045.db2.gz QJEVRLBUAKJKTF-NSHDSACASA-N 1 2 351.223 2.902 20 30 FFEDLO CSc1nnc(SC)n1[NH+]=C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000872418018 731763922 /nfs/dbraw/zinc/76/39/22/731763922.db2.gz XPRVEMUJEWGKQE-JTQLQIEISA-N 1 2 370.525 2.763 20 30 FFEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1c(C)cccc1C#N ZINC000872511173 731783255 /nfs/dbraw/zinc/78/32/55/731783255.db2.gz LZQIFTIEWBZNBT-UHFFFAOYSA-N 1 2 359.451 2.884 20 30 FFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000660448877 732110440 /nfs/dbraw/zinc/11/04/40/732110440.db2.gz VYDWMSVAISZZRU-ZHALLVOQSA-N 1 2 367.559 2.628 20 30 FFEDLO CCOC(=O)c1sc([C@@H]2CC[N@H+](Cc3ccncc3C#N)C2)nc1C ZINC000880327111 732892086 /nfs/dbraw/zinc/89/20/86/732892086.db2.gz WJQNHLKAGNQNON-CQSZACIVSA-N 1 2 356.451 2.884 20 30 FFEDLO CCOC(=O)c1sc([C@@H]2CC[N@@H+](Cc3ccncc3C#N)C2)nc1C ZINC000880327111 732892088 /nfs/dbraw/zinc/89/20/88/732892088.db2.gz WJQNHLKAGNQNON-CQSZACIVSA-N 1 2 356.451 2.884 20 30 FFEDLO Cc1nc(C#N)cc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)n1 ZINC000882148728 733179701 /nfs/dbraw/zinc/17/97/01/733179701.db2.gz UJKFPWIZBPXYKK-AEFFLSMTSA-N 1 2 357.845 2.794 20 30 FFEDLO Cc1nc(C#N)cc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000882148728 733179705 /nfs/dbraw/zinc/17/97/05/733179705.db2.gz UJKFPWIZBPXYKK-AEFFLSMTSA-N 1 2 357.845 2.794 20 30 FFEDLO C=CCC1(O)CC[NH+](CN2Cc3ccc(Br)cc3C2=O)CC1 ZINC000884479420 733529634 /nfs/dbraw/zinc/52/96/34/733529634.db2.gz GTKAOIDJKHFJQY-UHFFFAOYSA-N 1 2 365.271 2.765 20 30 FFEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(CCC#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000885057388 733617489 /nfs/dbraw/zinc/61/74/89/733617489.db2.gz MRDHLCNDAVHZGX-YJBOKZPZSA-N 1 2 358.467 2.611 20 30 FFEDLO C#CC[N@@H+](Cc1snnc1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426050 733789288 /nfs/dbraw/zinc/78/92/88/733789288.db2.gz FOSMETSSBMHFRU-UHFFFAOYSA-N 1 2 350.488 2.681 20 30 FFEDLO C#CC[N@H+](Cc1snnc1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426050 733789290 /nfs/dbraw/zinc/78/92/90/733789290.db2.gz FOSMETSSBMHFRU-UHFFFAOYSA-N 1 2 350.488 2.681 20 30 FFEDLO COC(=O)c1ccoc1CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949307 738766965 /nfs/dbraw/zinc/76/69/65/738766965.db2.gz SZTCEYNYRSRPFG-UHFFFAOYSA-N 1 2 353.172 2.666 20 30 FFEDLO COC(=O)c1coc(CO[NH+]=C(N)c2ccc(Br)cc2)c1 ZINC000782949243 738767241 /nfs/dbraw/zinc/76/72/41/738767241.db2.gz RSOOTSUUUWJWDN-UHFFFAOYSA-N 1 2 353.172 2.666 20 30 FFEDLO CNS(=O)(=O)c1ccc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000783699746 738827439 /nfs/dbraw/zinc/82/74/39/738827439.db2.gz GRRMZGRIBBDQEZ-QPJJXVBHSA-N 1 2 373.459 2.738 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CSCCC(=O)OC)c1 ZINC000730285246 734625382 /nfs/dbraw/zinc/62/53/82/734625382.db2.gz JUQVCDJUHZOJDT-KRWDZBQOSA-N 1 2 360.479 2.519 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CSCCC(=O)OC)c1 ZINC000730285246 734625384 /nfs/dbraw/zinc/62/53/84/734625384.db2.gz JUQVCDJUHZOJDT-KRWDZBQOSA-N 1 2 360.479 2.519 20 30 FFEDLO S=C1N=NC([C@@H]2CCCCO2)N1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783849268 738841607 /nfs/dbraw/zinc/84/16/07/738841607.db2.gz NVXCBUBBZSXRAE-ZDUSSCGKSA-N 1 2 360.468 2.938 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000732066436 734715464 /nfs/dbraw/zinc/71/54/64/734715464.db2.gz QJTZAQVDFSBWTQ-KRWDZBQOSA-N 1 2 363.914 2.929 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000732066436 734715468 /nfs/dbraw/zinc/71/54/68/734715468.db2.gz QJTZAQVDFSBWTQ-KRWDZBQOSA-N 1 2 363.914 2.929 20 30 FFEDLO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)C2N=NC(=O)N2C)cc1OC ZINC000895170807 734971084 /nfs/dbraw/zinc/97/10/84/734971084.db2.gz GRHJMEOXPUTROH-JTQLQIEISA-N 1 2 352.822 2.598 20 30 FFEDLO Cc1cccn2c(/C=C\C(=O)c3cccc(NS(C)(=O)=O)c3)c[nH+]c12 ZINC000741469041 735144639 /nfs/dbraw/zinc/14/46/39/735144639.db2.gz ZQWYXCDXEVEDSH-HJWRWDBZSA-N 1 2 355.419 2.910 20 30 FFEDLO C=CCn1nnn(C[N@H+]2CCC[C@H](Cc3ccc(OC)cc3)C2)c1=S ZINC000742154902 735207040 /nfs/dbraw/zinc/20/70/40/735207040.db2.gz DSVFYLGUEMPWHG-MRXNPFEDSA-N 1 2 359.499 2.916 20 30 FFEDLO C=CCn1nnn(C[N@@H+]2CCC[C@H](Cc3ccc(OC)cc3)C2)c1=S ZINC000742154902 735207041 /nfs/dbraw/zinc/20/70/41/735207041.db2.gz DSVFYLGUEMPWHG-MRXNPFEDSA-N 1 2 359.499 2.916 20 30 FFEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]Cc1cc(C#N)ccc1F ZINC000742381768 735235249 /nfs/dbraw/zinc/23/52/49/735235249.db2.gz IRHJDRJGKYVTJJ-UHFFFAOYSA-N 1 2 356.323 2.970 20 30 FFEDLO N#CCn1c(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)nc2ccccc2c1=O ZINC000752358787 735979591 /nfs/dbraw/zinc/97/95/91/735979591.db2.gz IGHMCXVWRTVUBD-IAGOWNOFSA-N 1 2 354.479 2.780 20 30 FFEDLO N#CCn1c(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)nc2ccccc2c1=O ZINC000752358787 735979595 /nfs/dbraw/zinc/97/95/95/735979595.db2.gz IGHMCXVWRTVUBD-IAGOWNOFSA-N 1 2 354.479 2.780 20 30 FFEDLO C#CCN(C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000764737845 737045276 /nfs/dbraw/zinc/04/52/76/737045276.db2.gz HBGFRKJGXRFTSO-QZTJIDSGSA-N 1 2 361.873 2.519 20 30 FFEDLO C#CCN(C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000764737845 737045281 /nfs/dbraw/zinc/04/52/81/737045281.db2.gz HBGFRKJGXRFTSO-QZTJIDSGSA-N 1 2 361.873 2.519 20 30 FFEDLO C=C(Cl)CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000766319654 737218869 /nfs/dbraw/zinc/21/88/69/737218869.db2.gz OWUHDIXIHDVWCK-LSDHHAIUSA-N 1 2 358.269 2.763 20 30 FFEDLO C=C(Cl)CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000766319654 737218872 /nfs/dbraw/zinc/21/88/72/737218872.db2.gz OWUHDIXIHDVWCK-LSDHHAIUSA-N 1 2 358.269 2.763 20 30 FFEDLO C[Si](C)(C)C#CCCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000912336802 737292705 /nfs/dbraw/zinc/29/27/05/737292705.db2.gz LOAUBDZFOUSLEN-UHFFFAOYSA-N 1 2 354.530 2.996 20 30 FFEDLO Brc1cc(N[NH+]=Cc2cnc(N3CCOCC3)s2)ccn1 ZINC000769800381 737567851 /nfs/dbraw/zinc/56/78/51/737567851.db2.gz VCAUHBZQDLRUSZ-UHFFFAOYSA-N 1 2 368.260 2.583 20 30 FFEDLO CN(C)c1cc(Cl)cc(Cl)c1C=[NH+]NCC(C)(C)S(C)(=O)=O ZINC000811648234 741545724 /nfs/dbraw/zinc/54/57/24/741545724.db2.gz HHGVHMSAPCLOEX-UHFFFAOYSA-N 1 2 366.314 2.806 20 30 FFEDLO CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000916267674 737691305 /nfs/dbraw/zinc/69/13/05/737691305.db2.gz UJPHEXYQSBLSMY-UHFFFAOYSA-N 1 2 354.435 2.883 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1csc(-c2ccc(C(=O)OC)cc2)n1)[C@H]1CCCO1 ZINC000775804524 738126641 /nfs/dbraw/zinc/12/66/41/738126641.db2.gz AKVLGERAQSPZQK-IAGOWNOFSA-N 1 2 356.447 2.867 20 30 FFEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](CC#N)C(F)(F)F)cn2c1 ZINC000928810462 738912492 /nfs/dbraw/zinc/91/24/92/738912492.db2.gz NPMATULGENQGJY-LBPRGKRZSA-N 1 2 356.373 2.837 20 30 FFEDLO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ncc(Br)cn1 ZINC000931867644 739344240 /nfs/dbraw/zinc/34/42/40/739344240.db2.gz PDWRNROZZHLJJG-UHFFFAOYSA-N 1 2 374.242 2.571 20 30 FFEDLO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ncc(Br)cn1 ZINC000931867644 739344244 /nfs/dbraw/zinc/34/42/44/739344244.db2.gz PDWRNROZZHLJJG-UHFFFAOYSA-N 1 2 374.242 2.571 20 30 FFEDLO Cc1nc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)no1 ZINC000931944271 739357372 /nfs/dbraw/zinc/35/73/72/739357372.db2.gz NNAMHXFGSNRAHV-ZWNOBZJWSA-N 1 2 359.817 2.720 20 30 FFEDLO Cc1nc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)no1 ZINC000931944271 739357378 /nfs/dbraw/zinc/35/73/78/739357378.db2.gz NNAMHXFGSNRAHV-ZWNOBZJWSA-N 1 2 359.817 2.720 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCc2c([nH+]cn2CC)C1 ZINC000933257156 739589739 /nfs/dbraw/zinc/58/97/39/739589739.db2.gz BQIZQWUVFIGTPX-OAHLLOKOSA-N 1 2 358.511 2.926 20 30 FFEDLO C[C@@H](C#N)OCC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000801910684 740662662 /nfs/dbraw/zinc/66/26/62/740662662.db2.gz PLWSAAKMHWRGOA-NSHDSACASA-N 1 2 362.783 2.804 20 30 FFEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000801915164 740663295 /nfs/dbraw/zinc/66/32/95/740663295.db2.gz OGCZMNYRYHZEJU-LBPRGKRZSA-N 1 2 356.253 2.680 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC000970569856 740752576 /nfs/dbraw/zinc/75/25/76/740752576.db2.gz CONXIQCNAVFHMN-OWQGQXMQSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@@H](C)c2csnn2)CC1 ZINC000985695532 741423390 /nfs/dbraw/zinc/42/33/90/741423390.db2.gz XXTGXEULBINSRS-QRTARXTBSA-N 1 2 364.515 2.503 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@H+](C)[C@@H](C)c2csnn2)CC1 ZINC000985695532 741423392 /nfs/dbraw/zinc/42/33/92/741423392.db2.gz XXTGXEULBINSRS-QRTARXTBSA-N 1 2 364.515 2.503 20 30 FFEDLO C#C[C@@H](C)N(C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000812196168 741595063 /nfs/dbraw/zinc/59/50/63/741595063.db2.gz JSOVNWUVJPBXNF-GFCCVEGCSA-N 1 2 363.259 2.611 20 30 FFEDLO CN(C)c1ccc(C=[NH+]Nc2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000812230686 741598645 /nfs/dbraw/zinc/59/86/45/741598645.db2.gz FVTTUQAPCBFESD-UHFFFAOYSA-N 1 2 352.485 2.510 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001006017358 742272679 /nfs/dbraw/zinc/27/26/79/742272679.db2.gz YBYJTSVFFILEPQ-CABCVRRESA-N 1 2 369.918 2.810 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001007362154 742327058 /nfs/dbraw/zinc/32/70/58/742327058.db2.gz ZZUXULNUYWTDAS-JZXOWHBKSA-N 1 2 363.527 2.822 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2nc(C)sc2C)C1 ZINC001007362154 742327063 /nfs/dbraw/zinc/32/70/63/742327063.db2.gz ZZUXULNUYWTDAS-JZXOWHBKSA-N 1 2 363.527 2.822 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1csc(C2CC2)n1 ZINC001028141270 742785992 /nfs/dbraw/zinc/78/59/92/742785992.db2.gz ARTOCNARELCSEL-BBWFWOEESA-N 1 2 361.511 2.692 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1csc(C2CC2)n1 ZINC001028141270 742785995 /nfs/dbraw/zinc/78/59/95/742785995.db2.gz ARTOCNARELCSEL-BBWFWOEESA-N 1 2 361.511 2.692 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC001031990376 742854310 /nfs/dbraw/zinc/85/43/10/742854310.db2.gz ZHCDXZQISMDVFG-PNPHSEOMSA-N 1 2 350.409 2.665 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001033445077 742893200 /nfs/dbraw/zinc/89/32/00/742893200.db2.gz XLUALQWQNGIVMM-HRCADAONSA-N 1 2 364.287 2.626 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001033445077 742893210 /nfs/dbraw/zinc/89/32/10/742893210.db2.gz XLUALQWQNGIVMM-HRCADAONSA-N 1 2 364.287 2.626 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001033955370 742907576 /nfs/dbraw/zinc/90/75/76/742907576.db2.gz ZQNJJOPJOLACOO-ZACQAIPSSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001033955370 742907582 /nfs/dbraw/zinc/90/75/82/742907582.db2.gz ZQNJJOPJOLACOO-ZACQAIPSSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2csc(C)n2)C1 ZINC001034440895 742927315 /nfs/dbraw/zinc/92/73/15/742927315.db2.gz ZWOQQDPAWFQOAK-SZMVWBNQSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2csc(C)n2)C1 ZINC001034440895 742927320 /nfs/dbraw/zinc/92/73/20/742927320.db2.gz ZWOQQDPAWFQOAK-SZMVWBNQSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001034443587 742927372 /nfs/dbraw/zinc/92/73/72/742927372.db2.gz XTTHBPMOWQXODI-JYJNAYRXSA-N 1 2 371.319 2.847 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001034443587 742927375 /nfs/dbraw/zinc/92/73/75/742927375.db2.gz XTTHBPMOWQXODI-JYJNAYRXSA-N 1 2 371.319 2.847 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C2 ZINC001045945371 743309165 /nfs/dbraw/zinc/30/91/65/743309165.db2.gz RZLCSYTXYKJOEP-GPMSIDNRSA-N 1 2 362.905 2.970 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C2 ZINC001045945371 743309173 /nfs/dbraw/zinc/30/91/73/743309173.db2.gz RZLCSYTXYKJOEP-GPMSIDNRSA-N 1 2 362.905 2.970 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(=C)Cl)CCC1(F)F ZINC001046980263 743346994 /nfs/dbraw/zinc/34/69/94/743346994.db2.gz KAVUAGPLIALJDD-ILXRZTDVSA-N 1 2 362.848 2.794 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=C)Cl)CCC1(F)F ZINC001046980263 743347000 /nfs/dbraw/zinc/34/70/00/743347000.db2.gz KAVUAGPLIALJDD-ILXRZTDVSA-N 1 2 362.848 2.794 20 30 FFEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)CCO2 ZINC001053394136 744979279 /nfs/dbraw/zinc/97/92/79/744979279.db2.gz SINBEASOOUVCHD-ZIAGYGMSSA-N 1 2 366.914 2.994 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000827798211 744980188 /nfs/dbraw/zinc/98/01/88/744980188.db2.gz NMDWHLLIUFSBBB-CSMYWGQOSA-N 1 2 352.837 2.769 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000827798211 744980191 /nfs/dbraw/zinc/98/01/91/744980191.db2.gz NMDWHLLIUFSBBB-CSMYWGQOSA-N 1 2 352.837 2.769 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 ZINC000839095369 746773643 /nfs/dbraw/zinc/77/36/43/746773643.db2.gz HHKHMMJGXUCJTM-AWEZNQCLSA-N 1 2 355.870 2.692 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 ZINC000839095369 746773645 /nfs/dbraw/zinc/77/36/45/746773645.db2.gz HHKHMMJGXUCJTM-AWEZNQCLSA-N 1 2 355.870 2.692 20 30 FFEDLO COc1ccc(Br)c(N[NH+]=Cc2cnc(N(C)C)n2C)c1 ZINC000841658043 747425866 /nfs/dbraw/zinc/42/58/66/747425866.db2.gz SEGAEGDDQXOUMM-UHFFFAOYSA-N 1 2 352.236 2.703 20 30 FFEDLO CC(C)OC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C)CCC#N)c(Cl)c1 ZINC000844955327 748145271 /nfs/dbraw/zinc/14/52/71/748145271.db2.gz ZPGYIFYJAIPAPG-CQSZACIVSA-N 1 2 369.849 2.882 20 30 FFEDLO CC(C)OC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)c(Cl)c1 ZINC000844955327 748145273 /nfs/dbraw/zinc/14/52/73/748145273.db2.gz ZPGYIFYJAIPAPG-CQSZACIVSA-N 1 2 369.849 2.882 20 30 FFEDLO C=C(C)CONC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000845603351 748290524 /nfs/dbraw/zinc/29/05/24/748290524.db2.gz JFLALNQQDIHFPE-CVEARBPZSA-N 1 2 353.850 2.519 20 30 FFEDLO C=C(C)CONC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000845603351 748290528 /nfs/dbraw/zinc/29/05/28/748290528.db2.gz JFLALNQQDIHFPE-CVEARBPZSA-N 1 2 353.850 2.519 20 30 FFEDLO C#C[C@H]1CCCN(c2nc(N3CCC[C@H](C#C)C3)c3c([nH+]2)CCS3)C1 ZINC000848751903 749000276 /nfs/dbraw/zinc/00/02/76/749000276.db2.gz VXDQHPUTPQIYBG-HOTGVXAUSA-N 1 2 352.507 2.824 20 30 FFEDLO C[NH+]1CCN(c2ccc(Nc3cc(C#N)cnn3)cc2Br)CC1 ZINC000853526059 750083745 /nfs/dbraw/zinc/08/37/45/750083745.db2.gz VECLJRXAKIWKMH-UHFFFAOYSA-N 1 2 373.258 2.606 20 30 FFEDLO Cc1c(C(=O)C=Cc2c[nH+]c3c(C)cccn23)c(-c2nn[nH]n2)c2n1CCC2 ZINC000737432823 945066084 /nfs/dbraw/zinc/06/60/84/945066084.db2.gz CPOHKSVFFRYHQZ-FPLPWBNLSA-N 1 2 373.420 2.775 20 30 FFEDLO C[C@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@H+](Cc3cccc(C#N)n3)C2)O1 ZINC000895679094 970830335 /nfs/dbraw/zinc/83/03/35/970830335.db2.gz DXUQYBDKIOUSFT-AVRDEDQJSA-N 1 2 362.477 2.819 20 30 FFEDLO C[C@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@@H+](Cc3cccc(C#N)n3)C2)O1 ZINC000895679094 970830344 /nfs/dbraw/zinc/83/03/44/970830344.db2.gz DXUQYBDKIOUSFT-AVRDEDQJSA-N 1 2 362.477 2.819 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3csnn3)CC[C@@H]2C1 ZINC001087992752 971735941 /nfs/dbraw/zinc/73/59/41/971735941.db2.gz KBXOKCWQGSNRSY-OAGGEKHMSA-N 1 2 371.510 2.681 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3csnn3)CC[C@@H]2C1 ZINC001087992752 971735944 /nfs/dbraw/zinc/73/59/44/971735944.db2.gz KBXOKCWQGSNRSY-OAGGEKHMSA-N 1 2 371.510 2.681 20 30 FFEDLO CC[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(OC)c1OC ZINC000871919312 1013113788 /nfs/dbraw/zinc/11/37/88/1013113788.db2.gz KYIDUMQCUJNTPT-AEFFLSMTSA-N 1 2 353.422 2.843 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](CCc2cccc(Br)c2)CC1 ZINC001207510406 971910596 /nfs/dbraw/zinc/91/05/96/971910596.db2.gz IVCDADSWSLRAJN-UHFFFAOYSA-N 1 2 351.244 2.770 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2noc(CC)n2)C1 ZINC001104236379 960240650 /nfs/dbraw/zinc/24/06/50/960240650.db2.gz XIFLGUBOQPHDOR-TZMCWYRMSA-N 1 2 368.909 2.985 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CCCCO2)C3)c1 ZINC001095300223 1013210515 /nfs/dbraw/zinc/21/05/15/1013210515.db2.gz DMBQKNFUQQKVSB-UMGGQSCQSA-N 1 2 371.456 2.878 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CCCCO2)C3)c1 ZINC001095300223 1013210521 /nfs/dbraw/zinc/21/05/21/1013210521.db2.gz DMBQKNFUQQKVSB-UMGGQSCQSA-N 1 2 371.456 2.878 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)NCC(C)C)CC2)c1C ZINC000890933291 961058966 /nfs/dbraw/zinc/05/89/66/961058966.db2.gz NDTWWGKZAPZAJF-UHFFFAOYSA-N 1 2 359.514 2.958 20 30 FFEDLO C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3noc(C4CC4)n3)C2)CCC1 ZINC001104279659 961433831 /nfs/dbraw/zinc/43/38/31/961433831.db2.gz JKCHNCCMYKCNDA-NVXWUHKLSA-N 1 2 370.497 2.715 20 30 FFEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N[C@](C)(C(N)=O)C(C)C)[nH+]1 ZINC001167411138 962858076 /nfs/dbraw/zinc/85/80/76/962858076.db2.gz NWPAIGRQLSDFDT-OUVGQLQLSA-N 1 2 352.504 2.583 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110183161 1013418930 /nfs/dbraw/zinc/41/89/30/1013418930.db2.gz LWXBALZHXJUEEA-BIGGFVEDSA-N 1 2 357.429 2.510 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110183161 1013418938 /nfs/dbraw/zinc/41/89/38/1013418938.db2.gz LWXBALZHXJUEEA-BIGGFVEDSA-N 1 2 357.429 2.510 20 30 FFEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000126215951 963515515 /nfs/dbraw/zinc/51/55/15/963515515.db2.gz DYRNJKGGOYLSBJ-UHFFFAOYSA-N 1 2 352.438 2.607 20 30 FFEDLO CC(C)(CNC(=O)N1CCC(c2ccc(C#N)cc2)CC1)[NH+]1CCOCC1 ZINC000891512447 964408413 /nfs/dbraw/zinc/40/84/13/964408413.db2.gz OYINTVVHMXZHCP-UHFFFAOYSA-N 1 2 370.497 2.558 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(Cc2cccc(F)c2)CC1=O ZINC000121466232 964421257 /nfs/dbraw/zinc/42/12/57/964421257.db2.gz SFDVJVMAPFQKAQ-UHFFFAOYSA-N 1 2 350.397 2.985 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(OC)no2)CCCCC1 ZINC001111483670 964963181 /nfs/dbraw/zinc/96/31/81/964963181.db2.gz KPOLTEDZHJANNI-NXHRZFHOSA-N 1 2 371.481 2.879 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(OC)no2)CCCCC1 ZINC001111483670 964963197 /nfs/dbraw/zinc/96/31/97/964963197.db2.gz KPOLTEDZHJANNI-NXHRZFHOSA-N 1 2 371.481 2.879 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1CC)C1CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC001270345927 964978172 /nfs/dbraw/zinc/97/81/72/964978172.db2.gz TWRSEBBRCZYHIY-HDMKZQKVSA-N 1 2 370.497 2.980 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccccc1Cl)C[C@H](O)COc1ccc(C#N)cc1 ZINC000017741660 965172949 /nfs/dbraw/zinc/17/29/49/965172949.db2.gz CIUNOVJOJBPACL-HNNXBMFYSA-N 1 2 373.840 2.522 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccccc1Cl)C[C@H](O)COc1ccc(C#N)cc1 ZINC000017741660 965172954 /nfs/dbraw/zinc/17/29/54/965172954.db2.gz CIUNOVJOJBPACL-HNNXBMFYSA-N 1 2 373.840 2.522 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001111490255 965360807 /nfs/dbraw/zinc/36/08/07/965360807.db2.gz ZFNKFTIRMVYGMC-QVSURHGTSA-N 1 2 357.429 2.510 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001111490255 965360818 /nfs/dbraw/zinc/36/08/18/965360818.db2.gz ZFNKFTIRMVYGMC-QVSURHGTSA-N 1 2 357.429 2.510 20 30 FFEDLO Cc1ccc([C@H](CNc2ccc(C#N)cc2CO)[NH+]2CCOCC2)cc1 ZINC000891913596 965389326 /nfs/dbraw/zinc/38/93/26/965389326.db2.gz ZRLMACUCXVUJIU-NRFANRHFSA-N 1 2 351.450 2.844 20 30 FFEDLO O=C(CC1CCCC1)NC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000329006056 965461676 /nfs/dbraw/zinc/46/16/76/965461676.db2.gz XRDSMHZRXNLTLO-MRXNPFEDSA-N 1 2 358.486 2.973 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2scnc2C)C1 ZINC001087473140 965483532 /nfs/dbraw/zinc/48/35/32/965483532.db2.gz PBOAPQCMOMXFGH-ROUUACIJSA-N 1 2 369.490 2.681 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2scnc2C)C1 ZINC001087473140 965483535 /nfs/dbraw/zinc/48/35/35/965483535.db2.gz PBOAPQCMOMXFGH-ROUUACIJSA-N 1 2 369.490 2.681 20 30 FFEDLO C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2ccns2)C1 ZINC001087474707 965554051 /nfs/dbraw/zinc/55/40/51/965554051.db2.gz UOEWULKQXGHHOK-IRXDYDNUSA-N 1 2 357.479 2.926 20 30 FFEDLO C=CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2ccns2)C1 ZINC001087474707 965554062 /nfs/dbraw/zinc/55/40/62/965554062.db2.gz UOEWULKQXGHHOK-IRXDYDNUSA-N 1 2 357.479 2.926 20 30 FFEDLO CC#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2nccs2)C1 ZINC001087476556 965648152 /nfs/dbraw/zinc/64/81/52/965648152.db2.gz UHPIQCBYQJAKHH-ROUUACIJSA-N 1 2 369.490 2.763 20 30 FFEDLO CC#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2nccs2)C1 ZINC001087476556 965648159 /nfs/dbraw/zinc/64/81/59/965648159.db2.gz UHPIQCBYQJAKHH-ROUUACIJSA-N 1 2 369.490 2.763 20 30 FFEDLO CC[C@@H](CO)Nc1cc(NC2CCN(c3ccccc3C#N)CC2)[nH+]cn1 ZINC000894925522 967106487 /nfs/dbraw/zinc/10/64/87/967106487.db2.gz MREDOKODRPHHGH-INIZCTEOSA-N 1 2 366.469 2.612 20 30 FFEDLO CC[C@@H](CO)Nc1cc(NC2CCN(c3ccccc3C#N)CC2)nc[nH+]1 ZINC000894925522 967106490 /nfs/dbraw/zinc/10/64/90/967106490.db2.gz MREDOKODRPHHGH-INIZCTEOSA-N 1 2 366.469 2.612 20 30 FFEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3F)C2)C1 ZINC000972480950 967257816 /nfs/dbraw/zinc/25/78/16/967257816.db2.gz WOZYUWNJRHOVDU-QKLQHJQFSA-N 1 2 362.420 2.558 20 30 FFEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3F)C2)C1 ZINC000972480950 967257830 /nfs/dbraw/zinc/25/78/30/967257830.db2.gz WOZYUWNJRHOVDU-QKLQHJQFSA-N 1 2 362.420 2.558 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)COc2ccc(C)cc2C)c1 ZINC000052130752 967282013 /nfs/dbraw/zinc/28/20/13/967282013.db2.gz JVZGLNLPCYGWNE-FQEVSTJZSA-N 1 2 366.461 2.595 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)COc2ccc(C)cc2C)c1 ZINC000052130752 967282018 /nfs/dbraw/zinc/28/20/18/967282018.db2.gz JVZGLNLPCYGWNE-FQEVSTJZSA-N 1 2 366.461 2.595 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2C1 ZINC001083256262 967359200 /nfs/dbraw/zinc/35/92/00/967359200.db2.gz OQXAJUIKDYXGGL-JKSUJKDBSA-N 1 2 353.249 2.542 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2C1 ZINC001083256262 967359209 /nfs/dbraw/zinc/35/92/09/967359209.db2.gz OQXAJUIKDYXGGL-JKSUJKDBSA-N 1 2 353.249 2.542 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(Cl)cc3Cl)[C@H]2C1 ZINC001083256365 967360085 /nfs/dbraw/zinc/36/00/85/967360085.db2.gz UBRYIDHCWJUNHN-JKSUJKDBSA-N 1 2 353.249 2.542 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(Cl)cc3Cl)[C@H]2C1 ZINC001083256365 967360093 /nfs/dbraw/zinc/36/00/93/967360093.db2.gz UBRYIDHCWJUNHN-JKSUJKDBSA-N 1 2 353.249 2.542 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001111491296 967361946 /nfs/dbraw/zinc/36/19/46/967361946.db2.gz WJIDUHNQZGYLOS-AZFSHXRASA-N 1 2 357.429 2.510 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001111491296 967361955 /nfs/dbraw/zinc/36/19/55/967361955.db2.gz WJIDUHNQZGYLOS-AZFSHXRASA-N 1 2 357.429 2.510 20 30 FFEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000156571469 967511999 /nfs/dbraw/zinc/51/19/99/967511999.db2.gz ZMBHIYGTIHBOOM-UHFFFAOYSA-N 1 2 366.465 2.652 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cncs2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001087513417 967540385 /nfs/dbraw/zinc/54/03/85/967540385.db2.gz RKYWTOSLKYEBEW-JKSUJKDBSA-N 1 2 358.442 2.937 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cncs2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001087513417 967540390 /nfs/dbraw/zinc/54/03/90/967540390.db2.gz RKYWTOSLKYEBEW-JKSUJKDBSA-N 1 2 358.442 2.937 20 30 FFEDLO COc1ccc(C[N@H+](C)Cc2nc3ccccc3c(=O)n2CC#N)cc1C ZINC000728571986 967629508 /nfs/dbraw/zinc/62/95/08/967629508.db2.gz RWJZKPCLFIRDHA-UHFFFAOYSA-N 1 2 362.433 2.869 20 30 FFEDLO COc1ccc(C[N@@H+](C)Cc2nc3ccccc3c(=O)n2CC#N)cc1C ZINC000728571986 967629514 /nfs/dbraw/zinc/62/95/14/967629514.db2.gz RWJZKPCLFIRDHA-UHFFFAOYSA-N 1 2 362.433 2.869 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2n[nH]c(C)c2C)[C@H]1CC ZINC001087525117 967659939 /nfs/dbraw/zinc/65/99/39/967659939.db2.gz FSRUMCSPSWYSPF-QWHCGFSZSA-N 1 2 355.280 2.518 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]c(C)c2C)[C@H]1CC ZINC001087525117 967659942 /nfs/dbraw/zinc/65/99/42/967659942.db2.gz FSRUMCSPSWYSPF-QWHCGFSZSA-N 1 2 355.280 2.518 20 30 FFEDLO C[C@H](CNC(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1)[NH+]1CCOCC1 ZINC000329455774 967727761 /nfs/dbraw/zinc/72/77/61/967727761.db2.gz PYARYBHGYKBQEE-BEFAXECRSA-N 1 2 361.461 2.986 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1ncc(C(C)C)o1 ZINC001087545474 968019156 /nfs/dbraw/zinc/01/91/56/968019156.db2.gz LOXNHPDKZRZGFP-GOEBONIOSA-N 1 2 355.442 2.781 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1ncc(C(C)C)o1 ZINC001087545474 968019165 /nfs/dbraw/zinc/01/91/65/968019165.db2.gz LOXNHPDKZRZGFP-GOEBONIOSA-N 1 2 355.442 2.781 20 30 FFEDLO CCOC(=O)[C@H]1CCCc2sc(NC(=O)Cc3c[nH]c[nH+]3)c(C#N)c21 ZINC001176827781 1013782627 /nfs/dbraw/zinc/78/26/27/1013782627.db2.gz PSQROIXDBHLJIP-NSHDSACASA-N 1 2 358.423 2.507 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(OC)ns2)CC[N@@H+]1Cc1ccccc1C#N ZINC001087576351 968223591 /nfs/dbraw/zinc/22/35/91/968223591.db2.gz CBEHGYSSGZWQGZ-JKSUJKDBSA-N 1 2 370.478 2.806 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(OC)ns2)CC[N@H+]1Cc1ccccc1C#N ZINC001087576351 968223600 /nfs/dbraw/zinc/22/36/00/968223600.db2.gz CBEHGYSSGZWQGZ-JKSUJKDBSA-N 1 2 370.478 2.806 20 30 FFEDLO C=CCCC1(CNC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCC1 ZINC000658502113 968763941 /nfs/dbraw/zinc/76/39/41/968763941.db2.gz PQVGFSXKLKQJHY-INIZCTEOSA-N 1 2 358.486 2.759 20 30 FFEDLO C=CCCC1(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CCCC1 ZINC000658701848 969008795 /nfs/dbraw/zinc/00/87/95/969008795.db2.gz HDHJQECCTXUFBR-MSOLQXFVSA-N 1 2 372.513 2.935 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2F)O1 ZINC001024659533 969239314 /nfs/dbraw/zinc/23/93/14/969239314.db2.gz DZUWSVJFEXFRQB-LSBZLQRGSA-N 1 2 359.445 2.736 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2F)O1 ZINC001024659533 969239321 /nfs/dbraw/zinc/23/93/21/969239321.db2.gz DZUWSVJFEXFRQB-LSBZLQRGSA-N 1 2 359.445 2.736 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1coc(C)n1 ZINC001024700829 969263361 /nfs/dbraw/zinc/26/33/61/969263361.db2.gz HAXHFWGLTFFKEK-QYZOEREBSA-N 1 2 361.486 2.825 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1coc(C)n1 ZINC001024700829 969263367 /nfs/dbraw/zinc/26/33/67/969263367.db2.gz HAXHFWGLTFFKEK-QYZOEREBSA-N 1 2 361.486 2.825 20 30 FFEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3cccc(S(=O)(=O)N(C)C)c3)n2c1 ZINC000255904701 969593229 /nfs/dbraw/zinc/59/32/29/969593229.db2.gz ITMRVDRPXQGSEM-HJWRWDBZSA-N 1 2 369.446 2.789 20 30 FFEDLO C=CCNS(=O)(=O)c1ccccc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895346573 970434063 /nfs/dbraw/zinc/43/40/63/970434063.db2.gz JGHJCWYLQKMZHW-UHFFFAOYSA-N 1 2 372.494 2.627 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)oc3C)[C@@H]2C1 ZINC001075538244 970554407 /nfs/dbraw/zinc/55/44/07/970554407.db2.gz JVGNGHXNTNQWNK-DZGCQCFKSA-N 1 2 353.260 2.951 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)oc3C)[C@@H]2C1 ZINC001075538244 970554414 /nfs/dbraw/zinc/55/44/14/970554414.db2.gz JVGNGHXNTNQWNK-DZGCQCFKSA-N 1 2 353.260 2.951 20 30 FFEDLO CC[C@@H]1C[N@H+](CC(=O)NCCc2c(F)cccc2F)C[C@]2(CCOC2)O1 ZINC000330147127 970563186 /nfs/dbraw/zinc/56/31/86/970563186.db2.gz ILHKMPDZFANSTD-KUHUBIRLSA-N 1 2 368.424 2.734 20 30 FFEDLO CC[C@@H]1C[N@@H+](CC(=O)NCCc2c(F)cccc2F)C[C@]2(CCOC2)O1 ZINC000330147127 970563195 /nfs/dbraw/zinc/56/31/95/970563195.db2.gz ILHKMPDZFANSTD-KUHUBIRLSA-N 1 2 368.424 2.734 20 30 FFEDLO COc1ccc(CN(C(=O)CO[NH+]=C(N)c2ccccc2)C2CC2)cc1 ZINC000177526652 970580236 /nfs/dbraw/zinc/58/02/36/970580236.db2.gz DIZMLOHDJAGZPG-UHFFFAOYSA-N 1 2 353.422 2.523 20 30 FFEDLO CC1(C)C[N@@H+](C2CN(Cc3ccc(Br)cc3C#N)C2)CCO1 ZINC001141814472 970689838 /nfs/dbraw/zinc/68/98/38/970689838.db2.gz GFHHEJGLLRFPDJ-UHFFFAOYSA-N 1 2 364.287 2.616 20 30 FFEDLO CC1(C)C[N@H+](C2CN(Cc3ccc(Br)cc3C#N)C2)CCO1 ZINC001141814472 970689842 /nfs/dbraw/zinc/68/98/42/970689842.db2.gz GFHHEJGLLRFPDJ-UHFFFAOYSA-N 1 2 364.287 2.616 20 30 FFEDLO C=C1CCC(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000975356826 972620402 /nfs/dbraw/zinc/62/04/02/972620402.db2.gz WWQVIQCQZIMXDU-CGTJXYLNSA-N 1 2 370.497 2.614 20 30 FFEDLO C=C1CCC(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000975356826 972620411 /nfs/dbraw/zinc/62/04/11/972620411.db2.gz WWQVIQCQZIMXDU-CGTJXYLNSA-N 1 2 370.497 2.614 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000875918578 1014095576 /nfs/dbraw/zinc/09/55/76/1014095576.db2.gz TZWQNYKMDUYJOI-MISYRCLQSA-N 1 2 366.465 2.839 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C)no3)CC[C@@H]2C1)c1ccccc1 ZINC001088209754 973679188 /nfs/dbraw/zinc/67/91/88/973679188.db2.gz KKAJJCFVLQUYPV-CEXWTWQISA-N 1 2 366.465 2.628 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C)no3)CC[C@@H]2C1)c1ccccc1 ZINC001088209754 973679193 /nfs/dbraw/zinc/67/91/93/973679193.db2.gz KKAJJCFVLQUYPV-CEXWTWQISA-N 1 2 366.465 2.628 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1)[C@@H](C)COC ZINC000661243302 973980262 /nfs/dbraw/zinc/98/02/62/973980262.db2.gz IWXLZTLDPDZLDD-KRWDZBQOSA-N 1 2 356.470 2.951 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1)[C@@H](C)COC ZINC000661243302 973980273 /nfs/dbraw/zinc/98/02/73/973980273.db2.gz IWXLZTLDPDZLDD-KRWDZBQOSA-N 1 2 356.470 2.951 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000125452675 974251003 /nfs/dbraw/zinc/25/10/03/974251003.db2.gz SUDNPEAFFGZLEQ-AWEZNQCLSA-N 1 2 373.428 2.885 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2c(C)nc(CC)nc2C)[C@H]1C ZINC001088757137 975909743 /nfs/dbraw/zinc/90/97/43/975909743.db2.gz KFSDDZUBWRUODN-ZBFHGGJFSA-N 1 2 350.894 2.530 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2c(C)nc(CC)nc2C)[C@H]1C ZINC001088757137 975909757 /nfs/dbraw/zinc/90/97/57/975909757.db2.gz KFSDDZUBWRUODN-ZBFHGGJFSA-N 1 2 350.894 2.530 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC000981652693 976673853 /nfs/dbraw/zinc/67/38/53/976673853.db2.gz AMRIAUPVCUCKBA-WIYYLYMNSA-N 1 2 353.466 2.791 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CCCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC000981652693 976673857 /nfs/dbraw/zinc/67/38/57/976673857.db2.gz AMRIAUPVCUCKBA-WIYYLYMNSA-N 1 2 353.466 2.791 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001087435056 976907211 /nfs/dbraw/zinc/90/72/11/976907211.db2.gz UUTMWCNMBGOYGN-FQBWVUSXSA-N 1 2 360.885 2.606 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001087435056 976907218 /nfs/dbraw/zinc/90/72/18/976907218.db2.gz UUTMWCNMBGOYGN-FQBWVUSXSA-N 1 2 360.885 2.606 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC001028197276 977109755 /nfs/dbraw/zinc/10/97/55/977109755.db2.gz DDDLFWBWYMHMSG-GJYPPUQNSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ncc(C2CC2)o1 ZINC001028197276 977109757 /nfs/dbraw/zinc/10/97/57/977109757.db2.gz DDDLFWBWYMHMSG-GJYPPUQNSA-N 1 2 359.470 2.614 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(C(=O)Nc3ccccc3OC)CC2)nn1 ZINC000653572992 1014379088 /nfs/dbraw/zinc/37/90/88/1014379088.db2.gz MRIDOMJTNPHLIQ-UHFFFAOYSA-N 1 2 369.469 2.714 20 30 FFEDLO CC(C)CCc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)cs1 ZINC001075616153 977316789 /nfs/dbraw/zinc/31/67/89/977316789.db2.gz LBPMBYLTMJELIF-HLLBOEOZSA-N 1 2 360.527 2.924 20 30 FFEDLO CC(C)CCc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)cs1 ZINC001075616153 977316794 /nfs/dbraw/zinc/31/67/94/977316794.db2.gz LBPMBYLTMJELIF-HLLBOEOZSA-N 1 2 360.527 2.924 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)CC3CCOCC3)[C@@H]2C1 ZINC001075630498 977507936 /nfs/dbraw/zinc/50/79/36/977507936.db2.gz MWIODSWHQXRYCO-FXAWDEMLSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)CC3CCOCC3)[C@@H]2C1 ZINC001075630498 977507940 /nfs/dbraw/zinc/50/79/40/977507940.db2.gz MWIODSWHQXRYCO-FXAWDEMLSA-N 1 2 371.456 2.547 20 30 FFEDLO CCOC(=O)Cn1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)c(-c2cccnc2)n1 ZINC000894085919 977654342 /nfs/dbraw/zinc/65/43/42/977654342.db2.gz WPNSUJWNYUSDHQ-HNNXBMFYSA-N 1 2 367.453 2.632 20 30 FFEDLO CCOC(=O)Cn1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c(-c2cccnc2)n1 ZINC000894085919 977654348 /nfs/dbraw/zinc/65/43/48/977654348.db2.gz WPNSUJWNYUSDHQ-HNNXBMFYSA-N 1 2 367.453 2.632 20 30 FFEDLO C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001087453401 977760641 /nfs/dbraw/zinc/76/06/41/977760641.db2.gz RDSZQYIFQSEIRW-RTBURBONSA-N 1 2 368.456 2.777 20 30 FFEDLO CC(C)(C)c1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)no1 ZINC001075658469 978149567 /nfs/dbraw/zinc/14/95/67/978149567.db2.gz DNPSUJYZHGRQDR-WMLDXEAASA-N 1 2 367.453 2.518 20 30 FFEDLO CC(C)(C)c1cc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)no1 ZINC001075658469 978149569 /nfs/dbraw/zinc/14/95/69/978149569.db2.gz DNPSUJYZHGRQDR-WMLDXEAASA-N 1 2 367.453 2.518 20 30 FFEDLO N#CCOc1ccc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)cc1 ZINC001137115233 1014465802 /nfs/dbraw/zinc/46/58/02/1014465802.db2.gz DKCLAGIRGJJRFR-PCCBWWKXSA-N 1 2 365.433 2.795 20 30 FFEDLO N#CCOc1ccc(C[N@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)cc1 ZINC001137115233 1014465807 /nfs/dbraw/zinc/46/58/07/1014465807.db2.gz DKCLAGIRGJJRFR-PCCBWWKXSA-N 1 2 365.433 2.795 20 30 FFEDLO Cc1coc(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)c1 ZINC001076155255 979159323 /nfs/dbraw/zinc/15/93/23/979159323.db2.gz XUCJALBBISDXGY-MAUKXSAKSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1coc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)c1 ZINC001076155255 979159328 /nfs/dbraw/zinc/15/93/28/979159328.db2.gz XUCJALBBISDXGY-MAUKXSAKSA-N 1 2 353.397 2.945 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4noc5c4COCC5)C[C@H]32)CC1 ZINC001076208708 979226023 /nfs/dbraw/zinc/22/60/23/979226023.db2.gz HBVHGJMPSDJQSY-QFBILLFUSA-N 1 2 371.481 2.526 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4noc5c4COCC5)C[C@H]32)CC1 ZINC001076208708 979226028 /nfs/dbraw/zinc/22/60/28/979226028.db2.gz HBVHGJMPSDJQSY-QFBILLFUSA-N 1 2 371.481 2.526 20 30 FFEDLO Cc1c(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(F)ccc4C#N)C[C@H]32)ccn1C ZINC001076217176 979229747 /nfs/dbraw/zinc/22/97/47/979229747.db2.gz HTIDDLHQLQOLNA-OXJNMPFZSA-N 1 2 366.440 2.691 20 30 FFEDLO Cc1c(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(F)ccc4C#N)C[C@H]32)ccn1C ZINC001076217176 979229755 /nfs/dbraw/zinc/22/97/55/979229755.db2.gz HTIDDLHQLQOLNA-OXJNMPFZSA-N 1 2 366.440 2.691 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](OC)C3CCCC3)[C@@H]2C1 ZINC001076508451 979587718 /nfs/dbraw/zinc/58/77/18/979587718.db2.gz WWWIBVKQPDXLSE-ARFHVFGLSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](OC)C3CCCC3)[C@@H]2C1 ZINC001076508451 979587722 /nfs/dbraw/zinc/58/77/22/979587722.db2.gz WWWIBVKQPDXLSE-ARFHVFGLSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3-c3ccccc3)[C@@H]2C)C1 ZINC001088844367 979653552 /nfs/dbraw/zinc/65/35/52/979653552.db2.gz NXNMAXXUHVTDEL-APWZRJJASA-N 1 2 365.481 2.703 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3-c3ccccc3)[C@@H]2C)C1 ZINC001088844367 979653556 /nfs/dbraw/zinc/65/35/56/979653556.db2.gz NXNMAXXUHVTDEL-APWZRJJASA-N 1 2 365.481 2.703 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnc(OC)c(Cl)c3)[C@@H]2C1 ZINC001076596168 979692849 /nfs/dbraw/zinc/69/28/49/979692849.db2.gz CQQWMMTURIVQEG-SMDDNHRTSA-N 1 2 356.253 2.642 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc(OC)c(Cl)c3)[C@@H]2C1 ZINC001076596168 979692853 /nfs/dbraw/zinc/69/28/53/979692853.db2.gz CQQWMMTURIVQEG-SMDDNHRTSA-N 1 2 356.253 2.642 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCCO2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088479034 979789815 /nfs/dbraw/zinc/78/98/15/979789815.db2.gz BTJSNMAJISLFTN-AYBZRNKSSA-N 1 2 360.885 2.840 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCCO2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088479034 979789818 /nfs/dbraw/zinc/78/98/18/979789818.db2.gz BTJSNMAJISLFTN-AYBZRNKSSA-N 1 2 360.885 2.840 20 30 FFEDLO CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(C#N)cnc3Cl)CC2)c1 ZINC000877559966 1014627079 /nfs/dbraw/zinc/62/70/79/1014627079.db2.gz BOUVFDJMFAFWHA-UHFFFAOYSA-N 1 2 373.844 2.817 20 30 FFEDLO Cc1cc(C)c(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)[nH+]1 ZINC000907270302 981217714 /nfs/dbraw/zinc/21/77/14/981217714.db2.gz NWXDITVSWLBIFT-SFHVURJKSA-N 1 2 362.433 2.804 20 30 FFEDLO CC(C)n1nccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088592091 981343923 /nfs/dbraw/zinc/34/39/23/981343923.db2.gz ODJXMPYFODNJHF-KDOFPFPSSA-N 1 2 369.444 2.868 20 30 FFEDLO CC(C)n1nccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088592091 981343928 /nfs/dbraw/zinc/34/39/28/981343928.db2.gz ODJXMPYFODNJHF-KDOFPFPSSA-N 1 2 369.444 2.868 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(Cl)c2)C[C@H]1OC ZINC001211999151 981429604 /nfs/dbraw/zinc/42/96/04/981429604.db2.gz ACHHPNYPXDVFBP-NVXWUHKLSA-N 1 2 352.862 2.630 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(Cl)c2)C[C@H]1OC ZINC001211999151 981429606 /nfs/dbraw/zinc/42/96/06/981429606.db2.gz ACHHPNYPXDVFBP-NVXWUHKLSA-N 1 2 352.862 2.630 20 30 FFEDLO N#Cc1c(F)cccc1N1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001059971354 982308430 /nfs/dbraw/zinc/30/84/30/982308430.db2.gz ZOVDIXDNZJOHPW-RRFJBIMHSA-N 1 2 367.428 2.557 20 30 FFEDLO N#Cc1c(F)cccc1N1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001059971354 982308438 /nfs/dbraw/zinc/30/84/38/982308438.db2.gz ZOVDIXDNZJOHPW-RRFJBIMHSA-N 1 2 367.428 2.557 20 30 FFEDLO COC(=O)COc1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000897595649 982371099 /nfs/dbraw/zinc/37/10/99/982371099.db2.gz DYDHGWXNSMFQFM-HXUWFJFHSA-N 1 2 366.417 2.684 20 30 FFEDLO COC(=O)COc1ccccc1C[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000897595649 982371108 /nfs/dbraw/zinc/37/11/08/982371108.db2.gz DYDHGWXNSMFQFM-HXUWFJFHSA-N 1 2 366.417 2.684 20 30 FFEDLO Cc1cccnc1NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000878056254 1014839382 /nfs/dbraw/zinc/83/93/82/1014839382.db2.gz QKPGWBXMKKJMMY-UHFFFAOYSA-N 1 2 350.422 2.744 20 30 FFEDLO C=CCCC[C@@H](NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000898014529 982591332 /nfs/dbraw/zinc/59/13/32/982591332.db2.gz DVMKIOAMOREGRM-ZWKOTPCHSA-N 1 2 366.465 2.528 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cn3cc(C)sc3n2)[C@H]1C ZINC001088702618 983013540 /nfs/dbraw/zinc/01/35/40/983013540.db2.gz ZQNJGTRLWCXLCV-OCCSQVGLSA-N 1 2 352.891 2.578 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cn3cc(C)sc3n2)[C@H]1C ZINC001088702618 983013550 /nfs/dbraw/zinc/01/35/50/983013550.db2.gz ZQNJGTRLWCXLCV-OCCSQVGLSA-N 1 2 352.891 2.578 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671395625 984081333 /nfs/dbraw/zinc/08/13/33/984081333.db2.gz ZKIYUGSXACGISD-UHFFFAOYSA-N 1 2 369.509 2.713 20 30 FFEDLO CCCCCCNC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055172120 984321830 /nfs/dbraw/zinc/32/18/30/984321830.db2.gz XJLMLNUNHTWJDH-UHFFFAOYSA-N 1 2 356.514 2.762 20 30 FFEDLO CCCCCCNC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055172120 984321841 /nfs/dbraw/zinc/32/18/41/984321841.db2.gz XJLMLNUNHTWJDH-UHFFFAOYSA-N 1 2 356.514 2.762 20 30 FFEDLO CC(C)c1nsc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@@H](C)C#N)CCC[C@@H]23)n1 ZINC001107336582 984460293 /nfs/dbraw/zinc/46/02/93/984460293.db2.gz ODKNZUNOPKRUNI-PMUMKWKESA-N 1 2 361.515 2.682 20 30 FFEDLO CC(C)c1nsc(C[N@H+]2CC[C@@]3(CNC(=O)[C@@H](C)C#N)CCC[C@@H]23)n1 ZINC001107336582 984460295 /nfs/dbraw/zinc/46/02/95/984460295.db2.gz ODKNZUNOPKRUNI-PMUMKWKESA-N 1 2 361.515 2.682 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3nc4ccccc4o3)C[C@H]2O)CC1 ZINC001077622528 984709144 /nfs/dbraw/zinc/70/91/44/984709144.db2.gz ORMXZZPGQHAQLJ-BMGDILEWSA-N 1 2 369.465 2.797 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3nc4ccccc4o3)C[C@H]2O)CC1 ZINC001077622528 984709153 /nfs/dbraw/zinc/70/91/53/984709153.db2.gz ORMXZZPGQHAQLJ-BMGDILEWSA-N 1 2 369.465 2.797 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ccc(F)c(F)c3)C[C@H]2O)CC1 ZINC001077625064 984718975 /nfs/dbraw/zinc/71/89/75/984718975.db2.gz OXVYWYBZVMZHKH-MJXNMMHHSA-N 1 2 364.436 2.934 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ccc(F)c(F)c3)C[C@H]2O)CC1 ZINC001077625064 984718980 /nfs/dbraw/zinc/71/89/80/984718980.db2.gz OXVYWYBZVMZHKH-MJXNMMHHSA-N 1 2 364.436 2.934 20 30 FFEDLO C#CCOc1ccc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000765143625 984973516 /nfs/dbraw/zinc/97/35/16/984973516.db2.gz YERYCFUCVFDSHK-NRFANRHFSA-N 1 2 365.429 2.643 20 30 FFEDLO C#CCOc1ccc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000765143625 984973526 /nfs/dbraw/zinc/97/35/26/984973526.db2.gz YERYCFUCVFDSHK-NRFANRHFSA-N 1 2 365.429 2.643 20 30 FFEDLO CC(C)c1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)[nH]n1 ZINC001088874171 985239351 /nfs/dbraw/zinc/23/93/51/985239351.db2.gz OEGRSEBNYHLQOJ-DYVFJYSZSA-N 1 2 369.444 2.937 20 30 FFEDLO CC(C)c1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)[nH]n1 ZINC001088874171 985239357 /nfs/dbraw/zinc/23/93/57/985239357.db2.gz OEGRSEBNYHLQOJ-DYVFJYSZSA-N 1 2 369.444 2.937 20 30 FFEDLO CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)c(C)n1 ZINC001088888765 985332916 /nfs/dbraw/zinc/33/29/16/985332916.db2.gz FXWNYLQNVOALHO-KUHUBIRLSA-N 1 2 369.444 2.615 20 30 FFEDLO CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)c(C)n1 ZINC001088888765 985332920 /nfs/dbraw/zinc/33/29/20/985332920.db2.gz FXWNYLQNVOALHO-KUHUBIRLSA-N 1 2 369.444 2.615 20 30 FFEDLO N#Cc1ncc(Br)cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212352028 985515602 /nfs/dbraw/zinc/51/56/02/985515602.db2.gz DTSVAHGZBWTTTC-UHFFFAOYSA-N 1 2 360.215 2.691 20 30 FFEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2C[C@H]2C2CC2)cc1C#N ZINC001032530784 985665005 /nfs/dbraw/zinc/66/50/05/985665005.db2.gz UYLHLFFVKGGLRJ-LEAZDLGRSA-N 1 2 365.477 2.788 20 30 FFEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2C[C@H]2C2CC2)cc1C#N ZINC001032530784 985665012 /nfs/dbraw/zinc/66/50/12/985665012.db2.gz UYLHLFFVKGGLRJ-LEAZDLGRSA-N 1 2 365.477 2.788 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC000997815136 985758187 /nfs/dbraw/zinc/75/81/87/985758187.db2.gz KRFLPDACXRMNMP-IKGGRYGDSA-N 1 2 372.513 2.777 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001007370016 1015204373 /nfs/dbraw/zinc/20/43/73/1015204373.db2.gz XMYRJTDTVCJZOR-PCCBWWKXSA-N 1 2 360.461 2.838 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001007370016 1015204378 /nfs/dbraw/zinc/20/43/78/1015204378.db2.gz XMYRJTDTVCJZOR-PCCBWWKXSA-N 1 2 360.461 2.838 20 30 FFEDLO CC#CCCCC(=O)NC1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001486740350 987394773 /nfs/dbraw/zinc/39/47/73/987394773.db2.gz UPKOBAVQBUUGOG-OPQOLIRYSA-N 1 2 370.497 2.593 20 30 FFEDLO CC#CCCCC(=O)NC1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001486740350 987394780 /nfs/dbraw/zinc/39/47/80/987394780.db2.gz UPKOBAVQBUUGOG-OPQOLIRYSA-N 1 2 370.497 2.593 20 30 FFEDLO CCC(CC)[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212493571 987747594 /nfs/dbraw/zinc/74/75/94/987747594.db2.gz CPMLYQFHPHCMGV-CWFSZBLJSA-N 1 2 357.498 2.946 20 30 FFEDLO CCC(CC)[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212493571 987747598 /nfs/dbraw/zinc/74/75/98/987747598.db2.gz CPMLYQFHPHCMGV-CWFSZBLJSA-N 1 2 357.498 2.946 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](Cn3cnc(-c4ccccn4)n3)CC2)cc1 ZINC000762497970 988412921 /nfs/dbraw/zinc/41/29/21/988412921.db2.gz ULZJFVNXCMGZNB-UHFFFAOYSA-N 1 2 360.421 2.713 20 30 FFEDLO CCCOc1cccc(CNC(=O)CO[NH+]=C(N)c2ccc(F)c(C)c2)c1 ZINC000762708501 988594743 /nfs/dbraw/zinc/59/47/43/988594743.db2.gz FIGOYWNVVQBVAM-UHFFFAOYSA-N 1 2 373.428 2.876 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC001033085612 988755431 /nfs/dbraw/zinc/75/54/31/988755431.db2.gz ACUYNEWOEVRXED-BBWFWOEESA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ncc(C(C)C)o2)C1 ZINC001033085612 988755439 /nfs/dbraw/zinc/75/54/39/988755439.db2.gz ACUYNEWOEVRXED-BBWFWOEESA-N 1 2 361.486 2.812 20 30 FFEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C2)cn1 ZINC001031279944 989165813 /nfs/dbraw/zinc/16/58/13/989165813.db2.gz SXNZHXLYZWEHCR-OALUTQOASA-N 1 2 367.399 2.526 20 30 FFEDLO C=CCCC(=O)NCc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001060581730 989171888 /nfs/dbraw/zinc/17/18/88/989171888.db2.gz SVASACKLPBDLRZ-BMGDILEWSA-N 1 2 366.465 2.973 20 30 FFEDLO C=CCCC(=O)NCc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001060581730 989171892 /nfs/dbraw/zinc/17/18/92/989171892.db2.gz SVASACKLPBDLRZ-BMGDILEWSA-N 1 2 366.465 2.973 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncc(CC)o2)C1 ZINC001033497072 989626803 /nfs/dbraw/zinc/62/68/03/989626803.db2.gz SAVQKAAKVAPXGX-AYBZRNKSSA-N 1 2 361.486 2.641 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ncc(CC)o2)C1 ZINC001033497072 989626807 /nfs/dbraw/zinc/62/68/07/989626807.db2.gz SAVQKAAKVAPXGX-AYBZRNKSSA-N 1 2 361.486 2.641 20 30 FFEDLO C[C@@H](CCCCNc1ncccc1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001090168299 989837729 /nfs/dbraw/zinc/83/77/29/989837729.db2.gz AQIFDVUIYHTANT-NUEKZKHPSA-N 1 2 352.442 2.567 20 30 FFEDLO C[C@@H](CCCCNc1ncccc1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001090168299 989837736 /nfs/dbraw/zinc/83/77/36/989837736.db2.gz AQIFDVUIYHTANT-NUEKZKHPSA-N 1 2 352.442 2.567 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3oc(C(C)C)nc3C)C[C@@H]2O)CC1 ZINC001083754180 990140081 /nfs/dbraw/zinc/14/00/81/990140081.db2.gz DODRLOUJMODUQS-SJORKVTESA-N 1 2 361.486 2.514 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3oc(C(C)C)nc3C)C[C@@H]2O)CC1 ZINC001083754180 990140084 /nfs/dbraw/zinc/14/00/84/990140084.db2.gz DODRLOUJMODUQS-SJORKVTESA-N 1 2 361.486 2.514 20 30 FFEDLO CC#CCCCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001079036395 991144703 /nfs/dbraw/zinc/14/47/03/991144703.db2.gz DKGOCRJGPVWFAF-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO CC#CCCCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001079036395 991144705 /nfs/dbraw/zinc/14/47/05/991144705.db2.gz DKGOCRJGPVWFAF-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)CCC(=O)CCC(=O)c2ccc(C)s2)C1 ZINC000923589184 991289455 /nfs/dbraw/zinc/28/94/55/991289455.db2.gz NWMSIRZUTKOKMI-MRXNPFEDSA-N 1 2 374.506 2.583 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCC(=O)CCC(=O)c2ccc(C)s2)C1 ZINC000923589184 991289460 /nfs/dbraw/zinc/28/94/60/991289460.db2.gz NWMSIRZUTKOKMI-MRXNPFEDSA-N 1 2 374.506 2.583 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1CCC)C1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC001483987352 991303793 /nfs/dbraw/zinc/30/37/93/991303793.db2.gz MZWJUGPYPMVCHI-DYESRHJHSA-N 1 2 368.525 2.692 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3Cc4cccnc4N4CCC[C@H]4C3)o2)c1 ZINC000879690362 1015642112 /nfs/dbraw/zinc/64/21/12/1015642112.db2.gz QDOIWAFJJXLOAN-SFHVURJKSA-N 1 2 372.432 2.988 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3Cc4cccnc4N4CCC[C@H]4C3)o2)c1 ZINC000879690362 1015642115 /nfs/dbraw/zinc/64/21/15/1015642115.db2.gz QDOIWAFJJXLOAN-SFHVURJKSA-N 1 2 372.432 2.988 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CN(c3nc(C)[nH+]c4c3CCCC4)C[C@H]21 ZINC001090309987 991700864 /nfs/dbraw/zinc/70/08/64/991700864.db2.gz CMZJIMKFNYFYHO-FXAWDEMLSA-N 1 2 366.509 2.895 20 30 FFEDLO C#CCC1(O)CCN(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)CC1 ZINC000879720208 1015653982 /nfs/dbraw/zinc/65/39/82/1015653982.db2.gz DNVPECLLKOTBLD-UHFFFAOYSA-N 1 2 352.438 2.683 20 30 FFEDLO C=C1CCC(C(=O)N(Cc2ccccc2)[C@@H]2C[N@@H+](CCF)C[C@H]2O)CC1 ZINC001079142711 991793722 /nfs/dbraw/zinc/79/37/22/991793722.db2.gz QABAIKQUTBCJMI-WOJBJXKFSA-N 1 2 360.473 2.776 20 30 FFEDLO C=C1CCC(C(=O)N(Cc2ccccc2)[C@@H]2C[N@H+](CCF)C[C@H]2O)CC1 ZINC001079142711 991793733 /nfs/dbraw/zinc/79/37/33/991793733.db2.gz QABAIKQUTBCJMI-WOJBJXKFSA-N 1 2 360.473 2.776 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2OC)C[C@H]1OC ZINC001212344743 991819367 /nfs/dbraw/zinc/81/93/67/991819367.db2.gz KTDPZVNZTXYOOH-SJLPKXTDSA-N 1 2 350.434 2.506 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2OC)C[C@H]1OC ZINC001212344743 991819373 /nfs/dbraw/zinc/81/93/73/991819373.db2.gz KTDPZVNZTXYOOH-SJLPKXTDSA-N 1 2 350.434 2.506 20 30 FFEDLO CCc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2ccccc2F)o1 ZINC001079287087 991973135 /nfs/dbraw/zinc/97/31/35/991973135.db2.gz NEHGIBHTEPFSHP-QANKJYHBSA-N 1 2 370.428 2.620 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001079408993 992096572 /nfs/dbraw/zinc/09/65/72/992096572.db2.gz OQALBARRHCMJCX-PIGZYNQJSA-N 1 2 356.401 2.553 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001079408993 992096577 /nfs/dbraw/zinc/09/65/77/992096577.db2.gz OQALBARRHCMJCX-PIGZYNQJSA-N 1 2 356.401 2.553 20 30 FFEDLO Cc1ncsc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC001079450565 992100819 /nfs/dbraw/zinc/10/08/19/992100819.db2.gz NYYIHLGIOXUGPP-BDJLRTHQSA-N 1 2 358.442 2.713 20 30 FFEDLO Cc1ncsc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC001079450565 992100821 /nfs/dbraw/zinc/10/08/21/992100821.db2.gz NYYIHLGIOXUGPP-BDJLRTHQSA-N 1 2 358.442 2.713 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2coc(C)n2)CC1(C)C ZINC000940754529 992143956 /nfs/dbraw/zinc/14/39/56/992143956.db2.gz ZCDJSVGSOBIFEB-SQNIBIBYSA-N 1 2 361.486 2.681 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2coc(C)n2)CC1(C)C ZINC000940754529 992143962 /nfs/dbraw/zinc/14/39/62/992143962.db2.gz ZCDJSVGSOBIFEB-SQNIBIBYSA-N 1 2 361.486 2.681 20 30 FFEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000967574116 1015696655 /nfs/dbraw/zinc/69/66/55/1015696655.db2.gz CDLLEKBXDAJDSP-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000967574116 1015696656 /nfs/dbraw/zinc/69/66/56/1015696656.db2.gz CDLLEKBXDAJDSP-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C)on2)CC1(C)C ZINC000941091569 992292514 /nfs/dbraw/zinc/29/25/14/992292514.db2.gz XCFFAQDDSKKHRN-BZSNNMDCSA-N 1 2 361.486 2.681 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)on2)CC1(C)C ZINC000941091569 992292525 /nfs/dbraw/zinc/29/25/25/992292525.db2.gz XCFFAQDDSKKHRN-BZSNNMDCSA-N 1 2 361.486 2.681 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COc3cc(F)ccc3C2)C1 ZINC001079695368 992331388 /nfs/dbraw/zinc/33/13/88/992331388.db2.gz VNFGJUFBCDKYJJ-DIOULYMOSA-N 1 2 352.837 2.566 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COc3cc(F)ccc3C2)C1 ZINC001079695368 992331395 /nfs/dbraw/zinc/33/13/95/992331395.db2.gz VNFGJUFBCDKYJJ-DIOULYMOSA-N 1 2 352.837 2.566 20 30 FFEDLO Cc1ncc(CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]2C)o1 ZINC001079842532 992483074 /nfs/dbraw/zinc/48/30/74/992483074.db2.gz GVJBEPUZQPFXJM-AUUYWEPGSA-N 1 2 371.868 2.667 20 30 FFEDLO Cc1ncc(CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]2C)o1 ZINC001079842532 992483080 /nfs/dbraw/zinc/48/30/80/992483080.db2.gz GVJBEPUZQPFXJM-AUUYWEPGSA-N 1 2 371.868 2.667 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032040579 992737470 /nfs/dbraw/zinc/73/74/70/992737470.db2.gz KRZODXYKGCWUSD-ICSRJNTNSA-N 1 2 371.456 2.617 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1coc(C2CC2)n1 ZINC001080568781 993148869 /nfs/dbraw/zinc/14/88/69/993148869.db2.gz DQLAHPNKFZFVSD-RDTXWAMCSA-N 1 2 367.424 2.793 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1coc(C2CC2)n1 ZINC001080568781 993148878 /nfs/dbraw/zinc/14/88/78/993148878.db2.gz DQLAHPNKFZFVSD-RDTXWAMCSA-N 1 2 367.424 2.793 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001080599143 993219467 /nfs/dbraw/zinc/21/94/67/993219467.db2.gz RQXFORFKXBIZEM-OLMMMNRUSA-N 1 2 361.486 2.716 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001080599143 993219475 /nfs/dbraw/zinc/21/94/75/993219475.db2.gz RQXFORFKXBIZEM-OLMMMNRUSA-N 1 2 361.486 2.716 20 30 FFEDLO CCCc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)no1 ZINC001080703863 993294752 /nfs/dbraw/zinc/29/47/52/993294752.db2.gz WVTNWOKBFNBZCC-BFUOFWGJSA-N 1 2 370.428 2.888 20 30 FFEDLO CCCc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)no1 ZINC001080703863 993294757 /nfs/dbraw/zinc/29/47/57/993294757.db2.gz WVTNWOKBFNBZCC-BFUOFWGJSA-N 1 2 370.428 2.888 20 30 FFEDLO CCCc1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)co1 ZINC001080775603 993354009 /nfs/dbraw/zinc/35/40/09/993354009.db2.gz RNBOOMWQACSJPX-RHSMWYFYSA-N 1 2 352.438 2.749 20 30 FFEDLO CCCc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)co1 ZINC001080775603 993354012 /nfs/dbraw/zinc/35/40/12/993354012.db2.gz RNBOOMWQACSJPX-RHSMWYFYSA-N 1 2 352.438 2.749 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(N(C)C)c2)C1 ZINC001080842238 993427319 /nfs/dbraw/zinc/42/73/19/993427319.db2.gz AVKWAHWLSUUAHA-MLGOLLRUSA-N 1 2 366.303 2.711 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(N(C)C)c2)C1 ZINC001080842238 993427323 /nfs/dbraw/zinc/42/73/23/993427323.db2.gz AVKWAHWLSUUAHA-MLGOLLRUSA-N 1 2 366.303 2.711 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cccc(C)c1 ZINC001081313425 993795856 /nfs/dbraw/zinc/79/58/56/993795856.db2.gz BPXNTLMVVPGEAS-WOJBJXKFSA-N 1 2 367.424 2.635 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cccc(C)c1 ZINC001081313425 993795865 /nfs/dbraw/zinc/79/58/65/993795865.db2.gz BPXNTLMVVPGEAS-WOJBJXKFSA-N 1 2 367.424 2.635 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@]1(C)CC=CCC1 ZINC001081730357 993940143 /nfs/dbraw/zinc/94/01/43/993940143.db2.gz JERACDTXKSCZQO-SBHAEUEKSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@]1(C)CC=CCC1 ZINC001081730357 993940154 /nfs/dbraw/zinc/94/01/54/993940154.db2.gz JERACDTXKSCZQO-SBHAEUEKSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CCCC1(C)C ZINC001082036179 994132123 /nfs/dbraw/zinc/13/21/23/994132123.db2.gz DGROXUQAFFNAFA-BRWVUGGUSA-N 1 2 361.511 2.761 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CCCC1(C)C ZINC001082036179 994132131 /nfs/dbraw/zinc/13/21/31/994132131.db2.gz DGROXUQAFFNAFA-BRWVUGGUSA-N 1 2 361.511 2.761 20 30 FFEDLO C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001131506775 994337875 /nfs/dbraw/zinc/33/78/75/994337875.db2.gz ODVFFMQSWQMJRY-ILXRZTDVSA-N 1 2 366.399 2.839 20 30 FFEDLO C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001131506775 994337880 /nfs/dbraw/zinc/33/78/80/994337880.db2.gz ODVFFMQSWQMJRY-ILXRZTDVSA-N 1 2 366.399 2.839 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CC12CCCC2 ZINC001082302517 994349940 /nfs/dbraw/zinc/34/99/40/994349940.db2.gz OQDIGCJZQBKHTP-GVDBMIGSSA-N 1 2 359.495 2.515 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CC12CCCC2 ZINC001082302517 994349948 /nfs/dbraw/zinc/34/99/48/994349948.db2.gz OQDIGCJZQBKHTP-GVDBMIGSSA-N 1 2 359.495 2.515 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cc(C)ccc1C ZINC001082343885 994394237 /nfs/dbraw/zinc/39/42/37/994394237.db2.gz LWTTUFBHAUFMAU-NHCUHLMSSA-N 1 2 363.461 2.804 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cc(C)ccc1C ZINC001082343885 994394246 /nfs/dbraw/zinc/39/42/46/994394246.db2.gz LWTTUFBHAUFMAU-NHCUHLMSSA-N 1 2 363.461 2.804 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cc(C)cc(C)c1 ZINC001082343686 994395936 /nfs/dbraw/zinc/39/59/36/994395936.db2.gz AXBHUTXGHBZQEM-FGZHOGPDSA-N 1 2 362.473 2.784 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cc(C)cc(C)c1 ZINC001082343686 994395944 /nfs/dbraw/zinc/39/59/44/994395944.db2.gz AXBHUTXGHBZQEM-FGZHOGPDSA-N 1 2 362.473 2.784 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ccc(C)cc1 ZINC001082341654 994422820 /nfs/dbraw/zinc/42/28/20/994422820.db2.gz YETCZAKVEULBGA-QZTJIDSGSA-N 1 2 355.463 2.557 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ccc(C)cc1 ZINC001082341654 994422829 /nfs/dbraw/zinc/42/28/29/994422829.db2.gz YETCZAKVEULBGA-QZTJIDSGSA-N 1 2 355.463 2.557 20 30 FFEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001082524228 994821686 /nfs/dbraw/zinc/82/16/86/994821686.db2.gz MDHVXPXMYQTTIV-FZQKWOKYSA-N 1 2 361.314 2.534 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170690969 995574928 /nfs/dbraw/zinc/57/49/28/995574928.db2.gz VVHIRYKJGPIZSO-HNAYVOBHSA-N 1 2 374.435 2.753 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170690969 995574930 /nfs/dbraw/zinc/57/49/30/995574930.db2.gz VVHIRYKJGPIZSO-HNAYVOBHSA-N 1 2 374.435 2.753 20 30 FFEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccc(F)cc1 ZINC000812933963 995581141 /nfs/dbraw/zinc/58/11/41/995581141.db2.gz OKYZHNDWVGHMNO-JXFKEZNVSA-N 1 2 366.440 2.983 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C4CC4)oc3C3CC3)[C@H]2C1 ZINC001083149748 996110175 /nfs/dbraw/zinc/11/01/75/996110175.db2.gz KHOQWTQLZHWQNU-PKOBYXMFSA-N 1 2 354.450 2.583 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C4CC4)oc3C3CC3)[C@H]2C1 ZINC001083149748 996110177 /nfs/dbraw/zinc/11/01/77/996110177.db2.gz KHOQWTQLZHWQNU-PKOBYXMFSA-N 1 2 354.450 2.583 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)o3)[C@@H]2C1 ZINC001084171416 996302284 /nfs/dbraw/zinc/30/22/84/996302284.db2.gz AYOATFBGEXJEEM-SJLPKXTDSA-N 1 2 365.433 2.815 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)o3)[C@@H]2C1 ZINC001084171416 996302287 /nfs/dbraw/zinc/30/22/87/996302287.db2.gz AYOATFBGEXJEEM-SJLPKXTDSA-N 1 2 365.433 2.815 20 30 FFEDLO O=C(c1ccc[nH]1)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084184426 996314863 /nfs/dbraw/zinc/31/48/63/996314863.db2.gz IJXZMECLCYVZTE-VQIMIIECSA-N 1 2 353.853 2.866 20 30 FFEDLO O=C(c1ccc[nH]1)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084184426 996314871 /nfs/dbraw/zinc/31/48/71/996314871.db2.gz IJXZMECLCYVZTE-VQIMIIECSA-N 1 2 353.853 2.866 20 30 FFEDLO CS[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084205121 996339537 /nfs/dbraw/zinc/33/95/37/996339537.db2.gz OAMISMAJKPULGP-YXJHDRRASA-N 1 2 362.926 2.976 20 30 FFEDLO CS[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084205121 996339545 /nfs/dbraw/zinc/33/95/45/996339545.db2.gz OAMISMAJKPULGP-YXJHDRRASA-N 1 2 362.926 2.976 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccc(F)nc4)[C@@H]3C2)c(F)c1 ZINC001084237235 996386840 /nfs/dbraw/zinc/38/68/40/996386840.db2.gz DEHMFMSSDSDSGV-SJLPKXTDSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(F)nc4)[C@@H]3C2)c(F)c1 ZINC001084237235 996386846 /nfs/dbraw/zinc/38/68/46/996386846.db2.gz DEHMFMSSDSDSGV-SJLPKXTDSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C[C@H]32)c[nH]1 ZINC001084288907 996395716 /nfs/dbraw/zinc/39/57/16/996395716.db2.gz GVMZYOMZQTUMSP-FZKQIMNGSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C[C@H]32)c[nH]1 ZINC001084288907 996395722 /nfs/dbraw/zinc/39/57/22/996395722.db2.gz GVMZYOMZQTUMSP-FZKQIMNGSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4ccoc4)[C@@H]3C2)c1 ZINC001084300747 996431407 /nfs/dbraw/zinc/43/14/07/996431407.db2.gz OWDZEHLPQZAXLV-VQIMIIECSA-N 1 2 353.397 2.566 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4ccoc4)[C@@H]3C2)c1 ZINC001084300747 996431412 /nfs/dbraw/zinc/43/14/12/996431412.db2.gz OWDZEHLPQZAXLV-VQIMIIECSA-N 1 2 353.397 2.566 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)co1 ZINC001084303400 996434736 /nfs/dbraw/zinc/43/47/36/996434736.db2.gz CPKFHVWNGTYODI-VQIMIIECSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)co1 ZINC001084303400 996434737 /nfs/dbraw/zinc/43/47/37/996434737.db2.gz CPKFHVWNGTYODI-VQIMIIECSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)ns1 ZINC001084308735 996439551 /nfs/dbraw/zinc/43/95/51/996439551.db2.gz CXCGZDSIJWBNQR-RDTXWAMCSA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)ns1 ZINC001084308735 996439555 /nfs/dbraw/zinc/43/95/55/996439555.db2.gz CXCGZDSIJWBNQR-RDTXWAMCSA-N 1 2 370.453 2.809 20 30 FFEDLO COc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001084334326 996464429 /nfs/dbraw/zinc/46/44/29/996464429.db2.gz ZVYAQKLZEUOKOW-CRAIPNDOSA-N 1 2 358.869 2.795 20 30 FFEDLO COc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001084334326 996464431 /nfs/dbraw/zinc/46/44/31/996464431.db2.gz ZVYAQKLZEUOKOW-CRAIPNDOSA-N 1 2 358.869 2.795 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nc3-c3ccoc3)[C@@H]2C1 ZINC001084542863 996661509 /nfs/dbraw/zinc/66/15/09/996661509.db2.gz GSGAYLSYRABEMF-CZUORRHYSA-N 1 2 360.845 2.579 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nc3-c3ccoc3)[C@@H]2C1 ZINC001084542863 996661511 /nfs/dbraw/zinc/66/15/11/996661511.db2.gz GSGAYLSYRABEMF-CZUORRHYSA-N 1 2 360.845 2.579 20 30 FFEDLO O=C(c1cc(C2CC2)on1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084555406 996674993 /nfs/dbraw/zinc/67/49/93/996674993.db2.gz DIRBWYREQYUKDB-UYAOXDASSA-N 1 2 361.445 2.750 20 30 FFEDLO O=C(c1cc(C2CC2)on1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084555406 996674995 /nfs/dbraw/zinc/67/49/95/996674995.db2.gz DIRBWYREQYUKDB-UYAOXDASSA-N 1 2 361.445 2.750 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+]([C@@H](C)C(=O)Nc4ccccc4)C[C@H]32)C1 ZINC001084646625 996758514 /nfs/dbraw/zinc/75/85/14/996758514.db2.gz OYDXFMKYGJADGK-YQVWRLOYSA-N 1 2 367.493 2.903 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+]([C@@H](C)C(=O)Nc4ccccc4)C[C@H]32)C1 ZINC001084646625 996758518 /nfs/dbraw/zinc/75/85/18/996758518.db2.gz OYDXFMKYGJADGK-YQVWRLOYSA-N 1 2 367.493 2.903 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cnc3c(C)cccn13)CC2 ZINC001136961995 997131643 /nfs/dbraw/zinc/13/16/43/997131643.db2.gz WXWPIOVLVRYYBV-UHFFFAOYSA-N 1 2 351.454 2.637 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cnc3c(C)cccn13)CC2 ZINC001136961995 997131653 /nfs/dbraw/zinc/13/16/53/997131653.db2.gz WXWPIOVLVRYYBV-UHFFFAOYSA-N 1 2 351.454 2.637 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ncccc4F)[C@@H]3C2)ccc1F ZINC001084738936 997160455 /nfs/dbraw/zinc/16/04/55/997160455.db2.gz JUABBXTXQWRVSS-RDTXWAMCSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ncccc4F)[C@@H]3C2)ccc1F ZINC001084738936 997160459 /nfs/dbraw/zinc/16/04/59/997160459.db2.gz JUABBXTXQWRVSS-RDTXWAMCSA-N 1 2 368.387 2.578 20 30 FFEDLO O=C(c1ncoc1C1CC1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084756709 997232573 /nfs/dbraw/zinc/23/25/73/997232573.db2.gz LHHUPGMEDYCNIE-RTBURBONSA-N 1 2 361.445 2.750 20 30 FFEDLO O=C(c1ncoc1C1CC1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084756709 997232586 /nfs/dbraw/zinc/23/25/86/997232586.db2.gz LHHUPGMEDYCNIE-RTBURBONSA-N 1 2 361.445 2.750 20 30 FFEDLO N#Cc1c(NC(=O)[C@@H]2[C@H](O)CC[N@@H+]2Cc2ccccc2)sc2c1CCC2 ZINC001143659417 997491851 /nfs/dbraw/zinc/49/18/51/997491851.db2.gz WGBKXSXCGADZFD-AEFFLSMTSA-N 1 2 367.474 2.682 20 30 FFEDLO N#Cc1c(NC(=O)[C@@H]2[C@H](O)CC[N@H+]2Cc2ccccc2)sc2c1CCC2 ZINC001143659417 997491856 /nfs/dbraw/zinc/49/18/56/997491856.db2.gz WGBKXSXCGADZFD-AEFFLSMTSA-N 1 2 367.474 2.682 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccn(CC)n3)C[C@H]21)c1ccccc1 ZINC001084847167 997632351 /nfs/dbraw/zinc/63/23/51/997632351.db2.gz MAUDEFWINUFBCN-HMXCVIKNSA-N 1 2 364.493 2.906 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccn(CC)n3)C[C@H]21)c1ccccc1 ZINC001084847167 997632360 /nfs/dbraw/zinc/63/23/60/997632360.db2.gz MAUDEFWINUFBCN-HMXCVIKNSA-N 1 2 364.493 2.906 20 30 FFEDLO C#CCOc1ccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000124919673 997723708 /nfs/dbraw/zinc/72/37/08/997723708.db2.gz HNYOWZSKYZVRHE-MRXNPFEDSA-N 1 2 352.438 2.919 20 30 FFEDLO C[C@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2(CCC2)CO1 ZINC000844422516 997878237 /nfs/dbraw/zinc/87/82/37/997878237.db2.gz NNMPUXTYPIGJQR-HOCLYGCPSA-N 1 2 362.433 2.867 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2(CCC2)CO1 ZINC000844422516 997878248 /nfs/dbraw/zinc/87/82/48/997878248.db2.gz NNMPUXTYPIGJQR-HOCLYGCPSA-N 1 2 362.433 2.867 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1CC(=O)OC ZINC001144069306 997980119 /nfs/dbraw/zinc/98/01/19/997980119.db2.gz QJMXRJRTBPURRN-GOSISDBHSA-N 1 2 358.482 2.865 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1CC(=O)OC ZINC001144069306 997980123 /nfs/dbraw/zinc/98/01/23/997980123.db2.gz QJMXRJRTBPURRN-GOSISDBHSA-N 1 2 358.482 2.865 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)[C@H]2C1 ZINC001084907466 998009436 /nfs/dbraw/zinc/00/94/36/998009436.db2.gz RYAZORRBCGYZPX-QAPCUYQASA-N 1 2 371.456 2.735 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)[C@H]2C1 ZINC001084907466 998009446 /nfs/dbraw/zinc/00/94/46/998009446.db2.gz RYAZORRBCGYZPX-QAPCUYQASA-N 1 2 371.456 2.735 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cn3c(cccc3C)n1)CCC2 ZINC001137296829 1016180873 /nfs/dbraw/zinc/18/08/73/1016180873.db2.gz PZUACWMCHZYBFD-UHFFFAOYSA-N 1 2 351.454 2.948 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cn3c(cccc3C)n1)CCC2 ZINC001137296829 1016180877 /nfs/dbraw/zinc/18/08/77/1016180877.db2.gz PZUACWMCHZYBFD-UHFFFAOYSA-N 1 2 351.454 2.948 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)nc1 ZINC001144160419 998074953 /nfs/dbraw/zinc/07/49/53/998074953.db2.gz JUNPOQNTZWANAP-GHTZIAJQSA-N 1 2 364.449 2.798 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)nc1 ZINC001144160419 998074965 /nfs/dbraw/zinc/07/49/65/998074965.db2.gz JUNPOQNTZWANAP-GHTZIAJQSA-N 1 2 364.449 2.798 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC3(F)F)C[C@@H]21 ZINC001084935765 998187251 /nfs/dbraw/zinc/18/72/51/998187251.db2.gz GBYDVKOIDVKQSO-DQYPLSBCSA-N 1 2 363.383 2.775 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC3(F)F)C[C@@H]21 ZINC001084935765 998187255 /nfs/dbraw/zinc/18/72/55/998187255.db2.gz GBYDVKOIDVKQSO-DQYPLSBCSA-N 1 2 363.383 2.775 20 30 FFEDLO C=CCNC(=O)[C@@H](C)OC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000731916456 998338370 /nfs/dbraw/zinc/33/83/70/998338370.db2.gz OOLDHEYMIQIUAN-DLBZAZTESA-N 1 2 358.482 2.564 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3OCC[C@H]3CC)C[C@@H]21 ZINC001084961706 998368306 /nfs/dbraw/zinc/36/83/06/998368306.db2.gz VOLDIIDWPJRIJA-WCVJEAGWSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3OCC[C@H]3CC)C[C@@H]21 ZINC001084961706 998368315 /nfs/dbraw/zinc/36/83/15/998368315.db2.gz VOLDIIDWPJRIJA-WCVJEAGWSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3coc(C(F)(F)F)n3)C[C@@H]21 ZINC001084980921 998511125 /nfs/dbraw/zinc/51/11/25/998511125.db2.gz LOXKUIWYHVGYBX-PWSUYJOCSA-N 1 2 363.767 2.982 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3coc(C(F)(F)F)n3)C[C@@H]21 ZINC001084980921 998511138 /nfs/dbraw/zinc/51/11/38/998511138.db2.gz LOXKUIWYHVGYBX-PWSUYJOCSA-N 1 2 363.767 2.982 20 30 FFEDLO CCOC(=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171181304 998528784 /nfs/dbraw/zinc/52/87/84/998528784.db2.gz JODBHSMNTOJHIZ-FOIQADDNSA-N 1 2 352.434 2.959 20 30 FFEDLO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1c(F)cc(O)cc1F)CC2 ZINC001144541780 998638416 /nfs/dbraw/zinc/63/84/16/998638416.db2.gz LDYBCAAKTYNWGM-UHFFFAOYSA-N 1 2 352.381 2.891 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ncc(C)cn4)[C@H]3C2)cc1 ZINC001085003379 998642711 /nfs/dbraw/zinc/64/27/11/998642711.db2.gz HZJZXSFFLYGXBY-QUCCMNQESA-N 1 2 360.461 2.503 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](Cc4ncc(C)cn4)[C@H]3C2)cc1 ZINC001085003379 998642715 /nfs/dbraw/zinc/64/27/15/998642715.db2.gz HZJZXSFFLYGXBY-QUCCMNQESA-N 1 2 360.461 2.503 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3CC)[C@H]2C1 ZINC001085004760 998651112 /nfs/dbraw/zinc/65/11/12/998651112.db2.gz IDLMINFSDSKSTC-SJORKVTESA-N 1 2 359.518 2.632 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3CC)[C@H]2C1 ZINC001085004760 998651115 /nfs/dbraw/zinc/65/11/15/998651115.db2.gz IDLMINFSDSKSTC-SJORKVTESA-N 1 2 359.518 2.632 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ocnc3CC)C[C@@H]21 ZINC001085027655 998705676 /nfs/dbraw/zinc/70/56/76/998705676.db2.gz FHGYMSBXIJCDPW-OCCSQVGLSA-N 1 2 368.275 2.682 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ocnc3CC)C[C@@H]21 ZINC001085027655 998705677 /nfs/dbraw/zinc/70/56/77/998705677.db2.gz FHGYMSBXIJCDPW-OCCSQVGLSA-N 1 2 368.275 2.682 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ncnn4C(C)(C)C)[C@H]3C2)C1 ZINC001085027149 998712391 /nfs/dbraw/zinc/71/23/91/998712391.db2.gz OFGUIDYUYQEBBN-SJORKVTESA-N 1 2 371.529 2.812 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4ncnn4C(C)(C)C)[C@H]3C2)C1 ZINC001085027149 998712395 /nfs/dbraw/zinc/71/23/95/998712395.db2.gz OFGUIDYUYQEBBN-SJORKVTESA-N 1 2 371.529 2.812 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001085036261 998737301 /nfs/dbraw/zinc/73/73/01/998737301.db2.gz XWEKFRQEGMIKTI-IPZZXCBHSA-N 1 2 371.456 2.545 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001085036261 998737303 /nfs/dbraw/zinc/73/73/03/998737303.db2.gz XWEKFRQEGMIKTI-IPZZXCBHSA-N 1 2 371.456 2.545 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)Nc2cc(C)ccc2OC)cc1 ZINC000733305956 998953371 /nfs/dbraw/zinc/95/33/71/998953371.db2.gz DAGDCXBMCUWLKV-CYBMUJFWSA-N 1 2 357.410 2.676 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001085599863 999585498 /nfs/dbraw/zinc/58/54/98/999585498.db2.gz CWQUZEOKNURPOA-NSHGMRRFSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001085599863 999585501 /nfs/dbraw/zinc/58/55/01/999585501.db2.gz CWQUZEOKNURPOA-NSHGMRRFSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001085599862 999585526 /nfs/dbraw/zinc/58/55/26/999585526.db2.gz CWQUZEOKNURPOA-GGPKGHCWSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001085599862 999585529 /nfs/dbraw/zinc/58/55/29/999585529.db2.gz CWQUZEOKNURPOA-GGPKGHCWSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC001085600536 999586680 /nfs/dbraw/zinc/58/66/80/999586680.db2.gz VZRULEYEMYCTQF-FCEWJHQRSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC001085600536 999586681 /nfs/dbraw/zinc/58/66/81/999586681.db2.gz VZRULEYEMYCTQF-FCEWJHQRSA-N 1 2 364.436 2.979 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001085650035 999602331 /nfs/dbraw/zinc/60/23/31/999602331.db2.gz GAMPQQUNBURUMX-AYBZRNKSSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001085650035 999602332 /nfs/dbraw/zinc/60/23/32/999602332.db2.gz GAMPQQUNBURUMX-AYBZRNKSSA-N 1 2 359.445 2.545 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1nsc2ccccc12 ZINC001085827444 999643664 /nfs/dbraw/zinc/64/36/64/999643664.db2.gz SCPDJMAFCRJJEJ-KYJSFNMBSA-N 1 2 371.506 2.920 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1nsc2ccccc12 ZINC001085827444 999643666 /nfs/dbraw/zinc/64/36/66/999643666.db2.gz SCPDJMAFCRJJEJ-KYJSFNMBSA-N 1 2 371.506 2.920 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC001085822992 999644255 /nfs/dbraw/zinc/64/42/55/999644255.db2.gz WWVDBFFUCGWNSX-DAYGRLMNSA-N 1 2 350.409 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC001085822992 999644267 /nfs/dbraw/zinc/64/42/67/999644267.db2.gz WWVDBFFUCGWNSX-DAYGRLMNSA-N 1 2 350.409 2.589 20 30 FFEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000745083602 999894356 /nfs/dbraw/zinc/89/43/56/999894356.db2.gz CQKZMCIHBVKPTR-ZEVUXNIQSA-N 1 2 363.502 2.723 20 30 FFEDLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000745083602 999894357 /nfs/dbraw/zinc/89/43/57/999894357.db2.gz CQKZMCIHBVKPTR-ZEVUXNIQSA-N 1 2 363.502 2.723 20 30 FFEDLO Cc1cnc(C#N)c(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)n1 ZINC001169520884 1000056373 /nfs/dbraw/zinc/05/63/73/1000056373.db2.gz QBCPKFYSGIBFAN-AEFFLSMTSA-N 1 2 365.437 2.528 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)/C(C)=C/CC)C3)c1 ZINC001109009809 1000149690 /nfs/dbraw/zinc/14/96/90/1000149690.db2.gz XDDQHRDIJCPMDM-OSFQFGKKSA-N 1 2 365.477 2.684 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)/C(C)=C/CC)C3)c1 ZINC001109009809 1000149691 /nfs/dbraw/zinc/14/96/91/1000149691.db2.gz XDDQHRDIJCPMDM-OSFQFGKKSA-N 1 2 365.477 2.684 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C2CC2)no1 ZINC001109039834 1000153897 /nfs/dbraw/zinc/15/38/97/1000153897.db2.gz IWDNYKZFURQXLD-UAFONNFLSA-N 1 2 359.470 2.755 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C2CC2)no1 ZINC001109039834 1000153899 /nfs/dbraw/zinc/15/38/99/1000153899.db2.gz IWDNYKZFURQXLD-UAFONNFLSA-N 1 2 359.470 2.755 20 30 FFEDLO CC[C@@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001109036842 1000156996 /nfs/dbraw/zinc/15/69/96/1000156996.db2.gz QYLFBPUSCFKDEE-YDZRNGNQSA-N 1 2 360.885 2.838 20 30 FFEDLO CC[C@@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001109036842 1000156997 /nfs/dbraw/zinc/15/69/97/1000156997.db2.gz QYLFBPUSCFKDEE-YDZRNGNQSA-N 1 2 360.885 2.838 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(-c2ccco2)oc1C ZINC001109071163 1000161584 /nfs/dbraw/zinc/16/15/84/1000161584.db2.gz UKTARAKBYKYOMP-VYDXJSESSA-N 1 2 371.437 2.667 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(-c2ccco2)oc1C ZINC001109071163 1000161585 /nfs/dbraw/zinc/16/15/85/1000161585.db2.gz UKTARAKBYKYOMP-VYDXJSESSA-N 1 2 371.437 2.667 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1sccc1Br ZINC001109090054 1000166463 /nfs/dbraw/zinc/16/64/63/1000166463.db2.gz BSOUBZUHJJQQLK-AAXDQBDMSA-N 1 2 368.300 2.892 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1sccc1Br ZINC001109090054 1000166464 /nfs/dbraw/zinc/16/64/64/1000166464.db2.gz BSOUBZUHJJQQLK-AAXDQBDMSA-N 1 2 368.300 2.892 20 30 FFEDLO CC[C@@H](C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109162826 1000177967 /nfs/dbraw/zinc/17/79/67/1000177967.db2.gz XKYBWAIVHQRGHK-OLQIXAPSSA-N 1 2 359.445 2.734 20 30 FFEDLO CC[C@@H](C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109162826 1000177968 /nfs/dbraw/zinc/17/79/68/1000177968.db2.gz XKYBWAIVHQRGHK-OLQIXAPSSA-N 1 2 359.445 2.734 20 30 FFEDLO CC(C)(C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109173310 1000181353 /nfs/dbraw/zinc/18/13/53/1000181353.db2.gz XWPQYYIHUBDOIV-NJAFHUGGSA-N 1 2 359.445 2.734 20 30 FFEDLO CC(C)(C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109173310 1000181354 /nfs/dbraw/zinc/18/13/54/1000181354.db2.gz XWPQYYIHUBDOIV-NJAFHUGGSA-N 1 2 359.445 2.734 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1Cl ZINC001109266975 1000208228 /nfs/dbraw/zinc/20/82/28/1000208228.db2.gz KDWKBOLWEDUJOS-IRWJRLHMSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1Cl ZINC001109266975 1000208233 /nfs/dbraw/zinc/20/82/33/1000208233.db2.gz KDWKBOLWEDUJOS-IRWJRLHMSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(Cl)c1 ZINC001109267216 1000208364 /nfs/dbraw/zinc/20/83/64/1000208364.db2.gz MWTAFHHMCWFAFU-NMVRNDPTSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(Cl)c1 ZINC001109267216 1000208366 /nfs/dbraw/zinc/20/83/66/1000208366.db2.gz MWTAFHHMCWFAFU-NMVRNDPTSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C3CC3)no2)CCC1 ZINC001109395428 1000375843 /nfs/dbraw/zinc/37/58/43/1000375843.db2.gz KDCXCACVCMZAIJ-MNEFBYGVSA-N 1 2 353.466 2.967 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C3CC3)no2)CCC1 ZINC001109395428 1000375845 /nfs/dbraw/zinc/37/58/45/1000375845.db2.gz KDCXCACVCMZAIJ-MNEFBYGVSA-N 1 2 353.466 2.967 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001091293315 1000378748 /nfs/dbraw/zinc/37/87/48/1000378748.db2.gz WWUANASPTQVRHL-SPYBWZPUSA-N 1 2 360.506 2.688 20 30 FFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000846987516 1000505827 /nfs/dbraw/zinc/50/58/27/1000505827.db2.gz NRFWDSQXFPKSGN-KRWDZBQOSA-N 1 2 364.449 2.837 20 30 FFEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCc2ccccn2)cc1 ZINC000769842707 1000620244 /nfs/dbraw/zinc/62/02/44/1000620244.db2.gz QESNCNAXQUMXPI-UHFFFAOYSA-N 1 2 356.426 2.943 20 30 FFEDLO CCC[C@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109592227 1000690048 /nfs/dbraw/zinc/69/00/48/1000690048.db2.gz LOCNHPTUOHMLEG-BVBHFADKSA-N 1 2 359.445 2.734 20 30 FFEDLO CCC[C@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109592227 1000690051 /nfs/dbraw/zinc/69/00/51/1000690051.db2.gz LOCNHPTUOHMLEG-BVBHFADKSA-N 1 2 359.445 2.734 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cccc(C)c1 ZINC001109601833 1000696145 /nfs/dbraw/zinc/69/61/45/1000696145.db2.gz QVFRQFSOINZNDD-SQNIBIBYSA-N 1 2 355.482 2.867 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cccc(C)c1 ZINC001109601833 1000696150 /nfs/dbraw/zinc/69/61/50/1000696150.db2.gz QVFRQFSOINZNDD-SQNIBIBYSA-N 1 2 355.482 2.867 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1 ZINC001109682213 1000836516 /nfs/dbraw/zinc/83/65/16/1000836516.db2.gz XZTQRMUUGABKJT-OEMYIYORSA-N 1 2 355.482 2.949 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1 ZINC001109682213 1000836520 /nfs/dbraw/zinc/83/65/20/1000836520.db2.gz XZTQRMUUGABKJT-OEMYIYORSA-N 1 2 355.482 2.949 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)c1ccco1 ZINC001109767852 1000974709 /nfs/dbraw/zinc/97/47/09/1000974709.db2.gz NZFRWGCUVYHVBM-NCOADZHNSA-N 1 2 373.497 2.781 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)c1ccco1 ZINC001109767852 1000974712 /nfs/dbraw/zinc/97/47/12/1000974712.db2.gz NZFRWGCUVYHVBM-NCOADZHNSA-N 1 2 373.497 2.781 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@@H](CNc2cc[nH+]c(C)n2)[C@H](OCC)C1 ZINC001091671886 1001022137 /nfs/dbraw/zinc/02/21/37/1001022137.db2.gz WVSDRRDJJLUHBD-QZTJIDSGSA-N 1 2 358.486 2.644 20 30 FFEDLO Cc1nc(N2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001091724339 1001160707 /nfs/dbraw/zinc/16/07/07/1001160707.db2.gz SVDFERCQXVCYFL-MORSLUCNSA-N 1 2 367.428 2.563 20 30 FFEDLO N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)c(F)c1 ZINC001110305248 1001897735 /nfs/dbraw/zinc/89/77/35/1001897735.db2.gz LKABRIATTLDQDT-WQVCFCJDSA-N 1 2 367.877 2.957 20 30 FFEDLO N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)c(F)c1 ZINC001110305248 1001897745 /nfs/dbraw/zinc/89/77/45/1001897745.db2.gz LKABRIATTLDQDT-WQVCFCJDSA-N 1 2 367.877 2.957 20 30 FFEDLO N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1sccc1Cl ZINC001110305447 1001900684 /nfs/dbraw/zinc/90/06/84/1001900684.db2.gz VMPUVIFQUNNANZ-RTXFEEFZSA-N 1 2 355.916 2.880 20 30 FFEDLO N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1sccc1Cl ZINC001110305447 1001900689 /nfs/dbraw/zinc/90/06/89/1001900689.db2.gz VMPUVIFQUNNANZ-RTXFEEFZSA-N 1 2 355.916 2.880 20 30 FFEDLO Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)n1C ZINC001096793146 1016550193 /nfs/dbraw/zinc/55/01/93/1016550193.db2.gz CANQUQOVSOVTFF-QRQLOZEOSA-N 1 2 366.440 2.880 20 30 FFEDLO Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)n1C ZINC001096793146 1016550203 /nfs/dbraw/zinc/55/02/03/1016550203.db2.gz CANQUQOVSOVTFF-QRQLOZEOSA-N 1 2 366.440 2.880 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3cn(C(C)(C)C)nn3)C[C@@]2(C)C1 ZINC001091918036 1002068552 /nfs/dbraw/zinc/06/85/52/1002068552.db2.gz HBBQYNIOAVNGLA-QRWLVFNGSA-N 1 2 359.518 2.526 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3cn(C(C)(C)C)nn3)C[C@@]2(C)C1 ZINC001091918036 1002068565 /nfs/dbraw/zinc/06/85/65/1002068565.db2.gz HBBQYNIOAVNGLA-QRWLVFNGSA-N 1 2 359.518 2.526 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)(C)C)o3)C[C@@]2(C)C1 ZINC001091918533 1002069908 /nfs/dbraw/zinc/06/99/08/1002069908.db2.gz LBQKXENCSQDZSZ-VLIAUNLRSA-N 1 2 360.502 2.860 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)(C)C)o3)C[C@@]2(C)C1 ZINC001091918533 1002069920 /nfs/dbraw/zinc/06/99/20/1002069920.db2.gz LBQKXENCSQDZSZ-VLIAUNLRSA-N 1 2 360.502 2.860 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)[C@H]2c3ccccc3CN2C(=O)OC(C)(C)C)CC1 ZINC001183012716 1002121725 /nfs/dbraw/zinc/12/17/25/1002121725.db2.gz AMEJUECATNIUAL-GOSISDBHSA-N 1 2 371.481 2.809 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(CC)s3)C[C@@]2(C)C1 ZINC001091981601 1002244359 /nfs/dbraw/zinc/24/43/59/1002244359.db2.gz PKXMHYKCQFCBQC-CCKFTAQKSA-N 1 2 362.543 2.983 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(CC)s3)C[C@@]2(C)C1 ZINC001091981601 1002244367 /nfs/dbraw/zinc/24/43/67/1002244367.db2.gz PKXMHYKCQFCBQC-CCKFTAQKSA-N 1 2 362.543 2.983 20 30 FFEDLO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001183891231 1002423073 /nfs/dbraw/zinc/42/30/73/1002423073.db2.gz KQSQVAQWWWWJHI-MRXNPFEDSA-N 1 2 359.433 2.681 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2snnc2C2CC2)C1 ZINC001086593412 1002552975 /nfs/dbraw/zinc/55/29/75/1002552975.db2.gz UPEPHYLDBCDLJD-DLBZAZTESA-N 1 2 366.490 2.637 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2snnc2C2CC2)C1 ZINC001086593412 1002552983 /nfs/dbraw/zinc/55/29/83/1002552983.db2.gz UPEPHYLDBCDLJD-DLBZAZTESA-N 1 2 366.490 2.637 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110351795 1002672290 /nfs/dbraw/zinc/67/22/90/1002672290.db2.gz JDRMHRLSAVRCTN-OBZTUIKSSA-N 1 2 355.482 2.841 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110351795 1002672298 /nfs/dbraw/zinc/67/22/98/1002672298.db2.gz JDRMHRLSAVRCTN-OBZTUIKSSA-N 1 2 355.482 2.841 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2CC(=O)OC)C1 ZINC001184787162 1002719580 /nfs/dbraw/zinc/71/95/80/1002719580.db2.gz HMGVGGGUWXYMEJ-GOSISDBHSA-N 1 2 356.466 2.619 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2CC(=O)OC)C1 ZINC001184787162 1002719591 /nfs/dbraw/zinc/71/95/91/1002719591.db2.gz HMGVGGGUWXYMEJ-GOSISDBHSA-N 1 2 356.466 2.619 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccnc(F)c2)C3)c(F)c1 ZINC001096872075 1016662113 /nfs/dbraw/zinc/66/21/13/1016662113.db2.gz WHQJNNUYRHTTQF-NXHRZFHOSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccnc(F)c2)C3)c(F)c1 ZINC001096872075 1016662117 /nfs/dbraw/zinc/66/21/17/1016662117.db2.gz WHQJNNUYRHTTQF-NXHRZFHOSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)nc1)C2 ZINC001096888686 1016683661 /nfs/dbraw/zinc/68/36/61/1016683661.db2.gz RCKLHHUNPXFLBD-KURKYZTESA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)nc1)C2 ZINC001096888686 1016683664 /nfs/dbraw/zinc/68/36/64/1016683664.db2.gz RCKLHHUNPXFLBD-KURKYZTESA-N 1 2 350.397 2.628 20 30 FFEDLO C=CCOCC(=O)NCC[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001092480145 1002954624 /nfs/dbraw/zinc/95/46/24/1002954624.db2.gz SDAITWMDGOJFCQ-NVXWUHKLSA-N 1 2 360.502 2.690 20 30 FFEDLO Cc1ccc2c(c1)CC[N@@H+](CC(=O)[C@H](C#N)c1nc3ccccc3c(=O)[nH]1)C2 ZINC000792313000 1002977125 /nfs/dbraw/zinc/97/71/25/1002977125.db2.gz RZEDOCCARSNXSV-SFHVURJKSA-N 1 2 372.428 2.878 20 30 FFEDLO Cc1ccc2c(c1)CC[N@H+](CC(=O)[C@H](C#N)c1nc3ccccc3c(=O)[nH]1)C2 ZINC000792313000 1002977135 /nfs/dbraw/zinc/97/71/35/1002977135.db2.gz RZEDOCCARSNXSV-SFHVURJKSA-N 1 2 372.428 2.878 20 30 FFEDLO CCc1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096902037 1016711654 /nfs/dbraw/zinc/71/16/54/1016711654.db2.gz KHDUXRXNEOEFJV-OIISXLGYSA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096902037 1016711664 /nfs/dbraw/zinc/71/16/64/1016711664.db2.gz KHDUXRXNEOEFJV-OIISXLGYSA-N 1 2 368.412 2.783 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1=CC[N@H+](Cc2cc(C)on2)CC1 ZINC001001244546 1016715597 /nfs/dbraw/zinc/71/55/97/1016715597.db2.gz GCXLEQUMDOLGLD-OALUTQOASA-N 1 2 359.470 2.603 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1=CC[N@@H+](Cc2cc(C)on2)CC1 ZINC001001244546 1016715609 /nfs/dbraw/zinc/71/56/09/1016715609.db2.gz GCXLEQUMDOLGLD-OALUTQOASA-N 1 2 359.470 2.603 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)C2)nn1 ZINC001185941946 1003121219 /nfs/dbraw/zinc/12/12/19/1003121219.db2.gz DTMWGMMGHRMVCQ-QXAKKESOSA-N 1 2 371.529 2.627 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CCNc2[nH+]cnc3c2cnn3C)C1 ZINC001092623230 1003326227 /nfs/dbraw/zinc/32/62/27/1003326227.db2.gz HVRWRVPUAITVLC-HUUCEWRRSA-N 1 2 370.501 2.862 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2scnc2C2CC2)C1 ZINC001086613636 1003374515 /nfs/dbraw/zinc/37/45/15/1003374515.db2.gz DVFXKFFLVKTXPK-DLBZAZTESA-N 1 2 351.475 2.852 20 30 FFEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2scnc2C2CC2)C1 ZINC001086613636 1003374523 /nfs/dbraw/zinc/37/45/23/1003374523.db2.gz DVFXKFFLVKTXPK-DLBZAZTESA-N 1 2 351.475 2.852 20 30 FFEDLO N#Cc1c(=O)n(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc2c1CCCC2 ZINC000793518826 1003397234 /nfs/dbraw/zinc/39/72/34/1003397234.db2.gz WOUSCWDRDHAVHZ-JOCHJYFZSA-N 1 2 361.445 2.688 20 30 FFEDLO N#Cc1c(=O)n(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc2c1CCCC2 ZINC000793518826 1003397246 /nfs/dbraw/zinc/39/72/46/1003397246.db2.gz WOUSCWDRDHAVHZ-JOCHJYFZSA-N 1 2 361.445 2.688 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1)n1cccc1 ZINC001096959461 1016771206 /nfs/dbraw/zinc/77/12/06/1016771206.db2.gz REPLNVZCNVGPLR-GVXRKXQCSA-N 1 2 366.440 2.982 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1)n1cccc1 ZINC001096959461 1016771215 /nfs/dbraw/zinc/77/12/15/1016771215.db2.gz REPLNVZCNVGPLR-GVXRKXQCSA-N 1 2 366.440 2.982 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnnn2C)CCCCC1 ZINC001110135413 1003525221 /nfs/dbraw/zinc/52/52/21/1003525221.db2.gz AZNAHGIFRYZKDQ-NJAFHUGGSA-N 1 2 357.502 2.563 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnnn2C)CCCCC1 ZINC001110135413 1003525227 /nfs/dbraw/zinc/52/52/27/1003525227.db2.gz AZNAHGIFRYZKDQ-NJAFHUGGSA-N 1 2 357.502 2.563 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CC2)CCCCC1 ZINC001110135664 1003529678 /nfs/dbraw/zinc/52/96/78/1003529678.db2.gz OMCOZLFQUBJNGL-SQNIBIBYSA-N 1 2 359.514 2.513 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CC2)CCCCC1 ZINC001110135664 1003529682 /nfs/dbraw/zinc/52/96/82/1003529682.db2.gz OMCOZLFQUBJNGL-SQNIBIBYSA-N 1 2 359.514 2.513 20 30 FFEDLO CCO[C@H](CC)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187101991 1003570066 /nfs/dbraw/zinc/57/00/66/1003570066.db2.gz SALSLYRSAFSNOZ-KFKAGJAMSA-N 1 2 359.445 2.545 20 30 FFEDLO CCO[C@H](CC)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187101991 1003570071 /nfs/dbraw/zinc/57/00/71/1003570071.db2.gz SALSLYRSAFSNOZ-KFKAGJAMSA-N 1 2 359.445 2.545 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(-c2ccco2)oc1C ZINC001110390581 1003591687 /nfs/dbraw/zinc/59/16/87/1003591687.db2.gz UKTARAKBYKYOMP-INMHGKMJSA-N 1 2 371.437 2.667 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(-c2ccco2)oc1C ZINC001110390581 1003591695 /nfs/dbraw/zinc/59/16/95/1003591695.db2.gz UKTARAKBYKYOMP-INMHGKMJSA-N 1 2 371.437 2.667 20 30 FFEDLO C=CC[N@@H+](Cc1ccccc1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000102389772 1003726197 /nfs/dbraw/zinc/72/61/97/1003726197.db2.gz SMKHXRGGXBCZAH-UHFFFAOYSA-N 1 2 374.444 2.968 20 30 FFEDLO C=CC[N@H+](Cc1ccccc1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000102389772 1003726200 /nfs/dbraw/zinc/72/62/00/1003726200.db2.gz SMKHXRGGXBCZAH-UHFFFAOYSA-N 1 2 374.444 2.968 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[C@@H]2CCOC2)C3)c(F)c1 ZINC001110439091 1003895240 /nfs/dbraw/zinc/89/52/40/1003895240.db2.gz NLNBIRBPXCKLPJ-JRJVTICQSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[C@@H]2CCOC2)C3)c(F)c1 ZINC001110439091 1003895250 /nfs/dbraw/zinc/89/52/50/1003895250.db2.gz NLNBIRBPXCKLPJ-JRJVTICQSA-N 1 2 371.456 2.736 20 30 FFEDLO COc1ccccc1-c1nnc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)o1 ZINC000158169359 1004058063 /nfs/dbraw/zinc/05/80/63/1004058063.db2.gz RTKBFVXGQYMSSV-UHFFFAOYSA-N 1 2 366.377 2.517 20 30 FFEDLO COC(=O)[C@@H](c1cc(OC)cc(OC)c1)[N@H+](C)CCc1cccc(C#N)c1 ZINC001197116563 1004090843 /nfs/dbraw/zinc/09/08/43/1004090843.db2.gz RZANDZBWHLBOCA-HXUWFJFHSA-N 1 2 368.433 2.964 20 30 FFEDLO COC(=O)[C@@H](c1cc(OC)cc(OC)c1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC001197116563 1004090852 /nfs/dbraw/zinc/09/08/52/1004090852.db2.gz RZANDZBWHLBOCA-HXUWFJFHSA-N 1 2 368.433 2.964 20 30 FFEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc2cc[nH]c2c1 ZINC001197201124 1004119158 /nfs/dbraw/zinc/11/91/58/1004119158.db2.gz BFIHGGPTXFBVSG-UHFFFAOYSA-N 1 2 353.447 2.945 20 30 FFEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc2cc[nH]c2c1 ZINC001197201124 1004119162 /nfs/dbraw/zinc/11/91/62/1004119162.db2.gz BFIHGGPTXFBVSG-UHFFFAOYSA-N 1 2 353.447 2.945 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CCc2cc(Cl)ccc2Cl)C[C@H]1O ZINC001192503630 1004181639 /nfs/dbraw/zinc/18/16/39/1004181639.db2.gz HBNAJYFDZVIPEK-IAGOWNOFSA-N 1 2 369.292 2.501 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CCc2cc(Cl)ccc2Cl)C[C@H]1O ZINC001192503630 1004181646 /nfs/dbraw/zinc/18/16/46/1004181646.db2.gz HBNAJYFDZVIPEK-IAGOWNOFSA-N 1 2 369.292 2.501 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)Nc1ccccc1C ZINC001110497323 1004417085 /nfs/dbraw/zinc/41/70/85/1004417085.db2.gz SSONGEXECMHRJU-LFGUQSLTSA-N 1 2 367.493 2.847 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)Nc1ccccc1C ZINC001110497323 1004417088 /nfs/dbraw/zinc/41/70/88/1004417088.db2.gz SSONGEXECMHRJU-LFGUQSLTSA-N 1 2 367.493 2.847 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1O ZINC001198080353 1004473247 /nfs/dbraw/zinc/47/32/47/1004473247.db2.gz FGXGWNCEALWUJX-QZTJIDSGSA-N 1 2 351.491 2.785 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1O ZINC001198080353 1004473250 /nfs/dbraw/zinc/47/32/50/1004473250.db2.gz FGXGWNCEALWUJX-QZTJIDSGSA-N 1 2 351.491 2.785 20 30 FFEDLO N#CC1(NC(=O)c2ccc(F)c(O)c2F)CC[NH+](Cc2ccccc2)CC1 ZINC001193793509 1004572331 /nfs/dbraw/zinc/57/23/31/1004572331.db2.gz PXNPDPLUOACHTL-UHFFFAOYSA-N 1 2 371.387 2.959 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000807746969 1004676038 /nfs/dbraw/zinc/67/60/38/1004676038.db2.gz RFTZPONYMZGDHP-UZLBHIALSA-N 1 2 365.518 2.742 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1O)c1ccccc1 ZINC001198956201 1004793051 /nfs/dbraw/zinc/79/30/51/1004793051.db2.gz SCDDZMBJQOTDIF-XUVXKRRUSA-N 1 2 370.880 2.971 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1O)c1ccccc1 ZINC001198956201 1004793055 /nfs/dbraw/zinc/79/30/55/1004793055.db2.gz SCDDZMBJQOTDIF-XUVXKRRUSA-N 1 2 370.880 2.971 20 30 FFEDLO CCCC[C@H](CC)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001194840734 1004827694 /nfs/dbraw/zinc/82/76/94/1004827694.db2.gz MYENINYMCAVBKX-CEWLAPEOSA-N 1 2 356.510 2.806 20 30 FFEDLO CCCC[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001194840734 1004827703 /nfs/dbraw/zinc/82/77/03/1004827703.db2.gz MYENINYMCAVBKX-CEWLAPEOSA-N 1 2 356.510 2.806 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](Cc2[nH]c(C)cc2C)Cc2nnn(CC3CC3)c21 ZINC001137324379 1016920640 /nfs/dbraw/zinc/92/06/40/1016920640.db2.gz QHFRVOKJILVURP-KRWDZBQOSA-N 1 2 355.486 2.935 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](Cc2[nH]c(C)cc2C)Cc2nnn(CC3CC3)c21 ZINC001137324379 1016920653 /nfs/dbraw/zinc/92/06/53/1016920653.db2.gz QHFRVOKJILVURP-KRWDZBQOSA-N 1 2 355.486 2.935 20 30 FFEDLO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC2CC2)C3)ccc1Cl ZINC001110540389 1005005609 /nfs/dbraw/zinc/00/56/09/1005005609.db2.gz PRIGYBUUDMJCQF-NXHRZFHOSA-N 1 2 358.869 2.984 20 30 FFEDLO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC2CC2)C3)ccc1Cl ZINC001110540389 1005005615 /nfs/dbraw/zinc/00/56/15/1005005615.db2.gz PRIGYBUUDMJCQF-NXHRZFHOSA-N 1 2 358.869 2.984 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)C[C@H]1O ZINC001195923614 1005074383 /nfs/dbraw/zinc/07/43/83/1005074383.db2.gz HQEDCKWBUQYQQY-ZHALLVOQSA-N 1 2 350.890 2.912 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)C[C@H]1O ZINC001195923614 1005074390 /nfs/dbraw/zinc/07/43/90/1005074390.db2.gz HQEDCKWBUQYQQY-ZHALLVOQSA-N 1 2 350.890 2.912 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F)C(C)C ZINC001110547484 1005081332 /nfs/dbraw/zinc/08/13/32/1005081332.db2.gz MFLOKCRJADALFZ-LMCOJAPRSA-N 1 2 373.472 2.980 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F)C(C)C ZINC001110547484 1005081334 /nfs/dbraw/zinc/08/13/34/1005081334.db2.gz MFLOKCRJADALFZ-LMCOJAPRSA-N 1 2 373.472 2.980 20 30 FFEDLO C=C1CCC(C(=O)N(C)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)CC1 ZINC001487680671 1005091048 /nfs/dbraw/zinc/09/10/48/1005091048.db2.gz XQCFTWSLOUQNLC-LMMKCTJWSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C1CCC(C(=O)N(C)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)CC1 ZINC001487680671 1005091050 /nfs/dbraw/zinc/09/10/50/1005091050.db2.gz XQCFTWSLOUQNLC-LMMKCTJWSA-N 1 2 370.497 2.613 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1)C1CC1 ZINC001110569416 1005257644 /nfs/dbraw/zinc/25/76/44/1005257644.db2.gz MZUWZFBUACBCEJ-RSPOEFSDSA-N 1 2 371.456 2.734 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1)C1CC1 ZINC001110569416 1005257648 /nfs/dbraw/zinc/25/76/48/1005257648.db2.gz MZUWZFBUACBCEJ-RSPOEFSDSA-N 1 2 371.456 2.734 20 30 FFEDLO CCCc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095668041 1016953858 /nfs/dbraw/zinc/95/38/58/1016953858.db2.gz JJBKXCNAJKLECB-UXPWSPDFSA-N 1 2 363.465 2.769 20 30 FFEDLO CCCc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095668041 1016953872 /nfs/dbraw/zinc/95/38/72/1016953872.db2.gz JJBKXCNAJKLECB-UXPWSPDFSA-N 1 2 363.465 2.769 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(OC)nc1C ZINC001110594098 1005390949 /nfs/dbraw/zinc/39/09/49/1005390949.db2.gz DJOMLJQRFPVMMK-QRVBRYPASA-N 1 2 370.497 2.784 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(OC)nc1C ZINC001110594098 1005390951 /nfs/dbraw/zinc/39/09/51/1005390951.db2.gz DJOMLJQRFPVMMK-QRVBRYPASA-N 1 2 370.497 2.784 20 30 FFEDLO CC(C)C[C@H](C(=O)N1CCC[C@@H](C)[C@H]1CCCNCC#N)n1cc[nH+]c1 ZINC001489064625 1005402911 /nfs/dbraw/zinc/40/29/11/1005402911.db2.gz HKDOQSUPDAUTQD-GUDVDZBRSA-N 1 2 359.518 2.991 20 30 FFEDLO Cc1cnc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](NC(=O)[C@@H](C)C#N)C2)o1 ZINC001489090669 1005418250 /nfs/dbraw/zinc/41/82/50/1005418250.db2.gz MISCURHZTSWIGH-BMGDILEWSA-N 1 2 352.438 2.617 20 30 FFEDLO Cc1cnc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](NC(=O)[C@@H](C)C#N)C2)o1 ZINC001489090669 1005418252 /nfs/dbraw/zinc/41/82/52/1005418252.db2.gz MISCURHZTSWIGH-BMGDILEWSA-N 1 2 352.438 2.617 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nc(-c3ccc(F)cc3)no2)[C@@H]1C ZINC001489260484 1005441980 /nfs/dbraw/zinc/44/19/80/1005441980.db2.gz FYZWLJRXZHFFTF-PBHICJAKSA-N 1 2 370.428 2.758 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)[C@@H]1C ZINC001489260484 1005441981 /nfs/dbraw/zinc/44/19/81/1005441981.db2.gz FYZWLJRXZHFFTF-PBHICJAKSA-N 1 2 370.428 2.758 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)CCCC=C)[C@H]2C)c1 ZINC001489286400 1005448990 /nfs/dbraw/zinc/44/89/90/1005448990.db2.gz GISPSKNAOPOSRW-APWZRJJASA-N 1 2 353.466 2.542 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)CCCC=C)[C@H]2C)c1 ZINC001489286400 1005448992 /nfs/dbraw/zinc/44/89/92/1005448992.db2.gz GISPSKNAOPOSRW-APWZRJJASA-N 1 2 353.466 2.542 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NCc1ccco1 ZINC001110602105 1005483723 /nfs/dbraw/zinc/48/37/23/1005483723.db2.gz BNNKXZVVVVNYFA-AHCXZYCDSA-N 1 2 373.497 2.608 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NCc1ccco1 ZINC001110602105 1005483724 /nfs/dbraw/zinc/48/37/24/1005483724.db2.gz BNNKXZVVVVNYFA-AHCXZYCDSA-N 1 2 373.497 2.608 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)c1ccco1 ZINC001110603702 1005511238 /nfs/dbraw/zinc/51/12/38/1005511238.db2.gz PFYWDAHZUMATJQ-HZMVEIRTSA-N 1 2 373.497 2.781 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)c1ccco1 ZINC001110603702 1005511241 /nfs/dbraw/zinc/51/12/41/1005511241.db2.gz PFYWDAHZUMATJQ-HZMVEIRTSA-N 1 2 373.497 2.781 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001110608170 1005560080 /nfs/dbraw/zinc/56/00/80/1005560080.db2.gz AMMZXQMOOKRSMD-QRVBRYPASA-N 1 2 355.482 2.727 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001110608170 1005560083 /nfs/dbraw/zinc/56/00/83/1005560083.db2.gz AMMZXQMOOKRSMD-QRVBRYPASA-N 1 2 355.482 2.727 20 30 FFEDLO C=CCCC(=O)N[C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@@H]1CC ZINC001489987833 1005622958 /nfs/dbraw/zinc/62/29/58/1005622958.db2.gz BALVAOPLQLYUHT-ZWKOTPCHSA-N 1 2 368.481 2.647 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001490694398 1005762694 /nfs/dbraw/zinc/76/26/94/1005762694.db2.gz KGSCWRGMHNCYKU-HFTRVMKXSA-N 1 2 352.438 2.781 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1c1ccco1)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110630000 1005873643 /nfs/dbraw/zinc/87/36/43/1005873643.db2.gz GQWFTGBPJZWLJN-QZTJIDSGSA-N 1 2 364.449 2.612 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C3CCC3)cc1)C2 ZINC001110637509 1005918614 /nfs/dbraw/zinc/91/86/14/1005918614.db2.gz SIOCCJXCMMZAIL-AQNXPRMDSA-N 1 2 367.493 2.591 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C3CCC3)cc1)C2 ZINC001110637509 1005918616 /nfs/dbraw/zinc/91/86/16/1005918616.db2.gz SIOCCJXCMMZAIL-AQNXPRMDSA-N 1 2 367.493 2.591 20 30 FFEDLO COc1cccc(NC(=O)CC[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852332298 1005981886 /nfs/dbraw/zinc/98/18/86/1005981886.db2.gz QMOVDHNZAISNJD-NRFANRHFSA-N 1 2 364.449 2.976 20 30 FFEDLO COc1cccc(NC(=O)CC[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852332298 1005981894 /nfs/dbraw/zinc/98/18/94/1005981894.db2.gz QMOVDHNZAISNJD-NRFANRHFSA-N 1 2 364.449 2.976 20 30 FFEDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)[C@H](C#N)c1nc3ccccc3c(=O)[nH]1)CC2 ZINC000852403834 1006007343 /nfs/dbraw/zinc/00/73/43/1006007343.db2.gz IPWNAXMINWXVCK-SFHVURJKSA-N 1 2 372.428 2.878 20 30 FFEDLO Cc1ccc2c(c1)C[N@H+](CC(=O)[C@H](C#N)c1nc3ccccc3c(=O)[nH]1)CC2 ZINC000852403834 1006007351 /nfs/dbraw/zinc/00/73/51/1006007351.db2.gz IPWNAXMINWXVCK-SFHVURJKSA-N 1 2 372.428 2.878 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CCC(F)(F)F)[C@@H]2C1 ZINC001187456297 1006091975 /nfs/dbraw/zinc/09/19/75/1006091975.db2.gz PTOHGBHNMUQSCA-WDEREUQCSA-N 1 2 355.198 2.770 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC(F)(F)F)[C@@H]2C1 ZINC001187456297 1006091982 /nfs/dbraw/zinc/09/19/82/1006091982.db2.gz PTOHGBHNMUQSCA-WDEREUQCSA-N 1 2 355.198 2.770 20 30 FFEDLO C=CCOCCCC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001187480221 1006108953 /nfs/dbraw/zinc/10/89/53/1006108953.db2.gz SRTRLPVGWCXCHP-DLBZAZTESA-N 1 2 359.470 2.568 20 30 FFEDLO C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001187480221 1006108958 /nfs/dbraw/zinc/10/89/58/1006108958.db2.gz SRTRLPVGWCXCHP-DLBZAZTESA-N 1 2 359.470 2.568 20 30 FFEDLO C=C(C)C[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C(=O)OCC ZINC000881755783 1006206539 /nfs/dbraw/zinc/20/65/39/1006206539.db2.gz PLPFYZHKSZKTQU-IRXDYDNUSA-N 1 2 355.438 2.946 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3cccc(CC)c3)C[C@H]21 ZINC001187714986 1006212216 /nfs/dbraw/zinc/21/22/16/1006212216.db2.gz XSAGJVHWQLLWAC-AZUAARDMSA-N 1 2 367.493 2.524 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3cccc(CC)c3)C[C@H]21 ZINC001187714986 1006212228 /nfs/dbraw/zinc/21/22/28/1006212228.db2.gz XSAGJVHWQLLWAC-AZUAARDMSA-N 1 2 367.493 2.524 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1nccc(C#N)c1Cl)C[NH2+]C2(C)C ZINC001170757681 1006400097 /nfs/dbraw/zinc/40/00/97/1006400097.db2.gz ZUUQLFPCZSUSDY-UHFFFAOYSA-N 1 2 360.805 2.890 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC3CCCC3)[C@@H]2C1 ZINC001188238174 1006457207 /nfs/dbraw/zinc/45/72/07/1006457207.db2.gz WKKJTVBZRUZHBC-JKSUJKDBSA-N 1 2 371.319 2.635 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)COCC3CCCC3)[C@@H]2C1 ZINC001188238174 1006457214 /nfs/dbraw/zinc/45/72/14/1006457214.db2.gz WKKJTVBZRUZHBC-JKSUJKDBSA-N 1 2 371.319 2.635 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001188244776 1006459789 /nfs/dbraw/zinc/45/97/89/1006459789.db2.gz AWKQKYNNGBIESD-ROUUACIJSA-N 1 2 368.502 2.951 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001188244776 1006459794 /nfs/dbraw/zinc/45/97/94/1006459794.db2.gz AWKQKYNNGBIESD-ROUUACIJSA-N 1 2 368.502 2.951 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1nc(CCCC)no1 ZINC001135068054 1006654549 /nfs/dbraw/zinc/65/45/49/1006654549.db2.gz YSEXIOKXPYTGES-VYDXJSESSA-N 1 2 364.490 2.550 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3cccnc3Cl)CC2)cc1 ZINC000854248756 1006739839 /nfs/dbraw/zinc/73/98/39/1006739839.db2.gz ICUQUPZCLADXKO-UHFFFAOYSA-N 1 2 368.868 2.884 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3nnc(C)n3C3CC3)C[C@H]21 ZINC001188908445 1006798150 /nfs/dbraw/zinc/79/81/50/1006798150.db2.gz DFLGDYGIDSAICV-XYJFISCASA-N 1 2 357.502 2.556 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(C)n3C3CC3)C[C@H]21 ZINC001188908445 1006798162 /nfs/dbraw/zinc/79/81/62/1006798162.db2.gz DFLGDYGIDSAICV-XYJFISCASA-N 1 2 357.502 2.556 20 30 FFEDLO C=C(C)C[C@H](CO)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000883545027 1006853233 /nfs/dbraw/zinc/85/32/33/1006853233.db2.gz HJFUDTUHOVNXES-MJGOQNOKSA-N 1 2 356.470 2.868 20 30 FFEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000855496426 1007373360 /nfs/dbraw/zinc/37/33/60/1007373360.db2.gz LRBZXWJZBQBEDT-KRWDZBQOSA-N 1 2 367.449 2.735 20 30 FFEDLO C[C@H](c1ncccn1)[N@@H+]1C[C@@H]2CCN(C(=O)CC#Cc3ccccc3)[C@@H]2C1 ZINC001190289629 1007573188 /nfs/dbraw/zinc/57/31/88/1007573188.db2.gz GBJTZFVAFBTOCB-YZGWKJHDSA-N 1 2 360.461 2.512 20 30 FFEDLO C[C@H](c1ncccn1)[N@H+]1C[C@@H]2CCN(C(=O)CC#Cc3ccccc3)[C@@H]2C1 ZINC001190289629 1007573198 /nfs/dbraw/zinc/57/31/98/1007573198.db2.gz GBJTZFVAFBTOCB-YZGWKJHDSA-N 1 2 360.461 2.512 20 30 FFEDLO C#CC[C@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]21)c1ccccc1 ZINC001190501519 1007663528 /nfs/dbraw/zinc/66/35/28/1007663528.db2.gz SADVOXJWBLLGDE-SVFBPWRDSA-N 1 2 363.461 2.905 20 30 FFEDLO C#CC[C@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21)c1ccccc1 ZINC001190501519 1007663535 /nfs/dbraw/zinc/66/35/35/1007663535.db2.gz SADVOXJWBLLGDE-SVFBPWRDSA-N 1 2 363.461 2.905 20 30 FFEDLO Cn1c[nH+]cc1Cc1noc([C@@H](CCCC#N)NC(=O)OC(C)(C)C)n1 ZINC000818402059 1007916561 /nfs/dbraw/zinc/91/65/61/1007916561.db2.gz AKIFBFNCUCCJPS-CYBMUJFWSA-N 1 2 360.418 2.654 20 30 FFEDLO Cn1c[nH+]cc1Cc1noc([C@H](CCCC#N)NC(=O)OC(C)(C)C)n1 ZINC000818402060 1007916877 /nfs/dbraw/zinc/91/68/77/1007916877.db2.gz AKIFBFNCUCCJPS-ZDUSSCGKSA-N 1 2 360.418 2.654 20 30 FFEDLO Cc1cc(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cc(C)[nH+]1 ZINC000819575965 1008179248 /nfs/dbraw/zinc/17/92/48/1008179248.db2.gz KCLBYWQVLNMRJC-MRXNPFEDSA-N 1 2 360.458 2.902 20 30 FFEDLO Cc1ccc(O[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)nc1 ZINC000858032742 1008282861 /nfs/dbraw/zinc/28/28/61/1008282861.db2.gz MXDTZNTWNWTLBZ-WBVHZDCISA-N 1 2 350.422 2.742 20 30 FFEDLO Cc1ccc(O[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)nc1 ZINC000858032742 1008282864 /nfs/dbraw/zinc/28/28/64/1008282864.db2.gz MXDTZNTWNWTLBZ-WBVHZDCISA-N 1 2 350.422 2.742 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccc(OC)cc3)no2)C[C@H]1C ZINC001206501818 1032315477 /nfs/dbraw/zinc/31/54/77/1032315477.db2.gz HQHBBWIHJPLMAJ-RHSMWYFYSA-N 1 2 370.453 2.648 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccc(OC)cc3)no2)C[C@H]1C ZINC001206501818 1032315486 /nfs/dbraw/zinc/31/54/86/1032315486.db2.gz HQHBBWIHJPLMAJ-RHSMWYFYSA-N 1 2 370.453 2.648 20 30 FFEDLO C#CC[C@H]1CC[N@@H+]([C@@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)C1 ZINC000886360270 1008648578 /nfs/dbraw/zinc/64/85/78/1008648578.db2.gz SNGLEDHUOOYVNF-STQMWFEESA-N 1 2 373.478 2.876 20 30 FFEDLO C#CC[C@H]1CC[N@H+]([C@@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)C1 ZINC000886360270 1008648589 /nfs/dbraw/zinc/64/85/89/1008648589.db2.gz SNGLEDHUOOYVNF-STQMWFEESA-N 1 2 373.478 2.876 20 30 FFEDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)[C@@H](C#N)Cc2cccs2)CC1 ZINC001177907515 1008778734 /nfs/dbraw/zinc/77/87/34/1008778734.db2.gz BCNIGAAOWVGMOH-OAHLLOKOSA-N 1 2 354.479 2.899 20 30 FFEDLO C[C@@H](C[N@H+](C)CC(=O)N(CCC#N)c1ccccc1)NC(=O)OC(C)(C)C ZINC000860098728 1008835045 /nfs/dbraw/zinc/83/50/45/1008835045.db2.gz ZXJGKBGYSOVEFN-INIZCTEOSA-N 1 2 374.485 2.778 20 30 FFEDLO C[C@@H](C[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1)NC(=O)OC(C)(C)C ZINC000860098728 1008835058 /nfs/dbraw/zinc/83/50/58/1008835058.db2.gz ZXJGKBGYSOVEFN-INIZCTEOSA-N 1 2 374.485 2.778 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(CCC#N)cc2)c2cc(F)ccc2C[NH2+]1 ZINC000886886273 1008911951 /nfs/dbraw/zinc/91/19/51/1008911951.db2.gz BWKQTONZDITJSH-CQSZACIVSA-N 1 2 373.453 2.969 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000139695226 1008989869 /nfs/dbraw/zinc/98/98/69/1008989869.db2.gz FZIVXVUHZNHQQF-MRXNPFEDSA-N 1 2 362.433 2.869 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000139695226 1008989888 /nfs/dbraw/zinc/98/98/88/1008989888.db2.gz FZIVXVUHZNHQQF-MRXNPFEDSA-N 1 2 362.433 2.869 20 30 FFEDLO COC(=O)c1cc(-c2ccc(C[NH+]3CCOCC3)cc2F)ccc1C#N ZINC001206734261 1032403734 /nfs/dbraw/zinc/40/37/34/1032403734.db2.gz YZRBNLFISQGTGK-UHFFFAOYSA-N 1 2 354.381 2.983 20 30 FFEDLO COC(=O)c1ccc(OC)c(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC001137247708 1009679292 /nfs/dbraw/zinc/67/92/92/1009679292.db2.gz QCZKVABXBUGVEU-UHFFFAOYSA-N 1 2 365.433 2.676 20 30 FFEDLO N#Cc1ccccc1N1CCC(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC001180507003 1009729167 /nfs/dbraw/zinc/72/91/67/1009729167.db2.gz JMTWJMFFFYKBMK-SFHVURJKSA-N 1 2 363.465 2.904 20 30 FFEDLO N#Cc1ccccc1N1CCC(C(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC001180508140 1009729262 /nfs/dbraw/zinc/72/92/62/1009729262.db2.gz VNLMRSXJJNMJIH-UHFFFAOYSA-N 1 2 363.465 2.835 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(OC4CC4)c3F)CC2)cn1 ZINC000862423486 1009836584 /nfs/dbraw/zinc/83/65/84/1009836584.db2.gz VMJRCIZAROCAKZ-UHFFFAOYSA-N 1 2 352.413 2.956 20 30 FFEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)c(F)cc1F)CC2 ZINC001276494921 1032442098 /nfs/dbraw/zinc/44/20/98/1032442098.db2.gz DIDLDGPXZPWBLN-ZDUSSCGKSA-N 1 2 352.812 2.970 20 30 FFEDLO COC[C@H](C)[N@H+](Cn1nc(CC#N)n(C)c1=S)[C@@H]1CCc2ccccc21 ZINC000863338923 1010186345 /nfs/dbraw/zinc/18/63/45/1010186345.db2.gz XVUGMZUSQIHKKO-WMLDXEAASA-N 1 2 371.510 2.999 20 30 FFEDLO COC[C@H](C)[N@@H+](Cn1nc(CC#N)n(C)c1=S)[C@@H]1CCc2ccccc21 ZINC000863338923 1010186352 /nfs/dbraw/zinc/18/63/52/1010186352.db2.gz XVUGMZUSQIHKKO-WMLDXEAASA-N 1 2 371.510 2.999 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(CC)cc2)C[C@H]1C ZINC001206884867 1032480101 /nfs/dbraw/zinc/48/01/01/1032480101.db2.gz IZKKFIUSAFGBBQ-YLJYHZDGSA-N 1 2 369.509 2.818 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(CC)cc2)C[C@H]1C ZINC001206884867 1032480104 /nfs/dbraw/zinc/48/01/04/1032480104.db2.gz IZKKFIUSAFGBBQ-YLJYHZDGSA-N 1 2 369.509 2.818 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C)CN1CCN(c2ccccn2)CC1)c1cccc(C#N)c1O ZINC000866270027 1010966484 /nfs/dbraw/zinc/96/64/84/1010966484.db2.gz RDKPPWNVDKYRIB-DLBZAZTESA-N 1 2 365.481 2.520 20 30 FFEDLO C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cccc(C#N)c1O ZINC000866370063 1010984572 /nfs/dbraw/zinc/98/45/72/1010984572.db2.gz RFICRDPPGRWAJH-ZFWWWQNUSA-N 1 2 361.442 2.550 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2Cc3c(OC)ccc(OC)c3[C@H](O)C2)cc1 ZINC000121107505 1011009584 /nfs/dbraw/zinc/00/95/84/1011009584.db2.gz PLBQYARGBMNNAA-GOSISDBHSA-N 1 2 353.418 2.765 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2Cc3c(OC)ccc(OC)c3[C@H](O)C2)cc1 ZINC000121107505 1011009587 /nfs/dbraw/zinc/00/95/87/1011009587.db2.gz PLBQYARGBMNNAA-GOSISDBHSA-N 1 2 353.418 2.765 20 30 FFEDLO CCCCCC#CC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1ccc[nH]1)CCO2 ZINC001274439786 1011444632 /nfs/dbraw/zinc/44/46/32/1011444632.db2.gz WUMFIIKELDQJMN-OAQYLSRUSA-N 1 2 357.498 2.792 20 30 FFEDLO CCCCCC#CC(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1ccc[nH]1)CCO2 ZINC001274439786 1011444637 /nfs/dbraw/zinc/44/46/37/1011444637.db2.gz WUMFIIKELDQJMN-OAQYLSRUSA-N 1 2 357.498 2.792 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCC[C@H](CC#N)C3)C2)c1 ZINC000869098121 1011607826 /nfs/dbraw/zinc/60/78/26/1011607826.db2.gz RYTBRUXEGPGSPA-UYAOXDASSA-N 1 2 370.497 2.531 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCC[C@H](CC#N)C3)C2)c1 ZINC000869098121 1011607834 /nfs/dbraw/zinc/60/78/34/1011607834.db2.gz RYTBRUXEGPGSPA-UYAOXDASSA-N 1 2 370.497 2.531 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCC[C@H](CC#N)C3)C2)cc1 ZINC000869099959 1011610565 /nfs/dbraw/zinc/61/05/65/1011610565.db2.gz AZDIARGLMVKNBH-UYAOXDASSA-N 1 2 370.497 2.531 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCC[C@H](CC#N)C3)C2)cc1 ZINC000869099959 1011610572 /nfs/dbraw/zinc/61/05/72/1011610572.db2.gz AZDIARGLMVKNBH-UYAOXDASSA-N 1 2 370.497 2.531 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@H](C)CCO[C@H](C)CC ZINC001172331720 1011768106 /nfs/dbraw/zinc/76/81/06/1011768106.db2.gz RJLNIUJARRDCBU-JFIYKMOQSA-N 1 2 350.507 2.994 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@H](C)CCO[C@H](C)CC ZINC001172331720 1011768113 /nfs/dbraw/zinc/76/81/13/1011768113.db2.gz RJLNIUJARRDCBU-JFIYKMOQSA-N 1 2 350.507 2.994 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3c(F)cccc3Cl)C2)OCC1=O ZINC001275207732 1012080313 /nfs/dbraw/zinc/08/03/13/1012080313.db2.gz ZGZYKALDHCCQHF-SFHVURJKSA-N 1 2 352.837 2.859 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3c(F)cccc3Cl)C2)OCC1=O ZINC001275207732 1012080330 /nfs/dbraw/zinc/08/03/30/1012080330.db2.gz ZGZYKALDHCCQHF-SFHVURJKSA-N 1 2 352.837 2.859 20 30 FFEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001172886597 1012087655 /nfs/dbraw/zinc/08/76/55/1012087655.db2.gz MQOVDOLRPOCSCP-KRWDZBQOSA-N 1 2 368.518 2.526 20 30 FFEDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C#N)ccc1Cl ZINC001275235176 1012116676 /nfs/dbraw/zinc/11/66/76/1012116676.db2.gz YKSHCHCWMAMKNF-NXOUGTEYSA-N 1 2 359.857 2.754 20 30 FFEDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(C#N)ccc1Cl ZINC001275235176 1012116686 /nfs/dbraw/zinc/11/66/86/1012116686.db2.gz YKSHCHCWMAMKNF-NXOUGTEYSA-N 1 2 359.857 2.754 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCC[C@H]2c2ncccn2)C[C@H]1C#N ZINC001172994046 1012197401 /nfs/dbraw/zinc/19/74/01/1012197401.db2.gz QLVCXSLEJGAZSP-PMPSAXMXSA-N 1 2 357.458 2.905 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CCC[C@H]2c2ncccn2)C[C@H]1C#N ZINC001172994046 1012197412 /nfs/dbraw/zinc/19/74/12/1012197412.db2.gz QLVCXSLEJGAZSP-PMPSAXMXSA-N 1 2 357.458 2.905 20 30 FFEDLO C=CCCCCCC[N@@H+]1C[C@]2(F)CN(Cc3ncccn3)C(=O)[C@]2(F)C1 ZINC001275329634 1012313417 /nfs/dbraw/zinc/31/34/17/1012313417.db2.gz BXNAIMKMTAUFNR-RBUKOAKNSA-N 1 2 364.440 2.688 20 30 FFEDLO C=CCCCCCC[N@H+]1C[C@]2(F)CN(Cc3ncccn3)C(=O)[C@]2(F)C1 ZINC001275329634 1012313435 /nfs/dbraw/zinc/31/34/35/1012313435.db2.gz BXNAIMKMTAUFNR-RBUKOAKNSA-N 1 2 364.440 2.688 20 30 FFEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3[nH]nc4ccc(Cl)cc43)C2)OCC1=O ZINC001275460615 1012489740 /nfs/dbraw/zinc/48/97/40/1012489740.db2.gz NQUUOBMILXAOIX-LJQANCHMSA-N 1 2 374.872 2.596 20 30 FFEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3[nH]nc4ccc(Cl)cc43)C2)OCC1=O ZINC001275460615 1012489748 /nfs/dbraw/zinc/48/97/48/1012489748.db2.gz NQUUOBMILXAOIX-LJQANCHMSA-N 1 2 374.872 2.596 20 30 FFEDLO C=CCCCC[N@H+]1C[C@]2(F)CN(Cc3csc(C)n3)C(=O)[C@]2(F)C1 ZINC001276356851 1012504035 /nfs/dbraw/zinc/50/40/35/1012504035.db2.gz HWKOYYBQRCKDEF-DLBZAZTESA-N 1 2 355.454 2.882 20 30 FFEDLO C=CCCCC[N@@H+]1C[C@]2(F)CN(Cc3csc(C)n3)C(=O)[C@]2(F)C1 ZINC001276356851 1012504048 /nfs/dbraw/zinc/50/40/48/1012504048.db2.gz HWKOYYBQRCKDEF-DLBZAZTESA-N 1 2 355.454 2.882 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)[C@H]1CCCO1 ZINC001095149187 1012556886 /nfs/dbraw/zinc/55/68/86/1012556886.db2.gz PRZXFFPTNYHZNT-YDZRNGNQSA-N 1 2 358.869 2.592 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)[C@H]1CCCO1 ZINC001095149187 1012556899 /nfs/dbraw/zinc/55/68/99/1012556899.db2.gz PRZXFFPTNYHZNT-YDZRNGNQSA-N 1 2 358.869 2.592 20 30 FFEDLO Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)n1C ZINC001095168810 1012592285 /nfs/dbraw/zinc/59/22/85/1012592285.db2.gz RMFKTIGLWPSKSP-AABGKKOBSA-N 1 2 365.452 2.859 20 30 FFEDLO Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)n1C ZINC001095168810 1012592292 /nfs/dbraw/zinc/59/22/92/1012592292.db2.gz RMFKTIGLWPSKSP-AABGKKOBSA-N 1 2 365.452 2.859 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2O)C3)s1 ZINC001095188511 1012673678 /nfs/dbraw/zinc/67/36/78/1012673678.db2.gz JYWIMJIILKHBIX-DQYPLSBCSA-N 1 2 353.447 2.861 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2O)C3)s1 ZINC001095188511 1012673684 /nfs/dbraw/zinc/67/36/84/1012673684.db2.gz JYWIMJIILKHBIX-DQYPLSBCSA-N 1 2 353.447 2.861 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(F)cc1F)C2 ZINC001275663115 1012791673 /nfs/dbraw/zinc/79/16/73/1012791673.db2.gz RGHLOXLZDBBRPQ-IBGZPJMESA-N 1 2 350.409 2.592 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(F)cc1F)C2 ZINC001275663115 1012791689 /nfs/dbraw/zinc/79/16/89/1012791689.db2.gz RGHLOXLZDBBRPQ-IBGZPJMESA-N 1 2 350.409 2.592 20 30 FFEDLO CC(C)(C)c1ccc(C[NH+]2CC3(C2)COCC(=O)N3CCCC#N)cc1 ZINC001275683989 1012853401 /nfs/dbraw/zinc/85/34/01/1012853401.db2.gz UZOPECJHZOEHIZ-UHFFFAOYSA-N 1 2 355.482 2.701 20 30 FFEDLO C=CC[C@H]([NH2+]C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1)C(=O)OC ZINC001173770495 1012963711 /nfs/dbraw/zinc/96/37/11/1012963711.db2.gz CEYYZHSRJHQSFO-INIZCTEOSA-N 1 2 368.836 2.791 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(C)nc1)c1ccccc1 ZINC001111443866 1017142655 /nfs/dbraw/zinc/14/26/55/1017142655.db2.gz ZDEDCSLLWYFAIU-NCYKPQTJSA-N 1 2 362.477 2.976 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(C)nc1)c1ccccc1 ZINC001111443866 1017142665 /nfs/dbraw/zinc/14/26/65/1017142665.db2.gz ZDEDCSLLWYFAIU-NCYKPQTJSA-N 1 2 362.477 2.976 20 30 FFEDLO CCCCC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC001217305933 1032684927 /nfs/dbraw/zinc/68/49/27/1032684927.db2.gz MEKZLHFMOGXFFW-RBUKOAKNSA-N 1 2 360.885 2.793 20 30 FFEDLO CCCCC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC001217305933 1032684934 /nfs/dbraw/zinc/68/49/34/1032684934.db2.gz MEKZLHFMOGXFFW-RBUKOAKNSA-N 1 2 360.885 2.793 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nc(C)[nH+]c(C)c2C)cc1 ZINC001055427597 1017478554 /nfs/dbraw/zinc/47/85/54/1017478554.db2.gz RZSHAPACPOIKGG-AQNXPRMDSA-N 1 2 360.461 2.923 20 30 FFEDLO COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)cn1 ZINC001097484728 1017528654 /nfs/dbraw/zinc/52/86/54/1017528654.db2.gz HGMGZGJCPIXUCH-XYPHTWIQSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)cn1 ZINC001097484728 1017528664 /nfs/dbraw/zinc/52/86/64/1017528664.db2.gz HGMGZGJCPIXUCH-XYPHTWIQSA-N 1 2 368.462 2.559 20 30 FFEDLO Cc1nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc4c[nH+]ccc4[nH]2)C3)ccc1C#N ZINC001055471452 1017570638 /nfs/dbraw/zinc/57/06/38/1017570638.db2.gz WLORQUIVQRXKGP-SUMDDJOVSA-N 1 2 372.432 2.678 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(Br)c1)C2 ZINC001097556660 1017613886 /nfs/dbraw/zinc/61/38/86/1017613886.db2.gz HCVGNDFKYOAJJK-UTUOFQBUSA-N 1 2 358.667 2.865 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(Br)c1)C2 ZINC001097556660 1017613889 /nfs/dbraw/zinc/61/38/89/1017613889.db2.gz HCVGNDFKYOAJJK-UTUOFQBUSA-N 1 2 358.667 2.865 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](Cc2ccnc(C)c2)Cc2nnn(CC3CC3)c21 ZINC001137409900 1017973328 /nfs/dbraw/zinc/97/33/28/1017973328.db2.gz LTDGONQEUADZDV-SFHVURJKSA-N 1 2 353.470 2.694 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](Cc2ccnc(C)c2)Cc2nnn(CC3CC3)c21 ZINC001137409900 1017973339 /nfs/dbraw/zinc/97/33/39/1017973339.db2.gz LTDGONQEUADZDV-SFHVURJKSA-N 1 2 353.470 2.694 20 30 FFEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)O2 ZINC001053659051 1018403819 /nfs/dbraw/zinc/40/38/19/1018403819.db2.gz KKNQERRTWNZYTJ-RRFJBIMHSA-N 1 2 362.420 2.604 20 30 FFEDLO C=CC1(CC(=O)N2CCNc3[nH+]cc(C)cc32)CN(C(=O)OC(C)(C)C)C1 ZINC000827560415 1018479593 /nfs/dbraw/zinc/47/95/93/1018479593.db2.gz SGXRWBBBMHEQKJ-UHFFFAOYSA-N 1 2 372.469 2.962 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1noc2c1CCCC2 ZINC001110925029 1018563057 /nfs/dbraw/zinc/56/30/57/1018563057.db2.gz DWBQKUNXIOPMEL-SUMDDJOVSA-N 1 2 355.482 2.969 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1noc2c1CCCC2 ZINC001110925029 1018563068 /nfs/dbraw/zinc/56/30/68/1018563068.db2.gz DWBQKUNXIOPMEL-SUMDDJOVSA-N 1 2 355.482 2.969 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)CCC(=O)N3)C2 ZINC001095727739 1018658292 /nfs/dbraw/zinc/65/82/92/1018658292.db2.gz NVPNNHRACYOOOE-PVAVHDDUSA-N 1 2 359.857 2.659 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)CCC(=O)N3)C2 ZINC001095727739 1018658300 /nfs/dbraw/zinc/65/83/00/1018658300.db2.gz NVPNNHRACYOOOE-PVAVHDDUSA-N 1 2 359.857 2.659 20 30 FFEDLO C=CCc1cc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cc(OC)c1OC ZINC000682482488 1018841777 /nfs/dbraw/zinc/84/17/77/1018841777.db2.gz CHVRXZOEMNJIHS-INIZCTEOSA-N 1 2 355.438 2.508 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000682528163 1018859056 /nfs/dbraw/zinc/85/90/56/1018859056.db2.gz QQCICZBCMHBPEA-HOCLYGCPSA-N 1 2 357.429 2.671 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000682528163 1018859074 /nfs/dbraw/zinc/85/90/74/1018859074.db2.gz QQCICZBCMHBPEA-HOCLYGCPSA-N 1 2 357.429 2.671 20 30 FFEDLO C=CCOc1ccc(CC(=O)N[C@@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2C)cc1 ZINC001042012140 1018924628 /nfs/dbraw/zinc/92/46/28/1018924628.db2.gz JEUGRILFZSATAV-DNVCBOLYSA-N 1 2 366.465 2.533 20 30 FFEDLO CCCCN(CCCC)C(=O)C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000801553696 1019107108 /nfs/dbraw/zinc/10/71/08/1019107108.db2.gz UCWOKOVUNKOGEX-UHFFFAOYSA-N 1 2 357.502 2.504 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC001042741803 1019131071 /nfs/dbraw/zinc/13/10/71/1019131071.db2.gz WOGDSTLVJQKEJU-RLLQIKCJSA-N 1 2 358.457 2.937 20 30 FFEDLO CC1(C)CN(c2cccc(F)c2C#N)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001068144138 1019235806 /nfs/dbraw/zinc/23/58/06/1019235806.db2.gz LIFZCARSKXYIRA-VFVRVIDISA-N 1 2 367.428 2.555 20 30 FFEDLO CC1(C)CN(c2cccc(F)c2C#N)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001068144138 1019235815 /nfs/dbraw/zinc/23/58/15/1019235815.db2.gz LIFZCARSKXYIRA-VFVRVIDISA-N 1 2 367.428 2.555 20 30 FFEDLO CC(C)[C@@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000929361964 1019387598 /nfs/dbraw/zinc/38/75/98/1019387598.db2.gz AFGQTBCBXDIEEU-PMACEKPBSA-N 1 2 355.482 2.654 20 30 FFEDLO C#CCCCCC(=O)N1CCC(CC)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001069317289 1019430601 /nfs/dbraw/zinc/43/06/01/1019430601.db2.gz RJUUWNOPVGIZEI-IAGOWNOFSA-N 1 2 370.497 2.594 20 30 FFEDLO C#CCCCCC(=O)N1CCC(CC)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001069317289 1019430609 /nfs/dbraw/zinc/43/06/09/1019430609.db2.gz RJUUWNOPVGIZEI-IAGOWNOFSA-N 1 2 370.497 2.594 20 30 FFEDLO Cc1cc(C)c(C(=O)NC[C@H]2CC[C@@H](Nc3ccc(C#N)nn3)C2)c(C)[nH+]1 ZINC001047617184 1019452689 /nfs/dbraw/zinc/45/26/89/1019452689.db2.gz PKLHDZZKWHYYMH-JKSUJKDBSA-N 1 2 364.453 2.679 20 30 FFEDLO COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)o1 ZINC001098095229 1019463557 /nfs/dbraw/zinc/46/35/57/1019463557.db2.gz GBVMANZTFXJVBW-OIISXLGYSA-N 1 2 369.396 2.834 20 30 FFEDLO COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)o1 ZINC001098095229 1019463569 /nfs/dbraw/zinc/46/35/69/1019463569.db2.gz GBVMANZTFXJVBW-OIISXLGYSA-N 1 2 369.396 2.834 20 30 FFEDLO C=CCCCN(CC)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000929500229 1019465500 /nfs/dbraw/zinc/46/55/00/1019465500.db2.gz RPQMQJIVLPUMTN-UHFFFAOYSA-N 1 2 358.486 2.894 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(C(F)F)c1)C2 ZINC001096244781 1019581336 /nfs/dbraw/zinc/58/13/36/1019581336.db2.gz XOEFRAXXOFVADW-IKGGRYGDSA-N 1 2 371.391 2.685 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(C(F)F)c1)C2 ZINC001096244781 1019581352 /nfs/dbraw/zinc/58/13/52/1019581352.db2.gz XOEFRAXXOFVADW-IKGGRYGDSA-N 1 2 371.391 2.685 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](Cc2cccc(OCCC)c2)C1 ZINC001043922643 1019604174 /nfs/dbraw/zinc/60/41/74/1019604174.db2.gz GJBVTGHKNWYZQW-UXHICEINSA-N 1 2 358.482 2.709 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001044037799 1019640980 /nfs/dbraw/zinc/64/09/80/1019640980.db2.gz OAELGOBCJWZTGG-SFTDATJTSA-N 1 2 354.494 2.799 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCN(CC)c1nc(C)[nH+]c(C)c1C ZINC001095977354 1019676088 /nfs/dbraw/zinc/67/60/88/1019676088.db2.gz YURIMPKXEZCNQF-ROUUACIJSA-N 1 2 360.502 2.716 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F)C(C)C ZINC001110984398 1019945616 /nfs/dbraw/zinc/94/56/16/1019945616.db2.gz GHXWEMLXYRSKIG-OQIJWPOYSA-N 1 2 359.445 2.590 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F)C(C)C ZINC001110984398 1019945626 /nfs/dbraw/zinc/94/56/26/1019945626.db2.gz GHXWEMLXYRSKIG-OQIJWPOYSA-N 1 2 359.445 2.590 20 30 FFEDLO Cc1conc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001096292778 1019949527 /nfs/dbraw/zinc/94/95/27/1019949527.db2.gz LIOOYPOOIQISCI-SQNIBIBYSA-N 1 2 353.397 2.509 20 30 FFEDLO Cc1conc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001096292778 1019949533 /nfs/dbraw/zinc/94/95/33/1019949533.db2.gz LIOOYPOOIQISCI-SQNIBIBYSA-N 1 2 353.397 2.509 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)[nH]1 ZINC001096028873 1020007824 /nfs/dbraw/zinc/00/78/24/1020007824.db2.gz XOXPUOPABARDRI-NJAFHUGGSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)[nH]1 ZINC001096028873 1020007834 /nfs/dbraw/zinc/00/78/34/1020007834.db2.gz XOXPUOPABARDRI-NJAFHUGGSA-N 1 2 367.428 2.573 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(F)c1 ZINC001096034601 1020020347 /nfs/dbraw/zinc/02/03/47/1020020347.db2.gz JQQQPWNCKBKMNC-CUDZTTRCSA-N 1 2 362.420 2.777 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(F)c1 ZINC001096034601 1020020358 /nfs/dbraw/zinc/02/03/58/1020020358.db2.gz JQQQPWNCKBKMNC-CUDZTTRCSA-N 1 2 362.420 2.777 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001045560730 1020026104 /nfs/dbraw/zinc/02/61/04/1020026104.db2.gz UTQBFTRRXAKYSS-MOPGFXCFSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1nccs1)C2 ZINC001073045916 1020347249 /nfs/dbraw/zinc/34/72/49/1020347249.db2.gz CWZBOZPSONCOQD-RDJZCZTQSA-N 1 2 361.511 2.549 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1nccs1)C2 ZINC001073045916 1020347260 /nfs/dbraw/zinc/34/72/60/1020347260.db2.gz CWZBOZPSONCOQD-RDJZCZTQSA-N 1 2 361.511 2.549 20 30 FFEDLO N#Cc1ccc(N2CCC(C(=O)O[C@@H]3CC[N@@H+](CCF)C3)CC2)c(F)c1 ZINC000802821939 1020431370 /nfs/dbraw/zinc/43/13/70/1020431370.db2.gz UTHYDGMZGBUIRD-MRXNPFEDSA-N 1 2 363.408 2.501 20 30 FFEDLO N#Cc1ccc(N2CCC(C(=O)O[C@@H]3CC[N@H+](CCF)C3)CC2)c(F)c1 ZINC000802821939 1020431374 /nfs/dbraw/zinc/43/13/74/1020431374.db2.gz UTHYDGMZGBUIRD-MRXNPFEDSA-N 1 2 363.408 2.501 20 30 FFEDLO N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CC[C@@H]2c2ccccc2)C1=O ZINC000726586030 1020488418 /nfs/dbraw/zinc/48/84/18/1020488418.db2.gz DTTLHMQJEOCKQU-LJQANCHMSA-N 1 2 360.417 2.727 20 30 FFEDLO N#Cc1ccccc1CN1C(=O)CN(C[N@H+]2CC[C@@H]2c2ccccc2)C1=O ZINC000726586030 1020488427 /nfs/dbraw/zinc/48/84/27/1020488427.db2.gz DTTLHMQJEOCKQU-LJQANCHMSA-N 1 2 360.417 2.727 20 30 FFEDLO CCc1nc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096449665 1020639614 /nfs/dbraw/zinc/63/96/14/1020639614.db2.gz UKGIEJXAOLBXPZ-JLSDUUJJSA-N 1 2 367.428 2.518 20 30 FFEDLO CCc1nc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096449665 1020639619 /nfs/dbraw/zinc/63/96/19/1020639619.db2.gz UKGIEJXAOLBXPZ-JLSDUUJJSA-N 1 2 367.428 2.518 20 30 FFEDLO Cc1nc([C@@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)no1 ZINC000931944475 1020639885 /nfs/dbraw/zinc/63/98/85/1020639885.db2.gz HFKGEYLFZCALOJ-GDBMZVCRSA-N 1 2 353.426 2.503 20 30 FFEDLO Cc1nc([C@@H]2CC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)no1 ZINC000931944475 1020639894 /nfs/dbraw/zinc/63/98/94/1020639894.db2.gz HFKGEYLFZCALOJ-GDBMZVCRSA-N 1 2 353.426 2.503 20 30 FFEDLO COc1cc2c(cc1OC)C1(CCC1)[N@H+](CC(=O)NC1(C#N)CCC1)CC2 ZINC000932083004 1020701273 /nfs/dbraw/zinc/70/12/73/1020701273.db2.gz AYRPJBDMECKLQL-UHFFFAOYSA-N 1 2 369.465 2.504 20 30 FFEDLO COc1cc2c(cc1OC)C1(CCC1)[N@@H+](CC(=O)NC1(C#N)CCC1)CC2 ZINC000932083004 1020701277 /nfs/dbraw/zinc/70/12/77/1020701277.db2.gz AYRPJBDMECKLQL-UHFFFAOYSA-N 1 2 369.465 2.504 20 30 FFEDLO Cn1ccc(C2CC[NH+](CC(=O)Nc3ccccc3SCC#N)CC2)n1 ZINC000932142650 1020722058 /nfs/dbraw/zinc/72/20/58/1020722058.db2.gz HDDDYFSIRAYNEQ-UHFFFAOYSA-N 1 2 369.494 2.854 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC001046632145 1020732106 /nfs/dbraw/zinc/73/21/06/1020732106.db2.gz SUVZWNKHPBGAHW-GQIGUUNPSA-N 1 2 371.437 2.606 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC001046632145 1020732111 /nfs/dbraw/zinc/73/21/11/1020732111.db2.gz SUVZWNKHPBGAHW-GQIGUUNPSA-N 1 2 371.437 2.606 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1coc(C2CC2)n1 ZINC001096115832 1020739581 /nfs/dbraw/zinc/73/95/81/1020739581.db2.gz FUHNVLORIRXFCK-HBFSDRIKSA-N 1 2 361.445 2.939 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1coc(C2CC2)n1 ZINC001096115832 1020739587 /nfs/dbraw/zinc/73/95/87/1020739587.db2.gz FUHNVLORIRXFCK-HBFSDRIKSA-N 1 2 361.445 2.939 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)sc2C)nc1 ZINC001098246852 1020759555 /nfs/dbraw/zinc/75/95/55/1020759555.db2.gz XQPLHXVPWPLCSO-SUMDDJOVSA-N 1 2 366.490 2.672 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)sc2C)nc1 ZINC001098246852 1020759561 /nfs/dbraw/zinc/75/95/61/1020759561.db2.gz XQPLHXVPWPLCSO-SUMDDJOVSA-N 1 2 366.490 2.672 20 30 FFEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)cc(C[NH+]3CCO[C@@H](C)CC3)c2)CCO1 ZINC000932337426 1020776424 /nfs/dbraw/zinc/77/64/24/1020776424.db2.gz RYUGPGYFOKTZGV-HDICACEKSA-N 1 2 357.498 2.780 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCO[C@@H]2C[N@@H+]([C@H](C)c3cnc(C)cn3)C[C@@H]21 ZINC001217989136 1032937639 /nfs/dbraw/zinc/93/76/39/1032937639.db2.gz ZQYOHVCYPSVLGK-LSTHTHJFSA-N 1 2 370.497 2.526 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCO[C@@H]2C[N@H+]([C@H](C)c3cnc(C)cn3)C[C@@H]21 ZINC001217989136 1032937651 /nfs/dbraw/zinc/93/76/51/1032937651.db2.gz ZQYOHVCYPSVLGK-LSTHTHJFSA-N 1 2 370.497 2.526 20 30 FFEDLO Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 ZINC000933624400 1021050854 /nfs/dbraw/zinc/05/08/54/1021050854.db2.gz IBCTUTATVUARCD-CTNGQTDRSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 ZINC000933624400 1021050862 /nfs/dbraw/zinc/05/08/62/1021050862.db2.gz IBCTUTATVUARCD-CTNGQTDRSA-N 1 2 352.434 2.680 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000933631423 1021055770 /nfs/dbraw/zinc/05/57/70/1021055770.db2.gz ZMKJWICLNJAVTC-RBUKOAKNSA-N 1 2 353.378 2.573 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000933631423 1021055774 /nfs/dbraw/zinc/05/57/74/1021055774.db2.gz ZMKJWICLNJAVTC-RBUKOAKNSA-N 1 2 353.378 2.573 20 30 FFEDLO CCOC(=O)[C@H](CCc1ccccc1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933644080 1021056197 /nfs/dbraw/zinc/05/61/97/1021056197.db2.gz JJIRVUPPUKJQAW-IBGZPJMESA-N 1 2 357.450 2.889 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2coc(C4CC4)n2)C3)c1 ZINC001098778352 1021135981 /nfs/dbraw/zinc/13/59/81/1021135981.db2.gz DWNKRSFKXAMKIY-YWZLYKJASA-N 1 2 365.437 2.536 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2coc(C4CC4)n2)C3)c1 ZINC001098778352 1021135984 /nfs/dbraw/zinc/13/59/84/1021135984.db2.gz DWNKRSFKXAMKIY-YWZLYKJASA-N 1 2 365.437 2.536 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001111072373 1021194073 /nfs/dbraw/zinc/19/40/73/1021194073.db2.gz JQNVYNOXIZLPFD-KURKYZTESA-N 1 2 373.541 2.615 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001111072373 1021194082 /nfs/dbraw/zinc/19/40/82/1021194082.db2.gz JQNVYNOXIZLPFD-KURKYZTESA-N 1 2 373.541 2.615 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934494741 1021261429 /nfs/dbraw/zinc/26/14/29/1021261429.db2.gz PGXHBUUIHZNJBX-YJBOKZPZSA-N 1 2 361.449 2.765 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934494741 1021261433 /nfs/dbraw/zinc/26/14/33/1021261433.db2.gz PGXHBUUIHZNJBX-YJBOKZPZSA-N 1 2 361.449 2.765 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001010770900 1021493298 /nfs/dbraw/zinc/49/32/98/1021493298.db2.gz PQOFVZHRUNFRBP-HZPDHXFCSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001010770900 1021493306 /nfs/dbraw/zinc/49/33/06/1021493306.db2.gz PQOFVZHRUNFRBP-HZPDHXFCSA-N 1 2 370.497 2.567 20 30 FFEDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)cc1 ZINC000039561468 1021652635 /nfs/dbraw/zinc/65/26/35/1021652635.db2.gz PIMKPBSIUPEAMG-QGZVFWFLSA-N 1 2 370.497 2.548 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC1CCCCC1)C2 ZINC001111094053 1021690767 /nfs/dbraw/zinc/69/07/67/1021690767.db2.gz MUTMEFIJMDDPDO-AITUJVMLSA-N 1 2 361.530 2.617 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC1CCCCC1)C2 ZINC001111094053 1021690777 /nfs/dbraw/zinc/69/07/77/1021690777.db2.gz MUTMEFIJMDDPDO-AITUJVMLSA-N 1 2 361.530 2.617 20 30 FFEDLO N#Cc1cccc(NC(=O)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c1 ZINC001202783788 1021725681 /nfs/dbraw/zinc/72/56/81/1021725681.db2.gz PXLJQZOJGZIFDG-KRWDZBQOSA-N 1 2 365.437 2.845 20 30 FFEDLO CS[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001099216226 1022103546 /nfs/dbraw/zinc/10/35/46/1022103546.db2.gz AZTTUXCNKKMEGK-KCPJHIHWSA-N 1 2 371.428 2.789 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C(C)(C)C)c1)C2 ZINC001111177559 1022225662 /nfs/dbraw/zinc/22/56/62/1022225662.db2.gz CQPOWTFYABVKKY-QRVBRYPASA-N 1 2 369.509 2.621 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C(C)(C)C)c1)C2 ZINC001111177559 1022225673 /nfs/dbraw/zinc/22/56/73/1022225673.db2.gz CQPOWTFYABVKKY-QRVBRYPASA-N 1 2 369.509 2.621 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3ccn(CC)n3)C2)C1 ZINC001099305407 1022262877 /nfs/dbraw/zinc/26/28/77/1022262877.db2.gz OADWXYOECQZUMF-HUUCEWRRSA-N 1 2 370.419 2.738 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cnc(-c2ccccc2)o1 ZINC001038714647 1022685184 /nfs/dbraw/zinc/68/51/84/1022685184.db2.gz RPXYJZIZDGALQZ-QRQLOZEOSA-N 1 2 367.449 2.623 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cnc(-c2ccccc2)o1 ZINC001038714647 1022685186 /nfs/dbraw/zinc/68/51/86/1022685186.db2.gz RPXYJZIZDGALQZ-QRQLOZEOSA-N 1 2 367.449 2.623 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001038731771 1022695154 /nfs/dbraw/zinc/69/51/54/1022695154.db2.gz LINQRMZCIAURMV-KZNAEPCWSA-N 1 2 365.433 2.654 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001038731771 1022695160 /nfs/dbraw/zinc/69/51/60/1022695160.db2.gz LINQRMZCIAURMV-KZNAEPCWSA-N 1 2 365.433 2.654 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001099744165 1022799560 /nfs/dbraw/zinc/79/95/60/1022799560.db2.gz CJRIUBCYYBUKHP-XKQJLSEDSA-N 1 2 358.486 2.950 20 30 FFEDLO C#Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000048910543 1022830950 /nfs/dbraw/zinc/83/09/50/1022830950.db2.gz ONATUECGXGDQEJ-SFHVURJKSA-N 1 2 369.852 2.679 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001040358147 1022835169 /nfs/dbraw/zinc/83/51/69/1022835169.db2.gz NVGYTYDHUSKKAL-DFYYWFRZSA-N 1 2 358.486 2.663 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc(C[NH+]2CCCC2)n1CCOC ZINC001122357596 1023214211 /nfs/dbraw/zinc/21/42/11/1023214211.db2.gz GZIHDADTPJSAGJ-UHFFFAOYSA-N 1 2 355.486 2.713 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@@H]1C[C@H](OC)C12CCC2 ZINC001122490332 1023301690 /nfs/dbraw/zinc/30/16/90/1023301690.db2.gz KBAYTIHWEGRLEE-CVEARBPZSA-N 1 2 370.501 2.572 20 30 FFEDLO C=C(C)Cn1c([C@H](O)C(C)C)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001122508745 1023310629 /nfs/dbraw/zinc/31/06/29/1023310629.db2.gz NDUSGKHCFFVKLY-QGZVFWFLSA-N 1 2 370.501 2.567 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](c2noc(C)n2)C1 ZINC001122536585 1023326391 /nfs/dbraw/zinc/32/63/91/1023326391.db2.gz HKWSBFKEOMSHAC-HZPDHXFCSA-N 1 2 371.489 2.696 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](c2noc(C)n2)C1 ZINC001122536585 1023326396 /nfs/dbraw/zinc/32/63/96/1023326396.db2.gz HKWSBFKEOMSHAC-HZPDHXFCSA-N 1 2 371.489 2.696 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H](C(C)(C)O)C1 ZINC001122536941 1023326457 /nfs/dbraw/zinc/32/64/57/1023326457.db2.gz OKRLXJNUMBPDHT-KRWDZBQOSA-N 1 2 361.534 2.827 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)COc2cc(C)cc(C)c2)c1 ZINC000076748882 1023361441 /nfs/dbraw/zinc/36/14/41/1023361441.db2.gz SVNKGWVRBBLYDY-HXUWFJFHSA-N 1 2 366.461 2.595 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)COc2cc(C)cc(C)c2)c1 ZINC000076748882 1023361451 /nfs/dbraw/zinc/36/14/51/1023361451.db2.gz SVNKGWVRBBLYDY-HXUWFJFHSA-N 1 2 366.461 2.595 20 30 FFEDLO C[C@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000753829791 1023387154 /nfs/dbraw/zinc/38/71/54/1023387154.db2.gz LBYZQTRPKOEDIY-QDEZUTFSSA-N 1 2 359.470 2.588 20 30 FFEDLO C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC[N@H+]3C)n2Cc2cccs2)C1 ZINC001122913964 1023550812 /nfs/dbraw/zinc/55/08/12/1023550812.db2.gz CDUJSFHNYXNEOB-NVXWUHKLSA-N 1 2 373.526 2.936 20 30 FFEDLO C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC[N@@H+]3C)n2Cc2cccs2)C1 ZINC001122913964 1023550815 /nfs/dbraw/zinc/55/08/15/1023550815.db2.gz CDUJSFHNYXNEOB-NVXWUHKLSA-N 1 2 373.526 2.936 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC[N@@H+]2C)n1C[C@@H]1CCOC1 ZINC001123114416 1023641609 /nfs/dbraw/zinc/64/16/09/1023641609.db2.gz VJOLVQBIHLDQES-ROUUACIJSA-N 1 2 374.533 2.847 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC[N@H+]2C)n1C[C@@H]1CCOC1 ZINC001123114416 1023641614 /nfs/dbraw/zinc/64/16/14/1023641614.db2.gz VJOLVQBIHLDQES-ROUUACIJSA-N 1 2 374.533 2.847 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](C)CCOc2ccccc2OC)c1C#N ZINC000756486814 1023717797 /nfs/dbraw/zinc/71/77/97/1023717797.db2.gz RASXJUWRKKRINO-UHFFFAOYSA-N 1 2 354.406 2.864 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](C)CCOc2ccccc2OC)c1C#N ZINC000756486814 1023717803 /nfs/dbraw/zinc/71/78/03/1023717803.db2.gz RASXJUWRKKRINO-UHFFFAOYSA-N 1 2 354.406 2.864 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001121495564 1023810013 /nfs/dbraw/zinc/81/00/13/1023810013.db2.gz LPCDVRZWWLQBOC-GJZGRUSLSA-N 1 2 369.460 2.870 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001121495564 1023810014 /nfs/dbraw/zinc/81/00/14/1023810014.db2.gz LPCDVRZWWLQBOC-GJZGRUSLSA-N 1 2 369.460 2.870 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C(C)C)nc2C)CC1 ZINC000950590205 1023869991 /nfs/dbraw/zinc/86/99/91/1023869991.db2.gz DOMSMDILPHTEMR-QUCCMNQESA-N 1 2 357.498 2.749 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2[C@H](C)CCC)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121606684 1023878134 /nfs/dbraw/zinc/87/81/34/1023878134.db2.gz BQWRBQOMPBKTRL-VIPLHTEESA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2[C@H](C)CCC)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121606684 1023878143 /nfs/dbraw/zinc/87/81/43/1023878143.db2.gz BQWRBQOMPBKTRL-VIPLHTEESA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)[C@@H](C)c1ccccc1F ZINC001121609282 1023878803 /nfs/dbraw/zinc/87/88/03/1023878803.db2.gz KGVZOGJAVGLZKB-ZQIUZPCESA-N 1 2 359.449 2.538 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)[C@@H](C)c1ccccc1F ZINC001121609282 1023878809 /nfs/dbraw/zinc/87/88/09/1023878809.db2.gz KGVZOGJAVGLZKB-ZQIUZPCESA-N 1 2 359.449 2.538 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)[C@@H](C)c1ccccc1F ZINC001121609279 1023878918 /nfs/dbraw/zinc/87/89/18/1023878918.db2.gz KGVZOGJAVGLZKB-VBQJREDUSA-N 1 2 359.449 2.538 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)[C@@H](C)c1ccccc1F ZINC001121609279 1023878926 /nfs/dbraw/zinc/87/89/26/1023878926.db2.gz KGVZOGJAVGLZKB-VBQJREDUSA-N 1 2 359.449 2.538 20 30 FFEDLO C=CCn1c(N2CC[C@H](CC(C)(C)C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121708621 1023938812 /nfs/dbraw/zinc/93/88/12/1023938812.db2.gz NDKQSDSXKFKPDW-JXXFODFXSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CC[C@H](CC(C)(C)C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121708621 1023938818 /nfs/dbraw/zinc/93/88/18/1023938818.db2.gz NDKQSDSXKFKPDW-JXXFODFXSA-N 1 2 361.534 2.638 20 30 FFEDLO COc1cc(C[N@H+](C)Cn2ccc(C)c(C#N)c2=O)ccc1OC(F)F ZINC000758180835 1023949142 /nfs/dbraw/zinc/94/91/42/1023949142.db2.gz IBNIRYGCIGVZNV-UHFFFAOYSA-N 1 2 363.364 2.728 20 30 FFEDLO COc1cc(C[N@@H+](C)Cn2ccc(C)c(C#N)c2=O)ccc1OC(F)F ZINC000758180835 1023949146 /nfs/dbraw/zinc/94/91/46/1023949146.db2.gz IBNIRYGCIGVZNV-UHFFFAOYSA-N 1 2 363.364 2.728 20 30 FFEDLO CC1=CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)C1 ZINC001123727463 1023970064 /nfs/dbraw/zinc/97/00/64/1023970064.db2.gz ADKRQJYCFNHSLH-UHFFFAOYSA-N 1 2 354.502 2.938 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2C[N@H+](Cc3noc(-c4ccccc4)n3)C[C@@]2(C)C1 ZINC001101165399 1023981011 /nfs/dbraw/zinc/98/10/11/1023981011.db2.gz WWLAAJXTZVUTRK-UTKZUKDTSA-N 1 2 366.465 2.983 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+](Cc3noc(-c4ccccc4)n3)C[C@@]2(C)C1 ZINC001101165399 1023981028 /nfs/dbraw/zinc/98/10/28/1023981028.db2.gz WWLAAJXTZVUTRK-UTKZUKDTSA-N 1 2 366.465 2.983 20 30 FFEDLO COc1ccc(CO[NH+]=C(N)Cc2ccc(OC)c(OC)c2)cc1C#N ZINC000758418674 1024105324 /nfs/dbraw/zinc/10/53/24/1024105324.db2.gz KQIRMKSTMKZKCT-UHFFFAOYSA-N 1 2 355.394 2.825 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3C[N@@H+]([C@@H](C)c4csnn4)C[C@@]3(C)C2)CCC1 ZINC001101266455 1024261822 /nfs/dbraw/zinc/26/18/22/1024261822.db2.gz CRLPIPWBILLMGU-DAYGRLMNSA-N 1 2 358.511 2.573 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3C[N@H+]([C@@H](C)c4csnn4)C[C@@]3(C)C2)CCC1 ZINC001101266455 1024261837 /nfs/dbraw/zinc/26/18/37/1024261837.db2.gz CRLPIPWBILLMGU-DAYGRLMNSA-N 1 2 358.511 2.573 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001218524312 1033201523 /nfs/dbraw/zinc/20/15/23/1033201523.db2.gz WJLVJHADTNEQTH-UIAACRFSSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001218524312 1033201531 /nfs/dbraw/zinc/20/15/31/1033201531.db2.gz WJLVJHADTNEQTH-UIAACRFSSA-N 1 2 371.456 2.711 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc(Cc2[nH+]ccn2C)n1CCc1ccccc1 ZINC001122185493 1024415320 /nfs/dbraw/zinc/41/53/20/1024415320.db2.gz UDIDNSQBTWSREE-IBGZPJMESA-N 1 2 374.492 2.837 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000951785554 1024703249 /nfs/dbraw/zinc/70/32/49/1024703249.db2.gz SZDXRULUUQZHHC-HOJAQTOUSA-N 1 2 358.457 2.937 20 30 FFEDLO C=CCOCCCC(=O)NC[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001101852751 1025119146 /nfs/dbraw/zinc/11/91/46/1025119146.db2.gz IZAWVISXOQYHMJ-ZIAGYGMSSA-N 1 2 371.934 2.963 20 30 FFEDLO C=CCOCCCC(=O)NC[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001101852751 1025119150 /nfs/dbraw/zinc/11/91/50/1025119150.db2.gz IZAWVISXOQYHMJ-ZIAGYGMSSA-N 1 2 371.934 2.963 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001101986811 1025248018 /nfs/dbraw/zinc/24/80/18/1025248018.db2.gz MPXWMRARCCZBDE-KCPJHIHWSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001101986811 1025248029 /nfs/dbraw/zinc/24/80/29/1025248029.db2.gz MPXWMRARCCZBDE-KCPJHIHWSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001101986811 1025248034 /nfs/dbraw/zinc/24/80/34/1025248034.db2.gz MPXWMRARCCZBDE-KCPJHIHWSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001101986811 1025248047 /nfs/dbraw/zinc/24/80/47/1025248047.db2.gz MPXWMRARCCZBDE-KCPJHIHWSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001101988093 1025251449 /nfs/dbraw/zinc/25/14/49/1025251449.db2.gz RVDZUCFKTNRRTR-FVQBIDKESA-N 1 2 356.363 2.623 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001101988093 1025251461 /nfs/dbraw/zinc/25/14/61/1025251461.db2.gz RVDZUCFKTNRRTR-FVQBIDKESA-N 1 2 356.363 2.623 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001101988093 1025251474 /nfs/dbraw/zinc/25/14/74/1025251474.db2.gz RVDZUCFKTNRRTR-FVQBIDKESA-N 1 2 356.363 2.623 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001101988093 1025251486 /nfs/dbraw/zinc/25/14/86/1025251486.db2.gz RVDZUCFKTNRRTR-FVQBIDKESA-N 1 2 356.363 2.623 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001101995133 1025261522 /nfs/dbraw/zinc/26/15/22/1025261522.db2.gz HINGRELMPFTGFK-AEFFLSMTSA-N 1 2 358.486 2.515 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1C ZINC001102002408 1025279941 /nfs/dbraw/zinc/27/99/41/1025279941.db2.gz ITLIRNIINGQZBA-BXUZGUMPSA-N 1 2 365.909 2.645 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1C ZINC001102002408 1025279951 /nfs/dbraw/zinc/27/99/51/1025279951.db2.gz ITLIRNIINGQZBA-BXUZGUMPSA-N 1 2 365.909 2.645 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141107093 1025465508 /nfs/dbraw/zinc/46/55/08/1025465508.db2.gz PNXIIZFAEQEECK-VIFPVBQESA-N 1 2 356.879 2.954 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141107093 1025465514 /nfs/dbraw/zinc/46/55/14/1025465514.db2.gz PNXIIZFAEQEECK-VIFPVBQESA-N 1 2 356.879 2.954 20 30 FFEDLO Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccc(F)cc2C#N)cs1 ZINC001141164877 1025549303 /nfs/dbraw/zinc/54/93/03/1025549303.db2.gz MAENBZBCKLIMIC-ZWKOTPCHSA-N 1 2 370.453 2.838 20 30 FFEDLO Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2ccc(F)cc2C#N)cs1 ZINC001141164877 1025549311 /nfs/dbraw/zinc/54/93/11/1025549311.db2.gz MAENBZBCKLIMIC-ZWKOTPCHSA-N 1 2 370.453 2.838 20 30 FFEDLO C#CCCCCCC(=O)NC[C@@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001102228372 1025611760 /nfs/dbraw/zinc/61/17/60/1025611760.db2.gz AEHCSDFBUBMCNC-ZIAGYGMSSA-N 1 2 368.428 2.775 20 30 FFEDLO C#CCCCCCC(=O)NC[C@@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001102228372 1025611767 /nfs/dbraw/zinc/61/17/67/1025611767.db2.gz AEHCSDFBUBMCNC-ZIAGYGMSSA-N 1 2 368.428 2.775 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)NCC[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001102921662 1026787321 /nfs/dbraw/zinc/78/73/21/1026787321.db2.gz QTPJPTFLWZSKMC-PBFPGSCMSA-N 1 2 371.934 2.698 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)NCC[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001102921662 1026787330 /nfs/dbraw/zinc/78/73/30/1026787330.db2.gz QTPJPTFLWZSKMC-PBFPGSCMSA-N 1 2 371.934 2.698 20 30 FFEDLO CN1C(=O)CC[C@H]2C[N@@H+](Cc3ccc(Br)cc3C#N)CC[C@@H]21 ZINC001141818579 1027009866 /nfs/dbraw/zinc/00/98/66/1027009866.db2.gz KSRGHQKXKGKAFU-BBRMVZONSA-N 1 2 362.271 2.763 20 30 FFEDLO CN1C(=O)CC[C@H]2C[N@H+](Cc3ccc(Br)cc3C#N)CC[C@@H]21 ZINC001141818579 1027009869 /nfs/dbraw/zinc/00/98/69/1027009869.db2.gz KSRGHQKXKGKAFU-BBRMVZONSA-N 1 2 362.271 2.763 20 30 FFEDLO C[C@@H]1C[N@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)[C@H]1c1ccccc1 ZINC000247414041 1027029400 /nfs/dbraw/zinc/02/94/00/1027029400.db2.gz JHVWGQWXRWEQSK-IIBYNOLFSA-N 1 2 374.444 2.973 20 30 FFEDLO C[C@@H]1C[N@@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)[C@H]1c1ccccc1 ZINC000247414041 1027029406 /nfs/dbraw/zinc/02/94/06/1027029406.db2.gz JHVWGQWXRWEQSK-IIBYNOLFSA-N 1 2 374.444 2.973 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC(C)(C)OCC2CC2)CC1=O ZINC000840705522 1027220801 /nfs/dbraw/zinc/22/08/01/1027220801.db2.gz XHIHDDSKLJCVPW-UHFFFAOYSA-N 1 2 368.481 2.851 20 30 FFEDLO CSc1nc(NC[C@H]2C[N@H+](C)CCO2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC001162680110 1028618416 /nfs/dbraw/zinc/61/84/16/1028618416.db2.gz FVRJTKYTSOEXDY-HNNXBMFYSA-N 1 2 369.494 2.788 20 30 FFEDLO CSc1nc(NC[C@H]2C[N@@H+](C)CCO2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC001162680110 1028618437 /nfs/dbraw/zinc/61/84/37/1028618437.db2.gz FVRJTKYTSOEXDY-HNNXBMFYSA-N 1 2 369.494 2.788 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC2CC2)C1 ZINC001111617251 1028934891 /nfs/dbraw/zinc/93/48/91/1028934891.db2.gz YYZPFXKWZRGJQW-RXVVDRJESA-N 1 2 371.456 2.595 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC2CC2)C1 ZINC001111617251 1028934901 /nfs/dbraw/zinc/93/49/01/1028934901.db2.gz YYZPFXKWZRGJQW-RXVVDRJESA-N 1 2 371.456 2.595 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CCCC2)C1 ZINC001111622517 1028951780 /nfs/dbraw/zinc/95/17/80/1028951780.db2.gz OFTYMMIWLHUSBR-YOEHRIQHSA-N 1 2 371.319 2.825 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CCCC2)C1 ZINC001111622517 1028951796 /nfs/dbraw/zinc/95/17/96/1028951796.db2.gz OFTYMMIWLHUSBR-YOEHRIQHSA-N 1 2 371.319 2.825 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nncn1-c1ccccc1)C2 ZINC001111650592 1029052200 /nfs/dbraw/zinc/05/22/00/1029052200.db2.gz XVBWQVJMIYEPJD-UWJYYQICSA-N 1 2 365.481 2.704 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nncn1-c1ccccc1)C2 ZINC001111650592 1029052218 /nfs/dbraw/zinc/05/22/18/1029052218.db2.gz XVBWQVJMIYEPJD-UWJYYQICSA-N 1 2 365.481 2.704 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2cccc(F)c2)nnc1Cl ZINC001156332717 1029150384 /nfs/dbraw/zinc/15/03/84/1029150384.db2.gz NDVAYCSZUCSJIT-LBPRGKRZSA-N 1 2 367.762 2.783 20 30 FFEDLO Cc1sc2nc(C[NH+](C)C)nc(NC(=NC#N)c3ccncc3)c2c1C ZINC001164506051 1029302890 /nfs/dbraw/zinc/30/28/90/1029302890.db2.gz WJWQEZFTQXPWJE-UHFFFAOYSA-N 1 2 365.466 2.914 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164651902 1029349189 /nfs/dbraw/zinc/34/91/89/1029349189.db2.gz MSAGAURXFORVRE-SECBINFHSA-N 1 2 358.179 2.783 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)n1CC)C2 ZINC001111761757 1029372751 /nfs/dbraw/zinc/37/27/51/1029372751.db2.gz KMNWIQIKEQIVLB-JXFKEZNVSA-N 1 2 359.518 2.679 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)n1CC)C2 ZINC001111761757 1029372762 /nfs/dbraw/zinc/37/27/62/1029372762.db2.gz KMNWIQIKEQIVLB-JXFKEZNVSA-N 1 2 359.518 2.679 20 30 FFEDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1cc(C)c(C#N)cn1 ZINC001157505112 1029600420 /nfs/dbraw/zinc/60/04/20/1029600420.db2.gz UGBXTVJBCCZHLV-LJQANCHMSA-N 1 2 364.449 2.516 20 30 FFEDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1cc(C)c(C#N)cn1 ZINC001157505112 1029600423 /nfs/dbraw/zinc/60/04/23/1029600423.db2.gz UGBXTVJBCCZHLV-LJQANCHMSA-N 1 2 364.449 2.516 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2csc(C)n2)C1 ZINC001112091325 1029982909 /nfs/dbraw/zinc/98/29/09/1029982909.db2.gz BALRHBOKULNAHX-ZIAGYGMSSA-N 1 2 359.417 2.734 20 30 FFEDLO CCc1ccccc1CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000783554853 1030151711 /nfs/dbraw/zinc/15/17/11/1030151711.db2.gz KXZMPCXKJJKPPH-UHFFFAOYSA-N 1 2 353.466 2.918 20 30 FFEDLO C=C[C@H]1C[C@]1(NC(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1)C(=O)OCC ZINC001142373777 1030371030 /nfs/dbraw/zinc/37/10/30/1030371030.db2.gz HRVGQOLYKDBZKS-HUJCMKAFSA-N 1 2 365.433 2.569 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2c[nH]c3cc(C#N)ccc23)Cc2nnn(CC)c21 ZINC001142916241 1031048488 /nfs/dbraw/zinc/04/84/88/1031048488.db2.gz BLIGQXXBTKITJV-MRXNPFEDSA-N 1 2 364.453 2.787 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)Cc2nnn(CC)c21 ZINC001142916241 1031048502 /nfs/dbraw/zinc/04/85/02/1031048502.db2.gz BLIGQXXBTKITJV-MRXNPFEDSA-N 1 2 364.453 2.787 20 30 FFEDLO C[C@@H](CCCNc1cccc(F)c1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001115110399 1031050476 /nfs/dbraw/zinc/05/04/76/1031050476.db2.gz SKXYJDJMTGHRQA-BFHYXJOUSA-N 1 2 355.417 2.921 20 30 FFEDLO C[C@@H](CCCNc1cccc(F)c1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001115110399 1031050499 /nfs/dbraw/zinc/05/04/99/1031050499.db2.gz SKXYJDJMTGHRQA-BFHYXJOUSA-N 1 2 355.417 2.921 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)cc1 ZINC001204300716 1031216037 /nfs/dbraw/zinc/21/60/37/1031216037.db2.gz IRPGIBBNIWICCA-KRWDZBQOSA-N 1 2 362.470 2.665 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)cc1 ZINC001204300716 1031216043 /nfs/dbraw/zinc/21/60/43/1031216043.db2.gz IRPGIBBNIWICCA-KRWDZBQOSA-N 1 2 362.470 2.665 20 30 FFEDLO N#Cc1ccc(F)c(C[NH+]2CCC3(CC2)OC(=O)c2ncccc23)c1F ZINC001143174090 1031284225 /nfs/dbraw/zinc/28/42/25/1031284225.db2.gz LPGWURFASLPURQ-UHFFFAOYSA-N 1 2 355.344 2.893 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1scc3c1OCCO3)CCC2 ZINC001143186430 1031291536 /nfs/dbraw/zinc/29/15/36/1031291536.db2.gz XTVNKTZPBZRLFN-UHFFFAOYSA-N 1 2 361.467 2.824 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1scc3c1OCCO3)CCC2 ZINC001143186430 1031291545 /nfs/dbraw/zinc/29/15/45/1031291545.db2.gz XTVNKTZPBZRLFN-UHFFFAOYSA-N 1 2 361.467 2.824 20 30 FFEDLO C#C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C)C(C)C ZINC000799386101 1031757071 /nfs/dbraw/zinc/75/70/71/1031757071.db2.gz PZTQSXDAPTXPLS-HKUYNNGSSA-N 1 2 357.498 2.959 20 30 FFEDLO C#C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C)C(C)C ZINC000799386101 1031757083 /nfs/dbraw/zinc/75/70/83/1031757083.db2.gz PZTQSXDAPTXPLS-HKUYNNGSSA-N 1 2 357.498 2.959 20 30 FFEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1ccc(F)c(C#N)c1 ZINC001205467040 1031767716 /nfs/dbraw/zinc/76/77/16/1031767716.db2.gz GWVKWRYQZBNNPC-LJQANCHMSA-N 1 2 369.444 2.710 20 30 FFEDLO C[C@H]([NH3+])c1ncc(C(=O)Nc2c(C#N)cnnc2-c2ccccc2)s1 ZINC001218718363 1033302908 /nfs/dbraw/zinc/30/29/08/1033302908.db2.gz OJGKVEJZYSPENW-JTQLQIEISA-N 1 2 350.407 2.744 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)C3(CCF)CC3)C[C@@H]21 ZINC001223181362 1033320814 /nfs/dbraw/zinc/32/08/14/1033320814.db2.gz GKJGKXGWKDKFAN-KGLIPLIRSA-N 1 2 359.283 2.958 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3(CCF)CC3)C[C@@H]21 ZINC001223181362 1033320823 /nfs/dbraw/zinc/32/08/23/1033320823.db2.gz GKJGKXGWKDKFAN-KGLIPLIRSA-N 1 2 359.283 2.958 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CCC)OC)C[C@@H]21 ZINC001223252859 1033357618 /nfs/dbraw/zinc/35/76/18/1033357618.db2.gz UNYXSFHXEOPOKO-ILXRZTDVSA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CCC)OC)C[C@@H]21 ZINC001223252859 1033357625 /nfs/dbraw/zinc/35/76/25/1033357625.db2.gz UNYXSFHXEOPOKO-ILXRZTDVSA-N 1 2 359.308 2.633 20 30 FFEDLO CC[C@H](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218832018 1033364538 /nfs/dbraw/zinc/36/45/38/1033364538.db2.gz ISLGEVIENCOLTD-SESVDKBCSA-N 1 2 354.494 2.776 20 30 FFEDLO CC[C@H](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218832018 1033364552 /nfs/dbraw/zinc/36/45/52/1033364552.db2.gz ISLGEVIENCOLTD-SESVDKBCSA-N 1 2 354.494 2.776 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3CCC)[C@H]2C1 ZINC001223393722 1033424561 /nfs/dbraw/zinc/42/45/61/1033424561.db2.gz SOUCEBOYMPGONB-MSOLQXFVSA-N 1 2 359.518 2.776 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3CCC)[C@H]2C1 ZINC001223393722 1033424570 /nfs/dbraw/zinc/42/45/70/1033424570.db2.gz SOUCEBOYMPGONB-MSOLQXFVSA-N 1 2 359.518 2.776 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nn(CC)nc4C)[C@H]3C2)CCC1 ZINC001223459796 1033452986 /nfs/dbraw/zinc/45/29/86/1033452986.db2.gz RJKPJUDWEHGCCA-MJGOQNOKSA-N 1 2 371.529 2.776 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nn(CC)nc4C)[C@H]3C2)CCC1 ZINC001223459796 1033452996 /nfs/dbraw/zinc/45/29/96/1033452996.db2.gz RJKPJUDWEHGCCA-MJGOQNOKSA-N 1 2 371.529 2.776 20 30 FFEDLO C=CCCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nn(CC)nc4C)[C@H]3C2)CC1 ZINC001223459481 1033453553 /nfs/dbraw/zinc/45/35/53/1033453553.db2.gz KJZQYSVUEUCSRW-MJGOQNOKSA-N 1 2 371.529 2.776 20 30 FFEDLO C=CCCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nn(CC)nc4C)[C@H]3C2)CC1 ZINC001223459481 1033453560 /nfs/dbraw/zinc/45/35/60/1033453560.db2.gz KJZQYSVUEUCSRW-MJGOQNOKSA-N 1 2 371.529 2.776 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cccc(Br)c2)C[C@@H]1O ZINC001219335160 1033602677 /nfs/dbraw/zinc/60/26/77/1033602677.db2.gz SMTMIDRTLLPXEM-WQVCFCJDSA-N 1 2 367.287 2.638 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cccc(Br)c2)C[C@@H]1O ZINC001219335160 1033602687 /nfs/dbraw/zinc/60/26/87/1033602687.db2.gz SMTMIDRTLLPXEM-WQVCFCJDSA-N 1 2 367.287 2.638 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2oc(C(C)C)nc2C)C[C@@H]1O ZINC001219702980 1033772689 /nfs/dbraw/zinc/77/26/89/1033772689.db2.gz OUWNZHQGAGJEDD-KGLIPLIRSA-N 1 2 369.893 2.546 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2oc(C(C)C)nc2C)C[C@@H]1O ZINC001219702980 1033772704 /nfs/dbraw/zinc/77/27/04/1033772704.db2.gz OUWNZHQGAGJEDD-KGLIPLIRSA-N 1 2 369.893 2.546 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1O ZINC001219707825 1033776140 /nfs/dbraw/zinc/77/61/40/1033776140.db2.gz HVJFODNACDIJIP-MOPGFXCFSA-N 1 2 369.465 2.605 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1O ZINC001219707825 1033776152 /nfs/dbraw/zinc/77/61/52/1033776152.db2.gz HVJFODNACDIJIP-MOPGFXCFSA-N 1 2 369.465 2.605 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cnc(Cl)s3)[C@H]2C1 ZINC001224280743 1033824280 /nfs/dbraw/zinc/82/42/80/1033824280.db2.gz LZSRYCYEKAWYNY-NFAWXSAZSA-N 1 2 369.918 2.810 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnc(Cl)s3)[C@H]2C1 ZINC001224280743 1033824292 /nfs/dbraw/zinc/82/42/92/1033824292.db2.gz LZSRYCYEKAWYNY-NFAWXSAZSA-N 1 2 369.918 2.810 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001224281300 1033826086 /nfs/dbraw/zinc/82/60/86/1033826086.db2.gz XLDWOJKAXKKZJR-QINHECLXSA-N 1 2 371.456 2.711 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001224281300 1033826098 /nfs/dbraw/zinc/82/60/98/1033826098.db2.gz XLDWOJKAXKKZJR-QINHECLXSA-N 1 2 371.456 2.711 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O)C(C)(C)C ZINC001219883901 1033869308 /nfs/dbraw/zinc/86/93/08/1033869308.db2.gz ZQKQEVPPQMPWDK-OLMNPRSZSA-N 1 2 362.901 2.535 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O)C(C)(C)C ZINC001219883901 1033869318 /nfs/dbraw/zinc/86/93/18/1033869318.db2.gz ZQKQEVPPQMPWDK-OLMNPRSZSA-N 1 2 362.901 2.535 20 30 FFEDLO O=C(CCC1CCCCCC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220024466 1033944941 /nfs/dbraw/zinc/94/49/41/1033944941.db2.gz MOBASQGTHMXXAK-YADHBBJMSA-N 1 2 368.521 2.950 20 30 FFEDLO O=C(CCC1CCCCCC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220024466 1033944952 /nfs/dbraw/zinc/94/49/52/1033944952.db2.gz MOBASQGTHMXXAK-YADHBBJMSA-N 1 2 368.521 2.950 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)C[C@@H]1O ZINC001220144454 1034001176 /nfs/dbraw/zinc/00/11/76/1034001176.db2.gz GCAHMFZPRXNGPX-CABCVRRESA-N 1 2 354.903 2.647 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)s2)C[C@@H]1O ZINC001220144454 1034001180 /nfs/dbraw/zinc/00/11/80/1034001180.db2.gz GCAHMFZPRXNGPX-CABCVRRESA-N 1 2 354.903 2.647 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001220149224 1034004686 /nfs/dbraw/zinc/00/46/86/1034004686.db2.gz DCOSZEJSHSLZEB-KYNGSXCRSA-N 1 2 364.436 2.771 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001220149224 1034004703 /nfs/dbraw/zinc/00/47/03/1034004703.db2.gz DCOSZEJSHSLZEB-KYNGSXCRSA-N 1 2 364.436 2.771 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@@H]1O ZINC001220182567 1034027842 /nfs/dbraw/zinc/02/78/42/1034027842.db2.gz GNPZRJNTKGZZHF-VHSSKADRSA-N 1 2 366.864 2.895 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@@H]1O ZINC001220182567 1034027854 /nfs/dbraw/zinc/02/78/54/1034027854.db2.gz GNPZRJNTKGZZHF-VHSSKADRSA-N 1 2 366.864 2.895 20 30 FFEDLO COCCCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C#N)cc2Cl)C1=O ZINC001277030918 1034193778 /nfs/dbraw/zinc/19/37/78/1034193778.db2.gz NIQZXZBGTHTGJM-LJQANCHMSA-N 1 2 361.873 2.815 20 30 FFEDLO COCCCN1CC[C@]2(CCC[N@H+]2Cc2ccc(C#N)cc2Cl)C1=O ZINC001277030918 1034193781 /nfs/dbraw/zinc/19/37/81/1034193781.db2.gz NIQZXZBGTHTGJM-LJQANCHMSA-N 1 2 361.873 2.815 20 30 FFEDLO CC(C)CCCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220485666 1034210796 /nfs/dbraw/zinc/21/07/96/1034210796.db2.gz RIZQIBSUEIOFPP-RTWAWAEBSA-N 1 2 356.510 2.806 20 30 FFEDLO CC(C)CCCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220485666 1034210805 /nfs/dbraw/zinc/21/08/05/1034210805.db2.gz RIZQIBSUEIOFPP-RTWAWAEBSA-N 1 2 356.510 2.806 20 30 FFEDLO C=CCn1cc(C(=O)N2CC[NH+]([C@@H](CC)c3ccc(F)cc3)CC2)nn1 ZINC000831869410 1034364608 /nfs/dbraw/zinc/36/46/08/1034364608.db2.gz UXTVVTWHSJOLRF-SFHVURJKSA-N 1 2 357.433 2.512 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2OC)C[C@@H]1O ZINC001220835244 1034420524 /nfs/dbraw/zinc/42/05/24/1034420524.db2.gz YHPKYLZSTDFMBW-MSOLQXFVSA-N 1 2 363.502 2.502 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2OC)C[C@@H]1O ZINC001220835244 1034420537 /nfs/dbraw/zinc/42/05/37/1034420537.db2.gz YHPKYLZSTDFMBW-MSOLQXFVSA-N 1 2 363.502 2.502 20 30 FFEDLO C=CCc1cccc(C[N@@H+]2Cc3nnn(CC)c3[C@@H](COCC)C2)c1O ZINC001138627127 1034478663 /nfs/dbraw/zinc/47/86/63/1034478663.db2.gz XSDMEAVRTSVGRX-QGZVFWFLSA-N 1 2 356.470 2.868 20 30 FFEDLO C=CCc1cccc(C[N@H+]2Cc3nnn(CC)c3[C@@H](COCC)C2)c1O ZINC001138627127 1034478668 /nfs/dbraw/zinc/47/86/68/1034478668.db2.gz XSDMEAVRTSVGRX-QGZVFWFLSA-N 1 2 356.470 2.868 20 30 FFEDLO C=CCc1cccc(C[N@@H+]2Cc3nnn(CC)c3[C@H](COCC)C2)c1O ZINC001138627125 1034478745 /nfs/dbraw/zinc/47/87/45/1034478745.db2.gz XSDMEAVRTSVGRX-KRWDZBQOSA-N 1 2 356.470 2.868 20 30 FFEDLO C=CCc1cccc(C[N@H+]2Cc3nnn(CC)c3[C@H](COCC)C2)c1O ZINC001138627125 1034478749 /nfs/dbraw/zinc/47/87/49/1034478749.db2.gz XSDMEAVRTSVGRX-KRWDZBQOSA-N 1 2 356.470 2.868 20 30 FFEDLO CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001221305158 1034662600 /nfs/dbraw/zinc/66/26/00/1034662600.db2.gz NQCKTXDEQXAQRS-KVSKMBFKSA-N 1 2 360.885 2.649 20 30 FFEDLO CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001221305158 1034662605 /nfs/dbraw/zinc/66/26/05/1034662605.db2.gz NQCKTXDEQXAQRS-KVSKMBFKSA-N 1 2 360.885 2.649 20 30 FFEDLO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001138858040 1034748587 /nfs/dbraw/zinc/74/85/87/1034748587.db2.gz VAWNQPXGEIPFCF-QGZVFWFLSA-N 1 2 354.410 2.501 20 30 FFEDLO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001138858040 1034748596 /nfs/dbraw/zinc/74/85/96/1034748596.db2.gz VAWNQPXGEIPFCF-QGZVFWFLSA-N 1 2 354.410 2.501 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCN(c4ccc(C)cc4)C3=O)C[C@H]21 ZINC001221430550 1034748703 /nfs/dbraw/zinc/74/87/03/1034748703.db2.gz IIOBUUBUJYNBEQ-YZGWKJHDSA-N 1 2 367.493 2.599 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCN(c4ccc(C)cc4)C3=O)C[C@H]21 ZINC001221430550 1034748715 /nfs/dbraw/zinc/74/87/15/1034748715.db2.gz IIOBUUBUJYNBEQ-YZGWKJHDSA-N 1 2 367.493 2.599 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+](Cc3coc(-c4ccccc4)n3)C[C@H]21 ZINC001221436152 1034759051 /nfs/dbraw/zinc/75/90/51/1034759051.db2.gz NDANIWQSYAIAQG-IEBWSBKVSA-N 1 2 367.449 2.577 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3coc(-c4ccccc4)n3)C[C@H]21 ZINC001221436152 1034759065 /nfs/dbraw/zinc/75/90/65/1034759065.db2.gz NDANIWQSYAIAQG-IEBWSBKVSA-N 1 2 367.449 2.577 20 30 FFEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC001221545036 1034863606 /nfs/dbraw/zinc/86/36/06/1034863606.db2.gz UAPMUSWARXFJID-CRAIPNDOSA-N 1 2 364.848 2.552 20 30 FFEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC001221545036 1034863614 /nfs/dbraw/zinc/86/36/14/1034863614.db2.gz UAPMUSWARXFJID-CRAIPNDOSA-N 1 2 364.848 2.552 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)CCOCC4CC4)[C@@H]3C2)c1 ZINC001221547804 1034864317 /nfs/dbraw/zinc/86/43/17/1034864317.db2.gz WINNBOZSEARDTI-YLJYHZDGSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)CCOCC4CC4)[C@@H]3C2)c1 ZINC001221547804 1034864325 /nfs/dbraw/zinc/86/43/25/1034864325.db2.gz WINNBOZSEARDTI-YLJYHZDGSA-N 1 2 371.456 2.547 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(Cl)nc4)C[C@H]32)CCC1 ZINC001221611087 1034918653 /nfs/dbraw/zinc/91/86/53/1034918653.db2.gz MKEWXLOVDUAQLU-IAGOWNOFSA-N 1 2 357.885 2.961 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(Cl)nc4)C[C@H]32)CCC1 ZINC001221611087 1034918663 /nfs/dbraw/zinc/91/86/63/1034918663.db2.gz MKEWXLOVDUAQLU-IAGOWNOFSA-N 1 2 357.885 2.961 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1cccc2c1ccn2C ZINC001139155534 1034981540 /nfs/dbraw/zinc/98/15/40/1034981540.db2.gz BONUDTISEBHDMD-LJQANCHMSA-N 1 2 351.454 2.609 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1cccc2c1ccn2C ZINC001139155534 1034981544 /nfs/dbraw/zinc/98/15/44/1034981544.db2.gz BONUDTISEBHDMD-LJQANCHMSA-N 1 2 351.454 2.609 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC001221760718 1035044999 /nfs/dbraw/zinc/04/49/99/1035044999.db2.gz NXPILHACIRKTQE-YQVWRLOYSA-N 1 2 361.530 2.570 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC001221760718 1035045007 /nfs/dbraw/zinc/04/50/07/1035045007.db2.gz NXPILHACIRKTQE-YQVWRLOYSA-N 1 2 361.530 2.570 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+](Cc3cnnn3-c3ccccc3)C[C@H]21 ZINC001221782515 1035063270 /nfs/dbraw/zinc/06/32/70/1035063270.db2.gz FEFQSJVFVXNNTA-YLJYHZDGSA-N 1 2 365.481 2.656 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cnnn3-c3ccccc3)C[C@H]21 ZINC001221782515 1035063276 /nfs/dbraw/zinc/06/32/76/1035063276.db2.gz FEFQSJVFVXNNTA-YLJYHZDGSA-N 1 2 365.481 2.656 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(OC)ns4)C[C@H]32)CCC1 ZINC001221797750 1035078649 /nfs/dbraw/zinc/07/86/49/1035078649.db2.gz FBJHPEIPKIOUIF-GDBMZVCRSA-N 1 2 361.511 2.931 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(OC)ns4)C[C@H]32)CCC1 ZINC001221797750 1035078659 /nfs/dbraw/zinc/07/86/59/1035078659.db2.gz FBJHPEIPKIOUIF-GDBMZVCRSA-N 1 2 361.511 2.931 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)c3ccccc3)C[C@H]21 ZINC001221839507 1035106925 /nfs/dbraw/zinc/10/69/25/1035106925.db2.gz VQTVPSMAHJNIIC-IEBWSBKVSA-N 1 2 369.509 2.784 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)c3ccccc3)C[C@H]21 ZINC001221839507 1035106931 /nfs/dbraw/zinc/10/69/31/1035106931.db2.gz VQTVPSMAHJNIIC-IEBWSBKVSA-N 1 2 369.509 2.784 20 30 FFEDLO C#CC[NH+]1CCN(Cc2c(Br)cccc2Br)CC1 ZINC001139601268 1035176095 /nfs/dbraw/zinc/17/60/95/1035176095.db2.gz ISJSRSPTMITEFK-UHFFFAOYSA-N 1 2 372.104 2.962 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1[nH]nc3ccc(OC)cc31)CCC2 ZINC001140066355 1035330604 /nfs/dbraw/zinc/33/06/04/1035330604.db2.gz RQVOGNZPACCEEA-UHFFFAOYSA-N 1 2 367.453 2.877 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1[nH]nc3ccc(OC)cc31)CCC2 ZINC001140066355 1035330606 /nfs/dbraw/zinc/33/06/06/1035330606.db2.gz RQVOGNZPACCEEA-UHFFFAOYSA-N 1 2 367.453 2.877 20 30 FFEDLO Nc1ccc2c(c1)CCCC2=[NH+]Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000834952059 1035480934 /nfs/dbraw/zinc/48/09/34/1035480934.db2.gz KLRORHKRPGSIQD-UHFFFAOYSA-N 1 2 370.478 2.862 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@@H+](Cc3ccc4ccccc4c3O)C[C@@]2(F)C1=O ZINC001277223409 1035627707 /nfs/dbraw/zinc/62/77/07/1035627707.db2.gz KVBYFDJIXIQWHU-VQTJNVASSA-N 1 2 358.388 2.806 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@H+](Cc3ccc4ccccc4c3O)C[C@@]2(F)C1=O ZINC001277223409 1035627714 /nfs/dbraw/zinc/62/77/14/1035627714.db2.gz KVBYFDJIXIQWHU-VQTJNVASSA-N 1 2 358.388 2.806 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ncccc1C(F)(F)F ZINC001277254163 1035817334 /nfs/dbraw/zinc/81/73/34/1035817334.db2.gz QWMDWRXRZCDNGX-QGZVFWFLSA-N 1 2 351.372 2.691 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ncccc1C(F)(F)F ZINC001277254163 1035817349 /nfs/dbraw/zinc/81/73/49/1035817349.db2.gz QWMDWRXRZCDNGX-QGZVFWFLSA-N 1 2 351.372 2.691 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3O)C[C@@H]2C1 ZINC001232678728 1035936121 /nfs/dbraw/zinc/93/61/21/1035936121.db2.gz NUDQCCNUPACUJW-DOTOQJQBSA-N 1 2 357.454 2.953 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3O)C[C@@H]2C1 ZINC001232678728 1035936128 /nfs/dbraw/zinc/93/61/28/1035936128.db2.gz NUDQCCNUPACUJW-DOTOQJQBSA-N 1 2 357.454 2.953 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCC(NC(=O)c3cccc(F)c3)CC2)c1 ZINC001232681066 1035939514 /nfs/dbraw/zinc/93/95/14/1035939514.db2.gz KIBGVKOSIAXNIO-UHFFFAOYSA-N 1 2 353.397 2.797 20 30 FFEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1cc(F)ccc1C#N)C2 ZINC001232891019 1036132378 /nfs/dbraw/zinc/13/23/78/1036132378.db2.gz VGAOPBTYXWZOGO-UHFFFAOYSA-N 1 2 356.449 2.535 20 30 FFEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1cc(F)ccc1C#N)C2 ZINC001232891019 1036132383 /nfs/dbraw/zinc/13/23/83/1036132383.db2.gz VGAOPBTYXWZOGO-UHFFFAOYSA-N 1 2 356.449 2.535 20 30 FFEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(Oc2ccc(C(N)=O)cc2)CC1 ZINC001232892675 1036135421 /nfs/dbraw/zinc/13/54/21/1036135421.db2.gz DELIOIYMDAVUKA-UHFFFAOYSA-N 1 2 353.397 2.840 20 30 FFEDLO Cc1ccc(CN2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)c(C#N)c1 ZINC001232963804 1036189985 /nfs/dbraw/zinc/18/99/85/1036189985.db2.gz MQEVLPGTAQRPAP-UHFFFAOYSA-N 1 2 358.486 2.509 20 30 FFEDLO CSc1ncc(C#N)c(O[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC001228681598 1036252468 /nfs/dbraw/zinc/25/24/68/1036252468.db2.gz MLPQJFUEFCKYNO-YOEHRIQHSA-N 1 2 370.478 2.738 20 30 FFEDLO CSc1ncc(C#N)c(O[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC001228681598 1036252485 /nfs/dbraw/zinc/25/24/85/1036252485.db2.gz MLPQJFUEFCKYNO-YOEHRIQHSA-N 1 2 370.478 2.738 20 30 FFEDLO COC(=O)c1nc(Cl)c2ccccc2c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001228690717 1036261997 /nfs/dbraw/zinc/26/19/97/1036261997.db2.gz JKANKYLZFGDLJW-PKBIGMILSA-N 1 2 374.824 2.666 20 30 FFEDLO COC(=O)c1nc(Cl)c2ccccc2c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001228690717 1036262015 /nfs/dbraw/zinc/26/20/15/1036262015.db2.gz JKANKYLZFGDLJW-PKBIGMILSA-N 1 2 374.824 2.666 20 30 FFEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001233043856 1036288364 /nfs/dbraw/zinc/28/83/64/1036288364.db2.gz NJXWKFDCLZVVLV-AZUAARDMSA-N 1 2 352.438 2.731 20 30 FFEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001233043856 1036288371 /nfs/dbraw/zinc/28/83/71/1036288371.db2.gz NJXWKFDCLZVVLV-AZUAARDMSA-N 1 2 352.438 2.731 20 30 FFEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@]2(C1)C[C@H](NC(=O)c1ccsc1)CCO2 ZINC001233043970 1036288829 /nfs/dbraw/zinc/28/88/29/1036288829.db2.gz GWCWWLPITNOORJ-VQIMIIECSA-N 1 2 370.478 2.501 20 30 FFEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@]2(C1)C[C@H](NC(=O)c1ccsc1)CCO2 ZINC001233043970 1036288837 /nfs/dbraw/zinc/28/88/37/1036288837.db2.gz GWCWWLPITNOORJ-VQIMIIECSA-N 1 2 370.478 2.501 20 30 FFEDLO Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3[nH]ccc3C#N)O2)cs1 ZINC001233045622 1036292665 /nfs/dbraw/zinc/29/26/65/1036292665.db2.gz XZXCMQRZBAWIFT-BHIYHBOVSA-N 1 2 372.494 2.990 20 30 FFEDLO Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3[nH]ccc3C#N)O2)cs1 ZINC001233045622 1036292671 /nfs/dbraw/zinc/29/26/71/1036292671.db2.gz XZXCMQRZBAWIFT-BHIYHBOVSA-N 1 2 372.494 2.990 20 30 FFEDLO COC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(C#N)cc1C ZINC001233080866 1036328599 /nfs/dbraw/zinc/32/85/99/1036328599.db2.gz XZRHPTHSEBBEHY-SFHVURJKSA-N 1 2 359.470 2.934 20 30 FFEDLO COC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(C#N)cc1C ZINC001233080866 1036328620 /nfs/dbraw/zinc/32/86/20/1036328620.db2.gz XZRHPTHSEBBEHY-SFHVURJKSA-N 1 2 359.470 2.934 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cccc(Br)c2N)C1=O ZINC001277761434 1036344261 /nfs/dbraw/zinc/34/42/61/1036344261.db2.gz GHTSTWAFOUMSHU-KRWDZBQOSA-N 1 2 364.287 2.784 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(Br)c2N)C1=O ZINC001277761434 1036344278 /nfs/dbraw/zinc/34/42/78/1036344278.db2.gz GHTSTWAFOUMSHU-KRWDZBQOSA-N 1 2 364.287 2.784 20 30 FFEDLO CC(=O)c1c(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc(C)oc1=O ZINC001229188008 1036539508 /nfs/dbraw/zinc/53/95/08/1036539508.db2.gz UONSTJJGFJBEFJ-KRWDZBQOSA-N 1 2 352.390 2.676 20 30 FFEDLO CC(=O)c1c(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc(C)oc1=O ZINC001229188008 1036539521 /nfs/dbraw/zinc/53/95/21/1036539521.db2.gz UONSTJJGFJBEFJ-KRWDZBQOSA-N 1 2 352.390 2.676 20 30 FFEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2O)Cc2nn(CC3CC3)cc21 ZINC001233384462 1036584556 /nfs/dbraw/zinc/58/45/56/1036584556.db2.gz XADMGTBXUYOLOV-KRWDZBQOSA-N 1 2 352.438 2.616 20 30 FFEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2O)Cc2nn(CC3CC3)cc21 ZINC001233384462 1036584566 /nfs/dbraw/zinc/58/45/66/1036584566.db2.gz XADMGTBXUYOLOV-KRWDZBQOSA-N 1 2 352.438 2.616 20 30 FFEDLO Cc1ccc(C)c(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C2)c1 ZINC001206949834 1036972563 /nfs/dbraw/zinc/97/25/63/1036972563.db2.gz RGMRGYGEAPLOAY-IEBWSBKVSA-N 1 2 369.509 2.728 20 30 FFEDLO Cc1ccc(C)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C2)c1 ZINC001206949834 1036972569 /nfs/dbraw/zinc/97/25/69/1036972569.db2.gz RGMRGYGEAPLOAY-IEBWSBKVSA-N 1 2 369.509 2.728 20 30 FFEDLO CCc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C2)cc1 ZINC001206950970 1036973269 /nfs/dbraw/zinc/97/32/69/1036973269.db2.gz QLJGBJFZDVSJGT-VQIMIIECSA-N 1 2 369.509 2.674 20 30 FFEDLO CCc1ccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C2)cc1 ZINC001206950970 1036973285 /nfs/dbraw/zinc/97/32/85/1036973285.db2.gz QLJGBJFZDVSJGT-VQIMIIECSA-N 1 2 369.509 2.674 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C1(C(F)F)CC1 ZINC001206972726 1037004039 /nfs/dbraw/zinc/00/40/39/1037004039.db2.gz YDPFBQASSWRITN-IAQYHMDHSA-N 1 2 351.372 2.679 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C1(C(F)F)CC1 ZINC001206972726 1037004058 /nfs/dbraw/zinc/00/40/58/1037004058.db2.gz YDPFBQASSWRITN-IAQYHMDHSA-N 1 2 351.372 2.679 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)Cc2ncn(CC3CC3)c21 ZINC001207103872 1037146977 /nfs/dbraw/zinc/14/69/77/1037146977.db2.gz AFMUBTDUVDZPEO-QGZVFWFLSA-N 1 2 353.470 2.639 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)Cc2ncn(CC3CC3)c21 ZINC001207103872 1037146991 /nfs/dbraw/zinc/14/69/91/1037146991.db2.gz AFMUBTDUVDZPEO-QGZVFWFLSA-N 1 2 353.470 2.639 20 30 FFEDLO CCn1ncc2c1C[N@H+](Cc1cc(C#N)n(C)c1)C[C@@H]2COCC1CC1 ZINC001207104246 1037150892 /nfs/dbraw/zinc/15/08/92/1037150892.db2.gz PERZLYOTICQPNB-QGZVFWFLSA-N 1 2 353.470 2.639 20 30 FFEDLO CCn1ncc2c1C[N@@H+](Cc1cc(C#N)n(C)c1)C[C@@H]2COCC1CC1 ZINC001207104246 1037150894 /nfs/dbraw/zinc/15/08/94/1037150894.db2.gz PERZLYOTICQPNB-QGZVFWFLSA-N 1 2 353.470 2.639 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cccnc2C)Cc2nnn(CC3CC3)c21 ZINC001207149101 1037195173 /nfs/dbraw/zinc/19/51/73/1037195173.db2.gz KCIUCDRBRUOLEX-SFHVURJKSA-N 1 2 353.470 2.694 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](Cc2cccnc2C)Cc2nnn(CC3CC3)c21 ZINC001207149101 1037195177 /nfs/dbraw/zinc/19/51/77/1037195177.db2.gz KCIUCDRBRUOLEX-SFHVURJKSA-N 1 2 353.470 2.694 20 30 FFEDLO COC(=O)/C=C/c1ccc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)o1 ZINC001207185581 1037228936 /nfs/dbraw/zinc/22/89/36/1037228936.db2.gz POJOGHBJQPMCFK-FNORWQNLSA-N 1 2 369.396 2.799 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)C[C@H]1C)OCC ZINC001207255326 1037288450 /nfs/dbraw/zinc/28/84/50/1037288450.db2.gz JPVSFZDOEWEDTO-OIISXLGYSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1C)OCC ZINC001207255326 1037288466 /nfs/dbraw/zinc/28/84/66/1037288466.db2.gz JPVSFZDOEWEDTO-OIISXLGYSA-N 1 2 361.486 2.860 20 30 FFEDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)cc(C#N)c1 ZINC001277479554 1037436869 /nfs/dbraw/zinc/43/68/69/1037436869.db2.gz QOWHFPICBQSLKE-JBBXEZCESA-N 1 2 359.857 2.754 20 30 FFEDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Cl)cc(C#N)c1 ZINC001277479554 1037436879 /nfs/dbraw/zinc/43/68/79/1037436879.db2.gz QOWHFPICBQSLKE-JBBXEZCESA-N 1 2 359.857 2.754 20 30 FFEDLO N#Cc1cc(F)c(C[NH+]2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)c(F)c1 ZINC001235655019 1037665303 /nfs/dbraw/zinc/66/53/03/1037665303.db2.gz TVRXWBLAKVSNFM-KBPBESRZSA-N 1 2 360.433 2.857 20 30 FFEDLO N#Cc1cc(F)c(C[N@@H+]2CCc3ncnc(N4CCCC4)c3CC2)c(F)c1 ZINC001235654485 1037665853 /nfs/dbraw/zinc/66/58/53/1037665853.db2.gz OXMNKARNHGLYRZ-UHFFFAOYSA-N 1 2 369.419 2.827 20 30 FFEDLO N#Cc1cc(F)c(C[N@H+]2CCc3ncnc(N4CCCC4)c3CC2)c(F)c1 ZINC001235654485 1037665855 /nfs/dbraw/zinc/66/58/55/1037665855.db2.gz OXMNKARNHGLYRZ-UHFFFAOYSA-N 1 2 369.419 2.827 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C(C)(C)C)C2)c1 ZINC001207716499 1037675577 /nfs/dbraw/zinc/67/55/77/1037675577.db2.gz IHNHYNKLHUQLAA-JTDSTZFVSA-N 1 2 369.509 2.725 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C(C)(C)C)C2)c1 ZINC001207716499 1037675590 /nfs/dbraw/zinc/67/55/90/1037675590.db2.gz IHNHYNKLHUQLAA-JTDSTZFVSA-N 1 2 369.509 2.725 20 30 FFEDLO COc1ccc(Br)c(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)c1O ZINC001231550220 1037675823 /nfs/dbraw/zinc/67/58/23/1037675823.db2.gz KQHNSBCGLPVRNY-ZDUSSCGKSA-N 1 2 370.268 2.937 20 30 FFEDLO COc1ccc(Br)c(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c1O ZINC001231550220 1037675835 /nfs/dbraw/zinc/67/58/35/1037675835.db2.gz KQHNSBCGLPVRNY-ZDUSSCGKSA-N 1 2 370.268 2.937 20 30 FFEDLO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(C#N)c1 ZINC001207945803 1037874082 /nfs/dbraw/zinc/87/40/82/1037874082.db2.gz MBUUGFSFDPKZDI-KRWDZBQOSA-N 1 2 373.478 2.965 20 30 FFEDLO CN(CCC#N)c1ccc(C[NH+]2CCN(c3nccnc3Cl)CC2)cc1 ZINC001231817303 1037927484 /nfs/dbraw/zinc/92/74/84/1037927484.db2.gz YXCSRYKAKIZXEC-UHFFFAOYSA-N 1 2 370.888 2.802 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccoc3)no2)C[C@H]1C ZINC001208313139 1038205816 /nfs/dbraw/zinc/20/58/16/1038205816.db2.gz XJTKFLJUCTZYIP-NVXWUHKLSA-N 1 2 370.453 2.850 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccoc3)no2)C[C@H]1C ZINC001208313139 1038205830 /nfs/dbraw/zinc/20/58/30/1038205830.db2.gz XJTKFLJUCTZYIP-NVXWUHKLSA-N 1 2 370.453 2.850 20 30 FFEDLO C[C@@H]1C[N@H+](C2CN(Cc3ccc(C#N)c(Br)c3)C2)C[C@H](C)O1 ZINC001236861383 1038315114 /nfs/dbraw/zinc/31/51/14/1038315114.db2.gz SBQQQBWIJUXKOL-BETUJISGSA-N 1 2 364.287 2.614 20 30 FFEDLO C[C@@H]1C[N@@H+](C2CN(Cc3ccc(C#N)c(Br)c3)C2)C[C@H](C)O1 ZINC001236861383 1038315125 /nfs/dbraw/zinc/31/51/25/1038315125.db2.gz SBQQQBWIJUXKOL-BETUJISGSA-N 1 2 364.287 2.614 20 30 FFEDLO CC1=CCC=C[C@H]1C(=O)N1CCO[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001278925502 1038463567 /nfs/dbraw/zinc/46/35/67/1038463567.db2.gz BWGVPIYUOHEHTK-QYZOEREBSA-N 1 2 369.490 2.554 20 30 FFEDLO CC1=CCC=C[C@H]1C(=O)N1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001278925502 1038463568 /nfs/dbraw/zinc/46/35/68/1038463568.db2.gz BWGVPIYUOHEHTK-QYZOEREBSA-N 1 2 369.490 2.554 20 30 FFEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001257113849 1038714902 /nfs/dbraw/zinc/71/49/02/1038714902.db2.gz WUIDCMMUZKMLPN-MCIONIFRSA-N 1 2 360.520 2.616 20 30 FFEDLO CC(C)c1nc(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)cs1 ZINC001279025659 1038880232 /nfs/dbraw/zinc/88/02/32/1038880232.db2.gz OIHICHNGCWVYRD-UHFFFAOYSA-N 1 2 355.511 2.794 20 30 FFEDLO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251033911 1038906684 /nfs/dbraw/zinc/90/66/84/1038906684.db2.gz OXEXNTAIQXVJSD-QGZVFWFLSA-N 1 2 366.965 2.674 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1c(C)nc3ccccn31)CCC2 ZINC001209645888 1039101859 /nfs/dbraw/zinc/10/18/59/1039101859.db2.gz VZBGPMOIWHUZEO-UHFFFAOYSA-N 1 2 351.454 2.948 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1c(C)nc3ccccn31)CCC2 ZINC001209645888 1039101867 /nfs/dbraw/zinc/10/18/67/1039101867.db2.gz VZBGPMOIWHUZEO-UHFFFAOYSA-N 1 2 351.454 2.948 20 30 FFEDLO Cc1cc(CN2CC3(CC[N@H+]3Cc3cc(C#N)n(C)c3)C2)cnc1Cl ZINC001278640688 1039397771 /nfs/dbraw/zinc/39/77/71/1039397771.db2.gz VUHRMQQOYCYECH-UHFFFAOYSA-N 1 2 355.873 2.714 20 30 FFEDLO Cc1cc(CN2CC3(CC[N@@H+]3Cc3cc(C#N)n(C)c3)C2)cnc1Cl ZINC001278640688 1039397782 /nfs/dbraw/zinc/39/77/82/1039397782.db2.gz VUHRMQQOYCYECH-UHFFFAOYSA-N 1 2 355.873 2.714 20 30 FFEDLO Cc1ccc2[nH+]cc(CNS(=O)(=O)c3ccc(C#N)cc3Cl)n2c1 ZINC001259113992 1039722708 /nfs/dbraw/zinc/72/27/08/1039722708.db2.gz OSSYKZBOCGPUPZ-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO N#Cc1cc(S(=O)(=O)Nc2cccc(Cn3cc[nH+]c3)c2)ccc1F ZINC001259417260 1039985451 /nfs/dbraw/zinc/98/54/51/1039985451.db2.gz MXROLCOQDRTICN-UHFFFAOYSA-N 1 2 356.382 2.743 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2nonc2C)C[C@H]1C)c1ccccc1 ZINC001211200160 1039993403 /nfs/dbraw/zinc/99/34/03/1039993403.db2.gz MHYHSINAEOFEJM-ZTFGCOKTSA-N 1 2 354.454 2.674 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2nonc2C)C[C@H]1C)c1ccccc1 ZINC001211200160 1039993412 /nfs/dbraw/zinc/99/34/12/1039993412.db2.gz MHYHSINAEOFEJM-ZTFGCOKTSA-N 1 2 354.454 2.674 20 30 FFEDLO CCc1noc([C@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)n1 ZINC001211223662 1040008426 /nfs/dbraw/zinc/00/84/26/1040008426.db2.gz BOCZVLUAKIWJJQ-SOLBZPMBSA-N 1 2 366.465 2.571 20 30 FFEDLO CCc1noc([C@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)n1 ZINC001211223662 1040008433 /nfs/dbraw/zinc/00/84/33/1040008433.db2.gz BOCZVLUAKIWJJQ-SOLBZPMBSA-N 1 2 366.465 2.571 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2nn(CC)nc2C)C[C@H]1C)c1ccccc1 ZINC001211241843 1040029024 /nfs/dbraw/zinc/02/90/24/1040029024.db2.gz PWVKABCAAVVADB-ATZDWAIDSA-N 1 2 367.497 2.513 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2nn(CC)nc2C)C[C@H]1C)c1ccccc1 ZINC001211241843 1040029041 /nfs/dbraw/zinc/02/90/41/1040029041.db2.gz PWVKABCAAVVADB-ATZDWAIDSA-N 1 2 367.497 2.513 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[N@@H+](CCC(=O)OCC)CC(=O)OCC ZINC001253239776 1040066438 /nfs/dbraw/zinc/06/64/38/1040066438.db2.gz SEQCVIXYKXCJEH-QGZVFWFLSA-N 1 2 357.491 2.692 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[N@H+](CCC(=O)OCC)CC(=O)OCC ZINC001253239776 1040066443 /nfs/dbraw/zinc/06/64/43/1040066443.db2.gz SEQCVIXYKXCJEH-QGZVFWFLSA-N 1 2 357.491 2.692 20 30 FFEDLO Cc1cccn2c([C@H](C)NS(=O)(=O)Cc3ccc(C#N)cc3)c[nH+]c12 ZINC001260048090 1040379093 /nfs/dbraw/zinc/37/90/93/1040379093.db2.gz KEYCVDUWGCTLQJ-AWEZNQCLSA-N 1 2 354.435 2.695 20 30 FFEDLO CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(F)cc1C#N)C2 ZINC001278749687 1040456663 /nfs/dbraw/zinc/45/66/63/1040456663.db2.gz PWJCEGZQBIEZPK-BEFAXECRSA-N 1 2 353.445 2.620 20 30 FFEDLO CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(F)cc1C#N)C2 ZINC001278749687 1040456670 /nfs/dbraw/zinc/45/66/70/1040456670.db2.gz PWJCEGZQBIEZPK-BEFAXECRSA-N 1 2 353.445 2.620 20 30 FFEDLO CCn1ccnc1C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1ccc(F)cc1C#N)C2 ZINC001278749687 1040456675 /nfs/dbraw/zinc/45/66/75/1040456675.db2.gz PWJCEGZQBIEZPK-BEFAXECRSA-N 1 2 353.445 2.620 20 30 FFEDLO CCn1ccnc1C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1ccc(F)cc1C#N)C2 ZINC001278749687 1040456682 /nfs/dbraw/zinc/45/66/82/1040456682.db2.gz PWJCEGZQBIEZPK-BEFAXECRSA-N 1 2 353.445 2.620 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnn2ccc(C#N)cc12 ZINC001249086988 1040575561 /nfs/dbraw/zinc/57/55/61/1040575561.db2.gz UGUDLIGYBAPLHK-CALCHBBNSA-N 1 2 367.453 2.790 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnn2ccc(C#N)cc12 ZINC001249086988 1040575568 /nfs/dbraw/zinc/57/55/68/1040575568.db2.gz UGUDLIGYBAPLHK-CALCHBBNSA-N 1 2 367.453 2.790 20 30 FFEDLO N#Cc1ccn2ncc(C[N@H+]3CCCN(C(=O)c4ccccc4)CC3)c2c1 ZINC001249118842 1040586414 /nfs/dbraw/zinc/58/64/14/1040586414.db2.gz LQTFXUVIJWFJLL-UHFFFAOYSA-N 1 2 359.433 2.554 20 30 FFEDLO N#Cc1ccn2ncc(C[N@@H+]3CCCN(C(=O)c4ccccc4)CC3)c2c1 ZINC001249118842 1040586430 /nfs/dbraw/zinc/58/64/30/1040586430.db2.gz LQTFXUVIJWFJLL-UHFFFAOYSA-N 1 2 359.433 2.554 20 30 FFEDLO CC[C@@H](C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213608709 1040716227 /nfs/dbraw/zinc/71/62/27/1040716227.db2.gz FEWBTHVFQQKILM-NSISKUIASA-N 1 2 360.473 2.819 20 30 FFEDLO CC[C@@H](C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213608709 1040716241 /nfs/dbraw/zinc/71/62/41/1040716241.db2.gz FEWBTHVFQQKILM-NSISKUIASA-N 1 2 360.473 2.819 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H](C)CC(C)C ZINC001213633633 1040741227 /nfs/dbraw/zinc/74/12/27/1040741227.db2.gz IJKJOGKHRMNXHJ-NSISKUIASA-N 1 2 360.473 2.675 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H](C)CC(C)C ZINC001213633633 1040741240 /nfs/dbraw/zinc/74/12/40/1040741240.db2.gz IJKJOGKHRMNXHJ-NSISKUIASA-N 1 2 360.473 2.675 20 30 FFEDLO CCC[C@H](CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213636157 1040748736 /nfs/dbraw/zinc/74/87/36/1040748736.db2.gz IFWXFEASCGRPGI-KFKAGJAMSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC[C@H](CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213636157 1040748749 /nfs/dbraw/zinc/74/87/49/1040748749.db2.gz IFWXFEASCGRPGI-KFKAGJAMSA-N 1 2 361.461 2.839 20 30 FFEDLO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@H+](Cc3cc4ccc(C#N)cc4[nH]3)[C@@H]2C1 ZINC001249428512 1040757885 /nfs/dbraw/zinc/75/78/85/1040757885.db2.gz RECFQAYFKRFWHH-PWIZWCRZSA-N 1 2 366.465 2.544 20 30 FFEDLO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@@H+](Cc3cc4ccc(C#N)cc4[nH]3)[C@@H]2C1 ZINC001249428512 1040757899 /nfs/dbraw/zinc/75/78/99/1040757899.db2.gz RECFQAYFKRFWHH-PWIZWCRZSA-N 1 2 366.465 2.544 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2c(Cl)ccc3ccccc32)C1 ZINC001213680783 1040789521 /nfs/dbraw/zinc/78/95/21/1040789521.db2.gz YJUQNBSOXVHGLH-OAHLLOKOSA-N 1 2 362.882 2.869 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(Cl)ccc3ccccc32)C1 ZINC001213680783 1040789534 /nfs/dbraw/zinc/78/95/34/1040789534.db2.gz YJUQNBSOXVHGLH-OAHLLOKOSA-N 1 2 362.882 2.869 20 30 FFEDLO C=CCO[C@@H]1CCN(c2nc(N3CC[C@H](OCC=C)C3)c(C3CC3)c[nH+]2)C1 ZINC001254547864 1040791315 /nfs/dbraw/zinc/79/13/15/1040791315.db2.gz ZCVYZRWEIHVCGV-ZWKOTPCHSA-N 1 2 370.497 2.917 20 30 FFEDLO C=C[C@H](COC)NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001537964632 1070304151 /nfs/dbraw/zinc/30/41/51/1070304151.db2.gz HARVQOVOAAHSAG-CVEARBPZSA-N 1 2 367.287 2.903 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC2(CCC(N3CC[NH2+]C[C@@H]3C#N)CC2)CC1 ZINC001254796067 1040962384 /nfs/dbraw/zinc/96/23/84/1040962384.db2.gz SFURJAIHTHUGMQ-KRWDZBQOSA-N 1 2 362.518 2.744 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([N@@H+]3CC[C@@H]4SC(=O)C=C4C3)C[C@@H]2C1 ZINC001254905814 1041041219 /nfs/dbraw/zinc/04/12/19/1041041219.db2.gz UKVLSINYZCPYHE-XRGAULLZSA-N 1 2 364.511 2.906 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([N@H+]3CC[C@@H]4SC(=O)C=C4C3)C[C@@H]2C1 ZINC001254905814 1041041228 /nfs/dbraw/zinc/04/12/28/1041041228.db2.gz UKVLSINYZCPYHE-XRGAULLZSA-N 1 2 364.511 2.906 20 30 FFEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C(=O)OCC ZINC001254971276 1041076566 /nfs/dbraw/zinc/07/65/66/1041076566.db2.gz YRTZZPDITDCJDG-BBNZOYGDSA-N 1 2 364.486 2.872 20 30 FFEDLO Cc1cc(CN2CC[C@H]3C[N@@H+](Cc4cc(C#N)n(C)c4)C[C@H]32)ccc1O ZINC001278605919 1041393026 /nfs/dbraw/zinc/39/30/26/1041393026.db2.gz MFJBBHOLFOVRFT-AZUAARDMSA-N 1 2 350.466 2.617 20 30 FFEDLO Cc1cc(CN2CC[C@H]3C[N@H+](Cc4cc(C#N)n(C)c4)C[C@H]32)ccc1O ZINC001278605919 1041393033 /nfs/dbraw/zinc/39/30/33/1041393033.db2.gz MFJBBHOLFOVRFT-AZUAARDMSA-N 1 2 350.466 2.617 20 30 FFEDLO C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1[NH2+]Cc1nc(C2CCCC2)no1 ZINC001214589573 1041495427 /nfs/dbraw/zinc/49/54/27/1041495427.db2.gz NQMBGVOMEITQIN-GDBMZVCRSA-N 1 2 358.486 2.713 20 30 FFEDLO CC1(C)C[C@H](N[NH+]=Cc2c(Cl)nc(N)nc2N2CCCC2)C(C)(C)O1 ZINC001262038839 1041523289 /nfs/dbraw/zinc/52/32/89/1041523289.db2.gz ASJHPQGBWJWPRP-LBPRGKRZSA-N 1 2 366.897 2.582 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001214708835 1041543644 /nfs/dbraw/zinc/54/36/44/1041543644.db2.gz ZQHOUHQQLDPLDC-RHSMWYFYSA-N 1 2 358.486 2.727 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC001214707789 1041544442 /nfs/dbraw/zinc/54/44/42/1041544442.db2.gz SPSRIOPZUMTWKJ-DGCLKSJQSA-N 1 2 354.401 2.712 20 30 FFEDLO C#CCC1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C4CCCC4)no3)C2)CCC1 ZINC001214829655 1041586331 /nfs/dbraw/zinc/58/63/31/1041586331.db2.gz CWKHHCAMHPPLLO-NVXWUHKLSA-N 1 2 370.497 2.857 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001262941296 1041978230 /nfs/dbraw/zinc/97/82/30/1041978230.db2.gz HYNCQYNHRVPXMT-OAGGEKHMSA-N 1 2 365.547 2.576 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001262941296 1041978233 /nfs/dbraw/zinc/97/82/33/1041978233.db2.gz HYNCQYNHRVPXMT-OAGGEKHMSA-N 1 2 365.547 2.576 20 30 FFEDLO N#CCCCN1CC[C@]2(CC[N@@H+](Cc3c(Cl)ncnc3Cl)C2)C1=O ZINC001276743067 1042060094 /nfs/dbraw/zinc/06/00/94/1042060094.db2.gz NHMBSYKWEPRXBH-INIZCTEOSA-N 1 2 368.268 2.512 20 30 FFEDLO N#CCCCN1CC[C@]2(CC[N@H+](Cc3c(Cl)ncnc3Cl)C2)C1=O ZINC001276743067 1042060097 /nfs/dbraw/zinc/06/00/97/1042060097.db2.gz NHMBSYKWEPRXBH-INIZCTEOSA-N 1 2 368.268 2.512 20 30 FFEDLO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3c(Cl)ncnc3Cl)C2)C1=O ZINC001276743344 1042063228 /nfs/dbraw/zinc/06/32/28/1042063228.db2.gz STFPZMKWLCSVHF-INIZCTEOSA-N 1 2 355.269 2.784 20 30 FFEDLO C=C(C)CN1CC[C@]2(CC[N@@H+](Cc3c(Cl)ncnc3Cl)C2)C1=O ZINC001276743344 1042063232 /nfs/dbraw/zinc/06/32/32/1042063232.db2.gz STFPZMKWLCSVHF-INIZCTEOSA-N 1 2 355.269 2.784 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001216810662 1042131546 /nfs/dbraw/zinc/13/15/46/1042131546.db2.gz VSOSNGNREAOUDV-ATZDWAIDSA-N 1 2 368.481 2.750 20 30 FFEDLO C#C[C@H]1CCCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2CCCOCC)C1 ZINC001263357971 1042259985 /nfs/dbraw/zinc/25/99/85/1042259985.db2.gz WAAVCGKXKYMQNQ-ROUUACIJSA-N 1 2 359.518 2.711 20 30 FFEDLO C#C[C@H]1CCCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2CCCOCC)C1 ZINC001263357971 1042259989 /nfs/dbraw/zinc/25/99/89/1042259989.db2.gz WAAVCGKXKYMQNQ-ROUUACIJSA-N 1 2 359.518 2.711 20 30 FFEDLO N#Cc1cccc(-n2ccc(C(=O)OCCc3cn4c([nH+]3)CCCC4)n2)c1 ZINC001263500821 1042345177 /nfs/dbraw/zinc/34/51/77/1042345177.db2.gz WBEREOWCUDWPFT-UHFFFAOYSA-N 1 2 361.405 2.676 20 30 FFEDLO CCc1nc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H](C)C#N)C2)cs1 ZINC001264444276 1042672155 /nfs/dbraw/zinc/67/21/55/1042672155.db2.gz NNFOOGVMJIPKSO-JCGIZDLHSA-N 1 2 368.506 2.949 20 30 FFEDLO CCc1nc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H](C)C#N)C2)cs1 ZINC001264444276 1042672158 /nfs/dbraw/zinc/67/21/58/1042672158.db2.gz NNFOOGVMJIPKSO-JCGIZDLHSA-N 1 2 368.506 2.949 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)CCCCC)[C@H]2C)c1 ZINC001264688736 1042779160 /nfs/dbraw/zinc/77/91/60/1042779160.db2.gz XFXQJTFXCFNDDP-APWZRJJASA-N 1 2 355.482 2.766 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)CCCCC)[C@H]2C)c1 ZINC001264688736 1042779165 /nfs/dbraw/zinc/77/91/65/1042779165.db2.gz XFXQJTFXCFNDDP-APWZRJJASA-N 1 2 355.482 2.766 20 30 FFEDLO N#CCc1ccccc1C[NH+]1CC2(CCN2C(=O)Cc2ccsc2)C1 ZINC001279375572 1043035976 /nfs/dbraw/zinc/03/59/76/1043035976.db2.gz BZZWKHOLMPHNAT-UHFFFAOYSA-N 1 2 351.475 2.844 20 30 FFEDLO N#CCC[N@@H+](Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCCC1 ZINC001237205280 1043052014 /nfs/dbraw/zinc/05/20/14/1043052014.db2.gz HWLKRPZMMPYASM-UHFFFAOYSA-N 1 2 361.511 2.580 20 30 FFEDLO N#CCC[N@H+](Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCCC1 ZINC001237205280 1043052022 /nfs/dbraw/zinc/05/20/22/1043052022.db2.gz HWLKRPZMMPYASM-UHFFFAOYSA-N 1 2 361.511 2.580 20 30 FFEDLO Cn1cc(CN2CCC23C[NH+](CCc2c(F)cccc2F)C3)cc1C#N ZINC001279478430 1043163798 /nfs/dbraw/zinc/16/37/98/1043163798.db2.gz IJCZDPWISBLOHO-UHFFFAOYSA-N 1 2 356.420 2.678 20 30 FFEDLO Cc1scnc1C[NH+]1CCC2(CN(Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001279561303 1043258185 /nfs/dbraw/zinc/25/81/85/1043258185.db2.gz JDZANFWKCZHTNE-UHFFFAOYSA-N 1 2 355.511 2.760 20 30 FFEDLO N#Cc1ccc2nc(C[NH+]3CCC(n4c(=O)oc5ccccc54)CC3)cn2c1 ZINC001237615009 1043273273 /nfs/dbraw/zinc/27/32/73/1043273273.db2.gz SBMYTDVRKLXGJT-UHFFFAOYSA-N 1 2 373.416 2.951 20 30 FFEDLO CCc1[nH]ncc1C[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001237654495 1043295204 /nfs/dbraw/zinc/29/52/04/1043295204.db2.gz INCWWFYRFCHLLC-UHFFFAOYSA-N 1 2 352.442 2.630 20 30 FFEDLO C=CCC1(S(=O)(=O)Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)CC1 ZINC001237985803 1043468294 /nfs/dbraw/zinc/46/82/94/1043468294.db2.gz LDCBTJGRMYPFDA-OAHLLOKOSA-N 1 2 372.437 2.913 20 30 FFEDLO Cc1ncsc1C[N@@H+]1CCO[C@@]2(CCCN(Cc3[nH]ccc3C#N)C2)C1 ZINC001279688451 1043469909 /nfs/dbraw/zinc/46/99/09/1043469909.db2.gz QYEBONJAZISQEU-LJQANCHMSA-N 1 2 371.510 2.518 20 30 FFEDLO Cc1ncsc1C[N@H+]1CCO[C@@]2(CCCN(Cc3[nH]ccc3C#N)C2)C1 ZINC001279688451 1043469915 /nfs/dbraw/zinc/46/99/15/1043469915.db2.gz QYEBONJAZISQEU-LJQANCHMSA-N 1 2 371.510 2.518 20 30 FFEDLO Cn1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(O)cc(F)c2)cc1C#N ZINC001279705961 1043500079 /nfs/dbraw/zinc/50/00/79/1043500079.db2.gz FXBATLHXHATDAM-HDICACEKSA-N 1 2 354.429 2.590 20 30 FFEDLO Cn1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(O)cc(F)c2)cc1C#N ZINC001279705961 1043500089 /nfs/dbraw/zinc/50/00/89/1043500089.db2.gz FXBATLHXHATDAM-HDICACEKSA-N 1 2 354.429 2.590 20 30 FFEDLO N#Cc1cc(CN2CCc3[nH+]cc(Cn4cccn4)n3CC2)ccc1Cl ZINC001238191077 1043599857 /nfs/dbraw/zinc/59/98/57/1043599857.db2.gz PCTNUUMNIOGOQS-UHFFFAOYSA-N 1 2 366.856 2.711 20 30 FFEDLO N#Cc1cc(CN2CC([NH+]3CCN(c4ccccn4)CC3)C2)ccc1Cl ZINC001238198949 1043603998 /nfs/dbraw/zinc/60/39/98/1043603998.db2.gz NNPKYLKNMVSDDM-UHFFFAOYSA-N 1 2 367.884 2.613 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3OCCN(CCCC(F)(F)F)[C@H]3C2)c1F ZINC001279763145 1043606019 /nfs/dbraw/zinc/60/60/19/1043606019.db2.gz QZSDHWSRWVQOJP-HOTGVXAUSA-N 1 2 371.378 2.925 20 30 FFEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3OCCN(CCCC(F)(F)F)[C@H]3C2)c1F ZINC001279763145 1043606025 /nfs/dbraw/zinc/60/60/25/1043606025.db2.gz QZSDHWSRWVQOJP-HOTGVXAUSA-N 1 2 371.378 2.925 20 30 FFEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CCCC(F)(F)F)c1F ZINC001279763143 1043606297 /nfs/dbraw/zinc/60/62/97/1043606297.db2.gz QZSDHWSRWVQOJP-CVEARBPZSA-N 1 2 371.378 2.925 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CCCC(F)(F)F)c1F ZINC001279763143 1043606302 /nfs/dbraw/zinc/60/63/02/1043606302.db2.gz QZSDHWSRWVQOJP-CVEARBPZSA-N 1 2 371.378 2.925 20 30 FFEDLO C=CCCCCCC[N@@H+]1CCc2[nH]nc(C(=O)N3CC(CC#N)C3)c2C1 ZINC001279831563 1043736651 /nfs/dbraw/zinc/73/66/51/1043736651.db2.gz KSDCDJNSCUODFQ-UHFFFAOYSA-N 1 2 355.486 2.890 20 30 FFEDLO C=CCCCCCC[N@H+]1CCc2[nH]nc(C(=O)N3CC(CC#N)C3)c2C1 ZINC001279831563 1043736656 /nfs/dbraw/zinc/73/66/56/1043736656.db2.gz KSDCDJNSCUODFQ-UHFFFAOYSA-N 1 2 355.486 2.890 20 30 FFEDLO N#Cc1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001239093590 1044018563 /nfs/dbraw/zinc/01/85/63/1044018563.db2.gz OUAOIFWHNZFRIV-INIZCTEOSA-N 1 2 361.854 2.547 20 30 FFEDLO CC(C)(C)NC(=O)[C@H]1CCC2(C[NH+](CCCc3cccc(C#N)c3)C2)O1 ZINC001280059733 1044150613 /nfs/dbraw/zinc/15/06/13/1044150613.db2.gz XKHFLLHEPPFDHY-GOSISDBHSA-N 1 2 355.482 2.639 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N2CCOc1ccccc1C#N ZINC001280060908 1044151703 /nfs/dbraw/zinc/15/17/03/1044151703.db2.gz XJSIBWYSNMJXRX-CALCHBBNSA-N 1 2 354.479 2.661 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2CCOc1ccccc1C#N ZINC001280060908 1044151711 /nfs/dbraw/zinc/15/17/11/1044151711.db2.gz XJSIBWYSNMJXRX-CALCHBBNSA-N 1 2 354.479 2.661 20 30 FFEDLO CC1(C[N@@H+]2CCc3c(n[nH]c3C(=O)NC3(C#N)CCC3)C2)CCCCC1 ZINC001280070241 1044167327 /nfs/dbraw/zinc/16/73/27/1044167327.db2.gz PNSWNQCLBZAWTL-UHFFFAOYSA-N 1 2 355.486 2.914 20 30 FFEDLO CC1(C[N@H+]2CCc3c(n[nH]c3C(=O)NC3(C#N)CCC3)C2)CCCCC1 ZINC001280070241 1044167332 /nfs/dbraw/zinc/16/73/32/1044167332.db2.gz PNSWNQCLBZAWTL-UHFFFAOYSA-N 1 2 355.486 2.914 20 30 FFEDLO C#CCN(C(=O)N[C@H](CC)C[NH+]1CCOCC1)[C@@H]1CCCc2ccccc21 ZINC001313316643 1044312426 /nfs/dbraw/zinc/31/24/26/1044312426.db2.gz BBCRRXUXVXPQQV-TZIWHRDSSA-N 1 2 369.509 2.820 20 30 FFEDLO N#CC1(NC(=O)[C@@H]2CC23C[NH+](Cc2cnc4[nH]ccc4c2Cl)C3)CCC1 ZINC001280214120 1044406783 /nfs/dbraw/zinc/40/67/83/1044406783.db2.gz CGRSYEDUIVPKKY-AWEZNQCLSA-N 1 2 369.856 2.552 20 30 FFEDLO Cc1cc(-c2ccc(NCC[NH+]3CCN(C)CC3)nc2)cc(F)c1C#N ZINC001241565411 1044548588 /nfs/dbraw/zinc/54/85/88/1044548588.db2.gz HYUPOONPGQGKOY-UHFFFAOYSA-N 1 2 353.445 2.727 20 30 FFEDLO N#Cc1c2ccccc2[nH]c1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001539277193 1070603653 /nfs/dbraw/zinc/60/36/53/1070603653.db2.gz BNVRCTIUXAKDRR-KRWDZBQOSA-N 1 2 374.444 2.670 20 30 FFEDLO N#Cc1c2ccccc2[nH]c1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001539277193 1070603655 /nfs/dbraw/zinc/60/36/55/1070603655.db2.gz BNVRCTIUXAKDRR-KRWDZBQOSA-N 1 2 374.444 2.670 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H]1C)C1CC1 ZINC001316781128 1044945020 /nfs/dbraw/zinc/94/50/20/1044945020.db2.gz HXWGDPRBXPNOGB-MDASCCDHSA-N 1 2 360.885 2.696 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1C)C1CC1 ZINC001316781128 1044945026 /nfs/dbraw/zinc/94/50/26/1044945026.db2.gz HXWGDPRBXPNOGB-MDASCCDHSA-N 1 2 360.885 2.696 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001281763874 1045090967 /nfs/dbraw/zinc/09/09/67/1045090967.db2.gz RCCRRHZVBBAWRW-UWWQBHOKSA-N 1 2 370.497 2.561 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ccccc1Br ZINC001317461870 1045097179 /nfs/dbraw/zinc/09/71/79/1045097179.db2.gz UMHVOOQMMNNPQF-ZBFHGGJFSA-N 1 2 367.287 2.588 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccccc1Br ZINC001317461870 1045097191 /nfs/dbraw/zinc/09/71/91/1045097191.db2.gz UMHVOOQMMNNPQF-ZBFHGGJFSA-N 1 2 367.287 2.588 20 30 FFEDLO CC(=NNC(=S)NCc1cccnc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001317716491 1045124977 /nfs/dbraw/zinc/12/49/77/1045124977.db2.gz CYPXOFNCSRQEKW-UHFFFAOYSA-N 1 2 350.451 2.656 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CCCOC2CCCC2)CC1 ZINC001539429843 1070635853 /nfs/dbraw/zinc/63/58/53/1070635853.db2.gz DUXBTJGBAHEUAF-UHFFFAOYSA-N 1 2 359.518 2.506 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CC[C@H](C)C2)CC1 ZINC001539444500 1070639494 /nfs/dbraw/zinc/63/94/94/1070639494.db2.gz PYIBUNFBVUBDGN-ZWKOTPCHSA-N 1 2 364.497 2.532 20 30 FFEDLO C=C[C@H](COC)NC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001320295002 1045385084 /nfs/dbraw/zinc/38/50/84/1045385084.db2.gz SVNOLHBIKRBPMP-CVEARBPZSA-N 1 2 369.868 2.944 20 30 FFEDLO C=C[C@H](COC)NC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001320295002 1045385089 /nfs/dbraw/zinc/38/50/89/1045385089.db2.gz SVNOLHBIKRBPMP-CVEARBPZSA-N 1 2 369.868 2.944 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(-c3cnn(C)c3)cc2)n1 ZINC001321201890 1045584299 /nfs/dbraw/zinc/58/42/99/1045584299.db2.gz ANWDLGRQJLKKMV-UHFFFAOYSA-N 1 2 363.465 2.565 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(-c3cnn(C)c3)cc2)n1 ZINC001321201890 1045584307 /nfs/dbraw/zinc/58/43/07/1045584307.db2.gz ANWDLGRQJLKKMV-UHFFFAOYSA-N 1 2 363.465 2.565 20 30 FFEDLO CC(=O)N(c1nc(C[NH2+]Cc2cccc(OCC#N)c2)cs1)C1CC1 ZINC001323475642 1045605295 /nfs/dbraw/zinc/60/52/95/1045605295.db2.gz LQVOMPWSEZQHGA-UHFFFAOYSA-N 1 2 356.451 2.851 20 30 FFEDLO CCOC(=O)COc1cccc(C(=O)/C=C\c2ccc[nH+]c2N(C)C)c1 ZINC001323543989 1045632541 /nfs/dbraw/zinc/63/25/41/1045632541.db2.gz DGDUWBUUKQMSMH-KHPPLWFESA-N 1 2 354.406 2.986 20 30 FFEDLO C=CCC1(C(=O)NC[C@]23CCC[C@H]2N(C(=O)Cn2cc[nH+]c2)CC3)CCC1 ZINC001282583003 1045928138 /nfs/dbraw/zinc/92/81/38/1045928138.db2.gz CDFRBDVTHVTCQS-DYESRHJHSA-N 1 2 370.497 2.517 20 30 FFEDLO C=CCNC(=O)c1ccccc1NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001539961992 1070733079 /nfs/dbraw/zinc/73/30/79/1070733079.db2.gz HFJMIQKBMALHKZ-UHFFFAOYSA-N 1 2 360.417 2.969 20 30 FFEDLO C=CCCC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001282836320 1046293574 /nfs/dbraw/zinc/29/35/74/1046293574.db2.gz UGIUFMCYMNIDGN-MRUHUIDDSA-N 1 2 370.497 2.541 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCC1 ZINC001284368612 1046526470 /nfs/dbraw/zinc/52/64/70/1046526470.db2.gz PIPDIIVVRZPFPJ-GVDBMIGSSA-N 1 2 370.497 2.614 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCC1 ZINC001284368612 1046526480 /nfs/dbraw/zinc/52/64/80/1046526480.db2.gz PIPDIIVVRZPFPJ-GVDBMIGSSA-N 1 2 370.497 2.614 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(CC2CC2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001286305793 1047071753 /nfs/dbraw/zinc/07/17/53/1047071753.db2.gz VNVXFRRXVUMZDM-QGZVFWFLSA-N 1 2 374.492 2.982 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)C(C)C)CC1 ZINC001286477248 1047121319 /nfs/dbraw/zinc/12/13/19/1047121319.db2.gz TVQZPVDMCQIBNA-UHFFFAOYSA-N 1 2 368.529 2.721 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CCC2CC(OCC)C2)CC1 ZINC001286472905 1047121586 /nfs/dbraw/zinc/12/15/86/1047121586.db2.gz XANUPOFQFUVYPE-LMDPOFIKSA-N 1 2 373.545 2.752 20 30 FFEDLO C=C(Cn1c(C(C)C)nnc1N(C)CC[NH+]1CCOCC1)c1ccccc1 ZINC001286615769 1047139724 /nfs/dbraw/zinc/13/97/24/1047139724.db2.gz TUHJHJTZDFDLQT-UHFFFAOYSA-N 1 2 369.513 2.883 20 30 FFEDLO C=CC(C)(C)CC(=O)N(C)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001288171199 1047411176 /nfs/dbraw/zinc/41/11/76/1047411176.db2.gz BSWFOHZSTSKEAQ-HZPDHXFCSA-N 1 2 360.502 2.811 20 30 FFEDLO C=CC(C)(C)CC(=O)N(C)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001288171199 1047411179 /nfs/dbraw/zinc/41/11/79/1047411179.db2.gz BSWFOHZSTSKEAQ-HZPDHXFCSA-N 1 2 360.502 2.811 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]21 ZINC001288986880 1047551684 /nfs/dbraw/zinc/55/16/84/1047551684.db2.gz FRBHNARFOLQJGJ-SOLBZPMBSA-N 1 2 366.465 2.610 20 30 FFEDLO C=CCC(C)(C)C(=O)NCC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001291613119 1048753309 /nfs/dbraw/zinc/75/33/09/1048753309.db2.gz OBPTVFUEJISJGK-HZPDHXFCSA-N 1 2 360.502 2.545 20 30 FFEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001291964731 1049024398 /nfs/dbraw/zinc/02/43/98/1049024398.db2.gz SOIBKRGAVHFMDU-RDGPPVDQSA-N 1 2 370.497 2.666 20 30 FFEDLO C=C(C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001292141291 1049140374 /nfs/dbraw/zinc/14/03/74/1049140374.db2.gz IYEBOJHBOUYBPR-ZACQAIPSSA-N 1 2 358.486 2.531 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCCSCc2ccccc2C#N)[nH]n1 ZINC001333986081 1049192292 /nfs/dbraw/zinc/19/22/92/1049192292.db2.gz YNSBWUANBCRHEU-GOSISDBHSA-N 1 2 369.494 2.711 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCCSCc2ccccc2C#N)[nH]n1 ZINC001333986081 1049192298 /nfs/dbraw/zinc/19/22/98/1049192298.db2.gz YNSBWUANBCRHEU-GOSISDBHSA-N 1 2 369.494 2.711 20 30 FFEDLO Cc1cc(C[N@@H+]2CCCN(c3c(C#N)cnn3-c3ccccc3)CC2)no1 ZINC001331258008 1049534602 /nfs/dbraw/zinc/53/46/02/1049534602.db2.gz RMFMPWADPKHHEO-UHFFFAOYSA-N 1 2 362.437 2.753 20 30 FFEDLO Cc1cc(C[N@H+]2CCCN(c3c(C#N)cnn3-c3ccccc3)CC2)no1 ZINC001331258008 1049534618 /nfs/dbraw/zinc/53/46/18/1049534618.db2.gz RMFMPWADPKHHEO-UHFFFAOYSA-N 1 2 362.437 2.753 20 30 FFEDLO C=C1CC(C)(C(=O)NCC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001297901317 1050324980 /nfs/dbraw/zinc/32/49/80/1050324980.db2.gz ZJZQMZAIJJWRFP-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CC(C)(C(=O)NCC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001297901317 1050324991 /nfs/dbraw/zinc/32/49/91/1050324991.db2.gz ZJZQMZAIJJWRFP-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H](OC(C)C)C1 ZINC001341756065 1050372270 /nfs/dbraw/zinc/37/22/70/1050372270.db2.gz NQPSAVPMHJVEMN-INIZCTEOSA-N 1 2 358.490 2.572 20 30 FFEDLO Cc1ccc(CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1C#N ZINC001340130360 1050533127 /nfs/dbraw/zinc/53/31/27/1050533127.db2.gz CDNDRJMLNOWKOQ-QGZVFWFLSA-N 1 2 351.454 2.765 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001340194671 1050602760 /nfs/dbraw/zinc/60/27/60/1050602760.db2.gz CIGBHWUOIXWHMR-XMTFNYHQSA-N 1 2 357.502 2.626 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001340194671 1050602765 /nfs/dbraw/zinc/60/27/65/1050602765.db2.gz CIGBHWUOIXWHMR-XMTFNYHQSA-N 1 2 357.502 2.626 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001340298199 1050698234 /nfs/dbraw/zinc/69/82/34/1050698234.db2.gz XZXWAHIHRWUDQR-SFHVURJKSA-N 1 2 359.518 2.703 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N(CC)CC1CCC1 ZINC001342130242 1050723860 /nfs/dbraw/zinc/72/38/60/1050723860.db2.gz RJJUMQWZTLUOQN-UHFFFAOYSA-N 1 2 361.534 2.685 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC001342247118 1050839330 /nfs/dbraw/zinc/83/93/30/1050839330.db2.gz HVCHANMECWUUJA-KURKYZTESA-N 1 2 372.517 2.764 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC001342247118 1050839334 /nfs/dbraw/zinc/83/93/34/1050839334.db2.gz HVCHANMECWUUJA-KURKYZTESA-N 1 2 372.517 2.764 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C[C@@H]1CCC(=O)N1)C(C)C ZINC001342327817 1050921329 /nfs/dbraw/zinc/92/13/29/1050921329.db2.gz FVIPQCPJZRFFRN-IRXDYDNUSA-N 1 2 374.533 2.504 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C[C@@H]1CCC(=O)N1)C(C)C ZINC001342327817 1050921348 /nfs/dbraw/zinc/92/13/48/1050921348.db2.gz FVIPQCPJZRFFRN-IRXDYDNUSA-N 1 2 374.533 2.504 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc(Cc3[nH+]ccn3C)n2CCc2ccccc2)C1 ZINC001342363560 1050958478 /nfs/dbraw/zinc/95/84/78/1050958478.db2.gz OOSOLSLTKHFEGR-GOSISDBHSA-N 1 2 374.492 2.695 20 30 FFEDLO C=CCn1c(N2CC3(CC3)c3ccccc32)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340700084 1051065185 /nfs/dbraw/zinc/06/51/85/1051065185.db2.gz BAQZOFGDTBNVLL-FOIQADDNSA-N 1 2 365.481 2.559 20 30 FFEDLO C=CCn1c(N2CC3(CC3)c3ccccc32)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340700084 1051065193 /nfs/dbraw/zinc/06/51/93/1051065193.db2.gz BAQZOFGDTBNVLL-FOIQADDNSA-N 1 2 365.481 2.559 20 30 FFEDLO C=CCn1c(N2Cc3ccccc3[C@@H]2CC)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340714738 1051075419 /nfs/dbraw/zinc/07/54/19/1051075419.db2.gz CICAAGADNIINSD-MMOPVJDHSA-N 1 2 367.497 2.847 20 30 FFEDLO C=CCn1c(N2Cc3ccccc3[C@@H]2CC)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340714738 1051075431 /nfs/dbraw/zinc/07/54/31/1051075431.db2.gz CICAAGADNIINSD-MMOPVJDHSA-N 1 2 367.497 2.847 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C(C)(C)C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001342523088 1051126269 /nfs/dbraw/zinc/12/62/69/1051126269.db2.gz PDWAUQZHIHPTGF-YRNRMSPPSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C(C)(C)C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001342523088 1051126274 /nfs/dbraw/zinc/12/62/74/1051126274.db2.gz PDWAUQZHIHPTGF-YRNRMSPPSA-N 1 2 361.534 2.638 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1cnc(C)s1 ZINC001342685806 1051298035 /nfs/dbraw/zinc/29/80/35/1051298035.db2.gz NEJSIKSEBFQAEM-UHFFFAOYSA-N 1 2 373.530 2.792 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC(C)C ZINC001342805544 1051414248 /nfs/dbraw/zinc/41/42/48/1051414248.db2.gz WCVAQMRQSJJVHV-GUDVDZBRSA-N 1 2 371.529 2.852 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC(C)C ZINC001342805544 1051414253 /nfs/dbraw/zinc/41/42/53/1051414253.db2.gz WCVAQMRQSJJVHV-GUDVDZBRSA-N 1 2 371.529 2.852 20 30 FFEDLO C#CCOCC[N@@H+](C)Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001341257333 1051616094 /nfs/dbraw/zinc/61/60/94/1051616094.db2.gz NAVIYUIPFQQZLB-UHFFFAOYSA-N 1 2 357.475 2.909 20 30 FFEDLO C#CCOCC[N@H+](C)Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001341257333 1051616099 /nfs/dbraw/zinc/61/60/99/1051616099.db2.gz NAVIYUIPFQQZLB-UHFFFAOYSA-N 1 2 357.475 2.909 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCCC(F)(F)C1 ZINC001343007818 1051622732 /nfs/dbraw/zinc/62/27/32/1051622732.db2.gz VIQZFYPPZPRTMX-HNNXBMFYSA-N 1 2 369.460 2.871 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCCC(F)(F)C1 ZINC001343007818 1051622736 /nfs/dbraw/zinc/62/27/36/1051622736.db2.gz VIQZFYPPZPRTMX-HNNXBMFYSA-N 1 2 369.460 2.871 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C[C@H](C)COC)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001316739441 1052077129 /nfs/dbraw/zinc/07/71/29/1052077129.db2.gz AEKRHVOMPQZWQR-ZOCIIQOWSA-N 1 2 361.461 2.839 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C[C@H](C)COC)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001316739441 1052077139 /nfs/dbraw/zinc/07/71/39/1052077139.db2.gz AEKRHVOMPQZWQR-ZOCIIQOWSA-N 1 2 361.461 2.839 20 30 FFEDLO Cc1ccc(C(=O)OCC#Cc2csc(C[NH+]3CCOCC3)c2)nc1C ZINC001344935842 1052145095 /nfs/dbraw/zinc/14/50/95/1052145095.db2.gz HMHDOLOGXIXBKP-UHFFFAOYSA-N 1 2 370.474 2.801 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CC#Cc2ccccc2)CC[N@@H+]1Cc1cc(C)on1 ZINC001316742177 1052195599 /nfs/dbraw/zinc/19/55/99/1052195599.db2.gz KZWQVTFIJPDZNV-VQTJNVASSA-N 1 2 351.450 2.894 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CC#Cc2ccccc2)CC[N@H+]1Cc1cc(C)on1 ZINC001316742177 1052195607 /nfs/dbraw/zinc/19/56/07/1052195607.db2.gz KZWQVTFIJPDZNV-VQTJNVASSA-N 1 2 351.450 2.894 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)n2CC(C)C)C1 ZINC001343469560 1052251381 /nfs/dbraw/zinc/25/13/81/1052251381.db2.gz OIRQQLWGFGBTID-QYZOEREBSA-N 1 2 371.529 2.710 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)n2CC(C)C)C1 ZINC001343469560 1052251386 /nfs/dbraw/zinc/25/13/86/1052251386.db2.gz OIRQQLWGFGBTID-QYZOEREBSA-N 1 2 371.529 2.710 20 30 FFEDLO COc1cccc(C[NH+]2CCN(c3cc(C#N)sc3[N+](=O)[O-])CC2)c1 ZINC001307189599 1052264580 /nfs/dbraw/zinc/26/45/80/1052264580.db2.gz HSGDBCFGALZDGD-UHFFFAOYSA-N 1 2 358.423 2.859 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCO[C@](C)(C(F)F)C1 ZINC001343772104 1052411376 /nfs/dbraw/zinc/41/13/76/1052411376.db2.gz LZCMXOKWMXAVLZ-SFHVURJKSA-N 1 2 369.460 2.701 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001343784567 1052418321 /nfs/dbraw/zinc/41/83/21/1052418321.db2.gz XAMBGUAUJKZOCM-BBWFWOEESA-N 1 2 359.518 2.728 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001343784567 1052418324 /nfs/dbraw/zinc/41/83/24/1052418324.db2.gz XAMBGUAUJKZOCM-BBWFWOEESA-N 1 2 359.518 2.728 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC001343935995 1052498765 /nfs/dbraw/zinc/49/87/65/1052498765.db2.gz NCISMAOUXMBNFG-SJLPKXTDSA-N 1 2 359.518 2.844 20 30 FFEDLO C=CCC1(O)CCN(c2nnc(C[NH+]3CCCCC3)n2CC(=C)C)CC1 ZINC001343935760 1052498872 /nfs/dbraw/zinc/49/88/72/1052498872.db2.gz FJKMUXQEBGHWGU-UHFFFAOYSA-N 1 2 359.518 2.748 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(F)(F)C1 ZINC001343946839 1052505020 /nfs/dbraw/zinc/50/50/20/1052505020.db2.gz DOXVYFGUWLPSRE-CABCVRRESA-N 1 2 367.444 2.625 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(F)(F)C1 ZINC001343946839 1052505024 /nfs/dbraw/zinc/50/50/24/1052505024.db2.gz DOXVYFGUWLPSRE-CABCVRRESA-N 1 2 367.444 2.625 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(C)(F)CC1 ZINC001343957750 1052511726 /nfs/dbraw/zinc/51/17/26/1052511726.db2.gz QVAXMAGETCLSRN-MRXNPFEDSA-N 1 2 365.497 2.964 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(C)(F)CC1 ZINC001343957750 1052511731 /nfs/dbraw/zinc/51/17/31/1052511731.db2.gz QVAXMAGETCLSRN-MRXNPFEDSA-N 1 2 365.497 2.964 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](Cn1c(C)nnc1N(CCC#N)CC1CC1)CCC2 ZINC001542832727 1071317078 /nfs/dbraw/zinc/31/70/78/1071317078.db2.gz WSQAUOYIIGAXDY-QGZVFWFLSA-N 1 2 353.474 2.799 20 30 FFEDLO COCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001345706849 1052582925 /nfs/dbraw/zinc/58/29/25/1052582925.db2.gz TVAWQFIVYAOGFR-SJORKVTESA-N 1 2 374.533 2.642 20 30 FFEDLO C=CCN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@H]1CCCCO1 ZINC001345791955 1052614016 /nfs/dbraw/zinc/61/40/16/1052614016.db2.gz IRSZUFQBGPMFEG-GOSISDBHSA-N 1 2 372.517 2.562 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001345983793 1052695479 /nfs/dbraw/zinc/69/54/79/1052695479.db2.gz HLWWAOIBTCUWNT-KGLIPLIRSA-N 1 2 373.423 2.606 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001347128588 1053647080 /nfs/dbraw/zinc/64/70/80/1053647080.db2.gz AFHRASCCMKMQRY-BDXSIMOUSA-N 1 2 372.513 2.777 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2C[C@@H]2CCOC2)C1 ZINC001349036659 1055061047 /nfs/dbraw/zinc/06/10/47/1055061047.db2.gz YYCNGZYQFBTAKU-MOPGFXCFSA-N 1 2 371.529 2.540 20 30 FFEDLO COC(=O)/C=C\c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)o1 ZINC000848883747 1055298439 /nfs/dbraw/zinc/29/84/39/1055298439.db2.gz RZEWOUOYQGLZJV-ALCCZGGFSA-N 1 2 369.396 2.799 20 30 FFEDLO C=CCn1c(N2CCC3(CCCCC3)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001356134210 1055320975 /nfs/dbraw/zinc/32/09/75/1055320975.db2.gz LVCJJVVZDQSQHI-XLIONFOSSA-N 1 2 373.545 2.926 20 30 FFEDLO C=CCn1c(N2CCC3(CCCCC3)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001356134210 1055320988 /nfs/dbraw/zinc/32/09/88/1055320988.db2.gz LVCJJVVZDQSQHI-XLIONFOSSA-N 1 2 373.545 2.926 20 30 FFEDLO C=C(C)C[C@H](NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)C(=O)OC ZINC000601787183 1055429365 /nfs/dbraw/zinc/42/93/65/1055429365.db2.gz KNDVJOGQWXTBSG-KRWDZBQOSA-N 1 2 368.437 2.635 20 30 FFEDLO C#C[C@H]1CCCN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000847326297 1055503494 /nfs/dbraw/zinc/50/34/94/1055503494.db2.gz NZUALVONQXELFQ-KRWDZBQOSA-N 1 2 354.498 2.776 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H](CC#N)C1 ZINC001352495185 1055525151 /nfs/dbraw/zinc/52/51/51/1055525151.db2.gz PRAQYARRXWHORG-MRXNPFEDSA-N 1 2 355.490 2.521 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1cnn(CC)c1 ZINC001357127153 1055786288 /nfs/dbraw/zinc/78/62/88/1055786288.db2.gz RIFFZPSSWSJEJE-QGZVFWFLSA-N 1 2 357.506 2.864 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)Cc1cnn(CC)c1 ZINC001357127153 1055786299 /nfs/dbraw/zinc/78/62/99/1055786299.db2.gz RIFFZPSSWSJEJE-QGZVFWFLSA-N 1 2 357.506 2.864 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC001338963977 1055971188 /nfs/dbraw/zinc/97/11/88/1055971188.db2.gz VOKDTSXSRHKQCK-WDSOQIARSA-N 1 2 373.545 2.683 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001357947638 1056077255 /nfs/dbraw/zinc/07/72/55/1056077255.db2.gz UVUZDRABUKJZHI-JKSUJKDBSA-N 1 2 365.485 2.585 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@@H](C)Cc1ccc(O)cc1 ZINC001339091275 1056082846 /nfs/dbraw/zinc/08/28/46/1056082846.db2.gz RCUHRBDDBZNVQB-HNNXBMFYSA-N 1 2 366.469 2.561 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@](F)(c2ccccc2)C1 ZINC001339091559 1056083569 /nfs/dbraw/zinc/08/35/69/1056083569.db2.gz XKZWXGYIQBNFDB-HXUWFJFHSA-N 1 2 366.444 2.864 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@@H](c2nnc(N(C)[C@H](C)c3cccc(C#N)c3)n2C)C1 ZINC001351229064 1056145252 /nfs/dbraw/zinc/14/52/52/1056145252.db2.gz WBZNWLSBXGFMDB-CRAIPNDOSA-N 1 2 368.485 2.666 20 30 FFEDLO CC(C)[N@H+]1CCO[C@@H](c2nnc(N(C)[C@H](C)c3cccc(C#N)c3)n2C)C1 ZINC001351229064 1056145258 /nfs/dbraw/zinc/14/52/58/1056145258.db2.gz WBZNWLSBXGFMDB-CRAIPNDOSA-N 1 2 368.485 2.666 20 30 FFEDLO N#CC1(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCCC1 ZINC001353352826 1056326720 /nfs/dbraw/zinc/32/67/20/1056326720.db2.gz HSGKJYYOUDMKOC-UHFFFAOYSA-N 1 2 371.300 2.896 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CCCNc1cccc[nH+]1 ZINC001358888658 1056583746 /nfs/dbraw/zinc/58/37/46/1056583746.db2.gz QCFFPRJDXULTGM-DLBZAZTESA-N 1 2 368.485 2.875 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)C(C)C)CC1 ZINC001359039359 1056670624 /nfs/dbraw/zinc/67/06/24/1056670624.db2.gz FPUMDDSIIOKKFG-QGZVFWFLSA-N 1 2 359.518 2.567 20 30 FFEDLO C[C@@H]1CCC[C@H](CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])O1 ZINC000849174621 1056789966 /nfs/dbraw/zinc/78/99/66/1056789966.db2.gz SCMMKLZRLZWWSB-ZIAGYGMSSA-N 1 2 354.454 2.604 20 30 FFEDLO CC(C)C[C@H](C(=O)N1CCN(c2ccccc2C#N)CC1)n1cc[nH+]c1 ZINC001442883187 1058169353 /nfs/dbraw/zinc/16/93/53/1058169353.db2.gz SEUMQTDYDDUMMQ-LJQANCHMSA-N 1 2 351.454 2.691 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2C[C@@H]2CCCO2)C1 ZINC001518120000 1058275560 /nfs/dbraw/zinc/27/55/60/1058275560.db2.gz YDUVCZBBOJXSJB-OALUTQOASA-N 1 2 371.529 2.683 20 30 FFEDLO CC[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001545402769 1071778532 /nfs/dbraw/zinc/77/85/32/1071778532.db2.gz FBYPUCMZTBVPAW-IAGOWNOFSA-N 1 2 374.533 2.642 20 30 FFEDLO COCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCCCCCC1 ZINC001514679795 1059052974 /nfs/dbraw/zinc/05/29/74/1059052974.db2.gz GTKPYQJVDWSSJY-UHFFFAOYSA-N 1 2 374.533 2.788 20 30 FFEDLO COc1cc[nH+]cc1Cn1c([C@H]2CCCCO2)nnc1N(C)C[C@H](C)C#N ZINC001504460172 1059183785 /nfs/dbraw/zinc/18/37/85/1059183785.db2.gz UBBBTGUEBYMTFE-RHSMWYFYSA-N 1 2 370.457 2.567 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C)n2Cc2cccc(C(C)(F)F)c2)CC1 ZINC001300685282 1059326677 /nfs/dbraw/zinc/32/66/77/1059326677.db2.gz KNGUUZQOLIVKOY-UHFFFAOYSA-N 1 2 359.424 2.502 20 30 FFEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3coc(C#N)c3)CCCC2)no1 ZINC001515311258 1059534071 /nfs/dbraw/zinc/53/40/71/1059534071.db2.gz YIIGTOPLPMCCDB-UHFFFAOYSA-N 1 2 357.414 2.575 20 30 FFEDLO C=C1CCC(C(=O)N(C)C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001002643881 1059551016 /nfs/dbraw/zinc/55/10/16/1059551016.db2.gz RFNDZMBCXJTICG-KZNAEPCWSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C1CCC(C(=O)N(C)C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001002643881 1059551036 /nfs/dbraw/zinc/55/10/36/1059551036.db2.gz RFNDZMBCXJTICG-KZNAEPCWSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](c2ccn(C)n2)C1 ZINC001520304963 1059590147 /nfs/dbraw/zinc/59/01/47/1059590147.db2.gz FBCYTZWBEICWQJ-SJLPKXTDSA-N 1 2 369.517 2.738 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](c2ccn(C)n2)C1 ZINC001520304963 1059590164 /nfs/dbraw/zinc/59/01/64/1059590164.db2.gz FBCYTZWBEICWQJ-SJLPKXTDSA-N 1 2 369.517 2.738 20 30 FFEDLO C=C(C)Cn1c(-c2ncc[nH]2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001515373023 1059629236 /nfs/dbraw/zinc/62/92/36/1059629236.db2.gz WAIXXWHYEDSWGP-UHFFFAOYSA-N 1 2 364.457 2.720 20 30 FFEDLO C#CCN(CC#C)c1nnc(-c2ccccn2)n1CCCc1cccc(C)[nH+]1 ZINC001507646777 1059669828 /nfs/dbraw/zinc/66/98/28/1059669828.db2.gz SUJBMJQAAAPITP-UHFFFAOYSA-N 1 2 370.460 2.749 20 30 FFEDLO N#Cc1ccc(C(=O)OCC#Cc2csc(C[NH+]3CCOCC3)c2)s1 ZINC001520424678 1059675302 /nfs/dbraw/zinc/67/53/02/1059675302.db2.gz BRWQTDQERPOHES-UHFFFAOYSA-N 1 2 372.471 2.722 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2CCc2ccsc2)CC1 ZINC001507730222 1059702769 /nfs/dbraw/zinc/70/27/69/1059702769.db2.gz ONBLKXJQJXAKCV-UHFFFAOYSA-N 1 2 357.527 2.536 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(F)c(F)c2)CC1 ZINC001507722270 1059702810 /nfs/dbraw/zinc/70/28/10/1059702810.db2.gz SIIKVLUFKNUCCP-HNNXBMFYSA-N 1 2 373.451 2.873 20 30 FFEDLO C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001508014245 1059790567 /nfs/dbraw/zinc/79/05/67/1059790567.db2.gz SEPKGZNOAZPTTJ-UHFFFAOYSA-N 1 2 363.469 2.961 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCSC(C)(C)C1 ZINC001520844430 1060135637 /nfs/dbraw/zinc/13/56/37/1060135637.db2.gz ACTAVVFKTXXVMU-UHFFFAOYSA-N 1 2 362.547 2.723 20 30 FFEDLO Cc1cc(NCCNC(=O)CCc2ccc(C#N)cc2)nc(C(C)C)[nH+]1 ZINC000600368350 1060317191 /nfs/dbraw/zinc/31/71/91/1060317191.db2.gz WFHFTEUGUPBBEF-UHFFFAOYSA-N 1 2 351.454 2.941 20 30 FFEDLO Cn1c([C@@H]2CCC[N@@H+]2Cc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001355564405 1060365407 /nfs/dbraw/zinc/36/54/07/1060365407.db2.gz DLLYRLBEGFNZAX-QFBILLFUSA-N 1 2 354.433 2.594 20 30 FFEDLO Cn1c([C@@H]2CCC[N@H+]2Cc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001355564405 1060365427 /nfs/dbraw/zinc/36/54/27/1060365427.db2.gz DLLYRLBEGFNZAX-QFBILLFUSA-N 1 2 354.433 2.594 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1C ZINC001355734074 1060546040 /nfs/dbraw/zinc/54/60/40/1060546040.db2.gz JZFFSMDFPULUHY-NVXWUHKLSA-N 1 2 373.526 2.995 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)n1C ZINC001355734074 1060546058 /nfs/dbraw/zinc/54/60/58/1060546058.db2.gz JZFFSMDFPULUHY-NVXWUHKLSA-N 1 2 373.526 2.995 20 30 FFEDLO C[N@@H+]1CCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1 ZINC001522060186 1061534994 /nfs/dbraw/zinc/53/49/94/1061534994.db2.gz OAJVPOMTERPUNX-LPHOPBHVSA-N 1 2 354.433 2.535 20 30 FFEDLO C[N@H+]1CCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1 ZINC001522060186 1061535015 /nfs/dbraw/zinc/53/50/15/1061535015.db2.gz OAJVPOMTERPUNX-LPHOPBHVSA-N 1 2 354.433 2.535 20 30 FFEDLO Cn1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)c(C2CCOCC2)n1 ZINC001462420130 1061614921 /nfs/dbraw/zinc/61/49/21/1061614921.db2.gz CHWSVWXVWBAVLD-UHFFFAOYSA-N 1 2 371.510 2.569 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCn1cc[nH+]c1 ZINC001522199977 1061712882 /nfs/dbraw/zinc/71/28/82/1061712882.db2.gz LWXGEAJBLIWGTH-BDXSIMOUSA-N 1 2 358.486 2.514 20 30 FFEDLO Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC001463110948 1061943531 /nfs/dbraw/zinc/94/35/31/1061943531.db2.gz SAOYNCBQQIYOSO-UHFFFAOYSA-N 1 2 356.447 2.931 20 30 FFEDLO Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC001463110948 1061943554 /nfs/dbraw/zinc/94/35/54/1061943554.db2.gz SAOYNCBQQIYOSO-UHFFFAOYSA-N 1 2 356.447 2.931 20 30 FFEDLO Cc1nnc(N(C)[C@@H](C)CC#N)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001492775873 1062199201 /nfs/dbraw/zinc/19/92/01/1062199201.db2.gz LAMBNPJQHAQPHT-BLLLJJGKSA-N 1 2 362.428 2.906 20 30 FFEDLO Cn1c[nH+]cc1C1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC001522586657 1062218470 /nfs/dbraw/zinc/21/84/70/1062218470.db2.gz RFLNZFPIBYAHAT-UHFFFAOYSA-N 1 2 352.413 2.869 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cnnn2C)CC[C@@H]1c1ccccc1 ZINC001479624817 1062635994 /nfs/dbraw/zinc/63/59/94/1062635994.db2.gz SATBDHSWBKKEGK-WOJBJXKFSA-N 1 2 367.497 2.646 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnnn2C)CC[C@@H]1c1ccccc1 ZINC001479624817 1062636006 /nfs/dbraw/zinc/63/60/06/1062636006.db2.gz SATBDHSWBKKEGK-WOJBJXKFSA-N 1 2 367.497 2.646 20 30 FFEDLO CC(C)C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC001464635435 1062730462 /nfs/dbraw/zinc/73/04/62/1062730462.db2.gz SBFZOPNGXWJWMY-HNNXBMFYSA-N 1 2 355.891 2.562 20 30 FFEDLO CC(C)C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC001464635435 1062730474 /nfs/dbraw/zinc/73/04/74/1062730474.db2.gz SBFZOPNGXWJWMY-HNNXBMFYSA-N 1 2 355.891 2.562 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](CC)Cc1cnc(Cl)s1 ZINC001493028001 1063095932 /nfs/dbraw/zinc/09/59/32/1063095932.db2.gz LYWIGGONEQHLHU-KBPBESRZSA-N 1 2 357.907 2.716 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+](CC)Cc1cnc(Cl)s1 ZINC001493028001 1063095949 /nfs/dbraw/zinc/09/59/49/1063095949.db2.gz LYWIGGONEQHLHU-KBPBESRZSA-N 1 2 357.907 2.716 20 30 FFEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCO1 ZINC001525290888 1063236983 /nfs/dbraw/zinc/23/69/83/1063236983.db2.gz BGRZIJZCIBLGAQ-IRXDYDNUSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCO1 ZINC001525290888 1063236997 /nfs/dbraw/zinc/23/69/97/1063236997.db2.gz BGRZIJZCIBLGAQ-IRXDYDNUSA-N 1 2 372.517 2.744 20 30 FFEDLO C=CCC1(O)CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC001467595823 1063794274 /nfs/dbraw/zinc/79/42/74/1063794274.db2.gz LOJOMNPVHQXZCJ-UHFFFAOYSA-N 1 2 354.454 2.544 20 30 FFEDLO C#CCCCCC(=O)N(Cc1cnn[nH]1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001574867729 1078089276 /nfs/dbraw/zinc/08/92/76/1078089276.db2.gz YOFJKWHFGFSHAL-UHFFFAOYSA-N 1 2 371.529 2.837 20 30 FFEDLO C=CC[N@@H+](CCOCc1cn[nH]n1)Cc1cc(Br)ccc1F ZINC001575100560 1078107548 /nfs/dbraw/zinc/10/75/48/1078107548.db2.gz SFVBMKNNNKHKLO-UHFFFAOYSA-N 1 2 369.238 2.911 20 30 FFEDLO C=CC[N@H+](CCOCc1cn[nH]n1)Cc1cc(Br)ccc1F ZINC001575100560 1078107550 /nfs/dbraw/zinc/10/75/50/1078107550.db2.gz SFVBMKNNNKHKLO-UHFFFAOYSA-N 1 2 369.238 2.911 20 30 FFEDLO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC001473352646 1065245558 /nfs/dbraw/zinc/24/55/58/1065245558.db2.gz MYSAJMDLDUEMBW-UHFFFAOYSA-N 1 2 369.490 2.957 20 30 FFEDLO Cc1cc(C#N)cc(C)c1C[N@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC001473352646 1065245578 /nfs/dbraw/zinc/24/55/78/1065245578.db2.gz MYSAJMDLDUEMBW-UHFFFAOYSA-N 1 2 369.490 2.957 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H](N(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCC1 ZINC001576317746 1078215521 /nfs/dbraw/zinc/21/55/21/1078215521.db2.gz YGZXRCDYHDNXTF-GVDBMIGSSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H](N(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCC1 ZINC001576317746 1078215525 /nfs/dbraw/zinc/21/55/25/1078215525.db2.gz YGZXRCDYHDNXTF-GVDBMIGSSA-N 1 2 370.497 2.709 20 30 FFEDLO C#C[C@@H](NC(=O)c1cccn1CC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC001556907305 1075788085 /nfs/dbraw/zinc/78/80/85/1075788085.db2.gz LTFYTBKXKOQMDW-GOSISDBHSA-N 1 2 371.868 2.578 20 30 FFEDLO N#Cc1ccc(C[NH2+]Cc2ncc(I)s2)s1 ZINC001560509717 1076276888 /nfs/dbraw/zinc/27/68/88/1076276888.db2.gz OSNUQLMIHRMGQI-UHFFFAOYSA-N 1 2 361.233 2.971 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC(C)(C)n1cc[nH+]c1 ZINC001561842112 1076432247 /nfs/dbraw/zinc/43/22/47/1076432247.db2.gz NBYRPPVKYSWZDI-UHFFFAOYSA-N 1 2 374.491 2.992 20 30 FFEDLO C#CCC1(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC001563414759 1076553271 /nfs/dbraw/zinc/55/32/71/1076553271.db2.gz OXLZZFRRQYOCHA-FQEVSTJZSA-N 1 2 369.509 2.913 20 30 FFEDLO C#CCC1(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC001563414759 1076553275 /nfs/dbraw/zinc/55/32/75/1076553275.db2.gz OXLZZFRRQYOCHA-FQEVSTJZSA-N 1 2 369.509 2.913 20 30 FFEDLO C=CC[C@H]1CCCN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC001564112671 1076606841 /nfs/dbraw/zinc/60/68/41/1076606841.db2.gz QYFIEPQQRNWQPG-LEWJYISDSA-N 1 2 371.525 2.928 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001566001452 1076835578 /nfs/dbraw/zinc/83/55/78/1076835578.db2.gz ADUFHRPYCUHSAR-QZTJIDSGSA-N 1 2 358.457 2.738 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001566001452 1076835585 /nfs/dbraw/zinc/83/55/85/1076835585.db2.gz ADUFHRPYCUHSAR-QZTJIDSGSA-N 1 2 358.457 2.738 20 30 FFEDLO CC#CCCCC(=O)N(C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001572685231 1077346797 /nfs/dbraw/zinc/34/67/97/1077346797.db2.gz CQXUOBYUBKYISY-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO CC#CCCCC(=O)N(C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001572685231 1077346801 /nfs/dbraw/zinc/34/68/01/1077346801.db2.gz CQXUOBYUBKYISY-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001573091999 1077532064 /nfs/dbraw/zinc/53/20/64/1077532064.db2.gz YIGWCKNRUFKJGT-RRFJBIMHSA-N 1 2 358.486 2.585 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001574009294 1077871563 /nfs/dbraw/zinc/87/15/63/1077871563.db2.gz VJJHVGWJMBVHQO-HUUCEWRRSA-N 1 2 368.481 2.990 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2cnc(Cc3ccccc3F)s2)CC1 ZINC001586497112 1079640246 /nfs/dbraw/zinc/64/02/46/1079640246.db2.gz MSZADPKYJJWGTD-UHFFFAOYSA-N 1 2 357.454 2.654 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2cnc(Cc3ccccc3F)s2)CC1 ZINC001586497112 1079640249 /nfs/dbraw/zinc/64/02/49/1079640249.db2.gz MSZADPKYJJWGTD-UHFFFAOYSA-N 1 2 357.454 2.654 20 30 FFEDLO O=C(C#Cc1cccs1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001587928570 1079892494 /nfs/dbraw/zinc/89/24/94/1079892494.db2.gz BNZUNVOUWBGQCF-UHFFFAOYSA-N 1 2 373.909 2.691 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001588391459 1080003680 /nfs/dbraw/zinc/00/36/80/1080003680.db2.gz LSBPOHDZQUOGEA-ZDUSSCGKSA-N 1 2 374.514 2.563 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001588391459 1080003686 /nfs/dbraw/zinc/00/36/86/1080003686.db2.gz LSBPOHDZQUOGEA-ZDUSSCGKSA-N 1 2 374.514 2.563 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCc2ccsc2)CC1 ZINC001588836558 1080212573 /nfs/dbraw/zinc/21/25/73/1080212573.db2.gz LHBJFIQXKLWKAE-UHFFFAOYSA-N 1 2 371.554 2.926 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000066876658 249671689 /nfs/dbraw/zinc/67/16/89/249671689.db2.gz LSQUJPPQHAIOEV-UHFFFAOYSA-N 1 2 374.510 2.719 20 30 FFEDLO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101558572 250077447 /nfs/dbraw/zinc/07/74/47/250077447.db2.gz UZGOUPZJPFXLSX-HNNXBMFYSA-N 1 2 358.461 2.657 20 30 FFEDLO COc1ccccc1C[N@H+](CCO)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000103143929 250136349 /nfs/dbraw/zinc/13/63/49/250136349.db2.gz KQMVJKOBPAIZHT-UHFFFAOYSA-N 1 2 373.840 2.653 20 30 FFEDLO COc1ccccc1C[N@@H+](CCO)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000103143929 250136354 /nfs/dbraw/zinc/13/63/54/250136354.db2.gz KQMVJKOBPAIZHT-UHFFFAOYSA-N 1 2 373.840 2.653 20 30 FFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105298240 250208487 /nfs/dbraw/zinc/20/84/87/250208487.db2.gz KGNDEPXCEZZVIB-DLBZAZTESA-N 1 2 358.486 2.587 20 30 FFEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000153020196 251091783 /nfs/dbraw/zinc/09/17/83/251091783.db2.gz MXSCTJNXZKNFSS-PXNSSMCTSA-N 1 2 364.449 2.752 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCN1CC(F)F ZINC000153480609 251142687 /nfs/dbraw/zinc/14/26/87/251142687.db2.gz SXSSYBWWLUFGPA-OAHLLOKOSA-N 1 2 361.396 2.770 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCN1CC(F)F ZINC000153480609 251142689 /nfs/dbraw/zinc/14/26/89/251142689.db2.gz SXSSYBWWLUFGPA-OAHLLOKOSA-N 1 2 361.396 2.770 20 30 FFEDLO CSc1ccccc1C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000288791733 257227029 /nfs/dbraw/zinc/22/70/29/257227029.db2.gz CKTHTZDUQRPASN-UHFFFAOYSA-N 1 2 361.492 2.581 20 30 FFEDLO CSc1ccccc1C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000288791733 257227030 /nfs/dbraw/zinc/22/70/30/257227030.db2.gz CKTHTZDUQRPASN-UHFFFAOYSA-N 1 2 361.492 2.581 20 30 FFEDLO COC(=O)c1ccc([C@@H](C)[NH+]2CCN(c3snc(C)c3C#N)CC2)o1 ZINC000289465315 257282565 /nfs/dbraw/zinc/28/25/65/257282565.db2.gz MMFORODBKVUAJH-GFCCVEGCSA-N 1 2 360.439 2.586 20 30 FFEDLO N#Cc1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)cc1F ZINC000289997266 257310610 /nfs/dbraw/zinc/31/06/10/257310610.db2.gz YWYGBJMEJGIYQL-INIZCTEOSA-N 1 2 374.441 2.954 20 30 FFEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000299539628 258003705 /nfs/dbraw/zinc/00/37/05/258003705.db2.gz OSXVBLDJKMGRFJ-INIZCTEOSA-N 1 2 353.426 2.685 20 30 FFEDLO Cc1cn2cc(NC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)ccc2[nH+]1 ZINC000299608324 258009690 /nfs/dbraw/zinc/00/96/90/258009690.db2.gz HACQPZNAPBDHKM-UHFFFAOYSA-N 1 2 373.420 2.745 20 30 FFEDLO Cc1ccc(NCc2ccccc2OCC[NH+]2CCOCC2)nc1C#N ZINC000302605165 258106681 /nfs/dbraw/zinc/10/66/81/258106681.db2.gz CZODAUBFSONNQQ-UHFFFAOYSA-N 1 2 352.438 2.585 20 30 FFEDLO N#Cc1nc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)ccc1Cl ZINC000301657086 258061316 /nfs/dbraw/zinc/06/13/16/258061316.db2.gz SEKOELYNNUWIJG-ZWKOTPCHSA-N 1 2 354.841 2.696 20 30 FFEDLO N#Cc1nc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)ccc1Cl ZINC000301657086 258061319 /nfs/dbraw/zinc/06/13/19/258061319.db2.gz SEKOELYNNUWIJG-ZWKOTPCHSA-N 1 2 354.841 2.696 20 30 FFEDLO Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000328715306 258118587 /nfs/dbraw/zinc/11/85/87/258118587.db2.gz CSYAQUYAKKLGFZ-GASCZTMLSA-N 1 2 357.841 2.698 20 30 FFEDLO Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000328715306 258118588 /nfs/dbraw/zinc/11/85/88/258118588.db2.gz CSYAQUYAKKLGFZ-GASCZTMLSA-N 1 2 357.841 2.698 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(C)(O)CC2)c1C#N ZINC000331569497 258191384 /nfs/dbraw/zinc/19/13/84/258191384.db2.gz HKAJENUDHJIFEJ-UHFFFAOYSA-N 1 2 358.486 2.877 20 30 FFEDLO C[C@@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCC1=O ZINC000328957111 258125385 /nfs/dbraw/zinc/12/53/85/258125385.db2.gz ZLNUSFMQANTJLD-APWZRJJASA-N 1 2 353.466 2.598 20 30 FFEDLO C[C@@H]1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCC1=O ZINC000328957111 258125386 /nfs/dbraw/zinc/12/53/86/258125386.db2.gz ZLNUSFMQANTJLD-APWZRJJASA-N 1 2 353.466 2.598 20 30 FFEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCC1=O ZINC000333122241 258251325 /nfs/dbraw/zinc/25/13/25/258251325.db2.gz IIVVTARTAPNRFE-QWHCGFSZSA-N 1 2 359.495 2.984 20 30 FFEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCC1=O ZINC000333122241 258251326 /nfs/dbraw/zinc/25/13/26/258251326.db2.gz IIVVTARTAPNRFE-QWHCGFSZSA-N 1 2 359.495 2.984 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000071951523 132376483 /nfs/dbraw/zinc/37/64/83/132376483.db2.gz JHMUNIPRNWZLAQ-UHFFFAOYSA-N 1 2 351.435 2.992 20 30 FFEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000052723677 506238282 /nfs/dbraw/zinc/23/82/82/506238282.db2.gz QQWZVTQZMHHRNL-AWEZNQCLSA-N 1 2 355.404 2.514 20 30 FFEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(Br)s1 ZINC000053149168 506320536 /nfs/dbraw/zinc/32/05/36/506320536.db2.gz AYXCUADTPMVITL-UHFFFAOYSA-N 1 2 369.288 2.598 20 30 FFEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(Br)s1 ZINC000053149168 506320544 /nfs/dbraw/zinc/32/05/44/506320544.db2.gz AYXCUADTPMVITL-UHFFFAOYSA-N 1 2 369.288 2.598 20 30 FFEDLO C=CCc1ccc(OCC(=O)N2CC[NH+](Cc3ccco3)CC2)c(OC)c1 ZINC000053338224 506358388 /nfs/dbraw/zinc/35/83/88/506358388.db2.gz WRZVRANFWZGMRD-UHFFFAOYSA-N 1 2 370.449 2.740 20 30 FFEDLO COc1ccc([C@@H](NC(=O)c2ccc(F)c(C#N)c2)c2[nH+]ccn2C)cc1 ZINC000375186560 512202416 /nfs/dbraw/zinc/20/24/16/512202416.db2.gz CSUWHKKIXDDMPA-GOSISDBHSA-N 1 2 364.380 2.959 20 30 FFEDLO CC(=O)Nc1cccc2c1CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C2 ZINC000054389985 506550400 /nfs/dbraw/zinc/55/04/00/506550400.db2.gz HHCHZKWOAGFFKO-UHFFFAOYSA-N 1 2 368.481 2.688 20 30 FFEDLO CC(=O)Nc1cccc2c1CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C2 ZINC000054389985 506550404 /nfs/dbraw/zinc/55/04/04/506550404.db2.gz HHCHZKWOAGFFKO-UHFFFAOYSA-N 1 2 368.481 2.688 20 30 FFEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)c(OC)c1 ZINC000007739991 506587435 /nfs/dbraw/zinc/58/74/35/506587435.db2.gz FDCJSIVQTAJILE-XLIONFOSSA-N 1 2 359.470 2.895 20 30 FFEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)c(OC)c1 ZINC000007739991 506587440 /nfs/dbraw/zinc/58/74/40/506587440.db2.gz FDCJSIVQTAJILE-XLIONFOSSA-N 1 2 359.470 2.895 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCN(c2nccs2)CC1 ZINC000054635990 506593410 /nfs/dbraw/zinc/59/34/10/506593410.db2.gz UCHUFSUOGHKQRU-MRXNPFEDSA-N 1 2 369.494 2.600 20 30 FFEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Br)s1 ZINC000008165506 506628468 /nfs/dbraw/zinc/62/84/68/506628468.db2.gz OUJTUBALFOCYPW-AWEZNQCLSA-N 1 2 356.289 2.751 20 30 FFEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Br)s1 ZINC000008165506 506628473 /nfs/dbraw/zinc/62/84/73/506628473.db2.gz OUJTUBALFOCYPW-AWEZNQCLSA-N 1 2 356.289 2.751 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000067614536 506952011 /nfs/dbraw/zinc/95/20/11/506952011.db2.gz PZTYOQCJHIKPLG-LEWJYISDSA-N 1 2 360.461 2.942 20 30 FFEDLO COc1ccc(C(=O)C2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 ZINC000014326214 506985610 /nfs/dbraw/zinc/98/56/10/506985610.db2.gz YEYGMQRAODUDTR-OAQYLSRUSA-N 1 2 371.481 2.644 20 30 FFEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1N1CCOCC1 ZINC000015039264 507014031 /nfs/dbraw/zinc/01/40/31/507014031.db2.gz LUCVRNVIYCKWTI-UHFFFAOYSA-N 1 2 370.478 2.527 20 30 FFEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1N1CCOCC1 ZINC000015039264 507014040 /nfs/dbraw/zinc/01/40/40/507014040.db2.gz LUCVRNVIYCKWTI-UHFFFAOYSA-N 1 2 370.478 2.527 20 30 FFEDLO C=CCOc1cccc(NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000056516917 507035411 /nfs/dbraw/zinc/03/54/11/507035411.db2.gz BGJVBCMQLRYMMI-UHFFFAOYSA-N 1 2 368.437 2.805 20 30 FFEDLO C[C@@H](C1CC1)N(C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)C1CC1 ZINC000367056752 512317128 /nfs/dbraw/zinc/31/71/28/512317128.db2.gz BNHNWXHRMJXJBA-INIZCTEOSA-N 1 2 352.482 2.728 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+]([C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000367056620 512317428 /nfs/dbraw/zinc/31/74/28/512317428.db2.gz AEVPUQSTFQOWOT-GOSISDBHSA-N 1 2 364.424 2.883 20 30 FFEDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c([N+](=O)[O-])c1 ZINC000046519093 507147439 /nfs/dbraw/zinc/14/74/39/507147439.db2.gz VLUXEEGWVHSYHT-UHFFFAOYSA-N 1 2 368.393 2.936 20 30 FFEDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c([N+](=O)[O-])c1 ZINC000046519093 507147449 /nfs/dbraw/zinc/14/74/49/507147449.db2.gz VLUXEEGWVHSYHT-UHFFFAOYSA-N 1 2 368.393 2.936 20 30 FFEDLO Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367071643 512323497 /nfs/dbraw/zinc/32/34/97/512323497.db2.gz FTDSVKVAXOJHCX-TZIWHRDSSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367071643 512323499 /nfs/dbraw/zinc/32/34/99/512323499.db2.gz FTDSVKVAXOJHCX-TZIWHRDSSA-N 1 2 352.434 2.680 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375440310 512329128 /nfs/dbraw/zinc/32/91/28/512329128.db2.gz WALDSMSOZLDKEY-HZPDHXFCSA-N 1 2 352.394 2.522 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375440310 512329138 /nfs/dbraw/zinc/32/91/38/512329138.db2.gz WALDSMSOZLDKEY-HZPDHXFCSA-N 1 2 352.394 2.522 20 30 FFEDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023258238 507343614 /nfs/dbraw/zinc/34/36/14/507343614.db2.gz PZODMJAWNYTGPL-GHTZIAJQSA-N 1 2 368.525 2.855 20 30 FFEDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258238 507343620 /nfs/dbraw/zinc/34/36/20/507343620.db2.gz PZODMJAWNYTGPL-GHTZIAJQSA-N 1 2 368.525 2.855 20 30 FFEDLO C[C@H](Oc1cccc(F)c1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000024478631 507415494 /nfs/dbraw/zinc/41/54/94/507415494.db2.gz NJRTZMLQFZSLCR-INIZCTEOSA-N 1 2 367.424 2.809 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCOc3ccc(F)cc3)CC2)cc1 ZINC000024668700 507427711 /nfs/dbraw/zinc/42/77/11/507427711.db2.gz UWKKLBVTUXTREU-UHFFFAOYSA-N 1 2 367.424 2.811 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000058576145 507439740 /nfs/dbraw/zinc/43/97/40/507439740.db2.gz ZUIFMXOBCIDHCK-PZJWPPBQSA-N 1 2 352.434 2.566 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000058576145 507439747 /nfs/dbraw/zinc/43/97/47/507439747.db2.gz ZUIFMXOBCIDHCK-PZJWPPBQSA-N 1 2 352.434 2.566 20 30 FFEDLO N#CCOc1cccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000048517035 507532127 /nfs/dbraw/zinc/53/21/27/507532127.db2.gz PAHDWROVTWCMAN-UHFFFAOYSA-N 1 2 351.410 2.906 20 30 FFEDLO CSc1ccc(Cl)c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000060633798 507568811 /nfs/dbraw/zinc/56/88/11/507568811.db2.gz JJNHSNLUXHINKR-UHFFFAOYSA-N 1 2 367.902 2.750 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3cccs3)CC2)cc1 ZINC000026523741 507593738 /nfs/dbraw/zinc/59/37/38/507593738.db2.gz XIZYWMDPKCISCS-UHFFFAOYSA-N 1 2 354.479 2.690 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)N2CC[NH+](Cc3ccsc3)CC2)c(C#N)c1C ZINC000027516007 507661840 /nfs/dbraw/zinc/66/18/40/507661840.db2.gz GHOAYLHOPRBEMO-AWEZNQCLSA-N 1 2 372.494 2.974 20 30 FFEDLO C=CC[N@@H+](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1 ZINC000027776646 507683260 /nfs/dbraw/zinc/68/32/60/507683260.db2.gz NNYHDIUYIPGNQF-UHFFFAOYSA-N 1 2 373.403 2.708 20 30 FFEDLO C=CC[N@H+](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1 ZINC000027776646 507683268 /nfs/dbraw/zinc/68/32/68/507683268.db2.gz NNYHDIUYIPGNQF-UHFFFAOYSA-N 1 2 373.403 2.708 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(C#N)cc1 ZINC000063754441 507767807 /nfs/dbraw/zinc/76/78/07/507767807.db2.gz ZOCYPLGNZLLVDD-UHFFFAOYSA-N 1 2 353.422 2.654 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(C#N)cc1 ZINC000063754441 507767814 /nfs/dbraw/zinc/76/78/14/507767814.db2.gz ZOCYPLGNZLLVDD-UHFFFAOYSA-N 1 2 353.422 2.654 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(C#N)cc1 ZINC000063754092 507768056 /nfs/dbraw/zinc/76/80/56/507768056.db2.gz KDPXXXOKNVBBFF-UHFFFAOYSA-N 1 2 354.435 2.579 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(C#N)cc1 ZINC000063754092 507768061 /nfs/dbraw/zinc/76/80/61/507768061.db2.gz KDPXXXOKNVBBFF-UHFFFAOYSA-N 1 2 354.435 2.579 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1cc(C)ccc1OC)Cc1ccc(C#N)cc1 ZINC000063754442 507768572 /nfs/dbraw/zinc/76/85/72/507768572.db2.gz KOEQZCWEKMTFBY-UHFFFAOYSA-N 1 2 367.449 2.962 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1cc(C)ccc1OC)Cc1ccc(C#N)cc1 ZINC000063754442 507768574 /nfs/dbraw/zinc/76/85/74/507768574.db2.gz KOEQZCWEKMTFBY-UHFFFAOYSA-N 1 2 367.449 2.962 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)C[C@H](C)C#N ZINC000064249266 507787398 /nfs/dbraw/zinc/78/73/98/507787398.db2.gz SNXGSDKPRSWYOV-QAPCUYQASA-N 1 2 359.470 2.849 20 30 FFEDLO CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)C[C@H](C)C#N ZINC000064249266 507787402 /nfs/dbraw/zinc/78/74/02/507787402.db2.gz SNXGSDKPRSWYOV-QAPCUYQASA-N 1 2 359.470 2.849 20 30 FFEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000072690338 507842738 /nfs/dbraw/zinc/84/27/38/507842738.db2.gz VWODRMXQZYISFV-UHFFFAOYSA-N 1 2 360.483 2.689 20 30 FFEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000072690338 507842741 /nfs/dbraw/zinc/84/27/41/507842741.db2.gz VWODRMXQZYISFV-UHFFFAOYSA-N 1 2 360.483 2.689 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000072895476 507870040 /nfs/dbraw/zinc/87/00/40/507870040.db2.gz GRNSFQWEBASZCA-OXJNMPFZSA-N 1 2 353.470 2.747 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000072895476 507870041 /nfs/dbraw/zinc/87/00/41/507870041.db2.gz GRNSFQWEBASZCA-OXJNMPFZSA-N 1 2 353.470 2.747 20 30 FFEDLO CCCOc1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000078478273 507874460 /nfs/dbraw/zinc/87/44/60/507874460.db2.gz AYZHLJZHHKRNRM-UHFFFAOYSA-N 1 2 360.458 2.555 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccccc1OCC1CC1 ZINC000078615411 507889015 /nfs/dbraw/zinc/88/90/15/507889015.db2.gz LGHPZWCEFJBRQN-UHFFFAOYSA-N 1 2 372.469 2.555 20 30 FFEDLO N#CCN1CCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC1 ZINC000073100590 507893514 /nfs/dbraw/zinc/89/35/14/507893514.db2.gz MFQKOOJUABBCLA-UHFFFAOYSA-N 1 2 356.813 2.809 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000073604876 507937019 /nfs/dbraw/zinc/93/70/19/507937019.db2.gz VMICYRFORJSGMP-INIZCTEOSA-N 1 2 360.458 2.530 20 30 FFEDLO COC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000091864077 508020359 /nfs/dbraw/zinc/02/03/59/508020359.db2.gz XXCGDKOREKNLGD-SFHVURJKSA-N 1 2 373.840 2.837 20 30 FFEDLO N#Cc1csc(C(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)c1 ZINC000373516899 512373487 /nfs/dbraw/zinc/37/34/87/512373487.db2.gz UELCBNMJKAARPN-UHFFFAOYSA-N 1 2 366.368 2.996 20 30 FFEDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)o1 ZINC000091918337 508024632 /nfs/dbraw/zinc/02/46/32/508024632.db2.gz MSMNRALKMLDVLT-UHFFFAOYSA-N 1 2 357.385 2.789 20 30 FFEDLO C=CC[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000092361129 508064056 /nfs/dbraw/zinc/06/40/56/508064056.db2.gz GWGXWESLGYDMJJ-CYBMUJFWSA-N 1 2 367.421 2.530 20 30 FFEDLO C=CC[N@H+](Cc1c[nH]nc1-c1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000092361129 508064059 /nfs/dbraw/zinc/06/40/59/508064059.db2.gz GWGXWESLGYDMJJ-CYBMUJFWSA-N 1 2 367.421 2.530 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)Cc1ccccc1F ZINC000092617862 508088337 /nfs/dbraw/zinc/08/83/37/508088337.db2.gz CJGSCUDPFXFUDA-HXUWFJFHSA-N 1 2 372.488 2.506 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)Cc1ccccc1F ZINC000092617862 508088341 /nfs/dbraw/zinc/08/83/41/508088341.db2.gz CJGSCUDPFXFUDA-HXUWFJFHSA-N 1 2 372.488 2.506 20 30 FFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000075299046 508095579 /nfs/dbraw/zinc/09/55/79/508095579.db2.gz RQHIDAWDVJTQRX-WMZOPIPTSA-N 1 2 358.405 2.574 20 30 FFEDLO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+]1CCN(CC#N)CC1 ZINC000092936337 508108906 /nfs/dbraw/zinc/10/89/06/508108906.db2.gz YJBVFSTUKPEHOA-UHFFFAOYSA-N 1 2 357.889 2.843 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000081513280 508183514 /nfs/dbraw/zinc/18/35/14/508183514.db2.gz LPYUEZIKLYYUCM-MRXNPFEDSA-N 1 2 358.438 2.961 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000081513280 508183516 /nfs/dbraw/zinc/18/35/16/508183516.db2.gz LPYUEZIKLYYUCM-MRXNPFEDSA-N 1 2 358.438 2.961 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc2ccccc21 ZINC000076461344 508209266 /nfs/dbraw/zinc/20/92/66/508209266.db2.gz PJZRAXRZXKMLOW-UHFFFAOYSA-N 1 2 352.438 2.920 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000098150378 508237645 /nfs/dbraw/zinc/23/76/45/508237645.db2.gz ACDMUPGKEUBSBT-LJQANCHMSA-N 1 2 353.426 2.580 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000083169844 508238402 /nfs/dbraw/zinc/23/84/02/508238402.db2.gz XZXCBXXKDRHGOB-IPELMVKDSA-N 1 2 371.481 2.789 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000083169844 508238405 /nfs/dbraw/zinc/23/84/05/508238405.db2.gz XZXCBXXKDRHGOB-IPELMVKDSA-N 1 2 371.481 2.789 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083446413 508246328 /nfs/dbraw/zinc/24/63/28/508246328.db2.gz VCBLPHKGUFTYMI-UHFFFAOYSA-N 1 2 357.483 2.901 20 30 FFEDLO N#Cc1ccc(CSCC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000077704095 508354354 /nfs/dbraw/zinc/35/43/54/508354354.db2.gz WRPOZISHUZRFOA-UHFFFAOYSA-N 1 2 354.479 2.683 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105016365 508356715 /nfs/dbraw/zinc/35/67/15/508356715.db2.gz XJYNNVSTOLWXJJ-CABCVRRESA-N 1 2 360.458 2.576 20 30 FFEDLO COC(=O)c1oc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1C ZINC000088524209 508374401 /nfs/dbraw/zinc/37/44/01/508374401.db2.gz HFPOJDPNTYCMNX-SFHVURJKSA-N 1 2 353.422 2.757 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000115530928 508406421 /nfs/dbraw/zinc/40/64/21/508406421.db2.gz BPOMTHFVERMEGJ-SFHVURJKSA-N 1 2 354.841 2.560 20 30 FFEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)C(N)=O)cc1 ZINC000115597848 508416375 /nfs/dbraw/zinc/41/63/75/508416375.db2.gz OQYZAXOSPLTONX-INIZCTEOSA-N 1 2 363.339 2.816 20 30 FFEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)C(N)=O)cc1 ZINC000115597241 508416648 /nfs/dbraw/zinc/41/66/48/508416648.db2.gz BHHYEKWQSQRGHP-FQEVSTJZSA-N 1 2 363.465 2.650 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121803051 508422189 /nfs/dbraw/zinc/42/21/89/508422189.db2.gz BCNZYWOZZFUTIW-FXAWDEMLSA-N 1 2 355.482 2.965 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121803051 508422192 /nfs/dbraw/zinc/42/21/92/508422192.db2.gz BCNZYWOZZFUTIW-FXAWDEMLSA-N 1 2 355.482 2.965 20 30 FFEDLO CCN(CC)c1ccc(CNS(=O)(=O)c2cccc(C)c2C#N)c[nH+]1 ZINC000156530270 508434124 /nfs/dbraw/zinc/43/41/24/508434124.db2.gz PIXUBONZASKEJH-UHFFFAOYSA-N 1 2 358.467 2.586 20 30 FFEDLO C=CCc1cc(CN2CC[NH+](Cc3ccccn3)CC2)cc(OC)c1O ZINC000121946643 508454624 /nfs/dbraw/zinc/45/46/24/508454624.db2.gz OVEUPMOQAUXPIL-UHFFFAOYSA-N 1 2 353.466 2.842 20 30 FFEDLO C=CCc1cc(C[NH+]2CCN(Cc3ccccn3)CC2)cc(OC)c1O ZINC000121946643 508454627 /nfs/dbraw/zinc/45/46/27/508454627.db2.gz OVEUPMOQAUXPIL-UHFFFAOYSA-N 1 2 353.466 2.842 20 30 FFEDLO N#Cc1cc(F)ccc1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000133931734 508470176 /nfs/dbraw/zinc/47/01/76/508470176.db2.gz VHBNRXIRSDMHDR-IBGZPJMESA-N 1 2 368.412 2.892 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000156841920 508485572 /nfs/dbraw/zinc/48/55/72/508485572.db2.gz CFERDGCRYDSJLH-HNNXBMFYSA-N 1 2 351.841 2.564 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000156841920 508485574 /nfs/dbraw/zinc/48/55/74/508485574.db2.gz CFERDGCRYDSJLH-HNNXBMFYSA-N 1 2 351.841 2.564 20 30 FFEDLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000127687942 508486500 /nfs/dbraw/zinc/48/65/00/508486500.db2.gz AYGIVXKIOQOSQP-OAHLLOKOSA-N 1 2 360.421 2.770 20 30 FFEDLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000127687942 508486503 /nfs/dbraw/zinc/48/65/03/508486503.db2.gz AYGIVXKIOQOSQP-OAHLLOKOSA-N 1 2 360.421 2.770 20 30 FFEDLO CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000122307714 508515818 /nfs/dbraw/zinc/51/58/18/508515818.db2.gz YJQPZMBLTMKSEB-MRXNPFEDSA-N 1 2 372.450 2.550 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000369418196 512402925 /nfs/dbraw/zinc/40/29/25/512402925.db2.gz NJDWGYJLBDSTGZ-UYAOXDASSA-N 1 2 354.381 2.505 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000369418196 512402929 /nfs/dbraw/zinc/40/29/29/512402929.db2.gz NJDWGYJLBDSTGZ-UYAOXDASSA-N 1 2 354.381 2.505 20 30 FFEDLO C=CC[C@@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000116973666 508574251 /nfs/dbraw/zinc/57/42/51/508574251.db2.gz FZQMMKTZKSGOLF-DYVFJYSZSA-N 1 2 358.442 2.791 20 30 FFEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135284097 508593219 /nfs/dbraw/zinc/59/32/19/508593219.db2.gz LFTCDPBUJMAWCG-SFHVURJKSA-N 1 2 368.525 2.616 20 30 FFEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CCN1CC(F)F ZINC000153636008 508613869 /nfs/dbraw/zinc/61/38/69/508613869.db2.gz WXEQKEGNISERMC-XJKSGUPXSA-N 1 2 350.413 2.547 20 30 FFEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CCN1CC(F)F ZINC000153636008 508613872 /nfs/dbraw/zinc/61/38/72/508613872.db2.gz WXEQKEGNISERMC-XJKSGUPXSA-N 1 2 350.413 2.547 20 30 FFEDLO C=CCNc1ncc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)s1 ZINC000136209191 508679430 /nfs/dbraw/zinc/67/94/30/508679430.db2.gz KKBROBVUASBTNI-UHFFFAOYSA-N 1 2 371.510 2.741 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC(C)(C)O1 ZINC000140656358 508807450 /nfs/dbraw/zinc/80/74/50/508807450.db2.gz YABWZIIXBLGGPX-CQSZACIVSA-N 1 2 368.399 2.672 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC(C)(C)O1 ZINC000140656358 508807453 /nfs/dbraw/zinc/80/74/53/508807453.db2.gz YABWZIIXBLGGPX-CQSZACIVSA-N 1 2 368.399 2.672 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](c2ccc(Cl)cc2)c2cnccn2)C1=O ZINC000375608795 512419199 /nfs/dbraw/zinc/41/91/99/512419199.db2.gz UBMCLKGWWUXSHT-ZWKOTPCHSA-N 1 2 356.857 2.938 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](c2ccc(Cl)cc2)c2cnccn2)C1=O ZINC000375608795 512419204 /nfs/dbraw/zinc/41/92/04/512419204.db2.gz UBMCLKGWWUXSHT-ZWKOTPCHSA-N 1 2 356.857 2.938 20 30 FFEDLO CCCn1cc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 ZINC000119644336 508835285 /nfs/dbraw/zinc/83/52/85/508835285.db2.gz DJSRDDKNEZTUBD-UHFFFAOYSA-N 1 2 366.425 2.735 20 30 FFEDLO N#Cc1ccc(SCC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000130804411 508849090 /nfs/dbraw/zinc/84/90/90/508849090.db2.gz KGHZCWRIXFMYOE-UHFFFAOYSA-N 1 2 367.474 2.700 20 30 FFEDLO COCc1ccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000131288128 508910044 /nfs/dbraw/zinc/91/00/44/508910044.db2.gz RGZBRAXIWNMXLS-GOSISDBHSA-N 1 2 374.462 2.908 20 30 FFEDLO COCc1ccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000131288128 508910049 /nfs/dbraw/zinc/91/00/49/508910049.db2.gz RGZBRAXIWNMXLS-GOSISDBHSA-N 1 2 374.462 2.908 20 30 FFEDLO CCCS(=O)(=O)Nc1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000151108335 508958125 /nfs/dbraw/zinc/95/81/25/508958125.db2.gz NCBTZGIYQMTQCA-UHFFFAOYSA-N 1 2 369.450 2.970 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000125354687 508970199 /nfs/dbraw/zinc/97/01/99/508970199.db2.gz JEELMQXBAQWXHX-IBGZPJMESA-N 1 2 372.432 2.915 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000125354687 508970204 /nfs/dbraw/zinc/97/02/04/508970204.db2.gz JEELMQXBAQWXHX-IBGZPJMESA-N 1 2 372.432 2.915 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCS[C@H](c3ccccc3)C2)nc1 ZINC000367302004 512432165 /nfs/dbraw/zinc/43/21/65/512432165.db2.gz SXLBUYKHKXDSQS-KRWDZBQOSA-N 1 2 373.503 2.517 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCS[C@H](c3ccccc3)C2)nc1 ZINC000367302004 512432168 /nfs/dbraw/zinc/43/21/68/512432168.db2.gz SXLBUYKHKXDSQS-KRWDZBQOSA-N 1 2 373.503 2.517 20 30 FFEDLO N#CCCN(CC1CC1)C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000132719329 509067183 /nfs/dbraw/zinc/06/71/83/509067183.db2.gz JHXXQZYQGKGYQC-UHFFFAOYSA-N 1 2 364.405 2.965 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCSCC2)cc1 ZINC000151688382 509067168 /nfs/dbraw/zinc/06/71/68/509067168.db2.gz HHGZYHHSVPBWQP-INIZCTEOSA-N 1 2 373.522 2.877 20 30 FFEDLO CC(C)(C(=O)NCc1cccnc1-n1cc[nH+]c1)c1cc(F)cc(C#N)c1 ZINC000375646304 512436069 /nfs/dbraw/zinc/43/60/69/512436069.db2.gz CMYREMVOTNAOQL-UHFFFAOYSA-N 1 2 363.396 2.872 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000155929932 509094774 /nfs/dbraw/zinc/09/47/74/509094774.db2.gz VTDVPZVZNUGQGZ-HNNXBMFYSA-N 1 2 350.894 2.670 20 30 FFEDLO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c(C)[nH+]1 ZINC000156052866 509117986 /nfs/dbraw/zinc/11/79/86/509117986.db2.gz GHSCMYQBVVCLPA-MJGOQNOKSA-N 1 2 362.433 2.935 20 30 FFEDLO N#CCCN(C(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)c1ccccc1 ZINC000161469037 509118973 /nfs/dbraw/zinc/11/89/73/509118973.db2.gz KIRVUKVKZDHIKP-KRWDZBQOSA-N 1 2 369.387 2.568 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185518856 509217854 /nfs/dbraw/zinc/21/78/54/509217854.db2.gz NBZICUXERCSZHR-LJQANCHMSA-N 1 2 350.418 2.756 20 30 FFEDLO O=C(Cc1c[nH]c2ccccc12)N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000191949701 509259114 /nfs/dbraw/zinc/25/91/14/509259114.db2.gz UNRQWLAERXSZHD-UHFFFAOYSA-N 1 2 357.457 2.906 20 30 FFEDLO CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000188811027 509275147 /nfs/dbraw/zinc/27/51/47/509275147.db2.gz PJUHJULPLDFQSE-HNNXBMFYSA-N 1 2 365.437 2.633 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000266964989 509279539 /nfs/dbraw/zinc/27/95/39/509279539.db2.gz LWHWOPSSIYDHRB-UHFFFAOYSA-N 1 2 353.426 2.737 20 30 FFEDLO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(C)C)cc1OCCCC#N ZINC000188914063 509322191 /nfs/dbraw/zinc/32/21/91/509322191.db2.gz DHJRJHONHQTABM-KRWDZBQOSA-N 1 2 359.470 2.724 20 30 FFEDLO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(C)C)cc1OCCCC#N ZINC000188914063 509322193 /nfs/dbraw/zinc/32/21/93/509322193.db2.gz DHJRJHONHQTABM-KRWDZBQOSA-N 1 2 359.470 2.724 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)n1 ZINC000264206557 509381292 /nfs/dbraw/zinc/38/12/92/509381292.db2.gz KUEQETRVDDMQDE-CQSZACIVSA-N 1 2 371.466 2.812 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)n1 ZINC000264206557 509381297 /nfs/dbraw/zinc/38/12/97/509381297.db2.gz KUEQETRVDDMQDE-CQSZACIVSA-N 1 2 371.466 2.812 20 30 FFEDLO N#C[C@@H](C(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)c1nc2ccccc2c(=O)[nH]1 ZINC000264257661 509416802 /nfs/dbraw/zinc/41/68/02/509416802.db2.gz ZHZLVBYUYLGKKR-WMLDXEAASA-N 1 2 361.405 2.677 20 30 FFEDLO N#C[C@@H](C(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1)c1nc2ccccc2c(=O)[nH]1 ZINC000264257661 509416805 /nfs/dbraw/zinc/41/68/05/509416805.db2.gz ZHZLVBYUYLGKKR-WMLDXEAASA-N 1 2 361.405 2.677 20 30 FFEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000163794003 509423613 /nfs/dbraw/zinc/42/36/13/509423613.db2.gz SODXBCSASONGIX-MGPUTAFESA-N 1 2 365.481 2.963 20 30 FFEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000163794003 509423616 /nfs/dbraw/zinc/42/36/16/509423616.db2.gz SODXBCSASONGIX-MGPUTAFESA-N 1 2 365.481 2.963 20 30 FFEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000164221783 509478084 /nfs/dbraw/zinc/47/80/84/509478084.db2.gz RVNVSRZSVZOVLI-LJQANCHMSA-N 1 2 351.406 2.666 20 30 FFEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000164221783 509478089 /nfs/dbraw/zinc/47/80/89/509478089.db2.gz RVNVSRZSVZOVLI-LJQANCHMSA-N 1 2 351.406 2.666 20 30 FFEDLO NC(=[NH+]OCCOCC(F)F)c1ccc(OCc2cccnc2)cc1 ZINC000189260300 509487388 /nfs/dbraw/zinc/48/73/88/509487388.db2.gz MIZLDENFVMEVQA-UHFFFAOYSA-N 1 2 351.353 2.579 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3occc3Br)CC2)cc1 ZINC000267555170 509538692 /nfs/dbraw/zinc/53/86/92/509538692.db2.gz HUIIMOARJGXIQU-UHFFFAOYSA-N 1 2 374.238 2.872 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179736617 509597295 /nfs/dbraw/zinc/59/72/95/509597295.db2.gz UMDPLSXZYXLEIY-ICSRJNTNSA-N 1 2 355.388 2.941 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179736617 509597302 /nfs/dbraw/zinc/59/73/02/509597302.db2.gz UMDPLSXZYXLEIY-ICSRJNTNSA-N 1 2 355.388 2.941 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000186280973 509619774 /nfs/dbraw/zinc/61/97/74/509619774.db2.gz OPJRLEHXUPRSHR-GOSISDBHSA-N 1 2 354.498 2.639 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000186280973 509619780 /nfs/dbraw/zinc/61/97/80/509619780.db2.gz OPJRLEHXUPRSHR-GOSISDBHSA-N 1 2 354.498 2.639 20 30 FFEDLO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C[C@H](O)C(F)(F)F ZINC000189539799 509628428 /nfs/dbraw/zinc/62/84/28/509628428.db2.gz SHOWEOYUFNSCRV-INIZCTEOSA-N 1 2 371.403 2.795 20 30 FFEDLO CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C[C@H](O)C(F)(F)F ZINC000189539799 509628440 /nfs/dbraw/zinc/62/84/40/509628440.db2.gz SHOWEOYUFNSCRV-INIZCTEOSA-N 1 2 371.403 2.795 20 30 FFEDLO COc1cc2c(cc1OC)CN(C(=O)C[N@H+](CCC#N)CCC(C)C)CC2 ZINC000173546607 509649590 /nfs/dbraw/zinc/64/95/90/509649590.db2.gz UDMJEGNVIOMEKB-UHFFFAOYSA-N 1 2 373.497 2.850 20 30 FFEDLO COc1cc2c(cc1OC)CN(C(=O)C[N@@H+](CCC#N)CCC(C)C)CC2 ZINC000173546607 509649595 /nfs/dbraw/zinc/64/95/95/509649595.db2.gz UDMJEGNVIOMEKB-UHFFFAOYSA-N 1 2 373.497 2.850 20 30 FFEDLO C=CCN(C)S(=O)(=O)c1ccc(NCc2cn3ccccc3[nH+]2)cc1 ZINC000176912845 509761147 /nfs/dbraw/zinc/76/11/47/509761147.db2.gz SRDBAOHIILWLIX-UHFFFAOYSA-N 1 2 356.451 2.753 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1)C1CC1 ZINC000251028906 509805939 /nfs/dbraw/zinc/80/59/39/509805939.db2.gz JMBLSBLCCNRNPD-UYAOXDASSA-N 1 2 359.445 2.615 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1)C1CC1 ZINC000251028906 509805941 /nfs/dbraw/zinc/80/59/41/509805941.db2.gz JMBLSBLCCNRNPD-UYAOXDASSA-N 1 2 359.445 2.615 20 30 FFEDLO N#CC1CCN(C(=O)C2CCN(c3ccc4cccc(O)c4[nH+]3)CC2)CC1 ZINC000170856404 509815152 /nfs/dbraw/zinc/81/51/52/509815152.db2.gz RSOZRDKXVALDBE-UHFFFAOYSA-N 1 2 364.449 2.919 20 30 FFEDLO CCc1nnc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c(C#N)c1CC ZINC000268227892 509824966 /nfs/dbraw/zinc/82/49/66/509824966.db2.gz RTECSPSGXWGSOR-CQSZACIVSA-N 1 2 366.469 2.705 20 30 FFEDLO Cc1nc2sccn2c1C[N@@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000268258984 509839791 /nfs/dbraw/zinc/83/97/91/509839791.db2.gz QIBZQAYTGKBAFF-INIZCTEOSA-N 1 2 365.462 2.813 20 30 FFEDLO Cc1nc2sccn2c1C[N@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000268258984 509839796 /nfs/dbraw/zinc/83/97/96/509839796.db2.gz QIBZQAYTGKBAFF-INIZCTEOSA-N 1 2 365.462 2.813 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000265187223 509909198 /nfs/dbraw/zinc/90/91/98/509909198.db2.gz BRSRGRFFKWHQMR-IRXDYDNUSA-N 1 2 364.449 2.626 20 30 FFEDLO CN(C)c1ccc2cc(NC(=O)CNC(=O)c3ccc(C#N)cc3)ccc2[nH+]1 ZINC000171116246 509952998 /nfs/dbraw/zinc/95/29/98/509952998.db2.gz OVQOZSNFHWGHTB-UHFFFAOYSA-N 1 2 373.416 2.541 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186930494 509958633 /nfs/dbraw/zinc/95/86/33/509958633.db2.gz BFTFGXQSXREFGH-UHFFFAOYSA-N 1 2 373.453 2.767 20 30 FFEDLO CCc1ccc(-c2noc([C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)n2)cc1 ZINC000268489101 509966240 /nfs/dbraw/zinc/96/62/40/509966240.db2.gz NFDIXNILDZHBTJ-UONOGXRCSA-N 1 2 355.442 2.710 20 30 FFEDLO CC[N@@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245606174 510035658 /nfs/dbraw/zinc/03/56/58/510035658.db2.gz RCMMKRYOAROIRH-JKSUJKDBSA-N 1 2 373.881 2.838 20 30 FFEDLO CC[N@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245606174 510035666 /nfs/dbraw/zinc/03/56/66/510035666.db2.gz RCMMKRYOAROIRH-JKSUJKDBSA-N 1 2 373.881 2.838 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCO[C@H](Cc4ccccc4)C3)C2=O)cc1 ZINC000245642674 510058396 /nfs/dbraw/zinc/05/83/96/510058396.db2.gz ZJSZOUVLGLSXSL-RTWAWAEBSA-N 1 2 361.445 2.607 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCO[C@H](Cc4ccccc4)C3)C2=O)cc1 ZINC000245642674 510058404 /nfs/dbraw/zinc/05/84/04/510058404.db2.gz ZJSZOUVLGLSXSL-RTWAWAEBSA-N 1 2 361.445 2.607 20 30 FFEDLO N#CC1CCN(C(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CC1 ZINC000177440230 510058985 /nfs/dbraw/zinc/05/89/85/510058985.db2.gz VXPQICMRKFSVJX-UHFFFAOYSA-N 1 2 350.378 2.575 20 30 FFEDLO CC(C)Cn1cc(/C=C/C(=O)c2ccc(O)c(C[NH+]3CCOCC3)c2)cn1 ZINC000180716140 510069377 /nfs/dbraw/zinc/06/93/77/510069377.db2.gz IJLFBXYXLSXWDC-HWKANZROSA-N 1 2 369.465 2.973 20 30 FFEDLO C[C@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000184279635 510237873 /nfs/dbraw/zinc/23/78/73/510237873.db2.gz XRJXJPIDFYHPBV-OAHLLOKOSA-N 1 2 372.432 2.524 20 30 FFEDLO C[C@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000184279635 510237879 /nfs/dbraw/zinc/23/78/79/510237879.db2.gz XRJXJPIDFYHPBV-OAHLLOKOSA-N 1 2 372.432 2.524 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000171630803 510263090 /nfs/dbraw/zinc/26/30/90/510263090.db2.gz WQFIFMMMKTVCNF-AWEZNQCLSA-N 1 2 355.467 2.843 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000171630803 510263093 /nfs/dbraw/zinc/26/30/93/510263093.db2.gz WQFIFMMMKTVCNF-AWEZNQCLSA-N 1 2 355.467 2.843 20 30 FFEDLO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000190663534 510270439 /nfs/dbraw/zinc/27/04/39/510270439.db2.gz IDQSZTQRGAGRRQ-UHFFFAOYSA-N 1 2 364.877 2.731 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000184623808 510424196 /nfs/dbraw/zinc/42/41/96/510424196.db2.gz XSAONOCCGQZVAA-UHFFFAOYSA-N 1 2 369.425 2.649 20 30 FFEDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000175036752 510452050 /nfs/dbraw/zinc/45/20/50/510452050.db2.gz QEXPEYDTYNNJNJ-UHFFFAOYSA-N 1 2 367.409 2.582 20 30 FFEDLO CC[C@@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccc(OC)cc1 ZINC000269740763 510533507 /nfs/dbraw/zinc/53/35/07/510533507.db2.gz KCEZMHGWSOGKLV-SFHVURJKSA-N 1 2 373.497 2.653 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246608870 510582356 /nfs/dbraw/zinc/58/23/56/510582356.db2.gz XZXCBXXKDRHGOB-KFKAGJAMSA-N 1 2 371.481 2.789 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246608870 510582364 /nfs/dbraw/zinc/58/23/64/510582364.db2.gz XZXCBXXKDRHGOB-KFKAGJAMSA-N 1 2 371.481 2.789 20 30 FFEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)S1 ZINC000269908522 510593932 /nfs/dbraw/zinc/59/39/32/510593932.db2.gz GARJYWBCJKMLIO-UHFFFAOYSA-N 1 2 357.483 2.784 20 30 FFEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@@H]2C)nnc1-c1ccc(OC)cc1 ZINC000188249184 510669209 /nfs/dbraw/zinc/66/92/09/510669209.db2.gz VVKZHRGDGAQQHZ-HNNXBMFYSA-N 1 2 374.510 2.953 20 30 FFEDLO C=CCn1c(SCC[N@H+]2CCOC[C@@H]2C)nnc1-c1ccc(OC)cc1 ZINC000188249184 510669218 /nfs/dbraw/zinc/66/92/18/510669218.db2.gz VVKZHRGDGAQQHZ-HNNXBMFYSA-N 1 2 374.510 2.953 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000188249362 510669302 /nfs/dbraw/zinc/66/93/02/510669302.db2.gz QWQXWKSANYJYOR-GQIGUUNPSA-N 1 2 361.486 2.540 20 30 FFEDLO Cc1cccc([C@@H](CNC(=O)c2ccc(CC#N)cc2)[NH+]2CCOCC2)c1 ZINC000270243916 510732821 /nfs/dbraw/zinc/73/28/21/510732821.db2.gz KWLJZATUYZPIBI-OAQYLSRUSA-N 1 2 363.461 2.864 20 30 FFEDLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000246993759 510788838 /nfs/dbraw/zinc/78/88/38/510788838.db2.gz KGPVRTDMSLIWSR-AFMDSPMNSA-N 1 2 367.474 2.533 20 30 FFEDLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000246993759 510788845 /nfs/dbraw/zinc/78/88/45/510788845.db2.gz KGPVRTDMSLIWSR-AFMDSPMNSA-N 1 2 367.474 2.533 20 30 FFEDLO Cn1cc([C@@H]([NH2+]CC(=O)Nc2sccc2C#N)c2ccc(F)cc2)cn1 ZINC000185419593 510840754 /nfs/dbraw/zinc/84/07/54/510840754.db2.gz GWOUKEGIRHBKMS-KRWDZBQOSA-N 1 2 369.425 2.810 20 30 FFEDLO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329927164 510879996 /nfs/dbraw/zinc/87/99/96/510879996.db2.gz WTLWCVXJGUXYRI-WHSLLNHNSA-N 1 2 371.481 2.935 20 30 FFEDLO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329927164 510879998 /nfs/dbraw/zinc/87/99/98/510879998.db2.gz WTLWCVXJGUXYRI-WHSLLNHNSA-N 1 2 371.481 2.935 20 30 FFEDLO Cc1ccsc1-c1nc(=NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)s[nH]1 ZINC000329947719 510884406 /nfs/dbraw/zinc/88/44/06/510884406.db2.gz YPBREUCDTCORJY-VXGBXAGGSA-N 1 2 363.512 2.950 20 30 FFEDLO Cc1ccsc1-c1nc(=NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)s[nH]1 ZINC000329947719 510884410 /nfs/dbraw/zinc/88/44/10/510884410.db2.gz YPBREUCDTCORJY-VXGBXAGGSA-N 1 2 363.512 2.950 20 30 FFEDLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000329945606 510884574 /nfs/dbraw/zinc/88/45/74/510884574.db2.gz JEJABNXCAXFVGN-OCCSQVGLSA-N 1 2 372.477 2.652 20 30 FFEDLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000329945606 510884583 /nfs/dbraw/zinc/88/45/83/510884583.db2.gz JEJABNXCAXFVGN-OCCSQVGLSA-N 1 2 372.477 2.652 20 30 FFEDLO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000329956007 510886330 /nfs/dbraw/zinc/88/63/30/510886330.db2.gz PHPNDDYCUKQEOG-FUHWJXTLSA-N 1 2 355.486 2.562 20 30 FFEDLO Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000329956007 510886334 /nfs/dbraw/zinc/88/63/34/510886334.db2.gz PHPNDDYCUKQEOG-FUHWJXTLSA-N 1 2 355.486 2.562 20 30 FFEDLO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1cn([C@H]2CCOC2)nn1 ZINC000330049205 510906455 /nfs/dbraw/zinc/90/64/55/510906455.db2.gz JEEXRKKHHPWFHQ-AWEZNQCLSA-N 1 2 366.425 2.952 20 30 FFEDLO CCN1CCN(C(=O)Nc2cc(Cl)ccc2OC)C[C@H]1c1[nH]cc[nH+]1 ZINC000330050014 510906732 /nfs/dbraw/zinc/90/67/32/510906732.db2.gz KCDYYOGFIRQBER-AWEZNQCLSA-N 1 2 363.849 2.996 20 30 FFEDLO CCN1CCN(C(=O)N=c2[nH]c3ccccc3s2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330046144 510906741 /nfs/dbraw/zinc/90/67/41/510906741.db2.gz GUGNVSOTGLVEOP-CYBMUJFWSA-N 1 2 356.455 2.944 20 30 FFEDLO C[C@H]1C[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](C)S1=O ZINC000330096987 510914704 /nfs/dbraw/zinc/91/47/04/510914704.db2.gz AGLYRIRNISYYEC-RYUDHWBXSA-N 1 2 365.524 2.928 20 30 FFEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccccc2OC)C[C@@]2(CCOC2)O1 ZINC000330103682 510917151 /nfs/dbraw/zinc/91/71/51/510917151.db2.gz GMYWKCNMHUVKIO-JXXFODFXSA-N 1 2 362.470 2.983 20 30 FFEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2ccccc2OC)C[C@@]2(CCOC2)O1 ZINC000330103682 510917154 /nfs/dbraw/zinc/91/71/54/510917154.db2.gz GMYWKCNMHUVKIO-JXXFODFXSA-N 1 2 362.470 2.983 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)N[C@@H]2CCCSC2)[NH+]2CCOCC2)c1 ZINC000330147074 510925011 /nfs/dbraw/zinc/92/50/11/510925011.db2.gz IKISRSAYWZDTOL-MSOLQXFVSA-N 1 2 363.527 2.768 20 30 FFEDLO N#CCCCOc1cccnc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000276031554 510925037 /nfs/dbraw/zinc/92/50/37/510925037.db2.gz DYQXMMFLDARLRW-UHFFFAOYSA-N 1 2 354.414 2.899 20 30 FFEDLO O=C(C[N@@H+]1CCS[C@H]2COCC[C@H]21)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000330171066 510930264 /nfs/dbraw/zinc/93/02/64/510930264.db2.gz FBNQRZZFGMSJSI-RISCZKNCSA-N 1 2 372.393 2.802 20 30 FFEDLO O=C(C[N@H+]1CCS[C@H]2COCC[C@H]21)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000330171066 510930266 /nfs/dbraw/zinc/93/02/66/510930266.db2.gz FBNQRZZFGMSJSI-RISCZKNCSA-N 1 2 372.393 2.802 20 30 FFEDLO C[C@@H](c1cccc(NC(=O)Nc2ccn(CCC#N)n2)c1)[NH+]1CCOCC1 ZINC000276400498 510936956 /nfs/dbraw/zinc/93/69/56/510936956.db2.gz ULRBCNRUAJLZRN-HNNXBMFYSA-N 1 2 368.441 2.834 20 30 FFEDLO Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000330219887 510940558 /nfs/dbraw/zinc/94/05/58/510940558.db2.gz KLKRWLMMEAXMSH-KRWDZBQOSA-N 1 2 364.490 2.675 20 30 FFEDLO C[C@@H]1CN(c2cccc(F)c2)CCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000330233072 510943222 /nfs/dbraw/zinc/94/32/22/510943222.db2.gz XSUXMSJMXFEVDW-UKRRQHHQSA-N 1 2 357.433 2.531 20 30 FFEDLO C[C@@H]1CN(c2cccc(F)c2)CCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000330233072 510943226 /nfs/dbraw/zinc/94/32/26/510943226.db2.gz XSUXMSJMXFEVDW-UKRRQHHQSA-N 1 2 357.433 2.531 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)N[C@H](C2CCCC2)C(F)(F)F)CCN1C ZINC000330321553 510963219 /nfs/dbraw/zinc/96/32/19/510963219.db2.gz GBDKUMAMOFHLGS-ZIAGYGMSSA-N 1 2 373.423 2.744 20 30 FFEDLO O=C(NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330328333 510964364 /nfs/dbraw/zinc/96/43/64/510964364.db2.gz LPSFEDJZDHUNIL-NWDGAFQWSA-N 1 2 367.375 2.880 20 30 FFEDLO CC[C@H](C)n1nc(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc1C ZINC000330331817 510965811 /nfs/dbraw/zinc/96/58/11/510965811.db2.gz OJLLTUCFJFIKLT-BJJXKVORSA-N 1 2 360.462 2.564 20 30 FFEDLO CCN1CCN(C(=O)Nc2ccc3c(c2)NC(=O)CC3)C[C@H]1c1[nH]cc[nH+]1 ZINC000330342675 510971675 /nfs/dbraw/zinc/97/16/75/510971675.db2.gz BEMSYUCFULKQBQ-INIZCTEOSA-N 1 2 368.441 2.868 20 30 FFEDLO CCN1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330353385 510973461 /nfs/dbraw/zinc/97/34/61/510973461.db2.gz OJWGMLUEFFNTLU-HNNXBMFYSA-N 1 2 358.833 2.859 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285619319 510981218 /nfs/dbraw/zinc/98/12/18/510981218.db2.gz QPLKTLCFEDDWIL-WBMJQRKESA-N 1 2 355.360 2.665 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285619319 510981222 /nfs/dbraw/zinc/98/12/22/510981222.db2.gz QPLKTLCFEDDWIL-WBMJQRKESA-N 1 2 355.360 2.665 20 30 FFEDLO COc1ccc(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)c(Br)c1 ZINC000330463174 510984588 /nfs/dbraw/zinc/98/45/88/510984588.db2.gz CDXQQBKCZCWNMU-NSHDSACASA-N 1 2 372.263 2.504 20 30 FFEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1nc(Cc2cccc(F)c2)no1 ZINC000278260284 510986065 /nfs/dbraw/zinc/98/60/65/510986065.db2.gz NSZSKFHBUNKAAQ-GFCCVEGCSA-N 1 2 350.394 2.649 20 30 FFEDLO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)no1 ZINC000330500875 510987498 /nfs/dbraw/zinc/98/74/98/510987498.db2.gz ROYIOKIIRBDVKR-QMTMVMCOSA-N 1 2 361.490 2.815 20 30 FFEDLO CC(C)c1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)no1 ZINC000330500875 510987501 /nfs/dbraw/zinc/98/75/01/510987501.db2.gz ROYIOKIIRBDVKR-QMTMVMCOSA-N 1 2 361.490 2.815 20 30 FFEDLO C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F)[NH+]1CCOCC1 ZINC000330519658 510991283 /nfs/dbraw/zinc/99/12/83/510991283.db2.gz HRSWLRFBPQFVRF-NSHDSACASA-N 1 2 362.396 2.682 20 30 FFEDLO Cc1cc(NC(=O)NCCC[S@](C)=O)c[nH+]c1N1CCCC[C@@H]1C ZINC000330774117 511015706 /nfs/dbraw/zinc/01/57/06/511015706.db2.gz GKLHSZCKAFYPNY-BSEYFRJRSA-N 1 2 352.504 2.863 20 30 FFEDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000331078804 511040856 /nfs/dbraw/zinc/04/08/56/511040856.db2.gz XVVMCFYOLMARBY-UHFFFAOYSA-N 1 2 350.419 2.648 20 30 FFEDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000331078804 511040862 /nfs/dbraw/zinc/04/08/62/511040862.db2.gz XVVMCFYOLMARBY-UHFFFAOYSA-N 1 2 350.419 2.648 20 30 FFEDLO CC(C)[C@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)c1ccc2c(c1)OCCO2 ZINC000332046085 511076208 /nfs/dbraw/zinc/07/62/08/511076208.db2.gz SCTVQXKAMZYJIK-FQEVSTJZSA-N 1 2 371.481 2.897 20 30 FFEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289287188 511097111 /nfs/dbraw/zinc/09/71/11/511097111.db2.gz AQQGTDILWUWREP-SECBINFHSA-N 1 2 359.167 2.933 20 30 FFEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289287188 511097113 /nfs/dbraw/zinc/09/71/13/511097113.db2.gz AQQGTDILWUWREP-SECBINFHSA-N 1 2 359.167 2.933 20 30 FFEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)cs1 ZINC000294545500 511099630 /nfs/dbraw/zinc/09/96/30/511099630.db2.gz IIHXWGSVLGEWPT-LJQANCHMSA-N 1 2 358.511 2.960 20 30 FFEDLO Cc1nc(C[N@H+]2CCCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)cs1 ZINC000294545500 511099634 /nfs/dbraw/zinc/09/96/34/511099634.db2.gz IIHXWGSVLGEWPT-LJQANCHMSA-N 1 2 358.511 2.960 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)cc1OCCCC#N ZINC000271217542 511124602 /nfs/dbraw/zinc/12/46/02/511124602.db2.gz XQHCPVBKOHCJIB-IYPVNNRCSA-N 1 2 350.484 2.719 20 30 FFEDLO COc1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)cc1OCCCC#N ZINC000271217542 511124606 /nfs/dbraw/zinc/12/46/06/511124606.db2.gz XQHCPVBKOHCJIB-IYPVNNRCSA-N 1 2 350.484 2.719 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N(C)Cc2ccccc2C)n1 ZINC000279670948 511170293 /nfs/dbraw/zinc/17/02/93/511170293.db2.gz FHSHOZATFRZTEX-SFHVURJKSA-N 1 2 352.482 2.694 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N(C)Cc2ccccc2C)n1 ZINC000279670948 511170295 /nfs/dbraw/zinc/17/02/95/511170295.db2.gz FHSHOZATFRZTEX-SFHVURJKSA-N 1 2 352.482 2.694 20 30 FFEDLO CC(C)[C@@H]1C[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CCO1 ZINC000271357443 511175643 /nfs/dbraw/zinc/17/56/43/511175643.db2.gz XLSUJBZVOLAGPK-KSSFIOAISA-N 1 2 368.481 2.850 20 30 FFEDLO N#C[C@]1(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CC12CCCC2 ZINC000333375007 511222305 /nfs/dbraw/zinc/22/23/05/511222305.db2.gz ALOCAZCQZDEMGE-FQEVSTJZSA-N 1 2 365.437 2.812 20 30 FFEDLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)C[C@@H](C)C#N ZINC000294989457 511245087 /nfs/dbraw/zinc/24/50/87/511245087.db2.gz XZFMMXHPSJRSBO-NWDGAFQWSA-N 1 2 368.275 2.554 20 30 FFEDLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+](C)C[C@@H](C)C#N ZINC000294989457 511245095 /nfs/dbraw/zinc/24/50/95/511245095.db2.gz XZFMMXHPSJRSBO-NWDGAFQWSA-N 1 2 368.275 2.554 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3ccc4c(c3)ncn4C)CC2)c1C#N ZINC000291545600 511240372 /nfs/dbraw/zinc/24/03/72/511240372.db2.gz LSYPNZUECCZDJE-UHFFFAOYSA-N 1 2 352.467 2.532 20 30 FFEDLO CCOc1ccc(C#N)cc1NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000363031579 511308384 /nfs/dbraw/zinc/30/83/84/511308384.db2.gz LRGWIEHHZFKUHU-UHFFFAOYSA-N 1 2 362.393 2.859 20 30 FFEDLO CC[C@H](C)[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)C(=O)OC ZINC000298742458 511394712 /nfs/dbraw/zinc/39/47/12/511394712.db2.gz BZIAMKOLUSZYQM-ZBEGNZNMSA-N 1 2 363.483 2.614 20 30 FFEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc(C#N)ccc1Br)CCO2 ZINC000280332690 511425072 /nfs/dbraw/zinc/42/50/72/511425072.db2.gz HIMCMFLVSWKSOE-MLGOLLRUSA-N 1 2 351.244 2.701 20 30 FFEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc(C#N)ccc1Br)CCO2 ZINC000280332690 511425075 /nfs/dbraw/zinc/42/50/75/511425075.db2.gz HIMCMFLVSWKSOE-MLGOLLRUSA-N 1 2 351.244 2.701 20 30 FFEDLO Cn1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C2CC2)n1 ZINC000292177984 511495673 /nfs/dbraw/zinc/49/56/73/511495673.db2.gz ZCZYOMGKHDAEPK-UHFFFAOYSA-N 1 2 364.453 2.519 20 30 FFEDLO CCCC[C@@H](ON=C(C)C)C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000272592328 511499964 /nfs/dbraw/zinc/49/99/64/511499964.db2.gz ISQOLWFRMVPQDK-GOSISDBHSA-N 1 2 364.490 2.907 20 30 FFEDLO CC(C)[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1[nH]cc[nH+]1 ZINC000295917138 511554645 /nfs/dbraw/zinc/55/46/45/511554645.db2.gz HSQAOWXZRJEUOJ-ZDUSSCGKSA-N 1 2 372.372 2.976 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@H](O)C[C@@H]2C)c1C#N ZINC000292539363 511636005 /nfs/dbraw/zinc/63/60/05/511636005.db2.gz XOFZOCIPZVRATJ-KSSFIOAISA-N 1 2 366.465 2.750 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](O)C[C@@H]2C)c1C#N ZINC000292539363 511636010 /nfs/dbraw/zinc/63/60/10/511636010.db2.gz XOFZOCIPZVRATJ-KSSFIOAISA-N 1 2 366.465 2.750 20 30 FFEDLO Cc1nc(N2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)cc[nH+]1 ZINC000273942980 511664210 /nfs/dbraw/zinc/66/42/10/511664210.db2.gz XLDOGESMWVPEFH-UHFFFAOYSA-N 1 2 356.817 2.664 20 30 FFEDLO C=CCCCN(C)C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000284624397 511798702 /nfs/dbraw/zinc/79/87/02/511798702.db2.gz IIZSMYUBDXLRAT-MRXNPFEDSA-N 1 2 374.872 2.704 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(Cc3ccccc3F)s2)CC1 ZINC000274628033 511893489 /nfs/dbraw/zinc/89/34/89/511893489.db2.gz XBIJVYJZVGXOSJ-UHFFFAOYSA-N 1 2 357.454 2.654 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCc1cc(F)cc3c1OCOC3)CCC2 ZINC000328638339 511903496 /nfs/dbraw/zinc/90/34/96/511903496.db2.gz BIZFFNHPPBSCNH-CYBMUJFWSA-N 1 2 374.416 2.778 20 30 FFEDLO N#Cc1ccc(CSCC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000366236524 511916026 /nfs/dbraw/zinc/91/60/26/511916026.db2.gz VTFGZTNNVYOPDA-RBUKOAKNSA-N 1 2 373.522 2.551 20 30 FFEDLO Cc1ccc([C@@H](CNC(=O)c2cn3c(n2)CCCC3)[NH+]2CCOCC2)cc1 ZINC000328696151 511916776 /nfs/dbraw/zinc/91/67/76/511916776.db2.gz GRANVXMYOWEQMM-LJQANCHMSA-N 1 2 368.481 2.906 20 30 FFEDLO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000328778887 511931331 /nfs/dbraw/zinc/93/13/31/511931331.db2.gz DUPVGLCNOMFFBM-CQSZACIVSA-N 1 2 367.515 2.761 20 30 FFEDLO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000328778887 511931335 /nfs/dbraw/zinc/93/13/35/511931335.db2.gz DUPVGLCNOMFFBM-CQSZACIVSA-N 1 2 367.515 2.761 20 30 FFEDLO O=C(Nc1scnc1C1CC1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000328912792 511949068 /nfs/dbraw/zinc/94/90/68/511949068.db2.gz HNBNNKZYSMWPJP-CQSZACIVSA-N 1 2 350.488 2.753 20 30 FFEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Nc2scnc2C2CC2)CC1 ZINC000328905596 511949545 /nfs/dbraw/zinc/94/95/45/511949545.db2.gz AXLCSZGHDMBERK-NSHDSACASA-N 1 2 363.487 2.691 20 30 FFEDLO CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000328977056 511959605 /nfs/dbraw/zinc/95/96/05/511959605.db2.gz WPLAJNNBXLRLEW-JFIYKMOQSA-N 1 2 364.490 2.609 20 30 FFEDLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)NC1(c2ccccc2)CCC1 ZINC000328993258 511963156 /nfs/dbraw/zinc/96/31/56/511963156.db2.gz VUXPXGWATPIOSY-OTWHNJEPSA-N 1 2 358.482 2.884 20 30 FFEDLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)NC1(c2ccccc2)CCC1 ZINC000328993258 511963161 /nfs/dbraw/zinc/96/31/61/511963161.db2.gz VUXPXGWATPIOSY-OTWHNJEPSA-N 1 2 358.482 2.884 20 30 FFEDLO CCC1(CO)CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000328997080 511964767 /nfs/dbraw/zinc/96/47/67/511964767.db2.gz UROFDIBJDWIWTP-HNNXBMFYSA-N 1 2 362.518 2.894 20 30 FFEDLO CCC1(CO)CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000328997081 511964817 /nfs/dbraw/zinc/96/48/17/511964817.db2.gz UROFDIBJDWIWTP-OAHLLOKOSA-N 1 2 362.518 2.894 20 30 FFEDLO O=C(NC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1)c1ccsc1 ZINC000329006730 511966154 /nfs/dbraw/zinc/96/61/54/511966154.db2.gz XYFMSBJVTIYFHR-ZDUSSCGKSA-N 1 2 358.467 2.503 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)CC[C@@H]21 ZINC000329031413 511971166 /nfs/dbraw/zinc/97/11/66/511971166.db2.gz PSSDMKGGXPLOPF-JCNKGUOZSA-N 1 2 374.529 2.993 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)CC[C@@H]21 ZINC000329031413 511971167 /nfs/dbraw/zinc/97/11/67/511971167.db2.gz PSSDMKGGXPLOPF-JCNKGUOZSA-N 1 2 374.529 2.993 20 30 FFEDLO Cc1ccsc1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329076789 511977512 /nfs/dbraw/zinc/97/75/12/511977512.db2.gz PWRMMCVLGDXELK-CZUORRHYSA-N 1 2 358.467 2.989 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccnc(C#N)c2)[C@H](C)C1 ZINC000281836208 511983771 /nfs/dbraw/zinc/98/37/71/511983771.db2.gz NUKBOXGTKNPDSF-MRXNPFEDSA-N 1 2 364.449 2.698 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccnc(C#N)c2)[C@H](C)C1 ZINC000281836208 511983775 /nfs/dbraw/zinc/98/37/75/511983775.db2.gz NUKBOXGTKNPDSF-MRXNPFEDSA-N 1 2 364.449 2.698 20 30 FFEDLO O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000329112743 511985982 /nfs/dbraw/zinc/98/59/82/511985982.db2.gz KVIHGRFIHKGDTL-QGZVFWFLSA-N 1 2 371.481 2.768 20 30 FFEDLO Cc1c(-c2cc(C[N@@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)on2)cnn1C ZINC000364153509 511986656 /nfs/dbraw/zinc/98/66/56/511986656.db2.gz NONPEJLULRLFRD-HXUWFJFHSA-N 1 2 363.421 2.829 20 30 FFEDLO Cc1c(-c2cc(C[N@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)on2)cnn1C ZINC000364153509 511986661 /nfs/dbraw/zinc/98/66/61/511986661.db2.gz NONPEJLULRLFRD-HXUWFJFHSA-N 1 2 363.421 2.829 20 30 FFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC(Cc2cccnc2)CC1 ZINC000329130394 511988286 /nfs/dbraw/zinc/98/82/86/511988286.db2.gz WXOABWHKLHMEGP-UHFFFAOYSA-N 1 2 353.470 2.983 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000281857628 511991185 /nfs/dbraw/zinc/99/11/85/511991185.db2.gz YTZJLGDXPSPENU-MRXNPFEDSA-N 1 2 362.430 2.830 20 30 FFEDLO CC[C@@H]1[C@@H](C)CCN1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329240227 512011774 /nfs/dbraw/zinc/01/17/74/512011774.db2.gz QUZMPCVTHLVJOQ-GKDNMFGBSA-N 1 2 373.501 2.649 20 30 FFEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000329261538 512016179 /nfs/dbraw/zinc/01/61/79/512016179.db2.gz DYIWYUNIWLHZSF-HUUCEWRRSA-N 1 2 371.489 2.819 20 30 FFEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000329261538 512016185 /nfs/dbraw/zinc/01/61/85/512016185.db2.gz DYIWYUNIWLHZSF-HUUCEWRRSA-N 1 2 371.489 2.819 20 30 FFEDLO O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)N1CCn2cc[nH+]c2C1 ZINC000329279497 512018280 /nfs/dbraw/zinc/01/82/80/512018280.db2.gz LQAXUJGOSBRNLP-LBPRGKRZSA-N 1 2 363.824 2.684 20 30 FFEDLO O=C(c1cccc([NH+]=C([O-])N2CCC[C@H]2Cn2cc[nH+]c2)c1)N1CCCC1 ZINC000329272556 512019078 /nfs/dbraw/zinc/01/90/78/512019078.db2.gz JRXAZTJNRSTXLH-SFHVURJKSA-N 1 2 367.453 2.829 20 30 FFEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(Cl)c(OC(F)F)c3)C[C@@H]21 ZINC000329316599 512026321 /nfs/dbraw/zinc/02/63/21/512026321.db2.gz HPCCVOIVERQKKY-WCQYABFASA-N 1 2 361.776 2.502 20 30 FFEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(Cl)c(OC(F)F)c3)C[C@@H]21 ZINC000329316599 512026326 /nfs/dbraw/zinc/02/63/26/512026326.db2.gz HPCCVOIVERQKKY-WCQYABFASA-N 1 2 361.776 2.502 20 30 FFEDLO Cc1ccc2c(c1)[C@@H](NC(=O)N1CC[NH+](Cc3cnn(C)c3)CC1)CCC2 ZINC000329328783 512027440 /nfs/dbraw/zinc/02/74/40/512027440.db2.gz XXFFTMWDSAIWLH-FQEVSTJZSA-N 1 2 367.497 2.838 20 30 FFEDLO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000329347962 512030791 /nfs/dbraw/zinc/03/07/91/512030791.db2.gz CPZRXSXOCWFHRH-XYJFISCASA-N 1 2 365.518 2.623 20 30 FFEDLO O=C(C[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)NC1CCCCC1 ZINC000329485729 512056071 /nfs/dbraw/zinc/05/60/71/512056071.db2.gz XFKNUNLFZLCNNR-QGZVFWFLSA-N 1 2 371.547 2.602 20 30 FFEDLO O=C(C[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)NC1CCCCC1 ZINC000329485729 512056072 /nfs/dbraw/zinc/05/60/72/512056072.db2.gz XFKNUNLFZLCNNR-QGZVFWFLSA-N 1 2 371.547 2.602 20 30 FFEDLO Cn1nnc2ccc(C(=O)N[C@@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)cc21 ZINC000329547783 512067606 /nfs/dbraw/zinc/06/76/06/512067606.db2.gz CCARIPQYUSTOPB-CYBMUJFWSA-N 1 2 352.442 2.782 20 30 FFEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCO[C@H](C2CCCCC2)C1 ZINC000329655869 512082760 /nfs/dbraw/zinc/08/27/60/512082760.db2.gz FYNOPHDFPYELOY-SFHVURJKSA-N 1 2 360.502 2.957 20 30 FFEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329655866 512083088 /nfs/dbraw/zinc/08/30/88/512083088.db2.gz FYNOPHDFPYELOY-GOSISDBHSA-N 1 2 360.502 2.957 20 30 FFEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2ccc3oc(CC(C)(C)C)nc3c2)C1 ZINC000329673640 512085712 /nfs/dbraw/zinc/08/57/12/512085712.db2.gz ODKNXVPUCZUDSS-HNNXBMFYSA-N 1 2 373.501 2.988 20 30 FFEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2ccc3oc(CC(C)(C)C)nc3c2)C1 ZINC000329673640 512085716 /nfs/dbraw/zinc/08/57/16/512085716.db2.gz ODKNXVPUCZUDSS-HNNXBMFYSA-N 1 2 373.501 2.988 20 30 FFEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)NCCc1cccc3cccnc31)CCO2 ZINC000329893739 512105618 /nfs/dbraw/zinc/10/56/18/512105618.db2.gz AVEOVLNAIUXGDM-KKSFZXQISA-N 1 2 369.465 2.614 20 30 FFEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)NCCc1cccc3cccnc31)CCO2 ZINC000329893739 512105619 /nfs/dbraw/zinc/10/56/19/512105619.db2.gz AVEOVLNAIUXGDM-KKSFZXQISA-N 1 2 369.465 2.614 20 30 FFEDLO CC(C)(C(=O)NCc1cccc(NC(=O)N2CCCC2)c1)[NH+]1CCOCC1 ZINC000329900931 512106010 /nfs/dbraw/zinc/10/60/10/512106010.db2.gz OEXAUIXASREZPJ-UHFFFAOYSA-N 1 2 374.485 2.895 20 30 FFEDLO O=C(C[N@@H+]1CCO[C@@]2(CCOC2)C1)NCc1ccccc1OC1CCCC1 ZINC000329899713 512106126 /nfs/dbraw/zinc/10/61/26/512106126.db2.gz NEVUICKSVOMQKQ-NRFANRHFSA-N 1 2 374.481 2.956 20 30 FFEDLO O=C(C[N@H+]1CCO[C@@]2(CCOC2)C1)NCc1ccccc1OC1CCCC1 ZINC000329899713 512106127 /nfs/dbraw/zinc/10/61/27/512106127.db2.gz NEVUICKSVOMQKQ-NRFANRHFSA-N 1 2 374.481 2.956 20 30 FFEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000373693249 512459339 /nfs/dbraw/zinc/45/93/39/512459339.db2.gz HXVHBCIKEKYQFY-UHFFFAOYSA-N 1 2 359.389 2.625 20 30 FFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000377916603 512510838 /nfs/dbraw/zinc/51/08/38/512510838.db2.gz QUHVCEIDJMYWLW-ZWKOTPCHSA-N 1 2 366.465 2.623 20 30 FFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000377916603 512510844 /nfs/dbraw/zinc/51/08/44/512510844.db2.gz QUHVCEIDJMYWLW-ZWKOTPCHSA-N 1 2 366.465 2.623 20 30 FFEDLO CC[C@@](C)(C#N)C(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000375803496 512515093 /nfs/dbraw/zinc/51/50/93/512515093.db2.gz CRIRVMKZZMVULR-IBGZPJMESA-N 1 2 373.888 2.962 20 30 FFEDLO CC[C@@](C)(C#N)C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000375803496 512515098 /nfs/dbraw/zinc/51/50/98/512515098.db2.gz CRIRVMKZZMVULR-IBGZPJMESA-N 1 2 373.888 2.962 20 30 FFEDLO CC(C)(CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[NH+]1CCOCC1 ZINC000369757461 512593244 /nfs/dbraw/zinc/59/32/44/512593244.db2.gz MPFGWWRJYHVLEW-RBUKOAKNSA-N 1 2 370.497 2.579 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000375976021 512597147 /nfs/dbraw/zinc/59/71/47/512597147.db2.gz SUBZJTRGCCTCFM-IRXDYDNUSA-N 1 2 365.518 2.742 20 30 FFEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000378236751 512652884 /nfs/dbraw/zinc/65/28/84/512652884.db2.gz UNYSFQDGDPHMEB-LLVKDONJSA-N 1 2 350.831 2.503 20 30 FFEDLO CC[C@@H](C)[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)C(=O)OC ZINC000411525157 512674010 /nfs/dbraw/zinc/67/40/10/512674010.db2.gz BZIAMKOLUSZYQM-BDJLRTHQSA-N 1 2 363.483 2.614 20 30 FFEDLO CC(C)(C#N)CCCn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000368405741 512933403 /nfs/dbraw/zinc/93/34/03/512933403.db2.gz UZKUCIGYDFOUKJ-QGZVFWFLSA-N 1 2 354.458 2.577 20 30 FFEDLO CC(C)(C#N)CCCn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000368405741 512933409 /nfs/dbraw/zinc/93/34/09/512933409.db2.gz UZKUCIGYDFOUKJ-QGZVFWFLSA-N 1 2 354.458 2.577 20 30 FFEDLO C[C@@H]1C[N@@H+]([C@H](CNc2nccc(C#N)c2Cl)c2cccs2)CCO1 ZINC000429196440 513302645 /nfs/dbraw/zinc/30/26/45/513302645.db2.gz JZQVOBRHMNMIKY-TZMCWYRMSA-N 1 2 362.886 2.964 20 30 FFEDLO C[C@@H]1C[N@H+]([C@H](CNc2nccc(C#N)c2Cl)c2cccs2)CCO1 ZINC000429196440 513302648 /nfs/dbraw/zinc/30/26/48/513302648.db2.gz JZQVOBRHMNMIKY-TZMCWYRMSA-N 1 2 362.886 2.964 20 30 FFEDLO Cc1nc2ccc(NC(=O)N(CCC#N)CC[NH+]3CCOCC3)cc2s1 ZINC000429224329 513308017 /nfs/dbraw/zinc/30/80/17/513308017.db2.gz ZXCWWMQZAPXWDY-UHFFFAOYSA-N 1 2 373.482 2.685 20 30 FFEDLO CC(C)c1ncc(C[N@H+](C)CC(=O)N(CCC#N)c2ccccc2)cn1 ZINC000440476403 513329048 /nfs/dbraw/zinc/32/90/48/513329048.db2.gz VMFIIQBPLFQRKL-UHFFFAOYSA-N 1 2 351.454 2.979 20 30 FFEDLO CC(C)c1ncc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)cn1 ZINC000440476403 513329053 /nfs/dbraw/zinc/32/90/53/513329053.db2.gz VMFIIQBPLFQRKL-UHFFFAOYSA-N 1 2 351.454 2.979 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@@]3(CO)CCCc4ccccc43)o2)c1 ZINC000440815848 513412754 /nfs/dbraw/zinc/41/27/54/513412754.db2.gz AMZXFLNYIPLUPX-OAQYLSRUSA-N 1 2 360.417 2.922 20 30 FFEDLO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000450976016 513434293 /nfs/dbraw/zinc/43/42/93/513434293.db2.gz PRAQOVFWTKCULI-UHFFFAOYSA-N 1 2 364.858 2.692 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2CO)cc1Cl ZINC000440912081 513434690 /nfs/dbraw/zinc/43/46/90/513434690.db2.gz BIAAENFPTLBIQU-GOSISDBHSA-N 1 2 355.825 2.742 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCc3ccccc3[C@H]2CO)cc1Cl ZINC000440912081 513434699 /nfs/dbraw/zinc/43/46/99/513434699.db2.gz BIAAENFPTLBIQU-GOSISDBHSA-N 1 2 355.825 2.742 20 30 FFEDLO Cc1cc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)c(C#N)c[nH+]1 ZINC000425205669 513451013 /nfs/dbraw/zinc/45/10/13/513451013.db2.gz BZTOWDCZWZIKCS-UHFFFAOYSA-N 1 2 351.406 2.573 20 30 FFEDLO Cc1cc(NC[C@H](c2cccc(Cl)c2)N2CCOCC2)c(C#N)c[nH+]1 ZINC000425219957 513458343 /nfs/dbraw/zinc/45/83/43/513458343.db2.gz CLAQQZKCQSAHLR-LJQANCHMSA-N 1 2 356.857 2.822 20 30 FFEDLO Cc1cc(N2CCC[N@H+](Cc3cscn3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413122432 513462911 /nfs/dbraw/zinc/46/29/11/513462911.db2.gz ZTAOYYOGIRKCMQ-UHFFFAOYSA-N 1 2 357.439 2.944 20 30 FFEDLO Cc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413122432 513462917 /nfs/dbraw/zinc/46/29/17/513462917.db2.gz ZTAOYYOGIRKCMQ-UHFFFAOYSA-N 1 2 357.439 2.944 20 30 FFEDLO C=CCOc1ccc(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)cc1 ZINC000413276634 513564409 /nfs/dbraw/zinc/56/44/09/513564409.db2.gz CSBJJIAIWIQNIA-NVXWUHKLSA-N 1 2 354.454 2.861 20 30 FFEDLO C=CCOc1ccc(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)cc1 ZINC000413276634 513564413 /nfs/dbraw/zinc/56/44/13/513564413.db2.gz CSBJJIAIWIQNIA-NVXWUHKLSA-N 1 2 354.454 2.861 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])C1=O ZINC000425446334 513569924 /nfs/dbraw/zinc/56/99/24/513569924.db2.gz PZMIUHZUMNWSQV-ZDUSSCGKSA-N 1 2 368.231 2.576 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])C1=O ZINC000425446334 513569933 /nfs/dbraw/zinc/56/99/33/513569933.db2.gz PZMIUHZUMNWSQV-ZDUSSCGKSA-N 1 2 368.231 2.576 20 30 FFEDLO CC(C)(C)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)C1=O ZINC000425469452 513583459 /nfs/dbraw/zinc/58/34/59/513583459.db2.gz DYPBNNAYIAXODL-KRWDZBQOSA-N 1 2 360.889 2.733 20 30 FFEDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000430205887 513587711 /nfs/dbraw/zinc/58/77/11/513587711.db2.gz NJVHCOXJLIJEQI-IBGZPJMESA-N 1 2 366.421 2.986 20 30 FFEDLO CC[C@](C)(C(=O)OC)[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC1CC1 ZINC000425508248 513608798 /nfs/dbraw/zinc/60/87/98/513608798.db2.gz GQFNAXNBEUOMRR-LJQANCHMSA-N 1 2 363.502 2.725 20 30 FFEDLO CC[C@](C)(C(=O)OC)[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC1CC1 ZINC000425508248 513608805 /nfs/dbraw/zinc/60/88/05/513608805.db2.gz GQFNAXNBEUOMRR-LJQANCHMSA-N 1 2 363.502 2.725 20 30 FFEDLO CC[C@](C)(C(=O)OC)[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)CC1CC1 ZINC000425512738 513613220 /nfs/dbraw/zinc/61/32/20/513613220.db2.gz NJOTYKNBCFMVEU-LJQANCHMSA-N 1 2 361.442 2.760 20 30 FFEDLO CC[C@](C)(C(=O)OC)[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)CC1CC1 ZINC000425512738 513613225 /nfs/dbraw/zinc/61/32/25/513613225.db2.gz NJOTYKNBCFMVEU-LJQANCHMSA-N 1 2 361.442 2.760 20 30 FFEDLO COc1ccc([C@@H]([NH2+][C@H](C)C(=O)NC2(C#N)CCC2)c2ccco2)cc1 ZINC000419288976 513765571 /nfs/dbraw/zinc/76/55/71/513765571.db2.gz PVYYAONPRZBIBB-RDTXWAMCSA-N 1 2 353.422 2.918 20 30 FFEDLO CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)[C@H](C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000416461984 513784005 /nfs/dbraw/zinc/78/40/05/513784005.db2.gz ZQLRXUDFJNEYMD-RLCCDNCMSA-N 1 2 373.881 2.834 20 30 FFEDLO CC(C)[N@H+]1CC[C@H](NS(=O)(=O)[C@H](C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000416461984 513784009 /nfs/dbraw/zinc/78/40/09/513784009.db2.gz ZQLRXUDFJNEYMD-RLCCDNCMSA-N 1 2 373.881 2.834 20 30 FFEDLO N#CC1(CNC(=O)NCc2cn3cc(Br)ccc3[nH+]2)CCC1 ZINC000419430625 513804476 /nfs/dbraw/zinc/80/44/76/513804476.db2.gz UXINOLHRNGXERT-UHFFFAOYSA-N 1 2 362.231 2.590 20 30 FFEDLO N#CCC1(CS(=O)(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)CC1 ZINC000451529693 513811582 /nfs/dbraw/zinc/81/15/82/513811582.db2.gz GYYKRZYQLFFAAX-KRWDZBQOSA-N 1 2 373.478 2.724 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c1 ZINC000436265638 513811882 /nfs/dbraw/zinc/81/18/82/513811882.db2.gz ZVRHGQVMDCADGR-RTWAWAEBSA-N 1 2 351.425 2.783 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c1 ZINC000436265638 513811886 /nfs/dbraw/zinc/81/18/86/513811886.db2.gz ZVRHGQVMDCADGR-RTWAWAEBSA-N 1 2 351.425 2.783 20 30 FFEDLO N#Cc1ccc(F)c(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1 ZINC000436265638 513811892 /nfs/dbraw/zinc/81/18/92/513811892.db2.gz ZVRHGQVMDCADGR-RTWAWAEBSA-N 1 2 351.425 2.783 20 30 FFEDLO N#Cc1ccc(F)c(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1 ZINC000436265638 513811898 /nfs/dbraw/zinc/81/18/98/513811898.db2.gz ZVRHGQVMDCADGR-RTWAWAEBSA-N 1 2 351.425 2.783 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000431137899 513835660 /nfs/dbraw/zinc/83/56/60/513835660.db2.gz KYUZMGCQMGFANJ-RYUDHWBXSA-N 1 2 355.280 2.703 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCN(c4cccc(O)c4)CC3)o2)c1 ZINC000431603389 513941166 /nfs/dbraw/zinc/94/11/66/513941166.db2.gz IWAGJIFWAABCHV-UHFFFAOYSA-N 1 2 361.405 2.636 20 30 FFEDLO O=C(C[N@H+](CC#Cc1ccc(Cl)cc1)C[C@H]1CCCO1)N1CCCC1 ZINC000426475680 513952614 /nfs/dbraw/zinc/95/26/14/513952614.db2.gz YZGGJWOEBCIULO-LJQANCHMSA-N 1 2 360.885 2.795 20 30 FFEDLO O=C(C[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@H]1CCCO1)N1CCCC1 ZINC000426475680 513952618 /nfs/dbraw/zinc/95/26/18/513952618.db2.gz YZGGJWOEBCIULO-LJQANCHMSA-N 1 2 360.885 2.795 20 30 FFEDLO CCCn1c(SC[C@@H](O)C[N@H+](C)CCC#N)nnc1-c1cccc(C)c1 ZINC000414091354 513971220 /nfs/dbraw/zinc/97/12/20/513971220.db2.gz DIXYJFGERQREEH-KRWDZBQOSA-N 1 2 373.526 2.962 20 30 FFEDLO CCCn1c(SC[C@@H](O)C[N@@H+](C)CCC#N)nnc1-c1cccc(C)c1 ZINC000414091354 513971231 /nfs/dbraw/zinc/97/12/31/513971231.db2.gz DIXYJFGERQREEH-KRWDZBQOSA-N 1 2 373.526 2.962 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000414098965 513974971 /nfs/dbraw/zinc/97/49/71/513974971.db2.gz PZBVWTAYIVKOPA-QGZVFWFLSA-N 1 2 371.510 2.502 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000414098965 513974975 /nfs/dbraw/zinc/97/49/75/513974975.db2.gz PZBVWTAYIVKOPA-QGZVFWFLSA-N 1 2 371.510 2.502 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451877242 514039046 /nfs/dbraw/zinc/03/90/46/514039046.db2.gz HTOJJLFGMZJUOJ-GJZGRUSLSA-N 1 2 374.451 2.534 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451877242 514039055 /nfs/dbraw/zinc/03/90/55/514039055.db2.gz HTOJJLFGMZJUOJ-GJZGRUSLSA-N 1 2 374.451 2.534 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CCOC)Cc1ccc(F)c(Cl)c1 ZINC000451984646 514109603 /nfs/dbraw/zinc/10/96/03/514109603.db2.gz VTRXQZOPLYXYDT-CQSZACIVSA-N 1 2 369.868 2.936 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CCOC)Cc1ccc(F)c(Cl)c1 ZINC000451984646 514109611 /nfs/dbraw/zinc/10/96/11/514109611.db2.gz VTRXQZOPLYXYDT-CQSZACIVSA-N 1 2 369.868 2.936 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C)[NH2+]Cc2ccc(F)cc21 ZINC000420464851 514157644 /nfs/dbraw/zinc/15/76/44/514157644.db2.gz UPMMITQVQXIPTK-CYBMUJFWSA-N 1 2 359.426 2.693 20 30 FFEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cccc(S(C)(=O)=O)c1 ZINC000449327405 514168732 /nfs/dbraw/zinc/16/87/32/514168732.db2.gz DDIONCBMWBLLMJ-UHFFFAOYSA-N 1 2 358.463 2.610 20 30 FFEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cccc(S(C)(=O)=O)c1 ZINC000449327405 514168733 /nfs/dbraw/zinc/16/87/33/514168733.db2.gz DDIONCBMWBLLMJ-UHFFFAOYSA-N 1 2 358.463 2.610 20 30 FFEDLO CCOC(=O)Cn1nc(C)c(C[N@H+](C)Cc2cc(C#N)ccc2F)c1C ZINC000437581554 514188239 /nfs/dbraw/zinc/18/82/39/514188239.db2.gz LPFRFABKMUDGDS-UHFFFAOYSA-N 1 2 358.417 2.706 20 30 FFEDLO CCOC(=O)Cn1nc(C)c(C[N@@H+](C)Cc2cc(C#N)ccc2F)c1C ZINC000437581554 514188243 /nfs/dbraw/zinc/18/82/43/514188243.db2.gz LPFRFABKMUDGDS-UHFFFAOYSA-N 1 2 358.417 2.706 20 30 FFEDLO Cc1cc(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)cc(C)[nH+]1 ZINC000420856510 514336901 /nfs/dbraw/zinc/33/69/01/514336901.db2.gz YHPAURBLWKTEIR-UHFFFAOYSA-N 1 2 363.465 2.992 20 30 FFEDLO C=CCOc1cc(OC)ccc1C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000433110555 514385862 /nfs/dbraw/zinc/38/58/62/514385862.db2.gz PPIHNMJEVDUFQZ-QGZVFWFLSA-N 1 2 370.453 2.502 20 30 FFEDLO O=C1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H]2CCCC[C@@H]2N1 ZINC000438542594 514398804 /nfs/dbraw/zinc/39/88/04/514398804.db2.gz WQOWJAUQZWIUNZ-JKSUJKDBSA-N 1 2 352.356 2.680 20 30 FFEDLO O=C1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H]2CCCC[C@@H]2N1 ZINC000438542594 514398813 /nfs/dbraw/zinc/39/88/13/514398813.db2.gz WQOWJAUQZWIUNZ-JKSUJKDBSA-N 1 2 352.356 2.680 20 30 FFEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000428320826 514448405 /nfs/dbraw/zinc/44/84/05/514448405.db2.gz OIVSWQBLDIGMHW-ZDUSSCGKSA-N 1 2 361.442 2.798 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)CC(C)(C)C#N)c(OC)c1 ZINC000433299840 514449508 /nfs/dbraw/zinc/44/95/08/514449508.db2.gz CFSIMBVAYFHGMB-KRWDZBQOSA-N 1 2 359.470 2.849 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)CC(C)(C)C#N)c(OC)c1 ZINC000433299840 514449516 /nfs/dbraw/zinc/44/95/16/514449516.db2.gz CFSIMBVAYFHGMB-KRWDZBQOSA-N 1 2 359.470 2.849 20 30 FFEDLO Cc1cnc([C@H](C)[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 ZINC000428365056 514456886 /nfs/dbraw/zinc/45/68/86/514456886.db2.gz RUVVHXCJAXTORY-AWEZNQCLSA-N 1 2 364.409 2.788 20 30 FFEDLO C=CCC1(C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)CCCCC1 ZINC000450088499 514494189 /nfs/dbraw/zinc/49/41/89/514494189.db2.gz QBLXMYXFHKBQAL-SFHVURJKSA-N 1 2 361.530 2.668 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000439108240 514494903 /nfs/dbraw/zinc/49/49/03/514494903.db2.gz RTCCYGBLJLGCPU-YCRPNKLZSA-N 1 2 365.477 2.934 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000439108240 514494909 /nfs/dbraw/zinc/49/49/09/514494909.db2.gz RTCCYGBLJLGCPU-YCRPNKLZSA-N 1 2 365.477 2.934 20 30 FFEDLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3cncc(C#N)c3)cc2)c1C ZINC000461212374 514543107 /nfs/dbraw/zinc/54/31/07/514543107.db2.gz PVUNOGPFFBOTPN-UHFFFAOYSA-N 1 2 353.407 2.557 20 30 FFEDLO CC(C)(C)CN1CCC[C@H]([NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1=O ZINC000461358414 514581496 /nfs/dbraw/zinc/58/14/96/514581496.db2.gz FVHUUABDMJFNQY-VQTJNVASSA-N 1 2 368.525 2.906 20 30 FFEDLO CC(C)(C)CN1CCC[C@H]([NH+]2CCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC000461395890 514590885 /nfs/dbraw/zinc/59/08/85/514590885.db2.gz ANOAUKKGYMREIX-FQEVSTJZSA-N 1 2 368.525 2.713 20 30 FFEDLO CC(C)(C)CN1CCC[C@H](N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000461395890 514590891 /nfs/dbraw/zinc/59/08/91/514590891.db2.gz ANOAUKKGYMREIX-FQEVSTJZSA-N 1 2 368.525 2.713 20 30 FFEDLO C=C(C)COCCNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000475471393 514676046 /nfs/dbraw/zinc/67/60/46/514676046.db2.gz NAUMZUYMLAJBEN-UHFFFAOYSA-N 1 2 355.394 2.521 20 30 FFEDLO CN(CC1CCCCC1)C(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000471149039 514772205 /nfs/dbraw/zinc/77/22/05/514772205.db2.gz XKISCICUNUTDMM-NRFANRHFSA-N 1 2 368.525 2.908 20 30 FFEDLO N#CCc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000455938235 514849446 /nfs/dbraw/zinc/84/94/46/514849446.db2.gz FEDSTEABNYYRSR-UHFFFAOYSA-N 1 2 364.449 2.907 20 30 FFEDLO Cc1cc(C#N)cc(NC(=O)N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c1 ZINC000455956426 514864380 /nfs/dbraw/zinc/86/43/80/514864380.db2.gz ORSDBNHNJZIZNF-HXUWFJFHSA-N 1 2 372.469 2.794 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458577862 514920667 /nfs/dbraw/zinc/92/06/67/514920667.db2.gz BXJLPJZMHUZKNI-XOKHGSTOSA-N 1 2 369.868 2.851 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458577862 514920677 /nfs/dbraw/zinc/92/06/77/514920677.db2.gz BXJLPJZMHUZKNI-XOKHGSTOSA-N 1 2 369.868 2.851 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cc1F ZINC000489659189 514929620 /nfs/dbraw/zinc/92/96/20/514929620.db2.gz LAMCEAFZWAFPGG-UHFFFAOYSA-N 1 2 356.382 2.566 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)CC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000458616218 514957894 /nfs/dbraw/zinc/95/78/94/514957894.db2.gz LMGCUJAITBLRTB-JKSUJKDBSA-N 1 2 350.413 2.949 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)NCC(C)(C)CC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000458616218 514957903 /nfs/dbraw/zinc/95/79/03/514957903.db2.gz LMGCUJAITBLRTB-JKSUJKDBSA-N 1 2 350.413 2.949 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3cnc(CC(C)C)s3)CC2)c1C#N ZINC000471795950 515013691 /nfs/dbraw/zinc/01/36/91/515013691.db2.gz BFNAYEKSNXAAJL-UHFFFAOYSA-N 1 2 358.515 2.577 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2OC)C1=O ZINC000467516317 515034336 /nfs/dbraw/zinc/03/43/36/515034336.db2.gz IRFQNFCGLJUNDB-CQSZACIVSA-N 1 2 353.260 2.676 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2OC)C1=O ZINC000467516317 515034346 /nfs/dbraw/zinc/03/43/46/515034346.db2.gz IRFQNFCGLJUNDB-CQSZACIVSA-N 1 2 353.260 2.676 20 30 FFEDLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H](CCCC#N)c2ccccc2)CCO1 ZINC000458828055 515123953 /nfs/dbraw/zinc/12/39/53/515123953.db2.gz DRVRODWDXQTEGL-MOPGFXCFSA-N 1 2 358.486 2.832 20 30 FFEDLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](CCCC#N)c2ccccc2)CCO1 ZINC000458828055 515123963 /nfs/dbraw/zinc/12/39/63/515123963.db2.gz DRVRODWDXQTEGL-MOPGFXCFSA-N 1 2 358.486 2.832 20 30 FFEDLO COc1cc(C#N)cc(OC[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000485753152 515172175 /nfs/dbraw/zinc/17/21/75/515172175.db2.gz LVZWSYQNFWJQIL-MRXNPFEDSA-N 1 2 351.406 2.973 20 30 FFEDLO C=CCN(C(=O)Nc1cc[nH+]c(C)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000504150810 515231310 /nfs/dbraw/zinc/23/13/10/515231310.db2.gz KRHYJPNZESLSJN-OAHLLOKOSA-N 1 2 363.425 2.569 20 30 FFEDLO CC(C)c1cccc(O[C@@H](C)C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000499353563 515297810 /nfs/dbraw/zinc/29/78/10/515297810.db2.gz YRVARUZVQNZHDD-SFHVURJKSA-N 1 2 373.497 2.652 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCC(C)(C)CC#N ZINC000459257786 515428331 /nfs/dbraw/zinc/42/83/31/515428331.db2.gz KOIGOURLECYWJI-GOSISDBHSA-N 1 2 372.513 2.859 20 30 FFEDLO CN(C(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1F)C1(C#N)CCCCC1 ZINC000499949744 515531607 /nfs/dbraw/zinc/53/16/07/515531607.db2.gz PTCVOTKLGCSGNG-HNNXBMFYSA-N 1 2 367.852 2.787 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N[C@H](CCC)c2ccccc2)C1=O ZINC000500004509 515555239 /nfs/dbraw/zinc/55/52/39/515555239.db2.gz BVHGKSDSJRNTJH-QRQLOZEOSA-N 1 2 357.498 2.751 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N[C@H](CCC)c2ccccc2)C1=O ZINC000500004509 515555246 /nfs/dbraw/zinc/55/52/46/515555246.db2.gz BVHGKSDSJRNTJH-QRQLOZEOSA-N 1 2 357.498 2.751 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000454537433 515560535 /nfs/dbraw/zinc/56/05/35/515560535.db2.gz GYOWJVVHTWKDTF-GXTWGEPZSA-N 1 2 359.227 2.589 20 30 FFEDLO N#Cc1ccc2ncc(C[N@@H+]3CCc4c(cnn4-c4ccccc4)C3)n2c1 ZINC000510535329 515573434 /nfs/dbraw/zinc/57/34/34/515573434.db2.gz BTKXHLPDACUHQD-UHFFFAOYSA-N 1 2 354.417 2.950 20 30 FFEDLO N#Cc1ccc2ncc(C[N@H+]3CCc4c(cnn4-c4ccccc4)C3)n2c1 ZINC000510535329 515573440 /nfs/dbraw/zinc/57/34/40/515573440.db2.gz BTKXHLPDACUHQD-UHFFFAOYSA-N 1 2 354.417 2.950 20 30 FFEDLO COC(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)s1 ZINC000459513745 515610086 /nfs/dbraw/zinc/61/00/86/515610086.db2.gz POJBZLPQDPWVKX-UHFFFAOYSA-N 1 2 359.426 2.868 20 30 FFEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCCNc1cccc[nH+]1 ZINC000477848676 515613672 /nfs/dbraw/zinc/61/36/72/515613672.db2.gz IMDPHWFIXVXEDO-UHFFFAOYSA-N 1 2 362.355 2.863 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000469072758 515657486 /nfs/dbraw/zinc/65/74/86/515657486.db2.gz UYZRQKOPAUJQKH-UKRRQHHQSA-N 1 2 364.243 2.694 20 30 FFEDLO CCN(CC)c1ccc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c[nH+]1 ZINC000505782753 515670511 /nfs/dbraw/zinc/67/05/11/515670511.db2.gz OMWWRLIBTLQLDW-FQEVSTJZSA-N 1 2 374.485 2.806 20 30 FFEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@@H]3CC[N@@H+]3Cc3ccccc3)n2)c1 ZINC000493926138 515689871 /nfs/dbraw/zinc/68/98/71/515689871.db2.gz AQFHWOGTNOFSGE-FQEVSTJZSA-N 1 2 371.444 2.839 20 30 FFEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@@H]3CC[N@H+]3Cc3ccccc3)n2)c1 ZINC000493926138 515689880 /nfs/dbraw/zinc/68/98/80/515689880.db2.gz AQFHWOGTNOFSGE-FQEVSTJZSA-N 1 2 371.444 2.839 20 30 FFEDLO CC[N@@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)C[C@@H](C)C#N ZINC000505893357 515715260 /nfs/dbraw/zinc/71/52/60/515715260.db2.gz DXVSQFFQHWGGPN-MGPUTAFESA-N 1 2 359.470 2.753 20 30 FFEDLO CC[N@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)C[C@@H](C)C#N ZINC000505893357 515715266 /nfs/dbraw/zinc/71/52/66/515715266.db2.gz DXVSQFFQHWGGPN-MGPUTAFESA-N 1 2 359.470 2.753 20 30 FFEDLO CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000500458289 515721499 /nfs/dbraw/zinc/72/14/99/515721499.db2.gz SGQCGMMVCHYZDV-MRXNPFEDSA-N 1 2 366.465 2.728 20 30 FFEDLO CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000500458289 515721510 /nfs/dbraw/zinc/72/15/10/515721510.db2.gz SGQCGMMVCHYZDV-MRXNPFEDSA-N 1 2 366.465 2.728 20 30 FFEDLO CC1(C#N)CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000482586743 515729361 /nfs/dbraw/zinc/72/93/61/515729361.db2.gz MNDSIWJHXMJIKW-HNNXBMFYSA-N 1 2 362.271 2.958 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cc(Br)ccc1F ZINC000469591844 515881816 /nfs/dbraw/zinc/88/18/16/515881816.db2.gz YEVIJHDHEXJFID-LLVKDONJSA-N 1 2 368.250 2.971 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cc(Br)ccc1F ZINC000469591844 515881824 /nfs/dbraw/zinc/88/18/24/515881824.db2.gz YEVIJHDHEXJFID-LLVKDONJSA-N 1 2 368.250 2.971 20 30 FFEDLO C=CC[N@H+](Cc1cn(C(C)(C)C)nn1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000483273499 516011579 /nfs/dbraw/zinc/01/15/79/516011579.db2.gz UICMDLSKOZUGMN-HNNXBMFYSA-N 1 2 366.473 2.758 20 30 FFEDLO C=CC[N@@H+](Cc1cn(C(C)(C)C)nn1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000483273499 516011587 /nfs/dbraw/zinc/01/15/87/516011587.db2.gz UICMDLSKOZUGMN-HNNXBMFYSA-N 1 2 366.473 2.758 20 30 FFEDLO C=CCN(C(=O)c1ccc2[nH+]ccn2c1)c1nc(C(=O)OCC)cs1 ZINC000483404422 516072401 /nfs/dbraw/zinc/07/24/01/516072401.db2.gz COKFJLXNAJRTEV-UHFFFAOYSA-N 1 2 356.407 2.800 20 30 FFEDLO COc1ccc(C[NH+]2C[C@@H](C)S(=O)[C@H](C)C2)cc1OCCCC#N ZINC000483430069 516088768 /nfs/dbraw/zinc/08/87/68/516088768.db2.gz UGKMFQDCJIZJNY-HUUCEWRRSA-N 1 2 350.484 2.719 20 30 FFEDLO Cc1cc(C[NH+]2CCN(CC(=O)NC3CCC(C)CC3)CC2)ccc1C#N ZINC000488183372 516149215 /nfs/dbraw/zinc/14/92/15/516149215.db2.gz MTQNLRFSYJAWPX-UHFFFAOYSA-N 1 2 368.525 2.679 20 30 FFEDLO N#CC1(CS(=O)(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCCCC1 ZINC000460473206 516161344 /nfs/dbraw/zinc/16/13/44/516161344.db2.gz SPKDEPHXBKXURZ-UHFFFAOYSA-N 1 2 372.494 2.825 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)Nc1cccc2nsnc21)Cc1ccc(CO)o1 ZINC000512176607 516184672 /nfs/dbraw/zinc/18/46/72/516184672.db2.gz CYDQAVDOPBSBCU-UHFFFAOYSA-N 1 2 372.450 2.793 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)Nc1cccc2nsnc21)Cc1ccc(CO)o1 ZINC000512176607 516184678 /nfs/dbraw/zinc/18/46/78/516184678.db2.gz CYDQAVDOPBSBCU-UHFFFAOYSA-N 1 2 372.450 2.793 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)Cc1ccc(CO)o1 ZINC000512192689 516189489 /nfs/dbraw/zinc/18/94/89/516189489.db2.gz BHZXEFICXDEUPR-UHFFFAOYSA-N 1 2 374.485 2.820 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)Cc1ccc(CO)o1 ZINC000512192689 516189499 /nfs/dbraw/zinc/18/94/99/516189499.db2.gz BHZXEFICXDEUPR-UHFFFAOYSA-N 1 2 374.485 2.820 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000512200080 516194542 /nfs/dbraw/zinc/19/45/42/516194542.db2.gz WKHZBFQBOOCKMX-OAHLLOKOSA-N 1 2 360.429 2.994 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000512200080 516194552 /nfs/dbraw/zinc/19/45/52/516194552.db2.gz WKHZBFQBOOCKMX-OAHLLOKOSA-N 1 2 360.429 2.994 20 30 FFEDLO COCC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000512202504 516195692 /nfs/dbraw/zinc/19/56/92/516195692.db2.gz IKZWMZIJMLYQDF-LJQANCHMSA-N 1 2 372.513 2.837 20 30 FFEDLO CCc1cccc(OC[C@H](O)C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000460596063 516198990 /nfs/dbraw/zinc/19/89/90/516198990.db2.gz IXXPNTVLTZPTJV-GOSISDBHSA-N 1 2 352.434 2.624 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000512230339 516204548 /nfs/dbraw/zinc/20/45/48/516204548.db2.gz VEIFRSOTJDUQQX-QGZVFWFLSA-N 1 2 371.462 2.889 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000512230339 516204558 /nfs/dbraw/zinc/20/45/58/516204558.db2.gz VEIFRSOTJDUQQX-QGZVFWFLSA-N 1 2 371.462 2.889 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1ccc(CO)o1 ZINC000512468133 516287780 /nfs/dbraw/zinc/28/77/80/516287780.db2.gz IDVCVZIREYHCDQ-UHFFFAOYSA-N 1 2 361.467 2.734 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1ccc(CO)o1 ZINC000512468133 516287785 /nfs/dbraw/zinc/28/77/85/516287785.db2.gz IDVCVZIREYHCDQ-UHFFFAOYSA-N 1 2 361.467 2.734 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C#N)o2)[C@@H](C)C1 ZINC000512574954 516307632 /nfs/dbraw/zinc/30/76/32/516307632.db2.gz UVTYXHFJOPDAGM-HNNXBMFYSA-N 1 2 353.422 2.896 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C#N)o2)[C@@H](C)C1 ZINC000512574954 516307634 /nfs/dbraw/zinc/30/76/34/516307634.db2.gz UVTYXHFJOPDAGM-HNNXBMFYSA-N 1 2 353.422 2.896 20 30 FFEDLO CN(CC(C)(C)C#N)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000497431698 516322243 /nfs/dbraw/zinc/32/22/43/516322243.db2.gz UBBIIGRKJABNPM-UHFFFAOYSA-N 1 2 353.426 2.534 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCc4cccc(O)c43)CC2)cc1 ZINC000561044262 516349817 /nfs/dbraw/zinc/34/98/17/516349817.db2.gz VNLUWTMFUPZQIZ-LJQANCHMSA-N 1 2 361.445 2.638 20 30 FFEDLO C=CC[N@@H+](Cc1nc(CC(C)C)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517530725 516354819 /nfs/dbraw/zinc/35/48/19/516354819.db2.gz ZPVKHLAQYFODMH-HNNXBMFYSA-N 1 2 367.457 2.993 20 30 FFEDLO C=CC[N@H+](Cc1nc(CC(C)C)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517530725 516354827 /nfs/dbraw/zinc/35/48/27/516354827.db2.gz ZPVKHLAQYFODMH-HNNXBMFYSA-N 1 2 367.457 2.993 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)C[C@H](c2ccc(F)cc2)O1 ZINC000528387230 516399110 /nfs/dbraw/zinc/39/91/10/516399110.db2.gz FJPZLHPIAIKGMY-QFIXIFRTSA-N 1 2 370.424 2.899 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)C[C@H](c2ccc(F)cc2)O1 ZINC000528387230 516399119 /nfs/dbraw/zinc/39/91/19/516399119.db2.gz FJPZLHPIAIKGMY-QFIXIFRTSA-N 1 2 370.424 2.899 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+]([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528416144 516420567 /nfs/dbraw/zinc/42/05/67/516420567.db2.gz GGSHKEPNPCPJME-NHCUHLMSSA-N 1 2 366.509 2.802 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCOc3ccc(Br)cc3C2)CC1 ZINC000528487612 516473146 /nfs/dbraw/zinc/47/31/46/516473146.db2.gz DTHXJIHVFORXOV-CQSZACIVSA-N 1 2 351.244 2.698 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCOc3ccc(Br)cc3C2)CC1 ZINC000528487612 516473153 /nfs/dbraw/zinc/47/31/53/516473153.db2.gz DTHXJIHVFORXOV-CQSZACIVSA-N 1 2 351.244 2.698 20 30 FFEDLO C=CC[C@H](CO)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540414436 516543882 /nfs/dbraw/zinc/54/38/82/516543882.db2.gz NFLFUTRXCDARPA-VUCTXSBTSA-N 1 2 369.868 2.708 20 30 FFEDLO C=CC[C@H](CO)CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540414436 516543890 /nfs/dbraw/zinc/54/38/90/516543890.db2.gz NFLFUTRXCDARPA-VUCTXSBTSA-N 1 2 369.868 2.708 20 30 FFEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(Cc2ccsc2)CC1 ZINC000536016071 516594233 /nfs/dbraw/zinc/59/42/33/516594233.db2.gz BICPQBJIMCTOGV-UHFFFAOYSA-N 1 2 357.479 2.825 20 30 FFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000554742850 516615615 /nfs/dbraw/zinc/61/56/15/516615615.db2.gz HQVDRCUCEOPJNK-ZDUSSCGKSA-N 1 2 367.902 2.505 20 30 FFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000554742850 516615620 /nfs/dbraw/zinc/61/56/20/516615620.db2.gz HQVDRCUCEOPJNK-ZDUSSCGKSA-N 1 2 367.902 2.505 20 30 FFEDLO Cc1c(C#N)cccc1C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000513829004 516773270 /nfs/dbraw/zinc/77/32/70/516773270.db2.gz UITFCLMWSGJGQP-MRXNPFEDSA-N 1 2 350.422 2.621 20 30 FFEDLO C[C@H]([NH2+][C@@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1ccc(C#N)cc1 ZINC000558735203 516920226 /nfs/dbraw/zinc/92/02/26/516920226.db2.gz SKSVIDTWUJOVSC-KBPBESRZSA-N 1 2 359.437 2.733 20 30 FFEDLO C(#Cc1ccccc1)C[NH+]1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000558839846 516967223 /nfs/dbraw/zinc/96/72/23/516967223.db2.gz FXHDPSJVHGDFRU-UHFFFAOYSA-N 1 2 358.445 2.906 20 30 FFEDLO CCc1cccc(C)c1NC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000544877054 516970963 /nfs/dbraw/zinc/97/09/63/516970963.db2.gz JMEYRZSMWNDJRI-UHFFFAOYSA-N 1 2 363.465 2.585 20 30 FFEDLO C=CCN(Cc1ccccc1)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000537194578 517081057 /nfs/dbraw/zinc/08/10/57/517081057.db2.gz WQPAETKSKDUUHW-UHFFFAOYSA-N 1 2 351.450 2.742 20 30 FFEDLO CC#CC[N@@H+](C)CC(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000555759858 517108982 /nfs/dbraw/zinc/10/89/82/517108982.db2.gz UXMAPSFZWURRBD-UHFFFAOYSA-N 1 2 366.461 2.865 20 30 FFEDLO CC#CC[N@H+](C)CC(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000555759858 517108991 /nfs/dbraw/zinc/10/89/91/517108991.db2.gz UXMAPSFZWURRBD-UHFFFAOYSA-N 1 2 366.461 2.865 20 30 FFEDLO C[C@@](O)(C1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1)C(F)(F)F ZINC000545224956 517116620 /nfs/dbraw/zinc/11/66/20/517116620.db2.gz KTKLOOZQDKOLIG-MRXNPFEDSA-N 1 2 355.360 2.522 20 30 FFEDLO N#CC1CCC(CNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000514908543 517117893 /nfs/dbraw/zinc/11/78/93/517117893.db2.gz QAVFTYOUGYKOIZ-UHFFFAOYSA-N 1 2 358.467 2.540 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](CC(=O)N2CCCCCC2)C(C)C)c1C#N ZINC000552212758 517143187 /nfs/dbraw/zinc/14/31/87/517143187.db2.gz FINBZTBRPJRRFJ-UHFFFAOYSA-N 1 2 371.481 2.958 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](CC(=O)N2CCCCCC2)C(C)C)c1C#N ZINC000552212758 517143192 /nfs/dbraw/zinc/14/31/92/517143192.db2.gz FINBZTBRPJRRFJ-UHFFFAOYSA-N 1 2 371.481 2.958 20 30 FFEDLO C[C@@H](C#N)C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CC1 ZINC000532817968 517156921 /nfs/dbraw/zinc/15/69/21/517156921.db2.gz OLBXZDGHORMGQN-NSHDSACASA-N 1 2 361.243 2.581 20 30 FFEDLO C[C@@H](C#N)C[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CC1 ZINC000532817968 517156930 /nfs/dbraw/zinc/15/69/30/517156930.db2.gz OLBXZDGHORMGQN-NSHDSACASA-N 1 2 361.243 2.581 20 30 FFEDLO Cc1cc(C)c(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)c(C)c1 ZINC000555871397 517161196 /nfs/dbraw/zinc/16/11/96/517161196.db2.gz QFPQIRSFXSMSDN-UHFFFAOYSA-N 1 2 351.450 2.526 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000559420617 517245237 /nfs/dbraw/zinc/24/52/37/517245237.db2.gz UXYVRNLIYCBDLR-OAHLLOKOSA-N 1 2 356.470 2.712 20 30 FFEDLO CC(C)N(CC(F)(F)F)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548865306 517265971 /nfs/dbraw/zinc/26/59/71/517265971.db2.gz XAGWKSQRQLLIBN-UHFFFAOYSA-N 1 2 368.403 2.738 20 30 FFEDLO CC#CC[N@H+](C)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000559465287 517270577 /nfs/dbraw/zinc/27/05/77/517270577.db2.gz LPCDWRUFPXUFKV-HXUWFJFHSA-N 1 2 356.491 2.970 20 30 FFEDLO CC#CC[N@@H+](C)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000559465287 517270589 /nfs/dbraw/zinc/27/05/89/517270589.db2.gz LPCDWRUFPXUFKV-HXUWFJFHSA-N 1 2 356.491 2.970 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)NCC#Cc1cccc(F)c1)C2 ZINC000548892262 517282087 /nfs/dbraw/zinc/28/20/87/517282087.db2.gz BSJSIEBUDPNKLO-QGZVFWFLSA-N 1 2 368.456 2.985 20 30 FFEDLO Cn1c[nH+]cc1CCC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000526003156 517287004 /nfs/dbraw/zinc/28/70/04/517287004.db2.gz RFLCKIJAHAWPJS-UHFFFAOYSA-N 1 2 352.438 2.731 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)CC2(C#N)CCCCC2)CC1(C)C ZINC000556339030 517377602 /nfs/dbraw/zinc/37/76/02/517377602.db2.gz ANCXYGWUXRUVRP-AWEZNQCLSA-N 1 2 350.488 2.607 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000515595510 517416519 /nfs/dbraw/zinc/41/65/19/517416519.db2.gz VCYMIEGSCZDTDP-UHFFFAOYSA-N 1 2 353.447 2.516 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000515595510 517416525 /nfs/dbraw/zinc/41/65/25/517416525.db2.gz VCYMIEGSCZDTDP-UHFFFAOYSA-N 1 2 353.447 2.516 20 30 FFEDLO CN(Cc1ccc(C#N)cc1)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000552927870 517446080 /nfs/dbraw/zinc/44/60/80/517446080.db2.gz IEONSUZOJMDODE-CQSZACIVSA-N 1 2 350.344 2.986 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)NCCCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542239579 517456253 /nfs/dbraw/zinc/45/62/53/517456253.db2.gz AZOHGXIKBUTZKH-GOEBONIOSA-N 1 2 354.376 2.842 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)NCCCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542239579 517456261 /nfs/dbraw/zinc/45/62/61/517456261.db2.gz AZOHGXIKBUTZKH-GOEBONIOSA-N 1 2 354.376 2.842 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH2+]C(C)(C)c2nc(C)no2)cc1 ZINC000556522963 517477118 /nfs/dbraw/zinc/47/71/18/517477118.db2.gz RSERFPSVBCYPCX-UHFFFAOYSA-N 1 2 371.441 2.548 20 30 FFEDLO N#CC1(NC(=O)C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)CCC1 ZINC000527128166 517517435 /nfs/dbraw/zinc/51/74/35/517517435.db2.gz ISAANNFPORETFX-GOSISDBHSA-N 1 2 354.841 2.976 20 30 FFEDLO Cn1cc(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000515984201 517528113 /nfs/dbraw/zinc/52/81/13/517528113.db2.gz BXKZTSHDKLJOEN-VWLOTQADSA-N 1 2 356.495 2.692 20 30 FFEDLO Cn1cc(C[N@H+]2CC[S@](=O)C(C)(C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000515984201 517528120 /nfs/dbraw/zinc/52/81/20/517528120.db2.gz BXKZTSHDKLJOEN-VWLOTQADSA-N 1 2 356.495 2.692 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCCc2c(cnn2C)C1 ZINC000516009818 517537546 /nfs/dbraw/zinc/53/75/46/517537546.db2.gz OUOVLFJDHCNPJG-LBPRGKRZSA-N 1 2 357.845 2.721 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCCc2c(cnn2C)C1 ZINC000516009818 517537555 /nfs/dbraw/zinc/53/75/55/517537555.db2.gz OUOVLFJDHCNPJG-LBPRGKRZSA-N 1 2 357.845 2.721 20 30 FFEDLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccc(C#N)[nH]3)[nH+]c12 ZINC000546116993 517551080 /nfs/dbraw/zinc/55/10/80/517551080.db2.gz LZIVNGZNTPVARQ-UHFFFAOYSA-N 1 2 372.226 2.578 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546212696 517598794 /nfs/dbraw/zinc/59/87/94/517598794.db2.gz DWDAGZUJFNGXNN-AWEZNQCLSA-N 1 2 369.856 2.756 20 30 FFEDLO CC[C@@H](NCc1nc(C#N)cs1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000516217259 517621080 /nfs/dbraw/zinc/62/10/80/517621080.db2.gz FIWUCNMSNQGQTE-QZTJIDSGSA-N 1 2 356.495 2.784 20 30 FFEDLO CC[C@@H](NCc1nc(C#N)cs1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000516217259 517621089 /nfs/dbraw/zinc/62/10/89/517621089.db2.gz FIWUCNMSNQGQTE-QZTJIDSGSA-N 1 2 356.495 2.784 20 30 FFEDLO CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(OC)cc1OC ZINC000521193485 517643916 /nfs/dbraw/zinc/64/39/16/517643916.db2.gz FHZVHFAHGBEREO-UHFFFAOYSA-N 1 2 367.449 2.714 20 30 FFEDLO CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(OC)cc1OC ZINC000521193485 517643926 /nfs/dbraw/zinc/64/39/26/517643926.db2.gz FHZVHFAHGBEREO-UHFFFAOYSA-N 1 2 367.449 2.714 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCC)Cc1ccccc1Br ZINC000521193837 517643963 /nfs/dbraw/zinc/64/39/63/517643963.db2.gz VBXYYTXFYFRGOH-UHFFFAOYSA-N 1 2 368.275 2.673 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@H+](CCC)Cc1ccccc1Br ZINC000521193837 517643973 /nfs/dbraw/zinc/64/39/73/517643973.db2.gz VBXYYTXFYFRGOH-UHFFFAOYSA-N 1 2 368.275 2.673 20 30 FFEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000563219155 517747975 /nfs/dbraw/zinc/74/79/75/517747975.db2.gz ZJVHFZWJLOIDDL-LBPRGKRZSA-N 1 2 356.348 2.782 20 30 FFEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000563219155 517747984 /nfs/dbraw/zinc/74/79/84/517747984.db2.gz ZJVHFZWJLOIDDL-LBPRGKRZSA-N 1 2 356.348 2.782 20 30 FFEDLO N#CC1(CS(=O)(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CCCC1 ZINC000546781943 517855645 /nfs/dbraw/zinc/85/56/45/517855645.db2.gz FOIWBWMJHVBUFK-UHFFFAOYSA-N 1 2 364.515 2.789 20 30 FFEDLO COc1cc2c(cc1C[NH+]1CCN([C@@H](C#N)c3ccccc3)CC1)OCO2 ZINC000546975384 517944123 /nfs/dbraw/zinc/94/41/23/517944123.db2.gz YDMJEOPLPYCKPU-SFHVURJKSA-N 1 2 365.433 2.806 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](NC(=O)Cc1c(F)cccc1C#N)C1CCOCC1 ZINC000557285433 517945967 /nfs/dbraw/zinc/94/59/67/517945967.db2.gz FVGCBBXAPGKCPB-IBGZPJMESA-N 1 2 370.428 2.740 20 30 FFEDLO CC(C)(C)c1csc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)c1C#N ZINC000550301932 517981666 /nfs/dbraw/zinc/98/16/66/517981666.db2.gz NWBSGHKAXLSKIO-UHFFFAOYSA-N 1 2 373.482 2.649 20 30 FFEDLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000534851985 518057219 /nfs/dbraw/zinc/05/72/19/518057219.db2.gz NXSTWWZLBVTSHQ-SFHVURJKSA-N 1 2 368.399 2.674 20 30 FFEDLO CC[C@@]1(C)COCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000534851985 518057228 /nfs/dbraw/zinc/05/72/28/518057228.db2.gz NXSTWWZLBVTSHQ-SFHVURJKSA-N 1 2 368.399 2.674 20 30 FFEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Cc2ccc(C#N)nc2)C[C@@H](C)O1 ZINC000528035131 518057367 /nfs/dbraw/zinc/05/73/67/518057367.db2.gz CCLFXRUXHWGZCP-HZPDHXFCSA-N 1 2 364.449 2.744 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c1C#N ZINC000547335431 518086574 /nfs/dbraw/zinc/08/65/74/518086574.db2.gz AYEKLUZJLMIMSI-HNNXBMFYSA-N 1 2 358.438 2.899 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c1C#N ZINC000547335431 518086576 /nfs/dbraw/zinc/08/65/76/518086576.db2.gz AYEKLUZJLMIMSI-HNNXBMFYSA-N 1 2 358.438 2.899 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000517267458 518098138 /nfs/dbraw/zinc/09/81/38/518098138.db2.gz SNPHKOFLKNPCKS-UHFFFAOYSA-N 1 2 366.387 2.625 20 30 FFEDLO CC(C)(C#N)CC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000539566346 518103232 /nfs/dbraw/zinc/10/32/32/518103232.db2.gz KKVCBHMAIZTORH-UHFFFAOYSA-N 1 2 355.891 2.586 20 30 FFEDLO COc1cc(C#N)ccc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000547416241 518128754 /nfs/dbraw/zinc/12/87/54/518128754.db2.gz LDIBJKBQPNVSGK-UHFFFAOYSA-N 1 2 351.410 2.752 20 30 FFEDLO Cc1cc(N2CCC(Cc3nc(C4CCOCC4)no3)CC2)c(C#N)c[nH+]1 ZINC000528188228 518139648 /nfs/dbraw/zinc/13/96/48/518139648.db2.gz VYPRAAHZWCISSJ-UHFFFAOYSA-N 1 2 367.453 2.998 20 30 FFEDLO CCC(C#N)(CC)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000528267371 518159479 /nfs/dbraw/zinc/15/94/79/518159479.db2.gz NKQLNJFBLVLUJZ-UHFFFAOYSA-N 1 2 373.888 2.962 20 30 FFEDLO N#Cc1cccc(CCNc2cc(NCCc3cccc(C#N)c3)[nH+]cn2)c1 ZINC000578462699 518222236 /nfs/dbraw/zinc/22/22/36/518222236.db2.gz AIZQUDRXSKEXBB-UHFFFAOYSA-N 1 2 368.444 2.951 20 30 FFEDLO N#CCc1ccc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000581366625 518251160 /nfs/dbraw/zinc/25/11/60/518251160.db2.gz NILVTWQZAWQBHT-UHFFFAOYSA-N 1 2 373.460 2.652 20 30 FFEDLO CC(C)(CCC#N)CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000572590336 518263506 /nfs/dbraw/zinc/26/35/06/518263506.db2.gz TXZDHGCDFLVVEF-UHFFFAOYSA-N 1 2 367.453 2.972 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1(C)C ZINC000584332692 518286582 /nfs/dbraw/zinc/28/65/82/518286582.db2.gz GKIVFOPIUYGABW-AWEZNQCLSA-N 1 2 364.858 2.717 20 30 FFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)S(=O)(=O)CCC(C)(C)C#N ZINC000564344329 518408545 /nfs/dbraw/zinc/40/85/45/518408545.db2.gz YCGFYPDBZNOSCE-UHFFFAOYSA-N 1 2 360.483 2.633 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(O)ccc3Cl)CC2)cc1 ZINC000578938943 518443802 /nfs/dbraw/zinc/44/38/02/518443802.db2.gz QGMZJMWPUPNSAC-UHFFFAOYSA-N 1 2 355.825 2.875 20 30 FFEDLO COc1cc(CNC(=O)NCCn2c(C)[nH+]c3ccccc32)ccc1C#N ZINC000564568326 518507040 /nfs/dbraw/zinc/50/70/40/518507040.db2.gz PAXLTDYMLFOBKJ-UHFFFAOYSA-N 1 2 363.421 2.724 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@@H](n4cc(Cl)cn4)C3)o2)c1 ZINC000584868037 518515547 /nfs/dbraw/zinc/51/55/47/518515547.db2.gz QBUKFCQYCAWPET-OAHLLOKOSA-N 1 2 354.801 2.905 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@@H](n4cc(Cl)cn4)C3)o2)c1 ZINC000584868037 518515557 /nfs/dbraw/zinc/51/55/57/518515557.db2.gz QBUKFCQYCAWPET-OAHLLOKOSA-N 1 2 354.801 2.905 20 30 FFEDLO N#CCCC1CCN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000579231314 518584702 /nfs/dbraw/zinc/58/47/02/518584702.db2.gz ZLGLPIDUCNTLJP-HXUWFJFHSA-N 1 2 370.497 2.785 20 30 FFEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000564734526 518589172 /nfs/dbraw/zinc/58/91/72/518589172.db2.gz FSEWYUPCCYKJRJ-PWSUYJOCSA-N 1 2 371.222 2.900 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(OC(F)(F)F)cc1 ZINC000579320979 518622679 /nfs/dbraw/zinc/62/26/79/518622679.db2.gz FWOMNOKPKYUPQT-OCCSQVGLSA-N 1 2 364.327 2.725 20 30 FFEDLO CC1(C(=O)NCc2c[nH+]c[nH]2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000587571103 518680965 /nfs/dbraw/zinc/68/09/65/518680965.db2.gz IHCCFXDWCUCOOX-UHFFFAOYSA-N 1 2 357.845 2.858 20 30 FFEDLO CC1(C(=O)NCc2c[nH]c[nH+]2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000587571103 518680971 /nfs/dbraw/zinc/68/09/71/518680971.db2.gz IHCCFXDWCUCOOX-UHFFFAOYSA-N 1 2 357.845 2.858 20 30 FFEDLO N#CCCCCCC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000588148828 518737375 /nfs/dbraw/zinc/73/73/75/518737375.db2.gz ZAEOXWWOTOMOAE-UHFFFAOYSA-N 1 2 356.470 2.680 20 30 FFEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000565174936 518824698 /nfs/dbraw/zinc/82/46/98/518824698.db2.gz YLXPWEUTABFJLI-LLVKDONJSA-N 1 2 356.348 2.884 20 30 FFEDLO CC(C)N(C)c1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)cn1 ZINC000573780636 518831355 /nfs/dbraw/zinc/83/13/55/518831355.db2.gz URIKGKHEPKPJHW-UHFFFAOYSA-N 1 2 350.470 2.515 20 30 FFEDLO N#Cc1ccc(CS(=O)(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000588897525 518862165 /nfs/dbraw/zinc/86/21/65/518862165.db2.gz XIWOSKPXEWDTOP-UHFFFAOYSA-N 1 2 372.494 2.777 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCN(c2ccccc2Cl)CC1)C1CC1 ZINC000589164138 518935655 /nfs/dbraw/zinc/93/56/55/518935655.db2.gz GNGGVQLFWQTUDY-LJQANCHMSA-N 1 2 360.889 2.661 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCN(c2ccccc2Cl)CC1)C1CC1 ZINC000589164138 518935656 /nfs/dbraw/zinc/93/56/56/518935656.db2.gz GNGGVQLFWQTUDY-LJQANCHMSA-N 1 2 360.889 2.661 20 30 FFEDLO Cn1c2ccc(CNS(=O)(=O)CC3(C#N)CCC3)cc2[nH+]c1C1CC1 ZINC000577148856 518936972 /nfs/dbraw/zinc/93/69/72/518936972.db2.gz ZSDLKVVOQYDQTP-UHFFFAOYSA-N 1 2 358.467 2.564 20 30 FFEDLO N#Cc1cc(O)cc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000589189665 518946324 /nfs/dbraw/zinc/94/63/24/518946324.db2.gz CMCQAXHXSSNZAN-UHFFFAOYSA-N 1 2 355.825 2.875 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(Br)cc2cccnc21 ZINC000577180807 518952590 /nfs/dbraw/zinc/95/25/90/518952590.db2.gz JBXUKLYLYNYVQL-MRXNPFEDSA-N 1 2 361.243 2.571 20 30 FFEDLO N#Cc1cnn2cc(CN3CC[NH+](Cc4cccc(Cl)c4)CC3)cnc12 ZINC000565539969 519008407 /nfs/dbraw/zinc/00/84/07/519008407.db2.gz SHXGGRINTINZQV-UHFFFAOYSA-N 1 2 366.856 2.572 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccn(-c4cccc(F)c4)n3)C2)nc1 ZINC000590005458 519124863 /nfs/dbraw/zinc/12/48/63/519124863.db2.gz DNMSGHBKNKJBCJ-IBGZPJMESA-N 1 2 363.396 2.931 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccn(-c4cccc(F)c4)n3)C2)nc1 ZINC000590005458 519124872 /nfs/dbraw/zinc/12/48/72/519124872.db2.gz DNMSGHBKNKJBCJ-IBGZPJMESA-N 1 2 363.396 2.931 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000590053287 519137930 /nfs/dbraw/zinc/13/79/30/519137930.db2.gz PZYFIMSXFYTWKE-UHFFFAOYSA-N 1 2 362.462 2.794 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000574447887 519160406 /nfs/dbraw/zinc/16/04/06/519160406.db2.gz LVDHYYCWDHJXML-BHYGNILZSA-N 1 2 358.417 2.539 20 30 FFEDLO N#CCCC1CC[NH+]([C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000571674839 519215042 /nfs/dbraw/zinc/21/50/42/519215042.db2.gz DWKMGPFMQUCNGW-OAHLLOKOSA-N 1 2 350.260 2.991 20 30 FFEDLO C[N@@H+]1CCO[C@@H]([C@H](NCc2nc(C#N)cs2)c2ccc(Cl)cc2)C1 ZINC000571770649 519267851 /nfs/dbraw/zinc/26/78/51/519267851.db2.gz PGTPOOYBWQLAMF-NVXWUHKLSA-N 1 2 362.886 2.830 20 30 FFEDLO C[N@H+]1CCO[C@@H]([C@H](NCc2nc(C#N)cs2)c2ccc(Cl)cc2)C1 ZINC000571770649 519267856 /nfs/dbraw/zinc/26/78/56/519267856.db2.gz PGTPOOYBWQLAMF-NVXWUHKLSA-N 1 2 362.886 2.830 20 30 FFEDLO Cc1cc(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)ccc1C#N ZINC000574696621 519284886 /nfs/dbraw/zinc/28/48/86/519284886.db2.gz QHLYWUOMAQTPIN-UHFFFAOYSA-N 1 2 363.461 2.956 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000577846777 519287902 /nfs/dbraw/zinc/28/79/02/519287902.db2.gz ZTQHSKDDIDYKIZ-IAGOWNOFSA-N 1 2 371.481 2.974 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000577846777 519287905 /nfs/dbraw/zinc/28/79/05/519287905.db2.gz ZTQHSKDDIDYKIZ-IAGOWNOFSA-N 1 2 371.481 2.974 20 30 FFEDLO CC1(C)C[N@H+](CCNC(=O)c2c(Cl)cc(C#N)cc2Cl)CCO1 ZINC000590628235 519295283 /nfs/dbraw/zinc/29/52/83/519295283.db2.gz ZZHVUYVMXYKHEW-UHFFFAOYSA-N 1 2 356.253 2.706 20 30 FFEDLO CC1(C)C[N@@H+](CCNC(=O)c2c(Cl)cc(C#N)cc2Cl)CCO1 ZINC000590628235 519295292 /nfs/dbraw/zinc/29/52/92/519295292.db2.gz ZZHVUYVMXYKHEW-UHFFFAOYSA-N 1 2 356.253 2.706 20 30 FFEDLO COCCN(C(C)=O)c1nc(C[NH+]2CCC(CCC#N)CC2)cs1 ZINC000575056740 519476531 /nfs/dbraw/zinc/47/65/31/519476531.db2.gz PWMPYLSWCHQNDU-UHFFFAOYSA-N 1 2 350.488 2.658 20 30 FFEDLO Cc1ccccc1C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000569341749 519501575 /nfs/dbraw/zinc/50/15/75/519501575.db2.gz PJHUSZFPUPOGHB-UHFFFAOYSA-N 1 2 355.463 2.700 20 30 FFEDLO Cc1ccccc1C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000569341749 519501582 /nfs/dbraw/zinc/50/15/82/519501582.db2.gz PJHUSZFPUPOGHB-UHFFFAOYSA-N 1 2 355.463 2.700 20 30 FFEDLO CC1(C)C[N@H+](CCNc2cc(Br)c(C#N)cc2F)CCO1 ZINC000583964931 519520954 /nfs/dbraw/zinc/52/09/54/519520954.db2.gz KAFLVCZXMPYXJG-UHFFFAOYSA-N 1 2 356.239 2.983 20 30 FFEDLO CC1(C)C[N@@H+](CCNc2cc(Br)c(C#N)cc2F)CCO1 ZINC000583964931 519520965 /nfs/dbraw/zinc/52/09/65/519520965.db2.gz KAFLVCZXMPYXJG-UHFFFAOYSA-N 1 2 356.239 2.983 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cc(F)c(Cl)cc1Br ZINC000591241754 519559093 /nfs/dbraw/zinc/55/90/93/519559093.db2.gz HMIGIAFAPCJBJC-SECBINFHSA-N 1 2 365.630 2.827 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cc(F)c(Cl)cc1Br ZINC000591241754 519559099 /nfs/dbraw/zinc/55/90/99/519559099.db2.gz HMIGIAFAPCJBJC-SECBINFHSA-N 1 2 365.630 2.827 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000572410237 519600819 /nfs/dbraw/zinc/60/08/19/519600819.db2.gz TZICOAIHRMGWRN-HXUWFJFHSA-N 1 2 365.437 2.904 20 30 FFEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC000591458168 519628852 /nfs/dbraw/zinc/62/88/52/519628852.db2.gz CJXQTAYKKCUUMY-ZDUSSCGKSA-N 1 2 350.451 2.841 20 30 FFEDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C[C@H](C)N1CC#N ZINC000602851225 519923226 /nfs/dbraw/zinc/92/32/26/519923226.db2.gz VCEGLCWKVXIJBL-AHIWAGSCSA-N 1 2 364.852 2.503 20 30 FFEDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C[C@H](C)N1CC#N ZINC000602851225 519923236 /nfs/dbraw/zinc/92/32/36/519923236.db2.gz VCEGLCWKVXIJBL-AHIWAGSCSA-N 1 2 364.852 2.503 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(C(=O)CC3(C#N)CCOCC3)CC2)s1 ZINC000597276012 519924348 /nfs/dbraw/zinc/92/43/48/519924348.db2.gz AUHKTBWEZSXLCU-UHFFFAOYSA-N 1 2 361.511 2.665 20 30 FFEDLO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856935 519928494 /nfs/dbraw/zinc/92/84/94/519928494.db2.gz MXCDSRMVJLGGMB-OTWHNJEPSA-N 1 2 368.525 2.732 20 30 FFEDLO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856935 519928502 /nfs/dbraw/zinc/92/85/02/519928502.db2.gz MXCDSRMVJLGGMB-OTWHNJEPSA-N 1 2 368.525 2.732 20 30 FFEDLO C[C@H]1C[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H](C)N1CC#N ZINC000602857244 519929546 /nfs/dbraw/zinc/92/95/46/519929546.db2.gz PUFAVUSHNUTGGP-HOTGVXAUSA-N 1 2 373.888 2.505 20 30 FFEDLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602863149 519936334 /nfs/dbraw/zinc/93/63/34/519936334.db2.gz OWNHQLMLYVCBOB-BBWFWOEESA-N 1 2 368.481 2.870 20 30 FFEDLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602863149 519936343 /nfs/dbraw/zinc/93/63/43/519936343.db2.gz OWNHQLMLYVCBOB-BBWFWOEESA-N 1 2 368.481 2.870 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1ccns1 ZINC000602883549 519948439 /nfs/dbraw/zinc/94/84/39/519948439.db2.gz NXLMAZPKXFZEMG-AWEZNQCLSA-N 1 2 358.467 2.919 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1ccns1 ZINC000602883549 519948449 /nfs/dbraw/zinc/94/84/49/519948449.db2.gz NXLMAZPKXFZEMG-AWEZNQCLSA-N 1 2 358.467 2.919 20 30 FFEDLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602975727 520001662 /nfs/dbraw/zinc/00/16/62/520001662.db2.gz GLKKTGYUXORLEO-SNRMKQJTSA-N 1 2 371.481 2.991 20 30 FFEDLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602975727 520001665 /nfs/dbraw/zinc/00/16/65/520001665.db2.gz GLKKTGYUXORLEO-SNRMKQJTSA-N 1 2 371.481 2.991 20 30 FFEDLO N#Cc1cc(F)cc(NC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)c1 ZINC000603069627 520063642 /nfs/dbraw/zinc/06/36/42/520063642.db2.gz DGAGNYKAZRKJGB-UHFFFAOYSA-N 1 2 372.400 2.657 20 30 FFEDLO COc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H](CC#N)C3)C2=O)cc1Cl ZINC000594659821 520071293 /nfs/dbraw/zinc/07/12/93/520071293.db2.gz IFGLKHNLJHYTDY-WFASDCNBSA-N 1 2 361.829 2.606 20 30 FFEDLO COc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@@H](CC#N)C3)C2=O)cc1Cl ZINC000594659821 520071299 /nfs/dbraw/zinc/07/12/99/520071299.db2.gz IFGLKHNLJHYTDY-WFASDCNBSA-N 1 2 361.829 2.606 20 30 FFEDLO N#Cc1cc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccn1 ZINC000603128718 520095216 /nfs/dbraw/zinc/09/52/16/520095216.db2.gz ZDVFDGJEHAPQPZ-AWEZNQCLSA-N 1 2 350.426 2.898 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000594766554 520144532 /nfs/dbraw/zinc/14/45/32/520144532.db2.gz NDPLUWYNCAUYLU-UHFFFAOYSA-N 1 2 363.508 2.796 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000594766554 520144538 /nfs/dbraw/zinc/14/45/38/520144538.db2.gz NDPLUWYNCAUYLU-UHFFFAOYSA-N 1 2 363.508 2.796 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000594773090 520149370 /nfs/dbraw/zinc/14/93/70/520149370.db2.gz RTIYINZWXWTLBS-UHFFFAOYSA-N 1 2 361.492 2.622 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000594773090 520149378 /nfs/dbraw/zinc/14/93/78/520149378.db2.gz RTIYINZWXWTLBS-UHFFFAOYSA-N 1 2 361.492 2.622 20 30 FFEDLO COc1ccc(C#N)cc1NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000609047250 520182822 /nfs/dbraw/zinc/18/28/22/520182822.db2.gz VXZXDEBNYDESID-UHFFFAOYSA-N 1 2 353.304 2.647 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131316 520199555 /nfs/dbraw/zinc/19/95/55/520199555.db2.gz MVKLELWXXKMJBX-KRWDZBQOSA-N 1 2 368.437 2.786 20 30 FFEDLO N#Cc1c(NC(=O)C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)sc2c1CCCCC2 ZINC000592140327 520214582 /nfs/dbraw/zinc/21/45/82/520214582.db2.gz FCNUTIUKFSSZSI-CJNGLKHVSA-N 1 2 359.495 2.938 20 30 FFEDLO N#Cc1c(NC(=O)C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)sc2c1CCCCC2 ZINC000592140327 520214590 /nfs/dbraw/zinc/21/45/90/520214590.db2.gz FCNUTIUKFSSZSI-CJNGLKHVSA-N 1 2 359.495 2.938 20 30 FFEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000603326201 520216423 /nfs/dbraw/zinc/21/64/23/520216423.db2.gz AAGAIHZITCJABD-LJQANCHMSA-N 1 2 367.474 2.512 20 30 FFEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000603326201 520216433 /nfs/dbraw/zinc/21/64/33/520216433.db2.gz AAGAIHZITCJABD-LJQANCHMSA-N 1 2 367.474 2.512 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000592146840 520223755 /nfs/dbraw/zinc/22/37/55/520223755.db2.gz KWBILSXOJXJFGP-AZUAARDMSA-N 1 2 353.397 2.856 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000592146840 520223759 /nfs/dbraw/zinc/22/37/59/520223759.db2.gz KWBILSXOJXJFGP-AZUAARDMSA-N 1 2 353.397 2.856 20 30 FFEDLO C[C@H](NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccc(Cl)cc1Cl ZINC000592149881 520225534 /nfs/dbraw/zinc/22/55/34/520225534.db2.gz YUXZMRSPHWFQAN-MEDUHNTESA-N 1 2 356.253 2.521 20 30 FFEDLO C[C@H](NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1ccc(Cl)cc1Cl ZINC000592149881 520225537 /nfs/dbraw/zinc/22/55/37/520225537.db2.gz YUXZMRSPHWFQAN-MEDUHNTESA-N 1 2 356.253 2.521 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000592149468 520225808 /nfs/dbraw/zinc/22/58/08/520225808.db2.gz PNQNSXWJLJDWIP-FQEVSTJZSA-N 1 2 351.406 2.768 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000592149468 520225820 /nfs/dbraw/zinc/22/58/20/520225820.db2.gz PNQNSXWJLJDWIP-FQEVSTJZSA-N 1 2 351.406 2.768 20 30 FFEDLO N#CC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000595081018 520284074 /nfs/dbraw/zinc/28/40/74/520284074.db2.gz DLIZQSHVOOREIP-OAHLLOKOSA-N 1 2 364.405 2.965 20 30 FFEDLO N#CC[C@@H]1CCCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000597911190 520318428 /nfs/dbraw/zinc/31/84/28/520318428.db2.gz HRUXSHCTOQPHEM-INIZCTEOSA-N 1 2 365.437 2.678 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000609485676 520327783 /nfs/dbraw/zinc/32/77/83/520327783.db2.gz UZWOZEVUBKQXBT-CRAIPNDOSA-N 1 2 362.905 2.683 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000609485672 520328164 /nfs/dbraw/zinc/32/81/64/520328164.db2.gz UYYSZROODJLEJE-YKOJYSHRSA-N 1 2 372.557 2.626 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000609485992 520328301 /nfs/dbraw/zinc/32/83/01/520328301.db2.gz BJNPAASLFQQUCA-CRAIPNDOSA-N 1 2 362.905 2.510 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N(C2CC2)C2CCC(C)CC2)CC1 ZINC000609486808 520330665 /nfs/dbraw/zinc/33/06/65/520330665.db2.gz SBIUHSZMSMFUIC-AFMYVXGZSA-N 1 2 360.546 2.722 20 30 FFEDLO Cc1ccc(CN(C(=O)C[NH+]2CCN([C@H](C#N)C(C)C)CC2)C2CC2)cc1 ZINC000609539166 520349825 /nfs/dbraw/zinc/34/98/25/520349825.db2.gz USPDTKUSRWDUNC-OAQYLSRUSA-N 1 2 368.525 2.652 20 30 FFEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1C[C@@H]1CNc2c(C#N)cnn2C1 ZINC000592500974 520423301 /nfs/dbraw/zinc/42/33/01/520423301.db2.gz FBFSAFPKWKDTQM-GLJUWKHASA-N 1 2 371.872 2.912 20 30 FFEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1C[C@@H]1CNc2c(C#N)cnn2C1 ZINC000592500974 520423308 /nfs/dbraw/zinc/42/33/08/520423308.db2.gz FBFSAFPKWKDTQM-GLJUWKHASA-N 1 2 371.872 2.912 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cc(-c3ccccc3)oc2C)c1C#N ZINC000600815432 520484191 /nfs/dbraw/zinc/48/41/91/520484191.db2.gz TWKNGTMECRLIDE-UHFFFAOYSA-N 1 2 363.421 2.676 20 30 FFEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000609988169 520497256 /nfs/dbraw/zinc/49/72/56/520497256.db2.gz AUJYEABHXMWJJS-INIZCTEOSA-N 1 2 364.449 2.752 20 30 FFEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000609988169 520497262 /nfs/dbraw/zinc/49/72/62/520497262.db2.gz AUJYEABHXMWJJS-INIZCTEOSA-N 1 2 364.449 2.752 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCCN(c3cccc(F)c3F)CC2)cc1 ZINC000595503792 520514033 /nfs/dbraw/zinc/51/40/33/520514033.db2.gz BYEAAOHYLHPCGM-LJQANCHMSA-N 1 2 370.403 2.575 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCCN(c3cccc(F)c3F)CC2)cc1 ZINC000595503792 520514037 /nfs/dbraw/zinc/51/40/37/520514037.db2.gz BYEAAOHYLHPCGM-LJQANCHMSA-N 1 2 370.403 2.575 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)CNc1ccc(C#N)cc1)c1ccccc1F ZINC000604446898 520565272 /nfs/dbraw/zinc/56/52/72/520565272.db2.gz HXPDUJWKFMDMQR-LJQANCHMSA-N 1 2 363.396 2.749 20 30 FFEDLO C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595620031 520599902 /nfs/dbraw/zinc/59/99/02/520599902.db2.gz JVCFSXOEXMUAIM-VXGBXAGGSA-N 1 2 351.353 2.961 20 30 FFEDLO C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595620031 520599909 /nfs/dbraw/zinc/59/99/09/520599909.db2.gz JVCFSXOEXMUAIM-VXGBXAGGSA-N 1 2 351.353 2.961 20 30 FFEDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595629899 520606038 /nfs/dbraw/zinc/60/60/38/520606038.db2.gz PSCUGFZNYIRJRE-UHFFFAOYSA-N 1 2 358.423 2.859 20 30 FFEDLO N#Cc1sccc1N1CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000595633088 520609450 /nfs/dbraw/zinc/60/94/50/520609450.db2.gz LPEPQQBIDWHCMQ-IRXDYDNUSA-N 1 2 372.538 2.923 20 30 FFEDLO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633636 520611231 /nfs/dbraw/zinc/61/12/31/520611231.db2.gz RCCLFBHYRYRUAB-HOTGVXAUSA-N 1 2 360.527 2.921 20 30 FFEDLO Cc1cccn2cc(CCNC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)[nH+]c12 ZINC000610434908 520682894 /nfs/dbraw/zinc/68/28/94/520682894.db2.gz PVSYAJSJXBZRCP-FQEVSTJZSA-N 1 2 373.460 2.842 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H](C)[C@H]1O ZINC000595742850 520691958 /nfs/dbraw/zinc/69/19/58/520691958.db2.gz JHFZNIQOSVUVCO-MCBXIFIFSA-N 1 2 361.511 2.776 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H](C)[C@H]1O ZINC000595742850 520691968 /nfs/dbraw/zinc/69/19/68/520691968.db2.gz JHFZNIQOSVUVCO-MCBXIFIFSA-N 1 2 361.511 2.776 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCN1S(C)(=O)=O ZINC000595757898 520702135 /nfs/dbraw/zinc/70/21/35/520702135.db2.gz CMGMVYUINUQVBQ-MRXNPFEDSA-N 1 2 369.490 2.691 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCN1S(C)(=O)=O ZINC000595757898 520702144 /nfs/dbraw/zinc/70/21/44/520702144.db2.gz CMGMVYUINUQVBQ-MRXNPFEDSA-N 1 2 369.490 2.691 20 30 FFEDLO COc1ccc2c(c1)CC[N@H+]([C@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000595759693 520703129 /nfs/dbraw/zinc/70/31/29/520703129.db2.gz NEMUNOIRNMYETE-KRWDZBQOSA-N 1 2 353.447 2.792 20 30 FFEDLO COc1ccc2c(c1)CC[N@@H+]([C@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000595759693 520703137 /nfs/dbraw/zinc/70/31/37/520703137.db2.gz NEMUNOIRNMYETE-KRWDZBQOSA-N 1 2 353.447 2.792 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000610484847 520710476 /nfs/dbraw/zinc/71/04/76/520710476.db2.gz LBRKJMGQWXZFLW-IBGZPJMESA-N 1 2 356.447 2.875 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000610484847 520710482 /nfs/dbraw/zinc/71/04/82/520710482.db2.gz LBRKJMGQWXZFLW-IBGZPJMESA-N 1 2 356.447 2.875 20 30 FFEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000598598701 520734072 /nfs/dbraw/zinc/73/40/72/520734072.db2.gz IXTVWCABESHDAW-HOCLYGCPSA-N 1 2 354.397 2.962 20 30 FFEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000598598701 520734075 /nfs/dbraw/zinc/73/40/75/520734075.db2.gz IXTVWCABESHDAW-HOCLYGCPSA-N 1 2 354.397 2.962 20 30 FFEDLO C[C@H]1CN(S(=O)(=O)c2ccccc2CC#N)c2cc(F)ccc2C[NH2+]1 ZINC000601341286 520748586 /nfs/dbraw/zinc/74/85/86/520748586.db2.gz ADMWBAKIBKLEQS-ZDUSSCGKSA-N 1 2 359.426 2.579 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000610581181 520751460 /nfs/dbraw/zinc/75/14/60/520751460.db2.gz JQPAPUBFTBOSMQ-SVFBPWRDSA-N 1 2 361.445 2.841 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000610581181 520751463 /nfs/dbraw/zinc/75/14/63/520751463.db2.gz JQPAPUBFTBOSMQ-SVFBPWRDSA-N 1 2 361.445 2.841 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000593153377 520785348 /nfs/dbraw/zinc/78/53/48/520785348.db2.gz MUWHTFYTBJZFGA-LZWOXQAQSA-N 1 2 350.260 2.513 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H](CC(F)(F)F)O1 ZINC000595888712 520795111 /nfs/dbraw/zinc/79/51/11/520795111.db2.gz FQNIBDJHDHZSGD-UNEWFSDZSA-N 1 2 372.387 2.534 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H](CC(F)(F)F)O1 ZINC000595888712 520795115 /nfs/dbraw/zinc/79/51/15/520795115.db2.gz FQNIBDJHDHZSGD-UNEWFSDZSA-N 1 2 372.387 2.534 20 30 FFEDLO CCOc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)nn1 ZINC000595892993 520799389 /nfs/dbraw/zinc/79/93/89/520799389.db2.gz SYJHKVHAIGSAGN-UHFFFAOYSA-N 1 2 357.845 2.723 20 30 FFEDLO C[C@@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)[NH+]1CCSCC1 ZINC000611012002 520946726 /nfs/dbraw/zinc/94/67/26/520946726.db2.gz AQUFNBKKBMJENE-SMDDNHRTSA-N 1 2 357.401 2.824 20 30 FFEDLO CO[C@@H]1CN(c2cc(C)[nH+]c(N3CC[C@H](C)[C@H](OC)C3)c2C#N)CC[C@@H]1C ZINC000596202789 520967078 /nfs/dbraw/zinc/96/70/78/520967078.db2.gz ISMOCHXPMFJCMS-IQGAEYHTSA-N 1 2 372.513 2.984 20 30 FFEDLO N#CCCN1CC[NH+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000611176013 521025172 /nfs/dbraw/zinc/02/51/72/521025172.db2.gz ROXRQJZUXBWGOC-NRFANRHFSA-N 1 2 372.488 2.704 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601971589 521048046 /nfs/dbraw/zinc/04/80/46/521048046.db2.gz CXJKGNBONYYVPY-GDBMZVCRSA-N 1 2 351.397 2.678 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601971589 521048051 /nfs/dbraw/zinc/04/80/51/521048051.db2.gz CXJKGNBONYYVPY-GDBMZVCRSA-N 1 2 351.397 2.678 20 30 FFEDLO N#Cc1sccc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000593525248 521049460 /nfs/dbraw/zinc/04/94/60/521049460.db2.gz NMRLYXGWJNSLIV-ZDUSSCGKSA-N 1 2 365.480 2.718 20 30 FFEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3nc4cc(F)ccc4o3)C2=O)cc1 ZINC000602018212 521081104 /nfs/dbraw/zinc/08/11/04/521081104.db2.gz XFFSOFRTIRIVSA-MRXNPFEDSA-N 1 2 364.380 2.729 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000593568038 521081956 /nfs/dbraw/zinc/08/19/56/521081956.db2.gz SXPUXYRYGAVHJE-LJQANCHMSA-N 1 2 369.490 2.953 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000593568038 521081963 /nfs/dbraw/zinc/08/19/63/521081963.db2.gz SXPUXYRYGAVHJE-LJQANCHMSA-N 1 2 369.490 2.953 20 30 FFEDLO C[N@@H+](Cc1nc2c(s1)CCCC2)C[C@@H](O)COc1ccccc1C#N ZINC000599308645 521141880 /nfs/dbraw/zinc/14/18/80/521141880.db2.gz VUBBBJRLWJTADT-OAHLLOKOSA-N 1 2 357.479 2.765 20 30 FFEDLO C[N@H+](Cc1nc2c(s1)CCCC2)C[C@@H](O)COc1ccccc1C#N ZINC000599308645 521141886 /nfs/dbraw/zinc/14/18/86/521141886.db2.gz VUBBBJRLWJTADT-OAHLLOKOSA-N 1 2 357.479 2.765 20 30 FFEDLO N#Cc1c(F)cc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1F ZINC000602149890 521175067 /nfs/dbraw/zinc/17/50/67/521175067.db2.gz WZIVQQRMTDHTRC-ZDUSSCGKSA-N 1 2 358.270 2.843 20 30 FFEDLO Cc1ccnc(NC(=O)C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000611518310 521197945 /nfs/dbraw/zinc/19/79/45/521197945.db2.gz HYQRJNGLAJVMCO-UHFFFAOYSA-N 1 2 374.448 2.733 20 30 FFEDLO Cc1ccnc(NC(=O)C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000611518310 521197953 /nfs/dbraw/zinc/19/79/53/521197953.db2.gz HYQRJNGLAJVMCO-UHFFFAOYSA-N 1 2 374.448 2.733 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCc3[nH+]c[nH]c3C2)c1C#N ZINC000599424968 521213136 /nfs/dbraw/zinc/21/31/36/521213136.db2.gz YPOAKSDJKBJOAE-UHFFFAOYSA-N 1 2 366.469 2.812 20 30 FFEDLO COc1cc(OC)cc([C@@H](NC(=O)CCCCC#N)c2[nH+]ccn2C)c1 ZINC000593953204 521311910 /nfs/dbraw/zinc/31/19/10/521311910.db2.gz ZZBOEJXHUZGWEE-GOSISDBHSA-N 1 2 356.426 2.727 20 30 FFEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599588800 521314576 /nfs/dbraw/zinc/31/45/76/521314576.db2.gz KVBZWUVFNAKWIL-YOEHRIQHSA-N 1 2 357.454 2.796 20 30 FFEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599588800 521314582 /nfs/dbraw/zinc/31/45/82/521314582.db2.gz KVBZWUVFNAKWIL-YOEHRIQHSA-N 1 2 357.454 2.796 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(Cl)cc1O ZINC000602442150 521349673 /nfs/dbraw/zinc/34/96/73/521349673.db2.gz RWJDLDRBPLVWMH-UHFFFAOYSA-N 1 2 358.829 2.643 20 30 FFEDLO N#CCCCCC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000594045389 521370543 /nfs/dbraw/zinc/37/05/43/521370543.db2.gz UYPQWLDQWOUWRH-UHFFFAOYSA-N 1 2 367.247 2.703 20 30 FFEDLO COc1cc(NC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)cc(OC)c1 ZINC000599677495 521392259 /nfs/dbraw/zinc/39/22/59/521392259.db2.gz JZQQDARVSBPELF-UHFFFAOYSA-N 1 2 365.433 2.767 20 30 FFEDLO COc1cc(NC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)cc(OC)c1 ZINC000599677495 521392265 /nfs/dbraw/zinc/39/22/65/521392265.db2.gz JZQQDARVSBPELF-UHFFFAOYSA-N 1 2 365.433 2.767 20 30 FFEDLO COCc1ccc(CNC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000599678601 521395599 /nfs/dbraw/zinc/39/55/99/521395599.db2.gz JJNFYBOZUWFDFB-UHFFFAOYSA-N 1 2 363.461 2.574 20 30 FFEDLO COCc1ccc(CNC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000599678601 521395603 /nfs/dbraw/zinc/39/56/03/521395603.db2.gz JJNFYBOZUWFDFB-UHFFFAOYSA-N 1 2 363.461 2.574 20 30 FFEDLO COC[C@]1(C)C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000599698301 521410685 /nfs/dbraw/zinc/41/06/85/521410685.db2.gz QNMDCCDVSMTKIU-RXVVDRJESA-N 1 2 373.497 2.676 20 30 FFEDLO COC[C@]1(C)C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000599698301 521410689 /nfs/dbraw/zinc/41/06/89/521410689.db2.gz QNMDCCDVSMTKIU-RXVVDRJESA-N 1 2 373.497 2.676 20 30 FFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000619218690 521456740 /nfs/dbraw/zinc/45/67/40/521456740.db2.gz OIPXHOWTVYUHMZ-UHFFFAOYSA-N 1 2 374.448 2.932 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3OCc4ccccc43)CC2)cc1 ZINC000594212122 521477387 /nfs/dbraw/zinc/47/73/87/521477387.db2.gz SXVMKIWHZWBZAZ-NRFANRHFSA-N 1 2 361.445 2.864 20 30 FFEDLO N#Cc1ccc(C2(NC(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CCC2)cc1 ZINC000594232411 521496126 /nfs/dbraw/zinc/49/61/26/521496126.db2.gz GKBVJEHUBQIYLM-SFHVURJKSA-N 1 2 361.449 2.911 20 30 FFEDLO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@](C)(C#N)C2)c(OC)c1 ZINC000612163100 521515133 /nfs/dbraw/zinc/51/51/33/521515133.db2.gz OKOHMUVGVKVCOM-NQIIRXRSSA-N 1 2 371.481 2.993 20 30 FFEDLO COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@@](C)(C#N)C2)c(OC)c1 ZINC000612163100 521515142 /nfs/dbraw/zinc/51/51/42/521515142.db2.gz OKOHMUVGVKVCOM-NQIIRXRSSA-N 1 2 371.481 2.993 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C2(c3cccc(C)c3)CCCC2)c1C#N ZINC000602777939 521527381 /nfs/dbraw/zinc/52/73/81/521527381.db2.gz WQCOBOWPDZPSJX-UHFFFAOYSA-N 1 2 365.481 2.614 20 30 FFEDLO COC(=O)c1cccc(OC)c1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000602821810 521553021 /nfs/dbraw/zinc/55/30/21/521553021.db2.gz AFKILMZBVVCPLJ-UHFFFAOYSA-N 1 2 365.433 2.934 20 30 FFEDLO Cn1c2ccc(C[NH+]3CCN(c4ccsc4C#N)CC3)cc2sc1=O ZINC000597182954 521561485 /nfs/dbraw/zinc/56/14/85/521561485.db2.gz GJABIJGLDQUUAL-UHFFFAOYSA-N 1 2 370.503 2.855 20 30 FFEDLO Cc1ccc([C@H](CNC(=O)N2CCC[C@](C)(C#N)C2)[NH+]2CCOCC2)cc1 ZINC000612358314 521590546 /nfs/dbraw/zinc/59/05/46/521590546.db2.gz JDPYBNZRNOMLJW-PZJWPPBQSA-N 1 2 370.497 2.704 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCC2(C#N)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000619531005 521756480 /nfs/dbraw/zinc/75/64/80/521756480.db2.gz WVWOUZSGRGPBQJ-GDBMZVCRSA-N 1 2 366.387 2.842 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)NCC2(C#N)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000619531005 521756487 /nfs/dbraw/zinc/75/64/87/521756487.db2.gz WVWOUZSGRGPBQJ-GDBMZVCRSA-N 1 2 366.387 2.842 20 30 FFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000619596765 521789491 /nfs/dbraw/zinc/78/94/91/521789491.db2.gz VRIHTEGDQGUMGQ-IBGZPJMESA-N 1 2 361.449 2.781 20 30 FFEDLO C=CCc1cc(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)cc(OC)c1O ZINC000621735636 523050860 /nfs/dbraw/zinc/05/08/60/523050860.db2.gz NRYITZNXEXAKRQ-GOSISDBHSA-N 1 2 373.474 2.889 20 30 FFEDLO C=CC1CCN(C(=O)c2ccc(NCC[NH+]3CCOCC3)c(F)c2)CC1 ZINC000631221806 523474467 /nfs/dbraw/zinc/47/44/67/523474467.db2.gz JZWHEUGVRXMNLF-UHFFFAOYSA-N 1 2 361.461 2.608 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000623048187 523645524 /nfs/dbraw/zinc/64/55/24/523645524.db2.gz JXRZDTVAJOZRMA-LJQANCHMSA-N 1 2 371.525 2.710 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000623048187 523645531 /nfs/dbraw/zinc/64/55/31/523645531.db2.gz JXRZDTVAJOZRMA-LJQANCHMSA-N 1 2 371.525 2.710 20 30 FFEDLO C=C(Br)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735398460 598261563 /nfs/dbraw/zinc/26/15/63/598261563.db2.gz HMVFKSLNDWSFIS-UHFFFAOYSA-N 1 2 364.247 2.619 20 30 FFEDLO CC(C)C[C@@H](CNC(=O)[O-])[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000833794010 606007480 /nfs/dbraw/zinc/00/74/80/606007480.db2.gz IQYJNDHHSQDMCU-IBGZPJMESA-N 1 2 358.486 2.795 20 30 FFEDLO Cc1c(C(=O)C=Cc2c[nH+]c3cccc(C)n23)c(-c2nn[nH]n2)c2n1CCC2 ZINC000822015825 606391060 /nfs/dbraw/zinc/39/10/60/606391060.db2.gz PJTKLIGDQIEPNN-HJWRWDBZSA-N 1 2 373.420 2.775 20 30 FFEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(-c2nn[nH]n2)c1 ZINC000824635093 608483794 /nfs/dbraw/zinc/48/37/94/608483794.db2.gz YRUXZCAQICLBBW-GFCCVEGCSA-N 1 2 372.392 2.639 20 30 FFEDLO Cc1sc(NC(=O)CO[NH+]=C(N)c2ccc3c(c2)CCO3)c(C)c1C ZINC000158217523 728884397 /nfs/dbraw/zinc/88/43/97/728884397.db2.gz COHQCFSNQUFAHN-UHFFFAOYSA-N 1 2 359.451 2.884 20 30 FFEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)C[C@@H]2CCCOC2)c1=S ZINC000159023179 728899146 /nfs/dbraw/zinc/89/91/46/728899146.db2.gz AYWNKGPUAQOOPP-HNNXBMFYSA-N 1 2 359.499 2.978 20 30 FFEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)C[C@@H]2CCCOC2)c1=S ZINC000159023179 728899150 /nfs/dbraw/zinc/89/91/50/728899150.db2.gz AYWNKGPUAQOOPP-HNNXBMFYSA-N 1 2 359.499 2.978 20 30 FFEDLO C=C(Br)CNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000743565053 735305860 /nfs/dbraw/zinc/30/58/60/735305860.db2.gz PBOYCCFWUAZYTL-AWEZNQCLSA-N 1 2 363.259 2.912 20 30 FFEDLO C#CC[N@@H+](CC)CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000746457547 735484943 /nfs/dbraw/zinc/48/49/43/735484943.db2.gz HOWKWDLKLSKTMY-UHFFFAOYSA-N 1 2 359.451 2.721 20 30 FFEDLO C#CC[N@H+](CC)CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000746457547 735484944 /nfs/dbraw/zinc/48/49/44/735484944.db2.gz HOWKWDLKLSKTMY-UHFFFAOYSA-N 1 2 359.451 2.721 20 30 FFEDLO C#CCCOc1ccc(C[NH+]2CCN(c3nc(CC)ns3)CC2)cc1 ZINC000093643074 728476662 /nfs/dbraw/zinc/47/66/62/728476662.db2.gz SMEQTCUZDXZSDF-UHFFFAOYSA-N 1 2 356.495 2.825 20 30 FFEDLO C#CCCCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000152099310 728747905 /nfs/dbraw/zinc/74/79/05/728747905.db2.gz RRFPOKLEYYCKBV-QZTJIDSGSA-N 1 2 363.889 2.814 20 30 FFEDLO C#CCCCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000152099310 728747906 /nfs/dbraw/zinc/74/79/06/728747906.db2.gz RRFPOKLEYYCKBV-QZTJIDSGSA-N 1 2 363.889 2.814 20 30 FFEDLO C=C(C)C[N@@H+](C)Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000182620566 729282654 /nfs/dbraw/zinc/28/26/54/729282654.db2.gz MALKIKXQEXRQIY-UHFFFAOYSA-N 1 2 355.485 2.679 20 30 FFEDLO C=C(C)C[N@H+](C)Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000182620566 729282655 /nfs/dbraw/zinc/28/26/55/729282655.db2.gz MALKIKXQEXRQIY-UHFFFAOYSA-N 1 2 355.485 2.679 20 30 FFEDLO N#Cc1ccc(C[NH2+]Cc2ccccc2S(=O)(=O)N2CCCCC2)o1 ZINC000238029709 729566048 /nfs/dbraw/zinc/56/60/48/729566048.db2.gz KYGOJDPDMYCZCS-UHFFFAOYSA-N 1 2 359.451 2.616 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(CO)CC3)n2)C1 ZINC000328636225 729794557 /nfs/dbraw/zinc/79/45/57/729794557.db2.gz ACFVPPSMBFDRAJ-CYBMUJFWSA-N 1 2 352.504 2.625 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(CO)CC3)n2)C1 ZINC000328636225 729794559 /nfs/dbraw/zinc/79/45/59/729794559.db2.gz ACFVPPSMBFDRAJ-CYBMUJFWSA-N 1 2 352.504 2.625 20 30 FFEDLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CCC[C@@H]1CO ZINC000329494908 729797629 /nfs/dbraw/zinc/79/76/29/729797629.db2.gz DILZCVLTVAGXJN-CZUORRHYSA-N 1 2 369.868 2.987 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000857237147 730386643 /nfs/dbraw/zinc/38/66/43/730386643.db2.gz OYSRDFXSMQRVTG-OLZOCXBDSA-N 1 2 361.433 2.521 20 30 FFEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2C[C@H](C)[C@@](C)(C(=O)OC)C2)c1=S ZINC000872633720 731804284 /nfs/dbraw/zinc/80/42/84/731804284.db2.gz XJQFPHVXOFUTHK-SJCJKPOMSA-N 1 2 350.488 2.566 20 30 FFEDLO C=CCn1c(C2CC2)nn(C[N@H+]2C[C@H](C)[C@@](C)(C(=O)OC)C2)c1=S ZINC000872633720 731804287 /nfs/dbraw/zinc/80/42/87/731804287.db2.gz XJQFPHVXOFUTHK-SJCJKPOMSA-N 1 2 350.488 2.566 20 30 FFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(C#N)cn2)CC1 ZINC000780652645 738565944 /nfs/dbraw/zinc/56/59/44/738565944.db2.gz PEGPDIUWURLIHA-CQSZACIVSA-N 1 2 355.467 2.603 20 30 FFEDLO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC(F)(F)CO ZINC000926193510 738580126 /nfs/dbraw/zinc/58/01/26/738580126.db2.gz RGTOWJZZSQULIQ-ZDUSSCGKSA-N 1 2 361.433 2.523 20 30 FFEDLO C#Cc1cccc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000876038262 732209693 /nfs/dbraw/zinc/20/96/93/732209693.db2.gz CTBDMPNOXPXCPT-UHFFFAOYSA-N 1 2 352.463 2.938 20 30 FFEDLO C=CC[N@@H+](CCc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000878242658 732503497 /nfs/dbraw/zinc/50/34/97/732503497.db2.gz TVIGWHKAQQCGPA-CQSZACIVSA-N 1 2 358.301 2.667 20 30 FFEDLO C=CC[N@H+](CCc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000878242658 732503500 /nfs/dbraw/zinc/50/35/00/732503500.db2.gz TVIGWHKAQQCGPA-CQSZACIVSA-N 1 2 358.301 2.667 20 30 FFEDLO C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCS1 ZINC000927254321 738710745 /nfs/dbraw/zinc/71/07/45/738710745.db2.gz UGYRZUOBYRAHOT-CRAIPNDOSA-N 1 2 358.511 2.670 20 30 FFEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 ZINC000886771648 733830295 /nfs/dbraw/zinc/83/02/95/733830295.db2.gz LGAJALPEIBKJRF-UHFFFAOYSA-N 1 2 368.861 2.699 20 30 FFEDLO C[C@H]([C@H](C)NC(=S)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCOCC1 ZINC000729649305 734589423 /nfs/dbraw/zinc/58/94/23/734589423.db2.gz XCKOKCOAVHSZTN-NWDGAFQWSA-N 1 2 352.891 2.607 20 30 FFEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000741147667 735120292 /nfs/dbraw/zinc/12/02/92/735120292.db2.gz LAJNBXPMUYWSAC-MLGOLLRUSA-N 1 2 363.845 2.956 20 30 FFEDLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000741147667 735120294 /nfs/dbraw/zinc/12/02/94/735120294.db2.gz LAJNBXPMUYWSAC-MLGOLLRUSA-N 1 2 363.845 2.956 20 30 FFEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000741147663 735120305 /nfs/dbraw/zinc/12/03/05/735120305.db2.gz LAJNBXPMUYWSAC-BLLLJJGKSA-N 1 2 363.845 2.956 20 30 FFEDLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000741147663 735120308 /nfs/dbraw/zinc/12/03/08/735120308.db2.gz LAJNBXPMUYWSAC-BLLLJJGKSA-N 1 2 363.845 2.956 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000741147128 735120409 /nfs/dbraw/zinc/12/04/09/735120409.db2.gz SPASLYPWJFLLHE-MRXNPFEDSA-N 1 2 363.845 2.614 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000741147128 735120412 /nfs/dbraw/zinc/12/04/12/735120412.db2.gz SPASLYPWJFLLHE-MRXNPFEDSA-N 1 2 363.845 2.614 20 30 FFEDLO O=C1C=COC2(CC[NH+](Cc3cc(O)ccc3Br)CC2)C1 ZINC000897601955 735253892 /nfs/dbraw/zinc/25/38/92/735253892.db2.gz CIGTUJAICKPWKV-UHFFFAOYSA-N 1 2 352.228 2.992 20 30 FFEDLO C/C(=C/C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)C[NH+]1CCOCC1 ZINC000900608379 735667846 /nfs/dbraw/zinc/66/78/46/735667846.db2.gz MZTGKMNXVVOTHN-HMVFGEFZSA-N 1 2 368.264 2.953 20 30 FFEDLO N#Cc1c(=O)n(C[N@@H+]2CC[C@H](Cc3nccs3)C2)cc2c1CCCC2 ZINC000902649089 735975669 /nfs/dbraw/zinc/97/56/69/735975669.db2.gz HYTNAHHBDSCQIN-CQSZACIVSA-N 1 2 354.479 2.577 20 30 FFEDLO N#Cc1c(=O)n(C[N@H+]2CC[C@H](Cc3nccs3)C2)cc2c1CCCC2 ZINC000902649089 735975670 /nfs/dbraw/zinc/97/56/70/735975670.db2.gz HYTNAHHBDSCQIN-CQSZACIVSA-N 1 2 354.479 2.577 20 30 FFEDLO Cn1nc(-c2ccccc2)c(C=NNC2=[NH+][C@H]3CCCC[C@H]3N2)c1Cl ZINC000753936190 736108021 /nfs/dbraw/zinc/10/80/21/736108021.db2.gz SFGXPCRBIYBPAG-GASCZTMLSA-N 1 2 356.861 2.934 20 30 FFEDLO C#CC[N@@H+](CC)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000754050475 736119713 /nfs/dbraw/zinc/11/97/13/736119713.db2.gz KSRRBZVZJHFNCC-FQEVSTJZSA-N 1 2 356.491 2.970 20 30 FFEDLO C#CC[N@H+](CC)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000754050475 736119715 /nfs/dbraw/zinc/11/97/15/736119715.db2.gz KSRRBZVZJHFNCC-FQEVSTJZSA-N 1 2 356.491 2.970 20 30 FFEDLO C=CCN1CC(=O)N([C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1=O ZINC000761266774 736715382 /nfs/dbraw/zinc/71/53/82/736715382.db2.gz MUKBGMFKKFUVSQ-HNNXBMFYSA-N 1 2 365.836 2.894 20 30 FFEDLO C=CCN1CC(=O)N([C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1=O ZINC000761266774 736715385 /nfs/dbraw/zinc/71/53/85/736715385.db2.gz MUKBGMFKKFUVSQ-HNNXBMFYSA-N 1 2 365.836 2.894 20 30 FFEDLO COc1nccnc1N=NCc1c[nH+]c2c(C)cc(Br)cn12 ZINC000763412013 736936739 /nfs/dbraw/zinc/93/67/39/736936739.db2.gz MXKVZHRDKPKKEL-UHFFFAOYSA-N 1 2 361.203 2.650 20 30 FFEDLO N#CC1(C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)CCSCC1 ZINC000909757213 736975952 /nfs/dbraw/zinc/97/59/52/736975952.db2.gz QBQPZMCVYUAOIJ-UHFFFAOYSA-N 1 2 360.479 2.599 20 30 FFEDLO C=CCn1nnn(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)c1=S ZINC000764130591 736995530 /nfs/dbraw/zinc/99/55/30/736995530.db2.gz KQBFRKGNEFVMGI-UHFFFAOYSA-N 1 2 367.425 2.526 20 30 FFEDLO Fc1ccc(NC(=S)N[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000915927503 737665660 /nfs/dbraw/zinc/66/56/60/737665660.db2.gz VEGBYVDTKPLKRR-UHFFFAOYSA-N 1 2 358.442 2.983 20 30 FFEDLO C[N@H+](CC(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)[C@H]1CCSC1 ZINC000773978282 737950212 /nfs/dbraw/zinc/95/02/12/737950212.db2.gz AZQLXCGSKLULAT-RYUDHWBXSA-N 1 2 369.849 2.564 20 30 FFEDLO C[N@@H+](CC(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)[C@H]1CCSC1 ZINC000773978282 737950215 /nfs/dbraw/zinc/95/02/15/737950215.db2.gz AZQLXCGSKLULAT-RYUDHWBXSA-N 1 2 369.849 2.564 20 30 FFEDLO C[NH+](C)Cc1csc(CNC(=O)NCc2ccc(C#N)c(Cl)c2)n1 ZINC000922375435 738132343 /nfs/dbraw/zinc/13/23/43/738132343.db2.gz VFKDLWSEPTUOEI-UHFFFAOYSA-N 1 2 363.874 2.729 20 30 FFEDLO C[C@@H]1CC[N@H+](Cc2ccccc2)CC1=NNS(=O)(=O)c1ccccc1 ZINC000776183027 738168908 /nfs/dbraw/zinc/16/89/08/738168908.db2.gz HAQPQAXTGUHYFE-MRXNPFEDSA-N 1 2 357.479 2.863 20 30 FFEDLO C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1=NNS(=O)(=O)c1ccccc1 ZINC000776183027 738168909 /nfs/dbraw/zinc/16/89/09/738168909.db2.gz HAQPQAXTGUHYFE-MRXNPFEDSA-N 1 2 357.479 2.863 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(=O)n2cc(C)sc2n1 ZINC000930456258 739111980 /nfs/dbraw/zinc/11/19/80/739111980.db2.gz RTHSIDHKABMMLQ-UHFFFAOYSA-N 1 2 359.451 2.728 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(=O)n2cc(C)sc2n1 ZINC000930456258 739111985 /nfs/dbraw/zinc/11/19/85/739111985.db2.gz RTHSIDHKABMMLQ-UHFFFAOYSA-N 1 2 359.451 2.728 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2c(F)ccc(C)c2Br)CC1 ZINC000787283161 739122479 /nfs/dbraw/zinc/12/24/79/739122479.db2.gz LZIVMMRTJFODGL-UHFFFAOYSA-N 1 2 353.235 2.678 20 30 FFEDLO CCn1c[nH+]c2c1CCN([C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000933263813 739590982 /nfs/dbraw/zinc/59/09/82/739590982.db2.gz VMPKLNSHTSCKDO-GFCCVEGCSA-N 1 2 357.845 2.813 20 30 FFEDLO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000934752347 739832338 /nfs/dbraw/zinc/83/23/38/739832338.db2.gz OGAVWGCJLMTKIY-XMMPIXPASA-N 1 2 368.934 2.998 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C(C)(C)C1 ZINC000941049926 740196092 /nfs/dbraw/zinc/19/60/92/740196092.db2.gz KBWZYNYUBBEPNT-APIJFGDWSA-N 1 2 371.319 2.679 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C(C)(C)C1 ZINC000941049926 740196095 /nfs/dbraw/zinc/19/60/95/740196095.db2.gz KBWZYNYUBBEPNT-APIJFGDWSA-N 1 2 371.319 2.679 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000800336194 740513839 /nfs/dbraw/zinc/51/38/39/740513839.db2.gz FTIBEFOHRCWJKH-OAGGEKHMSA-N 1 2 352.475 2.826 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000800336194 740513841 /nfs/dbraw/zinc/51/38/41/740513841.db2.gz FTIBEFOHRCWJKH-OAGGEKHMSA-N 1 2 352.475 2.826 20 30 FFEDLO CC(=O)NCC[N@@H+](CCO[C@H](C)C#N)Cc1ccc(Cl)cc1Cl ZINC000801955648 740667885 /nfs/dbraw/zinc/66/78/85/740667885.db2.gz UWWLRJIPRMHFCJ-GFCCVEGCSA-N 1 2 358.269 2.860 20 30 FFEDLO CC(=O)NCC[N@H+](CCO[C@H](C)C#N)Cc1ccc(Cl)cc1Cl ZINC000801955648 740667886 /nfs/dbraw/zinc/66/78/86/740667886.db2.gz UWWLRJIPRMHFCJ-GFCCVEGCSA-N 1 2 358.269 2.860 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC000969685304 740736896 /nfs/dbraw/zinc/73/68/96/740736896.db2.gz SHTRBROKNAOLKD-XKQJLSEDSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](Cc1cscn1)C2 ZINC000981775983 741172733 /nfs/dbraw/zinc/17/27/33/741172733.db2.gz ANPKWTOCTKCZHE-SJORKVTESA-N 1 2 361.511 2.549 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](Cc1cscn1)C2 ZINC000981775983 741172735 /nfs/dbraw/zinc/17/27/35/741172735.db2.gz ANPKWTOCTKCZHE-SJORKVTESA-N 1 2 361.511 2.549 20 30 FFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000810086906 741384045 /nfs/dbraw/zinc/38/40/45/741384045.db2.gz UTMDUVZCPOCNSQ-CVEARBPZSA-N 1 2 352.475 2.683 20 30 FFEDLO C=CCCCS(=O)(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000813675326 741747200 /nfs/dbraw/zinc/74/72/00/741747200.db2.gz ZDDKJLAYNPSVPH-UHFFFAOYSA-N 1 2 351.516 2.607 20 30 FFEDLO CC(=[NH+]Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1cc(N)ccc1F ZINC000814827757 741868318 /nfs/dbraw/zinc/86/83/18/741868318.db2.gz CBJGOPHEAOMVNT-UHFFFAOYSA-N 1 2 362.430 2.685 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001007359158 742326474 /nfs/dbraw/zinc/32/64/74/742326474.db2.gz BGKGNUBTLYJYAK-ZACQAIPSSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001007359158 742326480 /nfs/dbraw/zinc/32/64/80/742326480.db2.gz BGKGNUBTLYJYAK-ZACQAIPSSA-N 1 2 363.889 2.797 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000819423053 742388720 /nfs/dbraw/zinc/38/87/20/742388720.db2.gz JBRRQUBYLIZJMW-HOTGVXAUSA-N 1 2 367.877 2.516 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000819423053 742388727 /nfs/dbraw/zinc/38/87/27/742388727.db2.gz JBRRQUBYLIZJMW-HOTGVXAUSA-N 1 2 367.877 2.516 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1csc(CC)n1 ZINC001024662252 742733460 /nfs/dbraw/zinc/73/34/60/742733460.db2.gz VDUJSSOJABHHMZ-ZACQAIPSSA-N 1 2 363.527 2.767 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1csc(CC)n1 ZINC001024662252 742733464 /nfs/dbraw/zinc/73/34/64/742733464.db2.gz VDUJSSOJABHHMZ-ZACQAIPSSA-N 1 2 363.527 2.767 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1csc(C)n1 ZINC001024702675 742735059 /nfs/dbraw/zinc/73/50/59/742735059.db2.gz ZRXSCCDMHCFDBX-SQNIBIBYSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1csc(C)n1 ZINC001024702675 742735061 /nfs/dbraw/zinc/73/50/61/742735061.db2.gz ZRXSCCDMHCFDBX-SQNIBIBYSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC(=C)Br)C1 ZINC001027415645 742768308 /nfs/dbraw/zinc/76/83/08/742768308.db2.gz NZEAFFMGVMTAQV-OAGGEKHMSA-N 1 2 371.319 2.799 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC(=C)Br)C1 ZINC001027415645 742768312 /nfs/dbraw/zinc/76/83/12/742768312.db2.gz NZEAFFMGVMTAQV-OAGGEKHMSA-N 1 2 371.319 2.799 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001033497222 742894843 /nfs/dbraw/zinc/89/48/43/742894843.db2.gz LNMZISCIKHNKDZ-BQFCYCMXSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001033497222 742894850 /nfs/dbraw/zinc/89/48/50/742894850.db2.gz LNMZISCIKHNKDZ-BQFCYCMXSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001034314643 742919682 /nfs/dbraw/zinc/91/96/82/742919682.db2.gz WLXWAQHYYMEBDA-XUWVNRHRSA-N 1 2 371.319 2.681 20 30 FFEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001034314643 742919687 /nfs/dbraw/zinc/91/96/87/742919687.db2.gz WLXWAQHYYMEBDA-XUWVNRHRSA-N 1 2 371.319 2.681 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2csc(C)n2)C1 ZINC001034440892 742927504 /nfs/dbraw/zinc/92/75/04/742927504.db2.gz ZWOQQDPAWFQOAK-NJAFHUGGSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2csc(C)n2)C1 ZINC001034440892 742927506 /nfs/dbraw/zinc/92/75/06/742927506.db2.gz ZWOQQDPAWFQOAK-NJAFHUGGSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001046318625 743317626 /nfs/dbraw/zinc/31/76/26/743317626.db2.gz DUIJNTFKQSAHAW-JTDSTZFVSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001046318625 743317636 /nfs/dbraw/zinc/31/76/36/743317636.db2.gz DUIJNTFKQSAHAW-JTDSTZFVSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001046960184 743344342 /nfs/dbraw/zinc/34/43/42/743344342.db2.gz GZKRAOAMDRBGBD-MJBXVCDLSA-N 1 2 350.837 2.627 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001046960184 743344352 /nfs/dbraw/zinc/34/43/52/743344352.db2.gz GZKRAOAMDRBGBD-MJBXVCDLSA-N 1 2 350.837 2.627 20 30 FFEDLO C#CCC[NH+]1CCC(NC(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000826014452 743355723 /nfs/dbraw/zinc/35/57/23/743355723.db2.gz WVUSTTOHCDHQCV-UHFFFAOYSA-N 1 2 369.234 2.511 20 30 FFEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)CC1 ZINC001052056540 743572213 /nfs/dbraw/zinc/57/22/13/743572213.db2.gz FJKLXOKBGNWCOK-ZSYWTGECSA-N 1 2 365.949 2.784 20 30 FFEDLO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1csc(C(C)(C)O)n1 ZINC000832383413 745689347 /nfs/dbraw/zinc/68/93/47/745689347.db2.gz BZXJYNRPYNUCRZ-UHFFFAOYSA-N 1 2 358.467 2.703 20 30 FFEDLO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1csc(C(C)(C)O)n1 ZINC000832383413 745689348 /nfs/dbraw/zinc/68/93/48/745689348.db2.gz BZXJYNRPYNUCRZ-UHFFFAOYSA-N 1 2 358.467 2.703 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC000837274691 746409563 /nfs/dbraw/zinc/40/95/63/746409563.db2.gz WGEKUNAAPJPKSZ-INIZCTEOSA-N 1 2 351.372 2.601 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC000837274691 746409565 /nfs/dbraw/zinc/40/95/65/746409565.db2.gz WGEKUNAAPJPKSZ-INIZCTEOSA-N 1 2 351.372 2.601 20 30 FFEDLO S=C(NCCc1cccs1)NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000839413189 746824414 /nfs/dbraw/zinc/82/44/14/746824414.db2.gz IQHMJHGWOGIBAQ-UHFFFAOYSA-N 1 2 355.492 2.975 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3nnc(C4CC4)s3)C2=O)cc1 ZINC000842163164 747536712 /nfs/dbraw/zinc/53/67/12/747536712.db2.gz KZDGJYJVXCEZJK-HNNXBMFYSA-N 1 2 353.451 2.572 20 30 FFEDLO C[C@@H](c1ncc(Br)cn1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372028 748015791 /nfs/dbraw/zinc/01/57/91/748015791.db2.gz TYJQBOOWMLJMCX-XHDPSFHLSA-N 1 2 361.243 2.837 20 30 FFEDLO C[C@@H](c1ncc(Br)cn1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372028 748015802 /nfs/dbraw/zinc/01/58/02/748015802.db2.gz TYJQBOOWMLJMCX-XHDPSFHLSA-N 1 2 361.243 2.837 20 30 FFEDLO C=CCCn1cc(C[N@H+](C)C[C@H](O)c2ccccc2Br)nn1 ZINC000846984670 748590543 /nfs/dbraw/zinc/59/05/43/748590543.db2.gz QBNHQAIWVSNZRJ-INIZCTEOSA-N 1 2 365.275 2.782 20 30 FFEDLO C=CCCn1cc(C[N@@H+](C)C[C@H](O)c2ccccc2Br)nn1 ZINC000846984670 748590548 /nfs/dbraw/zinc/59/05/48/748590548.db2.gz QBNHQAIWVSNZRJ-INIZCTEOSA-N 1 2 365.275 2.782 20 30 FFEDLO N#CCCCC[C@@H]([NH3+])c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000848623311 748972840 /nfs/dbraw/zinc/97/28/40/748972840.db2.gz DEOYEZDGMZXQOG-CYBMUJFWSA-N 1 2 368.846 2.781 20 30 FFEDLO C#C[C@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1CCOCC1 ZINC000853858109 750183341 /nfs/dbraw/zinc/18/33/41/750183341.db2.gz FOCKGXGWFGFEDL-INIZCTEOSA-N 1 2 362.499 2.679 20 30 FFEDLO CCCc1nc(CON=C(N)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cs1 ZINC000181851492 970967403 /nfs/dbraw/zinc/96/74/03/970967403.db2.gz FCKNOBHBWCGAQI-KRWDZBQOSA-N 1 2 374.510 2.785 20 30 FFEDLO CCCc1nc(CON=C(N)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cs1 ZINC000181851492 970967404 /nfs/dbraw/zinc/96/74/04/970967404.db2.gz FCKNOBHBWCGAQI-KRWDZBQOSA-N 1 2 374.510 2.785 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(CC)ccn3)[C@@H]2C1 ZINC001075826995 971291171 /nfs/dbraw/zinc/29/11/71/971291171.db2.gz ANOMQTPOMSGWOL-GOEBONIOSA-N 1 2 364.287 2.699 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(CC)ccn3)[C@@H]2C1 ZINC001075826995 971291177 /nfs/dbraw/zinc/29/11/77/971291177.db2.gz ANOMQTPOMSGWOL-GOEBONIOSA-N 1 2 364.287 2.699 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C4CC4)s3)CC[C@@H]2C1 ZINC001088066990 972070676 /nfs/dbraw/zinc/07/06/76/972070676.db2.gz JFBHRKKITADTDF-CABCVRRESA-N 1 2 360.527 2.908 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C4CC4)s3)CC[C@@H]2C1 ZINC001088066990 972070685 /nfs/dbraw/zinc/07/06/85/972070685.db2.gz JFBHRKKITADTDF-CABCVRRESA-N 1 2 360.527 2.908 20 30 FFEDLO CCC[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001083186604 959381048 /nfs/dbraw/zinc/38/10/48/959381048.db2.gz BJMSXFATRDKUCN-WSTLGDPDSA-N 1 2 371.456 2.545 20 30 FFEDLO CCC[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001083186604 959381064 /nfs/dbraw/zinc/38/10/64/959381064.db2.gz BJMSXFATRDKUCN-WSTLGDPDSA-N 1 2 371.456 2.545 20 30 FFEDLO N#Cc1cn(-c2ccc(OCC[NH+]3CCOCC3)cc2)c2ccc(N)cc12 ZINC001174433954 1013206078 /nfs/dbraw/zinc/20/60/78/1013206078.db2.gz YTBSEBCCRKIXPY-UHFFFAOYSA-N 1 2 362.433 2.795 20 30 FFEDLO CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(C#N)ccc1F)C2 ZINC001275944831 1013216251 /nfs/dbraw/zinc/21/62/51/1013216251.db2.gz BMPWJSBJNFROOA-FOIQADDNSA-N 1 2 359.445 2.547 20 30 FFEDLO CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(C#N)ccc1F)C2 ZINC001275944831 1013216258 /nfs/dbraw/zinc/21/62/58/1013216258.db2.gz BMPWJSBJNFROOA-FOIQADDNSA-N 1 2 359.445 2.547 20 30 FFEDLO N#CC[C@H]1CCC[N@@H+](CN2C(=O)C[C@@]3(CCc4cc(Cl)ccc43)C2=O)C1 ZINC000872624909 1013239957 /nfs/dbraw/zinc/23/99/57/1013239957.db2.gz YNOYBUUWHVGWLR-JLTOFOAXSA-N 1 2 371.868 2.866 20 30 FFEDLO N#CC[C@H]1CCC[N@H+](CN2C(=O)C[C@@]3(CCc4cc(Cl)ccc43)C2=O)C1 ZINC000872624909 1013239967 /nfs/dbraw/zinc/23/99/67/1013239967.db2.gz YNOYBUUWHVGWLR-JLTOFOAXSA-N 1 2 371.868 2.866 20 30 FFEDLO COC(C)(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)cc(C#N)c2)C1=O ZINC001276005374 1013276828 /nfs/dbraw/zinc/27/68/28/1013276828.db2.gz UGRDCXWSZCODHU-FQEVSTJZSA-N 1 2 359.445 2.689 20 30 FFEDLO COC(C)(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)cc(C#N)c2)C1=O ZINC001276005374 1013276833 /nfs/dbraw/zinc/27/68/33/1013276833.db2.gz UGRDCXWSZCODHU-FQEVSTJZSA-N 1 2 359.445 2.689 20 30 FFEDLO C=CCN1CC[C@@]2(CC[N@@H+](Cc3nc(Br)cs3)C2)C1=O ZINC001276014962 1013287363 /nfs/dbraw/zinc/28/73/63/1013287363.db2.gz YHUNSFVIPHIEKB-CQSZACIVSA-N 1 2 356.289 2.516 20 30 FFEDLO C=CCN1CC[C@@]2(CC[N@H+](Cc3nc(Br)cs3)C2)C1=O ZINC001276014962 1013287369 /nfs/dbraw/zinc/28/73/69/1013287369.db2.gz YHUNSFVIPHIEKB-CQSZACIVSA-N 1 2 356.289 2.516 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(O)ccc1Cl ZINC001110185864 1013458653 /nfs/dbraw/zinc/45/86/53/1013458653.db2.gz NUZMCYLRGGYFNS-YENGBRFLSA-N 1 2 364.873 2.858 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(O)ccc1Cl ZINC001110185864 1013458660 /nfs/dbraw/zinc/45/86/60/1013458660.db2.gz NUZMCYLRGGYFNS-YENGBRFLSA-N 1 2 364.873 2.858 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2c(F)cccc2F)C1 ZINC000971556519 964160501 /nfs/dbraw/zinc/16/05/01/964160501.db2.gz RNUKWLADDBUZDS-CLCXKQKWSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2c(F)cccc2F)C1 ZINC000971556519 964160507 /nfs/dbraw/zinc/16/05/07/964160507.db2.gz RNUKWLADDBUZDS-CLCXKQKWSA-N 1 2 364.436 2.979 20 30 FFEDLO C#CC[N@@H+](CC(=O)Nc1c(C)nn(C)c1C)[C@@H]1CCCc2ccccc21 ZINC000933422027 964359229 /nfs/dbraw/zinc/35/92/29/964359229.db2.gz PCPZMBGYHMEHDJ-LJQANCHMSA-N 1 2 350.466 2.988 20 30 FFEDLO C#CC[N@H+](CC(=O)Nc1c(C)nn(C)c1C)[C@@H]1CCCc2ccccc21 ZINC000933422027 964359237 /nfs/dbraw/zinc/35/92/37/964359237.db2.gz PCPZMBGYHMEHDJ-LJQANCHMSA-N 1 2 350.466 2.988 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000960883406 1013505641 /nfs/dbraw/zinc/50/56/41/1013505641.db2.gz KOLCTWCVYOGUJP-BBWFWOEESA-N 1 2 359.470 2.566 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000960883406 1013505643 /nfs/dbraw/zinc/50/56/43/1013505643.db2.gz KOLCTWCVYOGUJP-BBWFWOEESA-N 1 2 359.470 2.566 20 30 FFEDLO C[C@H]1C[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)[C@H]1c1ccccc1 ZINC000247490883 965346691 /nfs/dbraw/zinc/34/66/91/965346691.db2.gz VWCITNWCZDNUAM-HRAATJIYSA-N 1 2 374.444 2.973 20 30 FFEDLO C[C@H]1C[N@@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)[C@H]1c1ccccc1 ZINC000247490883 965346706 /nfs/dbraw/zinc/34/67/06/965346706.db2.gz VWCITNWCZDNUAM-HRAATJIYSA-N 1 2 374.444 2.973 20 30 FFEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC000971967206 965799219 /nfs/dbraw/zinc/79/92/19/965799219.db2.gz VHWLCOOJCUYIMM-JOCLIGHLSA-N 1 2 371.456 2.545 20 30 FFEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC000971967206 965799227 /nfs/dbraw/zinc/79/92/27/965799227.db2.gz VHWLCOOJCUYIMM-JOCLIGHLSA-N 1 2 371.456 2.545 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971985103 965866995 /nfs/dbraw/zinc/86/69/95/965866995.db2.gz MFBCZPKHBWZBRL-OTWHNJEPSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971985103 965867007 /nfs/dbraw/zinc/86/70/07/965867007.db2.gz MFBCZPKHBWZBRL-OTWHNJEPSA-N 1 2 359.445 2.545 20 30 FFEDLO C#CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C(C)(C)C ZINC001176281901 1013664005 /nfs/dbraw/zinc/66/40/05/1013664005.db2.gz RDFGFNJVYSSISR-UHFFFAOYSA-N 1 2 359.539 2.908 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)oc2C)C1 ZINC000972512366 967514872 /nfs/dbraw/zinc/51/48/72/967514872.db2.gz CEQKVRVFFDXCOC-AOIWGVFYSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)oc2C)C1 ZINC000972512366 967514882 /nfs/dbraw/zinc/51/48/82/967514882.db2.gz CEQKVRVFFDXCOC-AOIWGVFYSA-N 1 2 361.486 2.695 20 30 FFEDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC2(CNC(=O)C2)CC1 ZINC000329789489 968044580 /nfs/dbraw/zinc/04/45/80/968044580.db2.gz BZIHTENOHSBIJD-UHFFFAOYSA-N 1 2 357.458 2.538 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)[C@H]1CC ZINC001087558403 968126253 /nfs/dbraw/zinc/12/62/53/968126253.db2.gz FWSXFQMVHDMLDP-FIQHERPVSA-N 1 2 351.235 2.765 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)[C@H]1CC ZINC001087558403 968126254 /nfs/dbraw/zinc/12/62/54/968126254.db2.gz FWSXFQMVHDMLDP-FIQHERPVSA-N 1 2 351.235 2.765 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncc(CC)o2)[C@@H]1CC ZINC001087576995 968208298 /nfs/dbraw/zinc/20/82/98/968208298.db2.gz PIZFXEZEJASCRM-XDNAFOTISA-N 1 2 361.486 2.687 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(CC)o2)[C@@H]1CC ZINC001087576995 968208307 /nfs/dbraw/zinc/20/83/07/968208307.db2.gz PIZFXEZEJASCRM-XDNAFOTISA-N 1 2 361.486 2.687 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2nccn2CC)[C@@H]1CC ZINC001087602738 968328615 /nfs/dbraw/zinc/32/86/15/968328615.db2.gz CSALODMHQQNNPG-DLBZAZTESA-N 1 2 355.486 2.673 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2nccn2CC)[C@@H]1CC ZINC001087602738 968328627 /nfs/dbraw/zinc/32/86/27/968328627.db2.gz CSALODMHQQNNPG-DLBZAZTESA-N 1 2 355.486 2.673 20 30 FFEDLO COC(=O)c1cc(C#N)cc(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC001176967410 1013816721 /nfs/dbraw/zinc/81/67/21/1013816721.db2.gz MDROKRGCWYYYCT-HNNXBMFYSA-N 1 2 364.405 2.595 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC2=CCOCC2)[C@H]1CC ZINC001087712377 968697268 /nfs/dbraw/zinc/69/72/68/968697268.db2.gz FNYPYVOFBRPSQU-LSDHHAIUSA-N 1 2 357.292 2.601 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC2=CCOCC2)[C@H]1CC ZINC001087712377 968697274 /nfs/dbraw/zinc/69/72/74/968697274.db2.gz FNYPYVOFBRPSQU-LSDHHAIUSA-N 1 2 357.292 2.601 20 30 FFEDLO N#Cc1ccccc1OCCCNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176973147 1013818996 /nfs/dbraw/zinc/81/89/96/1013818996.db2.gz DCQIDVHULKCAIM-GOSISDBHSA-N 1 2 364.449 2.755 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nnc4n3CCCC4)[C@@H]2CC)CC1 ZINC001087713663 968701372 /nfs/dbraw/zinc/70/13/72/968701372.db2.gz ASMCRWHUPITJPA-ZWKOTPCHSA-N 1 2 371.529 2.830 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nnc4n3CCCC4)[C@@H]2CC)CC1 ZINC001087713663 968701377 /nfs/dbraw/zinc/70/13/77/968701377.db2.gz ASMCRWHUPITJPA-ZWKOTPCHSA-N 1 2 371.529 2.830 20 30 FFEDLO C[C@H](Nc1nc2c(c(C#N)c1C#N)CCCCCC2)[C@H]1CN(C)CC[N@@H+]1C ZINC000895246176 968758665 /nfs/dbraw/zinc/75/86/65/968758665.db2.gz MMJGWBOJDUOLFL-MGPUTAFESA-N 1 2 366.513 2.530 20 30 FFEDLO C[C@H](Nc1nc2c(c(C#N)c1C#N)CCCCCC2)[C@H]1CN(C)CC[N@H+]1C ZINC000895246176 968758667 /nfs/dbraw/zinc/75/86/67/968758667.db2.gz MMJGWBOJDUOLFL-MGPUTAFESA-N 1 2 366.513 2.530 20 30 FFEDLO CC(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)NCC#N)cc1 ZINC001267512082 969215488 /nfs/dbraw/zinc/21/54/88/969215488.db2.gz ACVFJRVGGJRJCY-KURKYZTESA-N 1 2 351.454 2.607 20 30 FFEDLO CC(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)NCC#N)cc1 ZINC001267512082 969215493 /nfs/dbraw/zinc/21/54/93/969215493.db2.gz ACVFJRVGGJRJCY-KURKYZTESA-N 1 2 351.454 2.607 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C4CC4)no3)CC[C@@H]2C1 ZINC001088093423 972730329 /nfs/dbraw/zinc/73/03/29/972730329.db2.gz WNDHHFPYVCSSQA-GQIGUUNPSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C4CC4)no3)CC[C@@H]2C1 ZINC001088093423 972730338 /nfs/dbraw/zinc/73/03/38/972730338.db2.gz WNDHHFPYVCSSQA-GQIGUUNPSA-N 1 2 358.486 2.830 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cccc(F)c2)cc1C#N ZINC001271504372 973810604 /nfs/dbraw/zinc/81/06/04/973810604.db2.gz HHIXIBOWBFETRS-HDICACEKSA-N 1 2 352.413 2.525 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cccc(F)c2)cc1C#N ZINC001271504372 973810612 /nfs/dbraw/zinc/81/06/12/973810612.db2.gz HHIXIBOWBFETRS-HDICACEKSA-N 1 2 352.413 2.525 20 30 FFEDLO Cc1ccsc1/C=C/C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001271629269 973937728 /nfs/dbraw/zinc/93/77/28/973937728.db2.gz VMPBXVPYBHAPBC-ONEGZZNKSA-N 1 2 366.490 2.624 20 30 FFEDLO COC(=O)c1sccc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000893476281 974585670 /nfs/dbraw/zinc/58/56/70/974585670.db2.gz WUWCNROZERMUTJ-INIZCTEOSA-N 1 2 369.446 2.692 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000653152055 1014238081 /nfs/dbraw/zinc/23/80/81/1014238081.db2.gz OUOKZHZQUQKRJY-SQNIBIBYSA-N 1 2 354.454 2.737 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2snnc2CC)C1 ZINC001087431865 976044966 /nfs/dbraw/zinc/04/49/66/976044966.db2.gz MNBQBZYMDMWXFY-SJLPKXTDSA-N 1 2 368.506 2.712 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2snnc2CC)C1 ZINC001087431865 976044982 /nfs/dbraw/zinc/04/49/82/976044982.db2.gz MNBQBZYMDMWXFY-SJLPKXTDSA-N 1 2 368.506 2.712 20 30 FFEDLO CCCc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)s1 ZINC001083495158 976302260 /nfs/dbraw/zinc/30/22/60/976302260.db2.gz KHOREGVMDROOGN-MSOLQXFVSA-N 1 2 369.490 2.547 20 30 FFEDLO CCCc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)s1 ZINC001083495158 976302270 /nfs/dbraw/zinc/30/22/70/976302270.db2.gz KHOREGVMDROOGN-MSOLQXFVSA-N 1 2 369.490 2.547 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)c(F)c1 ZINC000981656896 976687929 /nfs/dbraw/zinc/68/79/29/976687929.db2.gz OFWBYQHANDWORA-QUCCMNQESA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)c(F)c1 ZINC000981656896 976687934 /nfs/dbraw/zinc/68/79/34/976687934.db2.gz OFWBYQHANDWORA-QUCCMNQESA-N 1 2 371.456 2.547 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)c(F)c2)CC1 ZINC000982173242 977322866 /nfs/dbraw/zinc/32/28/66/977322866.db2.gz JEDPNSQLTVHIBA-LPHOPBHVSA-N 1 2 364.436 2.980 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)c(F)c2)CC1 ZINC000982173242 977322871 /nfs/dbraw/zinc/32/28/71/977322871.db2.gz JEDPNSQLTVHIBA-LPHOPBHVSA-N 1 2 364.436 2.980 20 30 FFEDLO CC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)CCCCCC1 ZINC001083531994 977358843 /nfs/dbraw/zinc/35/88/43/977358843.db2.gz RXXVRLZQQZOQFI-UXHICEINSA-N 1 2 354.494 2.560 20 30 FFEDLO CC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)CCCCCC1 ZINC001083531994 977358847 /nfs/dbraw/zinc/35/88/47/977358847.db2.gz RXXVRLZQQZOQFI-UXHICEINSA-N 1 2 354.494 2.560 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001087443224 977576478 /nfs/dbraw/zinc/57/64/78/977576478.db2.gz APMJFZSHGGWFPL-QZTJIDSGSA-N 1 2 353.491 2.981 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001087443224 977576485 /nfs/dbraw/zinc/57/64/85/977576485.db2.gz APMJFZSHGGWFPL-QZTJIDSGSA-N 1 2 353.491 2.981 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2noc(-c3ccc(OC)cc3)n2)cc1 ZINC000067098294 977688193 /nfs/dbraw/zinc/68/81/93/977688193.db2.gz XNOBFBWFAVHJRJ-UHFFFAOYSA-N 1 2 354.366 2.591 20 30 FFEDLO C=CCCc1ccccc1NC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000650181944 1014422434 /nfs/dbraw/zinc/42/24/34/1014422434.db2.gz GMVFYSUYYOQJGG-UHFFFAOYSA-N 1 2 361.486 2.618 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNc1nc(NC[C@@H]2CCO[C@H]2C=C)c(F)c(C)[nH+]1 ZINC000664031859 977902617 /nfs/dbraw/zinc/90/26/17/977902617.db2.gz JPGHQWWFIKVCOP-VGWMRTNUSA-N 1 2 362.449 2.930 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)c(C)cn3)[C@@H]2C1 ZINC001076074814 979089758 /nfs/dbraw/zinc/08/97/58/979089758.db2.gz UPEAQRNVAMJETC-GOEBONIOSA-N 1 2 364.287 2.753 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)c(C)cn3)[C@@H]2C1 ZINC001076074814 979089767 /nfs/dbraw/zinc/08/97/67/979089767.db2.gz UPEAQRNVAMJETC-GOEBONIOSA-N 1 2 364.287 2.753 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)cc3)[C@@H]2C1 ZINC001076095984 979111038 /nfs/dbraw/zinc/11/10/38/979111038.db2.gz WTRMXUKKBOIBLW-FUHWJXTLSA-N 1 2 356.857 2.771 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)cc3)[C@@H]2C1 ZINC001076095984 979111043 /nfs/dbraw/zinc/11/10/43/979111043.db2.gz WTRMXUKKBOIBLW-FUHWJXTLSA-N 1 2 356.857 2.771 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)c4nnc(C)s4)C[C@H]32)cc1 ZINC001076119130 979126850 /nfs/dbraw/zinc/12/68/50/979126850.db2.gz AHWSFOLIXTXUNH-DOPJRALCSA-N 1 2 366.490 2.735 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)c4nnc(C)s4)C[C@H]32)cc1 ZINC001076119130 979126854 /nfs/dbraw/zinc/12/68/54/979126854.db2.gz AHWSFOLIXTXUNH-DOPJRALCSA-N 1 2 366.490 2.735 20 30 FFEDLO COc1c(C)c[nH+]c(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1C ZINC000877340649 1014554232 /nfs/dbraw/zinc/55/42/32/1014554232.db2.gz LFDHASMYEYRRLM-ZBFHGGJFSA-N 1 2 360.458 2.556 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(C)c3CC)[C@@H]2C1 ZINC001076242849 979273783 /nfs/dbraw/zinc/27/37/83/979273783.db2.gz UHMCTMMZUKMSKY-XJKSGUPXSA-N 1 2 366.303 2.642 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(C)c3CC)[C@@H]2C1 ZINC001076242849 979273786 /nfs/dbraw/zinc/27/37/86/979273786.db2.gz UHMCTMMZUKMSKY-XJKSGUPXSA-N 1 2 366.303 2.642 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3c(Cl)nc4ccccn43)[C@@H]2C1 ZINC001076538307 979632871 /nfs/dbraw/zinc/63/28/71/979632871.db2.gz UPBBDWBSXAQMTM-QWHCGFSZSA-N 1 2 365.264 2.887 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3c(Cl)nc4ccccn43)[C@@H]2C1 ZINC001076538307 979632877 /nfs/dbraw/zinc/63/28/77/979632877.db2.gz UPBBDWBSXAQMTM-QWHCGFSZSA-N 1 2 365.264 2.887 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCCOC3)[C@@H]2C1 ZINC001076581141 979677711 /nfs/dbraw/zinc/67/77/11/979677711.db2.gz VUKNLWVDPAZKGJ-RIFZZMRRSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCCOC3)[C@@H]2C1 ZINC001076581141 979677715 /nfs/dbraw/zinc/67/77/15/979677715.db2.gz VUKNLWVDPAZKGJ-RIFZZMRRSA-N 1 2 371.456 2.547 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)[C@@H]2C1 ZINC001076623259 979734937 /nfs/dbraw/zinc/73/49/37/979734937.db2.gz NFQSGGKKDCEQOZ-XHMLNNKLSA-N 1 2 365.315 2.720 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)[C@@H]2C1 ZINC001076623259 979734941 /nfs/dbraw/zinc/73/49/41/979734941.db2.gz NFQSGGKKDCEQOZ-XHMLNNKLSA-N 1 2 365.315 2.720 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3c(C)cccc3C)[C@@H]2C1 ZINC001076644053 979748591 /nfs/dbraw/zinc/74/85/91/979748591.db2.gz BTUVMBZVWZBHQG-JKSUJKDBSA-N 1 2 361.873 2.527 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3c(C)cccc3C)[C@@H]2C1 ZINC001076644053 979748596 /nfs/dbraw/zinc/74/85/96/979748596.db2.gz BTUVMBZVWZBHQG-JKSUJKDBSA-N 1 2 361.873 2.527 20 30 FFEDLO Cc1ccccc1[C@@H](O)C1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000796431811 1014616458 /nfs/dbraw/zinc/61/64/58/1014616458.db2.gz RZRVIQHIJPVQRU-SFTDATJTSA-N 1 2 363.461 2.839 20 30 FFEDLO CC(C)c1ccccc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077095783 979996878 /nfs/dbraw/zinc/99/68/78/979996878.db2.gz JMHUDRYBPGAGHR-FGZHOGPDSA-N 1 2 362.473 2.637 20 30 FFEDLO CC(C)c1ccccc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077095783 979996883 /nfs/dbraw/zinc/99/68/83/979996883.db2.gz JMHUDRYBPGAGHR-FGZHOGPDSA-N 1 2 362.473 2.637 20 30 FFEDLO CCc1ocnc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001088499464 980088779 /nfs/dbraw/zinc/08/87/79/980088779.db2.gz CDTYZOAHLLYXBC-WBMJQRKESA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1ocnc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001088499464 980088786 /nfs/dbraw/zinc/08/87/86/980088786.db2.gz CDTYZOAHLLYXBC-WBMJQRKESA-N 1 2 356.401 2.641 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001077370167 980136091 /nfs/dbraw/zinc/13/60/91/980136091.db2.gz DEGJJMROTAXNCQ-NCXUSEDFSA-N 1 2 374.912 2.535 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001077370167 980136093 /nfs/dbraw/zinc/13/60/93/980136093.db2.gz DEGJJMROTAXNCQ-NCXUSEDFSA-N 1 2 374.912 2.535 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1ccn(C2CCCC2)n1 ZINC001088513519 980376907 /nfs/dbraw/zinc/37/69/07/980376907.db2.gz VWQRZQYYSUOMNW-KDOFPFPSSA-N 1 2 366.469 2.591 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1ccn(C2CCCC2)n1 ZINC001088513519 980376914 /nfs/dbraw/zinc/37/69/14/980376914.db2.gz VWQRZQYYSUOMNW-KDOFPFPSSA-N 1 2 366.469 2.591 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(N(C)S(C)(=O)=O)c1 ZINC000897415027 980472905 /nfs/dbraw/zinc/47/29/05/980472905.db2.gz QVHUPUXMRCKOFM-UHFFFAOYSA-N 1 2 373.478 2.882 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC2=CCCCC2)cc1C#N ZINC001272077774 981154206 /nfs/dbraw/zinc/15/42/06/981154206.db2.gz IGRIDJULMJCTKH-KDURUIRLSA-N 1 2 352.482 2.962 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC2=CCCCC2)cc1C#N ZINC001272077774 981154208 /nfs/dbraw/zinc/15/42/08/981154208.db2.gz IGRIDJULMJCTKH-KDURUIRLSA-N 1 2 352.482 2.962 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[C@@H](C)C(C)C ZINC001212004449 981449407 /nfs/dbraw/zinc/44/94/07/981449407.db2.gz GDMMGSOSXQIODC-NIKGAXFTSA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[C@@H](C)C(C)C ZINC001212004449 981449410 /nfs/dbraw/zinc/44/94/10/981449410.db2.gz GDMMGSOSXQIODC-NIKGAXFTSA-N 1 2 361.461 2.695 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1c[nH]c2cc[nH+]cc12 ZINC001272122951 981691712 /nfs/dbraw/zinc/69/17/12/981691712.db2.gz HQMITMAEJVCGKZ-FQEVSTJZSA-N 1 2 352.438 2.736 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)Cc2ccc(F)cn2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088673153 982268304 /nfs/dbraw/zinc/26/83/04/982268304.db2.gz XEMBXYIYYJRPFM-YJYMSZOUSA-N 1 2 370.403 2.553 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)Cc2ccc(F)cn2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088673153 982268309 /nfs/dbraw/zinc/26/83/09/982268309.db2.gz XEMBXYIYYJRPFM-YJYMSZOUSA-N 1 2 370.403 2.553 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)c1ccccc1 ZINC000760398406 982391360 /nfs/dbraw/zinc/39/13/60/982391360.db2.gz PCCLZFYDPFJYEX-HXUWFJFHSA-N 1 2 374.444 2.965 20 30 FFEDLO CCC(=CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC)CC ZINC001212109617 982726333 /nfs/dbraw/zinc/72/63/33/982726333.db2.gz VHCZTPCEPLRZDW-RTBURBONSA-N 1 2 359.445 2.759 20 30 FFEDLO CCC(=CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC)CC ZINC001212109617 982726340 /nfs/dbraw/zinc/72/63/40/982726340.db2.gz VHCZTPCEPLRZDW-RTBURBONSA-N 1 2 359.445 2.759 20 30 FFEDLO CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000878310397 1014980341 /nfs/dbraw/zinc/98/03/41/1014980341.db2.gz LSVDUBPTEROFLV-WOJBJXKFSA-N 1 2 356.514 2.902 20 30 FFEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000671344588 984008357 /nfs/dbraw/zinc/00/83/57/984008357.db2.gz RTKNVNBWRPXTGH-UHFFFAOYSA-N 1 2 374.444 2.703 20 30 FFEDLO C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncc(Cl)s1)CC2 ZINC001107330547 984450904 /nfs/dbraw/zinc/45/09/04/984450904.db2.gz CBTSODPMRVOBIT-CXAGYDPISA-N 1 2 369.918 2.860 20 30 FFEDLO C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncc(Cl)s1)CC2 ZINC001107330547 984450907 /nfs/dbraw/zinc/45/09/07/984450907.db2.gz CBTSODPMRVOBIT-CXAGYDPISA-N 1 2 369.918 2.860 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000761115274 984801785 /nfs/dbraw/zinc/80/17/85/984801785.db2.gz QKWHUSKFQMUIRM-ZDUSSCGKSA-N 1 2 354.360 2.955 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001060773637 984870982 /nfs/dbraw/zinc/87/09/82/984870982.db2.gz UEGJGTRBVSRHLB-KLHDSHLOSA-N 1 2 358.486 2.517 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001060773637 984870997 /nfs/dbraw/zinc/87/09/97/984870997.db2.gz UEGJGTRBVSRHLB-KLHDSHLOSA-N 1 2 358.486 2.517 20 30 FFEDLO CCc1ncoc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088845080 984962831 /nfs/dbraw/zinc/96/28/31/984962831.db2.gz LQPSYNAQDJBRGN-PXAZEXFGSA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1ncoc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088845080 984962841 /nfs/dbraw/zinc/96/28/41/984962841.db2.gz LQPSYNAQDJBRGN-PXAZEXFGSA-N 1 2 356.401 2.641 20 30 FFEDLO Cc1ncccc1CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001088856672 985044418 /nfs/dbraw/zinc/04/44/18/985044418.db2.gz AOWYFGOTHYSURC-QRWLVFNGSA-N 1 2 366.440 2.723 20 30 FFEDLO Cc1ncccc1CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001088856672 985044429 /nfs/dbraw/zinc/04/44/29/985044429.db2.gz AOWYFGOTHYSURC-QRWLVFNGSA-N 1 2 366.440 2.723 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc3cc(C)ccc3s2)C[C@H]1OC ZINC001212186991 985111545 /nfs/dbraw/zinc/11/15/45/985111545.db2.gz GILSDFHXGTVMHE-IAGOWNOFSA-N 1 2 371.506 2.724 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nc3cc(C)ccc3s2)C[C@H]1OC ZINC001212186991 985111548 /nfs/dbraw/zinc/11/15/48/985111548.db2.gz GILSDFHXGTVMHE-IAGOWNOFSA-N 1 2 371.506 2.724 20 30 FFEDLO CC(C)n1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)n1 ZINC001088894011 985355274 /nfs/dbraw/zinc/35/52/74/985355274.db2.gz FZFYLXUUOFGXSV-KDOFPFPSSA-N 1 2 369.444 2.868 20 30 FFEDLO CC(C)n1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)n1 ZINC001088894011 985355282 /nfs/dbraw/zinc/35/52/82/985355282.db2.gz FZFYLXUUOFGXSV-KDOFPFPSSA-N 1 2 369.444 2.868 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2csc3cncn32)CC[N@@H+]1Cc1ccccc1C#N ZINC001088895672 985358090 /nfs/dbraw/zinc/35/80/90/985358090.db2.gz QADJJLMEIGESJU-CJNGLKHVSA-N 1 2 365.462 2.660 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2csc3cncn32)CC[N@H+]1Cc1ccccc1C#N ZINC001088895672 985358095 /nfs/dbraw/zinc/35/80/95/985358095.db2.gz QADJJLMEIGESJU-CJNGLKHVSA-N 1 2 365.462 2.660 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[NH+]1CCN(c2cnccc2C#N)CC1)c1ccccc1 ZINC000878641964 1015147056 /nfs/dbraw/zinc/14/70/56/1015147056.db2.gz JIZKDCMPUSUZHV-QFIPXVFZSA-N 1 2 373.460 2.516 20 30 FFEDLO C[C@@H]1Cc2ccccc2C[N@@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000172927000 985714203 /nfs/dbraw/zinc/71/42/03/985714203.db2.gz BCASKSCBYKHKDW-IVZQSRNASA-N 1 2 374.444 2.730 20 30 FFEDLO C[C@@H]1Cc2ccccc2C[N@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000172927000 985714213 /nfs/dbraw/zinc/71/42/13/985714213.db2.gz BCASKSCBYKHKDW-IVZQSRNASA-N 1 2 374.444 2.730 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC000997820910 985761709 /nfs/dbraw/zinc/76/17/09/985761709.db2.gz UQCOJHUJJGUFMR-MXTNKPTQSA-N 1 2 372.513 2.777 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(O)ccc3Cl)[C@@H]2C)cn1 ZINC001088991144 985798142 /nfs/dbraw/zinc/79/81/42/985798142.db2.gz KOMIKNVTAWWKHK-YJYMSZOUSA-N 1 2 369.852 2.815 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(O)ccc3Cl)[C@@H]2C)cn1 ZINC001088991144 985798149 /nfs/dbraw/zinc/79/81/49/985798149.db2.gz KOMIKNVTAWWKHK-YJYMSZOUSA-N 1 2 369.852 2.815 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088997855 985858789 /nfs/dbraw/zinc/85/87/89/985858789.db2.gz NKQCMQPYIMSZPQ-YGRLFVJLSA-N 1 2 362.792 2.732 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088997855 985858799 /nfs/dbraw/zinc/85/87/99/985858799.db2.gz NKQCMQPYIMSZPQ-YGRLFVJLSA-N 1 2 362.792 2.732 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cn1c2cc(C)ccc2oc1=O ZINC000063730050 986024024 /nfs/dbraw/zinc/02/40/24/986024024.db2.gz MKLGNUOLMFCNTG-UHFFFAOYSA-N 1 2 351.406 2.881 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cn1c2cc(C)ccc2oc1=O ZINC000063730050 986024036 /nfs/dbraw/zinc/02/40/36/986024036.db2.gz MKLGNUOLMFCNTG-UHFFFAOYSA-N 1 2 351.406 2.881 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001089034848 986042528 /nfs/dbraw/zinc/04/25/28/986042528.db2.gz TZQFOIHQQDXICG-XIKOKIGWSA-N 1 2 370.428 2.949 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001089034848 986042542 /nfs/dbraw/zinc/04/25/42/986042542.db2.gz TZQFOIHQQDXICG-XIKOKIGWSA-N 1 2 370.428 2.949 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001007359611 1015193922 /nfs/dbraw/zinc/19/39/22/1015193922.db2.gz GCZDTIVSNKFCRE-NSHGMRRFSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001007359611 1015193925 /nfs/dbraw/zinc/19/39/25/1015193925.db2.gz GCZDTIVSNKFCRE-NSHGMRRFSA-N 1 2 371.456 2.759 20 30 FFEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[C@H]2C2CCC2)cc1C#N ZINC001032676190 986422778 /nfs/dbraw/zinc/42/27/78/986422778.db2.gz IMXQYLKZERVMDF-LWYYNNOASA-N 1 2 365.477 2.788 20 30 FFEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[C@H]2C2CCC2)cc1C#N ZINC001032676190 986422784 /nfs/dbraw/zinc/42/27/84/986422784.db2.gz IMXQYLKZERVMDF-LWYYNNOASA-N 1 2 365.477 2.788 20 30 FFEDLO C#Cc1cncc(C(=O)NC2C[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C2)c1 ZINC001030928586 986764701 /nfs/dbraw/zinc/76/47/01/986764701.db2.gz ZWBRFXLZDJMJDK-OALUTQOASA-N 1 2 367.399 2.526 20 30 FFEDLO CCOCc1ccc(CNC(=O)CO[NH+]=C(N)Cc2ccccc2C)cc1 ZINC000152044825 986994307 /nfs/dbraw/zinc/99/43/07/986994307.db2.gz WVESBNJXUMTBKX-UHFFFAOYSA-N 1 2 369.465 2.679 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001066875907 1015282293 /nfs/dbraw/zinc/28/22/93/1015282293.db2.gz FDAULUQXKMXGPA-LVCYWYKZSA-N 1 2 370.497 2.585 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001060992864 987170193 /nfs/dbraw/zinc/17/01/93/987170193.db2.gz DGUCXGQPYXFAHW-BBWFWOEESA-N 1 2 358.486 2.760 20 30 FFEDLO CCCC[C@](C)(F)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212489258 987706803 /nfs/dbraw/zinc/70/68/03/987706803.db2.gz KXBBWFGVMYTAQX-SBHAEUEKSA-N 1 2 360.473 2.772 20 30 FFEDLO CCCC[C@](C)(F)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212489258 987706807 /nfs/dbraw/zinc/70/68/07/987706807.db2.gz KXBBWFGVMYTAQX-SBHAEUEKSA-N 1 2 360.473 2.772 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001003700201 988229216 /nfs/dbraw/zinc/22/92/16/988229216.db2.gz KRFLPDACXRMNMP-ZACQAIPSSA-N 1 2 372.513 2.777 20 30 FFEDLO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(-c3nnc[nH]3)c2)C[C@H]1C ZINC001106513711 988316084 /nfs/dbraw/zinc/31/60/84/988316084.db2.gz KYYODXWPANSEPX-MLGOLLRUSA-N 1 2 359.861 2.522 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106610553 988496485 /nfs/dbraw/zinc/49/64/85/988496485.db2.gz OHZAFBARFLYFFY-XYPHTWIQSA-N 1 2 358.486 2.950 20 30 FFEDLO CCCOc1ccc(CNC(=O)CO[NH+]=C(N)c2ccc(F)cc2)cc1 ZINC000762665751 988565578 /nfs/dbraw/zinc/56/55/78/988565578.db2.gz SDXJMZZDZKRTAM-UHFFFAOYSA-N 1 2 359.401 2.568 20 30 FFEDLO Cc1cccc(OCCCNC(=O)CO[NH+]=C(N)c2ccc(F)c(C)c2)c1 ZINC000762709407 988596469 /nfs/dbraw/zinc/59/64/69/988596469.db2.gz NNMPXXDDIQVBPN-UHFFFAOYSA-N 1 2 373.428 2.665 20 30 FFEDLO C[C@H]1CN(c2ccccc2C=[NH+]NC(=S)NCc2ccccc2)CCO1 ZINC000915943132 989715774 /nfs/dbraw/zinc/71/57/74/989715774.db2.gz TZYFVPQHWVIMQI-INIZCTEOSA-N 1 2 368.506 2.910 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001033838873 989752055 /nfs/dbraw/zinc/75/20/55/989752055.db2.gz UQIXTGOTARDAJD-LMMKCTJWSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001033838873 989752060 /nfs/dbraw/zinc/75/20/60/989752060.db2.gz UQIXTGOTARDAJD-LMMKCTJWSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001034213255 989967874 /nfs/dbraw/zinc/96/78/74/989967874.db2.gz ROBRDUUQYYNVLJ-KURKYZTESA-N 1 2 361.486 2.743 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001034213255 989967877 /nfs/dbraw/zinc/96/78/77/989967877.db2.gz ROBRDUUQYYNVLJ-KURKYZTESA-N 1 2 361.486 2.743 20 30 FFEDLO N#Cc1ccc(CNC(=O)N2CCC(Nc3cccc[nH+]3)CC2)c(F)c1 ZINC000917056409 990108820 /nfs/dbraw/zinc/10/88/20/990108820.db2.gz RWXPTSUDXDQJHP-UHFFFAOYSA-N 1 2 353.401 2.878 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ccc(F)c(F)c3)C[C@@H]2O)C1 ZINC001083758594 990594311 /nfs/dbraw/zinc/59/43/11/990594311.db2.gz KBQNFQTWPANUGM-JLZZUVOBSA-N 1 2 350.409 2.543 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ccc(F)c(F)c3)C[C@@H]2O)C1 ZINC001083758594 990594315 /nfs/dbraw/zinc/59/43/15/990594315.db2.gz KBQNFQTWPANUGM-JLZZUVOBSA-N 1 2 350.409 2.543 20 30 FFEDLO C#CCCCCNC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000154964341 990627067 /nfs/dbraw/zinc/62/70/67/990627067.db2.gz FYFDETIZXADEKS-LJQANCHMSA-N 1 2 357.498 2.722 20 30 FFEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)N1CCc2ccccc21 ZINC000920758584 990915272 /nfs/dbraw/zinc/91/52/72/990915272.db2.gz KHVZCEFMLOZPPU-GOSISDBHSA-N 1 2 374.488 2.654 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001006015737 991013626 /nfs/dbraw/zinc/01/36/26/991013626.db2.gz JDEWHGMKNQPEAF-UXHICEINSA-N 1 2 371.456 2.711 20 30 FFEDLO CC#CCCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001079036397 991144763 /nfs/dbraw/zinc/14/47/63/991144763.db2.gz DKGOCRJGPVWFAF-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO CC#CCCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001079036397 991144764 /nfs/dbraw/zinc/14/47/64/991144764.db2.gz DKGOCRJGPVWFAF-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2Nc2cc[nH+]c(C)n2)CC1 ZINC001090284051 991187021 /nfs/dbraw/zinc/18/70/21/991187021.db2.gz OMVGIUNUNYSDCW-XLIONFOSSA-N 1 2 358.486 2.949 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ncc(CC)o2)CC1 ZINC001006126495 991216755 /nfs/dbraw/zinc/21/67/55/991216755.db2.gz GVEFLQQCHMSIOS-HKUYNNGSSA-N 1 2 361.486 2.641 20 30 FFEDLO N#Cc1cnc(NC[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c(Cl)c1 ZINC001063577583 991510404 /nfs/dbraw/zinc/51/04/04/991510404.db2.gz BPZHWKHQABDOLG-MGPQQGTHSA-N 1 2 370.844 2.536 20 30 FFEDLO N#Cc1cnc(NC[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c(Cl)c1 ZINC001063577583 991510411 /nfs/dbraw/zinc/51/04/11/991510411.db2.gz BPZHWKHQABDOLG-MGPQQGTHSA-N 1 2 370.844 2.536 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)c(C)s2)C[C@H]1OC ZINC001212320910 991670459 /nfs/dbraw/zinc/67/04/59/991670459.db2.gz ITKIUWVBHIFJRZ-IAGOWNOFSA-N 1 2 363.527 2.844 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2nc(C)c(C)s2)C[C@H]1OC ZINC001212320910 991670461 /nfs/dbraw/zinc/67/04/61/991670461.db2.gz ITKIUWVBHIFJRZ-IAGOWNOFSA-N 1 2 363.527 2.844 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001212321038 991670562 /nfs/dbraw/zinc/67/05/62/991670562.db2.gz PBZOOHOGVQDXKB-WOJBJXKFSA-N 1 2 371.456 2.781 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001212321038 991670571 /nfs/dbraw/zinc/67/05/71/991670571.db2.gz PBZOOHOGVQDXKB-WOJBJXKFSA-N 1 2 371.456 2.781 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]21 ZINC001090320180 991711239 /nfs/dbraw/zinc/71/12/39/991711239.db2.gz BHHQYJDMDASQSY-DLBZAZTESA-N 1 2 358.486 2.538 20 30 FFEDLO C#CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)CC[C@H]1c1ccc(F)cc1 ZINC001079153775 991820326 /nfs/dbraw/zinc/82/03/26/991820326.db2.gz ZSKJQBFUXHHXGU-RRFJBIMHSA-N 1 2 360.326 2.633 20 30 FFEDLO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)CC[C@H]1c1ccc(F)cc1 ZINC001079153775 991820334 /nfs/dbraw/zinc/82/03/34/991820334.db2.gz ZSKJQBFUXHHXGU-RRFJBIMHSA-N 1 2 360.326 2.633 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1nc(C)c(C)s1 ZINC001485361404 991918451 /nfs/dbraw/zinc/91/84/51/991918451.db2.gz FGFFVSQMKJCBOE-PVUWLOKVSA-N 1 2 351.516 2.678 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1nc(C)c(C)s1 ZINC001485361404 991918456 /nfs/dbraw/zinc/91/84/56/991918456.db2.gz FGFFVSQMKJCBOE-PVUWLOKVSA-N 1 2 351.516 2.678 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ncc(C)o2)CC1(C)C ZINC000940753941 992142414 /nfs/dbraw/zinc/14/24/14/992142414.db2.gz RDIQWSGSWNPTHN-IXDOHACOSA-N 1 2 361.486 2.681 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ncc(C)o2)CC1(C)C ZINC000940753941 992142419 /nfs/dbraw/zinc/14/24/19/992142419.db2.gz RDIQWSGSWNPTHN-IXDOHACOSA-N 1 2 361.486 2.681 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C[C@H]1CCOC1 ZINC001079513531 992178884 /nfs/dbraw/zinc/17/88/84/992178884.db2.gz ABHVRJXCKFHFFI-GPMSIDNRSA-N 1 2 360.885 2.555 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C[C@H]1CCOC1 ZINC001079513531 992178889 /nfs/dbraw/zinc/17/88/89/992178889.db2.gz ABHVRJXCKFHFFI-GPMSIDNRSA-N 1 2 360.885 2.555 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@@H]1CC1(F)F ZINC001079667121 992325150 /nfs/dbraw/zinc/32/51/50/992325150.db2.gz MXESNVOFVFSTRW-IVMMDQJWSA-N 1 2 352.812 2.783 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@@H]1CC1(F)F ZINC001079667121 992325161 /nfs/dbraw/zinc/32/51/61/992325161.db2.gz MXESNVOFVFSTRW-IVMMDQJWSA-N 1 2 352.812 2.783 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(F)cccc2F)C[C@H]1C ZINC001079719935 992357811 /nfs/dbraw/zinc/35/78/11/992357811.db2.gz LSDVABBGQFOKPK-OHHBCXFOSA-N 1 2 364.436 2.883 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(F)cccc2F)C[C@H]1C ZINC001079719935 992357819 /nfs/dbraw/zinc/35/78/19/992357819.db2.gz LSDVABBGQFOKPK-OHHBCXFOSA-N 1 2 364.436 2.883 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1cnc(C2CC2)o1 ZINC001079872267 992515156 /nfs/dbraw/zinc/51/51/56/992515156.db2.gz FDMNXVWSGAGDKS-SJKOYZFVSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1cnc(C2CC2)o1 ZINC001079872267 992515166 /nfs/dbraw/zinc/51/51/66/992515166.db2.gz FDMNXVWSGAGDKS-SJKOYZFVSA-N 1 2 368.412 2.813 20 30 FFEDLO Cc1noc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2C)c1C ZINC001079927478 992579446 /nfs/dbraw/zinc/57/94/46/992579446.db2.gz ABMACUKARDLAAU-PIGZYNQJSA-N 1 2 356.401 2.553 20 30 FFEDLO Cc1noc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2C)c1C ZINC001079927478 992579455 /nfs/dbraw/zinc/57/94/55/992579455.db2.gz ABMACUKARDLAAU-PIGZYNQJSA-N 1 2 356.401 2.553 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008838483 1015726509 /nfs/dbraw/zinc/72/65/09/1015726509.db2.gz GRNWQUITPFAKSU-HKBOAZHASA-N 1 2 370.468 2.739 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008838483 1015726516 /nfs/dbraw/zinc/72/65/16/1015726516.db2.gz GRNWQUITPFAKSU-HKBOAZHASA-N 1 2 370.468 2.739 20 30 FFEDLO NC(Cc1ccccc1)=[NH+]OCC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000072001914 992712286 /nfs/dbraw/zinc/71/22/86/992712286.db2.gz BILPIUBRTYWRCI-UHFFFAOYSA-N 1 2 369.343 2.702 20 30 FFEDLO CC(=O)Nc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)NC1(C#N)CCCCC1)CC2 ZINC000880028507 1015737348 /nfs/dbraw/zinc/73/73/48/1015737348.db2.gz FRCPHJKMQGEFAI-OAHLLOKOSA-N 1 2 368.481 2.734 20 30 FFEDLO CC(=O)Nc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)NC1(C#N)CCCCC1)CC2 ZINC000880028507 1015737351 /nfs/dbraw/zinc/73/73/51/1015737351.db2.gz FRCPHJKMQGEFAI-OAHLLOKOSA-N 1 2 368.481 2.734 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC001080239300 992862576 /nfs/dbraw/zinc/86/25/76/992862576.db2.gz RQEVKGRENAWONH-QMTHXVAHSA-N 1 2 363.259 2.522 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC001080239300 992862583 /nfs/dbraw/zinc/86/25/83/992862583.db2.gz RQEVKGRENAWONH-QMTHXVAHSA-N 1 2 363.259 2.522 20 30 FFEDLO C=C1CCC(C(=O)N2CCCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000943335060 992981401 /nfs/dbraw/zinc/98/14/01/992981401.db2.gz DRVKRSOUQHHENI-RCCFBDPRSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CCC(C(=O)N2CCCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000943335060 992981412 /nfs/dbraw/zinc/98/14/12/992981412.db2.gz DRVKRSOUQHHENI-RCCFBDPRSA-N 1 2 370.497 2.757 20 30 FFEDLO CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)cn1 ZINC001080535560 993147154 /nfs/dbraw/zinc/14/71/54/993147154.db2.gz SAGFAOJEOUNEKZ-AUUYWEPGSA-N 1 2 369.444 2.554 20 30 FFEDLO CCCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)cn1 ZINC001080535560 993147159 /nfs/dbraw/zinc/14/71/59/993147159.db2.gz SAGFAOJEOUNEKZ-AUUYWEPGSA-N 1 2 369.444 2.554 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2nnc(-c3ccccc3)o2)cc1OC ZINC000072603071 993203391 /nfs/dbraw/zinc/20/33/91/993203391.db2.gz FQFTVGSMASDSIY-UHFFFAOYSA-N 1 2 354.366 2.591 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1scnc1Cl ZINC001080952986 993503594 /nfs/dbraw/zinc/50/35/94/993503594.db2.gz QOJFZUMILQZUEA-BXUZGUMPSA-N 1 2 360.870 2.918 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1scnc1Cl ZINC001080952986 993503597 /nfs/dbraw/zinc/50/35/97/993503597.db2.gz QOJFZUMILQZUEA-BXUZGUMPSA-N 1 2 360.870 2.918 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001080923643 993504157 /nfs/dbraw/zinc/50/41/57/993504157.db2.gz LJNWFURNHIYPIH-SJKOYZFVSA-N 1 2 370.428 2.807 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001080923643 993504159 /nfs/dbraw/zinc/50/41/59/993504159.db2.gz LJNWFURNHIYPIH-SJKOYZFVSA-N 1 2 370.428 2.807 20 30 FFEDLO CCc1ncc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)s1 ZINC001081026282 993553803 /nfs/dbraw/zinc/55/38/03/993553803.db2.gz YEKGHTRJAZTOHG-NVXWUHKLSA-N 1 2 353.491 2.807 20 30 FFEDLO CCc1ncc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)s1 ZINC001081026282 993553804 /nfs/dbraw/zinc/55/38/04/993553804.db2.gz YEKGHTRJAZTOHG-NVXWUHKLSA-N 1 2 353.491 2.807 20 30 FFEDLO CCc1ncc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)s1 ZINC001081027524 993553941 /nfs/dbraw/zinc/55/39/41/993553941.db2.gz VWNALDDANASFEO-CZUORRHYSA-N 1 2 354.479 2.827 20 30 FFEDLO CCc1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)s1 ZINC001081027524 993553947 /nfs/dbraw/zinc/55/39/47/993553947.db2.gz VWNALDDANASFEO-CZUORRHYSA-N 1 2 354.479 2.827 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CC1CCCCC1 ZINC001081325461 993777377 /nfs/dbraw/zinc/77/73/77/993777377.db2.gz IDSMMWSWDKBQJD-QZTJIDSGSA-N 1 2 361.511 2.906 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CC1CCCCC1 ZINC001081325461 993777387 /nfs/dbraw/zinc/77/73/87/993777387.db2.gz IDSMMWSWDKBQJD-QZTJIDSGSA-N 1 2 361.511 2.906 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC1CCCCC1 ZINC001081325399 993777571 /nfs/dbraw/zinc/77/75/71/993777571.db2.gz FPHLHOQILDHKKN-NHCUHLMSSA-N 1 2 354.494 2.824 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC1CCCCC1 ZINC001081325399 993777575 /nfs/dbraw/zinc/77/75/75/993777575.db2.gz FPHLHOQILDHKKN-NHCUHLMSSA-N 1 2 354.494 2.824 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[C@H]1C=CCCC1 ZINC001081847239 994018219 /nfs/dbraw/zinc/01/82/19/994018219.db2.gz YOUKAWHRZPRCLL-CWFSZBLJSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[C@H]1C=CCCC1 ZINC001081847239 994018225 /nfs/dbraw/zinc/01/82/25/994018225.db2.gz YOUKAWHRZPRCLL-CWFSZBLJSA-N 1 2 371.456 2.759 20 30 FFEDLO C[NH+]1CCN(c2ccc(C=[NH+]Nc3ccc(F)c(C(=O)[O-])c3)cc2)CC1 ZINC001598622321 994021603 /nfs/dbraw/zinc/02/16/03/994021603.db2.gz CCKHMNAMZDWJRQ-UHFFFAOYSA-N 1 2 356.401 2.722 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001081933879 994057044 /nfs/dbraw/zinc/05/70/44/994057044.db2.gz ZVUIHKSMOGLBLR-NCXUSEDFSA-N 1 2 355.482 2.556 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001081933879 994057054 /nfs/dbraw/zinc/05/70/54/994057054.db2.gz ZVUIHKSMOGLBLR-NCXUSEDFSA-N 1 2 355.482 2.556 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]2OC)cc1 ZINC001082013054 994109556 /nfs/dbraw/zinc/10/95/56/994109556.db2.gz XJJFDFFDLCEGEQ-WOJBJXKFSA-N 1 2 368.864 2.951 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]2OC)cc1 ZINC001082013054 994109559 /nfs/dbraw/zinc/10/95/59/994109559.db2.gz XJJFDFFDLCEGEQ-WOJBJXKFSA-N 1 2 368.864 2.951 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[C@H]1CC=CCC1 ZINC001082029075 994126947 /nfs/dbraw/zinc/12/69/47/994126947.db2.gz GYAIGYQIOCUWMW-CWFSZBLJSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[C@H]1CC=CCC1 ZINC001082029075 994126952 /nfs/dbraw/zinc/12/69/52/994126952.db2.gz GYAIGYQIOCUWMW-CWFSZBLJSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@H]1CC=CCC1 ZINC001082029669 994128191 /nfs/dbraw/zinc/12/81/91/994128191.db2.gz WKDKWPACDTYGRY-PWIZWCRZSA-N 1 2 353.466 2.620 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@H]1CC=CCC1 ZINC001082029669 994128197 /nfs/dbraw/zinc/12/81/97/994128197.db2.gz WKDKWPACDTYGRY-PWIZWCRZSA-N 1 2 353.466 2.620 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1csc(C)c1 ZINC001082238918 994291723 /nfs/dbraw/zinc/29/17/23/994291723.db2.gz QHVAJYCGZSZNRG-HZPDHXFCSA-N 1 2 361.492 2.619 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1csc(C)c1 ZINC001082238918 994291736 /nfs/dbraw/zinc/29/17/36/994291736.db2.gz QHVAJYCGZSZNRG-HZPDHXFCSA-N 1 2 361.492 2.619 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2COc3ccccc32)CC1=O ZINC000809144555 994424530 /nfs/dbraw/zinc/42/45/30/994424530.db2.gz DDABLSNHKLQDTI-AWEZNQCLSA-N 1 2 374.444 2.822 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cc(C)c(C)s1 ZINC001082361026 994454259 /nfs/dbraw/zinc/45/42/59/994454259.db2.gz GJPMEJFQHWFPAK-QZTJIDSGSA-N 1 2 369.490 2.866 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cc(C)c(C)s1 ZINC001082361026 994454268 /nfs/dbraw/zinc/45/42/68/994454268.db2.gz GJPMEJFQHWFPAK-QZTJIDSGSA-N 1 2 369.490 2.866 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1CC(C(C)(C)C)C1 ZINC001082392368 994524596 /nfs/dbraw/zinc/52/45/96/994524596.db2.gz FKGPSLDECOARKI-TZWRJOPASA-N 1 2 368.521 2.926 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1CC(C(C)(C)C)C1 ZINC001082392368 994524607 /nfs/dbraw/zinc/52/46/07/994524607.db2.gz FKGPSLDECOARKI-TZWRJOPASA-N 1 2 368.521 2.926 20 30 FFEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(OC)c3OC)CC2)cc1 ZINC000809555413 994545955 /nfs/dbraw/zinc/54/59/55/994545955.db2.gz IJBISXDMNOFZMB-UHFFFAOYSA-N 1 2 364.445 2.643 20 30 FFEDLO COc1ccccc1NC(=O)[C@@H](C#N)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810532917 994814265 /nfs/dbraw/zinc/81/42/65/994814265.db2.gz WMTYPWYIPFGRPX-DJJJIMSYSA-N 1 2 361.417 2.555 20 30 FFEDLO COc1ccccc1NC(=O)[C@@H](C#N)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810532917 994814274 /nfs/dbraw/zinc/81/42/74/994814274.db2.gz WMTYPWYIPFGRPX-DJJJIMSYSA-N 1 2 361.417 2.555 20 30 FFEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001082524229 994821990 /nfs/dbraw/zinc/82/19/90/994821990.db2.gz MDHVXPXMYQTTIV-OWYVNGRQSA-N 1 2 361.314 2.534 20 30 FFEDLO C#Cc1ccccc1CC(=O)OCC[N@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000810751251 994909857 /nfs/dbraw/zinc/90/98/57/994909857.db2.gz SAQHPHIVXCJMAO-GOSISDBHSA-N 1 2 357.450 2.560 20 30 FFEDLO C#Cc1ccccc1CC(=O)OCC[N@@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000810751251 994909869 /nfs/dbraw/zinc/90/98/69/994909869.db2.gz SAQHPHIVXCJMAO-GOSISDBHSA-N 1 2 357.450 2.560 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(Cc3ccccc3)o2)C1 ZINC001082686075 995256196 /nfs/dbraw/zinc/25/61/96/995256196.db2.gz UIJOGGOEOCOKTA-NVXWUHKLSA-N 1 2 368.481 2.809 20 30 FFEDLO O=C(/C=C/C1CC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001083033061 996030308 /nfs/dbraw/zinc/03/03/08/996030308.db2.gz BTOWUZGQHXLMEO-GSSTWSARSA-N 1 2 370.880 2.569 20 30 FFEDLO O=C(/C=C/C1CC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001083033061 996030309 /nfs/dbraw/zinc/03/03/09/996030309.db2.gz BTOWUZGQHXLMEO-GSSTWSARSA-N 1 2 370.880 2.569 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4CCCC45CC5)[C@H]3C2)s1 ZINC001083119573 996068683 /nfs/dbraw/zinc/06/86/83/996068683.db2.gz AHDIFPQMMXTSBA-FGTMMUONSA-N 1 2 371.506 2.612 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4CCCC45CC5)[C@H]3C2)s1 ZINC001083119573 996068688 /nfs/dbraw/zinc/06/86/88/996068688.db2.gz AHDIFPQMMXTSBA-FGTMMUONSA-N 1 2 371.506 2.612 20 30 FFEDLO CC(C)c1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)s1 ZINC001084101601 996252545 /nfs/dbraw/zinc/25/25/45/996252545.db2.gz SEALDROVGBDBDI-SJORKVTESA-N 1 2 369.490 2.718 20 30 FFEDLO CC(C)c1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)s1 ZINC001084101601 996252553 /nfs/dbraw/zinc/25/25/53/996252553.db2.gz SEALDROVGBDBDI-SJORKVTESA-N 1 2 369.490 2.718 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](Cc1ccccn1)C2 ZINC001054282067 1016017172 /nfs/dbraw/zinc/01/71/72/1016017172.db2.gz PSJOADUBHYHCIP-RTWAWAEBSA-N 1 2 363.461 2.805 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@H+](Cc1ccccn1)C2 ZINC001054282067 1016017182 /nfs/dbraw/zinc/01/71/82/1016017182.db2.gz PSJOADUBHYHCIP-RTWAWAEBSA-N 1 2 363.461 2.805 20 30 FFEDLO Cc1occc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084176444 996306687 /nfs/dbraw/zinc/30/66/87/996306687.db2.gz YWRTXLCUYZXFBW-DNVCBOLYSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1occc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084176444 996306690 /nfs/dbraw/zinc/30/66/90/996306690.db2.gz YWRTXLCUYZXFBW-DNVCBOLYSA-N 1 2 353.397 2.945 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CCc4ccco4)[C@@H]3C2)c(F)c1 ZINC001084182737 996314351 /nfs/dbraw/zinc/31/43/51/996314351.db2.gz IRZHPUXXAXGOPO-YLJYHZDGSA-N 1 2 367.424 2.956 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCc4ccco4)[C@@H]3C2)c(F)c1 ZINC001084182737 996314354 /nfs/dbraw/zinc/31/43/54/996314354.db2.gz IRZHPUXXAXGOPO-YLJYHZDGSA-N 1 2 367.424 2.956 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)cn1 ZINC001084190507 996322194 /nfs/dbraw/zinc/32/21/94/996322194.db2.gz FEGGBGNRBRLVJC-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)cn1 ZINC001084190507 996322199 /nfs/dbraw/zinc/32/21/99/996322199.db2.gz FEGGBGNRBRLVJC-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)COC4CCCC4)[C@@H]3C2)c1 ZINC001084208687 996343516 /nfs/dbraw/zinc/34/35/16/996343516.db2.gz JBYYKXIJHZEIBK-OXQOHEQNSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)COC4CCCC4)[C@@H]3C2)c1 ZINC001084208687 996343520 /nfs/dbraw/zinc/34/35/20/996343520.db2.gz JBYYKXIJHZEIBK-OXQOHEQNSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccnc(F)c4)[C@@H]3C2)cc1F ZINC001084224876 996372591 /nfs/dbraw/zinc/37/25/91/996372591.db2.gz QPRVQDHIVWKXTJ-SJLPKXTDSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccnc(F)c4)[C@@H]3C2)cc1F ZINC001084224876 996372593 /nfs/dbraw/zinc/37/25/93/996372593.db2.gz QPRVQDHIVWKXTJ-SJLPKXTDSA-N 1 2 368.387 2.578 20 30 FFEDLO Cc1ccn(C)c1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084304675 996436555 /nfs/dbraw/zinc/43/65/55/996436555.db2.gz SLBQZQQTHOWHKG-VQIMIIECSA-N 1 2 366.440 2.691 20 30 FFEDLO Cc1ccn(C)c1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084304675 996436557 /nfs/dbraw/zinc/43/65/57/996436557.db2.gz SLBQZQQTHOWHKG-VQIMIIECSA-N 1 2 366.440 2.691 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084409215 996554860 /nfs/dbraw/zinc/55/48/60/996554860.db2.gz PRLAPCZXMQKEIP-TZIWHRDSSA-N 1 2 360.461 2.892 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084409215 996554864 /nfs/dbraw/zinc/55/48/64/996554864.db2.gz PRLAPCZXMQKEIP-TZIWHRDSSA-N 1 2 360.461 2.892 20 30 FFEDLO O=C(c1cc2c[nH]ccc-2n1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084452509 996562769 /nfs/dbraw/zinc/56/27/69/996562769.db2.gz IGXDJQJNAHSCOO-XMSQKQJNSA-N 1 2 370.456 2.761 20 30 FFEDLO O=C(c1cc2c[nH]ccc-2n1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084452509 996562775 /nfs/dbraw/zinc/56/27/75/996562775.db2.gz IGXDJQJNAHSCOO-XMSQKQJNSA-N 1 2 370.456 2.761 20 30 FFEDLO CO[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21)C1CCC1 ZINC001084552890 996672112 /nfs/dbraw/zinc/67/21/12/996672112.db2.gz SYVVUCUJEBLTQZ-AHRSYUTCSA-N 1 2 371.456 2.545 20 30 FFEDLO CO[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21)C1CCC1 ZINC001084552890 996672117 /nfs/dbraw/zinc/67/21/17/996672117.db2.gz SYVVUCUJEBLTQZ-AHRSYUTCSA-N 1 2 371.456 2.545 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4cn[nH]c43)[C@@H]2C1 ZINC001084566419 996679850 /nfs/dbraw/zinc/67/98/50/996679850.db2.gz UULWKJGWRWUYND-UYAOXDASSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4cn[nH]c43)[C@@H]2C1 ZINC001084566419 996679856 /nfs/dbraw/zinc/67/98/56/996679856.db2.gz UULWKJGWRWUYND-UYAOXDASSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4c[nH]nc43)[C@@H]2C1 ZINC001084566419 996679858 /nfs/dbraw/zinc/67/98/58/996679858.db2.gz UULWKJGWRWUYND-UYAOXDASSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4c[nH]nc43)[C@@H]2C1 ZINC001084566419 996679861 /nfs/dbraw/zinc/67/98/61/996679861.db2.gz UULWKJGWRWUYND-UYAOXDASSA-N 1 2 371.444 2.781 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3cnc(C(F)(F)F)nc3)C[C@H]21 ZINC001084578212 996692673 /nfs/dbraw/zinc/69/26/73/996692673.db2.gz PWJRAHBYLCNAGI-ZIAGYGMSSA-N 1 2 368.403 2.740 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cnc(C(F)(F)F)nc3)C[C@H]21 ZINC001084578212 996692675 /nfs/dbraw/zinc/69/26/75/996692675.db2.gz PWJRAHBYLCNAGI-ZIAGYGMSSA-N 1 2 368.403 2.740 20 30 FFEDLO Cc1cocc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084584187 996697162 /nfs/dbraw/zinc/69/71/62/996697162.db2.gz LWWZGDFRHOVHMT-YLJYHZDGSA-N 1 2 352.409 2.925 20 30 FFEDLO Cc1cocc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084584187 996697166 /nfs/dbraw/zinc/69/71/66/996697166.db2.gz LWWZGDFRHOVHMT-YLJYHZDGSA-N 1 2 352.409 2.925 20 30 FFEDLO Cc1ncccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084618701 996733180 /nfs/dbraw/zinc/73/31/80/996733180.db2.gz BDMUKVMKOOXLGP-OXQOHEQNSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1ncccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084618701 996733183 /nfs/dbraw/zinc/73/31/83/996733183.db2.gz BDMUKVMKOOXLGP-OXQOHEQNSA-N 1 2 364.424 2.747 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC45CCC5)[C@@H]3C2)c(F)c1 ZINC001084689638 996916058 /nfs/dbraw/zinc/91/60/58/996916058.db2.gz MJVIOWCQAODBTF-ZIFCJYIRSA-N 1 2 353.441 2.920 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC45CCC5)[C@@H]3C2)c(F)c1 ZINC001084689638 996916070 /nfs/dbraw/zinc/91/60/70/996916070.db2.gz MJVIOWCQAODBTF-ZIFCJYIRSA-N 1 2 353.441 2.920 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]4C4CC4)[C@@H]3C2)c(F)c1 ZINC001084713208 997035693 /nfs/dbraw/zinc/03/56/93/997035693.db2.gz PGZISWDGFVZCQT-AJYBTWMASA-N 1 2 353.441 2.776 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]4C4CC4)[C@@H]3C2)c(F)c1 ZINC001084713208 997035703 /nfs/dbraw/zinc/03/57/03/997035703.db2.gz PGZISWDGFVZCQT-AJYBTWMASA-N 1 2 353.441 2.776 20 30 FFEDLO C=CCOC[C@H]1c2nnn(CC)c2CCN1Cc1c[nH+]c2c(C)cccn12 ZINC001136961851 997130595 /nfs/dbraw/zinc/13/05/95/997130595.db2.gz PRTQEEZFOAJLHT-SFHVURJKSA-N 1 2 366.469 2.556 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cccc5[nH]cnc54)[C@@H]3C2)cc1 ZINC001084735215 997137559 /nfs/dbraw/zinc/13/75/59/997137559.db2.gz BBXKLZKLKRCLFJ-YLJYHZDGSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cccc5[nH]cnc54)[C@@H]3C2)cc1 ZINC001084735215 997137565 /nfs/dbraw/zinc/13/75/65/997137565.db2.gz BBXKLZKLKRCLFJ-YLJYHZDGSA-N 1 2 371.444 2.781 20 30 FFEDLO CCCc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)no1 ZINC001084750769 997188335 /nfs/dbraw/zinc/18/83/35/997188335.db2.gz DAVRTGZFOMJSCR-YLJYHZDGSA-N 1 2 364.449 2.845 20 30 FFEDLO CCCc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)no1 ZINC001084750769 997188338 /nfs/dbraw/zinc/18/83/38/997188338.db2.gz DAVRTGZFOMJSCR-YLJYHZDGSA-N 1 2 364.449 2.845 20 30 FFEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)c3ncc(C)o3)C[C@H]21 ZINC001084798158 997406476 /nfs/dbraw/zinc/40/64/76/997406476.db2.gz CIJTYZGRIBZLGA-PWIZWCRZSA-N 1 2 363.461 2.801 20 30 FFEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)c3ncc(C)o3)C[C@H]21 ZINC001084798158 997406483 /nfs/dbraw/zinc/40/64/83/997406483.db2.gz CIJTYZGRIBZLGA-PWIZWCRZSA-N 1 2 363.461 2.801 20 30 FFEDLO CCc1onc(C)c1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084823521 997553282 /nfs/dbraw/zinc/55/32/82/997553282.db2.gz DHPOLTILUPSAAG-RTBURBONSA-N 1 2 363.461 2.743 20 30 FFEDLO CCc1onc(C)c1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084823521 997553290 /nfs/dbraw/zinc/55/32/90/997553290.db2.gz DHPOLTILUPSAAG-RTBURBONSA-N 1 2 363.461 2.743 20 30 FFEDLO Cc1c[nH]cc1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084829286 997571760 /nfs/dbraw/zinc/57/17/60/997571760.db2.gz YMUXOOORTIHARL-DNVCBOLYSA-N 1 2 352.413 2.680 20 30 FFEDLO Cc1c[nH]cc1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084829286 997571765 /nfs/dbraw/zinc/57/17/65/997571765.db2.gz YMUXOOORTIHARL-DNVCBOLYSA-N 1 2 352.413 2.680 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccn(CC)n3)C[C@H]21)c1ccccc1 ZINC001084847166 997632842 /nfs/dbraw/zinc/63/28/42/997632842.db2.gz MAUDEFWINUFBCN-HLAWJBBLSA-N 1 2 364.493 2.906 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccn(CC)n3)C[C@H]21)c1ccccc1 ZINC001084847166 997632845 /nfs/dbraw/zinc/63/28/45/997632845.db2.gz MAUDEFWINUFBCN-HLAWJBBLSA-N 1 2 364.493 2.906 20 30 FFEDLO C[C@@H](c1c(F)cccc1F)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001206095777 1032141579 /nfs/dbraw/zinc/14/15/79/1032141579.db2.gz FIEYRYZXVCYNST-TYNCELHUSA-N 1 2 353.438 2.719 20 30 FFEDLO C[C@@H](c1c(F)cccc1F)[N@H+]1C[C@@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001206095777 1032141585 /nfs/dbraw/zinc/14/15/85/1032141585.db2.gz FIEYRYZXVCYNST-TYNCELHUSA-N 1 2 353.438 2.719 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C)n3)C[C@@H]21 ZINC001084889805 997883893 /nfs/dbraw/zinc/88/38/93/997883893.db2.gz HZIWYHBVLZOZFE-ZBFHGGJFSA-N 1 2 364.287 2.835 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C)n3)C[C@@H]21 ZINC001084889805 997883899 /nfs/dbraw/zinc/88/38/99/997883899.db2.gz HZIWYHBVLZOZFE-ZBFHGGJFSA-N 1 2 364.287 2.835 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4cncs4)C[C@@H]32)c1 ZINC001084898390 997937150 /nfs/dbraw/zinc/93/71/50/997937150.db2.gz KMKKAYUMETVNEG-PBHICJAKSA-N 1 2 370.453 2.890 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CCN(C(=O)c4cncs4)C[C@@H]32)c1 ZINC001084898390 997937162 /nfs/dbraw/zinc/93/71/62/997937162.db2.gz KMKKAYUMETVNEG-PBHICJAKSA-N 1 2 370.453 2.890 20 30 FFEDLO N#Cc1cncc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)c1 ZINC001144076131 997992210 /nfs/dbraw/zinc/99/22/10/997992210.db2.gz ZZHCEJIQNQCCSO-PZJWPPBQSA-N 1 2 364.449 2.798 20 30 FFEDLO N#Cc1cncc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)c1 ZINC001144076131 997992221 /nfs/dbraw/zinc/99/22/21/997992221.db2.gz ZZHCEJIQNQCCSO-PZJWPPBQSA-N 1 2 364.449 2.798 20 30 FFEDLO O=C(c1cocn1)N1CC[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC001084904725 997998157 /nfs/dbraw/zinc/99/81/57/997998157.db2.gz XRMAEERAYPBSJM-APWZRJJASA-N 1 2 369.852 2.916 20 30 FFEDLO O=C(c1cocn1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC001084904725 997998168 /nfs/dbraw/zinc/99/81/68/997998168.db2.gz XRMAEERAYPBSJM-APWZRJJASA-N 1 2 369.852 2.916 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N1CC[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@H]2C1 ZINC001084907481 998009330 /nfs/dbraw/zinc/00/93/30/998009330.db2.gz SXQUJTWBPDRTBR-QAPCUYQASA-N 1 2 353.466 2.596 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@H]2C1 ZINC001084907481 998009337 /nfs/dbraw/zinc/00/93/37/998009337.db2.gz SXQUJTWBPDRTBR-QAPCUYQASA-N 1 2 353.466 2.596 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cscn3)[C@H]2C1 ZINC001084943072 998236640 /nfs/dbraw/zinc/23/66/40/998236640.db2.gz FJHYTLYKFRXROY-BGTYHANMSA-N 1 2 361.511 2.547 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cscn3)[C@H]2C1 ZINC001084943072 998236648 /nfs/dbraw/zinc/23/66/48/998236648.db2.gz FJHYTLYKFRXROY-BGTYHANMSA-N 1 2 361.511 2.547 20 30 FFEDLO O=C(C(F)C(F)(F)F)N1CC[C@H]2CC[N@H+](CCC(F)(F)F)[C@H]2C1 ZINC001084945730 998263721 /nfs/dbraw/zinc/26/37/21/998263721.db2.gz PPQGHBYAUVHPCK-UTLUCORTSA-N 1 2 350.278 2.762 20 30 FFEDLO O=C(C(F)C(F)(F)F)N1CC[C@H]2CC[N@@H+](CCC(F)(F)F)[C@H]2C1 ZINC001084945730 998263727 /nfs/dbraw/zinc/26/37/27/998263727.db2.gz PPQGHBYAUVHPCK-UTLUCORTSA-N 1 2 350.278 2.762 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC000845278661 998462549 /nfs/dbraw/zinc/46/25/49/998462549.db2.gz WFFWAIPRPBDNQB-QGZVFWFLSA-N 1 2 368.437 2.941 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001000131574 1016238143 /nfs/dbraw/zinc/23/81/43/1016238143.db2.gz GSBRCPBUJIHNLX-HFTRVMKXSA-N 1 2 364.449 2.781 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000734167688 999218629 /nfs/dbraw/zinc/21/86/29/999218629.db2.gz ZSMPVODFEAVRCO-UHFFFAOYSA-N 1 2 360.417 2.884 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@@H]2CCCN(c3cc(C)ccc3F)C2=O)cc1 ZINC000735669585 999470818 /nfs/dbraw/zinc/47/08/18/999470818.db2.gz QVGCNIPOYALAMM-GOSISDBHSA-N 1 2 371.412 2.975 20 30 FFEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001085736868 999617364 /nfs/dbraw/zinc/61/73/64/999617364.db2.gz XIUBTYPKXSUKMR-NSHGMRRFSA-N 1 2 371.456 2.545 20 30 FFEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001085736868 999617366 /nfs/dbraw/zinc/61/73/66/999617366.db2.gz XIUBTYPKXSUKMR-NSHGMRRFSA-N 1 2 371.456 2.545 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001085733598 999619663 /nfs/dbraw/zinc/61/96/63/999619663.db2.gz JGEKTHQBHZDBMO-SCTDSRPQSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001085733598 999619665 /nfs/dbraw/zinc/61/96/65/999619665.db2.gz JGEKTHQBHZDBMO-SCTDSRPQSA-N 1 2 359.445 2.545 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001085735549 999620573 /nfs/dbraw/zinc/62/05/73/999620573.db2.gz KTZBTGFCHPKQLH-DBXWQHBBSA-N 1 2 353.466 2.790 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001085735549 999620577 /nfs/dbraw/zinc/62/05/77/999620577.db2.gz KTZBTGFCHPKQLH-DBXWQHBBSA-N 1 2 353.466 2.790 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC001085822993 999644550 /nfs/dbraw/zinc/64/45/50/999644550.db2.gz WWVDBFFUCGWNSX-RKVPGOIHSA-N 1 2 350.409 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC001085822993 999644551 /nfs/dbraw/zinc/64/45/51/999644551.db2.gz WWVDBFFUCGWNSX-RKVPGOIHSA-N 1 2 350.409 2.589 20 30 FFEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001085830123 999647440 /nfs/dbraw/zinc/64/74/40/999647440.db2.gz PXWKVCNFHWGLHO-WTGUMLROSA-N 1 2 372.896 2.792 20 30 FFEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001085830123 999647443 /nfs/dbraw/zinc/64/74/43/999647443.db2.gz PXWKVCNFHWGLHO-WTGUMLROSA-N 1 2 372.896 2.792 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001085865252 999663119 /nfs/dbraw/zinc/66/31/19/999663119.db2.gz YABJRQMCTACXBW-ACRUOGEOSA-N 1 2 367.493 2.962 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001085865252 999663120 /nfs/dbraw/zinc/66/31/20/999663120.db2.gz YABJRQMCTACXBW-ACRUOGEOSA-N 1 2 367.493 2.962 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741356574 999723936 /nfs/dbraw/zinc/72/39/36/999723936.db2.gz YEETXLVBHWVLPQ-IEBWSBKVSA-N 1 2 371.481 2.592 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741356574 999723937 /nfs/dbraw/zinc/72/39/37/999723937.db2.gz YEETXLVBHWVLPQ-IEBWSBKVSA-N 1 2 371.481 2.592 20 30 FFEDLO C#CC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CCCCC1 ZINC000744213792 999847676 /nfs/dbraw/zinc/84/76/76/999847676.db2.gz DUPXEUQLEZGVSS-KRWDZBQOSA-N 1 2 362.433 2.780 20 30 FFEDLO C#CC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CCCCC1 ZINC000744213792 999847678 /nfs/dbraw/zinc/84/76/78/999847678.db2.gz DUPXEUQLEZGVSS-KRWDZBQOSA-N 1 2 362.433 2.780 20 30 FFEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000744391044 999853932 /nfs/dbraw/zinc/85/39/32/999853932.db2.gz NGALSHROUUBVJO-LJQANCHMSA-N 1 2 360.417 2.963 20 30 FFEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000744391044 999853934 /nfs/dbraw/zinc/85/39/34/999853934.db2.gz NGALSHROUUBVJO-LJQANCHMSA-N 1 2 360.417 2.963 20 30 FFEDLO N#Cc1ccc(N[C@H]2CCCCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC001049982614 1016372707 /nfs/dbraw/zinc/37/27/07/1016372707.db2.gz XDVYPLITYMFETP-RCCFBDPRSA-N 1 2 364.453 2.663 20 30 FFEDLO N#Cc1ccc(N[C@H]2CCCCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC001049982614 1016372717 /nfs/dbraw/zinc/37/27/17/1016372717.db2.gz XDVYPLITYMFETP-RCCFBDPRSA-N 1 2 364.453 2.663 20 30 FFEDLO CC[C@H](C)[C@H](Nc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(C)[nH+]1)C(N)=O ZINC001169159568 1000028648 /nfs/dbraw/zinc/02/86/48/1000028648.db2.gz RKJXBZKBGQLRAA-BIVOLMCXSA-N 1 2 352.504 2.583 20 30 FFEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCO4)c1=O)CCC2 ZINC000766620647 1000031618 /nfs/dbraw/zinc/03/16/18/1000031618.db2.gz VHEUYQBQVSPHOU-SFHVURJKSA-N 1 2 363.417 2.732 20 30 FFEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCO4)c1=O)CCC2 ZINC000766620647 1000031620 /nfs/dbraw/zinc/03/16/20/1000031620.db2.gz VHEUYQBQVSPHOU-SFHVURJKSA-N 1 2 363.417 2.732 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c(C)n1-c1ccc(C#N)cc1 ZINC000804333555 1000070284 /nfs/dbraw/zinc/07/02/84/1000070284.db2.gz LWZZHWMVQQVELW-KRWDZBQOSA-N 1 2 359.433 2.907 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)c(F)c1 ZINC001109072490 1000161803 /nfs/dbraw/zinc/16/18/03/1000161803.db2.gz GTKCQIMIBRETCJ-COXVUDFISA-N 1 2 352.837 2.903 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)c(F)c1 ZINC001109072490 1000161804 /nfs/dbraw/zinc/16/18/04/1000161804.db2.gz GTKCQIMIBRETCJ-COXVUDFISA-N 1 2 352.837 2.903 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(Cl)c1 ZINC001109072217 1000161823 /nfs/dbraw/zinc/16/18/23/1000161823.db2.gz ABIBPLKVSZIIOG-COXVUDFISA-N 1 2 352.837 2.903 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(Cl)c1 ZINC001109072217 1000161824 /nfs/dbraw/zinc/16/18/24/1000161824.db2.gz ABIBPLKVSZIIOG-COXVUDFISA-N 1 2 352.837 2.903 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Br)c1 ZINC001109088913 1000166249 /nfs/dbraw/zinc/16/62/49/1000166249.db2.gz URYJTBTTZVTJKE-MWNCTCPHSA-N 1 2 362.271 2.830 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Br)c1 ZINC001109088913 1000166250 /nfs/dbraw/zinc/16/62/50/1000166250.db2.gz URYJTBTTZVTJKE-MWNCTCPHSA-N 1 2 362.271 2.830 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1noc2c1CCCC2 ZINC001109166418 1000178673 /nfs/dbraw/zinc/17/86/73/1000178673.db2.gz QPSYFAZAQGPUIP-AYBZRNKSSA-N 1 2 355.482 2.969 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1noc2c1CCCC2 ZINC001109166418 1000178675 /nfs/dbraw/zinc/17/86/75/1000178675.db2.gz QPSYFAZAQGPUIP-AYBZRNKSSA-N 1 2 355.482 2.969 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)s1 ZINC001109204158 1000185598 /nfs/dbraw/zinc/18/55/98/1000185598.db2.gz FQZQWXNKPNSINV-LRCAOYNASA-N 1 2 354.903 2.950 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)s1 ZINC001109204158 1000185601 /nfs/dbraw/zinc/18/56/01/1000185601.db2.gz FQZQWXNKPNSINV-LRCAOYNASA-N 1 2 354.903 2.950 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1Cl ZINC001109270610 1000211264 /nfs/dbraw/zinc/21/12/64/1000211264.db2.gz OIFJLHDTXFCNAY-PVAVHDDUSA-N 1 2 364.848 2.741 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1Cl ZINC001109270610 1000211267 /nfs/dbraw/zinc/21/12/67/1000211267.db2.gz OIFJLHDTXFCNAY-PVAVHDDUSA-N 1 2 364.848 2.741 20 30 FFEDLO N#CCn1c(=O)c2ccccc2nc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000768753956 1000339588 /nfs/dbraw/zinc/33/95/88/1000339588.db2.gz LXKOGHMLVRHWTB-UHFFFAOYSA-N 1 2 359.433 2.695 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1oc3ccc(F)cc3c1C)C2 ZINC001109403362 1000389217 /nfs/dbraw/zinc/38/92/17/1000389217.db2.gz BXAQEIXKXNDODU-NJAFHUGGSA-N 1 2 370.424 2.865 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1oc3ccc(F)cc3c1C)C2 ZINC001109403362 1000389220 /nfs/dbraw/zinc/38/92/20/1000389220.db2.gz BXAQEIXKXNDODU-NJAFHUGGSA-N 1 2 370.424 2.865 20 30 FFEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(C#N)cc3C)CC2)n1 ZINC000846753963 1000420629 /nfs/dbraw/zinc/42/06/29/1000420629.db2.gz XDCTVVLTNGLHMX-OAHLLOKOSA-N 1 2 355.442 2.669 20 30 FFEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3ccc(C#N)cc3C)CC2)n1 ZINC000846753963 1000420631 /nfs/dbraw/zinc/42/06/31/1000420631.db2.gz XDCTVVLTNGLHMX-OAHLLOKOSA-N 1 2 355.442 2.669 20 30 FFEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000846852871 1000459076 /nfs/dbraw/zinc/45/90/76/1000459076.db2.gz YXQNLTZETFMPGV-IBGZPJMESA-N 1 2 351.385 2.744 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH2+][C@@H](CCO)c1ccco1 ZINC000769223725 1000468684 /nfs/dbraw/zinc/46/86/84/1000468684.db2.gz WZZMFRRRZLQDOR-HOCLYGCPSA-N 1 2 362.389 2.530 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000846933778 1000482214 /nfs/dbraw/zinc/48/22/14/1000482214.db2.gz XHJXTXQPVDXAEG-QZTJIDSGSA-N 1 2 352.438 2.631 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000846933778 1000482220 /nfs/dbraw/zinc/48/22/20/1000482220.db2.gz XHJXTXQPVDXAEG-QZTJIDSGSA-N 1 2 352.438 2.631 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1 ZINC001109631733 1000747897 /nfs/dbraw/zinc/74/78/97/1000747897.db2.gz LPRUPDFTSIODEO-RNQOJCNYSA-N 1 2 369.509 2.627 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1 ZINC001109631733 1000747902 /nfs/dbraw/zinc/74/79/02/1000747902.db2.gz LPRUPDFTSIODEO-RNQOJCNYSA-N 1 2 369.509 2.627 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)C(C)C)CC1 ZINC001109674426 1000831549 /nfs/dbraw/zinc/83/15/49/1000831549.db2.gz IMILWBOGTBSTQC-NQYYFHDYSA-N 1 2 361.530 2.615 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)C(C)C)CC1 ZINC001109674426 1000831554 /nfs/dbraw/zinc/83/15/54/1000831554.db2.gz IMILWBOGTBSTQC-NQYYFHDYSA-N 1 2 361.530 2.615 20 30 FFEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cccc2[nH+]ccn21 ZINC000770732812 1000906005 /nfs/dbraw/zinc/90/60/05/1000906005.db2.gz JKQXXCMWCYVWGS-UHFFFAOYSA-N 1 2 350.378 2.599 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091644468 1000939355 /nfs/dbraw/zinc/93/93/55/1000939355.db2.gz OXVYMPBSYNNFKO-UONOGXRCSA-N 1 2 356.474 2.662 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(F)ccc(F)c1Cl)C2 ZINC001109754753 1000956831 /nfs/dbraw/zinc/95/68/31/1000956831.db2.gz OYNSRJPBJVTUTI-UGFHNGPFSA-N 1 2 368.811 2.603 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(F)ccc(F)c1Cl)C2 ZINC001109754753 1000956837 /nfs/dbraw/zinc/95/68/37/1000956837.db2.gz OYNSRJPBJVTUTI-UGFHNGPFSA-N 1 2 368.811 2.603 20 30 FFEDLO Cc1ccc(C#N)c(NC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]2C)n1 ZINC001054667438 1016465685 /nfs/dbraw/zinc/46/56/85/1016465685.db2.gz YGGKVYWYCFBPHM-UWWQBHOKSA-N 1 2 366.469 2.616 20 30 FFEDLO COc1cc(N2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc[nH+]1 ZINC001148617821 1001182542 /nfs/dbraw/zinc/18/25/42/1001182542.db2.gz IHNXQPNPPDUGNI-OAHLLOKOSA-N 1 2 350.422 2.680 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CNc1nc(C)[nH+]c2c1CCCC2)C1CC1 ZINC001109984535 1001242989 /nfs/dbraw/zinc/24/29/89/1001242989.db2.gz RJZJZBUGJWVJJT-NEWSRXKRSA-N 1 2 370.497 2.562 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)c1cnccn1 ZINC001096747425 1016522042 /nfs/dbraw/zinc/52/20/42/1016522042.db2.gz LROGULOWPIFNIC-LMMKCTJWSA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)c1cnccn1 ZINC001096747425 1016522051 /nfs/dbraw/zinc/52/20/51/1016522051.db2.gz LROGULOWPIFNIC-LMMKCTJWSA-N 1 2 366.852 2.517 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1CC ZINC001091767707 1001791454 /nfs/dbraw/zinc/79/14/54/1001791454.db2.gz JQYDYTQQZUALSI-ZWKOTPCHSA-N 1 2 360.502 2.858 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1CC ZINC001091790178 1001820503 /nfs/dbraw/zinc/82/05/03/1001820503.db2.gz NBYMKWADFSCEPL-DLBZAZTESA-N 1 2 358.486 2.729 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001096789891 1016545571 /nfs/dbraw/zinc/54/55/71/1016545571.db2.gz SUSVWJXXEDZGBU-KURKYZTESA-N 1 2 350.422 2.698 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001096789891 1016545581 /nfs/dbraw/zinc/54/55/81/1016545581.db2.gz SUSVWJXXEDZGBU-KURKYZTESA-N 1 2 350.422 2.698 20 30 FFEDLO CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110320698 1002016776 /nfs/dbraw/zinc/01/67/76/1002016776.db2.gz HMSFKSRSRGEPJX-QRQLOZEOSA-N 1 2 359.445 2.736 20 30 FFEDLO CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110320698 1002016785 /nfs/dbraw/zinc/01/67/85/1002016785.db2.gz HMSFKSRSRGEPJX-QRQLOZEOSA-N 1 2 359.445 2.736 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)n3C)C[C@@]2(C)C1 ZINC001091910793 1002063899 /nfs/dbraw/zinc/06/38/99/1002063899.db2.gz HWRIXVPAPNLWSZ-IERDGZPVSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)n3C)C[C@@]2(C)C1 ZINC001091910793 1002063910 /nfs/dbraw/zinc/06/39/10/1002063910.db2.gz HWRIXVPAPNLWSZ-IERDGZPVSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001091910938 1002063976 /nfs/dbraw/zinc/06/39/76/1002063976.db2.gz JXPCUDWSUJPIPL-UZLBHIALSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001091910938 1002063987 /nfs/dbraw/zinc/06/39/87/1002063987.db2.gz JXPCUDWSUJPIPL-UZLBHIALSA-N 1 2 359.518 2.742 20 30 FFEDLO Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)cn1 ZINC001096813183 1016583526 /nfs/dbraw/zinc/58/35/26/1016583526.db2.gz UEWZHTMFRSSDCY-RLLQIKCJSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)cn1 ZINC001096813183 1016583539 /nfs/dbraw/zinc/58/35/39/1016583539.db2.gz UEWZHTMFRSSDCY-RLLQIKCJSA-N 1 2 364.424 2.936 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4ncnn4C(C)C)C[C@@]3(C)C2)CC1 ZINC001091978867 1002239526 /nfs/dbraw/zinc/23/95/26/1002239526.db2.gz IVNLZHRZDLHKLC-NQIIRXRSSA-N 1 2 371.529 2.886 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4ncnn4C(C)C)C[C@@]3(C)C2)CC1 ZINC001091978867 1002239533 /nfs/dbraw/zinc/23/95/33/1002239533.db2.gz IVNLZHRZDLHKLC-NQIIRXRSSA-N 1 2 371.529 2.886 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@@H+]([C@@H](C)c4nnc(C)[nH]4)C[C@@]3(C)C2)CC1 ZINC001091979166 1002241513 /nfs/dbraw/zinc/24/15/13/1002241513.db2.gz UEMOJISZXRWSFU-NQYLQCIDSA-N 1 2 357.502 2.701 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@H+]([C@@H](C)c4nnc(C)[nH]4)C[C@@]3(C)C2)CC1 ZINC001091979166 1002241517 /nfs/dbraw/zinc/24/15/17/1002241517.db2.gz UEMOJISZXRWSFU-NQYLQCIDSA-N 1 2 357.502 2.701 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001091980976 1002243986 /nfs/dbraw/zinc/24/39/86/1002243986.db2.gz IRKHAFRTJJMFDC-XPGWFJOJSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001091980976 1002243993 /nfs/dbraw/zinc/24/39/93/1002243993.db2.gz IRKHAFRTJJMFDC-XPGWFJOJSA-N 1 2 357.502 2.565 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)[C@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC001183367614 1002259694 /nfs/dbraw/zinc/25/96/94/1002259694.db2.gz UDYBMQLZDRYYDU-JKSUJKDBSA-N 1 2 365.518 2.504 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C)nn2)C1 ZINC001086587695 1002404593 /nfs/dbraw/zinc/40/45/93/1002404593.db2.gz JLSVGYDEALZCHF-FUHWJXTLSA-N 1 2 356.857 2.735 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C)nn2)C1 ZINC001086587695 1002404601 /nfs/dbraw/zinc/40/46/01/1002404601.db2.gz JLSVGYDEALZCHF-FUHWJXTLSA-N 1 2 356.857 2.735 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn3cc(C)nc3s2)C1 ZINC001086592395 1002531479 /nfs/dbraw/zinc/53/14/79/1002531479.db2.gz LAKAEVMPNNLGDU-DLBZAZTESA-N 1 2 364.474 2.535 20 30 FFEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn3cc(C)nc3s2)C1 ZINC001086592395 1002531490 /nfs/dbraw/zinc/53/14/90/1002531490.db2.gz LAKAEVMPNNLGDU-DLBZAZTESA-N 1 2 364.474 2.535 20 30 FFEDLO N#Cc1cccc(N2C[C@H](C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)OC2=O)c1 ZINC001184367603 1002598736 /nfs/dbraw/zinc/59/87/36/1002598736.db2.gz IZCSDMWQIIQBDH-GOSISDBHSA-N 1 2 373.372 2.708 20 30 FFEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1CCOC(=O)/C=C\c1ccccc1C#N ZINC000774761506 1002659535 /nfs/dbraw/zinc/65/95/35/1002659535.db2.gz BZZKXBFYAJXSJR-RXQFDZFGSA-N 1 2 370.449 2.921 20 30 FFEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CCOC(=O)/C=C\c1ccccc1C#N ZINC000774761506 1002659541 /nfs/dbraw/zinc/65/95/41/1002659541.db2.gz BZZKXBFYAJXSJR-RXQFDZFGSA-N 1 2 370.449 2.921 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccnc(C)n2)C1 ZINC001092315600 1002667942 /nfs/dbraw/zinc/66/79/42/1002667942.db2.gz IFIVJWUAMSOIPH-DJIMGWMZSA-N 1 2 368.485 2.527 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110351902 1002675614 /nfs/dbraw/zinc/67/56/14/1002675614.db2.gz MTGCXINSOKVAIR-OTNPHJDUSA-N 1 2 372.484 2.960 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110351902 1002675618 /nfs/dbraw/zinc/67/56/18/1002675618.db2.gz MTGCXINSOKVAIR-OTNPHJDUSA-N 1 2 372.484 2.960 20 30 FFEDLO Cc1cc(N2C[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@]3(C)C2)nc(C2CC2)[nH+]1 ZINC001092285592 1002691106 /nfs/dbraw/zinc/69/11/06/1002691106.db2.gz NOQSNKNVEYVBQC-VGSWGCGISA-N 1 2 366.509 2.997 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110352261 1002692533 /nfs/dbraw/zinc/69/25/33/1002692533.db2.gz YYIZCXKBSOPDJI-JRJVTICQSA-N 1 2 373.472 2.980 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110352261 1002692536 /nfs/dbraw/zinc/69/25/36/1002692536.db2.gz YYIZCXKBSOPDJI-JRJVTICQSA-N 1 2 373.472 2.980 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2conc2C(F)(F)F)C1 ZINC001086599218 1002716047 /nfs/dbraw/zinc/71/60/47/1002716047.db2.gz CBTHDKAUYLHPNG-DZGCQCFKSA-N 1 2 363.339 2.524 20 30 FFEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2conc2C(F)(F)F)C1 ZINC001086599218 1002716055 /nfs/dbraw/zinc/71/60/55/1002716055.db2.gz CBTHDKAUYLHPNG-DZGCQCFKSA-N 1 2 363.339 2.524 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2CC(=O)OC)C1 ZINC001184787165 1002719554 /nfs/dbraw/zinc/71/95/54/1002719554.db2.gz HMGVGGGUWXYMEJ-SFHVURJKSA-N 1 2 356.466 2.619 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2CC(=O)OC)C1 ZINC001184787165 1002719566 /nfs/dbraw/zinc/71/95/66/1002719566.db2.gz HMGVGGGUWXYMEJ-SFHVURJKSA-N 1 2 356.466 2.619 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC(F)(F)F)C3)c1 ZINC001110354993 1002770778 /nfs/dbraw/zinc/77/07/78/1002770778.db2.gz FZNCDMZCMTVSGS-YUELXQCFSA-N 1 2 355.335 2.871 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC(F)(F)F)C3)c1 ZINC001110354993 1002770789 /nfs/dbraw/zinc/77/07/89/1002770789.db2.gz FZNCDMZCMTVSGS-YUELXQCFSA-N 1 2 355.335 2.871 20 30 FFEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1F)c1nccn12 ZINC001092402399 1002778789 /nfs/dbraw/zinc/77/87/89/1002778789.db2.gz OVICOEYESHFARC-LZLYRXPVSA-N 1 2 366.440 2.584 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccncc1Cl ZINC001110366222 1003013669 /nfs/dbraw/zinc/01/36/69/1003013669.db2.gz MMSIAKHFODAVSS-UWIFEVILSA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccncc1Cl ZINC001110366222 1003013683 /nfs/dbraw/zinc/01/36/83/1003013683.db2.gz MMSIAKHFODAVSS-UWIFEVILSA-N 1 2 363.889 2.938 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2CCOCC2)C3)c(F)c1 ZINC001096900726 1016709250 /nfs/dbraw/zinc/70/92/50/1016709250.db2.gz JSTYWZXKQCPABS-RLLQIKCJSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2CCOCC2)C3)c(F)c1 ZINC001096900726 1016709264 /nfs/dbraw/zinc/70/92/64/1016709264.db2.gz JSTYWZXKQCPABS-RLLQIKCJSA-N 1 2 371.456 2.736 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cnns3)C[C@H]2c2ccccc2)C1 ZINC001086607941 1003025891 /nfs/dbraw/zinc/02/58/91/1003025891.db2.gz CVXTXCXUYZYEHL-ZWKOTPCHSA-N 1 2 368.506 2.979 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3cnns3)C[C@H]2c2ccccc2)C1 ZINC001086607941 1003025902 /nfs/dbraw/zinc/02/59/02/1003025902.db2.gz CVXTXCXUYZYEHL-ZWKOTPCHSA-N 1 2 368.506 2.979 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(OCC)cc1 ZINC001110377409 1003237795 /nfs/dbraw/zinc/23/77/95/1003237795.db2.gz JEQUHTRJCBQJDI-QRQLOZEOSA-N 1 2 371.481 2.712 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(OCC)cc1 ZINC001110377409 1003237807 /nfs/dbraw/zinc/23/78/07/1003237807.db2.gz JEQUHTRJCBQJDI-QRQLOZEOSA-N 1 2 371.481 2.712 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(F)c2)c1 ZINC001096928758 1016749782 /nfs/dbraw/zinc/74/97/82/1016749782.db2.gz KQTWEMIFKRRAKH-QBIMZIAESA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(F)c2)c1 ZINC001096928758 1016749792 /nfs/dbraw/zinc/74/97/92/1016749792.db2.gz KQTWEMIFKRRAKH-QBIMZIAESA-N 1 2 356.376 2.700 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)Cc2cccc(Br)c2)CC1 ZINC001186516040 1003335016 /nfs/dbraw/zinc/33/50/16/1003335016.db2.gz AUVHMNUGZNZDNB-AWEZNQCLSA-N 1 2 351.288 2.958 20 30 FFEDLO COc1ccc(C[N@H+](C)Cn2cc3c(c(C#N)c2=O)CCCC3)cc1F ZINC000793482848 1003383891 /nfs/dbraw/zinc/38/38/91/1003383891.db2.gz HYSXJWSQIFRWBF-UHFFFAOYSA-N 1 2 355.413 2.836 20 30 FFEDLO COc1ccc(C[N@@H+](C)Cn2cc3c(c(C#N)c2=O)CCCC3)cc1F ZINC000793482848 1003383894 /nfs/dbraw/zinc/38/38/94/1003383894.db2.gz HYSXJWSQIFRWBF-UHFFFAOYSA-N 1 2 355.413 2.836 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H](CNc3[nH+]cnc4c3cnn4C)[C@H](C)C2)CCC1 ZINC001092674684 1003400177 /nfs/dbraw/zinc/40/01/77/1003400177.db2.gz OOMIBKDGYNECAK-HUUCEWRRSA-N 1 2 368.485 2.616 20 30 FFEDLO Cc1nc(N2CC[C@@]3(CNC(=O)C#CC4CC4)CCC[C@@H]23)c(C)c(C)[nH+]1 ZINC001092695887 1003439165 /nfs/dbraw/zinc/43/91/65/1003439165.db2.gz IVAHTJLTQUDKRL-WIYYLYMNSA-N 1 2 352.482 2.680 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001114183492 1003507121 /nfs/dbraw/zinc/50/71/21/1003507121.db2.gz WKCAIFUDCSBILY-SJORKVTESA-N 1 2 358.486 2.997 20 30 FFEDLO C#CC[C@@H](Cc1ccccc1)Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000804809403 1003851985 /nfs/dbraw/zinc/85/19/85/1003851985.db2.gz ALBYQYUGZUGULT-OALUTQOASA-N 1 2 350.466 2.874 20 30 FFEDLO C#CC[C@@H](Cc1ccccc1)Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000804809403 1003851999 /nfs/dbraw/zinc/85/19/99/1003851999.db2.gz ALBYQYUGZUGULT-OALUTQOASA-N 1 2 350.466 2.874 20 30 FFEDLO COc1cc(C#N)ccc1OCCOC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000805526032 1004039105 /nfs/dbraw/zinc/03/91/05/1004039105.db2.gz SSUMOZMBIXYQQN-IBGZPJMESA-N 1 2 354.406 2.792 20 30 FFEDLO CCCCCCC[C@H](C)NC(=O)N[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001192953376 1004325217 /nfs/dbraw/zinc/32/52/17/1004325217.db2.gz MOADVEPVJVKCIO-RDJZCZTQSA-N 1 2 366.506 2.943 20 30 FFEDLO Cc1cc(C)c(C#N)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC001130814785 1004489477 /nfs/dbraw/zinc/48/94/77/1004489477.db2.gz DPJSCNYUDVWPHD-UHFFFAOYSA-N 1 2 362.349 2.916 20 30 FFEDLO C#CC[N@@H+](CN1C(=O)C(C)(C)[C@H]1c1cnn(C)c1)[C@H]1CCc2ccccc21 ZINC000808140905 1004757892 /nfs/dbraw/zinc/75/78/92/1004757892.db2.gz QVDNAIQPAGFAAH-VQTJNVASSA-N 1 2 362.477 2.910 20 30 FFEDLO C#CC[N@H+](CN1C(=O)C(C)(C)[C@H]1c1cnn(C)c1)[C@H]1CCc2ccccc21 ZINC000808140905 1004757896 /nfs/dbraw/zinc/75/78/96/1004757896.db2.gz QVDNAIQPAGFAAH-VQTJNVASSA-N 1 2 362.477 2.910 20 30 FFEDLO CCCCCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001198888535 1004774442 /nfs/dbraw/zinc/77/44/42/1004774442.db2.gz GNCXNTBYRWSNKN-WOJBJXKFSA-N 1 2 356.510 2.806 20 30 FFEDLO CCCCCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001198888535 1004774446 /nfs/dbraw/zinc/77/44/46/1004774446.db2.gz GNCXNTBYRWSNKN-WOJBJXKFSA-N 1 2 356.510 2.806 20 30 FFEDLO CCCCCCCCCOC(=O)N1CCN(CC[NH+]2CCOCC2)CC1 ZINC001194913382 1004842707 /nfs/dbraw/zinc/84/27/07/1004842707.db2.gz BKOYVZSAFGGPPQ-UHFFFAOYSA-N 1 2 369.550 2.823 20 30 FFEDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)C)C3)c1 ZINC001110539460 1004989647 /nfs/dbraw/zinc/98/96/47/1004989647.db2.gz UOTAGWJFYLMJKI-NBYUQASBSA-N 1 2 367.493 2.703 20 30 FFEDLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)C)C3)c1 ZINC001110539460 1004989650 /nfs/dbraw/zinc/98/96/50/1004989650.db2.gz UOTAGWJFYLMJKI-NBYUQASBSA-N 1 2 367.493 2.703 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1O ZINC001195724994 1005021957 /nfs/dbraw/zinc/02/19/57/1005021957.db2.gz HDXFTEJHZIWSOZ-HZPDHXFCSA-N 1 2 356.388 2.723 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1O ZINC001195724994 1005021960 /nfs/dbraw/zinc/02/19/60/1005021960.db2.gz HDXFTEJHZIWSOZ-HZPDHXFCSA-N 1 2 356.388 2.723 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000776084994 1005112991 /nfs/dbraw/zinc/11/29/91/1005112991.db2.gz WEJNSBBKINTPIF-HOTGVXAUSA-N 1 2 368.522 2.582 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000776084994 1005112994 /nfs/dbraw/zinc/11/29/94/1005112994.db2.gz WEJNSBBKINTPIF-HOTGVXAUSA-N 1 2 368.522 2.582 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000776084995 1005113069 /nfs/dbraw/zinc/11/30/69/1005113069.db2.gz WEJNSBBKINTPIF-HZPDHXFCSA-N 1 2 368.522 2.582 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000776084995 1005113071 /nfs/dbraw/zinc/11/30/71/1005113071.db2.gz WEJNSBBKINTPIF-HZPDHXFCSA-N 1 2 368.522 2.582 20 30 FFEDLO C=CCCCC(=O)N1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC001488239724 1005130166 /nfs/dbraw/zinc/13/01/66/1005130166.db2.gz PZSZRGUDXKSZNJ-BZSOYRFXSA-N 1 2 370.497 2.520 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccc(Br)s2)[C@@H]1C ZINC001489257014 1005440598 /nfs/dbraw/zinc/44/05/98/1005440598.db2.gz MWNSNFVGDNBFDR-UMNHJUIQSA-N 1 2 356.289 2.749 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Br)s2)[C@@H]1C ZINC001489257014 1005440599 /nfs/dbraw/zinc/44/05/99/1005440599.db2.gz MWNSNFVGDNBFDR-UMNHJUIQSA-N 1 2 356.289 2.749 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)c(C)o3)[C@@H]2C)CCOCC1 ZINC001489307750 1005455991 /nfs/dbraw/zinc/45/59/91/1005455991.db2.gz QWFKIDHWQCVSAV-WBVHZDCISA-N 1 2 361.486 2.743 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)c(C)o3)[C@@H]2C)CCOCC1 ZINC001489307750 1005455995 /nfs/dbraw/zinc/45/59/95/1005455995.db2.gz QWFKIDHWQCVSAV-WBVHZDCISA-N 1 2 361.486 2.743 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001489955795 1005601787 /nfs/dbraw/zinc/60/17/87/1005601787.db2.gz TXGSVNSOCYDOEJ-ZBFHGGJFSA-N 1 2 360.502 2.606 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001490347698 1005690126 /nfs/dbraw/zinc/69/01/26/1005690126.db2.gz ULTMMIVTLXBGGL-OWCLPIDISA-N 1 2 360.502 2.500 20 30 FFEDLO CCCCCCCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000748242213 1016999727 /nfs/dbraw/zinc/99/97/27/1016999727.db2.gz PQTQDEKXEQTLOB-UHFFFAOYSA-N 1 2 360.502 2.597 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4ccccc4)no3)C[C@H]21 ZINC001187240663 1005971733 /nfs/dbraw/zinc/97/17/33/1005971733.db2.gz VZQAEAWDXMIKMW-DLBZAZTESA-N 1 2 352.438 2.736 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4ccccc4)no3)C[C@H]21 ZINC001187240663 1005971736 /nfs/dbraw/zinc/97/17/36/1005971736.db2.gz VZQAEAWDXMIKMW-DLBZAZTESA-N 1 2 352.438 2.736 20 30 FFEDLO CCOCCC(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001187254686 1006007663 /nfs/dbraw/zinc/00/76/63/1006007663.db2.gz SDXLNNWTCULLRP-PKOBYXMFSA-N 1 2 360.885 2.651 20 30 FFEDLO CCOCCC(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001187254686 1006007672 /nfs/dbraw/zinc/00/76/72/1006007672.db2.gz SDXLNNWTCULLRP-PKOBYXMFSA-N 1 2 360.885 2.651 20 30 FFEDLO CC[C@@H]1COCC[N@@H+]1CCNc1nccc(Oc2cccc(C#N)c2)n1 ZINC001187525336 1006129059 /nfs/dbraw/zinc/12/90/59/1006129059.db2.gz MTHXPYRHEOQUIY-MRXNPFEDSA-N 1 2 353.426 2.663 20 30 FFEDLO CC[C@@H]1COCC[N@H+]1CCNc1nccc(Oc2cccc(C#N)c2)n1 ZINC001187525336 1006129061 /nfs/dbraw/zinc/12/90/61/1006129061.db2.gz MTHXPYRHEOQUIY-MRXNPFEDSA-N 1 2 353.426 2.663 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2noc(C(C)C)n2)C1 ZINC001086717535 1006182895 /nfs/dbraw/zinc/18/28/95/1006182895.db2.gz AUSCNZQEVPGDBG-JKSUJKDBSA-N 1 2 371.485 2.869 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nc(CCCC)no3)C[C@H]21 ZINC001187713435 1006210200 /nfs/dbraw/zinc/21/02/00/1006210200.db2.gz AYACJWQOOBZFND-IXDOHACOSA-N 1 2 358.486 2.809 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nc(CCCC)no3)C[C@H]21 ZINC001187713435 1006210215 /nfs/dbraw/zinc/21/02/15/1006210215.db2.gz AYACJWQOOBZFND-IXDOHACOSA-N 1 2 358.486 2.809 20 30 FFEDLO COC(=O)c1ccccc1N[NH+]=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853327725 1006367829 /nfs/dbraw/zinc/36/78/29/1006367829.db2.gz BNGWYGHNDACPQU-UHFFFAOYSA-N 1 2 353.422 2.880 20 30 FFEDLO C#CC1(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CCCC1 ZINC000882535956 1006425017 /nfs/dbraw/zinc/42/50/17/1006425017.db2.gz ROIQKVZIQCLXEA-UHFFFAOYSA-N 1 2 350.422 2.588 20 30 FFEDLO CC[C@@]1(c2ccc(C)cc2)CC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853523469 1006427401 /nfs/dbraw/zinc/42/74/01/1006427401.db2.gz FDSPZWXNNWBDTR-UWJYYQICSA-N 1 2 353.466 2.985 20 30 FFEDLO CC[C@@]1(c2ccc(C)cc2)CC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853523469 1006427413 /nfs/dbraw/zinc/42/74/13/1006427413.db2.gz FDSPZWXNNWBDTR-UWJYYQICSA-N 1 2 353.466 2.985 20 30 FFEDLO C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853526804 1006429014 /nfs/dbraw/zinc/42/90/14/1006429014.db2.gz ZGVOLBLOIXEDDO-BTYIYWSLSA-N 1 2 366.465 2.525 20 30 FFEDLO C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853526804 1006429023 /nfs/dbraw/zinc/42/90/23/1006429023.db2.gz ZGVOLBLOIXEDDO-BTYIYWSLSA-N 1 2 366.465 2.525 20 30 FFEDLO COC(=O)N1CCN(c2ccc(Nc3cccc(F)c3C#N)c[nH+]2)CC1 ZINC000814934250 1006471474 /nfs/dbraw/zinc/47/14/74/1006471474.db2.gz PQIMVPVUZGGORD-UHFFFAOYSA-N 1 2 355.373 2.724 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CC[C@H]1CCCO1 ZINC001206143178 1032161351 /nfs/dbraw/zinc/16/13/51/1032161351.db2.gz WVBGJGHTFVYUTP-NIKGAXFTSA-N 1 2 359.445 2.593 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CC[C@H]1CCCO1 ZINC001206143178 1032161357 /nfs/dbraw/zinc/16/13/57/1032161357.db2.gz WVBGJGHTFVYUTP-NIKGAXFTSA-N 1 2 359.445 2.593 20 30 FFEDLO Cc1csc(C[C@H]2CCC[N@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)n1 ZINC000884473520 1007456155 /nfs/dbraw/zinc/45/61/55/1007456155.db2.gz YCWOACUBDAOLPH-OAHLLOKOSA-N 1 2 368.506 2.886 20 30 FFEDLO Cc1csc(C[C@H]2CCC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)n1 ZINC000884473520 1007456163 /nfs/dbraw/zinc/45/61/63/1007456163.db2.gz YCWOACUBDAOLPH-OAHLLOKOSA-N 1 2 368.506 2.886 20 30 FFEDLO CN1CC[NH+](Cc2cccc(NC(=O)Cc3ccccc3CC#N)c2)CC1 ZINC000776851740 1007663616 /nfs/dbraw/zinc/66/36/16/1007663616.db2.gz FNOVOUJFUOFXAT-UHFFFAOYSA-N 1 2 362.477 2.681 20 30 FFEDLO CC[C@H]1C[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CCO1 ZINC000817708230 1007712555 /nfs/dbraw/zinc/71/25/55/1007712555.db2.gz VVBYCMFKPPASMM-KGLIPLIRSA-N 1 2 354.454 2.604 20 30 FFEDLO Cc1cc(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])cc(C)n1 ZINC000817707305 1007713007 /nfs/dbraw/zinc/71/30/07/1007713007.db2.gz IRUXKPXFLREHFF-UHFFFAOYSA-N 1 2 361.449 2.858 20 30 FFEDLO C#CCCN(CCOC)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000820047144 1008282009 /nfs/dbraw/zinc/28/20/09/1008282009.db2.gz PGVCXOUODRMAET-HDICACEKSA-N 1 2 373.497 2.799 20 30 FFEDLO C#CCCN(CCOC)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000820047144 1008282011 /nfs/dbraw/zinc/28/20/11/1008282011.db2.gz PGVCXOUODRMAET-HDICACEKSA-N 1 2 373.497 2.799 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccnc(Cl)c2)C[C@H]1C ZINC001206478918 1032302678 /nfs/dbraw/zinc/30/26/78/1032302678.db2.gz HDUKRVVASLLJEJ-IIAWOOMASA-N 1 2 351.878 2.653 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2)C[C@H]1C ZINC001206478918 1032302688 /nfs/dbraw/zinc/30/26/88/1032302688.db2.gz HDUKRVVASLLJEJ-IIAWOOMASA-N 1 2 351.878 2.653 20 30 FFEDLO C=CCOc1cc(C)nc(-c2cc(C[NH+]3CCOCC3)ccc2OC)n1 ZINC001206484175 1032305153 /nfs/dbraw/zinc/30/51/53/1032305153.db2.gz ZNLXYRIYLUDZOH-UHFFFAOYSA-N 1 2 355.438 2.858 20 30 FFEDLO CC1(C)C[N@H+](CCNC(=O)C2(c3ccc(C#N)cc3)CCCC2)CCO1 ZINC000859047623 1008469268 /nfs/dbraw/zinc/46/92/68/1008469268.db2.gz VELIYXUQEHMHLO-UHFFFAOYSA-N 1 2 355.482 2.597 20 30 FFEDLO CC1(C)C[N@@H+](CCNC(=O)C2(c3ccc(C#N)cc3)CCCC2)CCO1 ZINC000859047623 1008469271 /nfs/dbraw/zinc/46/92/71/1008469271.db2.gz VELIYXUQEHMHLO-UHFFFAOYSA-N 1 2 355.482 2.597 20 30 FFEDLO C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001177535512 1008647748 /nfs/dbraw/zinc/64/77/48/1008647748.db2.gz ZNZLSXNRLGFULL-SFTDATJTSA-N 1 2 366.505 2.521 20 30 FFEDLO C#CC[C@@H]1CC[N@@H+]([C@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)C1 ZINC000886360267 1008649335 /nfs/dbraw/zinc/64/93/35/1008649335.db2.gz SNGLEDHUOOYVNF-CHWSQXEVSA-N 1 2 373.478 2.876 20 30 FFEDLO C#CC[C@@H]1CC[N@H+]([C@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)C1 ZINC000886360267 1008649339 /nfs/dbraw/zinc/64/93/39/1008649339.db2.gz SNGLEDHUOOYVNF-CHWSQXEVSA-N 1 2 373.478 2.876 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)C2CCC(N(C)C(=O)OC(C)(C)C)CC2)CC1 ZINC001178536344 1009025436 /nfs/dbraw/zinc/02/54/36/1009025436.db2.gz UVNVIJBOVNYFTO-UHFFFAOYSA-N 1 2 365.518 2.742 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3F)o2)C[C@H]1C ZINC001206659054 1032376560 /nfs/dbraw/zinc/37/65/60/1032376560.db2.gz BPTLGMZJQYIDGD-XJKCOSOUSA-N 1 2 356.401 2.577 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3F)o2)C[C@H]1C ZINC001206659054 1032376568 /nfs/dbraw/zinc/37/65/68/1032376568.db2.gz BPTLGMZJQYIDGD-XJKCOSOUSA-N 1 2 356.401 2.577 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Br)s2)C[C@H]1C ZINC001206662403 1032377765 /nfs/dbraw/zinc/37/77/65/1032377765.db2.gz IXXKHUJROVFBTO-HOSYDEDBSA-N 1 2 356.289 2.607 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Br)s2)C[C@H]1C ZINC001206662403 1032377775 /nfs/dbraw/zinc/37/77/75/1032377775.db2.gz IXXKHUJROVFBTO-HOSYDEDBSA-N 1 2 356.289 2.607 20 30 FFEDLO CCOC(=O)C[N@H+](CCOc1cccc(C#N)c1)Cc1ccccc1O ZINC000823580979 1009117904 /nfs/dbraw/zinc/11/79/04/1009117904.db2.gz CFAXRVLSNRSVPP-UHFFFAOYSA-N 1 2 354.406 2.708 20 30 FFEDLO CCOC(=O)C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccccc1O ZINC000823580979 1009117916 /nfs/dbraw/zinc/11/79/16/1009117916.db2.gz CFAXRVLSNRSVPP-UHFFFAOYSA-N 1 2 354.406 2.708 20 30 FFEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000861670285 1009504022 /nfs/dbraw/zinc/50/40/22/1009504022.db2.gz LHAFNNDUUSWTLC-PXNSSMCTSA-N 1 2 367.493 2.692 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1)OCC ZINC001093019215 1009621184 /nfs/dbraw/zinc/62/11/84/1009621184.db2.gz ZBQWTGSYNFYDDB-YRXWBPOGSA-N 1 2 372.513 2.945 20 30 FFEDLO C#CCCCCCCCCC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001182185510 1010413660 /nfs/dbraw/zinc/41/36/60/1010413660.db2.gz GVPXUPSINMWBBS-UHFFFAOYSA-N 1 2 360.502 2.908 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3occc3C)o2)C[C@H]1C ZINC001206887165 1032480884 /nfs/dbraw/zinc/48/08/84/1032480884.db2.gz ZMZBWCLZKCWIBM-HZPDHXFCSA-N 1 2 370.453 2.768 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3occc3C)o2)C[C@H]1C ZINC001206887165 1032480890 /nfs/dbraw/zinc/48/08/90/1032480890.db2.gz ZMZBWCLZKCWIBM-HZPDHXFCSA-N 1 2 370.453 2.768 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3cccs3)o2)C[C@H]1C ZINC001206911668 1032493351 /nfs/dbraw/zinc/49/33/51/1032493351.db2.gz XZXQXZJOIBQXSO-ZIAGYGMSSA-N 1 2 358.467 2.538 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3cccs3)o2)C[C@H]1C ZINC001206911668 1032493359 /nfs/dbraw/zinc/49/33/59/1032493359.db2.gz XZXQXZJOIBQXSO-ZIAGYGMSSA-N 1 2 358.467 2.538 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(-c3ccccc3F)n2)C[C@H]1C ZINC001206913820 1032494500 /nfs/dbraw/zinc/49/45/00/1032494500.db2.gz ZRGLMIMGJCPIHW-VQIMIIECSA-N 1 2 368.456 2.751 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(-c3ccccc3F)n2)C[C@H]1C ZINC001206913820 1032494504 /nfs/dbraw/zinc/49/45/04/1032494504.db2.gz ZRGLMIMGJCPIHW-VQIMIIECSA-N 1 2 368.456 2.751 20 30 FFEDLO C#CCOc1ccccc1C[N@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000121110911 1011010229 /nfs/dbraw/zinc/01/02/29/1011010229.db2.gz VIISZEMQBWRBAW-QGZVFWFLSA-N 1 2 353.418 2.765 20 30 FFEDLO C#CCOc1ccccc1C[N@@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000121110911 1011010237 /nfs/dbraw/zinc/01/02/37/1011010237.db2.gz VIISZEMQBWRBAW-QGZVFWFLSA-N 1 2 353.418 2.765 20 30 FFEDLO COCC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110849981 1011221404 /nfs/dbraw/zinc/22/14/04/1011221404.db2.gz SWYUHVPUEMVENV-QRQLOZEOSA-N 1 2 373.472 2.982 20 30 FFEDLO COCC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110849981 1011221415 /nfs/dbraw/zinc/22/14/15/1011221415.db2.gz SWYUHVPUEMVENV-QRQLOZEOSA-N 1 2 373.472 2.982 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171483669 1011337361 /nfs/dbraw/zinc/33/73/61/1011337361.db2.gz XMICYHBXQWLYJA-KXBFYZLASA-N 1 2 374.435 2.753 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171483669 1011337371 /nfs/dbraw/zinc/33/73/71/1011337371.db2.gz XMICYHBXQWLYJA-KXBFYZLASA-N 1 2 374.435 2.753 20 30 FFEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171828728 1011475209 /nfs/dbraw/zinc/47/52/09/1011475209.db2.gz NNYAUUDRGRQYGM-KBPBESRZSA-N 1 2 372.531 2.760 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H](N2CC[NH2+]C[C@@H]2C#N)CC12CCCCC2 ZINC001172049506 1011607079 /nfs/dbraw/zinc/60/70/79/1011607079.db2.gz AMNTWNMUCWDLTO-SJORKVTESA-N 1 2 362.518 2.886 20 30 FFEDLO C=CCN1C(=O)COCC12C[NH+](CCc1ccc(Cl)cc1Cl)C2 ZINC001276324068 1011642167 /nfs/dbraw/zinc/64/21/67/1011642167.db2.gz LNBUXTYQPZKKIF-UHFFFAOYSA-N 1 2 355.265 2.635 20 30 FFEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001172315064 1011742794 /nfs/dbraw/zinc/74/27/94/1011742794.db2.gz NHKGLBICJUULLJ-KFKAGJAMSA-N 1 2 371.481 2.809 20 30 FFEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001172315064 1011742809 /nfs/dbraw/zinc/74/28/09/1011742809.db2.gz NHKGLBICJUULLJ-KFKAGJAMSA-N 1 2 371.481 2.809 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)[C@@H]2C ZINC001172312839 1011744006 /nfs/dbraw/zinc/74/40/06/1011744006.db2.gz KBWHQTFXKVFIGC-LSDHHAIUSA-N 1 2 352.438 2.939 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)[C@@H]2C ZINC001172312839 1011744021 /nfs/dbraw/zinc/74/40/21/1011744021.db2.gz KBWHQTFXKVFIGC-LSDHHAIUSA-N 1 2 352.438 2.939 20 30 FFEDLO C[NH+]1CCN(c2cccc(-c3noc(-c4cccc(C#N)c4O)n3)c2)CC1 ZINC001216980295 1032577710 /nfs/dbraw/zinc/57/77/10/1032577710.db2.gz ZTDCSCXIZHPRCT-UHFFFAOYSA-N 1 2 361.405 2.733 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000958557414 1011870992 /nfs/dbraw/zinc/87/09/92/1011870992.db2.gz FJWJPMLVBLHRDC-SOIKWTOOSA-N 1 2 368.481 2.822 20 30 FFEDLO CCCCCCCC[N@@H+]1C[C@]2(F)CN(C[C@H](C)C(=O)OC)C(=O)[C@]2(F)C1 ZINC001275114203 1011954783 /nfs/dbraw/zinc/95/47/83/1011954783.db2.gz KWGAIEVYULLMTI-ZYSHUDEJSA-N 1 2 374.472 2.730 20 30 FFEDLO CCCCCCCC[N@H+]1C[C@]2(F)CN(C[C@H](C)C(=O)OC)C(=O)[C@]2(F)C1 ZINC001275114203 1011954795 /nfs/dbraw/zinc/95/47/95/1011954795.db2.gz KWGAIEVYULLMTI-ZYSHUDEJSA-N 1 2 374.472 2.730 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccc(F)c1Cl)C2 ZINC001275220168 1012093456 /nfs/dbraw/zinc/09/34/56/1012093456.db2.gz MDJGKVRZMMKHMA-SFHVURJKSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(F)c1Cl)C2 ZINC001275220168 1012093467 /nfs/dbraw/zinc/09/34/67/1012093467.db2.gz MDJGKVRZMMKHMA-SFHVURJKSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cccc(F)c1Cl)C2 ZINC001275220167 1012093753 /nfs/dbraw/zinc/09/37/53/1012093753.db2.gz MDJGKVRZMMKHMA-GOSISDBHSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(F)c1Cl)C2 ZINC001275220167 1012093773 /nfs/dbraw/zinc/09/37/73/1012093773.db2.gz MDJGKVRZMMKHMA-GOSISDBHSA-N 1 2 352.837 2.716 20 30 FFEDLO CCC[N@H+](CC(=O)OCC)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172992511 1012197290 /nfs/dbraw/zinc/19/72/90/1012197290.db2.gz YZTVMUQTLQSONG-CABCVRRESA-N 1 2 353.463 2.553 20 30 FFEDLO CCC[N@@H+](CC(=O)OCC)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172992511 1012197304 /nfs/dbraw/zinc/19/73/04/1012197304.db2.gz YZTVMUQTLQSONG-CABCVRRESA-N 1 2 353.463 2.553 20 30 FFEDLO N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2cnccc2C(F)(F)F)C1=O ZINC001275370620 1012379796 /nfs/dbraw/zinc/37/97/96/1012379796.db2.gz NWFDBAYYZXGHOZ-QGZVFWFLSA-N 1 2 366.387 2.971 20 30 FFEDLO N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cnccc2C(F)(F)F)C1=O ZINC001275370620 1012379814 /nfs/dbraw/zinc/37/98/14/1012379814.db2.gz NWFDBAYYZXGHOZ-QGZVFWFLSA-N 1 2 366.387 2.971 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccn2)C3)cc1F ZINC001095096779 1012411384 /nfs/dbraw/zinc/41/13/84/1012411384.db2.gz LINUOFUGEMQPJN-MNEFBYGVSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccn2)C3)cc1F ZINC001095096779 1012411394 /nfs/dbraw/zinc/41/13/94/1012411394.db2.gz LINUOFUGEMQPJN-MNEFBYGVSA-N 1 2 350.397 2.628 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+]2CCc2c(Cl)ncnc2Cl)C1=O ZINC001275533126 1012586616 /nfs/dbraw/zinc/58/66/16/1012586616.db2.gz SRRSDBDIJIXXQT-MRXNPFEDSA-N 1 2 355.269 2.579 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+]2CCc2c(Cl)ncnc2Cl)C1=O ZINC001275533126 1012586622 /nfs/dbraw/zinc/58/66/22/1012586622.db2.gz SRRSDBDIJIXXQT-MRXNPFEDSA-N 1 2 355.269 2.579 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(Br)cs2)C1=O ZINC001275610537 1012696492 /nfs/dbraw/zinc/69/64/92/1012696492.db2.gz GTRXHJCFHVUNEI-HNNXBMFYSA-N 1 2 353.285 2.711 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Br)cs2)C1=O ZINC001275610537 1012696503 /nfs/dbraw/zinc/69/65/03/1012696503.db2.gz GTRXHJCFHVUNEI-HNNXBMFYSA-N 1 2 353.285 2.711 20 30 FFEDLO N#Cc1cccc(N2CCOC[C@]3(CCC[N@H+](Cc4cscn4)C3)C2)n1 ZINC001137592296 1032657352 /nfs/dbraw/zinc/65/73/52/1032657352.db2.gz IGJNKKWKWWGINZ-IBGZPJMESA-N 1 2 369.494 2.529 20 30 FFEDLO N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4cscn4)C3)C2)n1 ZINC001137592296 1032657358 /nfs/dbraw/zinc/65/73/58/1032657358.db2.gz IGJNKKWKWWGINZ-IBGZPJMESA-N 1 2 369.494 2.529 20 30 FFEDLO Cc1[nH]nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)c1C ZINC001095244461 1012834568 /nfs/dbraw/zinc/83/45/68/1012834568.db2.gz DNXBKAIJGVJEOJ-NJAFHUGGSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1[nH]nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)c1C ZINC001095244461 1012834582 /nfs/dbraw/zinc/83/45/82/1012834582.db2.gz DNXBKAIJGVJEOJ-NJAFHUGGSA-N 1 2 367.428 2.573 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)ccc1F ZINC001275715528 1012904538 /nfs/dbraw/zinc/90/45/38/1012904538.db2.gz UUKVSKOGHLJRIG-HZPDHXFCSA-N 1 2 365.246 2.787 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)ccc1F ZINC001275715528 1012904556 /nfs/dbraw/zinc/90/45/56/1012904556.db2.gz UUKVSKOGHLJRIG-HZPDHXFCSA-N 1 2 365.246 2.787 20 30 FFEDLO CC(C)CCC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001217265999 1032673616 /nfs/dbraw/zinc/67/36/16/1032673616.db2.gz VFCGEVDDFKHSFW-VQTJNVASSA-N 1 2 358.457 2.525 20 30 FFEDLO CC(C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001217265999 1032673619 /nfs/dbraw/zinc/67/36/19/1032673619.db2.gz VFCGEVDDFKHSFW-VQTJNVASSA-N 1 2 358.457 2.525 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cc(C)[nH+]c(C3CC3)n2)c1 ZINC001055445799 1017508130 /nfs/dbraw/zinc/50/81/30/1017508130.db2.gz YXQYKIJJWZCGPO-QRVBRYPASA-N 1 2 373.460 2.578 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)nc1C ZINC001097491812 1017539932 /nfs/dbraw/zinc/53/99/32/1017539932.db2.gz CNQLZGMTSJAMFQ-NJYVYQBISA-N 1 2 374.488 2.789 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)nc1C ZINC001097491812 1017539939 /nfs/dbraw/zinc/53/99/39/1017539939.db2.gz CNQLZGMTSJAMFQ-NJYVYQBISA-N 1 2 374.488 2.789 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccc(C)cc1 ZINC001110899713 1017657180 /nfs/dbraw/zinc/65/71/80/1017657180.db2.gz NQRMPXAWMNGHPL-QRVBRYPASA-N 1 2 369.509 2.545 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccc(C)cc1 ZINC001110899713 1017657183 /nfs/dbraw/zinc/65/71/83/1017657183.db2.gz NQRMPXAWMNGHPL-QRVBRYPASA-N 1 2 369.509 2.545 20 30 FFEDLO Cc1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001097615684 1017702566 /nfs/dbraw/zinc/70/25/66/1017702566.db2.gz BLHVSPHMYVYJGP-QRQLOZEOSA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001097615684 1017702577 /nfs/dbraw/zinc/70/25/77/1017702577.db2.gz BLHVSPHMYVYJGP-QRQLOZEOSA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000926277235 1018073420 /nfs/dbraw/zinc/07/34/20/1018073420.db2.gz XQCHZRQFNUBGHJ-IRXDYDNUSA-N 1 2 350.422 2.623 20 30 FFEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCO[C@H]1c1ccccc1)CCO2 ZINC001053291159 1018236958 /nfs/dbraw/zinc/23/69/58/1018236958.db2.gz BCKHPJIMPRTTFN-UXHICEINSA-N 1 2 370.493 2.644 20 30 FFEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927771543 1018660393 /nfs/dbraw/zinc/66/03/93/1018660393.db2.gz MJGCSJFCUNICLS-GOSISDBHSA-N 1 2 372.494 2.796 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001110936426 1018715024 /nfs/dbraw/zinc/71/50/24/1018715024.db2.gz NBIPVJCGSKKQSR-NBYUQASBSA-N 1 2 369.509 2.973 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001110936426 1018715031 /nfs/dbraw/zinc/71/50/31/1018715031.db2.gz NBIPVJCGSKKQSR-NBYUQASBSA-N 1 2 369.509 2.973 20 30 FFEDLO C=CCC1(C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001067711877 1019114676 /nfs/dbraw/zinc/11/46/76/1019114676.db2.gz OULLOSFWHJOPLX-HZPDHXFCSA-N 1 2 358.486 2.567 20 30 FFEDLO C=CCC1(C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001067711877 1019114683 /nfs/dbraw/zinc/11/46/83/1019114683.db2.gz OULLOSFWHJOPLX-HZPDHXFCSA-N 1 2 358.486 2.567 20 30 FFEDLO CN(C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1cccc(F)c1C#N ZINC001067807664 1019144152 /nfs/dbraw/zinc/14/41/52/1019144152.db2.gz IRZMJMQHUOWQGO-RRFJBIMHSA-N 1 2 367.428 2.651 20 30 FFEDLO CN(C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1cccc(F)c1C#N ZINC001067807664 1019144160 /nfs/dbraw/zinc/14/41/60/1019144160.db2.gz IRZMJMQHUOWQGO-RRFJBIMHSA-N 1 2 367.428 2.651 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000801602264 1019161864 /nfs/dbraw/zinc/16/18/64/1019161864.db2.gz YZHXVTJWCKJYMS-SFHVURJKSA-N 1 2 353.378 2.855 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000801602264 1019161871 /nfs/dbraw/zinc/16/18/71/1019161871.db2.gz YZHXVTJWCKJYMS-SFHVURJKSA-N 1 2 353.378 2.855 20 30 FFEDLO C#CC[N@@H+](CC(=O)NCc1ccc(COCC)cc1)Cc1ccccc1 ZINC000796631727 1019258256 /nfs/dbraw/zinc/25/82/56/1019258256.db2.gz HJDOCRRVLVYJRA-UHFFFAOYSA-N 1 2 350.462 2.975 20 30 FFEDLO C#CC[N@H+](CC(=O)NCc1ccc(COCC)cc1)Cc1ccccc1 ZINC000796631727 1019258262 /nfs/dbraw/zinc/25/82/62/1019258262.db2.gz HJDOCRRVLVYJRA-UHFFFAOYSA-N 1 2 350.462 2.975 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)c1ncccn1 ZINC001098080776 1019351281 /nfs/dbraw/zinc/35/12/81/1019351281.db2.gz MRQLDMZEAFREDP-KURKYZTESA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)c1ncccn1 ZINC001098080776 1019351296 /nfs/dbraw/zinc/35/12/96/1019351296.db2.gz MRQLDMZEAFREDP-KURKYZTESA-N 1 2 366.852 2.517 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)c(C)o1 ZINC001098091361 1019433302 /nfs/dbraw/zinc/43/33/02/1019433302.db2.gz CZOZSKDCMMNJJO-QRVBRYPASA-N 1 2 367.424 2.817 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)c(C)o1 ZINC001098091361 1019433308 /nfs/dbraw/zinc/43/33/08/1019433308.db2.gz CZOZSKDCMMNJJO-QRVBRYPASA-N 1 2 367.424 2.817 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)c(C)o1 ZINC001098095193 1019463464 /nfs/dbraw/zinc/46/34/64/1019463464.db2.gz DJKJFIGYMGLSOT-NXHRZFHOSA-N 1 2 368.412 2.838 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)c(C)o1 ZINC001098095193 1019463472 /nfs/dbraw/zinc/46/34/72/1019463472.db2.gz DJKJFIGYMGLSOT-NXHRZFHOSA-N 1 2 368.412 2.838 20 30 FFEDLO COc1c(F)ccc(C[N@@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)c1F ZINC001276383172 1019833538 /nfs/dbraw/zinc/83/35/38/1019833538.db2.gz NUPFGSMZQSVGMH-IBGZPJMESA-N 1 2 363.408 2.844 20 30 FFEDLO COc1c(F)ccc(C[N@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)c1F ZINC001276383172 1019833557 /nfs/dbraw/zinc/83/35/57/1019833557.db2.gz NUPFGSMZQSVGMH-IBGZPJMESA-N 1 2 363.408 2.844 20 30 FFEDLO CCc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)ccn1C ZINC001096015200 1019894668 /nfs/dbraw/zinc/89/46/68/1019894668.db2.gz XNBLLYIDDIZGHS-LMNJBCLMSA-N 1 2 362.477 2.994 20 30 FFEDLO CCc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)ccn1C ZINC001096015200 1019894687 /nfs/dbraw/zinc/89/46/87/1019894687.db2.gz XNBLLYIDDIZGHS-LMNJBCLMSA-N 1 2 362.477 2.994 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)C(C)C)CC1 ZINC001110987905 1020013689 /nfs/dbraw/zinc/01/36/89/1020013689.db2.gz KNAYITCSXURGBD-TVFCKZIOSA-N 1 2 361.530 2.615 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)C(C)C)CC1 ZINC001110987905 1020013700 /nfs/dbraw/zinc/01/37/00/1020013700.db2.gz KNAYITCSXURGBD-TVFCKZIOSA-N 1 2 361.530 2.615 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccns1 ZINC001096306908 1020022357 /nfs/dbraw/zinc/02/23/57/1020022357.db2.gz FCHXCAVXSYXODO-KBMXLJTQSA-N 1 2 370.478 2.638 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccns1 ZINC001096306908 1020022371 /nfs/dbraw/zinc/02/23/71/1020022371.db2.gz FCHXCAVXSYXODO-KBMXLJTQSA-N 1 2 370.478 2.638 20 30 FFEDLO COCC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001111428789 1020073372 /nfs/dbraw/zinc/07/33/72/1020073372.db2.gz LOTLEIVQJSLGQH-AZFSHXRASA-N 1 2 359.445 2.591 20 30 FFEDLO COCC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001111428789 1020073386 /nfs/dbraw/zinc/07/33/86/1020073386.db2.gz LOTLEIVQJSLGQH-AZFSHXRASA-N 1 2 359.445 2.591 20 30 FFEDLO CC(C)C#CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H](C)c3ccccc3Cl)C[C@@H]21 ZINC001217839093 1032882850 /nfs/dbraw/zinc/88/28/50/1032882850.db2.gz DETHLTALFDWZIZ-ZYSHUDEJSA-N 1 2 360.885 2.972 20 30 FFEDLO CC(C)C#CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H](C)c3ccccc3Cl)C[C@@H]21 ZINC001217839093 1032882869 /nfs/dbraw/zinc/88/28/69/1032882869.db2.gz DETHLTALFDWZIZ-ZYSHUDEJSA-N 1 2 360.885 2.972 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)c(C)s2)cn1 ZINC001096382606 1020304252 /nfs/dbraw/zinc/30/42/52/1020304252.db2.gz MBDPWQUPSVVQCW-SQNIBIBYSA-N 1 2 366.490 2.672 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)c(C)s2)cn1 ZINC001096382606 1020304259 /nfs/dbraw/zinc/30/42/59/1020304259.db2.gz MBDPWQUPSVVQCW-SQNIBIBYSA-N 1 2 366.490 2.672 20 30 FFEDLO N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CC[C@H]2c2ccccc2)C1=O ZINC000726586026 1020488269 /nfs/dbraw/zinc/48/82/69/1020488269.db2.gz DTTLHMQJEOCKQU-IBGZPJMESA-N 1 2 360.417 2.727 20 30 FFEDLO N#Cc1ccccc1CN1C(=O)CN(C[N@H+]2CC[C@H]2c2ccccc2)C1=O ZINC000726586026 1020488277 /nfs/dbraw/zinc/48/82/77/1020488277.db2.gz DTTLHMQJEOCKQU-IBGZPJMESA-N 1 2 360.417 2.727 20 30 FFEDLO C[C@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@H+](Cc3cncc(C#N)c3)C2)O1 ZINC000931704824 1020556136 /nfs/dbraw/zinc/55/61/36/1020556136.db2.gz RNWDCICKIRRKBW-AVRDEDQJSA-N 1 2 362.477 2.819 20 30 FFEDLO C[C@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@@H+](Cc3cncc(C#N)c3)C2)O1 ZINC000931704824 1020556138 /nfs/dbraw/zinc/55/61/38/1020556138.db2.gz RNWDCICKIRRKBW-AVRDEDQJSA-N 1 2 362.477 2.819 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001046327093 1020590927 /nfs/dbraw/zinc/59/09/27/1020590927.db2.gz GQJWFFNXPVFEDW-SYNHAJSKSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001046327093 1020590932 /nfs/dbraw/zinc/59/09/32/1020590932.db2.gz GQJWFFNXPVFEDW-SYNHAJSKSA-N 1 2 361.486 2.860 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCO[C@@H](CNC(=O)[C@]34C[C@H]3CCC4)C2)c1 ZINC001073705936 1020607316 /nfs/dbraw/zinc/60/73/16/1020607316.db2.gz CKSNWASXOSNDAG-LVCYWYKZSA-N 1 2 371.456 2.595 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CCCO[C@@H](CNC(=O)[C@]34C[C@H]3CCC4)C2)c1 ZINC001073705936 1020607323 /nfs/dbraw/zinc/60/73/23/1020607323.db2.gz CKSNWASXOSNDAG-LVCYWYKZSA-N 1 2 371.456 2.595 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1CC ZINC001049046354 1020699425 /nfs/dbraw/zinc/69/94/25/1020699425.db2.gz CASRHEKMEHKVFX-OKYOBFRVSA-N 1 2 372.513 2.857 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3nccn3c1)C2 ZINC001098190852 1020717525 /nfs/dbraw/zinc/71/75/25/1020717525.db2.gz QVZPAVQOQIUHCS-AQNXPRMDSA-N 1 2 371.444 2.741 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3nccn3c1)C2 ZINC001098190852 1020717530 /nfs/dbraw/zinc/71/75/30/1020717530.db2.gz QVZPAVQOQIUHCS-AQNXPRMDSA-N 1 2 371.444 2.741 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(F)ccc2F)nc1 ZINC001098237435 1020754246 /nfs/dbraw/zinc/75/42/46/1020754246.db2.gz SLWYQULSNIONEU-AHRSYUTCSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(F)ccc2F)nc1 ZINC001098237435 1020754251 /nfs/dbraw/zinc/75/42/51/1020754251.db2.gz SLWYQULSNIONEU-AHRSYUTCSA-N 1 2 367.399 2.876 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(NC(=O)NC)cc1)C2 ZINC001098479623 1020948878 /nfs/dbraw/zinc/94/88/78/1020948878.db2.gz RFWCUNALYBHQFN-OAGGEKHMSA-N 1 2 362.861 2.526 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(NC(=O)NC)cc1)C2 ZINC001098479623 1020948887 /nfs/dbraw/zinc/94/88/87/1020948887.db2.gz RFWCUNALYBHQFN-OAGGEKHMSA-N 1 2 362.861 2.526 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@H+](C[C@@H]3CN(c4ccccc4)CCO3)CCO2)cc1 ZINC000933631092 1021055116 /nfs/dbraw/zinc/05/51/16/1021055116.db2.gz ZWXUZXHMDOKRQR-FGZHOGPDSA-N 1 2 363.461 2.837 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@@H+](C[C@@H]3CN(c4ccccc4)CCO3)CCO2)cc1 ZINC000933631092 1021055123 /nfs/dbraw/zinc/05/51/23/1021055123.db2.gz ZWXUZXHMDOKRQR-FGZHOGPDSA-N 1 2 363.461 2.837 20 30 FFEDLO CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933653700 1021059633 /nfs/dbraw/zinc/05/96/33/1021059633.db2.gz VXYAVEAXCOWMJZ-OAHLLOKOSA-N 1 2 358.438 2.750 20 30 FFEDLO Cc1ccc(F)c(N2CCC[C@H]([NH+]3CCC4(CC3)CC(=O)C=CO4)C2=O)c1 ZINC000933652207 1021059760 /nfs/dbraw/zinc/05/97/60/1021059760.db2.gz UAJUTBSXFFJERP-SFHVURJKSA-N 1 2 372.440 2.967 20 30 FFEDLO C=CCn1cc2ccc(NC(=O)N3C[C@H]([NH+]4CCOCC4)C[C@H]3C)cc2n1 ZINC000933669159 1021064651 /nfs/dbraw/zinc/06/46/51/1021064651.db2.gz CIVCDKWUJAJOEM-CRAIPNDOSA-N 1 2 369.469 2.549 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C3)[nH]1 ZINC001098794527 1021153184 /nfs/dbraw/zinc/15/31/84/1021153184.db2.gz PLJSLVIKWSMQHL-RHUABVPFSA-N 1 2 353.253 2.790 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](C/C(Cl)=C\Cl)C3)[nH]1 ZINC001098794527 1021153188 /nfs/dbraw/zinc/15/31/88/1021153188.db2.gz PLJSLVIKWSMQHL-RHUABVPFSA-N 1 2 353.253 2.790 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3Cc4ncccc4N4CCC[C@H]4C3)o2)c1 ZINC000934488244 1021256901 /nfs/dbraw/zinc/25/69/01/1021256901.db2.gz DUNJYGZNOWICKW-KRWDZBQOSA-N 1 2 372.432 2.988 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3Cc4ncccc4N4CCC[C@H]4C3)o2)c1 ZINC000934488244 1021256905 /nfs/dbraw/zinc/25/69/05/1021256905.db2.gz DUNJYGZNOWICKW-KRWDZBQOSA-N 1 2 372.432 2.988 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2CC[N@H+](Cc3csc(C4CC4)n3)[C@H]2C1 ZINC001222448131 1032981280 /nfs/dbraw/zinc/98/12/80/1032981280.db2.gz KWFQHVOILOZYDM-PBHICJAKSA-N 1 2 361.511 2.646 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2CC[N@@H+](Cc3csc(C4CC4)n3)[C@H]2C1 ZINC001222448131 1032981284 /nfs/dbraw/zinc/98/12/84/1032981284.db2.gz KWFQHVOILOZYDM-PBHICJAKSA-N 1 2 361.511 2.646 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC001015727084 1021945815 /nfs/dbraw/zinc/94/58/15/1021945815.db2.gz VFYQYDZMLBKLCS-UHOSZYNNSA-N 1 2 367.449 2.623 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC001015727084 1021945827 /nfs/dbraw/zinc/94/58/27/1021945827.db2.gz VFYQYDZMLBKLCS-UHOSZYNNSA-N 1 2 367.449 2.623 20 30 FFEDLO CC(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001099215116 1022102465 /nfs/dbraw/zinc/10/24/65/1022102465.db2.gz ZUWIVRLHMSHPAH-HUUCEWRRSA-N 1 2 357.351 2.832 20 30 FFEDLO COCCC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001111244742 1022580103 /nfs/dbraw/zinc/58/01/03/1022580103.db2.gz QPULKBJPDBRVEI-JRJVTICQSA-N 1 2 373.472 2.982 20 30 FFEDLO COCCC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001111244742 1022580115 /nfs/dbraw/zinc/58/01/15/1022580115.db2.gz QPULKBJPDBRVEI-JRJVTICQSA-N 1 2 373.472 2.982 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cc(F)ccc1OC ZINC001038267666 1022640292 /nfs/dbraw/zinc/64/02/92/1022640292.db2.gz XWTAWOHZXCSVDH-KURKYZTESA-N 1 2 362.445 2.506 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cc(F)ccc1OC ZINC001038267666 1022640299 /nfs/dbraw/zinc/64/02/99/1022640299.db2.gz XWTAWOHZXCSVDH-KURKYZTESA-N 1 2 362.445 2.506 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1F ZINC001038277094 1022650363 /nfs/dbraw/zinc/65/03/63/1022650363.db2.gz RSNLFTBLIIMTJN-TWKWOARYSA-N 1 2 353.441 2.990 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1F ZINC001038277094 1022650376 /nfs/dbraw/zinc/65/03/76/1022650376.db2.gz RSNLFTBLIIMTJN-TWKWOARYSA-N 1 2 353.441 2.990 20 30 FFEDLO N#Cc1ccc(OCCC[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000159326488 1022653515 /nfs/dbraw/zinc/65/35/15/1022653515.db2.gz KGYUSBHXIRAFFN-MJGOQNOKSA-N 1 2 356.422 2.745 20 30 FFEDLO N#Cc1ccc(OCCC[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000159326488 1022653525 /nfs/dbraw/zinc/65/35/25/1022653525.db2.gz KGYUSBHXIRAFFN-MJGOQNOKSA-N 1 2 356.422 2.745 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C(F)(F)F)c1 ZINC001038720308 1022689513 /nfs/dbraw/zinc/68/95/13/1022689513.db2.gz QUHRFSGKTVXQRB-BBWFWOEESA-N 1 2 368.399 2.987 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC001038720308 1022689523 /nfs/dbraw/zinc/68/95/23/1022689523.db2.gz QUHRFSGKTVXQRB-BBWFWOEESA-N 1 2 368.399 2.987 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(CCC)s3)[C@H]2C1 ZINC001222617597 1033075874 /nfs/dbraw/zinc/07/58/74/1033075874.db2.gz HHBHJRMLUOZHDV-CVEARBPZSA-N 1 2 360.527 2.717 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(CCC)s3)[C@H]2C1 ZINC001222617597 1033075886 /nfs/dbraw/zinc/07/58/86/1033075886.db2.gz HHBHJRMLUOZHDV-CVEARBPZSA-N 1 2 360.527 2.717 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccn1 ZINC001039593830 1022770118 /nfs/dbraw/zinc/77/01/18/1022770118.db2.gz XPCFBQFUWMMQBW-WCIQWLHISA-N 1 2 355.482 2.628 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccn1 ZINC001039593830 1022770130 /nfs/dbraw/zinc/77/01/30/1022770130.db2.gz XPCFBQFUWMMQBW-WCIQWLHISA-N 1 2 355.482 2.628 20 30 FFEDLO CCC[C@@H](C)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CCOC ZINC001122344392 1023205649 /nfs/dbraw/zinc/20/56/49/1023205649.db2.gz GZUQBCAKJPETHT-MRXNPFEDSA-N 1 2 362.522 2.642 20 30 FFEDLO COC(=O)[C@H]1[NH2+]CC[C@H]1Oc1ccc(/C=C\C(=O)c2ccccc2)cc1 ZINC001218346129 1033117227 /nfs/dbraw/zinc/11/72/27/1033117227.db2.gz HTDWFVSCARVMMR-IHZMKLEDSA-N 1 2 351.402 2.865 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](OCC)C3CC3)C[C@@H]21 ZINC001222688785 1033116219 /nfs/dbraw/zinc/11/62/19/1033116219.db2.gz CTYWDAZJKXJLNO-KBMXLJTQSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](OCC)C3CC3)C[C@@H]21 ZINC001222688785 1033116224 /nfs/dbraw/zinc/11/62/24/1033116224.db2.gz CTYWDAZJKXJLNO-KBMXLJTQSA-N 1 2 371.319 2.633 20 30 FFEDLO COCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC(C)(C)C[C@H]1C ZINC001122433642 1023264175 /nfs/dbraw/zinc/26/41/75/1023264175.db2.gz SPCZYAJKDFFIJP-MRXNPFEDSA-N 1 2 374.533 2.642 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@H]1C[C@H](OC)C12CCC2 ZINC001122490333 1023301617 /nfs/dbraw/zinc/30/16/17/1023301617.db2.gz KBAYTIHWEGRLEE-HOTGVXAUSA-N 1 2 370.501 2.572 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@@H](C)[C@H](F)C1 ZINC001122630468 1023378681 /nfs/dbraw/zinc/37/86/81/1023378681.db2.gz ZTXUUQQVJAEMST-ZACQAIPSSA-N 1 2 365.497 2.820 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@@H](C)[C@H](F)C1 ZINC001122630468 1023378687 /nfs/dbraw/zinc/37/86/87/1023378687.db2.gz ZTXUUQQVJAEMST-ZACQAIPSSA-N 1 2 365.497 2.820 20 30 FFEDLO N#C[C@@H](C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(F)n1 ZINC001122632174 1023380926 /nfs/dbraw/zinc/38/09/26/1023380926.db2.gz QYXWWTZNYZGSBP-GFCCVEGCSA-N 1 2 351.297 2.805 20 30 FFEDLO NC(=[NH+]OCC(=O)NCCCC1CCCCC1)c1ccc2c(c1)CCO2 ZINC000753822241 1023386146 /nfs/dbraw/zinc/38/61/46/1023386146.db2.gz PHAGQHUDANFEDM-UHFFFAOYSA-N 1 2 359.470 2.735 20 30 FFEDLO CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1cnn(-c2ccc(C#N)cc2)c1C ZINC000753936124 1023402937 /nfs/dbraw/zinc/40/29/37/1023402937.db2.gz QUGQOPHCDOYABQ-RTBURBONSA-N 1 2 361.453 2.636 20 30 FFEDLO C#CC[N@@H+](CC(=O)N1CC(=O)Nc2ccccc21)[C@@H]1CCc2ccccc21 ZINC000076996692 1023510648 /nfs/dbraw/zinc/51/06/48/1023510648.db2.gz JMAVLWHEVYVSRI-LJQANCHMSA-N 1 2 359.429 2.594 20 30 FFEDLO C#CC[N@H+](CC(=O)N1CC(=O)Nc2ccccc21)[C@@H]1CCc2ccccc21 ZINC000076996692 1023510650 /nfs/dbraw/zinc/51/06/50/1023510650.db2.gz JMAVLWHEVYVSRI-LJQANCHMSA-N 1 2 359.429 2.594 20 30 FFEDLO C#CCN(C)c1nnc([C@@H](C)[N@H+](C)Cc2ccccc2)n1C[C@H]1CCCO1 ZINC001122872815 1023526669 /nfs/dbraw/zinc/52/66/69/1023526669.db2.gz LTPHJCZTYREGGU-IEBWSBKVSA-N 1 2 367.497 2.720 20 30 FFEDLO C#CCN(C)c1nnc([C@@H](C)[N@@H+](C)Cc2ccccc2)n1C[C@H]1CCCO1 ZINC001122872815 1023526672 /nfs/dbraw/zinc/52/66/72/1023526672.db2.gz LTPHJCZTYREGGU-IEBWSBKVSA-N 1 2 367.497 2.720 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)N[C@H](c2ccccc2)C2CC2)cc1 ZINC000077377644 1023598566 /nfs/dbraw/zinc/59/85/66/1023598566.db2.gz VZSNWXKGBBJZLX-LJQANCHMSA-N 1 2 353.422 2.600 20 30 FFEDLO Cc1ccc(CN(C)c2nnc(C3CC[NH+](CCC#N)CC3)n2C)s1 ZINC001121415061 1023760277 /nfs/dbraw/zinc/76/02/77/1023760277.db2.gz HTMWAAXSZFBVKG-UHFFFAOYSA-N 1 2 358.515 2.915 20 30 FFEDLO C=CCO[C@H]1CCN(c2nnc([C@H](C)[N@H+](C)Cc3ccccc3)n2C)C1 ZINC001121420137 1023763689 /nfs/dbraw/zinc/76/36/89/1023763689.db2.gz QWVSRAUVXHUUIX-WMZOPIPTSA-N 1 2 355.486 2.789 20 30 FFEDLO C=CCO[C@H]1CCN(c2nnc([C@H](C)[N@@H+](C)Cc3ccccc3)n2C)C1 ZINC001121420137 1023763693 /nfs/dbraw/zinc/76/36/93/1023763693.db2.gz QWVSRAUVXHUUIX-WMZOPIPTSA-N 1 2 355.486 2.789 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)Cc1ccoc1C ZINC001121492346 1023807506 /nfs/dbraw/zinc/80/75/06/1023807506.db2.gz FGCXUTWTEYDCLU-MSOLQXFVSA-N 1 2 371.485 2.928 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)Cc1ccoc1C ZINC001121492346 1023807508 /nfs/dbraw/zinc/80/75/08/1023807508.db2.gz FGCXUTWTEYDCLU-MSOLQXFVSA-N 1 2 371.485 2.928 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)[C@@H]1CC[C@@H]1OC ZINC001121591214 1023869173 /nfs/dbraw/zinc/86/91/73/1023869173.db2.gz WSTUUIWHOMUPIQ-ZACQAIPSSA-N 1 2 358.490 2.910 20 30 FFEDLO C=CC(C)(C)Cc1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1CC ZINC001121663401 1023911815 /nfs/dbraw/zinc/91/18/15/1023911815.db2.gz AHPSNTXMSSMVDH-UHFFFAOYSA-N 1 2 358.490 2.671 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCN(CCC)c1nc(C)[nH+]c(C)c1C ZINC001101251175 1024194906 /nfs/dbraw/zinc/19/49/06/1024194906.db2.gz FQMUTWRRSOCHTA-MSOLQXFVSA-N 1 2 360.502 2.716 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CC4)no3)C[C@@]2(C)C1 ZINC001101252319 1024201347 /nfs/dbraw/zinc/20/13/47/1024201347.db2.gz HJLFOLFVNFRENO-QRWLVFNGSA-N 1 2 358.486 2.830 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CC4)no3)C[C@@]2(C)C1 ZINC001101252319 1024201359 /nfs/dbraw/zinc/20/13/59/1024201359.db2.gz HJLFOLFVNFRENO-QRWLVFNGSA-N 1 2 358.486 2.830 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C(C)(C)C)C[C@@]2(C)C1 ZINC001101347064 1024511877 /nfs/dbraw/zinc/51/18/77/1024511877.db2.gz UMDOLEACSMRZLI-UZLBHIALSA-N 1 2 359.518 2.670 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C(C)(C)C)C[C@@]2(C)C1 ZINC001101347064 1024511881 /nfs/dbraw/zinc/51/18/81/1024511881.db2.gz UMDOLEACSMRZLI-UZLBHIALSA-N 1 2 359.518 2.670 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nc(CC)no4)C[C@@]3(C)C2)CC1 ZINC001101355039 1024533142 /nfs/dbraw/zinc/53/31/42/1024533142.db2.gz LCPZQCHOIBCHIZ-BEFAXECRSA-N 1 2 358.486 2.659 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nc(CC)no4)C[C@@]3(C)C2)CC1 ZINC001101355039 1024533143 /nfs/dbraw/zinc/53/31/43/1024533143.db2.gz LCPZQCHOIBCHIZ-BEFAXECRSA-N 1 2 358.486 2.659 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(CC)o4)C[C@@]3(C)C2)CCC1 ZINC001101355331 1024534613 /nfs/dbraw/zinc/53/46/13/1024534613.db2.gz ZVZWEQLTJRKVBT-BEFAXECRSA-N 1 2 358.486 2.659 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(CC)o4)C[C@@]3(C)C2)CCC1 ZINC001101355331 1024534619 /nfs/dbraw/zinc/53/46/19/1024534619.db2.gz ZVZWEQLTJRKVBT-BEFAXECRSA-N 1 2 358.486 2.659 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2nc(C)c3ccccc3n2)cc1OC ZINC000193574524 1024572434 /nfs/dbraw/zinc/57/24/34/1024572434.db2.gz OXLPIVRSJKBERY-UHFFFAOYSA-N 1 2 352.394 2.793 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)o3)C[C@@]2(C)C1 ZINC001101377769 1024583932 /nfs/dbraw/zinc/58/39/32/1024583932.db2.gz HGHSNBYUHVJKDI-QRWLVFNGSA-N 1 2 358.486 2.830 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)o3)C[C@@]2(C)C1 ZINC001101377769 1024583938 /nfs/dbraw/zinc/58/39/38/1024583938.db2.gz HGHSNBYUHVJKDI-QRWLVFNGSA-N 1 2 358.486 2.830 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CC4)no3)C[C@@]2(C)C1 ZINC001101378955 1024588183 /nfs/dbraw/zinc/58/81/83/1024588183.db2.gz NZDVYNYYIBOSBG-QRWLVFNGSA-N 1 2 358.486 2.830 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CC4)no3)C[C@@]2(C)C1 ZINC001101378955 1024588190 /nfs/dbraw/zinc/58/81/90/1024588190.db2.gz NZDVYNYYIBOSBG-QRWLVFNGSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](Cc2ccc(C)c(OC)c2)C1 ZINC000951785184 1024702350 /nfs/dbraw/zinc/70/23/50/1024702350.db2.gz BJUMMLPTAPAJOI-MOPGFXCFSA-N 1 2 358.482 2.627 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000952791786 1025154011 /nfs/dbraw/zinc/15/40/11/1025154011.db2.gz SBBHKQXYEOCIKX-GSZDEIQRSA-N 1 2 370.497 2.707 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000952791786 1025154016 /nfs/dbraw/zinc/15/40/16/1025154016.db2.gz SBBHKQXYEOCIKX-GSZDEIQRSA-N 1 2 370.497 2.707 20 30 FFEDLO CC#CCCCC(=O)NC[C@@H]1C[N@H+](Cc2noc(-c3ccoc3)n2)C[C@H]1C ZINC001102255106 1025645075 /nfs/dbraw/zinc/64/50/75/1025645075.db2.gz UEIJVSNLSFCDIW-NVXWUHKLSA-N 1 2 370.453 2.707 20 30 FFEDLO CC#CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2noc(-c3ccoc3)n2)C[C@H]1C ZINC001102255106 1025645084 /nfs/dbraw/zinc/64/50/84/1025645084.db2.gz UEIJVSNLSFCDIW-NVXWUHKLSA-N 1 2 370.453 2.707 20 30 FFEDLO C=CCOC(=O)N1CC[NH+](Cc2ccc(OC3CCOCC3)cc2)CC1 ZINC001141417878 1026243877 /nfs/dbraw/zinc/24/38/77/1026243877.db2.gz INMKKWRHLYLEPX-UHFFFAOYSA-N 1 2 360.454 2.685 20 30 FFEDLO C=CCO[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001102609492 1026423804 /nfs/dbraw/zinc/42/38/04/1026423804.db2.gz BDFMKADFOAJHTC-JHJVBQTASA-N 1 2 357.907 2.572 20 30 FFEDLO C=CCO[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001102609492 1026423807 /nfs/dbraw/zinc/42/38/07/1026423807.db2.gz BDFMKADFOAJHTC-JHJVBQTASA-N 1 2 357.907 2.572 20 30 FFEDLO C#Cc1cccc(CNC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)c1 ZINC000838722882 1026479793 /nfs/dbraw/zinc/47/97/93/1026479793.db2.gz JIDJZYFXNACSON-UHFFFAOYSA-N 1 2 363.461 2.704 20 30 FFEDLO CC#CC[NH2+]Cc1cn(Cc2csc(COc3ccc(C)cc3)n2)nn1 ZINC000640892878 1027006120 /nfs/dbraw/zinc/00/61/20/1027006120.db2.gz GRGOHRIKBJSIIM-UHFFFAOYSA-N 1 2 367.478 2.783 20 30 FFEDLO C#Cc1cccc(NC(=O)CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC001141948902 1027206342 /nfs/dbraw/zinc/20/63/42/1027206342.db2.gz FJMLZDGNPOXXRZ-LJQANCHMSA-N 1 2 372.428 2.668 20 30 FFEDLO C=CCOc1ccccc1[C@@H](C)Nc1cc(N2CCC[C@H]2C(N)=O)nc[nH+]1 ZINC001160182696 1027626986 /nfs/dbraw/zinc/62/69/86/1027626986.db2.gz KHGJMCNOWZPMSD-ZBFHGGJFSA-N 1 2 367.453 2.669 20 30 FFEDLO C=CCOc1ccccc1[C@@H](C)Nc1cc(N2CCC[C@H]2C(N)=O)[nH+]cn1 ZINC001160182696 1027626995 /nfs/dbraw/zinc/62/69/95/1027626995.db2.gz KHGJMCNOWZPMSD-ZBFHGGJFSA-N 1 2 367.453 2.669 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Br ZINC001153441611 1027883527 /nfs/dbraw/zinc/88/35/27/1027883527.db2.gz GFYQPBRSYWOOEA-KFWWJZLASA-N 1 2 359.308 2.703 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Br ZINC001153441611 1027883545 /nfs/dbraw/zinc/88/35/45/1027883545.db2.gz GFYQPBRSYWOOEA-KFWWJZLASA-N 1 2 359.308 2.703 20 30 FFEDLO CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(F)(F)c1nc(Cl)ccc1C#N ZINC001162876137 1028689853 /nfs/dbraw/zinc/68/98/53/1028689853.db2.gz PVEXUUPLELFEKE-ZDUSSCGKSA-N 1 2 372.847 2.992 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C)s1 ZINC001155757520 1028893827 /nfs/dbraw/zinc/89/38/27/1028893827.db2.gz UANFDWKDHDJRSL-KMFMINBZSA-N 1 2 351.516 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C)s1 ZINC001155757520 1028893847 /nfs/dbraw/zinc/89/38/47/1028893847.db2.gz UANFDWKDHDJRSL-KMFMINBZSA-N 1 2 351.516 2.759 20 30 FFEDLO COc1c[nH+]c(N2CCN(c3ccccc3C#N)CC2)nc1NC(C)C ZINC001163612958 1028991201 /nfs/dbraw/zinc/99/12/01/1028991201.db2.gz YBEDTMPABUYKLU-UHFFFAOYSA-N 1 2 352.442 2.504 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1CC(C)C)C2 ZINC001111711103 1029209749 /nfs/dbraw/zinc/20/97/49/1029209749.db2.gz BUQINHMGAXCABN-RXVVDRJESA-N 1 2 371.529 2.598 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1CC(C)C)C2 ZINC001111711103 1029209759 /nfs/dbraw/zinc/20/97/59/1029209759.db2.gz BUQINHMGAXCABN-RXVVDRJESA-N 1 2 371.529 2.598 20 30 FFEDLO N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[NH2+]CC(F)(F)C2)cc1 ZINC001164502462 1029301979 /nfs/dbraw/zinc/30/19/79/1029301979.db2.gz UXGYWEHCVUWPBY-UHFFFAOYSA-N 1 2 365.771 2.839 20 30 FFEDLO CCc1nnc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)o1 ZINC001111742709 1029310057 /nfs/dbraw/zinc/31/00/57/1029310057.db2.gz KQMKCKYFQGSWDB-AVYPCKFXSA-N 1 2 358.486 2.713 20 30 FFEDLO CCc1nnc([C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)o1 ZINC001111742709 1029310074 /nfs/dbraw/zinc/31/00/74/1029310074.db2.gz KQMKCKYFQGSWDB-AVYPCKFXSA-N 1 2 358.486 2.713 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(C(C)C)no1)C2 ZINC001111846228 1029609231 /nfs/dbraw/zinc/60/92/31/1029609231.db2.gz WRNPBVIIINRLFN-JXFKEZNVSA-N 1 2 358.486 2.857 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(C(C)C)no1)C2 ZINC001111846228 1029609235 /nfs/dbraw/zinc/60/92/35/1029609235.db2.gz WRNPBVIIINRLFN-JXFKEZNVSA-N 1 2 358.486 2.857 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1C(C)C)C2 ZINC001111845823 1029609457 /nfs/dbraw/zinc/60/94/57/1029609457.db2.gz BLHDVOACQSYKIF-PXNSSMCTSA-N 1 2 357.502 2.523 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1C(C)C)C2 ZINC001111845823 1029609458 /nfs/dbraw/zinc/60/94/58/1029609458.db2.gz BLHDVOACQSYKIF-PXNSSMCTSA-N 1 2 357.502 2.523 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2csc(-c3ccsc3)n2)C[C@H]1C ZINC001206662701 1029667394 /nfs/dbraw/zinc/66/73/94/1029667394.db2.gz RFMSQHRLMAYINP-YWPYICTPSA-N 1 2 360.508 2.968 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2csc(-c3ccsc3)n2)C[C@H]1C ZINC001206662701 1029667395 /nfs/dbraw/zinc/66/73/95/1029667395.db2.gz RFMSQHRLMAYINP-YWPYICTPSA-N 1 2 360.508 2.968 20 30 FFEDLO C=CCCN(OCc1ccccc1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000782969477 1029867810 /nfs/dbraw/zinc/86/78/10/1029867810.db2.gz WWXCHUSYFVDZFZ-UHFFFAOYSA-N 1 2 361.486 2.817 20 30 FFEDLO C=CCCN(OCc1ccccc1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000782969477 1029867813 /nfs/dbraw/zinc/86/78/13/1029867813.db2.gz WWXCHUSYFVDZFZ-UHFFFAOYSA-N 1 2 361.486 2.817 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1csc(CC)n1)C2 ZINC001112018888 1029867914 /nfs/dbraw/zinc/86/79/14/1029867914.db2.gz RIEIQWFPICOVHV-DOXZYTNZSA-N 1 2 363.527 2.767 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1csc(CC)n1)C2 ZINC001112018888 1029867919 /nfs/dbraw/zinc/86/79/19/1029867919.db2.gz RIEIQWFPICOVHV-DOXZYTNZSA-N 1 2 363.527 2.767 20 30 FFEDLO N#CCc1cnc(N2CCc3onc(Cn4cc[nH+]c4)c3C2)c(Cl)c1 ZINC001165548557 1030020130 /nfs/dbraw/zinc/02/01/30/1030020130.db2.gz LTTDFHRPCWVFRW-UHFFFAOYSA-N 1 2 354.801 2.597 20 30 FFEDLO N#CC1(c2ccc(N3CCc4onc(Cn5cc[nH+]c5)c4C3)nc2)CCC1 ZINC001165549762 1030021951 /nfs/dbraw/zinc/02/19/51/1030021951.db2.gz WMRREWLZENUJTE-UHFFFAOYSA-N 1 2 360.421 2.822 20 30 FFEDLO Cc1ccc(C(=O)/C=C/C(=O)NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC001142271829 1030244281 /nfs/dbraw/zinc/24/42/81/1030244281.db2.gz KCEUIEYNRQAXEW-VOTSOKGWSA-N 1 2 354.475 2.970 20 30 FFEDLO Cc1ccc(C(=O)/C=C/C(=O)NCC[N@H+]2CCc3sccc3C2)cc1 ZINC001142271829 1030244295 /nfs/dbraw/zinc/24/42/95/1030244295.db2.gz KCEUIEYNRQAXEW-VOTSOKGWSA-N 1 2 354.475 2.970 20 30 FFEDLO C=C[C@H]1C[C@@]1(NC(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1)C(=O)OCC ZINC001142373783 1030370637 /nfs/dbraw/zinc/37/06/37/1030370637.db2.gz HRVGQOLYKDBZKS-VXUXFXFSSA-N 1 2 365.433 2.569 20 30 FFEDLO N#CCCCNC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000784455162 1030627229 /nfs/dbraw/zinc/62/72/29/1030627229.db2.gz UAFMBCZDIJXIRG-UHFFFAOYSA-N 1 2 370.375 2.716 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1nc2cc(OC)ccc2[nH]1 ZINC001276407605 1030645831 /nfs/dbraw/zinc/64/58/31/1030645831.db2.gz ZTNPZCCYSYTCAS-FQEVSTJZSA-N 1 2 354.454 2.715 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1nc2cc(OC)ccc2[nH]1 ZINC001276407605 1030645838 /nfs/dbraw/zinc/64/58/38/1030645838.db2.gz ZTNPZCCYSYTCAS-FQEVSTJZSA-N 1 2 354.454 2.715 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cnc(C)cc1C(F)(F)F ZINC001276476057 1031411493 /nfs/dbraw/zinc/41/14/93/1031411493.db2.gz JRQMICKSVNASRN-SFHVURJKSA-N 1 2 365.399 2.999 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cnc(C)cc1C(F)(F)F ZINC001276476057 1031411501 /nfs/dbraw/zinc/41/15/01/1031411501.db2.gz JRQMICKSVNASRN-SFHVURJKSA-N 1 2 365.399 2.999 20 30 FFEDLO C=CCCC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1O ZINC001205102995 1031525243 /nfs/dbraw/zinc/52/52/43/1031525243.db2.gz GTTHNWYSSFOMBU-RTBURBONSA-N 1 2 371.506 2.683 20 30 FFEDLO C=CCCC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1O ZINC001205102995 1031525255 /nfs/dbraw/zinc/52/52/55/1031525255.db2.gz GTTHNWYSSFOMBU-RTBURBONSA-N 1 2 371.506 2.683 20 30 FFEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H](O)c2ccc(F)cn2)CC1 ZINC000799324137 1031739081 /nfs/dbraw/zinc/73/90/81/1031739081.db2.gz KWYFXLRDNWPFBX-MOPGFXCFSA-N 1 2 374.847 2.790 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001115579834 1031874965 /nfs/dbraw/zinc/87/49/65/1031874965.db2.gz FBJGHZQDPVSPEQ-LNLFQRSKSA-N 1 2 358.486 2.805 20 30 FFEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001219340527 1033604872 /nfs/dbraw/zinc/60/48/72/1033604872.db2.gz GVIXIVBOUYENPD-LZQZEXGQSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001219340527 1033604879 /nfs/dbraw/zinc/60/48/79/1033604879.db2.gz GVIXIVBOUYENPD-LZQZEXGQSA-N 1 2 362.901 2.679 20 30 FFEDLO CC(C)(C)CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001219361816 1033617619 /nfs/dbraw/zinc/61/76/19/1033617619.db2.gz GUYQUISEUIVQTR-MOPGFXCFSA-N 1 2 360.473 2.555 20 30 FFEDLO CC(C)(C)CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001219361816 1033617625 /nfs/dbraw/zinc/61/76/25/1033617625.db2.gz GUYQUISEUIVQTR-MOPGFXCFSA-N 1 2 360.473 2.555 20 30 FFEDLO CC(C)(C)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001219362383 1033618121 /nfs/dbraw/zinc/61/81/21/1033618121.db2.gz YURRPDSZCXTXSJ-MSOLQXFVSA-N 1 2 361.461 2.575 20 30 FFEDLO CC(C)(C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001219362383 1033618123 /nfs/dbraw/zinc/61/81/23/1033618123.db2.gz YURRPDSZCXTXSJ-MSOLQXFVSA-N 1 2 361.461 2.575 20 30 FFEDLO CCC[C@@H](C)CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219700416 1033766307 /nfs/dbraw/zinc/76/63/07/1033766307.db2.gz QYVKMPWQPWVSKC-NRSPTQNISA-N 1 2 356.510 2.806 20 30 FFEDLO CCC[C@@H](C)CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219700416 1033766317 /nfs/dbraw/zinc/76/63/17/1033766317.db2.gz QYVKMPWQPWVSKC-NRSPTQNISA-N 1 2 356.510 2.806 20 30 FFEDLO C=C(C)CN1c2ccccc2C2(CC[NH+](CC(=O)OC(C)C)CC2)C1=O ZINC001276965566 1033855975 /nfs/dbraw/zinc/85/59/75/1033855975.db2.gz OLLJDAGNKIZNPS-UHFFFAOYSA-N 1 2 356.466 2.895 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccc2Cl)C[C@@H]1O ZINC001220133656 1033999795 /nfs/dbraw/zinc/99/97/95/1033999795.db2.gz JKVSFZKCQSDNOD-SJORKVTESA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccc2Cl)C[C@@H]1O ZINC001220133656 1033999802 /nfs/dbraw/zinc/99/98/02/1033999802.db2.gz JKVSFZKCQSDNOD-SJORKVTESA-N 1 2 366.889 2.612 20 30 FFEDLO CC(C)=CCC[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220401544 1034149538 /nfs/dbraw/zinc/14/95/38/1034149538.db2.gz FJBJIERIEQGUNC-NNWRFLSQSA-N 1 2 368.521 2.972 20 30 FFEDLO CC(C)=CCC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220401544 1034149542 /nfs/dbraw/zinc/14/95/42/1034149542.db2.gz FJBJIERIEQGUNC-NNWRFLSQSA-N 1 2 368.521 2.972 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3c2c(F)ccc3F)C[C@@H]1O ZINC001220434650 1034175506 /nfs/dbraw/zinc/17/55/06/1034175506.db2.gz VEQZTWKHYHYGTE-IKGGRYGDSA-N 1 2 364.436 2.716 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCc3c2c(F)ccc3F)C[C@@H]1O ZINC001220434650 1034175514 /nfs/dbraw/zinc/17/55/14/1034175514.db2.gz VEQZTWKHYHYGTE-IKGGRYGDSA-N 1 2 364.436 2.716 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2Cc3c(cnn3C)[C@H](COCC)C2)cc1OC ZINC001138344992 1034176848 /nfs/dbraw/zinc/17/68/48/1034176848.db2.gz DFMKQLAHNKBXCR-KRWDZBQOSA-N 1 2 369.465 2.577 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2Cc3c(cnn3C)[C@H](COCC)C2)cc1OC ZINC001138344992 1034176856 /nfs/dbraw/zinc/17/68/56/1034176856.db2.gz DFMKQLAHNKBXCR-KRWDZBQOSA-N 1 2 369.465 2.577 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C(C)C)n1 ZINC001225239525 1034177131 /nfs/dbraw/zinc/17/71/31/1034177131.db2.gz SMSICMNZJIHNAD-ARFHVFGLSA-N 1 2 364.490 2.691 20 30 FFEDLO CCC[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001220615708 1034289620 /nfs/dbraw/zinc/28/96/20/1034289620.db2.gz MZDLFTXUMKJFFW-WSTZPKSXSA-N 1 2 361.461 2.575 20 30 FFEDLO CCC[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001220615708 1034289644 /nfs/dbraw/zinc/28/96/44/1034289644.db2.gz MZDLFTXUMKJFFW-WSTZPKSXSA-N 1 2 361.461 2.575 20 30 FFEDLO CCC[C@@H](CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220631389 1034304744 /nfs/dbraw/zinc/30/47/44/1034304744.db2.gz KWOSFKIJFGELLG-QRQLOZEOSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC[C@@H](CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220631389 1034304749 /nfs/dbraw/zinc/30/47/49/1034304749.db2.gz KWOSFKIJFGELLG-QRQLOZEOSA-N 1 2 362.901 2.679 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Cl)nc3)C[C@H]21 ZINC001221421596 1034735461 /nfs/dbraw/zinc/73/54/61/1034735461.db2.gz BTQIDMKQHKDZRV-DJIMGWMZSA-N 1 2 363.889 2.749 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(Cl)nc3)C[C@H]21 ZINC001221421596 1034735469 /nfs/dbraw/zinc/73/54/69/1034735469.db2.gz BTQIDMKQHKDZRV-DJIMGWMZSA-N 1 2 363.889 2.749 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3OC)C[C@H]21 ZINC001221428961 1034747313 /nfs/dbraw/zinc/74/73/13/1034747313.db2.gz AVKCETPWMXEDHR-JFIYKMOQSA-N 1 2 371.481 2.521 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3OC)C[C@H]21 ZINC001221428961 1034747328 /nfs/dbraw/zinc/74/73/28/1034747328.db2.gz AVKCETPWMXEDHR-JFIYKMOQSA-N 1 2 371.481 2.521 20 30 FFEDLO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001138857878 1034748309 /nfs/dbraw/zinc/74/83/09/1034748309.db2.gz NWGCYQIQLNBKJA-INIZCTEOSA-N 1 2 354.410 2.501 20 30 FFEDLO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001138857878 1034748323 /nfs/dbraw/zinc/74/83/23/1034748323.db2.gz NWGCYQIQLNBKJA-INIZCTEOSA-N 1 2 354.410 2.501 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+](Cc3ncc(-c4ccccc4)o3)C[C@H]21 ZINC001221436353 1034758601 /nfs/dbraw/zinc/75/86/01/1034758601.db2.gz VKXPZNWYYOPAES-QZTJIDSGSA-N 1 2 367.449 2.577 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3ncc(-c4ccccc4)o3)C[C@H]21 ZINC001221436353 1034758612 /nfs/dbraw/zinc/75/86/12/1034758612.db2.gz VKXPZNWYYOPAES-QZTJIDSGSA-N 1 2 367.449 2.577 20 30 FFEDLO CCOC(=O)C[C@@H](CC#N)Oc1n[nH]c2c1CC[N@H+](Cc1ccccc1)C2 ZINC001226705109 1034798373 /nfs/dbraw/zinc/79/83/73/1034798373.db2.gz SOHQAUDNZZPWDN-MRXNPFEDSA-N 1 2 368.437 2.582 20 30 FFEDLO CCOC(=O)C[C@@H](CC#N)Oc1n[nH]c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001226705109 1034798385 /nfs/dbraw/zinc/79/83/85/1034798385.db2.gz SOHQAUDNZZPWDN-MRXNPFEDSA-N 1 2 368.437 2.582 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3cc(C)ccc3C)C[C@H]21 ZINC001221512452 1034829918 /nfs/dbraw/zinc/82/99/18/1034829918.db2.gz AMGUOOFUWYGHQS-UYAOXDASSA-N 1 2 367.493 2.578 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3cc(C)ccc3C)C[C@H]21 ZINC001221512452 1034829925 /nfs/dbraw/zinc/82/99/25/1034829925.db2.gz AMGUOOFUWYGHQS-UYAOXDASSA-N 1 2 367.493 2.578 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3)C[C@H]21 ZINC001221518160 1034837778 /nfs/dbraw/zinc/83/77/78/1034837778.db2.gz VPOASVAUCNIMMF-LSBZLQRGSA-N 1 2 366.864 2.839 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(Cl)c3)C[C@H]21 ZINC001221518160 1034837788 /nfs/dbraw/zinc/83/77/88/1034837788.db2.gz VPOASVAUCNIMMF-LSBZLQRGSA-N 1 2 366.864 2.839 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC001221539031 1034857926 /nfs/dbraw/zinc/85/79/26/1034857926.db2.gz JUZLJWTZJGQILP-DDUZABMNSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC001221539031 1034857933 /nfs/dbraw/zinc/85/79/33/1034857933.db2.gz JUZLJWTZJGQILP-DDUZABMNSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)ccc3Cl)C[C@H]21 ZINC001221544925 1034863418 /nfs/dbraw/zinc/86/34/18/1034863418.db2.gz NNHMTXOHXCBWGC-RDTXWAMCSA-N 1 2 364.848 2.552 20 30 FFEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)ccc3Cl)C[C@H]21 ZINC001221544925 1034863425 /nfs/dbraw/zinc/86/34/25/1034863425.db2.gz NNHMTXOHXCBWGC-RDTXWAMCSA-N 1 2 364.848 2.552 20 30 FFEDLO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1n[nH]cc1Br)CC2 ZINC001139022241 1034889456 /nfs/dbraw/zinc/88/94/56/1034889456.db2.gz JLFRXXNCWGVJPJ-MRXNPFEDSA-N 1 2 367.291 2.705 20 30 FFEDLO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1n[nH]cc1Br)CC2 ZINC001139022241 1034889460 /nfs/dbraw/zinc/88/94/60/1034889460.db2.gz JLFRXXNCWGVJPJ-MRXNPFEDSA-N 1 2 367.291 2.705 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3oc4c(cccc4F)c3C)[C@@H]2C1 ZINC001221618465 1034923117 /nfs/dbraw/zinc/92/31/17/1034923117.db2.gz LUNQDUNKEUEHKQ-CRAIPNDOSA-N 1 2 370.424 2.676 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3oc4c(cccc4F)c3C)[C@@H]2C1 ZINC001221618465 1034923123 /nfs/dbraw/zinc/92/31/23/1034923123.db2.gz LUNQDUNKEUEHKQ-CRAIPNDOSA-N 1 2 370.424 2.676 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C4(CCF)CC4)[C@@H]3C2)c(F)c1 ZINC001221707854 1034999907 /nfs/dbraw/zinc/99/99/07/1034999907.db2.gz XNEXBIBYNMSYPU-SJLPKXTDSA-N 1 2 359.420 2.870 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C4(CCF)CC4)[C@@H]3C2)c(F)c1 ZINC001221707854 1034999913 /nfs/dbraw/zinc/99/99/13/1034999913.db2.gz XNEXBIBYNMSYPU-SJLPKXTDSA-N 1 2 359.420 2.870 20 30 FFEDLO N#Cc1c(Cl)cccc1C[N@H+]1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001139688517 1035198607 /nfs/dbraw/zinc/19/86/07/1035198607.db2.gz ODQZCBCEGOLAFL-CVAIRZPRSA-N 1 2 373.884 2.813 20 30 FFEDLO N#Cc1c(Cl)cccc1C[N@@H+]1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001139688517 1035198612 /nfs/dbraw/zinc/19/86/12/1035198612.db2.gz ODQZCBCEGOLAFL-CVAIRZPRSA-N 1 2 373.884 2.813 20 30 FFEDLO N#Cc1cccc2c(C[NH+]3CCN(c4nccnc4Cl)CC3)c[nH]c21 ZINC001139701774 1035201772 /nfs/dbraw/zinc/20/17/72/1035201772.db2.gz POYKFSQSCUUWGB-UHFFFAOYSA-N 1 2 352.829 2.805 20 30 FFEDLO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)OC(C)(C)C)cc1C#N ZINC001139724972 1035209351 /nfs/dbraw/zinc/20/93/51/1035209351.db2.gz YAGYDXIGOMNYRM-HDICACEKSA-N 1 2 357.454 2.687 20 30 FFEDLO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)OC(C)(C)C)cc1C#N ZINC001139724972 1035209356 /nfs/dbraw/zinc/20/93/56/1035209356.db2.gz YAGYDXIGOMNYRM-HDICACEKSA-N 1 2 357.454 2.687 20 30 FFEDLO N#CCN(Cc1ccccc1)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763946 1035224580 /nfs/dbraw/zinc/22/45/80/1035224580.db2.gz WIYNDJVOMYYRCQ-UHFFFAOYSA-N 1 2 365.477 2.923 20 30 FFEDLO C=CCn1cc(C[N@@H+]2Cc3ncn(CC4CC4)c3[C@@H](COCC)C2)cn1 ZINC001139767938 1035225319 /nfs/dbraw/zinc/22/53/19/1035225319.db2.gz FHSRIBYPQLIPGZ-GOSISDBHSA-N 1 2 355.486 2.812 20 30 FFEDLO C=CCn1cc(C[N@H+]2Cc3ncn(CC4CC4)c3[C@@H](COCC)C2)cn1 ZINC001139767938 1035225323 /nfs/dbraw/zinc/22/53/23/1035225323.db2.gz FHSRIBYPQLIPGZ-GOSISDBHSA-N 1 2 355.486 2.812 20 30 FFEDLO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@H+](Cc3c[nH]c4ccc(C#N)cc34)[C@@H]2C1 ZINC001140113837 1035346158 /nfs/dbraw/zinc/34/61/58/1035346158.db2.gz FHSHPZSCAGHRPP-CWFSZBLJSA-N 1 2 366.465 2.544 20 30 FFEDLO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@@H+](Cc3c[nH]c4ccc(C#N)cc34)[C@@H]2C1 ZINC001140113837 1035346165 /nfs/dbraw/zinc/34/61/65/1035346165.db2.gz FHSHPZSCAGHRPP-CWFSZBLJSA-N 1 2 366.465 2.544 20 30 FFEDLO N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2ccncc2C(F)(F)F)C1=O ZINC001277204616 1035527882 /nfs/dbraw/zinc/52/78/82/1035527882.db2.gz QSXNOOIQVOKQRF-QGZVFWFLSA-N 1 2 366.387 2.971 20 30 FFEDLO N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2ccncc2C(F)(F)F)C1=O ZINC001277204616 1035527887 /nfs/dbraw/zinc/52/78/87/1035527887.db2.gz QSXNOOIQVOKQRF-QGZVFWFLSA-N 1 2 366.387 2.971 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001277232726 1035681214 /nfs/dbraw/zinc/68/12/14/1035681214.db2.gz YITUSJQILDPKIE-IBGZPJMESA-N 1 2 364.873 2.673 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001277232726 1035681223 /nfs/dbraw/zinc/68/12/23/1035681223.db2.gz YITUSJQILDPKIE-IBGZPJMESA-N 1 2 364.873 2.673 20 30 FFEDLO C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3cccc(Cl)c3O)C2)C1=O ZINC001277232519 1035682259 /nfs/dbraw/zinc/68/22/59/1035682259.db2.gz SKKICFHWOJNZMG-IBGZPJMESA-N 1 2 362.857 2.963 20 30 FFEDLO C=C(C)CN1C(=O)C[C@]2(CCC[N@@H+](Cc3cccc(Cl)c3O)C2)C1=O ZINC001277232519 1035682269 /nfs/dbraw/zinc/68/22/69/1035682269.db2.gz SKKICFHWOJNZMG-IBGZPJMESA-N 1 2 362.857 2.963 20 30 FFEDLO CCOC(=O)Cc1ccc2c(c1)C[N@@H+](Cc1cc(C#N)ccc1O)CC2 ZINC001232674340 1035932727 /nfs/dbraw/zinc/93/27/27/1035932727.db2.gz XDLZTNYHOHDFEL-UHFFFAOYSA-N 1 2 350.418 2.928 20 30 FFEDLO CCOC(=O)Cc1ccc2c(c1)C[N@H+](Cc1cc(C#N)ccc1O)CC2 ZINC001232674340 1035932743 /nfs/dbraw/zinc/93/27/43/1035932743.db2.gz XDLZTNYHOHDFEL-UHFFFAOYSA-N 1 2 350.418 2.928 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CCN(CC(F)(F)F)C3=O)CC2)c1 ZINC001232680261 1035939443 /nfs/dbraw/zinc/93/94/43/1035939443.db2.gz AXTLMHNPMKBTFE-UHFFFAOYSA-N 1 2 367.371 2.641 20 30 FFEDLO CCCCCCCC[C@@H](O)C[NH+]1CC2(C1)CN(CCCC)C(=O)CO2 ZINC001277733940 1036152220 /nfs/dbraw/zinc/15/22/20/1036152220.db2.gz HLFBRJGBZDDZRY-GOSISDBHSA-N 1 2 354.535 2.811 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cncc(Br)c2C)C1=O ZINC001277769258 1036403728 /nfs/dbraw/zinc/40/37/28/1036403728.db2.gz VEIYGUGFSGWKDD-QGZVFWFLSA-N 1 2 364.287 2.905 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cncc(Br)c2C)C1=O ZINC001277769258 1036403739 /nfs/dbraw/zinc/40/37/39/1036403739.db2.gz VEIYGUGFSGWKDD-QGZVFWFLSA-N 1 2 364.287 2.905 20 30 FFEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccc(O)c(OCC3CC3)c2)CC1 ZINC001233227783 1036448139 /nfs/dbraw/zinc/44/81/39/1036448139.db2.gz CHSUAGPRXPXURC-UHFFFAOYSA-N 1 2 358.438 2.850 20 30 FFEDLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C1 ZINC001206939849 1036954089 /nfs/dbraw/zinc/95/40/89/1036954089.db2.gz XEJLUZNOCJOMRN-FUHIMQAGSA-N 1 2 369.509 2.672 20 30 FFEDLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C1 ZINC001206939849 1036954104 /nfs/dbraw/zinc/95/41/04/1036954104.db2.gz XEJLUZNOCJOMRN-FUHIMQAGSA-N 1 2 369.509 2.672 20 30 FFEDLO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206953010 1036976881 /nfs/dbraw/zinc/97/68/81/1036976881.db2.gz NSZKIEVZBVHKFJ-IIDMSEBBSA-N 1 2 364.449 2.648 20 30 FFEDLO C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206953010 1036976900 /nfs/dbraw/zinc/97/69/00/1036976900.db2.gz NSZKIEVZBVHKFJ-IIDMSEBBSA-N 1 2 364.449 2.648 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2Cl)C[C@H]1C ZINC001206963402 1036993372 /nfs/dbraw/zinc/99/33/72/1036993372.db2.gz CUJNYXFMUARVMM-DVOMOZLQSA-N 1 2 369.292 2.968 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2Cl)C[C@H]1C ZINC001206963402 1036993388 /nfs/dbraw/zinc/99/33/88/1036993388.db2.gz CUJNYXFMUARVMM-DVOMOZLQSA-N 1 2 369.292 2.968 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1CC)c1ccc(F)c(F)c1 ZINC001234566578 1037090700 /nfs/dbraw/zinc/09/07/00/1037090700.db2.gz NWYPKSQMWJGDRK-MAUKXSAKSA-N 1 2 367.440 2.992 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC)c1ccc(F)c(F)c1 ZINC001234566578 1037090721 /nfs/dbraw/zinc/09/07/21/1037090721.db2.gz NWYPKSQMWJGDRK-MAUKXSAKSA-N 1 2 367.440 2.992 20 30 FFEDLO COC(C)(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cccc(C#N)c2F)C1=O ZINC001276510242 1037171008 /nfs/dbraw/zinc/17/10/08/1037171008.db2.gz LWOCYTHDJCSGAR-HXUWFJFHSA-N 1 2 359.445 2.689 20 30 FFEDLO COC(C)(C)CN1CC[C@]2(CCC[N@H+]2Cc2cccc(C#N)c2F)C1=O ZINC001276510242 1037171009 /nfs/dbraw/zinc/17/10/09/1037171009.db2.gz LWOCYTHDJCSGAR-HXUWFJFHSA-N 1 2 359.445 2.689 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCCN2c1nc(NCC2CC2)c(C)c[nH+]1 ZINC001277920718 1037343051 /nfs/dbraw/zinc/34/30/51/1037343051.db2.gz BDNPSIYCJQOQTH-FQEVSTJZSA-N 1 2 355.486 2.754 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Cl)c(OC)nc1OC ZINC001276525500 1037356377 /nfs/dbraw/zinc/35/63/77/1037356377.db2.gz DVWPJTGBDZAFHK-HUUCEWRRSA-N 1 2 365.861 2.504 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)c(OC)nc1OC ZINC001276525500 1037356395 /nfs/dbraw/zinc/35/63/95/1037356395.db2.gz DVWPJTGBDZAFHK-HUUCEWRRSA-N 1 2 365.861 2.504 20 30 FFEDLO N#Cc1cnn2ccc(O[C@H]3CCC[N@@H+](Cc4cnc(Cl)s4)C3)nc12 ZINC001230960074 1037421526 /nfs/dbraw/zinc/42/15/26/1037421526.db2.gz DVZKQFJBPYKGCO-LBPRGKRZSA-N 1 2 374.857 2.754 20 30 FFEDLO N#Cc1cnn2ccc(O[C@H]3CCC[N@H+](Cc4cnc(Cl)s4)C3)nc12 ZINC001230960074 1037421533 /nfs/dbraw/zinc/42/15/33/1037421533.db2.gz DVZKQFJBPYKGCO-LBPRGKRZSA-N 1 2 374.857 2.754 20 30 FFEDLO COCCCOc1cc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)ccc1OC ZINC001231608368 1037729474 /nfs/dbraw/zinc/72/94/74/1037729474.db2.gz ZPHGIVBCIYFIGN-SFHVURJKSA-N 1 2 363.479 2.885 20 30 FFEDLO COCCCOc1cc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)ccc1OC ZINC001231608368 1037729492 /nfs/dbraw/zinc/72/94/92/1037729492.db2.gz ZPHGIVBCIYFIGN-SFHVURJKSA-N 1 2 363.479 2.885 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1cc(O)cc3ccccc31)C2 ZINC001277981043 1038009639 /nfs/dbraw/zinc/00/96/39/1038009639.db2.gz GKAWFPSDLLVRFW-UHFFFAOYSA-N 1 2 352.434 2.535 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccc3ccnc(Cl)c3c2)CC1 ZINC001231980952 1038076450 /nfs/dbraw/zinc/07/64/50/1038076450.db2.gz GLSIOBHJTVBZTA-UHFFFAOYSA-N 1 2 364.840 2.872 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001208150972 1038094748 /nfs/dbraw/zinc/09/47/48/1038094748.db2.gz VYAFJHOOKIITLK-ZTQAJYAQSA-N 1 2 361.486 2.717 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001208150972 1038094767 /nfs/dbraw/zinc/09/47/67/1038094767.db2.gz VYAFJHOOKIITLK-ZTQAJYAQSA-N 1 2 361.486 2.717 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cc(C)ccc2C)C[C@H]1C ZINC001208318244 1038210026 /nfs/dbraw/zinc/21/00/26/1038210026.db2.gz PUOJVYJBZRLLEA-SJLPKXTDSA-N 1 2 357.498 2.891 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cc(C)ccc2C)C[C@H]1C ZINC001208318244 1038210043 /nfs/dbraw/zinc/21/00/43/1038210043.db2.gz PUOJVYJBZRLLEA-SJLPKXTDSA-N 1 2 357.498 2.891 20 30 FFEDLO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C)cc1C#N ZINC001278006954 1038247465 /nfs/dbraw/zinc/24/74/65/1038247465.db2.gz VKIRAVGGFIJZAG-HRAATJIYSA-N 1 2 353.466 2.801 20 30 FFEDLO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C)cc1C#N ZINC001278006954 1038247467 /nfs/dbraw/zinc/24/74/67/1038247467.db2.gz VKIRAVGGFIJZAG-HRAATJIYSA-N 1 2 353.466 2.801 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C(F)F)CCC2)C1 ZINC001208406538 1038288809 /nfs/dbraw/zinc/28/88/09/1038288809.db2.gz AFMUVVUESRUYRC-MWLCHTKSSA-N 1 2 351.235 2.767 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C(F)F)CCC2)C1 ZINC001208406538 1038288830 /nfs/dbraw/zinc/28/88/30/1038288830.db2.gz AFMUVVUESRUYRC-MWLCHTKSSA-N 1 2 351.235 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)cc1Br ZINC001236857004 1038311717 /nfs/dbraw/zinc/31/17/17/1038311717.db2.gz RDVDHMQKFNHMFM-NEPJUHHUSA-N 1 2 363.177 2.923 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)cc1Br ZINC001236857004 1038311731 /nfs/dbraw/zinc/31/17/31/1038311731.db2.gz RDVDHMQKFNHMFM-NEPJUHHUSA-N 1 2 363.177 2.923 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(F)c(F)c2)C[C@H]1C ZINC001208452466 1038326694 /nfs/dbraw/zinc/32/66/94/1038326694.db2.gz MKACKBJNIICCPD-CXAGYDPISA-N 1 2 365.424 2.696 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)c(F)c2)C[C@H]1C ZINC001208452466 1038326706 /nfs/dbraw/zinc/32/67/06/1038326706.db2.gz MKACKBJNIICCPD-CXAGYDPISA-N 1 2 365.424 2.696 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001208458493 1038328463 /nfs/dbraw/zinc/32/84/63/1038328463.db2.gz LLVGNIMZWZQABA-IIDMSEBBSA-N 1 2 361.461 2.946 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001208458493 1038328477 /nfs/dbraw/zinc/32/84/77/1038328477.db2.gz LLVGNIMZWZQABA-IIDMSEBBSA-N 1 2 361.461 2.946 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001208508749 1038372361 /nfs/dbraw/zinc/37/23/61/1038372361.db2.gz GXIIQQFPEMQQTP-BLIXFSHQSA-N 1 2 357.498 2.972 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001208508749 1038372367 /nfs/dbraw/zinc/37/23/67/1038372367.db2.gz GXIIQQFPEMQQTP-BLIXFSHQSA-N 1 2 357.498 2.972 20 30 FFEDLO CC1=CCC=C[C@@H]1C(=O)N1CCO[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001278925499 1038463533 /nfs/dbraw/zinc/46/35/33/1038463533.db2.gz BWGVPIYUOHEHTK-FHWLQOOXSA-N 1 2 369.490 2.554 20 30 FFEDLO CC1=CCC=C[C@@H]1C(=O)N1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001278925499 1038463537 /nfs/dbraw/zinc/46/35/37/1038463537.db2.gz BWGVPIYUOHEHTK-FHWLQOOXSA-N 1 2 369.490 2.554 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C(F)(F)F)CC2)C1 ZINC001208851112 1038556005 /nfs/dbraw/zinc/55/60/05/1038556005.db2.gz VMUDFXGHKQJCSD-PSASIEDQSA-N 1 2 355.198 2.674 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C(F)(F)F)CC2)C1 ZINC001208851112 1038556002 /nfs/dbraw/zinc/55/60/02/1038556002.db2.gz VMUDFXGHKQJCSD-PSASIEDQSA-N 1 2 355.198 2.674 20 30 FFEDLO C=CCN(CC[NH+]1CCN(c2ccc(F)cc2F)CC1)C(=O)OCC ZINC001209022758 1038637051 /nfs/dbraw/zinc/63/70/51/1038637051.db2.gz SZIJCQBLQRKCRZ-UHFFFAOYSA-N 1 2 353.413 2.731 20 30 FFEDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC1CCC(c2ccc(C#N)cc2)CC1 ZINC001257013193 1038679180 /nfs/dbraw/zinc/67/91/80/1038679180.db2.gz CXJRVLUOPXCNOX-AFMYVXGZSA-N 1 2 366.465 2.692 20 30 FFEDLO COC(=O)[C@@H](Cc1cncn1C)[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257013193 1038679184 /nfs/dbraw/zinc/67/91/84/1038679184.db2.gz CXJRVLUOPXCNOX-AFMYVXGZSA-N 1 2 366.465 2.692 20 30 FFEDLO C#CC[NH+]1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1 ZINC001209318230 1038756918 /nfs/dbraw/zinc/75/69/18/1038756918.db2.gz LHPXQOMFMGMLBG-FQEVSTJZSA-N 1 2 369.509 2.599 20 30 FFEDLO C=C(C)Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](COCCOC)C[C@H]32)cc1 ZINC001278609949 1038772370 /nfs/dbraw/zinc/77/23/70/1038772370.db2.gz SBDWMPOBTYGFDP-VQTJNVASSA-N 1 2 358.482 2.572 20 30 FFEDLO C=C(C)Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](COCCOC)C[C@H]32)cc1 ZINC001278609949 1038772377 /nfs/dbraw/zinc/77/23/77/1038772377.db2.gz SBDWMPOBTYGFDP-VQTJNVASSA-N 1 2 358.482 2.572 20 30 FFEDLO N#Cc1ccc(Cl)c(CN2CC3(C2)C[NH+](Cc2cccc(=O)[nH]2)C3)c1 ZINC001278611765 1038787845 /nfs/dbraw/zinc/78/78/45/1038787845.db2.gz MLFQROJTCYSAHD-UHFFFAOYSA-N 1 2 354.841 2.630 20 30 FFEDLO C=CCOC(=O)C[C@H]([NH2+]C1CCC(OC(C)C)CC1)C(=O)OCC=C ZINC001257875226 1039034174 /nfs/dbraw/zinc/03/41/74/1039034174.db2.gz SXYYZPCZWMMCGI-JCYILVPMSA-N 1 2 353.459 2.529 20 30 FFEDLO N#CC1(NS(=O)(=O)c2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC001251686292 1039250385 /nfs/dbraw/zinc/25/03/85/1039250385.db2.gz QOTWPBWDGKXWBN-UHFFFAOYSA-N 1 2 373.453 2.662 20 30 FFEDLO COc1cc(C)c(CN2CC[NH2+]C[C@H]2C#N)cc1OCc1ccccc1 ZINC001210123122 1039392893 /nfs/dbraw/zinc/39/28/93/1039392893.db2.gz YWZCVHCIAOQDOZ-LJQANCHMSA-N 1 2 351.450 2.880 20 30 FFEDLO C=CC[C@@](C)([NH2+][C@@H](C)Cc1cc(OC)c(OC)c(OC)c1)C(=O)OC ZINC001258865669 1039546841 /nfs/dbraw/zinc/54/68/41/1039546841.db2.gz SYIXAZZFMLFKLE-ORAYPTAESA-N 1 2 351.443 2.741 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(CCOC)CCC2)C1 ZINC001210612332 1039634481 /nfs/dbraw/zinc/63/44/81/1039634481.db2.gz XHBQABDQHMOXGE-TZMCWYRMSA-N 1 2 359.308 2.538 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CCOC)CCC2)C1 ZINC001210612332 1039634492 /nfs/dbraw/zinc/63/44/92/1039634492.db2.gz XHBQABDQHMOXGE-TZMCWYRMSA-N 1 2 359.308 2.538 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC001210736505 1039699498 /nfs/dbraw/zinc/69/94/98/1039699498.db2.gz YRUUSRXNJLZBJG-XNRPHZJLSA-N 1 2 367.287 2.799 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC001210736505 1039699505 /nfs/dbraw/zinc/69/95/05/1039699505.db2.gz YRUUSRXNJLZBJG-XNRPHZJLSA-N 1 2 367.287 2.799 20 30 FFEDLO COc1cc(C[N@@H+]2CCC[C@@]23CCN(CC(F)(F)F)C3=O)ccc1C#N ZINC001276691355 1039807517 /nfs/dbraw/zinc/80/75/17/1039807517.db2.gz PXZHHXGSCZKHEZ-KRWDZBQOSA-N 1 2 367.371 2.696 20 30 FFEDLO COc1cc(C[N@H+]2CCC[C@@]23CCN(CC(F)(F)F)C3=O)ccc1C#N ZINC001276691355 1039807543 /nfs/dbraw/zinc/80/75/43/1039807543.db2.gz PXZHHXGSCZKHEZ-KRWDZBQOSA-N 1 2 367.371 2.696 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3)o2)C[C@H]1C ZINC001211427900 1040185873 /nfs/dbraw/zinc/18/58/73/1040185873.db2.gz RNKHKWSLYIARFN-JFIYKMOQSA-N 1 2 369.465 2.869 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3)o2)C[C@H]1C ZINC001211427900 1040185878 /nfs/dbraw/zinc/18/58/78/1040185878.db2.gz RNKHKWSLYIARFN-JFIYKMOQSA-N 1 2 369.465 2.869 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](C[C@@H](O)CCCCC)Cc2nnn(CC3CC3)c21 ZINC001253529384 1040221685 /nfs/dbraw/zinc/22/16/85/1040221685.db2.gz RFWDJVGDDIGUAU-ROUUACIJSA-N 1 2 362.518 2.731 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](C[C@@H](O)CCCCC)Cc2nnn(CC3CC3)c21 ZINC001253529384 1040221697 /nfs/dbraw/zinc/22/16/97/1040221697.db2.gz RFWDJVGDDIGUAU-ROUUACIJSA-N 1 2 362.518 2.731 20 30 FFEDLO COc1cc(I)cc(C[NH+]2CCC(C#N)CC2)c1O ZINC001248385977 1040251647 /nfs/dbraw/zinc/25/16/47/1040251647.db2.gz FPOALSIWZLASEF-UHFFFAOYSA-N 1 2 372.206 2.741 20 30 FFEDLO N#Cc1c(F)cccc1S(=O)(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC001213259830 1040383706 /nfs/dbraw/zinc/38/37/06/1040383706.db2.gz WWRLSUBXXJEIAK-UHFFFAOYSA-N 1 2 370.409 2.539 20 30 FFEDLO CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001213358916 1040474331 /nfs/dbraw/zinc/47/43/31/1040474331.db2.gz ZAJPJCGKQAZALA-QZTJIDSGSA-N 1 2 362.901 2.943 20 30 FFEDLO CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001213358916 1040474342 /nfs/dbraw/zinc/47/43/42/1040474342.db2.gz ZAJPJCGKQAZALA-QZTJIDSGSA-N 1 2 362.901 2.943 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2oc(CCC)nc2C)C[C@H]1OC ZINC001213390275 1040506179 /nfs/dbraw/zinc/50/61/79/1040506179.db2.gz WDKCVQAWEQRERD-WRWLIDTKSA-N 1 2 363.502 2.853 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2oc(CCC)nc2C)C[C@H]1OC ZINC001213390275 1040506191 /nfs/dbraw/zinc/50/61/91/1040506191.db2.gz WDKCVQAWEQRERD-WRWLIDTKSA-N 1 2 363.502 2.853 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213390184 1040506437 /nfs/dbraw/zinc/50/64/37/1040506437.db2.gz STKVVJAAPXTKSZ-GGPKGHCWSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213390184 1040506453 /nfs/dbraw/zinc/50/64/53/1040506453.db2.gz STKVVJAAPXTKSZ-GGPKGHCWSA-N 1 2 359.445 2.615 20 30 FFEDLO CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2OC)CC1 ZINC001213410162 1040524433 /nfs/dbraw/zinc/52/44/33/1040524433.db2.gz ZTIWDLFIRCAGLT-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2OC)CC1 ZINC001213410162 1040524443 /nfs/dbraw/zinc/52/44/43/1040524443.db2.gz ZTIWDLFIRCAGLT-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cnn4ccc(C#N)cc34)[C@@H]2C1 ZINC001249087266 1040576187 /nfs/dbraw/zinc/57/61/87/1040576187.db2.gz ZLZDGWLXEVRMSS-CRAIPNDOSA-N 1 2 367.453 2.647 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cnn4ccc(C#N)cc34)[C@@H]2C1 ZINC001249087266 1040576199 /nfs/dbraw/zinc/57/61/99/1040576199.db2.gz ZLZDGWLXEVRMSS-CRAIPNDOSA-N 1 2 367.453 2.647 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)CCC(C)(C)C ZINC001213603888 1040711584 /nfs/dbraw/zinc/71/15/84/1040711584.db2.gz UNNWPWWBXFQEHA-RTBURBONSA-N 1 2 360.473 2.819 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)CCC(C)(C)C ZINC001213603888 1040711599 /nfs/dbraw/zinc/71/15/99/1040711599.db2.gz UNNWPWWBXFQEHA-RTBURBONSA-N 1 2 360.473 2.819 20 30 FFEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)C(=O)OCC ZINC001254896179 1041034600 /nfs/dbraw/zinc/03/46/00/1041034600.db2.gz QNGHGEQZJKWCMY-YFSSQWDJSA-N 1 2 364.486 2.729 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1OC)c1ccccc1 ZINC001213895751 1041039569 /nfs/dbraw/zinc/03/95/69/1041039569.db2.gz KLRKYQFHSSJPRY-XUVXKRRUSA-N 1 2 369.465 2.658 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1OC)c1ccccc1 ZINC001213895751 1041039580 /nfs/dbraw/zinc/03/95/80/1041039580.db2.gz KLRKYQFHSSJPRY-XUVXKRRUSA-N 1 2 369.465 2.658 20 30 FFEDLO CC[C@@H](CC#N)[NH+]1CCC2(CN(C(=O)CN(C)C)c3ccc(C)cc32)CC1 ZINC001255169308 1041180879 /nfs/dbraw/zinc/18/08/79/1041180879.db2.gz DFCSKELNPSJLOV-SFHVURJKSA-N 1 2 368.525 2.929 20 30 FFEDLO CCOC(=O)c1cc(C[NH+]2CCC(C#Cc3ccccc3)CC2)nn1C ZINC001250551278 1041245681 /nfs/dbraw/zinc/24/56/81/1041245681.db2.gz AMSZTCYJAVWTHD-UHFFFAOYSA-N 1 2 351.450 2.861 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C(F)(F)F)s2)C1 ZINC001214743954 1041559650 /nfs/dbraw/zinc/55/96/50/1041559650.db2.gz VXHAXUXIYXPCNR-GHMZBOCLSA-N 1 2 362.421 2.850 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC001215379137 1041763443 /nfs/dbraw/zinc/76/34/43/1041763443.db2.gz JJSSNTWOIMFZST-IIAWOOMASA-N 1 2 358.442 2.868 20 30 FFEDLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccccc2C#Cc2ccccc2)CCO1 ZINC001215643950 1041849245 /nfs/dbraw/zinc/84/92/45/1041849245.db2.gz LRNQMHPAALRWGX-SFHVURJKSA-N 1 2 363.461 2.929 20 30 FFEDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccccc2C#Cc2ccccc2)CCO1 ZINC001215643950 1041849249 /nfs/dbraw/zinc/84/92/49/1041849249.db2.gz LRNQMHPAALRWGX-SFHVURJKSA-N 1 2 363.461 2.929 20 30 FFEDLO CC1(C#N)CCC2(CC1)N=C(c1cccc(C[NH+]3CCOCC3)c1)NO2 ZINC001262829015 1041881715 /nfs/dbraw/zinc/88/17/15/1041881715.db2.gz DKFAHAMZMQDAQB-UHFFFAOYSA-N 1 2 354.454 2.600 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1CSC ZINC001262941759 1041978163 /nfs/dbraw/zinc/97/81/63/1041978163.db2.gz SYSRKWKZCFSWCC-JKSUJKDBSA-N 1 2 365.547 2.578 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1CSC ZINC001262941759 1041978166 /nfs/dbraw/zinc/97/81/66/1041978166.db2.gz SYSRKWKZCFSWCC-JKSUJKDBSA-N 1 2 365.547 2.578 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001262941297 1041978276 /nfs/dbraw/zinc/97/82/76/1041978276.db2.gz HYNCQYNHRVPXMT-PMPSAXMXSA-N 1 2 365.547 2.576 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001262941297 1041978280 /nfs/dbraw/zinc/97/82/80/1041978280.db2.gz HYNCQYNHRVPXMT-PMPSAXMXSA-N 1 2 365.547 2.576 20 30 FFEDLO C=CCn1c(N(Cc2ccccc2)C2CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001262987747 1042011525 /nfs/dbraw/zinc/01/15/25/1042011525.db2.gz FWLJVBNEFOIVGR-WIYYLYMNSA-N 1 2 367.497 2.545 20 30 FFEDLO C=CCn1c(N(Cc2ccccc2)C2CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001262987747 1042011529 /nfs/dbraw/zinc/01/15/29/1042011529.db2.gz FWLJVBNEFOIVGR-WIYYLYMNSA-N 1 2 367.497 2.545 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1ccc(F)c(F)c1 ZINC001262990875 1042014663 /nfs/dbraw/zinc/01/46/63/1042014663.db2.gz RLLTUOCVXYPCOU-UHFFFAOYSA-N 1 2 358.396 2.703 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H]2CSC[C@@H]2C1 ZINC001263024733 1042042944 /nfs/dbraw/zinc/04/29/44/1042042944.db2.gz HLTGJXJHWDYKFK-IRXDYDNUSA-N 1 2 374.558 2.580 20 30 FFEDLO N#CCCCN1CC[C@@]2(CC[N@@H+](Cc3c(Cl)ncnc3Cl)C2)C1=O ZINC001276743068 1042060362 /nfs/dbraw/zinc/06/03/62/1042060362.db2.gz NHMBSYKWEPRXBH-MRXNPFEDSA-N 1 2 368.268 2.512 20 30 FFEDLO N#CCCCN1CC[C@@]2(CC[N@H+](Cc3c(Cl)ncnc3Cl)C2)C1=O ZINC001276743068 1042060368 /nfs/dbraw/zinc/06/03/68/1042060368.db2.gz NHMBSYKWEPRXBH-MRXNPFEDSA-N 1 2 368.268 2.512 20 30 FFEDLO C=C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnn2)C1)c1ccccc1 ZINC001216811283 1042131462 /nfs/dbraw/zinc/13/14/62/1042131462.db2.gz DSTMXTYOYZUJNS-IIDMSEBBSA-N 1 2 356.495 2.835 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C3CCCC3)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001263285895 1042221073 /nfs/dbraw/zinc/22/10/73/1042221073.db2.gz QTXQXFVTWYYMNB-UEXGIBASSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C3CCCC3)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001263285895 1042221079 /nfs/dbraw/zinc/22/10/79/1042221079.db2.gz QTXQXFVTWYYMNB-UEXGIBASSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC2(CCCC2)OC[C@H]1C ZINC001263288017 1042222709 /nfs/dbraw/zinc/22/27/09/1042222709.db2.gz CAOPMMRSSSVYJZ-MRXNPFEDSA-N 1 2 370.501 2.716 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC2(CCCC2)OC[C@@H]1C ZINC001263288016 1042222760 /nfs/dbraw/zinc/22/27/60/1042222760.db2.gz CAOPMMRSSSVYJZ-INIZCTEOSA-N 1 2 370.501 2.716 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@H](C#N)C1 ZINC001263394700 1042278533 /nfs/dbraw/zinc/27/85/33/1042278533.db2.gz CBZCFWQMKMKNNJ-KURKYZTESA-N 1 2 372.517 2.600 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@H](C#N)C1 ZINC001263394700 1042278536 /nfs/dbraw/zinc/27/85/36/1042278536.db2.gz CBZCFWQMKMKNNJ-KURKYZTESA-N 1 2 372.517 2.600 20 30 FFEDLO C[C@]1(C#N)CCCN(c2nnc(C[NH+]3CCCCC3)n2C[C@H]2CCCO2)C1 ZINC001263462295 1042325501 /nfs/dbraw/zinc/32/55/01/1042325501.db2.gz JDOREVNUKZLVNC-YLJYHZDGSA-N 1 2 372.517 2.573 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2cn[nH]c2)C1 ZINC001263886051 1042509377 /nfs/dbraw/zinc/50/93/77/1042509377.db2.gz WOIZOLISXYUUIU-ZWKOTPCHSA-N 1 2 358.873 2.679 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2cn[nH]c2)C1 ZINC001263886051 1042509381 /nfs/dbraw/zinc/50/93/81/1042509381.db2.gz WOIZOLISXYUUIU-ZWKOTPCHSA-N 1 2 358.873 2.679 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](Cc2ncc(C(C)(C)C)o2)[C@@H]1CC ZINC001264050686 1042599123 /nfs/dbraw/zinc/59/91/23/1042599123.db2.gz XLJMEDUCJZVXGZ-MDOVXXIYSA-N 1 2 363.502 2.768 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C(C)(C)C)o2)[C@@H]1CC ZINC001264050686 1042599127 /nfs/dbraw/zinc/59/91/27/1042599127.db2.gz XLJMEDUCJZVXGZ-MDOVXXIYSA-N 1 2 363.502 2.768 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(C(F)F)CCC2)[C@H]1C ZINC001264157383 1042642785 /nfs/dbraw/zinc/64/27/85/1042642785.db2.gz DCLILMAIYNVBBP-MNOVXSKESA-N 1 2 351.235 2.909 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(C(F)F)CCC2)[C@H]1C ZINC001264157383 1042642787 /nfs/dbraw/zinc/64/27/87/1042642787.db2.gz DCLILMAIYNVBBP-MNOVXSKESA-N 1 2 351.235 2.909 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CCOC(C)C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001264601100 1042736546 /nfs/dbraw/zinc/73/65/46/1042736546.db2.gz KWGZAGKACKDWNJ-RBUKOAKNSA-N 1 2 361.461 2.982 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CCOC(C)C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001264601100 1042736550 /nfs/dbraw/zinc/73/65/50/1042736550.db2.gz KWGZAGKACKDWNJ-RBUKOAKNSA-N 1 2 361.461 2.982 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CC[N@H+](Cc2nc(-c3ccoc3)no2)[C@@H]1C ZINC001264696898 1042784022 /nfs/dbraw/zinc/78/40/22/1042784022.db2.gz GUTWAMGENZWDNE-ZBFHGGJFSA-N 1 2 356.426 2.602 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(-c3ccoc3)no2)[C@@H]1C ZINC001264696898 1042784026 /nfs/dbraw/zinc/78/40/26/1042784026.db2.gz GUTWAMGENZWDNE-ZBFHGGJFSA-N 1 2 356.426 2.602 20 30 FFEDLO COc1nscc1C[N@@H+]1CC[C@H](NC(=O)CC#Cc2ccccc2)[C@H]1C ZINC001264732460 1042813991 /nfs/dbraw/zinc/81/39/91/1042813991.db2.gz LONXXORVGWDFOS-QAPCUYQASA-N 1 2 369.490 2.673 20 30 FFEDLO COc1nscc1C[N@H+]1CC[C@H](NC(=O)CC#Cc2ccccc2)[C@H]1C ZINC001264732460 1042813998 /nfs/dbraw/zinc/81/39/98/1042813998.db2.gz LONXXORVGWDFOS-QAPCUYQASA-N 1 2 369.490 2.673 20 30 FFEDLO CCn1ccnc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1c(F)ccc(C#N)c1F ZINC001279133649 1042913092 /nfs/dbraw/zinc/91/30/92/1042913092.db2.gz RCDBPNLLYVDBNX-GASCZTMLSA-N 1 2 357.408 2.512 20 30 FFEDLO CCn1ccnc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1c(F)ccc(C#N)c1F ZINC001279133649 1042913095 /nfs/dbraw/zinc/91/30/95/1042913095.db2.gz RCDBPNLLYVDBNX-GASCZTMLSA-N 1 2 357.408 2.512 20 30 FFEDLO COc1cc(C#N)ccc1CN1CCCC2(C[NH+](Cc3ccc[nH]3)C2)C1 ZINC001279296565 1042988450 /nfs/dbraw/zinc/98/84/50/1042988450.db2.gz BANBYHSOEYIYOV-UHFFFAOYSA-N 1 2 350.466 2.993 20 30 FFEDLO Cc1ccnc(C[N@H+]2CC[C@H]3CN(Cc4cc(C#N)n(C)c4)C[C@H]32)c1Cl ZINC001279379297 1043038966 /nfs/dbraw/zinc/03/89/66/1043038966.db2.gz NHGYSGOACZJUPL-QFBILLFUSA-N 1 2 369.900 2.960 20 30 FFEDLO Cc1ccnc(C[N@@H+]2CC[C@H]3CN(Cc4cc(C#N)n(C)c4)C[C@H]32)c1Cl ZINC001279379297 1043038967 /nfs/dbraw/zinc/03/89/67/1043038967.db2.gz NHGYSGOACZJUPL-QFBILLFUSA-N 1 2 369.900 2.960 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccccc1NC(C)=O ZINC001237410110 1043146303 /nfs/dbraw/zinc/14/63/03/1043146303.db2.gz MDORBMGTQNMIEF-LJQANCHMSA-N 1 2 354.454 2.681 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccccc1NC(C)=O ZINC001237410110 1043146306 /nfs/dbraw/zinc/14/63/06/1043146306.db2.gz MDORBMGTQNMIEF-LJQANCHMSA-N 1 2 354.454 2.681 20 30 FFEDLO CCCCCCC/C=C/C[NH+]1CC2(CCN2C(=O)c2ccc(=O)[nH]n2)C1 ZINC001279480319 1043165102 /nfs/dbraw/zinc/16/51/02/1043165102.db2.gz CYQCBEVGULCGJB-CMDGGOBGSA-N 1 2 358.486 2.999 20 30 FFEDLO N#Cc1cc(C[NH+]2CCC3(CC2)OC(=O)c2ccncc23)c(F)cc1F ZINC001237530661 1043221274 /nfs/dbraw/zinc/22/12/74/1043221274.db2.gz QHMOTCKZHMIJRY-UHFFFAOYSA-N 1 2 355.344 2.893 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cn2cc(C#N)ccc2n1 ZINC001237604070 1043264037 /nfs/dbraw/zinc/26/40/37/1043264037.db2.gz ITYUJDIDFWQEME-DLBZAZTESA-N 1 2 367.453 2.790 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cn2cc(C#N)ccc2n1 ZINC001237604070 1043264048 /nfs/dbraw/zinc/26/40/48/1043264048.db2.gz ITYUJDIDFWQEME-DLBZAZTESA-N 1 2 367.453 2.790 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1cccc2nccc(C)c12 ZINC001237624910 1043279617 /nfs/dbraw/zinc/27/96/17/1043279617.db2.gz CUVQREFDPMUACK-IBGZPJMESA-N 1 2 363.465 2.974 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1cccc2nccc(C)c12 ZINC001237624910 1043279624 /nfs/dbraw/zinc/27/96/24/1043279624.db2.gz CUVQREFDPMUACK-IBGZPJMESA-N 1 2 363.465 2.974 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccc(Cl)nc2)C3)cc1C#N ZINC001279650673 1043403828 /nfs/dbraw/zinc/40/38/28/1043403828.db2.gz VDKGBCPGSXGXBY-AEFFLSMTSA-N 1 2 355.873 2.651 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccc(Cl)nc2)C3)cc1C#N ZINC001279650673 1043403833 /nfs/dbraw/zinc/40/38/33/1043403833.db2.gz VDKGBCPGSXGXBY-AEFFLSMTSA-N 1 2 355.873 2.651 20 30 FFEDLO COc1cnc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)c(Cl)c1 ZINC001238487634 1043741027 /nfs/dbraw/zinc/74/10/27/1043741027.db2.gz MPCPBWCUCMQXMV-UHFFFAOYSA-N 1 2 357.845 2.723 20 30 FFEDLO COc1cnc(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)c(Cl)c1 ZINC001238487634 1043741033 /nfs/dbraw/zinc/74/10/33/1043741033.db2.gz MPCPBWCUCMQXMV-UHFFFAOYSA-N 1 2 357.845 2.723 20 30 FFEDLO N#CCC1CN(C(=O)[C@@]23C[C@@H]2C[N@@H+](Cc2sc(Cl)nc2Cl)C3)C1 ZINC001279853387 1043776602 /nfs/dbraw/zinc/77/66/02/1043776602.db2.gz VEDGUXVDRDNKBY-MEBBXXQBSA-N 1 2 371.293 2.644 20 30 FFEDLO N#CCC1CN(C(=O)[C@@]23C[C@@H]2C[N@H+](Cc2sc(Cl)nc2Cl)C3)C1 ZINC001279853387 1043776613 /nfs/dbraw/zinc/77/66/13/1043776613.db2.gz VEDGUXVDRDNKBY-MEBBXXQBSA-N 1 2 371.293 2.644 20 30 FFEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2C[N@@H+](Cc2sc(Cl)nc2Cl)C3)CCC1 ZINC001279853050 1043777296 /nfs/dbraw/zinc/77/72/96/1043777296.db2.gz PPGMWIYBQKNMJL-RFAUZJTJSA-N 1 2 371.293 2.834 20 30 FFEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2C[N@H+](Cc2sc(Cl)nc2Cl)C3)CCC1 ZINC001279853050 1043777303 /nfs/dbraw/zinc/77/73/03/1043777303.db2.gz PPGMWIYBQKNMJL-RFAUZJTJSA-N 1 2 371.293 2.834 20 30 FFEDLO N#CC1(NC(=O)c2noc3c2C[N@H+](CCCC(F)(F)F)CC3)CCC1 ZINC001279890206 1043861551 /nfs/dbraw/zinc/86/15/51/1043861551.db2.gz HYNRGPWTPLNZED-UHFFFAOYSA-N 1 2 356.348 2.551 20 30 FFEDLO N#CC1(NC(=O)c2noc3c2C[N@@H+](CCCC(F)(F)F)CC3)CCC1 ZINC001279890206 1043861569 /nfs/dbraw/zinc/86/15/69/1043861569.db2.gz HYNRGPWTPLNZED-UHFFFAOYSA-N 1 2 356.348 2.551 20 30 FFEDLO Cn1cc(CN2CCC23C[NH+](CCc2ccc(F)c(F)c2)C3)cc1C#N ZINC001278280979 1043895884 /nfs/dbraw/zinc/89/58/84/1043895884.db2.gz BVDNNRATPWPTQE-UHFFFAOYSA-N 1 2 356.420 2.678 20 30 FFEDLO CCc1ccccc1C[NH+]1CC2(C1)CC[C@@H](C(=O)NC1(C#N)CCC1)O2 ZINC001280097733 1044201611 /nfs/dbraw/zinc/20/16/11/1044201611.db2.gz YCKGQADWGOVOQS-SFHVURJKSA-N 1 2 353.466 2.545 20 30 FFEDLO C#CCN(C)c1nnc(-c2cccn2C)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001539169112 1070577547 /nfs/dbraw/zinc/57/75/47/1070577547.db2.gz SQDREURJCSYUAQ-UHFFFAOYSA-N 1 2 371.448 2.587 20 30 FFEDLO COc1c(Cl)cccc1C[NH+]1CC2(C[C@@H]2C(=O)NC2(C#N)CCC2)C1 ZINC001280298259 1044565755 /nfs/dbraw/zinc/56/57/55/1044565755.db2.gz RGCSAZAJOHIUKW-CQSZACIVSA-N 1 2 359.857 2.733 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCC[N@H+](C)Cc1csc(Cl)n1 ZINC001280865090 1044757203 /nfs/dbraw/zinc/75/72/03/1044757203.db2.gz GMDJRSPTWYOGPI-KGLIPLIRSA-N 1 2 357.907 2.668 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCC[N@@H+](C)Cc1csc(Cl)n1 ZINC001280865090 1044757211 /nfs/dbraw/zinc/75/72/11/1044757211.db2.gz GMDJRSPTWYOGPI-KGLIPLIRSA-N 1 2 357.907 2.668 20 30 FFEDLO Cc1cc(C[N@@H+]2CCCN(c3nc(C(F)(F)F)ccc3C#N)CC2)no1 ZINC001318629918 1044778502 /nfs/dbraw/zinc/77/85/02/1044778502.db2.gz HGRCMVNLCKXYCA-UHFFFAOYSA-N 1 2 365.359 2.981 20 30 FFEDLO Cc1cc(C[N@H+]2CCCN(c3nc(C(F)(F)F)ccc3C#N)CC2)no1 ZINC001318629918 1044778521 /nfs/dbraw/zinc/77/85/21/1044778521.db2.gz HGRCMVNLCKXYCA-UHFFFAOYSA-N 1 2 365.359 2.981 20 30 FFEDLO Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](NC(=O)C#CC(C)C)[C@H]3C)o2)cc1 ZINC001316780645 1044945213 /nfs/dbraw/zinc/94/52/13/1044945213.db2.gz CMRJLHFDGOOZMH-AEFFLSMTSA-N 1 2 366.465 2.783 20 30 FFEDLO Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](NC(=O)C#CC(C)C)[C@H]3C)o2)cc1 ZINC001316780645 1044945227 /nfs/dbraw/zinc/94/52/27/1044945227.db2.gz CMRJLHFDGOOZMH-AEFFLSMTSA-N 1 2 366.465 2.783 20 30 FFEDLO C[NH+]1CCN(c2ccc(/C=C\C(=O)c3ccc(O)cc3O)cc2F)CC1 ZINC001319075364 1045014644 /nfs/dbraw/zinc/01/46/44/1045014644.db2.gz QPUMGVFOWCWMBL-CLTKARDFSA-N 1 2 356.397 2.885 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)CCC1 ZINC001281762792 1045087179 /nfs/dbraw/zinc/08/71/79/1045087179.db2.gz TYZNMKWCXNKKRM-BRWVUGGUSA-N 1 2 358.486 2.544 20 30 FFEDLO N#Cc1c2c(cnc1-c1ccc(OCC[NH+]3CCOCC3)cc1F)CCC2 ZINC001244137793 1045089435 /nfs/dbraw/zinc/08/94/35/1045089435.db2.gz XUEDMWKVSRASDA-UHFFFAOYSA-N 1 2 367.424 2.959 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)Nc1ccc(OCC#N)cc1 ZINC001319276980 1045094991 /nfs/dbraw/zinc/09/49/91/1045094991.db2.gz YYJPGWMBAXNDHA-UHFFFAOYSA-N 1 2 367.409 2.773 20 30 FFEDLO Cc1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)c1C#N ZINC001319480967 1045164672 /nfs/dbraw/zinc/16/46/72/1045164672.db2.gz JDSOPWCGYPCNEV-MJGOQNOKSA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1cccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c1C#N ZINC001319480967 1045164675 /nfs/dbraw/zinc/16/46/75/1045164675.db2.gz JDSOPWCGYPCNEV-MJGOQNOKSA-N 1 2 373.453 2.730 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CC2(C(C)C)CC2)CC1 ZINC001539446331 1070639258 /nfs/dbraw/zinc/63/92/58/1070639258.db2.gz BQWVSWRBAJOPET-GOSISDBHSA-N 1 2 371.529 2.711 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccn3C)n2CC2=CCCCC2)CC1 ZINC001539444448 1070639284 /nfs/dbraw/zinc/63/92/84/1070639284.db2.gz OKHLUDACHLITQQ-UHFFFAOYSA-N 1 2 364.497 2.539 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCCCC)CC1 ZINC001539445985 1070639367 /nfs/dbraw/zinc/63/93/67/1070639367.db2.gz MRXGJSHIKUUVLG-UHFFFAOYSA-N 1 2 352.486 2.594 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCCCS2)CC1 ZINC001539451957 1070640835 /nfs/dbraw/zinc/64/08/35/1070640835.db2.gz GXAYFSGBVMYVNR-KRWDZBQOSA-N 1 2 361.559 2.518 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC3CCCC3)n2CCCCOCC)CC1 ZINC001539453681 1070642093 /nfs/dbraw/zinc/64/20/93/1070642093.db2.gz BULOLVAQFQQBTK-UHFFFAOYSA-N 1 2 373.545 2.583 20 30 FFEDLO C=C[C@H](COC)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC001320432980 1045407530 /nfs/dbraw/zinc/40/75/30/1045407530.db2.gz JAUUZEGLFXPQLJ-CVEARBPZSA-N 1 2 367.287 2.903 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001282207431 1045420531 /nfs/dbraw/zinc/42/05/31/1045420531.db2.gz QSUHYWKWNDJMSG-XLNGHYISSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001282207431 1045420534 /nfs/dbraw/zinc/42/05/34/1045420534.db2.gz QSUHYWKWNDJMSG-XLNGHYISSA-N 1 2 370.497 2.613 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1 ZINC001320898883 1045490736 /nfs/dbraw/zinc/49/07/36/1045490736.db2.gz NPXHURFJAWFBIN-INIZCTEOSA-N 1 2 374.872 2.800 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1 ZINC001320898883 1045490739 /nfs/dbraw/zinc/49/07/39/1045490739.db2.gz NPXHURFJAWFBIN-INIZCTEOSA-N 1 2 374.872 2.800 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001282545010 1045829842 /nfs/dbraw/zinc/82/98/42/1045829842.db2.gz BPPWMAMHDKWWMH-JXXFODFXSA-N 1 2 360.502 2.545 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001282545010 1045829866 /nfs/dbraw/zinc/82/98/66/1045829866.db2.gz BPPWMAMHDKWWMH-JXXFODFXSA-N 1 2 360.502 2.545 20 30 FFEDLO N#CCc1cccc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)n1 ZINC001324085805 1045857282 /nfs/dbraw/zinc/85/72/82/1045857282.db2.gz RKQVTXCTZOYIIC-SFHVURJKSA-N 1 2 356.857 2.657 20 30 FFEDLO N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)CC2=O)cc1 ZINC001322223985 1046001843 /nfs/dbraw/zinc/00/18/43/1046001843.db2.gz XSTHVJFCJPYDFT-INIZCTEOSA-N 1 2 371.400 2.940 20 30 FFEDLO C=CCCC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C3)CC1 ZINC001282754446 1046157959 /nfs/dbraw/zinc/15/79/59/1046157959.db2.gz BIFIPNDBEDSAOW-HBPKQKSZSA-N 1 2 368.481 2.508 20 30 FFEDLO C=CCCC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C3)CC1 ZINC001282754446 1046157963 /nfs/dbraw/zinc/15/79/63/1046157963.db2.gz BIFIPNDBEDSAOW-HBPKQKSZSA-N 1 2 368.481 2.508 20 30 FFEDLO C#CC[N@H+](CC1CC1)[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC001325513216 1046535568 /nfs/dbraw/zinc/53/55/68/1046535568.db2.gz RUVVCMWGJVMCHB-GFCCVEGCSA-N 1 2 373.478 2.876 20 30 FFEDLO C#CC[N@@H+](CC1CC1)[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC001325513216 1046535580 /nfs/dbraw/zinc/53/55/80/1046535580.db2.gz RUVVCMWGJVMCHB-GFCCVEGCSA-N 1 2 373.478 2.876 20 30 FFEDLO C=CCCCC(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001285972605 1046974521 /nfs/dbraw/zinc/97/45/21/1046974521.db2.gz ZVQGYKWVYUBTBJ-PYWTVGQWSA-N 1 2 370.497 2.898 20 30 FFEDLO C=CCCCC(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001285972605 1046974528 /nfs/dbraw/zinc/97/45/28/1046974528.db2.gz ZVQGYKWVYUBTBJ-PYWTVGQWSA-N 1 2 370.497 2.898 20 30 FFEDLO C#CCN(C)c1nnc(C2CCC2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001286371717 1047091890 /nfs/dbraw/zinc/09/18/90/1047091890.db2.gz BXPYBZIAUKQZAJ-UHFFFAOYSA-N 1 2 360.465 2.908 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2Cc2ccc(CC)s2)CC1 ZINC001286479527 1047120890 /nfs/dbraw/zinc/12/08/90/1047120890.db2.gz MKIPHCJCORJKTO-UHFFFAOYSA-N 1 2 369.538 2.973 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2CC(=C)c2ccccc2)CC1 ZINC001286483451 1047122606 /nfs/dbraw/zinc/12/26/06/1047122606.db2.gz LCIDIEAUFRQEMK-UHFFFAOYSA-N 1 2 361.493 2.699 20 30 FFEDLO C=CCN(C)c1nnc(Cc2ccncc2)n1CCCNc1cccc[nH+]1 ZINC001286728024 1047164019 /nfs/dbraw/zinc/16/40/19/1047164019.db2.gz JJOFOAQQDJSZGN-UHFFFAOYSA-N 1 2 363.469 2.783 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001289354397 1047640865 /nfs/dbraw/zinc/64/08/65/1047640865.db2.gz KQQHMCAPKOMMJY-ARFHVFGLSA-N 1 2 354.454 2.513 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cccc2[nH+]ccn21 ZINC001291959060 1049019630 /nfs/dbraw/zinc/01/96/30/1049019630.db2.gz SCKQCJFPGGAHIF-PMPSAXMXSA-N 1 2 366.465 2.798 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001292180541 1049164495 /nfs/dbraw/zinc/16/44/95/1049164495.db2.gz SOIBKRGAVHFMDU-MKXGPGLRSA-N 1 2 370.497 2.666 20 30 FFEDLO C#CC[N@H+](Cc1ccncc1F)C1CCN(Cc2ccncc2F)CC1 ZINC001331157827 1049491911 /nfs/dbraw/zinc/49/19/11/1049491911.db2.gz JCSIGHUIXQCLJJ-UHFFFAOYSA-N 1 2 356.420 2.855 20 30 FFEDLO C#CC[N@@H+](Cc1ccncc1F)C1CCN(Cc2ccncc2F)CC1 ZINC001331157827 1049491914 /nfs/dbraw/zinc/49/19/14/1049491914.db2.gz JCSIGHUIXQCLJJ-UHFFFAOYSA-N 1 2 356.420 2.855 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC001339777537 1050197241 /nfs/dbraw/zinc/19/72/41/1050197241.db2.gz RBMNRFPXNLBAIC-ROUUACIJSA-N 1 2 367.501 2.686 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)CC1(C)COC1 ZINC001339795578 1050215128 /nfs/dbraw/zinc/21/51/28/1050215128.db2.gz CANMWOBAVDOHEI-MRXNPFEDSA-N 1 2 358.490 2.769 20 30 FFEDLO C=CCn1c(N(Cc2ccccc2)C(C)C)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339857739 1050275294 /nfs/dbraw/zinc/27/52/94/1050275294.db2.gz YDOFUVLZDXYWRC-RXVVDRJESA-N 1 2 369.513 2.791 20 30 FFEDLO C=CCn1c(N(Cc2ccccc2)C(C)C)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001339857739 1050275301 /nfs/dbraw/zinc/27/53/01/1050275301.db2.gz YDOFUVLZDXYWRC-RXVVDRJESA-N 1 2 369.513 2.791 20 30 FFEDLO Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCc2c(CC#N)cccc2C1 ZINC001341707834 1050327676 /nfs/dbraw/zinc/32/76/76/1050327676.db2.gz DTAPBFGMDOYUTR-GOSISDBHSA-N 1 2 350.470 2.601 20 30 FFEDLO Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCc2c(CC#N)cccc2C1 ZINC001341707834 1050327683 /nfs/dbraw/zinc/32/76/83/1050327683.db2.gz DTAPBFGMDOYUTR-GOSISDBHSA-N 1 2 350.470 2.601 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C)C(C)(C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001341839383 1050451194 /nfs/dbraw/zinc/45/11/94/1050451194.db2.gz NQSVVXYDKOBLMR-RZQQEMMASA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C)C(C)(C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001341839383 1050451202 /nfs/dbraw/zinc/45/12/02/1050451202.db2.gz NQSVVXYDKOBLMR-RZQQEMMASA-N 1 2 361.534 2.638 20 30 FFEDLO C#C[C@H]1CCCN(c2nnc(Cc3[nH+]ccn3Cc3ccccc3)n2CC)C1 ZINC001340049219 1050459516 /nfs/dbraw/zinc/45/95/16/1050459516.db2.gz SVKMUSBMIXRJKH-SFHVURJKSA-N 1 2 374.492 2.983 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)C1Cc2ccccc2C1 ZINC001341868884 1050477868 /nfs/dbraw/zinc/47/78/68/1050477868.db2.gz SUAWKYCAUWXUFT-UHFFFAOYSA-N 1 2 362.481 2.782 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001299042984 1050579199 /nfs/dbraw/zinc/57/91/99/1050579199.db2.gz GKGWQRAQOJVEPV-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001299042984 1050579207 /nfs/dbraw/zinc/57/92/07/1050579207.db2.gz GKGWQRAQOJVEPV-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCc2ccsc2C1 ZINC001340205402 1050614062 /nfs/dbraw/zinc/61/40/62/1050614062.db2.gz OCVLKMPXEQPSQL-MRXNPFEDSA-N 1 2 373.526 2.870 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCc2ccsc2C1 ZINC001340205402 1050614066 /nfs/dbraw/zinc/61/40/66/1050614066.db2.gz OCVLKMPXEQPSQL-MRXNPFEDSA-N 1 2 373.526 2.870 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CC[C@@H](C2CCCCC2)C1 ZINC001340258544 1050664304 /nfs/dbraw/zinc/66/43/04/1050664304.db2.gz MOMUZCAAXHKJQS-KURKYZTESA-N 1 2 359.518 2.608 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CC[C@@H](C2CCCCC2)C1 ZINC001340258544 1050664310 /nfs/dbraw/zinc/66/43/10/1050664310.db2.gz MOMUZCAAXHKJQS-KURKYZTESA-N 1 2 359.518 2.608 20 30 FFEDLO C=CCC1(C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CCCC1 ZINC001492103583 1050698342 /nfs/dbraw/zinc/69/83/42/1050698342.db2.gz PITITMZVDNKXPX-IAGOWNOFSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC1(C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CCCC1 ZINC001492103583 1050698351 /nfs/dbraw/zinc/69/83/51/1050698351.db2.gz PITITMZVDNKXPX-IAGOWNOFSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C ZINC001340376031 1050769983 /nfs/dbraw/zinc/76/99/83/1050769983.db2.gz RNGYCOUGUAYECK-LULLPPNCSA-N 1 2 367.497 2.584 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C ZINC001340376031 1050769999 /nfs/dbraw/zinc/76/99/99/1050769999.db2.gz RNGYCOUGUAYECK-LULLPPNCSA-N 1 2 367.497 2.584 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 ZINC001342234117 1050824310 /nfs/dbraw/zinc/82/43/10/1050824310.db2.gz RHVIFHLVVUPCHH-ROUUACIJSA-N 1 2 359.518 2.703 20 30 FFEDLO CC[C@]1(C)CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CCOC)C1 ZINC001342339426 1050933568 /nfs/dbraw/zinc/93/35/68/1050933568.db2.gz BENSZRLBQRASGA-HXUWFJFHSA-N 1 2 374.533 2.644 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H](C#N)C1 ZINC001342674351 1051283508 /nfs/dbraw/zinc/28/35/08/1051283508.db2.gz OVKBTXGXKPVBPP-KRWDZBQOSA-N 1 2 367.501 2.687 20 30 FFEDLO C=C[C@H](O)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CC(=C)C ZINC001342743869 1051360493 /nfs/dbraw/zinc/36/04/93/1051360493.db2.gz PMEPVKMOKFKOKK-SFHVURJKSA-N 1 2 371.460 2.535 20 30 FFEDLO C=CC[C@H]1N(c2nnc(C[N@@H+]3CCC[C@H](O)C3)n2CC)CCCC1(C)C ZINC001341086804 1051432955 /nfs/dbraw/zinc/43/29/55/1051432955.db2.gz OCRDXOPKCMSZAK-DLBZAZTESA-N 1 2 361.534 2.826 20 30 FFEDLO C=CC[C@H]1N(c2nnc(C[N@H+]3CCC[C@H](O)C3)n2CC)CCCC1(C)C ZINC001341086804 1051432961 /nfs/dbraw/zinc/43/29/61/1051432961.db2.gz OCRDXOPKCMSZAK-DLBZAZTESA-N 1 2 361.534 2.826 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1ccco1 ZINC001343007323 1051622945 /nfs/dbraw/zinc/62/29/45/1051622945.db2.gz NFRAMSJXHMJWMU-QGZVFWFLSA-N 1 2 359.474 2.865 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1ccco1 ZINC001343007323 1051622952 /nfs/dbraw/zinc/62/29/52/1051622952.db2.gz NFRAMSJXHMJWMU-QGZVFWFLSA-N 1 2 359.474 2.865 20 30 FFEDLO Cc1ccc2c(c1)CCN2c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001341441553 1051798159 /nfs/dbraw/zinc/79/81/59/1051798159.db2.gz XTFOEEFTELNZEN-UHFFFAOYSA-N 1 2 350.470 2.911 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2cccc(F)c2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001343287644 1052136783 /nfs/dbraw/zinc/13/67/83/1052136783.db2.gz KNFDUHMLWQUYQB-PXNSSMCTSA-N 1 2 373.476 2.541 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2cccc(F)c2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001343287644 1052136785 /nfs/dbraw/zinc/13/67/85/1052136785.db2.gz KNFDUHMLWQUYQB-PXNSSMCTSA-N 1 2 373.476 2.541 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2ccccc2C)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001343405622 1052209546 /nfs/dbraw/zinc/20/95/46/1052209546.db2.gz SSRCEMMYTMPDPI-NQIIRXRSSA-N 1 2 369.513 2.711 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2ccccc2C)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001343405622 1052209561 /nfs/dbraw/zinc/20/95/61/1052209561.db2.gz SSRCEMMYTMPDPI-NQIIRXRSSA-N 1 2 369.513 2.711 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC2(C[C@@H]1C)CCOCC2 ZINC001343417303 1052217881 /nfs/dbraw/zinc/21/78/81/1052217881.db2.gz SWRZZLKBTXGPJQ-KRWDZBQOSA-N 1 2 359.518 2.845 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001343466783 1052249564 /nfs/dbraw/zinc/24/95/64/1052249564.db2.gz AICCZEOWDXDVKS-ROUUACIJSA-N 1 2 374.533 2.846 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001343466783 1052249573 /nfs/dbraw/zinc/24/95/73/1052249573.db2.gz AICCZEOWDXDVKS-ROUUACIJSA-N 1 2 374.533 2.846 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@@H](c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2CC2)C1 ZINC001345100299 1052256519 /nfs/dbraw/zinc/25/65/19/1052256519.db2.gz UVSVBXLTWODFEZ-XLIONFOSSA-N 1 2 372.517 2.600 20 30 FFEDLO CC(C)[N@H+]1CCO[C@@H](c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2CC2)C1 ZINC001345100299 1052256526 /nfs/dbraw/zinc/25/65/26/1052256526.db2.gz UVSVBXLTWODFEZ-XLIONFOSSA-N 1 2 372.517 2.600 20 30 FFEDLO CCO[C@H]1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC(C)C)C1 ZINC001343677961 1052369901 /nfs/dbraw/zinc/36/99/01/1052369901.db2.gz UQXYBJNHOYVRHJ-SFHVURJKSA-N 1 2 374.533 2.642 20 30 FFEDLO N#Cc1cc(F)ccc1N1CC[NH+](C[C@@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC001308007513 1052382492 /nfs/dbraw/zinc/38/24/92/1052382492.db2.gz FORXPDQEKXQHJI-GOEBONIOSA-N 1 2 357.351 2.929 20 30 FFEDLO C=CCCN(OCc1ccccc1)C(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC001345397953 1052423721 /nfs/dbraw/zinc/42/37/21/1052423721.db2.gz RJMFFBJKJVLROX-UHFFFAOYSA-N 1 2 367.449 2.851 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C)CC1 ZINC001345604511 1052534359 /nfs/dbraw/zinc/53/43/59/1052534359.db2.gz IITOXBFZLGXGBW-AEFFLSMTSA-N 1 2 358.486 2.515 20 30 FFEDLO C=C(C)Cn1c(N2CC=C(C(C)(C)C)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001345961723 1052686224 /nfs/dbraw/zinc/68/62/24/1052686224.db2.gz KSLFTUZZDDUPNE-UTKZUKDTSA-N 1 2 373.545 2.948 20 30 FFEDLO C=C(C)Cn1c(N2CC=C(C(C)(C)C)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001345961723 1052686227 /nfs/dbraw/zinc/68/62/27/1052686227.db2.gz KSLFTUZZDDUPNE-UTKZUKDTSA-N 1 2 373.545 2.948 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc([C@H]3CCC[N@H+]3C)n2Cc2cc(C)on2)C1 ZINC001346621371 1053163422 /nfs/dbraw/zinc/16/34/22/1053163422.db2.gz UZHBZFKBUYNBNC-FUHWJXTLSA-N 1 2 368.485 2.629 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc([C@H]3CCC[N@@H+]3C)n2Cc2cc(C)on2)C1 ZINC001346621371 1053163427 /nfs/dbraw/zinc/16/34/27/1053163427.db2.gz UZHBZFKBUYNBNC-FUHWJXTLSA-N 1 2 368.485 2.629 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@H]1CCOC[C@H]1Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001347377883 1053911443 /nfs/dbraw/zinc/91/14/43/1053911443.db2.gz QHWRXYNPJNPHRE-YTQUADARSA-N 1 2 366.465 2.831 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c1[N+](=O)[O-] ZINC001347826044 1054355992 /nfs/dbraw/zinc/35/59/92/1054355992.db2.gz HFSKLRJTQKQVRD-UHFFFAOYSA-N 1 2 367.365 2.697 20 30 FFEDLO Cc1cc(Cn2c([C@@H]3CCC[N@H+]3C)nnc2N2CCC(CC#N)CC2)no1 ZINC001348278505 1054600376 /nfs/dbraw/zinc/60/03/76/1054600376.db2.gz ZRXSTUCNEBMNNS-KRWDZBQOSA-N 1 2 369.473 2.520 20 30 FFEDLO Cc1cc(Cn2c([C@@H]3CCC[N@@H+]3C)nnc2N2CCC(CC#N)CC2)no1 ZINC001348278505 1054600383 /nfs/dbraw/zinc/60/03/83/1054600383.db2.gz ZRXSTUCNEBMNNS-KRWDZBQOSA-N 1 2 369.473 2.520 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)cc1 ZINC001337339975 1054670768 /nfs/dbraw/zinc/67/07/68/1054670768.db2.gz FWQPQLIXCQGSGM-AZUAARDMSA-N 1 2 362.408 2.553 20 30 FFEDLO N#Cc1cc(C(=O)OCCc2cn3c([nH+]2)CCCC3)cnc1C(F)(F)F ZINC001348523591 1054762719 /nfs/dbraw/zinc/76/27/19/1054762719.db2.gz SEJXCJCZQZIBOD-UHFFFAOYSA-N 1 2 364.327 2.904 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@H](c2ccco2)C1 ZINC001351615223 1054922270 /nfs/dbraw/zinc/92/22/70/1054922270.db2.gz HEUVXVDIFGSTKT-WBVHZDCISA-N 1 2 357.458 2.792 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@H](c2ccco2)C1 ZINC001351615223 1054922278 /nfs/dbraw/zinc/92/22/78/1054922278.db2.gz HEUVXVDIFGSTKT-WBVHZDCISA-N 1 2 357.458 2.792 20 30 FFEDLO C=CC1CCN(c2nnc([C@H]3CCCC[N@H+]3C)n2C[C@H]2CCOC2)CC1 ZINC001349024638 1055057014 /nfs/dbraw/zinc/05/70/14/1055057014.db2.gz VXNPIXDXQHVSMD-QZTJIDSGSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CC1CCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2C[C@H]2CCOC2)CC1 ZINC001349024638 1055057024 /nfs/dbraw/zinc/05/70/24/1055057024.db2.gz VXNPIXDXQHVSMD-QZTJIDSGSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CCCCC(=O)N(C)CC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001356700401 1055665238 /nfs/dbraw/zinc/66/52/38/1055665238.db2.gz QRCCPFFHNQLNIR-HSALFYBXSA-N 1 2 373.541 2.548 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1cnn(C)c1C ZINC001357125685 1055785442 /nfs/dbraw/zinc/78/54/42/1055785442.db2.gz CWVRDLOXSRCVEQ-KRWDZBQOSA-N 1 2 357.506 2.689 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)Cc1cnn(C)c1C ZINC001357125685 1055785454 /nfs/dbraw/zinc/78/54/54/1055785454.db2.gz CWVRDLOXSRCVEQ-KRWDZBQOSA-N 1 2 357.506 2.689 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001357127903 1055787267 /nfs/dbraw/zinc/78/72/67/1055787267.db2.gz VZTZPOVENWYHDM-SOABOVLPSA-N 1 2 359.518 2.608 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001357127903 1055787280 /nfs/dbraw/zinc/78/72/80/1055787280.db2.gz VZTZPOVENWYHDM-SOABOVLPSA-N 1 2 359.518 2.608 20 30 FFEDLO C#C[C@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC001350543661 1055825180 /nfs/dbraw/zinc/82/51/80/1055825180.db2.gz VIZMQFIJUYDEFN-QAPCUYQASA-N 1 2 354.429 2.898 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1Cc2ccccc2C1 ZINC001338839948 1055861286 /nfs/dbraw/zinc/86/12/86/1055861286.db2.gz JEPRDJYEYOYUEV-RBUKOAKNSA-N 1 2 365.481 2.910 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1Cc2ccccc2C1 ZINC001338839948 1055861297 /nfs/dbraw/zinc/86/12/97/1055861297.db2.gz JEPRDJYEYOYUEV-RBUKOAKNSA-N 1 2 365.481 2.910 20 30 FFEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)ccc1OC ZINC000847496543 1055931162 /nfs/dbraw/zinc/93/11/62/1055931162.db2.gz QEECTVPLNBHSJK-CJNGLKHVSA-N 1 2 356.426 2.594 20 30 FFEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)ccc1OC ZINC000847496543 1055931170 /nfs/dbraw/zinc/93/11/70/1055931170.db2.gz QEECTVPLNBHSJK-CJNGLKHVSA-N 1 2 356.426 2.594 20 30 FFEDLO O=C(NCC#C[C@H]1CCCCO1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC001351187122 1056125872 /nfs/dbraw/zinc/12/58/72/1056125872.db2.gz ONWMSUIEERBNLR-QGZVFWFLSA-N 1 2 368.437 2.656 20 30 FFEDLO C=CCn1c(N2CCC(C(C)(C)C)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339195195 1056189236 /nfs/dbraw/zinc/18/92/36/1056189236.db2.gz GKEPIRNQBVBYIO-OXQOHEQNSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC(C(C)(C)C)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339195195 1056189243 /nfs/dbraw/zinc/18/92/43/1056189243.db2.gz GKEPIRNQBVBYIO-OXQOHEQNSA-N 1 2 361.534 2.638 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(COCC)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001358899115 1056590058 /nfs/dbraw/zinc/59/00/58/1056590058.db2.gz HNOTZVHJYDIAEG-MRXNPFEDSA-N 1 2 364.453 2.507 20 30 FFEDLO C=CCC(C)(C)Cn1c(CC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001359189187 1056791757 /nfs/dbraw/zinc/79/17/57/1056791757.db2.gz CWOJGJOWWNEUHM-UHFFFAOYSA-N 1 2 369.517 2.868 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001499082244 1058230422 /nfs/dbraw/zinc/23/04/22/1058230422.db2.gz QTXLRCNKVBCWMV-FDFHNCONSA-N 1 2 362.473 2.784 20 30 FFEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001499082244 1058230437 /nfs/dbraw/zinc/23/04/37/1058230437.db2.gz QTXLRCNKVBCWMV-FDFHNCONSA-N 1 2 362.473 2.784 20 30 FFEDLO C#CCN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1cccs1 ZINC001518628219 1058446474 /nfs/dbraw/zinc/44/64/74/1058446474.db2.gz BQIXMEJAQCSOPK-UHFFFAOYSA-N 1 2 368.510 2.550 20 30 FFEDLO CCc1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001513791134 1058558948 /nfs/dbraw/zinc/55/89/48/1058558948.db2.gz LPFKJVDFASICCH-CQSZACIVSA-N 1 2 367.432 2.809 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCO1 ZINC001514561581 1058982817 /nfs/dbraw/zinc/98/28/17/1058982817.db2.gz HMTYQQXIMCEBHQ-ZWKOTPCHSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCO1 ZINC001514561581 1058982835 /nfs/dbraw/zinc/98/28/35/1058982835.db2.gz HMTYQQXIMCEBHQ-ZWKOTPCHSA-N 1 2 372.517 2.744 20 30 FFEDLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCCO2)nnc1N(C)C[C@@H](C)C#N ZINC001504460174 1059185881 /nfs/dbraw/zinc/18/58/81/1059185881.db2.gz UBBBTGUEBYMTFE-YOEHRIQHSA-N 1 2 370.457 2.567 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CC2(C)CCCC2)CC1 ZINC001300697343 1059388089 /nfs/dbraw/zinc/38/80/89/1059388089.db2.gz AQCWZZSRDNPNDN-GOSISDBHSA-N 1 2 371.529 2.855 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(CCO)Cc1ccccc1 ZINC001515294795 1059511935 /nfs/dbraw/zinc/51/19/35/1059511935.db2.gz GYPMNSGXQLZODC-GOSISDBHSA-N 1 2 355.486 2.620 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(CCO)Cc1ccccc1 ZINC001515294795 1059511956 /nfs/dbraw/zinc/51/19/56/1059511956.db2.gz GYPMNSGXQLZODC-GOSISDBHSA-N 1 2 355.486 2.620 20 30 FFEDLO C=C(C)Cn1c(CC2CC2)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001515317844 1059542837 /nfs/dbraw/zinc/54/28/37/1059542837.db2.gz GPUFFQBQMGSVSL-UHFFFAOYSA-N 1 2 352.486 2.830 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)[C@@H](C)c1ccccc1C ZINC001520289040 1059573190 /nfs/dbraw/zinc/57/31/90/1059573190.db2.gz ISCSBKIDWQBWID-XYJFISCASA-N 1 2 355.486 2.707 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)[C@@H](C)c1ccccc1C ZINC001520289040 1059573209 /nfs/dbraw/zinc/57/32/09/1059573209.db2.gz ISCSBKIDWQBWID-XYJFISCASA-N 1 2 355.486 2.707 20 30 FFEDLO C=CCn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1[C@@](C)(O)CC ZINC001520423955 1059673997 /nfs/dbraw/zinc/67/39/97/1059673997.db2.gz WPBZOUHBLKJZNQ-IBGZPJMESA-N 1 2 356.474 2.558 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc(C[NH+]2CCC(CO)CC2)n1CC(=C)C ZINC001515555449 1059698408 /nfs/dbraw/zinc/69/84/08/1059698408.db2.gz POMDZXPUHSWPGX-LJQANCHMSA-N 1 2 373.545 2.994 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C)n2C[C@H](C)Sc2ccccc2)CC1 ZINC001507721043 1059699376 /nfs/dbraw/zinc/69/93/76/1059699376.db2.gz XZZWMUJUHKOLNU-INIZCTEOSA-N 1 2 355.511 2.523 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CCC[C@H]2CCCCO2)CC1 ZINC001507721314 1059699446 /nfs/dbraw/zinc/69/94/46/1059699446.db2.gz IVRYSFAHXYLWRU-GOSISDBHSA-N 1 2 373.545 2.680 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C)n2Cc2cccc(SCC)c2)CC1 ZINC001507718364 1059700278 /nfs/dbraw/zinc/70/02/78/1059700278.db2.gz CRIDTJJBVUCFGH-UHFFFAOYSA-N 1 2 355.511 2.502 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC3CCCC3)n2CC2CCCC2)CC1 ZINC001507727233 1059701446 /nfs/dbraw/zinc/70/14/46/1059701446.db2.gz HWBAWEFAHCJHRI-UHFFFAOYSA-N 1 2 355.530 2.956 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCCC(C)(C)C)CC1 ZINC001507725408 1059701942 /nfs/dbraw/zinc/70/19/42/1059701942.db2.gz VKFNFJPTZSINEB-UHFFFAOYSA-N 1 2 366.513 2.922 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@H](C)c1cccc(O)c1 ZINC001520596204 1059850728 /nfs/dbraw/zinc/85/07/28/1059850728.db2.gz LAOOSXSBGJEMIE-CQSZACIVSA-N 1 2 352.442 2.691 20 30 FFEDLO CC(C)(C)n1ncc2c1nc(N=NC1CCC[N@@H+]3CCCC[C@H]13)[nH]c2=O ZINC000848405227 1059948549 /nfs/dbraw/zinc/94/85/49/1059948549.db2.gz DFHACDOEOJKQIT-CQSZACIVSA-N 1 2 357.462 2.703 20 30 FFEDLO CC(C)(C)n1ncc2c1nc(N=NC1CCC[N@H+]3CCCC[C@H]13)[nH]c2=O ZINC000848405227 1059948574 /nfs/dbraw/zinc/94/85/74/1059948574.db2.gz DFHACDOEOJKQIT-CQSZACIVSA-N 1 2 357.462 2.703 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC(=NNCCCn3cc[nH+]c3)CC[C@@H]2C1 ZINC000848416698 1059972631 /nfs/dbraw/zinc/97/26/31/1059972631.db2.gz VDDWVQJYGHQORW-CVEARBPZSA-N 1 2 361.490 2.886 20 30 FFEDLO COc1ccc(C=NNCCCn2cc[nH+]c2)cc1OCc1cccnc1 ZINC000848417467 1059973731 /nfs/dbraw/zinc/97/37/31/1059973731.db2.gz AMPPIGPFCOHBJW-UHFFFAOYSA-N 1 2 365.437 2.880 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(C=C)CC1 ZINC001355876252 1060682713 /nfs/dbraw/zinc/68/27/13/1060682713.db2.gz LUCYDBSCGLGOTD-MSOLQXFVSA-N 1 2 357.502 2.792 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(C=C)CC1 ZINC001355876252 1060682720 /nfs/dbraw/zinc/68/27/20/1060682720.db2.gz LUCYDBSCGLGOTD-MSOLQXFVSA-N 1 2 357.502 2.792 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@@H]1c1cccc(F)c1 ZINC001355919764 1060727075 /nfs/dbraw/zinc/72/70/75/1060727075.db2.gz LGOSWTDAYMLARU-KSZLIROESA-N 1 2 371.460 2.682 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H]1c1cccc(F)c1 ZINC001355919764 1060727092 /nfs/dbraw/zinc/72/70/92/1060727092.db2.gz LGOSWTDAYMLARU-KSZLIROESA-N 1 2 371.460 2.682 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC001355941974 1060745535 /nfs/dbraw/zinc/74/55/35/1060745535.db2.gz OJDOGHZDCFFNLX-OYRHEFFESA-N 1 2 371.529 2.847 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H](c2ccn(C)n2)C1 ZINC001355941829 1060745970 /nfs/dbraw/zinc/74/59/70/1060745970.db2.gz MVSPJKGDLZNGNC-QGZVFWFLSA-N 1 2 369.517 2.568 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC(c2ccon2)CC1 ZINC001355975233 1060773613 /nfs/dbraw/zinc/77/36/13/1060773613.db2.gz DRDDKJACUCKXPU-UHFFFAOYSA-N 1 2 367.457 2.551 20 30 FFEDLO C#Cc1cccc(NC(=O)CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC001526132409 1061014147 /nfs/dbraw/zinc/01/41/47/1061014147.db2.gz GNRDONLMPKXDAM-IBGZPJMESA-N 1 2 369.852 2.679 20 30 FFEDLO C#CCCCCC(=O)NC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001521887248 1061196440 /nfs/dbraw/zinc/19/64/40/1061196440.db2.gz BJLZSDJHVMQMLO-NVXWUHKLSA-N 1 2 366.465 2.581 20 30 FFEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2scc(C(C)(C)C)c2C#N)CCO1 ZINC001476647237 1061449609 /nfs/dbraw/zinc/44/96/09/1061449609.db2.gz MPSXQKMAXYWGNH-GFCCVEGCSA-N 1 2 350.488 2.759 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2scc(C(C)(C)C)c2C#N)CCO1 ZINC001476647237 1061449618 /nfs/dbraw/zinc/44/96/18/1061449618.db2.gz MPSXQKMAXYWGNH-GFCCVEGCSA-N 1 2 350.488 2.759 20 30 FFEDLO Cc1nn(C(C)(C)C)c2nc(Cl)c(C[NH2+][C@H]3CCCN(O)C3=O)cc12 ZINC001462399379 1061610138 /nfs/dbraw/zinc/61/01/38/1061610138.db2.gz DJQJDVMDKGCDAW-ZDUSSCGKSA-N 1 2 365.865 2.618 20 30 FFEDLO CC(C)(C#N)CNC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001478412760 1062007428 /nfs/dbraw/zinc/00/74/28/1062007428.db2.gz IPCZVNVRWODGOS-UHFFFAOYSA-N 1 2 351.454 2.937 20 30 FFEDLO C#Cc1cccc(CNC(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC001478815972 1062121670 /nfs/dbraw/zinc/12/16/70/1062121670.db2.gz OIYPSPHIHAAWND-UHFFFAOYSA-N 1 2 363.461 2.574 20 30 FFEDLO C=C(C)CONC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001478905389 1062147961 /nfs/dbraw/zinc/14/79/61/1062147961.db2.gz HAAFHQCQSRXDBP-UHFFFAOYSA-N 1 2 353.850 2.554 20 30 FFEDLO N#CC1(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)CC2(CC2)C1 ZINC001463604437 1062176878 /nfs/dbraw/zinc/17/68/78/1062176878.db2.gz AEXAYKSNEZTNLM-UHFFFAOYSA-N 1 2 373.884 2.947 20 30 FFEDLO C=C1CCC(CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2Cc2ccccc2)CC1 ZINC001479048767 1062201109 /nfs/dbraw/zinc/20/11/09/1062201109.db2.gz RFHUJZGSKIIUQB-OAQYLSRUSA-N 1 2 370.541 2.848 20 30 FFEDLO C=C1CCC(CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2Cc2ccccc2)CC1 ZINC001479048767 1062201128 /nfs/dbraw/zinc/20/11/28/1062201128.db2.gz RFHUJZGSKIIUQB-OAQYLSRUSA-N 1 2 370.541 2.848 20 30 FFEDLO C#C[C@H]1CC[C@H](NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC001479208859 1062284959 /nfs/dbraw/zinc/28/49/59/1062284959.db2.gz GWYLUSYLARINHE-WGSAOQKQSA-N 1 2 355.482 2.585 20 30 FFEDLO N#CC[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC001523113375 1062383288 /nfs/dbraw/zinc/38/32/88/1062383288.db2.gz CHKRVOZKGVYUFY-SFTDATJTSA-N 1 2 363.461 2.701 20 30 FFEDLO N#CC[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC001523113375 1062383309 /nfs/dbraw/zinc/38/33/09/1062383309.db2.gz CHKRVOZKGVYUFY-SFTDATJTSA-N 1 2 363.461 2.701 20 30 FFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC001464560484 1062685754 /nfs/dbraw/zinc/68/57/54/1062685754.db2.gz LYNIIZYRQSULEL-UXHICEINSA-N 1 2 355.482 2.962 20 30 FFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC001464560484 1062685759 /nfs/dbraw/zinc/68/57/59/1062685759.db2.gz LYNIIZYRQSULEL-UXHICEINSA-N 1 2 355.482 2.962 20 30 FFEDLO N#CC1(CC(=O)Nc2ccc(C(N)=O)cc2-n2cc[nH+]c2)CCCCC1 ZINC001436371395 1062706750 /nfs/dbraw/zinc/70/67/50/1062706750.db2.gz UEPKLFWAYHCSQW-UHFFFAOYSA-N 1 2 351.410 2.774 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)[C@@H]1C ZINC001479702077 1062827156 /nfs/dbraw/zinc/82/71/56/1062827156.db2.gz MLAHOOGTDMSXHA-ZBFHGGJFSA-N 1 2 351.878 2.797 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)[C@@H]1C ZINC001479702077 1062827188 /nfs/dbraw/zinc/82/71/88/1062827188.db2.gz MLAHOOGTDMSXHA-ZBFHGGJFSA-N 1 2 351.878 2.797 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)/C(C)=C\CC)[C@H]2C)c1 ZINC001479700836 1062829406 /nfs/dbraw/zinc/82/94/06/1062829406.db2.gz XOXNYSFRVHSQGM-LDPPBKJKSA-N 1 2 353.466 2.542 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)/C(C)=C\CC)[C@H]2C)c1 ZINC001479700836 1062829432 /nfs/dbraw/zinc/82/94/32/1062829432.db2.gz XOXNYSFRVHSQGM-LDPPBKJKSA-N 1 2 353.466 2.542 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001532475120 1063083736 /nfs/dbraw/zinc/08/37/36/1063083736.db2.gz KBLZKCHHGQZBDG-ARFHVFGLSA-N 1 2 358.486 2.517 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001532475120 1063083754 /nfs/dbraw/zinc/08/37/54/1063083754.db2.gz KBLZKCHHGQZBDG-ARFHVFGLSA-N 1 2 358.486 2.517 20 30 FFEDLO C=C1CCC(C(=O)NC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)C)CC1 ZINC001532835651 1063188750 /nfs/dbraw/zinc/18/87/50/1063188750.db2.gz WNYLVDCVRCICOA-BRWVUGGUSA-N 1 2 358.486 2.517 20 30 FFEDLO C=C1CCC(C(=O)NC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)C)CC1 ZINC001532835651 1063188761 /nfs/dbraw/zinc/18/87/61/1063188761.db2.gz WNYLVDCVRCICOA-BRWVUGGUSA-N 1 2 358.486 2.517 20 30 FFEDLO C=CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2c[nH]nn2)C1)c1ccccc1 ZINC001575078113 1078104021 /nfs/dbraw/zinc/10/40/21/1078104021.db2.gz GAKVKCFJYHJCRV-XLIONFOSSA-N 1 2 367.497 2.883 20 30 FFEDLO C=CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2cn[nH]n2)C1)c1ccccc1 ZINC001575078113 1078104022 /nfs/dbraw/zinc/10/40/22/1078104022.db2.gz GAKVKCFJYHJCRV-XLIONFOSSA-N 1 2 367.497 2.883 20 30 FFEDLO C=CCC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)C2CCC=CCC2)CC1 ZINC001575097763 1078106816 /nfs/dbraw/zinc/10/68/16/1078106816.db2.gz QFMCCQIFYLHWLT-UHFFFAOYSA-N 1 2 357.502 2.920 20 30 FFEDLO C#CC[N@@H+](Cc1ccc(S(N)(=O)=O)cc1F)[C@H]1CCc2ccccc21 ZINC001474386586 1065508577 /nfs/dbraw/zinc/50/85/77/1065508577.db2.gz FJMQFXRGUZHFDI-IBGZPJMESA-N 1 2 358.438 2.596 20 30 FFEDLO C#CC[N@H+](Cc1ccc(S(N)(=O)=O)cc1F)[C@H]1CCc2ccccc21 ZINC001474386586 1065508592 /nfs/dbraw/zinc/50/85/92/1065508592.db2.gz FJMQFXRGUZHFDI-IBGZPJMESA-N 1 2 358.438 2.596 20 30 FFEDLO C=CC(C)(C)CC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001580248557 1078774098 /nfs/dbraw/zinc/77/40/98/1078774098.db2.gz DRQAYHJZKIDCKM-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CC(C)(C)CC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001580248557 1078774104 /nfs/dbraw/zinc/77/41/04/1078774104.db2.gz DRQAYHJZKIDCKM-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO CC1(C)C[C@H](O)C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC001560073868 1076221829 /nfs/dbraw/zinc/22/18/29/1076221829.db2.gz GDISGUCJLPLDAF-ZDUSSCGKSA-N 1 2 361.511 2.920 20 30 FFEDLO CC1(C)C[C@H](O)C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC001560073868 1076221831 /nfs/dbraw/zinc/22/18/31/1076221831.db2.gz GDISGUCJLPLDAF-ZDUSSCGKSA-N 1 2 361.511 2.920 20 30 FFEDLO CCOC(=O)[C@]1(F)C[N@H+](Cc2cc(C#N)ccc2N(C)C)CC12CCC2 ZINC001560928385 1076310952 /nfs/dbraw/zinc/31/09/52/1076310952.db2.gz SFNZKJOZDMZVSI-HXUWFJFHSA-N 1 2 359.445 2.882 20 30 FFEDLO CCOC(=O)[C@]1(F)C[N@@H+](Cc2cc(C#N)ccc2N(C)C)CC12CCC2 ZINC001560928385 1076310955 /nfs/dbraw/zinc/31/09/55/1076310955.db2.gz SFNZKJOZDMZVSI-HXUWFJFHSA-N 1 2 359.445 2.882 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NCc2nc(N(C)C)n(-c3ccccc3)c2Cl)C1 ZINC001561006245 1076318961 /nfs/dbraw/zinc/31/89/61/1076318961.db2.gz MGYLXGGMGVDTPX-INIZCTEOSA-N 1 2 371.916 2.779 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NCc2nc(N(C)C)n(-c3ccccc3)c2Cl)C1 ZINC001561006245 1076318965 /nfs/dbraw/zinc/31/89/65/1076318965.db2.gz MGYLXGGMGVDTPX-INIZCTEOSA-N 1 2 371.916 2.779 20 30 FFEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)CC1 ZINC001561939798 1076449847 /nfs/dbraw/zinc/44/98/47/1076449847.db2.gz BZWAANXCAXLBHA-UHFFFAOYSA-N 1 2 361.294 2.678 20 30 FFEDLO N#Cc1cccc([C@@H](NC(=O)NCCNc2cccc[nH+]2)C(F)(F)F)c1 ZINC001563210627 1076529326 /nfs/dbraw/zinc/52/93/26/1076529326.db2.gz HSWUXIWOIXDPEF-OAHLLOKOSA-N 1 2 363.343 2.968 20 30 FFEDLO C#Cc1ccc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2Cc2ccccc2)cc1 ZINC001563369580 1076547052 /nfs/dbraw/zinc/54/70/52/1076547052.db2.gz MDFZXBOFLDZBGE-NRFANRHFSA-N 1 2 362.477 2.606 20 30 FFEDLO C#Cc1ccc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2Cc2ccccc2)cc1 ZINC001563369580 1076547056 /nfs/dbraw/zinc/54/70/56/1076547056.db2.gz MDFZXBOFLDZBGE-NRFANRHFSA-N 1 2 362.477 2.606 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCC[C@@](C)(C#N)C3)C2)c1 ZINC001565225583 1076699755 /nfs/dbraw/zinc/69/97/55/1076699755.db2.gz XXVAXSDWEKEYSM-CTNGQTDRSA-N 1 2 370.497 2.531 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCC[C@@](C)(C#N)C3)C2)c1 ZINC001565225583 1076699759 /nfs/dbraw/zinc/69/97/59/1076699759.db2.gz XXVAXSDWEKEYSM-CTNGQTDRSA-N 1 2 370.497 2.531 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCC[C@](C)(C#N)C3)C2)c1 ZINC001565225587 1076699959 /nfs/dbraw/zinc/69/99/59/1076699959.db2.gz XXVAXSDWEKEYSM-PZJWPPBQSA-N 1 2 370.497 2.531 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCC[C@](C)(C#N)C3)C2)c1 ZINC001565225587 1076699963 /nfs/dbraw/zinc/69/99/63/1076699963.db2.gz XXVAXSDWEKEYSM-PZJWPPBQSA-N 1 2 370.497 2.531 20 30 FFEDLO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC001566371914 1076952602 /nfs/dbraw/zinc/95/26/02/1076952602.db2.gz DAAJPZIROZXFHJ-MRXNPFEDSA-N 1 2 364.490 2.981 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@@H]3CCN(C(=O)C[C@H](C)n4cc[nH+]c4)[C@@H]3C2)CC1 ZINC001572778536 1077366074 /nfs/dbraw/zinc/36/60/74/1077366074.db2.gz KRQZTDFFBZUPNI-OKZBNKHCSA-N 1 2 370.497 2.640 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC001573512873 1077722571 /nfs/dbraw/zinc/72/25/71/1077722571.db2.gz LKRHBKFCNQVVJO-WBVHZDCISA-N 1 2 354.454 2.718 20 30 FFEDLO C=CCC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C3)CCC1 ZINC001574246097 1077938397 /nfs/dbraw/zinc/93/83/97/1077938397.db2.gz GXAVXEPJMKVBDK-BDXSIMOUSA-N 1 2 370.497 2.829 20 30 FFEDLO CCCCCCCC[C@@H](C)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001586248393 1079583831 /nfs/dbraw/zinc/58/38/31/1079583831.db2.gz LQLUHTBHUYQOMB-RTBURBONSA-N 1 2 354.535 2.933 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1CCc1cn2ccccc2[nH+]1 ZINC001587614476 1079827928 /nfs/dbraw/zinc/82/79/28/1079827928.db2.gz JFXXZGXAXWIWRP-HNNXBMFYSA-N 1 2 359.437 2.622 20 30 FFEDLO C#CCN(CC#C)c1nnc(C2CCCC2)n1CCc1cn2ccccc2[nH+]1 ZINC001588134237 1079932888 /nfs/dbraw/zinc/93/28/88/1079932888.db2.gz USYCRXKIGWLJQI-UHFFFAOYSA-N 1 2 372.476 2.899 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CCCC(F)(F)F)CC1 ZINC001588741982 1080177642 /nfs/dbraw/zinc/17/76/42/1080177642.db2.gz LVNLXLYFPXZWOI-UHFFFAOYSA-N 1 2 357.424 2.673 20 30 FFEDLO Cc1[nH]c(-c2ccc(NC(=O)CNC(=O)c3ccc(C#N)cc3)cc2)[nH+]c1C ZINC001589437725 1080531303 /nfs/dbraw/zinc/53/13/03/1080531303.db2.gz NJXZHFWAKAKAQU-UHFFFAOYSA-N 1 2 373.416 2.934 20 30 FFEDLO COc1ccc([C@@H](NC(=O)c2cc(C#N)oc2C)c2[nH+]ccn2C)cc1 ZINC000366617454 512110427 /nfs/dbraw/zinc/11/04/27/512110427.db2.gz DQLUKUXXSYIYIT-QGZVFWFLSA-N 1 2 350.378 2.721 20 30 FFEDLO CC(C)COC(=O)N1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000092754437 250000725 /nfs/dbraw/zinc/00/07/25/250000725.db2.gz YXYDOOVKVWMVFL-UHFFFAOYSA-N 1 2 355.442 2.506 20 30 FFEDLO CC(C)COC(=O)N1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000092754437 250000728 /nfs/dbraw/zinc/00/07/28/250000728.db2.gz YXYDOOVKVWMVFL-UHFFFAOYSA-N 1 2 355.442 2.506 20 30 FFEDLO CCCC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000101913292 250093908 /nfs/dbraw/zinc/09/39/08/250093908.db2.gz DMABUAFUXZFOFO-GOEBONIOSA-N 1 2 374.485 2.723 20 30 FFEDLO CCCC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000101913292 250093910 /nfs/dbraw/zinc/09/39/10/250093910.db2.gz DMABUAFUXZFOFO-GOEBONIOSA-N 1 2 374.485 2.723 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c(C#N)c1C ZINC000101910051 250093500 /nfs/dbraw/zinc/09/35/00/250093500.db2.gz WBPHAVLJYJGHSW-GOEBONIOSA-N 1 2 374.485 2.579 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c(C#N)c1C ZINC000101910051 250093503 /nfs/dbraw/zinc/09/35/03/250093503.db2.gz WBPHAVLJYJGHSW-GOEBONIOSA-N 1 2 374.485 2.579 20 30 FFEDLO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000163413795 251189797 /nfs/dbraw/zinc/18/97/97/251189797.db2.gz ZQMPGDQLDBAXOH-UHFFFAOYSA-N 1 2 374.448 2.547 20 30 FFEDLO Cc1ccnc(NCc2cccc(OCC[NH+]3CCOCC3)c2)c1C#N ZINC000273307451 252278430 /nfs/dbraw/zinc/27/84/30/252278430.db2.gz HYHLXOJRAGDYRG-UHFFFAOYSA-N 1 2 352.438 2.585 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]([C@H](O)C(F)(F)F)C3)o2)cc1 ZINC000277930572 256256823 /nfs/dbraw/zinc/25/68/23/256256823.db2.gz YRJMXCJQFWUBOD-HIFRSBDPSA-N 1 2 366.343 2.743 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]([C@H](O)C(F)(F)F)C3)o2)cc1 ZINC000277930572 256256824 /nfs/dbraw/zinc/25/68/24/256256824.db2.gz YRJMXCJQFWUBOD-HIFRSBDPSA-N 1 2 366.343 2.743 20 30 FFEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000286631191 257046655 /nfs/dbraw/zinc/04/66/55/257046655.db2.gz SPPNWEKXWXTJBR-INIZCTEOSA-N 1 2 351.328 2.738 20 30 FFEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000286631191 257046656 /nfs/dbraw/zinc/04/66/56/257046656.db2.gz SPPNWEKXWXTJBR-INIZCTEOSA-N 1 2 351.328 2.738 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC4(C3)Oc3ccccc3O4)C2=O)cc1 ZINC000289084939 257255207 /nfs/dbraw/zinc/25/52/07/257255207.db2.gz TXDJVCAJPXVEHB-QGZVFWFLSA-N 1 2 361.401 2.537 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC4(C3)Oc3ccccc3O4)C2=O)cc1 ZINC000289084939 257255209 /nfs/dbraw/zinc/25/52/09/257255209.db2.gz TXDJVCAJPXVEHB-QGZVFWFLSA-N 1 2 361.401 2.537 20 30 FFEDLO CC(C)n1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)nn1 ZINC000289278509 257270943 /nfs/dbraw/zinc/27/09/43/257270943.db2.gz FTPNAZXDCDBAAJ-UHFFFAOYSA-N 1 2 352.442 2.581 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000291355717 257399767 /nfs/dbraw/zinc/39/97/67/257399767.db2.gz SARXZDFQRALOIQ-INIZCTEOSA-N 1 2 369.400 2.606 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)C1 ZINC000301390298 258047046 /nfs/dbraw/zinc/04/70/46/258047046.db2.gz GDXLGFDLQBJYLQ-QAPCUYQASA-N 1 2 358.461 2.514 20 30 FFEDLO Cc1nc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(C)c(C)[nH+]1 ZINC000301698363 258063597 /nfs/dbraw/zinc/06/35/97/258063597.db2.gz RAUVOYGIIIULCJ-UHFFFAOYSA-N 1 2 364.409 2.848 20 30 FFEDLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC000301953780 258078238 /nfs/dbraw/zinc/07/82/38/258078238.db2.gz CZEMCDLKKOJLKX-CYBMUJFWSA-N 1 2 372.270 2.994 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3ccnn3C)C2)c(C#N)c1C ZINC000331497892 258188596 /nfs/dbraw/zinc/18/85/96/258188596.db2.gz QHGKCRZDYSFAKX-ZFWWWQNUSA-N 1 2 355.442 2.708 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3ccnn3C)C2)c(C#N)c1C ZINC000331497892 258188597 /nfs/dbraw/zinc/18/85/97/258188597.db2.gz QHGKCRZDYSFAKX-ZFWWWQNUSA-N 1 2 355.442 2.708 20 30 FFEDLO C[C@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCC1=O ZINC000328957113 258125479 /nfs/dbraw/zinc/12/54/79/258125479.db2.gz ZLNUSFMQANTJLD-LPHOPBHVSA-N 1 2 353.466 2.598 20 30 FFEDLO C[C@H]1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCC1=O ZINC000328957113 258125480 /nfs/dbraw/zinc/12/54/80/258125480.db2.gz ZLNUSFMQANTJLD-LPHOPBHVSA-N 1 2 353.466 2.598 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cn4cc(Cl)ccc4n3)CC2)nc1 ZINC000060481281 136132446 /nfs/dbraw/zinc/13/24/46/136132446.db2.gz UGDJVSURAKMIPU-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 in-vitro FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000065238358 506273697 /nfs/dbraw/zinc/27/36/97/506273697.db2.gz QACWPOHDJQZDAH-LPHOPBHVSA-N 1 2 361.461 2.815 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000065238358 506273705 /nfs/dbraw/zinc/27/37/05/506273705.db2.gz QACWPOHDJQZDAH-LPHOPBHVSA-N 1 2 361.461 2.815 20 30 FFEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000375266141 512240178 /nfs/dbraw/zinc/24/01/78/512240178.db2.gz KPCCLVXJOSOTDC-HXUWFJFHSA-N 1 2 367.497 2.960 20 30 FFEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000375266141 512240182 /nfs/dbraw/zinc/24/01/82/512240182.db2.gz KPCCLVXJOSOTDC-HXUWFJFHSA-N 1 2 367.497 2.960 20 30 FFEDLO C=CCc1ccc(OCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(OC)c1 ZINC000371178571 512256266 /nfs/dbraw/zinc/25/62/66/512256266.db2.gz XWDBTKNWBXPRFA-UHFFFAOYSA-N 1 2 355.438 2.932 20 30 FFEDLO C=CCc1ccc(OCC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c(OC)c1 ZINC000371178571 512256268 /nfs/dbraw/zinc/25/62/68/512256268.db2.gz XWDBTKNWBXPRFA-UHFFFAOYSA-N 1 2 355.438 2.932 20 30 FFEDLO Cn1cc(C[NH2+]Cc2nccc(C(F)F)n2)c(-c2ccc(C#N)cc2)n1 ZINC000377414626 512258128 /nfs/dbraw/zinc/25/81/28/512258128.db2.gz WHQLOBGLPNCMLZ-UHFFFAOYSA-N 1 2 354.364 2.976 20 30 FFEDLO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000036321301 506401752 /nfs/dbraw/zinc/40/17/52/506401752.db2.gz DXMHVZQTTCSBDR-UHFFFAOYSA-N 1 2 354.479 2.766 20 30 FFEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccccc2I)CC1 ZINC000054366482 506544436 /nfs/dbraw/zinc/54/44/36/506544436.db2.gz UQASWRXCHRRXFC-UHFFFAOYSA-N 1 2 370.234 2.625 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000054538039 506574628 /nfs/dbraw/zinc/57/46/28/506574628.db2.gz NSGMSJXRTGPKKZ-UHFFFAOYSA-N 1 2 360.458 2.578 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)Nc1ccc(CC#N)cc1)CC2 ZINC000007913562 506600340 /nfs/dbraw/zinc/60/03/40/506600340.db2.gz AFIBJURDLCPJGW-UHFFFAOYSA-N 1 2 365.433 2.767 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)Nc1ccc(CC#N)cc1)CC2 ZINC000007913562 506600346 /nfs/dbraw/zinc/60/03/46/506600346.db2.gz AFIBJURDLCPJGW-UHFFFAOYSA-N 1 2 365.433 2.767 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000410563611 512295317 /nfs/dbraw/zinc/29/53/17/512295317.db2.gz QTXDIBKIPHUIPX-MJGOQNOKSA-N 1 2 372.513 2.888 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000015102094 507020546 /nfs/dbraw/zinc/02/05/46/507020546.db2.gz QMDQSZMFCQJGRA-UHFFFAOYSA-N 1 2 373.453 2.594 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000015102094 507020549 /nfs/dbraw/zinc/02/05/49/507020549.db2.gz QMDQSZMFCQJGRA-UHFFFAOYSA-N 1 2 373.453 2.594 20 30 FFEDLO C=CCN(Cc1ccccc1)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000045968492 507056316 /nfs/dbraw/zinc/05/63/16/507056316.db2.gz IQHGZKATRHWGBB-UHFFFAOYSA-N 1 2 366.465 2.816 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CCC(C(=O)OC)CC1)Cc1ccc(Cl)s1 ZINC000046171418 507091418 /nfs/dbraw/zinc/09/14/18/507091418.db2.gz ZNSGPFMTRSDTBH-UHFFFAOYSA-N 1 2 370.902 2.801 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CCC(C(=O)OC)CC1)Cc1ccc(Cl)s1 ZINC000046171418 507091423 /nfs/dbraw/zinc/09/14/23/507091423.db2.gz ZNSGPFMTRSDTBH-UHFFFAOYSA-N 1 2 370.902 2.801 20 30 FFEDLO C[C@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367057439 512318392 /nfs/dbraw/zinc/31/83/92/512318392.db2.gz JNXFYPWTGXBXRT-KRWDZBQOSA-N 1 2 360.461 2.917 20 30 FFEDLO C[N@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccc(C#N)cc1 ZINC000046528929 507149645 /nfs/dbraw/zinc/14/96/45/507149645.db2.gz QUTVYDCEZVBBGM-UHFFFAOYSA-N 1 2 362.433 2.756 20 30 FFEDLO C[N@@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccc(C#N)cc1 ZINC000046528929 507149647 /nfs/dbraw/zinc/14/96/47/507149647.db2.gz QUTVYDCEZVBBGM-UHFFFAOYSA-N 1 2 362.433 2.756 20 30 FFEDLO C=CCOc1ccccc1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000047187051 507279117 /nfs/dbraw/zinc/27/91/17/507279117.db2.gz GZDVQNAAIHVGHE-INIZCTEOSA-N 1 2 367.449 2.802 20 30 FFEDLO N#CCCN(Cc1ccco1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000057675596 507303649 /nfs/dbraw/zinc/30/36/49/507303649.db2.gz MROGDICLQGWTEJ-UHFFFAOYSA-N 1 2 365.349 2.930 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000068806817 507330635 /nfs/dbraw/zinc/33/06/35/507330635.db2.gz PWHHPRCLLFADTJ-HXUWFJFHSA-N 1 2 364.424 2.625 20 30 FFEDLO N#CC1CC[NH+](CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)CC1 ZINC000057875529 507346188 /nfs/dbraw/zinc/34/61/88/507346188.db2.gz RDZIWLKBPIMCIP-UHFFFAOYSA-N 1 2 351.332 2.756 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCN(CC(F)F)CC1 ZINC000057912236 507352219 /nfs/dbraw/zinc/35/22/19/507352219.db2.gz WOJYIEUKWKQJKA-CQSZACIVSA-N 1 2 357.470 2.534 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3ccccc3F)CC2)cc1 ZINC000023438062 507354097 /nfs/dbraw/zinc/35/40/97/507354097.db2.gz RXWNHRLJEYYQGE-UHFFFAOYSA-N 1 2 351.425 2.974 20 30 FFEDLO Cc1ccc(C)c(OCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000023437633 507354430 /nfs/dbraw/zinc/35/44/30/507354430.db2.gz KUQFBSOWKCRWOX-UHFFFAOYSA-N 1 2 363.461 2.898 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000069036910 507386282 /nfs/dbraw/zinc/38/62/82/507386282.db2.gz ZJQFARFMLQLQQN-HNAYVOBHSA-N 1 2 362.905 2.905 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)NCc2cn3c(cccc3C)[nH+]2)cc1 ZINC000069293725 507458800 /nfs/dbraw/zinc/45/88/00/507458800.db2.gz OZUDWYXEYZERPV-UHFFFAOYSA-N 1 2 363.421 2.880 20 30 FFEDLO COc1cc(OC)cc([C@@H](NC[C@@H](C#N)CCC#N)c2[nH+]ccn2C)c1 ZINC000028692540 507736924 /nfs/dbraw/zinc/73/69/24/507736924.db2.gz BOVGZZWIYZTHNF-RDTXWAMCSA-N 1 2 353.426 2.560 20 30 FFEDLO COCC[N@H+](CC(=O)N1CCc2ccccc2C1)Cc1ccc(C#N)cc1 ZINC000063754362 507767906 /nfs/dbraw/zinc/76/79/06/507767906.db2.gz WEJRDHRKAUBCBO-UHFFFAOYSA-N 1 2 363.461 2.592 20 30 FFEDLO COCC[N@@H+](CC(=O)N1CCc2ccccc2C1)Cc1ccc(C#N)cc1 ZINC000063754362 507767912 /nfs/dbraw/zinc/76/79/12/507767912.db2.gz WEJRDHRKAUBCBO-UHFFFAOYSA-N 1 2 363.461 2.592 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CCC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000051591758 507776805 /nfs/dbraw/zinc/77/68/05/507776805.db2.gz GZOKREONDCTYLI-UHFFFAOYSA-N 1 2 366.440 2.844 20 30 FFEDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1F ZINC000029447167 507778435 /nfs/dbraw/zinc/77/84/35/507778435.db2.gz OHECYLOZXSKSBP-OAHLLOKOSA-N 1 2 367.428 2.550 20 30 FFEDLO C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029856928 507792784 /nfs/dbraw/zinc/79/27/84/507792784.db2.gz QQNLQMSZXBAOAW-INIZCTEOSA-N 1 2 372.488 2.904 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3nccs3)CC2)c(C#N)c1C ZINC000064401799 507795088 /nfs/dbraw/zinc/79/50/88/507795088.db2.gz YNENBUGVNWNFOL-CYBMUJFWSA-N 1 2 373.482 2.764 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCCN(c3nccs3)CC2)c(C#N)c1C ZINC000064401799 507795091 /nfs/dbraw/zinc/79/50/91/507795091.db2.gz YNENBUGVNWNFOL-CYBMUJFWSA-N 1 2 373.482 2.764 20 30 FFEDLO CC(=O)N1CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC12CCCCC2 ZINC000371377384 512362041 /nfs/dbraw/zinc/36/20/41/512362041.db2.gz CLTOTMIXMPPZPZ-KRWDZBQOSA-N 1 2 374.529 2.585 20 30 FFEDLO CC(=O)N1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC12CCCCC2 ZINC000371377384 512362044 /nfs/dbraw/zinc/36/20/44/512362044.db2.gz CLTOTMIXMPPZPZ-KRWDZBQOSA-N 1 2 374.529 2.585 20 30 FFEDLO CCOc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)Cc2csc(C)n2)cc1 ZINC000072920073 507873479 /nfs/dbraw/zinc/87/34/79/507873479.db2.gz MURURIVKUIEZIJ-LLVKDONJSA-N 1 2 362.455 2.709 20 30 FFEDLO CCn1cc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cn1 ZINC000072981158 507879997 /nfs/dbraw/zinc/87/99/97/507879997.db2.gz AJJNHASVJSINFD-OAHLLOKOSA-N 1 2 357.433 2.809 20 30 FFEDLO CCn1cc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cn1 ZINC000072981158 507879998 /nfs/dbraw/zinc/87/99/98/507879998.db2.gz AJJNHASVJSINFD-OAHLLOKOSA-N 1 2 357.433 2.809 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000108363874 507890300 /nfs/dbraw/zinc/89/03/00/507890300.db2.gz WRQRLFYDMGVBOK-GOEBONIOSA-N 1 2 374.510 2.620 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000108363874 507890302 /nfs/dbraw/zinc/89/03/02/507890302.db2.gz WRQRLFYDMGVBOK-GOEBONIOSA-N 1 2 374.510 2.620 20 30 FFEDLO Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCN(c3ncccc3C#N)CC2)c1 ZINC000073108725 507894506 /nfs/dbraw/zinc/89/45/06/507894506.db2.gz XZTCTDVDFZXJKN-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000108606883 507908180 /nfs/dbraw/zinc/90/81/80/507908180.db2.gz SUPQETQENKPWDU-BQYQJAHWSA-N 1 2 350.422 2.521 20 30 FFEDLO N#Cc1c(F)cccc1N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000110198736 508012858 /nfs/dbraw/zinc/01/28/58/508012858.db2.gz VDXIERSZCHPLEG-UHFFFAOYSA-N 1 2 366.444 2.804 20 30 FFEDLO N#Cc1c(F)cccc1N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000110198736 508012860 /nfs/dbraw/zinc/01/28/60/508012860.db2.gz VDXIERSZCHPLEG-UHFFFAOYSA-N 1 2 366.444 2.804 20 30 FFEDLO C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000110305585 508019456 /nfs/dbraw/zinc/01/94/56/508019456.db2.gz ULEIBUKCASYXHG-UPTPFMHGSA-N 1 2 372.488 2.903 20 30 FFEDLO COC(=O)c1ccccc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000091918007 508024445 /nfs/dbraw/zinc/02/44/45/508024445.db2.gz HMFFKINXZMHELU-UHFFFAOYSA-N 1 2 353.397 2.806 20 30 FFEDLO C=CC[N@@H+](Cc1cc(Cl)c(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361066 508064405 /nfs/dbraw/zinc/06/44/05/508064405.db2.gz XMHUNEWJYXABSN-CQSZACIVSA-N 1 2 373.902 2.922 20 30 FFEDLO C=CC[N@H+](Cc1cc(Cl)c(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361066 508064408 /nfs/dbraw/zinc/06/44/08/508064408.db2.gz XMHUNEWJYXABSN-CQSZACIVSA-N 1 2 373.902 2.922 20 30 FFEDLO CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000080908461 508110670 /nfs/dbraw/zinc/11/06/70/508110670.db2.gz KPYHSXGPHUDSBD-QUCCMNQESA-N 1 2 356.514 2.762 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+](CCC3CCCCC3)CC(N)=O)o2)cc1 ZINC000075716977 508131029 /nfs/dbraw/zinc/13/10/29/508131029.db2.gz FLSPCTMATSABLX-UHFFFAOYSA-N 1 2 367.453 2.866 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+](CCC3CCCCC3)CC(N)=O)o2)cc1 ZINC000075716977 508131030 /nfs/dbraw/zinc/13/10/30/508131030.db2.gz FLSPCTMATSABLX-UHFFFAOYSA-N 1 2 367.453 2.866 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(Cl)cc2cccnc21 ZINC000081158457 508142039 /nfs/dbraw/zinc/14/20/39/508142039.db2.gz HBOWVALAABEWMZ-UHFFFAOYSA-N 1 2 358.873 2.936 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Cl)c2cccnc12 ZINC000081158085 508142480 /nfs/dbraw/zinc/14/24/80/508142480.db2.gz FZNKVIMAPSEDBC-UHFFFAOYSA-N 1 2 358.873 2.936 20 30 FFEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1ccc(Cl)c2cccnc12 ZINC000081158085 508142482 /nfs/dbraw/zinc/14/24/82/508142482.db2.gz FZNKVIMAPSEDBC-UHFFFAOYSA-N 1 2 358.873 2.936 20 30 FFEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1ccc(Cl)c2cccnc12 ZINC000081158085 508142484 /nfs/dbraw/zinc/14/24/84/508142484.db2.gz FZNKVIMAPSEDBC-UHFFFAOYSA-N 1 2 358.873 2.936 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(c3nc(CC)ns3)CC2)cc1OC ZINC000093643061 508150660 /nfs/dbraw/zinc/15/06/60/508150660.db2.gz SYEIGQHENRTPPD-UHFFFAOYSA-N 1 2 374.510 2.996 20 30 FFEDLO COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)Cc3ccccc3C#N)C2=O)c1 ZINC000081518747 508184205 /nfs/dbraw/zinc/18/42/05/508184205.db2.gz UBGTZVVTDBZJDE-HXUWFJFHSA-N 1 2 365.433 2.813 20 30 FFEDLO COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3C#N)C2=O)c1 ZINC000081518747 508184208 /nfs/dbraw/zinc/18/42/08/508184208.db2.gz UBGTZVVTDBZJDE-HXUWFJFHSA-N 1 2 365.433 2.813 20 30 FFEDLO C=C(C)CN(C)C(=O)C(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000410815290 512382517 /nfs/dbraw/zinc/38/25/17/512382517.db2.gz SPXCQIIMEFJVMH-UHFFFAOYSA-N 1 2 354.454 2.543 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000112658141 508206627 /nfs/dbraw/zinc/20/66/27/508206627.db2.gz CMWIDETXBPEDPL-IRXDYDNUSA-N 1 2 363.465 2.659 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C[C@@H]1COc2ccccc2O1 ZINC000097009832 508217709 /nfs/dbraw/zinc/21/77/09/508217709.db2.gz YKTLTQKNBGCUMQ-OAHLLOKOSA-N 1 2 369.421 2.869 20 30 FFEDLO CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C[C@@H]1COc2ccccc2O1 ZINC000097009832 508217710 /nfs/dbraw/zinc/21/77/10/508217710.db2.gz YKTLTQKNBGCUMQ-OAHLLOKOSA-N 1 2 369.421 2.869 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000083169846 508238698 /nfs/dbraw/zinc/23/86/98/508238698.db2.gz XZXCBXXKDRHGOB-SNRMKQJTSA-N 1 2 371.481 2.789 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000083169846 508238701 /nfs/dbraw/zinc/23/87/01/508238701.db2.gz XZXCBXXKDRHGOB-SNRMKQJTSA-N 1 2 371.481 2.789 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000101555938 508246150 /nfs/dbraw/zinc/24/61/50/508246150.db2.gz XKGNYANFOZLLSP-GOSISDBHSA-N 1 2 361.530 2.690 20 30 FFEDLO C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554923 508246442 /nfs/dbraw/zinc/24/64/42/508246442.db2.gz JJDVQSBJEGGSOK-GOSISDBHSA-N 1 2 362.477 2.727 20 30 FFEDLO CCSCC[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000076787780 508253801 /nfs/dbraw/zinc/25/38/01/508253801.db2.gz BYRRSAOEGJIMAZ-MRXNPFEDSA-N 1 2 360.527 2.917 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cccc(C#N)c1 ZINC000076835905 508257011 /nfs/dbraw/zinc/25/70/11/508257011.db2.gz MLONNSBDMNBQIG-SFHVURJKSA-N 1 2 363.461 2.921 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000102355705 508273167 /nfs/dbraw/zinc/27/31/67/508273167.db2.gz ROTATNUUPUDZPQ-UHFFFAOYSA-N 1 2 363.417 2.511 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000088524694 508374631 /nfs/dbraw/zinc/37/46/31/508374631.db2.gz KDUPMGKVPXEKCU-RTWAWAEBSA-N 1 2 360.461 2.674 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)C2=O)cc1 ZINC000088606613 508378862 /nfs/dbraw/zinc/37/88/62/508378862.db2.gz UQFNJBUBAAENDW-IBGZPJMESA-N 1 2 362.389 2.630 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)C2=O)cc1 ZINC000088606613 508378865 /nfs/dbraw/zinc/37/88/65/508378865.db2.gz UQFNJBUBAAENDW-IBGZPJMESA-N 1 2 362.389 2.630 20 30 FFEDLO C=CCOc1cccc(NC(=O)C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000077836409 508382978 /nfs/dbraw/zinc/38/29/78/508382978.db2.gz UHESGJXYGCTQHU-UHFFFAOYSA-N 1 2 368.437 2.593 20 30 FFEDLO CC(C)c1nc(N2CCO[C@@H](c3cccc(C#N)c3)C2)nc(N(C)C)[nH+]1 ZINC000367221018 512392860 /nfs/dbraw/zinc/39/28/60/512392860.db2.gz BBBLSAVLBPHWDN-MRXNPFEDSA-N 1 2 352.442 2.511 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(Nc3ccc(F)cc3)CC2)cc1 ZINC000115540185 508405802 /nfs/dbraw/zinc/40/58/02/508405802.db2.gz ORHTZWZYSGLCDR-IBGZPJMESA-N 1 2 352.413 2.800 20 30 FFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C(N)=O)cc1 ZINC000115598661 508416346 /nfs/dbraw/zinc/41/63/46/508416346.db2.gz LDGIKTUJJVAWKI-OAHLLOKOSA-N 1 2 362.202 2.776 20 30 FFEDLO N#Cc1ccccc1S(=O)(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000156546456 508436471 /nfs/dbraw/zinc/43/64/71/508436471.db2.gz SILLCCMVCCIOBA-UHFFFAOYSA-N 1 2 370.478 2.812 20 30 FFEDLO C[NH+](C)[C@H](CNC(=O)NCc1ccc(C#N)cc1)c1c(F)cccc1F ZINC000115795887 508438114 /nfs/dbraw/zinc/43/81/14/508438114.db2.gz PWZAQRXQXQEQEN-QGZVFWFLSA-N 1 2 358.392 2.939 20 30 FFEDLO C[C@]1(c2ccccc2)C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000121877779 508438374 /nfs/dbraw/zinc/43/83/74/508438374.db2.gz RLMYYIORHIYTLA-IFMALSPDSA-N 1 2 361.445 2.911 20 30 FFEDLO C[C@]1(c2ccccc2)C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000121877779 508438377 /nfs/dbraw/zinc/43/83/77/508438377.db2.gz RLMYYIORHIYTLA-IFMALSPDSA-N 1 2 361.445 2.911 20 30 FFEDLO C[C@@]1(c2ccccc2)C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000121877945 508438443 /nfs/dbraw/zinc/43/84/43/508438443.db2.gz RLMYYIORHIYTLA-IRLDBZIGSA-N 1 2 361.445 2.911 20 30 FFEDLO C[C@@]1(c2ccccc2)C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000121877945 508438447 /nfs/dbraw/zinc/43/84/47/508438447.db2.gz RLMYYIORHIYTLA-IRLDBZIGSA-N 1 2 361.445 2.911 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000156832644 508483814 /nfs/dbraw/zinc/48/38/14/508483814.db2.gz RXXHLYGZPDSUKV-HKUYNNGSSA-N 1 2 358.463 2.627 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000156832644 508483819 /nfs/dbraw/zinc/48/38/19/508483819.db2.gz RXXHLYGZPDSUKV-HKUYNNGSSA-N 1 2 358.463 2.627 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000156931570 508498631 /nfs/dbraw/zinc/49/86/31/508498631.db2.gz AOZLGJSCXKOHOH-LJQANCHMSA-N 1 2 369.490 2.908 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000156931570 508498633 /nfs/dbraw/zinc/49/86/33/508498633.db2.gz AOZLGJSCXKOHOH-LJQANCHMSA-N 1 2 369.490 2.908 20 30 FFEDLO Cc1ccc([C@H]2CSCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)cc1 ZINC000116325939 508499060 /nfs/dbraw/zinc/49/90/60/508499060.db2.gz ZJWACJIOABSVMI-GOSISDBHSA-N 1 2 356.495 2.741 20 30 FFEDLO Cc1ccc([C@H]2CSCC[N@H+]2CC(=O)N(CCC#N)CCC#N)cc1 ZINC000116325939 508499064 /nfs/dbraw/zinc/49/90/64/508499064.db2.gz ZJWACJIOABSVMI-GOSISDBHSA-N 1 2 356.495 2.741 20 30 FFEDLO CCCc1noc(CO[NH+]=C(N)c2cccc(Cn3nc(C)cc3C)c2)n1 ZINC000122234275 508503604 /nfs/dbraw/zinc/50/36/04/508503604.db2.gz DFBKCXPXYMMROI-UHFFFAOYSA-N 1 2 368.441 2.721 20 30 FFEDLO COCCCOC1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000122450413 508536986 /nfs/dbraw/zinc/53/69/86/508536986.db2.gz RMUJEBSWPZJHEQ-CQSZACIVSA-N 1 2 363.458 2.613 20 30 FFEDLO C[C@H](C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000116876793 508568732 /nfs/dbraw/zinc/56/87/32/508568732.db2.gz HVEADFLRRREDMQ-QGZVFWFLSA-N 1 2 369.490 2.668 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153376487 508577291 /nfs/dbraw/zinc/57/72/91/508577291.db2.gz WZNNQZMJQFJZAN-ZDUSSCGKSA-N 1 2 350.378 2.852 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153376487 508577294 /nfs/dbraw/zinc/57/72/94/508577294.db2.gz WZNNQZMJQFJZAN-ZDUSSCGKSA-N 1 2 350.378 2.852 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157664818 508594387 /nfs/dbraw/zinc/59/43/87/508594387.db2.gz CJLJUAIGUBEMJJ-WBVHZDCISA-N 1 2 359.445 2.729 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157664818 508594389 /nfs/dbraw/zinc/59/43/89/508594389.db2.gz CJLJUAIGUBEMJJ-WBVHZDCISA-N 1 2 359.445 2.729 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCCC[C@H]2CO)c1C#N ZINC000123019148 508623485 /nfs/dbraw/zinc/62/34/85/508623485.db2.gz JKOPKUOZRVXJSC-KRWDZBQOSA-N 1 2 358.486 2.877 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCCC[C@H]2CO)c1C#N ZINC000123019148 508623486 /nfs/dbraw/zinc/62/34/86/508623486.db2.gz JKOPKUOZRVXJSC-KRWDZBQOSA-N 1 2 358.486 2.877 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2cccc(Br)c2C1 ZINC000118411437 508648825 /nfs/dbraw/zinc/64/88/25/508648825.db2.gz NQHGIZYFMASQAD-CYBMUJFWSA-N 1 2 364.287 2.815 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2cccc(Br)c2C1 ZINC000118411437 508648827 /nfs/dbraw/zinc/64/88/27/508648827.db2.gz NQHGIZYFMASQAD-CYBMUJFWSA-N 1 2 364.287 2.815 20 30 FFEDLO C=CCNc1ncc(C(=O)NC[C@H](C(CC)CC)[NH+]2CCOCC2)s1 ZINC000136118166 508671747 /nfs/dbraw/zinc/67/17/47/508671747.db2.gz VLTPCUZCZSPBCG-OAHLLOKOSA-N 1 2 366.531 2.608 20 30 FFEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCCNc1cccc[nH+]1 ZINC000136201466 508678408 /nfs/dbraw/zinc/67/84/08/508678408.db2.gz RZOCEIHXCUJLKM-LJQANCHMSA-N 1 2 352.438 2.975 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000118836708 508681655 /nfs/dbraw/zinc/68/16/55/508681655.db2.gz WPYSJMWMBYEWEJ-DLBZAZTESA-N 1 2 363.465 2.659 20 30 FFEDLO Cc1c[nH+]ccc1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000154009831 508697717 /nfs/dbraw/zinc/69/77/17/508697717.db2.gz JBBBACHWWQWCGZ-UHFFFAOYSA-N 1 2 352.213 2.825 20 30 FFEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)c3ccco3)CC2)c1 ZINC000158467033 508708434 /nfs/dbraw/zinc/70/84/34/508708434.db2.gz FTRZXFOVBHARAZ-UHFFFAOYSA-N 1 2 353.422 2.920 20 30 FFEDLO O=C(C[N@H+](CC#Cc1cccc(Cl)c1)C[C@H]1CCCO1)N1CCCC1 ZINC000154145253 508724792 /nfs/dbraw/zinc/72/47/92/508724792.db2.gz JJUVPCOICPMALF-LJQANCHMSA-N 1 2 360.885 2.795 20 30 FFEDLO O=C(C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@H]1CCCO1)N1CCCC1 ZINC000154145253 508724796 /nfs/dbraw/zinc/72/47/96/508724796.db2.gz JJUVPCOICPMALF-LJQANCHMSA-N 1 2 360.885 2.795 20 30 FFEDLO Cn1c[nH+]cc1CCNC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000158983996 508777471 /nfs/dbraw/zinc/77/74/71/508777471.db2.gz CUQIIQTYNSBLSJ-UHFFFAOYSA-N 1 2 360.417 2.843 20 30 FFEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)c1 ZINC000130029101 508788920 /nfs/dbraw/zinc/78/89/20/508788920.db2.gz WWWKGCSNTGGDRK-UHFFFAOYSA-N 1 2 352.434 2.915 20 30 FFEDLO CCc1ccccc1NC(=O)CN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000119431668 508795510 /nfs/dbraw/zinc/79/55/10/508795510.db2.gz TZYUOROPAQYEOT-UHFFFAOYSA-N 1 2 368.506 2.938 20 30 FFEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159154197 508800246 /nfs/dbraw/zinc/80/02/46/508800246.db2.gz YIDLYFFDADTFJT-INIZCTEOSA-N 1 2 365.437 2.722 20 30 FFEDLO CC(=O)[C@@H]1C[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000124454497 508834250 /nfs/dbraw/zinc/83/42/50/508834250.db2.gz HJYFWYSVUOCMMB-VQTJNVASSA-N 1 2 367.493 2.844 20 30 FFEDLO CC(=O)[C@@H]1C[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000124454497 508834253 /nfs/dbraw/zinc/83/42/53/508834253.db2.gz HJYFWYSVUOCMMB-VQTJNVASSA-N 1 2 367.493 2.844 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000124673668 508867054 /nfs/dbraw/zinc/86/70/54/508867054.db2.gz SGMHAVYEZABRQB-CQSZACIVSA-N 1 2 368.403 2.588 20 30 FFEDLO CCS(=O)(=O)Nc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000159736658 508882174 /nfs/dbraw/zinc/88/21/74/508882174.db2.gz JXDUQRHIZADRBK-UHFFFAOYSA-N 1 2 355.423 2.580 20 30 FFEDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000159981219 508919705 /nfs/dbraw/zinc/91/97/05/508919705.db2.gz ZOXPIAJJALRKKR-HNNXBMFYSA-N 1 2 365.474 2.526 20 30 FFEDLO CCOC(=O)C[N@@H+]1CCCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000125452947 508985377 /nfs/dbraw/zinc/98/53/77/508985377.db2.gz GEDDIJJHLIWKRR-UHFFFAOYSA-N 1 2 355.360 2.652 20 30 FFEDLO CCOC(=O)C[N@H+]1CCCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000125452947 508985379 /nfs/dbraw/zinc/98/53/79/508985379.db2.gz GEDDIJJHLIWKRR-UHFFFAOYSA-N 1 2 355.360 2.652 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(Br)cc1 ZINC000155520623 509018765 /nfs/dbraw/zinc/01/87/65/509018765.db2.gz KQCHGSGLGCGAEC-CYBMUJFWSA-N 1 2 372.270 2.821 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(Br)cc1 ZINC000155520623 509018769 /nfs/dbraw/zinc/01/87/69/509018769.db2.gz KQCHGSGLGCGAEC-CYBMUJFWSA-N 1 2 372.270 2.821 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCCC1(C)C ZINC000410999423 512433188 /nfs/dbraw/zinc/43/31/88/512433188.db2.gz AOIZKVDPLNFSCT-KRWDZBQOSA-N 1 2 358.486 2.709 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCCC1(C)C ZINC000410999423 512433190 /nfs/dbraw/zinc/43/31/90/512433190.db2.gz AOIZKVDPLNFSCT-KRWDZBQOSA-N 1 2 358.486 2.709 20 30 FFEDLO C[NH+](C)[C@H](CNC(=O)CNc1cccc(C#N)c1)c1c(F)cccc1F ZINC000160884850 509043431 /nfs/dbraw/zinc/04/34/31/509043431.db2.gz PZSSXTIEQFYXQH-QGZVFWFLSA-N 1 2 358.392 2.667 20 30 FFEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000126074942 509060697 /nfs/dbraw/zinc/06/06/97/509060697.db2.gz SDXNBXGTRPVLGF-CYBMUJFWSA-N 1 2 350.831 2.851 20 30 FFEDLO N#Cc1cnc(N2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)cn1 ZINC000121053586 509119074 /nfs/dbraw/zinc/11/90/74/509119074.db2.gz QIQFGFOZTXWWAF-UHFFFAOYSA-N 1 2 362.462 2.794 20 30 FFEDLO C=CC[N@@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000121171608 509144002 /nfs/dbraw/zinc/14/40/02/509144002.db2.gz JYBRXMPPMXWSMB-UHFFFAOYSA-N 1 2 373.478 2.568 20 30 FFEDLO C=CC[N@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000121171608 509144007 /nfs/dbraw/zinc/14/40/07/509144007.db2.gz JYBRXMPPMXWSMB-UHFFFAOYSA-N 1 2 373.478 2.568 20 30 FFEDLO N#Cc1ccc(Br)c(CN2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000191795506 509184204 /nfs/dbraw/zinc/18/42/04/509184204.db2.gz MYSZRGCJRAWGHO-MRXNPFEDSA-N 1 2 364.287 2.617 20 30 FFEDLO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000162274032 509188208 /nfs/dbraw/zinc/18/82/08/509188208.db2.gz HMQUARQAAKVAAW-KXBFYZLASA-N 1 2 358.438 2.828 20 30 FFEDLO CCOC(=O)CC[C@@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000162274032 509188222 /nfs/dbraw/zinc/18/82/22/509188222.db2.gz HMQUARQAAKVAAW-KXBFYZLASA-N 1 2 358.438 2.828 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185518875 509218092 /nfs/dbraw/zinc/21/80/92/509218092.db2.gz NBZICUXERCSZHR-IBGZPJMESA-N 1 2 350.418 2.756 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000248226227 509261272 /nfs/dbraw/zinc/26/12/72/509261272.db2.gz JGKHAPUYZNHTSF-UHFFFAOYSA-N 1 2 355.935 2.944 20 30 FFEDLO CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000188811051 509274989 /nfs/dbraw/zinc/27/49/89/509274989.db2.gz PJUHJULPLDFQSE-OAHLLOKOSA-N 1 2 365.437 2.633 20 30 FFEDLO CCc1ccccc1C[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000188824639 509280657 /nfs/dbraw/zinc/28/06/57/509280657.db2.gz ZGMYYECRBJKNRQ-UHFFFAOYSA-N 1 2 369.490 2.627 20 30 FFEDLO CCc1ccc([C@@H]2C[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)CCO2)cc1 ZINC000248711863 509447769 /nfs/dbraw/zinc/44/77/69/509447769.db2.gz IYFHGTVLUVSWKN-IRLDBZIGSA-N 1 2 366.461 2.934 20 30 FFEDLO CCc1ccc([C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)CCO2)cc1 ZINC000248711863 509447777 /nfs/dbraw/zinc/44/77/77/509447777.db2.gz IYFHGTVLUVSWKN-IRLDBZIGSA-N 1 2 366.461 2.934 20 30 FFEDLO N#C[C@@H](C(=O)C[N@@H+]1CCCc2ccccc2C1)c1nc2ccccc2c(=O)[nH]1 ZINC000264430842 509524087 /nfs/dbraw/zinc/52/40/87/509524087.db2.gz OCYIWEHHHKIGAE-SFHVURJKSA-N 1 2 372.428 2.960 20 30 FFEDLO N#C[C@@H](C(=O)C[N@H+]1CCCc2ccccc2C1)c1nc2ccccc2c(=O)[nH]1 ZINC000264430842 509524092 /nfs/dbraw/zinc/52/40/92/509524092.db2.gz OCYIWEHHHKIGAE-SFHVURJKSA-N 1 2 372.428 2.960 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000267590711 509555860 /nfs/dbraw/zinc/55/58/60/509555860.db2.gz JBIGUWGFTXBJNV-DOTOQJQBSA-N 1 2 373.453 2.619 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000267590711 509555865 /nfs/dbraw/zinc/55/58/65/509555865.db2.gz JBIGUWGFTXBJNV-DOTOQJQBSA-N 1 2 373.453 2.619 20 30 FFEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000264525482 509581021 /nfs/dbraw/zinc/58/10/21/509581021.db2.gz BPGPWFRJHZBMEW-UHFFFAOYSA-N 1 2 353.397 2.686 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@H]1c1cccn1C ZINC000249417498 509676460 /nfs/dbraw/zinc/67/64/60/509676460.db2.gz ZVRPJTUTSVJHPM-QUCCMNQESA-N 1 2 356.466 2.567 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000249417498 509676463 /nfs/dbraw/zinc/67/64/63/509676463.db2.gz ZVRPJTUTSVJHPM-QUCCMNQESA-N 1 2 356.466 2.567 20 30 FFEDLO Cn1ncc2c1nc[nH+]c2S[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000180024354 509715728 /nfs/dbraw/zinc/71/57/28/509715728.db2.gz XTROUZHVQMUTOV-OAHLLOKOSA-N 1 2 364.434 2.523 20 30 FFEDLO C=CCN(CCOC)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000189716004 509717200 /nfs/dbraw/zinc/71/72/00/509717200.db2.gz KYNQGBLUNXJZHA-IRXDYDNUSA-N 1 2 353.413 2.554 20 30 FFEDLO C=CCN(CCOC)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000189716004 509717206 /nfs/dbraw/zinc/71/72/06/509717206.db2.gz KYNQGBLUNXJZHA-IRXDYDNUSA-N 1 2 353.413 2.554 20 30 FFEDLO CC(C)(C#N)c1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000176853730 509727176 /nfs/dbraw/zinc/72/71/76/509727176.db2.gz FXWVYOKUYAYYSB-UHFFFAOYSA-N 1 2 369.469 2.568 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000249707779 509738371 /nfs/dbraw/zinc/73/83/71/509738371.db2.gz BRNOXIDGHWILEC-LAUBAEHRSA-N 1 2 350.466 2.901 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000249707779 509738380 /nfs/dbraw/zinc/73/83/80/509738380.db2.gz BRNOXIDGHWILEC-LAUBAEHRSA-N 1 2 350.466 2.901 20 30 FFEDLO C=CC[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)[C@@H]1CCS(=O)(=O)C1 ZINC000186649159 509825983 /nfs/dbraw/zinc/82/59/83/509825983.db2.gz GXNKXSTXLKORMP-MRXNPFEDSA-N 1 2 351.468 2.507 20 30 FFEDLO C=CC[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)[C@@H]1CCS(=O)(=O)C1 ZINC000186649159 509825991 /nfs/dbraw/zinc/82/59/91/509825991.db2.gz GXNKXSTXLKORMP-MRXNPFEDSA-N 1 2 351.468 2.507 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000268276043 509846048 /nfs/dbraw/zinc/84/60/48/509846048.db2.gz IKZDJZGFAIZRSS-UHFFFAOYSA-N 1 2 354.429 2.961 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cn4ccnc4s3)CC2)cc1 ZINC000189975248 509863058 /nfs/dbraw/zinc/86/30/58/509863058.db2.gz TVJZQHGQSZGADQ-UHFFFAOYSA-N 1 2 365.462 2.616 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cn4ccnc4s3)CC2)cc1 ZINC000189975248 509863065 /nfs/dbraw/zinc/86/30/65/509863065.db2.gz TVJZQHGQSZGADQ-UHFFFAOYSA-N 1 2 365.462 2.616 20 30 FFEDLO COc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)n1 ZINC000268351700 509882872 /nfs/dbraw/zinc/88/28/72/509882872.db2.gz JEEHTPZIYYMLFP-UHFFFAOYSA-N 1 2 365.437 2.620 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000173972962 509883022 /nfs/dbraw/zinc/88/30/22/509883022.db2.gz WKDWADHAGPYNPS-JKSUJKDBSA-N 1 2 362.905 2.779 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000173972962 509883027 /nfs/dbraw/zinc/88/30/27/509883027.db2.gz WKDWADHAGPYNPS-JKSUJKDBSA-N 1 2 362.905 2.779 20 30 FFEDLO N#C[C@H](c1ccc(Br)cc1)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000193385905 509891145 /nfs/dbraw/zinc/89/11/45/509891145.db2.gz IXBRDIPIQMWJJN-MRXNPFEDSA-N 1 2 360.259 2.555 20 30 FFEDLO N#C[C@H](c1ccc(Br)cc1)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000193385905 509891153 /nfs/dbraw/zinc/89/11/53/509891153.db2.gz IXBRDIPIQMWJJN-MRXNPFEDSA-N 1 2 360.259 2.555 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000265206283 509919778 /nfs/dbraw/zinc/91/97/78/509919778.db2.gz QTIDUEQIOAVPSG-INIZCTEOSA-N 1 2 365.437 2.895 20 30 FFEDLO Cc1noc(C2CC[NH+](CC(=O)Nc3cc(Cl)ccc3C#N)CC2)n1 ZINC000193544536 509959250 /nfs/dbraw/zinc/95/92/50/509959250.db2.gz DEMCXLMAAVJMRR-UHFFFAOYSA-N 1 2 359.817 2.721 20 30 FFEDLO C[C@@H](O[NH+]=C(N)c1ccc(N2CCCCC2)nc1)c1nc(C2CC2)no1 ZINC000174127669 509959576 /nfs/dbraw/zinc/95/95/76/509959576.db2.gz WLXMMVUTJVZPRG-GFCCVEGCSA-N 1 2 356.430 2.730 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000186965473 509977523 /nfs/dbraw/zinc/97/75/23/509977523.db2.gz OAHGZRCTDHUDNV-QGZVFWFLSA-N 1 2 367.440 2.992 20 30 FFEDLO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000184009857 510085739 /nfs/dbraw/zinc/08/57/39/510085739.db2.gz KKRPKAIGAGXPOK-SFHVURJKSA-N 1 2 354.498 2.930 20 30 FFEDLO CC[C@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000184009857 510085744 /nfs/dbraw/zinc/08/57/44/510085744.db2.gz KKRPKAIGAGXPOK-SFHVURJKSA-N 1 2 354.498 2.930 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)Cc2ccc(C#N)cc2)c1C ZINC000265508711 510091577 /nfs/dbraw/zinc/09/15/77/510091577.db2.gz OOCBMQYCYUSZPC-UHFFFAOYSA-N 1 2 359.451 2.541 20 30 FFEDLO CCC[N@H+](Cc1ccc(C#N)cc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000180969868 510215857 /nfs/dbraw/zinc/21/58/57/510215857.db2.gz QZXXBGIZLJGNCE-CQSZACIVSA-N 1 2 371.300 2.720 20 30 FFEDLO CCC[N@@H+](Cc1ccc(C#N)cc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000180969868 510215865 /nfs/dbraw/zinc/21/58/65/510215865.db2.gz QZXXBGIZLJGNCE-CQSZACIVSA-N 1 2 371.300 2.720 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)c1 ZINC000269079217 510224694 /nfs/dbraw/zinc/22/46/94/510224694.db2.gz DJBHYSDGEDFHAS-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO C=C(C)[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000187373692 510227008 /nfs/dbraw/zinc/22/70/08/510227008.db2.gz POOPCDQUGACTBH-SUMWQHHRSA-N 1 2 353.413 2.602 20 30 FFEDLO C=CCNC(=O)C[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000181124678 510281201 /nfs/dbraw/zinc/28/12/01/510281201.db2.gz MROUEQVWMQZJBC-UHFFFAOYSA-N 1 2 358.467 2.528 20 30 FFEDLO C[C@@]([NH2+]Cc1ccc(C#N)cc1Br)(C(N)=O)c1ccccc1 ZINC000181162896 510289451 /nfs/dbraw/zinc/28/94/51/510289451.db2.gz DYTFHZOXGYJFGJ-KRWDZBQOSA-N 1 2 358.239 2.811 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000171748519 510345642 /nfs/dbraw/zinc/34/56/42/510345642.db2.gz KEXGHTLDBPDNCJ-CQSZACIVSA-N 1 2 363.401 2.803 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000171748519 510345649 /nfs/dbraw/zinc/34/56/49/510345649.db2.gz KEXGHTLDBPDNCJ-CQSZACIVSA-N 1 2 363.401 2.803 20 30 FFEDLO C#CCOc1cccc(NC(=O)c2ccccc2C[NH+]2CCOCC2)c1 ZINC000266088032 510402446 /nfs/dbraw/zinc/40/24/46/510402446.db2.gz CTMJULGBVLIKTE-UHFFFAOYSA-N 1 2 350.418 2.783 20 30 FFEDLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246291692 510409329 /nfs/dbraw/zinc/40/93/29/510409329.db2.gz BBAQPDUQKYGIPA-IVCQMTBJSA-N 1 2 373.503 2.594 20 30 FFEDLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246291692 510409334 /nfs/dbraw/zinc/40/93/34/510409334.db2.gz BBAQPDUQKYGIPA-IVCQMTBJSA-N 1 2 373.503 2.594 20 30 FFEDLO CCCc1noc(CO[NH+]=C(N)c2cc(Cl)c(OC)c(OC)c2)n1 ZINC000266279852 510495566 /nfs/dbraw/zinc/49/55/66/510495566.db2.gz IXGCOWRFMGVTEE-UHFFFAOYSA-N 1 2 354.794 2.530 20 30 FFEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000191130343 510517713 /nfs/dbraw/zinc/51/77/13/510517713.db2.gz OIRKPVNZALLAEY-UHFFFAOYSA-N 1 2 354.454 2.823 20 30 FFEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000191130343 510517718 /nfs/dbraw/zinc/51/77/18/510517718.db2.gz OIRKPVNZALLAEY-UHFFFAOYSA-N 1 2 354.454 2.823 20 30 FFEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269772526 510542329 /nfs/dbraw/zinc/54/23/29/510542329.db2.gz GISBJESQKUOVRF-UHFFFAOYSA-N 1 2 350.831 2.503 20 30 FFEDLO CCOC(=O)Nc1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)cc1C#N ZINC000269803543 510553406 /nfs/dbraw/zinc/55/34/06/510553406.db2.gz CFZJBHHXZFAKNK-UHFFFAOYSA-N 1 2 370.413 2.877 20 30 FFEDLO CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000194885763 510573886 /nfs/dbraw/zinc/57/38/86/510573886.db2.gz FRVHRQMCDPKLBY-CQSZACIVSA-N 1 2 352.394 2.929 20 30 FFEDLO Cc1ccc(C#N)cc1NC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000269890721 510586048 /nfs/dbraw/zinc/58/60/48/510586048.db2.gz BBZOSKDDRRKSTF-UHFFFAOYSA-N 1 2 357.483 2.898 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000246615101 510586468 /nfs/dbraw/zinc/58/64/68/510586468.db2.gz YKLWBOHIRGMESK-SJLPKXTDSA-N 1 2 371.481 2.647 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000246615101 510586471 /nfs/dbraw/zinc/58/64/71/510586471.db2.gz YKLWBOHIRGMESK-SJLPKXTDSA-N 1 2 371.481 2.647 20 30 FFEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)Nc3cccc(OCC#N)c3)CC2)S1 ZINC000269935633 510605987 /nfs/dbraw/zinc/60/59/87/510605987.db2.gz MEJATUQVDSCVSO-UHFFFAOYSA-N 1 2 373.482 2.620 20 30 FFEDLO C[C@H](C[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 ZINC000172333483 510675201 /nfs/dbraw/zinc/67/52/01/510675201.db2.gz IPFZIMNDXHGCHT-QGZVFWFLSA-N 1 2 369.490 2.668 20 30 FFEDLO CC#CCCCC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000185087082 510676976 /nfs/dbraw/zinc/67/69/76/510676976.db2.gz LNFYJLUHIAPYJF-IBGZPJMESA-N 1 2 355.438 2.837 20 30 FFEDLO CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000195415330 510818689 /nfs/dbraw/zinc/81/86/89/510818689.db2.gz SOSFLNIIIDDSHQ-HZPDHXFCSA-N 1 2 365.481 2.532 20 30 FFEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329908559 510874451 /nfs/dbraw/zinc/87/44/51/510874451.db2.gz LTYVYGQCRRBYKG-BIENJYKASA-N 1 2 368.424 2.732 20 30 FFEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329908559 510874456 /nfs/dbraw/zinc/87/44/56/510874456.db2.gz LTYVYGQCRRBYKG-BIENJYKASA-N 1 2 368.424 2.732 20 30 FFEDLO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329927163 510880297 /nfs/dbraw/zinc/88/02/97/510880297.db2.gz WTLWCVXJGUXYRI-VWKPWSFCSA-N 1 2 371.481 2.935 20 30 FFEDLO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329927163 510880304 /nfs/dbraw/zinc/88/03/04/510880304.db2.gz WTLWCVXJGUXYRI-VWKPWSFCSA-N 1 2 371.481 2.935 20 30 FFEDLO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000329951578 510886034 /nfs/dbraw/zinc/88/60/34/510886034.db2.gz MVRDYZVELNLFGP-XJNFMUPTSA-N 1 2 367.490 2.732 20 30 FFEDLO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000329951578 510886043 /nfs/dbraw/zinc/88/60/43/510886043.db2.gz MVRDYZVELNLFGP-XJNFMUPTSA-N 1 2 367.490 2.732 20 30 FFEDLO CC(=O)N1CCC[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)C1 ZINC000329957326 510887370 /nfs/dbraw/zinc/88/73/70/510887370.db2.gz QCQAYNYPXTUVGB-JYJNAYRXSA-N 1 2 367.490 2.876 20 30 FFEDLO CC(=O)N1CCC[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)C1 ZINC000329957326 510887378 /nfs/dbraw/zinc/88/73/78/510887378.db2.gz QCQAYNYPXTUVGB-JYJNAYRXSA-N 1 2 367.490 2.876 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000330075302 510911037 /nfs/dbraw/zinc/91/10/37/510911037.db2.gz LSXGFSLDVDIEOO-CRAIPNDOSA-N 1 2 353.470 2.907 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000330075302 510911042 /nfs/dbraw/zinc/91/10/42/510911042.db2.gz LSXGFSLDVDIEOO-CRAIPNDOSA-N 1 2 353.470 2.907 20 30 FFEDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000297402663 510932246 /nfs/dbraw/zinc/93/22/46/510932246.db2.gz KORLIXTWLIVGPI-UHFFFAOYSA-N 1 2 357.414 2.565 20 30 FFEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000297402663 510932251 /nfs/dbraw/zinc/93/22/51/510932251.db2.gz KORLIXTWLIVGPI-UHFFFAOYSA-N 1 2 357.414 2.565 20 30 FFEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@]1(c2ccccc2)CCCCC1=O ZINC000276486679 510940568 /nfs/dbraw/zinc/94/05/68/510940568.db2.gz UHABQYWTJOVZDX-RTWAWAEBSA-N 1 2 353.466 2.765 20 30 FFEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@]1(c2ccccc2)CCCCC1=O ZINC000276486679 510940573 /nfs/dbraw/zinc/94/05/73/510940573.db2.gz UHABQYWTJOVZDX-RTWAWAEBSA-N 1 2 353.466 2.765 20 30 FFEDLO Cc1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1N1CCNC1=O ZINC000330230164 510942429 /nfs/dbraw/zinc/94/24/29/510942429.db2.gz WHCBYTYVMHSQNI-UHFFFAOYSA-N 1 2 368.441 2.877 20 30 FFEDLO Cc1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1N1CCNC1=O ZINC000330230164 510942436 /nfs/dbraw/zinc/94/24/36/510942436.db2.gz WHCBYTYVMHSQNI-UHFFFAOYSA-N 1 2 368.441 2.877 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N=c2ccn(CCC#N)[nH]2)c1 ZINC000364566508 510944597 /nfs/dbraw/zinc/94/45/97/510944597.db2.gz WZTCXKFGDUANLK-SFHVURJKSA-N 1 2 351.454 2.520 20 30 FFEDLO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N=c2ccn(CCC#N)[nH]2)c1 ZINC000364566508 510944601 /nfs/dbraw/zinc/94/46/01/510944601.db2.gz WZTCXKFGDUANLK-SFHVURJKSA-N 1 2 351.454 2.520 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H](COC)[C@@H]1CCCO1 ZINC000330267160 510951853 /nfs/dbraw/zinc/95/18/53/510951853.db2.gz HZAWZJMZGJWUKG-PMPSAXMXSA-N 1 2 350.463 2.538 20 30 FFEDLO CC[C@@]1(O)CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000330325925 510964547 /nfs/dbraw/zinc/96/45/47/510964547.db2.gz UXGORTDTVFONIJ-SUMWQHHRSA-N 1 2 352.504 2.767 20 30 FFEDLO CC[C@@]1(O)CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000330325925 510964550 /nfs/dbraw/zinc/96/45/50/510964550.db2.gz UXGORTDTVFONIJ-SUMWQHHRSA-N 1 2 352.504 2.767 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)cc1OCCCC#N ZINC000277744197 510970957 /nfs/dbraw/zinc/97/09/57/510970957.db2.gz UPJWDFBMBUOTTH-IZHWHUGBSA-N 1 2 350.484 2.721 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H](C)[S@](=O)CC2)cc1OCCCC#N ZINC000277744197 510970960 /nfs/dbraw/zinc/97/09/60/510970960.db2.gz UPJWDFBMBUOTTH-IZHWHUGBSA-N 1 2 350.484 2.721 20 30 FFEDLO CCN1CCN(C(=O)Nc2cccc(N3CCCC3)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330349376 510971413 /nfs/dbraw/zinc/97/14/13/510971413.db2.gz JUZGMVVBMDSPRM-GOSISDBHSA-N 1 2 368.485 2.934 20 30 FFEDLO COc1cc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)ccc1C#N ZINC000282467837 510990292 /nfs/dbraw/zinc/99/02/92/510990292.db2.gz WAJHEHZWJJIQDQ-SJORKVTESA-N 1 2 358.463 2.953 20 30 FFEDLO COc1cc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)ccc1C#N ZINC000282467837 510990298 /nfs/dbraw/zinc/99/02/98/510990298.db2.gz WAJHEHZWJJIQDQ-SJORKVTESA-N 1 2 358.463 2.953 20 30 FFEDLO N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282478165 510993627 /nfs/dbraw/zinc/99/36/27/510993627.db2.gz XISJCDFUXGGRAL-MRXNPFEDSA-N 1 2 370.478 2.659 20 30 FFEDLO CC(C)c1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000278690771 511002909 /nfs/dbraw/zinc/00/29/09/511002909.db2.gz SGDKJTIVRWTNHT-SJLPKXTDSA-N 1 2 361.511 2.809 20 30 FFEDLO C[C@H](CNC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)[NH+]1CCOCC1 ZINC000330630193 511003323 /nfs/dbraw/zinc/00/33/23/511003323.db2.gz CIZIEQIZRXVASN-CQSZACIVSA-N 1 2 365.522 2.982 20 30 FFEDLO C#CC[C@]1(C(=O)N(C)CCCn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000278879084 511012196 /nfs/dbraw/zinc/01/21/96/511012196.db2.gz NQOPREKZVVPWCU-HXUWFJFHSA-N 1 2 374.485 2.525 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000286431699 511024607 /nfs/dbraw/zinc/02/46/07/511024607.db2.gz BRBFRORLJHTOAX-OAQYLSRUSA-N 1 2 362.473 2.883 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(Br)c(F)c1 ZINC000331240442 511053514 /nfs/dbraw/zinc/05/35/14/511053514.db2.gz JHIGVFLJTWRXGB-SNVBAGLBSA-N 1 2 360.227 2.635 20 30 FFEDLO C#CCC(CC#C)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000287713825 511055728 /nfs/dbraw/zinc/05/57/28/511055728.db2.gz GNAPTEYEHGLIRH-UHFFFAOYSA-N 1 2 358.239 2.684 20 30 FFEDLO COCC[N@H+](Cc1c(C)nc2sc(C)nn21)Cc1ccc(C#N)cc1 ZINC000271075100 511075894 /nfs/dbraw/zinc/07/58/94/511075894.db2.gz QVWMRQUGZCPOIE-UHFFFAOYSA-N 1 2 355.467 2.928 20 30 FFEDLO COCC[N@@H+](Cc1c(C)nc2sc(C)nn21)Cc1ccc(C#N)cc1 ZINC000271075100 511075898 /nfs/dbraw/zinc/07/58/98/511075898.db2.gz QVWMRQUGZCPOIE-UHFFFAOYSA-N 1 2 355.467 2.928 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)n1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000364791646 511084465 /nfs/dbraw/zinc/08/44/65/511084465.db2.gz QZGQCFNXNTXARE-UZLBHIALSA-N 1 2 374.448 2.728 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)n1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000364791646 511084467 /nfs/dbraw/zinc/08/44/67/511084467.db2.gz QZGQCFNXNTXARE-UZLBHIALSA-N 1 2 374.448 2.728 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000289042737 511091913 /nfs/dbraw/zinc/09/19/13/511091913.db2.gz PUTTUHMCZSBZCS-HNNXBMFYSA-N 1 2 355.438 2.591 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000289042737 511091918 /nfs/dbraw/zinc/09/19/18/511091918.db2.gz PUTTUHMCZSBZCS-HNNXBMFYSA-N 1 2 355.438 2.591 20 30 FFEDLO C=CCOCCCC(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000271286961 511151110 /nfs/dbraw/zinc/15/11/10/511151110.db2.gz LMIVYITVBSPWSA-UHFFFAOYSA-N 1 2 353.466 2.993 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C/c1cc2ccccc2o1 ZINC000291378327 511174268 /nfs/dbraw/zinc/17/42/68/511174268.db2.gz RIFKBPVZABUANA-VOTSOKGWSA-N 1 2 353.422 2.520 20 30 FFEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000298169410 511196737 /nfs/dbraw/zinc/19/67/37/511196737.db2.gz CEQVAFJKAGIEOE-HKUYNNGSSA-N 1 2 366.465 2.507 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](CO)c3c(F)cccc3F)C2=O)cc1 ZINC000365110665 511263190 /nfs/dbraw/zinc/26/31/90/511263190.db2.gz QBOMAWMCNCVWNP-MSOLQXFVSA-N 1 2 371.387 2.655 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000362901043 511266361 /nfs/dbraw/zinc/26/63/61/511266361.db2.gz HZGXHUCXIQPFAF-CABCVRRESA-N 1 2 370.453 2.985 20 30 FFEDLO N#CCc1ccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000298476455 511297807 /nfs/dbraw/zinc/29/78/07/511297807.db2.gz UDYHFCKYZRITTN-FQEVSTJZSA-N 1 2 364.449 2.775 20 30 FFEDLO N#CCc1ccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000298476455 511297815 /nfs/dbraw/zinc/29/78/15/511297815.db2.gz UDYHFCKYZRITTN-FQEVSTJZSA-N 1 2 364.449 2.775 20 30 FFEDLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000280099822 511335694 /nfs/dbraw/zinc/33/56/94/511335694.db2.gz ZXPORPNPJPBMQC-QFBILLFUSA-N 1 2 353.466 2.598 20 30 FFEDLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000280099822 511335699 /nfs/dbraw/zinc/33/56/99/511335699.db2.gz ZXPORPNPJPBMQC-QFBILLFUSA-N 1 2 353.466 2.598 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1(C)C ZINC000295349650 511372772 /nfs/dbraw/zinc/37/27/72/511372772.db2.gz RFIHZVRNPVGGEN-CQSZACIVSA-N 1 2 364.858 2.717 20 30 FFEDLO N#Cc1ccc(CS(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000298835122 511425346 /nfs/dbraw/zinc/42/53/46/511425346.db2.gz CHQIHPJXWRNEOS-UHFFFAOYSA-N 1 2 370.478 2.563 20 30 FFEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccccc2C(=O)NC2CCCC2)CC1 ZINC000272567324 511500008 /nfs/dbraw/zinc/50/00/08/511500008.db2.gz MNZHHWHZCJEPPT-UHFFFAOYSA-N 1 2 368.481 2.923 20 30 FFEDLO C[C@H]1CN(c2ccc(NC(=O)C[NH+]3CCC(C)(C#N)CC3)cc2)C[C@H](C)O1 ZINC000272592673 511501703 /nfs/dbraw/zinc/50/17/03/511501703.db2.gz PQHRWZOILXJATC-IRXDYDNUSA-N 1 2 370.497 2.864 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC(C)(C#N)CC1)c1cccc(F)c1 ZINC000272672832 511503842 /nfs/dbraw/zinc/50/38/42/511503842.db2.gz QAOSXTLQDUORCG-MRXNPFEDSA-N 1 2 355.417 2.984 20 30 FFEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3cccc(C#N)c3)CCCC2)no1 ZINC000299205691 511551090 /nfs/dbraw/zinc/55/10/90/511551090.db2.gz ZJQDYBCQNLXWGH-UHFFFAOYSA-N 1 2 367.453 2.982 20 30 FFEDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)s1 ZINC000273722528 511587924 /nfs/dbraw/zinc/58/79/24/511587924.db2.gz SAVXPBPVRLDSIX-NEPJUHHUSA-N 1 2 361.446 2.972 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273757586 511598810 /nfs/dbraw/zinc/59/88/10/511598810.db2.gz XVGBQGZOHOBWCW-STQMWFEESA-N 1 2 373.482 2.841 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000299342728 511599474 /nfs/dbraw/zinc/59/94/74/511599474.db2.gz UIODRHZQCXGXTR-RDTXWAMCSA-N 1 2 373.453 2.624 20 30 FFEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(O)(Cc3ccccc3F)CC2)cc1 ZINC000365840271 511680973 /nfs/dbraw/zinc/68/09/73/511680973.db2.gz VFOQYCSOYUJRNX-UHFFFAOYSA-N 1 2 367.424 2.705 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281043454 511698771 /nfs/dbraw/zinc/69/87/71/511698771.db2.gz XJBSUJFDSFAXRB-LAUBAEHRSA-N 1 2 373.460 2.541 20 30 FFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C2 ZINC000281067009 511707894 /nfs/dbraw/zinc/70/78/94/511707894.db2.gz ZOLLLKCPMMGVJK-KRWDZBQOSA-N 1 2 361.449 2.682 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000302836126 511717110 /nfs/dbraw/zinc/71/71/10/511717110.db2.gz DVDDSPDTMXVIDZ-UHFFFAOYSA-N 1 2 358.511 2.843 20 30 FFEDLO CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)C(=O)Nc1ccccc1 ZINC000303177561 511728959 /nfs/dbraw/zinc/72/89/59/511728959.db2.gz WQPLAIWXOIPGMK-UZLBHIALSA-N 1 2 358.486 2.780 20 30 FFEDLO CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)C(=O)Nc1ccccc1 ZINC000303177561 511728962 /nfs/dbraw/zinc/72/89/62/511728962.db2.gz WQPLAIWXOIPGMK-UZLBHIALSA-N 1 2 358.486 2.780 20 30 FFEDLO N#CC1(CCCO[NH+]=C(N)COc2cc(F)cc(F)c2)CCOCC1 ZINC000281235268 511770839 /nfs/dbraw/zinc/77/08/39/511770839.db2.gz FRTUHKAUKAMKJI-UHFFFAOYSA-N 1 2 353.369 2.733 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1(C#N)CCSCC1 ZINC000281298101 511795743 /nfs/dbraw/zinc/79/57/43/511795743.db2.gz SXIXUHZPHBZVJD-UHFFFAOYSA-N 1 2 350.394 2.529 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2coc(-c3ccc(OCC)cc3)n2)C1=O ZINC000281370278 511821161 /nfs/dbraw/zinc/82/11/61/511821161.db2.gz OLDWBVFRDUQJGE-SFHVURJKSA-N 1 2 355.438 2.959 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2coc(-c3ccc(OCC)cc3)n2)C1=O ZINC000281370278 511821164 /nfs/dbraw/zinc/82/11/64/511821164.db2.gz OLDWBVFRDUQJGE-SFHVURJKSA-N 1 2 355.438 2.959 20 30 FFEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000293123281 511849213 /nfs/dbraw/zinc/84/92/13/511849213.db2.gz PKGCMROVOGBLPK-QWHCGFSZSA-N 1 2 373.931 2.790 20 30 FFEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000293123281 511849220 /nfs/dbraw/zinc/84/92/20/511849220.db2.gz PKGCMROVOGBLPK-QWHCGFSZSA-N 1 2 373.931 2.790 20 30 FFEDLO Cn1cc2c(n1)CCC[C@H]2NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000328695596 511916456 /nfs/dbraw/zinc/91/64/56/511916456.db2.gz TWHDRPUYRDDXNI-GOSISDBHSA-N 1 2 354.454 2.635 20 30 FFEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1)C(C)C ZINC000281671132 511926368 /nfs/dbraw/zinc/92/63/68/511926368.db2.gz ZHVCLHSBMLZRTF-KRWDZBQOSA-N 1 2 351.406 2.895 20 30 FFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)CCNC(=O)C2CCCCC2)CC1 ZINC000328805565 511934211 /nfs/dbraw/zinc/93/42/11/511934211.db2.gz LSPSANLIUWGMLT-UHFFFAOYSA-N 1 2 358.486 2.966 20 30 FFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000328821103 511935702 /nfs/dbraw/zinc/93/57/02/511935702.db2.gz HRYSAQLIIUTHOS-YUTCNCBUSA-N 1 2 372.391 2.749 20 30 FFEDLO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000328867025 511942162 /nfs/dbraw/zinc/94/21/62/511942162.db2.gz GVYOLBICWISAND-MUGJNUQGSA-N 1 2 373.497 2.534 20 30 FFEDLO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000328867025 511942169 /nfs/dbraw/zinc/94/21/69/511942169.db2.gz GVYOLBICWISAND-MUGJNUQGSA-N 1 2 373.497 2.534 20 30 FFEDLO Cc1ccc([C@H](CN2CCOCC2)NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000328911428 511949319 /nfs/dbraw/zinc/94/93/19/511949319.db2.gz GIGCAHHBXGMEFI-ICSRJNTNSA-N 1 2 368.481 2.784 20 30 FFEDLO C[C@@H]1CN(c2ccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)cn2)C[C@H](C)O1 ZINC000328912960 511949366 /nfs/dbraw/zinc/94/93/66/511949366.db2.gz HSDQMKGYWHZJMU-ZNMIVQPWSA-N 1 2 355.442 2.742 20 30 FFEDLO CN(C)c1cc(C#N)cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000293403184 511952298 /nfs/dbraw/zinc/95/22/98/511952298.db2.gz SIAOCRNJZJJOTE-DOTOQJQBSA-N 1 2 353.426 2.600 20 30 FFEDLO CN(C)c1cc(C#N)cc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000293403184 511952303 /nfs/dbraw/zinc/95/23/03/511952303.db2.gz SIAOCRNJZJJOTE-DOTOQJQBSA-N 1 2 353.426 2.600 20 30 FFEDLO Cc1ccc(CC(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)cn1 ZINC000328987108 511961530 /nfs/dbraw/zinc/96/15/30/511961530.db2.gz DRFWVRZJQRXUIO-OXQOHEQNSA-N 1 2 367.453 2.517 20 30 FFEDLO CC[C@@H]1C[C@H](C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)CCO1 ZINC000329015163 511968075 /nfs/dbraw/zinc/96/80/75/511968075.db2.gz JSGCWYDQCQRUHL-NVQRDWNXSA-N 1 2 374.485 2.776 20 30 FFEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3nnc(C(C)(C)C)s3)C2)n1 ZINC000329015317 511968205 /nfs/dbraw/zinc/96/82/05/511968205.db2.gz GCAKPBBUPSUXKQ-SNVBAGLBSA-N 1 2 350.448 2.605 20 30 FFEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3nnc(C(C)(C)C)s3)C2)n1 ZINC000329015317 511968211 /nfs/dbraw/zinc/96/82/11/511968211.db2.gz GCAKPBBUPSUXKQ-SNVBAGLBSA-N 1 2 350.448 2.605 20 30 FFEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000329025969 511969379 /nfs/dbraw/zinc/96/93/79/511969379.db2.gz JQUYWVHIEOWMEI-JTQLQIEISA-N 1 2 366.219 2.613 20 30 FFEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000329025969 511969383 /nfs/dbraw/zinc/96/93/83/511969383.db2.gz JQUYWVHIEOWMEI-JTQLQIEISA-N 1 2 366.219 2.613 20 30 FFEDLO COc1ccccc1[C@H](NC(=O)c1cc(C#N)cs1)c1[nH+]ccn1C ZINC000364128229 511972937 /nfs/dbraw/zinc/97/29/37/511972937.db2.gz QDXXKIZZNQCKKZ-INIZCTEOSA-N 1 2 352.419 2.881 20 30 FFEDLO CN1CC[N@H+](Cc2cn3ccccc3c2C#N)C[C@H]1c1nc(C2CC2)no1 ZINC000285031097 511975152 /nfs/dbraw/zinc/97/51/52/511975152.db2.gz VMXAPAJIHUTHCH-SFHVURJKSA-N 1 2 362.437 2.560 20 30 FFEDLO CN1CC[N@@H+](Cc2cn3ccccc3c2C#N)C[C@H]1c1nc(C2CC2)no1 ZINC000285031097 511975158 /nfs/dbraw/zinc/97/51/58/511975158.db2.gz VMXAPAJIHUTHCH-SFHVURJKSA-N 1 2 362.437 2.560 20 30 FFEDLO CCn1ccnc1[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCOCC1 ZINC000329063254 511976084 /nfs/dbraw/zinc/97/60/84/511976084.db2.gz OCQJTZGDLZHIKA-NVXWUHKLSA-N 1 2 357.458 2.786 20 30 FFEDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC(Cc2cccnc2)CC1 ZINC000329117777 511986082 /nfs/dbraw/zinc/98/60/82/511986082.db2.gz OAQXXESZRXYKEC-IBGZPJMESA-N 1 2 365.481 2.924 20 30 FFEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC000329241021 512011742 /nfs/dbraw/zinc/01/17/42/512011742.db2.gz RJOYQGVEXWQUGO-NPNMTCQASA-N 1 2 373.501 2.507 20 30 FFEDLO CC(C)n1ncc2c1C[C@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)CC2 ZINC000329297790 512022717 /nfs/dbraw/zinc/02/27/17/512022717.db2.gz UETYYTPDUAFFHY-VQIMIIECSA-N 1 2 360.502 2.921 20 30 FFEDLO CC(C)n1ncc2c1C[C@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)CC2 ZINC000329297790 512022721 /nfs/dbraw/zinc/02/27/21/512022721.db2.gz UETYYTPDUAFFHY-VQIMIIECSA-N 1 2 360.502 2.921 20 30 FFEDLO C[C@@H]1COc2ccccc2CN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000329419975 512043692 /nfs/dbraw/zinc/04/36/92/512043692.db2.gz DHOMKZCRWLFDEX-NVXWUHKLSA-N 1 2 352.438 2.857 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCO[C@H](C(C)(C)C)C1)C1CCOCC1 ZINC000329474982 512054123 /nfs/dbraw/zinc/05/41/23/512054123.db2.gz NOYXAWVNLXBNKN-JKSUJKDBSA-N 1 2 364.490 2.549 20 30 FFEDLO C[C@@H]1C[C@@H](CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000329615323 512077316 /nfs/dbraw/zinc/07/73/16/512077316.db2.gz DEDDEKNZBNHYNH-MSOLQXFVSA-N 1 2 370.497 2.795 20 30 FFEDLO CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329618584 512077733 /nfs/dbraw/zinc/07/77/33/512077733.db2.gz QNVCEKOSDVFDRQ-BXUZGUMPSA-N 1 2 350.488 2.561 20 30 FFEDLO CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329618584 512077737 /nfs/dbraw/zinc/07/77/37/512077737.db2.gz QNVCEKOSDVFDRQ-BXUZGUMPSA-N 1 2 350.488 2.561 20 30 FFEDLO CCn1cc(Br)c(=O)c(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)c1 ZINC000329674026 512085588 /nfs/dbraw/zinc/08/55/88/512085588.db2.gz OIXJKYAFGPECII-CYBMUJFWSA-N 1 2 354.248 2.846 20 30 FFEDLO CCn1cc(Br)c(=O)c(NC(=O)[C@H]2CCC[N@H+]2C2CC2)c1 ZINC000329674026 512085591 /nfs/dbraw/zinc/08/55/91/512085591.db2.gz OIXJKYAFGPECII-CYBMUJFWSA-N 1 2 354.248 2.846 20 30 FFEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Br)C[C@@]2(CCOC2)O1 ZINC000366567479 512088201 /nfs/dbraw/zinc/08/82/01/512088201.db2.gz JCXLUGBAPVGUKF-BLLLJJGKSA-N 1 2 351.244 2.701 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)C[C@@]2(CCOC2)O1 ZINC000366567479 512088204 /nfs/dbraw/zinc/08/82/04/512088204.db2.gz JCXLUGBAPVGUKF-BLLLJJGKSA-N 1 2 351.244 2.701 20 30 FFEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000329727798 512091237 /nfs/dbraw/zinc/09/12/37/512091237.db2.gz OWWMCNOYSMWPDF-LBPRGKRZSA-N 1 2 353.401 2.860 20 30 FFEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000329727798 512091239 /nfs/dbraw/zinc/09/12/39/512091239.db2.gz OWWMCNOYSMWPDF-LBPRGKRZSA-N 1 2 353.401 2.860 20 30 FFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H](C)NC(=O)C2CCCCC2)CC1 ZINC000329823060 512101977 /nfs/dbraw/zinc/10/19/77/512101977.db2.gz HJINOGDKMXKOKE-MRXNPFEDSA-N 1 2 358.486 2.964 20 30 FFEDLO Cc1ccn(C)c(=O)c1NC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329873239 512104856 /nfs/dbraw/zinc/10/48/56/512104856.db2.gz DRPYFUJENCZRMJ-CYBMUJFWSA-N 1 2 357.458 2.529 20 30 FFEDLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000375792465 512508850 /nfs/dbraw/zinc/50/88/50/512508850.db2.gz QJLZONIQGVTMNV-MRXNPFEDSA-N 1 2 369.425 2.661 20 30 FFEDLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000375792465 512508852 /nfs/dbraw/zinc/50/88/52/512508852.db2.gz QJLZONIQGVTMNV-MRXNPFEDSA-N 1 2 369.425 2.661 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1C ZINC000375798999 512513267 /nfs/dbraw/zinc/51/32/67/512513267.db2.gz XYMRXFUXHJAQNC-UHFFFAOYSA-N 1 2 367.497 2.891 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000373823562 512523092 /nfs/dbraw/zinc/52/30/92/512523092.db2.gz OHTIARGIRCZCGI-QZTJIDSGSA-N 1 2 373.840 2.915 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000373823562 512523096 /nfs/dbraw/zinc/52/30/96/512523096.db2.gz OHTIARGIRCZCGI-QZTJIDSGSA-N 1 2 373.840 2.915 20 30 FFEDLO N#Cc1ccc(N2CCC(Nc3ccc(N4CCOCC4)c[nH+]3)CC2)cc1 ZINC000367598115 512577429 /nfs/dbraw/zinc/57/74/29/512577429.db2.gz VIKSJAOWSIYEKL-UHFFFAOYSA-N 1 2 363.465 2.871 20 30 FFEDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C[C@H](C)O2 ZINC000374013381 512620904 /nfs/dbraw/zinc/62/09/04/512620904.db2.gz HQJPWLSUSFQZGF-SIFCLUCFSA-N 1 2 368.437 2.767 20 30 FFEDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C[C@H](C)O2 ZINC000374013381 512620909 /nfs/dbraw/zinc/62/09/09/512620909.db2.gz HQJPWLSUSFQZGF-SIFCLUCFSA-N 1 2 368.437 2.767 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374013383 512621893 /nfs/dbraw/zinc/62/18/93/512621893.db2.gz HQJPWLSUSFQZGF-STXHMFSFSA-N 1 2 368.437 2.767 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374013383 512621901 /nfs/dbraw/zinc/62/19/01/512621901.db2.gz HQJPWLSUSFQZGF-STXHMFSFSA-N 1 2 368.437 2.767 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000383075075 512880151 /nfs/dbraw/zinc/88/01/51/512880151.db2.gz UGTWEVSRQWWAJM-QGZVFWFLSA-N 1 2 369.490 2.762 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000383075075 512880157 /nfs/dbraw/zinc/88/01/57/512880157.db2.gz UGTWEVSRQWWAJM-QGZVFWFLSA-N 1 2 369.490 2.762 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)C1=O ZINC000368530403 512989726 /nfs/dbraw/zinc/98/97/26/512989726.db2.gz MAANWEQSJWPMNL-PMPSAXMXSA-N 1 2 361.511 2.519 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)C1=O ZINC000368530403 512989730 /nfs/dbraw/zinc/98/97/30/512989730.db2.gz MAANWEQSJWPMNL-PMPSAXMXSA-N 1 2 361.511 2.519 20 30 FFEDLO C[C@@H]1CC(=O)CC[C@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374896066 513060418 /nfs/dbraw/zinc/06/04/18/513060418.db2.gz OCGBYMDMZCHEHQ-VQIMIIECSA-N 1 2 353.466 2.666 20 30 FFEDLO CN(C)C(=O)c1ccccc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000417703074 513173020 /nfs/dbraw/zinc/17/30/20/513173020.db2.gz QGJHZBFWIGRYHC-NRFANRHFSA-N 1 2 362.477 2.771 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000428871586 513212912 /nfs/dbraw/zinc/21/29/12/513212912.db2.gz JJCMJYLYUKVKJW-UHFFFAOYSA-N 1 2 353.397 2.969 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000428871586 513212921 /nfs/dbraw/zinc/21/29/21/513212921.db2.gz JJCMJYLYUKVKJW-UHFFFAOYSA-N 1 2 353.397 2.969 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@]2(C#N)C[C@H]2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000450529311 513238032 /nfs/dbraw/zinc/23/80/32/513238032.db2.gz UCSARXMDJKFBTF-FQVJQEGCSA-N 1 2 351.372 2.905 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)[C@]2(C#N)C[C@H]2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000450529311 513238036 /nfs/dbraw/zinc/23/80/36/513238036.db2.gz UCSARXMDJKFBTF-FQVJQEGCSA-N 1 2 351.372 2.905 20 30 FFEDLO C=C(C)[C@@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000434369269 513303845 /nfs/dbraw/zinc/30/38/45/513303845.db2.gz ZXESKOIICSLBEW-KBXCAEBGSA-N 1 2 367.440 2.944 20 30 FFEDLO CC(C)([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1cc(C(F)(F)F)on1 ZINC000429255811 513317205 /nfs/dbraw/zinc/31/72/05/513317205.db2.gz UKQOXDUNZAFRSZ-UHFFFAOYSA-N 1 2 366.343 2.706 20 30 FFEDLO C=CC[N@@H+](Cc1ncnn1C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000434540033 513351173 /nfs/dbraw/zinc/35/11/73/513351173.db2.gz KOFYFNAXTIPBHV-OAHLLOKOSA-N 1 2 352.446 2.584 20 30 FFEDLO C=CC[N@H+](Cc1ncnn1C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000434540033 513351180 /nfs/dbraw/zinc/35/11/80/513351180.db2.gz KOFYFNAXTIPBHV-OAHLLOKOSA-N 1 2 352.446 2.584 20 30 FFEDLO CC1CCC(N(C)C(=O)C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)CC1 ZINC000440615786 513364031 /nfs/dbraw/zinc/36/40/31/513364031.db2.gz CMXZMSNGNANSSA-DQVLVPHSSA-N 1 2 368.525 2.906 20 30 FFEDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000440627718 513366504 /nfs/dbraw/zinc/36/65/04/513366504.db2.gz QZAASDQCTYQLAS-HMXCVIKNSA-N 1 2 368.525 2.906 20 30 FFEDLO CCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2cc(C)[nH+]cc2C#N)cc1 ZINC000425204212 513451200 /nfs/dbraw/zinc/45/12/00/513451200.db2.gz TYSICLLXNKGODN-HNNXBMFYSA-N 1 2 372.494 2.887 20 30 FFEDLO Cc1cc(N(C)CCCOc2ccc(S(C)(=O)=O)cc2)c(C#N)c[nH+]1 ZINC000425214357 513456409 /nfs/dbraw/zinc/45/64/09/513456409.db2.gz JEIDNRZJVOUNFM-UHFFFAOYSA-N 1 2 359.451 2.571 20 30 FFEDLO Cc1cc(NC[C@H](O)COc2ccc(C(F)(F)F)cc2)c(C#N)c[nH+]1 ZINC000425216279 513456775 /nfs/dbraw/zinc/45/67/75/513456775.db2.gz QFNKTVSWNHNCNT-AWEZNQCLSA-N 1 2 351.328 2.554 20 30 FFEDLO NC(=O)c1ccc(N2CC[NH+](CC#Cc3ccccc3Cl)CC2)cc1 ZINC000441144673 513499043 /nfs/dbraw/zinc/49/90/43/513499043.db2.gz JXMCZJFTPQQZPL-UHFFFAOYSA-N 1 2 353.853 2.613 20 30 FFEDLO CC(C)(C)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)C1=O ZINC000425469458 513582386 /nfs/dbraw/zinc/58/23/86/513582386.db2.gz DYPBNNAYIAXODL-QGZVFWFLSA-N 1 2 360.889 2.733 20 30 FFEDLO C[C@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)[C@@H]1C(=O)OC(C)(C)C ZINC000425511408 513610815 /nfs/dbraw/zinc/61/08/15/513610815.db2.gz CXNKDHFZDKWPMK-KXBFYZLASA-N 1 2 371.481 2.617 20 30 FFEDLO C[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)[C@@H]1C(=O)OC(C)(C)C ZINC000425511408 513610822 /nfs/dbraw/zinc/61/08/22/513610822.db2.gz CXNKDHFZDKWPMK-KXBFYZLASA-N 1 2 371.481 2.617 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1ccccn1 ZINC000451370311 513706961 /nfs/dbraw/zinc/70/69/61/513706961.db2.gz CCCUKILUNUWNNO-INIZCTEOSA-N 1 2 352.438 2.857 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1ccccn1 ZINC000451370311 513706965 /nfs/dbraw/zinc/70/69/65/513706965.db2.gz CCCUKILUNUWNNO-INIZCTEOSA-N 1 2 352.438 2.857 20 30 FFEDLO N#Cc1cnc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(Cl)c1 ZINC000435931864 513719532 /nfs/dbraw/zinc/71/95/32/513719532.db2.gz AGUXCYFIRHPIGZ-UHFFFAOYSA-N 1 2 355.829 2.922 20 30 FFEDLO COc1ccc([C@H]([NH2+]CC(=O)NCC#N)c2ccccc2Cl)c(OC)c1 ZINC000425964088 513807670 /nfs/dbraw/zinc/80/76/70/513807670.db2.gz CJJJDPCPZGGZBN-LJQANCHMSA-N 1 2 373.840 2.676 20 30 FFEDLO C[N@@H+]1CCc2nc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)sc2C1 ZINC000436434204 513854373 /nfs/dbraw/zinc/85/43/73/513854373.db2.gz WIEBDWDUDLPSCE-UHFFFAOYSA-N 1 2 365.418 2.910 20 30 FFEDLO C[N@H+]1CCc2nc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)sc2C1 ZINC000436434204 513854379 /nfs/dbraw/zinc/85/43/79/513854379.db2.gz WIEBDWDUDLPSCE-UHFFFAOYSA-N 1 2 365.418 2.910 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(O)(C(F)F)CC2)c1C ZINC000426481801 513954185 /nfs/dbraw/zinc/95/41/85/513954185.db2.gz ILFPGSXXSLYLDG-UHFFFAOYSA-N 1 2 365.424 2.642 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000448903805 513963091 /nfs/dbraw/zinc/96/30/91/513963091.db2.gz JVFLTQHLBGXOCZ-QAPCUYQASA-N 1 2 365.437 2.853 20 30 FFEDLO CCC(=O)c1cc(Br)ccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414160783 513993575 /nfs/dbraw/zinc/99/35/75/513993575.db2.gz JKWWQQCXWXOSDB-ZDUSSCGKSA-N 1 2 369.259 2.627 20 30 FFEDLO CCC(=O)c1cc(Br)ccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414160783 513993582 /nfs/dbraw/zinc/99/35/82/513993582.db2.gz JKWWQQCXWXOSDB-ZDUSSCGKSA-N 1 2 369.259 2.627 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(F)c1Br ZINC000448988260 514009747 /nfs/dbraw/zinc/00/97/47/514009747.db2.gz AOQWWEGXZKOABU-UHFFFAOYSA-N 1 2 370.266 2.636 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000451928747 514078209 /nfs/dbraw/zinc/07/82/09/514078209.db2.gz MJSIJBDJMXMFGV-SNVBAGLBSA-N 1 2 372.372 2.833 20 30 FFEDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cnc(C)c(C#N)c3)c2C1 ZINC000427200056 514148650 /nfs/dbraw/zinc/14/86/50/514148650.db2.gz NEOMCZZKXPMKOB-UHFFFAOYSA-N 1 2 356.451 2.788 20 30 FFEDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cnc(C)c(C#N)c3)c2C1 ZINC000427200056 514148653 /nfs/dbraw/zinc/14/86/53/514148653.db2.gz NEOMCZZKXPMKOB-UHFFFAOYSA-N 1 2 356.451 2.788 20 30 FFEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N(C)C[C@H](C)C#N)c1 ZINC000437411897 514157827 /nfs/dbraw/zinc/15/78/27/514157827.db2.gz KSKWEKSYKAXRME-OAHLLOKOSA-N 1 2 367.453 2.907 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000437655623 514203912 /nfs/dbraw/zinc/20/39/12/514203912.db2.gz OJHVFRLRFBLACT-MOPGFXCFSA-N 1 2 354.454 2.712 20 30 FFEDLO C=CCC(C)(C)CNC(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000432580064 514232301 /nfs/dbraw/zinc/23/23/01/514232301.db2.gz MRMLHCIHBBOKRG-INIZCTEOSA-N 1 2 363.506 2.976 20 30 FFEDLO C=CCC(C)(C)CNC(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000432580064 514232310 /nfs/dbraw/zinc/23/23/10/514232310.db2.gz MRMLHCIHBBOKRG-INIZCTEOSA-N 1 2 363.506 2.976 20 30 FFEDLO Cc1cc(CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc(C)[nH+]1 ZINC000420850043 514334202 /nfs/dbraw/zinc/33/42/02/514334202.db2.gz PCPLJVQRDDLDGI-LJQANCHMSA-N 1 2 350.422 2.853 20 30 FFEDLO Cc1cccc(C[NH+]2CCN(C(=O)c3ncc(C#N)cc3Cl)CC2)c1 ZINC000427923963 514347097 /nfs/dbraw/zinc/34/70/97/514347097.db2.gz IDZHSRIXEOWBHM-UHFFFAOYSA-N 1 2 354.841 2.873 20 30 FFEDLO C[C@H]1C[C@H](CO)C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000420945339 514394465 /nfs/dbraw/zinc/39/44/65/514394465.db2.gz RPYNNAOHNMWWIC-KBPBESRZSA-N 1 2 361.511 2.777 20 30 FFEDLO C[C@H]1C[C@H](CO)C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000420945339 514394468 /nfs/dbraw/zinc/39/44/68/514394468.db2.gz RPYNNAOHNMWWIC-KBPBESRZSA-N 1 2 361.511 2.777 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@]23CCOC3)c1C#N ZINC000421022999 514443123 /nfs/dbraw/zinc/44/31/23/514443123.db2.gz QPIBLGFEYFOEJT-NRFANRHFSA-N 1 2 364.449 2.769 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@@]23CCOC3)c1C#N ZINC000421022999 514443129 /nfs/dbraw/zinc/44/31/29/514443129.db2.gz QPIBLGFEYFOEJT-NRFANRHFSA-N 1 2 364.449 2.769 20 30 FFEDLO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433305950 514452839 /nfs/dbraw/zinc/45/28/39/514452839.db2.gz PHCHDVVWMLZKOG-UHFFFAOYSA-N 1 2 367.497 2.646 20 30 FFEDLO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433305950 514452843 /nfs/dbraw/zinc/45/28/43/514452843.db2.gz PHCHDVVWMLZKOG-UHFFFAOYSA-N 1 2 367.497 2.646 20 30 FFEDLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@H+](C)CC(C)(C)C#N)c1 ZINC000433309921 514454273 /nfs/dbraw/zinc/45/42/73/514454273.db2.gz FKSNNSYLKHWDRA-KRWDZBQOSA-N 1 2 359.470 2.849 20 30 FFEDLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000433309921 514454276 /nfs/dbraw/zinc/45/42/76/514454276.db2.gz FKSNNSYLKHWDRA-KRWDZBQOSA-N 1 2 359.470 2.849 20 30 FFEDLO CCc1noc(CC)c1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000445649697 514502274 /nfs/dbraw/zinc/50/22/74/514502274.db2.gz ZJKQOMFYSNZHTC-UHFFFAOYSA-N 1 2 366.465 2.558 20 30 FFEDLO N#Cc1cccc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000450243739 514561832 /nfs/dbraw/zinc/56/18/32/514561832.db2.gz LYWLFIDXUJQTSA-SFHVURJKSA-N 1 2 352.394 2.952 20 30 FFEDLO Cc1cc(C)c(CNC(=O)N(C)CCOCc2ccc(C#N)cc2)c[nH+]1 ZINC000455581112 514609231 /nfs/dbraw/zinc/60/92/31/514609231.db2.gz XJDCCUDJBVIESH-UHFFFAOYSA-N 1 2 352.438 2.928 20 30 FFEDLO CC(C)(C#N)c1ccc(NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000502388649 514633643 /nfs/dbraw/zinc/63/36/43/514633643.db2.gz AJEKQXJGPZWEJV-UHFFFAOYSA-N 1 2 352.442 2.561 20 30 FFEDLO CO[C@@]1(C)C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000466675357 514725733 /nfs/dbraw/zinc/72/57/33/514725733.db2.gz HCCRAGBOOYSWEE-NQIIRXRSSA-N 1 2 370.497 2.589 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000471034463 514727248 /nfs/dbraw/zinc/72/72/48/514727248.db2.gz ZZESPLGFOCHGNN-KRWDZBQOSA-N 1 2 369.469 2.766 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000471034463 514727254 /nfs/dbraw/zinc/72/72/54/514727254.db2.gz ZZESPLGFOCHGNN-KRWDZBQOSA-N 1 2 369.469 2.766 20 30 FFEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000502755307 514763629 /nfs/dbraw/zinc/76/36/29/514763629.db2.gz JPIQSZZKDFXGPM-UHFFFAOYSA-N 1 2 369.440 2.903 20 30 FFEDLO COc1cc(C#N)ccc1OCCN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000502755307 514763639 /nfs/dbraw/zinc/76/36/39/514763639.db2.gz JPIQSZZKDFXGPM-UHFFFAOYSA-N 1 2 369.440 2.903 20 30 FFEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000471156742 514773379 /nfs/dbraw/zinc/77/33/79/514773379.db2.gz MDRDURTXRAKUDU-LPWGVKJSSA-N 1 2 368.525 2.952 20 30 FFEDLO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000508478015 514793054 /nfs/dbraw/zinc/79/30/54/514793054.db2.gz OSOUPIABHAYABW-UHFFFAOYSA-N 1 2 371.448 2.724 20 30 FFEDLO COC(=O)[C@H](c1ccccc1C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000466839180 514797891 /nfs/dbraw/zinc/79/78/91/514797891.db2.gz YBABYQIOPJHEEZ-NRFANRHFSA-N 1 2 363.461 2.899 20 30 FFEDLO Cc1nc(N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c(Cl)cc1C#N ZINC000461956505 514804372 /nfs/dbraw/zinc/80/43/72/514804372.db2.gz HYYCYRIVRJCZNI-SFHVURJKSA-N 1 2 364.877 2.815 20 30 FFEDLO Cc1ncc(C[NH+]2CCN(C(=O)[C@H](C)c3cccc(C#N)c3)CC2)s1 ZINC000462067166 514859877 /nfs/dbraw/zinc/85/98/77/514859877.db2.gz LZWBLONFCYNNEF-CQSZACIVSA-N 1 2 354.479 2.771 20 30 FFEDLO C=CCCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000467092533 514896924 /nfs/dbraw/zinc/89/69/24/514896924.db2.gz CQLFUZOFDSBENS-DLBZAZTESA-N 1 2 351.878 2.929 20 30 FFEDLO C=CCCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000467092533 514896933 /nfs/dbraw/zinc/89/69/33/514896933.db2.gz CQLFUZOFDSBENS-DLBZAZTESA-N 1 2 351.878 2.929 20 30 FFEDLO C=CCOCCCC(=O)NC1(c2noc(C[NH+](C)C)n2)CCCCCC1 ZINC000467178294 514928702 /nfs/dbraw/zinc/92/87/02/514928702.db2.gz ZPRPEDXIHGAPIJ-UHFFFAOYSA-N 1 2 364.490 2.780 20 30 FFEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1noc(C)c1C#N ZINC000498560408 514969820 /nfs/dbraw/zinc/96/98/20/514969820.db2.gz NXPUMNAWMDNPLP-UHFFFAOYSA-N 1 2 367.453 2.557 20 30 FFEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000480597172 515014167 /nfs/dbraw/zinc/01/41/67/515014167.db2.gz HVWXXYHFVYXOAS-INIZCTEOSA-N 1 2 365.433 2.801 20 30 FFEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000480597172 515014182 /nfs/dbraw/zinc/01/41/82/515014182.db2.gz HVWXXYHFVYXOAS-INIZCTEOSA-N 1 2 365.433 2.801 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000489891132 515017225 /nfs/dbraw/zinc/01/72/25/515017225.db2.gz VDBFYUMCHDJYKN-UHFFFAOYSA-N 1 2 365.393 2.523 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000489891132 515017230 /nfs/dbraw/zinc/01/72/30/515017230.db2.gz VDBFYUMCHDJYKN-UHFFFAOYSA-N 1 2 365.393 2.523 20 30 FFEDLO C[C@H](C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1)c1cccc(C#N)c1 ZINC000462386415 515023492 /nfs/dbraw/zinc/02/34/92/515023492.db2.gz AWKBJHDFTFRNQJ-YCRPNKLZSA-N 1 2 371.481 2.584 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000509171589 515056918 /nfs/dbraw/zinc/05/69/18/515056918.db2.gz UZVKRJKSKLZPOY-CYBMUJFWSA-N 1 2 357.479 2.874 20 30 FFEDLO C[C@H](C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1)c1cccc(C#N)c1 ZINC000462464912 515065564 /nfs/dbraw/zinc/06/55/64/515065564.db2.gz QBPMECPILFOQFY-KSSFIOAISA-N 1 2 352.438 2.679 20 30 FFEDLO Cc1cc(C)c(C#N)c(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)n1 ZINC000498933254 515128408 /nfs/dbraw/zinc/12/84/08/515128408.db2.gz KZVZTOYIROMACJ-UHFFFAOYSA-N 1 2 369.513 2.707 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](CCc3c(F)cccc3Cl)CC2)c1C#N ZINC000472152438 515147786 /nfs/dbraw/zinc/14/77/86/515147786.db2.gz HPEPADAMDSBBAH-UHFFFAOYSA-N 1 2 361.852 2.757 20 30 FFEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000472347358 515239128 /nfs/dbraw/zinc/23/91/28/515239128.db2.gz GPFBHANYDLLFFY-MOPGFXCFSA-N 1 2 370.497 2.655 20 30 FFEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000472347358 515239130 /nfs/dbraw/zinc/23/91/30/515239130.db2.gz GPFBHANYDLLFFY-MOPGFXCFSA-N 1 2 370.497 2.655 20 30 FFEDLO N#Cc1ccsc1NC(=O)CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000481231133 515255892 /nfs/dbraw/zinc/25/58/92/515255892.db2.gz QNWBNHLPRIQFAI-UHFFFAOYSA-N 1 2 363.446 2.802 20 30 FFEDLO C[N@H+](Cc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000477064563 515311104 /nfs/dbraw/zinc/31/11/04/515311104.db2.gz KLNMBLMGMSFWRA-QGZVFWFLSA-N 1 2 353.809 2.976 20 30 FFEDLO C[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000477064563 515311114 /nfs/dbraw/zinc/31/11/14/515311114.db2.gz KLNMBLMGMSFWRA-QGZVFWFLSA-N 1 2 353.809 2.976 20 30 FFEDLO CCN(CC)c1ccc(CNC(=O)NCc2ccc(C#N)c(F)c2)c[nH+]1 ZINC000454335197 515410665 /nfs/dbraw/zinc/41/06/65/515410665.db2.gz XJFDWHUUDGIXPR-UHFFFAOYSA-N 1 2 355.417 2.938 20 30 FFEDLO CCCCCNC(=O)C1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459293466 515450860 /nfs/dbraw/zinc/45/08/60/515450860.db2.gz FSXOLZFLBMSTHX-UHFFFAOYSA-N 1 2 358.442 2.985 20 30 FFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459333720 515476809 /nfs/dbraw/zinc/47/68/09/515476809.db2.gz DGHQMUSBCAXGCC-UHFFFAOYSA-N 1 2 353.304 2.857 20 30 FFEDLO COc1cc([C@@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])ccc1OCCO ZINC000459387501 515518202 /nfs/dbraw/zinc/51/82/02/515518202.db2.gz DFXMBIMNFCLLIA-CYBMUJFWSA-N 1 2 371.393 2.697 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C1=O ZINC000499985843 515548589 /nfs/dbraw/zinc/54/85/89/515548589.db2.gz FVAQYJWDIKRADX-YOEHRIQHSA-N 1 2 363.889 2.578 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C1=O ZINC000499985843 515548599 /nfs/dbraw/zinc/54/85/99/515548599.db2.gz FVAQYJWDIKRADX-YOEHRIQHSA-N 1 2 363.889 2.578 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccc(Br)s1 ZINC000468861763 515554827 /nfs/dbraw/zinc/55/48/27/515554827.db2.gz GJNSMZOFQNZZJX-JTQLQIEISA-N 1 2 356.289 2.893 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000468861763 515554839 /nfs/dbraw/zinc/55/48/39/515554839.db2.gz GJNSMZOFQNZZJX-JTQLQIEISA-N 1 2 356.289 2.893 20 30 FFEDLO CN(C)c1ncc(C[N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)cn1 ZINC000505503217 515561197 /nfs/dbraw/zinc/56/11/97/515561197.db2.gz MYSACHBTHOBFLD-UHFFFAOYSA-N 1 2 364.371 2.925 20 30 FFEDLO CN(C)c1ncc(C[N@@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)cn1 ZINC000505503217 515561206 /nfs/dbraw/zinc/56/12/06/515561206.db2.gz MYSACHBTHOBFLD-UHFFFAOYSA-N 1 2 364.371 2.925 20 30 FFEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000463677360 515578419 /nfs/dbraw/zinc/57/84/19/515578419.db2.gz MOLPEBJKZQQJNY-UHFFFAOYSA-N 1 2 354.391 2.553 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1C#N ZINC000505608146 515606921 /nfs/dbraw/zinc/60/69/21/515606921.db2.gz JLCBEOHTWGKRGW-LRDDRELGSA-N 1 2 370.478 2.802 20 30 FFEDLO Cc1cc(C[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)ccc1C#N ZINC000486748195 515617709 /nfs/dbraw/zinc/61/77/09/515617709.db2.gz WFINMCUEQFQZLA-UHFFFAOYSA-N 1 2 351.425 2.893 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000469014238 515628731 /nfs/dbraw/zinc/62/87/31/515628731.db2.gz REFLEVAGSVXOMP-LBPRGKRZSA-N 1 2 355.360 2.968 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000469014238 515628744 /nfs/dbraw/zinc/62/87/44/515628744.db2.gz REFLEVAGSVXOMP-LBPRGKRZSA-N 1 2 355.360 2.968 20 30 FFEDLO COC(=O)c1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000459550938 515640934 /nfs/dbraw/zinc/64/09/34/515640934.db2.gz VECSOKCOKSARKN-AWEZNQCLSA-N 1 2 363.417 2.730 20 30 FFEDLO COC(=O)c1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000459550938 515640941 /nfs/dbraw/zinc/64/09/41/515640941.db2.gz VECSOKCOKSARKN-AWEZNQCLSA-N 1 2 363.417 2.730 20 30 FFEDLO Cc1ccn2cc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[nH+]c2c1 ZINC000505798497 515674903 /nfs/dbraw/zinc/67/49/03/515674903.db2.gz CSIZADFCNVLALN-LJQANCHMSA-N 1 2 356.426 2.521 20 30 FFEDLO CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000510944822 515721960 /nfs/dbraw/zinc/72/19/60/515721960.db2.gz GWDHLYPVLUZEKN-UHFFFAOYSA-N 1 2 374.279 2.797 20 30 FFEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Br)cn1 ZINC000482967444 515865671 /nfs/dbraw/zinc/86/56/71/515865671.db2.gz XXBUCNAKCRZDTD-BONVTDFDSA-N 1 2 359.227 2.593 20 30 FFEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2cscc2C#N)cc1 ZINC000459939817 515909629 /nfs/dbraw/zinc/90/96/29/515909629.db2.gz GVKCQOWZXKWMLV-SFHVURJKSA-N 1 2 355.463 2.732 20 30 FFEDLO N#CCN1CCC(CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000464800031 515964987 /nfs/dbraw/zinc/96/49/87/515964987.db2.gz BZDXGCNQYPXPKG-UHFFFAOYSA-N 1 2 350.422 2.839 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@]2(CCOC2)O1 ZINC000483186035 515971977 /nfs/dbraw/zinc/97/19/77/515971977.db2.gz OYQZIVUSGLLLJQ-PBHICJAKSA-N 1 2 355.356 2.817 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@]2(CCOC2)O1 ZINC000483186035 515971986 /nfs/dbraw/zinc/97/19/86/515971986.db2.gz OYQZIVUSGLLLJQ-PBHICJAKSA-N 1 2 355.356 2.817 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1cccc(C#N)c1 ZINC000501191317 516012913 /nfs/dbraw/zinc/01/29/13/516012913.db2.gz HELLUBKNOCAFQW-DLBZAZTESA-N 1 2 369.490 2.842 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1cccc(C#N)c1 ZINC000501191317 516012915 /nfs/dbraw/zinc/01/29/15/516012915.db2.gz HELLUBKNOCAFQW-DLBZAZTESA-N 1 2 369.490 2.842 20 30 FFEDLO C=C[C@@H](C)NC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000465227513 516100442 /nfs/dbraw/zinc/10/04/42/516100442.db2.gz WGRFHYVGPXLGKW-CJNGLKHVSA-N 1 2 371.403 2.952 20 30 FFEDLO CCN(CC)C(=O)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000507243138 516137949 /nfs/dbraw/zinc/13/79/49/516137949.db2.gz KFUIZYALZATXNZ-UHFFFAOYSA-N 1 2 358.486 2.949 20 30 FFEDLO Cc1[nH]c2ccc(CN3C(=O)N[C@@](C)(c4ccc(C#N)cc4)C3=O)cc2[nH+]1 ZINC000460451774 516154090 /nfs/dbraw/zinc/15/40/90/516154090.db2.gz DBQSMOGGXKHZKF-FQEVSTJZSA-N 1 2 359.389 2.710 20 30 FFEDLO Cc1[nH]c2cc(CN3C(=O)N[C@@](C)(c4ccc(C#N)cc4)C3=O)ccc2[nH+]1 ZINC000460451774 516154099 /nfs/dbraw/zinc/15/40/99/516154099.db2.gz DBQSMOGGXKHZKF-FQEVSTJZSA-N 1 2 359.389 2.710 20 30 FFEDLO N#CCCCn1cc(C(=O)NCC2([NH+]3CCOCC3)CC2)c2ccccc21 ZINC000470160989 516154100 /nfs/dbraw/zinc/15/41/00/516154100.db2.gz KMQGCJGCOQYCSU-UHFFFAOYSA-N 1 2 366.465 2.540 20 30 FFEDLO C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507292591 516159641 /nfs/dbraw/zinc/15/96/41/516159641.db2.gz MZLOVALXHCSNMM-MRXNPFEDSA-N 1 2 366.440 2.524 20 30 FFEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000507299202 516161479 /nfs/dbraw/zinc/16/14/79/516161479.db2.gz WWSPTAZGUXZHJG-QZTJIDSGSA-N 1 2 362.477 2.946 20 30 FFEDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000528369899 516386010 /nfs/dbraw/zinc/38/60/10/516386010.db2.gz WDLBTNHDCGSZLI-OZOXKJRCSA-N 1 2 352.434 2.760 20 30 FFEDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000528369899 516386014 /nfs/dbraw/zinc/38/60/14/516386014.db2.gz WDLBTNHDCGSZLI-OZOXKJRCSA-N 1 2 352.434 2.760 20 30 FFEDLO C[C@]1(c2ccccc2)C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528402225 516410663 /nfs/dbraw/zinc/41/06/63/516410663.db2.gz FQDVXCXRFQFCHO-HSZRJFAPSA-N 1 2 374.440 2.534 20 30 FFEDLO C[C@]1(c2ccccc2)C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528402225 516410673 /nfs/dbraw/zinc/41/06/73/516410673.db2.gz FQDVXCXRFQFCHO-HSZRJFAPSA-N 1 2 374.440 2.534 20 30 FFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000517909914 516490937 /nfs/dbraw/zinc/49/09/37/516490937.db2.gz RAZIUHXFGFUPSU-ZWKOTPCHSA-N 1 2 372.513 2.835 20 30 FFEDLO CC[N@H+](CC(=O)N1CCCCCC1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000513211299 516523953 /nfs/dbraw/zinc/52/39/53/516523953.db2.gz WBEIRWCEDYXWJD-HNNXBMFYSA-N 1 2 374.485 2.820 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCCCCC1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000513211299 516523959 /nfs/dbraw/zinc/52/39/59/516523959.db2.gz WBEIRWCEDYXWJD-HNNXBMFYSA-N 1 2 374.485 2.820 20 30 FFEDLO COc1ccc(C[N@H+](CCC(C)(C)C#N)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000557965793 516527397 /nfs/dbraw/zinc/52/73/97/516527397.db2.gz DUZUMENBPXCSBL-INIZCTEOSA-N 1 2 350.484 2.624 20 30 FFEDLO COc1ccc(C[N@@H+](CCC(C)(C)C#N)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000557965793 516527410 /nfs/dbraw/zinc/52/74/10/516527410.db2.gz DUZUMENBPXCSBL-INIZCTEOSA-N 1 2 350.484 2.624 20 30 FFEDLO Cc1nc(SCC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c(C#N)c(C)c1C ZINC000535903068 516550592 /nfs/dbraw/zinc/55/05/92/516550592.db2.gz JOQNZUYJHGOMSG-OAHLLOKOSA-N 1 2 369.494 2.720 20 30 FFEDLO C=CCN(CC=C)C(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000518250353 516589240 /nfs/dbraw/zinc/58/92/40/516589240.db2.gz BBWICBIYVMOUPE-LJQANCHMSA-N 1 2 366.465 2.558 20 30 FFEDLO N#Cc1cnc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c(Cl)c1 ZINC000524023868 516629792 /nfs/dbraw/zinc/62/97/92/516629792.db2.gz ISFZHVJNXZRQJU-UHFFFAOYSA-N 1 2 370.840 2.700 20 30 FFEDLO C=CCCCNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000561761226 516753238 /nfs/dbraw/zinc/75/32/38/516753238.db2.gz VSJDKQKVYNGAAE-HNNXBMFYSA-N 1 2 363.889 2.628 20 30 FFEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000514096854 516862094 /nfs/dbraw/zinc/86/20/94/516862094.db2.gz YHHCXJJCHISGHB-CMPLNLGQSA-N 1 2 361.667 2.934 20 30 FFEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000514096854 516862105 /nfs/dbraw/zinc/86/21/05/516862105.db2.gz YHHCXJJCHISGHB-CMPLNLGQSA-N 1 2 361.667 2.934 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1 ZINC000514169206 516888115 /nfs/dbraw/zinc/88/81/15/516888115.db2.gz GCYXRLGPZXTERD-SJORKVTESA-N 1 2 364.449 2.626 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000519127400 516894025 /nfs/dbraw/zinc/89/40/25/516894025.db2.gz XMCCRANZHJOXDX-INIZCTEOSA-N 1 2 366.889 2.844 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000532583457 517047083 /nfs/dbraw/zinc/04/70/83/517047083.db2.gz UGVGFOSPEYAQNO-PLMTUMEDSA-N 1 2 370.497 2.557 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000532583457 517047093 /nfs/dbraw/zinc/04/70/93/517047093.db2.gz UGVGFOSPEYAQNO-PLMTUMEDSA-N 1 2 370.497 2.557 20 30 FFEDLO N#Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1Cl ZINC000537168069 517065189 /nfs/dbraw/zinc/06/51/89/517065189.db2.gz UIUQQNNZQDHWEX-GOSISDBHSA-N 1 2 369.852 2.842 20 30 FFEDLO N#Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1Cl ZINC000537168069 517065196 /nfs/dbraw/zinc/06/51/96/517065196.db2.gz UIUQQNNZQDHWEX-GOSISDBHSA-N 1 2 369.852 2.842 20 30 FFEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCC2(C#N)CC2)c1 ZINC000555689096 517067822 /nfs/dbraw/zinc/06/78/22/517067822.db2.gz XBDDUSDNMPLZME-UHFFFAOYSA-N 1 2 365.437 2.709 20 30 FFEDLO CC(C)OC1CC[NH+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000532632715 517070555 /nfs/dbraw/zinc/07/05/55/517070555.db2.gz KMKGRQHLVLQHFI-UHFFFAOYSA-N 1 2 367.453 2.572 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)[nH]1 ZINC000537562572 517233422 /nfs/dbraw/zinc/23/34/22/517233422.db2.gz YSHQYEKHEJIBCJ-WAGVIYRNSA-N 1 2 372.517 2.612 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)[nH]1 ZINC000537562572 517233427 /nfs/dbraw/zinc/23/34/27/517233427.db2.gz YSHQYEKHEJIBCJ-WAGVIYRNSA-N 1 2 372.517 2.612 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n1 ZINC000537562572 517233436 /nfs/dbraw/zinc/23/34/36/517233436.db2.gz YSHQYEKHEJIBCJ-WAGVIYRNSA-N 1 2 372.517 2.612 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n1 ZINC000537562572 517233443 /nfs/dbraw/zinc/23/34/43/517233443.db2.gz YSHQYEKHEJIBCJ-WAGVIYRNSA-N 1 2 372.517 2.612 20 30 FFEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n[nH]1 ZINC000537562572 517233448 /nfs/dbraw/zinc/23/34/48/517233448.db2.gz YSHQYEKHEJIBCJ-WAGVIYRNSA-N 1 2 372.517 2.612 20 30 FFEDLO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n[nH]1 ZINC000537562572 517233457 /nfs/dbraw/zinc/23/34/57/517233457.db2.gz YSHQYEKHEJIBCJ-WAGVIYRNSA-N 1 2 372.517 2.612 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000532982016 517234581 /nfs/dbraw/zinc/23/45/81/517234581.db2.gz NURLHWJTJOYPHC-CZUORRHYSA-N 1 2 374.872 2.625 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000532982016 517234587 /nfs/dbraw/zinc/23/45/87/517234587.db2.gz NURLHWJTJOYPHC-CZUORRHYSA-N 1 2 374.872 2.625 20 30 FFEDLO C=CCn1c(CC)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000548839196 517247353 /nfs/dbraw/zinc/24/73/53/517247353.db2.gz CPJVKIIAIGRVGY-UHFFFAOYSA-N 1 2 355.490 2.575 20 30 FFEDLO CCOC(=O)C[N@H+](CC(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000556087053 517261686 /nfs/dbraw/zinc/26/16/86/517261686.db2.gz LBJXEWORMRWGIE-GOSISDBHSA-N 1 2 357.454 2.575 20 30 FFEDLO CCOC(=O)C[N@@H+](CC(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000556087053 517261690 /nfs/dbraw/zinc/26/16/90/517261690.db2.gz LBJXEWORMRWGIE-GOSISDBHSA-N 1 2 357.454 2.575 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c(OC(F)F)c1 ZINC000545551284 517287447 /nfs/dbraw/zinc/28/74/47/517287447.db2.gz VJNDYHOZHMOXDL-UHFFFAOYSA-N 1 2 374.391 2.885 20 30 FFEDLO Cc1ccn2cc(CNC(=O)N3CCC(C#N)(c4ccccn4)CC3)[nH+]c2c1 ZINC000548900535 517288513 /nfs/dbraw/zinc/28/85/13/517288513.db2.gz RCWLZJKNFGFAOX-UHFFFAOYSA-N 1 2 374.448 2.805 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000556247078 517337243 /nfs/dbraw/zinc/33/72/43/517337243.db2.gz YOGSVKMZHYMABS-UHFFFAOYSA-N 1 2 358.486 2.595 20 30 FFEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000526135528 517363460 /nfs/dbraw/zinc/36/34/60/517363460.db2.gz ADVDOVKZAFTUQP-HNNXBMFYSA-N 1 2 360.889 2.581 20 30 FFEDLO CC(C)[N@H+](CC(=O)NCC(=O)c1cccs1)Cc1ccc(C#N)cc1 ZINC000533250553 517365208 /nfs/dbraw/zinc/36/52/08/517365208.db2.gz WIFZEGGGVGYALI-UHFFFAOYSA-N 1 2 355.463 2.829 20 30 FFEDLO CC(C)[N@@H+](CC(=O)NCC(=O)c1cccs1)Cc1ccc(C#N)cc1 ZINC000533250553 517365221 /nfs/dbraw/zinc/36/52/21/517365221.db2.gz WIFZEGGGVGYALI-UHFFFAOYSA-N 1 2 355.463 2.829 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000533434863 517462554 /nfs/dbraw/zinc/46/25/54/517462554.db2.gz CWPJQUXJTXSEEA-IEBWSBKVSA-N 1 2 355.482 2.703 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000533434863 517462562 /nfs/dbraw/zinc/46/25/62/517462562.db2.gz CWPJQUXJTXSEEA-IEBWSBKVSA-N 1 2 355.482 2.703 20 30 FFEDLO C=C(C)Cn1c(C2CCCC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000549249818 517478284 /nfs/dbraw/zinc/47/82/84/517478284.db2.gz KBLSZJQXXWOWJK-UHFFFAOYSA-N 1 2 367.501 2.937 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1cc[nH+]c(C)c1Br ZINC000527112306 517508659 /nfs/dbraw/zinc/50/86/59/517508659.db2.gz GTFIMNTTYAIWFB-UHFFFAOYSA-N 1 2 366.240 2.555 20 30 FFEDLO C=CCOc1cccnc1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000538253796 517527218 /nfs/dbraw/zinc/52/72/18/517527218.db2.gz BZTKTJBEKWPUIG-HNNXBMFYSA-N 1 2 361.392 2.957 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000549412452 517551300 /nfs/dbraw/zinc/55/13/00/517551300.db2.gz XGEGAWBRPIFXLY-INIZCTEOSA-N 1 2 351.397 2.864 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000549412452 517551312 /nfs/dbraw/zinc/55/13/12/517551312.db2.gz XGEGAWBRPIFXLY-INIZCTEOSA-N 1 2 351.397 2.864 20 30 FFEDLO N#Cc1cccn(C[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)c1=O ZINC000530096699 517560413 /nfs/dbraw/zinc/56/04/13/517560413.db2.gz KLJXTHDSNZSPRB-UHFFFAOYSA-N 1 2 367.453 2.673 20 30 FFEDLO Cc1ccn2cc(CNC(=O)c3cnc(C(F)(F)F)c(C#N)c3)[nH+]c2c1 ZINC000549547633 517613658 /nfs/dbraw/zinc/61/36/58/517613658.db2.gz IHLPCSJZXXYILX-UHFFFAOYSA-N 1 2 359.311 2.858 20 30 FFEDLO N#CCCOCC[NH+]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000549614526 517638160 /nfs/dbraw/zinc/63/81/60/517638160.db2.gz GGQXOXOKVSBCSU-UHFFFAOYSA-N 1 2 370.375 2.785 20 30 FFEDLO COc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1C#N ZINC000533938669 517677352 /nfs/dbraw/zinc/67/73/52/517677352.db2.gz AQPNQMMOAWRQSS-UHFFFAOYSA-N 1 2 371.387 2.803 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)c1 ZINC000521589090 517787965 /nfs/dbraw/zinc/78/79/65/517787965.db2.gz SHDQTQYMONNNOK-UHFFFAOYSA-N 1 2 369.469 2.725 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000527618561 517799954 /nfs/dbraw/zinc/79/99/54/517799954.db2.gz DXJVQYUXPPXYPP-UHFFFAOYSA-N 1 2 352.438 2.917 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000527618561 517799960 /nfs/dbraw/zinc/79/99/60/517799960.db2.gz DXJVQYUXPPXYPP-UHFFFAOYSA-N 1 2 352.438 2.917 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c(Cl)c1OC ZINC000546965787 517938180 /nfs/dbraw/zinc/93/81/80/517938180.db2.gz SFMAEELSZIGDEY-UHFFFAOYSA-N 1 2 372.856 2.946 20 30 FFEDLO COc1ccc([C@H](CNc2cc(C)nc(C#N)c2)[NH+]2CCOCC2)cc1 ZINC000557477067 518025944 /nfs/dbraw/zinc/02/59/44/518025944.db2.gz KVSFPVKYSLKGHF-FQEVSTJZSA-N 1 2 352.438 2.756 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000550394635 518029147 /nfs/dbraw/zinc/02/91/47/518029147.db2.gz ZDFXGIHJCOWPKG-ZWKOTPCHSA-N 1 2 355.825 2.891 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000550394635 518029155 /nfs/dbraw/zinc/02/91/55/518029155.db2.gz ZDFXGIHJCOWPKG-ZWKOTPCHSA-N 1 2 355.825 2.891 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000522279701 518063035 /nfs/dbraw/zinc/06/30/35/518063035.db2.gz XSHRNDYLNBUZEK-UHFFFAOYSA-N 1 2 352.419 2.531 20 30 FFEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000550489547 518083971 /nfs/dbraw/zinc/08/39/71/518083971.db2.gz OBHZHOSMRIGZAU-NSHDSACASA-N 1 2 356.207 2.573 20 30 FFEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000550489547 518083981 /nfs/dbraw/zinc/08/39/81/518083981.db2.gz OBHZHOSMRIGZAU-NSHDSACASA-N 1 2 356.207 2.573 20 30 FFEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc(Br)s2)C(N)=O)cc1 ZINC000522373312 518090412 /nfs/dbraw/zinc/09/04/12/518090412.db2.gz SRNQIFZLRZWVJJ-ZDUSSCGKSA-N 1 2 350.241 2.698 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000563767936 518114978 /nfs/dbraw/zinc/11/49/78/518114978.db2.gz BZUPRXYNEGKFIG-IUODEOHRSA-N 1 2 372.375 2.712 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000563767936 518114984 /nfs/dbraw/zinc/11/49/84/518114984.db2.gz BZUPRXYNEGKFIG-IUODEOHRSA-N 1 2 372.375 2.712 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1)OCC ZINC000535150575 518159429 /nfs/dbraw/zinc/15/94/29/518159429.db2.gz ACJLTVBGSOBLIT-UXHICEINSA-N 1 2 360.498 2.856 20 30 FFEDLO C=CCCn1cc(C(=O)N2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)nn1 ZINC000566792703 518209014 /nfs/dbraw/zinc/20/90/14/518209014.db2.gz MNXAXESAJUDHMG-MRXNPFEDSA-N 1 2 364.453 2.817 20 30 FFEDLO C[N@H+](C[C@H]1OCCc2ccccc21)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000572680856 518308156 /nfs/dbraw/zinc/30/81/56/518308156.db2.gz UVNCXSFXOHRCDL-ZWKOTPCHSA-N 1 2 367.474 2.971 20 30 FFEDLO C[N@@H+](C[C@H]1OCCc2ccccc21)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000572680856 518308164 /nfs/dbraw/zinc/30/81/64/518308164.db2.gz UVNCXSFXOHRCDL-ZWKOTPCHSA-N 1 2 367.474 2.971 20 30 FFEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ncc(C#N)cc3Cl)CC2)no1 ZINC000328624280 534344878 /nfs/dbraw/zinc/34/48/78/534344878.db2.gz CJWHCDACTRNEFU-AWEZNQCLSA-N 1 2 360.849 2.789 20 30 FFEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ncc(C#N)cc3Cl)CC2)no1 ZINC000328624280 534344890 /nfs/dbraw/zinc/34/48/90/534344890.db2.gz CJWHCDACTRNEFU-AWEZNQCLSA-N 1 2 360.849 2.789 20 30 FFEDLO N#Cc1csc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)n1 ZINC000569860627 518328621 /nfs/dbraw/zinc/32/86/21/518328621.db2.gz HMTYFHQTGFSTGX-UHFFFAOYSA-N 1 2 366.240 2.838 20 30 FFEDLO Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c(C)c[nH+]1 ZINC000578714848 518337048 /nfs/dbraw/zinc/33/70/48/518337048.db2.gz NSTSOWYQGNAWRE-AWEZNQCLSA-N 1 2 368.824 2.637 20 30 FFEDLO CN(Cc1nc(C#N)cs1)[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)CC1 ZINC000572740662 518340415 /nfs/dbraw/zinc/34/04/15/518340415.db2.gz ZTAGIKCOGRJEHV-OAHLLOKOSA-N 1 2 372.523 2.829 20 30 FFEDLO CN(Cc1nc(C#N)cs1)[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)CC1 ZINC000572740662 518340419 /nfs/dbraw/zinc/34/04/19/518340419.db2.gz ZTAGIKCOGRJEHV-OAHLLOKOSA-N 1 2 372.523 2.829 20 30 FFEDLO C=CCn1cc(CNC(=O)Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)nn1 ZINC000569923076 518357753 /nfs/dbraw/zinc/35/77/53/518357753.db2.gz VSFIURZWORAJRA-OAHLLOKOSA-N 1 2 369.473 2.868 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(NC(=O)c2ccccc2)cc1 ZINC000567140570 518373050 /nfs/dbraw/zinc/37/30/50/518373050.db2.gz UORVHPMKZDTKHN-SFHVURJKSA-N 1 2 353.422 2.524 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(NC(=O)c2ccccc2)cc1 ZINC000567140570 518373058 /nfs/dbraw/zinc/37/30/58/518373058.db2.gz UORVHPMKZDTKHN-SFHVURJKSA-N 1 2 353.422 2.524 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](CC(=O)NCc1cc(F)c(C#N)c(F)c1)C(F)(F)F ZINC000581676204 518403828 /nfs/dbraw/zinc/40/38/28/518403828.db2.gz PBVLQGCNUXGWQY-LLVKDONJSA-N 1 2 372.297 2.922 20 30 FFEDLO Cc1ccccc1-c1nc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)no1 ZINC000567225935 518416014 /nfs/dbraw/zinc/41/60/14/518416014.db2.gz VLGNIVIPAGJTSM-MRXNPFEDSA-N 1 2 361.405 2.965 20 30 FFEDLO Cc1ccccc1-c1nc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)no1 ZINC000567225935 518416023 /nfs/dbraw/zinc/41/60/23/518416023.db2.gz VLGNIVIPAGJTSM-MRXNPFEDSA-N 1 2 361.405 2.965 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3Cl)C2)nc1 ZINC000570113892 518446881 /nfs/dbraw/zinc/44/68/81/518446881.db2.gz FGOCRVDRBATOPX-CQSZACIVSA-N 1 2 356.813 2.698 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3ccccc3Cl)C2)nc1 ZINC000570113892 518446885 /nfs/dbraw/zinc/44/68/85/518446885.db2.gz FGOCRVDRBATOPX-CQSZACIVSA-N 1 2 356.813 2.698 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cn1C ZINC000570128127 518451872 /nfs/dbraw/zinc/45/18/72/518451872.db2.gz WEDSTPIAFHAOHC-UHFFFAOYSA-N 1 2 372.856 2.659 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000576233653 518493795 /nfs/dbraw/zinc/49/37/95/518493795.db2.gz NRNDEVBCYWVYOA-CABCVRRESA-N 1 2 350.488 2.984 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCc1ccc(F)cc1Cl ZINC000581916321 518500027 /nfs/dbraw/zinc/50/00/27/518500027.db2.gz SIZHPHQWGNKYLP-CYBMUJFWSA-N 1 2 359.836 2.894 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCc1ccc(F)cc1Cl ZINC000581916321 518500033 /nfs/dbraw/zinc/50/00/33/518500033.db2.gz SIZHPHQWGNKYLP-CYBMUJFWSA-N 1 2 359.836 2.894 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3Cc4ccc(O)cc4C4(CC4)C3)C2=O)cc1 ZINC000564672994 518557703 /nfs/dbraw/zinc/55/77/03/518557703.db2.gz CCUBZLURVWQUFE-HXUWFJFHSA-N 1 2 359.429 2.917 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3Cc4ccc(O)cc4C4(CC4)C3)C2=O)cc1 ZINC000564672994 518557706 /nfs/dbraw/zinc/55/77/06/518557706.db2.gz CCUBZLURVWQUFE-HXUWFJFHSA-N 1 2 359.429 2.917 20 30 FFEDLO CC(C)[N@@H+]1CC[C@H](NCc2ncc(C#N)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000579333979 518631674 /nfs/dbraw/zinc/63/16/74/518631674.db2.gz SZDIQOFZPHKMKK-PKOBYXMFSA-N 1 2 357.408 2.940 20 30 FFEDLO CC(C)[N@H+]1CC[C@H](NCc2ncc(C#N)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000579333979 518631676 /nfs/dbraw/zinc/63/16/76/518631676.db2.gz SZDIQOFZPHKMKK-PKOBYXMFSA-N 1 2 357.408 2.940 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(O)cc(C(F)(F)F)c3)CC2)nc1 ZINC000570490172 518632594 /nfs/dbraw/zinc/63/25/94/518632594.db2.gz AVCWBBIXYSAPJI-UHFFFAOYSA-N 1 2 362.355 3.000 20 30 FFEDLO N#Cc1cc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccc1OC(F)(F)F ZINC000570623425 518698513 /nfs/dbraw/zinc/69/85/13/518698513.db2.gz KQAAWHJJEJFJDV-GFCCVEGCSA-N 1 2 365.315 2.790 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000570628527 518701529 /nfs/dbraw/zinc/70/15/29/518701529.db2.gz XWOILAUGAKZFEG-KRWDZBQOSA-N 1 2 363.465 2.736 20 30 FFEDLO N#Cc1ccncc1C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000588148281 518735584 /nfs/dbraw/zinc/73/55/84/518735584.db2.gz AQUUECPNISSDDO-UHFFFAOYSA-N 1 2 374.366 2.930 20 30 FFEDLO N#CCCCCCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000588147509 518735807 /nfs/dbraw/zinc/73/58/07/518735807.db2.gz WJHNQLARGPQJRW-UHFFFAOYSA-N 1 2 357.454 2.576 20 30 FFEDLO CN1CC[NH+](C[C@H](Nc2ncc3c(c2C#N)CCC3)c2ccccc2)CC1 ZINC000579584647 518751863 /nfs/dbraw/zinc/75/18/63/518751863.db2.gz CHBGTDUBCCBSBX-NRFANRHFSA-N 1 2 361.493 2.843 20 30 FFEDLO Cc1cc([C@@H]2C[N@H+](Cc3cnc4c(C#N)cnn4c3)CCO2)ccc1F ZINC000573803033 518843218 /nfs/dbraw/zinc/84/32/18/518843218.db2.gz ASBTXJRWLGICLH-SFHVURJKSA-N 1 2 351.385 2.622 20 30 FFEDLO Cc1cc([C@@H]2C[N@@H+](Cc3cnc4c(C#N)cnn4c3)CCO2)ccc1F ZINC000573803033 518843223 /nfs/dbraw/zinc/84/32/23/518843223.db2.gz ASBTXJRWLGICLH-SFHVURJKSA-N 1 2 351.385 2.622 20 30 FFEDLO Cc1nc(C[NH+]2CCN(c3cccc(-n4cccn4)c3C#N)CC2)oc1C ZINC000573980716 518929649 /nfs/dbraw/zinc/92/96/49/518929649.db2.gz CWRGXMAPHSZPTB-UHFFFAOYSA-N 1 2 362.437 2.671 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(O)cc(C#N)c1)c1ccccc1F ZINC000589166620 518937036 /nfs/dbraw/zinc/93/70/36/518937036.db2.gz WCLHNRSFGBBZQK-QGZVFWFLSA-N 1 2 350.353 2.656 20 30 FFEDLO C[C@H](c1cccc(NC(=O)c2cc(O)cc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000589180068 518941762 /nfs/dbraw/zinc/94/17/62/518941762.db2.gz ULBZDNDFVOGMRY-CQSZACIVSA-N 1 2 351.406 2.909 20 30 FFEDLO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000582851411 518952566 /nfs/dbraw/zinc/95/25/66/518952566.db2.gz LNUHFUWWSZWKEI-UHFFFAOYSA-N 1 2 363.508 2.876 20 30 FFEDLO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ncc(Br)cn1 ZINC000571231400 518991247 /nfs/dbraw/zinc/99/12/47/518991247.db2.gz FCYACWIYEIIOFV-SNVBAGLBSA-N 1 2 357.215 2.609 20 30 FFEDLO Cc1cccn2cc(-c3ccc(NC(=O)C(=O)NCC4(C#N)CC4)cc3)[nH+]c12 ZINC000580299638 519106500 /nfs/dbraw/zinc/10/65/00/519106500.db2.gz XQKSRZRNGPFNKG-UHFFFAOYSA-N 1 2 373.416 2.668 20 30 FFEDLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000571499978 519125669 /nfs/dbraw/zinc/12/56/69/519125669.db2.gz HZSQPDVMYWWESR-QGZVFWFLSA-N 1 2 350.422 2.662 20 30 FFEDLO Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000571499978 519125672 /nfs/dbraw/zinc/12/56/72/519125672.db2.gz HZSQPDVMYWWESR-QGZVFWFLSA-N 1 2 350.422 2.662 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H](Oc3ccccc3)C2)C1=O ZINC000571638183 519196195 /nfs/dbraw/zinc/19/61/95/519196195.db2.gz NMHGUAAGFHTXCQ-DLBZAZTESA-N 1 2 353.447 2.878 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@H](Oc3ccccc3)C2)C1=O ZINC000571638183 519196196 /nfs/dbraw/zinc/19/61/96/519196196.db2.gz NMHGUAAGFHTXCQ-DLBZAZTESA-N 1 2 353.447 2.878 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)c1C#N ZINC000565921332 519196704 /nfs/dbraw/zinc/19/67/04/519196704.db2.gz DRWHZBZDLPYMOD-UHFFFAOYSA-N 1 2 354.439 2.629 20 30 FFEDLO CCN(CC)c1nc2sc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc2s1 ZINC000568766830 519205267 /nfs/dbraw/zinc/20/52/67/519205267.db2.gz HJMCRDQEATVDPV-MRXNPFEDSA-N 1 2 365.528 2.778 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCCc2c(cnn2C)C1 ZINC000583427168 519242140 /nfs/dbraw/zinc/24/21/40/519242140.db2.gz JOIRSUBTCAOSPA-MRXNPFEDSA-N 1 2 351.454 2.504 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCCc2c(cnn2C)C1 ZINC000583427168 519242149 /nfs/dbraw/zinc/24/21/49/519242149.db2.gz JOIRSUBTCAOSPA-MRXNPFEDSA-N 1 2 351.454 2.504 20 30 FFEDLO CCCc1noc2nc(C3CC3)cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c12 ZINC000578016759 519373653 /nfs/dbraw/zinc/37/36/53/519373653.db2.gz JUGSJAAXWMPXQP-LJQANCHMSA-N 1 2 355.442 2.626 20 30 FFEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)C2(C#N)CCOCC2)CC1 ZINC000572026240 519404984 /nfs/dbraw/zinc/40/49/84/519404984.db2.gz UVQTUVQRWNGYGE-UHFFFAOYSA-N 1 2 361.873 2.613 20 30 FFEDLO N#Cc1ccc(CNc2ccc(N3CCOCC3)c[nH+]2)c(C(F)(F)F)c1 ZINC000583782119 519429195 /nfs/dbraw/zinc/42/91/95/519429195.db2.gz URZGGDNIZQECOR-UHFFFAOYSA-N 1 2 362.355 2.843 20 30 FFEDLO C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)n1cc[nH+]c1 ZINC000566328515 519436203 /nfs/dbraw/zinc/43/62/03/519436203.db2.gz POOWTWHFMBZMQQ-ZBFHGGJFSA-N 1 2 355.417 2.630 20 30 FFEDLO CCOc1ccc(-c2noc(C[NH+]3C[C@H](C)N(CC#N)[C@@H](C)C3)n2)cc1 ZINC000602856554 519928349 /nfs/dbraw/zinc/92/83/49/519928349.db2.gz KPZWTZUHPVBWPT-GJZGRUSLSA-N 1 2 355.442 2.553 20 30 FFEDLO C[C@@H]1C[NH+](CCOc2ccccc2Br)C[C@@H](C)N1CC#N ZINC000602856018 519928583 /nfs/dbraw/zinc/92/85/83/519928583.db2.gz XVSNHJKKBRZKIR-ZIAGYGMSSA-N 1 2 352.276 2.746 20 30 FFEDLO Cc1ccc(F)c(N2CCC[C@@H]([N@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)C2=O)c1 ZINC000602859481 519933505 /nfs/dbraw/zinc/93/35/05/519933505.db2.gz YXTXNQVPAYKKMY-SOLBZPMBSA-N 1 2 358.461 2.548 20 30 FFEDLO Cc1ccc(F)c(N2CCC[C@@H]([N@@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)C2=O)c1 ZINC000602859481 519933512 /nfs/dbraw/zinc/93/35/12/519933512.db2.gz YXTXNQVPAYKKMY-SOLBZPMBSA-N 1 2 358.461 2.548 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H](C)N1CC#N ZINC000602862138 519933763 /nfs/dbraw/zinc/93/37/63/519933763.db2.gz MPZALJAJRMLHKR-BETUJISGSA-N 1 2 354.376 2.562 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H](C)N1CC#N ZINC000602862138 519933769 /nfs/dbraw/zinc/93/37/69/519933769.db2.gz MPZALJAJRMLHKR-BETUJISGSA-N 1 2 354.376 2.562 20 30 FFEDLO C[C@@H]1C[NH+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C[C@@H](C)N1CC#N ZINC000602866634 519937385 /nfs/dbraw/zinc/93/73/85/519937385.db2.gz WQQDFPSLOWAISH-GHMZBOCLSA-N 1 2 365.359 2.572 20 30 FFEDLO CCCn1nccc1NC(=O)C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602893775 519956142 /nfs/dbraw/zinc/95/61/42/519956142.db2.gz GRUDYUBSUXRYLL-UHFFFAOYSA-N 1 2 366.469 2.680 20 30 FFEDLO CCn1nc(C)c(C[N@H+](C)CC(=O)N(CCC#N)c2ccccc2)c1C ZINC000602924638 519974152 /nfs/dbraw/zinc/97/41/52/519974152.db2.gz HMQTVRUEEILBLJ-UHFFFAOYSA-N 1 2 353.470 2.899 20 30 FFEDLO CCn1nc(C)c(C[N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)c1C ZINC000602924638 519974156 /nfs/dbraw/zinc/97/41/56/519974156.db2.gz HMQTVRUEEILBLJ-UHFFFAOYSA-N 1 2 353.470 2.899 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC3(CCSCC3)CC2)c1 ZINC000602952268 519990907 /nfs/dbraw/zinc/99/09/07/519990907.db2.gz UECZIOSVSZRHRF-UHFFFAOYSA-N 1 2 364.536 2.941 20 30 FFEDLO Cc1cc(C)c(NC(=O)C(=O)N2CCc3c(CC#N)cccc3C2)c(C)[nH+]1 ZINC000600095239 520042458 /nfs/dbraw/zinc/04/24/58/520042458.db2.gz IPCBMIGLCIOYCU-UHFFFAOYSA-N 1 2 362.433 2.596 20 30 FFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000608813117 520135281 /nfs/dbraw/zinc/13/52/81/520135281.db2.gz XGCPOLDBTHXIKW-UHFFFAOYSA-N 1 2 360.421 2.832 20 30 FFEDLO N#CC1(CS(=O)(=O)NCc2ccc[nH+]c2N2CCCC2)CCCCC1 ZINC000594803969 520165498 /nfs/dbraw/zinc/16/54/98/520165498.db2.gz SGTMNCIVQZOTHK-UHFFFAOYSA-N 1 2 362.499 2.575 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NCc1ccc[nH+]c1N1CCOCC1 ZINC000603272938 520191058 /nfs/dbraw/zinc/19/10/58/520191058.db2.gz RZFZGZSDSQZISB-UHFFFAOYSA-N 1 2 360.421 2.588 20 30 FFEDLO C[C@H](NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)c1ccc(C#N)cc1 ZINC000603271168 520191533 /nfs/dbraw/zinc/19/15/33/520191533.db2.gz MPZOLAYWDSSHET-AWEZNQCLSA-N 1 2 355.463 2.586 20 30 FFEDLO C[C@H](NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)c1ccc(C#N)cc1 ZINC000603271168 520191534 /nfs/dbraw/zinc/19/15/34/520191534.db2.gz MPZOLAYWDSSHET-AWEZNQCLSA-N 1 2 355.463 2.586 20 30 FFEDLO CCOC(=O)c1csc(C2CC[NH+](Cc3ccncc3C#N)CC2)n1 ZINC000592113541 520191978 /nfs/dbraw/zinc/19/19/78/520191978.db2.gz SAGSXKZVUSXDDK-UHFFFAOYSA-N 1 2 356.451 2.966 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131317 520199844 /nfs/dbraw/zinc/19/98/44/520199844.db2.gz MVKLELWXXKMJBX-QGZVFWFLSA-N 1 2 368.437 2.786 20 30 FFEDLO Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148060 520224763 /nfs/dbraw/zinc/22/47/63/520224763.db2.gz QSSYKAZXLLALHF-JOCHJYFZSA-N 1 2 371.525 2.610 20 30 FFEDLO Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148060 520224775 /nfs/dbraw/zinc/22/47/75/520224775.db2.gz QSSYKAZXLLALHF-JOCHJYFZSA-N 1 2 371.525 2.610 20 30 FFEDLO CC(C)(C)C[C@@H](NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccc(F)cc1 ZINC000592149656 520227471 /nfs/dbraw/zinc/22/74/71/520227471.db2.gz SZVPUBYZUJEJLM-YLJYHZDGSA-N 1 2 361.461 2.770 20 30 FFEDLO CC(C)(C)C[C@@H](NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1ccc(F)cc1 ZINC000592149656 520227476 /nfs/dbraw/zinc/22/74/76/520227476.db2.gz SZVPUBYZUJEJLM-YLJYHZDGSA-N 1 2 361.461 2.770 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000592149908 520228347 /nfs/dbraw/zinc/22/83/47/520228347.db2.gz ZLHPPAGBDKRHEV-HXUWFJFHSA-N 1 2 351.406 2.768 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000592149908 520228354 /nfs/dbraw/zinc/22/83/54/520228354.db2.gz ZLHPPAGBDKRHEV-HXUWFJFHSA-N 1 2 351.406 2.768 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000592153544 520228668 /nfs/dbraw/zinc/22/86/68/520228668.db2.gz NLRCKGSCQDUYHA-QFIPXVFZSA-N 1 2 361.445 2.800 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000592153544 520228674 /nfs/dbraw/zinc/22/86/74/520228674.db2.gz NLRCKGSCQDUYHA-QFIPXVFZSA-N 1 2 361.445 2.800 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C(C)(C)CO ZINC000597846360 520276257 /nfs/dbraw/zinc/27/62/57/520276257.db2.gz KWNHTBWYOKUKSY-INIZCTEOSA-N 1 2 354.454 2.711 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@H]1CCCc2ccccc21 ZINC000609379549 520298720 /nfs/dbraw/zinc/29/87/20/520298720.db2.gz SUEUYOGVQQUYLC-LJQANCHMSA-N 1 2 355.482 2.571 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000609484307 520327206 /nfs/dbraw/zinc/32/72/06/520327206.db2.gz AHICNQXZSSKSBD-BXWFABGCSA-N 1 2 360.477 2.557 20 30 FFEDLO N#C[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000609514774 520339818 /nfs/dbraw/zinc/33/98/18/520339818.db2.gz JILMNIXNTFLOES-IBGZPJMESA-N 1 2 353.397 2.653 20 30 FFEDLO Cc1cccn2cc(CNC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)[nH+]c12 ZINC000609521841 520342705 /nfs/dbraw/zinc/34/27/05/520342705.db2.gz QQEUKENVEKQWPE-LJQANCHMSA-N 1 2 359.433 2.800 20 30 FFEDLO N#Cc1cc2c(nc1NC[C@H](c1cccs1)[NH+]1CCOCC1)CCC2 ZINC000603839523 520373337 /nfs/dbraw/zinc/37/33/37/520373337.db2.gz WDBUCXDNMOODCA-QGZVFWFLSA-N 1 2 354.479 2.989 20 30 FFEDLO N#CCC1CN(C(=O)C2CCN(c3ccc4cccc(O)c4[nH+]3)CC2)C1 ZINC000598030123 520385431 /nfs/dbraw/zinc/38/54/31/520385431.db2.gz LXKLKBOORGJUFE-UHFFFAOYSA-N 1 2 350.422 2.529 20 30 FFEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000595287583 520387779 /nfs/dbraw/zinc/38/77/79/520387779.db2.gz FQUVDPLPDORJAE-CYBMUJFWSA-N 1 2 356.875 2.554 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000595287583 520387784 /nfs/dbraw/zinc/38/77/84/520387784.db2.gz FQUVDPLPDORJAE-CYBMUJFWSA-N 1 2 356.875 2.554 20 30 FFEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1C[C@H]1CNc2c(C#N)cnn2C1 ZINC000592500976 520421915 /nfs/dbraw/zinc/42/19/15/520421915.db2.gz FBFSAFPKWKDTQM-LBTNJELSSA-N 1 2 371.872 2.912 20 30 FFEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1C[C@H]1CNc2c(C#N)cnn2C1 ZINC000592500976 520421925 /nfs/dbraw/zinc/42/19/25/520421925.db2.gz FBFSAFPKWKDTQM-LBTNJELSSA-N 1 2 371.872 2.912 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000600829137 520492002 /nfs/dbraw/zinc/49/20/02/520492002.db2.gz GCXPDKKMBVGZQW-YLJYHZDGSA-N 1 2 372.488 2.821 20 30 FFEDLO CN(CCOc1ccccc1C#N)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000610004290 520503278 /nfs/dbraw/zinc/50/32/78/520503278.db2.gz QCWMIXUHQGWTOV-UHFFFAOYSA-N 1 2 364.493 2.691 20 30 FFEDLO COc1ccc(CN(C)C(=O)C[N@H+](CCC#N)CC(C)(C)C)cc1OC ZINC000610091366 520535571 /nfs/dbraw/zinc/53/55/71/520535571.db2.gz MISVJAXBQYJEHK-UHFFFAOYSA-N 1 2 361.486 2.924 20 30 FFEDLO COc1ccc(CN(C)C(=O)C[N@@H+](CCC#N)CC(C)(C)C)cc1OC ZINC000610091366 520535580 /nfs/dbraw/zinc/53/55/80/520535580.db2.gz MISVJAXBQYJEHK-UHFFFAOYSA-N 1 2 361.486 2.924 20 30 FFEDLO CCOC(=O)c1sc2nc(C[N@@H+]3CCC[C@H](CC#N)C3)nc(N)c2c1C ZINC000595619715 520600203 /nfs/dbraw/zinc/60/02/03/520600203.db2.gz FYIABPDZNPAMIE-GFCCVEGCSA-N 1 2 373.482 2.884 20 30 FFEDLO CCOC(=O)c1sc2nc(C[N@H+]3CCC[C@H](CC#N)C3)nc(N)c2c1C ZINC000595619715 520600205 /nfs/dbraw/zinc/60/02/05/520600205.db2.gz FYIABPDZNPAMIE-GFCCVEGCSA-N 1 2 373.482 2.884 20 30 FFEDLO CN(C)C(=O)c1cccc(C[NH+]2CCN(c3ccsc3C#N)CC2)c1 ZINC000595632305 520610033 /nfs/dbraw/zinc/61/00/33/520610033.db2.gz MXIPJQDGPCKQLE-UHFFFAOYSA-N 1 2 354.479 2.644 20 30 FFEDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000595678197 520642263 /nfs/dbraw/zinc/64/22/63/520642263.db2.gz RSTVPFNYMDCNRE-GOSISDBHSA-N 1 2 360.454 2.942 20 30 FFEDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000595678197 520642271 /nfs/dbraw/zinc/64/22/71/520642271.db2.gz RSTVPFNYMDCNRE-GOSISDBHSA-N 1 2 360.454 2.942 20 30 FFEDLO N#Cc1ccc(CCNC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000595684551 520647904 /nfs/dbraw/zinc/64/79/04/520647904.db2.gz OLWGURCLUXCTOZ-UHFFFAOYSA-N 1 2 354.479 2.690 20 30 FFEDLO C[C@H](C#N)N(CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C1CC1 ZINC000595710182 520666973 /nfs/dbraw/zinc/66/69/73/520666973.db2.gz NTCFHOSFJGLBLE-CQSZACIVSA-N 1 2 361.515 2.690 20 30 FFEDLO N#Cc1c(F)cccc1NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601177917 520674510 /nfs/dbraw/zinc/67/45/10/520674510.db2.gz DSNRZCJFXVPSQW-UHFFFAOYSA-N 1 2 357.454 2.874 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(C2(O)CC2)CC1 ZINC000593048786 520708030 /nfs/dbraw/zinc/70/80/30/520708030.db2.gz HKLJCZNJOVJNFG-LBPRGKRZSA-N 1 2 359.495 2.672 20 30 FFEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000598598702 520734101 /nfs/dbraw/zinc/73/41/01/520734101.db2.gz IXTVWCABESHDAW-ZBFHGGJFSA-N 1 2 354.397 2.962 20 30 FFEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000598598702 520734107 /nfs/dbraw/zinc/73/41/07/520734107.db2.gz IXTVWCABESHDAW-ZBFHGGJFSA-N 1 2 354.397 2.962 20 30 FFEDLO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1)c1nnc2n1CCCCC2 ZINC000595799903 520734984 /nfs/dbraw/zinc/73/49/84/520734984.db2.gz JTUPAAWUFMCOOF-PBHICJAKSA-N 1 2 366.469 2.944 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCc3nccnc3C1)CCCC2 ZINC000595865290 520776663 /nfs/dbraw/zinc/77/66/63/520776663.db2.gz WGEOPVZQTFJUAX-UHFFFAOYSA-N 1 2 367.478 2.675 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCc3nccnc3C1)CCCC2 ZINC000595865290 520776667 /nfs/dbraw/zinc/77/66/67/520776667.db2.gz WGEOPVZQTFJUAX-UHFFFAOYSA-N 1 2 367.478 2.675 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CC(c4nc5ccccc5[nH]4)C3)C2=O)cc1 ZINC000610701476 520803933 /nfs/dbraw/zinc/80/39/33/520803933.db2.gz NZOVTHIGABVOGC-LJQANCHMSA-N 1 2 357.417 2.639 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000610944875 520913488 /nfs/dbraw/zinc/91/34/88/520913488.db2.gz GDJVXUNVLKPDBI-ZIAGYGMSSA-N 1 2 369.494 2.969 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000610944875 520913492 /nfs/dbraw/zinc/91/34/92/520913492.db2.gz GDJVXUNVLKPDBI-ZIAGYGMSSA-N 1 2 369.494 2.969 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[C@H](CC#N)C1)c1ccc(F)cc1 ZINC000596110823 520917521 /nfs/dbraw/zinc/91/75/21/520917521.db2.gz UGISBEIJQDWLMK-PBHICJAKSA-N 1 2 355.417 2.984 20 30 FFEDLO Cc1cc(N2CCN(C(=O)NCC3(C#N)CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000593425259 520985283 /nfs/dbraw/zinc/98/52/83/520985283.db2.gz DNIWAZRAHHEWBE-UHFFFAOYSA-N 1 2 370.501 2.824 20 30 FFEDLO CC(C)(C)n1ncc2c1nc(N[C@H]1CCCc3cc(C#N)ccc31)[nH+]c2N ZINC000596276620 521004540 /nfs/dbraw/zinc/00/45/40/521004540.db2.gz GDWHJETXUWUQED-INIZCTEOSA-N 1 2 361.453 2.947 20 30 FFEDLO C[C@@H](CNC(=O)Cc1ccc(Br)cc1C#N)Cn1cc[nH+]c1 ZINC000593479788 521021045 /nfs/dbraw/zinc/02/10/45/521021045.db2.gz FDEDJZZFKKXQGI-LBPRGKRZSA-N 1 2 361.243 2.512 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000611177128 521026726 /nfs/dbraw/zinc/02/67/26/521026726.db2.gz WDIIFRUBRIAJJI-ZDUSSCGKSA-N 1 2 363.343 2.567 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000611177128 521026729 /nfs/dbraw/zinc/02/67/29/521026729.db2.gz WDIIFRUBRIAJJI-ZDUSSCGKSA-N 1 2 363.343 2.567 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@H](C(F)F)CC2)c1 ZINC000601974323 521051497 /nfs/dbraw/zinc/05/14/97/521051497.db2.gz IAIMYFUYDGUJKV-KRWDZBQOSA-N 1 2 365.424 2.906 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCO[C@H](C(F)F)CC2)c1 ZINC000601974323 521051506 /nfs/dbraw/zinc/05/15/06/521051506.db2.gz IAIMYFUYDGUJKV-KRWDZBQOSA-N 1 2 365.424 2.906 20 30 FFEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC000611239495 521053205 /nfs/dbraw/zinc/05/32/05/521053205.db2.gz GOMUHEKLVUQCSZ-CYBMUJFWSA-N 1 2 350.451 2.841 20 30 FFEDLO CCn1nc(C)c(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1C ZINC000611259701 521063589 /nfs/dbraw/zinc/06/35/89/521063589.db2.gz BJYMRZIVPBWTGK-UHFFFAOYSA-N 1 2 354.458 2.579 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)C(C)(C)CO ZINC000596505461 521104055 /nfs/dbraw/zinc/10/40/55/521104055.db2.gz UBWGBXNZUFYOCV-DLBZAZTESA-N 1 2 369.469 2.824 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000599263311 521117175 /nfs/dbraw/zinc/11/71/75/521117175.db2.gz DYRRXKPFPKFDOK-MSOLQXFVSA-N 1 2 364.873 2.785 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000599263311 521117178 /nfs/dbraw/zinc/11/71/78/521117178.db2.gz DYRRXKPFPKFDOK-MSOLQXFVSA-N 1 2 364.873 2.785 20 30 FFEDLO CC(C)C[C@H](C(=O)N1CCC(C#N)(c2ccccn2)CC1)n1cc[nH+]c1 ZINC000602148771 521172818 /nfs/dbraw/zinc/17/28/18/521172818.db2.gz AIZCQTVAOOXAHE-QGZVFWFLSA-N 1 2 351.454 2.949 20 30 FFEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000611551552 521215257 /nfs/dbraw/zinc/21/52/57/521215257.db2.gz RDVDYFIBUCMSJN-QKLQHJQFSA-N 1 2 372.488 2.512 20 30 FFEDLO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3c(O)cc(F)cc3F)CC2)c1 ZINC000593885964 521272321 /nfs/dbraw/zinc/27/23/21/521272321.db2.gz LLRHKOZSHZDCGV-UHFFFAOYSA-N 1 2 371.387 2.936 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)c(Cl)cc1O ZINC000602434270 521342108 /nfs/dbraw/zinc/34/21/08/521342108.db2.gz QBXROUMUJMRMHW-UHFFFAOYSA-N 1 2 358.829 2.643 20 30 FFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc3nccnc3c2)CC1 ZINC000602446212 521352363 /nfs/dbraw/zinc/35/23/63/521352363.db2.gz YNMMEOQVPLBVIH-UHFFFAOYSA-N 1 2 360.421 2.689 20 30 FFEDLO Cc1cc(=O)n2nc(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)sc2n1 ZINC000594032768 521364023 /nfs/dbraw/zinc/36/40/23/521364023.db2.gz ORILWFFTHFMKGS-UHFFFAOYSA-N 1 2 351.435 2.500 20 30 FFEDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000599692780 521406590 /nfs/dbraw/zinc/40/65/90/521406590.db2.gz XLXWDLDBOWFHPA-HNNXBMFYSA-N 1 2 350.260 2.811 20 30 FFEDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000599692780 521406594 /nfs/dbraw/zinc/40/65/94/521406594.db2.gz XLXWDLDBOWFHPA-HNNXBMFYSA-N 1 2 350.260 2.811 20 30 FFEDLO Cc1c(Br)cncc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000596982865 521422320 /nfs/dbraw/zinc/42/23/20/521422320.db2.gz LVHPWHROSBSNFX-UHFFFAOYSA-N 1 2 372.270 2.741 20 30 FFEDLO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612158545 521510594 /nfs/dbraw/zinc/51/05/94/521510594.db2.gz MESJLENSABZJMN-GOSISDBHSA-N 1 2 351.397 2.872 20 30 FFEDLO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612158545 521510598 /nfs/dbraw/zinc/51/05/98/521510598.db2.gz MESJLENSABZJMN-GOSISDBHSA-N 1 2 351.397 2.872 20 30 FFEDLO COC(=O)c1coc([C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000602772678 521525293 /nfs/dbraw/zinc/52/52/93/521525293.db2.gz MXYRYIQVMNQQIT-ZDUSSCGKSA-N 1 2 355.394 2.937 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc2c1OCCO2 ZINC000597181672 521561225 /nfs/dbraw/zinc/56/12/25/521561225.db2.gz KVTBSKOBZADYSW-UHFFFAOYSA-N 1 2 371.462 2.722 20 30 FFEDLO N#CCCCN1C(=O)CCc2cc(NC(=O)CCCn3cc[nH+]c3)ccc21 ZINC000615882987 521567994 /nfs/dbraw/zinc/56/79/94/521567994.db2.gz RVITVYQESWDLLK-UHFFFAOYSA-N 1 2 365.437 2.885 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1Br ZINC000597228075 521585170 /nfs/dbraw/zinc/58/51/70/521585170.db2.gz CLYOAKFUVXLJEN-BONVTDFDSA-N 1 2 359.227 2.658 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1Br ZINC000597228075 521585173 /nfs/dbraw/zinc/58/51/73/521585173.db2.gz CLYOAKFUVXLJEN-BONVTDFDSA-N 1 2 359.227 2.658 20 30 FFEDLO Cc1ccc([C@@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)[NH+]2CCOCC2)cc1 ZINC000612358312 521590465 /nfs/dbraw/zinc/59/04/65/521590465.db2.gz JDPYBNZRNOMLJW-CTNGQTDRSA-N 1 2 370.497 2.704 20 30 FFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000619719693 521837447 /nfs/dbraw/zinc/83/74/47/521837447.db2.gz UZHXYEKHSSSAMS-OAHLLOKOSA-N 1 2 354.809 2.857 20 30 FFEDLO N#Cc1ccc(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1Cl ZINC000619781220 521869595 /nfs/dbraw/zinc/86/95/95/521869595.db2.gz ZFEAVWINJZZGSM-UHFFFAOYSA-N 1 2 369.852 2.974 20 30 FFEDLO C=CC[C@@H]1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)C1 ZINC000623457050 522037656 /nfs/dbraw/zinc/03/76/56/522037656.db2.gz YFRWQKBJBHYYFD-YESZJQIVSA-N 1 2 358.486 2.803 20 30 FFEDLO C=CC(C)(C)CCNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000626253474 522050739 /nfs/dbraw/zinc/05/07/39/522050739.db2.gz IPFTWYRQAOIZHQ-UHFFFAOYSA-N 1 2 358.486 2.798 20 30 FFEDLO C=C[C@H](CC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000629436915 522220050 /nfs/dbraw/zinc/22/00/50/522220050.db2.gz BXNIZLHBZCDQDH-TZIWHRDSSA-N 1 2 365.477 2.759 20 30 FFEDLO C=C[C@H](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000629436915 522220061 /nfs/dbraw/zinc/22/00/61/522220061.db2.gz BXNIZLHBZCDQDH-TZIWHRDSSA-N 1 2 365.477 2.759 20 30 FFEDLO C=CC(C)(C)CCNC(=O)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000627686182 523016827 /nfs/dbraw/zinc/01/68/27/523016827.db2.gz WUTLMWAEZGJEDP-UHFFFAOYSA-N 1 2 370.453 2.619 20 30 FFEDLO C=CCn1c([C@H]2CCCS2)n[n-]c1=[NH+]c1cnn(C2CC[NH+](C)CC2)c1 ZINC000634341368 523357409 /nfs/dbraw/zinc/35/74/09/523357409.db2.gz VJWDYNXHNAJHSX-MRXNPFEDSA-N 1 2 373.530 2.661 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)cc1OC ZINC000628174378 523401822 /nfs/dbraw/zinc/40/18/22/523401822.db2.gz HICDGRZDHWVWRZ-LBPRGKRZSA-N 1 2 361.891 2.778 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)cc1OC ZINC000628174378 523401830 /nfs/dbraw/zinc/40/18/30/523401830.db2.gz HICDGRZDHWVWRZ-LBPRGKRZSA-N 1 2 361.891 2.778 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1OC ZINC000628247469 523438250 /nfs/dbraw/zinc/43/82/50/523438250.db2.gz CIPBVSGGBUJTLA-GRDNDAEWSA-N 1 2 364.873 2.999 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1OC ZINC000628247469 523438258 /nfs/dbraw/zinc/43/82/58/523438258.db2.gz CIPBVSGGBUJTLA-GRDNDAEWSA-N 1 2 364.873 2.999 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)c3c[nH]c4ccc(F)cc43)C2)nc1 ZINC000625443501 523443353 /nfs/dbraw/zinc/44/33/53/523443353.db2.gz HUWMPULALLKVRR-OAHLLOKOSA-N 1 2 364.380 2.910 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)c3c[nH]c4ccc(F)cc43)C2)nc1 ZINC000625443501 523443360 /nfs/dbraw/zinc/44/33/60/523443360.db2.gz HUWMPULALLKVRR-OAHLLOKOSA-N 1 2 364.380 2.910 20 30 FFEDLO CN1CCCC[C@H]([N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)C1=O ZINC000634738644 523621767 /nfs/dbraw/zinc/62/17/67/523621767.db2.gz WBFQSXRWSHMGKU-IBGZPJMESA-N 1 2 366.465 2.680 20 30 FFEDLO CN1CCCC[C@H]([N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)C1=O ZINC000634738644 523621775 /nfs/dbraw/zinc/62/17/75/523621775.db2.gz WBFQSXRWSHMGKU-IBGZPJMESA-N 1 2 366.465 2.680 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)c1C#N ZINC000530261244 562404581 /nfs/dbraw/zinc/40/45/81/562404581.db2.gz IMESFINDDFFBAZ-GJZGRUSLSA-N 1 2 355.417 2.705 20 30 FFEDLO C#CCCCNC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000743692544 735315980 /nfs/dbraw/zinc/31/59/80/735315980.db2.gz HRZGFNXJZSEJBT-UHFFFAOYSA-N 1 2 353.388 2.946 20 30 FFEDLO C[C@@H](O)C1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000329349937 729797226 /nfs/dbraw/zinc/79/72/26/729797226.db2.gz DYHPFVWHNXBPEJ-CYBMUJFWSA-N 1 2 352.504 2.767 20 30 FFEDLO C#CC[N@@H+](C[C@@H](C)CSc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000859188237 730444667 /nfs/dbraw/zinc/44/46/67/730444667.db2.gz HWRNACVJPVMOHW-NVXWUHKLSA-N 1 2 351.537 2.846 20 30 FFEDLO C#CC[N@H+](C[C@@H](C)CSc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000859188237 730444669 /nfs/dbraw/zinc/44/46/69/730444669.db2.gz HWRNACVJPVMOHW-NVXWUHKLSA-N 1 2 351.537 2.846 20 30 FFEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000867680105 731212641 /nfs/dbraw/zinc/21/26/41/731212641.db2.gz YOXQGPIHPOGJSI-UHFFFAOYSA-N 1 2 363.414 2.714 20 30 FFEDLO COc1cccc(S(C)(=O)=O)c1N=NCc1[nH+]cc(C)c(OC)c1C ZINC000872367263 731757327 /nfs/dbraw/zinc/75/73/27/731757327.db2.gz SKRYHCJRKFDQPT-UHFFFAOYSA-N 1 2 363.439 2.565 20 30 FFEDLO N#Cc1cnccc1C[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880221197 732869359 /nfs/dbraw/zinc/86/93/59/732869359.db2.gz AERXWODFXAAFOK-CALCHBBNSA-N 1 2 358.239 2.856 20 30 FFEDLO C#CCC1(O)CC[NH+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000880480311 732913489 /nfs/dbraw/zinc/91/34/89/732913489.db2.gz NSPSPUMBFLAUOW-UHFFFAOYSA-N 1 2 363.523 2.608 20 30 FFEDLO C#CCC1(O)CC[NH+](Cc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000880482023 732913879 /nfs/dbraw/zinc/91/38/79/732913879.db2.gz VFNIEZIXNKMQIN-UHFFFAOYSA-N 1 2 356.495 2.503 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(F)ccc1SCC(F)F ZINC000884146617 733486248 /nfs/dbraw/zinc/48/62/48/733486248.db2.gz MZKGYZHQPYLSRR-JTQLQIEISA-N 1 2 362.373 2.568 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(SC)c(Br)c1 ZINC000884429805 733524088 /nfs/dbraw/zinc/52/40/88/733524088.db2.gz UMZRSDQAVKHSAF-NSHDSACASA-N 1 2 373.272 2.556 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782618808 738738820 /nfs/dbraw/zinc/73/88/20/738738820.db2.gz PARFBEFUYZPOCR-QHRIQVFBSA-N 1 2 359.495 2.530 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782618808 738738826 /nfs/dbraw/zinc/73/88/26/738738826.db2.gz PARFBEFUYZPOCR-QHRIQVFBSA-N 1 2 359.495 2.530 20 30 FFEDLO N#Cc1cccc(NC(=O)CO[NH+]=C(N)c2ccc(Br)cc2)c1 ZINC000782948521 738767096 /nfs/dbraw/zinc/76/70/96/738767096.db2.gz JXANDXCKAXIIGX-UHFFFAOYSA-N 1 2 373.210 2.596 20 30 FFEDLO CC(C)N(C(=O)CO[NH+]=C(N)c1ccc(Br)cc1)C(C)C ZINC000782949555 738767111 /nfs/dbraw/zinc/76/71/11/738767111.db2.gz WQNMNLAJTDQOGV-UHFFFAOYSA-N 1 2 356.264 2.731 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2nc(Cl)c(C#N)s2)C1 ZINC000888419620 734052779 /nfs/dbraw/zinc/05/27/79/734052779.db2.gz WVVSAYLWSKHYBW-SECBINFHSA-N 1 2 350.835 2.813 20 30 FFEDLO C#CC[N@@H+](CC)CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000726913856 734453722 /nfs/dbraw/zinc/45/37/22/734453722.db2.gz SQSYXCYLPKSFQG-UHFFFAOYSA-N 1 2 358.360 2.624 20 30 FFEDLO C#CC[N@H+](CC)CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000726913856 734453725 /nfs/dbraw/zinc/45/37/25/734453725.db2.gz SQSYXCYLPKSFQG-UHFFFAOYSA-N 1 2 358.360 2.624 20 30 FFEDLO N#Cc1ccc(NC(=S)N2CCC[C@H]2C[NH+]2CCOCC2)cc1Cl ZINC000743006775 735269170 /nfs/dbraw/zinc/26/91/70/735269170.db2.gz JFAUZRCYMBDDQW-HNNXBMFYSA-N 1 2 364.902 2.705 20 30 FFEDLO C#CC[N@@H+](CCCc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000748818609 735674758 /nfs/dbraw/zinc/67/47/58/735674758.db2.gz ZPFIBSFNFKHFDO-INIZCTEOSA-N 1 2 359.413 2.760 20 30 FFEDLO C#CC[N@H+](CCCc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000748818609 735674760 /nfs/dbraw/zinc/67/47/60/735674760.db2.gz ZPFIBSFNFKHFDO-INIZCTEOSA-N 1 2 359.413 2.760 20 30 FFEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3cccc(NS(C)(=O)=O)c3)n21 ZINC000748997215 735687827 /nfs/dbraw/zinc/68/78/27/735687827.db2.gz HRKIWZBRVKKAIT-KTKRTIGZSA-N 1 2 355.419 2.910 20 30 FFEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)c2ccc(Cl)cc2C#N)c1C ZINC000751057978 735842716 /nfs/dbraw/zinc/84/27/16/735842716.db2.gz LUWBJHBZDKNHAE-UHFFFAOYSA-N 1 2 365.842 2.711 20 30 FFEDLO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1c(F)c(F)c(F)c(F)c1F ZINC000755866589 736284812 /nfs/dbraw/zinc/28/48/12/736284812.db2.gz KZUSNONONQYSAI-UHFFFAOYSA-N 1 2 359.302 2.624 20 30 FFEDLO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1c(F)c(F)c(F)c(F)c1F ZINC000755866589 736284814 /nfs/dbraw/zinc/28/48/14/736284814.db2.gz KZUSNONONQYSAI-UHFFFAOYSA-N 1 2 359.302 2.624 20 30 FFEDLO C=CC[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C(=O)OC ZINC000905754846 736394047 /nfs/dbraw/zinc/39/40/47/736394047.db2.gz HRHJRPJFJOTXHR-INIZCTEOSA-N 1 2 354.397 2.964 20 30 FFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)COc2cccc(C#N)c2)CC1 ZINC000765315366 737107875 /nfs/dbraw/zinc/10/78/75/737107875.db2.gz YIDHMAJFEHATNX-OAHLLOKOSA-N 1 2 355.463 2.904 20 30 FFEDLO C[N@H+](CCOc1cccc(Cl)c1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766611886 737245542 /nfs/dbraw/zinc/24/55/42/737245542.db2.gz RYOWPLWRJQDHGP-UHFFFAOYSA-N 1 2 357.841 2.830 20 30 FFEDLO C[N@@H+](CCOc1cccc(Cl)c1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766611886 737245546 /nfs/dbraw/zinc/24/55/46/737245546.db2.gz RYOWPLWRJQDHGP-UHFFFAOYSA-N 1 2 357.841 2.830 20 30 FFEDLO C#CCCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000766896937 737272989 /nfs/dbraw/zinc/27/29/89/737272989.db2.gz VUDLHHREZHVENW-UHFFFAOYSA-N 1 2 361.294 2.713 20 30 FFEDLO C#CC[NH+]1CCC(C(=O)O[C@@H](Cc2ccc(Cl)cc2F)C(C)=O)CC1 ZINC000768692714 737449957 /nfs/dbraw/zinc/44/99/57/737449957.db2.gz ICZKTPUPKNUAGO-SFHVURJKSA-N 1 2 365.832 2.868 20 30 FFEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000914060415 737497174 /nfs/dbraw/zinc/49/71/74/737497174.db2.gz MRAZCMYEJREMFL-KRWDZBQOSA-N 1 2 358.467 2.539 20 30 FFEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000914237035 737535668 /nfs/dbraw/zinc/53/56/68/737535668.db2.gz LQGQRTDAHIRHQH-INIZCTEOSA-N 1 2 358.467 2.608 20 30 FFEDLO COC(=O)N1CCN(c2ccc(NCc3csc(C#N)c3)c[nH+]2)CC1 ZINC000922148698 738098185 /nfs/dbraw/zinc/09/81/85/738098185.db2.gz LSQRMEGLKYZHHY-UHFFFAOYSA-N 1 2 357.439 2.515 20 30 FFEDLO CCN(CC)c1ncc(C=[NH+]Nc2cccc(S(C)(=O)=O)c2)s1 ZINC000776263218 738175588 /nfs/dbraw/zinc/17/55/88/738175588.db2.gz OUZJLLNHOPVORO-UHFFFAOYSA-N 1 2 352.485 2.839 20 30 FFEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCO[C@@](C)(C#N)C3)n2)C1 ZINC000929331384 738970870 /nfs/dbraw/zinc/97/08/70/738970870.db2.gz HGKYCZYPRDEPPY-GUYCJALGSA-N 1 2 363.487 2.521 20 30 FFEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCO[C@@](C)(C#N)C3)n2)C1 ZINC000929331384 738970872 /nfs/dbraw/zinc/97/08/72/738970872.db2.gz HGKYCZYPRDEPPY-GUYCJALGSA-N 1 2 363.487 2.521 20 30 FFEDLO NC(=[NH+]OCc1ncc(Br)s1)c1ccc2c(c1)CCO2 ZINC000788506269 739251911 /nfs/dbraw/zinc/25/19/11/739251911.db2.gz SRPUFAOHVNRWGH-UHFFFAOYSA-N 1 2 354.229 2.678 20 30 FFEDLO COCCN(C)c1ccc(C=[NH+]NC(=S)N[C@H]2CCCC[C@@H]2C)cn1 ZINC000790147985 739422333 /nfs/dbraw/zinc/42/23/33/739422333.db2.gz OEXFDEUQOCJNGW-HOCLYGCPSA-N 1 2 363.531 2.541 20 30 FFEDLO C[C@]12CC[N@H+](CC(=O)NCc3cccc(C#N)c3)C[C@H]1C2(Cl)Cl ZINC000792913005 739718092 /nfs/dbraw/zinc/71/80/92/739718092.db2.gz ZSEJDZKLMSJXDI-ZBFHGGJFSA-N 1 2 352.265 2.690 20 30 FFEDLO C[C@]12CC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C[C@H]1C2(Cl)Cl ZINC000792913005 739718094 /nfs/dbraw/zinc/71/80/94/739718094.db2.gz ZSEJDZKLMSJXDI-ZBFHGGJFSA-N 1 2 352.265 2.690 20 30 FFEDLO Cc1c(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)nnn1-c1ccccc1 ZINC000794702475 739921288 /nfs/dbraw/zinc/92/12/88/739921288.db2.gz YQYAEBBYAHXZEZ-KTKRTIGZSA-N 1 2 353.451 2.990 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2ccc(Cl)cc2-n2cncn2)cc1 ZINC000794714977 739923235 /nfs/dbraw/zinc/92/32/35/739923235.db2.gz JIZXZUQZOVKPAR-UHFFFAOYSA-N 1 2 357.801 2.766 20 30 FFEDLO COCCN(C)[NH+]=Cc1cc(Br)cc(Br)c1N ZINC000794966939 739945877 /nfs/dbraw/zinc/94/58/77/739945877.db2.gz YAUHLIUOUPTFFH-UHFFFAOYSA-N 1 2 365.069 2.706 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cscn1 ZINC000960913097 740627982 /nfs/dbraw/zinc/62/79/82/740627982.db2.gz QKTZKRKQSGCOLT-BZSNNMDCSA-N 1 2 363.527 2.937 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cscn1 ZINC000960913097 740627985 /nfs/dbraw/zinc/62/79/85/740627985.db2.gz QKTZKRKQSGCOLT-BZSNNMDCSA-N 1 2 363.527 2.937 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2cccs2)CC1 ZINC000802697369 740718473 /nfs/dbraw/zinc/71/84/73/740718473.db2.gz OGIQONFBGIANOD-UHFFFAOYSA-N 1 2 357.527 2.732 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC000970569857 740752662 /nfs/dbraw/zinc/75/26/62/740752662.db2.gz CONXIQCNAVFHMN-SKDZVZGDSA-N 1 2 363.889 2.653 20 30 FFEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)C2)C1 ZINC000972434481 740830149 /nfs/dbraw/zinc/83/01/49/740830149.db2.gz GXAMBFIZJLVOHX-VYDXJSESSA-N 1 2 360.420 2.844 20 30 FFEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)C2)C1 ZINC000972434481 740830157 /nfs/dbraw/zinc/83/01/57/740830157.db2.gz GXAMBFIZJLVOHX-VYDXJSESSA-N 1 2 360.420 2.844 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)s2)C1 ZINC000972507696 740832350 /nfs/dbraw/zinc/83/23/50/740832350.db2.gz BXBYLDDDPHCRBW-RYRKJORJSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)s2)C1 ZINC000972507696 740832355 /nfs/dbraw/zinc/83/23/55/740832355.db2.gz BXBYLDDDPHCRBW-RYRKJORJSA-N 1 2 363.527 2.856 20 30 FFEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc(Cl)cc1F ZINC000805185865 740948339 /nfs/dbraw/zinc/94/83/39/740948339.db2.gz RFTPBCMMPYVBAE-INIZCTEOSA-N 1 2 367.852 2.563 20 30 FFEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc(Cl)cc1F ZINC000805185865 740948342 /nfs/dbraw/zinc/94/83/42/740948342.db2.gz RFTPBCMMPYVBAE-INIZCTEOSA-N 1 2 367.852 2.563 20 30 FFEDLO COC(=O)N1CCN(c2ccc(NCc3cc(C#N)cs3)c[nH+]2)CC1 ZINC000815157324 741907947 /nfs/dbraw/zinc/90/79/47/741907947.db2.gz BIRIZRJAWIDYQE-UHFFFAOYSA-N 1 2 357.439 2.515 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2nc(C)sc2C)CC1 ZINC001001164656 742109573 /nfs/dbraw/zinc/10/95/73/742109573.db2.gz WRZGUFCIIQZKBK-AEFFLSMTSA-N 1 2 361.511 2.599 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2nc(C)sc2C)CC1 ZINC001001164656 742109575 /nfs/dbraw/zinc/10/95/75/742109575.db2.gz WRZGUFCIIQZKBK-AEFFLSMTSA-N 1 2 361.511 2.599 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC001008561334 742381153 /nfs/dbraw/zinc/38/11/53/742381153.db2.gz XMCQXEZILWWGRL-KSZLIROESA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC001008561334 742381158 /nfs/dbraw/zinc/38/11/58/742381158.db2.gz XMCQXEZILWWGRL-KSZLIROESA-N 1 2 350.409 2.637 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(N2CCCCC2)c(Cl)c1 ZINC000819436158 742390566 /nfs/dbraw/zinc/39/05/66/742390566.db2.gz AXCOVNRTBRAHDV-INIZCTEOSA-N 1 2 350.894 2.949 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(N2CCCCC2)c(Cl)c1 ZINC000819436158 742390570 /nfs/dbraw/zinc/39/05/70/742390570.db2.gz AXCOVNRTBRAHDV-INIZCTEOSA-N 1 2 350.894 2.949 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1nc(C)cs1 ZINC001028188404 742788586 /nfs/dbraw/zinc/78/85/86/742788586.db2.gz AJXJDMYDIWTNLR-BQFCYCMXSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1nc(C)cs1 ZINC001028188404 742788591 /nfs/dbraw/zinc/78/85/91/742788591.db2.gz AJXJDMYDIWTNLR-BQFCYCMXSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1csc(C)n1 ZINC001028192893 742789161 /nfs/dbraw/zinc/78/91/61/742789161.db2.gz MNHUSBITGWPGGN-BZSNNMDCSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1csc(C)n1 ZINC001028192893 742789166 /nfs/dbraw/zinc/78/91/66/742789166.db2.gz MNHUSBITGWPGGN-BZSNNMDCSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001033489792 742893495 /nfs/dbraw/zinc/89/34/95/742893495.db2.gz AHZHCHSHJSZEAE-BQFCYCMXSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001033489792 742893504 /nfs/dbraw/zinc/89/35/04/742893504.db2.gz AHZHCHSHJSZEAE-BQFCYCMXSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(C[NH+](Cc3nccs3)C2)CC1 ZINC001035816001 742960292 /nfs/dbraw/zinc/96/02/92/742960292.db2.gz GELIMMODOPEJGF-RDJZCZTQSA-N 1 2 361.511 2.549 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(=C)Br ZINC001045850228 743306948 /nfs/dbraw/zinc/30/69/48/743306948.db2.gz WUVPELLOHUHDFP-QXSJWSMHSA-N 1 2 369.303 2.551 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=C)Br ZINC001045850228 743306956 /nfs/dbraw/zinc/30/69/56/743306956.db2.gz WUVPELLOHUHDFP-QXSJWSMHSA-N 1 2 369.303 2.551 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046630561 743332886 /nfs/dbraw/zinc/33/28/86/743332886.db2.gz VVDVCGDIOHZPCP-BPAFIMBUSA-N 1 2 360.885 2.697 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046630561 743332893 /nfs/dbraw/zinc/33/28/93/743332893.db2.gz VVDVCGDIOHZPCP-BPAFIMBUSA-N 1 2 360.885 2.697 20 30 FFEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)O2 ZINC001053617933 744992276 /nfs/dbraw/zinc/99/22/76/744992276.db2.gz KMIKKITVYQNBIE-ZNMIVQPWSA-N 1 2 360.420 2.891 20 30 FFEDLO COc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@H](C)n2cc[nH+]c2)cc1Cl ZINC000845441908 748259464 /nfs/dbraw/zinc/25/94/64/748259464.db2.gz AJOFSXPRIQAFSB-WCQYABFASA-N 1 2 360.801 2.844 20 30 FFEDLO C[C@@H]1CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)[C@@H]1CCO ZINC000852460036 749865802 /nfs/dbraw/zinc/86/58/02/749865802.db2.gz ZHOSFMXROPHXAU-IIAWOOMASA-N 1 2 357.479 2.955 20 30 FFEDLO C[C@@H]1CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)[C@@H]1CCO ZINC000852460036 749865804 /nfs/dbraw/zinc/86/58/04/749865804.db2.gz ZHOSFMXROPHXAU-IIAWOOMASA-N 1 2 357.479 2.955 20 30 FFEDLO C=CCSc1nc2ccccc2n1C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000853550896 750090334 /nfs/dbraw/zinc/09/03/34/750090334.db2.gz NZRDMOUBJJXELQ-INIZCTEOSA-N 1 2 358.511 2.678 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 ZINC000054230613 971571548 /nfs/dbraw/zinc/57/15/48/971571548.db2.gz ZSQJGNJZRATUHY-HNNXBMFYSA-N 1 2 355.438 2.826 20 30 FFEDLO Cc1ccc([C@@H](C)CC[N@@H+]2C[C@]3(F)CN(CCCC#N)C(=O)[C@]3(F)C2)o1 ZINC001275855816 1013101415 /nfs/dbraw/zinc/10/14/15/1013101415.db2.gz WAQGLHDZWHVVLK-ZOCIIQOWSA-N 1 2 365.424 2.960 20 30 FFEDLO Cc1ccc([C@@H](C)CC[N@H+]2C[C@]3(F)CN(CCCC#N)C(=O)[C@]3(F)C2)o1 ZINC001275855816 1013101430 /nfs/dbraw/zinc/10/14/30/1013101430.db2.gz WAQGLHDZWHVVLK-ZOCIIQOWSA-N 1 2 365.424 2.960 20 30 FFEDLO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(Br)ccc3C#N)CC[C@H]21 ZINC001141907795 971674336 /nfs/dbraw/zinc/67/43/36/971674336.db2.gz OILROSNTGMGKGC-XJKSGUPXSA-N 1 2 362.271 2.763 20 30 FFEDLO CN1C(=O)CC[C@H]2C[N@H+](Cc3cc(Br)ccc3C#N)CC[C@H]21 ZINC001141907795 971674339 /nfs/dbraw/zinc/67/43/39/971674339.db2.gz OILROSNTGMGKGC-XJKSGUPXSA-N 1 2 362.271 2.763 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001059440922 971740337 /nfs/dbraw/zinc/74/03/37/971740337.db2.gz RCXLBDWUCHXSQK-OVWQWFNUSA-N 1 2 356.470 2.703 20 30 FFEDLO CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1cccc(F)c1C#N ZINC001105307624 971833871 /nfs/dbraw/zinc/83/38/71/971833871.db2.gz OZVWBDJKSCLCLL-PBFPGSCMSA-N 1 2 355.417 2.777 20 30 FFEDLO CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1cccc(F)c1C#N ZINC001105307624 971833877 /nfs/dbraw/zinc/83/38/77/971833877.db2.gz OZVWBDJKSCLCLL-PBFPGSCMSA-N 1 2 355.417 2.777 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C4CC4)nn3C)CC[C@@H]2C1 ZINC001088064728 972067185 /nfs/dbraw/zinc/06/71/85/972067185.db2.gz SIOSEIAGUOBOMU-SJORKVTESA-N 1 2 371.529 2.575 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C4CC4)nn3C)CC[C@@H]2C1 ZINC001088064728 972067189 /nfs/dbraw/zinc/06/71/89/972067189.db2.gz SIOSEIAGUOBOMU-SJORKVTESA-N 1 2 371.529 2.575 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C4CCC4)no3)CC[C@@H]2C1 ZINC001088067315 972069706 /nfs/dbraw/zinc/06/97/06/972069706.db2.gz ZGKRBGMOZCJMGH-CVEARBPZSA-N 1 2 358.486 2.830 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C4CCC4)no3)CC[C@@H]2C1 ZINC001088067315 972069712 /nfs/dbraw/zinc/06/97/12/972069712.db2.gz ZGKRBGMOZCJMGH-CVEARBPZSA-N 1 2 358.486 2.830 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(F)cc(Cl)c1)C2 ZINC001275916534 1013186142 /nfs/dbraw/zinc/18/61/42/1013186142.db2.gz WLLOWBVFUNSSCE-SFHVURJKSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(F)cc(Cl)c1)C2 ZINC001275916534 1013186153 /nfs/dbraw/zinc/18/61/53/1013186153.db2.gz WLLOWBVFUNSSCE-SFHVURJKSA-N 1 2 352.837 2.716 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cccc(F)c2F)C1 ZINC000969693429 959767925 /nfs/dbraw/zinc/76/79/25/959767925.db2.gz SPFSIGUAWCKJBX-QBIMZIAESA-N 1 2 364.436 2.883 20 30 FFEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2CCN(C)C(=O)C2)C[C@@H](C)O1 ZINC000328637539 960221519 /nfs/dbraw/zinc/22/15/19/960221519.db2.gz AWLVEALBYCAVLC-OAGGEKHMSA-N 1 2 359.470 2.752 20 30 FFEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC001167273345 960548840 /nfs/dbraw/zinc/54/88/40/960548840.db2.gz CUNJSZVZSDBXFD-HNNXBMFYSA-N 1 2 359.445 2.808 20 30 FFEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC001167273345 960548847 /nfs/dbraw/zinc/54/88/47/960548847.db2.gz CUNJSZVZSDBXFD-HNNXBMFYSA-N 1 2 359.445 2.808 20 30 FFEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Cl)nc1F)CC2 ZINC001275949655 1013219156 /nfs/dbraw/zinc/21/91/56/1013219156.db2.gz PTDVQKUROMWDNN-AWEZNQCLSA-N 1 2 364.852 2.896 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)c(F)cc1F ZINC001276053726 1013374822 /nfs/dbraw/zinc/37/48/22/1013374822.db2.gz ORPFGGQKUQJMPQ-IAGOWNOFSA-N 1 2 351.372 2.973 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)c(F)cc1F ZINC001276053726 1013374829 /nfs/dbraw/zinc/37/48/29/1013374829.db2.gz ORPFGGQKUQJMPQ-IAGOWNOFSA-N 1 2 351.372 2.973 20 30 FFEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCC(C#N)CC3)CC2)cc1 ZINC000176009501 964008793 /nfs/dbraw/zinc/00/87/93/964008793.db2.gz GRSPXGLIYXICFA-UHFFFAOYSA-N 1 2 355.486 2.667 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1F ZINC001111489529 964382825 /nfs/dbraw/zinc/38/28/25/964382825.db2.gz BSKKXNGTGHXBPQ-QVDUIBETSA-N 1 2 350.409 2.777 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1F ZINC001111489529 964382840 /nfs/dbraw/zinc/38/28/40/964382840.db2.gz BSKKXNGTGHXBPQ-QVDUIBETSA-N 1 2 350.409 2.777 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1CC)C1CC[NH+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC001270345928 964978450 /nfs/dbraw/zinc/97/84/50/964978450.db2.gz TWRSEBBRCZYHIY-IIDMSEBBSA-N 1 2 370.497 2.980 20 30 FFEDLO CCc1[nH]c(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1C(=O)OC ZINC000894667389 965564603 /nfs/dbraw/zinc/56/46/03/965564603.db2.gz ZBTZMIOGZOOEHR-UHFFFAOYSA-N 1 2 352.438 2.816 20 30 FFEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](c4ccccc4)C3(C)C)C2)C1 ZINC000972386328 966903210 /nfs/dbraw/zinc/90/32/10/966903210.db2.gz BQCUVPHYHPFSJO-DXIQSLLYSA-N 1 2 354.494 2.916 20 30 FFEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](c4ccccc4)C3(C)C)C2)C1 ZINC000972386328 966903213 /nfs/dbraw/zinc/90/32/13/966903213.db2.gz BQCUVPHYHPFSJO-DXIQSLLYSA-N 1 2 354.494 2.916 20 30 FFEDLO COC(=O)[C@H](CS)Nc1ccc2c(c1)[nH+]cn2-c1ccccc1OC ZINC001167623992 967014185 /nfs/dbraw/zinc/01/41/85/967014185.db2.gz GEUXAESQLLJEIE-AWEZNQCLSA-N 1 2 357.435 2.917 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@H+](CCOc3ccc4c(c3)OCO4)CCO2)cc1 ZINC001176586963 1013727484 /nfs/dbraw/zinc/72/74/84/1013727484.db2.gz HDGINGMGZSJDDU-FQEVSTJZSA-N 1 2 352.390 2.739 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@@H+](CCOc3ccc4c(c3)OCO4)CCO2)cc1 ZINC001176586963 1013727492 /nfs/dbraw/zinc/72/74/92/1013727492.db2.gz HDGINGMGZSJDDU-FQEVSTJZSA-N 1 2 352.390 2.739 20 30 FFEDLO CN(CCCOc1ccccc1)C(=O)C[N@H+](C)Cc1cc(C#N)cs1 ZINC001176554215 1013730507 /nfs/dbraw/zinc/73/05/07/1013730507.db2.gz BFCUBVINYQPWNP-UHFFFAOYSA-N 1 2 357.479 2.979 20 30 FFEDLO CN(CCCOc1ccccc1)C(=O)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC001176554215 1013730514 /nfs/dbraw/zinc/73/05/14/1013730514.db2.gz BFCUBVINYQPWNP-UHFFFAOYSA-N 1 2 357.479 2.979 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cnc(C)[nH]2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087521877 967622661 /nfs/dbraw/zinc/62/26/61/967622661.db2.gz AEVAAFNGMUBCTM-FUHWJXTLSA-N 1 2 355.417 2.512 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cnc(C)[nH]2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087521877 967622666 /nfs/dbraw/zinc/62/26/66/967622666.db2.gz AEVAAFNGMUBCTM-FUHWJXTLSA-N 1 2 355.417 2.512 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H](C)n2cccc2)[C@H]1CC ZINC001087542936 967993355 /nfs/dbraw/zinc/99/33/55/967993355.db2.gz HETCQTBSXNWVFB-SOUVJXGZSA-N 1 2 354.292 2.927 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)n2cccc2)[C@H]1CC ZINC001087542936 967993359 /nfs/dbraw/zinc/99/33/59/967993359.db2.gz HETCQTBSXNWVFB-SOUVJXGZSA-N 1 2 354.292 2.927 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1coc(C2CC2)n1 ZINC001087545454 968018970 /nfs/dbraw/zinc/01/89/70/968018970.db2.gz KTZYHSNPVYSHLK-DOTOQJQBSA-N 1 2 353.426 2.535 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1coc(C2CC2)n1 ZINC001087545454 968018978 /nfs/dbraw/zinc/01/89/78/968018978.db2.gz KTZYHSNPVYSHLK-DOTOQJQBSA-N 1 2 353.426 2.535 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](Cc2nonc2C)[C@@H]1CC ZINC001087628460 968414304 /nfs/dbraw/zinc/41/43/04/968414304.db2.gz WTAWRCJMQQJSBA-FUHWJXTLSA-N 1 2 370.453 2.726 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](Cc2nonc2C)[C@@H]1CC ZINC001087628460 968414312 /nfs/dbraw/zinc/41/43/12/968414312.db2.gz WTAWRCJMQQJSBA-FUHWJXTLSA-N 1 2 370.453 2.726 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3cc[nH]c(=O)c3s2)[C@H]1CC ZINC001087632775 968428564 /nfs/dbraw/zinc/42/85/64/968428564.db2.gz WFCSACPWJFONDT-QWHCGFSZSA-N 1 2 365.886 2.925 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3cc[nH]c(=O)c3s2)[C@H]1CC ZINC001087632775 968428574 /nfs/dbraw/zinc/42/85/74/968428574.db2.gz WFCSACPWJFONDT-QWHCGFSZSA-N 1 2 365.886 2.925 20 30 FFEDLO CCOC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000255641433 968530983 /nfs/dbraw/zinc/53/09/83/968530983.db2.gz PJTDGSBPIONKMD-SJORKVTESA-N 1 2 372.469 2.532 20 30 FFEDLO CCOC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000255641433 968530986 /nfs/dbraw/zinc/53/09/86/968530986.db2.gz PJTDGSBPIONKMD-SJORKVTESA-N 1 2 372.469 2.532 20 30 FFEDLO C=CCCC1(CNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCCC1 ZINC000658532042 968789440 /nfs/dbraw/zinc/78/94/40/968789440.db2.gz PPVYDFIDZAWZIF-QGZVFWFLSA-N 1 2 358.486 2.689 20 30 FFEDLO C=C1CC=C(F)C=C1NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OC(C)(C)C ZINC001177091673 1013847444 /nfs/dbraw/zinc/84/74/44/1013847444.db2.gz GEYKORZNQMPMSQ-HNNXBMFYSA-N 1 2 362.405 2.659 20 30 FFEDLO C=C1CC=C(F)C=C1NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OC(C)(C)C ZINC001177091673 1013847448 /nfs/dbraw/zinc/84/74/48/1013847448.db2.gz GEYKORZNQMPMSQ-HNNXBMFYSA-N 1 2 362.405 2.659 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001024661337 969236101 /nfs/dbraw/zinc/23/61/01/969236101.db2.gz CJKOKGBTVJXTFY-GGPKGHCWSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001024661337 969236103 /nfs/dbraw/zinc/23/61/03/969236103.db2.gz CJKOKGBTVJXTFY-GGPKGHCWSA-N 1 2 371.456 2.759 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)/C=C\c2ccccc2C#N)CC1 ZINC000255903908 969591357 /nfs/dbraw/zinc/59/13/57/969591357.db2.gz XMJDJOGUEUKELR-KHPPLWFESA-N 1 2 361.445 2.924 20 30 FFEDLO C=CCCC(C)(C)NC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000658978266 969595216 /nfs/dbraw/zinc/59/52/16/969595216.db2.gz VCOJEIDNUPOKIK-INIZCTEOSA-N 1 2 373.497 2.879 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC=C(Cl)Cl)[C@@H]2CC)nc1 ZINC001087802552 970302477 /nfs/dbraw/zinc/30/24/77/970302477.db2.gz WVYWXWYYOGJAKS-DZGCQCFKSA-N 1 2 352.265 2.965 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC=C(Cl)Cl)[C@@H]2CC)nc1 ZINC001087802552 970302482 /nfs/dbraw/zinc/30/24/82/970302482.db2.gz WVYWXWYYOGJAKS-DZGCQCFKSA-N 1 2 352.265 2.965 20 30 FFEDLO C=C1CCC(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000975356828 972620442 /nfs/dbraw/zinc/62/04/42/972620442.db2.gz WWQVIQCQZIMXDU-KBAYOESNSA-N 1 2 370.497 2.614 20 30 FFEDLO C=C1CCC(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000975356828 972620454 /nfs/dbraw/zinc/62/04/54/972620454.db2.gz WWQVIQCQZIMXDU-KBAYOESNSA-N 1 2 370.497 2.614 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)C[C@@H]32)CC1 ZINC000975684373 973088684 /nfs/dbraw/zinc/08/86/84/973088684.db2.gz VKQWFBQHYOEVEW-WMZOPIPTSA-N 1 2 370.497 2.538 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1[nH]c2ccccc2c1C#N ZINC000897076491 973232927 /nfs/dbraw/zinc/23/29/27/973232927.db2.gz VRIBEWIGSUKVNP-UHFFFAOYSA-N 1 2 361.405 2.832 20 30 FFEDLO N#Cc1ccc(OCC(=O)Nc2cccc3[nH+]ccn32)cc1Br ZINC001126098080 974431668 /nfs/dbraw/zinc/43/16/68/974431668.db2.gz VCOJURVKBRNXLL-UHFFFAOYSA-N 1 2 371.194 2.986 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCCO3)[C@@H]2C1 ZINC001075573443 975002888 /nfs/dbraw/zinc/00/28/88/975002888.db2.gz KAFWMVGTMPIBEX-PWIZWCRZSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCCO3)[C@@H]2C1 ZINC001075573443 975002892 /nfs/dbraw/zinc/00/28/92/975002892.db2.gz KAFWMVGTMPIBEX-PWIZWCRZSA-N 1 2 371.456 2.689 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001483067852 975714506 /nfs/dbraw/zinc/71/45/06/975714506.db2.gz HAGLVKSSMANLKW-MLCBILRFSA-N 1 2 361.486 2.715 20 30 FFEDLO Cc1cc(C(=O)N2CC[C@H]3C[N@H+](CC#Cc4cccc(Cl)c4)C[C@H]32)n[nH]1 ZINC001075588270 975891507 /nfs/dbraw/zinc/89/15/07/975891507.db2.gz XLJRPFFELVACKP-QFBILLFUSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4cccc(Cl)c4)C[C@H]32)n[nH]1 ZINC001075588270 975891511 /nfs/dbraw/zinc/89/15/11/975891511.db2.gz XLJRPFFELVACKP-QFBILLFUSA-N 1 2 368.868 2.570 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000981659770 976690631 /nfs/dbraw/zinc/69/06/31/976690631.db2.gz FUJDWQYTEUTSNR-MJGOQNOKSA-N 1 2 359.445 2.547 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000981659770 976690640 /nfs/dbraw/zinc/69/06/40/976690640.db2.gz FUJDWQYTEUTSNR-MJGOQNOKSA-N 1 2 359.445 2.547 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC000981728930 976741307 /nfs/dbraw/zinc/74/13/07/976741307.db2.gz HVMHQLBKSMDKGQ-JKSUJKDBSA-N 1 2 366.465 2.705 20 30 FFEDLO C#CC[C@]1(C(=O)NCC(C)(C)n2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000898906547 976762991 /nfs/dbraw/zinc/76/29/91/976762991.db2.gz HTPCFYGJGOAKHU-HXUWFJFHSA-N 1 2 374.485 2.527 20 30 FFEDLO C#CC[C@@]1(C(=O)NCC(C)(C)n2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000898906546 976763579 /nfs/dbraw/zinc/76/35/79/976763579.db2.gz HTPCFYGJGOAKHU-FQEVSTJZSA-N 1 2 374.485 2.527 20 30 FFEDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000128444175 976856232 /nfs/dbraw/zinc/85/62/32/976856232.db2.gz IDCUQCKBLJFAKQ-HNNXBMFYSA-N 1 2 355.442 2.647 20 30 FFEDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000128444175 976856240 /nfs/dbraw/zinc/85/62/40/976856240.db2.gz IDCUQCKBLJFAKQ-HNNXBMFYSA-N 1 2 355.442 2.647 20 30 FFEDLO COc1cccc(C(=O)N2CCC([N@@H+]3CCC4SC(=O)C=C4C3)CC2)c1 ZINC001167871414 977085618 /nfs/dbraw/zinc/08/56/18/977085618.db2.gz VKHMIOQHQRTHGN-GOSISDBHSA-N 1 2 372.490 2.574 20 30 FFEDLO COc1cccc(C(=O)N2CCC([N@H+]3CCC4SC(=O)C=C4C3)CC2)c1 ZINC001167871414 977085627 /nfs/dbraw/zinc/08/56/27/977085627.db2.gz VKHMIOQHQRTHGN-GOSISDBHSA-N 1 2 372.490 2.574 20 30 FFEDLO COc1cccc(C(=O)N2CCC([N@@H+]3CC[C@H]4SC(=O)C=C4C3)CC2)c1 ZINC001167871414 977085636 /nfs/dbraw/zinc/08/56/36/977085636.db2.gz VKHMIOQHQRTHGN-GOSISDBHSA-N 1 2 372.490 2.574 20 30 FFEDLO COc1cccc(C(=O)N2CCC([N@H+]3CC[C@H]4SC(=O)C=C4C3)CC2)c1 ZINC001167871414 977085644 /nfs/dbraw/zinc/08/56/44/977085644.db2.gz VKHMIOQHQRTHGN-GOSISDBHSA-N 1 2 372.490 2.574 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)nn1 ZINC000653573837 1014379787 /nfs/dbraw/zinc/37/97/87/1014379787.db2.gz RHIFNTQJYCZZKK-UHFFFAOYSA-N 1 2 371.460 2.522 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@H]21 ZINC001075616129 977315381 /nfs/dbraw/zinc/31/53/81/977315381.db2.gz KPXWEGBVRRCNGV-JLJPHGGASA-N 1 2 368.412 2.673 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@H]21 ZINC001075616129 977315387 /nfs/dbraw/zinc/31/53/87/977315387.db2.gz KPXWEGBVRRCNGV-JLJPHGGASA-N 1 2 368.412 2.673 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2cc(F)ccc2F)CC1 ZINC000982173486 977322972 /nfs/dbraw/zinc/32/29/72/977322972.db2.gz OUYFIFZURICAKX-HKUYNNGSSA-N 1 2 364.436 2.980 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2cc(F)ccc2F)CC1 ZINC000982173486 977322980 /nfs/dbraw/zinc/32/29/80/977322980.db2.gz OUYFIFZURICAKX-HKUYNNGSSA-N 1 2 364.436 2.980 20 30 FFEDLO COC(=O)CC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)CC(C)C ZINC000728917967 977495788 /nfs/dbraw/zinc/49/57/88/977495788.db2.gz OZKQHWCEOJWXEH-AWEZNQCLSA-N 1 2 373.478 2.994 20 30 FFEDLO COC(=O)CC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)CC(C)C ZINC000728917967 977495791 /nfs/dbraw/zinc/49/57/91/977495791.db2.gz OZKQHWCEOJWXEH-AWEZNQCLSA-N 1 2 373.478 2.994 20 30 FFEDLO O=C(N[C@]12CCC[C@H]1C[N@H+](CC#Cc1ccccc1Cl)C2)C(F)F ZINC001098677130 977665271 /nfs/dbraw/zinc/66/52/71/977665271.db2.gz KNSWGCVYKTYSMG-KSSFIOAISA-N 1 2 352.812 2.927 20 30 FFEDLO O=C(N[C@]12CCC[C@H]1C[N@@H+](CC#Cc1ccccc1Cl)C2)C(F)F ZINC001098677130 977665279 /nfs/dbraw/zinc/66/52/79/977665279.db2.gz KNSWGCVYKTYSMG-KSSFIOAISA-N 1 2 352.812 2.927 20 30 FFEDLO C#CCCCc1nnc(N2CC[NH+](Cc3ccccn3)CC2)n1CC(C)C ZINC000909623602 979060383 /nfs/dbraw/zinc/06/03/83/979060383.db2.gz DTUMKZQYBRJFCE-UHFFFAOYSA-N 1 2 366.513 2.607 20 30 FFEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000121636907 979107500 /nfs/dbraw/zinc/10/75/00/979107500.db2.gz FLHAGVMCLKGFTK-LJQANCHMSA-N 1 2 351.406 2.666 20 30 FFEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000121636907 979107508 /nfs/dbraw/zinc/10/75/08/979107508.db2.gz FLHAGVMCLKGFTK-LJQANCHMSA-N 1 2 351.406 2.666 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)c4nnc(C)s4)C[C@H]32)cc1 ZINC001076119131 979126117 /nfs/dbraw/zinc/12/61/17/979126117.db2.gz AHWSFOLIXTXUNH-JEBQAFNWSA-N 1 2 366.490 2.735 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)c4nnc(C)s4)C[C@H]32)cc1 ZINC001076119131 979126124 /nfs/dbraw/zinc/12/61/24/979126124.db2.gz AHWSFOLIXTXUNH-JEBQAFNWSA-N 1 2 366.490 2.735 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccn(C(C)C)n4)C[C@H]32)cc1 ZINC001076119641 979128157 /nfs/dbraw/zinc/12/81/57/979128157.db2.gz OYFHTUJOYFEZPF-PZJWPPBQSA-N 1 2 362.477 2.792 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccn(C(C)C)n4)C[C@H]32)cc1 ZINC001076119641 979128160 /nfs/dbraw/zinc/12/81/60/979128160.db2.gz OYFHTUJOYFEZPF-PZJWPPBQSA-N 1 2 362.477 2.792 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C(F)F)CC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC001088439051 979517090 /nfs/dbraw/zinc/51/70/90/979517090.db2.gz KAEQUXMYAXJUBD-RISCZKNCSA-N 1 2 360.326 2.901 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C(F)F)CC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC001088439051 979517096 /nfs/dbraw/zinc/51/70/96/979517096.db2.gz KAEQUXMYAXJUBD-RISCZKNCSA-N 1 2 360.326 2.901 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(F)c4F)C[C@H]32)nc1 ZINC001076475703 979554821 /nfs/dbraw/zinc/55/48/21/979554821.db2.gz AJWRLZOOUGRTQX-HNAYVOBHSA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(F)c4F)C[C@H]32)nc1 ZINC001076475703 979554828 /nfs/dbraw/zinc/55/48/28/979554828.db2.gz AJWRLZOOUGRTQX-HNAYVOBHSA-N 1 2 367.399 2.688 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](OC)c3ccc(F)cc3)[C@@H]2C1 ZINC001076624807 979727198 /nfs/dbraw/zinc/72/71/98/979727198.db2.gz GPQVVZDYPPQQNK-UAGQMJEPSA-N 1 2 352.837 2.798 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](OC)c3ccc(F)cc3)[C@@H]2C1 ZINC001076624807 979727200 /nfs/dbraw/zinc/72/72/00/979727200.db2.gz GPQVVZDYPPQQNK-UAGQMJEPSA-N 1 2 352.837 2.798 20 30 FFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000668609677 981265423 /nfs/dbraw/zinc/26/54/23/981265423.db2.gz DMBIWCUZTNMYEV-SJLPKXTDSA-N 1 2 366.465 2.740 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@H]1OC ZINC001212036061 981464222 /nfs/dbraw/zinc/46/42/22/981464222.db2.gz HIXHPVGJDZQFOF-JCURWCKSSA-N 1 2 370.852 2.558 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@H]1OC ZINC001212036061 981464223 /nfs/dbraw/zinc/46/42/23/981464223.db2.gz HIXHPVGJDZQFOF-JCURWCKSSA-N 1 2 370.852 2.558 20 30 FFEDLO C=CCn1c(-c2cccn2C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000908642934 981488083 /nfs/dbraw/zinc/48/80/83/981488083.db2.gz ORKAGIHOUJNMFE-UHFFFAOYSA-N 1 2 363.469 2.946 20 30 FFEDLO N#Cc1ccc(-c2noc([C@@H]([NH3+])c3ccccc3Br)n2)nc1 ZINC001212091389 981627041 /nfs/dbraw/zinc/62/70/41/981627041.db2.gz SNMMFYUKJZSRRB-ZDUSSCGKSA-N 1 2 356.183 2.814 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nc(-c4ccoc4)no3)[C@@H]2C)C1 ZINC001088839764 981774209 /nfs/dbraw/zinc/77/42/09/981774209.db2.gz CUSJLKDMTMREAM-HIFRSBDPSA-N 1 2 356.426 2.765 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nc(-c4ccoc4)no3)[C@@H]2C)C1 ZINC001088839764 981774212 /nfs/dbraw/zinc/77/42/12/981774212.db2.gz CUSJLKDMTMREAM-HIFRSBDPSA-N 1 2 356.426 2.765 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2nc3c(o2)CCCC3)[C@@H]1C ZINC001088624053 982002992 /nfs/dbraw/zinc/00/29/92/982002992.db2.gz JSPIQDFTAYBQMG-CVEARBPZSA-N 1 2 368.481 2.934 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2nc3c(o2)CCCC3)[C@@H]1C ZINC001088624053 982002998 /nfs/dbraw/zinc/00/29/98/982002998.db2.gz JSPIQDFTAYBQMG-CVEARBPZSA-N 1 2 368.481 2.934 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cc(OC)ccc2OC)[C@H]1C ZINC001088636994 982073205 /nfs/dbraw/zinc/07/32/05/982073205.db2.gz JQOGHHPDWKLKHP-CJNGLKHVSA-N 1 2 352.862 2.578 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cc(OC)ccc2OC)[C@H]1C ZINC001088636994 982073211 /nfs/dbraw/zinc/07/32/11/982073211.db2.gz JQOGHHPDWKLKHP-CJNGLKHVSA-N 1 2 352.862 2.578 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2snnc2C2CC2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001088637676 982082962 /nfs/dbraw/zinc/08/29/62/982082962.db2.gz VCMSKZZNINKPMY-WBMJQRKESA-N 1 2 367.478 2.680 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2snnc2C2CC2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088637676 982082967 /nfs/dbraw/zinc/08/29/67/982082967.db2.gz VCMSKZZNINKPMY-WBMJQRKESA-N 1 2 367.478 2.680 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)COc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000764062967 984265861 /nfs/dbraw/zinc/26/58/61/984265861.db2.gz ABRIGWYWCKCASC-QUCCMNQESA-N 1 2 371.387 2.777 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)COc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000764062967 984265866 /nfs/dbraw/zinc/26/58/66/984265866.db2.gz ABRIGWYWCKCASC-QUCCMNQESA-N 1 2 371.387 2.777 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N(Cc2ccccc2)C2CC2)cc1 ZINC000060454645 984911216 /nfs/dbraw/zinc/91/12/16/984911216.db2.gz PBYNTLQUOMEGIP-UHFFFAOYSA-N 1 2 367.449 2.718 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ocnc2C2CC2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088856644 985040991 /nfs/dbraw/zinc/04/09/91/985040991.db2.gz ZEFYLSRQRFNOAQ-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ocnc2C2CC2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088856644 985041001 /nfs/dbraw/zinc/04/10/01/985041001.db2.gz ZEFYLSRQRFNOAQ-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@]1(c2cccc(C#N)c2)NC(=O)N(C[N@H+](Cc2ccccc2)C2CC2)C1=O ZINC000170637627 985100683 /nfs/dbraw/zinc/10/06/83/985100683.db2.gz JYBVVBGKBOLUSI-QFIPXVFZSA-N 1 2 374.444 2.947 20 30 FFEDLO C[C@@]1(c2cccc(C#N)c2)NC(=O)N(C[N@@H+](Cc2ccccc2)C2CC2)C1=O ZINC000170637627 985100687 /nfs/dbraw/zinc/10/06/87/985100687.db2.gz JYBVVBGKBOLUSI-QFIPXVFZSA-N 1 2 374.444 2.947 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)[C@H]1C ZINC001088873171 985232625 /nfs/dbraw/zinc/23/26/25/985232625.db2.gz JOPDCOJTNWRPQF-SYQHCUMBSA-N 1 2 353.260 2.871 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)[C@H]1C ZINC001088873171 985232635 /nfs/dbraw/zinc/23/26/35/985232635.db2.gz JOPDCOJTNWRPQF-SYQHCUMBSA-N 1 2 353.260 2.871 20 30 FFEDLO CC(C)(C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)C1CCCCC1 ZINC001077805794 985440143 /nfs/dbraw/zinc/44/01/43/985440143.db2.gz NDNFYGGXKXQEJI-NHCUHLMSSA-N 1 2 368.521 2.806 20 30 FFEDLO CC(C)(C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)C1CCCCC1 ZINC001077805794 985440147 /nfs/dbraw/zinc/44/01/47/985440147.db2.gz NDNFYGGXKXQEJI-NHCUHLMSSA-N 1 2 368.521 2.806 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc(C#N)ccc3F)CC2)cc1 ZINC000888351945 985484720 /nfs/dbraw/zinc/48/47/20/985484720.db2.gz CEYDDDKDJJALCD-UHFFFAOYSA-N 1 2 363.396 2.919 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cccc3[nH]cnc32)[C@H]1C ZINC001088935985 985508677 /nfs/dbraw/zinc/50/86/77/985508677.db2.gz LDMUYNJDYQVBBH-YPMHNXCESA-N 1 2 363.259 2.664 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH]cnc32)[C@H]1C ZINC001088935985 985508684 /nfs/dbraw/zinc/50/86/84/985508684.db2.gz LDMUYNJDYQVBBH-YPMHNXCESA-N 1 2 363.259 2.664 20 30 FFEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCOCC2)c(Br)n1 ZINC001212352359 985515789 /nfs/dbraw/zinc/51/57/89/985515789.db2.gz XHHMZXXDDRDEGE-UHFFFAOYSA-N 1 2 360.215 2.691 20 30 FFEDLO CCn1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)c1C ZINC001088936780 985520987 /nfs/dbraw/zinc/52/09/87/985520987.db2.gz CGNOBMYTFCQJMN-KUHUBIRLSA-N 1 2 369.444 2.615 20 30 FFEDLO CCn1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)c1C ZINC001088936780 985520994 /nfs/dbraw/zinc/52/09/94/985520994.db2.gz CGNOBMYTFCQJMN-KUHUBIRLSA-N 1 2 369.444 2.615 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)c(C)o1 ZINC001088938331 985538092 /nfs/dbraw/zinc/53/80/92/985538092.db2.gz ILFKLQIFMYEQHM-ACJLOTCBSA-N 1 2 355.413 2.675 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)c(C)o1 ZINC001088938331 985538093 /nfs/dbraw/zinc/53/80/93/985538093.db2.gz ILFKLQIFMYEQHM-ACJLOTCBSA-N 1 2 355.413 2.675 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]nc2C2CC2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088954383 985600421 /nfs/dbraw/zinc/60/04/21/985600421.db2.gz VWULRWVVSMMSPM-XIKOKIGWSA-N 1 2 367.428 2.691 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]nc2C2CC2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088954383 985600426 /nfs/dbraw/zinc/60/04/26/985600426.db2.gz VWULRWVVSMMSPM-XIKOKIGWSA-N 1 2 367.428 2.691 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncoc2C2CC2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088959863 985625975 /nfs/dbraw/zinc/62/59/75/985625975.db2.gz AXTHRKAUPQLKTM-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncoc2C2CC2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088959863 985625979 /nfs/dbraw/zinc/62/59/79/985625979.db2.gz AXTHRKAUPQLKTM-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1C)c1cccnc1 ZINC001088987946 985771314 /nfs/dbraw/zinc/77/13/14/985771314.db2.gz XTILCSPZBXERCJ-MDOVXXIYSA-N 1 2 366.440 2.975 20 30 FFEDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1C)c1cccnc1 ZINC001088987946 985771321 /nfs/dbraw/zinc/77/13/21/985771321.db2.gz XTILCSPZBXERCJ-MDOVXXIYSA-N 1 2 366.440 2.975 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccncc3Cl)[C@@H]2C)nc1 ZINC001088988185 985778359 /nfs/dbraw/zinc/77/83/59/985778359.db2.gz IZFXUTSCOLNYRR-DYVFJYSZSA-N 1 2 354.841 2.504 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccncc3Cl)[C@@H]2C)nc1 ZINC001088988185 985778364 /nfs/dbraw/zinc/77/83/64/985778364.db2.gz IZFXUTSCOLNYRR-DYVFJYSZSA-N 1 2 354.841 2.504 20 30 FFEDLO C[C@H]1C[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)[C@@H]1c1ccccc1 ZINC000173460284 985830967 /nfs/dbraw/zinc/83/09/67/985830967.db2.gz VWCITNWCZDNUAM-KKSFZXQISA-N 1 2 374.444 2.973 20 30 FFEDLO C[C@H]1C[N@@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)[C@@H]1c1ccccc1 ZINC000173460284 985830974 /nfs/dbraw/zinc/83/09/74/985830974.db2.gz VWCITNWCZDNUAM-KKSFZXQISA-N 1 2 374.444 2.973 20 30 FFEDLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1c1cccc(C#Cc2cccs2)c1 ZINC000672087377 986878124 /nfs/dbraw/zinc/87/81/24/986878124.db2.gz PMZLFPWOESBORL-KRWDZBQOSA-N 1 2 362.414 2.539 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3ccccc32)C1 ZINC001078116773 987013583 /nfs/dbraw/zinc/01/35/83/987013583.db2.gz QTLWZYDEWJSTEX-FGZHOGPDSA-N 1 2 371.440 2.687 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3ccccc32)C1 ZINC001078116773 987013592 /nfs/dbraw/zinc/01/35/92/987013592.db2.gz QTLWZYDEWJSTEX-FGZHOGPDSA-N 1 2 371.440 2.687 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001060993347 987169332 /nfs/dbraw/zinc/16/93/32/987169332.db2.gz RMWHHMHYCOZQPT-WDYCEAGBSA-N 1 2 370.497 2.515 20 30 FFEDLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@H]1COC(=O)CCc1ccc(C#N)cc1 ZINC000765948944 987277700 /nfs/dbraw/zinc/27/77/00/987277700.db2.gz IPPYYNGBRUTAOG-SFHVURJKSA-N 1 2 372.465 2.840 20 30 FFEDLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@H]1COC(=O)CCc1ccc(C#N)cc1 ZINC000765948944 987277707 /nfs/dbraw/zinc/27/77/07/987277707.db2.gz IPPYYNGBRUTAOG-SFHVURJKSA-N 1 2 372.465 2.840 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001061093979 987354646 /nfs/dbraw/zinc/35/46/46/987354646.db2.gz OAJNPIOFNKSDAE-BRWVUGGUSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001061093979 987354655 /nfs/dbraw/zinc/35/46/55/987354655.db2.gz OAJNPIOFNKSDAE-BRWVUGGUSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC001002846685 987529878 /nfs/dbraw/zinc/52/98/78/987529878.db2.gz IHBZMQSYRJYFFA-MOPGFXCFSA-N 1 2 360.502 2.526 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001031077286 987579197 /nfs/dbraw/zinc/57/91/97/987579197.db2.gz MGTNFFGAPOJFAR-ICSRJNTNSA-N 1 2 353.466 2.840 20 30 FFEDLO CC[NH+](CC)Cc1csc(NC(=O)COc2ccc(C#N)cc2OC)n1 ZINC000914840353 987936114 /nfs/dbraw/zinc/93/61/14/987936114.db2.gz XMIQXYJROWCCOZ-UHFFFAOYSA-N 1 2 374.466 2.883 20 30 FFEDLO CC(C)C[C@@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)n1cc[nH+]c1 ZINC001168716855 988262307 /nfs/dbraw/zinc/26/23/07/988262307.db2.gz SHECRGZHZQOSGD-IBGZPJMESA-N 1 2 351.454 2.691 20 30 FFEDLO COc1cc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)ccn1 ZINC000762461720 988384233 /nfs/dbraw/zinc/38/42/33/988384233.db2.gz GMPNFJQBMQEZHE-UHFFFAOYSA-N 1 2 364.405 2.901 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC001033432371 989571174 /nfs/dbraw/zinc/57/11/74/989571174.db2.gz NWCFJZVDQMWPPL-BBWFWOEESA-N 1 2 371.437 2.558 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC001033432371 989571188 /nfs/dbraw/zinc/57/11/88/989571188.db2.gz NWCFJZVDQMWPPL-BBWFWOEESA-N 1 2 371.437 2.558 20 30 FFEDLO C[C@H](C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000785473071 989669637 /nfs/dbraw/zinc/66/96/37/989669637.db2.gz CTUPHUSXGRIVKI-SJLPKXTDSA-N 1 2 358.486 2.782 20 30 FFEDLO CCN(C(=O)[C@H]1OCC[C@H]1C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033954915 989854060 /nfs/dbraw/zinc/85/40/60/989854060.db2.gz UMTBNLPINIGYLG-ZMYBRWDISA-N 1 2 359.445 2.545 20 30 FFEDLO CCN(C(=O)[C@H]1OCC[C@H]1C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033954915 989854072 /nfs/dbraw/zinc/85/40/72/989854072.db2.gz UMTBNLPINIGYLG-ZMYBRWDISA-N 1 2 359.445 2.545 20 30 FFEDLO C[C@]1(c2ccccc2)NC(=O)N(N=Cc2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000917027646 990096130 /nfs/dbraw/zinc/09/61/30/990096130.db2.gz LCSYOEJCAFOZCG-HXUWFJFHSA-N 1 2 359.389 2.673 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001061763023 990139863 /nfs/dbraw/zinc/13/98/63/990139863.db2.gz GFGBZWFXLPTFDV-JQHSSLGASA-N 1 2 370.497 2.586 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccccc2CC)C1 ZINC001108163592 990276809 /nfs/dbraw/zinc/27/68/09/990276809.db2.gz MOXAURPFCBUQHP-VWPQPMDRSA-N 1 2 354.494 2.583 20 30 FFEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccccc2CC)C1 ZINC001108163592 990276818 /nfs/dbraw/zinc/27/68/18/990276818.db2.gz MOXAURPFCBUQHP-VWPQPMDRSA-N 1 2 354.494 2.583 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(C[NH+]([C@@H](C)c3ncc(C)o3)C2)CC1 ZINC001035801018 990560055 /nfs/dbraw/zinc/56/00/55/990560055.db2.gz QOKXDVLFJFSGOO-BBWFWOEESA-N 1 2 359.470 2.560 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000154889566 990572658 /nfs/dbraw/zinc/57/26/58/990572658.db2.gz WQJIAJRNIDFMCM-OAHLLOKOSA-N 1 2 355.442 2.695 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000154889566 990572663 /nfs/dbraw/zinc/57/26/63/990572663.db2.gz WQJIAJRNIDFMCM-OAHLLOKOSA-N 1 2 355.442 2.695 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1n1ccnn1 ZINC001129238905 990618889 /nfs/dbraw/zinc/61/88/89/990618889.db2.gz LAMXHPVCZQVCQN-HBFSDRIKSA-N 1 2 371.460 2.561 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1n1ccnn1 ZINC001129238905 990618894 /nfs/dbraw/zinc/61/88/94/990618894.db2.gz LAMXHPVCZQVCQN-HBFSDRIKSA-N 1 2 371.460 2.561 20 30 FFEDLO C#CCCCCNC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000154964246 990626965 /nfs/dbraw/zinc/62/69/65/990626965.db2.gz FYFDETIZXADEKS-IBGZPJMESA-N 1 2 357.498 2.722 20 30 FFEDLO C=C(C)CCC(=O)N1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001487130865 990956735 /nfs/dbraw/zinc/95/67/35/990956735.db2.gz GTQNJKFKWUABIE-GVDBMIGSSA-N 1 2 358.486 2.757 20 30 FFEDLO C=C(C)CCC(=O)N1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001487130865 990956740 /nfs/dbraw/zinc/95/67/40/990956740.db2.gz GTQNJKFKWUABIE-GVDBMIGSSA-N 1 2 358.486 2.757 20 30 FFEDLO C=CCCCC(=O)N1C[C@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001487391065 991205515 /nfs/dbraw/zinc/20/55/15/991205515.db2.gz UGLJDVRPCOMZMG-NBJYBMASSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CCCCC(=O)N1C[C@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001487391065 991205524 /nfs/dbraw/zinc/20/55/24/991205524.db2.gz UGLJDVRPCOMZMG-NBJYBMASSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212320900 991670660 /nfs/dbraw/zinc/67/06/60/991670660.db2.gz IFMWPYRZAWFJFN-QZTJIDSGSA-N 1 2 359.495 2.704 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212320900 991670665 /nfs/dbraw/zinc/67/06/65/991670665.db2.gz IFMWPYRZAWFJFN-QZTJIDSGSA-N 1 2 359.495 2.704 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1OC ZINC001212337563 991726199 /nfs/dbraw/zinc/72/61/99/991726199.db2.gz UDVCRVWJXKDJAH-HZPDHXFCSA-N 1 2 367.877 2.646 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(C3CC3)no2)C[C@H]1OC ZINC001212337563 991726202 /nfs/dbraw/zinc/72/62/02/991726202.db2.gz UDVCRVWJXKDJAH-HZPDHXFCSA-N 1 2 367.877 2.646 20 30 FFEDLO COCC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001484824722 991765893 /nfs/dbraw/zinc/76/58/93/991765893.db2.gz QJJPAHMKONXDFA-FKBYEOEOSA-N 1 2 366.505 2.616 20 30 FFEDLO COCC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001484824722 991765906 /nfs/dbraw/zinc/76/59/06/991765906.db2.gz QJJPAHMKONXDFA-FKBYEOEOSA-N 1 2 366.505 2.616 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1ccccc1O ZINC001079433259 992113595 /nfs/dbraw/zinc/11/35/95/992113595.db2.gz QWSQTRSGEKOMRS-FZKQIMNGSA-N 1 2 353.397 2.653 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1ccccc1O ZINC001079433259 992113601 /nfs/dbraw/zinc/11/36/01/992113601.db2.gz QWSQTRSGEKOMRS-FZKQIMNGSA-N 1 2 353.397 2.653 20 30 FFEDLO Cc1ncoc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC001079535496 992172212 /nfs/dbraw/zinc/17/22/12/992172212.db2.gz XNNNJDQGJPAXIL-CXAGYDPISA-N 1 2 357.841 2.738 20 30 FFEDLO Cc1ncoc1C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC001079535496 992172216 /nfs/dbraw/zinc/17/22/16/992172216.db2.gz XNNNJDQGJPAXIL-CXAGYDPISA-N 1 2 357.841 2.738 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2F)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079594075 992245712 /nfs/dbraw/zinc/24/57/12/992245712.db2.gz YPXRCDAFQSMUOP-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2F)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079594075 992245721 /nfs/dbraw/zinc/24/57/21/992245721.db2.gz YPXRCDAFQSMUOP-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC001008796215 1015715184 /nfs/dbraw/zinc/71/51/84/1015715184.db2.gz UZKZIDJXVBVCPT-FHWLQOOXSA-N 1 2 361.461 2.673 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC001008796215 1015715188 /nfs/dbraw/zinc/71/51/88/1015715188.db2.gz UZKZIDJXVBVCPT-FHWLQOOXSA-N 1 2 361.461 2.673 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000879965823 1015720660 /nfs/dbraw/zinc/72/06/60/1015720660.db2.gz AXAAEMJRLQUBDQ-MRXNPFEDSA-N 1 2 365.518 2.742 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]1C ZINC001079978098 992639862 /nfs/dbraw/zinc/63/98/62/992639862.db2.gz VYGIRHHIKSIOKU-GDBMZVCRSA-N 1 2 357.479 2.958 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+](Cc2nccs2)C[C@H]1C ZINC001079978098 992639866 /nfs/dbraw/zinc/63/98/66/992639866.db2.gz VYGIRHHIKSIOKU-GDBMZVCRSA-N 1 2 357.479 2.958 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2nsc3ccccc23)C1 ZINC001032048254 992783706 /nfs/dbraw/zinc/78/37/06/992783706.db2.gz WOFCVKXQNXBUGM-LPHOPBHVSA-N 1 2 371.506 2.826 20 30 FFEDLO CCc1ncoc1C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC001080409308 993036723 /nfs/dbraw/zinc/03/67/23/993036723.db2.gz CHXPQLVTOKUVAN-RDTXWAMCSA-N 1 2 371.868 2.992 20 30 FFEDLO CCc1ncoc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC001080409308 993036731 /nfs/dbraw/zinc/03/67/31/993036731.db2.gz CHXPQLVTOKUVAN-RDTXWAMCSA-N 1 2 371.868 2.992 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C(F)(F)F)c2C)C1 ZINC001080552679 993157451 /nfs/dbraw/zinc/15/74/51/993157451.db2.gz DQFQILPIJDLFJX-GMSGAONNSA-N 1 2 350.772 2.540 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C(F)(F)F)c2C)C1 ZINC001080552679 993157456 /nfs/dbraw/zinc/15/74/56/993157456.db2.gz DQFQILPIJDLFJX-GMSGAONNSA-N 1 2 350.772 2.540 20 30 FFEDLO Cc1oc(C2CC2)nc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080690977 993284295 /nfs/dbraw/zinc/28/42/95/993284295.db2.gz RLZOIEFQHAWHEM-FZKQIMNGSA-N 1 2 364.449 2.982 20 30 FFEDLO Cc1oc(C2CC2)nc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080690977 993284300 /nfs/dbraw/zinc/28/43/00/993284300.db2.gz RLZOIEFQHAWHEM-FZKQIMNGSA-N 1 2 364.449 2.982 20 30 FFEDLO COc1ccsc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080822525 993395747 /nfs/dbraw/zinc/39/57/47/993395747.db2.gz DPXVTWKBOFTQAH-CZUORRHYSA-N 1 2 355.463 2.879 20 30 FFEDLO COc1ccsc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080822525 993395750 /nfs/dbraw/zinc/39/57/50/993395750.db2.gz DPXVTWKBOFTQAH-CZUORRHYSA-N 1 2 355.463 2.879 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cscc1C ZINC001081504925 993856947 /nfs/dbraw/zinc/85/69/47/993856947.db2.gz VLBBKYXAMDKDLF-RTBURBONSA-N 1 2 354.475 2.537 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cscc1C ZINC001081504925 993856953 /nfs/dbraw/zinc/85/69/53/993856953.db2.gz VLBBKYXAMDKDLF-RTBURBONSA-N 1 2 354.475 2.537 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)C=C1CCC1 ZINC001081519411 993866435 /nfs/dbraw/zinc/86/64/35/993866435.db2.gz CEWAMUKGXWTFEP-RTBURBONSA-N 1 2 358.869 2.617 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)C=C1CCC1 ZINC001081519411 993866440 /nfs/dbraw/zinc/86/64/40/993866440.db2.gz CEWAMUKGXWTFEP-RTBURBONSA-N 1 2 358.869 2.617 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@H]1C=CCCC1 ZINC001081846839 994016149 /nfs/dbraw/zinc/01/61/49/994016149.db2.gz KDFBWUDGSFUTNP-PWIZWCRZSA-N 1 2 353.466 2.620 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@H]1C=CCCC1 ZINC001081846839 994016160 /nfs/dbraw/zinc/01/61/60/994016160.db2.gz KDFBWUDGSFUTNP-PWIZWCRZSA-N 1 2 353.466 2.620 20 30 FFEDLO CCc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2OC)s1 ZINC001081909625 994035155 /nfs/dbraw/zinc/03/51/55/994035155.db2.gz CBYJLOFMGPRVEB-QZTJIDSGSA-N 1 2 369.490 2.811 20 30 FFEDLO CCc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2OC)s1 ZINC001081909625 994035161 /nfs/dbraw/zinc/03/51/61/994035161.db2.gz CBYJLOFMGPRVEB-QZTJIDSGSA-N 1 2 369.490 2.811 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@]12C[C@H]1CCCC2 ZINC001082114870 994198048 /nfs/dbraw/zinc/19/80/48/994198048.db2.gz UJFMFHNMJZIDPJ-XLBJILASSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@]12C[C@H]1CCCC2 ZINC001082114870 994198054 /nfs/dbraw/zinc/19/80/54/994198054.db2.gz UJFMFHNMJZIDPJ-XLBJILASSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001082152468 994209805 /nfs/dbraw/zinc/20/98/05/994209805.db2.gz NMGNEOPIWAEWPH-CWJKEVGVSA-N 1 2 372.484 2.675 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001082152468 994209817 /nfs/dbraw/zinc/20/98/17/994209817.db2.gz NMGNEOPIWAEWPH-CWJKEVGVSA-N 1 2 372.484 2.675 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cccc(C)c1C ZINC001082352626 994440847 /nfs/dbraw/zinc/44/08/47/994440847.db2.gz GMSAZPYAHYGBMC-NHCUHLMSSA-N 1 2 363.461 2.804 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cccc(C)c1C ZINC001082352626 994440853 /nfs/dbraw/zinc/44/08/53/994440853.db2.gz GMSAZPYAHYGBMC-NHCUHLMSSA-N 1 2 363.461 2.804 20 30 FFEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cn(Cc2ccccc2)nn1 ZINC001206069590 1032130704 /nfs/dbraw/zinc/13/07/04/1032130704.db2.gz MGTPZFQGKKSPTH-UHFFFAOYSA-N 1 2 361.449 2.847 20 30 FFEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cn(Cc2ccccc2)nn1 ZINC001206069590 1032130717 /nfs/dbraw/zinc/13/07/17/1032130717.db2.gz MGTPZFQGKKSPTH-UHFFFAOYSA-N 1 2 361.449 2.847 20 30 FFEDLO Cc1cccc(CNC(=O)[C@@H](C#N)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)c1 ZINC000810709030 994895666 /nfs/dbraw/zinc/89/56/66/994895666.db2.gz OARJANUAQDPCJW-OXJNMPFZSA-N 1 2 359.445 2.533 20 30 FFEDLO Cc1cccc(CNC(=O)[C@@H](C#N)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)c1 ZINC000810709030 994895676 /nfs/dbraw/zinc/89/56/76/994895676.db2.gz OARJANUAQDPCJW-OXJNMPFZSA-N 1 2 359.445 2.533 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3cc(C#N)ccc3C)C2)c1 ZINC001132593820 995020953 /nfs/dbraw/zinc/02/09/53/995020953.db2.gz BGMXFZOYJJILRI-HXUWFJFHSA-N 1 2 363.461 2.806 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3cc(C#N)ccc3C)C2)c1 ZINC001132593820 995020960 /nfs/dbraw/zinc/02/09/60/995020960.db2.gz BGMXFZOYJJILRI-HXUWFJFHSA-N 1 2 363.461 2.806 20 30 FFEDLO N#Cc1ccc(C(=O)COC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000811326801 995104170 /nfs/dbraw/zinc/10/41/70/995104170.db2.gz TVWGQJDLPWPCCW-UHFFFAOYSA-N 1 2 359.385 2.772 20 30 FFEDLO N#Cc1c2c(cn(C[N@@H+]3CC[C@@]4(C3)CCc3ccccc3O4)c1=O)CCC2 ZINC000811781461 995242341 /nfs/dbraw/zinc/24/23/41/995242341.db2.gz BLCUCUYKNJBDJM-JOCHJYFZSA-N 1 2 361.445 2.636 20 30 FFEDLO N#Cc1c2c(cn(C[N@H+]3CC[C@@]4(C3)CCc3ccccc3O4)c1=O)CCC2 ZINC000811781461 995242346 /nfs/dbraw/zinc/24/23/46/995242346.db2.gz BLCUCUYKNJBDJM-JOCHJYFZSA-N 1 2 361.445 2.636 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)c3nc(C4CC4)no3)C2)cc1 ZINC001082678716 995254694 /nfs/dbraw/zinc/25/46/94/995254694.db2.gz NMPMOXNHUFUUFZ-QWQRMKEZSA-N 1 2 364.449 2.740 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)CCC4CCC4)[C@H]3C2)s1 ZINC001083041434 996038188 /nfs/dbraw/zinc/03/81/88/996038188.db2.gz IOUBWNDDHXVPCE-ZWKOTPCHSA-N 1 2 359.495 2.612 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)CCC4CCC4)[C@H]3C2)s1 ZINC001083041434 996038194 /nfs/dbraw/zinc/03/81/94/996038194.db2.gz IOUBWNDDHXVPCE-ZWKOTPCHSA-N 1 2 359.495 2.612 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)C(F)=C4CCCC4)[C@H]3C2)cc1 ZINC001083049535 996047955 /nfs/dbraw/zinc/04/79/55/996047955.db2.gz WKZVXMLCCCRPTI-RBUKOAKNSA-N 1 2 369.440 2.767 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C(F)=C4CCCC4)[C@H]3C2)cc1 ZINC001083049535 996047958 /nfs/dbraw/zinc/04/79/58/996047958.db2.gz WKZVXMLCCCRPTI-RBUKOAKNSA-N 1 2 369.440 2.767 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2C1 ZINC001083135705 996101339 /nfs/dbraw/zinc/10/13/39/996101339.db2.gz NTYXDCXZQDAOJP-MAUKXSAKSA-N 1 2 358.825 2.635 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2C1 ZINC001083135705 996101343 /nfs/dbraw/zinc/10/13/43/996101343.db2.gz NTYXDCXZQDAOJP-MAUKXSAKSA-N 1 2 358.825 2.635 20 30 FFEDLO CC(C)c1ccc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)cc1 ZINC001083986999 996186606 /nfs/dbraw/zinc/18/66/06/996186606.db2.gz AYPCMNMJWFLQJV-YADHBBJMSA-N 1 2 362.473 2.637 20 30 FFEDLO CC(C)c1ccc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)cc1 ZINC001083986999 996186608 /nfs/dbraw/zinc/18/66/08/996186608.db2.gz AYPCMNMJWFLQJV-YADHBBJMSA-N 1 2 362.473 2.637 20 30 FFEDLO Cc1noc(C)c1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084181358 996311826 /nfs/dbraw/zinc/31/18/26/996311826.db2.gz MAMPOSMVWOUEAT-SJLPKXTDSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1noc(C)c1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084181358 996311832 /nfs/dbraw/zinc/31/18/32/996311832.db2.gz MAMPOSMVWOUEAT-SJLPKXTDSA-N 1 2 368.412 2.649 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[C@H]4CCCO4)[C@@H]3C2)c1 ZINC001084204516 996339644 /nfs/dbraw/zinc/33/96/44/996339644.db2.gz YNSJESFKYJENOB-YVWKXTFCSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)CC[C@H]4CCCO4)[C@@H]3C2)c1 ZINC001084204516 996339648 /nfs/dbraw/zinc/33/96/48/996339648.db2.gz YNSJESFKYJENOB-YVWKXTFCSA-N 1 2 371.456 2.689 20 30 FFEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Br)cc3)C[C@H]21 ZINC001084233235 996383662 /nfs/dbraw/zinc/38/36/62/996383662.db2.gz YGYDYOVOQNOETC-XNRPHZJLSA-N 1 2 362.271 2.641 20 30 FFEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(Br)cc3)C[C@H]21 ZINC001084233235 996383664 /nfs/dbraw/zinc/38/36/64/996383664.db2.gz YGYDYOVOQNOETC-XNRPHZJLSA-N 1 2 362.271 2.641 20 30 FFEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3cscc3Br)C[C@H]21 ZINC001084236750 996385914 /nfs/dbraw/zinc/38/59/14/996385914.db2.gz PRNDVWBRJLMOQD-MISXGVKJSA-N 1 2 368.300 2.703 20 30 FFEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3cscc3Br)C[C@H]21 ZINC001084236750 996385918 /nfs/dbraw/zinc/38/59/18/996385918.db2.gz PRNDVWBRJLMOQD-MISXGVKJSA-N 1 2 368.300 2.703 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C4CC(F)(F)C4)[C@@H]3C2)c(F)c1 ZINC001084269768 996415016 /nfs/dbraw/zinc/41/50/16/996415016.db2.gz HKQXBTOWOJZGHP-RHSMWYFYSA-N 1 2 363.383 2.775 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C4CC(F)(F)C4)[C@@H]3C2)c(F)c1 ZINC001084269768 996415018 /nfs/dbraw/zinc/41/50/18/996415018.db2.gz HKQXBTOWOJZGHP-RHSMWYFYSA-N 1 2 363.383 2.775 20 30 FFEDLO CCc1[nH]ccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084321376 996453436 /nfs/dbraw/zinc/45/34/36/996453436.db2.gz QUXSUSXYHLPUST-OXQOHEQNSA-N 1 2 366.440 2.934 20 30 FFEDLO CCc1[nH]ccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084321376 996453439 /nfs/dbraw/zinc/45/34/39/996453439.db2.gz QUXSUSXYHLPUST-OXQOHEQNSA-N 1 2 366.440 2.934 20 30 FFEDLO Cc1oc(-c2ccco2)nc1C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001084334222 996464122 /nfs/dbraw/zinc/46/41/22/996464122.db2.gz UJZFSNIFKCQMAA-SJLPKXTDSA-N 1 2 365.433 2.689 20 30 FFEDLO Cc1oc(-c2ccco2)nc1C[N@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001084334222 996464127 /nfs/dbraw/zinc/46/41/27/996464127.db2.gz UJZFSNIFKCQMAA-SJLPKXTDSA-N 1 2 365.433 2.689 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc4n(n3)CCC4)C[C@H]21 ZINC001084372279 996497720 /nfs/dbraw/zinc/49/77/20/996497720.db2.gz NQDLXXDSGSQJKY-RHSMWYFYSA-N 1 2 362.905 2.641 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc4n(n3)CCC4)C[C@H]21 ZINC001084372279 996497721 /nfs/dbraw/zinc/49/77/21/996497721.db2.gz NQDLXXDSGSQJKY-RHSMWYFYSA-N 1 2 362.905 2.641 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccc(OC)c(C)c3)[C@@H]2C1 ZINC001084404776 996547269 /nfs/dbraw/zinc/54/72/69/996547269.db2.gz OLDNZVYIYKIWNU-NVXWUHKLSA-N 1 2 364.873 2.668 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc(OC)c(C)c3)[C@@H]2C1 ZINC001084404776 996547270 /nfs/dbraw/zinc/54/72/70/996547270.db2.gz OLDNZVYIYKIWNU-NVXWUHKLSA-N 1 2 364.873 2.668 20 30 FFEDLO O=C(N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21)C1(C2CC2)CC1 ZINC001084433806 996586896 /nfs/dbraw/zinc/58/68/96/996586896.db2.gz IVEUERWAUQTVRO-YLJYHZDGSA-N 1 2 352.453 2.900 20 30 FFEDLO O=C(N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21)C1(C2CC2)CC1 ZINC001084433806 996586897 /nfs/dbraw/zinc/58/68/97/996586897.db2.gz IVEUERWAUQTVRO-YLJYHZDGSA-N 1 2 352.453 2.900 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4[nH]ccc4n3)[C@@H]2C1 ZINC001084516850 996637832 /nfs/dbraw/zinc/63/78/32/996637832.db2.gz LKMSEVMUTJBBOZ-DYESRHJHSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4[nH]ccc4n3)[C@@H]2C1 ZINC001084516850 996637835 /nfs/dbraw/zinc/63/78/35/996637835.db2.gz LKMSEVMUTJBBOZ-DYESRHJHSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cccc5n[nH]cc54)[C@@H]3C2)c1 ZINC001084565892 996680174 /nfs/dbraw/zinc/68/01/74/996680174.db2.gz ZCYJTCNMTIUWLE-DYESRHJHSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cccc5n[nH]cc54)[C@@H]3C2)c1 ZINC001084565892 996680178 /nfs/dbraw/zinc/68/01/78/996680178.db2.gz ZCYJTCNMTIUWLE-DYESRHJHSA-N 1 2 371.444 2.781 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4nc(C)cs4)C[C@H]32)cc1 ZINC001084567690 996681092 /nfs/dbraw/zinc/68/10/92/996681092.db2.gz DYRWNJVVKJOQPJ-QZTJIDSGSA-N 1 2 351.475 2.779 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4nc(C)cs4)C[C@H]32)cc1 ZINC001084567690 996681095 /nfs/dbraw/zinc/68/10/95/996681095.db2.gz DYRWNJVVKJOQPJ-QZTJIDSGSA-N 1 2 351.475 2.779 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3nc(-c4ccccc4)no3)C[C@H]21 ZINC001084578443 996693092 /nfs/dbraw/zinc/69/30/92/996693092.db2.gz YSRQGXLOYWTEGU-IAGOWNOFSA-N 1 2 366.465 2.982 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3nc(-c4ccccc4)no3)C[C@H]21 ZINC001084578443 996693094 /nfs/dbraw/zinc/69/30/94/996693094.db2.gz YSRQGXLOYWTEGU-IAGOWNOFSA-N 1 2 366.465 2.982 20 30 FFEDLO Cc1coc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)c1 ZINC001084594794 996714123 /nfs/dbraw/zinc/71/41/23/996714123.db2.gz YMDHQUYPAJFZOY-CRAIPNDOSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1coc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)c1 ZINC001084594794 996714128 /nfs/dbraw/zinc/71/41/28/996714128.db2.gz YMDHQUYPAJFZOY-CRAIPNDOSA-N 1 2 353.397 2.945 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](CC(=O)Nc4ccccc4)C[C@H]32)C1 ZINC001084645417 996758180 /nfs/dbraw/zinc/75/81/80/996758180.db2.gz UBACVZMAXGGMJO-SJLPKXTDSA-N 1 2 353.466 2.514 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)Nc4ccccc4)C[C@H]32)C1 ZINC001084645417 996758183 /nfs/dbraw/zinc/75/81/83/996758183.db2.gz UBACVZMAXGGMJO-SJLPKXTDSA-N 1 2 353.466 2.514 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N4CC=CC4)cc3)[C@@H]2C1 ZINC001084655991 996770059 /nfs/dbraw/zinc/77/00/59/996770059.db2.gz NMBPCGNNCPWWLJ-IEBWSBKVSA-N 1 2 357.885 2.962 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(N4CC=CC4)cc3)[C@@H]2C1 ZINC001084655991 996770066 /nfs/dbraw/zinc/77/00/66/996770066.db2.gz NMBPCGNNCPWWLJ-IEBWSBKVSA-N 1 2 357.885 2.962 20 30 FFEDLO CC(C)c1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)[nH]n1 ZINC001084677448 996841118 /nfs/dbraw/zinc/84/11/18/996841118.db2.gz NGUDTRWLFWRRCA-YLJYHZDGSA-N 1 2 363.465 2.751 20 30 FFEDLO CC(C)c1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)[nH]n1 ZINC001084677448 996841130 /nfs/dbraw/zinc/84/11/30/996841130.db2.gz NGUDTRWLFWRRCA-YLJYHZDGSA-N 1 2 363.465 2.751 20 30 FFEDLO C=CCOCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000679487595 1016076746 /nfs/dbraw/zinc/07/67/46/1016076746.db2.gz KBPXKRPRQXHKLC-MRXNPFEDSA-N 1 2 369.868 2.945 20 30 FFEDLO C=CCOCCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000679487595 1016076756 /nfs/dbraw/zinc/07/67/56/1016076756.db2.gz KBPXKRPRQXHKLC-MRXNPFEDSA-N 1 2 369.868 2.945 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@H]2C)CCC1 ZINC001090783761 997011100 /nfs/dbraw/zinc/01/11/00/997011100.db2.gz XLGMXQJPCMRICO-RHSMWYFYSA-N 1 2 352.482 2.797 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2c(F)cccc2Cl)C[C@H]1NC(=O)CSCC#N ZINC001206090146 1032138575 /nfs/dbraw/zinc/13/85/75/1032138575.db2.gz LLJKCHLHQUUKSX-IAQYHMDHSA-N 1 2 355.866 2.672 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2c(F)cccc2Cl)C[C@H]1NC(=O)CSCC#N ZINC001206090146 1032138583 /nfs/dbraw/zinc/13/85/83/1032138583.db2.gz LLJKCHLHQUUKSX-IAQYHMDHSA-N 1 2 355.866 2.672 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)c(C)o1 ZINC001084737697 997127610 /nfs/dbraw/zinc/12/76/10/997127610.db2.gz WWLLUOBAKLBOKU-QZTJIDSGSA-N 1 2 350.422 2.510 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)c(C)o1 ZINC001084737697 997127616 /nfs/dbraw/zinc/12/76/16/997127616.db2.gz WWLLUOBAKLBOKU-QZTJIDSGSA-N 1 2 350.422 2.510 20 30 FFEDLO C[C@@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)CCCOC1 ZINC001084744657 997168297 /nfs/dbraw/zinc/16/82/97/997168297.db2.gz QKRSRUUWKNDVLL-OZOXKJRCSA-N 1 2 371.456 2.547 20 30 FFEDLO C[C@@]1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)CCCOC1 ZINC001084744657 997168306 /nfs/dbraw/zinc/16/83/06/997168306.db2.gz QKRSRUUWKNDVLL-OZOXKJRCSA-N 1 2 371.456 2.547 20 30 FFEDLO CCCc1cc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)no1 ZINC001084750565 997189644 /nfs/dbraw/zinc/18/96/44/997189644.db2.gz UOSGYAGDGNPHQB-WIYYLYMNSA-N 1 2 363.461 2.825 20 30 FFEDLO CCCc1cc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)no1 ZINC001084750565 997189651 /nfs/dbraw/zinc/18/96/51/997189651.db2.gz UOSGYAGDGNPHQB-WIYYLYMNSA-N 1 2 363.461 2.825 20 30 FFEDLO CCc1onc(C)c1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084823726 997553989 /nfs/dbraw/zinc/55/39/89/997553989.db2.gz PHVMMNFMOVRKBO-CZUORRHYSA-N 1 2 370.478 2.825 20 30 FFEDLO CCc1onc(C)c1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084823726 997553996 /nfs/dbraw/zinc/55/39/96/997553996.db2.gz PHVMMNFMOVRKBO-CZUORRHYSA-N 1 2 370.478 2.825 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)c(NC(C)=O)c3)[C@@H]2C1 ZINC001084861745 997709503 /nfs/dbraw/zinc/70/95/03/997709503.db2.gz CPARBDAMIZCSQY-RHSMWYFYSA-N 1 2 365.836 2.683 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)c(NC(C)=O)c3)[C@@H]2C1 ZINC001084861745 997709513 /nfs/dbraw/zinc/70/95/13/997709513.db2.gz CPARBDAMIZCSQY-RHSMWYFYSA-N 1 2 365.836 2.683 20 30 FFEDLO Cc1cccc(S(=O)(=O)CCC[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c1 ZINC000844370787 997814013 /nfs/dbraw/zinc/81/40/13/997814013.db2.gz JLEHMVBQJGQPAL-HXUWFJFHSA-N 1 2 372.490 2.696 20 30 FFEDLO Cc1cccc(S(=O)(=O)CCC[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)c1 ZINC000844370787 997814023 /nfs/dbraw/zinc/81/40/23/997814023.db2.gz JLEHMVBQJGQPAL-HXUWFJFHSA-N 1 2 372.490 2.696 20 30 FFEDLO CC[C@H](C#N)Oc1cc(CNC(=O)C[C@H](C)n2cc[nH+]c2)ccc1OC ZINC000844385529 997848465 /nfs/dbraw/zinc/84/84/65/997848465.db2.gz NEADMMVCNHPDGZ-GOEBONIOSA-N 1 2 356.426 2.840 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cnccc3C)C[C@@H]21 ZINC001084911736 998035209 /nfs/dbraw/zinc/03/52/09/998035209.db2.gz XTYLAWCRGZCTAY-ZBFHGGJFSA-N 1 2 364.287 2.835 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnccc3C)C[C@@H]21 ZINC001084911736 998035219 /nfs/dbraw/zinc/03/52/19/998035219.db2.gz XTYLAWCRGZCTAY-ZBFHGGJFSA-N 1 2 364.287 2.835 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cn3c(cccc3C)n1)CC2 ZINC001137297419 1016195229 /nfs/dbraw/zinc/19/52/29/1016195229.db2.gz HCKMKYPQEVFCBF-UHFFFAOYSA-N 1 2 351.454 2.637 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cn3c(cccc3C)n1)CC2 ZINC001137297419 1016195237 /nfs/dbraw/zinc/19/52/37/1016195237.db2.gz HCKMKYPQEVFCBF-UHFFFAOYSA-N 1 2 351.454 2.637 20 30 FFEDLO O=C(C#CC1CC1)N1CC[C@H]2CC[N@H+](Cc3csc(C4CC4)n3)[C@H]2C1 ZINC001084937673 998223725 /nfs/dbraw/zinc/22/37/25/998223725.db2.gz RASWYFWJYQFOGB-QAPCUYQASA-N 1 2 355.507 2.857 20 30 FFEDLO O=C(C#CC1CC1)N1CC[C@H]2CC[N@@H+](Cc3csc(C4CC4)n3)[C@H]2C1 ZINC001084937673 998223737 /nfs/dbraw/zinc/22/37/37/998223737.db2.gz RASWYFWJYQFOGB-QAPCUYQASA-N 1 2 355.507 2.857 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2cc(F)ccc2C#N)O1 ZINC001049732809 1016214406 /nfs/dbraw/zinc/21/44/06/1016214406.db2.gz RJERTHCAUVRMHH-QRKUABHPSA-N 1 2 371.456 2.830 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2cc(F)ccc2C#N)O1 ZINC001049732809 1016214409 /nfs/dbraw/zinc/21/44/09/1016214409.db2.gz RJERTHCAUVRMHH-QRKUABHPSA-N 1 2 371.456 2.830 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1coc(C2CC2)n1 ZINC001049732604 1016214935 /nfs/dbraw/zinc/21/49/35/1016214935.db2.gz OLFOZKFHFRDFFJ-MKXGPGLRSA-N 1 2 371.481 2.708 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1coc(C2CC2)n1 ZINC001049732604 1016214943 /nfs/dbraw/zinc/21/49/43/1016214943.db2.gz OLFOZKFHFRDFFJ-MKXGPGLRSA-N 1 2 371.481 2.708 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000732062570 998434395 /nfs/dbraw/zinc/43/43/95/998434395.db2.gz STIFPHSUSVNHHE-HNNXBMFYSA-N 1 2 362.355 2.927 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000732062570 998434399 /nfs/dbraw/zinc/43/43/99/998434399.db2.gz STIFPHSUSVNHHE-HNNXBMFYSA-N 1 2 362.355 2.927 20 30 FFEDLO CCOC(=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171181306 998529399 /nfs/dbraw/zinc/52/93/99/998529399.db2.gz JODBHSMNTOJHIZ-MGPUTAFESA-N 1 2 352.434 2.959 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncc(C2CC2)o1 ZINC001049740013 1016230472 /nfs/dbraw/zinc/23/04/72/1016230472.db2.gz IMLMODDIAYPIEY-TVFCKZIOSA-N 1 2 371.481 2.708 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ncc(C2CC2)o1 ZINC001049740013 1016230482 /nfs/dbraw/zinc/23/04/82/1016230482.db2.gz IMLMODDIAYPIEY-TVFCKZIOSA-N 1 2 371.481 2.708 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C4CCC4)no3)[C@H]2C1 ZINC001085006321 998659090 /nfs/dbraw/zinc/65/90/90/998659090.db2.gz MQRZDUZAZAQUTO-ZBFHGGJFSA-N 1 2 358.486 2.972 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C4CCC4)no3)[C@H]2C1 ZINC001085006321 998659093 /nfs/dbraw/zinc/65/90/93/998659093.db2.gz MQRZDUZAZAQUTO-ZBFHGGJFSA-N 1 2 358.486 2.972 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000845921824 998681977 /nfs/dbraw/zinc/68/19/77/998681977.db2.gz RZOSEYIHVREHIH-HNNXBMFYSA-N 1 2 372.494 2.790 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001085024127 998701025 /nfs/dbraw/zinc/70/10/25/998701025.db2.gz XIDSBLUZEXZHAV-PLMTUMEDSA-N 1 2 371.529 2.947 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001085024127 998701029 /nfs/dbraw/zinc/70/10/29/998701029.db2.gz XIDSBLUZEXZHAV-PLMTUMEDSA-N 1 2 371.529 2.947 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001085024017 998701327 /nfs/dbraw/zinc/70/13/27/998701327.db2.gz NZDLOXLJNNTLMZ-IIMJZQEZSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001085024017 998701329 /nfs/dbraw/zinc/70/13/29/998701329.db2.gz NZDLOXLJNNTLMZ-IIMJZQEZSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](C/C(Cl)=C\Cl)[C@H]2C1 ZINC001085037573 998740800 /nfs/dbraw/zinc/74/08/00/998740800.db2.gz OTXJTYVJQDQPKR-PBPOOTCASA-N 1 2 359.297 2.819 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](C/C(Cl)=C\Cl)[C@H]2C1 ZINC001085037573 998740804 /nfs/dbraw/zinc/74/08/04/998740804.db2.gz OTXJTYVJQDQPKR-PBPOOTCASA-N 1 2 359.297 2.819 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](C/C(Cl)=C/Cl)[C@H]2C1 ZINC001085037574 998741122 /nfs/dbraw/zinc/74/11/22/998741122.db2.gz OTXJTYVJQDQPKR-SUOMWEPCSA-N 1 2 359.297 2.819 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](C/C(Cl)=C/Cl)[C@H]2C1 ZINC001085037574 998741127 /nfs/dbraw/zinc/74/11/27/998741127.db2.gz OTXJTYVJQDQPKR-SUOMWEPCSA-N 1 2 359.297 2.819 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC34CC4)C[C@@H]21 ZINC001085042940 998758734 /nfs/dbraw/zinc/75/87/34/998758734.db2.gz XJTCXVGXVTZRFR-CCKFTAQKSA-N 1 2 353.441 2.920 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC34CC4)C[C@@H]21 ZINC001085042940 998758735 /nfs/dbraw/zinc/75/87/35/998758735.db2.gz XJTCXVGXVTZRFR-CCKFTAQKSA-N 1 2 353.441 2.920 20 30 FFEDLO CCn1cc(C[N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cn1 ZINC000733796801 999080702 /nfs/dbraw/zinc/08/07/02/999080702.db2.gz VZDBFTTXEWJICA-INIZCTEOSA-N 1 2 360.421 2.572 20 30 FFEDLO CCn1cc(C[N@@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cn1 ZINC000733796801 999080708 /nfs/dbraw/zinc/08/07/08/999080708.db2.gz VZDBFTTXEWJICA-INIZCTEOSA-N 1 2 360.421 2.572 20 30 FFEDLO CCn1cc(C[N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cn1 ZINC000733796802 999081122 /nfs/dbraw/zinc/08/11/22/999081122.db2.gz VZDBFTTXEWJICA-MRXNPFEDSA-N 1 2 360.421 2.572 20 30 FFEDLO CCn1cc(C[N@@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cn1 ZINC000733796802 999081126 /nfs/dbraw/zinc/08/11/26/999081126.db2.gz VZDBFTTXEWJICA-MRXNPFEDSA-N 1 2 360.421 2.572 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nc(C)[nH+]c(C)c1C ZINC001066196732 999141733 /nfs/dbraw/zinc/14/17/33/999141733.db2.gz YAWSEOGCTRPZQJ-YRXWBPOGSA-N 1 2 370.497 2.563 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1noc(C)n1 ZINC001085225633 999199573 /nfs/dbraw/zinc/19/95/73/999199573.db2.gz GDMIPCDBZDMDAT-NUEKZKHPSA-N 1 2 357.458 2.757 20 30 FFEDLO Cc1noc([C@H](C)O[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)n1 ZINC000736299479 999552353 /nfs/dbraw/zinc/55/23/53/999552353.db2.gz OBMNFCAFQJVXHO-LBPRGKRZSA-N 1 2 353.382 2.750 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066277277 999577134 /nfs/dbraw/zinc/57/71/34/999577134.db2.gz CRTNYZGHGVTFLF-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066277277 999577137 /nfs/dbraw/zinc/57/71/37/999577137.db2.gz CRTNYZGHGVTFLF-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1nc2ccccc2o1 ZINC001085599892 999586371 /nfs/dbraw/zinc/58/63/71/999586371.db2.gz DSJDGWKLPVOISZ-JZXOWHBKSA-N 1 2 369.465 2.842 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1nc2ccccc2o1 ZINC001085599892 999586376 /nfs/dbraw/zinc/58/63/76/999586376.db2.gz DSJDGWKLPVOISZ-JZXOWHBKSA-N 1 2 369.465 2.842 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001085650036 999602705 /nfs/dbraw/zinc/60/27/05/999602705.db2.gz GAMPQQUNBURUMX-SUMDDJOVSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001085650036 999602708 /nfs/dbraw/zinc/60/27/08/999602708.db2.gz GAMPQQUNBURUMX-SUMDDJOVSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001085733784 999619402 /nfs/dbraw/zinc/61/94/02/999619402.db2.gz PEFXCGMQMJSRGV-SCTDSRPQSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001085733784 999619404 /nfs/dbraw/zinc/61/94/04/999619404.db2.gz PEFXCGMQMJSRGV-SCTDSRPQSA-N 1 2 359.445 2.545 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001085735550 999620365 /nfs/dbraw/zinc/62/03/65/999620365.db2.gz KTZBTGFCHPKQLH-LVCYWYKZSA-N 1 2 353.466 2.790 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001085735550 999620367 /nfs/dbraw/zinc/62/03/67/999620367.db2.gz KTZBTGFCHPKQLH-LVCYWYKZSA-N 1 2 353.466 2.790 20 30 FFEDLO CC[N@H+](C)[C@@H](C(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000741150859 999711759 /nfs/dbraw/zinc/71/17/59/999711759.db2.gz ONDLFNYEHSRSDY-SJLPKXTDSA-N 1 2 371.481 2.954 20 30 FFEDLO CC[N@@H+](C)[C@@H](C(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000741150859 999711763 /nfs/dbraw/zinc/71/17/63/999711763.db2.gz ONDLFNYEHSRSDY-SJLPKXTDSA-N 1 2 371.481 2.954 20 30 FFEDLO CC[N@H+](C)[C@H](C(=O)OCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 ZINC000741150209 999712253 /nfs/dbraw/zinc/71/22/53/999712253.db2.gz AHJAYHPNTRZOPH-IBGZPJMESA-N 1 2 371.481 2.907 20 30 FFEDLO CC[N@@H+](C)[C@H](C(=O)OCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 ZINC000741150209 999712256 /nfs/dbraw/zinc/71/22/56/999712256.db2.gz AHJAYHPNTRZOPH-IBGZPJMESA-N 1 2 371.481 2.907 20 30 FFEDLO Cc1ncc(CO)c(/C=N/C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1O ZINC000741755091 999741408 /nfs/dbraw/zinc/74/14/08/999741408.db2.gz MZGGPVYFUQSMHS-YDZHTSKRSA-N 1 2 368.481 2.742 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ccn(C(F)F)n1 ZINC001095469402 1016372722 /nfs/dbraw/zinc/37/27/22/1016372722.db2.gz ITLROTRCGHQTEM-NJAFHUGGSA-N 1 2 370.403 2.665 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ccn(C(F)F)n1 ZINC001095469402 1016372731 /nfs/dbraw/zinc/37/27/31/1016372731.db2.gz ITLROTRCGHQTEM-NJAFHUGGSA-N 1 2 370.403 2.665 20 30 FFEDLO COC(=O)C1CCN(c2cc(NC34CCC(C#N)(CC3)CC4)[nH+]cn2)CC1 ZINC001169746325 1000073248 /nfs/dbraw/zinc/07/32/48/1000073248.db2.gz FAIQFIMCAIVGFG-UHFFFAOYSA-N 1 2 369.469 2.894 20 30 FFEDLO COC(=O)C1CCN(c2cc(NC34CCC(C#N)(CC3)CC4)nc[nH+]2)CC1 ZINC001169746325 1000073250 /nfs/dbraw/zinc/07/32/50/1000073250.db2.gz FAIQFIMCAIVGFG-UHFFFAOYSA-N 1 2 369.469 2.894 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1COc3ccccc3O1)C2 ZINC001095474837 1016384748 /nfs/dbraw/zinc/38/47/48/1016384748.db2.gz DCQLFEUSZCTUQK-WCVJEAGWSA-N 1 2 362.857 2.691 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1COc3ccccc3O1)C2 ZINC001095474837 1016384754 /nfs/dbraw/zinc/38/47/54/1016384754.db2.gz DCQLFEUSZCTUQK-WCVJEAGWSA-N 1 2 362.857 2.691 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1c2ccccc2C[C@H]1C ZINC001109058767 1000160965 /nfs/dbraw/zinc/16/09/65/1000160965.db2.gz KIAOKMJCBFJRMB-LBKNJMOBSA-N 1 2 367.493 2.652 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1c2ccccc2C[C@H]1C ZINC001109058767 1000160966 /nfs/dbraw/zinc/16/09/66/1000160966.db2.gz KIAOKMJCBFJRMB-LBKNJMOBSA-N 1 2 367.493 2.652 20 30 FFEDLO CC[C@@H](C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109162471 1000177467 /nfs/dbraw/zinc/17/74/67/1000177467.db2.gz MTFAEELDLWYDKT-OLQIXAPSSA-N 1 2 359.445 2.734 20 30 FFEDLO CC[C@@H](C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109162471 1000177469 /nfs/dbraw/zinc/17/74/69/1000177469.db2.gz MTFAEELDLWYDKT-OLQIXAPSSA-N 1 2 359.445 2.734 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCCC1 ZINC001109171505 1000179505 /nfs/dbraw/zinc/17/95/05/1000179505.db2.gz SKKJGRMPVDVHAK-AABGKKOBSA-N 1 2 373.541 2.741 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCCC1 ZINC001109171505 1000179506 /nfs/dbraw/zinc/17/95/06/1000179506.db2.gz SKKJGRMPVDVHAK-AABGKKOBSA-N 1 2 373.541 2.741 20 30 FFEDLO CC(C)(C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001109172568 1000181109 /nfs/dbraw/zinc/18/11/09/1000181109.db2.gz HYPFZRGZMSUMBC-QYZOEREBSA-N 1 2 358.457 2.714 20 30 FFEDLO CC(C)(C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001109172568 1000181111 /nfs/dbraw/zinc/18/11/11/1000181111.db2.gz HYPFZRGZMSUMBC-QYZOEREBSA-N 1 2 358.457 2.714 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccccc2n1C ZINC001109208635 1000186890 /nfs/dbraw/zinc/18/68/90/1000186890.db2.gz WOEUJIBRFSMFAY-AYBZRNKSSA-N 1 2 350.466 2.598 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccccc2n1C ZINC001109208635 1000186891 /nfs/dbraw/zinc/18/68/91/1000186891.db2.gz WOEUJIBRFSMFAY-AYBZRNKSSA-N 1 2 350.466 2.598 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109256231 1000203490 /nfs/dbraw/zinc/20/34/90/1000203490.db2.gz MFODBHXUDRWXEQ-YSHGAJCASA-N 1 2 367.493 2.785 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109256231 1000203492 /nfs/dbraw/zinc/20/34/92/1000203492.db2.gz MFODBHXUDRWXEQ-YSHGAJCASA-N 1 2 367.493 2.785 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1)C(C)C ZINC001109265592 1000206998 /nfs/dbraw/zinc/20/69/98/1000206998.db2.gz CPEGUZAUBKCILF-BTHPGYMESA-N 1 2 373.472 2.980 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1)C(C)C ZINC001109265592 1000207002 /nfs/dbraw/zinc/20/70/02/1000207002.db2.gz CPEGUZAUBKCILF-BTHPGYMESA-N 1 2 373.472 2.980 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001109283910 1000226307 /nfs/dbraw/zinc/22/63/07/1000226307.db2.gz ILHJVEWQGBTSQN-OIISXLGYSA-N 1 2 358.486 2.585 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(F)C(F)(F)F)C3)cc1 ZINC001109310334 1000256613 /nfs/dbraw/zinc/25/66/13/1000256613.db2.gz FGZWYNYMENIHCP-QPSCCSFWSA-N 1 2 355.335 2.680 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(F)C(F)(F)F)C3)cc1 ZINC001109310334 1000256619 /nfs/dbraw/zinc/25/66/19/1000256619.db2.gz FGZWYNYMENIHCP-QPSCCSFWSA-N 1 2 355.335 2.680 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cn(C)nc1C(F)F ZINC001109353031 1000297642 /nfs/dbraw/zinc/29/76/42/1000297642.db2.gz FZVKLUXEKASHTP-ILXRZTDVSA-N 1 2 352.429 2.936 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cn(C)nc1C(F)F ZINC001109353031 1000297645 /nfs/dbraw/zinc/29/76/45/1000297645.db2.gz FZVKLUXEKASHTP-ILXRZTDVSA-N 1 2 352.429 2.936 20 30 FFEDLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCCC[C@H]1Nc1cccc(F)c1C#N ZINC001091303649 1000389122 /nfs/dbraw/zinc/38/91/22/1000389122.db2.gz RSGMYODBVOYKLZ-QZTJIDSGSA-N 1 2 369.444 2.903 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)c1c(C)n[nH]c1C)C2 ZINC001109462242 1000507272 /nfs/dbraw/zinc/50/72/72/1000507272.db2.gz HAELLFQSTHCZOM-YVFQKMDQSA-N 1 2 350.894 2.994 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)c1c(C)n[nH]c1C)C2 ZINC001109462242 1000507276 /nfs/dbraw/zinc/50/72/76/1000507276.db2.gz HAELLFQSTHCZOM-YVFQKMDQSA-N 1 2 350.894 2.994 20 30 FFEDLO Cc1nc(N2C[C@@H](c3ccccc3)[C@H](NC(=O)C#CC(C)(C)C)C2)cc[nH+]1 ZINC001091527809 1000610367 /nfs/dbraw/zinc/61/03/67/1000610367.db2.gz MDBRCWVNROBEPW-RBUKOAKNSA-N 1 2 362.477 2.923 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3c(Cl)cc(O)cc3Cl)C2)OCC1=O ZINC001276164662 1016435541 /nfs/dbraw/zinc/43/55/41/1016435541.db2.gz FRKZTVVPCNQTKH-KRWDZBQOSA-N 1 2 371.264 2.688 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3c(Cl)cc(O)cc3Cl)C2)OCC1=O ZINC001276164662 1016435546 /nfs/dbraw/zinc/43/55/46/1016435546.db2.gz FRKZTVVPCNQTKH-KRWDZBQOSA-N 1 2 371.264 2.688 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)CCC(C)C ZINC001109605788 1000715640 /nfs/dbraw/zinc/71/56/40/1000715640.db2.gz QWCGXZFGGXJUAR-MHORFTMASA-N 1 2 363.546 2.861 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)CCC(C)C ZINC001109605788 1000715643 /nfs/dbraw/zinc/71/56/43/1000715643.db2.gz QWCGXZFGGXJUAR-MHORFTMASA-N 1 2 363.546 2.861 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCC1 ZINC001109634567 1000735581 /nfs/dbraw/zinc/73/55/81/1000735581.db2.gz QEIWYOMBSGMVAU-NQYYFHDYSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCC1 ZINC001109634567 1000735585 /nfs/dbraw/zinc/73/55/85/1000735585.db2.gz QEIWYOMBSGMVAU-NQYYFHDYSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1 ZINC001109631732 1000748405 /nfs/dbraw/zinc/74/84/05/1000748405.db2.gz LPRUPDFTSIODEO-LMCOJAPRSA-N 1 2 369.509 2.627 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1 ZINC001109631732 1000748411 /nfs/dbraw/zinc/74/84/11/1000748411.db2.gz LPRUPDFTSIODEO-LMCOJAPRSA-N 1 2 369.509 2.627 20 30 FFEDLO C[Si](C)(C)C#CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001146809893 1000759078 /nfs/dbraw/zinc/75/90/78/1000759078.db2.gz DVMGWXGLUIKNCU-UHFFFAOYSA-N 1 2 356.458 2.781 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)CCC)CC1 ZINC001109675811 1000816910 /nfs/dbraw/zinc/81/69/10/1000816910.db2.gz INJJMWDDVYBWIL-NQYYFHDYSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)CCC)CC1 ZINC001109675811 1000816916 /nfs/dbraw/zinc/81/69/16/1000816916.db2.gz INJJMWDDVYBWIL-NQYYFHDYSA-N 1 2 361.530 2.759 20 30 FFEDLO C[C@]12CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]1C[N@H+](C/C(Cl)=C/Cl)C2 ZINC001091613459 1000818767 /nfs/dbraw/zinc/81/87/67/1000818767.db2.gz YXGWAUQNEYSFEY-XILVQPLESA-N 1 2 353.253 2.599 20 30 FFEDLO C[C@]12CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]1C[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001091613459 1000818771 /nfs/dbraw/zinc/81/87/71/1000818771.db2.gz YXGWAUQNEYSFEY-XILVQPLESA-N 1 2 353.253 2.599 20 30 FFEDLO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3occc3s1)C2 ZINC001109714735 1000883589 /nfs/dbraw/zinc/88/35/89/1000883589.db2.gz USMUREOUVSEOPW-CRWXNKLISA-N 1 2 373.478 2.520 20 30 FFEDLO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3occc3s1)C2 ZINC001109714735 1000883596 /nfs/dbraw/zinc/88/35/96/1000883596.db2.gz USMUREOUVSEOPW-CRWXNKLISA-N 1 2 373.478 2.520 20 30 FFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001091640925 1000922100 /nfs/dbraw/zinc/92/21/00/1000922100.db2.gz WXMCLCVMLLGKTR-SOUVJXGZSA-N 1 2 369.444 2.996 20 30 FFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001091640925 1000922105 /nfs/dbraw/zinc/92/21/05/1000922105.db2.gz WXMCLCVMLLGKTR-SOUVJXGZSA-N 1 2 369.444 2.996 20 30 FFEDLO Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[C@@H](Nc3ccc(C#N)cn3)C2)c[nH+]1 ZINC001091647131 1000949797 /nfs/dbraw/zinc/94/97/97/1000949797.db2.gz JEDZLXRWBQAXJE-DOTOQJQBSA-N 1 2 366.469 2.590 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nncs3)C[C@@]2(C)C1 ZINC001091701492 1001090901 /nfs/dbraw/zinc/09/09/01/1001090901.db2.gz BRBPZPKDASNZEI-WBMJQRKESA-N 1 2 354.907 2.597 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nncs3)C[C@@]2(C)C1 ZINC001091701492 1001090908 /nfs/dbraw/zinc/09/09/08/1001090908.db2.gz BRBPZPKDASNZEI-WBMJQRKESA-N 1 2 354.907 2.597 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@@H](C)[C@H]1CCCNc1cc[nH+]c(C)n1 ZINC001091702563 1001094535 /nfs/dbraw/zinc/09/45/35/1001094535.db2.gz GGLWPMAEDFIGOO-MDYRTPRTSA-N 1 2 360.502 2.931 20 30 FFEDLO CN(CCCCCCNc1ccc(C#N)nc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001091751742 1001222245 /nfs/dbraw/zinc/22/22/45/1001222245.db2.gz PBYRGTQXDJTRDT-QZTJIDSGSA-N 1 2 366.469 2.911 20 30 FFEDLO CN(CCCCCCNc1ccc(C#N)nc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001091751742 1001222250 /nfs/dbraw/zinc/22/22/50/1001222250.db2.gz PBYRGTQXDJTRDT-QZTJIDSGSA-N 1 2 366.469 2.911 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CSCC#N)CCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC001091763312 1001253899 /nfs/dbraw/zinc/25/38/99/1001253899.db2.gz ZTSIAHGXHIVMHG-LSDHHAIUSA-N 1 2 361.515 2.639 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(F)ccc1Cl)C2 ZINC001276191571 1016502966 /nfs/dbraw/zinc/50/29/66/1016502966.db2.gz MLNYFUFAUPQAPG-SFHVURJKSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(F)ccc1Cl)C2 ZINC001276191571 1016502973 /nfs/dbraw/zinc/50/29/73/1016502973.db2.gz MLNYFUFAUPQAPG-SFHVURJKSA-N 1 2 352.837 2.716 20 30 FFEDLO CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001110318462 1001963622 /nfs/dbraw/zinc/96/36/22/1001963622.db2.gz PWPJYAGZRFUJHY-PIKADFDJSA-N 1 2 360.885 2.838 20 30 FFEDLO CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001110318462 1001963631 /nfs/dbraw/zinc/96/36/31/1001963631.db2.gz PWPJYAGZRFUJHY-PIKADFDJSA-N 1 2 360.885 2.838 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnc2ccc(Cl)nn12 ZINC001276225937 1016575530 /nfs/dbraw/zinc/57/55/30/1016575530.db2.gz ZTUNHCMKRHLCRB-HUUCEWRRSA-N 1 2 359.861 2.524 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cnc2ccc(Cl)nn12 ZINC001276225937 1016575544 /nfs/dbraw/zinc/57/55/44/1016575544.db2.gz ZTUNHCMKRHLCRB-HUUCEWRRSA-N 1 2 359.861 2.524 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@@H+]([C@H](C)c4nnc(CC)[nH]4)C[C@@]3(C)C2)C1 ZINC001091996428 1002203627 /nfs/dbraw/zinc/20/36/27/1002203627.db2.gz UWXDKSIHFDURMF-SXGZJXTBSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+]([C@H](C)c4nnc(CC)[nH]4)C[C@@]3(C)C2)C1 ZINC001091996428 1002203636 /nfs/dbraw/zinc/20/36/36/1002203636.db2.gz UWXDKSIHFDURMF-SXGZJXTBSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CC4)no3)C[C@@]2(C)C1 ZINC001091978447 1002238991 /nfs/dbraw/zinc/23/89/91/1002238991.db2.gz RMTDAAHOSIDOHK-YSGRDPCXSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CC4)no3)C[C@@]2(C)C1 ZINC001091978447 1002239002 /nfs/dbraw/zinc/23/90/02/1002239002.db2.gz RMTDAAHOSIDOHK-YSGRDPCXSA-N 1 2 358.486 2.830 20 30 FFEDLO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC001183850053 1002411561 /nfs/dbraw/zinc/41/15/61/1002411561.db2.gz QZFDPIHJANJTGD-HZPDHXFCSA-N 1 2 371.497 2.786 20 30 FFEDLO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC001183850053 1002411565 /nfs/dbraw/zinc/41/15/65/1002411565.db2.gz QZFDPIHJANJTGD-HZPDHXFCSA-N 1 2 371.497 2.786 20 30 FFEDLO C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001086588340 1002417748 /nfs/dbraw/zinc/41/77/48/1002417748.db2.gz QJADEOJFLNTIFF-HFSMHLIXSA-N 1 2 364.493 2.990 20 30 FFEDLO C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001086588340 1002417752 /nfs/dbraw/zinc/41/77/52/1002417752.db2.gz QJADEOJFLNTIFF-HFSMHLIXSA-N 1 2 364.493 2.990 20 30 FFEDLO CC(C)(C)OC(=O)N(CCC#N)CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001184845110 1002736243 /nfs/dbraw/zinc/73/62/43/1002736243.db2.gz FIXZXTPRGHUECE-UHFFFAOYSA-N 1 2 369.425 2.962 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)OCCCO3)C2 ZINC001095533642 1016666462 /nfs/dbraw/zinc/66/64/62/1016666462.db2.gz HIRQGAUMDLUOHK-PMPSAXMXSA-N 1 2 362.857 2.936 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)OCCCO3)C2 ZINC001095533642 1016666472 /nfs/dbraw/zinc/66/64/72/1016666472.db2.gz HIRQGAUMDLUOHK-PMPSAXMXSA-N 1 2 362.857 2.936 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(Cl)c1 ZINC001110366515 1003016340 /nfs/dbraw/zinc/01/63/40/1003016340.db2.gz ULJJEUFOPDPWTP-DZUCGIPZSA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(Cl)c1 ZINC001110366515 1003016352 /nfs/dbraw/zinc/01/63/52/1003016352.db2.gz ULJJEUFOPDPWTP-DZUCGIPZSA-N 1 2 363.889 2.938 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2[C@@H]4CCC[C@@H]42)C3)c(F)c1 ZINC001096929162 1016749383 /nfs/dbraw/zinc/74/93/83/1016749383.db2.gz VWLKPEFDRUFLJO-URTLRTLISA-N 1 2 353.441 2.965 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2[C@@H]4CCC[C@@H]42)C3)c(F)c1 ZINC001096929162 1016749392 /nfs/dbraw/zinc/74/93/92/1016749392.db2.gz VWLKPEFDRUFLJO-URTLRTLISA-N 1 2 353.441 2.965 20 30 FFEDLO Cc1[nH]ccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001096936805 1016761343 /nfs/dbraw/zinc/76/13/43/1016761343.db2.gz SFPVKPJTELFGKW-LZQZEXGQSA-N 1 2 352.413 2.869 20 30 FFEDLO Cc1[nH]ccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001096936805 1016761353 /nfs/dbraw/zinc/76/13/53/1016761353.db2.gz SFPVKPJTELFGKW-LZQZEXGQSA-N 1 2 352.413 2.869 20 30 FFEDLO Cc1cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)nc(C(C)C)[nH+]1 ZINC001054952075 1016769710 /nfs/dbraw/zinc/76/97/10/1016769710.db2.gz WBBRADUACNNTPM-PVAVHDDUSA-N 1 2 364.453 2.648 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccnc(C)n2)C1 ZINC001086624499 1003742301 /nfs/dbraw/zinc/74/23/01/1003742301.db2.gz HSOXUSDFAHYDRO-FUHWJXTLSA-N 1 2 356.857 2.735 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccnc(C)n2)C1 ZINC001086624499 1003742306 /nfs/dbraw/zinc/74/23/06/1003742306.db2.gz HSOXUSDFAHYDRO-FUHWJXTLSA-N 1 2 356.857 2.735 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)C[C@H]1O ZINC001196474269 1003780840 /nfs/dbraw/zinc/78/08/40/1003780840.db2.gz HOYQXJMTASPAJS-IAGOWNOFSA-N 1 2 350.890 2.912 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)C[C@H]1O ZINC001196474269 1003780845 /nfs/dbraw/zinc/78/08/45/1003780845.db2.gz HOYQXJMTASPAJS-IAGOWNOFSA-N 1 2 350.890 2.912 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2cccnc2)C3)c(F)c1 ZINC001096957792 1016827807 /nfs/dbraw/zinc/82/78/07/1016827807.db2.gz VBIILERVINDQDT-RLLQIKCJSA-N 1 2 364.424 2.557 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2cccnc2)C3)c(F)c1 ZINC001096957792 1016827818 /nfs/dbraw/zinc/82/78/18/1016827818.db2.gz VBIILERVINDQDT-RLLQIKCJSA-N 1 2 364.424 2.557 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCC2(F)F)C3)c(F)c1 ZINC001095597948 1016825599 /nfs/dbraw/zinc/82/55/99/1016825599.db2.gz HTMBBPWMOKUQHK-JHNDHUHGSA-N 1 2 363.383 2.964 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCC2(F)F)C3)c(F)c1 ZINC001095597948 1016825614 /nfs/dbraw/zinc/82/56/14/1016825614.db2.gz HTMBBPWMOKUQHK-JHNDHUHGSA-N 1 2 363.383 2.964 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cccc(Br)c2)C[C@H]1O ZINC001191715185 1003922672 /nfs/dbraw/zinc/92/26/72/1003922672.db2.gz SMTMIDRTLLPXEM-APHBMKBZSA-N 1 2 367.287 2.638 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cccc(Br)c2)C[C@H]1O ZINC001191715185 1003922678 /nfs/dbraw/zinc/92/26/78/1003922678.db2.gz SMTMIDRTLLPXEM-APHBMKBZSA-N 1 2 367.287 2.638 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)C1CCCCC1 ZINC001196854664 1003993336 /nfs/dbraw/zinc/99/33/36/1003993336.db2.gz UTKPEEZNDYKEBZ-VLCRHTCISA-N 1 2 368.521 2.806 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)C1CCCCC1 ZINC001196854664 1003993343 /nfs/dbraw/zinc/99/33/43/1003993343.db2.gz UTKPEEZNDYKEBZ-VLCRHTCISA-N 1 2 368.521 2.806 20 30 FFEDLO CCCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001192590466 1004207574 /nfs/dbraw/zinc/20/75/74/1004207574.db2.gz HSDPPVVOAMIABM-ATZDWAIDSA-N 1 2 362.901 2.679 20 30 FFEDLO CCCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001192590466 1004207580 /nfs/dbraw/zinc/20/75/80/1004207580.db2.gz HSDPPVVOAMIABM-ATZDWAIDSA-N 1 2 362.901 2.679 20 30 FFEDLO N#Cc1cccc(NC(=S)N2CCc3onc(Cn4cc[nH+]c4)c3C2)c1 ZINC001197689291 1004322459 /nfs/dbraw/zinc/32/24/59/1004322459.db2.gz UBYXHZJQDMAHRP-UHFFFAOYSA-N 1 2 364.434 2.546 20 30 FFEDLO CCC[N@@H+]1CCc2c(N)sc(NC(=O)c3cccc(C#N)c3O)c2C1 ZINC001193642223 1004533743 /nfs/dbraw/zinc/53/37/43/1004533743.db2.gz DHCFKRDCDTZVLY-UHFFFAOYSA-N 1 2 356.451 2.928 20 30 FFEDLO CCC[N@H+]1CCc2c(N)sc(NC(=O)c3cccc(C#N)c3O)c2C1 ZINC001193642223 1004533751 /nfs/dbraw/zinc/53/37/51/1004533751.db2.gz DHCFKRDCDTZVLY-UHFFFAOYSA-N 1 2 356.451 2.928 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnn1-c1ccccc1)C2 ZINC001095628543 1016888503 /nfs/dbraw/zinc/88/85/03/1016888503.db2.gz GPUIDABIYGZWAB-IKGGRYGDSA-N 1 2 356.857 2.960 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnn1-c1ccccc1)C2 ZINC001095628543 1016888517 /nfs/dbraw/zinc/88/85/17/1016888517.db2.gz GPUIDABIYGZWAB-IKGGRYGDSA-N 1 2 356.857 2.960 20 30 FFEDLO C#CCC(CC#C)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000807474005 1004614060 /nfs/dbraw/zinc/61/40/60/1004614060.db2.gz RDWRNIABZFSFOL-GOSISDBHSA-N 1 2 352.478 2.781 20 30 FFEDLO C#CCC(CC#C)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000807474005 1004614064 /nfs/dbraw/zinc/61/40/64/1004614064.db2.gz RDWRNIABZFSFOL-GOSISDBHSA-N 1 2 352.478 2.781 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCCOCC2)C3)c(F)c1 ZINC001097019342 1016905039 /nfs/dbraw/zinc/90/50/39/1016905039.db2.gz CSDNHCDWUBAFKT-QOJCHSLYSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCCOCC2)C3)c(F)c1 ZINC001097019342 1016905053 /nfs/dbraw/zinc/90/50/53/1016905053.db2.gz CSDNHCDWUBAFKT-QOJCHSLYSA-N 1 2 371.456 2.736 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2Cl)C[C@H]1O ZINC001195262848 1004926584 /nfs/dbraw/zinc/92/65/84/1004926584.db2.gz OWENQHYOKUAPQK-HUUCEWRRSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2Cl)C[C@H]1O ZINC001195262848 1004926586 /nfs/dbraw/zinc/92/65/86/1004926586.db2.gz OWENQHYOKUAPQK-HUUCEWRRSA-N 1 2 366.889 2.612 20 30 FFEDLO Cc1cc(C#N)cc(C(=O)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c1 ZINC001195411617 1004954257 /nfs/dbraw/zinc/95/42/57/1004954257.db2.gz NXPUGWKTSINDJE-GOSISDBHSA-N 1 2 364.449 2.762 20 30 FFEDLO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)C)C2 ZINC001110539567 1004990120 /nfs/dbraw/zinc/99/01/20/1004990120.db2.gz YQRKVZZCJWQLMH-CUDHKJQZSA-N 1 2 367.493 2.703 20 30 FFEDLO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)C)C2 ZINC001110539567 1004990122 /nfs/dbraw/zinc/99/01/22/1004990122.db2.gz YQRKVZZCJWQLMH-CUDHKJQZSA-N 1 2 367.493 2.703 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cc(C)[nH+]c(C3CC3)n2)cn1 ZINC001055065948 1016930613 /nfs/dbraw/zinc/93/06/13/1016930613.db2.gz PPQPTWSAWMLVHY-QYZOEREBSA-N 1 2 373.460 2.578 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnn(C(C)(C)C)c1 ZINC001110544121 1005053134 /nfs/dbraw/zinc/05/31/34/1005053134.db2.gz XNYAWCFFYWHCKB-KURKYZTESA-N 1 2 356.514 2.909 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnn(C(C)(C)C)c1 ZINC001110544121 1005053137 /nfs/dbraw/zinc/05/31/37/1005053137.db2.gz XNYAWCFFYWHCKB-KURKYZTESA-N 1 2 356.514 2.909 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1O ZINC001195923800 1005074295 /nfs/dbraw/zinc/07/42/95/1005074295.db2.gz MCHQZBCTTDFZND-SBHAEUEKSA-N 1 2 369.465 2.605 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1O ZINC001195923800 1005074300 /nfs/dbraw/zinc/07/43/00/1005074300.db2.gz MCHQZBCTTDFZND-SBHAEUEKSA-N 1 2 369.465 2.605 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(Cl)c2)C[C@H]1O ZINC001195923859 1005074873 /nfs/dbraw/zinc/07/48/73/1005074873.db2.gz NZVKZIRDKIWXJW-MDZRGWNJSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(Cl)c2)C[C@H]1O ZINC001195923859 1005074878 /nfs/dbraw/zinc/07/48/78/1005074878.db2.gz NZVKZIRDKIWXJW-MDZRGWNJSA-N 1 2 366.889 2.612 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCC(F)=C(F)F)cc1C#N ZINC001273828989 1005107148 /nfs/dbraw/zinc/10/71/48/1005107148.db2.gz WWQHZBNHNKSWGJ-OKILXGFUSA-N 1 2 366.387 2.930 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCC(F)=C(F)F)cc1C#N ZINC001273828989 1005107153 /nfs/dbraw/zinc/10/71/53/1005107153.db2.gz WWQHZBNHNKSWGJ-OKILXGFUSA-N 1 2 366.387 2.930 20 30 FFEDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC001201302905 1005196778 /nfs/dbraw/zinc/19/67/78/1005196778.db2.gz ADZJSFFAZGPSNN-KRWDZBQOSA-N 1 2 369.490 2.762 20 30 FFEDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC001201302905 1005196782 /nfs/dbraw/zinc/19/67/82/1005196782.db2.gz ADZJSFFAZGPSNN-KRWDZBQOSA-N 1 2 369.490 2.762 20 30 FFEDLO Cc1ccc(S(=O)(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1C#N ZINC001201313438 1005197842 /nfs/dbraw/zinc/19/78/42/1005197842.db2.gz XONKUEWIWSHBQW-UHFFFAOYSA-N 1 2 366.446 2.873 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C(F)F)CC2)C3)c1 ZINC001110563491 1005201057 /nfs/dbraw/zinc/20/10/57/1005201057.db2.gz IGDRZWYVTKPPPF-BMFZPTHFSA-N 1 2 363.383 2.964 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C(F)F)CC2)C3)c1 ZINC001110563491 1005201059 /nfs/dbraw/zinc/20/10/59/1005201059.db2.gz IGDRZWYVTKPPPF-BMFZPTHFSA-N 1 2 363.383 2.964 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C(F)F)CC2)C3)c(F)c1 ZINC001110563594 1005204268 /nfs/dbraw/zinc/20/42/68/1005204268.db2.gz OLMKGCVNVUAEEO-BMFZPTHFSA-N 1 2 363.383 2.964 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C(F)F)CC2)C3)c(F)c1 ZINC001110563594 1005204274 /nfs/dbraw/zinc/20/42/74/1005204274.db2.gz OLMKGCVNVUAEEO-BMFZPTHFSA-N 1 2 363.383 2.964 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776280435 1005346146 /nfs/dbraw/zinc/34/61/46/1005346146.db2.gz ZSCBALWSGUJCPB-WOJBJXKFSA-N 1 2 366.421 2.511 20 30 FFEDLO C=C(C)CCC(=O)NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC001488524165 1005359299 /nfs/dbraw/zinc/35/92/99/1005359299.db2.gz VPHRLVIWIOTRHZ-BFYDXBDKSA-N 1 2 360.502 2.527 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)NCCC)CC[C@@H]1c1ccccc1 ZINC001489089925 1005417717 /nfs/dbraw/zinc/41/77/17/1005417717.db2.gz DDSXHDWIAIXTPH-RTBURBONSA-N 1 2 371.525 2.699 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCCC)CC[C@@H]1c1ccccc1 ZINC001489089925 1005417719 /nfs/dbraw/zinc/41/77/19/1005417719.db2.gz DDSXHDWIAIXTPH-RTBURBONSA-N 1 2 371.525 2.699 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC001489256567 1005440407 /nfs/dbraw/zinc/44/04/07/1005440407.db2.gz DHFTWTLQZHUQCI-SOLBZPMBSA-N 1 2 366.465 2.610 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(C)cc2)[C@@H]1C ZINC001489262089 1005442746 /nfs/dbraw/zinc/44/27/46/1005442746.db2.gz YZWHVPHTBVJGRT-MJGOQNOKSA-N 1 2 355.482 2.706 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C)cc2)[C@@H]1C ZINC001489262089 1005442748 /nfs/dbraw/zinc/44/27/48/1005442748.db2.gz YZWHVPHTBVJGRT-MJGOQNOKSA-N 1 2 355.482 2.706 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3C)C[C@H]21 ZINC001187569669 1006156834 /nfs/dbraw/zinc/15/68/34/1006156834.db2.gz VUJYMUNCAJJDHL-AZUAARDMSA-N 1 2 367.493 2.660 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccccc3C)C[C@H]21 ZINC001187569669 1006156844 /nfs/dbraw/zinc/15/68/44/1006156844.db2.gz VUJYMUNCAJJDHL-AZUAARDMSA-N 1 2 367.493 2.660 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nnc(CC(C)C)o3)C[C@H]21 ZINC001187706455 1006207150 /nfs/dbraw/zinc/20/71/50/1006207150.db2.gz JUURQVYEYYGHNI-IXDOHACOSA-N 1 2 358.486 2.665 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nnc(CC(C)C)o3)C[C@H]21 ZINC001187706455 1006207156 /nfs/dbraw/zinc/20/71/56/1006207156.db2.gz JUURQVYEYYGHNI-IXDOHACOSA-N 1 2 358.486 2.665 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1oc3c(cccc3F)c1C)C2 ZINC001110664932 1006381651 /nfs/dbraw/zinc/38/16/51/1006381651.db2.gz FKTJJXJBBOYWPX-OLMNPRSZSA-N 1 2 370.424 2.865 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1oc3c(cccc3F)c1C)C2 ZINC001110664932 1006381662 /nfs/dbraw/zinc/38/16/62/1006381662.db2.gz FKTJJXJBBOYWPX-OLMNPRSZSA-N 1 2 370.424 2.865 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000853541564 1006436983 /nfs/dbraw/zinc/43/69/83/1006436983.db2.gz SZWPZEHHDPLIMK-QGZVFWFLSA-N 1 2 353.470 2.997 20 30 FFEDLO COC(=O)c1ccc(N[NH+]=C(C)c2cc([N+](=O)[O-])ccc2N)c(OC)c1 ZINC000814887097 1006459260 /nfs/dbraw/zinc/45/92/60/1006459260.db2.gz IIOOABJKFXTICF-UHFFFAOYSA-N 1 2 358.354 2.808 20 30 FFEDLO N#CCc1cccc(C(=O)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c1 ZINC001188667301 1006687353 /nfs/dbraw/zinc/68/73/53/1006687353.db2.gz HQHXUVGDNBNSAD-GOSISDBHSA-N 1 2 364.449 2.648 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cnc3cccc(C)n13)CCC2 ZINC001137193927 1006930584 /nfs/dbraw/zinc/93/05/84/1006930584.db2.gz JQPMQOIXFLXAOK-UHFFFAOYSA-N 1 2 351.454 2.948 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cnc3cccc(C)n13)CCC2 ZINC001137193927 1006930594 /nfs/dbraw/zinc/93/05/94/1006930594.db2.gz JQPMQOIXFLXAOK-UHFFFAOYSA-N 1 2 351.454 2.948 20 30 FFEDLO CSc1ccc(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1C#N ZINC000884049986 1007180362 /nfs/dbraw/zinc/18/03/62/1007180362.db2.gz KZDDXQBOVIYNGJ-UHFFFAOYSA-N 1 2 369.494 2.855 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000884076186 1007218598 /nfs/dbraw/zinc/21/85/98/1007218598.db2.gz UHAHJTMMWYRFAX-LPHOPBHVSA-N 1 2 366.461 2.770 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000884152371 1007273818 /nfs/dbraw/zinc/27/38/18/1007273818.db2.gz JCBRRLBGVUAGBH-PMACEKPBSA-N 1 2 364.445 2.759 20 30 FFEDLO N#Cc1ccc(CC(=O)OCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000817183126 1007462522 /nfs/dbraw/zinc/46/25/22/1007462522.db2.gz UFFWATSVXBFOEY-UHFFFAOYSA-N 1 2 350.418 2.676 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccnc(F)c3F)CC2)cc1 ZINC000856917055 1008012238 /nfs/dbraw/zinc/01/22/38/1008012238.db2.gz BKOSENTXLOGOKQ-UHFFFAOYSA-N 1 2 357.364 2.581 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000819275918 1008097779 /nfs/dbraw/zinc/09/77/79/1008097779.db2.gz WPISZSAJAQIIND-CQSZACIVSA-N 1 2 357.414 2.860 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858047003 1008288212 /nfs/dbraw/zinc/28/82/12/1008288212.db2.gz HQYZEBUHUBFMNU-AZUAARDMSA-N 1 2 362.433 2.510 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858047003 1008288214 /nfs/dbraw/zinc/28/82/14/1008288214.db2.gz HQYZEBUHUBFMNU-AZUAARDMSA-N 1 2 362.433 2.510 20 30 FFEDLO Cn1nccc1C([NH2+]Cc1cccc(OCCCC#N)c1)c1ccnn1C ZINC000858321698 1008345646 /nfs/dbraw/zinc/34/56/46/1008345646.db2.gz MBIZPDPRPOFOPL-UHFFFAOYSA-N 1 2 364.453 2.715 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1scnc1C1CCCC1)C2 ZINC001110771242 1008503579 /nfs/dbraw/zinc/50/35/79/1008503579.db2.gz NLBRTGNNCSBKGZ-ZACQAIPSSA-N 1 2 373.522 2.786 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1scnc1C1CCCC1)C2 ZINC001110771242 1008503583 /nfs/dbraw/zinc/50/35/83/1008503583.db2.gz NLBRTGNNCSBKGZ-ZACQAIPSSA-N 1 2 373.522 2.786 20 30 FFEDLO N#Cc1ccc(C2(C(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)CCCC2)cc1 ZINC000859662358 1008610532 /nfs/dbraw/zinc/61/05/32/1008610532.db2.gz WTDBKMUIVXFFJK-HXUWFJFHSA-N 1 2 367.493 2.693 20 30 FFEDLO C#CC[C@@H]([NH2+]CC1(CCC)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC ZINC000822490285 1008620052 /nfs/dbraw/zinc/62/00/52/1008620052.db2.gz TZUCMEYLTCHDNB-MRXNPFEDSA-N 1 2 366.502 2.958 20 30 FFEDLO CCOC(=O)c1ccc(NC(=[NH2+])c2ccc(C(=O)OC)cc2)cc1OC ZINC001170989447 1008658736 /nfs/dbraw/zinc/65/87/36/1008658736.db2.gz WKFBBMMDQSWIKG-UHFFFAOYSA-N 1 2 356.378 2.696 20 30 FFEDLO N#C[C@@H](Cc1cccs1)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001177908310 1008780992 /nfs/dbraw/zinc/78/09/92/1008780992.db2.gz ALPWRBBGQHVSTC-QGZVFWFLSA-N 1 2 369.490 2.654 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c(C#N)c1C ZINC000860099037 1008835552 /nfs/dbraw/zinc/83/55/52/1008835552.db2.gz XHTBTCYXYQRCTF-LLVKDONJSA-N 1 2 364.446 2.552 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c(C#N)c1C ZINC000860099037 1008835572 /nfs/dbraw/zinc/83/55/72/1008835572.db2.gz XHTBTCYXYQRCTF-LLVKDONJSA-N 1 2 364.446 2.552 20 30 FFEDLO CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000860174605 1008874457 /nfs/dbraw/zinc/87/44/57/1008874457.db2.gz ALOPPEYTQDOTFL-HXUWFJFHSA-N 1 2 370.497 2.541 20 30 FFEDLO CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000860174605 1008874475 /nfs/dbraw/zinc/87/44/75/1008874475.db2.gz ALOPPEYTQDOTFL-HXUWFJFHSA-N 1 2 370.497 2.541 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Br)c(F)c2)C[C@H]1C ZINC001206662458 1032377912 /nfs/dbraw/zinc/37/79/12/1032377912.db2.gz KOECUKARQCZSQB-UEKVPHQBSA-N 1 2 368.250 2.684 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Br)c(F)c2)C[C@H]1C ZINC001206662458 1032377918 /nfs/dbraw/zinc/37/79/18/1032377918.db2.gz KOECUKARQCZSQB-UEKVPHQBSA-N 1 2 368.250 2.684 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CCOc2c(Cl)cccc2Cl)C[C@H]1C ZINC001206659038 1032377953 /nfs/dbraw/zinc/37/79/53/1032377953.db2.gz AZTRPRHWJDIGBX-YWPYICTPSA-N 1 2 370.280 2.968 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](CCOc2c(Cl)cccc2Cl)C[C@H]1C ZINC001206659038 1032377960 /nfs/dbraw/zinc/37/79/60/1032377960.db2.gz AZTRPRHWJDIGBX-YWPYICTPSA-N 1 2 370.280 2.968 20 30 FFEDLO COc1cc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)ccc1C#N ZINC000823559908 1009129976 /nfs/dbraw/zinc/12/99/76/1009129976.db2.gz VKKKYIIXVLJHLI-UHFFFAOYSA-N 1 2 364.449 2.567 20 30 FFEDLO Cc1cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)(C)C)C3)nc(C2CC2)[nH+]1 ZINC001092967445 1009522627 /nfs/dbraw/zinc/52/26/27/1009522627.db2.gz WUTDWLLHXUPMJT-ZACQAIPSSA-N 1 2 352.482 2.938 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001093033463 1009700540 /nfs/dbraw/zinc/70/05/40/1009700540.db2.gz XOLQLTJWPWUCDS-WIRSXHRWSA-N 1 2 372.513 2.802 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001093114975 1009894888 /nfs/dbraw/zinc/89/48/88/1009894888.db2.gz ZZSUYRBNNGYELV-ZIAGYGMSSA-N 1 2 354.376 2.780 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC(F)F)C3)c(F)c1 ZINC001110822974 1009911105 /nfs/dbraw/zinc/91/11/05/1009911105.db2.gz ACDYAZCFXUXSLX-BMFZPTHFSA-N 1 2 351.372 2.964 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC(F)F)C3)c(F)c1 ZINC001110822974 1009911114 /nfs/dbraw/zinc/91/11/14/1009911114.db2.gz ACDYAZCFXUXSLX-BMFZPTHFSA-N 1 2 351.372 2.964 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000826697256 1010426030 /nfs/dbraw/zinc/42/60/30/1010426030.db2.gz ZBQVLAUABWOPSR-OAHLLOKOSA-N 1 2 360.339 2.889 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000826697256 1010426041 /nfs/dbraw/zinc/42/60/41/1010426041.db2.gz ZBQVLAUABWOPSR-OAHLLOKOSA-N 1 2 360.339 2.889 20 30 FFEDLO C#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000120468696 1010754485 /nfs/dbraw/zinc/75/44/85/1010754485.db2.gz POGNLTYQDWVRHT-HNNXBMFYSA-N 1 2 354.385 2.633 20 30 FFEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)c(C)c1 ZINC001206939444 1032513977 /nfs/dbraw/zinc/51/39/77/1032513977.db2.gz FMMKOARJPOUTLA-WSTZPKSXSA-N 1 2 369.509 2.726 20 30 FFEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)c(C)c1 ZINC001206939444 1032513981 /nfs/dbraw/zinc/51/39/81/1032513981.db2.gz FMMKOARJPOUTLA-WSTZPKSXSA-N 1 2 369.509 2.726 20 30 FFEDLO CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cccc(C#N)c3O)C2)ncn1 ZINC000866296176 1010973056 /nfs/dbraw/zinc/97/30/56/1010973056.db2.gz OLQQLFXVCFTFSB-YOEHRIQHSA-N 1 2 351.454 2.936 20 30 FFEDLO C[C@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1cccc(C#N)c1O ZINC000866575743 1011018744 /nfs/dbraw/zinc/01/87/44/1011018744.db2.gz CVKFIMASYPJTAG-AWEZNQCLSA-N 1 2 350.422 2.640 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001110862203 1011263209 /nfs/dbraw/zinc/26/32/09/1011263209.db2.gz CKDITKFGUQHKTD-XSYGEPLQSA-N 1 2 361.461 2.671 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001110862203 1011263221 /nfs/dbraw/zinc/26/32/21/1011263221.db2.gz CKDITKFGUQHKTD-XSYGEPLQSA-N 1 2 361.461 2.671 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000644967186 1011288350 /nfs/dbraw/zinc/28/83/50/1011288350.db2.gz RWMHYYLSINJJBD-BQFCYCMXSA-N 1 2 358.486 2.700 20 30 FFEDLO Cc1cc(CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc(C)[nH+]1 ZINC000868715391 1011437482 /nfs/dbraw/zinc/43/74/82/1011437482.db2.gz NIOVLQXQVVSRTM-UHFFFAOYSA-N 1 2 367.428 2.741 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2nccc(Cl)n2)C[C@H]1C#N ZINC001172984963 1012153799 /nfs/dbraw/zinc/15/37/99/1012153799.db2.gz NQJUCHICMHJDNW-NEPJUHHUSA-N 1 2 351.838 2.511 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c[nH]c(Br)c1 ZINC001276751734 1032605143 /nfs/dbraw/zinc/60/51/43/1032605143.db2.gz XSAUWYZTCPFTQW-MRXNPFEDSA-N 1 2 352.276 2.920 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c[nH]c(Br)c1 ZINC001276751734 1032605151 /nfs/dbraw/zinc/60/51/51/1032605151.db2.gz XSAUWYZTCPFTQW-MRXNPFEDSA-N 1 2 352.276 2.920 20 30 FFEDLO N#Cc1cccc(CN2C[C@]3(CC2=O)CCCC[N@@H+]3Cc2ncco2)c1 ZINC001275430201 1012456415 /nfs/dbraw/zinc/45/64/15/1012456415.db2.gz JOHCXRBLLSIYQD-HXUWFJFHSA-N 1 2 350.422 2.703 20 30 FFEDLO N#Cc1cccc(CN2C[C@]3(CC2=O)CCCC[N@H+]3Cc2ncco2)c1 ZINC001275430201 1012456432 /nfs/dbraw/zinc/45/64/32/1012456432.db2.gz JOHCXRBLLSIYQD-HXUWFJFHSA-N 1 2 350.422 2.703 20 30 FFEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1n[nH]c3ccc(Cl)cc13)CC2 ZINC001275461600 1012490023 /nfs/dbraw/zinc/49/00/23/1012490023.db2.gz ZZZZVBBFSBHIDC-OAHLLOKOSA-N 1 2 356.857 2.568 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cscn2)C3)c1 ZINC001095235224 1012806007 /nfs/dbraw/zinc/80/60/07/1012806007.db2.gz LHULZKRTTVFRBZ-KMFMINBZSA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cscn2)C3)c1 ZINC001095235224 1012806025 /nfs/dbraw/zinc/80/60/25/1012806025.db2.gz LHULZKRTTVFRBZ-KMFMINBZSA-N 1 2 356.426 2.689 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(Cl)ccc1Cl)C2 ZINC001275723941 1012928900 /nfs/dbraw/zinc/92/89/00/1012928900.db2.gz KGLXMWNYXNDFOK-SFHVURJKSA-N 1 2 367.276 2.678 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(Cl)ccc1Cl)C2 ZINC001275723941 1012928914 /nfs/dbraw/zinc/92/89/14/1012928914.db2.gz KGLXMWNYXNDFOK-SFHVURJKSA-N 1 2 367.276 2.678 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)n1)c1ccccc1 ZINC001111443830 1017139869 /nfs/dbraw/zinc/13/98/69/1017139869.db2.gz XZSYDSFQMGICRF-WCIQWLHISA-N 1 2 350.466 2.611 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(C)n1)c1ccccc1 ZINC001111443830 1017139876 /nfs/dbraw/zinc/13/98/76/1017139876.db2.gz XZSYDSFQMGICRF-WCIQWLHISA-N 1 2 350.466 2.611 20 30 FFEDLO O=C(CC#Cc1ccccc1)N1C[C@H]2CC[N@H+](Cc3ccns3)C[C@H]21 ZINC001222039866 1032688490 /nfs/dbraw/zinc/68/84/90/1032688490.db2.gz CYCAMKXINHSVFS-IEBWSBKVSA-N 1 2 351.475 2.618 20 30 FFEDLO O=C(CC#Cc1ccccc1)N1C[C@H]2CC[N@@H+](Cc3ccns3)C[C@H]21 ZINC001222039866 1032688496 /nfs/dbraw/zinc/68/84/96/1032688496.db2.gz CYCAMKXINHSVFS-IEBWSBKVSA-N 1 2 351.475 2.618 20 30 FFEDLO Cc1ccc(C#N)c(N2CC[C@H](NC(=O)c3c(C)cc(C)[nH+]c3C)[C@H]2C)n1 ZINC001051299985 1017276053 /nfs/dbraw/zinc/27/60/53/1017276053.db2.gz BYCBHACXCPGFRC-AEFFLSMTSA-N 1 2 363.465 2.979 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(CC)CC ZINC001110902056 1017710541 /nfs/dbraw/zinc/71/05/41/1017710541.db2.gz KMDJYYRVYAZIST-QRVBRYPASA-N 1 2 361.530 2.596 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(CC)CC ZINC001110902056 1017710547 /nfs/dbraw/zinc/71/05/47/1017710547.db2.gz KMDJYYRVYAZIST-QRVBRYPASA-N 1 2 361.530 2.596 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3cccnc31)C2 ZINC001097737728 1017879146 /nfs/dbraw/zinc/87/91/46/1017879146.db2.gz UFLJHVMMNJAXKL-NCYKPQTJSA-N 1 2 372.472 2.905 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3cccnc31)C2 ZINC001097737728 1017879171 /nfs/dbraw/zinc/87/91/71/1017879171.db2.gz UFLJHVMMNJAXKL-NCYKPQTJSA-N 1 2 372.472 2.905 20 30 FFEDLO N#Cc1c(F)cccc1NC[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001055688035 1017891243 /nfs/dbraw/zinc/89/12/43/1017891243.db2.gz GQSIDYQJAKQPJI-XOBRGWDASA-N 1 2 367.428 2.704 20 30 FFEDLO CCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cccc(F)c2C#N)C1 ZINC001052718553 1018054747 /nfs/dbraw/zinc/05/47/47/1018054747.db2.gz ISLPRKYFRXOCCO-RHSMWYFYSA-N 1 2 355.417 2.637 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cccc(F)n2)C1 ZINC001052745379 1018080596 /nfs/dbraw/zinc/08/05/96/1018080596.db2.gz LYMNVASLSFTJFX-ZIAGYGMSSA-N 1 2 357.433 2.573 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccc3nc(Cl)ccc3c1)C2 ZINC001276755930 1032742945 /nfs/dbraw/zinc/74/29/45/1032742945.db2.gz CIOKDRWQESECOO-UHFFFAOYSA-N 1 2 371.868 2.878 20 30 FFEDLO CC[C@@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1cccc(C#N)c1O ZINC000926365457 1018093786 /nfs/dbraw/zinc/09/37/86/1018093786.db2.gz XABRZCYKOQVMCC-LJQANCHMSA-N 1 2 372.490 2.962 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1F ZINC001097879105 1018144459 /nfs/dbraw/zinc/14/44/59/1018144459.db2.gz ARSVDKOLBGMFJP-LIEJCIORSA-N 1 2 362.420 2.777 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1F ZINC001097879105 1018144466 /nfs/dbraw/zinc/14/44/66/1018144466.db2.gz ARSVDKOLBGMFJP-LIEJCIORSA-N 1 2 362.420 2.777 20 30 FFEDLO CC(C)[C@H](C)CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001217487465 1032752875 /nfs/dbraw/zinc/75/28/75/1032752875.db2.gz NOWQYXPNGKUHET-HLAWJBBLSA-N 1 2 354.494 2.632 20 30 FFEDLO CC(C)[C@H](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001217487465 1032752883 /nfs/dbraw/zinc/75/28/83/1032752883.db2.gz NOWQYXPNGKUHET-HLAWJBBLSA-N 1 2 354.494 2.632 20 30 FFEDLO CCC[C@H](C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001217493804 1032756053 /nfs/dbraw/zinc/75/60/53/1032756053.db2.gz OEILCQGUTGGDFY-JCGIZDLHSA-N 1 2 361.511 2.858 20 30 FFEDLO CCC[C@H](C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001217493804 1032756062 /nfs/dbraw/zinc/75/60/62/1032756062.db2.gz OEILCQGUTGGDFY-JCGIZDLHSA-N 1 2 361.511 2.858 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H](C)c3ccc(F)c(F)c3)C[C@@H]21 ZINC001217493867 1032756351 /nfs/dbraw/zinc/75/63/51/1032756351.db2.gz QESUPCMCRXIFMG-DOPJRALCSA-N 1 2 350.409 2.904 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H](C)c3ccc(F)c(F)c3)C[C@@H]21 ZINC001217493867 1032756365 /nfs/dbraw/zinc/75/63/65/1032756365.db2.gz QESUPCMCRXIFMG-DOPJRALCSA-N 1 2 350.409 2.904 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001053547891 1018361293 /nfs/dbraw/zinc/36/12/93/1018361293.db2.gz PZKGENXTLTTXDR-NVXWUHKLSA-N 1 2 353.470 2.983 20 30 FFEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000827574913 1018498949 /nfs/dbraw/zinc/49/89/49/1018498949.db2.gz IZIFNPNEWWOYII-HOTGVXAUSA-N 1 2 359.470 2.574 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccn(C(C)(C)C)c1=O)C2 ZINC001096126858 1018721895 /nfs/dbraw/zinc/72/18/95/1018721895.db2.gz KERFBPKTNWAJPT-KBMXLJTQSA-N 1 2 363.889 2.691 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccn(C(C)(C)C)c1=O)C2 ZINC001096126858 1018721910 /nfs/dbraw/zinc/72/19/10/1018721910.db2.gz KERFBPKTNWAJPT-KBMXLJTQSA-N 1 2 363.889 2.691 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C2CC2)no1 ZINC001096147839 1018856842 /nfs/dbraw/zinc/85/68/42/1018856842.db2.gz VUNMZUADRXYAPX-KXAOQFNBSA-N 1 2 371.481 2.755 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C2CC2)no1 ZINC001096147839 1018856862 /nfs/dbraw/zinc/85/68/62/1018856862.db2.gz VUNMZUADRXYAPX-KXAOQFNBSA-N 1 2 371.481 2.755 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000682528162 1018859177 /nfs/dbraw/zinc/85/91/77/1018859177.db2.gz QQCICZBCMHBPEA-GOEBONIOSA-N 1 2 357.429 2.671 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000682528162 1018859199 /nfs/dbraw/zinc/85/91/99/1018859199.db2.gz QQCICZBCMHBPEA-GOEBONIOSA-N 1 2 357.429 2.671 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]2C)cn1 ZINC001042080037 1018946467 /nfs/dbraw/zinc/94/64/67/1018946467.db2.gz HJQWVZDKFPVNQL-RDTXWAMCSA-N 1 2 363.465 2.539 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cccn3)c1)C2 ZINC001096168429 1019028159 /nfs/dbraw/zinc/02/81/59/1019028159.db2.gz HJPIYKIXDIWQGA-NJAFHUGGSA-N 1 2 356.857 2.960 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cccn3)c1)C2 ZINC001096168429 1019028176 /nfs/dbraw/zinc/02/81/76/1019028176.db2.gz HJPIYKIXDIWQGA-NJAFHUGGSA-N 1 2 356.857 2.960 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC001042741802 1019131037 /nfs/dbraw/zinc/13/10/37/1019131037.db2.gz WOGDSTLVJQKEJU-HOJAQTOUSA-N 1 2 358.457 2.937 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](Cc2ccc(OC)c(C)c2)C1 ZINC001042743409 1019132720 /nfs/dbraw/zinc/13/27/20/1019132720.db2.gz OHKXGHPYCKJIOJ-MOPGFXCFSA-N 1 2 358.482 2.627 20 30 FFEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)CCOCC1 ZINC001098045392 1019142725 /nfs/dbraw/zinc/14/27/25/1019142725.db2.gz BDTBZVMOHLIFTM-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)CCOCC1 ZINC001098045392 1019142729 /nfs/dbraw/zinc/14/27/29/1019142729.db2.gz BDTBZVMOHLIFTM-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]1C(C)(C)C)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001043319060 1019329901 /nfs/dbraw/zinc/32/99/01/1019329901.db2.gz BWYBBEKYSHQTEZ-RTBURBONSA-N 1 2 355.482 2.914 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccs1)C2 ZINC001098088468 1019399435 /nfs/dbraw/zinc/39/94/35/1019399435.db2.gz FNRKOYSRLVWDFU-OAGGEKHMSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccs1)C2 ZINC001098088468 1019399448 /nfs/dbraw/zinc/39/94/48/1019399448.db2.gz FNRKOYSRLVWDFU-OAGGEKHMSA-N 1 2 368.462 2.559 20 30 FFEDLO Cc1cc(C)c(C(=O)NC[C@H]2CC[C@@H](Nc3cncc(C#N)n3)C2)c(C)[nH+]1 ZINC001047616669 1019450834 /nfs/dbraw/zinc/45/08/34/1019450834.db2.gz GKBZFUKTPYEDDC-JKSUJKDBSA-N 1 2 364.453 2.679 20 30 FFEDLO COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)o1 ZINC001098095365 1019465305 /nfs/dbraw/zinc/46/53/05/1019465305.db2.gz NHDXHCLNSQHHAV-KURKYZTESA-N 1 2 368.408 2.814 20 30 FFEDLO COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)o1 ZINC001098095365 1019465316 /nfs/dbraw/zinc/46/53/16/1019465316.db2.gz NHDXHCLNSQHHAV-KURKYZTESA-N 1 2 368.408 2.814 20 30 FFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H](Nc2cccc(F)c2C#N)C1 ZINC001043557105 1019507416 /nfs/dbraw/zinc/50/74/16/1019507416.db2.gz XBADFKNLSHOTSZ-SNUQEOBHSA-N 1 2 355.417 2.558 20 30 FFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H](Nc2cccc(F)c2C#N)C1 ZINC001043557105 1019507431 /nfs/dbraw/zinc/50/74/31/1019507431.db2.gz XBADFKNLSHOTSZ-SNUQEOBHSA-N 1 2 355.417 2.558 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](Nc2cc[nH+]c(C)n2)C(C)(C)C1 ZINC001069624536 1019521414 /nfs/dbraw/zinc/52/14/14/1019521414.db2.gz CFPZSWHAIQUSNC-BQFCYCMXSA-N 1 2 358.486 2.805 20 30 FFEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2cncc(C#N)c2)CCN1Cc1cncc(C#N)c1 ZINC000930079750 1019861975 /nfs/dbraw/zinc/86/19/75/1019861975.db2.gz IOIVTDCQNZAYML-JTSKRJEESA-N 1 2 374.492 2.952 20 30 FFEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)CCN1Cc1cncc(C#N)c1 ZINC000930079750 1019861990 /nfs/dbraw/zinc/86/19/90/1019861990.db2.gz IOIVTDCQNZAYML-JTSKRJEESA-N 1 2 374.492 2.952 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C(=O)O[C@H]3CC[N@@H+](CCF)C3)cc2)nc1 ZINC000802238522 1019921830 /nfs/dbraw/zinc/92/18/30/1019921830.db2.gz NGRMDRVZNCFFFU-KRWDZBQOSA-N 1 2 355.369 2.946 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C(=O)O[C@H]3CC[N@H+](CCF)C3)cc2)nc1 ZINC000802238522 1019921838 /nfs/dbraw/zinc/92/18/38/1019921838.db2.gz NGRMDRVZNCFFFU-KRWDZBQOSA-N 1 2 355.369 2.946 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncoc1C(C)C ZINC001096035546 1020036223 /nfs/dbraw/zinc/03/62/23/1020036223.db2.gz FUJOFWQHDHKJTE-YONAWACDSA-N 1 2 359.470 2.611 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncoc1C(C)C ZINC001096035546 1020036237 /nfs/dbraw/zinc/03/62/37/1020036237.db2.gz FUJOFWQHDHKJTE-YONAWACDSA-N 1 2 359.470 2.611 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[C@H]2Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001045740720 1020111437 /nfs/dbraw/zinc/11/14/37/1020111437.db2.gz RPJAGOLVXCOXIQ-QZTJIDSGSA-N 1 2 369.513 2.660 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[C@H]2Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001045740720 1020111444 /nfs/dbraw/zinc/11/14/44/1020111444.db2.gz RPJAGOLVXCOXIQ-QZTJIDSGSA-N 1 2 369.513 2.660 20 30 FFEDLO CCCc1nc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000725793042 1020261391 /nfs/dbraw/zinc/26/13/91/1020261391.db2.gz TYCCCWVVTBYJHJ-UHFFFAOYSA-N 1 2 374.510 2.765 20 30 FFEDLO C[C@@]1(Cc2ccccc2)CC(=O)N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1 ZINC000902606321 1020334104 /nfs/dbraw/zinc/33/41/04/1020334104.db2.gz AUBKIXZORSGHKG-OAQYLSRUSA-N 1 2 368.477 2.763 20 30 FFEDLO CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)c(C)n1 ZINC001096080674 1020543207 /nfs/dbraw/zinc/54/32/07/1020543207.db2.gz XKQACNGBIPJNAH-BVGQSLNGSA-N 1 2 369.494 2.680 20 30 FFEDLO CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)c(C)n1 ZINC001096080674 1020543215 /nfs/dbraw/zinc/54/32/15/1020543215.db2.gz XKQACNGBIPJNAH-BVGQSLNGSA-N 1 2 369.494 2.680 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1Cc3cccnc3C1)C2 ZINC001096432338 1020577672 /nfs/dbraw/zinc/57/76/72/1020577672.db2.gz UIDGDRUXSAWJGK-MXNKGDRCSA-N 1 2 372.472 2.590 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1Cc3cccnc3C1)C2 ZINC001096432338 1020577681 /nfs/dbraw/zinc/57/76/81/1020577681.db2.gz UIDGDRUXSAWJGK-MXNKGDRCSA-N 1 2 372.472 2.590 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC001073479604 1020590351 /nfs/dbraw/zinc/59/03/51/1020590351.db2.gz QLSLJUNLNPKYGI-BFYDXBDKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC001073479604 1020590359 /nfs/dbraw/zinc/59/03/59/1020590359.db2.gz QLSLJUNLNPKYGI-BFYDXBDKSA-N 1 2 358.486 2.613 20 30 FFEDLO CCc1oncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001096092503 1020610393 /nfs/dbraw/zinc/61/03/93/1020610393.db2.gz JZJFWMBFDHKLMK-RLCCDNCMSA-N 1 2 356.451 2.705 20 30 FFEDLO CCc1oncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001096092503 1020610395 /nfs/dbraw/zinc/61/03/95/1020610395.db2.gz JZJFWMBFDHKLMK-RLCCDNCMSA-N 1 2 356.451 2.705 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CF)CCOCC1)C2 ZINC001111023686 1020692759 /nfs/dbraw/zinc/69/27/59/1020692759.db2.gz WUSAZGGEEHZXON-QRVBRYPASA-N 1 2 371.456 2.546 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CF)CCOCC1)C2 ZINC001111023686 1020692766 /nfs/dbraw/zinc/69/27/66/1020692766.db2.gz WUSAZGGEEHZXON-QRVBRYPASA-N 1 2 371.456 2.546 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(OC)ccc1OC)C2 ZINC001098361557 1020849002 /nfs/dbraw/zinc/84/90/02/1020849002.db2.gz TWCQWLVSIACFET-WQVCFCJDSA-N 1 2 350.846 2.791 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(OC)ccc1OC)C2 ZINC001098361557 1020849006 /nfs/dbraw/zinc/84/90/06/1020849006.db2.gz TWCQWLVSIACFET-WQVCFCJDSA-N 1 2 350.846 2.791 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nc(C)c(Cl)c1C)C2 ZINC001098421320 1020893108 /nfs/dbraw/zinc/89/31/08/1020893108.db2.gz WSYQEYWINSGMLT-MCIONIFRSA-N 1 2 357.285 2.627 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nc(C)c(Cl)c1C)C2 ZINC001098421320 1020893116 /nfs/dbraw/zinc/89/31/16/1020893116.db2.gz WSYQEYWINSGMLT-MCIONIFRSA-N 1 2 357.285 2.627 20 30 FFEDLO C=CCn1ncc2ccc(NC(=O)N3CCC[C@H]3C[NH+]3CCOCC3)cc21 ZINC000933071597 1020950708 /nfs/dbraw/zinc/95/07/08/1020950708.db2.gz CKWGTHWFYMHKEF-SFHVURJKSA-N 1 2 369.469 2.551 20 30 FFEDLO CCOc1ccc(-c2noc(C[NH+]3CCC4(CC3)CC(=O)C=CO4)n2)cc1 ZINC000933654297 1021060846 /nfs/dbraw/zinc/06/08/46/1021060846.db2.gz RIASHXURXRYXRW-UHFFFAOYSA-N 1 2 369.421 2.973 20 30 FFEDLO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933778092 1021089059 /nfs/dbraw/zinc/08/90/59/1021089059.db2.gz KDGUGMUBKIGCEK-ZDUSSCGKSA-N 1 2 373.478 2.946 20 30 FFEDLO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933778092 1021089064 /nfs/dbraw/zinc/08/90/64/1021089064.db2.gz KDGUGMUBKIGCEK-ZDUSSCGKSA-N 1 2 373.478 2.946 20 30 FFEDLO CC(C)[C@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000778242788 1021213194 /nfs/dbraw/zinc/21/31/94/1021213194.db2.gz XQPAKCIMVNKCOS-MAUKXSAKSA-N 1 2 350.422 2.580 20 30 FFEDLO CC(C)[C@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000778242788 1021213204 /nfs/dbraw/zinc/21/32/04/1021213204.db2.gz XQPAKCIMVNKCOS-MAUKXSAKSA-N 1 2 350.422 2.580 20 30 FFEDLO C[C@@]1(C2CC2)COCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000934476831 1021252935 /nfs/dbraw/zinc/25/29/35/1021252935.db2.gz GDLJIKFBHFBCSG-KKSFZXQISA-N 1 2 362.433 2.725 20 30 FFEDLO C[C@@]1(C2CC2)COCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000934476831 1021252947 /nfs/dbraw/zinc/25/29/47/1021252947.db2.gz GDLJIKFBHFBCSG-KKSFZXQISA-N 1 2 362.433 2.725 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2nccn2CC)C3)cc1 ZINC001098969074 1021500619 /nfs/dbraw/zinc/50/06/19/1021500619.db2.gz CTXXILDIXGFWBZ-UGKGYDQZSA-N 1 2 362.477 2.669 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2nccn2CC)C3)cc1 ZINC001098969074 1021500628 /nfs/dbraw/zinc/50/06/28/1021500628.db2.gz CTXXILDIXGFWBZ-UGKGYDQZSA-N 1 2 362.477 2.669 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnc(COC)s2)C1 ZINC001099185884 1022032925 /nfs/dbraw/zinc/03/29/25/1022032925.db2.gz SQUUMYVJRBNRGK-LRDDRELGSA-N 1 2 355.891 2.626 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnc(COC)s2)C1 ZINC001099185884 1022032936 /nfs/dbraw/zinc/03/29/36/1022032936.db2.gz SQUUMYVJRBNRGK-LRDDRELGSA-N 1 2 355.891 2.626 20 30 FFEDLO CC(F)(F)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001099200403 1022065819 /nfs/dbraw/zinc/06/58/19/1022065819.db2.gz RUSKCVIDHBGPEN-CHWSQXEVSA-N 1 2 361.314 2.692 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](Oc2ccc(C(=O)/C=C\c3ccccc3)cc2)C[NH2+]1 ZINC001218178693 1033035277 /nfs/dbraw/zinc/03/52/77/1033035277.db2.gz RGTBOGCEPUIOFI-VNYDDFBVSA-N 1 2 351.402 2.865 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001222547817 1033044606 /nfs/dbraw/zinc/04/46/06/1033044606.db2.gz XPVGGLKBDCJAFK-WBVHZDCISA-N 1 2 356.470 2.563 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001222547817 1033044616 /nfs/dbraw/zinc/04/46/16/1033044616.db2.gz XPVGGLKBDCJAFK-WBVHZDCISA-N 1 2 356.470 2.563 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000115543572 1022335982 /nfs/dbraw/zinc/33/59/82/1022335982.db2.gz WWJKIFGDHWBFRP-VQTJNVASSA-N 1 2 367.424 2.669 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000115543575 1022336166 /nfs/dbraw/zinc/33/61/66/1022336166.db2.gz WWJKIFGDHWBFRP-WOJBJXKFSA-N 1 2 367.424 2.669 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1oc(C(C)C)nc1C ZINC001038264849 1022639286 /nfs/dbraw/zinc/63/92/86/1022639286.db2.gz AHFSZAGPXNGZCA-ZACQAIPSSA-N 1 2 361.486 2.778 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1oc(C(C)C)nc1C ZINC001038264849 1022639295 /nfs/dbraw/zinc/63/92/95/1022639295.db2.gz AHFSZAGPXNGZCA-ZACQAIPSSA-N 1 2 361.486 2.778 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)cc1C#N ZINC001038502369 1022659054 /nfs/dbraw/zinc/65/90/54/1022659054.db2.gz JILSZKDDLFGUEQ-KZNAEPCWSA-N 1 2 355.482 2.940 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)cc1C#N ZINC001038502369 1022659059 /nfs/dbraw/zinc/65/90/59/1022659059.db2.gz JILSZKDDLFGUEQ-KZNAEPCWSA-N 1 2 355.482 2.940 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1C(F)(F)F ZINC001038714183 1022682603 /nfs/dbraw/zinc/68/26/03/1022682603.db2.gz KTSPRSNFDDGPNC-INMHGKMJSA-N 1 2 368.399 2.987 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC001038714183 1022682607 /nfs/dbraw/zinc/68/26/07/1022682607.db2.gz KTSPRSNFDDGPNC-INMHGKMJSA-N 1 2 368.399 2.987 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038796536 1022707803 /nfs/dbraw/zinc/70/78/03/1022707803.db2.gz MMXIUOLIRHZXFD-BJLQDIEVSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038796536 1022707814 /nfs/dbraw/zinc/70/78/14/1022707814.db2.gz MMXIUOLIRHZXFD-BJLQDIEVSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001099744166 1022799827 /nfs/dbraw/zinc/79/98/27/1022799827.db2.gz CJRIUBCYYBUKHP-XYPHTWIQSA-N 1 2 358.486 2.950 20 30 FFEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](C[C@H](O)c2cccc(F)c2)CC1 ZINC000780319159 1022854914 /nfs/dbraw/zinc/85/49/14/1022854914.db2.gz MPLTVXRRBAFLHA-PMACEKPBSA-N 1 2 357.404 2.881 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC001119723266 1022955247 /nfs/dbraw/zinc/95/52/47/1022955247.db2.gz PPJKBQMMQUXLDX-LSDHHAIUSA-N 1 2 362.499 2.923 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC001119723266 1022955257 /nfs/dbraw/zinc/95/52/57/1022955257.db2.gz PPJKBQMMQUXLDX-LSDHHAIUSA-N 1 2 362.499 2.923 20 30 FFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC001137803956 1033111668 /nfs/dbraw/zinc/11/16/68/1033111668.db2.gz GYMULVWJGSDDSE-LLVKDONJSA-N 1 2 354.801 2.938 20 30 FFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC001137803956 1033111675 /nfs/dbraw/zinc/11/16/75/1033111675.db2.gz GYMULVWJGSDDSE-LLVKDONJSA-N 1 2 354.801 2.938 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCO[C@](C)(C2CC2)C1 ZINC001122626677 1023376749 /nfs/dbraw/zinc/37/67/49/1023376749.db2.gz ZTKOIJNPAKRUFG-FQEVSTJZSA-N 1 2 359.518 2.845 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCS[C@H](C)C1 ZINC001122629927 1023378376 /nfs/dbraw/zinc/37/83/76/1023378376.db2.gz QGUORNPSBPQJPZ-CVEARBPZSA-N 1 2 365.547 2.578 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCS[C@H](C)C1 ZINC001122629927 1023378383 /nfs/dbraw/zinc/37/83/83/1023378383.db2.gz QGUORNPSBPQJPZ-CVEARBPZSA-N 1 2 365.547 2.578 20 30 FFEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000948941010 1023419266 /nfs/dbraw/zinc/41/92/66/1023419266.db2.gz SABMTOUYRWXHPD-MJUUVYJYSA-N 1 2 352.478 2.540 20 30 FFEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000948941010 1023419268 /nfs/dbraw/zinc/41/92/68/1023419268.db2.gz SABMTOUYRWXHPD-MJUUVYJYSA-N 1 2 352.478 2.540 20 30 FFEDLO COC[C@@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccco1 ZINC000754338239 1023456724 /nfs/dbraw/zinc/45/67/24/1023456724.db2.gz ARKVJIOWGBSGHI-GOEBONIOSA-N 1 2 362.389 2.794 20 30 FFEDLO C#CCN(C)c1nnc([C@H](C)[N@H+](C)Cc2ccccc2)n1C[C@H]1CCCO1 ZINC001122872819 1023526347 /nfs/dbraw/zinc/52/63/47/1023526347.db2.gz LTPHJCZTYREGGU-PKOBYXMFSA-N 1 2 367.497 2.720 20 30 FFEDLO C#CCN(C)c1nnc([C@H](C)[N@@H+](C)Cc2ccccc2)n1C[C@H]1CCCO1 ZINC001122872819 1023526351 /nfs/dbraw/zinc/52/63/51/1023526351.db2.gz LTPHJCZTYREGGU-PKOBYXMFSA-N 1 2 367.497 2.720 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nccc(C)n3)[C@H]2C1 ZINC001222752258 1033142069 /nfs/dbraw/zinc/14/20/69/1033142069.db2.gz XKQQVVQDVZECQH-MJGOQNOKSA-N 1 2 354.498 2.976 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nccc(C)n3)[C@H]2C1 ZINC001222752258 1033142078 /nfs/dbraw/zinc/14/20/78/1033142078.db2.gz XKQQVVQDVZECQH-MJGOQNOKSA-N 1 2 354.498 2.976 20 30 FFEDLO COCCN(c1nnc(C2CC[NH+](CCC#N)CC2)n1C)[C@H]1CC[C@@H](C)C1 ZINC001121416011 1023761937 /nfs/dbraw/zinc/76/19/37/1023761937.db2.gz YBSORCCGOQJZLJ-AEFFLSMTSA-N 1 2 374.533 2.550 20 30 FFEDLO CC[C@H](SC)C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001123370172 1023765394 /nfs/dbraw/zinc/76/53/94/1023765394.db2.gz RSORMJPSYBAQEI-INIZCTEOSA-N 1 2 353.509 2.617 20 30 FFEDLO C=CCn1c([C@@H]2CCCCO2)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001121467552 1023793667 /nfs/dbraw/zinc/79/36/67/1023793667.db2.gz CYHKVCATJDWIJI-KRWDZBQOSA-N 1 2 368.485 2.729 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N(CCC)Cc1ccc(F)cc1 ZINC001121509006 1023817623 /nfs/dbraw/zinc/81/76/23/1023817623.db2.gz BGLTVMDIMNVSHQ-ZWKOTPCHSA-N 1 2 373.476 2.757 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N(CCC)Cc1ccc(F)cc1 ZINC001121509006 1023817627 /nfs/dbraw/zinc/81/76/27/1023817627.db2.gz BGLTVMDIMNVSHQ-ZWKOTPCHSA-N 1 2 373.476 2.757 20 30 FFEDLO CN(c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1)[C@@H]1CCSC1 ZINC001123633074 1023912767 /nfs/dbraw/zinc/91/27/67/1023912767.db2.gz LUAAHOPHMAXAQG-QGZVFWFLSA-N 1 2 374.558 2.723 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)C3(CCOC)CC3)C[C@@H]21 ZINC001222855221 1033177300 /nfs/dbraw/zinc/17/73/00/1033177300.db2.gz MIZSNJFMMZUFCX-CABCVRRESA-N 1 2 371.319 2.635 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3(CCOC)CC3)C[C@@H]21 ZINC001222855221 1033177306 /nfs/dbraw/zinc/17/73/06/1033177306.db2.gz MIZSNJFMMZUFCX-CABCVRRESA-N 1 2 371.319 2.635 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2C[N@H+](Cc3noc(-c4ccoc4)n3)C[C@@]2(C)C1 ZINC001101168797 1023991160 /nfs/dbraw/zinc/99/11/60/1023991160.db2.gz WCPUZLHYURWHEU-BEFAXECRSA-N 1 2 356.426 2.576 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+](Cc3noc(-c4ccoc4)n3)C[C@@]2(C)C1 ZINC001101168797 1023991166 /nfs/dbraw/zinc/99/11/66/1023991166.db2.gz WCPUZLHYURWHEU-BEFAXECRSA-N 1 2 356.426 2.576 20 30 FFEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nccn4CC)[C@H]3C2)CCC1 ZINC001222876851 1033185419 /nfs/dbraw/zinc/18/54/19/1033185419.db2.gz JEJJOZVGUADTPN-MSOLQXFVSA-N 1 2 354.498 2.519 20 30 FFEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nccn4CC)[C@H]3C2)CCC1 ZINC001222876851 1033185423 /nfs/dbraw/zinc/18/54/23/1033185423.db2.gz JEJJOZVGUADTPN-MSOLQXFVSA-N 1 2 354.498 2.519 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001101251965 1024196937 /nfs/dbraw/zinc/19/69/37/1024196937.db2.gz UDFBHLJDGLUWNN-UZLBHIALSA-N 1 2 359.518 2.742 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001101251965 1024196941 /nfs/dbraw/zinc/19/69/41/1024196941.db2.gz UDFBHLJDGLUWNN-UZLBHIALSA-N 1 2 359.518 2.742 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2C[N@H+](Cc3cn(C(C)(C)C)nn3)C[C@@]2(C)C1 ZINC001101336700 1024484931 /nfs/dbraw/zinc/48/49/31/1024484931.db2.gz MTMSWYHAHMXQCF-UTKZUKDTSA-N 1 2 371.529 2.507 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3cn(C(C)(C)C)nn3)C[C@@]2(C)C1 ZINC001101336700 1024484938 /nfs/dbraw/zinc/48/49/38/1024484938.db2.gz MTMSWYHAHMXQCF-UTKZUKDTSA-N 1 2 371.529 2.507 20 30 FFEDLO C=CC1(CC(=O)N2C[C@H]3C[N@H+](Cc4cnon4)C[C@@]3(C)C2)CCCCC1 ZINC001101390872 1024612958 /nfs/dbraw/zinc/61/29/58/1024612958.db2.gz SURUNXQARJLUIY-APWZRJJASA-N 1 2 358.486 2.877 20 30 FFEDLO C=CC1(CC(=O)N2C[C@H]3C[N@@H+](Cc4cnon4)C[C@@]3(C)C2)CCCCC1 ZINC001101390872 1024612964 /nfs/dbraw/zinc/61/29/64/1024612964.db2.gz SURUNXQARJLUIY-APWZRJJASA-N 1 2 358.486 2.877 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000951699728 1024661476 /nfs/dbraw/zinc/66/14/76/1024661476.db2.gz MCXPNIAGLKRXEK-PMACEKPBSA-N 1 2 364.530 2.851 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC000951785293 1024701758 /nfs/dbraw/zinc/70/17/58/1024701758.db2.gz HQYBTOKLVFEXID-RLLQIKCJSA-N 1 2 358.457 2.937 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2nn(C)cc2Cl)C[C@H]1C ZINC001102261403 1025657518 /nfs/dbraw/zinc/65/75/18/1025657518.db2.gz YIILBWROQAVIBR-RBSFLKMASA-N 1 2 352.910 2.860 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2nn(C)cc2Cl)C[C@H]1C ZINC001102261403 1025657524 /nfs/dbraw/zinc/65/75/24/1025657524.db2.gz YIILBWROQAVIBR-RBSFLKMASA-N 1 2 352.910 2.860 20 30 FFEDLO COCC#CC[N@H+]1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000839639862 1026770578 /nfs/dbraw/zinc/77/05/78/1026770578.db2.gz LYEAWDAHMDFQPM-ZWKOTPCHSA-N 1 2 362.445 2.768 20 30 FFEDLO COCC#CC[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000839639862 1026770582 /nfs/dbraw/zinc/77/05/82/1026770582.db2.gz LYEAWDAHMDFQPM-ZWKOTPCHSA-N 1 2 362.445 2.768 20 30 FFEDLO COCC#CC[N@H+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000839662270 1026781513 /nfs/dbraw/zinc/78/15/13/1026781513.db2.gz GFBFQYSPCUMKFU-FUHWJXTLSA-N 1 2 362.445 2.768 20 30 FFEDLO COCC#CC[N@@H+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000839662270 1026781523 /nfs/dbraw/zinc/78/15/23/1026781523.db2.gz GFBFQYSPCUMKFU-FUHWJXTLSA-N 1 2 362.445 2.768 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)[C@H](C2CC2)[C@@H]1C1CC1 ZINC000839979853 1026893804 /nfs/dbraw/zinc/89/38/04/1026893804.db2.gz HKUOEBFTCRNGMT-UXHICEINSA-N 1 2 353.466 2.611 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)[C@H](C2CC2)[C@@H]1C1CC1 ZINC000839979853 1026893812 /nfs/dbraw/zinc/89/38/12/1026893812.db2.gz HKUOEBFTCRNGMT-UXHICEINSA-N 1 2 353.466 2.611 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nn1 ZINC000640917723 1027029851 /nfs/dbraw/zinc/02/98/51/1027029851.db2.gz XSNCXDOWSUROEN-LSDHHAIUSA-N 1 2 365.437 2.576 20 30 FFEDLO N#Cc1c[nH]c2cc[nH+]c(N3CC[C@@H](n4cc(Br)cn4)C3)c12 ZINC001158822903 1027146956 /nfs/dbraw/zinc/14/69/56/1027146956.db2.gz VNDBGROWBZORFN-GFCCVEGCSA-N 1 2 357.215 2.845 20 30 FFEDLO C=CC[C@@H](Nc1ncnc2c1C[N@H+](Cc1ccccc1)CC2)C(=O)OC ZINC001158855406 1027161425 /nfs/dbraw/zinc/16/14/25/1027161425.db2.gz HFJOMUUCYGREFY-GOSISDBHSA-N 1 2 352.438 2.565 20 30 FFEDLO C=CC[C@@H](Nc1ncnc2c1C[N@@H+](Cc1ccccc1)CC2)C(=O)OC ZINC001158855406 1027161434 /nfs/dbraw/zinc/16/14/34/1027161434.db2.gz HFJOMUUCYGREFY-GOSISDBHSA-N 1 2 352.438 2.565 20 30 FFEDLO C#CCCCCCC(=O)NCC[C@@H]1C[N@H+](Cc2noc(CC)n2)C[C@H]1C ZINC001103315185 1027211562 /nfs/dbraw/zinc/21/15/62/1027211562.db2.gz RWRAEKAIKNNONJ-IAGOWNOFSA-N 1 2 360.502 2.790 20 30 FFEDLO C#CCCCCCC(=O)NCC[C@@H]1C[N@@H+](Cc2noc(CC)n2)C[C@H]1C ZINC001103315185 1027211573 /nfs/dbraw/zinc/21/15/73/1027211573.db2.gz RWRAEKAIKNNONJ-IAGOWNOFSA-N 1 2 360.502 2.790 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](CC)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001103355023 1027297267 /nfs/dbraw/zinc/29/72/67/1027297267.db2.gz XVMOKKVXBPKBCN-ZACQAIPSSA-N 1 2 358.486 2.950 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1[nH]ccc3ncc(C#N)c1-3)C[NH2+]C2(C)C ZINC001159661755 1027459078 /nfs/dbraw/zinc/45/90/78/1027459078.db2.gz YYDIVSIWCHMIPH-UHFFFAOYSA-N 1 2 365.397 2.718 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@](C)(CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001103578156 1027705690 /nfs/dbraw/zinc/70/56/90/1027705690.db2.gz IBKBXBWDJCKCNV-WWMYMODYSA-N 1 2 370.497 2.950 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC1=CC[N@H+](Cc2csc(C)n2)CC1 ZINC001161264318 1028102818 /nfs/dbraw/zinc/10/28/18/1028102818.db2.gz JZZZUTAVDWAWAL-MSOLQXFVSA-N 1 2 361.511 2.681 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC1=CC[N@@H+](Cc2csc(C)n2)CC1 ZINC001161264318 1028102826 /nfs/dbraw/zinc/10/28/26/1028102826.db2.gz JZZZUTAVDWAWAL-MSOLQXFVSA-N 1 2 361.511 2.681 20 30 FFEDLO N#Cc1cnc(NCc2c[nH+]cn2Cc2ccccc2Br)cn1 ZINC001161519531 1028211825 /nfs/dbraw/zinc/21/18/25/1028211825.db2.gz DBFVVRWBSZRIHB-UHFFFAOYSA-N 1 2 369.226 2.968 20 30 FFEDLO CCCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001111641704 1029017870 /nfs/dbraw/zinc/01/78/70/1029017870.db2.gz OFTZETHWAZREEY-PXNSSMCTSA-N 1 2 359.445 2.595 20 30 FFEDLO CCCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001111641704 1029017872 /nfs/dbraw/zinc/01/78/72/1029017872.db2.gz OFTZETHWAZREEY-PXNSSMCTSA-N 1 2 359.445 2.595 20 30 FFEDLO Cc1nc(NC(=N)c2ccc(C(F)(F)F)cc2)cc(N2CCOCC2)[nH+]1 ZINC001163678347 1029021441 /nfs/dbraw/zinc/02/14/41/1029021441.db2.gz IWEYOEBSPUPTQF-UHFFFAOYSA-N 1 2 365.359 2.677 20 30 FFEDLO C=CCOC(=O)N1CCC2(CN(c3[nH+]ccc(C)c3NC(C)=O)C2)CC1 ZINC001163866924 1029097832 /nfs/dbraw/zinc/09/78/32/1029097832.db2.gz YUGRBPXFLQQJKP-UHFFFAOYSA-N 1 2 358.442 2.573 20 30 FFEDLO CCc1nnc(NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)c(C#N)c1CC ZINC001163938849 1029122874 /nfs/dbraw/zinc/12/28/74/1029122874.db2.gz QHZWEROLJSCSII-UHFFFAOYSA-N 1 2 373.501 2.691 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)Oc1ccc2nc(Cl)c(Cl)nc2c1 ZINC001156320076 1029143603 /nfs/dbraw/zinc/14/36/03/1029143603.db2.gz PMMXSHCYYFLELI-QMMMGPOBSA-N 1 2 374.178 2.663 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000781473257 1029233487 /nfs/dbraw/zinc/23/34/87/1029233487.db2.gz MMMPCJWZCVDWNC-INIZCTEOSA-N 1 2 360.413 2.936 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000781473257 1029233493 /nfs/dbraw/zinc/23/34/93/1029233493.db2.gz MMMPCJWZCVDWNC-INIZCTEOSA-N 1 2 360.413 2.936 20 30 FFEDLO CSc1nc(-c2ccccc2)nc(N2CC[NH2+]CC(F)(F)C2)c1C#N ZINC001164497125 1029299801 /nfs/dbraw/zinc/29/98/01/1029299801.db2.gz DVGQDNYPRAIRFA-UHFFFAOYSA-N 1 2 361.421 2.782 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164641357 1029349361 /nfs/dbraw/zinc/34/93/61/1029349361.db2.gz KJERLHUSGDOZGT-SECBINFHSA-N 1 2 358.179 2.783 20 30 FFEDLO COc1cc(N2CCN(c3nc(Cl)c(Cl)cc3C#N)CC2)cc[nH+]1 ZINC001158098420 1029732958 /nfs/dbraw/zinc/73/29/58/1029732958.db2.gz AHJFZYVMHVWSIJ-UHFFFAOYSA-N 1 2 364.236 2.990 20 30 FFEDLO C=C[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nonc1C)C2)c1ccccc1 ZINC001112001199 1029850152 /nfs/dbraw/zinc/85/01/52/1029850152.db2.gz LXWFTIPQGPMLRS-UEXGIBASSA-N 1 2 366.465 2.819 20 30 FFEDLO C=C[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nonc1C)C2)c1ccccc1 ZINC001112001199 1029850160 /nfs/dbraw/zinc/85/01/60/1029850160.db2.gz LXWFTIPQGPMLRS-UEXGIBASSA-N 1 2 366.465 2.819 20 30 FFEDLO O=C(C#CC1CC1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C/C(Cl)=C\Cl)C1 ZINC001112098915 1030000130 /nfs/dbraw/zinc/00/01/30/1030000130.db2.gz ZHLVYVPSEWWLBK-VDUSXYPOSA-N 1 2 355.187 2.698 20 30 FFEDLO CC(C)=CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001112104333 1030014794 /nfs/dbraw/zinc/01/47/94/1030014794.db2.gz BXAAXSXVBRXKNS-BBBLOLIVSA-N 1 2 350.278 2.832 20 30 FFEDLO CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001112104333 1030014812 /nfs/dbraw/zinc/01/48/12/1030014812.db2.gz BXAAXSXVBRXKNS-BBBLOLIVSA-N 1 2 350.278 2.832 20 30 FFEDLO Cc1nc(N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)ccc1C#N ZINC001165742087 1030107261 /nfs/dbraw/zinc/10/72/61/1030107261.db2.gz XAJDMVCTTRPADV-INIZCTEOSA-N 1 2 360.421 2.569 20 30 FFEDLO C=CCn1c(=O)c2ccc(-c3nc([C@H]([NH3+])CC(C)C)no3)cc2[nH]c1=S ZINC000842588597 1030802028 /nfs/dbraw/zinc/80/20/28/1030802028.db2.gz NGIQBWIGUBOZQZ-CYBMUJFWSA-N 1 2 371.466 2.967 20 30 FFEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796947285 1030960640 /nfs/dbraw/zinc/96/06/40/1030960640.db2.gz JYNCMPOWRQIUKK-CYBMUJFWSA-N 1 2 353.426 2.968 20 30 FFEDLO COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(Cl)cccc1C#N ZINC001276438578 1031076861 /nfs/dbraw/zinc/07/68/61/1031076861.db2.gz WIYVVWCZNDSBIM-QZTJIDSGSA-N 1 2 361.873 2.813 20 30 FFEDLO COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(Cl)cccc1C#N ZINC001276438578 1031076880 /nfs/dbraw/zinc/07/68/80/1031076880.db2.gz WIYVVWCZNDSBIM-QZTJIDSGSA-N 1 2 361.873 2.813 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2Cc3nccn3C[C@@H](Cn3cccn3)C2)cc1 ZINC001204300886 1031215766 /nfs/dbraw/zinc/21/57/66/1031215766.db2.gz WHYOWEFAECOIJG-IBGZPJMESA-N 1 2 363.465 2.977 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2Cc3nccn3C[C@@H](Cn3cccn3)C2)cc1 ZINC001204300886 1031215781 /nfs/dbraw/zinc/21/57/81/1031215781.db2.gz WHYOWEFAECOIJG-IBGZPJMESA-N 1 2 363.465 2.977 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1cn(C)c2ccccc12 ZINC001204316804 1031225147 /nfs/dbraw/zinc/22/51/47/1031225147.db2.gz OPDBQKJTIZWNTE-IBGZPJMESA-N 1 2 351.454 2.609 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1cn(C)c2ccccc12 ZINC001204316804 1031225161 /nfs/dbraw/zinc/22/51/61/1031225161.db2.gz OPDBQKJTIZWNTE-IBGZPJMESA-N 1 2 351.454 2.609 20 30 FFEDLO Cc1nsc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1C#N ZINC001204863835 1031455390 /nfs/dbraw/zinc/45/53/90/1031455390.db2.gz AWZXBKGNFYVCHH-UHFFFAOYSA-N 1 2 352.423 2.890 20 30 FFEDLO N#Cc1c(F)ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)c1N ZINC001149989897 1031637615 /nfs/dbraw/zinc/63/76/15/1031637615.db2.gz PSWHGMJBOUEUQN-KRWDZBQOSA-N 1 2 353.401 2.668 20 30 FFEDLO N#Cc1c(F)ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)c1N ZINC001149989897 1031637621 /nfs/dbraw/zinc/63/76/21/1031637621.db2.gz PSWHGMJBOUEUQN-KRWDZBQOSA-N 1 2 353.401 2.668 20 30 FFEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)CCO1 ZINC001137900305 1033315460 /nfs/dbraw/zinc/31/54/60/1033315460.db2.gz ZGCOCZDLQHEMHH-FQEVSTJZSA-N 1 2 365.433 2.700 20 30 FFEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)CCO1 ZINC001137900305 1033315472 /nfs/dbraw/zinc/31/54/72/1033315472.db2.gz ZGCOCZDLQHEMHH-FQEVSTJZSA-N 1 2 365.433 2.700 20 30 FFEDLO CC[C@@H](C)CCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218832015 1033365117 /nfs/dbraw/zinc/36/51/17/1033365117.db2.gz IPEYDRURQNRWDJ-FHLIZLRMSA-N 1 2 361.511 2.858 20 30 FFEDLO CC[C@@H](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218832015 1033365126 /nfs/dbraw/zinc/36/51/26/1033365126.db2.gz IPEYDRURQNRWDJ-FHLIZLRMSA-N 1 2 361.511 2.858 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc([C@H](C)OC)no3)[C@H]2C1 ZINC001223392999 1033421939 /nfs/dbraw/zinc/42/19/39/1033421939.db2.gz HDUHKNARRFRYHK-XHSDSOJGSA-N 1 2 362.474 2.556 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc([C@H](C)OC)no3)[C@H]2C1 ZINC001223392999 1033421946 /nfs/dbraw/zinc/42/19/46/1033421946.db2.gz HDUHKNARRFRYHK-XHSDSOJGSA-N 1 2 362.474 2.556 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(F)cc(C)cc1F)C2 ZINC001276905840 1033521494 /nfs/dbraw/zinc/52/14/94/1033521494.db2.gz AGEWJCHWJAWGQN-FQEVSTJZSA-N 1 2 364.436 2.900 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c(F)cc(C)cc1F)C2 ZINC001276905840 1033521509 /nfs/dbraw/zinc/52/15/09/1033521509.db2.gz AGEWJCHWJAWGQN-FQEVSTJZSA-N 1 2 364.436 2.900 20 30 FFEDLO CC(C)[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001219330093 1033601100 /nfs/dbraw/zinc/60/11/00/1033601100.db2.gz DHTUWBSSYKVUAZ-LZQZEXGQSA-N 1 2 362.901 2.535 20 30 FFEDLO CC(C)[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001219330093 1033601108 /nfs/dbraw/zinc/60/11/08/1033601108.db2.gz DHTUWBSSYKVUAZ-LZQZEXGQSA-N 1 2 362.901 2.535 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccccc2Br)C[C@@H]1O ZINC001219326193 1033601881 /nfs/dbraw/zinc/60/18/81/1033601881.db2.gz MJVHRQHCEQSLIN-WQVCFCJDSA-N 1 2 367.287 2.638 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccccc2Br)C[C@@H]1O ZINC001219326193 1033601885 /nfs/dbraw/zinc/60/18/85/1033601885.db2.gz MJVHRQHCEQSLIN-WQVCFCJDSA-N 1 2 367.287 2.638 20 30 FFEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001219342690 1033605604 /nfs/dbraw/zinc/60/56/04/1033605604.db2.gz FFLPCFMFOSYLLI-LZQZEXGQSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001219342690 1033605616 /nfs/dbraw/zinc/60/56/16/1033605616.db2.gz FFLPCFMFOSYLLI-LZQZEXGQSA-N 1 2 362.901 2.679 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ccc2F)C[C@@H]1O ZINC001219702986 1033769971 /nfs/dbraw/zinc/76/99/71/1033769971.db2.gz PGMOMLLYJRAEKL-CVEARBPZSA-N 1 2 354.853 2.574 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ccc2F)C[C@@H]1O ZINC001219702986 1033769982 /nfs/dbraw/zinc/76/99/82/1033769982.db2.gz PGMOMLLYJRAEKL-CVEARBPZSA-N 1 2 354.853 2.574 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001219708254 1033776406 /nfs/dbraw/zinc/77/64/06/1033776406.db2.gz QVPDBRHWUWMUJP-JLZZUVOBSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001219708254 1033776422 /nfs/dbraw/zinc/77/64/22/1033776422.db2.gz QVPDBRHWUWMUJP-JLZZUVOBSA-N 1 2 352.425 2.789 20 30 FFEDLO CCOC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1C#N ZINC000830915033 1033858899 /nfs/dbraw/zinc/85/88/99/1033858899.db2.gz FBNLPSOAUHDASC-ZIAGYGMSSA-N 1 2 353.382 2.602 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O)C(C)(C)C ZINC001219883902 1033869605 /nfs/dbraw/zinc/86/96/05/1033869605.db2.gz ZQKQEVPPQMPWDK-QGTPRVQTSA-N 1 2 362.901 2.535 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O)C(C)(C)C ZINC001219883902 1033869611 /nfs/dbraw/zinc/86/96/11/1033869611.db2.gz ZQKQEVPPQMPWDK-QGTPRVQTSA-N 1 2 362.901 2.535 20 30 FFEDLO C=C1CCC(CNC(=O)[C@@H]2CCC(=O)N(CCC)[C@H]2c2c[nH+]cn2C)CC1 ZINC000830990501 1033901287 /nfs/dbraw/zinc/90/12/87/1033901287.db2.gz BROKUKUYLXQPFR-YLJYHZDGSA-N 1 2 372.513 2.972 20 30 FFEDLO CC1(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@@H]2O)CCCCC1 ZINC001219986286 1033928080 /nfs/dbraw/zinc/92/80/80/1033928080.db2.gz PZSGTAACEMQCLR-MOPGFXCFSA-N 1 2 355.482 2.580 20 30 FFEDLO CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@@H]2O)CCCCC1 ZINC001219986286 1033928086 /nfs/dbraw/zinc/92/80/86/1033928086.db2.gz PZSGTAACEMQCLR-MOPGFXCFSA-N 1 2 355.482 2.580 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3nc4ccccc4o3)C[C@@H]2O)CC1 ZINC001220289860 1034102579 /nfs/dbraw/zinc/10/25/79/1034102579.db2.gz FOCUOJXZBFYQIE-UAGQMJEPSA-N 1 2 369.465 2.797 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3nc4ccccc4o3)C[C@@H]2O)CC1 ZINC001220289860 1034102588 /nfs/dbraw/zinc/10/25/88/1034102588.db2.gz FOCUOJXZBFYQIE-UAGQMJEPSA-N 1 2 369.465 2.797 20 30 FFEDLO CCC[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001220618178 1034292033 /nfs/dbraw/zinc/29/20/33/1034292033.db2.gz IJEJWHDQFIAODB-WSTZPKSXSA-N 1 2 361.461 2.575 20 30 FFEDLO CCC[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001220618178 1034292048 /nfs/dbraw/zinc/29/20/48/1034292048.db2.gz IJEJWHDQFIAODB-WSTZPKSXSA-N 1 2 361.461 2.575 20 30 FFEDLO C=C(C)CN1CC2(C[NH+](Cc3cc(C(C)(C)C)ccc3O)C2)OCC1=O ZINC001277056442 1034320445 /nfs/dbraw/zinc/32/04/45/1034320445.db2.gz KGFAKNLENTYNIS-UHFFFAOYSA-N 1 2 358.482 2.679 20 30 FFEDLO CCOCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(Cl)c(C#N)c2)C1=O ZINC001277083469 1034452797 /nfs/dbraw/zinc/45/27/97/1034452797.db2.gz IGYUETQSCJCWSD-IBGZPJMESA-N 1 2 361.873 2.815 20 30 FFEDLO CCOCCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(Cl)c(C#N)c2)C1=O ZINC001277083469 1034452806 /nfs/dbraw/zinc/45/28/06/1034452806.db2.gz IGYUETQSCJCWSD-IBGZPJMESA-N 1 2 361.873 2.815 20 30 FFEDLO CCC(C)(CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001221018249 1034502371 /nfs/dbraw/zinc/50/23/71/1034502371.db2.gz YFCGSTZXTDCUAO-MSOLQXFVSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC(C)(CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001221018249 1034502377 /nfs/dbraw/zinc/50/23/77/1034502377.db2.gz YFCGSTZXTDCUAO-MSOLQXFVSA-N 1 2 362.901 2.679 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1O)c1ccccc1 ZINC001221048023 1034524309 /nfs/dbraw/zinc/52/43/09/1034524309.db2.gz BYXVDDSPMOENGZ-AQNXPRMDSA-N 1 2 370.880 2.971 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1O)c1ccccc1 ZINC001221048023 1034524312 /nfs/dbraw/zinc/52/43/12/1034524312.db2.gz BYXVDDSPMOENGZ-AQNXPRMDSA-N 1 2 370.880 2.971 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccnn1[C@H]1CCCCO1)CC2 ZINC001138776108 1034646185 /nfs/dbraw/zinc/64/61/85/1034646185.db2.gz FZHCOPGRYQMUBU-HXUWFJFHSA-N 1 2 371.485 2.577 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccnn1[C@H]1CCCCO1)CC2 ZINC001138776108 1034646193 /nfs/dbraw/zinc/64/61/93/1034646193.db2.gz FZHCOPGRYQMUBU-HXUWFJFHSA-N 1 2 371.485 2.577 20 30 FFEDLO CCOC(=O)c1n[nH]cc1C[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001138858090 1034748556 /nfs/dbraw/zinc/74/85/56/1034748556.db2.gz WWRZAJMMPFIKMC-UHFFFAOYSA-N 1 2 354.410 2.501 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)c3c(F)cccc3F)C[C@H]21 ZINC001221436188 1034757272 /nfs/dbraw/zinc/75/72/72/1034757272.db2.gz OYPHTQBHFJERJM-CKEIUWERSA-N 1 2 350.409 2.761 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)c3c(F)cccc3F)C[C@H]21 ZINC001221436188 1034757280 /nfs/dbraw/zinc/75/72/80/1034757280.db2.gz OYPHTQBHFJERJM-CKEIUWERSA-N 1 2 350.409 2.761 20 30 FFEDLO CCCCOCC(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221462731 1034789437 /nfs/dbraw/zinc/78/94/37/1034789437.db2.gz AYHDIDSNXOCPDR-UYAOXDASSA-N 1 2 358.457 2.527 20 30 FFEDLO CCCCOCC(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221462731 1034789449 /nfs/dbraw/zinc/78/94/49/1034789449.db2.gz AYHDIDSNXOCPDR-UYAOXDASSA-N 1 2 358.457 2.527 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)cc3F)C[C@H]21 ZINC001221471126 1034795816 /nfs/dbraw/zinc/79/58/16/1034795816.db2.gz OPEITWLTCPEBSR-VQIMIIECSA-N 1 2 364.436 2.980 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)cc3F)C[C@H]21 ZINC001221471126 1034795822 /nfs/dbraw/zinc/79/58/22/1034795822.db2.gz OPEITWLTCPEBSR-VQIMIIECSA-N 1 2 364.436 2.980 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(C)cc3)C[C@H]21 ZINC001221512629 1034830983 /nfs/dbraw/zinc/83/09/83/1034830983.db2.gz IPDDYXIRHBUYMX-QWFCFKBJSA-N 1 2 367.493 2.658 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(C)cc3)C[C@H]21 ZINC001221512629 1034830992 /nfs/dbraw/zinc/83/09/92/1034830992.db2.gz IPDDYXIRHBUYMX-QWFCFKBJSA-N 1 2 367.493 2.658 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001221579843 1034893280 /nfs/dbraw/zinc/89/32/80/1034893280.db2.gz YYHOHXMTTAQVMP-UKRRQHHQSA-N 1 2 366.456 2.993 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001221579843 1034893286 /nfs/dbraw/zinc/89/32/86/1034893286.db2.gz YYHOHXMTTAQVMP-UKRRQHHQSA-N 1 2 366.456 2.993 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)cc1C#N ZINC001276401869 1035279445 /nfs/dbraw/zinc/27/94/45/1035279445.db2.gz TXHRXKDWWJFFCO-LZRWSTQFSA-N 1 2 352.482 2.508 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)cc1C#N ZINC001276401869 1035279448 /nfs/dbraw/zinc/27/94/48/1035279448.db2.gz TXHRXKDWWJFFCO-LZRWSTQFSA-N 1 2 352.482 2.508 20 30 FFEDLO COC(=O)C1C[NH+](Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)C1 ZINC001140438185 1035477571 /nfs/dbraw/zinc/47/75/71/1035477571.db2.gz ZYVZLVNYVFDSNE-UHFFFAOYSA-N 1 2 369.421 2.901 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(F)cc(OC(C)C)cc1F ZINC001277195465 1035493935 /nfs/dbraw/zinc/49/39/35/1035493935.db2.gz TVKQYDOUTDHVQV-RTBURBONSA-N 1 2 362.420 2.951 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(F)cc(OC(C)C)cc1F ZINC001277195465 1035493938 /nfs/dbraw/zinc/49/39/38/1035493938.db2.gz TVKQYDOUTDHVQV-RTBURBONSA-N 1 2 362.420 2.951 20 30 FFEDLO C[N@@H+]1CCO[C@@H](COc2ccc(C[C@@H](C#N)c3ccc(O)cc3)cc2)C1 ZINC001227721831 1035695975 /nfs/dbraw/zinc/69/59/75/1035695975.db2.gz KXEWPNXCNFGIAK-GHTZIAJQSA-N 1 2 352.434 2.951 20 30 FFEDLO C[N@H+]1CCO[C@@H](COc2ccc(C[C@@H](C#N)c3ccc(O)cc3)cc2)C1 ZINC001227721831 1035695985 /nfs/dbraw/zinc/69/59/85/1035695985.db2.gz KXEWPNXCNFGIAK-GHTZIAJQSA-N 1 2 352.434 2.951 20 30 FFEDLO Cn1cc(N2C[C@@]3(CC[N@H+](Cc4ccc(Cl)cc4C#N)C3)CC2=O)cn1 ZINC001232608139 1035863863 /nfs/dbraw/zinc/86/38/63/1035863863.db2.gz VYOCTSJZNPHSAA-IBGZPJMESA-N 1 2 369.856 2.574 20 30 FFEDLO Cn1cc(N2C[C@@]3(CC[N@@H+](Cc4ccc(Cl)cc4C#N)C3)CC2=O)cn1 ZINC001232608139 1035863880 /nfs/dbraw/zinc/86/38/80/1035863880.db2.gz VYOCTSJZNPHSAA-IBGZPJMESA-N 1 2 369.856 2.574 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)c1 ZINC001232676687 1035931488 /nfs/dbraw/zinc/93/14/88/1035931488.db2.gz BFQHTGKCXCZTBY-IMFGXOCKSA-N 1 2 365.433 2.717 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)c1 ZINC001232676687 1035931498 /nfs/dbraw/zinc/93/14/98/1035931498.db2.gz BFQHTGKCXCZTBY-IMFGXOCKSA-N 1 2 365.433 2.717 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)c1 ZINC001232676157 1035931623 /nfs/dbraw/zinc/93/16/23/1035931623.db2.gz GPECYZLRJBNPNI-WBVHZDCISA-N 1 2 354.479 2.817 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)c1 ZINC001232676157 1035931627 /nfs/dbraw/zinc/93/16/27/1035931627.db2.gz GPECYZLRJBNPNI-WBVHZDCISA-N 1 2 354.479 2.817 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H]3O[C@@H](COc4cccnc4)CC[C@H]32)c1 ZINC001232678192 1035936677 /nfs/dbraw/zinc/93/66/77/1035936677.db2.gz YEDVGFNNTZNCBC-SFHLNBCPSA-N 1 2 365.433 2.860 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H]3O[C@@H](COc4cccnc4)CC[C@H]32)c1 ZINC001232678192 1035936693 /nfs/dbraw/zinc/93/66/93/1035936693.db2.gz YEDVGFNNTZNCBC-SFHLNBCPSA-N 1 2 365.433 2.860 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3O)C[C@H]21 ZINC001232681907 1035940123 /nfs/dbraw/zinc/94/01/23/1035940123.db2.gz XKZZLWSUSCITSA-USXIJHARSA-N 1 2 357.454 2.999 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3O)C[C@H]21 ZINC001232681907 1035940131 /nfs/dbraw/zinc/94/01/31/1035940131.db2.gz XKZZLWSUSCITSA-USXIJHARSA-N 1 2 357.454 2.999 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3ccc(C(C)C)nc3Cl)C2)OCC1=O ZINC001277711153 1035998309 /nfs/dbraw/zinc/99/83/09/1035998309.db2.gz FYBIRVNKYFVTGA-IBGZPJMESA-N 1 2 363.889 2.848 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3ccc(C(C)C)nc3Cl)C2)OCC1=O ZINC001277711153 1035998320 /nfs/dbraw/zinc/99/83/20/1035998320.db2.gz FYBIRVNKYFVTGA-IBGZPJMESA-N 1 2 363.889 2.848 20 30 FFEDLO COc1ccnc(O[C@@H]2CCC[N@H+](Cc3cc(F)c(C#N)c(F)c3)C2)n1 ZINC001140755898 1036070057 /nfs/dbraw/zinc/07/00/57/1036070057.db2.gz YBVKBPMFFZSTER-CYBMUJFWSA-N 1 2 360.364 2.678 20 30 FFEDLO COc1ccnc(O[C@@H]2CCC[N@@H+](Cc3cc(F)c(C#N)c(F)c3)C2)n1 ZINC001140755898 1036070077 /nfs/dbraw/zinc/07/00/77/1036070077.db2.gz YBVKBPMFFZSTER-CYBMUJFWSA-N 1 2 360.364 2.678 20 30 FFEDLO CCCNC(=O)c1ccc(O[C@H]2CC[N@H+](Cc3[nH]ccc3C#N)C2)cc1 ZINC001233050123 1036294643 /nfs/dbraw/zinc/29/46/43/1036294643.db2.gz ZLPMJMJOSDHFQM-SFHVURJKSA-N 1 2 352.438 2.679 20 30 FFEDLO CCCNC(=O)c1ccc(O[C@H]2CC[N@@H+](Cc3[nH]ccc3C#N)C2)cc1 ZINC001233050123 1036294658 /nfs/dbraw/zinc/29/46/58/1036294658.db2.gz ZLPMJMJOSDHFQM-SFHVURJKSA-N 1 2 352.438 2.679 20 30 FFEDLO CSc1nc(Cl)cc(N2CCC[N@H+](Cc3[nH]ccc3C#N)CC2)n1 ZINC001233048754 1036295391 /nfs/dbraw/zinc/29/53/91/1036295391.db2.gz LUAHJQWVYGUDOF-UHFFFAOYSA-N 1 2 362.890 2.764 20 30 FFEDLO CSc1nc(Cl)cc(N2CCC[N@@H+](Cc3[nH]ccc3C#N)CC2)n1 ZINC001233048754 1036295404 /nfs/dbraw/zinc/29/54/04/1036295404.db2.gz LUAHJQWVYGUDOF-UHFFFAOYSA-N 1 2 362.890 2.764 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(OC)c(Cl)c2O)C1=O ZINC001277833191 1036930538 /nfs/dbraw/zinc/93/05/38/1036930538.db2.gz CGRVUEBCZVJZLO-SFHVURJKSA-N 1 2 350.846 2.807 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(OC)c(Cl)c2O)C1=O ZINC001277833191 1036930549 /nfs/dbraw/zinc/93/05/49/1036930549.db2.gz CGRVUEBCZVJZLO-SFHVURJKSA-N 1 2 350.846 2.807 20 30 FFEDLO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206953059 1036975767 /nfs/dbraw/zinc/97/57/67/1036975767.db2.gz POPWYAPIWXYMPC-UMVBOHGHSA-N 1 2 370.478 2.709 20 30 FFEDLO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206953059 1036975785 /nfs/dbraw/zinc/97/57/85/1036975785.db2.gz POPWYAPIWXYMPC-UMVBOHGHSA-N 1 2 370.478 2.709 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2c(Cl)cccc2Cl)C[C@H]1C ZINC001206957841 1036987604 /nfs/dbraw/zinc/98/76/04/1036987604.db2.gz OVUJTQYFPAONIL-CXAGYDPISA-N 1 2 369.292 2.970 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2c(Cl)cccc2Cl)C[C@H]1C ZINC001206957841 1036987617 /nfs/dbraw/zinc/98/76/17/1036987617.db2.gz OVUJTQYFPAONIL-CXAGYDPISA-N 1 2 369.292 2.970 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCN(CC(F)F)C3=O)CC2)c1 ZINC001277850612 1037005651 /nfs/dbraw/zinc/00/56/51/1037005651.db2.gz WGVFCOBVQRNHJN-LJQANCHMSA-N 1 2 363.408 2.734 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@]3(CCN(CC(F)F)C3=O)CC2)c1 ZINC001277850612 1037005665 /nfs/dbraw/zinc/00/56/65/1037005665.db2.gz WGVFCOBVQRNHJN-LJQANCHMSA-N 1 2 363.408 2.734 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCN(CC(F)F)C3=O)CC2)c1 ZINC001277850611 1037006326 /nfs/dbraw/zinc/00/63/26/1037006326.db2.gz WGVFCOBVQRNHJN-IBGZPJMESA-N 1 2 363.408 2.734 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@]3(CCN(CC(F)F)C3=O)CC2)c1 ZINC001277850611 1037006339 /nfs/dbraw/zinc/00/63/39/1037006339.db2.gz WGVFCOBVQRNHJN-IBGZPJMESA-N 1 2 363.408 2.734 20 30 FFEDLO COc1cnc(SC)nc1O[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001230032485 1037045729 /nfs/dbraw/zinc/04/57/29/1037045729.db2.gz NXAKSVYJTVQAJP-OAHLLOKOSA-N 1 2 356.451 2.732 20 30 FFEDLO COc1cnc(SC)nc1O[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001230032485 1037045744 /nfs/dbraw/zinc/04/57/44/1037045744.db2.gz NXAKSVYJTVQAJP-OAHLLOKOSA-N 1 2 356.451 2.732 20 30 FFEDLO CCCCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(C#N)c1F)C2 ZINC001276505991 1037123454 /nfs/dbraw/zinc/12/34/54/1037123454.db2.gz INRICIMWNRONME-FQEVSTJZSA-N 1 2 359.445 2.548 20 30 FFEDLO CCCCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccc(C#N)c1F)C2 ZINC001276505991 1037123457 /nfs/dbraw/zinc/12/34/57/1037123457.db2.gz INRICIMWNRONME-FQEVSTJZSA-N 1 2 359.445 2.548 20 30 FFEDLO Cn1cc(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)cc1C#N ZINC001207106669 1037153027 /nfs/dbraw/zinc/15/30/27/1037153027.db2.gz RWIYUFULMNAYNF-UHFFFAOYSA-N 1 2 373.298 2.977 20 30 FFEDLO Cc1sccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)n(C)c1 ZINC001277451203 1037177869 /nfs/dbraw/zinc/17/78/69/1037177869.db2.gz ZMYXBACCBMXMEL-IYBDPMFKSA-N 1 2 354.479 2.756 20 30 FFEDLO Cc1sccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)n(C)c1 ZINC001277451203 1037177880 /nfs/dbraw/zinc/17/78/80/1037177880.db2.gz ZMYXBACCBMXMEL-IYBDPMFKSA-N 1 2 354.479 2.756 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)CCN4C(=O)OC(C)(C)C)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230973394 1037425263 /nfs/dbraw/zinc/42/52/63/1037425263.db2.gz QKLHCBHTIGYGGE-SGFYWKOBSA-N 1 2 372.465 2.975 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)CCN4C(=O)OC(C)(C)C)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230973394 1037425268 /nfs/dbraw/zinc/42/52/68/1037425268.db2.gz QKLHCBHTIGYGGE-SGFYWKOBSA-N 1 2 372.465 2.975 20 30 FFEDLO C=CC(C)(C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001231274403 1037520577 /nfs/dbraw/zinc/52/05/77/1037520577.db2.gz ZIDAZMMXZCAXMT-HOTGVXAUSA-N 1 2 351.878 2.976 20 30 FFEDLO C=CC(C)(C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001231274403 1037520584 /nfs/dbraw/zinc/52/05/84/1037520584.db2.gz ZIDAZMMXZCAXMT-HOTGVXAUSA-N 1 2 351.878 2.976 20 30 FFEDLO C#CC[NH+]1CCN(Cc2ccc(Cl)nc2NC(=O)OC(C)(C)C)CC1 ZINC001235719823 1037711627 /nfs/dbraw/zinc/71/16/27/1037711627.db2.gz HUXGAWFOOLPWOO-UHFFFAOYSA-N 1 2 364.877 2.833 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+]1Cc2nn(C)cc2[C@H](COCC2CC2)C1 ZINC001231618511 1037740526 /nfs/dbraw/zinc/74/05/26/1037740526.db2.gz INTAAIPUUFORAG-SFHVURJKSA-N 1 2 366.465 2.826 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+]1Cc2nn(C)cc2[C@H](COCC2CC2)C1 ZINC001231618511 1037740545 /nfs/dbraw/zinc/74/05/45/1037740545.db2.gz INTAAIPUUFORAG-SFHVURJKSA-N 1 2 366.465 2.826 20 30 FFEDLO C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC001207826438 1037762107 /nfs/dbraw/zinc/76/21/07/1037762107.db2.gz OAEBUJCDDNEWCG-SPYBWZPUSA-N 1 2 353.466 2.933 20 30 FFEDLO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC001207826438 1037762123 /nfs/dbraw/zinc/76/21/23/1037762123.db2.gz OAEBUJCDDNEWCG-SPYBWZPUSA-N 1 2 353.466 2.933 20 30 FFEDLO COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001277974795 1037803904 /nfs/dbraw/zinc/80/39/04/1037803904.db2.gz PKKVUYZFTXRNNM-QZTJIDSGSA-N 1 2 359.445 2.688 20 30 FFEDLO COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001277974795 1037803922 /nfs/dbraw/zinc/80/39/22/1037803922.db2.gz PKKVUYZFTXRNNM-QZTJIDSGSA-N 1 2 359.445 2.688 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CCc1cccnc1 ZINC001207884695 1037811629 /nfs/dbraw/zinc/81/16/29/1037811629.db2.gz XLXZJNCCQJPBCP-FOIQADDNSA-N 1 2 366.440 2.662 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CCc1cccnc1 ZINC001207884695 1037811645 /nfs/dbraw/zinc/81/16/45/1037811645.db2.gz XLXZJNCCQJPBCP-FOIQADDNSA-N 1 2 366.440 2.662 20 30 FFEDLO N#CC1(NS(=O)(=O)c2ccccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC001255528236 1037992510 /nfs/dbraw/zinc/99/25/10/1037992510.db2.gz AWWQRHYFKAAJPO-UHFFFAOYSA-N 1 2 373.453 2.662 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2nc(C)cs2)C[C@H]1C ZINC001208129675 1038071035 /nfs/dbraw/zinc/07/10/35/1038071035.db2.gz ZYJDYRCEIWELCW-SIIHOXLZSA-N 1 2 351.516 2.617 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)cs2)C[C@H]1C ZINC001208129675 1038071049 /nfs/dbraw/zinc/07/10/49/1038071049.db2.gz ZYJDYRCEIWELCW-SIIHOXLZSA-N 1 2 351.516 2.617 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001208149983 1038092334 /nfs/dbraw/zinc/09/23/34/1038092334.db2.gz MORLHXCHBSMHNG-IDHHARJASA-N 1 2 365.543 2.871 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001208149983 1038092358 /nfs/dbraw/zinc/09/23/58/1038092358.db2.gz MORLHXCHBSMHNG-IDHHARJASA-N 1 2 365.543 2.871 20 30 FFEDLO C=CCOC(=O)C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)OCC=C ZINC001255697505 1038133754 /nfs/dbraw/zinc/13/37/54/1038133754.db2.gz PPXAQJFPFXLSJH-MJBXVCDLSA-N 1 2 363.376 2.914 20 30 FFEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)c(O)cc1F ZINC001276566640 1038164370 /nfs/dbraw/zinc/16/43/70/1038164370.db2.gz RALBESIBSWHXQN-IBGZPJMESA-N 1 2 363.408 2.931 20 30 FFEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)c(O)cc1F ZINC001276566640 1038164374 /nfs/dbraw/zinc/16/43/74/1038164374.db2.gz RALBESIBSWHXQN-IBGZPJMESA-N 1 2 363.408 2.931 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2CC)C[C@H]1C ZINC001208312816 1038204789 /nfs/dbraw/zinc/20/47/89/1038204789.db2.gz RZWIASUVJPFGSA-CRAIPNDOSA-N 1 2 357.498 2.836 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2CC)C[C@H]1C ZINC001208312816 1038204797 /nfs/dbraw/zinc/20/47/97/1038204797.db2.gz RZWIASUVJPFGSA-CRAIPNDOSA-N 1 2 357.498 2.836 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccsc3)no2)C[C@H]1C ZINC001208318223 1038209578 /nfs/dbraw/zinc/20/95/78/1038209578.db2.gz OWIZQBCYGZHVMC-TZMCWYRMSA-N 1 2 360.483 2.947 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccsc3)no2)C[C@H]1C ZINC001208318223 1038209587 /nfs/dbraw/zinc/20/95/87/1038209587.db2.gz OWIZQBCYGZHVMC-TZMCWYRMSA-N 1 2 360.483 2.947 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(CC)cc2)C[C@H]1C ZINC001208371213 1038260293 /nfs/dbraw/zinc/26/02/93/1038260293.db2.gz KDZGOZZUMZFEJS-YLJYHZDGSA-N 1 2 369.509 2.818 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(CC)cc2)C[C@H]1C ZINC001208371213 1038260299 /nfs/dbraw/zinc/26/02/99/1038260299.db2.gz KDZGOZZUMZFEJS-YLJYHZDGSA-N 1 2 369.509 2.818 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001208393902 1038281170 /nfs/dbraw/zinc/28/11/70/1038281170.db2.gz ZICDPMLJNJPQMT-ZHALLVOQSA-N 1 2 357.498 2.972 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001208393902 1038281179 /nfs/dbraw/zinc/28/11/79/1038281179.db2.gz ZICDPMLJNJPQMT-ZHALLVOQSA-N 1 2 357.498 2.972 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC(F)(F)F)C1 ZINC001208487776 1038352719 /nfs/dbraw/zinc/35/27/19/1038352719.db2.gz IMYKHYBDPQXIEX-IQJOONFLSA-N 1 2 357.214 2.920 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC(F)(F)F)C1 ZINC001208487776 1038352729 /nfs/dbraw/zinc/35/27/29/1038352729.db2.gz IMYKHYBDPQXIEX-IQJOONFLSA-N 1 2 357.214 2.920 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C(C)(C)C(F)F ZINC001208551260 1038405583 /nfs/dbraw/zinc/40/55/83/1038405583.db2.gz ZXKKWVMILGBBJZ-IAQYHMDHSA-N 1 2 353.388 2.925 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C(C)(C)C(F)F ZINC001208551260 1038405590 /nfs/dbraw/zinc/40/55/90/1038405590.db2.gz ZXKKWVMILGBBJZ-IAQYHMDHSA-N 1 2 353.388 2.925 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CCCC(C)C)C2)c1 ZINC001208841823 1038552051 /nfs/dbraw/zinc/55/20/51/1038552051.db2.gz BBKNQDHGLPJLFP-YLJYHZDGSA-N 1 2 369.509 2.869 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)CCCC(C)C)C2)c1 ZINC001208841823 1038552053 /nfs/dbraw/zinc/55/20/53/1038552053.db2.gz BBKNQDHGLPJLFP-YLJYHZDGSA-N 1 2 369.509 2.869 20 30 FFEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001257113851 1038715146 /nfs/dbraw/zinc/71/51/46/1038715146.db2.gz WUIDCMMUZKMLPN-RDBSUJKOSA-N 1 2 360.520 2.616 20 30 FFEDLO N#Cc1cccc(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)c1F ZINC001279010049 1038772406 /nfs/dbraw/zinc/77/24/06/1038772406.db2.gz AAWQZBTXGMYXRV-UHFFFAOYSA-N 1 2 355.335 2.940 20 30 FFEDLO N#Cc1cccc(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)c1F ZINC001279010049 1038772411 /nfs/dbraw/zinc/77/24/11/1038772411.db2.gz AAWQZBTXGMYXRV-UHFFFAOYSA-N 1 2 355.335 2.940 20 30 FFEDLO COC(=O)[C@H](CS)[NH2+]C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001257487597 1038831260 /nfs/dbraw/zinc/83/12/60/1038831260.db2.gz YHWNJTBQIUVPQC-BCLQGDPASA-N 1 2 357.516 2.540 20 30 FFEDLO Cc1ncsc1C[NH+]1CC2(CN(C(=O)c3ccc(C#N)c(C)c3)C2)C1 ZINC001278397851 1038867138 /nfs/dbraw/zinc/86/71/38/1038867138.db2.gz SNCXEKJQTAGERR-UHFFFAOYSA-N 1 2 352.463 2.590 20 30 FFEDLO C[N@@H+]1CCc2c(sc(NC(=S)Nc3ccc(C#N)cc3)c2C(N)=O)C1 ZINC001245877169 1039133368 /nfs/dbraw/zinc/13/33/68/1039133368.db2.gz YCCMYMGBZDCONL-UHFFFAOYSA-N 1 2 371.491 2.515 20 30 FFEDLO C[N@H+]1CCc2c(sc(NC(=S)Nc3ccc(C#N)cc3)c2C(N)=O)C1 ZINC001245877169 1039133376 /nfs/dbraw/zinc/13/33/76/1039133376.db2.gz YCCMYMGBZDCONL-UHFFFAOYSA-N 1 2 371.491 2.515 20 30 FFEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001258546904 1039426001 /nfs/dbraw/zinc/42/60/01/1039426001.db2.gz ADHZMYPEZVXOAV-STQMWFEESA-N 1 2 360.520 2.616 20 30 FFEDLO Cc1cc(NC(=O)COc2cccc(Br)c2C#N)c(C)c[nH+]1 ZINC001537539602 1070204687 /nfs/dbraw/zinc/20/46/87/1070204687.db2.gz DYAXPTSYQUPFTN-UHFFFAOYSA-N 1 2 360.211 2.772 20 30 FFEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1CCC(=O)N(Cc2ccccc2)CC1)C(=O)OCC ZINC001258573152 1039436332 /nfs/dbraw/zinc/43/63/32/1039436332.db2.gz DAHCUEUTSZXLGT-LVCYWYKZSA-N 1 2 356.466 2.665 20 30 FFEDLO C=CCOC[C@H](O)C[N@@H+]1CCn2cc(-c3ccc(F)cc3)nc2C1(C)C ZINC001252473897 1039548765 /nfs/dbraw/zinc/54/87/65/1039548765.db2.gz SAIGRQRYSJAGGJ-QGZVFWFLSA-N 1 2 359.445 2.803 20 30 FFEDLO C=CCOC[C@H](O)C[N@H+]1CCn2cc(-c3ccc(F)cc3)nc2C1(C)C ZINC001252473897 1039548779 /nfs/dbraw/zinc/54/87/79/1039548779.db2.gz SAIGRQRYSJAGGJ-QGZVFWFLSA-N 1 2 359.445 2.803 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)cs3)C[C@H]2C)CCOCC1 ZINC001210660163 1039655713 /nfs/dbraw/zinc/65/57/13/1039655713.db2.gz JHOQIGBBPWHRPN-GDBMZVCRSA-N 1 2 363.527 2.761 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)cs3)C[C@H]2C)CCOCC1 ZINC001210660163 1039655719 /nfs/dbraw/zinc/65/57/19/1039655719.db2.gz JHOQIGBBPWHRPN-GDBMZVCRSA-N 1 2 363.527 2.761 20 30 FFEDLO N#Cc1cc(S(=O)(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)ccc1F ZINC001259417282 1039987497 /nfs/dbraw/zinc/98/74/97/1039987497.db2.gz NZGBZIFLSRUHMP-UHFFFAOYSA-N 1 2 356.382 2.743 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2nonc2C)C[C@H]1C)c1ccccc1 ZINC001211200159 1039992139 /nfs/dbraw/zinc/99/21/39/1039992139.db2.gz MHYHSINAEOFEJM-FHLIZLRMSA-N 1 2 354.454 2.674 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2nonc2C)C[C@H]1C)c1ccccc1 ZINC001211200159 1039992143 /nfs/dbraw/zinc/99/21/43/1039992143.db2.gz MHYHSINAEOFEJM-FHLIZLRMSA-N 1 2 354.454 2.674 20 30 FFEDLO N#CC1(NS(=O)(=O)C2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001259817829 1040224064 /nfs/dbraw/zinc/22/40/64/1040224064.db2.gz LCJIRIKMHHCRIK-UHFFFAOYSA-N 1 2 361.511 2.797 20 30 FFEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260043032 1040372559 /nfs/dbraw/zinc/37/25/59/1040372559.db2.gz WIJYFJDIVFTACS-UHFFFAOYSA-N 1 2 366.446 2.706 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c1OC ZINC001248906036 1040506237 /nfs/dbraw/zinc/50/62/37/1040506237.db2.gz ZOVKMUARYKMDET-UHFFFAOYSA-N 1 2 365.433 2.676 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)[C@@H](C)C(C)C ZINC001213513745 1040629200 /nfs/dbraw/zinc/62/92/00/1040629200.db2.gz FJRGLXPZCCFAHQ-KFKAGJAMSA-N 1 2 362.901 2.799 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)[C@@H](C)C(C)C ZINC001213513745 1040629210 /nfs/dbraw/zinc/62/92/10/1040629210.db2.gz FJRGLXPZCCFAHQ-KFKAGJAMSA-N 1 2 362.901 2.799 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3cnoc3C)C[C@H]2OC)CCCCC1 ZINC001213566947 1040681258 /nfs/dbraw/zinc/68/12/58/1040681258.db2.gz HCDHQRGGRAEWEZ-QZTJIDSGSA-N 1 2 361.486 2.825 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](Cc3cnoc3C)C[C@H]2OC)CCCCC1 ZINC001213566947 1040681265 /nfs/dbraw/zinc/68/12/65/1040681265.db2.gz HCDHQRGGRAEWEZ-QZTJIDSGSA-N 1 2 361.486 2.825 20 30 FFEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213611518 1040718440 /nfs/dbraw/zinc/71/84/40/1040718440.db2.gz BWMGTZSMFBCUEE-GDIGMMSISA-N 1 2 361.461 2.839 20 30 FFEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213611518 1040718453 /nfs/dbraw/zinc/71/84/53/1040718453.db2.gz BWMGTZSMFBCUEE-GDIGMMSISA-N 1 2 361.461 2.839 20 30 FFEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1nc3cc(OC)ccc3[nH]1)C2 ZINC001249414103 1040736110 /nfs/dbraw/zinc/73/61/10/1040736110.db2.gz SAYZOECEDLLZAC-OXJNMPFZSA-N 1 2 357.454 2.898 20 30 FFEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1nc3cc(OC)ccc3[nH]1)C2 ZINC001249414103 1040736125 /nfs/dbraw/zinc/73/61/25/1040736125.db2.gz SAYZOECEDLLZAC-OXJNMPFZSA-N 1 2 357.454 2.898 20 30 FFEDLO CCC[C@H](CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213638239 1040751241 /nfs/dbraw/zinc/75/12/41/1040751241.db2.gz FMHFFHKDYURIFT-KFKAGJAMSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC[C@H](CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213638239 1040751261 /nfs/dbraw/zinc/75/12/61/1040751261.db2.gz FMHFFHKDYURIFT-KFKAGJAMSA-N 1 2 361.461 2.839 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@@H](C)CC(C)C ZINC001213710730 1040819802 /nfs/dbraw/zinc/81/98/02/1040819802.db2.gz CZIFUQLYNRMVDF-PWIZWCRZSA-N 1 2 357.498 2.946 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@@H](C)CC(C)C ZINC001213710730 1040819825 /nfs/dbraw/zinc/81/98/25/1040819825.db2.gz CZIFUQLYNRMVDF-PWIZWCRZSA-N 1 2 357.498 2.946 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(Cc3ccccc3C)o2)C1 ZINC001214305952 1041370214 /nfs/dbraw/zinc/37/02/14/1041370214.db2.gz PYQRFXABRUGZBA-SJLPKXTDSA-N 1 2 368.481 2.872 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C(F)(F)F)s2)C1 ZINC001215434050 1041780810 /nfs/dbraw/zinc/78/08/10/1041780810.db2.gz NCHIWBBMRKTXQF-GHMZBOCLSA-N 1 2 362.421 2.850 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(OCC)s3)C2)CC1 ZINC001215471792 1041794984 /nfs/dbraw/zinc/79/49/84/1041794984.db2.gz CFOIYEOKQBFOBQ-ZIAGYGMSSA-N 1 2 364.515 2.620 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@](C)(OC)C1 ZINC001262977757 1042004328 /nfs/dbraw/zinc/00/43/28/1042004328.db2.gz NRNAUJYZOGDKDU-FQEVSTJZSA-N 1 2 372.517 2.562 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(COC)no2)C1 ZINC001216519519 1042046993 /nfs/dbraw/zinc/04/69/93/1042046993.db2.gz DWTRBNRJPXSJKR-HZPDHXFCSA-N 1 2 366.506 2.903 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(CC#N)CC1 ZINC001263344037 1042252070 /nfs/dbraw/zinc/25/20/70/1042252070.db2.gz RPOSZFLRLSPOEZ-SFHVURJKSA-N 1 2 372.517 2.766 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(CC#N)CC1 ZINC001263344037 1042252077 /nfs/dbraw/zinc/25/20/77/1042252077.db2.gz RPOSZFLRLSPOEZ-SFHVURJKSA-N 1 2 372.517 2.766 20 30 FFEDLO C=CCN(c1nnc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC1CC1)C1CC1 ZINC001263752593 1042466853 /nfs/dbraw/zinc/46/68/53/1042466853.db2.gz MMAFOPNRQJUITP-QZTJIDSGSA-N 1 2 357.502 2.769 20 30 FFEDLO C=CCN(c1nnc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC1CC1)C1CC1 ZINC001263752593 1042466856 /nfs/dbraw/zinc/46/68/56/1042466856.db2.gz MMAFOPNRQJUITP-QZTJIDSGSA-N 1 2 357.502 2.769 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nnc(C)[nH]2)C[C@H]1c1ccccc1 ZINC001263886112 1042509362 /nfs/dbraw/zinc/50/93/62/1042509362.db2.gz YHRKTFACNOSZSA-JCGIZDLHSA-N 1 2 367.497 2.971 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nnc(C)[nH]2)C[C@H]1c1ccccc1 ZINC001263886112 1042509369 /nfs/dbraw/zinc/50/93/69/1042509369.db2.gz YHRKTFACNOSZSA-JCGIZDLHSA-N 1 2 367.497 2.971 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccoc2)C1 ZINC001264596263 1042733384 /nfs/dbraw/zinc/73/33/84/1042733384.db2.gz NVMQSLRKGRBWAD-WOJBJXKFSA-N 1 2 370.424 2.656 20 30 FFEDLO COCC#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccoc2)C1 ZINC001264596263 1042733390 /nfs/dbraw/zinc/73/33/90/1042733390.db2.gz NVMQSLRKGRBWAD-WOJBJXKFSA-N 1 2 370.424 2.656 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@@H+](Cc2csc(CCC)n2)[C@@H]1CC ZINC001264606466 1042740317 /nfs/dbraw/zinc/74/03/17/1042740317.db2.gz QOXCQFMDFFYHJQ-FCEWJHQRSA-N 1 2 365.543 2.892 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](Cc2csc(CCC)n2)[C@@H]1CC ZINC001264606466 1042740321 /nfs/dbraw/zinc/74/03/21/1042740321.db2.gz QOXCQFMDFFYHJQ-FCEWJHQRSA-N 1 2 365.543 2.892 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1csc(Cl)n1 ZINC001265046552 1042840713 /nfs/dbraw/zinc/84/07/13/1042840713.db2.gz IMHMADFZIYZVCS-KBPBESRZSA-N 1 2 357.907 2.716 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1csc(Cl)n1 ZINC001265046552 1042840717 /nfs/dbraw/zinc/84/07/17/1042840717.db2.gz IMHMADFZIYZVCS-KBPBESRZSA-N 1 2 357.907 2.716 20 30 FFEDLO Cn1cc(CN2C[C@@H]3CC[N@H+](Cc4cc(F)ccc4F)[C@@H]3C2)cc1C#N ZINC001279214440 1042947871 /nfs/dbraw/zinc/94/78/71/1042947871.db2.gz NHXMVLJRVZSFIK-MGPUTAFESA-N 1 2 356.420 2.881 20 30 FFEDLO Cn1cc(CN2C[C@@H]3CC[N@@H+](Cc4cc(F)ccc4F)[C@@H]3C2)cc1C#N ZINC001279214440 1042947875 /nfs/dbraw/zinc/94/78/75/1042947875.db2.gz NHXMVLJRVZSFIK-MGPUTAFESA-N 1 2 356.420 2.881 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CCCC(F)(F)F)c(F)c1 ZINC001279225678 1042952629 /nfs/dbraw/zinc/95/26/29/1042952629.db2.gz BVVLQIUBYNPTSV-IYBDPMFKSA-N 1 2 371.378 2.925 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CCCC(F)(F)F)c(F)c1 ZINC001279225678 1042952632 /nfs/dbraw/zinc/95/26/32/1042952632.db2.gz BVVLQIUBYNPTSV-IYBDPMFKSA-N 1 2 371.378 2.925 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)Cc2c1cnn2CC1CC1 ZINC001237462636 1043180648 /nfs/dbraw/zinc/18/06/48/1043180648.db2.gz IOGNMXSJQHEOCA-KRWDZBQOSA-N 1 2 351.454 2.696 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)Cc2c1cnn2CC1CC1 ZINC001237462636 1043180652 /nfs/dbraw/zinc/18/06/52/1043180652.db2.gz IOGNMXSJQHEOCA-KRWDZBQOSA-N 1 2 351.454 2.696 20 30 FFEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cc(OC)nc(OC)c1)CCO2 ZINC001237560193 1043241882 /nfs/dbraw/zinc/24/18/82/1043241882.db2.gz TUNMOHMSFGWHTF-FXAWDEMLSA-N 1 2 362.470 2.673 20 30 FFEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cc(OC)nc(OC)c1)CCO2 ZINC001237560193 1043241893 /nfs/dbraw/zinc/24/18/93/1043241893.db2.gz TUNMOHMSFGWHTF-FXAWDEMLSA-N 1 2 362.470 2.673 20 30 FFEDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237608172 1043267485 /nfs/dbraw/zinc/26/74/85/1043267485.db2.gz FDCRCAUJHLTCTN-OAHLLOKOSA-N 1 2 369.469 2.895 20 30 FFEDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237608172 1043267492 /nfs/dbraw/zinc/26/74/92/1043267492.db2.gz FDCRCAUJHLTCTN-OAHLLOKOSA-N 1 2 369.469 2.895 20 30 FFEDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc(C#N)c2Cl)C[C@@H]1C(C)(C)C ZINC001309832502 1043545551 /nfs/dbraw/zinc/54/55/51/1043545551.db2.gz IILGFUSHMSKMTM-CQSZACIVSA-N 1 2 355.891 2.562 20 30 FFEDLO C[N@H+]1CCN(S(=O)(=O)c2cccc(C#N)c2Cl)C[C@@H]1C(C)(C)C ZINC001309832502 1043545561 /nfs/dbraw/zinc/54/55/61/1043545561.db2.gz IILGFUSHMSKMTM-CQSZACIVSA-N 1 2 355.891 2.562 20 30 FFEDLO N#CC1(NC(=O)c2cc3c([nH]2)C[N@H+](CCCC(F)(F)F)CC3)CCC1 ZINC001279890723 1043862724 /nfs/dbraw/zinc/86/27/24/1043862724.db2.gz QCEIYDFRWNFHCZ-UHFFFAOYSA-N 1 2 354.376 2.891 20 30 FFEDLO N#CC1(NC(=O)c2cc3c([nH]2)C[N@@H+](CCCC(F)(F)F)CC3)CCC1 ZINC001279890723 1043862742 /nfs/dbraw/zinc/86/27/42/1043862742.db2.gz QCEIYDFRWNFHCZ-UHFFFAOYSA-N 1 2 354.376 2.891 20 30 FFEDLO N#Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1C#N ZINC001538986344 1070530641 /nfs/dbraw/zinc/53/06/41/1070530641.db2.gz JGLZOVQDBBUEMS-UHFFFAOYSA-N 1 2 358.317 2.776 20 30 FFEDLO Cc1ccc(C#N)c(NC(=O)[C@H]2CCSC23C[NH+](Cc2cn[nH]c2)C3)c1 ZINC001279918546 1043922422 /nfs/dbraw/zinc/92/24/22/1043922422.db2.gz SBHMNPGGMZZNJB-MRXNPFEDSA-N 1 2 367.478 2.536 20 30 FFEDLO Cc1ncsc1C[NH+]1CC2(CN(C(=S)Nc3ccccc3C#N)C2)C1 ZINC001279985947 1044040879 /nfs/dbraw/zinc/04/08/79/1044040879.db2.gz LHBOADSUWPETSA-UHFFFAOYSA-N 1 2 369.519 2.838 20 30 FFEDLO N#CCC1CN(C(=O)[C@]23C[C@H]2CC[N@H+]3Cc2ccccc2OC(F)F)C1 ZINC001280205724 1044396916 /nfs/dbraw/zinc/39/69/16/1044396916.db2.gz CWEHRJPBIJBIIC-BEFAXECRSA-N 1 2 361.392 2.624 20 30 FFEDLO N#CCC1CN(C(=O)[C@]23C[C@H]2CC[N@@H+]3Cc2ccccc2OC(F)F)C1 ZINC001280205724 1044396926 /nfs/dbraw/zinc/39/69/26/1044396926.db2.gz CWEHRJPBIJBIIC-BEFAXECRSA-N 1 2 361.392 2.624 20 30 FFEDLO C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1Cc1c[nH+]ccc1OC ZINC001539182777 1070580985 /nfs/dbraw/zinc/58/09/85/1070580985.db2.gz LQYWMFUPPLMCQR-UHFFFAOYSA-N 1 2 365.412 2.529 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N(C)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001281291716 1044851839 /nfs/dbraw/zinc/85/18/39/1044851839.db2.gz WQHRUSUQBPWMRX-QINHECLXSA-N 1 2 360.502 2.811 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N(C)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001281291716 1044851859 /nfs/dbraw/zinc/85/18/59/1044851859.db2.gz WQHRUSUQBPWMRX-QINHECLXSA-N 1 2 360.502 2.811 20 30 FFEDLO COC(=O)c1cc(C#N)cc(-c2cc(F)ccc2C[NH+]2CCOCC2)c1 ZINC001243088646 1044863191 /nfs/dbraw/zinc/86/31/91/1044863191.db2.gz YAKUYCDVNHVLKN-UHFFFAOYSA-N 1 2 354.381 2.983 20 30 FFEDLO COC(=O)c1ccc(C#N)cc1-c1cc(F)ccc1C[NH+]1CCOCC1 ZINC001243101777 1044864068 /nfs/dbraw/zinc/86/40/68/1044864068.db2.gz ZEVABHNZLVRYMI-UHFFFAOYSA-N 1 2 354.381 2.983 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C)C(C)C ZINC001316783287 1044954654 /nfs/dbraw/zinc/95/46/54/1044954654.db2.gz RMBUOAXTGPSUEU-CCKFTAQKSA-N 1 2 361.461 2.837 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C)C(C)C ZINC001316783287 1044954675 /nfs/dbraw/zinc/95/46/75/1044954675.db2.gz RMBUOAXTGPSUEU-CCKFTAQKSA-N 1 2 361.461 2.837 20 30 FFEDLO CC(C)n1ccc(C[N@@H+]2CC[C@H](NC(=O)CC#Cc3ccccc3)[C@H]2C)n1 ZINC001316798883 1045019099 /nfs/dbraw/zinc/01/90/99/1045019099.db2.gz FQVRNWOSVVGJON-NQIIRXRSSA-N 1 2 364.493 2.985 20 30 FFEDLO CC(C)n1ccc(C[N@H+]2CC[C@H](NC(=O)CC#Cc3ccccc3)[C@H]2C)n1 ZINC001316798883 1045019108 /nfs/dbraw/zinc/01/91/08/1045019108.db2.gz FQVRNWOSVVGJON-NQIIRXRSSA-N 1 2 364.493 2.985 20 30 FFEDLO N#CCn1c(=O)c2ccccc2nc1C[NH+]1CCC(c2ccncc2)CC1 ZINC001321929175 1045876538 /nfs/dbraw/zinc/87/65/38/1045876538.db2.gz DWDMRVVFENNMII-UHFFFAOYSA-N 1 2 359.433 2.695 20 30 FFEDLO C=CCC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3[nH+]ccn31)C2 ZINC001282660223 1046033996 /nfs/dbraw/zinc/03/39/96/1046033996.db2.gz WJHZCWVVUQVTRM-PMPSAXMXSA-N 1 2 366.465 2.798 20 30 FFEDLO C#CCCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001282775105 1046184159 /nfs/dbraw/zinc/18/41/59/1046184159.db2.gz UGIIUYBRSXJUEO-KURKYZTESA-N 1 2 353.466 2.672 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC001324829414 1046245964 /nfs/dbraw/zinc/24/59/64/1046245964.db2.gz UTZDMCSHNJWBMZ-LPHOPBHVSA-N 1 2 363.465 2.943 20 30 FFEDLO CCOC(=O)c1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)[nH]n1 ZINC001326324573 1046873882 /nfs/dbraw/zinc/87/38/82/1046873882.db2.gz DFDYWOHNWBJFAL-UHFFFAOYSA-N 1 2 354.410 2.501 20 30 FFEDLO C=C(C)CCC(=O)N[C@@]12CCC[C@@H]1N(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC2 ZINC001287973863 1047383528 /nfs/dbraw/zinc/38/35/28/1047383528.db2.gz KOSYKXCBFIJYRM-KALAIVBUSA-N 1 2 370.497 2.520 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001290630788 1048263478 /nfs/dbraw/zinc/26/34/78/1048263478.db2.gz FTPZJHZJXIIARM-WBVHZDCISA-N 1 2 354.454 2.718 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001291914810 1048990286 /nfs/dbraw/zinc/99/02/86/1048990286.db2.gz JORKJTCWIOTEHO-MHORFTMASA-N 1 2 358.486 2.514 20 30 FFEDLO N#Cc1ccc2[nH]c(NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccncc3)nc2c1 ZINC001330034103 1049014301 /nfs/dbraw/zinc/01/43/01/1049014301.db2.gz HLVKARCCVIMVJB-GOSISDBHSA-N 1 2 360.421 2.823 20 30 FFEDLO N#Cc1ccc2[nH]c(NC(=O)[C@H]3CCCC[N@H+]3Cc3ccncc3)nc2c1 ZINC001330034103 1049014313 /nfs/dbraw/zinc/01/43/13/1049014313.db2.gz HLVKARCCVIMVJB-GOSISDBHSA-N 1 2 360.421 2.823 20 30 FFEDLO C=CCC1(C(=O)NCC2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCC1 ZINC001333729894 1049085607 /nfs/dbraw/zinc/08/56/07/1049085607.db2.gz WSZUZTAHQORHOU-BHUNQDJPSA-N 1 2 370.497 2.661 20 30 FFEDLO C=CCC1(C(=O)NCC2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCC1 ZINC001333729894 1049085623 /nfs/dbraw/zinc/08/56/23/1049085623.db2.gz WSZUZTAHQORHOU-BHUNQDJPSA-N 1 2 370.497 2.661 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001292304630 1049262310 /nfs/dbraw/zinc/26/23/10/1049262310.db2.gz YYZCHNVSDGGZED-YWZLYKJASA-N 1 2 358.486 2.541 20 30 FFEDLO C=CC1(CC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CCCCC1 ZINC001292412168 1049336810 /nfs/dbraw/zinc/33/68/10/1049336810.db2.gz BWNYCHDYVHUYCX-IAGOWNOFSA-N 1 2 370.497 2.711 20 30 FFEDLO C=CC1(CC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CCCCC1 ZINC001292412168 1049336821 /nfs/dbraw/zinc/33/68/21/1049336821.db2.gz BWNYCHDYVHUYCX-IAGOWNOFSA-N 1 2 370.497 2.711 20 30 FFEDLO Cn1c(CC#N)nn(C[N@@H+]2CCCC[C@@H]2CC2(O)CCCCC2)c1=S ZINC001331062540 1049457620 /nfs/dbraw/zinc/45/76/20/1049457620.db2.gz UFVRRUIFLZRGED-OAHLLOKOSA-N 1 2 363.531 2.914 20 30 FFEDLO Cn1c(CC#N)nn(C[N@H+]2CCCC[C@@H]2CC2(O)CCCCC2)c1=S ZINC001331062540 1049457628 /nfs/dbraw/zinc/45/76/28/1049457628.db2.gz UFVRRUIFLZRGED-OAHLLOKOSA-N 1 2 363.531 2.914 20 30 FFEDLO Cc1[nH]c(CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)[nH+]c1C ZINC001294518523 1049764600 /nfs/dbraw/zinc/76/46/00/1049764600.db2.gz CGEAYMLEGNDWLX-CQSZACIVSA-N 1 2 363.462 2.620 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001297531896 1050208334 /nfs/dbraw/zinc/20/83/34/1050208334.db2.gz OOBRWJYFJJYKAO-BZUAXINKSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001297531896 1050208345 /nfs/dbraw/zinc/20/83/45/1050208345.db2.gz OOBRWJYFJJYKAO-BZUAXINKSA-N 1 2 358.486 2.661 20 30 FFEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@@H](O)CC[C@H](O)c2ccccc2)C1 ZINC001341614366 1050241800 /nfs/dbraw/zinc/24/18/00/1050241800.db2.gz GILUEZKVVHEARG-JAXLGGSGSA-N 1 2 365.477 2.813 20 30 FFEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@@H](O)CC[C@H](O)c2ccccc2)C1 ZINC001341614366 1050241813 /nfs/dbraw/zinc/24/18/13/1050241813.db2.gz GILUEZKVVHEARG-JAXLGGSGSA-N 1 2 365.477 2.813 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccccc2F)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339857493 1050275037 /nfs/dbraw/zinc/27/50/37/1050275037.db2.gz VXJXMCACFLTLSZ-SXGZJXTBSA-N 1 2 373.476 2.712 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccccc2F)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339857493 1050275051 /nfs/dbraw/zinc/27/50/51/1050275051.db2.gz VXJXMCACFLTLSZ-SXGZJXTBSA-N 1 2 373.476 2.712 20 30 FFEDLO C=CCn1c(N(Cc2ccccc2)C(C)C)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339857737 1050275335 /nfs/dbraw/zinc/27/53/35/1050275335.db2.gz YDOFUVLZDXYWRC-GHTZIAJQSA-N 1 2 369.513 2.791 20 30 FFEDLO C=CCn1c(N(Cc2ccccc2)C(C)C)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001339857737 1050275343 /nfs/dbraw/zinc/27/53/43/1050275343.db2.gz YDOFUVLZDXYWRC-GHTZIAJQSA-N 1 2 369.513 2.791 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001340194550 1050603025 /nfs/dbraw/zinc/60/30/25/1050603025.db2.gz BWJPLDSDHHISDB-TVFCKZIOSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001340194550 1050603029 /nfs/dbraw/zinc/60/30/29/1050603029.db2.gz BWJPLDSDHHISDB-TVFCKZIOSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)Cc1ccoc1 ZINC001342013324 1050609337 /nfs/dbraw/zinc/60/93/37/1050609337.db2.gz YLXDSVBRJNGOAN-IRXDYDNUSA-N 1 2 357.458 2.619 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)Cc1ccoc1 ZINC001342013324 1050609344 /nfs/dbraw/zinc/60/93/44/1050609344.db2.gz YLXDSVBRJNGOAN-IRXDYDNUSA-N 1 2 357.458 2.619 20 30 FFEDLO C=CCn1c([C@@H](CC)OCC)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001342163514 1050754498 /nfs/dbraw/zinc/75/44/98/1050754498.db2.gz CXGIQSBVSQNPLU-QGZVFWFLSA-N 1 2 370.501 2.975 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001342191456 1050783163 /nfs/dbraw/zinc/78/31/63/1050783163.db2.gz IQNBHQZZKAFOFS-SOLBZPMBSA-N 1 2 358.486 2.566 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001342234119 1050824272 /nfs/dbraw/zinc/82/42/72/1050824272.db2.gz RHVIFHLVVUPCHH-ZWKOTPCHSA-N 1 2 359.518 2.703 20 30 FFEDLO C=CCn1c(-c2ccc(C#N)[nH]2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001342240588 1050830875 /nfs/dbraw/zinc/83/08/75/1050830875.db2.gz BNYIVBIFPOZWSR-UHFFFAOYSA-N 1 2 374.452 2.807 20 30 FFEDLO C=CCn1c(N(C)[C@@H](C)c2ccccc2C)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340569877 1050957119 /nfs/dbraw/zinc/95/71/19/1050957119.db2.gz FLWQPLQIRXPTCX-CSODHUTKSA-N 1 2 369.513 2.882 20 30 FFEDLO C=CCn1c(N(C)[C@@H](C)c2ccccc2C)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340569877 1050957125 /nfs/dbraw/zinc/95/71/25/1050957125.db2.gz FLWQPLQIRXPTCX-CSODHUTKSA-N 1 2 369.513 2.882 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc([C@@]2(C)C[C@H](O)C[N@H+]2C)n1CC=C ZINC001342386231 1050980622 /nfs/dbraw/zinc/98/06/22/1050980622.db2.gz TXPUPERZYXMYRC-HNAYVOBHSA-N 1 2 373.526 2.630 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc([C@@]2(C)C[C@H](O)C[N@@H+]2C)n1CC=C ZINC001342386231 1050980636 /nfs/dbraw/zinc/98/06/36/1050980636.db2.gz TXPUPERZYXMYRC-HNAYVOBHSA-N 1 2 373.526 2.630 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc([C@]2(C)C[C@@H](O)C[N@@H+]2C)n1CC ZINC001342562785 1051167008 /nfs/dbraw/zinc/16/70/08/1051167008.db2.gz KPRZDDYSMIZXDJ-UZLBHIALSA-N 1 2 373.476 2.541 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc([C@]2(C)C[C@@H](O)C[N@H+]2C)n1CC ZINC001342562785 1051167014 /nfs/dbraw/zinc/16/70/14/1051167014.db2.gz KPRZDDYSMIZXDJ-UZLBHIALSA-N 1 2 373.476 2.541 20 30 FFEDLO C[C@H](CC#N)N(C)c1nnc(CC2CC2)n1CCCNc1cccc[nH+]1 ZINC001303636736 1051410014 /nfs/dbraw/zinc/41/00/14/1051410014.db2.gz NYAUVMFGIIKPKW-OAHLLOKOSA-N 1 2 353.474 2.866 20 30 FFEDLO CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001341168676 1051523184 /nfs/dbraw/zinc/52/31/84/1051523184.db2.gz WBQYFILSKHGHTD-NVXWUHKLSA-N 1 2 370.888 2.901 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC=C(C)CC1 ZINC001343001612 1051617485 /nfs/dbraw/zinc/61/74/85/1051617485.db2.gz YDHKERDAZMCNRR-QZTJIDSGSA-N 1 2 357.502 2.936 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC=C(C)CC1 ZINC001343001612 1051617490 /nfs/dbraw/zinc/61/74/90/1051617490.db2.gz YDHKERDAZMCNRR-QZTJIDSGSA-N 1 2 357.502 2.936 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3C[N@H+](C(C)C)CCO3)n2CC(=C)C)C1 ZINC001343007797 1051622760 /nfs/dbraw/zinc/62/27/60/1051622760.db2.gz UUVVVDFQSXMSKY-MOPGFXCFSA-N 1 2 371.529 2.876 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3C[N@@H+](C(C)C)CCO3)n2CC(=C)C)C1 ZINC001343007797 1051622766 /nfs/dbraw/zinc/62/27/66/1051622766.db2.gz UUVVVDFQSXMSKY-MOPGFXCFSA-N 1 2 371.529 2.876 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc(Cc2[nH+]ccn2C)n1C[C@@H]1CCCO1 ZINC001343135817 1051756718 /nfs/dbraw/zinc/75/67/18/1051756718.db2.gz CABVWAXEBDAXBS-SJORKVTESA-N 1 2 370.501 2.716 20 30 FFEDLO C#CCN(CC#C)c1nnc([C@H]2CCCC[N@H+]2C)n1Cc1cccs1 ZINC001344987839 1052183014 /nfs/dbraw/zinc/18/30/14/1052183014.db2.gz WDSKKOFVAAFKGU-QGZVFWFLSA-N 1 2 353.495 2.618 20 30 FFEDLO C#CCN(CC#C)c1nnc([C@H]2CCCC[N@@H+]2C)n1Cc1cccs1 ZINC001344987839 1052183018 /nfs/dbraw/zinc/18/30/18/1052183018.db2.gz WDSKKOFVAAFKGU-QGZVFWFLSA-N 1 2 353.495 2.618 20 30 FFEDLO C[N@@H+]1CCC[C@H]1c1nnc(N2CCC(C#N)CC2)n1Cc1cccs1 ZINC001343558858 1052305478 /nfs/dbraw/zinc/30/54/78/1052305478.db2.gz NPBOPDYWPYMSQZ-INIZCTEOSA-N 1 2 356.499 2.895 20 30 FFEDLO C[N@H+]1CCC[C@H]1c1nnc(N2CCC(C#N)CC2)n1Cc1cccs1 ZINC001343558858 1052305481 /nfs/dbraw/zinc/30/54/81/1052305481.db2.gz NPBOPDYWPYMSQZ-INIZCTEOSA-N 1 2 356.499 2.895 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@H]3CC[C@@H](C(F)(F)F)O3)CC2)c(F)c1 ZINC001307449828 1052308388 /nfs/dbraw/zinc/30/83/88/1052308388.db2.gz NMXQIQNNCYFVRD-CJNGLKHVSA-N 1 2 357.351 2.929 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(=C)CC1 ZINC001343780653 1052415731 /nfs/dbraw/zinc/41/57/31/1052415731.db2.gz QYZNYOGYEJIJRY-QZTJIDSGSA-N 1 2 357.502 2.936 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(=C)CC1 ZINC001343780653 1052415735 /nfs/dbraw/zinc/41/57/35/1052415735.db2.gz QYZNYOGYEJIJRY-QZTJIDSGSA-N 1 2 357.502 2.936 20 30 FFEDLO C[C@@H]([NH2+][C@H](CO)c1cc(F)ccc1F)C(=O)N(CCC#N)c1ccccc1 ZINC001308156986 1052419363 /nfs/dbraw/zinc/41/93/63/1052419363.db2.gz AHBXZUAZLQQYPS-AUUYWEPGSA-N 1 2 373.403 2.923 20 30 FFEDLO C=CCC1(O)CCN(c2nnc(C[NH+]3CCCCC3)n2CC2CC2)CC1 ZINC001345686252 1052575162 /nfs/dbraw/zinc/57/51/62/1052575162.db2.gz HFNYVZBFDGKXOD-UHFFFAOYSA-N 1 2 359.518 2.581 20 30 FFEDLO COCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001345706843 1052582886 /nfs/dbraw/zinc/58/28/86/1052582886.db2.gz TVAWQFIVYAOGFR-DLBZAZTESA-N 1 2 374.533 2.642 20 30 FFEDLO Cc1cccc(C#N)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001309317133 1052597909 /nfs/dbraw/zinc/59/79/09/1052597909.db2.gz QVSXSSPXZJSJJL-QZTJIDSGSA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1cccc(C#N)c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001309317133 1052597914 /nfs/dbraw/zinc/59/79/14/1052597914.db2.gz QVSXSSPXZJSJJL-QZTJIDSGSA-N 1 2 373.453 2.730 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001344107628 1052600808 /nfs/dbraw/zinc/60/08/08/1052600808.db2.gz NXUSODPJLHPUNS-UHFFFAOYSA-N 1 2 357.410 2.901 20 30 FFEDLO C=C(C)Cn1c(N2CC=C(C(C)(C)C)CC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001345961724 1052686142 /nfs/dbraw/zinc/68/61/42/1052686142.db2.gz KSLFTUZZDDUPNE-UWJYYQICSA-N 1 2 373.545 2.948 20 30 FFEDLO C=C(C)Cn1c(N2CC=C(C(C)(C)C)CC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001345961724 1052686144 /nfs/dbraw/zinc/68/61/44/1052686144.db2.gz KSLFTUZZDDUPNE-UWJYYQICSA-N 1 2 373.545 2.948 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(F)(F)C1 ZINC001346188119 1052781555 /nfs/dbraw/zinc/78/15/55/1052781555.db2.gz QQSHAQVQOQNWFW-UHFFFAOYSA-N 1 2 364.444 2.793 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2CCCC[N@H+]2C)n1C[C@@H]1CCCO1 ZINC001344728650 1052905876 /nfs/dbraw/zinc/90/58/76/1052905876.db2.gz CCBNKBBZIOGZQI-FGTMMUONSA-N 1 2 357.502 2.606 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2CCCC[N@@H+]2C)n1C[C@@H]1CCCO1 ZINC001344728650 1052905878 /nfs/dbraw/zinc/90/58/78/1052905878.db2.gz CCBNKBBZIOGZQI-FGTMMUONSA-N 1 2 357.502 2.606 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCOC1 ZINC001346608237 1053153927 /nfs/dbraw/zinc/15/39/27/1053153927.db2.gz HIQLUTDRAWHPQQ-MBOZVWFJSA-N 1 2 372.517 2.601 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCOC1 ZINC001346608237 1053153932 /nfs/dbraw/zinc/15/39/32/1053153932.db2.gz HIQLUTDRAWHPQQ-MBOZVWFJSA-N 1 2 372.517 2.601 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1cc[nH+]c(NCC)c1 ZINC001346810274 1053331618 /nfs/dbraw/zinc/33/16/18/1053331618.db2.gz IUKXFDCXXXGBQY-UHFFFAOYSA-N 1 2 358.442 2.887 20 30 FFEDLO CCC(C#N)(CC)C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001347948520 1054491038 /nfs/dbraw/zinc/49/10/38/1054491038.db2.gz JKAUSCVTFTUWRW-UHFFFAOYSA-N 1 2 360.479 2.805 20 30 FFEDLO COc1cccc([C@@H]2CN(C(=O)[C@]3(C#N)CC4CCC3CC4)CC[NH2+]2)c1 ZINC001337376269 1054702021 /nfs/dbraw/zinc/70/20/21/1054702021.db2.gz FIZHXNUGPDCRFC-GAZSUAHGSA-N 1 2 353.466 2.888 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2C[C@@H]2CCOC2)C1 ZINC001349036661 1055061426 /nfs/dbraw/zinc/06/14/26/1055061426.db2.gz YYCNGZYQFBTAKU-OALUTQOASA-N 1 2 371.529 2.540 20 30 FFEDLO C=CCn1c([C@@H](O)/C=C/CC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001351981922 1055099744 /nfs/dbraw/zinc/09/97/44/1055099744.db2.gz VKWZVQGDLZPOEZ-JZLODUJNSA-N 1 2 368.485 2.940 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H](CC(F)(F)F)C1 ZINC001352092792 1055187441 /nfs/dbraw/zinc/18/74/41/1055187441.db2.gz BEIVHDMPZWYHCX-CYBMUJFWSA-N 1 2 368.407 2.957 20 30 FFEDLO CS[C@@H]1CCCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2C)C1 ZINC001338139783 1055264304 /nfs/dbraw/zinc/26/43/04/1055264304.db2.gz ZBWPLGLMPOLYLU-MRXNPFEDSA-N 1 2 362.547 2.630 20 30 FFEDLO CN(Cc1cc(F)cc(F)c1)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001338298188 1055397812 /nfs/dbraw/zinc/39/78/12/1055397812.db2.gz SQKLZXXTNOXUMA-UHFFFAOYSA-N 1 2 374.439 2.823 20 30 FFEDLO C=CCCCN(CC)C(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001356425958 1055500085 /nfs/dbraw/zinc/50/00/85/1055500085.db2.gz XUSUSIDDWZJMIF-UHFFFAOYSA-N 1 2 372.513 2.740 20 30 FFEDLO C=C(C)Cn1c(Cc2ccco2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001357192574 1055814613 /nfs/dbraw/zinc/81/46/13/1055814613.db2.gz WJWPBRDLUQOZHO-UHFFFAOYSA-N 1 2 364.453 2.760 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@]2(CCSC2)C1 ZINC001338923234 1055937107 /nfs/dbraw/zinc/93/71/07/1055937107.db2.gz FNZDESAQSQEWGC-LJQANCHMSA-N 1 2 374.558 2.632 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)C[C@H]1CCOC1 ZINC001339022867 1056023729 /nfs/dbraw/zinc/02/37/29/1056023729.db2.gz JBBHQCMCFLNWCG-IAGOWNOFSA-N 1 2 358.490 2.769 20 30 FFEDLO O=C(NCC#C[C@@H]1CCCCO1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC001351187037 1056125861 /nfs/dbraw/zinc/12/58/61/1056125861.db2.gz ONWMSUIEERBNLR-KRWDZBQOSA-N 1 2 368.437 2.656 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001339367913 1056380316 /nfs/dbraw/zinc/38/03/16/1056380316.db2.gz MKERBPKNLUXJPB-CABCVRRESA-N 1 2 362.547 2.721 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001339486629 1056501976 /nfs/dbraw/zinc/50/19/76/1056501976.db2.gz WZHTTZOWCFQMSI-KSZLIROESA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001339486629 1056501987 /nfs/dbraw/zinc/50/19/87/1056501987.db2.gz WZHTTZOWCFQMSI-KSZLIROESA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1ccccc1O ZINC001339486111 1056502486 /nfs/dbraw/zinc/50/24/86/1056502486.db2.gz QLKANCDGEZKAPN-SFHVURJKSA-N 1 2 371.485 2.588 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1ccccc1O ZINC001339486111 1056502500 /nfs/dbraw/zinc/50/25/00/1056502500.db2.gz QLKANCDGEZKAPN-SFHVURJKSA-N 1 2 371.485 2.588 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCCC2(CCCC2)CC1 ZINC001339528259 1056550434 /nfs/dbraw/zinc/55/04/34/1056550434.db2.gz ABXBBVWXVPVUOZ-SJORKVTESA-N 1 2 359.518 2.752 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCCC2(CCCC2)CC1 ZINC001339528259 1056550448 /nfs/dbraw/zinc/55/04/48/1056550448.db2.gz ABXBBVWXVPVUOZ-SJORKVTESA-N 1 2 359.518 2.752 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H]1Cc1ccnn1C ZINC001339542454 1056564701 /nfs/dbraw/zinc/56/47/01/1056564701.db2.gz UAFHYLHNQQUBES-ROUUACIJSA-N 1 2 369.517 2.566 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H]1Cc1ccnn1C ZINC001339542454 1056564714 /nfs/dbraw/zinc/56/47/14/1056564714.db2.gz UAFHYLHNQQUBES-ROUUACIJSA-N 1 2 369.517 2.566 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(C2CCCC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001358887956 1056583473 /nfs/dbraw/zinc/58/34/73/1056583473.db2.gz FSEPEYBURIRENI-HNNXBMFYSA-N 1 2 352.486 2.903 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCC2(C)C)CC1 ZINC001359039491 1056670334 /nfs/dbraw/zinc/67/03/34/1056670334.db2.gz LHZFJCPPMRZKTA-ZWKOTPCHSA-N 1 2 371.529 2.711 20 30 FFEDLO CC(=O)c1ccc(C(=O)OCC#Cc2csc(C[NH+]3CCOCC3)c2)o1 ZINC001518018984 1058238806 /nfs/dbraw/zinc/23/88/06/1058238806.db2.gz VYIPNGMLHOQBJR-UHFFFAOYSA-N 1 2 373.430 2.584 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCO1 ZINC001518116557 1058271885 /nfs/dbraw/zinc/27/18/85/1058271885.db2.gz JOWJDAIHWRFYFO-HLIPFELVSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCO1 ZINC001518116557 1058271902 /nfs/dbraw/zinc/27/19/02/1058271902.db2.gz JOWJDAIHWRFYFO-HLIPFELVSA-N 1 2 372.517 2.744 20 30 FFEDLO C#CCN(C)c1nnc(CC)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001300468773 1058447954 /nfs/dbraw/zinc/44/79/54/1058447954.db2.gz LFMHUGNGXNUKOY-UHFFFAOYSA-N 1 2 352.486 2.590 20 30 FFEDLO C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(N(C)C)cc[nH+]3)n[nH]2)c1C ZINC001446763704 1058551183 /nfs/dbraw/zinc/55/11/83/1058551183.db2.gz PBFDIKDYOXZJSM-UHFFFAOYSA-N 1 2 365.441 2.789 20 30 FFEDLO C#CCN(CC#C)c1nnc(C(C)(C)C)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001300509548 1058572500 /nfs/dbraw/zinc/57/25/00/1058572500.db2.gz OTRKSNAIGKWVQM-QGZVFWFLSA-N 1 2 364.497 2.731 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2Cc2c(C)coc2C)CC1 ZINC001300682176 1059316611 /nfs/dbraw/zinc/31/66/11/1059316611.db2.gz HYXMECOWYSONQA-OAHLLOKOSA-N 1 2 355.486 2.805 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CCCc2nccs2)CC1 ZINC001300683233 1059318942 /nfs/dbraw/zinc/31/89/42/1059318942.db2.gz NFHXFURNSYAADQ-INIZCTEOSA-N 1 2 372.542 2.636 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CC2(C)CC2)CC1 ZINC001300701230 1059408672 /nfs/dbraw/zinc/40/86/72/1059408672.db2.gz LPKDGKNFYKSLMS-UHFFFAOYSA-N 1 2 367.472 2.563 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C2CC2)CC1 ZINC001300708910 1059450781 /nfs/dbraw/zinc/45/07/81/1059450781.db2.gz YIPNMCIHLUVLQA-UHFFFAOYSA-N 1 2 365.481 2.564 20 30 FFEDLO COc1cccc([C@H]2CN(C(=O)C(=O)/C=C/c3ccc(F)cc3)CC[NH2+]2)c1 ZINC001454479521 1059545160 /nfs/dbraw/zinc/54/51/60/1059545160.db2.gz VGLPWBWJCBFMQT-QPGLYAHGSA-N 1 2 368.408 2.590 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCCC[C@@H]1CC1CCC1 ZINC001520289142 1059575134 /nfs/dbraw/zinc/57/51/34/1059575134.db2.gz LCJSFIOFLYOIIU-KURKYZTESA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCCC[C@@H]1CC1CCC1 ZINC001520289142 1059575149 /nfs/dbraw/zinc/57/51/49/1059575149.db2.gz LCJSFIOFLYOIIU-KURKYZTESA-N 1 2 359.518 2.751 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CCc3ccccc3)n2CC(=C)Cl)CC1 ZINC001507727581 1059702081 /nfs/dbraw/zinc/70/20/81/1059702081.db2.gz JLQPOAXLQHVDOT-UHFFFAOYSA-N 1 2 369.900 2.571 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CCc3ccccc3)n2CC2(C)CC2)CC1 ZINC001507728415 1059703404 /nfs/dbraw/zinc/70/34/04/1059703404.db2.gz TXBJPSLZSMBNSV-UHFFFAOYSA-N 1 2 363.509 2.619 20 30 FFEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC(C)(OC)C1 ZINC001520496179 1059733635 /nfs/dbraw/zinc/73/36/35/1059733635.db2.gz DIOZAAZGHQEGFH-MRXNPFEDSA-N 1 2 355.486 2.882 20 30 FFEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC(C)(OC)C1 ZINC001520496179 1059733647 /nfs/dbraw/zinc/73/36/47/1059733647.db2.gz DIOZAAZGHQEGFH-MRXNPFEDSA-N 1 2 355.486 2.882 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCOC1 ZINC001515899353 1059872600 /nfs/dbraw/zinc/87/26/00/1059872600.db2.gz WYHZIBHQBZUTKI-IAGOWNOFSA-N 1 2 372.517 2.601 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCOC1 ZINC001515899353 1059872623 /nfs/dbraw/zinc/87/26/23/1059872623.db2.gz WYHZIBHQBZUTKI-IAGOWNOFSA-N 1 2 372.517 2.601 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC001546092362 1060411634 /nfs/dbraw/zinc/41/16/34/1060411634.db2.gz WPAXJYLKNQEHPD-CHWSQXEVSA-N 1 2 366.812 2.873 20 30 FFEDLO N#Cc1cc(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)nc(C2CC2)n1 ZINC001458163543 1060528426 /nfs/dbraw/zinc/52/84/26/1060528426.db2.gz QSZIUMGSNWZLKD-UHFFFAOYSA-N 1 2 362.437 2.671 20 30 FFEDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)NCc2ccc(C#N)cn2)C1 ZINC001521518572 1060631494 /nfs/dbraw/zinc/63/14/94/1060631494.db2.gz FLUYXPBHXBHADG-INIZCTEOSA-N 1 2 366.469 2.994 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@@H]1c1cccc(F)c1 ZINC001355919765 1060728072 /nfs/dbraw/zinc/72/80/72/1060728072.db2.gz LGOSWTDAYMLARU-KURKYZTESA-N 1 2 371.460 2.682 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H]1c1cccc(F)c1 ZINC001355919765 1060728084 /nfs/dbraw/zinc/72/80/84/1060728084.db2.gz LGOSWTDAYMLARU-KURKYZTESA-N 1 2 371.460 2.682 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC001355941225 1060745667 /nfs/dbraw/zinc/74/56/67/1060745667.db2.gz CMSGZWNXMAPIGT-GOSISDBHSA-N 1 2 359.518 2.845 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(=O)oc4cc(O)ccc34)CC2)cc1 ZINC001460638772 1061044560 /nfs/dbraw/zinc/04/45/60/1061044560.db2.gz QHHJMQWQUKHQPW-UHFFFAOYSA-N 1 2 361.401 2.692 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)c1 ZINC001475329332 1061050732 /nfs/dbraw/zinc/05/07/32/1061050732.db2.gz ILFQAQIENDWOCR-UHFFFAOYSA-N 1 2 372.837 2.876 20 30 FFEDLO CN(C)c1[nH+]ccc2cc(NC(=O)NCc3nc(C#N)cs3)ccc21 ZINC001476658265 1061451248 /nfs/dbraw/zinc/45/12/48/1061451248.db2.gz UYFQLZAGZOIIOZ-UHFFFAOYSA-N 1 2 352.423 2.951 20 30 FFEDLO N#Cc1ccc(Cn2cc(NC(=O)NCc3ccn4cc[nH+]c4c3)cn2)cc1 ZINC001477002679 1061541998 /nfs/dbraw/zinc/54/19/98/1061541998.db2.gz LXSUOPNPENIVPP-UHFFFAOYSA-N 1 2 371.404 2.772 20 30 FFEDLO N#Cc1ccc(CC(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)cn1 ZINC001462642988 1061703186 /nfs/dbraw/zinc/70/31/86/1061703186.db2.gz LBTSLQZHBMGESI-UHFFFAOYSA-N 1 2 371.444 2.714 20 30 FFEDLO C=CCCc1ccc(S(=O)(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001462775894 1061773015 /nfs/dbraw/zinc/77/30/15/1061773015.db2.gz IJUQMHRUWNXAMX-CALCHBBNSA-N 1 2 366.527 2.583 20 30 FFEDLO C=CCCc1ccc(S(=O)(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001462775894 1061773029 /nfs/dbraw/zinc/77/30/29/1061773029.db2.gz IJUQMHRUWNXAMX-CALCHBBNSA-N 1 2 366.527 2.583 20 30 FFEDLO COCCn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)[C@@H](C)c1cccc(C#N)c1 ZINC001523617937 1062547400 /nfs/dbraw/zinc/54/74/00/1062547400.db2.gz ZBCSOKCMEVQAPL-MAUKXSAKSA-N 1 2 368.485 2.760 20 30 FFEDLO COCCn1c([C@H]2CCC[N@H+]2C)nnc1N(C)[C@@H](C)c1cccc(C#N)c1 ZINC001523617937 1062547421 /nfs/dbraw/zinc/54/74/21/1062547421.db2.gz ZBCSOKCMEVQAPL-MAUKXSAKSA-N 1 2 368.485 2.760 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2nnc(C)s2)[C@@H]1CC)OCC ZINC001479635265 1062671142 /nfs/dbraw/zinc/67/11/42/1062671142.db2.gz BTOZFRVXILLLCQ-ARFHVFGLSA-N 1 2 366.531 2.687 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@H]1CC[N@@H+](Cc2nnc(C)s2)[C@@H]1CC)OCC ZINC001479635265 1062671153 /nfs/dbraw/zinc/67/11/53/1062671153.db2.gz BTOZFRVXILLLCQ-ARFHVFGLSA-N 1 2 366.531 2.687 20 30 FFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC001464560486 1062685218 /nfs/dbraw/zinc/68/52/18/1062685218.db2.gz LYNIIZYRQSULEL-VQTJNVASSA-N 1 2 355.482 2.962 20 30 FFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC001464560486 1062685226 /nfs/dbraw/zinc/68/52/26/1062685226.db2.gz LYNIIZYRQSULEL-VQTJNVASSA-N 1 2 355.482 2.962 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ncc(C)s2)[C@@H]1C)OCC ZINC001479708095 1062859389 /nfs/dbraw/zinc/85/93/89/1062859389.db2.gz YBPQGOYDBNSAHU-PMPSAXMXSA-N 1 2 351.516 2.902 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)s2)[C@@H]1C)OCC ZINC001479708095 1062859413 /nfs/dbraw/zinc/85/94/13/1062859413.db2.gz YBPQGOYDBNSAHU-PMPSAXMXSA-N 1 2 351.516 2.902 20 30 FFEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)[C@@H]2C[C@H]2c2ccsc2)CC1 ZINC001494098741 1063289078 /nfs/dbraw/zinc/28/90/78/1063289078.db2.gz ODMREJLNCGHGHW-DLBZAZTESA-N 1 2 367.946 2.680 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCc2cnn[nH]2)CC1 ZINC001575073550 1078103305 /nfs/dbraw/zinc/10/33/05/1078103305.db2.gz LVDXGRPSZINPMQ-APWZRJJASA-N 1 2 359.518 2.653 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CCc2cnn[nH]2)CC1 ZINC001575073550 1078103306 /nfs/dbraw/zinc/10/33/06/1078103306.db2.gz LVDXGRPSZINPMQ-APWZRJJASA-N 1 2 359.518 2.653 20 30 FFEDLO C#CCCCCCC[NH+]1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC001474411842 1065514792 /nfs/dbraw/zinc/51/47/92/1065514792.db2.gz GYOFRIDRIPQZBS-UHFFFAOYSA-N 1 2 370.465 2.855 20 30 FFEDLO CC(C)(C)OC(=O)N1CC(c2cc(C[NH2+]Cc3ccc(C#N)cn3)on2)C1 ZINC001474559243 1065550251 /nfs/dbraw/zinc/55/02/51/1065550251.db2.gz GCENUWLTNUUXCY-UHFFFAOYSA-N 1 2 369.425 2.565 20 30 FFEDLO N#CCCCC[C@@H]([NH3+])C(=O)Nc1nc2cccc(Br)c2[nH]1 ZINC001580050636 1078739586 /nfs/dbraw/zinc/73/95/86/1078739586.db2.gz HOFRLHFPQFPJBW-SNVBAGLBSA-N 1 2 350.220 2.675 20 30 FFEDLO Cc1cc(NC(=O)COc2ccc(C#N)c(Br)c2)c(C)c[nH+]1 ZINC001584009717 1079296241 /nfs/dbraw/zinc/29/62/41/1079296241.db2.gz QGNNIDDRNBTNSP-UHFFFAOYSA-N 1 2 360.211 2.772 20 30 FFEDLO N#C[C@]1(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CCc2ccccc2C1 ZINC001556242991 1075720117 /nfs/dbraw/zinc/72/01/17/1075720117.db2.gz DWIMVOKXMAACQN-QFIPXVFZSA-N 1 2 356.429 2.982 20 30 FFEDLO C=CC1(CC(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCCC1 ZINC001585458970 1079465322 /nfs/dbraw/zinc/46/53/22/1079465322.db2.gz IGCOPJRYYZFPFR-IAGOWNOFSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CC1(CC(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCCC1 ZINC001585458970 1079465327 /nfs/dbraw/zinc/46/53/27/1079465327.db2.gz IGCOPJRYYZFPFR-IAGOWNOFSA-N 1 2 370.497 2.709 20 30 FFEDLO CC(C)[C@H](C(=O)Nc1nc2cc(C#N)ccc2[nH]1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001557763124 1075886095 /nfs/dbraw/zinc/88/60/95/1075886095.db2.gz ZSWMEQVIRSLBLV-PBFPGSCMSA-N 1 2 355.442 2.507 20 30 FFEDLO N#Cc1ccc(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)cn1 ZINC001558836337 1076086563 /nfs/dbraw/zinc/08/65/63/1076086563.db2.gz YDFIBQHXPPHUBJ-UHFFFAOYSA-N 1 2 365.824 2.824 20 30 FFEDLO CCc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC001559538564 1076170509 /nfs/dbraw/zinc/17/05/09/1076170509.db2.gz BIDNDNGHEPWFQN-KRWDZBQOSA-N 1 2 355.482 2.854 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](C)Cc2cc(F)cc(F)c2)c1 ZINC001559811912 1076193600 /nfs/dbraw/zinc/19/36/00/1076193600.db2.gz RDEWYXQVSHBFRS-UHFFFAOYSA-N 1 2 357.360 2.726 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@H+](C)Cc2cc(F)cc(F)c2)c1 ZINC001559811912 1076193604 /nfs/dbraw/zinc/19/36/04/1076193604.db2.gz RDEWYXQVSHBFRS-UHFFFAOYSA-N 1 2 357.360 2.726 20 30 FFEDLO N#CCc1ccc(CS(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001561063307 1076327551 /nfs/dbraw/zinc/32/75/51/1076327551.db2.gz OGANRRGPLIXIDJ-UHFFFAOYSA-N 1 2 353.403 2.847 20 30 FFEDLO C=CC[C@H]1CCCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC001564112674 1076606830 /nfs/dbraw/zinc/60/68/30/1076606830.db2.gz QYFIEPQQRNWQPG-SFTDATJTSA-N 1 2 371.525 2.928 20 30 FFEDLO C#CCN(CC#CC)C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001565305753 1076711347 /nfs/dbraw/zinc/71/13/47/1076711347.db2.gz XTUBTUDIHCAPJN-UHFFFAOYSA-N 1 2 360.461 2.756 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ncnn2CC)C[C@H]1c1ccccc1 ZINC001565883436 1076778285 /nfs/dbraw/zinc/77/82/85/1076778285.db2.gz LGIXPYZRTOYECO-ZWKOTPCHSA-N 1 2 367.497 2.594 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ncnn2CC)C[C@H]1c1ccccc1 ZINC001565883436 1076778291 /nfs/dbraw/zinc/77/82/91/1076778291.db2.gz LGIXPYZRTOYECO-ZWKOTPCHSA-N 1 2 367.497 2.594 20 30 FFEDLO C=CCCCC(=O)N1CCCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001572686289 1077347296 /nfs/dbraw/zinc/34/72/96/1077347296.db2.gz SPPXBMLKAWQZJE-BRWVUGGUSA-N 1 2 358.486 2.709 20 30 FFEDLO C=CCCCC(=O)N1CCCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001572686289 1077347300 /nfs/dbraw/zinc/34/73/00/1077347300.db2.gz SPPXBMLKAWQZJE-BRWVUGGUSA-N 1 2 358.486 2.709 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCC)CC1 ZINC001588780982 1080192959 /nfs/dbraw/zinc/19/29/59/1080192959.db2.gz ZMTSAXPERAXBOQ-UHFFFAOYSA-N 1 2 372.904 2.939 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccn3)n2CC2CCCCC2)CC1 ZINC001588800568 1080201783 /nfs/dbraw/zinc/20/17/83/1080201783.db2.gz KQCMZSYFSXZXDB-UHFFFAOYSA-N 1 2 364.497 2.676 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CCCc3ccccc3)n2CCC)CC1 ZINC001588857348 1080218977 /nfs/dbraw/zinc/21/89/77/1080218977.db2.gz MMWNCPSAMXNGHI-UHFFFAOYSA-N 1 2 351.498 2.619 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCN(c4ccccc4F)CC3)C2=O)cc1 ZINC000028708700 249347003 /nfs/dbraw/zinc/34/70/03/249347003.db2.gz ROHDBFWSKNYCFV-FQEVSTJZSA-N 1 2 364.424 2.625 20 30 FFEDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000275629195 256031813 /nfs/dbraw/zinc/03/18/13/256031813.db2.gz MTCHWITVHDFYSK-QZEKMECESA-N 1 2 362.433 2.712 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000277907832 256254403 /nfs/dbraw/zinc/25/44/03/256254403.db2.gz XDARCJMXUYYYSM-UHFFFAOYSA-N 1 2 369.490 2.875 20 30 FFEDLO CCOC1CC(CNc2nc3c(cc2C#N)CCCC3)([NH+]2CCOCC2)C1 ZINC000278098008 256276608 /nfs/dbraw/zinc/27/66/08/256276608.db2.gz WGVCBDZLNHPFKJ-UHFFFAOYSA-N 1 2 370.497 2.514 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc4cnccn34)CC2)c(Cl)c1 ZINC000278789694 256348254 /nfs/dbraw/zinc/34/82/54/256348254.db2.gz WNMKKSDQXNNUBQ-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(C(N)=O)cs3)CC2)c(Cl)c1 ZINC000278728094 256341897 /nfs/dbraw/zinc/34/18/97/256341897.db2.gz QCKSIWNTPYDFEZ-UHFFFAOYSA-N 1 2 360.870 2.694 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](C)[S@]1=O ZINC000285847682 257007843 /nfs/dbraw/zinc/00/78/43/257007843.db2.gz HYFRYSGONQFCCX-HEXWXOJWSA-N 1 2 356.495 2.690 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](C)[S@]1=O ZINC000285847682 257007844 /nfs/dbraw/zinc/00/78/44/257007844.db2.gz HYFRYSGONQFCCX-HEXWXOJWSA-N 1 2 356.495 2.690 20 30 FFEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(CCC(N)=O)CC1 ZINC000287838729 257119898 /nfs/dbraw/zinc/11/98/98/257119898.db2.gz QNIALJUETRHLIV-UHFFFAOYSA-N 1 2 350.260 2.798 20 30 FFEDLO Cn1c2ccc(NS(=O)(=O)c3cncc(C#N)c3)cc2[nH+]c1C(C)(C)C ZINC000291004972 257372921 /nfs/dbraw/zinc/37/29/21/257372921.db2.gz VNJJJEMGWKYXKT-UHFFFAOYSA-N 1 2 369.450 2.938 20 30 FFEDLO CC(=O)c1ccc(C#N)c(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1 ZINC000302036972 258083351 /nfs/dbraw/zinc/08/33/51/258083351.db2.gz PSPGMMMZDIZSNV-UHFFFAOYSA-N 1 2 359.433 2.731 20 30 FFEDLO COc1ccc([C@H](CNc2ccc(C)c(C#N)n2)[NH+]2CCOCC2)cc1 ZINC000302715674 258108777 /nfs/dbraw/zinc/10/87/77/258108777.db2.gz NCOUDBCZIHTLLY-IBGZPJMESA-N 1 2 352.438 2.756 20 30 FFEDLO CC(=O)c1ccc(C#N)c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1 ZINC000302006949 258081533 /nfs/dbraw/zinc/08/15/33/258081533.db2.gz AKOZDEZFOUGULI-YADHBBJMSA-N 1 2 361.445 2.850 20 30 FFEDLO CC(=O)c1ccc(C#N)c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1 ZINC000302006949 258081535 /nfs/dbraw/zinc/08/15/35/258081535.db2.gz AKOZDEZFOUGULI-YADHBBJMSA-N 1 2 361.445 2.850 20 30 FFEDLO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)c2cc(C#N)ccc2C)CC1 ZINC000332155949 258216815 /nfs/dbraw/zinc/21/68/15/258216815.db2.gz XHPPZGLONIWUNX-UHFFFAOYSA-N 1 2 369.490 2.682 20 30 FFEDLO Cc1onc(CC(=O)N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)c1C#N ZINC000332320871 258225043 /nfs/dbraw/zinc/22/50/43/258225043.db2.gz OUZIXDCMFKZYKF-CYBMUJFWSA-N 1 2 372.856 2.956 20 30 FFEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(C)c1 ZINC000115675050 132247547 /nfs/dbraw/zinc/24/75/47/132247547.db2.gz MVTCTHXSYWHLLA-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C)n1cnc(C#N)n1 ZINC000409881932 512159276 /nfs/dbraw/zinc/15/92/76/512159276.db2.gz ZZLUGUQUHBCJJL-NSHDSACASA-N 1 2 351.414 2.534 20 30 FFEDLO CCCCCNC(=O)C1CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000052722577 506238030 /nfs/dbraw/zinc/23/80/30/506238030.db2.gz IMUDTUNTNKZYOB-UHFFFAOYSA-N 1 2 374.485 2.725 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000366804127 512193668 /nfs/dbraw/zinc/19/36/68/512193668.db2.gz IOORLSIPVRJJRZ-KRWDZBQOSA-N 1 2 358.438 2.961 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000366804127 512193670 /nfs/dbraw/zinc/19/36/70/512193670.db2.gz IOORLSIPVRJJRZ-KRWDZBQOSA-N 1 2 358.438 2.961 20 30 FFEDLO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000373159877 512199779 /nfs/dbraw/zinc/19/97/79/512199779.db2.gz PLYHUKZVNMGJBG-AWEZNQCLSA-N 1 2 357.483 2.878 20 30 FFEDLO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000373159877 512199786 /nfs/dbraw/zinc/19/97/86/512199786.db2.gz PLYHUKZVNMGJBG-AWEZNQCLSA-N 1 2 357.483 2.878 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000369181541 512271563 /nfs/dbraw/zinc/27/15/63/512271563.db2.gz ZZWRWTAWVWNFBI-MRXNPFEDSA-N 1 2 374.872 2.627 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000369181541 512271566 /nfs/dbraw/zinc/27/15/66/512271566.db2.gz ZZWRWTAWVWNFBI-MRXNPFEDSA-N 1 2 374.872 2.627 20 30 FFEDLO C=CCN(CC=C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000054009767 506477724 /nfs/dbraw/zinc/47/77/24/506477724.db2.gz RWWIGUMQPGIXCM-GOSISDBHSA-N 1 2 370.453 2.910 20 30 FFEDLO C[C@H](C(=O)NCC1CCCCC1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000041106039 506492711 /nfs/dbraw/zinc/49/27/11/506492711.db2.gz GOTICHZBWHBYAA-GOSISDBHSA-N 1 2 368.525 2.761 20 30 FFEDLO C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000041106039 506492714 /nfs/dbraw/zinc/49/27/14/506492714.db2.gz GOTICHZBWHBYAA-GOSISDBHSA-N 1 2 368.525 2.761 20 30 FFEDLO Cc1noc([C@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000054677260 506600291 /nfs/dbraw/zinc/60/02/91/506600291.db2.gz SUPLDAHUOHLCKU-ZDUSSCGKSA-N 1 2 359.817 2.721 20 30 FFEDLO Cc1noc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000054677260 506600301 /nfs/dbraw/zinc/60/03/01/506600301.db2.gz SUPLDAHUOHLCKU-ZDUSSCGKSA-N 1 2 359.817 2.721 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000373377185 512299959 /nfs/dbraw/zinc/29/99/59/512299959.db2.gz MAAKAXQHLKXBBI-QUCCMNQESA-N 1 2 352.438 2.799 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c1 ZINC000056075450 506926708 /nfs/dbraw/zinc/92/67/08/506926708.db2.gz LJHZMMJXQLANHA-UHFFFAOYSA-N 1 2 370.478 2.812 20 30 FFEDLO N#Cc1cc(NC(=O)NCCn2cc[nH+]c2)ccc1OCC(F)(F)F ZINC000046033475 507065279 /nfs/dbraw/zinc/06/52/79/507065279.db2.gz OOXZOVSQNBVXSL-UHFFFAOYSA-N 1 2 353.304 2.518 20 30 FFEDLO C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000046037130 507066413 /nfs/dbraw/zinc/06/64/13/507066413.db2.gz ICKZTTLFIWLXBT-INIZCTEOSA-N 1 2 372.488 2.999 20 30 FFEDLO N#CCCN(C(=O)C[NH+]1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000016474304 507093207 /nfs/dbraw/zinc/09/32/07/507093207.db2.gz CABNLMPRVQJHDL-UHFFFAOYSA-N 1 2 366.440 2.895 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3noc4ccccc43)CC2)cc1 ZINC000017843709 507129996 /nfs/dbraw/zinc/12/99/96/507129996.db2.gz SNYHVBGHRKXGHO-UHFFFAOYSA-N 1 2 360.417 2.586 20 30 FFEDLO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000046519139 507149727 /nfs/dbraw/zinc/14/97/27/507149727.db2.gz LWLHSYHIJBFOQT-UHFFFAOYSA-N 1 2 353.422 2.995 20 30 FFEDLO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000046519139 507149730 /nfs/dbraw/zinc/14/97/30/507149730.db2.gz LWLHSYHIJBFOQT-UHFFFAOYSA-N 1 2 353.422 2.995 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057406198 507257389 /nfs/dbraw/zinc/25/73/89/507257389.db2.gz HVQRAIQZHOMHIL-HNNXBMFYSA-N 1 2 352.413 2.847 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc4[nH+]ccn4c3)C2)c(F)c1 ZINC000068532286 507258392 /nfs/dbraw/zinc/25/83/92/507258392.db2.gz LSOUIJZDHKWFEL-MRXNPFEDSA-N 1 2 363.396 2.744 20 30 FFEDLO CCN(C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000022778750 507309553 /nfs/dbraw/zinc/30/95/53/507309553.db2.gz XURGEBWACDAPHU-UHFFFAOYSA-N 1 2 362.477 2.729 20 30 FFEDLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781459 507309961 /nfs/dbraw/zinc/30/99/61/507309961.db2.gz MWXYWWBBHCXRCC-GUDVDZBRSA-N 1 2 368.525 2.569 20 30 FFEDLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000022781459 507309967 /nfs/dbraw/zinc/30/99/67/507309967.db2.gz MWXYWWBBHCXRCC-GUDVDZBRSA-N 1 2 368.525 2.569 20 30 FFEDLO C=CC[N@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)Cc1cccs1 ZINC000058053438 507367953 /nfs/dbraw/zinc/36/79/53/507367953.db2.gz XQBLHUMXJNACQR-OAHLLOKOSA-N 1 2 358.463 2.692 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)Cc1cccs1 ZINC000058053438 507367957 /nfs/dbraw/zinc/36/79/57/507367957.db2.gz XQBLHUMXJNACQR-OAHLLOKOSA-N 1 2 358.463 2.692 20 30 FFEDLO C[C@@H](Oc1cccc(F)c1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000024478626 507414643 /nfs/dbraw/zinc/41/46/43/507414643.db2.gz NJRTZMLQFZSLCR-MRXNPFEDSA-N 1 2 367.424 2.809 20 30 FFEDLO Cc1cccc2[nH+]c(CNC(=O)N3CCN(c4ccccc4C#N)CC3)cn21 ZINC000069480444 507499899 /nfs/dbraw/zinc/49/98/99/507499899.db2.gz LQNQDEUUIQJCOJ-UHFFFAOYSA-N 1 2 374.448 2.546 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)Nc2ccc(C)cc2C)cc1OC ZINC000060552714 507561887 /nfs/dbraw/zinc/56/18/87/507561887.db2.gz SKTXTWKWIHYAKT-UHFFFAOYSA-N 1 2 357.410 2.596 20 30 FFEDLO Cc1ccc2c(CC(=O)N(CCC#N)CC[NH+]3CCOCC3)coc2c1C ZINC000060634324 507570914 /nfs/dbraw/zinc/57/09/14/507570914.db2.gz CNLADSOPRNYSOQ-UHFFFAOYSA-N 1 2 369.465 2.667 20 30 FFEDLO CC(C)(C)c1ccc(CCC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000070920456 507660967 /nfs/dbraw/zinc/66/09/67/507660967.db2.gz XIFDSMBBPCBPTA-UHFFFAOYSA-N 1 2 371.525 2.991 20 30 FFEDLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000050274115 507676563 /nfs/dbraw/zinc/67/65/63/507676563.db2.gz RXTNOCXSIVFURO-YLJYHZDGSA-N 1 2 359.470 2.895 20 30 FFEDLO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000050274115 507676567 /nfs/dbraw/zinc/67/65/67/507676567.db2.gz RXTNOCXSIVFURO-YLJYHZDGSA-N 1 2 359.470 2.895 20 30 FFEDLO C=CCNC(=O)C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000071010975 507677680 /nfs/dbraw/zinc/67/76/80/507677680.db2.gz IRFODWVHKGEJCJ-UHFFFAOYSA-N 1 2 357.376 2.657 20 30 FFEDLO C=CCNC(=O)C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000071010975 507677684 /nfs/dbraw/zinc/67/76/84/507677684.db2.gz IRFODWVHKGEJCJ-UHFFFAOYSA-N 1 2 357.376 2.657 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000367136865 512355049 /nfs/dbraw/zinc/35/50/49/512355049.db2.gz BEPWPHZGDOBSBF-OALUTQOASA-N 1 2 353.378 2.573 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000367136865 512355054 /nfs/dbraw/zinc/35/50/54/512355054.db2.gz BEPWPHZGDOBSBF-OALUTQOASA-N 1 2 353.378 2.573 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)OC)c1)Cc1cccc(C#N)c1 ZINC000063300765 507714309 /nfs/dbraw/zinc/71/43/09/507714309.db2.gz RKCJORPHAUUXMO-UHFFFAOYSA-N 1 2 363.417 2.972 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)OC)c1)Cc1cccc(C#N)c1 ZINC000063300765 507714313 /nfs/dbraw/zinc/71/43/13/507714313.db2.gz RKCJORPHAUUXMO-UHFFFAOYSA-N 1 2 363.417 2.972 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H](O)COc3ccc(F)cc3)CCO2)c1 ZINC000367142036 512357042 /nfs/dbraw/zinc/35/70/42/512357042.db2.gz TUHGTYBESXVREL-AZUAARDMSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H](O)COc3ccc(F)cc3)CCO2)c1 ZINC000367142036 512357045 /nfs/dbraw/zinc/35/70/45/512357045.db2.gz TUHGTYBESXVREL-AZUAARDMSA-N 1 2 356.397 2.511 20 30 FFEDLO CCc1c(C(O)=CONC(=[NH2+])c2ccccc2OC)[nH]c(C)c1C(C)=O ZINC000063455335 507731795 /nfs/dbraw/zinc/73/17/95/507731795.db2.gz BPIGOHJZHLVQHK-UHFFFAOYSA-N 1 2 357.410 2.617 20 30 FFEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000063521754 507743130 /nfs/dbraw/zinc/74/31/30/507743130.db2.gz UXRRMLKWYICBJD-FQEVSTJZSA-N 1 2 364.449 2.718 20 30 FFEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029447237 507778480 /nfs/dbraw/zinc/77/84/80/507778480.db2.gz GJVAIUZUTQWUMR-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000029784867 507790239 /nfs/dbraw/zinc/79/02/39/507790239.db2.gz OGKNCTJKPLSQSS-MRXNPFEDSA-N 1 2 360.417 2.887 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000029792337 507790968 /nfs/dbraw/zinc/79/09/68/507790968.db2.gz MCAHANISQDVLOQ-QGZVFWFLSA-N 1 2 374.444 2.929 20 30 FFEDLO COc1ccc([C@H](NC(=O)c2sccc2C#N)c2[nH+]ccn2C)cc1 ZINC000052029472 507794645 /nfs/dbraw/zinc/79/46/45/507794645.db2.gz ZNVKMUZFIISTKD-HNNXBMFYSA-N 1 2 352.419 2.881 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000052636133 507816645 /nfs/dbraw/zinc/81/66/45/507816645.db2.gz UIYXPADDLUFKTP-AWEZNQCLSA-N 1 2 368.403 2.588 20 30 FFEDLO Cn1c2ccc(NS(=O)(=O)c3ccc(C#N)nc3)cc2[nH+]c1C1CC1 ZINC000089642299 507853489 /nfs/dbraw/zinc/85/34/89/507853489.db2.gz SIVRVTVTCFLCKU-UHFFFAOYSA-N 1 2 353.407 2.518 20 30 FFEDLO C=CC[NH+](CC=C)Cc1nc2cc(S(=O)(=O)N(CC)CC)ccc2[nH]1 ZINC000072938898 507874891 /nfs/dbraw/zinc/87/48/91/507874891.db2.gz PXXIYSBVIIBWQH-UHFFFAOYSA-N 1 2 362.499 2.767 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cccc(SCC#N)c2)CC1 ZINC000079780339 508000256 /nfs/dbraw/zinc/00/02/56/508000256.db2.gz YPTJBUBIFFMQMT-UHFFFAOYSA-N 1 2 370.478 2.865 20 30 FFEDLO N#CCOc1ccc(CC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000110248586 508016117 /nfs/dbraw/zinc/01/61/17/508016117.db2.gz UCSUIVASXORDOJ-UHFFFAOYSA-N 1 2 364.380 2.773 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000091892420 508022560 /nfs/dbraw/zinc/02/25/60/508022560.db2.gz JYNREPNTOBPOKW-CQSZACIVSA-N 1 2 372.469 2.904 20 30 FFEDLO Cc1cc(C)n2c(C[NH+]3CCN(c4ccc(C#N)cc4F)CC3)cnc2n1 ZINC000092597052 508086002 /nfs/dbraw/zinc/08/60/02/508086002.db2.gz WQKONHJKTXVLBE-UHFFFAOYSA-N 1 2 364.428 2.679 20 30 FFEDLO C=CC1CCN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000111480486 508103175 /nfs/dbraw/zinc/10/31/75/508103175.db2.gz SLMZDIBQPRMXNF-UHFFFAOYSA-N 1 2 373.497 2.505 20 30 FFEDLO CNC(=O)c1ccc(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000075613271 508122152 /nfs/dbraw/zinc/12/21/52/508122152.db2.gz FNQYAZLKMARILI-UHFFFAOYSA-N 1 2 361.405 2.600 20 30 FFEDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000075613271 508122154 /nfs/dbraw/zinc/12/21/54/508122154.db2.gz FNQYAZLKMARILI-UHFFFAOYSA-N 1 2 361.405 2.600 20 30 FFEDLO COc1cccc(OCC[NH+]2CCN(Cc3cc(C#N)cs3)CC2)c1 ZINC000093762019 508154131 /nfs/dbraw/zinc/15/41/31/508154131.db2.gz SSJYRMRMZSQDET-UHFFFAOYSA-N 1 2 357.479 2.825 20 30 FFEDLO COc1cccc(OCCN2CC[NH+](Cc3cc(C#N)cs3)CC2)c1 ZINC000093762019 508154134 /nfs/dbraw/zinc/15/41/34/508154134.db2.gz SSJYRMRMZSQDET-UHFFFAOYSA-N 1 2 357.479 2.825 20 30 FFEDLO COc1ccc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1C ZINC000081513174 508183613 /nfs/dbraw/zinc/18/36/13/508183613.db2.gz RAXKIFADJRJRES-UHFFFAOYSA-N 1 2 358.463 2.781 20 30 FFEDLO COc1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1C ZINC000081513174 508183616 /nfs/dbraw/zinc/18/36/16/508183616.db2.gz RAXKIFADJRJRES-UHFFFAOYSA-N 1 2 358.463 2.781 20 30 FFEDLO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](CCC#N)CC2CC2)cc1OC ZINC000081514699 508184446 /nfs/dbraw/zinc/18/44/46/508184446.db2.gz ULKSMQALXQZJJR-GOSISDBHSA-N 1 2 371.481 2.993 20 30 FFEDLO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](CCC#N)CC2CC2)cc1OC ZINC000081514699 508184448 /nfs/dbraw/zinc/18/44/48/508184448.db2.gz ULKSMQALXQZJJR-GOSISDBHSA-N 1 2 371.481 2.993 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000076405396 508202113 /nfs/dbraw/zinc/20/21/13/508202113.db2.gz LFVIBAZPBPHMMU-UHFFFAOYSA-N 1 2 350.422 2.917 20 30 FFEDLO CCC[C@H](C#N)N(C)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000410823857 512384989 /nfs/dbraw/zinc/38/49/89/512384989.db2.gz BECCSWHSGAZBHG-QGZVFWFLSA-N 1 2 353.426 2.676 20 30 FFEDLO Cc1cc(N2CCN(C(=O)c3cc(C#N)cs3)CC2)nc(C(C)C)[nH+]1 ZINC000084180330 508268010 /nfs/dbraw/zinc/26/80/10/508268010.db2.gz CBCMKURFCAQHHH-UHFFFAOYSA-N 1 2 355.467 2.804 20 30 FFEDLO CCOCCOc1cc(C)ccc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000088558297 508376189 /nfs/dbraw/zinc/37/61/89/508376189.db2.gz NKQVOFHMRBTBAS-FQEVSTJZSA-N 1 2 367.449 2.598 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(Oc3ccc(F)cc3F)CC2)cc1 ZINC000115536134 508406185 /nfs/dbraw/zinc/40/61/85/508406185.db2.gz MVAYOVWDCQYGFF-LJQANCHMSA-N 1 2 371.387 2.906 20 30 FFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000121747334 508409554 /nfs/dbraw/zinc/40/95/54/508409554.db2.gz UUBXVMLAXNIVNL-CVEARBPZSA-N 1 2 355.891 2.698 20 30 FFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000121747334 508409557 /nfs/dbraw/zinc/40/95/57/508409557.db2.gz UUBXVMLAXNIVNL-CVEARBPZSA-N 1 2 355.891 2.698 20 30 FFEDLO CCOc1cc2c(cc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)O[C@H](C)C2 ZINC000115595611 508415806 /nfs/dbraw/zinc/41/58/06/508415806.db2.gz DFTJTQCAJVRDKI-ZUOKHONESA-N 1 2 365.433 2.597 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000122143802 508488697 /nfs/dbraw/zinc/48/86/97/508488697.db2.gz KYXVRPQEVMPDBL-NRFANRHFSA-N 1 2 371.444 2.895 20 30 FFEDLO C[C@H](C#N)N(C)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000410881965 512399669 /nfs/dbraw/zinc/39/96/69/512399669.db2.gz FZPYCIAZDOFVRF-IUODEOHRSA-N 1 2 350.260 2.956 20 30 FFEDLO CSc1nc(C2CC2)cc(C(=O)N(C)CCCn2cc[nH+]c2)c1C#N ZINC000122567108 508555168 /nfs/dbraw/zinc/55/51/68/508555168.db2.gz XOYSANCQCVFVJC-UHFFFAOYSA-N 1 2 355.467 2.911 20 30 FFEDLO C[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000157646190 508592089 /nfs/dbraw/zinc/59/20/89/508592089.db2.gz NVSJMAADUURKRZ-LJQANCHMSA-N 1 2 370.474 2.756 20 30 FFEDLO C[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000157646190 508592093 /nfs/dbraw/zinc/59/20/93/508592093.db2.gz NVSJMAADUURKRZ-LJQANCHMSA-N 1 2 370.474 2.756 20 30 FFEDLO Cc1cccn2cc(CNS(=O)(=O)c3ccc(C#N)c(Cl)c3)[nH+]c12 ZINC000128783257 508642997 /nfs/dbraw/zinc/64/29/97/508642997.db2.gz LQIFYZOTVFLAAS-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO N#Cc1cc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)ccc1OC(F)(F)F ZINC000375589978 512409645 /nfs/dbraw/zinc/40/96/45/512409645.db2.gz FGTRUFMUBCTBSO-JTQLQIEISA-N 1 2 350.300 2.854 20 30 FFEDLO Cc1ccccc1[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000136298685 508685149 /nfs/dbraw/zinc/68/51/49/508685149.db2.gz DJBZFXIIHQALHR-QGZVFWFLSA-N 1 2 369.490 2.934 20 30 FFEDLO CN(CC[NH+]1CCOCC1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000158364961 508693444 /nfs/dbraw/zinc/69/34/44/508693444.db2.gz XELKMQNWYBKRPS-UHFFFAOYSA-N 1 2 364.449 2.706 20 30 FFEDLO CN(CCC#N)c1ccc(C[NH+]2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000158489002 508712611 /nfs/dbraw/zinc/71/26/11/508712611.db2.gz YMVPACJUMYBYOH-UHFFFAOYSA-N 1 2 352.438 2.587 20 30 FFEDLO C=C(C)CN(CC)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000129466944 508729876 /nfs/dbraw/zinc/72/98/76/508729876.db2.gz LJCCRYLVWKEJGZ-UHFFFAOYSA-N 1 2 361.486 2.505 20 30 FFEDLO N#Cc1nc(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)[nH]c1C#N ZINC000123918904 508757841 /nfs/dbraw/zinc/75/78/41/508757841.db2.gz WQAKRVWZVDEKKB-UHFFFAOYSA-N 1 2 370.416 2.794 20 30 FFEDLO COc1cccc(CN(CCC#N)CC[NH+]2CCOCC2)c1OC(C)C ZINC000154808477 508859988 /nfs/dbraw/zinc/85/99/88/508859988.db2.gz QWWYFZAAYPFXAW-UHFFFAOYSA-N 1 2 361.486 2.530 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2CO)c(C#N)c1C ZINC000130922144 508865710 /nfs/dbraw/zinc/86/57/10/508865710.db2.gz YJZWZBRGYRHGCH-QGZVFWFLSA-N 1 2 355.463 2.767 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CCc3ccccc3[C@H]2CO)c(C#N)c1C ZINC000130922144 508865713 /nfs/dbraw/zinc/86/57/13/508865713.db2.gz YJZWZBRGYRHGCH-QGZVFWFLSA-N 1 2 355.463 2.767 20 30 FFEDLO C=CCNC(=O)c1ccc(N(C)Cc2[nH+]ccn2Cc2ccccc2)nc1 ZINC000159730978 508881556 /nfs/dbraw/zinc/88/15/56/508881556.db2.gz CDGVNHWQBTVMSH-UHFFFAOYSA-N 1 2 361.449 2.879 20 30 FFEDLO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)nc1 ZINC000160763678 509029815 /nfs/dbraw/zinc/02/98/15/509029815.db2.gz JTHDUHMJIVYFPL-UHFFFAOYSA-N 1 2 368.412 2.591 20 30 FFEDLO C=CC[C@H]1N(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCCC1(C)C ZINC000410999424 512433325 /nfs/dbraw/zinc/43/33/25/512433325.db2.gz AOIZKVDPLNFSCT-QGZVFWFLSA-N 1 2 358.486 2.709 20 30 FFEDLO C=CC[C@H]1N(C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCCC1(C)C ZINC000410999424 512433329 /nfs/dbraw/zinc/43/33/29/512433329.db2.gz AOIZKVDPLNFSCT-QGZVFWFLSA-N 1 2 358.486 2.709 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CCCC1(C)C ZINC000411000670 512433913 /nfs/dbraw/zinc/43/39/13/512433913.db2.gz DCTLUXBNGSQXDD-SQNIBIBYSA-N 1 2 372.513 2.886 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000126677872 509112152 /nfs/dbraw/zinc/11/21/52/509112152.db2.gz BMCZMSQGXQOKEW-QWJLCTJOSA-N 1 2 367.540 2.576 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000126677872 509112154 /nfs/dbraw/zinc/11/21/54/509112154.db2.gz BMCZMSQGXQOKEW-QWJLCTJOSA-N 1 2 367.540 2.576 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)CNc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133220257 509133682 /nfs/dbraw/zinc/13/36/82/509133682.db2.gz IZPKHBVLOPROPY-ICSRJNTNSA-N 1 2 370.403 2.810 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)CNc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133220257 509133686 /nfs/dbraw/zinc/13/36/86/509133686.db2.gz IZPKHBVLOPROPY-ICSRJNTNSA-N 1 2 370.403 2.810 20 30 FFEDLO COc1ccc([C@@H](CCO)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000182384319 509206747 /nfs/dbraw/zinc/20/67/47/509206747.db2.gz AQKGPUZCSVFWQA-GOSISDBHSA-N 1 2 364.405 2.830 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248434931 509318550 /nfs/dbraw/zinc/31/85/50/509318550.db2.gz RICPDAPPDNRMGV-CJNGLKHVSA-N 1 2 371.407 2.593 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248434931 509318554 /nfs/dbraw/zinc/31/85/54/509318554.db2.gz RICPDAPPDNRMGV-CJNGLKHVSA-N 1 2 371.407 2.593 20 30 FFEDLO C=CCN(CCOC)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000192091635 509343016 /nfs/dbraw/zinc/34/30/16/509343016.db2.gz VPKJKTISORGMBA-IRXDYDNUSA-N 1 2 361.486 2.962 20 30 FFEDLO C=CC[C@H](CO)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000185809132 509365407 /nfs/dbraw/zinc/36/54/07/509365407.db2.gz CNPRXNWQTAOSMR-CVEARBPZSA-N 1 2 367.287 2.639 20 30 FFEDLO C=CCSCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000179324429 509376962 /nfs/dbraw/zinc/37/69/62/509376962.db2.gz SMSOIHVTVHSDPV-CVEARBPZSA-N 1 2 355.454 2.928 20 30 FFEDLO C=CCSCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000179324429 509376965 /nfs/dbraw/zinc/37/69/65/509376965.db2.gz SMSOIHVTVHSDPV-CVEARBPZSA-N 1 2 355.454 2.928 20 30 FFEDLO C[C@H](c1cccc(NC(=O)COc2ccccc2C#N)c1)[NH+]1CCOCC1 ZINC000264246500 509409732 /nfs/dbraw/zinc/40/97/32/509409732.db2.gz OFMMNNAUPGFODJ-MRXNPFEDSA-N 1 2 365.433 2.969 20 30 FFEDLO C[C@H](c1cccc(NC(=O)COc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000264255350 509414677 /nfs/dbraw/zinc/41/46/77/509414677.db2.gz PINHPLAALYJFCD-MRXNPFEDSA-N 1 2 365.433 2.969 20 30 FFEDLO Cc1ccc(C)c(N2CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000164755225 509532660 /nfs/dbraw/zinc/53/26/60/509532660.db2.gz WSVAQDXLSZQVEZ-RXVVDRJESA-N 1 2 356.514 2.868 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000165830540 509585690 /nfs/dbraw/zinc/58/56/90/509585690.db2.gz AVENOUONCOYBSM-IBGZPJMESA-N 1 2 362.905 2.512 20 30 FFEDLO Cc1cc[nH+]c(N2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)c1 ZINC000166027644 509592182 /nfs/dbraw/zinc/59/21/82/509592182.db2.gz SNOODZUCBANWCG-UHFFFAOYSA-N 1 2 360.421 2.634 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000267781559 509611786 /nfs/dbraw/zinc/61/17/86/509611786.db2.gz HWZKZOMRDKSTOY-YJBOKZPZSA-N 1 2 353.470 2.718 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000267781559 509611794 /nfs/dbraw/zinc/61/17/94/509611794.db2.gz HWZKZOMRDKSTOY-YJBOKZPZSA-N 1 2 353.470 2.718 20 30 FFEDLO CCO[C@@H](C)c1noc(CN2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000186282245 509622013 /nfs/dbraw/zinc/62/20/13/509622013.db2.gz NGMNKXNGBKQPCS-CVEARBPZSA-N 1 2 369.469 2.918 20 30 FFEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)cs1 ZINC000267823354 509629481 /nfs/dbraw/zinc/62/94/81/509629481.db2.gz YGDVHTIDBJQTIZ-AWEZNQCLSA-N 1 2 357.483 2.829 20 30 FFEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)cs1 ZINC000267823354 509629489 /nfs/dbraw/zinc/62/94/89/509629489.db2.gz YGDVHTIDBJQTIZ-AWEZNQCLSA-N 1 2 357.483 2.829 20 30 FFEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000180051526 509726558 /nfs/dbraw/zinc/72/65/58/509726558.db2.gz WBYNHLJVXOXUEH-AWEZNQCLSA-N 1 2 362.393 2.880 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186491106 509736552 /nfs/dbraw/zinc/73/65/52/509736552.db2.gz GVXYXOCQXMULGK-HNNXBMFYSA-N 1 2 364.436 2.837 20 30 FFEDLO Cc1nc2sccn2c1C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000268104381 509757015 /nfs/dbraw/zinc/75/70/15/509757015.db2.gz BTDRVHPXBUEXTM-AWEZNQCLSA-N 1 2 359.499 2.867 20 30 FFEDLO Cc1nc2sccn2c1C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000268104381 509757018 /nfs/dbraw/zinc/75/70/18/509757018.db2.gz BTDRVHPXBUEXTM-AWEZNQCLSA-N 1 2 359.499 2.867 20 30 FFEDLO CCOc1ccccc1NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(OC)cc1 ZINC000264952861 509793946 /nfs/dbraw/zinc/79/39/46/509793946.db2.gz LJNJWFDTUMFBNJ-ZDUSSCGKSA-N 1 2 357.410 2.758 20 30 FFEDLO CCOc1ccccc1NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(OC)cc1 ZINC000264952858 509794919 /nfs/dbraw/zinc/79/49/19/509794919.db2.gz LJNJWFDTUMFBNJ-CYBMUJFWSA-N 1 2 357.410 2.758 20 30 FFEDLO Cc1cc2cc(NC(=O)N(CCC#N)CC[NH+]3CCOCC3)ccc2[nH]1 ZINC000176978405 509796640 /nfs/dbraw/zinc/79/66/40/509796640.db2.gz GYJGSMSVHLCDNL-UHFFFAOYSA-N 1 2 355.442 2.556 20 30 FFEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000193313315 509861814 /nfs/dbraw/zinc/86/18/14/509861814.db2.gz GNZBXGQPKYVMCH-UHFFFAOYSA-N 1 2 362.433 2.892 20 30 FFEDLO C=CCOc1ccc(CN2CC[NH+](Cc3cccnc3)CC2)cc1OC ZINC000183664484 509915002 /nfs/dbraw/zinc/91/50/02/509915002.db2.gz MSNFYYOAYJKUIL-UHFFFAOYSA-N 1 2 353.466 2.973 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1OC ZINC000183664484 509915011 /nfs/dbraw/zinc/91/50/11/509915011.db2.gz MSNFYYOAYJKUIL-UHFFFAOYSA-N 1 2 353.466 2.973 20 30 FFEDLO C[C@H]([C@H](C)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000174089567 509944395 /nfs/dbraw/zinc/94/43/95/509944395.db2.gz XEJVTIDEJQCADM-NWDGAFQWSA-N 1 2 370.375 2.808 20 30 FFEDLO C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000190147579 509966745 /nfs/dbraw/zinc/96/67/45/509966745.db2.gz VGJMOTGPONJXFI-AWEZNQCLSA-N 1 2 365.437 2.585 20 30 FFEDLO N#Cc1ccc(C(F)(F)F)nc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000265296261 509973936 /nfs/dbraw/zinc/97/39/36/509973936.db2.gz YYJFNHARFGXPEP-UHFFFAOYSA-N 1 2 363.343 2.816 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(C(F)(F)F)ccc1F ZINC000268531934 509993084 /nfs/dbraw/zinc/99/30/84/509993084.db2.gz XKHCRXGIOWKJFR-UHFFFAOYSA-N 1 2 373.350 2.533 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+]C1(c2noc(C)n2)CCCC1 ZINC000174233024 510016393 /nfs/dbraw/zinc/01/63/93/510016393.db2.gz QQFKOXKDANDEFH-QGZVFWFLSA-N 1 2 357.454 2.905 20 30 FFEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000177726364 510219663 /nfs/dbraw/zinc/21/96/63/510219663.db2.gz HFBTWBOHPWPXDM-DLUDVSRJSA-N 1 2 355.463 2.927 20 30 FFEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000177726364 510219667 /nfs/dbraw/zinc/21/96/67/510219667.db2.gz HFBTWBOHPWPXDM-DLUDVSRJSA-N 1 2 355.463 2.927 20 30 FFEDLO COc1cc(OC)cc([C@H]([NH2+]Cc2cc(C#N)n(C)c2)c2nccn2C)c1 ZINC000190739024 510319476 /nfs/dbraw/zinc/31/94/76/510319476.db2.gz WNJBFYVRWLKQCM-IBGZPJMESA-N 1 2 365.437 2.527 20 30 FFEDLO CCC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)CC(=O)N(C)C ZINC000174831360 510332766 /nfs/dbraw/zinc/33/27/66/510332766.db2.gz KITBXUIZOFKHLG-UHFFFAOYSA-N 1 2 354.454 2.538 20 30 FFEDLO CCC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)CC(=O)N(C)C ZINC000174831360 510332776 /nfs/dbraw/zinc/33/27/76/510332776.db2.gz KITBXUIZOFKHLG-UHFFFAOYSA-N 1 2 354.454 2.538 20 30 FFEDLO C=CC[N@@H+](CCOc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000171748465 510345124 /nfs/dbraw/zinc/34/51/24/510345124.db2.gz NLZJSRKSWGVESZ-CQSZACIVSA-N 1 2 363.401 2.759 20 30 FFEDLO C=CC[N@H+](CCOc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000171748465 510345126 /nfs/dbraw/zinc/34/51/26/510345126.db2.gz NLZJSRKSWGVESZ-CQSZACIVSA-N 1 2 363.401 2.759 20 30 FFEDLO COC(=O)[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1cccc(C#N)c1 ZINC000187713295 510397774 /nfs/dbraw/zinc/39/77/74/510397774.db2.gz DIOQXFVDNHAXJQ-INIZCTEOSA-N 1 2 369.387 2.636 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178162685 510464180 /nfs/dbraw/zinc/46/41/80/510464180.db2.gz UUIBORBZTNDDNJ-FQEVSTJZSA-N 1 2 367.424 2.729 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c(C#N)c1C ZINC000269679976 510510156 /nfs/dbraw/zinc/51/01/56/510510156.db2.gz ZMFBONSHMAWSLD-NSHDSACASA-N 1 2 364.446 2.552 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c(C#N)c1C ZINC000269679976 510510161 /nfs/dbraw/zinc/51/01/61/510510161.db2.gz ZMFBONSHMAWSLD-NSHDSACASA-N 1 2 364.446 2.552 20 30 FFEDLO CCOC(=O)[C@]1(C(C)C)CC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000194861166 510561815 /nfs/dbraw/zinc/56/18/15/510561815.db2.gz LRCVEMGFVWKENT-FXAWDEMLSA-N 1 2 358.438 2.684 20 30 FFEDLO CCOC(=O)[C@]1(C(C)C)CC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000194861166 510561822 /nfs/dbraw/zinc/56/18/22/510561822.db2.gz LRCVEMGFVWKENT-FXAWDEMLSA-N 1 2 358.438 2.684 20 30 FFEDLO CN(C(=O)C[N@H+](C)Cc1ccc([S@@](C)=O)cc1)C1(C#N)CCCCC1 ZINC000178416049 510593036 /nfs/dbraw/zinc/59/30/36/510593036.db2.gz ITMCTJWAIMWTOG-RUZDIDTESA-N 1 2 361.511 2.541 20 30 FFEDLO CN(C(=O)C[N@@H+](C)Cc1ccc([S@@](C)=O)cc1)C1(C#N)CCCCC1 ZINC000178416049 510593044 /nfs/dbraw/zinc/59/30/44/510593044.db2.gz ITMCTJWAIMWTOG-RUZDIDTESA-N 1 2 361.511 2.541 20 30 FFEDLO CCO[C@@H](C)c1nc(CN2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)cs1 ZINC000191413936 510649404 /nfs/dbraw/zinc/64/94/04/510649404.db2.gz SYQWVBSOIQHKFE-HNNXBMFYSA-N 1 2 373.526 2.769 20 30 FFEDLO Cc1c(C#N)cccc1NC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000178564607 510665335 /nfs/dbraw/zinc/66/53/35/510665335.db2.gz UEDJBYPWEVJMQR-AWEZNQCLSA-N 1 2 365.437 2.809 20 30 FFEDLO C=CC[C@@H](C(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1)c1ccccc1 ZINC000195190708 510708179 /nfs/dbraw/zinc/70/81/79/510708179.db2.gz FHIAOUVARUHFPV-SNCIUUNGSA-N 1 2 372.509 2.732 20 30 FFEDLO COc1ccc2c(c1)C[N@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000178728643 510740937 /nfs/dbraw/zinc/74/09/37/510740937.db2.gz AZERHYHINLNADQ-QGZVFWFLSA-N 1 2 353.447 2.792 20 30 FFEDLO COc1ccc2c(c1)C[N@@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000178728643 510740945 /nfs/dbraw/zinc/74/09/45/510740945.db2.gz AZERHYHINLNADQ-QGZVFWFLSA-N 1 2 353.447 2.792 20 30 FFEDLO CCC1(CC)C[N@H+](CCC(=O)Nc2sccc2C#N)CC[S@@]1=O ZINC000185227283 510758841 /nfs/dbraw/zinc/75/88/41/510758841.db2.gz XEOSMXOPWQDVEA-QHCPKHFHSA-N 1 2 353.513 2.571 20 30 FFEDLO CCC1(CC)C[N@@H+](CCC(=O)Nc2sccc2C#N)CC[S@@]1=O ZINC000185227283 510758847 /nfs/dbraw/zinc/75/88/47/510758847.db2.gz XEOSMXOPWQDVEA-QHCPKHFHSA-N 1 2 353.513 2.571 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178774292 510764649 /nfs/dbraw/zinc/76/46/49/510764649.db2.gz PWBQYLSRFJAPOG-KRWDZBQOSA-N 1 2 372.488 2.674 20 30 FFEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000329905051 510873777 /nfs/dbraw/zinc/87/37/77/510873777.db2.gz JMYXTQZLJNVLFY-AEFFLSMTSA-N 1 2 368.481 2.881 20 30 FFEDLO C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)[C@H](C)C1 ZINC000329926570 510880583 /nfs/dbraw/zinc/88/05/83/510880583.db2.gz WHZSVXFOTBNEAJ-NRKLIOEPSA-N 1 2 365.497 2.661 20 30 FFEDLO CCN1CCN(C(=O)NCC2(c3ccccc3)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329934706 510881858 /nfs/dbraw/zinc/88/18/58/510881858.db2.gz QRUURFBSDWDGFI-QGZVFWFLSA-N 1 2 353.470 2.734 20 30 FFEDLO Cc1cccc2c1OCC[C@H]2NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000329971598 510889555 /nfs/dbraw/zinc/88/95/55/510889555.db2.gz VPEDESAQHPBRHW-QGPMSJSTSA-N 1 2 370.453 2.976 20 30 FFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000329981199 510892584 /nfs/dbraw/zinc/89/25/84/510892584.db2.gz MUKUFZLTPVPVII-FQEVSTJZSA-N 1 2 352.438 2.765 20 30 FFEDLO CCN1CCN(C(=O)NCc2ccn(C3CCCC3)n2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329996688 510897795 /nfs/dbraw/zinc/89/77/95/510897795.db2.gz PGOSANPZEJEQPA-QGZVFWFLSA-N 1 2 371.489 2.514 20 30 FFEDLO Cc1nc(N2CCN(C(=O)NC[C@@H]3CCC4(CCCCC4)O3)CC2)cc[nH+]1 ZINC000330110062 510918444 /nfs/dbraw/zinc/91/84/44/510918444.db2.gz QBESEAHYHXIMLK-KRWDZBQOSA-N 1 2 373.501 2.703 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)C[C@]2(CCCOC2)O1 ZINC000330152725 510925628 /nfs/dbraw/zinc/92/56/28/510925628.db2.gz MGLXUMUTBQZOLO-XFKSJGNHSA-N 1 2 368.518 2.808 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)C[C@]2(CCCOC2)O1 ZINC000330152725 510925633 /nfs/dbraw/zinc/92/56/33/510925633.db2.gz MGLXUMUTBQZOLO-XFKSJGNHSA-N 1 2 368.518 2.808 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000330166026 510928810 /nfs/dbraw/zinc/92/88/10/510928810.db2.gz UXGDHXVOJJHHIF-JTQLQIEISA-N 1 2 369.450 2.639 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000330166026 510928816 /nfs/dbraw/zinc/92/88/16/510928816.db2.gz UXGDHXVOJJHHIF-JTQLQIEISA-N 1 2 369.450 2.639 20 30 FFEDLO CC[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1nnc2n1CCCCC2 ZINC000330177390 510931149 /nfs/dbraw/zinc/93/11/49/510931149.db2.gz CYSLTGHIZGSAFH-INIZCTEOSA-N 1 2 371.489 2.903 20 30 FFEDLO CC(=O)N1CC[C@@H](C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)C1 ZINC000330195892 510935253 /nfs/dbraw/zinc/93/52/53/510935253.db2.gz ZZRAZXZYCQLUHT-CQSZACIVSA-N 1 2 350.488 2.831 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282404396 510963406 /nfs/dbraw/zinc/96/34/06/510963406.db2.gz SFUVUHYWMZAEOK-MRXNPFEDSA-N 1 2 370.478 2.659 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1ccc(OCC#N)cc1 ZINC000277524983 510964731 /nfs/dbraw/zinc/96/47/31/510964731.db2.gz KTQFGBDCQCREBP-UHFFFAOYSA-N 1 2 354.454 2.829 20 30 FFEDLO CN(C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)c1nccs1 ZINC000285590928 510969550 /nfs/dbraw/zinc/96/95/50/510969550.db2.gz VYZOZCABQQXHBT-UHFFFAOYSA-N 1 2 374.441 2.660 20 30 FFEDLO CCN1CCN(C(=O)Nc2ccc(OC)c(Cl)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330353532 510972974 /nfs/dbraw/zinc/97/29/74/510972974.db2.gz OOMFLYVDLXZXLS-AWEZNQCLSA-N 1 2 363.849 2.996 20 30 FFEDLO Cc1ccc(-c2csc(NC(=O)CN3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)n2)cc1 ZINC000330361754 510974743 /nfs/dbraw/zinc/97/47/43/510974743.db2.gz YTDDQSPDMBNSKP-IRXDYDNUSA-N 1 2 372.494 2.721 20 30 FFEDLO Cc1ccc(-c2csc(NC(=O)CN3C[C@@H]4OCC[N@H+](C)[C@H]4C3)n2)cc1 ZINC000330361754 510974748 /nfs/dbraw/zinc/97/47/48/510974748.db2.gz YTDDQSPDMBNSKP-IRXDYDNUSA-N 1 2 372.494 2.721 20 30 FFEDLO C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278060291 510980590 /nfs/dbraw/zinc/98/05/90/510980590.db2.gz KGCUEJKNLHJNDL-AWEZNQCLSA-N 1 2 352.438 2.906 20 30 FFEDLO C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000361216245 511014265 /nfs/dbraw/zinc/01/42/65/511014265.db2.gz HQQANGHULOIVAK-CQSZACIVSA-N 1 2 350.422 2.621 20 30 FFEDLO Cc1cc(NC(=O)NCCC[S@](C)=O)c[nH+]c1N1CCCC[C@H]1C ZINC000330774118 511015742 /nfs/dbraw/zinc/01/57/42/511015742.db2.gz GKLHSZCKAFYPNY-SHACYNPGSA-N 1 2 352.504 2.863 20 30 FFEDLO CC(C)[C@@H]1CN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CCS1 ZINC000330935047 511030093 /nfs/dbraw/zinc/03/00/93/511030093.db2.gz LJVATHODCLCJBW-NSHDSACASA-N 1 2 350.410 2.933 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000287231559 511045099 /nfs/dbraw/zinc/04/50/99/511045099.db2.gz GAMDVSDJDHBCTH-OAQYLSRUSA-N 1 2 362.477 2.543 20 30 FFEDLO Cc1cccnc1OC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000279326804 511046678 /nfs/dbraw/zinc/04/66/78/511046678.db2.gz SWPYTDPXAUYKLG-UHFFFAOYSA-N 1 2 356.451 2.805 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)c3ccccn3)CC2)cc1OC ZINC000271067364 511073716 /nfs/dbraw/zinc/07/37/16/511073716.db2.gz KGPTWGDPFVIMNS-UHFFFAOYSA-N 1 2 367.449 2.613 20 30 FFEDLO C=CCCCN(C)C(=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000288649793 511082736 /nfs/dbraw/zinc/08/27/36/511082736.db2.gz AYSQVEDTNRKIGB-UHFFFAOYSA-N 1 2 368.481 2.557 20 30 FFEDLO C=C(C)C[NH+]1CCC(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000271222504 511127002 /nfs/dbraw/zinc/12/70/02/511127002.db2.gz CWQMEZSBXYHNDJ-UHFFFAOYSA-N 1 2 359.473 2.512 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(C2=CCCC2)cc1 ZINC000290124639 511128088 /nfs/dbraw/zinc/12/80/88/511128088.db2.gz SMSZRBMENJBTRL-UHFFFAOYSA-N 1 2 353.466 2.942 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCCC[C@H]1c1nnc[nH]1)CCC2 ZINC000298350519 511254382 /nfs/dbraw/zinc/25/43/82/511254382.db2.gz MNAZAODMMBQLKW-AWEZNQCLSA-N 1 2 370.482 2.782 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCCC[C@H]1c1nnc[nH]1)CCC2 ZINC000298350519 511254391 /nfs/dbraw/zinc/25/43/91/511254391.db2.gz MNAZAODMMBQLKW-AWEZNQCLSA-N 1 2 370.482 2.782 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000291722473 511311362 /nfs/dbraw/zinc/31/13/62/511311362.db2.gz JCOFFHQVSRTAEP-HZPDHXFCSA-N 1 2 365.424 2.580 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000291722473 511311365 /nfs/dbraw/zinc/31/13/65/511311365.db2.gz JCOFFHQVSRTAEP-HZPDHXFCSA-N 1 2 365.424 2.580 20 30 FFEDLO N#C[C@]1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CC12CCCC2 ZINC000295184768 511313480 /nfs/dbraw/zinc/31/34/80/511313480.db2.gz SFRUFTHUUZJXFA-DXIQSLLYSA-N 1 2 365.477 2.572 20 30 FFEDLO N#C[C@]1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CC12CCCC2 ZINC000295184768 511313481 /nfs/dbraw/zinc/31/34/81/511313481.db2.gz SFRUFTHUUZJXFA-DXIQSLLYSA-N 1 2 365.477 2.572 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)C[N@@H+]1CC[C@H](n3cccn3)C1)CCCCC2 ZINC000291953226 511404791 /nfs/dbraw/zinc/40/47/91/511404791.db2.gz UQKVRCZKUQZLQI-AWEZNQCLSA-N 1 2 369.494 2.971 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)C[N@H+]1CC[C@H](n3cccn3)C1)CCCCC2 ZINC000291953226 511404796 /nfs/dbraw/zinc/40/47/96/511404796.db2.gz UQKVRCZKUQZLQI-AWEZNQCLSA-N 1 2 369.494 2.971 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1Cl ZINC000295477560 511419886 /nfs/dbraw/zinc/41/98/86/511419886.db2.gz JBSOJLDIOAZWJX-UHFFFAOYSA-N 1 2 370.840 2.715 20 30 FFEDLO Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@@H]3[C@H](C#N)c3ccccc3)sc2n1 ZINC000363285062 511462359 /nfs/dbraw/zinc/46/23/59/511462359.db2.gz BFMVYBFKBKNYSV-HZPDHXFCSA-N 1 2 365.462 2.731 20 30 FFEDLO Cc1cc(=O)n2nc(C[N@H+]3CCC[C@@H]3[C@H](C#N)c3ccccc3)sc2n1 ZINC000363285062 511462361 /nfs/dbraw/zinc/46/23/61/511462361.db2.gz BFMVYBFKBKNYSV-HZPDHXFCSA-N 1 2 365.462 2.731 20 30 FFEDLO N#Cc1ccc(Oc2ccc(N3C(=O)N[C@@H](Cc4c[nH+]c[nH]4)C3=O)cc2)cc1 ZINC000348582467 511485779 /nfs/dbraw/zinc/48/57/79/511485779.db2.gz ICVNXRUGVZBRLH-SFHVURJKSA-N 1 2 373.372 2.741 20 30 FFEDLO C#Cc1cccc(NC(=O)C(=O)N2CCCC[C@H]2c2[nH+]ccn2CC)c1 ZINC000280541672 511504565 /nfs/dbraw/zinc/50/45/65/511504565.db2.gz HZCKNKJGPZKLHN-KRWDZBQOSA-N 1 2 350.422 2.577 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000280591962 511522958 /nfs/dbraw/zinc/52/29/58/511522958.db2.gz OADUKOBHKHHMLS-LJQANCHMSA-N 1 2 353.422 2.571 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@]2(CCOC2)O1 ZINC000280611984 511531497 /nfs/dbraw/zinc/53/14/97/511531497.db2.gz VZDZDPGNHLYXIC-IIBYNOLFSA-N 1 2 367.449 2.617 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@]2(CCOC2)O1 ZINC000280611984 511531503 /nfs/dbraw/zinc/53/15/03/511531503.db2.gz VZDZDPGNHLYXIC-IIBYNOLFSA-N 1 2 367.449 2.617 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000299180319 511542650 /nfs/dbraw/zinc/54/26/50/511542650.db2.gz QUQBKMISLZJQJN-MRXNPFEDSA-N 1 2 367.453 2.908 20 30 FFEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccco3)CC2)cnc1C(F)(F)F ZINC000292911410 511767902 /nfs/dbraw/zinc/76/79/02/511767902.db2.gz YINBNCCZCJFOSP-UHFFFAOYSA-N 1 2 364.327 2.523 20 30 FFEDLO CCn1cc[nH+]c1CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000296616611 511820529 /nfs/dbraw/zinc/82/05/29/511820529.db2.gz BEHAZDYVLIJWJM-UHFFFAOYSA-N 1 2 353.304 2.995 20 30 FFEDLO N#Cc1ccsc1C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000328627364 511898554 /nfs/dbraw/zinc/89/85/54/511898554.db2.gz MSLJTCSXPBDALA-HNNXBMFYSA-N 1 2 368.462 2.908 20 30 FFEDLO C[N@@H+]1CCO[C@H](CNC(=O)COc2ccc3oc4c(c3c2)CCCC4)C1 ZINC000328676661 511913418 /nfs/dbraw/zinc/91/34/18/511913418.db2.gz AETXKYUGFAVUIM-OAHLLOKOSA-N 1 2 358.438 2.978 20 30 FFEDLO C[N@H+]1CCO[C@H](CNC(=O)COc2ccc3oc4c(c3c2)CCCC4)C1 ZINC000328676661 511913421 /nfs/dbraw/zinc/91/34/21/511913421.db2.gz AETXKYUGFAVUIM-OAHLLOKOSA-N 1 2 358.438 2.978 20 30 FFEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2CCc3n[nH]nc3C2)C[C@@H](C)O1 ZINC000328792633 511933104 /nfs/dbraw/zinc/93/31/04/511933104.db2.gz RMASLSRMVQYTEV-KFWWJZLASA-N 1 2 369.469 2.807 20 30 FFEDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CC[C@H](C2CCOCC2)C1 ZINC000328876805 511944303 /nfs/dbraw/zinc/94/43/03/511944303.db2.gz ZYOHDTDXOLLONO-KRWDZBQOSA-N 1 2 358.486 2.713 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](C[C@H](O)c3ccc(F)cc3Cl)CC2)c1 ZINC000274800224 511946646 /nfs/dbraw/zinc/94/66/46/511946646.db2.gz UYWLXEBYIPWLON-KRWDZBQOSA-N 1 2 360.820 2.601 20 30 FFEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000328978054 511959383 /nfs/dbraw/zinc/95/93/83/511959383.db2.gz QQPOZXCJLYNQEJ-ARFHVFGLSA-N 1 2 362.426 2.519 20 30 FFEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000328978054 511959392 /nfs/dbraw/zinc/95/93/92/511959392.db2.gz QQPOZXCJLYNQEJ-ARFHVFGLSA-N 1 2 362.426 2.519 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)CC[C@H]2CCCCO2)CCC(=O)N1C1CC1 ZINC000328992205 511963001 /nfs/dbraw/zinc/96/30/01/511963001.db2.gz DKUYPOBKLQYJBP-JXXFODFXSA-N 1 2 374.485 2.920 20 30 FFEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000328996068 511964871 /nfs/dbraw/zinc/96/48/71/511964871.db2.gz JTMGMAMDXHVVRN-HNNXBMFYSA-N 1 2 367.497 2.852 20 30 FFEDLO O=C(C[N@@H+]1CCO[C@@]2(CCCOC2)C1)NCCc1cccc2cccnc21 ZINC000329088724 511980931 /nfs/dbraw/zinc/98/09/31/511980931.db2.gz VUQXHFNZJKXJEL-NRFANRHFSA-N 1 2 369.465 2.615 20 30 FFEDLO O=C(C[N@H+]1CCO[C@@]2(CCCOC2)C1)NCCc1cccc2cccnc21 ZINC000329088724 511980938 /nfs/dbraw/zinc/98/09/38/511980938.db2.gz VUQXHFNZJKXJEL-NRFANRHFSA-N 1 2 369.465 2.615 20 30 FFEDLO CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000329103941 511982814 /nfs/dbraw/zinc/98/28/14/511982814.db2.gz GIEFNLALWBTZFM-CVEARBPZSA-N 1 2 361.490 2.745 20 30 FFEDLO O=C(Nc1ccccc1)C1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000329105088 511984553 /nfs/dbraw/zinc/98/45/53/511984553.db2.gz OHJSGSBNEUDHKS-UHFFFAOYSA-N 1 2 371.481 2.768 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)[C@H]1C ZINC000293508748 511991622 /nfs/dbraw/zinc/99/16/22/511991622.db2.gz UYHAYMDSJGSBNQ-OWCLPIDISA-N 1 2 370.497 2.696 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)[C@H]1C ZINC000293508748 511991626 /nfs/dbraw/zinc/99/16/26/511991626.db2.gz UYHAYMDSJGSBNQ-OWCLPIDISA-N 1 2 370.497 2.696 20 30 FFEDLO CCn1cnc2c(c1=O)CC[N@H+](CC(=O)NC13CC4CC(CC(C4)C1)C3)C2 ZINC000329157751 511995119 /nfs/dbraw/zinc/99/51/19/511995119.db2.gz CNVYFSYQZCFSFZ-UHFFFAOYSA-N 1 2 370.497 2.547 20 30 FFEDLO CCn1cnc2c(c1=O)CC[N@@H+](CC(=O)NC13CC4CC(CC(C4)C1)C3)C2 ZINC000329157751 511995125 /nfs/dbraw/zinc/99/51/25/511995125.db2.gz CNVYFSYQZCFSFZ-UHFFFAOYSA-N 1 2 370.497 2.547 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)Nc1nccs1 ZINC000329164829 511995872 /nfs/dbraw/zinc/99/58/72/511995872.db2.gz HFCOKVFMGWLSNR-RYUDHWBXSA-N 1 2 353.423 2.686 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)Nc1nccs1 ZINC000329164829 511995877 /nfs/dbraw/zinc/99/58/77/511995877.db2.gz HFCOKVFMGWLSNR-RYUDHWBXSA-N 1 2 353.423 2.686 20 30 FFEDLO O=C(Nc1ccc(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1)NC1CC1 ZINC000329250504 512014193 /nfs/dbraw/zinc/01/41/93/512014193.db2.gz UKWVEPNJHNHNSO-GOSISDBHSA-N 1 2 372.469 2.757 20 30 FFEDLO O=C(Nc1ccc(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1)NC1CC1 ZINC000329250504 512014195 /nfs/dbraw/zinc/01/41/95/512014195.db2.gz UKWVEPNJHNHNSO-GOSISDBHSA-N 1 2 372.469 2.757 20 30 FFEDLO N#CCCOCC[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000293585288 512018023 /nfs/dbraw/zinc/01/80/23/512018023.db2.gz UCALNFYOQJOWLS-UHFFFAOYSA-N 1 2 356.253 2.681 20 30 FFEDLO N#Cc1ccc(Cl)c(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000285149788 512018955 /nfs/dbraw/zinc/01/89/55/512018955.db2.gz XMFRGJNPTSGMCD-KRWDZBQOSA-N 1 2 369.852 2.842 20 30 FFEDLO N#Cc1ccc(Cl)c(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000285149788 512018961 /nfs/dbraw/zinc/01/89/61/512018961.db2.gz XMFRGJNPTSGMCD-KRWDZBQOSA-N 1 2 369.852 2.842 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(C#N)o1 ZINC000285176295 512027253 /nfs/dbraw/zinc/02/72/53/512027253.db2.gz PXSWQKSZWZHXKC-INIZCTEOSA-N 1 2 371.441 2.679 20 30 FFEDLO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@]1(CO)CCOC1 ZINC000329327760 512027951 /nfs/dbraw/zinc/02/79/51/512027951.db2.gz XKSKUEZSPJQSPB-GOSISDBHSA-N 1 2 363.483 2.560 20 30 FFEDLO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@]1(CO)CCOC1 ZINC000329327760 512027955 /nfs/dbraw/zinc/02/79/55/512027955.db2.gz XKSKUEZSPJQSPB-GOSISDBHSA-N 1 2 363.483 2.560 20 30 FFEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)NCC1(c2ccccc2)CCCC1 ZINC000329410839 512041224 /nfs/dbraw/zinc/04/12/24/512041224.db2.gz DCBPJRDIRIJKKP-INIZCTEOSA-N 1 2 370.453 2.531 20 30 FFEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)NCC1(c2ccccc2)CCCC1 ZINC000329410839 512041232 /nfs/dbraw/zinc/04/12/32/512041232.db2.gz DCBPJRDIRIJKKP-INIZCTEOSA-N 1 2 370.453 2.531 20 30 FFEDLO N#CC1(CCCN2CC[NH+](CCOc3ccccc3)CC2)CCOCC1 ZINC000281999330 512041460 /nfs/dbraw/zinc/04/14/60/512041460.db2.gz NLMSDDHLWAYGHD-UHFFFAOYSA-N 1 2 357.498 2.784 20 30 FFEDLO COCCN(C)c1ccc(/C=C/C(=O)c2cc(C(=O)OC)cs2)c[nH+]1 ZINC000285236113 512047807 /nfs/dbraw/zinc/04/78/07/512047807.db2.gz TYDWFHOBQUWXIB-GQCTYLIASA-N 1 2 360.435 2.908 20 30 FFEDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1cnc2c(c1)CCCC2 ZINC000329456424 512050615 /nfs/dbraw/zinc/05/06/15/512050615.db2.gz NIWGPXXXQKBDKC-UHFFFAOYSA-N 1 2 367.453 2.718 20 30 FFEDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000329502121 512059584 /nfs/dbraw/zinc/05/95/84/512059584.db2.gz KRGVHUPHAAMBJF-HNNXBMFYSA-N 1 2 359.451 2.748 20 30 FFEDLO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329577644 512072486 /nfs/dbraw/zinc/07/24/86/512072486.db2.gz ORPWPVIKCUZVCZ-WLRQEKSISA-N 1 2 368.474 2.669 20 30 FFEDLO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329577644 512072490 /nfs/dbraw/zinc/07/24/90/512072490.db2.gz ORPWPVIKCUZVCZ-WLRQEKSISA-N 1 2 368.474 2.669 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCOCC(F)(F)C3)n2)C1 ZINC000329610755 512076669 /nfs/dbraw/zinc/07/66/69/512076669.db2.gz CCHAXXJIQLJHGO-GFCCVEGCSA-N 1 2 374.457 2.888 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCOCC(F)(F)C3)n2)C1 ZINC000329610755 512076675 /nfs/dbraw/zinc/07/66/75/512076675.db2.gz CCHAXXJIQLJHGO-GFCCVEGCSA-N 1 2 374.457 2.888 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC000329696768 512087025 /nfs/dbraw/zinc/08/70/25/512087025.db2.gz BZSYVZAPDWXPQO-ARFHVFGLSA-N 1 2 356.532 2.811 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC000329696768 512087042 /nfs/dbraw/zinc/08/70/42/512087042.db2.gz BZSYVZAPDWXPQO-ARFHVFGLSA-N 1 2 356.532 2.811 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCN(c2ccccc2Cl)CC1 ZINC000329721744 512090492 /nfs/dbraw/zinc/09/04/92/512090492.db2.gz NECFMKSCFWVUKY-CYBMUJFWSA-N 1 2 359.861 2.657 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCN(c2ccccc2Cl)CC1 ZINC000329721744 512090493 /nfs/dbraw/zinc/09/04/93/512090493.db2.gz NECFMKSCFWVUKY-CYBMUJFWSA-N 1 2 359.861 2.657 20 30 FFEDLO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329730578 512090897 /nfs/dbraw/zinc/09/08/97/512090897.db2.gz GFZKIBNEVKFIEY-JYJNAYRXSA-N 1 2 361.490 2.540 20 30 FFEDLO CCn1cc(Br)c(=O)c(NC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000329768564 512095075 /nfs/dbraw/zinc/09/50/75/512095075.db2.gz DTRJETXONLTFQQ-JTQLQIEISA-N 1 2 365.231 2.678 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375767500 512496839 /nfs/dbraw/zinc/49/68/39/512496839.db2.gz FQUIJWRQQDVFFK-QZTJIDSGSA-N 1 2 361.417 2.567 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375767500 512496842 /nfs/dbraw/zinc/49/68/42/512496842.db2.gz FQUIJWRQQDVFFK-QZTJIDSGSA-N 1 2 361.417 2.567 20 30 FFEDLO CCN1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000376009623 512613914 /nfs/dbraw/zinc/61/39/14/512613914.db2.gz PRSICCOTAIZHHH-QGZVFWFLSA-N 1 2 369.444 2.603 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000376135852 512678227 /nfs/dbraw/zinc/67/82/27/512678227.db2.gz SONKGWIHLQOVAQ-GPMSIDNRSA-N 1 2 360.502 2.971 20 30 FFEDLO C=CCOc1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000376276143 512744834 /nfs/dbraw/zinc/74/48/34/512744834.db2.gz UFYDOAAFIRONIK-UHFFFAOYSA-N 1 2 363.421 2.832 20 30 FFEDLO Cc1oc(NC(=O)C[NH+]2CCC(c3nccc(C)n3)CC2)c(C#N)c1C ZINC000376295346 512754265 /nfs/dbraw/zinc/75/42/65/512754265.db2.gz GWBYXAVMRZFHKP-UHFFFAOYSA-N 1 2 353.426 2.685 20 30 FFEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(NC(=O)C2CCOCC2)CC1 ZINC000372483793 512898600 /nfs/dbraw/zinc/89/86/00/512898600.db2.gz WVGLHKAKSCTQPF-UHFFFAOYSA-N 1 2 361.873 2.719 20 30 FFEDLO Cn1cc([C@@H]([NH2+]CC(=O)Nc2sccc2C#N)c2ccccc2)cn1 ZINC000374596111 512908581 /nfs/dbraw/zinc/90/85/81/512908581.db2.gz QVGHDHNAGGCRDJ-KRWDZBQOSA-N 1 2 351.435 2.671 20 30 FFEDLO Cc1cn2c([nH+]1)CN([C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)CC2 ZINC000374661329 512942084 /nfs/dbraw/zinc/94/20/84/512942084.db2.gz LINPLZZDMPOGGZ-QGZVFWFLSA-N 1 2 351.454 2.651 20 30 FFEDLO CCC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000377012460 513088816 /nfs/dbraw/zinc/08/88/16/513088816.db2.gz GJLKADLWZUQDNR-UHFFFAOYSA-N 1 2 350.260 2.765 20 30 FFEDLO CCC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000377012460 513088821 /nfs/dbraw/zinc/08/88/21/513088821.db2.gz GJLKADLWZUQDNR-UHFFFAOYSA-N 1 2 350.260 2.765 20 30 FFEDLO Cc1cccn2cc(-c3ccc(NC(=O)[C@@H](C)n4cnc(C#N)n4)cc3)[nH+]c12 ZINC000409480143 513111050 /nfs/dbraw/zinc/11/10/50/513111050.db2.gz PTGRAXXTXMRWAA-CQSZACIVSA-N 1 2 371.404 2.973 20 30 FFEDLO Cn1c(C#N)ccc1C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000450327287 513144468 /nfs/dbraw/zinc/14/44/68/513144468.db2.gz BQYMJPXQKCHUMJ-UHFFFAOYSA-N 1 2 359.433 2.534 20 30 FFEDLO Cc1cc(CNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)cc(C)[nH+]1 ZINC000421244013 513174115 /nfs/dbraw/zinc/17/41/15/513174115.db2.gz FLYPDBGPPDJXSK-UHFFFAOYSA-N 1 2 366.421 2.636 20 30 FFEDLO COc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1Cl ZINC000450488175 513218076 /nfs/dbraw/zinc/21/80/76/513218076.db2.gz XDJDOMGHUOWUIJ-ZDUSSCGKSA-N 1 2 357.845 2.721 20 30 FFEDLO COc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1Cl ZINC000450488175 513218087 /nfs/dbraw/zinc/21/80/87/513218087.db2.gz XDJDOMGHUOWUIJ-ZDUSSCGKSA-N 1 2 357.845 2.721 20 30 FFEDLO Cc1c(Cl)c(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1C ZINC000421341364 513229710 /nfs/dbraw/zinc/22/97/10/513229710.db2.gz KCRGWNXCXRIDQB-OAHLLOKOSA-N 1 2 357.845 2.539 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@]2(C#N)C[C@@H]2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000450529314 513238148 /nfs/dbraw/zinc/23/81/48/513238148.db2.gz UCSARXMDJKFBTF-WHJNVQRBSA-N 1 2 351.372 2.905 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)[C@]2(C#N)C[C@@H]2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000450529314 513238152 /nfs/dbraw/zinc/23/81/52/513238152.db2.gz UCSARXMDJKFBTF-WHJNVQRBSA-N 1 2 351.372 2.905 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000450530448 513238544 /nfs/dbraw/zinc/23/85/44/513238544.db2.gz YUYKQJLHJWXSAL-JHMUCCBASA-N 1 2 368.399 2.947 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000450530448 513238547 /nfs/dbraw/zinc/23/85/47/513238547.db2.gz YUYKQJLHJWXSAL-JHMUCCBASA-N 1 2 368.399 2.947 20 30 FFEDLO COC(=O)[C@H](CC(C)C)[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000429145844 513289926 /nfs/dbraw/zinc/28/99/26/513289926.db2.gz VOYDINRYKYAFPE-MSOLQXFVSA-N 1 2 357.454 2.573 20 30 FFEDLO COC(=O)[C@H](CC(C)C)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000429145844 513289928 /nfs/dbraw/zinc/28/99/28/513289928.db2.gz VOYDINRYKYAFPE-MSOLQXFVSA-N 1 2 357.454 2.573 20 30 FFEDLO C[C@@H](C(=O)N1CCCC(C)(C)[C@@H]1C#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000434449171 513325888 /nfs/dbraw/zinc/32/58/88/513325888.db2.gz BGSGJSYYAJFZAH-LPHOPBHVSA-N 1 2 372.488 2.877 20 30 FFEDLO N#C[C@H]1CC[C@@H](NC(=O)C2CCN(c3ccc4cccc(O)c4[nH+]3)CC2)C1 ZINC000424968157 513347376 /nfs/dbraw/zinc/34/73/76/513347376.db2.gz UTBCGXNRPZXMDX-WMLDXEAASA-N 1 2 364.449 2.965 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)N(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000434712638 513404076 /nfs/dbraw/zinc/40/40/76/513404076.db2.gz CRQKSWTZFAFAOD-OAHLLOKOSA-N 1 2 356.388 2.589 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@]3(CO)CCCc4ccccc43)o2)c1 ZINC000440815846 513413751 /nfs/dbraw/zinc/41/37/51/513413751.db2.gz AMZXFLNYIPLUPX-NRFANRHFSA-N 1 2 360.417 2.922 20 30 FFEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)c1ccco1 ZINC000450983916 513439569 /nfs/dbraw/zinc/43/95/69/513439569.db2.gz ZWJIZGWASUBNEQ-CQSZACIVSA-N 1 2 367.858 2.580 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000435023713 513491073 /nfs/dbraw/zinc/49/10/73/513491073.db2.gz NAHACXCRASXELQ-KRWDZBQOSA-N 1 2 360.461 2.890 20 30 FFEDLO CCc1cc(N)nc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)[nH+]1 ZINC000447783238 513568084 /nfs/dbraw/zinc/56/80/84/513568084.db2.gz OBJIGVSPLQFPHC-ZDUSSCGKSA-N 1 2 355.467 2.879 20 30 FFEDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000430208959 513587456 /nfs/dbraw/zinc/58/74/56/513587456.db2.gz QFSKQIJSCFOZLS-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO C=C(C)CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000435444927 513593167 /nfs/dbraw/zinc/59/31/67/513593167.db2.gz BMIWRWLVIIHNMU-HNNXBMFYSA-N 1 2 360.882 2.939 20 30 FFEDLO C=C(C)CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000435444927 513593174 /nfs/dbraw/zinc/59/31/74/513593174.db2.gz BMIWRWLVIIHNMU-HNNXBMFYSA-N 1 2 360.882 2.939 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000425492165 513597020 /nfs/dbraw/zinc/59/70/20/513597020.db2.gz NARNYTMKQPGESM-ROUUACIJSA-N 1 2 354.454 2.516 20 30 FFEDLO C[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)[C@@H]1C(=O)OC(C)(C)C ZINC000425511405 513611399 /nfs/dbraw/zinc/61/13/99/513611399.db2.gz CXNKDHFZDKWPMK-BEFAXECRSA-N 1 2 371.481 2.617 20 30 FFEDLO C[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)[C@@H]1C(=O)OC(C)(C)C ZINC000425511405 513611409 /nfs/dbraw/zinc/61/14/09/513611409.db2.gz CXNKDHFZDKWPMK-BEFAXECRSA-N 1 2 371.481 2.617 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430335863 513625625 /nfs/dbraw/zinc/62/56/25/513625625.db2.gz BRGLGADQHGVVNA-NRFANRHFSA-N 1 2 365.481 2.576 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430335863 513625629 /nfs/dbraw/zinc/62/56/29/513625629.db2.gz BRGLGADQHGVVNA-NRFANRHFSA-N 1 2 365.481 2.576 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(NC[C@@H]2CCO[C@H]2C(=C)C)nc[nH+]1 ZINC000435602397 513632784 /nfs/dbraw/zinc/63/27/84/513632784.db2.gz CKYFXEKDDCGDNO-JSJNYSNDSA-N 1 2 358.486 2.685 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(NC[C@@H]2CCO[C@H]2C(=C)C)[nH+]cn1 ZINC000435602397 513632785 /nfs/dbraw/zinc/63/27/85/513632785.db2.gz CKYFXEKDDCGDNO-JSJNYSNDSA-N 1 2 358.486 2.685 20 30 FFEDLO Cc1cc(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc(C)[nH+]1 ZINC000422198855 513634410 /nfs/dbraw/zinc/63/44/10/513634410.db2.gz CZUHDHKLVHNSHD-FQEVSTJZSA-N 1 2 363.465 2.618 20 30 FFEDLO C=CCN1C(=O)N(Cc2cn3ccccc3[nH+]2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430891491 513775034 /nfs/dbraw/zinc/77/50/34/513775034.db2.gz ULZHHGPLCLRKKI-SFHVURJKSA-N 1 2 360.417 2.896 20 30 FFEDLO COC1(C(F)(F)F)CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000419342562 513782952 /nfs/dbraw/zinc/78/29/52/513782952.db2.gz AZCONSPFHDNNBU-GFCCVEGCSA-N 1 2 373.400 2.768 20 30 FFEDLO COc1cc(C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)ccc1C#N ZINC000442885118 513803732 /nfs/dbraw/zinc/80/37/32/513803732.db2.gz MDCMPWCQVMJFTE-UHFFFAOYSA-N 1 2 371.387 2.803 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)c(O)c1)c1ccccc1F ZINC000442898294 513807954 /nfs/dbraw/zinc/80/79/54/513807954.db2.gz KLASKASBCIEVAO-QGZVFWFLSA-N 1 2 350.353 2.656 20 30 FFEDLO CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442900692 513809135 /nfs/dbraw/zinc/80/91/35/513809135.db2.gz NHIGHTOQCONLIJ-UHFFFAOYSA-N 1 2 366.446 2.624 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000413832990 513837776 /nfs/dbraw/zinc/83/77/76/513837776.db2.gz JPODEBPLMJUJAO-RTBURBONSA-N 1 2 367.497 2.985 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000413836140 513840350 /nfs/dbraw/zinc/84/03/50/513840350.db2.gz OPIBWNFUPQRDBU-WOJBJXKFSA-N 1 2 357.498 2.680 20 30 FFEDLO C=CCC[C@@H]1NC(=O)N([C@@H](CC)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000419940904 513974955 /nfs/dbraw/zinc/97/49/55/513974955.db2.gz VOMAAKXFORMENA-GBESFXJTSA-N 1 2 371.481 2.553 20 30 FFEDLO C=CCC[C@@H]1NC(=O)N([C@@H](CC)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000419940904 513974958 /nfs/dbraw/zinc/97/49/58/513974958.db2.gz VOMAAKXFORMENA-GBESFXJTSA-N 1 2 371.481 2.553 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(NC(=O)C2CCCCC2)cc1 ZINC000414154737 513992416 /nfs/dbraw/zinc/99/24/16/513992416.db2.gz UERDCMXXBSNVLD-SFHVURJKSA-N 1 2 359.470 2.791 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(NC(=O)C2CCCCC2)cc1 ZINC000414154737 513992423 /nfs/dbraw/zinc/99/24/23/513992423.db2.gz UERDCMXXBSNVLD-SFHVURJKSA-N 1 2 359.470 2.791 20 30 FFEDLO COc1cc(F)cc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000449044257 514046802 /nfs/dbraw/zinc/04/68/02/514046802.db2.gz CPIVERWVEDUKDN-VBKZILBWSA-N 1 2 351.381 2.680 20 30 FFEDLO COc1cc(F)cc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000449044257 514046810 /nfs/dbraw/zinc/04/68/10/514046810.db2.gz CPIVERWVEDUKDN-VBKZILBWSA-N 1 2 351.381 2.680 20 30 FFEDLO CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C#N)c(C)c2)c[nH+]1 ZINC000443957657 514081521 /nfs/dbraw/zinc/08/15/21/514081521.db2.gz DQMWXGRNQVHJST-UHFFFAOYSA-N 1 2 358.467 2.586 20 30 FFEDLO CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H](C)CS(=O)(=O)CC ZINC000437142553 514099574 /nfs/dbraw/zinc/09/95/74/514099574.db2.gz IZUYHEADUFARNA-GFCCVEGCSA-N 1 2 360.426 2.805 20 30 FFEDLO CC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H](C)CS(=O)(=O)CC ZINC000437142553 514099583 /nfs/dbraw/zinc/09/95/83/514099583.db2.gz IZUYHEADUFARNA-GFCCVEGCSA-N 1 2 360.426 2.805 20 30 FFEDLO Cc1c(C#N)cccc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000432260843 514140332 /nfs/dbraw/zinc/14/03/32/514140332.db2.gz ZBUGTJMAJWKFMS-IBGZPJMESA-N 1 2 364.449 2.889 20 30 FFEDLO Cc1c(C#N)cccc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000432260843 514140339 /nfs/dbraw/zinc/14/03/39/514140339.db2.gz ZBUGTJMAJWKFMS-IBGZPJMESA-N 1 2 364.449 2.889 20 30 FFEDLO Cc1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3OC(F)F)CC2)on1 ZINC000437437168 514160827 /nfs/dbraw/zinc/16/08/27/514160827.db2.gz VSTXZDLYSBREDS-UHFFFAOYSA-N 1 2 362.380 2.774 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000437573585 514184560 /nfs/dbraw/zinc/18/45/60/514184560.db2.gz BIYAYRYDYQXBTB-OAQYLSRUSA-N 1 2 360.498 2.958 20 30 FFEDLO Cc1cc(NC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c(C#N)cc1N(C)C ZINC000417167246 514205212 /nfs/dbraw/zinc/20/52/12/514205212.db2.gz ZJAAAVZQMFQUME-KRWDZBQOSA-N 1 2 352.442 2.939 20 30 FFEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000432836762 514297905 /nfs/dbraw/zinc/29/79/05/514297905.db2.gz VZJASBKAWGDHDX-UHFFFAOYSA-N 1 2 360.477 2.736 20 30 FFEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000432836762 514297913 /nfs/dbraw/zinc/29/79/13/514297913.db2.gz VZJASBKAWGDHDX-UHFFFAOYSA-N 1 2 360.477 2.736 20 30 FFEDLO C=CCCCS(=O)(=O)Nc1ccc(N2CCOCC2)c2cc[nH+]cc12 ZINC000427746068 514299947 /nfs/dbraw/zinc/29/99/47/514299947.db2.gz GJEVRWITCAUYBL-UHFFFAOYSA-N 1 2 361.467 2.779 20 30 FFEDLO Cc1ncc(S(=O)(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc1C#N ZINC000427774260 514311287 /nfs/dbraw/zinc/31/12/87/514311287.db2.gz BVMHBZKLJSRIFJ-UHFFFAOYSA-N 1 2 364.858 2.778 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)cc1F ZINC000427790140 514315212 /nfs/dbraw/zinc/31/52/12/514315212.db2.gz QUVKMNCNDKKMNP-UHFFFAOYSA-N 1 2 359.304 2.850 20 30 FFEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449914618 514422245 /nfs/dbraw/zinc/42/22/45/514422245.db2.gz MIUUSHMTFOBPTI-FZKQIMNGSA-N 1 2 353.382 2.983 20 30 FFEDLO Cc1cc(NC(=O)CNc2ccc(C#N)cn2)ccc1Oc1cc[nH+]cc1 ZINC000428209335 514422666 /nfs/dbraw/zinc/42/26/66/514422666.db2.gz QQOMAKONUIZQPD-UHFFFAOYSA-N 1 2 359.389 2.922 20 30 FFEDLO C=CC[N@@H+](Cc1nnc(C(C)C)[nH]1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000428247095 514432414 /nfs/dbraw/zinc/43/24/14/514432414.db2.gz IWRFFRKHHGQLLK-CQSZACIVSA-N 1 2 352.446 2.653 20 30 FFEDLO C=CC[N@H+](Cc1nnc(C(C)C)[nH]1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000428247095 514432419 /nfs/dbraw/zinc/43/24/19/514432419.db2.gz IWRFFRKHHGQLLK-CQSZACIVSA-N 1 2 352.446 2.653 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433294301 514448627 /nfs/dbraw/zinc/44/86/27/514448627.db2.gz KXBDXBFGYXDWCD-UHFFFAOYSA-N 1 2 353.470 2.587 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433294301 514448635 /nfs/dbraw/zinc/44/86/35/514448635.db2.gz KXBDXBFGYXDWCD-UHFFFAOYSA-N 1 2 353.470 2.587 20 30 FFEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)c(Cl)c1 ZINC000439433981 514551703 /nfs/dbraw/zinc/55/17/03/514551703.db2.gz ARELWDGITNKXTE-UHFFFAOYSA-N 1 2 374.916 2.732 20 30 FFEDLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CC1(C#N)CCC1 ZINC000450248926 514564198 /nfs/dbraw/zinc/56/41/98/514564198.db2.gz UUJHFNCGSFGIBH-MRXNPFEDSA-N 1 2 358.438 2.860 20 30 FFEDLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CC1(C#N)CCC1 ZINC000450248926 514564206 /nfs/dbraw/zinc/56/42/06/514564206.db2.gz UUJHFNCGSFGIBH-MRXNPFEDSA-N 1 2 358.438 2.860 20 30 FFEDLO CC(C)c1nc(N2CCC(Oc3ccc(C#N)cc3)CC2)nc(N(C)C)[nH+]1 ZINC000502355893 514624401 /nfs/dbraw/zinc/62/44/01/514624401.db2.gz CCVDESJOCZAECV-UHFFFAOYSA-N 1 2 366.469 2.980 20 30 FFEDLO CC(C)c1nc(N(C)C)nc(N2CCC(Oc3ccc(C#N)cc3)CC2)[nH+]1 ZINC000502355893 514624411 /nfs/dbraw/zinc/62/44/11/514624411.db2.gz CCVDESJOCZAECV-UHFFFAOYSA-N 1 2 366.469 2.980 20 30 FFEDLO Cc1ccc2nc(C)c(C(=O)N(CCC#N)CC[NH+]3CCOCC3)cc2c1 ZINC000502413056 514641235 /nfs/dbraw/zinc/64/12/35/514641235.db2.gz HEFGUIWZNIJKSG-UHFFFAOYSA-N 1 2 366.465 2.540 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1 ZINC000470936326 514682100 /nfs/dbraw/zinc/68/21/00/514682100.db2.gz ZMCMVOANSJOIFZ-UZLBHIALSA-N 1 2 371.481 2.831 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1 ZINC000470936326 514682110 /nfs/dbraw/zinc/68/21/10/514682110.db2.gz ZMCMVOANSJOIFZ-UZLBHIALSA-N 1 2 371.481 2.831 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000497921874 514683211 /nfs/dbraw/zinc/68/32/11/514683211.db2.gz QOEKUALRHDYCRO-INIZCTEOSA-N 1 2 366.889 2.844 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000502544840 514687453 /nfs/dbraw/zinc/68/74/53/514687453.db2.gz PZRYTEWMUJGWDN-UHFFFAOYSA-N 1 2 357.281 2.988 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000502544840 514687459 /nfs/dbraw/zinc/68/74/59/514687459.db2.gz PZRYTEWMUJGWDN-UHFFFAOYSA-N 1 2 357.281 2.988 20 30 FFEDLO C[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000461757056 514723718 /nfs/dbraw/zinc/72/37/18/514723718.db2.gz PWQFPXWIMBVRGS-UTKZUKDTSA-N 1 2 363.461 2.679 20 30 FFEDLO C[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000461757056 514723730 /nfs/dbraw/zinc/72/37/30/514723730.db2.gz PWQFPXWIMBVRGS-UTKZUKDTSA-N 1 2 363.461 2.679 20 30 FFEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000502822045 514793563 /nfs/dbraw/zinc/79/35/63/514793563.db2.gz ILKVKXHTBXACSH-CQSZACIVSA-N 1 2 371.300 2.720 20 30 FFEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000502822045 514793558 /nfs/dbraw/zinc/79/35/58/514793558.db2.gz ILKVKXHTBXACSH-CQSZACIVSA-N 1 2 371.300 2.720 20 30 FFEDLO C=CC[C@H](CC)NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000479996538 514803084 /nfs/dbraw/zinc/80/30/84/514803084.db2.gz YBSCQNKXFSXAIQ-SFHVURJKSA-N 1 2 361.486 2.552 20 30 FFEDLO Cc1cccc(N2CCN(C(=O)C[N@@H+](CCC#N)CCC(C)C)CC2)c1 ZINC000484898919 514835616 /nfs/dbraw/zinc/83/56/16/514835616.db2.gz NGDBOVFXHQDQEQ-UHFFFAOYSA-N 1 2 356.514 2.905 20 30 FFEDLO Cc1cccc(N2CCN(C(=O)C[N@H+](CCC#N)CCC(C)C)CC2)c1 ZINC000484898919 514835628 /nfs/dbraw/zinc/83/56/28/514835628.db2.gz NGDBOVFXHQDQEQ-UHFFFAOYSA-N 1 2 356.514 2.905 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000508800370 514897270 /nfs/dbraw/zinc/89/72/70/514897270.db2.gz DYULSHQGTNGJHY-UHFFFAOYSA-N 1 2 360.502 2.750 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1cc(C#N)ccc1F ZINC000476122881 514924582 /nfs/dbraw/zinc/92/45/82/514924582.db2.gz SLEIHHDSRWAPGQ-UHFFFAOYSA-N 1 2 358.323 2.950 20 30 FFEDLO C=CCn1c(CCc2ccco2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508886042 514938496 /nfs/dbraw/zinc/93/84/96/514938496.db2.gz WIDYDMVEGIRXJS-UHFFFAOYSA-N 1 2 367.453 2.758 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(N3CCc4ccccc43)CC2)cc1 ZINC000503380803 515016141 /nfs/dbraw/zinc/01/61/41/515016141.db2.gz WFGPGZZNSJLILZ-OAQYLSRUSA-N 1 2 360.461 2.612 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(Br)cc3c2OCC3)C1=O ZINC000467512631 515032387 /nfs/dbraw/zinc/03/23/87/515032387.db2.gz IZAKEXWDUVOCIF-OAHLLOKOSA-N 1 2 365.271 2.603 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(Br)cc3c2OCC3)C1=O ZINC000467512631 515032397 /nfs/dbraw/zinc/03/23/97/515032397.db2.gz IZAKEXWDUVOCIF-OAHLLOKOSA-N 1 2 365.271 2.603 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccnc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000476654725 515144234 /nfs/dbraw/zinc/14/42/34/515144234.db2.gz FPIPUIHPEWKXDE-FUHWJXTLSA-N 1 2 374.366 2.936 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccnc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000476654725 515144242 /nfs/dbraw/zinc/14/42/42/515144242.db2.gz FPIPUIHPEWKXDE-FUHWJXTLSA-N 1 2 374.366 2.936 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCN1CC(F)F ZINC000499243569 515252711 /nfs/dbraw/zinc/25/27/11/515252711.db2.gz LYAZYMYMGKGTGE-OAHLLOKOSA-N 1 2 361.396 2.770 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCN1CC(F)F ZINC000499243569 515252717 /nfs/dbraw/zinc/25/27/17/515252717.db2.gz LYAZYMYMGKGTGE-OAHLLOKOSA-N 1 2 361.396 2.770 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000481240698 515259859 /nfs/dbraw/zinc/25/98/59/515259859.db2.gz SDWJCARQUBSDGM-IIBYNOLFSA-N 1 2 365.481 2.673 20 30 FFEDLO N#Cc1ccc(NC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)cc1 ZINC000454161785 515279808 /nfs/dbraw/zinc/27/98/08/515279808.db2.gz FKOMIWMSGMNCNI-UHFFFAOYSA-N 1 2 354.410 2.518 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cc1 ZINC000472484378 515287647 /nfs/dbraw/zinc/28/76/47/515287647.db2.gz WRMDPJAHCAAEDL-LJQANCHMSA-N 1 2 355.401 2.947 20 30 FFEDLO Cc1[nH+]c2cc(NC(=O)COc3ccccc3C#N)ccc2n1[C@H](C)CO ZINC000456718815 515379980 /nfs/dbraw/zinc/37/99/80/515379980.db2.gz PYSSORHSZIYYIS-CYBMUJFWSA-N 1 2 364.405 2.787 20 30 FFEDLO Cc1[nH+]c2cc(NC(=O)COc3ccccc3C#N)ccc2n1[C@@H](C)CO ZINC000456718816 515381033 /nfs/dbraw/zinc/38/10/33/515381033.db2.gz PYSSORHSZIYYIS-ZDUSSCGKSA-N 1 2 364.405 2.787 20 30 FFEDLO COc1ccc(C[NH+]2CCN(C(=O)NCC(C)(C)CC#N)CC2)cc1F ZINC000459241784 515418792 /nfs/dbraw/zinc/41/87/92/515418792.db2.gz XRKRTYVKUKATPZ-UHFFFAOYSA-N 1 2 362.449 2.601 20 30 FFEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)N(C)CC(=O)Nc1ccc(C)cc1 ZINC000491366528 515419408 /nfs/dbraw/zinc/41/94/08/515419408.db2.gz ITHIANQEPZSOSQ-UHFFFAOYSA-N 1 2 369.465 2.716 20 30 FFEDLO C=CC[N@H+](CCc1ccco1)CC(=O)N(C)CC(=O)Nc1ccc(C)cc1 ZINC000491366528 515419418 /nfs/dbraw/zinc/41/94/18/515419418.db2.gz ITHIANQEPZSOSQ-UHFFFAOYSA-N 1 2 369.465 2.716 20 30 FFEDLO C=C(C)CS(=O)(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000477457061 515463608 /nfs/dbraw/zinc/46/36/08/515463608.db2.gz SUJADWKESJQUTF-QFBILLFUSA-N 1 2 365.543 2.828 20 30 FFEDLO C=C(C)CS(=O)(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000477457061 515463614 /nfs/dbraw/zinc/46/36/14/515463614.db2.gz SUJADWKESJQUTF-QFBILLFUSA-N 1 2 365.543 2.828 20 30 FFEDLO C=C(C)CS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000477492669 515477745 /nfs/dbraw/zinc/47/77/45/515477745.db2.gz FIPFZXYGBUTKTF-IAGOWNOFSA-N 1 2 358.454 2.984 20 30 FFEDLO C=C(C)CS(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000477492669 515477751 /nfs/dbraw/zinc/47/77/51/515477751.db2.gz FIPFZXYGBUTKTF-IAGOWNOFSA-N 1 2 358.454 2.984 20 30 FFEDLO CC(C)(C#N)CC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000456987681 515566959 /nfs/dbraw/zinc/56/69/59/515566959.db2.gz SWBXNPPPBIHSFC-UHFFFAOYSA-N 1 2 367.247 2.559 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000454599315 515599585 /nfs/dbraw/zinc/59/95/85/515599585.db2.gz DXUHGGGCXMLOFJ-MSOLQXFVSA-N 1 2 354.454 2.659 20 30 FFEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459513916 515610270 /nfs/dbraw/zinc/61/02/70/515610270.db2.gz CQVNELVWTITQJJ-UHFFFAOYSA-N 1 2 350.378 2.987 20 30 FFEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459513916 515610282 /nfs/dbraw/zinc/61/02/82/515610282.db2.gz CQVNELVWTITQJJ-UHFFFAOYSA-N 1 2 350.378 2.987 20 30 FFEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000505742729 515653622 /nfs/dbraw/zinc/65/36/22/515653622.db2.gz WGJRWHVJJZBNGL-FQEVSTJZSA-N 1 2 372.469 2.560 20 30 FFEDLO C[C@@H](C#N)S(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000510776650 515665108 /nfs/dbraw/zinc/66/51/08/515665108.db2.gz HZQVHKDTHNSUGS-KRWDZBQOSA-N 1 2 369.490 2.635 20 30 FFEDLO Cc1ccc2[nH+]c(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cn2c1 ZINC000505799172 515676888 /nfs/dbraw/zinc/67/68/88/515676888.db2.gz NGFSUHZBSWYULV-IBGZPJMESA-N 1 2 356.426 2.521 20 30 FFEDLO N#Cc1cccc(C2(NC(=O)NC3CCN(c4cccc[nH+]4)CC3)CC2)c1 ZINC000482732561 515784958 /nfs/dbraw/zinc/78/49/58/515784958.db2.gz BZZNAKJTXGXMTM-UHFFFAOYSA-N 1 2 361.449 2.911 20 30 FFEDLO COC(=O)c1ccc(Cl)c(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000511120443 515792094 /nfs/dbraw/zinc/79/20/94/515792094.db2.gz LFAGZJSOAKSOIQ-UHFFFAOYSA-N 1 2 370.840 2.715 20 30 FFEDLO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccn(C)n2)ccc1Cl ZINC000459799608 515812248 /nfs/dbraw/zinc/81/22/48/515812248.db2.gz VSMNVWBSRXYDGA-CQSZACIVSA-N 1 2 359.861 2.979 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000457392988 515845411 /nfs/dbraw/zinc/84/54/11/515845411.db2.gz VNFJGFNOOJCLEK-PMACEKPBSA-N 1 2 358.482 2.581 20 30 FFEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000482915648 515846586 /nfs/dbraw/zinc/84/65/86/515846586.db2.gz KDZBVGFNQPMHPW-KRWDZBQOSA-N 1 2 370.428 2.764 20 30 FFEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000482915648 515846593 /nfs/dbraw/zinc/84/65/93/515846593.db2.gz KDZBVGFNQPMHPW-KRWDZBQOSA-N 1 2 370.428 2.764 20 30 FFEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000506343037 515854335 /nfs/dbraw/zinc/85/43/35/515854335.db2.gz VWUDUTMIFYRJHP-CQSZACIVSA-N 1 2 368.462 2.802 20 30 FFEDLO N#Cc1cccc(F)c1CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000506646197 515942246 /nfs/dbraw/zinc/94/22/46/515942246.db2.gz BDDVZEMXOXQZEG-UHFFFAOYSA-N 1 2 352.413 2.942 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@H](CO)C3)o2)c1 ZINC000511669882 515992166 /nfs/dbraw/zinc/99/21/66/515992166.db2.gz YQQRWEPXTKLKEI-UONOGXRCSA-N 1 2 366.343 2.601 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@H](CO)C3)o2)c1 ZINC000511669882 515992175 /nfs/dbraw/zinc/99/21/75/515992175.db2.gz YQQRWEPXTKLKEI-UONOGXRCSA-N 1 2 366.343 2.601 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000483250875 516003975 /nfs/dbraw/zinc/00/39/75/516003975.db2.gz BYVMEPSKVLUGGW-RISCZKNCSA-N 1 2 358.269 2.625 20 30 FFEDLO COC(=O)[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000506904169 516018492 /nfs/dbraw/zinc/01/84/92/516018492.db2.gz JRFQAUOAIYIHJW-HXUWFJFHSA-N 1 2 367.424 2.729 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)NCC(C)(C)CC#N)[NH+]2CCOCC2)c1 ZINC000457668950 516054631 /nfs/dbraw/zinc/05/46/31/516054631.db2.gz AHMQHIUTZDFKQL-SFHVURJKSA-N 1 2 358.486 2.607 20 30 FFEDLO C=C[C@H]1CCCCN1C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000495244137 516117117 /nfs/dbraw/zinc/11/71/17/516117117.db2.gz QJENHWYCSFSVJZ-SFHVURJKSA-N 1 2 373.497 2.812 20 30 FFEDLO C=C[C@H]1CCCCN1C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000495244137 516117126 /nfs/dbraw/zinc/11/71/26/516117126.db2.gz QJENHWYCSFSVJZ-SFHVURJKSA-N 1 2 373.497 2.812 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507305545 516166029 /nfs/dbraw/zinc/16/60/29/516166029.db2.gz ODSRZIIHWMXLJR-ZHALLVOQSA-N 1 2 354.498 2.764 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCc1ccccc1F ZINC000512152319 516176142 /nfs/dbraw/zinc/17/61/42/516176142.db2.gz MLPUMTMTJPPNBZ-OAHLLOKOSA-N 1 2 360.429 2.994 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCc1ccccc1F ZINC000512152319 516176153 /nfs/dbraw/zinc/17/61/53/516176153.db2.gz MLPUMTMTJPPNBZ-OAHLLOKOSA-N 1 2 360.429 2.994 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000495484528 516178951 /nfs/dbraw/zinc/17/89/51/516178951.db2.gz KYFAQCSXJBEIIK-LJQANCHMSA-N 1 2 368.868 2.556 20 30 FFEDLO CCN1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000474748883 516180148 /nfs/dbraw/zinc/18/01/48/516180148.db2.gz LHMSCZKPZPWLLS-QZTJIDSGSA-N 1 2 366.469 2.843 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000512198694 516194714 /nfs/dbraw/zinc/19/47/14/516194714.db2.gz UHYGBEWJNCCBDM-OAHLLOKOSA-N 1 2 360.458 2.528 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000512198694 516194722 /nfs/dbraw/zinc/19/47/22/516194722.db2.gz UHYGBEWJNCCBDM-OAHLLOKOSA-N 1 2 360.458 2.528 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)Nc1cc(OC)cc(OC)c1)Cc1ccc(CO)o1 ZINC000512231547 516204341 /nfs/dbraw/zinc/20/43/41/516204341.db2.gz YFPFJUQECXIOHQ-UHFFFAOYSA-N 1 2 374.437 2.806 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)Nc1cc(OC)cc(OC)c1)Cc1ccc(CO)o1 ZINC000512231547 516204348 /nfs/dbraw/zinc/20/43/48/516204348.db2.gz YFPFJUQECXIOHQ-UHFFFAOYSA-N 1 2 374.437 2.806 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000512455184 516285077 /nfs/dbraw/zinc/28/50/77/516285077.db2.gz BAGZYFWHSKVGIN-HXUWFJFHSA-N 1 2 365.433 2.827 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000512455184 516285080 /nfs/dbraw/zinc/28/50/80/516285080.db2.gz BAGZYFWHSKVGIN-HXUWFJFHSA-N 1 2 365.433 2.827 20 30 FFEDLO Cc1cc(C#N)cnc1C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000550571716 516335331 /nfs/dbraw/zinc/33/53/31/516335331.db2.gz OVCFSQAZXBBQBA-OAHLLOKOSA-N 1 2 370.403 2.934 20 30 FFEDLO Cc1cc(C#N)cnc1C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000550571716 516335341 /nfs/dbraw/zinc/33/53/41/516335341.db2.gz OVCFSQAZXBBQBA-OAHLLOKOSA-N 1 2 370.403 2.934 20 30 FFEDLO Cn1cc(C[N@H+](CC(=O)NC2(C#N)CCC2)Cc2ccc(Cl)cc2)cn1 ZINC000554250440 516343397 /nfs/dbraw/zinc/34/33/97/516343397.db2.gz DARXKRMPHVEUAP-UHFFFAOYSA-N 1 2 371.872 2.638 20 30 FFEDLO Cn1cc(C[N@@H+](CC(=O)NC2(C#N)CCC2)Cc2ccc(Cl)cc2)cn1 ZINC000554250440 516343404 /nfs/dbraw/zinc/34/34/04/516343404.db2.gz DARXKRMPHVEUAP-UHFFFAOYSA-N 1 2 371.872 2.638 20 30 FFEDLO CC(C)(CCC#N)CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000554262145 516349087 /nfs/dbraw/zinc/34/90/87/516349087.db2.gz ZAAPKEYNZHIKIM-HNNXBMFYSA-N 1 2 364.515 2.751 20 30 FFEDLO N#Cc1c(Cl)cccc1N1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000513081523 516464703 /nfs/dbraw/zinc/46/47/03/516464703.db2.gz IXVOKOPDHQFPLK-SFHVURJKSA-N 1 2 354.841 2.560 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+]([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528487977 516473287 /nfs/dbraw/zinc/47/32/87/516473287.db2.gz BQGBZJUAOACOSA-SFHVURJKSA-N 1 2 352.482 2.872 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCN(c3ccccc3OC)CC2)c1C#N ZINC000535980463 516578940 /nfs/dbraw/zinc/57/89/40/516578940.db2.gz KFYCXVFWWFHMQL-UHFFFAOYSA-N 1 2 365.433 2.676 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN([C@H](C)C(=O)NC3CCCC3)CC2)cc1 ZINC000513421525 516616099 /nfs/dbraw/zinc/61/60/99/516616099.db2.gz XCVKCXGTZMZDEK-GOSISDBHSA-N 1 2 371.525 2.816 20 30 FFEDLO C=CCOc1ccc(CN2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)cc1 ZINC000513421525 516616105 /nfs/dbraw/zinc/61/61/05/516616105.db2.gz XCVKCXGTZMZDEK-GOSISDBHSA-N 1 2 371.525 2.816 20 30 FFEDLO C[C@H]1CC(F)(F)CC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000528772523 516685390 /nfs/dbraw/zinc/68/53/90/516685390.db2.gz YELGVZOTXAGTLZ-ZDUSSCGKSA-N 1 2 359.380 2.802 20 30 FFEDLO C[C@H]1CC(F)(F)CC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000528772523 516685399 /nfs/dbraw/zinc/68/53/99/516685399.db2.gz YELGVZOTXAGTLZ-ZDUSSCGKSA-N 1 2 359.380 2.802 20 30 FFEDLO CCOC(=O)CC(C)(C)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000558335288 516694058 /nfs/dbraw/zinc/69/40/58/516694058.db2.gz MHDAZNFAKIXVCN-UHFFFAOYSA-N 1 2 371.481 2.572 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000551526747 516745467 /nfs/dbraw/zinc/74/54/67/516745467.db2.gz VDRNIKULKLWCOE-IBGZPJMESA-N 1 2 350.422 2.744 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H](Nc3cc(NCC4CC4)[nH+]cn3)C2=O)cc1 ZINC000540940196 516788555 /nfs/dbraw/zinc/78/85/55/516788555.db2.gz FHUPFJFGDROGQS-KRWDZBQOSA-N 1 2 362.437 2.778 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H](Nc3cc(NCC4CC4)nc[nH+]3)C2=O)cc1 ZINC000540940196 516788563 /nfs/dbraw/zinc/78/85/63/516788563.db2.gz FHUPFJFGDROGQS-KRWDZBQOSA-N 1 2 362.437 2.778 20 30 FFEDLO COc1ccc(F)cc1C[NH+]1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000555128380 516793883 /nfs/dbraw/zinc/79/38/83/516793883.db2.gz HUMWGJZFKWPSCS-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO Cn1cc(C[NH+]2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)cn1 ZINC000519288021 516947242 /nfs/dbraw/zinc/94/72/42/516947242.db2.gz UZVBDFXJRDKKMY-UHFFFAOYSA-N 1 2 366.469 2.571 20 30 FFEDLO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3csc(C4CC4)n3)C2=O)cc1 ZINC000555517490 516951715 /nfs/dbraw/zinc/95/17/15/516951715.db2.gz YYODOMFNPHBTCB-KRWDZBQOSA-N 1 2 352.463 2.783 20 30 FFEDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cccc(C#N)n3)CC2)c(C)c1 ZINC000544877490 516970772 /nfs/dbraw/zinc/97/07/72/516970772.db2.gz PXQFIAMBWBVSRO-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[NH+]2CC(c3nc4ccccc4s3)C2)c1 ZINC000536928275 516983439 /nfs/dbraw/zinc/98/34/39/516983439.db2.gz MEGCXCYWXSNNSH-UHFFFAOYSA-N 1 2 362.458 2.884 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000558903116 516994725 /nfs/dbraw/zinc/99/47/25/516994725.db2.gz XLDOTLAHAMTCQG-FQEVSTJZSA-N 1 2 350.422 2.513 20 30 FFEDLO C=CC[N@H+](CC(=O)NCC(=O)c1cccs1)Cc1cccc(C#N)c1 ZINC000532487258 517002994 /nfs/dbraw/zinc/00/29/94/517002994.db2.gz HJNCMKOCPSCQNC-UHFFFAOYSA-N 1 2 353.447 2.607 20 30 FFEDLO C=CC[N@@H+](CC(=O)NCC(=O)c1cccs1)Cc1cccc(C#N)c1 ZINC000532487258 517003002 /nfs/dbraw/zinc/00/30/02/517003002.db2.gz HJNCMKOCPSCQNC-UHFFFAOYSA-N 1 2 353.447 2.607 20 30 FFEDLO C=C(C)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1ccc(F)c(F)c1 ZINC000548478528 517008839 /nfs/dbraw/zinc/00/88/39/517008839.db2.gz OEKGSZLTHCWVLL-QGZVFWFLSA-N 1 2 355.348 2.988 20 30 FFEDLO Cn1c2ccc(CNS(=O)(=O)CC3(CC#N)CC3)cc2[nH+]c1C1CC1 ZINC000514711572 517016642 /nfs/dbraw/zinc/01/66/42/517016642.db2.gz ARUFKMFLGIXBJH-UHFFFAOYSA-N 1 2 358.467 2.564 20 30 FFEDLO COc1c(C)[nH+]c(C2CC2)nc1N1CCN(c2snc(C)c2C#N)CC1 ZINC000519654867 517106692 /nfs/dbraw/zinc/10/66/92/517106692.db2.gz URPWQXZPBCZEAG-UHFFFAOYSA-N 1 2 370.482 2.634 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000541685818 517172198 /nfs/dbraw/zinc/17/21/98/517172198.db2.gz AOJXRZFJEZPMIB-GXTWGEPZSA-N 1 2 373.432 2.843 20 30 FFEDLO CC[N@H+](CC1=Nc2ccccc2S(=O)(=O)N1)[C@H](C)c1ccc(C#N)cc1 ZINC000532927114 517206581 /nfs/dbraw/zinc/20/65/81/517206581.db2.gz VCQSFUIBMDARTP-CQSZACIVSA-N 1 2 368.462 2.963 20 30 FFEDLO CC[N@@H+](CC1=Nc2ccccc2S(=O)(=O)N1)[C@H](C)c1ccc(C#N)cc1 ZINC000532927114 517206586 /nfs/dbraw/zinc/20/65/86/517206586.db2.gz VCQSFUIBMDARTP-CQSZACIVSA-N 1 2 368.462 2.963 20 30 FFEDLO C=C1CC[NH+](CC(=O)Nc2ccc(I)cc2)CC1 ZINC000532960477 517223265 /nfs/dbraw/zinc/22/32/65/517223265.db2.gz RZPCQRVODFZRNW-UHFFFAOYSA-N 1 2 356.207 2.882 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000519867204 517228787 /nfs/dbraw/zinc/22/87/87/517228787.db2.gz GEGLFMQEBIOLCF-OAGGEKHMSA-N 1 2 353.413 2.600 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC(CC#N)CC1)c1ccccc1F ZINC000541964442 517312999 /nfs/dbraw/zinc/31/29/99/517312999.db2.gz IANQBFSMBBRIAC-KRWDZBQOSA-N 1 2 355.417 2.984 20 30 FFEDLO N#Cc1ccc(OCC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000542165891 517416758 /nfs/dbraw/zinc/41/67/58/517416758.db2.gz NQEXDQVYUTWBMH-UHFFFAOYSA-N 1 2 352.438 2.853 20 30 FFEDLO C=C(C)Cn1c(CC)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000549262254 517483510 /nfs/dbraw/zinc/48/35/10/517483510.db2.gz KAQSZCSQTATCBQ-UHFFFAOYSA-N 1 2 373.476 2.887 20 30 FFEDLO CCOC(=O)[C@@H](Cc1ccccc1)N(C)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000556599978 517511504 /nfs/dbraw/zinc/51/15/04/517511504.db2.gz FEGOMZBQHBMYBQ-LJQANCHMSA-N 1 2 362.433 2.812 20 30 FFEDLO C=C(C)Cn1c(CC2CCCCC2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000549331580 517516431 /nfs/dbraw/zinc/51/64/31/517516431.db2.gz LESWVCNBGNPLQB-UHFFFAOYSA-N 1 2 361.534 2.745 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(OC(F)(F)F)cc1 ZINC000533548561 517518927 /nfs/dbraw/zinc/51/89/27/517518927.db2.gz WMHITMOCCQNJKF-SWLSCSKDSA-N 1 2 364.327 2.725 20 30 FFEDLO C=CCOc1cccnc1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000538249627 517523908 /nfs/dbraw/zinc/52/39/08/517523908.db2.gz WLSJYRBHDIJNCC-UHFFFAOYSA-N 1 2 362.433 2.864 20 30 FFEDLO CC(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1[nH]cc[nH+]1 ZINC000549353786 517524832 /nfs/dbraw/zinc/52/48/32/517524832.db2.gz OZWCWSDZAFCYLT-MRXNPFEDSA-N 1 2 374.466 2.614 20 30 FFEDLO COc1ccc(C(=O)CC(C)(C)CC(=O)NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000546085130 517534117 /nfs/dbraw/zinc/53/41/17/517534117.db2.gz GAYHVUWYIMIQJB-UHFFFAOYSA-N 1 2 371.481 2.788 20 30 FFEDLO N#Cc1cc(N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)ncn1 ZINC000553244056 517598320 /nfs/dbraw/zinc/59/83/20/517598320.db2.gz LDOBRICBELTIQB-UHFFFAOYSA-N 1 2 373.214 2.607 20 30 FFEDLO CC[C@@H](CO)[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000542516352 517605154 /nfs/dbraw/zinc/60/51/54/517605154.db2.gz GJUOVYKHIPHQFV-IBGZPJMESA-N 1 2 372.490 2.605 20 30 FFEDLO CC[C@@H](CO)[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000542516352 517605166 /nfs/dbraw/zinc/60/51/66/517605166.db2.gz GJUOVYKHIPHQFV-IBGZPJMESA-N 1 2 372.490 2.605 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cc(F)ccc2-c2ccoc2)c1C#N ZINC000527475574 517697881 /nfs/dbraw/zinc/69/78/81/517697881.db2.gz MDXGNRLZFRBWGT-UHFFFAOYSA-N 1 2 367.384 2.507 20 30 FFEDLO Cc1onc(CC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1C#N ZINC000542786131 517739969 /nfs/dbraw/zinc/73/99/69/517739969.db2.gz YXXOUZRHBQLHFD-IBGZPJMESA-N 1 2 363.421 2.768 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000550044019 517833565 /nfs/dbraw/zinc/83/35/65/517833565.db2.gz DQFPWVVYQJLFNI-WMLDXEAASA-N 1 2 365.905 2.920 20 30 FFEDLO COC(=O)c1cccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)c1C#N ZINC000534314845 517846622 /nfs/dbraw/zinc/84/66/22/517846622.db2.gz DQLNMLHBIGEQGZ-UHFFFAOYSA-N 1 2 367.424 2.802 20 30 FFEDLO C[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc(Br)o1 ZINC000521820952 517859419 /nfs/dbraw/zinc/85/94/19/517859419.db2.gz IBEMGVXDVNHLTG-UHFFFAOYSA-N 1 2 362.227 2.662 20 30 FFEDLO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc(Br)o1 ZINC000521820952 517859426 /nfs/dbraw/zinc/85/94/26/517859426.db2.gz IBEMGVXDVNHLTG-UHFFFAOYSA-N 1 2 362.227 2.662 20 30 FFEDLO Cc1cc(Br)cn2cc(CNC(=O)c3cc(C#N)cn3C)[nH+]c12 ZINC000546822634 517875422 /nfs/dbraw/zinc/87/54/22/517875422.db2.gz BYXMCVAIBSRQIE-UHFFFAOYSA-N 1 2 372.226 2.545 20 30 FFEDLO CC#CC[N@@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000550141113 517886493 /nfs/dbraw/zinc/88/64/93/517886493.db2.gz OUYIMNXSRTZLCR-UHFFFAOYSA-N 1 2 359.451 2.721 20 30 FFEDLO CC#CC[N@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000550141113 517886499 /nfs/dbraw/zinc/88/64/99/517886499.db2.gz OUYIMNXSRTZLCR-UHFFFAOYSA-N 1 2 359.451 2.721 20 30 FFEDLO CCc1[nH+]c2cc(CNS(=O)(=O)c3ccc(C#N)o3)ccc2n1C1CC1 ZINC000553881200 517950641 /nfs/dbraw/zinc/95/06/41/517950641.db2.gz MUTFVOZGKZUDJB-UHFFFAOYSA-N 1 2 370.434 2.877 20 30 FFEDLO CC[C@@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000560706665 517979845 /nfs/dbraw/zinc/97/98/45/517979845.db2.gz MGZUWDPXHOQTQQ-LPHOPBHVSA-N 1 2 356.470 2.960 20 30 FFEDLO CC[C@@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000560706665 517979852 /nfs/dbraw/zinc/97/98/52/517979852.db2.gz MGZUWDPXHOQTQQ-LPHOPBHVSA-N 1 2 356.470 2.960 20 30 FFEDLO CC[C@@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000560706663 517980267 /nfs/dbraw/zinc/98/02/67/517980267.db2.gz MGZUWDPXHOQTQQ-APWZRJJASA-N 1 2 356.470 2.960 20 30 FFEDLO CC[C@@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000560706663 517980275 /nfs/dbraw/zinc/98/02/75/517980275.db2.gz MGZUWDPXHOQTQQ-APWZRJJASA-N 1 2 356.470 2.960 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000539318525 517990785 /nfs/dbraw/zinc/99/07/85/517990785.db2.gz NOLQHXGDOAHDMN-UHFFFAOYSA-N 1 2 372.803 2.698 20 30 FFEDLO COC(=O)[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)C ZINC000547298888 518065420 /nfs/dbraw/zinc/06/54/20/518065420.db2.gz LGCMSWLSMNYVFW-MRXNPFEDSA-N 1 2 363.483 2.614 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC000528090083 518083856 /nfs/dbraw/zinc/08/38/56/518083856.db2.gz XXJNWIZNRQMBFP-AQNXPRMDSA-N 1 2 352.482 2.822 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)s1 ZINC000517247445 518089992 /nfs/dbraw/zinc/08/99/92/518089992.db2.gz VLMZOGBNZPNYMI-AWEZNQCLSA-N 1 2 367.883 2.608 20 30 FFEDLO C[NH+](C)[C@H](CNC(=O)COc1ccc(C#N)cc1)c1c(F)cccc1F ZINC000522384898 518093441 /nfs/dbraw/zinc/09/34/41/518093441.db2.gz ZHBOHNQJNCAYNT-QGZVFWFLSA-N 1 2 359.376 2.634 20 30 FFEDLO COc1cc2c(cc1F)C[N@@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000539737295 518152273 /nfs/dbraw/zinc/15/22/73/518152273.db2.gz IQPMJEMMYWSNCH-IBGZPJMESA-N 1 2 365.408 2.870 20 30 FFEDLO COc1cc2c(cc1F)C[N@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000539737295 518152276 /nfs/dbraw/zinc/15/22/76/518152276.db2.gz IQPMJEMMYWSNCH-IBGZPJMESA-N 1 2 365.408 2.870 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)nc1 ZINC000566819978 518217399 /nfs/dbraw/zinc/21/73/99/518217399.db2.gz IPEWCEJKUHWFCB-RQMBKDMJSA-N 1 2 367.474 2.905 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2/C=C/c2ccccc2)nc1 ZINC000566819978 518217405 /nfs/dbraw/zinc/21/74/05/518217405.db2.gz IPEWCEJKUHWFCB-RQMBKDMJSA-N 1 2 367.474 2.905 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)c(F)c1 ZINC000578460544 518220622 /nfs/dbraw/zinc/22/06/22/518220622.db2.gz QZGFNPJBSXEJGA-OAHLLOKOSA-N 1 2 368.412 2.526 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(CN2CCc3ccccc32)cc1 ZINC000566851227 518233112 /nfs/dbraw/zinc/23/31/12/518233112.db2.gz QJVXOXDRTIRWEK-NRFANRHFSA-N 1 2 364.493 2.868 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(CN2CCc3ccccc32)cc1 ZINC000566851227 518233117 /nfs/dbraw/zinc/23/31/17/518233117.db2.gz QJVXOXDRTIRWEK-NRFANRHFSA-N 1 2 364.493 2.868 20 30 FFEDLO Cc1cccn2cc(-c3ccc(NC(=O)C(=O)NCCCC#N)cc3)[nH+]c12 ZINC000566938174 518274186 /nfs/dbraw/zinc/27/41/86/518274186.db2.gz PSUSKODWKLAIMF-UHFFFAOYSA-N 1 2 361.405 2.668 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000575821032 518294646 /nfs/dbraw/zinc/29/46/46/518294646.db2.gz ATXDNIAFYXLLMB-UHFFFAOYSA-N 1 2 368.868 2.650 20 30 FFEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000564085297 518300285 /nfs/dbraw/zinc/30/02/85/518300285.db2.gz DKYWUXTZDRKVBG-GOSISDBHSA-N 1 2 367.453 2.601 20 30 FFEDLO N#Cc1cnn2cc(C[N@@H+]3CCO[C@@H](c4ccc(Cl)cc4)C3)cnc12 ZINC000581489219 518311812 /nfs/dbraw/zinc/31/18/12/518311812.db2.gz QTCBERYQRBFSML-QGZVFWFLSA-N 1 2 353.813 2.828 20 30 FFEDLO N#Cc1cnn2cc(C[N@H+]3CCO[C@@H](c4ccc(Cl)cc4)C3)cnc12 ZINC000581489219 518311816 /nfs/dbraw/zinc/31/18/16/518311816.db2.gz QTCBERYQRBFSML-QGZVFWFLSA-N 1 2 353.813 2.828 20 30 FFEDLO CN(c1cccc(C#N)c1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000584448956 518346203 /nfs/dbraw/zinc/34/62/03/518346203.db2.gz GWBGPUWVYMPAJA-UHFFFAOYSA-N 1 2 352.419 2.628 20 30 FFEDLO C=CC(C)(C)CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000584454436 518349945 /nfs/dbraw/zinc/34/99/45/518349945.db2.gz DVFYAPRVVSDBLG-HNNXBMFYSA-N 1 2 350.532 2.548 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCc2ccc(F)cc2)C2CC2)nc1 ZINC000572797345 518364722 /nfs/dbraw/zinc/36/47/22/518364722.db2.gz RJMLKIJVYSSDQI-UHFFFAOYSA-N 1 2 373.453 2.573 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](CCc2ccc(F)cc2)C2CC2)nc1 ZINC000572797345 518364724 /nfs/dbraw/zinc/36/47/24/518364724.db2.gz RJMLKIJVYSSDQI-UHFFFAOYSA-N 1 2 373.453 2.573 20 30 FFEDLO C[N@H+](CCCCc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000570077086 518429604 /nfs/dbraw/zinc/42/96/04/518429604.db2.gz VLSMEAJTRNUIOT-UHFFFAOYSA-N 1 2 357.479 2.682 20 30 FFEDLO C[N@@H+](CCCCc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000570077086 518429607 /nfs/dbraw/zinc/42/96/07/518429607.db2.gz VLSMEAJTRNUIOT-UHFFFAOYSA-N 1 2 357.479 2.682 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000564534572 518490800 /nfs/dbraw/zinc/49/08/00/518490800.db2.gz ACUCUZHZFBQETP-BDXSIMOUSA-N 1 2 365.424 2.743 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000564534572 518490806 /nfs/dbraw/zinc/49/08/06/518490806.db2.gz ACUCUZHZFBQETP-BDXSIMOUSA-N 1 2 365.424 2.743 20 30 FFEDLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000570234155 518508000 /nfs/dbraw/zinc/50/80/00/518508000.db2.gz LAZBJZAQGPTYQC-QGZVFWFLSA-N 1 2 370.409 2.831 20 30 FFEDLO N#Cc1ncc(NC(=O)c2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC000564639321 518538201 /nfs/dbraw/zinc/53/82/01/518538201.db2.gz CBFXSCPYEBUOSY-UHFFFAOYSA-N 1 2 356.813 2.691 20 30 FFEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000564734514 518588937 /nfs/dbraw/zinc/58/89/37/518588937.db2.gz FSEWYUPCCYKJRJ-CMPLNLGQSA-N 1 2 371.222 2.900 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)C1=O ZINC000576442498 518593501 /nfs/dbraw/zinc/59/35/01/518593501.db2.gz OBRPZUOJOIQMDV-KRWDZBQOSA-N 1 2 365.458 2.978 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2Cc3ccc(O)cc3C3(CC3)C2)C1=O ZINC000576442498 518593507 /nfs/dbraw/zinc/59/35/07/518593507.db2.gz OBRPZUOJOIQMDV-KRWDZBQOSA-N 1 2 365.458 2.978 20 30 FFEDLO COC(=O)c1ccc(NCc2[nH+]ccn2CCc2ccccc2)c(C#N)n1 ZINC000579292927 518610287 /nfs/dbraw/zinc/61/02/87/518610287.db2.gz GREQVXGQFWRUNL-UHFFFAOYSA-N 1 2 361.405 2.791 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000570455401 518615410 /nfs/dbraw/zinc/61/54/10/518615410.db2.gz OWFRWUVMTSKELP-OAQYLSRUSA-N 1 2 362.433 2.711 20 30 FFEDLO N#Cc1cn(Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc2c1=O ZINC000567622925 518618609 /nfs/dbraw/zinc/61/86/09/518618609.db2.gz KWXPVAMVLGCXSS-UHFFFAOYSA-N 1 2 359.429 2.754 20 30 FFEDLO Cc1cc(C[NH+]2CCN(C(=O)CC#N)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000582494974 518781947 /nfs/dbraw/zinc/78/19/47/518781947.db2.gz RFLDCVAFXBQNKX-UHFFFAOYSA-N 1 2 369.856 2.663 20 30 FFEDLO CCCCNc1cc(N(C)CCOCc2ccc(C#N)cc2)nc(N)[nH+]1 ZINC000588858824 518851030 /nfs/dbraw/zinc/85/10/30/518851030.db2.gz NAMZIFNFJVEZOD-UHFFFAOYSA-N 1 2 354.458 2.626 20 30 FFEDLO CCCCNc1cc(N(C)CCOCc2ccc(C#N)cc2)[nH+]c(N)n1 ZINC000588858824 518851032 /nfs/dbraw/zinc/85/10/32/518851032.db2.gz NAMZIFNFJVEZOD-UHFFFAOYSA-N 1 2 354.458 2.626 20 30 FFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000579811290 518864962 /nfs/dbraw/zinc/86/49/62/518864962.db2.gz LVVJPRPXBFSWMS-WOJBJXKFSA-N 1 2 353.466 2.695 20 30 FFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000579811290 518864967 /nfs/dbraw/zinc/86/49/67/518864967.db2.gz LVVJPRPXBFSWMS-WOJBJXKFSA-N 1 2 353.466 2.695 20 30 FFEDLO CC(C)c1ccc(-c2noc(CCC(=O)N[C@](C)(C#N)C[NH+](C)C)n2)cc1 ZINC000565457087 518962521 /nfs/dbraw/zinc/96/25/21/518962521.db2.gz JNAHUQRGDWDRRQ-HXUWFJFHSA-N 1 2 369.469 2.753 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000565510355 518990795 /nfs/dbraw/zinc/99/07/95/518990795.db2.gz VQMFCFKVYYKNDT-UHFFFAOYSA-N 1 2 369.377 2.748 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000565510355 518990807 /nfs/dbraw/zinc/99/08/07/518990807.db2.gz VQMFCFKVYYKNDT-UHFFFAOYSA-N 1 2 369.377 2.748 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cccc(C#N)n2)[C@H](C)C1 ZINC000589513741 519021508 /nfs/dbraw/zinc/02/15/08/519021508.db2.gz ZZSBDMGYHZMLHR-MRXNPFEDSA-N 1 2 364.449 2.698 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cccc(C#N)n2)[C@H](C)C1 ZINC000589513741 519021511 /nfs/dbraw/zinc/02/15/11/519021511.db2.gz ZZSBDMGYHZMLHR-MRXNPFEDSA-N 1 2 364.449 2.698 20 30 FFEDLO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1OCC(=O)N(C)C ZINC000583053729 519053507 /nfs/dbraw/zinc/05/35/07/519053507.db2.gz SEXQNOVZRJLOER-OAHLLOKOSA-N 1 2 358.467 2.723 20 30 FFEDLO N#CCCCCCC(=O)N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000589844705 519091907 /nfs/dbraw/zinc/09/19/07/519091907.db2.gz WEYKHEXXAMTNFB-GOSISDBHSA-N 1 2 363.889 2.992 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000590037666 519134292 /nfs/dbraw/zinc/13/42/92/519134292.db2.gz ANPOYECWCFCGDQ-UHFFFAOYSA-N 1 2 357.479 2.610 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000590037666 519134295 /nfs/dbraw/zinc/13/42/95/519134295.db2.gz ANPOYECWCFCGDQ-UHFFFAOYSA-N 1 2 357.479 2.610 20 30 FFEDLO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1cccc(CC#N)c1 ZINC000590089662 519146244 /nfs/dbraw/zinc/14/62/44/519146244.db2.gz PVQSSFGRJFECAB-SFHVURJKSA-N 1 2 366.446 2.886 20 30 FFEDLO N#Cc1c2c(cnc1NC[C@H](c1cccs1)[NH+]1CCOCC1)CCC2 ZINC000571553751 519154830 /nfs/dbraw/zinc/15/48/30/519154830.db2.gz PIBOWOMIQQLCAS-QGZVFWFLSA-N 1 2 354.479 2.989 20 30 FFEDLO CC(C)(C#N)CCS(=O)(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000571602995 519175389 /nfs/dbraw/zinc/17/53/89/519175389.db2.gz RKQSMUNWSHMJDR-UHFFFAOYSA-N 1 2 374.510 2.875 20 30 FFEDLO N#CCCC1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000568755846 519198697 /nfs/dbraw/zinc/19/86/97/519198697.db2.gz AHGCXDGVYHLAMC-UHFFFAOYSA-N 1 2 358.442 2.947 20 30 FFEDLO CC(C)(CO)[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccnc1 ZINC000590600386 519284233 /nfs/dbraw/zinc/28/42/33/519284233.db2.gz LVYSIBQSRDICAF-SFHVURJKSA-N 1 2 363.421 2.853 20 30 FFEDLO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)s1 ZINC000568986924 519318829 /nfs/dbraw/zinc/31/88/29/519318829.db2.gz HXIXAIYXUGAMAS-IBGZPJMESA-N 1 2 356.495 2.930 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)c(C(F)(F)F)c1 ZINC000580923643 519427048 /nfs/dbraw/zinc/42/70/48/519427048.db2.gz SRZBNLJEXVOROO-AWEZNQCLSA-N 1 2 352.360 2.613 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)c(C(F)(F)F)c1 ZINC000580923643 519427053 /nfs/dbraw/zinc/42/70/53/519427053.db2.gz SRZBNLJEXVOROO-AWEZNQCLSA-N 1 2 352.360 2.613 20 30 FFEDLO C[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000575049877 519472740 /nfs/dbraw/zinc/47/27/40/519472740.db2.gz SCXYYBRCBGZPDE-IAQYHMDHSA-N 1 2 370.316 2.890 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CCCC1(C)C ZINC000572200176 519490785 /nfs/dbraw/zinc/49/07/85/519490785.db2.gz LSHLZAULTGECRM-SJORKVTESA-N 1 2 372.513 2.778 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)c1C#N ZINC000591056127 519493916 /nfs/dbraw/zinc/49/39/16/519493916.db2.gz MUXXSWMOPAFRGG-MRXNPFEDSA-N 1 2 351.454 2.541 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)c1C#N ZINC000591056127 519493921 /nfs/dbraw/zinc/49/39/21/519493921.db2.gz MUXXSWMOPAFRGG-MRXNPFEDSA-N 1 2 351.454 2.541 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858408 519930559 /nfs/dbraw/zinc/93/05/59/519930559.db2.gz AVTKSCWKRYIVSH-ULQDDVLXSA-N 1 2 360.527 2.569 20 30 FFEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000602860727 519934019 /nfs/dbraw/zinc/93/40/19/519934019.db2.gz DQTILEYHXQUBMH-LBPRGKRZSA-N 1 2 373.844 2.773 20 30 FFEDLO C[C@H](C(=O)Nc1nccs1)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602893748 519955562 /nfs/dbraw/zinc/95/55/62/519955562.db2.gz FXYDNBDRFJYATF-CYBMUJFWSA-N 1 2 355.467 2.918 20 30 FFEDLO C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)[C@H]1CCC[C@@H]1C#N ZINC000602976360 520003228 /nfs/dbraw/zinc/00/32/28/520003228.db2.gz OMRWAYMWCCNMJV-FGTMMUONSA-N 1 2 369.465 2.745 20 30 FFEDLO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)[C@H]1CCC[C@@H]1C#N ZINC000602976360 520003237 /nfs/dbraw/zinc/00/32/37/520003237.db2.gz OMRWAYMWCCNMJV-FGTMMUONSA-N 1 2 369.465 2.745 20 30 FFEDLO C[N@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602980504 520004816 /nfs/dbraw/zinc/00/48/16/520004816.db2.gz QSUTUKBMQOUYME-UYAOXDASSA-N 1 2 355.482 2.818 20 30 FFEDLO C[N@@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602980504 520004828 /nfs/dbraw/zinc/00/48/28/520004828.db2.gz QSUTUKBMQOUYME-UYAOXDASSA-N 1 2 355.482 2.818 20 30 FFEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000603018570 520024317 /nfs/dbraw/zinc/02/43/17/520024317.db2.gz JZKKLEDSMMQAQH-UHFFFAOYSA-N 1 2 369.490 2.693 20 30 FFEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000603018570 520024323 /nfs/dbraw/zinc/02/43/23/520024323.db2.gz JZKKLEDSMMQAQH-UHFFFAOYSA-N 1 2 369.490 2.693 20 30 FFEDLO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2cc(C#N)ccc2C)n1 ZINC000594582645 520037018 /nfs/dbraw/zinc/03/70/18/520037018.db2.gz QMUOFSZDEUFRRZ-UHFFFAOYSA-N 1 2 364.496 2.966 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H](O)C(F)(F)F ZINC000594615079 520056441 /nfs/dbraw/zinc/05/64/41/520056441.db2.gz OXNHSCNQEHRULH-ZDUSSCGKSA-N 1 2 370.293 2.949 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H](O)C(F)(F)F ZINC000594615079 520056445 /nfs/dbraw/zinc/05/64/45/520056445.db2.gz OXNHSCNQEHRULH-ZDUSSCGKSA-N 1 2 370.293 2.949 20 30 FFEDLO CCCOc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H](CC#N)C3)C2=O)cc1 ZINC000594661143 520072401 /nfs/dbraw/zinc/07/24/01/520072401.db2.gz VVXBZFUYAFCYKW-YJBOKZPZSA-N 1 2 355.438 2.733 20 30 FFEDLO CCCOc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@@H](CC#N)C3)C2=O)cc1 ZINC000594661143 520072404 /nfs/dbraw/zinc/07/24/04/520072404.db2.gz VVXBZFUYAFCYKW-YJBOKZPZSA-N 1 2 355.438 2.733 20 30 FFEDLO Cc1ccc(CC2C[NH+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 ZINC000594733542 520121668 /nfs/dbraw/zinc/12/16/68/520121668.db2.gz XOIKJCZZNCSLST-UHFFFAOYSA-N 1 2 354.475 2.815 20 30 FFEDLO COCc1cc(C#N)ccc1NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000603284504 520196438 /nfs/dbraw/zinc/19/64/38/520196438.db2.gz ROLYRARPSUXOKB-OAHLLOKOSA-N 1 2 352.438 2.937 20 30 FFEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000603301137 520204922 /nfs/dbraw/zinc/20/49/22/520204922.db2.gz AKZGNUDKIIIXDP-IBGZPJMESA-N 1 2 369.490 2.998 20 30 FFEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000603301137 520204932 /nfs/dbraw/zinc/20/49/32/520204932.db2.gz AKZGNUDKIIIXDP-IBGZPJMESA-N 1 2 369.490 2.998 20 30 FFEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000603301472 520205169 /nfs/dbraw/zinc/20/51/69/520205169.db2.gz CHODCEPAQQEAFJ-UHFFFAOYSA-N 1 2 367.474 2.514 20 30 FFEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000603301472 520205174 /nfs/dbraw/zinc/20/51/74/520205174.db2.gz CHODCEPAQQEAFJ-UHFFFAOYSA-N 1 2 367.474 2.514 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000592142333 520218590 /nfs/dbraw/zinc/21/85/90/520218590.db2.gz RKRHDCFIPPFLOE-FQEVSTJZSA-N 1 2 361.445 2.772 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000592142333 520218600 /nfs/dbraw/zinc/21/86/00/520218600.db2.gz RKRHDCFIPPFLOE-FQEVSTJZSA-N 1 2 361.445 2.772 20 30 FFEDLO Cc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c2cccs2)cc1 ZINC000592146702 520223958 /nfs/dbraw/zinc/22/39/58/520223958.db2.gz FHELNHUHLBDJNP-VQTJNVASSA-N 1 2 369.490 2.613 20 30 FFEDLO Cc1ccc([C@H](NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c2cccs2)cc1 ZINC000592146702 520223967 /nfs/dbraw/zinc/22/39/67/520223967.db2.gz FHELNHUHLBDJNP-VQTJNVASSA-N 1 2 369.490 2.613 20 30 FFEDLO COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592147397 520224617 /nfs/dbraw/zinc/22/46/17/520224617.db2.gz LKFPYJUXYWENJG-TZIWHRDSSA-N 1 2 365.433 2.725 20 30 FFEDLO COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592147397 520224623 /nfs/dbraw/zinc/22/46/23/520224623.db2.gz LKFPYJUXYWENJG-TZIWHRDSSA-N 1 2 365.433 2.725 20 30 FFEDLO Cc1cc(NCCNC(=O)C[C@H](CC#N)c2ccccc2)nc(C(C)C)[nH+]1 ZINC000600363892 520225123 /nfs/dbraw/zinc/22/51/23/520225123.db2.gz CTVJRIMSYGACON-SFHVURJKSA-N 1 2 365.481 2.946 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000592149828 520225438 /nfs/dbraw/zinc/22/54/38/520225438.db2.gz XKDAVSZKTAGKFD-CQSZACIVSA-N 1 2 361.751 2.648 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000592149828 520225445 /nfs/dbraw/zinc/22/54/45/520225445.db2.gz XKDAVSZKTAGKFD-CQSZACIVSA-N 1 2 361.751 2.648 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N[C@@H](C)c2ccccc2Cl)CC1 ZINC000609484831 520328868 /nfs/dbraw/zinc/32/88/68/520328868.db2.gz FZFTVVIXDWKSRA-MAUKXSAKSA-N 1 2 362.905 2.683 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000597934787 520335741 /nfs/dbraw/zinc/33/57/41/520335741.db2.gz ONLWQTUNXUPELC-UHFFFAOYSA-N 1 2 365.462 2.627 20 30 FFEDLO N#C[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000609514775 520339849 /nfs/dbraw/zinc/33/98/49/520339849.db2.gz JILMNIXNTFLOES-LJQANCHMSA-N 1 2 353.397 2.653 20 30 FFEDLO N#Cc1ccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)cn1 ZINC000609643906 520393083 /nfs/dbraw/zinc/39/30/83/520393083.db2.gz GLKNDJVXAQRJDA-UHFFFAOYSA-N 1 2 371.404 2.842 20 30 FFEDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1C[C@H]1CNc2c(C#N)cnn2C1 ZINC000592500975 520423280 /nfs/dbraw/zinc/42/32/80/520423280.db2.gz FBFSAFPKWKDTQM-HBUWYVDXSA-N 1 2 371.872 2.912 20 30 FFEDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1C[C@H]1CNc2c(C#N)cnn2C1 ZINC000592500975 520423284 /nfs/dbraw/zinc/42/32/84/520423284.db2.gz FBFSAFPKWKDTQM-HBUWYVDXSA-N 1 2 371.872 2.912 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000592522108 520437284 /nfs/dbraw/zinc/43/72/84/520437284.db2.gz HUPRPEVIKXOCDA-SJLPKXTDSA-N 1 2 350.846 2.748 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000592522108 520437293 /nfs/dbraw/zinc/43/72/93/520437293.db2.gz HUPRPEVIKXOCDA-SJLPKXTDSA-N 1 2 350.846 2.748 20 30 FFEDLO CN(C)c1ccc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cn1 ZINC000595432335 520468825 /nfs/dbraw/zinc/46/88/25/520468825.db2.gz ZTQKHDVSWWSCSX-LJQANCHMSA-N 1 2 353.445 2.669 20 30 FFEDLO CC(C)(C)c1ccc(C#N)c(NC[C@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000613415934 520489790 /nfs/dbraw/zinc/48/97/90/520489790.db2.gz NFSSUCQCKGFTTN-LJQANCHMSA-N 1 2 360.527 2.871 20 30 FFEDLO CC(C)(C)c1ccc(C#N)c(Nc2cnn(CC[NH+]3CCOCC3)c2)n1 ZINC000613420188 520491912 /nfs/dbraw/zinc/49/19/12/520491912.db2.gz HCAGYLDPDAWXFI-UHFFFAOYSA-N 1 2 354.458 2.523 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCn2c[nH+]cc2C1 ZINC000595491583 520505052 /nfs/dbraw/zinc/50/50/52/520505052.db2.gz RTKRFBYIZWEBOP-AWEZNQCLSA-N 1 2 355.467 2.589 20 30 FFEDLO N#CC[C@@H]1CCCN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000595538906 520536690 /nfs/dbraw/zinc/53/66/90/520536690.db2.gz WPEXUGONYFWUOW-SFHVURJKSA-N 1 2 351.454 2.961 20 30 FFEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCCOCC2)c1C#N ZINC000604498483 520581516 /nfs/dbraw/zinc/58/15/16/520581516.db2.gz LMLWZJYNFHVOGC-UHFFFAOYSA-N 1 2 370.428 2.766 20 30 FFEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCCOCC2)c1C#N ZINC000604498483 520581523 /nfs/dbraw/zinc/58/15/23/520581523.db2.gz LMLWZJYNFHVOGC-UHFFFAOYSA-N 1 2 370.428 2.766 20 30 FFEDLO C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595631789 520609532 /nfs/dbraw/zinc/60/95/32/520609532.db2.gz HVJKSAWNXKMMBM-AWEZNQCLSA-N 1 2 372.469 2.586 20 30 FFEDLO C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633587 520612029 /nfs/dbraw/zinc/61/20/29/520612029.db2.gz PIJAPHXARRTUMZ-OAHLLOKOSA-N 1 2 354.479 2.793 20 30 FFEDLO COc1cc(C#N)ccc1OCC(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000610310293 520631085 /nfs/dbraw/zinc/63/10/85/520631085.db2.gz ITKOJKCSUHTGSG-UHFFFAOYSA-N 1 2 350.378 2.780 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595748884 520695147 /nfs/dbraw/zinc/69/51/47/520695147.db2.gz YTFSTQJRZKLVAG-PWRODBHTSA-N 1 2 364.445 2.870 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595748884 520695155 /nfs/dbraw/zinc/69/51/55/520695155.db2.gz YTFSTQJRZKLVAG-PWRODBHTSA-N 1 2 364.445 2.870 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](CC)OC[C@@H]2C)cc1 ZINC000593063829 520717242 /nfs/dbraw/zinc/71/72/42/520717242.db2.gz OTARZXPWAMHODD-WMZOPIPTSA-N 1 2 359.470 2.831 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](CC)OC[C@@H]2C)cc1 ZINC000593063829 520717254 /nfs/dbraw/zinc/71/72/54/520717254.db2.gz OTARZXPWAMHODD-WMZOPIPTSA-N 1 2 359.470 2.831 20 30 FFEDLO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000598590020 520730092 /nfs/dbraw/zinc/73/00/92/520730092.db2.gz NXABJNLRJVKCRI-ZDUSSCGKSA-N 1 2 367.852 2.538 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)c(Cl)c1 ZINC000598647772 520759853 /nfs/dbraw/zinc/75/98/53/520759853.db2.gz INSDWRCLJROCSO-UHFFFAOYSA-N 1 2 372.831 2.772 20 30 FFEDLO C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1[nH+]ccn1C ZINC000595843703 520760129 /nfs/dbraw/zinc/76/01/29/520760129.db2.gz CBSKCJSZVCKXOD-AWEZNQCLSA-N 1 2 353.426 2.606 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000610614415 520765316 /nfs/dbraw/zinc/76/53/16/520765316.db2.gz RHRQGGWCYPLQQE-VWYCJHECSA-N 1 2 359.314 2.667 20 30 FFEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2cc(C#N)ncn2)CC1 ZINC000617936143 520793042 /nfs/dbraw/zinc/79/30/42/520793042.db2.gz XYJRSLZJLIMKNE-CYBMUJFWSA-N 1 2 350.451 2.841 20 30 FFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000598918911 520918154 /nfs/dbraw/zinc/91/81/54/520918154.db2.gz HFSOICYHZPZQBG-IDYZSHNDSA-N 1 2 372.513 2.717 20 30 FFEDLO Cc1nc(C[NH+]2CCN(c3cc(C)c([N+](=O)[O-])c(C#N)c3)CC2)oc1C ZINC000596112349 520919250 /nfs/dbraw/zinc/91/92/50/520919250.db2.gz OTKSTIJGGNIJDB-UHFFFAOYSA-N 1 2 355.398 2.702 20 30 FFEDLO N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000598948473 520936569 /nfs/dbraw/zinc/93/65/69/520936569.db2.gz QCTYNCIVTLVVRY-INIZCTEOSA-N 1 2 362.389 2.672 20 30 FFEDLO Cc1cc(NCCNC(=O)N[C@@H](C)c2cccc(C#N)c2)nc(C(C)C)[nH+]1 ZINC000598998654 520969661 /nfs/dbraw/zinc/96/96/61/520969661.db2.gz LTESVFXIUGKJLS-HNNXBMFYSA-N 1 2 366.469 2.674 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000611074423 520972553 /nfs/dbraw/zinc/97/25/53/520972553.db2.gz RPKPIIMTRMRMMU-CZAAIQMYSA-N 1 2 355.482 2.603 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000611074423 520972560 /nfs/dbraw/zinc/97/25/60/520972560.db2.gz RPKPIIMTRMRMMU-CZAAIQMYSA-N 1 2 355.482 2.603 20 30 FFEDLO N#CC[C@@]1(O)CCN(c2nc(NCc3ccccc3)c3ccccc3[nH+]2)C1 ZINC000596288115 521011777 /nfs/dbraw/zinc/01/17/77/521011777.db2.gz AIRMRSYISKEWKQ-OAQYLSRUSA-N 1 2 359.433 2.519 20 30 FFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601971628 521048005 /nfs/dbraw/zinc/04/80/05/521048005.db2.gz DAEBCIAYOGVCMM-QRHJNKNDSA-N 1 2 357.445 2.662 20 30 FFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601971628 521048013 /nfs/dbraw/zinc/04/80/13/521048013.db2.gz DAEBCIAYOGVCMM-QRHJNKNDSA-N 1 2 357.445 2.662 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+]1CCO[C@H](C(F)F)CC1)c1cccc(Cl)c1 ZINC000601974040 521051351 /nfs/dbraw/zinc/05/13/51/521051351.db2.gz HNRMOYGKFJCEMG-HNNXBMFYSA-N 1 2 371.815 2.943 20 30 FFEDLO N#CCCN(C(=O)C[N@H+]1CCO[C@H](C(F)F)CC1)c1cccc(Cl)c1 ZINC000601974040 521051355 /nfs/dbraw/zinc/05/13/55/521051355.db2.gz HNRMOYGKFJCEMG-HNNXBMFYSA-N 1 2 371.815 2.943 20 30 FFEDLO Cc1nc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c(Cl)cc1C#N ZINC000599183875 521076785 /nfs/dbraw/zinc/07/67/85/521076785.db2.gz CKSAATJQJQZYMN-MRXNPFEDSA-N 1 2 357.845 2.623 20 30 FFEDLO Cc1nc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c(Cl)cc1C#N ZINC000599183875 521076790 /nfs/dbraw/zinc/07/67/90/521076790.db2.gz CKSAATJQJQZYMN-MRXNPFEDSA-N 1 2 357.845 2.623 20 30 FFEDLO CC[N@H+](CCCNC(=O)C(=O)Nc1cc(F)cc(C#N)c1)c1ccccc1 ZINC000602019280 521081469 /nfs/dbraw/zinc/08/14/69/521081469.db2.gz JVDDIFCIXOEPFN-UHFFFAOYSA-N 1 2 368.412 2.669 20 30 FFEDLO CC[N@@H+](CCCNC(=O)C(=O)Nc1cc(F)cc(C#N)c1)c1ccccc1 ZINC000602019280 521081478 /nfs/dbraw/zinc/08/14/78/521081478.db2.gz JVDDIFCIXOEPFN-UHFFFAOYSA-N 1 2 368.412 2.669 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)[C@@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000593621129 521112361 /nfs/dbraw/zinc/11/23/61/521112361.db2.gz NVBWSVPJGYFZPF-OAGGEKHMSA-N 1 2 373.478 2.823 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)[C@@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000593621129 521112368 /nfs/dbraw/zinc/11/23/68/521112368.db2.gz NVBWSVPJGYFZPF-OAGGEKHMSA-N 1 2 373.478 2.823 20 30 FFEDLO CCc1cc(N2CCN([C@H](C#N)C(C)C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000611413177 521143878 /nfs/dbraw/zinc/14/38/78/521143878.db2.gz WVRAYANVWCTTSE-GOSISDBHSA-N 1 2 350.470 2.771 20 30 FFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CCOCC1 ZINC000599327226 521154372 /nfs/dbraw/zinc/15/43/72/521154372.db2.gz PSWHMXPXNBYQDY-HNNXBMFYSA-N 1 2 357.429 2.736 20 30 FFEDLO N#CC1(C[C@H](O)C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CCOCC1 ZINC000599327226 521154382 /nfs/dbraw/zinc/15/43/82/521154382.db2.gz PSWHMXPXNBYQDY-HNNXBMFYSA-N 1 2 357.429 2.736 20 30 FFEDLO CC[C@@H](C#N)C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000593698822 521164652 /nfs/dbraw/zinc/16/46/52/521164652.db2.gz SWMWZTTZMKJVKI-LBPRGKRZSA-N 1 2 365.231 2.817 20 30 FFEDLO CO[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000596657810 521196345 /nfs/dbraw/zinc/19/63/45/521196345.db2.gz BRSMDEAAQQLCTH-FQEVSTJZSA-N 1 2 355.482 2.798 20 30 FFEDLO C[C@@H]1Cc2cc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc2O1 ZINC000596659177 521196842 /nfs/dbraw/zinc/19/68/42/521196842.db2.gz UIHKHQPXNZMWMK-MRXNPFEDSA-N 1 2 361.445 2.840 20 30 FFEDLO CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552019 521215770 /nfs/dbraw/zinc/21/57/70/521215770.db2.gz ZSNIVPDNUSWZCL-FXAWDEMLSA-N 1 2 374.504 2.901 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2sccc2C#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599591157 521315039 /nfs/dbraw/zinc/31/50/39/521315039.db2.gz SHTPIKDFZPVMDN-TZMCWYRMSA-N 1 2 363.483 2.858 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599591157 521315046 /nfs/dbraw/zinc/31/50/46/521315046.db2.gz SHTPIKDFZPVMDN-TZMCWYRMSA-N 1 2 363.483 2.858 20 30 FFEDLO COc1cc(C)nc(N2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)n1 ZINC000615224356 521322145 /nfs/dbraw/zinc/32/21/45/521322145.db2.gz LLDBEEFRRWMELP-UHFFFAOYSA-N 1 2 357.845 2.641 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1C ZINC000599632403 521345027 /nfs/dbraw/zinc/34/50/27/521345027.db2.gz JUTVKEAFMNGAEQ-ZENTWMBTSA-N 1 2 373.522 2.536 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1C ZINC000599632403 521345036 /nfs/dbraw/zinc/34/50/36/521345036.db2.gz JUTVKEAFMNGAEQ-ZENTWMBTSA-N 1 2 373.522 2.536 20 30 FFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(S(N)(=O)=O)cc1 ZINC000602488002 521375414 /nfs/dbraw/zinc/37/54/14/521375414.db2.gz YAVNKYLFACZRBR-RBUKOAKNSA-N 1 2 355.463 2.606 20 30 FFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(S(N)(=O)=O)cc1 ZINC000602488002 521375417 /nfs/dbraw/zinc/37/54/17/521375417.db2.gz YAVNKYLFACZRBR-RBUKOAKNSA-N 1 2 355.463 2.606 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(S(N)(=O)=O)cc1 ZINC000602488000 521375619 /nfs/dbraw/zinc/37/56/19/521375619.db2.gz YAVNKYLFACZRBR-MOPGFXCFSA-N 1 2 355.463 2.606 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(S(N)(=O)=O)cc1 ZINC000602488000 521375629 /nfs/dbraw/zinc/37/56/29/521375629.db2.gz YAVNKYLFACZRBR-MOPGFXCFSA-N 1 2 355.463 2.606 20 30 FFEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685751 521401695 /nfs/dbraw/zinc/40/16/95/521401695.db2.gz JPMZDGCOYXGWKH-CQSZACIVSA-N 1 2 363.417 2.867 20 30 FFEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685751 521401702 /nfs/dbraw/zinc/40/17/02/521401702.db2.gz JPMZDGCOYXGWKH-CQSZACIVSA-N 1 2 363.417 2.867 20 30 FFEDLO CC[NH+](CC)Cc1nc(C2(NCc3cccc(C#N)n3)CCCC2)no1 ZINC000602544917 521404095 /nfs/dbraw/zinc/40/40/95/521404095.db2.gz FQKNFIWPAHMUOP-UHFFFAOYSA-N 1 2 354.458 2.737 20 30 FFEDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000599690312 521405410 /nfs/dbraw/zinc/40/54/10/521405410.db2.gz NOWWBCGNOIAPGZ-SFHVURJKSA-N 1 2 351.454 2.543 20 30 FFEDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000599690312 521405415 /nfs/dbraw/zinc/40/54/15/521405415.db2.gz NOWWBCGNOIAPGZ-SFHVURJKSA-N 1 2 351.454 2.543 20 30 FFEDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000599701385 521412501 /nfs/dbraw/zinc/41/25/01/521412501.db2.gz JMDZDBUYAVCMIK-IBGZPJMESA-N 1 2 370.497 2.541 20 30 FFEDLO CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000599701385 521412508 /nfs/dbraw/zinc/41/25/08/521412508.db2.gz JMDZDBUYAVCMIK-IBGZPJMESA-N 1 2 370.497 2.541 20 30 FFEDLO N#Cc1cccc(NC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)n1 ZINC000599797839 521479451 /nfs/dbraw/zinc/47/94/51/521479451.db2.gz RFYNEASYPPVUSI-UHFFFAOYSA-N 1 2 360.421 2.784 20 30 FFEDLO Cc1ccc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)nc1C#N ZINC000615702370 521506206 /nfs/dbraw/zinc/50/62/06/521506206.db2.gz CFAIDWMJZHXEFB-GOSISDBHSA-N 1 2 356.857 2.771 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3cccc(OC4CC4)c3F)CC2)c1C#N ZINC000597109069 521512035 /nfs/dbraw/zinc/51/20/35/521512035.db2.gz ZSSGUIPMBKNCST-UHFFFAOYSA-N 1 2 369.444 2.603 20 30 FFEDLO C[C@]1(C#N)CCC[N@H+](CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000612164895 521514579 /nfs/dbraw/zinc/51/45/79/521514579.db2.gz HZLANCPZUVKAPL-LJQANCHMSA-N 1 2 360.889 2.614 20 30 FFEDLO C[C@]1(C#N)CCC[N@@H+](CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000612164895 521514585 /nfs/dbraw/zinc/51/45/85/521514585.db2.gz HZLANCPZUVKAPL-LJQANCHMSA-N 1 2 360.889 2.614 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(OC(F)(F)F)cc1 ZINC000615759717 521522058 /nfs/dbraw/zinc/52/20/58/521522058.db2.gz QRSBHTQTUSSGJY-GXTWGEPZSA-N 1 2 364.327 2.725 20 30 FFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000594279043 521530141 /nfs/dbraw/zinc/53/01/41/521530141.db2.gz DDGSQDWZYOIAGV-MRXNPFEDSA-N 1 2 368.506 2.928 20 30 FFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000594279043 521530146 /nfs/dbraw/zinc/53/01/46/521530146.db2.gz DDGSQDWZYOIAGV-MRXNPFEDSA-N 1 2 368.506 2.928 20 30 FFEDLO Cc1cc(C(=O)N2CC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)[C@H](C)C2)[nH]n1 ZINC000597147418 521536474 /nfs/dbraw/zinc/53/64/74/521536474.db2.gz WHZMVPNSPLOQRD-MRXNPFEDSA-N 1 2 363.465 2.620 20 30 FFEDLO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)[C@H](C)C2)[nH]n1 ZINC000597147418 521536483 /nfs/dbraw/zinc/53/64/83/521536483.db2.gz WHZMVPNSPLOQRD-MRXNPFEDSA-N 1 2 363.465 2.620 20 30 FFEDLO Cc1cc(C(=O)N2CC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)[C@H](C)C2)n[nH]1 ZINC000597147418 521536493 /nfs/dbraw/zinc/53/64/93/521536493.db2.gz WHZMVPNSPLOQRD-MRXNPFEDSA-N 1 2 363.465 2.620 20 30 FFEDLO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)[C@H](C)C2)n[nH]1 ZINC000597147418 521536501 /nfs/dbraw/zinc/53/65/01/521536501.db2.gz WHZMVPNSPLOQRD-MRXNPFEDSA-N 1 2 363.465 2.620 20 30 FFEDLO Cn1c2ccc(NC(=O)C(=O)N3CCC[C@@](C)(C#N)C3)cc2[nH+]c1C1CC1 ZINC000612269424 521553017 /nfs/dbraw/zinc/55/30/17/521553017.db2.gz AEHRQGBNSAKTDB-FQEVSTJZSA-N 1 2 365.437 2.541 20 30 FFEDLO CN(C)C(=O)c1ccccc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000597184034 521563303 /nfs/dbraw/zinc/56/33/03/521563303.db2.gz RLMYCGDILIMZRI-UHFFFAOYSA-N 1 2 354.479 2.644 20 30 FFEDLO C=C(C)COc1cc(C[N@H+]2CCC[C@@]2(COC)C(=O)OC)ccc1OC ZINC000597222675 521582601 /nfs/dbraw/zinc/58/26/01/521582601.db2.gz XQHJXCAVQJDDBK-HXUWFJFHSA-N 1 2 363.454 2.804 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+]2CCC[C@@]2(COC)C(=O)OC)ccc1OC ZINC000597222675 521582605 /nfs/dbraw/zinc/58/26/05/521582605.db2.gz XQHJXCAVQJDDBK-HXUWFJFHSA-N 1 2 363.454 2.804 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1C#N ZINC000619516378 521604364 /nfs/dbraw/zinc/60/43/64/521604364.db2.gz MXSDHUVLWCDUGO-OAQYLSRUSA-N 1 2 366.465 2.822 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1C#N ZINC000619516378 521604367 /nfs/dbraw/zinc/60/43/67/521604367.db2.gz MXSDHUVLWCDUGO-OAQYLSRUSA-N 1 2 366.465 2.822 20 30 FFEDLO N#CCc1ccccc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000619572122 521775266 /nfs/dbraw/zinc/77/52/66/521775266.db2.gz OKMMJRXBOGCRJP-KRWDZBQOSA-N 1 2 373.478 2.851 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3nccc(C(C)C)n3)CC2)ccc1C#N ZINC000619674589 521822198 /nfs/dbraw/zinc/82/21/98/521822198.db2.gz HKHWQKDWNLRMGA-UHFFFAOYSA-N 1 2 351.454 2.802 20 30 FFEDLO N#Cc1ccccc1OCC(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000619777882 521867307 /nfs/dbraw/zinc/86/73/07/521867307.db2.gz FQSDJEDYZOREPG-KRWDZBQOSA-N 1 2 355.825 2.764 20 30 FFEDLO N#C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000619784771 521871988 /nfs/dbraw/zinc/87/19/88/521871988.db2.gz QCCXNJFBOJSZQT-SFHVURJKSA-N 1 2 360.889 2.535 20 30 FFEDLO C=C1CC(C)(C(=O)Nc2ccc3nc(CC[NH+]4CCOCC4)[nH]c3c2)C1 ZINC000630881560 523214214 /nfs/dbraw/zinc/21/42/14/523214214.db2.gz HSJLCLXKVVYUSZ-UHFFFAOYSA-N 1 2 354.454 2.732 20 30 FFEDLO CC[C@@](C)([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)c1nccs1 ZINC000625252250 523291802 /nfs/dbraw/zinc/29/18/02/523291802.db2.gz CYTHZIUPXMOMQX-LJQANCHMSA-N 1 2 353.447 2.658 20 30 FFEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccc(-c2nn[nH]n2)c1 ZINC000824633333 608481077 /nfs/dbraw/zinc/48/10/77/608481077.db2.gz LBBDFONZJGPWRS-LBPRGKRZSA-N 1 2 372.392 2.639 20 30 FFEDLO Cc1cc(Br)cn2cc(CCNc3ccc(C#N)nn3)[nH+]c12 ZINC000612453452 676083105 /nfs/dbraw/zinc/08/31/05/676083105.db2.gz XNCHVWRMWVPYGP-UHFFFAOYSA-N 1 2 357.215 2.722 20 30 FFEDLO Cc1cc(Br)cn2cc(CCNc3nccnc3C#N)[nH+]c12 ZINC000544700866 673727317 /nfs/dbraw/zinc/72/73/17/673727317.db2.gz HBQYOJFQWWVZLE-UHFFFAOYSA-N 1 2 357.215 2.722 20 30 FFEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(C)c(C)cc2C#N)CC1 ZINC001164918439 721814431 /nfs/dbraw/zinc/81/44/31/721814431.db2.gz YCAQHJVVVLTUNR-UHFFFAOYSA-N 1 2 350.470 2.516 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745078222 735395711 /nfs/dbraw/zinc/39/57/11/735395711.db2.gz BTEGXEWVWYKDJC-GOEBONIOSA-N 1 2 350.484 2.679 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000745078222 735395714 /nfs/dbraw/zinc/39/57/14/735395714.db2.gz BTEGXEWVWYKDJC-GOEBONIOSA-N 1 2 350.484 2.679 20 30 FFEDLO CCOC(=O)c1ccc(N2CC[NH+](Cc3cc(C#N)cs3)CC2)nc1 ZINC000129627620 728712397 /nfs/dbraw/zinc/71/23/97/728712397.db2.gz XTFZHZLLHRITFK-UHFFFAOYSA-N 1 2 356.451 2.514 20 30 FFEDLO CC[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1cccc(C#N)c1O ZINC000924784278 738449082 /nfs/dbraw/zinc/44/90/82/738449082.db2.gz SPOMYJBAHGTNRQ-GOSISDBHSA-N 1 2 358.463 2.920 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nn1 ZINC000640782797 730175853 /nfs/dbraw/zinc/17/58/53/730175853.db2.gz XJFNXTYPODEDTL-NSHDSACASA-N 1 2 366.252 2.898 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000857237146 730386636 /nfs/dbraw/zinc/38/66/36/730386636.db2.gz OYSRDFXSMQRVTG-CHWSQXEVSA-N 1 2 361.433 2.521 20 30 FFEDLO CCCCCCCCCS(=O)(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000859382307 730452773 /nfs/dbraw/zinc/45/27/73/730452773.db2.gz GVHBYDTWDGYLDY-UHFFFAOYSA-N 1 2 360.564 2.863 20 30 FFEDLO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000859445002 730455110 /nfs/dbraw/zinc/45/51/10/730455110.db2.gz IDGWSFZLTRWHDF-LBPRGKRZSA-N 1 2 358.410 2.519 20 30 FFEDLO C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000859445002 730455111 /nfs/dbraw/zinc/45/51/11/730455111.db2.gz IDGWSFZLTRWHDF-LBPRGKRZSA-N 1 2 358.410 2.519 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000860306398 730500199 /nfs/dbraw/zinc/50/01/99/730500199.db2.gz BHKVENXJWLJPCT-LSDHHAIUSA-N 1 2 364.515 2.925 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000860306398 730500202 /nfs/dbraw/zinc/50/02/02/730500202.db2.gz BHKVENXJWLJPCT-LSDHHAIUSA-N 1 2 364.515 2.925 20 30 FFEDLO Nc1nc(Cl)c(C=[NH+]Nc2ccc([N+](=O)[O-])cc2)c(N2CCCC2)n1 ZINC000863950990 730817811 /nfs/dbraw/zinc/81/78/11/730817811.db2.gz ZKPXRAOMEYSTJB-UHFFFAOYSA-N 1 2 361.793 2.667 20 30 FFEDLO C#CCC[NH+]1CCC(NC(=O)c2cc(Br)cc(F)c2O)CC1 ZINC000866015965 731021466 /nfs/dbraw/zinc/02/14/66/731021466.db2.gz SXQQUIZMRLHTEC-UHFFFAOYSA-N 1 2 369.234 2.511 20 30 FFEDLO C#CCC1(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)CCOCC1 ZINC000925436818 738506452 /nfs/dbraw/zinc/50/64/52/738506452.db2.gz SKUUXHJASGWMBZ-UHFFFAOYSA-N 1 2 357.479 2.565 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1c(C)cccc1C#N ZINC000872478893 731776571 /nfs/dbraw/zinc/77/65/71/731776571.db2.gz DTBNJYDVIGICLS-UHFFFAOYSA-N 1 2 360.483 2.727 20 30 FFEDLO Cc1csc([C@@H]2CC[N@H+](Cn3cc4c(c(C#N)c3=O)CCCC4)C2)n1 ZINC000872806694 731834451 /nfs/dbraw/zinc/83/44/51/731834451.db2.gz RSIXJBRJPQIAAE-OAHLLOKOSA-N 1 2 354.479 2.811 20 30 FFEDLO Cc1csc([C@@H]2CC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCCC4)C2)n1 ZINC000872806694 731834456 /nfs/dbraw/zinc/83/44/56/731834456.db2.gz RSIXJBRJPQIAAE-OAHLLOKOSA-N 1 2 354.479 2.811 20 30 FFEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000874705172 732094553 /nfs/dbraw/zinc/09/45/53/732094553.db2.gz TTZXGTRLBKRJBO-GFCCVEGCSA-N 1 2 356.253 2.706 20 30 FFEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000874705172 732094557 /nfs/dbraw/zinc/09/45/57/732094557.db2.gz TTZXGTRLBKRJBO-GFCCVEGCSA-N 1 2 356.253 2.706 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)[C@@H](C)COC ZINC000661244102 732187589 /nfs/dbraw/zinc/18/75/89/732187589.db2.gz PTJQRDYMPNUWNP-LBPRGKRZSA-N 1 2 356.850 2.819 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)[C@@H](C)COC ZINC000661244102 732187590 /nfs/dbraw/zinc/18/75/90/732187590.db2.gz PTJQRDYMPNUWNP-LBPRGKRZSA-N 1 2 356.850 2.819 20 30 FFEDLO C=CC[N@@H+](CCOC)Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000877473499 732367618 /nfs/dbraw/zinc/36/76/18/732367618.db2.gz NGNZBBYFOIEGIN-UHFFFAOYSA-N 1 2 351.447 2.643 20 30 FFEDLO C=CC[N@H+](CCOC)Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000877473499 732367623 /nfs/dbraw/zinc/36/76/23/732367623.db2.gz NGNZBBYFOIEGIN-UHFFFAOYSA-N 1 2 351.447 2.643 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879623512 732735755 /nfs/dbraw/zinc/73/57/55/732735755.db2.gz ZJFGMYMOBOPVIM-LSDHHAIUSA-N 1 2 361.511 2.970 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879623512 732735758 /nfs/dbraw/zinc/73/57/58/732735758.db2.gz ZJFGMYMOBOPVIM-LSDHHAIUSA-N 1 2 361.511 2.970 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000884139604 733485395 /nfs/dbraw/zinc/48/53/95/733485395.db2.gz XBYMDSMHOKCWKU-QWHCGFSZSA-N 1 2 357.237 2.544 20 30 FFEDLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)C[C@@H](O)CC2(C#N)CCC2)n1 ZINC000886027822 733741329 /nfs/dbraw/zinc/74/13/29/733741329.db2.gz IVMCGSXJTRCHSR-CABCVRRESA-N 1 2 350.463 2.680 20 30 FFEDLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)n1 ZINC000886027822 733741332 /nfs/dbraw/zinc/74/13/32/733741332.db2.gz IVMCGSXJTRCHSR-CABCVRRESA-N 1 2 350.463 2.680 20 30 FFEDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2C[C@H](O)CC2(C#N)CCC2)n1 ZINC000886167846 733756296 /nfs/dbraw/zinc/75/62/96/733756296.db2.gz BLQZMDWKFIFWQI-HIFRSBDPSA-N 1 2 363.483 2.902 20 30 FFEDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2C[C@H](O)CC2(C#N)CCC2)n1 ZINC000886167846 733756298 /nfs/dbraw/zinc/75/62/98/733756298.db2.gz BLQZMDWKFIFWQI-HIFRSBDPSA-N 1 2 363.483 2.902 20 30 FFEDLO C[NH+](C)[C@@H](C(=O)N1CCC2(CC1)CC(=O)C=CO2)c1cccc(Cl)c1 ZINC000887779429 733975170 /nfs/dbraw/zinc/97/51/70/733975170.db2.gz PZXWHWKQYNQSKI-QGZVFWFLSA-N 1 2 362.857 2.807 20 30 FFEDLO N#Cc1cc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)cs1 ZINC000891543662 734443511 /nfs/dbraw/zinc/44/35/11/734443511.db2.gz RWBKORKWGMXQLV-UHFFFAOYSA-N 1 2 367.521 2.624 20 30 FFEDLO C#CCOc1ccccc1C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000734159931 734878371 /nfs/dbraw/zinc/87/83/71/734878371.db2.gz RSZGKFNEMYEBBZ-QGZVFWFLSA-N 1 2 373.250 2.777 20 30 FFEDLO N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3cc(C#N)cnc3Cl)C2)nc1 ZINC000896651471 735178157 /nfs/dbraw/zinc/17/81/57/735178157.db2.gz TZPBDPFAJAZYGH-INIZCTEOSA-N 1 2 352.829 2.950 20 30 FFEDLO N#Cc1ccc(N[C@H]2CCC[N@H+](Cc3cc(C#N)cnc3Cl)C2)nc1 ZINC000896651471 735178159 /nfs/dbraw/zinc/17/81/59/735178159.db2.gz TZPBDPFAJAZYGH-INIZCTEOSA-N 1 2 352.829 2.950 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCOc3ccc(Br)cc32)nn1 ZINC000899738979 735548374 /nfs/dbraw/zinc/54/83/74/735548374.db2.gz BNRZIKLHCJZDJH-OAHLLOKOSA-N 1 2 361.243 2.525 20 30 FFEDLO C=C(Cl)C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(=O)[O-] ZINC000901938607 735874182 /nfs/dbraw/zinc/87/41/82/735874182.db2.gz IQGAFYCWFPIORY-QGZVFWFLSA-N 1 2 351.878 2.907 20 30 FFEDLO Clc1c(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)cnn1Cc1ccccc1 ZINC000789033540 739310620 /nfs/dbraw/zinc/31/06/20/739310620.db2.gz IWXDBEWJBRKZCO-HZPDHXFCSA-N 1 2 356.861 2.779 20 30 FFEDLO N#Cc1cccn(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1=O ZINC000758240407 736467011 /nfs/dbraw/zinc/46/70/11/736467011.db2.gz PWSHOWTVLYSNGS-HNNXBMFYSA-N 1 2 354.479 2.892 20 30 FFEDLO N#Cc1cccn(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1=O ZINC000758240407 736467015 /nfs/dbraw/zinc/46/70/15/736467015.db2.gz PWSHOWTVLYSNGS-HNNXBMFYSA-N 1 2 354.479 2.892 20 30 FFEDLO C[NH+]1CCN(c2ccc(Nc3cc(C#N)ncn3)cc2Br)CC1 ZINC000764917309 737062831 /nfs/dbraw/zinc/06/28/31/737062831.db2.gz VTOOVCCYMVAQMG-UHFFFAOYSA-N 1 2 373.258 2.606 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000915908253 737663712 /nfs/dbraw/zinc/66/37/12/737663712.db2.gz OSUPHUSPSWETOX-HNNXBMFYSA-N 1 2 367.280 2.579 20 30 FFEDLO CC(C)(CNC(=O)CSc1cccc(C#N)c1Cl)[NH+]1CCOCC1 ZINC000920274851 737897945 /nfs/dbraw/zinc/89/79/45/737897945.db2.gz PJRSEFIGOKLTOX-UHFFFAOYSA-N 1 2 367.902 2.531 20 30 FFEDLO Cc1cc(Br)cn2c(CN=Nc3nc4ccccn4n3)c[nH+]c12 ZINC000790195715 739425166 /nfs/dbraw/zinc/42/51/66/739425166.db2.gz MGAUPCIJOUQLBD-UHFFFAOYSA-N 1 2 370.214 2.894 20 30 FFEDLO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000934426467 739787600 /nfs/dbraw/zinc/78/76/00/739787600.db2.gz VMOTVMDECFKWSD-CQSZACIVSA-N 1 2 350.463 2.892 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@@](C)(CO)c2cccc(Br)c2)nn1 ZINC000934496721 739793800 /nfs/dbraw/zinc/79/38/00/739793800.db2.gz YQHNRVBGUJGNLX-INIZCTEOSA-N 1 2 365.275 2.614 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)C2(C#N)CCSCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000935156324 739903687 /nfs/dbraw/zinc/90/36/87/739903687.db2.gz KMDVJTUQVNHRMW-HOTGVXAUSA-N 1 2 365.449 2.863 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)C2(C#N)CCSCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000935156324 739903688 /nfs/dbraw/zinc/90/36/88/739903688.db2.gz KMDVJTUQVNHRMW-HOTGVXAUSA-N 1 2 365.449 2.863 20 30 FFEDLO N#CC1(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CCSCC1 ZINC000935714341 739999559 /nfs/dbraw/zinc/99/95/59/739999559.db2.gz HCTNKZMHMMOWLF-UHFFFAOYSA-N 1 2 358.511 2.962 20 30 FFEDLO C[C@H](C#N)OCCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000801655382 740639299 /nfs/dbraw/zinc/63/92/99/740639299.db2.gz XVSDDVSKNBUMMO-OAHLLOKOSA-N 1 2 357.483 2.884 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cc(O)ccc2Cl)C1 ZINC000970446766 740749842 /nfs/dbraw/zinc/74/98/42/740749842.db2.gz JCQCGBFKTYFNOV-NJAPINKUSA-N 1 2 364.873 2.573 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC000970572568 740752666 /nfs/dbraw/zinc/75/26/66/740752666.db2.gz WJBDVCTXRQPCKC-OWQGQXMQSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)cs2)C1 ZINC000972507643 740832400 /nfs/dbraw/zinc/83/24/00/740832400.db2.gz ATGBOYJKPMQRKR-BQFCYCMXSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)cs2)C1 ZINC000972507643 740832402 /nfs/dbraw/zinc/83/24/02/740832402.db2.gz ATGBOYJKPMQRKR-BQFCYCMXSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccncc2Cl)CC1(C)C ZINC000975068661 740921947 /nfs/dbraw/zinc/92/19/47/740921947.db2.gz YGCVMLCJSHFEIV-HYVNUMGLSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccncc2Cl)CC1(C)C ZINC000975068661 740921950 /nfs/dbraw/zinc/92/19/50/740921950.db2.gz YGCVMLCJSHFEIV-HYVNUMGLSA-N 1 2 363.889 2.653 20 30 FFEDLO CC1=C(C(=O)C=Cc2cc(-n3cc[nH+]c3)cs2)[C@@H](C)N2NN=NC2=N1 ZINC000806560927 741069289 /nfs/dbraw/zinc/06/92/89/741069289.db2.gz RSQXDWYGQMAMEZ-PGLGOXFNSA-N 1 2 353.411 2.736 20 30 FFEDLO C=CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)C(C)C ZINC000808060763 741182039 /nfs/dbraw/zinc/18/20/39/741182039.db2.gz RABMIYRMZADFJR-IAGOWNOFSA-N 1 2 363.889 2.624 20 30 FFEDLO C=CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)C(C)C ZINC000808060763 741182041 /nfs/dbraw/zinc/18/20/41/741182041.db2.gz RABMIYRMZADFJR-IAGOWNOFSA-N 1 2 363.889 2.624 20 30 FFEDLO C#C[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000812183657 741593514 /nfs/dbraw/zinc/59/35/14/741593514.db2.gz GJOYSGXQMJDPMD-RCCFBDPRSA-N 1 2 363.889 2.669 20 30 FFEDLO C#C[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000812183657 741593516 /nfs/dbraw/zinc/59/35/16/741593516.db2.gz GJOYSGXQMJDPMD-RCCFBDPRSA-N 1 2 363.889 2.669 20 30 FFEDLO N#C[C@@H]1CC[C@H]([NH+]2CCC(O)(c3scnc3Br)CC2)C1 ZINC000815105107 741901692 /nfs/dbraw/zinc/90/16/92/741901692.db2.gz CUGDJAWOENVOBX-MNOVXSKESA-N 1 2 356.289 2.881 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2ncc(C)s2)CC1 ZINC001000694481 742093498 /nfs/dbraw/zinc/09/34/98/742093498.db2.gz BMKWTQLHGUVVPB-SJORKVTESA-N 1 2 361.511 2.681 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2ncc(C)s2)CC1 ZINC001000694481 742093504 /nfs/dbraw/zinc/09/35/04/742093504.db2.gz BMKWTQLHGUVVPB-SJORKVTESA-N 1 2 361.511 2.681 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817571081 742170944 /nfs/dbraw/zinc/17/09/44/742170944.db2.gz MVFCVRFJQHZFAJ-OAHLLOKOSA-N 1 2 351.878 2.915 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817571081 742170945 /nfs/dbraw/zinc/17/09/45/742170945.db2.gz MVFCVRFJQHZFAJ-OAHLLOKOSA-N 1 2 351.878 2.915 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccnc(Cl)n2)cc1 ZINC000819495249 742398144 /nfs/dbraw/zinc/39/81/44/742398144.db2.gz VCNFABBCLYDUDZ-CQSZACIVSA-N 1 2 361.833 2.541 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccnc(Cl)n2)cc1 ZINC000819495249 742398148 /nfs/dbraw/zinc/39/81/48/742398148.db2.gz VCNFABBCLYDUDZ-CQSZACIVSA-N 1 2 361.833 2.541 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC001014468354 742467641 /nfs/dbraw/zinc/46/76/41/742467641.db2.gz JAWOCYOUJFYUCG-KSZLIROESA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC001014468354 742467643 /nfs/dbraw/zinc/46/76/43/742467643.db2.gz JAWOCYOUJFYUCG-KSZLIROESA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001014470214 742468223 /nfs/dbraw/zinc/46/82/23/742468223.db2.gz NSPIHEWQAQMMIA-UXLLHSPISA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC001014470214 742468227 /nfs/dbraw/zinc/46/82/27/742468227.db2.gz NSPIHEWQAQMMIA-UXLLHSPISA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC001015721178 742478591 /nfs/dbraw/zinc/47/85/91/742478591.db2.gz DDZXVBZCHNPERS-INMHGKMJSA-N 1 2 352.837 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001015721178 742478596 /nfs/dbraw/zinc/47/85/96/742478596.db2.gz DDZXVBZCHNPERS-INMHGKMJSA-N 1 2 352.837 2.761 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC001015827125 742484064 /nfs/dbraw/zinc/48/40/64/742484064.db2.gz MYIQLOKCLOPFLH-RYRKJORJSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001015827125 742484071 /nfs/dbraw/zinc/48/40/71/742484071.db2.gz MYIQLOKCLOPFLH-RYRKJORJSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC001015828702 742484695 /nfs/dbraw/zinc/48/46/95/742484695.db2.gz KGIMTEASGWUUHZ-MPGHIAIKSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001015828702 742484698 /nfs/dbraw/zinc/48/46/98/742484698.db2.gz KGIMTEASGWUUHZ-MPGHIAIKSA-N 1 2 350.409 2.637 20 30 FFEDLO C#C[C@@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000820750156 742544863 /nfs/dbraw/zinc/54/48/63/742544863.db2.gz LEEICIDQMSFMAH-SUMWQHHRSA-N 1 2 367.852 2.516 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC001023641072 742715434 /nfs/dbraw/zinc/71/54/34/742715434.db2.gz SKGADCXCHHADSY-SZMVWBNQSA-N 1 2 363.527 2.843 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC001023641072 742715436 /nfs/dbraw/zinc/71/54/36/742715436.db2.gz SKGADCXCHHADSY-SZMVWBNQSA-N 1 2 363.527 2.843 20 30 FFEDLO C#CCO[C@@H](C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000822496004 742743568 /nfs/dbraw/zinc/74/35/68/742743568.db2.gz WVDYGQSTZGXVRI-XJKSGUPXSA-N 1 2 352.837 2.771 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cc3c(Br)cccc3cn2)CC1 ZINC000822935800 742805383 /nfs/dbraw/zinc/80/53/83/742805383.db2.gz ZXHNLBCPDFRKAS-UHFFFAOYSA-N 1 2 372.266 2.778 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(F)ccc2Cl)C1 ZINC001031987672 742853416 /nfs/dbraw/zinc/85/34/16/742853416.db2.gz WMOBTLNVZKNDJT-WBVHZDCISA-N 1 2 352.837 2.618 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001032040446 742857091 /nfs/dbraw/zinc/85/70/91/742857091.db2.gz DJMGRNRFJALALM-WMZOPIPTSA-N 1 2 363.889 2.654 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001033955150 742907341 /nfs/dbraw/zinc/90/73/41/742907341.db2.gz XZLNYDQNZNQTOB-YUELXQCFSA-N 1 2 369.918 2.810 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001033955150 742907346 /nfs/dbraw/zinc/90/73/46/742907346.db2.gz XZLNYDQNZNQTOB-YUELXQCFSA-N 1 2 369.918 2.810 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(OC)c(OC)cc2SC)CC1 ZINC000824866397 743167086 /nfs/dbraw/zinc/16/70/86/743167086.db2.gz BDZIYNVTNDEAGH-UHFFFAOYSA-N 1 2 364.467 2.704 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCO[C@H]1CC ZINC001049609203 743476015 /nfs/dbraw/zinc/47/60/15/743476015.db2.gz GHILYIDJOQNWBJ-FPCVCCKLSA-N 1 2 371.319 2.775 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCO[C@H]1CC ZINC001049609203 743476017 /nfs/dbraw/zinc/47/60/17/743476017.db2.gz GHILYIDJOQNWBJ-FPCVCCKLSA-N 1 2 371.319 2.775 20 30 FFEDLO C#C[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000836242977 746173357 /nfs/dbraw/zinc/17/33/57/746173357.db2.gz ZKPMNZUGZLWNHG-SWLSCSKDSA-N 1 2 361.243 2.708 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(Br)c(C#N)c1)[NH+]1CCSCC1 ZINC000839387694 746820708 /nfs/dbraw/zinc/82/07/08/746820708.db2.gz AUJXBNUTCFWELJ-SNVBAGLBSA-N 1 2 354.273 2.697 20 30 FFEDLO C#C[C@H]([NH2+]Cc1ccc(F)cc1I)[C@@H]1CCCO1 ZINC000841872817 747479444 /nfs/dbraw/zinc/47/94/44/747479444.db2.gz QHKFNRKTJHEKPF-KBPBESRZSA-N 1 2 359.182 2.701 20 30 FFEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)C1CCOCC1 ZINC000852641732 749910922 /nfs/dbraw/zinc/91/09/22/749910922.db2.gz FHTRKSQTFDIECS-YJBOKZPZSA-N 1 2 361.511 2.565 20 30 FFEDLO C=CC[N@H+](CN1C(=O)C[C@@](C)(c2ccc(Cl)cc2)C1=O)[C@H](C)COC ZINC000853533688 750085790 /nfs/dbraw/zinc/08/57/90/750085790.db2.gz AHLZWGFLXHSJQO-KUHUBIRLSA-N 1 2 364.873 2.837 20 30 FFEDLO C=CC[N@@H+](CN1C(=O)C[C@@](C)(c2ccc(Cl)cc2)C1=O)[C@H](C)COC ZINC000853533688 750085795 /nfs/dbraw/zinc/08/57/95/750085795.db2.gz AHLZWGFLXHSJQO-KUHUBIRLSA-N 1 2 364.873 2.837 20 30 FFEDLO C=CC[N@H+](CN1C[C@@H](c2cc(F)c(F)c(F)c2)CC1=O)[C@H](C)COC ZINC000853534819 750086469 /nfs/dbraw/zinc/08/64/69/750086469.db2.gz MUQSOSPYXTUZAJ-OCCSQVGLSA-N 1 2 356.388 2.900 20 30 FFEDLO C=CC[N@@H+](CN1C[C@@H](c2cc(F)c(F)c(F)c2)CC1=O)[C@H](C)COC ZINC000853534819 750086474 /nfs/dbraw/zinc/08/64/74/750086474.db2.gz MUQSOSPYXTUZAJ-OCCSQVGLSA-N 1 2 356.388 2.900 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1cccc(-c3nccs3)c1)C2 ZINC001275838027 1013059817 /nfs/dbraw/zinc/05/98/17/1013059817.db2.gz WUPKWCPHEKRCKE-UHFFFAOYSA-N 1 2 369.490 2.799 20 30 FFEDLO N#Cc1cc(C(=O)N2C[C@@H]3C[N@H+](C/C(Cl)=C\Cl)CC[C@@H]3C2)c[nH]1 ZINC001087940272 971233358 /nfs/dbraw/zinc/23/33/58/971233358.db2.gz CLOOYXJZNZTPIF-QYPWUUSPSA-N 1 2 353.253 2.599 20 30 FFEDLO N#Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](C/C(Cl)=C\Cl)CC[C@@H]3C2)c[nH]1 ZINC001087940272 971233363 /nfs/dbraw/zinc/23/33/63/971233363.db2.gz CLOOYXJZNZTPIF-QYPWUUSPSA-N 1 2 353.253 2.599 20 30 FFEDLO C=C(C)C[C@H](NC(C)=O)c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896820675 971760335 /nfs/dbraw/zinc/76/03/35/971760335.db2.gz KHHIKEIKJJXROO-KRWDZBQOSA-N 1 2 351.410 2.990 20 30 FFEDLO Cc1cc(NC[C@H](O)C[N@H+](C)CCC#N)cc(NC(=O)OC(C)(C)C)c1 ZINC000872220814 1013184488 /nfs/dbraw/zinc/18/44/88/1013184488.db2.gz NAEXXFOPBPOMDE-KRWDZBQOSA-N 1 2 362.474 2.960 20 30 FFEDLO Cc1cc(NC[C@H](O)C[N@@H+](C)CCC#N)cc(NC(=O)OC(C)(C)C)c1 ZINC000872220814 1013184492 /nfs/dbraw/zinc/18/44/92/1013184492.db2.gz NAEXXFOPBPOMDE-KRWDZBQOSA-N 1 2 362.474 2.960 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029511880 972396814 /nfs/dbraw/zinc/39/68/14/972396814.db2.gz FTWDSFCBDUJXOJ-LRSLUSHPSA-N 1 2 364.489 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029511880 972396825 /nfs/dbraw/zinc/39/68/25/972396825.db2.gz FTWDSFCBDUJXOJ-LRSLUSHPSA-N 1 2 364.489 2.695 20 30 FFEDLO C#C[C@H]1CCCCN1C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000890648508 959870551 /nfs/dbraw/zinc/87/05/51/959870551.db2.gz KMBSWWLWAGNIGW-SFHVURJKSA-N 1 2 350.422 2.540 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C(C)C)o2)C1 ZINC000970220994 960934356 /nfs/dbraw/zinc/93/43/56/960934356.db2.gz PSOJRUVCYMRZRQ-GJYPPUQNSA-N 1 2 361.486 2.860 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(Br)s2)C1=O ZINC001275979941 1013254417 /nfs/dbraw/zinc/25/44/17/1013254417.db2.gz MBHIPTFXLGNCKB-OAHLLOKOSA-N 1 2 353.285 2.711 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(Br)s2)C1=O ZINC001275979941 1013254419 /nfs/dbraw/zinc/25/44/19/1013254419.db2.gz MBHIPTFXLGNCKB-OAHLLOKOSA-N 1 2 353.285 2.711 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2ccncc2Br)C1=O ZINC001276002138 1013271258 /nfs/dbraw/zinc/27/12/58/1013271258.db2.gz DHQGRIBJANLAFZ-INIZCTEOSA-N 1 2 350.260 2.597 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccncc2Br)C1=O ZINC001276002138 1013271265 /nfs/dbraw/zinc/27/12/65/1013271265.db2.gz DHQGRIBJANLAFZ-INIZCTEOSA-N 1 2 350.260 2.597 20 30 FFEDLO C=C[C@H]1CCCCN1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000683779955 962200646 /nfs/dbraw/zinc/20/06/46/962200646.db2.gz BMKISPCRECPVEC-INIZCTEOSA-N 1 2 356.470 2.647 20 30 FFEDLO CCc1c2ccccc2oc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#CCOC ZINC001110174963 1013330791 /nfs/dbraw/zinc/33/07/91/1013330791.db2.gz HKAUDNUQSRTOJK-MNEFBYGVSA-N 1 2 366.461 2.980 20 30 FFEDLO CCc1c2ccccc2oc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#CCOC ZINC001110174963 1013330804 /nfs/dbraw/zinc/33/08/04/1013330804.db2.gz HKAUDNUQSRTOJK-MNEFBYGVSA-N 1 2 366.461 2.980 20 30 FFEDLO C#CCN1C(=O)[C@]2(CC[N@@H+](Cc3csc(Cl)n3)C2)c2ccccc21 ZINC001276039432 1013352466 /nfs/dbraw/zinc/35/24/66/1013352466.db2.gz YTZPGIVEQGZBIP-SFHVURJKSA-N 1 2 357.866 2.920 20 30 FFEDLO C#CCN1C(=O)[C@]2(CC[N@H+](Cc3csc(Cl)n3)C2)c2ccccc21 ZINC001276039432 1013352472 /nfs/dbraw/zinc/35/24/72/1013352472.db2.gz YTZPGIVEQGZBIP-SFHVURJKSA-N 1 2 357.866 2.920 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1F ZINC001110177838 1013366955 /nfs/dbraw/zinc/36/69/55/1013366955.db2.gz KHTBCKBAUSLUIK-NJAFHUGGSA-N 1 2 350.409 2.779 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1F ZINC001110177838 1013366967 /nfs/dbraw/zinc/36/69/67/1013366967.db2.gz KHTBCKBAUSLUIK-NJAFHUGGSA-N 1 2 350.409 2.779 20 30 FFEDLO COc1ccc(Cn2cc(C[NH2+]C3(c4cccc(C#N)c4)CC3)nn2)cc1 ZINC000873093740 1013383146 /nfs/dbraw/zinc/38/31/46/1013383146.db2.gz VIGKVDGGNNWCLI-UHFFFAOYSA-N 1 2 359.433 2.986 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c(F)ccc(C)c1F)C2 ZINC001276085799 1013431680 /nfs/dbraw/zinc/43/16/80/1013431680.db2.gz LPFDZHSUOFSELY-LJQANCHMSA-N 1 2 350.409 2.510 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1c(F)ccc(C)c1F)C2 ZINC001276085799 1013431683 /nfs/dbraw/zinc/43/16/83/1013431683.db2.gz LPFDZHSUOFSELY-LJQANCHMSA-N 1 2 350.409 2.510 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001059092704 964033696 /nfs/dbraw/zinc/03/36/96/964033696.db2.gz AVLYXWGPJUGJQM-WDYCEAGBSA-N 1 2 370.497 2.658 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+](C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000051180177 964282625 /nfs/dbraw/zinc/28/26/25/964282625.db2.gz QWNUFZDDLYGMHL-LJQANCHMSA-N 1 2 361.367 2.831 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+](Cc3csc(C(F)(F)F)n3)CC2)C1=O ZINC001276122080 1013484257 /nfs/dbraw/zinc/48/42/57/1013484257.db2.gz ZOCGALHECQMOOS-MRXNPFEDSA-N 1 2 371.428 3.000 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+](Cc3csc(C(F)(F)F)n3)CC2)C1=O ZINC001276122080 1013484264 /nfs/dbraw/zinc/48/42/64/1013484264.db2.gz ZOCGALHECQMOOS-MRXNPFEDSA-N 1 2 371.428 3.000 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1c(F)cccc1F ZINC000960885398 1013506506 /nfs/dbraw/zinc/50/65/06/1013506506.db2.gz UYLORSIHTLWUJV-CLCXKQKWSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1c(F)cccc1F ZINC000960885398 1013506515 /nfs/dbraw/zinc/50/65/15/1013506515.db2.gz UYLORSIHTLWUJV-CLCXKQKWSA-N 1 2 364.436 2.979 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCOCC3)[C@@H]2C1 ZINC001075740711 964811014 /nfs/dbraw/zinc/81/10/14/964811014.db2.gz CTVIRZSLQIHXAZ-RIFZZMRRSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCOCC3)[C@@H]2C1 ZINC001075740711 964811027 /nfs/dbraw/zinc/81/10/27/964811027.db2.gz CTVIRZSLQIHXAZ-RIFZZMRRSA-N 1 2 371.456 2.547 20 30 FFEDLO CCOc1ccc(CN(C)C(=O)CO[NH+]=C(N)Cc2ccccc2)cc1 ZINC000108444795 965123746 /nfs/dbraw/zinc/12/37/46/965123746.db2.gz YPYSKEKKKVZUAH-UHFFFAOYSA-N 1 2 355.438 2.575 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2cc(C)on2)C1 ZINC001087469603 965307236 /nfs/dbraw/zinc/30/72/36/965307236.db2.gz MMKYAQDOQQHDGT-ICSRJNTNSA-N 1 2 367.449 2.603 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2cc(C)on2)C1 ZINC001087469603 965307244 /nfs/dbraw/zinc/30/72/44/965307244.db2.gz MMKYAQDOQQHDGT-ICSRJNTNSA-N 1 2 367.449 2.603 20 30 FFEDLO C=C(C)CN1CCC2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1=O ZINC001270757001 965880298 /nfs/dbraw/zinc/88/02/98/965880298.db2.gz UITWBNYIOGJOEO-UHFFFAOYSA-N 1 2 352.438 2.594 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000684803793 966342079 /nfs/dbraw/zinc/34/20/79/966342079.db2.gz SSBXVGAKYKWVFN-BJLQDIEVSA-N 1 2 368.481 2.984 20 30 FFEDLO C#C[C@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)[C@H]1CCCO1 ZINC000773557681 1013656138 /nfs/dbraw/zinc/65/61/38/1013656138.db2.gz JMBYIJHSUYLZLR-SLFFLAALSA-N 1 2 366.465 2.721 20 30 FFEDLO C#C[C@@H]1CCCC[N@H+]1Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000934512195 966612427 /nfs/dbraw/zinc/61/24/27/966612427.db2.gz GEWWZTCNSRSYKT-CQSZACIVSA-N 1 2 357.410 2.750 20 30 FFEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000934512195 966612431 /nfs/dbraw/zinc/61/24/31/966612431.db2.gz GEWWZTCNSRSYKT-CQSZACIVSA-N 1 2 357.410 2.750 20 30 FFEDLO CCC(CC)n1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)n1 ZINC001075780179 967225980 /nfs/dbraw/zinc/22/59/80/967225980.db2.gz FMEXKPKRFOODOR-FXAWDEMLSA-N 1 2 354.498 2.690 20 30 FFEDLO CCC(CC)n1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)n1 ZINC001075780179 967225987 /nfs/dbraw/zinc/22/59/87/967225987.db2.gz FMEXKPKRFOODOR-FXAWDEMLSA-N 1 2 354.498 2.690 20 30 FFEDLO CC1(C)CCc2onc(C[N@@H+]3C[C@@H]4CCN(C(=O)C#CC5CC5)[C@@H]4C3)c2C1 ZINC001075780290 967226240 /nfs/dbraw/zinc/22/62/40/967226240.db2.gz HVSZXQHGQQKWSG-QFBILLFUSA-N 1 2 367.493 2.636 20 30 FFEDLO CC1(C)CCc2onc(C[N@H+]3C[C@@H]4CCN(C(=O)C#CC5CC5)[C@@H]4C3)c2C1 ZINC001075780290 967226249 /nfs/dbraw/zinc/22/62/49/967226249.db2.gz HVSZXQHGQQKWSG-QFBILLFUSA-N 1 2 367.493 2.636 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H](C)c2nc(C)no2)C1 ZINC001211585940 967562866 /nfs/dbraw/zinc/56/28/66/967562866.db2.gz AQUUEHFAYIWDKI-AYOQOUSVSA-N 1 2 366.465 2.827 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCOC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087516045 967567960 /nfs/dbraw/zinc/56/79/60/967567960.db2.gz JZBRPVSNPUYWHB-ZYSHUDEJSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCOC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087516045 967567969 /nfs/dbraw/zinc/56/79/69/967567969.db2.gz JZBRPVSNPUYWHB-ZYSHUDEJSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ocnc2C)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001087532483 967789822 /nfs/dbraw/zinc/78/98/22/967789822.db2.gz KUQZUSJHFQTZAB-DLBZAZTESA-N 1 2 356.401 2.777 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ocnc2C)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001087532483 967789833 /nfs/dbraw/zinc/78/98/33/967789833.db2.gz KUQZUSJHFQTZAB-DLBZAZTESA-N 1 2 356.401 2.777 20 30 FFEDLO Cc1ccc([C@H](C/N=C/c2ccc(O)c(O)c2O)[NH+]2CCOCC2)cc1 ZINC000126943638 968170778 /nfs/dbraw/zinc/17/07/78/968170778.db2.gz MJLPTAVXBAADFF-RHLNUJDMSA-N 1 2 356.422 2.604 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(OC)ns2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001087576465 968223825 /nfs/dbraw/zinc/22/38/25/968223825.db2.gz JKCFBFPQVNBREB-DLBZAZTESA-N 1 2 369.490 2.786 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(OC)ns2)CC[N@H+]1CC#Cc1ccccc1 ZINC001087576465 968223831 /nfs/dbraw/zinc/22/38/31/968223831.db2.gz JKCFBFPQVNBREB-DLBZAZTESA-N 1 2 369.490 2.786 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nccn3C)[C@@H]2CC)cc1 ZINC001087627753 968414330 /nfs/dbraw/zinc/41/43/30/968414330.db2.gz GRFVQWISCZLQET-RBUKOAKNSA-N 1 2 368.481 2.768 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nccn3C)[C@@H]2CC)cc1 ZINC001087627753 968414336 /nfs/dbraw/zinc/41/43/36/968414336.db2.gz GRFVQWISCZLQET-RBUKOAKNSA-N 1 2 368.481 2.768 20 30 FFEDLO C=CCCC1(CNC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)CCCC1 ZINC000658521497 968793975 /nfs/dbraw/zinc/79/39/75/968793975.db2.gz HGZSKEUBNHZLLY-UHFFFAOYSA-N 1 2 358.486 2.689 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001177014448 1013830388 /nfs/dbraw/zinc/83/03/88/1013830388.db2.gz YNASMWSBVDOAJN-LIRRHRJNSA-N 1 2 353.397 2.638 20 30 FFEDLO C=CCCC1(CNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCCC1 ZINC000658624319 968926476 /nfs/dbraw/zinc/92/64/76/968926476.db2.gz ZCNLOIFRGUTNSC-GOSISDBHSA-N 1 2 371.481 2.704 20 30 FFEDLO CON=Cc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000255913646 969639821 /nfs/dbraw/zinc/63/98/21/969639821.db2.gz TURYETTYOGBVIE-UHFFFAOYSA-N 1 2 367.449 2.504 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)NC2(c3ccccc3)CCC2)cc1 ZINC000174115457 970381941 /nfs/dbraw/zinc/38/19/41/970381941.db2.gz ILLLDDTUPKLFHR-UHFFFAOYSA-N 1 2 353.422 2.528 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)[C@H]1CC ZINC001087842079 970545536 /nfs/dbraw/zinc/54/55/36/970545536.db2.gz BYOHYEMEIUSKKX-LSDHHAIUSA-N 1 2 359.861 2.807 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)[C@H]1CC ZINC001087842079 970545545 /nfs/dbraw/zinc/54/55/45/970545545.db2.gz BYOHYEMEIUSKKX-LSDHHAIUSA-N 1 2 359.861 2.807 20 30 FFEDLO N#Cc1cccc([C@@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C(F)(F)F)c1 ZINC000875511807 1014037046 /nfs/dbraw/zinc/03/70/46/1014037046.db2.gz XFPFWBLZUXSFPX-UKRRQHHQSA-N 1 2 363.343 2.672 20 30 FFEDLO N#Cc1cccc([C@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C(F)(F)F)c1 ZINC000875511806 1014037400 /nfs/dbraw/zinc/03/74/00/1014037400.db2.gz XFPFWBLZUXSFPX-HIFRSBDPSA-N 1 2 363.343 2.672 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)C[C@@H]32)CC1 ZINC000975769180 973286214 /nfs/dbraw/zinc/28/62/14/973286214.db2.gz WMZKHUZPHOANNB-LPHOPBHVSA-N 1 2 370.497 2.538 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)C[C@@H]32)CC1 ZINC000975769180 973286222 /nfs/dbraw/zinc/28/62/22/973286222.db2.gz WMZKHUZPHOANNB-LPHOPBHVSA-N 1 2 370.497 2.538 20 30 FFEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000876122247 1014137855 /nfs/dbraw/zinc/13/78/55/1014137855.db2.gz ZZCILQYXFFIVHS-UHFFFAOYSA-N 1 2 372.469 2.680 20 30 FFEDLO C=CC[N@H+](Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)[C@H](C)COC ZINC000661242721 973974679 /nfs/dbraw/zinc/97/46/79/973974679.db2.gz SOQXOUVZNFJSPN-CQSZACIVSA-N 1 2 353.426 2.544 20 30 FFEDLO C=CC[N@@H+](Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)[C@H](C)COC ZINC000661242721 973974686 /nfs/dbraw/zinc/97/46/86/973974686.db2.gz SOQXOUVZNFJSPN-CQSZACIVSA-N 1 2 353.426 2.544 20 30 FFEDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000796549384 1014268938 /nfs/dbraw/zinc/26/89/38/1014268938.db2.gz CYPDUKDJSULQES-INIZCTEOSA-N 1 2 369.425 2.661 20 30 FFEDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000796549384 1014268946 /nfs/dbraw/zinc/26/89/46/1014268946.db2.gz CYPDUKDJSULQES-INIZCTEOSA-N 1 2 369.425 2.661 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2COc3ccc(F)cc3C2)[C@H]1C ZINC001088745074 975702262 /nfs/dbraw/zinc/70/22/62/975702262.db2.gz IXODVZZHRJFRBZ-XPKDYRNWSA-N 1 2 352.837 2.708 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COc3ccc(F)cc3C2)[C@H]1C ZINC001088745074 975702271 /nfs/dbraw/zinc/70/22/71/975702271.db2.gz IXODVZZHRJFRBZ-XPKDYRNWSA-N 1 2 352.837 2.708 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2occ3c2CCOC3)CC[N@@H+]1Cc1ccccc1C#N ZINC001088773300 976093616 /nfs/dbraw/zinc/09/36/16/976093616.db2.gz DAWHWFKERRSZRB-KUHUBIRLSA-N 1 2 365.433 2.617 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2occ3c2CCOC3)CC[N@H+]1Cc1ccccc1C#N ZINC001088773300 976093628 /nfs/dbraw/zinc/09/36/28/976093628.db2.gz DAWHWFKERRSZRB-KUHUBIRLSA-N 1 2 365.433 2.617 20 30 FFEDLO N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)o1 ZINC000898490523 976496348 /nfs/dbraw/zinc/49/63/48/976496348.db2.gz SLGQIYZLUVTNPD-MRXNPFEDSA-N 1 2 371.412 2.894 20 30 FFEDLO N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)o1 ZINC000898490523 976496358 /nfs/dbraw/zinc/49/63/58/976496358.db2.gz SLGQIYZLUVTNPD-MRXNPFEDSA-N 1 2 371.412 2.894 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000981633728 976664690 /nfs/dbraw/zinc/66/46/90/976664690.db2.gz ZAEPRNOOXOHIDG-DZOHQFGASA-N 1 2 370.497 2.661 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000981633728 976664694 /nfs/dbraw/zinc/66/46/94/976664694.db2.gz ZAEPRNOOXOHIDG-DZOHQFGASA-N 1 2 370.497 2.661 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)cs1 ZINC001088814846 976837278 /nfs/dbraw/zinc/83/72/78/976837278.db2.gz LYIYNDKDHMDCKU-BZNIZROVSA-N 1 2 358.442 2.855 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)cs1 ZINC001088814846 976837281 /nfs/dbraw/zinc/83/72/81/976837281.db2.gz LYIYNDKDHMDCKU-BZNIZROVSA-N 1 2 358.442 2.855 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)cn2)CC1 ZINC000982134873 977292127 /nfs/dbraw/zinc/29/21/27/977292127.db2.gz KUIYRHPUUNIRAW-OALUTQOASA-N 1 2 361.461 2.626 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)cn2)CC1 ZINC000982134873 977292133 /nfs/dbraw/zinc/29/21/33/977292133.db2.gz KUIYRHPUUNIRAW-OALUTQOASA-N 1 2 361.461 2.626 20 30 FFEDLO Cc1ccccc1-c1cnc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)o1 ZINC001075615837 977311744 /nfs/dbraw/zinc/31/17/44/977311744.db2.gz AMARREQXQHIXLU-XYJFISCASA-N 1 2 364.449 2.842 20 30 FFEDLO Cc1ccccc1-c1cnc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)o1 ZINC001075615837 977311753 /nfs/dbraw/zinc/31/17/53/977311753.db2.gz AMARREQXQHIXLU-XYJFISCASA-N 1 2 364.449 2.842 20 30 FFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924769660 977428839 /nfs/dbraw/zinc/42/88/39/977428839.db2.gz ZYEUJHCRXVNVFU-UHFFFAOYSA-N 1 2 369.494 2.974 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC(C)(C)CO3)[C@@H]2C1 ZINC001076028969 977452856 /nfs/dbraw/zinc/45/28/56/977452856.db2.gz BIQQJYUFLFEECJ-RRFJBIMHSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC(C)(C)CO3)[C@@H]2C1 ZINC001076028969 977452857 /nfs/dbraw/zinc/45/28/57/977452857.db2.gz BIQQJYUFLFEECJ-RRFJBIMHSA-N 1 2 371.319 2.633 20 30 FFEDLO C=CCN(C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)[C@@H](C)COC ZINC000664252186 978440097 /nfs/dbraw/zinc/44/00/97/978440097.db2.gz IYZISQVCISAIBV-FUHWJXTLSA-N 1 2 356.470 2.936 20 30 FFEDLO Cn1cc2c(n1)C[N@@H+](Cc1ccc(OCC#N)cc1)C[C@@H]2COCC1CC1 ZINC001137116580 1014494978 /nfs/dbraw/zinc/49/49/78/1014494978.db2.gz JLZDIBKTUCIIIJ-GOSISDBHSA-N 1 2 366.465 2.848 20 30 FFEDLO Cn1cc2c(n1)C[N@H+](Cc1ccc(OCC#N)cc1)C[C@@H]2COCC1CC1 ZINC001137116580 1014494987 /nfs/dbraw/zinc/49/49/87/1014494987.db2.gz JLZDIBKTUCIIIJ-GOSISDBHSA-N 1 2 366.465 2.848 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(F)c(F)c3O)C2=O)cc1 ZINC000877184210 1014502630 /nfs/dbraw/zinc/50/26/30/1014502630.db2.gz KGQUYEZKSULMSM-MRXNPFEDSA-N 1 2 357.360 2.827 20 30 FFEDLO C[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21)C(F)(F)F ZINC001076130664 979137714 /nfs/dbraw/zinc/13/77/14/979137714.db2.gz WRPJRTQPZJKZNX-PVXIVEMSSA-N 1 2 369.362 2.928 20 30 FFEDLO C[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21)C(F)(F)F ZINC001076130664 979137715 /nfs/dbraw/zinc/13/77/15/979137715.db2.gz WRPJRTQPZJKZNX-PVXIVEMSSA-N 1 2 369.362 2.928 20 30 FFEDLO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ncc(C(C)C)o4)C[C@H]32)c1 ZINC001076222990 979243612 /nfs/dbraw/zinc/24/36/12/979243612.db2.gz CBNADBVIINCJNZ-FUHWJXTLSA-N 1 2 364.449 2.521 20 30 FFEDLO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+](Cc4ncc(C(C)C)o4)C[C@H]32)c1 ZINC001076222990 979243624 /nfs/dbraw/zinc/24/36/24/979243624.db2.gz CBNADBVIINCJNZ-FUHWJXTLSA-N 1 2 364.449 2.521 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccco3)[C@@H]2C1 ZINC001076234455 979264977 /nfs/dbraw/zinc/26/49/77/979264977.db2.gz FVLCSLIJBCQTBB-MELADBBJSA-N 1 2 353.260 2.824 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccco3)[C@@H]2C1 ZINC001076234455 979264983 /nfs/dbraw/zinc/26/49/83/979264983.db2.gz FVLCSLIJBCQTBB-MELADBBJSA-N 1 2 353.260 2.824 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3[nH]nc(C(F)(F)F)c3C)[C@@H]2C1 ZINC001076322397 979380130 /nfs/dbraw/zinc/38/01/30/979380130.db2.gz VMOMZXQFUJHZRV-WDEREUQCSA-N 1 2 362.783 2.636 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3[nH]nc(C(F)(F)F)c3C)[C@@H]2C1 ZINC001076322397 979380134 /nfs/dbraw/zinc/38/01/34/979380134.db2.gz VMOMZXQFUJHZRV-WDEREUQCSA-N 1 2 362.783 2.636 20 30 FFEDLO Cc1conc1C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001076435668 979497293 /nfs/dbraw/zinc/49/72/93/979497293.db2.gz BHSFJDQEZQZNHR-FUHWJXTLSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1conc1C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001076435668 979497295 /nfs/dbraw/zinc/49/72/95/979497295.db2.gz BHSFJDQEZQZNHR-FUHWJXTLSA-N 1 2 369.852 2.834 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccn3CC)[C@@H]2C1 ZINC001076575411 979664539 /nfs/dbraw/zinc/66/45/39/979664539.db2.gz PLYBBGASDMZORO-DZGCQCFKSA-N 1 2 352.276 2.563 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccn3CC)[C@@H]2C1 ZINC001076575411 979664542 /nfs/dbraw/zinc/66/45/42/979664542.db2.gz PLYBBGASDMZORO-DZGCQCFKSA-N 1 2 352.276 2.563 20 30 FFEDLO Cc1ncc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)s1 ZINC001088488495 979875140 /nfs/dbraw/zinc/87/51/40/979875140.db2.gz HAGZLULGQHJKKX-DYVFJYSZSA-N 1 2 357.454 2.835 20 30 FFEDLO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)s1 ZINC001088488495 979875145 /nfs/dbraw/zinc/87/51/45/979875145.db2.gz HAGZLULGQHJKKX-DYVFJYSZSA-N 1 2 357.454 2.835 20 30 FFEDLO Cc1ccccc1[C@H](O)C1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000796431807 1014616173 /nfs/dbraw/zinc/61/61/73/1014616173.db2.gz RZRVIQHIJPVQRU-NHCUHLMSSA-N 1 2 363.461 2.839 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C#N)n(C)c2)s1 ZINC001272260732 980129885 /nfs/dbraw/zinc/12/98/85/980129885.db2.gz KUHWUYYIHWSSTN-IYBDPMFKSA-N 1 2 354.479 2.756 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C#N)n(C)c2)s1 ZINC001272260732 980129892 /nfs/dbraw/zinc/12/98/92/980129892.db2.gz KUHWUYYIHWSSTN-IYBDPMFKSA-N 1 2 354.479 2.756 20 30 FFEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1)C(=O)OC ZINC000877582941 1014634338 /nfs/dbraw/zinc/63/43/38/1014634338.db2.gz IQMRESDXLXDGKO-VVLHAWIVSA-N 1 2 364.486 2.709 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccncc2F)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088504008 980183444 /nfs/dbraw/zinc/18/34/44/980183444.db2.gz NBXIQWUONJHDPJ-XIKOKIGWSA-N 1 2 356.376 2.624 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccncc2F)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088504008 980183448 /nfs/dbraw/zinc/18/34/48/980183448.db2.gz NBXIQWUONJHDPJ-XIKOKIGWSA-N 1 2 356.376 2.624 20 30 FFEDLO CO[C@@H]1C[C@@H]2C[N@H+](Cc3cc(C#N)cnc3Cl)Cc3cccnc3N2C1 ZINC000877691878 1014685981 /nfs/dbraw/zinc/68/59/81/1014685981.db2.gz QMSYUTJJDLJXOJ-IAGOWNOFSA-N 1 2 369.856 2.611 20 30 FFEDLO CO[C@@H]1C[C@@H]2C[N@@H+](Cc3cc(C#N)cnc3Cl)Cc3cccnc3N2C1 ZINC000877691878 1014685984 /nfs/dbraw/zinc/68/59/84/1014685984.db2.gz QMSYUTJJDLJXOJ-IAGOWNOFSA-N 1 2 369.856 2.611 20 30 FFEDLO C=C[C@H](C(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC001168202104 981060324 /nfs/dbraw/zinc/06/03/24/981060324.db2.gz CEGXFZAXVPXSJE-VXKWHMMOSA-N 1 2 363.505 2.889 20 30 FFEDLO C=C[C@H](C(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001168202104 981060329 /nfs/dbraw/zinc/06/03/29/981060329.db2.gz CEGXFZAXVPXSJE-VXKWHMMOSA-N 1 2 363.505 2.889 20 30 FFEDLO Cc1ccsc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)n(C)c1 ZINC001272264616 981102222 /nfs/dbraw/zinc/10/22/22/981102222.db2.gz WEVWBIGMYTYIDO-IYBDPMFKSA-N 1 2 354.479 2.756 20 30 FFEDLO Cc1ccsc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)n(C)c1 ZINC001272264616 981102225 /nfs/dbraw/zinc/10/22/25/981102225.db2.gz WEVWBIGMYTYIDO-IYBDPMFKSA-N 1 2 354.479 2.756 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000907948036 981330602 /nfs/dbraw/zinc/33/06/02/981330602.db2.gz LTSLBUXWJXFJIL-MJGOQNOKSA-N 1 2 354.454 2.706 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1OC ZINC001212023956 981460416 /nfs/dbraw/zinc/46/04/16/981460416.db2.gz FTVABTIBUCJNPP-HZPDHXFCSA-N 1 2 356.388 2.987 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1OC ZINC001212023956 981460419 /nfs/dbraw/zinc/46/04/19/981460419.db2.gz FTVABTIBUCJNPP-HZPDHXFCSA-N 1 2 356.388 2.987 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(F)(F)C2)[C@H]1C ZINC001088609430 981499572 /nfs/dbraw/zinc/49/95/72/981499572.db2.gz UBNBNTOBBRAWKC-WOPDTQHZSA-N 1 2 351.235 2.909 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(F)(F)C2)[C@H]1C ZINC001088609430 981499578 /nfs/dbraw/zinc/49/95/78/981499578.db2.gz UBNBNTOBBRAWKC-WOPDTQHZSA-N 1 2 351.235 2.909 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnc(C3CC3)o2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088629143 982020017 /nfs/dbraw/zinc/02/00/17/982020017.db2.gz GGPGYLMOIFGLBE-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnc(C3CC3)o2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088629143 982020023 /nfs/dbraw/zinc/02/00/23/982020023.db2.gz GGPGYLMOIFGLBE-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)o3)[C@@H]2C)cc1 ZINC001088671725 982271906 /nfs/dbraw/zinc/27/19/06/982271906.db2.gz UDAITSLFPIKMLQ-QAPCUYQASA-N 1 2 355.438 2.941 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)o3)[C@@H]2C)cc1 ZINC001088671725 982271910 /nfs/dbraw/zinc/27/19/10/982271910.db2.gz UDAITSLFPIKMLQ-QAPCUYQASA-N 1 2 355.438 2.941 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H]3CCC4(CCOCC4)CO3)CCO2)c1 ZINC000878322243 1014985333 /nfs/dbraw/zinc/98/53/33/1014985333.db2.gz HOQKSBQMNHUDQP-VQTJNVASSA-N 1 2 356.466 2.907 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H]3CCC4(CCOCC4)CO3)CCO2)c1 ZINC000878322243 1014985340 /nfs/dbraw/zinc/98/53/40/1014985340.db2.gz HOQKSBQMNHUDQP-VQTJNVASSA-N 1 2 356.466 2.907 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ncnn2CCC)CC3)C1 ZINC001107543649 984659793 /nfs/dbraw/zinc/65/97/93/984659793.db2.gz RCAHVEQIXJPOAO-DYESRHJHSA-N 1 2 371.529 2.905 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@]23CCC[C@H]2[N@@H+](Cc2ncnn2CCC)CC3)C1 ZINC001107543649 984659797 /nfs/dbraw/zinc/65/97/97/984659797.db2.gz RCAHVEQIXJPOAO-DYESRHJHSA-N 1 2 371.529 2.905 20 30 FFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878490501 1015067430 /nfs/dbraw/zinc/06/74/30/1015067430.db2.gz MLLHKTGOLPCTTI-GZMOKQHVSA-N 1 2 354.450 2.701 20 30 FFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878490501 1015067436 /nfs/dbraw/zinc/06/74/36/1015067436.db2.gz MLLHKTGOLPCTTI-GZMOKQHVSA-N 1 2 354.450 2.701 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N2CCCc3ccccc32)cc1 ZINC000060455512 984912325 /nfs/dbraw/zinc/91/23/25/984912325.db2.gz HAYIIIZSBIKOFU-UHFFFAOYSA-N 1 2 353.422 2.506 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2nccc3[nH]ccc32)[C@H]1C ZINC001088867010 985153561 /nfs/dbraw/zinc/15/35/61/985153561.db2.gz XZTHRVBTSDPPST-YPMHNXCESA-N 1 2 363.259 2.664 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2nccc3[nH]ccc32)[C@H]1C ZINC001088867010 985153567 /nfs/dbraw/zinc/15/35/67/985153567.db2.gz XZTHRVBTSDPPST-YPMHNXCESA-N 1 2 363.259 2.664 20 30 FFEDLO Cn1cc(CNC(=O)c2cccc3[nH+]ccn32)c(-c2ccc(C#N)cc2)n1 ZINC001127890497 985176204 /nfs/dbraw/zinc/17/62/04/985176204.db2.gz FWHIJMCRAHDRFL-UHFFFAOYSA-N 1 2 356.389 2.536 20 30 FFEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[C@H]2c2ccncc2)c1 ZINC001032410591 985253445 /nfs/dbraw/zinc/25/34/45/985253445.db2.gz KSZSLXCZVCTLTK-XSDIEEQYSA-N 1 2 358.445 2.542 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[C@H]2c2ccncc2)c1 ZINC001032410591 985253449 /nfs/dbraw/zinc/25/34/49/985253449.db2.gz KSZSLXCZVCTLTK-XSDIEEQYSA-N 1 2 358.445 2.542 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(F)cccc2NC(C)=O)[C@H]1C ZINC001088896230 985360674 /nfs/dbraw/zinc/36/06/74/985360674.db2.gz WDLJROMLZYJHMA-RISCZKNCSA-N 1 2 353.825 2.729 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(F)cccc2NC(C)=O)[C@H]1C ZINC001088896230 985360688 /nfs/dbraw/zinc/36/06/88/985360688.db2.gz WDLJROMLZYJHMA-RISCZKNCSA-N 1 2 353.825 2.729 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nccs3)[C@@H]2C)cc1 ZINC001088906493 985412858 /nfs/dbraw/zinc/41/28/58/985412858.db2.gz XVTZEZLQVQFOAK-PBHICJAKSA-N 1 2 355.463 2.548 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nccs3)[C@@H]2C)cc1 ZINC001088906493 985412864 /nfs/dbraw/zinc/41/28/64/985412864.db2.gz XVTZEZLQVQFOAK-PBHICJAKSA-N 1 2 355.463 2.548 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001088914282 985439041 /nfs/dbraw/zinc/43/90/41/985439041.db2.gz UFGQIOHDZWXINU-DPZWOIPNSA-N 1 2 371.456 2.758 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001088914282 985439046 /nfs/dbraw/zinc/43/90/46/985439046.db2.gz UFGQIOHDZWXINU-DPZWOIPNSA-N 1 2 371.456 2.758 20 30 FFEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168421192 985509987 /nfs/dbraw/zinc/50/99/87/985509987.db2.gz PGXKXAVHUXACHN-WOJBJXKFSA-N 1 2 352.409 2.929 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)o1 ZINC001088959694 985622864 /nfs/dbraw/zinc/62/28/64/985622864.db2.gz RQOYPYDPNTYTHU-DYVFJYSZSA-N 1 2 370.428 2.949 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)o1 ZINC001088959694 985622871 /nfs/dbraw/zinc/62/28/71/985622871.db2.gz RQOYPYDPNTYTHU-DYVFJYSZSA-N 1 2 370.428 2.949 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)cc3F)[C@@H]2C)cn1 ZINC001088990780 985787907 /nfs/dbraw/zinc/78/79/07/985787907.db2.gz PLRAZBOYMFLQPG-YJYMSZOUSA-N 1 2 355.388 2.734 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)cc3F)[C@@H]2C)cn1 ZINC001088990780 985787918 /nfs/dbraw/zinc/78/79/18/985787918.db2.gz PLRAZBOYMFLQPG-YJYMSZOUSA-N 1 2 355.388 2.734 20 30 FFEDLO CN(C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000173835718 986005082 /nfs/dbraw/zinc/00/50/82/986005082.db2.gz CZVIUBLRQRDHLI-KRWDZBQOSA-N 1 2 372.469 2.828 20 30 FFEDLO CN(C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000173835718 986005095 /nfs/dbraw/zinc/00/50/95/986005095.db2.gz CZVIUBLRQRDHLI-KRWDZBQOSA-N 1 2 372.469 2.828 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001089052380 986132756 /nfs/dbraw/zinc/13/27/56/986132756.db2.gz AINCWXRLFHZVCA-BEFAXECRSA-N 1 2 355.869 2.841 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001089052380 986132759 /nfs/dbraw/zinc/13/27/59/986132759.db2.gz AINCWXRLFHZVCA-BEFAXECRSA-N 1 2 355.869 2.841 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001007357510 1015191782 /nfs/dbraw/zinc/19/17/82/1015191782.db2.gz QBIFKNWBFGICDS-SUMDDJOVSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001007357510 1015191787 /nfs/dbraw/zinc/19/17/87/1015191787.db2.gz QBIFKNWBFGICDS-SUMDDJOVSA-N 1 2 359.470 2.614 20 30 FFEDLO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@H+](Cc3nocc3C)[C@@H]2C)cc1 ZINC001089065079 986150783 /nfs/dbraw/zinc/15/07/83/986150783.db2.gz MKFCBYRLYRIOIW-APWZRJJASA-N 1 2 369.465 2.870 20 30 FFEDLO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@@H+](Cc3nocc3C)[C@@H]2C)cc1 ZINC001089065079 986150789 /nfs/dbraw/zinc/15/07/89/986150789.db2.gz MKFCBYRLYRIOIW-APWZRJJASA-N 1 2 369.465 2.870 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001007528567 1015288948 /nfs/dbraw/zinc/28/89/48/1015288948.db2.gz FKPMXGWKKIAWPV-AYBZRNKSSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001007528567 1015288956 /nfs/dbraw/zinc/28/89/56/1015288956.db2.gz FKPMXGWKKIAWPV-AYBZRNKSSA-N 1 2 359.445 2.593 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001061040502 987251730 /nfs/dbraw/zinc/25/17/30/987251730.db2.gz CXBKYAGPUJLCHI-BRWVUGGUSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001061040502 987251734 /nfs/dbraw/zinc/25/17/34/987251734.db2.gz CXBKYAGPUJLCHI-BRWVUGGUSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CCCC(=O)NCc1ccccc1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001060484581 987609746 /nfs/dbraw/zinc/60/97/46/987609746.db2.gz LSJHUQIBZFQJLC-QZTJIDSGSA-N 1 2 366.465 2.754 20 30 FFEDLO C=CCCC(=O)NCc1ccccc1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001060484581 987609748 /nfs/dbraw/zinc/60/97/48/987609748.db2.gz LSJHUQIBZFQJLC-QZTJIDSGSA-N 1 2 366.465 2.754 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673289837 987980024 /nfs/dbraw/zinc/98/00/24/987980024.db2.gz WTKLAYIDNXDYEI-SFHVURJKSA-N 1 2 369.490 2.566 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000673289837 987980029 /nfs/dbraw/zinc/98/00/29/987980029.db2.gz WTKLAYIDNXDYEI-SFHVURJKSA-N 1 2 369.490 2.566 20 30 FFEDLO CCCCOc1cccc(CNC(=O)CO[NH+]=C(N)c2ccc(F)cc2)c1 ZINC000762663393 988563929 /nfs/dbraw/zinc/56/39/29/988563929.db2.gz DNTZJMZGIIORAK-UHFFFAOYSA-N 1 2 373.428 2.958 20 30 FFEDLO C#CC[C@]1(C(=O)OCc2ccc[nH+]c2N)CCCN1C(=O)OC(C)(C)C ZINC000922737285 988851999 /nfs/dbraw/zinc/85/19/99/988851999.db2.gz PXXJAJSWLYSWRW-LJQANCHMSA-N 1 2 359.426 2.500 20 30 FFEDLO CN(C(=O)[C@@H]1CCO[C@H]1C1CC1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033284466 989488414 /nfs/dbraw/zinc/48/84/14/989488414.db2.gz XODVJFBTVSTGOG-ZCNNSNEGSA-N 1 2 371.456 2.545 20 30 FFEDLO CN(C(=O)[C@@H]1CCO[C@H]1C1CC1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033284466 989488424 /nfs/dbraw/zinc/48/84/24/989488424.db2.gz XODVJFBTVSTGOG-ZCNNSNEGSA-N 1 2 371.456 2.545 20 30 FFEDLO N#CCOc1ccc(CNC(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000916487481 989806699 /nfs/dbraw/zinc/80/66/99/989806699.db2.gz HUFPVYGCESSKPN-UHFFFAOYSA-N 1 2 365.437 2.770 20 30 FFEDLO CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1=O ZINC000917364409 990202728 /nfs/dbraw/zinc/20/27/28/990202728.db2.gz GALVLCIYVLFNAO-RDTXWAMCSA-N 1 2 363.462 2.536 20 30 FFEDLO CC(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031680121 990942317 /nfs/dbraw/zinc/94/23/17/990942317.db2.gz UGSQLWOPVNXFDF-PMACEKPBSA-N 1 2 355.482 2.557 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001487135684 990954429 /nfs/dbraw/zinc/95/44/29/990954429.db2.gz ZVXGHGPODKFNPT-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001487135684 990954434 /nfs/dbraw/zinc/95/44/34/990954434.db2.gz ZVXGHGPODKFNPT-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)cc1 ZINC000179979140 991387326 /nfs/dbraw/zinc/38/73/26/991387326.db2.gz QZGCSHCBSJQAQM-GOSISDBHSA-N 1 2 363.461 2.864 20 30 FFEDLO N#Cc1cccnc1NCC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001063303014 991436067 /nfs/dbraw/zinc/43/60/67/991436067.db2.gz JADFNIOTDSZCHT-DJIMGWMZSA-N 1 2 364.453 2.521 20 30 FFEDLO N#Cc1cccnc1NCC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001063303014 991436073 /nfs/dbraw/zinc/43/60/73/991436073.db2.gz JADFNIOTDSZCHT-DJIMGWMZSA-N 1 2 364.453 2.521 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2oc(CC)nc2C)C[C@H]1OC ZINC001212320862 991670957 /nfs/dbraw/zinc/67/09/57/991670957.db2.gz GEVWJTOKVLQSDP-SJLPKXTDSA-N 1 2 361.486 2.629 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2oc(CC)nc2C)C[C@H]1OC ZINC001212320862 991670961 /nfs/dbraw/zinc/67/09/61/991670961.db2.gz GEVWJTOKVLQSDP-SJLPKXTDSA-N 1 2 361.486 2.629 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccc(O)cc3)CC2)c(F)c1 ZINC000796514434 1015651377 /nfs/dbraw/zinc/65/13/77/1015651377.db2.gz LFAPDHDUGPBUAD-UHFFFAOYSA-N 1 2 369.396 2.885 20 30 FFEDLO C=CCCOCCCCC(=O)N1CC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21 ZINC001090341618 991734439 /nfs/dbraw/zinc/73/44/39/991734439.db2.gz FYCXHCVYDZEAGI-ZWKOTPCHSA-N 1 2 358.486 2.585 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001079720099 992357197 /nfs/dbraw/zinc/35/71/97/992357197.db2.gz UXPHDJFNQCLVCO-DMSXTEQDSA-N 1 2 371.456 2.615 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001079720099 992357204 /nfs/dbraw/zinc/35/72/04/992357204.db2.gz UXPHDJFNQCLVCO-DMSXTEQDSA-N 1 2 371.456 2.615 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001079721205 992359702 /nfs/dbraw/zinc/35/97/02/992359702.db2.gz SKSMPOAKBHKETB-KONPQCLYSA-N 1 2 361.486 2.716 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001079721205 992359714 /nfs/dbraw/zinc/35/97/14/992359714.db2.gz SKSMPOAKBHKETB-KONPQCLYSA-N 1 2 361.486 2.716 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cnc(C2CC2)o1 ZINC001079872341 992514101 /nfs/dbraw/zinc/51/41/01/992514101.db2.gz JKRQHACFWTZTHZ-RDTXWAMCSA-N 1 2 367.424 2.793 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cnc(C2CC2)o1 ZINC001079872341 992514112 /nfs/dbraw/zinc/51/41/12/992514112.db2.gz JKRQHACFWTZTHZ-RDTXWAMCSA-N 1 2 367.424 2.793 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC001031987511 992520258 /nfs/dbraw/zinc/52/02/58/992520258.db2.gz QXPSKOAFPNAITL-LXZKKBNFSA-N 1 2 355.438 2.528 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccn(CC)n3)C[C@H]2C)cc1 ZINC001079977860 992637893 /nfs/dbraw/zinc/63/78/93/992637893.db2.gz NQFIHUBUWCPHII-OXQOHEQNSA-N 1 2 368.481 2.718 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccn(CC)n3)C[C@H]2C)cc1 ZINC001079977860 992637898 /nfs/dbraw/zinc/63/78/98/992637898.db2.gz NQFIHUBUWCPHII-OXQOHEQNSA-N 1 2 368.481 2.718 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]2C)cc1 ZINC001079977745 992638178 /nfs/dbraw/zinc/63/81/78/992638178.db2.gz HUFRMTAYNQKIKV-AUUYWEPGSA-N 1 2 355.438 2.798 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3coc(C)n3)C[C@H]2C)cc1 ZINC001079977745 992638179 /nfs/dbraw/zinc/63/81/79/992638179.db2.gz HUFRMTAYNQKIKV-AUUYWEPGSA-N 1 2 355.438 2.798 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCOc3c(F)cccc32)C1 ZINC001080098162 992732379 /nfs/dbraw/zinc/73/23/79/992732379.db2.gz HYLSZWKUGPPOFY-DJSGYFEHSA-N 1 2 352.837 2.881 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCOc3c(F)cccc32)C1 ZINC001080098162 992732387 /nfs/dbraw/zinc/73/23/87/992732387.db2.gz HYLSZWKUGPPOFY-DJSGYFEHSA-N 1 2 352.837 2.881 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC001080154568 992776370 /nfs/dbraw/zinc/77/63/70/992776370.db2.gz ZTYWBNSJJYZEEN-AXUOBQJMSA-N 1 2 362.901 2.966 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC001080154568 992776378 /nfs/dbraw/zinc/77/63/78/992776378.db2.gz ZTYWBNSJJYZEEN-AXUOBQJMSA-N 1 2 362.901 2.966 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2CCCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000943504597 993027779 /nfs/dbraw/zinc/02/77/79/993027779.db2.gz UQHPIVPBZRPHNJ-KZNAEPCWSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2CCCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000943504597 993027786 /nfs/dbraw/zinc/02/77/86/993027786.db2.gz UQHPIVPBZRPHNJ-KZNAEPCWSA-N 1 2 370.497 2.757 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1conc1C1CC1 ZINC001080420806 993046344 /nfs/dbraw/zinc/04/63/44/993046344.db2.gz FTWHQUNBPWPYLL-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1conc1C1CC1 ZINC001080420806 993046350 /nfs/dbraw/zinc/04/63/50/993046350.db2.gz FTWHQUNBPWPYLL-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1ocnc1C1CC1 ZINC001080438218 993056090 /nfs/dbraw/zinc/05/60/90/993056090.db2.gz MPWAWVOSXPAHBE-RDTXWAMCSA-N 1 2 367.424 2.793 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1ocnc1C1CC1 ZINC001080438218 993056097 /nfs/dbraw/zinc/05/60/97/993056097.db2.gz MPWAWVOSXPAHBE-RDTXWAMCSA-N 1 2 367.424 2.793 20 30 FFEDLO Cc1ncc(Cl)c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)n1 ZINC001080562318 993168826 /nfs/dbraw/zinc/16/88/26/993168826.db2.gz RUHGCDDPFLNLLW-SJKOYZFVSA-N 1 2 369.856 2.560 20 30 FFEDLO Cc1ncc(Cl)c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)n1 ZINC001080562318 993168829 /nfs/dbraw/zinc/16/88/29/993168829.db2.gz RUHGCDDPFLNLLW-SJKOYZFVSA-N 1 2 369.856 2.560 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2noc3ccc(F)cc23)C1 ZINC001080600484 993220010 /nfs/dbraw/zinc/22/00/10/993220010.db2.gz FDCUBWUJACHFMG-MEBBXXQBSA-N 1 2 351.809 2.698 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2noc3ccc(F)cc23)C1 ZINC001080600484 993220011 /nfs/dbraw/zinc/22/00/11/993220011.db2.gz FDCUBWUJACHFMG-MEBBXXQBSA-N 1 2 351.809 2.698 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)c(C)o1 ZINC001080600751 993220540 /nfs/dbraw/zinc/22/05/40/993220540.db2.gz QLZOPRNRFPLYLE-SJKOYZFVSA-N 1 2 370.428 2.807 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)c(C)o1 ZINC001080600751 993220548 /nfs/dbraw/zinc/22/05/48/993220548.db2.gz QLZOPRNRFPLYLE-SJKOYZFVSA-N 1 2 370.428 2.807 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cnoc1C1CC1 ZINC001080707467 993299398 /nfs/dbraw/zinc/29/93/98/993299398.db2.gz JOPQAUJJXFQXHG-FZKQIMNGSA-N 1 2 350.422 2.674 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cnoc1C1CC1 ZINC001080707467 993299403 /nfs/dbraw/zinc/29/94/03/993299403.db2.gz JOPQAUJJXFQXHG-FZKQIMNGSA-N 1 2 350.422 2.674 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001080729685 993312739 /nfs/dbraw/zinc/31/27/39/993312739.db2.gz QEGNDIYIGZNCJB-BDJLRTHQSA-N 1 2 366.303 2.852 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001080729685 993312746 /nfs/dbraw/zinc/31/27/46/993312746.db2.gz QEGNDIYIGZNCJB-BDJLRTHQSA-N 1 2 366.303 2.852 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1ncoc1C1CC1 ZINC001080723725 993332074 /nfs/dbraw/zinc/33/20/74/993332074.db2.gz PIFSWNPTEMRKGA-SJKOYZFVSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1ncoc1C1CC1 ZINC001080723725 993332080 /nfs/dbraw/zinc/33/20/80/993332080.db2.gz PIFSWNPTEMRKGA-SJKOYZFVSA-N 1 2 368.412 2.813 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2cccnc2)C1 ZINC001080800086 993361306 /nfs/dbraw/zinc/36/13/06/993361306.db2.gz CBUOEBOBJLFPEJ-UXIGCNINSA-N 1 2 352.276 2.530 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2cccnc2)C1 ZINC001080800086 993361309 /nfs/dbraw/zinc/36/13/09/993361309.db2.gz CBUOEBOBJLFPEJ-UXIGCNINSA-N 1 2 352.276 2.530 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(O)ccc3Cl)C[C@H]2C)nc1 ZINC001080810658 993386383 /nfs/dbraw/zinc/38/63/83/993386383.db2.gz WSTCDCREMAPUOI-BFUOFWGJSA-N 1 2 369.852 2.672 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cc(O)ccc3Cl)C[C@H]2C)nc1 ZINC001080810658 993386392 /nfs/dbraw/zinc/38/63/92/993386392.db2.gz WSTCDCREMAPUOI-BFUOFWGJSA-N 1 2 369.852 2.672 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC001080882907 993453681 /nfs/dbraw/zinc/45/36/81/993453681.db2.gz ZZENWGNOADLRDG-AUUYWEPGSA-N 1 2 359.433 2.685 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC001080882907 993453684 /nfs/dbraw/zinc/45/36/84/993453684.db2.gz ZZENWGNOADLRDG-AUUYWEPGSA-N 1 2 359.433 2.685 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccccc2C)C1 ZINC001080916973 993473808 /nfs/dbraw/zinc/47/38/08/993473808.db2.gz RCMUSKGATAMMOV-CZUORRHYSA-N 1 2 351.288 2.883 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccccc2C)C1 ZINC001080916973 993473813 /nfs/dbraw/zinc/47/38/13/993473813.db2.gz RCMUSKGATAMMOV-CZUORRHYSA-N 1 2 351.288 2.883 20 30 FFEDLO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@@H+](Cc3nocc3C)C[C@H]2C)cc1 ZINC001081011211 993534265 /nfs/dbraw/zinc/53/42/65/993534265.db2.gz NCXVTGBKCJMSLM-DNVCBOLYSA-N 1 2 369.465 2.727 20 30 FFEDLO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+](Cc3nocc3C)C[C@H]2C)cc1 ZINC001081011211 993534271 /nfs/dbraw/zinc/53/42/71/993534271.db2.gz NCXVTGBKCJMSLM-DNVCBOLYSA-N 1 2 369.465 2.727 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C=C1CCCCC1 ZINC001081418255 993827090 /nfs/dbraw/zinc/82/70/90/993827090.db2.gz MDZXKAYHNIDWEW-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C=C1CCCCC1 ZINC001081418255 993827095 /nfs/dbraw/zinc/82/70/95/993827095.db2.gz MDZXKAYHNIDWEW-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1CCCCCC1 ZINC001081432608 993833212 /nfs/dbraw/zinc/83/32/12/993833212.db2.gz MMKCHTAIAMSLJF-WOJBJXKFSA-N 1 2 355.482 2.844 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1CCCCCC1 ZINC001081432608 993833216 /nfs/dbraw/zinc/83/32/16/993833216.db2.gz MMKCHTAIAMSLJF-WOJBJXKFSA-N 1 2 355.482 2.844 20 30 FFEDLO C#CC[C@]1(C(=O)NCCCCn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000809620818 994558694 /nfs/dbraw/zinc/55/86/94/994558694.db2.gz VVQWHORKWGPMPF-HXUWFJFHSA-N 1 2 374.485 2.573 20 30 FFEDLO CCn1nc(C)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001097910362 1015890724 /nfs/dbraw/zinc/89/07/24/1015890724.db2.gz ZGWNJRMEAAWPNL-AQNXPRMDSA-N 1 2 362.477 2.598 20 30 FFEDLO CCn1nc(C)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001097910362 1015890741 /nfs/dbraw/zinc/89/07/41/1015890741.db2.gz ZGWNJRMEAAWPNL-AQNXPRMDSA-N 1 2 362.477 2.598 20 30 FFEDLO C=CCC[C@H](CCC)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)[nH+]c1 ZINC000679149862 1015901478 /nfs/dbraw/zinc/90/14/78/1015901478.db2.gz VELMFGOKUHVFFS-INIZCTEOSA-N 1 2 366.531 2.710 20 30 FFEDLO N#CCOc1cccc(CC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001132815822 995148621 /nfs/dbraw/zinc/14/86/21/995148621.db2.gz UXQFADJVERKBLK-HXUWFJFHSA-N 1 2 360.417 2.886 20 30 FFEDLO C#C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccc(F)cc1 ZINC000812933965 995580675 /nfs/dbraw/zinc/58/06/75/995580675.db2.gz OKYZHNDWVGHMNO-OXQOHEQNSA-N 1 2 366.440 2.983 20 30 FFEDLO C[C@H](C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21)C1CCC1 ZINC001083118272 996066865 /nfs/dbraw/zinc/06/68/65/996066865.db2.gz ADVQKJHHNQVMSG-PNHOKKKMSA-N 1 2 371.456 2.545 20 30 FFEDLO C[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21)C1CCC1 ZINC001083118272 996066867 /nfs/dbraw/zinc/06/68/67/996066867.db2.gz ADVQKJHHNQVMSG-PNHOKKKMSA-N 1 2 371.456 2.545 20 30 FFEDLO CC1(C)CCCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001084126880 996265532 /nfs/dbraw/zinc/26/55/32/996265532.db2.gz MSUZZQHJMHCAAF-HBMCJLEFSA-N 1 2 368.521 2.806 20 30 FFEDLO CC1(C)CCCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001084126880 996265539 /nfs/dbraw/zinc/26/55/39/996265539.db2.gz MSUZZQHJMHCAAF-HBMCJLEFSA-N 1 2 368.521 2.806 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccoc3)[C@@H]2C1 ZINC001084187202 996318326 /nfs/dbraw/zinc/31/83/26/996318326.db2.gz HXXZVZHATONHQK-CRAIPNDOSA-N 1 2 351.406 2.506 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccoc3)[C@@H]2C1 ZINC001084187202 996318330 /nfs/dbraw/zinc/31/83/30/996318330.db2.gz HXXZVZHATONHQK-CRAIPNDOSA-N 1 2 351.406 2.506 20 30 FFEDLO N#Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccccc4O)[C@@H]3C2)ccc1F ZINC001084196369 996329483 /nfs/dbraw/zinc/32/94/83/996329483.db2.gz GXQHSYHGHKJIFV-DNVCBOLYSA-N 1 2 365.408 2.749 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccccc4O)[C@@H]3C2)ccc1F ZINC001084196369 996329486 /nfs/dbraw/zinc/32/94/86/996329486.db2.gz GXQHSYHGHKJIFV-DNVCBOLYSA-N 1 2 365.408 2.749 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[C@H]4CCCO4)[C@@H]3C2)c(F)c1 ZINC001084204096 996337252 /nfs/dbraw/zinc/33/72/52/996337252.db2.gz LWGWJLJPGDQGIO-QWFCFKBJSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[C@H]4CCCO4)[C@@H]3C2)c(F)c1 ZINC001084204096 996337254 /nfs/dbraw/zinc/33/72/54/996337254.db2.gz LWGWJLJPGDQGIO-QWFCFKBJSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccncc4F)[C@@H]3C2)c1 ZINC001084249442 996355960 /nfs/dbraw/zinc/35/59/60/996355960.db2.gz YEOHXAWTEZSDJL-AUUYWEPGSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccncc4F)[C@@H]3C2)c1 ZINC001084249442 996355964 /nfs/dbraw/zinc/35/59/64/996355964.db2.gz YEOHXAWTEZSDJL-AUUYWEPGSA-N 1 2 368.387 2.578 20 30 FFEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3OCC[C@@H]3c3ccccc3)cc2C1 ZINC001054285440 1016026106 /nfs/dbraw/zinc/02/61/06/1016026106.db2.gz IVTVEDBAZXQETM-FGZHOGPDSA-N 1 2 360.457 2.824 20 30 FFEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3OCC[C@@H]3c3ccccc3)cc2C1 ZINC001054285440 1016026112 /nfs/dbraw/zinc/02/61/12/1016026112.db2.gz IVTVEDBAZXQETM-FGZHOGPDSA-N 1 2 360.457 2.824 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[C@@H]4CCOC4)[C@@H]3C2)c(F)c1 ZINC001084268389 996412889 /nfs/dbraw/zinc/41/28/89/996412889.db2.gz PGMUTPKMEMWXGD-XFQXTVEOSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[C@@H]4CCOC4)[C@@H]3C2)c(F)c1 ZINC001084268389 996412892 /nfs/dbraw/zinc/41/28/92/996412892.db2.gz PGMUTPKMEMWXGD-XFQXTVEOSA-N 1 2 371.456 2.547 20 30 FFEDLO Cc1c[nH]nc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084332645 996462292 /nfs/dbraw/zinc/46/22/92/996462292.db2.gz NNWBDHGIYOTAEM-SJLPKXTDSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1c[nH]nc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084332645 996462295 /nfs/dbraw/zinc/46/22/95/996462295.db2.gz NNWBDHGIYOTAEM-SJLPKXTDSA-N 1 2 368.868 2.570 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Oc3cccc(F)c3)[C@@H]2C1 ZINC001084365642 996491353 /nfs/dbraw/zinc/49/13/53/996491353.db2.gz KQWHBRRPAACBAA-JJRVBVJISA-N 1 2 352.837 2.878 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Oc3cccc(F)c3)[C@@H]2C1 ZINC001084365642 996491356 /nfs/dbraw/zinc/49/13/56/996491356.db2.gz KQWHBRRPAACBAA-JJRVBVJISA-N 1 2 352.837 2.878 20 30 FFEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000826729948 1016040222 /nfs/dbraw/zinc/04/02/22/1016040222.db2.gz LABCQBYYPVIFNO-IBGZPJMESA-N 1 2 364.449 2.511 20 30 FFEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000826729948 1016040231 /nfs/dbraw/zinc/04/02/31/1016040231.db2.gz LABCQBYYPVIFNO-IBGZPJMESA-N 1 2 364.449 2.511 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cc(OC)ccc3OC)[C@@H]2C1 ZINC001084425897 996526490 /nfs/dbraw/zinc/52/64/90/996526490.db2.gz DKXRRXMZLMXNLM-RHSMWYFYSA-N 1 2 364.873 2.532 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cc(OC)ccc3OC)[C@@H]2C1 ZINC001084425897 996526495 /nfs/dbraw/zinc/52/64/95/996526495.db2.gz DKXRRXMZLMXNLM-RHSMWYFYSA-N 1 2 364.873 2.532 20 30 FFEDLO CCCc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)[nH]n1 ZINC001084564792 996678393 /nfs/dbraw/zinc/67/83/93/996678393.db2.gz BWYHXYQAQAGDHT-YLJYHZDGSA-N 1 2 363.465 2.580 20 30 FFEDLO CCCc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)[nH]n1 ZINC001084564792 996678396 /nfs/dbraw/zinc/67/83/96/996678396.db2.gz BWYHXYQAQAGDHT-YLJYHZDGSA-N 1 2 363.465 2.580 20 30 FFEDLO CCCc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)n[nH]1 ZINC001084565229 996679131 /nfs/dbraw/zinc/67/91/31/996679131.db2.gz YGHQKBMUYYPFNI-YLJYHZDGSA-N 1 2 363.465 2.580 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCCCC3)C[C@H]21 ZINC001084574689 996703222 /nfs/dbraw/zinc/70/32/22/996703222.db2.gz IFMXSDLOAZMVQW-SJLPKXTDSA-N 1 2 361.530 2.570 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCCCC3)C[C@H]21 ZINC001084574689 996703224 /nfs/dbraw/zinc/70/32/24/996703224.db2.gz IFMXSDLOAZMVQW-SJLPKXTDSA-N 1 2 361.530 2.570 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]5C[C@H]5C4)[C@@H]3C2)c(F)c1 ZINC001084597584 996716661 /nfs/dbraw/zinc/71/66/61/996716661.db2.gz SLQGUVTVDVUKHA-PKRADWSKSA-N 1 2 353.441 2.776 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]5C[C@H]5C4)[C@@H]3C2)c(F)c1 ZINC001084597584 996716664 /nfs/dbraw/zinc/71/66/64/996716664.db2.gz SLQGUVTVDVUKHA-PKRADWSKSA-N 1 2 353.441 2.776 20 30 FFEDLO CCc1ncoc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084648144 996760057 /nfs/dbraw/zinc/76/00/57/996760057.db2.gz XKGLWNZZPONETM-MLGOLLRUSA-N 1 2 356.451 2.517 20 30 FFEDLO CCc1ncoc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084648144 996760061 /nfs/dbraw/zinc/76/00/61/996760061.db2.gz XKGLWNZZPONETM-MLGOLLRUSA-N 1 2 356.451 2.517 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)c(C)[nH]1 ZINC001084688242 996885054 /nfs/dbraw/zinc/88/50/54/996885054.db2.gz PEKLMFAJZGZGLQ-OXQOHEQNSA-N 1 2 366.440 2.989 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)c(C)[nH]1 ZINC001084688242 996885064 /nfs/dbraw/zinc/88/50/64/996885064.db2.gz PEKLMFAJZGZGLQ-OXQOHEQNSA-N 1 2 366.440 2.989 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C)OCC ZINC001090778233 997003722 /nfs/dbraw/zinc/00/37/22/997003722.db2.gz QXASYYPWBBKAIX-XWIAVFTESA-N 1 2 360.502 2.714 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3NC(=O)CC)[C@@H]2C1 ZINC001084729945 997105036 /nfs/dbraw/zinc/10/50/36/997105036.db2.gz BZMASHPGQWFZEM-RHSMWYFYSA-N 1 2 361.873 2.934 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3NC(=O)CC)[C@@H]2C1 ZINC001084729945 997105041 /nfs/dbraw/zinc/10/50/41/997105041.db2.gz BZMASHPGQWFZEM-RHSMWYFYSA-N 1 2 361.873 2.934 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)c(C)o1 ZINC001084737570 997127255 /nfs/dbraw/zinc/12/72/55/997127255.db2.gz PXNRXZZVWDPTBX-CRAIPNDOSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)c(C)o1 ZINC001084737570 997127263 /nfs/dbraw/zinc/12/72/63/997127263.db2.gz PXNRXZZVWDPTBX-CRAIPNDOSA-N 1 2 368.412 2.649 20 30 FFEDLO C[C@@]1(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)CCCOC1 ZINC001084744309 997166385 /nfs/dbraw/zinc/16/63/85/997166385.db2.gz DQQSASZAIGTHMI-SYYKKAFVSA-N 1 2 370.468 2.527 20 30 FFEDLO C[C@@]1(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)CCCOC1 ZINC001084744309 997166395 /nfs/dbraw/zinc/16/63/95/997166395.db2.gz DQQSASZAIGTHMI-SYYKKAFVSA-N 1 2 370.468 2.527 20 30 FFEDLO C[C@]1(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)CCCOC1 ZINC001084744310 997169390 /nfs/dbraw/zinc/16/93/90/997169390.db2.gz DQQSASZAIGTHMI-UZKOGDIHSA-N 1 2 370.468 2.527 20 30 FFEDLO C[C@]1(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)CCCOC1 ZINC001084744310 997169397 /nfs/dbraw/zinc/16/93/97/997169397.db2.gz DQQSASZAIGTHMI-UZKOGDIHSA-N 1 2 370.468 2.527 20 30 FFEDLO Fc1ccc(CNC(=S)N[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000730560085 997271819 /nfs/dbraw/zinc/27/18/19/997271819.db2.gz RHPFGQZMEGROQX-UHFFFAOYSA-N 1 2 372.469 2.661 20 30 FFEDLO N#Cc1oc2ccccc2c1NC(=O)[C@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001143659561 997493408 /nfs/dbraw/zinc/49/34/08/997493408.db2.gz YFKGWHPFNOMUFI-OXQOHEQNSA-N 1 2 361.401 2.878 20 30 FFEDLO N#Cc1oc2ccccc2c1NC(=O)[C@H]1[C@H](O)CC[N@H+]1Cc1ccccc1 ZINC001143659561 997493411 /nfs/dbraw/zinc/49/34/11/997493411.db2.gz YFKGWHPFNOMUFI-OXQOHEQNSA-N 1 2 361.401 2.878 20 30 FFEDLO Cn1cc(N2C[C@@]3(CC[N@H+](Cc4c(Cl)cccc4C#N)C3)CC2=O)cn1 ZINC001143723069 997600875 /nfs/dbraw/zinc/60/08/75/997600875.db2.gz BIGSTJZUCDFCHN-IBGZPJMESA-N 1 2 369.856 2.574 20 30 FFEDLO Cn1cc(N2C[C@@]3(CC[N@@H+](Cc4c(Cl)cccc4C#N)C3)CC2=O)cn1 ZINC001143723069 997600880 /nfs/dbraw/zinc/60/08/80/997600880.db2.gz BIGSTJZUCDFCHN-IBGZPJMESA-N 1 2 369.856 2.574 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CCCOC4)[C@@H]3C2)c(F)c1 ZINC001084836890 997604343 /nfs/dbraw/zinc/60/43/43/997604343.db2.gz SGKTUPVURCROIT-YVWKXTFCSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CCCOC4)[C@@H]3C2)c(F)c1 ZINC001084836890 997604355 /nfs/dbraw/zinc/60/43/55/997604355.db2.gz SGKTUPVURCROIT-YVWKXTFCSA-N 1 2 371.456 2.547 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C)n(C)n3)C[C@H]21)c1ccccc1 ZINC001084847181 997632949 /nfs/dbraw/zinc/63/29/49/997632949.db2.gz MGJKSHHXHDTWEX-HMXCVIKNSA-N 1 2 364.493 2.731 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C)n(C)n3)C[C@H]21)c1ccccc1 ZINC001084847181 997632953 /nfs/dbraw/zinc/63/29/53/997632953.db2.gz MGJKSHHXHDTWEX-HMXCVIKNSA-N 1 2 364.493 2.731 20 30 FFEDLO C#CCOc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000731109702 997684739 /nfs/dbraw/zinc/68/47/39/997684739.db2.gz XNDKULPDJRRSEN-UHFFFAOYSA-N 1 2 374.444 2.920 20 30 FFEDLO COc1ccc(NC(=O)C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1Cl ZINC000844365294 997836191 /nfs/dbraw/zinc/83/61/91/997836191.db2.gz DKYZJNAJWGAVQC-KRWDZBQOSA-N 1 2 373.840 2.824 20 30 FFEDLO COc1ccc(NC(=O)C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1Cl ZINC000844365294 997836208 /nfs/dbraw/zinc/83/62/08/997836208.db2.gz DKYZJNAJWGAVQC-KRWDZBQOSA-N 1 2 373.840 2.824 20 30 FFEDLO CS[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001084893642 997921092 /nfs/dbraw/zinc/92/10/92/997921092.db2.gz IXOAARLLCZQGRX-LBTNJELSSA-N 1 2 361.486 2.872 20 30 FFEDLO CS[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001084893642 997921096 /nfs/dbraw/zinc/92/10/96/997921096.db2.gz IXOAARLLCZQGRX-LBTNJELSSA-N 1 2 361.486 2.872 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@@H+](Cc3nccc(C)n3)[C@H]2C1 ZINC001084959164 998362390 /nfs/dbraw/zinc/36/23/90/998362390.db2.gz YUHZJUAZQNJLKC-MJGOQNOKSA-N 1 2 365.481 2.509 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@H+](Cc3nccc(C)n3)[C@H]2C1 ZINC001084959164 998362397 /nfs/dbraw/zinc/36/23/97/998362397.db2.gz YUHZJUAZQNJLKC-MJGOQNOKSA-N 1 2 365.481 2.509 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3nc4cccnc4s3)C[C@@H]21 ZINC001084959253 998364900 /nfs/dbraw/zinc/36/49/00/998364900.db2.gz GZSDTHGWSZUNPT-OCCSQVGLSA-N 1 2 362.886 2.980 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3nc4cccnc4s3)C[C@@H]21 ZINC001084959253 998364913 /nfs/dbraw/zinc/36/49/13/998364913.db2.gz GZSDTHGWSZUNPT-OCCSQVGLSA-N 1 2 362.886 2.980 20 30 FFEDLO [NH2+]=C(Nc1cnc(OC2CCOCC2)nc1)c1ccc2cc(O)ccc2c1 ZINC001171186181 998558441 /nfs/dbraw/zinc/55/84/41/998558441.db2.gz OOKBVVKRWMZFIK-UHFFFAOYSA-N 1 2 364.405 2.930 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3nc4c(s3)CCC4)C[C@@H]21 ZINC001084989646 998563362 /nfs/dbraw/zinc/56/33/62/998563362.db2.gz OAFBJQYBDHQITC-OCCSQVGLSA-N 1 2 351.903 2.921 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3nc4c(s3)CCC4)C[C@@H]21 ZINC001084989646 998563369 /nfs/dbraw/zinc/56/33/69/998563369.db2.gz OAFBJQYBDHQITC-OCCSQVGLSA-N 1 2 351.903 2.921 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cn(CC4CC4)nn3)[C@H]2C1 ZINC001085004706 998651063 /nfs/dbraw/zinc/65/10/63/998651063.db2.gz CSYNKIRGZNNGLC-MJGOQNOKSA-N 1 2 371.529 2.713 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(CC4CC4)nn3)[C@H]2C1 ZINC001085004706 998651069 /nfs/dbraw/zinc/65/10/69/998651069.db2.gz CSYNKIRGZNNGLC-MJGOQNOKSA-N 1 2 371.529 2.713 20 30 FFEDLO COc1cccc(/C=N/CC[NH+]2CCN(C(=O)C3CCCCC3)CC2)c1O ZINC000733081332 998866391 /nfs/dbraw/zinc/86/63/91/998866391.db2.gz VLGLFMLHSQSQAZ-CJLVFECKSA-N 1 2 373.497 2.544 20 30 FFEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]2CC[N@H+](Cc3cscn3)[C@H]2C1 ZINC001085082802 998892149 /nfs/dbraw/zinc/89/21/49/998892149.db2.gz DPIUIXJGMPTIBB-XLIONFOSSA-N 1 2 365.502 2.790 20 30 FFEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]2CC[N@@H+](Cc3cscn3)[C@H]2C1 ZINC001085082802 998892155 /nfs/dbraw/zinc/89/21/55/998892155.db2.gz DPIUIXJGMPTIBB-XLIONFOSSA-N 1 2 365.502 2.790 20 30 FFEDLO C=C(C)CCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)CC1 ZINC001065713902 999125114 /nfs/dbraw/zinc/12/51/14/999125114.db2.gz YKOUKXNFCNFGRB-GUDVDZBRSA-N 1 2 361.530 2.524 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CCN2c1nc(C)[nH+]c(C)c1C ZINC001066196729 999141704 /nfs/dbraw/zinc/14/17/04/999141704.db2.gz YAWSEOGCTRPZQJ-HCXYKTFWSA-N 1 2 370.497 2.563 20 30 FFEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001085736201 999616899 /nfs/dbraw/zinc/61/68/99/999616899.db2.gz CNXDIBZRFYJNPC-HBMCJLEFSA-N 1 2 370.468 2.525 20 30 FFEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001085736201 999616900 /nfs/dbraw/zinc/61/69/00/999616900.db2.gz CNXDIBZRFYJNPC-HBMCJLEFSA-N 1 2 370.468 2.525 20 30 FFEDLO C[C@@H](C(=O)OCCOc1ccccc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000740987140 999696417 /nfs/dbraw/zinc/69/64/17/999696417.db2.gz JTHXLVSYVWXVEU-INIZCTEOSA-N 1 2 350.418 2.927 20 30 FFEDLO C[C@@H](C(=O)OCCOc1ccccc1C#N)[N@H+]1CCc2ccccc2C1 ZINC000740987140 999696420 /nfs/dbraw/zinc/69/64/20/999696420.db2.gz JTHXLVSYVWXVEU-INIZCTEOSA-N 1 2 350.418 2.927 20 30 FFEDLO CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108226143 999697499 /nfs/dbraw/zinc/69/74/99/999697499.db2.gz KXLJNCDDWVORIC-KCZVDYSFSA-N 1 2 369.509 2.948 20 30 FFEDLO CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108226143 999697501 /nfs/dbraw/zinc/69/75/01/999697501.db2.gz KXLJNCDDWVORIC-KCZVDYSFSA-N 1 2 369.509 2.948 20 30 FFEDLO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000741466299 999728568 /nfs/dbraw/zinc/72/85/68/999728568.db2.gz LUCCSVDBLGTABL-AKGOGDBKSA-N 1 2 368.437 2.930 20 30 FFEDLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000742405860 999773000 /nfs/dbraw/zinc/77/30/00/999773000.db2.gz PMZCUHGOHHBVQB-MRXNPFEDSA-N 1 2 358.461 2.610 20 30 FFEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000744391035 999853912 /nfs/dbraw/zinc/85/39/12/999853912.db2.gz NGALSHROUUBVJO-IBGZPJMESA-N 1 2 360.417 2.963 20 30 FFEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000744391035 999853914 /nfs/dbraw/zinc/85/39/14/999853914.db2.gz NGALSHROUUBVJO-IBGZPJMESA-N 1 2 360.417 2.963 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC000745081078 999894044 /nfs/dbraw/zinc/89/40/44/999894044.db2.gz FQYHNJOPMHLJBK-IEBWSBKVSA-N 1 2 371.481 2.966 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC000745081078 999894045 /nfs/dbraw/zinc/89/40/45/999894045.db2.gz FQYHNJOPMHLJBK-IEBWSBKVSA-N 1 2 371.481 2.966 20 30 FFEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NC2COC(C)(C)OC2)[nH+]1 ZINC001168904936 1000007765 /nfs/dbraw/zinc/00/77/65/1000007765.db2.gz OYSPSTOUIXCQPJ-AVQBUJNVSA-N 1 2 353.488 2.835 20 30 FFEDLO C#Cc1cccc(N(C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000103146175 1000033798 /nfs/dbraw/zinc/03/37/98/1000033798.db2.gz RYCIKCWOCBMFCZ-UHFFFAOYSA-N 1 2 363.461 2.575 20 30 FFEDLO NC(=[NH+]OCCC1OCCO1)c1ccc(COc2ccccc2F)cc1 ZINC000767546787 1000123956 /nfs/dbraw/zinc/12/39/56/1000123956.db2.gz JOURKHFPURHHEJ-UHFFFAOYSA-N 1 2 360.385 2.805 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccc(C#N)c(SC)n2)C1=O ZINC001276131613 1016387429 /nfs/dbraw/zinc/38/74/29/1016387429.db2.gz QYOIZMZZSNMSSP-LJQANCHMSA-N 1 2 356.495 2.818 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C#N)c(SC)n2)C1=O ZINC001276131613 1016387443 /nfs/dbraw/zinc/38/74/43/1016387443.db2.gz QYOIZMZZSNMSSP-LJQANCHMSA-N 1 2 356.495 2.818 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(Cl)cc2c1OCC2 ZINC001109080566 1000163127 /nfs/dbraw/zinc/16/31/27/1000163127.db2.gz YCSNSEVIXJBTIQ-FKSAFCJBSA-N 1 2 359.857 2.656 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(Cl)cc2c1OCC2 ZINC001109080566 1000163128 /nfs/dbraw/zinc/16/31/28/1000163128.db2.gz YCSNSEVIXJBTIQ-FKSAFCJBSA-N 1 2 359.857 2.656 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)Nc1cccc(C)c1 ZINC001109204016 1000185359 /nfs/dbraw/zinc/18/53/59/1000185359.db2.gz AEMYXZWTAGLFIK-LMCOJAPRSA-N 1 2 367.493 2.847 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)Nc1cccc(C)c1 ZINC001109204016 1000185360 /nfs/dbraw/zinc/18/53/60/1000185360.db2.gz AEMYXZWTAGLFIK-LMCOJAPRSA-N 1 2 367.493 2.847 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cc(C)cc(C)c1 ZINC001109208222 1000186766 /nfs/dbraw/zinc/18/67/66/1000186766.db2.gz FRGBRSYFYNDVID-AABGKKOBSA-N 1 2 367.493 2.767 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cc(C)cc(C)c1 ZINC001109208222 1000186768 /nfs/dbraw/zinc/18/67/68/1000186768.db2.gz FRGBRSYFYNDVID-AABGKKOBSA-N 1 2 367.493 2.767 20 30 FFEDLO CCCCCC[C@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109259502 1000204307 /nfs/dbraw/zinc/20/43/07/1000204307.db2.gz GNRFMJRCMHYOLA-RNQOJCNYSA-N 1 2 373.541 2.596 20 30 FFEDLO CCCCCC[C@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109259502 1000204310 /nfs/dbraw/zinc/20/43/10/1000204310.db2.gz GNRFMJRCMHYOLA-RNQOJCNYSA-N 1 2 373.541 2.596 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1)C1CC1 ZINC001109294231 1000240715 /nfs/dbraw/zinc/24/07/15/1000240715.db2.gz ODBKOJUPHWUVQZ-GTAWCEEGSA-N 1 2 371.456 2.734 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1)C1CC1 ZINC001109294231 1000240720 /nfs/dbraw/zinc/24/07/20/1000240720.db2.gz ODBKOJUPHWUVQZ-GTAWCEEGSA-N 1 2 371.456 2.734 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NCc1ccco1 ZINC001109339291 1000287470 /nfs/dbraw/zinc/28/74/70/1000287470.db2.gz BNNKXZVVVVNYFA-LMSBXDPUSA-N 1 2 373.497 2.608 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NCc1ccco1 ZINC001109339291 1000287475 /nfs/dbraw/zinc/28/74/75/1000287475.db2.gz BNNKXZVVVVNYFA-LMSBXDPUSA-N 1 2 373.497 2.608 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCC[C@H]1Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001091252242 1000337804 /nfs/dbraw/zinc/33/78/04/1000337804.db2.gz SHVDLCBHNGWHRV-JXXFODFXSA-N 1 2 358.486 2.829 20 30 FFEDLO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[nH]c1-c1ccccn1)C2 ZINC001109383896 1000360162 /nfs/dbraw/zinc/36/01/62/1000360162.db2.gz RCGZYIGTALRVPB-JLSDUUJJSA-N 1 2 351.454 2.773 20 30 FFEDLO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[nH]c1-c1ccccn1)C2 ZINC001109383896 1000360166 /nfs/dbraw/zinc/36/01/66/1000360166.db2.gz RCGZYIGTALRVPB-JLSDUUJJSA-N 1 2 351.454 2.773 20 30 FFEDLO Cc1ccc(C#N)c(N[C@@H]2CCCC[C@H]2NC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC001091296332 1000382461 /nfs/dbraw/zinc/38/24/61/1000382461.db2.gz YSBPALLWXXMAMA-CGTJXYLNSA-N 1 2 366.469 2.949 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3sccc3s1)C2 ZINC001109449477 1000474572 /nfs/dbraw/zinc/47/45/72/1000474572.db2.gz WXZLIFHNPBIUNI-RDBSUJKOSA-N 1 2 360.504 2.948 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3sccc3s1)C2 ZINC001109449477 1000474574 /nfs/dbraw/zinc/47/45/74/1000474574.db2.gz WXZLIFHNPBIUNI-RDBSUJKOSA-N 1 2 360.504 2.948 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cnc3ccccc31)C2 ZINC001109501183 1000571886 /nfs/dbraw/zinc/57/18/86/1000571886.db2.gz OPIONMNRKMWDCA-HFTRVMKXSA-N 1 2 358.873 2.900 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cnc3ccccc31)C2 ZINC001109501183 1000571893 /nfs/dbraw/zinc/57/18/93/1000571893.db2.gz OPIONMNRKMWDCA-HFTRVMKXSA-N 1 2 358.873 2.900 20 30 FFEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 ZINC000769977538 1000646498 /nfs/dbraw/zinc/64/64/98/1000646498.db2.gz JNYQZQYPTUXVNT-KRWDZBQOSA-N 1 2 363.461 2.817 20 30 FFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 ZINC000769977538 1000646500 /nfs/dbraw/zinc/64/65/00/1000646500.db2.gz JNYQZQYPTUXVNT-KRWDZBQOSA-N 1 2 363.461 2.817 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)C(C)C ZINC001109634840 1000735929 /nfs/dbraw/zinc/73/59/29/1000735929.db2.gz ZBLMUVRWFVJDCF-MHORFTMASA-N 1 2 370.559 2.524 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)C(C)C ZINC001109634840 1000735940 /nfs/dbraw/zinc/73/59/40/1000735940.db2.gz ZBLMUVRWFVJDCF-MHORFTMASA-N 1 2 370.559 2.524 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001109627318 1000740207 /nfs/dbraw/zinc/74/02/07/1000740207.db2.gz MBINOBGGSLZGRB-AABGKKOBSA-N 1 2 367.493 2.565 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001109627318 1000740214 /nfs/dbraw/zinc/74/02/14/1000740214.db2.gz MBINOBGGSLZGRB-AABGKKOBSA-N 1 2 367.493 2.565 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC13CCOCC3)C2 ZINC001096682301 1016433088 /nfs/dbraw/zinc/43/30/88/1016433088.db2.gz FHGYYZHIXPXSRC-ZRNYENFQSA-N 1 2 365.477 2.596 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC13CCOCC3)C2 ZINC001096682301 1016433091 /nfs/dbraw/zinc/43/30/91/1016433091.db2.gz FHGYYZHIXPXSRC-ZRNYENFQSA-N 1 2 365.477 2.596 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)C(C)C ZINC001109675958 1000818453 /nfs/dbraw/zinc/81/84/53/1000818453.db2.gz MUKBCZAXOXXNQJ-FUMNGEBKSA-N 1 2 358.457 2.570 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)C(C)C ZINC001109675958 1000818456 /nfs/dbraw/zinc/81/84/56/1000818456.db2.gz MUKBCZAXOXXNQJ-FUMNGEBKSA-N 1 2 358.457 2.570 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1ccco1 ZINC001109678590 1000852579 /nfs/dbraw/zinc/85/25/79/1000852579.db2.gz ATMARXCMVHRTIA-NKMKZGIRSA-N 1 2 373.497 2.562 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1ccco1 ZINC001109678590 1000852587 /nfs/dbraw/zinc/85/25/87/1000852587.db2.gz ATMARXCMVHRTIA-NKMKZGIRSA-N 1 2 373.497 2.562 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109691834 1000863928 /nfs/dbraw/zinc/86/39/28/1000863928.db2.gz ARWFPQVRTPBJOP-BTHPGYMESA-N 1 2 373.472 2.980 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109691834 1000863933 /nfs/dbraw/zinc/86/39/33/1000863933.db2.gz ARWFPQVRTPBJOP-BTHPGYMESA-N 1 2 373.472 2.980 20 30 FFEDLO Cc1nc(NCCC[C@@H]2[C@H](C)CCCN2C(=O)CSCC#N)cc[nH+]1 ZINC001091696972 1001074895 /nfs/dbraw/zinc/07/48/95/1001074895.db2.gz DGAZPBCGJJACMI-GDBMZVCRSA-N 1 2 361.515 2.861 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCn2cccc2)C3)c(F)c1 ZINC001109885749 1001117424 /nfs/dbraw/zinc/11/74/24/1001117424.db2.gz WBENYEUPAZLDNA-HOJAQTOUSA-N 1 2 366.440 2.811 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCn2cccc2)C3)c(F)c1 ZINC001109885749 1001117429 /nfs/dbraw/zinc/11/74/29/1001117429.db2.gz WBENYEUPAZLDNA-HOJAQTOUSA-N 1 2 366.440 2.811 20 30 FFEDLO COCCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109915729 1001142067 /nfs/dbraw/zinc/14/20/67/1001142067.db2.gz BOCGJIMRSOPBJU-NEWSRXKRSA-N 1 2 373.472 2.982 20 30 FFEDLO COCCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109915729 1001142071 /nfs/dbraw/zinc/14/20/71/1001142071.db2.gz BOCGJIMRSOPBJU-NEWSRXKRSA-N 1 2 373.472 2.982 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](CNc1cccc(F)c1C#N)C1CC1 ZINC001109984463 1001242846 /nfs/dbraw/zinc/24/28/46/1001242846.db2.gz PRESXAASVNXAPU-LBTNJELSSA-N 1 2 367.428 2.541 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cccnc2)C3)c(F)c1 ZINC001096724836 1016477843 /nfs/dbraw/zinc/47/78/43/1016477843.db2.gz TYVYJJYFGFTDHH-QRQLOZEOSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cccnc2)C3)c(F)c1 ZINC001096724836 1016477850 /nfs/dbraw/zinc/47/78/50/1016477850.db2.gz TYVYJJYFGFTDHH-QRQLOZEOSA-N 1 2 350.397 2.628 20 30 FFEDLO C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)c2ccc(OC(F)F)cc2)CC1 ZINC000772114309 1001301644 /nfs/dbraw/zinc/30/16/44/1001301644.db2.gz ZYBYCRRWLWYZTP-CYBMUJFWSA-N 1 2 365.376 2.748 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccncc2)C3)c1 ZINC001096730932 1016482816 /nfs/dbraw/zinc/48/28/16/1016482816.db2.gz QQRMLJFLKIPHPK-QRQLOZEOSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccncc2)C3)c1 ZINC001096730932 1016482823 /nfs/dbraw/zinc/48/28/23/1016482823.db2.gz QQRMLJFLKIPHPK-QRQLOZEOSA-N 1 2 350.397 2.628 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]2C1 ZINC001091852031 1001950282 /nfs/dbraw/zinc/95/02/82/1001950282.db2.gz HPGILYKNMPXKBZ-MSOLQXFVSA-N 1 2 354.498 2.997 20 30 FFEDLO CC(C)COCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110320968 1002019741 /nfs/dbraw/zinc/01/97/41/1002019741.db2.gz STWYYEAXXPOBBU-RLLQIKCJSA-N 1 2 373.472 2.982 20 30 FFEDLO CC(C)COCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110320968 1002019748 /nfs/dbraw/zinc/01/97/48/1002019748.db2.gz STWYYEAXXPOBBU-RLLQIKCJSA-N 1 2 373.472 2.982 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)CC1 ZINC001183012717 1002122120 /nfs/dbraw/zinc/12/21/20/1002122120.db2.gz AMEJUECATNIUAL-SFHVURJKSA-N 1 2 371.481 2.809 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001091947192 1002146856 /nfs/dbraw/zinc/14/68/56/1002146856.db2.gz BPICDRUDCRWMJT-WBVHZDCISA-N 1 2 358.486 2.729 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001091949658 1002152167 /nfs/dbraw/zinc/15/21/67/1002152167.db2.gz XMCPPIATNBIVKE-VYDXJSESSA-N 1 2 358.486 2.727 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171373506 1002427301 /nfs/dbraw/zinc/42/73/01/1002427301.db2.gz YUSMQMZLQOFXTG-KXBFYZLASA-N 1 2 374.435 2.753 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171373506 1002427306 /nfs/dbraw/zinc/42/73/06/1002427306.db2.gz YUSMQMZLQOFXTG-KXBFYZLASA-N 1 2 374.435 2.753 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2sc3nccn3c2C)C1 ZINC001086592942 1002555722 /nfs/dbraw/zinc/55/57/22/1002555722.db2.gz QDBFNHRQXQNFPH-DLBZAZTESA-N 1 2 364.474 2.535 20 30 FFEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2sc3nccn3c2C)C1 ZINC001086592942 1002555732 /nfs/dbraw/zinc/55/57/32/1002555732.db2.gz QDBFNHRQXQNFPH-DLBZAZTESA-N 1 2 364.474 2.535 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C)o3)C[C@@]2(C)C1)c1ccccc1 ZINC001092294485 1002710567 /nfs/dbraw/zinc/71/05/67/1002710567.db2.gz UCUBRFKLHQWNPS-OPYAIIAOSA-N 1 2 366.465 2.628 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C)o3)C[C@@]2(C)C1)c1ccccc1 ZINC001092294485 1002710574 /nfs/dbraw/zinc/71/05/74/1002710574.db2.gz UCUBRFKLHQWNPS-OPYAIIAOSA-N 1 2 366.465 2.628 20 30 FFEDLO CCCCCCCC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001110130855 1002719047 /nfs/dbraw/zinc/71/90/47/1002719047.db2.gz IFGIVXMWILAOPS-BDXSIMOUSA-N 1 2 351.535 2.841 20 30 FFEDLO CCCCCCCC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001110130855 1002719058 /nfs/dbraw/zinc/71/90/58/1002719058.db2.gz IFGIVXMWILAOPS-BDXSIMOUSA-N 1 2 351.535 2.841 20 30 FFEDLO C=CCOc1cn(-c2ccccc2)nc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791574400 1002732809 /nfs/dbraw/zinc/73/28/09/1002732809.db2.gz PEDBNIXGPYDOSF-UHFFFAOYSA-N 1 2 350.378 2.771 20 30 FFEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc(OCCCC)cc2)CC1 ZINC000791902614 1002836999 /nfs/dbraw/zinc/83/69/99/1002836999.db2.gz WEEBPFRMWGVUIE-UHFFFAOYSA-N 1 2 357.450 2.937 20 30 FFEDLO Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)c1 ZINC001096912620 1016727463 /nfs/dbraw/zinc/72/74/63/1016727463.db2.gz OAOHKLHVGLHPNK-RLLQIKCJSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)c1 ZINC001096912620 1016727473 /nfs/dbraw/zinc/72/74/73/1016727473.db2.gz OAOHKLHVGLHPNK-RLLQIKCJSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)o1 ZINC001096915335 1016730075 /nfs/dbraw/zinc/73/00/75/1016730075.db2.gz PAMOHSUFLLQWRK-KURKYZTESA-N 1 2 350.422 2.698 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)o1 ZINC001096915335 1016730080 /nfs/dbraw/zinc/73/00/80/1016730080.db2.gz PAMOHSUFLLQWRK-KURKYZTESA-N 1 2 350.422 2.698 20 30 FFEDLO COCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110373821 1003145389 /nfs/dbraw/zinc/14/53/89/1003145389.db2.gz XVBGXOBULYLPED-QRQLOZEOSA-N 1 2 359.445 2.736 20 30 FFEDLO COCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110373821 1003145394 /nfs/dbraw/zinc/14/53/94/1003145394.db2.gz XVBGXOBULYLPED-QRQLOZEOSA-N 1 2 359.445 2.736 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)o1 ZINC001096915479 1016731243 /nfs/dbraw/zinc/73/12/43/1016731243.db2.gz PYDGPPGQNHFMKE-NXHRZFHOSA-N 1 2 368.412 2.838 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)o1 ZINC001096915479 1016731253 /nfs/dbraw/zinc/73/12/53/1016731253.db2.gz PYDGPPGQNHFMKE-NXHRZFHOSA-N 1 2 368.412 2.838 20 30 FFEDLO CC[C@H](C)CC[C@H](O)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000792834637 1003200716 /nfs/dbraw/zinc/20/07/16/1003200716.db2.gz UVALFJWOSVBFJE-PXNSSMCTSA-N 1 2 357.498 2.780 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cnc(C2CC2)o1 ZINC001095553508 1016742683 /nfs/dbraw/zinc/74/26/83/1016742683.db2.gz IWSAFRAMOMRIIG-QYZOEREBSA-N 1 2 361.445 2.939 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cnc(C2CC2)o1 ZINC001095553508 1016742692 /nfs/dbraw/zinc/74/26/92/1016742692.db2.gz IWSAFRAMOMRIIG-QYZOEREBSA-N 1 2 361.445 2.939 20 30 FFEDLO C=CCC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2)C3)CCCCC1 ZINC001490823838 1016756442 /nfs/dbraw/zinc/75/64/42/1016756442.db2.gz DFFFLJBDSSSGRV-KURKYZTESA-N 1 2 370.497 2.658 20 30 FFEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccccc1S(=O)(=O)N(C)C ZINC000793181467 1003301878 /nfs/dbraw/zinc/30/18/78/1003301878.db2.gz RYNHROJHHYPRFK-UHFFFAOYSA-N 1 2 372.494 2.741 20 30 FFEDLO C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1CCNc1ncccc1C#N ZINC001092615554 1003308898 /nfs/dbraw/zinc/30/88/98/1003308898.db2.gz OKGBLKCXRDCFPF-SJLPKXTDSA-N 1 2 366.469 2.527 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095561042 1016759920 /nfs/dbraw/zinc/75/99/20/1016759920.db2.gz ONMGGPXIXCSNPB-LYGKUDJVSA-N 1 2 371.456 2.734 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095561042 1016759931 /nfs/dbraw/zinc/75/99/31/1016759931.db2.gz ONMGGPXIXCSNPB-LYGKUDJVSA-N 1 2 371.456 2.734 20 30 FFEDLO CC(C)[C@@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1ccc(C#N)nc1 ZINC001114121620 1003403765 /nfs/dbraw/zinc/40/37/65/1003403765.db2.gz WKIUSSPPVOTUQI-KZNAEPCWSA-N 1 2 366.469 2.765 20 30 FFEDLO CC(C)[C@@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1ccc(C#N)nc1 ZINC001114121620 1003403776 /nfs/dbraw/zinc/40/37/76/1003403776.db2.gz WKIUSSPPVOTUQI-KZNAEPCWSA-N 1 2 366.469 2.765 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cn3c(=O)oc4cc(Cl)ccc43)C2)nc1 ZINC000793590165 1003431521 /nfs/dbraw/zinc/43/15/21/1003431521.db2.gz KRXVSHCUJAEITE-AWEZNQCLSA-N 1 2 370.796 2.625 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cn3c(=O)oc4cc(Cl)ccc43)C2)nc1 ZINC000793590165 1003431529 /nfs/dbraw/zinc/43/15/29/1003431529.db2.gz KRXVSHCUJAEITE-AWEZNQCLSA-N 1 2 370.796 2.625 20 30 FFEDLO CC(C)(C)C[C@H]1CN(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C(=O)O1 ZINC000793592589 1003432946 /nfs/dbraw/zinc/43/29/46/1003432946.db2.gz SIOFEBZTHVGEAZ-HOTGVXAUSA-N 1 2 358.442 2.621 20 30 FFEDLO CC(C)(C)C[C@H]1CN(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C(=O)O1 ZINC000793592589 1003432954 /nfs/dbraw/zinc/43/29/54/1003432954.db2.gz SIOFEBZTHVGEAZ-HOTGVXAUSA-N 1 2 358.442 2.621 20 30 FFEDLO N#CCSCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001186917504 1003488877 /nfs/dbraw/zinc/48/88/77/1003488877.db2.gz SEOVFUONPPUKJK-XJKSGUPXSA-N 1 2 367.877 2.769 20 30 FFEDLO N#CCSCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001186917504 1003488883 /nfs/dbraw/zinc/48/88/83/1003488883.db2.gz SEOVFUONPPUKJK-XJKSGUPXSA-N 1 2 367.877 2.769 20 30 FFEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000804454865 1003670024 /nfs/dbraw/zinc/67/00/24/1003670024.db2.gz VKZJARZPEUFGLY-SFTDATJTSA-N 1 2 356.510 2.874 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](F)CC)C[C@@H]2n2ccnn2)CCCC1 ZINC001129490859 1003676856 /nfs/dbraw/zinc/67/68/56/1003676856.db2.gz RXQGHQWYUHFMIH-ZACQAIPSSA-N 1 2 363.481 2.504 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](C[C@H](F)CC)C[C@@H]2n2ccnn2)CCCC1 ZINC001129490859 1003676862 /nfs/dbraw/zinc/67/68/62/1003676862.db2.gz RXQGHQWYUHFMIH-ZACQAIPSSA-N 1 2 363.481 2.504 20 30 FFEDLO CCc1ccc([C@@H]2CN(S(=O)(=O)c3c(C)cccc3C#N)CC[NH2+]2)cc1 ZINC001196229710 1003722171 /nfs/dbraw/zinc/72/21/71/1003722171.db2.gz SSJRXBOUOJNJHN-IBGZPJMESA-N 1 2 369.490 2.764 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001191301187 1003771275 /nfs/dbraw/zinc/77/12/75/1003771275.db2.gz HPDQGTCFXUSQSH-KRWDZBQOSA-N 1 2 354.475 2.563 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001191301187 1003771282 /nfs/dbraw/zinc/77/12/82/1003771282.db2.gz HPDQGTCFXUSQSH-KRWDZBQOSA-N 1 2 354.475 2.563 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccsn2)C3)cc1F ZINC001095598363 1016828711 /nfs/dbraw/zinc/82/87/11/1016828711.db2.gz YDVMQHYFGNFYCG-COXVUDFISA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccsn2)C3)cc1F ZINC001095598363 1016828722 /nfs/dbraw/zinc/82/87/22/1016828722.db2.gz YDVMQHYFGNFYCG-COXVUDFISA-N 1 2 356.426 2.689 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804761760 1003835241 /nfs/dbraw/zinc/83/52/41/1003835241.db2.gz AOBHADMOOIWXHF-JXFKEZNVSA-N 1 2 365.518 2.742 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3cccc(F)c3C#N)C2)CC1 ZINC000804834942 1003872045 /nfs/dbraw/zinc/87/20/45/1003872045.db2.gz PKVQFZKISLIDTH-OAHLLOKOSA-N 1 2 374.460 2.829 20 30 FFEDLO CCCCC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001196700186 1003918375 /nfs/dbraw/zinc/91/83/75/1003918375.db2.gz AKJUHWCQRDACNI-NSISKUIASA-N 1 2 357.498 2.826 20 30 FFEDLO CCCCC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001196700186 1003918386 /nfs/dbraw/zinc/91/83/86/1003918386.db2.gz AKJUHWCQRDACNI-NSISKUIASA-N 1 2 357.498 2.826 20 30 FFEDLO CC(C)[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001191696330 1003932402 /nfs/dbraw/zinc/93/24/02/1003932402.db2.gz DHTUWBSSYKVUAZ-KFKAGJAMSA-N 1 2 362.901 2.535 20 30 FFEDLO CC(C)[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001191696330 1003932405 /nfs/dbraw/zinc/93/24/05/1003932405.db2.gz DHTUWBSSYKVUAZ-KFKAGJAMSA-N 1 2 362.901 2.535 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2ccoc2)C3)c(F)c1 ZINC001096991969 1016853178 /nfs/dbraw/zinc/85/31/78/1016853178.db2.gz QVYDQHHVNGUHER-QRQLOZEOSA-N 1 2 353.397 2.755 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2ccoc2)C3)c(F)c1 ZINC001096991969 1016853188 /nfs/dbraw/zinc/85/31/88/1016853188.db2.gz QVYDQHHVNGUHER-QRQLOZEOSA-N 1 2 353.397 2.755 20 30 FFEDLO C#C[C@H](NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCO1 ZINC000775518394 1004116508 /nfs/dbraw/zinc/11/65/08/1004116508.db2.gz FRXQPZMPTXXOFG-WQDJSCAQSA-N 1 2 371.481 2.598 20 30 FFEDLO C#C[C@H](NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCO1 ZINC000775518394 1004116512 /nfs/dbraw/zinc/11/65/12/1004116512.db2.gz FRXQPZMPTXXOFG-WQDJSCAQSA-N 1 2 371.481 2.598 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@H](CC)c2ccc(F)cc2F)C[C@H]1O ZINC001192329390 1004129563 /nfs/dbraw/zinc/12/95/63/1004129563.db2.gz XHDVYSMAFJBVBD-GUDVDZBRSA-N 1 2 364.436 2.771 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)c2ccc(F)cc2F)C[C@H]1O ZINC001192329390 1004129566 /nfs/dbraw/zinc/12/95/66/1004129566.db2.gz XHDVYSMAFJBVBD-GUDVDZBRSA-N 1 2 364.436 2.771 20 30 FFEDLO CCC[C@@H](CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001197265805 1004147494 /nfs/dbraw/zinc/14/74/94/1004147494.db2.gz KWOSFKIJFGELLG-BHIYHBOVSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC[C@@H](CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001197265805 1004147504 /nfs/dbraw/zinc/14/75/04/1004147504.db2.gz KWOSFKIJFGELLG-BHIYHBOVSA-N 1 2 362.901 2.679 20 30 FFEDLO CCCCCCCC(=O)c1ccc(O)c(C(=O)n2cnc(C[NH3+])cc2=N)c1 ZINC001197365218 1004176346 /nfs/dbraw/zinc/17/63/46/1004176346.db2.gz IYYBXXZPMZCLAT-UHFFFAOYSA-N 1 2 370.453 2.759 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)c2ncc(C)o2)C1 ZINC001130602562 1004306651 /nfs/dbraw/zinc/30/66/51/1004306651.db2.gz IKOBHGRRJFLYTG-XYJFISCASA-N 1 2 371.485 2.718 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCCCC1 ZINC001110494558 1004316493 /nfs/dbraw/zinc/31/64/93/1004316493.db2.gz RJGFCZOHJGLXRM-AQNXPRMDSA-N 1 2 373.541 2.741 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCCCC1 ZINC001110494558 1004316503 /nfs/dbraw/zinc/31/65/03/1004316503.db2.gz RJGFCZOHJGLXRM-AQNXPRMDSA-N 1 2 373.541 2.741 20 30 FFEDLO N#Cc1cccc(NC(=S)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001197675643 1004318263 /nfs/dbraw/zinc/31/82/63/1004318263.db2.gz VRVZJVUIPMFJQI-IBGZPJMESA-N 1 2 366.490 2.746 20 30 FFEDLO N#Cc1cccc(NC(=S)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001197675643 1004318272 /nfs/dbraw/zinc/31/82/72/1004318272.db2.gz VRVZJVUIPMFJQI-IBGZPJMESA-N 1 2 366.490 2.746 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cc(C)cc(C)c1 ZINC001110494025 1004333013 /nfs/dbraw/zinc/33/30/13/1004333013.db2.gz FRGBRSYFYNDVID-AQNXPRMDSA-N 1 2 367.493 2.767 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cc(C)cc(C)c1 ZINC001110494025 1004333021 /nfs/dbraw/zinc/33/30/21/1004333021.db2.gz FRGBRSYFYNDVID-AQNXPRMDSA-N 1 2 367.493 2.767 20 30 FFEDLO C[C@H](CCC(C)(C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001197811888 1004355247 /nfs/dbraw/zinc/35/52/47/1004355247.db2.gz AUUFXQFOVXFWHK-KBRIMQKVSA-N 1 2 363.527 2.743 20 30 FFEDLO C[C@H](CCC(C)(C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001197811888 1004355256 /nfs/dbraw/zinc/35/52/56/1004355256.db2.gz AUUFXQFOVXFWHK-KBRIMQKVSA-N 1 2 363.527 2.743 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)cc2F)C[C@H]1O ZINC001193304338 1004444487 /nfs/dbraw/zinc/44/44/87/1004444487.db2.gz XFASCMGECYXMQE-CSMYWGQOSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)cc2F)C[C@H]1O ZINC001193304338 1004444492 /nfs/dbraw/zinc/44/44/92/1004444492.db2.gz XFASCMGECYXMQE-CSMYWGQOSA-N 1 2 352.425 2.789 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1O ZINC001198076316 1004471424 /nfs/dbraw/zinc/47/14/24/1004471424.db2.gz WJDRJHXOCWVBLA-QZTJIDSGSA-N 1 2 351.491 2.785 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1O ZINC001198076316 1004471430 /nfs/dbraw/zinc/47/14/30/1004471430.db2.gz WJDRJHXOCWVBLA-QZTJIDSGSA-N 1 2 351.491 2.785 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1O ZINC001198082001 1004473972 /nfs/dbraw/zinc/47/39/72/1004473972.db2.gz WTSDRWYPGHRYCR-QZTJIDSGSA-N 1 2 351.491 2.703 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1O ZINC001198082001 1004473982 /nfs/dbraw/zinc/47/39/82/1004473982.db2.gz WTSDRWYPGHRYCR-QZTJIDSGSA-N 1 2 351.491 2.703 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@H]1O ZINC001198081683 1004474376 /nfs/dbraw/zinc/47/43/76/1004474376.db2.gz QIBRTMJOMOQRMD-QZTJIDSGSA-N 1 2 363.502 2.502 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@H]1O ZINC001198081683 1004474378 /nfs/dbraw/zinc/47/43/78/1004474378.db2.gz QIBRTMJOMOQRMD-QZTJIDSGSA-N 1 2 363.502 2.502 20 30 FFEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2ccc3c(Cl)cccc3c2)CC1 ZINC001194255366 1004689885 /nfs/dbraw/zinc/68/98/85/1004689885.db2.gz ZIOPUDWHKOIOOR-UHFFFAOYSA-N 1 2 363.870 2.759 20 30 FFEDLO Cc1cc(N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)nc(C(C)C)[nH+]1 ZINC001050131596 1016901920 /nfs/dbraw/zinc/90/19/20/1016901920.db2.gz HKPWJVYCENKFGK-HIFRSBDPSA-N 1 2 352.442 2.505 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)c(Br)c1 ZINC001137639876 1004776379 /nfs/dbraw/zinc/77/63/79/1004776379.db2.gz LMNVNBVJJQUCTR-OAHLLOKOSA-N 1 2 362.271 2.811 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C3CC3)C2)c(Br)c1 ZINC001137639876 1004776385 /nfs/dbraw/zinc/77/63/85/1004776385.db2.gz LMNVNBVJJQUCTR-OAHLLOKOSA-N 1 2 362.271 2.811 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(OCCCCC)cc2)C1 ZINC001194690923 1004793667 /nfs/dbraw/zinc/79/36/67/1004793667.db2.gz KQIASVURDMQTNN-KRWDZBQOSA-N 1 2 364.511 2.632 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(OCCCCC)cc2)C1 ZINC001194690923 1004793674 /nfs/dbraw/zinc/79/36/74/1004793674.db2.gz KQIASVURDMQTNN-KRWDZBQOSA-N 1 2 364.511 2.632 20 30 FFEDLO CNC(=O)c1cc(C#N)cc(C)c1NC(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001194907305 1004841086 /nfs/dbraw/zinc/84/10/86/1004841086.db2.gz MZNCWDGFCDNFET-UHFFFAOYSA-N 1 2 373.416 2.879 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)c(OC)c2)C[C@H]1O ZINC001195531485 1004986657 /nfs/dbraw/zinc/98/66/57/1004986657.db2.gz CZIBPRJHCVQCMD-KBRIMQKVSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(OC)c2)C[C@H]1O ZINC001195531485 1004986662 /nfs/dbraw/zinc/98/66/62/1004986662.db2.gz CZIBPRJHCVQCMD-KBRIMQKVSA-N 1 2 366.889 2.612 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C(C)C ZINC001110547480 1005081413 /nfs/dbraw/zinc/08/14/13/1005081413.db2.gz MDBPMMVZNHMKSN-YSTOQKLRSA-N 1 2 355.482 2.841 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C(C)C ZINC001110547480 1005081415 /nfs/dbraw/zinc/08/14/15/1005081415.db2.gz MDBPMMVZNHMKSN-YSTOQKLRSA-N 1 2 355.482 2.841 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1N(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001488231442 1005132818 /nfs/dbraw/zinc/13/28/18/1005132818.db2.gz UTGZUAKFSUOHAK-SZUSHISOSA-N 1 2 370.497 2.755 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1N(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001488231442 1005132820 /nfs/dbraw/zinc/13/28/20/1005132820.db2.gz UTGZUAKFSUOHAK-SZUSHISOSA-N 1 2 370.497 2.755 20 30 FFEDLO C=CCCCC(=O)NCCC1=CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001489025475 1005397231 /nfs/dbraw/zinc/39/72/31/1005397231.db2.gz JRECWZLFLDXRPR-IAGOWNOFSA-N 1 2 356.470 2.535 20 30 FFEDLO C=CCCCC(=O)NCCC1=CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001489025475 1005397233 /nfs/dbraw/zinc/39/72/33/1005397233.db2.gz JRECWZLFLDXRPR-IAGOWNOFSA-N 1 2 356.470 2.535 20 30 FFEDLO C=C1CC(C)(C(=O)NCCC2=CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001489027385 1005397414 /nfs/dbraw/zinc/39/74/14/1005397414.db2.gz YRFLLWZHHNMAGE-IAGOWNOFSA-N 1 2 368.481 2.535 20 30 FFEDLO C=C1CC(C)(C(=O)NCCC2=CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001489027385 1005397416 /nfs/dbraw/zinc/39/74/16/1005397416.db2.gz YRFLLWZHHNMAGE-IAGOWNOFSA-N 1 2 368.481 2.535 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C(C)C ZINC001110596507 1005405952 /nfs/dbraw/zinc/40/59/52/1005405952.db2.gz MERYPTPDYZBXQK-XZDPQHSOSA-N 1 2 369.937 2.647 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C(C)C ZINC001110596507 1005405954 /nfs/dbraw/zinc/40/59/54/1005405954.db2.gz MERYPTPDYZBXQK-XZDPQHSOSA-N 1 2 369.937 2.647 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CSCC#N)CC[N@@H+]1Cc1ncc(C(C)C)o1 ZINC001489103287 1005409444 /nfs/dbraw/zinc/40/94/44/1005409444.db2.gz ICOOGSOEPIFNJW-UONOGXRCSA-N 1 2 350.488 2.524 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CSCC#N)CC[N@H+]1Cc1ncc(C(C)C)o1 ZINC001489103287 1005409446 /nfs/dbraw/zinc/40/94/46/1005409446.db2.gz ICOOGSOEPIFNJW-UONOGXRCSA-N 1 2 350.488 2.524 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)CC[C@@H]2C1 ZINC001489192814 1005427916 /nfs/dbraw/zinc/42/79/16/1005427916.db2.gz GDVSZZJVEKMCTQ-CVEARBPZSA-N 1 2 357.502 2.565 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)CC[C@@H]2C1 ZINC001489192814 1005427917 /nfs/dbraw/zinc/42/79/17/1005427917.db2.gz GDVSZZJVEKMCTQ-CVEARBPZSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](CC(=O)NCc2cccs2)[C@@H]1C ZINC001489289205 1005449945 /nfs/dbraw/zinc/44/99/45/1005449945.db2.gz WVCJLAOKAOUCMY-SIXWZSSISA-N 1 2 363.527 2.546 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2cccs2)[C@@H]1C ZINC001489289205 1005449947 /nfs/dbraw/zinc/44/99/47/1005449947.db2.gz WVCJLAOKAOUCMY-SIXWZSSISA-N 1 2 363.527 2.546 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)c1ccco1 ZINC001110610581 1005670818 /nfs/dbraw/zinc/67/08/18/1005670818.db2.gz JGQDIJBJVGRZIR-VQHPVUNQSA-N 1 2 359.470 2.535 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)c1ccco1 ZINC001110610581 1005670819 /nfs/dbraw/zinc/67/08/19/1005670819.db2.gz JGQDIJBJVGRZIR-VQHPVUNQSA-N 1 2 359.470 2.535 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852735233 1006162187 /nfs/dbraw/zinc/16/21/87/1006162187.db2.gz KANNGGYAMUMHJD-ARFHVFGLSA-N 1 2 371.497 2.737 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852735233 1006162192 /nfs/dbraw/zinc/16/21/92/1006162192.db2.gz KANNGGYAMUMHJD-ARFHVFGLSA-N 1 2 371.497 2.737 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2noc(CCC)n2)C1 ZINC001086717681 1006184363 /nfs/dbraw/zinc/18/43/63/1006184363.db2.gz KZDOQXTUAYYYMU-JKSUJKDBSA-N 1 2 371.485 2.698 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(Nc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001057429322 1017031137 /nfs/dbraw/zinc/03/11/37/1017031137.db2.gz JEDLKENWEKFDEL-SJORKVTESA-N 1 2 358.486 2.902 20 30 FFEDLO COC1(CC(=O)N2CC[C@H]3C[N@H+](Cc4cc(F)ccc4C#N)C[C@H]32)CCC1 ZINC001187723407 1006214406 /nfs/dbraw/zinc/21/44/06/1006214406.db2.gz NCWUQRTUSHFXGF-QFBILLFUSA-N 1 2 371.456 2.689 20 30 FFEDLO COC1(CC(=O)N2CC[C@H]3C[N@@H+](Cc4cc(F)ccc4C#N)C[C@H]32)CCC1 ZINC001187723407 1006214414 /nfs/dbraw/zinc/21/44/14/1006214414.db2.gz NCWUQRTUSHFXGF-QFBILLFUSA-N 1 2 371.456 2.689 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nc(-c4ccco4)no3)C[C@H]21 ZINC001187827304 1006285030 /nfs/dbraw/zinc/28/50/30/1006285030.db2.gz DKTGCMVLBWUCNP-HRCADAONSA-N 1 2 368.437 2.583 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3nc(-c4ccco4)no3)C[C@H]21 ZINC001187827304 1006285041 /nfs/dbraw/zinc/28/50/41/1006285041.db2.gz DKTGCMVLBWUCNP-HRCADAONSA-N 1 2 368.437 2.583 20 30 FFEDLO Cc1ccc(N2CC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)[C@@H](C)C2)cc1C ZINC000747969406 1006392519 /nfs/dbraw/zinc/39/25/19/1006392519.db2.gz NBVBEDZPTGTAPF-LAUBAEHRSA-N 1 2 354.498 2.622 20 30 FFEDLO Cc1ccc(N2CC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)[C@@H](C)C2)cc1C ZINC000747969406 1006392530 /nfs/dbraw/zinc/39/25/30/1006392530.db2.gz NBVBEDZPTGTAPF-LAUBAEHRSA-N 1 2 354.498 2.622 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1CC[C@H]2C[N@H+](CC(=C)Br)C[C@H]21)OCC ZINC001188095078 1006409497 /nfs/dbraw/zinc/40/94/97/1006409497.db2.gz FOCFHXXMDWHHFI-ARFHVFGLSA-N 1 2 371.319 2.799 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](CC(=C)Br)C[C@H]21)OCC ZINC001188095078 1006409503 /nfs/dbraw/zinc/40/95/03/1006409503.db2.gz FOCFHXXMDWHHFI-ARFHVFGLSA-N 1 2 371.319 2.799 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000853616067 1006476605 /nfs/dbraw/zinc/47/66/05/1006476605.db2.gz RXSGYUBPKOJAQZ-GOSISDBHSA-N 1 2 350.466 2.874 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000853616067 1006476612 /nfs/dbraw/zinc/47/66/12/1006476612.db2.gz RXSGYUBPKOJAQZ-GOSISDBHSA-N 1 2 350.466 2.874 20 30 FFEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000853629797 1006483968 /nfs/dbraw/zinc/48/39/68/1006483968.db2.gz LBXCGQIMQLGSLT-KPZWWZAWSA-N 1 2 361.396 2.827 20 30 FFEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000853629797 1006483976 /nfs/dbraw/zinc/48/39/76/1006483976.db2.gz LBXCGQIMQLGSLT-KPZWWZAWSA-N 1 2 361.396 2.827 20 30 FFEDLO CCN1CC[C@@H](O[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)C1=O ZINC000853659250 1006497570 /nfs/dbraw/zinc/49/75/70/1006497570.db2.gz UYRATUAYKPGULN-GOSISDBHSA-N 1 2 353.422 2.523 20 30 FFEDLO C#Cc1ccc(C(=O)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)cc1 ZINC001188729256 1006703709 /nfs/dbraw/zinc/70/37/09/1006703709.db2.gz ZENHEBQFSXJQPQ-SFHVURJKSA-N 1 2 372.428 2.611 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1coc(-c2cccc(F)c2)n1 ZINC001110401963 1006716166 /nfs/dbraw/zinc/71/61/66/1006716166.db2.gz SWGAASKUSZUBIP-XKDXWZMYSA-N 1 2 368.412 2.862 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1coc(-c2cccc(F)c2)n1 ZINC001110401963 1006716171 /nfs/dbraw/zinc/71/61/71/1006716171.db2.gz SWGAASKUSZUBIP-XKDXWZMYSA-N 1 2 368.412 2.862 20 30 FFEDLO C#Cc1cccc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2Cc2ccccc2)c1 ZINC000854263033 1006747688 /nfs/dbraw/zinc/74/76/88/1006747688.db2.gz SCJGTMBOTGCCSE-NRFANRHFSA-N 1 2 362.477 2.606 20 30 FFEDLO C#Cc1cccc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2Cc2ccccc2)c1 ZINC000854263033 1006747697 /nfs/dbraw/zinc/74/76/97/1006747697.db2.gz SCJGTMBOTGCCSE-NRFANRHFSA-N 1 2 362.477 2.606 20 30 FFEDLO C=CC[N@@H+](CCc1ccco1)CN1Cc2ccc(C(=O)OC)cc2C1=O ZINC000776763694 1007017674 /nfs/dbraw/zinc/01/76/74/1007017674.db2.gz OASTUNKVYAGGKH-UHFFFAOYSA-N 1 2 354.406 2.710 20 30 FFEDLO C=CC[N@H+](CCc1ccco1)CN1Cc2ccc(C(=O)OC)cc2C1=O ZINC000776763694 1007017677 /nfs/dbraw/zinc/01/76/77/1007017677.db2.gz OASTUNKVYAGGKH-UHFFFAOYSA-N 1 2 354.406 2.710 20 30 FFEDLO Cc1[nH]c2ccc(Cn3cc(C#N)c(I)n3)cc2[nH+]1 ZINC001189592355 1007156564 /nfs/dbraw/zinc/15/65/64/1007156564.db2.gz PQEHVVKTTRBZSU-UHFFFAOYSA-N 1 2 363.162 2.592 20 30 FFEDLO CNC(=O)c1cc(C#N)cc(C)c1NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190099414 1007448212 /nfs/dbraw/zinc/44/82/12/1007448212.db2.gz ITCIVGVCOOBGFM-UHFFFAOYSA-N 1 2 359.389 2.664 20 30 FFEDLO CON=Cc1ccc(C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000817179164 1007461443 /nfs/dbraw/zinc/46/14/43/1007461443.db2.gz YPKKCTOOUIQXOL-UHFFFAOYSA-N 1 2 368.433 2.856 20 30 FFEDLO C=C[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]21)c1ccccc1 ZINC001190280877 1007568467 /nfs/dbraw/zinc/56/84/67/1007568467.db2.gz BNISSHQIADQSKM-HFSMHLIXSA-N 1 2 364.493 2.813 20 30 FFEDLO C=C[C@@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]21)c1ccccc1 ZINC001190280877 1007568469 /nfs/dbraw/zinc/56/84/69/1007568469.db2.gz BNISSHQIADQSKM-HFSMHLIXSA-N 1 2 364.493 2.813 20 30 FFEDLO C=C[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(C)no3)C[C@H]21)c1ccccc1 ZINC001190281462 1007569534 /nfs/dbraw/zinc/56/95/34/1007569534.db2.gz IPQNHQZOFTUALV-YTQUADARSA-N 1 2 366.465 2.771 20 30 FFEDLO C=C[C@@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3nc(C)no3)C[C@H]21)c1ccccc1 ZINC001190281462 1007569537 /nfs/dbraw/zinc/56/95/37/1007569537.db2.gz IPQNHQZOFTUALV-YTQUADARSA-N 1 2 366.465 2.771 20 30 FFEDLO CO[C@H](C[NH+]1CCN(C(=O)c2cccc(C#N)c2F)CC1)c1ccccc1 ZINC001190538144 1007685837 /nfs/dbraw/zinc/68/58/37/1007685837.db2.gz UUEBCOATLLGMPP-LJQANCHMSA-N 1 2 367.424 2.843 20 30 FFEDLO Cc1ccc(C[NH+]2CCN(CC(=O)N(C)C3CCCCC3)CC2)cc1C#N ZINC001190838362 1007803128 /nfs/dbraw/zinc/80/31/28/1007803128.db2.gz ORCLLSQMAOAGNO-UHFFFAOYSA-N 1 2 368.525 2.775 20 30 FFEDLO CC(C)n1cc2c(n1)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)CCC2 ZINC000819218845 1008075392 /nfs/dbraw/zinc/07/53/92/1008075392.db2.gz VGGXJDFKHMGHTB-SFHVURJKSA-N 1 2 372.494 2.777 20 30 FFEDLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000859530084 1008547225 /nfs/dbraw/zinc/54/72/25/1008547225.db2.gz GJWPGHXXDCVVRR-UHFFFAOYSA-N 1 2 371.441 2.955 20 30 FFEDLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000859530084 1008547232 /nfs/dbraw/zinc/54/72/32/1008547232.db2.gz GJWPGHXXDCVVRR-UHFFFAOYSA-N 1 2 371.441 2.955 20 30 FFEDLO CN(CC(=O)Nc1ccc(C#N)cc1OC(F)(F)F)c1cccc[nH+]1 ZINC001177412874 1008600610 /nfs/dbraw/zinc/60/06/10/1008600610.db2.gz WPJKPLKHFCYLGK-UHFFFAOYSA-N 1 2 350.300 2.927 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc(-c3ccc(OC)cc3)s2)C1 ZINC001177759528 1008736856 /nfs/dbraw/zinc/73/68/56/1008736856.db2.gz RZJBLEJIDMZROZ-OAHLLOKOSA-N 1 2 355.463 2.646 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(-c3ccc(OC)cc3)s2)C1 ZINC001177759528 1008736865 /nfs/dbraw/zinc/73/68/65/1008736865.db2.gz RZJBLEJIDMZROZ-OAHLLOKOSA-N 1 2 355.463 2.646 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2csc(-c3ccco3)n2)C[C@H]1C ZINC001206585664 1032352644 /nfs/dbraw/zinc/35/26/44/1032352644.db2.gz ALPBCOHUIYTBCP-UKRRQHHQSA-N 1 2 361.467 2.542 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2csc(-c3ccco3)n2)C[C@H]1C ZINC001206585664 1032352650 /nfs/dbraw/zinc/35/26/50/1032352650.db2.gz ALPBCOHUIYTBCP-UKRRQHHQSA-N 1 2 361.467 2.542 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000139695105 1008990228 /nfs/dbraw/zinc/99/02/28/1008990228.db2.gz FZIVXVUHZNHQQF-INIZCTEOSA-N 1 2 362.433 2.869 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000139695105 1008990245 /nfs/dbraw/zinc/99/02/45/1008990245.db2.gz FZIVXVUHZNHQQF-INIZCTEOSA-N 1 2 362.433 2.869 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)CCOCC1 ZINC000826551858 1009074823 /nfs/dbraw/zinc/07/48/23/1009074823.db2.gz RIEFSTLLQGIEDT-FQEVSTJZSA-N 1 2 372.509 2.685 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)CCOCC1 ZINC000826551858 1009074839 /nfs/dbraw/zinc/07/48/39/1009074839.db2.gz RIEFSTLLQGIEDT-FQEVSTJZSA-N 1 2 372.509 2.685 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)[C@@]2(C)CC(C)(C)CN2C(=O)OC(C)(C)C)CC1 ZINC001178900002 1009185026 /nfs/dbraw/zinc/18/50/26/1009185026.db2.gz NFHBVDUWVIWMLF-HXUWFJFHSA-N 1 2 365.518 2.742 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@]12CCC[C@H]1CN(c1cc[nH+]c(C)n1)C2)OCC ZINC001093097449 1009821225 /nfs/dbraw/zinc/82/12/25/1009821225.db2.gz IASRWJANIUMQJY-QKLQHJQFSA-N 1 2 358.486 2.631 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccnn3CCc3ccccc3)CC2)cn1 ZINC000862422753 1009835919 /nfs/dbraw/zinc/83/59/19/1009835919.db2.gz IIKPJYRIGVFHAO-UHFFFAOYSA-N 1 2 372.476 2.715 20 30 FFEDLO N#Cc1c(F)cccc1C[N@@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000794553719 1010310195 /nfs/dbraw/zinc/31/01/95/1010310195.db2.gz NYCOKOQHWVOFFG-CVEARBPZSA-N 1 2 361.417 2.567 20 30 FFEDLO N#Cc1c(F)cccc1C[N@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000794553719 1010310207 /nfs/dbraw/zinc/31/02/07/1010310207.db2.gz NYCOKOQHWVOFFG-CVEARBPZSA-N 1 2 361.417 2.567 20 30 FFEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCO[C@H]3c3ccccc3)CC2)C1 ZINC001093583393 1010347727 /nfs/dbraw/zinc/34/77/27/1010347727.db2.gz PXJICENQZYLZPK-RTWAWAEBSA-N 1 2 370.493 2.642 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC001206911548 1032492776 /nfs/dbraw/zinc/49/27/76/1032492776.db2.gz UAZQAKTXCZXZJN-RHSMWYFYSA-N 1 2 361.873 2.519 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC001206911548 1032492780 /nfs/dbraw/zinc/49/27/80/1032492780.db2.gz UAZQAKTXCZXZJN-RHSMWYFYSA-N 1 2 361.873 2.519 20 30 FFEDLO C=C(C)C[C@@H]1NC(=O)N(C2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1=O ZINC000865305503 1010758760 /nfs/dbraw/zinc/75/87/60/1010758760.db2.gz PUTJZODLXSJOEC-SFHVURJKSA-N 1 2 356.470 2.608 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1C ZINC001206939807 1032513239 /nfs/dbraw/zinc/51/32/39/1032513239.db2.gz VHHMUQLULBLQRM-VQIMIIECSA-N 1 2 351.450 2.938 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1C ZINC001206939807 1032513245 /nfs/dbraw/zinc/51/32/45/1032513245.db2.gz VHHMUQLULBLQRM-VQIMIIECSA-N 1 2 351.450 2.938 20 30 FFEDLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)c1C ZINC001206939620 1032513860 /nfs/dbraw/zinc/51/38/60/1032513860.db2.gz NCJPLVIYFOKIPR-IMFGXOCKSA-N 1 2 369.509 2.726 20 30 FFEDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)c1C ZINC001206939620 1032513862 /nfs/dbraw/zinc/51/38/62/1032513862.db2.gz NCJPLVIYFOKIPR-IMFGXOCKSA-N 1 2 369.509 2.726 20 30 FFEDLO COc1ccc(C[C@](C)(O)C[NH2+][C@H](C)c2cccc(C#N)c2O)cc1OC ZINC000866361158 1010983680 /nfs/dbraw/zinc/98/36/80/1010983680.db2.gz KECMHEALVNYTSJ-SZNDQCEHSA-N 1 2 370.449 2.925 20 30 FFEDLO O=C(C#CC1CCCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(=O)[nH]1 ZINC001274701877 1011602477 /nfs/dbraw/zinc/60/24/77/1011602477.db2.gz KXYZKSCPPIOUKI-KDURUIRLSA-N 1 2 353.466 2.546 20 30 FFEDLO O=C(C#CC1CCCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(=O)[nH]1 ZINC001274701877 1011602481 /nfs/dbraw/zinc/60/24/81/1011602481.db2.gz KXYZKSCPPIOUKI-KDURUIRLSA-N 1 2 353.466 2.546 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCC(C)(C#N)CC3)C2)c1 ZINC000869096029 1011607475 /nfs/dbraw/zinc/60/74/75/1011607475.db2.gz FBIWSCDKDZYEOM-LJQANCHMSA-N 1 2 370.497 2.531 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCC(C)(C#N)CC3)C2)c1 ZINC000869096029 1011607487 /nfs/dbraw/zinc/60/74/87/1011607487.db2.gz FBIWSCDKDZYEOM-LJQANCHMSA-N 1 2 370.497 2.531 20 30 FFEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172081169 1011617251 /nfs/dbraw/zinc/61/72/51/1011617251.db2.gz SUVOGMVKFBORQJ-XGUBFFRZSA-N 1 2 372.531 2.758 20 30 FFEDLO C#CCCCCCCCCC(=O)N1CC2(C1)CC[N@@H+](COCCOC)C2 ZINC001274795349 1011664655 /nfs/dbraw/zinc/66/46/55/1011664655.db2.gz FQSGRKVYBRZHKR-UHFFFAOYSA-N 1 2 364.530 2.895 20 30 FFEDLO C#CCCCCCCCCC(=O)N1CC2(C1)CC[N@H+](COCCOC)C2 ZINC001274795349 1011664666 /nfs/dbraw/zinc/66/46/66/1011664666.db2.gz FQSGRKVYBRZHKR-UHFFFAOYSA-N 1 2 364.530 2.895 20 30 FFEDLO C=CCN1C[C@]2(CC[N@H+](Cc3csc(-c4ccccc4)n3)C2)OCC1=O ZINC001275059258 1011863633 /nfs/dbraw/zinc/86/36/33/1011863633.db2.gz HSYIWKDXDWVIKM-HXUWFJFHSA-N 1 2 369.490 2.799 20 30 FFEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3csc(-c4ccccc4)n3)C2)OCC1=O ZINC001275059258 1011863648 /nfs/dbraw/zinc/86/36/48/1011863648.db2.gz HSYIWKDXDWVIKM-HXUWFJFHSA-N 1 2 369.490 2.799 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(C#N)ccc1Cl)C2 ZINC001275234678 1012122028 /nfs/dbraw/zinc/12/20/28/1012122028.db2.gz RAMNOEHXAPJFCR-FQEVSTJZSA-N 1 2 373.884 2.839 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(C#N)ccc1Cl)C2 ZINC001275234678 1012122033 /nfs/dbraw/zinc/12/20/33/1012122033.db2.gz RAMNOEHXAPJFCR-FQEVSTJZSA-N 1 2 373.884 2.839 20 30 FFEDLO COc1cccc([C@H]2CN(C(=O)[C@@H](C)Oc3ccccc3C#N)CC[NH2+]2)c1 ZINC000870147386 1012201032 /nfs/dbraw/zinc/20/10/32/1012201032.db2.gz CIJXPNYSSFYIMO-DNVCBOLYSA-N 1 2 365.433 2.507 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@]23CCN(Cc2cnoc2)C3=O)c1Cl ZINC001275308439 1012260150 /nfs/dbraw/zinc/26/01/50/1012260150.db2.gz NEIMMRZLZYJEGZ-IBGZPJMESA-N 1 2 370.840 2.967 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CCC[C@@]23CCN(Cc2cnoc2)C3=O)c1Cl ZINC001275308439 1012260162 /nfs/dbraw/zinc/26/01/62/1012260162.db2.gz NEIMMRZLZYJEGZ-IBGZPJMESA-N 1 2 370.840 2.967 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccn2)C3)ccc1F ZINC001095097122 1012412311 /nfs/dbraw/zinc/41/23/11/1012412311.db2.gz OWIITZRXZKLTNS-MNEFBYGVSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccn2)C3)ccc1F ZINC001095097122 1012412321 /nfs/dbraw/zinc/41/23/21/1012412321.db2.gz OWIITZRXZKLTNS-MNEFBYGVSA-N 1 2 350.397 2.628 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)c1ccon1 ZINC001095211952 1012716969 /nfs/dbraw/zinc/71/69/69/1012716969.db2.gz UJUTWMDEJPDXLT-NJAFHUGGSA-N 1 2 355.825 2.715 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)c1ccon1 ZINC001095211952 1012716985 /nfs/dbraw/zinc/71/69/85/1012716985.db2.gz UJUTWMDEJPDXLT-NJAFHUGGSA-N 1 2 355.825 2.715 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)c1ccc(F)nc1 ZINC001095234208 1012802369 /nfs/dbraw/zinc/80/23/69/1012802369.db2.gz LPFHQJUCADLMLS-QYZOEREBSA-N 1 2 367.399 2.747 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)c1ccc(F)nc1 ZINC001095234208 1012802396 /nfs/dbraw/zinc/80/23/96/1012802396.db2.gz LPFHQJUCADLMLS-QYZOEREBSA-N 1 2 367.399 2.747 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(F)cc1Cl)C2 ZINC001275690139 1012869175 /nfs/dbraw/zinc/86/91/75/1012869175.db2.gz DXGQRJRTLWMPCZ-SFHVURJKSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(F)cc1Cl)C2 ZINC001275690139 1012869189 /nfs/dbraw/zinc/86/91/89/1012869189.db2.gz DXGQRJRTLWMPCZ-SFHVURJKSA-N 1 2 352.837 2.716 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cc(C)[nH+]c(C3CC3)n2)c1 ZINC001055192307 1017136865 /nfs/dbraw/zinc/13/68/65/1017136865.db2.gz YXQYKIJJWZCGPO-QYZOEREBSA-N 1 2 373.460 2.578 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccccc3c(=O)o1)C2 ZINC001097144900 1017138133 /nfs/dbraw/zinc/13/81/33/1017138133.db2.gz YVZMQJOXGZPFSU-BMFZPTHFSA-N 1 2 358.825 2.881 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccccc3c(=O)o1)C2 ZINC001097144900 1017138145 /nfs/dbraw/zinc/13/81/45/1017138145.db2.gz YVZMQJOXGZPFSU-BMFZPTHFSA-N 1 2 358.825 2.881 20 30 FFEDLO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[nH]c1-c1ccccn1)C2 ZINC001097193970 1017174427 /nfs/dbraw/zinc/17/44/27/1017174427.db2.gz GYBBXELLMKIARB-OLMNPRSZSA-N 1 2 351.454 2.773 20 30 FFEDLO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[nH]c1-c1ccccn1)C2 ZINC001097193970 1017174432 /nfs/dbraw/zinc/17/44/32/1017174432.db2.gz GYBBXELLMKIARB-OLMNPRSZSA-N 1 2 351.454 2.773 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(OC)ns1 ZINC001097223736 1017217183 /nfs/dbraw/zinc/21/71/83/1017217183.db2.gz DTMYHOIFSFYKLS-BMFZPTHFSA-N 1 2 372.494 2.675 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(OC)ns1 ZINC001097223736 1017217190 /nfs/dbraw/zinc/21/71/90/1017217190.db2.gz DTMYHOIFSFYKLS-BMFZPTHFSA-N 1 2 372.494 2.675 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1ccco1 ZINC001110888568 1017221722 /nfs/dbraw/zinc/22/17/22/1017221722.db2.gz KBRBFTOPDRBXPZ-NXHRZFHOSA-N 1 2 373.497 2.562 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1ccco1 ZINC001110888568 1017221731 /nfs/dbraw/zinc/22/17/31/1017221731.db2.gz KBRBFTOPDRBXPZ-NXHRZFHOSA-N 1 2 373.497 2.562 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1COCC[N@@H+]1CC1=CCCCC1 ZINC001051151917 1017240905 /nfs/dbraw/zinc/24/09/05/1017240905.db2.gz ACDUSDHCRKHLNQ-UFYCRDLUSA-N 1 2 362.514 2.675 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1COCC[N@H+]1CC1=CCCCC1 ZINC001051151917 1017240914 /nfs/dbraw/zinc/24/09/14/1017240914.db2.gz ACDUSDHCRKHLNQ-UFYCRDLUSA-N 1 2 362.514 2.675 20 30 FFEDLO CC[C@@H]([NH2+]Cc1ccc(OCCO)c(OC)c1)c1cccc(C#N)c1O ZINC000924727013 1017451727 /nfs/dbraw/zinc/45/17/27/1017451727.db2.gz CHYCDIDGIZTWRH-QGZVFWFLSA-N 1 2 356.422 2.884 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(CC(C)C)CC(C)C)[C@@H]2C1 ZINC001222058380 1032715411 /nfs/dbraw/zinc/71/54/11/1032715411.db2.gz UFXVLVPWOXANSS-IEBWSBKVSA-N 1 2 363.546 2.530 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(CC(C)C)CC(C)C)[C@@H]2C1 ZINC001222058380 1032715424 /nfs/dbraw/zinc/71/54/24/1032715424.db2.gz UFXVLVPWOXANSS-IEBWSBKVSA-N 1 2 363.546 2.530 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@]12CCC[C@H]1CN(c1cc[nH+]c(C)n1)C2 ZINC001055591978 1017742122 /nfs/dbraw/zinc/74/21/22/1017742122.db2.gz XVCWJLGRVCQZJD-JXFKEZNVSA-N 1 2 351.454 2.561 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(c3cccnc3)CC1)C2 ZINC001097696445 1017809691 /nfs/dbraw/zinc/80/96/91/1017809691.db2.gz XGNIFWUJLWBYOU-NJYVYQBISA-N 1 2 372.472 2.907 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(c3cccnc3)CC1)C2 ZINC001097696445 1017809712 /nfs/dbraw/zinc/80/97/12/1017809712.db2.gz XGNIFWUJLWBYOU-NJYVYQBISA-N 1 2 372.472 2.907 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2c(C)nnn2CC)CC1 ZINC001097789733 1017962522 /nfs/dbraw/zinc/96/25/22/1017962522.db2.gz UAELBLSGAMQDTG-KURKYZTESA-N 1 2 357.502 2.574 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2c(C)nnn2CC)CC1 ZINC001097789733 1017962536 /nfs/dbraw/zinc/96/25/36/1017962536.db2.gz UAELBLSGAMQDTG-KURKYZTESA-N 1 2 357.502 2.574 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)c1 ZINC001097812264 1017975011 /nfs/dbraw/zinc/97/50/11/1017975011.db2.gz BMYLPQRZGXRVJV-NRSPTQNISA-N 1 2 374.419 2.609 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)c1 ZINC001097812264 1017975020 /nfs/dbraw/zinc/97/50/20/1017975020.db2.gz BMYLPQRZGXRVJV-NRSPTQNISA-N 1 2 374.419 2.609 20 30 FFEDLO CCc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)ccn1C ZINC001097852158 1018012492 /nfs/dbraw/zinc/01/24/92/1018012492.db2.gz XNBLLYIDDIZGHS-QFUCXCTJSA-N 1 2 362.477 2.994 20 30 FFEDLO CCc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)ccn1C ZINC001097852158 1018012505 /nfs/dbraw/zinc/01/25/05/1018012505.db2.gz XNBLLYIDDIZGHS-QFUCXCTJSA-N 1 2 362.477 2.994 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2nccc(C)n2)C1 ZINC001052750695 1018080902 /nfs/dbraw/zinc/08/09/02/1018080902.db2.gz ZQZFJPVJWQNVBL-JXXFODFXSA-N 1 2 368.485 2.527 20 30 FFEDLO CC[C@@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1cccc(C#N)c1O ZINC000926568950 1018162588 /nfs/dbraw/zinc/16/25/88/1018162588.db2.gz DWJIGQHTKFAYKD-IAGOWNOFSA-N 1 2 360.454 2.720 20 30 FFEDLO CC[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cccc(C#N)c1O ZINC000926773178 1018246548 /nfs/dbraw/zinc/24/65/48/1018246548.db2.gz UVNQSJNHJOCXFP-QUCCMNQESA-N 1 2 366.465 2.601 20 30 FFEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)CCO2 ZINC001053353817 1018263593 /nfs/dbraw/zinc/26/35/93/1018263593.db2.gz AYVYKIOMJQHKRT-DLBZAZTESA-N 1 2 362.420 2.558 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(C[NH+]([C@H](C)c3cccc(C)c3)C2)C1 ZINC001053437394 1018301553 /nfs/dbraw/zinc/30/15/53/1018301553.db2.gz UFXBGSCKHKAMCB-RLLQIKCJSA-N 1 2 370.493 2.560 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927099181 1018361154 /nfs/dbraw/zinc/36/11/54/1018361154.db2.gz BFPIGVFDFGGKII-HNNXBMFYSA-N 1 2 350.422 2.824 20 30 FFEDLO Cc1cc(NC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC001053672263 1018410921 /nfs/dbraw/zinc/41/09/21/1018410921.db2.gz UIZPENRRXGSOIL-MLGOLLRUSA-N 1 2 364.453 2.682 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1)O2 ZINC001053676105 1018412116 /nfs/dbraw/zinc/41/21/16/1018412116.db2.gz XIZVOPGWKCKBEN-SLFFLAALSA-N 1 2 370.493 2.724 20 30 FFEDLO Cc1nc(N[C@@H]2CN(C(=O)[C@@H](C)C#N)CC[C@H]2c2ccc(F)cc2)cc[nH+]1 ZINC001041687759 1018815602 /nfs/dbraw/zinc/81/56/02/1018815602.db2.gz VFFSEBDBAOYFJP-DOPJRALCSA-N 1 2 367.428 2.880 20 30 FFEDLO CN(C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1cccc(F)c1C#N ZINC001067807663 1019145399 /nfs/dbraw/zinc/14/53/99/1019145399.db2.gz IRZMJMQHUOWQGO-RBSFLKMASA-N 1 2 367.428 2.651 20 30 FFEDLO CN(C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1cccc(F)c1C#N ZINC001067807663 1019145405 /nfs/dbraw/zinc/14/54/05/1019145405.db2.gz IRZMJMQHUOWQGO-RBSFLKMASA-N 1 2 367.428 2.651 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000801602263 1019162020 /nfs/dbraw/zinc/16/20/20/1019162020.db2.gz YZHXVTJWCKJYMS-GOSISDBHSA-N 1 2 353.378 2.855 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000801602263 1019162024 /nfs/dbraw/zinc/16/20/24/1019162024.db2.gz YZHXVTJWCKJYMS-GOSISDBHSA-N 1 2 353.378 2.855 20 30 FFEDLO Cn1nc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C(F)(F)F ZINC000929236435 1019328062 /nfs/dbraw/zinc/32/80/62/1019328062.db2.gz JOEIWXBJECYOCQ-UHFFFAOYSA-N 1 2 363.387 2.628 20 30 FFEDLO Cc1nsc(N[C@@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1C#N ZINC001047584119 1019417854 /nfs/dbraw/zinc/41/78/54/1019417854.db2.gz YVEATRWYFQCKHV-REWJHTLYSA-N 1 2 370.482 2.547 20 30 FFEDLO Cc1nsc(N[C@@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1C#N ZINC001047584119 1019417863 /nfs/dbraw/zinc/41/78/63/1019417863.db2.gz YVEATRWYFQCKHV-REWJHTLYSA-N 1 2 370.482 2.547 20 30 FFEDLO Cc1cc(C)c(C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3C#N)C2)c(C)[nH+]1 ZINC001047617527 1019453536 /nfs/dbraw/zinc/45/35/36/1019453536.db2.gz YMHODYQKLFKKJQ-JKSUJKDBSA-N 1 2 364.453 2.679 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C[C@H]1C)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001047634641 1019462386 /nfs/dbraw/zinc/46/23/86/1019462386.db2.gz BCUXRBRGZZTABK-NXHRZFHOSA-N 1 2 370.497 2.584 20 30 FFEDLO C=CCCCC(=O)N1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001069759863 1019589368 /nfs/dbraw/zinc/58/93/68/1019589368.db2.gz JIXIYRZNAVVQQP-LZJOCLMNSA-N 1 2 370.497 2.711 20 30 FFEDLO C=CCCCC(=O)N1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001069759863 1019589373 /nfs/dbraw/zinc/58/93/73/1019589373.db2.gz JIXIYRZNAVVQQP-LZJOCLMNSA-N 1 2 370.497 2.711 20 30 FFEDLO COc1cc(C#N)ccc1OS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000777816093 1019626228 /nfs/dbraw/zinc/62/62/28/1019626228.db2.gz KBQDAVXPOYUTAA-UHFFFAOYSA-N 1 2 369.402 2.579 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)c1 ZINC001095987313 1019705361 /nfs/dbraw/zinc/70/53/61/1019705361.db2.gz CQKHINBCVCDHQL-GIVPXCGWSA-N 1 2 374.419 2.609 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)c1 ZINC001095987313 1019705380 /nfs/dbraw/zinc/70/53/80/1019705380.db2.gz CQKHINBCVCDHQL-GIVPXCGWSA-N 1 2 374.419 2.609 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CCC(C)C)n2Cc2ccccc2)CC1 ZINC000802167845 1019826202 /nfs/dbraw/zinc/82/62/02/1019826202.db2.gz CSSBBEJTODWYSY-UHFFFAOYSA-N 1 2 351.498 2.670 20 30 FFEDLO Cc1nc(NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H](C)C#N)c2c([nH+]1)CCCC2 ZINC001048062352 1019830579 /nfs/dbraw/zinc/83/05/79/1019830579.db2.gz ZDMPAEKIOXDBGG-YCPHGPKFSA-N 1 2 355.486 2.863 20 30 FFEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2cncc(C#N)c2)CCN1Cc1cncc(C#N)c1 ZINC000930079748 1019862367 /nfs/dbraw/zinc/86/23/67/1019862367.db2.gz IOIVTDCQNZAYML-HTAPYJJXSA-N 1 2 374.492 2.952 20 30 FFEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2cncc(C#N)c2)CCN1Cc1cncc(C#N)c1 ZINC000930079748 1019862382 /nfs/dbraw/zinc/86/23/82/1019862382.db2.gz IOIVTDCQNZAYML-HTAPYJJXSA-N 1 2 374.492 2.952 20 30 FFEDLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CCCOC1 ZINC001098116635 1019876310 /nfs/dbraw/zinc/87/63/10/1019876310.db2.gz PYVWIYGBOOCUTQ-WERVVEIQSA-N 1 2 353.466 2.596 20 30 FFEDLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CCCOC1 ZINC001098116635 1019876326 /nfs/dbraw/zinc/87/63/26/1019876326.db2.gz PYVWIYGBOOCUTQ-WERVVEIQSA-N 1 2 353.466 2.596 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CCc2ccccc2)CC1 ZINC000802285656 1019964754 /nfs/dbraw/zinc/96/47/54/1019964754.db2.gz GYMFAODLBTVIDR-SFHVURJKSA-N 1 2 351.498 2.790 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)CC)CC1 ZINC001110987791 1020012565 /nfs/dbraw/zinc/01/25/65/1020012565.db2.gz FOVFMJIIBWCJPB-ZACQAIPSSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)CC)CC1 ZINC001110987791 1020012580 /nfs/dbraw/zinc/01/25/80/1020012580.db2.gz FOVFMJIIBWCJPB-ZACQAIPSSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC(C)(C)C)CC1 ZINC001110988095 1020015639 /nfs/dbraw/zinc/01/56/39/1020015639.db2.gz OUKHXJSOMZTREK-ZACQAIPSSA-N 1 2 361.530 2.617 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC(C)(C)C)CC1 ZINC001110988095 1020015649 /nfs/dbraw/zinc/01/56/49/1020015649.db2.gz OUKHXJSOMZTREK-ZACQAIPSSA-N 1 2 361.530 2.617 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001110989476 1020022777 /nfs/dbraw/zinc/02/27/77/1020022777.db2.gz MXPLBICXVIPHLN-NXWNEQKCSA-N 1 2 369.509 2.973 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001110989476 1020022789 /nfs/dbraw/zinc/02/27/89/1020022789.db2.gz MXPLBICXVIPHLN-NXWNEQKCSA-N 1 2 369.509 2.973 20 30 FFEDLO CC(C)[C@@H](CC1CCCC1)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070696492 1020072926 /nfs/dbraw/zinc/07/29/26/1020072926.db2.gz VXPSIUHCIIJEQM-GUDVDZBRSA-N 1 2 371.529 2.680 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc(C)n1 ZINC001045781081 1020128186 /nfs/dbraw/zinc/12/81/86/1020128186.db2.gz UWUNOKJDJUWKTL-HCXYKTFWSA-N 1 2 359.470 2.530 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc(C)n1 ZINC001045781081 1020128190 /nfs/dbraw/zinc/12/81/90/1020128190.db2.gz UWUNOKJDJUWKTL-HCXYKTFWSA-N 1 2 359.470 2.530 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110998048 1020175912 /nfs/dbraw/zinc/17/59/12/1020175912.db2.gz ZOJINDIMYQOQEA-ZRNYENFQSA-N 1 2 355.482 2.841 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110998048 1020175920 /nfs/dbraw/zinc/17/59/20/1020175920.db2.gz ZOJINDIMYQOQEA-ZRNYENFQSA-N 1 2 355.482 2.841 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001046327092 1020591074 /nfs/dbraw/zinc/59/10/74/1020591074.db2.gz GQJWFFNXPVFEDW-OXFYSEKESA-N 1 2 361.486 2.860 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001046327092 1020591080 /nfs/dbraw/zinc/59/10/80/1020591080.db2.gz GQJWFFNXPVFEDW-OXFYSEKESA-N 1 2 361.486 2.860 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)N[C@H](CC#N)C(F)(F)F)c1ccccc1 ZINC000932893900 1020920403 /nfs/dbraw/zinc/92/04/03/1020920403.db2.gz PIZMWFXCUVUCRI-ZIAGYGMSSA-N 1 2 365.359 2.848 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)nn1 ZINC000933068944 1020949161 /nfs/dbraw/zinc/94/91/61/1020949161.db2.gz IQLCOJZOEPNSAP-GOSISDBHSA-N 1 2 354.454 2.705 20 30 FFEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)nc1-c1ccncc1 ZINC000749798487 1021036524 /nfs/dbraw/zinc/03/65/24/1021036524.db2.gz IPDVDXPWJASLPZ-IRXDYDNUSA-N 1 2 371.510 2.978 20 30 FFEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)nc1-c1ccncc1 ZINC000749798487 1021036526 /nfs/dbraw/zinc/03/65/26/1021036526.db2.gz IPDVDXPWJASLPZ-IRXDYDNUSA-N 1 2 371.510 2.978 20 30 FFEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933626229 1021052891 /nfs/dbraw/zinc/05/28/91/1021052891.db2.gz XEJVINWEOSCLPF-QGZVFWFLSA-N 1 2 366.446 2.894 20 30 FFEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933626229 1021052893 /nfs/dbraw/zinc/05/28/93/1021052893.db2.gz XEJVINWEOSCLPF-QGZVFWFLSA-N 1 2 366.446 2.894 20 30 FFEDLO CCC(C)(C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218014117 1032953592 /nfs/dbraw/zinc/95/35/92/1032953592.db2.gz PTRVEPJPMDUFHG-DLBZAZTESA-N 1 2 361.511 2.858 20 30 FFEDLO CCC(C)(C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218014117 1032953600 /nfs/dbraw/zinc/95/36/00/1032953600.db2.gz PTRVEPJPMDUFHG-DLBZAZTESA-N 1 2 361.511 2.858 20 30 FFEDLO Cc1ncoc1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001098775593 1021133797 /nfs/dbraw/zinc/13/37/97/1021133797.db2.gz XTRKEROFWMTFHF-JXFKEZNVSA-N 1 2 368.412 2.778 20 30 FFEDLO Cc1ncoc1C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001098775593 1021133799 /nfs/dbraw/zinc/13/37/99/1021133799.db2.gz XTRKEROFWMTFHF-JXFKEZNVSA-N 1 2 368.412 2.778 20 30 FFEDLO C=C(C)c1cccc(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000934879985 1021444315 /nfs/dbraw/zinc/44/43/15/1021444315.db2.gz UELGTPAJMCJYRE-UHFFFAOYSA-N 1 2 355.442 2.892 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2nnc(C)n2CC)C3)CC1 ZINC001099012170 1021590156 /nfs/dbraw/zinc/59/01/56/1021590156.db2.gz RBDRGRITOPHCEL-RXVVDRJESA-N 1 2 371.529 2.824 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2nnc(C)n2CC)C3)CC1 ZINC001099012170 1021590170 /nfs/dbraw/zinc/59/01/70/1021590170.db2.gz RBDRGRITOPHCEL-RXVVDRJESA-N 1 2 371.529 2.824 20 30 FFEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001015324275 1021913101 /nfs/dbraw/zinc/91/31/01/1021913101.db2.gz HDJZBLRQHHOKJB-OJAHFUOMSA-N 1 2 372.896 2.697 20 30 FFEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001015324275 1021913110 /nfs/dbraw/zinc/91/31/10/1021913110.db2.gz HDJZBLRQHHOKJB-OJAHFUOMSA-N 1 2 372.896 2.697 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015816255 1021960549 /nfs/dbraw/zinc/96/05/49/1021960549.db2.gz ITWJLEIVJDIPBF-UFYCRDLUSA-N 1 2 353.466 2.620 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015816255 1021960563 /nfs/dbraw/zinc/96/05/63/1021960563.db2.gz ITWJLEIVJDIPBF-UFYCRDLUSA-N 1 2 353.466 2.620 20 30 FFEDLO N#Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1C(F)(F)F ZINC001099209826 1022088605 /nfs/dbraw/zinc/08/86/05/1022088605.db2.gz BOZNWLCPXOGDED-GDBMZVCRSA-N 1 2 362.355 2.679 20 30 FFEDLO C[C@H]1C[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001099292638 1022236836 /nfs/dbraw/zinc/23/68/36/1022236836.db2.gz SQYSGZRXNDNXKI-MZORAGNBSA-N 1 2 369.362 2.832 20 30 FFEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1 ZINC001017747909 1022296040 /nfs/dbraw/zinc/29/60/40/1022296040.db2.gz XOOXMYHMSBQJOO-JRSUCEMESA-N 1 2 365.477 2.549 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1 ZINC001017747909 1022296052 /nfs/dbraw/zinc/29/60/52/1022296052.db2.gz XOOXMYHMSBQJOO-JRSUCEMESA-N 1 2 365.477 2.549 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001099710977 1022780752 /nfs/dbraw/zinc/78/07/52/1022780752.db2.gz MFRGJWWDBABHOB-QBIMZIAESA-N 1 2 358.486 2.562 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@@H]3CCCC[C@@H]3C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001122396102 1023241993 /nfs/dbraw/zinc/24/19/93/1023241993.db2.gz WXNFAUBAOKYFHP-XKGFGPFHSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@@H]3CCCC[C@@H]3C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001122396102 1023241999 /nfs/dbraw/zinc/24/19/99/1023241999.db2.gz WXNFAUBAOKYFHP-XKGFGPFHSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C ZINC001122400215 1023245880 /nfs/dbraw/zinc/24/58/80/1023245880.db2.gz OADLUEPWYUXDQX-HOTGVXAUSA-N 1 2 372.517 2.818 20 30 FFEDLO CC[C@H]1OC(C)=C(Oc2ccc(C[C@H]([NH3+])C(=O)OC(C)(C)C)cc2)C1=O ZINC001218354705 1033119539 /nfs/dbraw/zinc/11/95/39/1033119539.db2.gz VDEVGDMURVPDSE-JKSUJKDBSA-N 1 2 361.438 2.886 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001122479467 1023295831 /nfs/dbraw/zinc/29/58/31/1023295831.db2.gz UELKAXUBAZQXES-CALCHBBNSA-N 1 2 361.534 2.541 20 30 FFEDLO C=C(C)Cn1c(N2CCCC(C)(C)CC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001122482670 1023296616 /nfs/dbraw/zinc/29/66/16/1023296616.db2.gz OJFMARXFUXSTKW-JXFKEZNVSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCCC(C)(C)CC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001122482670 1023296622 /nfs/dbraw/zinc/29/66/22/1023296622.db2.gz OJFMARXFUXSTKW-JXFKEZNVSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[C@@H]2C#N)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001122523861 1023317534 /nfs/dbraw/zinc/31/75/34/1023317534.db2.gz OMGFRIGRQXROOJ-WBVHZDCISA-N 1 2 363.469 2.957 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N(C)Cc1nnc(C)s1 ZINC001122536574 1023326292 /nfs/dbraw/zinc/32/62/92/1023326292.db2.gz HGNNBWJXNCHQFW-UHFFFAOYSA-N 1 2 361.519 2.636 20 30 FFEDLO C=CC[C@H]1CCCN(c2nnc(C[NH+]3CCC(CO)CC3)n2CC(=C)C)C1 ZINC001122566887 1023342647 /nfs/dbraw/zinc/34/26/47/1023342647.db2.gz KVEIAVJZBJOCSN-SFHVURJKSA-N 1 2 373.545 2.851 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001122567958 1023343317 /nfs/dbraw/zinc/34/33/17/1023343317.db2.gz UHPBKSNSRMWEDW-LJQANCHMSA-N 1 2 373.545 2.685 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001122568286 1023343360 /nfs/dbraw/zinc/34/33/60/1023343360.db2.gz ZKNQPMMQCXUWDZ-IRXDYDNUSA-N 1 2 361.534 2.683 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCS[C@H](C)C1 ZINC001122629928 1023378430 /nfs/dbraw/zinc/37/84/30/1023378430.db2.gz QGUORNPSBPQJPZ-HZPDHXFCSA-N 1 2 365.547 2.578 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCS[C@H](C)C1 ZINC001122629928 1023378434 /nfs/dbraw/zinc/37/84/34/1023378434.db2.gz QGUORNPSBPQJPZ-HZPDHXFCSA-N 1 2 365.547 2.578 20 30 FFEDLO COC(=O)c1ccccc1-c1ccc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)o1 ZINC000753937236 1023402307 /nfs/dbraw/zinc/40/23/07/1023402307.db2.gz XAYZWYSHFAHQSL-IRXDYDNUSA-N 1 2 366.421 2.927 20 30 FFEDLO COCCOCc1cc(C#N)ccc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001120995806 1023561313 /nfs/dbraw/zinc/56/13/13/1023561313.db2.gz ZXQOAXBRNRJLSF-UHFFFAOYSA-N 1 2 366.465 2.745 20 30 FFEDLO CN(C)c1cc(COC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cc[nH+]1 ZINC000755911987 1023650560 /nfs/dbraw/zinc/65/05/60/1023650560.db2.gz AROPZLWUMVFPLY-SFHVURJKSA-N 1 2 350.422 2.731 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001100746580 1023678727 /nfs/dbraw/zinc/67/87/27/1023678727.db2.gz IASKLRCTPVAUCP-SJORKVTESA-N 1 2 360.502 2.832 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc(Cc3[nH+]ccn3Cc3ccccc3)n2C)C1 ZINC001121268834 1023680542 /nfs/dbraw/zinc/68/05/42/1023680542.db2.gz WUJBZEUNCUVAMU-SFHVURJKSA-N 1 2 374.492 2.890 20 30 FFEDLO CCN(Cc1cccs1)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001121415723 1023760741 /nfs/dbraw/zinc/76/07/41/1023760741.db2.gz RRLZBOARESJQCI-UHFFFAOYSA-N 1 2 358.515 2.996 20 30 FFEDLO C=CCn1c([C@H](CC)[C@@H](C)O)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001121489634 1023805852 /nfs/dbraw/zinc/80/58/52/1023805852.db2.gz NYVUCMSLTZQSNO-NVXWUHKLSA-N 1 2 370.501 2.814 20 30 FFEDLO C#CCCCCCC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218454432 1033163138 /nfs/dbraw/zinc/16/31/38/1033163138.db2.gz FZICRFCBWFKLEE-FCHUYYIVSA-N 1 2 364.489 2.533 20 30 FFEDLO C#CCCCCCC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218454432 1033163140 /nfs/dbraw/zinc/16/31/40/1033163140.db2.gz FZICRFCBWFKLEE-FCHUYYIVSA-N 1 2 364.489 2.533 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001121620927 1023885786 /nfs/dbraw/zinc/88/57/86/1023885786.db2.gz WKMGUPZTDYHGGG-UTKZUKDTSA-N 1 2 360.465 2.566 20 30 FFEDLO C=CCn1c(N2Cc3cccc(Cl)c3C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121710020 1023939385 /nfs/dbraw/zinc/93/93/85/1023939385.db2.gz YBVRZOUDFIZEGI-AUUYWEPGSA-N 1 2 373.888 2.549 20 30 FFEDLO C=CCn1c(N2Cc3cccc(Cl)c3C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121710020 1023939391 /nfs/dbraw/zinc/93/93/91/1023939391.db2.gz YBVRZOUDFIZEGI-AUUYWEPGSA-N 1 2 373.888 2.549 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)o3)C[C@@]2(C)C1 ZINC001101248885 1024184266 /nfs/dbraw/zinc/18/42/66/1024184266.db2.gz XXHJSQOJRDQQRA-UTKZUKDTSA-N 1 2 370.497 2.996 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)o3)C[C@@]2(C)C1 ZINC001101248885 1024184274 /nfs/dbraw/zinc/18/42/74/1024184274.db2.gz XXHJSQOJRDQQRA-UTKZUKDTSA-N 1 2 370.497 2.996 20 30 FFEDLO C[NH+](C)Cc1nc(CNC(=O)C2(c3ccc(C#N)cc3)CCCC2)co1 ZINC001123970792 1024188791 /nfs/dbraw/zinc/18/87/91/1024188791.db2.gz XWMULHCSPXTDTD-UHFFFAOYSA-N 1 2 352.438 2.736 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CCC)c1nc(C)[nH+]c(C)c1C ZINC001101253629 1024207141 /nfs/dbraw/zinc/20/71/41/1024207141.db2.gz KFEDPVVQWJBLKD-ROUUACIJSA-N 1 2 360.502 2.716 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C)s3)C[C@@]2(C)C1 ZINC001101325438 1024454696 /nfs/dbraw/zinc/45/46/96/1024454696.db2.gz SCCXDNCXCOMECZ-APWZRJJASA-N 1 2 360.527 2.711 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C)s3)C[C@@]2(C)C1 ZINC001101325438 1024454701 /nfs/dbraw/zinc/45/47/01/1024454701.db2.gz SCCXDNCXCOMECZ-APWZRJJASA-N 1 2 360.527 2.711 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(CC)s3)C[C@@]2(C)C1 ZINC001101335637 1024482740 /nfs/dbraw/zinc/48/27/40/1024482740.db2.gz RPLNOLFEXYKSNV-BEFAXECRSA-N 1 2 360.527 2.574 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(CC)s3)C[C@@]2(C)C1 ZINC001101335637 1024482747 /nfs/dbraw/zinc/48/27/47/1024482747.db2.gz RPLNOLFEXYKSNV-BEFAXECRSA-N 1 2 360.527 2.574 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(Br)cnc2C)C1=O ZINC001276852419 1033215503 /nfs/dbraw/zinc/21/55/03/1033215503.db2.gz QXXPCAVIFUHOQY-KRWDZBQOSA-N 1 2 364.287 2.905 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Br)cnc2C)C1=O ZINC001276852419 1033215510 /nfs/dbraw/zinc/21/55/10/1033215510.db2.gz QXXPCAVIFUHOQY-KRWDZBQOSA-N 1 2 364.287 2.905 20 30 FFEDLO Cc1ccc(N2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)cc1C ZINC000759334984 1024566482 /nfs/dbraw/zinc/56/64/82/1024566482.db2.gz IHRJOAZSDXYJJT-UHFFFAOYSA-N 1 2 362.477 2.614 20 30 FFEDLO CCCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)[nH]n1 ZINC001095846791 1024827342 /nfs/dbraw/zinc/82/73/42/1024827342.db2.gz LZDGRQUOYAIWQN-HBFSDRIKSA-N 1 2 363.465 2.769 20 30 FFEDLO CCCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)[nH]n1 ZINC001095846791 1024827360 /nfs/dbraw/zinc/82/73/60/1024827360.db2.gz LZDGRQUOYAIWQN-HBFSDRIKSA-N 1 2 363.465 2.769 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001101987799 1025249297 /nfs/dbraw/zinc/24/92/97/1025249297.db2.gz GQYLYBIZRRRDON-BREBYQMCSA-N 1 2 363.380 2.704 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001101987799 1025249304 /nfs/dbraw/zinc/24/93/04/1025249304.db2.gz GQYLYBIZRRRDON-BREBYQMCSA-N 1 2 363.380 2.704 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001101987799 1025249316 /nfs/dbraw/zinc/24/93/16/1025249316.db2.gz GQYLYBIZRRRDON-BREBYQMCSA-N 1 2 363.380 2.704 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001101987799 1025249327 /nfs/dbraw/zinc/24/93/27/1025249327.db2.gz GQYLYBIZRRRDON-BREBYQMCSA-N 1 2 363.380 2.704 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1C ZINC001102004916 1025283646 /nfs/dbraw/zinc/28/36/46/1025283646.db2.gz KNZWRUKQLJGWTA-HUUCEWRRSA-N 1 2 361.534 2.889 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1C ZINC001102004916 1025283654 /nfs/dbraw/zinc/28/36/54/1025283654.db2.gz KNZWRUKQLJGWTA-HUUCEWRRSA-N 1 2 361.534 2.889 20 30 FFEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C#Cc2ccccc2)c2ccc(Cl)cc2)C1 ZINC000245706362 1025501035 /nfs/dbraw/zinc/50/10/35/1025501035.db2.gz DJZGSRWKKZYJDP-FPOVZHCZSA-N 1 2 368.864 2.880 20 30 FFEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)C#Cc2ccccc2)c2ccc(Cl)cc2)C1 ZINC000245706362 1025501045 /nfs/dbraw/zinc/50/10/45/1025501045.db2.gz DJZGSRWKKZYJDP-FPOVZHCZSA-N 1 2 368.864 2.880 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)C[C@H]2C)CCC1 ZINC001102331592 1025761767 /nfs/dbraw/zinc/76/17/67/1025761767.db2.gz IZVCNCFVKPLMES-GDBMZVCRSA-N 1 2 357.502 2.613 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)C[C@H]2C)CCC1 ZINC001102331592 1025761785 /nfs/dbraw/zinc/76/17/85/1025761785.db2.gz IZVCNCFVKPLMES-GDBMZVCRSA-N 1 2 357.502 2.613 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000838876451 1026522819 /nfs/dbraw/zinc/52/28/19/1026522819.db2.gz FYZFJNCCPLYQHB-OAHLLOKOSA-N 1 2 365.393 2.712 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000838876451 1026522821 /nfs/dbraw/zinc/52/28/21/1026522821.db2.gz FYZFJNCCPLYQHB-OAHLLOKOSA-N 1 2 365.393 2.712 20 30 FFEDLO N#Cc1cnc(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c(F)c1 ZINC001158586096 1027069418 /nfs/dbraw/zinc/06/94/18/1027069418.db2.gz OVNRTKBRVCHKHZ-AEFFLSMTSA-N 1 2 368.412 2.963 20 30 FFEDLO Cc1cnc(N2CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)c(C#N)n1 ZINC001158814465 1027144500 /nfs/dbraw/zinc/14/45/00/1027144500.db2.gz BTAUQOXOHCVDMK-UHFFFAOYSA-N 1 2 367.428 2.581 20 30 FFEDLO CSc1nc(C[N@@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)ccc1C#N ZINC001141932372 1027173198 /nfs/dbraw/zinc/17/31/98/1027173198.db2.gz ZPYLOFWPLVYYEF-TZMCWYRMSA-N 1 2 363.380 2.902 20 30 FFEDLO CSc1nc(C[N@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)ccc1C#N ZINC001141932372 1027173207 /nfs/dbraw/zinc/17/32/07/1027173207.db2.gz ZPYLOFWPLVYYEF-TZMCWYRMSA-N 1 2 363.380 2.902 20 30 FFEDLO N#CC1(c2ccccc2F)CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001158888342 1027176588 /nfs/dbraw/zinc/17/65/88/1027176588.db2.gz WEQSQWZFHQHVIU-UHFFFAOYSA-N 1 2 367.428 2.514 20 30 FFEDLO N#CC1(c2ccccc2F)CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001158888342 1027176592 /nfs/dbraw/zinc/17/65/92/1027176592.db2.gz WEQSQWZFHQHVIU-UHFFFAOYSA-N 1 2 367.428 2.514 20 30 FFEDLO CSc1nc(C[N@@H+]2CC[C@H]3O[C@@H](c4nc(C)no4)CC[C@H]32)ccc1C#N ZINC001141934551 1027183696 /nfs/dbraw/zinc/18/36/96/1027183696.db2.gz PDGTYQVMRRSQQH-BZUAXINKSA-N 1 2 371.466 2.861 20 30 FFEDLO CSc1nc(C[N@H+]2CC[C@H]3O[C@@H](c4nc(C)no4)CC[C@H]32)ccc1C#N ZINC001141934551 1027183703 /nfs/dbraw/zinc/18/37/03/1027183703.db2.gz PDGTYQVMRRSQQH-BZUAXINKSA-N 1 2 371.466 2.861 20 30 FFEDLO C=C1CCC(C(=O)NCC[C@@H]2C[N@H+](Cc3noc(CC)n3)C[C@H]2C)CC1 ZINC001103402858 1027408115 /nfs/dbraw/zinc/40/81/15/1027408115.db2.gz ORQSWHPWSUTOME-NVXWUHKLSA-N 1 2 360.502 2.953 20 30 FFEDLO C=C1CCC(C(=O)NCC[C@@H]2C[N@@H+](Cc3noc(CC)n3)C[C@H]2C)CC1 ZINC001103402858 1027408130 /nfs/dbraw/zinc/40/81/30/1027408130.db2.gz ORQSWHPWSUTOME-NVXWUHKLSA-N 1 2 360.502 2.953 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1=CC[N@H+](Cc2cc(C)on2)CC1 ZINC001161445402 1028176916 /nfs/dbraw/zinc/17/69/16/1028176916.db2.gz RBJHEXUBZHMTOX-OALUTQOASA-N 1 2 359.470 2.603 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1=CC[N@@H+](Cc2cc(C)on2)CC1 ZINC001161445402 1028176927 /nfs/dbraw/zinc/17/69/27/1028176927.db2.gz RBJHEXUBZHMTOX-OALUTQOASA-N 1 2 359.470 2.603 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1=CC[N@H+]([C@@H](C)c2ncccn2)CC1 ZINC001161472180 1028194021 /nfs/dbraw/zinc/19/40/21/1028194021.db2.gz PEQZTJSYSYHBRT-WDSOQIARSA-N 1 2 370.497 2.657 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2ncccn2)CC1 ZINC001161472180 1028194030 /nfs/dbraw/zinc/19/40/30/1028194030.db2.gz PEQZTJSYSYHBRT-WDSOQIARSA-N 1 2 370.497 2.657 20 30 FFEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H](O)c2ccc(C#N)cc2)c(C)c1 ZINC000780994197 1028920893 /nfs/dbraw/zinc/92/08/93/1028920893.db2.gz SAADHOHGCPCFHG-SFTDATJTSA-N 1 2 374.444 2.963 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)OCC)C1 ZINC001111636009 1028996447 /nfs/dbraw/zinc/99/64/47/1028996447.db2.gz ZPTIGVXFIJEYLO-DZKIICNBSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)OCC)C1 ZINC001111636009 1028996460 /nfs/dbraw/zinc/99/64/60/1028996460.db2.gz ZPTIGVXFIJEYLO-DZKIICNBSA-N 1 2 359.308 2.681 20 30 FFEDLO Cc1ccccc1-c1cnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)o1 ZINC001206660139 1029069009 /nfs/dbraw/zinc/06/90/09/1029069009.db2.gz YBSZMGGPHSBHEK-BFYDXBDKSA-N 1 2 352.438 2.746 20 30 FFEDLO Cc1ccccc1-c1cnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)o1 ZINC001206660139 1029069024 /nfs/dbraw/zinc/06/90/24/1029069024.db2.gz YBSZMGGPHSBHEK-BFYDXBDKSA-N 1 2 352.438 2.746 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(C3CC3)no1)C2 ZINC001111711242 1029209887 /nfs/dbraw/zinc/20/98/87/1029209887.db2.gz JNKOJXNXVGUDER-JXFKEZNVSA-N 1 2 356.470 2.611 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(C3CC3)no1)C2 ZINC001111711242 1029209897 /nfs/dbraw/zinc/20/98/97/1029209897.db2.gz JNKOJXNXVGUDER-JXFKEZNVSA-N 1 2 356.470 2.611 20 30 FFEDLO CC(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1nc(C(C)C)no1)C2 ZINC001111738751 1029297308 /nfs/dbraw/zinc/29/73/08/1029297308.db2.gz ITXRUFUMYMELIA-FTRWYGJKSA-N 1 2 358.486 2.884 20 30 FFEDLO CC(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1nc(C(C)C)no1)C2 ZINC001111738751 1029297323 /nfs/dbraw/zinc/29/73/23/1029297323.db2.gz ITXRUFUMYMELIA-FTRWYGJKSA-N 1 2 358.486 2.884 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cscn1)C2)OCC ZINC001111766742 1029387645 /nfs/dbraw/zinc/38/76/45/1029387645.db2.gz AOOXKZBXJHOGBB-IEZWGBDMSA-N 1 2 363.527 2.985 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cscn1)C2)OCC ZINC001111766742 1029387654 /nfs/dbraw/zinc/38/76/54/1029387654.db2.gz AOOXKZBXJHOGBB-IEZWGBDMSA-N 1 2 363.527 2.985 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(CC3CC3)nn1)C2 ZINC001111851782 1029618128 /nfs/dbraw/zinc/61/81/28/1029618128.db2.gz OCAJPBJZCXAKMY-MMOPVJDHSA-N 1 2 371.529 2.761 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(CC3CC3)nn1)C2 ZINC001111851782 1029618137 /nfs/dbraw/zinc/61/81/37/1029618137.db2.gz OCAJPBJZCXAKMY-MMOPVJDHSA-N 1 2 371.529 2.761 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1coc(C3CC3)n1)C2 ZINC001112019078 1029868380 /nfs/dbraw/zinc/86/83/80/1029868380.db2.gz YLAPXFVZQUMXHK-IIMJZQEZSA-N 1 2 359.470 2.614 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC001112019078 1029868388 /nfs/dbraw/zinc/86/83/88/1029868388.db2.gz YLAPXFVZQUMXHK-IIMJZQEZSA-N 1 2 359.470 2.614 20 30 FFEDLO CCOc1cc(C[NH+]2CCC(C#N)(C(=O)OC)CC2)ccc1OC(=O)CC ZINC000840950835 1029940839 /nfs/dbraw/zinc/94/08/39/1029940839.db2.gz OUSQBCDHAWGPNI-UHFFFAOYSA-N 1 2 374.437 2.679 20 30 FFEDLO Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C(F)(F)F)s1 ZINC001112099781 1030003176 /nfs/dbraw/zinc/00/31/76/1030003176.db2.gz KRAQTWBEFNBUKY-CHWSQXEVSA-N 1 2 359.417 2.590 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cnns2)C1 ZINC001112152000 1030106536 /nfs/dbraw/zinc/10/65/36/1030106536.db2.gz DXSSJCJQNXWBQF-RAIGVLPGSA-N 1 2 362.421 2.619 20 30 FFEDLO Cc1ccc(F)cc1CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000783555508 1030151679 /nfs/dbraw/zinc/15/16/79/1030151679.db2.gz WPPLMDPXADRASQ-UHFFFAOYSA-N 1 2 357.429 2.803 20 30 FFEDLO C=CC1(CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCCCC1 ZINC001142212275 1030162436 /nfs/dbraw/zinc/16/24/36/1030162436.db2.gz JEYSGHLXKYCAKL-LJQANCHMSA-N 1 2 352.544 2.837 20 30 FFEDLO C=C[C@@H]1C[C@]1(NC(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1)C(=O)OCC ZINC001142373779 1030369999 /nfs/dbraw/zinc/36/99/99/1030369999.db2.gz HRVGQOLYKDBZKS-JTFJPCCOSA-N 1 2 365.433 2.569 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)OCC2CN(c3cccc[nH+]3)C2)cc1 ZINC000842888492 1031023061 /nfs/dbraw/zinc/02/30/61/1031023061.db2.gz NFHBUYDHKPWYIT-LJQANCHMSA-N 1 2 362.433 2.602 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1c(C)cc(OC)cc1C ZINC001142932502 1031070001 /nfs/dbraw/zinc/07/00/01/1031070001.db2.gz FCFRATXAPFOIRM-LJQANCHMSA-N 1 2 356.470 2.743 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1c(C)cc(OC)cc1C ZINC001142932502 1031070018 /nfs/dbraw/zinc/07/00/18/1031070018.db2.gz FCFRATXAPFOIRM-LJQANCHMSA-N 1 2 356.470 2.743 20 30 FFEDLO N#Cc1ccccc1CN1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001204371284 1031261361 /nfs/dbraw/zinc/26/13/61/1031261361.db2.gz URRNXVVEALTCAT-UHFFFAOYSA-N 1 2 374.488 2.525 20 30 FFEDLO N#Cc1ccccc1CN1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001204371284 1031261380 /nfs/dbraw/zinc/26/13/80/1031261380.db2.gz URRNXVVEALTCAT-UHFFFAOYSA-N 1 2 374.488 2.525 20 30 FFEDLO N#CC1(C(=O)NCc2c[nH+]cn2Cc2cccc(Br)c2)CC1 ZINC001143188967 1031293563 /nfs/dbraw/zinc/29/35/63/1031293563.db2.gz XKXRNNXUFSREGI-UHFFFAOYSA-N 1 2 359.227 2.614 20 30 FFEDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 ZINC000798971076 1031600088 /nfs/dbraw/zinc/60/00/88/1031600088.db2.gz GDPWAVIRYYQTGN-UHFFFAOYSA-N 1 2 373.407 2.545 20 30 FFEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 ZINC000798971076 1031600096 /nfs/dbraw/zinc/60/00/96/1031600096.db2.gz GDPWAVIRYYQTGN-UHFFFAOYSA-N 1 2 373.407 2.545 20 30 FFEDLO N#Cc1cc(C[N@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)ccc1F ZINC001205467072 1031767121 /nfs/dbraw/zinc/76/71/21/1031767121.db2.gz HTVJKFYAFCNLBN-QGZVFWFLSA-N 1 2 354.429 2.952 20 30 FFEDLO N#Cc1cc(C[N@@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)ccc1F ZINC001205467072 1031767133 /nfs/dbraw/zinc/76/71/33/1031767133.db2.gz HTVJKFYAFCNLBN-QGZVFWFLSA-N 1 2 354.429 2.952 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C(C)(C)C)cc2)C[C@H]1C ZINC001206640859 1031933226 /nfs/dbraw/zinc/93/32/26/1031933226.db2.gz LMJIVLICGSIZGC-IIDMSEBBSA-N 1 2 370.497 2.519 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C(C)(C)C)cc2)C[C@H]1C ZINC001206640859 1031933239 /nfs/dbraw/zinc/93/32/39/1031933239.db2.gz LMJIVLICGSIZGC-IIDMSEBBSA-N 1 2 370.497 2.519 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001223344779 1033405223 /nfs/dbraw/zinc/40/52/23/1033405223.db2.gz NDFPSKSEIKYZQO-WDYCEAGBSA-N 1 2 359.518 2.632 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001223344779 1033405229 /nfs/dbraw/zinc/40/52/29/1033405229.db2.gz NDFPSKSEIKYZQO-WDYCEAGBSA-N 1 2 359.518 2.632 20 30 FFEDLO C=CCCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nccc(C)n4)[C@H]3C2)CC1 ZINC001223452004 1033451157 /nfs/dbraw/zinc/45/11/57/1033451157.db2.gz PNVRGANDTAJHKJ-MSOLQXFVSA-N 1 2 354.498 2.954 20 30 FFEDLO C=CCCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nccc(C)n4)[C@H]3C2)CC1 ZINC001223452004 1033451165 /nfs/dbraw/zinc/45/11/65/1033451165.db2.gz PNVRGANDTAJHKJ-MSOLQXFVSA-N 1 2 354.498 2.954 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CCc2cc(Cl)ccc2Cl)C[C@@H]1O ZINC001219344304 1033609703 /nfs/dbraw/zinc/60/97/03/1033609703.db2.gz FVANOXLNLNXOTC-CVEARBPZSA-N 1 2 357.281 2.663 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CCc2cc(Cl)ccc2Cl)C[C@@H]1O ZINC001219344304 1033609709 /nfs/dbraw/zinc/60/97/09/1033609709.db2.gz FVANOXLNLNXOTC-CVEARBPZSA-N 1 2 357.281 2.663 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001219703079 1033772203 /nfs/dbraw/zinc/77/22/03/1033772203.db2.gz TVSZOVLYMWFPLH-CABCVRRESA-N 1 2 357.281 2.780 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001219703079 1033772218 /nfs/dbraw/zinc/77/22/18/1033772218.db2.gz TVSZOVLYMWFPLH-CABCVRRESA-N 1 2 357.281 2.780 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001220133563 1033997876 /nfs/dbraw/zinc/99/78/76/1033997876.db2.gz FKSOVVRMJRDOBU-CVEARBPZSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001220133563 1033997880 /nfs/dbraw/zinc/99/78/80/1033997880.db2.gz FKSOVVRMJRDOBU-CVEARBPZSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(Cl)c2)C[C@@H]1O ZINC001220133935 1033999615 /nfs/dbraw/zinc/99/96/15/1033999615.db2.gz SLEYGZZMCMQOAA-CVEARBPZSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(Cl)c2)C[C@@H]1O ZINC001220133935 1033999627 /nfs/dbraw/zinc/99/96/27/1033999627.db2.gz SLEYGZZMCMQOAA-CVEARBPZSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001220293603 1034103866 /nfs/dbraw/zinc/10/38/66/1034103866.db2.gz NJLZLZXRWQJNFU-SOLBZPMBSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001220293603 1034103871 /nfs/dbraw/zinc/10/38/71/1034103871.db2.gz NJLZLZXRWQJNFU-SOLBZPMBSA-N 1 2 370.415 2.969 20 30 FFEDLO CC(C)CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220403734 1034151462 /nfs/dbraw/zinc/15/14/62/1034151462.db2.gz CYZANBYHUCDLDA-MOPGFXCFSA-N 1 2 362.901 2.679 20 30 FFEDLO CC(C)CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220403734 1034151471 /nfs/dbraw/zinc/15/14/71/1034151471.db2.gz CYZANBYHUCDLDA-MOPGFXCFSA-N 1 2 362.901 2.679 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1OC ZINC001138343995 1034175083 /nfs/dbraw/zinc/17/50/83/1034175083.db2.gz UQWYDOLKAAGTIE-IRXDYDNUSA-N 1 2 372.465 2.901 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1OC ZINC001138343995 1034175087 /nfs/dbraw/zinc/17/50/87/1034175087.db2.gz UQWYDOLKAAGTIE-IRXDYDNUSA-N 1 2 372.465 2.901 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(F)(F)C(F)F ZINC001225246559 1034178629 /nfs/dbraw/zinc/17/86/29/1034178629.db2.gz CRKIVYJWBLCFFQ-YNEHKIRRSA-N 1 2 354.388 2.885 20 30 FFEDLO C=CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC001225284603 1034191897 /nfs/dbraw/zinc/19/18/97/1034191897.db2.gz ZEHIYDDONQAAQA-QZTJIDSGSA-N 1 2 353.470 2.751 20 30 FFEDLO CC(=O)[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C#N)cc1Cl)CC2 ZINC001277030947 1034194137 /nfs/dbraw/zinc/19/41/37/1034194137.db2.gz OGKBFJVJUAZCRZ-GUYCJALGSA-N 1 2 373.884 2.907 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1nc3ccccc3n1C)CC2 ZINC001138377691 1034211408 /nfs/dbraw/zinc/21/14/08/1034211408.db2.gz ODVBCHPOLIUXHW-UHFFFAOYSA-N 1 2 351.454 2.568 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1nc3ccccc3n1C)CC2 ZINC001138377691 1034211419 /nfs/dbraw/zinc/21/14/19/1034211419.db2.gz ODVBCHPOLIUXHW-UHFFFAOYSA-N 1 2 351.454 2.568 20 30 FFEDLO CCCCC[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220497949 1034223500 /nfs/dbraw/zinc/22/35/00/1034223500.db2.gz OHXRHNWELZMFRC-TYPHKJRUSA-N 1 2 356.510 2.806 20 30 FFEDLO CCCCC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220497949 1034223513 /nfs/dbraw/zinc/22/35/13/1034223513.db2.gz OHXRHNWELZMFRC-TYPHKJRUSA-N 1 2 356.510 2.806 20 30 FFEDLO CC(C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001220579909 1034266382 /nfs/dbraw/zinc/26/63/82/1034266382.db2.gz QMACGHSUUZOUKQ-MOPGFXCFSA-N 1 2 361.461 2.575 20 30 FFEDLO CC(C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001220579909 1034266396 /nfs/dbraw/zinc/26/63/96/1034266396.db2.gz QMACGHSUUZOUKQ-MOPGFXCFSA-N 1 2 361.461 2.575 20 30 FFEDLO Cc1cc(=O)c(C#N)c(O[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)[nH]1 ZINC001225470648 1034266673 /nfs/dbraw/zinc/26/66/73/1034266673.db2.gz XWIVSLVGUMUDRB-HNAYVOBHSA-N 1 2 353.422 2.636 20 30 FFEDLO Cc1cc(=O)c(C#N)c(O[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[nH]1 ZINC001225470648 1034266688 /nfs/dbraw/zinc/26/66/88/1034266688.db2.gz XWIVSLVGUMUDRB-HNAYVOBHSA-N 1 2 353.422 2.636 20 30 FFEDLO CC[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O)C(C)(C)C ZINC001220749594 1034373892 /nfs/dbraw/zinc/37/38/92/1034373892.db2.gz ULYWTDNMMIBYBJ-QRVBRYPASA-N 1 2 357.498 2.682 20 30 FFEDLO CC[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O)C(C)(C)C ZINC001220749594 1034373897 /nfs/dbraw/zinc/37/38/97/1034373897.db2.gz ULYWTDNMMIBYBJ-QRVBRYPASA-N 1 2 357.498 2.682 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2COC)cc1 ZINC001138556289 1034408664 /nfs/dbraw/zinc/40/86/64/1034408664.db2.gz NPPZMQWFAFLAMD-GOSISDBHSA-N 1 2 374.481 2.766 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2COC)cc1 ZINC001138556289 1034408673 /nfs/dbraw/zinc/40/86/73/1034408673.db2.gz NPPZMQWFAFLAMD-GOSISDBHSA-N 1 2 374.481 2.766 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)CCCC2CCCCC2)[C@@H](O)C1 ZINC001220908546 1034452730 /nfs/dbraw/zinc/45/27/30/1034452730.db2.gz KCOOFEUNBAIYFN-RTWAWAEBSA-N 1 2 369.509 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)CCCC2CCCCC2)[C@@H](O)C1 ZINC001220908546 1034452737 /nfs/dbraw/zinc/45/27/37/1034452737.db2.gz KCOOFEUNBAIYFN-RTWAWAEBSA-N 1 2 369.509 2.970 20 30 FFEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cccc(Oc3ncccn3)c2)CC1 ZINC001138624123 1034475579 /nfs/dbraw/zinc/47/55/79/1034475579.db2.gz VFABTNBOVVVECP-UHFFFAOYSA-N 1 2 366.421 2.938 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C2CCC2)n1 ZINC001226143939 1034543918 /nfs/dbraw/zinc/54/39/18/1034543918.db2.gz VJDSRILVAHSMTO-HZPDHXFCSA-N 1 2 358.486 2.904 20 30 FFEDLO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 ZINC001221294469 1034655699 /nfs/dbraw/zinc/65/56/99/1034655699.db2.gz RYVVTQBZGMGLMG-OGHNNQOOSA-N 1 2 365.449 2.815 20 30 FFEDLO C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 ZINC001221294469 1034655705 /nfs/dbraw/zinc/65/57/05/1034655705.db2.gz RYVVTQBZGMGLMG-OGHNNQOOSA-N 1 2 365.449 2.815 20 30 FFEDLO CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001221304640 1034663107 /nfs/dbraw/zinc/66/31/07/1034663107.db2.gz GDFRYJOVVBHQOY-KVSKMBFKSA-N 1 2 360.885 2.649 20 30 FFEDLO CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001221304640 1034663115 /nfs/dbraw/zinc/66/31/15/1034663115.db2.gz GDFRYJOVVBHQOY-KVSKMBFKSA-N 1 2 360.885 2.649 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)c4ccccc4n3)C[C@H]21 ZINC001221514352 1034831900 /nfs/dbraw/zinc/83/19/00/1034831900.db2.gz SXFRWLAVPFMZPY-YLJYHZDGSA-N 1 2 362.477 2.774 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)c4ccccc4n3)C[C@H]21 ZINC001221514352 1034831914 /nfs/dbraw/zinc/83/19/14/1034831914.db2.gz SXFRWLAVPFMZPY-YLJYHZDGSA-N 1 2 362.477 2.774 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[N@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC001221517784 1034836507 /nfs/dbraw/zinc/83/65/07/1034836507.db2.gz JWFYRKQYEMYWHY-XVSDVWIESA-N 1 2 366.864 2.839 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC001221517784 1034836512 /nfs/dbraw/zinc/83/65/12/1034836512.db2.gz JWFYRKQYEMYWHY-XVSDVWIESA-N 1 2 366.864 2.839 20 30 FFEDLO CCO[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21)C1CC1 ZINC001221559122 1034873540 /nfs/dbraw/zinc/87/35/40/1034873540.db2.gz UOZVBYFHRQHTQP-RLLQIKCJSA-N 1 2 371.456 2.545 20 30 FFEDLO CCO[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21)C1CC1 ZINC001221559122 1034873546 /nfs/dbraw/zinc/87/35/46/1034873546.db2.gz UOZVBYFHRQHTQP-RLLQIKCJSA-N 1 2 371.456 2.545 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)CCC(C)C)C[C@H]21 ZINC001221584721 1034897358 /nfs/dbraw/zinc/89/73/58/1034897358.db2.gz AGUACTJRYGVYMM-IPMKNSEASA-N 1 2 363.546 2.816 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@@H](C)CCC(C)C)C[C@H]21 ZINC001221584721 1034897367 /nfs/dbraw/zinc/89/73/67/1034897367.db2.gz AGUACTJRYGVYMM-IPMKNSEASA-N 1 2 363.546 2.816 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N1C[C@H]2CC[N@H+](Cc3ncc(C)s3)C[C@H]21 ZINC001221718411 1035007867 /nfs/dbraw/zinc/00/78/67/1035007867.db2.gz NSLPQGSOKBUEMQ-MDZRGWNJSA-N 1 2 363.527 2.713 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ncc(C)s3)C[C@H]21 ZINC001221718411 1035007874 /nfs/dbraw/zinc/00/78/74/1035007874.db2.gz NSLPQGSOKBUEMQ-MDZRGWNJSA-N 1 2 363.527 2.713 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3CC[N@H+](CC(=O)Nc4ccccc4)C[C@H]32)CC1 ZINC001221793808 1035074605 /nfs/dbraw/zinc/07/46/05/1035074605.db2.gz MLEAYUOKXBZFAB-IEBWSBKVSA-N 1 2 367.493 2.904 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)Nc4ccccc4)C[C@H]32)CC1 ZINC001221793808 1035074616 /nfs/dbraw/zinc/07/46/16/1035074616.db2.gz MLEAYUOKXBZFAB-IEBWSBKVSA-N 1 2 367.493 2.904 20 30 FFEDLO COc1nccc(I)c1C[NH+]1CCC(S)CC1 ZINC001139582681 1035171140 /nfs/dbraw/zinc/17/11/40/1035171140.db2.gz DUEXLXIFBUXZDN-UHFFFAOYSA-N 1 2 364.252 2.589 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1c(C)nc2cc(C)ccn21 ZINC001139678547 1035195440 /nfs/dbraw/zinc/19/54/40/1035195440.db2.gz AATLUXYBNMZPCW-LJQANCHMSA-N 1 2 365.481 2.987 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1c(C)nc2cc(C)ccn21 ZINC001139678547 1035195446 /nfs/dbraw/zinc/19/54/46/1035195446.db2.gz AATLUXYBNMZPCW-LJQANCHMSA-N 1 2 365.481 2.987 20 30 FFEDLO N#Cc1cccc2c(C[N@H+]3Cc4nccn4C[C@@H](Cn4cccn4)C3)c[nH]c21 ZINC001139705021 1035201808 /nfs/dbraw/zinc/20/18/08/1035201808.db2.gz JRLYMSJKWQZJRH-INIZCTEOSA-N 1 2 371.448 2.765 20 30 FFEDLO N#Cc1cccc2c(C[N@@H+]3Cc4nccn4C[C@@H](Cn4cccn4)C3)c[nH]c21 ZINC001139705021 1035201812 /nfs/dbraw/zinc/20/18/12/1035201812.db2.gz JRLYMSJKWQZJRH-INIZCTEOSA-N 1 2 371.448 2.765 20 30 FFEDLO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@H+](Cc3c[nH]c4c3cccc4C#N)[C@@H]2C1 ZINC001139705759 1035202558 /nfs/dbraw/zinc/20/25/58/1035202558.db2.gz ZLHBHAOSTGIPGU-KFKAGJAMSA-N 1 2 366.465 2.544 20 30 FFEDLO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@@H+](Cc3c[nH]c4c3cccc4C#N)[C@@H]2C1 ZINC001139705759 1035202560 /nfs/dbraw/zinc/20/25/60/1035202560.db2.gz ZLHBHAOSTGIPGU-KFKAGJAMSA-N 1 2 366.465 2.544 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)cc1C#N ZINC001139726076 1035210100 /nfs/dbraw/zinc/21/01/00/1035210100.db2.gz QEUIHZXDKNKODQ-SFHVURJKSA-N 1 2 359.470 2.670 20 30 FFEDLO Cc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)cc1C#N ZINC001139726076 1035210106 /nfs/dbraw/zinc/21/01/06/1035210106.db2.gz QEUIHZXDKNKODQ-SFHVURJKSA-N 1 2 359.470 2.670 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](Cc2ccnc(F)c2)Cc2nnn(CC3CC3)c21 ZINC001139832054 1035246814 /nfs/dbraw/zinc/24/68/14/1035246814.db2.gz NDNPCYLFDYZKGB-MRXNPFEDSA-N 1 2 357.433 2.524 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](Cc2ccnc(F)c2)Cc2nnn(CC3CC3)c21 ZINC001139832054 1035246816 /nfs/dbraw/zinc/24/68/16/1035246816.db2.gz NDNPCYLFDYZKGB-MRXNPFEDSA-N 1 2 357.433 2.524 20 30 FFEDLO Cc1c[nH+]c2cc(C(=O)Nc3ccccc3-n3ncc(C#N)c3N)ccn12 ZINC001140318356 1035432669 /nfs/dbraw/zinc/43/26/69/1035432669.db2.gz XJOAIJXKBUZESF-UHFFFAOYSA-N 1 2 357.377 2.535 20 30 FFEDLO CO[C@H](C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)Cc1ccccc1 ZINC000834856091 1035464745 /nfs/dbraw/zinc/46/47/45/1035464745.db2.gz KQQWNUCKSMAOAA-OKZBNKHCSA-N 1 2 359.470 2.593 20 30 FFEDLO N#Cc1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001227290925 1035496767 /nfs/dbraw/zinc/49/67/67/1035496767.db2.gz FVFPWWAYSNCJNZ-KRWDZBQOSA-N 1 2 353.378 2.746 20 30 FFEDLO N#Cc1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001227290925 1035496770 /nfs/dbraw/zinc/49/67/70/1035496770.db2.gz FVFPWWAYSNCJNZ-KRWDZBQOSA-N 1 2 353.378 2.746 20 30 FFEDLO C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3cccc(Cl)c3O)C2)C1=O ZINC001277232520 1035682396 /nfs/dbraw/zinc/68/23/96/1035682396.db2.gz SKKICFHWOJNZMG-LJQANCHMSA-N 1 2 362.857 2.963 20 30 FFEDLO C=C(C)CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cccc(Cl)c3O)C2)C1=O ZINC001277232520 1035682407 /nfs/dbraw/zinc/68/24/07/1035682407.db2.gz SKKICFHWOJNZMG-LJQANCHMSA-N 1 2 362.857 2.963 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@@H+](Cc1cc(C#N)ccc1Cl)CC2 ZINC001140602228 1035706848 /nfs/dbraw/zinc/70/68/48/1035706848.db2.gz HVGXIDUMQSVEAT-UHFFFAOYSA-N 1 2 358.829 2.643 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@H+](Cc1cc(C#N)ccc1Cl)CC2 ZINC001140602228 1035706869 /nfs/dbraw/zinc/70/68/69/1035706869.db2.gz HVGXIDUMQSVEAT-UHFFFAOYSA-N 1 2 358.829 2.643 20 30 FFEDLO COc1cc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)ccc1-n1cnc(C)c1 ZINC001232561612 1035813680 /nfs/dbraw/zinc/81/36/80/1035813680.db2.gz CYRGMAQJCABRRI-SFHVURJKSA-N 1 2 355.463 2.963 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)c1 ZINC001232676686 1035932248 /nfs/dbraw/zinc/93/22/48/1035932248.db2.gz BFQHTGKCXCZTBY-ILZDJORESA-N 1 2 365.433 2.717 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)c1 ZINC001232676686 1035932259 /nfs/dbraw/zinc/93/22/59/1035932259.db2.gz BFQHTGKCXCZTBY-ILZDJORESA-N 1 2 365.433 2.717 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CC2)C(=O)Nc2c3cccc2F)c1 ZINC001232676560 1035933788 /nfs/dbraw/zinc/93/37/88/1035933788.db2.gz MBLSCGSQQKTFSM-UHFFFAOYSA-N 1 2 351.381 2.889 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)c1 ZINC001232678208 1035935950 /nfs/dbraw/zinc/93/59/50/1035935950.db2.gz YTRABPIUADINBC-CEWLAPEOSA-N 1 2 365.433 2.607 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)c1 ZINC001232678208 1035935957 /nfs/dbraw/zinc/93/59/57/1035935957.db2.gz YTRABPIUADINBC-CEWLAPEOSA-N 1 2 365.433 2.607 20 30 FFEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1cc(F)ccc1C#N ZINC001232891253 1036134915 /nfs/dbraw/zinc/13/49/15/1036134915.db2.gz IBNHUVUSPQZBFC-LJQANCHMSA-N 1 2 369.444 2.710 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@@H+](C[C@@H](O)CCCCCCCC)C[C@@]2(F)C1=O ZINC001277735296 1036159059 /nfs/dbraw/zinc/15/90/59/1036159059.db2.gz RPHZPQDRORJKQA-YTQUADARSA-N 1 2 358.473 2.858 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@H+](C[C@@H](O)CCCCCCCC)C[C@@]2(F)C1=O ZINC001277735296 1036159064 /nfs/dbraw/zinc/15/90/64/1036159064.db2.gz RPHZPQDRORJKQA-YTQUADARSA-N 1 2 358.473 2.858 20 30 FFEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001233043288 1036287719 /nfs/dbraw/zinc/28/77/19/1036287719.db2.gz HMIDYEOXBPTSQS-AZUAARDMSA-N 1 2 352.438 2.622 20 30 FFEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001233043288 1036287740 /nfs/dbraw/zinc/28/77/40/1036287740.db2.gz HMIDYEOXBPTSQS-AZUAARDMSA-N 1 2 352.438 2.622 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001228769054 1036312447 /nfs/dbraw/zinc/31/24/47/1036312447.db2.gz RZOKPDYKLZEPED-QGZVFWFLSA-N 1 2 353.378 2.746 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001228769054 1036312465 /nfs/dbraw/zinc/31/24/65/1036312465.db2.gz RZOKPDYKLZEPED-QGZVFWFLSA-N 1 2 353.378 2.746 20 30 FFEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC001233290490 1036494586 /nfs/dbraw/zinc/49/45/86/1036494586.db2.gz FRNZEIUQTXCXKM-UHFFFAOYSA-N 1 2 352.818 2.723 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CC1 ZINC001233407214 1036603207 /nfs/dbraw/zinc/60/32/07/1036603207.db2.gz WGDLMVWCXODXRO-UHFFFAOYSA-N 1 2 360.364 2.634 20 30 FFEDLO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ccc(O)c3c2C(=O)C=CC3=O)C1 ZINC001229408460 1036658969 /nfs/dbraw/zinc/65/89/69/1036658969.db2.gz ZIQHZHXGIZQLKD-UONOGXRCSA-N 1 2 364.401 2.937 20 30 FFEDLO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ccc(O)c3c2C(=O)C=CC3=O)C1 ZINC001229408460 1036658973 /nfs/dbraw/zinc/65/89/73/1036658973.db2.gz ZIQHZHXGIZQLKD-UONOGXRCSA-N 1 2 364.401 2.937 20 30 FFEDLO Cc1oc(-c2ccco2)nc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C1 ZINC001206947432 1036965232 /nfs/dbraw/zinc/96/52/32/1036965232.db2.gz UWJNFHOYDKQLGB-GDBMZVCRSA-N 1 2 355.438 2.839 20 30 FFEDLO Cc1oc(-c2ccco2)nc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C1 ZINC001206947432 1036965248 /nfs/dbraw/zinc/96/52/48/1036965248.db2.gz UWJNFHOYDKQLGB-GDBMZVCRSA-N 1 2 355.438 2.839 20 30 FFEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C2)cc1 ZINC001206949818 1036971003 /nfs/dbraw/zinc/97/10/03/1036971003.db2.gz QYLNSAVHYMBPOM-ZIFCJYIRSA-N 1 2 369.509 2.808 20 30 FFEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C2)cc1 ZINC001206949818 1036971017 /nfs/dbraw/zinc/97/10/17/1036971017.db2.gz QYLNSAVHYMBPOM-ZIFCJYIRSA-N 1 2 369.509 2.808 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCN(CC4CCCC4)C3=O)C2)c1 ZINC001277849646 1037005103 /nfs/dbraw/zinc/00/51/03/1037005103.db2.gz DTWXYZIUWOJJQD-OAQYLSRUSA-N 1 2 353.466 2.878 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@]3(CCN(CC4CCCC4)C3=O)C2)c1 ZINC001277849646 1037005119 /nfs/dbraw/zinc/00/51/19/1037005119.db2.gz DTWXYZIUWOJJQD-OAQYLSRUSA-N 1 2 353.466 2.878 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](Cc2cncc(F)c2)Cc2nnn(CC3CC3)c21 ZINC001207020977 1037063380 /nfs/dbraw/zinc/06/33/80/1037063380.db2.gz QRBUJISHHJNFBZ-MRXNPFEDSA-N 1 2 357.433 2.524 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](Cc2cncc(F)c2)Cc2nnn(CC3CC3)c21 ZINC001207020977 1037063396 /nfs/dbraw/zinc/06/33/96/1037063396.db2.gz QRBUJISHHJNFBZ-MRXNPFEDSA-N 1 2 357.433 2.524 20 30 FFEDLO Cc1ccc(N2CCC[C@H](Oc3[nH]c(=O)nc4cccc(C#N)c43)C2)[nH+]c1 ZINC001234514680 1037066316 /nfs/dbraw/zinc/06/63/16/1037066316.db2.gz YVFPDTOCLBXOAS-HNNXBMFYSA-N 1 2 361.405 2.958 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncnc4sc(CC(F)(F)F)cc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001231375609 1037553587 /nfs/dbraw/zinc/55/35/87/1037553587.db2.gz BIFJFUYVWKEJJZ-ROHLRWBXSA-N 1 2 371.384 2.787 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncnc4sc(CC(F)(F)F)cc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001231375609 1037553600 /nfs/dbraw/zinc/55/36/00/1037553600.db2.gz BIFJFUYVWKEJJZ-ROHLRWBXSA-N 1 2 371.384 2.787 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)CCc1ccon1 ZINC001207999417 1037928052 /nfs/dbraw/zinc/92/80/52/1037928052.db2.gz GUHSPGDAVSQFNO-DNVCBOLYSA-N 1 2 371.868 2.749 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)CCc1ccon1 ZINC001207999417 1037928064 /nfs/dbraw/zinc/92/80/64/1037928064.db2.gz GUHSPGDAVSQFNO-DNVCBOLYSA-N 1 2 371.868 2.749 20 30 FFEDLO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4nccnc4Cl)C3)CC2=O)c1 ZINC001236613455 1038155924 /nfs/dbraw/zinc/15/59/24/1038155924.db2.gz XFBBULJMCVDZNV-LJQANCHMSA-N 1 2 367.840 2.631 20 30 FFEDLO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4nccnc4Cl)C3)CC2=O)c1 ZINC001236613455 1038155934 /nfs/dbraw/zinc/15/59/34/1038155934.db2.gz XFBBULJMCVDZNV-LJQANCHMSA-N 1 2 367.840 2.631 20 30 FFEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(F)c(O)c1F)CC2 ZINC001277992150 1038168805 /nfs/dbraw/zinc/16/88/05/1038168805.db2.gz DOMBCJGELJQXTO-AWEZNQCLSA-N 1 2 363.408 2.692 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3c(O)ccc(Cl)c3Cl)C2)OCC1=O ZINC001277992046 1038192856 /nfs/dbraw/zinc/19/28/56/1038192856.db2.gz AQSACCXCZHPOCM-KRWDZBQOSA-N 1 2 371.264 2.688 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3c(O)ccc(Cl)c3Cl)C2)OCC1=O ZINC001277992046 1038192861 /nfs/dbraw/zinc/19/28/61/1038192861.db2.gz AQSACCXCZHPOCM-KRWDZBQOSA-N 1 2 371.264 2.688 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2c(C)cccc2C)C[C@H]1C ZINC001208309523 1038203746 /nfs/dbraw/zinc/20/37/46/1038203746.db2.gz PVLFKEZZOFWUJY-IAGOWNOFSA-N 1 2 357.498 2.891 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2c(C)cccc2C)C[C@H]1C ZINC001208309523 1038203759 /nfs/dbraw/zinc/20/37/59/1038203759.db2.gz PVLFKEZZOFWUJY-IAGOWNOFSA-N 1 2 357.498 2.891 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC001208315113 1038206153 /nfs/dbraw/zinc/20/61/53/1038206153.db2.gz KPZOZOTUDZCBOB-HZPDHXFCSA-N 1 2 370.453 2.850 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC001208315113 1038206169 /nfs/dbraw/zinc/20/61/69/1038206169.db2.gz KPZOZOTUDZCBOB-HZPDHXFCSA-N 1 2 370.453 2.850 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC001208318489 1038212256 /nfs/dbraw/zinc/21/22/56/1038212256.db2.gz YUCSULWTEZOIJE-CZUORRHYSA-N 1 2 363.889 2.927 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC001208318489 1038212266 /nfs/dbraw/zinc/21/22/66/1038212266.db2.gz YUCSULWTEZOIJE-CZUORRHYSA-N 1 2 363.889 2.927 20 30 FFEDLO CC(C)NC(=O)N[C@@]12CC[C@@]([NH2+]Cc3cc(C#N)ccc3O)(C1)CCC2 ZINC001278894655 1038231988 /nfs/dbraw/zinc/23/19/88/1038231988.db2.gz UXCFXUHBBKXMEN-UXHICEINSA-N 1 2 356.470 2.906 20 30 FFEDLO CNc1cc(CNC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)cc[nH+]1 ZINC001208433620 1038312370 /nfs/dbraw/zinc/31/23/70/1038312370.db2.gz GYZOHAILYRMWBI-UHFFFAOYSA-N 1 2 361.409 2.561 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2CC)C[C@H]1C ZINC001208461647 1038330001 /nfs/dbraw/zinc/33/00/01/1038330001.db2.gz WSGIIHBQFWLRJP-VQIMIIECSA-N 1 2 357.498 2.980 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2CC)C[C@H]1C ZINC001208461647 1038330018 /nfs/dbraw/zinc/33/00/18/1038330018.db2.gz WSGIIHBQFWLRJP-VQIMIIECSA-N 1 2 357.498 2.980 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1sccc1C(=O)OCC ZINC001278043311 1038411938 /nfs/dbraw/zinc/41/19/38/1038411938.db2.gz HCBPTYQYMVGGDG-LJQANCHMSA-N 1 2 360.479 2.515 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1sccc1C(=O)OCC ZINC001278043311 1038411943 /nfs/dbraw/zinc/41/19/43/1038411943.db2.gz HCBPTYQYMVGGDG-LJQANCHMSA-N 1 2 360.479 2.515 20 30 FFEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)c(F)cc1Cl)CC2 ZINC001276575785 1038474409 /nfs/dbraw/zinc/47/44/09/1038474409.db2.gz NJTCKUZLEKSCMH-ZDUSSCGKSA-N 1 2 352.812 2.970 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C(C)(F)F ZINC001208708513 1038494735 /nfs/dbraw/zinc/49/47/35/1038494735.db2.gz YIGVYIZSARRRGM-BFQNTYOBSA-N 1 2 353.388 2.925 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C(C)(F)F ZINC001208708513 1038494740 /nfs/dbraw/zinc/49/47/40/1038494740.db2.gz YIGVYIZSARRRGM-BFQNTYOBSA-N 1 2 353.388 2.925 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](CCc3c[nH]c4ccccc34)C[C@@]2(F)C1=O ZINC001276641463 1038899516 /nfs/dbraw/zinc/89/95/16/1038899516.db2.gz BPEOOVWJTBUNKP-VQTJNVASSA-N 1 2 359.420 2.861 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](CCc3c[nH]c4ccccc34)C[C@@]2(F)C1=O ZINC001276641463 1038899538 /nfs/dbraw/zinc/89/95/38/1038899538.db2.gz BPEOOVWJTBUNKP-VQTJNVASSA-N 1 2 359.420 2.861 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cnc(OC)c(OC)c1)CCO2 ZINC001209615424 1039059774 /nfs/dbraw/zinc/05/97/74/1039059774.db2.gz IHPPGQHSERDONE-YLJYHZDGSA-N 1 2 362.470 2.673 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cnc(OC)c(OC)c1)CCO2 ZINC001209615424 1039059791 /nfs/dbraw/zinc/05/97/91/1039059791.db2.gz IHPPGQHSERDONE-YLJYHZDGSA-N 1 2 362.470 2.673 20 30 FFEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Br)c[nH]1)CC2 ZINC001276660406 1039099152 /nfs/dbraw/zinc/09/91/52/1039099152.db2.gz HUGMBRKSQREGBI-CQSZACIVSA-N 1 2 352.276 2.682 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)CCC3(C)CC3)C2)c1 ZINC001210008102 1039328884 /nfs/dbraw/zinc/32/88/84/1039328884.db2.gz GNIHABGALUZRFG-VQIMIIECSA-N 1 2 367.493 2.623 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CCC3(C)CC3)C2)c1 ZINC001210008102 1039328903 /nfs/dbraw/zinc/32/89/03/1039328903.db2.gz GNIHABGALUZRFG-VQIMIIECSA-N 1 2 367.493 2.623 20 30 FFEDLO CC[C@@H](C)N1CCC2(CC[NH+](CC(=O)c3cccc(C#N)c3)CC2)C1=O ZINC001276677919 1039366563 /nfs/dbraw/zinc/36/65/63/1039366563.db2.gz HCFCFJOSVLTGMC-MRXNPFEDSA-N 1 2 353.466 2.854 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1Cc1cc(C(F)(F)F)c(Br)cc1F ZINC001210121486 1039393355 /nfs/dbraw/zinc/39/33/55/1039393355.db2.gz LZRYOVZELYXQLC-VIFPVBQESA-N 1 2 366.156 2.904 20 30 FFEDLO CCCCCCCC[C@@H](O)C[N@@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001252127209 1039441127 /nfs/dbraw/zinc/44/11/27/1039441127.db2.gz YREASWCDMXEJIA-AEFFLSMTSA-N 1 2 352.523 2.955 20 30 FFEDLO CCCCCCCC[C@@H](O)C[N@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001252127209 1039441134 /nfs/dbraw/zinc/44/11/34/1039441134.db2.gz YREASWCDMXEJIA-AEFFLSMTSA-N 1 2 352.523 2.955 20 30 FFEDLO C=C[C@](C)(O)CNc1ccc[nH+]c1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001252545045 1039591291 /nfs/dbraw/zinc/59/12/91/1039591291.db2.gz FKPMCGUCJQEDMN-KUHUBIRLSA-N 1 2 362.474 2.534 20 30 FFEDLO CCCCCCCOc1ccc(-c2noc([C@@H]([NH3+])Cc3nn[nH]n3)n2)cc1 ZINC001247302984 1039700031 /nfs/dbraw/zinc/70/00/31/1039700031.db2.gz YNFYKZQHNKBYOW-HNNXBMFYSA-N 1 2 371.445 2.841 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)C[C@H]1NC(=O)CC#Cc1ccccc1 ZINC001211232279 1040019722 /nfs/dbraw/zinc/01/97/22/1040019722.db2.gz JIWFODNBUBNHDD-VQIMIIECSA-N 1 2 363.461 2.930 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1NC(=O)CC#Cc1ccccc1 ZINC001211232279 1040019745 /nfs/dbraw/zinc/01/97/45/1040019745.db2.gz JIWFODNBUBNHDD-VQIMIIECSA-N 1 2 363.461 2.930 20 30 FFEDLO C=CCCCCCC[C@H](O)C[N@@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001253235654 1040060332 /nfs/dbraw/zinc/06/03/32/1040060332.db2.gz MPVQGDRZSGUMLL-IRXDYDNUSA-N 1 2 350.507 2.731 20 30 FFEDLO C=CCCCCCC[C@H](O)C[N@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001253235654 1040060349 /nfs/dbraw/zinc/06/03/49/1040060349.db2.gz MPVQGDRZSGUMLL-IRXDYDNUSA-N 1 2 350.507 2.731 20 30 FFEDLO C=CCCCCCC[C@H](O)C[N@@H+](CCC(=O)OCC)CC(=O)OCC ZINC001253239775 1040064853 /nfs/dbraw/zinc/06/48/53/1040064853.db2.gz SEQCVIXYKXCJEH-KRWDZBQOSA-N 1 2 357.491 2.692 20 30 FFEDLO C=CCCCCCC[C@H](O)C[N@H+](CCC(=O)OCC)CC(=O)OCC ZINC001253239775 1040064861 /nfs/dbraw/zinc/06/48/61/1040064861.db2.gz SEQCVIXYKXCJEH-KRWDZBQOSA-N 1 2 357.491 2.692 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1cccc2nc(C)ccc12 ZINC001248556573 1040322344 /nfs/dbraw/zinc/32/23/44/1040322344.db2.gz VPMMLAVDBAXRAB-HXUWFJFHSA-N 1 2 363.465 2.974 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1cccc2nc(C)ccc12 ZINC001248556573 1040322361 /nfs/dbraw/zinc/32/23/61/1040322361.db2.gz VPMMLAVDBAXRAB-HXUWFJFHSA-N 1 2 363.465 2.974 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)C[C@H]1OC ZINC001213258356 1040383829 /nfs/dbraw/zinc/38/38/29/1040383829.db2.gz MYDQVOSNRIZQOS-SJLPKXTDSA-N 1 2 364.461 2.752 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(F)c2)C[C@H]1OC ZINC001213258356 1040383845 /nfs/dbraw/zinc/38/38/45/1040383845.db2.gz MYDQVOSNRIZQOS-SJLPKXTDSA-N 1 2 364.461 2.752 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2OC)C[C@H]1OC ZINC001213271050 1040395784 /nfs/dbraw/zinc/39/57/84/1040395784.db2.gz FODQRVHUFBZXEP-NVXWUHKLSA-N 1 2 366.889 2.876 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2OC)C[C@H]1OC ZINC001213271050 1040395792 /nfs/dbraw/zinc/39/57/92/1040395792.db2.gz FODQRVHUFBZXEP-NVXWUHKLSA-N 1 2 366.889 2.876 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)CC(C)=C(C)C ZINC001213285289 1040410064 /nfs/dbraw/zinc/41/00/64/1040410064.db2.gz MWMJARZDKIYLNA-RTBURBONSA-N 1 2 359.445 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)CC(C)=C(C)C ZINC001213285289 1040410074 /nfs/dbraw/zinc/41/00/74/1040410074.db2.gz MWMJARZDKIYLNA-RTBURBONSA-N 1 2 359.445 2.759 20 30 FFEDLO C=C/C(C)=C/CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213287477 1040412897 /nfs/dbraw/zinc/41/28/97/1040412897.db2.gz CPFQUIXIROVQGY-QIUVRHOZSA-N 1 2 357.429 2.535 20 30 FFEDLO C=C/C(C)=C/CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213287477 1040412913 /nfs/dbraw/zinc/41/29/13/1040412913.db2.gz CPFQUIXIROVQGY-QIUVRHOZSA-N 1 2 357.429 2.535 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cnn3ccc(Cl)nc13)CCC2 ZINC001248874288 1040486880 /nfs/dbraw/zinc/48/68/80/1040486880.db2.gz FPQHXEPGGLTZFF-UHFFFAOYSA-N 1 2 372.860 2.688 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cnn3ccc(Cl)nc13)CCC2 ZINC001248874288 1040486887 /nfs/dbraw/zinc/48/68/87/1040486887.db2.gz FPQHXEPGGLTZFF-UHFFFAOYSA-N 1 2 372.860 2.688 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2nc3ccccc3o2)C[C@H]1OC ZINC001213390041 1040500655 /nfs/dbraw/zinc/50/06/55/1040500655.db2.gz OZKGWZATSGWHHQ-WRWLIDTKSA-N 1 2 357.454 2.746 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2nc3ccccc3o2)C[C@H]1OC ZINC001213390041 1040500676 /nfs/dbraw/zinc/50/06/76/1040500676.db2.gz OZKGWZATSGWHHQ-WRWLIDTKSA-N 1 2 357.454 2.746 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)CC(C)(F)F ZINC001213392599 1040503678 /nfs/dbraw/zinc/50/36/78/1040503678.db2.gz GQKFIFLEOADBFH-HZPDHXFCSA-N 1 2 370.827 2.552 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)CC(C)(F)F ZINC001213392599 1040503691 /nfs/dbraw/zinc/50/36/91/1040503691.db2.gz GQKFIFLEOADBFH-HZPDHXFCSA-N 1 2 370.827 2.552 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)CCC(C)(C)C ZINC001213603452 1040709946 /nfs/dbraw/zinc/70/99/46/1040709946.db2.gz CNIKIDGWLGVTHE-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)CCC(C)(C)C ZINC001213603452 1040709952 /nfs/dbraw/zinc/70/99/52/1040709952.db2.gz CNIKIDGWLGVTHE-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC[C@@H](CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213636678 1040748182 /nfs/dbraw/zinc/74/81/82/1040748182.db2.gz SQHVLTFMEPJODA-MISYRCLQSA-N 1 2 360.473 2.819 20 30 FFEDLO CCC[C@@H](CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213636678 1040748195 /nfs/dbraw/zinc/74/81/95/1040748195.db2.gz SQHVLTFMEPJODA-MISYRCLQSA-N 1 2 360.473 2.819 20 30 FFEDLO C#CCN1C[C@@]2(F)C[N@@H+](Cc3c(C)sc4ccccc43)C[C@@]2(F)C1=O ZINC001276708965 1041285305 /nfs/dbraw/zinc/28/53/05/1041285305.db2.gz JGBGIJRXDAQMQQ-RBUKOAKNSA-N 1 2 360.429 2.917 20 30 FFEDLO C#CCN1C[C@@]2(F)C[N@H+](Cc3c(C)sc4ccccc43)C[C@@]2(F)C1=O ZINC001276708965 1041285314 /nfs/dbraw/zinc/28/53/14/1041285314.db2.gz JGBGIJRXDAQMQQ-RBUKOAKNSA-N 1 2 360.429 2.917 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC[C@@H]3C[C@H]3C3CC3)CC2)cc1 ZINC001255395180 1041317675 /nfs/dbraw/zinc/31/76/75/1041317675.db2.gz NJCYFCOPWWELEP-UXHICEINSA-N 1 2 352.482 2.822 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC001215322894 1041736633 /nfs/dbraw/zinc/73/66/33/1041736633.db2.gz LUJBVUXUEXOVKD-CHWSQXEVSA-N 1 2 354.401 2.527 20 30 FFEDLO CN(C)c1[nH+]ccc2c1CN(c1nnc(C3(C#N)CCCCC3)n1C)CC2 ZINC001262849106 1041899159 /nfs/dbraw/zinc/89/91/59/1041899159.db2.gz AUMSJTLIPSWRMV-UHFFFAOYSA-N 1 2 365.485 2.564 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCc2ccc(O)cc2C1 ZINC001262948164 1041981635 /nfs/dbraw/zinc/98/16/35/1041981635.db2.gz CQTPZYUPXHFQOB-GOSISDBHSA-N 1 2 353.470 2.889 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCc2ccc(O)cc2C1 ZINC001262948164 1041981640 /nfs/dbraw/zinc/98/16/40/1041981640.db2.gz CQTPZYUPXHFQOB-GOSISDBHSA-N 1 2 353.470 2.889 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](Cc3ccccc3)CCO2)nnc1N1CC[C@@H](C)C1 ZINC001262953992 1041986199 /nfs/dbraw/zinc/98/61/99/1041986199.db2.gz JCCNFLMCWQBYSF-MJGOQNOKSA-N 1 2 367.497 2.884 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nnc1N1CC[C@@H](C)C1 ZINC001262953992 1041986201 /nfs/dbraw/zinc/98/62/01/1041986201.db2.gz JCCNFLMCWQBYSF-MJGOQNOKSA-N 1 2 367.497 2.884 20 30 FFEDLO C=CCn1c(N2CC[NH+](Cc3cccc(F)c3)CC2)nnc1C1(OC)CC1 ZINC001263000285 1042021979 /nfs/dbraw/zinc/02/19/79/1042021979.db2.gz UFPZSCHWSCFLQX-UHFFFAOYSA-N 1 2 371.460 2.561 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H]2CSC[C@H]2C1 ZINC001263024731 1042042881 /nfs/dbraw/zinc/04/28/81/1042042881.db2.gz HLTGJXJHWDYKFK-DLBZAZTESA-N 1 2 374.558 2.580 20 30 FFEDLO C=C(C)CN(C)c1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1CC ZINC001263043855 1042061282 /nfs/dbraw/zinc/06/12/82/1042061282.db2.gz XMBJVNLPIZRGNY-GOSISDBHSA-N 1 2 355.486 2.884 20 30 FFEDLO C=C(C)CN(C)c1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1CC ZINC001263043855 1042061286 /nfs/dbraw/zinc/06/12/86/1042061286.db2.gz XMBJVNLPIZRGNY-GOSISDBHSA-N 1 2 355.486 2.884 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N(CCO)Cc1ccccc1 ZINC001263342582 1042250508 /nfs/dbraw/zinc/25/05/08/1042250508.db2.gz ZMXMMZHFFFQUMC-UHFFFAOYSA-N 1 2 369.513 2.839 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cscn2)C[C@H]1c1ccccc1 ZINC001263884574 1042507428 /nfs/dbraw/zinc/50/74/28/1042507428.db2.gz UYMWUZJOKJVIIX-NLWGTHIKSA-N 1 2 371.506 2.554 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cscn2)C[C@H]1c1ccccc1 ZINC001263884574 1042507430 /nfs/dbraw/zinc/50/74/30/1042507430.db2.gz UYMWUZJOKJVIIX-NLWGTHIKSA-N 1 2 371.506 2.554 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)c2ccccc2)[C@@H]1C ZINC001264155561 1042641011 /nfs/dbraw/zinc/64/10/11/1042641011.db2.gz WYXKINBFIFUULT-AEFFLSMTSA-N 1 2 357.498 2.831 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)c2ccccc2)[C@@H]1C ZINC001264155561 1042641012 /nfs/dbraw/zinc/64/10/12/1042641012.db2.gz WYXKINBFIFUULT-AEFFLSMTSA-N 1 2 357.498 2.831 20 30 FFEDLO C[C@H](CC(=O)N[C@H]1CCN(Cc2cc(F)ccc2C#N)[C@@H]1C)n1cc[nH+]c1 ZINC001264162349 1042645351 /nfs/dbraw/zinc/64/53/51/1042645351.db2.gz QMTHZHAVVWGKCK-CLCXKQKWSA-N 1 2 369.444 2.624 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2ncccc2Cl)C3)cc1C#N ZINC001279447602 1043124264 /nfs/dbraw/zinc/12/42/64/1043124264.db2.gz CJSGQZRIKUFTQT-WBVHZDCISA-N 1 2 355.873 2.651 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ncccc2Cl)C3)cc1C#N ZINC001279447602 1043124272 /nfs/dbraw/zinc/12/42/72/1043124272.db2.gz CJSGQZRIKUFTQT-WBVHZDCISA-N 1 2 355.873 2.651 20 30 FFEDLO N#Cc1cc(C[NH+]2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c(F)cc1F ZINC001237527550 1043219638 /nfs/dbraw/zinc/21/96/38/1043219638.db2.gz VFZOWQRDARPCNY-HUUCEWRRSA-N 1 2 360.433 2.857 20 30 FFEDLO Cn1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccc(O)c2F)cc1C#N ZINC001279688061 1043469287 /nfs/dbraw/zinc/46/92/87/1043469287.db2.gz BJWAIOPLHUSIPI-ROUUACIJSA-N 1 2 354.429 2.590 20 30 FFEDLO Cn1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccc(O)c2F)cc1C#N ZINC001279688061 1043469294 /nfs/dbraw/zinc/46/92/94/1043469294.db2.gz BJWAIOPLHUSIPI-ROUUACIJSA-N 1 2 354.429 2.590 20 30 FFEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2CC[N@H+]3CCc2cc(F)c(F)cc2F)CCC1 ZINC001279740773 1043564723 /nfs/dbraw/zinc/56/47/23/1043564723.db2.gz FBOUDERNKZQKSF-ORAYPTAESA-N 1 2 363.383 2.673 20 30 FFEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2CC[N@@H+]3CCc2cc(F)c(F)cc2F)CCC1 ZINC001279740773 1043564734 /nfs/dbraw/zinc/56/47/34/1043564734.db2.gz FBOUDERNKZQKSF-ORAYPTAESA-N 1 2 363.383 2.673 20 30 FFEDLO Cn1c[nH+]cc1C1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC001309957562 1043610090 /nfs/dbraw/zinc/61/00/90/1043610090.db2.gz NLDVVWDVNKOHRX-UHFFFAOYSA-N 1 2 364.858 2.513 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)NC2CCCCC2)cc1C#N ZINC001279841673 1043754834 /nfs/dbraw/zinc/75/48/34/1043754834.db2.gz RBHQLIMTUDJZPL-HDICACEKSA-N 1 2 355.486 2.588 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)NC2CCCCC2)cc1C#N ZINC001279841673 1043754844 /nfs/dbraw/zinc/75/48/44/1043754844.db2.gz RBHQLIMTUDJZPL-HDICACEKSA-N 1 2 355.486 2.588 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccc(F)c(-c3ccncc3)c2)CC1 ZINC001238557682 1043768446 /nfs/dbraw/zinc/76/84/46/1043768446.db2.gz KUXLSGZBWFSYHE-UHFFFAOYSA-N 1 2 374.423 2.872 20 30 FFEDLO CCCCCCCCCCS(=O)(=O)NC[C@H]([NH3+])C(=O)OC(C)(C)C ZINC001238895460 1043937127 /nfs/dbraw/zinc/93/71/27/1043937127.db2.gz JICYZQAYBPDOAV-HNNXBMFYSA-N 1 2 364.552 2.716 20 30 FFEDLO Cc1cc(C[N@@H+]2CCc3n[nH]c(C(=O)N4CC(CC#N)C4)c3C2)c(C)s1 ZINC001279970199 1044007275 /nfs/dbraw/zinc/00/72/75/1044007275.db2.gz QLZBKOYSQBWHHW-UHFFFAOYSA-N 1 2 369.494 2.632 20 30 FFEDLO Cc1cc(C[N@H+]2CCc3n[nH]c(C(=O)N4CC(CC#N)C4)c3C2)c(C)s1 ZINC001279970199 1044007284 /nfs/dbraw/zinc/00/72/84/1044007284.db2.gz QLZBKOYSQBWHHW-UHFFFAOYSA-N 1 2 369.494 2.632 20 30 FFEDLO Fc1cc(F)c(F)c(NC(=S)N2CC[NH2+]C[C@H]2C(F)(F)F)c1F ZINC001239461603 1044125638 /nfs/dbraw/zinc/12/56/38/1044125638.db2.gz RTXUJUHHKYBUDF-ZETCQYMHSA-N 1 2 361.286 2.776 20 30 FFEDLO Cn1cc(C[NH2+][C@]23CC[C@]([NH2+]C4CC[NH+](C)CC4)(C2)CCC3)cc1C#N ZINC001280071000 1044170319 /nfs/dbraw/zinc/17/03/19/1044170319.db2.gz INLRLZJZKJBFDG-RTWAWAEBSA-N 1 2 355.530 2.516 20 30 FFEDLO Cc1cc(CN2CC3(CC[N@H+]3Cc3cc(C#N)n(C)c3)C2)cc(F)c1F ZINC001278303702 1044175693 /nfs/dbraw/zinc/17/56/93/1044175693.db2.gz COLHYFRFSSJQNQ-UHFFFAOYSA-N 1 2 356.420 2.944 20 30 FFEDLO Cc1cc(CN2CC3(CC[N@@H+]3Cc3cc(C#N)n(C)c3)C2)cc(F)c1F ZINC001278303702 1044175699 /nfs/dbraw/zinc/17/56/99/1044175699.db2.gz COLHYFRFSSJQNQ-UHFFFAOYSA-N 1 2 356.420 2.944 20 30 FFEDLO O=C(OCc1ccccc1-c1ccc2[nH+]ccn2c1)ON1C(=O)CCC1=O ZINC001240219110 1044271611 /nfs/dbraw/zinc/27/16/11/1044271611.db2.gz AADVBZKVCSRHJR-UHFFFAOYSA-N 1 2 365.345 2.719 20 30 FFEDLO C#CCN(C(=O)N[C@@H](CC)C[NH+]1CCOCC1)[C@H]1CCCc2ccccc21 ZINC001313316639 1044311249 /nfs/dbraw/zinc/31/12/49/1044311249.db2.gz BBCRRXUXVXPQQV-FPOVZHCZSA-N 1 2 369.509 2.820 20 30 FFEDLO C#CCN(C)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001539149903 1070570757 /nfs/dbraw/zinc/57/07/57/1070570757.db2.gz WSDPBYHGJFBUGZ-UHFFFAOYSA-N 1 2 352.486 2.689 20 30 FFEDLO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1-c1c[nH+]c(N(C)C)cc1C ZINC001241235788 1044493467 /nfs/dbraw/zinc/49/34/67/1044493467.db2.gz SRFROQBWQMIHQG-ZDUSSCGKSA-N 1 2 361.405 2.846 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)CCc2ccncc2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001316784886 1044961959 /nfs/dbraw/zinc/96/19/59/1044961959.db2.gz LVULAEPJQGUGCH-QRWLVFNGSA-N 1 2 366.440 2.804 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)CCc2ccncc2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001316784886 1044961969 /nfs/dbraw/zinc/96/19/69/1044961969.db2.gz LVULAEPJQGUGCH-QRWLVFNGSA-N 1 2 366.440 2.804 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001281620984 1044975231 /nfs/dbraw/zinc/97/52/31/1044975231.db2.gz MJYIUHFLIASKCE-KBXCAEBGSA-N 1 2 352.438 2.592 20 30 FFEDLO C#CCN(CC)c1nnc(-c2cnccn2)n1CCCc1cccc(C)[nH+]1 ZINC001539363864 1070622438 /nfs/dbraw/zinc/62/24/38/1070622438.db2.gz WNMLSHJEMPMIDR-UHFFFAOYSA-N 1 2 361.453 2.531 20 30 FFEDLO COc1cc(F)cc(N[NH+]=Cc2sc(N3CCOCC3)nc2C)c1 ZINC001319610554 1045212685 /nfs/dbraw/zinc/21/26/85/1045212685.db2.gz YZDAWIIXSCPWBL-UHFFFAOYSA-N 1 2 350.419 2.882 20 30 FFEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@@](CC)(c2ccc(Cl)cc2)C1=O ZINC001320139528 1045355014 /nfs/dbraw/zinc/35/50/14/1045355014.db2.gz FVESUXXOFMIGQF-IBGZPJMESA-N 1 2 359.857 2.800 20 30 FFEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@@](CC)(c2ccc(Cl)cc2)C1=O ZINC001320139528 1045355020 /nfs/dbraw/zinc/35/50/20/1045355020.db2.gz FVESUXXOFMIGQF-IBGZPJMESA-N 1 2 359.857 2.800 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C(=O)OCC)C1 ZINC001320160120 1045359188 /nfs/dbraw/zinc/35/91/88/1045359188.db2.gz MOJSCOHGOHPSHC-AWEZNQCLSA-N 1 2 366.483 2.757 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C(=O)OCC)C1 ZINC001320160120 1045359195 /nfs/dbraw/zinc/35/91/95/1045359195.db2.gz MOJSCOHGOHPSHC-AWEZNQCLSA-N 1 2 366.483 2.757 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001320165635 1045359734 /nfs/dbraw/zinc/35/97/34/1045359734.db2.gz OABXRKGUNQRFTG-PKOBYXMFSA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001320165635 1045359737 /nfs/dbraw/zinc/35/97/37/1045359737.db2.gz OABXRKGUNQRFTG-PKOBYXMFSA-N 1 2 373.453 2.730 20 30 FFEDLO C=CCCCC(=O)NC[C@]12CCC[C@H]1N(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001282582663 1045928165 /nfs/dbraw/zinc/92/81/65/1045928165.db2.gz MTUDSPDFBQPUIF-OXQOHEQNSA-N 1 2 358.486 2.586 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001282732672 1046140491 /nfs/dbraw/zinc/14/04/91/1046140491.db2.gz UERCFCISZJWXEJ-SRABZTEZSA-N 1 2 370.497 2.680 20 30 FFEDLO C=C(Br)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001324961133 1046309592 /nfs/dbraw/zinc/30/95/92/1046309592.db2.gz NWQNXPKPHZOMAZ-AIANPOQGSA-N 1 2 371.319 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001324961133 1046309604 /nfs/dbraw/zinc/30/96/04/1046309604.db2.gz NWQNXPKPHZOMAZ-AIANPOQGSA-N 1 2 371.319 2.681 20 30 FFEDLO C[C@@H](NC(=O)C#Cc1cccs1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001325166214 1046401459 /nfs/dbraw/zinc/40/14/59/1046401459.db2.gz TZDFWHDRTMWJSE-VQIMIIECSA-N 1 2 354.475 2.505 20 30 FFEDLO C[C@@H](NC(=O)C#Cc1cccs1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001325166214 1046401464 /nfs/dbraw/zinc/40/14/64/1046401464.db2.gz TZDFWHDRTMWJSE-VQIMIIECSA-N 1 2 354.475 2.505 20 30 FFEDLO C[C@@H](NC(=O)C#Cc1cccs1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001325166211 1046401481 /nfs/dbraw/zinc/40/14/81/1046401481.db2.gz TZDFWHDRTMWJSE-APWZRJJASA-N 1 2 354.475 2.505 20 30 FFEDLO C[C@@H](NC(=O)C#Cc1cccs1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001325166211 1046401490 /nfs/dbraw/zinc/40/14/90/1046401490.db2.gz TZDFWHDRTMWJSE-APWZRJJASA-N 1 2 354.475 2.505 20 30 FFEDLO C#CCCCn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1C(C)(C)C ZINC001286359229 1047083986 /nfs/dbraw/zinc/08/39/86/1047083986.db2.gz AGNNUCMAIYGODA-UHFFFAOYSA-N 1 2 352.486 2.711 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2Cc2ccc(C)cc2F)CC1 ZINC001286470461 1047121608 /nfs/dbraw/zinc/12/16/08/1047121608.db2.gz ZODSHSQATLHRJC-UHFFFAOYSA-N 1 2 355.461 2.653 20 30 FFEDLO C=C1CCN(c2nnc(C)n2C[C@@H](c2cccs2)[NH+]2CCOCC2)CC1 ZINC001286637816 1047144524 /nfs/dbraw/zinc/14/45/24/1047144524.db2.gz NHXXIIQCJPIHBX-KRWDZBQOSA-N 1 2 373.526 2.878 20 30 FFEDLO C=CCN(C)c1nnc(Cc2ccccc2C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001286724385 1047162916 /nfs/dbraw/zinc/16/29/16/1047162916.db2.gz MHVPUESVOZALLI-SFHVURJKSA-N 1 2 369.513 2.520 20 30 FFEDLO C=CCN(C)c1nnc(Cc2ccccc2C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001286724385 1047162931 /nfs/dbraw/zinc/16/29/31/1047162931.db2.gz MHVPUESVOZALLI-SFHVURJKSA-N 1 2 369.513 2.520 20 30 FFEDLO C=CCCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001290755766 1048375184 /nfs/dbraw/zinc/37/51/84/1048375184.db2.gz QVOOZOOZKKTOQD-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001290755766 1048375195 /nfs/dbraw/zinc/37/51/95/1048375195.db2.gz QVOOZOOZKKTOQD-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C#CCCCCCC(=O)N(C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001333574772 1048984228 /nfs/dbraw/zinc/98/42/28/1048984228.db2.gz GEXHMZQAFHVDNO-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO C#CCCCCCC(=O)N(C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001333574772 1048984234 /nfs/dbraw/zinc/98/42/34/1048984234.db2.gz GEXHMZQAFHVDNO-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)c1 ZINC001292438057 1049345086 /nfs/dbraw/zinc/34/50/86/1049345086.db2.gz XNQNZLQWZCQNNN-UHFFFAOYSA-N 1 2 367.430 2.692 20 30 FFEDLO C=C1CC(C)(C(=O)N(C)C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001294955901 1049848979 /nfs/dbraw/zinc/84/89/79/1049848979.db2.gz HIMBOYZNWJBCCD-GVDBMIGSSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C1CC(C)(C(=O)N(C)C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001294955901 1049848990 /nfs/dbraw/zinc/84/89/90/1049848990.db2.gz HIMBOYZNWJBCCD-GVDBMIGSSA-N 1 2 370.497 2.567 20 30 FFEDLO [NH3+][C@H](CC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)C(F)F ZINC001341809389 1050423883 /nfs/dbraw/zinc/42/38/83/1050423883.db2.gz GOVQQUUWJWWIAF-XCBNKYQSSA-N 1 2 362.245 2.990 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001341854769 1050466193 /nfs/dbraw/zinc/46/61/93/1050466193.db2.gz UWMBGUUYEBYZAH-QGZVFWFLSA-N 1 2 369.517 2.568 20 30 FFEDLO CC#CCCCC(=O)N1CCCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001340239557 1050648311 /nfs/dbraw/zinc/64/83/11/1050648311.db2.gz HTDSFDGIKWQUTR-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO CC#CCCCC(=O)N1CCCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001340239557 1050648318 /nfs/dbraw/zinc/64/83/18/1050648318.db2.gz HTDSFDGIKWQUTR-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(Cc1cccc(F)c1)C(C)C ZINC001342061448 1050658282 /nfs/dbraw/zinc/65/82/82/1050658282.db2.gz HPWWJMMPQKJPQQ-QZTJIDSGSA-N 1 2 373.476 2.756 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(Cc1cccc(F)c1)C(C)C ZINC001342061448 1050658293 /nfs/dbraw/zinc/65/82/93/1050658293.db2.gz HPWWJMMPQKJPQQ-QZTJIDSGSA-N 1 2 373.476 2.756 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(Cc1cccc(F)c1)C1CC1 ZINC001342062306 1050659724 /nfs/dbraw/zinc/65/97/24/1050659724.db2.gz SNVWYWUXBBLTIW-MSOLQXFVSA-N 1 2 371.460 2.510 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(Cc1cccc(F)c1)C1CC1 ZINC001342062306 1050659730 /nfs/dbraw/zinc/65/97/30/1050659730.db2.gz SNVWYWUXBBLTIW-MSOLQXFVSA-N 1 2 371.460 2.510 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(Cc1ccccc1F)C1CC1 ZINC001340373869 1050766616 /nfs/dbraw/zinc/76/66/16/1050766616.db2.gz GAPIERLCZXEXMX-SJLPKXTDSA-N 1 2 371.460 2.510 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(Cc1ccccc1F)C1CC1 ZINC001340373869 1050766626 /nfs/dbraw/zinc/76/66/26/1050766626.db2.gz GAPIERLCZXEXMX-SJLPKXTDSA-N 1 2 371.460 2.510 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC001340376029 1050769534 /nfs/dbraw/zinc/76/95/34/1050769534.db2.gz RNGYCOUGUAYECK-KANFNMMFSA-N 1 2 367.497 2.584 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC001340376029 1050769549 /nfs/dbraw/zinc/76/95/49/1050769549.db2.gz RNGYCOUGUAYECK-KANFNMMFSA-N 1 2 367.497 2.584 20 30 FFEDLO COCCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)[C@H](C)CC#N ZINC001342343716 1050938117 /nfs/dbraw/zinc/93/81/17/1050938117.db2.gz CJNLYWQYFYLTCZ-IAGOWNOFSA-N 1 2 370.501 2.856 20 30 FFEDLO COCCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)[C@H](C)CC#N ZINC001342343716 1050938129 /nfs/dbraw/zinc/93/81/29/1050938129.db2.gz CJNLYWQYFYLTCZ-IAGOWNOFSA-N 1 2 370.501 2.856 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc([C@]2(C)C[C@@H](O)C[N@H+]2C)n1CC=C ZINC001340571300 1050957294 /nfs/dbraw/zinc/95/72/94/1050957294.db2.gz MRYPSALTKHFMPS-NQIIRXRSSA-N 1 2 367.497 2.568 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc([C@]2(C)C[C@@H](O)C[N@@H+]2C)n1CC=C ZINC001340571300 1050957301 /nfs/dbraw/zinc/95/73/01/1050957301.db2.gz MRYPSALTKHFMPS-NQIIRXRSSA-N 1 2 367.497 2.568 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C(C)(C)C)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001340573892 1050959817 /nfs/dbraw/zinc/95/98/17/1050959817.db2.gz ZUKLXUKPHYNGEW-FTRWYGJKSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C(C)(C)C)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001340573892 1050959831 /nfs/dbraw/zinc/95/98/31/1050959831.db2.gz ZUKLXUKPHYNGEW-FTRWYGJKSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](O)C[N@@H+]2C)n1CCc1ccccc1 ZINC001342402574 1050997732 /nfs/dbraw/zinc/99/77/32/1050997732.db2.gz ZFRJRSLURIGRSM-RTBURBONSA-N 1 2 369.513 2.661 20 30 FFEDLO C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](O)C[N@H+]2C)n1CCc1ccccc1 ZINC001342402574 1050997740 /nfs/dbraw/zinc/99/77/40/1050997740.db2.gz ZFRJRSLURIGRSM-RTBURBONSA-N 1 2 369.513 2.661 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc(Cc3[nH+]ccn3C)n2Cc2ccccc2)C1 ZINC001340676230 1051045569 /nfs/dbraw/zinc/04/55/69/1051045569.db2.gz IZGKJWWSILGREW-SFHVURJKSA-N 1 2 374.492 2.890 20 30 FFEDLO CCOCCCn1c(C[NH+]2CCCCC2)nnc1N1CCC(C)(C#N)CC1 ZINC001342458955 1051056917 /nfs/dbraw/zinc/05/69/17/1051056917.db2.gz FRGWVDAGROETGV-UHFFFAOYSA-N 1 2 374.533 2.821 20 30 FFEDLO C=C(C)Cn1c(N(C)c2ccc(C)cc2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001342522362 1051124995 /nfs/dbraw/zinc/12/49/95/1051124995.db2.gz LIUZVQMQMJZSPZ-YLJYHZDGSA-N 1 2 355.486 2.842 20 30 FFEDLO C=C(C)Cn1c(N(C)c2ccc(C)cc2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001342522362 1051125001 /nfs/dbraw/zinc/12/50/01/1051125001.db2.gz LIUZVQMQMJZSPZ-YLJYHZDGSA-N 1 2 355.486 2.842 20 30 FFEDLO C=C(C)Cn1c(N(C)c2ccc(C)cc2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001342522358 1051125462 /nfs/dbraw/zinc/12/54/62/1051125462.db2.gz LIUZVQMQMJZSPZ-FXAWDEMLSA-N 1 2 355.486 2.842 20 30 FFEDLO C=C(C)Cn1c(N(C)c2ccc(C)cc2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001342522358 1051125468 /nfs/dbraw/zinc/12/54/68/1051125468.db2.gz LIUZVQMQMJZSPZ-FXAWDEMLSA-N 1 2 355.486 2.842 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3nc(C(C)C)c(C)s3)n2CC)CC1 ZINC001342714488 1051331852 /nfs/dbraw/zinc/33/18/52/1051331852.db2.gz CKKBMGGOUWMJFE-UHFFFAOYSA-N 1 2 372.542 2.532 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CC=C(C)CC1 ZINC001343001619 1051617543 /nfs/dbraw/zinc/61/75/43/1051617543.db2.gz YDHKERDAZMCNRR-ZWKOTPCHSA-N 1 2 357.502 2.936 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CC=C(C)CC1 ZINC001343001619 1051617548 /nfs/dbraw/zinc/61/75/48/1051617548.db2.gz YDHKERDAZMCNRR-ZWKOTPCHSA-N 1 2 357.502 2.936 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cccn2)[C@H]1CC ZINC001316738616 1051950463 /nfs/dbraw/zinc/95/04/63/1051950463.db2.gz HRTCMWZYPZMGOX-QLFBSQMISA-N 1 2 369.307 2.712 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cccn2)[C@H]1CC ZINC001316738616 1051950469 /nfs/dbraw/zinc/95/04/69/1051950469.db2.gz HRTCMWZYPZMGOX-QLFBSQMISA-N 1 2 369.307 2.712 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](CC(C)C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001343286669 1052135702 /nfs/dbraw/zinc/13/57/02/1052135702.db2.gz GUXSCFXJIBYBRE-HLIPFELVSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](CC(C)C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001343286669 1052135708 /nfs/dbraw/zinc/13/57/08/1052135708.db2.gz GUXSCFXJIBYBRE-HLIPFELVSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc([C@]2(C)C[C@@H](O)C[N@H+]2C)n1CC(=C)C ZINC001343287197 1052135905 /nfs/dbraw/zinc/13/59/05/1052135905.db2.gz IQVCUJAIVVELCL-HLIPFELVSA-N 1 2 359.518 2.701 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc([C@]2(C)C[C@@H](O)C[N@@H+]2C)n1CC(=C)C ZINC001343287197 1052135909 /nfs/dbraw/zinc/13/59/09/1052135909.db2.gz IQVCUJAIVVELCL-HLIPFELVSA-N 1 2 359.518 2.701 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](CC(C)C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001343286672 1052135919 /nfs/dbraw/zinc/13/59/19/1052135919.db2.gz GUXSCFXJIBYBRE-MBOZVWFJSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](CC(C)C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001343286672 1052135921 /nfs/dbraw/zinc/13/59/21/1052135921.db2.gz GUXSCFXJIBYBRE-MBOZVWFJSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](CC(C)C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001343286667 1052136064 /nfs/dbraw/zinc/13/60/64/1052136064.db2.gz GUXSCFXJIBYBRE-FUHIMQAGSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](CC(C)C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001343286667 1052136067 /nfs/dbraw/zinc/13/60/67/1052136067.db2.gz GUXSCFXJIBYBRE-FUHIMQAGSA-N 1 2 361.534 2.638 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)n2CC(C)C)C1 ZINC001343469558 1052250765 /nfs/dbraw/zinc/25/07/65/1052250765.db2.gz OIRQQLWGFGBTID-GUDVDZBRSA-N 1 2 371.529 2.710 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)n2CC(C)C)C1 ZINC001343469558 1052250770 /nfs/dbraw/zinc/25/07/70/1052250770.db2.gz OIRQQLWGFGBTID-GUDVDZBRSA-N 1 2 371.529 2.710 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@@H]3C[N@@H+](C(C)C)CCO3)n2CC(C)C)C1 ZINC001343470566 1052252081 /nfs/dbraw/zinc/25/20/81/1052252081.db2.gz WCQWWLKGFUTGKR-MSOLQXFVSA-N 1 2 359.518 2.565 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@@H]3C[N@H+](C(C)C)CCO3)n2CC(C)C)C1 ZINC001343470566 1052252086 /nfs/dbraw/zinc/25/20/86/1052252086.db2.gz WCQWWLKGFUTGKR-MSOLQXFVSA-N 1 2 359.518 2.565 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@H]1Cc1ccnn1C ZINC001343547026 1052298047 /nfs/dbraw/zinc/29/80/47/1052298047.db2.gz VMNOFTYLHFRJQO-ROUUACIJSA-N 1 2 369.517 2.566 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@H]1Cc1ccnn1C ZINC001343547026 1052298051 /nfs/dbraw/zinc/29/80/51/1052298051.db2.gz VMNOFTYLHFRJQO-ROUUACIJSA-N 1 2 369.517 2.566 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@@H](C)C[C@@H]1CC ZINC001343580992 1052319053 /nfs/dbraw/zinc/31/90/53/1052319053.db2.gz KZYCRVNPJGAENU-WMZOPIPTSA-N 1 2 361.534 2.683 20 30 FFEDLO C#CC[N@@H+]([C@H](C)C(=O)OCCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308075773 1052400411 /nfs/dbraw/zinc/40/04/11/1052400411.db2.gz QKVOEWQSTVSKIM-OAHLLOKOSA-N 1 2 352.475 2.663 20 30 FFEDLO C#CC[N@H+]([C@H](C)C(=O)OCCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308075773 1052400414 /nfs/dbraw/zinc/40/04/14/1052400414.db2.gz QKVOEWQSTVSKIM-OAHLLOKOSA-N 1 2 352.475 2.663 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C(=O)OC)c(C)c2)c1 ZINC001308612956 1052477117 /nfs/dbraw/zinc/47/71/17/1052477117.db2.gz WXYHKHKDLGVTPA-UHFFFAOYSA-N 1 2 350.418 2.833 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C(=O)OC)c(C)c2)c1 ZINC001308612956 1052477118 /nfs/dbraw/zinc/47/71/18/1052477118.db2.gz WXYHKHKDLGVTPA-UHFFFAOYSA-N 1 2 350.418 2.833 20 30 FFEDLO O=C(Cc1ccccc1)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001345546863 1052501714 /nfs/dbraw/zinc/50/17/14/1052501714.db2.gz HPBVQKJRBZUBOD-UHFFFAOYSA-N 1 2 355.459 2.718 20 30 FFEDLO N#CCC1CCN(c2nnc(C[NH+]3CCCCC3)n2C[C@@H]2CCCO2)CC1 ZINC001344118395 1052607328 /nfs/dbraw/zinc/60/73/28/1052607328.db2.gz NDTABOYSBYVQIA-SFHVURJKSA-N 1 2 372.517 2.573 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001344512113 1052811908 /nfs/dbraw/zinc/81/19/08/1052811908.db2.gz IRAQYJHFBBEUPE-VYDXJSESSA-N 1 2 360.502 2.544 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001344512113 1052811909 /nfs/dbraw/zinc/81/19/09/1052811909.db2.gz IRAQYJHFBBEUPE-VYDXJSESSA-N 1 2 360.502 2.544 20 30 FFEDLO CCCN(CC)c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@H]1CCCO1 ZINC001344597374 1052852994 /nfs/dbraw/zinc/85/29/94/1052852994.db2.gz URUVCIJOMMPYJH-GOSISDBHSA-N 1 2 374.533 2.786 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2Cc2cccs2)C1 ZINC001344633137 1052869725 /nfs/dbraw/zinc/86/97/25/1052869725.db2.gz KPBNLKIXUDMGAL-MRXNPFEDSA-N 1 2 355.511 2.833 20 30 FFEDLO C#CC1CCN(c2nnc(C[NH+]3CCCCC3)n2C[C@H]2CCCCO2)CC1 ZINC001344748261 1052914397 /nfs/dbraw/zinc/91/43/97/1052914397.db2.gz BGDATRZLEUCAJN-LJQANCHMSA-N 1 2 371.529 2.683 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)OCCc2cn3c([nH+]2)CCCC3)cc1 ZINC001344799222 1052932647 /nfs/dbraw/zinc/93/26/47/1052932647.db2.gz OGCXOPWWXRWSMP-IBGZPJMESA-N 1 2 364.449 2.846 20 30 FFEDLO CC(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(CC#N)CC1 ZINC001344823650 1052942024 /nfs/dbraw/zinc/94/20/24/1052942024.db2.gz XTXHBWYXYOWGQD-GOSISDBHSA-N 1 2 374.533 2.846 20 30 FFEDLO CC(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(CC#N)CC1 ZINC001344823650 1052942027 /nfs/dbraw/zinc/94/20/27/1052942027.db2.gz XTXHBWYXYOWGQD-GOSISDBHSA-N 1 2 374.533 2.846 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)c1conc1C1CC1 ZINC001346719703 1053256123 /nfs/dbraw/zinc/25/61/23/1053256123.db2.gz CPUMPHUWNULCAG-UHFFFAOYSA-N 1 2 372.446 2.654 20 30 FFEDLO CN(C)S(=O)(=O)c1ccccc1N[NH+]=Cc1ccc(N)c(Cl)c1 ZINC001347527297 1054072166 /nfs/dbraw/zinc/07/21/66/1054072166.db2.gz GDYKSFBDMNODIZ-UHFFFAOYSA-N 1 2 352.847 2.619 20 30 FFEDLO CN(C)c1[nH+]ccc2c1CN(c1nc3cc(Cl)ccn3c1C#N)CC2 ZINC001336829592 1054264993 /nfs/dbraw/zinc/26/49/93/1054264993.db2.gz QAERFPNHCDBNJA-UHFFFAOYSA-N 1 2 352.829 2.883 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC(c2ccn(C)n2)CC1 ZINC001351656463 1054941842 /nfs/dbraw/zinc/94/18/42/1054941842.db2.gz HFLRUTIYWTYCPG-UHFFFAOYSA-N 1 2 369.517 2.568 20 30 FFEDLO CN(c1nnc([C@H]2CCC[N@@H+]2C)n1C[C@H]1CCCCO1)[C@@H]1CCC[C@@H]1C#N ZINC001349425683 1055249532 /nfs/dbraw/zinc/24/95/32/1055249532.db2.gz VELOXOZQMUOCEN-BRSBDYLESA-N 1 2 372.517 2.742 20 30 FFEDLO CN(c1nnc([C@H]2CCC[N@H+]2C)n1C[C@H]1CCCCO1)[C@@H]1CCC[C@@H]1C#N ZINC001349425683 1055249544 /nfs/dbraw/zinc/24/95/44/1055249544.db2.gz VELOXOZQMUOCEN-BRSBDYLESA-N 1 2 372.517 2.742 20 30 FFEDLO COC(=O)/C=C\c1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)o1 ZINC000848875654 1055282183 /nfs/dbraw/zinc/28/21/83/1055282183.db2.gz CQAFMXXHICYCFC-GDCKJWNLSA-N 1 2 365.433 2.848 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC3CC4(CC4(F)F)C3)CC2)cc1 ZINC001350395123 1055755254 /nfs/dbraw/zinc/75/52/54/1055755254.db2.gz VEYDNHCPXQNDMA-UHFFFAOYSA-N 1 2 360.408 2.573 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1cnn(CC)c1 ZINC001357127151 1055786781 /nfs/dbraw/zinc/78/67/81/1055786781.db2.gz RIFFZPSSWSJEJE-KRWDZBQOSA-N 1 2 357.506 2.864 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)Cc1cnn(CC)c1 ZINC001357127151 1055786789 /nfs/dbraw/zinc/78/67/89/1055786789.db2.gz RIFFZPSSWSJEJE-KRWDZBQOSA-N 1 2 357.506 2.864 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(CCOC)Cc1ccco1 ZINC001338927902 1055940744 /nfs/dbraw/zinc/94/07/44/1055940744.db2.gz ZOYJUVSXDDRCQN-UHFFFAOYSA-N 1 2 359.474 2.696 20 30 FFEDLO C=CCn1c(N2CCCC3(CCCC3)CC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001339198046 1056193523 /nfs/dbraw/zinc/19/35/23/1056193523.db2.gz UTBQNRBKKHLCEY-PXNSSMCTSA-N 1 2 373.545 2.926 20 30 FFEDLO C=CCn1c(N2CCCC3(CCCC3)CC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339198046 1056193535 /nfs/dbraw/zinc/19/35/35/1056193535.db2.gz UTBQNRBKKHLCEY-PXNSSMCTSA-N 1 2 373.545 2.926 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H]1CSC ZINC001339502021 1056520577 /nfs/dbraw/zinc/52/05/77/1056520577.db2.gz SVHONUXCXBEDFK-INIZCTEOSA-N 1 2 362.547 2.723 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCCC2(CCCC2)CC1 ZINC001339528256 1056549148 /nfs/dbraw/zinc/54/91/48/1056549148.db2.gz ABXBBVWXVPVUOZ-IRXDYDNUSA-N 1 2 359.518 2.752 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCCC2(CCCC2)CC1 ZINC001339528256 1056549165 /nfs/dbraw/zinc/54/91/65/1056549165.db2.gz ABXBBVWXVPVUOZ-IRXDYDNUSA-N 1 2 359.518 2.752 20 30 FFEDLO C#CCN(CC#CC)c1nnc(C(C)C)n1CCCNc1cccc[nH+]1 ZINC001358985358 1056635245 /nfs/dbraw/zinc/63/52/45/1056635245.db2.gz WVZPZPFGJIVFLV-UHFFFAOYSA-N 1 2 350.470 2.762 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(C2CCC2)CC1 ZINC001339629891 1056655594 /nfs/dbraw/zinc/65/55/94/1056655594.db2.gz UJYLOLIEEKGXCZ-UHFFFAOYSA-N 1 2 356.518 2.925 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CCc2sccc2C)CC1 ZINC001359028828 1056664929 /nfs/dbraw/zinc/66/49/29/1056664929.db2.gz FQFHQRTTYZGVSQ-UHFFFAOYSA-N 1 2 357.527 2.769 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C/C=C\CC)CC1 ZINC001359032231 1056665470 /nfs/dbraw/zinc/66/54/70/1056665470.db2.gz GYYIUDYBVRXBFE-WAYWQWQTSA-N 1 2 370.888 2.715 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccn3)n2CC2=CCCCC2)CC1 ZINC001359033793 1056666983 /nfs/dbraw/zinc/66/69/83/1056666983.db2.gz QDOFEEHAMWJDMO-UHFFFAOYSA-N 1 2 362.481 2.596 20 30 FFEDLO C=CC1CCN(c2nnc(C3CCC3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001359178499 1056772775 /nfs/dbraw/zinc/77/27/75/1056772775.db2.gz SZRHZWWRWUZRBX-INIZCTEOSA-N 1 2 359.518 2.669 20 30 FFEDLO C[C@@H]1CCC[C@@H](CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])O1 ZINC000849174619 1056790415 /nfs/dbraw/zinc/79/04/15/1056790415.db2.gz SCMMKLZRLZWWSB-KGLIPLIRSA-N 1 2 354.454 2.604 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001513227961 1058290251 /nfs/dbraw/zinc/29/02/51/1058290251.db2.gz GTQCPQKVLXBWCL-KZNAEPCWSA-N 1 2 360.502 2.790 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001513227959 1058290649 /nfs/dbraw/zinc/29/06/49/1058290649.db2.gz GTQCPQKVLXBWCL-KURKYZTESA-N 1 2 360.502 2.790 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@H+](Cc2coc(C)n2)C1 ZINC001500537572 1058521416 /nfs/dbraw/zinc/52/14/16/1058521416.db2.gz IIAHIPCMUAQPKE-CMKODMSKSA-N 1 2 361.486 2.683 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](Cc2coc(C)n2)C1 ZINC001500537572 1058521435 /nfs/dbraw/zinc/52/14/35/1058521435.db2.gz IIAHIPCMUAQPKE-CMKODMSKSA-N 1 2 361.486 2.683 20 30 FFEDLO Cc1ccc2c(c1)CN(c1nnc(C3CC[NH+](CCC#N)CC3)n1C)CC2 ZINC001519701815 1058972976 /nfs/dbraw/zinc/97/29/76/1058972976.db2.gz KPABKEGMISGXEA-UHFFFAOYSA-N 1 2 364.497 2.779 20 30 FFEDLO C=CC1(CC(=O)N[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001354506868 1059086183 /nfs/dbraw/zinc/08/61/83/1059086183.db2.gz ADJOZCHYOGGGBA-ARFHVFGLSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CC1(CC(=O)N[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001354506868 1059086208 /nfs/dbraw/zinc/08/62/08/1059086208.db2.gz ADJOZCHYOGGGBA-ARFHVFGLSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C(C)Cn1c(N2CCC(CC)(CC)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001515003871 1059213149 /nfs/dbraw/zinc/21/31/49/1059213149.db2.gz ODRUQVINTAPKCR-QFBILLFUSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC(CC)(CC)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001515003871 1059213169 /nfs/dbraw/zinc/21/31/69/1059213169.db2.gz ODRUQVINTAPKCR-QFBILLFUSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@]2(CCSC2)C1 ZINC001515041920 1059252240 /nfs/dbraw/zinc/25/22/40/1059252240.db2.gz HGMACDOOCAQQIO-IBGZPJMESA-N 1 2 372.542 2.902 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1cc(C#N)cs1 ZINC001515042167 1059253664 /nfs/dbraw/zinc/25/36/64/1059253664.db2.gz LHYJZPIFQITOLD-UHFFFAOYSA-N 1 2 367.482 2.748 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2Cc2ccccc2C)CC1 ZINC001300682670 1059317442 /nfs/dbraw/zinc/31/74/42/1059317442.db2.gz IMLGNUVVWMRTPN-QGZVFWFLSA-N 1 2 351.498 2.904 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](c2ccn(C)n2)C1 ZINC001520304964 1059588743 /nfs/dbraw/zinc/58/87/43/1059588743.db2.gz FBCYTZWBEICWQJ-WMZOPIPTSA-N 1 2 369.517 2.738 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](c2ccn(C)n2)C1 ZINC001520304964 1059588758 /nfs/dbraw/zinc/58/87/58/1059588758.db2.gz FBCYTZWBEICWQJ-WMZOPIPTSA-N 1 2 369.517 2.738 20 30 FFEDLO C=CCN(c1nnc(C2CCCC2)n1C[C@@H](C)[NH+]1CCOCC1)C1CC1 ZINC001507994725 1059787689 /nfs/dbraw/zinc/78/76/89/1059787689.db2.gz XNILXOLITWUTAW-MRXNPFEDSA-N 1 2 359.518 2.811 20 30 FFEDLO N#Cc1ccccc1C(F)(F)C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001455442150 1059788501 /nfs/dbraw/zinc/78/85/01/1059788501.db2.gz QBWKAZATIAOTLZ-QGZVFWFLSA-N 1 2 359.351 2.962 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1C[C@]2(C)COC[C@]2(C)C1 ZINC001515995965 1059922740 /nfs/dbraw/zinc/92/27/40/1059922740.db2.gz CJLAXSYXDMZGPU-AHRSYUTCSA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1C[C@]2(C)COC[C@]2(C)C1 ZINC001515995965 1059922760 /nfs/dbraw/zinc/92/27/60/1059922760.db2.gz CJLAXSYXDMZGPU-AHRSYUTCSA-N 1 2 359.518 2.874 20 30 FFEDLO Cc1ccn(C[NH+]2CCC(c3ccc4cccnc4n3)CC2)c(=O)c1C#N ZINC000848496245 1060161312 /nfs/dbraw/zinc/16/13/12/1060161312.db2.gz ZIMLTJXSBVHCKB-UHFFFAOYSA-N 1 2 359.433 2.809 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](Cn1c(C)nnc1N1CCC[C@](C)(C#N)C1)CCC2 ZINC001511423807 1060345069 /nfs/dbraw/zinc/34/50/69/1060345069.db2.gz PONFZTGGQLSWKK-QFBILLFUSA-N 1 2 353.474 2.799 20 30 FFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001521342404 1060546627 /nfs/dbraw/zinc/54/66/27/1060546627.db2.gz HEGVCOXHMQPRCR-ZFWWWQNUSA-N 1 2 370.950 2.733 20 30 FFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001521342404 1060546646 /nfs/dbraw/zinc/54/66/46/1060546646.db2.gz HEGVCOXHMQPRCR-ZFWWWQNUSA-N 1 2 370.950 2.733 20 30 FFEDLO C=CCn1c(Nc2cnn(C3CCC3)c2)nnc1[C@H]1C[N@H+](C(C)C)CCO1 ZINC001355886429 1060696330 /nfs/dbraw/zinc/69/63/30/1060696330.db2.gz GXMCQQWLKZHHDD-QGZVFWFLSA-N 1 2 371.489 2.911 20 30 FFEDLO C=CCn1c(Nc2cnn(C3CCC3)c2)nnc1[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001355886429 1060696335 /nfs/dbraw/zinc/69/63/35/1060696335.db2.gz GXMCQQWLKZHHDD-QGZVFWFLSA-N 1 2 371.489 2.911 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@@H]1c1ccc(C)cc1 ZINC001355920661 1060729233 /nfs/dbraw/zinc/72/92/33/1060729233.db2.gz VAYWSSYZVVSZEP-OTWHNJEPSA-N 1 2 367.497 2.852 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H]1c1ccc(C)cc1 ZINC001355920661 1060729247 /nfs/dbraw/zinc/72/92/47/1060729247.db2.gz VAYWSSYZVVSZEP-OTWHNJEPSA-N 1 2 367.497 2.852 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@@H](C)OC2(CCCC2)C1 ZINC001355941323 1060745576 /nfs/dbraw/zinc/74/55/76/1060745576.db2.gz DQDYJAIAIQSPPP-QGZVFWFLSA-N 1 2 359.518 2.988 20 30 FFEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC001459928830 1060852115 /nfs/dbraw/zinc/85/21/15/1060852115.db2.gz CHVCIPWDAVSIEX-RTBURBONSA-N 1 2 367.424 2.848 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[NH+]2CCC(CC(F)(F)F)CC2)c1 ZINC001460087076 1060894239 /nfs/dbraw/zinc/89/42/39/1060894239.db2.gz XKNIJSZBLAMJQL-UHFFFAOYSA-N 1 2 367.371 2.980 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3CCC[N@H+]3C)n2C[C@H]2CCCCO2)C1 ZINC001526385003 1061107336 /nfs/dbraw/zinc/10/73/36/1061107336.db2.gz RLOPEDMRIBDXMP-GUDVDZBRSA-N 1 2 371.529 2.854 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3CCC[N@@H+]3C)n2C[C@H]2CCCCO2)C1 ZINC001526385003 1061107346 /nfs/dbraw/zinc/10/73/46/1061107346.db2.gz RLOPEDMRIBDXMP-GUDVDZBRSA-N 1 2 371.529 2.854 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](CO)c2cc(F)ccc2F)c(C#N)c1C ZINC001460950173 1061163121 /nfs/dbraw/zinc/16/31/21/1061163121.db2.gz NBZYLGPVLAUZDG-QLJPJBMISA-N 1 2 363.364 2.697 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460978307 1061174788 /nfs/dbraw/zinc/17/47/88/1061174788.db2.gz UEFJNMLOJMQLLE-KHYOSLBOSA-N 1 2 352.475 2.731 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460978307 1061174791 /nfs/dbraw/zinc/17/47/91/1061174791.db2.gz UEFJNMLOJMQLLE-KHYOSLBOSA-N 1 2 352.475 2.731 20 30 FFEDLO CN(C)c1n[nH]c(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)n1 ZINC001461837693 1061424471 /nfs/dbraw/zinc/42/44/71/1061424471.db2.gz JFIADRGXOJKNFL-UHFFFAOYSA-N 1 2 362.437 2.611 20 30 FFEDLO C=CCCCC(=O)NC[C@]12CCC[C@H]1N(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001522056844 1061524788 /nfs/dbraw/zinc/52/47/88/1061524788.db2.gz NNRLWVOFGHWNQO-YLJYHZDGSA-N 1 2 358.486 2.586 20 30 FFEDLO C=CCCCC(=O)NC[C@]12CCC[C@H]1N(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001522056844 1061524804 /nfs/dbraw/zinc/52/48/04/1061524804.db2.gz NNRLWVOFGHWNQO-YLJYHZDGSA-N 1 2 358.486 2.586 20 30 FFEDLO C=CCCC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001522402993 1062123994 /nfs/dbraw/zinc/12/39/94/1062123994.db2.gz LNTACEKAFUOKAS-KKSFZXQISA-N 1 2 366.465 2.659 20 30 FFEDLO C=C1CCC(CNC(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)CC1 ZINC001479135179 1062242099 /nfs/dbraw/zinc/24/20/99/1062242099.db2.gz YOTZTKLRMZCMTG-UHFFFAOYSA-N 1 2 365.518 2.838 20 30 FFEDLO COCCn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)[C@@H](C)c1cccc(C#N)c1 ZINC001523617939 1062547602 /nfs/dbraw/zinc/54/76/02/1062547602.db2.gz ZBCSOKCMEVQAPL-YJBOKZPZSA-N 1 2 368.485 2.760 20 30 FFEDLO COCCn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)[C@@H](C)c1cccc(C#N)c1 ZINC001523617939 1062547618 /nfs/dbraw/zinc/54/76/18/1062547618.db2.gz ZBCSOKCMEVQAPL-YJBOKZPZSA-N 1 2 368.485 2.760 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1Cc2ccccc2C1 ZINC001524128490 1062731565 /nfs/dbraw/zinc/73/15/65/1062731565.db2.gz DOLQXMMBZZOYGR-UHFFFAOYSA-N 1 2 367.497 2.579 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2)[C@@H]1C ZINC001479701932 1062829253 /nfs/dbraw/zinc/82/92/53/1062829253.db2.gz RFBZBKWNYHEUFR-HFAKWTLXSA-N 1 2 368.250 2.827 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2)[C@@H]1C ZINC001479701932 1062829280 /nfs/dbraw/zinc/82/92/80/1062829280.db2.gz RFBZBKWNYHEUFR-HFAKWTLXSA-N 1 2 368.250 2.827 20 30 FFEDLO C[C@H]1CCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@H]1CCCO1 ZINC001525129487 1063163803 /nfs/dbraw/zinc/16/38/03/1063163803.db2.gz XDRQXMWPZOBYBL-FUHWJXTLSA-N 1 2 372.517 2.539 20 30 FFEDLO CSC1([C@H](C#N)N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC001533084291 1063241962 /nfs/dbraw/zinc/24/19/62/1063241962.db2.gz HAQIECQNNUQFKU-HNNXBMFYSA-N 1 2 371.422 2.640 20 30 FFEDLO N#Cc1ccc2c(c1)C[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)C2 ZINC001470418839 1064328852 /nfs/dbraw/zinc/32/88/52/1064328852.db2.gz KXUAPMVQGZPGNO-OAQYLSRUSA-N 1 2 371.444 2.770 20 30 FFEDLO CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC001471048428 1064537984 /nfs/dbraw/zinc/53/79/84/1064537984.db2.gz LMWNJMFONXSROL-QGZVFWFLSA-N 1 2 361.490 2.743 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CCC([C@H]2CCC[N@@H+]2CCc2cnn[nH]2)CC1 ZINC001575073824 1078102914 /nfs/dbraw/zinc/10/29/14/1078102914.db2.gz RRKXNFLLTOBQOJ-UYAOXDASSA-N 1 2 359.518 2.653 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CCC([C@H]2CCC[N@H+]2CCc2cnn[nH]2)CC1 ZINC001575073824 1078102918 /nfs/dbraw/zinc/10/29/18/1078102918.db2.gz RRKXNFLLTOBQOJ-UYAOXDASSA-N 1 2 359.518 2.653 20 30 FFEDLO C=CCC[C@H](C)[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H](C)SC)CC1 ZINC001575087349 1078104715 /nfs/dbraw/zinc/10/47/15/1078104715.db2.gz DPZZMIJSTXHOCD-LSDHHAIUSA-N 1 2 365.547 2.704 20 30 FFEDLO N#Cc1ccc([C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccc3O)CCO2)cc1 ZINC001472148325 1064953148 /nfs/dbraw/zinc/95/31/48/1064953148.db2.gz CPDZMNULMANMCI-FQEVSTJZSA-N 1 2 374.400 2.663 20 30 FFEDLO N#CC1(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)CCOCC1 ZINC001472404508 1065047857 /nfs/dbraw/zinc/04/78/57/1065047857.db2.gz YYBYFVZKDMPDBH-UHFFFAOYSA-N 1 2 372.856 2.564 20 30 FFEDLO Cc1cc(F)c(C#N)c(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC001472675552 1065125462 /nfs/dbraw/zinc/12/54/62/1065125462.db2.gz JKFYAXSFWTWHHQ-UHFFFAOYSA-N 1 2 367.428 2.552 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC(C)(C)C)s2)C1=O ZINC001474477257 1065531251 /nfs/dbraw/zinc/53/12/51/1065531251.db2.gz PDTRSKUYGOKOAJ-CQSZACIVSA-N 1 2 350.484 2.922 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC(C)(C)C)s2)C1=O ZINC001474477257 1065531270 /nfs/dbraw/zinc/53/12/70/1065531270.db2.gz PDTRSKUYGOKOAJ-CQSZACIVSA-N 1 2 350.484 2.922 20 30 FFEDLO C=CCCCC(=O)N[C@@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001581546507 1078977853 /nfs/dbraw/zinc/97/78/53/1078977853.db2.gz AEDQNBJYARFVCP-USXIJHARSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCCCC(=O)N[C@@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001581546507 1078977857 /nfs/dbraw/zinc/97/78/57/1078977857.db2.gz AEDQNBJYARFVCP-USXIJHARSA-N 1 2 358.486 2.613 20 30 FFEDLO N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC001584330999 1079341349 /nfs/dbraw/zinc/34/13/49/1079341349.db2.gz UBGJLMCBIRZUCJ-UHFFFAOYSA-N 1 2 368.418 2.664 20 30 FFEDLO COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 ZINC001555122648 1075645242 /nfs/dbraw/zinc/64/52/42/1075645242.db2.gz HQRAFDXRWWDAGF-LJQANCHMSA-N 1 2 372.448 2.761 20 30 FFEDLO N#Cc1ccc(SCC(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)cc1 ZINC001558211312 1075961727 /nfs/dbraw/zinc/96/17/27/1075961727.db2.gz CCHYQIWMNGKZCO-GOSISDBHSA-N 1 2 355.438 2.963 20 30 FFEDLO N#Cc1cccc(-c2nc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)n[nH]2)c1 ZINC001559045569 1076120739 /nfs/dbraw/zinc/12/07/39/1076120739.db2.gz RQPQMANLMTZFHQ-SFHVURJKSA-N 1 2 372.432 2.946 20 30 FFEDLO N#Cc1cccc(-c2nc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)n[nH]2)c1 ZINC001559045569 1076120741 /nfs/dbraw/zinc/12/07/41/1076120741.db2.gz RQPQMANLMTZFHQ-SFHVURJKSA-N 1 2 372.432 2.946 20 30 FFEDLO N#Cc1ncc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)nc1C#N ZINC001559054823 1076121318 /nfs/dbraw/zinc/12/13/18/1076121318.db2.gz KXDKSIWDRRTOHN-UHFFFAOYSA-N 1 2 372.354 2.561 20 30 FFEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001560184024 1076242947 /nfs/dbraw/zinc/24/29/47/1076242947.db2.gz CTEUVJXAYSTTKF-JKSUJKDBSA-N 1 2 350.846 2.652 20 30 FFEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001560184024 1076242951 /nfs/dbraw/zinc/24/29/51/1076242951.db2.gz CTEUVJXAYSTTKF-JKSUJKDBSA-N 1 2 350.846 2.652 20 30 FFEDLO N#Cc1c(F)cccc1C[NH2+]C[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1 ZINC001560993056 1076317123 /nfs/dbraw/zinc/31/71/23/1076317123.db2.gz XBUHETHSMDXPBW-INIZCTEOSA-N 1 2 351.381 2.915 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC001565828942 1076771393 /nfs/dbraw/zinc/77/13/93/1076771393.db2.gz UQSKAWXOXRGIRT-QHAWAJNXSA-N 1 2 354.494 2.589 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC001565828942 1076771397 /nfs/dbraw/zinc/77/13/97/1076771397.db2.gz UQSKAWXOXRGIRT-QHAWAJNXSA-N 1 2 354.494 2.589 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nnc(C)[nH]2)C[C@H]1c1ccccc1 ZINC001565881210 1076775763 /nfs/dbraw/zinc/77/57/63/1076775763.db2.gz QOKJQYKETSHWPH-FHLIZLRMSA-N 1 2 353.470 2.725 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nnc(C)[nH]2)C[C@H]1c1ccccc1 ZINC001565881210 1076775765 /nfs/dbraw/zinc/77/57/65/1076775765.db2.gz QOKJQYKETSHWPH-FHLIZLRMSA-N 1 2 353.470 2.725 20 30 FFEDLO CN(CCCn1cc[nH+]c1)C(=O)c1cccc(CNc2ncccc2C#N)c1 ZINC001566371736 1076952425 /nfs/dbraw/zinc/95/24/25/1076952425.db2.gz WTBHNLOCAKQYQA-UHFFFAOYSA-N 1 2 374.448 2.924 20 30 FFEDLO C[C@H](C[N@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@]12CCC[C@H]1OCC2 ZINC001569127968 1077130376 /nfs/dbraw/zinc/13/03/76/1077130376.db2.gz LEYGXJNSGRRYAD-DJKXOVBDSA-N 1 2 359.445 2.593 20 30 FFEDLO C[C@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@]12CCC[C@H]1OCC2 ZINC001569127968 1077130378 /nfs/dbraw/zinc/13/03/78/1077130378.db2.gz LEYGXJNSGRRYAD-DJKXOVBDSA-N 1 2 359.445 2.593 20 30 FFEDLO C=CC(C)(C)CC(=O)N(CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001572509618 1077330982 /nfs/dbraw/zinc/33/09/82/1077330982.db2.gz LYWBYSRCGTYDCU-HZPDHXFCSA-N 1 2 360.502 2.811 20 30 FFEDLO C=CC(C)(C)CC(=O)N(CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001572509618 1077330987 /nfs/dbraw/zinc/33/09/87/1077330987.db2.gz LYWBYSRCGTYDCU-HZPDHXFCSA-N 1 2 360.502 2.811 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001573185280 1077571875 /nfs/dbraw/zinc/57/18/75/1077571875.db2.gz YPVXVMUOHVDLQT-IXDOHACOSA-N 1 2 368.481 2.951 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001573497797 1077717427 /nfs/dbraw/zinc/71/74/27/1077717427.db2.gz LTOMCUKQXCVSJS-WBVHZDCISA-N 1 2 354.454 2.718 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001574508471 1078005228 /nfs/dbraw/zinc/00/52/28/1078005228.db2.gz BDZNCURGUGUUPQ-MLHJIOFPSA-N 1 2 358.486 2.514 20 30 FFEDLO C=CCCC(C)(C)CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001586902812 1079704119 /nfs/dbraw/zinc/70/41/19/1079704119.db2.gz GXKRCSXWZTWDLB-UHFFFAOYSA-N 1 2 372.513 2.619 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1[C@@H](C)CCC[C@@H]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588627580 1080127041 /nfs/dbraw/zinc/12/70/41/1080127041.db2.gz ADFGTYZRQRIUHK-HOTGVXAUSA-N 1 2 368.485 2.644 20 30 FFEDLO C=CC[N@H+](CC(=O)N1[C@@H](C)CCC[C@@H]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588627580 1080127047 /nfs/dbraw/zinc/12/70/47/1080127047.db2.gz ADFGTYZRQRIUHK-HOTGVXAUSA-N 1 2 368.485 2.644 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2C)CC1 ZINC001588837519 1080214092 /nfs/dbraw/zinc/21/40/92/1080214092.db2.gz WJWDNKXWVFKEIP-UHFFFAOYSA-N 1 2 365.525 2.979 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2C[C@@H]2C)CC1 ZINC001588848753 1080217007 /nfs/dbraw/zinc/21/70/07/1080217007.db2.gz NDSXZKJVHBIRQS-AZUAARDMSA-N 1 2 363.509 2.589 20 30 FFEDLO CCN(C(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1)C1CCCCC1 ZINC000052442415 249499434 /nfs/dbraw/zinc/49/94/34/249499434.db2.gz UCIBCFJQSANHSG-QGZVFWFLSA-N 1 2 369.513 2.645 20 30 FFEDLO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554898 250075949 /nfs/dbraw/zinc/07/59/49/250075949.db2.gz LPSHTPMRSJDPHJ-HKUYNNGSSA-N 1 2 354.498 2.860 20 30 FFEDLO C[C@H](C(=O)Nc1nccs1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104713440 250185161 /nfs/dbraw/zinc/18/51/61/250185161.db2.gz UEIWLRSFGZZMED-CYBMUJFWSA-N 1 2 356.451 2.885 20 30 FFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105301664 250207538 /nfs/dbraw/zinc/20/75/38/250207538.db2.gz QZWLWVVTZYIJIS-DLBZAZTESA-N 1 2 358.486 2.589 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000273153922 252233283 /nfs/dbraw/zinc/23/32/83/252233283.db2.gz ZNBXLACJGNMACX-CYBMUJFWSA-N 1 2 356.451 2.589 20 30 FFEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(c2ncc(Cl)c(C)c2C#N)CC1 ZINC000273388427 252294687 /nfs/dbraw/zinc/29/46/87/252294687.db2.gz UPDNYLJOUFNJPZ-UHFFFAOYSA-N 1 2 358.877 2.588 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3n[nH]c4c3CCCCC4)CC2)cc1 ZINC000276427931 256098841 /nfs/dbraw/zinc/09/88/41/256098841.db2.gz BLZSXYGTQWANDA-UHFFFAOYSA-N 1 2 363.465 2.508 20 30 FFEDLO CCOc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)ccc1[N+](=O)[O-] ZINC000276932868 256143822 /nfs/dbraw/zinc/14/38/22/256143822.db2.gz RBQBHEBSSFYWGH-UHFFFAOYSA-N 1 2 367.409 2.582 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278039291 256269584 /nfs/dbraw/zinc/26/95/84/256269584.db2.gz CETYBUOZOMXNJH-CQSZACIVSA-N 1 2 368.412 2.963 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1cc(C#N)ccc1Br ZINC000286176411 257024135 /nfs/dbraw/zinc/02/41/35/257024135.db2.gz WZRCJXOHZMJUBT-CJNGLKHVSA-N 1 2 364.287 2.616 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)C1=O ZINC000289770122 257298214 /nfs/dbraw/zinc/29/82/14/257298214.db2.gz ZTKPCRRBOBFUNT-JYJNAYRXSA-N 1 2 357.479 2.759 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)C1=O ZINC000289770122 257298215 /nfs/dbraw/zinc/29/82/15/257298215.db2.gz ZTKPCRRBOBFUNT-JYJNAYRXSA-N 1 2 357.479 2.759 20 30 FFEDLO CC(C)[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1[nH]cc[nH+]1 ZINC000295917134 257652249 /nfs/dbraw/zinc/65/22/49/257652249.db2.gz HSQAOWXZRJEUOJ-CYBMUJFWSA-N 1 2 372.372 2.976 20 30 FFEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000301280604 258039562 /nfs/dbraw/zinc/03/95/62/258039562.db2.gz TVWYCXBHDDTRNT-CQSZACIVSA-N 1 2 360.889 2.781 20 30 FFEDLO Cn1c(Cl)cnc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000299680260 258016481 /nfs/dbraw/zinc/01/64/81/258016481.db2.gz XBWZPUKULZHUAM-UHFFFAOYSA-N 1 2 357.845 2.796 20 30 FFEDLO Cc1cccc([C@H](CNc2nc3ccccn3c2C#N)[NH+]2CCOCC2)c1 ZINC000302099730 258087869 /nfs/dbraw/zinc/08/78/69/258087869.db2.gz PLJBKVYMCWPUFI-IBGZPJMESA-N 1 2 361.449 3.000 20 30 FFEDLO CCc1nnc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c(C#N)c1CC ZINC000301638761 258060535 /nfs/dbraw/zinc/06/05/35/258060535.db2.gz XULSWUCUPIYTKR-FQEVSTJZSA-N 1 2 365.481 2.958 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1F ZINC000331807327 258201319 /nfs/dbraw/zinc/20/13/19/258201319.db2.gz RWFIQSCGFVHCNL-QGZVFWFLSA-N 1 2 365.474 2.524 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1F ZINC000331807327 258201320 /nfs/dbraw/zinc/20/13/20/258201320.db2.gz RWFIQSCGFVHCNL-QGZVFWFLSA-N 1 2 365.474 2.524 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000110305029 132246517 /nfs/dbraw/zinc/24/65/17/132246517.db2.gz RBVJTXKIFNUFOI-GPMSIDNRSA-N 1 2 372.488 2.903 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[S@](=O)CC[C@H]2C)cc1OCCCC#N ZINC000373032948 512141252 /nfs/dbraw/zinc/14/12/52/512141252.db2.gz BGXSWUQRSORZGJ-OYLFLEFRSA-N 1 2 350.484 2.721 20 30 FFEDLO COc1ccc(C[N@H+]2CC[S@](=O)CC[C@H]2C)cc1OCCCC#N ZINC000373032948 512141256 /nfs/dbraw/zinc/14/12/56/512141256.db2.gz BGXSWUQRSORZGJ-OYLFLEFRSA-N 1 2 350.484 2.721 20 30 FFEDLO C[C@H](C(=O)Nc1nccs1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801337 506253383 /nfs/dbraw/zinc/25/33/83/506253383.db2.gz QOBLTCNVRLTGJT-CQSZACIVSA-N 1 2 355.467 2.554 20 30 FFEDLO C[C@H](C(=O)Nc1nccs1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801337 506253389 /nfs/dbraw/zinc/25/33/89/506253389.db2.gz QOBLTCNVRLTGJT-CQSZACIVSA-N 1 2 355.467 2.554 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)OC(C)(C)C2)cc1 ZINC000065424760 506297137 /nfs/dbraw/zinc/29/71/37/506297137.db2.gz RXGNOVHSADWMBE-INIZCTEOSA-N 1 2 359.470 2.831 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)OC(C)(C)C2)cc1 ZINC000065424760 506297146 /nfs/dbraw/zinc/29/71/46/506297146.db2.gz RXGNOVHSADWMBE-INIZCTEOSA-N 1 2 359.470 2.831 20 30 FFEDLO COC(=O)c1cc(C[N@H+](C)CC(=O)N(CCC#N)c2ccccc2)oc1C ZINC000053441672 506379978 /nfs/dbraw/zinc/37/99/78/506379978.db2.gz NKWKMJSRJYNBNU-UHFFFAOYSA-N 1 2 369.421 2.753 20 30 FFEDLO COC(=O)c1cc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)oc1C ZINC000053441672 506379980 /nfs/dbraw/zinc/37/99/80/506379980.db2.gz NKWKMJSRJYNBNU-UHFFFAOYSA-N 1 2 369.421 2.753 20 30 FFEDLO CCN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)c1ccc(C#N)cc1 ZINC000366866082 512225393 /nfs/dbraw/zinc/22/53/93/512225393.db2.gz MHNFKBJYIHJPBG-UHFFFAOYSA-N 1 2 351.454 2.557 20 30 FFEDLO COc1ncc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c(C)n1 ZINC000410337510 512241099 /nfs/dbraw/zinc/24/10/99/512241099.db2.gz JTBFOWNXTDXBMR-UHFFFAOYSA-N 1 2 374.448 2.536 20 30 FFEDLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000054390039 506549860 /nfs/dbraw/zinc/54/98/60/506549860.db2.gz TXDVCRPZCSLRGA-CQSZACIVSA-N 1 2 362.433 2.902 20 30 FFEDLO CC(=O)Nc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000054390039 506549868 /nfs/dbraw/zinc/54/98/68/506549868.db2.gz TXDVCRPZCSLRGA-CQSZACIVSA-N 1 2 362.433 2.902 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CC(=O)NC(C)(C)C)c1 ZINC000042506388 506633206 /nfs/dbraw/zinc/63/32/06/506633206.db2.gz ZTXAXUNTFGVPAO-KRWDZBQOSA-N 1 2 372.513 2.785 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CC(=O)NC(C)(C)C)c1 ZINC000042506388 506633211 /nfs/dbraw/zinc/63/32/11/506633211.db2.gz ZTXAXUNTFGVPAO-KRWDZBQOSA-N 1 2 372.513 2.785 20 30 FFEDLO N#Cc1ccccc1N1CCCN(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000043476975 506747425 /nfs/dbraw/zinc/74/74/25/506747425.db2.gz XUIFLOXBLAVPSH-UHFFFAOYSA-N 1 2 374.448 2.628 20 30 FFEDLO N#Cc1cccc(OCC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000045101819 506919291 /nfs/dbraw/zinc/91/92/91/506919291.db2.gz OCRVYIZDPBJKHE-UHFFFAOYSA-N 1 2 369.852 2.935 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)Nc3cccc(C#N)c3)c[nH+]2)C[C@H](C)O1 ZINC000045959708 507052181 /nfs/dbraw/zinc/05/21/81/507052181.db2.gz NJIUBNFNKARIME-GASCZTMLSA-N 1 2 365.437 2.889 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@@H+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000046086327 507075051 /nfs/dbraw/zinc/07/50/51/507075051.db2.gz NJXWQXJKZBDQOZ-UHFFFAOYSA-N 1 2 369.490 2.544 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@H+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000046086327 507075057 /nfs/dbraw/zinc/07/50/57/507075057.db2.gz NJXWQXJKZBDQOZ-UHFFFAOYSA-N 1 2 369.490 2.544 20 30 FFEDLO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000017843020 507130296 /nfs/dbraw/zinc/13/02/96/507130296.db2.gz XFZNKBSBPMFNNE-GOSISDBHSA-N 1 2 363.461 2.978 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046620421 507161292 /nfs/dbraw/zinc/16/12/92/507161292.db2.gz RNYRRMGHWDLBHU-OAHLLOKOSA-N 1 2 350.422 2.506 20 30 FFEDLO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367071641 512323867 /nfs/dbraw/zinc/32/38/67/512323867.db2.gz FTDSVKVAXOJHCX-FPOVZHCZSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367071641 512323870 /nfs/dbraw/zinc/32/38/70/512323870.db2.gz FTDSVKVAXOJHCX-FPOVZHCZSA-N 1 2 352.434 2.680 20 30 FFEDLO Cn1ncc2c1nc[nH+]c2SCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000021754249 507267034 /nfs/dbraw/zinc/26/70/34/507267034.db2.gz RGYHZFIQMLXQHK-UHFFFAOYSA-N 1 2 358.814 2.619 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023357640 507347840 /nfs/dbraw/zinc/34/78/40/507347840.db2.gz VBFPEYYTMRYEJF-INIZCTEOSA-N 1 2 366.440 2.842 20 30 FFEDLO CN1CC[NH+](C[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)c2ccccc2)CC1 ZINC000068910721 507359144 /nfs/dbraw/zinc/35/91/44/507359144.db2.gz JMGWSXPDWABQOO-FQEVSTJZSA-N 1 2 365.437 2.867 20 30 FFEDLO C[C@@H](Oc1ccccc1F)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000024478605 507414877 /nfs/dbraw/zinc/41/48/77/507414877.db2.gz OOKDMGMBDNUZDR-MRXNPFEDSA-N 1 2 367.424 2.809 20 30 FFEDLO N#Cc1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000024568860 507419539 /nfs/dbraw/zinc/41/95/39/507419539.db2.gz OYKDWQJJTMTACM-INIZCTEOSA-N 1 2 356.451 2.815 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000048159931 507466337 /nfs/dbraw/zinc/46/63/37/507466337.db2.gz VWLNGISNBODZGD-UHFFFAOYSA-N 1 2 363.421 2.614 20 30 FFEDLO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)c1ccccc1Cl ZINC000048912031 507578859 /nfs/dbraw/zinc/57/88/59/507578859.db2.gz BUZDRDWUKCHMCJ-QGZVFWFLSA-N 1 2 370.840 2.569 20 30 FFEDLO COc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)cc1OCCCC#N ZINC000375473450 512348857 /nfs/dbraw/zinc/34/88/57/512348857.db2.gz YXJPWFXUXYVNSW-QZTJIDSGSA-N 1 2 372.465 2.948 20 30 FFEDLO COc1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)cc1OCCCC#N ZINC000375473450 512348859 /nfs/dbraw/zinc/34/88/59/512348859.db2.gz YXJPWFXUXYVNSW-QZTJIDSGSA-N 1 2 372.465 2.948 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000061761378 507637028 /nfs/dbraw/zinc/63/70/28/507637028.db2.gz XJGJLRLFKMUEGL-UHFFFAOYSA-N 1 2 361.511 2.703 20 30 FFEDLO CC[N@@H+](CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)C[C@H](C)C#N ZINC000049982383 507648749 /nfs/dbraw/zinc/64/87/49/507648749.db2.gz JZLVJOGAZZBQEL-MRXNPFEDSA-N 1 2 371.481 2.825 20 30 FFEDLO CC[N@H+](CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)C[C@H](C)C#N ZINC000049982383 507648751 /nfs/dbraw/zinc/64/87/51/507648751.db2.gz JZLVJOGAZZBQEL-MRXNPFEDSA-N 1 2 371.481 2.825 20 30 FFEDLO CC[N@H+](CCCNS(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000071891139 507723876 /nfs/dbraw/zinc/72/38/76/507723876.db2.gz JTMCQVRNCAUZOX-UHFFFAOYSA-N 1 2 357.479 2.894 20 30 FFEDLO CC[N@@H+](CCCNS(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000071891139 507723880 /nfs/dbraw/zinc/72/38/80/507723880.db2.gz JTMCQVRNCAUZOX-UHFFFAOYSA-N 1 2 357.479 2.894 20 30 FFEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000063401854 507727907 /nfs/dbraw/zinc/72/79/07/507727907.db2.gz QWJBCIHQWLCEIE-UHFFFAOYSA-N 1 2 369.425 2.954 20 30 FFEDLO Cc1cccc(N2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000028749031 507740126 /nfs/dbraw/zinc/74/01/26/507740126.db2.gz JMZIEONANQJZRO-OAQYLSRUSA-N 1 2 360.461 2.794 20 30 FFEDLO C=CCn1c(C)nnc1SC[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051210959 507751221 /nfs/dbraw/zinc/75/12/21/507751221.db2.gz MRPCKDAKUFWPNE-HNNXBMFYSA-N 1 2 357.483 2.892 20 30 FFEDLO CC[N@H+](CCCNC(=O)C(=O)Nc1cc(C#N)ccc1C)c1ccccc1 ZINC000063823545 507773617 /nfs/dbraw/zinc/77/36/17/507773617.db2.gz RUONJAIAIZYFMD-UHFFFAOYSA-N 1 2 364.449 2.838 20 30 FFEDLO CC[N@@H+](CCCNC(=O)C(=O)Nc1cc(C#N)ccc1C)c1ccccc1 ZINC000063823545 507773620 /nfs/dbraw/zinc/77/36/20/507773620.db2.gz RUONJAIAIZYFMD-UHFFFAOYSA-N 1 2 364.449 2.838 20 30 FFEDLO CCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000029928685 507796341 /nfs/dbraw/zinc/79/63/41/507796341.db2.gz DJFVQLNFMAIIIG-AWEZNQCLSA-N 1 2 374.485 2.723 20 30 FFEDLO CCS(=O)(=O)N1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000052113121 507798120 /nfs/dbraw/zinc/79/81/20/507798120.db2.gz QDUCXUARVYEDBL-UHFFFAOYSA-N 1 2 369.490 2.693 20 30 FFEDLO Cc1ccc(C(=O)N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)cc1F ZINC000052129805 507798595 /nfs/dbraw/zinc/79/85/95/507798595.db2.gz HRTPDRWIAKQSPH-UHFFFAOYSA-N 1 2 367.424 2.843 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)o1 ZINC000030973744 507815568 /nfs/dbraw/zinc/81/55/68/507815568.db2.gz ZNELICXPDOVQJG-NHYWBVRUSA-N 1 2 356.264 2.917 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030973744 507815569 /nfs/dbraw/zinc/81/55/69/507815569.db2.gz ZNELICXPDOVQJG-NHYWBVRUSA-N 1 2 356.264 2.917 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000031313732 507818997 /nfs/dbraw/zinc/81/89/97/507818997.db2.gz CNULWSZEBJSHGV-OAHLLOKOSA-N 1 2 350.422 2.637 20 30 FFEDLO CCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078095644 507834449 /nfs/dbraw/zinc/83/44/49/507834449.db2.gz MOKYRRPQPHESCZ-FQEVSTJZSA-N 1 2 365.433 2.796 20 30 FFEDLO CCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078095644 507834452 /nfs/dbraw/zinc/83/44/52/507834452.db2.gz MOKYRRPQPHESCZ-FQEVSTJZSA-N 1 2 365.433 2.796 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC000107310964 507843529 /nfs/dbraw/zinc/84/35/29/507843529.db2.gz TUNDVXJLUBXLKI-UHFFFAOYSA-N 1 2 370.478 2.812 20 30 FFEDLO Cc1nc(CC(N)=[NH+]OCc2nc([C@@H](C)OCC(C)C)no2)cs1 ZINC000072920127 507873411 /nfs/dbraw/zinc/87/34/11/507873411.db2.gz BYNJIYVTPTYSGB-SNVBAGLBSA-N 1 2 353.448 2.600 20 30 FFEDLO CC(=O)c1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)Cc2csc(C)n2)cc1 ZINC000072920089 507873699 /nfs/dbraw/zinc/87/36/99/507873699.db2.gz GIMMYGBBMDXOJN-LLVKDONJSA-N 1 2 360.439 2.513 20 30 FFEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C3(C#N)CCOCC3)CC2)cc1 ZINC000109138473 507942161 /nfs/dbraw/zinc/94/21/61/507942161.db2.gz ZXMHJNWUSATBLF-UHFFFAOYSA-N 1 2 355.482 2.775 20 30 FFEDLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3ncccc3C#N)CC2)c1C ZINC000073647647 507942475 /nfs/dbraw/zinc/94/24/75/507942475.db2.gz GPWDJABCZWPYME-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO CCOC(=O)[C@H]1CCC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091072132 507949727 /nfs/dbraw/zinc/94/97/27/507949727.db2.gz TVBNLWYZXNUYOE-INIZCTEOSA-N 1 2 352.438 2.828 20 30 FFEDLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091072132 507949729 /nfs/dbraw/zinc/94/97/29/507949729.db2.gz TVBNLWYZXNUYOE-INIZCTEOSA-N 1 2 352.438 2.828 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)cc1 ZINC000091810852 508015008 /nfs/dbraw/zinc/01/50/08/508015008.db2.gz YCTYIMYSKZUSDV-UHFFFAOYSA-N 1 2 352.434 2.915 20 30 FFEDLO N#Cc1ccc2ncc(C[NH+]3CCN(c4cccc(F)c4C#N)CC3)n2c1 ZINC000091918120 508024210 /nfs/dbraw/zinc/02/42/10/508024210.db2.gz TXELFGSYZSFDKN-UHFFFAOYSA-N 1 2 360.396 2.539 20 30 FFEDLO N#Cc1ccc2[nH+]cc(CN3CCN(c4cccc(F)c4C#N)CC3)n2c1 ZINC000091918120 508024211 /nfs/dbraw/zinc/02/42/11/508024211.db2.gz TXELFGSYZSFDKN-UHFFFAOYSA-N 1 2 360.396 2.539 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)cc1Cl ZINC000110536310 508032774 /nfs/dbraw/zinc/03/27/74/508032774.db2.gz CGCCLIWAFCSDMT-UHFFFAOYSA-N 1 2 360.889 2.783 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OC)c(OCC(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092360958 508064088 /nfs/dbraw/zinc/06/40/88/508064088.db2.gz VTUINISHFVNODR-KRWDZBQOSA-N 1 2 367.511 2.905 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OC)c(OCC(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092360958 508064091 /nfs/dbraw/zinc/06/40/91/508064091.db2.gz VTUINISHFVNODR-KRWDZBQOSA-N 1 2 367.511 2.905 20 30 FFEDLO CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000111252721 508082497 /nfs/dbraw/zinc/08/24/97/508082497.db2.gz UGLSGXWUWIJXEJ-LJQANCHMSA-N 1 2 362.433 2.624 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000111252721 508082499 /nfs/dbraw/zinc/08/24/99/508082499.db2.gz UGLSGXWUWIJXEJ-LJQANCHMSA-N 1 2 362.433 2.624 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000075436876 508107581 /nfs/dbraw/zinc/10/75/81/508107581.db2.gz AUIXQJHQQJPITM-OAHLLOKOSA-N 1 2 367.428 2.681 20 30 FFEDLO C[C@@H](NC(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1)c1ccccc1 ZINC000080906135 508110189 /nfs/dbraw/zinc/11/01/89/508110189.db2.gz GXEWSFBOROWCMW-NQIIRXRSSA-N 1 2 362.477 2.746 20 30 FFEDLO C[C@H](NC(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1)c1ccccc1 ZINC000080906147 508110219 /nfs/dbraw/zinc/11/02/19/508110219.db2.gz GXEWSFBOROWCMW-GHTZIAJQSA-N 1 2 362.477 2.746 20 30 FFEDLO CC(C)[C@H](NC(=O)C[N@H+](CCC#N)CC1CC1)c1ccc2c(c1)OCCO2 ZINC000081043852 508129622 /nfs/dbraw/zinc/12/96/22/508129622.db2.gz CPNASKFNBSSKQF-NRFANRHFSA-N 1 2 371.481 2.897 20 30 FFEDLO CC(C)[C@H](NC(=O)C[N@@H+](CCC#N)CC1CC1)c1ccc2c(c1)OCCO2 ZINC000081043852 508129624 /nfs/dbraw/zinc/12/96/24/508129624.db2.gz CPNASKFNBSSKQF-NRFANRHFSA-N 1 2 371.481 2.897 20 30 FFEDLO C[C@@H](CCO)[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000093311143 508136920 /nfs/dbraw/zinc/13/69/20/508136920.db2.gz QUGUMYMOEIFRHD-KRWDZBQOSA-N 1 2 372.490 2.605 20 30 FFEDLO C[C@@H](CCO)[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000093311143 508136923 /nfs/dbraw/zinc/13/69/23/508136923.db2.gz QUGUMYMOEIFRHD-KRWDZBQOSA-N 1 2 372.490 2.605 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1sccc1Br ZINC000081158019 508142074 /nfs/dbraw/zinc/14/20/74/508142074.db2.gz YNVFPIQGDCLDCZ-UHFFFAOYSA-N 1 2 358.305 2.558 20 30 FFEDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081517294 508184569 /nfs/dbraw/zinc/18/45/69/508184569.db2.gz DKHFZKAOLNNVJS-IBGZPJMESA-N 1 2 357.479 2.898 20 30 FFEDLO Cn1cccc1[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081517294 508184573 /nfs/dbraw/zinc/18/45/73/508184573.db2.gz DKHFZKAOLNNVJS-IBGZPJMESA-N 1 2 357.479 2.898 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C[C@H]1COc2ccccc2O1 ZINC000097009836 508217814 /nfs/dbraw/zinc/21/78/14/508217814.db2.gz YKTLTQKNBGCUMQ-HNNXBMFYSA-N 1 2 369.421 2.869 20 30 FFEDLO CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C[C@H]1COc2ccccc2O1 ZINC000097009836 508217816 /nfs/dbraw/zinc/21/78/16/508217816.db2.gz YKTLTQKNBGCUMQ-HNNXBMFYSA-N 1 2 369.421 2.869 20 30 FFEDLO Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554516 508245392 /nfs/dbraw/zinc/24/53/92/508245392.db2.gz VCVZRSLPNMHAEE-GOSISDBHSA-N 1 2 362.477 2.694 20 30 FFEDLO COc1ccc(C#N)cc1C[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000156369656 508409169 /nfs/dbraw/zinc/40/91/69/508409169.db2.gz DIAVIFDGMOSXFT-UHFFFAOYSA-N 1 2 367.424 2.593 20 30 FFEDLO C=CCc1cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc(OC)c1OC ZINC000152348389 508429008 /nfs/dbraw/zinc/42/90/08/508429008.db2.gz RAKKLRXRLUMOAZ-KRWDZBQOSA-N 1 2 367.449 2.836 20 30 FFEDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000156638339 508454885 /nfs/dbraw/zinc/45/48/85/508454885.db2.gz XITZURSGBMFRFQ-HNNXBMFYSA-N 1 2 350.344 2.902 20 30 FFEDLO Cn1cnnc1[C@@H]1CCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000156638339 508454886 /nfs/dbraw/zinc/45/48/86/508454886.db2.gz XITZURSGBMFRFQ-HNNXBMFYSA-N 1 2 350.344 2.902 20 30 FFEDLO CCO[C@@H]1C[C@@H]([N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C12CCC2 ZINC000156858849 508487795 /nfs/dbraw/zinc/48/77/95/508487795.db2.gz MUPVRMFCWYEYQK-QZTJIDSGSA-N 1 2 362.495 2.611 20 30 FFEDLO CCO[C@@H]1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C12CCC2 ZINC000156858849 508487800 /nfs/dbraw/zinc/48/78/00/508487800.db2.gz MUPVRMFCWYEYQK-QZTJIDSGSA-N 1 2 362.495 2.611 20 30 FFEDLO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156933363 508498440 /nfs/dbraw/zinc/49/84/40/508498440.db2.gz MMIDRAKZDPIWCJ-FOIQADDNSA-N 1 2 370.474 2.656 20 30 FFEDLO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156933363 508498443 /nfs/dbraw/zinc/49/84/43/508498443.db2.gz MMIDRAKZDPIWCJ-FOIQADDNSA-N 1 2 370.474 2.656 20 30 FFEDLO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)[NH+]2CCOCC2)o1 ZINC000157599705 508586186 /nfs/dbraw/zinc/58/61/86/508586186.db2.gz NJOLCPNNHXULLE-KRWDZBQOSA-N 1 2 356.382 2.853 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000153632350 508613313 /nfs/dbraw/zinc/61/33/13/508613313.db2.gz FBZWCDQNIIDWRA-KRWDZBQOSA-N 1 2 372.469 2.674 20 30 FFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000158317173 508686959 /nfs/dbraw/zinc/68/69/59/508686959.db2.gz HEVSZMQZSOSLBH-HNNXBMFYSA-N 1 2 354.479 2.937 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136867829 508722312 /nfs/dbraw/zinc/72/23/12/508722312.db2.gz PMSGKILSHQHYFJ-VQTJNVASSA-N 1 2 366.421 2.511 20 30 FFEDLO N#Cc1ccc(OCC[N@H+]2CCOC[C@H]2CC(=O)c2ccccc2)cc1 ZINC000119368940 508782016 /nfs/dbraw/zinc/78/20/16/508782016.db2.gz SLEDFSNFMZFVDZ-LJQANCHMSA-N 1 2 350.418 2.911 20 30 FFEDLO N#Cc1ccc(OCC[N@@H+]2CCOC[C@H]2CC(=O)c2ccccc2)cc1 ZINC000119368940 508782019 /nfs/dbraw/zinc/78/20/19/508782019.db2.gz SLEDFSNFMZFVDZ-LJQANCHMSA-N 1 2 350.418 2.911 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)C1=O ZINC000375608792 512418984 /nfs/dbraw/zinc/41/89/84/512418984.db2.gz UBMCLKGWWUXSHT-MSOLQXFVSA-N 1 2 356.857 2.938 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)C1=O ZINC000375608792 512418987 /nfs/dbraw/zinc/41/89/87/512418987.db2.gz UBMCLKGWWUXSHT-MSOLQXFVSA-N 1 2 356.857 2.938 20 30 FFEDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000160056841 508931422 /nfs/dbraw/zinc/93/14/22/508931422.db2.gz PNJGNKCPANIOOQ-LBPRGKRZSA-N 1 2 365.524 2.501 20 30 FFEDLO C[C@H](c1ccc(C#N)cc1)n1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000369478600 512429184 /nfs/dbraw/zinc/42/91/84/512429184.db2.gz KRSQDRXPAWEEBK-UZLBHIALSA-N 1 2 374.448 2.728 20 30 FFEDLO C[C@H](c1ccc(C#N)cc1)n1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000369478600 512429187 /nfs/dbraw/zinc/42/91/87/512429187.db2.gz KRSQDRXPAWEEBK-UZLBHIALSA-N 1 2 374.448 2.728 20 30 FFEDLO C[C@@H]([NH2+][C@H](C)c1cn(-c2ccccc2)nn1)C(=O)NC1(C#N)CCCCC1 ZINC000151235533 508983619 /nfs/dbraw/zinc/98/36/19/508983619.db2.gz CPLCCDPKIULTFL-HZPDHXFCSA-N 1 2 366.469 2.649 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000125522510 508994211 /nfs/dbraw/zinc/99/42/11/508994211.db2.gz UQSYVXVKTQKTFJ-HNAYVOBHSA-N 1 2 368.485 2.652 20 30 FFEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N[C@H](c2ccccc2)C2CC2)cs1 ZINC000121048571 509118185 /nfs/dbraw/zinc/11/81/85/509118185.db2.gz ZRBFKZYIDOKFMU-GOSISDBHSA-N 1 2 358.467 2.550 20 30 FFEDLO N#Cc1cc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)ccc1Cl ZINC000121388144 509171354 /nfs/dbraw/zinc/17/13/54/509171354.db2.gz YIQJAZMKWSOILI-CQSZACIVSA-N 1 2 350.831 2.851 20 30 FFEDLO CCOC(=O)CC[C@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000162274161 509187842 /nfs/dbraw/zinc/18/78/42/509187842.db2.gz HMQUARQAAKVAAW-BEFAXECRSA-N 1 2 358.438 2.828 20 30 FFEDLO CCOC(=O)CC[C@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000162274161 509187849 /nfs/dbraw/zinc/18/78/49/509187849.db2.gz HMQUARQAAKVAAW-BEFAXECRSA-N 1 2 358.438 2.828 20 30 FFEDLO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cn(-c2ccccc2)nn1 ZINC000185474386 509195268 /nfs/dbraw/zinc/19/52/68/509195268.db2.gz NUFPEWNTJKBULD-KRWDZBQOSA-N 1 2 374.448 2.865 20 30 FFEDLO N#CCCCOc1cccnc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000188738214 509239909 /nfs/dbraw/zinc/23/99/09/509239909.db2.gz YLOSETJSFSNDKJ-UHFFFAOYSA-N 1 2 350.382 2.734 20 30 FFEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C2(C#N)CCOCC2)CC1 ZINC000172797866 509242052 /nfs/dbraw/zinc/24/20/52/509242052.db2.gz XETNNZOONTWEMB-HNNXBMFYSA-N 1 2 361.873 2.866 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000172814453 509252909 /nfs/dbraw/zinc/25/29/09/509252909.db2.gz CPHLHLYFSRQUHP-QGZVFWFLSA-N 1 2 363.465 2.661 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192086805 509339264 /nfs/dbraw/zinc/33/92/64/509339264.db2.gz JLBZQRTVTRMEJN-GOSISDBHSA-N 1 2 365.452 2.822 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)cc1F ZINC000192130987 509362025 /nfs/dbraw/zinc/36/20/25/509362025.db2.gz MTYQQDPUVNLBJS-UHFFFAOYSA-N 1 2 370.403 2.593 20 30 FFEDLO C[N@H+](CC#Cc1ccccc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000192145347 509370514 /nfs/dbraw/zinc/37/05/14/509370514.db2.gz XMTIPLHUUALKDN-QGZVFWFLSA-N 1 2 357.251 2.959 20 30 FFEDLO C[N@@H+](CC#Cc1ccccc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000192145347 509370522 /nfs/dbraw/zinc/37/05/22/509370522.db2.gz XMTIPLHUUALKDN-QGZVFWFLSA-N 1 2 357.251 2.959 20 30 FFEDLO C[N@H+](CCCOc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000176207862 509378355 /nfs/dbraw/zinc/37/83/55/509378355.db2.gz FYZFDKNUMQKKRC-UHFFFAOYSA-N 1 2 358.463 2.733 20 30 FFEDLO C[N@@H+](CCCOc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000176207862 509378360 /nfs/dbraw/zinc/37/83/60/509378360.db2.gz FYZFDKNUMQKKRC-UHFFFAOYSA-N 1 2 358.463 2.733 20 30 FFEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)NCCCCC#N)c2ccc(Cl)cc2)C1 ZINC000179478791 509466889 /nfs/dbraw/zinc/46/68/89/509466889.db2.gz YNFIPKTWAQYOFL-IAGOWNOFSA-N 1 2 364.877 2.705 20 30 FFEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)NCCCCC#N)c2ccc(Cl)cc2)C1 ZINC000179478791 509466892 /nfs/dbraw/zinc/46/68/92/509466892.db2.gz YNFIPKTWAQYOFL-IAGOWNOFSA-N 1 2 364.877 2.705 20 30 FFEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000186161408 509553882 /nfs/dbraw/zinc/55/38/82/509553882.db2.gz ROAVUQUAMAVLEN-UHFFFAOYSA-N 1 2 369.490 2.514 20 30 FFEDLO Cc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C ZINC000179759401 509608456 /nfs/dbraw/zinc/60/84/56/509608456.db2.gz JOTCXBSNPKQKQC-UHFFFAOYSA-N 1 2 369.490 2.682 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H](CO)O1 ZINC000249386650 509666132 /nfs/dbraw/zinc/66/61/32/509666132.db2.gz RFVPGTPJMKQLNH-IERDGZPVSA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H](CO)O1 ZINC000249386650 509666139 /nfs/dbraw/zinc/66/61/39/509666139.db2.gz RFVPGTPJMKQLNH-IERDGZPVSA-N 1 2 352.434 2.719 20 30 FFEDLO N#Cc1cc(Cl)ccc1CN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000186513293 509747523 /nfs/dbraw/zinc/74/75/23/509747523.db2.gz RMPOGTLMBWFRBC-UHFFFAOYSA-N 1 2 374.916 2.732 20 30 FFEDLO CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000180156405 509783497 /nfs/dbraw/zinc/78/34/97/509783497.db2.gz FUDKKXBAJYSBQJ-HNNXBMFYSA-N 1 2 374.510 2.604 20 30 FFEDLO CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000180156405 509783506 /nfs/dbraw/zinc/78/35/06/509783506.db2.gz FUDKKXBAJYSBQJ-HNNXBMFYSA-N 1 2 374.510 2.604 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)c(Cl)c1 ZINC000183538133 509848684 /nfs/dbraw/zinc/84/86/84/509848684.db2.gz ZSWWFKZQODMUTM-UHFFFAOYSA-N 1 2 372.837 2.876 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)c(O)c1)c1cccc(F)c1 ZINC000190007729 509880799 /nfs/dbraw/zinc/88/07/99/509880799.db2.gz ZSSHERWSJHJFNL-KRWDZBQOSA-N 1 2 350.353 2.656 20 30 FFEDLO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@H](C)C#N ZINC000183814826 509987826 /nfs/dbraw/zinc/98/78/26/509987826.db2.gz JVGHHJFFKYAFEE-GFCCVEGCSA-N 1 2 369.259 2.949 20 30 FFEDLO C[C@H](C#N)CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000177353109 510009044 /nfs/dbraw/zinc/00/90/44/510009044.db2.gz QYFLSFSTICOLMQ-DOMZBBRYSA-N 1 2 350.260 2.862 20 30 FFEDLO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000180622310 510018106 /nfs/dbraw/zinc/01/81/06/510018106.db2.gz RJAFKFKKDAOVPY-MRXNPFEDSA-N 1 2 352.442 2.549 20 30 FFEDLO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000180622310 510018109 /nfs/dbraw/zinc/01/81/09/510018109.db2.gz RJAFKFKKDAOVPY-MRXNPFEDSA-N 1 2 352.442 2.549 20 30 FFEDLO COc1cc(C(N)=[NH+]OCc2nc(C(C)(C)C)no2)cc(Cl)c1OC ZINC000265533470 510103999 /nfs/dbraw/zinc/10/39/99/510103999.db2.gz VASGAIGICYTNTM-UHFFFAOYSA-N 1 2 368.821 2.875 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)COc2ccccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000245729645 510111714 /nfs/dbraw/zinc/11/17/14/510111714.db2.gz YKIDRGSHSRQISI-YLJYHZDGSA-N 1 2 371.387 2.777 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)COc2ccccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000245729645 510111722 /nfs/dbraw/zinc/11/17/22/510111722.db2.gz YKIDRGSHSRQISI-YLJYHZDGSA-N 1 2 371.387 2.777 20 30 FFEDLO C=CCCCN(C)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000265603653 510135917 /nfs/dbraw/zinc/13/59/17/510135917.db2.gz MJKZZFOLXOHPOE-UHFFFAOYSA-N 1 2 361.486 2.505 20 30 FFEDLO Cc1cc([C@@H]2C[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)CCO2)ccc1F ZINC000245777439 510140401 /nfs/dbraw/zinc/14/04/01/510140401.db2.gz LQDONUSWSMKLSQ-NQIIRXRSSA-N 1 2 370.424 2.819 20 30 FFEDLO Cc1cc([C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)CCO2)ccc1F ZINC000245777439 510140408 /nfs/dbraw/zinc/14/04/08/510140408.db2.gz LQDONUSWSMKLSQ-NQIIRXRSSA-N 1 2 370.424 2.819 20 30 FFEDLO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc(C#N)c(O)c3)cc2)CC1 ZINC000190510917 510174875 /nfs/dbraw/zinc/17/48/75/510174875.db2.gz PQGYKYHJTCJEJT-UHFFFAOYSA-N 1 2 364.449 2.654 20 30 FFEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000177726399 510220137 /nfs/dbraw/zinc/22/01/37/510220137.db2.gz GKGJJEQLGFFYDO-PWECECGKSA-N 1 2 355.463 2.927 20 30 FFEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000177726399 510220144 /nfs/dbraw/zinc/22/01/44/510220144.db2.gz GKGJJEQLGFFYDO-PWECECGKSA-N 1 2 355.463 2.927 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000171625199 510259687 /nfs/dbraw/zinc/25/96/87/510259687.db2.gz RJZNRJMSJLWRTE-GOSISDBHSA-N 1 2 373.453 2.640 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000171625199 510259688 /nfs/dbraw/zinc/25/96/88/510259688.db2.gz RJZNRJMSJLWRTE-GOSISDBHSA-N 1 2 373.453 2.640 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000269276028 510320176 /nfs/dbraw/zinc/32/01/76/510320176.db2.gz OAFSRRCILOZYDY-AWEZNQCLSA-N 1 2 365.437 2.981 20 30 FFEDLO N#CCCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000181399343 510390216 /nfs/dbraw/zinc/39/02/16/510390216.db2.gz QJQLXDOBVIUATE-CABCVRRESA-N 1 2 357.351 2.966 20 30 FFEDLO N#CCCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000181399343 510390222 /nfs/dbraw/zinc/39/02/22/510390222.db2.gz QJQLXDOBVIUATE-CABCVRRESA-N 1 2 357.351 2.966 20 30 FFEDLO Cn1nccc1C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181437065 510407229 /nfs/dbraw/zinc/40/72/29/510407229.db2.gz YEOZAFICAKZDCM-QGZVFWFLSA-N 1 2 374.286 2.565 20 30 FFEDLO N#Cc1ccc(C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)c(F)c1 ZINC000171932407 510457572 /nfs/dbraw/zinc/45/75/72/510457572.db2.gz YPWHXFDDKBSUCK-UHFFFAOYSA-N 1 2 364.424 2.937 20 30 FFEDLO N#Cc1ccc(C[N@@H+](CCO)Cc2cnn(Cc3ccccc3)c2)c(F)c1 ZINC000171932407 510457577 /nfs/dbraw/zinc/45/75/77/510457577.db2.gz YPWHXFDDKBSUCK-UHFFFAOYSA-N 1 2 364.424 2.937 20 30 FFEDLO CC(C)(CNc1ccc(C(F)(F)F)cc1C#N)[NH+]1CCS(=O)CC1 ZINC000269614750 510484638 /nfs/dbraw/zinc/48/46/38/510484638.db2.gz ZMLLYLMTSHIEHA-UHFFFAOYSA-N 1 2 359.417 2.832 20 30 FFEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000191130977 510517345 /nfs/dbraw/zinc/51/73/45/510517345.db2.gz MBUNYQLATQPHQL-UHFFFAOYSA-N 1 2 356.348 2.655 20 30 FFEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000191130977 510517352 /nfs/dbraw/zinc/51/73/52/510517352.db2.gz MBUNYQLATQPHQL-UHFFFAOYSA-N 1 2 356.348 2.655 20 30 FFEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000191130977 510517354 /nfs/dbraw/zinc/51/73/54/510517354.db2.gz MBUNYQLATQPHQL-UHFFFAOYSA-N 1 2 356.348 2.655 20 30 FFEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000191130977 510517360 /nfs/dbraw/zinc/51/73/60/510517360.db2.gz MBUNYQLATQPHQL-UHFFFAOYSA-N 1 2 356.348 2.655 20 30 FFEDLO Cc1nc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)ccc1C#N ZINC000172052486 510518753 /nfs/dbraw/zinc/51/87/53/510518753.db2.gz VMXJGFGJASBCOE-UHFFFAOYSA-N 1 2 361.405 2.811 20 30 FFEDLO Cn1cc(C[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)cc1C#N ZINC000191304228 510595205 /nfs/dbraw/zinc/59/52/05/510595205.db2.gz ZFSLAMKJILRSPM-UHFFFAOYSA-N 1 2 371.242 2.734 20 30 FFEDLO Cn1cc(C[NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)cc1C#N ZINC000191304228 510595211 /nfs/dbraw/zinc/59/52/11/510595211.db2.gz ZFSLAMKJILRSPM-UHFFFAOYSA-N 1 2 371.242 2.734 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3ccc(F)cc3Cl)CC2)nc1 ZINC000184968380 510607463 /nfs/dbraw/zinc/60/74/63/510607463.db2.gz LSUGLQKKXDYMJZ-KRWDZBQOSA-N 1 2 360.820 2.601 20 30 FFEDLO N#CCOc1ccc(CC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000178446075 510608313 /nfs/dbraw/zinc/60/83/13/510608313.db2.gz FEDQBVPWFDJGRJ-UHFFFAOYSA-N 1 2 367.424 2.615 20 30 FFEDLO Cc1c(C#N)cccc1NC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000178548005 510656715 /nfs/dbraw/zinc/65/67/15/510656715.db2.gz KWKIAVJZJMUPAH-UHFFFAOYSA-N 1 2 374.448 2.864 20 30 FFEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)c1 ZINC000188272704 510680926 /nfs/dbraw/zinc/68/09/26/510680926.db2.gz DMFFMMJGKUUCHT-HNNXBMFYSA-N 1 2 365.433 2.791 20 30 FFEDLO COC[C@H](Cc1ccccc1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000191492624 510685953 /nfs/dbraw/zinc/68/59/53/510685953.db2.gz NEOIDCDPRSXWTK-IBGZPJMESA-N 1 2 372.490 2.521 20 30 FFEDLO COC[C@H](Cc1ccccc1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000191492624 510685957 /nfs/dbraw/zinc/68/59/57/510685957.db2.gz NEOIDCDPRSXWTK-IBGZPJMESA-N 1 2 372.490 2.521 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000266754219 510767954 /nfs/dbraw/zinc/76/79/54/510767954.db2.gz QYVIVXJOLBVGOA-WFASDCNBSA-N 1 2 373.400 2.628 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000266754219 510767959 /nfs/dbraw/zinc/76/79/59/510767959.db2.gz QYVIVXJOLBVGOA-WFASDCNBSA-N 1 2 373.400 2.628 20 30 FFEDLO Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c(C)c1 ZINC000329912198 510875845 /nfs/dbraw/zinc/87/58/45/510875845.db2.gz OEPGYVNYYKYBMW-WIYYLYMNSA-N 1 2 360.498 2.991 20 30 FFEDLO Cc1cc(C)c(CCNC(=O)C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c(C)c1 ZINC000329912198 510875849 /nfs/dbraw/zinc/87/58/49/510875849.db2.gz OEPGYVNYYKYBMW-WIYYLYMNSA-N 1 2 360.498 2.991 20 30 FFEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4nc(C5CC5)sc4c3)C[C@@H]21 ZINC000329924177 510879285 /nfs/dbraw/zinc/87/92/85/510879285.db2.gz IVTLSYDZWLHTPW-GJZGRUSLSA-N 1 2 358.467 2.734 20 30 FFEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4nc(C5CC5)sc4c3)C[C@@H]21 ZINC000329924177 510879288 /nfs/dbraw/zinc/87/92/88/510879288.db2.gz IVTLSYDZWLHTPW-GJZGRUSLSA-N 1 2 358.467 2.734 20 30 FFEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)Nc2nc(C3CC3)cs2)C1 ZINC000329936846 510881512 /nfs/dbraw/zinc/88/15/12/510881512.db2.gz LDUBWWQKWWIUCW-CQSZACIVSA-N 1 2 350.488 2.609 20 30 FFEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)Nc2nc(C3CC3)cs2)C1 ZINC000329936846 510881515 /nfs/dbraw/zinc/88/15/15/510881515.db2.gz LDUBWWQKWWIUCW-CQSZACIVSA-N 1 2 350.488 2.609 20 30 FFEDLO CCN1CCN(C(=O)NCCc2cc(C)cc(C)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329999186 510897139 /nfs/dbraw/zinc/89/71/39/510897139.db2.gz UHSFTBBXQACTGK-GOSISDBHSA-N 1 2 355.486 2.862 20 30 FFEDLO C[C@@H]1C[C@@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000282250672 510902110 /nfs/dbraw/zinc/90/21/10/510902110.db2.gz OOKHGESUWWAIRW-XEMDLRDOSA-N 1 2 370.497 2.589 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccnc(Cl)c3F)CC2)cc1 ZINC000270642691 510935658 /nfs/dbraw/zinc/93/56/58/510935658.db2.gz YRKVHVDJOFKZLC-UHFFFAOYSA-N 1 2 358.804 2.704 20 30 FFEDLO O=C(N[C@@H]1CCCCNC1=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000330333205 510967047 /nfs/dbraw/zinc/96/70/47/510967047.db2.gz POZAOZQZZUUVHP-MRXNPFEDSA-N 1 2 359.474 2.822 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(NC(=O)OC(C)(C)C)s2)C1=O ZINC000282473361 510992168 /nfs/dbraw/zinc/99/21/68/510992168.db2.gz LUYZEVXTMZDUIS-ZDUSSCGKSA-N 1 2 366.487 2.709 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(NC(=O)OC(C)(C)C)s2)C1=O ZINC000282473361 510992172 /nfs/dbraw/zinc/99/21/72/510992172.db2.gz LUYZEVXTMZDUIS-ZDUSSCGKSA-N 1 2 366.487 2.709 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)CCCC1(C)C ZINC000278406914 510992532 /nfs/dbraw/zinc/99/25/32/510992532.db2.gz XGIRKJGTRAZFIN-INIZCTEOSA-N 1 2 367.453 2.799 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1C ZINC000286532363 511026829 /nfs/dbraw/zinc/02/68/29/511026829.db2.gz NUOXUBZHDDLBLA-GOEBONIOSA-N 1 2 358.404 2.966 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1C ZINC000286532363 511026834 /nfs/dbraw/zinc/02/68/34/511026834.db2.gz NUOXUBZHDDLBLA-GOEBONIOSA-N 1 2 358.404 2.966 20 30 FFEDLO COc1ccc(S(C)(=O)=O)cc1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000330950022 511031383 /nfs/dbraw/zinc/03/13/83/511031383.db2.gz CVDZFQNEZMRQPU-UHFFFAOYSA-N 1 2 368.499 2.525 20 30 FFEDLO COc1ccc(S(C)(=O)=O)cc1C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000330950022 511031384 /nfs/dbraw/zinc/03/13/84/511031384.db2.gz CVDZFQNEZMRQPU-UHFFFAOYSA-N 1 2 368.499 2.525 20 30 FFEDLO C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000361326501 511033247 /nfs/dbraw/zinc/03/32/47/511033247.db2.gz WECHQDJDRYELLE-UHFFFAOYSA-N 1 2 363.396 2.751 20 30 FFEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H](C2CCCC2)C(F)(F)F)CC1 ZINC000331118293 511043258 /nfs/dbraw/zinc/04/32/58/511043258.db2.gz LMPSKVYDBZEPPD-GFCCVEGCSA-N 1 2 364.412 2.953 20 30 FFEDLO CC(C)(CNC(=O)c1ccc(Br)cc1O)[NH+]1CCOCC1 ZINC000331242488 511053969 /nfs/dbraw/zinc/05/39/69/511053969.db2.gz RDNUVLLJHQXMFL-UHFFFAOYSA-N 1 2 357.248 2.570 20 30 FFEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000331313128 511060100 /nfs/dbraw/zinc/06/01/00/511060100.db2.gz HSMXFWFNLFEGFP-FZMZJTMJSA-N 1 2 355.891 2.869 20 30 FFEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000331313128 511060105 /nfs/dbraw/zinc/06/01/05/511060105.db2.gz HSMXFWFNLFEGFP-FZMZJTMJSA-N 1 2 355.891 2.869 20 30 FFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CC(C)(C)CC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000331344952 511063070 /nfs/dbraw/zinc/06/30/70/511063070.db2.gz VBEJAIXHCIXBDD-HOTGVXAUSA-N 1 2 369.918 2.944 20 30 FFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CC(C)(C)CC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000331344952 511063074 /nfs/dbraw/zinc/06/30/74/511063074.db2.gz VBEJAIXHCIXBDD-HOTGVXAUSA-N 1 2 369.918 2.944 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCC1CCC(C#N)CC1 ZINC000331436482 511065824 /nfs/dbraw/zinc/06/58/24/511065824.db2.gz OBODUDBPQMNSNZ-UHFFFAOYSA-N 1 2 357.458 2.678 20 30 FFEDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000282712947 511083362 /nfs/dbraw/zinc/08/33/62/511083362.db2.gz KVIRWWUWCDONTA-HXUWFJFHSA-N 1 2 370.474 2.756 20 30 FFEDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000282712947 511083366 /nfs/dbraw/zinc/08/33/66/511083366.db2.gz KVIRWWUWCDONTA-HXUWFJFHSA-N 1 2 370.474 2.756 20 30 FFEDLO C=CCN(CC=C)[C@H](C[NH2+]Cc1ncc(C2OCCO2)s1)C(C)C ZINC000289294300 511096938 /nfs/dbraw/zinc/09/69/38/511096938.db2.gz QATOWKVQLRUXIW-OAHLLOKOSA-N 1 2 351.516 2.977 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(c2ccncn2)CC1 ZINC000297990795 511134071 /nfs/dbraw/zinc/13/40/71/511134071.db2.gz AJMPNDLVAQRFHV-UHFFFAOYSA-N 1 2 367.478 2.910 20 30 FFEDLO C=CCC(F)(F)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000294742078 511162889 /nfs/dbraw/zinc/16/28/89/511162889.db2.gz YIGRVXKIUJBEOW-UHFFFAOYSA-N 1 2 351.397 2.501 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)n1 ZINC000279792458 511215733 /nfs/dbraw/zinc/21/57/33/511215733.db2.gz VRYAQIBQTASBMU-JKSUJKDBSA-N 1 2 356.445 2.743 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)n1 ZINC000279792458 511215736 /nfs/dbraw/zinc/21/57/36/511215736.db2.gz VRYAQIBQTASBMU-JKSUJKDBSA-N 1 2 356.445 2.743 20 30 FFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CC(C)(C)CC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000295049194 511263859 /nfs/dbraw/zinc/26/38/59/511263859.db2.gz AYAXSZSLULRIFS-HOTGVXAUSA-N 1 2 371.453 2.569 20 30 FFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CC(C)(C)CC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000295049194 511263861 /nfs/dbraw/zinc/26/38/61/511263861.db2.gz AYAXSZSLULRIFS-HOTGVXAUSA-N 1 2 371.453 2.569 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1)c1cccc(Cl)c1 ZINC000291676896 511293420 /nfs/dbraw/zinc/29/34/20/511293420.db2.gz GSDQHKPVTWNTQE-CYBMUJFWSA-N 1 2 371.815 2.536 20 30 FFEDLO N#CCCN(C(=O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1)c1cccc(Cl)c1 ZINC000291676896 511293426 /nfs/dbraw/zinc/29/34/26/511293426.db2.gz GSDQHKPVTWNTQE-CYBMUJFWSA-N 1 2 371.815 2.536 20 30 FFEDLO COc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[C@@H](CC#N)C3)CC2)cc1F ZINC000298485077 511300919 /nfs/dbraw/zinc/30/09/19/511300919.db2.gz QCLQGTDHJVGVCJ-RDJZCZTQSA-N 1 2 374.460 2.744 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000283296657 511312979 /nfs/dbraw/zinc/31/29/79/511312979.db2.gz CUGOQIMXROQCRR-UHFFFAOYSA-N 1 2 368.481 2.588 20 30 FFEDLO C[C@H]1OCC[C@@]12C[N@H+](CC(=O)c1cn(CCC#N)c3ccccc13)CCO2 ZINC000280351042 511431883 /nfs/dbraw/zinc/43/18/83/511431883.db2.gz IHGLIRNATTZODR-IIBYNOLFSA-N 1 2 367.449 2.617 20 30 FFEDLO C[C@H]1OCC[C@@]12C[N@@H+](CC(=O)c1cn(CCC#N)c3ccccc13)CCO2 ZINC000280351042 511431886 /nfs/dbraw/zinc/43/18/86/511431886.db2.gz IHGLIRNATTZODR-IIBYNOLFSA-N 1 2 367.449 2.617 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3noc(-c4ccsc4)n3)C2)nc1 ZINC000292127120 511475339 /nfs/dbraw/zinc/47/53/39/511475339.db2.gz ILJFAIDZAHPDPA-AWEZNQCLSA-N 1 2 353.407 2.718 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3noc(-c4ccsc4)n3)C2)nc1 ZINC000292127120 511475344 /nfs/dbraw/zinc/47/53/44/511475344.db2.gz ILJFAIDZAHPDPA-AWEZNQCLSA-N 1 2 353.407 2.718 20 30 FFEDLO C=CCOC[C@@H]1NC(=O)N(c2cccc(-c3[nH+]ccn3CCCC)c2)C1=O ZINC000348644791 511495456 /nfs/dbraw/zinc/49/54/56/511495456.db2.gz CKILXRXKYNIAIE-KRWDZBQOSA-N 1 2 368.437 2.978 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000363515323 511599900 /nfs/dbraw/zinc/59/99/00/511599900.db2.gz FQNPFBDCWPUHMN-KRWDZBQOSA-N 1 2 358.438 2.961 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000363515323 511599904 /nfs/dbraw/zinc/59/99/04/511599904.db2.gz FQNPFBDCWPUHMN-KRWDZBQOSA-N 1 2 358.438 2.961 20 30 FFEDLO C=CCN1CC[C@H](Sc2nnc([C@H](CC)[NH+](C)C)n2CCCC)C1=O ZINC000281047100 511700100 /nfs/dbraw/zinc/70/01/00/511700100.db2.gz RZHLEPUQDREBLS-GJZGRUSLSA-N 1 2 365.547 2.970 20 30 FFEDLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366177411 511882565 /nfs/dbraw/zinc/88/25/65/511882565.db2.gz JQLSURXXQZIDTQ-AWEZNQCLSA-N 1 2 363.425 2.506 20 30 FFEDLO CC[C@@H]1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C[C@H]1O ZINC000328878359 511944048 /nfs/dbraw/zinc/94/40/48/511944048.db2.gz JCIRPPDUVADHHM-UMVBOHGHSA-N 1 2 352.504 2.623 20 30 FFEDLO CC[C@@H]1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C[C@H]1O ZINC000328878359 511944055 /nfs/dbraw/zinc/94/40/55/511944055.db2.gz JCIRPPDUVADHHM-UMVBOHGHSA-N 1 2 352.504 2.623 20 30 FFEDLO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)[C@H]1CCNC1=O ZINC000328892343 511946480 /nfs/dbraw/zinc/94/64/80/511946480.db2.gz UDLRVPFUEALOSV-ODSJRVHRSA-N 1 2 362.474 2.875 20 30 FFEDLO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)[C@H]1CCNC1=O ZINC000328892343 511946486 /nfs/dbraw/zinc/94/64/86/511946486.db2.gz UDLRVPFUEALOSV-ODSJRVHRSA-N 1 2 362.474 2.875 20 30 FFEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Nc2scnc2C2CC2)CC1 ZINC000328908025 511949110 /nfs/dbraw/zinc/94/91/10/511949110.db2.gz COEMPGVWHDBWNL-UHFFFAOYSA-N 1 2 374.514 2.734 20 30 FFEDLO CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000328945968 511955111 /nfs/dbraw/zinc/95/51/11/511955111.db2.gz MEVMEOOMIUNXPQ-JFIYKMOQSA-N 1 2 364.490 2.609 20 30 FFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000274897595 511980824 /nfs/dbraw/zinc/98/08/24/511980824.db2.gz TVEHFQWVMVQOCP-UHFFFAOYSA-N 1 2 350.831 2.503 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(Cl)c(F)cc1Cl ZINC000293550716 512006256 /nfs/dbraw/zinc/00/62/56/512006256.db2.gz ZAOSGMLKGXFBFD-UHFFFAOYSA-N 1 2 374.243 2.821 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)Nc1sccc1C#N ZINC000293628331 512031893 /nfs/dbraw/zinc/03/18/93/512031893.db2.gz GHXNLSJJLFSGEI-CYBMUJFWSA-N 1 2 357.439 2.528 20 30 FFEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC3CCC(C)(C)CC3)ccn2)CC1 ZINC000329464506 512051729 /nfs/dbraw/zinc/05/17/29/512051729.db2.gz UQKDSKDPSWANLS-UHFFFAOYSA-N 1 2 373.501 2.764 20 30 FFEDLO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329597217 512074751 /nfs/dbraw/zinc/07/47/51/512074751.db2.gz CLQDWLLGQSTTPG-OAHLLOKOSA-N 1 2 353.426 2.506 20 30 FFEDLO CC(C)(C(=O)NCCc1cn2ccccc2[nH+]1)c1cc(F)cc(C#N)c1 ZINC000285343923 512083176 /nfs/dbraw/zinc/08/31/76/512083176.db2.gz GXNPZWXFFRCKCL-UHFFFAOYSA-N 1 2 350.397 2.982 20 30 FFEDLO COc1ccccc1N1CC[C@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000329790053 512097598 /nfs/dbraw/zinc/09/75/98/512097598.db2.gz CNYQKJHABCKYFI-INIZCTEOSA-N 1 2 369.469 2.791 20 30 FFEDLO COc1ccccc1N1CC[C@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000329790053 512097602 /nfs/dbraw/zinc/09/76/02/512097602.db2.gz CNYQKJHABCKYFI-INIZCTEOSA-N 1 2 369.469 2.791 20 30 FFEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329809649 512100109 /nfs/dbraw/zinc/10/01/09/512100109.db2.gz QFMGPEFJZZPJIS-OIISXLGYSA-N 1 2 359.470 2.547 20 30 FFEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329809649 512100115 /nfs/dbraw/zinc/10/01/15/512100115.db2.gz QFMGPEFJZZPJIS-OIISXLGYSA-N 1 2 359.470 2.547 20 30 FFEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000364365887 512101815 /nfs/dbraw/zinc/10/18/15/512101815.db2.gz TUWFCZFDFUCQMG-UHFFFAOYSA-N 1 2 370.840 2.749 20 30 FFEDLO C[C@]1(CNC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CCOC1 ZINC000329892656 512105744 /nfs/dbraw/zinc/10/57/44/512105744.db2.gz AJPYQDUVFMGRRF-GRDNDAEWSA-N 1 2 355.479 2.591 20 30 FFEDLO C[C@]1(CNC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CCOC1 ZINC000329892656 512105746 /nfs/dbraw/zinc/10/57/46/512105746.db2.gz AJPYQDUVFMGRRF-GRDNDAEWSA-N 1 2 355.479 2.591 20 30 FFEDLO N#Cc1ccc(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1Br ZINC000377843663 512478966 /nfs/dbraw/zinc/47/89/66/512478966.db2.gz QPRZIYPZEMTOJP-LLVKDONJSA-N 1 2 360.215 2.723 20 30 FFEDLO N#Cc1ccc(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1Br ZINC000377843663 512478969 /nfs/dbraw/zinc/47/89/69/512478969.db2.gz QPRZIYPZEMTOJP-LLVKDONJSA-N 1 2 360.215 2.723 20 30 FFEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000411191880 512513512 /nfs/dbraw/zinc/51/35/12/512513512.db2.gz KRFQSXIZPQJZHK-INIZCTEOSA-N 1 2 351.454 2.924 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000411191880 512513515 /nfs/dbraw/zinc/51/35/15/512513515.db2.gz KRFQSXIZPQJZHK-INIZCTEOSA-N 1 2 351.454 2.924 20 30 FFEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000411191881 512513786 /nfs/dbraw/zinc/51/37/86/512513786.db2.gz KRFQSXIZPQJZHK-MRXNPFEDSA-N 1 2 351.454 2.924 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000411191881 512513789 /nfs/dbraw/zinc/51/37/89/512513789.db2.gz KRFQSXIZPQJZHK-MRXNPFEDSA-N 1 2 351.454 2.924 20 30 FFEDLO CC(C)Cn1ncnc1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000367587953 512571935 /nfs/dbraw/zinc/57/19/35/512571935.db2.gz USHOFPVIEUQLNL-UHFFFAOYSA-N 1 2 357.433 2.988 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378070193 512574576 /nfs/dbraw/zinc/57/45/76/512574576.db2.gz DBIRIJIWRFIPBA-UHFFFAOYSA-N 1 2 368.437 2.855 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378070193 512574579 /nfs/dbraw/zinc/57/45/79/512574579.db2.gz DBIRIJIWRFIPBA-UHFFFAOYSA-N 1 2 368.437 2.855 20 30 FFEDLO COc1cc[nH+]cc1CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000367806113 512670183 /nfs/dbraw/zinc/67/01/83/512670183.db2.gz YWUQNHBGLONLRS-UHFFFAOYSA-N 1 2 368.412 2.634 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374290266 512749286 /nfs/dbraw/zinc/74/92/86/512749286.db2.gz AJTJTMJBTNEOOQ-QGZVFWFLSA-N 1 2 365.481 2.670 20 30 FFEDLO Cc1[nH+]c2ccc(C(=O)N3CCC(C#N)(c4ccccn4)CC3)cc2n1C ZINC000374455611 512840681 /nfs/dbraw/zinc/84/06/81/512840681.db2.gz BNCIWFHYILNTCD-UHFFFAOYSA-N 1 2 359.433 2.974 20 30 FFEDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000372384700 512844154 /nfs/dbraw/zinc/84/41/54/512844154.db2.gz FTNQFDZBCNOEDJ-UHFFFAOYSA-N 1 2 364.858 2.565 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1)OCC ZINC000372536995 512926844 /nfs/dbraw/zinc/92/68/44/512926844.db2.gz APYYJZLIDLWNNS-IRXDYDNUSA-N 1 2 364.490 2.562 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1)OCC ZINC000372536995 512926848 /nfs/dbraw/zinc/92/68/48/512926848.db2.gz APYYJZLIDLWNNS-IRXDYDNUSA-N 1 2 364.490 2.562 20 30 FFEDLO C=CCC[C@H](O)C[N@H+]1CCOC[C@H]1c1c(C)nn(CC(F)(F)F)c1C ZINC000368434803 512947939 /nfs/dbraw/zinc/94/79/39/512947939.db2.gz QGGSWUGEDSWONJ-GJZGRUSLSA-N 1 2 361.408 2.763 20 30 FFEDLO C=CCC[C@H](O)C[N@@H+]1CCOC[C@H]1c1c(C)nn(CC(F)(F)F)c1C ZINC000368434803 512947943 /nfs/dbraw/zinc/94/79/43/512947943.db2.gz QGGSWUGEDSWONJ-GJZGRUSLSA-N 1 2 361.408 2.763 20 30 FFEDLO C=CCNc1ncc(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3[C@@H](C)CO)s1 ZINC000412402743 513065834 /nfs/dbraw/zinc/06/58/34/513065834.db2.gz OCYFCDRHNHXLLQ-NSHDSACASA-N 1 2 371.466 2.627 20 30 FFEDLO CCN(CC)c1ccc(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)c[nH+]1 ZINC000409461843 513109025 /nfs/dbraw/zinc/10/90/25/513109025.db2.gz AMYVDNDWNJIWFP-UHFFFAOYSA-N 1 2 374.448 2.915 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)n1cnc(C#N)n1 ZINC000409487217 513112592 /nfs/dbraw/zinc/11/25/92/513112592.db2.gz QFWGFUWKVHUZRT-CYBMUJFWSA-N 1 2 361.409 2.549 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cc1 ZINC000446071195 513177400 /nfs/dbraw/zinc/17/74/00/513177400.db2.gz IMTMZHJZYNDHRP-YESZJQIVSA-N 1 2 359.470 2.830 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cc1 ZINC000446071195 513177404 /nfs/dbraw/zinc/17/74/04/513177404.db2.gz IMTMZHJZYNDHRP-YESZJQIVSA-N 1 2 359.470 2.830 20 30 FFEDLO COC(=O)[C@H](c1ccccc1C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428778025 513188938 /nfs/dbraw/zinc/18/89/38/513188938.db2.gz HXMXNWMYMRMMIX-APWZRJJASA-N 1 2 351.406 2.629 20 30 FFEDLO COC(=O)[C@H](c1ccccc1C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428778025 513188942 /nfs/dbraw/zinc/18/89/42/513188942.db2.gz HXMXNWMYMRMMIX-APWZRJJASA-N 1 2 351.406 2.629 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000428932215 513225697 /nfs/dbraw/zinc/22/56/97/513225697.db2.gz JEGDCTCANGGURQ-HNNXBMFYSA-N 1 2 358.360 2.987 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000428932215 513225701 /nfs/dbraw/zinc/22/57/01/513225701.db2.gz JEGDCTCANGGURQ-HNNXBMFYSA-N 1 2 358.360 2.987 20 30 FFEDLO C=CCCn1cc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)nn1 ZINC000424733111 513258729 /nfs/dbraw/zinc/25/87/29/513258729.db2.gz IAXFDJXYERXKEY-GOSISDBHSA-N 1 2 364.453 2.839 20 30 FFEDLO COC1CCC(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000429301057 513333436 /nfs/dbraw/zinc/33/34/36/513333436.db2.gz KHZVDGYISOEIIE-UHFFFAOYSA-N 1 2 370.497 2.591 20 30 FFEDLO N#CC1CCC(CNC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000441003596 513457966 /nfs/dbraw/zinc/45/79/66/513457966.db2.gz OCPCNORNSYOFIE-AFMYVXGZSA-N 1 2 370.497 2.689 20 30 FFEDLO Cc1cc(NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c(C#N)c[nH+]1 ZINC000425263424 513481040 /nfs/dbraw/zinc/48/10/40/513481040.db2.gz UKLJMGFXUYUMKF-UHFFFAOYSA-N 1 2 369.368 2.718 20 30 FFEDLO COCC1(C#N)CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425310844 513504888 /nfs/dbraw/zinc/50/48/88/513504888.db2.gz YROJGJHSDCGVKR-KRWDZBQOSA-N 1 2 352.438 2.710 20 30 FFEDLO CC(C)(C)N1CC[C@H]([NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1=O ZINC000425438072 513564761 /nfs/dbraw/zinc/56/47/61/513564761.db2.gz AAESUGGXCOYQMA-ZWKOTPCHSA-N 1 2 374.916 2.922 20 30 FFEDLO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451213940 513597762 /nfs/dbraw/zinc/59/77/62/513597762.db2.gz UMPSYTHWVLXJIR-DZGCQCFKSA-N 1 2 367.902 2.653 20 30 FFEDLO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451213940 513597764 /nfs/dbraw/zinc/59/77/64/513597764.db2.gz UMPSYTHWVLXJIR-DZGCQCFKSA-N 1 2 367.902 2.653 20 30 FFEDLO C=CCC1(C(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)CCCC1 ZINC000451218027 513601270 /nfs/dbraw/zinc/60/12/70/513601270.db2.gz RDLCONBVQHNRRT-UHFFFAOYSA-N 1 2 350.503 2.509 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000435604007 513633404 /nfs/dbraw/zinc/63/34/04/513633404.db2.gz BHLZJBRYTYWNRU-APWZRJJASA-N 1 2 361.442 2.820 20 30 FFEDLO COc1ccc([C@@H]([NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)c2ccco2)cc1 ZINC000419288973 513764864 /nfs/dbraw/zinc/76/48/64/513764864.db2.gz PVYYAONPRZBIBB-KBXCAEBGSA-N 1 2 353.422 2.918 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000413813610 513829118 /nfs/dbraw/zinc/82/91/18/513829118.db2.gz DESCMPJWARYULN-SFTDATJTSA-N 1 2 370.541 2.595 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443095606 513870556 /nfs/dbraw/zinc/87/05/56/513870556.db2.gz OTZZPPYAAHBIAY-UHFFFAOYSA-N 1 2 374.853 2.848 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1cc2ccccc2s1 ZINC000448835836 513921609 /nfs/dbraw/zinc/92/16/09/513921609.db2.gz MITHWZGRKQYDGR-UHFFFAOYSA-N 1 2 357.479 2.518 20 30 FFEDLO CCOC(=O)c1csc([C@H](C#N)C(=O)c2cccc(C[NH+](C)C)c2)n1 ZINC000436696639 513947926 /nfs/dbraw/zinc/94/79/26/513947926.db2.gz JVCVCRKXIQKYDJ-CQSZACIVSA-N 1 2 357.435 2.871 20 30 FFEDLO C=CCn1c(SC[C@@H](O)C[N@H+](C)CCC#N)nnc1-c1cccc(C)c1 ZINC000414090877 513972133 /nfs/dbraw/zinc/97/21/33/513972133.db2.gz CZBSDQCNMQSRRF-KRWDZBQOSA-N 1 2 371.510 2.738 20 30 FFEDLO C=CCn1c(SC[C@@H](O)C[N@@H+](C)CCC#N)nnc1-c1cccc(C)c1 ZINC000414090877 513972139 /nfs/dbraw/zinc/97/21/39/513972139.db2.gz CZBSDQCNMQSRRF-KRWDZBQOSA-N 1 2 371.510 2.738 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CSc1ncnc2sc3c(c21)CCCC3 ZINC000414093256 513972630 /nfs/dbraw/zinc/97/26/30/513972630.db2.gz HABYZKBOWNPUFG-LBPRGKRZSA-N 1 2 362.524 2.869 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1ncnc2sc3c(c21)CCCC3 ZINC000414093256 513972637 /nfs/dbraw/zinc/97/26/37/513972637.db2.gz HABYZKBOWNPUFG-LBPRGKRZSA-N 1 2 362.524 2.869 20 30 FFEDLO C=CCC[C@@H]1NC(=O)N([C@@H](CC)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000419940903 513974980 /nfs/dbraw/zinc/97/49/80/513974980.db2.gz VOMAAKXFORMENA-FHWLQOOXSA-N 1 2 371.481 2.553 20 30 FFEDLO C=CCC[C@@H]1NC(=O)N([C@@H](CC)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000419940903 513974984 /nfs/dbraw/zinc/97/49/84/513974984.db2.gz VOMAAKXFORMENA-FHWLQOOXSA-N 1 2 371.481 2.553 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cc(F)c(Br)cc1Cl ZINC000414125520 513982071 /nfs/dbraw/zinc/98/20/71/513982071.db2.gz MWXMUKVLXJRMNF-SECBINFHSA-N 1 2 365.630 2.827 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cc(F)c(Br)cc1Cl ZINC000414125520 513982076 /nfs/dbraw/zinc/98/20/76/513982076.db2.gz MWXMUKVLXJRMNF-SECBINFHSA-N 1 2 365.630 2.827 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccccc1OCc1cccc(F)c1 ZINC000414140402 513985995 /nfs/dbraw/zinc/98/59/95/513985995.db2.gz GWCGCNPKBGCHBC-SFHVURJKSA-N 1 2 358.413 2.990 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccccc1OCc1cccc(F)c1 ZINC000414140402 513986004 /nfs/dbraw/zinc/98/60/04/513986004.db2.gz GWCGCNPKBGCHBC-SFHVURJKSA-N 1 2 358.413 2.990 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000426844239 514056040 /nfs/dbraw/zinc/05/60/40/514056040.db2.gz YCPHQIWOSPZQCS-HNNXBMFYSA-N 1 2 351.441 2.900 20 30 FFEDLO Cc1cc(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)ccc1C#N ZINC000443912330 514070060 /nfs/dbraw/zinc/07/00/60/514070060.db2.gz ADNPDTAZDIFURM-UHFFFAOYSA-N 1 2 352.419 2.531 20 30 FFEDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000452004563 514127403 /nfs/dbraw/zinc/12/74/03/514127403.db2.gz BLPMQPJRZYKERY-AWEZNQCLSA-N 1 2 365.275 2.556 20 30 FFEDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000452004563 514127404 /nfs/dbraw/zinc/12/74/04/514127404.db2.gz BLPMQPJRZYKERY-AWEZNQCLSA-N 1 2 365.275 2.556 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000437645898 514202478 /nfs/dbraw/zinc/20/24/78/514202478.db2.gz LTAJSEICGIHYAK-ICSRJNTNSA-N 1 2 368.481 2.754 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000438070262 514298519 /nfs/dbraw/zinc/29/85/19/514298519.db2.gz HFURJIBQIHVJJT-HKUYNNGSSA-N 1 2 361.461 2.634 20 30 FFEDLO C[NH+](C)Cc1nc(C2(NC(=O)c3ccc(C#N)o3)CCCCCC2)no1 ZINC000432882627 514312095 /nfs/dbraw/zinc/31/20/95/514312095.db2.gz BKTUUAGAVWRJEI-UHFFFAOYSA-N 1 2 357.414 2.575 20 30 FFEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(C#N)[nH]c1C ZINC000449994215 514457564 /nfs/dbraw/zinc/45/75/64/514457564.db2.gz GOPQVCZVXNYAGV-UHFFFAOYSA-N 1 2 351.454 2.969 20 30 FFEDLO N#Cc1csc(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)c1 ZINC000439003448 514481512 /nfs/dbraw/zinc/48/15/12/514481512.db2.gz SDHQFNWOQUEFEM-UHFFFAOYSA-N 1 2 353.407 2.585 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000439443241 514552425 /nfs/dbraw/zinc/55/24/25/514552425.db2.gz ALWMFRODWOKNSQ-ICSRJNTNSA-N 1 2 364.449 2.652 20 30 FFEDLO COCC1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000455553272 514588092 /nfs/dbraw/zinc/58/80/92/514588092.db2.gz ZPHHDJNNZMFJDV-UHFFFAOYSA-N 1 2 370.497 2.592 20 30 FFEDLO N#Cc1cc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1F ZINC000488981690 514659832 /nfs/dbraw/zinc/65/98/32/514659832.db2.gz XBFVCVAKUZTMQA-UHFFFAOYSA-N 1 2 374.372 2.501 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1C#N ZINC000508104686 514669325 /nfs/dbraw/zinc/66/93/25/514669325.db2.gz KWXJDVVJHQVWAC-UHFFFAOYSA-N 1 2 350.488 2.572 20 30 FFEDLO C[C@@H](NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000455787698 514738510 /nfs/dbraw/zinc/73/85/10/514738510.db2.gz FTTXFDWGGDKDEJ-CABCVRRESA-N 1 2 374.485 2.966 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc2ccnn2C)c1 ZINC000471078817 514745707 /nfs/dbraw/zinc/74/57/07/514745707.db2.gz LXBROLNQFYXPET-KRWDZBQOSA-N 1 2 353.470 2.804 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc2ccnn2C)c1 ZINC000471078817 514745719 /nfs/dbraw/zinc/74/57/19/514745719.db2.gz LXBROLNQFYXPET-KRWDZBQOSA-N 1 2 353.470 2.804 20 30 FFEDLO C=CC[N@@H+](Cc1nnc(C)n1CCC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000489322632 514797156 /nfs/dbraw/zinc/79/71/56/514797156.db2.gz DHUQORXFCJXCRF-OAHLLOKOSA-N 1 2 366.473 2.721 20 30 FFEDLO C=CC[N@H+](Cc1nnc(C)n1CCC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000489322632 514797164 /nfs/dbraw/zinc/79/71/64/514797164.db2.gz DHUQORXFCJXCRF-OAHLLOKOSA-N 1 2 366.473 2.721 20 30 FFEDLO COc1ccc([C@H](NC(=O)N[C@@H]2CCC[C@H]2C#N)c2[nH+]ccn2C)cc1 ZINC000461970353 514812507 /nfs/dbraw/zinc/81/25/07/514812507.db2.gz YOWPMFFWTGMJBF-UAGQMJEPSA-N 1 2 353.426 2.510 20 30 FFEDLO N#C[C@@H]1C[N@@H+](Cc2cccc(O)c2Cl)C[C@@]12C(=O)Nc1ccccc12 ZINC000509093704 515019837 /nfs/dbraw/zinc/01/98/37/515019837.db2.gz JGAWXXPVVBCPDY-BFUOFWGJSA-N 1 2 353.809 2.891 20 30 FFEDLO N#C[C@@H]1C[N@H+](Cc2cccc(O)c2Cl)C[C@@]12C(=O)Nc1ccccc12 ZINC000509093704 515019843 /nfs/dbraw/zinc/01/98/43/515019843.db2.gz JGAWXXPVVBCPDY-BFUOFWGJSA-N 1 2 353.809 2.891 20 30 FFEDLO C=CCCCCCSc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000485590582 515103684 /nfs/dbraw/zinc/10/36/84/515103684.db2.gz PRIBIUDTRJBSBO-UHFFFAOYSA-N 1 2 369.556 2.856 20 30 FFEDLO Cc1nc(SCC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c(C#N)c(C)c1C ZINC000456393785 515152193 /nfs/dbraw/zinc/15/21/93/515152193.db2.gz RPTATWYWDYOGCG-BMIGLBTASA-N 1 2 355.467 2.989 20 30 FFEDLO CC(C)(C)C(=O)N1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C(C)(C)C1 ZINC000499235356 515248935 /nfs/dbraw/zinc/24/89/35/515248935.db2.gz QLKQPROOQRCTML-UHFFFAOYSA-N 1 2 353.470 2.675 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)cc1C#N ZINC000476924080 515251386 /nfs/dbraw/zinc/25/13/86/515251386.db2.gz DCOIWKACVYQXKN-UHFFFAOYSA-N 1 2 372.450 2.573 20 30 FFEDLO C=CC(C)(C)CNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000454236388 515327496 /nfs/dbraw/zinc/32/74/96/515327496.db2.gz FCWCSGHIYBYXQC-UHFFFAOYSA-N 1 2 358.486 2.601 20 30 FFEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000504574865 515331042 /nfs/dbraw/zinc/33/10/42/515331042.db2.gz IGURFQCZQAQMPG-INIZCTEOSA-N 1 2 361.449 2.857 20 30 FFEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000504574865 515331049 /nfs/dbraw/zinc/33/10/49/515331049.db2.gz IGURFQCZQAQMPG-INIZCTEOSA-N 1 2 361.449 2.857 20 30 FFEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000491281251 515406630 /nfs/dbraw/zinc/40/66/30/515406630.db2.gz ABDHSTQCXGIUPT-UHFFFAOYSA-N 1 2 368.416 2.991 20 30 FFEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000491281251 515406638 /nfs/dbraw/zinc/40/66/38/515406638.db2.gz ABDHSTQCXGIUPT-UHFFFAOYSA-N 1 2 368.416 2.991 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2c3ccccc3oc2C(=O)OCC)C1=O ZINC000499993961 515549565 /nfs/dbraw/zinc/54/95/65/515549565.db2.gz DJQCONVMUKRRLZ-INIZCTEOSA-N 1 2 356.422 2.828 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2c3ccccc3oc2C(=O)OCC)C1=O ZINC000499993961 515549579 /nfs/dbraw/zinc/54/95/79/515549579.db2.gz DJQCONVMUKRRLZ-INIZCTEOSA-N 1 2 356.422 2.828 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)cc2)nc1 ZINC000492654418 515551745 /nfs/dbraw/zinc/55/17/45/515551745.db2.gz HHNOKMMWLOCAPT-HNNXBMFYSA-N 1 2 359.389 2.756 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)cc2)nc1 ZINC000492654418 515551753 /nfs/dbraw/zinc/55/17/53/515551753.db2.gz HHNOKMMWLOCAPT-HNNXBMFYSA-N 1 2 359.389 2.756 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](CC)c2ccc(Cl)cc2)C1=O ZINC000500023070 515562287 /nfs/dbraw/zinc/56/22/87/515562287.db2.gz FVMKFZMRLWJDND-IRXDYDNUSA-N 1 2 363.889 2.626 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](CC)c2ccc(Cl)cc2)C1=O ZINC000500023070 515562293 /nfs/dbraw/zinc/56/22/93/515562293.db2.gz FVMKFZMRLWJDND-IRXDYDNUSA-N 1 2 363.889 2.626 20 30 FFEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000468926592 515585281 /nfs/dbraw/zinc/58/52/81/515585281.db2.gz MDHLIUGDLHVHLE-IBGZPJMESA-N 1 2 373.497 2.531 20 30 FFEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000468926592 515585289 /nfs/dbraw/zinc/58/52/89/515585289.db2.gz MDHLIUGDLHVHLE-IBGZPJMESA-N 1 2 373.497 2.531 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(C#N)s3)c[nH+]2)C[C@@H](C)O1 ZINC000486764177 515622193 /nfs/dbraw/zinc/62/21/93/515622193.db2.gz RZDRZTSRFXJTHU-CHWSQXEVSA-N 1 2 356.451 2.558 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000510887758 515701897 /nfs/dbraw/zinc/70/18/97/515701897.db2.gz LVZVICAQFVPIQL-UHFFFAOYSA-N 1 2 358.417 2.660 20 30 FFEDLO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)c1 ZINC000510889326 515704072 /nfs/dbraw/zinc/70/40/72/515704072.db2.gz VUXSOSKCTHZOPI-OAHLLOKOSA-N 1 2 374.460 2.823 20 30 FFEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cccc2[nH]ccc21 ZINC000494018399 515713709 /nfs/dbraw/zinc/71/37/09/515713709.db2.gz PGNHMSUODWLTEJ-UHFFFAOYSA-N 1 2 353.447 2.945 20 30 FFEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cccc2[nH]ccc21 ZINC000494018399 515713717 /nfs/dbraw/zinc/71/37/17/515713717.db2.gz PGNHMSUODWLTEJ-UHFFFAOYSA-N 1 2 353.447 2.945 20 30 FFEDLO CN(C)c1ncc(C[N@H+](C)Cc2ccc(C#N)cc2Br)cn1 ZINC000506014316 515751400 /nfs/dbraw/zinc/75/14/00/515751400.db2.gz ZPHGPMAGKSTMPP-UHFFFAOYSA-N 1 2 360.259 2.809 20 30 FFEDLO CN(C)c1ncc(C[N@@H+](C)Cc2ccc(C#N)cc2Br)cn1 ZINC000506014316 515751404 /nfs/dbraw/zinc/75/14/04/515751404.db2.gz ZPHGPMAGKSTMPP-UHFFFAOYSA-N 1 2 360.259 2.809 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCC3CCOCC3)CC2)cc1 ZINC000455119500 515972175 /nfs/dbraw/zinc/97/21/75/515972175.db2.gz QXDGAVSAJFHMHD-UHFFFAOYSA-N 1 2 370.497 2.592 20 30 FFEDLO Cn1cc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)cc1C#N ZINC000483269107 516011709 /nfs/dbraw/zinc/01/17/09/516011709.db2.gz LTECSZMTBFSOFC-IBGZPJMESA-N 1 2 364.449 2.825 20 30 FFEDLO Cn1cc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)cc1C#N ZINC000483269107 516011715 /nfs/dbraw/zinc/01/17/15/516011715.db2.gz LTECSZMTBFSOFC-IBGZPJMESA-N 1 2 364.449 2.825 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000501191320 516012984 /nfs/dbraw/zinc/01/29/84/516012984.db2.gz HELLUBKNOCAFQW-SJORKVTESA-N 1 2 369.490 2.842 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000501191320 516012991 /nfs/dbraw/zinc/01/29/91/516012991.db2.gz HELLUBKNOCAFQW-SJORKVTESA-N 1 2 369.490 2.842 20 30 FFEDLO C=CCC[C@H](O)C[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000483356550 516046438 /nfs/dbraw/zinc/04/64/38/516046438.db2.gz OIHZBQPABLITOR-INIZCTEOSA-N 1 2 365.275 2.789 20 30 FFEDLO C=CCC[C@H](O)C[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000483356550 516046449 /nfs/dbraw/zinc/04/64/49/516046449.db2.gz OIHZBQPABLITOR-INIZCTEOSA-N 1 2 365.275 2.789 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000469984321 516059566 /nfs/dbraw/zinc/05/95/66/516059566.db2.gz SSFJCIGBAQYSIS-NRFANRHFSA-N 1 2 369.428 2.802 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)ncc1C#N ZINC000457694837 516075202 /nfs/dbraw/zinc/07/52/02/516075202.db2.gz RYRXJEJCXHQPNT-FUHWJXTLSA-N 1 2 356.376 2.715 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)ncc1C#N ZINC000457694837 516075211 /nfs/dbraw/zinc/07/52/11/516075211.db2.gz RYRXJEJCXHQPNT-FUHWJXTLSA-N 1 2 356.376 2.715 20 30 FFEDLO COc1ccc(C[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)cc1OCCCC#N ZINC000483430068 516087599 /nfs/dbraw/zinc/08/75/99/516087599.db2.gz UGKMFQDCJIZJNY-GJZGRUSLSA-N 1 2 350.484 2.719 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)[S@@]1=O ZINC000483445491 516092585 /nfs/dbraw/zinc/09/25/85/516092585.db2.gz WZFNPCFYQCOEMW-YEZXQBTPSA-N 1 2 356.495 2.805 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)[S@@]1=O ZINC000483445491 516092593 /nfs/dbraw/zinc/09/25/93/516092593.db2.gz WZFNPCFYQCOEMW-YEZXQBTPSA-N 1 2 356.495 2.805 20 30 FFEDLO COc1ccc([C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)c2[nH+]ccn2C)cc1 ZINC000455286244 516095628 /nfs/dbraw/zinc/09/56/28/516095628.db2.gz XLNTUHDJUHHNJA-QILLFSRXSA-N 1 2 367.453 2.900 20 30 FFEDLO C=C(C)CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000455312749 516113024 /nfs/dbraw/zinc/11/30/24/516113024.db2.gz PPPNXJALZQQOFN-QGZVFWFLSA-N 1 2 358.442 2.792 20 30 FFEDLO C=CCc1cc(C[NH+]2CCN(C(=O)N(CC)CC)CC2)cc(OC)c1O ZINC000507188443 516117892 /nfs/dbraw/zinc/11/78/92/516117892.db2.gz FOVMFHKKQVQKKW-UHFFFAOYSA-N 1 2 361.486 2.709 20 30 FFEDLO Cc1cc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)ccc1C#N ZINC000488242626 516172621 /nfs/dbraw/zinc/17/26/21/516172621.db2.gz IRCKKZUKVLIXMK-UHFFFAOYSA-N 1 2 364.405 2.733 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCCC3(F)F)CC2)cc1 ZINC000455406453 516182293 /nfs/dbraw/zinc/18/22/93/516182293.db2.gz ICKIQCXYLXHOFP-KRWDZBQOSA-N 1 2 362.424 2.821 20 30 FFEDLO C=CCC1(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCCCC1 ZINC000457946771 516247800 /nfs/dbraw/zinc/24/78/00/516247800.db2.gz NAMREGPWEHAWHW-IBGZPJMESA-N 1 2 367.559 2.773 20 30 FFEDLO C[C@@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000554245739 516341959 /nfs/dbraw/zinc/34/19/59/516341959.db2.gz PNJKNBDBQQUGAT-OAHLLOKOSA-N 1 2 366.446 2.843 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000528348423 516367383 /nfs/dbraw/zinc/36/73/83/516367383.db2.gz GYMGOQBERPXKBT-AZUAARDMSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000528348423 516367390 /nfs/dbraw/zinc/36/73/90/516367390.db2.gz GYMGOQBERPXKBT-AZUAARDMSA-N 1 2 356.397 2.511 20 30 FFEDLO Cc1csc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000512812637 516369736 /nfs/dbraw/zinc/36/97/36/516369736.db2.gz XDLSUCBVXBEAHE-UHFFFAOYSA-N 1 2 374.441 2.944 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+]([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528363243 516380083 /nfs/dbraw/zinc/38/00/83/516380083.db2.gz HOKWHQDBBSJQJG-HXUWFJFHSA-N 1 2 352.482 2.614 20 30 FFEDLO Cc1ccccc1[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000528395046 516406875 /nfs/dbraw/zinc/40/68/75/516406875.db2.gz ZTQSAGSFLGNBTB-RXVVDRJESA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000528395046 516406887 /nfs/dbraw/zinc/40/68/87/516406887.db2.gz ZTQSAGSFLGNBTB-RXVVDRJESA-N 1 2 352.434 2.680 20 30 FFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC000528423103 516427387 /nfs/dbraw/zinc/42/73/87/516427387.db2.gz GIHVEFHCZDIHCZ-HOCLYGCPSA-N 1 2 352.381 2.716 20 30 FFEDLO N#CC1(C[C@H](O)C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC000528423103 516427395 /nfs/dbraw/zinc/42/73/95/516427395.db2.gz GIHVEFHCZDIHCZ-HOCLYGCPSA-N 1 2 352.381 2.716 20 30 FFEDLO COC(=O)c1c2c(sc1NC(=O)C[NH+]1CCC(CC#N)CC1)CCC2 ZINC000543807764 516436901 /nfs/dbraw/zinc/43/69/01/516436901.db2.gz QURMDQXTHPBGMZ-UHFFFAOYSA-N 1 2 361.467 2.588 20 30 FFEDLO N#Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1O ZINC000554579465 516521805 /nfs/dbraw/zinc/52/18/05/516521805.db2.gz PAQDINWALUHXHL-MRXNPFEDSA-N 1 2 350.422 2.816 20 30 FFEDLO COC(=O)c1cccc(C[NH2+][C@@H](c2ccccc2)[C@H](C)C(=O)OC)c1C#N ZINC000535963071 516571967 /nfs/dbraw/zinc/57/19/67/516571967.db2.gz IKEUMZNMJPQNQR-IFXJQAMLSA-N 1 2 366.417 2.985 20 30 FFEDLO C=CCCCNC(=O)C(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000554727748 516608243 /nfs/dbraw/zinc/60/82/43/516608243.db2.gz AOGBCPJLWRSDDB-OAHLLOKOSA-N 1 2 363.889 2.628 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000561590627 516669081 /nfs/dbraw/zinc/66/90/81/516669081.db2.gz HARAFIZJVWBQLQ-QGZVFWFLSA-N 1 2 373.478 2.965 20 30 FFEDLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@H](c2ccco2)C1 ZINC000561780025 516769891 /nfs/dbraw/zinc/76/98/91/516769891.db2.gz YEMHNDPWCJXOQX-HOCLYGCPSA-N 1 2 359.451 2.793 20 30 FFEDLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@H](c2ccco2)C1 ZINC000561780025 516769897 /nfs/dbraw/zinc/76/98/97/516769897.db2.gz YEMHNDPWCJXOQX-HOCLYGCPSA-N 1 2 359.451 2.793 20 30 FFEDLO Cc1ccc(-c2noc([C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)n2)cc1F ZINC000544508511 516788609 /nfs/dbraw/zinc/78/86/09/516788609.db2.gz AOASCWQYDBAELL-QWHCGFSZSA-N 1 2 359.405 2.595 20 30 FFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCC#Cc1cccc(F)c1)C2 ZINC000555210123 516831039 /nfs/dbraw/zinc/83/10/39/516831039.db2.gz XNGXZYRTYPKZTA-UHFFFAOYSA-N 1 2 354.429 2.802 20 30 FFEDLO CCc1ccccc1O[C@H](C)C(=O)N1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000555364835 516901321 /nfs/dbraw/zinc/90/13/21/516901321.db2.gz YONCULFACCNUPW-ZIFCJYIRSA-N 1 2 355.482 2.853 20 30 FFEDLO Cc1cc(Br)cn2cc(CNC(=O)c3cnccc3C#N)[nH+]c12 ZINC000514235058 516918072 /nfs/dbraw/zinc/91/80/72/516918072.db2.gz WNEFLGWMSRXWSQ-UHFFFAOYSA-N 1 2 370.210 2.602 20 30 FFEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000525120290 516923426 /nfs/dbraw/zinc/92/34/26/516923426.db2.gz KHTOIJXNTAYHCY-OAQYLSRUSA-N 1 2 350.437 2.935 20 30 FFEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000525120290 516923436 /nfs/dbraw/zinc/92/34/36/516923436.db2.gz KHTOIJXNTAYHCY-OAQYLSRUSA-N 1 2 350.437 2.935 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000562205855 516957684 /nfs/dbraw/zinc/95/76/84/516957684.db2.gz LCRSHASRFADYLG-UHFFFAOYSA-N 1 2 354.410 2.708 20 30 FFEDLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000544878380 516970988 /nfs/dbraw/zinc/97/09/88/516970988.db2.gz GNWMYUJNFRIOHF-OAHLLOKOSA-N 1 2 367.428 2.550 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000525422906 517038501 /nfs/dbraw/zinc/03/85/01/517038501.db2.gz DTOILAIOKIOOBN-UHFFFAOYSA-N 1 2 373.460 2.969 20 30 FFEDLO CCN(C(=O)[C@H](C)[NH+]1CCN(c2cnccc2C#N)CC1)C1CCCCC1 ZINC000562361546 517054234 /nfs/dbraw/zinc/05/42/34/517054234.db2.gz IXYVXMBADGIUGS-KRWDZBQOSA-N 1 2 369.513 2.645 20 30 FFEDLO Cc1cc(C[NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)ccc1C#N ZINC000519695722 517131110 /nfs/dbraw/zinc/13/11/10/517131110.db2.gz WGAUPIILUPAUKB-QFIPXVFZSA-N 1 2 374.488 2.790 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000562478093 517134401 /nfs/dbraw/zinc/13/44/01/517134401.db2.gz IDXGDPISYKHSHF-UHFFFAOYSA-N 1 2 353.447 2.516 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000562478093 517134405 /nfs/dbraw/zinc/13/44/05/517134405.db2.gz IDXGDPISYKHSHF-UHFFFAOYSA-N 1 2 353.447 2.516 20 30 FFEDLO C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000562477658 517134473 /nfs/dbraw/zinc/13/44/73/517134473.db2.gz MWBQCYZBXVOSKD-LIRRHRJNSA-N 1 2 360.889 2.659 20 30 FFEDLO C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000562477658 517134480 /nfs/dbraw/zinc/13/44/80/517134480.db2.gz MWBQCYZBXVOSKD-LIRRHRJNSA-N 1 2 360.889 2.659 20 30 FFEDLO N#Cc1ccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000519783493 517180816 /nfs/dbraw/zinc/18/08/16/517180816.db2.gz FFFVJDXHDPKOJF-LBPRGKRZSA-N 1 2 360.215 2.654 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN([C@@H]3CCc4ccccc4NC3=O)CC2)cc1 ZINC000519797347 517186004 /nfs/dbraw/zinc/18/60/04/517186004.db2.gz CCGOHUYOOPVLAK-OAQYLSRUSA-N 1 2 360.461 2.629 20 30 FFEDLO N#Cc1ccc(CN2CC[NH+]([C@@H]3CCc4ccccc4NC3=O)CC2)cc1 ZINC000519797347 517186012 /nfs/dbraw/zinc/18/60/12/517186012.db2.gz CCGOHUYOOPVLAK-OAQYLSRUSA-N 1 2 360.461 2.629 20 30 FFEDLO N#Cc1cccnc1N1CCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000525833109 517189691 /nfs/dbraw/zinc/18/96/91/517189691.db2.gz QXBCAAYDWVOINM-UHFFFAOYSA-N 1 2 358.449 2.520 20 30 FFEDLO CCOc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)c(F)cc1OC ZINC000529518207 517192593 /nfs/dbraw/zinc/19/25/93/517192593.db2.gz BBHYDBQAEWQIJU-UHFFFAOYSA-N 1 2 370.428 2.822 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1C#N ZINC000515127070 517221279 /nfs/dbraw/zinc/22/12/79/517221279.db2.gz VQXIAJSHSNFFBJ-TZIWHRDSSA-N 1 2 368.408 2.645 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1C#N ZINC000515127070 517221288 /nfs/dbraw/zinc/22/12/88/517221288.db2.gz VQXIAJSHSNFFBJ-TZIWHRDSSA-N 1 2 368.408 2.645 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000532970144 517228239 /nfs/dbraw/zinc/22/82/39/517228239.db2.gz WDEFDSOXFXVTRJ-WFASDCNBSA-N 1 2 355.360 2.929 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000532970144 517228243 /nfs/dbraw/zinc/22/82/43/517228243.db2.gz WDEFDSOXFXVTRJ-WFASDCNBSA-N 1 2 355.360 2.929 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Br)cc1 ZINC000533089681 517288074 /nfs/dbraw/zinc/28/80/74/517288074.db2.gz BYDHQTODMLHNBZ-IUODEOHRSA-N 1 2 359.227 2.589 20 30 FFEDLO Cc1oncc1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000556212886 517319500 /nfs/dbraw/zinc/31/95/00/517319500.db2.gz OHBCJKMPGPQFIO-GJZGRUSLSA-N 1 2 359.361 2.787 20 30 FFEDLO Cc1oncc1C[N@H+]1C[C@@H](F)C[C@H]1CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000556212886 517319507 /nfs/dbraw/zinc/31/95/07/517319507.db2.gz OHBCJKMPGPQFIO-GJZGRUSLSA-N 1 2 359.361 2.787 20 30 FFEDLO N#Cc1ccc(CN2CCC[C@H]2C[NH+]2CCOCC2)c(C(F)(F)F)c1 ZINC000520297023 517336291 /nfs/dbraw/zinc/33/62/91/517336291.db2.gz GQORAFSEMKCPIM-INIZCTEOSA-N 1 2 353.388 2.874 20 30 FFEDLO Cc1cc(NCCNC(=O)c2cc(C#N)ccc2Cl)nc(C(C)C)[nH+]1 ZINC000529844270 517395075 /nfs/dbraw/zinc/39/50/75/517395075.db2.gz DPDOBYOXFHJBJA-UHFFFAOYSA-N 1 2 357.845 2.697 20 30 FFEDLO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1C#N ZINC000552880081 517424396 /nfs/dbraw/zinc/42/43/96/517424396.db2.gz QKTBUJLTQMGPNQ-LLVKDONJSA-N 1 2 353.451 2.563 20 30 FFEDLO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1C#N ZINC000552880081 517424402 /nfs/dbraw/zinc/42/44/02/517424402.db2.gz QKTBUJLTQMGPNQ-LLVKDONJSA-N 1 2 353.451 2.563 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1nc2ccccc2cc1Cl ZINC000520669374 517475114 /nfs/dbraw/zinc/47/51/14/517475114.db2.gz QTGNIPHMXPHVJA-UHFFFAOYSA-N 1 2 372.856 2.576 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(OC(F)(F)F)cc1 ZINC000533548560 517519429 /nfs/dbraw/zinc/51/94/29/517519429.db2.gz WMHITMOCCQNJKF-IUODEOHRSA-N 1 2 364.327 2.725 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000516050088 517547837 /nfs/dbraw/zinc/54/78/37/517547837.db2.gz MDLDFPCDWOWIFU-YWZLYKJASA-N 1 2 365.477 2.934 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000516050088 517547843 /nfs/dbraw/zinc/54/78/43/517547843.db2.gz MDLDFPCDWOWIFU-YWZLYKJASA-N 1 2 365.477 2.934 20 30 FFEDLO N#Cc1cccc(COc2cccc(C[NH2+]Cc3cc(C(N)=O)no3)c2)c1 ZINC000542691616 517688778 /nfs/dbraw/zinc/68/87/78/517688778.db2.gz YNXZVVBEWAPYCV-UHFFFAOYSA-N 1 2 362.389 2.514 20 30 FFEDLO N#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1cccc(C(F)(F)F)c1 ZINC000521352670 517701320 /nfs/dbraw/zinc/70/13/20/517701320.db2.gz GMNDFSSOQDBVTN-CQSZACIVSA-N 1 2 372.310 2.676 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000542931140 517821842 /nfs/dbraw/zinc/82/18/42/517821842.db2.gz ISFIUTVZDDPIQH-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000546809325 517866634 /nfs/dbraw/zinc/86/66/34/517866634.db2.gz IMEVWXYPGSFXTP-IUCAKERBSA-N 1 2 361.496 2.946 20 30 FFEDLO C[N@H+](CCN1CCOC(C)(C)C1)Cc1ccc(Br)cc1C#N ZINC000553913827 517968424 /nfs/dbraw/zinc/96/84/24/517968424.db2.gz RQHWSYHCEIIFKB-UHFFFAOYSA-N 1 2 366.303 2.863 20 30 FFEDLO C[N@@H+](CCN1CCOC(C)(C)C1)Cc1ccc(Br)cc1C#N ZINC000553913827 517968434 /nfs/dbraw/zinc/96/84/34/517968434.db2.gz RQHWSYHCEIIFKB-UHFFFAOYSA-N 1 2 366.303 2.863 20 30 FFEDLO COc1cc(OC)cc([C@@H](Nc2cc(C)nc(C#N)c2)c2[nH+]ccn2C)c1 ZINC000557485524 518029897 /nfs/dbraw/zinc/02/98/97/518029897.db2.gz SUCBANJADYKFDE-LJQANCHMSA-N 1 2 363.421 2.636 20 30 FFEDLO Cc1ccc(-c2noc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C3CC3)n2)cc1F ZINC000543542377 518131372 /nfs/dbraw/zinc/13/13/72/518131372.db2.gz JPTUIMYAEXBGML-BUXKBTBVSA-N 1 2 371.416 2.643 20 30 FFEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000539809708 518165129 /nfs/dbraw/zinc/16/51/29/518165129.db2.gz SNLFSKBWRXBIQT-YWZLYKJASA-N 1 2 365.481 2.963 20 30 FFEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000539809708 518165133 /nfs/dbraw/zinc/16/51/33/518165133.db2.gz SNLFSKBWRXBIQT-YWZLYKJASA-N 1 2 365.481 2.963 20 30 FFEDLO Cc1ccc(-c2noc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)n2)cc1 ZINC000569651213 518219015 /nfs/dbraw/zinc/21/90/15/518219015.db2.gz BLTWYIKEIRKQMY-QGZVFWFLSA-N 1 2 361.405 2.965 20 30 FFEDLO Cc1ccc(-c2noc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)n2)cc1 ZINC000569651213 518219024 /nfs/dbraw/zinc/21/90/24/518219024.db2.gz BLTWYIKEIRKQMY-QGZVFWFLSA-N 1 2 361.405 2.965 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cc(Cl)c(F)cc2Cl)c1C#N ZINC000566836719 518223640 /nfs/dbraw/zinc/22/36/40/518223640.db2.gz AUTCWJWNMIPDEP-UHFFFAOYSA-N 1 2 370.215 2.553 20 30 FFEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2ccc(C3CCC3)cc2)c1=O ZINC000578523371 518251381 /nfs/dbraw/zinc/25/13/81/518251381.db2.gz ACAKRRGDWOLLLS-UHFFFAOYSA-N 1 2 363.461 2.868 20 30 FFEDLO Cc1cc(Br)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1Cl ZINC000584472802 518357945 /nfs/dbraw/zinc/35/79/45/518357945.db2.gz GFZGKACAGDJQKE-CQSZACIVSA-N 1 2 358.667 2.985 20 30 FFEDLO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1noc(-c2ccccc2)n1 ZINC000569969162 518381592 /nfs/dbraw/zinc/38/15/92/518381592.db2.gz TXFVSWTVKZTZEI-YOEHRIQHSA-N 1 2 364.405 2.699 20 30 FFEDLO Cc1nsc(N2CCN(c3nc(C)[nH+]c4c3CCCC4)CC2)c1C#N ZINC000572928229 518423118 /nfs/dbraw/zinc/42/31/18/518423118.db2.gz PCJQTXOTASSUCC-UHFFFAOYSA-N 1 2 354.483 2.627 20 30 FFEDLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)c1C ZINC000570113863 518446308 /nfs/dbraw/zinc/44/63/08/518446308.db2.gz ALZZBGZNMJHPAW-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC000576183069 518468246 /nfs/dbraw/zinc/46/82/46/518468246.db2.gz RTVKMLVUMDANMN-DNVCBOLYSA-N 1 2 362.905 2.905 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC000576183069 518468252 /nfs/dbraw/zinc/46/82/52/518468252.db2.gz RTVKMLVUMDANMN-DNVCBOLYSA-N 1 2 362.905 2.905 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3cc4c(cc3Cl)OCCO4)CC2)n1 ZINC000579056409 518497671 /nfs/dbraw/zinc/49/76/71/518497671.db2.gz PTFNUCMTPPGOOB-UHFFFAOYSA-N 1 2 370.840 2.700 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000581981882 518529496 /nfs/dbraw/zinc/52/94/96/518529496.db2.gz LPACZECGXVCNKL-SQNIBIBYSA-N 1 2 354.454 2.790 20 30 FFEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000573263056 518583037 /nfs/dbraw/zinc/58/30/37/518583037.db2.gz QGMWBYLDUZXQRR-MRXNPFEDSA-N 1 2 356.474 2.832 20 30 FFEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000573263056 518583042 /nfs/dbraw/zinc/58/30/42/518583042.db2.gz QGMWBYLDUZXQRR-MRXNPFEDSA-N 1 2 356.474 2.832 20 30 FFEDLO Cc1cc(C#N)cc(N2CC[NH+](Cc3cn4cc(Cl)ccc4n3)CC2)n1 ZINC000587520845 518680949 /nfs/dbraw/zinc/68/09/49/518680949.db2.gz MGOKOBWFJLPSCU-UHFFFAOYSA-N 1 2 366.856 2.885 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1)c1ccccc1 ZINC000573471726 518680944 /nfs/dbraw/zinc/68/09/44/518680944.db2.gz IZUDXPCFQNYKFK-SJLPKXTDSA-N 1 2 353.466 2.517 20 30 FFEDLO CCc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(CCC#N)CC2)n1 ZINC000567789952 518711144 /nfs/dbraw/zinc/71/11/44/518711144.db2.gz JKWDTUOFJZLBIK-UHFFFAOYSA-N 1 2 365.485 2.528 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cscc1C#N ZINC000576838765 518790121 /nfs/dbraw/zinc/79/01/21/518790121.db2.gz LTHLYIHUPVKRFG-MRXNPFEDSA-N 1 2 369.490 2.983 20 30 FFEDLO Cc1[nH]c(C#N)cc1C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000579674662 518793788 /nfs/dbraw/zinc/79/37/88/518793788.db2.gz XLMNWVXWVGCOGB-UHFFFAOYSA-N 1 2 363.343 2.571 20 30 FFEDLO N#Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1F ZINC000579770085 518841863 /nfs/dbraw/zinc/84/18/63/518841863.db2.gz GWLVCGBJTQVSKN-GOSISDBHSA-N 1 2 368.412 2.720 20 30 FFEDLO N#Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1F ZINC000579770085 518841870 /nfs/dbraw/zinc/84/18/70/518841870.db2.gz GWLVCGBJTQVSKN-GOSISDBHSA-N 1 2 368.412 2.720 20 30 FFEDLO C=C(C)Cn1c(CC(F)(F)F)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000570964288 518863470 /nfs/dbraw/zinc/86/34/70/518863470.db2.gz KYQJTMCNWXLHDY-UHFFFAOYSA-N 1 2 369.391 2.874 20 30 FFEDLO Cn1ncc2c1CCC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C2 ZINC000573900018 518890201 /nfs/dbraw/zinc/89/02/01/518890201.db2.gz HCECQYCXDDDGDF-UHFFFAOYSA-N 1 2 371.872 2.769 20 30 FFEDLO Cn1ncc2c1CCC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C2 ZINC000573900018 518890207 /nfs/dbraw/zinc/89/02/07/518890207.db2.gz HCECQYCXDDDGDF-UHFFFAOYSA-N 1 2 371.872 2.769 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cnc2ccc(Br)cc2c1 ZINC000573901400 518890884 /nfs/dbraw/zinc/89/08/84/518890884.db2.gz GKPBJQKBBRTXJR-CQSZACIVSA-N 1 2 364.243 2.582 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cnc2ccc(Br)cc2c1 ZINC000573901400 518890889 /nfs/dbraw/zinc/89/08/89/518890889.db2.gz GKPBJQKBBRTXJR-CQSZACIVSA-N 1 2 364.243 2.582 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCCc2c(cnn2C)C1 ZINC000579926236 518921570 /nfs/dbraw/zinc/92/15/70/518921570.db2.gz XRJNXDRAAPCZCL-OAHLLOKOSA-N 1 2 369.444 2.643 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCCc2c(cnn2C)C1 ZINC000579926236 518921575 /nfs/dbraw/zinc/92/15/75/518921575.db2.gz XRJNXDRAAPCZCL-OAHLLOKOSA-N 1 2 369.444 2.643 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000568358474 518997684 /nfs/dbraw/zinc/99/76/84/518997684.db2.gz WBHMXLAVSVBECB-NCOADZHNSA-N 1 2 367.852 2.867 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000568358474 518997688 /nfs/dbraw/zinc/99/76/88/518997688.db2.gz WBHMXLAVSVBECB-NCOADZHNSA-N 1 2 367.852 2.867 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cccc(C#N)n2)C[C@H](C)O1 ZINC000589754404 519075449 /nfs/dbraw/zinc/07/54/49/519075449.db2.gz ZDIWHZFDARZLNL-GASCZTMLSA-N 1 2 350.422 2.815 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cccc(C#N)n2)C[C@H](C)O1 ZINC000589754404 519075456 /nfs/dbraw/zinc/07/54/56/519075456.db2.gz ZDIWHZFDARZLNL-GASCZTMLSA-N 1 2 350.422 2.815 20 30 FFEDLO CC(=O)CCc1ccc2oc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(C)c2c1 ZINC000583206295 519129879 /nfs/dbraw/zinc/12/98/79/519129879.db2.gz HTAJKTAAOLZLLQ-HXUWFJFHSA-N 1 2 355.438 2.837 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ncoc3C(F)(F)F)CC2)cc1 ZINC000590410714 519220278 /nfs/dbraw/zinc/22/02/78/519220278.db2.gz WIFMXRKDHWQFOH-UHFFFAOYSA-N 1 2 364.327 2.523 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCn3c(nnc3C(F)F)C2)c(OC(F)F)c1 ZINC000571783083 519273030 /nfs/dbraw/zinc/27/30/30/519273030.db2.gz OKWDOSDKUSOZPQ-UHFFFAOYSA-N 1 2 355.295 2.705 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCn3c(nnc3C(F)F)C2)c(OC(F)F)c1 ZINC000571783083 519273036 /nfs/dbraw/zinc/27/30/36/519273036.db2.gz OKWDOSDKUSOZPQ-UHFFFAOYSA-N 1 2 355.295 2.705 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC000583503369 519283988 /nfs/dbraw/zinc/28/39/88/519283988.db2.gz ZFDYRFHTBBXFKD-IEBWSBKVSA-N 1 2 355.369 2.766 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC000583503369 519283999 /nfs/dbraw/zinc/28/39/99/519283999.db2.gz ZFDYRFHTBBXFKD-IEBWSBKVSA-N 1 2 355.369 2.766 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCn3c[nH+]cc3C2)c1C#N ZINC000590598993 519284321 /nfs/dbraw/zinc/28/43/21/519284321.db2.gz BBINSQMQTQKVOD-UHFFFAOYSA-N 1 2 374.448 2.617 20 30 FFEDLO C=CCOc1cc(OC)ccc1C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000571867915 519317300 /nfs/dbraw/zinc/31/73/00/519317300.db2.gz NEUWVNBLYBVIHO-UHFFFAOYSA-N 1 2 368.424 2.967 20 30 FFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000583574070 519319199 /nfs/dbraw/zinc/31/91/99/519319199.db2.gz NISOZBCDVZXPII-KDOFPFPSSA-N 1 2 371.872 2.651 20 30 FFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000583574070 519319204 /nfs/dbraw/zinc/31/92/04/519319204.db2.gz NISOZBCDVZXPII-KDOFPFPSSA-N 1 2 371.872 2.651 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000566145699 519332293 /nfs/dbraw/zinc/33/22/93/519332293.db2.gz GVKUABACRNSWIT-QRFRQXIXSA-N 1 2 373.497 2.675 20 30 FFEDLO Cc1oc(C2CC2)nc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000580908220 519421895 /nfs/dbraw/zinc/42/18/95/519421895.db2.gz VCTKXQPUZGUXPV-UHFFFAOYSA-N 1 2 350.422 2.690 20 30 FFEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc(Cl)c1Br ZINC000566309354 519426567 /nfs/dbraw/zinc/42/65/67/519426567.db2.gz OFOIWMKISGZORE-CQSZACIVSA-N 1 2 358.667 2.985 20 30 FFEDLO CCN1CCN(c2ccc(C(F)(F)F)c(C#N)n2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000566631892 519586528 /nfs/dbraw/zinc/58/65/28/519586528.db2.gz FWLBCJSTBKTPAW-CYBMUJFWSA-N 1 2 350.348 2.578 20 30 FFEDLO N#Cc1ccsc1C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000566715024 519620542 /nfs/dbraw/zinc/62/05/42/519620542.db2.gz MSPKNZZSAVHTAR-MRXNPFEDSA-N 1 2 357.504 2.967 20 30 FFEDLO N#Cc1ccsc1C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000566715024 519620545 /nfs/dbraw/zinc/62/05/45/519620545.db2.gz MSPKNZZSAVHTAR-MRXNPFEDSA-N 1 2 357.504 2.967 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602856227 519928526 /nfs/dbraw/zinc/92/85/26/519928526.db2.gz JHUXVARXNRWJRB-MGPQQGTHSA-N 1 2 366.412 2.533 20 30 FFEDLO C[C@@H]1C[NH+](CC(=O)NCC2(c3ccccc3)CCCC2)C[C@@H](C)N1CC#N ZINC000602858874 519930987 /nfs/dbraw/zinc/93/09/87/519930987.db2.gz VUPUFZQMXAHICT-RTBURBONSA-N 1 2 368.525 2.533 20 30 FFEDLO C[C@H](NC(=O)[C@H](C)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1)c1cc2ccccc2o1 ZINC000602859403 519931743 /nfs/dbraw/zinc/93/17/43/519931743.db2.gz YBVQMONWAHKBGE-QAETUUGQSA-N 1 2 368.481 2.917 20 30 FFEDLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602859313 519931858 /nfs/dbraw/zinc/93/18/58/519931858.db2.gz FBXBPXIFBVGEBF-XHSDSOJGSA-N 1 2 362.905 2.778 20 30 FFEDLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602859313 519931864 /nfs/dbraw/zinc/93/18/64/519931864.db2.gz FBXBPXIFBVGEBF-XHSDSOJGSA-N 1 2 362.905 2.778 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1cccc(I)c1 ZINC000602865361 519935049 /nfs/dbraw/zinc/93/50/49/519935049.db2.gz XOODKAMFVPVHDQ-VHSXEESVSA-N 1 2 357.195 2.510 20 30 FFEDLO CN1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C(C)(C)C ZINC000602874733 519941787 /nfs/dbraw/zinc/94/17/87/519941787.db2.gz SQTQVFXKHIVXOE-MOPGFXCFSA-N 1 2 354.498 2.716 20 30 FFEDLO CN1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C(C)(C)C ZINC000602874733 519941796 /nfs/dbraw/zinc/94/17/96/519941796.db2.gz SQTQVFXKHIVXOE-MOPGFXCFSA-N 1 2 354.498 2.716 20 30 FFEDLO CC(C)c1nnc(NC(=O)C[NH+]2CCC(c3ccc(C#N)cn3)CC2)s1 ZINC000602907521 519964170 /nfs/dbraw/zinc/96/41/70/519964170.db2.gz NFSQILUNQLBCRF-UHFFFAOYSA-N 1 2 370.482 2.746 20 30 FFEDLO COC[C@@H](CC(C)(C)C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594556190 520024679 /nfs/dbraw/zinc/02/46/79/520024679.db2.gz UVQFXLAREJOCGW-LJQANCHMSA-N 1 2 372.513 2.837 20 30 FFEDLO Cc1cc(NC(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)nn1CCC#N ZINC000603021632 520028597 /nfs/dbraw/zinc/02/85/97/520028597.db2.gz LEEMHTUTEPAIIB-UHFFFAOYSA-N 1 2 363.425 2.785 20 30 FFEDLO C[C@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@H](C)N1CC#N ZINC000603099013 520076664 /nfs/dbraw/zinc/07/66/64/520076664.db2.gz JLOWPRYBTAAMLL-HOTGVXAUSA-N 1 2 350.422 2.932 20 30 FFEDLO N#Cc1cc(NC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)ccn1 ZINC000603117142 520088809 /nfs/dbraw/zinc/08/88/09/520088809.db2.gz BTPABRWBJZTKKC-UHFFFAOYSA-N 1 2 360.421 2.784 20 30 FFEDLO N#CCc1ccc(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000592022916 520138963 /nfs/dbraw/zinc/13/89/63/520138963.db2.gz ORHHLFUJJNCHEC-UHFFFAOYSA-N 1 2 354.479 2.842 20 30 FFEDLO N#CC1(CC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCOCC1 ZINC000597623625 520141995 /nfs/dbraw/zinc/14/19/95/520141995.db2.gz JAPYNQYQGUCDOE-MRXNPFEDSA-N 1 2 356.470 2.636 20 30 FFEDLO N#Cc1ccsc1C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000608890274 520155804 /nfs/dbraw/zinc/15/58/04/520155804.db2.gz MJHSLGHHCSADTO-UHFFFAOYSA-N 1 2 353.407 2.585 20 30 FFEDLO CC[C@H](C)[C@H]1CN(Cc2ccncc2C#N)CC[N@@H+]1Cc1ccncc1C#N ZINC000592085650 520172803 /nfs/dbraw/zinc/17/28/03/520172803.db2.gz IGVBWOFZLJOYQB-HTAPYJJXSA-N 1 2 374.492 2.952 20 30 FFEDLO CC[C@H](C)[C@H]1CN(Cc2ccncc2C#N)CC[N@H+]1Cc1ccncc1C#N ZINC000592085650 520172810 /nfs/dbraw/zinc/17/28/10/520172810.db2.gz IGVBWOFZLJOYQB-HTAPYJJXSA-N 1 2 374.492 2.952 20 30 FFEDLO COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592147394 520224132 /nfs/dbraw/zinc/22/41/32/520224132.db2.gz LKFPYJUXYWENJG-CTNGQTDRSA-N 1 2 365.433 2.725 20 30 FFEDLO COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592147394 520224136 /nfs/dbraw/zinc/22/41/36/520224136.db2.gz LKFPYJUXYWENJG-CTNGQTDRSA-N 1 2 365.433 2.725 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000592150050 520228961 /nfs/dbraw/zinc/22/89/61/520228961.db2.gz BYRJODPNHPZYDQ-INIZCTEOSA-N 1 2 362.227 2.955 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000592150050 520228970 /nfs/dbraw/zinc/22/89/70/520228970.db2.gz BYRJODPNHPZYDQ-INIZCTEOSA-N 1 2 362.227 2.955 20 30 FFEDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000609213626 520233624 /nfs/dbraw/zinc/23/36/24/520233624.db2.gz YNDMHBDSGCHANU-UHFFFAOYSA-N 1 2 368.403 2.567 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000609484295 520327290 /nfs/dbraw/zinc/32/72/90/520327290.db2.gz ACCUHJGUOSQOLO-FXAWDEMLSA-N 1 2 354.498 2.520 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000603629563 520332678 /nfs/dbraw/zinc/33/26/78/520332678.db2.gz LPLSQSKUFJVKJG-GJYPPUQNSA-N 1 2 372.488 2.903 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000603629591 520333062 /nfs/dbraw/zinc/33/30/62/520333062.db2.gz ZBPKUBZHPDEXNW-BBWFWOEESA-N 1 2 372.488 2.712 20 30 FFEDLO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609539010 520348848 /nfs/dbraw/zinc/34/88/48/520348848.db2.gz PVVLBEGBIQUQSA-QZTJIDSGSA-N 1 2 374.554 2.750 20 30 FFEDLO COC(=O)C[N@H+](CCc1ccc(C#N)cc1)Cc1cc(OC)cc(OC)c1 ZINC000595294327 520389754 /nfs/dbraw/zinc/38/97/54/520389754.db2.gz LLMLFDZPZJVVMA-UHFFFAOYSA-N 1 2 368.433 2.793 20 30 FFEDLO COC(=O)C[N@@H+](CCc1ccc(C#N)cc1)Cc1cc(OC)cc(OC)c1 ZINC000595294327 520389762 /nfs/dbraw/zinc/38/97/62/520389762.db2.gz LLMLFDZPZJVVMA-UHFFFAOYSA-N 1 2 368.433 2.793 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1CC1 ZINC000604276188 520504167 /nfs/dbraw/zinc/50/41/67/520504167.db2.gz GWXJDWJUMCJFKC-NTZNESFSSA-N 1 2 371.325 2.858 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1CC1 ZINC000604276188 520504177 /nfs/dbraw/zinc/50/41/77/520504177.db2.gz GWXJDWJUMCJFKC-NTZNESFSSA-N 1 2 371.325 2.858 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](c3ccccn3)C2)C1=O ZINC000595502413 520512066 /nfs/dbraw/zinc/51/20/66/520512066.db2.gz UDFFTJKXFKFKBL-NVXWUHKLSA-N 1 2 352.463 3.000 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](c3ccccn3)C2)C1=O ZINC000595502413 520512067 /nfs/dbraw/zinc/51/20/67/520512067.db2.gz UDFFTJKXFKFKBL-NVXWUHKLSA-N 1 2 352.463 3.000 20 30 FFEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1 ZINC000595611823 520593152 /nfs/dbraw/zinc/59/31/52/520593152.db2.gz NRPJTTBGMCWNNR-LBPRGKRZSA-N 1 2 350.348 2.807 20 30 FFEDLO N#CC[C@@H]1CCC[N@H+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1 ZINC000595611823 520593159 /nfs/dbraw/zinc/59/31/59/520593159.db2.gz NRPJTTBGMCWNNR-LBPRGKRZSA-N 1 2 350.348 2.807 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595618336 520597022 /nfs/dbraw/zinc/59/70/22/520597022.db2.gz NSARNHGIZVTJAB-IIBYNOLFSA-N 1 2 371.481 2.831 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595618336 520597031 /nfs/dbraw/zinc/59/70/31/520597031.db2.gz NSARNHGIZVTJAB-IIBYNOLFSA-N 1 2 371.481 2.831 20 30 FFEDLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632200 520609370 /nfs/dbraw/zinc/60/93/70/520609370.db2.gz BIUVFMVONCOCAR-OWCLPIDISA-N 1 2 360.527 2.635 20 30 FFEDLO N#Cc1sccc1N1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000595632846 520609920 /nfs/dbraw/zinc/60/99/20/520609920.db2.gz JMQRMYVGABCWCZ-UHFFFAOYSA-N 1 2 359.426 2.948 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)OC)[C@@H](C)COC ZINC000595638673 520615558 /nfs/dbraw/zinc/61/55/58/520615558.db2.gz KIOHUJKHEUBPSE-NSHDSACASA-N 1 2 354.472 2.613 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)OC)[C@@H](C)COC ZINC000595638673 520615563 /nfs/dbraw/zinc/61/55/63/520615563.db2.gz KIOHUJKHEUBPSE-NSHDSACASA-N 1 2 354.472 2.613 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@H]2c2cccc(F)c2)cc1 ZINC000595758264 520704216 /nfs/dbraw/zinc/70/42/16/520704216.db2.gz HFEYCZDHOQDVJR-CTNGQTDRSA-N 1 2 370.424 2.705 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@H]2c2cccc(F)c2)cc1 ZINC000595758264 520704220 /nfs/dbraw/zinc/70/42/20/520704220.db2.gz HFEYCZDHOQDVJR-CTNGQTDRSA-N 1 2 370.424 2.705 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000595766402 520709830 /nfs/dbraw/zinc/70/98/30/520709830.db2.gz GWOPHJAALQTYDS-AABGKKOBSA-N 1 2 352.482 2.822 20 30 FFEDLO CC[C@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1nnc2n1CCCCC2 ZINC000595807403 520739688 /nfs/dbraw/zinc/73/96/88/520739688.db2.gz YWTALJOSGFOMPW-HOTGVXAUSA-N 1 2 372.517 2.776 20 30 FFEDLO N#CC1(c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)CC2(CC2)C1 ZINC000601361447 520755426 /nfs/dbraw/zinc/75/54/26/520755426.db2.gz KGWPNXPNCFNLOW-MRXNPFEDSA-N 1 2 350.422 2.978 20 30 FFEDLO N#CC1(c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)CC2(CC2)C1 ZINC000601361447 520755433 /nfs/dbraw/zinc/75/54/33/520755433.db2.gz KGWPNXPNCFNLOW-MRXNPFEDSA-N 1 2 350.422 2.978 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccnn2CCc2ccccc2)CC1 ZINC000598672380 520777773 /nfs/dbraw/zinc/77/77/73/520777773.db2.gz OZJRKBAKKLPEHQ-UHFFFAOYSA-N 1 2 372.476 2.715 20 30 FFEDLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2cc(C#N)ncn2)CC1 ZINC000617956205 520800871 /nfs/dbraw/zinc/80/08/71/520800871.db2.gz AAKPAMFZXPIYGQ-CYBMUJFWSA-N 1 2 372.270 2.994 20 30 FFEDLO Cc1cc(NCc2ccc(N3CCOCC3)[nH+]c2)cc(C#N)c1[N+](=O)[O-] ZINC000596065573 520890357 /nfs/dbraw/zinc/89/03/57/520890357.db2.gz SIYVPGDTZFAAHL-UHFFFAOYSA-N 1 2 353.382 2.619 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](CC(=O)Nc1n[nH]c(C2CC2)c1C#N)C(F)(F)F ZINC000601739379 520927892 /nfs/dbraw/zinc/92/78/92/520927892.db2.gz TXZXRQQURSGQFU-SNVBAGLBSA-N 1 2 352.320 2.567 20 30 FFEDLO COc1cccc(OCC[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000611033954 520954881 /nfs/dbraw/zinc/95/48/81/520954881.db2.gz OUGLSEZORYMZMY-UHFFFAOYSA-N 1 2 368.437 2.633 20 30 FFEDLO N#C[C@]1(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC12CCCC2 ZINC000601855007 520989855 /nfs/dbraw/zinc/98/98/55/520989855.db2.gz LUXOTAIBRCIIMH-IBGZPJMESA-N 1 2 356.495 2.725 20 30 FFEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccsc1C#N)c1ccccc1Cl ZINC000593525136 521049358 /nfs/dbraw/zinc/04/93/58/521049358.db2.gz JTJNWFNPPTXLOW-CYBMUJFWSA-N 1 2 369.899 2.854 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC000611322716 521096527 /nfs/dbraw/zinc/09/65/27/521096527.db2.gz MGFMLQWXDGWSQY-DLBZAZTESA-N 1 2 358.438 2.684 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC000611322716 521096535 /nfs/dbraw/zinc/09/65/35/521096535.db2.gz MGFMLQWXDGWSQY-DLBZAZTESA-N 1 2 358.438 2.684 20 30 FFEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)CC2 ZINC000599234607 521099502 /nfs/dbraw/zinc/09/95/02/521099502.db2.gz WZKLICNKIZVEJP-DZGCQCFKSA-N 1 2 373.254 2.898 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@@H](C#N)c2ccc(F)cc2)cc1 ZINC000602058099 521111134 /nfs/dbraw/zinc/11/11/34/521111134.db2.gz OYONNNKYKFQCHW-RBUKOAKNSA-N 1 2 353.397 2.790 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@@H](C#N)c2ccc(F)cc2)cc1 ZINC000602058099 521111142 /nfs/dbraw/zinc/11/11/42/521111142.db2.gz OYONNNKYKFQCHW-RBUKOAKNSA-N 1 2 353.397 2.790 20 30 FFEDLO COc1ccc(OC)c(C[NH+]2CCN(c3nc(C#N)ccc3C)CC2)c1 ZINC000611398866 521136486 /nfs/dbraw/zinc/13/64/86/521136486.db2.gz LYLWYYJSLIDSFV-UHFFFAOYSA-N 1 2 352.438 2.601 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598894 521157535 /nfs/dbraw/zinc/15/75/35/521157535.db2.gz NPIPEDRJTSMVBG-OAHLLOKOSA-N 1 2 357.502 2.536 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598894 521157543 /nfs/dbraw/zinc/15/75/43/521157543.db2.gz NPIPEDRJTSMVBG-OAHLLOKOSA-N 1 2 357.502 2.536 20 30 FFEDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1C#N ZINC000599332203 521159683 /nfs/dbraw/zinc/15/96/83/521159683.db2.gz NFJHEGHVSOOYHY-UHFFFAOYSA-N 1 2 364.405 2.733 20 30 FFEDLO C=CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000602137069 521164918 /nfs/dbraw/zinc/16/49/18/521164918.db2.gz CTPGTYOSFPUPSU-ZHALLVOQSA-N 1 2 367.449 2.702 20 30 FFEDLO C=CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000602137069 521164924 /nfs/dbraw/zinc/16/49/24/521164924.db2.gz CTPGTYOSFPUPSU-ZHALLVOQSA-N 1 2 367.449 2.702 20 30 FFEDLO Cc1nc(C#N)c(N2CCC(c3nc(Cc4c[nH+]ccc4C)no3)CC2)o1 ZINC000596616584 521167540 /nfs/dbraw/zinc/16/75/40/521167540.db2.gz INUVPXIVIJXBEJ-UHFFFAOYSA-N 1 2 364.409 2.916 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000599371656 521180428 /nfs/dbraw/zinc/18/04/28/521180428.db2.gz DUAPYAGTAPRRGK-CABCVRRESA-N 1 2 361.492 2.545 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCSC[C@H]1c1nccs1 ZINC000599371656 521180439 /nfs/dbraw/zinc/18/04/39/521180439.db2.gz DUAPYAGTAPRRGK-CABCVRRESA-N 1 2 361.492 2.545 20 30 FFEDLO N#CC1(CC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)CCOCC1 ZINC000596660928 521198441 /nfs/dbraw/zinc/19/84/41/521198441.db2.gz HUSSNPVIWJGSSL-UHFFFAOYSA-N 1 2 361.873 2.695 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)o1 ZINC000611550975 521214243 /nfs/dbraw/zinc/21/42/43/521214243.db2.gz LLWDPIIQUPSWDP-KRWDZBQOSA-N 1 2 357.385 2.588 20 30 FFEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000618784499 521233309 /nfs/dbraw/zinc/23/33/09/521233309.db2.gz SQXBVAGVAYPHKQ-NRFANRHFSA-N 1 2 361.445 2.808 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000593959988 521316584 /nfs/dbraw/zinc/31/65/84/521316584.db2.gz YBWRSNYYKKPFFW-OAHLLOKOSA-N 1 2 368.868 2.882 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000593959988 521316593 /nfs/dbraw/zinc/31/65/93/521316593.db2.gz YBWRSNYYKKPFFW-OAHLLOKOSA-N 1 2 368.868 2.882 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CCC[C@@]2(Cc2ccccc2)C(=O)OCC)nn1 ZINC000593972570 521323780 /nfs/dbraw/zinc/32/37/80/521323780.db2.gz FKLPVUATYJXTPJ-OAQYLSRUSA-N 1 2 368.481 2.995 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@]2(Cc2ccccc2)C(=O)OCC)nn1 ZINC000593972570 521323786 /nfs/dbraw/zinc/32/37/86/521323786.db2.gz FKLPVUATYJXTPJ-OAQYLSRUSA-N 1 2 368.481 2.995 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(S(N)(=O)=O)cc1 ZINC000602488003 521375851 /nfs/dbraw/zinc/37/58/51/521375851.db2.gz YAVNKYLFACZRBR-RTBURBONSA-N 1 2 355.463 2.606 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(S(N)(=O)=O)cc1 ZINC000602488003 521375856 /nfs/dbraw/zinc/37/58/56/521375856.db2.gz YAVNKYLFACZRBR-RTBURBONSA-N 1 2 355.463 2.606 20 30 FFEDLO N#CCCn1cc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c(-c2ccncc2)n1 ZINC000619068192 521381514 /nfs/dbraw/zinc/38/15/14/521381514.db2.gz WVXXSVPLMMLJMF-KRWDZBQOSA-N 1 2 361.453 2.961 20 30 FFEDLO N#CCCn1cc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c(-c2ccncc2)n1 ZINC000619068192 521381522 /nfs/dbraw/zinc/38/15/22/521381522.db2.gz WVXXSVPLMMLJMF-KRWDZBQOSA-N 1 2 361.453 2.961 20 30 FFEDLO N#Cc1cc(O)cc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000615487921 521419586 /nfs/dbraw/zinc/41/95/86/521419586.db2.gz IQERAZINLBOQSZ-UHFFFAOYSA-N 1 2 355.825 2.705 20 30 FFEDLO N#Cc1cc(O)cc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000615487921 521419594 /nfs/dbraw/zinc/41/95/94/521419594.db2.gz IQERAZINLBOQSZ-UHFFFAOYSA-N 1 2 355.825 2.705 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@](F)(C#N)C3)n2)C1 ZINC000615522009 521427688 /nfs/dbraw/zinc/42/76/88/521427688.db2.gz PQNLOUHZYMTYII-WBMJQRKESA-N 1 2 351.451 2.844 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@](F)(C#N)C3)n2)C1 ZINC000615522009 521427696 /nfs/dbraw/zinc/42/76/96/521427696.db2.gz PQNLOUHZYMTYII-WBMJQRKESA-N 1 2 351.451 2.844 20 30 FFEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[C@@](F)(C#N)C2)C[C@@H](C)O1 ZINC000615531581 521432208 /nfs/dbraw/zinc/43/22/08/521432208.db2.gz QBCPNRNMCRSOJF-SPYBWZPUSA-N 1 2 360.433 2.765 20 30 FFEDLO N#Cc1cccc(C[N@H+](CCO)Cc2ccc(Br)s2)n1 ZINC000602629437 521445913 /nfs/dbraw/zinc/44/59/13/521445913.db2.gz GUKXUXVLPKGAPN-UHFFFAOYSA-N 1 2 352.257 2.772 20 30 FFEDLO N#Cc1cccc(C[N@@H+](CCO)Cc2ccc(Br)s2)n1 ZINC000602629437 521445918 /nfs/dbraw/zinc/44/59/18/521445918.db2.gz GUKXUXVLPKGAPN-UHFFFAOYSA-N 1 2 352.257 2.772 20 30 FFEDLO Cc1cc(NCCNC(=O)Nc2ccc(F)cc2C#N)nc(C(C)C)[nH+]1 ZINC000599751696 521448091 /nfs/dbraw/zinc/44/80/91/521448091.db2.gz XJKNSCRVMGBRJO-UHFFFAOYSA-N 1 2 356.405 2.575 20 30 FFEDLO C[C@H](CCC#N)C[N@@H+]1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000602634948 521449656 /nfs/dbraw/zinc/44/96/56/521449656.db2.gz QNQIBDSNOVHOPI-DOMZBBRYSA-N 1 2 355.360 2.998 20 30 FFEDLO C[C@H](CCC#N)C[N@H+]1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000602634948 521449661 /nfs/dbraw/zinc/44/96/61/521449661.db2.gz QNQIBDSNOVHOPI-DOMZBBRYSA-N 1 2 355.360 2.998 20 30 FFEDLO C[C@@H](CCC#N)C[N@@H+]1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000602634953 521449993 /nfs/dbraw/zinc/44/99/93/521449993.db2.gz QNQIBDSNOVHOPI-WFASDCNBSA-N 1 2 355.360 2.998 20 30 FFEDLO C[C@@H](CCC#N)C[N@H+]1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000602634953 521449998 /nfs/dbraw/zinc/44/99/98/521449998.db2.gz QNQIBDSNOVHOPI-WFASDCNBSA-N 1 2 355.360 2.998 20 30 FFEDLO C[C@H](CCC#N)C[N@@H+]1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000602634950 521450364 /nfs/dbraw/zinc/45/03/64/521450364.db2.gz QNQIBDSNOVHOPI-IUODEOHRSA-N 1 2 355.360 2.998 20 30 FFEDLO C[C@H](CCC#N)C[N@H+]1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000602634950 521450369 /nfs/dbraw/zinc/45/03/69/521450369.db2.gz QNQIBDSNOVHOPI-IUODEOHRSA-N 1 2 355.360 2.998 20 30 FFEDLO Cc1cccn2c(NC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)c[nH+]c12 ZINC000597080326 521487971 /nfs/dbraw/zinc/48/79/71/521487971.db2.gz FSRPDAAMQDFIMR-HNNXBMFYSA-N 1 2 362.393 2.595 20 30 FFEDLO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@](C)(C#N)C2)c(OC)c1 ZINC000612163102 521514603 /nfs/dbraw/zinc/51/46/03/521514603.db2.gz OKOHMUVGVKVCOM-WIYYLYMNSA-N 1 2 371.481 2.993 20 30 FFEDLO COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@](C)(C#N)C2)c(OC)c1 ZINC000612163102 521514609 /nfs/dbraw/zinc/51/46/09/521514609.db2.gz OKOHMUVGVKVCOM-WIYYLYMNSA-N 1 2 371.481 2.993 20 30 FFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000594278482 521529912 /nfs/dbraw/zinc/52/99/12/521529912.db2.gz RDOLBVJGECKKNS-GFCCVEGCSA-N 1 2 350.344 2.812 20 30 FFEDLO C[C@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000612271277 521554435 /nfs/dbraw/zinc/55/44/35/521554435.db2.gz LOTAFDRVBJLRAE-HXUWFJFHSA-N 1 2 364.405 2.965 20 30 FFEDLO CCOC(=O)c1ncc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)s1 ZINC000602825873 521555668 /nfs/dbraw/zinc/55/56/68/521555668.db2.gz UQIGARKFINWQIV-UHFFFAOYSA-N 1 2 356.451 2.772 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1ccc(C#N)cc1F ZINC000619434941 521566095 /nfs/dbraw/zinc/56/60/95/521566095.db2.gz RHAHFKHIIBAYFM-UHFFFAOYSA-N 1 2 358.323 2.950 20 30 FFEDLO C[C@@]1(C#N)CCCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000612367177 521593232 /nfs/dbraw/zinc/59/32/32/521593232.db2.gz MJPDRCFUBKLUMY-FQEVSTJZSA-N 1 2 365.437 2.678 20 30 FFEDLO N#CC1(CNC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000619534030 521756399 /nfs/dbraw/zinc/75/63/99/521756399.db2.gz XRRMJMKZCFCWKH-UHFFFAOYSA-N 1 2 366.387 2.836 20 30 FFEDLO N#Cc1ccc(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000619768582 521861789 /nfs/dbraw/zinc/86/17/89/521861789.db2.gz NNJVGBSEPATZMN-MRXNPFEDSA-N 1 2 356.813 2.970 20 30 FFEDLO C=CC(C)(C)CCNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000627687672 523018314 /nfs/dbraw/zinc/01/83/14/523018314.db2.gz UASXADARUKAFAX-INIZCTEOSA-N 1 2 373.497 2.737 20 30 FFEDLO C=CCn1c([C@@H]2CCCS2)n[n-]c1=[NH+]c1cnn(C2CC[NH+](C)CC2)c1 ZINC000634341367 523357010 /nfs/dbraw/zinc/35/70/10/523357010.db2.gz VJWDYNXHNAJHSX-INIZCTEOSA-N 1 2 373.530 2.661 20 30 FFEDLO N#Cc1cc(NCc2ccc[nH+]c2N2CCOCC2)ncc1Br ZINC000603272004 553749307 /nfs/dbraw/zinc/74/93/07/553749307.db2.gz OWXUGVQOFXYZJL-UHFFFAOYSA-N 1 2 374.242 2.559 20 30 FFEDLO Cn1c[nH+]cc1CCC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000527005716 562273062 /nfs/dbraw/zinc/27/30/62/562273062.db2.gz ICCGAYXKSYOOTR-UHFFFAOYSA-N 1 2 354.801 2.702 20 30 FFEDLO Cc1cc(NCCNC(=O)c2ncc(C#N)cc2Cl)nc(C(C)C)[nH+]1 ZINC000529844372 562388497 /nfs/dbraw/zinc/38/84/97/562388497.db2.gz GDHHVBSXQIJHOL-UHFFFAOYSA-N 1 2 358.833 2.670 20 30 FFEDLO CCn1cc(C(=O)N=c2[nH][nH]c(CCC[NH2+]C)c2C#N)c2ccccc21 ZINC000534795611 562542496 /nfs/dbraw/zinc/54/24/96/562542496.db2.gz ZKBTUYCCHYMUIH-UHFFFAOYSA-N 1 2 350.426 2.660 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cn1cnc(-c2ccccc2)n1 ZINC000735426949 599263479 /nfs/dbraw/zinc/26/34/79/599263479.db2.gz ZJLXYXQIQCIJMC-UHFFFAOYSA-N 1 2 372.436 2.771 20 30 FFEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cn1cnc(-c2ccccc2)n1 ZINC000735426949 599263481 /nfs/dbraw/zinc/26/34/81/599263481.db2.gz ZJLXYXQIQCIJMC-UHFFFAOYSA-N 1 2 372.436 2.771 20 30 FFEDLO C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000833550597 604924869 /nfs/dbraw/zinc/92/48/69/604924869.db2.gz PBJABTSJKKEEMO-QRWLVFNGSA-N 1 2 364.449 2.894 20 30 FFEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@H](CCC(=O)OCC)C2)c1=S ZINC000154864255 728814002 /nfs/dbraw/zinc/81/40/02/728814002.db2.gz XWFVQWAZTUPORV-OAHLLOKOSA-N 1 2 352.504 2.921 20 30 FFEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H](CCC(=O)OCC)C2)c1=S ZINC000154864255 728814004 /nfs/dbraw/zinc/81/40/04/728814004.db2.gz XWFVQWAZTUPORV-OAHLLOKOSA-N 1 2 352.504 2.921 20 30 FFEDLO CC(C)(CNC(=O)Cc1ccc(Br)cc1C#N)n1cc[nH+]c1 ZINC000898909668 735422405 /nfs/dbraw/zinc/42/24/05/735422405.db2.gz FARQZIBDFIYOSD-UHFFFAOYSA-N 1 2 361.243 2.611 20 30 FFEDLO C=CCc1cc(C[NH+]2CCN(C3=NC[C@H](C)S3)CC2)cc(OC)c1O ZINC000093662983 728476979 /nfs/dbraw/zinc/47/69/79/728476979.db2.gz FWTBPORFOSXMLK-AWEZNQCLSA-N 1 2 361.511 2.738 20 30 FFEDLO CC[C@@H]1c2ccsc2CCN1C(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000183017933 729293649 /nfs/dbraw/zinc/29/36/49/729293649.db2.gz XFYSCNKYEPMDHF-OAHLLOKOSA-N 1 2 358.467 2.510 20 30 FFEDLO CC[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cccc(C#N)c1O ZINC000924784425 738449433 /nfs/dbraw/zinc/44/94/33/738449433.db2.gz DMYNWWRVGBMMRC-PKOBYXMFSA-N 1 2 361.511 2.512 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000860302579 730499875 /nfs/dbraw/zinc/49/98/75/730499875.db2.gz ZCLNAYOKYBCUSM-CQSZACIVSA-N 1 2 350.488 2.679 20 30 FFEDLO C=C(Cl)C[C@H]1NC(=O)N(c2cccc([C@H](C)[NH+]3CCOCC3)c2)C1=O ZINC000864555888 730860028 /nfs/dbraw/zinc/86/00/28/730860028.db2.gz ZZLMUVGRRBSZNN-XJKSGUPXSA-N 1 2 363.845 2.647 20 30 FFEDLO C=C(Cl)C[C@@H]1NC(=O)N(c2cccc([C@H](C)[NH+]3CCOCC3)c2)C1=O ZINC000864555885 730860044 /nfs/dbraw/zinc/86/00/44/730860044.db2.gz ZZLMUVGRRBSZNN-BBRMVZONSA-N 1 2 363.845 2.647 20 30 FFEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000867680478 731213089 /nfs/dbraw/zinc/21/30/89/731213089.db2.gz NUXKAMVGSFBLPR-UHFFFAOYSA-N 1 2 351.472 2.728 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC[C@@H]3CCSC3)CC2)cc1 ZINC000868833330 731336485 /nfs/dbraw/zinc/33/64/85/731336485.db2.gz NTJQJDZDHCXSHE-GOSISDBHSA-N 1 2 358.511 2.529 20 30 FFEDLO C=CCCn1cc(CNC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)nn1 ZINC000657445770 731780317 /nfs/dbraw/zinc/78/03/17/731780317.db2.gz AVISKRMPUWZTSP-LJQANCHMSA-N 1 2 357.527 2.561 20 30 FFEDLO C=CCCn1cc(CNC[C@@H]2CSCC[N@H+]2Cc2ccccc2)nn1 ZINC000657445770 731780318 /nfs/dbraw/zinc/78/03/18/731780318.db2.gz AVISKRMPUWZTSP-LJQANCHMSA-N 1 2 357.527 2.561 20 30 FFEDLO Cn1ccc(-c2nc(C[N@H+](C)C[C@H](O)c3cccc(C#N)c3)cs2)n1 ZINC000878802118 732596350 /nfs/dbraw/zinc/59/63/50/732596350.db2.gz BEPBCZJLGWKPNT-KRWDZBQOSA-N 1 2 353.451 2.581 20 30 FFEDLO Cn1ccc(-c2nc(C[N@@H+](C)C[C@H](O)c3cccc(C#N)c3)cs2)n1 ZINC000878802118 732596351 /nfs/dbraw/zinc/59/63/51/732596351.db2.gz BEPBCZJLGWKPNT-KRWDZBQOSA-N 1 2 353.451 2.581 20 30 FFEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000667017200 732930523 /nfs/dbraw/zinc/93/05/23/732930523.db2.gz KZUJRAFODAUTSH-CZUORRHYSA-N 1 2 364.515 2.784 20 30 FFEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000667017200 732930528 /nfs/dbraw/zinc/93/05/28/732930528.db2.gz KZUJRAFODAUTSH-CZUORRHYSA-N 1 2 364.515 2.784 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000884307049 733509153 /nfs/dbraw/zinc/50/91/53/733509153.db2.gz WSWYAQUQNIMEJM-YGRLFVJLSA-N 1 2 359.253 2.959 20 30 FFEDLO NC(=[NH+]OCc1nc(-c2ccoc2)no1)c1ccc(Br)cc1 ZINC000782949626 738767130 /nfs/dbraw/zinc/76/71/30/738767130.db2.gz KRMRMZIOCWAVSZ-UHFFFAOYSA-N 1 2 363.171 2.929 20 30 FFEDLO C/C(=C/C(=O)Nc1ccc(Br)c(C#N)c1)C[NH+]1CCOCC1 ZINC000887994511 734002115 /nfs/dbraw/zinc/00/21/15/734002115.db2.gz ALLVMGVHJHVECR-WQLSENKSSA-N 1 2 364.243 2.538 20 30 FFEDLO C=CCOc1cc(OC)ccc1C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927768982 738780692 /nfs/dbraw/zinc/78/06/92/738780692.db2.gz OLSFRGHDCLGNSC-UHFFFAOYSA-N 1 2 361.467 2.708 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3cnc(CC(F)(F)F)s3)CC2)n1 ZINC000893598334 734724342 /nfs/dbraw/zinc/72/43/42/734724342.db2.gz TUUQPTALQJANGY-UHFFFAOYSA-N 1 2 367.400 2.837 20 30 FFEDLO CCc1cc(Br)ccc1N[NH+]=Cc1c(N)ncnc1OC ZINC000783872471 738844760 /nfs/dbraw/zinc/84/47/60/738844760.db2.gz ZTIPCYCLXNXWJP-UHFFFAOYSA-N 1 2 350.220 2.838 20 30 FFEDLO O=C1[C@@H]([NH2+]Cc2nc3ccc(Br)cc3s2)CCCN1O ZINC000895158953 734969822 /nfs/dbraw/zinc/96/98/22/734969822.db2.gz AFUKBLBZZMRKPN-JTQLQIEISA-N 1 2 356.245 2.529 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000742237957 735213655 /nfs/dbraw/zinc/21/36/55/735213655.db2.gz RNMVHZNWFLGZDQ-ZDUSSCGKSA-N 1 2 351.397 2.513 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000742237957 735213659 /nfs/dbraw/zinc/21/36/59/735213659.db2.gz RNMVHZNWFLGZDQ-ZDUSSCGKSA-N 1 2 351.397 2.513 20 30 FFEDLO CS[C@@H]1CC[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1 ZINC000742266961 735216080 /nfs/dbraw/zinc/21/60/80/735216080.db2.gz OMLVVWPZDHIHMC-CHWSQXEVSA-N 1 2 356.495 2.930 20 30 FFEDLO CC(=Nn1cc(Br)cn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000752746664 736008924 /nfs/dbraw/zinc/00/89/24/736008924.db2.gz SEJRYKCIBTUEFR-INIZCTEOSA-N 1 2 363.259 2.771 20 30 FFEDLO CC(=Nn1cc(Br)cn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000752746664 736008928 /nfs/dbraw/zinc/00/89/28/736008928.db2.gz SEJRYKCIBTUEFR-INIZCTEOSA-N 1 2 363.259 2.771 20 30 FFEDLO C#CCN(C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C1CSC1 ZINC000903165641 736046030 /nfs/dbraw/zinc/04/60/30/736046030.db2.gz MVOWYCDOPDFMNW-OAHLLOKOSA-N 1 2 359.495 2.662 20 30 FFEDLO Fc1cc2[nH]c([N-][NH+]=Cc3cnc(N4CCOCC4)s3)[nH+]c2cc1F ZINC000755630532 736266911 /nfs/dbraw/zinc/26/69/11/736266911.db2.gz FEHMGLBXWVPQBD-UHFFFAOYSA-N 1 2 364.381 2.580 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2c3ccccc3CC[C@H]2F)c1 ZINC000905452204 736342416 /nfs/dbraw/zinc/34/24/16/736342416.db2.gz JFCAEOZRFDUQIM-MOPGFXCFSA-N 1 2 358.438 2.947 20 30 FFEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@H](Cc4nccs4)C3)c1=O)CCC2 ZINC000905733978 736391007 /nfs/dbraw/zinc/39/10/07/736391007.db2.gz LFTXJENJGBCZBR-CQSZACIVSA-N 1 2 354.479 2.577 20 30 FFEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@H](Cc4nccs4)C3)c1=O)CCC2 ZINC000905733978 736391009 /nfs/dbraw/zinc/39/10/09/736391009.db2.gz LFTXJENJGBCZBR-CQSZACIVSA-N 1 2 354.479 2.577 20 30 FFEDLO CN(C)c1cc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)ccn1 ZINC000769921184 737584618 /nfs/dbraw/zinc/58/46/18/737584618.db2.gz NMVWIDMSAWRAEV-UHFFFAOYSA-N 1 2 355.873 2.995 20 30 FFEDLO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000929755560 739018594 /nfs/dbraw/zinc/01/85/94/739018594.db2.gz PEPMZVLKOPXECJ-ZIAGYGMSSA-N 1 2 356.207 2.703 20 30 FFEDLO N#CC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000929755560 739018597 /nfs/dbraw/zinc/01/85/97/739018597.db2.gz PEPMZVLKOPXECJ-ZIAGYGMSSA-N 1 2 356.207 2.703 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)nn1 ZINC000933712905 739677059 /nfs/dbraw/zinc/67/70/59/739677059.db2.gz BESSOSQELSMMLH-LBPRGKRZSA-N 1 2 352.364 2.653 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)nn1 ZINC000933712905 739677064 /nfs/dbraw/zinc/67/70/64/739677064.db2.gz BESSOSQELSMMLH-LBPRGKRZSA-N 1 2 352.364 2.653 20 30 FFEDLO C=CCCC[N@@H+](CC)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000934647723 739818742 /nfs/dbraw/zinc/81/87/42/739818742.db2.gz DAGQCZTYZFVGRY-UHFFFAOYSA-N 1 2 358.891 2.970 20 30 FFEDLO C=CCCC[N@H+](CC)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000934647723 739818745 /nfs/dbraw/zinc/81/87/45/739818745.db2.gz DAGQCZTYZFVGRY-UHFFFAOYSA-N 1 2 358.891 2.970 20 30 FFEDLO C#Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1 ZINC000934917176 739866142 /nfs/dbraw/zinc/86/61/42/739866142.db2.gz BFJFFQZMBXQAEG-UHFFFAOYSA-N 1 2 352.463 2.938 20 30 FFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000795133564 739971435 /nfs/dbraw/zinc/97/14/35/739971435.db2.gz VTBCZPYRHYKTMR-IUODEOHRSA-N 1 2 364.902 2.703 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=C)Br)CC1(C)C ZINC000941038904 740193845 /nfs/dbraw/zinc/19/38/45/740193845.db2.gz JUPJFXCCBNSFQZ-QLFBSQMISA-N 1 2 371.319 2.703 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=C)Br)CC1(C)C ZINC000941038904 740193849 /nfs/dbraw/zinc/19/38/49/740193849.db2.gz JUPJFXCCBNSFQZ-QLFBSQMISA-N 1 2 371.319 2.703 20 30 FFEDLO CCCCCCCS(=O)(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000799766645 740449013 /nfs/dbraw/zinc/44/90/13/740449013.db2.gz PQZKAKTVAQKYGJ-KZNAEPCWSA-N 1 2 360.564 2.860 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000800336193 740513845 /nfs/dbraw/zinc/51/38/45/740513845.db2.gz FTIBEFOHRCWJKH-BZUAXINKSA-N 1 2 352.475 2.826 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000800336193 740513848 /nfs/dbraw/zinc/51/38/48/740513848.db2.gz FTIBEFOHRCWJKH-BZUAXINKSA-N 1 2 352.475 2.826 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2nc(C)sc2C)C1 ZINC000970572190 740752639 /nfs/dbraw/zinc/75/26/39/740752639.db2.gz SJNCVTIXRFKOKM-IWEFOYFVSA-N 1 2 363.527 2.678 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC000972526557 740833997 /nfs/dbraw/zinc/83/39/97/740833997.db2.gz HMRGDHPVZVQKSW-RYRKJORJSA-N 1 2 363.527 2.719 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC000972526557 740834002 /nfs/dbraw/zinc/83/40/02/740834002.db2.gz HMRGDHPVZVQKSW-RYRKJORJSA-N 1 2 363.527 2.719 20 30 FFEDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000805827082 741014888 /nfs/dbraw/zinc/01/48/88/741014888.db2.gz GFJWAGQKUPPBEN-CQSZACIVSA-N 1 2 353.369 2.870 20 30 FFEDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000805827082 741014892 /nfs/dbraw/zinc/01/48/92/741014892.db2.gz GFJWAGQKUPPBEN-CQSZACIVSA-N 1 2 353.369 2.870 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cccc(F)c2F)CC1 ZINC000981993029 741184235 /nfs/dbraw/zinc/18/42/35/741184235.db2.gz VRISLYQBIGEJQD-WBVHZDCISA-N 1 2 350.409 2.590 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2cccc(F)c2F)CC1 ZINC000981993029 741184237 /nfs/dbraw/zinc/18/42/37/741184237.db2.gz VRISLYQBIGEJQD-WBVHZDCISA-N 1 2 350.409 2.590 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2nc(C)sc2C)CC1 ZINC000982173252 741199143 /nfs/dbraw/zinc/19/91/43/741199143.db2.gz JKZVHHPMNGRVFV-WMZOPIPTSA-N 1 2 363.527 2.775 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2nc(C)sc2C)CC1 ZINC000982173252 741199146 /nfs/dbraw/zinc/19/91/46/741199146.db2.gz JKZVHHPMNGRVFV-WMZOPIPTSA-N 1 2 363.527 2.775 20 30 FFEDLO C#CCOc1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1 ZINC000811514667 741532822 /nfs/dbraw/zinc/53/28/22/741532822.db2.gz OSWJDLBNGBQYKF-UHFFFAOYSA-N 1 2 352.463 2.657 20 30 FFEDLO C#C[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000811898977 741571905 /nfs/dbraw/zinc/57/19/05/741571905.db2.gz XCYYIQBSNANFPO-SJORKVTESA-N 1 2 354.841 2.987 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2nc(C)sc2C)C1 ZINC001015819987 742483669 /nfs/dbraw/zinc/48/36/69/742483669.db2.gz VPJPPLALHFTCNO-RYRKJORJSA-N 1 2 363.527 2.822 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001015819987 742483673 /nfs/dbraw/zinc/48/36/73/742483673.db2.gz VPJPPLALHFTCNO-RYRKJORJSA-N 1 2 363.527 2.822 20 30 FFEDLO C#C[C@@H](NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000820750153 742544967 /nfs/dbraw/zinc/54/49/67/742544967.db2.gz LEEICIDQMSFMAH-CXAGYDPISA-N 1 2 367.852 2.516 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)n1 ZINC001024659663 742732756 /nfs/dbraw/zinc/73/27/56/742732756.db2.gz GQWLEKIVEBNPAE-ZACQAIPSSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)n1 ZINC001024659663 742732758 /nfs/dbraw/zinc/73/27/58/742732758.db2.gz GQWLEKIVEBNPAE-ZACQAIPSSA-N 1 2 363.889 2.797 20 30 FFEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000822496001 742743446 /nfs/dbraw/zinc/74/34/46/742743446.db2.gz WVDYGQSTZGXVRI-BBRMVZONSA-N 1 2 352.837 2.771 20 30 FFEDLO C#CCO[C@H](C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000822496003 742743465 /nfs/dbraw/zinc/74/34/65/742743465.db2.gz WVDYGQSTZGXVRI-CZUORRHYSA-N 1 2 352.837 2.771 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC001027416033 742768296 /nfs/dbraw/zinc/76/82/96/742768296.db2.gz XPEJRINTUIIAFO-KURKYZTESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2csc(C)n2)C1 ZINC001027416033 742768300 /nfs/dbraw/zinc/76/83/00/742768300.db2.gz XPEJRINTUIIAFO-KURKYZTESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1csc(CCC)n1 ZINC001028144801 742786539 /nfs/dbraw/zinc/78/65/39/742786539.db2.gz KVTBWRIHKSNNLN-ZACQAIPSSA-N 1 2 363.527 2.767 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1csc(CCC)n1 ZINC001028144801 742786543 /nfs/dbraw/zinc/78/65/43/742786543.db2.gz KVTBWRIHKSNNLN-ZACQAIPSSA-N 1 2 363.527 2.767 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1csc(C)n1 ZINC001028192894 742789403 /nfs/dbraw/zinc/78/94/03/742789403.db2.gz MNHUSBITGWPGGN-SQNIBIBYSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1csc(C)n1 ZINC001028192894 742789405 /nfs/dbraw/zinc/78/94/05/742789405.db2.gz MNHUSBITGWPGGN-SQNIBIBYSA-N 1 2 363.527 2.903 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033432121 742887540 /nfs/dbraw/zinc/88/75/40/742887540.db2.gz NYMMWFQHBPTCBX-AYBZRNKSSA-N 1 2 360.885 2.649 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033432121 742887549 /nfs/dbraw/zinc/88/75/49/742887549.db2.gz NYMMWFQHBPTCBX-AYBZRNKSSA-N 1 2 360.885 2.649 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2csc(CC)n2)C1 ZINC001046325712 743319533 /nfs/dbraw/zinc/31/95/33/743319533.db2.gz AWVWJJCHUQJVHL-JTDSTZFVSA-N 1 2 363.527 2.767 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2csc(CC)n2)C1 ZINC001046325712 743319541 /nfs/dbraw/zinc/31/95/41/743319541.db2.gz AWVWJJCHUQJVHL-JTDSTZFVSA-N 1 2 363.527 2.767 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=C)Cl)CCC1(F)F ZINC001046943281 743340089 /nfs/dbraw/zinc/34/00/89/743340089.db2.gz CZQKNTZXNXNXCN-KFWWJZLASA-N 1 2 362.848 2.794 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=C)Cl)CCC1(F)F ZINC001046943281 743340097 /nfs/dbraw/zinc/34/00/97/743340097.db2.gz CZQKNTZXNXNXCN-KFWWJZLASA-N 1 2 362.848 2.794 20 30 FFEDLO CCOC(=O)C(C)(C)O[NH+]=Cc1c(Cl)cccc1N1CCOCC1 ZINC000835006093 745931065 /nfs/dbraw/zinc/93/10/65/745931065.db2.gz WZOPQSTZHHZSJA-UHFFFAOYSA-N 1 2 354.834 2.869 20 30 FFEDLO C[C@H](c1ncc(Br)cn1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372024 748016161 /nfs/dbraw/zinc/01/61/61/748016161.db2.gz TYJQBOOWMLJMCX-IAQYHMDHSA-N 1 2 361.243 2.837 20 30 FFEDLO C[C@H](c1ncc(Br)cn1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372024 748016164 /nfs/dbraw/zinc/01/61/64/748016164.db2.gz TYJQBOOWMLJMCX-IAQYHMDHSA-N 1 2 361.243 2.837 20 30 FFEDLO C[C@H](CC(=O)OCC(=O)Nc1ccccc1SCC#N)n1cc[nH+]c1 ZINC000845276901 748217536 /nfs/dbraw/zinc/21/75/36/748217536.db2.gz DMQYEQUZBIQNFK-CYBMUJFWSA-N 1 2 358.423 2.632 20 30 FFEDLO O=C(c1ccc[nH]1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075543486 970897266 /nfs/dbraw/zinc/89/72/66/970897266.db2.gz JFVQXQCQSWRYLZ-QFBILLFUSA-N 1 2 353.853 2.866 20 30 FFEDLO O=C(c1ccc[nH]1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075543486 970897278 /nfs/dbraw/zinc/89/72/78/970897278.db2.gz JFVQXQCQSWRYLZ-QFBILLFUSA-N 1 2 353.853 2.866 20 30 FFEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)c1 ZINC000896359863 971455969 /nfs/dbraw/zinc/45/59/69/971455969.db2.gz AXLOSYJEKBCQSC-KXBFYZLASA-N 1 2 367.453 2.787 20 30 FFEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)c1 ZINC000896359863 971455975 /nfs/dbraw/zinc/45/59/75/971455975.db2.gz AXLOSYJEKBCQSC-KXBFYZLASA-N 1 2 367.453 2.787 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)c1 ZINC000896359861 971456223 /nfs/dbraw/zinc/45/62/23/971456223.db2.gz AXLOSYJEKBCQSC-DNVCBOLYSA-N 1 2 367.453 2.787 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)c1 ZINC000896359861 971456224 /nfs/dbraw/zinc/45/62/24/971456224.db2.gz AXLOSYJEKBCQSC-DNVCBOLYSA-N 1 2 367.453 2.787 20 30 FFEDLO Cc1cccc(OCCON=C(N)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000123940900 1013140236 /nfs/dbraw/zinc/14/02/36/1013140236.db2.gz OYRXRWBQGUCXGR-UHFFFAOYSA-N 1 2 369.465 2.543 20 30 FFEDLO O=C([C@@H]1C[C@H]1C1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(F)cc1 ZINC001029508863 972385374 /nfs/dbraw/zinc/38/53/74/972385374.db2.gz SEVYXMLREBSKGG-JSXRDJHFSA-N 1 2 352.453 2.899 20 30 FFEDLO O=C([C@@H]1C[C@H]1C1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001029508863 972385380 /nfs/dbraw/zinc/38/53/80/972385380.db2.gz SEVYXMLREBSKGG-JSXRDJHFSA-N 1 2 352.453 2.899 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccc(OCC)c(CC)c1)C2 ZINC001275934106 1013207231 /nfs/dbraw/zinc/20/72/31/1013207231.db2.gz WHMROLLHFFWVRB-UHFFFAOYSA-N 1 2 358.482 2.637 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(F)cc2Br)C1=O ZINC001275959440 1013232441 /nfs/dbraw/zinc/23/24/41/1013232441.db2.gz XLHUUKUYKYUVAN-KRWDZBQOSA-N 1 2 365.246 2.788 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(F)cc2Br)C1=O ZINC001275959440 1013232452 /nfs/dbraw/zinc/23/24/52/1013232452.db2.gz XLHUUKUYKYUVAN-KRWDZBQOSA-N 1 2 365.246 2.788 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)cs1 ZINC001095915099 1013263558 /nfs/dbraw/zinc/26/35/58/1013263558.db2.gz VZRIBROVHBHKPN-AOIWGVFYSA-N 1 2 369.465 2.977 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)cs1 ZINC001095915099 1013263566 /nfs/dbraw/zinc/26/35/66/1013263566.db2.gz VZRIBROVHBHKPN-AOIWGVFYSA-N 1 2 369.465 2.977 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000970571299 961741756 /nfs/dbraw/zinc/74/17/56/961741756.db2.gz JFMSNKCQKMREHB-AGRHKRQWSA-N 1 2 364.436 2.883 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970572459 961743296 /nfs/dbraw/zinc/74/32/96/961743296.db2.gz VCRSOJCSDYDEIC-DCPHZVHLSA-N 1 2 371.456 2.615 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970572468 961743380 /nfs/dbraw/zinc/74/33/80/961743380.db2.gz VCRSOJCSDYDEIC-WNYOCNMUSA-N 1 2 371.456 2.615 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(F)cccc1F ZINC001110178142 1013368073 /nfs/dbraw/zinc/36/80/73/1013368073.db2.gz SFDLAWMJSDRTKY-BVGQSLNGSA-N 1 2 350.409 2.779 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(F)cccc1F ZINC001110178142 1013368078 /nfs/dbraw/zinc/36/80/78/1013368078.db2.gz SFDLAWMJSDRTKY-BVGQSLNGSA-N 1 2 350.409 2.779 20 30 FFEDLO N#Cc1ccc(CN2CCC[N@@H+](CC(=O)NCC3CCCCC3)CC2)cc1 ZINC000074193740 962779083 /nfs/dbraw/zinc/77/90/83/962779083.db2.gz JMEUKBRCUXXCLC-UHFFFAOYSA-N 1 2 368.525 2.762 20 30 FFEDLO N#Cc1ccc(CN2CCC[N@H+](CC(=O)NCC3CCCCC3)CC2)cc1 ZINC000074193740 962779097 /nfs/dbraw/zinc/77/90/97/962779097.db2.gz JMEUKBRCUXXCLC-UHFFFAOYSA-N 1 2 368.525 2.762 20 30 FFEDLO CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(C#N)cc1F)C2 ZINC001276083095 1013421842 /nfs/dbraw/zinc/42/18/42/1013421842.db2.gz MOEMGZWMXHZONH-QRWLVFNGSA-N 1 2 359.445 2.547 20 30 FFEDLO CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(C#N)cc1F)C2 ZINC001276083095 1013421855 /nfs/dbraw/zinc/42/18/55/1013421855.db2.gz MOEMGZWMXHZONH-QRWLVFNGSA-N 1 2 359.445 2.547 20 30 FFEDLO C=C(C)C[C@H](NC(C)=O)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000656747639 964081558 /nfs/dbraw/zinc/08/15/58/964081558.db2.gz RLMVNHYRYBULLP-SFHVURJKSA-N 1 2 370.453 2.712 20 30 FFEDLO C=C(C)C[C@@H](NC(C)=O)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000656747637 964082760 /nfs/dbraw/zinc/08/27/60/964082760.db2.gz RLMVNHYRYBULLP-GOSISDBHSA-N 1 2 370.453 2.712 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC001022135874 964422747 /nfs/dbraw/zinc/42/27/47/964422747.db2.gz GZLQANMHPSTXIB-XPIZARPCSA-N 1 2 366.465 2.610 20 30 FFEDLO C=C(C(=O)N1CC2(CC[N@H+]2Cc2ccc(NC(C)=O)cc2)C1)C(F)(F)F ZINC001270007835 964534469 /nfs/dbraw/zinc/53/44/69/964534469.db2.gz FVOSHPCYCMKBQY-UHFFFAOYSA-N 1 2 367.371 2.550 20 30 FFEDLO C=C(C(=O)N1CC2(CC[N@@H+]2Cc2ccc(NC(C)=O)cc2)C1)C(F)(F)F ZINC001270007835 964534477 /nfs/dbraw/zinc/53/44/77/964534477.db2.gz FVOSHPCYCMKBQY-UHFFFAOYSA-N 1 2 367.371 2.550 20 30 FFEDLO Cc1ccn(C)c1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001075729139 964693159 /nfs/dbraw/zinc/69/31/59/964693159.db2.gz PJVAEVCIXUXSDK-QFBILLFUSA-N 1 2 366.440 2.691 20 30 FFEDLO Cc1ccn(C)c1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001075729139 964693163 /nfs/dbraw/zinc/69/31/63/964693163.db2.gz PJVAEVCIXUXSDK-QFBILLFUSA-N 1 2 366.440 2.691 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnc(C)nc2)CCCCC1 ZINC001111484088 965017458 /nfs/dbraw/zinc/01/74/58/965017458.db2.gz VCXZLCBHOMBLSQ-AQNXPRMDSA-N 1 2 366.509 2.980 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnc(C)nc2)CCCCC1 ZINC001111484088 965017468 /nfs/dbraw/zinc/01/74/68/965017468.db2.gz VCXZLCBHOMBLSQ-AQNXPRMDSA-N 1 2 366.509 2.980 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087175663 965103603 /nfs/dbraw/zinc/10/36/03/965103603.db2.gz ZTPLKYQWMPUFGV-ZBFHGGJFSA-N 1 2 359.499 2.556 20 30 FFEDLO C#Cc1nc(Br)cnc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175710203 1013550545 /nfs/dbraw/zinc/55/05/45/1013550545.db2.gz YMJMBZJHUBZNOS-UHFFFAOYSA-N 1 2 358.121 2.960 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)C(C)(F)F)C1 ZINC001087470067 965314296 /nfs/dbraw/zinc/31/42/96/965314296.db2.gz KSWBTIFOQHMPSM-IRXDYDNUSA-N 1 2 350.409 2.648 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)C(C)(F)F)C1 ZINC001087470067 965314304 /nfs/dbraw/zinc/31/43/04/965314304.db2.gz KSWBTIFOQHMPSM-IRXDYDNUSA-N 1 2 350.409 2.648 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2csnc2C)C1 ZINC001087473654 965511611 /nfs/dbraw/zinc/51/16/11/965511611.db2.gz PNCQJFPXUDDYGU-HKUYNNGSSA-N 1 2 369.490 2.681 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2csnc2C)C1 ZINC001087473654 965511618 /nfs/dbraw/zinc/51/16/18/965511618.db2.gz PNCQJFPXUDDYGU-HKUYNNGSSA-N 1 2 369.490 2.681 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)c2coc(C)c2)C1 ZINC001087477479 965701970 /nfs/dbraw/zinc/70/19/70/965701970.db2.gz RHYZDXYDGMJGBI-HKUYNNGSSA-N 1 2 370.424 2.957 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)c2coc(C)c2)C1 ZINC001087477479 965701984 /nfs/dbraw/zinc/70/19/84/965701984.db2.gz RHYZDXYDGMJGBI-HKUYNNGSSA-N 1 2 370.424 2.957 20 30 FFEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075780242 967226128 /nfs/dbraw/zinc/22/61/28/967226128.db2.gz GOMISEJZPCHIGE-AZUAARDMSA-N 1 2 352.865 2.638 20 30 FFEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075780242 967226136 /nfs/dbraw/zinc/22/61/36/967226136.db2.gz GOMISEJZPCHIGE-AZUAARDMSA-N 1 2 352.865 2.638 20 30 FFEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3C[C@H]3Cc3ccccc3)C2)C1 ZINC000972478418 967252909 /nfs/dbraw/zinc/25/29/09/967252909.db2.gz HEKGZNTWIRZRDU-URVUXULASA-N 1 2 354.494 2.745 20 30 FFEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3C[C@H]3Cc3ccccc3)C2)C1 ZINC000972478418 967252918 /nfs/dbraw/zinc/25/29/18/967252918.db2.gz HEKGZNTWIRZRDU-URVUXULASA-N 1 2 354.494 2.745 20 30 FFEDLO CN(Cc1cccs1)c1ccc(C[NH+]2CCN(C(=O)CC#N)CC2)cc1 ZINC000895065190 967347993 /nfs/dbraw/zinc/34/79/93/967347993.db2.gz ABKMXNJDWGDQEQ-UHFFFAOYSA-N 1 2 368.506 2.942 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@H+](CCOc3ccc4c(c3)OCO4)CCO2)cc1 ZINC001176586964 1013727004 /nfs/dbraw/zinc/72/70/04/1013727004.db2.gz HDGINGMGZSJDDU-HXUWFJFHSA-N 1 2 352.390 2.739 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@@H+](CCOc3ccc4c(c3)OCO4)CCO2)cc1 ZINC001176586964 1013727013 /nfs/dbraw/zinc/72/70/13/1013727013.db2.gz HDGINGMGZSJDDU-HXUWFJFHSA-N 1 2 352.390 2.739 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087527750 967687028 /nfs/dbraw/zinc/68/70/28/967687028.db2.gz YIQUMCGKTAJJRK-RBUKOAKNSA-N 1 2 370.884 2.626 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087527750 967687034 /nfs/dbraw/zinc/68/70/34/967687034.db2.gz YIQUMCGKTAJJRK-RBUKOAKNSA-N 1 2 370.884 2.626 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1cnc(Cl)s1 ZINC001087545446 968018796 /nfs/dbraw/zinc/01/87/96/968018796.db2.gz KCLKSYBDEPHUJM-GXTWGEPZSA-N 1 2 363.874 2.779 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1cnc(Cl)s1 ZINC001087545446 968018812 /nfs/dbraw/zinc/01/88/12/968018812.db2.gz KCLKSYBDEPHUJM-GXTWGEPZSA-N 1 2 363.874 2.779 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2csnc2C)[C@H]1CC ZINC001087548182 968037909 /nfs/dbraw/zinc/03/79/09/968037909.db2.gz HRSCGEBOVFGNJD-QWHCGFSZSA-N 1 2 358.305 2.943 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2csnc2C)[C@H]1CC ZINC001087548182 968037917 /nfs/dbraw/zinc/03/79/17/968037917.db2.gz HRSCGEBOVFGNJD-QWHCGFSZSA-N 1 2 358.305 2.943 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccnn2CC)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087553101 968092968 /nfs/dbraw/zinc/09/29/68/968092968.db2.gz OHYFDUJLFOHRPJ-ZWKOTPCHSA-N 1 2 369.444 2.697 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccnn2CC)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087553101 968092979 /nfs/dbraw/zinc/09/29/79/968092979.db2.gz OHYFDUJLFOHRPJ-ZWKOTPCHSA-N 1 2 369.444 2.697 20 30 FFEDLO CCOC(=O)[C@@H]1CCCc2sc(NC(=O)Cc3c[nH]c[nH+]3)c(C#N)c21 ZINC001176827779 1013782343 /nfs/dbraw/zinc/78/23/43/1013782343.db2.gz PSQROIXDBHLJIP-LLVKDONJSA-N 1 2 358.423 2.507 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)o3)[C@@H]2CC)cc1 ZINC001087628443 968413974 /nfs/dbraw/zinc/41/39/74/968413974.db2.gz VVJGUBXSIHRMDQ-ZWKOTPCHSA-N 1 2 370.453 2.726 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)o3)[C@@H]2CC)cc1 ZINC001087628443 968413982 /nfs/dbraw/zinc/41/39/82/968413982.db2.gz VVJGUBXSIHRMDQ-ZWKOTPCHSA-N 1 2 370.453 2.726 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](Cc2nnc(C)o2)[C@@H]1CC ZINC001087628275 968414151 /nfs/dbraw/zinc/41/41/51/968414151.db2.gz LFRBYDJZAVKGLN-DLBZAZTESA-N 1 2 370.453 2.726 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](Cc2nnc(C)o2)[C@@H]1CC ZINC001087628275 968414158 /nfs/dbraw/zinc/41/41/58/968414158.db2.gz LFRBYDJZAVKGLN-DLBZAZTESA-N 1 2 370.453 2.726 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccnc(OC)c2)[C@H]1CC ZINC001087636594 968440413 /nfs/dbraw/zinc/44/04/13/968440413.db2.gz YVTUTHZGORMGSZ-UONOGXRCSA-N 1 2 368.275 2.582 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(OC)c2)[C@H]1CC ZINC001087636594 968440416 /nfs/dbraw/zinc/44/04/16/968440416.db2.gz YVTUTHZGORMGSZ-UONOGXRCSA-N 1 2 368.275 2.582 20 30 FFEDLO C=CCN(Cc1ccccc1)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000685681621 968441476 /nfs/dbraw/zinc/44/14/76/968441476.db2.gz BWZCMJJGRYOIDO-LJQANCHMSA-N 1 2 368.481 2.698 20 30 FFEDLO C=CCN(Cc1ccccc1)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000685681621 968441481 /nfs/dbraw/zinc/44/14/81/968441481.db2.gz BWZCMJJGRYOIDO-LJQANCHMSA-N 1 2 368.481 2.698 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001058572058 968666473 /nfs/dbraw/zinc/66/64/73/968666473.db2.gz XRRARRJCJXYLJP-BQFCYCMXSA-N 1 2 358.486 2.585 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001177014447 1013830339 /nfs/dbraw/zinc/83/03/39/1013830339.db2.gz YNASMWSBVDOAJN-KUHUBIRLSA-N 1 2 353.397 2.638 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(F)cccc2NC(N)=O)[C@H]1CC ZINC001087744383 968850711 /nfs/dbraw/zinc/85/07/11/968850711.db2.gz NRDKDLHYDRIXSN-GXTWGEPZSA-N 1 2 368.840 2.652 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(F)cccc2NC(N)=O)[C@H]1CC ZINC001087744383 968850717 /nfs/dbraw/zinc/85/07/17/968850717.db2.gz NRDKDLHYDRIXSN-GXTWGEPZSA-N 1 2 368.840 2.652 20 30 FFEDLO C[C@@H](C#N)Oc1ccc(CNc2ccc[nH+]c2N2CCC(O)CC2)cc1 ZINC000180298098 969583730 /nfs/dbraw/zinc/58/37/30/969583730.db2.gz JPKIFEIBQJOSFY-HNNXBMFYSA-N 1 2 352.438 2.946 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)c4ccccc4Cl)C3)C2)cc1C#N ZINC001271153755 970361630 /nfs/dbraw/zinc/36/16/30/970361630.db2.gz BDYNUXBFBAFIDG-UHFFFAOYSA-N 1 2 354.841 2.508 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C4CC4)n3C)CC[C@@H]2C1 ZINC001088093078 972713256 /nfs/dbraw/zinc/71/32/56/972713256.db2.gz IOWJLWQCLLEBIF-LLGFUMIMSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C4CC4)n3C)CC[C@@H]2C1 ZINC001088093078 972713265 /nfs/dbraw/zinc/71/32/65/972713265.db2.gz IOWJLWQCLLEBIF-LLGFUMIMSA-N 1 2 371.529 2.575 20 30 FFEDLO Cc1[nH]c(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)[nH+]c1C ZINC000896910171 972859303 /nfs/dbraw/zinc/85/93/03/972859303.db2.gz KFWNIUIBBGIRMM-UHFFFAOYSA-N 1 2 355.417 2.570 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2c(F)cccc2F)C1 ZINC001027584131 974926889 /nfs/dbraw/zinc/92/68/89/974926889.db2.gz HGKMSDVZGOPCDM-KHYOSLBOSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2c(F)cccc2F)C1 ZINC001027584131 974926897 /nfs/dbraw/zinc/92/68/97/974926897.db2.gz HGKMSDVZGOPCDM-KHYOSLBOSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2ccon2)C1 ZINC001087423754 975011229 /nfs/dbraw/zinc/01/12/29/975011229.db2.gz RIWAVWIYNQWQNW-QZTJIDSGSA-N 1 2 359.857 2.944 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2ccon2)C1 ZINC001087423754 975011232 /nfs/dbraw/zinc/01/12/32/975011232.db2.gz RIWAVWIYNQWQNW-QZTJIDSGSA-N 1 2 359.857 2.944 20 30 FFEDLO C[C@@H](C#N)CN(C)C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000876379125 1014245540 /nfs/dbraw/zinc/24/55/40/1014245540.db2.gz GNADCHPCZZPUAU-KRWDZBQOSA-N 1 2 351.454 2.889 20 30 FFEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH2+]CC(C)(C)C#N)o2)CC1 ZINC000893552476 975358616 /nfs/dbraw/zinc/35/86/16/975358616.db2.gz VJTLAGSGRRWYCZ-UHFFFAOYSA-N 1 2 362.474 2.976 20 30 FFEDLO O=C(c1ccon1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075582790 975521364 /nfs/dbraw/zinc/52/13/64/975521364.db2.gz MLWIHKCBKPKUOG-MAUKXSAKSA-N 1 2 355.825 2.526 20 30 FFEDLO O=C(c1ccon1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075582790 975521372 /nfs/dbraw/zinc/52/13/72/975521372.db2.gz MLWIHKCBKPKUOG-MAUKXSAKSA-N 1 2 355.825 2.526 20 30 FFEDLO COCc1ccc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)o1 ZINC001088726344 975632309 /nfs/dbraw/zinc/63/23/09/975632309.db2.gz PNXJCVXBQAJCHH-BEFAXECRSA-N 1 2 370.424 2.809 20 30 FFEDLO COCc1ccc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)o1 ZINC001088726344 975632313 /nfs/dbraw/zinc/63/23/13/975632313.db2.gz PNXJCVXBQAJCHH-BEFAXECRSA-N 1 2 370.424 2.809 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ncoc1C(C)C ZINC001027890844 975702731 /nfs/dbraw/zinc/70/27/31/975702731.db2.gz KPRKEVBKVKMQJG-JZXOWHBKSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncoc1C(C)C ZINC001027890844 975702736 /nfs/dbraw/zinc/70/27/36/975702736.db2.gz KPRKEVBKVKMQJG-JZXOWHBKSA-N 1 2 361.486 2.860 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4nocc4C)C[C@H]32)cc1 ZINC001075958754 975731013 /nfs/dbraw/zinc/73/10/13/975731013.db2.gz WLACUUBKMRHFOA-FXAWDEMLSA-N 1 2 367.449 2.894 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4nocc4C)C[C@H]32)cc1 ZINC001075958754 975731025 /nfs/dbraw/zinc/73/10/25/975731025.db2.gz WLACUUBKMRHFOA-FXAWDEMLSA-N 1 2 367.449 2.894 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)c1 ZINC000981640699 976676748 /nfs/dbraw/zinc/67/67/48/976676748.db2.gz LPZPMZFMEAVPRE-XKGZKEIXSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)c1 ZINC000981640699 976676753 /nfs/dbraw/zinc/67/67/53/976676753.db2.gz LPZPMZFMEAVPRE-XKGZKEIXSA-N 1 2 371.456 2.547 20 30 FFEDLO Cc1ncc(C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)s1 ZINC001075603780 976963280 /nfs/dbraw/zinc/96/32/80/976963280.db2.gz IOCLXTUUDNQJIV-ZWKOTPCHSA-N 1 2 351.475 2.650 20 30 FFEDLO Cc1ncc(C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)s1 ZINC001075603780 976963289 /nfs/dbraw/zinc/96/32/89/976963289.db2.gz IOCLXTUUDNQJIV-ZWKOTPCHSA-N 1 2 351.475 2.650 20 30 FFEDLO COc1cccc(C(=O)N2CCC([N@@H+]3CCC4SC(=O)C=C4C3)CC2)c1 ZINC001167871416 977083888 /nfs/dbraw/zinc/08/38/88/977083888.db2.gz VKHMIOQHQRTHGN-SFHVURJKSA-N 1 2 372.490 2.574 20 30 FFEDLO COc1cccc(C(=O)N2CCC([N@H+]3CCC4SC(=O)C=C4C3)CC2)c1 ZINC001167871416 977083900 /nfs/dbraw/zinc/08/39/00/977083900.db2.gz VKHMIOQHQRTHGN-SFHVURJKSA-N 1 2 372.490 2.574 20 30 FFEDLO COc1cccc(C(=O)N2CCC([N@@H+]3CC[C@@H]4SC(=O)C=C4C3)CC2)c1 ZINC001167871416 977083912 /nfs/dbraw/zinc/08/39/12/977083912.db2.gz VKHMIOQHQRTHGN-SFHVURJKSA-N 1 2 372.490 2.574 20 30 FFEDLO COc1cccc(C(=O)N2CCC([N@H+]3CC[C@@H]4SC(=O)C=C4C3)CC2)c1 ZINC001167871416 977083920 /nfs/dbraw/zinc/08/39/20/977083920.db2.gz VKHMIOQHQRTHGN-SFHVURJKSA-N 1 2 372.490 2.574 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC000982023513 977138696 /nfs/dbraw/zinc/13/86/96/977138696.db2.gz KDKAVODOYXWMKU-SJORKVTESA-N 1 2 371.481 2.568 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC000982023513 977138707 /nfs/dbraw/zinc/13/87/07/977138707.db2.gz KDKAVODOYXWMKU-SJORKVTESA-N 1 2 371.481 2.568 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000982134618 977287487 /nfs/dbraw/zinc/28/74/87/977287487.db2.gz ATGPZCHUMXNVMS-VXKWHMMOSA-N 1 2 366.505 2.944 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000982134618 977287495 /nfs/dbraw/zinc/28/74/95/977287495.db2.gz ATGPZCHUMXNVMS-VXKWHMMOSA-N 1 2 366.505 2.944 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)on3)C[C@H]21 ZINC001075616495 977323792 /nfs/dbraw/zinc/32/37/92/977323792.db2.gz UUPTWMFQWFQYPY-UWWQBHOKSA-N 1 2 350.422 2.534 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)on3)C[C@H]21 ZINC001075616495 977323796 /nfs/dbraw/zinc/32/37/96/977323796.db2.gz UUPTWMFQWFQYPY-UWWQBHOKSA-N 1 2 350.422 2.534 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2csnc2C)C1 ZINC001087454190 977758722 /nfs/dbraw/zinc/75/87/22/977758722.db2.gz HMKIFYLQKCHQAC-SJLPKXTDSA-N 1 2 357.454 2.812 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2csnc2C)C1 ZINC001087454190 977758726 /nfs/dbraw/zinc/75/87/26/977758726.db2.gz HMKIFYLQKCHQAC-SJLPKXTDSA-N 1 2 357.454 2.812 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccc(F)cn2)C1 ZINC001087454668 977766779 /nfs/dbraw/zinc/76/67/79/977766779.db2.gz CFQHIQJJYDKTDK-IEBWSBKVSA-N 1 2 355.388 2.581 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccc(F)cn2)C1 ZINC001087454668 977766785 /nfs/dbraw/zinc/76/67/85/977766785.db2.gz CFQHIQJJYDKTDK-IEBWSBKVSA-N 1 2 355.388 2.581 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(=C)Br)C[C@H]32)cc1 ZINC001076117149 979135640 /nfs/dbraw/zinc/13/56/40/979135640.db2.gz FTXLGHVBWUGLLM-DLBZAZTESA-N 1 2 359.267 2.723 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(=C)Br)C[C@H]32)cc1 ZINC001076117149 979135645 /nfs/dbraw/zinc/13/56/45/979135645.db2.gz FTXLGHVBWUGLLM-DLBZAZTESA-N 1 2 359.267 2.723 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)[C@@H]2C1 ZINC001076347973 979412751 /nfs/dbraw/zinc/41/27/51/979412751.db2.gz OVVLUJBQEHVLEY-CAOSSQGBSA-N 1 2 353.304 2.864 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)[C@@H]2C1 ZINC001076347973 979412753 /nfs/dbraw/zinc/41/27/53/979412753.db2.gz OVVLUJBQEHVLEY-CAOSSQGBSA-N 1 2 353.304 2.864 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3cncc(Cl)c3)[C@@H]2C1 ZINC001076360634 979416560 /nfs/dbraw/zinc/41/65/60/979416560.db2.gz GSDRIDBRNFXVNP-SMDDNHRTSA-N 1 2 370.678 2.790 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cncc(Cl)c3)[C@@H]2C1 ZINC001076360634 979416564 /nfs/dbraw/zinc/41/65/64/979416564.db2.gz GSDRIDBRNFXVNP-SMDDNHRTSA-N 1 2 370.678 2.790 20 30 FFEDLO C[NH+](C)Cc1nc(CSCCNc2nc(Cl)cc(C#N)n2)cs1 ZINC001168109486 979436598 /nfs/dbraw/zinc/43/65/98/979436598.db2.gz VAMSTOLOPDTJNJ-UHFFFAOYSA-N 1 2 368.919 2.865 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCN(C(=O)c4nccs4)[C@@H]3C2)c1 ZINC001076390839 979449442 /nfs/dbraw/zinc/44/94/42/979449442.db2.gz RBVGMGSLKFIMIX-XJKSGUPXSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCN(C(=O)c4nccs4)[C@@H]3C2)c1 ZINC001076390839 979449449 /nfs/dbraw/zinc/44/94/49/979449449.db2.gz RBVGMGSLKFIMIX-XJKSGUPXSA-N 1 2 356.426 2.500 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(OC)cc3OC)[C@@H]2C1 ZINC001076496679 979564304 /nfs/dbraw/zinc/56/43/04/979564304.db2.gz WSJIWSYCMFSFSX-XJKSGUPXSA-N 1 2 350.846 2.603 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(OC)cc3OC)[C@@H]2C1 ZINC001076496679 979564313 /nfs/dbraw/zinc/56/43/13/979564313.db2.gz WSJIWSYCMFSFSX-XJKSGUPXSA-N 1 2 350.846 2.603 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)[C@@H]2C)no1 ZINC001088458207 979694043 /nfs/dbraw/zinc/69/40/43/979694043.db2.gz PJAPDPJRGIZVOM-PBHICJAKSA-N 1 2 357.841 2.881 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)[C@@H]2C)no1 ZINC001088458207 979694048 /nfs/dbraw/zinc/69/40/48/979694048.db2.gz PJAPDPJRGIZVOM-PBHICJAKSA-N 1 2 357.841 2.881 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(OC)c(OC)cc3C)[C@@H]2C1 ZINC001076597182 979696530 /nfs/dbraw/zinc/69/65/30/979696530.db2.gz YKZRQTTYQGILHO-GOEBONIOSA-N 1 2 364.873 2.911 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(OC)c(OC)cc3C)[C@@H]2C1 ZINC001076597182 979696535 /nfs/dbraw/zinc/69/65/35/979696535.db2.gz YKZRQTTYQGILHO-GOEBONIOSA-N 1 2 364.873 2.911 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088463286 979710943 /nfs/dbraw/zinc/71/09/43/979710943.db2.gz NCHJTCSAOPHFCA-PXAZEXFGSA-N 1 2 356.401 2.695 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088463286 979710950 /nfs/dbraw/zinc/71/09/50/979710950.db2.gz NCHJTCSAOPHFCA-PXAZEXFGSA-N 1 2 356.401 2.695 20 30 FFEDLO CCCc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)s1 ZINC001077071081 979986408 /nfs/dbraw/zinc/98/64/08/979986408.db2.gz GWOGKAMCPKFEBE-QZTJIDSGSA-N 1 2 369.490 2.547 20 30 FFEDLO CCCc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)s1 ZINC001077071081 979986413 /nfs/dbraw/zinc/98/64/13/979986413.db2.gz GWOGKAMCPKFEBE-QZTJIDSGSA-N 1 2 369.490 2.547 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)co1 ZINC001088533071 980462498 /nfs/dbraw/zinc/46/24/98/980462498.db2.gz XXPPVBTWSQVZBF-WBMJQRKESA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)co1 ZINC001088533071 980462502 /nfs/dbraw/zinc/46/25/02/980462502.db2.gz XXPPVBTWSQVZBF-WBMJQRKESA-N 1 2 356.401 2.641 20 30 FFEDLO C=CCCC1(CNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CCCC1 ZINC000668552997 980659160 /nfs/dbraw/zinc/65/91/60/980659160.db2.gz YHEDZFBNYYDKBU-UHFFFAOYSA-N 1 2 372.513 2.521 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001059855411 980995521 /nfs/dbraw/zinc/99/55/21/980995521.db2.gz IFDVTYYZGQMWSL-GFIVTLFCSA-N 1 2 370.497 2.704 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[C@@H](C)C(C)C ZINC001212005007 981450501 /nfs/dbraw/zinc/45/05/01/981450501.db2.gz WAHQVFGKFFJYKO-NSISKUIASA-N 1 2 360.473 2.675 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[C@@H](C)C(C)C ZINC001212005007 981450505 /nfs/dbraw/zinc/45/05/05/981450505.db2.gz WAHQVFGKFFJYKO-NSISKUIASA-N 1 2 360.473 2.675 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnc(C3CC3)o2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088629415 982020634 /nfs/dbraw/zinc/02/06/34/982020634.db2.gz XCKGHKOPOTUNFC-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnc(C3CC3)o2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088629415 982020642 /nfs/dbraw/zinc/02/06/42/982020642.db2.gz XCKGHKOPOTUNFC-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000910780913 982062388 /nfs/dbraw/zinc/06/23/88/982062388.db2.gz KHBSJTVEWHKSHG-NRFANRHFSA-N 1 2 370.456 2.727 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000910780913 982062396 /nfs/dbraw/zinc/06/23/96/982062396.db2.gz KHBSJTVEWHKSHG-NRFANRHFSA-N 1 2 370.456 2.727 20 30 FFEDLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccnn3C)C2)cc1OCCCC#N ZINC000897558034 982247105 /nfs/dbraw/zinc/24/71/05/982247105.db2.gz DOGBRFFEONKJGD-FQEVSTJZSA-N 1 2 370.453 2.685 20 30 FFEDLO COc1ccc(C[N@H+]2CCO[C@H](c3ccnn3C)C2)cc1OCCCC#N ZINC000897558034 982247108 /nfs/dbraw/zinc/24/71/08/982247108.db2.gz DOGBRFFEONKJGD-FQEVSTJZSA-N 1 2 370.453 2.685 20 30 FFEDLO C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nccn1C(F)F)CC2 ZINC001107386078 984496542 /nfs/dbraw/zinc/49/65/42/984496542.db2.gz GFRGGUHBZJHJRJ-DNVCBOLYSA-N 1 2 364.440 2.943 20 30 FFEDLO C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nccn1C(F)F)CC2 ZINC001107386078 984496543 /nfs/dbraw/zinc/49/65/43/984496543.db2.gz GFRGGUHBZJHJRJ-DNVCBOLYSA-N 1 2 364.440 2.943 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N(c2ccccc2)C(C)C)cc1 ZINC000060455613 984912185 /nfs/dbraw/zinc/91/21/85/984912185.db2.gz QIKYBPYKPIKSFW-UHFFFAOYSA-N 1 2 355.438 2.968 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ocnc2C(F)F)CC[N@@H+]1Cc1ccccc1C#N ZINC001088863154 985107470 /nfs/dbraw/zinc/10/74/70/985107470.db2.gz NPEPMLQUHADYPL-RISCZKNCSA-N 1 2 360.364 2.877 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ocnc2C(F)F)CC[N@H+]1Cc1ccccc1C#N ZINC001088863154 985107474 /nfs/dbraw/zinc/10/74/74/985107474.db2.gz NPEPMLQUHADYPL-RISCZKNCSA-N 1 2 360.364 2.877 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088940397 985529739 /nfs/dbraw/zinc/52/97/39/985529739.db2.gz SLFTVTJIGXTPPA-PXAZEXFGSA-N 1 2 356.376 2.624 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088940397 985529745 /nfs/dbraw/zinc/52/97/45/985529745.db2.gz SLFTVTJIGXTPPA-PXAZEXFGSA-N 1 2 356.376 2.624 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)c(C)o1 ZINC001088938253 985538832 /nfs/dbraw/zinc/53/88/32/985538832.db2.gz DMNABEQCYJECPO-DIFFPNOSSA-N 1 2 356.401 2.695 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)c(C)o1 ZINC001088938253 985538834 /nfs/dbraw/zinc/53/88/34/985538834.db2.gz DMNABEQCYJECPO-DIFFPNOSSA-N 1 2 356.401 2.695 20 30 FFEDLO C=C1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C3)CC1 ZINC000997813445 985757454 /nfs/dbraw/zinc/75/74/54/985757454.db2.gz ODRPCZMDGZDMTI-RXYDEIHYSA-N 1 2 368.481 2.508 20 30 FFEDLO C=C1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C3)CC1 ZINC000997813445 985757464 /nfs/dbraw/zinc/75/74/64/985757464.db2.gz ODRPCZMDGZDMTI-RXYDEIHYSA-N 1 2 368.481 2.508 20 30 FFEDLO C[C@@H]1C[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)[C@@H]1c1ccccc1 ZINC000173460266 985831318 /nfs/dbraw/zinc/83/13/18/985831318.db2.gz VWCITNWCZDNUAM-IERDGZPVSA-N 1 2 374.444 2.973 20 30 FFEDLO C[C@@H]1C[N@@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)[C@@H]1c1ccccc1 ZINC000173460266 985831329 /nfs/dbraw/zinc/83/13/29/985831329.db2.gz VWCITNWCZDNUAM-IERDGZPVSA-N 1 2 374.444 2.973 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000063730249 986023534 /nfs/dbraw/zinc/02/35/34/986023534.db2.gz DASMFRXEEDZXKH-UHFFFAOYSA-N 1 2 365.393 2.922 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000063730249 986023547 /nfs/dbraw/zinc/02/35/47/986023547.db2.gz DASMFRXEEDZXKH-UHFFFAOYSA-N 1 2 365.393 2.922 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000073603704 986059737 /nfs/dbraw/zinc/05/97/37/986059737.db2.gz TZHKMAJXFDMAFJ-MRXNPFEDSA-N 1 2 360.458 2.530 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CC23CCOCC3)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001089086774 986286941 /nfs/dbraw/zinc/28/69/41/986286941.db2.gz FPCCTHSLNRIWFB-ZMYBRWDISA-N 1 2 371.456 2.593 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CC23CCOCC3)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001089086774 986286951 /nfs/dbraw/zinc/28/69/51/986286951.db2.gz FPCCTHSLNRIWFB-ZMYBRWDISA-N 1 2 371.456 2.593 20 30 FFEDLO C[C@@H](C[NH+]1CCN(c2ccc(C#N)cc2F)CC1)NC(=O)OC(C)(C)C ZINC000785444718 986373812 /nfs/dbraw/zinc/37/38/12/986373812.db2.gz TUHVDVLGMDQQMI-AWEZNQCLSA-N 1 2 362.449 2.733 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(C(=O)c2ccc(Cl)s2)C3)cc1C#N ZINC001272294578 986422648 /nfs/dbraw/zinc/42/26/48/986422648.db2.gz BEDQESNRDADNNC-HIFRSBDPSA-N 1 2 374.897 2.958 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(C(=O)c2ccc(Cl)s2)C3)cc1C#N ZINC001272294578 986422653 /nfs/dbraw/zinc/42/26/53/986422653.db2.gz BEDQESNRDADNNC-HIFRSBDPSA-N 1 2 374.897 2.958 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1ncc(C3CC3)o1)CC2 ZINC000992174350 986491423 /nfs/dbraw/zinc/49/14/23/986491423.db2.gz DKEZKZRROVWFHQ-JQZBISMTSA-N 1 2 371.481 2.756 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1ncc(C3CC3)o1)CC2 ZINC000992174350 986491425 /nfs/dbraw/zinc/49/14/25/986491425.db2.gz DKEZKZRROVWFHQ-JQZBISMTSA-N 1 2 371.481 2.756 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C#N)n(C)c2)oc1C ZINC001272318764 986491612 /nfs/dbraw/zinc/49/16/12/986491612.db2.gz SZMYKVJGRZSWHQ-CALCHBBNSA-N 1 2 352.438 2.596 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C#N)n(C)c2)oc1C ZINC001272318764 986491618 /nfs/dbraw/zinc/49/16/18/986491618.db2.gz SZMYKVJGRZSWHQ-CALCHBBNSA-N 1 2 352.438 2.596 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1csc(C)n1 ZINC001089228834 986620460 /nfs/dbraw/zinc/62/04/60/986620460.db2.gz PBRHFGSALHTANF-KSZLIROESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1csc(C)n1 ZINC001089228834 986620464 /nfs/dbraw/zinc/62/04/64/986620464.db2.gz PBRHFGSALHTANF-KSZLIROESA-N 1 2 363.527 2.856 20 30 FFEDLO N#Cc1c(C(F)(F)F)cc(Cl)nc1NCC1([NH+]2CCCC2)COC1 ZINC001168441638 986803408 /nfs/dbraw/zinc/80/34/08/986803408.db2.gz ATDCJRVXSAEPRI-UHFFFAOYSA-N 1 2 360.767 2.902 20 30 FFEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000878888715 1015269903 /nfs/dbraw/zinc/26/99/03/1015269903.db2.gz ODRCKEUYEYQJHO-RXVVDRJESA-N 1 2 355.482 2.915 20 30 FFEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000878888715 1015269908 /nfs/dbraw/zinc/26/99/08/1015269908.db2.gz ODRCKEUYEYQJHO-RXVVDRJESA-N 1 2 355.482 2.915 20 30 FFEDLO N#Cc1ccc(C2CC[NH+](CCS(=O)(=O)Cc3ccccc3)CC2)nc1 ZINC000879022925 1015328618 /nfs/dbraw/zinc/32/86/18/1015328618.db2.gz CIOQZVZOXROOGL-UHFFFAOYSA-N 1 2 369.490 2.748 20 30 FFEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000914606246 987813887 /nfs/dbraw/zinc/81/38/87/987813887.db2.gz OLRKVQMFXGMMBT-UHFFFAOYSA-N 1 2 363.421 2.756 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1[C@H]1Cc2cccc(Cl)c2C1 ZINC001168722733 988407658 /nfs/dbraw/zinc/40/76/58/988407658.db2.gz WJHOBHIXIFNDFJ-KSSFIOAISA-N 1 2 358.873 2.738 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1[C@H]1Cc2cccc(Cl)c2C1 ZINC001168722733 988407664 /nfs/dbraw/zinc/40/76/64/988407664.db2.gz WJHOBHIXIFNDFJ-KSSFIOAISA-N 1 2 358.873 2.738 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108067136 988710896 /nfs/dbraw/zinc/71/08/96/988710896.db2.gz UHRDSHZOGVSETO-WOIUINJBSA-N 1 2 369.509 2.948 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108067136 988710900 /nfs/dbraw/zinc/71/09/00/988710900.db2.gz UHRDSHZOGVSETO-WOIUINJBSA-N 1 2 369.509 2.948 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC001033085622 988755069 /nfs/dbraw/zinc/75/50/69/988755069.db2.gz ACUYNEWOEVRXED-ZACQAIPSSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ncc(C(C)C)o2)C1 ZINC001033085622 988755075 /nfs/dbraw/zinc/75/50/75/988755075.db2.gz ACUYNEWOEVRXED-ZACQAIPSSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001033087570 988767813 /nfs/dbraw/zinc/76/78/13/988767813.db2.gz WLLMMRGZKZXMEQ-KHYOSLBOSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001033087570 988767822 /nfs/dbraw/zinc/76/78/22/988767822.db2.gz WLLMMRGZKZXMEQ-KHYOSLBOSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC001033087672 988769017 /nfs/dbraw/zinc/76/90/17/988769017.db2.gz YAXLNZPZARFXAA-LMMKCTJWSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001033087672 988769030 /nfs/dbraw/zinc/76/90/30/988769030.db2.gz YAXLNZPZARFXAA-LMMKCTJWSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001033955375 989854632 /nfs/dbraw/zinc/85/46/32/989854632.db2.gz ZWGQWDKYDXVZEF-CLCXKQKWSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001033955375 989854642 /nfs/dbraw/zinc/85/46/42/989854642.db2.gz ZWGQWDKYDXVZEF-CLCXKQKWSA-N 1 2 364.436 2.979 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001006033918 991033170 /nfs/dbraw/zinc/03/31/70/991033170.db2.gz XSCYJZCZAZCWAR-AQNXPRMDSA-N 1 2 371.456 2.688 20 30 FFEDLO Cn1cc([C@@H]2C[C@@H](C(=O)OC(C)(C)C)C[N@H+](C[C@H](C#N)CCC#N)C2)cn1 ZINC000879607860 1015609249 /nfs/dbraw/zinc/60/92/49/1015609249.db2.gz ODZJSWGXJFMRAS-GVDBMIGSSA-N 1 2 371.485 2.611 20 30 FFEDLO Cn1cc([C@@H]2C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](C[C@H](C#N)CCC#N)C2)cn1 ZINC000879607860 1015609254 /nfs/dbraw/zinc/60/92/54/1015609254.db2.gz ODZJSWGXJFMRAS-GVDBMIGSSA-N 1 2 371.485 2.611 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001060755835 991315391 /nfs/dbraw/zinc/31/53/91/991315391.db2.gz RIMTZYBWGZXXST-QBPKDAKJSA-N 1 2 370.497 2.661 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001060755835 991315398 /nfs/dbraw/zinc/31/53/98/991315398.db2.gz RIMTZYBWGZXXST-QBPKDAKJSA-N 1 2 370.497 2.661 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1n1ccnn1 ZINC001129294352 991327872 /nfs/dbraw/zinc/32/78/72/991327872.db2.gz RHVKSJCJWPPWGU-MSOLQXFVSA-N 1 2 371.460 2.561 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1n1ccnn1 ZINC001129294352 991327884 /nfs/dbraw/zinc/32/78/84/991327884.db2.gz RHVKSJCJWPPWGU-MSOLQXFVSA-N 1 2 371.460 2.561 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879689015 1015640034 /nfs/dbraw/zinc/64/00/34/1015640034.db2.gz JGRRSGYIANPBFP-AEFFLSMTSA-N 1 2 367.497 2.597 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879689015 1015640038 /nfs/dbraw/zinc/64/00/38/1015640038.db2.gz JGRRSGYIANPBFP-AEFFLSMTSA-N 1 2 367.497 2.597 20 30 FFEDLO N#Cc1cccnc1NCC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001063853181 991556664 /nfs/dbraw/zinc/55/66/64/991556664.db2.gz NETMHMUCVIUBNU-GVDBMIGSSA-N 1 2 364.453 2.663 20 30 FFEDLO N#Cc1cccnc1NCC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001063853181 991556675 /nfs/dbraw/zinc/55/66/75/991556675.db2.gz NETMHMUCVIUBNU-GVDBMIGSSA-N 1 2 364.453 2.663 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cc(C)[nH+]c(CC)n1 ZINC001064542295 991635944 /nfs/dbraw/zinc/63/59/44/991635944.db2.gz PYWRSYQBSGLPJP-XDNAFOTISA-N 1 2 370.497 2.508 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2nc(C)c(C)s2)C[C@H]1OC ZINC001212324777 991682011 /nfs/dbraw/zinc/68/20/11/991682011.db2.gz GLDWYUQKJAQUBP-HUUCEWRRSA-N 1 2 351.516 2.678 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2nc(C)c(C)s2)C[C@H]1OC ZINC001212324777 991682016 /nfs/dbraw/zinc/68/20/16/991682016.db2.gz GLDWYUQKJAQUBP-HUUCEWRRSA-N 1 2 351.516 2.678 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001212338814 991729095 /nfs/dbraw/zinc/72/90/95/991729095.db2.gz SMBZXVNSPBMKLX-QZTJIDSGSA-N 1 2 359.445 2.615 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001212338814 991729104 /nfs/dbraw/zinc/72/91/04/991729104.db2.gz SMBZXVNSPBMKLX-QZTJIDSGSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2(C)C)CC1 ZINC001008548383 1015655349 /nfs/dbraw/zinc/65/53/49/1015655349.db2.gz FRVNGFABKURJKU-JFIYKMOQSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2(C)C)CC1 ZINC001008548383 1015655354 /nfs/dbraw/zinc/65/53/54/1015655354.db2.gz FRVNGFABKURJKU-JFIYKMOQSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001065182891 991769557 /nfs/dbraw/zinc/76/95/57/991769557.db2.gz GAIJPXMMQSGWQI-LVCYWYKZSA-N 1 2 370.497 2.585 20 30 FFEDLO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(F)s2)C1 ZINC001079147236 991804939 /nfs/dbraw/zinc/80/49/39/991804939.db2.gz DQCXHOSKYKVPOB-HZPDHXFCSA-N 1 2 360.454 2.761 20 30 FFEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(F)s2)C1 ZINC001079147236 991804945 /nfs/dbraw/zinc/80/49/45/991804945.db2.gz DQCXHOSKYKVPOB-HZPDHXFCSA-N 1 2 360.454 2.761 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C3CCCCC3)C2)c1 ZINC001079370770 992071178 /nfs/dbraw/zinc/07/11/78/992071178.db2.gz IWCYAXGVWAQOPT-OXQOHEQNSA-N 1 2 367.493 2.623 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C3CCCCC3)C2)c1 ZINC001079370770 992071190 /nfs/dbraw/zinc/07/11/90/992071190.db2.gz IWCYAXGVWAQOPT-OXQOHEQNSA-N 1 2 367.493 2.623 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1ccc(F)nc1 ZINC001079498645 992164333 /nfs/dbraw/zinc/16/43/33/992164333.db2.gz KUPZVSNAWBRPEO-RDTXWAMCSA-N 1 2 371.843 2.976 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1ccc(F)nc1 ZINC001079498645 992164339 /nfs/dbraw/zinc/16/43/39/992164339.db2.gz KUPZVSNAWBRPEO-RDTXWAMCSA-N 1 2 371.843 2.976 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)c1ncccc1O ZINC001079611370 992242740 /nfs/dbraw/zinc/24/27/40/992242740.db2.gz ZYSWZSWBXMOXRT-RHSMWYFYSA-N 1 2 369.852 2.542 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)c1ncccc1O ZINC001079611370 992242748 /nfs/dbraw/zinc/24/27/48/992242748.db2.gz ZYSWZSWBXMOXRT-RHSMWYFYSA-N 1 2 369.852 2.542 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCO[C@H]2C(C)C)C1 ZINC001079722910 992359131 /nfs/dbraw/zinc/35/91/31/992359131.db2.gz SGLOBTPNFNYHTA-BVUBDWEXSA-N 1 2 373.335 2.783 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCO[C@H]2C(C)C)C1 ZINC001079722910 992359141 /nfs/dbraw/zinc/35/91/41/992359141.db2.gz SGLOBTPNFNYHTA-BVUBDWEXSA-N 1 2 373.335 2.783 20 30 FFEDLO CCc1ncsc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001079813134 992444320 /nfs/dbraw/zinc/44/43/20/992444320.db2.gz LXKDZUROPQWZQX-CRAIPNDOSA-N 1 2 353.491 2.807 20 30 FFEDLO CCc1ncsc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001079813134 992444325 /nfs/dbraw/zinc/44/43/25/992444325.db2.gz LXKDZUROPQWZQX-CRAIPNDOSA-N 1 2 353.491 2.807 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](Cc2nocc2C)C[C@H]1C ZINC001079977663 992638093 /nfs/dbraw/zinc/63/80/93/992638093.db2.gz DKRRKMWIYOTQQT-RHSMWYFYSA-N 1 2 355.438 2.798 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+](Cc2nocc2C)C[C@H]1C ZINC001079977663 992638098 /nfs/dbraw/zinc/63/80/98/992638098.db2.gz DKRRKMWIYOTQQT-RHSMWYFYSA-N 1 2 355.438 2.798 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(Cl)n3)C[C@H]2C)cc1 ZINC001080244988 992868959 /nfs/dbraw/zinc/86/89/59/992868959.db2.gz VALFXHWZOGWOMI-RDTXWAMCSA-N 1 2 353.853 2.967 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(Cl)n3)C[C@H]2C)cc1 ZINC001080244988 992868966 /nfs/dbraw/zinc/86/89/66/992868966.db2.gz VALFXHWZOGWOMI-RDTXWAMCSA-N 1 2 353.853 2.967 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(Cl)nc3)C[C@H]2C)cc1 ZINC001080244766 992868981 /nfs/dbraw/zinc/86/89/81/992868981.db2.gz LJFCKCLLPVZAKT-RDTXWAMCSA-N 1 2 353.853 2.967 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(Cl)nc3)C[C@H]2C)cc1 ZINC001080244766 992868986 /nfs/dbraw/zinc/86/89/86/992868986.db2.gz LJFCKCLLPVZAKT-RDTXWAMCSA-N 1 2 353.853 2.967 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3c(C)nn(C)c3Cl)C[C@H]2C)cc1 ZINC001080244999 992869137 /nfs/dbraw/zinc/86/91/37/992869137.db2.gz VWMLVBANSFWZRW-FZKQIMNGSA-N 1 2 370.884 2.614 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3c(C)nn(C)c3Cl)C[C@H]2C)cc1 ZINC001080244999 992869142 /nfs/dbraw/zinc/86/91/42/992869142.db2.gz VWMLVBANSFWZRW-FZKQIMNGSA-N 1 2 370.884 2.614 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC001080299698 992902230 /nfs/dbraw/zinc/90/22/30/992902230.db2.gz AZLCBKOBLXQHCO-IAQYHMDHSA-N 1 2 354.292 2.926 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC001080299698 992902235 /nfs/dbraw/zinc/90/22/35/992902235.db2.gz AZLCBKOBLXQHCO-IAQYHMDHSA-N 1 2 354.292 2.926 20 30 FFEDLO Cc1nocc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC001080375802 993018300 /nfs/dbraw/zinc/01/83/00/993018300.db2.gz DGXSEQHXVWIGOA-FZKQIMNGSA-N 1 2 357.841 2.738 20 30 FFEDLO Cc1nocc1C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC001080375802 993018305 /nfs/dbraw/zinc/01/83/05/993018305.db2.gz DGXSEQHXVWIGOA-FZKQIMNGSA-N 1 2 357.841 2.738 20 30 FFEDLO Cc1cc(C)c(C(=O)NC[C@]23CCC[C@H]2N(C(=O)[C@H](C)C#N)CC3)c(C)[nH+]1 ZINC000995363155 993054849 /nfs/dbraw/zinc/05/48/49/993054849.db2.gz CUUBDWJXUDABDU-SOIKWTOOSA-N 1 2 368.481 2.668 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1ocnc1C1CC1 ZINC001080438197 993056155 /nfs/dbraw/zinc/05/61/55/993056155.db2.gz LKLDTGBKSCUQSY-SJKOYZFVSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1ocnc1C1CC1 ZINC001080438197 993056160 /nfs/dbraw/zinc/05/61/60/993056160.db2.gz LKLDTGBKSCUQSY-SJKOYZFVSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1noc2c1CCCC2 ZINC001080504608 993128341 /nfs/dbraw/zinc/12/83/41/993128341.db2.gz NZDNLZWEXDRJAC-RDTXWAMCSA-N 1 2 364.449 2.675 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1noc2c1CCCC2 ZINC001080504608 993128344 /nfs/dbraw/zinc/12/83/44/993128344.db2.gz NZDNLZWEXDRJAC-RDTXWAMCSA-N 1 2 364.449 2.675 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001080598489 993217561 /nfs/dbraw/zinc/21/75/61/993217561.db2.gz DOVLJWKNQVIVDJ-VUNQQRPYSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001080598489 993217570 /nfs/dbraw/zinc/21/75/70/993217570.db2.gz DOVLJWKNQVIVDJ-VUNQQRPYSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CCC)c2C2CC2)C1 ZINC001080748104 993326057 /nfs/dbraw/zinc/32/60/57/993326057.db2.gz PYPZCDWVFVGMQO-MLGOLLRUSA-N 1 2 350.894 2.973 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CCC)c2C2CC2)C1 ZINC001080748104 993326060 /nfs/dbraw/zinc/32/60/60/993326060.db2.gz PYPZCDWVFVGMQO-MLGOLLRUSA-N 1 2 350.894 2.973 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccccc2OC)C1 ZINC001080900474 993463054 /nfs/dbraw/zinc/46/30/54/993463054.db2.gz PAYVDWQASVDVLI-IUODEOHRSA-N 1 2 367.287 2.583 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccccc2OC)C1 ZINC001080900474 993463058 /nfs/dbraw/zinc/46/30/58/993463058.db2.gz PAYVDWQASVDVLI-IUODEOHRSA-N 1 2 367.287 2.583 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001080923606 993503461 /nfs/dbraw/zinc/50/34/61/993503461.db2.gz JUHCTUMXRAEDJJ-SJKOYZFVSA-N 1 2 370.428 2.807 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001080923606 993503466 /nfs/dbraw/zinc/50/34/66/993503466.db2.gz JUHCTUMXRAEDJJ-SJKOYZFVSA-N 1 2 370.428 2.807 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COc3ccccc32)C1 ZINC001081039145 993563392 /nfs/dbraw/zinc/56/33/92/993563392.db2.gz FOJMKLIVHMOGEW-KCPJHIHWSA-N 1 2 365.271 2.508 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COc3ccccc32)C1 ZINC001081039145 993563397 /nfs/dbraw/zinc/56/33/97/993563397.db2.gz FOJMKLIVHMOGEW-KCPJHIHWSA-N 1 2 365.271 2.508 20 30 FFEDLO C=CCCC(=O)N1CCC(CN(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001081060869 993575297 /nfs/dbraw/zinc/57/52/97/993575297.db2.gz VZDAZKDVRZFRRH-IAGOWNOFSA-N 1 2 358.486 2.567 20 30 FFEDLO C=CCCC(=O)N1CCC(CN(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001081060869 993575303 /nfs/dbraw/zinc/57/53/03/993575303.db2.gz VZDAZKDVRZFRRH-IAGOWNOFSA-N 1 2 358.486 2.567 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)c1ccccc1 ZINC001081296388 993790616 /nfs/dbraw/zinc/79/06/16/993790616.db2.gz OMDKYAHAIHSXNS-WOJBJXKFSA-N 1 2 368.864 2.821 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)c1ccccc1 ZINC001081296388 993790623 /nfs/dbraw/zinc/79/06/23/993790623.db2.gz OMDKYAHAIHSXNS-WOJBJXKFSA-N 1 2 368.864 2.821 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1cc(C)oc1C ZINC001081345348 993805141 /nfs/dbraw/zinc/80/51/41/993805141.db2.gz GZFRSUIECPHTLU-RTBURBONSA-N 1 2 371.412 2.536 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1cc(C)oc1C ZINC001081345348 993805149 /nfs/dbraw/zinc/80/51/49/993805149.db2.gz GZFRSUIECPHTLU-RTBURBONSA-N 1 2 371.412 2.536 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C1=CCCCCC1 ZINC001081591317 993903111 /nfs/dbraw/zinc/90/31/11/993903111.db2.gz OIHKZJNJRJDBDQ-NHCUHLMSSA-N 1 2 370.468 2.883 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C1=CCCCCC1 ZINC001081591317 993903118 /nfs/dbraw/zinc/90/31/18/993903118.db2.gz OIHKZJNJRJDBDQ-NHCUHLMSSA-N 1 2 370.468 2.883 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C1(C2CC2)CCC1 ZINC001081989311 994086999 /nfs/dbraw/zinc/08/69/99/994086999.db2.gz GYXCHLZFLYGZNB-RTBURBONSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C1(C2CC2)CCC1 ZINC001081989311 994087009 /nfs/dbraw/zinc/08/70/09/994087009.db2.gz GYXCHLZFLYGZNB-RTBURBONSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1(C2CCC2)CCC1 ZINC001081995127 994089341 /nfs/dbraw/zinc/08/93/41/994089341.db2.gz ABESWVVIACYKGH-WOJBJXKFSA-N 1 2 367.493 2.844 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1(C2CCC2)CCC1 ZINC001081995127 994089350 /nfs/dbraw/zinc/08/93/50/994089350.db2.gz ABESWVVIACYKGH-WOJBJXKFSA-N 1 2 367.493 2.844 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C1(C)CCCC1 ZINC001081997567 994094728 /nfs/dbraw/zinc/09/47/28/994094728.db2.gz FOCNJRDJOOZKQI-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C1(C)CCCC1 ZINC001081997567 994094737 /nfs/dbraw/zinc/09/47/37/994094737.db2.gz FOCNJRDJOOZKQI-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ccoc1C1CC1 ZINC001082066533 994142117 /nfs/dbraw/zinc/14/21/17/994142117.db2.gz WUCMCSXIZUOUES-IAGOWNOFSA-N 1 2 371.462 2.719 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ccoc1C1CC1 ZINC001082066533 994142123 /nfs/dbraw/zinc/14/21/23/994142123.db2.gz WUCMCSXIZUOUES-IAGOWNOFSA-N 1 2 371.462 2.719 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H](C)c1ccc(C)o1 ZINC001082213223 994278218 /nfs/dbraw/zinc/27/82/18/994278218.db2.gz QNQKGUQMTJOEMM-YFVAEKQCSA-N 1 2 366.461 2.559 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H](C)c1ccc(C)o1 ZINC001082213223 994278223 /nfs/dbraw/zinc/27/82/23/994278223.db2.gz QNQKGUQMTJOEMM-YFVAEKQCSA-N 1 2 366.461 2.559 20 30 FFEDLO CCCc1occc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001082325222 994389611 /nfs/dbraw/zinc/38/96/11/994389611.db2.gz XLGFFFGKNIUBLL-TZIWHRDSSA-N 1 2 366.461 2.713 20 30 FFEDLO CCCc1occc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001082325222 994389623 /nfs/dbraw/zinc/38/96/23/994389623.db2.gz XLGFFFGKNIUBLL-TZIWHRDSSA-N 1 2 366.461 2.713 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C1CCC=CCC1 ZINC001082374831 994478254 /nfs/dbraw/zinc/47/82/54/994478254.db2.gz RFWMWVGUZYEYOL-WOJBJXKFSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C1CCC=CCC1 ZINC001082374831 994478260 /nfs/dbraw/zinc/47/82/60/994478260.db2.gz RFWMWVGUZYEYOL-WOJBJXKFSA-N 1 2 371.456 2.759 20 30 FFEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1)CO2 ZINC001053929586 1015905326 /nfs/dbraw/zinc/90/53/26/1015905326.db2.gz DHNNWZIYEQJZNJ-PWRODBHTSA-N 1 2 366.505 2.943 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3sccc3C#N)C2)c1 ZINC001132589542 995017738 /nfs/dbraw/zinc/01/77/38/995017738.db2.gz QMJMOUFZJQMBKU-KRWDZBQOSA-N 1 2 355.463 2.559 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3sccc3C#N)C2)c1 ZINC001132589542 995017747 /nfs/dbraw/zinc/01/77/47/995017747.db2.gz QMJMOUFZJQMBKU-KRWDZBQOSA-N 1 2 355.463 2.559 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)c1C ZINC000749153276 1015924388 /nfs/dbraw/zinc/92/43/88/1015924388.db2.gz LYVATBKTZKPCKB-SFHVURJKSA-N 1 2 357.498 2.951 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCC[C@H]2CN2CCCC2=O)c1C ZINC000749153276 1015924400 /nfs/dbraw/zinc/92/44/00/1015924400.db2.gz LYVATBKTZKPCKB-SFHVURJKSA-N 1 2 357.498 2.951 20 30 FFEDLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@](C)(C#N)C2)CN1C(=O)OC(C)(C)C ZINC001170650997 995303581 /nfs/dbraw/zinc/30/35/81/995303581.db2.gz FPQUVXDXPXSDCY-VCBZYWHSSA-N 1 2 365.474 2.553 20 30 FFEDLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@@](C)(C#N)C2)CN1C(=O)OC(C)(C)C ZINC001170650997 995303586 /nfs/dbraw/zinc/30/35/86/995303586.db2.gz FPQUVXDXPXSDCY-VCBZYWHSSA-N 1 2 365.474 2.553 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812852238 995554764 /nfs/dbraw/zinc/55/47/64/995554764.db2.gz DUGCICYGFVEBOI-OXQOHEQNSA-N 1 2 372.490 2.776 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812852238 995554772 /nfs/dbraw/zinc/55/47/72/995554772.db2.gz DUGCICYGFVEBOI-OXQOHEQNSA-N 1 2 372.490 2.776 20 30 FFEDLO N#Cc1cc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c(F)cc1F ZINC000880715746 1015957582 /nfs/dbraw/zinc/95/75/82/1015957582.db2.gz GPQQPVFWMRQAJN-CQSZACIVSA-N 1 2 364.396 2.555 20 30 FFEDLO CC1(C)CC[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001083170258 996135171 /nfs/dbraw/zinc/13/51/71/996135171.db2.gz WSFGPNGOHKRVLJ-NZSAHSFTSA-N 1 2 371.456 2.545 20 30 FFEDLO CC1(C)CC[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001083170258 996135174 /nfs/dbraw/zinc/13/51/74/996135174.db2.gz WSFGPNGOHKRVLJ-NZSAHSFTSA-N 1 2 371.456 2.545 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccc(F)nc4)[C@@H]3C2)s1 ZINC001084237034 996385989 /nfs/dbraw/zinc/38/59/89/996385989.db2.gz YZRPZDYXHHIUPT-CZUORRHYSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(F)nc4)[C@@H]3C2)s1 ZINC001084237034 996385992 /nfs/dbraw/zinc/38/59/92/996385992.db2.gz YZRPZDYXHHIUPT-CZUORRHYSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(F)cc(F)c4)C[C@H]32)c1 ZINC001084261364 996406115 /nfs/dbraw/zinc/40/61/15/996406115.db2.gz GYRYTEOPEDEBNS-RDTXWAMCSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(F)cc(F)c4)C[C@H]32)c1 ZINC001084261364 996406118 /nfs/dbraw/zinc/40/61/18/996406118.db2.gz GYRYTEOPEDEBNS-RDTXWAMCSA-N 1 2 356.376 2.511 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084420492 996520474 /nfs/dbraw/zinc/52/04/74/996520474.db2.gz AGTJTXDMNZZZEL-UKAVVXHISA-N 1 2 370.468 2.525 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084420492 996520475 /nfs/dbraw/zinc/52/04/75/996520475.db2.gz AGTJTXDMNZZZEL-UKAVVXHISA-N 1 2 370.468 2.525 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cccn4)cc3)[C@@H]2C1 ZINC001084407334 996551342 /nfs/dbraw/zinc/55/13/42/996551342.db2.gz RCQDUBLABASEHM-SJLPKXTDSA-N 1 2 356.857 2.771 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cccn4)cc3)[C@@H]2C1 ZINC001084407334 996551346 /nfs/dbraw/zinc/55/13/46/996551346.db2.gz RCQDUBLABASEHM-SJLPKXTDSA-N 1 2 356.857 2.771 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCN(c4ccccc4)C3)[C@@H]2C1 ZINC001084443900 996596322 /nfs/dbraw/zinc/59/63/22/996596322.db2.gz CLAINZAXIRKIBZ-ZHALLVOQSA-N 1 2 359.901 2.798 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCN(c4ccccc4)C3)[C@@H]2C1 ZINC001084443900 996596323 /nfs/dbraw/zinc/59/63/23/996596323.db2.gz CLAINZAXIRKIBZ-ZHALLVOQSA-N 1 2 359.901 2.798 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3ccc(N(C)C)cc3)[C@@H]2C1 ZINC001084497608 996621447 /nfs/dbraw/zinc/62/14/47/996621447.db2.gz UUUCZGBRWVLYQP-IEBWSBKVSA-N 1 2 361.917 2.970 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3ccc(N(C)C)cc3)[C@@H]2C1 ZINC001084497608 996621448 /nfs/dbraw/zinc/62/14/48/996621448.db2.gz UUUCZGBRWVLYQP-IEBWSBKVSA-N 1 2 361.917 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ncc4ccccn43)[C@@H]2C1 ZINC001084517365 996638443 /nfs/dbraw/zinc/63/84/43/996638443.db2.gz INCAPOBHQNTGBL-UYAOXDASSA-N 1 2 371.444 2.552 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ncc4ccccn43)[C@@H]2C1 ZINC001084517365 996638445 /nfs/dbraw/zinc/63/84/45/996638445.db2.gz INCAPOBHQNTGBL-UYAOXDASSA-N 1 2 371.444 2.552 20 30 FFEDLO CCc1cncc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)c1 ZINC001084521429 996641302 /nfs/dbraw/zinc/64/13/02/996641302.db2.gz FAYRXTNQPNVJOL-TZIWHRDSSA-N 1 2 360.461 2.862 20 30 FFEDLO CCc1cncc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)c1 ZINC001084521429 996641305 /nfs/dbraw/zinc/64/13/05/996641305.db2.gz FAYRXTNQPNVJOL-TZIWHRDSSA-N 1 2 360.461 2.862 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084535024 996655910 /nfs/dbraw/zinc/65/59/10/996655910.db2.gz CJHFRIMMQNIQQN-LFGUQSLTSA-N 1 2 371.456 2.545 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084535024 996655914 /nfs/dbraw/zinc/65/59/14/996655914.db2.gz CJHFRIMMQNIQQN-LFGUQSLTSA-N 1 2 371.456 2.545 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3Cc4ccccc43)[C@@H]2C1 ZINC001084619383 996734842 /nfs/dbraw/zinc/73/48/42/996734842.db2.gz BYAXLSLBIGFSIQ-CEMLEFRQSA-N 1 2 357.457 2.931 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3Cc4ccccc43)[C@@H]2C1 ZINC001084619383 996734845 /nfs/dbraw/zinc/73/48/45/996734845.db2.gz BYAXLSLBIGFSIQ-CEMLEFRQSA-N 1 2 357.457 2.931 20 30 FFEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(F)ccc4F)C[C@H]32)c1 ZINC001084647479 996766455 /nfs/dbraw/zinc/76/64/55/996766455.db2.gz YWNVRKYPDKXDDD-FOIQADDNSA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(F)ccc4F)C[C@H]32)c1 ZINC001084647479 996766457 /nfs/dbraw/zinc/76/64/57/996766457.db2.gz YWNVRKYPDKXDDD-FOIQADDNSA-N 1 2 367.399 2.688 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)ccc3F)C[C@H]21 ZINC001084672966 996825253 /nfs/dbraw/zinc/82/52/53/996825253.db2.gz XSPMJLPYZOZJBD-AZFSHXRASA-N 1 2 362.420 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)ccc3F)C[C@H]21 ZINC001084672966 996825262 /nfs/dbraw/zinc/82/52/62/996825262.db2.gz XSPMJLPYZOZJBD-AZFSHXRASA-N 1 2 362.420 2.589 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)oc3C)C[C@H]21 ZINC001084712293 997028120 /nfs/dbraw/zinc/02/81/20/997028120.db2.gz ALTIWDSKAVHIMI-BWPNAZKDSA-N 1 2 373.497 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)oc3C)C[C@H]21 ZINC001084712293 997028132 /nfs/dbraw/zinc/02/81/32/997028132.db2.gz ALTIWDSKAVHIMI-BWPNAZKDSA-N 1 2 373.497 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ncoc3C(C)C)C[C@H]21 ZINC001084715616 997052704 /nfs/dbraw/zinc/05/27/04/997052704.db2.gz OGQGVKLCBXVGQK-JFRXWTBNSA-N 1 2 373.497 2.812 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ncoc3C(C)C)C[C@H]21 ZINC001084715616 997052716 /nfs/dbraw/zinc/05/27/16/997052716.db2.gz OGQGVKLCBXVGQK-JFRXWTBNSA-N 1 2 373.497 2.812 20 30 FFEDLO Cc1ccccc1CC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000731212848 997742397 /nfs/dbraw/zinc/74/23/97/997742397.db2.gz USGJLZAOBXWMFR-UHFFFAOYSA-N 1 2 363.461 2.784 20 30 FFEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000881121226 1016152227 /nfs/dbraw/zinc/15/22/27/1016152227.db2.gz DEUNQTHATHGCHV-KBXCAEBGSA-N 1 2 354.454 2.763 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1OC ZINC001090918838 997770933 /nfs/dbraw/zinc/77/09/33/997770933.db2.gz ULYFDITZZXYMHI-HUUCEWRRSA-N 1 2 366.893 2.500 20 30 FFEDLO C[N@@H+](Cc1nc(CCc2ccccc2)no1)C[C@H](O)c1cccc(C#N)c1 ZINC000844369585 997815008 /nfs/dbraw/zinc/81/50/08/997815008.db2.gz MOKSQRNAXBRPTC-IBGZPJMESA-N 1 2 362.433 2.892 20 30 FFEDLO C[N@H+](Cc1nc(CCc2ccccc2)no1)C[C@H](O)c1cccc(C#N)c1 ZINC000844369585 997815020 /nfs/dbraw/zinc/81/50/20/997815020.db2.gz MOKSQRNAXBRPTC-IBGZPJMESA-N 1 2 362.433 2.892 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1OC ZINC001090932906 997817740 /nfs/dbraw/zinc/81/77/40/997817740.db2.gz WSGMNPHHKDMDKL-HZPDHXFCSA-N 1 2 358.486 2.585 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1 ZINC000731834465 998258535 /nfs/dbraw/zinc/25/85/35/998258535.db2.gz CODVQSMPDQZSBT-IBGZPJMESA-N 1 2 363.417 2.614 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1 ZINC000731834465 998258544 /nfs/dbraw/zinc/25/85/44/998258544.db2.gz CODVQSMPDQZSBT-IBGZPJMESA-N 1 2 363.417 2.614 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CCO[C@@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@@H]21 ZINC001091056644 998409444 /nfs/dbraw/zinc/40/94/44/998409444.db2.gz PSPLPCJSKYXZSF-JCGIZDLHSA-N 1 2 370.497 2.681 20 30 FFEDLO C#Cc1ccc(C[N@@H+]2CCCn3nnc(COc4cccnc4)c3C2)cc1 ZINC001144569380 998659553 /nfs/dbraw/zinc/65/95/53/998659553.db2.gz QNFFKZQLTRLRDW-UHFFFAOYSA-N 1 2 359.433 2.639 20 30 FFEDLO C#Cc1ccc(C[N@H+]2CCCn3nnc(COc4cccnc4)c3C2)cc1 ZINC001144569380 998659556 /nfs/dbraw/zinc/65/95/56/998659556.db2.gz QNFFKZQLTRLRDW-UHFFFAOYSA-N 1 2 359.433 2.639 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nn(CC)nc4C)[C@H]3C2)CC1 ZINC001085023431 998699518 /nfs/dbraw/zinc/69/95/18/998699518.db2.gz BGVUHJUWDBSROP-XLIONFOSSA-N 1 2 371.529 2.776 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4nn(CC)nc4C)[C@H]3C2)CC1 ZINC001085023431 998699520 /nfs/dbraw/zinc/69/95/20/998699520.db2.gz BGVUHJUWDBSROP-XLIONFOSSA-N 1 2 371.529 2.776 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc4n3CCCC4)[C@H]2C1 ZINC001085024114 998700968 /nfs/dbraw/zinc/70/09/68/998700968.db2.gz VTZTYIOTEGOWOG-WWMYMODYSA-N 1 2 371.529 2.640 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc4n3CCCC4)[C@H]2C1 ZINC001085024114 998700969 /nfs/dbraw/zinc/70/09/69/998700969.db2.gz VTZTYIOTEGOWOG-WWMYMODYSA-N 1 2 371.529 2.640 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3cn(C(C)C)nn3)[C@H]2C1 ZINC001085024092 998700992 /nfs/dbraw/zinc/70/09/92/998700992.db2.gz UHMWHTVTUUTCHL-KPFFTGBYSA-N 1 2 359.518 2.884 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(C(C)C)nn3)[C@H]2C1 ZINC001085024092 998700996 /nfs/dbraw/zinc/70/09/96/998700996.db2.gz UHMWHTVTUUTCHL-KPFFTGBYSA-N 1 2 359.518 2.884 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4nccs4)C[C@@H]32)c1 ZINC001085061421 998819181 /nfs/dbraw/zinc/81/91/81/998819181.db2.gz JFRPZMWWPOWVEI-PBHICJAKSA-N 1 2 370.453 2.890 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CCN(C(=O)c4nccs4)C[C@@H]32)c1 ZINC001085061421 998819183 /nfs/dbraw/zinc/81/91/83/998819183.db2.gz JFRPZMWWPOWVEI-PBHICJAKSA-N 1 2 370.453 2.890 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)[nH]3)[C@H]2C1)c1ccccc1 ZINC001085099541 998941858 /nfs/dbraw/zinc/94/18/58/998941858.db2.gz YGZSVLFEHHVTSO-QYZOEREBSA-N 1 2 365.481 2.506 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)[nH]3)[C@H]2C1)c1ccccc1 ZINC001085099541 998941861 /nfs/dbraw/zinc/94/18/61/998941861.db2.gz YGZSVLFEHHVTSO-QYZOEREBSA-N 1 2 365.481 2.506 20 30 FFEDLO Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2F)c1C ZINC001085154500 999037924 /nfs/dbraw/zinc/03/79/24/999037924.db2.gz XCVUGRPDZTXPEP-QZTJIDSGSA-N 1 2 369.444 2.868 20 30 FFEDLO C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cn[nH]c1-c1ccccn1 ZINC001085220782 999190480 /nfs/dbraw/zinc/19/04/80/999190480.db2.gz MJQWVFMDVMYSLP-HUUCEWRRSA-N 1 2 359.861 2.855 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC001085599994 999586605 /nfs/dbraw/zinc/58/66/05/999586605.db2.gz HJLYWNQWFAUQKO-OTWHNJEPSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(F)cc(F)c1 ZINC001085599994 999586609 /nfs/dbraw/zinc/58/66/09/999586609.db2.gz HJLYWNQWFAUQKO-OTWHNJEPSA-N 1 2 364.436 2.979 20 30 FFEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001085730869 999617705 /nfs/dbraw/zinc/61/77/05/999617705.db2.gz KTXZPBTWCZXBDN-CGBFIWBNSA-N 1 2 371.456 2.545 20 30 FFEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001085730869 999617708 /nfs/dbraw/zinc/61/77/08/999617708.db2.gz KTXZPBTWCZXBDN-CGBFIWBNSA-N 1 2 371.456 2.545 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001085865253 999663104 /nfs/dbraw/zinc/66/31/04/999663104.db2.gz YABJRQMCTACXBW-HKBOAZHASA-N 1 2 367.493 2.962 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001085865253 999663108 /nfs/dbraw/zinc/66/31/08/999663108.db2.gz YABJRQMCTACXBW-HKBOAZHASA-N 1 2 367.493 2.962 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)CC1 ZINC000740922932 999692099 /nfs/dbraw/zinc/69/20/99/999692099.db2.gz DIYRQQFCWRLFOF-UHFFFAOYSA-N 1 2 373.453 2.520 20 30 FFEDLO CC[N@H+](C)[C@H](C(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000741150857 999711753 /nfs/dbraw/zinc/71/17/53/999711753.db2.gz ONDLFNYEHSRSDY-AEFFLSMTSA-N 1 2 371.481 2.954 20 30 FFEDLO CC[N@@H+](C)[C@H](C(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000741150857 999711755 /nfs/dbraw/zinc/71/17/55/999711755.db2.gz ONDLFNYEHSRSDY-AEFFLSMTSA-N 1 2 371.481 2.954 20 30 FFEDLO Fc1cc(F)cc(N[NH+]=Cc2c(N3CCOCC3)nc3ccccn32)c1 ZINC000741806110 999744968 /nfs/dbraw/zinc/74/49/68/999744968.db2.gz GUYHFUROLFUILP-UHFFFAOYSA-N 1 2 357.364 2.895 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000745081077 999894114 /nfs/dbraw/zinc/89/41/14/999894114.db2.gz FQYHNJOPMHLJBK-HKUYNNGSSA-N 1 2 371.481 2.966 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC000745081077 999894115 /nfs/dbraw/zinc/89/41/15/999894115.db2.gz FQYHNJOPMHLJBK-HKUYNNGSSA-N 1 2 371.481 2.966 20 30 FFEDLO COc1ccc(C(=NO)Nc2c(Br)ccc3[nH+]ccn32)nc1 ZINC001169607894 1000061708 /nfs/dbraw/zinc/06/17/08/1000061708.db2.gz BCIIMLXSOLHUBW-UHFFFAOYSA-N 1 2 362.187 2.748 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1F)C2 ZINC001108873365 1000123638 /nfs/dbraw/zinc/12/36/38/1000123638.db2.gz KJKKDCRMHJUGCC-MNEFBYGVSA-N 1 2 373.472 2.585 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1F)C2 ZINC001108873365 1000123641 /nfs/dbraw/zinc/12/36/41/1000123641.db2.gz KJKKDCRMHJUGCC-MNEFBYGVSA-N 1 2 373.472 2.585 20 30 FFEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(Cl)c1 ZINC001108947302 1000137246 /nfs/dbraw/zinc/13/72/46/1000137246.db2.gz NLDPDAIZEDENJV-KCXAZCMYSA-N 1 2 367.877 2.957 20 30 FFEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(Cl)c1 ZINC001108947302 1000137248 /nfs/dbraw/zinc/13/72/48/1000137248.db2.gz NLDPDAIZEDENJV-KCXAZCMYSA-N 1 2 367.877 2.957 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(OCC)cc1 ZINC001109046389 1000155264 /nfs/dbraw/zinc/15/52/64/1000155264.db2.gz JEQUHTRJCBQJDI-NEWSRXKRSA-N 1 2 371.481 2.712 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(OCC)cc1 ZINC001109046389 1000155266 /nfs/dbraw/zinc/15/52/66/1000155266.db2.gz JEQUHTRJCBQJDI-NEWSRXKRSA-N 1 2 371.481 2.712 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129380930 1000161827 /nfs/dbraw/zinc/16/18/27/1000161827.db2.gz HBDRPKWZWPGBEF-QRVBRYPASA-N 1 2 359.518 2.640 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129380930 1000161828 /nfs/dbraw/zinc/16/18/28/1000161828.db2.gz HBDRPKWZWPGBEF-QRVBRYPASA-N 1 2 359.518 2.640 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Br)c1 ZINC001109088912 1000166260 /nfs/dbraw/zinc/16/62/60/1000166260.db2.gz URYJTBTTZVTJKE-FWYOQMDTSA-N 1 2 362.271 2.830 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Br)c1 ZINC001109088912 1000166261 /nfs/dbraw/zinc/16/62/61/1000166261.db2.gz URYJTBTTZVTJKE-FWYOQMDTSA-N 1 2 362.271 2.830 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(-c2ccccc2)on1 ZINC001109090326 1000166638 /nfs/dbraw/zinc/16/66/38/1000166638.db2.gz NSXCGSGKDPGYOW-ZSGPHXLJSA-N 1 2 350.422 2.723 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(-c2ccccc2)on1 ZINC001109090326 1000166639 /nfs/dbraw/zinc/16/66/39/1000166639.db2.gz NSXCGSGKDPGYOW-ZSGPHXLJSA-N 1 2 350.422 2.723 20 30 FFEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001171211400 1000199125 /nfs/dbraw/zinc/19/91/25/1000199125.db2.gz ZCHLQDZXDUCJEH-YJBOKZPZSA-N 1 2 359.470 2.715 20 30 FFEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001171211400 1000199126 /nfs/dbraw/zinc/19/91/26/1000199126.db2.gz ZCHLQDZXDUCJEH-YJBOKZPZSA-N 1 2 359.470 2.715 20 30 FFEDLO COc1cc(Cl)ccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109258033 1000203797 /nfs/dbraw/zinc/20/37/97/1000203797.db2.gz YMIMUIFLJOATRO-SQNIBIBYSA-N 1 2 358.869 2.984 20 30 FFEDLO COc1cc(Cl)ccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109258033 1000203801 /nfs/dbraw/zinc/20/38/01/1000203801.db2.gz YMIMUIFLJOATRO-SQNIBIBYSA-N 1 2 358.869 2.984 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1Cl ZINC001109267452 1000208857 /nfs/dbraw/zinc/20/88/57/1000208857.db2.gz PGBCXNIFUVJWAN-ZYUBPSHWSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1Cl ZINC001109267452 1000208860 /nfs/dbraw/zinc/20/88/60/1000208860.db2.gz PGBCXNIFUVJWAN-ZYUBPSHWSA-N 1 2 364.848 2.739 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCC1 ZINC001109335662 1000285399 /nfs/dbraw/zinc/28/53/99/1000285399.db2.gz YFNVFMAOHYUWHC-PMPSAXMXSA-N 1 2 367.921 2.545 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCC1 ZINC001109335662 1000285402 /nfs/dbraw/zinc/28/54/02/1000285402.db2.gz YFNVFMAOHYUWHC-PMPSAXMXSA-N 1 2 367.921 2.545 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)[nH+]c2c1CCCC2 ZINC001091244297 1000321792 /nfs/dbraw/zinc/32/17/92/1000321792.db2.gz WUBQVIOZLUITHN-QZTJIDSGSA-N 1 2 358.486 2.706 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1ncccc1C#N)n1cc[nH+]c1 ZINC001091295524 1000380586 /nfs/dbraw/zinc/38/05/86/1000380586.db2.gz AGEZZQDKCZRSBY-DJIMGWMZSA-N 1 2 352.442 2.640 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)nn1 ZINC000846990492 1000506337 /nfs/dbraw/zinc/50/63/37/1000506337.db2.gz AXZUUDTYKGIODI-IBGZPJMESA-N 1 2 361.490 2.830 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)nn1 ZINC000846990492 1000506344 /nfs/dbraw/zinc/50/63/44/1000506344.db2.gz AXZUUDTYKGIODI-IBGZPJMESA-N 1 2 361.490 2.830 20 30 FFEDLO C=CCO[C@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091587422 1000724266 /nfs/dbraw/zinc/72/42/66/1000724266.db2.gz RBHSMEFYPKPZKZ-HLLBOEOZSA-N 1 2 358.486 2.950 20 30 FFEDLO CCC[C@@H](OCC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109625903 1000739243 /nfs/dbraw/zinc/73/92/43/1000739243.db2.gz GRSKCXLBCRMFNZ-FUMNGEBKSA-N 1 2 355.482 2.985 20 30 FFEDLO CCC[C@@H](OCC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109625903 1000739252 /nfs/dbraw/zinc/73/92/52/1000739252.db2.gz GRSKCXLBCRMFNZ-FUMNGEBKSA-N 1 2 355.482 2.985 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(OC)nc1C ZINC001109631807 1000748102 /nfs/dbraw/zinc/74/81/02/1000748102.db2.gz OKGMNLNGYWLTQH-NBMRYCAZSA-N 1 2 358.486 2.617 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(OC)nc1C ZINC001109631807 1000748111 /nfs/dbraw/zinc/74/81/11/1000748111.db2.gz OKGMNLNGYWLTQH-NBMRYCAZSA-N 1 2 358.486 2.617 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109692544 1000864358 /nfs/dbraw/zinc/86/43/58/1000864358.db2.gz ZOJINDIMYQOQEA-FYQPLNBISA-N 1 2 355.482 2.841 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109692544 1000864361 /nfs/dbraw/zinc/86/43/61/1000864361.db2.gz ZOJINDIMYQOQEA-FYQPLNBISA-N 1 2 355.482 2.841 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001091627213 1000871873 /nfs/dbraw/zinc/87/18/73/1000871873.db2.gz WDNWQRQXQYGEII-YESZJQIVSA-N 1 2 371.529 2.764 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001091627213 1000871881 /nfs/dbraw/zinc/87/18/81/1000871881.db2.gz WDNWQRQXQYGEII-YESZJQIVSA-N 1 2 371.529 2.764 20 30 FFEDLO C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H](CNc2ccc(C#N)cn2)C1 ZINC001091684254 1001053783 /nfs/dbraw/zinc/05/37/83/1001053783.db2.gz DEBXYSJSHRVNPL-AEFFLSMTSA-N 1 2 366.469 2.669 20 30 FFEDLO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C3CC3)s1)C2 ZINC001109973462 1001230601 /nfs/dbraw/zinc/23/06/01/1001230601.db2.gz GTURCNAQOJWAOO-UKMLZYKCSA-N 1 2 373.522 2.651 20 30 FFEDLO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C3CC3)s1)C2 ZINC001109973462 1001230607 /nfs/dbraw/zinc/23/06/07/1001230607.db2.gz GTURCNAQOJWAOO-UKMLZYKCSA-N 1 2 373.522 2.651 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C2 ZINC001110022097 1001312748 /nfs/dbraw/zinc/31/27/48/1001312748.db2.gz QIECNIXOCCIXFL-QYZOEREBSA-N 1 2 369.509 2.621 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C2 ZINC001110022097 1001312751 /nfs/dbraw/zinc/31/27/51/1001312751.db2.gz QIECNIXOCCIXFL-QYZOEREBSA-N 1 2 369.509 2.621 20 30 FFEDLO COc1ccc(C[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1C#N ZINC000746577215 1001580177 /nfs/dbraw/zinc/58/01/77/1001580177.db2.gz SQTISRLLEMXAJT-LJQANCHMSA-N 1 2 353.397 2.815 20 30 FFEDLO Cc1cc(F)ccc1[C@H](O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000746652182 1001670045 /nfs/dbraw/zinc/67/00/45/1001670045.db2.gz FSYNVDGEWWYASW-OAQYLSRUSA-N 1 2 353.441 2.857 20 30 FFEDLO N#Cc1cccc2[nH]cc(CC(=O)N3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)c21 ZINC001182581017 1001963297 /nfs/dbraw/zinc/96/32/97/1001963297.db2.gz CNNJARGALZFXQX-QGZVFWFLSA-N 1 2 372.419 2.914 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1CCN(c2ncnc3c2C[N@H+](C)CC3)[C@@H]1CC ZINC001091827409 1001974289 /nfs/dbraw/zinc/97/42/89/1001974289.db2.gz JWMHONJIDUZYFL-ZWKOTPCHSA-N 1 2 371.529 2.540 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1CCN(c2ncnc3c2C[N@@H+](C)CC3)[C@@H]1CC ZINC001091827409 1001974292 /nfs/dbraw/zinc/97/42/92/1001974292.db2.gz JWMHONJIDUZYFL-ZWKOTPCHSA-N 1 2 371.529 2.540 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1Cc3cc(F)ccc3O1)C2 ZINC001097962161 1016562161 /nfs/dbraw/zinc/56/21/61/1016562161.db2.gz ZSJCKPLLQPBREI-AIANPOQGSA-N 1 2 350.821 2.603 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1Cc3cc(F)ccc3O1)C2 ZINC001097962161 1016562169 /nfs/dbraw/zinc/56/21/69/1016562169.db2.gz ZSJCKPLLQPBREI-AIANPOQGSA-N 1 2 350.821 2.603 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1-c1ccccn1)C2 ZINC001095514542 1016594516 /nfs/dbraw/zinc/59/45/16/1016594516.db2.gz UUNSDHQIXKBKFV-KCXAZCMYSA-N 1 2 357.845 2.559 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1-c1ccccn1)C2 ZINC001095514542 1016594531 /nfs/dbraw/zinc/59/45/31/1016594531.db2.gz UUNSDHQIXKBKFV-KCXAZCMYSA-N 1 2 357.845 2.559 20 30 FFEDLO C[C@H]1OCC[C@@]12C[N@H+](Cn1ccc(-c3ccc(C#N)cc3)n1)C[C@@H](C)O2 ZINC000790408288 1002364555 /nfs/dbraw/zinc/36/45/55/1002364555.db2.gz UARDFCJUYZAINX-JXXFODFXSA-N 1 2 352.438 2.648 20 30 FFEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cn1ccc(-c3ccc(C#N)cc3)n1)C[C@@H](C)O2 ZINC000790408288 1002364562 /nfs/dbraw/zinc/36/45/62/1002364562.db2.gz UARDFCJUYZAINX-JXXFODFXSA-N 1 2 352.438 2.648 20 30 FFEDLO Cc1c(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cnn1C ZINC000790452437 1002383625 /nfs/dbraw/zinc/38/36/25/1002383625.db2.gz MCIAMJSEAHUSIN-KRWDZBQOSA-N 1 2 353.470 2.804 20 30 FFEDLO Cc1c(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cnn1C ZINC000790452437 1002383637 /nfs/dbraw/zinc/38/36/37/1002383637.db2.gz MCIAMJSEAHUSIN-KRWDZBQOSA-N 1 2 353.470 2.804 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@](O)(CF)CC1 ZINC001183828576 1002400978 /nfs/dbraw/zinc/40/09/78/1002400978.db2.gz JYQUOVPBBXHPPW-TZIWHRDSSA-N 1 2 373.472 2.626 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@](O)(CF)CC1 ZINC001183828576 1002400980 /nfs/dbraw/zinc/40/09/80/1002400980.db2.gz JYQUOVPBBXHPPW-TZIWHRDSSA-N 1 2 373.472 2.626 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)/C(C)=C/CC)C3)c1 ZINC001110349821 1002613465 /nfs/dbraw/zinc/61/34/65/1002613465.db2.gz XDDQHRDIJCPMDM-PGYMPLIBSA-N 1 2 365.477 2.684 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)/C(C)=C/CC)C3)c1 ZINC001110349821 1002613476 /nfs/dbraw/zinc/61/34/76/1002613476.db2.gz XDDQHRDIJCPMDM-PGYMPLIBSA-N 1 2 365.477 2.684 20 30 FFEDLO Cc1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096859479 1016648734 /nfs/dbraw/zinc/64/87/34/1016648734.db2.gz KXFBFYJGMSBVFL-OIISXLGYSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096859479 1016648742 /nfs/dbraw/zinc/64/87/42/1016648742.db2.gz KXFBFYJGMSBVFL-OIISXLGYSA-N 1 2 354.385 2.529 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@@]2(C)C1 ZINC001092292889 1002704816 /nfs/dbraw/zinc/70/48/16/1002704816.db2.gz BYLCDIDOUKDJKB-CEQIKUNHSA-N 1 2 370.497 2.538 20 30 FFEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C)s1)c1nccn12 ZINC001092401704 1002777185 /nfs/dbraw/zinc/77/71/85/1002777185.db2.gz GEJLJRLLQUOIBE-OAGGEKHMSA-N 1 2 368.506 2.815 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2cccc(F)c2F)CC1 ZINC001001163348 1016672427 /nfs/dbraw/zinc/67/24/27/1016672427.db2.gz MEWQPIRIOJNXHN-AEFFLSMTSA-N 1 2 362.420 2.804 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2cccc(F)c2F)CC1 ZINC001001163348 1016672435 /nfs/dbraw/zinc/67/24/35/1016672435.db2.gz MEWQPIRIOJNXHN-AEFFLSMTSA-N 1 2 362.420 2.804 20 30 FFEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCc2cccnc2)cc1 ZINC000774842675 1002867052 /nfs/dbraw/zinc/86/70/52/1002867052.db2.gz YGHLZRPVZHYKAX-UHFFFAOYSA-N 1 2 356.426 2.943 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cnon3)C[C@H]2c2ccccc2)CC1 ZINC001086607450 1003009595 /nfs/dbraw/zinc/00/95/95/1003009595.db2.gz BQQFKJDEZXABGF-VQTJNVASSA-N 1 2 366.465 2.900 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cnon3)C[C@H]2c2ccccc2)CC1 ZINC001086607450 1003009605 /nfs/dbraw/zinc/00/96/05/1003009605.db2.gz BQQFKJDEZXABGF-VQTJNVASSA-N 1 2 366.465 2.900 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1csc(-c2cnn(C)c2)n1 ZINC001110371105 1003092139 /nfs/dbraw/zinc/09/21/39/1003092139.db2.gz BWNXVFXMNJDYFL-ZACQAIPSSA-N 1 2 371.510 2.731 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1csc(-c2cnn(C)c2)n1 ZINC001110371105 1003092146 /nfs/dbraw/zinc/09/21/46/1003092146.db2.gz BWNXVFXMNJDYFL-ZACQAIPSSA-N 1 2 371.510 2.731 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(CC)c1ccccc1 ZINC001110371385 1003097882 /nfs/dbraw/zinc/09/78/82/1003097882.db2.gz KZTOFSZHDGMKBS-QRVBRYPASA-N 1 2 355.482 2.727 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(CC)c1ccccc1 ZINC001110371385 1003097892 /nfs/dbraw/zinc/09/78/92/1003097892.db2.gz KZTOFSZHDGMKBS-QRVBRYPASA-N 1 2 355.482 2.727 20 30 FFEDLO Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)c1 ZINC001096912458 1016728530 /nfs/dbraw/zinc/72/85/30/1016728530.db2.gz IMTXCHSSZZPASX-RLLQIKCJSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)c1 ZINC001096912458 1016728540 /nfs/dbraw/zinc/72/85/40/1016728540.db2.gz IMTXCHSSZZPASX-RLLQIKCJSA-N 1 2 364.424 2.936 20 30 FFEDLO C#Cc1ccccc1CC(=O)NCC[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001092537504 1003160922 /nfs/dbraw/zinc/16/09/22/1003160922.db2.gz TXYXGGZGPKNGGO-OXQOHEQNSA-N 1 2 362.477 2.588 20 30 FFEDLO COc1ccc(F)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2 ZINC001096925429 1016745666 /nfs/dbraw/zinc/74/56/66/1016745666.db2.gz WBTIXZZTDVTYKO-NUJGCVRESA-N 1 2 368.412 2.569 20 30 FFEDLO COc1ccc(F)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2 ZINC001096925429 1016745678 /nfs/dbraw/zinc/74/56/78/1016745678.db2.gz WBTIXZZTDVTYKO-NUJGCVRESA-N 1 2 368.412 2.569 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1C[C@@H](CNc2cc(C)[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC001092641112 1003275687 /nfs/dbraw/zinc/27/56/87/1003275687.db2.gz OVUAGEKKLQEZJQ-KKVAFCGZSA-N 1 2 360.502 2.742 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1ccc(OCC#N)cc1 ZINC000793368939 1003343944 /nfs/dbraw/zinc/34/39/44/1003343944.db2.gz CSYQPUBUNGYTBX-UHFFFAOYSA-N 1 2 370.359 2.842 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000793514086 1003393731 /nfs/dbraw/zinc/39/37/31/1003393731.db2.gz UXDDTABKTOFFEB-UHFFFAOYSA-N 1 2 369.371 2.951 20 30 FFEDLO N#CCSCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3Cl)C[C@H]21 ZINC001186916914 1003488948 /nfs/dbraw/zinc/48/89/48/1003488948.db2.gz AHRYGSYIYZPGTE-XJKSGUPXSA-N 1 2 367.877 2.769 20 30 FFEDLO N#CCSCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(F)cc3Cl)C[C@H]21 ZINC001186916914 1003488953 /nfs/dbraw/zinc/48/89/53/1003488953.db2.gz AHRYGSYIYZPGTE-XJKSGUPXSA-N 1 2 367.877 2.769 20 30 FFEDLO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000747202707 1003750167 /nfs/dbraw/zinc/75/01/67/1003750167.db2.gz UABZPHCSXOGPDP-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@H]1O ZINC001192524987 1004196325 /nfs/dbraw/zinc/19/63/25/1004196325.db2.gz OPZUGEDHLZIIFR-CSMYWGQOSA-N 1 2 352.837 2.505 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@H]1O ZINC001192524987 1004196330 /nfs/dbraw/zinc/19/63/30/1004196330.db2.gz OPZUGEDHLZIIFR-CSMYWGQOSA-N 1 2 352.837 2.505 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc3ccccc3o2)C[C@H]1O ZINC001193231457 1004411736 /nfs/dbraw/zinc/41/17/36/1004411736.db2.gz CWGDOQYQNRZYMH-BMGDILEWSA-N 1 2 369.465 2.819 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc3ccccc3o2)C[C@H]1O ZINC001193231457 1004411744 /nfs/dbraw/zinc/41/17/44/1004411744.db2.gz CWGDOQYQNRZYMH-BMGDILEWSA-N 1 2 369.465 2.819 20 30 FFEDLO CCC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001193247524 1004417957 /nfs/dbraw/zinc/41/79/57/1004417957.db2.gz DSSQCGVYOIJTHA-QZTJIDSGSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001193247524 1004417961 /nfs/dbraw/zinc/41/79/61/1004417961.db2.gz DSSQCGVYOIJTHA-QZTJIDSGSA-N 1 2 362.901 2.679 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)ns1 ZINC001097007361 1016884180 /nfs/dbraw/zinc/88/41/80/1016884180.db2.gz HISRZDOCRKWUKH-KYJSFNMBSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)ns1 ZINC001097007361 1016884195 /nfs/dbraw/zinc/88/41/95/1016884195.db2.gz HISRZDOCRKWUKH-KYJSFNMBSA-N 1 2 370.453 2.998 20 30 FFEDLO CCOC1CC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)C1 ZINC001097026683 1016918859 /nfs/dbraw/zinc/91/88/59/1016918859.db2.gz PQGZHXQFRILZIP-FWAOKRGKSA-N 1 2 371.456 2.734 20 30 FFEDLO CCOC1CC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)C1 ZINC001097026683 1016918867 /nfs/dbraw/zinc/91/88/67/1016918867.db2.gz PQGZHXQFRILZIP-FWAOKRGKSA-N 1 2 371.456 2.734 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccc2Cl)C[C@H]1O ZINC001195254861 1004924055 /nfs/dbraw/zinc/92/40/55/1004924055.db2.gz JKVSFZKCQSDNOD-IAGOWNOFSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccc2Cl)C[C@H]1O ZINC001195254861 1004924060 /nfs/dbraw/zinc/92/40/60/1004924060.db2.gz JKVSFZKCQSDNOD-IAGOWNOFSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3c2c(F)ccc3F)C[C@H]1O ZINC001195255148 1004924400 /nfs/dbraw/zinc/92/44/00/1004924400.db2.gz NZOMWSACESOSJK-BRWVUGGUSA-N 1 2 364.436 2.716 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3c2c(F)ccc3F)C[C@H]1O ZINC001195255148 1004924404 /nfs/dbraw/zinc/92/44/04/1004924404.db2.gz NZOMWSACESOSJK-BRWVUGGUSA-N 1 2 364.436 2.716 20 30 FFEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001110539224 1004998075 /nfs/dbraw/zinc/99/80/75/1004998075.db2.gz KDNHMCGSRWMASV-AQNXPRMDSA-N 1 2 352.865 2.826 20 30 FFEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001110539224 1004998077 /nfs/dbraw/zinc/99/80/77/1004998077.db2.gz KDNHMCGSRWMASV-AQNXPRMDSA-N 1 2 352.865 2.826 20 30 FFEDLO CC[C@H]1CCCCN1C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110543732 1005059914 /nfs/dbraw/zinc/05/99/14/1005059914.db2.gz GEMGYOSPTKUDGH-MANSERQUSA-N 1 2 373.541 2.549 20 30 FFEDLO CC[C@H]1CCCCN1C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110543732 1005059916 /nfs/dbraw/zinc/05/99/16/1005059916.db2.gz GEMGYOSPTKUDGH-MANSERQUSA-N 1 2 373.541 2.549 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(F)cccc1Cl ZINC001110551081 1005095481 /nfs/dbraw/zinc/09/54/81/1005095481.db2.gz NWPXFAGXJSJJSG-XWIAVFTESA-N 1 2 364.848 2.741 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(F)cccc1Cl ZINC001110551081 1005095486 /nfs/dbraw/zinc/09/54/86/1005095486.db2.gz NWPXFAGXJSJJSG-XWIAVFTESA-N 1 2 364.848 2.741 20 30 FFEDLO N#Cc1ccc(NC(=S)NCCCn2cc[nH+]c2)c(Br)c1 ZINC001201114664 1005169684 /nfs/dbraw/zinc/16/96/84/1005169684.db2.gz QQFLFECYMKCKQA-UHFFFAOYSA-N 1 2 364.272 2.894 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1c1ccccc1 ZINC001488889836 1005372091 /nfs/dbraw/zinc/37/20/91/1005372091.db2.gz NDDIJNRACAARDA-NZSAHSFTSA-N 1 2 367.497 2.502 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1c1ccccc1 ZINC001488889836 1005372092 /nfs/dbraw/zinc/37/20/92/1005372092.db2.gz NDDIJNRACAARDA-NZSAHSFTSA-N 1 2 367.497 2.502 20 30 FFEDLO O=C(C#CC1CC1)N[C@@H]1C[N@H+](Cc2nccs2)C[C@H]1c1ccccc1 ZINC001488885088 1005377788 /nfs/dbraw/zinc/37/77/88/1005377788.db2.gz NWSYRZOUHJTBSD-ZWKOTPCHSA-N 1 2 351.475 2.641 20 30 FFEDLO O=C(C#CC1CC1)N[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]1c1ccccc1 ZINC001488885088 1005377789 /nfs/dbraw/zinc/37/77/89/1005377789.db2.gz NWSYRZOUHJTBSD-ZWKOTPCHSA-N 1 2 351.475 2.641 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C)(C)CC ZINC001110596836 1005406350 /nfs/dbraw/zinc/40/63/50/1005406350.db2.gz ZILWBQBMOIQXIP-KFWWJZLASA-N 1 2 369.937 2.791 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C)(C)CC ZINC001110596836 1005406352 /nfs/dbraw/zinc/40/63/52/1005406352.db2.gz ZILWBQBMOIQXIP-KFWWJZLASA-N 1 2 369.937 2.791 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1 ZINC001110598893 1005428698 /nfs/dbraw/zinc/42/86/98/1005428698.db2.gz QYWUDIXKHKIGDU-QRVBRYPASA-N 1 2 369.509 2.627 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1 ZINC001110598893 1005428700 /nfs/dbraw/zinc/42/87/00/1005428700.db2.gz QYWUDIXKHKIGDU-QRVBRYPASA-N 1 2 369.509 2.627 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001489696188 1005547871 /nfs/dbraw/zinc/54/78/71/1005547871.db2.gz PIWYKRRFGKKKIM-BZUAXINKSA-N 1 2 358.486 2.730 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCc2ccccc21 ZINC001110610556 1005670752 /nfs/dbraw/zinc/67/07/52/1005670752.db2.gz IJVWXQYHFUMCJB-GGPKGHCWSA-N 1 2 367.493 2.654 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCc2ccccc21 ZINC001110610556 1005670753 /nfs/dbraw/zinc/67/07/53/1005670753.db2.gz IJVWXQYHFUMCJB-GGPKGHCWSA-N 1 2 367.493 2.654 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001490706759 1005757531 /nfs/dbraw/zinc/75/75/31/1005757531.db2.gz RICGTNSGBQONIH-OHNQJVKOSA-N 1 2 358.486 2.538 20 30 FFEDLO COCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)CC1 ZINC001110645883 1005956672 /nfs/dbraw/zinc/95/66/72/1005956672.db2.gz RPZXMVVIZWQYJK-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO COCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)CC1 ZINC001110645883 1005956675 /nfs/dbraw/zinc/95/66/75/1005956675.db2.gz RPZXMVVIZWQYJK-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nc4ccccc4c(=O)[nH]3)C[C@H]21 ZINC001187233720 1005968841 /nfs/dbraw/zinc/96/88/41/1005968841.db2.gz YKDXFZGRYMXZFL-RVKKMQEKSA-N 1 2 366.465 2.895 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nc4ccccc4c(=O)[nH]3)C[C@H]21 ZINC001187233720 1005968846 /nfs/dbraw/zinc/96/88/46/1005968846.db2.gz YKDXFZGRYMXZFL-RVKKMQEKSA-N 1 2 366.465 2.895 20 30 FFEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](C[C@H](O)COCc2ccccc2F)C1 ZINC000852325620 1005977718 /nfs/dbraw/zinc/97/77/18/1005977718.db2.gz IOSNCNRUTLGGHA-RXVVDRJESA-N 1 2 369.440 2.656 20 30 FFEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](C[C@H](O)COCc2ccccc2F)C1 ZINC000852325620 1005977725 /nfs/dbraw/zinc/97/77/25/1005977725.db2.gz IOSNCNRUTLGGHA-RXVVDRJESA-N 1 2 369.440 2.656 20 30 FFEDLO CO[C@H](C)CC(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001187208233 1005977813 /nfs/dbraw/zinc/97/78/13/1005977813.db2.gz DNNXEGDOQPPOFK-HHXXYDBFSA-N 1 2 360.885 2.649 20 30 FFEDLO CO[C@H](C)CC(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001187208233 1005977820 /nfs/dbraw/zinc/97/78/20/1005977820.db2.gz DNNXEGDOQPPOFK-HHXXYDBFSA-N 1 2 360.885 2.649 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)Nc3ccccc3F)C[C@H]21 ZINC001187210707 1005978760 /nfs/dbraw/zinc/97/87/60/1005978760.db2.gz XIZKMBKQGJNEKC-RVKKMQEKSA-N 1 2 359.445 2.652 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)Nc3ccccc3F)C[C@H]21 ZINC001187210707 1005978770 /nfs/dbraw/zinc/97/87/70/1005978770.db2.gz XIZKMBKQGJNEKC-RVKKMQEKSA-N 1 2 359.445 2.652 20 30 FFEDLO CCCCCC[C@](O)(C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1)C(=O)OC ZINC000852333953 1005983399 /nfs/dbraw/zinc/98/33/99/1005983399.db2.gz ZJQCHUSKHVYOAS-SFTDATJTSA-N 1 2 373.497 2.813 20 30 FFEDLO CCCCCC[C@](O)(C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1)C(=O)OC ZINC000852333953 1005983404 /nfs/dbraw/zinc/98/34/04/1005983404.db2.gz ZJQCHUSKHVYOAS-SFTDATJTSA-N 1 2 373.497 2.813 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(OC)ccn2)CCC1 ZINC001110651248 1006078677 /nfs/dbraw/zinc/07/86/77/1006078677.db2.gz VJXQVZSYXGWSMH-QRQLOZEOSA-N 1 2 353.466 2.505 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(OC)ccn2)CCC1 ZINC001110651248 1006078689 /nfs/dbraw/zinc/07/86/89/1006078689.db2.gz VJXQVZSYXGWSMH-QRQLOZEOSA-N 1 2 353.466 2.505 20 30 FFEDLO N#Cc1cccc2c1CC[C@H]2NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC001187451056 1006088112 /nfs/dbraw/zinc/08/81/12/1006088112.db2.gz XMIVZUZYXDNOKA-OAQYLSRUSA-N 1 2 361.445 2.808 20 30 FFEDLO COC(=O)NC1CC[NH+](CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)CC1 ZINC000852768407 1006174239 /nfs/dbraw/zinc/17/42/39/1006174239.db2.gz SNAGDXXDOLBOFD-CPNJWEJPSA-N 1 2 371.481 2.687 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3CC)C[C@H]21 ZINC001187713839 1006210890 /nfs/dbraw/zinc/21/08/90/1006210890.db2.gz HPNUQZXUDGCOSK-AZUAARDMSA-N 1 2 367.493 2.524 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccccc3CC)C[C@H]21 ZINC001187713839 1006210902 /nfs/dbraw/zinc/21/09/02/1006210902.db2.gz HPNUQZXUDGCOSK-AZUAARDMSA-N 1 2 367.493 2.524 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccnc1N1CCCC1)C2 ZINC001095704569 1017034554 /nfs/dbraw/zinc/03/45/54/1017034554.db2.gz WETTUFYDAZODBI-PVAVHDDUSA-N 1 2 360.889 2.769 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccnc1N1CCCC1)C2 ZINC001095704569 1017034564 /nfs/dbraw/zinc/03/45/64/1017034564.db2.gz WETTUFYDAZODBI-PVAVHDDUSA-N 1 2 360.889 2.769 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC001187881938 1006306834 /nfs/dbraw/zinc/30/68/34/1006306834.db2.gz ICCBOSCKKUWLMV-JKIFEVAISA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC001187881938 1006306846 /nfs/dbraw/zinc/30/68/46/1006306846.db2.gz ICCBOSCKKUWLMV-JKIFEVAISA-N 1 2 364.848 2.550 20 30 FFEDLO CCc1ccc(C#CC(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC000814621705 1006369979 /nfs/dbraw/zinc/36/99/79/1006369979.db2.gz AJSWPLATWQEIDU-UHFFFAOYSA-N 1 2 361.489 2.987 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000814647074 1006391196 /nfs/dbraw/zinc/39/11/96/1006391196.db2.gz LQNRBQHLMLWAPL-FQEVSTJZSA-N 1 2 364.445 2.798 20 30 FFEDLO N#CC[C@@H]1CCC[N@@H+](CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)C1 ZINC000853526677 1006429179 /nfs/dbraw/zinc/42/91/79/1006429179.db2.gz WHZUIWGIKFZNOO-KKSFZXQISA-N 1 2 366.465 2.743 20 30 FFEDLO N#CC[C@@H]1CCC[N@H+](CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)C1 ZINC000853526677 1006429184 /nfs/dbraw/zinc/42/91/84/1006429184.db2.gz WHZUIWGIKFZNOO-KKSFZXQISA-N 1 2 366.465 2.743 20 30 FFEDLO Cc1ccc2c(c1)C[N@@H+](CN1C(=O)N[C@@](C)(c3cccc(C#N)c3)C1=O)CC2 ZINC000853534930 1006432185 /nfs/dbraw/zinc/43/21/85/1006432185.db2.gz XRMUCNUENSXWFC-QFIPXVFZSA-N 1 2 374.444 2.650 20 30 FFEDLO Cc1ccc2c(c1)C[N@H+](CN1C(=O)N[C@@](C)(c3cccc(C#N)c3)C1=O)CC2 ZINC000853534930 1006432195 /nfs/dbraw/zinc/43/21/95/1006432195.db2.gz XRMUCNUENSXWFC-QFIPXVFZSA-N 1 2 374.444 2.650 20 30 FFEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000853629798 1006483345 /nfs/dbraw/zinc/48/33/45/1006483345.db2.gz LBXCGQIMQLGSLT-KZULUSFZSA-N 1 2 361.396 2.827 20 30 FFEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000853629798 1006483353 /nfs/dbraw/zinc/48/33/53/1006483353.db2.gz LBXCGQIMQLGSLT-KZULUSFZSA-N 1 2 361.396 2.827 20 30 FFEDLO Cn1cc(-c2ccnc(C3CC[NH+](Cc4nc(C#N)cs4)CC3)n2)cn1 ZINC000854104534 1006683315 /nfs/dbraw/zinc/68/33/15/1006683315.db2.gz SNHJOSKBJKUENJ-UHFFFAOYSA-N 1 2 365.466 2.585 20 30 FFEDLO C#Cc1ccc(C(=O)N2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cc1 ZINC001188723048 1006700259 /nfs/dbraw/zinc/70/02/59/1006700259.db2.gz UYTSCGUHGDVMBY-UHFFFAOYSA-N 1 2 364.445 2.768 20 30 FFEDLO C#Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cc1 ZINC001188723048 1006700274 /nfs/dbraw/zinc/70/02/74/1006700274.db2.gz UYTSCGUHGDVMBY-UHFFFAOYSA-N 1 2 364.445 2.768 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nnc(CC)o3)C[C@H]21 ZINC001188793849 1006714563 /nfs/dbraw/zinc/71/45/63/1006714563.db2.gz LXNGMGMALTZDKA-IXDOHACOSA-N 1 2 358.486 2.809 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nnc(CC)o3)C[C@H]21 ZINC001188793849 1006714575 /nfs/dbraw/zinc/71/45/75/1006714575.db2.gz LXNGMGMALTZDKA-IXDOHACOSA-N 1 2 358.486 2.809 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4ccoc4)no3)C[C@H]21 ZINC001188909521 1006798790 /nfs/dbraw/zinc/79/87/90/1006798790.db2.gz UELZRUJDKAQIJR-HLLBOEOZSA-N 1 2 370.453 2.965 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4ccoc4)no3)C[C@H]21 ZINC001188909521 1006798799 /nfs/dbraw/zinc/79/87/99/1006798799.db2.gz UELZRUJDKAQIJR-HLLBOEOZSA-N 1 2 370.453 2.965 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)[C@H](C)c1nnc(C)s1 ZINC001273571623 1006799652 /nfs/dbraw/zinc/79/96/52/1006799652.db2.gz KZVIPBIPEAPRHD-KBMXLJTQSA-N 1 2 366.531 2.669 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCC[N@H+](C)[C@H](C)c1nnc(C)s1 ZINC001273571623 1006799660 /nfs/dbraw/zinc/79/96/60/1006799660.db2.gz KZVIPBIPEAPRHD-KBMXLJTQSA-N 1 2 366.531 2.669 20 30 FFEDLO Cc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)CC#Cc4ccccc4)[C@@H]3C2)cs1 ZINC001190289622 1007574136 /nfs/dbraw/zinc/57/41/36/1007574136.db2.gz FTLYJFAQPYSDJN-AZUAARDMSA-N 1 2 365.502 2.926 20 30 FFEDLO Cc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)CC#Cc4ccccc4)[C@@H]3C2)cs1 ZINC001190289622 1007574148 /nfs/dbraw/zinc/57/41/48/1007574148.db2.gz FTLYJFAQPYSDJN-AZUAARDMSA-N 1 2 365.502 2.926 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001190440551 1007640635 /nfs/dbraw/zinc/64/06/35/1007640635.db2.gz JEYRCXJMDRTIOV-UKPHBRMFSA-N 1 2 361.511 2.644 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001190440551 1007640640 /nfs/dbraw/zinc/64/06/40/1007640640.db2.gz JEYRCXJMDRTIOV-UKPHBRMFSA-N 1 2 361.511 2.644 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001190449854 1007649104 /nfs/dbraw/zinc/64/91/04/1007649104.db2.gz HSSLDLAMILVGCP-HLLBOEOZSA-N 1 2 363.527 2.719 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001190449854 1007649109 /nfs/dbraw/zinc/64/91/09/1007649109.db2.gz HSSLDLAMILVGCP-HLLBOEOZSA-N 1 2 363.527 2.719 20 30 FFEDLO C=CCC1(S(=O)(=O)Nc2cc(Br)c3[nH+]ccn3c2)CC1 ZINC001190773600 1007778396 /nfs/dbraw/zinc/77/83/96/1007778396.db2.gz IESWYZVETDTBKQ-UHFFFAOYSA-N 1 2 356.245 2.947 20 30 FFEDLO C#Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)c(Cl)c1 ZINC000885671204 1007778506 /nfs/dbraw/zinc/77/85/06/1007778506.db2.gz BXXNKLLIDOMMBF-QGZVFWFLSA-N 1 2 372.856 2.757 20 30 FFEDLO C#Cc1ccc(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)c(Cl)c1 ZINC000885671204 1007778516 /nfs/dbraw/zinc/77/85/16/1007778516.db2.gz BXXNKLLIDOMMBF-QGZVFWFLSA-N 1 2 372.856 2.757 20 30 FFEDLO C=CCCn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)nn1 ZINC000856813804 1007987410 /nfs/dbraw/zinc/98/74/10/1007987410.db2.gz OJGYWGXOJIVORJ-KXBFYZLASA-N 1 2 361.490 2.733 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)nn1 ZINC000856813804 1007987416 /nfs/dbraw/zinc/98/74/16/1007987416.db2.gz OJGYWGXOJIVORJ-KXBFYZLASA-N 1 2 361.490 2.733 20 30 FFEDLO Cc1cc(NCCNC(=O)NCc2cc(C#N)ccc2F)nc(C(C)C)[nH+]1 ZINC000858255760 1008334263 /nfs/dbraw/zinc/33/42/63/1008334263.db2.gz WYHWXDUDMACNKG-UHFFFAOYSA-N 1 2 370.432 2.831 20 30 FFEDLO C#C[C@@H](NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C1CCOCC1 ZINC000820919623 1008386511 /nfs/dbraw/zinc/38/65/11/1008386511.db2.gz UOIBYHLVBODCNX-OXJNMPFZSA-N 1 2 371.481 2.630 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCCOc1ccccc1)C2 ZINC001110756465 1008423191 /nfs/dbraw/zinc/42/31/91/1008423191.db2.gz BKNIESJUVLHDQZ-NXHRZFHOSA-N 1 2 364.873 2.556 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCCOc1ccccc1)C2 ZINC001110756465 1008423193 /nfs/dbraw/zinc/42/31/93/1008423193.db2.gz BKNIESJUVLHDQZ-NXHRZFHOSA-N 1 2 364.873 2.556 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2ncsc2Nc2ccccc2C)CC1 ZINC001136499065 1008493628 /nfs/dbraw/zinc/49/36/28/1008493628.db2.gz JWMDJXSIZUARHG-UHFFFAOYSA-N 1 2 354.479 2.976 20 30 FFEDLO C[C@H](NC(=O)CO[NH+]=C(N)Cc1cccnc1)c1ccc2ccccc2c1 ZINC000137647174 1008637240 /nfs/dbraw/zinc/63/72/40/1008637240.db2.gz WJOPVMOZAKSBAL-HNNXBMFYSA-N 1 2 362.433 2.944 20 30 FFEDLO C#CC[C@H]1CC[N@@H+]([C@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)C1 ZINC000886360268 1008649172 /nfs/dbraw/zinc/64/91/72/1008649172.db2.gz SNGLEDHUOOYVNF-OLZOCXBDSA-N 1 2 373.478 2.876 20 30 FFEDLO C#CC[C@H]1CC[N@H+]([C@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)C1 ZINC000886360268 1008649178 /nfs/dbraw/zinc/64/91/78/1008649178.db2.gz SNGLEDHUOOYVNF-OLZOCXBDSA-N 1 2 373.478 2.876 20 30 FFEDLO N#Cc1ccc(-c2cc(N3CC[NH+](Cc4cccc(C#N)n4)CC3)n[nH]2)cc1 ZINC001206585351 1032351473 /nfs/dbraw/zinc/35/14/73/1032351473.db2.gz NNWLSRSHWAWDQG-UHFFFAOYSA-N 1 2 369.432 2.537 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2csc(CCCC)n2)C[C@H]1C ZINC001206585841 1032351612 /nfs/dbraw/zinc/35/16/12/1032351612.db2.gz FOXUACCMFYIYEC-GDBMZVCRSA-N 1 2 351.516 2.625 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2csc(CCCC)n2)C[C@H]1C ZINC001206585841 1032351624 /nfs/dbraw/zinc/35/16/24/1032351624.db2.gz FOXUACCMFYIYEC-GDBMZVCRSA-N 1 2 351.516 2.625 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)ns1 ZINC001095359365 1008967893 /nfs/dbraw/zinc/96/78/93/1008967893.db2.gz FSUHRKQNWDXTAO-RYRKJORJSA-N 1 2 352.463 2.859 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)ns1 ZINC001095359365 1008967903 /nfs/dbraw/zinc/96/79/03/1008967903.db2.gz FSUHRKQNWDXTAO-RYRKJORJSA-N 1 2 352.463 2.859 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCOCC2)C3)c(F)c1 ZINC001095368462 1009047244 /nfs/dbraw/zinc/04/72/44/1009047244.db2.gz CSDNHCDWUBAFKT-RKOGWWSCSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCOCC2)C3)c(F)c1 ZINC001095368462 1009047259 /nfs/dbraw/zinc/04/72/59/1009047259.db2.gz CSDNHCDWUBAFKT-RKOGWWSCSA-N 1 2 371.456 2.736 20 30 FFEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000823890870 1009275149 /nfs/dbraw/zinc/27/51/49/1009275149.db2.gz CMCZGOMZJOCNFE-DOTOQJQBSA-N 1 2 355.486 2.713 20 30 FFEDLO CC#CCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001274162727 1009516007 /nfs/dbraw/zinc/51/60/07/1009516007.db2.gz BECTYHQDTKNBOW-KDURUIRLSA-N 1 2 361.530 2.504 20 30 FFEDLO CC#CCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001274162727 1009516016 /nfs/dbraw/zinc/51/60/16/1009516016.db2.gz BECTYHQDTKNBOW-KDURUIRLSA-N 1 2 361.530 2.504 20 30 FFEDLO CC(C)(C#N)c1ccccc1CN1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000135117455 1009518079 /nfs/dbraw/zinc/51/80/79/1009518079.db2.gz KIKNUTSVTMHCFW-UHFFFAOYSA-N 1 2 368.525 2.618 20 30 FFEDLO CC(C)(C#N)c1ccccc1CN1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000135117455 1009518087 /nfs/dbraw/zinc/51/80/87/1009518087.db2.gz KIKNUTSVTMHCFW-UHFFFAOYSA-N 1 2 368.525 2.618 20 30 FFEDLO O=C(c1c[nH+]ccc1Nc1ccccc1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000887769544 1009576075 /nfs/dbraw/zinc/57/60/75/1009576075.db2.gz METSBTTUSWVUSH-UHFFFAOYSA-N 1 2 363.417 2.725 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1)OCC ZINC001093018357 1009619712 /nfs/dbraw/zinc/61/97/12/1009619712.db2.gz FDXPJCIDWYXYIV-BDXSIMOUSA-N 1 2 372.513 2.945 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nc(C)[nH+]c(C)c2C)CCC1 ZINC001093021885 1009628295 /nfs/dbraw/zinc/62/82/95/1009628295.db2.gz HROMIIXYLQVKHP-KURKYZTESA-N 1 2 352.482 2.821 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c(C)nn1 ZINC001097137597 1017094502 /nfs/dbraw/zinc/09/45/02/1017094502.db2.gz ZZUPJLSPBFLGDL-RLLQIKCJSA-N 1 2 361.449 2.500 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c(C)nn1 ZINC001097137597 1017094520 /nfs/dbraw/zinc/09/45/20/1017094520.db2.gz ZZUPJLSPBFLGDL-RLLQIKCJSA-N 1 2 361.449 2.500 20 30 FFEDLO C[C@@H](CNC(=O)c1sccc1CC#N)[NH+]1CCN(c2ccccc2)CC1 ZINC000864873103 1010609708 /nfs/dbraw/zinc/60/97/08/1010609708.db2.gz ULMODDSTCBDEDU-INIZCTEOSA-N 1 2 368.506 2.755 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(-c3ccccc3)n2)C[C@H]1C ZINC001206911297 1032492387 /nfs/dbraw/zinc/49/23/87/1032492387.db2.gz JOKLHYDQSXNYRT-YLJYHZDGSA-N 1 2 350.466 2.612 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(-c3ccccc3)n2)C[C@H]1C ZINC001206911297 1032492391 /nfs/dbraw/zinc/49/23/91/1032492391.db2.gz JOKLHYDQSXNYRT-YLJYHZDGSA-N 1 2 350.466 2.612 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2csc(C(C)(C)C)n2)C[C@H]1C ZINC001206917929 1032497856 /nfs/dbraw/zinc/49/78/56/1032497856.db2.gz FURFQSIXKZSIQC-MUKKUYKPSA-N 1 2 365.543 2.704 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2csc(C(C)(C)C)n2)C[C@H]1C ZINC001206917929 1032497859 /nfs/dbraw/zinc/49/78/59/1032497859.db2.gz FURFQSIXKZSIQC-MUKKUYKPSA-N 1 2 365.543 2.704 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)[C@@H]1CCCCO1 ZINC001095321679 1010812574 /nfs/dbraw/zinc/81/25/74/1010812574.db2.gz JDIYOGBRVRMKLS-FYQPLNBISA-N 1 2 372.896 2.982 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)[C@@H]1CCCCO1 ZINC001095321679 1010812579 /nfs/dbraw/zinc/81/25/79/1010812579.db2.gz JDIYOGBRVRMKLS-FYQPLNBISA-N 1 2 372.896 2.982 20 30 FFEDLO CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cccc(C#N)c3O)C2)ncn1 ZINC000866296074 1010973336 /nfs/dbraw/zinc/97/33/36/1010973336.db2.gz OLQQLFXVCFTFSB-RHSMWYFYSA-N 1 2 351.454 2.936 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Oc1ccc(OC)cc1)C2 ZINC001110876654 1011307225 /nfs/dbraw/zinc/30/72/25/1011307225.db2.gz RXNRZVXLEXOOKN-JFTQMJAMSA-N 1 2 364.873 2.937 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Oc1ccc(OC)cc1)C2 ZINC001110876654 1011307241 /nfs/dbraw/zinc/30/72/41/1011307241.db2.gz RXNRZVXLEXOOKN-JFTQMJAMSA-N 1 2 364.873 2.937 20 30 FFEDLO N#Cc1cccc(OCC(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)c1 ZINC001274466083 1011454765 /nfs/dbraw/zinc/45/47/65/1011454765.db2.gz UVMPQVPTGUIXOC-UHFFFAOYSA-N 1 2 367.371 2.566 20 30 FFEDLO N#Cc1cccc(OCC(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)c1 ZINC001274466083 1011454777 /nfs/dbraw/zinc/45/47/77/1011454777.db2.gz UVMPQVPTGUIXOC-UHFFFAOYSA-N 1 2 367.371 2.566 20 30 FFEDLO CCc1ccc2c(C[NH+]3CCN(c4cnccc4C#N)CC3)cc(=O)oc2c1 ZINC000795050590 1011578993 /nfs/dbraw/zinc/57/89/93/1011578993.db2.gz MJDBXNXJXZPXSL-UHFFFAOYSA-N 1 2 374.444 2.944 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCC[C@@H](CC#N)C3)C2)c1 ZINC000869098116 1011608050 /nfs/dbraw/zinc/60/80/50/1011608050.db2.gz RYTBRUXEGPGSPA-ICSRJNTNSA-N 1 2 370.497 2.531 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCC[C@@H](CC#N)C3)C2)c1 ZINC000869098116 1011608057 /nfs/dbraw/zinc/60/80/57/1011608057.db2.gz RYTBRUXEGPGSPA-ICSRJNTNSA-N 1 2 370.497 2.531 20 30 FFEDLO C#CCCCCCCCCC(=O)N1CC2(CC[N@@H+]2CCn2ccnc2)C1 ZINC001274796130 1011657818 /nfs/dbraw/zinc/65/78/18/1011657818.db2.gz NZIQTBQAIJBESF-UHFFFAOYSA-N 1 2 356.514 2.924 20 30 FFEDLO C#CCCCCCCCCC(=O)N1CC2(CC[N@H+]2CCn2ccnc2)C1 ZINC001274796130 1011657830 /nfs/dbraw/zinc/65/78/30/1011657830.db2.gz NZIQTBQAIJBESF-UHFFFAOYSA-N 1 2 356.514 2.924 20 30 FFEDLO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CC2(C1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001172314667 1011742523 /nfs/dbraw/zinc/74/25/23/1011742523.db2.gz LEDWNZKCGRRTNA-INIZCTEOSA-N 1 2 371.481 2.811 20 30 FFEDLO COC(=O)c1cc(C#N)cc(C)c1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212673059 1011931227 /nfs/dbraw/zinc/93/12/27/1011931227.db2.gz DLUWUIDMZVZZEG-UHFFFAOYSA-N 1 2 351.406 2.573 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC000958676542 1012072681 /nfs/dbraw/zinc/07/26/81/1012072681.db2.gz VFWDICWMKJWETM-RHSMWYFYSA-N 1 2 366.465 2.576 20 30 FFEDLO C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001275228593 1012108273 /nfs/dbraw/zinc/10/82/73/1012108273.db2.gz DLFMEZFSJOFFRP-LJQANCHMSA-N 1 2 364.392 2.588 20 30 FFEDLO C=C(C)CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001275228593 1012108284 /nfs/dbraw/zinc/10/82/84/1012108284.db2.gz DLFMEZFSJOFFRP-LJQANCHMSA-N 1 2 364.392 2.588 20 30 FFEDLO O=C(c1ccc(F)cc1)N1CCC([N@@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001173001492 1012171320 /nfs/dbraw/zinc/17/13/20/1012171320.db2.gz IGGYVOKNLNXJPY-QGZVFWFLSA-N 1 2 360.454 2.704 20 30 FFEDLO O=C(c1ccc(F)cc1)N1CCC([N@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001173001492 1012171331 /nfs/dbraw/zinc/17/13/31/1012171331.db2.gz IGGYVOKNLNXJPY-QGZVFWFLSA-N 1 2 360.454 2.704 20 30 FFEDLO O=C(c1ccc(F)cc1)N1CCC([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001173001492 1012171337 /nfs/dbraw/zinc/17/13/37/1012171337.db2.gz IGGYVOKNLNXJPY-QGZVFWFLSA-N 1 2 360.454 2.704 20 30 FFEDLO O=C(c1ccc(F)cc1)N1CCC([N@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001173001492 1012171345 /nfs/dbraw/zinc/17/13/45/1012171345.db2.gz IGGYVOKNLNXJPY-QGZVFWFLSA-N 1 2 360.454 2.704 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c[nH]c(Br)c1 ZINC001276751622 1032605813 /nfs/dbraw/zinc/60/58/13/1032605813.db2.gz XSAUWYZTCPFTQW-INIZCTEOSA-N 1 2 352.276 2.920 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c[nH]c(Br)c1 ZINC001276751622 1032605818 /nfs/dbraw/zinc/60/58/18/1032605818.db2.gz XSAUWYZTCPFTQW-INIZCTEOSA-N 1 2 352.276 2.920 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)OCC1=O ZINC001275282363 1012203279 /nfs/dbraw/zinc/20/32/79/1012203279.db2.gz PQESIGPOIAYXDM-KRWDZBQOSA-N 1 2 355.265 2.983 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)OCC1=O ZINC001275282363 1012203290 /nfs/dbraw/zinc/20/32/90/1012203290.db2.gz PQESIGPOIAYXDM-KRWDZBQOSA-N 1 2 355.265 2.983 20 30 FFEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1cnc(Cl)s1)CC2 ZINC001275349913 1012351944 /nfs/dbraw/zinc/35/19/44/1012351944.db2.gz ZCGRDWDMJAYUIZ-CYBMUJFWSA-N 1 2 352.891 2.819 20 30 FFEDLO COC(=O)[C@@H]([NH2+]C1CCC(CC#N)CC1)C(C)(C)NC(=O)OC(C)(C)C ZINC001173325473 1012443201 /nfs/dbraw/zinc/44/32/01/1012443201.db2.gz JMPBPUSNYRMZAV-YMAMQOFZSA-N 1 2 367.490 2.893 20 30 FFEDLO C=CC[C@@H]([NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)OC ZINC001173413728 1012539585 /nfs/dbraw/zinc/53/95/85/1012539585.db2.gz RQJFLOAYHMSWQN-MRXNPFEDSA-N 1 2 350.846 2.652 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1[nH]c(-c2ccccc2)nc1Cl ZINC001275496183 1012539835 /nfs/dbraw/zinc/53/98/35/1012539835.db2.gz SPNLYAFOBJPKBT-IAGOWNOFSA-N 1 2 368.868 2.929 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1[nH]c(-c2ccccc2)nc1Cl ZINC001275496183 1012539849 /nfs/dbraw/zinc/53/98/49/1012539849.db2.gz SPNLYAFOBJPKBT-IAGOWNOFSA-N 1 2 368.868 2.929 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1cccc(OC(F)(F)F)c1)C2 ZINC001275688686 1012866068 /nfs/dbraw/zinc/86/60/68/1012866068.db2.gz UUWPTSGIMKDBGJ-UHFFFAOYSA-N 1 2 370.371 2.575 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C)n(C)n1)c1ccccc1 ZINC001111443620 1017115769 /nfs/dbraw/zinc/11/57/69/1017115769.db2.gz QXEBJSPHZKZBFQ-NCYKPQTJSA-N 1 2 364.493 2.920 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C)n(C)n1)c1ccccc1 ZINC001111443620 1017115777 /nfs/dbraw/zinc/11/57/77/1017115777.db2.gz QXEBJSPHZKZBFQ-NCYKPQTJSA-N 1 2 364.493 2.920 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1C ZINC001051035940 1017203533 /nfs/dbraw/zinc/20/35/33/1017203533.db2.gz WMWZXGHDSFCTTC-NCOADZHNSA-N 1 2 358.486 2.583 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncn1-c1ccccc1)C2 ZINC001097222676 1017211972 /nfs/dbraw/zinc/21/19/72/1017211972.db2.gz GPKCEFINKQRIAV-ZACQAIPSSA-N 1 2 356.857 2.960 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncn1-c1ccccc1)C2 ZINC001097222676 1017211979 /nfs/dbraw/zinc/21/19/79/1017211979.db2.gz GPKCEFINKQRIAV-ZACQAIPSSA-N 1 2 356.857 2.960 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(OC)ccn1 ZINC001097220558 1017212347 /nfs/dbraw/zinc/21/23/47/1017212347.db2.gz VBUDQUDKGFLBQE-QRQLOZEOSA-N 1 2 366.465 2.613 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(OC)ccn1 ZINC001097220558 1017212351 /nfs/dbraw/zinc/21/23/51/1017212351.db2.gz VBUDQUDKGFLBQE-QRQLOZEOSA-N 1 2 366.465 2.613 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cnc(C2CC2)o1 ZINC001097244651 1017243509 /nfs/dbraw/zinc/24/35/09/1017243509.db2.gz IWSAFRAMOMRIIG-QRVBRYPASA-N 1 2 361.445 2.939 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cnc(C2CC2)o1 ZINC001097244651 1017243516 /nfs/dbraw/zinc/24/35/16/1017243516.db2.gz IWSAFRAMOMRIIG-QRVBRYPASA-N 1 2 361.445 2.939 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(C3CC3)n1)C2 ZINC001097987512 1017374544 /nfs/dbraw/zinc/37/45/44/1017374544.db2.gz AWPXLXPYTAFTHO-LMMKCTJWSA-N 1 2 362.433 2.959 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(C3CC3)n1)C2 ZINC001097987512 1017374557 /nfs/dbraw/zinc/37/45/57/1017374557.db2.gz AWPXLXPYTAFTHO-LMMKCTJWSA-N 1 2 362.433 2.959 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3cccnn31)C2 ZINC001097993293 1017531932 /nfs/dbraw/zinc/53/19/32/1017531932.db2.gz NGMYGSFSWPVUGP-AQNXPRMDSA-N 1 2 371.444 2.741 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3cccnn31)C2 ZINC001097993293 1017531948 /nfs/dbraw/zinc/53/19/48/1017531948.db2.gz NGMYGSFSWPVUGP-AQNXPRMDSA-N 1 2 371.444 2.741 20 30 FFEDLO CC[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cccc(C#N)c1O ZINC000924985081 1017572402 /nfs/dbraw/zinc/57/24/02/1017572402.db2.gz GGAVBYUBYFXLIA-SFHVURJKSA-N 1 2 374.462 2.787 20 30 FFEDLO C=CCOCCNC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000679874636 1017667722 /nfs/dbraw/zinc/66/77/22/1017667722.db2.gz XTPVDGXLDVUCBS-RDJZCZTQSA-N 1 2 371.403 2.741 20 30 FFEDLO C=CCOCCNC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000679874636 1017667728 /nfs/dbraw/zinc/66/77/28/1017667728.db2.gz XTPVDGXLDVUCBS-RDJZCZTQSA-N 1 2 371.403 2.741 20 30 FFEDLO CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 ZINC000926113865 1017971896 /nfs/dbraw/zinc/97/18/96/1017971896.db2.gz BPDPYSVEDNGCEN-WMLDXEAASA-N 1 2 352.442 2.577 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(F)F)n[nH]1)C2 ZINC001097824807 1017988720 /nfs/dbraw/zinc/98/87/20/1017988720.db2.gz CALQCXLRCGDIIM-CPUCHLNUSA-N 1 2 371.391 2.754 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(F)F)n[nH]1)C2 ZINC001097824807 1017988726 /nfs/dbraw/zinc/98/87/26/1017988726.db2.gz CALQCXLRCGDIIM-CPUCHLNUSA-N 1 2 371.391 2.754 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccncc1Cl ZINC001097879641 1018151402 /nfs/dbraw/zinc/15/14/02/1018151402.db2.gz ZXXQJOAVELFZDD-XQZMSQOBSA-N 1 2 361.873 2.548 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccncc1Cl ZINC001097879641 1018151408 /nfs/dbraw/zinc/15/14/08/1018151408.db2.gz ZXXQJOAVELFZDD-XQZMSQOBSA-N 1 2 361.873 2.548 20 30 FFEDLO C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1CCNc1ccc(C#N)nc1 ZINC001053405014 1018286891 /nfs/dbraw/zinc/28/68/91/1018286891.db2.gz CICXCGMHOKPTSY-HUUCEWRRSA-N 1 2 366.469 2.551 20 30 FFEDLO C[C@H](CC(=O)N1C[C@@H](C)[C@H](CCNc2ncccc2C#N)C1)n1cc[nH+]c1 ZINC001053533923 1018355896 /nfs/dbraw/zinc/35/58/96/1018355896.db2.gz RBCNGHPQEQBSMI-JFIYKMOQSA-N 1 2 366.469 2.698 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1F)O2 ZINC001053673317 1018410616 /nfs/dbraw/zinc/41/06/16/1018410616.db2.gz AWWGFNAQZOITJG-BPQIPLTHSA-N 1 2 358.457 2.855 20 30 FFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000827574914 1018499365 /nfs/dbraw/zinc/49/93/65/1018499365.db2.gz IZIFNPNEWWOYII-HZPDHXFCSA-N 1 2 359.470 2.574 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001067614201 1019088397 /nfs/dbraw/zinc/08/83/97/1019088397.db2.gz HKOKQTGFWITOCP-KURKYZTESA-N 1 2 358.486 2.584 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2cccc(OC)c2)C1 ZINC001042740688 1019131277 /nfs/dbraw/zinc/13/12/77/1019131277.db2.gz AYTOGBBMWALCPC-BEVDRBHNSA-N 1 2 358.482 2.880 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+]([C@H]2CCc3ccc(F)cc32)C1 ZINC001042741751 1019131445 /nfs/dbraw/zinc/13/14/45/1019131445.db2.gz VQUYLHNEQQGFTM-HOJAQTOUSA-N 1 2 358.457 2.937 20 30 FFEDLO C=CCCCC(=O)NC1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001069449123 1019469584 /nfs/dbraw/zinc/46/95/84/1019469584.db2.gz RGRUYFJHRLXRRO-HZPDHXFCSA-N 1 2 358.486 2.757 20 30 FFEDLO C=CCCCC(=O)NC1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001069449123 1019469588 /nfs/dbraw/zinc/46/95/88/1019469588.db2.gz RGRUYFJHRLXRRO-HZPDHXFCSA-N 1 2 358.486 2.757 20 30 FFEDLO Cc1nc(N[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C)ccc1C#N ZINC001043606980 1019535939 /nfs/dbraw/zinc/53/59/39/1019535939.db2.gz SJKVOXXIJUDGGL-KZULUSFZSA-N 1 2 360.421 2.711 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001069759478 1019588796 /nfs/dbraw/zinc/58/87/96/1019588796.db2.gz CTHKKAUXBUDOGW-CBGDNZLLSA-N 1 2 370.497 2.711 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001069759478 1019588809 /nfs/dbraw/zinc/58/88/09/1019588809.db2.gz CTHKKAUXBUDOGW-CBGDNZLLSA-N 1 2 370.497 2.711 20 30 FFEDLO C=C(C)CCC(=O)N1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001069756007 1019589486 /nfs/dbraw/zinc/58/94/86/1019589486.db2.gz KXWARALGSSUSGH-LZJOCLMNSA-N 1 2 370.497 2.711 20 30 FFEDLO C=C(C)CCC(=O)N1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001069756007 1019589498 /nfs/dbraw/zinc/58/94/98/1019589498.db2.gz KXWARALGSSUSGH-LZJOCLMNSA-N 1 2 370.497 2.711 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001069795236 1019603675 /nfs/dbraw/zinc/60/36/75/1019603675.db2.gz FADRVNCGAJHILZ-BACDZXNISA-N 1 2 356.470 2.655 20 30 FFEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2sc3ccccc3c2C)[C@@H](n2ccnn2)C1 ZINC001069973701 1019698263 /nfs/dbraw/zinc/69/82/63/1019698263.db2.gz HLFATEMXJBOMSA-CVEARBPZSA-N 1 2 367.478 2.643 20 30 FFEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2sc3ccccc3c2C)[C@@H](n2ccnn2)C1 ZINC001069973701 1019698271 /nfs/dbraw/zinc/69/82/71/1019698271.db2.gz HLFATEMXJBOMSA-CVEARBPZSA-N 1 2 367.478 2.643 20 30 FFEDLO CCc1ncoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095986737 1019707248 /nfs/dbraw/zinc/70/72/48/1019707248.db2.gz YEFVXPMDZWYJEF-JLSDUUJJSA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1ncoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095986737 1019707262 /nfs/dbraw/zinc/70/72/62/1019707262.db2.gz YEFVXPMDZWYJEF-JLSDUUJJSA-N 1 2 368.412 2.783 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H](O)CCOCc3ccccc3)CCO2)c1 ZINC000930134623 1019884611 /nfs/dbraw/zinc/88/46/11/1019884611.db2.gz IVJVCRCDBCDKSP-FCHUYYIVSA-N 1 2 366.461 2.899 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H](O)CCOCc3ccccc3)CCO2)c1 ZINC000930134623 1019884626 /nfs/dbraw/zinc/88/46/26/1019884626.db2.gz IVJVCRCDBCDKSP-FCHUYYIVSA-N 1 2 366.461 2.899 20 30 FFEDLO N#CCCn1ncc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)c1-c1ccccc1 ZINC000802238773 1019921710 /nfs/dbraw/zinc/92/17/10/1019921710.db2.gz HTTRSNCUSHAKSZ-MRXNPFEDSA-N 1 2 356.401 2.664 20 30 FFEDLO N#CCCn1ncc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)c1-c1ccccc1 ZINC000802238773 1019921719 /nfs/dbraw/zinc/92/17/19/1019921719.db2.gz HTTRSNCUSHAKSZ-MRXNPFEDSA-N 1 2 356.401 2.664 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CCCC[C@H]2NC(=O)c2cccc3[nH+]ccn32)cn1 ZINC001045665924 1020082886 /nfs/dbraw/zinc/08/28/86/1020082886.db2.gz PIJWCOSHZINLMV-IAGOWNOFSA-N 1 2 360.421 2.754 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110995969 1020161488 /nfs/dbraw/zinc/16/14/88/1020161488.db2.gz AGKVNFFESBUOTJ-CGXNFDGLSA-N 1 2 372.484 2.960 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110995969 1020161493 /nfs/dbraw/zinc/16/14/93/1020161493.db2.gz AGKVNFFESBUOTJ-CGXNFDGLSA-N 1 2 372.484 2.960 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]3C[C@H](c4nc(C)no4)O[C@@H]3C2)c(C#N)c1 ZINC001137700948 1032880933 /nfs/dbraw/zinc/88/09/33/1032880933.db2.gz GDAPVYQDNHFGOF-MORSLUCNSA-N 1 2 354.410 2.610 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]3C[C@H](c4nc(C)no4)O[C@@H]3C2)c(C#N)c1 ZINC001137700948 1032880953 /nfs/dbraw/zinc/88/09/53/1032880953.db2.gz GDAPVYQDNHFGOF-MORSLUCNSA-N 1 2 354.410 2.610 20 30 FFEDLO CC(C)(C)OC(=O)N1CC(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000800365767 1020254575 /nfs/dbraw/zinc/25/45/75/1020254575.db2.gz OLVSRIKHJFYCFX-GOSISDBHSA-N 1 2 357.454 2.798 20 30 FFEDLO CC(C)(C)OC(=O)N1CC(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000800365767 1020254581 /nfs/dbraw/zinc/25/45/81/1020254581.db2.gz OLVSRIKHJFYCFX-GOSISDBHSA-N 1 2 357.454 2.798 20 30 FFEDLO C=CC[N@H+](CN1C(=O)N[C@@](C)(CCc2ccc3c(c2)OCO3)C1=O)C(C)C ZINC000725769851 1020255652 /nfs/dbraw/zinc/25/56/52/1020255652.db2.gz MIKJNJHIUWMYAH-FQEVSTJZSA-N 1 2 373.453 2.512 20 30 FFEDLO C=CC[N@@H+](CN1C(=O)N[C@@](C)(CCc2ccc3c(c2)OCO3)C1=O)C(C)C ZINC000725769851 1020255659 /nfs/dbraw/zinc/25/56/59/1020255659.db2.gz MIKJNJHIUWMYAH-FQEVSTJZSA-N 1 2 373.453 2.512 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C4CC4)n[nH]2)C3)s1 ZINC001096054883 1020306733 /nfs/dbraw/zinc/30/67/33/1020306733.db2.gz OQILGOZBNKWZQL-PUECVXPYSA-N 1 2 367.478 2.756 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C4CC4)n[nH]2)C3)s1 ZINC001096054883 1020306741 /nfs/dbraw/zinc/30/67/41/1020306741.db2.gz OQILGOZBNKWZQL-PUECVXPYSA-N 1 2 367.478 2.756 20 30 FFEDLO C[C@]1(Cc2ccccc2)CC(=O)N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1 ZINC000902606319 1020334497 /nfs/dbraw/zinc/33/44/97/1020334497.db2.gz AUBKIXZORSGHKG-NRFANRHFSA-N 1 2 368.477 2.763 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC001048631863 1020382460 /nfs/dbraw/zinc/38/24/60/1020382460.db2.gz SJFZRCWRQQTJSL-DOTOQJQBSA-N 1 2 366.469 2.896 20 30 FFEDLO C[C@H]1C[N@H+](CCNC(=O)Nc2cccc(C#Cc3cccs3)c2)CCO1 ZINC000726257496 1020447270 /nfs/dbraw/zinc/44/72/70/1020447270.db2.gz HIQLPEVBSTVQMR-INIZCTEOSA-N 1 2 369.490 2.990 20 30 FFEDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2cccc(C#Cc3cccs3)c2)CCO1 ZINC000726257496 1020447272 /nfs/dbraw/zinc/44/72/72/1020447272.db2.gz HIQLPEVBSTVQMR-INIZCTEOSA-N 1 2 369.490 2.990 20 30 FFEDLO C=CCC1(C(=O)N2CCC(C)(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CCC1 ZINC001073242347 1020451728 /nfs/dbraw/zinc/45/17/28/1020451728.db2.gz DUBMRZQCNITPTF-HZPDHXFCSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC1(C(=O)N2CCC(C)(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CCC1 ZINC001073242347 1020451739 /nfs/dbraw/zinc/45/17/39/1020451739.db2.gz DUBMRZQCNITPTF-HZPDHXFCSA-N 1 2 370.497 2.757 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CCCC[C@H]2NC(=O)c2cc3c[nH+]ccc3[nH]2)nc1 ZINC001046171199 1020519368 /nfs/dbraw/zinc/51/93/68/1020519368.db2.gz FQNZLEVPICYLIA-IAGOWNOFSA-N 1 2 360.421 2.983 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001073662599 1020606470 /nfs/dbraw/zinc/60/64/70/1020606470.db2.gz NWVWBNWIVAOLJN-OWCLPIDISA-N 1 2 354.903 2.811 20 30 FFEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001073662599 1020606473 /nfs/dbraw/zinc/60/64/73/1020606473.db2.gz NWVWBNWIVAOLJN-OWCLPIDISA-N 1 2 354.903 2.811 20 30 FFEDLO CCc1oncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001096092965 1020612513 /nfs/dbraw/zinc/61/25/13/1020612513.db2.gz YPQWRGKGUYNTBQ-NEWSRXKRSA-N 1 2 367.424 2.763 20 30 FFEDLO CCc1oncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001096092965 1020612522 /nfs/dbraw/zinc/61/25/22/1020612522.db2.gz YPQWRGKGUYNTBQ-NEWSRXKRSA-N 1 2 367.424 2.763 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cccc(C#CCO)c3)CC2)s1 ZINC000900778415 1020641494 /nfs/dbraw/zinc/64/14/94/1020641494.db2.gz ZVNLSIOMPWXBOL-UHFFFAOYSA-N 1 2 368.502 2.612 20 30 FFEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C3(C#N)CCSCC3)CC2)c1 ZINC000931966651 1020650356 /nfs/dbraw/zinc/65/03/56/1020650356.db2.gz SFANZAAKFGSYGT-MRXNPFEDSA-N 1 2 373.522 2.937 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098324194 1020827828 /nfs/dbraw/zinc/82/78/28/1020827828.db2.gz CWUUUQNNBADGHC-QBIMZIAESA-N 1 2 358.486 2.562 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)nnn3CC)C2 ZINC001098375193 1020855568 /nfs/dbraw/zinc/85/55/68/1020855568.db2.gz IFOXMJDHPCTKED-FMKPAKJESA-N 1 2 359.861 2.539 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)nnn3CC)C2 ZINC001098375193 1020855572 /nfs/dbraw/zinc/85/55/72/1020855572.db2.gz IFOXMJDHPCTKED-FMKPAKJESA-N 1 2 359.861 2.539 20 30 FFEDLO C=CCn1ncc2ccc(NC(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)cc21 ZINC000933071596 1020950356 /nfs/dbraw/zinc/95/03/56/1020950356.db2.gz CKWGTHWFYMHKEF-GOSISDBHSA-N 1 2 369.469 2.551 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(N3CCCOC3=O)CC2)c1C ZINC000933624898 1021051709 /nfs/dbraw/zinc/05/17/09/1021051709.db2.gz YFQXAMLLTGFBDX-UHFFFAOYSA-N 1 2 359.470 2.780 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnccc2C)C1 ZINC001098771689 1021129821 /nfs/dbraw/zinc/12/98/21/1021129821.db2.gz WRKBEGMZAMCFQG-YOEHRIQHSA-N 1 2 364.287 2.883 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnccc2C)C1 ZINC001098771689 1021129823 /nfs/dbraw/zinc/12/98/23/1021129823.db2.gz WRKBEGMZAMCFQG-YOEHRIQHSA-N 1 2 364.287 2.883 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc3ccccc3n2CC#N)C1 ZINC001116295978 1021156861 /nfs/dbraw/zinc/15/68/61/1021156861.db2.gz OTINPLIWJVTLAR-INIZCTEOSA-N 1 2 361.449 2.993 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934418556 1021228686 /nfs/dbraw/zinc/22/86/86/1021228686.db2.gz OUHYELBYKQTREG-YWZLYKJASA-N 1 2 353.470 2.951 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934418556 1021228692 /nfs/dbraw/zinc/22/86/92/1021228692.db2.gz OUHYELBYKQTREG-YWZLYKJASA-N 1 2 353.470 2.951 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3cc(F)ccc3o1)C2 ZINC001111078146 1021330711 /nfs/dbraw/zinc/33/07/11/1021330711.db2.gz LMFGMPWZJALIRV-ZACQAIPSSA-N 1 2 356.397 2.557 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3cc(F)ccc3o1)C2 ZINC001111078146 1021330730 /nfs/dbraw/zinc/33/07/30/1021330730.db2.gz LMFGMPWZJALIRV-ZACQAIPSSA-N 1 2 356.397 2.557 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@H](C)c2nc(C)no2)C3)cc1 ZINC001098973180 1021512002 /nfs/dbraw/zinc/51/20/02/1021512002.db2.gz ZALVSBIRAZQMEO-IBZMOEQTSA-N 1 2 364.449 2.705 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@H](C)c2nc(C)no2)C3)cc1 ZINC001098973180 1021512006 /nfs/dbraw/zinc/51/20/06/1021512006.db2.gz ZALVSBIRAZQMEO-IBZMOEQTSA-N 1 2 364.449 2.705 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000778309539 1021599270 /nfs/dbraw/zinc/59/92/70/1021599270.db2.gz QXXSQKPGVKOHKU-SFQUDFHCSA-N 1 2 364.436 2.959 20 30 FFEDLO C[C@@H](O[NH+]=C(N)c1ccc(OCc2ccccc2)cc1)C(=O)NC1CC1 ZINC000113249452 1021890741 /nfs/dbraw/zinc/89/07/41/1021890741.db2.gz HMHFOJJNCIIAFB-CQSZACIVSA-N 1 2 353.422 2.570 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)N[C@H](C)c2ccccc2C)cc1 ZINC000113249025 1021892209 /nfs/dbraw/zinc/89/22/09/1021892209.db2.gz AAWJDQYSIRQTPZ-CABCVRRESA-N 1 2 355.438 2.906 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)c1 ZINC001015737193 1021955558 /nfs/dbraw/zinc/95/55/58/1021955558.db2.gz XUMVZANSRJWMMN-GBESFXJTSA-N 1 2 364.424 2.587 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)c1 ZINC001015737193 1021955565 /nfs/dbraw/zinc/95/55/65/1021955565.db2.gz XUMVZANSRJWMMN-GBESFXJTSA-N 1 2 364.424 2.587 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001015817012 1021961543 /nfs/dbraw/zinc/96/15/43/1021961543.db2.gz RXSLUBDYJLKWIZ-HBFSDRIKSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001015817012 1021961551 /nfs/dbraw/zinc/96/15/51/1021961551.db2.gz RXSLUBDYJLKWIZ-HBFSDRIKSA-N 1 2 371.456 2.759 20 30 FFEDLO CS(=O)(=O)c1ccc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)o1 ZINC001117948357 1021986070 /nfs/dbraw/zinc/98/60/70/1021986070.db2.gz UDJUVRMHCZWYMR-UHFFFAOYSA-N 1 2 357.353 2.843 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCc1nc(C3CC3)no1)C2 ZINC001111117614 1022000160 /nfs/dbraw/zinc/00/01/60/1022000160.db2.gz ZPLIMEPWSFUHJU-KFWWJZLASA-N 1 2 364.877 2.744 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCc1nc(C3CC3)no1)C2 ZINC001111117614 1022000178 /nfs/dbraw/zinc/00/01/78/1022000178.db2.gz ZPLIMEPWSFUHJU-KFWWJZLASA-N 1 2 364.877 2.744 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3C(C)(C)C)[C@H]2C1 ZINC001222547834 1033045519 /nfs/dbraw/zinc/04/55/19/1033045519.db2.gz YQXSCWRNIVDAJD-MSOLQXFVSA-N 1 2 371.529 2.650 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3C(C)(C)C)[C@H]2C1 ZINC001222547834 1033045528 /nfs/dbraw/zinc/04/55/28/1033045528.db2.gz YQXSCWRNIVDAJD-MSOLQXFVSA-N 1 2 371.529 2.650 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC001118845219 1022433694 /nfs/dbraw/zinc/43/36/94/1022433694.db2.gz PAARUQFCOBSNLO-FPOVZHCZSA-N 1 2 350.418 2.756 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC001118845219 1022433698 /nfs/dbraw/zinc/43/36/98/1022433698.db2.gz PAARUQFCOBSNLO-FPOVZHCZSA-N 1 2 350.418 2.756 20 30 FFEDLO COCCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001111213573 1022436982 /nfs/dbraw/zinc/43/69/82/1022436982.db2.gz BOCGJIMRSOPBJU-QRQLOZEOSA-N 1 2 373.472 2.982 20 30 FFEDLO COCCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001111213573 1022436988 /nfs/dbraw/zinc/43/69/88/1022436988.db2.gz BOCGJIMRSOPBJU-QRQLOZEOSA-N 1 2 373.472 2.982 20 30 FFEDLO N#Cc1cc2cc(Br)ccc2nc1O[C@H]1C[NH2+]CC1(F)F ZINC001218233067 1033060504 /nfs/dbraw/zinc/06/05/04/1033060504.db2.gz XTBKJRUKIXQFOU-LBPRGKRZSA-N 1 2 354.154 2.855 20 30 FFEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000778996645 1022623619 /nfs/dbraw/zinc/62/36/19/1022623619.db2.gz SKTMBWPDLFLXBH-UHFFFAOYSA-N 1 2 367.449 2.841 20 30 FFEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000778996645 1022623628 /nfs/dbraw/zinc/62/36/28/1022623628.db2.gz SKTMBWPDLFLXBH-UHFFFAOYSA-N 1 2 367.449 2.841 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001038723071 1022689000 /nfs/dbraw/zinc/68/90/00/1022689000.db2.gz WCOZBINPUWHZMR-NZSAHSFTSA-N 1 2 355.482 2.940 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001038723071 1022689006 /nfs/dbraw/zinc/68/90/06/1022689006.db2.gz WCOZBINPUWHZMR-NZSAHSFTSA-N 1 2 355.482 2.940 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001038809994 1022718053 /nfs/dbraw/zinc/71/80/53/1022718053.db2.gz LXCMCDJEXDWQIV-GBESFXJTSA-N 1 2 353.466 2.694 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001038809994 1022718065 /nfs/dbraw/zinc/71/80/65/1022718065.db2.gz LXCMCDJEXDWQIV-GBESFXJTSA-N 1 2 353.466 2.694 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001099734197 1022789443 /nfs/dbraw/zinc/78/94/43/1022789443.db2.gz ZRPMVRNZHLKATG-OWQGQXMQSA-N 1 2 358.486 2.950 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001040251771 1022812294 /nfs/dbraw/zinc/81/22/94/1022812294.db2.gz FTGWPXCJFZXUSH-ORQFMDKSSA-N 1 2 356.470 2.655 20 30 FFEDLO C=C(C)Cn1c(N2Cc3ccccc3[C@H]2C)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001122396028 1023241374 /nfs/dbraw/zinc/24/13/74/1023241374.db2.gz VLHJSEDORDSWSP-LDBYXDLTSA-N 1 2 367.497 2.847 20 30 FFEDLO C=C(C)Cn1c(N2Cc3ccccc3[C@H]2C)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001122396028 1023241375 /nfs/dbraw/zinc/24/13/75/1023241375.db2.gz VLHJSEDORDSWSP-LDBYXDLTSA-N 1 2 367.497 2.847 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1Cc2cccc(C#N)c2C1 ZINC001122490819 1023301628 /nfs/dbraw/zinc/30/16/28/1023301628.db2.gz VICXGSFAQUTPPP-UHFFFAOYSA-N 1 2 359.437 2.570 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(C)n1-c1ccc(C#N)cc1 ZINC000779213403 1023372855 /nfs/dbraw/zinc/37/28/55/1023372855.db2.gz IIHBXCDOXBYOIN-QGZVFWFLSA-N 1 2 359.433 2.907 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001122623085 1023375749 /nfs/dbraw/zinc/37/57/49/1023375749.db2.gz PNAJKRRFJSXNEP-KGLIPLIRSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001122623085 1023375755 /nfs/dbraw/zinc/37/57/55/1023375755.db2.gz PNAJKRRFJSXNEP-KGLIPLIRSA-N 1 2 373.423 2.779 20 30 FFEDLO CC(C)Cn1c(N2CCc3cc[nH+]c(N(C)C)c3C2)nnc1C(C)(C)C#N ZINC001122838531 1023506422 /nfs/dbraw/zinc/50/64/22/1023506422.db2.gz DUXDESFABGAJEK-UHFFFAOYSA-N 1 2 367.501 2.759 20 30 FFEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)c(C)c3)CC2)C1 ZINC000949489881 1023548302 /nfs/dbraw/zinc/54/83/02/1023548302.db2.gz UFMKCNJMJNFFNE-LEWJYISDSA-N 1 2 366.505 2.734 20 30 FFEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)c(C)c3)CC2)C1 ZINC000949489881 1023548305 /nfs/dbraw/zinc/54/83/05/1023548305.db2.gz UFMKCNJMJNFFNE-LEWJYISDSA-N 1 2 366.505 2.734 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001222767752 1033152344 /nfs/dbraw/zinc/15/23/44/1033152344.db2.gz MNHDZTRQZFFUNX-ZBFHGGJFSA-N 1 2 358.486 2.972 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001222767752 1033152346 /nfs/dbraw/zinc/15/23/46/1033152346.db2.gz MNHDZTRQZFFUNX-ZBFHGGJFSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001222781255 1033157865 /nfs/dbraw/zinc/15/78/65/1033157865.db2.gz KVWFVXTVELGBKR-AEFFLSMTSA-N 1 2 357.502 2.701 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001222781255 1033157870 /nfs/dbraw/zinc/15/78/70/1033157870.db2.gz KVWFVXTVELGBKR-AEFFLSMTSA-N 1 2 357.502 2.701 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(F)(F)C[C@H]1C ZINC001121495565 1023810161 /nfs/dbraw/zinc/81/01/61/1023810161.db2.gz LPCDVRZWWLQBOC-HUUCEWRRSA-N 1 2 369.460 2.870 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(F)(F)C[C@H]1C ZINC001121495565 1023810164 /nfs/dbraw/zinc/81/01/64/1023810164.db2.gz LPCDVRZWWLQBOC-HUUCEWRRSA-N 1 2 369.460 2.870 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(CCC)Cc1ccc(F)cc1 ZINC001121509002 1023817579 /nfs/dbraw/zinc/81/75/79/1023817579.db2.gz BGLTVMDIMNVSHQ-QZTJIDSGSA-N 1 2 373.476 2.757 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(CCC)Cc1ccc(F)cc1 ZINC001121509002 1023817585 /nfs/dbraw/zinc/81/75/85/1023817585.db2.gz BGLTVMDIMNVSHQ-QZTJIDSGSA-N 1 2 373.476 2.757 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC(c2ccccc2)CC1 ZINC001121510551 1023818358 /nfs/dbraw/zinc/81/83/58/1023818358.db2.gz QIGDYWLXUBFNCR-MOPGFXCFSA-N 1 2 367.497 2.586 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC(c2ccccc2)CC1 ZINC001121510551 1023818366 /nfs/dbraw/zinc/81/83/66/1023818366.db2.gz QIGDYWLXUBFNCR-MOPGFXCFSA-N 1 2 367.497 2.586 20 30 FFEDLO C=CCn1c([C@H](C)O)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC001121524187 1023825961 /nfs/dbraw/zinc/82/59/61/1023825961.db2.gz OSYYYSXVRFDMOP-INIZCTEOSA-N 1 2 370.501 2.655 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC000950590786 1023870019 /nfs/dbraw/zinc/87/00/19/1023870019.db2.gz ZDXWDPLOYUTNKR-UXHICEINSA-N 1 2 358.482 2.709 20 30 FFEDLO C=CCn1c(N2CCCC3(CCCC3)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001121608964 1023878985 /nfs/dbraw/zinc/87/89/85/1023878985.db2.gz XFFUUMVSXLQPCK-LPHOPBHVSA-N 1 2 359.518 2.536 20 30 FFEDLO C=CCn1c(N2CCCC3(CCCC3)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121608964 1023878996 /nfs/dbraw/zinc/87/89/96/1023878996.db2.gz XFFUUMVSXLQPCK-LPHOPBHVSA-N 1 2 359.518 2.536 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@H]1CCc2ccccc2C1 ZINC001121619795 1023885306 /nfs/dbraw/zinc/88/53/06/1023885306.db2.gz CMQXNCMSQCXOSO-SFHVURJKSA-N 1 2 362.481 2.782 20 30 FFEDLO CC[C@H]1CN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC)CCS1 ZINC001121712240 1023940714 /nfs/dbraw/zinc/94/07/14/1023940714.db2.gz JTKVAHTUAJVHKK-INIZCTEOSA-N 1 2 362.547 2.723 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C(F)F)C2 ZINC001111331792 1023952549 /nfs/dbraw/zinc/95/25/49/1023952549.db2.gz LJNGJXFRHRZDLH-BNOWGMLFSA-N 1 2 354.422 2.671 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C(F)F)C2 ZINC001111331792 1023952552 /nfs/dbraw/zinc/95/25/52/1023952552.db2.gz LJNGJXFRHRZDLH-BNOWGMLFSA-N 1 2 354.422 2.671 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@@H+]([C@@H](C)c3nnc(C)[nH]3)C[C@@]2(C)C1 ZINC001101249597 1024187622 /nfs/dbraw/zinc/18/76/22/1024187622.db2.gz CZJBYAJRIQDAQL-NQYLQCIDSA-N 1 2 357.502 2.723 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@H+]([C@@H](C)c3nnc(C)[nH]3)C[C@@]2(C)C1 ZINC001101249597 1024187628 /nfs/dbraw/zinc/18/76/28/1024187628.db2.gz CZJBYAJRIQDAQL-NQYLQCIDSA-N 1 2 357.502 2.723 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)c3nnc(C)[nH]3)C[C@@]2(C)C1 ZINC001101325431 1024454913 /nfs/dbraw/zinc/45/49/13/1024454913.db2.gz RYGNSBQMMMYGGS-VPWXQRGCSA-N 1 2 357.502 2.538 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@H+]([C@@H](C)c3nnc(C)[nH]3)C[C@@]2(C)C1 ZINC001101325431 1024454915 /nfs/dbraw/zinc/45/49/15/1024454915.db2.gz RYGNSBQMMMYGGS-VPWXQRGCSA-N 1 2 357.502 2.538 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000951785555 1024704224 /nfs/dbraw/zinc/70/42/24/1024704224.db2.gz SZDXRULUUQZHHC-RLLQIKCJSA-N 1 2 358.457 2.937 20 30 FFEDLO CC(C)CCOCCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000195339536 1024990686 /nfs/dbraw/zinc/99/06/86/1024990686.db2.gz VVLFFTAGGHWCPP-UHFFFAOYSA-N 1 2 356.470 2.709 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001141166144 1025552470 /nfs/dbraw/zinc/55/24/70/1025552470.db2.gz XCSBBTFTMBQSMO-HBFSDRIKSA-N 1 2 353.397 2.903 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001141166144 1025552477 /nfs/dbraw/zinc/55/24/77/1025552477.db2.gz XCSBBTFTMBQSMO-HBFSDRIKSA-N 1 2 353.397 2.903 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](Oc2ccc(C(N)=O)cc2)C1 ZINC001141168624 1025555796 /nfs/dbraw/zinc/55/57/96/1025555796.db2.gz RMUYFTFHWRFBDT-IBGZPJMESA-N 1 2 353.397 2.840 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](Oc2ccc(C(N)=O)cc2)C1 ZINC001141168624 1025555802 /nfs/dbraw/zinc/55/58/02/1025555802.db2.gz RMUYFTFHWRFBDT-IBGZPJMESA-N 1 2 353.397 2.840 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2ncc(Cl)n2C)C[C@H]1C ZINC001102328572 1025756831 /nfs/dbraw/zinc/75/68/31/1025756831.db2.gz OPGRVEZKEXYZEJ-LBTNJELSSA-N 1 2 352.910 2.860 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2ncc(Cl)n2C)C[C@H]1C ZINC001102328572 1025756846 /nfs/dbraw/zinc/75/68/46/1025756846.db2.gz OPGRVEZKEXYZEJ-LBTNJELSSA-N 1 2 352.910 2.860 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H]2C[N@@H+](Cc3nc(C(F)F)no3)C[C@H]2C)CCC1 ZINC001102331781 1025760865 /nfs/dbraw/zinc/76/08/65/1025760865.db2.gz SAFAIWDRPGPPEB-CHWSQXEVSA-N 1 2 368.428 2.938 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H]2C[N@H+](Cc3nc(C(F)F)no3)C[C@H]2C)CCC1 ZINC001102331781 1025760878 /nfs/dbraw/zinc/76/08/78/1025760878.db2.gz SAFAIWDRPGPPEB-CHWSQXEVSA-N 1 2 368.428 2.938 20 30 FFEDLO C=CC[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)Cc1cccc(C#N)c1 ZINC000839469226 1026690538 /nfs/dbraw/zinc/69/05/38/1026690538.db2.gz DHBVHSOLZAPPOO-UHFFFAOYSA-N 1 2 362.477 2.929 20 30 FFEDLO C=CC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)Cc1cccc(C#N)c1 ZINC000839469226 1026690542 /nfs/dbraw/zinc/69/05/42/1026690542.db2.gz DHBVHSOLZAPPOO-UHFFFAOYSA-N 1 2 362.477 2.929 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](CN3C[C@H]4CCC[C@H]4C3=O)CC2)c(F)c1 ZINC000840071244 1026943268 /nfs/dbraw/zinc/94/32/68/1026943268.db2.gz MVRUBCCOVAIOCY-NVXWUHKLSA-N 1 2 357.429 2.757 20 30 FFEDLO C#C[C@](C)(CC)Nc1nc2c(ccn2S(=O)(=O)c2ccccc2)c[nH+]1 ZINC001158743210 1027121260 /nfs/dbraw/zinc/12/12/60/1027121260.db2.gz QWJVBNYJIMINNV-GOSISDBHSA-N 1 2 354.435 2.882 20 30 FFEDLO C=CC[C@H](Nc1ncnc2c1C[N@H+](Cc1ccccc1)CC2)C(=O)OC ZINC001158855407 1027161365 /nfs/dbraw/zinc/16/13/65/1027161365.db2.gz HFJOMUUCYGREFY-SFHVURJKSA-N 1 2 352.438 2.565 20 30 FFEDLO C=CC[C@H](Nc1ncnc2c1C[N@@H+](Cc1ccccc1)CC2)C(=O)OC ZINC001158855407 1027161375 /nfs/dbraw/zinc/16/13/75/1027161375.db2.gz HFJOMUUCYGREFY-SFHVURJKSA-N 1 2 352.438 2.565 20 30 FFEDLO COc1cccnc1O[C@@H]1CC[N@H+](Cc2ccc(C#N)c(SC)n2)C1 ZINC001141945519 1027198104 /nfs/dbraw/zinc/19/81/04/1027198104.db2.gz BQHPUHZAUUPGJV-OAHLLOKOSA-N 1 2 356.451 2.732 20 30 FFEDLO COc1cccnc1O[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(SC)n2)C1 ZINC001141945519 1027198108 /nfs/dbraw/zinc/19/81/08/1027198108.db2.gz BQHPUHZAUUPGJV-OAHLLOKOSA-N 1 2 356.451 2.732 20 30 FFEDLO CC#CCCCC(=O)NCC[C@@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001103338828 1027258284 /nfs/dbraw/zinc/25/82/84/1027258284.db2.gz YNGPDSCINAPLGJ-ZIAGYGMSSA-N 1 2 368.428 2.775 20 30 FFEDLO CC#CCCCC(=O)NCC[C@@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001103338828 1027258293 /nfs/dbraw/zinc/25/82/93/1027258293.db2.gz YNGPDSCINAPLGJ-ZIAGYGMSSA-N 1 2 368.428 2.775 20 30 FFEDLO CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1nc(C#N)c(Cl)s1 ZINC001103364392 1027316856 /nfs/dbraw/zinc/31/68/56/1027316856.db2.gz MXUKUXLNVXULJN-OPRDCNLKSA-N 1 2 364.862 2.502 20 30 FFEDLO CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1nc(C#N)c(Cl)s1 ZINC001103364392 1027316877 /nfs/dbraw/zinc/31/68/77/1027316877.db2.gz MXUKUXLNVXULJN-OPRDCNLKSA-N 1 2 364.862 2.502 20 30 FFEDLO CC[NH+](CC)CCOc1cccc(NC(=O)c2[nH]c(=O)c(C#N)cc2C)c1 ZINC001159311035 1027350905 /nfs/dbraw/zinc/35/09/05/1027350905.db2.gz PFWPVZJROGYMHZ-UHFFFAOYSA-N 1 2 368.437 2.940 20 30 FFEDLO CC(C)S(=O)(=O)N1CCC(CNc2[nH+]ccc3ccc(C#N)cc32)CC1 ZINC001161255471 1028099207 /nfs/dbraw/zinc/09/92/07/1028099207.db2.gz NWVIBNNHJIYWAL-UHFFFAOYSA-N 1 2 372.494 2.969 20 30 FFEDLO N#Cc1nccnc1NCc1c[nH+]cn1Cc1ccccc1Br ZINC001161518058 1028210951 /nfs/dbraw/zinc/21/09/51/1028210951.db2.gz VTEKARBOBAZDIA-UHFFFAOYSA-N 1 2 369.226 2.968 20 30 FFEDLO N#Cc1c(F)cccc1N1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001103786762 1028212824 /nfs/dbraw/zinc/21/28/24/1028212824.db2.gz SYARTSIHNSAUEA-RBSFLKMASA-N 1 2 367.428 2.699 20 30 FFEDLO N#Cc1c(F)cccc1N1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001103786762 1028212833 /nfs/dbraw/zinc/21/28/33/1028212833.db2.gz SYARTSIHNSAUEA-RBSFLKMASA-N 1 2 367.428 2.699 20 30 FFEDLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NC3(C#N)CCC3)c2c1C ZINC001162310497 1028497786 /nfs/dbraw/zinc/49/77/86/1028497786.db2.gz MKSOSXZYFDRXFQ-UHFFFAOYSA-N 1 2 373.482 2.518 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1c(F)cccc1F ZINC001155326247 1028676091 /nfs/dbraw/zinc/67/60/91/1028676091.db2.gz WHHNXYGTBCCJRO-LBTNJELSSA-N 1 2 352.425 2.883 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1c(F)cccc1F ZINC001155326247 1028676109 /nfs/dbraw/zinc/67/61/09/1028676109.db2.gz WHHNXYGTBCCJRO-LBTNJELSSA-N 1 2 352.425 2.883 20 30 FFEDLO [NH2+]=C(Nc1ccc([N+](=O)[O-])c2c1CNC2=O)c1ccc(C(F)(F)F)cc1 ZINC001163685388 1029026033 /nfs/dbraw/zinc/02/60/33/1029026033.db2.gz LMTCNKPBJFWTTN-UHFFFAOYSA-N 1 2 364.283 2.894 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2cc3cc(Br)ccc3cn2)CC1 ZINC001156154414 1029067218 /nfs/dbraw/zinc/06/72/18/1029067218.db2.gz LYYMLYMFIOUFIC-UHFFFAOYSA-N 1 2 360.255 2.941 20 30 FFEDLO C=CCOC(=O)N1CCC2(CN(c3[nH+]ccc4[nH]cc(C#N)c43)C2)CC1 ZINC001163865949 1029096665 /nfs/dbraw/zinc/09/66/65/1029096665.db2.gz LYWYTZRIUACIJD-UHFFFAOYSA-N 1 2 351.410 2.659 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(C3CCC3)no1)C2 ZINC001111730015 1029257279 /nfs/dbraw/zinc/25/72/79/1029257279.db2.gz QWFJXPKACRZEDH-JXFKEZNVSA-N 1 2 356.470 2.611 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(C3CCC3)no1)C2 ZINC001111730015 1029257284 /nfs/dbraw/zinc/25/72/84/1029257284.db2.gz QWFJXPKACRZEDH-JXFKEZNVSA-N 1 2 356.470 2.611 20 30 FFEDLO CCc1nnc([C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)o1 ZINC001111742710 1029309551 /nfs/dbraw/zinc/30/95/51/1029309551.db2.gz KQMKCKYFQGSWDB-SIFCLUCFSA-N 1 2 358.486 2.713 20 30 FFEDLO CCc1nnc([C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)o1 ZINC001111742710 1029309568 /nfs/dbraw/zinc/30/95/68/1029309568.db2.gz KQMKCKYFQGSWDB-SIFCLUCFSA-N 1 2 358.486 2.713 20 30 FFEDLO COC(=O)[C@H]1CN(c2[nH+]c(C)ccc2CC#N)C[C@@H]1c1ccc(F)cc1 ZINC001157302543 1029542778 /nfs/dbraw/zinc/54/27/78/1029542778.db2.gz QLOSIMHBROLQAQ-MSOLQXFVSA-N 1 2 353.397 2.988 20 30 FFEDLO C[NH+](C)Cc1nc(CSCCNc2ncc(C#N)cc2F)cs1 ZINC001157337786 1029559315 /nfs/dbraw/zinc/55/93/15/1029559315.db2.gz YGBOMFCLWPMGIP-UHFFFAOYSA-N 1 2 351.476 2.956 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1nnc(C)[nH]1)C2 ZINC001111834088 1029584883 /nfs/dbraw/zinc/58/48/83/1029584883.db2.gz MNUUWACLZLUDQX-SYNHAJSKSA-N 1 2 357.502 2.729 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1nnc(C)[nH]1)C2 ZINC001111834088 1029584890 /nfs/dbraw/zinc/58/48/90/1029584890.db2.gz MNUUWACLZLUDQX-SYNHAJSKSA-N 1 2 357.502 2.729 20 30 FFEDLO CCN(CCn1cc[nH+]c1)C(F)(F)c1cc(OC)nc(Cl)c1C#N ZINC001157462431 1029589923 /nfs/dbraw/zinc/58/99/23/1029589923.db2.gz IACWOOOTEGZVRR-UHFFFAOYSA-N 1 2 355.776 2.883 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H](C)[C@@H](C)O1 ZINC000782629357 1029767045 /nfs/dbraw/zinc/76/70/45/1029767045.db2.gz RYLPKVLBGWAVIQ-IXYNUQLISA-N 1 2 350.422 2.721 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H](C)[C@@H](C)O1 ZINC000782629357 1029767050 /nfs/dbraw/zinc/76/70/50/1029767050.db2.gz RYLPKVLBGWAVIQ-IXYNUQLISA-N 1 2 350.422 2.721 20 30 FFEDLO CC(C)(C)OC(=O)N1CCn2cc(C[NH+]3CCC(C)(C#N)CC3)nc2C1 ZINC001137520160 1029806572 /nfs/dbraw/zinc/80/65/72/1029806572.db2.gz ZCGUKDRQSIVVNK-UHFFFAOYSA-N 1 2 359.474 2.759 20 30 FFEDLO N#Cc1cc(Cl)cnc1N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001165689889 1030083890 /nfs/dbraw/zinc/08/38/90/1030083890.db2.gz BDNVPRYFWHKKBP-CQSZACIVSA-N 1 2 357.845 2.866 20 30 FFEDLO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3c2[nH+]ccc3[nH]cc(C#N)c32)n1 ZINC001165716738 1030095465 /nfs/dbraw/zinc/09/54/65/1030095465.db2.gz DYLGHULJKBKBFS-ZWKOTPCHSA-N 1 2 372.432 2.518 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cc(C)no2)C1 ZINC001112148575 1030102672 /nfs/dbraw/zinc/10/26/72/1030102672.db2.gz TUBSHBNERRVVEA-HUUCEWRRSA-N 1 2 357.376 2.656 20 30 FFEDLO Cc1ccc(C#N)c(N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)n1 ZINC001165740413 1030106004 /nfs/dbraw/zinc/10/60/04/1030106004.db2.gz UQWSEEVLUWLUMX-MRXNPFEDSA-N 1 2 360.421 2.569 20 30 FFEDLO N#CCc1cc[nH+]c(N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)c1 ZINC001165762691 1030115003 /nfs/dbraw/zinc/11/50/03/1030115003.db2.gz DOVFUHGNAGWCLG-MRXNPFEDSA-N 1 2 368.412 2.889 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC001112157114 1030116116 /nfs/dbraw/zinc/11/61/16/1030116116.db2.gz RRTURVAJNFVHDR-HUUCEWRRSA-N 1 2 358.408 2.564 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(C(C)C)nn3)[C@H]2C1 ZINC001223271523 1033362742 /nfs/dbraw/zinc/36/27/42/1033362742.db2.gz JTGKWSIDYXXFCX-QUCCMNQESA-N 1 2 371.529 2.866 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3cn(C(C)C)nn3)[C@H]2C1 ZINC001223271523 1033362750 /nfs/dbraw/zinc/36/27/50/1033362750.db2.gz JTGKWSIDYXXFCX-QUCCMNQESA-N 1 2 371.529 2.866 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001223271294 1033363199 /nfs/dbraw/zinc/36/31/99/1033363199.db2.gz DTWMHKBAWLGXMD-QUCCMNQESA-N 1 2 371.529 2.613 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001223271294 1033363204 /nfs/dbraw/zinc/36/32/04/1033363204.db2.gz DTWMHKBAWLGXMD-QUCCMNQESA-N 1 2 371.529 2.613 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(C(C)C)nn3)[C@H]2C1 ZINC001223338200 1033401456 /nfs/dbraw/zinc/40/14/56/1033401456.db2.gz JSWXEIUWXYDFTR-SCTDSRPQSA-N 1 2 359.518 2.884 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cn(C(C)C)nn3)[C@H]2C1 ZINC001223338200 1033401464 /nfs/dbraw/zinc/40/14/64/1033401464.db2.gz JSWXEIUWXYDFTR-SCTDSRPQSA-N 1 2 359.518 2.884 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccnc(SC(C)C)n1 ZINC001276889635 1033439864 /nfs/dbraw/zinc/43/98/64/1033439864.db2.gz WUNHPOORJXICFW-IBGZPJMESA-N 1 2 358.511 2.567 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccnc(SC(C)C)n1 ZINC001276889635 1033439867 /nfs/dbraw/zinc/43/98/67/1033439867.db2.gz WUNHPOORJXICFW-IBGZPJMESA-N 1 2 358.511 2.567 20 30 FFEDLO CC1(C)C(=O)N(Cc2ccccc2)CC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000830338470 1033578371 /nfs/dbraw/zinc/57/83/71/1033578371.db2.gz JBRVTKQDEOGPRE-FQEVSTJZSA-N 1 2 363.461 2.715 20 30 FFEDLO CC1(C)C(=O)N(Cc2ccccc2)CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000830338470 1033578382 /nfs/dbraw/zinc/57/83/82/1033578382.db2.gz JBRVTKQDEOGPRE-FQEVSTJZSA-N 1 2 363.461 2.715 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC(C)C)c(Cl)c2)C[C@@H]1O ZINC001219335255 1033603413 /nfs/dbraw/zinc/60/34/13/1033603413.db2.gz WBKSOGOFUWSJIS-SJORKVTESA-N 1 2 366.889 2.755 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC(C)C)c(Cl)c2)C[C@@H]1O ZINC001219335255 1033603422 /nfs/dbraw/zinc/60/34/22/1033603422.db2.gz WBKSOGOFUWSJIS-SJORKVTESA-N 1 2 366.889 2.755 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(Br)cc2)C[C@@H]1O ZINC001219344589 1033609290 /nfs/dbraw/zinc/60/92/90/1033609290.db2.gz QHRDQFORUGWLIX-WQVCFCJDSA-N 1 2 367.287 2.638 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(Br)cc2)C[C@@H]1O ZINC001219344589 1033609293 /nfs/dbraw/zinc/60/92/93/1033609293.db2.gz QHRDQFORUGWLIX-WQVCFCJDSA-N 1 2 367.287 2.638 20 30 FFEDLO CC(C)[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001219353915 1033613435 /nfs/dbraw/zinc/61/34/35/1033613435.db2.gz PVKPJYULMHAERZ-LZQZEXGQSA-N 1 2 362.901 2.535 20 30 FFEDLO CC(C)[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001219353915 1033613443 /nfs/dbraw/zinc/61/34/43/1033613443.db2.gz PVKPJYULMHAERZ-LZQZEXGQSA-N 1 2 362.901 2.535 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)Nc3sccc3C#N)C2)cc1 ZINC001219354353 1033613778 /nfs/dbraw/zinc/61/37/78/1033613778.db2.gz FICFFNWMWDKXTH-KRWDZBQOSA-N 1 2 370.478 2.951 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)Nc3sccc3C#N)C2)cc1 ZINC001219354353 1033613787 /nfs/dbraw/zinc/61/37/87/1033613787.db2.gz FICFFNWMWDKXTH-KRWDZBQOSA-N 1 2 370.478 2.951 20 30 FFEDLO CC(C)(C)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001219361811 1033617790 /nfs/dbraw/zinc/61/77/90/1033617790.db2.gz GITCINUMHBFPNR-MSOLQXFVSA-N 1 2 361.461 2.575 20 30 FFEDLO CC(C)(C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001219361811 1033617797 /nfs/dbraw/zinc/61/77/97/1033617797.db2.gz GITCINUMHBFPNR-MSOLQXFVSA-N 1 2 361.461 2.575 20 30 FFEDLO CCC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001219693352 1033756146 /nfs/dbraw/zinc/75/61/46/1033756146.db2.gz DSSQCGVYOIJTHA-MSOLQXFVSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001219693352 1033756157 /nfs/dbraw/zinc/75/61/57/1033756157.db2.gz DSSQCGVYOIJTHA-MSOLQXFVSA-N 1 2 362.901 2.679 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3cc(F)c(Cl)cc3O)C2)OCC1=O ZINC001276968240 1033866287 /nfs/dbraw/zinc/86/62/87/1033866287.db2.gz ZXPAAQZPFXUVGE-SFHVURJKSA-N 1 2 368.836 2.564 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3c2cc(F)cc3F)C[C@@H]1O ZINC001220133617 1034000039 /nfs/dbraw/zinc/00/00/39/1034000039.db2.gz HODINKIRAVEHPL-SQNIBIBYSA-N 1 2 364.436 2.716 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCc3c2cc(F)cc3F)C[C@@H]1O ZINC001220133617 1034000054 /nfs/dbraw/zinc/00/00/54/1034000054.db2.gz HODINKIRAVEHPL-SQNIBIBYSA-N 1 2 364.436 2.716 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OC)C[C@@H]1O ZINC001220198233 1034039423 /nfs/dbraw/zinc/03/94/23/1034039423.db2.gz IQBBIQRUWLCLHT-XYPHTWIQSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OC)C[C@@H]1O ZINC001220198233 1034039438 /nfs/dbraw/zinc/03/94/38/1034039438.db2.gz IQBBIQRUWLCLHT-XYPHTWIQSA-N 1 2 366.889 2.612 20 30 FFEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Cl)c(F)c1F)CC2 ZINC001277017778 1034114986 /nfs/dbraw/zinc/11/49/86/1034114986.db2.gz RHRIYAZHJXFCFS-CYBMUJFWSA-N 1 2 352.812 2.970 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2Cl)C[C@@H]1O ZINC001220435476 1034175467 /nfs/dbraw/zinc/17/54/67/1034175467.db2.gz CGFDIBHEGRKYPU-CABCVRRESA-N 1 2 366.889 2.612 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2Cl)C[C@@H]1O ZINC001220435476 1034175473 /nfs/dbraw/zinc/17/54/73/1034175473.db2.gz CGFDIBHEGRKYPU-CABCVRRESA-N 1 2 366.889 2.612 20 30 FFEDLO CCCCC[C@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001220497769 1034223623 /nfs/dbraw/zinc/22/36/23/1034223623.db2.gz JSXUHJGMVYVJTG-QGTPRVQTSA-N 1 2 363.527 2.888 20 30 FFEDLO CCCCC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001220497769 1034223636 /nfs/dbraw/zinc/22/36/36/1034223636.db2.gz JSXUHJGMVYVJTG-QGTPRVQTSA-N 1 2 363.527 2.888 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C2CCCCC2)n1 ZINC001225394673 1034232828 /nfs/dbraw/zinc/23/28/28/1034232828.db2.gz CGZUZSQCARVNHX-FVQBIDKESA-N 1 2 359.474 2.794 20 30 FFEDLO C[N@@H+]1CCO[C@H](COc2nc3ccc(Br)cc3cc2C#N)C1 ZINC001225412398 1034240759 /nfs/dbraw/zinc/24/07/59/1034240759.db2.gz WBAYVAMNNNPZPQ-AWEZNQCLSA-N 1 2 362.227 2.578 20 30 FFEDLO C[N@H+]1CCO[C@H](COc2nc3ccc(Br)cc3cc2C#N)C1 ZINC001225412398 1034240767 /nfs/dbraw/zinc/24/07/67/1034240767.db2.gz WBAYVAMNNNPZPQ-AWEZNQCLSA-N 1 2 362.227 2.578 20 30 FFEDLO COC(=O)c1ccc(C(=[NH2+])NC(O)=C(N)c2ccc3ccccc3c2)cc1 ZINC001220579409 1034266032 /nfs/dbraw/zinc/26/60/32/1034266032.db2.gz QZKQXEVWTBODCX-SFHVURJKSA-N 1 2 361.401 2.558 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@@]2(F)C1=O ZINC001277056031 1034316988 /nfs/dbraw/zinc/31/69/88/1034316988.db2.gz CCCVZNXZYQWRRT-VQTJNVASSA-N 1 2 364.436 2.950 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@@]2(F)C1=O ZINC001277056031 1034316999 /nfs/dbraw/zinc/31/69/99/1034316999.db2.gz CCCVZNXZYQWRRT-VQTJNVASSA-N 1 2 364.436 2.950 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)OC(C)(C)C)cc1 ZINC001138559901 1034412647 /nfs/dbraw/zinc/41/26/47/1034412647.db2.gz VPFZTVFSPSAPCB-HDICACEKSA-N 1 2 372.465 2.519 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)OC(C)(C)C)cc1 ZINC001138559901 1034412652 /nfs/dbraw/zinc/41/26/52/1034412652.db2.gz VPFZTVFSPSAPCB-HDICACEKSA-N 1 2 372.465 2.519 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)CCC3CCCCC3)[C@@H](O)C2)s1 ZINC001220893563 1034444194 /nfs/dbraw/zinc/44/41/94/1034444194.db2.gz JSGRLJSHGDWSPB-MSOLQXFVSA-N 1 2 361.511 2.642 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)CCC3CCCCC3)[C@@H](O)C2)s1 ZINC001220893563 1034444199 /nfs/dbraw/zinc/44/41/99/1034444199.db2.gz JSGRLJSHGDWSPB-MSOLQXFVSA-N 1 2 361.511 2.642 20 30 FFEDLO C=CCc1cccc(CN2CC[N@H+](Cc3ccccc3)[C@H](CO)C2)c1O ZINC001138624359 1034475493 /nfs/dbraw/zinc/47/54/93/1034475493.db2.gz FNPJQMOBLKWGII-NRFANRHFSA-N 1 2 352.478 2.799 20 30 FFEDLO C=CCc1cccc(CN2CC[N@@H+](Cc3ccccc3)[C@H](CO)C2)c1O ZINC001138624359 1034475497 /nfs/dbraw/zinc/47/54/97/1034475497.db2.gz FNPJQMOBLKWGII-NRFANRHFSA-N 1 2 352.478 2.799 20 30 FFEDLO CCCCC[C@@H](CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001221035833 1034513672 /nfs/dbraw/zinc/51/36/72/1034513672.db2.gz TYMOWGRVKNOBOU-NJYVYQBISA-N 1 2 356.510 2.806 20 30 FFEDLO CCCCC[C@@H](CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001221035833 1034513688 /nfs/dbraw/zinc/51/36/88/1034513688.db2.gz TYMOWGRVKNOBOU-NJYVYQBISA-N 1 2 356.510 2.806 20 30 FFEDLO Cc1c(C)c(C[NH+]2CC3(C2)COCC(=O)N3CCCC#N)ccc1Cl ZINC001277097925 1034518731 /nfs/dbraw/zinc/51/87/31/1034518731.db2.gz NACXXSNNCUXJCC-UHFFFAOYSA-N 1 2 361.873 2.674 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)s3)C[C@@H]2O)CCCCC1 ZINC001221050441 1034526773 /nfs/dbraw/zinc/52/67/73/1034526773.db2.gz CLIGLCOZLBEQMP-SJORKVTESA-N 1 2 363.527 2.639 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)s3)C[C@@H]2O)CCCCC1 ZINC001221050441 1034526778 /nfs/dbraw/zinc/52/67/78/1034526778.db2.gz CLIGLCOZLBEQMP-SJORKVTESA-N 1 2 363.527 2.639 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ns3)C[C@@H]2O)CCCCC1 ZINC001221052088 1034526978 /nfs/dbraw/zinc/52/69/78/1034526978.db2.gz AOYWKQROQHFHCF-SJORKVTESA-N 1 2 363.527 2.639 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ns3)C[C@@H]2O)CCCCC1 ZINC001221052088 1034526989 /nfs/dbraw/zinc/52/69/89/1034526989.db2.gz AOYWKQROQHFHCF-SJORKVTESA-N 1 2 363.527 2.639 20 30 FFEDLO N#CCCCN1CCC2(CC[NH+](Cc3c(F)ccnc3Cl)CC2)C1=O ZINC001277105065 1034559149 /nfs/dbraw/zinc/55/91/49/1034559149.db2.gz XJORSLQUUNMIJN-UHFFFAOYSA-N 1 2 364.852 2.992 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3c(C)nsc3C)C[C@@H]2O)CCCC1 ZINC001221191389 1034597249 /nfs/dbraw/zinc/59/72/49/1034597249.db2.gz QUUMPIPPLHXWSP-SJORKVTESA-N 1 2 363.527 2.558 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3c(C)nsc3C)C[C@@H]2O)CCCC1 ZINC001221191389 1034597253 /nfs/dbraw/zinc/59/72/53/1034597253.db2.gz QUUMPIPPLHXWSP-SJORKVTESA-N 1 2 363.527 2.558 20 30 FFEDLO CCO[C@@H](CC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221372904 1034696741 /nfs/dbraw/zinc/69/67/41/1034696741.db2.gz PKPCADUQQOQQJZ-LZQZEXGQSA-N 1 2 359.445 2.545 20 30 FFEDLO CCO[C@@H](CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221372904 1034696745 /nfs/dbraw/zinc/69/67/45/1034696745.db2.gz PKPCADUQQOQQJZ-LZQZEXGQSA-N 1 2 359.445 2.545 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3c(C)cccc3CC)C[C@H]21 ZINC001221424318 1034739157 /nfs/dbraw/zinc/73/91/57/1034739157.db2.gz AAMPOOPYPBVBAY-RTBURBONSA-N 1 2 369.509 2.995 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3c(C)cccc3CC)C[C@H]21 ZINC001221424318 1034739170 /nfs/dbraw/zinc/73/91/70/1034739170.db2.gz AAMPOOPYPBVBAY-RTBURBONSA-N 1 2 369.509 2.995 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)c3cn(-c4ccccc4)nn3)C[C@H]21 ZINC001221424669 1034742869 /nfs/dbraw/zinc/74/28/69/1034742869.db2.gz KHLZELYYEREJNR-MBOZVWFJSA-N 1 2 365.481 2.827 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)c3cn(-c4ccccc4)nn3)C[C@H]21 ZINC001221424669 1034742882 /nfs/dbraw/zinc/74/28/82/1034742882.db2.gz KHLZELYYEREJNR-MBOZVWFJSA-N 1 2 365.481 2.827 20 30 FFEDLO CC[C@H](C)OCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221483846 1034806898 /nfs/dbraw/zinc/80/68/98/1034806898.db2.gz DNBGFJQDJVBAID-ZSZQSSIHSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@H](C)OCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221483846 1034806909 /nfs/dbraw/zinc/80/69/09/1034806909.db2.gz DNBGFJQDJVBAID-ZSZQSSIHSA-N 1 2 359.445 2.545 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3)C[C@H]21 ZINC001221580383 1034893563 /nfs/dbraw/zinc/89/35/63/1034893563.db2.gz AUPONSKYHYEMBR-ZHALLVOQSA-N 1 2 355.482 2.903 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3)C[C@H]21 ZINC001221580383 1034893570 /nfs/dbraw/zinc/89/35/70/1034893570.db2.gz AUPONSKYHYEMBR-ZHALLVOQSA-N 1 2 355.482 2.903 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)CCCCC)C[C@H]21 ZINC001221585220 1034898029 /nfs/dbraw/zinc/89/80/29/1034898029.db2.gz YXVMHOXFLMPPDA-IPMKNSEASA-N 1 2 363.546 2.960 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@@H](C)CCCCC)C[C@H]21 ZINC001221585220 1034898041 /nfs/dbraw/zinc/89/80/41/1034898041.db2.gz YXVMHOXFLMPPDA-IPMKNSEASA-N 1 2 363.546 2.960 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1cccc2c1ccn2C ZINC001139155533 1034982469 /nfs/dbraw/zinc/98/24/69/1034982469.db2.gz BONUDTISEBHDMD-IBGZPJMESA-N 1 2 351.454 2.609 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1cccc2c1ccn2C ZINC001139155533 1034982476 /nfs/dbraw/zinc/98/24/76/1034982476.db2.gz BONUDTISEBHDMD-IBGZPJMESA-N 1 2 351.454 2.609 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221718374 1035008330 /nfs/dbraw/zinc/00/83/30/1035008330.db2.gz MWRPHMCDKYEYDQ-SJBKTWHCSA-N 1 2 367.493 2.820 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221718374 1035008342 /nfs/dbraw/zinc/00/83/42/1035008342.db2.gz MWRPHMCDKYEYDQ-SJBKTWHCSA-N 1 2 367.493 2.820 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(CC)c3ccccc3)C[C@H]21 ZINC001221735761 1035028633 /nfs/dbraw/zinc/02/86/33/1035028633.db2.gz VAJFMRWFXZNSLO-IEBWSBKVSA-N 1 2 369.509 2.784 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(CC)c3ccccc3)C[C@H]21 ZINC001221735761 1035028639 /nfs/dbraw/zinc/02/86/39/1035028639.db2.gz VAJFMRWFXZNSLO-IEBWSBKVSA-N 1 2 369.509 2.784 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1c(N)c(OC)ccc1OC)CCC2 ZINC001139274680 1035040022 /nfs/dbraw/zinc/04/00/22/1035040022.db2.gz QBXDMNYSHVTSAM-UHFFFAOYSA-N 1 2 372.469 2.591 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1c(N)c(OC)ccc1OC)CCC2 ZINC001139274680 1035040029 /nfs/dbraw/zinc/04/00/29/1035040029.db2.gz QBXDMNYSHVTSAM-UHFFFAOYSA-N 1 2 372.469 2.591 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[N@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001221761881 1035046460 /nfs/dbraw/zinc/04/64/60/1035046460.db2.gz GXOTVHMREWTROD-SQGPQFPESA-N 1 2 356.514 2.854 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[N@@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001221761881 1035046466 /nfs/dbraw/zinc/04/64/66/1035046466.db2.gz GXOTVHMREWTROD-SQGPQFPESA-N 1 2 356.514 2.854 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4ccco4)s3)[C@@H]2C1 ZINC001221908921 1035150257 /nfs/dbraw/zinc/15/02/57/1035150257.db2.gz URJRFECPKWPXRS-HZPDHXFCSA-N 1 2 370.474 2.804 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4ccco4)s3)[C@@H]2C1 ZINC001221908921 1035150261 /nfs/dbraw/zinc/15/02/61/1035150261.db2.gz URJRFECPKWPXRS-HZPDHXFCSA-N 1 2 370.474 2.804 20 30 FFEDLO C#CC1CC[NH+](Cc2c(I)ccnc2OC)CC1 ZINC001139580689 1035170978 /nfs/dbraw/zinc/17/09/78/1035170978.db2.gz GCTUVSPFHKHREJ-UHFFFAOYSA-N 1 2 356.207 2.540 20 30 FFEDLO N#Cc1c(Cl)cccc1CN1CC([NH+]2CCN(c3ccccn3)CC2)C1 ZINC001139692609 1035199736 /nfs/dbraw/zinc/19/97/36/1035199736.db2.gz BATVSZGOTDQBTJ-UHFFFAOYSA-N 1 2 367.884 2.613 20 30 FFEDLO Cc1ccc(C[NH+]2CC(N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1C#N ZINC001139725837 1035209767 /nfs/dbraw/zinc/20/97/67/1035209767.db2.gz FVEYJANJDVVHFK-UHFFFAOYSA-N 1 2 370.497 2.604 20 30 FFEDLO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4cnc(Cl)nc4)C3)CC2=O)c1 ZINC001139990041 1035299473 /nfs/dbraw/zinc/29/94/73/1035299473.db2.gz FHRAQCVYGHDUCJ-LJQANCHMSA-N 1 2 367.840 2.631 20 30 FFEDLO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4cnc(Cl)nc4)C3)CC2=O)c1 ZINC001139990041 1035299475 /nfs/dbraw/zinc/29/94/75/1035299475.db2.gz FHRAQCVYGHDUCJ-LJQANCHMSA-N 1 2 367.840 2.631 20 30 FFEDLO CC(C)NC(=O)c1noc2c1C[N@H+](Cc1c[nH]c3ccc(C#N)cc13)CC2 ZINC001140113911 1035346554 /nfs/dbraw/zinc/34/65/54/1035346554.db2.gz GDUIAUKDWALOKR-UHFFFAOYSA-N 1 2 363.421 2.724 20 30 FFEDLO CC(C)NC(=O)c1noc2c1C[N@@H+](Cc1c[nH]c3ccc(C#N)cc13)CC2 ZINC001140113911 1035346561 /nfs/dbraw/zinc/34/65/61/1035346561.db2.gz GDUIAUKDWALOKR-UHFFFAOYSA-N 1 2 363.421 2.724 20 30 FFEDLO N#Cc1ccccc1OC1C[NH+](Cc2ccccc2-c2cnc(N)nc2)C1 ZINC001140328020 1035437023 /nfs/dbraw/zinc/43/70/23/1035437023.db2.gz QANUIRDLRDMSCX-UHFFFAOYSA-N 1 2 357.417 2.861 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)cn1 ZINC001140542757 1035599732 /nfs/dbraw/zinc/59/97/32/1035599732.db2.gz DDGOMWUJYYCZMF-VDZJLULYSA-N 1 2 370.478 2.606 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)cn1 ZINC001140542757 1035599745 /nfs/dbraw/zinc/59/97/45/1035599745.db2.gz DDGOMWUJYYCZMF-VDZJLULYSA-N 1 2 370.478 2.606 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2nc(=O)[nH]c3sccc32)C1 ZINC001227842078 1035766863 /nfs/dbraw/zinc/76/68/63/1035766863.db2.gz AYXFVMPTRKRECD-CQSZACIVSA-N 1 2 352.419 2.922 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2nc(=O)[nH]c3sccc32)C1 ZINC001227842078 1035766880 /nfs/dbraw/zinc/76/68/80/1035766880.db2.gz AYXFVMPTRKRECD-CQSZACIVSA-N 1 2 352.419 2.922 20 30 FFEDLO Cn1cc([C@@H]2COC3(C2)CC[NH+](Cc2cc(C#N)ccc2O)CC3)cn1 ZINC001232676111 1035932656 /nfs/dbraw/zinc/93/26/56/1035932656.db2.gz ZHNVQPULZSLVGZ-KRWDZBQOSA-N 1 2 352.438 2.536 20 30 FFEDLO C#C[C@@H](Oc1cccc(C(=O)C[N@H+](C)Cc2ccccc2)c1)C(=O)OCC ZINC001228102224 1035933164 /nfs/dbraw/zinc/93/31/64/1035933164.db2.gz HKDGULQKBMXOEZ-OAQYLSRUSA-N 1 2 365.429 2.945 20 30 FFEDLO C#C[C@@H](Oc1cccc(C(=O)C[N@@H+](C)Cc2ccccc2)c1)C(=O)OCC ZINC001228102224 1035933176 /nfs/dbraw/zinc/93/31/76/1035933176.db2.gz HKDGULQKBMXOEZ-OAQYLSRUSA-N 1 2 365.429 2.945 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)c1 ZINC001232680035 1035938517 /nfs/dbraw/zinc/93/85/17/1035938517.db2.gz AETMSOXEKNTOBX-MRXNPFEDSA-N 1 2 353.397 2.797 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)c1 ZINC001232680035 1035938522 /nfs/dbraw/zinc/93/85/22/1035938522.db2.gz AETMSOXEKNTOBX-MRXNPFEDSA-N 1 2 353.397 2.797 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c1 ZINC001232680255 1035939022 /nfs/dbraw/zinc/93/90/22/1035939022.db2.gz AWGLPMOVTNQBRK-CYBMUJFWSA-N 1 2 364.327 2.726 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c1 ZINC001232680255 1035939037 /nfs/dbraw/zinc/93/90/37/1035939037.db2.gz AWGLPMOVTNQBRK-CYBMUJFWSA-N 1 2 364.327 2.726 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)cc1F ZINC001232709193 1035960742 /nfs/dbraw/zinc/96/07/42/1035960742.db2.gz NZXWIGIYMZPONC-UHFFFAOYSA-N 1 2 353.397 2.806 20 30 FFEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc2ccccn2n1 ZINC001277276625 1035976333 /nfs/dbraw/zinc/97/63/33/1035976333.db2.gz GZDKTZIPQDGCDJ-HXUWFJFHSA-N 1 2 351.454 2.595 20 30 FFEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc2ccccn2n1 ZINC001277276625 1035976346 /nfs/dbraw/zinc/97/63/46/1035976346.db2.gz GZDKTZIPQDGCDJ-HXUWFJFHSA-N 1 2 351.454 2.595 20 30 FFEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3ccc(C(C)C)nc3Cl)C2)OCC1=O ZINC001277711154 1035998556 /nfs/dbraw/zinc/99/85/56/1035998556.db2.gz FYBIRVNKYFVTGA-LJQANCHMSA-N 1 2 363.889 2.848 20 30 FFEDLO C=CCN1C[C@]2(CC[N@H+](Cc3ccc(C(C)C)nc3Cl)C2)OCC1=O ZINC001277711154 1035998570 /nfs/dbraw/zinc/99/85/70/1035998570.db2.gz FYBIRVNKYFVTGA-LJQANCHMSA-N 1 2 363.889 2.848 20 30 FFEDLO CCOC(=O)c1nc[nH]c1C[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001232920241 1036156246 /nfs/dbraw/zinc/15/62/46/1036156246.db2.gz QKIHCGWJFRUSKN-UHFFFAOYSA-N 1 2 352.438 2.913 20 30 FFEDLO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cc(O)c(F)c(F)c1)CC2 ZINC001232969755 1036198654 /nfs/dbraw/zinc/19/86/54/1036198654.db2.gz VUYWXXXJAVXCQT-UHFFFAOYSA-N 1 2 352.381 2.891 20 30 FFEDLO N#Cc1ccc(C[N@H+]2Cc3nccn3C[C@H](COCC3CC3)C2)c(O)c1 ZINC001233385185 1036585464 /nfs/dbraw/zinc/58/54/64/1036585464.db2.gz XRDGDPUIKCPDBJ-QGZVFWFLSA-N 1 2 352.438 2.519 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)c(O)c1 ZINC001233385132 1036585795 /nfs/dbraw/zinc/58/57/95/1036585795.db2.gz VUDUIXCQVGWDCW-ILZDJORESA-N 1 2 365.433 2.717 20 30 FFEDLO CO[C@H](C[NH+]1CCN(Cc2ccc(C#N)cc2O)CC1)c1ccccc1 ZINC001233387457 1036588755 /nfs/dbraw/zinc/58/87/55/1036588755.db2.gz KIUFSIBHVQHXTK-OAQYLSRUSA-N 1 2 351.450 2.769 20 30 FFEDLO CO[C@H](CN1CC[NH+](Cc2ccc(C#N)cc2O)CC1)c1ccccc1 ZINC001233387457 1036588763 /nfs/dbraw/zinc/58/87/63/1036588763.db2.gz KIUFSIBHVQHXTK-OAQYLSRUSA-N 1 2 351.450 2.769 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c([O-])c1 ZINC001233385784 1036588878 /nfs/dbraw/zinc/58/88/78/1036588878.db2.gz TYOPVEFXLITZDU-UHFFFAOYSA-N 1 2 365.481 2.505 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c([O-])c1 ZINC001233385784 1036588881 /nfs/dbraw/zinc/58/88/81/1036588881.db2.gz TYOPVEFXLITZDU-UHFFFAOYSA-N 1 2 365.481 2.505 20 30 FFEDLO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1c(F)ccc(O)c1F)CC2 ZINC001233393113 1036593651 /nfs/dbraw/zinc/59/36/51/1036593651.db2.gz BUXXWCWTKIFCIE-UHFFFAOYSA-N 1 2 352.381 2.891 20 30 FFEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3cn4cccc(Cl)c4n3)CC2)nc1 ZINC001233423474 1036615693 /nfs/dbraw/zinc/61/56/93/1036615693.db2.gz YCEKCAKIZLSVET-UHFFFAOYSA-N 1 2 366.856 2.967 20 30 FFEDLO N#Cc1ccc(N2CCC[N@H+](Cc3cn4cccc(Cl)c4n3)CC2)nc1 ZINC001233423474 1036615700 /nfs/dbraw/zinc/61/57/00/1036615700.db2.gz YCEKCAKIZLSVET-UHFFFAOYSA-N 1 2 366.856 2.967 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)OCC1=O ZINC001277387109 1036671207 /nfs/dbraw/zinc/67/12/07/1036671207.db2.gz FYWGSCCJLCLUBJ-SFHVURJKSA-N 1 2 368.836 2.564 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)OCC1=O ZINC001277387109 1036671215 /nfs/dbraw/zinc/67/12/15/1036671215.db2.gz FYWGSCCJLCLUBJ-SFHVURJKSA-N 1 2 368.836 2.564 20 30 FFEDLO CC(=O)[C@H](C)N1CC[C@]2(CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)C1=O ZINC001277817764 1036818795 /nfs/dbraw/zinc/81/87/95/1036818795.db2.gz VAGVRAYCBZSRCL-DJJJIMSYSA-N 1 2 359.857 2.614 20 30 FFEDLO CC(=O)[C@H](C)N1CC[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)C1=O ZINC001277817764 1036818814 /nfs/dbraw/zinc/81/88/14/1036818814.db2.gz VAGVRAYCBZSRCL-DJJJIMSYSA-N 1 2 359.857 2.614 20 30 FFEDLO Cc1nc(O[C@H]2CCN(CC#N)C2)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229767596 1036880054 /nfs/dbraw/zinc/88/00/54/1036880054.db2.gz DTRLZWZOIXUZHF-KRWDZBQOSA-N 1 2 358.405 2.553 20 30 FFEDLO CC(=O)N1CC[C@@H](Oc2nc(C)c(-c3ccc4[nH+]ccn4c3)cc2C#N)C1 ZINC001229766171 1036880777 /nfs/dbraw/zinc/88/07/77/1036880777.db2.gz KGTHABDKIJVHDV-QGZVFWFLSA-N 1 2 361.405 2.576 20 30 FFEDLO CCOC(=O)[C@H](C)Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229765602 1036881739 /nfs/dbraw/zinc/88/17/39/1036881739.db2.gz FKTVELMATSEIHP-ZDUSSCGKSA-N 1 2 350.378 2.907 20 30 FFEDLO C[C@H](c1nc(-c2ccco2)no1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001206949389 1036970248 /nfs/dbraw/zinc/97/02/48/1036970248.db2.gz BSARMOIOSVZOIQ-RBSFLKMASA-N 1 2 370.453 2.877 20 30 FFEDLO C[C@H](c1nc(-c2ccco2)no1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001206949389 1036970264 /nfs/dbraw/zinc/97/02/64/1036970264.db2.gz BSARMOIOSVZOIQ-RBSFLKMASA-N 1 2 370.453 2.877 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(Cl)ccc2Cl)C[C@H]1C ZINC001206954930 1036978733 /nfs/dbraw/zinc/97/87/33/1036978733.db2.gz DKNNHUMOOGTXJZ-PBFPGSCMSA-N 1 2 369.292 2.968 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2Cl)C[C@H]1C ZINC001206954930 1036978751 /nfs/dbraw/zinc/97/87/51/1036978751.db2.gz DKNNHUMOOGTXJZ-PBFPGSCMSA-N 1 2 369.292 2.968 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2Cl)C[C@H]1C ZINC001206957795 1036988221 /nfs/dbraw/zinc/98/82/21/1036988221.db2.gz MXKGNFTYWWWTRU-CXAGYDPISA-N 1 2 369.292 2.970 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2cc(Cl)ccc2Cl)C[C@H]1C ZINC001206957795 1036988237 /nfs/dbraw/zinc/98/82/37/1036988237.db2.gz MXKGNFTYWWWTRU-CXAGYDPISA-N 1 2 369.292 2.970 20 30 FFEDLO C=CC[NH+]1CCN(Cc2cnc(N(C)C(=O)OC(C)(C)C)s2)CC1 ZINC001234376489 1037009914 /nfs/dbraw/zinc/00/99/14/1037009914.db2.gz YXAWIKUYOMUVSM-UHFFFAOYSA-N 1 2 352.504 2.818 20 30 FFEDLO COC(=O)C(=O)c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC001234443538 1037039121 /nfs/dbraw/zinc/03/91/21/1037039121.db2.gz IMMFBMJDDTVYOZ-LJQANCHMSA-N 1 2 364.401 2.567 20 30 FFEDLO COC(=O)C(=O)c1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1 ZINC001234443538 1037039131 /nfs/dbraw/zinc/03/91/31/1037039131.db2.gz IMMFBMJDDTVYOZ-LJQANCHMSA-N 1 2 364.401 2.567 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)C(C)C)C2)c1 ZINC001207132254 1037177428 /nfs/dbraw/zinc/17/74/28/1037177428.db2.gz PVNVUPXRVPNUCE-VQIMIIECSA-N 1 2 369.509 2.725 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)C(C)C)C2)c1 ZINC001207132254 1037177435 /nfs/dbraw/zinc/17/74/35/1037177435.db2.gz PVNVUPXRVPNUCE-VQIMIIECSA-N 1 2 369.509 2.725 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001207158148 1037204458 /nfs/dbraw/zinc/20/44/58/1037204458.db2.gz IGGUQWBAOGXAMR-RHSMWYFYSA-N 1 2 361.461 2.803 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001207158148 1037204470 /nfs/dbraw/zinc/20/44/70/1037204470.db2.gz IGGUQWBAOGXAMR-RHSMWYFYSA-N 1 2 361.461 2.803 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccoc3)no2)C[C@H]1C ZINC001207158251 1037208442 /nfs/dbraw/zinc/20/84/42/1037208442.db2.gz MXZRYSXBLXTZEB-UKRRQHHQSA-N 1 2 358.442 2.868 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccoc3)no2)C[C@H]1C ZINC001207158251 1037208446 /nfs/dbraw/zinc/20/84/46/1037208446.db2.gz MXZRYSXBLXTZEB-UKRRQHHQSA-N 1 2 358.442 2.868 20 30 FFEDLO C=CCN(CC[N@@H+]1CCc2onc(COC)c2C1)C(=O)OC(C)(C)C ZINC001207200989 1037238879 /nfs/dbraw/zinc/23/88/79/1037238879.db2.gz IPMOCLAADGIWLB-UHFFFAOYSA-N 1 2 351.447 2.602 20 30 FFEDLO C=CCN(CC[N@H+]1CCc2onc(COC)c2C1)C(=O)OC(C)(C)C ZINC001207200989 1037238893 /nfs/dbraw/zinc/23/88/93/1037238893.db2.gz IPMOCLAADGIWLB-UHFFFAOYSA-N 1 2 351.447 2.602 20 30 FFEDLO Cc1cc(Br)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC001230987434 1037427667 /nfs/dbraw/zinc/42/76/67/1037427667.db2.gz PSWUGYJKEWZSPI-QCRWRKDUSA-N 1 2 369.215 2.657 20 30 FFEDLO Cc1cc(Br)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC001230987434 1037427669 /nfs/dbraw/zinc/42/76/69/1037427669.db2.gz PSWUGYJKEWZSPI-QCRWRKDUSA-N 1 2 369.215 2.657 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@](C)(OC)c2ccccc2F)C1 ZINC001207437887 1037443605 /nfs/dbraw/zinc/44/36/05/1037443605.db2.gz HPTQXKSTUQXIAE-XHBKTUGNSA-N 1 2 354.853 2.876 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@](C)(OC)c2ccccc2F)C1 ZINC001207437887 1037443608 /nfs/dbraw/zinc/44/36/08/1037443608.db2.gz HPTQXKSTUQXIAE-XHBKTUGNSA-N 1 2 354.853 2.876 20 30 FFEDLO Cc1cc(C[NH+]2CC(Oc3ccccc3C#N)C2)cc(C)c1OCCO ZINC001235364584 1037506687 /nfs/dbraw/zinc/50/66/87/1037506687.db2.gz DXFODBLYMSTJSS-UHFFFAOYSA-N 1 2 352.434 2.809 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3c(C)nn(C)c3Cl)C[C@H]2C)CCC1 ZINC001207510404 1037507624 /nfs/dbraw/zinc/50/76/24/1037507624.db2.gz PNIXEITXSUQYER-CZUORRHYSA-N 1 2 362.905 2.512 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3c(C)nn(C)c3Cl)C[C@H]2C)CCC1 ZINC001207510404 1037507634 /nfs/dbraw/zinc/50/76/34/1037507634.db2.gz PNIXEITXSUQYER-CZUORRHYSA-N 1 2 362.905 2.512 20 30 FFEDLO C=CC(C)(C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001231274404 1037520147 /nfs/dbraw/zinc/52/01/47/1037520147.db2.gz ZIDAZMMXZCAXMT-HZPDHXFCSA-N 1 2 351.878 2.976 20 30 FFEDLO C=CC(C)(C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001231274404 1037520158 /nfs/dbraw/zinc/52/01/58/1037520158.db2.gz ZIDAZMMXZCAXMT-HZPDHXFCSA-N 1 2 351.878 2.976 20 30 FFEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001277506295 1037532874 /nfs/dbraw/zinc/53/28/74/1037532874.db2.gz GIKIEEFMDQHHOS-CQSZACIVSA-N 1 2 350.821 2.536 20 30 FFEDLO C#Cc1cccc(C[N@@H+]2CCCn3nnc(COc4cccnc4)c3C2)c1 ZINC001231656224 1037779469 /nfs/dbraw/zinc/77/94/69/1037779469.db2.gz ZAXUHAOXPRTUPL-UHFFFAOYSA-N 1 2 359.433 2.639 20 30 FFEDLO C#Cc1cccc(C[N@H+]2CCCn3nnc(COc4cccnc4)c3C2)c1 ZINC001231656224 1037779483 /nfs/dbraw/zinc/77/94/83/1037779483.db2.gz ZAXUHAOXPRTUPL-UHFFFAOYSA-N 1 2 359.433 2.639 20 30 FFEDLO Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c(C#N)c1 ZINC001207945804 1037874997 /nfs/dbraw/zinc/87/49/97/1037874997.db2.gz MBUUGFSFDPKZDI-QGZVFWFLSA-N 1 2 373.478 2.965 20 30 FFEDLO COC(=O)c1cnc2c(c1)C[N@@H+](Cc1ccc(N(C)CCC#N)cc1)CC2 ZINC001231821683 1037929072 /nfs/dbraw/zinc/92/90/72/1037929072.db2.gz JDIOVYPEQOGOCD-UHFFFAOYSA-N 1 2 364.449 2.776 20 30 FFEDLO COC(=O)c1cnc2c(c1)C[N@H+](Cc1ccc(N(C)CCC#N)cc1)CC2 ZINC001231821683 1037929085 /nfs/dbraw/zinc/92/90/85/1037929085.db2.gz JDIOVYPEQOGOCD-UHFFFAOYSA-N 1 2 364.449 2.776 20 30 FFEDLO CC(=O)[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C#N)c(Cl)c1)CC2 ZINC001277596948 1038087437 /nfs/dbraw/zinc/08/74/37/1038087437.db2.gz RHRWLVIQVJEDMK-CXAGYDPISA-N 1 2 373.884 2.907 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C(F)(F)F ZINC001208341917 1038227961 /nfs/dbraw/zinc/22/79/61/1038227961.db2.gz CFDDAJZNYZAHAK-JRPNMDOOSA-N 1 2 357.351 2.832 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C(F)(F)F ZINC001208341917 1038227965 /nfs/dbraw/zinc/22/79/65/1038227965.db2.gz CFDDAJZNYZAHAK-JRPNMDOOSA-N 1 2 357.351 2.832 20 30 FFEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(O)c(F)c(F)c1)CC2 ZINC001278009236 1038263651 /nfs/dbraw/zinc/26/36/51/1038263651.db2.gz LSNDDIFVZDSDRQ-CQSZACIVSA-N 1 2 350.409 2.965 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)cc1Br ZINC001236860778 1038313981 /nfs/dbraw/zinc/31/39/81/1038313981.db2.gz MZIWZDJTKVJCPA-CQSZACIVSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3ncccn3)C2)cc1Br ZINC001236860778 1038313990 /nfs/dbraw/zinc/31/39/90/1038313990.db2.gz MZIWZDJTKVJCPA-CQSZACIVSA-N 1 2 359.227 2.764 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(-n3cccn3)c(Cl)c2)CC1 ZINC001236901944 1038344931 /nfs/dbraw/zinc/34/49/31/1038344931.db2.gz DKACYVXMHAHJAI-UHFFFAOYSA-N 1 2 358.829 2.804 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001208485907 1038354274 /nfs/dbraw/zinc/35/42/74/1038354274.db2.gz VYZJDTWFMJUJCX-FXPVBKGRSA-N 1 2 357.214 2.920 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001208485907 1038354285 /nfs/dbraw/zinc/35/42/85/1038354285.db2.gz VYZJDTWFMJUJCX-FXPVBKGRSA-N 1 2 357.214 2.920 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(O)c(C(F)(F)F)c2)C1=O ZINC001276632452 1038755300 /nfs/dbraw/zinc/75/53/00/1038755300.db2.gz QCOSYRWQXXPGSI-QGZVFWFLSA-N 1 2 352.356 2.611 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(O)c(C(F)(F)F)c2)C1=O ZINC001276632452 1038755308 /nfs/dbraw/zinc/75/53/08/1038755308.db2.gz QCOSYRWQXXPGSI-QGZVFWFLSA-N 1 2 352.356 2.611 20 30 FFEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OC ZINC001257800935 1038983374 /nfs/dbraw/zinc/98/33/74/1038983374.db2.gz QPPFQRBKGKSGDW-GUXCAODWSA-N 1 2 364.486 2.711 20 30 FFEDLO COC[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001209896707 1039280253 /nfs/dbraw/zinc/28/02/53/1039280253.db2.gz NIGSKRWBCMONPI-GPMSIDNRSA-N 1 2 362.901 2.801 20 30 FFEDLO COC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001209896707 1039280264 /nfs/dbraw/zinc/28/02/64/1039280264.db2.gz NIGSKRWBCMONPI-GPMSIDNRSA-N 1 2 362.901 2.801 20 30 FFEDLO Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2ccc(C#N)c(F)c2)n(C)n1 ZINC001278637921 1039337894 /nfs/dbraw/zinc/33/78/94/1039337894.db2.gz AQXRUUOHKWRXTI-HDICACEKSA-N 1 2 353.445 2.588 20 30 FFEDLO Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3Cc2ccc(C#N)c(F)c2)n(C)n1 ZINC001278637921 1039337910 /nfs/dbraw/zinc/33/79/10/1039337910.db2.gz AQXRUUOHKWRXTI-HDICACEKSA-N 1 2 353.445 2.588 20 30 FFEDLO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)c(F)c2)n(C)n1 ZINC001278637921 1039337927 /nfs/dbraw/zinc/33/79/27/1039337927.db2.gz AQXRUUOHKWRXTI-HDICACEKSA-N 1 2 353.445 2.588 20 30 FFEDLO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)c(F)c2)n(C)n1 ZINC001278637921 1039337941 /nfs/dbraw/zinc/33/79/41/1039337941.db2.gz AQXRUUOHKWRXTI-HDICACEKSA-N 1 2 353.445 2.588 20 30 FFEDLO CC[C@@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC001210221073 1039434997 /nfs/dbraw/zinc/43/49/97/1039434997.db2.gz IZTJDGLOUAJZJC-KRWDZBQOSA-N 1 2 359.451 2.609 20 30 FFEDLO C#CCOc1ccc(C(=O)N2C[C@@H](CNc3cc[nH+]c(C)n3)[C@H](C)C2)cc1 ZINC001252249675 1039465616 /nfs/dbraw/zinc/46/56/16/1039465616.db2.gz FWYRZWKBVRYTIR-CRAIPNDOSA-N 1 2 364.449 2.617 20 30 FFEDLO CC(F)(F)C[NH2+]C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252310383 1039492938 /nfs/dbraw/zinc/49/29/38/1039492938.db2.gz MYSYZKMMUAPDQN-ZDUSSCGKSA-N 1 2 365.302 2.511 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)C[C@H]1C)c1ccccc1 ZINC001211241570 1040025602 /nfs/dbraw/zinc/02/56/02/1040025602.db2.gz LVISFEVHEGCFEH-MAODMQOUSA-N 1 2 364.493 2.736 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)C[C@H]1C)c1ccccc1 ZINC001211241570 1040025620 /nfs/dbraw/zinc/02/56/20/1040025620.db2.gz LVISFEVHEGCFEH-MAODMQOUSA-N 1 2 364.493 2.736 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1Cc2nnn(CC)c2[C@@H](COC)C1 ZINC001253235651 1040060361 /nfs/dbraw/zinc/06/03/61/1040060361.db2.gz MPVQGDRZSGUMLL-IAGOWNOFSA-N 1 2 350.507 2.731 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[N@H+]1Cc2nnn(CC)c2[C@@H](COC)C1 ZINC001253235651 1040060368 /nfs/dbraw/zinc/06/03/68/1040060368.db2.gz MPVQGDRZSGUMLL-IAGOWNOFSA-N 1 2 350.507 2.731 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2nc(C)c(C)s2)C[C@H]1OC ZINC001213319924 1040444724 /nfs/dbraw/zinc/44/47/24/1040444724.db2.gz GYEYIUYYOYQUQA-BZUAXINKSA-N 1 2 351.516 2.678 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2nc(C)c(C)s2)C[C@H]1OC ZINC001213319924 1040444731 /nfs/dbraw/zinc/44/47/31/1040444731.db2.gz GYEYIUYYOYQUQA-BZUAXINKSA-N 1 2 351.516 2.678 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213320562 1040447947 /nfs/dbraw/zinc/44/79/47/1040447947.db2.gz ZSONVWLVYITRPY-PWIZWCRZSA-N 1 2 358.457 2.595 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213320562 1040447952 /nfs/dbraw/zinc/44/79/52/1040447952.db2.gz ZSONVWLVYITRPY-PWIZWCRZSA-N 1 2 358.457 2.595 20 30 FFEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cn(C)c3ccnc(Cl)c23)CC1 ZINC001248838495 1040459586 /nfs/dbraw/zinc/45/95/86/1040459586.db2.gz WOLNAVBMHDELIF-UHFFFAOYSA-N 1 2 360.845 2.896 20 30 FFEDLO CC[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1OC)C(C)C ZINC001213747492 1040868514 /nfs/dbraw/zinc/86/85/14/1040868514.db2.gz KIJBCEMJVJYYSG-NSISKUIASA-N 1 2 357.498 2.946 20 30 FFEDLO CC[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1OC)C(C)C ZINC001213747492 1040868523 /nfs/dbraw/zinc/86/85/23/1040868523.db2.gz KIJBCEMJVJYYSG-NSISKUIASA-N 1 2 357.498 2.946 20 30 FFEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254731922 1040917167 /nfs/dbraw/zinc/91/71/67/1040917167.db2.gz QAMLJWBICNINSH-KGLIPLIRSA-N 1 2 372.531 2.617 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1OC)c1ccccc1 ZINC001213895461 1041036790 /nfs/dbraw/zinc/03/67/90/1041036790.db2.gz BGBRVBMLCBYERA-XUVXKRRUSA-N 1 2 369.465 2.658 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1OC)c1ccccc1 ZINC001213895461 1041036808 /nfs/dbraw/zinc/03/68/08/1041036808.db2.gz BGBRVBMLCBYERA-XUVXKRRUSA-N 1 2 369.465 2.658 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@]34C[C@H]3CCCC4)CC2)cc1 ZINC001255449700 1041344245 /nfs/dbraw/zinc/34/42/45/1041344245.db2.gz VGBGKQWTWUYZLA-CTNGQTDRSA-N 1 2 352.482 2.966 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@H]4[C@@H](C3)C4(F)F)CC2)cc1 ZINC001261663537 1041360084 /nfs/dbraw/zinc/36/00/84/1041360084.db2.gz MNBLIYHZKFEYLQ-FGTMMUONSA-N 1 2 374.435 2.819 20 30 FFEDLO N#Cc1ccc(F)c(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)c1 ZINC001214601630 1041499949 /nfs/dbraw/zinc/49/99/49/1041499949.db2.gz WGMMYJBBBIDFPW-UHFFFAOYSA-N 1 2 352.413 2.962 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(OC)c(O)c1Cl ZINC001276736021 1041973986 /nfs/dbraw/zinc/97/39/86/1041973986.db2.gz QCZBEFBOIZJRKT-IBGZPJMESA-N 1 2 362.857 2.644 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(OC)c(O)c1Cl ZINC001276736021 1041973988 /nfs/dbraw/zinc/97/39/88/1041973988.db2.gz QCZBEFBOIZJRKT-IBGZPJMESA-N 1 2 362.857 2.644 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCc2c1cccc2C ZINC001262957026 1041988484 /nfs/dbraw/zinc/98/84/84/1041988484.db2.gz GUSPEJPWBVDOLR-UHFFFAOYSA-N 1 2 367.497 2.671 20 30 FFEDLO CCCCCCCC[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001216806266 1042128677 /nfs/dbraw/zinc/12/86/77/1042128677.db2.gz IPDFROQWWCSMPH-BRWVUGGUSA-N 1 2 364.538 2.533 20 30 FFEDLO C=CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)no2)C1)c1ccccc1 ZINC001216806451 1042128683 /nfs/dbraw/zinc/12/86/83/1042128683.db2.gz PBFJXPMYYLAOQN-ZTFGCOKTSA-N 1 2 354.454 2.674 20 30 FFEDLO COCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](C)C[C@H]1C ZINC001263266519 1042208963 /nfs/dbraw/zinc/20/89/63/1042208963.db2.gz SAXAVWRJQOKPGN-IAGOWNOFSA-N 1 2 374.533 2.642 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCCC[C@@H](C)C1 ZINC001263315865 1042237102 /nfs/dbraw/zinc/23/71/02/1042237102.db2.gz IOONCECVHRKMLC-QGZVFWFLSA-N 1 2 361.534 2.685 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nccc(C)n2)C[C@H]1c1ccccc1 ZINC001263882770 1042505016 /nfs/dbraw/zinc/50/50/16/1042505016.db2.gz APARMVRQQQRUDP-RBUKOAKNSA-N 1 2 350.466 2.835 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nccc(C)n2)C[C@H]1c1ccccc1 ZINC001263882770 1042505018 /nfs/dbraw/zinc/50/50/18/1042505018.db2.gz APARMVRQQQRUDP-RBUKOAKNSA-N 1 2 350.466 2.835 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC(C)(C)O)C1 ZINC001264036770 1042589590 /nfs/dbraw/zinc/58/95/90/1042589590.db2.gz KSFAESIHLYDHGG-IAGOWNOFSA-N 1 2 350.890 2.874 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC(C)(C)O)C1 ZINC001264036770 1042589591 /nfs/dbraw/zinc/58/95/91/1042589591.db2.gz KSFAESIHLYDHGG-IAGOWNOFSA-N 1 2 350.890 2.874 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)Nc2cccc(F)c2)[C@@H]1CC ZINC001264060829 1042605769 /nfs/dbraw/zinc/60/57/69/1042605769.db2.gz OIHKMOFADZOIDB-DLBZAZTESA-N 1 2 361.461 2.946 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2cccc(F)c2)[C@@H]1CC ZINC001264060829 1042605772 /nfs/dbraw/zinc/60/57/72/1042605772.db2.gz OIHKMOFADZOIDB-DLBZAZTESA-N 1 2 361.461 2.946 20 30 FFEDLO C=CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cnn(C)n2)[C@@H]1CC)c1ccccc1 ZINC001264625967 1042757699 /nfs/dbraw/zinc/75/76/99/1042757699.db2.gz QADPZJFPGQUGSR-SLFFLAALSA-N 1 2 367.497 2.644 20 30 FFEDLO C=CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)n2)[C@@H]1CC)c1ccccc1 ZINC001264625967 1042757704 /nfs/dbraw/zinc/75/77/04/1042757704.db2.gz QADPZJFPGQUGSR-SLFFLAALSA-N 1 2 367.497 2.644 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](CC(=O)Nc2cccc3ccccc32)[C@@H]1C ZINC001264694934 1042782093 /nfs/dbraw/zinc/78/20/93/1042782093.db2.gz QVMBFRCMMJIKFX-DAYGRLMNSA-N 1 2 364.449 2.517 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2cccc3ccccc32)[C@@H]1C ZINC001264694934 1042782098 /nfs/dbraw/zinc/78/20/98/1042782098.db2.gz QVMBFRCMMJIKFX-DAYGRLMNSA-N 1 2 364.449 2.517 20 30 FFEDLO COc1cc(C)ccc1C[NH+]1CC2(CCN2Cc2cc(C#N)n(C)c2)C1 ZINC001279398810 1043056813 /nfs/dbraw/zinc/05/68/13/1043056813.db2.gz LSTSWJRPMMAOCQ-UHFFFAOYSA-N 1 2 350.466 2.674 20 30 FFEDLO N#Cc1cc(Cl)cc(CN2CC([NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001237752092 1043342077 /nfs/dbraw/zinc/34/20/77/1043342077.db2.gz CCZTWBNVXYBGRD-UHFFFAOYSA-N 1 2 367.884 2.613 20 30 FFEDLO N#CCc1ccccc1S(=O)(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001309800042 1043532623 /nfs/dbraw/zinc/53/26/23/1043532623.db2.gz SKCTXDSOVCLYMJ-GOSISDBHSA-N 1 2 366.446 2.669 20 30 FFEDLO N#CCC1CN(C(=O)c2ccc3c(n2)CC[N@@H+](Cc2ccsc2)C3)C1 ZINC001279785519 1043638952 /nfs/dbraw/zinc/63/89/52/1043638952.db2.gz RJGTYFWDOKQESH-UHFFFAOYSA-N 1 2 352.463 2.687 20 30 FFEDLO N#CCC1CN(C(=O)c2ccc3c(n2)CC[N@H+](Cc2ccsc2)C3)C1 ZINC001279785519 1043638954 /nfs/dbraw/zinc/63/89/54/1043638954.db2.gz RJGTYFWDOKQESH-UHFFFAOYSA-N 1 2 352.463 2.687 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCc3onc(C(=O)N4CC(CC#N)C4)c3C2)cc1 ZINC001279816500 1043696398 /nfs/dbraw/zinc/69/63/98/1043696398.db2.gz PLWYMBYYGCFFAW-UHFFFAOYSA-N 1 2 350.422 2.527 20 30 FFEDLO Cc1ccc(C[N@H+]2CCc3onc(C(=O)N4CC(CC#N)C4)c3C2)cc1 ZINC001279816500 1043696400 /nfs/dbraw/zinc/69/64/00/1043696400.db2.gz PLWYMBYYGCFFAW-UHFFFAOYSA-N 1 2 350.422 2.527 20 30 FFEDLO CCCCCCCCNC(=S)N1CC2(C1)CC[N@H+](COCCOC)C2 ZINC001279925991 1043929880 /nfs/dbraw/zinc/92/98/80/1043929880.db2.gz ZTMOKMFESUKYMB-UHFFFAOYSA-N 1 2 371.591 2.850 20 30 FFEDLO CCCCCCCCNC(=S)N1CC2(C1)CC[N@@H+](COCCOC)C2 ZINC001279925991 1043929889 /nfs/dbraw/zinc/92/98/89/1043929889.db2.gz ZTMOKMFESUKYMB-UHFFFAOYSA-N 1 2 371.591 2.850 20 30 FFEDLO N#Cc1ccc(-c2cccc(CNC(=O)N[C@H]3Cc4c[nH+]cn4C3)c2)s1 ZINC001312056112 1044030080 /nfs/dbraw/zinc/03/00/80/1044030080.db2.gz OELGLMJFHRGRBW-HNNXBMFYSA-N 1 2 363.446 2.907 20 30 FFEDLO Cc1ncsc1C[N@@H+]1CCC12CN(CCOc1ccccc1C#N)C2 ZINC001280060721 1044151884 /nfs/dbraw/zinc/15/18/84/1044151884.db2.gz UDAPGFGOKGWDFR-UHFFFAOYSA-N 1 2 354.479 2.662 20 30 FFEDLO Cc1ncsc1C[N@H+]1CCC12CN(CCOc1ccccc1C#N)C2 ZINC001280060721 1044151889 /nfs/dbraw/zinc/15/18/89/1044151889.db2.gz UDAPGFGOKGWDFR-UHFFFAOYSA-N 1 2 354.479 2.662 20 30 FFEDLO N#Cc1ccc2ncnc(-c3ccc(OCC[NH+]4CCOCC4)cc3)c2c1 ZINC001240447497 1044345646 /nfs/dbraw/zinc/34/56/46/1044345646.db2.gz FHTYOQOWSKBEJI-UHFFFAOYSA-N 1 2 360.417 2.879 20 30 FFEDLO N#CC1(NC(=O)[C@H]2CC23C[NH+](Cc2ccccc2OC(F)F)C3)CCC1 ZINC001280206321 1044398360 /nfs/dbraw/zinc/39/83/60/1044398360.db2.gz LDAGOKMMVWBXLD-CQSZACIVSA-N 1 2 361.392 2.672 20 30 FFEDLO N#CCC1CN(C(=O)c2n[nH]c3c2C[N@H+](CCCC2CCCC2)CC3)C1 ZINC001280209350 1044402590 /nfs/dbraw/zinc/40/25/90/1044402590.db2.gz KQQBQZFLVQUBDM-UHFFFAOYSA-N 1 2 355.486 2.724 20 30 FFEDLO N#CCC1CN(C(=O)c2n[nH]c3c2C[N@@H+](CCCC2CCCC2)CC3)C1 ZINC001280209350 1044402595 /nfs/dbraw/zinc/40/25/95/1044402595.db2.gz KQQBQZFLVQUBDM-UHFFFAOYSA-N 1 2 355.486 2.724 20 30 FFEDLO CCc1cc(C[NH+]2CC3(CCN3C(=O)NCC(F)(F)F)C2)ccc1C#N ZINC001280218472 1044411772 /nfs/dbraw/zinc/41/17/72/1044411772.db2.gz VZMQXESYZHVTQF-UHFFFAOYSA-N 1 2 366.387 2.653 20 30 FFEDLO Cc1cc(C)cc(C[NH+]2CC3(C2)CC[C@H](C(=O)NC2(C#N)CCC2)O3)c1 ZINC001280327237 1044613289 /nfs/dbraw/zinc/61/32/89/1044613289.db2.gz FWFJGJZVCNDJTK-GOSISDBHSA-N 1 2 353.466 2.599 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2CC)c1 ZINC001281956512 1045258074 /nfs/dbraw/zinc/25/80/74/1045258074.db2.gz FUKNQVQRFUYHAO-MISYRCLQSA-N 1 2 367.493 2.575 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2CC)c1 ZINC001281956512 1045258085 /nfs/dbraw/zinc/25/80/85/1045258085.db2.gz FUKNQVQRFUYHAO-MISYRCLQSA-N 1 2 367.493 2.575 20 30 FFEDLO C=CCCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001282196804 1045411383 /nfs/dbraw/zinc/41/13/83/1045411383.db2.gz IGNAODZNTDAPJC-PMPSAXMXSA-N 1 2 358.486 2.539 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H]1C ZINC001282347471 1045514161 /nfs/dbraw/zinc/51/41/61/1045514161.db2.gz AMPSBUXHOOSJSB-NUJGCVRESA-N 1 2 358.486 2.708 20 30 FFEDLO C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001282645010 1046009582 /nfs/dbraw/zinc/00/95/82/1046009582.db2.gz NAMOMQSUQRDTBA-OWSLCNJRSA-N 1 2 372.513 2.931 20 30 FFEDLO C=CCN(CCc1ccco1)c1nnc(C)n1Cc1c[nH+]ccc1OC ZINC001540182391 1070781066 /nfs/dbraw/zinc/78/10/66/1070781066.db2.gz QRIYCCBYKWOZTJ-UHFFFAOYSA-N 1 2 353.426 2.867 20 30 FFEDLO C=CCCC1(C(=O)N2CC[C@@H](N(CC)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001285020424 1046688524 /nfs/dbraw/zinc/68/85/24/1046688524.db2.gz SJEWVHWRIJNKRR-BRWVUGGUSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCCC1(C(=O)N2CC[C@@H](N(CC)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001285020424 1046688530 /nfs/dbraw/zinc/68/85/30/1046688530.db2.gz SJEWVHWRIJNKRR-BRWVUGGUSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCN(C(=O)[C@@H](C)n1cc[nH+]c1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001325987513 1046710757 /nfs/dbraw/zinc/71/07/57/1046710757.db2.gz KAZGRFCEKJBSTR-AEFFLSMTSA-N 1 2 355.438 2.633 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001285992768 1046981662 /nfs/dbraw/zinc/98/16/62/1046981662.db2.gz YISQEISFWMIMFM-WHSLLNHNSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001285992768 1046981668 /nfs/dbraw/zinc/98/16/68/1046981668.db2.gz YISQEISFWMIMFM-WHSLLNHNSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CCCCC(=O)N1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001286161991 1047040920 /nfs/dbraw/zinc/04/09/20/1047040920.db2.gz NDNWNGFGIACNBD-QINHECLXSA-N 1 2 358.486 2.614 20 30 FFEDLO C=CCCCC(=O)N1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001286161991 1047040932 /nfs/dbraw/zinc/04/09/32/1047040932.db2.gz NDNWNGFGIACNBD-QINHECLXSA-N 1 2 358.486 2.614 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CC(C)(C)CCOC)CC1 ZINC001286471675 1047121341 /nfs/dbraw/zinc/12/13/41/1047121341.db2.gz MICXLGKDYHPGNG-QGZVFWFLSA-N 1 2 361.534 2.610 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccn3)n2CC2(C)CCCC2)CC1 ZINC001286476539 1047121487 /nfs/dbraw/zinc/12/14/87/1047121487.db2.gz YQHJOMSONYVULG-UHFFFAOYSA-N 1 2 364.497 2.676 20 30 FFEDLO C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001286697338 1047155090 /nfs/dbraw/zinc/15/50/90/1047155090.db2.gz KGRRHNIUNLEOKR-UHFFFAOYSA-N 1 2 363.469 2.961 20 30 FFEDLO C=CCCCC(=O)NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC001288233398 1047428577 /nfs/dbraw/zinc/42/85/77/1047428577.db2.gz WKDSTLGVAKIGIY-BFYDXBDKSA-N 1 2 360.502 2.527 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@H]1Cc1ccccc1 ZINC001327339722 1047857159 /nfs/dbraw/zinc/85/71/59/1047857159.db2.gz AGFRLGCTSBBYOK-OAQYLSRUSA-N 1 2 363.461 2.808 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@H]1Cc1ccccc1 ZINC001327339722 1047857172 /nfs/dbraw/zinc/85/71/72/1047857172.db2.gz AGFRLGCTSBBYOK-OAQYLSRUSA-N 1 2 363.461 2.808 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3cnc(-c4ccccc4)o3)CC2)c1C#N ZINC001333009693 1048670931 /nfs/dbraw/zinc/67/09/31/1048670931.db2.gz OLKUTAVHYAHHCC-UHFFFAOYSA-N 1 2 362.437 2.577 20 30 FFEDLO C=CCC(CC=C)C(=O)NC[C@]12CCC[C@H]1N(C(=O)Cn1cc[nH+]c1)CC2 ZINC001291725233 1048871060 /nfs/dbraw/zinc/87/10/60/1048871060.db2.gz NLMKSJWTFUCRRH-WIYYLYMNSA-N 1 2 370.497 2.539 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCn2cc[nH+]c2)CCCC1 ZINC001292153814 1049147641 /nfs/dbraw/zinc/14/76/41/1049147641.db2.gz UCMHDZRFOXXDBI-KURKYZTESA-N 1 2 370.497 2.658 20 30 FFEDLO C=CCC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3[nH+]ccn31)C2 ZINC001292155863 1049148645 /nfs/dbraw/zinc/14/86/45/1049148645.db2.gz WJHZCWVVUQVTRM-OAGGEKHMSA-N 1 2 366.465 2.798 20 30 FFEDLO C=CCO[C@@H]1CCN(c2cc(C)[nH+]c(N3CC[C@H](OCC=C)C3)c2C#N)C1 ZINC001330653846 1049252473 /nfs/dbraw/zinc/25/24/73/1049252473.db2.gz SWQGULYHGUCKJA-MSOLQXFVSA-N 1 2 368.481 2.824 20 30 FFEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001292717110 1049382994 /nfs/dbraw/zinc/38/29/94/1049382994.db2.gz NMPCZKCZGSHWNH-INIZCTEOSA-N 1 2 365.437 2.796 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@H](c2cccc(F)c2)C1 ZINC001339879801 1050296018 /nfs/dbraw/zinc/29/60/18/1050296018.db2.gz CQYKXSRQINOPFS-INIZCTEOSA-N 1 2 366.444 2.921 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCCC[C@H](SCC)C1 ZINC001339880212 1050297594 /nfs/dbraw/zinc/29/75/94/1050297594.db2.gz MYXANIUFJUQLAN-HNNXBMFYSA-N 1 2 360.531 2.900 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@@H]3CCC[C@@H]32)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001341837534 1050448641 /nfs/dbraw/zinc/44/86/41/1050448641.db2.gz FZAQLRBFANIPNG-CLWJZODNSA-N 1 2 359.518 2.535 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@@H]3CCC[C@@H]32)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001341837534 1050448650 /nfs/dbraw/zinc/44/86/50/1050448650.db2.gz FZAQLRBFANIPNG-CLWJZODNSA-N 1 2 359.518 2.535 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001341854768 1050465874 /nfs/dbraw/zinc/46/58/74/1050465874.db2.gz UWMBGUUYEBYZAH-KRWDZBQOSA-N 1 2 369.517 2.568 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC001341867874 1050476456 /nfs/dbraw/zinc/47/64/56/1050476456.db2.gz FLQYOSSVAPYJGX-KRWDZBQOSA-N 1 2 370.501 2.574 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N(CC1CCCCC1)C1CC1 ZINC001342061128 1050658809 /nfs/dbraw/zinc/65/88/09/1050658809.db2.gz CTWAQFGSDXSAML-ZWKOTPCHSA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N(CC1CCCCC1)C1CC1 ZINC001342061128 1050658816 /nfs/dbraw/zinc/65/88/16/1050658816.db2.gz CTWAQFGSDXSAML-ZWKOTPCHSA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(Cc1ccccc1F)C1CC1 ZINC001340373867 1050767446 /nfs/dbraw/zinc/76/74/46/1050767446.db2.gz GAPIERLCZXEXMX-AEFFLSMTSA-N 1 2 371.460 2.510 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(Cc1ccccc1F)C1CC1 ZINC001340373867 1050767463 /nfs/dbraw/zinc/76/74/63/1050767463.db2.gz GAPIERLCZXEXMX-AEFFLSMTSA-N 1 2 371.460 2.510 20 30 FFEDLO CCOCCCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001342362315 1050956579 /nfs/dbraw/zinc/95/65/79/1050956579.db2.gz LTOAVGPTIHUCNX-XLIONFOSSA-N 1 2 374.533 2.992 20 30 FFEDLO CCOCCCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001342362315 1050956589 /nfs/dbraw/zinc/95/65/89/1050956589.db2.gz LTOAVGPTIHUCNX-XLIONFOSSA-N 1 2 374.533 2.992 20 30 FFEDLO C=CCn1c(-c2csc(C)n2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001342384898 1050979062 /nfs/dbraw/zinc/97/90/62/1050979062.db2.gz KCONZMKTEVVJOZ-UHFFFAOYSA-N 1 2 367.482 2.618 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@H](C)c1ccc(OC)cc1 ZINC001340594691 1050979703 /nfs/dbraw/zinc/97/97/03/1050979703.db2.gz RQRUSFJQZTXZQP-OAHLLOKOSA-N 1 2 366.469 2.994 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)Cc1cnccn1 ZINC001340640635 1051017445 /nfs/dbraw/zinc/01/74/45/1051017445.db2.gz HMXGGGFIQJIMIM-QGZVFWFLSA-N 1 2 366.473 2.723 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](CC)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001342521764 1051125011 /nfs/dbraw/zinc/12/50/11/1051125011.db2.gz IDYRNUDNIDVADN-ABSDTBQOSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](CC)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001342521764 1051125015 /nfs/dbraw/zinc/12/50/15/1051125015.db2.gz IDYRNUDNIDVADN-ABSDTBQOSA-N 1 2 361.534 2.782 20 30 FFEDLO CCOCCCn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC001342560330 1051164138 /nfs/dbraw/zinc/16/41/38/1051164138.db2.gz HUBPFVUMJWGLDW-ULQDDVLXSA-N 1 2 360.506 2.600 20 30 FFEDLO CCOCCCn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC001342560330 1051164142 /nfs/dbraw/zinc/16/41/42/1051164142.db2.gz HUBPFVUMJWGLDW-ULQDDVLXSA-N 1 2 360.506 2.600 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001342671350 1051279897 /nfs/dbraw/zinc/27/98/97/1051279897.db2.gz BKCAFTLERMMGGH-SJLPKXTDSA-N 1 2 369.517 2.738 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001342671350 1051279908 /nfs/dbraw/zinc/27/99/08/1051279908.db2.gz BKCAFTLERMMGGH-SJLPKXTDSA-N 1 2 369.517 2.738 20 30 FFEDLO C=CC[C@@H]1N(c2nnc(C[N@@H+]3CCC[C@H](O)C3)n2CC)CCCC1(C)C ZINC001341086806 1051432730 /nfs/dbraw/zinc/43/27/30/1051432730.db2.gz OCRDXOPKCMSZAK-IRXDYDNUSA-N 1 2 361.534 2.826 20 30 FFEDLO C=CC[C@@H]1N(c2nnc(C[N@H+]3CCC[C@H](O)C3)n2CC)CCCC1(C)C ZINC001341086806 1051432735 /nfs/dbraw/zinc/43/27/35/1051432735.db2.gz OCRDXOPKCMSZAK-IRXDYDNUSA-N 1 2 361.534 2.826 20 30 FFEDLO CCn1c([C@H]2C[C@H]2C#N)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001341168677 1051522648 /nfs/dbraw/zinc/52/26/48/1051522648.db2.gz WBQYFILSKHGHTD-RDJZCZTQSA-N 1 2 370.888 2.901 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)CC(F)(F)F ZINC001342999653 1051616216 /nfs/dbraw/zinc/61/62/16/1051616216.db2.gz OCKDFPHVOIZTJX-UONOGXRCSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)CC(F)(F)F ZINC001342999653 1051616219 /nfs/dbraw/zinc/61/62/19/1051616219.db2.gz OCKDFPHVOIZTJX-UONOGXRCSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c([C@H](O)C2CC2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001343052590 1051669842 /nfs/dbraw/zinc/66/98/42/1051669842.db2.gz HTGGJVBYEBKNIO-GOSISDBHSA-N 1 2 368.485 2.774 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@H](c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2CC2)C1 ZINC001345100298 1052257093 /nfs/dbraw/zinc/25/70/93/1052257093.db2.gz UVSVBXLTWODFEZ-PXNSSMCTSA-N 1 2 372.517 2.600 20 30 FFEDLO CC(C)[N@H+]1CCO[C@H](c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2CC2)C1 ZINC001345100298 1052257101 /nfs/dbraw/zinc/25/71/01/1052257101.db2.gz UVSVBXLTWODFEZ-PXNSSMCTSA-N 1 2 372.517 2.600 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(CCO)CCc1ccccc1 ZINC001343546579 1052298226 /nfs/dbraw/zinc/29/82/26/1052298226.db2.gz RQKQHRQCNQHKBA-IBGZPJMESA-N 1 2 369.513 2.662 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(CCO)CCc1ccccc1 ZINC001343546579 1052298232 /nfs/dbraw/zinc/29/82/32/1052298232.db2.gz RQKQHRQCNQHKBA-IBGZPJMESA-N 1 2 369.513 2.662 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[C@@H]2C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001343639893 1052350396 /nfs/dbraw/zinc/35/03/96/1052350396.db2.gz UCRKZIKEDYQTEG-YOEHRIQHSA-N 1 2 356.474 2.596 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1Cc1ccccc1 ZINC001343687242 1052374625 /nfs/dbraw/zinc/37/46/25/1052374625.db2.gz VCHCZZCYXBNHTE-IEBWSBKVSA-N 1 2 367.497 2.566 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1Cc1ccccc1 ZINC001343687242 1052374630 /nfs/dbraw/zinc/37/46/30/1052374630.db2.gz VCHCZZCYXBNHTE-IEBWSBKVSA-N 1 2 367.497 2.566 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001345374370 1052411924 /nfs/dbraw/zinc/41/19/24/1052411924.db2.gz XXOKMTYTBJBXIS-AEFFLSMTSA-N 1 2 366.465 2.556 20 30 FFEDLO CC(C)(COC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)n1cc[nH+]c1 ZINC001344108065 1052600891 /nfs/dbraw/zinc/60/08/91/1052600891.db2.gz RDMRODUENVWKBE-OAHLLOKOSA-N 1 2 356.401 2.699 20 30 FFEDLO CN(c1nnc(C[NH+]2CCCCC2)n1C[C@@H]1CCCO1)[C@@H]1CCC[C@@H]1C#N ZINC001344117999 1052607235 /nfs/dbraw/zinc/60/72/35/1052607235.db2.gz JLUOZBVBXYWJSW-FGTMMUONSA-N 1 2 372.517 2.571 20 30 FFEDLO C#CCN(C)c1nnc([C@H](C)[N@H+](C)Cc2ccccc2)n1C[C@@H]1CCOC1 ZINC001344213283 1052638496 /nfs/dbraw/zinc/63/84/96/1052638496.db2.gz MWFNQCXXYUBBKW-HKUYNNGSSA-N 1 2 367.497 2.577 20 30 FFEDLO C#CCN(C)c1nnc([C@H](C)[N@@H+](C)Cc2ccccc2)n1C[C@@H]1CCOC1 ZINC001344213283 1052638502 /nfs/dbraw/zinc/63/85/02/1052638502.db2.gz MWFNQCXXYUBBKW-HKUYNNGSSA-N 1 2 367.497 2.577 20 30 FFEDLO C=CCCCN(CC)c1nnc(Cc2[nH+]ccn2C)n1C[C@@H]1CCCO1 ZINC001344586929 1052846855 /nfs/dbraw/zinc/84/68/55/1052846855.db2.gz PKLRTSMKWZHDKR-INIZCTEOSA-N 1 2 358.490 2.574 20 30 FFEDLO C=CCCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3[nH+]ccn31)C2 ZINC001347164688 1053681632 /nfs/dbraw/zinc/68/16/32/1053681632.db2.gz NKIPWSZEXKDSDX-PMPSAXMXSA-N 1 2 352.438 2.552 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)cc1 ZINC001337339978 1054670723 /nfs/dbraw/zinc/67/07/23/1054670723.db2.gz FWQPQLIXCQGSGM-QUCCMNQESA-N 1 2 362.408 2.553 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(CCC)Cc1ccccc1 ZINC001351605264 1054917717 /nfs/dbraw/zinc/91/77/17/1054917717.db2.gz SOAMLWMKHKBFBG-MSOLQXFVSA-N 1 2 355.486 2.618 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(CCC)Cc1ccccc1 ZINC001351605264 1054917730 /nfs/dbraw/zinc/91/77/30/1054917730.db2.gz SOAMLWMKHKBFBG-MSOLQXFVSA-N 1 2 355.486 2.618 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC(c2nc(C)no2)CC1 ZINC001351657053 1054941396 /nfs/dbraw/zinc/94/13/96/1054941396.db2.gz QSWDICUZIRHKAU-UHFFFAOYSA-N 1 2 371.489 2.525 20 30 FFEDLO C=C(C)c1cccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC001337962625 1055130774 /nfs/dbraw/zinc/13/07/74/1055130774.db2.gz QSEASHVNGHNFDO-QAPCUYQASA-N 1 2 352.438 2.964 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(CC)CCc1cccs1 ZINC001352092878 1055187299 /nfs/dbraw/zinc/18/72/99/1055187299.db2.gz DNOXUJGBGBTIPM-UHFFFAOYSA-N 1 2 356.499 2.919 20 30 FFEDLO C=CC1CCN(c2nnc([C@@H]3CCC[N@H+]3C)n2Cc2cc(C)on2)CC1 ZINC001349479617 1055287127 /nfs/dbraw/zinc/28/71/27/1055287127.db2.gz HJSNIGBORFRMKT-KRWDZBQOSA-N 1 2 356.474 2.792 20 30 FFEDLO C=CC1CCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2Cc2cc(C)on2)CC1 ZINC001349479617 1055287138 /nfs/dbraw/zinc/28/71/38/1055287138.db2.gz HJSNIGBORFRMKT-KRWDZBQOSA-N 1 2 356.474 2.792 20 30 FFEDLO COC(=O)/C=C\c1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)o1 ZINC000848882182 1055295909 /nfs/dbraw/zinc/29/59/09/1055295909.db2.gz MLNAZAMCCOFEPH-FPLPWBNLSA-N 1 2 369.396 2.799 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCc2c(O)cccc2C1 ZINC001356209682 1055387056 /nfs/dbraw/zinc/38/70/56/1055387056.db2.gz AKNPCNIMMJHPDR-QGZVFWFLSA-N 1 2 353.470 2.889 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCc2c(O)cccc2C1 ZINC001356209682 1055387069 /nfs/dbraw/zinc/38/70/69/1055387069.db2.gz AKNPCNIMMJHPDR-QGZVFWFLSA-N 1 2 353.470 2.889 20 30 FFEDLO C=C(C)Cn1c([C@@H](O)/C=C/CC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001356240242 1055413912 /nfs/dbraw/zinc/41/39/12/1055413912.db2.gz XBXXAMQWRIYYCV-JZLODUJNSA-N 1 2 368.485 2.575 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001350574599 1055841433 /nfs/dbraw/zinc/84/14/33/1055841433.db2.gz XZQNUSXSNUNFAZ-FUHWJXTLSA-N 1 2 368.481 2.681 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001338851033 1055870792 /nfs/dbraw/zinc/87/07/92/1055870792.db2.gz GRAQMPLTHIVUIW-OWCLPIDISA-N 1 2 365.547 2.576 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001338851033 1055870797 /nfs/dbraw/zinc/87/07/97/1055870797.db2.gz GRAQMPLTHIVUIW-OWCLPIDISA-N 1 2 365.547 2.576 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCc2cc(C)c(C)cc21 ZINC001338894981 1055911979 /nfs/dbraw/zinc/91/19/79/1055911979.db2.gz MFGUMHMOAZFQTH-FUHWJXTLSA-N 1 2 353.470 2.513 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCc2cc(C)c(C)cc21 ZINC001338894981 1055911991 /nfs/dbraw/zinc/91/19/91/1055911991.db2.gz MFGUMHMOAZFQTH-FUHWJXTLSA-N 1 2 353.470 2.513 20 30 FFEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1C[C@@H]2COC[C@@H]2C1 ZINC001338994945 1055999171 /nfs/dbraw/zinc/99/91/71/1055999171.db2.gz KIJJHUUIEHIPSA-YTQUADARSA-N 1 2 367.497 2.740 20 30 FFEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1C[C@@H]2COC[C@@H]2C1 ZINC001338994945 1055999184 /nfs/dbraw/zinc/99/91/84/1055999184.db2.gz KIJJHUUIEHIPSA-YTQUADARSA-N 1 2 367.497 2.740 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@H](C)Cc1ccc(O)cc1 ZINC001339091277 1056083204 /nfs/dbraw/zinc/08/32/04/1056083204.db2.gz RCUHRBDDBZNVQB-OAHLLOKOSA-N 1 2 366.469 2.561 20 30 FFEDLO C=CC[C@@H]1N(c2nnc([C@@]3(C)C[C@H](O)C[N@H+]3C)n2CC=C)CCCC1(C)C ZINC001339198077 1056193495 /nfs/dbraw/zinc/19/34/95/1056193495.db2.gz UXJHQQRAOPDDMC-XGHQBKJUSA-N 1 2 373.545 2.947 20 30 FFEDLO C=CC[C@@H]1N(c2nnc([C@@]3(C)C[C@H](O)C[N@@H+]3C)n2CC=C)CCCC1(C)C ZINC001339198077 1056193504 /nfs/dbraw/zinc/19/35/04/1056193504.db2.gz UXJHQQRAOPDDMC-XGHQBKJUSA-N 1 2 373.545 2.947 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCOC2(C1)CCCCCC2 ZINC001339209734 1056208902 /nfs/dbraw/zinc/20/89/02/1056208902.db2.gz CYCDGCJTHXNQBO-UHFFFAOYSA-N 1 2 370.501 2.718 20 30 FFEDLO C=CCNC(=S)N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001200286816 1056240455 /nfs/dbraw/zinc/24/04/55/1056240455.db2.gz RRKVPIAAOJSGCP-UHFFFAOYSA-N 1 2 363.502 2.553 20 30 FFEDLO C=CCNC(=S)N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001200286816 1056240462 /nfs/dbraw/zinc/24/04/62/1056240462.db2.gz RRKVPIAAOJSGCP-UHFFFAOYSA-N 1 2 363.502 2.553 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001339369249 1056384333 /nfs/dbraw/zinc/38/43/33/1056384333.db2.gz YRUZXVBXIJCQOS-KRWDZBQOSA-N 1 2 368.485 2.978 20 30 FFEDLO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000615787911 1056528149 /nfs/dbraw/zinc/52/81/49/1056528149.db2.gz OOGCQZCKLDCWAF-LBPRGKRZSA-N 1 2 366.812 2.795 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCCC2(CCCC2)CC1 ZINC001339528250 1056550309 /nfs/dbraw/zinc/55/03/09/1056550309.db2.gz ABXBBVWXVPVUOZ-DLBZAZTESA-N 1 2 359.518 2.752 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCCC2(CCCC2)CC1 ZINC001339528250 1056550318 /nfs/dbraw/zinc/55/03/18/1056550318.db2.gz ABXBBVWXVPVUOZ-DLBZAZTESA-N 1 2 359.518 2.752 20 30 FFEDLO C#Cc1ccc(NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(Cl)c1 ZINC001339532997 1056556126 /nfs/dbraw/zinc/55/61/26/1056556126.db2.gz LBDUEKNUQZLDBD-INIZCTEOSA-N 1 2 372.856 2.687 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(c2ccon2)CC1 ZINC001339541913 1056565752 /nfs/dbraw/zinc/56/57/52/1056565752.db2.gz LOOVWKGQUCHIIY-QGZVFWFLSA-N 1 2 356.474 2.993 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(c2ccon2)CC1 ZINC001339541913 1056565762 /nfs/dbraw/zinc/56/57/62/1056565762.db2.gz LOOVWKGQUCHIIY-QGZVFWFLSA-N 1 2 356.474 2.993 20 30 FFEDLO C[C@@H]1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2C)CC12CCC2 ZINC001339627126 1056652810 /nfs/dbraw/zinc/65/28/10/1056652810.db2.gz FAYDIPGMNIQROS-MRXNPFEDSA-N 1 2 356.518 2.925 20 30 FFEDLO O=C(CCc1ccoc1)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001518017717 1058238063 /nfs/dbraw/zinc/23/80/63/1058238063.db2.gz MGROXIQQHUSHIA-UHFFFAOYSA-N 1 2 359.447 2.701 20 30 FFEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCCc1cn2c([nH+]1)CCCC2 ZINC001518356938 1058355624 /nfs/dbraw/zinc/35/56/24/1058355624.db2.gz MSPHDYSPBNZXES-UHFFFAOYSA-N 1 2 368.437 2.527 20 30 FFEDLO C#CCOc1ccc(F)cc1NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001445027938 1058358350 /nfs/dbraw/zinc/35/83/50/1058358350.db2.gz ILTJJIIHQZKEEG-UHFFFAOYSA-N 1 2 351.337 2.981 20 30 FFEDLO C=CC[N@@H+](C)CCN(CC)C(=O)c1cc(Br)c(F)cc1O ZINC001448879870 1058835710 /nfs/dbraw/zinc/83/57/10/1058835710.db2.gz ATKNZZFFSWLEMS-UHFFFAOYSA-N 1 2 359.239 2.874 20 30 FFEDLO C=CC[N@H+](C)CCN(CC)C(=O)c1cc(Br)c(F)cc1O ZINC001448879870 1058835734 /nfs/dbraw/zinc/83/57/34/1058835734.db2.gz ATKNZZFFSWLEMS-UHFFFAOYSA-N 1 2 359.239 2.874 20 30 FFEDLO COCC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001503678030 1059081355 /nfs/dbraw/zinc/08/13/55/1059081355.db2.gz MHLPNOGIBBEVRX-SYYKKAFVSA-N 1 2 352.478 2.542 20 30 FFEDLO COCC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001503678030 1059081375 /nfs/dbraw/zinc/08/13/75/1059081375.db2.gz MHLPNOGIBBEVRX-SYYKKAFVSA-N 1 2 352.478 2.542 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC(OCC2CC2)CC1 ZINC001515032171 1059240956 /nfs/dbraw/zinc/24/09/56/1059240956.db2.gz RXYQPNXJWJCYIE-UHFFFAOYSA-N 1 2 370.501 2.574 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2CCCc2ccccc2)CC1 ZINC001300701441 1059410481 /nfs/dbraw/zinc/41/04/81/1059410481.db2.gz TZPBPEMYJZISEH-UHFFFAOYSA-N 1 2 365.525 2.865 20 30 FFEDLO C=CCN(C)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1Cc1cccs1 ZINC001515218416 1059439021 /nfs/dbraw/zinc/43/90/21/1059439021.db2.gz UUWCDVKWCJIAKI-INIZCTEOSA-N 1 2 361.515 2.792 20 30 FFEDLO C=CCN(C)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1Cc1cccs1 ZINC001515218416 1059439028 /nfs/dbraw/zinc/43/90/28/1059439028.db2.gz UUWCDVKWCJIAKI-INIZCTEOSA-N 1 2 361.515 2.792 20 30 FFEDLO N#Cc1cccc(NC2CN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)c1 ZINC001454246170 1059468259 /nfs/dbraw/zinc/46/82/59/1059468259.db2.gz LLLTXGDJVAWEMK-UHFFFAOYSA-N 1 2 357.417 2.740 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC001520326490 1059614184 /nfs/dbraw/zinc/61/41/84/1059614184.db2.gz XHLRFYIVYJWAKY-UHFFFAOYSA-N 1 2 371.485 2.801 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001507549430 1059634940 /nfs/dbraw/zinc/63/49/40/1059634940.db2.gz ZEJZPILNZORAKJ-IXDOHACOSA-N 1 2 368.485 2.670 20 30 FFEDLO C=CCCC(=O)NCCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001515393080 1059638980 /nfs/dbraw/zinc/63/89/80/1059638980.db2.gz UTEFMIDPLRTFLG-CRAIPNDOSA-N 1 2 360.502 2.750 20 30 FFEDLO C#CCN(CC#C)c1nnc(C2CC2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001507652726 1059671932 /nfs/dbraw/zinc/67/19/32/1059671932.db2.gz KWLQTWJKHPWURS-UHFFFAOYSA-N 1 2 374.423 2.601 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 ZINC001507720947 1059700963 /nfs/dbraw/zinc/70/09/63/1059700963.db2.gz HCECAVIOPKURJV-QYZOEREBSA-N 1 2 371.529 2.528 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2C[C@H](C)Cc2cccs2)CC1 ZINC001507730563 1059702349 /nfs/dbraw/zinc/70/23/49/1059702349.db2.gz SZRDCFNFUFMLEB-MRXNPFEDSA-N 1 2 357.527 2.536 20 30 FFEDLO COc1ccc(CN(C)c2nnc(C3CC[NH+](CCC#N)CC3)n2C)cc1 ZINC001355480781 1060276169 /nfs/dbraw/zinc/27/61/69/1060276169.db2.gz ROUWJXPFRODLFV-UHFFFAOYSA-N 1 2 368.485 2.553 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC001511329515 1060330728 /nfs/dbraw/zinc/33/07/28/1060330728.db2.gz ZNYHMVJWSRDRKW-ODEMNLNRSA-N 1 2 370.497 2.755 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC001511329515 1060330747 /nfs/dbraw/zinc/33/07/47/1060330747.db2.gz ZNYHMVJWSRDRKW-ODEMNLNRSA-N 1 2 370.497 2.755 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC=C(CCNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001512553602 1060599368 /nfs/dbraw/zinc/59/93/68/1060599368.db2.gz VHFIZIKYWFNICA-IAGOWNOFSA-N 1 2 368.481 2.535 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC=C(CCNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001512553602 1060599379 /nfs/dbraw/zinc/59/93/79/1060599379.db2.gz VHFIZIKYWFNICA-IAGOWNOFSA-N 1 2 368.481 2.535 20 30 FFEDLO C=C(C)Cn1c(N2CCC(C(C)C)CC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001355959226 1060764852 /nfs/dbraw/zinc/76/48/52/1060764852.db2.gz YJHLZECLICXHRS-PXNSSMCTSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CCC(C(C)C)CC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001355959226 1060764864 /nfs/dbraw/zinc/76/48/64/1060764864.db2.gz YJHLZECLICXHRS-PXNSSMCTSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)[C@H]1CCC[C@H](C)C1 ZINC001355969252 1060771107 /nfs/dbraw/zinc/77/11/07/1060771107.db2.gz QKSTYWHYPPHHPN-WMZOPIPTSA-N 1 2 361.534 2.683 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000939839404 1061460355 /nfs/dbraw/zinc/46/03/55/1061460355.db2.gz BREAUPWFXLKPQI-CRAIPNDOSA-N 1 2 366.465 2.661 20 30 FFEDLO N#Cc1ccc(Cn2cc(NC(=O)NCCCCn3cc[nH+]c3)cn2)cc1 ZINC001477003368 1061542369 /nfs/dbraw/zinc/54/23/69/1061542369.db2.gz XMPFQENDEVBBFK-UHFFFAOYSA-N 1 2 363.425 2.601 20 30 FFEDLO N#Cc1cccc(C2([NH2+]Cc3n[nH]cc3Br)CCOCC2)c1 ZINC001462439330 1061623754 /nfs/dbraw/zinc/62/37/54/1061623754.db2.gz NXJBOFRNBOQLRL-UHFFFAOYSA-N 1 2 361.243 2.839 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cccc2[nH+]ccn21 ZINC001522201134 1061715467 /nfs/dbraw/zinc/71/54/67/1061715467.db2.gz YPSJJAUYXOHLPR-NCOADZHNSA-N 1 2 366.465 2.798 20 30 FFEDLO C=CC[C@@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC001477962003 1061852522 /nfs/dbraw/zinc/85/25/22/1061852522.db2.gz DZGAFVOCAOVFCI-UXHICEINSA-N 1 2 357.498 2.538 20 30 FFEDLO N#Cc1cccc(-n2ccc(C(=O)N3CCC(Cc4c[nH]c[nH+]4)CC3)n2)c1 ZINC001522428753 1062170989 /nfs/dbraw/zinc/17/09/89/1062170989.db2.gz ZDEPVISZCWJIBH-UHFFFAOYSA-N 1 2 360.421 2.562 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CCCC(C)=O)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001479629348 1062651294 /nfs/dbraw/zinc/65/12/94/1062651294.db2.gz XJKPOZMWZIBIGF-VQTJNVASSA-N 1 2 358.457 2.906 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CCCC(C)=O)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001479629348 1062651305 /nfs/dbraw/zinc/65/13/05/1062651305.db2.gz XJKPOZMWZIBIGF-VQTJNVASSA-N 1 2 358.457 2.906 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(F)cc2)[C@@H]1C ZINC001479707880 1062857940 /nfs/dbraw/zinc/85/79/40/1062857940.db2.gz OJHQCAXTTSNPMY-PBHICJAKSA-N 1 2 361.461 2.946 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(F)cc2)[C@@H]1C ZINC001479707880 1062857951 /nfs/dbraw/zinc/85/79/51/1062857951.db2.gz OJHQCAXTTSNPMY-PBHICJAKSA-N 1 2 361.461 2.946 20 30 FFEDLO C#CCN(CC)c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1C[C@@H]1CCCO1 ZINC001525148121 1063170597 /nfs/dbraw/zinc/17/05/97/1063170597.db2.gz UWWQAIXZXQOZKL-ZWKOTPCHSA-N 1 2 370.501 2.749 20 30 FFEDLO CN(c1nnc([C@H]2CCCC[N@@H+]2C)n1C[C@H]1CCCO1)[C@@H]1CCC[C@@H]1C#N ZINC001525295360 1063239581 /nfs/dbraw/zinc/23/95/81/1063239581.db2.gz XFRWTPKXPKILLL-BRSBDYLESA-N 1 2 372.517 2.742 20 30 FFEDLO CN(c1nnc([C@H]2CCCC[N@H+]2C)n1C[C@H]1CCCO1)[C@@H]1CCC[C@@H]1C#N ZINC001525295360 1063239600 /nfs/dbraw/zinc/23/96/00/1063239600.db2.gz XFRWTPKXPKILLL-BRSBDYLESA-N 1 2 372.517 2.742 20 30 FFEDLO CC[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001495421891 1063495138 /nfs/dbraw/zinc/49/51/38/1063495138.db2.gz RIHCHVCFHNDACC-IAGOWNOFSA-N 1 2 374.533 2.642 20 30 FFEDLO C=C[C@@H](C)ONC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001470680741 1064410592 /nfs/dbraw/zinc/41/05/92/1064410592.db2.gz XGEFVTZJTJWREL-CYBMUJFWSA-N 1 2 373.375 2.919 20 30 FFEDLO C=CCC[C@@H](C)[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H](C)SC)CC1 ZINC001575087348 1078104578 /nfs/dbraw/zinc/10/45/78/1078104578.db2.gz DPZZMIJSTXHOCD-HUUCEWRRSA-N 1 2 365.547 2.704 20 30 FFEDLO C[C@@H](C[NH+]1CCN(c2ccc(F)cc2C#N)CC1)NC(=O)OC(C)(C)C ZINC001473725197 1065334994 /nfs/dbraw/zinc/33/49/94/1065334994.db2.gz BHJCDOKTXYQMBC-AWEZNQCLSA-N 1 2 362.449 2.733 20 30 FFEDLO COC(=O)c1ccc(OC)c2c1CC[N@H+](Cc1ccc(C#N)c(OC)c1)C2 ZINC001474691373 1065580972 /nfs/dbraw/zinc/58/09/72/1065580972.db2.gz KGHHYIOUIIGGKI-UHFFFAOYSA-N 1 2 366.417 2.920 20 30 FFEDLO COC(=O)c1ccc(OC)c2c1CC[N@@H+](Cc1ccc(C#N)c(OC)c1)C2 ZINC001474691373 1065580978 /nfs/dbraw/zinc/58/09/78/1065580978.db2.gz KGHHYIOUIIGGKI-UHFFFAOYSA-N 1 2 366.417 2.920 20 30 FFEDLO CN(C)c1ccc(Cn2c(C3CC3)nnc2N(CCC#N)CC2CC2)c[nH+]1 ZINC001552822692 1075154275 /nfs/dbraw/zinc/15/42/75/1075154275.db2.gz LAZDRBYRJBJWTR-UHFFFAOYSA-N 1 2 365.485 2.795 20 30 FFEDLO C=C(C)c1cccc(NC(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)c1 ZINC001553122138 1075233489 /nfs/dbraw/zinc/23/34/89/1075233489.db2.gz DWFIWTHUKHEDPN-YJBOKZPZSA-N 1 2 353.426 2.595 20 30 FFEDLO C#C[C@H](NC(=O)c1cccn1CC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC001556907306 1075787810 /nfs/dbraw/zinc/78/78/10/1075787810.db2.gz LTFYTBKXKOQMDW-SFHVURJKSA-N 1 2 371.868 2.578 20 30 FFEDLO C=CCOc1ccc(/C=C/C(=O)N[C@H](CC)C[NH+]2CCOCC2)cc1OC ZINC001558422409 1076001439 /nfs/dbraw/zinc/00/14/39/1076001439.db2.gz CUQXECORQXPXBT-PDFOZTTASA-N 1 2 374.481 2.500 20 30 FFEDLO CC(C)(C)OC(=O)C[NH+]1CCC(Nc2ncc(C#N)cc2Cl)CC1 ZINC001559259637 1076140788 /nfs/dbraw/zinc/14/07/88/1076140788.db2.gz FWCKZFDUKLMKPQ-UHFFFAOYSA-N 1 2 350.850 2.825 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3ccc4c(c3)CCCO4)CC2)c1C#N ZINC001560862531 1076304832 /nfs/dbraw/zinc/30/48/32/1076304832.db2.gz QFXVEZWJONIRAT-UHFFFAOYSA-N 1 2 354.479 2.970 20 30 FFEDLO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)c(C#N)c1 ZINC001561385142 1076370425 /nfs/dbraw/zinc/37/04/25/1076370425.db2.gz JWEJAYKRKFIUEN-MJGOQNOKSA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c(C#N)c1 ZINC001561385142 1076370428 /nfs/dbraw/zinc/37/04/28/1076370428.db2.gz JWEJAYKRKFIUEN-MJGOQNOKSA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)c(C#N)c1 ZINC001561385141 1076370505 /nfs/dbraw/zinc/37/05/05/1076370505.db2.gz JWEJAYKRKFIUEN-IEBWSBKVSA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c(C#N)c1 ZINC001561385141 1076370508 /nfs/dbraw/zinc/37/05/08/1076370508.db2.gz JWEJAYKRKFIUEN-IEBWSBKVSA-N 1 2 373.453 2.730 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnon4)CC[C@@H]3C2)CCCCC1 ZINC001566054102 1076881884 /nfs/dbraw/zinc/88/18/84/1076881884.db2.gz MPGJUUHZLVDEIC-SJORKVTESA-N 1 2 358.486 2.877 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@H+](Cc4cnon4)CC[C@@H]3C2)CCCCC1 ZINC001566054102 1076881889 /nfs/dbraw/zinc/88/18/89/1076881889.db2.gz MPGJUUHZLVDEIC-SJORKVTESA-N 1 2 358.486 2.877 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](C)Cc1nc(C)c(C(C)(C)C)s1 ZINC001567305112 1077013728 /nfs/dbraw/zinc/01/37/28/1077013728.db2.gz MCXOSHJJJHGYTC-CABCVRRESA-N 1 2 365.543 2.888 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](C)Cc1nc(C)c(C(C)(C)C)s1 ZINC001567305112 1077013732 /nfs/dbraw/zinc/01/37/32/1077013732.db2.gz MCXOSHJJJHGYTC-CABCVRRESA-N 1 2 365.543 2.888 20 30 FFEDLO Cc1nc(NCc2cccc(C(=O)NCc3ccnc(C#N)c3)c2)cc[nH+]1 ZINC001568546235 1077100791 /nfs/dbraw/zinc/10/07/91/1077100791.db2.gz LRKPLFKSVAOKAT-UHFFFAOYSA-N 1 2 358.405 2.594 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001569900583 1077171146 /nfs/dbraw/zinc/17/11/46/1077171146.db2.gz TXDQJLBHTWNHFH-NLWGTHIKSA-N 1 2 362.901 2.794 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001569900583 1077171148 /nfs/dbraw/zinc/17/11/48/1077171148.db2.gz TXDQJLBHTWNHFH-NLWGTHIKSA-N 1 2 362.901 2.794 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001572893634 1077412256 /nfs/dbraw/zinc/41/22/56/1077412256.db2.gz VCJKWSCXMFNPCG-BRWVUGGUSA-N 1 2 358.486 2.544 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588628374 1080127647 /nfs/dbraw/zinc/12/76/47/1080127647.db2.gz WOYGCXOVUVYQKT-UHFFFAOYSA-N 1 2 366.400 2.633 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1cccc(F)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588628374 1080127651 /nfs/dbraw/zinc/12/76/51/1080127651.db2.gz WOYGCXOVUVYQKT-UHFFFAOYSA-N 1 2 366.400 2.633 20 30 FFEDLO C=CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1Br)[C@H](C)COC ZINC001588635109 1080130894 /nfs/dbraw/zinc/13/08/94/1080130894.db2.gz DDLGNOBEQGRRPL-LLVKDONJSA-N 1 2 366.263 2.652 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1Br)[C@H](C)COC ZINC001588635109 1080130900 /nfs/dbraw/zinc/13/09/00/1080130900.db2.gz DDLGNOBEQGRRPL-LLVKDONJSA-N 1 2 366.263 2.652 20 30 FFEDLO C=C(C)CN(CC)c1nnc(CC)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001589663315 1080656974 /nfs/dbraw/zinc/65/69/74/1080656974.db2.gz KYHLPPDRXPKLSY-UHFFFAOYSA-N 1 2 370.501 2.523 20 30 FFEDLO COc1cccc([C@@H](NC(=O)c2cc(C#N)oc2C)c2[nH+]ccn2C)c1 ZINC000366625183 512113563 /nfs/dbraw/zinc/11/35/63/512113563.db2.gz SKALBWYTPASMGX-QGZVFWFLSA-N 1 2 350.378 2.721 20 30 FFEDLO C=CCOc1ccc(Br)cc1N[C@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423170016 514067898 /nfs/dbraw/zinc/06/78/98/514067898.db2.gz LAKLTWBXWMIBSU-SWLSCSKDSA-N 1 2 369.259 2.719 20 30 FFEDLO N#Cc1cc(F)ccc1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000097472617 250065108 /nfs/dbraw/zinc/06/51/08/250065108.db2.gz NJRPGCQHBALIEX-UHFFFAOYSA-N 1 2 368.412 2.851 20 30 FFEDLO CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000101913290 250093399 /nfs/dbraw/zinc/09/33/99/250093399.db2.gz DMABUAFUXZFOFO-HOCLYGCPSA-N 1 2 374.485 2.723 20 30 FFEDLO CCCC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000101913290 250093403 /nfs/dbraw/zinc/09/34/03/250093403.db2.gz DMABUAFUXZFOFO-HOCLYGCPSA-N 1 2 374.485 2.723 20 30 FFEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)c2ccccc2C1 ZINC000103498002 250157475 /nfs/dbraw/zinc/15/74/75/250157475.db2.gz SIDRXXKQGUALKC-UHFFFAOYSA-N 1 2 361.854 2.852 20 30 FFEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)c2ccccc2C1 ZINC000103498002 250157479 /nfs/dbraw/zinc/15/74/79/250157479.db2.gz SIDRXXKQGUALKC-UHFFFAOYSA-N 1 2 361.854 2.852 20 30 FFEDLO CC(C)c1[nH+]c2c(n1C)CCN([C@@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000106372790 250265071 /nfs/dbraw/zinc/26/50/71/250265071.db2.gz BRMDFZMNOFPINR-AWEZNQCLSA-N 1 2 351.454 2.800 20 30 FFEDLO Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000118390516 250385906 /nfs/dbraw/zinc/38/59/06/250385906.db2.gz WYQCDDAFXQPSBR-KRWDZBQOSA-N 1 2 369.490 2.934 20 30 FFEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153020078 251091827 /nfs/dbraw/zinc/09/18/27/251091827.db2.gz MXSCTJNXZKNFSS-YLJYHZDGSA-N 1 2 364.449 2.752 20 30 FFEDLO CC[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCN1CC(F)F ZINC000153480708 251142715 /nfs/dbraw/zinc/14/27/15/251142715.db2.gz SXSSYBWWLUFGPA-HNNXBMFYSA-N 1 2 361.396 2.770 20 30 FFEDLO CC[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCN1CC(F)F ZINC000153480708 251142720 /nfs/dbraw/zinc/14/27/20/251142720.db2.gz SXSSYBWWLUFGPA-HNNXBMFYSA-N 1 2 361.396 2.770 20 30 FFEDLO Cn1cc(C[N@H+](C)Cc2ncc(Cl)n2C)c(-c2ccc(C#N)cc2)n1 ZINC000181146579 251248220 /nfs/dbraw/zinc/24/82/20/251248220.db2.gz NFYZTLTWOXBTTF-UHFFFAOYSA-N 1 2 354.845 2.978 20 30 FFEDLO Cn1cc(C[N@@H+](C)Cc2ncc(Cl)n2C)c(-c2ccc(C#N)cc2)n1 ZINC000181146579 251248223 /nfs/dbraw/zinc/24/82/23/251248223.db2.gz NFYZTLTWOXBTTF-UHFFFAOYSA-N 1 2 354.845 2.978 20 30 FFEDLO C[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nccs1 ZINC000273502124 252319299 /nfs/dbraw/zinc/31/92/99/252319299.db2.gz MVYPZNIKNSEYEL-HNNXBMFYSA-N 1 2 369.494 2.646 20 30 FFEDLO N#Cc1ccc(N2CCC(C(=O)NCCNc3cccc[nH+]3)CC2)c(F)c1 ZINC000287060826 257069628 /nfs/dbraw/zinc/06/96/28/257069628.db2.gz KRDJAVPFTLLUSE-UHFFFAOYSA-N 1 2 367.428 2.537 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H](C3CC3)C(F)(F)F)CC2)cc1 ZINC000288510020 257198065 /nfs/dbraw/zinc/19/80/65/257198065.db2.gz XZWKNSKTSABHOC-MRXNPFEDSA-N 1 2 366.387 2.726 20 30 FFEDLO COCC[N@H+](Cc1cnc(C2OCCO2)s1)Cc1ccc(C#N)cc1 ZINC000288979835 257243077 /nfs/dbraw/zinc/24/30/77/257243077.db2.gz CKIZBGOSYYOUOP-UHFFFAOYSA-N 1 2 359.451 2.709 20 30 FFEDLO COCC[N@@H+](Cc1cnc(C2OCCO2)s1)Cc1ccc(C#N)cc1 ZINC000288979835 257243078 /nfs/dbraw/zinc/24/30/78/257243078.db2.gz CKIZBGOSYYOUOP-UHFFFAOYSA-N 1 2 359.451 2.709 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000301103999 258025310 /nfs/dbraw/zinc/02/53/10/258025310.db2.gz PBRAUTWIDSVOQA-HNNXBMFYSA-N 1 2 352.413 2.847 20 30 FFEDLO CC1(C)C[NH+]=C(N2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)S1 ZINC000301581316 258056961 /nfs/dbraw/zinc/05/69/61/258056961.db2.gz SOYXTZXDZCORAP-UHFFFAOYSA-N 1 2 369.416 2.975 20 30 FFEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000331874219 258203943 /nfs/dbraw/zinc/20/39/43/258203943.db2.gz NUPKEZDPBUPTNG-AWEZNQCLSA-N 1 2 360.889 2.781 20 30 FFEDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000332310866 258224604 /nfs/dbraw/zinc/22/46/04/258224604.db2.gz HUBHVNLZTWAGAV-UHFFFAOYSA-N 1 2 364.858 2.565 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)c1C#N ZINC000332455524 258231019 /nfs/dbraw/zinc/23/10/19/258231019.db2.gz OEVXSNVWWGOIGD-UHFFFAOYSA-N 1 2 357.439 2.862 20 30 FFEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000411143616 512488273 /nfs/dbraw/zinc/48/82/73/512488273.db2.gz ZCPTZLSCGHXEJU-GFCCVEGCSA-N 1 2 369.918 2.515 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000411143616 512488281 /nfs/dbraw/zinc/48/82/81/512488281.db2.gz ZCPTZLSCGHXEJU-GFCCVEGCSA-N 1 2 369.918 2.515 20 30 FFEDLO COc1ccc([C@H](NC(=O)c2ccc(C#N)c(C)n2)c2[nH+]ccn2C)cc1 ZINC000032301605 506240488 /nfs/dbraw/zinc/24/04/88/506240488.db2.gz RCNJKRXUCDDKEX-SFHVURJKSA-N 1 2 361.405 2.523 20 30 FFEDLO CCOc1ccccc1N1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000032830928 506301293 /nfs/dbraw/zinc/30/12/93/506301293.db2.gz ZFRLILMLAYSSHZ-UTKZUKDTSA-N 1 2 372.513 2.650 20 30 FFEDLO C=CC[C@H](CO)NC(=O)c1ccc(OCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000410075467 512198250 /nfs/dbraw/zinc/19/82/50/512198250.db2.gz QYWCBSYGGAOOQE-QGZVFWFLSA-N 1 2 365.433 2.889 20 30 FFEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000375254062 512233354 /nfs/dbraw/zinc/23/33/54/512233354.db2.gz IAUYVWUUDSEYJA-IFXJQAMLSA-N 1 2 354.454 2.901 20 30 FFEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000375254062 512233361 /nfs/dbraw/zinc/23/33/61/512233361.db2.gz IAUYVWUUDSEYJA-IFXJQAMLSA-N 1 2 354.454 2.901 20 30 FFEDLO C=CCNC(=O)[C@@H](C)Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000007318537 506553071 /nfs/dbraw/zinc/55/30/71/506553071.db2.gz DDMQUFGKXSGVSJ-OAHLLOKOSA-N 1 2 371.510 2.646 20 30 FFEDLO Cc1noc(C2CC[NH+](CC(=O)N(CCC#N)c3ccccc3)CC2)n1 ZINC000054679305 506602177 /nfs/dbraw/zinc/60/21/77/506602177.db2.gz AFNOWKPWRRYFEM-UHFFFAOYSA-N 1 2 353.426 2.504 20 30 FFEDLO C=CCn1c2ccccc2nc1S[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000043461759 506745435 /nfs/dbraw/zinc/74/54/35/506745435.db2.gz RNEMELVXYCQYAE-HNNXBMFYSA-N 1 2 358.511 2.867 20 30 FFEDLO Cc1cc(C)cc(C[NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000067446099 506884269 /nfs/dbraw/zinc/88/42/69/506884269.db2.gz GLZGFIXJSQSUSS-UHFFFAOYSA-N 1 2 369.490 2.682 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cc1 ZINC000056075454 506926178 /nfs/dbraw/zinc/92/61/78/506926178.db2.gz RANWWXLOJGNSER-UHFFFAOYSA-N 1 2 370.478 2.812 20 30 FFEDLO COc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000013048538 506926701 /nfs/dbraw/zinc/92/67/01/506926701.db2.gz PUCGAKPYOZHJDA-UHFFFAOYSA-N 1 2 350.422 2.917 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000045314096 506949054 /nfs/dbraw/zinc/94/90/54/506949054.db2.gz COMNRGDBUPRXPE-UHFFFAOYSA-N 1 2 370.403 2.593 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC000016638917 507100377 /nfs/dbraw/zinc/10/03/77/507100377.db2.gz FCKCROCOGORIMJ-UHFFFAOYSA-N 1 2 353.422 2.617 20 30 FFEDLO CO/N=C/c1ccc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC000057273853 507225404 /nfs/dbraw/zinc/22/54/04/507225404.db2.gz KMFIXAYXYJHXNS-PXLXIMEGSA-N 1 2 366.465 2.667 20 30 FFEDLO N#Cc1cc(Cl)ccc1N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000068428367 507227431 /nfs/dbraw/zinc/22/74/31/507227431.db2.gz SDJWYWSJOAPXHN-UHFFFAOYSA-N 1 2 360.889 2.736 20 30 FFEDLO C#CCC[NH+]1CCN(c2ncc(C(=O)N3CCCCC3)cc2Cl)CC1 ZINC000068693575 507301622 /nfs/dbraw/zinc/30/16/22/507301622.db2.gz PLZMPUHFQHWOBI-UHFFFAOYSA-N 1 2 360.889 2.506 20 30 FFEDLO C[C@H]1Cc2ccccc2N1C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781830 507308945 /nfs/dbraw/zinc/30/89/45/507308945.db2.gz KVHGPJLMQFTOCT-SFHVURJKSA-N 1 2 374.488 2.654 20 30 FFEDLO CN1CC[NH+](C[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000068910656 507358377 /nfs/dbraw/zinc/35/83/77/507358377.db2.gz IRHOCLHFEBUPLI-LJQANCHMSA-N 1 2 365.437 2.867 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000025390854 507496818 /nfs/dbraw/zinc/49/68/18/507496818.db2.gz MZQGKXUARVBISJ-QFIPXVFZSA-N 1 2 366.461 2.954 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000025390854 507496822 /nfs/dbraw/zinc/49/68/22/507496822.db2.gz MZQGKXUARVBISJ-QFIPXVFZSA-N 1 2 366.461 2.954 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000027287518 507644556 /nfs/dbraw/zinc/64/45/56/507644556.db2.gz OJMOUIKCJVMKRI-UHFFFAOYSA-N 1 2 362.433 2.521 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000027287518 507644559 /nfs/dbraw/zinc/64/45/59/507644559.db2.gz OJMOUIKCJVMKRI-UHFFFAOYSA-N 1 2 362.433 2.521 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000028694805 507738376 /nfs/dbraw/zinc/73/83/76/507738376.db2.gz KZVDDEBGPQXYSZ-INIZCTEOSA-N 1 2 360.417 2.887 20 30 FFEDLO N#Cc1ccccc1NC(=O)CCN1CC[NH+](Cc2ccsc2)CC1 ZINC000028890285 507747424 /nfs/dbraw/zinc/74/74/24/507747424.db2.gz UHPWWXNMZBHPEQ-UHFFFAOYSA-N 1 2 354.479 2.766 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029444357 507778006 /nfs/dbraw/zinc/77/80/06/507778006.db2.gz DFVWEMXNSNPHDK-AWEZNQCLSA-N 1 2 369.856 2.756 20 30 FFEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1C ZINC000029448925 507778468 /nfs/dbraw/zinc/77/84/68/507778468.db2.gz ZUYAJEHPYFPLDY-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO CC[N@@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)C[C@H](C)C#N ZINC000064249086 507787733 /nfs/dbraw/zinc/78/77/33/507787733.db2.gz FAKRZJXRJDLMNN-CYBMUJFWSA-N 1 2 357.376 2.725 20 30 FFEDLO CC[N@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)C[C@H](C)C#N ZINC000064249086 507787734 /nfs/dbraw/zinc/78/77/34/507787734.db2.gz FAKRZJXRJDLMNN-CYBMUJFWSA-N 1 2 357.376 2.725 20 30 FFEDLO CC(C)CN(CC(C)C)C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029856670 507792750 /nfs/dbraw/zinc/79/27/50/507792750.db2.gz ZUZOCWWSUBVOII-UHFFFAOYSA-N 1 2 374.504 2.960 20 30 FFEDLO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029856912 507792794 /nfs/dbraw/zinc/79/27/94/507792794.db2.gz RBHBCJUVDJKMDG-MRXNPFEDSA-N 1 2 366.440 2.524 20 30 FFEDLO C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029859902 507793952 /nfs/dbraw/zinc/79/39/52/507793952.db2.gz BEPLDBKCZLJRFO-AQFXKWCLSA-N 1 2 372.488 2.903 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000052636134 507816500 /nfs/dbraw/zinc/81/65/00/507816500.db2.gz UIYXPADDLUFKTP-CQSZACIVSA-N 1 2 368.403 2.588 20 30 FFEDLO Cc1cccc([C@@H](C)[NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000072558083 507823699 /nfs/dbraw/zinc/82/36/99/507823699.db2.gz LOGMVCFKRIKGRZ-QGZVFWFLSA-N 1 2 369.490 2.934 20 30 FFEDLO CC(C)CCN(CCC#N)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000072691223 507843116 /nfs/dbraw/zinc/84/31/16/507843116.db2.gz NEUALLDZWCUHFR-UHFFFAOYSA-N 1 2 372.513 2.719 20 30 FFEDLO CCN(C(=O)[C@@H](C)[NH+]1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000078256094 507851502 /nfs/dbraw/zinc/85/15/02/507851502.db2.gz OUOHLWBCKNVPQH-QGZVFWFLSA-N 1 2 363.465 2.517 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)CC ZINC000078709130 507899393 /nfs/dbraw/zinc/89/93/93/507899393.db2.gz GJQNVZBUZZYGMX-INIZCTEOSA-N 1 2 370.497 2.948 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)CC ZINC000078709130 507899395 /nfs/dbraw/zinc/89/93/95/507899395.db2.gz GJQNVZBUZZYGMX-INIZCTEOSA-N 1 2 370.497 2.948 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000109028961 507933071 /nfs/dbraw/zinc/93/30/71/507933071.db2.gz NGTFYKWQPDKQNK-GJZGRUSLSA-N 1 2 362.499 2.923 20 30 FFEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCN(c3ncccc3C#N)CC2)c1 ZINC000073647686 507942519 /nfs/dbraw/zinc/94/25/19/507942519.db2.gz IZGWLRSRLZODSI-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCc3n[nH]cc3C2)c1 ZINC000091078187 507950925 /nfs/dbraw/zinc/95/09/25/507950925.db2.gz FFGSGCBQMAICCD-MRXNPFEDSA-N 1 2 351.454 2.720 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCc3n[nH]cc3C2)c1 ZINC000091078187 507950927 /nfs/dbraw/zinc/95/09/27/507950927.db2.gz FFGSGCBQMAICCD-MRXNPFEDSA-N 1 2 351.454 2.720 20 30 FFEDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000092042452 508036587 /nfs/dbraw/zinc/03/65/87/508036587.db2.gz LIDPKUADGFMCJY-HRAATJIYSA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000092042452 508036590 /nfs/dbraw/zinc/03/65/90/508036590.db2.gz LIDPKUADGFMCJY-HRAATJIYSA-N 1 2 352.434 2.719 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OC)c(OCCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361498 508065046 /nfs/dbraw/zinc/06/50/46/508065046.db2.gz YNMOWNFWASDVMK-MRXNPFEDSA-N 1 2 353.484 2.659 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OC)c(OCCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361498 508065049 /nfs/dbraw/zinc/06/50/49/508065049.db2.gz YNMOWNFWASDVMK-MRXNPFEDSA-N 1 2 353.484 2.659 20 30 FFEDLO C=CCOc1ccccc1CNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000111450623 508099872 /nfs/dbraw/zinc/09/98/72/508099872.db2.gz FCWFSAKWNXSXDY-UHFFFAOYSA-N 1 2 363.421 2.832 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CC(=O)NCC2CCCCC2)CC1 ZINC000080908150 508111176 /nfs/dbraw/zinc/11/11/76/508111176.db2.gz NUUNQOKNFNSGDT-FQEVSTJZSA-N 1 2 354.498 2.565 20 30 FFEDLO CCOC(=O)C[N@@H+]1CCCN(c2c(C#N)cnc3c(C)cc(C)cc32)CC1 ZINC000081004674 508123618 /nfs/dbraw/zinc/12/36/18/508123618.db2.gz UNQGDPBECSWMGZ-UHFFFAOYSA-N 1 2 366.465 2.799 20 30 FFEDLO CCOC(=O)C[N@H+]1CCCN(c2c(C#N)cnc3c(C)cc(C)cc32)CC1 ZINC000081004674 508123620 /nfs/dbraw/zinc/12/36/20/508123620.db2.gz UNQGDPBECSWMGZ-UHFFFAOYSA-N 1 2 366.465 2.799 20 30 FFEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000075863233 508139293 /nfs/dbraw/zinc/13/92/93/508139293.db2.gz QSLFTHQMTLAPAS-FOIQADDNSA-N 1 2 374.916 2.827 20 30 FFEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000081484373 508180675 /nfs/dbraw/zinc/18/06/75/508180675.db2.gz AUHHTBSPIYSODO-GOSISDBHSA-N 1 2 355.369 2.759 20 30 FFEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000081484373 508180677 /nfs/dbraw/zinc/18/06/77/508180677.db2.gz AUHHTBSPIYSODO-GOSISDBHSA-N 1 2 355.369 2.759 20 30 FFEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(C#N)cn1C ZINC000081550606 508188350 /nfs/dbraw/zinc/18/83/50/508188350.db2.gz UBNSUYANZLNQGV-UHFFFAOYSA-N 1 2 351.454 2.670 20 30 FFEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cc(C#N)cn3C)CC2)cc1 ZINC000081567811 508191050 /nfs/dbraw/zinc/19/10/50/508191050.db2.gz DMYYTUIXUGLUAF-UHFFFAOYSA-N 1 2 350.466 2.978 20 30 FFEDLO CC(=O)N(C)C1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000112544066 508194390 /nfs/dbraw/zinc/19/43/90/508194390.db2.gz PQLAPWASSIBWGS-UHFFFAOYSA-N 1 2 366.465 2.680 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)NCC#Cc2ccccc2)CC1 ZINC000076551988 508222609 /nfs/dbraw/zinc/22/26/09/508222609.db2.gz BFQPUCDAYRPJLY-UHFFFAOYSA-N 1 2 363.461 2.574 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)C[C@@H](C)C#N ZINC000098134180 508236942 /nfs/dbraw/zinc/23/69/42/508236942.db2.gz ALGTYDTWCYSVAI-DOTOQJQBSA-N 1 2 359.470 2.849 20 30 FFEDLO CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)C[C@@H](C)C#N ZINC000098134180 508236943 /nfs/dbraw/zinc/23/69/43/508236943.db2.gz ALGTYDTWCYSVAI-DOTOQJQBSA-N 1 2 359.470 2.849 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000098150379 508237478 /nfs/dbraw/zinc/23/74/78/508237478.db2.gz ACDMUPGKEUBSBT-IBGZPJMESA-N 1 2 353.426 2.580 20 30 FFEDLO CN1CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc21 ZINC000083170562 508239109 /nfs/dbraw/zinc/23/91/09/508239109.db2.gz VQCCHNXMLMQLCQ-QGZVFWFLSA-N 1 2 352.463 2.677 20 30 FFEDLO CN1CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc21 ZINC000083170562 508239111 /nfs/dbraw/zinc/23/91/11/508239111.db2.gz VQCCHNXMLMQLCQ-QGZVFWFLSA-N 1 2 352.463 2.677 20 30 FFEDLO CCOC(=O)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000101546853 508244110 /nfs/dbraw/zinc/24/41/10/508244110.db2.gz AVDDYOTYXNEWDC-LBPRGKRZSA-N 1 2 363.483 2.568 20 30 FFEDLO CCOC(=O)C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000101546853 508244112 /nfs/dbraw/zinc/24/41/12/508244112.db2.gz AVDDYOTYXNEWDC-LBPRGKRZSA-N 1 2 363.483 2.568 20 30 FFEDLO COC(=O)c1ccc([C@@H](C)[NH+]2CCN(c3ccc(C#N)cc3F)CC2)o1 ZINC000101558297 508246066 /nfs/dbraw/zinc/24/60/66/508246066.db2.gz HEGIRKJQJCNJDK-CYBMUJFWSA-N 1 2 357.385 2.960 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(C#N)cc1 ZINC000076835928 508257156 /nfs/dbraw/zinc/25/71/56/508257156.db2.gz WKNGMGFHPYXGAX-SFHVURJKSA-N 1 2 363.461 2.921 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cc(C#N)cs1 ZINC000084095943 508265554 /nfs/dbraw/zinc/26/55/54/508265554.db2.gz RZTXMTQTRQENHR-MRXNPFEDSA-N 1 2 369.490 2.983 20 30 FFEDLO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(C#N)c(SC)[nH]c1=O)C(C)C ZINC000084926525 508297296 /nfs/dbraw/zinc/29/72/96/508297296.db2.gz BZANNSQEADTSCS-INIZCTEOSA-N 1 2 374.510 2.809 20 30 FFEDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3ccc(C#N)cc3[N+](=O)[O-])c2cc1C ZINC000084926179 508297620 /nfs/dbraw/zinc/29/76/20/508297620.db2.gz DMJHGDOWHQWJNW-OAHLLOKOSA-N 1 2 366.377 2.873 20 30 FFEDLO CC(C)(C)[C@H](C#N)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000085438877 508309217 /nfs/dbraw/zinc/30/92/17/508309217.db2.gz KCWQJKMTLSZAQH-INIZCTEOSA-N 1 2 353.426 2.580 20 30 FFEDLO N#CCCCCS(=O)(=O)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000077473974 508321223 /nfs/dbraw/zinc/32/12/23/508321223.db2.gz WFEBCRCILGLIJR-UHFFFAOYSA-N 1 2 356.245 2.705 20 30 FFEDLO Cc1cccc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1C#N ZINC000156360273 508407941 /nfs/dbraw/zinc/40/79/41/508407941.db2.gz INUANNZAOKFQJW-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO Cc1cccc(S(=O)(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1C#N ZINC000156426425 508419557 /nfs/dbraw/zinc/41/95/57/508419557.db2.gz VMAXNRVBHKBRCM-UHFFFAOYSA-N 1 2 366.446 2.590 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157628196 508589727 /nfs/dbraw/zinc/58/97/27/508589727.db2.gz GXSQAZFILOPDKK-JXFKEZNVSA-N 1 2 359.445 2.775 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157628196 508589730 /nfs/dbraw/zinc/58/97/30/508589730.db2.gz GXSQAZFILOPDKK-JXFKEZNVSA-N 1 2 359.445 2.775 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000153581766 508602418 /nfs/dbraw/zinc/60/24/18/508602418.db2.gz PFKUJHURBVRAOR-UHFFFAOYSA-N 1 2 365.437 2.942 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000153581766 508602421 /nfs/dbraw/zinc/60/24/21/508602421.db2.gz PFKUJHURBVRAOR-UHFFFAOYSA-N 1 2 365.437 2.942 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1C#N ZINC000157803081 508614063 /nfs/dbraw/zinc/61/40/63/508614063.db2.gz YOYSGZXWKRZSAF-UHFFFAOYSA-N 1 2 360.458 2.578 20 30 FFEDLO C=CCNc1ncc(C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)s1 ZINC000128606255 508617522 /nfs/dbraw/zinc/61/75/22/508617522.db2.gz HOMINTQUIRRMHE-UHFFFAOYSA-N 1 2 372.494 2.708 20 30 FFEDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000135607147 508631218 /nfs/dbraw/zinc/63/12/18/508631218.db2.gz BBSOKBFSGCNUDI-INIZCTEOSA-N 1 2 357.845 2.893 20 30 FFEDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000135607147 508631221 /nfs/dbraw/zinc/63/12/21/508631221.db2.gz BBSOKBFSGCNUDI-INIZCTEOSA-N 1 2 357.845 2.893 20 30 FFEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1Cl ZINC000153712941 508632669 /nfs/dbraw/zinc/63/26/69/508632669.db2.gz BVBZWAFRJDRELJ-GOSISDBHSA-N 1 2 369.852 2.842 20 30 FFEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1Cl ZINC000153712941 508632674 /nfs/dbraw/zinc/63/26/74/508632674.db2.gz BVBZWAFRJDRELJ-GOSISDBHSA-N 1 2 369.852 2.842 20 30 FFEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000154308310 508757172 /nfs/dbraw/zinc/75/71/72/508757172.db2.gz KIAOLZROQXTWQR-STQMWFEESA-N 1 2 363.401 2.690 20 30 FFEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000154308310 508757176 /nfs/dbraw/zinc/75/71/76/508757176.db2.gz KIAOLZROQXTWQR-STQMWFEESA-N 1 2 363.401 2.690 20 30 FFEDLO Cc1[nH+]c2ccc(C(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)cc2n1C ZINC000373596175 512417165 /nfs/dbraw/zinc/41/71/65/512417165.db2.gz UGVLJWXRSRNOJY-HXUWFJFHSA-N 1 2 360.417 2.967 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000154634501 508823242 /nfs/dbraw/zinc/82/32/42/508823242.db2.gz BKTOWXMIHUXJCM-SFHVURJKSA-N 1 2 370.497 2.734 20 30 FFEDLO C=C(C)COCCNC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000119647246 508836445 /nfs/dbraw/zinc/83/64/45/508836445.db2.gz QJAIJSKGJGNYQK-UHFFFAOYSA-N 1 2 369.465 2.866 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000144312624 508837281 /nfs/dbraw/zinc/83/72/81/508837281.db2.gz GNNZJBZDUJHYPW-AWEZNQCLSA-N 1 2 364.380 2.967 20 30 FFEDLO C=CCOc1cc(OC)ccc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000124936353 508907472 /nfs/dbraw/zinc/90/74/72/508907472.db2.gz GZTBDDCBUBGFSX-UHFFFAOYSA-N 1 2 355.438 2.765 20 30 FFEDLO C[C@@H](c1ccc(C#N)cc1)n1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000369478598 512429816 /nfs/dbraw/zinc/42/98/16/512429816.db2.gz KRSQDRXPAWEEBK-OXJNMPFZSA-N 1 2 374.448 2.728 20 30 FFEDLO C[C@@H](c1ccc(C#N)cc1)n1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000369478598 512429823 /nfs/dbraw/zinc/42/98/23/512429823.db2.gz KRSQDRXPAWEEBK-OXJNMPFZSA-N 1 2 374.448 2.728 20 30 FFEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000151276487 508991280 /nfs/dbraw/zinc/99/12/80/508991280.db2.gz QWFCNSJFGMLCEL-LRDDRELGSA-N 1 2 364.858 2.680 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](CC)CC(=O)Nc1ccccc1OC ZINC000132935199 509093627 /nfs/dbraw/zinc/09/36/27/509093627.db2.gz WHMMUIDUSLTHFA-INIZCTEOSA-N 1 2 361.486 2.769 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](CC)CC(=O)Nc1ccccc1OC ZINC000132935199 509093631 /nfs/dbraw/zinc/09/36/31/509093631.db2.gz WHMMUIDUSLTHFA-INIZCTEOSA-N 1 2 361.486 2.769 20 30 FFEDLO COc1ccc(C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)cc1C#N ZINC000121044186 509116832 /nfs/dbraw/zinc/11/68/32/509116832.db2.gz ZAIGDAIRZBUSNA-CQSZACIVSA-N 1 2 367.413 2.612 20 30 FFEDLO CC(C)(C)[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1nc(-c2nc[nH]n2)no1 ZINC000121058600 509119431 /nfs/dbraw/zinc/11/94/31/509119431.db2.gz QZGWILSNDWTUCE-CYBMUJFWSA-N 1 2 355.377 2.742 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000121401210 509172134 /nfs/dbraw/zinc/17/21/34/509172134.db2.gz UZFUTJQOANUFKV-NBGIEHNGSA-N 1 2 353.491 2.677 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3ccco3)C2)c(OC)c1 ZINC000121457591 509174923 /nfs/dbraw/zinc/17/49/23/509174923.db2.gz YZKNGCXKPDECRO-UWJYYQICSA-N 1 2 373.449 2.830 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3ccco3)C2)c(OC)c1 ZINC000121457591 509174924 /nfs/dbraw/zinc/17/49/24/509174924.db2.gz YZKNGCXKPDECRO-UWJYYQICSA-N 1 2 373.449 2.830 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000263898115 509215820 /nfs/dbraw/zinc/21/58/20/509215820.db2.gz YCZZNMXSMNVSIQ-AWEZNQCLSA-N 1 2 357.454 2.939 20 30 FFEDLO C[C@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000216593744 509261814 /nfs/dbraw/zinc/26/18/14/509261814.db2.gz ZIMSNURUPWIRQM-QFBILLFUSA-N 1 2 372.488 2.856 20 30 FFEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162735093 509289662 /nfs/dbraw/zinc/28/96/62/509289662.db2.gz PNQLFPUNBKKDEF-UHFFFAOYSA-N 1 2 361.405 2.825 20 30 FFEDLO C=CC[C@@H](CO)NC(=O)c1ccccc1OCc1cn2cc(C)ccc2[nH+]1 ZINC000185779622 509351944 /nfs/dbraw/zinc/35/19/44/509351944.db2.gz KTPCHXRVOSQHCR-INIZCTEOSA-N 1 2 365.433 2.889 20 30 FFEDLO CC(C)CCOC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000176210646 509380235 /nfs/dbraw/zinc/38/02/35/509380235.db2.gz HIYUKUICPUNGAM-UHFFFAOYSA-N 1 2 364.511 2.859 20 30 FFEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)NC[C@@H](C)C#N)CC1 ZINC000182794163 509429869 /nfs/dbraw/zinc/42/98/69/509429869.db2.gz RMTATBIWUDTZSY-SUMWQHHRSA-N 1 2 350.413 2.903 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@]3(C2)OCc2ccccc23)C1=O ZINC000248771762 509479812 /nfs/dbraw/zinc/47/98/12/509479812.db2.gz VTAASBYCJISXQR-PXNSSMCTSA-N 1 2 365.458 2.856 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@]3(C2)OCc2ccccc23)C1=O ZINC000248771762 509479817 /nfs/dbraw/zinc/47/98/17/509479817.db2.gz VTAASBYCJISXQR-PXNSSMCTSA-N 1 2 365.458 2.856 20 30 FFEDLO COc1cccc(OCCN2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000164520628 509511864 /nfs/dbraw/zinc/51/18/64/509511864.db2.gz ZVVSDSGEVUIRHM-UHFFFAOYSA-N 1 2 351.450 2.763 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)Nc1ccn(CCC#N)n1 ZINC000173365813 509555052 /nfs/dbraw/zinc/55/50/52/509555052.db2.gz TYWXQBVZMJCDTN-UHFFFAOYSA-N 1 2 351.414 2.667 20 30 FFEDLO COc1cc(C(N)=[NH+]OCc2noc(C(C)(C)C)n2)cc(Cl)c1OC ZINC000264541218 509590591 /nfs/dbraw/zinc/59/05/91/509590591.db2.gz PQQOJXKBVCOBFC-UHFFFAOYSA-N 1 2 368.821 2.875 20 30 FFEDLO CCO[C@H](C)c1noc(CN2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000186282225 509621796 /nfs/dbraw/zinc/62/17/96/509621796.db2.gz NGMNKXNGBKQPCS-JKSUJKDBSA-N 1 2 369.469 2.918 20 30 FFEDLO Cc1cc(N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)nc[nH+]1 ZINC000167477369 509630982 /nfs/dbraw/zinc/63/09/82/509630982.db2.gz SUWBRDFZXHAHTQ-MRXNPFEDSA-N 1 2 372.270 2.934 20 30 FFEDLO CCC[N@H+](CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000186315668 509641311 /nfs/dbraw/zinc/64/13/11/509641311.db2.gz NITYPCREYFRSRQ-HNNXBMFYSA-N 1 2 351.491 2.771 20 30 FFEDLO CCC[N@@H+](CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000186315668 509641317 /nfs/dbraw/zinc/64/13/17/509641317.db2.gz NITYPCREYFRSRQ-HNNXBMFYSA-N 1 2 351.491 2.771 20 30 FFEDLO C=CCc1cc(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)cc(OC)c1O ZINC000267908810 509665586 /nfs/dbraw/zinc/66/55/86/509665586.db2.gz CJZINZJFBMVJOO-MRXNPFEDSA-N 1 2 359.447 2.748 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c1C#N ZINC000249553607 509709919 /nfs/dbraw/zinc/70/99/19/509709919.db2.gz IYIZZHFUIDWDKG-IFXJQAMLSA-N 1 2 366.465 2.607 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c1C#N ZINC000249553607 509709921 /nfs/dbraw/zinc/70/99/21/509709921.db2.gz IYIZZHFUIDWDKG-IFXJQAMLSA-N 1 2 366.465 2.607 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000268013124 509717782 /nfs/dbraw/zinc/71/77/82/509717782.db2.gz ABDBTQRBHYDXPS-LBPRGKRZSA-N 1 2 350.831 2.503 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)cc1 ZINC000264897697 509762807 /nfs/dbraw/zinc/76/28/07/509762807.db2.gz AWQKDMHFHAYNAK-KBPBESRZSA-N 1 2 371.437 2.607 20 30 FFEDLO Cc1nc(C)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000268114540 509764339 /nfs/dbraw/zinc/76/43/39/509764339.db2.gz HPRYCPNRWCSWAW-UHFFFAOYSA-N 1 2 355.467 2.981 20 30 FFEDLO C[C@@H](O)CN1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000193127106 509791039 /nfs/dbraw/zinc/79/10/39/509791039.db2.gz VVIXKSVELUGXJY-HXUWFJFHSA-N 1 2 363.505 2.885 20 30 FFEDLO Cc1cccc([C@@H](CNC(=O)c2cccc(F)c2C#N)[NH+]2CCOCC2)c1 ZINC000186680001 509847961 /nfs/dbraw/zinc/84/79/61/509847961.db2.gz SQBGGOJKEZIYEM-HXUWFJFHSA-N 1 2 367.424 2.809 20 30 FFEDLO C=CCCCCC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000193295096 509854703 /nfs/dbraw/zinc/85/47/03/509854703.db2.gz LGWUIIWJYGJQLY-UHFFFAOYSA-N 1 2 367.471 2.648 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)cc1 ZINC000189974829 509862936 /nfs/dbraw/zinc/86/29/36/509862936.db2.gz QOMJHWQHAUYDFS-UHFFFAOYSA-N 1 2 365.433 2.621 20 30 FFEDLO C#CCOc1ccccc1C[NH2+]Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000265171318 509900820 /nfs/dbraw/zinc/90/08/20/509900820.db2.gz JBNRRUCYXLENMS-UHFFFAOYSA-N 1 2 355.463 2.960 20 30 FFEDLO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000245429372 509924980 /nfs/dbraw/zinc/92/49/80/509924980.db2.gz NBXWJATWNPLZMI-MISYRCLQSA-N 1 2 354.498 2.564 20 30 FFEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]O[C@H](C)c3nc(C4CC4)no3)cn2)n1 ZINC000174134079 509963949 /nfs/dbraw/zinc/96/39/49/509963949.db2.gz ZEXFNMCTHIQSCW-GFCCVEGCSA-N 1 2 367.413 2.543 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000245531393 509985065 /nfs/dbraw/zinc/98/50/65/509985065.db2.gz HDWLGRXPXCAMLS-QZTJIDSGSA-N 1 2 367.453 2.824 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000245531393 509985075 /nfs/dbraw/zinc/98/50/75/509985075.db2.gz HDWLGRXPXCAMLS-QZTJIDSGSA-N 1 2 367.453 2.824 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000187017832 510008055 /nfs/dbraw/zinc/00/80/55/510008055.db2.gz VESNRZYBJYYBKD-QGZVFWFLSA-N 1 2 360.461 2.890 20 30 FFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171225147 510018888 /nfs/dbraw/zinc/01/88/88/510018888.db2.gz PYFVRYPIXVFBKI-UHFFFAOYSA-N 1 2 358.486 2.591 20 30 FFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171225147 510018895 /nfs/dbraw/zinc/01/88/95/510018895.db2.gz PYFVRYPIXVFBKI-UHFFFAOYSA-N 1 2 358.486 2.591 20 30 FFEDLO Cc1nc(N2CCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)cc[nH+]1 ZINC000184012254 510087566 /nfs/dbraw/zinc/08/75/66/510087566.db2.gz ANHHNHQYTYOLOJ-UHFFFAOYSA-N 1 2 366.375 2.810 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccccc1OCC#N)c1cccc(F)c1 ZINC000194136347 510233439 /nfs/dbraw/zinc/23/34/39/510233439.db2.gz DQCAMNGFXFYYPU-SFHVURJKSA-N 1 2 364.380 2.981 20 30 FFEDLO C[C@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000265821659 510247987 /nfs/dbraw/zinc/24/79/87/510247987.db2.gz IKYRATNMNIYZPD-WMLDXEAASA-N 1 2 372.469 2.732 20 30 FFEDLO C[C@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000265821659 510247992 /nfs/dbraw/zinc/24/79/92/510247992.db2.gz IKYRATNMNIYZPD-WMLDXEAASA-N 1 2 372.469 2.732 20 30 FFEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000184349711 510276710 /nfs/dbraw/zinc/27/67/10/510276710.db2.gz WGNYPUWHXSIRLL-DLBZAZTESA-N 1 2 372.469 2.696 20 30 FFEDLO COc1cc(OC)cc([C@@H]([NH2+]Cc2cc(C#N)n(C)c2)c2nccn2C)c1 ZINC000190739002 510318638 /nfs/dbraw/zinc/31/86/38/510318638.db2.gz WNJBFYVRWLKQCM-LJQANCHMSA-N 1 2 365.437 2.527 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)cn1 ZINC000177929606 510331703 /nfs/dbraw/zinc/33/17/03/510331703.db2.gz MSTLFUTVZFOYIW-UHFFFAOYSA-N 1 2 367.434 2.830 20 30 FFEDLO Cc1cnn([C@@H]2CCC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)c1 ZINC000246406316 510470532 /nfs/dbraw/zinc/47/05/32/510470532.db2.gz JSOIZQVOILNUSN-CVEARBPZSA-N 1 2 355.467 2.567 20 30 FFEDLO Cc1cnn([C@@H]2CCC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)c1 ZINC000246406316 510470538 /nfs/dbraw/zinc/47/05/38/510470538.db2.gz JSOIZQVOILNUSN-CVEARBPZSA-N 1 2 355.467 2.567 20 30 FFEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000191089204 510498154 /nfs/dbraw/zinc/49/81/54/510498154.db2.gz IIFRLXZBFHPIEG-UHFFFAOYSA-N 1 2 356.470 2.870 20 30 FFEDLO C=CC[N@H+](CCOC)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000191089204 510498159 /nfs/dbraw/zinc/49/81/59/510498159.db2.gz IIFRLXZBFHPIEG-UHFFFAOYSA-N 1 2 356.470 2.870 20 30 FFEDLO COc1ccc([C@@H]([NH2+]CC(=O)NCC#N)c2ccccc2Cl)c(C)c1 ZINC000175135847 510498623 /nfs/dbraw/zinc/49/86/23/510498623.db2.gz BQMQMBYYYLEGBB-LJQANCHMSA-N 1 2 357.841 2.976 20 30 FFEDLO Cn1cc(C#N)cc1C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000181761637 510577984 /nfs/dbraw/zinc/57/79/84/510577984.db2.gz PSRRWYQYMKKZIU-UHFFFAOYSA-N 1 2 359.433 2.534 20 30 FFEDLO CC1CCN(C(=O)C2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)CC1 ZINC000172174774 510582782 /nfs/dbraw/zinc/58/27/82/510582782.db2.gz JFTDOXNDQIFRRJ-UHFFFAOYSA-N 1 2 374.510 2.529 20 30 FFEDLO N#CCCn1ccc(NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)n1 ZINC000266486292 510617289 /nfs/dbraw/zinc/61/72/89/510617289.db2.gz ZOPOGZKNXRERQK-UHFFFAOYSA-N 1 2 353.430 2.504 20 30 FFEDLO C=C(C)[C@H](CC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)OCC ZINC000270014783 510639958 /nfs/dbraw/zinc/63/99/58/510639958.db2.gz GYBXWDPPMDYSIJ-IBGZPJMESA-N 1 2 373.497 2.577 20 30 FFEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@H]2C)nnc1-c1ccccc1OC ZINC000188248363 510668453 /nfs/dbraw/zinc/66/84/53/510668453.db2.gz NTTBPGBSFWOZMC-OAHLLOKOSA-N 1 2 374.510 2.953 20 30 FFEDLO C=CCn1c(SCC[N@H+]2CCOC[C@H]2C)nnc1-c1ccccc1OC ZINC000188248363 510668457 /nfs/dbraw/zinc/66/84/57/510668457.db2.gz NTTBPGBSFWOZMC-OAHLLOKOSA-N 1 2 374.510 2.953 20 30 FFEDLO C=C(C)[C@@H](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1)OCC ZINC000270143619 510692422 /nfs/dbraw/zinc/69/24/22/510692422.db2.gz SRQXSSQFZUNLPX-JKSUJKDBSA-N 1 2 352.500 2.609 20 30 FFEDLO C#Cc1cccc(NC(=O)CNC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)c1 ZINC000172415341 510715955 /nfs/dbraw/zinc/71/59/55/510715955.db2.gz JJQSSTLUKMIQFA-UHFFFAOYSA-N 1 2 373.416 2.829 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1O ZINC000188381527 510740232 /nfs/dbraw/zinc/74/02/32/510740232.db2.gz PMQAEWOMUZBUNU-HNNXBMFYSA-N 1 2 371.387 2.936 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1O ZINC000188381527 510740235 /nfs/dbraw/zinc/74/02/35/510740235.db2.gz PMQAEWOMUZBUNU-HNNXBMFYSA-N 1 2 371.387 2.936 20 30 FFEDLO C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000182119538 510767154 /nfs/dbraw/zinc/76/71/54/510767154.db2.gz KALOGQKQTRZQHP-OXQOHEQNSA-N 1 2 365.433 2.817 20 30 FFEDLO C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000182119538 510767159 /nfs/dbraw/zinc/76/71/59/510767159.db2.gz KALOGQKQTRZQHP-OXQOHEQNSA-N 1 2 365.433 2.817 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000178834943 510796438 /nfs/dbraw/zinc/79/64/38/510796438.db2.gz XWMONUVWVKJHEQ-JSGCOSHPSA-N 1 2 361.442 2.759 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000178834943 510796444 /nfs/dbraw/zinc/79/64/44/510796444.db2.gz XWMONUVWVKJHEQ-JSGCOSHPSA-N 1 2 361.442 2.759 20 30 FFEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H]1CCCCC1(C)C ZINC000329923762 510878431 /nfs/dbraw/zinc/87/84/31/510878431.db2.gz UPOQPPVQIXASSM-HRCADAONSA-N 1 2 365.497 2.805 20 30 FFEDLO Cc1ccn2cc(CNC(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)nc2c1 ZINC000329936504 510881055 /nfs/dbraw/zinc/88/10/55/510881055.db2.gz DDYIQJUZJCLBPM-DOTOQJQBSA-N 1 2 352.442 2.836 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCCO3)[C@H]1c1ccc(F)c(F)c1 ZINC000329932845 510881567 /nfs/dbraw/zinc/88/15/67/510881567.db2.gz BDGVBRNHHJSSGF-WMLDXEAASA-N 1 2 362.380 2.694 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCCO3)[C@H]1c1ccc(F)c(F)c1 ZINC000329932845 510881571 /nfs/dbraw/zinc/88/15/71/510881571.db2.gz BDGVBRNHHJSSGF-WMLDXEAASA-N 1 2 362.380 2.694 20 30 FFEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1)C1CCOCC1 ZINC000329960125 510886506 /nfs/dbraw/zinc/88/65/06/510886506.db2.gz QXXDWIDNRHKSTQ-KRWDZBQOSA-N 1 2 366.531 2.688 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)Nc1cc(C)ccn1 ZINC000329960348 510887420 /nfs/dbraw/zinc/88/74/20/510887420.db2.gz RAKKDDOPDFVQLP-GJZGRUSLSA-N 1 2 361.421 2.933 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)Nc1cc(C)ccn1 ZINC000329960348 510887427 /nfs/dbraw/zinc/88/74/27/510887427.db2.gz RAKKDDOPDFVQLP-GJZGRUSLSA-N 1 2 361.421 2.933 20 30 FFEDLO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)N[C@H]1CCCOCC1 ZINC000329978012 510892740 /nfs/dbraw/zinc/89/27/40/510892740.db2.gz GTOUNJNJJPNLQX-KKUMJFAQSA-N 1 2 355.479 2.733 20 30 FFEDLO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)N[C@H]1CCCOCC1 ZINC000329978012 510892744 /nfs/dbraw/zinc/89/27/44/510892744.db2.gz GTOUNJNJJPNLQX-KKUMJFAQSA-N 1 2 355.479 2.733 20 30 FFEDLO O=C(NC1CCC(C(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1)C1CC1 ZINC000329983716 510893936 /nfs/dbraw/zinc/89/39/36/510893936.db2.gz BLRCVSYRINMDHH-UHFFFAOYSA-N 1 2 370.497 2.651 20 30 FFEDLO C[C@H](NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C1CCOCC1 ZINC000329988530 510894961 /nfs/dbraw/zinc/89/49/61/510894961.db2.gz UIXFBXVMKMTXBE-BPUTZDHNSA-N 1 2 369.506 2.979 20 30 FFEDLO C[C@H](NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C1CCOCC1 ZINC000329988530 510894968 /nfs/dbraw/zinc/89/49/68/510894968.db2.gz UIXFBXVMKMTXBE-BPUTZDHNSA-N 1 2 369.506 2.979 20 30 FFEDLO CCN1CCN(C(=O)NCCc2ccc(C)cc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329998155 510897313 /nfs/dbraw/zinc/89/73/13/510897313.db2.gz RVDXZLFXTQCXSW-GOSISDBHSA-N 1 2 355.486 2.862 20 30 FFEDLO CC(C)n1ncc2c1C[C@@H](NC(=O)N1CCCC13CC[NH+](C)CC3)CC2 ZINC000330044371 510905363 /nfs/dbraw/zinc/90/53/63/510905363.db2.gz HRDFUFAXMJISMC-KRWDZBQOSA-N 1 2 359.518 2.796 20 30 FFEDLO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1cn([C@@H]2CCOC2)nn1 ZINC000330049206 510906813 /nfs/dbraw/zinc/90/68/13/510906813.db2.gz JEEXRKKHHPWFHQ-CQSZACIVSA-N 1 2 366.425 2.952 20 30 FFEDLO Cc1cc(NC(=O)c2cn([C@@H]3CCOC3)nn2)c[nH+]c1N1CCCC[C@H]1C ZINC000330055280 510907440 /nfs/dbraw/zinc/90/74/40/510907440.db2.gz UCQMMNMZPHVARE-GDBMZVCRSA-N 1 2 370.457 2.958 20 30 FFEDLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330103517 510916958 /nfs/dbraw/zinc/91/69/58/510916958.db2.gz GWYLPHZGFOJQKI-CLCXKQKWSA-N 1 2 350.434 2.941 20 30 FFEDLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330103517 510916961 /nfs/dbraw/zinc/91/69/61/510916961.db2.gz GWYLPHZGFOJQKI-CLCXKQKWSA-N 1 2 350.434 2.941 20 30 FFEDLO Cc1noc([C@H]2CCCC[N@@H+]2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000285463038 510917016 /nfs/dbraw/zinc/91/70/16/510917016.db2.gz AIHPLXBRNQVPKU-MSOLQXFVSA-N 1 2 365.437 2.972 20 30 FFEDLO Cc1noc([C@H]2CCCC[N@H+]2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000285463038 510917021 /nfs/dbraw/zinc/91/70/21/510917021.db2.gz AIHPLXBRNQVPKU-MSOLQXFVSA-N 1 2 365.437 2.972 20 30 FFEDLO CCCCCCCCOCC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000276075460 510926396 /nfs/dbraw/zinc/92/63/96/510926396.db2.gz UZIIWWYJJVLERU-SFHVURJKSA-N 1 2 362.518 2.886 20 30 FFEDLO CCCCCCCCOCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000276075460 510926399 /nfs/dbraw/zinc/92/63/99/510926399.db2.gz UZIIWWYJJVLERU-SFHVURJKSA-N 1 2 362.518 2.886 20 30 FFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1 ZINC000330178295 510931415 /nfs/dbraw/zinc/93/14/15/510931415.db2.gz DPCNMZJKPLEKCD-GDBMZVCRSA-N 1 2 359.499 2.552 20 30 FFEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@@H]1SCCc2ccccc21 ZINC000330186517 510932092 /nfs/dbraw/zinc/93/20/92/510932092.db2.gz JVTXZBSXTKXWHG-KRWDZBQOSA-N 1 2 363.527 2.631 20 30 FFEDLO CC1(C)COCC[N@H+]1CCNC(=O)NC[C@@H]1SCCc2ccccc21 ZINC000330186517 510932096 /nfs/dbraw/zinc/93/20/96/510932096.db2.gz JVTXZBSXTKXWHG-KRWDZBQOSA-N 1 2 363.527 2.631 20 30 FFEDLO Cc1nsc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1C#N ZINC000297415730 510937102 /nfs/dbraw/zinc/93/71/02/510937102.db2.gz LVDSUEGBRNTSDL-CYBMUJFWSA-N 1 2 356.455 2.629 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2csc([C@H]3CCCO3)n2)CCO1 ZINC000330341374 510969698 /nfs/dbraw/zinc/96/96/98/510969698.db2.gz ZDMVEVICKMXYSU-DFBGVHRSSA-N 1 2 362.455 2.953 20 30 FFEDLO CO[C@@H](C)c1cccc(NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000330354727 510973054 /nfs/dbraw/zinc/97/30/54/510973054.db2.gz PTBWWEKAAQEQEI-WMLDXEAASA-N 1 2 357.458 2.662 20 30 FFEDLO CC(C)(C#N)CCCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000278219354 510985178 /nfs/dbraw/zinc/98/51/78/510985178.db2.gz UIBKAZWCDHZMCJ-UHFFFAOYSA-N 1 2 374.510 2.585 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000278261286 510986078 /nfs/dbraw/zinc/98/60/78/510986078.db2.gz ZEVSRHCOWZIFMM-OAHLLOKOSA-N 1 2 374.510 2.925 20 30 FFEDLO COc1cc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)ccc1C#N ZINC000282460390 510987551 /nfs/dbraw/zinc/98/75/51/510987551.db2.gz VOHHEYYTZXSVTD-VQTJNVASSA-N 1 2 352.434 2.891 20 30 FFEDLO COc1cc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)ccc1C#N ZINC000282460390 510987554 /nfs/dbraw/zinc/98/75/54/510987554.db2.gz VOHHEYYTZXSVTD-VQTJNVASSA-N 1 2 352.434 2.891 20 30 FFEDLO NC(=[NH+]OC[C@@H]1CCS(=O)(=O)C1)c1cccc(Oc2ccccc2)c1 ZINC000278788110 511007223 /nfs/dbraw/zinc/00/72/23/511007223.db2.gz ZXDQYGLKCPYNTD-AWEZNQCLSA-N 1 2 360.435 2.551 20 30 FFEDLO CCc1ccc2occ(C(=O)N(CCC#N)CC[NH+]3CCOCC3)c2c1 ZINC000285962509 511016524 /nfs/dbraw/zinc/01/65/24/511016524.db2.gz KTKBSXUNDKGYNM-UHFFFAOYSA-N 1 2 355.438 2.683 20 30 FFEDLO Cc1cc(NC(=O)NCCNC(=O)N(C)C)c[nH+]c1N1CCCC[C@@H]1C ZINC000330779610 511016936 /nfs/dbraw/zinc/01/69/36/511016936.db2.gz CYLHUSPIBJTMPK-AWEZNQCLSA-N 1 2 362.478 2.570 20 30 FFEDLO CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc3c[nH+]cn3c2)C1=O ZINC000286146750 511020056 /nfs/dbraw/zinc/02/00/56/511020056.db2.gz ZGMZSEMCFHMZAZ-IBGZPJMESA-N 1 2 371.441 2.650 20 30 FFEDLO CC(C)[C@H]1CN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CCS1 ZINC000330935046 511029626 /nfs/dbraw/zinc/02/96/26/511029626.db2.gz LJVATHODCLCJBW-LLVKDONJSA-N 1 2 350.410 2.933 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000287285288 511045918 /nfs/dbraw/zinc/04/59/18/511045918.db2.gz IGHCKIFQKZVFCN-HXUWFJFHSA-N 1 2 362.477 2.543 20 30 FFEDLO C[C@H](CCC#N)[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000297721399 511046928 /nfs/dbraw/zinc/04/69/28/511046928.db2.gz BLHINWJMMDLVKK-GFCCVEGCSA-N 1 2 361.920 2.790 20 30 FFEDLO C[C@H](CCC#N)[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000297721399 511046931 /nfs/dbraw/zinc/04/69/31/511046931.db2.gz BLHINWJMMDLVKK-GFCCVEGCSA-N 1 2 361.920 2.790 20 30 FFEDLO C[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000287524774 511051870 /nfs/dbraw/zinc/05/18/70/511051870.db2.gz VFHFVGCRNVAZCX-XEZPLFJOSA-N 1 2 369.387 2.866 20 30 FFEDLO C[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000287524774 511051875 /nfs/dbraw/zinc/05/18/75/511051875.db2.gz VFHFVGCRNVAZCX-XEZPLFJOSA-N 1 2 369.387 2.866 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332583723 511084776 /nfs/dbraw/zinc/08/47/76/511084776.db2.gz GVALAMASRMZBOC-HYVNUMGLSA-N 1 2 374.510 2.875 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332583723 511084783 /nfs/dbraw/zinc/08/47/83/511084783.db2.gz GVALAMASRMZBOC-HYVNUMGLSA-N 1 2 374.510 2.875 20 30 FFEDLO CC[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)[C@H](C)CS(C)(=O)=O ZINC000271179331 511110248 /nfs/dbraw/zinc/11/02/48/511110248.db2.gz LRNYECVULJJQIQ-OAHLLOKOSA-N 1 2 368.499 2.633 20 30 FFEDLO CC[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)[C@H](C)CS(C)(=O)=O ZINC000271179331 511110256 /nfs/dbraw/zinc/11/02/56/511110256.db2.gz LRNYECVULJJQIQ-OAHLLOKOSA-N 1 2 368.499 2.633 20 30 FFEDLO C=CCCCNC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000279574678 511132390 /nfs/dbraw/zinc/13/23/90/511132390.db2.gz OTUJUPFORQLSOI-KRWDZBQOSA-N 1 2 358.442 2.792 20 30 FFEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000298084061 511170071 /nfs/dbraw/zinc/17/00/71/511170071.db2.gz TULFITNQAFZXJL-GOSISDBHSA-N 1 2 366.465 2.721 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333228598 511182168 /nfs/dbraw/zinc/18/21/68/511182168.db2.gz XRBIIHZWDQOACC-MSOLQXFVSA-N 1 2 358.486 2.842 20 30 FFEDLO COC(=O)C(C)(C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000298293322 511238024 /nfs/dbraw/zinc/23/80/24/511238024.db2.gz XTAFNAIIGKDYEI-NSHDSACASA-N 1 2 363.483 2.614 20 30 FFEDLO COC(=O)c1oc([C@@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1C ZINC000271642376 511272872 /nfs/dbraw/zinc/27/28/72/511272872.db2.gz RQKQKEHILRHUHS-CQSZACIVSA-N 1 2 354.410 2.525 20 30 FFEDLO C#CCC[NH+]1CCN([C@@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)CC1 ZINC000271996986 511395784 /nfs/dbraw/zinc/39/57/84/511395784.db2.gz GLQSYLLACCFRSL-HNNXBMFYSA-N 1 2 367.449 2.603 20 30 FFEDLO C[C@@H]1CN(c2ccc(Nc3ncc(C#N)cc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000295638374 511468655 /nfs/dbraw/zinc/46/86/55/511468655.db2.gz XZOKPZVYCPPUHD-TXEJJXNPSA-N 1 2 354.370 2.614 20 30 FFEDLO CCS[C@@H](C)c1noc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292137754 511480107 /nfs/dbraw/zinc/48/01/07/511480107.db2.gz JGLGVPIAWNCFKW-GXTWGEPZSA-N 1 2 359.455 2.804 20 30 FFEDLO CCS[C@@H](C)c1noc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292137754 511480110 /nfs/dbraw/zinc/48/01/10/511480110.db2.gz JGLGVPIAWNCFKW-GXTWGEPZSA-N 1 2 359.455 2.804 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(/C=C/c3ccc(OCC#N)cc3)n2)C1 ZINC000272687862 511503684 /nfs/dbraw/zinc/50/36/84/511503684.db2.gz TUOPBBKVRXDHBB-ZGRWHYIRSA-N 1 2 354.410 2.924 20 30 FFEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(/C=C/c3ccc(OCC#N)cc3)n2)C1 ZINC000272687862 511503686 /nfs/dbraw/zinc/50/36/86/511503686.db2.gz TUOPBBKVRXDHBB-ZGRWHYIRSA-N 1 2 354.410 2.924 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1 ZINC000280543291 511503781 /nfs/dbraw/zinc/50/37/81/511503781.db2.gz PYVGMLALLOJMFO-BBTUJRGHSA-N 1 2 371.481 2.510 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1 ZINC000280543291 511503787 /nfs/dbraw/zinc/50/37/87/511503787.db2.gz PYVGMLALLOJMFO-BBTUJRGHSA-N 1 2 371.481 2.510 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cccc(Br)n3)C2)nc1 ZINC000292204862 511505794 /nfs/dbraw/zinc/50/57/94/511505794.db2.gz NZIZIKQBMXMZTH-AWEZNQCLSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cccc(Br)n3)C2)nc1 ZINC000292204862 511505795 /nfs/dbraw/zinc/50/57/95/511505795.db2.gz NZIZIKQBMXMZTH-AWEZNQCLSA-N 1 2 359.227 2.764 20 30 FFEDLO CCCC[C@H](ON=C(C)C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000273457220 511526472 /nfs/dbraw/zinc/52/64/72/511526472.db2.gz PXTKEBDZAQVGLV-KRWDZBQOSA-N 1 2 362.474 2.506 20 30 FFEDLO N#Cc1ccccc1COc1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000365729770 511624923 /nfs/dbraw/zinc/62/49/23/511624923.db2.gz NAUPRQIYKYAMJF-UHFFFAOYSA-N 1 2 358.401 2.990 20 30 FFEDLO Cc1ccc(Cc2noc(CCc3c(C)nc4c(C#N)cnn4c3C)n2)c[nH+]1 ZINC000273871499 511638772 /nfs/dbraw/zinc/63/87/72/511638772.db2.gz FWBIHZMAJJWSSO-UHFFFAOYSA-N 1 2 373.420 2.680 20 30 FFEDLO C=CCOc1ccc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)cc1OC ZINC000273888420 511643628 /nfs/dbraw/zinc/64/36/28/511643628.db2.gz OGJFYQVMZLIZKM-QGZVFWFLSA-N 1 2 357.410 2.846 20 30 FFEDLO C=CCOc1ccc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)cc1OC ZINC000273888420 511643636 /nfs/dbraw/zinc/64/36/36/511643636.db2.gz OGJFYQVMZLIZKM-QGZVFWFLSA-N 1 2 357.410 2.846 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280978525 511675620 /nfs/dbraw/zinc/67/56/20/511675620.db2.gz LBRGOJDDEPVYFR-KRWDZBQOSA-N 1 2 370.840 2.836 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280978525 511675627 /nfs/dbraw/zinc/67/56/27/511675627.db2.gz LBRGOJDDEPVYFR-KRWDZBQOSA-N 1 2 370.840 2.836 20 30 FFEDLO C=CCN1CC[C@@H](Sc2[nH+]cnc3c2cnn3Cc2ccccc2)C1=O ZINC000281069911 511709455 /nfs/dbraw/zinc/70/94/55/511709455.db2.gz VJRDGENIJUDMCL-MRXNPFEDSA-N 1 2 365.462 2.754 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000303540089 511741405 /nfs/dbraw/zinc/74/14/05/511741405.db2.gz JJTXSOMTWZKXCB-GOSISDBHSA-N 1 2 355.463 2.544 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000303540089 511741411 /nfs/dbraw/zinc/74/14/11/511741411.db2.gz JJTXSOMTWZKXCB-GOSISDBHSA-N 1 2 355.463 2.544 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)c2nc(-c3ccc(OC)cc3)no2)C1=O ZINC000281275851 511785073 /nfs/dbraw/zinc/78/50/73/511785073.db2.gz IFRQNPZQKHSIBH-CJNGLKHVSA-N 1 2 356.426 2.525 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2nc(-c3ccc(OC)cc3)no2)C1=O ZINC000281275851 511785079 /nfs/dbraw/zinc/78/50/79/511785079.db2.gz IFRQNPZQKHSIBH-CJNGLKHVSA-N 1 2 356.426 2.525 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000281528629 511879196 /nfs/dbraw/zinc/87/91/96/511879196.db2.gz LJEWLAUQASTPEA-PXNSSMCTSA-N 1 2 373.497 2.504 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@@H]1[C@@H]3CCO[C@@H]3C13CCC3)C2 ZINC000328675903 511913328 /nfs/dbraw/zinc/91/33/28/511913328.db2.gz LAMBMBLIGOVGNG-ZZCKCESHSA-N 1 2 372.513 2.957 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@@H]1[C@@H]3CCO[C@@H]3C13CCC3)C2 ZINC000328675903 511913333 /nfs/dbraw/zinc/91/33/33/511913333.db2.gz LAMBMBLIGOVGNG-ZZCKCESHSA-N 1 2 372.513 2.957 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@@H]1[C@@H]3CCO[C@H]3C13CCC3)C2 ZINC000328675902 511913709 /nfs/dbraw/zinc/91/37/09/511913709.db2.gz LAMBMBLIGOVGNG-LBTBCDHLSA-N 1 2 372.513 2.957 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@@H]1[C@@H]3CCO[C@H]3C13CCC3)C2 ZINC000328675902 511913715 /nfs/dbraw/zinc/91/37/15/511913715.db2.gz LAMBMBLIGOVGNG-LBTBCDHLSA-N 1 2 372.513 2.957 20 30 FFEDLO Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328726852 511921686 /nfs/dbraw/zinc/92/16/86/511921686.db2.gz ZWYBWBVMTQMJCN-RBUKOAKNSA-N 1 2 370.428 2.756 20 30 FFEDLO Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328726852 511921690 /nfs/dbraw/zinc/92/16/90/511921690.db2.gz ZWYBWBVMTQMJCN-RBUKOAKNSA-N 1 2 370.428 2.756 20 30 FFEDLO Cn1cc2c(n1)CCC[C@@H]2NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000328802913 511933938 /nfs/dbraw/zinc/93/39/38/511933938.db2.gz MOJUWNWQTFZSCS-AWEZNQCLSA-N 1 2 358.833 2.802 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)C1=O ZINC000328816619 511934904 /nfs/dbraw/zinc/93/49/04/511934904.db2.gz NXNGOJFDZHBQBZ-SJORKVTESA-N 1 2 357.502 2.819 20 30 FFEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)C1=O ZINC000328816619 511934911 /nfs/dbraw/zinc/93/49/11/511934911.db2.gz NXNGOJFDZHBQBZ-SJORKVTESA-N 1 2 357.502 2.819 20 30 FFEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000281719438 511943640 /nfs/dbraw/zinc/94/36/40/511943640.db2.gz JGRKNEKBVONENT-IEBWSBKVSA-N 1 2 358.486 2.852 20 30 FFEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000328978055 511959764 /nfs/dbraw/zinc/95/97/64/511959764.db2.gz QQPOZXCJLYNQEJ-BZUAXINKSA-N 1 2 362.426 2.519 20 30 FFEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000328978055 511959772 /nfs/dbraw/zinc/95/97/72/511959772.db2.gz QQPOZXCJLYNQEJ-BZUAXINKSA-N 1 2 362.426 2.519 20 30 FFEDLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+]2CCN3C(=O)CC[C@H]3C2)c(C)c1 ZINC000329014261 511966643 /nfs/dbraw/zinc/96/66/43/511966643.db2.gz FSCOFZUCVOQIGR-CABCVRRESA-N 1 2 358.442 2.501 20 30 FFEDLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+]2CCN3C(=O)CC[C@H]3C2)c(C)c1 ZINC000329014261 511966650 /nfs/dbraw/zinc/96/66/50/511966650.db2.gz FSCOFZUCVOQIGR-CABCVRRESA-N 1 2 358.442 2.501 20 30 FFEDLO CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000329067811 511977287 /nfs/dbraw/zinc/97/72/87/511977287.db2.gz MECRJGRTVYBHBD-HXUWFJFHSA-N 1 2 362.470 2.812 20 30 FFEDLO CC(C)Oc1cccc(CNC(=O)C[N@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000329067811 511977288 /nfs/dbraw/zinc/97/72/88/511977288.db2.gz MECRJGRTVYBHBD-HXUWFJFHSA-N 1 2 362.470 2.812 20 30 FFEDLO CS(=O)(=O)C[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000293479941 511980247 /nfs/dbraw/zinc/98/02/47/511980247.db2.gz YBXOXAUQBXXSKJ-HNNXBMFYSA-N 1 2 359.413 2.814 20 30 FFEDLO CS(=O)(=O)C[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000293479941 511980253 /nfs/dbraw/zinc/98/02/53/511980253.db2.gz YBXOXAUQBXXSKJ-HNNXBMFYSA-N 1 2 359.413 2.814 20 30 FFEDLO Cc1c(-c2cc(C[N@@H+]3CCO[C@H](c4cccc(C#N)c4)C3)on2)cnn1C ZINC000364153508 511986492 /nfs/dbraw/zinc/98/64/92/511986492.db2.gz NONPEJLULRLFRD-FQEVSTJZSA-N 1 2 363.421 2.829 20 30 FFEDLO Cc1c(-c2cc(C[N@H+]3CCO[C@H](c4cccc(C#N)c4)C3)on2)cnn1C ZINC000364153508 511986497 /nfs/dbraw/zinc/98/64/97/511986497.db2.gz NONPEJLULRLFRD-FQEVSTJZSA-N 1 2 363.421 2.829 20 30 FFEDLO C[C@@H](NC(=O)C1([NH+]2CCOCC2)CCC1)c1cn(-c2ccccc2)nn1 ZINC000329119162 511987295 /nfs/dbraw/zinc/98/72/95/511987295.db2.gz VFPSPZHJTGDALP-OAHLLOKOSA-N 1 2 355.442 2.540 20 30 FFEDLO Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3CCO[C@H](C(C)C)C3)CC2)s1 ZINC000329144303 511992541 /nfs/dbraw/zinc/99/25/41/511992541.db2.gz MWBOAHDJBVGDQY-WBVHZDCISA-N 1 2 366.531 2.687 20 30 FFEDLO Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000329182768 512000506 /nfs/dbraw/zinc/00/05/06/512000506.db2.gz PDADSEAFHHFYKK-RTBURBONSA-N 1 2 373.497 2.585 20 30 FFEDLO Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000329182768 512000510 /nfs/dbraw/zinc/00/05/10/512000510.db2.gz PDADSEAFHHFYKK-RTBURBONSA-N 1 2 373.497 2.585 20 30 FFEDLO Cn1cc2c(n1)CCC[C@@H]2C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000329301814 512023195 /nfs/dbraw/zinc/02/31/95/512023195.db2.gz WAHNNBJWTVPFDS-MSOLQXFVSA-N 1 2 368.481 2.698 20 30 FFEDLO Cn1cc2c(n1)CCC[C@@H]2C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000329301814 512023202 /nfs/dbraw/zinc/02/32/02/512023202.db2.gz WAHNNBJWTVPFDS-MSOLQXFVSA-N 1 2 368.481 2.698 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2CCCC(C)(C)C2)CCC(=O)N1C1CC1 ZINC000329362779 512034405 /nfs/dbraw/zinc/03/44/05/512034405.db2.gz ZENRRXBKWJJIIU-CRAIPNDOSA-N 1 2 373.501 2.651 20 30 FFEDLO CC[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CCS1 ZINC000329410237 512041046 /nfs/dbraw/zinc/04/10/46/512041046.db2.gz BSEQGEPEZUGHTN-CABCVRRESA-N 1 2 352.504 2.629 20 30 FFEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Nc2cnc3c(c2)CCCC3)CC1 ZINC000329441304 512047642 /nfs/dbraw/zinc/04/76/42/512047642.db2.gz JZGKFYOXLGTRPM-AWEZNQCLSA-N 1 2 371.485 2.631 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cccc3c2OCO3)CC1 ZINC000329447125 512048486 /nfs/dbraw/zinc/04/84/86/512048486.db2.gz LJBTYJSFJDAKOD-CQSZACIVSA-N 1 2 354.410 2.735 20 30 FFEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc(Cl)n1 ZINC000275146192 512054957 /nfs/dbraw/zinc/05/49/57/512054957.db2.gz OEJQGGXRUHIIEA-UHFFFAOYSA-N 1 2 354.841 2.873 20 30 FFEDLO Cc1ccccc1C(=O)NC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000329487962 512057085 /nfs/dbraw/zinc/05/70/85/512057085.db2.gz UGTLQJFBUFSWQI-INIZCTEOSA-N 1 2 366.465 2.750 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000329596362 512074279 /nfs/dbraw/zinc/07/42/79/512074279.db2.gz INGARGDHIGGURT-CXAGYDPISA-N 1 2 368.437 2.789 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000329596362 512074287 /nfs/dbraw/zinc/07/42/87/512074287.db2.gz INGARGDHIGGURT-CXAGYDPISA-N 1 2 368.437 2.789 20 30 FFEDLO N#CCN1CCC(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000329663636 512083945 /nfs/dbraw/zinc/08/39/45/512083945.db2.gz PHUFQKAQIXKHTK-IBGZPJMESA-N 1 2 372.538 2.969 20 30 FFEDLO O=C(N[C@H]1c2ccccc2CC12CCOCC2)N1CCn2cc[nH+]c2C1 ZINC000329725345 512091375 /nfs/dbraw/zinc/09/13/75/512091375.db2.gz GFILNLNWZMDQOF-SFHVURJKSA-N 1 2 352.438 2.707 20 30 FFEDLO C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329740786 512092359 /nfs/dbraw/zinc/09/23/59/512092359.db2.gz OEVRAPMHROGSMC-OCCSQVGLSA-N 1 2 369.473 2.507 20 30 FFEDLO C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329740786 512092362 /nfs/dbraw/zinc/09/23/62/512092362.db2.gz OEVRAPMHROGSMC-OCCSQVGLSA-N 1 2 369.473 2.507 20 30 FFEDLO O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329776429 512096335 /nfs/dbraw/zinc/09/63/35/512096335.db2.gz OCNNXHUZWSWWNU-ZIAGYGMSSA-N 1 2 374.876 2.830 20 30 FFEDLO C[C@H](NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)[C@@H]1CCOC1 ZINC000329775446 512096390 /nfs/dbraw/zinc/09/63/90/512096390.db2.gz NAKFYVQUSGLCEM-XGUBFFRZSA-N 1 2 355.479 2.589 20 30 FFEDLO C[C@H](NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)[C@@H]1CCOC1 ZINC000329775446 512096393 /nfs/dbraw/zinc/09/63/93/512096393.db2.gz NAKFYVQUSGLCEM-XGUBFFRZSA-N 1 2 355.479 2.589 20 30 FFEDLO CC(C)c1nnc(CNC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)s1 ZINC000329832449 512102376 /nfs/dbraw/zinc/10/23/76/512102376.db2.gz KWCYCJVLKKCXFR-AWEZNQCLSA-N 1 2 374.514 2.849 20 30 FFEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000329895929 512106123 /nfs/dbraw/zinc/10/61/23/512106123.db2.gz CEQVZAJQJHUWJI-CQSZACIVSA-N 1 2 364.515 2.610 20 30 FFEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000329895929 512106124 /nfs/dbraw/zinc/10/61/24/512106124.db2.gz CEQVZAJQJHUWJI-CQSZACIVSA-N 1 2 364.515 2.610 20 30 FFEDLO COc1ccccc1[C@@H](NC(=O)NCC1(CC#N)CC1)c1[nH+]ccn1C ZINC000373717187 512470347 /nfs/dbraw/zinc/47/03/47/512470347.db2.gz BACVNQQYPAUOST-MRXNPFEDSA-N 1 2 353.426 2.511 20 30 FFEDLO Cc1cc(-c2noc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)n2)ccc1F ZINC000371934413 512642691 /nfs/dbraw/zinc/64/26/91/512642691.db2.gz SSNTZKHYEZAVNB-CHWSQXEVSA-N 1 2 359.405 2.595 20 30 FFEDLO C#CC[C@@H](NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)c1ccccc1 ZINC000378275639 512671548 /nfs/dbraw/zinc/67/15/48/512671548.db2.gz WDAOPICVTZADQU-LJQANCHMSA-N 1 2 372.428 2.906 20 30 FFEDLO Cc1noc(C2(C)CC[NH+](CC(=O)Nc3sc(C)c(C)c3C#N)CC2)n1 ZINC000374743333 512981565 /nfs/dbraw/zinc/98/15/65/512981565.db2.gz MSTSLSQNPGAOFW-UHFFFAOYSA-N 1 2 373.482 2.920 20 30 FFEDLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000370730443 513074260 /nfs/dbraw/zinc/07/42/60/513074260.db2.gz OCXFIMGADXJBLV-GXTWGEPZSA-N 1 2 372.375 2.712 20 30 FFEDLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000370730443 513074263 /nfs/dbraw/zinc/07/42/63/513074263.db2.gz OCXFIMGADXJBLV-GXTWGEPZSA-N 1 2 372.375 2.712 20 30 FFEDLO Cc1cc(CNC(=O)C(=O)Nc2ccccc2SCCC#N)cc(C)[nH+]1 ZINC000421251125 513178628 /nfs/dbraw/zinc/17/86/28/513178628.db2.gz PHYHXNORTLGPNI-UHFFFAOYSA-N 1 2 368.462 2.959 20 30 FFEDLO CS(=O)(=O)CC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000429233854 513309736 /nfs/dbraw/zinc/30/97/36/513309736.db2.gz ASJZZSQQLGXHAO-UHFFFAOYSA-N 1 2 359.413 2.814 20 30 FFEDLO CC(C)(C)c1nc(CN2CC[NH+](CC#Cc3ccc(F)cc3)CC2)no1 ZINC000440510288 513339923 /nfs/dbraw/zinc/33/99/23/513339923.db2.gz XYSWQNWTZCLZHS-UHFFFAOYSA-N 1 2 356.445 2.676 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000425138490 513424895 /nfs/dbraw/zinc/42/48/95/513424895.db2.gz YRNQIXVNMLRLSG-INIZCTEOSA-N 1 2 365.481 2.723 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000425208965 513454439 /nfs/dbraw/zinc/45/44/39/513454439.db2.gz OBYOJZHWJBKJBL-GOSISDBHSA-N 1 2 352.394 2.952 20 30 FFEDLO Cc1cc(NC[C@@H](CO)Cc2ccc(Br)cc2)c(C#N)c[nH+]1 ZINC000425265091 513482186 /nfs/dbraw/zinc/48/21/86/513482186.db2.gz YULSAJLXTADQSL-AWEZNQCLSA-N 1 2 360.255 2.709 20 30 FFEDLO CCOC(=O)[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)Cc2ccccc21 ZINC000441122301 513492198 /nfs/dbraw/zinc/49/21/98/513492198.db2.gz HQKSRGCNPDTISD-LJQANCHMSA-N 1 2 363.417 2.659 20 30 FFEDLO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)Cc2ccccc21 ZINC000441122301 513492207 /nfs/dbraw/zinc/49/22/07/513492207.db2.gz HQKSRGCNPDTISD-LJQANCHMSA-N 1 2 363.417 2.659 20 30 FFEDLO COCc1cc(NCc2c[nH+]c3ccc(C#N)cn23)cc(C(=O)OC)c1 ZINC000430213820 513590196 /nfs/dbraw/zinc/59/01/96/513590196.db2.gz CWSLJDUZJZUOBC-UHFFFAOYSA-N 1 2 350.378 2.751 20 30 FFEDLO C=CCC1(C(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)CCCCC1 ZINC000451218522 513602711 /nfs/dbraw/zinc/60/27/11/513602711.db2.gz RKFCCQBCWFYKRV-UHFFFAOYSA-N 1 2 364.530 2.899 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425556257 513638799 /nfs/dbraw/zinc/63/87/99/513638799.db2.gz ZVNQPPOGZRPSQR-KBPBESRZSA-N 1 2 370.482 2.627 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425556257 513638807 /nfs/dbraw/zinc/63/88/07/513638807.db2.gz ZVNQPPOGZRPSQR-KBPBESRZSA-N 1 2 370.482 2.627 20 30 FFEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NS(=O)(=O)CC2(CC#N)CC2)c(C)c1 ZINC000451352684 513695816 /nfs/dbraw/zinc/69/58/16/513695816.db2.gz YVYGPRFCJFOMFI-SFHVURJKSA-N 1 2 372.494 2.855 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1ccccn1 ZINC000451370314 513706173 /nfs/dbraw/zinc/70/61/73/513706173.db2.gz CCCUKILUNUWNNO-MRXNPFEDSA-N 1 2 352.438 2.857 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccn1 ZINC000451370314 513706182 /nfs/dbraw/zinc/70/61/82/513706182.db2.gz CCCUKILUNUWNNO-MRXNPFEDSA-N 1 2 352.438 2.857 20 30 FFEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@](O)(C(F)F)C2)ccc1Cl ZINC000451423765 513742296 /nfs/dbraw/zinc/74/22/96/513742296.db2.gz FTGHRIHKJJGXNG-QGZVFWFLSA-N 1 2 371.815 2.597 20 30 FFEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@](O)(C(F)F)C2)ccc1Cl ZINC000451423765 513742301 /nfs/dbraw/zinc/74/23/01/513742301.db2.gz FTGHRIHKJJGXNG-QGZVFWFLSA-N 1 2 371.815 2.597 20 30 FFEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCOCC2CCC2)CC1 ZINC000419246956 513756713 /nfs/dbraw/zinc/75/67/13/513756713.db2.gz WRBHMQGKXHPQDV-UHFFFAOYSA-N 1 2 356.426 2.745 20 30 FFEDLO Cc1cc(NC(=O)NCCc2cn3ccccc3[nH+]2)c(C#N)cc1N(C)C ZINC000436494930 513872035 /nfs/dbraw/zinc/87/20/35/513872035.db2.gz GLBZWFKBACNJRS-UHFFFAOYSA-N 1 2 362.437 2.945 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(O)(C(F)F)CC2)c1 ZINC000426457641 513946110 /nfs/dbraw/zinc/94/61/10/513946110.db2.gz YQJRXGCUMDRYJB-UHFFFAOYSA-N 1 2 365.424 2.642 20 30 FFEDLO Cc1[nH]c(C#N)cc1C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000448896223 513958416 /nfs/dbraw/zinc/95/84/16/513958416.db2.gz DWPGBZCXHKYBDW-INIZCTEOSA-N 1 2 366.465 2.558 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNc1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)CCC2 ZINC000443893393 514063628 /nfs/dbraw/zinc/06/36/28/514063628.db2.gz BAOBMBLAQSAUOG-ZDUSSCGKSA-N 1 2 362.393 2.931 20 30 FFEDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000451983778 514109836 /nfs/dbraw/zinc/10/98/36/514109836.db2.gz CPFOQNDPGDVVLC-MRXNPFEDSA-N 1 2 353.388 2.793 20 30 FFEDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000451983778 514109844 /nfs/dbraw/zinc/10/98/44/514109844.db2.gz CPFOQNDPGDVVLC-MRXNPFEDSA-N 1 2 353.388 2.793 20 30 FFEDLO Cc1cc(NS(=O)(=O)c2cc(C#N)ccc2C)n(-c2cc[nH+]cc2)n1 ZINC000437310554 514137715 /nfs/dbraw/zinc/13/77/15/514137715.db2.gz WLSYMGXNHGEQQO-UHFFFAOYSA-N 1 2 353.407 2.557 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000437655625 514204304 /nfs/dbraw/zinc/20/43/04/514204304.db2.gz OJHVFRLRFBLACT-RBUKOAKNSA-N 1 2 354.454 2.712 20 30 FFEDLO COc1cc(OC)cc(-n2nnnc2C[N@H+](C)CCCCC(C)(C)C#N)c1 ZINC000444637008 514280483 /nfs/dbraw/zinc/28/04/83/514280483.db2.gz FNZBCMFIXBJTHW-UHFFFAOYSA-N 1 2 372.473 2.831 20 30 FFEDLO COc1cc(OC)cc(-n2nnnc2C[N@@H+](C)CCCCC(C)(C)C#N)c1 ZINC000444637008 514280487 /nfs/dbraw/zinc/28/04/87/514280487.db2.gz FNZBCMFIXBJTHW-UHFFFAOYSA-N 1 2 372.473 2.831 20 30 FFEDLO Cn1cc[nH+]c1CN1CCN(c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000428119958 514403204 /nfs/dbraw/zinc/40/32/04/514403204.db2.gz HVFAZRKOXXAGAU-UHFFFAOYSA-N 1 2 364.497 2.623 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@]23CCOC3)c1C#N ZINC000421013665 514438304 /nfs/dbraw/zinc/43/83/04/514438304.db2.gz GHUSBXBDANQPBM-FQEVSTJZSA-N 1 2 356.470 2.895 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@]23CCOC3)c1C#N ZINC000421013665 514438305 /nfs/dbraw/zinc/43/83/05/514438305.db2.gz GHUSBXBDANQPBM-FQEVSTJZSA-N 1 2 356.470 2.895 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)CC1(C#N)CCCC1 ZINC000428427397 514472869 /nfs/dbraw/zinc/47/28/69/514472869.db2.gz RJCGAISMOBHNOV-UHFFFAOYSA-N 1 2 352.504 2.571 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(F)cc3F)CC2)cc1 ZINC000445645499 514500903 /nfs/dbraw/zinc/50/09/03/514500903.db2.gz SJFKBAGGADHXNL-UHFFFAOYSA-N 1 2 355.388 2.723 20 30 FFEDLO Cc1cc(C)c(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(C)[nH+]1 ZINC000455490688 514554688 /nfs/dbraw/zinc/55/46/88/514554688.db2.gz XBJYTPBSFRZMPG-UHFFFAOYSA-N 1 2 350.426 2.628 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc1 ZINC000470936323 514681503 /nfs/dbraw/zinc/68/15/03/514681503.db2.gz ZMCMVOANSJOIFZ-OXQOHEQNSA-N 1 2 371.481 2.831 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc1 ZINC000470936323 514681513 /nfs/dbraw/zinc/68/15/13/514681513.db2.gz ZMCMVOANSJOIFZ-OXQOHEQNSA-N 1 2 371.481 2.831 20 30 FFEDLO C=CCn1cccc1C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000489080675 514700014 /nfs/dbraw/zinc/70/00/14/514700014.db2.gz UJXLCTYFLBPNNK-UHFFFAOYSA-N 1 2 351.410 2.639 20 30 FFEDLO C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000461720603 514705769 /nfs/dbraw/zinc/70/57/69/514705769.db2.gz CDVAQKNSYVHTNL-CRAIPNDOSA-N 1 2 369.490 2.913 20 30 FFEDLO C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000461720607 514706129 /nfs/dbraw/zinc/70/61/29/514706129.db2.gz CDVAQKNSYVHTNL-YJBOKZPZSA-N 1 2 369.490 2.913 20 30 FFEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000502639902 514725043 /nfs/dbraw/zinc/72/50/43/514725043.db2.gz XJLJPJXQEFTNNV-FQEVSTJZSA-N 1 2 372.469 2.560 20 30 FFEDLO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471027050 514725770 /nfs/dbraw/zinc/72/57/70/514725770.db2.gz CKGQPLAYWIOXSP-PBHICJAKSA-N 1 2 362.905 2.825 20 30 FFEDLO CCN1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1c1ncc[nH]1 ZINC000471088910 514748817 /nfs/dbraw/zinc/74/88/17/514748817.db2.gz MAAVSNXAOJGKTH-OAHLLOKOSA-N 1 2 361.396 2.762 20 30 FFEDLO CCN1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1c1ncc[nH]1 ZINC000471088910 514748827 /nfs/dbraw/zinc/74/88/27/514748827.db2.gz MAAVSNXAOJGKTH-OAHLLOKOSA-N 1 2 361.396 2.762 20 30 FFEDLO C=CCCCS(=O)(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000489213855 514754708 /nfs/dbraw/zinc/75/47/08/514754708.db2.gz GEHGKKRQWZVPAZ-MRXNPFEDSA-N 1 2 352.500 2.670 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000502740118 514758430 /nfs/dbraw/zinc/75/84/30/514758430.db2.gz QPSWVSSOCNTGQY-MRXNPFEDSA-N 1 2 366.440 2.842 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)[C@@H]1C ZINC000471148899 514770275 /nfs/dbraw/zinc/77/02/75/514770275.db2.gz WWFOLERLGFMMMC-QCFAMHMHSA-N 1 2 368.525 2.810 20 30 FFEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1 ZINC000489427101 514843609 /nfs/dbraw/zinc/84/36/09/514843609.db2.gz LXHJQRUQIANVCF-MRXNPFEDSA-N 1 2 354.458 2.567 20 30 FFEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1 ZINC000489427101 514843619 /nfs/dbraw/zinc/84/36/19/514843619.db2.gz LXHJQRUQIANVCF-MRXNPFEDSA-N 1 2 354.458 2.567 20 30 FFEDLO C=C(C)CCNC(=O)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000453873712 514970815 /nfs/dbraw/zinc/97/08/15/514970815.db2.gz CBTDPVBQLSLMGQ-UHFFFAOYSA-N 1 2 372.494 2.796 20 30 FFEDLO C=C(C)CCNC(=O)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000453873712 514970828 /nfs/dbraw/zinc/97/08/28/514970828.db2.gz CBTDPVBQLSLMGQ-UHFFFAOYSA-N 1 2 372.494 2.796 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC(F)(C#N)CC1)c1ccccc1F ZINC000476293902 514986598 /nfs/dbraw/zinc/98/65/98/514986598.db2.gz DMAWMLXCIFFVOZ-HNNXBMFYSA-N 1 2 359.380 2.686 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC(F)(C#N)CC1)c1cccc(F)c1 ZINC000476296181 514988427 /nfs/dbraw/zinc/98/84/27/514988427.db2.gz NVOKGDOJBRNWGT-HNNXBMFYSA-N 1 2 359.380 2.686 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(Br)cc3c2OCC3)C1=O ZINC000467512630 515031389 /nfs/dbraw/zinc/03/13/89/515031389.db2.gz IZAKEXWDUVOCIF-HNNXBMFYSA-N 1 2 365.271 2.603 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Br)cc3c2OCC3)C1=O ZINC000467512630 515031397 /nfs/dbraw/zinc/03/13/97/515031397.db2.gz IZAKEXWDUVOCIF-HNNXBMFYSA-N 1 2 365.271 2.603 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000499272047 515265053 /nfs/dbraw/zinc/26/50/53/515265053.db2.gz GEMIWTUSCUBBHG-RBUKOAKNSA-N 1 2 371.481 2.568 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000499272047 515265067 /nfs/dbraw/zinc/26/50/67/515265067.db2.gz GEMIWTUSCUBBHG-RBUKOAKNSA-N 1 2 371.481 2.568 20 30 FFEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+](Cc3ccc(F)cc3)C3CC3)C2=O)cc1 ZINC000477063637 515311590 /nfs/dbraw/zinc/31/15/90/515311590.db2.gz IYIQBYVLFQCCMA-LJQANCHMSA-N 1 2 363.392 2.994 20 30 FFEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+](Cc3ccc(F)cc3)C3CC3)C2=O)cc1 ZINC000477063637 515311599 /nfs/dbraw/zinc/31/15/99/515311599.db2.gz IYIQBYVLFQCCMA-LJQANCHMSA-N 1 2 363.392 2.994 20 30 FFEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cncc(F)c1 ZINC000459192031 515388627 /nfs/dbraw/zinc/38/86/27/515388627.db2.gz MYPUYKMYCNHBGP-HNNXBMFYSA-N 1 2 367.428 2.681 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)c[nH+]2)C[C@H](C)O1 ZINC000454322788 515399641 /nfs/dbraw/zinc/39/96/41/515399641.db2.gz NPLRXWUENUCWPD-OVWQWFNUSA-N 1 2 371.485 2.577 20 30 FFEDLO COc1ncc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c(C)n1 ZINC000499776892 515449684 /nfs/dbraw/zinc/44/96/84/515449684.db2.gz XSBWPKDYNYZCEN-SFHVURJKSA-N 1 2 371.872 2.830 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000505251225 515486394 /nfs/dbraw/zinc/48/63/94/515486394.db2.gz LURQDHONXKMHIK-UHFFFAOYSA-N 1 2 371.404 2.826 20 30 FFEDLO CCOc1cc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)ccc1O ZINC000459345191 515489300 /nfs/dbraw/zinc/48/93/00/515489300.db2.gz AMDQZCFFUITGTC-BTYIYWSLSA-N 1 2 363.417 2.636 20 30 FFEDLO CCOc1cc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)ccc1O ZINC000459345191 515489309 /nfs/dbraw/zinc/48/93/09/515489309.db2.gz AMDQZCFFUITGTC-BTYIYWSLSA-N 1 2 363.417 2.636 20 30 FFEDLO C[C@@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)C(=O)NC1(C#N)CCCCC1 ZINC000499937346 515523481 /nfs/dbraw/zinc/52/34/81/515523481.db2.gz GELYGPKTLXRINL-DOMZBBRYSA-N 1 2 367.852 2.833 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000499968536 515539075 /nfs/dbraw/zinc/53/90/75/515539075.db2.gz ZIPJIKZDSYVKAC-LBPRGKRZSA-N 1 2 353.806 2.674 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(F)cc2Cl)C1=O ZINC000500014125 515557807 /nfs/dbraw/zinc/55/78/07/515557807.db2.gz MQBJGYPTBGNBTL-ABAIWWIYSA-N 1 2 353.825 2.525 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(F)cc2Cl)C1=O ZINC000500014125 515557822 /nfs/dbraw/zinc/55/78/22/515557822.db2.gz MQBJGYPTBGNBTL-ABAIWWIYSA-N 1 2 353.825 2.525 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000454623606 515616996 /nfs/dbraw/zinc/61/69/96/515616996.db2.gz TYYNKKIMDUSBPH-MSOLQXFVSA-N 1 2 354.454 2.659 20 30 FFEDLO N#Cc1cccc(-c2cc(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)on2)c1 ZINC000469002867 515624101 /nfs/dbraw/zinc/62/41/01/515624101.db2.gz MXNMVEWBTREAJO-INIZCTEOSA-N 1 2 359.389 2.617 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459562710 515650092 /nfs/dbraw/zinc/65/00/92/515650092.db2.gz OWDBYXYJTNXSJA-JXFKEZNVSA-N 1 2 358.438 2.826 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459562710 515650101 /nfs/dbraw/zinc/65/01/01/515650101.db2.gz OWDBYXYJTNXSJA-JXFKEZNVSA-N 1 2 358.438 2.826 20 30 FFEDLO C=CCOC[C@@H]([NH2+][C@@H](C)Cc1ccc(Br)cc1)C(=O)OC ZINC000482439039 515676358 /nfs/dbraw/zinc/67/63/58/515676358.db2.gz OAKSBTUUVCLZGB-SWLSCSKDSA-N 1 2 356.260 2.714 20 30 FFEDLO C=CCOC[C@@H]([NH2+][C@H](C)Cc1ccc(Br)cc1)C(=O)OC ZINC000482439038 515677194 /nfs/dbraw/zinc/67/71/94/515677194.db2.gz OAKSBTUUVCLZGB-IUODEOHRSA-N 1 2 356.260 2.714 20 30 FFEDLO CNc1ccc(C#N)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000510841245 515687001 /nfs/dbraw/zinc/68/70/01/515687001.db2.gz HUWNLUOKWJGSBQ-UHFFFAOYSA-N 1 2 362.349 2.946 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000506029453 515756609 /nfs/dbraw/zinc/75/66/09/515756609.db2.gz CFTHBTKFBFFFFM-GFCCVEGCSA-N 1 2 372.860 2.527 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000506029453 515756618 /nfs/dbraw/zinc/75/66/18/515756618.db2.gz CFTHBTKFBFFFFM-GFCCVEGCSA-N 1 2 372.860 2.527 20 30 FFEDLO Cc1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)nn1-c1cccc(C#N)c1 ZINC000506213481 515819607 /nfs/dbraw/zinc/81/96/07/515819607.db2.gz CPLFHLKNOFBEKI-INIZCTEOSA-N 1 2 360.421 2.795 20 30 FFEDLO CCC1(CC)C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CCS1 ZINC000464578761 515881315 /nfs/dbraw/zinc/88/13/15/515881315.db2.gz PDVFOQKYSNZRLB-UHFFFAOYSA-N 1 2 352.525 2.940 20 30 FFEDLO CCC1(CC)C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CCS1 ZINC000464578761 515881318 /nfs/dbraw/zinc/88/13/18/515881318.db2.gz PDVFOQKYSNZRLB-UHFFFAOYSA-N 1 2 352.525 2.940 20 30 FFEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2cscc2C#N)cc1 ZINC000459939815 515909277 /nfs/dbraw/zinc/90/92/77/515909277.db2.gz GVKCQOWZXKWMLV-GOSISDBHSA-N 1 2 355.463 2.732 20 30 FFEDLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000464822615 515975037 /nfs/dbraw/zinc/97/50/37/515975037.db2.gz MUSILCPKCWFQGG-HXUWFJFHSA-N 1 2 363.417 2.659 20 30 FFEDLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000464822615 515975048 /nfs/dbraw/zinc/97/50/48/515975048.db2.gz MUSILCPKCWFQGG-HXUWFJFHSA-N 1 2 363.417 2.659 20 30 FFEDLO N#Cc1cccc(F)c1CC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000506767379 515978370 /nfs/dbraw/zinc/97/83/70/515978370.db2.gz PLFMIVHXAMQARP-UHFFFAOYSA-N 1 2 353.397 2.711 20 30 FFEDLO COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H]([NH+]2CCC(C#N)CC2)C1=O ZINC000488015845 516081063 /nfs/dbraw/zinc/08/10/63/516081063.db2.gz SBEKDYYBXTWRMC-OAHLLOKOSA-N 1 2 361.829 2.525 20 30 FFEDLO Cc1nc(N2CC[NH+](Cc3cn4cc(Cl)ccc4n3)CC2)ccc1C#N ZINC000488052821 516096441 /nfs/dbraw/zinc/09/64/41/516096441.db2.gz CIMBWDIFTGXEDH-UHFFFAOYSA-N 1 2 366.856 2.885 20 30 FFEDLO CC(C)CN(C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1)C(C)C ZINC000507165854 516109097 /nfs/dbraw/zinc/10/90/97/516109097.db2.gz SJQHKUJJIPFBFY-UHFFFAOYSA-N 1 2 360.477 2.712 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000512198156 516195005 /nfs/dbraw/zinc/19/50/05/516195005.db2.gz UHVRYUSRYCURIY-OAHLLOKOSA-N 1 2 371.437 2.887 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000512198156 516195014 /nfs/dbraw/zinc/19/50/14/516195014.db2.gz UHVRYUSRYCURIY-OAHLLOKOSA-N 1 2 371.437 2.887 20 30 FFEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000460765057 516244287 /nfs/dbraw/zinc/24/42/87/516244287.db2.gz CZHXVBICKMWEPN-UHFFFAOYSA-N 1 2 363.812 2.783 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000528370469 516384368 /nfs/dbraw/zinc/38/43/68/516384368.db2.gz ZMYOAYFRAHRHSH-AZUAARDMSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000528370469 516384378 /nfs/dbraw/zinc/38/43/78/516384378.db2.gz ZMYOAYFRAHRHSH-AZUAARDMSA-N 1 2 356.397 2.511 20 30 FFEDLO Cc1ccc2sc(C[N@H+]3CCN(c4nccnc4C#N)C[C@@H]3C)nc2c1 ZINC000528402374 516409770 /nfs/dbraw/zinc/40/97/70/516409770.db2.gz FLLYVARILWXBII-AWEZNQCLSA-N 1 2 364.478 2.977 20 30 FFEDLO Cc1ccc2sc(C[N@@H+]3CCN(c4nccnc4C#N)C[C@@H]3C)nc2c1 ZINC000528402374 516409777 /nfs/dbraw/zinc/40/97/77/516409777.db2.gz FLLYVARILWXBII-AWEZNQCLSA-N 1 2 364.478 2.977 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000528414060 516417494 /nfs/dbraw/zinc/41/74/94/516417494.db2.gz OYXKESPPPPSBMI-MRXNPFEDSA-N 1 2 365.408 2.977 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000528414060 516417503 /nfs/dbraw/zinc/41/75/03/516417503.db2.gz OYXKESPPPPSBMI-MRXNPFEDSA-N 1 2 365.408 2.977 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+]([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528416154 516420823 /nfs/dbraw/zinc/42/08/23/516420823.db2.gz GGSHKEPNPCPJME-SFTDATJTSA-N 1 2 366.509 2.802 20 30 FFEDLO N#Cc1c(Cl)cccc1N1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000513081517 516464974 /nfs/dbraw/zinc/46/49/74/516464974.db2.gz IXVOKOPDHQFPLK-GOSISDBHSA-N 1 2 354.841 2.560 20 30 FFEDLO C=CC[C@H](CO)CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540414439 516544189 /nfs/dbraw/zinc/54/41/89/516544189.db2.gz NFLFUTRXCDARPA-ZLIFDBKOSA-N 1 2 369.868 2.708 20 30 FFEDLO C=CC[C@H](CO)CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540414439 516544197 /nfs/dbraw/zinc/54/41/97/516544197.db2.gz NFLFUTRXCDARPA-ZLIFDBKOSA-N 1 2 369.868 2.708 20 30 FFEDLO C=CCOc1cccc(C[NH+]2CCN([C@H](C)C(=O)NC3CCCC3)CC2)c1 ZINC000513437428 516623407 /nfs/dbraw/zinc/62/34/07/516623407.db2.gz DBMJYRMRTVSLJE-GOSISDBHSA-N 1 2 371.525 2.816 20 30 FFEDLO C=CCOc1cccc(CN2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)c1 ZINC000513437428 516623414 /nfs/dbraw/zinc/62/34/14/516623414.db2.gz DBMJYRMRTVSLJE-GOSISDBHSA-N 1 2 371.525 2.816 20 30 FFEDLO Cc1cccn2cc(CC(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)[nH+]c12 ZINC000524160013 516658736 /nfs/dbraw/zinc/65/87/36/516658736.db2.gz FZCZJWAOJFWYGV-HXUWFJFHSA-N 1 2 373.460 2.594 20 30 FFEDLO N#Cc1ccc(F)cc1CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000531834920 516668618 /nfs/dbraw/zinc/66/86/18/516668618.db2.gz UKKCHIDCBFMWIV-UHFFFAOYSA-N 1 2 367.424 2.786 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C/C=C/c1ccc(F)c(F)c1 ZINC000554858634 516668873 /nfs/dbraw/zinc/66/88/73/516668873.db2.gz RDOHHUOVIZHOPU-HSWBROFVSA-N 1 2 355.392 2.850 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C/C=C/c1ccc(F)c(F)c1 ZINC000554858634 516668884 /nfs/dbraw/zinc/66/88/84/516668884.db2.gz RDOHHUOVIZHOPU-HSWBROFVSA-N 1 2 355.392 2.850 20 30 FFEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1S(=O)(=O)CC1(C#N)CCC1 ZINC000554894107 516685589 /nfs/dbraw/zinc/68/55/89/516685589.db2.gz ZEYBFPWOOPNBIZ-MRXNPFEDSA-N 1 2 372.494 2.833 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1C#N ZINC000528783780 516694459 /nfs/dbraw/zinc/69/44/59/516694459.db2.gz NJRRFMFAFJGIGG-LEHBWIKQSA-N 1 2 354.479 2.538 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1C#N ZINC000528783780 516694467 /nfs/dbraw/zinc/69/44/67/516694467.db2.gz NJRRFMFAFJGIGG-LEHBWIKQSA-N 1 2 354.479 2.538 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528788516 516700866 /nfs/dbraw/zinc/70/08/66/516700866.db2.gz QAHWRPUGWVLMCG-COFHBGIHSA-N 1 2 365.886 2.524 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528788516 516700872 /nfs/dbraw/zinc/70/08/72/516700872.db2.gz QAHWRPUGWVLMCG-COFHBGIHSA-N 1 2 365.886 2.524 20 30 FFEDLO CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000555091019 516778099 /nfs/dbraw/zinc/77/80/99/516778099.db2.gz VYFCPMJFUHVPRT-UHFFFAOYSA-N 1 2 373.464 2.554 20 30 FFEDLO CC1(C#N)CC[NH+]([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000540930458 516778468 /nfs/dbraw/zinc/77/84/68/516778468.db2.gz CPUAAXDTMZEPOT-AWEZNQCLSA-N 1 2 365.355 2.963 20 30 FFEDLO COc1c(NCc2c[nH+]c3ccc(C#N)cn23)cc(Cl)cc1C(N)=O ZINC000551599573 516782370 /nfs/dbraw/zinc/78/23/70/516782370.db2.gz AFCHQGAJYYVPPR-UHFFFAOYSA-N 1 2 355.785 2.579 20 30 FFEDLO N#Cc1ccc(NC(=O)C[NH2+][C@H](CO)c2c(F)cccc2F)cc1Cl ZINC000541023758 516833222 /nfs/dbraw/zinc/83/32/22/516833222.db2.gz GVXUMEMVVJBZOX-OAHLLOKOSA-N 1 2 365.767 2.752 20 30 FFEDLO COc1cc(NC(=O)C[NH+]2CCC(CC#N)CC2)c(OC)cc1Cl ZINC000541024075 516836325 /nfs/dbraw/zinc/83/63/25/516836325.db2.gz JHYZGJTZDIJUEO-UHFFFAOYSA-N 1 2 351.834 2.921 20 30 FFEDLO N#CCc1ccnc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000532180116 516845120 /nfs/dbraw/zinc/84/51/20/516845120.db2.gz GREYFAIOALHXQS-GOSISDBHSA-N 1 2 352.463 2.876 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000541210329 516930793 /nfs/dbraw/zinc/93/07/93/516930793.db2.gz KBOFUNBHXFJUQH-UHFFFAOYSA-N 1 2 352.419 2.735 20 30 FFEDLO CCOC(=O)C1([NH2+]CCCC2(C#N)CCOCC2)Cc2ccccc2C1 ZINC000525182013 516948000 /nfs/dbraw/zinc/94/80/00/516948000.db2.gz QPDRYKCWJYSBDM-UHFFFAOYSA-N 1 2 356.466 2.777 20 30 FFEDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3c(C#N)cccc3[N+](=O)[O-])c2cc1C ZINC000555582026 516991341 /nfs/dbraw/zinc/99/13/41/516991341.db2.gz YCZALVIUVHEMAY-OAHLLOKOSA-N 1 2 366.377 2.873 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc4c3OCC4)CC2)cc1 ZINC000529191165 516992968 /nfs/dbraw/zinc/99/29/68/516992968.db2.gz CWFQYFSQKBBWIK-UHFFFAOYSA-N 1 2 362.433 2.843 20 30 FFEDLO Cc1c[nH]c(C(C)(C)NC(=O)CCCC(=O)Nc2ccccc2C#N)[nH+]1 ZINC000519538910 517034454 /nfs/dbraw/zinc/03/44/54/517034454.db2.gz BUHQQZSUXVDJHP-UHFFFAOYSA-N 1 2 353.426 2.750 20 30 FFEDLO C=CCOc1ccc(/C=C/c2nc([C@@H]3C[N@H+](C)CCN3C)no2)cc1OC ZINC000545090933 517047665 /nfs/dbraw/zinc/04/76/65/517047665.db2.gz ZZNQJCFYTYCWOF-DYLHUKMJSA-N 1 2 370.453 2.732 20 30 FFEDLO C=CCOc1ccc(/C=C/c2nc([C@@H]3C[N@@H+](C)CCN3C)no2)cc1OC ZINC000545090933 517047670 /nfs/dbraw/zinc/04/76/70/517047670.db2.gz ZZNQJCFYTYCWOF-DYLHUKMJSA-N 1 2 370.453 2.732 20 30 FFEDLO CC[C@H]1C[N@H+](Cc2cccc(C(=O)OC)c2C#N)[C@@H](CC)CN1C(C)=O ZINC000555684287 517064117 /nfs/dbraw/zinc/06/41/17/517064117.db2.gz XLLFBDHKDYPRLM-IRXDYDNUSA-N 1 2 357.454 2.566 20 30 FFEDLO CC[C@H]1C[N@@H+](Cc2cccc(C(=O)OC)c2C#N)[C@@H](CC)CN1C(C)=O ZINC000555684287 517064124 /nfs/dbraw/zinc/06/41/24/517064124.db2.gz XLLFBDHKDYPRLM-IRXDYDNUSA-N 1 2 357.454 2.566 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000559187797 517115822 /nfs/dbraw/zinc/11/58/22/517115822.db2.gz WTCJCHUQVBMGCR-SFHVURJKSA-N 1 2 351.454 2.618 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000537265452 517115901 /nfs/dbraw/zinc/11/59/01/517115901.db2.gz LVSNDORPWBNTTR-IRXDYDNUSA-N 1 2 373.497 2.879 20 30 FFEDLO C[C@H](C#N)C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CC1 ZINC000532817961 517157129 /nfs/dbraw/zinc/15/71/29/517157129.db2.gz OLBXZDGHORMGQN-LLVKDONJSA-N 1 2 361.243 2.581 20 30 FFEDLO C[C@H](C#N)C[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CC1 ZINC000532817961 517157134 /nfs/dbraw/zinc/15/71/34/517157134.db2.gz OLBXZDGHORMGQN-LLVKDONJSA-N 1 2 361.243 2.581 20 30 FFEDLO Cc1noc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)n1 ZINC000541650762 517158236 /nfs/dbraw/zinc/15/82/36/517158236.db2.gz XISGHTKVEKMMCL-NWDGAFQWSA-N 1 2 359.455 2.919 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1C#N ZINC000515127068 517220601 /nfs/dbraw/zinc/22/06/01/517220601.db2.gz VQXIAJSHSNFFBJ-FPOVZHCZSA-N 1 2 368.408 2.645 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1C#N ZINC000515127068 517220611 /nfs/dbraw/zinc/22/06/11/517220611.db2.gz VQXIAJSHSNFFBJ-FPOVZHCZSA-N 1 2 368.408 2.645 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542117729 517390223 /nfs/dbraw/zinc/39/02/23/517390223.db2.gz HLISXMGPTKMDIB-UHFFFAOYSA-N 1 2 372.494 2.944 20 30 FFEDLO N#Cc1cccc(CS(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000542139930 517402293 /nfs/dbraw/zinc/40/22/93/517402293.db2.gz HUMKLAKFUSMWOR-UHFFFAOYSA-N 1 2 352.419 2.568 20 30 FFEDLO N#Cc1cnn2cc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)cnc12 ZINC000515649667 517434892 /nfs/dbraw/zinc/43/48/92/517434892.db2.gz LFULTYNERFZJGZ-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO Cc1cc(Br)cn2cc(CCNC(=O)c3cc(C#N)c[nH]3)[nH+]c12 ZINC000546116945 517551911 /nfs/dbraw/zinc/55/19/11/517551911.db2.gz JOBQIFFYVZXBKI-UHFFFAOYSA-N 1 2 372.226 2.578 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000538368301 517588396 /nfs/dbraw/zinc/58/83/96/517588396.db2.gz BBZXKQZSADRPGK-QUCCMNQESA-N 1 2 359.514 2.974 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3csc(-c4ccccn4)n3)CC2)n1 ZINC000546213451 517601288 /nfs/dbraw/zinc/60/12/88/517601288.db2.gz QZRNDPAPDZYCLG-UHFFFAOYSA-N 1 2 362.462 2.794 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000527482403 517702080 /nfs/dbraw/zinc/70/20/80/517702080.db2.gz DHVAIDICPPLCDC-IDYZSHNDSA-N 1 2 368.525 2.932 20 30 FFEDLO COc1ccc(Cl)cc1N1C(=O)C[C@H]([NH+]2CCC(C)(C#N)CC2)C1=O ZINC000542788543 517742803 /nfs/dbraw/zinc/74/28/03/517742803.db2.gz QCZSGBNREFQBID-AWEZNQCLSA-N 1 2 361.829 2.606 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000546743248 517831321 /nfs/dbraw/zinc/83/13/21/517831321.db2.gz JZVICQYSKCCECE-UHFFFAOYSA-N 1 2 370.419 2.647 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1nc2ccccc2cc1Br ZINC000516774519 517839409 /nfs/dbraw/zinc/83/94/09/517839409.db2.gz UNJBXXYHIRHCIA-INIZCTEOSA-N 1 2 361.243 2.571 20 30 FFEDLO N#Cc1ccc(OCCNC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000534528002 517927489 /nfs/dbraw/zinc/92/74/89/517927489.db2.gz AHZUHXQQQBQNKZ-UHFFFAOYSA-N 1 2 370.478 2.526 20 30 FFEDLO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000554210573 518106589 /nfs/dbraw/zinc/10/65/89/518106589.db2.gz CRYKFJUXOXNQQI-CYBMUJFWSA-N 1 2 350.260 2.669 20 30 FFEDLO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000554210573 518106593 /nfs/dbraw/zinc/10/65/93/518106593.db2.gz CRYKFJUXOXNQQI-CYBMUJFWSA-N 1 2 350.260 2.669 20 30 FFEDLO C=C(C)[C@H](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1)OCC ZINC000535163001 518160200 /nfs/dbraw/zinc/16/02/00/518160200.db2.gz SIBOQDCFRACDEP-IRXDYDNUSA-N 1 2 365.543 2.524 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c1C#N ZINC000535206161 518166216 /nfs/dbraw/zinc/16/62/16/518166216.db2.gz MCRRFCHTBKAWEB-UHFFFAOYSA-N 1 2 358.438 2.899 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCSC[C@H]2C2CCC2)c1 ZINC000572467560 518208159 /nfs/dbraw/zinc/20/81/59/518208159.db2.gz BJWLGLAQXUBSJE-KRWDZBQOSA-N 1 2 350.509 2.549 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCSC[C@H]2C2CCC2)c1 ZINC000572467560 518208163 /nfs/dbraw/zinc/20/81/63/518208163.db2.gz BJWLGLAQXUBSJE-KRWDZBQOSA-N 1 2 350.509 2.549 20 30 FFEDLO CCN(CCOC)c1cccc(CN2CCC[C@]3(CCCCO3)[C@@H]2C#N)[nH+]1 ZINC000581457910 518293238 /nfs/dbraw/zinc/29/32/38/518293238.db2.gz RUDRYKQRWCSEQO-PZJWPPBQSA-N 1 2 372.513 2.982 20 30 FFEDLO N#Cc1cnc2c(F)ccc(Cl)c2c1NCC1([NH+]2CCOCC2)CC1 ZINC000572701537 518318758 /nfs/dbraw/zinc/31/87/58/518318758.db2.gz KXEANKZOGNAZCX-UHFFFAOYSA-N 1 2 360.820 2.598 20 30 FFEDLO COc1cc(C)c(C[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1OC ZINC000576012465 518385613 /nfs/dbraw/zinc/38/56/13/518385613.db2.gz QFZLKJNXTRVZPQ-UHFFFAOYSA-N 1 2 372.494 2.971 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000576032864 518396624 /nfs/dbraw/zinc/39/66/24/518396624.db2.gz RNWBJIGBZYZPIP-WMZOPIPTSA-N 1 2 358.486 2.700 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC=C(c3ccccn3)C2)C1=O ZINC000564344787 518409460 /nfs/dbraw/zinc/40/94/60/518409460.db2.gz XYCORXXNPIGUQQ-QGZVFWFLSA-N 1 2 350.447 2.909 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC=C(c3ccccn3)C2)C1=O ZINC000564344787 518409468 /nfs/dbraw/zinc/40/94/68/518409468.db2.gz XYCORXXNPIGUQQ-QGZVFWFLSA-N 1 2 350.447 2.909 20 30 FFEDLO CC(C)(CC#N)CS(=O)(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000570040026 518412692 /nfs/dbraw/zinc/41/26/92/518412692.db2.gz JWAGRLCHXJCBTA-HNNXBMFYSA-N 1 2 364.515 2.668 20 30 FFEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000570250793 518515210 /nfs/dbraw/zinc/51/52/10/518515210.db2.gz JKFHKTCMLTXFAM-ZDUSSCGKSA-N 1 2 350.413 2.533 20 30 FFEDLO CCC[C@H]1CN(Cc2ccc(C#N)cn2)CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000581996285 518537727 /nfs/dbraw/zinc/53/77/27/518537727.db2.gz XRZUTDPIOADLMB-NRFANRHFSA-N 1 2 360.465 2.706 20 30 FFEDLO CCC[C@H]1CN(Cc2ccc(C#N)cn2)CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000581996285 518537730 /nfs/dbraw/zinc/53/77/30/518537730.db2.gz XRZUTDPIOADLMB-NRFANRHFSA-N 1 2 360.465 2.706 20 30 FFEDLO CCC[C@H]1C[N@H+](Cc2ccc(C#N)cn2)CCN1Cc1ccc(C#N)cn1 ZINC000581996285 518537736 /nfs/dbraw/zinc/53/77/36/518537736.db2.gz XRZUTDPIOADLMB-NRFANRHFSA-N 1 2 360.465 2.706 20 30 FFEDLO CCC[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCN1Cc1ccc(C#N)cn1 ZINC000581996285 518537741 /nfs/dbraw/zinc/53/77/41/518537741.db2.gz XRZUTDPIOADLMB-NRFANRHFSA-N 1 2 360.465 2.706 20 30 FFEDLO Cn1c[nH+]cc1CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000582021426 518548614 /nfs/dbraw/zinc/54/86/14/518548614.db2.gz LWCMNLJWZTYYPM-UHFFFAOYSA-N 1 2 370.463 2.617 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3Cc4ccc(O)cc4C4(CC4)C3)C2=O)cc1 ZINC000564672991 518557683 /nfs/dbraw/zinc/55/76/83/518557683.db2.gz CCUBZLURVWQUFE-FQEVSTJZSA-N 1 2 359.429 2.917 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3Cc4ccc(O)cc4C4(CC4)C3)C2=O)cc1 ZINC000564672991 518557689 /nfs/dbraw/zinc/55/76/89/518557689.db2.gz CCUBZLURVWQUFE-FQEVSTJZSA-N 1 2 359.429 2.917 20 30 FFEDLO CC(C)[N@@H+]1CC[C@@H](NCc2ncc(C#N)cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000579333978 518631571 /nfs/dbraw/zinc/63/15/71/518631571.db2.gz SZDIQOFZPHKMKK-MJGOQNOKSA-N 1 2 357.408 2.940 20 30 FFEDLO CC(C)[N@H+]1CC[C@@H](NCc2ncc(C#N)cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000579333978 518631574 /nfs/dbraw/zinc/63/15/74/518631574.db2.gz SZDIQOFZPHKMKK-MJGOQNOKSA-N 1 2 357.408 2.940 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000564871020 518665547 /nfs/dbraw/zinc/66/55/47/518665547.db2.gz DGJQTBQJFXIHBR-QGZVFWFLSA-N 1 2 362.886 2.966 20 30 FFEDLO C=CCN1C(=O)N([C@@H]2C[C@@H](C)n3cc[nH+]c32)C(=O)[C@@H]1Cc1ccccc1 ZINC000573549763 518721250 /nfs/dbraw/zinc/72/12/50/518721250.db2.gz ZXEVJEFFCGQNKD-OIISXLGYSA-N 1 2 350.422 2.950 20 30 FFEDLO Cc1ccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000588954705 518879078 /nfs/dbraw/zinc/87/90/78/518879078.db2.gz FFRKYMNTAUJBNJ-GOSISDBHSA-N 1 2 355.463 2.873 20 30 FFEDLO Cc1ccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000588954705 518879090 /nfs/dbraw/zinc/87/90/90/518879090.db2.gz FFRKYMNTAUJBNJ-GOSISDBHSA-N 1 2 355.463 2.873 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000582729327 518893391 /nfs/dbraw/zinc/89/33/91/518893391.db2.gz ANKUTOSUEDUZKL-UTKZUKDTSA-N 1 2 355.482 2.965 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000582729327 518893397 /nfs/dbraw/zinc/89/33/97/518893397.db2.gz ANKUTOSUEDUZKL-UTKZUKDTSA-N 1 2 355.482 2.965 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1c(Cl)cc(Cl)cc1Cl ZINC000571094325 518923000 /nfs/dbraw/zinc/92/30/00/518923000.db2.gz NSJRHADPBRKKHF-AWEZNQCLSA-N 1 2 364.660 2.986 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000568358475 518997449 /nfs/dbraw/zinc/99/74/49/518997449.db2.gz WBHMXLAVSVBECB-QZWWFDLISA-N 1 2 367.852 2.867 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000568358475 518997455 /nfs/dbraw/zinc/99/74/55/518997455.db2.gz WBHMXLAVSVBECB-QZWWFDLISA-N 1 2 367.852 2.867 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3cccc4c3OCCCO4)CC2)c1C#N ZINC000571251835 518999311 /nfs/dbraw/zinc/99/93/11/518999311.db2.gz QFBXOHDQJMFMAX-UHFFFAOYSA-N 1 2 370.478 2.807 20 30 FFEDLO N#CCN1CCC[C@@H](CNC(=O)CCn2c3ccccc3[nH+]c2C2CC2)C1 ZINC000589431843 519002169 /nfs/dbraw/zinc/00/21/69/519002169.db2.gz ZPMMBLUJZLAZAN-INIZCTEOSA-N 1 2 365.481 2.656 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000574268130 519072835 /nfs/dbraw/zinc/07/28/35/519072835.db2.gz UESNMEZIDCPBAA-UHFFFAOYSA-N 1 2 364.449 2.827 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000574275005 519075219 /nfs/dbraw/zinc/07/52/19/519075219.db2.gz JVRXUJSETWUXDA-MSOLQXFVSA-N 1 2 358.486 2.995 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1cc(Cl)ccc1Br ZINC000571688490 519221359 /nfs/dbraw/zinc/22/13/59/519221359.db2.gz JBQTYXHIVOSHOW-HNNXBMFYSA-N 1 2 372.694 2.995 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000571689281 519223205 /nfs/dbraw/zinc/22/32/05/519223205.db2.gz OYAYXNQFYFTQOT-SQWLQELKSA-N 1 2 355.360 2.649 20 30 FFEDLO N#CCc1ccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cc1 ZINC000590543292 519261152 /nfs/dbraw/zinc/26/11/52/519261152.db2.gz CYXYHFSFFMZGNG-UHFFFAOYSA-N 1 2 354.479 2.987 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000574802936 519339056 /nfs/dbraw/zinc/33/90/56/519339056.db2.gz CQJQEKAKLDZXQO-GOSISDBHSA-N 1 2 350.422 2.969 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000574802936 519339061 /nfs/dbraw/zinc/33/90/61/519339061.db2.gz CQJQEKAKLDZXQO-GOSISDBHSA-N 1 2 350.422 2.969 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000578016689 519373468 /nfs/dbraw/zinc/37/34/68/519373468.db2.gz HQCMHNUHMMQAEH-ZENOOKHLSA-N 1 2 355.360 2.649 20 30 FFEDLO CCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CC(=O)N(C)C1=O ZINC000569123897 519391573 /nfs/dbraw/zinc/39/15/73/519391573.db2.gz UGGCTQBYZMPHCI-OAHLLOKOSA-N 1 2 352.356 2.526 20 30 FFEDLO CCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CC(=O)N(C)C1=O ZINC000569123897 519391578 /nfs/dbraw/zinc/39/15/78/519391578.db2.gz UGGCTQBYZMPHCI-OAHLLOKOSA-N 1 2 352.356 2.526 20 30 FFEDLO Cc1nnc([C@H]2CC[N@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)[nH]1 ZINC000578118734 519427618 /nfs/dbraw/zinc/42/76/18/519427618.db2.gz HKLKNTMRVHVKDG-AWEZNQCLSA-N 1 2 372.860 2.503 20 30 FFEDLO Cc1nnc([C@H]2CC[N@@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)[nH]1 ZINC000578118734 519427627 /nfs/dbraw/zinc/42/76/27/519427627.db2.gz HKLKNTMRVHVKDG-AWEZNQCLSA-N 1 2 372.860 2.503 20 30 FFEDLO Cc1n[nH]c([C@H]2CC[N@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)n1 ZINC000578118734 519427638 /nfs/dbraw/zinc/42/76/38/519427638.db2.gz HKLKNTMRVHVKDG-AWEZNQCLSA-N 1 2 372.860 2.503 20 30 FFEDLO Cc1n[nH]c([C@H]2CC[N@@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)n1 ZINC000578118734 519427644 /nfs/dbraw/zinc/42/76/44/519427644.db2.gz HKLKNTMRVHVKDG-AWEZNQCLSA-N 1 2 372.860 2.503 20 30 FFEDLO Cc1nc([C@H]2CC[N@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)n[nH]1 ZINC000578118734 519427650 /nfs/dbraw/zinc/42/76/50/519427650.db2.gz HKLKNTMRVHVKDG-AWEZNQCLSA-N 1 2 372.860 2.503 20 30 FFEDLO Cc1nc([C@H]2CC[N@@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)n[nH]1 ZINC000578118734 519427659 /nfs/dbraw/zinc/42/76/59/519427659.db2.gz HKLKNTMRVHVKDG-AWEZNQCLSA-N 1 2 372.860 2.503 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(-c2cnc3ccccc3n2)cc1 ZINC000574971588 519429883 /nfs/dbraw/zinc/42/98/83/519429883.db2.gz LLWUEVGNCIZIJG-KRWDZBQOSA-N 1 2 362.433 2.882 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(-c2cnc3ccccc3n2)cc1 ZINC000574971588 519429888 /nfs/dbraw/zinc/42/98/88/519429888.db2.gz LLWUEVGNCIZIJG-KRWDZBQOSA-N 1 2 362.433 2.882 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2cc(Br)ccc2o1 ZINC000569247920 519452892 /nfs/dbraw/zinc/45/28/92/519452892.db2.gz FCUIFCXOKSXDSL-OAHLLOKOSA-N 1 2 350.216 2.769 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000572291469 519539648 /nfs/dbraw/zinc/53/96/48/519539648.db2.gz OMQWFXWEXBKXGA-FQEVSTJZSA-N 1 2 368.412 2.652 20 30 FFEDLO C=CCC[C@H]1NC(=O)N([C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1=O ZINC000581241393 519595282 /nfs/dbraw/zinc/59/52/82/519595282.db2.gz QEUJHYFKHKTWFI-SUMWQHHRSA-N 1 2 363.408 2.816 20 30 FFEDLO C=CCC[C@H]1NC(=O)N([C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1=O ZINC000581241393 519595287 /nfs/dbraw/zinc/59/52/87/519595287.db2.gz QEUJHYFKHKTWFI-SUMWQHHRSA-N 1 2 363.408 2.816 20 30 FFEDLO C[C@H]1C[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H](C)N1CC#N ZINC000602855467 519928398 /nfs/dbraw/zinc/92/83/98/519928398.db2.gz UYKRLIGARVEYBG-GJZGRUSLSA-N 1 2 351.372 2.855 20 30 FFEDLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857752 519928802 /nfs/dbraw/zinc/92/88/02/519928802.db2.gz USHCOHBMSKPEFF-KDURUIRLSA-N 1 2 356.514 2.652 20 30 FFEDLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857752 519928812 /nfs/dbraw/zinc/92/88/12/519928812.db2.gz USHCOHBMSKPEFF-KDURUIRLSA-N 1 2 356.514 2.652 20 30 FFEDLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602859310 519931631 /nfs/dbraw/zinc/93/16/31/519931631.db2.gz FBXBPXIFBVGEBF-BZUAXINKSA-N 1 2 362.905 2.778 20 30 FFEDLO CCOc1ccccc1[C@H](CC)NC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602861847 519933664 /nfs/dbraw/zinc/93/36/64/519933664.db2.gz MDUOJMGIPKHYSE-LNLFQRSKSA-N 1 2 372.513 2.571 20 30 FFEDLO Cc1ccc(S(=O)(=O)N[C@@H](C[NH2+][C@H](C)CC#N)c2ccccc2)cc1 ZINC000602869969 519937401 /nfs/dbraw/zinc/93/74/01/519937401.db2.gz RGFUBYNUCUQBNL-APWZRJJASA-N 1 2 357.479 2.906 20 30 FFEDLO CN1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C(C)(C)C ZINC000602874736 519942528 /nfs/dbraw/zinc/94/25/28/519942528.db2.gz SQTQVFXKHIVXOE-RTBURBONSA-N 1 2 354.498 2.716 20 30 FFEDLO CN1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C(C)(C)C ZINC000602874736 519942535 /nfs/dbraw/zinc/94/25/35/519942535.db2.gz SQTQVFXKHIVXOE-RTBURBONSA-N 1 2 354.498 2.716 20 30 FFEDLO CC[C@@H](C(=O)NC1(c2ccc(C#N)cc2)CCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000594403841 519944425 /nfs/dbraw/zinc/94/44/25/519944425.db2.gz QKKKVPHCGSCZLC-MOPGFXCFSA-N 1 2 355.482 2.943 20 30 FFEDLO CC[C@@H](C(=O)NC1(c2ccc(C#N)cc2)CCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000594403841 519944432 /nfs/dbraw/zinc/94/44/32/519944432.db2.gz QKKKVPHCGSCZLC-MOPGFXCFSA-N 1 2 355.482 2.943 20 30 FFEDLO CCOc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cc1OC ZINC000602977932 520002461 /nfs/dbraw/zinc/00/24/61/520002461.db2.gz IYPULTWTIFFGKM-BHYGNILZSA-N 1 2 359.470 2.895 20 30 FFEDLO CCOc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1OC ZINC000602977932 520002473 /nfs/dbraw/zinc/00/24/73/520002473.db2.gz IYPULTWTIFFGKM-BHYGNILZSA-N 1 2 359.470 2.895 20 30 FFEDLO COc1c(C)[nH+]cnc1N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000594549412 520021055 /nfs/dbraw/zinc/02/10/55/520021055.db2.gz SVTYHLVABBXJKS-UHFFFAOYSA-N 1 2 360.421 2.540 20 30 FFEDLO N#Cc1ccc(OCc2ccc(C(=O)N3CC[NH+](CCCF)CC3)o2)cc1 ZINC000600071542 520031232 /nfs/dbraw/zinc/03/12/32/520031232.db2.gz DLAIAHVRMGKEQW-UHFFFAOYSA-N 1 2 371.412 2.848 20 30 FFEDLO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2ccc(C#N)cc2F)n1 ZINC000594582700 520037561 /nfs/dbraw/zinc/03/75/61/520037561.db2.gz WKIJMCCOUJTFLX-UHFFFAOYSA-N 1 2 368.459 2.796 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cnn4ccccc34)CC2)cc1 ZINC000603057860 520055916 /nfs/dbraw/zinc/05/59/16/520055916.db2.gz SNITUJKTXOUHHX-UHFFFAOYSA-N 1 2 360.421 2.556 20 30 FFEDLO N#Cc1ccc(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)cc1Cl ZINC000597622600 520142197 /nfs/dbraw/zinc/14/21/97/520142197.db2.gz XAPXEGYNTMUWBB-UHFFFAOYSA-N 1 2 359.817 2.511 20 30 FFEDLO C[C@H](CC#N)C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000597645345 520153530 /nfs/dbraw/zinc/15/35/30/520153530.db2.gz VLZFWDBTZWBNRS-GFCCVEGCSA-N 1 2 365.231 2.817 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000609075693 520185853 /nfs/dbraw/zinc/18/58/53/520185853.db2.gz WMYJZLSQIBTNPR-UHFFFAOYSA-N 1 2 351.450 2.763 20 30 FFEDLO N#Cc1cnccc1C[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000592120870 520197889 /nfs/dbraw/zinc/19/78/89/520197889.db2.gz GYGGGUDIOJBVBG-UHFFFAOYSA-N 1 2 372.428 2.772 20 30 FFEDLO N#Cc1cnccc1C[N@@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000592120870 520197894 /nfs/dbraw/zinc/19/78/94/520197894.db2.gz GYGGGUDIOJBVBG-UHFFFAOYSA-N 1 2 372.428 2.772 20 30 FFEDLO CN(C)c1cc(NC(=O)CC2(C#N)CCOCC2)[nH+]cc1Br ZINC000597738912 520207080 /nfs/dbraw/zinc/20/70/80/520207080.db2.gz UTWZXGHLLJKPEZ-UHFFFAOYSA-N 1 2 367.247 2.559 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000592148636 520227544 /nfs/dbraw/zinc/22/75/44/520227544.db2.gz XZSXFJBZYXHHAO-OAHLLOKOSA-N 1 2 352.316 2.606 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000592148636 520227550 /nfs/dbraw/zinc/22/75/50/520227550.db2.gz XZSXFJBZYXHHAO-OAHLLOKOSA-N 1 2 352.316 2.606 20 30 FFEDLO CC(C)c1ccc([C@@H](NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)C(C)C)cc1 ZINC000592148672 520227690 /nfs/dbraw/zinc/22/76/90/520227690.db2.gz YVVBDOCBHPZCJR-LEWJYISDSA-N 1 2 357.498 2.974 20 30 FFEDLO CC(C)c1ccc([C@@H](NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)C(C)C)cc1 ZINC000592148672 520227695 /nfs/dbraw/zinc/22/76/95/520227695.db2.gz YVVBDOCBHPZCJR-LEWJYISDSA-N 1 2 357.498 2.974 20 30 FFEDLO N#CC1(CS(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCCCC1 ZINC000613076459 520303813 /nfs/dbraw/zinc/30/38/13/520303813.db2.gz OKHFPGFBCFRARZ-UHFFFAOYSA-N 1 2 362.499 2.575 20 30 FFEDLO Cc1[nH+]c(NCc2ccc(C#N)cc2)nc(NCc2ccc(C#N)cc2)c1F ZINC000613076369 520303952 /nfs/dbraw/zinc/30/39/52/520303952.db2.gz URDSPZMUNXKDHW-UHFFFAOYSA-N 1 2 372.407 2.735 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000609484310 520326399 /nfs/dbraw/zinc/32/63/99/520326399.db2.gz AHICNQXZSSKSBD-TXPKVOOTSA-N 1 2 360.477 2.557 20 30 FFEDLO CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609485913 520328956 /nfs/dbraw/zinc/32/89/56/520328956.db2.gz ZXHAMBVBWMAIQK-OAQYLSRUSA-N 1 2 370.541 2.899 20 30 FFEDLO Cc1c[nH+]c2cc(C(=O)N3CCN(c4ccsc4C#N)CC3)ccn12 ZINC000597941242 520340350 /nfs/dbraw/zinc/34/03/50/520340350.db2.gz JKPAHKWGBCUUGD-UHFFFAOYSA-N 1 2 351.435 2.538 20 30 FFEDLO CCOC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CCOc1ccc(C#N)cc1 ZINC000600588799 520347756 /nfs/dbraw/zinc/34/77/56/520347756.db2.gz HINKMBOXMHQNGG-LJQANCHMSA-N 1 2 356.397 2.840 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000597992818 520366595 /nfs/dbraw/zinc/36/65/95/520366595.db2.gz DBGRQSDBRRZJQS-CHWSQXEVSA-N 1 2 357.479 2.920 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000597992818 520366599 /nfs/dbraw/zinc/36/65/99/520366599.db2.gz DBGRQSDBRRZJQS-CHWSQXEVSA-N 1 2 357.479 2.920 20 30 FFEDLO N#Cc1cccc(CC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1 ZINC000600678889 520393984 /nfs/dbraw/zinc/39/39/84/520393984.db2.gz OLARILWHKWZYFO-UHFFFAOYSA-N 1 2 358.445 2.926 20 30 FFEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000595356041 520426671 /nfs/dbraw/zinc/42/66/71/520426671.db2.gz URNOKLWEAGFSAE-UHFFFAOYSA-N 1 2 365.393 2.994 20 30 FFEDLO N#Cc1cc(N2CC[NH+](CC(=O)Nc3ccccc3)CC2)nc2ccccc12 ZINC000609890946 520471440 /nfs/dbraw/zinc/47/14/40/520471440.db2.gz KBGKBAJWXUAELR-UHFFFAOYSA-N 1 2 371.444 2.867 20 30 FFEDLO CC(C)[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](O)C(F)(F)F ZINC000595480866 520498200 /nfs/dbraw/zinc/49/82/00/520498200.db2.gz BWAIWUIMJCHVMI-KBPBESRZSA-N 1 2 354.332 2.646 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1C#N ZINC000598222059 520503574 /nfs/dbraw/zinc/50/35/74/520503574.db2.gz ZOIBAUKIZYIFBS-CYBMUJFWSA-N 1 2 360.483 2.518 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1C#N ZINC000598222059 520503582 /nfs/dbraw/zinc/50/35/82/520503582.db2.gz ZOIBAUKIZYIFBS-CYBMUJFWSA-N 1 2 360.483 2.518 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](c3ccccn3)C2)C1=O ZINC000595502414 520512170 /nfs/dbraw/zinc/51/21/70/520512170.db2.gz UDFFTJKXFKFKBL-RDJZCZTQSA-N 1 2 352.463 3.000 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](c3ccccn3)C2)C1=O ZINC000595502414 520512182 /nfs/dbraw/zinc/51/21/82/520512182.db2.gz UDFFTJKXFKFKBL-RDJZCZTQSA-N 1 2 352.463 3.000 20 30 FFEDLO N#CC[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000595609715 520590206 /nfs/dbraw/zinc/59/02/06/520590206.db2.gz OEHSPLHBPJVDOG-CYBMUJFWSA-N 1 2 371.300 2.848 20 30 FFEDLO N#CC[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000595609715 520590211 /nfs/dbraw/zinc/59/02/11/520590211.db2.gz OEHSPLHBPJVDOG-CYBMUJFWSA-N 1 2 371.300 2.848 20 30 FFEDLO Cc1ccc([C@@H](CNC(=O)c2ccccc2CC#N)[NH+]2CCOCC2)cc1 ZINC000601006361 520590723 /nfs/dbraw/zinc/59/07/23/520590723.db2.gz YQOVXWCOTFPYAO-OAQYLSRUSA-N 1 2 363.461 2.864 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCc1ccc(C#N)cc1 ZINC000595695160 520655419 /nfs/dbraw/zinc/65/54/19/520655419.db2.gz PBYGFXPJBXUHPR-UHFFFAOYSA-N 1 2 353.470 2.981 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000610390828 520661582 /nfs/dbraw/zinc/66/15/82/520661582.db2.gz VTZFQJVMQPNHOW-HNNXBMFYSA-N 1 2 355.467 2.774 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000610390828 520661587 /nfs/dbraw/zinc/66/15/87/520661587.db2.gz VTZFQJVMQPNHOW-HNNXBMFYSA-N 1 2 355.467 2.774 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cnc2c(cccc2C(F)(F)F)c1 ZINC000592997893 520675879 /nfs/dbraw/zinc/67/58/79/520675879.db2.gz LWVMIIUDSRLJNG-CYBMUJFWSA-N 1 2 353.344 2.839 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cnc2c(cccc2C(F)(F)F)c1 ZINC000592997893 520675887 /nfs/dbraw/zinc/67/58/87/520675887.db2.gz LWVMIIUDSRLJNG-CYBMUJFWSA-N 1 2 353.344 2.839 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000593041331 520702718 /nfs/dbraw/zinc/70/27/18/520702718.db2.gz RKRHDCFIPPFLOE-HXUWFJFHSA-N 1 2 361.445 2.772 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000593041331 520702725 /nfs/dbraw/zinc/70/27/25/520702725.db2.gz RKRHDCFIPPFLOE-HXUWFJFHSA-N 1 2 361.445 2.772 20 30 FFEDLO C[C@]1(CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1(F)F ZINC000595778026 520717456 /nfs/dbraw/zinc/71/74/56/520717456.db2.gz NREUYJWENHIETN-SFHVURJKSA-N 1 2 362.424 2.821 20 30 FFEDLO N#CC1(NC(=O)C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)CCCCC1 ZINC000595827487 520750635 /nfs/dbraw/zinc/75/06/35/520750635.db2.gz COIOSHIWBHVORG-CQSZACIVSA-N 1 2 370.280 2.959 20 30 FFEDLO C[C@@H]([NH2+][C@@H](CO)c1cccc(Cl)c1Cl)C(=O)NC1(C#N)CCC1 ZINC000595828053 520752003 /nfs/dbraw/zinc/75/20/03/520752003.db2.gz HSLBKLJWXHVOTL-MFKMUULPSA-N 1 2 356.253 2.567 20 30 FFEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCOc2cc(Br)ccc2C1 ZINC000598628954 520752090 /nfs/dbraw/zinc/75/20/90/520752090.db2.gz VNMPLIDKKLVYIR-CQSZACIVSA-N 1 2 353.260 2.944 20 30 FFEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCOc2cc(Br)ccc2C1 ZINC000598628954 520752092 /nfs/dbraw/zinc/75/20/92/520752092.db2.gz VNMPLIDKKLVYIR-CQSZACIVSA-N 1 2 353.260 2.944 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CSc1ccc2c3c(cccc31)CC2 ZINC000593155784 520784718 /nfs/dbraw/zinc/78/47/18/520784718.db2.gz ZAVWRVVBNNNHSC-HXUWFJFHSA-N 1 2 353.491 2.991 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000610764354 520833627 /nfs/dbraw/zinc/83/36/27/520833627.db2.gz NVQZQOLPMDRJBN-SJLPKXTDSA-N 1 2 358.463 2.627 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000610764354 520833631 /nfs/dbraw/zinc/83/36/31/520833631.db2.gz NVQZQOLPMDRJBN-SJLPKXTDSA-N 1 2 358.463 2.627 20 30 FFEDLO Cc1ncc([C@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000601645491 520881195 /nfs/dbraw/zinc/88/11/95/520881195.db2.gz WWGJZBSRXXIQJO-AWEZNQCLSA-N 1 2 369.494 2.912 20 30 FFEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)NCC2(C#N)CCCC2)cc1 ZINC000593298525 520891900 /nfs/dbraw/zinc/89/19/00/520891900.db2.gz QGTVSZBNOXDLJC-LJQANCHMSA-N 1 2 370.497 2.752 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)c2cc(O)cc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000614304872 520899577 /nfs/dbraw/zinc/89/95/77/520899577.db2.gz VYHABTSJDASWNT-ZWKOTPCHSA-N 1 2 357.360 2.717 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)c2cc(O)cc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000614304872 520899580 /nfs/dbraw/zinc/89/95/80/520899580.db2.gz VYHABTSJDASWNT-ZWKOTPCHSA-N 1 2 357.360 2.717 20 30 FFEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3n[nH]c(C)c3C#N)c2C1 ZINC000601678909 520900975 /nfs/dbraw/zinc/90/09/75/520900975.db2.gz HFJZORDAXQBIDM-UHFFFAOYSA-N 1 2 360.421 2.768 20 30 FFEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3n[nH]c(C)c3C#N)c2C1 ZINC000601678909 520900981 /nfs/dbraw/zinc/90/09/81/520900981.db2.gz HFJZORDAXQBIDM-UHFFFAOYSA-N 1 2 360.421 2.768 20 30 FFEDLO N#Cc1c(F)cc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1F ZINC000601855819 520991296 /nfs/dbraw/zinc/99/12/96/520991296.db2.gz REGROEBYLLASJL-UHFFFAOYSA-N 1 2 374.416 2.715 20 30 FFEDLO CO[C@@H](C)c1nsc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000593514499 521041511 /nfs/dbraw/zinc/04/15/11/521041511.db2.gz DDDHIUUUXXBQBV-ZDUSSCGKSA-N 1 2 357.483 2.616 20 30 FFEDLO CC(C)(C#N)c1ccc(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000593528574 521052008 /nfs/dbraw/zinc/05/20/08/521052008.db2.gz DLGKEENUFNBPCZ-UHFFFAOYSA-N 1 2 372.494 2.542 20 30 FFEDLO CC(C)(C#N)c1ccc(S(=O)(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000593536718 521059188 /nfs/dbraw/zinc/05/91/88/521059188.db2.gz GWLPOIIMCPQFNN-UHFFFAOYSA-N 1 2 369.490 2.782 20 30 FFEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000593557330 521074966 /nfs/dbraw/zinc/07/49/66/521074966.db2.gz BQGGQXQCEOFTSZ-UHFFFAOYSA-N 1 2 358.467 2.779 20 30 FFEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000593587102 521092623 /nfs/dbraw/zinc/09/26/23/521092623.db2.gz RVZCZBIHIPUUSA-QGZVFWFLSA-N 1 2 371.462 2.725 20 30 FFEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1C#N ZINC000611377131 521126293 /nfs/dbraw/zinc/12/62/93/521126293.db2.gz LQFCGHMKSXHAJI-ZDUSSCGKSA-N 1 2 372.446 2.599 20 30 FFEDLO CN(C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)[C@H]1CCC[C@H]1C#N ZINC000602073994 521127053 /nfs/dbraw/zinc/12/70/53/521127053.db2.gz HSAKMZFGDQLETN-KSSFIOAISA-N 1 2 364.405 2.963 20 30 FFEDLO COc1ccc(C[N@@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)cc1OCCCC#N ZINC000593699019 521164817 /nfs/dbraw/zinc/16/48/17/521164817.db2.gz ZDSFEAHADLNHHJ-VQIMIIECSA-N 1 2 360.454 2.756 20 30 FFEDLO COc1ccc(C[N@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)cc1OCCCC#N ZINC000593699019 521164822 /nfs/dbraw/zinc/16/48/22/521164822.db2.gz ZDSFEAHADLNHHJ-VQIMIIECSA-N 1 2 360.454 2.756 20 30 FFEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000614922236 521195700 /nfs/dbraw/zinc/19/57/00/521195700.db2.gz NPSNVFVMXKWVLI-WBMJQRKESA-N 1 2 355.360 2.929 20 30 FFEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000614922236 521195704 /nfs/dbraw/zinc/19/57/04/521195704.db2.gz NPSNVFVMXKWVLI-WBMJQRKESA-N 1 2 355.360 2.929 20 30 FFEDLO CCCN(CCC)C(=O)C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551946 521215595 /nfs/dbraw/zinc/21/55/95/521215595.db2.gz XVMIRFIVLWCGRH-LJQANCHMSA-N 1 2 360.477 2.657 20 30 FFEDLO CCC(CC)[C@@H](C(=O)N[C@H]1CCc2cc(C#N)ccc21)[NH+]1CCOCC1 ZINC000618893112 521280189 /nfs/dbraw/zinc/28/01/89/521280189.db2.gz WTKVUYQBWWBXLF-PMACEKPBSA-N 1 2 355.482 2.799 20 30 FFEDLO CCC(CC)[C@H](C(=O)N[C@H]1CCc2cc(C#N)ccc21)[NH+]1CCOCC1 ZINC000618893114 521280713 /nfs/dbraw/zinc/28/07/13/521280713.db2.gz WTKVUYQBWWBXLF-VQTJNVASSA-N 1 2 355.482 2.799 20 30 FFEDLO COc1cc(C#N)ccc1NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000596839595 521325095 /nfs/dbraw/zinc/32/50/95/521325095.db2.gz UBDZACRIDCJHTC-UHFFFAOYSA-N 1 2 351.410 2.884 20 30 FFEDLO Cc1cnc(OC2CC[NH+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)nc1 ZINC000594020931 521353997 /nfs/dbraw/zinc/35/39/97/521353997.db2.gz LRJSHHODGXCEQW-OAHLLOKOSA-N 1 2 365.437 2.527 20 30 FFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(S(N)(=O)=O)cc1 ZINC000602488001 521375452 /nfs/dbraw/zinc/37/54/52/521375452.db2.gz YAVNKYLFACZRBR-OALUTQOASA-N 1 2 355.463 2.606 20 30 FFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(S(N)(=O)=O)cc1 ZINC000602488001 521375460 /nfs/dbraw/zinc/37/54/60/521375460.db2.gz YAVNKYLFACZRBR-OALUTQOASA-N 1 2 355.463 2.606 20 30 FFEDLO COC(=O)c1ccccc1NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677567 521392060 /nfs/dbraw/zinc/39/20/60/521392060.db2.gz MKZFORBDZCNDAX-UHFFFAOYSA-N 1 2 363.417 2.536 20 30 FFEDLO COC(=O)c1ccccc1NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677567 521392069 /nfs/dbraw/zinc/39/20/69/521392069.db2.gz MKZFORBDZCNDAX-UHFFFAOYSA-N 1 2 363.417 2.536 20 30 FFEDLO CCCn1nccc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000596984125 521425230 /nfs/dbraw/zinc/42/52/30/521425230.db2.gz QFDMBGBSJKYMHN-UHFFFAOYSA-N 1 2 366.425 2.735 20 30 FFEDLO C=CC[N@H+](C[C@H]1CNc2ccnn2C1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000619266738 521483913 /nfs/dbraw/zinc/48/39/13/521483913.db2.gz SSBSKHNFJGTHNX-RTBURBONSA-N 1 2 368.481 2.587 20 30 FFEDLO C=CC[N@@H+](C[C@H]1CNc2ccnn2C1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000619266738 521483919 /nfs/dbraw/zinc/48/39/19/521483919.db2.gz SSBSKHNFJGTHNX-RTBURBONSA-N 1 2 368.481 2.587 20 30 FFEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCCO1 ZINC000594281139 521533163 /nfs/dbraw/zinc/53/31/63/521533163.db2.gz BZTHMLNPJZEBCE-PMACEKPBSA-N 1 2 370.497 2.733 20 30 FFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000594285823 521538035 /nfs/dbraw/zinc/53/80/35/521538035.db2.gz GJONCVWUQAQDDZ-IINYFYTJSA-N 1 2 352.316 2.868 20 30 FFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000594285823 521538039 /nfs/dbraw/zinc/53/80/39/521538039.db2.gz GJONCVWUQAQDDZ-IINYFYTJSA-N 1 2 352.316 2.868 20 30 FFEDLO N#CCc1cccc(S(=O)(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000619476858 521588693 /nfs/dbraw/zinc/58/86/93/521588693.db2.gz VAAUARRMHIUFIA-UHFFFAOYSA-N 1 2 370.478 2.616 20 30 FFEDLO C[C@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000619679874 521823513 /nfs/dbraw/zinc/82/35/13/521823513.db2.gz BRLNQWUZSYKUNK-HNNXBMFYSA-N 1 2 366.446 2.843 20 30 FFEDLO Cn1cc(-c2nc(C[NH+]3CCC(C#N)(c4ccccn4)CC3)cs2)cn1 ZINC000619722916 521839160 /nfs/dbraw/zinc/83/91/60/521839160.db2.gz BCBLMSPNJGSDLK-UHFFFAOYSA-N 1 2 364.478 2.996 20 30 FFEDLO N#Cc1cc(O)cc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000619729368 521840268 /nfs/dbraw/zinc/84/02/68/521840268.db2.gz VGKGACVCMDGPLO-OAHLLOKOSA-N 1 2 350.422 2.816 20 30 FFEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1CC#Cc1ccc(Cl)cc1 ZINC000625496398 523481550 /nfs/dbraw/zinc/48/15/50/523481550.db2.gz PIJJJOOYRSHJTA-LJQANCHMSA-N 1 2 351.841 2.796 20 30 FFEDLO N#Cc1cc(NCc2ccc(N3CCOCC3)[nH+]c2)ncc1Br ZINC000603273982 553749990 /nfs/dbraw/zinc/74/99/90/553749990.db2.gz TYBAADXRUCTFJD-UHFFFAOYSA-N 1 2 374.242 2.559 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c1C#N ZINC000530261646 562404578 /nfs/dbraw/zinc/40/45/78/562404578.db2.gz OJNSTPSYXOPFBF-OAUYIBNBSA-N 1 2 369.856 2.611 20 30 FFEDLO C=CC[NH+]1CCN(C(F)(F)Cc2nc3c(ncnc3Cl)s2)CC1 ZINC001165035170 721874080 /nfs/dbraw/zinc/87/40/80/721874080.db2.gz SUNMOUULYNGRPX-UHFFFAOYSA-N 1 2 359.833 2.679 20 30 FFEDLO C#CCSCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000152891919 728767971 /nfs/dbraw/zinc/76/79/71/728767971.db2.gz OARBREIETAGRTN-QZTJIDSGSA-N 1 2 354.479 2.777 20 30 FFEDLO Cc1cccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1C#N ZINC000156800990 728859269 /nfs/dbraw/zinc/85/92/69/728859269.db2.gz HOCLQSZZZZCXPJ-UHFFFAOYSA-N 1 2 352.419 2.531 20 30 FFEDLO C=CC[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)CC)ccc2Cl)CC1 ZINC000172380212 729024309 /nfs/dbraw/zinc/02/43/09/729024309.db2.gz ZBNDNDXVFFYFOD-UHFFFAOYSA-N 1 2 370.902 2.514 20 30 FFEDLO C#CCCCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000245767961 729575562 /nfs/dbraw/zinc/57/55/62/729575562.db2.gz RRFPOKLEYYCKBV-ROUUACIJSA-N 1 2 363.889 2.814 20 30 FFEDLO C#CCCCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000245767961 729575565 /nfs/dbraw/zinc/57/55/65/729575565.db2.gz RRFPOKLEYYCKBV-ROUUACIJSA-N 1 2 363.889 2.814 20 30 FFEDLO C[C@H](CNC(=O)Nc1nc2c(s1)CCCC2(C)C)[NH+]1CCOCC1 ZINC000329495734 729797597 /nfs/dbraw/zinc/79/75/97/729797597.db2.gz FTEHLSZGEQJDEJ-GFCCVEGCSA-N 1 2 352.504 2.804 20 30 FFEDLO CC[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cccc(C#N)c1O ZINC000924784422 738449153 /nfs/dbraw/zinc/44/91/53/738449153.db2.gz DMYNWWRVGBMMRC-HKUYNNGSSA-N 1 2 361.511 2.512 20 30 FFEDLO C[N@H+](CCOCCNC(=O)OC(C)(C)C)Cc1ccc(F)cc1C#N ZINC000859856969 730467613 /nfs/dbraw/zinc/46/76/13/730467613.db2.gz AYVPZNYPDTXLAA-UHFFFAOYSA-N 1 2 351.422 2.670 20 30 FFEDLO C[N@@H+](CCOCCNC(=O)OC(C)(C)C)Cc1ccc(F)cc1C#N ZINC000859856969 730467614 /nfs/dbraw/zinc/46/76/14/730467614.db2.gz AYVPZNYPDTXLAA-UHFFFAOYSA-N 1 2 351.422 2.670 20 30 FFEDLO C=CC[C@@H]1CC[N@@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000862441294 730702776 /nfs/dbraw/zinc/70/27/76/730702776.db2.gz QGCMDIMPMXSNCX-ZIAGYGMSSA-N 1 2 357.907 2.603 20 30 FFEDLO C=CC[C@@H]1CC[N@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000862441294 730702779 /nfs/dbraw/zinc/70/27/79/730702779.db2.gz QGCMDIMPMXSNCX-ZIAGYGMSSA-N 1 2 357.907 2.603 20 30 FFEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000867680452 731212757 /nfs/dbraw/zinc/21/27/57/731212757.db2.gz MVIUILRDNAWKDY-UHFFFAOYSA-N 1 2 359.451 2.716 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)nn1 ZINC000653612238 731278145 /nfs/dbraw/zinc/27/81/45/731278145.db2.gz FKXMPLDWVAFLRX-AWEZNQCLSA-N 1 2 354.380 2.907 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)nn1 ZINC000653612238 731278147 /nfs/dbraw/zinc/27/81/47/731278147.db2.gz FKXMPLDWVAFLRX-AWEZNQCLSA-N 1 2 354.380 2.907 20 30 FFEDLO CSc1nnc(SC)n1[NH+]=C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000872418019 731763854 /nfs/dbraw/zinc/76/38/54/731763854.db2.gz XPRVEMUJEWGKQE-SNVBAGLBSA-N 1 2 370.525 2.763 20 30 FFEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C)cc1C#N ZINC000872511665 731783612 /nfs/dbraw/zinc/78/36/12/731783612.db2.gz UFRPFTVVTSVLKD-UHFFFAOYSA-N 1 2 359.451 2.884 20 30 FFEDLO N#Cc1ccc([C@@H](O)C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000780905664 738587266 /nfs/dbraw/zinc/58/72/66/738587266.db2.gz WUBSGQSADOLUSJ-MRXNPFEDSA-N 1 2 356.451 2.673 20 30 FFEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c1 ZINC000877515067 732377973 /nfs/dbraw/zinc/37/79/73/732377973.db2.gz TULAQMSFJLRCIV-LLVKDONJSA-N 1 2 374.794 2.887 20 30 FFEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c1 ZINC000877515067 732377978 /nfs/dbraw/zinc/37/79/78/732377978.db2.gz TULAQMSFJLRCIV-LLVKDONJSA-N 1 2 374.794 2.887 20 30 FFEDLO N#Cc1ccc(C2CC[NH+](CC(=O)Nc3ccc(Cl)nc3)CC2)nc1 ZINC000879024565 732633224 /nfs/dbraw/zinc/63/32/24/732633224.db2.gz YNHWHKBGRVXNJL-UHFFFAOYSA-N 1 2 355.829 2.820 20 30 FFEDLO COCC#CCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000677130458 733916210 /nfs/dbraw/zinc/91/62/10/733916210.db2.gz GAWDOHTVGXLMRK-UHFFFAOYSA-N 1 2 356.495 2.664 20 30 FFEDLO Cc1nnc(CO[NH+]=C(N)c2ccc(Br)cc2)n1C1CC1 ZINC000782949834 738767713 /nfs/dbraw/zinc/76/77/13/738767713.db2.gz NJZDWUFMSPLNHC-UHFFFAOYSA-N 1 2 350.220 2.521 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2nc(Cl)c(C#N)s2)C1 ZINC000888419621 734052759 /nfs/dbraw/zinc/05/27/59/734052759.db2.gz WVVSAYLWSKHYBW-VIFPVBQESA-N 1 2 350.835 2.813 20 30 FFEDLO C=CCSc1nc2ccccc2n1C[NH+]1CCN(CCOCC)CC1 ZINC000732180853 734720872 /nfs/dbraw/zinc/72/08/72/734720872.db2.gz QATPTSVPXNHARS-UHFFFAOYSA-N 1 2 360.527 2.926 20 30 FFEDLO C[C@]1(C#N)CCC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000784012202 738855384 /nfs/dbraw/zinc/85/53/84/738855384.db2.gz HDTVEHSIEBISLE-MRXNPFEDSA-N 1 2 361.243 2.742 20 30 FFEDLO C[C@]1(C#N)CCC[N@@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000784012202 738855387 /nfs/dbraw/zinc/85/53/87/738855387.db2.gz HDTVEHSIEBISLE-MRXNPFEDSA-N 1 2 361.243 2.742 20 30 FFEDLO CCC[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000735308753 734939947 /nfs/dbraw/zinc/93/99/47/734939947.db2.gz RGIUBCHSRLNCIP-HNNXBMFYSA-N 1 2 356.875 2.641 20 30 FFEDLO CCC[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000735308753 734939952 /nfs/dbraw/zinc/93/99/52/734939952.db2.gz RGIUBCHSRLNCIP-HNNXBMFYSA-N 1 2 356.875 2.641 20 30 FFEDLO C=C(C)C[C@@H]([NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)OCC ZINC000895593194 735028962 /nfs/dbraw/zinc/02/89/62/735028962.db2.gz XRWUDWTVQODPCL-WMLDXEAASA-N 1 2 353.484 2.681 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCCc1ccccc1S(C)(=O)=O ZINC000896016805 735088834 /nfs/dbraw/zinc/08/88/34/735088834.db2.gz SERLFOMKYKGKCK-UHFFFAOYSA-N 1 2 358.463 2.932 20 30 FFEDLO CCCCCCCC[NH+]1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000740873451 735094341 /nfs/dbraw/zinc/09/43/41/735094341.db2.gz BFSYYCYGRXVGMA-UHFFFAOYSA-N 1 2 357.520 2.958 20 30 FFEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3cccc(NS(C)(=O)=O)c3)n21 ZINC000748997218 735687764 /nfs/dbraw/zinc/68/77/64/735687764.db2.gz HRKIWZBRVKKAIT-MDZDMXLPSA-N 1 2 355.419 2.910 20 30 FFEDLO CSc1cccc(NC(=O)CO[NH+]=C(N)c2ccc3c(c2)CCO3)c1 ZINC000753831167 736098703 /nfs/dbraw/zinc/09/87/03/736098703.db2.gz YYDKSQLAHMWYSB-UHFFFAOYSA-N 1 2 357.435 2.619 20 30 FFEDLO COc1ccc(CC2N=NC(=S)N2N=C2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000753955495 736110220 /nfs/dbraw/zinc/11/02/20/736110220.db2.gz NHYWJZVLFBNBKV-LBPRGKRZSA-N 1 2 357.483 2.627 20 30 FFEDLO COc1ccc(CC2N=NC(=S)N2N=C2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000753955495 736110223 /nfs/dbraw/zinc/11/02/23/736110223.db2.gz NHYWJZVLFBNBKV-LBPRGKRZSA-N 1 2 357.483 2.627 20 30 FFEDLO CC(N=Nc1ccncc1Cl)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000756837814 736365481 /nfs/dbraw/zinc/36/54/81/736365481.db2.gz DOPXTJYUKMKAEE-UHFFFAOYSA-N 1 2 360.845 2.531 20 30 FFEDLO CC(=NNc1ccncc1Cl)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000756837814 736365485 /nfs/dbraw/zinc/36/54/85/736365485.db2.gz DOPXTJYUKMKAEE-UHFFFAOYSA-N 1 2 360.845 2.531 20 30 FFEDLO C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)c2ccc(OC)c(Cl)c2)CC1 ZINC000758460874 736491479 /nfs/dbraw/zinc/49/14/79/736491479.db2.gz JISVERYVJJJGML-CYBMUJFWSA-N 1 2 363.841 2.808 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000760215100 736622265 /nfs/dbraw/zinc/62/22/65/736622265.db2.gz GKFAPBKNQOTUEG-UHFFFAOYSA-N 1 2 357.198 2.508 20 30 FFEDLO C=C(C)CNC(=S)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000765519943 737128245 /nfs/dbraw/zinc/12/82/45/737128245.db2.gz JOMCHSFJSNPOID-JKSUJKDBSA-N 1 2 353.919 2.752 20 30 FFEDLO C=C(C)CNC(=S)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000765519943 737128247 /nfs/dbraw/zinc/12/82/47/737128247.db2.gz JOMCHSFJSNPOID-JKSUJKDBSA-N 1 2 353.919 2.752 20 30 FFEDLO C=CCNc1ncc(C(=O)N2CC[NH2+][C@H](c3cccc(OC)c3)C2)s1 ZINC000913482163 737410733 /nfs/dbraw/zinc/41/07/33/737410733.db2.gz HDGXEFABIVOGGL-HNNXBMFYSA-N 1 2 358.467 2.536 20 30 FFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000769975319 737587726 /nfs/dbraw/zinc/58/77/26/737587726.db2.gz CULLHKPCZCMIDE-LBPRGKRZSA-N 1 2 358.360 2.623 20 30 FFEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000769975319 737587728 /nfs/dbraw/zinc/58/77/28/737587728.db2.gz CULLHKPCZCMIDE-LBPRGKRZSA-N 1 2 358.360 2.623 20 30 FFEDLO NS(=O)(=O)c1ccccc1N[NH+]=Cc1ccc(N2CCCCC2)cc1 ZINC000773125520 737873838 /nfs/dbraw/zinc/87/38/38/737873838.db2.gz NDJMVFYMDGOYTH-UHFFFAOYSA-N 1 2 358.467 2.770 20 30 FFEDLO C=CCCc1ccc(S(=O)(=O)NCc2nc(C[NH+](C)C)cs2)cc1 ZINC000921084104 737944208 /nfs/dbraw/zinc/94/42/08/737944208.db2.gz TXJSNEGTUGXIQY-UHFFFAOYSA-N 1 2 365.524 2.802 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000776129748 738164448 /nfs/dbraw/zinc/16/44/48/738164448.db2.gz VFFBLSWNMYOCTE-SUMWQHHRSA-N 1 2 353.413 2.602 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NCC[N@H+]1CCO[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000776129748 738164453 /nfs/dbraw/zinc/16/44/53/738164453.db2.gz VFFBLSWNMYOCTE-SUMWQHHRSA-N 1 2 353.413 2.602 20 30 FFEDLO CC[C@@H]1C[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CCN1CC(F)F ZINC000930142462 739064921 /nfs/dbraw/zinc/06/49/21/739064921.db2.gz IJFSUKFRJWSAQI-MWLCHTKSSA-N 1 2 354.310 2.596 20 30 FFEDLO CC[C@@H]1C[N@@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CCN1CC(F)F ZINC000930142462 739064926 /nfs/dbraw/zinc/06/49/26/739064926.db2.gz IJFSUKFRJWSAQI-MWLCHTKSSA-N 1 2 354.310 2.596 20 30 FFEDLO N#C[C@H]1CCC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000932148119 739395709 /nfs/dbraw/zinc/39/57/09/739395709.db2.gz KNCUAJBSLJCGKB-BXUZGUMPSA-N 1 2 357.223 2.563 20 30 FFEDLO N#C[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000932148119 739395713 /nfs/dbraw/zinc/39/57/13/739395713.db2.gz KNCUAJBSLJCGKB-BXUZGUMPSA-N 1 2 357.223 2.563 20 30 FFEDLO C[NH+](C)Cc1csc(CNC(=O)Nc2cc(C#N)c(F)cc2F)n1 ZINC000932210290 739406201 /nfs/dbraw/zinc/40/62/01/739406201.db2.gz YQQNASNSCLGFKP-UHFFFAOYSA-N 1 2 351.382 2.676 20 30 FFEDLO CCOCc1ccccc1CNC(=O)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933774713 739688538 /nfs/dbraw/zinc/68/85/38/739688538.db2.gz DEMBBXASBNQQIZ-UHFFFAOYSA-N 1 2 357.479 2.904 20 30 FFEDLO CCOCc1ccccc1CNC(=O)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933774713 739688540 /nfs/dbraw/zinc/68/85/40/739688540.db2.gz DEMBBXASBNQQIZ-UHFFFAOYSA-N 1 2 357.479 2.904 20 30 FFEDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000933777444 739689007 /nfs/dbraw/zinc/68/90/07/739689007.db2.gz KCPHOQXCPQFVHX-UHFFFAOYSA-N 1 2 356.495 2.776 20 30 FFEDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000933777444 739689011 /nfs/dbraw/zinc/68/90/11/739689011.db2.gz KCPHOQXCPQFVHX-UHFFFAOYSA-N 1 2 356.495 2.776 20 30 FFEDLO COC(=O)c1cc(N[NH+]=Cc2cnc(N3CCOCC3)s2)ccc1C ZINC000793096807 739739009 /nfs/dbraw/zinc/73/90/09/739739009.db2.gz BAXAFCWJIUDHHC-UHFFFAOYSA-N 1 2 360.439 2.521 20 30 FFEDLO C[C@H]1CSCCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000934300715 739763137 /nfs/dbraw/zinc/76/31/37/739763137.db2.gz FEKQXIRJTRNITQ-AWEZNQCLSA-N 1 2 355.467 2.510 20 30 FFEDLO C[C@H]1CSCCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000934300715 739763142 /nfs/dbraw/zinc/76/31/42/739763142.db2.gz FEKQXIRJTRNITQ-AWEZNQCLSA-N 1 2 355.467 2.510 20 30 FFEDLO CCN(CCC#N)C(=O)C[NH+]1CCC(C(=O)c2ccccc2Cl)CC1 ZINC000934423670 739786859 /nfs/dbraw/zinc/78/68/59/739786859.db2.gz NSXSUVSBNDVLNV-UHFFFAOYSA-N 1 2 361.873 2.997 20 30 FFEDLO C[C@@H]1C[N@@H+](CCOCC(F)(F)C(F)F)C[C@H](C)N1CC(F)(F)F ZINC000934795045 739844583 /nfs/dbraw/zinc/84/45/83/739844583.db2.gz LZYHDCCBJABHTC-AOOOYVTPSA-N 1 2 354.310 2.860 20 30 FFEDLO C[C@@H]1C[N@H+](CCOCC(F)(F)C(F)F)C[C@H](C)N1CC(F)(F)F ZINC000934795045 739844585 /nfs/dbraw/zinc/84/45/85/739844585.db2.gz LZYHDCCBJABHTC-AOOOYVTPSA-N 1 2 354.310 2.860 20 30 FFEDLO COc1ccccc1C[C@H]1CCC[N@@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794622860 739911697 /nfs/dbraw/zinc/91/16/97/739911697.db2.gz HDTFUKYGWRLXKK-OAHLLOKOSA-N 1 2 357.483 2.690 20 30 FFEDLO COc1ccccc1C[C@H]1CCC[N@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794622860 739911699 /nfs/dbraw/zinc/91/16/99/739911699.db2.gz HDTFUKYGWRLXKK-OAHLLOKOSA-N 1 2 357.483 2.690 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nccs1 ZINC000960915120 740628124 /nfs/dbraw/zinc/62/81/24/740628124.db2.gz XDJTVUJDTSCARC-BQFCYCMXSA-N 1 2 363.527 2.937 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nccs1 ZINC000960915120 740628127 /nfs/dbraw/zinc/62/81/27/740628127.db2.gz XDJTVUJDTSCARC-BQFCYCMXSA-N 1 2 363.527 2.937 20 30 FFEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC000969690398 740736973 /nfs/dbraw/zinc/73/69/73/740736973.db2.gz OIWMTBVFAFUBAZ-ATZDWAIDSA-N 1 2 362.901 2.996 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC000969685372 740736990 /nfs/dbraw/zinc/73/69/90/740736990.db2.gz VOSNSYYZIZUQCO-XKQJLSEDSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccncc2Cl)C1 ZINC000971555644 740787377 /nfs/dbraw/zinc/78/73/77/740787377.db2.gz IAKVMWYEAYVWPZ-JZXOWHBKSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccncc2Cl)C1 ZINC000971555644 740787380 /nfs/dbraw/zinc/78/73/80/740787380.db2.gz IAKVMWYEAYVWPZ-JZXOWHBKSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cscn1)CC2 ZINC000990734146 741727169 /nfs/dbraw/zinc/72/71/69/741727169.db2.gz ABTQJELNTNKFDR-DFEOGRTESA-N 1 2 361.511 2.738 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1cscn1)CC2 ZINC000990734146 741727171 /nfs/dbraw/zinc/72/71/71/741727171.db2.gz ABTQJELNTNKFDR-DFEOGRTESA-N 1 2 361.511 2.738 20 30 FFEDLO CC(C)Oc1ccc(Br)cc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000819461115 742393827 /nfs/dbraw/zinc/39/38/27/742393827.db2.gz KTJBKOYYHWLOIJ-CQSZACIVSA-N 1 2 370.291 2.855 20 30 FFEDLO CC(C)Oc1ccc(Br)cc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000819461115 742393831 /nfs/dbraw/zinc/39/38/31/742393831.db2.gz KTJBKOYYHWLOIJ-CQSZACIVSA-N 1 2 370.291 2.855 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cscn2)C1 ZINC001023641071 742715236 /nfs/dbraw/zinc/71/52/36/742715236.db2.gz SKGADCXCHHADSY-NJAFHUGGSA-N 1 2 363.527 2.843 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC001023641071 742715239 /nfs/dbraw/zinc/71/52/39/742715239.db2.gz SKGADCXCHHADSY-NJAFHUGGSA-N 1 2 363.527 2.843 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001028197759 742790636 /nfs/dbraw/zinc/79/06/36/742790636.db2.gz QRFBORIHMFUWQF-BQFCYCMXSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001028197759 742790638 /nfs/dbraw/zinc/79/06/38/742790638.db2.gz QRFBORIHMFUWQF-BQFCYCMXSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2csc(Cl)n2)C1 ZINC001029845584 742819424 /nfs/dbraw/zinc/81/94/24/742819424.db2.gz LJFXMJSQGAQJGJ-CFVMTHIKSA-N 1 2 369.918 2.668 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2csc(Cl)n2)C1 ZINC001029845584 742819435 /nfs/dbraw/zinc/81/94/35/742819435.db2.gz LJFXMJSQGAQJGJ-CFVMTHIKSA-N 1 2 369.918 2.668 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnc(C)s1 ZINC001032673148 742866979 /nfs/dbraw/zinc/86/69/79/742866979.db2.gz AOXYEYKHHJTWOG-LAQRGFTBSA-N 1 2 361.511 2.608 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnc(C)s1 ZINC001032673148 742866993 /nfs/dbraw/zinc/86/69/93/742866993.db2.gz AOXYEYKHHJTWOG-LAQRGFTBSA-N 1 2 361.511 2.608 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001033090313 742872115 /nfs/dbraw/zinc/87/21/15/742872115.db2.gz NBQSXQFTWSMDMR-HRCADAONSA-N 1 2 364.287 2.626 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001033090313 742872125 /nfs/dbraw/zinc/87/21/25/742872125.db2.gz NBQSXQFTWSMDMR-HRCADAONSA-N 1 2 364.287 2.626 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(OC)c1Cl ZINC001038714475 742978859 /nfs/dbraw/zinc/97/88/59/742978859.db2.gz PWYCLWWTCLZONI-XHSDSOJGSA-N 1 2 364.873 2.630 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(OC)c1Cl ZINC001038714475 742978864 /nfs/dbraw/zinc/97/88/64/742978864.db2.gz PWYCLWWTCLZONI-XHSDSOJGSA-N 1 2 364.873 2.630 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2ccncc2Cl)C1 ZINC001046320419 743317267 /nfs/dbraw/zinc/31/72/67/743317267.db2.gz TUJQJMNVEJOBIM-HHXXYDBFSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001046320419 743317273 /nfs/dbraw/zinc/31/72/73/743317273.db2.gz TUJQJMNVEJOBIM-HHXXYDBFSA-N 1 2 363.889 2.797 20 30 FFEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)C#Cc2cccs2)c2ccc(Cl)cc2)C1 ZINC000828109624 745030008 /nfs/dbraw/zinc/03/00/08/745030008.db2.gz OPCYCICZQHYWIN-MJGOQNOKSA-N 1 2 374.893 2.941 20 30 FFEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)C#Cc2cccs2)c2ccc(Cl)cc2)C1 ZINC000828109624 745030013 /nfs/dbraw/zinc/03/00/13/745030013.db2.gz OPCYCICZQHYWIN-MJGOQNOKSA-N 1 2 374.893 2.941 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](C(F)(F)F)[C@H](Nc3cc[nH+]c(C)n3)C2)C1 ZINC001055623789 745109868 /nfs/dbraw/zinc/10/98/68/745109868.db2.gz IDGLUVPIFVCTPA-CHWSQXEVSA-N 1 2 354.376 2.943 20 30 FFEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000839618866 746873903 /nfs/dbraw/zinc/87/39/03/746873903.db2.gz KITUIXSKWSHGAA-YLJYHZDGSA-N 1 2 354.475 2.678 20 30 FFEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000839618866 746873913 /nfs/dbraw/zinc/87/39/13/746873913.db2.gz KITUIXSKWSHGAA-YLJYHZDGSA-N 1 2 354.475 2.678 20 30 FFEDLO COc1cccc(S(C)(=O)=O)c1N=NC1CCC[N@@H+]2CCCC[C@H]12 ZINC000848408376 748919706 /nfs/dbraw/zinc/91/97/06/748919706.db2.gz LGCOWVBCMRTRFU-CQSZACIVSA-N 1 2 351.472 2.515 20 30 FFEDLO COc1cccc(S(C)(=O)=O)c1N=NC1CCC[N@H+]2CCCC[C@H]12 ZINC000848408376 748919710 /nfs/dbraw/zinc/91/97/10/748919710.db2.gz LGCOWVBCMRTRFU-CQSZACIVSA-N 1 2 351.472 2.515 20 30 FFEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCOC(F)F)CC1 ZINC000851884898 749717312 /nfs/dbraw/zinc/71/73/12/749717312.db2.gz HCWURONAKOLZFD-AWEZNQCLSA-N 1 2 374.229 2.871 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(S(C)(=O)=O)s1 ZINC000853521536 750082444 /nfs/dbraw/zinc/08/24/44/750082444.db2.gz BLDNYGXDLZQSLE-UHFFFAOYSA-N 1 2 350.465 2.951 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000853651435 750127108 /nfs/dbraw/zinc/12/71/08/750127108.db2.gz WZJTYPKCIWVJQR-OAHLLOKOSA-N 1 2 356.447 2.857 20 30 FFEDLO CC(C)C#CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000854417722 750303385 /nfs/dbraw/zinc/30/33/85/750303385.db2.gz VCNVMHSZPUSBRF-UHFFFAOYSA-N 1 2 364.243 2.927 20 30 FFEDLO C=C[C@@H](CC)CC(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000909531377 971179896 /nfs/dbraw/zinc/17/98/96/971179896.db2.gz XUMSTVBIIJAFJW-INIZCTEOSA-N 1 2 360.454 2.603 20 30 FFEDLO CC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)ccc1OC ZINC001029482645 971640350 /nfs/dbraw/zinc/64/03/50/971640350.db2.gz RUJXVTHZCFVYNT-OQIJWPOYSA-N 1 2 353.466 2.788 20 30 FFEDLO CC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)ccc1OC ZINC001029482645 971640352 /nfs/dbraw/zinc/64/03/52/971640352.db2.gz RUJXVTHZCFVYNT-OQIJWPOYSA-N 1 2 353.466 2.788 20 30 FFEDLO C[C@H](ON=C(N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(C#N)cc1 ZINC000194667543 971886979 /nfs/dbraw/zinc/88/69/79/971886979.db2.gz LXORBGPXVQZZSB-JXFKEZNVSA-N 1 2 364.449 2.809 20 30 FFEDLO C[C@H](ON=C(N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(C#N)cc1 ZINC000194667543 971886983 /nfs/dbraw/zinc/88/69/83/971886983.db2.gz LXORBGPXVQZZSB-JXFKEZNVSA-N 1 2 364.449 2.809 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2cccc(F)c2F)CC1(C)C ZINC000975066049 972336911 /nfs/dbraw/zinc/33/69/11/972336911.db2.gz QMHWAFCCJSISJK-PVAVHDDUSA-N 1 2 364.436 2.883 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2cccc(F)c2F)CC1(C)C ZINC000975066049 972336918 /nfs/dbraw/zinc/33/69/18/972336918.db2.gz QMHWAFCCJSISJK-PVAVHDDUSA-N 1 2 364.436 2.883 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2c(F)cccc2F)C1 ZINC000969684504 959756430 /nfs/dbraw/zinc/75/64/30/959756430.db2.gz MQMMIFBAJSUYON-MUKKUYKPSA-N 1 2 364.436 2.883 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001208963927 959891265 /nfs/dbraw/zinc/89/12/65/959891265.db2.gz OPJWQNAIYRKNTQ-SJLPKXTDSA-N 1 2 357.498 2.972 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001208963927 959891277 /nfs/dbraw/zinc/89/12/77/959891277.db2.gz OPJWQNAIYRKNTQ-SJLPKXTDSA-N 1 2 357.498 2.972 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1Cc1cc(Br)cc(OC(F)(F)F)c1 ZINC001210123162 960703901 /nfs/dbraw/zinc/70/39/01/960703901.db2.gz ZPSFUASYEZQBPL-LLVKDONJSA-N 1 2 364.165 2.645 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970572140 961743866 /nfs/dbraw/zinc/74/38/66/961743866.db2.gz RDKPYWOCVLPORF-DCPHZVHLSA-N 1 2 371.456 2.615 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1F ZINC001110177841 1013365772 /nfs/dbraw/zinc/36/57/72/1013365772.db2.gz KKVNEVLBSKIHEB-NJAFHUGGSA-N 1 2 350.409 2.779 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1F ZINC001110177841 1013365782 /nfs/dbraw/zinc/36/57/82/1013365782.db2.gz KKVNEVLBSKIHEB-NJAFHUGGSA-N 1 2 350.409 2.779 20 30 FFEDLO C=CCOc1ccccc1[C@@H](C)NC(=O)c1cc2n(n1)CCC[N@H+](C)C2 ZINC001175104891 1013381407 /nfs/dbraw/zinc/38/14/07/1013381407.db2.gz QCKBMCTUNWFEKE-OAHLLOKOSA-N 1 2 354.454 2.774 20 30 FFEDLO C=CCOc1ccccc1[C@@H](C)NC(=O)c1cc2n(n1)CCC[N@@H+](C)C2 ZINC001175104891 1013381416 /nfs/dbraw/zinc/38/14/16/1013381416.db2.gz QCKBMCTUNWFEKE-OAHLLOKOSA-N 1 2 354.454 2.774 20 30 FFEDLO CC(C)n1nccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001095467541 1013485094 /nfs/dbraw/zinc/48/50/94/1013485094.db2.gz MQQQSVMAYJWLLF-AABGKKOBSA-N 1 2 362.477 2.851 20 30 FFEDLO CC(C)n1nccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001095467541 1013485102 /nfs/dbraw/zinc/48/51/02/1013485102.db2.gz MQQQSVMAYJWLLF-AABGKKOBSA-N 1 2 362.477 2.851 20 30 FFEDLO COc1ccc([C@@H](CNc2ccc(C#N)cc2CO)[NH+]2CCOCC2)cc1 ZINC000891486336 964377418 /nfs/dbraw/zinc/37/74/18/964377418.db2.gz FSYIBTYABMJYQT-OAQYLSRUSA-N 1 2 367.449 2.545 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncoc1C(C)C ZINC000960885021 1013506814 /nfs/dbraw/zinc/50/68/14/1013506814.db2.gz UTDNWWSAAORPQH-NUJGCVRESA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncoc1C(C)C ZINC000960885021 1013506819 /nfs/dbraw/zinc/50/68/19/1013506819.db2.gz UTDNWWSAAORPQH-NUJGCVRESA-N 1 2 361.486 2.812 20 30 FFEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000960896510 1013515996 /nfs/dbraw/zinc/51/59/96/1013515996.db2.gz REOPOCCWAYSRIH-WTGUMLROSA-N 1 2 371.456 2.688 20 30 FFEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000960896510 1013516005 /nfs/dbraw/zinc/51/60/05/1013516005.db2.gz REOPOCCWAYSRIH-WTGUMLROSA-N 1 2 371.456 2.688 20 30 FFEDLO Cc1ccccc1CC(N)=[NH+]OCC(=O)Nc1ccnn1C1CCCC1 ZINC000085268540 964909259 /nfs/dbraw/zinc/90/92/59/964909259.db2.gz GZVUGWPYRKDMQC-UHFFFAOYSA-N 1 2 355.442 2.777 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000891708124 964922070 /nfs/dbraw/zinc/92/20/70/964922070.db2.gz WNLGUOPBIUNHGT-UHFFFAOYSA-N 1 2 352.369 2.866 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)CC)CCCCC1 ZINC001111483570 964965556 /nfs/dbraw/zinc/96/55/56/964965556.db2.gz IMGLGXGGMDRENI-MKXGPGLRSA-N 1 2 373.541 2.596 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)CC)CCCCC1 ZINC001111483570 964965569 /nfs/dbraw/zinc/96/55/69/964965569.db2.gz IMGLGXGGMDRENI-MKXGPGLRSA-N 1 2 373.541 2.596 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3c(C)coc3C)[C@@H]2C1 ZINC001075753514 965023248 /nfs/dbraw/zinc/02/32/48/965023248.db2.gz QLLISAPNKNHUJS-UONOGXRCSA-N 1 2 353.260 2.951 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3c(C)coc3C)[C@@H]2C1 ZINC001075753514 965023262 /nfs/dbraw/zinc/02/32/62/965023262.db2.gz QLLISAPNKNHUJS-UONOGXRCSA-N 1 2 353.260 2.951 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC2(C[C@@H]2C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001270611445 965294559 /nfs/dbraw/zinc/29/45/59/965294559.db2.gz SVYUOTGPHMKOMZ-CQSZACIVSA-N 1 2 352.438 2.724 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1F ZINC001111490187 965342447 /nfs/dbraw/zinc/34/24/47/965342447.db2.gz XFESUBWKXQFIDO-QVDUIBETSA-N 1 2 350.409 2.777 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1F ZINC001111490187 965342453 /nfs/dbraw/zinc/34/24/53/965342453.db2.gz XFESUBWKXQFIDO-QVDUIBETSA-N 1 2 350.409 2.777 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000684803798 966342322 /nfs/dbraw/zinc/34/23/22/966342322.db2.gz SSBXVGAKYKWVFN-NSHGMRRFSA-N 1 2 368.481 2.984 20 30 FFEDLO COc1ccc(C[N@H+](CCCO)CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000934509566 966604950 /nfs/dbraw/zinc/60/49/50/966604950.db2.gz YPIZSCKMRZVPIL-UHFFFAOYSA-N 1 2 371.437 2.600 20 30 FFEDLO COc1ccc(C[N@@H+](CCCO)CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000934509566 966604956 /nfs/dbraw/zinc/60/49/56/966604956.db2.gz YPIZSCKMRZVPIL-UHFFFAOYSA-N 1 2 371.437 2.600 20 30 FFEDLO COc1ccc([C@@H]2C[C@H]2C(=O)NCC[N@H+](C)Cc2ccccc2C#N)cc1 ZINC001480922209 966920688 /nfs/dbraw/zinc/92/06/88/966920688.db2.gz BYFGAVVKUFPBME-LEWJYISDSA-N 1 2 363.461 2.919 20 30 FFEDLO COc1ccc([C@@H]2C[C@H]2C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)cc1 ZINC001480922209 966920693 /nfs/dbraw/zinc/92/06/93/966920693.db2.gz BYFGAVVKUFPBME-LEWJYISDSA-N 1 2 363.461 2.919 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001111491200 967350798 /nfs/dbraw/zinc/35/07/98/967350798.db2.gz SHDWWESYESNLDN-AZFSHXRASA-N 1 2 357.429 2.510 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001111491200 967350810 /nfs/dbraw/zinc/35/08/10/967350810.db2.gz SHDWWESYESNLDN-AZFSHXRASA-N 1 2 357.429 2.510 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cccn2C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087505260 967352791 /nfs/dbraw/zinc/35/27/91/967352791.db2.gz AAYGIUUAVGENLZ-ZWKOTPCHSA-N 1 2 354.429 2.819 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cccn2C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087505260 967352799 /nfs/dbraw/zinc/35/27/99/967352799.db2.gz AAYGIUUAVGENLZ-ZWKOTPCHSA-N 1 2 354.429 2.819 20 30 FFEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3CC)C2)C1 ZINC000972519631 967555586 /nfs/dbraw/zinc/55/55/86/967555586.db2.gz WKKOUOCWDMNGHZ-VWPQPMDRSA-N 1 2 354.494 2.842 20 30 FFEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3CC)C2)C1 ZINC000972519631 967555594 /nfs/dbraw/zinc/55/55/94/967555594.db2.gz WKKOUOCWDMNGHZ-VWPQPMDRSA-N 1 2 354.494 2.842 20 30 FFEDLO CCc1nc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2CC)cs1 ZINC001087541243 967979181 /nfs/dbraw/zinc/97/91/81/967979181.db2.gz JUFXRQPRUDQDGQ-GOEBONIOSA-N 1 2 357.483 2.688 20 30 FFEDLO CCc1nc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2CC)cs1 ZINC001087541243 967979190 /nfs/dbraw/zinc/97/91/90/967979190.db2.gz JUFXRQPRUDQDGQ-GOEBONIOSA-N 1 2 357.483 2.688 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)n2cccc2)[C@H]1CC ZINC001087542935 967993105 /nfs/dbraw/zinc/99/31/05/967993105.db2.gz HETCQTBSXNWVFB-QLFBSQMISA-N 1 2 354.292 2.927 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)n2cccc2)[C@H]1CC ZINC001087542935 967993107 /nfs/dbraw/zinc/99/31/07/967993107.db2.gz HETCQTBSXNWVFB-QLFBSQMISA-N 1 2 354.292 2.927 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CCCC2)CCCC1 ZINC001111517840 968002095 /nfs/dbraw/zinc/00/20/95/968002095.db2.gz LCWGXGHZMHRLMQ-QRVBRYPASA-N 1 2 373.541 2.903 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CCCC2)CCCC1 ZINC001111517840 968002099 /nfs/dbraw/zinc/00/20/99/968002099.db2.gz LCWGXGHZMHRLMQ-QRVBRYPASA-N 1 2 373.541 2.903 20 30 FFEDLO CC(C)N(CCN(C)c1cccc(F)c1C#N)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001125719654 968182154 /nfs/dbraw/zinc/18/21/54/968182154.db2.gz AGLKHHSMBCNBML-HUUCEWRRSA-N 1 2 369.444 2.897 20 30 FFEDLO CC(C)N(CCN(C)c1cccc(F)c1C#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001125719654 968182158 /nfs/dbraw/zinc/18/21/58/968182158.db2.gz AGLKHHSMBCNBML-HUUCEWRRSA-N 1 2 369.444 2.897 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2csc(C)n2)[C@@H]1CC ZINC001087576595 968223649 /nfs/dbraw/zinc/22/36/49/968223649.db2.gz RAXVVYBFMPTAMX-XDNAFOTISA-N 1 2 363.527 2.902 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2csc(C)n2)[C@@H]1CC ZINC001087576595 968223659 /nfs/dbraw/zinc/22/36/59/968223659.db2.gz RAXVVYBFMPTAMX-XDNAFOTISA-N 1 2 363.527 2.902 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(Cn3cccn3)o2)[C@H]1CC ZINC001087581923 968241230 /nfs/dbraw/zinc/24/12/30/968241230.db2.gz IUOLUPDTGKSTJM-JKSUJKDBSA-N 1 2 362.861 2.860 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cn3cccn3)o2)[C@H]1CC ZINC001087581923 968241242 /nfs/dbraw/zinc/24/12/42/968241242.db2.gz IUOLUPDTGKSTJM-JKSUJKDBSA-N 1 2 362.861 2.860 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2CCC)[C@H]1CC ZINC001087637074 968443966 /nfs/dbraw/zinc/44/39/66/968443966.db2.gz YKVQMOONLROYEY-LSDHHAIUSA-N 1 2 369.307 2.854 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2CCC)[C@H]1CC ZINC001087637074 968443969 /nfs/dbraw/zinc/44/39/69/968443969.db2.gz YKVQMOONLROYEY-LSDHHAIUSA-N 1 2 369.307 2.854 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3csc(CC)n3)[C@@H]2CC)c1 ZINC001087718673 968717532 /nfs/dbraw/zinc/71/75/32/968717532.db2.gz AYYLTTIMFRIGIA-ZWKOTPCHSA-N 1 2 368.506 2.865 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3csc(CC)n3)[C@@H]2CC)c1 ZINC001087718673 968717543 /nfs/dbraw/zinc/71/75/43/968717543.db2.gz AYYLTTIMFRIGIA-ZWKOTPCHSA-N 1 2 368.506 2.865 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2nc(C)oc2C)[C@H]1CC ZINC001087773138 969013958 /nfs/dbraw/zinc/01/39/58/969013958.db2.gz WJHBWLMYKMSCNM-QWHCGFSZSA-N 1 2 356.264 2.783 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2nc(C)oc2C)[C@H]1CC ZINC001087773138 969013968 /nfs/dbraw/zinc/01/39/68/969013968.db2.gz WJHBWLMYKMSCNM-QWHCGFSZSA-N 1 2 356.264 2.783 20 30 FFEDLO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(F)(F)C(F)F)C2)c1 ZINC001104659064 970029742 /nfs/dbraw/zinc/02/97/42/970029742.db2.gz BIGVEYNFGMTQCL-TZMCWYRMSA-N 1 2 371.378 2.651 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnc(Cl)s1)C2 ZINC001112018061 970091270 /nfs/dbraw/zinc/09/12/70/970091270.db2.gz YZWVSIWJWXPSAT-DCGLDWPTSA-N 1 2 369.918 2.858 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnc(Cl)s1)C2 ZINC001112018061 970091274 /nfs/dbraw/zinc/09/12/74/970091274.db2.gz YZWVSIWJWXPSAT-DCGLDWPTSA-N 1 2 369.918 2.858 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+](CCNC(=O)[C@@H]1CCO[C@H]1C1CC1)C1CC1 ZINC001481179223 970321619 /nfs/dbraw/zinc/32/16/19/970321619.db2.gz VAUBCAJBSHFTKL-UXHICEINSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+](CCNC(=O)[C@@H]1CCO[C@H]1C1CC1)C1CC1 ZINC001481179223 970321630 /nfs/dbraw/zinc/32/16/30/970321630.db2.gz VAUBCAJBSHFTKL-UXHICEINSA-N 1 2 371.456 2.593 20 30 FFEDLO Cc1cc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)ccc1C#N ZINC000783025476 970410461 /nfs/dbraw/zinc/41/04/61/970410461.db2.gz BOHFTRQGYFBUJC-UHFFFAOYSA-N 1 2 364.449 2.536 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(Cl)c[nH]3)[C@@H]2C1 ZINC001075541054 970634772 /nfs/dbraw/zinc/63/47/72/970634772.db2.gz ZMMUXNCQLFTRDT-GXFFZTMASA-N 1 2 358.667 2.723 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(Cl)c[nH]3)[C@@H]2C1 ZINC001075541054 970634779 /nfs/dbraw/zinc/63/47/79/970634779.db2.gz ZMMUXNCQLFTRDT-GXFFZTMASA-N 1 2 358.667 2.723 20 30 FFEDLO C#CC[C@@H](COC)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000875927753 1014096351 /nfs/dbraw/zinc/09/63/51/1014096351.db2.gz HLDPDOSYMAOSSO-SFHVURJKSA-N 1 2 374.872 2.787 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@H]2CC)CC1 ZINC000985220224 973285547 /nfs/dbraw/zinc/28/55/47/973285547.db2.gz FKCTVOMSAFXGAW-FUHWJXTLSA-N 1 2 358.486 2.503 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001066794728 1014130591 /nfs/dbraw/zinc/13/05/91/1014130591.db2.gz WAYBODNMSWDSEF-AOIWGVFYSA-N 1 2 358.486 2.631 20 30 FFEDLO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cnn1CCC#N ZINC000897263016 973695615 /nfs/dbraw/zinc/69/56/15/973695615.db2.gz DTORFECYTSDYKU-MSOLQXFVSA-N 1 2 373.407 2.559 20 30 FFEDLO Cc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cnn1CCC#N ZINC000897263016 973695620 /nfs/dbraw/zinc/69/56/20/973695620.db2.gz DTORFECYTSDYKU-MSOLQXFVSA-N 1 2 373.407 2.559 20 30 FFEDLO C=CCOCCCNC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000661795497 974796575 /nfs/dbraw/zinc/79/65/75/974796575.db2.gz AVKNZHCTMSMIJU-UHFFFAOYSA-N 1 2 361.486 2.505 20 30 FFEDLO N#CCc1ccc(COC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000785308657 975062454 /nfs/dbraw/zinc/06/24/54/975062454.db2.gz WUJBALJASFAJHI-OAQYLSRUSA-N 1 2 364.445 2.994 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000981186544 976313673 /nfs/dbraw/zinc/31/36/73/976313673.db2.gz TVJIDRIKDWBFCW-QUCCMNQESA-N 1 2 371.456 2.713 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000981186544 976313687 /nfs/dbraw/zinc/31/36/87/976313687.db2.gz TVJIDRIKDWBFCW-QUCCMNQESA-N 1 2 371.456 2.713 20 30 FFEDLO Cc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)sc1C(C)(C)C ZINC001075615874 977313542 /nfs/dbraw/zinc/31/35/42/977313542.db2.gz BOFBXZUQCSOSPD-AEGPPILISA-N 1 2 360.527 2.941 20 30 FFEDLO Cc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)sc1C(C)(C)C ZINC001075615874 977313547 /nfs/dbraw/zinc/31/35/47/977313547.db2.gz BOFBXZUQCSOSPD-AEGPPILISA-N 1 2 360.527 2.941 20 30 FFEDLO Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCN(C(=O)[C@@H](C)C#N)[C@@H]4C3)cs2)o1 ZINC001075616176 977317846 /nfs/dbraw/zinc/31/78/46/977317846.db2.gz LVGRWSKGLOKXTM-DUVNUKRYSA-N 1 2 370.478 2.904 20 30 FFEDLO Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCN(C(=O)[C@@H](C)C#N)[C@@H]4C3)cs2)o1 ZINC001075616176 977317852 /nfs/dbraw/zinc/31/78/52/977317852.db2.gz LVGRWSKGLOKXTM-DUVNUKRYSA-N 1 2 370.478 2.904 20 30 FFEDLO Cc1cc(C#N)cc(C)c1C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000899848531 977362914 /nfs/dbraw/zinc/36/29/14/977362914.db2.gz DJTWLVHNEJHCSH-UHFFFAOYSA-N 1 2 371.481 2.711 20 30 FFEDLO Cc1noc2ncc(C[NH+]3CCN(c4cccc(F)c4C#N)CC3)cc12 ZINC000893961507 977609972 /nfs/dbraw/zinc/60/99/72/977609972.db2.gz AQAGPLGUUZOOBV-UHFFFAOYSA-N 1 2 351.385 2.864 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001087452615 977704523 /nfs/dbraw/zinc/70/45/23/977704523.db2.gz BUPJXKVCLHFHTN-KBAYOESNSA-N 1 2 366.864 2.889 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001087452615 977704530 /nfs/dbraw/zinc/70/45/30/977704530.db2.gz BUPJXKVCLHFHTN-KBAYOESNSA-N 1 2 366.864 2.889 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2onc(C)c2C)C1 ZINC001087456101 977793948 /nfs/dbraw/zinc/79/39/48/977793948.db2.gz DCZUNPWYBWAULR-QZTJIDSGSA-N 1 2 355.413 2.652 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2onc(C)c2C)C1 ZINC001087456101 977793951 /nfs/dbraw/zinc/79/39/51/977793951.db2.gz DCZUNPWYBWAULR-QZTJIDSGSA-N 1 2 355.413 2.652 20 30 FFEDLO C=CCCCCCNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000653932983 1014493354 /nfs/dbraw/zinc/49/33/54/1014493354.db2.gz HPIFBGJUTRZTIF-UHFFFAOYSA-N 1 2 358.486 2.942 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3ncc(C)cc3C)[C@@H]2C1 ZINC001076074670 979089418 /nfs/dbraw/zinc/08/94/18/979089418.db2.gz MRXBSJBMTZGGAU-LSDHHAIUSA-N 1 2 364.287 2.753 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ncc(C)cc3C)[C@@H]2C1 ZINC001076074670 979089423 /nfs/dbraw/zinc/08/94/23/979089423.db2.gz MRXBSJBMTZGGAU-LSDHHAIUSA-N 1 2 364.287 2.753 20 30 FFEDLO C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4nccs4)C[C@H]32)cc1 ZINC001076333909 979398415 /nfs/dbraw/zinc/39/84/15/979398415.db2.gz LBLMLGTWBRJJQQ-FUHWJXTLSA-N 1 2 367.474 2.502 20 30 FFEDLO C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4nccs4)C[C@H]32)cc1 ZINC001076333909 979398421 /nfs/dbraw/zinc/39/84/21/979398421.db2.gz LBLMLGTWBRJJQQ-FUHWJXTLSA-N 1 2 367.474 2.502 20 30 FFEDLO Cc1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(F)ccc4C#N)C[C@H]32)ccn1 ZINC001076381962 979434919 /nfs/dbraw/zinc/43/49/19/979434919.db2.gz VTIMQWNZJZKBHH-FXAWDEMLSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(F)ccc4C#N)C[C@H]32)ccn1 ZINC001076381962 979434920 /nfs/dbraw/zinc/43/49/20/979434920.db2.gz VTIMQWNZJZKBHH-FXAWDEMLSA-N 1 2 364.424 2.747 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(NC(C)=O)c3C)[C@@H]2C1 ZINC001076460959 979533348 /nfs/dbraw/zinc/53/33/48/979533348.db2.gz KOWVFGZSQNTBJX-MAUKXSAKSA-N 1 2 361.873 2.852 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(NC(C)=O)c3C)[C@@H]2C1 ZINC001076460959 979533356 /nfs/dbraw/zinc/53/33/56/979533356.db2.gz KOWVFGZSQNTBJX-MAUKXSAKSA-N 1 2 361.873 2.852 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCc4ccccc43)[C@@H]2C)C1 ZINC001088844315 979622400 /nfs/dbraw/zinc/62/24/00/979622400.db2.gz MBIIFTBKUCTAKC-AEFFLSMTSA-N 1 2 367.493 2.511 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCc4ccccc43)[C@@H]2C)C1 ZINC001088844315 979622405 /nfs/dbraw/zinc/62/24/05/979622405.db2.gz MBIIFTBKUCTAKC-AEFFLSMTSA-N 1 2 367.493 2.511 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(NC(C)=O)c(F)c3)[C@@H]2C1 ZINC001076644865 979749843 /nfs/dbraw/zinc/74/98/43/979749843.db2.gz YUZLXDSPWQMKHE-WMLDXEAASA-N 1 2 365.836 2.683 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(NC(C)=O)c(F)c3)[C@@H]2C1 ZINC001076644865 979749846 /nfs/dbraw/zinc/74/98/46/979749846.db2.gz YUZLXDSPWQMKHE-WMLDXEAASA-N 1 2 365.836 2.683 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(F)nc2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088493085 980053000 /nfs/dbraw/zinc/05/30/00/980053000.db2.gz XEZMDKBWBOMKBT-PXAZEXFGSA-N 1 2 356.376 2.624 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(F)nc2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088493085 980053008 /nfs/dbraw/zinc/05/30/08/980053008.db2.gz XEZMDKBWBOMKBT-PXAZEXFGSA-N 1 2 356.376 2.624 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCOC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088501837 980116057 /nfs/dbraw/zinc/11/60/57/980116057.db2.gz KYOHOXOOEXLHPW-GJYPPUQNSA-N 1 2 360.885 2.697 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCOC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088501837 980116075 /nfs/dbraw/zinc/11/60/75/980116075.db2.gz KYOHOXOOEXLHPW-GJYPPUQNSA-N 1 2 360.885 2.697 20 30 FFEDLO C=CCCC[C@H]1NC(=O)N(c2cccc([C@H](C)[NH+]3CCOCC3)c2)C1=O ZINC000905450386 980437073 /nfs/dbraw/zinc/43/70/73/980437073.db2.gz MAYVYIMXOCZQJK-MAUKXSAKSA-N 1 2 357.454 2.861 20 30 FFEDLO Cc1nscc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088532244 980456045 /nfs/dbraw/zinc/45/60/45/980456045.db2.gz HRVGXLSMDUPKNU-PXAZEXFGSA-N 1 2 358.442 2.855 20 30 FFEDLO Cc1nscc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088532244 980456051 /nfs/dbraw/zinc/45/60/51/980456051.db2.gz HRVGXLSMDUPKNU-PXAZEXFGSA-N 1 2 358.442 2.855 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088533260 980459209 /nfs/dbraw/zinc/45/92/09/980459209.db2.gz JCUFPMFGQFPIQU-KUHUBIRLSA-N 1 2 366.852 2.784 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088533260 980459214 /nfs/dbraw/zinc/45/92/14/980459214.db2.gz JCUFPMFGQFPIQU-KUHUBIRLSA-N 1 2 366.852 2.784 20 30 FFEDLO C=CCCC[C@H](NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000897489574 981296398 /nfs/dbraw/zinc/29/63/98/981296398.db2.gz HXDXNNAEXKTQKA-WMZOPIPTSA-N 1 2 354.454 2.602 20 30 FFEDLO CCCn1nccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088595758 981374782 /nfs/dbraw/zinc/37/47/82/981374782.db2.gz SFPCENZZEXFMLZ-KDOFPFPSSA-N 1 2 369.444 2.697 20 30 FFEDLO CCCn1nccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088595758 981374787 /nfs/dbraw/zinc/37/47/87/981374787.db2.gz SFPCENZZEXFMLZ-KDOFPFPSSA-N 1 2 369.444 2.697 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc(-n4cccc4)c3)[C@@H]2C1 ZINC001075918295 981569315 /nfs/dbraw/zinc/56/93/15/981569315.db2.gz HZJXGZZHVDABIR-DLBZAZTESA-N 1 2 356.857 2.771 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccnc(-n4cccc4)c3)[C@@H]2C1 ZINC001075918295 981569318 /nfs/dbraw/zinc/56/93/18/981569318.db2.gz HZJXGZZHVDABIR-DLBZAZTESA-N 1 2 356.857 2.771 20 30 FFEDLO Cc1noc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)c1C ZINC001088648429 982146013 /nfs/dbraw/zinc/14/60/13/982146013.db2.gz JKTIWGDKMCWVAJ-DYVFJYSZSA-N 1 2 356.401 2.695 20 30 FFEDLO Cc1noc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)c1C ZINC001088648429 982146016 /nfs/dbraw/zinc/14/60/16/982146016.db2.gz JKTIWGDKMCWVAJ-DYVFJYSZSA-N 1 2 356.401 2.695 20 30 FFEDLO N#Cc1c(F)cccc1N1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001059971353 982308841 /nfs/dbraw/zinc/30/88/41/982308841.db2.gz ZOVDIXDNZJOHPW-RBSFLKMASA-N 1 2 367.428 2.557 20 30 FFEDLO N#Cc1c(F)cccc1N1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001059971353 982308851 /nfs/dbraw/zinc/30/88/51/982308851.db2.gz ZOVDIXDNZJOHPW-RBSFLKMASA-N 1 2 367.428 2.557 20 30 FFEDLO COC(=O)/C=C\c1ccc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)o1 ZINC000897596433 982373367 /nfs/dbraw/zinc/37/33/67/982373367.db2.gz PYKLPPBXPLPTBH-OLHLWXQYSA-N 1 2 352.390 2.911 20 30 FFEDLO COC(=O)/C=C\c1ccc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)o1 ZINC000897596433 982373372 /nfs/dbraw/zinc/37/33/72/982373372.db2.gz PYKLPPBXPLPTBH-OLHLWXQYSA-N 1 2 352.390 2.911 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)CCN(C)c1nc(C)[nH+]c(C)c1C ZINC001105576011 982418698 /nfs/dbraw/zinc/41/86/98/982418698.db2.gz HAWQINFJBWMDMD-ROUUACIJSA-N 1 2 360.502 2.668 20 30 FFEDLO N#Cc1csc(C[NH2+]Cc2cc3ccccc3nc2N2CCOCC2)n1 ZINC000897633289 982446109 /nfs/dbraw/zinc/44/61/09/982446109.db2.gz ZXRJQFQMYPAQGD-UHFFFAOYSA-N 1 2 365.462 2.689 20 30 FFEDLO COCOc1ccc(OC)cc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000126942381 1014893048 /nfs/dbraw/zinc/89/30/48/1014893048.db2.gz GTMGBMRPSGOWIQ-UHFFFAOYSA-N 1 2 367.449 2.872 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O)C1CC1 ZINC000072952727 983953893 /nfs/dbraw/zinc/95/38/93/983953893.db2.gz LJXVNTYJFBCUQI-HXUWFJFHSA-N 1 2 353.422 2.796 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O)C1CC1 ZINC000072952727 983953899 /nfs/dbraw/zinc/95/38/99/983953899.db2.gz LJXVNTYJFBCUQI-HXUWFJFHSA-N 1 2 353.422 2.796 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)C[C@H]1OC ZINC001212146806 984336815 /nfs/dbraw/zinc/33/68/15/984336815.db2.gz YZAJWEMWORKXEC-HUUCEWRRSA-N 1 2 354.903 2.911 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)s2)C[C@H]1OC ZINC001212146806 984336819 /nfs/dbraw/zinc/33/68/19/984336819.db2.gz YZAJWEMWORKXEC-HUUCEWRRSA-N 1 2 354.903 2.911 20 30 FFEDLO C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnc(C(C)C)[nH]1)CC2 ZINC001107384631 984495313 /nfs/dbraw/zinc/49/53/13/984495313.db2.gz OFGVWJXMKUFKMN-OXQOHEQNSA-N 1 2 357.502 2.592 20 30 FFEDLO C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnc(C(C)C)[nH]1)CC2 ZINC001107384631 984495315 /nfs/dbraw/zinc/49/53/15/984495315.db2.gz OFGVWJXMKUFKMN-OXQOHEQNSA-N 1 2 357.502 2.592 20 30 FFEDLO CCc1ccc([C@@H](C)NC(=O)CO[NH+]=C(N)c2ccc3c(c2)CCO3)cc1 ZINC000158229987 984802339 /nfs/dbraw/zinc/80/23/39/984802339.db2.gz DWDCWIRGUGXEHN-CQSZACIVSA-N 1 2 367.449 2.698 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@H]1OC ZINC001212184988 984987707 /nfs/dbraw/zinc/98/77/07/984987707.db2.gz KYQFRKISYFHGMX-MORSLUCNSA-N 1 2 350.409 2.645 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@H]1OC ZINC001212184988 984987711 /nfs/dbraw/zinc/98/77/11/984987711.db2.gz KYQFRKISYFHGMX-MORSLUCNSA-N 1 2 350.409 2.645 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)c(C)o3)[C@@H]2C)cc1 ZINC001088906149 985412109 /nfs/dbraw/zinc/41/21/09/985412109.db2.gz IONNNNCIAKRAKT-BEFAXECRSA-N 1 2 367.449 2.696 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)c(C)o3)[C@@H]2C)cc1 ZINC001088906149 985412115 /nfs/dbraw/zinc/41/21/15/985412115.db2.gz IONNNNCIAKRAKT-BEFAXECRSA-N 1 2 367.449 2.696 20 30 FFEDLO C#CC[N@H+](Cc1ccc(F)cc1)C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000062363658 985473057 /nfs/dbraw/zinc/47/30/57/985473057.db2.gz QEHKTLALHATBCG-FQEVSTJZSA-N 1 2 355.409 2.903 20 30 FFEDLO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000062363658 985473068 /nfs/dbraw/zinc/47/30/68/985473068.db2.gz QEHKTLALHATBCG-FQEVSTJZSA-N 1 2 355.409 2.903 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)o1 ZINC001088959579 985622565 /nfs/dbraw/zinc/62/25/65/985622565.db2.gz MJGIMYWAHHOONM-DYVFJYSZSA-N 1 2 370.428 2.949 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)o1 ZINC001088959579 985622574 /nfs/dbraw/zinc/62/25/74/985622574.db2.gz MJGIMYWAHHOONM-DYVFJYSZSA-N 1 2 370.428 2.949 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncccc2Cl)CC[N@@H+]1Cc1ccccc1C#N ZINC001088992820 985792086 /nfs/dbraw/zinc/79/20/86/985792086.db2.gz ACNLEDVTNOEOCU-DYVFJYSZSA-N 1 2 354.841 2.999 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncccc2Cl)CC[N@H+]1Cc1ccccc1C#N ZINC001088992820 985792089 /nfs/dbraw/zinc/79/20/89/985792089.db2.gz ACNLEDVTNOEOCU-DYVFJYSZSA-N 1 2 354.841 2.999 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2coc(C3CC3)n2)[C@@H]1C ZINC001089006728 985920669 /nfs/dbraw/zinc/92/06/69/985920669.db2.gz UWVTZUQDXNZMSN-QRWLVFNGSA-N 1 2 363.461 2.855 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2coc(C3CC3)n2)[C@@H]1C ZINC001089006728 985920684 /nfs/dbraw/zinc/92/06/84/985920684.db2.gz UWVTZUQDXNZMSN-QRWLVFNGSA-N 1 2 363.461 2.855 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001089031964 986021694 /nfs/dbraw/zinc/02/16/94/986021694.db2.gz MFFQLWUWKALRCG-AEFFLSMTSA-N 1 2 351.450 2.790 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001089031964 986021712 /nfs/dbraw/zinc/02/17/12/986021712.db2.gz MFFQLWUWKALRCG-AEFFLSMTSA-N 1 2 351.450 2.790 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001007528559 1015289358 /nfs/dbraw/zinc/28/93/58/1015289358.db2.gz FEUQKJXITCOICE-HOJAQTOUSA-N 1 2 358.457 2.573 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001007528559 1015289366 /nfs/dbraw/zinc/28/93/66/1015289366.db2.gz FEUQKJXITCOICE-HOJAQTOUSA-N 1 2 358.457 2.573 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001061040380 987252065 /nfs/dbraw/zinc/25/20/65/987252065.db2.gz AJBMFLGOKLQTGM-BRWVUGGUSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001061040380 987252071 /nfs/dbraw/zinc/25/20/71/987252071.db2.gz AJBMFLGOKLQTGM-BRWVUGGUSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(C(C)(C)C)on2)CC1 ZINC001003650066 988199748 /nfs/dbraw/zinc/19/97/48/988199748.db2.gz PJRDLLXBHCDAPD-SJORKVTESA-N 1 2 361.486 2.644 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)cc1F ZINC001007975888 1015438165 /nfs/dbraw/zinc/43/81/65/1015438165.db2.gz HMDVYCWVSFZJOT-HLNWXESRSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)cc1F ZINC001007975888 1015438170 /nfs/dbraw/zinc/43/81/70/1015438170.db2.gz HMDVYCWVSFZJOT-HLNWXESRSA-N 1 2 371.456 2.593 20 30 FFEDLO COc1ccccc1[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1nccn1C ZINC000763233142 989247336 /nfs/dbraw/zinc/24/73/36/989247336.db2.gz KOTBQDOLFXJVLF-UYAOXDASSA-N 1 2 362.433 2.713 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC000994046408 989572839 /nfs/dbraw/zinc/57/28/39/989572839.db2.gz JKZQQFMNXYMGJV-RHSMWYFYSA-N 1 2 368.481 2.679 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001033493388 989621126 /nfs/dbraw/zinc/62/11/26/989621126.db2.gz DIEUBQHEWMNQKW-RYRKJORJSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001033493388 989621134 /nfs/dbraw/zinc/62/11/34/989621134.db2.gz DIEUBQHEWMNQKW-RYRKJORJSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001033834300 989746814 /nfs/dbraw/zinc/74/68/14/989746814.db2.gz VYTSKNLDOAWUIS-KSZLIROESA-N 1 2 361.486 2.695 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001033834300 989746817 /nfs/dbraw/zinc/74/68/17/989746817.db2.gz VYTSKNLDOAWUIS-KSZLIROESA-N 1 2 361.486 2.695 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2sccc2Cl)C[C@@H]1n1ccnn1 ZINC001128807137 989898122 /nfs/dbraw/zinc/89/81/22/989898122.db2.gz LXDKPOOQWKVECH-KGLIPLIRSA-N 1 2 365.890 2.501 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2sccc2Cl)C[C@@H]1n1ccnn1 ZINC001128807137 989898126 /nfs/dbraw/zinc/89/81/26/989898126.db2.gz LXDKPOOQWKVECH-KGLIPLIRSA-N 1 2 365.890 2.501 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ccc(F)cc3F)C[C@@H]2O)CC1 ZINC001083751175 989973053 /nfs/dbraw/zinc/97/30/53/989973053.db2.gz JSGJEHFOUCAHFM-ZNOIYHFQSA-N 1 2 364.436 2.934 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ccc(F)cc3F)C[C@@H]2O)CC1 ZINC001083751175 989973054 /nfs/dbraw/zinc/97/30/54/989973054.db2.gz JSGJEHFOUCAHFM-ZNOIYHFQSA-N 1 2 364.436 2.934 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001108152228 990246330 /nfs/dbraw/zinc/24/63/30/990246330.db2.gz ANONRDYVTMFFME-SKDZVZGDSA-N 1 2 358.486 2.562 20 30 FFEDLO C=CCCCC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001078992467 990436114 /nfs/dbraw/zinc/43/61/14/990436114.db2.gz FDIICUBYQKULFD-GVDBMIGSSA-N 1 2 358.486 2.709 20 30 FFEDLO C=CCCCC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001078992467 990436119 /nfs/dbraw/zinc/43/61/19/990436119.db2.gz FDIICUBYQKULFD-GVDBMIGSSA-N 1 2 358.486 2.709 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CN(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001062179277 990678380 /nfs/dbraw/zinc/67/83/80/990678380.db2.gz ZPCWAOCHPBWDCR-JQHSSLGASA-N 1 2 370.497 2.538 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C(C)(C)C2)C1 ZINC000967069966 1015580356 /nfs/dbraw/zinc/58/03/56/1015580356.db2.gz UMLFTUYOUXMYPZ-INMHGKMJSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C(C)(C)C2)C1 ZINC000967069966 1015580362 /nfs/dbraw/zinc/58/03/62/1015580362.db2.gz UMLFTUYOUXMYPZ-INMHGKMJSA-N 1 2 370.497 2.613 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001062262714 990693137 /nfs/dbraw/zinc/69/31/37/990693137.db2.gz FWWIVBNLQZIYDG-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001062262714 990693145 /nfs/dbraw/zinc/69/31/45/990693145.db2.gz FWWIVBNLQZIYDG-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO N#Cc1cnccc1C[NH+]1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000879604869 1015605894 /nfs/dbraw/zinc/60/58/94/1015605894.db2.gz IGVRQZLUUVFNGO-UHFFFAOYSA-N 1 2 350.422 2.844 20 30 FFEDLO COc1ccccc1[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000879630983 1015617018 /nfs/dbraw/zinc/61/70/18/1015617018.db2.gz NSLZNMDFXCVGHE-FQEVSTJZSA-N 1 2 365.433 2.969 20 30 FFEDLO COc1ccccc1[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000879630983 1015617022 /nfs/dbraw/zinc/61/70/22/1015617022.db2.gz NSLZNMDFXCVGHE-FQEVSTJZSA-N 1 2 365.433 2.969 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nocc1C ZINC001089699852 991424463 /nfs/dbraw/zinc/42/44/63/991424463.db2.gz RCZJLQWLYQHAIZ-NUJGCVRESA-N 1 2 361.486 2.681 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nocc1C ZINC001089699852 991424467 /nfs/dbraw/zinc/42/44/67/991424467.db2.gz RCZJLQWLYQHAIZ-NUJGCVRESA-N 1 2 361.486 2.681 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(CNc2cc[nH+]c(C)n2)cc1 ZINC001063425204 991481369 /nfs/dbraw/zinc/48/13/69/991481369.db2.gz ZXPUDSAFBCUZGH-MSOLQXFVSA-N 1 2 352.438 2.604 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@@H]1CCCCO1 ZINC001079577637 992218619 /nfs/dbraw/zinc/21/86/19/992218619.db2.gz KGKCLTBIKYMUTQ-LZQZEXGQSA-N 1 2 360.885 2.697 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@@H]1CCCCO1 ZINC001079577637 992218625 /nfs/dbraw/zinc/21/86/25/992218625.db2.gz KGKCLTBIKYMUTQ-LZQZEXGQSA-N 1 2 360.885 2.697 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@H]1CCCCO1 ZINC001079577636 992219424 /nfs/dbraw/zinc/21/94/24/992219424.db2.gz KGKCLTBIKYMUTQ-ATZDWAIDSA-N 1 2 360.885 2.697 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@H]1CCCCO1 ZINC001079577636 992219435 /nfs/dbraw/zinc/21/94/35/992219435.db2.gz KGKCLTBIKYMUTQ-ATZDWAIDSA-N 1 2 360.885 2.697 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2F)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079593803 992246573 /nfs/dbraw/zinc/24/65/73/992246573.db2.gz GGAQINRIBHYRKT-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2F)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079593803 992246583 /nfs/dbraw/zinc/24/65/83/992246583.db2.gz GGAQINRIBHYRKT-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001079720919 992359374 /nfs/dbraw/zinc/35/93/74/992359374.db2.gz BITFWUYITXEHGY-VQHPVUNQSA-N 1 2 361.486 2.716 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001079720919 992359381 /nfs/dbraw/zinc/35/93/81/992359381.db2.gz BITFWUYITXEHGY-VQHPVUNQSA-N 1 2 361.486 2.716 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032040457 992736952 /nfs/dbraw/zinc/73/69/52/992736952.db2.gz DVOOVVBYWLNBGA-ICSRJNTNSA-N 1 2 371.456 2.617 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ncc(C)o3)C[C@H]2C)cc1 ZINC001080575440 993181406 /nfs/dbraw/zinc/18/14/06/993181406.db2.gz WEJQFDMIOACSBI-SIXWZSSISA-N 1 2 367.449 2.806 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ncc(C)o3)C[C@H]2C)cc1 ZINC001080575440 993181414 /nfs/dbraw/zinc/18/14/14/993181414.db2.gz WEJQFDMIOACSBI-SIXWZSSISA-N 1 2 367.449 2.806 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC001080582742 993188846 /nfs/dbraw/zinc/18/88/46/993188846.db2.gz ZZBNLBHHICUGOB-BVUBDWEXSA-N 1 2 371.319 2.703 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC001080582742 993188847 /nfs/dbraw/zinc/18/88/47/993188847.db2.gz ZZBNLBHHICUGOB-BVUBDWEXSA-N 1 2 371.319 2.703 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001081157861 993705847 /nfs/dbraw/zinc/70/58/47/993705847.db2.gz DPGDIVAFXXOYJO-DLBZAZTESA-N 1 2 356.495 2.835 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)CC1=CCCCC1 ZINC001081444120 993848933 /nfs/dbraw/zinc/84/89/33/993848933.db2.gz VZVZCMGHGMSHRL-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)CC1=CCCCC1 ZINC001081444120 993848937 /nfs/dbraw/zinc/84/89/37/993848937.db2.gz VZVZCMGHGMSHRL-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CC1=CCCCC1 ZINC001081443425 993849050 /nfs/dbraw/zinc/84/90/50/993849050.db2.gz FNHQLUJOKMBAKP-QZTJIDSGSA-N 1 2 359.495 2.826 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CC1=CCCCC1 ZINC001081443425 993849057 /nfs/dbraw/zinc/84/90/57/993849057.db2.gz FNHQLUJOKMBAKP-QZTJIDSGSA-N 1 2 359.495 2.826 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)[C@H]1CC1(C)C ZINC001081548820 993887880 /nfs/dbraw/zinc/88/78/80/993887880.db2.gz WRPMIOSHUJQZMH-KZNAEPCWSA-N 1 2 360.885 2.553 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)[C@H]1CC1(C)C ZINC001081548820 993887887 /nfs/dbraw/zinc/88/78/87/993887887.db2.gz WRPMIOSHUJQZMH-KZNAEPCWSA-N 1 2 360.885 2.553 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[C@@H]1C=CCCC1 ZINC001081847238 994017949 /nfs/dbraw/zinc/01/79/49/994017949.db2.gz YOUKAWHRZPRCLL-CDHQVMDDSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[C@@H]1C=CCCC1 ZINC001081847238 994017957 /nfs/dbraw/zinc/01/79/57/994017957.db2.gz YOUKAWHRZPRCLL-CDHQVMDDSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001081971829 994080313 /nfs/dbraw/zinc/08/03/13/994080313.db2.gz XJOZRXUTANLDNA-NWRWZVFGSA-N 1 2 367.493 2.700 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001081971829 994080323 /nfs/dbraw/zinc/08/03/23/994080323.db2.gz XJOZRXUTANLDNA-NWRWZVFGSA-N 1 2 367.493 2.700 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@@H]1CC=CCC1 ZINC001082029668 994128161 /nfs/dbraw/zinc/12/81/61/994128161.db2.gz WKDKWPACDTYGRY-NSISKUIASA-N 1 2 353.466 2.620 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@@H]1CC=CCC1 ZINC001082029668 994128166 /nfs/dbraw/zinc/12/81/66/994128166.db2.gz WKDKWPACDTYGRY-NSISKUIASA-N 1 2 353.466 2.620 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H](C)c1ccsc1 ZINC001082125090 994178963 /nfs/dbraw/zinc/17/89/63/994178963.db2.gz ISVYWCVIYLAYOT-GDIGMMSISA-N 1 2 369.490 2.739 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H](C)c1ccsc1 ZINC001082125090 994178966 /nfs/dbraw/zinc/17/89/66/994178966.db2.gz ISVYWCVIYLAYOT-GDIGMMSISA-N 1 2 369.490 2.739 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H](C)c1ccccc1 ZINC001082330398 994371630 /nfs/dbraw/zinc/37/16/30/994371630.db2.gz SLJZBSAJMMPTCM-GDIGMMSISA-N 1 2 369.490 2.739 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H](C)c1ccccc1 ZINC001082330398 994371641 /nfs/dbraw/zinc/37/16/41/994371641.db2.gz SLJZBSAJMMPTCM-GDIGMMSISA-N 1 2 369.490 2.739 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CC[C@H](C)CC1 ZINC001082335126 994380176 /nfs/dbraw/zinc/38/01/76/994380176.db2.gz XSYZVOHVLAKFRF-DTTOXWODSA-N 1 2 361.511 2.761 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CC[C@H](C)CC1 ZINC001082335126 994380181 /nfs/dbraw/zinc/38/01/81/994380181.db2.gz XSYZVOHVLAKFRF-DTTOXWODSA-N 1 2 361.511 2.761 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cccc(C)c1C ZINC001082352987 994442396 /nfs/dbraw/zinc/44/23/96/994442396.db2.gz YOGOJYGSMBVHDY-RTBURBONSA-N 1 2 369.490 2.866 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cccc(C)c1C ZINC001082352987 994442399 /nfs/dbraw/zinc/44/23/99/994442399.db2.gz YOGOJYGSMBVHDY-RTBURBONSA-N 1 2 369.490 2.866 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cccn1C(C)C ZINC001082373084 994475683 /nfs/dbraw/zinc/47/56/83/994475683.db2.gz QKIJHKBVTHCHGH-UYAOXDASSA-N 1 2 366.465 2.570 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cccn1C(C)C ZINC001082373084 994475688 /nfs/dbraw/zinc/47/56/88/994475688.db2.gz QKIJHKBVTHCHGH-UYAOXDASSA-N 1 2 366.465 2.570 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CC2CCC1CC2 ZINC001082386769 994506051 /nfs/dbraw/zinc/50/60/51/994506051.db2.gz VXTFNILQFXXNBN-CRNKOGSUSA-N 1 2 367.493 2.700 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CC2CCC1CC2 ZINC001082386769 994506064 /nfs/dbraw/zinc/50/60/64/994506064.db2.gz VXTFNILQFXXNBN-CRNKOGSUSA-N 1 2 367.493 2.700 20 30 FFEDLO COc1cccc(NC(=O)[C@H](C#N)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)c1 ZINC000810529948 994812490 /nfs/dbraw/zinc/81/24/90/994812490.db2.gz RSNRSVHXTBYPHN-DNVCBOLYSA-N 1 2 361.417 2.555 20 30 FFEDLO COc1cccc(NC(=O)[C@H](C#N)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)c1 ZINC000810529948 994812498 /nfs/dbraw/zinc/81/24/98/994812498.db2.gz RSNRSVHXTBYPHN-DNVCBOLYSA-N 1 2 361.417 2.555 20 30 FFEDLO C#Cc1ccccc1CC(=O)OC[C@H]1CCC[N@H+]1CC(=O)OC(C)(C)C ZINC000810604016 994846342 /nfs/dbraw/zinc/84/63/42/994846342.db2.gz ISZSSVXLSFVLHJ-GOSISDBHSA-N 1 2 357.450 2.560 20 30 FFEDLO C#Cc1ccccc1CC(=O)OC[C@H]1CCC[N@@H+]1CC(=O)OC(C)(C)C ZINC000810604016 994846349 /nfs/dbraw/zinc/84/63/49/994846349.db2.gz ISZSSVXLSFVLHJ-GOSISDBHSA-N 1 2 357.450 2.560 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CC(C)C)no2)C1 ZINC001082561604 994941366 /nfs/dbraw/zinc/94/13/66/994941366.db2.gz DRQVVBNLTWKUSI-HZPDHXFCSA-N 1 2 371.485 2.506 20 30 FFEDLO C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2[nH]nc3ccccc32)C[C@H]1C ZINC001082896043 995768997 /nfs/dbraw/zinc/76/89/97/995768997.db2.gz ZJRVRPKEMUDPJI-QMTHXVAHSA-N 1 2 363.259 2.522 20 30 FFEDLO Cc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@H]32)s1 ZINC001082982525 995950083 /nfs/dbraw/zinc/95/00/83/995950083.db2.gz ZWYJGGZXVQGPSA-ZWKOTPCHSA-N 1 2 367.474 2.654 20 30 FFEDLO Cc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@@H]32)s1 ZINC001082982525 995950087 /nfs/dbraw/zinc/95/00/87/995950087.db2.gz ZWYJGGZXVQGPSA-ZWKOTPCHSA-N 1 2 367.474 2.654 20 30 FFEDLO O=C(C1CC=CC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001083031530 996021807 /nfs/dbraw/zinc/02/18/07/996021807.db2.gz HYDQWRMVBLMGEE-VQTJNVASSA-N 1 2 370.880 2.569 20 30 FFEDLO O=C(C1CC=CC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001083031530 996021813 /nfs/dbraw/zinc/02/18/13/996021813.db2.gz HYDQWRMVBLMGEE-VQTJNVASSA-N 1 2 370.880 2.569 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](C/C=C/Cl)C[C@@H]32)cc1 ZINC001083123829 996063363 /nfs/dbraw/zinc/06/33/63/996063363.db2.gz VRMQBCRVNVHNKO-IINIBRLJSA-N 1 2 362.857 2.529 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](C/C=C/Cl)C[C@@H]32)cc1 ZINC001083123829 996063366 /nfs/dbraw/zinc/06/33/66/996063366.db2.gz VRMQBCRVNVHNKO-IINIBRLJSA-N 1 2 362.857 2.529 20 30 FFEDLO O=C([C@@H]1CCCC12CC2)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083119886 996069067 /nfs/dbraw/zinc/06/90/67/996069067.db2.gz OVDCAEAZCYADLB-PCCBWWKXSA-N 1 2 364.489 2.530 20 30 FFEDLO O=C([C@@H]1CCCC12CC2)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083119886 996069073 /nfs/dbraw/zinc/06/90/73/996069073.db2.gz OVDCAEAZCYADLB-PCCBWWKXSA-N 1 2 364.489 2.530 20 30 FFEDLO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(-c4ccccc4)[nH]n3)[C@H]2C1 ZINC001083136366 996102206 /nfs/dbraw/zinc/10/22/06/996102206.db2.gz SWWVHPLWIURWLA-VQTJNVASSA-N 1 2 366.465 2.568 20 30 FFEDLO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(-c4ccccc4)[nH]n3)[C@H]2C1 ZINC001083136366 996102211 /nfs/dbraw/zinc/10/22/11/996102211.db2.gz SWWVHPLWIURWLA-VQTJNVASSA-N 1 2 366.465 2.568 20 30 FFEDLO Cc1noc(C)c1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084180801 996311567 /nfs/dbraw/zinc/31/15/67/996311567.db2.gz OWHFVRYUFKMRPM-SJLPKXTDSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1noc(C)c1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084180801 996311561 /nfs/dbraw/zinc/31/15/61/996311561.db2.gz OWHFVRYUFKMRPM-SJLPKXTDSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1ccoc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084189909 996321749 /nfs/dbraw/zinc/32/17/49/996321749.db2.gz KFPUMZYCURQUDB-CRAIPNDOSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1ccoc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084189909 996321754 /nfs/dbraw/zinc/32/17/54/996321754.db2.gz KFPUMZYCURQUDB-CRAIPNDOSA-N 1 2 353.397 2.945 20 30 FFEDLO CC[C@H](SC)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084284219 996430314 /nfs/dbraw/zinc/43/03/14/996430314.db2.gz ZTRCVAUJWJEHOJ-QRQLOZEOSA-N 1 2 360.498 2.852 20 30 FFEDLO CC[C@H](SC)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084284219 996430318 /nfs/dbraw/zinc/43/03/18/996430318.db2.gz ZTRCVAUJWJEHOJ-QRQLOZEOSA-N 1 2 360.498 2.852 20 30 FFEDLO O=C(C#CC1CC1)N1C[C@H]2CC[N@H+](Cc3cc(-c4ccccc4)on3)C[C@H]21 ZINC001084328633 996458357 /nfs/dbraw/zinc/45/83/57/996458357.db2.gz BNPDMXZWRINBMW-UYAOXDASSA-N 1 2 361.445 2.788 20 30 FFEDLO O=C(C#CC1CC1)N1C[C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)on3)C[C@H]21 ZINC001084328633 996458362 /nfs/dbraw/zinc/45/83/62/996458362.db2.gz BNPDMXZWRINBMW-UYAOXDASSA-N 1 2 361.445 2.788 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4occc4[nH]3)[C@@H]2C1 ZINC001084384207 996509741 /nfs/dbraw/zinc/50/97/41/996509741.db2.gz SSTKRVIRUZNUGD-VQIMIIECSA-N 1 2 360.417 2.979 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4occc4[nH]3)[C@@H]2C1 ZINC001084384207 996509743 /nfs/dbraw/zinc/50/97/43/996509743.db2.gz SSTKRVIRUZNUGD-VQIMIIECSA-N 1 2 360.417 2.979 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)c(C)s1 ZINC001084443655 996596786 /nfs/dbraw/zinc/59/67/86/996596786.db2.gz VSPMPZNGLFBYBJ-RTBURBONSA-N 1 2 365.502 2.958 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)c(C)s1 ZINC001084443655 996596789 /nfs/dbraw/zinc/59/67/89/996596789.db2.gz VSPMPZNGLFBYBJ-RTBURBONSA-N 1 2 365.502 2.958 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cc(C5CC5)on4)[C@@H]3C2)s1 ZINC001084555879 996674946 /nfs/dbraw/zinc/67/49/46/996674946.db2.gz UYCAIEZOWHQKIF-CXAGYDPISA-N 1 2 368.462 2.832 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C5CC5)on4)[C@@H]3C2)s1 ZINC001084555879 996674949 /nfs/dbraw/zinc/67/49/49/996674949.db2.gz UYCAIEZOWHQKIF-CXAGYDPISA-N 1 2 368.462 2.832 20 30 FFEDLO O=C(c1cc(C(F)F)n[nH]1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084652751 996764905 /nfs/dbraw/zinc/76/49/05/996764905.db2.gz INQMHWAUNDAWGY-CRAIPNDOSA-N 1 2 370.403 2.545 20 30 FFEDLO O=C(c1cc(C(F)F)n[nH]1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084652751 996764909 /nfs/dbraw/zinc/76/49/09/996764909.db2.gz INQMHWAUNDAWGY-CRAIPNDOSA-N 1 2 370.403 2.545 20 30 FFEDLO N#CCOc1ccc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)cc1 ZINC001212611383 996968043 /nfs/dbraw/zinc/96/80/43/996968043.db2.gz SQHAJLROEIWSSN-UHFFFAOYSA-N 1 2 364.449 2.853 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000730279591 997058686 /nfs/dbraw/zinc/05/86/86/997058686.db2.gz DAFSCLUNYPSTOM-FQEVSTJZSA-N 1 2 361.445 2.653 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000730279591 997058697 /nfs/dbraw/zinc/05/86/97/997058697.db2.gz DAFSCLUNYPSTOM-FQEVSTJZSA-N 1 2 361.445 2.653 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)ccn1 ZINC001084732286 997113790 /nfs/dbraw/zinc/11/37/90/997113790.db2.gz MNHXLZAXQPSQGR-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)ccn1 ZINC001084732286 997113801 /nfs/dbraw/zinc/11/38/01/997113801.db2.gz MNHXLZAXQPSQGR-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1c[nH]c2cc(C)ccc12 ZINC001136970184 997166156 /nfs/dbraw/zinc/16/61/56/997166156.db2.gz JEXIBTZISCTEPH-LJQANCHMSA-N 1 2 351.454 2.907 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1c[nH]c2cc(C)ccc12 ZINC001136970184 997166167 /nfs/dbraw/zinc/16/61/67/997166167.db2.gz JEXIBTZISCTEPH-LJQANCHMSA-N 1 2 351.454 2.907 20 30 FFEDLO C[C@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)CCCOC1 ZINC001084744346 997169598 /nfs/dbraw/zinc/16/95/98/997169598.db2.gz GNPJNYAAZHURGO-QFUCXCTJSA-N 1 2 371.456 2.547 20 30 FFEDLO C[C@]1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)CCCOC1 ZINC001084744346 997169604 /nfs/dbraw/zinc/16/96/04/997169604.db2.gz GNPJNYAAZHURGO-QFUCXCTJSA-N 1 2 371.456 2.547 20 30 FFEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)C#Cc3cccs3)CCCC2)no1 ZINC000825404883 997364055 /nfs/dbraw/zinc/36/40/55/997364055.db2.gz CBCHAPBSOWZRCH-UHFFFAOYSA-N 1 2 372.494 2.910 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001056423721 1016138263 /nfs/dbraw/zinc/13/82/63/1016138263.db2.gz RRFKOQNHQBXGGR-JOCBIADPSA-N 1 2 370.497 2.707 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001056423721 1016138271 /nfs/dbraw/zinc/13/82/71/1016138271.db2.gz RRFKOQNHQBXGGR-JOCBIADPSA-N 1 2 370.497 2.707 20 30 FFEDLO Cc1nsc(C)c1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084856930 997684783 /nfs/dbraw/zinc/68/47/83/997684783.db2.gz CDCVIYMGRYJVHJ-RTBURBONSA-N 1 2 365.502 2.958 20 30 FFEDLO Cc1nsc(C)c1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084856930 997684789 /nfs/dbraw/zinc/68/47/89/997684789.db2.gz CDCVIYMGRYJVHJ-RTBURBONSA-N 1 2 365.502 2.958 20 30 FFEDLO COc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)cc1 ZINC000844267569 997753917 /nfs/dbraw/zinc/75/39/17/997753917.db2.gz GORVFYQAHBDBBS-UHFFFAOYSA-N 1 2 352.394 2.797 20 30 FFEDLO C/C(=C\C(=O)NCCn1cc[nH+]c1)C(=O)c1ccc(Br)cc1 ZINC001143876850 997759712 /nfs/dbraw/zinc/75/97/12/997759712.db2.gz NYCKHIJJBJCXGQ-ZRDIBKRKSA-N 1 2 362.227 2.591 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccn3)C[C@@H]21 ZINC001084879583 997785436 /nfs/dbraw/zinc/78/54/36/997785436.db2.gz CGPOLDDLFPNEJP-QRWLVFNGSA-N 1 2 364.424 2.829 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccn3)C[C@@H]21 ZINC001084879583 997785451 /nfs/dbraw/zinc/78/54/51/997785451.db2.gz CGPOLDDLFPNEJP-QRWLVFNGSA-N 1 2 364.424 2.829 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1OC ZINC001090941155 997888246 /nfs/dbraw/zinc/88/82/46/997888246.db2.gz NGPYRZMHKODHTC-JXXFODFXSA-N 1 2 358.486 2.585 20 30 FFEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001144078635 997997639 /nfs/dbraw/zinc/99/76/39/997997639.db2.gz VTLAQRMRCAUIGZ-KRWDZBQOSA-N 1 2 365.437 2.727 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cncc(C)c3)C[C@@H]21 ZINC001084910588 998028720 /nfs/dbraw/zinc/02/87/20/998028720.db2.gz NRIKCCSTPULVCR-ZBFHGGJFSA-N 1 2 364.287 2.835 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cncc(C)c3)C[C@@H]21 ZINC001084910588 998028730 /nfs/dbraw/zinc/02/87/30/998028730.db2.gz NRIKCCSTPULVCR-ZBFHGGJFSA-N 1 2 364.287 2.835 20 30 FFEDLO CC(C)C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(C#N)cn2)C1)n1cc[nH+]c1 ZINC001091009193 998172704 /nfs/dbraw/zinc/17/27/04/998172704.db2.gz ZKTRRKPJVCXCON-KBAYOESNSA-N 1 2 366.469 2.696 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3[nH]ccc3C)C[C@@H]21 ZINC001084931811 998175890 /nfs/dbraw/zinc/17/58/90/998175890.db2.gz ROZSYWDETUNMSE-KGLIPLIRSA-N 1 2 352.276 2.768 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3[nH]ccc3C)C[C@@H]21 ZINC001084931811 998175896 /nfs/dbraw/zinc/17/58/96/998175896.db2.gz ROZSYWDETUNMSE-KGLIPLIRSA-N 1 2 352.276 2.768 20 30 FFEDLO C=CCCCC(=O)N1CCO[C@@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@@H]21 ZINC001091061233 998421091 /nfs/dbraw/zinc/42/10/91/998421091.db2.gz POIPJJRGCAFCAB-DLBZAZTESA-N 1 2 358.486 2.681 20 30 FFEDLO C[C@@H](CC(=O)OCC(=O)N(CCC#N)c1cccc(Cl)c1)n1cc[nH+]c1 ZINC000845278376 998461908 /nfs/dbraw/zinc/46/19/08/998461908.db2.gz NVNZRGFQVVNAIM-AWEZNQCLSA-N 1 2 374.828 2.978 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ocnc3C(F)(F)F)C[C@@H]21 ZINC001084998211 998604449 /nfs/dbraw/zinc/60/44/49/998604449.db2.gz AFYPZIQWASKLNW-MNOVXSKESA-N 1 2 363.767 2.982 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ocnc3C(F)(F)F)C[C@@H]21 ZINC001084998211 998604460 /nfs/dbraw/zinc/60/44/60/998604460.db2.gz AFYPZIQWASKLNW-MNOVXSKESA-N 1 2 363.767 2.982 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001085004874 998651516 /nfs/dbraw/zinc/65/15/16/998651516.db2.gz QJLYIJSIXRXPDT-ZBFHGGJFSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001085004874 998651519 /nfs/dbraw/zinc/65/15/19/998651519.db2.gz QJLYIJSIXRXPDT-ZBFHGGJFSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccnc3C)C[C@@H]21 ZINC001085019777 998691301 /nfs/dbraw/zinc/69/13/01/998691301.db2.gz ONVLGRQWNUEJMC-ZBFHGGJFSA-N 1 2 364.287 2.835 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccnc3C)C[C@@H]21 ZINC001085019777 998691303 /nfs/dbraw/zinc/69/13/03/998691303.db2.gz ONVLGRQWNUEJMC-ZBFHGGJFSA-N 1 2 364.287 2.835 20 30 FFEDLO C[C@]1(CNc2cccc(F)c2C#N)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001065508436 999117533 /nfs/dbraw/zinc/11/75/33/999117533.db2.gz KBQZTLMWIWCFGG-ARGWCVDVSA-N 1 2 367.428 2.875 20 30 FFEDLO C[C@]1(CNc2cccc(F)c2C#N)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001065508436 999117535 /nfs/dbraw/zinc/11/75/35/999117535.db2.gz KBQZTLMWIWCFGG-ARGWCVDVSA-N 1 2 367.428 2.875 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000734167963 999218690 /nfs/dbraw/zinc/21/86/90/999218690.db2.gz IUYVTZPQXJIUFY-UHFFFAOYSA-N 1 2 353.422 2.718 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001085600287 999586307 /nfs/dbraw/zinc/58/63/07/999586307.db2.gz PDBMEMFCBZSUHP-NJYVYQBISA-N 1 2 370.468 2.691 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001085600287 999586309 /nfs/dbraw/zinc/58/63/09/999586309.db2.gz PDBMEMFCBZSUHP-NJYVYQBISA-N 1 2 370.468 2.691 20 30 FFEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001085718475 999613467 /nfs/dbraw/zinc/61/34/67/999613467.db2.gz SHVCEJKMTDBYIE-BHIFYINESA-N 1 2 366.505 2.634 20 30 FFEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001085718475 999613468 /nfs/dbraw/zinc/61/34/68/999613468.db2.gz SHVCEJKMTDBYIE-BHIFYINESA-N 1 2 366.505 2.634 20 30 FFEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001085730870 999617966 /nfs/dbraw/zinc/61/79/66/999617966.db2.gz KTXZPBTWCZXBDN-HLNWXESRSA-N 1 2 371.456 2.545 20 30 FFEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001085730870 999617967 /nfs/dbraw/zinc/61/79/67/999617967.db2.gz KTXZPBTWCZXBDN-HLNWXESRSA-N 1 2 371.456 2.545 20 30 FFEDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000741147935 999711832 /nfs/dbraw/zinc/71/18/32/999711832.db2.gz FOPQFFCILBBHEK-IBGZPJMESA-N 1 2 371.481 2.968 20 30 FFEDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000741147935 999711835 /nfs/dbraw/zinc/71/18/35/999711835.db2.gz FOPQFFCILBBHEK-IBGZPJMESA-N 1 2 371.481 2.968 20 30 FFEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001108327742 999990035 /nfs/dbraw/zinc/99/00/35/999990035.db2.gz RELXZVCECUIGCT-KSMMKXTCSA-N 1 2 368.399 2.601 20 30 FFEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001108327742 999990037 /nfs/dbraw/zinc/99/00/37/999990037.db2.gz RELXZVCECUIGCT-KSMMKXTCSA-N 1 2 368.399 2.601 20 30 FFEDLO CCOC(=O)c1cncn1-c1ccc([NH+]=C(NO)c2ccc(C)cn2)cc1 ZINC001169411906 1000047715 /nfs/dbraw/zinc/04/77/15/1000047715.db2.gz KVZNBBOLBZYMIS-UHFFFAOYSA-N 1 2 365.393 2.810 20 30 FFEDLO COc1ccc(CNc2cc(/C=N/[S@](=O)C(C)(C)C)cc(C)[nH+]2)nn1 ZINC001169467988 1000052373 /nfs/dbraw/zinc/05/23/73/1000052373.db2.gz UUPVZAMDEZXNEW-LQPVASENSA-N 1 2 361.471 2.682 20 30 FFEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NC[C@@H]2COC(C)(C)O2)[nH+]1 ZINC001169908700 1000085571 /nfs/dbraw/zinc/08/55/71/1000085571.db2.gz INVICNCVNOSHMB-HTYBGMNRSA-N 1 2 353.488 2.835 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001108727968 1000103271 /nfs/dbraw/zinc/10/32/71/1000103271.db2.gz UAELQMNFKSYCKN-XCRHUMRWSA-N 1 2 358.486 2.562 20 30 FFEDLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC(C)=O)C3)cc1C#N ZINC001108925841 1000130932 /nfs/dbraw/zinc/13/09/32/1000130932.db2.gz GLGGEOQYDARUTA-QYZOEREBSA-N 1 2 369.465 2.548 20 30 FFEDLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC(C)=O)C3)cc1C#N ZINC001108925841 1000130934 /nfs/dbraw/zinc/13/09/34/1000130934.db2.gz GLGGEOQYDARUTA-QYZOEREBSA-N 1 2 369.465 2.548 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001108999845 1000147146 /nfs/dbraw/zinc/14/71/46/1000147146.db2.gz VHOSZANTKSLZNH-JBCDFXQESA-N 1 2 373.472 2.980 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001108999845 1000147147 /nfs/dbraw/zinc/14/71/47/1000147147.db2.gz VHOSZANTKSLZNH-JBCDFXQESA-N 1 2 373.472 2.980 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC(F)(F)F)C3)c(F)c1 ZINC001109021306 1000151427 /nfs/dbraw/zinc/15/14/27/1000151427.db2.gz MGEJIFGIPNSTDC-SNPRPXQTSA-N 1 2 355.335 2.871 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC(F)(F)F)C3)c(F)c1 ZINC001109021306 1000151428 /nfs/dbraw/zinc/15/14/28/1000151428.db2.gz MGEJIFGIPNSTDC-SNPRPXQTSA-N 1 2 355.335 2.871 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109020542 1000151431 /nfs/dbraw/zinc/15/14/31/1000151431.db2.gz YYIZCXKBSOPDJI-KTGNWYGMSA-N 1 2 373.472 2.980 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109020542 1000151432 /nfs/dbraw/zinc/15/14/32/1000151432.db2.gz YYIZCXKBSOPDJI-KTGNWYGMSA-N 1 2 373.472 2.980 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc2c(c1)CCC2 ZINC001109043117 1000155030 /nfs/dbraw/zinc/15/50/30/1000155030.db2.gz LZNFBLSIEIDNAO-AABGKKOBSA-N 1 2 367.493 2.802 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc2c(c1)CCC2 ZINC001109043117 1000155032 /nfs/dbraw/zinc/15/50/32/1000155032.db2.gz LZNFBLSIEIDNAO-AABGKKOBSA-N 1 2 367.493 2.802 20 30 FFEDLO CSC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109075935 1000162365 /nfs/dbraw/zinc/16/23/65/1000162365.db2.gz ITXKTQGSGFCSMA-ZYUBPSHWSA-N 1 2 361.486 2.918 20 30 FFEDLO CSC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109075935 1000162366 /nfs/dbraw/zinc/16/23/66/1000162366.db2.gz ITXKTQGSGFCSMA-ZYUBPSHWSA-N 1 2 361.486 2.918 20 30 FFEDLO COc1ccc2nc(C[N@@H+]3[C@@H]4CC[C@H]3[C@@H](NC(=O)[C@H](C)C#N)C4)sc2c1 ZINC001109080019 1000162963 /nfs/dbraw/zinc/16/29/63/1000162963.db2.gz IXYQWFYEQZMGBK-MPTQWLOMSA-N 1 2 370.478 2.686 20 30 FFEDLO COc1ccc2nc(C[N@H+]3[C@@H]4CC[C@H]3[C@@H](NC(=O)[C@H](C)C#N)C4)sc2c1 ZINC001109080019 1000162964 /nfs/dbraw/zinc/16/29/64/1000162964.db2.gz IXYQWFYEQZMGBK-MPTQWLOMSA-N 1 2 370.478 2.686 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1coc(-c2ccccc2)n1 ZINC001109090027 1000166404 /nfs/dbraw/zinc/16/64/04/1000166404.db2.gz AOXZRXZZJBBFHZ-NBMRYCAZSA-N 1 2 350.422 2.723 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1coc(-c2ccccc2)n1 ZINC001109090027 1000166405 /nfs/dbraw/zinc/16/64/05/1000166405.db2.gz AOXZRXZZJBBFHZ-NBMRYCAZSA-N 1 2 350.422 2.723 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)sc1C ZINC001109120364 1000169838 /nfs/dbraw/zinc/16/98/38/1000169838.db2.gz PERPUIPYRLBVCR-RYRKJORJSA-N 1 2 363.527 2.964 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)sc1C ZINC001109120364 1000169841 /nfs/dbraw/zinc/16/98/41/1000169841.db2.gz PERPUIPYRLBVCR-RYRKJORJSA-N 1 2 363.527 2.964 20 30 FFEDLO COc1ccc(Cl)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC2CC2)C3)c1 ZINC001109257640 1000204068 /nfs/dbraw/zinc/20/40/68/1000204068.db2.gz GLSDEXNDOHRJDI-MNEFBYGVSA-N 1 2 358.869 2.984 20 30 FFEDLO COc1ccc(Cl)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC2CC2)C3)c1 ZINC001109257640 1000204071 /nfs/dbraw/zinc/20/40/71/1000204071.db2.gz GLSDEXNDOHRJDI-MNEFBYGVSA-N 1 2 358.869 2.984 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccc(F)cc1 ZINC001109351129 1000296510 /nfs/dbraw/zinc/29/65/10/1000296510.db2.gz OLHACWWDFVYORG-QYZOEREBSA-N 1 2 373.472 2.520 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccc(F)cc1 ZINC001109351129 1000296514 /nfs/dbraw/zinc/29/65/14/1000296514.db2.gz OLHACWWDFVYORG-QYZOEREBSA-N 1 2 373.472 2.520 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)o1)OCC ZINC001109357457 1000303300 /nfs/dbraw/zinc/30/33/00/1000303300.db2.gz IMIUVOASTFUVPK-OWSLCNJRSA-N 1 2 361.486 2.884 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)o1)OCC ZINC001109357457 1000303308 /nfs/dbraw/zinc/30/33/08/1000303308.db2.gz IMIUVOASTFUVPK-OWSLCNJRSA-N 1 2 361.486 2.884 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000768915272 1000385455 /nfs/dbraw/zinc/38/54/55/1000385455.db2.gz CZNGGGCOLVLCSN-UHFFFAOYSA-N 1 2 361.445 2.631 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000768915272 1000385461 /nfs/dbraw/zinc/38/54/61/1000385461.db2.gz CZNGGGCOLVLCSN-UHFFFAOYSA-N 1 2 361.445 2.631 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnnn1-c1ccccc1 ZINC001109657513 1000795713 /nfs/dbraw/zinc/79/57/13/1000795713.db2.gz SJEFCQDVNVZUKS-HOJAQTOUSA-N 1 2 365.481 2.845 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnnn1-c1ccccc1 ZINC001109657513 1000795716 /nfs/dbraw/zinc/79/57/16/1000795716.db2.gz SJEFCQDVNVZUKS-HOJAQTOUSA-N 1 2 365.481 2.845 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1C ZINC001109659025 1000799245 /nfs/dbraw/zinc/79/92/45/1000799245.db2.gz OWMYRSNDYASWML-AABGKKOBSA-N 1 2 369.509 2.689 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1C ZINC001109659025 1000799251 /nfs/dbraw/zinc/79/92/51/1000799251.db2.gz OWMYRSNDYASWML-AABGKKOBSA-N 1 2 369.509 2.689 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1 ZINC001109682077 1000836206 /nfs/dbraw/zinc/83/62/06/1000836206.db2.gz SMEXIBZZMHSKCE-MDPIYQRISA-N 1 2 369.509 2.627 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1 ZINC001109682077 1000836214 /nfs/dbraw/zinc/83/62/14/1000836214.db2.gz SMEXIBZZMHSKCE-MDPIYQRISA-N 1 2 369.509 2.627 20 30 FFEDLO COCCC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109940900 1001179397 /nfs/dbraw/zinc/17/93/97/1001179397.db2.gz CWIYNAVUOYJJDE-XCLNPWKQSA-N 1 2 355.482 2.842 20 30 FFEDLO COCCC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109940900 1001179400 /nfs/dbraw/zinc/17/94/00/1001179400.db2.gz CWIYNAVUOYJJDE-XCLNPWKQSA-N 1 2 355.482 2.842 20 30 FFEDLO C=CCc1cccc(C[N@H+]2C[C@]3(F)CN([C@@H](C)CC)C(=O)[C@]3(F)C2)c1O ZINC001276179749 1016481709 /nfs/dbraw/zinc/48/17/09/1016481709.db2.gz SBUGRCRDZVZPEN-PNHOKKKMSA-N 1 2 364.436 2.994 20 30 FFEDLO C=CCc1cccc(C[N@@H+]2C[C@]3(F)CN([C@@H](C)CC)C(=O)[C@]3(F)C2)c1O ZINC001276179749 1016481719 /nfs/dbraw/zinc/48/17/19/1016481719.db2.gz SBUGRCRDZVZPEN-PNHOKKKMSA-N 1 2 364.436 2.994 20 30 FFEDLO C=C(C)COc1ccccc1C[NH+]1CC2(C1)COCC(=O)N2CC(=C)C ZINC001276192279 1016504121 /nfs/dbraw/zinc/50/41/21/1016504121.db2.gz JQBBTLKUOBCIQX-UHFFFAOYSA-N 1 2 356.466 2.631 20 30 FFEDLO C=CCCC(=O)N[C@H]1CCN(c2[nH+]c(C)nc(-n3cccn3)c2C)[C@@H]1CC ZINC001091769205 1001793579 /nfs/dbraw/zinc/79/35/79/1001793579.db2.gz NEVVSLKWTYQGGJ-DLBZAZTESA-N 1 2 368.485 2.719 20 30 FFEDLO C(=NNCCc1ccncc1)c1ccc(C=[NH+]NCCc2ccncc2)cc1 ZINC000789098398 1001969147 /nfs/dbraw/zinc/96/91/47/1001969147.db2.gz XVNDMXKQOSDRLT-UHFFFAOYSA-N 1 2 372.476 2.809 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(c2ncnc3c2C[N@H+](C)CC3)[C@@H]1CC ZINC001091826979 1001972945 /nfs/dbraw/zinc/97/29/45/1001972945.db2.gz RRPAYKQLMNRTTF-UEXGIBASSA-N 1 2 371.529 2.540 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(c2ncnc3c2C[N@@H+](C)CC3)[C@@H]1CC ZINC001091826979 1001972953 /nfs/dbraw/zinc/97/29/53/1001972953.db2.gz RRPAYKQLMNRTTF-UEXGIBASSA-N 1 2 371.529 2.540 20 30 FFEDLO C[C@@H](C(=O)N1CC[NH+](CCOc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC001182792760 1002039635 /nfs/dbraw/zinc/03/96/35/1002039635.db2.gz URFSBKPPMTZINN-GOSISDBHSA-N 1 2 363.461 2.885 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001091911116 1002063684 /nfs/dbraw/zinc/06/36/84/1002063684.db2.gz PVBUHVGZPAEPAC-UZLBHIALSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001091911116 1002063691 /nfs/dbraw/zinc/06/36/91/1002063691.db2.gz PVBUHVGZPAEPAC-UZLBHIALSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4nc(CC)no4)C[C@@]3(C)C2)CC1 ZINC001091978499 1002240732 /nfs/dbraw/zinc/24/07/32/1002240732.db2.gz UBJRWSKJLHQIKA-UZLBHIALSA-N 1 2 358.486 2.659 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4nc(CC)no4)C[C@@]3(C)C2)CC1 ZINC001091978499 1002240738 /nfs/dbraw/zinc/24/07/38/1002240738.db2.gz UBJRWSKJLHQIKA-UZLBHIALSA-N 1 2 358.486 2.659 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)CCCOc2ccc(Br)cc2)CC1 ZINC001183758805 1002371394 /nfs/dbraw/zinc/37/13/94/1002371394.db2.gz HWSWMEUUDROLGC-UHFFFAOYSA-N 1 2 367.287 2.938 20 30 FFEDLO C[C@H]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3C#N)CC[C@H]2O1 ZINC001183829631 1002401821 /nfs/dbraw/zinc/40/18/21/1002401821.db2.gz XHCVZGQYNDYUHY-LRGNLBRXSA-N 1 2 367.493 2.939 20 30 FFEDLO C[C@H]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3C#N)CC[C@H]2O1 ZINC001183829631 1002401830 /nfs/dbraw/zinc/40/18/30/1002401830.db2.gz XHCVZGQYNDYUHY-LRGNLBRXSA-N 1 2 367.493 2.939 20 30 FFEDLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cncs2)C3)cc1C#N ZINC001096854237 1016637885 /nfs/dbraw/zinc/63/78/85/1016637885.db2.gz NLFAYVGICCPGEG-OAGGEKHMSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cncs2)C3)cc1C#N ZINC001096854237 1016637889 /nfs/dbraw/zinc/63/78/89/1016637889.db2.gz NLFAYVGICCPGEG-OAGGEKHMSA-N 1 2 368.462 2.559 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+](C/C(Cl)=C/Cl)C[C@@]3(C)C2)nc1 ZINC001092211908 1002563561 /nfs/dbraw/zinc/56/35/61/1002563561.db2.gz TYZCWNHLMKHDPB-STPVIERDSA-N 1 2 364.276 2.776 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](C/C(Cl)=C/Cl)C[C@@]3(C)C2)nc1 ZINC001092211908 1002563569 /nfs/dbraw/zinc/56/35/69/1002563569.db2.gz TYZCWNHLMKHDPB-STPVIERDSA-N 1 2 364.276 2.776 20 30 FFEDLO CCCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2nc(C)ccc2C#N)C1 ZINC001092312649 1002658737 /nfs/dbraw/zinc/65/87/37/1002658737.db2.gz YXOBWLXTSKQLDX-IAGOWNOFSA-N 1 2 366.469 2.592 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2nccc(C)n2)C1 ZINC001092314224 1002662675 /nfs/dbraw/zinc/66/26/75/1002662675.db2.gz BFQMKILDTIVCHJ-HZPDHXFCSA-N 1 2 368.485 2.527 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2nccc(C)n2)C1 ZINC001092315851 1002668611 /nfs/dbraw/zinc/66/86/11/1002668611.db2.gz OJAJGIOJZJSTDZ-BRWVUGGUSA-N 1 2 368.485 2.527 20 30 FFEDLO N#Cc1ccc(NC(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001184754083 1002701803 /nfs/dbraw/zinc/70/18/03/1002701803.db2.gz YOIRENIKYRHDNC-UHFFFAOYSA-N 1 2 366.421 2.913 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(F)nc2)C3)cc1F ZINC001096888222 1016684894 /nfs/dbraw/zinc/68/48/94/1016684894.db2.gz IRWYZMHHQXQWCX-NXHRZFHOSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(F)nc2)C3)cc1F ZINC001096888222 1016684898 /nfs/dbraw/zinc/68/48/98/1016684898.db2.gz IRWYZMHHQXQWCX-NXHRZFHOSA-N 1 2 368.387 2.767 20 30 FFEDLO C=CC(C)(C)CC(=O)NCC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC001092552547 1003106903 /nfs/dbraw/zinc/10/69/03/1003106903.db2.gz XTDDQCOKBVHJQV-HUUCEWRRSA-N 1 2 370.501 2.544 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(F)cc(F)c2)c1 ZINC001096929063 1016750095 /nfs/dbraw/zinc/75/00/95/1016750095.db2.gz TVFJFUMJUVUHKV-NUJGCVRESA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(F)cc(F)c2)c1 ZINC001096929063 1016750105 /nfs/dbraw/zinc/75/01/05/1016750105.db2.gz TVFJFUMJUVUHKV-NUJGCVRESA-N 1 2 356.376 2.700 20 30 FFEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@H](CCNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001092621775 1003322135 /nfs/dbraw/zinc/32/21/35/1003322135.db2.gz ATGAJFVLGMXWTO-CRAIPNDOSA-N 1 2 370.497 2.599 20 30 FFEDLO N#Cc1c2c(cn(C[NH+]3CCC(Cc4cccnc4)CC3)c1=O)CCCC2 ZINC000793512027 1003392380 /nfs/dbraw/zinc/39/23/80/1003392380.db2.gz OVTSBOBBNUQIQK-UHFFFAOYSA-N 1 2 362.477 2.906 20 30 FFEDLO CC(C)SCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001186884971 1003456686 /nfs/dbraw/zinc/45/66/86/1003456686.db2.gz MXWUKMQOUJHMHE-MAUKXSAKSA-N 1 2 361.486 2.872 20 30 FFEDLO CC(C)SCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001186884971 1003456693 /nfs/dbraw/zinc/45/66/93/1003456693.db2.gz MXWUKMQOUJHMHE-MAUKXSAKSA-N 1 2 361.486 2.872 20 30 FFEDLO C[C@@H](c1c(F)cccc1F)[N@@H+]1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 ZINC001186938990 1003480238 /nfs/dbraw/zinc/48/02/38/1003480238.db2.gz ATYPOKSDJMRVHU-HEHGZKQESA-N 1 2 365.449 2.815 20 30 FFEDLO C[C@@H](c1c(F)cccc1F)[N@H+]1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 ZINC001186938990 1003480243 /nfs/dbraw/zinc/48/02/43/1003480243.db2.gz ATYPOKSDJMRVHU-HEHGZKQESA-N 1 2 365.449 2.815 20 30 FFEDLO CCCCCCC[C@@H](C)CNC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000793787478 1003494417 /nfs/dbraw/zinc/49/44/17/1003494417.db2.gz BLUQHTAIWIDDJL-IAGOWNOFSA-N 1 2 362.518 2.849 20 30 FFEDLO O=C(CC#Cc1ccccc1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccns1 ZINC001110135997 1003500018 /nfs/dbraw/zinc/50/00/18/1003500018.db2.gz ZXHDGMZBDWQSTJ-NEWSRXKRSA-N 1 2 351.475 2.806 20 30 FFEDLO O=C(CC#Cc1ccccc1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccns1 ZINC001110135997 1003500022 /nfs/dbraw/zinc/50/00/22/1003500022.db2.gz ZXHDGMZBDWQSTJ-NEWSRXKRSA-N 1 2 351.475 2.806 20 30 FFEDLO C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]nc3c2C[C@@H](C)CC3)C1 ZINC001086617460 1003511503 /nfs/dbraw/zinc/51/15/03/1003511503.db2.gz GKXRIDNSFCOTCP-ZAAXVRCTSA-N 1 2 364.493 2.918 20 30 FFEDLO C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]nc3c2C[C@@H](C)CC3)C1 ZINC001086617460 1003511514 /nfs/dbraw/zinc/51/15/14/1003511514.db2.gz GKXRIDNSFCOTCP-ZAAXVRCTSA-N 1 2 364.493 2.918 20 30 FFEDLO Cc1noc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)c1C ZINC001095592509 1016816080 /nfs/dbraw/zinc/81/60/80/1016816080.db2.gz XQEXSBCXQKIJJC-NJAFHUGGSA-N 1 2 368.412 2.838 20 30 FFEDLO Cc1noc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)c1C ZINC001095592509 1016816088 /nfs/dbraw/zinc/81/60/88/1016816088.db2.gz XQEXSBCXQKIJJC-NJAFHUGGSA-N 1 2 368.412 2.838 20 30 FFEDLO Cn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)c1 ZINC001096951780 1016817872 /nfs/dbraw/zinc/81/78/72/1016817872.db2.gz IEEKDJUDHLRUOF-QRQLOZEOSA-N 1 2 352.413 2.571 20 30 FFEDLO Cn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)c1 ZINC001096951780 1016817883 /nfs/dbraw/zinc/81/78/83/1016817883.db2.gz IEEKDJUDHLRUOF-QRQLOZEOSA-N 1 2 352.413 2.571 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3cc[nH]c3c1)C2 ZINC001095596058 1016820690 /nfs/dbraw/zinc/82/06/90/1016820690.db2.gz WPPXQDPRBOAEAO-QMMLZNLJSA-N 1 2 371.444 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3cc[nH]c3c1)C2 ZINC001095596058 1016820705 /nfs/dbraw/zinc/82/07/05/1016820705.db2.gz WPPXQDPRBOAEAO-QMMLZNLJSA-N 1 2 371.444 2.970 20 30 FFEDLO CCCCC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001196700791 1003918154 /nfs/dbraw/zinc/91/81/54/1003918154.db2.gz JSXUHJGMVYVJTG-ZTFGCOKTSA-N 1 2 363.527 2.888 20 30 FFEDLO CCCCC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001196700791 1003918163 /nfs/dbraw/zinc/91/81/63/1003918163.db2.gz JSXUHJGMVYVJTG-ZTFGCOKTSA-N 1 2 363.527 2.888 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2ccoc2)C3)c1 ZINC001096991661 1016850636 /nfs/dbraw/zinc/85/06/36/1016850636.db2.gz FDQPOQAJUJXLJU-QRQLOZEOSA-N 1 2 353.397 2.755 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2ccoc2)C3)c1 ZINC001096991661 1016850645 /nfs/dbraw/zinc/85/06/45/1016850645.db2.gz FDQPOQAJUJXLJU-QRQLOZEOSA-N 1 2 353.397 2.755 20 30 FFEDLO CC(C)(C)[C@@H]1CSCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC001197298365 1004153798 /nfs/dbraw/zinc/15/37/98/1004153798.db2.gz WZXBCRNECNDSLT-INIZCTEOSA-N 1 2 352.525 2.795 20 30 FFEDLO CC(C)(C)[C@@H]1CSCC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC001197298365 1004153802 /nfs/dbraw/zinc/15/38/02/1004153802.db2.gz WZXBCRNECNDSLT-INIZCTEOSA-N 1 2 352.525 2.795 20 30 FFEDLO COCCn1c[nH+]cc1CNC(=O)c1ccc(-c2ccc(C#N)cc2)o1 ZINC001197400853 1004194522 /nfs/dbraw/zinc/19/45/22/1004194522.db2.gz ATUPDYSHKKGDND-UHFFFAOYSA-N 1 2 350.378 2.591 20 30 FFEDLO O=C(CC#Cc1ccccc1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001111441265 1016861420 /nfs/dbraw/zinc/86/14/20/1016861420.db2.gz FILMFUJFVOFFTB-NJYVYQBISA-N 1 2 363.436 2.884 20 30 FFEDLO O=C(CC#Cc1ccccc1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001111441265 1016861439 /nfs/dbraw/zinc/86/14/39/1016861439.db2.gz FILMFUJFVOFFTB-NJYVYQBISA-N 1 2 363.436 2.884 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC001110496591 1004414206 /nfs/dbraw/zinc/41/42/06/1004414206.db2.gz AEMYXZWTAGLFIK-NBYUQASBSA-N 1 2 367.493 2.847 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC001110496591 1004414211 /nfs/dbraw/zinc/41/42/11/1004414211.db2.gz AEMYXZWTAGLFIK-NBYUQASBSA-N 1 2 367.493 2.847 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)Nc1ccc(C)cc1 ZINC001110497413 1004417627 /nfs/dbraw/zinc/41/76/27/1004417627.db2.gz UTWHPWSMTMAVTP-AFYVEPGGSA-N 1 2 367.493 2.847 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)Nc1ccc(C)cc1 ZINC001110497413 1004417631 /nfs/dbraw/zinc/41/76/31/1004417631.db2.gz UTWHPWSMTMAVTP-AFYVEPGGSA-N 1 2 367.493 2.847 20 30 FFEDLO CC[C@@H](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001193320821 1004451369 /nfs/dbraw/zinc/45/13/69/1004451369.db2.gz ZQQGOHOXEHCSJH-ZTFGCOKTSA-N 1 2 363.527 2.888 20 30 FFEDLO CC[C@@H](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001193320821 1004451370 /nfs/dbraw/zinc/45/13/70/1004451370.db2.gz ZQQGOHOXEHCSJH-ZTFGCOKTSA-N 1 2 363.527 2.888 20 30 FFEDLO N#Cc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1O ZINC001193515554 1004508668 /nfs/dbraw/zinc/50/86/68/1004508668.db2.gz OHHWXFPUFHDTRU-UHFFFAOYSA-N 1 2 360.417 2.552 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccoc1CC)C2 ZINC001110508400 1004632380 /nfs/dbraw/zinc/63/23/80/1004632380.db2.gz AGTXOSHAKPKCCX-NXHRZFHOSA-N 1 2 373.497 2.602 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccoc1CC)C2 ZINC001110508400 1004632382 /nfs/dbraw/zinc/63/23/82/1004632382.db2.gz AGTXOSHAKPKCCX-NXHRZFHOSA-N 1 2 373.497 2.602 20 30 FFEDLO C#CC[N@@H+](CC(=O)NCCOc1c(C)cccc1C)Cc1ccccc1 ZINC001194165176 1004666774 /nfs/dbraw/zinc/66/67/74/1004666774.db2.gz PPKYQUJCMYQMPD-UHFFFAOYSA-N 1 2 350.462 2.934 20 30 FFEDLO C#CC[N@H+](CC(=O)NCCOc1c(C)cccc1C)Cc1ccccc1 ZINC001194165176 1004666779 /nfs/dbraw/zinc/66/67/79/1004666779.db2.gz PPKYQUJCMYQMPD-UHFFFAOYSA-N 1 2 350.462 2.934 20 30 FFEDLO COc1ccncc1CO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000808255616 1004783356 /nfs/dbraw/zinc/78/33/56/1004783356.db2.gz UIFOXLNMGZCCHY-UHFFFAOYSA-N 1 2 364.405 2.901 20 30 FFEDLO CCC[C@@H](CC(C)C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001199253738 1004886227 /nfs/dbraw/zinc/88/62/27/1004886227.db2.gz XDOTWUATNWLMRT-PWRODBHTSA-N 1 2 356.510 2.662 20 30 FFEDLO CCC[C@@H](CC(C)C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001199253738 1004886230 /nfs/dbraw/zinc/88/62/30/1004886230.db2.gz XDOTWUATNWLMRT-PWRODBHTSA-N 1 2 356.510 2.662 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)C[C@H]1O ZINC001195306745 1004938203 /nfs/dbraw/zinc/93/82/03/1004938203.db2.gz GCAHMFZPRXNGPX-HUUCEWRRSA-N 1 2 354.903 2.647 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)s2)C[C@H]1O ZINC001195306745 1004938212 /nfs/dbraw/zinc/93/82/12/1004938212.db2.gz GCAHMFZPRXNGPX-HUUCEWRRSA-N 1 2 354.903 2.647 20 30 FFEDLO CCCCN(CCCC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110541252 1005009559 /nfs/dbraw/zinc/00/95/59/1005009559.db2.gz BTDMCVAALGKYAJ-AQNXPRMDSA-N 1 2 373.541 2.550 20 30 FFEDLO CCCCN(CCCC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110541252 1005009565 /nfs/dbraw/zinc/00/95/65/1005009565.db2.gz BTDMCVAALGKYAJ-AQNXPRMDSA-N 1 2 373.541 2.550 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)c2ccc(F)cc2F)C[C@H]1O ZINC001195726065 1005022554 /nfs/dbraw/zinc/02/25/54/1005022554.db2.gz ROKBDFXGCYLTDP-FGTMMUONSA-N 1 2 352.425 2.934 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)c2ccc(F)cc2F)C[C@H]1O ZINC001195726065 1005022557 /nfs/dbraw/zinc/02/25/57/1005022557.db2.gz ROKBDFXGCYLTDP-FGTMMUONSA-N 1 2 352.425 2.934 20 30 FFEDLO C[N@@H+](Cc1nc(-c2ccccc2F)no1)C[C@@H](O)c1cccc(C#N)c1 ZINC001195876019 1005066692 /nfs/dbraw/zinc/06/66/92/1005066692.db2.gz DWQVKNIEKFSEFC-QGZVFWFLSA-N 1 2 352.369 2.913 20 30 FFEDLO C[N@H+](Cc1nc(-c2ccccc2F)no1)C[C@@H](O)c1cccc(C#N)c1 ZINC001195876019 1005066700 /nfs/dbraw/zinc/06/67/00/1005066700.db2.gz DWQVKNIEKFSEFC-QGZVFWFLSA-N 1 2 352.369 2.913 20 30 FFEDLO Cc1c[nH]nc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001097047469 1016946201 /nfs/dbraw/zinc/94/62/01/1016946201.db2.gz QYCTXDWASZBLNG-KURKYZTESA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1c[nH]nc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001097047469 1016946207 /nfs/dbraw/zinc/94/62/07/1016946207.db2.gz QYCTXDWASZBLNG-KURKYZTESA-N 1 2 368.868 2.758 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2nccs2)CC[C@@H]1c1ccccc1 ZINC001489090462 1005418065 /nfs/dbraw/zinc/41/80/65/1005418065.db2.gz JQDRXEOWGPHZNB-QZTJIDSGSA-N 1 2 371.506 2.820 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2nccs2)CC[C@@H]1c1ccccc1 ZINC001489090462 1005418067 /nfs/dbraw/zinc/41/80/67/1005418067.db2.gz JQDRXEOWGPHZNB-QZTJIDSGSA-N 1 2 371.506 2.820 20 30 FFEDLO COc1ccc(Cl)cc1C[N@@H+]1CC[C@H](NC(=O)CSCC#N)[C@H]1C ZINC001489249131 1005438103 /nfs/dbraw/zinc/43/81/03/1005438103.db2.gz NHBIFUWHAAPVKT-DOMZBBRYSA-N 1 2 367.902 2.684 20 30 FFEDLO COc1ccc(Cl)cc1C[N@H+]1CC[C@H](NC(=O)CSCC#N)[C@H]1C ZINC001489249131 1005438105 /nfs/dbraw/zinc/43/81/05/1005438105.db2.gz NHBIFUWHAAPVKT-DOMZBBRYSA-N 1 2 367.902 2.684 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC(=C)C)C3)c1 ZINC001110609751 1005649469 /nfs/dbraw/zinc/64/94/69/1005649469.db2.gz UXCANPBZIRXUKY-AQNXPRMDSA-N 1 2 365.477 2.684 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC(=C)C)C3)c1 ZINC001110609751 1005649470 /nfs/dbraw/zinc/64/94/70/1005649470.db2.gz UXCANPBZIRXUKY-AQNXPRMDSA-N 1 2 365.477 2.684 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@@H]1C ZINC001490098520 1005660348 /nfs/dbraw/zinc/66/03/48/1005660348.db2.gz QMXKFFMVGJWCRW-FGTMMUONSA-N 1 2 360.502 2.932 20 30 FFEDLO C=CCCC1(CNC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CCCC1 ZINC000850662013 1005830062 /nfs/dbraw/zinc/83/00/62/1005830062.db2.gz CWBZDLHEPHMEHB-QGZVFWFLSA-N 1 2 372.513 2.769 20 30 FFEDLO C[C@]1(C2CC2)C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000852323248 1005976336 /nfs/dbraw/zinc/97/63/36/1005976336.db2.gz YAFREQIYLBVJDY-HRAATJIYSA-N 1 2 362.433 2.725 20 30 FFEDLO C[C@]1(C2CC2)C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000852323248 1005976342 /nfs/dbraw/zinc/97/63/42/1005976342.db2.gz YAFREQIYLBVJDY-HRAATJIYSA-N 1 2 362.433 2.725 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187218145 1005984350 /nfs/dbraw/zinc/98/43/50/1005984350.db2.gz ZZMZKKVURSYDDO-RIFZZMRRSA-N 1 2 371.456 2.711 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187218145 1005984357 /nfs/dbraw/zinc/98/43/57/1005984357.db2.gz ZZMZKKVURSYDDO-RIFZZMRRSA-N 1 2 371.456 2.711 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(C(C)(C)C)cs3)C[C@H]21 ZINC001187281114 1005997991 /nfs/dbraw/zinc/99/79/91/1005997991.db2.gz SGYZZYXZZSLDAA-LSDHHAIUSA-N 1 2 363.527 2.676 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2C[N@H+](Cc3nc(C(C)(C)C)cs3)C[C@H]21 ZINC001187281114 1005997997 /nfs/dbraw/zinc/99/79/97/1005997997.db2.gz SGYZZYXZZSLDAA-LSDHHAIUSA-N 1 2 363.527 2.676 20 30 FFEDLO Cc1ccc(N2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c(C)c1 ZINC000852742861 1006163987 /nfs/dbraw/zinc/16/39/87/1006163987.db2.gz ONOJSUGUJFTUGZ-GHTZIAJQSA-N 1 2 356.514 2.868 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3c(C)cccc3C)C[C@H]21 ZINC001187736987 1006226108 /nfs/dbraw/zinc/22/61/08/1006226108.db2.gz OHDLQSPZKQPIFO-RBUKOAKNSA-N 1 2 367.493 2.578 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3c(C)cccc3C)C[C@H]21 ZINC001187736987 1006226119 /nfs/dbraw/zinc/22/61/19/1006226119.db2.gz OHDLQSPZKQPIFO-RBUKOAKNSA-N 1 2 367.493 2.578 20 30 FFEDLO CCCCCCCCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC001188031024 1006388614 /nfs/dbraw/zinc/38/86/14/1006388614.db2.gz ZZOYPTQIWIOOHX-SFHVURJKSA-N 1 2 353.532 2.936 20 30 FFEDLO CCCCCCCCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC001188031024 1006388628 /nfs/dbraw/zinc/38/86/28/1006388628.db2.gz ZZOYPTQIWIOOHX-SFHVURJKSA-N 1 2 353.532 2.936 20 30 FFEDLO Cc1ccn(C[NH+]2CCC(CCC(=O)OC(C)(C)C)CC2)c(=O)c1C#N ZINC000853551935 1006441906 /nfs/dbraw/zinc/44/19/06/1006441906.db2.gz OWTINHFQFXWTSA-UHFFFAOYSA-N 1 2 359.470 2.820 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1Br ZINC001110401716 1006714126 /nfs/dbraw/zinc/71/41/26/1006714126.db2.gz MKMSJUJNZUJXIE-CUBALJKWSA-N 1 2 362.271 2.830 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1Br ZINC001110401716 1006714135 /nfs/dbraw/zinc/71/41/35/1006714135.db2.gz MKMSJUJNZUJXIE-CUBALJKWSA-N 1 2 362.271 2.830 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1coc(-c2ccccc2)n1 ZINC001110402729 1006750613 /nfs/dbraw/zinc/75/06/13/1006750613.db2.gz AOXZRXZZJBBFHZ-LIRZEXBASA-N 1 2 350.422 2.723 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1coc(-c2ccccc2)n1 ZINC001110402729 1006750627 /nfs/dbraw/zinc/75/06/27/1006750627.db2.gz AOXZRXZZJBBFHZ-LIRZEXBASA-N 1 2 350.422 2.723 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C/COc3ccccc3)CC2)cc1 ZINC000816806354 1007211606 /nfs/dbraw/zinc/21/16/06/1007211606.db2.gz ZHOYPGXTHVMMEO-QPJJXVBHSA-N 1 2 361.445 2.838 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)OCCc3ccccc3)[C@@H]2C1 ZINC001189992452 1007413734 /nfs/dbraw/zinc/41/37/34/1007413734.db2.gz LCGAIMOIZXELDG-YTQUADARSA-N 1 2 362.901 2.919 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)OCCc3ccccc3)[C@@H]2C1 ZINC001189992452 1007413743 /nfs/dbraw/zinc/41/37/43/1007413743.db2.gz LCGAIMOIZXELDG-YTQUADARSA-N 1 2 362.901 2.919 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)co1 ZINC001095332593 1007563222 /nfs/dbraw/zinc/56/32/22/1007563222.db2.gz XEBADNPUUGJNNO-HFTRVMKXSA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)co1 ZINC001095332593 1007563230 /nfs/dbraw/zinc/56/32/30/1007563230.db2.gz XEBADNPUUGJNNO-HFTRVMKXSA-N 1 2 368.412 2.783 20 30 FFEDLO O=C(C=NOCc1cccc(C[NH+]2CCOCC2)c1)Nc1cccc(F)c1 ZINC000817377702 1007571618 /nfs/dbraw/zinc/57/16/18/1007571618.db2.gz YSAQZYQQXAKGQT-UHFFFAOYSA-N 1 2 371.412 2.799 20 30 FFEDLO C[C@@H](c1ncccn1)[N@@H+]1C[C@@H]2CCN(C(=O)CC#Cc3ccccc3)[C@@H]2C1 ZINC001190289628 1007574317 /nfs/dbraw/zinc/57/43/17/1007574317.db2.gz GBJTZFVAFBTOCB-YSIASYRMSA-N 1 2 360.461 2.512 20 30 FFEDLO C[C@@H](c1ncccn1)[N@H+]1C[C@@H]2CCN(C(=O)CC#Cc3ccccc3)[C@@H]2C1 ZINC001190289628 1007574325 /nfs/dbraw/zinc/57/43/25/1007574325.db2.gz GBJTZFVAFBTOCB-YSIASYRMSA-N 1 2 360.461 2.512 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cccc3)[C@@H]2C1 ZINC001190297615 1007579530 /nfs/dbraw/zinc/57/95/30/1007579530.db2.gz KPINYQNZRPAIDP-JKSUJKDBSA-N 1 2 366.303 2.710 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cccc3)[C@@H]2C1 ZINC001190297615 1007579541 /nfs/dbraw/zinc/57/95/41/1007579541.db2.gz KPINYQNZRPAIDP-JKSUJKDBSA-N 1 2 366.303 2.710 20 30 FFEDLO C=CC[C@@]1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CCCN1C(=O)OC(C)(C)C ZINC000857947743 1008257816 /nfs/dbraw/zinc/25/78/16/1008257816.db2.gz VHVALDZVDOMVGA-QRWLVFNGSA-N 1 2 374.485 2.660 20 30 FFEDLO C#C[C@H](C)NC(=O)N(CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000820441928 1008331813 /nfs/dbraw/zinc/33/18/13/1008331813.db2.gz ZVPOTHVOZVRJIS-KRWDZBQOSA-N 1 2 354.454 2.905 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCCNC(=O)c1cccc(OC)c1 ZINC000820644651 1008361470 /nfs/dbraw/zinc/36/14/70/1008361470.db2.gz FNSZRIDJRIAULX-UHFFFAOYSA-N 1 2 353.422 2.724 20 30 FFEDLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000859530320 1008545893 /nfs/dbraw/zinc/54/58/93/1008545893.db2.gz MDGIJBKAMQLVNV-UHFFFAOYSA-N 1 2 371.441 2.955 20 30 FFEDLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000859530320 1008545901 /nfs/dbraw/zinc/54/59/01/1008545901.db2.gz MDGIJBKAMQLVNV-UHFFFAOYSA-N 1 2 371.441 2.955 20 30 FFEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(Br)cn3)CC2)nc1 ZINC001206533577 1032331395 /nfs/dbraw/zinc/33/13/95/1032331395.db2.gz AUDZIQBGHHVLSK-UHFFFAOYSA-N 1 2 372.270 2.823 20 30 FFEDLO N#Cc1ccc(N2CCC[N@H+](Cc3ccc(Br)cn3)CC2)nc1 ZINC001206533577 1032331406 /nfs/dbraw/zinc/33/14/06/1032331406.db2.gz AUDZIQBGHHVLSK-UHFFFAOYSA-N 1 2 372.270 2.823 20 30 FFEDLO C#CCN(CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)OC(C)(C)C ZINC000822914296 1008815826 /nfs/dbraw/zinc/81/58/26/1008815826.db2.gz KKUPPXYBNGXQQU-UHFFFAOYSA-N 1 2 372.400 2.820 20 30 FFEDLO CC[NH+]1CCN(c2ccc(-c3noc([C@H](N)CCCC#N)n3)cc2F)CC1 ZINC000822951080 1008834936 /nfs/dbraw/zinc/83/49/36/1008834936.db2.gz JTTLSTRSHWHHEE-MRXNPFEDSA-N 1 2 372.448 2.711 20 30 FFEDLO C=CCOCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001090643553 1008873170 /nfs/dbraw/zinc/87/31/70/1008873170.db2.gz LSCWAERXKXJCAY-ZWKOTPCHSA-N 1 2 370.428 2.533 20 30 FFEDLO COc1cc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c(F)cc1C#N ZINC000861262961 1009322629 /nfs/dbraw/zinc/32/26/29/1009322629.db2.gz RLWBJFBUYFIFKQ-LBPRGKRZSA-N 1 2 357.389 2.851 20 30 FFEDLO CC(C)C[C@H](C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)n1cc[nH+]c1 ZINC000887739260 1009550667 /nfs/dbraw/zinc/55/06/67/1009550667.db2.gz PZMVHQLVYPBGKF-MOPGFXCFSA-N 1 2 352.438 2.942 20 30 FFEDLO Cc1cnccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001095393696 1009777804 /nfs/dbraw/zinc/77/78/04/1009777804.db2.gz FARFLLQREQUSLT-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cnccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001095393696 1009777815 /nfs/dbraw/zinc/77/78/15/1009777815.db2.gz FARFLLQREQUSLT-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1CN(c1nc(C)[nH+]c3c1CCCC3)C2 ZINC001093082008 1009797679 /nfs/dbraw/zinc/79/76/79/1009797679.db2.gz HQFKSVBMSABFID-JTSKRJEESA-N 1 2 366.509 2.942 20 30 FFEDLO Cc1nc(N2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)c(C)c(C)[nH+]1 ZINC001093084477 1009804778 /nfs/dbraw/zinc/80/47/78/1009804778.db2.gz IVIHGFJTUCOWHC-UWJYYQICSA-N 1 2 354.498 2.926 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1CN(c1cc(C)[nH+]c(C3CC3)n1)C2 ZINC001093089046 1009867241 /nfs/dbraw/zinc/86/72/41/1009867241.db2.gz ZRGBHARYAVKZKQ-KUDFPVQQSA-N 1 2 370.497 2.729 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C#N)cn3)CC2)cc1 ZINC000889221291 1009869759 /nfs/dbraw/zinc/86/97/59/1009869759.db2.gz ZBOHNKQQJZCYCI-UHFFFAOYSA-N 1 2 365.437 2.702 20 30 FFEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccc(C#N)cn3)CC2)c1 ZINC000889223743 1009870877 /nfs/dbraw/zinc/87/08/77/1009870877.db2.gz KCVDYHZQTSFYBK-HNNXBMFYSA-N 1 2 365.437 2.873 20 30 FFEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)CC1(C#N)CCCCC1)C2 ZINC001181346450 1010086844 /nfs/dbraw/zinc/08/68/44/1010086844.db2.gz RGUUYHVCYUFIKK-UHFFFAOYSA-N 1 2 372.517 2.715 20 30 FFEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)CC1(C#N)CCCCC1)C2 ZINC001181346450 1010086868 /nfs/dbraw/zinc/08/68/68/1010086868.db2.gz RGUUYHVCYUFIKK-UHFFFAOYSA-N 1 2 372.517 2.715 20 30 FFEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c(F)cncc3F)C2)C1 ZINC001206855975 1032459955 /nfs/dbraw/zinc/45/99/55/1032459955.db2.gz RGSFRAJYGDIEOL-SFHVURJKSA-N 1 2 351.397 2.970 20 30 FFEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3c(F)cncc3F)C2)C1 ZINC001206855975 1032459956 /nfs/dbraw/zinc/45/99/56/1032459956.db2.gz RGSFRAJYGDIEOL-SFHVURJKSA-N 1 2 351.397 2.970 20 30 FFEDLO Cc1ccc(CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)cc1C#N ZINC000863456223 1010217097 /nfs/dbraw/zinc/21/70/97/1010217097.db2.gz LLGWNFAPTNQHMK-UHFFFAOYSA-N 1 2 364.449 2.746 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000794582847 1010379231 /nfs/dbraw/zinc/37/92/31/1010379231.db2.gz GKQSPYBXXVNADH-PBHICJAKSA-N 1 2 358.405 2.784 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000794582847 1010379244 /nfs/dbraw/zinc/37/92/44/1010379244.db2.gz GKQSPYBXXVNADH-PBHICJAKSA-N 1 2 358.405 2.784 20 30 FFEDLO N#Cc1cccc(CCC(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC001182338759 1010513721 /nfs/dbraw/zinc/51/37/21/1010513721.db2.gz PKPCBVACEQMNDB-UHFFFAOYSA-N 1 2 363.461 2.714 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C)C1CC1 ZINC001206922393 1032500980 /nfs/dbraw/zinc/50/09/80/1032500980.db2.gz KQUYVHMFRXGRND-ZMYBRWDISA-N 1 2 360.885 2.553 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C)C1CC1 ZINC001206922393 1032500984 /nfs/dbraw/zinc/50/09/84/1032500984.db2.gz KQUYVHMFRXGRND-ZMYBRWDISA-N 1 2 360.885 2.553 20 30 FFEDLO CC(C)(C)OC(=O)C[NH+]1CCC(Nc2c(C#N)nnc3ccccc32)CC1 ZINC000866169598 1010943454 /nfs/dbraw/zinc/94/34/54/1010943454.db2.gz XWWPQEOHWDESGM-UHFFFAOYSA-N 1 2 367.453 2.719 20 30 FFEDLO CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3n[nH]c4ccc(C)cc43)CCC[C@@H]12 ZINC001094458605 1011147297 /nfs/dbraw/zinc/14/72/97/1011147297.db2.gz QFVWRFSEAZNDCR-WIYYLYMNSA-N 1 2 350.466 2.869 20 30 FFEDLO CC#CC[N@H+]1CC[C@@]2(CNC(=O)c3n[nH]c4ccc(C)cc43)CCC[C@@H]12 ZINC001094458605 1011147299 /nfs/dbraw/zinc/14/72/99/1011147299.db2.gz QFVWRFSEAZNDCR-WIYYLYMNSA-N 1 2 350.466 2.869 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171483667 1011338341 /nfs/dbraw/zinc/33/83/41/1011338341.db2.gz XMICYHBXQWLYJA-DNVCBOLYSA-N 1 2 374.435 2.753 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171483667 1011338352 /nfs/dbraw/zinc/33/83/52/1011338352.db2.gz XMICYHBXQWLYJA-DNVCBOLYSA-N 1 2 374.435 2.753 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001274429869 1011435139 /nfs/dbraw/zinc/43/51/39/1011435139.db2.gz HKJYNWIQFORKRZ-RTQGNFRKSA-N 1 2 361.486 2.715 20 30 FFEDLO CCCCCC#CC(=O)N1C[C@@H]2C[N@@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001274439833 1011444109 /nfs/dbraw/zinc/44/41/09/1011444109.db2.gz YPYILVWAYHHGHW-IYBDPMFKSA-N 1 2 360.420 2.824 20 30 FFEDLO CCCCCC#CC(=O)N1C[C@@H]2C[N@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001274439833 1011444117 /nfs/dbraw/zinc/44/41/17/1011444117.db2.gz YPYILVWAYHHGHW-IYBDPMFKSA-N 1 2 360.420 2.824 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@H]2C ZINC001172312836 1011743793 /nfs/dbraw/zinc/74/37/93/1011743793.db2.gz KBWHQTFXKVFIGC-CABCVRRESA-N 1 2 352.438 2.939 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@H]2C ZINC001172312836 1011743806 /nfs/dbraw/zinc/74/38/06/1011743806.db2.gz KBWHQTFXKVFIGC-CABCVRRESA-N 1 2 352.438 2.939 20 30 FFEDLO C[C@@H](CC#N)[NH2+][C@@H]1C[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 ZINC001172704392 1011955359 /nfs/dbraw/zinc/95/53/59/1011955359.db2.gz MUBLNICMTABAMS-MJBXVCDLSA-N 1 2 353.463 2.598 20 30 FFEDLO C[C@H](Cc1ccc(F)cc1Cl)[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001172869849 1012080248 /nfs/dbraw/zinc/08/02/48/1012080248.db2.gz RRTQQTTVASIPFC-CYBMUJFWSA-N 1 2 359.836 2.894 20 30 FFEDLO CC(=O)[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cc(C#N)ccc1Cl)CC2 ZINC001275234516 1012121273 /nfs/dbraw/zinc/12/12/73/1012121273.db2.gz PANWKHYICJWUFS-SUMWQHHRSA-N 1 2 373.884 2.907 20 30 FFEDLO C#CC[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1)c1ccccc1 ZINC001217082016 1032605567 /nfs/dbraw/zinc/60/55/67/1032605567.db2.gz RWSFVGRTEPSJLB-HHXXYDBFSA-N 1 2 368.506 2.672 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(Cl)c3)C2)OCC1=O ZINC001275282816 1012195898 /nfs/dbraw/zinc/19/58/98/1012195898.db2.gz VGXKDHSUEDFUIC-KRWDZBQOSA-N 1 2 355.265 2.983 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3cc(Cl)cc(Cl)c3)C2)OCC1=O ZINC001275282816 1012195909 /nfs/dbraw/zinc/19/59/09/1012195909.db2.gz VGXKDHSUEDFUIC-KRWDZBQOSA-N 1 2 355.265 2.983 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(Cl)cc(Cl)c1)C2 ZINC001275281705 1012202052 /nfs/dbraw/zinc/20/20/52/1012202052.db2.gz GIJZWAQHMCIDSE-SFHVURJKSA-N 1 2 367.276 2.678 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(Cl)cc(Cl)c1)C2 ZINC001275281705 1012202067 /nfs/dbraw/zinc/20/20/67/1012202067.db2.gz GIJZWAQHMCIDSE-SFHVURJKSA-N 1 2 367.276 2.678 20 30 FFEDLO CC(=O)[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(C#N)c1Cl)CC2 ZINC001275307257 1012263479 /nfs/dbraw/zinc/26/34/79/1012263479.db2.gz BGLGMYPCJKVCFS-GUYCJALGSA-N 1 2 373.884 2.907 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1[nH]nc2ccc(Cl)cc21 ZINC001275460415 1012490703 /nfs/dbraw/zinc/49/07/03/1012490703.db2.gz KUCSIONFIOLICS-LJQANCHMSA-N 1 2 356.857 2.807 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1[nH]nc2ccc(Cl)cc21 ZINC001275460415 1012490712 /nfs/dbraw/zinc/49/07/12/1012490712.db2.gz KUCSIONFIOLICS-LJQANCHMSA-N 1 2 356.857 2.807 20 30 FFEDLO C#CCOc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000303942892 1012536572 /nfs/dbraw/zinc/53/65/72/1012536572.db2.gz XPJWAQJWRINITE-UHFFFAOYSA-N 1 2 364.445 2.535 20 30 FFEDLO N#CCC[N@H+](Cc1cccnc1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173429165 1012590578 /nfs/dbraw/zinc/59/05/78/1012590578.db2.gz RPIYIRZHHBIDQX-UHFFFAOYSA-N 1 2 373.460 2.974 20 30 FFEDLO N#CCC[N@@H+](Cc1cccnc1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173429165 1012590593 /nfs/dbraw/zinc/59/05/93/1012590593.db2.gz RPIYIRZHHBIDQX-UHFFFAOYSA-N 1 2 373.460 2.974 20 30 FFEDLO N#CCCCN1C[C@@]2(F)C[N@@H+](CCCc3cccc(F)c3)C[C@@]2(F)C1=O ZINC001275763437 1012975740 /nfs/dbraw/zinc/97/57/40/1012975740.db2.gz GECDWFAZOKMKBM-RBUKOAKNSA-N 1 2 365.399 2.636 20 30 FFEDLO N#CCCCN1C[C@@]2(F)C[N@H+](CCCc3cccc(F)c3)C[C@@]2(F)C1=O ZINC001275763437 1012975758 /nfs/dbraw/zinc/97/57/58/1012975758.db2.gz GECDWFAZOKMKBM-RBUKOAKNSA-N 1 2 365.399 2.636 20 30 FFEDLO Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)c1 ZINC001095266001 1013019607 /nfs/dbraw/zinc/01/96/07/1013019607.db2.gz YXKMNWUPFNBGTI-HKBOAZHASA-N 1 2 363.436 2.916 20 30 FFEDLO Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)c1 ZINC001095266001 1013019624 /nfs/dbraw/zinc/01/96/24/1013019624.db2.gz YXKMNWUPFNBGTI-HKBOAZHASA-N 1 2 363.436 2.916 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(OC)no1)c1ccccc1 ZINC001111443530 1017109750 /nfs/dbraw/zinc/10/97/50/1017109750.db2.gz NOHBHVUNEKNMQO-OWYHZJEWSA-N 1 2 367.449 2.875 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(OC)no1)c1ccccc1 ZINC001111443530 1017109760 /nfs/dbraw/zinc/10/97/60/1017109760.db2.gz NOHBHVUNEKNMQO-OWYHZJEWSA-N 1 2 367.449 2.875 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NCc1ccco1 ZINC001110888775 1017223805 /nfs/dbraw/zinc/22/38/05/1017223805.db2.gz UNCAIKUZJXWMBF-AHCXZYCDSA-N 1 2 373.497 2.608 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NCc1ccco1 ZINC001110888775 1017223814 /nfs/dbraw/zinc/22/38/14/1017223814.db2.gz UNCAIKUZJXWMBF-AHCXZYCDSA-N 1 2 373.497 2.608 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001110890888 1017227224 /nfs/dbraw/zinc/22/72/24/1017227224.db2.gz LWPYQOKZVRFREH-KURKYZTESA-N 1 2 373.541 2.615 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001110890888 1017227235 /nfs/dbraw/zinc/22/72/35/1017227235.db2.gz LWPYQOKZVRFREH-KURKYZTESA-N 1 2 373.541 2.615 20 30 FFEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3C)C2)CC1 ZINC001052097244 1017322646 /nfs/dbraw/zinc/32/26/46/1017322646.db2.gz WQUBMGPMGFLWCA-ILWGZMRPSA-N 1 2 367.537 2.893 20 30 FFEDLO C=CCCC[C@@H]1NC(=O)N([C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1=O ZINC000924561240 1017356906 /nfs/dbraw/zinc/35/69/06/1017356906.db2.gz SKXOXYWBDGAUMC-IRXDYDNUSA-N 1 2 352.438 2.981 20 30 FFEDLO N#Cc1c(F)cccc1N[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001057773852 1017454390 /nfs/dbraw/zinc/45/43/90/1017454390.db2.gz WWXYLTWNHHPKBK-BFHYXJOUSA-N 1 2 353.401 2.627 20 30 FFEDLO N#Cc1c(F)cccc1N[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001057773852 1017454397 /nfs/dbraw/zinc/45/43/97/1017454397.db2.gz WWXYLTWNHHPKBK-BFHYXJOUSA-N 1 2 353.401 2.627 20 30 FFEDLO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(C#N)c1O ZINC000924748607 1017462971 /nfs/dbraw/zinc/46/29/71/1017462971.db2.gz WEICZZVHRAWCLT-SFHVURJKSA-N 1 2 373.478 2.755 20 30 FFEDLO N#Cc1c(F)cccc1N1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001057818835 1017629016 /nfs/dbraw/zinc/62/90/16/1017629016.db2.gz JVVBHCKCBWCTKY-HUUCEWRRSA-N 1 2 367.428 2.557 20 30 FFEDLO N#Cc1c(F)cccc1N1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001057818835 1017629026 /nfs/dbraw/zinc/62/90/26/1017629026.db2.gz JVVBHCKCBWCTKY-HUUCEWRRSA-N 1 2 367.428 2.557 20 30 FFEDLO C=CCOCCNC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000679874638 1017667888 /nfs/dbraw/zinc/66/78/88/1017667888.db2.gz XTPVDGXLDVUCBS-WBVHZDCISA-N 1 2 371.403 2.741 20 30 FFEDLO C=CCOCCNC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000679874638 1017667894 /nfs/dbraw/zinc/66/78/94/1017667894.db2.gz XTPVDGXLDVUCBS-WBVHZDCISA-N 1 2 371.403 2.741 20 30 FFEDLO Cc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001097752767 1017908883 /nfs/dbraw/zinc/90/88/83/1017908883.db2.gz WHWZQKXDMRNREX-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001097752767 1017908894 /nfs/dbraw/zinc/90/88/94/1017908894.db2.gz WHWZQKXDMRNREX-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(=O)c(OC)co2)CC1 ZINC001097790049 1017961200 /nfs/dbraw/zinc/96/12/00/1017961200.db2.gz ZLSYAMISELUECO-NXHRZFHOSA-N 1 2 372.465 2.616 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(=O)c(OC)co2)CC1 ZINC001097790049 1017961209 /nfs/dbraw/zinc/96/12/09/1017961209.db2.gz ZLSYAMISELUECO-NXHRZFHOSA-N 1 2 372.465 2.616 20 30 FFEDLO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000926277234 1018073451 /nfs/dbraw/zinc/07/34/51/1018073451.db2.gz XQCHZRQFNUBGHJ-IAGOWNOFSA-N 1 2 350.422 2.623 20 30 FFEDLO C[C@@H]1C[N@H+](C2CN(Cc3ccc(C#N)cc3Br)C2)C[C@H](C)O1 ZINC001137639669 1032743432 /nfs/dbraw/zinc/74/34/32/1032743432.db2.gz GEIRCIRTBFXOPH-BETUJISGSA-N 1 2 364.287 2.614 20 30 FFEDLO C[C@@H]1C[N@@H+](C2CN(Cc3ccc(C#N)cc3Br)C2)C[C@H](C)O1 ZINC001137639669 1032743444 /nfs/dbraw/zinc/74/34/44/1032743444.db2.gz GEIRCIRTBFXOPH-BETUJISGSA-N 1 2 364.287 2.614 20 30 FFEDLO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1ccncc1)c1cccc(C#N)c1O ZINC000926696826 1018219060 /nfs/dbraw/zinc/21/90/60/1018219060.db2.gz PWGMUFFDHMEISZ-QRFRQXIXSA-N 1 2 364.449 2.919 20 30 FFEDLO Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)NCc3ccc(C)c(C#N)c3)C2)o1 ZINC000926860037 1018271778 /nfs/dbraw/zinc/27/17/78/1018271778.db2.gz FLZBMTCLVHYLNS-GOSISDBHSA-N 1 2 367.453 2.579 20 30 FFEDLO Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)NCc3ccc(C)c(C#N)c3)C2)o1 ZINC000926860037 1018271791 /nfs/dbraw/zinc/27/17/91/1018271791.db2.gz FLZBMTCLVHYLNS-GOSISDBHSA-N 1 2 367.453 2.579 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(C[NH+]([C@H](C)c3ccccc3C)C2)C1 ZINC001053436780 1018302741 /nfs/dbraw/zinc/30/27/41/1018302741.db2.gz CZTYMVUIWDEFCH-RLLQIKCJSA-N 1 2 370.493 2.560 20 30 FFEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1[C@@H](c3ccccc3)C1(C)C)O2 ZINC001053599009 1018380078 /nfs/dbraw/zinc/38/00/78/1018380078.db2.gz KGRCXXBCBWBELA-QRVBRYPASA-N 1 2 354.494 2.962 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC2(C[NH+](Cc3ccccc3)C2)O1 ZINC001053675735 1018412682 /nfs/dbraw/zinc/41/26/82/1018412682.db2.gz RLQUTXSXRXDMSS-AABGKKOBSA-N 1 2 370.493 2.517 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001047068567 1018907668 /nfs/dbraw/zinc/90/76/68/1018907668.db2.gz PYZKNOSBUHXDGF-XPYUAMARSA-N 1 2 370.497 2.950 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@H]2C)cc1 ZINC001042407077 1019026618 /nfs/dbraw/zinc/02/66/18/1019026618.db2.gz GHXCISKUCWDWRV-AUUYWEPGSA-N 1 2 360.461 2.898 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001042572099 1019074175 /nfs/dbraw/zinc/07/41/75/1019074175.db2.gz HUCVJCCYIUEJQA-PILAGYSTSA-N 1 2 370.497 2.585 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001067615830 1019093310 /nfs/dbraw/zinc/09/33/10/1019093310.db2.gz OCXLRZRNIVTKQX-AOIWGVFYSA-N 1 2 358.486 2.584 20 30 FFEDLO CCN(C(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)nc2)CC1)C1CCCCC1 ZINC000801553082 1019105550 /nfs/dbraw/zinc/10/55/50/1019105550.db2.gz HVVXHXMGWVBVCG-QGZVFWFLSA-N 1 2 369.513 2.645 20 30 FFEDLO CCC(=CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@@H]21)CC ZINC001217643787 1032818721 /nfs/dbraw/zinc/81/87/21/1032818721.db2.gz QBOHGRKCRJRHSX-VQTJNVASSA-N 1 2 353.466 2.716 20 30 FFEDLO CCC(=CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@@H]21)CC ZINC001217643787 1032818735 /nfs/dbraw/zinc/81/87/35/1032818735.db2.gz QBOHGRKCRJRHSX-VQTJNVASSA-N 1 2 353.466 2.716 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3[nH]cnc31)C2 ZINC001098085219 1019373066 /nfs/dbraw/zinc/37/30/66/1019373066.db2.gz MRURZGVMKKYONL-AHRSYUTCSA-N 1 2 371.444 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3[nH]cnc31)C2 ZINC001098085219 1019373082 /nfs/dbraw/zinc/37/30/82/1019373082.db2.gz MRURZGVMKKYONL-AHRSYUTCSA-N 1 2 371.444 2.970 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CC[C@H](C4CC4)O3)CC2)cc1 ZINC000929363437 1019388193 /nfs/dbraw/zinc/38/81/93/1019388193.db2.gz QTEIVELDPOJPLR-WOJBJXKFSA-N 1 2 353.466 2.550 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)c(C)o1 ZINC001098092117 1019436517 /nfs/dbraw/zinc/43/65/17/1019436517.db2.gz QTPZUVBEEHGDTG-NXHRZFHOSA-N 1 2 368.412 2.838 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)c(C)o1 ZINC001098092117 1019436523 /nfs/dbraw/zinc/43/65/23/1019436523.db2.gz QTPZUVBEEHGDTG-NXHRZFHOSA-N 1 2 368.412 2.838 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c(C)o1 ZINC001098092389 1019437871 /nfs/dbraw/zinc/43/78/71/1019437871.db2.gz VZOPZQPJPOBLRK-KURKYZTESA-N 1 2 350.422 2.698 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c(C)o1 ZINC001098092389 1019437877 /nfs/dbraw/zinc/43/78/77/1019437877.db2.gz VZOPZQPJPOBLRK-KURKYZTESA-N 1 2 350.422 2.698 20 30 FFEDLO COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)o1 ZINC001098095287 1019464203 /nfs/dbraw/zinc/46/42/03/1019464203.db2.gz JALNFWWXOLKBOK-KURKYZTESA-N 1 2 350.418 2.675 20 30 FFEDLO COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)o1 ZINC001098095287 1019464207 /nfs/dbraw/zinc/46/42/07/1019464207.db2.gz JALNFWWXOLKBOK-KURKYZTESA-N 1 2 350.418 2.675 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(F)cc(F)c3O)CC2)cc1 ZINC000929584806 1019524933 /nfs/dbraw/zinc/52/49/33/1019524933.db2.gz NZSIKMCXBCQNAY-UHFFFAOYSA-N 1 2 371.387 2.890 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(F)cc(F)c3O)CC2)cc1 ZINC000929584806 1019524944 /nfs/dbraw/zinc/52/49/44/1019524944.db2.gz NZSIKMCXBCQNAY-UHFFFAOYSA-N 1 2 371.387 2.890 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncccc2F)C3)c(F)c1 ZINC001096238774 1019540976 /nfs/dbraw/zinc/54/09/76/1019540976.db2.gz KDZDHQZGIXIDJZ-JLSDUUJJSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncccc2F)C3)c(F)c1 ZINC001096238774 1019540990 /nfs/dbraw/zinc/54/09/90/1019540990.db2.gz KDZDHQZGIXIDJZ-JLSDUUJJSA-N 1 2 368.387 2.767 20 30 FFEDLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(Cl)cc2)CCOC1 ZINC001096244625 1019578618 /nfs/dbraw/zinc/57/86/18/1019578618.db2.gz RSISFKLYJPVYOY-XODKDNOYSA-N 1 2 372.896 2.840 20 30 FFEDLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(Cl)cc2)CCOC1 ZINC001096244625 1019578630 /nfs/dbraw/zinc/57/86/30/1019578630.db2.gz RSISFKLYJPVYOY-XODKDNOYSA-N 1 2 372.896 2.840 20 30 FFEDLO C#CC[N@@H+](CC(=O)N(C)Cc1ccc(OC)c(F)c1)Cc1ccccc1 ZINC000796639220 1019614949 /nfs/dbraw/zinc/61/49/49/1019614949.db2.gz KFXCVPINSNRQPA-UHFFFAOYSA-N 1 2 354.425 2.928 20 30 FFEDLO C#CC[N@H+](CC(=O)N(C)Cc1ccc(OC)c(F)c1)Cc1ccccc1 ZINC000796639220 1019614956 /nfs/dbraw/zinc/61/49/56/1019614956.db2.gz KFXCVPINSNRQPA-UHFFFAOYSA-N 1 2 354.425 2.928 20 30 FFEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)c2C1 ZINC001069884144 1019650582 /nfs/dbraw/zinc/65/05/82/1019650582.db2.gz TWDSDUQYIIXMCS-RBUKOAKNSA-N 1 2 368.456 2.834 20 30 FFEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)c2C1 ZINC001069884144 1019650587 /nfs/dbraw/zinc/65/05/87/1019650587.db2.gz TWDSDUQYIIXMCS-RBUKOAKNSA-N 1 2 368.456 2.834 20 30 FFEDLO Cc1cnoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096271661 1019762492 /nfs/dbraw/zinc/76/24/92/1019762492.db2.gz BUMQLTOXXKUXRW-PVAVHDDUSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1cnoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096271661 1019762508 /nfs/dbraw/zinc/76/25/08/1019762508.db2.gz BUMQLTOXXKUXRW-PVAVHDDUSA-N 1 2 354.385 2.529 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)C(C)C)CC1 ZINC001110982100 1019879261 /nfs/dbraw/zinc/87/92/61/1019879261.db2.gz IMILWBOGTBSTQC-OWYHZJEWSA-N 1 2 361.530 2.615 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)C(C)C)CC1 ZINC001110982100 1019879279 /nfs/dbraw/zinc/87/92/79/1019879279.db2.gz IMILWBOGTBSTQC-OWYHZJEWSA-N 1 2 361.530 2.615 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+](CN3C[C@@H]([C@@H]4CCCO4)CC3=O)CC2)cc1 ZINC000902210340 1019969671 /nfs/dbraw/zinc/96/96/71/1019969671.db2.gz GZLJJSQPQLBIMC-PMACEKPBSA-N 1 2 351.450 2.632 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C[C@@H]([C@@H]4CCCO4)CC3=O)CC2)cc1 ZINC000902210340 1019969678 /nfs/dbraw/zinc/96/96/78/1019969678.db2.gz GZLJJSQPQLBIMC-PMACEKPBSA-N 1 2 351.450 2.632 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC(C)(C)C)CCC1 ZINC001110986997 1019997553 /nfs/dbraw/zinc/99/75/53/1019997553.db2.gz FDKZQACSVITHGN-ZACQAIPSSA-N 1 2 361.530 2.617 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC(C)(C)C)CCC1 ZINC001110986997 1019997561 /nfs/dbraw/zinc/99/75/61/1019997561.db2.gz FDKZQACSVITHGN-ZACQAIPSSA-N 1 2 361.530 2.617 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CCCC2)CC1 ZINC001110987723 1020013538 /nfs/dbraw/zinc/01/35/38/1020013538.db2.gz BTWDWWAJZYOXSD-KURKYZTESA-N 1 2 359.514 2.513 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CCCC2)CC1 ZINC001110987723 1020013551 /nfs/dbraw/zinc/01/35/51/1020013551.db2.gz BTWDWWAJZYOXSD-KURKYZTESA-N 1 2 359.514 2.513 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001073206864 1020424925 /nfs/dbraw/zinc/42/49/25/1020424925.db2.gz YMPFFSLGMXEVRQ-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001073206864 1020424926 /nfs/dbraw/zinc/42/49/26/1020424926.db2.gz YMPFFSLGMXEVRQ-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO Cc1cc(NC(=O)NCc2nc(C[NH+](C)C)cs2)c(C#N)cc1N(C)C ZINC000931443784 1020468314 /nfs/dbraw/zinc/46/83/14/1020468314.db2.gz DFRPRKOEJVIEJF-UHFFFAOYSA-N 1 2 372.498 2.773 20 30 FFEDLO C=CCCCCC[N@H+]1C[C@H]2OCCN(C(=O)C(F)C(F)(F)F)[C@H]2C1 ZINC001217954062 1032917697 /nfs/dbraw/zinc/91/76/97/1032917697.db2.gz LNUVNOYMQABQBU-MJBXVCDLSA-N 1 2 352.372 2.545 20 30 FFEDLO C=CCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)C(F)C(F)(F)F)[C@H]2C1 ZINC001217954062 1032917710 /nfs/dbraw/zinc/91/77/10/1032917710.db2.gz LNUVNOYMQABQBU-MJBXVCDLSA-N 1 2 352.372 2.545 20 30 FFEDLO C/C(=C\C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)C[NH+]1CCOCC1 ZINC000900905409 1020714036 /nfs/dbraw/zinc/71/40/36/1020714036.db2.gz SXQRICLMCXYATD-RMTOKUDYSA-N 1 2 353.466 2.563 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(C(C)(C)C)on2)C1 ZINC001046630873 1020730153 /nfs/dbraw/zinc/73/01/53/1020730153.db2.gz ASYLDNGJHVZELZ-GUXCAODWSA-N 1 2 361.486 2.644 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(C(C)(C)C)on2)C1 ZINC001046630873 1020730160 /nfs/dbraw/zinc/73/01/60/1020730160.db2.gz ASYLDNGJHVZELZ-GUXCAODWSA-N 1 2 361.486 2.644 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc3ccccc3o2)cn1 ZINC001098245583 1020759993 /nfs/dbraw/zinc/75/99/93/1020759993.db2.gz RNSXUGNFZROTTM-QRQLOZEOSA-N 1 2 372.428 2.739 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc3ccccc3o2)cn1 ZINC001098245583 1020759999 /nfs/dbraw/zinc/75/99/99/1020759999.db2.gz RNSXUGNFZROTTM-QRQLOZEOSA-N 1 2 372.428 2.739 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3ccccc3)o1)C2 ZINC001111050268 1020964069 /nfs/dbraw/zinc/96/40/69/1020964069.db2.gz KCVNJFIQYLSTMS-QRVBRYPASA-N 1 2 364.445 2.932 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3ccccc3)o1)C2 ZINC001111050268 1020964073 /nfs/dbraw/zinc/96/40/73/1020964073.db2.gz KCVNJFIQYLSTMS-QRVBRYPASA-N 1 2 364.445 2.932 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccccn2)C1 ZINC001098696215 1021046442 /nfs/dbraw/zinc/04/64/42/1021046442.db2.gz LNXVVTQWGURGGI-BBRMVZONSA-N 1 2 350.260 2.575 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccccn2)C1 ZINC001098696215 1021046445 /nfs/dbraw/zinc/04/64/45/1021046445.db2.gz LNXVVTQWGURGGI-BBRMVZONSA-N 1 2 350.260 2.575 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933650557 1021058767 /nfs/dbraw/zinc/05/87/67/1021058767.db2.gz ROKROGMTQRXRND-OAHLLOKOSA-N 1 2 358.438 2.668 20 30 FFEDLO O=C(C[NH+]1CCC2(CC1)CC(=O)C=CO2)Nc1cccc(C(F)(F)F)c1 ZINC000933653671 1021060036 /nfs/dbraw/zinc/06/00/36/1021060036.db2.gz VQZPPBTUKBHDMU-UHFFFAOYSA-N 1 2 368.355 2.982 20 30 FFEDLO C#CCOCC[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC001116396807 1021196010 /nfs/dbraw/zinc/19/60/10/1021196010.db2.gz QFEBRNLWZVDZRC-MRXNPFEDSA-N 1 2 371.462 2.600 20 30 FFEDLO C#CCOCC[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC001116396807 1021196017 /nfs/dbraw/zinc/19/60/17/1021196017.db2.gz QFEBRNLWZVDZRC-MRXNPFEDSA-N 1 2 371.462 2.600 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)nn1 ZINC000934661581 1021329684 /nfs/dbraw/zinc/32/96/84/1021329684.db2.gz ROWNELSCEKRLEU-DNVCBOLYSA-N 1 2 361.490 2.733 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)nn1 ZINC000934661581 1021329701 /nfs/dbraw/zinc/32/97/01/1021329701.db2.gz ROWNELSCEKRLEU-DNVCBOLYSA-N 1 2 361.490 2.733 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)N[C@@H](C)c2ccccc2C)cc1 ZINC000113249022 1021892104 /nfs/dbraw/zinc/89/21/04/1021892104.db2.gz AAWJDQYSIRQTPZ-LSDHHAIUSA-N 1 2 355.438 2.906 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3cscn3)C2)C1 ZINC001099304951 1022262192 /nfs/dbraw/zinc/26/21/92/1022262192.db2.gz IJQIDRANVIYDGC-CHWSQXEVSA-N 1 2 359.417 2.978 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@H]2CCCN(c3cccc(F)c3)C2=O)cc1 ZINC000115522920 1022337315 /nfs/dbraw/zinc/33/73/15/1022337315.db2.gz IPOHUDJBQYBKLN-KRWDZBQOSA-N 1 2 357.385 2.667 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCc1c(F)cccc1F ZINC001038265849 1022642140 /nfs/dbraw/zinc/64/21/40/1022642140.db2.gz HSRAYFPOUYERLZ-GMBSWORKSA-N 1 2 364.436 2.679 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCc1c(F)cccc1F ZINC001038265849 1022642149 /nfs/dbraw/zinc/64/21/49/1022642149.db2.gz HSRAYFPOUYERLZ-GMBSWORKSA-N 1 2 364.436 2.679 20 30 FFEDLO C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)Nc1cccc(F)c1C#N ZINC001099710832 1022781347 /nfs/dbraw/zinc/78/13/47/1022781347.db2.gz INYPVXWVPNUGIJ-MGPQQGTHSA-N 1 2 355.417 2.541 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cncc(C)c1 ZINC001039923607 1022787350 /nfs/dbraw/zinc/78/73/50/1022787350.db2.gz ZHJSVHJKIFHFGI-WCIQWLHISA-N 1 2 355.482 2.546 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cncc(C)c1 ZINC001039923607 1022787366 /nfs/dbraw/zinc/78/73/66/1022787366.db2.gz ZHJSVHJKIFHFGI-WCIQWLHISA-N 1 2 355.482 2.546 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001490927471 1022978687 /nfs/dbraw/zinc/97/86/87/1022978687.db2.gz CMLXWLXAWDXUIV-ZWOKBUDYSA-N 1 2 358.486 2.688 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCO[C@@H](CC(F)(F)F)C1 ZINC001122442239 1023271855 /nfs/dbraw/zinc/27/18/55/1023271855.db2.gz ZZDYQWNHYBRERT-UONOGXRCSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCO[C@@H](CC(F)(F)F)C1 ZINC001122442239 1023271860 /nfs/dbraw/zinc/27/18/60/1023271860.db2.gz ZZDYQWNHYBRERT-UONOGXRCSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)C[C@H]1CC=CCC1 ZINC001122478934 1023294745 /nfs/dbraw/zinc/29/47/45/1023294745.db2.gz NENMKRSQZMIPCC-SFHVURJKSA-N 1 2 373.545 2.851 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC(F)(F)CC[C@@H]1C ZINC001122489947 1023300651 /nfs/dbraw/zinc/30/06/51/1023300651.db2.gz CGRXNLBKAYYTPV-ZDUSSCGKSA-N 1 2 350.417 2.803 20 30 FFEDLO CCOCCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H]1C ZINC001122608799 1023366317 /nfs/dbraw/zinc/36/63/17/1023366317.db2.gz WWFYRYRLHBZEGV-QGZVFWFLSA-N 1 2 374.533 2.786 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](C(C)(C)O)C1 ZINC001122622426 1023374703 /nfs/dbraw/zinc/37/47/03/1023374703.db2.gz BXXHOXIHZDDLGY-SJORKVTESA-N 1 2 361.534 2.998 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](C(C)(C)O)C1 ZINC001122622426 1023374709 /nfs/dbraw/zinc/37/47/09/1023374709.db2.gz BXXHOXIHZDDLGY-SJORKVTESA-N 1 2 361.534 2.998 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc3[nH]c(CC)nc31)C2 ZINC001095805762 1023404540 /nfs/dbraw/zinc/40/45/40/1023404540.db2.gz ZOIOGPGUKRVPPZ-XBFCOCLRSA-N 1 2 359.861 2.608 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc3[nH]c(CC)nc31)C2 ZINC001095805762 1023404544 /nfs/dbraw/zinc/40/45/44/1023404544.db2.gz ZOIOGPGUKRVPPZ-XBFCOCLRSA-N 1 2 359.861 2.608 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc([C@@]3(C)C[C@H](O)C[N@@H+]3C)n2CC(C)C)C1 ZINC001122738776 1023440524 /nfs/dbraw/zinc/44/05/24/1023440524.db2.gz GGSAQQXXTDURNC-FUHIMQAGSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc([C@@]3(C)C[C@H](O)C[N@H+]3C)n2CC(C)C)C1 ZINC001122738776 1023440526 /nfs/dbraw/zinc/44/05/26/1023440526.db2.gz GGSAQQXXTDURNC-FUHIMQAGSA-N 1 2 361.534 2.638 20 30 FFEDLO N#CCn1c(=O)c2ccccc2nc1C[NH+]1CCC(c2ccccn2)CC1 ZINC000754352085 1023459213 /nfs/dbraw/zinc/45/92/13/1023459213.db2.gz NBOAOKXVUMUKCI-UHFFFAOYSA-N 1 2 359.433 2.695 20 30 FFEDLO Cn1cc(C[NH+]2CCN(c3cc(C(F)(F)F)c(F)cc3C#N)CC2)cn1 ZINC001120896412 1023515837 /nfs/dbraw/zinc/51/58/37/1023515837.db2.gz MBGAGKPXVQHKFD-UHFFFAOYSA-N 1 2 367.350 2.772 20 30 FFEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)CC2)cc1 ZINC000949375773 1023520145 /nfs/dbraw/zinc/52/01/45/1023520145.db2.gz VMFVQPJBMVBQLE-ICSRJNTNSA-N 1 2 353.466 2.669 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3CC)[C@H]2C1 ZINC001222752351 1033142644 /nfs/dbraw/zinc/14/26/44/1033142644.db2.gz YTGVSVCVTINASL-MJGOQNOKSA-N 1 2 371.529 2.798 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3CC)[C@H]2C1 ZINC001222752351 1033142651 /nfs/dbraw/zinc/14/26/51/1033142651.db2.gz YTGVSVCVTINASL-MJGOQNOKSA-N 1 2 371.529 2.798 20 30 FFEDLO C(=NNc1cc[nH+]c2ccccc12)c1c(-n2ccnc2)nc2ccccn12 ZINC000755702445 1023627314 /nfs/dbraw/zinc/62/73/14/1023627314.db2.gz YRSUBTJHDIZLBG-UHFFFAOYSA-N 1 2 353.389 2.936 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCCO1 ZINC001123159783 1023662254 /nfs/dbraw/zinc/66/22/54/1023662254.db2.gz ZWQJBPLTWZCCKI-HLIPFELVSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCCO1 ZINC001123159783 1023662258 /nfs/dbraw/zinc/66/22/58/1023662258.db2.gz ZWQJBPLTWZCCKI-HLIPFELVSA-N 1 2 372.517 2.744 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@@H](C)[C@H](F)C1 ZINC001121493100 1023807920 /nfs/dbraw/zinc/80/79/20/1023807920.db2.gz UKGRRTQUCXUBDI-VQHPVUNQSA-N 1 2 363.481 2.574 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@@H](C)[C@H](F)C1 ZINC001121493100 1023807923 /nfs/dbraw/zinc/80/79/23/1023807923.db2.gz UKGRRTQUCXUBDI-VQHPVUNQSA-N 1 2 363.481 2.574 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001121495566 1023810086 /nfs/dbraw/zinc/81/00/86/1023810086.db2.gz LPCDVRZWWLQBOC-LSDHHAIUSA-N 1 2 369.460 2.870 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001121495566 1023810087 /nfs/dbraw/zinc/81/00/87/1023810087.db2.gz LPCDVRZWWLQBOC-LSDHHAIUSA-N 1 2 369.460 2.870 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC(C2CCCCC2)CC1 ZINC001121509736 1023818204 /nfs/dbraw/zinc/81/82/04/1023818204.db2.gz IFSTWQCMYUFGIR-MOPGFXCFSA-N 1 2 373.545 2.998 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC(C2CCCCC2)CC1 ZINC001121509736 1023818211 /nfs/dbraw/zinc/81/82/11/1023818211.db2.gz IFSTWQCMYUFGIR-MOPGFXCFSA-N 1 2 373.545 2.998 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2[C@H](C)CCC)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121606685 1023877652 /nfs/dbraw/zinc/87/76/52/1023877652.db2.gz BQWRBQOMPBKTRL-WOCWXWTJSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2[C@H](C)CCC)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121606685 1023877660 /nfs/dbraw/zinc/87/76/60/1023877660.db2.gz BQWRBQOMPBKTRL-WOCWXWTJSA-N 1 2 361.534 2.781 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1 ZINC000078695678 1023926274 /nfs/dbraw/zinc/92/62/74/1023926274.db2.gz QIKFUMJOOIXYRA-KBPBESRZSA-N 1 2 353.422 2.698 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3CC(C)C)C[C@@]2(C)C1 ZINC001101253388 1024205597 /nfs/dbraw/zinc/20/55/97/1024205597.db2.gz MVSXEMSWBUKXAC-XLIONFOSSA-N 1 2 359.518 2.571 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](Cc3ncnn3CC(C)C)C[C@@]2(C)C1 ZINC001101253388 1024205611 /nfs/dbraw/zinc/20/56/11/1024205611.db2.gz MVSXEMSWBUKXAC-XLIONFOSSA-N 1 2 359.518 2.571 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](Cc3nnc4n3CCCCC4)C[C@@]2(C)C1 ZINC001101254510 1024210906 /nfs/dbraw/zinc/21/09/06/1024210906.db2.gz VJMLJMLXYAMLHY-UTKZUKDTSA-N 1 2 371.529 2.641 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc4n3CCCCC4)C[C@@]2(C)C1 ZINC001101254510 1024210919 /nfs/dbraw/zinc/21/09/19/1024210919.db2.gz VJMLJMLXYAMLHY-UTKZUKDTSA-N 1 2 371.529 2.641 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001101326348 1024455922 /nfs/dbraw/zinc/45/59/22/1024455922.db2.gz RNDHRKVPLJMHEA-FVJLSDCUSA-N 1 2 371.529 2.792 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001101326348 1024455932 /nfs/dbraw/zinc/45/59/32/1024455932.db2.gz RNDHRKVPLJMHEA-FVJLSDCUSA-N 1 2 371.529 2.792 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3CCC)C[C@@]2(C)C1 ZINC001101336823 1024483762 /nfs/dbraw/zinc/48/37/62/1024483762.db2.gz QUOFUOWFPYWACL-QKLQHJQFSA-N 1 2 359.518 2.571 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3CCC)C[C@@]2(C)C1 ZINC001101336823 1024483772 /nfs/dbraw/zinc/48/37/72/1024483772.db2.gz QUOFUOWFPYWACL-QKLQHJQFSA-N 1 2 359.518 2.571 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001101336861 1024484469 /nfs/dbraw/zinc/48/44/69/1024484469.db2.gz SMJHMFWMLMYAEL-KHYOSLBOSA-N 1 2 364.921 2.956 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001101336861 1024484480 /nfs/dbraw/zinc/48/44/80/1024484480.db2.gz SMJHMFWMLMYAEL-KHYOSLBOSA-N 1 2 364.921 2.956 20 30 FFEDLO CCC[C@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000759422007 1024604003 /nfs/dbraw/zinc/60/40/03/1024604003.db2.gz QMERZGWXONKUHF-HOTGVXAUSA-N 1 2 350.422 2.725 20 30 FFEDLO CCC[C@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000759422007 1024604009 /nfs/dbraw/zinc/60/40/09/1024604009.db2.gz QMERZGWXONKUHF-HOTGVXAUSA-N 1 2 350.422 2.725 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCc3c2cccc3F)CC1 ZINC000951700296 1024661070 /nfs/dbraw/zinc/66/10/70/1024661070.db2.gz XSPFAAYFYLJSOG-IHPCNDPISA-N 1 2 358.457 2.938 20 30 FFEDLO COC(=O)c1cccc(N[NH+]=Cc2c(Cl)nc(N)nc2N2CCCC2)c1 ZINC000779826231 1024902176 /nfs/dbraw/zinc/90/21/76/1024902176.db2.gz IPXLDQLZXXOOMX-UHFFFAOYSA-N 1 2 374.832 2.545 20 30 FFEDLO CC(C)(C)OC(=O)N1CCN(Cc2cccc(-n3cc[nH+]c3)c2)[C@H](C#N)C1 ZINC001141238243 1025654108 /nfs/dbraw/zinc/65/41/08/1025654108.db2.gz IXGSLIFDUXEQAD-GOSISDBHSA-N 1 2 367.453 2.817 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ncc(Cl)n2C)C[C@H]1C ZINC001102261193 1025657053 /nfs/dbraw/zinc/65/70/53/1025657053.db2.gz QWKATNJSJGSMFD-RBSFLKMASA-N 1 2 352.910 2.860 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ncc(Cl)n2C)C[C@H]1C ZINC001102261193 1025657054 /nfs/dbraw/zinc/65/70/54/1025657054.db2.gz QWKATNJSJGSMFD-RBSFLKMASA-N 1 2 352.910 2.860 20 30 FFEDLO C#C[C@H](NC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC000838596803 1026429852 /nfs/dbraw/zinc/42/98/52/1026429852.db2.gz WMWXOAOLHONNAO-QUCCMNQESA-N 1 2 357.498 2.577 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ncccn2)c(OC)c1 ZINC000639838295 1026492089 /nfs/dbraw/zinc/49/20/89/1026492089.db2.gz DTSFGSLVOFFWDY-ZWKOTPCHSA-N 1 2 369.465 2.791 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2ncccn2)c(OC)c1 ZINC000639838295 1026492093 /nfs/dbraw/zinc/49/20/93/1026492093.db2.gz DTSFGSLVOFFWDY-ZWKOTPCHSA-N 1 2 369.465 2.791 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CCCO1 ZINC000839139353 1026603148 /nfs/dbraw/zinc/60/31/48/1026603148.db2.gz CLDWNJKGDKKVGS-INIZCTEOSA-N 1 2 363.433 2.813 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CCCO1 ZINC000839139353 1026603154 /nfs/dbraw/zinc/60/31/54/1026603154.db2.gz CLDWNJKGDKKVGS-INIZCTEOSA-N 1 2 363.433 2.813 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c1 ZINC001141654556 1026749412 /nfs/dbraw/zinc/74/94/12/1026749412.db2.gz CHBZRSNBELJHEC-NEPJUHHUSA-N 1 2 363.177 2.923 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c1 ZINC001141654556 1026749421 /nfs/dbraw/zinc/74/94/21/1026749421.db2.gz CHBZRSNBELJHEC-NEPJUHHUSA-N 1 2 363.177 2.923 20 30 FFEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000839602827 1026754374 /nfs/dbraw/zinc/75/43/74/1026754374.db2.gz ZEWQTPKKYBJJRX-QGZVFWFLSA-N 1 2 364.445 2.613 20 30 FFEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000839602827 1026754384 /nfs/dbraw/zinc/75/43/84/1026754384.db2.gz ZEWQTPKKYBJJRX-QGZVFWFLSA-N 1 2 364.445 2.613 20 30 FFEDLO CC(C)C#CC(=O)NCC[C@@H]1C[N@H+](Cc2noc(C3CCC3)n2)C[C@H]1C ZINC001102957595 1026832087 /nfs/dbraw/zinc/83/20/87/1026832087.db2.gz SMOKAAJLXUKWOD-NVXWUHKLSA-N 1 2 358.486 2.571 20 30 FFEDLO CC(C)C#CC(=O)NCC[C@@H]1C[N@@H+](Cc2noc(C3CCC3)n2)C[C@H]1C ZINC001102957595 1026832093 /nfs/dbraw/zinc/83/20/93/1026832093.db2.gz SMOKAAJLXUKWOD-NVXWUHKLSA-N 1 2 358.486 2.571 20 30 FFEDLO CC(C)c1nc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)C#CC(C)(C)C)C2)no1 ZINC001102964626 1026837421 /nfs/dbraw/zinc/83/74/21/1026837421.db2.gz PIFFZQFGQXCCRG-HZPDHXFCSA-N 1 2 360.502 2.817 20 30 FFEDLO CC(C)c1nc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)C#CC(C)(C)C)C2)no1 ZINC001102964626 1026837430 /nfs/dbraw/zinc/83/74/30/1026837430.db2.gz PIFFZQFGQXCCRG-HZPDHXFCSA-N 1 2 360.502 2.817 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nn1 ZINC000640775482 1026934623 /nfs/dbraw/zinc/93/46/23/1026934623.db2.gz LHXDRVWTGDJMTO-GFCCVEGCSA-N 1 2 365.359 2.610 20 30 FFEDLO N#Cc1ccnc(N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1F ZINC001158587018 1027069375 /nfs/dbraw/zinc/06/93/75/1027069375.db2.gz UMVVLOAOOPFLPT-RDJZCZTQSA-N 1 2 368.412 2.963 20 30 FFEDLO COCC1CCC(N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CC1 ZINC000840705532 1027220361 /nfs/dbraw/zinc/22/03/61/1027220361.db2.gz XLLDQIDIIVCMQJ-UHFFFAOYSA-N 1 2 368.481 2.851 20 30 FFEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)cc1 ZINC000092937655 1027518365 /nfs/dbraw/zinc/51/83/65/1027518365.db2.gz FWRWDGOOJFDUSB-MRXNPFEDSA-N 1 2 365.433 2.641 20 30 FFEDLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C3CC3)c(C#N)c2)C1 ZINC001153381088 1027859250 /nfs/dbraw/zinc/85/92/50/1027859250.db2.gz JQSBUWDMFISOQD-OAHLLOKOSA-N 1 2 355.438 2.649 20 30 FFEDLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C3CC3)c(C#N)c2)C1 ZINC001153381088 1027859268 /nfs/dbraw/zinc/85/92/68/1027859268.db2.gz JQSBUWDMFISOQD-OAHLLOKOSA-N 1 2 355.438 2.649 20 30 FFEDLO C=CCCOCC(=O)NCC[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001103767815 1028172575 /nfs/dbraw/zinc/17/25/75/1028172575.db2.gz GOXOWGNCKYZAFH-ZIAGYGMSSA-N 1 2 371.934 2.963 20 30 FFEDLO C=CCCOCC(=O)NCC[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001103767815 1028172580 /nfs/dbraw/zinc/17/25/80/1028172580.db2.gz GOXOWGNCKYZAFH-ZIAGYGMSSA-N 1 2 371.934 2.963 20 30 FFEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001154404302 1028282977 /nfs/dbraw/zinc/28/29/77/1028282977.db2.gz ZBCYUVLGFDUFBT-MWHZBGGUSA-N 1 2 373.472 2.839 20 30 FFEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001154404302 1028282995 /nfs/dbraw/zinc/28/29/95/1028282995.db2.gz ZBCYUVLGFDUFBT-MWHZBGGUSA-N 1 2 373.472 2.839 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12CN(C(=O)c1cccc3[nH+]ccn31)CCO2 ZINC001154521214 1028335666 /nfs/dbraw/zinc/33/56/66/1028335666.db2.gz AASJFKANLWIKCX-OXQOHEQNSA-N 1 2 355.438 2.548 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(F)(F)C(F)F)C1 ZINC001103965289 1028426229 /nfs/dbraw/zinc/42/62/29/1028426229.db2.gz MSCOXVOEYYPLLL-MGPQQGTHSA-N 1 2 368.415 2.942 20 30 FFEDLO C#CCCCNc1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001155014516 1028547381 /nfs/dbraw/zinc/54/73/81/1028547381.db2.gz XBPAVLNRROMGOZ-UHFFFAOYSA-N 1 2 362.477 2.865 20 30 FFEDLO N#CCc1ccc[nH+]c1NC[C@H]1OCCc2cn(Cc3ccccn3)nc21 ZINC001163533133 1028960954 /nfs/dbraw/zinc/96/09/54/1028960954.db2.gz GBKAOZDSURFHMD-GOSISDBHSA-N 1 2 360.421 2.513 20 30 FFEDLO Cc1cc(N2CCN(c3cc(CC#N)cc[nH+]3)CC2)n(-c2ccccc2)n1 ZINC001155995019 1029005974 /nfs/dbraw/zinc/00/59/74/1029005974.db2.gz AEFCCISEWYJHJV-UHFFFAOYSA-N 1 2 358.449 2.968 20 30 FFEDLO CO[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2)C1CC1 ZINC001111730992 1029259267 /nfs/dbraw/zinc/25/92/67/1029259267.db2.gz JBZSMGIDGQILQE-CUWPLCDZSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2)C1CC1 ZINC001111730992 1029259283 /nfs/dbraw/zinc/25/92/83/1029259283.db2.gz JBZSMGIDGQILQE-CUWPLCDZSA-N 1 2 371.456 2.593 20 30 FFEDLO O=C(N[C@]12CCC[C@H]1C[N@H+](CCC(F)(F)F)C2)C(F)C(F)(F)F ZINC001111756074 1029349955 /nfs/dbraw/zinc/34/99/55/1029349955.db2.gz CNXLDEQNHULYQU-NGZCFLSTSA-N 1 2 350.278 2.810 20 30 FFEDLO O=C(N[C@]12CCC[C@H]1C[N@@H+](CCC(F)(F)F)C2)C(F)C(F)(F)F ZINC001111756074 1029349969 /nfs/dbraw/zinc/34/99/69/1029349969.db2.gz CNXLDEQNHULYQU-NGZCFLSTSA-N 1 2 350.278 2.810 20 30 FFEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C(F)C(F)(F)F)C2)c1 ZINC001111756456 1029351983 /nfs/dbraw/zinc/35/19/83/1029351983.db2.gz PFSJFAMZMSGGNU-ZOBUZTSGSA-N 1 2 369.362 2.929 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C(F)C(F)(F)F)C2)c1 ZINC001111756456 1029351990 /nfs/dbraw/zinc/35/19/90/1029351990.db2.gz PFSJFAMZMSGGNU-ZOBUZTSGSA-N 1 2 369.362 2.929 20 30 FFEDLO COc1cc(C)nc(N2CCN(c3[nH+]ccc4ccc(C#N)cc43)CC2)n1 ZINC001158075478 1029727552 /nfs/dbraw/zinc/72/75/52/1029727552.db2.gz BWRRWMHQGZPOOF-UHFFFAOYSA-N 1 2 360.421 2.540 20 30 FFEDLO C=C[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)o1)C2)c1ccccc1 ZINC001112001301 1029850099 /nfs/dbraw/zinc/85/00/99/1029850099.db2.gz QOKGHPIRUXMVSC-WFXMLNOXSA-N 1 2 366.465 2.819 20 30 FFEDLO C=C[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)o1)C2)c1ccccc1 ZINC001112001301 1029850104 /nfs/dbraw/zinc/85/01/04/1029850104.db2.gz QOKGHPIRUXMVSC-WFXMLNOXSA-N 1 2 366.465 2.819 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncc(C(C)C)o1)C2 ZINC001112018579 1029867518 /nfs/dbraw/zinc/86/75/18/1029867518.db2.gz GCFFVXNJBDFUHD-FTRWYGJKSA-N 1 2 361.486 2.860 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncc(C(C)C)o1)C2 ZINC001112018579 1029867525 /nfs/dbraw/zinc/86/75/25/1029867525.db2.gz GCFFVXNJBDFUHD-FTRWYGJKSA-N 1 2 361.486 2.860 20 30 FFEDLO Cc1conc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112100643 1030003967 /nfs/dbraw/zinc/00/39/67/1030003967.db2.gz IGWMIOSGLIBYMH-TZMCWYRMSA-N 1 2 357.376 2.511 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cnns2)C1 ZINC001112108867 1030025412 /nfs/dbraw/zinc/02/54/12/1030025412.db2.gz QAYNYLYGUXODPP-VXGBXAGGSA-N 1 2 362.421 2.619 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001112109282 1030027778 /nfs/dbraw/zinc/02/77/78/1030027778.db2.gz FMWKFAPYQHIZLM-CHWSQXEVSA-N 1 2 371.407 2.517 20 30 FFEDLO N#Cc1cc2c(nc1N1Cc3c[nH+]cn3C[C@H](COCC3CC3)C1)CCC2 ZINC001165690319 1030083115 /nfs/dbraw/zinc/08/31/15/1030083115.db2.gz IITMHABNCUEOQK-MRXNPFEDSA-N 1 2 363.465 2.701 20 30 FFEDLO N#Cc1c[nH]c2nc(N3Cc4c[nH+]cn4C[C@@H](COCC4CC4)C3)ccc12 ZINC001165689856 1030084302 /nfs/dbraw/zinc/08/43/02/1030084302.db2.gz AUIYGVCKBULLEQ-HNNXBMFYSA-N 1 2 362.437 2.694 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12CN(c1cc(CC(=O)OCC)cc[nH+]1)CCO2 ZINC001166370200 1030387287 /nfs/dbraw/zinc/38/72/87/1030387287.db2.gz HVHVGLWGPKANFI-WIYYLYMNSA-N 1 2 374.481 2.765 20 30 FFEDLO CCN(CC)c1ccnc([C@H]2COCCN2c2ccc(CC#N)c(C)[nH+]2)n1 ZINC001166431752 1030404035 /nfs/dbraw/zinc/40/40/35/1030404035.db2.gz XUSFXZACPKYKHU-QGZVFWFLSA-N 1 2 366.469 2.670 20 30 FFEDLO Cn1nc(-c2ccccc2)cc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC001143011905 1031153197 /nfs/dbraw/zinc/15/31/97/1031153197.db2.gz GEXJQTYVPMJSND-UHFFFAOYSA-N 1 2 358.449 2.676 20 30 FFEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cc(O)c(O)c(OC)c1)CCO2 ZINC001204343243 1031238030 /nfs/dbraw/zinc/23/80/30/1031238030.db2.gz QPRSBYKXKYTMKO-OXJNMPFZSA-N 1 2 363.454 2.680 20 30 FFEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cc(O)c(O)c(OC)c1)CCO2 ZINC001204343243 1031238039 /nfs/dbraw/zinc/23/80/39/1031238039.db2.gz QPRSBYKXKYTMKO-OXJNMPFZSA-N 1 2 363.454 2.680 20 30 FFEDLO N#Cc1ccccc1CN1Cc2c[nH+]cn2C[C@H](COCc2ccccn2)C1 ZINC001204370537 1031258663 /nfs/dbraw/zinc/25/86/63/1031258663.db2.gz CGKAXPUVCFOGSR-GOSISDBHSA-N 1 2 373.460 2.999 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3scc4c3OCCO4)CC2)c(F)c1 ZINC001143190179 1031294478 /nfs/dbraw/zinc/29/44/78/1031294478.db2.gz HFBRTQNBWFOTTH-UHFFFAOYSA-N 1 2 359.426 2.852 20 30 FFEDLO C#CCC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1c1cccc(F)c1 ZINC001205409740 1031721664 /nfs/dbraw/zinc/72/16/64/1031721664.db2.gz DGDZEBAVULDIHJ-RRFJBIMHSA-N 1 2 360.326 2.633 20 30 FFEDLO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1c1cccc(F)c1 ZINC001205409740 1031721674 /nfs/dbraw/zinc/72/16/74/1031721674.db2.gz DGDZEBAVULDIHJ-RRFJBIMHSA-N 1 2 360.326 2.633 20 30 FFEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCO1 ZINC001205447967 1031754161 /nfs/dbraw/zinc/75/41/61/1031754161.db2.gz CBTSEAISOVZSSA-CQSZACIVSA-N 1 2 360.458 2.578 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCO1 ZINC001205447967 1031754178 /nfs/dbraw/zinc/75/41/78/1031754178.db2.gz CBTSEAISOVZSSA-CQSZACIVSA-N 1 2 360.458 2.578 20 30 FFEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1ccc(F)c(C#N)c1)C2 ZINC001205479001 1031778941 /nfs/dbraw/zinc/77/89/41/1031778941.db2.gz NAQCFZYOJPLENR-UHFFFAOYSA-N 1 2 356.449 2.535 20 30 FFEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1ccc(F)c(C#N)c1)C2 ZINC001205479001 1031778952 /nfs/dbraw/zinc/77/89/52/1031778952.db2.gz NAQCFZYOJPLENR-UHFFFAOYSA-N 1 2 356.449 2.535 20 30 FFEDLO CCc1cc(NNC2=CC(=O)N3CCCC[C@@H]23)[nH+]c(-c2ccccn2)n1 ZINC000799479687 1031780915 /nfs/dbraw/zinc/78/09/15/1031780915.db2.gz CCRMXHUYBLRWNM-INIZCTEOSA-N 1 2 350.426 2.654 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3CCC)[C@H]2C1 ZINC001223310351 1033384733 /nfs/dbraw/zinc/38/47/33/1033384733.db2.gz XYAWKMZKQLDBIW-MOPGFXCFSA-N 1 2 371.529 2.613 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3CCC)[C@H]2C1 ZINC001223310351 1033384742 /nfs/dbraw/zinc/38/47/42/1033384742.db2.gz XYAWKMZKQLDBIW-MOPGFXCFSA-N 1 2 371.529 2.613 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1csc(-c2ccncc2)n1 ZINC001276949387 1033733933 /nfs/dbraw/zinc/73/39/33/1033733933.db2.gz ROTYLHXZWSBOPH-FQEVSTJZSA-N 1 2 366.490 2.795 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1csc(-c2ccncc2)n1 ZINC001276949387 1033733947 /nfs/dbraw/zinc/73/39/47/1033733947.db2.gz ROTYLHXZWSBOPH-FQEVSTJZSA-N 1 2 366.490 2.795 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3csc(CC)n3)[C@H]2C1 ZINC001224289209 1033830010 /nfs/dbraw/zinc/83/00/10/1033830010.db2.gz JKJMVMZRUOYDGD-INMHGKMJSA-N 1 2 363.527 2.719 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3csc(CC)n3)[C@H]2C1 ZINC001224289209 1033830013 /nfs/dbraw/zinc/83/00/13/1033830013.db2.gz JKJMVMZRUOYDGD-INMHGKMJSA-N 1 2 363.527 2.719 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001220143035 1034001978 /nfs/dbraw/zinc/00/19/78/1034001978.db2.gz RHFIQFCMCWOWNA-CABCVRRESA-N 1 2 356.388 2.579 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001220143035 1034001993 /nfs/dbraw/zinc/00/19/93/1034001993.db2.gz RHFIQFCMCWOWNA-CABCVRRESA-N 1 2 356.388 2.579 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@@H]1O ZINC001220182568 1034026257 /nfs/dbraw/zinc/02/62/57/1034026257.db2.gz GNPZRJNTKGZZHF-XWIAVFTESA-N 1 2 366.864 2.895 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@@H]1O ZINC001220182568 1034026271 /nfs/dbraw/zinc/02/62/71/1034026271.db2.gz GNPZRJNTKGZZHF-XWIAVFTESA-N 1 2 366.864 2.895 20 30 FFEDLO CCCC(CCC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001220232359 1034060604 /nfs/dbraw/zinc/06/06/04/1034060604.db2.gz RLRKBDPXINKXAZ-UXHICEINSA-N 1 2 360.473 2.555 20 30 FFEDLO CCCC(CCC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001220232359 1034060618 /nfs/dbraw/zinc/06/06/18/1034060618.db2.gz RLRKBDPXINKXAZ-UXHICEINSA-N 1 2 360.473 2.555 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(Cl)c2)C[C@@H]1O ZINC001220292134 1034102088 /nfs/dbraw/zinc/10/20/88/1034102088.db2.gz NZVKZIRDKIWXJW-JTDSTZFVSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(Cl)c2)C[C@@H]1O ZINC001220292134 1034102101 /nfs/dbraw/zinc/10/21/01/1034102101.db2.gz NZVKZIRDKIWXJW-JTDSTZFVSA-N 1 2 366.889 2.612 20 30 FFEDLO C#C[C@@H](NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)c1ccccc1 ZINC000831570753 1034129347 /nfs/dbraw/zinc/12/93/47/1034129347.db2.gz LKLCXABFUZOHKQ-QGZVFWFLSA-N 1 2 350.422 2.723 20 30 FFEDLO CC[C@@H](C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220593898 1034276201 /nfs/dbraw/zinc/27/62/01/1034276201.db2.gz JGAZPVGNONMQMF-LZQZEXGQSA-N 1 2 362.901 2.679 20 30 FFEDLO CC[C@@H](C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220593898 1034276215 /nfs/dbraw/zinc/27/62/15/1034276215.db2.gz JGAZPVGNONMQMF-LZQZEXGQSA-N 1 2 362.901 2.679 20 30 FFEDLO COc1ccnc(O[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1C#N ZINC001225565442 1034309345 /nfs/dbraw/zinc/30/93/45/1034309345.db2.gz ASMYYBJVULFLOM-KXBFYZLASA-N 1 2 353.422 2.630 20 30 FFEDLO COc1ccnc(O[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1C#N ZINC001225565442 1034309361 /nfs/dbraw/zinc/30/93/61/1034309361.db2.gz ASMYYBJVULFLOM-KXBFYZLASA-N 1 2 353.422 2.630 20 30 FFEDLO CCCCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220895625 1034446683 /nfs/dbraw/zinc/44/66/83/1034446683.db2.gz DLJFQOTXVZWDAZ-MOPGFXCFSA-N 1 2 362.901 2.823 20 30 FFEDLO CCCCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220895625 1034446688 /nfs/dbraw/zinc/44/66/88/1034446688.db2.gz DLJFQOTXVZWDAZ-MOPGFXCFSA-N 1 2 362.901 2.823 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001221443372 1034767333 /nfs/dbraw/zinc/76/73/33/1034767333.db2.gz ZFRWYVTVMBWXKX-RHSMWYFYSA-N 1 2 352.837 2.714 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001221443372 1034767347 /nfs/dbraw/zinc/76/73/47/1034767347.db2.gz ZFRWYVTVMBWXKX-RHSMWYFYSA-N 1 2 352.837 2.714 20 30 FFEDLO CCCCOCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221463081 1034787538 /nfs/dbraw/zinc/78/75/38/1034787538.db2.gz OOLCXBIGFTYWJL-VQIMIIECSA-N 1 2 359.445 2.547 20 30 FFEDLO CCCCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221463081 1034787552 /nfs/dbraw/zinc/78/75/52/1034787552.db2.gz OOLCXBIGFTYWJL-VQIMIIECSA-N 1 2 359.445 2.547 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(Cl)nc3)C[C@H]21 ZINC001221471118 1034795044 /nfs/dbraw/zinc/79/50/44/1034795044.db2.gz OEBJPBUZBQKWIT-IAGOWNOFSA-N 1 2 363.889 2.751 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Cl)nc3)C[C@H]21 ZINC001221471118 1034795058 /nfs/dbraw/zinc/79/50/58/1034795058.db2.gz OEBJPBUZBQKWIT-IAGOWNOFSA-N 1 2 363.889 2.751 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC001221517480 1034835317 /nfs/dbraw/zinc/83/53/17/1034835317.db2.gz ABIITWZMQPQLOF-LSBZLQRGSA-N 1 2 366.864 2.839 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC001221517480 1034835327 /nfs/dbraw/zinc/83/53/27/1034835327.db2.gz ABIITWZMQPQLOF-LSBZLQRGSA-N 1 2 366.864 2.839 20 30 FFEDLO CC(C)COc1ccc(C[NH+]2CCN(c3nccnc3C#N)CC2)cc1 ZINC001138971741 1034855349 /nfs/dbraw/zinc/85/53/49/1034855349.db2.gz YVCAIEZPTRSGEW-UHFFFAOYSA-N 1 2 351.454 2.705 20 30 FFEDLO CCO[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21)C1CC1 ZINC001221558392 1034874939 /nfs/dbraw/zinc/87/49/39/1034874939.db2.gz FXXFVMQXSAXNDW-NSISKUIASA-N 1 2 371.456 2.545 20 30 FFEDLO CCO[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21)C1CC1 ZINC001221558392 1034874947 /nfs/dbraw/zinc/87/49/47/1034874947.db2.gz FXXFVMQXSAXNDW-NSISKUIASA-N 1 2 371.456 2.545 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(OC)c(OC)n1)CCO2 ZINC001139103885 1034939815 /nfs/dbraw/zinc/93/98/15/1034939815.db2.gz XGLFLZSFDOLYRH-OXQOHEQNSA-N 1 2 362.470 2.673 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccc(OC)c(OC)n1)CCO2 ZINC001139103885 1034939818 /nfs/dbraw/zinc/93/98/18/1034939818.db2.gz XGLFLZSFDOLYRH-OXQOHEQNSA-N 1 2 362.470 2.673 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccc(OC(C)(C)C)cc1)C2 ZINC001277191615 1034977565 /nfs/dbraw/zinc/97/75/65/1034977565.db2.gz FQFGMLANDHOIKW-UHFFFAOYSA-N 1 2 358.482 2.853 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCC(F)F)[C@@H]3C2)c(F)c1 ZINC001221694616 1034991206 /nfs/dbraw/zinc/99/12/06/1034991206.db2.gz PZNCSWLWYXJADS-GDBMZVCRSA-N 1 2 351.372 2.775 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CCC(F)F)[C@@H]3C2)c(F)c1 ZINC001221694616 1034991211 /nfs/dbraw/zinc/99/12/11/1034991211.db2.gz PZNCSWLWYXJADS-GDBMZVCRSA-N 1 2 351.372 2.775 20 30 FFEDLO COCCC[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221932312 1035164995 /nfs/dbraw/zinc/16/49/95/1035164995.db2.gz RTOZPZBGGJZSJV-PWIZWCRZSA-N 1 2 355.482 2.654 20 30 FFEDLO COCCC[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221932312 1035164998 /nfs/dbraw/zinc/16/49/98/1035164998.db2.gz RTOZPZBGGJZSJV-PWIZWCRZSA-N 1 2 355.482 2.654 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3nccnc3C#N)CC2)cc1C(C)C ZINC001139621216 1035182556 /nfs/dbraw/zinc/18/25/56/1035182556.db2.gz JCKSTFPLWYCSPF-UHFFFAOYSA-N 1 2 351.454 2.802 20 30 FFEDLO Cc1noc(C[C@@H]2C[C@H]3C[N@H+](Cc4cccc(Cl)c4C#N)C[C@H]3O2)n1 ZINC001139689726 1035198910 /nfs/dbraw/zinc/19/89/10/1035198910.db2.gz UAAKRGFRYOUNFG-GRDNDAEWSA-N 1 2 358.829 2.735 20 30 FFEDLO Cc1noc(C[C@@H]2C[C@H]3C[N@@H+](Cc4cccc(Cl)c4C#N)C[C@H]3O2)n1 ZINC001139689726 1035198913 /nfs/dbraw/zinc/19/89/13/1035198913.db2.gz UAAKRGFRYOUNFG-GRDNDAEWSA-N 1 2 358.829 2.735 20 30 FFEDLO Cc1ccc(C[NH+]2CCN(c3ncc(C(F)(F)F)cn3)CC2)cc1C#N ZINC001139726015 1035210060 /nfs/dbraw/zinc/21/00/60/1035210060.db2.gz MVATUONWRFUKEU-UHFFFAOYSA-N 1 2 361.371 2.998 20 30 FFEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1n[nH]c3ccc(OC)cc13)CC2 ZINC001140066272 1035329829 /nfs/dbraw/zinc/32/98/29/1035329829.db2.gz QYLGOEURCWVZOE-UHFFFAOYSA-N 1 2 354.454 2.715 20 30 FFEDLO N#Cc1ccc2[nH]cc(C[N@@H+]3CCCn4c(Cn5cccc5)nnc4C3)c2c1 ZINC001140113478 1035346268 /nfs/dbraw/zinc/34/62/68/1035346268.db2.gz GHYCQBVHQLDSFO-UHFFFAOYSA-N 1 2 371.448 2.887 20 30 FFEDLO N#Cc1ccc2[nH]cc(C[N@H+]3CCCn4c(Cn5cccc5)nnc4C3)c2c1 ZINC001140113478 1035346273 /nfs/dbraw/zinc/34/62/73/1035346273.db2.gz GHYCQBVHQLDSFO-UHFFFAOYSA-N 1 2 371.448 2.887 20 30 FFEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1ccc(C#N)cc1F ZINC001140136553 1035354589 /nfs/dbraw/zinc/35/45/89/1035354589.db2.gz GDUIZQFHGZKCFI-LJQANCHMSA-N 1 2 369.444 2.710 20 30 FFEDLO N#Cc1ccccc1OC1C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140287703 1035419969 /nfs/dbraw/zinc/41/99/69/1035419969.db2.gz AEMZGTQOWNJCRI-UHFFFAOYSA-N 1 2 363.461 2.783 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001228123975 1035948722 /nfs/dbraw/zinc/94/87/22/1035948722.db2.gz VOWOMFZGGMFBQS-ARFHVFGLSA-N 1 2 362.522 2.547 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001228129794 1035950321 /nfs/dbraw/zinc/95/03/21/1035950321.db2.gz JGYGNIKYOZIHLF-BZUAXINKSA-N 1 2 362.522 2.547 20 30 FFEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(Cl)n(C)nc1C(F)F)CC2 ZINC001277300766 1036116784 /nfs/dbraw/zinc/11/67/84/1036116784.db2.gz VBISZRNHVZEVNJ-LBPRGKRZSA-N 1 2 372.847 2.915 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](Cc2cc(Br)c[nH]c2=O)CC1 ZINC001233182477 1036421848 /nfs/dbraw/zinc/42/18/48/1036421848.db2.gz JPTFCXWDCRPYII-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cnc(C)c(Br)c1 ZINC001277350684 1036465410 /nfs/dbraw/zinc/46/54/10/1036465410.db2.gz AVYPCKRFOQLQKR-HZPDHXFCSA-N 1 2 364.287 2.904 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnc(C)c(Br)c1 ZINC001277350684 1036465417 /nfs/dbraw/zinc/46/54/17/1036465417.db2.gz AVYPCKRFOQLQKR-HZPDHXFCSA-N 1 2 364.287 2.904 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cc(C(=O)OCC)ccn1)CCO2 ZINC001233325495 1036533719 /nfs/dbraw/zinc/53/37/19/1036533719.db2.gz QOHDSVBEGBSLOP-WIYYLYMNSA-N 1 2 374.481 2.832 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cc(C(=O)OCC)ccn1)CCO2 ZINC001233325495 1036533732 /nfs/dbraw/zinc/53/37/32/1036533732.db2.gz QOHDSVBEGBSLOP-WIYYLYMNSA-N 1 2 374.481 2.832 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)c(O)c1 ZINC001233384664 1036584203 /nfs/dbraw/zinc/58/42/03/1036584203.db2.gz DIIVCARVTQKIDC-CEWLAPEOSA-N 1 2 365.433 2.607 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)c(O)c1 ZINC001233384664 1036584208 /nfs/dbraw/zinc/58/42/08/1036584208.db2.gz DIIVCARVTQKIDC-CEWLAPEOSA-N 1 2 365.433 2.607 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)c(O)c1 ZINC001233384665 1036586121 /nfs/dbraw/zinc/58/61/21/1036586121.db2.gz DIIVCARVTQKIDC-SESVDKBCSA-N 1 2 365.433 2.607 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)c(O)c1 ZINC001233384665 1036586131 /nfs/dbraw/zinc/58/61/31/1036586131.db2.gz DIIVCARVTQKIDC-SESVDKBCSA-N 1 2 365.433 2.607 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc4c3CCN4C(=O)OC(C)(C)C)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233536817 1036674479 /nfs/dbraw/zinc/67/44/79/1036674479.db2.gz NMCJGHCSHBOCLQ-ADYDWEGLSA-N 1 2 372.465 2.975 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc4c3CCN4C(=O)OC(C)(C)C)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233536817 1036674486 /nfs/dbraw/zinc/67/44/86/1036674486.db2.gz NMCJGHCSHBOCLQ-ADYDWEGLSA-N 1 2 372.465 2.975 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+](Cc3nc4ccc(F)cc4[nH]3)CC2)C1=O ZINC001277409907 1036830890 /nfs/dbraw/zinc/83/08/90/1036830890.db2.gz HHFYGMFWXZEPMS-HXUWFJFHSA-N 1 2 354.429 2.540 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+](Cc3nc4ccc(F)cc4[nH]3)CC2)C1=O ZINC001277409907 1036830893 /nfs/dbraw/zinc/83/08/93/1036830893.db2.gz HHFYGMFWXZEPMS-HXUWFJFHSA-N 1 2 354.429 2.540 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1c[nH]c(=O)c2ccccc12 ZINC001233989463 1036859024 /nfs/dbraw/zinc/85/90/24/1036859024.db2.gz VPZIRRJRMMAZNB-LJQANCHMSA-N 1 2 364.449 2.976 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1c[nH]c(=O)c2ccccc12 ZINC001233989463 1036859045 /nfs/dbraw/zinc/85/90/45/1036859045.db2.gz VPZIRRJRMMAZNB-LJQANCHMSA-N 1 2 364.449 2.976 20 30 FFEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C1 ZINC001206939850 1036954464 /nfs/dbraw/zinc/95/44/64/1036954464.db2.gz XEJLUZNOCJOMRN-MBOZVWFJSA-N 1 2 369.509 2.672 20 30 FFEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C1 ZINC001206939850 1036954476 /nfs/dbraw/zinc/95/44/76/1036954476.db2.gz XEJLUZNOCJOMRN-MBOZVWFJSA-N 1 2 369.509 2.672 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[NH+]1CC2(C1)CN(CCCC)C(=O)CO2 ZINC001277841852 1036974921 /nfs/dbraw/zinc/97/49/21/1036974921.db2.gz ZHYBXLURBSPGDT-GOSISDBHSA-N 1 2 352.519 2.587 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2c(Cl)cccc2Cl)C[C@H]1C ZINC001206955473 1036979446 /nfs/dbraw/zinc/97/94/46/1036979446.db2.gz WCJNVJQPNPETGZ-IIYDPXPESA-N 1 2 369.292 2.968 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2c(Cl)cccc2Cl)C[C@H]1C ZINC001206955473 1036979460 /nfs/dbraw/zinc/97/94/60/1036979460.db2.gz WCJNVJQPNPETGZ-IIYDPXPESA-N 1 2 369.292 2.968 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001207239691 1037275214 /nfs/dbraw/zinc/27/52/14/1037275214.db2.gz JHQHUAMXFMOCAR-UKRRQHHQSA-N 1 2 352.500 2.908 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001207239691 1037275221 /nfs/dbraw/zinc/27/52/21/1037275221.db2.gz JHQHUAMXFMOCAR-UKRRQHHQSA-N 1 2 352.500 2.908 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)CCCCN2c1nc(N(C)CC)c(C)c[nH+]1 ZINC001277920657 1037343533 /nfs/dbraw/zinc/34/35/33/1037343533.db2.gz AQZFGTCDBGCRHK-HXUWFJFHSA-N 1 2 357.502 2.779 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCCN2c1nc(N2CCCC2)c(C)c[nH+]1 ZINC001277927107 1037383753 /nfs/dbraw/zinc/38/37/53/1037383753.db2.gz JYFGGZUGPHGMBW-HXUWFJFHSA-N 1 2 355.486 2.533 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H](Oc2cc3c(cc2O)C=[NH+]CC3)C[C@H]1C#N ZINC001230920354 1037405945 /nfs/dbraw/zinc/40/59/45/1037405945.db2.gz MRBVMTLJTFBJOJ-LSDHHAIUSA-N 1 2 357.410 2.648 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001208128625 1038063928 /nfs/dbraw/zinc/06/39/28/1038063928.db2.gz BUERMBJHXOAVPM-BJZITVGISA-N 1 2 365.905 2.900 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001208128625 1038063948 /nfs/dbraw/zinc/06/39/48/1038063948.db2.gz BUERMBJHXOAVPM-BJZITVGISA-N 1 2 365.905 2.900 20 30 FFEDLO N#CCCCN1CCC2(CC[NH+](Cc3nc(Cl)ccc3F)CC2)C1=O ZINC001277617528 1038185602 /nfs/dbraw/zinc/18/56/02/1038185602.db2.gz YFKYSAHIELTLNV-UHFFFAOYSA-N 1 2 364.852 2.992 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ncccc1Br ZINC001277619628 1038197498 /nfs/dbraw/zinc/19/74/98/1038197498.db2.gz PICHHTMMAQIUEJ-QGZVFWFLSA-N 1 2 364.287 2.987 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ncccc1Br ZINC001277619628 1038197503 /nfs/dbraw/zinc/19/75/03/1038197503.db2.gz PICHHTMMAQIUEJ-QGZVFWFLSA-N 1 2 364.287 2.987 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001208312267 1038205272 /nfs/dbraw/zinc/20/52/72/1038205272.db2.gz IJTSJJZLBIBYBE-UYAOXDASSA-N 1 2 369.509 2.954 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001208312267 1038205284 /nfs/dbraw/zinc/20/52/84/1038205284.db2.gz IJTSJJZLBIBYBE-UYAOXDASSA-N 1 2 369.509 2.954 20 30 FFEDLO N#CCCCN1C(=O)COCC12C[NH+](Cc1ccc(C3CCC3)cc1)C2 ZINC001278012003 1038276546 /nfs/dbraw/zinc/27/65/46/1038276546.db2.gz NCYXIBJYWQTRMK-UHFFFAOYSA-N 1 2 353.466 2.671 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001208393926 1038281194 /nfs/dbraw/zinc/28/11/94/1038281194.db2.gz ZQTOLYIRDBVQRT-RVKKMQEKSA-N 1 2 361.461 2.803 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001208393926 1038281199 /nfs/dbraw/zinc/28/11/99/1038281199.db2.gz ZQTOLYIRDBVQRT-RVKKMQEKSA-N 1 2 361.461 2.803 20 30 FFEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H](C)Cc1cccc(OC)c1 ZINC001256156866 1038408735 /nfs/dbraw/zinc/40/87/35/1038408735.db2.gz QWXUBGFKZCMSCM-FOIQADDNSA-N 1 2 352.434 2.872 20 30 FFEDLO CC(C)(C)Oc1cccc(C[NH+]2CCN(c3nccnc3C#N)CC2)c1 ZINC001237101412 1038443534 /nfs/dbraw/zinc/44/35/34/1038443534.db2.gz AXMJIOAQKBJBQB-UHFFFAOYSA-N 1 2 351.454 2.848 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3cc(F)c(F)cc3Cl)C2)OCC1=O ZINC001276576198 1038477204 /nfs/dbraw/zinc/47/72/04/1038477204.db2.gz UVOXJWBYBCKKLI-SFHVURJKSA-N 1 2 370.827 2.998 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3cc(F)c(F)cc3Cl)C2)OCC1=O ZINC001276576198 1038477209 /nfs/dbraw/zinc/47/72/09/1038477209.db2.gz UVOXJWBYBCKKLI-SFHVURJKSA-N 1 2 370.827 2.998 20 30 FFEDLO C=CCN(CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)C(=O)OCC ZINC001209019703 1038636096 /nfs/dbraw/zinc/63/60/96/1038636096.db2.gz QISJAAOLOUESFT-HNNXBMFYSA-N 1 2 355.479 2.572 20 30 FFEDLO C=CCN(CC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)C(=O)OCC ZINC001209019703 1038636099 /nfs/dbraw/zinc/63/60/99/1038636099.db2.gz QISJAAOLOUESFT-HNNXBMFYSA-N 1 2 355.479 2.572 20 30 FFEDLO C=CCN(CC[NH+]1CCN(Cc2c(F)cccc2F)CC1)C(=O)OCC ZINC001209020888 1038636120 /nfs/dbraw/zinc/63/61/20/1038636120.db2.gz PNBMQVRNTXMBMS-UHFFFAOYSA-N 1 2 367.440 2.727 20 30 FFEDLO CC(C)CNC(=O)[C@H]1CC12CC[NH+](CC(=O)c1ccc(C#N)cc1)CC2 ZINC001276628216 1038737811 /nfs/dbraw/zinc/73/78/11/1038737811.db2.gz WMPJGSKYRWYOOB-GOSISDBHSA-N 1 2 353.466 2.615 20 30 FFEDLO N#Cc1cc(F)c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cn[nH]c2)c(Cl)c1 ZINC001278620559 1038880273 /nfs/dbraw/zinc/88/02/73/1038880273.db2.gz YDSKBRSHRNYEPT-OKILXGFUSA-N 1 2 373.819 2.563 20 30 FFEDLO N#Cc1cc(F)c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cn[nH]c2)c(Cl)c1 ZINC001278620559 1038880298 /nfs/dbraw/zinc/88/02/98/1038880298.db2.gz YDSKBRSHRNYEPT-OKILXGFUSA-N 1 2 373.819 2.563 20 30 FFEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1Cc1c(C)[nH]c2ncccc12 ZINC001209588787 1039029400 /nfs/dbraw/zinc/02/94/00/1039029400.db2.gz SSSUAWOBBSMBRA-SFHVURJKSA-N 1 2 366.469 2.785 20 30 FFEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1Cc1c(C)[nH]c2ncccc12 ZINC001209588787 1039029419 /nfs/dbraw/zinc/02/94/19/1039029419.db2.gz SSSUAWOBBSMBRA-SFHVURJKSA-N 1 2 366.469 2.785 20 30 FFEDLO Cc1ncsc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(O)c(C#N)c1 ZINC001279057308 1039049605 /nfs/dbraw/zinc/04/96/05/1039049605.db2.gz WPFVSJQJXDOQCK-HOTGVXAUSA-N 1 2 368.462 2.518 20 30 FFEDLO Cc1ncsc1C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(O)c(C#N)c1 ZINC001279057308 1039049622 /nfs/dbraw/zinc/04/96/22/1039049622.db2.gz WPFVSJQJXDOQCK-HOTGVXAUSA-N 1 2 368.462 2.518 20 30 FFEDLO Cc1cc(N2CCOCC2)cc2[nH+]c(-c3cnn4ccc(C#N)cc34)[nH]c21 ZINC001251809948 1039308064 /nfs/dbraw/zinc/30/80/64/1039308064.db2.gz VQTRXMLQVMDUMY-UHFFFAOYSA-N 1 2 358.405 2.894 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1Cc1c(F)c(Br)ccc1C(F)(F)F ZINC001210122905 1039392470 /nfs/dbraw/zinc/39/24/70/1039392470.db2.gz UYDUHVOTYOATHV-QMMMGPOBSA-N 1 2 366.156 2.904 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1Cc1cc(Br)ccc1OC(F)(F)F ZINC001210120645 1039393284 /nfs/dbraw/zinc/39/32/84/1039393284.db2.gz GRAQKOOHFFYYJD-LLVKDONJSA-N 1 2 364.165 2.645 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(C)s3)C[C@H]2C)CCOCC1 ZINC001210679970 1039665598 /nfs/dbraw/zinc/66/55/98/1039665598.db2.gz XMWWJYFUUXVXTA-GDBMZVCRSA-N 1 2 363.527 2.761 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ncc(C)s3)C[C@H]2C)CCOCC1 ZINC001210679970 1039665608 /nfs/dbraw/zinc/66/56/08/1039665608.db2.gz XMWWJYFUUXVXTA-GDBMZVCRSA-N 1 2 363.527 2.761 20 30 FFEDLO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)no1 ZINC001247622100 1039842940 /nfs/dbraw/zinc/84/29/40/1039842940.db2.gz FWJVHYCEMUWUSR-LLVKDONJSA-N 1 2 361.345 2.996 20 30 FFEDLO C=CCCCNC(=S)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001247727151 1039917538 /nfs/dbraw/zinc/91/75/38/1039917538.db2.gz CHIQBFALXPPCQK-UHFFFAOYSA-N 1 2 363.527 2.787 20 30 FFEDLO C=CCCCNC(=S)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001247727151 1039917544 /nfs/dbraw/zinc/91/75/44/1039917544.db2.gz CHIQBFALXPPCQK-UHFFFAOYSA-N 1 2 363.527 2.787 20 30 FFEDLO Cc1csc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)n1 ZINC001211232742 1040018056 /nfs/dbraw/zinc/01/80/56/1040018056.db2.gz VRWFCOOKFAGRIN-CRAIPNDOSA-N 1 2 353.491 2.830 20 30 FFEDLO Cc1csc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)n1 ZINC001211232742 1040018073 /nfs/dbraw/zinc/01/80/73/1040018073.db2.gz VRWFCOOKFAGRIN-CRAIPNDOSA-N 1 2 353.491 2.830 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C(CC)CC)n2)C[C@H]1C ZINC001211420963 1040179592 /nfs/dbraw/zinc/17/95/92/1040179592.db2.gz ZARVVDIYLDNGQH-VQIMIIECSA-N 1 2 362.518 2.773 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(CC)CC)n2)C[C@H]1C ZINC001211420963 1040179603 /nfs/dbraw/zinc/17/96/03/1040179603.db2.gz ZARVVDIYLDNGQH-VQIMIIECSA-N 1 2 362.518 2.773 20 30 FFEDLO CCc1cc(CN2CCCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)C2)on1 ZINC001278504950 1040240810 /nfs/dbraw/zinc/24/08/10/1040240810.db2.gz RWIAHQVUOWZFAW-UHFFFAOYSA-N 1 2 353.470 2.545 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc3ccccc3o2)C[C@H]1OC ZINC001213303780 1040425225 /nfs/dbraw/zinc/42/52/25/1040425225.db2.gz ZSVUREUNWHWINP-SZVBFZGTSA-N 1 2 369.465 2.898 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc3ccccc3o2)C[C@H]1OC ZINC001213303780 1040425240 /nfs/dbraw/zinc/42/52/40/1040425240.db2.gz ZSVUREUNWHWINP-SZVBFZGTSA-N 1 2 369.465 2.898 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1OC ZINC001213319850 1040442964 /nfs/dbraw/zinc/44/29/64/1040442964.db2.gz DXHCGMSSKIFJLV-KBAYOESNSA-N 1 2 362.518 2.556 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1OC ZINC001213319850 1040442977 /nfs/dbraw/zinc/44/29/77/1040442977.db2.gz DXHCGMSSKIFJLV-KBAYOESNSA-N 1 2 362.518 2.556 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213317676 1040443031 /nfs/dbraw/zinc/44/30/31/1040443031.db2.gz SJAXWPIGOBOBHW-PWIZWCRZSA-N 1 2 358.457 2.595 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213317676 1040443037 /nfs/dbraw/zinc/44/30/37/1040443037.db2.gz SJAXWPIGOBOBHW-PWIZWCRZSA-N 1 2 358.457 2.595 20 30 FFEDLO N#Cc1ccn2ncc(C[NH+]3CCN(c4cc(Cl)ccn4)CC3)c2c1 ZINC001249107266 1040584749 /nfs/dbraw/zinc/58/47/49/1040584749.db2.gz UEUNRSBKJIMZGF-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO CC(C)(C)OC(=O)N1CC([N@H+](Cc2cnn3ccc(C#N)cc23)C2CC2)C1 ZINC001249118541 1040587334 /nfs/dbraw/zinc/58/73/34/1040587334.db2.gz GTZLUJSVHVRAEC-UHFFFAOYSA-N 1 2 367.453 2.790 20 30 FFEDLO CC(C)(C)OC(=O)N1CC([N@@H+](Cc2cnn3ccc(C#N)cc23)C2CC2)C1 ZINC001249118541 1040587352 /nfs/dbraw/zinc/58/73/52/1040587352.db2.gz GTZLUJSVHVRAEC-UHFFFAOYSA-N 1 2 367.453 2.790 20 30 FFEDLO N#Cc1ccc2cc(C[NH+]3CCN(c4nccc(Cl)n4)CC3)[nH]c2c1 ZINC001249429736 1040761433 /nfs/dbraw/zinc/76/14/33/1040761433.db2.gz NUWSGNZQHCZVNT-UHFFFAOYSA-N 1 2 352.829 2.805 20 30 FFEDLO Cc1nc(COC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C#N)C3)Cc3ncn(C)c32)cs1 ZINC001254664964 1040866849 /nfs/dbraw/zinc/86/68/49/1040866849.db2.gz KMPNPXCWSWLAET-YQQAZPJKSA-N 1 2 371.510 2.993 20 30 FFEDLO Cc1nc(COC[C@@H]2C[N@H+]([C@@H]3CC[C@H](C#N)C3)Cc3ncn(C)c32)cs1 ZINC001254664964 1040866859 /nfs/dbraw/zinc/86/68/59/1040866859.db2.gz KMPNPXCWSWLAET-YQQAZPJKSA-N 1 2 371.510 2.993 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)nc2)C[C@H]1OC ZINC001213770992 1040890680 /nfs/dbraw/zinc/89/06/80/1040890680.db2.gz NYFPMBRKMDDDTG-RTBURBONSA-N 1 2 362.518 2.851 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)nc2)C[C@H]1OC ZINC001213770992 1040890688 /nfs/dbraw/zinc/89/06/88/1040890688.db2.gz NYFPMBRKMDDDTG-RTBURBONSA-N 1 2 362.518 2.851 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)C(C)(F)F ZINC001213790448 1040910832 /nfs/dbraw/zinc/91/08/32/1040910832.db2.gz COEJRPIDMDOYLS-IAGOWNOFSA-N 1 2 364.436 2.535 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)C(C)(F)F ZINC001213790448 1040910854 /nfs/dbraw/zinc/91/08/54/1040910854.db2.gz COEJRPIDMDOYLS-IAGOWNOFSA-N 1 2 364.436 2.535 20 30 FFEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)C(=O)OCC ZINC001254896180 1041033700 /nfs/dbraw/zinc/03/37/00/1041033700.db2.gz QNGHGEQZJKWCMY-YTMVRGIBSA-N 1 2 364.486 2.729 20 30 FFEDLO C[NH+]1CCN(C(=O)c2ccc3[nH]c(CCc4ccc(C#N)cc4)nc3c2)CC1 ZINC001250582534 1041255643 /nfs/dbraw/zinc/25/56/43/1041255643.db2.gz ZBUMVBJVEAJLDS-UHFFFAOYSA-N 1 2 373.460 2.607 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1cccs1 ZINC001262941769 1041978056 /nfs/dbraw/zinc/97/80/56/1041978056.db2.gz TZTGRIXHHNMSDA-MRXNPFEDSA-N 1 2 361.515 2.944 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1cccs1 ZINC001262941769 1041978064 /nfs/dbraw/zinc/97/80/64/1041978064.db2.gz TZTGRIXHHNMSDA-MRXNPFEDSA-N 1 2 361.515 2.944 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCc2c(O)cccc2C1 ZINC001262948419 1041983246 /nfs/dbraw/zinc/98/32/46/1041983246.db2.gz LBXOOKMWQOPXQD-QGZVFWFLSA-N 1 2 353.470 2.889 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCc2c(O)cccc2C1 ZINC001262948419 1041983249 /nfs/dbraw/zinc/98/32/49/1041983249.db2.gz LBXOOKMWQOPXQD-QGZVFWFLSA-N 1 2 353.470 2.889 20 30 FFEDLO C=C(C)CN(C)c1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1CC ZINC001263043856 1042061135 /nfs/dbraw/zinc/06/11/35/1042061135.db2.gz XMBJVNLPIZRGNY-SFHVURJKSA-N 1 2 355.486 2.884 20 30 FFEDLO C=C(C)CN(C)c1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1CC ZINC001263043856 1042061140 /nfs/dbraw/zinc/06/11/40/1042061140.db2.gz XMBJVNLPIZRGNY-SFHVURJKSA-N 1 2 355.486 2.884 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001216810320 1042130198 /nfs/dbraw/zinc/13/01/98/1042130198.db2.gz LIIMSLRJBUALER-ATZDWAIDSA-N 1 2 368.481 2.750 20 30 FFEDLO C=C(C)Cn1c(-c2cc(C)on2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001263341400 1042249637 /nfs/dbraw/zinc/24/96/37/1042249637.db2.gz MRHCXORBLMUCDW-UHFFFAOYSA-N 1 2 365.441 2.539 20 30 FFEDLO C#C[C@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2CCCOCC)C1 ZINC001263357596 1042259844 /nfs/dbraw/zinc/25/98/44/1042259844.db2.gz KPTUNDMMVFVJBK-SFHVURJKSA-N 1 2 359.518 2.540 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCCO1 ZINC001263586931 1042387977 /nfs/dbraw/zinc/38/79/77/1042387977.db2.gz SZLYILDXUXKUEW-QZTJIDSGSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCCO1 ZINC001263586931 1042387983 /nfs/dbraw/zinc/38/79/83/1042387983.db2.gz SZLYILDXUXKUEW-QZTJIDSGSA-N 1 2 372.517 2.744 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2CCC[N@H+]2C)n1C[C@H]1CCCCO1 ZINC001263587280 1042388202 /nfs/dbraw/zinc/38/82/02/1042388202.db2.gz YQKXLVMCKKBRBS-KURKYZTESA-N 1 2 357.502 2.606 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2CCC[N@@H+]2C)n1C[C@H]1CCCCO1 ZINC001263587280 1042388210 /nfs/dbraw/zinc/38/82/10/1042388210.db2.gz YQKXLVMCKKBRBS-KURKYZTESA-N 1 2 357.502 2.606 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2CCC[N@H+]2C)n1C[C@@H]1CCCCO1 ZINC001263587282 1042388329 /nfs/dbraw/zinc/38/83/29/1042388329.db2.gz YQKXLVMCKKBRBS-SQNIBIBYSA-N 1 2 357.502 2.606 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2CCC[N@@H+]2C)n1C[C@@H]1CCCCO1 ZINC001263587282 1042388333 /nfs/dbraw/zinc/38/83/33/1042388333.db2.gz YQKXLVMCKKBRBS-SQNIBIBYSA-N 1 2 357.502 2.606 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)[C@@H]1C ZINC001264134559 1042631366 /nfs/dbraw/zinc/63/13/66/1042631366.db2.gz QNVFBELNMSKHCD-YCPHGPKFSA-N 1 2 351.878 2.795 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)[C@@H]1C ZINC001264134559 1042631368 /nfs/dbraw/zinc/63/13/68/1042631368.db2.gz QNVFBELNMSKHCD-YCPHGPKFSA-N 1 2 351.878 2.795 20 30 FFEDLO C#CCCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C)on3)[C@@H]2C)cc1 ZINC001264701478 1042787500 /nfs/dbraw/zinc/78/75/00/1042787500.db2.gz VVECXNAMPQLKCB-UZLBHIALSA-N 1 2 367.449 2.778 20 30 FFEDLO C#CCCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)on3)[C@@H]2C)cc1 ZINC001264701478 1042787505 /nfs/dbraw/zinc/78/75/05/1042787505.db2.gz VVECXNAMPQLKCB-UZLBHIALSA-N 1 2 367.449 2.778 20 30 FFEDLO Cn1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cc(O)ccc2F)cc1C#N ZINC001279190927 1042939428 /nfs/dbraw/zinc/93/94/28/1042939428.db2.gz LJZDDMXYKQVBFT-PMACEKPBSA-N 1 2 354.429 2.590 20 30 FFEDLO Cn1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cc(O)ccc2F)cc1C#N ZINC001279190927 1042939430 /nfs/dbraw/zinc/93/94/30/1042939430.db2.gz LJZDDMXYKQVBFT-PMACEKPBSA-N 1 2 354.429 2.590 20 30 FFEDLO N#Cc1ccc2[nH]cc(C[N@@H+]3C[C@@H]4COC[C@H](C3)N4C3CCCC3)c2c1 ZINC001279224973 1042952070 /nfs/dbraw/zinc/95/20/70/1042952070.db2.gz VXGWDJPDUWNZMV-KDURUIRLSA-N 1 2 350.466 2.867 20 30 FFEDLO N#Cc1ccc2[nH]cc(C[N@H+]3C[C@@H]4COC[C@H](C3)N4C3CCCC3)c2c1 ZINC001279224973 1042952073 /nfs/dbraw/zinc/95/20/73/1042952073.db2.gz VXGWDJPDUWNZMV-KDURUIRLSA-N 1 2 350.466 2.867 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3Cc2ccc[nH]2)c1Cl ZINC001279320335 1042999022 /nfs/dbraw/zinc/99/90/22/1042999022.db2.gz NWXQCOZWTHOLGI-HDICACEKSA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3Cc2ccc[nH]2)c1Cl ZINC001279320335 1042999024 /nfs/dbraw/zinc/99/90/24/1042999024.db2.gz NWXQCOZWTHOLGI-HDICACEKSA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)ccn1 ZINC001237467272 1043184402 /nfs/dbraw/zinc/18/44/02/1043184402.db2.gz ZMPSDXZLROMRHO-CEWLAPEOSA-N 1 2 364.449 2.544 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)ccn1 ZINC001237467272 1043184410 /nfs/dbraw/zinc/18/44/10/1043184410.db2.gz ZMPSDXZLROMRHO-CEWLAPEOSA-N 1 2 364.449 2.544 20 30 FFEDLO N#Cc1cc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(F)cc1F ZINC001237523652 1043216738 /nfs/dbraw/zinc/21/67/38/1043216738.db2.gz CFPAZIBPIHPKDB-UHFFFAOYSA-N 1 2 371.387 2.883 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cc(OC)nc(OC)c1)CCO2 ZINC001237560196 1043240396 /nfs/dbraw/zinc/24/03/96/1043240396.db2.gz TUNMOHMSFGWHTF-YLJYHZDGSA-N 1 2 362.470 2.673 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cc(OC)nc(OC)c1)CCO2 ZINC001237560196 1043240407 /nfs/dbraw/zinc/24/04/07/1043240407.db2.gz TUNMOHMSFGWHTF-YLJYHZDGSA-N 1 2 362.470 2.673 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(CCc4cccc(Cl)c4)C3)C2)cc1C#N ZINC001279610360 1043337069 /nfs/dbraw/zinc/33/70/69/1043337069.db2.gz BKUCXUWFRBXCBL-UHFFFAOYSA-N 1 2 354.885 2.910 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)Nc3ccc(C#N)cc3)C2)c1 ZINC001309984603 1043619879 /nfs/dbraw/zinc/61/98/79/1043619879.db2.gz LVBDFKFMHVOSQM-HXUWFJFHSA-N 1 2 364.449 2.889 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)Nc3ccc(C#N)cc3)C2)c1 ZINC001309984603 1043619889 /nfs/dbraw/zinc/61/98/89/1043619889.db2.gz LVBDFKFMHVOSQM-HXUWFJFHSA-N 1 2 364.449 2.889 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)Nc3ccc(C#N)cc3)C2)c1 ZINC001309984602 1043620529 /nfs/dbraw/zinc/62/05/29/1043620529.db2.gz LVBDFKFMHVOSQM-FQEVSTJZSA-N 1 2 364.449 2.889 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)Nc3ccc(C#N)cc3)C2)c1 ZINC001309984602 1043620533 /nfs/dbraw/zinc/62/05/33/1043620533.db2.gz LVBDFKFMHVOSQM-FQEVSTJZSA-N 1 2 364.449 2.889 20 30 FFEDLO C=CCc1cccc(C[NH+]2CC3(C2)CC[C@@H](C(=O)NC(C)(C)C)O3)c1O ZINC001279978329 1044023888 /nfs/dbraw/zinc/02/38/88/1044023888.db2.gz IBZHWEHJELQYNR-KRWDZBQOSA-N 1 2 358.482 2.769 20 30 FFEDLO Cc1ccc(C#N)c(NC(=O)[C@H]2CC23C[NH+](Cc2ccc(F)nc2)C3)c1 ZINC001279983865 1044036241 /nfs/dbraw/zinc/03/62/41/1044036241.db2.gz UIQYTEBWMNJRCT-MRXNPFEDSA-N 1 2 350.397 2.861 20 30 FFEDLO CSc1ccc(CNC(=O)NCc2ccn3cc[nH+]c3c2)cc1C#N ZINC001312261923 1044082874 /nfs/dbraw/zinc/08/28/74/1044082874.db2.gz PLZRIAKUIVDQSS-UHFFFAOYSA-N 1 2 351.435 2.927 20 30 FFEDLO C=C(C)[C@@H]1CC=C(C[NH+]2CC3(C2)CC[C@@H](C(=O)NCC(F)F)O3)CC1 ZINC001280234305 1044438815 /nfs/dbraw/zinc/43/88/15/1044438815.db2.gz FPUKUEZORVYDEB-CVEARBPZSA-N 1 2 354.441 2.904 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3cccc(C4(C#N)CC4)c3)cn2)CC1 ZINC001241561470 1044548208 /nfs/dbraw/zinc/54/82/08/1044548208.db2.gz ZKGQMBUQYYSPMW-UHFFFAOYSA-N 1 2 361.493 2.963 20 30 FFEDLO N#C[C@]1(F)CCN(c2nnc(C3CCC3)n2CCCNc2cccc[nH+]2)C1 ZINC001316527717 1044795664 /nfs/dbraw/zinc/79/56/64/1044795664.db2.gz OVPSLRHYZTYRMN-LJQANCHMSA-N 1 2 369.448 2.885 20 30 FFEDLO C#CCN(CC#C)c1nnc(CC2CCCC2)n1Cc1c[nH+]ccc1OC ZINC001539284880 1070606100 /nfs/dbraw/zinc/60/61/00/1070606100.db2.gz CWQCIFRZVSUBFN-UHFFFAOYSA-N 1 2 363.465 2.536 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)[C@@H]1C ZINC001316779671 1044938696 /nfs/dbraw/zinc/93/86/96/1044938696.db2.gz KPYITUPFVOKRIE-ZBFHGGJFSA-N 1 2 351.878 2.797 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)[C@@H]1C ZINC001316779671 1044938711 /nfs/dbraw/zinc/93/87/11/1044938711.db2.gz KPYITUPFVOKRIE-ZBFHGGJFSA-N 1 2 351.878 2.797 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001281778971 1045114286 /nfs/dbraw/zinc/11/42/86/1045114286.db2.gz JLOWTBIBCNEEOC-RDTXWAMCSA-N 1 2 366.465 2.886 20 30 FFEDLO C=CCOCC[NH+]1CC(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1 ZINC001318024480 1045195696 /nfs/dbraw/zinc/19/56/96/1045195696.db2.gz ATDRXHPCTBDCTP-BGHVQYPCSA-N 1 2 360.420 2.604 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2Cc2cc(F)ccc2F)CC1 ZINC001539432238 1070636966 /nfs/dbraw/zinc/63/69/66/1070636966.db2.gz ZBIYWEGNKTUALM-HNNXBMFYSA-N 1 2 373.451 2.873 20 30 FFEDLO CN(C)c1cccc(Cl)c1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC001319814937 1045278039 /nfs/dbraw/zinc/27/80/39/1045278039.db2.gz ZNLNUSKRFNROIH-UHFFFAOYSA-N 1 2 355.873 2.995 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C)cc2C)CC1 ZINC001539443966 1070639605 /nfs/dbraw/zinc/63/96/05/1070639605.db2.gz CTPMLEGOZHHVNF-UHFFFAOYSA-N 1 2 374.492 2.694 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C(=O)OCC)C1 ZINC001320160121 1045358785 /nfs/dbraw/zinc/35/87/85/1045358785.db2.gz MOJSCOHGOHPSHC-CQSZACIVSA-N 1 2 366.483 2.757 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C(=O)OCC)C1 ZINC001320160121 1045358790 /nfs/dbraw/zinc/35/87/90/1045358790.db2.gz MOJSCOHGOHPSHC-CQSZACIVSA-N 1 2 366.483 2.757 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1 ZINC001320319665 1045389256 /nfs/dbraw/zinc/38/92/56/1045389256.db2.gz ARRFJZZGBJLNQG-SFHVURJKSA-N 1 2 366.465 2.965 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1 ZINC001320319665 1045389258 /nfs/dbraw/zinc/38/92/58/1045389258.db2.gz ARRFJZZGBJLNQG-SFHVURJKSA-N 1 2 366.465 2.965 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC001282211151 1045423870 /nfs/dbraw/zinc/42/38/70/1045423870.db2.gz NQCLXYZNXBEZAL-KURKYZTESA-N 1 2 360.502 2.619 20 30 FFEDLO C=CC[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)C(=O)OCC ZINC001321037591 1045518833 /nfs/dbraw/zinc/51/88/33/1045518833.db2.gz OSSIOMRIWMWSHE-QZTJIDSGSA-N 1 2 362.445 2.804 20 30 FFEDLO C=CC[C@@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)C(=O)OCC ZINC001321037591 1045518841 /nfs/dbraw/zinc/51/88/41/1045518841.db2.gz OSSIOMRIWMWSHE-QZTJIDSGSA-N 1 2 362.445 2.804 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)C1 ZINC001324710484 1046181324 /nfs/dbraw/zinc/18/13/24/1046181324.db2.gz LORFDGLEIUQNPY-IIBYNOLFSA-N 1 2 369.465 2.878 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC001325621555 1046581384 /nfs/dbraw/zinc/58/13/84/1046581384.db2.gz JQEPYYHLHMYBNX-IBGZPJMESA-N 1 2 351.450 2.618 20 30 FFEDLO N#CCOc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)cc1 ZINC001326808595 1047097024 /nfs/dbraw/zinc/09/70/24/1047097024.db2.gz BLKKAOZEAFNWAE-LJQANCHMSA-N 1 2 350.422 2.977 20 30 FFEDLO N#CCOc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)cc1 ZINC001326808595 1047097036 /nfs/dbraw/zinc/09/70/36/1047097036.db2.gz BLKKAOZEAFNWAE-LJQANCHMSA-N 1 2 350.422 2.977 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2Cc2cccc(Cl)c2)CC1 ZINC001286478866 1047121205 /nfs/dbraw/zinc/12/12/05/1047121205.db2.gz HMCLNKULARBJPF-UHFFFAOYSA-N 1 2 355.873 2.612 20 30 FFEDLO Cc1cc(C[N@@H+]2CCCN(c3cc(C)c([N+](=O)[O-])cc3C#N)CC2)no1 ZINC001327361802 1047865559 /nfs/dbraw/zinc/86/55/59/1047865559.db2.gz WBPCAWSGFIVPSG-UHFFFAOYSA-N 1 2 355.398 2.784 20 30 FFEDLO Cc1cc(C[N@H+]2CCCN(c3cc(C)c([N+](=O)[O-])cc3C#N)CC2)no1 ZINC001327361802 1047865570 /nfs/dbraw/zinc/86/55/70/1047865570.db2.gz WBPCAWSGFIVPSG-UHFFFAOYSA-N 1 2 355.398 2.784 20 30 FFEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]N[C@@H]1CCCSC1 ZINC001331364787 1047893323 /nfs/dbraw/zinc/89/33/23/1047893323.db2.gz QLRXQHXQIGZWDU-CYBMUJFWSA-N 1 2 365.462 2.780 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C)CCCCC1 ZINC001290638132 1048270022 /nfs/dbraw/zinc/27/00/22/1048270022.db2.gz UWLMMXRPNDISKK-CVEARBPZSA-N 1 2 358.486 2.584 20 30 FFEDLO C=CCC1(C(=O)NC2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCC1 ZINC001333725664 1049084342 /nfs/dbraw/zinc/08/43/42/1049084342.db2.gz SRDGVYNVYHIRTR-BHUNQDJPSA-N 1 2 370.497 2.661 20 30 FFEDLO C=CCC1(C(=O)NC2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCC1 ZINC001333725664 1049084355 /nfs/dbraw/zinc/08/43/55/1049084355.db2.gz SRDGVYNVYHIRTR-BHUNQDJPSA-N 1 2 370.497 2.661 20 30 FFEDLO C#CCOc1ccc(CNC(=O)N2CCC(c3c[nH+]cn3C)CC2)cc1 ZINC001341684624 1050306731 /nfs/dbraw/zinc/30/67/31/1050306731.db2.gz FVUJUCPYGBDARK-UHFFFAOYSA-N 1 2 352.438 2.521 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](CCC)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001341740072 1050357919 /nfs/dbraw/zinc/35/79/19/1050357919.db2.gz QZNUKLPIRMCMPU-ABSDTBQOSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](CCC)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001341740072 1050357923 /nfs/dbraw/zinc/35/79/23/1050357923.db2.gz QZNUKLPIRMCMPU-ABSDTBQOSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCOC(C2CC2)(C2CC2)C1 ZINC001341750136 1050367420 /nfs/dbraw/zinc/36/74/20/1050367420.db2.gz NHOUWDFQACQUOR-UHFFFAOYSA-N 1 2 371.529 2.845 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC2(CCC2)C1 ZINC001340194691 1050602982 /nfs/dbraw/zinc/60/29/82/1050602982.db2.gz CRZYYWSVAZUQPE-IAGOWNOFSA-N 1 2 357.502 2.770 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC2(CCC2)C1 ZINC001340194691 1050602984 /nfs/dbraw/zinc/60/29/84/1050602984.db2.gz CRZYYWSVAZUQPE-IAGOWNOFSA-N 1 2 357.502 2.770 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(C)(F)CC1 ZINC001342012385 1050609554 /nfs/dbraw/zinc/60/95/54/1050609554.db2.gz FXCBBNRKZHNBJE-CVEARBPZSA-N 1 2 363.481 2.718 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(C)(F)CC1 ZINC001342012385 1050609558 /nfs/dbraw/zinc/60/95/58/1050609558.db2.gz FXCBBNRKZHNBJE-CVEARBPZSA-N 1 2 363.481 2.718 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(CC1CCCCC1)C1CC1 ZINC001342061124 1050658259 /nfs/dbraw/zinc/65/82/59/1050658259.db2.gz CTWAQFGSDXSAML-QZTJIDSGSA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(CC1CCCCC1)C1CC1 ZINC001342061124 1050658266 /nfs/dbraw/zinc/65/82/66/1050658266.db2.gz CTWAQFGSDXSAML-QZTJIDSGSA-N 1 2 359.518 2.751 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)CCCF ZINC001342242661 1050833446 /nfs/dbraw/zinc/83/34/46/1050833446.db2.gz RWVLLEBXNLLQNJ-CVEARBPZSA-N 1 2 351.470 2.576 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)CCCF ZINC001342242661 1050833456 /nfs/dbraw/zinc/83/34/56/1050833456.db2.gz RWVLLEBXNLLQNJ-CVEARBPZSA-N 1 2 351.470 2.576 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001340449734 1050843602 /nfs/dbraw/zinc/84/36/02/1050843602.db2.gz LKLPIPVSFPJKGD-RTBURBONSA-N 1 2 373.545 2.685 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCOC(C)(C)C1 ZINC001342322820 1050916422 /nfs/dbraw/zinc/91/64/22/1050916422.db2.gz BINFYTHOHBWHQM-MRXNPFEDSA-N 1 2 358.490 2.911 20 30 FFEDLO C=CCn1c([C@@H](O)C(C)C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001340548958 1050937484 /nfs/dbraw/zinc/93/74/84/1050937484.db2.gz ZCWQGNVLBKSMBH-KRWDZBQOSA-N 1 2 356.474 2.629 20 30 FFEDLO C=C(C)CN(CC)c1nnc([C@@H]2C[C@@H](O)C[N@@H+]2C)n1CCc1ccccc1 ZINC001342402559 1050997688 /nfs/dbraw/zinc/99/76/88/1050997688.db2.gz ZFRJRSLURIGRSM-MOPGFXCFSA-N 1 2 369.513 2.661 20 30 FFEDLO C=C(C)CN(CC)c1nnc([C@@H]2C[C@@H](O)C[N@H+]2C)n1CCc1ccccc1 ZINC001342402559 1050997699 /nfs/dbraw/zinc/99/76/99/1050997699.db2.gz ZFRJRSLURIGRSM-MOPGFXCFSA-N 1 2 369.513 2.661 20 30 FFEDLO C[C@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001301974386 1051024238 /nfs/dbraw/zinc/02/42/38/1051024238.db2.gz PNACQAWNPQILGG-OAHLLOKOSA-N 1 2 369.517 2.972 20 30 FFEDLO C=CCn1c(N2CC3(CC3)c3ccccc32)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001340700089 1051065425 /nfs/dbraw/zinc/06/54/25/1051065425.db2.gz BAQZOFGDTBNVLL-MGPUTAFESA-N 1 2 365.481 2.559 20 30 FFEDLO C=CCn1c(N2CC3(CC3)c3ccccc32)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001340700089 1051065432 /nfs/dbraw/zinc/06/54/32/1051065432.db2.gz BAQZOFGDTBNVLL-MGPUTAFESA-N 1 2 365.481 2.559 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001342533200 1051136847 /nfs/dbraw/zinc/13/68/47/1051136847.db2.gz MLGYUAIXYQCEAF-QGZVFWFLSA-N 1 2 357.458 2.621 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1ccco1 ZINC001343007321 1051623206 /nfs/dbraw/zinc/62/32/06/1051623206.db2.gz NFRAMSJXHMJWMU-KRWDZBQOSA-N 1 2 359.474 2.865 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1ccco1 ZINC001343007321 1051623212 /nfs/dbraw/zinc/62/32/12/1051623212.db2.gz NFRAMSJXHMJWMU-KRWDZBQOSA-N 1 2 359.474 2.865 20 30 FFEDLO C=CCC[C@H]1CCCN1c1nnc(Cc2[nH+]ccn2C)n1C[C@H]1CCCO1 ZINC001343135814 1051757066 /nfs/dbraw/zinc/75/70/66/1051757066.db2.gz CABVWAXEBDAXBS-DLBZAZTESA-N 1 2 370.501 2.716 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)[C@@H]1CCCCS1 ZINC001344936677 1052145013 /nfs/dbraw/zinc/14/50/13/1052145013.db2.gz MYGGSVVFQNZGTE-KRWDZBQOSA-N 1 2 365.520 2.761 20 30 FFEDLO N#Cc1c(N)c([N+](=O)[O-])ccc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001306928696 1052224182 /nfs/dbraw/zinc/22/41/82/1052224182.db2.gz ULXMMIYPHLVMRM-GOSISDBHSA-N 1 2 367.409 2.534 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2CCCOCC)C1 ZINC001343861117 1052456647 /nfs/dbraw/zinc/45/66/47/1052456647.db2.gz DEQQMYVZADNMRU-IBGZPJMESA-N 1 2 373.545 2.930 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001343868912 1052461532 /nfs/dbraw/zinc/46/15/32/1052461532.db2.gz YBCULDACISNBBP-IAGOWNOFSA-N 1 2 370.497 2.515 20 30 FFEDLO CC(C)(C)OC(=O)NC(C)(C)c1cc(C[NH2+]Cc2ccc(C#N)cn2)on1 ZINC001308799938 1052501382 /nfs/dbraw/zinc/50/13/82/1052501382.db2.gz ISYFBDWMZLQMDT-UHFFFAOYSA-N 1 2 371.441 2.991 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C)CCC1 ZINC001345609359 1052537388 /nfs/dbraw/zinc/53/73/88/1052537388.db2.gz VQTBAZVHBMQXMF-PMPSAXMXSA-N 1 2 370.497 2.682 20 30 FFEDLO C=CCN(c1nnc(Cc2[nH+]ccn2C)n1Cc1cccs1)C1CC1 ZINC001344643811 1052875448 /nfs/dbraw/zinc/87/54/48/1052875448.db2.gz LVMQNIQXEFPWMD-UHFFFAOYSA-N 1 2 354.483 2.867 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H]1CC ZINC001344817641 1052939744 /nfs/dbraw/zinc/93/97/44/1052939744.db2.gz MAFFTOCPCSBOOK-WCXIOVBPSA-N 1 2 372.513 2.622 20 30 FFEDLO CN(Cc1cc(C#N)cs1)c1nnc(Cc2[nH+]ccn2C)n1CC1CC1 ZINC001346508377 1053057797 /nfs/dbraw/zinc/05/77/97/1053057797.db2.gz ZLRSFLZFAPDNJJ-UHFFFAOYSA-N 1 2 367.482 2.582 20 30 FFEDLO CC(F)(F)C1(C(=O)OCC#Cc2csc(C[NH+]3CCOCC3)c2)CC1 ZINC001346719967 1053256412 /nfs/dbraw/zinc/25/64/12/1053256412.db2.gz JAZJMOKFVPKBNW-UHFFFAOYSA-N 1 2 369.433 2.910 20 30 FFEDLO N#Cc1ccc(-c2cc(C(F)(F)F)nn2CC[NH+]2CCOCC2)cc1 ZINC001335836052 1053591878 /nfs/dbraw/zinc/59/18/78/1053591878.db2.gz IJGYQVVTRNBCEO-UHFFFAOYSA-N 1 2 350.344 2.773 20 30 FFEDLO Cc1ccc(NC(=O)N2CCc3c(C#N)c(N)sc3C2)c(N(C)C)[nH+]1 ZINC001347693681 1054232317 /nfs/dbraw/zinc/23/23/17/1054232317.db2.gz CUOSQGKBTVRTJD-UHFFFAOYSA-N 1 2 356.455 2.562 20 30 FFEDLO CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)ccc1OC ZINC001543407166 1071469074 /nfs/dbraw/zinc/46/90/74/1071469074.db2.gz WYRQYOYZSULFMS-RBSFLKMASA-N 1 2 354.410 2.519 20 30 FFEDLO CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccc1OC ZINC001543407166 1071469081 /nfs/dbraw/zinc/46/90/81/1071469081.db2.gz WYRQYOYZSULFMS-RBSFLKMASA-N 1 2 354.410 2.519 20 30 FFEDLO CC(C)n1ccc(C(=O)OCC#Cc2csc(C[NH+]3CCOCC3)c2)n1 ZINC001347948727 1054490896 /nfs/dbraw/zinc/49/08/96/1054490896.db2.gz LMYLLQYCYZVKEU-UHFFFAOYSA-N 1 2 373.478 2.566 20 30 FFEDLO Cc1cc(Cn2c([C@H]3CCC[N@H+]3C)nnc2N2CCC(CC#N)CC2)no1 ZINC001348278506 1054600341 /nfs/dbraw/zinc/60/03/41/1054600341.db2.gz ZRXSTUCNEBMNNS-QGZVFWFLSA-N 1 2 369.473 2.520 20 30 FFEDLO Cc1cc(Cn2c([C@H]3CCC[N@@H+]3C)nnc2N2CCC(CC#N)CC2)no1 ZINC001348278506 1054600345 /nfs/dbraw/zinc/60/03/45/1054600345.db2.gz ZRXSTUCNEBMNNS-QGZVFWFLSA-N 1 2 369.473 2.520 20 30 FFEDLO N#Cc1cccc2[nH]cc(C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)c21 ZINC001348453098 1054705207 /nfs/dbraw/zinc/70/52/07/1054705207.db2.gz RFDRKVPHCAXNTA-SFHVURJKSA-N 1 2 374.444 2.670 20 30 FFEDLO N#Cc1cccc2[nH]cc(C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)c21 ZINC001348453098 1054705222 /nfs/dbraw/zinc/70/52/22/1054705222.db2.gz RFDRKVPHCAXNTA-SFHVURJKSA-N 1 2 374.444 2.670 20 30 FFEDLO Cn1c(Nc2cnn(C3CCC3)c2)nnc1C1CC[NH+](CCC#N)CC1 ZINC001338139280 1055265298 /nfs/dbraw/zinc/26/52/98/1055265298.db2.gz REECFEJSSMTSPF-UHFFFAOYSA-N 1 2 354.462 2.573 20 30 FFEDLO CCn1ccnc1C(C#N)=C(O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC001349702931 1055423552 /nfs/dbraw/zinc/42/35/52/1055423552.db2.gz STDRJUBOBFKSHH-LJQANCHMSA-N 1 2 365.481 2.923 20 30 FFEDLO CCn1c([C@H](C)CCC#N)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001356543974 1055567820 /nfs/dbraw/zinc/56/78/20/1055567820.db2.gz PRGYYISFXATJNL-CQSZACIVSA-N 1 2 353.474 2.729 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@@H]1c1ccccc1C ZINC001338773542 1055802691 /nfs/dbraw/zinc/80/26/91/1055802691.db2.gz PZHUCXYEYYAOTO-QRQLOZEOSA-N 1 2 367.497 2.852 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H]1c1ccccc1C ZINC001338773542 1055802703 /nfs/dbraw/zinc/80/27/03/1055802703.db2.gz PZHUCXYEYYAOTO-QRQLOZEOSA-N 1 2 367.497 2.852 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCCC2(CCCCC2)C1 ZINC001338776078 1055803806 /nfs/dbraw/zinc/80/38/06/1055803806.db2.gz VPWKNVLTRJNIDU-DLBZAZTESA-N 1 2 359.518 2.752 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCCC2(CCCCC2)C1 ZINC001338776078 1055803817 /nfs/dbraw/zinc/80/38/17/1055803817.db2.gz VPWKNVLTRJNIDU-DLBZAZTESA-N 1 2 359.518 2.752 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(CC)CCSC ZINC001338841504 1055863487 /nfs/dbraw/zinc/86/34/87/1055863487.db2.gz WSSJZENMPKNISA-CVEARBPZSA-N 1 2 365.547 2.579 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(CC)CCSC ZINC001338841504 1055863498 /nfs/dbraw/zinc/86/34/98/1055863498.db2.gz WSSJZENMPKNISA-CVEARBPZSA-N 1 2 365.547 2.579 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(CC)CCSC ZINC001338841510 1055863895 /nfs/dbraw/zinc/86/38/95/1055863895.db2.gz WSSJZENMPKNISA-JKSUJKDBSA-N 1 2 365.547 2.579 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(CC)CCSC ZINC001338841510 1055863902 /nfs/dbraw/zinc/86/39/02/1055863902.db2.gz WSSJZENMPKNISA-JKSUJKDBSA-N 1 2 365.547 2.579 20 30 FFEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)ccc1OC ZINC000847496541 1055931500 /nfs/dbraw/zinc/93/15/00/1055931500.db2.gz QEECTVPLNBHSJK-BBRMVZONSA-N 1 2 356.426 2.594 20 30 FFEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)ccc1OC ZINC000847496541 1055931509 /nfs/dbraw/zinc/93/15/09/1055931509.db2.gz QEECTVPLNBHSJK-BBRMVZONSA-N 1 2 356.426 2.594 20 30 FFEDLO C=CC[C@@H]1N(c2nnc([C@]3(C)C[C@H](O)C[N@@H+]3C)n2CC)CCCC1(C)C ZINC001339241685 1056240969 /nfs/dbraw/zinc/24/09/69/1056240969.db2.gz WTGPBYVVRNACIG-FTRWYGJKSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CC[C@@H]1N(c2nnc([C@]3(C)C[C@H](O)C[N@H+]3C)n2CC)CCCC1(C)C ZINC001339241685 1056240978 /nfs/dbraw/zinc/24/09/78/1056240978.db2.gz WTGPBYVVRNACIG-FTRWYGJKSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC001339541925 1056565784 /nfs/dbraw/zinc/56/57/84/1056565784.db2.gz LVACHZZIAHCRAO-GLJUWKHASA-N 1 2 369.460 2.870 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC001339541925 1056565794 /nfs/dbraw/zinc/56/57/94/1056565794.db2.gz LVACHZZIAHCRAO-GLJUWKHASA-N 1 2 369.460 2.870 20 30 FFEDLO C#CCN(C)c1nnc(C(C)(C)C)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001358937702 1056610321 /nfs/dbraw/zinc/61/03/21/1056610321.db2.gz FIJBYRVRBDOCFC-UHFFFAOYSA-N 1 2 354.502 2.935 20 30 FFEDLO Cn1c(Nc2cnn(C3CCCC3)c2)nnc1C1CC[NH+](CCC#N)CC1 ZINC001339628255 1056653995 /nfs/dbraw/zinc/65/39/95/1056653995.db2.gz LICPBOGXBNRVCK-UHFFFAOYSA-N 1 2 368.489 2.963 20 30 FFEDLO CCn1c(-c2ccc(C)c(C#N)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001339636944 1056663185 /nfs/dbraw/zinc/66/31/85/1056663185.db2.gz VUEPWGMXTDMAEH-UHFFFAOYSA-N 1 2 373.464 2.867 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCCCS2)CC1 ZINC001359028894 1056665645 /nfs/dbraw/zinc/66/56/45/1056665645.db2.gz IISQNJSJJGGWEJ-IAGOWNOFSA-N 1 2 361.559 2.833 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2[C@@H]2C[C@H]2C(C)C)CC1 ZINC001359032432 1056665727 /nfs/dbraw/zinc/66/57/27/1056665727.db2.gz NXVFRWQXXRKKOJ-DLBZAZTESA-N 1 2 353.470 2.819 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCC[C@@H]2OC)CC1 ZINC001359035176 1056667381 /nfs/dbraw/zinc/66/73/81/1056667381.db2.gz NALZVQFUZHKOLK-OALUTQOASA-N 1 2 371.529 2.506 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC001544876896 1071706263 /nfs/dbraw/zinc/70/62/63/1071706263.db2.gz DIKFLDHUAQTBQE-CQSZACIVSA-N 1 2 366.343 2.931 20 30 FFEDLO Cc1cnc(C(=O)OCC#Cc2csc(C[NH+]3CCOCC3)c2)cc1C ZINC001518018946 1058239217 /nfs/dbraw/zinc/23/92/17/1058239217.db2.gz UEYWYOOMBWVKIX-UHFFFAOYSA-N 1 2 370.474 2.801 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc(COc3ccccc3OC)o2)CC1 ZINC001444337877 1058298297 /nfs/dbraw/zinc/29/82/97/1058298297.db2.gz LIIKEEZKDFDDJB-UHFFFAOYSA-N 1 2 368.433 2.648 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc(COc3ccccc3OC)o2)CC1 ZINC001444337877 1058298311 /nfs/dbraw/zinc/29/83/11/1058298311.db2.gz LIIKEEZKDFDDJB-UHFFFAOYSA-N 1 2 368.433 2.648 20 30 FFEDLO Nc1cc(N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)[nH+]cn1 ZINC001354278232 1058802510 /nfs/dbraw/zinc/80/25/10/1058802510.db2.gz JDAOSOIXRYKYIJ-PHDIDXHHSA-N 1 2 362.224 2.666 20 30 FFEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCOC1 ZINC001519584120 1058854370 /nfs/dbraw/zinc/85/43/70/1058854370.db2.gz OTIFYNYXTWFNPA-ROUUACIJSA-N 1 2 372.517 2.601 20 30 FFEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCOC1 ZINC001519584120 1058854393 /nfs/dbraw/zinc/85/43/93/1058854393.db2.gz OTIFYNYXTWFNPA-ROUUACIJSA-N 1 2 372.517 2.601 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2[C@H]2C[C@H]2C)CC1 ZINC001300707597 1059443550 /nfs/dbraw/zinc/44/35/50/1059443550.db2.gz GKJZTNYVNCJWLL-MJGOQNOKSA-N 1 2 365.481 2.502 20 30 FFEDLO C=C(C)Cn1c(-c2cnoc2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001515285693 1059497754 /nfs/dbraw/zinc/49/77/54/1059497754.db2.gz UMYIPNBROCGGPU-UHFFFAOYSA-N 1 2 365.441 2.539 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(C)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001507519600 1059618631 /nfs/dbraw/zinc/61/86/31/1059618631.db2.gz TWJPDPIRNJRXQF-INIZCTEOSA-N 1 2 352.486 2.724 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CCc2ccc(F)cc2)CC1 ZINC001507732088 1059702724 /nfs/dbraw/zinc/70/27/24/1059702724.db2.gz SPJFKHWKVQKSMH-UHFFFAOYSA-N 1 2 367.472 2.683 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 ZINC001455701056 1059877710 /nfs/dbraw/zinc/87/77/10/1059877710.db2.gz AKQNSVWEYXMTNO-INIZCTEOSA-N 1 2 357.454 2.700 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 ZINC001455701056 1059877737 /nfs/dbraw/zinc/87/77/37/1059877737.db2.gz AKQNSVWEYXMTNO-INIZCTEOSA-N 1 2 357.454 2.700 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001355929066 1060737419 /nfs/dbraw/zinc/73/74/19/1060737419.db2.gz HOPIBFJYYBCDGD-JKSUJKDBSA-N 1 2 371.489 2.696 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001355929066 1060737430 /nfs/dbraw/zinc/73/74/30/1060737430.db2.gz HOPIBFJYYBCDGD-JKSUJKDBSA-N 1 2 371.489 2.696 20 30 FFEDLO CC[C@@](O)(C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C(F)(F)F ZINC001459936988 1060854423 /nfs/dbraw/zinc/85/44/23/1060854423.db2.gz SGGDSVOIFJEUHC-HZPDHXFCSA-N 1 2 359.367 2.711 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1(C)C ZINC001460706312 1061071100 /nfs/dbraw/zinc/07/11/00/1061071100.db2.gz DVYDPLJPGRQDHU-HNNXBMFYSA-N 1 2 373.497 2.805 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1(C)C ZINC001460706312 1061071113 /nfs/dbraw/zinc/07/11/13/1061071113.db2.gz DVYDPLJPGRQDHU-HNNXBMFYSA-N 1 2 373.497 2.805 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001522274102 1061847719 /nfs/dbraw/zinc/84/77/19/1061847719.db2.gz DQKMNFFXWLHRJJ-VDCDIQELSA-N 1 2 368.481 2.530 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001522274102 1061847734 /nfs/dbraw/zinc/84/77/34/1061847734.db2.gz DQKMNFFXWLHRJJ-VDCDIQELSA-N 1 2 368.481 2.530 20 30 FFEDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)CNc2ccc(C#N)cn2)C1 ZINC001529293260 1062254536 /nfs/dbraw/zinc/25/45/36/1062254536.db2.gz CXDUYAVBMGWLER-INIZCTEOSA-N 1 2 366.469 2.723 20 30 FFEDLO C=CCCC[C@@H](C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1)c1ccccc1 ZINC001463863798 1062300304 /nfs/dbraw/zinc/30/03/04/1062300304.db2.gz XGYCQKVIEDALGV-HXUWFJFHSA-N 1 2 371.525 2.797 20 30 FFEDLO C=CCCC[C@@H](C(=O)N1CCC[N@H+](CC(=O)NCC)CC1)c1ccccc1 ZINC001463863798 1062300327 /nfs/dbraw/zinc/30/03/27/1062300327.db2.gz XGYCQKVIEDALGV-HXUWFJFHSA-N 1 2 371.525 2.797 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1c1ccccc1 ZINC001479421778 1062362993 /nfs/dbraw/zinc/36/29/93/1062362993.db2.gz BHVCACGCYCWETD-RBUKOAKNSA-N 1 2 352.482 2.861 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1c1ccccc1 ZINC001479421778 1062363012 /nfs/dbraw/zinc/36/30/12/1062363012.db2.gz BHVCACGCYCWETD-RBUKOAKNSA-N 1 2 352.482 2.861 20 30 FFEDLO C=C(C)Cn1c(Nc2ccc(OC)cc2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001523776399 1062618186 /nfs/dbraw/zinc/61/81/86/1062618186.db2.gz AMGNSENTHRMICJ-DNVCBOLYSA-N 1 2 357.458 2.518 20 30 FFEDLO C=C(C)Cn1c(Nc2ccc(OC)cc2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001523776399 1062618197 /nfs/dbraw/zinc/61/81/97/1062618197.db2.gz AMGNSENTHRMICJ-DNVCBOLYSA-N 1 2 357.458 2.518 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@]2(CC2(F)F)C1 ZINC001523812675 1062630292 /nfs/dbraw/zinc/63/02/92/1062630292.db2.gz NMDZGOTXLKTMLU-KRWDZBQOSA-N 1 2 362.428 2.804 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@]2(CC2(F)F)C1 ZINC001523812681 1062631252 /nfs/dbraw/zinc/63/12/52/1062631252.db2.gz NMDZGOTXLKTMLU-QGZVFWFLSA-N 1 2 362.428 2.804 20 30 FFEDLO COc1ccccc1-c1cnc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]2C)o1 ZINC001479701570 1062830401 /nfs/dbraw/zinc/83/04/01/1062830401.db2.gz JMINOTVATXBENG-LZWOXQAQSA-N 1 2 368.437 2.589 20 30 FFEDLO COc1ccccc1-c1cnc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]2C)o1 ZINC001479701570 1062830434 /nfs/dbraw/zinc/83/04/34/1062830434.db2.gz JMINOTVATXBENG-LZWOXQAQSA-N 1 2 368.437 2.589 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@@H+]1Cc1ncc(-c2ccc(F)cc2)o1 ZINC001479706393 1062849321 /nfs/dbraw/zinc/84/93/21/1062849321.db2.gz NUJZBXLEKNZVKI-KDOFPFPSSA-N 1 2 367.424 2.973 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@H+]1Cc1ncc(-c2ccc(F)cc2)o1 ZINC001479706393 1062849338 /nfs/dbraw/zinc/84/93/38/1062849338.db2.gz NUJZBXLEKNZVKI-KDOFPFPSSA-N 1 2 367.424 2.973 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3)n2C)[C@@H]1C ZINC001479707576 1062853166 /nfs/dbraw/zinc/85/31/66/1062853166.db2.gz BQXVDESNIHPOKC-AEFFLSMTSA-N 1 2 367.497 2.917 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3)n2C)[C@@H]1C ZINC001479707576 1062853190 /nfs/dbraw/zinc/85/31/90/1062853190.db2.gz BQXVDESNIHPOKC-AEFFLSMTSA-N 1 2 367.497 2.917 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3ccco3)s2)[C@H]1C ZINC001479722725 1062930061 /nfs/dbraw/zinc/93/00/61/1062930061.db2.gz ACXXPTOALXWUJL-CABCVRRESA-N 1 2 358.463 2.851 20 30 FFEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(-c3ccco3)s2)[C@H]1C ZINC001479722725 1062930081 /nfs/dbraw/zinc/93/00/81/1062930081.db2.gz ACXXPTOALXWUJL-CABCVRRESA-N 1 2 358.463 2.851 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC12CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001493415463 1063156442 /nfs/dbraw/zinc/15/64/42/1063156442.db2.gz UPFFLWPERHYEBR-BFYDXBDKSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC12CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001493415463 1063156453 /nfs/dbraw/zinc/15/64/53/1063156453.db2.gz UPFFLWPERHYEBR-BFYDXBDKSA-N 1 2 370.497 2.613 20 30 FFEDLO CC[C@@H](C)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001495087504 1063440898 /nfs/dbraw/zinc/44/08/98/1063440898.db2.gz IGOSQNPRGHPXER-HUUCEWRRSA-N 1 2 355.490 2.897 20 30 FFEDLO N#Cc1cc(F)cc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC001467161142 1063655529 /nfs/dbraw/zinc/65/55/29/1063655529.db2.gz ZXUDXZCRUYOGHH-UHFFFAOYSA-N 1 2 368.412 2.926 20 30 FFEDLO N#Cc1ccc2c(c1)C[C@H](NC(=O)NCc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001468389576 1063977843 /nfs/dbraw/zinc/97/78/43/1063977843.db2.gz MSZZWWTYLRIMEK-LJQANCHMSA-N 1 2 357.417 2.711 20 30 FFEDLO O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(O)Cc1ccccc1Cl ZINC001472620084 1065113126 /nfs/dbraw/zinc/11/31/26/1065113126.db2.gz NYWOWPSVTSHCKT-SFHVURJKSA-N 1 2 360.841 2.959 20 30 FFEDLO O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(O)Cc1ccccc1Cl ZINC001472620084 1065113134 /nfs/dbraw/zinc/11/31/34/1065113134.db2.gz NYWOWPSVTSHCKT-SFHVURJKSA-N 1 2 360.841 2.959 20 30 FFEDLO Cc1nsc(N2CC[NH+](C[C@@H]3COC4(CCCCC4)O3)CC2)c1C#N ZINC001473516166 1065277394 /nfs/dbraw/zinc/27/73/94/1065277394.db2.gz HNHRIZDBLOQVDS-OAHLLOKOSA-N 1 2 362.499 2.521 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001582350808 1079042591 /nfs/dbraw/zinc/04/25/91/1079042591.db2.gz GIVNVTCBKDBVRM-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001582350808 1079042599 /nfs/dbraw/zinc/04/25/99/1079042599.db2.gz GIVNVTCBKDBVRM-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1ccccc1Oc1ccccc1C#N ZINC001557695370 1075875073 /nfs/dbraw/zinc/87/50/73/1075875073.db2.gz SBDBCALVOKOTEL-INIZCTEOSA-N 1 2 362.389 2.547 20 30 FFEDLO C[C@H]1C[N@H+](CCNc2cc(Br)c(C#N)cc2F)[C@@H](C)CO1 ZINC001559233487 1076137948 /nfs/dbraw/zinc/13/79/48/1076137948.db2.gz VLLGDYLAXFKXSG-QWRGUYRKSA-N 1 2 356.239 2.981 20 30 FFEDLO C[C@H]1C[N@@H+](CCNc2cc(Br)c(C#N)cc2F)[C@@H](C)CO1 ZINC001559233487 1076137951 /nfs/dbraw/zinc/13/79/51/1076137951.db2.gz VLLGDYLAXFKXSG-QWRGUYRKSA-N 1 2 356.239 2.981 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H]3COC[C@@]3(c3ccccc3)C2)c(C#N)c1C ZINC001560135423 1076232908 /nfs/dbraw/zinc/23/29/08/1076232908.db2.gz OVZINSZHTAXYTK-LAUBAEHRSA-N 1 2 365.433 2.607 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H]3COC[C@@]3(c3ccccc3)C2)c(C#N)c1C ZINC001560135423 1076232912 /nfs/dbraw/zinc/23/29/12/1076232912.db2.gz OVZINSZHTAXYTK-LAUBAEHRSA-N 1 2 365.433 2.607 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCc1ccc2c(c1)OCO2 ZINC001560148465 1076237002 /nfs/dbraw/zinc/23/70/02/1076237002.db2.gz VMPRMBUWJBYXGU-IBGZPJMESA-N 1 2 352.390 2.676 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccc2c(c1)OCO2 ZINC001560148465 1076237004 /nfs/dbraw/zinc/23/70/04/1076237004.db2.gz VMPRMBUWJBYXGU-IBGZPJMESA-N 1 2 352.390 2.676 20 30 FFEDLO C=CCC[C@H]([NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)C(=O)OCC ZINC001560837344 1076303594 /nfs/dbraw/zinc/30/35/94/1076303594.db2.gz OSFNWGBIYVWSBU-DOXZYTNZSA-N 1 2 352.475 2.731 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(C)no2)C[C@H]1c1ccccc1 ZINC001565883033 1076777074 /nfs/dbraw/zinc/77/70/74/1076777074.db2.gz VJUKWKOUJXPCTG-RBUKOAKNSA-N 1 2 366.465 2.656 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2nc(C)no2)C[C@H]1c1ccccc1 ZINC001565883033 1076777077 /nfs/dbraw/zinc/77/70/77/1076777077.db2.gz VJUKWKOUJXPCTG-RBUKOAKNSA-N 1 2 366.465 2.656 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(C2CC2)no1 ZINC001565970752 1076819252 /nfs/dbraw/zinc/81/92/52/1076819252.db2.gz JSCBSIKLFQCKHF-WBVHZDCISA-N 1 2 358.486 2.857 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)[C@@H]1C ZINC001566088911 1076893381 /nfs/dbraw/zinc/89/33/81/1076893381.db2.gz UXSHRSQTXKMKFJ-IGCXYCKISA-N 1 2 352.837 2.596 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)[C@@H]1C ZINC001566088911 1076893388 /nfs/dbraw/zinc/89/33/88/1076893388.db2.gz UXSHRSQTXKMKFJ-IGCXYCKISA-N 1 2 352.837 2.596 20 30 FFEDLO C=C(C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3[nH+]ccn31)C2 ZINC001574517506 1078007657 /nfs/dbraw/zinc/00/76/57/1078007657.db2.gz ZPJXTTHLKOZTOE-OAGGEKHMSA-N 1 2 352.438 2.552 20 30 FFEDLO CCCC[C@@H](ON=C(C)C)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001586520284 1079644721 /nfs/dbraw/zinc/64/47/21/1079644721.db2.gz SBCREVHKILOTNB-LJQANCHMSA-N 1 2 360.502 2.740 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CC2(CCOCC)CC2)CC1 ZINC001588742477 1080178607 /nfs/dbraw/zinc/17/86/07/1080178607.db2.gz RRGHGUYEQCMLAR-SFHVURJKSA-N 1 2 373.545 2.754 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CCC2(COC)CCCC2)CC1 ZINC001588806108 1080204257 /nfs/dbraw/zinc/20/42/57/1080204257.db2.gz GVPFJHDXFBCVAS-UHFFFAOYSA-N 1 2 371.529 2.508 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(CC)CCC2)CC1 ZINC001588811319 1080205303 /nfs/dbraw/zinc/20/53/03/1080205303.db2.gz GHVXTCRYYZFUPT-SFHVURJKSA-N 1 2 371.529 2.855 20 30 FFEDLO Cc1cc(=NC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)[nH]n1CCC#N ZINC000537511911 540737344 /nfs/dbraw/zinc/73/73/44/540737344.db2.gz BWOAZDPCKTYIDS-UHFFFAOYSA-N 1 2 369.351 2.528 20 30 FFEDLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC(C)(C)C#N ZINC000449238225 514126370 /nfs/dbraw/zinc/12/63/70/514126370.db2.gz FSOJBAYKZYNYNR-NSHDSACASA-N 1 2 368.275 2.602 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000153143242 251106237 /nfs/dbraw/zinc/10/62/37/251106237.db2.gz UUMUNPXOPKZFDA-UHFFFAOYSA-N 1 2 374.872 2.627 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccnc(Cl)c3)CC2)cc1 ZINC000272413741 252032631 /nfs/dbraw/zinc/03/26/31/252032631.db2.gz WRRSEPCCORRIOX-UHFFFAOYSA-N 1 2 355.829 2.956 20 30 FFEDLO CC[N@H+](Cc1nnnn1CC1CCOCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000277649095 256221836 /nfs/dbraw/zinc/22/18/36/256221836.db2.gz IEBLRWNTBVVYOJ-HNNXBMFYSA-N 1 2 354.458 2.554 20 30 FFEDLO CC[N@@H+](Cc1nnnn1CC1CCOCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000277649095 256221837 /nfs/dbraw/zinc/22/18/37/256221837.db2.gz IEBLRWNTBVVYOJ-HNNXBMFYSA-N 1 2 354.458 2.554 20 30 FFEDLO Cc1cn2cc(NC(=O)C3CCN(c4oc(C)nc4C#N)CC3)ccc2[nH+]1 ZINC000280194227 256490853 /nfs/dbraw/zinc/49/08/53/256490853.db2.gz HMGGLDIGKVSQJO-UHFFFAOYSA-N 1 2 364.409 2.666 20 30 FFEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1cc(C#N)ccc1Br ZINC000286176417 257023875 /nfs/dbraw/zinc/02/38/75/257023875.db2.gz WZRCJXOHZMJUBT-XJKSGUPXSA-N 1 2 364.287 2.616 20 30 FFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1ccc(C#N)cc1Br ZINC000286178628 257024352 /nfs/dbraw/zinc/02/43/52/257024352.db2.gz XAHVGEYKQPFBCI-CZUORRHYSA-N 1 2 364.287 2.616 20 30 FFEDLO CC(C)[C@@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1[nH]cc[nH+]1 ZINC000288313318 257173898 /nfs/dbraw/zinc/17/38/98/257173898.db2.gz ZEOBWUOIDRUFLS-RHSMWYFYSA-N 1 2 355.417 2.760 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](c3ccncc3)C2)cc1 ZINC000289345356 257275810 /nfs/dbraw/zinc/27/58/10/257275810.db2.gz MKMZQYURNFAVSX-SFHVURJKSA-N 1 2 355.463 2.607 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](c3ccncc3)C2)cc1 ZINC000289345356 257275811 /nfs/dbraw/zinc/27/58/11/257275811.db2.gz MKMZQYURNFAVSX-SFHVURJKSA-N 1 2 355.463 2.607 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc(OC)c1O ZINC000288997586 257245715 /nfs/dbraw/zinc/24/57/15/257245715.db2.gz DSXGVTQFBDAPIH-UHFFFAOYSA-N 1 2 353.422 2.603 20 30 FFEDLO C[C@H](O)c1ncc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000289029691 257249174 /nfs/dbraw/zinc/24/91/74/257249174.db2.gz GVJARUZTZGGZOP-HNNXBMFYSA-N 1 2 356.495 2.776 20 30 FFEDLO C[C@H](O)c1ncc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000289029691 257249176 /nfs/dbraw/zinc/24/91/76/257249176.db2.gz GVJARUZTZGGZOP-HNNXBMFYSA-N 1 2 356.495 2.776 20 30 FFEDLO Cc1nc(C#N)c(N2CCC(c3nc(Cc4ccc(C)[nH+]c4)no3)CC2)o1 ZINC000289111998 257257634 /nfs/dbraw/zinc/25/76/34/257257634.db2.gz LMTFHMHVGTXKTK-UHFFFAOYSA-N 1 2 364.409 2.916 20 30 FFEDLO CC(C)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1[nH]cc[nH+]1 ZINC000295822993 257648661 /nfs/dbraw/zinc/64/86/61/257648661.db2.gz CHHCGUXVSWMOKC-CYBMUJFWSA-N 1 2 372.372 2.976 20 30 FFEDLO N#Cc1cc(N2CCN(c3cccc[nH+]3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301327625 258042671 /nfs/dbraw/zinc/04/26/71/258042671.db2.gz BWWZYXWQRHUBSV-UHFFFAOYSA-N 1 2 360.377 2.736 20 30 FFEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000302174915 258092949 /nfs/dbraw/zinc/09/29/49/258092949.db2.gz WOEFSKDNDBEKIZ-UHFFFAOYSA-N 1 2 362.412 2.979 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@]2(CCCOC2)O1 ZINC000330102258 258155242 /nfs/dbraw/zinc/15/52/42/258155242.db2.gz GAVZLKBTFOHVDA-ACJLOTCBSA-N 1 2 352.381 2.930 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@]2(CCCOC2)O1 ZINC000330102258 258155243 /nfs/dbraw/zinc/15/52/43/258155243.db2.gz GAVZLKBTFOHVDA-ACJLOTCBSA-N 1 2 352.381 2.930 20 30 FFEDLO Cc1c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cnn1C(C)C ZINC000330637618 258167042 /nfs/dbraw/zinc/16/70/42/258167042.db2.gz ODYYJKJXNLWHGC-UHFFFAOYSA-N 1 2 351.454 2.602 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3ccnn3C)C2)c(C#N)c1C ZINC000331497886 258188527 /nfs/dbraw/zinc/18/85/27/258188527.db2.gz QHGKCRZDYSFAKX-HIFRSBDPSA-N 1 2 355.442 2.708 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3ccnn3C)C2)c(C#N)c1C ZINC000331497886 258188528 /nfs/dbraw/zinc/18/85/28/258188528.db2.gz QHGKCRZDYSFAKX-HIFRSBDPSA-N 1 2 355.442 2.708 20 30 FFEDLO CCc1noc(C)c1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000332252990 258221473 /nfs/dbraw/zinc/22/14/73/258221473.db2.gz DJSFKIBMMOKEMV-UHFFFAOYSA-N 1 2 353.426 2.767 20 30 FFEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(C#N)cc3OC(F)F)[C@@H]2C1 ZINC000332249629 258221498 /nfs/dbraw/zinc/22/14/98/258221498.db2.gz XMDUDAIWSGQUFN-BZUAXINKSA-N 1 2 352.381 2.928 20 30 FFEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(C#N)cc3OC(F)F)[C@@H]2C1 ZINC000332249629 258221499 /nfs/dbraw/zinc/22/14/99/258221499.db2.gz XMDUDAIWSGQUFN-BZUAXINKSA-N 1 2 352.381 2.928 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC3CCC(F)(F)CC3)CC2)cc1 ZINC000332508399 258232866 /nfs/dbraw/zinc/23/28/66/258232866.db2.gz CIDQNHXUCNXTFE-UHFFFAOYSA-N 1 2 362.424 2.963 20 30 FFEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOCC34CC4)sc2C1 ZINC000333205656 258256237 /nfs/dbraw/zinc/25/62/37/258256237.db2.gz YVYVBEVFDYJPFX-CYBMUJFWSA-N 1 2 359.495 2.938 20 30 FFEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCOCC34CC4)sc2C1 ZINC000333205656 258256238 /nfs/dbraw/zinc/25/62/38/258256238.db2.gz YVYVBEVFDYJPFX-CYBMUJFWSA-N 1 2 359.495 2.938 20 30 FFEDLO C[C@@H]1C[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)c2[nH+]ccn21 ZINC000333237693 258257590 /nfs/dbraw/zinc/25/75/90/258257590.db2.gz ZGYOOTKJBQXABZ-WBVHZDCISA-N 1 2 364.453 2.682 20 30 FFEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000115674901 132247440 /nfs/dbraw/zinc/24/74/40/132247440.db2.gz WHFGIHLHESXUNA-HNNXBMFYSA-N 1 2 367.428 2.550 20 30 FFEDLO Cc1cc(C)cc(C[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000034887264 506372630 /nfs/dbraw/zinc/37/26/30/506372630.db2.gz MMMPNKRWFFTMKL-UHFFFAOYSA-N 1 2 369.490 2.682 20 30 FFEDLO COc1cccc([C@@H](NC(=O)c2ccc(F)c(C#N)c2)c2[nH+]ccn2C)c1 ZINC000375187697 512203104 /nfs/dbraw/zinc/20/31/04/512203104.db2.gz KGFUODBIQPPMMM-GOSISDBHSA-N 1 2 364.380 2.959 20 30 FFEDLO C=CCN(CC=C)C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000371074421 512205213 /nfs/dbraw/zinc/20/52/13/512205213.db2.gz IOZXOXVQULXFCW-UHFFFAOYSA-N 1 2 362.433 2.741 20 30 FFEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)Cn2cc[nH+]c2)c1C#N ZINC000053898736 506460763 /nfs/dbraw/zinc/46/07/63/506460763.db2.gz DGDRDLFZUFBOKL-UHFFFAOYSA-N 1 2 351.385 2.999 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)C[C@@H](C)C#N ZINC000066424386 506514004 /nfs/dbraw/zinc/51/40/04/506514004.db2.gz SOSZRBDTDALKEK-FUHWJXTLSA-N 1 2 371.481 2.993 20 30 FFEDLO CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)C[C@@H](C)C#N ZINC000066424386 506514009 /nfs/dbraw/zinc/51/40/09/506514009.db2.gz SOSZRBDTDALKEK-FUHWJXTLSA-N 1 2 371.481 2.993 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000044741651 506882207 /nfs/dbraw/zinc/88/22/07/506882207.db2.gz AIKCUXAHIXXEKS-JKSUJKDBSA-N 1 2 362.905 2.779 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000044741651 506882212 /nfs/dbraw/zinc/88/22/12/506882212.db2.gz AIKCUXAHIXXEKS-JKSUJKDBSA-N 1 2 362.905 2.779 20 30 FFEDLO C[C@H](C1CC1)N(C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)C1CC1 ZINC000367056753 512316783 /nfs/dbraw/zinc/31/67/83/512316783.db2.gz BNHNWXHRMJXJBA-MRXNPFEDSA-N 1 2 352.482 2.728 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1C#N ZINC000068116746 507118704 /nfs/dbraw/zinc/11/87/04/507118704.db2.gz OSUQJGAFVCEHKX-KZULUSFZSA-N 1 2 362.499 2.621 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)COc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000018236092 507146047 /nfs/dbraw/zinc/14/60/47/507146047.db2.gz UWVDNAZKWIOJSS-LJQANCHMSA-N 1 2 364.380 2.715 20 30 FFEDLO Cc1ccc([C@@H](CNC(=O)C2(C#N)CCCCC2)[NH+]2CCOCC2)cc1 ZINC000057396848 507255752 /nfs/dbraw/zinc/25/57/52/507255752.db2.gz ABTFTSMQWBRCAP-LJQANCHMSA-N 1 2 355.482 2.959 20 30 FFEDLO COc1ccc([C@H](C/N=C/c2cccc(O)c2O)[NH+]2CCOCC2)cc1 ZINC000022728691 507305146 /nfs/dbraw/zinc/30/51/46/507305146.db2.gz MXECHNAMILETEU-LANLRWRYSA-N 1 2 356.422 2.599 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022811845 507313941 /nfs/dbraw/zinc/31/39/41/507313941.db2.gz JAQPEIVWAIARFY-KRWDZBQOSA-N 1 2 373.460 2.575 20 30 FFEDLO CC(=O)c1ccccc1OCC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023257594 507343419 /nfs/dbraw/zinc/34/34/19/507343419.db2.gz XPQBZLOOCMNFOH-UHFFFAOYSA-N 1 2 363.461 2.957 20 30 FFEDLO CC(=O)c1ccccc1OCCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023257594 507343422 /nfs/dbraw/zinc/34/34/22/507343422.db2.gz XPQBZLOOCMNFOH-UHFFFAOYSA-N 1 2 363.461 2.957 20 30 FFEDLO CCc1ccccc1NC(=O)CN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000023298979 507344857 /nfs/dbraw/zinc/34/48/57/507344857.db2.gz MWEYCEFNICQJDE-UHFFFAOYSA-N 1 2 362.477 2.877 20 30 FFEDLO Cc1cc(OCC(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1C(C)C ZINC000060634179 507570291 /nfs/dbraw/zinc/57/02/91/507570291.db2.gz BAFFIEUZPKSRFO-UHFFFAOYSA-N 1 2 373.497 2.572 20 30 FFEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000410719346 512349301 /nfs/dbraw/zinc/34/93/01/512349301.db2.gz YOTORKUPCHKSDS-UHFFFAOYSA-N 1 2 366.465 2.721 20 30 FFEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000410719346 512349304 /nfs/dbraw/zinc/34/93/04/512349304.db2.gz YOTORKUPCHKSDS-UHFFFAOYSA-N 1 2 366.465 2.721 20 30 FFEDLO C=CC[N@@H+](CC(=O)NCc1ccc(OC)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297912 507713860 /nfs/dbraw/zinc/71/38/60/507713860.db2.gz FDLIGGOMSCKSOT-UHFFFAOYSA-N 1 2 369.421 2.908 20 30 FFEDLO C=CC[N@H+](CC(=O)NCc1ccc(OC)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297912 507713864 /nfs/dbraw/zinc/71/38/64/507713864.db2.gz FDLIGGOMSCKSOT-UHFFFAOYSA-N 1 2 369.421 2.908 20 30 FFEDLO C=CCc1cc(CNC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc(OC)c1OC ZINC000051278667 507757016 /nfs/dbraw/zinc/75/70/16/507757016.db2.gz MIGYIVWOCFQKGZ-AWEZNQCLSA-N 1 2 358.442 2.517 20 30 FFEDLO COc1ccc(F)cc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000029226094 507769601 /nfs/dbraw/zinc/76/96/01/507769601.db2.gz AOPUTQMWHWCUEB-UHFFFAOYSA-N 1 2 356.401 2.894 20 30 FFEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(Br)o1 ZINC000030215278 507803750 /nfs/dbraw/zinc/80/37/50/507803750.db2.gz ZJJIJRMLOBBGLX-UHFFFAOYSA-N 1 2 354.248 2.817 20 30 FFEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(Br)o1 ZINC000030215278 507803753 /nfs/dbraw/zinc/80/37/53/507803753.db2.gz ZJJIJRMLOBBGLX-UHFFFAOYSA-N 1 2 354.248 2.817 20 30 FFEDLO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccco1 ZINC000030276999 507805153 /nfs/dbraw/zinc/80/51/53/507805153.db2.gz NSKKVMHKOVKQSA-UHFFFAOYSA-N 1 2 350.340 2.898 20 30 FFEDLO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccco1 ZINC000030276999 507805155 /nfs/dbraw/zinc/80/51/55/507805155.db2.gz NSKKVMHKOVKQSA-UHFFFAOYSA-N 1 2 350.340 2.898 20 30 FFEDLO CCOC(=O)c1ccc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)nc1 ZINC000031558364 507820356 /nfs/dbraw/zinc/82/03/56/507820356.db2.gz SBHIUUJCRWBHQK-UHFFFAOYSA-N 1 2 368.412 2.591 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2COc3ccccc3O2)c(C#N)c1C ZINC000072556030 507823536 /nfs/dbraw/zinc/82/35/36/507823536.db2.gz TUCVOXAGFQRSNV-DZGCQCFKSA-N 1 2 369.421 2.867 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2COc3ccccc3O2)c(C#N)c1C ZINC000072556030 507823539 /nfs/dbraw/zinc/82/35/39/507823539.db2.gz TUCVOXAGFQRSNV-DZGCQCFKSA-N 1 2 369.421 2.867 20 30 FFEDLO C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078615992 507889651 /nfs/dbraw/zinc/88/96/51/507889651.db2.gz QXBHBGPATMUDLR-RXVVDRJESA-N 1 2 362.477 2.920 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)c1C ZINC000073157402 507899696 /nfs/dbraw/zinc/89/96/96/507899696.db2.gz KSDJIRLHGKYRQW-UHFFFAOYSA-N 1 2 357.498 2.808 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCCC3(C2)OCCO3)c1 ZINC000090561238 507927875 /nfs/dbraw/zinc/92/78/75/507927875.db2.gz NJTAHUCNVBGLPA-GOSISDBHSA-N 1 2 371.481 2.778 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCCC3(C2)OCCO3)c1 ZINC000090561238 507927878 /nfs/dbraw/zinc/92/78/78/507927878.db2.gz NJTAHUCNVBGLPA-GOSISDBHSA-N 1 2 371.481 2.778 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1C#N ZINC000091068351 507949027 /nfs/dbraw/zinc/94/90/27/507949027.db2.gz QWBCFJMQIGSJHB-INIZCTEOSA-N 1 2 351.454 2.530 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c1C#N ZINC000091068351 507949030 /nfs/dbraw/zinc/94/90/30/507949030.db2.gz QWBCFJMQIGSJHB-INIZCTEOSA-N 1 2 351.454 2.530 20 30 FFEDLO CC[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109818042 507990377 /nfs/dbraw/zinc/99/03/77/507990377.db2.gz NDXBWVWRECEQHC-LJQANCHMSA-N 1 2 362.433 2.624 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109818042 507990379 /nfs/dbraw/zinc/99/03/79/507990379.db2.gz NDXBWVWRECEQHC-LJQANCHMSA-N 1 2 362.433 2.624 20 30 FFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000091980916 508029582 /nfs/dbraw/zinc/02/95/82/508029582.db2.gz GWISMYNYDYQCGA-FOIQADDNSA-N 1 2 366.440 2.603 20 30 FFEDLO C=CC[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000092361130 508064016 /nfs/dbraw/zinc/06/40/16/508064016.db2.gz GWGXWESLGYDMJJ-ZDUSSCGKSA-N 1 2 367.421 2.530 20 30 FFEDLO C=CC[N@H+](Cc1c[nH]nc1-c1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000092361130 508064018 /nfs/dbraw/zinc/06/40/18/508064018.db2.gz GWGXWESLGYDMJJ-ZDUSSCGKSA-N 1 2 367.421 2.530 20 30 FFEDLO COc1ccc(C[N@H+](CCO)Cc2cn3ccccc3c2C#N)c(OC)c1 ZINC000111322050 508090443 /nfs/dbraw/zinc/09/04/43/508090443.db2.gz SQVXPYCLHDTEGT-UHFFFAOYSA-N 1 2 365.433 2.823 20 30 FFEDLO COc1ccc(C[N@@H+](CCO)Cc2cn3ccccc3c2C#N)c(OC)c1 ZINC000111322050 508090446 /nfs/dbraw/zinc/09/04/46/508090446.db2.gz SQVXPYCLHDTEGT-UHFFFAOYSA-N 1 2 365.433 2.823 20 30 FFEDLO N#CCCCS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000111351384 508092508 /nfs/dbraw/zinc/09/25/08/508092508.db2.gz YZAVEZHWIPRHAT-HNNXBMFYSA-N 1 2 373.881 2.667 20 30 FFEDLO N#CCCCS(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000111351384 508092510 /nfs/dbraw/zinc/09/25/10/508092510.db2.gz YZAVEZHWIPRHAT-HNNXBMFYSA-N 1 2 373.881 2.667 20 30 FFEDLO C=CCOc1ccccc1CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000111515005 508105654 /nfs/dbraw/zinc/10/56/54/508105654.db2.gz XEAXWRSPWRZVPK-UHFFFAOYSA-N 1 2 366.465 2.674 20 30 FFEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000080905629 508110295 /nfs/dbraw/zinc/11/02/95/508110295.db2.gz RYBQLWVTKXPKLA-GGPKGHCWSA-N 1 2 354.498 2.658 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1 ZINC000081275646 508154461 /nfs/dbraw/zinc/15/44/61/508154461.db2.gz MIRXTKOHOIUJFC-LJQANCHMSA-N 1 2 364.449 2.601 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1 ZINC000081275646 508154464 /nfs/dbraw/zinc/15/44/64/508154464.db2.gz MIRXTKOHOIUJFC-LJQANCHMSA-N 1 2 364.449 2.601 20 30 FFEDLO COc1cc(OC)cc(N2CC[C@H]([N@H+](C)Cc3ccccc3C#N)C2=O)c1 ZINC000081518748 508184285 /nfs/dbraw/zinc/18/42/85/508184285.db2.gz UBGTZVVTDBZJDE-FQEVSTJZSA-N 1 2 365.433 2.813 20 30 FFEDLO COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)Cc3ccccc3C#N)C2=O)c1 ZINC000081518748 508184287 /nfs/dbraw/zinc/18/42/87/508184287.db2.gz UBGTZVVTDBZJDE-FQEVSTJZSA-N 1 2 365.433 2.813 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](CCC#N)CC2CC2)cc1OC ZINC000081514698 508184630 /nfs/dbraw/zinc/18/46/30/508184630.db2.gz ULKSMQALXQZJJR-SFHVURJKSA-N 1 2 371.481 2.993 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](CCC#N)CC2CC2)cc1OC ZINC000081514698 508184633 /nfs/dbraw/zinc/18/46/33/508184633.db2.gz ULKSMQALXQZJJR-SFHVURJKSA-N 1 2 371.481 2.993 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c(C#N)c1C ZINC000112700925 508211769 /nfs/dbraw/zinc/21/17/69/508211769.db2.gz RSWNMWVBGQFDBL-OAHLLOKOSA-N 1 2 374.485 2.581 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c(C#N)c1C ZINC000112700925 508211772 /nfs/dbraw/zinc/21/17/72/508211772.db2.gz RSWNMWVBGQFDBL-OAHLLOKOSA-N 1 2 374.485 2.581 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CCN1CCCC1=O ZINC000112703869 508212799 /nfs/dbraw/zinc/21/27/99/508212799.db2.gz CCSWDISKYKPOFR-OAHLLOKOSA-N 1 2 374.510 2.574 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CCN1CCCC1=O ZINC000112703869 508212802 /nfs/dbraw/zinc/21/28/02/508212802.db2.gz CCSWDISKYKPOFR-OAHLLOKOSA-N 1 2 374.510 2.574 20 30 FFEDLO N#Cc1ccc(NCC(=O)NCc2[nH+]ccn2CCc2ccccc2)cc1 ZINC000081929889 508218728 /nfs/dbraw/zinc/21/87/28/508218728.db2.gz ZRKKZVIZUKLVEC-UHFFFAOYSA-N 1 2 359.433 2.726 20 30 FFEDLO COc1ccc(C[N@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)cc1O ZINC000083206540 508240903 /nfs/dbraw/zinc/24/09/03/508240903.db2.gz RBDWVQKUARPKFI-CQSZACIVSA-N 1 2 357.435 2.571 20 30 FFEDLO COc1ccc(C[N@@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)cc1O ZINC000083206540 508240905 /nfs/dbraw/zinc/24/09/05/508240905.db2.gz RBDWVQKUARPKFI-CQSZACIVSA-N 1 2 357.435 2.571 20 30 FFEDLO C[C@@H](NC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1)c1cccs1 ZINC000101554818 508246478 /nfs/dbraw/zinc/24/64/78/508246478.db2.gz OLJYMFWDVLNJOM-OAHLLOKOSA-N 1 2 354.479 2.619 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000076855027 508258737 /nfs/dbraw/zinc/25/87/37/508258737.db2.gz XBEFECYPUCMCGZ-QGZVFWFLSA-N 1 2 369.490 2.594 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000076855027 508258740 /nfs/dbraw/zinc/25/87/40/508258740.db2.gz XBEFECYPUCMCGZ-QGZVFWFLSA-N 1 2 369.490 2.594 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(C#N)nc2)C[C@H](C)O1 ZINC000115033152 508366019 /nfs/dbraw/zinc/36/60/19/508366019.db2.gz BBPDWWJYXAZQAT-GASCZTMLSA-N 1 2 350.422 2.815 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(C#N)nc2)C[C@H](C)O1 ZINC000115033152 508366020 /nfs/dbraw/zinc/36/60/20/508366020.db2.gz BBPDWWJYXAZQAT-GASCZTMLSA-N 1 2 350.422 2.815 20 30 FFEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(C#N)nc2)C[C@H](C)O1 ZINC000115033154 508366127 /nfs/dbraw/zinc/36/61/27/508366127.db2.gz BBPDWWJYXAZQAT-GJZGRUSLSA-N 1 2 350.422 2.815 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152261392 508411529 /nfs/dbraw/zinc/41/15/29/508411529.db2.gz KXIAFOMWDXVBEU-CJNGLKHVSA-N 1 2 364.453 2.760 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152261392 508411532 /nfs/dbraw/zinc/41/15/32/508411532.db2.gz KXIAFOMWDXVBEU-CJNGLKHVSA-N 1 2 364.453 2.760 20 30 FFEDLO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000127459212 508453682 /nfs/dbraw/zinc/45/36/82/508453682.db2.gz MOCIDMKJGPJHBC-HNNXBMFYSA-N 1 2 360.421 2.770 20 30 FFEDLO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000127459212 508453685 /nfs/dbraw/zinc/45/36/85/508453685.db2.gz MOCIDMKJGPJHBC-HNNXBMFYSA-N 1 2 360.421 2.770 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1nnc(-c2ccco2)o1)Cc1ccc(OC)cc1 ZINC000152898076 508528914 /nfs/dbraw/zinc/52/89/14/508528914.db2.gz QRMTWGHCUWRMDA-UHFFFAOYSA-N 1 2 368.393 2.965 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1nnc(-c2ccco2)o1)Cc1ccc(OC)cc1 ZINC000152898076 508528917 /nfs/dbraw/zinc/52/89/17/508528917.db2.gz QRMTWGHCUWRMDA-UHFFFAOYSA-N 1 2 368.393 2.965 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000128480160 508598937 /nfs/dbraw/zinc/59/89/37/508598937.db2.gz DLEXIULEIASEEB-YJBOKZPZSA-N 1 2 355.825 2.891 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000128480160 508598940 /nfs/dbraw/zinc/59/89/40/508598940.db2.gz DLEXIULEIASEEB-YJBOKZPZSA-N 1 2 355.825 2.891 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000117747427 508616791 /nfs/dbraw/zinc/61/67/91/508616791.db2.gz MFZNKFBYLDAORI-OAQYLSRUSA-N 1 2 371.444 2.895 20 30 FFEDLO N#CCCn1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)n1 ZINC000117855972 508621305 /nfs/dbraw/zinc/62/13/05/508621305.db2.gz ZMFBGNRRJBCQSW-KRWDZBQOSA-N 1 2 355.467 2.525 20 30 FFEDLO C=CCNc1ncc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)s1 ZINC000136125852 508672518 /nfs/dbraw/zinc/67/25/18/508672518.db2.gz FALRVNUXALULQF-UHFFFAOYSA-N 1 2 367.478 2.958 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000118836706 508681898 /nfs/dbraw/zinc/68/18/98/508681898.db2.gz WPYSJMWMBYEWEJ-SJORKVTESA-N 1 2 363.465 2.659 20 30 FFEDLO Cc1ccccc1[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000136298717 508685126 /nfs/dbraw/zinc/68/51/26/508685126.db2.gz DJBZFXIIHQALHR-KRWDZBQOSA-N 1 2 369.490 2.934 20 30 FFEDLO C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000154036560 508703657 /nfs/dbraw/zinc/70/36/57/508703657.db2.gz WDUVAFAKLRLIFX-SFHVURJKSA-N 1 2 362.433 2.820 20 30 FFEDLO C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000154036560 508703661 /nfs/dbraw/zinc/70/36/61/508703661.db2.gz WDUVAFAKLRLIFX-SFHVURJKSA-N 1 2 362.433 2.820 20 30 FFEDLO O=C(C[NH+]1CCN(CC#Cc2cccc(Cl)c2)CC1)NC1CCCCC1 ZINC000119085467 508722168 /nfs/dbraw/zinc/72/21/68/508722168.db2.gz JECVVDATBHVXQC-UHFFFAOYSA-N 1 2 373.928 2.758 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c(C#N)c1C ZINC000129483704 508731531 /nfs/dbraw/zinc/73/15/31/508731531.db2.gz CNBLKGSXQJUESJ-BLLLJJGKSA-N 1 2 357.483 2.955 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c(C#N)c1C ZINC000129483704 508731536 /nfs/dbraw/zinc/73/15/36/508731536.db2.gz CNBLKGSXQJUESJ-BLLLJJGKSA-N 1 2 357.483 2.955 20 30 FFEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000124663445 508865768 /nfs/dbraw/zinc/86/57/68/508865768.db2.gz LSFGQPOISYQBQH-UHFFFAOYSA-N 1 2 367.449 2.613 20 30 FFEDLO Cc1cc(NC(=O)c2c(F)cc(C#N)cc2F)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000150696253 508877907 /nfs/dbraw/zinc/87/79/07/508877907.db2.gz NNRPBTINAXBWGB-UHFFFAOYSA-N 1 2 368.347 2.990 20 30 FFEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000155266022 508961773 /nfs/dbraw/zinc/96/17/73/508961773.db2.gz PAJVPKTZWSIPHT-HNDBUQABSA-N 1 2 360.502 2.651 20 30 FFEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000155266022 508961777 /nfs/dbraw/zinc/96/17/77/508961777.db2.gz PAJVPKTZWSIPHT-HNDBUQABSA-N 1 2 360.502 2.651 20 30 FFEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000151197190 508976293 /nfs/dbraw/zinc/97/62/93/508976293.db2.gz AFDFALSKWIOJEU-UHFFFAOYSA-N 1 2 364.449 2.896 20 30 FFEDLO CN(C)C(=O)COc1ccccc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000155413127 508995162 /nfs/dbraw/zinc/99/51/62/508995162.db2.gz SXUMBTKJUPDQFF-UHFFFAOYSA-N 1 2 355.413 2.796 20 30 FFEDLO CN(C)C(=O)COc1ccccc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000155413127 508995165 /nfs/dbraw/zinc/99/51/65/508995165.db2.gz SXUMBTKJUPDQFF-UHFFFAOYSA-N 1 2 355.413 2.796 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N(C)c1cccc(C#N)c1)CC2 ZINC000151304102 508996402 /nfs/dbraw/zinc/99/64/02/508996402.db2.gz VAEWFDANMVQNJS-UHFFFAOYSA-N 1 2 365.433 2.597 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N(C)c1cccc(C#N)c1)CC2 ZINC000151304102 508996405 /nfs/dbraw/zinc/99/64/05/508996405.db2.gz VAEWFDANMVQNJS-UHFFFAOYSA-N 1 2 365.433 2.597 20 30 FFEDLO N#Cc1cc(F)c(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(F)c1 ZINC000151466812 509022464 /nfs/dbraw/zinc/02/24/64/509022464.db2.gz XDOXEUQGPLTRCR-UHFFFAOYSA-N 1 2 357.360 2.921 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000155623872 509040483 /nfs/dbraw/zinc/04/04/83/509040483.db2.gz ISBRJZAUBLAYHI-HNNXBMFYSA-N 1 2 351.841 2.564 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000155623872 509040485 /nfs/dbraw/zinc/04/04/85/509040485.db2.gz ISBRJZAUBLAYHI-HNNXBMFYSA-N 1 2 351.841 2.564 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CCCC1(C)C ZINC000411000635 512434035 /nfs/dbraw/zinc/43/40/35/512434035.db2.gz DCTLUXBNGSQXDD-BZSNNMDCSA-N 1 2 372.513 2.886 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CCCC1(C)C ZINC000411000663 512434319 /nfs/dbraw/zinc/43/43/19/512434319.db2.gz DCTLUXBNGSQXDD-KSZLIROESA-N 1 2 372.513 2.886 20 30 FFEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000120797431 509066635 /nfs/dbraw/zinc/06/66/35/509066635.db2.gz YFQGDENURNWPQB-UHFFFAOYSA-N 1 2 372.387 2.674 20 30 FFEDLO C#CCOc1ccc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000151757766 509077832 /nfs/dbraw/zinc/07/78/32/509077832.db2.gz OVZHFRBMLWTTMZ-UHFFFAOYSA-N 1 2 350.418 2.783 20 30 FFEDLO Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000120928933 509090509 /nfs/dbraw/zinc/09/05/09/509090509.db2.gz JYNVQGHZGWHEAI-GOSISDBHSA-N 1 2 363.461 2.978 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161662592 509140529 /nfs/dbraw/zinc/14/05/29/509140529.db2.gz GXNBOKINGNLKJW-ABAIWWIYSA-N 1 2 355.360 2.520 20 30 FFEDLO CC(C)C1CC[NH+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000266779455 509189837 /nfs/dbraw/zinc/18/98/37/509189837.db2.gz ZIOIXDBNDWSCNU-MRXNPFEDSA-N 1 2 352.438 2.880 20 30 FFEDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000182418193 509227732 /nfs/dbraw/zinc/22/77/32/509227732.db2.gz AJOZXDWLBLEEPP-UHFFFAOYSA-N 1 2 352.847 2.543 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1F ZINC000191923423 509248144 /nfs/dbraw/zinc/24/81/44/509248144.db2.gz PWVALGZWQMXAPG-UHFFFAOYSA-N 1 2 370.403 2.593 20 30 FFEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000267004468 509303868 /nfs/dbraw/zinc/30/38/68/509303868.db2.gz JCWCGJRFBKINIM-LLVKDONJSA-N 1 2 364.414 2.533 20 30 FFEDLO C[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]1CO ZINC000162923504 509320190 /nfs/dbraw/zinc/32/01/90/509320190.db2.gz RBUUOOKKBSSYCE-CZUORRHYSA-N 1 2 361.511 2.920 20 30 FFEDLO C[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]1CO ZINC000162923504 509320197 /nfs/dbraw/zinc/32/01/97/509320197.db2.gz RBUUOOKKBSSYCE-CZUORRHYSA-N 1 2 361.511 2.920 20 30 FFEDLO COc1cccc2c1CC[N@@H+]([C@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000182703591 509381919 /nfs/dbraw/zinc/38/19/19/509381919.db2.gz QLDYCLCWQCDNCW-INIZCTEOSA-N 1 2 353.447 2.792 20 30 FFEDLO COc1cccc2c1CC[N@H+]([C@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000182703591 509381924 /nfs/dbraw/zinc/38/19/24/509381924.db2.gz QLDYCLCWQCDNCW-INIZCTEOSA-N 1 2 353.447 2.792 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179513933 509489067 /nfs/dbraw/zinc/48/90/67/509489067.db2.gz ZVEKDGGCLLFFEJ-ZBFHGGJFSA-N 1 2 370.501 2.593 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179513933 509489073 /nfs/dbraw/zinc/48/90/73/509489073.db2.gz ZVEKDGGCLLFFEJ-ZBFHGGJFSA-N 1 2 370.501 2.593 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)ccc1C#N ZINC000179740106 509600072 /nfs/dbraw/zinc/60/00/72/509600072.db2.gz YXUINLPHMMCGOA-SJLPKXTDSA-N 1 2 356.376 2.715 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)ccc1C#N ZINC000179740106 509600076 /nfs/dbraw/zinc/60/00/76/509600076.db2.gz YXUINLPHMMCGOA-SJLPKXTDSA-N 1 2 356.376 2.715 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249113288 509607490 /nfs/dbraw/zinc/60/74/90/509607490.db2.gz RLQPANXHMTZPCA-IAGOWNOFSA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccnc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249113288 509607492 /nfs/dbraw/zinc/60/74/92/509607492.db2.gz RLQPANXHMTZPCA-IAGOWNOFSA-N 1 2 358.804 2.921 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000267781557 509611578 /nfs/dbraw/zinc/61/15/78/509611578.db2.gz HWZKZOMRDKSTOY-MAUKXSAKSA-N 1 2 353.470 2.718 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000267781557 509611586 /nfs/dbraw/zinc/61/15/86/509611586.db2.gz HWZKZOMRDKSTOY-MAUKXSAKSA-N 1 2 353.470 2.718 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000186283058 509621783 /nfs/dbraw/zinc/62/17/83/509621783.db2.gz VYPSWLOSDWPEIC-RXVVDRJESA-N 1 2 365.477 2.677 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000186288862 509624694 /nfs/dbraw/zinc/62/46/94/509624694.db2.gz PRXJUJZTBBDKSA-ZWKOTPCHSA-N 1 2 354.498 2.638 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000186288862 509624698 /nfs/dbraw/zinc/62/46/98/509624698.db2.gz PRXJUJZTBBDKSA-ZWKOTPCHSA-N 1 2 354.498 2.638 20 30 FFEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)cs1 ZINC000267823357 509629357 /nfs/dbraw/zinc/62/93/57/509629357.db2.gz YGDVHTIDBJQTIZ-CQSZACIVSA-N 1 2 357.483 2.829 20 30 FFEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)cs1 ZINC000267823357 509629365 /nfs/dbraw/zinc/62/93/65/509629365.db2.gz YGDVHTIDBJQTIZ-CQSZACIVSA-N 1 2 357.483 2.829 20 30 FFEDLO CCC[N@H+](CC(=O)OC(C)(C)C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000186315686 509641038 /nfs/dbraw/zinc/64/10/38/509641038.db2.gz NITYPCREYFRSRQ-OAHLLOKOSA-N 1 2 351.491 2.771 20 30 FFEDLO CCC[N@@H+](CC(=O)OC(C)(C)C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000186315686 509641044 /nfs/dbraw/zinc/64/10/44/509641044.db2.gz NITYPCREYFRSRQ-OAHLLOKOSA-N 1 2 351.491 2.771 20 30 FFEDLO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1nc(C2CC2)no1 ZINC000179830475 509641589 /nfs/dbraw/zinc/64/15/89/509641589.db2.gz XABRKPWUQIEYMC-MRXNPFEDSA-N 1 2 374.466 2.579 20 30 FFEDLO N#Cc1cccnc1N1CCN(Cc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000170643181 509692939 /nfs/dbraw/zinc/69/29/39/509692939.db2.gz JHBZRGZAGOANLK-UHFFFAOYSA-N 1 2 358.449 2.520 20 30 FFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000186409051 509695107 /nfs/dbraw/zinc/69/51/07/509695107.db2.gz JHFSZJGWIJSFFZ-UHFFFAOYSA-N 1 2 372.837 2.876 20 30 FFEDLO COCC[N@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000249838963 509773381 /nfs/dbraw/zinc/77/33/81/509773381.db2.gz URCDVUALROEPDQ-ABSDTBQOSA-N 1 2 357.498 2.948 20 30 FFEDLO COCC[N@@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000249838963 509773389 /nfs/dbraw/zinc/77/33/89/509773389.db2.gz URCDVUALROEPDQ-ABSDTBQOSA-N 1 2 357.498 2.948 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)s1 ZINC000176960852 509786604 /nfs/dbraw/zinc/78/66/04/509786604.db2.gz FCANEMYTNCLUSX-UHFFFAOYSA-N 1 2 359.426 2.868 20 30 FFEDLO Cc1ccccc1N1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000176987575 509800713 /nfs/dbraw/zinc/80/07/13/509800713.db2.gz PNQOLQZLUOGMIH-SFHVURJKSA-N 1 2 366.490 2.856 20 30 FFEDLO COc1ccc2nc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)sc2c1 ZINC000186729687 509877099 /nfs/dbraw/zinc/87/70/99/509877099.db2.gz PDAYABOIXMHWNK-UHFFFAOYSA-N 1 2 365.462 2.894 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000268475881 509955156 /nfs/dbraw/zinc/95/51/56/509955156.db2.gz NEILERWEDDEODW-DOTOQJQBSA-N 1 2 366.469 2.628 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000268475881 509955163 /nfs/dbraw/zinc/95/51/63/509955163.db2.gz NEILERWEDDEODW-DOTOQJQBSA-N 1 2 366.469 2.628 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000268475881 509955167 /nfs/dbraw/zinc/95/51/67/509955167.db2.gz NEILERWEDDEODW-DOTOQJQBSA-N 1 2 366.469 2.628 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000268475881 509955172 /nfs/dbraw/zinc/95/51/72/509955172.db2.gz NEILERWEDDEODW-DOTOQJQBSA-N 1 2 366.469 2.628 20 30 FFEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n[nH]1 ZINC000268475881 509955177 /nfs/dbraw/zinc/95/51/77/509955177.db2.gz NEILERWEDDEODW-DOTOQJQBSA-N 1 2 366.469 2.628 20 30 FFEDLO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n[nH]1 ZINC000268475881 509955180 /nfs/dbraw/zinc/95/51/80/509955180.db2.gz NEILERWEDDEODW-DOTOQJQBSA-N 1 2 366.469 2.628 20 30 FFEDLO CCCc1noc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)n1 ZINC000174131451 509962377 /nfs/dbraw/zinc/96/23/77/509962377.db2.gz OWRDPXDQNXHDFM-UHFFFAOYSA-N 1 2 367.409 2.833 20 30 FFEDLO Cc1cccc([C@H](CNc2nccc(C#N)c2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000268498393 509970267 /nfs/dbraw/zinc/97/02/67/509970267.db2.gz PNZFGVHKVIZAPT-KRWDZBQOSA-N 1 2 367.409 2.655 20 30 FFEDLO COc1ccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc1OCCCC#N ZINC000245555313 510003942 /nfs/dbraw/zinc/00/39/42/510003942.db2.gz IGFLQMIOYAXKPF-DLBZAZTESA-N 1 2 357.454 2.621 20 30 FFEDLO COc1ccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc1OCCCC#N ZINC000245555313 510003950 /nfs/dbraw/zinc/00/39/50/510003950.db2.gz IGFLQMIOYAXKPF-DLBZAZTESA-N 1 2 357.454 2.621 20 30 FFEDLO COc1cc(OC)cc([C@@H](NCc2ccc(C#N)o2)c2[nH+]ccn2C)c1 ZINC000174259894 510027864 /nfs/dbraw/zinc/02/78/64/510027864.db2.gz NOUGDCPCWADLSI-GOSISDBHSA-N 1 2 352.394 2.781 20 30 FFEDLO COc1cc(OC)cc([C@H](NCc2ccc(C#N)o2)c2[nH+]ccn2C)c1 ZINC000174259906 510028905 /nfs/dbraw/zinc/02/89/05/510028905.db2.gz NOUGDCPCWADLSI-SFHVURJKSA-N 1 2 352.394 2.781 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2cccc(OC)c2CC1 ZINC000193710681 510031361 /nfs/dbraw/zinc/03/13/61/510031361.db2.gz KSPVYEKIKLBYEV-FQEVSTJZSA-N 1 2 350.418 2.882 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCc2cccc(OC)c2CC1 ZINC000193710681 510031365 /nfs/dbraw/zinc/03/13/65/510031365.db2.gz KSPVYEKIKLBYEV-FQEVSTJZSA-N 1 2 350.418 2.882 20 30 FFEDLO N#CC1CCN(C(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000177449838 510067365 /nfs/dbraw/zinc/06/73/65/510067365.db2.gz NZKJUZBIWFYDJG-UHFFFAOYSA-N 1 2 350.378 2.575 20 30 FFEDLO C=CCN(CC=C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000193789155 510071897 /nfs/dbraw/zinc/07/18/97/510071897.db2.gz JQPVRIKJMJHECP-UHFFFAOYSA-N 1 2 352.438 2.902 20 30 FFEDLO Cc1cc(Cl)ccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000177499129 510097954 /nfs/dbraw/zinc/09/79/54/510097954.db2.gz DHUNANVLYJIDHM-UHFFFAOYSA-N 1 2 350.850 2.728 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245803929 510151012 /nfs/dbraw/zinc/15/10/12/510151012.db2.gz ZVEKDGGCLLFFEJ-GOEBONIOSA-N 1 2 370.501 2.593 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245803929 510151015 /nfs/dbraw/zinc/15/10/15/510151015.db2.gz ZVEKDGGCLLFFEJ-GOEBONIOSA-N 1 2 370.501 2.593 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)cc1 ZINC000171622327 510257703 /nfs/dbraw/zinc/25/77/03/510257703.db2.gz XTVXDDVPKYLROI-INIZCTEOSA-N 1 2 365.408 2.977 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)cc1 ZINC000171622327 510257708 /nfs/dbraw/zinc/25/77/08/510257708.db2.gz XTVXDDVPKYLROI-INIZCTEOSA-N 1 2 365.408 2.977 20 30 FFEDLO CCOc1ccccc1NC(=O)[C@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C ZINC000266193707 510455402 /nfs/dbraw/zinc/45/54/02/510455402.db2.gz IZSHZJTUEWTNOZ-KBPBESRZSA-N 1 2 351.447 2.762 20 30 FFEDLO C#CCCSc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1 ZINC000178165182 510466481 /nfs/dbraw/zinc/46/64/81/510466481.db2.gz YDZJMERVAOEJSQ-UHFFFAOYSA-N 1 2 360.458 2.532 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](CCO)Cc1cccnc1 ZINC000269668376 510505065 /nfs/dbraw/zinc/50/50/65/510505065.db2.gz ZPUKLGJNMUPCOY-INIZCTEOSA-N 1 2 359.495 2.541 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](CCO)Cc1cccnc1 ZINC000269668376 510505073 /nfs/dbraw/zinc/50/50/73/510505073.db2.gz ZPUKLGJNMUPCOY-INIZCTEOSA-N 1 2 359.495 2.541 20 30 FFEDLO N#CCC[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)Cc1ccccn1 ZINC000178387231 510578549 /nfs/dbraw/zinc/57/85/49/510578549.db2.gz AOZCPCALKQIQKB-UHFFFAOYSA-N 1 2 362.433 2.874 20 30 FFEDLO N#CCC[N@H+](CCCCN1C(=O)c2ccccc2C1=O)Cc1ccccn1 ZINC000178387231 510578551 /nfs/dbraw/zinc/57/85/51/510578551.db2.gz AOZCPCALKQIQKB-UHFFFAOYSA-N 1 2 362.433 2.874 20 30 FFEDLO C#CCOc1ccc(F)cc1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000266442031 510589856 /nfs/dbraw/zinc/58/98/56/510589856.db2.gz XXIIZKDMAQTSCO-UHFFFAOYSA-N 1 2 368.412 2.582 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191375873 510629572 /nfs/dbraw/zinc/62/95/72/510629572.db2.gz IDKHRENNGFYZGR-SFHVURJKSA-N 1 2 352.438 2.817 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191375873 510629579 /nfs/dbraw/zinc/62/95/79/510629579.db2.gz IDKHRENNGFYZGR-SFHVURJKSA-N 1 2 352.438 2.817 20 30 FFEDLO COC(=O)c1ccc(Cl)c(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000181893027 510644840 /nfs/dbraw/zinc/64/48/40/510644840.db2.gz CLMVUDCFLLRDOD-UHFFFAOYSA-N 1 2 370.840 2.715 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000188249387 510669569 /nfs/dbraw/zinc/66/95/69/510669569.db2.gz QWQXWKSANYJYOR-TWOQFEAHSA-N 1 2 361.486 2.540 20 30 FFEDLO C=C(C)[C@H](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1)OCC ZINC000270143615 510692164 /nfs/dbraw/zinc/69/21/64/510692164.db2.gz SRQXSSQFZUNLPX-HOTGVXAUSA-N 1 2 352.500 2.609 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000266640489 510703761 /nfs/dbraw/zinc/70/37/61/510703761.db2.gz UJYRAWYIIHLHRN-HUUCEWRRSA-N 1 2 370.453 2.985 20 30 FFEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000195350496 510797390 /nfs/dbraw/zinc/79/73/90/510797390.db2.gz WKPIYLFZTHGZLU-UHFFFAOYSA-N 1 2 373.460 2.819 20 30 FFEDLO CC[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)C1 ZINC000329928834 510880224 /nfs/dbraw/zinc/88/02/24/510880224.db2.gz YFXWUEZJTZNILJ-UBDQQSCGSA-N 1 2 365.497 2.805 20 30 FFEDLO CC[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)C1 ZINC000329928834 510880229 /nfs/dbraw/zinc/88/02/29/510880229.db2.gz YFXWUEZJTZNILJ-UBDQQSCGSA-N 1 2 365.497 2.805 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000275357433 510882609 /nfs/dbraw/zinc/88/26/09/510882609.db2.gz VTBACHMMWMAQFM-XJKSGUPXSA-N 1 2 359.817 2.987 20 30 FFEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(OC4CCCC4)c(F)c3)C[C@H]21 ZINC000329949703 510884452 /nfs/dbraw/zinc/88/44/52/510884452.db2.gz HMIBCVROUMERIN-SJLPKXTDSA-N 1 2 363.433 2.707 20 30 FFEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(OC4CCCC4)c(F)c3)C[C@H]21 ZINC000329949703 510884457 /nfs/dbraw/zinc/88/44/57/510884457.db2.gz HMIBCVROUMERIN-SJLPKXTDSA-N 1 2 363.433 2.707 20 30 FFEDLO C[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)CC1 ZINC000329957202 510887758 /nfs/dbraw/zinc/88/77/58/510887758.db2.gz QARUJEBQUXCLNQ-SPUZQDLCSA-N 1 2 365.497 2.805 20 30 FFEDLO C[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)CC1 ZINC000329957202 510887759 /nfs/dbraw/zinc/88/77/59/510887759.db2.gz QARUJEBQUXCLNQ-SPUZQDLCSA-N 1 2 365.497 2.805 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000329969452 510889255 /nfs/dbraw/zinc/88/92/55/510889255.db2.gz XJIYCALOIMOSMM-WBVHZDCISA-N 1 2 371.485 2.702 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@H](C)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000329969436 510889322 /nfs/dbraw/zinc/88/93/22/510889322.db2.gz XJIYCALOIMOSMM-DOTOQJQBSA-N 1 2 371.485 2.702 20 30 FFEDLO C[C@H](CCC1CC1)NC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000329975107 510890957 /nfs/dbraw/zinc/89/09/57/510890957.db2.gz ZOJFGTXFXPJLIT-MRXNPFEDSA-N 1 2 355.486 2.945 20 30 FFEDLO CCN1CCN(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329976181 510891567 /nfs/dbraw/zinc/89/15/67/510891567.db2.gz YMELBVMMPWJRQO-WBAXXEDZSA-N 1 2 353.470 2.936 20 30 FFEDLO O=C(C[N@@H+]1CCO[C@H](C2CC2)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330135440 510923033 /nfs/dbraw/zinc/92/30/33/510923033.db2.gz MUVQIWSDXCCTPP-SOZFHFLDSA-N 1 2 361.486 2.937 20 30 FFEDLO O=C(C[N@H+]1CCO[C@H](C2CC2)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330135440 510923038 /nfs/dbraw/zinc/92/30/38/510923038.db2.gz MUVQIWSDXCCTPP-SOZFHFLDSA-N 1 2 361.486 2.937 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCO[C@@H](C3CC3)C2)C[C@H](C)O1 ZINC000330155934 510926957 /nfs/dbraw/zinc/92/69/57/510926957.db2.gz YMZVOBAXKXKZDP-GQIGUUNPSA-N 1 2 373.497 2.952 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCO[C@@H](C3CC3)C2)C[C@H](C)O1 ZINC000330155934 510926961 /nfs/dbraw/zinc/92/69/61/510926961.db2.gz YMZVOBAXKXKZDP-GQIGUUNPSA-N 1 2 373.497 2.952 20 30 FFEDLO CC(C)Oc1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000297390955 510927718 /nfs/dbraw/zinc/92/77/18/510927718.db2.gz XKOSMZORQVQKIC-UHFFFAOYSA-N 1 2 360.458 2.554 20 30 FFEDLO CC[C@@H]1C[N@H+](CC(=O)NCCc2ccc(F)cc2)C[C@@]2(CCOC2)O1 ZINC000330166670 510928472 /nfs/dbraw/zinc/92/84/72/510928472.db2.gz YGJDKQIFLZESPJ-IEBWSBKVSA-N 1 2 350.434 2.595 20 30 FFEDLO CC[C@@H]1C[N@@H+](CC(=O)NCCc2ccc(F)cc2)C[C@@]2(CCOC2)O1 ZINC000330166670 510928474 /nfs/dbraw/zinc/92/84/74/510928474.db2.gz YGJDKQIFLZESPJ-IEBWSBKVSA-N 1 2 350.434 2.595 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)NC[C@@H]2CCCCC(F)(F)C2)CCN1C ZINC000330199346 510935046 /nfs/dbraw/zinc/93/50/46/510935046.db2.gz VHUACBQXHGJOBE-HUUCEWRRSA-N 1 2 369.460 2.838 20 30 FFEDLO N#Cc1ccc(OCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000282376479 510952052 /nfs/dbraw/zinc/95/20/52/510952052.db2.gz QUWCQSYDPNGCOR-KRWDZBQOSA-N 1 2 364.449 2.876 20 30 FFEDLO Cc1nsc(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c1C#N ZINC000297463465 510955449 /nfs/dbraw/zinc/95/54/49/510955449.db2.gz QIEUBKDLYVDAEF-UHFFFAOYSA-N 1 2 359.430 2.812 20 30 FFEDLO CCN1CCN(C(=O)NC[C@@H]2CCc3ccccc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000330334058 510967321 /nfs/dbraw/zinc/96/73/21/510967321.db2.gz QGNSSGSWRUEBIH-WMZOPIPTSA-N 1 2 353.470 2.732 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285598109 510971799 /nfs/dbraw/zinc/97/17/99/510971799.db2.gz WMESTWIANZZQNN-FQEVSTJZSA-N 1 2 372.444 2.595 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)OC(C)(C)O3)CCO1 ZINC000330355110 510973007 /nfs/dbraw/zinc/97/30/07/510973007.db2.gz QFXNNSKABKJRBV-CJNGLKHVSA-N 1 2 372.425 2.983 20 30 FFEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@H]3CC(C)(C)c4ccccc43)CC2)cn1 ZINC000330357977 510973258 /nfs/dbraw/zinc/97/32/58/510973258.db2.gz UFIVJOSXTSVBBJ-IBGZPJMESA-N 1 2 367.497 2.874 20 30 FFEDLO CCN1CCN(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)C[C@H]1c1[nH]cc[nH+]1 ZINC000330361677 510974653 /nfs/dbraw/zinc/97/46/53/510974653.db2.gz YQVMUNRSGWTJFV-AWEZNQCLSA-N 1 2 371.441 2.841 20 30 FFEDLO CO[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)C(C)C ZINC000330505360 510987842 /nfs/dbraw/zinc/98/78/42/510987842.db2.gz ANRIVPJIDMVBHC-ZACQAIPSSA-N 1 2 355.429 2.885 20 30 FFEDLO CO[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)C(C)C ZINC000330505360 510987847 /nfs/dbraw/zinc/98/78/47/510987847.db2.gz ANRIVPJIDMVBHC-ZACQAIPSSA-N 1 2 355.429 2.885 20 30 FFEDLO N#C[C@@H]1CN(Cc2[nH+]ccn2CC(F)(F)F)CCN1Cc1ccccc1 ZINC000361138520 510998628 /nfs/dbraw/zinc/99/86/28/510998628.db2.gz AKXAQKCTZOPEDH-MRXNPFEDSA-N 1 2 363.387 2.655 20 30 FFEDLO CC(C)(C)Nc1nc(N2CCC(C#N)CC2)[nH+]c(N2CCC(C#N)CC2)n1 ZINC000286115094 511019059 /nfs/dbraw/zinc/01/90/59/511019059.db2.gz FZCBMXRBEWSONB-UHFFFAOYSA-N 1 2 368.489 2.562 20 30 FFEDLO Cc1cc(N(CCC#N)C(=O)CN(C)Cc2[nH+]ccn2C)ccc1Cl ZINC000271020925 511060090 /nfs/dbraw/zinc/06/00/90/511060090.db2.gz OAOMSHXRQDSYGO-UHFFFAOYSA-N 1 2 359.861 2.761 20 30 FFEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000331313129 511060384 /nfs/dbraw/zinc/06/03/84/511060384.db2.gz HSMXFWFNLFEGFP-SMDDNHRTSA-N 1 2 355.891 2.869 20 30 FFEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000331313129 511060389 /nfs/dbraw/zinc/06/03/89/511060389.db2.gz HSMXFWFNLFEGFP-SMDDNHRTSA-N 1 2 355.891 2.869 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000279433694 511080916 /nfs/dbraw/zinc/08/09/16/511080916.db2.gz MPROTXPDLFIVOC-UHFFFAOYSA-N 1 2 353.397 2.664 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCCC(C)(C)[C@H]1C#N)CC2 ZINC000332622407 511087891 /nfs/dbraw/zinc/08/78/91/511087891.db2.gz SKYKQMBYIJIGGQ-LJQANCHMSA-N 1 2 371.481 2.603 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCCC(C)(C)[C@H]1C#N)CC2 ZINC000332622407 511087895 /nfs/dbraw/zinc/08/78/95/511087895.db2.gz SKYKQMBYIJIGGQ-LJQANCHMSA-N 1 2 371.481 2.603 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OC(=O)C3CC3)c(OC)c2)n1 ZINC000279475126 511097215 /nfs/dbraw/zinc/09/72/15/511097215.db2.gz WFBAFVYCPBWWFD-UHFFFAOYSA-N 1 2 367.449 2.862 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OC(=O)C3CC3)c(OC)c2)n1 ZINC000279475126 511097219 /nfs/dbraw/zinc/09/72/19/511097219.db2.gz WFBAFVYCPBWWFD-UHFFFAOYSA-N 1 2 367.449 2.862 20 30 FFEDLO C#CCO[C@H](C)C(=O)N(CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000294615347 511121137 /nfs/dbraw/zinc/12/11/37/511121137.db2.gz OSZDHHBBWTWWRD-GOSISDBHSA-N 1 2 369.465 2.739 20 30 FFEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000298072027 511166360 /nfs/dbraw/zinc/16/63/60/511166360.db2.gz SFWFUSFERDCJRU-UHFFFAOYSA-N 1 2 366.465 2.721 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000279708603 511185999 /nfs/dbraw/zinc/18/59/99/511185999.db2.gz KQNNWXGXIILGBV-LJQANCHMSA-N 1 2 359.433 2.552 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccccc2N2CCO[C@@H](C)C2)n1 ZINC000298142321 511187353 /nfs/dbraw/zinc/18/73/53/511187353.db2.gz QVLSURMTQNCGRQ-SFHVURJKSA-N 1 2 352.482 2.764 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccccc2N2CCO[C@@H](C)C2)n1 ZINC000298142321 511187357 /nfs/dbraw/zinc/18/73/57/511187357.db2.gz QVLSURMTQNCGRQ-SFHVURJKSA-N 1 2 352.482 2.764 20 30 FFEDLO CC(C)(C#N)CCN1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000365014826 511207386 /nfs/dbraw/zinc/20/73/86/511207386.db2.gz FNWUAFAOPLJQPJ-HXUWFJFHSA-N 1 2 368.525 2.735 20 30 FFEDLO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)[NH+]2CCOCC2)cc1 ZINC000298336916 511249478 /nfs/dbraw/zinc/24/94/78/511249478.db2.gz GBVYFNWHPVZRJJ-IHPCNDPISA-N 1 2 370.497 2.750 20 30 FFEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000283144730 511253898 /nfs/dbraw/zinc/25/38/98/511253898.db2.gz DHLNKQIAFDCGCX-UHFFFAOYSA-N 1 2 371.485 2.502 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1(C)C ZINC000295339353 511368768 /nfs/dbraw/zinc/36/87/68/511368768.db2.gz BAWFXHNSZWNHKX-QGZVFWFLSA-N 1 2 360.421 2.701 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc([C@H](C#N)Cc3ccc(C#N)cc3)n2)C1 ZINC000280287537 511408008 /nfs/dbraw/zinc/40/80/08/511408008.db2.gz MIXOXTWQZJCZTF-DLBZAZTESA-N 1 2 351.410 2.573 20 30 FFEDLO CC(C)[N@H+]1CCO[C@@H](c2noc([C@H](C#N)Cc3ccc(C#N)cc3)n2)C1 ZINC000280287537 511408014 /nfs/dbraw/zinc/40/80/14/511408014.db2.gz MIXOXTWQZJCZTF-DLBZAZTESA-N 1 2 351.410 2.573 20 30 FFEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)c1cn(CCC#N)c3ccccc13)CCO2 ZINC000280351050 511432211 /nfs/dbraw/zinc/43/22/11/511432211.db2.gz IHGLIRNATTZODR-KKSFZXQISA-N 1 2 367.449 2.617 20 30 FFEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)c1cn(CCC#N)c3ccccc13)CCO2 ZINC000280351050 511432215 /nfs/dbraw/zinc/43/22/15/511432215.db2.gz IHGLIRNATTZODR-KKSFZXQISA-N 1 2 367.449 2.617 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3F)C2)nc1 ZINC000292174481 511493408 /nfs/dbraw/zinc/49/34/08/511493408.db2.gz MBKWKGXICFCHCB-CQSZACIVSA-N 1 2 374.803 2.838 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3F)C2)nc1 ZINC000292174481 511493413 /nfs/dbraw/zinc/49/34/13/511493413.db2.gz MBKWKGXICFCHCB-CQSZACIVSA-N 1 2 374.803 2.838 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC(C)(C#N)CC1)c1ccccc1F ZINC000272552289 511498765 /nfs/dbraw/zinc/49/87/65/511498765.db2.gz FKQMCGYGQCXGEU-MRXNPFEDSA-N 1 2 355.417 2.984 20 30 FFEDLO Cc1ncc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)s1 ZINC000299109936 511518540 /nfs/dbraw/zinc/51/85/40/511518540.db2.gz ABKXEOWESBFOMA-UHFFFAOYSA-N 1 2 355.423 2.893 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000273260797 511520183 /nfs/dbraw/zinc/52/01/83/511520183.db2.gz BXAPCQSMJVHVPO-HZPDHXFCSA-N 1 2 354.454 2.900 20 30 FFEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C3CC3)n2)cc1 ZINC000273320742 511522153 /nfs/dbraw/zinc/52/21/53/511522153.db2.gz PRPWTRVBMRLEEL-RNODOKPDSA-N 1 2 367.453 2.758 20 30 FFEDLO CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292263801 511528592 /nfs/dbraw/zinc/52/85/92/511528592.db2.gz RQATYYOSIHJZPQ-GOEBONIOSA-N 1 2 371.441 2.723 20 30 FFEDLO CC(C)CO[C@@H](C)c1noc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292263801 511528594 /nfs/dbraw/zinc/52/85/94/511528594.db2.gz RQATYYOSIHJZPQ-GOEBONIOSA-N 1 2 371.441 2.723 20 30 FFEDLO COc1ccccc1[C@H](NC(=O)c1ccc(C#N)c(C)n1)c1[nH+]ccn1C ZINC000363435072 511550474 /nfs/dbraw/zinc/55/04/74/511550474.db2.gz FIWWNCQLJFYXEM-SFHVURJKSA-N 1 2 361.405 2.523 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@]2(CCOC2)O1 ZINC000280662079 511554482 /nfs/dbraw/zinc/55/44/82/511554482.db2.gz ZZVDCPKENOXPHQ-WBMJQRKESA-N 1 2 351.244 2.701 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@]2(CCOC2)O1 ZINC000280662079 511554485 /nfs/dbraw/zinc/55/44/85/511554485.db2.gz ZZVDCPKENOXPHQ-WBMJQRKESA-N 1 2 351.244 2.701 20 30 FFEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292352209 511563751 /nfs/dbraw/zinc/56/37/51/511563751.db2.gz XNMKCGCGDITDHH-YOEHRIQHSA-N 1 2 371.462 2.571 20 30 FFEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292352209 511563756 /nfs/dbraw/zinc/56/37/56/511563756.db2.gz XNMKCGCGDITDHH-YOEHRIQHSA-N 1 2 371.462 2.571 20 30 FFEDLO CC1(C)C[C@@]1(C#N)NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000292590443 511652655 /nfs/dbraw/zinc/65/26/55/511652655.db2.gz VYVMNPNPNDAVAI-NRFANRHFSA-N 1 2 364.449 2.965 20 30 FFEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000280934389 511657573 /nfs/dbraw/zinc/65/75/73/511657573.db2.gz FRNVSIPYRQIQLS-VQIMIIECSA-N 1 2 359.470 2.622 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000280934378 511657966 /nfs/dbraw/zinc/65/79/66/511657966.db2.gz FRNVSIPYRQIQLS-LPHOPBHVSA-N 1 2 359.470 2.622 20 30 FFEDLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)NC1(C#N)CCCCC1 ZINC000302839797 511717311 /nfs/dbraw/zinc/71/73/11/511717311.db2.gz YUJPBBKEWHNWNZ-UHFFFAOYSA-N 1 2 374.460 2.817 20 30 FFEDLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)NC1(C#N)CCCCC1 ZINC000302839797 511717315 /nfs/dbraw/zinc/71/73/15/511717315.db2.gz YUJPBBKEWHNWNZ-UHFFFAOYSA-N 1 2 374.460 2.817 20 30 FFEDLO C=CC[N@@H+](CCC#N)Cc1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1 ZINC000292832059 511737360 /nfs/dbraw/zinc/73/73/60/511737360.db2.gz RKERZDDCRIDHHT-MRXNPFEDSA-N 1 2 359.470 2.842 20 30 FFEDLO C=CC[N@H+](CCC#N)Cc1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1 ZINC000292832059 511737363 /nfs/dbraw/zinc/73/73/63/511737363.db2.gz RKERZDDCRIDHHT-MRXNPFEDSA-N 1 2 359.470 2.842 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCN(CC=C)C1=O ZINC000281384266 511827720 /nfs/dbraw/zinc/82/77/20/511827720.db2.gz PJTBCDDJLQCNSR-MRXNPFEDSA-N 1 2 359.495 2.622 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCN(CC=C)C1=O ZINC000281384266 511827723 /nfs/dbraw/zinc/82/77/23/511827723.db2.gz PJTBCDDJLQCNSR-MRXNPFEDSA-N 1 2 359.495 2.622 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000281409507 511837415 /nfs/dbraw/zinc/83/74/15/511837415.db2.gz MVFOBJZGUOHVEP-MJGOQNOKSA-N 1 2 354.454 2.712 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)C1=O ZINC000281435033 511846642 /nfs/dbraw/zinc/84/66/42/511846642.db2.gz SUYYRSSCRRBORW-IUODEOHRSA-N 1 2 369.387 2.751 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)C1=O ZINC000281435033 511846646 /nfs/dbraw/zinc/84/66/46/511846646.db2.gz SUYYRSSCRRBORW-IUODEOHRSA-N 1 2 369.387 2.751 20 30 FFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)C[C@H](C)NC(=O)C2CCCC2)CC1 ZINC000328644325 511906044 /nfs/dbraw/zinc/90/60/44/511906044.db2.gz AOROKYMSIWSIES-INIZCTEOSA-N 1 2 358.486 2.964 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC000328651136 511907849 /nfs/dbraw/zinc/90/78/49/511907849.db2.gz JPJJYULQNXJOGS-ZWOLRJANSA-N 1 2 353.438 2.974 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC000328651136 511907853 /nfs/dbraw/zinc/90/78/53/511907853.db2.gz JPJJYULQNXJOGS-ZWOLRJANSA-N 1 2 353.438 2.974 20 30 FFEDLO Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000328735785 511922695 /nfs/dbraw/zinc/92/26/95/511922695.db2.gz JFUAWELNISNGQU-ZXFUBFMLSA-N 1 2 368.485 2.778 20 30 FFEDLO Cc1noc(CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000328770842 511929336 /nfs/dbraw/zinc/92/93/36/511929336.db2.gz AILWNBGKGSKYRX-BETUJISGSA-N 1 2 359.430 2.513 20 30 FFEDLO Cc1noc(CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000328770842 511929341 /nfs/dbraw/zinc/92/93/41/511929341.db2.gz AILWNBGKGSKYRX-BETUJISGSA-N 1 2 359.430 2.513 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Cn1cnc3c(C)cccc3c1=O)CCC2 ZINC000328778368 511930652 /nfs/dbraw/zinc/93/06/52/511930652.db2.gz IPFGWLRSKMVBEV-HNNXBMFYSA-N 1 2 365.437 2.744 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1cc(C#N)ccc1C ZINC000281729585 511946482 /nfs/dbraw/zinc/94/64/82/511946482.db2.gz QZGFOAORTJGGPB-INIZCTEOSA-N 1 2 358.467 2.999 20 30 FFEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1cnc([C@H]2CCCO2)s1 ZINC000328889194 511946723 /nfs/dbraw/zinc/94/67/23/511946723.db2.gz QHMBSWIYZKCVGJ-CQSZACIVSA-N 1 2 374.466 2.731 20 30 FFEDLO CC(=O)N1CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC12CCCCC2 ZINC000328949168 511955152 /nfs/dbraw/zinc/95/51/52/511955152.db2.gz BZWLBDRRZBQMMU-UHFFFAOYSA-N 1 2 374.529 2.538 20 30 FFEDLO CC(=O)N1CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC12CCCCC2 ZINC000328949168 511955156 /nfs/dbraw/zinc/95/51/56/511955156.db2.gz BZWLBDRRZBQMMU-UHFFFAOYSA-N 1 2 374.529 2.538 20 30 FFEDLO Cc1noc([C@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)C2CCOCC2)n1 ZINC000328979912 511960219 /nfs/dbraw/zinc/96/02/19/511960219.db2.gz RFRPCWFRFVYXNC-MRXNPFEDSA-N 1 2 361.446 2.618 20 30 FFEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3nnc(C(C)(C)C)s3)C2)n1 ZINC000329015316 511967638 /nfs/dbraw/zinc/96/76/38/511967638.db2.gz GCAKPBBUPSUXKQ-JTQLQIEISA-N 1 2 350.448 2.605 20 30 FFEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3nnc(C(C)(C)C)s3)C2)n1 ZINC000329015316 511967643 /nfs/dbraw/zinc/96/76/43/511967643.db2.gz GCAKPBBUPSUXKQ-JTQLQIEISA-N 1 2 350.448 2.605 20 30 FFEDLO COc1ccsc1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329073620 511978519 /nfs/dbraw/zinc/97/85/19/511978519.db2.gz OYWLWXFHSMDRBE-MLGOLLRUSA-N 1 2 374.466 2.690 20 30 FFEDLO O=C(C[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1)NC1CCCCCC1 ZINC000329090138 511980185 /nfs/dbraw/zinc/98/01/85/511980185.db2.gz IWULUHGPHNJHSR-INIZCTEOSA-N 1 2 353.532 2.706 20 30 FFEDLO O=C(C[N@H+]1CCC[C@H]1C(=O)N1CCSCC1)NC1CCCCCC1 ZINC000329090138 511980193 /nfs/dbraw/zinc/98/01/93/511980193.db2.gz IWULUHGPHNJHSR-INIZCTEOSA-N 1 2 353.532 2.706 20 30 FFEDLO CC1=C(C)CN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)CC1 ZINC000329312270 512025169 /nfs/dbraw/zinc/02/51/69/512025169.db2.gz GLSQEEDFVBUVPQ-VQIMIIECSA-N 1 2 371.485 2.571 20 30 FFEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1Cc2ccccc2OC(C)(C)C1 ZINC000329341890 512031058 /nfs/dbraw/zinc/03/10/58/512031058.db2.gz SKDGVONTJTWTCO-UHFFFAOYSA-N 1 2 361.486 2.684 20 30 FFEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1Cc2ccccc2OC(C)(C)C1 ZINC000329341890 512031061 /nfs/dbraw/zinc/03/10/61/512031061.db2.gz SKDGVONTJTWTCO-UHFFFAOYSA-N 1 2 361.486 2.684 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2ncnn2-c2ccccc2)CC1 ZINC000281975364 512033151 /nfs/dbraw/zinc/03/31/51/512033151.db2.gz LNHDTMJSGPKXMP-UHFFFAOYSA-N 1 2 358.449 2.851 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2ncnn2-c2ccccc2)CC1 ZINC000281975364 512033157 /nfs/dbraw/zinc/03/31/57/512033157.db2.gz LNHDTMJSGPKXMP-UHFFFAOYSA-N 1 2 358.449 2.851 20 30 FFEDLO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000329358327 512033542 /nfs/dbraw/zinc/03/35/42/512033542.db2.gz XBBFYSFQTYVHOZ-WBVHZDCISA-N 1 2 366.469 2.759 20 30 FFEDLO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000329358327 512033546 /nfs/dbraw/zinc/03/35/46/512033546.db2.gz XBBFYSFQTYVHOZ-WBVHZDCISA-N 1 2 366.469 2.759 20 30 FFEDLO O=C(Nc1cnc2c(c1)CCCC2)N1CC[NH+](Cc2ccncc2)CC1 ZINC000329363065 512034691 /nfs/dbraw/zinc/03/46/91/512034691.db2.gz DCKLIIANVWZFBG-UHFFFAOYSA-N 1 2 351.454 2.719 20 30 FFEDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC[C@@H]1C1CCOCC1 ZINC000329484466 512055726 /nfs/dbraw/zinc/05/57/26/512055726.db2.gz QLHXWOJXSLDBPE-GOSISDBHSA-N 1 2 358.486 2.987 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000329526258 512063510 /nfs/dbraw/zinc/06/35/10/512063510.db2.gz HLTXHUZOEFBXHY-AKHDSKFASA-N 1 2 366.465 2.616 20 30 FFEDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCOCC2(CCC2)C1 ZINC000329541331 512066004 /nfs/dbraw/zinc/06/60/04/512066004.db2.gz XESOMHUNKGYRCV-UHFFFAOYSA-N 1 2 368.481 2.890 20 30 FFEDLO O=C(NCc1ccc2c(c1)C(=O)NCC2)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329534041 512066380 /nfs/dbraw/zinc/06/63/80/512066380.db2.gz YLHOZIJNMLYLMQ-GOSISDBHSA-N 1 2 357.454 2.647 20 30 FFEDLO O=C(NCc1ccc2c(c1)C(=O)NCC2)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329534041 512066386 /nfs/dbraw/zinc/06/63/86/512066386.db2.gz YLHOZIJNMLYLMQ-GOSISDBHSA-N 1 2 357.454 2.647 20 30 FFEDLO Cc1cccc2[nH+]cc(/C=C3\CCc4c(cnn4-c4ncccn4)C3=O)n21 ZINC000366530472 512074122 /nfs/dbraw/zinc/07/41/22/512074122.db2.gz LILPJXWRFNAEAT-GXDHUFHOSA-N 1 2 356.389 2.831 20 30 FFEDLO O=C(NC[C@@H]1COCCO1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000329640187 512080801 /nfs/dbraw/zinc/08/08/01/512080801.db2.gz XADSMFBKJBXEEF-QGZVFWFLSA-N 1 2 356.426 2.628 20 30 FFEDLO C[C@H]1CN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000329671056 512084456 /nfs/dbraw/zinc/08/44/56/512084456.db2.gz TYYIIZBDJYPNER-MRXNPFEDSA-N 1 2 359.518 2.615 20 30 FFEDLO O=C(C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1)Nc1nc2c(s1)CCC2 ZINC000329755688 512094002 /nfs/dbraw/zinc/09/40/02/512094002.db2.gz LSQLRFQKGJXRHX-ZDUSSCGKSA-N 1 2 362.499 2.554 20 30 FFEDLO O=C(C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1)Nc1nc2c(s1)CCC2 ZINC000329755688 512094005 /nfs/dbraw/zinc/09/40/05/512094005.db2.gz LSQLRFQKGJXRHX-ZDUSSCGKSA-N 1 2 362.499 2.554 20 30 FFEDLO COc1cccc(-c2nc(=NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)s[nH]2)c1 ZINC000329813275 512100290 /nfs/dbraw/zinc/10/02/90/512100290.db2.gz DIJATVFLIZHZTO-HUUCEWRRSA-N 1 2 373.482 2.588 20 30 FFEDLO COc1cccc(-c2nc(=NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)s[nH]2)c1 ZINC000329813275 512100292 /nfs/dbraw/zinc/10/02/92/512100292.db2.gz DIJATVFLIZHZTO-HUUCEWRRSA-N 1 2 373.482 2.588 20 30 FFEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000329895928 512105916 /nfs/dbraw/zinc/10/59/16/512105916.db2.gz CEQVZAJQJHUWJI-AWEZNQCLSA-N 1 2 364.515 2.610 20 30 FFEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000329895928 512105917 /nfs/dbraw/zinc/10/59/17/512105917.db2.gz CEQVZAJQJHUWJI-AWEZNQCLSA-N 1 2 364.515 2.610 20 30 FFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000367340615 512452897 /nfs/dbraw/zinc/45/28/97/512452897.db2.gz ZGHLZGLEXSNJAN-INIZCTEOSA-N 1 2 369.444 2.693 20 30 FFEDLO CC(=O)c1cc(C#N)ccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000411075024 512461557 /nfs/dbraw/zinc/46/15/57/512461557.db2.gz XDYNESPAJNGYRP-HXUWFJFHSA-N 1 2 363.417 2.600 20 30 FFEDLO CC(=O)c1cc(C#N)ccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000411075024 512461560 /nfs/dbraw/zinc/46/15/60/512461560.db2.gz XDYNESPAJNGYRP-HXUWFJFHSA-N 1 2 363.417 2.600 20 30 FFEDLO CCCc1c(NC(=O)NCc2c[nH+]cn2C)cnn1-c1cccc(C#N)c1 ZINC000377842097 512477790 /nfs/dbraw/zinc/47/77/90/512477790.db2.gz HDNAZAMMHWNKIO-UHFFFAOYSA-N 1 2 363.425 2.752 20 30 FFEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000367586441 512572135 /nfs/dbraw/zinc/57/21/35/512572135.db2.gz PCHBPIQJHICVMO-YJBOKZPZSA-N 1 2 352.400 2.852 20 30 FFEDLO N#Cc1ccccc1OCc1cccc(C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000378071655 512575710 /nfs/dbraw/zinc/57/57/10/512575710.db2.gz QMKLCIRPNWHCBB-UHFFFAOYSA-N 1 2 358.401 2.990 20 30 FFEDLO C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000369736261 512580868 /nfs/dbraw/zinc/58/08/68/512580868.db2.gz NARFCFNPKKKHKO-CQSZACIVSA-N 1 2 356.401 2.983 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000375976019 512596832 /nfs/dbraw/zinc/59/68/32/512596832.db2.gz SUBZJTRGCCTCFM-DLBZAZTESA-N 1 2 365.518 2.742 20 30 FFEDLO CCOc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000369780040 512606539 /nfs/dbraw/zinc/60/65/39/512606539.db2.gz NLYHMAQAQQSTDF-QGZVFWFLSA-N 1 2 372.469 2.676 20 30 FFEDLO CN(CCCn1cc[nH+]c1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000367700006 512622915 /nfs/dbraw/zinc/62/29/15/512622915.db2.gz UJTMDJSLEPFUTM-UHFFFAOYSA-N 1 2 369.444 2.659 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)COCc3cccs3)CCO2)c1 ZINC000376209132 512710283 /nfs/dbraw/zinc/71/02/83/512710283.db2.gz IJYONCANDIEWLV-MJGOQNOKSA-N 1 2 358.463 2.571 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)COCc3cccs3)CCO2)c1 ZINC000376209132 512710287 /nfs/dbraw/zinc/71/02/87/512710287.db2.gz IJYONCANDIEWLV-MJGOQNOKSA-N 1 2 358.463 2.571 20 30 FFEDLO N#Cc1ccc(N2CC[C@H](C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)C2)c(F)c1 ZINC000376231624 512722745 /nfs/dbraw/zinc/72/27/45/512722745.db2.gz SJCOTWHVOFALKJ-INIZCTEOSA-N 1 2 367.428 2.653 20 30 FFEDLO N#Cc1ccc(N2CC[C@H](C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)C2)c(F)c1 ZINC000376231624 512722750 /nfs/dbraw/zinc/72/27/50/512722750.db2.gz SJCOTWHVOFALKJ-INIZCTEOSA-N 1 2 367.428 2.653 20 30 FFEDLO COc1ccccc1[C@H]1CN(C(=O)[C@H](C)Oc2ccccc2C#N)CC[NH2+]1 ZINC000374379024 512801704 /nfs/dbraw/zinc/80/17/04/512801704.db2.gz UYFZOXPNBZHDCI-MAUKXSAKSA-N 1 2 365.433 2.507 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1csnn1 ZINC000412034848 512921166 /nfs/dbraw/zinc/92/11/66/512921166.db2.gz GTKINVSJOCTLPP-OLZOCXBDSA-N 1 2 359.455 2.533 20 30 FFEDLO C[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000396386060 512940448 /nfs/dbraw/zinc/94/04/48/512940448.db2.gz PIIHVMGYEKLJNJ-KRWDZBQOSA-N 1 2 369.490 2.594 20 30 FFEDLO C[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000396386060 512940458 /nfs/dbraw/zinc/94/04/58/512940458.db2.gz PIIHVMGYEKLJNJ-KRWDZBQOSA-N 1 2 369.490 2.594 20 30 FFEDLO C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000396390006 512941172 /nfs/dbraw/zinc/94/11/72/512941172.db2.gz QJJKNOFRMUUMRL-HNNXBMFYSA-N 1 2 373.453 2.592 20 30 FFEDLO C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000396390006 512941175 /nfs/dbraw/zinc/94/11/75/512941175.db2.gz QJJKNOFRMUUMRL-HNNXBMFYSA-N 1 2 373.453 2.592 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000408365981 513053706 /nfs/dbraw/zinc/05/37/06/513053706.db2.gz MLDAORDGAGWPNL-IOASZLSFSA-N 1 2 361.511 2.918 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000408365981 513053712 /nfs/dbraw/zinc/05/37/12/513053712.db2.gz MLDAORDGAGWPNL-IOASZLSFSA-N 1 2 361.511 2.918 20 30 FFEDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000368848461 513120643 /nfs/dbraw/zinc/12/06/43/513120643.db2.gz XDQKFWLBTBBVAU-YOEHRIQHSA-N 1 2 368.437 2.781 20 30 FFEDLO Cc1noc(C)c1CO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000368848461 513120645 /nfs/dbraw/zinc/12/06/45/513120645.db2.gz XDQKFWLBTBBVAU-YOEHRIQHSA-N 1 2 368.437 2.781 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1C ZINC000428795113 513193631 /nfs/dbraw/zinc/19/36/31/513193631.db2.gz VTLNHPDCEDJBHR-SFHVURJKSA-N 1 2 364.449 2.894 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1C ZINC000428795113 513193638 /nfs/dbraw/zinc/19/36/38/513193638.db2.gz VTLNHPDCEDJBHR-SFHVURJKSA-N 1 2 364.449 2.894 20 30 FFEDLO C=CCCn1cc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000424595809 513197756 /nfs/dbraw/zinc/19/77/56/513197756.db2.gz GBSWFMQKHOKTGC-IYBDPMFKSA-N 1 2 369.469 2.716 20 30 FFEDLO C=CCCn1cc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000424595809 513197759 /nfs/dbraw/zinc/19/77/59/513197759.db2.gz GBSWFMQKHOKTGC-IYBDPMFKSA-N 1 2 369.469 2.716 20 30 FFEDLO CC1(C)C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000428925790 513224972 /nfs/dbraw/zinc/22/49/72/513224972.db2.gz AQAQLWWZMWFHJC-AWEZNQCLSA-N 1 2 355.360 2.929 20 30 FFEDLO CC1(C)C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000428925790 513224974 /nfs/dbraw/zinc/22/49/74/513224974.db2.gz AQAQLWWZMWFHJC-AWEZNQCLSA-N 1 2 355.360 2.929 20 30 FFEDLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1CC(=O)NCC#N ZINC000429284395 513326202 /nfs/dbraw/zinc/32/62/02/513326202.db2.gz KCTROIONJGGDBV-SFHVURJKSA-N 1 2 362.905 2.512 20 30 FFEDLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1CC(=O)NCC#N ZINC000429284395 513326206 /nfs/dbraw/zinc/32/62/06/513326206.db2.gz KCTROIONJGGDBV-SFHVURJKSA-N 1 2 362.905 2.512 20 30 FFEDLO CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CC[N@@H+]1CC(=O)NCC#N ZINC000429284395 513326214 /nfs/dbraw/zinc/32/62/14/513326214.db2.gz KCTROIONJGGDBV-SFHVURJKSA-N 1 2 362.905 2.512 20 30 FFEDLO CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CC[N@H+]1CC(=O)NCC#N ZINC000429284395 513326220 /nfs/dbraw/zinc/32/62/20/513326220.db2.gz KCTROIONJGGDBV-SFHVURJKSA-N 1 2 362.905 2.512 20 30 FFEDLO C[C@H]1Cc2ccccc2N1C(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000440624936 513366412 /nfs/dbraw/zinc/36/64/12/513366412.db2.gz JTCGZPOQMLRTQH-AVRDEDQJSA-N 1 2 374.488 2.847 20 30 FFEDLO Cc1cc(NC(=O)C2CC[NH+](CC(F)F)CC2)c(C#N)cc1N(C)C ZINC000415715035 513394901 /nfs/dbraw/zinc/39/49/01/513394901.db2.gz YAWHZLVLAYWUIM-UHFFFAOYSA-N 1 2 350.413 2.848 20 30 FFEDLO C[NH+](C)Cc1ccnc(NS(=O)(=O)c2ccc(CC#N)cc2Cl)c1 ZINC000450977324 513435837 /nfs/dbraw/zinc/43/58/37/513435837.db2.gz VJJTWMXJOYNEKY-UHFFFAOYSA-N 1 2 364.858 2.663 20 30 FFEDLO Cc1cc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(C#N)c[nH+]1 ZINC000425203176 513450220 /nfs/dbraw/zinc/45/02/20/513450220.db2.gz DSJFXUHIGMRLMG-UHFFFAOYSA-N 1 2 360.377 2.708 20 30 FFEDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000430205888 513588665 /nfs/dbraw/zinc/58/86/65/513588665.db2.gz NJVHCOXJLIJEQI-LJQANCHMSA-N 1 2 366.421 2.986 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCNC(=O)C[C@@H]3c3ccccc3)o2)c1 ZINC000441536465 513590637 /nfs/dbraw/zinc/59/06/37/513590637.db2.gz AVNZUUOJEOMLSR-GOSISDBHSA-N 1 2 373.416 2.671 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCNC(=O)C[C@@H]3c3ccccc3)o2)c1 ZINC000441536465 513590645 /nfs/dbraw/zinc/59/06/45/513590645.db2.gz AVNZUUOJEOMLSR-GOSISDBHSA-N 1 2 373.416 2.671 20 30 FFEDLO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451213946 513598374 /nfs/dbraw/zinc/59/83/74/513598374.db2.gz UMPSYTHWVLXJIR-ZFWWWQNUSA-N 1 2 367.902 2.653 20 30 FFEDLO C[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451213946 513598380 /nfs/dbraw/zinc/59/83/80/513598380.db2.gz UMPSYTHWVLXJIR-ZFWWWQNUSA-N 1 2 367.902 2.653 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000425563810 513642767 /nfs/dbraw/zinc/64/27/67/513642767.db2.gz JYYVIXIMEBNBFP-OALUTQOASA-N 1 2 372.513 2.921 20 30 FFEDLO N#CCCn1ncc(C(=O)NCCNc2cccc[nH+]2)c1-c1ccccc1 ZINC000430439785 513653782 /nfs/dbraw/zinc/65/37/82/513653782.db2.gz QIVKUESNHOSLLP-UHFFFAOYSA-N 1 2 360.421 2.701 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccccc1C(F)F ZINC000425694804 513706934 /nfs/dbraw/zinc/70/69/34/513706934.db2.gz VHXAQCPADMGRQJ-UHFFFAOYSA-N 1 2 352.385 2.704 20 30 FFEDLO N#CCNC(=O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000451386507 513715815 /nfs/dbraw/zinc/71/58/15/513715815.db2.gz WXYGAGFYPIIZCZ-UHFFFAOYSA-N 1 2 362.355 2.742 20 30 FFEDLO N#CCNC(=O)C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000451386507 513715819 /nfs/dbraw/zinc/71/58/19/513715819.db2.gz WXYGAGFYPIIZCZ-UHFFFAOYSA-N 1 2 362.355 2.742 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1C#N ZINC000442819947 513787357 /nfs/dbraw/zinc/78/73/57/513787357.db2.gz JKVOSTDBJLKJSV-UHFFFAOYSA-N 1 2 352.394 2.797 20 30 FFEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422589501 513859901 /nfs/dbraw/zinc/85/99/01/513859901.db2.gz MWTWEWUCYKRTRK-UHFFFAOYSA-N 1 2 367.449 2.538 20 30 FFEDLO C=CCN1C(=O)N(Cc2ccn3cc[nH+]c3c2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431263425 513860139 /nfs/dbraw/zinc/86/01/39/513860139.db2.gz KVAQVZYFHPGCBH-SFHVURJKSA-N 1 2 360.417 2.896 20 30 FFEDLO Cc1cc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(C#N)cc1N(C)C ZINC000436500766 513875955 /nfs/dbraw/zinc/87/59/55/513875955.db2.gz ZLXOHBFECPDKMY-INIZCTEOSA-N 1 2 364.453 2.728 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NCC[N@@H+]1CCO[C@H](CC)C1)c1ccc(F)c(F)c1 ZINC000426227434 513876472 /nfs/dbraw/zinc/87/64/72/513876472.db2.gz LRXJUIFGZBQOBT-CRAIPNDOSA-N 1 2 367.440 2.992 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NCC[N@H+]1CCO[C@H](CC)C1)c1ccc(F)c(F)c1 ZINC000426227434 513876479 /nfs/dbraw/zinc/87/64/79/513876479.db2.gz LRXJUIFGZBQOBT-CRAIPNDOSA-N 1 2 367.440 2.992 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000414097531 513974322 /nfs/dbraw/zinc/97/43/22/513974322.db2.gz NMEVWTJEUHVTCU-CYBMUJFWSA-N 1 2 363.512 2.640 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000414097531 513974328 /nfs/dbraw/zinc/97/43/28/513974328.db2.gz NMEVWTJEUHVTCU-CYBMUJFWSA-N 1 2 363.512 2.640 20 30 FFEDLO C=CCC[C@@H]1NC(=O)N([C@H](CC)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000419940905 513975066 /nfs/dbraw/zinc/97/50/66/513975066.db2.gz VOMAAKXFORMENA-IPMKNSEASA-N 1 2 371.481 2.553 20 30 FFEDLO C=CCC[C@@H]1NC(=O)N([C@H](CC)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000419940905 513975069 /nfs/dbraw/zinc/97/50/69/513975069.db2.gz VOMAAKXFORMENA-IPMKNSEASA-N 1 2 371.481 2.553 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2c2ccc(F)cc2)cc1 ZINC000451789067 513981528 /nfs/dbraw/zinc/98/15/28/513981528.db2.gz PUVGMVVOLCOOSR-UYAOXDASSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@@H]2c2ccc(F)cc2)cc1 ZINC000451789067 513981537 /nfs/dbraw/zinc/98/15/37/513981537.db2.gz PUVGMVVOLCOOSR-UYAOXDASSA-N 1 2 356.397 2.511 20 30 FFEDLO CCn1c(SC[C@@H](O)C[N@H+](C)CCC#N)nnc1-c1ccc(C)cc1 ZINC000414141880 513987280 /nfs/dbraw/zinc/98/72/80/513987280.db2.gz INDTXWRESFKJTA-INIZCTEOSA-N 1 2 359.499 2.572 20 30 FFEDLO CCn1c(SC[C@@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccc(C)cc1 ZINC000414141880 513987288 /nfs/dbraw/zinc/98/72/88/513987288.db2.gz INDTXWRESFKJTA-INIZCTEOSA-N 1 2 359.499 2.572 20 30 FFEDLO N#CC1(NC(=O)c2c(O)cccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000436893954 514024037 /nfs/dbraw/zinc/02/40/37/514024037.db2.gz PSBNQDFVNDTMMI-UHFFFAOYSA-N 1 2 353.397 2.819 20 30 FFEDLO CCOc1cccc(C[N@H+](CCO)CC(=O)Nc2oc(C)c(C)c2C#N)c1 ZINC000452051351 514162687 /nfs/dbraw/zinc/16/26/87/514162687.db2.gz XSSOXFADQIAFNZ-UHFFFAOYSA-N 1 2 371.437 2.600 20 30 FFEDLO CCOc1cccc(C[N@@H+](CCO)CC(=O)Nc2oc(C)c(C)c2C#N)c1 ZINC000452051351 514162691 /nfs/dbraw/zinc/16/26/91/514162691.db2.gz XSSOXFADQIAFNZ-UHFFFAOYSA-N 1 2 371.437 2.600 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000437485986 514169435 /nfs/dbraw/zinc/16/94/35/514169435.db2.gz SOWAEPUSMRVTSE-QRVBRYPASA-N 1 2 360.523 2.874 20 30 FFEDLO Cc1cc(NC(=O)NCc2ccc[nH+]c2N(C)C)c(C#N)cc1N(C)C ZINC000417128264 514182151 /nfs/dbraw/zinc/18/21/51/514182151.db2.gz JVWUPXGVSCTXMH-UHFFFAOYSA-N 1 2 352.442 2.715 20 30 FFEDLO C=CCOc1ccccc1C[NH+]1CCC(C(=O)OCC)([S@](C)=O)CC1 ZINC000449410051 514201754 /nfs/dbraw/zinc/20/17/54/514201754.db2.gz TUUCHBLGVVWQBF-VWLOTQADSA-N 1 2 365.495 2.528 20 30 FFEDLO C=CCC(C)(C)CNC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000432575780 514230802 /nfs/dbraw/zinc/23/08/02/514230802.db2.gz ABSOVCNOEAZRJB-IBGZPJMESA-N 1 2 353.507 2.694 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)c2cscc2C#N)[NH+]2CCOCC2)c1 ZINC000432719168 514267711 /nfs/dbraw/zinc/26/77/11/514267711.db2.gz QFMLHJWJUUJKBB-SFHVURJKSA-N 1 2 355.463 2.732 20 30 FFEDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000449668345 514293650 /nfs/dbraw/zinc/29/36/50/514293650.db2.gz STJAWMMLAYWOHQ-CYBMUJFWSA-N 1 2 351.376 2.522 20 30 FFEDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000449668345 514293658 /nfs/dbraw/zinc/29/36/58/514293658.db2.gz STJAWMMLAYWOHQ-CYBMUJFWSA-N 1 2 351.376 2.522 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444757710 514319114 /nfs/dbraw/zinc/31/91/14/514319114.db2.gz AGKWPONOUFRADC-MRXNPFEDSA-N 1 2 372.900 2.923 20 30 FFEDLO C[C@@H]1C[C@H](CO)C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000420945340 514395828 /nfs/dbraw/zinc/39/58/28/514395828.db2.gz RPYNNAOHNMWWIC-KGLIPLIRSA-N 1 2 361.511 2.777 20 30 FFEDLO C[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000420945340 514395833 /nfs/dbraw/zinc/39/58/33/514395833.db2.gz RPYNNAOHNMWWIC-KGLIPLIRSA-N 1 2 361.511 2.777 20 30 FFEDLO C=CCn1cc(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)nn1 ZINC000424175278 514406646 /nfs/dbraw/zinc/40/66/46/514406646.db2.gz UEURXHCHWYGIKB-QGZVFWFLSA-N 1 2 362.861 2.965 20 30 FFEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(Cc3cccc(F)c3C#N)CC2)C1 ZINC000428394600 514465045 /nfs/dbraw/zinc/46/50/45/514465045.db2.gz VVRPZCZEQSEJPD-SJLPKXTDSA-N 1 2 372.488 2.510 20 30 FFEDLO N#Cc1ccc(CNC(=O)Nc2ccccc2C[NH+]2CCOCC2)s1 ZINC000421097764 514481973 /nfs/dbraw/zinc/48/19/73/514481973.db2.gz QQNUZKITKFXXER-UHFFFAOYSA-N 1 2 356.451 2.774 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3c(F)cccc3F)CC2)cc1 ZINC000445646516 514501275 /nfs/dbraw/zinc/50/12/75/514501275.db2.gz GCACSKPJQZGBCR-UHFFFAOYSA-N 1 2 355.388 2.723 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450229948 514553977 /nfs/dbraw/zinc/55/39/77/514553977.db2.gz FHISCKTXBMCYFH-ZCPGHIKRSA-N 1 2 352.837 2.932 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450229948 514553986 /nfs/dbraw/zinc/55/39/86/514553986.db2.gz FHISCKTXBMCYFH-ZCPGHIKRSA-N 1 2 352.837 2.932 20 30 FFEDLO C=CCc1cc(C[NH2+][C@@H](C(=O)OCC)C2CCOCC2)cc(OC)c1O ZINC000475147734 514573275 /nfs/dbraw/zinc/57/32/75/514573275.db2.gz HLYRMQWVVVCIFH-GOSISDBHSA-N 1 2 363.454 2.577 20 30 FFEDLO CC(C)(C)CN1CCC[C@H]([NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1=O ZINC000461358412 514580796 /nfs/dbraw/zinc/58/07/96/514580796.db2.gz FVHUUABDMJFNQY-PMACEKPBSA-N 1 2 368.525 2.906 20 30 FFEDLO CC(C)(C)CN1CCC[C@H]([NH+]2CCN(c3cccc(F)c3C#N)CC2)C1=O ZINC000461392493 514588724 /nfs/dbraw/zinc/58/87/24/514588724.db2.gz WIWBXBGPIGXMEZ-IBGZPJMESA-N 1 2 372.488 2.856 20 30 FFEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000466321067 514608490 /nfs/dbraw/zinc/60/84/90/514608490.db2.gz SERSNENQPNFYPY-KRWDZBQOSA-N 1 2 361.486 2.756 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000484558234 514690855 /nfs/dbraw/zinc/69/08/55/514690855.db2.gz PSQJMZRZQXDGMG-IBGZPJMESA-N 1 2 368.433 2.725 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000484558234 514690860 /nfs/dbraw/zinc/69/08/60/514690860.db2.gz PSQJMZRZQXDGMG-IBGZPJMESA-N 1 2 368.433 2.725 20 30 FFEDLO C[C@H]1OCC[C@]12C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCO2 ZINC000470958948 514693427 /nfs/dbraw/zinc/69/34/27/514693427.db2.gz GGWHWUZYLWAXFF-PBHICJAKSA-N 1 2 355.356 2.817 20 30 FFEDLO C[C@H]1OCC[C@]12C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCO2 ZINC000470958948 514693438 /nfs/dbraw/zinc/69/34/38/514693438.db2.gz GGWHWUZYLWAXFF-PBHICJAKSA-N 1 2 355.356 2.817 20 30 FFEDLO C=CCCCS(=O)(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000489108961 514712311 /nfs/dbraw/zinc/71/23/11/514712311.db2.gz HGWRHACXFCSZHE-IAGOWNOFSA-N 1 2 366.527 2.681 20 30 FFEDLO C[C@H](C(=O)N1CC[NH+](CCOc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000461738246 514714607 /nfs/dbraw/zinc/71/46/07/514714607.db2.gz NICCSLLACVCWNB-SFHVURJKSA-N 1 2 363.461 2.885 20 30 FFEDLO N#Cc1ncc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000455753577 514720978 /nfs/dbraw/zinc/72/09/78/514720978.db2.gz KCAIRSCELJGKNL-UHFFFAOYSA-N 1 2 356.817 2.792 20 30 FFEDLO CCCCCNC(=O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471026620 514723312 /nfs/dbraw/zinc/72/33/12/514723312.db2.gz ZTJYFDXAOPUHFK-GOSISDBHSA-N 1 2 362.905 2.829 20 30 FFEDLO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471027053 514725975 /nfs/dbraw/zinc/72/59/75/514725975.db2.gz CKGQPLAYWIOXSP-YOEHRIQHSA-N 1 2 362.905 2.825 20 30 FFEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(C#N)c1 ZINC000461769820 514728130 /nfs/dbraw/zinc/72/81/30/514728130.db2.gz INSKEIJVUUDMRS-KRWDZBQOSA-N 1 2 358.445 2.878 20 30 FFEDLO C[C@H](C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000461787049 514737232 /nfs/dbraw/zinc/73/72/32/514737232.db2.gz RUDPDGJZKXMFHO-LAUBAEHRSA-N 1 2 363.461 2.851 20 30 FFEDLO C[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000461886925 514768232 /nfs/dbraw/zinc/76/82/32/514768232.db2.gz CPVVJZXIRTUJDP-DYESRHJHSA-N 1 2 363.461 2.851 20 30 FFEDLO C=CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000508463238 514786686 /nfs/dbraw/zinc/78/66/86/514786686.db2.gz FIHXRXYGHFFUCM-KRWDZBQOSA-N 1 2 373.888 2.695 20 30 FFEDLO C=CC[N@@H+](Cc1nc([C@H](C)OC)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000475879669 514841534 /nfs/dbraw/zinc/84/15/34/514841534.db2.gz JBMBVHRIFFPXGV-KBPBESRZSA-N 1 2 369.429 2.502 20 30 FFEDLO C=CC[N@H+](Cc1nc([C@H](C)OC)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000475879669 514841542 /nfs/dbraw/zinc/84/15/42/514841542.db2.gz JBMBVHRIFFPXGV-KBPBESRZSA-N 1 2 369.429 2.502 20 30 FFEDLO N#Cc1cccc(-n2ccc(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)n2)c1 ZINC000467011816 514862341 /nfs/dbraw/zinc/86/23/41/514862341.db2.gz DEBDGLGAEKWJLB-UHFFFAOYSA-N 1 2 372.432 2.669 20 30 FFEDLO C=CCn1c(C2CC2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC000508678952 514862556 /nfs/dbraw/zinc/86/25/56/514862556.db2.gz GEIFGFVDZCINDG-UHFFFAOYSA-N 1 2 371.460 2.811 20 30 FFEDLO C=C(C)CN(C)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000455961265 514867113 /nfs/dbraw/zinc/86/71/13/514867113.db2.gz YNNZPUHWJXKFJO-UHFFFAOYSA-N 1 2 369.263 2.721 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)cc1OC ZINC000503116887 514923178 /nfs/dbraw/zinc/92/31/78/514923178.db2.gz BILCLDUYTRRCKO-INIZCTEOSA-N 1 2 353.484 2.659 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)cc1OC ZINC000503116887 514923189 /nfs/dbraw/zinc/92/31/89/514923189.db2.gz BILCLDUYTRRCKO-INIZCTEOSA-N 1 2 353.484 2.659 20 30 FFEDLO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000508866422 514927205 /nfs/dbraw/zinc/92/72/05/514927205.db2.gz ZYILFUBCDWSOBD-AWEZNQCLSA-N 1 2 369.498 2.799 20 30 FFEDLO CC#CCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000462319924 514992638 /nfs/dbraw/zinc/99/26/38/514992638.db2.gz RNMLIGOFSOAJAH-UHFFFAOYSA-N 1 2 361.294 2.713 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](C/C=C/c3ccc(F)cc3F)CC2)c1C#N ZINC000471821255 515021622 /nfs/dbraw/zinc/02/16/22/515021622.db2.gz QATJRFRTOXDSLD-ONEGZZNKSA-N 1 2 357.408 2.714 20 30 FFEDLO C=CCC(C)(C)CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000489958752 515049151 /nfs/dbraw/zinc/04/91/51/515049151.db2.gz UFIKRLLCNZIBBD-KRWDZBQOSA-N 1 2 360.502 2.736 20 30 FFEDLO C=CCC(C)(C)CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000489958752 515049160 /nfs/dbraw/zinc/04/91/60/515049160.db2.gz UFIKRLLCNZIBBD-KRWDZBQOSA-N 1 2 360.502 2.736 20 30 FFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000453974012 515081215 /nfs/dbraw/zinc/08/12/15/515081215.db2.gz MTVCYGQNOGBOCZ-NSHDSACASA-N 1 2 373.482 2.950 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000453986848 515098828 /nfs/dbraw/zinc/09/88/28/515098828.db2.gz WYWHCWAVUIUDBQ-BBRMVZONSA-N 1 2 354.410 2.599 20 30 FFEDLO COC(=O)c1ccccc1CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000480891290 515127190 /nfs/dbraw/zinc/12/71/90/515127190.db2.gz VJHCSTOUWSHPKK-HXUWFJFHSA-N 1 2 350.418 2.961 20 30 FFEDLO COC(=O)c1ccccc1CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000480891290 515127198 /nfs/dbraw/zinc/12/71/98/515127198.db2.gz VJHCSTOUWSHPKK-HXUWFJFHSA-N 1 2 350.418 2.961 20 30 FFEDLO C=CCC[C@@H](NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)C(=O)OCC ZINC000456600587 515278747 /nfs/dbraw/zinc/27/87/47/515278747.db2.gz DUHVPWIJAKCKSH-CQSZACIVSA-N 1 2 365.380 2.637 20 30 FFEDLO C=CCN1CC[C@H](N2CC[N@@H+](Cc3ccc(C)nc3)C[C@H]2[C@@H](C)CC)C1=O ZINC000499569646 515373877 /nfs/dbraw/zinc/37/38/77/515373877.db2.gz CJKAXPTUTFJKOV-YYWHXJBOSA-N 1 2 370.541 2.709 20 30 FFEDLO C=CCN1CC[C@H](N2CC[N@H+](Cc3ccc(C)nc3)C[C@H]2[C@@H](C)CC)C1=O ZINC000499569646 515373885 /nfs/dbraw/zinc/37/38/85/515373885.db2.gz CJKAXPTUTFJKOV-YYWHXJBOSA-N 1 2 370.541 2.709 20 30 FFEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000491282927 515407980 /nfs/dbraw/zinc/40/79/80/515407980.db2.gz GZNCYSVUSSQYTC-UHFFFAOYSA-N 1 2 355.394 2.808 20 30 FFEDLO C=CC[N@H+](CCc1ccco1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000491282927 515407988 /nfs/dbraw/zinc/40/79/88/515407988.db2.gz GZNCYSVUSSQYTC-UHFFFAOYSA-N 1 2 355.394 2.808 20 30 FFEDLO C=CCCc1ccccc1NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000505011677 515429929 /nfs/dbraw/zinc/42/99/29/515429929.db2.gz YUTALTKIEYOVAK-UHFFFAOYSA-N 1 2 353.470 2.888 20 30 FFEDLO C=CCCc1ccccc1NC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000505017287 515431795 /nfs/dbraw/zinc/43/17/95/515431795.db2.gz TZOJNKCUZQEMKJ-UHFFFAOYSA-N 1 2 372.513 2.823 20 30 FFEDLO C=C(C)CS(=O)(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000477473032 515470191 /nfs/dbraw/zinc/47/01/91/515470191.db2.gz CPBRGBLPBISOOK-ZBFHGGJFSA-N 1 2 362.417 2.735 20 30 FFEDLO C=C(C)CS(=O)(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000477473032 515470193 /nfs/dbraw/zinc/47/01/93/515470193.db2.gz CPBRGBLPBISOOK-ZBFHGGJFSA-N 1 2 362.417 2.735 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459333849 515478578 /nfs/dbraw/zinc/47/85/78/515478578.db2.gz DRFWZNWTGSQNFV-UHFFFAOYSA-N 1 2 366.421 2.793 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459334866 515480705 /nfs/dbraw/zinc/48/07/05/515480705.db2.gz FOGWYAZALAIIKC-OAHLLOKOSA-N 1 2 351.410 2.740 20 30 FFEDLO N#Cc1cccc(C2(NC(=O)NCc3[nH+]ccn3CC(F)(F)F)CC2)c1 ZINC000491953815 515486278 /nfs/dbraw/zinc/48/62/78/515486278.db2.gz BZEWISQVHVLDTO-UHFFFAOYSA-N 1 2 363.343 2.806 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1=O ZINC000500012242 515558424 /nfs/dbraw/zinc/55/84/24/515558424.db2.gz NUACBTOLNSMXHT-FPOVZHCZSA-N 1 2 369.509 2.753 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1=O ZINC000500012242 515558431 /nfs/dbraw/zinc/55/84/31/515558431.db2.gz NUACBTOLNSMXHT-FPOVZHCZSA-N 1 2 369.509 2.753 20 30 FFEDLO N#Cc1ccc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)s1 ZINC000486652920 515582028 /nfs/dbraw/zinc/58/20/28/515582028.db2.gz DORXDHCDURHAPS-UHFFFAOYSA-N 1 2 361.224 2.960 20 30 FFEDLO COC(=O)c1ccc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)s1 ZINC000459506205 515602207 /nfs/dbraw/zinc/60/22/07/515602207.db2.gz FVEOXMBQEPWXNR-UHFFFAOYSA-N 1 2 359.426 2.868 20 30 FFEDLO C[C@@H](CNC(=O)c1ccc(C#N)s1)[NH+]1CCN(c2ccccc2)CC1 ZINC000486803269 515641654 /nfs/dbraw/zinc/64/16/54/515641654.db2.gz WGJBLWNQIYINGT-HNNXBMFYSA-N 1 2 354.479 2.560 20 30 FFEDLO C[C@@H](C(=O)N[C@H](C#N)C1CCCCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000482488258 515692353 /nfs/dbraw/zinc/69/23/53/515692353.db2.gz ZEIVKQYTLIBNKR-OXJNMPFZSA-N 1 2 372.488 2.925 20 30 FFEDLO N#CC1(F)CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000510889000 515704365 /nfs/dbraw/zinc/70/43/65/515704365.db2.gz YTBRLCPUKQLGJZ-CQSZACIVSA-N 1 2 366.234 2.882 20 30 FFEDLO CC[N@@H+](CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C)C[C@H](C)C#N ZINC000505893358 515713867 /nfs/dbraw/zinc/71/38/67/515713867.db2.gz DXVSQFFQHWGGPN-QRWLVFNGSA-N 1 2 359.470 2.753 20 30 FFEDLO CC[N@H+](CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C)C[C@H](C)C#N ZINC000505893358 515713876 /nfs/dbraw/zinc/71/38/76/515713876.db2.gz DXVSQFFQHWGGPN-QRWLVFNGSA-N 1 2 359.470 2.753 20 30 FFEDLO N#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1F ZINC000505912222 515721412 /nfs/dbraw/zinc/72/14/12/515721412.db2.gz JWXBZCWHZWNDHH-HNNXBMFYSA-N 1 2 365.324 2.914 20 30 FFEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000505924714 515725080 /nfs/dbraw/zinc/72/50/80/515725080.db2.gz JXQGRDOSZPNBBK-HXUWFJFHSA-N 1 2 368.437 2.750 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000478240713 515749869 /nfs/dbraw/zinc/74/98/69/515749869.db2.gz WJWJSRYPNWBWQX-SJORKVTESA-N 1 2 361.873 2.518 20 30 FFEDLO C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[NH+]1CCC(C)(C#N)CC1 ZINC000506047115 515761766 /nfs/dbraw/zinc/76/17/66/515761766.db2.gz HLORECLEHNWACV-LLVKDONJSA-N 1 2 351.353 2.961 20 30 FFEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000511108825 515782978 /nfs/dbraw/zinc/78/29/78/515782978.db2.gz NEWVDBSIXIFCBY-FQEVSTJZSA-N 1 2 374.916 2.575 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000469367271 515786518 /nfs/dbraw/zinc/78/65/18/515786518.db2.gz LEFBQGLLNQUAKW-NSISKUIASA-N 1 2 358.482 2.882 20 30 FFEDLO C[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)[C@H](C)[NH+]1CCOCC1 ZINC000469368067 515787130 /nfs/dbraw/zinc/78/71/30/515787130.db2.gz URYCBOQHWLGTFI-SJORKVTESA-N 1 2 368.481 2.784 20 30 FFEDLO COC(=O)C(C)(C)N1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000494387734 515826547 /nfs/dbraw/zinc/82/65/47/515826547.db2.gz RLPNARWFKLFCMX-UHFFFAOYSA-N 1 2 368.399 2.626 20 30 FFEDLO CCOC(=O)c1coc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000474106207 515885909 /nfs/dbraw/zinc/88/59/09/515885909.db2.gz TYXZTKVOYNMDLL-IBGZPJMESA-N 1 2 353.422 2.839 20 30 FFEDLO Cc1c(C#N)cccc1NC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000455002805 515889155 /nfs/dbraw/zinc/88/91/55/515889155.db2.gz PODJFGPKURVATN-UHFFFAOYSA-N 1 2 368.437 2.826 20 30 FFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2c(F)cccc2N2CCCC2)C(N)=O)cc1 ZINC000506625571 515936273 /nfs/dbraw/zinc/93/62/73/515936273.db2.gz UAISHCUFRAXCOW-LJQANCHMSA-N 1 2 352.413 2.614 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(C)c(C#N)cn3)CC2)s1 ZINC000457566840 515977869 /nfs/dbraw/zinc/97/78/69/515977869.db2.gz DHVYXCWAQUFUTG-UHFFFAOYSA-N 1 2 354.479 2.844 20 30 FFEDLO CC(C)(C)n1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)nn1 ZINC000483293291 516021757 /nfs/dbraw/zinc/02/17/57/516021757.db2.gz GJGZWLFEMXVJDI-UHFFFAOYSA-N 1 2 366.469 2.755 20 30 FFEDLO CCNc1ccc(C#N)cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000469944468 516041146 /nfs/dbraw/zinc/04/11/46/516041146.db2.gz QHGUZBLVZCJXHO-HXUWFJFHSA-N 1 2 364.449 2.830 20 30 FFEDLO CCNc1ccc(C#N)cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000469944468 516041156 /nfs/dbraw/zinc/04/11/56/516041156.db2.gz QHGUZBLVZCJXHO-HXUWFJFHSA-N 1 2 364.449 2.830 20 30 FFEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000488073050 516104927 /nfs/dbraw/zinc/10/49/27/516104927.db2.gz KRRJBXPIDUEKMA-ZDUSSCGKSA-N 1 2 356.297 2.974 20 30 FFEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000488073047 516105226 /nfs/dbraw/zinc/10/52/26/516105226.db2.gz KRRJBXPIDUEKMA-CYBMUJFWSA-N 1 2 356.297 2.974 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000479268891 516132072 /nfs/dbraw/zinc/13/20/72/516132072.db2.gz AHNBLBWKWPXFBA-UHFFFAOYSA-N 1 2 358.442 2.521 20 30 FFEDLO CN(C)c1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000501833607 516238272 /nfs/dbraw/zinc/23/82/72/516238272.db2.gz TZWXIBGIEVDQOL-UHFFFAOYSA-N 1 2 366.440 2.721 20 30 FFEDLO CC(C)(C#N)CNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000496644798 516273901 /nfs/dbraw/zinc/27/39/01/516273901.db2.gz AAUIQSDQMQENCU-ZDUSSCGKSA-N 1 2 350.413 2.778 20 30 FFEDLO CC(C)(C#N)CNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000496644798 516273903 /nfs/dbraw/zinc/27/39/03/516273903.db2.gz AAUIQSDQMQENCU-ZDUSSCGKSA-N 1 2 350.413 2.778 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000502030094 516287975 /nfs/dbraw/zinc/28/79/75/516287975.db2.gz ZKGHNJLVVRUFDL-IERDGZPVSA-N 1 2 365.481 2.673 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000502030094 516287980 /nfs/dbraw/zinc/28/79/80/516287980.db2.gz ZKGHNJLVVRUFDL-IERDGZPVSA-N 1 2 365.481 2.673 20 30 FFEDLO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000557630910 516345925 /nfs/dbraw/zinc/34/59/25/516345925.db2.gz SPTLBZBMTSQLSE-UHFFFAOYSA-N 1 2 362.499 2.719 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512817992 516372780 /nfs/dbraw/zinc/37/27/80/516372780.db2.gz OICGCLNZIJAJDU-LBPRGKRZSA-N 1 2 355.410 2.802 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000512817992 516372776 /nfs/dbraw/zinc/37/27/76/516372776.db2.gz OICGCLNZIJAJDU-LBPRGKRZSA-N 1 2 355.410 2.802 20 30 FFEDLO Cc1cccn2cc(CNC(=O)c3cnc(C(F)(F)F)c(C#N)c3)[nH+]c12 ZINC000550830208 516445328 /nfs/dbraw/zinc/44/53/28/516445328.db2.gz BEYJIULKCHRRDD-UHFFFAOYSA-N 1 2 359.311 2.858 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+]([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528487968 516474059 /nfs/dbraw/zinc/47/40/59/516474059.db2.gz BQGBZJUAOACOSA-GOSISDBHSA-N 1 2 352.482 2.872 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000528522748 516499692 /nfs/dbraw/zinc/49/96/92/516499692.db2.gz WGSFURXMKOEQNF-RTBURBONSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000528522748 516499703 /nfs/dbraw/zinc/49/97/03/516499703.db2.gz WGSFURXMKOEQNF-RTBURBONSA-N 1 2 356.397 2.511 20 30 FFEDLO COCCc1noc(CC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)n1 ZINC000528619312 516568384 /nfs/dbraw/zinc/56/83/84/516568384.db2.gz OBJQXBXTNIRNOO-UHFFFAOYSA-N 1 2 358.417 2.724 20 30 FFEDLO N#Cc1c(C[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)cn2ccccc12 ZINC000561443410 516587556 /nfs/dbraw/zinc/58/75/56/516587556.db2.gz OQZXVCIUWFUAIV-UHFFFAOYSA-N 1 2 357.479 2.602 20 30 FFEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3ccncc3C#N)CC2)cs1 ZINC000547835689 516590908 /nfs/dbraw/zinc/59/09/08/516590908.db2.gz WOXXLTKEBPGWQV-CQSZACIVSA-N 1 2 357.483 2.829 20 30 FFEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3ccncc3C#N)CC2)cs1 ZINC000547835689 516590917 /nfs/dbraw/zinc/59/09/17/516590917.db2.gz WOXXLTKEBPGWQV-CQSZACIVSA-N 1 2 357.483 2.829 20 30 FFEDLO C=CCN1CC[C@H](N(C)C(=O)c2ccccc2Oc2cc[nH+]cc2)C1=O ZINC000554714757 516602189 /nfs/dbraw/zinc/60/21/89/516602189.db2.gz NEICQUWULPPLER-KRWDZBQOSA-N 1 2 351.406 2.733 20 30 FFEDLO CC(=O)Nc1nc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cs1 ZINC000528781964 516691912 /nfs/dbraw/zinc/69/19/12/516691912.db2.gz IUJIFXPDUGMQPP-UHFFFAOYSA-N 1 2 356.451 2.769 20 30 FFEDLO CCOC(=O)c1sc2nc(C[NH+]3CCC(CC#N)CC3)nc(N)c2c1C ZINC000541021919 516832895 /nfs/dbraw/zinc/83/28/95/516832895.db2.gz UOKIUQLEFXKCPM-UHFFFAOYSA-N 1 2 373.482 2.884 20 30 FFEDLO CN(C)S(=O)(=O)c1cccc2c1CC[N@H+](Cc1ccc(CC#N)cc1)C2 ZINC000551748755 516852818 /nfs/dbraw/zinc/85/28/18/516852818.db2.gz YNRRMPMTFAFGLL-UHFFFAOYSA-N 1 2 369.490 2.561 20 30 FFEDLO CN(C)S(=O)(=O)c1cccc2c1CC[N@@H+](Cc1ccc(CC#N)cc1)C2 ZINC000551748755 516852826 /nfs/dbraw/zinc/85/28/26/516852826.db2.gz YNRRMPMTFAFGLL-UHFFFAOYSA-N 1 2 369.490 2.561 20 30 FFEDLO CCc1oc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1C(=O)OC ZINC000555327246 516883614 /nfs/dbraw/zinc/88/36/14/516883614.db2.gz ZXQKFMOJRYWCTF-UHFFFAOYSA-N 1 2 353.422 2.822 20 30 FFEDLO CC[N@H+](CCC#N)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562033931 516886373 /nfs/dbraw/zinc/88/63/73/516886373.db2.gz KBVLUNDQHCFDHQ-UHFFFAOYSA-N 1 2 359.167 2.935 20 30 FFEDLO CC[N@@H+](CCC#N)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562033931 516886378 /nfs/dbraw/zinc/88/63/78/516886378.db2.gz KBVLUNDQHCFDHQ-UHFFFAOYSA-N 1 2 359.167 2.935 20 30 FFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2 ZINC000519612429 517079085 /nfs/dbraw/zinc/07/90/85/517079085.db2.gz OFMNZOACUSUGOF-RYUDHWBXSA-N 1 2 363.483 2.880 20 30 FFEDLO CNC(=O)[C@@H]1CCCc2sc(/C=C\c3c[nH+]c4ccc(C#N)cn34)nc21 ZINC000559190693 517115398 /nfs/dbraw/zinc/11/53/98/517115398.db2.gz XGLXWIOPNODZMZ-IQCBXXCUSA-N 1 2 363.446 2.999 20 30 FFEDLO CNC(=O)[C@H]1CCCc2sc(/C=C/c3c[nH+]c4ccc(C#N)cn34)nc21 ZINC000559190699 517115418 /nfs/dbraw/zinc/11/54/18/517115418.db2.gz XGLXWIOPNODZMZ-OWNNVSBGSA-N 1 2 363.446 2.999 20 30 FFEDLO CCOc1ccc(C#N)cc1NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000548667005 517126918 /nfs/dbraw/zinc/12/69/18/517126918.db2.gz SSULERFNLAEDFM-INIZCTEOSA-N 1 2 368.441 2.591 20 30 FFEDLO CC(C)COC[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccco1 ZINC000541626393 517150195 /nfs/dbraw/zinc/15/01/95/517150195.db2.gz FSCBQXPKJVCFPZ-GOSISDBHSA-N 1 2 355.438 2.771 20 30 FFEDLO C[C@@H](C#N)CN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C1CC1 ZINC000532821110 517158243 /nfs/dbraw/zinc/15/82/43/517158243.db2.gz BEKUPIDZOAAMKX-HNNXBMFYSA-N 1 2 365.437 2.676 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000555880027 517164455 /nfs/dbraw/zinc/16/44/55/517164455.db2.gz HVNYXOCWHQKCEF-QZTJIDSGSA-N 1 2 352.438 2.631 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000555880027 517164464 /nfs/dbraw/zinc/16/44/64/517164464.db2.gz HVNYXOCWHQKCEF-QZTJIDSGSA-N 1 2 352.438 2.631 20 30 FFEDLO C=CC[N@H+](CC(=O)NCC(=O)c1cccs1)Cc1ccc(OC)cc1 ZINC000532925239 517203849 /nfs/dbraw/zinc/20/38/49/517203849.db2.gz LWVMTUXHMBHGST-UHFFFAOYSA-N 1 2 358.463 2.744 20 30 FFEDLO C=CC[N@@H+](CC(=O)NCC(=O)c1cccs1)Cc1ccc(OC)cc1 ZINC000532925239 517203857 /nfs/dbraw/zinc/20/38/57/517203857.db2.gz LWVMTUXHMBHGST-UHFFFAOYSA-N 1 2 358.463 2.744 20 30 FFEDLO Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000548799127 517222373 /nfs/dbraw/zinc/22/23/73/517222373.db2.gz CRWGYMKDPDUUEV-SFHVURJKSA-N 1 2 362.477 2.952 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)[nH]1 ZINC000537562564 517233080 /nfs/dbraw/zinc/23/30/80/517233080.db2.gz YSHQYEKHEJIBCJ-KLRDNXEFSA-N 1 2 372.517 2.612 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)[nH]1 ZINC000537562564 517233089 /nfs/dbraw/zinc/23/30/89/517233089.db2.gz YSHQYEKHEJIBCJ-KLRDNXEFSA-N 1 2 372.517 2.612 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n1 ZINC000537562564 517233098 /nfs/dbraw/zinc/23/30/98/517233098.db2.gz YSHQYEKHEJIBCJ-KLRDNXEFSA-N 1 2 372.517 2.612 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n1 ZINC000537562564 517233108 /nfs/dbraw/zinc/23/31/08/517233108.db2.gz YSHQYEKHEJIBCJ-KLRDNXEFSA-N 1 2 372.517 2.612 20 30 FFEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n[nH]1 ZINC000537562564 517233115 /nfs/dbraw/zinc/23/31/15/517233115.db2.gz YSHQYEKHEJIBCJ-KLRDNXEFSA-N 1 2 372.517 2.612 20 30 FFEDLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n[nH]1 ZINC000537562564 517233125 /nfs/dbraw/zinc/23/31/25/517233125.db2.gz YSHQYEKHEJIBCJ-KLRDNXEFSA-N 1 2 372.517 2.612 20 30 FFEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccccc2Oc2ccccc2C#N)CCO1 ZINC000537587208 517245906 /nfs/dbraw/zinc/24/59/06/517245906.db2.gz OBCSLVZTLBHNLK-INIZCTEOSA-N 1 2 365.433 2.801 20 30 FFEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccccc2Oc2ccccc2C#N)CCO1 ZINC000537587208 517245910 /nfs/dbraw/zinc/24/59/10/517245910.db2.gz OBCSLVZTLBHNLK-INIZCTEOSA-N 1 2 365.433 2.801 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000559427975 517250069 /nfs/dbraw/zinc/25/00/69/517250069.db2.gz CIUCABUVFZGTIG-UHFFFAOYSA-N 1 2 354.454 2.545 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@@]3(C#N)CC34CCCC4)c[nH+]2)C[C@H](C)O1 ZINC000562632695 517255133 /nfs/dbraw/zinc/25/51/33/517255133.db2.gz KICNVIKRBHXJPM-MRUHUIDDSA-N 1 2 368.481 2.785 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000515333802 517302526 /nfs/dbraw/zinc/30/25/26/517302526.db2.gz BVAVKQKJAUKMLF-UHFFFAOYSA-N 1 2 357.479 2.804 20 30 FFEDLO COCc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000529816511 517361028 /nfs/dbraw/zinc/36/10/28/517361028.db2.gz NTNYWMGMHLBVLO-FQEVSTJZSA-N 1 2 365.433 2.544 20 30 FFEDLO COCc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000529816511 517361034 /nfs/dbraw/zinc/36/10/34/517361034.db2.gz NTNYWMGMHLBVLO-FQEVSTJZSA-N 1 2 365.433 2.544 20 30 FFEDLO CCOC(=O)C1([NH2+]CCOc2ccc(C#N)cc2)Cc2ccccc2C1 ZINC000533381088 517434986 /nfs/dbraw/zinc/43/49/86/517434986.db2.gz LNPLXOVKELODOV-UHFFFAOYSA-N 1 2 350.418 2.627 20 30 FFEDLO C[C@H]1CN(c2ccc(NCc3cnc4ccc(C#N)cn34)c[nH+]2)C[C@H](C)O1 ZINC000526991051 517435764 /nfs/dbraw/zinc/43/57/64/517435764.db2.gz BEHSXZHVRRABMR-GJZGRUSLSA-N 1 2 362.437 2.827 20 30 FFEDLO C[C@H]1C[C@H](NC(=O)NCCSCc2ccccc2C#N)c2[nH+]ccn21 ZINC000556524277 517478260 /nfs/dbraw/zinc/47/82/60/517478260.db2.gz YGCAUGLVBUAENE-BBRMVZONSA-N 1 2 355.467 2.993 20 30 FFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000546071396 517526704 /nfs/dbraw/zinc/52/67/04/517526704.db2.gz UQJLJACHUCHIGF-UHFFFAOYSA-N 1 2 372.494 2.777 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000527165364 517535954 /nfs/dbraw/zinc/53/59/54/517535954.db2.gz YWTDSYBPJWTTSW-LJQANCHMSA-N 1 2 364.474 2.646 20 30 FFEDLO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)c(C)c1 ZINC000549464266 517577475 /nfs/dbraw/zinc/57/74/75/517577475.db2.gz SCDYHJGPAKZZAU-GUDVDZBRSA-N 1 2 355.482 2.907 20 30 FFEDLO Cc1cc(C#N)cnc1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000556780400 517652678 /nfs/dbraw/zinc/65/26/78/517652678.db2.gz VTSCODNVBBCZSV-UHFFFAOYSA-N 1 2 354.841 2.703 20 30 FFEDLO Cc1cc(C#N)cnc1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000556780400 517652687 /nfs/dbraw/zinc/65/26/87/517652687.db2.gz VTSCODNVBBCZSV-UHFFFAOYSA-N 1 2 354.841 2.703 20 30 FFEDLO C[C@H]1C[C@H](NC(=O)N(C)CCOCc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000516625663 517775827 /nfs/dbraw/zinc/77/58/27/517775827.db2.gz DPYOYDDKOHEIHQ-YOEHRIQHSA-N 1 2 353.426 2.619 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000521714470 517838634 /nfs/dbraw/zinc/83/86/34/517838634.db2.gz IPWIYWOXPKVRCA-LPHOPBHVSA-N 1 2 368.481 2.951 20 30 FFEDLO C=CC[N@H+](CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000521714470 517838642 /nfs/dbraw/zinc/83/86/42/517838642.db2.gz IPWIYWOXPKVRCA-LPHOPBHVSA-N 1 2 368.481 2.951 20 30 FFEDLO CCC1(c2ccccc2)C[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000563347788 517841368 /nfs/dbraw/zinc/84/13/68/517841368.db2.gz VYNHJTINDBORIU-UHFFFAOYSA-N 1 2 354.475 2.996 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000534537128 517932811 /nfs/dbraw/zinc/93/28/11/517932811.db2.gz FZKRVZCEQRRYAC-UHFFFAOYSA-N 1 2 354.429 2.961 20 30 FFEDLO COc1cc2c(cc1C[NH+]1CCN(c3cccc(F)c3C#N)CC1)OCO2 ZINC000546975368 517945312 /nfs/dbraw/zinc/94/53/12/517945312.db2.gz XHQPAOHNMBIBIJ-UHFFFAOYSA-N 1 2 369.396 2.757 20 30 FFEDLO CCn1cc[nH+]c1[C@H](NC(=O)Cc1c(F)cccc1C#N)C1CCOCC1 ZINC000557285434 517945786 /nfs/dbraw/zinc/94/57/86/517945786.db2.gz FVGCBBXAPGKCPB-LJQANCHMSA-N 1 2 370.428 2.740 20 30 FFEDLO CCN(CC)c1ccc(CNS(=O)(=O)c2cc(C#N)ccc2C)c[nH+]1 ZINC000522280302 518061672 /nfs/dbraw/zinc/06/16/72/518061672.db2.gz DPKMAJORNCIVGT-UHFFFAOYSA-N 1 2 358.467 2.586 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000522279316 518063019 /nfs/dbraw/zinc/06/30/19/518063019.db2.gz BHMSVVDCWDPPPE-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO Cc1ccc(-c2noc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)n2)cc1 ZINC000569651212 518219720 /nfs/dbraw/zinc/21/97/20/518219720.db2.gz BLTWYIKEIRKQMY-KRWDZBQOSA-N 1 2 361.405 2.965 20 30 FFEDLO Cc1ccc(-c2noc(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)n2)cc1 ZINC000569651212 518219724 /nfs/dbraw/zinc/21/97/24/518219724.db2.gz BLTWYIKEIRKQMY-KRWDZBQOSA-N 1 2 361.405 2.965 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2ccccc2n1CC(F)(F)F ZINC000575872134 518321070 /nfs/dbraw/zinc/32/10/70/518321070.db2.gz GOXIAZASYSPJDD-INIZCTEOSA-N 1 2 352.360 2.777 20 30 FFEDLO C=CCOc1ccccc1C[NH+]1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000578679881 518323503 /nfs/dbraw/zinc/32/35/03/518323503.db2.gz VTTAKQUVMXMUEE-NRFANRHFSA-N 1 2 365.477 2.596 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CCCCC1 ZINC000581529601 518329788 /nfs/dbraw/zinc/32/97/88/518329788.db2.gz POLUGQCIUNRBFP-MRXNPFEDSA-N 1 2 358.486 2.554 20 30 FFEDLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572815523 518372444 /nfs/dbraw/zinc/37/24/44/518372444.db2.gz SEZDEOCBVJEDCY-IBGZPJMESA-N 1 2 373.888 2.645 20 30 FFEDLO COc1cc2nc(C[NH+]3CCC(CCC#N)CC3)[nH]c(=O)c2cc1OC ZINC000572838716 518385935 /nfs/dbraw/zinc/38/59/35/518385935.db2.gz IMUXIBVAFIHNKI-UHFFFAOYSA-N 1 2 356.426 2.868 20 30 FFEDLO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000567170496 518387276 /nfs/dbraw/zinc/38/72/76/518387276.db2.gz AMWOIHDVMDWUAN-QGZVFWFLSA-N 1 2 350.850 2.508 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CSCc1ccc(Br)cc1 ZINC000576044110 518401970 /nfs/dbraw/zinc/40/19/70/518401970.db2.gz IVFPWNCEUHZYHU-HNNXBMFYSA-N 1 2 370.316 2.642 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)Nc3ccn4cc[nH+]c4c3)C2=O)cc1 ZINC000564421133 518443874 /nfs/dbraw/zinc/44/38/74/518443874.db2.gz FLHFTPQTHCDDJK-KRWDZBQOSA-N 1 2 374.404 2.523 20 30 FFEDLO N#Cc1cccc(F)c1CC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000576137352 518447547 /nfs/dbraw/zinc/44/75/47/518447547.db2.gz VFYXGIPLQLBDQS-UHFFFAOYSA-N 1 2 362.408 2.995 20 30 FFEDLO C=CCn1c([C@H]2CCCS2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000567344310 518476010 /nfs/dbraw/zinc/47/60/10/518476010.db2.gz VDOCWDDTSSBEFC-MRXNPFEDSA-N 1 2 374.514 2.651 20 30 FFEDLO N#CCC[N@@H+](CCn1ccc2cc(Cl)ccc21)CCN1CCOCC1 ZINC000570204792 518494389 /nfs/dbraw/zinc/49/43/89/518494389.db2.gz YYSYFHAQFAUWIK-UHFFFAOYSA-N 1 2 360.889 2.843 20 30 FFEDLO N#CCC[N@H+](CCn1ccc2cc(Cl)ccc21)CCN1CCOCC1 ZINC000570204792 518494399 /nfs/dbraw/zinc/49/43/99/518494399.db2.gz YYSYFHAQFAUWIK-UHFFFAOYSA-N 1 2 360.889 2.843 20 30 FFEDLO N#CCCN(CCn1ccc2cc(Cl)ccc21)CC[NH+]1CCOCC1 ZINC000570204792 518494404 /nfs/dbraw/zinc/49/44/04/518494404.db2.gz YYSYFHAQFAUWIK-UHFFFAOYSA-N 1 2 360.889 2.843 20 30 FFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccccc1I ZINC000573106347 518511423 /nfs/dbraw/zinc/51/14/23/518511423.db2.gz SMYDXWYGVIIFBY-JTQLQIEISA-N 1 2 357.195 2.512 20 30 FFEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000570250748 518515336 /nfs/dbraw/zinc/51/53/36/518515336.db2.gz JKFHKTCMLTXFAM-CYBMUJFWSA-N 1 2 350.413 2.533 20 30 FFEDLO CCC[C@@H]1CN(Cc2ccc(C#N)cn2)CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000581996286 518537417 /nfs/dbraw/zinc/53/74/17/518537417.db2.gz XRZUTDPIOADLMB-OAQYLSRUSA-N 1 2 360.465 2.706 20 30 FFEDLO CCC[C@@H]1CN(Cc2ccc(C#N)cn2)CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000581996286 518537425 /nfs/dbraw/zinc/53/74/25/518537425.db2.gz XRZUTDPIOADLMB-OAQYLSRUSA-N 1 2 360.465 2.706 20 30 FFEDLO CCC[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)CCN1Cc1ccc(C#N)cn1 ZINC000581996286 518537429 /nfs/dbraw/zinc/53/74/29/518537429.db2.gz XRZUTDPIOADLMB-OAQYLSRUSA-N 1 2 360.465 2.706 20 30 FFEDLO CCC[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCN1Cc1ccc(C#N)cn1 ZINC000581996286 518537432 /nfs/dbraw/zinc/53/74/32/518537432.db2.gz XRZUTDPIOADLMB-OAQYLSRUSA-N 1 2 360.465 2.706 20 30 FFEDLO CS(=O)(=O)c1ccc(-c2nc(C[NH+]3CCC(CC#N)CC3)co2)cc1 ZINC000576335347 518541678 /nfs/dbraw/zinc/54/16/78/518541678.db2.gz RGIHCWDTHOCQHB-UHFFFAOYSA-N 1 2 359.451 2.871 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)nc1 ZINC000570317138 518547324 /nfs/dbraw/zinc/54/73/24/518547324.db2.gz ZDXAYHMKYYTDID-GOSISDBHSA-N 1 2 373.453 2.573 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)nc1 ZINC000570317138 518547329 /nfs/dbraw/zinc/54/73/29/518547329.db2.gz ZDXAYHMKYYTDID-GOSISDBHSA-N 1 2 373.453 2.573 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000567483589 518548266 /nfs/dbraw/zinc/54/82/66/518548266.db2.gz JKPQNXWHKZUORJ-HNNXBMFYSA-N 1 2 351.441 2.900 20 30 FFEDLO C=CCCCCNC(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000579382309 518654318 /nfs/dbraw/zinc/65/43/18/518654318.db2.gz SVICRKREORKTMY-INIZCTEOSA-N 1 2 351.878 2.531 20 30 FFEDLO N#Cc1cc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)ccc1OC(F)(F)F ZINC000570623429 518698429 /nfs/dbraw/zinc/69/84/29/518698429.db2.gz KQAAWHJJEJFJDV-LBPRGKRZSA-N 1 2 365.315 2.790 20 30 FFEDLO CCOc1ccc(-c2nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cs2)cc1 ZINC000579480824 518702329 /nfs/dbraw/zinc/70/23/29/518702329.db2.gz YVWRYNNVCIKYQL-GOSISDBHSA-N 1 2 358.467 2.782 20 30 FFEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000567783830 518708557 /nfs/dbraw/zinc/70/85/57/518708557.db2.gz RIPXSBRJRZDOQZ-SJORKVTESA-N 1 2 363.889 2.626 20 30 FFEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000567783830 518708564 /nfs/dbraw/zinc/70/85/64/518708564.db2.gz RIPXSBRJRZDOQZ-SJORKVTESA-N 1 2 363.889 2.626 20 30 FFEDLO N#Cc1ccc(OC2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)c(F)c1 ZINC000588076367 518715902 /nfs/dbraw/zinc/71/59/02/518715902.db2.gz QZIOPDNSJDMRAC-UHFFFAOYSA-N 1 2 364.384 2.721 20 30 FFEDLO C[C@@H](CC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)n1cc[nH+]c1 ZINC000565045168 518759725 /nfs/dbraw/zinc/75/97/25/518759725.db2.gz ALQLVORUFZJSTN-OOHWJJMZSA-N 1 2 353.426 2.607 20 30 FFEDLO Cc1[nH][nH]c(=NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)c1C#N ZINC000588718063 518814766 /nfs/dbraw/zinc/81/47/66/518814766.db2.gz RCUOSRUITGBSFD-AWEZNQCLSA-N 1 2 367.453 2.517 20 30 FFEDLO Cc1[nH][nH]c(=NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)c1C#N ZINC000588718063 518814775 /nfs/dbraw/zinc/81/47/75/518814775.db2.gz RCUOSRUITGBSFD-AWEZNQCLSA-N 1 2 367.453 2.517 20 30 FFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000579811288 518865208 /nfs/dbraw/zinc/86/52/08/518865208.db2.gz LVVJPRPXBFSWMS-UXHICEINSA-N 1 2 353.466 2.695 20 30 FFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000579811288 518865216 /nfs/dbraw/zinc/86/52/16/518865216.db2.gz LVVJPRPXBFSWMS-UXHICEINSA-N 1 2 353.466 2.695 20 30 FFEDLO Cc1nccnc1N1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000589515839 519023317 /nfs/dbraw/zinc/02/33/17/519023317.db2.gz LOZHIOYSKZBGRN-UHFFFAOYSA-N 1 2 361.371 2.998 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCOc1cccc(Br)c1 ZINC000565778659 519129231 /nfs/dbraw/zinc/12/92/31/519129231.db2.gz PUEZNWXQAMAFDL-MRXNPFEDSA-N 1 2 368.275 2.568 20 30 FFEDLO C[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000583260317 519159355 /nfs/dbraw/zinc/15/93/55/519159355.db2.gz OLIWISADIMQPRJ-JSGCOSHPSA-N 1 2 363.483 2.858 20 30 FFEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000583260317 519159363 /nfs/dbraw/zinc/15/93/63/519159363.db2.gz OLIWISADIMQPRJ-JSGCOSHPSA-N 1 2 363.483 2.858 20 30 FFEDLO N#Cc1cccc(NC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)n1 ZINC000574516875 519192486 /nfs/dbraw/zinc/19/24/86/519192486.db2.gz HXUQKXRUWLMDNI-UHFFFAOYSA-N 1 2 355.829 2.786 20 30 FFEDLO N#Cc1cccc(NC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)n1 ZINC000574516875 519192494 /nfs/dbraw/zinc/19/24/94/519192494.db2.gz HXUQKXRUWLMDNI-UHFFFAOYSA-N 1 2 355.829 2.786 20 30 FFEDLO C=CCCCCCNC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000568782047 519212393 /nfs/dbraw/zinc/21/23/93/519212393.db2.gz GSZALFUCWGHCDW-KRWDZBQOSA-N 1 2 372.444 2.627 20 30 FFEDLO N#CCCC1CC[NH+]([C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000571674838 519215470 /nfs/dbraw/zinc/21/54/70/519215470.db2.gz DWKMGPFMQUCNGW-HNNXBMFYSA-N 1 2 350.260 2.991 20 30 FFEDLO CC(C)c1ccc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000583404395 519229153 /nfs/dbraw/zinc/22/91/53/519229153.db2.gz RDGOMSHPGPWTEH-UHFFFAOYSA-N 1 2 357.479 2.982 20 30 FFEDLO CC(C)c1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000583404395 519229160 /nfs/dbraw/zinc/22/91/60/519229160.db2.gz RDGOMSHPGPWTEH-UHFFFAOYSA-N 1 2 357.479 2.982 20 30 FFEDLO Cc1cc(N2CCC[C@@H]2C[C@H](C)O)c(C#N)c(N2CCC[C@H]2C[C@H](C)O)[nH+]1 ZINC000590581790 519273105 /nfs/dbraw/zinc/27/31/05/519273105.db2.gz OAKOTMHYROXOCW-FJIDUMEYSA-N 1 2 372.513 2.741 20 30 FFEDLO CCOC(=O)c1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)nc1 ZINC000583546533 519303712 /nfs/dbraw/zinc/30/37/12/519303712.db2.gz OIUSWVGJZPNKIC-UHFFFAOYSA-N 1 2 350.422 2.711 20 30 FFEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNc2ncc3c(c2C#N)CCC3)on1 ZINC000568993550 519322460 /nfs/dbraw/zinc/32/24/60/519322460.db2.gz JZQDODUTSFWFBA-GJZGRUSLSA-N 1 2 355.417 2.763 20 30 FFEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNc2ncc3c(c2C#N)CCC3)on1 ZINC000568993550 519322469 /nfs/dbraw/zinc/32/24/69/519322469.db2.gz JZQDODUTSFWFBA-GJZGRUSLSA-N 1 2 355.417 2.763 20 30 FFEDLO C=CCCCCCNC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000574770871 519322737 /nfs/dbraw/zinc/32/27/37/519322737.db2.gz QDYGHYSABUPZDB-QGZVFWFLSA-N 1 2 372.444 2.627 20 30 FFEDLO C=CC[N@@H+](CCn1ccc2cc(Cl)ccc21)[C@H]1CCS(=O)(=O)C1 ZINC000580922466 519427332 /nfs/dbraw/zinc/42/73/32/519427332.db2.gz UWRMKWXENCYXDV-INIZCTEOSA-N 1 2 352.887 2.970 20 30 FFEDLO C=CC[N@H+](CCn1ccc2cc(Cl)ccc21)[C@H]1CCS(=O)(=O)C1 ZINC000580922466 519427336 /nfs/dbraw/zinc/42/73/36/519427336.db2.gz UWRMKWXENCYXDV-INIZCTEOSA-N 1 2 352.887 2.970 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)n1cc[nH+]c1 ZINC000566328513 519436220 /nfs/dbraw/zinc/43/62/20/519436220.db2.gz POOWTWHFMBZMQQ-GOEBONIOSA-N 1 2 355.417 2.630 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000580958279 519448501 /nfs/dbraw/zinc/44/85/01/519448501.db2.gz SRMSRSTWSFZDLL-NRFANRHFSA-N 1 2 362.433 2.711 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590971706 519465176 /nfs/dbraw/zinc/46/51/76/519465176.db2.gz HJLNZLJUDHENEF-INMHGKMJSA-N 1 2 359.495 2.988 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590971706 519465180 /nfs/dbraw/zinc/46/51/80/519465180.db2.gz HJLNZLJUDHENEF-INMHGKMJSA-N 1 2 359.495 2.988 20 30 FFEDLO CC(C)(C)c1csc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000569282117 519467320 /nfs/dbraw/zinc/46/73/20/519467320.db2.gz NYDGCUCZCBGBBR-UHFFFAOYSA-N 1 2 365.503 2.520 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3cn(C)nc3C(C)(C)C)CC2)c1C#N ZINC000581283344 519611739 /nfs/dbraw/zinc/61/17/39/519611739.db2.gz UTLJRJIVSRMTRC-UHFFFAOYSA-N 1 2 358.515 2.676 20 30 FFEDLO N#CC1CCC(CNC(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000584151536 519614232 /nfs/dbraw/zinc/61/42/32/519614232.db2.gz FVQGTPBVHGHJTK-UHFFFAOYSA-N 1 2 356.470 2.970 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000566721852 519622620 /nfs/dbraw/zinc/62/26/20/519622620.db2.gz GCCDIBDZSCXYTJ-IXDOHACOSA-N 1 2 358.417 2.681 20 30 FFEDLO CC(C)[C@H](NC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1)c1ccc(F)cc1 ZINC000602856518 519927844 /nfs/dbraw/zinc/92/78/44/519927844.db2.gz KFBGYMSSNIQFNE-FTRWYGJKSA-N 1 2 360.477 2.557 20 30 FFEDLO CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602857754 519929060 /nfs/dbraw/zinc/92/90/60/519929060.db2.gz USHCOHBMSKPEFF-RTBURBONSA-N 1 2 356.514 2.652 20 30 FFEDLO C[C@@H]1C[NH+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@@H](C)N1CC#N ZINC000602856108 519929417 /nfs/dbraw/zinc/92/94/17/519929417.db2.gz YMGZFFHTMBAUGW-PBFPGSCMSA-N 1 2 364.852 2.503 20 30 FFEDLO CCOc1ccc(-c2noc(C[N@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)n2)cc1 ZINC000602856553 519929972 /nfs/dbraw/zinc/92/99/72/519929972.db2.gz KPZWTZUHPVBWPT-GASCZTMLSA-N 1 2 355.442 2.553 20 30 FFEDLO CCOc1ccc(-c2noc(C[N@@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)n2)cc1 ZINC000602856553 519929979 /nfs/dbraw/zinc/92/99/79/519929979.db2.gz KPZWTZUHPVBWPT-GASCZTMLSA-N 1 2 355.442 2.553 20 30 FFEDLO CC(C)[C@H](NC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1)c1ccc(F)cc1 ZINC000602856531 519930156 /nfs/dbraw/zinc/93/01/56/519930156.db2.gz KFBGYMSSNIQFNE-QINHECLXSA-N 1 2 360.477 2.557 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602859202 519932002 /nfs/dbraw/zinc/93/20/02/519932002.db2.gz XIPDOGKMVQALSM-MELADBBJSA-N 1 2 368.403 2.951 20 30 FFEDLO C[C@H]1C[NH+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)C[C@H](C)N1CC#N ZINC000602860361 519934342 /nfs/dbraw/zinc/93/43/42/519934342.db2.gz IWQVWUGSMIEWRB-YESZJQIVSA-N 1 2 372.538 2.822 20 30 FFEDLO COCCOc1ccc(C(F)(F)F)cc1NC(=O)C[NH2+][C@H](C)CC#N ZINC000602864282 519934995 /nfs/dbraw/zinc/93/49/95/519934995.db2.gz QVHIVYDNOCYDLF-LLVKDONJSA-N 1 2 359.348 2.561 20 30 FFEDLO N#Cc1ccccc1NC1CC[NH+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000602895436 519957103 /nfs/dbraw/zinc/95/71/03/519957103.db2.gz NRMHTZZQVVMVHN-UHFFFAOYSA-N 1 2 369.490 2.908 20 30 FFEDLO C[N@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602977887 520002768 /nfs/dbraw/zinc/00/27/68/520002768.db2.gz ILIKQJVTQGTIDR-GDBMZVCRSA-N 1 2 369.387 2.868 20 30 FFEDLO C[N@@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602977887 520002772 /nfs/dbraw/zinc/00/27/72/520002772.db2.gz ILIKQJVTQGTIDR-GDBMZVCRSA-N 1 2 369.387 2.868 20 30 FFEDLO C[N@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[C@H]1C#N ZINC000602981095 520004693 /nfs/dbraw/zinc/00/46/93/520004693.db2.gz ZMGNHXYZXOPKFO-ZFWWWQNUSA-N 1 2 355.360 2.825 20 30 FFEDLO C[N@@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[C@H]1C#N ZINC000602981095 520004696 /nfs/dbraw/zinc/00/46/96/520004696.db2.gz ZMGNHXYZXOPKFO-ZFWWWQNUSA-N 1 2 355.360 2.825 20 30 FFEDLO COc1c(C)[nH+]cnc1N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000594549218 520020843 /nfs/dbraw/zinc/02/08/43/520020843.db2.gz AYRDYDMFTAQMAH-UHFFFAOYSA-N 1 2 351.410 2.520 20 30 FFEDLO CN(C)c1c(F)c(F)ccc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000600105295 520050223 /nfs/dbraw/zinc/05/02/23/520050223.db2.gz JVBHBIRDVWPGGG-UHFFFAOYSA-N 1 2 357.408 2.620 20 30 FFEDLO CN(C)c1c(F)c(F)ccc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000600112736 520054158 /nfs/dbraw/zinc/05/41/58/520054158.db2.gz VMFXPBYDMVTVSH-UHFFFAOYSA-N 1 2 357.408 2.620 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H](O)C(F)(F)F ZINC000594615072 520056219 /nfs/dbraw/zinc/05/62/19/520056219.db2.gz OXNHSCNQEHRULH-CYBMUJFWSA-N 1 2 370.293 2.949 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H](O)C(F)(F)F ZINC000594615072 520056224 /nfs/dbraw/zinc/05/62/24/520056224.db2.gz OXNHSCNQEHRULH-CYBMUJFWSA-N 1 2 370.293 2.949 20 30 FFEDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)CC1(C#N)CCCC1 ZINC000612675012 520084540 /nfs/dbraw/zinc/08/45/40/520084540.db2.gz FJAUDDDMUIJYIJ-KRWDZBQOSA-N 1 2 361.511 2.606 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)CC1(C#N)CCCC1 ZINC000612675012 520084552 /nfs/dbraw/zinc/08/45/52/520084552.db2.gz FJAUDDDMUIJYIJ-KRWDZBQOSA-N 1 2 361.511 2.606 20 30 FFEDLO COc1cc(CNC(=O)NCCc2cn3c(cccc3C)[nH+]2)ccc1C#N ZINC000591998399 520128908 /nfs/dbraw/zinc/12/89/08/520128908.db2.gz DINOVWJYVMCDDV-UHFFFAOYSA-N 1 2 363.421 2.565 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000594750940 520134177 /nfs/dbraw/zinc/13/41/77/520134177.db2.gz RCUZLRPFLHBEOG-ZDUSSCGKSA-N 1 2 361.492 2.596 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000594750940 520134182 /nfs/dbraw/zinc/13/41/82/520134182.db2.gz RCUZLRPFLHBEOG-ZDUSSCGKSA-N 1 2 361.492 2.596 20 30 FFEDLO CC[N@@H+]1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C[C@@H]1C ZINC000594764776 520144330 /nfs/dbraw/zinc/14/43/30/520144330.db2.gz BBAMDISFSKYQIB-LBPRGKRZSA-N 1 2 363.508 2.796 20 30 FFEDLO CC[N@H+]1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C[C@@H]1C ZINC000594764776 520144336 /nfs/dbraw/zinc/14/43/36/520144336.db2.gz BBAMDISFSKYQIB-LBPRGKRZSA-N 1 2 363.508 2.796 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000594768550 520145571 /nfs/dbraw/zinc/14/55/71/520145571.db2.gz VTIQSMRKBWRCIY-VXGBXAGGSA-N 1 2 363.508 2.795 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000594768550 520145577 /nfs/dbraw/zinc/14/55/77/520145577.db2.gz VTIQSMRKBWRCIY-VXGBXAGGSA-N 1 2 363.508 2.795 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000608991395 520175574 /nfs/dbraw/zinc/17/55/74/520175574.db2.gz UEONKMCJQKXVRE-UTKZUKDTSA-N 1 2 370.424 2.705 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000608991395 520175577 /nfs/dbraw/zinc/17/55/77/520175577.db2.gz UEONKMCJQKXVRE-UTKZUKDTSA-N 1 2 370.424 2.705 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c(Br)c1 ZINC000592131117 520206864 /nfs/dbraw/zinc/20/68/64/520206864.db2.gz RBWYEMCFUKKTCN-ZDUSSCGKSA-N 1 2 356.214 2.846 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)c(Br)c1 ZINC000592131117 520206870 /nfs/dbraw/zinc/20/68/70/520206870.db2.gz RBWYEMCFUKKTCN-ZDUSSCGKSA-N 1 2 356.214 2.846 20 30 FFEDLO COCCOCc1cc(C#N)ccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000603317594 520211986 /nfs/dbraw/zinc/21/19/86/520211986.db2.gz CUFKLWHHORXVGZ-GOSISDBHSA-N 1 2 352.438 2.807 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000592142314 520219540 /nfs/dbraw/zinc/21/95/40/520219540.db2.gz PUSAZBASMFTLOT-FQEVSTJZSA-N 1 2 361.445 2.772 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000592142314 520219548 /nfs/dbraw/zinc/21/95/48/520219548.db2.gz PUSAZBASMFTLOT-FQEVSTJZSA-N 1 2 361.445 2.772 20 30 FFEDLO C[C@H](NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000592144859 520220717 /nfs/dbraw/zinc/22/07/17/520220717.db2.gz JSXKRMNPEHFVPT-ZBEGNZNMSA-N 1 2 356.253 2.521 20 30 FFEDLO C[C@H](NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000592144859 520220723 /nfs/dbraw/zinc/22/07/23/520220723.db2.gz JSXKRMNPEHFVPT-ZBEGNZNMSA-N 1 2 356.253 2.521 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000592146355 520222826 /nfs/dbraw/zinc/22/28/26/520222826.db2.gz BXWQNVNYDMMHLI-NRFANRHFSA-N 1 2 373.472 2.837 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000592146355 520222837 /nfs/dbraw/zinc/22/28/37/520222837.db2.gz BXWQNVNYDMMHLI-NRFANRHFSA-N 1 2 373.472 2.837 20 30 FFEDLO CCCCOc1ccc(-c2nnc(C[N@@H+]3CC[C@](O)(CC#N)C3)o2)cc1 ZINC000592147750 520224547 /nfs/dbraw/zinc/22/45/47/520224547.db2.gz RVWFUFHMZNXIGC-LJQANCHMSA-N 1 2 356.426 2.766 20 30 FFEDLO CCCCOc1ccc(-c2nnc(C[N@H+]3CC[C@](O)(CC#N)C3)o2)cc1 ZINC000592147750 520224553 /nfs/dbraw/zinc/22/45/53/520224553.db2.gz RVWFUFHMZNXIGC-LJQANCHMSA-N 1 2 356.426 2.766 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149687 520225642 /nfs/dbraw/zinc/22/56/42/520225642.db2.gz UNKZCYHEIMYOIM-ORAYPTAESA-N 1 2 372.494 2.566 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149687 520225654 /nfs/dbraw/zinc/22/56/54/520225654.db2.gz UNKZCYHEIMYOIM-ORAYPTAESA-N 1 2 372.494 2.566 20 30 FFEDLO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149097 520226721 /nfs/dbraw/zinc/22/67/21/520226721.db2.gz IWFHLPJANLGOMP-KDOFPFPSSA-N 1 2 362.499 2.548 20 30 FFEDLO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149097 520226729 /nfs/dbraw/zinc/22/67/29/520226729.db2.gz IWFHLPJANLGOMP-KDOFPFPSSA-N 1 2 362.499 2.548 20 30 FFEDLO N#Cc1cccc(C2([NH2+]Cc3cc(O)ccc3[N+](=O)[O-])CCOCC2)c1 ZINC000594983251 520244605 /nfs/dbraw/zinc/24/46/05/520244605.db2.gz JQHXPNAOTRNEMB-UHFFFAOYSA-N 1 2 353.378 2.968 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000609487237 520330085 /nfs/dbraw/zinc/33/00/85/520330085.db2.gz YUZVCDMSZLGNKF-HXUWFJFHSA-N 1 2 356.514 2.589 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C(=O)NCCNc3cccc[nH+]3)cc2)nc1 ZINC000609548283 520353048 /nfs/dbraw/zinc/35/30/48/520353048.db2.gz QTQPOHUOVADCDV-UHFFFAOYSA-N 1 2 359.389 2.982 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000597992820 520365981 /nfs/dbraw/zinc/36/59/81/520365981.db2.gz DBGRQSDBRRZJQS-OLZOCXBDSA-N 1 2 357.479 2.920 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000597992820 520365990 /nfs/dbraw/zinc/36/59/90/520365990.db2.gz DBGRQSDBRRZJQS-OLZOCXBDSA-N 1 2 357.479 2.920 20 30 FFEDLO Cc1cc(N2CCN(c3nc4c(cc3C#N)CCC4)CC2)nc(C(C)C)[nH+]1 ZINC000603842158 520374472 /nfs/dbraw/zinc/37/44/72/520374472.db2.gz MAIAQMBIOQZUEJ-UHFFFAOYSA-N 1 2 362.481 2.990 20 30 FFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2csc(Br)c2)C(N)=O)cc1 ZINC000609675848 520403309 /nfs/dbraw/zinc/40/33/09/520403309.db2.gz RSTIOODJUVPSDT-CYBMUJFWSA-N 1 2 350.241 2.698 20 30 FFEDLO C[C@@H](NC(=O)c1sccc1C#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610155472 520561657 /nfs/dbraw/zinc/56/16/57/520561657.db2.gz QOADFSBOLUGUBT-PBHICJAKSA-N 1 2 355.463 2.639 20 30 FFEDLO C[C@@H](NC(=O)c1sccc1C#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610155472 520561664 /nfs/dbraw/zinc/56/16/64/520561664.db2.gz QOADFSBOLUGUBT-PBHICJAKSA-N 1 2 355.463 2.639 20 30 FFEDLO Cc1cc(N2CCN(C(=O)c3ccccc3CC#N)CC2)nc(C(C)C)[nH+]1 ZINC000600975703 520567682 /nfs/dbraw/zinc/56/76/82/520567682.db2.gz BUZUGPFGSXZQBU-UHFFFAOYSA-N 1 2 363.465 2.937 20 30 FFEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC000595621130 520601663 /nfs/dbraw/zinc/60/16/63/520601663.db2.gz UESSLPDAYIUWSO-YJBOKZPZSA-N 1 2 354.479 2.974 20 30 FFEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC000595621130 520601673 /nfs/dbraw/zinc/60/16/73/520601673.db2.gz UESSLPDAYIUWSO-YJBOKZPZSA-N 1 2 354.479 2.974 20 30 FFEDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)nc1 ZINC000595629050 520605398 /nfs/dbraw/zinc/60/53/98/520605398.db2.gz AWOSZIIEZPZTKP-UHFFFAOYSA-N 1 2 356.451 2.514 20 30 FFEDLO COC(=O)c1ccc(F)c(C[NH+]2CCN(c3ccsc3C#N)CC2)c1 ZINC000595629724 520605452 /nfs/dbraw/zinc/60/54/52/520605452.db2.gz JNIJLNLLVHUGQW-UHFFFAOYSA-N 1 2 359.426 2.868 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c([N+](=O)[O-])c1 ZINC000592998581 520675808 /nfs/dbraw/zinc/67/58/08/520675808.db2.gz CJPDSQDLKBWMMH-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO CCO[C@H](C)c1noc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)n1 ZINC000595765956 520707563 /nfs/dbraw/zinc/70/75/63/520707563.db2.gz XKXMBCQIETWQFI-CQSZACIVSA-N 1 2 356.426 2.834 20 30 FFEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000598610413 520742453 /nfs/dbraw/zinc/74/24/53/520742453.db2.gz BENYFDUITNKKOI-ZDUSSCGKSA-N 1 2 353.260 2.944 20 30 FFEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCOc2c(Br)cccc2C1 ZINC000598610413 520742457 /nfs/dbraw/zinc/74/24/57/520742457.db2.gz BENYFDUITNKKOI-ZDUSSCGKSA-N 1 2 353.260 2.944 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCOC(C4CC4)(C4CC4)C3)C2=O)cc1 ZINC000595822030 520745908 /nfs/dbraw/zinc/74/59/08/520745908.db2.gz LLIMGSYJWDRCPH-IBGZPJMESA-N 1 2 351.450 2.555 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCOC(C4CC4)(C4CC4)C3)C2=O)cc1 ZINC000595822030 520745915 /nfs/dbraw/zinc/74/59/15/520745915.db2.gz LLIMGSYJWDRCPH-IBGZPJMESA-N 1 2 351.450 2.555 20 30 FFEDLO C[C@@H]([NH2+][C@H](CO)c1cccc(Cl)c1Cl)C(=O)NC1(C#N)CCC1 ZINC000595828054 520751439 /nfs/dbraw/zinc/75/14/39/520751439.db2.gz HSLBKLJWXHVOTL-ZWNOBZJWSA-N 1 2 356.253 2.567 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000595829330 520753661 /nfs/dbraw/zinc/75/36/61/520753661.db2.gz PNMYTTLPXGTRLS-SMDDNHRTSA-N 1 2 358.269 2.625 20 30 FFEDLO C[C@@]1(C#N)CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1 ZINC000595836540 520757096 /nfs/dbraw/zinc/75/70/96/520757096.db2.gz ZMBCNBZNVVOBSD-UTKZUKDTSA-N 1 2 369.465 2.747 20 30 FFEDLO C[C@@]1(C#N)CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1 ZINC000595836540 520757099 /nfs/dbraw/zinc/75/70/99/520757099.db2.gz ZMBCNBZNVVOBSD-UTKZUKDTSA-N 1 2 369.465 2.747 20 30 FFEDLO C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1[nH+]ccn1C ZINC000595843390 520760031 /nfs/dbraw/zinc/76/00/31/520760031.db2.gz AQTHHWZFIOAMTL-CYBMUJFWSA-N 1 2 371.416 2.745 20 30 FFEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1 ZINC000595844963 520761578 /nfs/dbraw/zinc/76/15/78/520761578.db2.gz JLKMTJDBDFAVST-TXEJJXNPSA-N 1 2 359.451 2.763 20 30 FFEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1 ZINC000595844963 520761592 /nfs/dbraw/zinc/76/15/92/520761592.db2.gz JLKMTJDBDFAVST-TXEJJXNPSA-N 1 2 359.451 2.763 20 30 FFEDLO C[C@@]1(C(F)F)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1 ZINC000595915843 520821841 /nfs/dbraw/zinc/82/18/41/520821841.db2.gz LLKKBPXNKQVVMG-KRWDZBQOSA-N 1 2 369.437 2.793 20 30 FFEDLO C[C@@]1(C(F)F)C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1 ZINC000595915843 520821847 /nfs/dbraw/zinc/82/18/47/520821847.db2.gz LLKKBPXNKQVVMG-KRWDZBQOSA-N 1 2 369.437 2.793 20 30 FFEDLO N#Cc1cc(O)cc(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000614292944 520894652 /nfs/dbraw/zinc/89/46/52/520894652.db2.gz JGFICOPUJLPSMW-UHFFFAOYSA-N 1 2 355.825 2.875 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNc3nc(C#N)c(Cl)s3)c[nH+]2)C[C@H](C)O1 ZINC000596076249 520896984 /nfs/dbraw/zinc/89/69/84/520896984.db2.gz NZIVDSJCFYQQTO-PHIMTYICSA-N 1 2 363.874 2.711 20 30 FFEDLO Cc1ccc(C#N)nc1N1CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000596091692 520908059 /nfs/dbraw/zinc/90/80/59/520908059.db2.gz CIUUKRWKMXMMDT-UHFFFAOYSA-N 1 2 366.856 2.885 20 30 FFEDLO COC(=O)Cc1cc[nH+]c(N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000596112841 520920403 /nfs/dbraw/zinc/92/04/03/520920403.db2.gz GCSBDJUBTHWMLV-UHFFFAOYSA-N 1 2 351.406 2.717 20 30 FFEDLO N#Cc1c(F)cc(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)cc1F ZINC000601726591 520921411 /nfs/dbraw/zinc/92/14/11/520921411.db2.gz CADFHIALADGSEV-UHFFFAOYSA-N 1 2 357.360 2.500 20 30 FFEDLO Cc1ccc([C@@H](CNC(=O)N2CCC[C@H](CC#N)C2)[NH+]2CCOCC2)cc1 ZINC000596179805 520955029 /nfs/dbraw/zinc/95/50/29/520955029.db2.gz QCTQNSVOZIIMNN-UYAOXDASSA-N 1 2 370.497 2.704 20 30 FFEDLO C[C@H](NC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000611175899 521025060 /nfs/dbraw/zinc/02/50/60/521025060.db2.gz OYROOKNXFADABS-ZDUSSCGKSA-N 1 2 369.296 2.702 20 30 FFEDLO COc1c[nH+]c(N2CCC[C@@H](CC#N)C2)nc1N1CCC[C@@H](CC#N)C1 ZINC000596330235 521030335 /nfs/dbraw/zinc/03/03/35/521030335.db2.gz RKJUBUFKNULLSM-HOTGVXAUSA-N 1 2 354.458 2.745 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601975134 521050214 /nfs/dbraw/zinc/05/02/14/521050214.db2.gz LSNRDYJAJGHVDX-YGRLFVJLSA-N 1 2 357.788 2.895 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601975134 521050219 /nfs/dbraw/zinc/05/02/19/521050219.db2.gz LSNRDYJAJGHVDX-YGRLFVJLSA-N 1 2 357.788 2.895 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601974509 521051168 /nfs/dbraw/zinc/05/11/68/521051168.db2.gz JQDOMTFKXXOSJM-CZUORRHYSA-N 1 2 369.387 2.817 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601974509 521051174 /nfs/dbraw/zinc/05/11/74/521051174.db2.gz JQDOMTFKXXOSJM-CZUORRHYSA-N 1 2 369.387 2.817 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000599178836 521073860 /nfs/dbraw/zinc/07/38/60/521073860.db2.gz KFFYBRSNJBQLOQ-UHFFFAOYSA-N 1 2 362.393 2.665 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N(CCn1cc[nH+]c1)C1CCSCC1)OCC ZINC000614672832 521087336 /nfs/dbraw/zinc/08/73/36/521087336.db2.gz DMGVFVHJOWZFAD-QGZVFWFLSA-N 1 2 351.516 2.979 20 30 FFEDLO CCc1ccccc1NC(=O)C[NH+]1CCN(c2nc(C#N)ccc2C)CC1 ZINC000611399139 521136048 /nfs/dbraw/zinc/13/60/48/521136048.db2.gz QRYCYWYXNFPCBN-UHFFFAOYSA-N 1 2 363.465 2.585 20 30 FFEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000614922184 521194434 /nfs/dbraw/zinc/19/44/34/521194434.db2.gz JSAIPWLGITTYIA-CJNGLKHVSA-N 1 2 361.408 2.761 20 30 FFEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000614922184 521194441 /nfs/dbraw/zinc/19/44/41/521194441.db2.gz JSAIPWLGITTYIA-CJNGLKHVSA-N 1 2 361.408 2.761 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1oc2ccccc2c1Br ZINC000602333171 521285984 /nfs/dbraw/zinc/28/59/84/521285984.db2.gz MKLWPMBLIYSNOA-OAHLLOKOSA-N 1 2 350.216 2.769 20 30 FFEDLO N#Cc1cccc(C[N@@H+](CCO)Cc2cc(Br)ccc2F)n1 ZINC000602453062 521353970 /nfs/dbraw/zinc/35/39/70/521353970.db2.gz KPTFYBKFWAUNDM-UHFFFAOYSA-N 1 2 364.218 2.849 20 30 FFEDLO N#Cc1cccc(C[N@H+](CCO)Cc2cc(Br)ccc2F)n1 ZINC000602453062 521353977 /nfs/dbraw/zinc/35/39/77/521353977.db2.gz KPTFYBKFWAUNDM-UHFFFAOYSA-N 1 2 364.218 2.849 20 30 FFEDLO CCO[C@H](C)c1nc(CN2CC[NH+](Cc3cccc(C#N)n3)CC2)cs1 ZINC000602480825 521371651 /nfs/dbraw/zinc/37/16/51/521371651.db2.gz CGQUZZDKFPZZSI-OAHLLOKOSA-N 1 2 371.510 2.825 20 30 FFEDLO C=CC[N@H+](CC(=O)NCCN1CCc2ccccc21)Cc1ccccc1F ZINC000615352957 521379490 /nfs/dbraw/zinc/37/94/90/521379490.db2.gz QRPICMBNKKQUQJ-UHFFFAOYSA-N 1 2 367.468 2.993 20 30 FFEDLO C=CC[N@@H+](CC(=O)NCCN1CCc2ccccc21)Cc1ccccc1F ZINC000615352957 521379497 /nfs/dbraw/zinc/37/94/97/521379497.db2.gz QRPICMBNKKQUQJ-UHFFFAOYSA-N 1 2 367.468 2.993 20 30 FFEDLO N#CCCn1cc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c(-c2ccncc2)n1 ZINC000619068193 521381625 /nfs/dbraw/zinc/38/16/25/521381625.db2.gz WVXXSVPLMMLJMF-QGZVFWFLSA-N 1 2 361.453 2.961 20 30 FFEDLO N#CCCn1cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c(-c2ccncc2)n1 ZINC000619068193 521381633 /nfs/dbraw/zinc/38/16/33/521381633.db2.gz WVXXSVPLMMLJMF-QGZVFWFLSA-N 1 2 361.453 2.961 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCOc3cc(F)ccc3C2)cc1 ZINC000599687821 521402288 /nfs/dbraw/zinc/40/22/88/521402288.db2.gz UWHVOHRJOVQDAH-GOSISDBHSA-N 1 2 356.397 2.526 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCOc3cc(F)ccc3C2)cc1 ZINC000599687821 521402297 /nfs/dbraw/zinc/40/22/97/521402297.db2.gz UWHVOHRJOVQDAH-GOSISDBHSA-N 1 2 356.397 2.526 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(Cl)cc2c1OCC2 ZINC000611961289 521409580 /nfs/dbraw/zinc/40/95/80/521409580.db2.gz HECJMUHHVFWIJJ-ZDUSSCGKSA-N 1 2 369.856 2.647 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(Cl)cc2c1OCC2 ZINC000611961289 521409586 /nfs/dbraw/zinc/40/95/86/521409586.db2.gz HECJMUHHVFWIJJ-ZDUSSCGKSA-N 1 2 369.856 2.647 20 30 FFEDLO Cc1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1Cl ZINC000594197094 521462491 /nfs/dbraw/zinc/46/24/91/521462491.db2.gz CAYJXIHEXGBFLI-UHFFFAOYSA-N 1 2 350.850 2.728 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1cccc(Br)c1 ZINC000597042016 521463032 /nfs/dbraw/zinc/46/30/32/521463032.db2.gz SGMJYIRGCWJSAB-SWLSCSKDSA-N 1 2 359.227 2.589 20 30 FFEDLO CCOC(=O)[C@]1(NCc2c[nH+]c3ccc(C#N)cn23)CCc2ccccc21 ZINC000602729305 521500206 /nfs/dbraw/zinc/50/02/06/521500206.db2.gz NYVUDGCKRPZEGD-NRFANRHFSA-N 1 2 360.417 2.700 20 30 FFEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000597132865 521529740 /nfs/dbraw/zinc/52/97/40/521529740.db2.gz MFCPYQHDPGNTHS-INIZCTEOSA-N 1 2 359.445 2.741 20 30 FFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000594285825 521537755 /nfs/dbraw/zinc/53/77/55/521537755.db2.gz GJONCVWUQAQDDZ-YGRLFVJLSA-N 1 2 352.316 2.868 20 30 FFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000594285825 521537761 /nfs/dbraw/zinc/53/77/61/521537761.db2.gz GJONCVWUQAQDDZ-YGRLFVJLSA-N 1 2 352.316 2.868 20 30 FFEDLO N#C[C@]1(F)CCN(C(=O)C2CCN(c3ccc4cccc(O)c4[nH+]3)CC2)C1 ZINC000615825490 521548020 /nfs/dbraw/zinc/54/80/20/521548020.db2.gz QWRAKALAKRRUBI-HXUWFJFHSA-N 1 2 368.412 2.621 20 30 FFEDLO N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000619421412 521559109 /nfs/dbraw/zinc/55/91/09/521559109.db2.gz SIEDOJNFWPUGBW-GOSISDBHSA-N 1 2 371.872 2.726 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@](C)(C#N)C1)c1ccc(F)cc1 ZINC000612357707 521590785 /nfs/dbraw/zinc/59/07/85/521590785.db2.gz NBCBJRNVOUBWDG-VQIMIIECSA-N 1 2 355.417 2.984 20 30 FFEDLO COc1cc[nH+]c(CN2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1OC ZINC000616113608 521623597 /nfs/dbraw/zinc/62/35/97/521623597.db2.gz BXJSCHKWZCGEFD-GOSISDBHSA-N 1 2 370.428 2.620 20 30 FFEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784567 521872403 /nfs/dbraw/zinc/87/24/03/521872403.db2.gz AYWPQQUYHLYCKC-YJBOKZPZSA-N 1 2 360.889 2.533 20 30 FFEDLO C=CC[C@@H]1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)C1 ZINC000623457049 522037481 /nfs/dbraw/zinc/03/74/81/522037481.db2.gz YFRWQKBJBHYYFD-IXDOHACOSA-N 1 2 358.486 2.803 20 30 FFEDLO C=C(C)C[C@@H]1NC(=O)N(Cc2[nH+]ccn2CCCc2ccccc2)C1=O ZINC000630979859 523288716 /nfs/dbraw/zinc/28/87/16/523288716.db2.gz UMTQSRBSBSSVBB-KRWDZBQOSA-N 1 2 352.438 2.903 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1OC ZINC000625791811 523689792 /nfs/dbraw/zinc/68/97/92/523689792.db2.gz GRERVFHMHFVGGB-CQSZACIVSA-N 1 2 353.260 2.897 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1OC ZINC000625791811 523689798 /nfs/dbraw/zinc/68/97/98/523689798.db2.gz GRERVFHMHFVGGB-CQSZACIVSA-N 1 2 353.260 2.897 20 30 FFEDLO N#Cc1ccsc1NC(=O)CN1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000276155056 526770666 /nfs/dbraw/zinc/77/06/66/526770666.db2.gz ZTIMTFRDSAHMRA-HNNXBMFYSA-N 1 2 355.467 2.997 20 30 FFEDLO Cc1c(Cl)cnc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)c1C#N ZINC000480256005 561205888 /nfs/dbraw/zinc/20/58/88/561205888.db2.gz YCTBNLTWADOZQZ-KBPBESRZSA-N 1 2 362.840 2.673 20 30 FFEDLO Cc1c(Cl)cnc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)c1C#N ZINC000480256005 561205889 /nfs/dbraw/zinc/20/58/89/561205889.db2.gz YCTBNLTWADOZQZ-KBPBESRZSA-N 1 2 362.840 2.673 20 30 FFEDLO Cn1cc[nH+]c1CN1CCC[C@H](Nc2ncc(C#N)c3ccsc32)C1=O ZINC000601142378 553352183 /nfs/dbraw/zinc/35/21/83/553352183.db2.gz ZOXZEQWVZRKSMU-AWEZNQCLSA-N 1 2 366.450 2.505 20 30 FFEDLO C=CCNc1ncc(C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)s1 ZINC000512047358 561890107 /nfs/dbraw/zinc/89/01/07/561890107.db2.gz QMCFUAFLKMHKEX-MRXNPFEDSA-N 1 2 356.495 2.740 20 30 FFEDLO C=CCNc1ncc(C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)s1 ZINC000512047358 561890108 /nfs/dbraw/zinc/89/01/08/561890108.db2.gz QMCFUAFLKMHKEX-MRXNPFEDSA-N 1 2 356.495 2.740 20 30 FFEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000823845020 607519096 /nfs/dbraw/zinc/51/90/96/607519096.db2.gz NEYSSGWEPHCSKZ-UHFFFAOYSA-N 1 2 351.385 2.650 20 30 FFEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000823845020 607519098 /nfs/dbraw/zinc/51/90/98/607519098.db2.gz NEYSSGWEPHCSKZ-UHFFFAOYSA-N 1 2 351.385 2.650 20 30 FFEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)c1cccc(C#N)c1 ZINC000824633633 608480886 /nfs/dbraw/zinc/48/08/86/608480886.db2.gz PTBXASSMWMQRLD-GFCCVEGCSA-N 1 2 372.392 2.639 20 30 FFEDLO C#CC[NH+]1CCN(Cn2nc(-c3cccc(C)c3)n(CC)c2=S)CC1 ZINC000097132566 728482334 /nfs/dbraw/zinc/48/23/34/728482334.db2.gz CYMNQQHJSZDQDK-UHFFFAOYSA-N 1 2 355.511 2.618 20 30 FFEDLO CCCCCCCCc1nnc(NC(=O)N2CC[NH+](CCO)CC2)s1 ZINC000131442292 728722286 /nfs/dbraw/zinc/72/22/86/728722286.db2.gz KWQSULVPMRTMPS-UHFFFAOYSA-N 1 2 369.535 2.583 20 30 FFEDLO COc1ccc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)cc1C#N ZINC000135084402 728735675 /nfs/dbraw/zinc/73/56/75/728735675.db2.gz VKFMYNBQROHUMY-UHFFFAOYSA-N 1 2 356.857 2.933 20 30 FFEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000246631674 729588635 /nfs/dbraw/zinc/58/86/35/729588635.db2.gz WEEYJLOWELMTSG-HUUCEWRRSA-N 1 2 350.894 2.776 20 30 FFEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000246631674 729588638 /nfs/dbraw/zinc/58/86/38/729588638.db2.gz WEEYJLOWELMTSG-HUUCEWRRSA-N 1 2 350.894 2.776 20 30 FFEDLO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)C)CC1)c1cccc(C#N)c1O ZINC000925180094 738486685 /nfs/dbraw/zinc/48/66/85/738486685.db2.gz GRFLTLOYIKSWST-QGZVFWFLSA-N 1 2 365.499 2.507 20 30 FFEDLO N#C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1cccc(Cl)c1Cl ZINC000865620771 730977748 /nfs/dbraw/zinc/97/77/48/730977748.db2.gz CURHGOOQLJICCG-DQWBNOTDSA-N 1 2 354.237 2.563 20 30 FFEDLO Cc1csc([C@H]2CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)n1 ZINC000880008287 732818864 /nfs/dbraw/zinc/81/88/64/732818864.db2.gz RZBFLYLCVFRWDO-HNNXBMFYSA-N 1 2 361.492 2.586 20 30 FFEDLO Cc1csc([C@H]2CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)n1 ZINC000880008287 732818866 /nfs/dbraw/zinc/81/88/66/732818866.db2.gz RZBFLYLCVFRWDO-HNNXBMFYSA-N 1 2 361.492 2.586 20 30 FFEDLO CCOC(=O)c1sc([C@@H]2CC[N@H+](Cc3nc(C#N)cs3)C2)nc1C ZINC000880326149 732891327 /nfs/dbraw/zinc/89/13/27/732891327.db2.gz DPTJXXIVKBQTEN-LLVKDONJSA-N 1 2 362.480 2.946 20 30 FFEDLO CCOC(=O)c1sc([C@@H]2CC[N@@H+](Cc3nc(C#N)cs3)C2)nc1C ZINC000880326149 732891335 /nfs/dbraw/zinc/89/13/35/732891335.db2.gz DPTJXXIVKBQTEN-LLVKDONJSA-N 1 2 362.480 2.946 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cc1OC ZINC000668599449 733143812 /nfs/dbraw/zinc/14/38/12/733143812.db2.gz UHDYAIXDFMYTHL-SUMWQHHRSA-N 1 2 368.271 2.979 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)cc1OC ZINC000668599449 733143816 /nfs/dbraw/zinc/14/38/16/733143816.db2.gz UHDYAIXDFMYTHL-SUMWQHHRSA-N 1 2 368.271 2.979 20 30 FFEDLO C=CC[C@H](C)Sc1nnc([C@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000882031029 733158258 /nfs/dbraw/zinc/15/82/58/733158258.db2.gz UCKLPBHGQIURCF-HOTGVXAUSA-N 1 2 367.563 2.680 20 30 FFEDLO C[N@H+](CC(F)F)C1CCN(c2ncc(C#N)cc2Br)CC1 ZINC000882057979 733164094 /nfs/dbraw/zinc/16/40/94/733164094.db2.gz KLUBNJLUYOYHDU-UHFFFAOYSA-N 1 2 359.218 2.881 20 30 FFEDLO C[N@@H+](CC(F)F)C1CCN(c2ncc(C#N)cc2Br)CC1 ZINC000882057979 733164097 /nfs/dbraw/zinc/16/40/97/733164097.db2.gz KLUBNJLUYOYHDU-UHFFFAOYSA-N 1 2 359.218 2.881 20 30 FFEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(CCC#N)cc2)c2ccccc2C1 ZINC000885001557 733607394 /nfs/dbraw/zinc/60/73/94/733607394.db2.gz GZBCEGKGPDKKEU-UHFFFAOYSA-N 1 2 355.463 2.783 20 30 FFEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(CCC#N)cc2)c2ccccc2C1 ZINC000885001557 733607396 /nfs/dbraw/zinc/60/73/96/733607396.db2.gz GZBCEGKGPDKKEU-UHFFFAOYSA-N 1 2 355.463 2.783 20 30 FFEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949826 738767605 /nfs/dbraw/zinc/76/76/05/738767605.db2.gz NAESNSFEBQXLIF-VXGBXAGGSA-N 1 2 368.275 2.876 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(CC(F)(F)F)s3)CC2)nc1 ZINC000891580174 734448245 /nfs/dbraw/zinc/44/82/45/734448245.db2.gz BBSVKSSLPHJKEU-UHFFFAOYSA-N 1 2 367.400 2.837 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=S)NC(C3CC3)C3CC3)CC2)cc1 ZINC000734755552 734912684 /nfs/dbraw/zinc/91/26/84/734912684.db2.gz UZAUNWWUNOVXIE-UHFFFAOYSA-N 1 2 354.523 2.739 20 30 FFEDLO C=CCCC[NH+]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000735492318 734948327 /nfs/dbraw/zinc/94/83/27/734948327.db2.gz NKVQXBIPCQPUMM-UHFFFAOYSA-N 1 2 362.417 2.978 20 30 FFEDLO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)C2N=NC(=O)N2C)cc1OC ZINC000895170810 734971003 /nfs/dbraw/zinc/97/10/03/734971003.db2.gz GRHJMEOXPUTROH-SNVBAGLBSA-N 1 2 352.822 2.598 20 30 FFEDLO COc1cc(C[NH2+]Cc2nc(C#N)cs2)cc(OC)c1OCC(F)F ZINC000897630164 735257480 /nfs/dbraw/zinc/25/74/80/735257480.db2.gz SQHZISFDQYTNJW-UHFFFAOYSA-N 1 2 369.393 2.966 20 30 FFEDLO C/C(=C/C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)C[NH+]1CCOCC1 ZINC000900608380 735667838 /nfs/dbraw/zinc/66/78/38/735667838.db2.gz MZTGKMNXVVOTHN-LMRWQKIVSA-N 1 2 368.264 2.953 20 30 FFEDLO Cc1sc(NC(=O)CN2CCC([N@H+](C)CC(F)F)CC2)c(C#N)c1C ZINC000750058178 735768632 /nfs/dbraw/zinc/76/86/32/735768632.db2.gz ZULCWZOXRLZTTL-UHFFFAOYSA-N 1 2 370.469 2.836 20 30 FFEDLO Cc1sc(NC(=O)CN2CCC([N@@H+](C)CC(F)F)CC2)c(C#N)c1C ZINC000750058178 735768636 /nfs/dbraw/zinc/76/86/36/735768636.db2.gz ZULCWZOXRLZTTL-UHFFFAOYSA-N 1 2 370.469 2.836 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000903208265 736055258 /nfs/dbraw/zinc/05/52/58/736055258.db2.gz FPCQGFWEWQDXJC-AWEZNQCLSA-N 1 2 361.492 2.550 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(Cc2ccc(Cl)cc2Cl)no1 ZINC000904079632 736218224 /nfs/dbraw/zinc/21/82/24/736218224.db2.gz JKAYZXIGEWEWKC-LBPRGKRZSA-N 1 2 356.209 2.566 20 30 FFEDLO CC(C)c1[nH+]c(C=NNc2ccc(S(N)(=O)=O)cc2)c2ccccn21 ZINC000755456310 736255282 /nfs/dbraw/zinc/25/52/82/736255282.db2.gz UYIRVEGPXYENFB-UHFFFAOYSA-N 1 2 357.439 2.551 20 30 FFEDLO C#CCCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000766895332 737272428 /nfs/dbraw/zinc/27/24/28/737272428.db2.gz FFWQYRHMBGYRHV-UHFFFAOYSA-N 1 2 361.294 2.713 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000767679330 737353263 /nfs/dbraw/zinc/35/32/63/737353263.db2.gz GJCOQWLFJBZCEO-HNNXBMFYSA-N 1 2 350.484 2.538 20 30 FFEDLO CC(C)(C)OC(=O)NCC[N@@H+](CC#Cc1ccccc1Cl)CCO ZINC000767923756 737383030 /nfs/dbraw/zinc/38/30/30/737383030.db2.gz SOLBAIBURXPUDA-UHFFFAOYSA-N 1 2 352.862 2.511 20 30 FFEDLO CC(C)(C)OC(=O)NCC[N@H+](CC#Cc1ccccc1Cl)CCO ZINC000767923756 737383032 /nfs/dbraw/zinc/38/30/32/737383032.db2.gz SOLBAIBURXPUDA-UHFFFAOYSA-N 1 2 352.862 2.511 20 30 FFEDLO CC(C)(C#N)CS(=O)(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000915533468 737635123 /nfs/dbraw/zinc/63/51/23/737635123.db2.gz HCMMQHUKKYNJHV-INIZCTEOSA-N 1 2 361.467 2.580 20 30 FFEDLO CCN(CC)c1ccc(C=[NH+]Nc2ccccc2S(N)(=O)=O)cc1F ZINC000773120801 737872871 /nfs/dbraw/zinc/87/28/71/737872871.db2.gz KLLIFJMXOFEWJF-UHFFFAOYSA-N 1 2 364.446 2.765 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](C[C@H]3CCC[C@H](C(F)(F)F)O3)CC2)c1 ZINC000929270473 738963438 /nfs/dbraw/zinc/96/34/38/738963438.db2.gz SATRYWJRWRKVJF-HUUCEWRRSA-N 1 2 354.376 2.575 20 30 FFEDLO COCCN(C)c1ccc(C=[NH+]NC(=S)N[C@H]2CCCC[C@H]2C)cn1 ZINC000790147987 739422128 /nfs/dbraw/zinc/42/21/28/739422128.db2.gz OEXFDEUQOCJNGW-ZBFHGGJFSA-N 1 2 363.531 2.541 20 30 FFEDLO CC1=C(Br)C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000797529575 740254624 /nfs/dbraw/zinc/25/46/24/740254624.db2.gz ZTOKQKPYMJFWJS-AWEZNQCLSA-N 1 2 351.244 2.673 20 30 FFEDLO CC1=C(Br)C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000797529575 740254628 /nfs/dbraw/zinc/25/46/28/740254628.db2.gz ZTOKQKPYMJFWJS-AWEZNQCLSA-N 1 2 351.244 2.673 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ncc(C)s2)C1 ZINC000970560657 740752269 /nfs/dbraw/zinc/75/22/69/740752269.db2.gz NYZBGSYMNBECIY-ZVZYQTTQSA-N 1 2 363.527 2.759 20 30 FFEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC000971558721 740787102 /nfs/dbraw/zinc/78/71/02/740787102.db2.gz GLZBHURPXGKWFP-OWCLPIDISA-N 1 2 364.287 2.626 20 30 FFEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC000971558721 740787105 /nfs/dbraw/zinc/78/71/05/740787105.db2.gz GLZBHURPXGKWFP-OWCLPIDISA-N 1 2 364.287 2.626 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2csc(C)n2)CC1(C)C ZINC000974599102 740885322 /nfs/dbraw/zinc/88/53/22/740885322.db2.gz XDLCXIKXCLKFOK-IXDOHACOSA-N 1 2 363.527 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2csc(C)n2)CC1(C)C ZINC000974599102 740885323 /nfs/dbraw/zinc/88/53/23/740885323.db2.gz XDLCXIKXCLKFOK-IXDOHACOSA-N 1 2 363.527 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccnc(Cl)c2)CC1 ZINC000981185899 741139284 /nfs/dbraw/zinc/13/92/84/741139284.db2.gz JNZLWPRPCQMDCB-SJORKVTESA-N 1 2 363.889 2.751 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccnc(Cl)c2)CC1 ZINC000981185899 741139288 /nfs/dbraw/zinc/13/92/88/741139288.db2.gz JNZLWPRPCQMDCB-SJORKVTESA-N 1 2 363.889 2.751 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000981185753 741139321 /nfs/dbraw/zinc/13/93/21/741139321.db2.gz FKWOPEBPMNIYLS-MSOLQXFVSA-N 1 2 359.495 2.635 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000981185753 741139323 /nfs/dbraw/zinc/13/93/23/741139323.db2.gz FKWOPEBPMNIYLS-MSOLQXFVSA-N 1 2 359.495 2.635 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)c2ncc(Br)cn2)cc1 ZINC000809377382 741303280 /nfs/dbraw/zinc/30/32/80/741303280.db2.gz GQZUBUPCCJSWRM-VIFPVBQESA-N 1 2 351.204 2.646 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@H](C)c2csnn2)CC1 ZINC000985695531 741423342 /nfs/dbraw/zinc/42/33/42/741423342.db2.gz XXTGXEULBINSRS-KMFMINBZSA-N 1 2 364.515 2.503 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@H+](C)[C@H](C)c2csnn2)CC1 ZINC000985695531 741423345 /nfs/dbraw/zinc/42/33/45/741423345.db2.gz XXTGXEULBINSRS-KMFMINBZSA-N 1 2 364.515 2.503 20 30 FFEDLO N#Cc1ccc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000813170934 741684699 /nfs/dbraw/zinc/68/46/99/741684699.db2.gz AVKJIRNSRIBAOP-AWEZNQCLSA-N 1 2 357.391 2.959 20 30 FFEDLO N#Cc1ccc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000813170934 741684701 /nfs/dbraw/zinc/68/47/01/741684701.db2.gz AVKJIRNSRIBAOP-AWEZNQCLSA-N 1 2 357.391 2.959 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C)O3)CCC[C@H]12 ZINC000992252946 741746919 /nfs/dbraw/zinc/74/69/19/741746919.db2.gz VNPRVFWHPAZFCY-NYTXWWLZSA-N 1 2 357.292 2.576 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C)O3)CCC[C@H]12 ZINC000992252946 741746923 /nfs/dbraw/zinc/74/69/23/741746923.db2.gz VNPRVFWHPAZFCY-NYTXWWLZSA-N 1 2 357.292 2.576 20 30 FFEDLO NC(=NOCC[C@@H]1CC1(Cl)Cl)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000818077526 742235255 /nfs/dbraw/zinc/23/52/55/742235255.db2.gz PYYFSQZNRFBTMK-OAHLLOKOSA-N 1 2 372.296 2.740 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001014459003 742467063 /nfs/dbraw/zinc/46/70/63/742467063.db2.gz JNPMKXAIWLZHBF-RKVPGOIHSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001014459003 742467066 /nfs/dbraw/zinc/46/70/66/742467066.db2.gz JNPMKXAIWLZHBF-RKVPGOIHSA-N 1 2 350.409 2.637 20 30 FFEDLO C#C[C@H](NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C)c1ccc(Cl)cc1F ZINC000820754971 742545521 /nfs/dbraw/zinc/54/55/21/742545521.db2.gz FQPCDCPGHPLGTB-IGCXYCKISA-N 1 2 367.852 2.562 20 30 FFEDLO C#C[C@H](NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C)c1ccc(Cl)cc1F ZINC000820754971 742545524 /nfs/dbraw/zinc/54/55/24/742545524.db2.gz FQPCDCPGHPLGTB-IGCXYCKISA-N 1 2 367.852 2.562 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001033445078 742892780 /nfs/dbraw/zinc/89/27/80/742892780.db2.gz XLUALQWQNGIVMM-OWCLPIDISA-N 1 2 364.287 2.626 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001033445078 742892789 /nfs/dbraw/zinc/89/27/89/742892789.db2.gz XLUALQWQNGIVMM-OWCLPIDISA-N 1 2 364.287 2.626 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001033838963 742899672 /nfs/dbraw/zinc/89/96/72/742899672.db2.gz VRNCLHIIDQCUBN-ZACQAIPSSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001033838963 742899684 /nfs/dbraw/zinc/89/96/84/742899684.db2.gz VRNCLHIIDQCUBN-ZACQAIPSSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1CC ZINC001039409082 742991194 /nfs/dbraw/zinc/99/11/94/742991194.db2.gz XLNFKSPKUHUOEE-QXSJWSMHSA-N 1 2 371.319 2.775 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1CC ZINC001039409082 742991197 /nfs/dbraw/zinc/99/11/97/742991197.db2.gz XLNFKSPKUHUOEE-QXSJWSMHSA-N 1 2 371.319 2.775 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Br)cc3O)CC2)nc1 ZINC000824556523 743104163 /nfs/dbraw/zinc/10/41/63/743104163.db2.gz WVDFGQRJWRFPIS-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001046320181 743317290 /nfs/dbraw/zinc/31/72/90/743317290.db2.gz PYUIFUREGPEKIT-GJYPPUQNSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001046320181 743317297 /nfs/dbraw/zinc/31/72/97/743317297.db2.gz PYUIFUREGPEKIT-GJYPPUQNSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(=C)Br ZINC001049734369 743483342 /nfs/dbraw/zinc/48/33/42/743483342.db2.gz DGXBOJQIKCTZPZ-FPCVCCKLSA-N 1 2 369.303 2.551 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(=C)Br ZINC001049734369 743483343 /nfs/dbraw/zinc/48/33/43/743483343.db2.gz DGXBOJQIKCTZPZ-FPCVCCKLSA-N 1 2 369.303 2.551 20 30 FFEDLO C#C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000833230551 745779860 /nfs/dbraw/zinc/77/98/60/745779860.db2.gz GGJWWESESRDUJN-UKRRQHHQSA-N 1 2 358.239 2.699 20 30 FFEDLO COc1ccc(CNC(=S)N[NH+]=C2CCCc3cc(N)ccc32)cc1 ZINC000834924614 745925059 /nfs/dbraw/zinc/92/50/59/745925059.db2.gz RFJQCGNYBZWBRT-UHFFFAOYSA-N 1 2 354.479 2.982 20 30 FFEDLO CC(NNc1ccc(S(=O)(=O)NC2CCCC2)c[nH+]1)=C1CC1(F)F ZINC000841618298 747420492 /nfs/dbraw/zinc/42/04/92/747420492.db2.gz RJXLXTHYQCMSED-CYBMUJFWSA-N 1 2 358.414 2.746 20 30 FFEDLO C=CCCn1cc(C[NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)nn1 ZINC000850008075 749282426 /nfs/dbraw/zinc/28/24/26/749282426.db2.gz RNJITZDPBXZPPI-UHFFFAOYSA-N 1 2 354.241 2.889 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Oc3ccccc3F)[C@@H]2C1 ZINC001075826326 971107400 /nfs/dbraw/zinc/10/74/00/971107400.db2.gz XTCIAPHRZUUNRN-IJEWVQPXSA-N 1 2 352.837 2.878 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Oc3ccccc3F)[C@@H]2C1 ZINC001075826326 971107408 /nfs/dbraw/zinc/10/74/08/971107408.db2.gz XTCIAPHRZUUNRN-IJEWVQPXSA-N 1 2 352.837 2.878 20 30 FFEDLO O=C([C@@H]1C[C@H]1c1cccnc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029486555 971704643 /nfs/dbraw/zinc/70/46/43/971704643.db2.gz ZGYDUVOOHDQVEK-GSPCLOLRSA-N 1 2 371.484 2.912 20 30 FFEDLO O=C([C@@H]1C[C@H]1c1cccnc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029486555 971704650 /nfs/dbraw/zinc/70/46/50/971704650.db2.gz ZGYDUVOOHDQVEK-GSPCLOLRSA-N 1 2 371.484 2.912 20 30 FFEDLO CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1cccc(F)c1C#N ZINC001105307625 971833808 /nfs/dbraw/zinc/83/38/08/971833808.db2.gz OZVWBDJKSCLCLL-XNJGSVPQSA-N 1 2 355.417 2.777 20 30 FFEDLO CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1cccc(F)c1C#N ZINC001105307625 971833814 /nfs/dbraw/zinc/83/38/14/971833814.db2.gz OZVWBDJKSCLCLL-XNJGSVPQSA-N 1 2 355.417 2.777 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC3(CC[N@H+]3Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC001275868643 1013117972 /nfs/dbraw/zinc/11/79/72/1013117972.db2.gz RWLOKQDENKQZMT-UHFFFAOYSA-N 1 2 353.466 2.788 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC3(CC[N@@H+]3Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC001275868643 1013117974 /nfs/dbraw/zinc/11/79/74/1013117974.db2.gz RWLOKQDENKQZMT-UHFFFAOYSA-N 1 2 353.466 2.788 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3cn(C(C)(C)C)nn3)CC[C@@H]2C1 ZINC001088066900 972070261 /nfs/dbraw/zinc/07/02/61/972070261.db2.gz FDOYJKKKWBVRFA-CVEARBPZSA-N 1 2 359.518 2.526 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C(C)(C)C)nn3)CC[C@@H]2C1 ZINC001088066900 972070265 /nfs/dbraw/zinc/07/02/65/972070265.db2.gz FDOYJKKKWBVRFA-CVEARBPZSA-N 1 2 359.518 2.526 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(F)cc(F)cc1F ZINC001275913404 1013182417 /nfs/dbraw/zinc/18/24/17/1013182417.db2.gz HSMQJTYAGMCIMY-IAGOWNOFSA-N 1 2 351.372 2.973 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(F)cc(F)cc1F ZINC001275913404 1013182424 /nfs/dbraw/zinc/18/24/24/1013182424.db2.gz HSMQJTYAGMCIMY-IAGOWNOFSA-N 1 2 351.372 2.973 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncc(F)c1)C2 ZINC001095302961 1013199051 /nfs/dbraw/zinc/19/90/51/1013199051.db2.gz QNIVEBWFBGRTON-QYZOEREBSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncc(F)c1)C2 ZINC001095302961 1013199058 /nfs/dbraw/zinc/19/90/58/1013199058.db2.gz QNIVEBWFBGRTON-QYZOEREBSA-N 1 2 350.397 2.628 20 30 FFEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Cl)nc1F)CC2 ZINC001275949658 1013219512 /nfs/dbraw/zinc/21/95/12/1013219512.db2.gz PTDVQKUROMWDNN-CQSZACIVSA-N 1 2 364.852 2.896 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(C#N)cc2Br)C1=O ZINC001275979994 1013254942 /nfs/dbraw/zinc/25/49/42/1013254942.db2.gz MRIWHSCBPRGMCA-GOSISDBHSA-N 1 2 372.266 2.521 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C#N)cc2Br)C1=O ZINC001275979994 1013254953 /nfs/dbraw/zinc/25/49/53/1013254953.db2.gz MRIWHSCBPRGMCA-GOSISDBHSA-N 1 2 372.266 2.521 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095427193 1013338297 /nfs/dbraw/zinc/33/82/97/1013338297.db2.gz OCLUDDGADYBJSJ-SYAJIYQZSA-N 1 2 367.493 2.841 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095427193 1013338302 /nfs/dbraw/zinc/33/83/02/1013338302.db2.gz OCLUDDGADYBJSJ-SYAJIYQZSA-N 1 2 367.493 2.841 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)CCCCC1 ZINC001110177210 1013357052 /nfs/dbraw/zinc/35/70/52/1013357052.db2.gz GSLJLZSXCDVZKQ-SQNIBIBYSA-N 1 2 373.541 2.596 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)CCCCC1 ZINC001110177210 1013357066 /nfs/dbraw/zinc/35/70/66/1013357066.db2.gz GSLJLZSXCDVZKQ-SQNIBIBYSA-N 1 2 373.541 2.596 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C[C@H](C)n4cc[nH+]c4)[C@@H]3C2)CC1 ZINC001021663029 962875129 /nfs/dbraw/zinc/87/51/29/962875129.db2.gz SMXYWEQHJSDLRM-YTQUADARSA-N 1 2 370.497 2.640 20 30 FFEDLO CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(C#N)cc1F)C2 ZINC001276083098 1013424487 /nfs/dbraw/zinc/42/44/87/1013424487.db2.gz MOEMGZWMXHZONH-YWZLYKJASA-N 1 2 359.445 2.547 20 30 FFEDLO CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(C#N)cc1F)C2 ZINC001276083098 1013424493 /nfs/dbraw/zinc/42/44/93/1013424493.db2.gz MOEMGZWMXHZONH-YWZLYKJASA-N 1 2 359.445 2.547 20 30 FFEDLO C=C(C(=O)N1CC[C@H]2C[N@H+](Cc3nc4ccccc4[nH]3)C[C@H]21)C(F)(F)F ZINC001270007858 964535067 /nfs/dbraw/zinc/53/50/67/964535067.db2.gz GIXDKJZIRNZWCP-SWLSCSKDSA-N 1 2 364.371 2.714 20 30 FFEDLO C=C(C(=O)N1CC[C@H]2C[N@@H+](Cc3nc4ccccc4[nH]3)C[C@H]21)C(F)(F)F ZINC001270007858 964535078 /nfs/dbraw/zinc/53/50/78/964535078.db2.gz GIXDKJZIRNZWCP-SWLSCSKDSA-N 1 2 364.371 2.714 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001111489826 964806449 /nfs/dbraw/zinc/80/64/49/964806449.db2.gz LWXBALZHXJUEEA-QVSURHGTSA-N 1 2 357.429 2.510 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001111489826 964806458 /nfs/dbraw/zinc/80/64/58/964806458.db2.gz LWXBALZHXJUEEA-QVSURHGTSA-N 1 2 357.429 2.510 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001112149603 965953284 /nfs/dbraw/zinc/95/32/84/965953284.db2.gz KQZGIHRWEVZVAL-NWANDNLSSA-N 1 2 358.408 2.501 20 30 FFEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000134952306 966141249 /nfs/dbraw/zinc/14/12/49/966141249.db2.gz JSOJZJFDLISHHO-SFHVURJKSA-N 1 2 373.928 2.710 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(-c3ccco3)on2)C1 ZINC000972372763 966868587 /nfs/dbraw/zinc/86/85/87/966868587.db2.gz HWMNQZGRZSRQOX-ZACQAIPSSA-N 1 2 371.437 2.558 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccco3)on2)C1 ZINC000972372763 966868593 /nfs/dbraw/zinc/86/85/93/966868593.db2.gz HWMNQZGRZSRQOX-ZACQAIPSSA-N 1 2 371.437 2.558 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)n2C)[C@H]1CC ZINC001087500051 967116512 /nfs/dbraw/zinc/11/65/12/967116512.db2.gz XWKAWIQXDSEDEA-UONOGXRCSA-N 1 2 354.292 2.825 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)n2C)[C@H]1CC ZINC001087500051 967116520 /nfs/dbraw/zinc/11/65/20/967116520.db2.gz XWKAWIQXDSEDEA-UONOGXRCSA-N 1 2 354.292 2.825 20 30 FFEDLO CC[C@H](CO)Nc1cc(N2CCC(Oc3cccc(C#N)c3)CC2)nc[nH+]1 ZINC000892333089 967419410 /nfs/dbraw/zinc/41/94/10/967419410.db2.gz GBAPHJZDSJENNV-MRXNPFEDSA-N 1 2 367.453 2.579 20 30 FFEDLO CC[C@H](CO)Nc1cc(N2CCC(Oc3cccc(C#N)c3)CC2)[nH+]cn1 ZINC000892333089 967419419 /nfs/dbraw/zinc/41/94/19/967419419.db2.gz GBAPHJZDSJENNV-MRXNPFEDSA-N 1 2 367.453 2.579 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)Cc2cc(C)on2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087523826 967643984 /nfs/dbraw/zinc/64/39/84/967643984.db2.gz OIZJCBMEMZXHLX-RBUKOAKNSA-N 1 2 370.428 2.706 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)Cc2cc(C)on2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087523826 967643991 /nfs/dbraw/zinc/64/39/91/967643991.db2.gz OIZJCBMEMZXHLX-RBUKOAKNSA-N 1 2 370.428 2.706 20 30 FFEDLO Cc1noc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2c2ccccc2)n1 ZINC001211595259 967662348 /nfs/dbraw/zinc/66/23/48/967662348.db2.gz PWHDRVPUMREVTK-ZWKOTPCHSA-N 1 2 366.465 2.512 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029402820 968183244 /nfs/dbraw/zinc/18/32/44/968183244.db2.gz ZQEYZIRSBDHBFF-WCIQWLHISA-N 1 2 353.466 2.549 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029402820 968183253 /nfs/dbraw/zinc/18/32/53/968183253.db2.gz ZQEYZIRSBDHBFF-WCIQWLHISA-N 1 2 353.466 2.549 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc3ccccc3c2O)[C@H]1CC ZINC001087637907 968446396 /nfs/dbraw/zinc/44/63/96/968446396.db2.gz QEMLGLAHVSOIMG-DLBZAZTESA-N 1 2 359.857 2.863 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc3ccccc3c2O)[C@H]1CC ZINC001087637907 968446404 /nfs/dbraw/zinc/44/64/04/968446404.db2.gz QEMLGLAHVSOIMG-DLBZAZTESA-N 1 2 359.857 2.863 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001058568958 968483848 /nfs/dbraw/zinc/48/38/48/968483848.db2.gz NZZWMSDSWIBJQJ-LNLFQRSKSA-N 1 2 370.497 2.729 20 30 FFEDLO COC(=O)c1scc(C#N)c1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176958332 1013812581 /nfs/dbraw/zinc/81/25/81/1013812581.db2.gz UINCDGHBSXXCLK-GFCCVEGCSA-N 1 2 370.434 2.656 20 30 FFEDLO COc1cc(C#N)c(F)cc1NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176967495 1013816202 /nfs/dbraw/zinc/81/62/02/1013816202.db2.gz OHCGBAOIASQCDN-ZDUSSCGKSA-N 1 2 354.385 2.956 20 30 FFEDLO C[C@@H](C#N)Oc1ccc(CNc2cccc(CN3CCOCC3)[nH+]2)cc1 ZINC000179450676 968782568 /nfs/dbraw/zinc/78/25/68/968782568.db2.gz RUEJDXNPHMCYIA-INIZCTEOSA-N 1 2 352.438 2.817 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2nccs2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001087771502 968982788 /nfs/dbraw/zinc/98/27/88/968982788.db2.gz INXLZMZBQXYGCV-JKSUJKDBSA-N 1 2 358.442 2.937 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2nccs2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001087771502 968982793 /nfs/dbraw/zinc/98/27/93/968982793.db2.gz INXLZMZBQXYGCV-JKSUJKDBSA-N 1 2 358.442 2.937 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nc3ccccn3c2F)[C@H]1CC ZINC001087783853 969064833 /nfs/dbraw/zinc/06/48/33/969064833.db2.gz YBHGEHYJVIIKBX-QWHCGFSZSA-N 1 2 350.825 2.809 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nc3ccccn3c2F)[C@H]1CC ZINC001087783853 969064843 /nfs/dbraw/zinc/06/48/43/969064843.db2.gz YBHGEHYJVIIKBX-QWHCGFSZSA-N 1 2 350.825 2.809 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(CC#N)c1 ZINC001177085872 1013848503 /nfs/dbraw/zinc/84/85/03/1013848503.db2.gz BONKUQAQPIQWHT-MRXNPFEDSA-N 1 2 369.425 2.550 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(CC#N)c1 ZINC001177085872 1013848512 /nfs/dbraw/zinc/84/85/12/1013848512.db2.gz BONKUQAQPIQWHT-MRXNPFEDSA-N 1 2 369.425 2.550 20 30 FFEDLO C#CCC[NH+]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000065945116 969169073 /nfs/dbraw/zinc/16/90/73/969169073.db2.gz GFHUFFGLANXNRR-UHFFFAOYSA-N 1 2 363.417 2.971 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nocc1C ZINC001024702197 969261812 /nfs/dbraw/zinc/26/18/12/969261812.db2.gz ZTLXKQZAYREMEX-LNLFQRSKSA-N 1 2 361.486 2.825 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1nocc1C ZINC001024702197 969261821 /nfs/dbraw/zinc/26/18/21/969261821.db2.gz ZTLXKQZAYREMEX-LNLFQRSKSA-N 1 2 361.486 2.825 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2ncc(CC)o2)[C@@H]1CC ZINC001087810954 970324101 /nfs/dbraw/zinc/32/41/01/970324101.db2.gz SWMNUXZVOXIVMQ-VQTJNVASSA-N 1 2 365.477 2.930 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2ncc(CC)o2)[C@@H]1CC ZINC001087810954 970324115 /nfs/dbraw/zinc/32/41/15/970324115.db2.gz SWMNUXZVOXIVMQ-VQTJNVASSA-N 1 2 365.477 2.930 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C/C(Cl)=C/Cl)CC[C@@H]2C1 ZINC001088113183 972866643 /nfs/dbraw/zinc/86/66/43/972866643.db2.gz SDBAWUZAOWDGKI-MPPZGWHCSA-N 1 2 359.297 2.677 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C/C(Cl)=C/Cl)CC[C@@H]2C1 ZINC001088113183 972866661 /nfs/dbraw/zinc/86/66/61/972866661.db2.gz SDBAWUZAOWDGKI-MPPZGWHCSA-N 1 2 359.297 2.677 20 30 FFEDLO C=C(C)[C@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)c(F)c1 ZINC000661036828 973436200 /nfs/dbraw/zinc/43/62/00/973436200.db2.gz NBIBHJOCBSTSME-YJBOKZPZSA-N 1 2 365.424 2.698 20 30 FFEDLO CCc1ncsc1C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075861193 974317217 /nfs/dbraw/zinc/31/72/17/974317217.db2.gz PBGMBGKIGZSKMB-PKOBYXMFSA-N 1 2 365.502 2.904 20 30 FFEDLO CCc1ncsc1C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075861193 974317225 /nfs/dbraw/zinc/31/72/25/974317225.db2.gz PBGMBGKIGZSKMB-PKOBYXMFSA-N 1 2 365.502 2.904 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)on2)CC1(C)C ZINC000977271597 974719318 /nfs/dbraw/zinc/71/93/18/974719318.db2.gz GYUPCLZBYHLKRZ-KSZLIROESA-N 1 2 361.486 2.681 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)on2)CC1(C)C ZINC000977271597 974719319 /nfs/dbraw/zinc/71/93/19/974719319.db2.gz GYUPCLZBYHLKRZ-KSZLIROESA-N 1 2 361.486 2.681 20 30 FFEDLO C#CC[C@@H]1CCCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000843676198 974776700 /nfs/dbraw/zinc/77/67/00/974776700.db2.gz RQCICKVANRXJKA-QGZVFWFLSA-N 1 2 364.449 2.787 20 30 FFEDLO CS[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075573255 975001088 /nfs/dbraw/zinc/00/10/88/975001088.db2.gz HWRWGEIQNYRXAH-QILLFSRXSA-N 1 2 362.926 2.976 20 30 FFEDLO CS[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075573255 975001093 /nfs/dbraw/zinc/00/10/93/975001093.db2.gz HWRWGEIQNYRXAH-QILLFSRXSA-N 1 2 362.926 2.976 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2nc(C)oc2C)C1 ZINC001027612779 975032394 /nfs/dbraw/zinc/03/23/94/975032394.db2.gz PBFQGUWJZOGBFJ-LNLFQRSKSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2nc(C)oc2C)C1 ZINC001027612779 975032403 /nfs/dbraw/zinc/03/24/03/975032403.db2.gz PBFQGUWJZOGBFJ-LNLFQRSKSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001087424336 975110622 /nfs/dbraw/zinc/11/06/22/975110622.db2.gz URMWWIAANVOIRO-QZTJIDSGSA-N 1 2 358.873 2.679 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001087424336 975110624 /nfs/dbraw/zinc/11/06/24/975110624.db2.gz URMWWIAANVOIRO-QZTJIDSGSA-N 1 2 358.873 2.679 20 30 FFEDLO C#CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)cc1 ZINC000163537159 975574849 /nfs/dbraw/zinc/57/48/49/975574849.db2.gz ZNCBNLDHHXTXGN-UHFFFAOYSA-N 1 2 364.445 2.665 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnc3cnccc3c2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088749609 975756768 /nfs/dbraw/zinc/75/67/68/975756768.db2.gz FCDZWHUZCPFSKY-QRWLVFNGSA-N 1 2 371.444 2.894 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnc3cnccc3c2)CC[N@H+]1Cc1ccccc1C#N ZINC001088749609 975756777 /nfs/dbraw/zinc/75/67/77/975756777.db2.gz FCDZWHUZCPFSKY-QRWLVFNGSA-N 1 2 371.444 2.894 20 30 FFEDLO CCCc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)[nH]n1 ZINC001088785072 976200704 /nfs/dbraw/zinc/20/07/04/976200704.db2.gz KAZBADAOFSUVSL-ACJLOTCBSA-N 1 2 369.444 2.766 20 30 FFEDLO CCCc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)[nH]n1 ZINC001088785072 976200718 /nfs/dbraw/zinc/20/07/18/976200718.db2.gz KAZBADAOFSUVSL-ACJLOTCBSA-N 1 2 369.444 2.766 20 30 FFEDLO COc1cc(C[NH+]2CC(C)(c3nnc(C4CCOCC4)o3)C2)ccc1C#N ZINC000828035739 976341356 /nfs/dbraw/zinc/34/13/56/976341356.db2.gz LFWDCLWKRYTBRF-UHFFFAOYSA-N 1 2 368.437 2.617 20 30 FFEDLO CCN(CC)C(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000796561507 1014322959 /nfs/dbraw/zinc/32/29/59/1014322959.db2.gz KTXOBKPTPOHIRL-SFHVURJKSA-N 1 2 372.469 2.830 20 30 FFEDLO CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000796561507 1014322971 /nfs/dbraw/zinc/32/29/71/1014322971.db2.gz KTXOBKPTPOHIRL-SFHVURJKSA-N 1 2 372.469 2.830 20 30 FFEDLO CN(C)c1ccc(C#N)cc1C[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000876645487 1014336676 /nfs/dbraw/zinc/33/66/76/1014336676.db2.gz KSSUFVKLRXCYIN-UHFFFAOYSA-N 1 2 374.439 2.534 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ncc(CC)o1 ZINC001028188789 977065791 /nfs/dbraw/zinc/06/57/91/977065791.db2.gz IXBXQTLMFKJPTO-AYBZRNKSSA-N 1 2 361.486 2.689 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ncc(CC)o1 ZINC001028188789 977065795 /nfs/dbraw/zinc/06/57/95/977065795.db2.gz IXBXQTLMFKJPTO-AYBZRNKSSA-N 1 2 361.486 2.689 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](Cc1coc(C3CC3)n1)C2 ZINC000982023626 977138939 /nfs/dbraw/zinc/13/89/39/977138939.db2.gz OOIZMXUNIUDDTD-MSOLQXFVSA-N 1 2 371.481 2.568 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC000982023626 977138946 /nfs/dbraw/zinc/13/89/46/977138946.db2.gz OOIZMXUNIUDDTD-MSOLQXFVSA-N 1 2 371.481 2.568 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000982173449 977323310 /nfs/dbraw/zinc/32/33/10/977323310.db2.gz MZFLXJDABBBVEH-ICSRJNTNSA-N 1 2 371.456 2.713 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000982173449 977323316 /nfs/dbraw/zinc/32/33/16/977323316.db2.gz MZFLXJDABBBVEH-ICSRJNTNSA-N 1 2 371.456 2.713 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCF)CC[C@@H]1c1cccc(F)c1 ZINC001087458856 977933241 /nfs/dbraw/zinc/93/32/41/977933241.db2.gz ZCNMEJZAJXTRPU-MKXGPGLRSA-N 1 2 364.436 2.660 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCF)CC[C@@H]1c1cccc(F)c1 ZINC001087458856 977933246 /nfs/dbraw/zinc/93/32/46/977933246.db2.gz ZCNMEJZAJXTRPU-MKXGPGLRSA-N 1 2 364.436 2.660 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccc(OC)o2)C1 ZINC001087459033 977956470 /nfs/dbraw/zinc/95/64/70/977956470.db2.gz IKKFALQBGJHILI-IAGOWNOFSA-N 1 2 356.397 2.648 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccc(OC)o2)C1 ZINC001087459033 977956475 /nfs/dbraw/zinc/95/64/75/977956475.db2.gz IKKFALQBGJHILI-IAGOWNOFSA-N 1 2 356.397 2.648 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)C2CC2)CCCC1 ZINC001111522716 978302852 /nfs/dbraw/zinc/30/28/52/978302852.db2.gz JEIKYSCZGJVABG-AITUJVMLSA-N 1 2 373.541 2.759 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)C2CC2)CCCC1 ZINC001111522716 978302860 /nfs/dbraw/zinc/30/28/60/978302860.db2.gz JEIKYSCZGJVABG-AITUJVMLSA-N 1 2 373.541 2.759 20 30 FFEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]21 ZINC001076500717 979592092 /nfs/dbraw/zinc/59/20/92/979592092.db2.gz MOWWBAVHIMFAJE-AZUAARDMSA-N 1 2 365.502 2.708 20 30 FFEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@H+](Cc3csc(C)n3)C[C@H]21 ZINC001076500717 979592097 /nfs/dbraw/zinc/59/20/97/979592097.db2.gz MOWWBAVHIMFAJE-AZUAARDMSA-N 1 2 365.502 2.708 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1Cc1coc(C)n1 ZINC000968861627 1014591153 /nfs/dbraw/zinc/59/11/53/1014591153.db2.gz PRRQZGYGSJRAPT-QRVBRYPASA-N 1 2 361.486 2.825 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1coc(C)n1 ZINC000968861627 1014591162 /nfs/dbraw/zinc/59/11/62/1014591162.db2.gz PRRQZGYGSJRAPT-QRVBRYPASA-N 1 2 361.486 2.825 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4cc(C)c(C)cc4O3)[C@@H]2C1 ZINC001076594471 979691320 /nfs/dbraw/zinc/69/13/20/979691320.db2.gz NUZRQSDVFYBNJQ-WDYCEAGBSA-N 1 2 360.885 2.892 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4cc(C)c(C)cc4O3)[C@@H]2C1 ZINC001076594471 979691324 /nfs/dbraw/zinc/69/13/24/979691324.db2.gz NUZRQSDVFYBNJQ-WDYCEAGBSA-N 1 2 360.885 2.892 20 30 FFEDLO Cc1ncsc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088480766 979793682 /nfs/dbraw/zinc/79/36/82/979793682.db2.gz VLWWPBSXWCHZDV-WBMJQRKESA-N 1 2 358.442 2.855 20 30 FFEDLO Cc1ncsc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088480766 979793686 /nfs/dbraw/zinc/79/36/86/979793686.db2.gz VLWWPBSXWCHZDV-WBMJQRKESA-N 1 2 358.442 2.855 20 30 FFEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000668182880 979879966 /nfs/dbraw/zinc/87/99/66/979879966.db2.gz QPIMYOXGFWRSPS-HNAYVOBHSA-N 1 2 361.461 2.502 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccncc2F)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088504414 980196524 /nfs/dbraw/zinc/19/65/24/980196524.db2.gz ISPNHVZTGOFWEU-XIKOKIGWSA-N 1 2 356.376 2.624 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccncc2F)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088504414 980196527 /nfs/dbraw/zinc/19/65/27/980196527.db2.gz ISPNHVZTGOFWEU-XIKOKIGWSA-N 1 2 356.376 2.624 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000987066077 980479122 /nfs/dbraw/zinc/47/91/22/980479122.db2.gz FJXJKZLQRVKGCH-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000987066077 980479125 /nfs/dbraw/zinc/47/91/25/980479125.db2.gz FJXJKZLQRVKGCH-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C#CC[C@@H](COC)[NH2+]Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1 ZINC000877661642 1014666251 /nfs/dbraw/zinc/66/62/51/1014666251.db2.gz GBQFNCOLLCJMHI-HNNXBMFYSA-N 1 2 373.478 2.964 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2COc3cc(F)ccc3C2)[C@H]1C ZINC001088565064 981127742 /nfs/dbraw/zinc/12/77/42/981127742.db2.gz BLHOLIZHRISIPM-XPKDYRNWSA-N 1 2 352.837 2.708 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COc3cc(F)ccc3C2)[C@H]1C ZINC001088565064 981127744 /nfs/dbraw/zinc/12/77/44/981127744.db2.gz BLHOLIZHRISIPM-XPKDYRNWSA-N 1 2 352.837 2.708 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C(C)C)o2)[C@@H]1C ZINC001088576269 981265290 /nfs/dbraw/zinc/26/52/90/981265290.db2.gz FZIGLHLZRUSOGJ-NCOADZHNSA-N 1 2 361.486 2.858 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncc(C(C)C)o2)[C@@H]1C ZINC001088576269 981265294 /nfs/dbraw/zinc/26/52/94/981265294.db2.gz FZIGLHLZRUSOGJ-NCOADZHNSA-N 1 2 361.486 2.858 20 30 FFEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3ccsc3C#N)c2)CC1 ZINC000907588391 981268576 /nfs/dbraw/zinc/26/85/76/981268576.db2.gz LBXJEQPFJDGCNW-UHFFFAOYSA-N 1 2 368.462 2.536 20 30 FFEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001212008857 981453566 /nfs/dbraw/zinc/45/35/66/981453566.db2.gz HTMQPPJWQXBLAC-GDIGMMSISA-N 1 2 361.461 2.839 20 30 FFEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001212008857 981453569 /nfs/dbraw/zinc/45/35/69/981453569.db2.gz HTMQPPJWQXBLAC-GDIGMMSISA-N 1 2 361.461 2.839 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(OC)c2)C[C@H]1OC ZINC001212022191 981458016 /nfs/dbraw/zinc/45/80/16/981458016.db2.gz FDXXPMQPVHCBHS-NVXWUHKLSA-N 1 2 352.862 2.630 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)c(OC)c2)C[C@H]1OC ZINC001212022191 981458018 /nfs/dbraw/zinc/45/80/18/981458018.db2.gz FDXXPMQPVHCBHS-NVXWUHKLSA-N 1 2 352.862 2.630 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@H]1OC ZINC001212036060 981464266 /nfs/dbraw/zinc/46/42/66/981464266.db2.gz HIXHPVGJDZQFOF-CSMYWGQOSA-N 1 2 370.852 2.558 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@H]1OC ZINC001212036060 981464269 /nfs/dbraw/zinc/46/42/69/981464269.db2.gz HIXHPVGJDZQFOF-CSMYWGQOSA-N 1 2 370.852 2.558 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)CCC1CCC1 ZINC001212100434 981651066 /nfs/dbraw/zinc/65/10/66/981651066.db2.gz LGGIKUAHZVJFTJ-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)CCC1CCC1 ZINC001212100434 981651068 /nfs/dbraw/zinc/65/10/68/981651068.db2.gz LGGIKUAHZVJFTJ-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000909255363 981665700 /nfs/dbraw/zinc/66/57/00/981665700.db2.gz JVERSJGVKPWOSQ-INIZCTEOSA-N 1 2 368.485 2.834 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](CC(=C)Br)[C@@H]1C ZINC001088623804 982000730 /nfs/dbraw/zinc/00/07/30/982000730.db2.gz VZYLBLXKWLKUEB-KGLIPLIRSA-N 1 2 352.276 2.775 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](CC(=C)Br)[C@@H]1C ZINC001088623804 982000738 /nfs/dbraw/zinc/00/07/38/982000738.db2.gz VZYLBLXKWLKUEB-KGLIPLIRSA-N 1 2 352.276 2.775 20 30 FFEDLO CCc1[nH]nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)c1Cl ZINC001088629050 982020717 /nfs/dbraw/zinc/02/07/17/982020717.db2.gz ACSSSSFZZRGMLY-WBMJQRKESA-N 1 2 371.872 2.890 20 30 FFEDLO CCc1[nH]nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)c1Cl ZINC001088629050 982020727 /nfs/dbraw/zinc/02/07/27/982020727.db2.gz ACSSSSFZZRGMLY-WBMJQRKESA-N 1 2 371.872 2.890 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000910778685 982059534 /nfs/dbraw/zinc/05/95/34/982059534.db2.gz ZHWLUWUFLYBKRI-UHFFFAOYSA-N 1 2 360.461 2.725 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)c1 ZINC000910778685 982059542 /nfs/dbraw/zinc/05/95/42/982059542.db2.gz ZHWLUWUFLYBKRI-UHFFFAOYSA-N 1 2 360.461 2.725 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)[C@@H](C)C3CCC3)[C@H]2C)c1 ZINC001088655384 982204198 /nfs/dbraw/zinc/20/41/98/982204198.db2.gz WQMMVUOQSFLZQK-YRNRMSPPSA-N 1 2 367.493 2.622 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)C3CCC3)[C@H]2C)c1 ZINC001088655384 982204208 /nfs/dbraw/zinc/20/42/08/982204208.db2.gz WQMMVUOQSFLZQK-YRNRMSPPSA-N 1 2 367.493 2.622 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2nccc(C(C)C)n2)CC1 ZINC000185816450 984031226 /nfs/dbraw/zinc/03/12/26/984031226.db2.gz MRYMOXRTNOLKDV-KRWDZBQOSA-N 1 2 359.518 2.535 20 30 FFEDLO CCOc1ccc(O)c(C=[NH+]CCCN2C(=O)NC3(CCCCC3)C2=O)c1 ZINC000912782326 984118242 /nfs/dbraw/zinc/11/82/42/984118242.db2.gz KQOVOZSPWCBQLE-KGENOOAVSA-N 1 2 373.453 2.855 20 30 FFEDLO C=CCn1c(C(C)C)nnc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000669071410 984204423 /nfs/dbraw/zinc/20/44/23/984204423.db2.gz WMVUCIHCZIHBHX-MOPGFXCFSA-N 1 2 367.497 2.677 20 30 FFEDLO C=CCn1c(C(C)C)nnc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000669071410 984204429 /nfs/dbraw/zinc/20/44/29/984204429.db2.gz WMVUCIHCZIHBHX-MOPGFXCFSA-N 1 2 367.497 2.677 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)COc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000764062969 984266102 /nfs/dbraw/zinc/26/61/02/984266102.db2.gz ABRIGWYWCKCASC-UYAOXDASSA-N 1 2 371.387 2.777 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)COc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000764062969 984266105 /nfs/dbraw/zinc/26/61/05/984266105.db2.gz ABRIGWYWCKCASC-UYAOXDASSA-N 1 2 371.387 2.777 20 30 FFEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncc(Cl)n1C)CC2 ZINC001107326829 984454995 /nfs/dbraw/zinc/45/49/95/984454995.db2.gz JJCLYJKMSVUNAF-RDTXWAMCSA-N 1 2 350.894 2.901 20 30 FFEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncc(Cl)n1C)CC2 ZINC001107326829 984454999 /nfs/dbraw/zinc/45/49/99/984454999.db2.gz JJCLYJKMSVUNAF-RDTXWAMCSA-N 1 2 350.894 2.901 20 30 FFEDLO C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncc(Cl)s1)CC2 ZINC001107335919 984460728 /nfs/dbraw/zinc/46/07/28/984460728.db2.gz FPSDZVNFJHYDBC-XHBSWPGZSA-N 1 2 352.891 2.817 20 30 FFEDLO C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncc(Cl)s1)CC2 ZINC001107335919 984460732 /nfs/dbraw/zinc/46/07/32/984460732.db2.gz FPSDZVNFJHYDBC-XHBSWPGZSA-N 1 2 352.891 2.817 20 30 FFEDLO C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncc(Cl)n1C)CC2 ZINC001107383797 984493813 /nfs/dbraw/zinc/49/38/13/984493813.db2.gz HFDFYYWVWCQGLE-DNVCBOLYSA-N 1 2 362.905 2.738 20 30 FFEDLO C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncc(Cl)n1C)CC2 ZINC001107383797 984493814 /nfs/dbraw/zinc/49/38/14/984493814.db2.gz HFDFYYWVWCQGLE-DNVCBOLYSA-N 1 2 362.905 2.738 20 30 FFEDLO CC(C)c1nnc(C[N@@H+]2CC[C@@]3(CNC(=O)C#CC(C)(C)C)CCC[C@@H]23)[nH]1 ZINC001107399624 984506936 /nfs/dbraw/zinc/50/69/36/984506936.db2.gz ADZXNJCDWWWFMI-IIBYNOLFSA-N 1 2 371.529 2.838 20 30 FFEDLO CC(C)c1nnc(C[N@H+]2CC[C@@]3(CNC(=O)C#CC(C)(C)C)CCC[C@@H]23)[nH]1 ZINC001107399624 984506942 /nfs/dbraw/zinc/50/69/42/984506942.db2.gz ADZXNJCDWWWFMI-IIBYNOLFSA-N 1 2 371.529 2.838 20 30 FFEDLO C[C@H]1CC[C@@](C)(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)C1(C)C ZINC001077780333 985250581 /nfs/dbraw/zinc/25/05/81/985250581.db2.gz KREUWJLWIQLZCT-CLWLKPMESA-N 1 2 368.521 2.662 20 30 FFEDLO C[C@H]1CC[C@@](C)(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)C1(C)C ZINC001077780333 985250596 /nfs/dbraw/zinc/25/05/96/985250596.db2.gz KREUWJLWIQLZCT-CLWLKPMESA-N 1 2 368.521 2.662 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnoc2C2CC2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088953274 985595797 /nfs/dbraw/zinc/59/57/97/985595797.db2.gz KVNSDDMXSFJJIQ-ACJLOTCBSA-N 1 2 350.422 2.816 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnoc2C2CC2)CC[N@H+]1Cc1ccccc1C#N ZINC001088953274 985595810 /nfs/dbraw/zinc/59/58/10/985595810.db2.gz KVNSDDMXSFJJIQ-ACJLOTCBSA-N 1 2 350.422 2.816 20 30 FFEDLO CCOc1ccc(CN(C)C(=O)CO[NH+]=C(N)c2ccc(F)c(C)c2)cc1 ZINC000063457662 985835362 /nfs/dbraw/zinc/83/53/62/985835362.db2.gz WVLCJYNGXGRSOP-UHFFFAOYSA-N 1 2 373.428 2.828 20 30 FFEDLO Cc1nnc([C@@H](C)O[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)o1 ZINC000174131467 986095669 /nfs/dbraw/zinc/09/56/69/986095669.db2.gz YHUBZTOPRARQNX-GFCCVEGCSA-N 1 2 353.382 2.750 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[C@H]1C ZINC001089069260 986178755 /nfs/dbraw/zinc/17/87/55/986178755.db2.gz VGHRWRIKMUXBMG-FFNDWZFNSA-N 1 2 353.304 2.766 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[C@H]1C ZINC001089069260 986178759 /nfs/dbraw/zinc/17/87/59/986178759.db2.gz VGHRWRIKMUXBMG-FFNDWZFNSA-N 1 2 353.304 2.766 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(Cc3nc([C@@H]4C[C@@H]4C)no3)CC2)nn1 ZINC000653779193 986490468 /nfs/dbraw/zinc/49/04/68/986490468.db2.gz PIOBPKXZRTXJOE-WMLDXEAASA-N 1 2 356.474 2.815 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(Cc3nc([C@H]4C[C@H]4C)no3)CC2)nn1 ZINC000653779188 986490485 /nfs/dbraw/zinc/49/04/85/986490485.db2.gz PIOBPKXZRTXJOE-PBHICJAKSA-N 1 2 356.474 2.815 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cc(F)ccc1C#N)CC2 ZINC000992212946 986532203 /nfs/dbraw/zinc/53/22/03/986532203.db2.gz ZMYSAVZXKQFAAM-MMCAFHBRSA-N 1 2 371.456 2.736 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1cc(F)ccc1C#N)CC2 ZINC000992212946 986532208 /nfs/dbraw/zinc/53/22/08/986532208.db2.gz ZMYSAVZXKQFAAM-MMCAFHBRSA-N 1 2 371.456 2.736 20 30 FFEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)nn1 ZINC000657298138 987901115 /nfs/dbraw/zinc/90/11/15/987901115.db2.gz SSBKVKUGXARVCV-UHFFFAOYSA-N 1 2 353.470 2.770 20 30 FFEDLO C=C1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C3)CC1 ZINC001003692488 988223180 /nfs/dbraw/zinc/22/31/80/988223180.db2.gz ODRPCZMDGZDMTI-VDCDIQELSA-N 1 2 368.481 2.508 20 30 FFEDLO C=C1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C3)CC1 ZINC001003692488 988223188 /nfs/dbraw/zinc/22/31/88/988223188.db2.gz ODRPCZMDGZDMTI-VDCDIQELSA-N 1 2 368.481 2.508 20 30 FFEDLO C[C@H](CCNc1nc(Cl)c(C#N)s1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001106625322 988537719 /nfs/dbraw/zinc/53/77/19/988537719.db2.gz JAJSXUXDXIBFFT-OPRDCNLKSA-N 1 2 364.862 2.502 20 30 FFEDLO C[C@H](CCNc1nc(Cl)c(C#N)s1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001106625322 988537727 /nfs/dbraw/zinc/53/77/27/988537727.db2.gz JAJSXUXDXIBFFT-OPRDCNLKSA-N 1 2 364.862 2.502 20 30 FFEDLO CO[C@H]1C[C@H]2C[N@H+](Cc3cccc(C#N)c3F)Cc3cccnc3N2C1 ZINC000879268803 1015448742 /nfs/dbraw/zinc/44/87/42/1015448742.db2.gz GMSNYGRKCFDJJX-ROUUACIJSA-N 1 2 352.413 2.702 20 30 FFEDLO CO[C@H]1C[C@H]2C[N@@H+](Cc3cccc(C#N)c3F)Cc3cccnc3N2C1 ZINC000879268803 1015448750 /nfs/dbraw/zinc/44/87/50/1015448750.db2.gz GMSNYGRKCFDJJX-ROUUACIJSA-N 1 2 352.413 2.702 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[C@H]3CCC)C2)c1 ZINC001033402300 989570192 /nfs/dbraw/zinc/57/01/92/989570192.db2.gz NKAVKJKBZUEWMF-MISYRCLQSA-N 1 2 367.493 2.575 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[C@H]3CCC)C2)c1 ZINC001033402300 989570199 /nfs/dbraw/zinc/57/01/99/989570199.db2.gz NKAVKJKBZUEWMF-MISYRCLQSA-N 1 2 367.493 2.575 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033496840 989624504 /nfs/dbraw/zinc/62/45/04/989624504.db2.gz HSQHNRGVPPXEPJ-AABGKKOBSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033496840 989624510 /nfs/dbraw/zinc/62/45/10/989624510.db2.gz HSQHNRGVPPXEPJ-AABGKKOBSA-N 1 2 371.456 2.711 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3cc(F)ccc3C#N)C2)O1 ZINC001034405567 990060669 /nfs/dbraw/zinc/06/06/69/990060669.db2.gz FUHUCUIYHQCFQP-MDASCCDHSA-N 1 2 359.445 2.736 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3cc(F)ccc3C#N)C2)O1 ZINC001034405567 990060674 /nfs/dbraw/zinc/06/06/74/990060674.db2.gz FUHUCUIYHQCFQP-MDASCCDHSA-N 1 2 359.445 2.736 20 30 FFEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000918276753 990364765 /nfs/dbraw/zinc/36/47/65/990364765.db2.gz VXULZOQXGANWFY-OAHLLOKOSA-N 1 2 373.844 2.578 20 30 FFEDLO C[C@H](NC(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000920875902 990929089 /nfs/dbraw/zinc/92/90/89/990929089.db2.gz TXZULNRUPZAPFT-ULQDDVLXSA-N 1 2 366.469 2.561 20 30 FFEDLO C=CCCN(OCc1ccccc1)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000187152028 991080695 /nfs/dbraw/zinc/08/06/95/991080695.db2.gz NVUPCGGGRBFKJR-ZWKOTPCHSA-N 1 2 361.486 2.815 20 30 FFEDLO CN(C(=O)C[N@H+]1Cc2cccnc2N2CCC[C@H]2C1)C1(C#N)CCCCC1 ZINC000879689334 1015640599 /nfs/dbraw/zinc/64/05/99/1015640599.db2.gz OMNIASPTLYTLDU-SFHVURJKSA-N 1 2 367.497 2.551 20 30 FFEDLO CN(C(=O)C[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1)C1(C#N)CCCCC1 ZINC000879689334 1015640603 /nfs/dbraw/zinc/64/06/03/1015640603.db2.gz OMNIASPTLYTLDU-SFHVURJKSA-N 1 2 367.497 2.551 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001065166869 991768228 /nfs/dbraw/zinc/76/82/28/991768228.db2.gz UCLHFWJJIDPMEW-HCXYKTFWSA-N 1 2 370.497 2.563 20 30 FFEDLO CC(C)CC(=O)N1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000879758758 1015669212 /nfs/dbraw/zinc/66/92/12/1015669212.db2.gz ZKUJGHXZXQZTTL-UHFFFAOYSA-N 1 2 370.497 2.514 20 30 FFEDLO CC(C)CC(=O)N1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000879758758 1015669217 /nfs/dbraw/zinc/66/92/17/1015669217.db2.gz ZKUJGHXZXQZTTL-UHFFFAOYSA-N 1 2 370.497 2.514 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]2C)on1 ZINC001079413296 992077005 /nfs/dbraw/zinc/07/70/05/992077005.db2.gz YBNFYOQDGQXZEY-CXAGYDPISA-N 1 2 357.841 2.738 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]2C)on1 ZINC001079413296 992077010 /nfs/dbraw/zinc/07/70/10/992077010.db2.gz YBNFYOQDGQXZEY-CXAGYDPISA-N 1 2 357.841 2.738 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079540554 992191186 /nfs/dbraw/zinc/19/11/86/992191186.db2.gz VBNQMQQPARWFNI-AUUYWEPGSA-N 1 2 366.852 2.642 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079540554 992191192 /nfs/dbraw/zinc/19/11/92/992191192.db2.gz VBNQMQQPARWFNI-AUUYWEPGSA-N 1 2 366.852 2.642 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccon2)CC1(C)C ZINC000941087705 992289473 /nfs/dbraw/zinc/28/94/73/992289473.db2.gz QAVJYCSRJOEVSN-KSZLIROESA-N 1 2 361.486 2.763 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccon2)CC1(C)C ZINC000941087705 992289479 /nfs/dbraw/zinc/28/94/79/992289479.db2.gz QAVJYCSRJOEVSN-KSZLIROESA-N 1 2 361.486 2.763 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)sc2C)C[C@H]1C ZINC001079855930 992495527 /nfs/dbraw/zinc/49/55/27/992495527.db2.gz YRSUMWDVUNXNDN-CZUORRHYSA-N 1 2 358.511 2.998 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2nc(C)sc2C)C[C@H]1C ZINC001079855930 992495530 /nfs/dbraw/zinc/49/55/30/992495530.db2.gz YRSUMWDVUNXNDN-CZUORRHYSA-N 1 2 358.511 2.998 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2noc3c2CCCC3)C[C@H]1C ZINC001079850950 992534352 /nfs/dbraw/zinc/53/43/52/992534352.db2.gz WCWRYZMYWUVQIE-NVXWUHKLSA-N 1 2 368.481 2.791 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2noc3c2CCCC3)C[C@H]1C ZINC001079850950 992534356 /nfs/dbraw/zinc/53/43/56/992534356.db2.gz WCWRYZMYWUVQIE-NVXWUHKLSA-N 1 2 368.481 2.791 20 30 FFEDLO C=C1CC(C(=O)N2CCC3(C[NH+](Cc4nc5ccccc5[nH]4)C3)CC2)C1 ZINC001272709740 992551313 /nfs/dbraw/zinc/55/13/13/992551313.db2.gz YGGYFHCYLAGDII-UHFFFAOYSA-N 1 2 350.466 2.954 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+]([C@H](C)c2nnc(C)o2)C[C@H]1C ZINC001079978033 992639830 /nfs/dbraw/zinc/63/98/30/992639830.db2.gz UPKRCEUBNYZRSN-CKEIUWERSA-N 1 2 370.453 2.754 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nnc(C)o2)C[C@H]1C ZINC001079978033 992639832 /nfs/dbraw/zinc/63/98/32/992639832.db2.gz UPKRCEUBNYZRSN-CKEIUWERSA-N 1 2 370.453 2.754 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC001008857832 1015731847 /nfs/dbraw/zinc/73/18/47/1015731847.db2.gz YFMKKVZKLUSNBG-GUXCAODWSA-N 1 2 369.465 2.890 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC001008857832 1015731852 /nfs/dbraw/zinc/73/18/52/1015731852.db2.gz YFMKKVZKLUSNBG-GUXCAODWSA-N 1 2 369.465 2.890 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cc(C2CC2)on1 ZINC001080217142 992834820 /nfs/dbraw/zinc/83/48/20/992834820.db2.gz VCNPYOGTQVFKIE-FZKQIMNGSA-N 1 2 350.422 2.674 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cc(C2CC2)on1 ZINC001080217142 992834827 /nfs/dbraw/zinc/83/48/27/992834827.db2.gz VCNPYOGTQVFKIE-FZKQIMNGSA-N 1 2 350.422 2.674 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)cs1 ZINC001080322012 992929826 /nfs/dbraw/zinc/92/98/26/992929826.db2.gz LGVLZBLYUIFYCJ-BDJLRTHQSA-N 1 2 358.442 2.713 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)cs1 ZINC001080322012 992929834 /nfs/dbraw/zinc/92/98/34/992929834.db2.gz LGVLZBLYUIFYCJ-BDJLRTHQSA-N 1 2 358.442 2.713 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3C)C[C@H]2C)C1 ZINC001080404407 993033128 /nfs/dbraw/zinc/03/31/28/993033128.db2.gz GSADIMKDIFRJMO-SJLPKXTDSA-N 1 2 355.482 2.726 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(=O)Nc3ccccc3C)C[C@H]2C)C1 ZINC001080404407 993033132 /nfs/dbraw/zinc/03/31/32/993033132.db2.gz GSADIMKDIFRJMO-SJLPKXTDSA-N 1 2 355.482 2.726 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3c(C)nn(C)c3Cl)C[C@H]2C)C1 ZINC001080404613 993033957 /nfs/dbraw/zinc/03/39/57/993033957.db2.gz QQBBHQQNRUSGAE-IUODEOHRSA-N 1 2 350.894 2.675 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3c(C)nn(C)c3Cl)C[C@H]2C)C1 ZINC001080404613 993033961 /nfs/dbraw/zinc/03/39/61/993033961.db2.gz QQBBHQQNRUSGAE-IUODEOHRSA-N 1 2 350.894 2.675 20 30 FFEDLO Cc1nccnc1[C@@H](C)[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000880106804 1015757481 /nfs/dbraw/zinc/75/74/81/1015757481.db2.gz NICQQBFGBJGEAN-UKRRQHHQSA-N 1 2 358.405 2.673 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCc2nc(Cc3ccccc3)no2)cc1 ZINC000072672578 993258236 /nfs/dbraw/zinc/25/82/36/993258236.db2.gz JTVCKLMCHJVIEN-UHFFFAOYSA-N 1 2 352.394 2.701 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@@]1(C)CCOC1 ZINC001080674724 993265741 /nfs/dbraw/zinc/26/57/41/993265741.db2.gz PFSGWNMVFGCEPQ-ZTNFWEORSA-N 1 2 360.885 2.555 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@@]1(C)CCOC1 ZINC001080674724 993265750 /nfs/dbraw/zinc/26/57/50/993265750.db2.gz PFSGWNMVFGCEPQ-ZTNFWEORSA-N 1 2 360.885 2.555 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ncc(C)o2)C[C@H]1C ZINC001080753394 993336939 /nfs/dbraw/zinc/33/69/39/993336939.db2.gz HTRRBXKSAOQTIZ-VNQPRFMTSA-N 1 2 370.453 2.754 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ncc(C)o2)C[C@H]1C ZINC001080753394 993336941 /nfs/dbraw/zinc/33/69/41/993336941.db2.gz HTRRBXKSAOQTIZ-VNQPRFMTSA-N 1 2 370.453 2.754 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)cc3F)C[C@H]2C)nc1 ZINC001080808309 993367992 /nfs/dbraw/zinc/36/79/92/993367992.db2.gz SQJJUFUMYHRWNV-BFUOFWGJSA-N 1 2 355.388 2.591 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)cc3F)C[C@H]2C)nc1 ZINC001080808309 993367997 /nfs/dbraw/zinc/36/79/97/993367997.db2.gz SQJJUFUMYHRWNV-BFUOFWGJSA-N 1 2 355.388 2.591 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COc3ccccc32)C1 ZINC001081039144 993563478 /nfs/dbraw/zinc/56/34/78/993563478.db2.gz FOJMKLIVHMOGEW-BYCMXARLSA-N 1 2 365.271 2.508 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COc3ccccc32)C1 ZINC001081039144 993563481 /nfs/dbraw/zinc/56/34/81/993563481.db2.gz FOJMKLIVHMOGEW-BYCMXARLSA-N 1 2 365.271 2.508 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C(F)=C1CCCC1 ZINC001081537636 993873946 /nfs/dbraw/zinc/87/39/46/993873946.db2.gz PIOCWFYXMPNHAN-HZPDHXFCSA-N 1 2 363.458 2.733 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C(F)=C1CCCC1 ZINC001081537636 993873956 /nfs/dbraw/zinc/87/39/56/993873956.db2.gz PIOCWFYXMPNHAN-HZPDHXFCSA-N 1 2 363.458 2.733 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cc(C)cs1 ZINC001081637788 993898540 /nfs/dbraw/zinc/89/85/40/993898540.db2.gz FUSBTXDYBMZIMS-IAGOWNOFSA-N 1 2 355.463 2.557 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cc(C)cs1 ZINC001081637788 993898544 /nfs/dbraw/zinc/89/85/44/993898544.db2.gz FUSBTXDYBMZIMS-IAGOWNOFSA-N 1 2 355.463 2.557 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001081974959 994080908 /nfs/dbraw/zinc/08/09/08/994080908.db2.gz JYWKAPWBEHBYFG-IJERAIBMSA-N 1 2 367.493 2.700 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001081974959 994080921 /nfs/dbraw/zinc/08/09/21/994080921.db2.gz JYWKAPWBEHBYFG-IJERAIBMSA-N 1 2 367.493 2.700 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCCC1(C)C ZINC001082036577 994113890 /nfs/dbraw/zinc/11/38/90/994113890.db2.gz RDDCXAOZVADNPX-XUVXKRRUSA-N 1 2 354.494 2.680 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCCC1(C)C ZINC001082036577 994113895 /nfs/dbraw/zinc/11/38/95/994113895.db2.gz RDDCXAOZVADNPX-XUVXKRRUSA-N 1 2 354.494 2.680 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3oc(CC)nc3C)C[C@H]2OC)CC1 ZINC001082101061 994160072 /nfs/dbraw/zinc/16/00/72/994160072.db2.gz DGHPYCYQKRKJJG-SJLPKXTDSA-N 1 2 361.486 2.607 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3oc(CC)nc3C)C[C@H]2OC)CC1 ZINC001082101061 994160076 /nfs/dbraw/zinc/16/00/76/994160076.db2.gz DGHPYCYQKRKJJG-SJLPKXTDSA-N 1 2 361.486 2.607 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001082110902 994192567 /nfs/dbraw/zinc/19/25/67/994192567.db2.gz MEGUWASHJLAWLS-ATZDWAIDSA-N 1 2 355.482 2.700 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001082110902 994192570 /nfs/dbraw/zinc/19/25/70/994192570.db2.gz MEGUWASHJLAWLS-ATZDWAIDSA-N 1 2 355.482 2.700 20 30 FFEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000880481496 1015847870 /nfs/dbraw/zinc/84/78/70/1015847870.db2.gz VHTNBTKMROGZDW-MRXNPFEDSA-N 1 2 371.506 2.870 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1csc(C)c1 ZINC001082238608 994292059 /nfs/dbraw/zinc/29/20/59/994292059.db2.gz CAQIBWRODFADLK-RTBURBONSA-N 1 2 354.475 2.537 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1csc(C)c1 ZINC001082238608 994292069 /nfs/dbraw/zinc/29/20/69/994292069.db2.gz CAQIBWRODFADLK-RTBURBONSA-N 1 2 354.475 2.537 20 30 FFEDLO COc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810532915 994814304 /nfs/dbraw/zinc/81/43/04/994814304.db2.gz WMTYPWYIPFGRPX-BFUOFWGJSA-N 1 2 361.417 2.555 20 30 FFEDLO COc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810532915 994814309 /nfs/dbraw/zinc/81/43/09/994814309.db2.gz WMTYPWYIPFGRPX-BFUOFWGJSA-N 1 2 361.417 2.555 20 30 FFEDLO N#Cc1cccc(C(=O)COC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000811325712 995104488 /nfs/dbraw/zinc/10/44/88/995104488.db2.gz CIDYIPVILDLMAU-UHFFFAOYSA-N 1 2 359.385 2.772 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)c1C#N ZINC000811514183 995172470 /nfs/dbraw/zinc/17/24/70/995172470.db2.gz DQQMSQZYMXOLBM-AWEZNQCLSA-N 1 2 367.478 2.936 20 30 FFEDLO C#CCNC(=O)C1CC[NH+](Cn2ccn(-c3cccc(C)c3)c2=S)CC1 ZINC000747797674 995488304 /nfs/dbraw/zinc/48/83/04/995488304.db2.gz DWXJCKMRIUWPLL-UHFFFAOYSA-N 1 2 368.506 2.736 20 30 FFEDLO O=C(CC1CCCC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001082986543 995977604 /nfs/dbraw/zinc/97/76/04/995977604.db2.gz HUKBZBMGAZEYGB-LEWJYISDSA-N 1 2 352.478 2.530 20 30 FFEDLO O=C(CC1CCCC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001082986543 995977612 /nfs/dbraw/zinc/97/76/12/995977612.db2.gz HUKBZBMGAZEYGB-LEWJYISDSA-N 1 2 352.478 2.530 20 30 FFEDLO CC(C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21)=C1CCC1 ZINC001083078633 996071219 /nfs/dbraw/zinc/07/12/19/996071219.db2.gz LRAHAQRIQWBYRW-ZWKOTPCHSA-N 1 2 357.479 2.532 20 30 FFEDLO CC(C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21)=C1CCC1 ZINC001083078633 996071223 /nfs/dbraw/zinc/07/12/23/996071223.db2.gz LRAHAQRIQWBYRW-ZWKOTPCHSA-N 1 2 357.479 2.532 20 30 FFEDLO Cc1ccccc1-c1cnc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)[C@@H]3C2)o1 ZINC001084232780 996382867 /nfs/dbraw/zinc/38/28/67/996382867.db2.gz ICINBCRYDLCKIE-LZLYRXPVSA-N 1 2 364.449 2.842 20 30 FFEDLO Cc1ccccc1-c1cnc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)[C@@H]3C2)o1 ZINC001084232780 996382871 /nfs/dbraw/zinc/38/28/71/996382871.db2.gz ICINBCRYDLCKIE-LZLYRXPVSA-N 1 2 364.449 2.842 20 30 FFEDLO CCc1cccnc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084470838 996581316 /nfs/dbraw/zinc/58/13/16/996581316.db2.gz YLLRVDPJYFSZJG-WOJBJXKFSA-N 1 2 360.461 2.862 20 30 FFEDLO CCc1cccnc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084470838 996581321 /nfs/dbraw/zinc/58/13/21/996581321.db2.gz YLLRVDPJYFSZJG-WOJBJXKFSA-N 1 2 360.461 2.862 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4cccn4cn3)[C@@H]2C1 ZINC001084443588 996596581 /nfs/dbraw/zinc/59/65/81/996596581.db2.gz SSIZOUMFSVEETE-WIYYLYMNSA-N 1 2 371.444 2.552 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4cccn4cn3)[C@@H]2C1 ZINC001084443588 996596585 /nfs/dbraw/zinc/59/65/85/996596585.db2.gz SSIZOUMFSVEETE-WIYYLYMNSA-N 1 2 371.444 2.552 20 30 FFEDLO Cc1n[nH]cc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084563874 996678246 /nfs/dbraw/zinc/67/82/46/996678246.db2.gz XZMFOPKDYXPBKR-VQIMIIECSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1n[nH]cc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084563874 996678248 /nfs/dbraw/zinc/67/82/48/996678248.db2.gz XZMFOPKDYXPBKR-VQIMIIECSA-N 1 2 368.868 2.570 20 30 FFEDLO CC(F)(F)CC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084638884 996752824 /nfs/dbraw/zinc/75/28/24/996752824.db2.gz YGUCDAZMJHKOCD-CZUORRHYSA-N 1 2 351.372 2.775 20 30 FFEDLO CC(F)(F)CC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084638884 996752828 /nfs/dbraw/zinc/75/28/28/996752828.db2.gz YGUCDAZMJHKOCD-CZUORRHYSA-N 1 2 351.372 2.775 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)CC1 ZINC001136863260 996904223 /nfs/dbraw/zinc/90/42/23/996904223.db2.gz VOVISENKIKMICD-UHFFFAOYSA-N 1 2 373.453 2.520 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)CC1 ZINC001136863260 996904241 /nfs/dbraw/zinc/90/42/41/996904241.db2.gz VOVISENKIKMICD-UHFFFAOYSA-N 1 2 373.453 2.520 20 30 FFEDLO CCCn1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)cn1 ZINC001084692926 996935554 /nfs/dbraw/zinc/93/55/54/996935554.db2.gz GGAWRWPPQXNCBM-UYAOXDASSA-N 1 2 363.465 2.511 20 30 FFEDLO CCCn1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)cn1 ZINC001084692926 996935563 /nfs/dbraw/zinc/93/55/63/996935563.db2.gz GGAWRWPPQXNCBM-UYAOXDASSA-N 1 2 363.465 2.511 20 30 FFEDLO C[C@@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)CCCOC1 ZINC001084744347 997169563 /nfs/dbraw/zinc/16/95/63/997169563.db2.gz GNPJNYAAZHURGO-YFVAEKQCSA-N 1 2 371.456 2.547 20 30 FFEDLO C[C@@]1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)CCCOC1 ZINC001084744347 997169568 /nfs/dbraw/zinc/16/95/68/997169568.db2.gz GNPJNYAAZHURGO-YFVAEKQCSA-N 1 2 371.456 2.547 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1CN(c2[nH+]c(C)nc(-n3cccn3)c2C)C[C@H]1C ZINC001090811269 997182080 /nfs/dbraw/zinc/18/20/80/997182080.db2.gz LKBVLNYETOSWSX-RHSMWYFYSA-N 1 2 368.485 2.576 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)n3cnc4ccccc43)[C@@H]2C1 ZINC001084754837 997210788 /nfs/dbraw/zinc/21/07/88/997210788.db2.gz JTCZPQIBZYAQPV-HDMKZQKVSA-N 1 2 358.873 2.883 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)n3cnc4ccccc43)[C@@H]2C1 ZINC001084754837 997210800 /nfs/dbraw/zinc/21/08/00/997210800.db2.gz JTCZPQIBZYAQPV-HDMKZQKVSA-N 1 2 358.873 2.883 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c([nH]3)CCC4)[C@@H]2C1 ZINC001084769635 997281955 /nfs/dbraw/zinc/28/19/55/997281955.db2.gz UGPOVYBYWJSIAX-WIYYLYMNSA-N 1 2 360.461 2.722 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c([nH]3)CCC4)[C@@H]2C1 ZINC001084769635 997281966 /nfs/dbraw/zinc/28/19/66/997281966.db2.gz UGPOVYBYWJSIAX-WIYYLYMNSA-N 1 2 360.461 2.722 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(c4ccccc4)CCCO3)[C@@H]2C1 ZINC001084797422 997402549 /nfs/dbraw/zinc/40/25/49/997402549.db2.gz VYMRWWFMXWMEIO-YVWKXTFCSA-N 1 2 360.885 2.978 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(c4ccccc4)CCCO3)[C@@H]2C1 ZINC001084797422 997402565 /nfs/dbraw/zinc/40/25/65/997402565.db2.gz VYMRWWFMXWMEIO-YVWKXTFCSA-N 1 2 360.885 2.978 20 30 FFEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CC[N@@H+](Cc3ncc(C)s3)C[C@H]21 ZINC001084798509 997409517 /nfs/dbraw/zinc/40/95/17/997409517.db2.gz QOJDZJJBDMWCNK-RTBURBONSA-N 1 2 365.502 2.708 20 30 FFEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CC[N@H+](Cc3ncc(C)s3)C[C@H]21 ZINC001084798509 997409522 /nfs/dbraw/zinc/40/95/22/997409522.db2.gz QOJDZJJBDMWCNK-RTBURBONSA-N 1 2 365.502 2.708 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC(C)C)c3C)[C@@H]2C1 ZINC001084801863 997430924 /nfs/dbraw/zinc/43/09/24/997430924.db2.gz VDHZEZJNIIGMOD-NVXWUHKLSA-N 1 2 350.894 2.746 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC(C)C)c3C)[C@@H]2C1 ZINC001084801863 997430933 /nfs/dbraw/zinc/43/09/33/997430933.db2.gz VDHZEZJNIIGMOD-NVXWUHKLSA-N 1 2 350.894 2.746 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(N(CC)CC)nc3)[C@@H]2C1 ZINC001084865038 997720458 /nfs/dbraw/zinc/72/04/58/997720458.db2.gz BGIOSUMHVPYWKW-IAGOWNOFSA-N 1 2 362.905 2.827 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N(CC)CC)nc3)[C@@H]2C1 ZINC001084865038 997720464 /nfs/dbraw/zinc/72/04/64/997720464.db2.gz BGIOSUMHVPYWKW-IAGOWNOFSA-N 1 2 362.905 2.827 20 30 FFEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844323499 997809108 /nfs/dbraw/zinc/80/91/08/997809108.db2.gz AIZUOLNGKDJGQM-ZWKOTPCHSA-N 1 2 374.872 2.505 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)c(C#N)c1C ZINC000844366011 997837438 /nfs/dbraw/zinc/83/74/38/997837438.db2.gz KQYMLYPRKCQBDR-FZKQIMNGSA-N 1 2 366.421 2.632 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c(C#N)c1C ZINC000844366011 997837446 /nfs/dbraw/zinc/83/74/46/997837446.db2.gz KQYMLYPRKCQBDR-FZKQIMNGSA-N 1 2 366.421 2.632 20 30 FFEDLO CCOc1ccc(NC(=O)C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1 ZINC000844365444 997838164 /nfs/dbraw/zinc/83/81/64/997838164.db2.gz GCPJMFDOMJPBFJ-IBGZPJMESA-N 1 2 353.422 2.561 20 30 FFEDLO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1 ZINC000844365444 997838177 /nfs/dbraw/zinc/83/81/77/997838177.db2.gz GCPJMFDOMJPBFJ-IBGZPJMESA-N 1 2 353.422 2.561 20 30 FFEDLO CCOc1ccccc1NC(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368112 997845320 /nfs/dbraw/zinc/84/53/20/997845320.db2.gz ROSGETSDFJWDIL-GOSISDBHSA-N 1 2 353.422 2.561 20 30 FFEDLO CCOc1ccccc1NC(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368112 997845331 /nfs/dbraw/zinc/84/53/31/997845331.db2.gz ROSGETSDFJWDIL-GOSISDBHSA-N 1 2 353.422 2.561 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(OC(F)(F)F)ccc2OC)CC1 ZINC001144008093 997918344 /nfs/dbraw/zinc/91/83/44/997918344.db2.gz BWJDMNRYSNGACA-UHFFFAOYSA-N 1 2 372.343 2.873 20 30 FFEDLO C=CCC(C)(C)C(=O)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001144068781 997979491 /nfs/dbraw/zinc/97/94/91/997979491.db2.gz RWGZMBNCYBCSGG-MRXNPFEDSA-N 1 2 354.454 2.918 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001090968891 997994528 /nfs/dbraw/zinc/99/45/28/997994528.db2.gz NSKQAECBNCGPAC-RHSMWYFYSA-N 1 2 358.486 2.904 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC([N@H+](Cc2cncc(C#N)c2)C2COC2)CC1 ZINC001144079236 997997944 /nfs/dbraw/zinc/99/79/44/997997944.db2.gz DNLXWPCGMGADLM-UHFFFAOYSA-N 1 2 372.469 2.554 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2cncc(C#N)c2)C2COC2)CC1 ZINC001144079236 997997951 /nfs/dbraw/zinc/99/79/51/997997951.db2.gz DNLXWPCGMGADLM-UHFFFAOYSA-N 1 2 372.469 2.554 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(CC#N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000881148377 1016181554 /nfs/dbraw/zinc/18/15/54/1016181554.db2.gz XVIKJRXROMJCIN-WMZOPIPTSA-N 1 2 371.391 2.993 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)Nc2cccc(CC#N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000881148377 1016181560 /nfs/dbraw/zinc/18/15/60/1016181560.db2.gz XVIKJRXROMJCIN-WMZOPIPTSA-N 1 2 371.391 2.993 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001056800245 1016194313 /nfs/dbraw/zinc/19/43/13/1016194313.db2.gz UFLMHRGSHGUIIT-ZACQAIPSSA-N 1 2 358.486 2.902 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(C(C)C)n4C)[C@H]3C2)C1 ZINC001085027194 998712720 /nfs/dbraw/zinc/71/27/20/998712720.db2.gz QESSAJOSDGXYFA-SJORKVTESA-N 1 2 371.529 2.718 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc(C(C)C)n4C)[C@H]3C2)C1 ZINC001085027194 998712724 /nfs/dbraw/zinc/71/27/24/998712724.db2.gz QESSAJOSDGXYFA-SJORKVTESA-N 1 2 371.529 2.718 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(C)CCCOC3)C[C@@H]21 ZINC001085064917 998824275 /nfs/dbraw/zinc/82/42/75/998824275.db2.gz HVCTYZYSMHLXBV-VYDXJSESSA-N 1 2 371.319 2.635 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(C)CCCOC3)C[C@@H]21 ZINC001085064917 998824280 /nfs/dbraw/zinc/82/42/80/998824280.db2.gz HVCTYZYSMHLXBV-VYDXJSESSA-N 1 2 371.319 2.635 20 30 FFEDLO Cc1conc1C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001085069392 998841659 /nfs/dbraw/zinc/84/16/59/998841659.db2.gz GMXBSHPTYCVMAH-KDOFPFPSSA-N 1 2 368.412 2.730 20 30 FFEDLO Cc1conc1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001085069392 998841661 /nfs/dbraw/zinc/84/16/61/998841661.db2.gz GMXBSHPTYCVMAH-KDOFPFPSSA-N 1 2 368.412 2.730 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000733306919 998953411 /nfs/dbraw/zinc/95/34/11/998953411.db2.gz NGMBRENVUPFEEE-CYBMUJFWSA-N 1 2 355.394 2.562 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cnc3ccc(C)cn13)CC2 ZINC001137306381 1016269028 /nfs/dbraw/zinc/26/90/28/1016269028.db2.gz RJDPFVAJJUXCPS-UHFFFAOYSA-N 1 2 351.454 2.637 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cnc3ccc(C)cn13)CC2 ZINC001137306381 1016269036 /nfs/dbraw/zinc/26/90/36/1016269036.db2.gz RJDPFVAJJUXCPS-UHFFFAOYSA-N 1 2 351.454 2.637 20 30 FFEDLO C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1[nH]nc(C)c1C ZINC001085153579 999036509 /nfs/dbraw/zinc/03/65/09/999036509.db2.gz BAEPKKAJQDQQKY-CHWSQXEVSA-N 1 2 355.280 2.566 20 30 FFEDLO C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC001085380053 999425119 /nfs/dbraw/zinc/42/51/19/999425119.db2.gz GGSGRJWYEMPANW-HFBAOOFYSA-N 1 2 350.894 2.918 20 30 FFEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001085718286 999613505 /nfs/dbraw/zinc/61/35/05/999613505.db2.gz NCRGVZRCCDYGAA-QHAWAJNXSA-N 1 2 367.493 2.654 20 30 FFEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001085718286 999613506 /nfs/dbraw/zinc/61/35/06/999613506.db2.gz NCRGVZRCCDYGAA-QHAWAJNXSA-N 1 2 367.493 2.654 20 30 FFEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001085736867 999617358 /nfs/dbraw/zinc/61/73/58/999617358.db2.gz XIUBTYPKXSUKMR-GGPKGHCWSA-N 1 2 371.456 2.545 20 30 FFEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001085736867 999617361 /nfs/dbraw/zinc/61/73/61/999617361.db2.gz XIUBTYPKXSUKMR-GGPKGHCWSA-N 1 2 371.456 2.545 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085869055 999666189 /nfs/dbraw/zinc/66/61/89/999666189.db2.gz GWXRYINGRVJABD-WBAXXEDZSA-N 1 2 359.495 2.634 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085869055 999666191 /nfs/dbraw/zinc/66/61/91/999666191.db2.gz GWXRYINGRVJABD-WBAXXEDZSA-N 1 2 359.495 2.634 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC001085869212 999666643 /nfs/dbraw/zinc/66/66/43/999666643.db2.gz LDVLAMXZMAFCBC-BXWFABGCSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC001085869212 999666644 /nfs/dbraw/zinc/66/66/44/999666644.db2.gz LDVLAMXZMAFCBC-BXWFABGCSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001066390099 999759883 /nfs/dbraw/zinc/75/98/83/999759883.db2.gz VIKGWRJJZVFTNA-LNLFQRSKSA-N 1 2 358.486 2.807 20 30 FFEDLO Cc1cc(C(N)=[NH+]OCC(=O)N(C)CCCOc2ccccc2)ccc1F ZINC000742353736 999769351 /nfs/dbraw/zinc/76/93/51/999769351.db2.gz BLAIISLDGZXVTE-UHFFFAOYSA-N 1 2 373.428 2.699 20 30 FFEDLO C#CC[N@@H+](CC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1 ZINC000746457103 999993758 /nfs/dbraw/zinc/99/37/58/999993758.db2.gz XRNHTXFRVDFDOE-LJQANCHMSA-N 1 2 365.433 2.921 20 30 FFEDLO C#CC[N@H+](CC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1 ZINC000746457103 999993760 /nfs/dbraw/zinc/99/37/60/999993760.db2.gz XRNHTXFRVDFDOE-LJQANCHMSA-N 1 2 365.433 2.921 20 30 FFEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)s1 ZINC001108947338 1000137438 /nfs/dbraw/zinc/13/74/38/1000137438.db2.gz ORDKVQXEEWLXII-WXHSDQCUSA-N 1 2 355.916 2.880 20 30 FFEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)s1 ZINC001108947338 1000137439 /nfs/dbraw/zinc/13/74/39/1000137439.db2.gz ORDKVQXEEWLXII-WXHSDQCUSA-N 1 2 355.916 2.880 20 30 FFEDLO CC[C@H](C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109162825 1000177861 /nfs/dbraw/zinc/17/78/61/1000177861.db2.gz XKYBWAIVHQRGHK-BIGGFVEDSA-N 1 2 359.445 2.734 20 30 FFEDLO CC[C@H](C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109162825 1000177863 /nfs/dbraw/zinc/17/78/63/1000177863.db2.gz XKYBWAIVHQRGHK-BIGGFVEDSA-N 1 2 359.445 2.734 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)Nc1ccccc1 ZINC001109206967 1000186385 /nfs/dbraw/zinc/18/63/85/1000186385.db2.gz WMBQFXGJHGBRIO-YSHGAJCASA-N 1 2 353.466 2.539 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)Nc1ccccc1 ZINC001109206967 1000186387 /nfs/dbraw/zinc/18/63/87/1000186387.db2.gz WMBQFXGJHGBRIO-YSHGAJCASA-N 1 2 353.466 2.539 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC1CCCCC1 ZINC001109208379 1000186937 /nfs/dbraw/zinc/18/69/37/1000186937.db2.gz LLNVBHUUYCFYKY-AABGKKOBSA-N 1 2 373.541 2.598 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC1CCCCC1 ZINC001109208379 1000186939 /nfs/dbraw/zinc/18/69/39/1000186939.db2.gz LLNVBHUUYCFYKY-AABGKKOBSA-N 1 2 373.541 2.598 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1F ZINC001109212723 1000188383 /nfs/dbraw/zinc/18/83/83/1000188383.db2.gz HEUIUGJCFKROPC-QSOKESPWSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1F ZINC001109212723 1000188384 /nfs/dbraw/zinc/18/83/84/1000188384.db2.gz HEUIUGJCFKROPC-QSOKESPWSA-N 1 2 350.409 2.513 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)C1CC1 ZINC001109227661 1000190692 /nfs/dbraw/zinc/19/06/92/1000190692.db2.gz PNCZALNXDNOGTI-FYQPLNBISA-N 1 2 372.896 2.838 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)C1CC1 ZINC001109227661 1000190694 /nfs/dbraw/zinc/19/06/94/1000190694.db2.gz PNCZALNXDNOGTI-FYQPLNBISA-N 1 2 372.896 2.838 20 30 FFEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)c3ccccc3OC)CC2)cc1 ZINC000768251431 1000200561 /nfs/dbraw/zinc/20/05/61/1000200561.db2.gz GGJSFKUVIVCUMP-UHFFFAOYSA-N 1 2 364.445 2.665 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)s1 ZINC001109267568 1000209093 /nfs/dbraw/zinc/20/90/93/1000209093.db2.gz PYUPKMKRSWJANG-UXOAXIEHSA-N 1 2 352.887 2.661 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)s1 ZINC001109267568 1000209098 /nfs/dbraw/zinc/20/90/98/1000209098.db2.gz PYUPKMKRSWJANG-UXOAXIEHSA-N 1 2 352.887 2.661 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2noc3c2CCCC3)CCC1 ZINC001109392173 1000371356 /nfs/dbraw/zinc/37/13/56/1000371356.db2.gz SQPZQLODNBVEIM-AYBZRNKSSA-N 1 2 367.493 2.969 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2noc3c2CCCC3)CCC1 ZINC001109392173 1000371363 /nfs/dbraw/zinc/37/13/63/1000371363.db2.gz SQPZQLODNBVEIM-AYBZRNKSSA-N 1 2 367.493 2.969 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)nn1 ZINC000846788822 1000430533 /nfs/dbraw/zinc/43/05/33/1000430533.db2.gz MIGBZHLRIPPGIA-MRXNPFEDSA-N 1 2 363.506 2.933 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)nn1 ZINC000846788822 1000430539 /nfs/dbraw/zinc/43/05/39/1000430539.db2.gz MIGBZHLRIPPGIA-MRXNPFEDSA-N 1 2 363.506 2.933 20 30 FFEDLO C#C[C@H]1CCC[N@@H+](CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1 ZINC000847027513 1000523730 /nfs/dbraw/zinc/52/37/30/1000523730.db2.gz BRKFGICRSFFGSL-INIZCTEOSA-N 1 2 351.450 2.630 20 30 FFEDLO C#C[C@H]1CCC[N@H+](CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1 ZINC000847027513 1000523733 /nfs/dbraw/zinc/52/37/33/1000523733.db2.gz BRKFGICRSFFGSL-INIZCTEOSA-N 1 2 351.450 2.630 20 30 FFEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000769960955 1000635126 /nfs/dbraw/zinc/63/51/26/1000635126.db2.gz HLQXRPIBTSFCPB-ZDUSSCGKSA-N 1 2 352.413 2.997 20 30 FFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000769960955 1000635130 /nfs/dbraw/zinc/63/51/30/1000635130.db2.gz HLQXRPIBTSFCPB-ZDUSSCGKSA-N 1 2 352.413 2.997 20 30 FFEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000769962969 1000636373 /nfs/dbraw/zinc/63/63/73/1000636373.db2.gz MTQPJHNGKPZFJC-ZDUSSCGKSA-N 1 2 352.413 2.997 20 30 FFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000769962969 1000636376 /nfs/dbraw/zinc/63/63/76/1000636376.db2.gz MTQPJHNGKPZFJC-ZDUSSCGKSA-N 1 2 352.413 2.997 20 30 FFEDLO C[S@@](=O)c1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc1 ZINC001171276573 1000662880 /nfs/dbraw/zinc/66/28/80/1000662880.db2.gz BPFUQLUOGMPHIR-RUZDIDTESA-N 1 2 354.479 2.789 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1 ZINC001109627581 1000740730 /nfs/dbraw/zinc/74/07/30/1000740730.db2.gz YEEUNBQDABYEER-QYZOEREBSA-N 1 2 353.466 2.540 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1 ZINC001109627581 1000740738 /nfs/dbraw/zinc/74/07/38/1000740738.db2.gz YEEUNBQDABYEER-QYZOEREBSA-N 1 2 353.466 2.540 20 30 FFEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C1CCOCC1 ZINC001096685325 1016438771 /nfs/dbraw/zinc/43/87/71/1016438771.db2.gz WSIPSEWQRCPBBX-ZFCZOSEKSA-N 1 2 367.493 2.842 20 30 FFEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C1CCOCC1 ZINC001096685325 1016438779 /nfs/dbraw/zinc/43/87/79/1016438779.db2.gz WSIPSEWQRCPBBX-ZFCZOSEKSA-N 1 2 367.493 2.842 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(CC)CC)CC1 ZINC001109675781 1000817121 /nfs/dbraw/zinc/81/71/21/1000817121.db2.gz HGLZXNPDNQHHFN-QYZOEREBSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(CC)CC)CC1 ZINC001109675781 1000817126 /nfs/dbraw/zinc/81/71/26/1000817126.db2.gz HGLZXNPDNQHHFN-QYZOEREBSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)CC)CC1 ZINC001109674419 1000831480 /nfs/dbraw/zinc/83/14/80/1000831480.db2.gz IAKXPIXMGWFWNX-SQNIBIBYSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)CC)CC1 ZINC001109674419 1000831488 /nfs/dbraw/zinc/83/14/88/1000831488.db2.gz IAKXPIXMGWFWNX-SQNIBIBYSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1 ZINC001109682214 1000836117 /nfs/dbraw/zinc/83/61/17/1000836117.db2.gz XZTQRMUUGABKJT-WKRCXCSHSA-N 1 2 355.482 2.949 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1 ZINC001109682214 1000836122 /nfs/dbraw/zinc/83/61/22/1000836122.db2.gz XZTQRMUUGABKJT-WKRCXCSHSA-N 1 2 355.482 2.949 20 30 FFEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)C(C)C)CC1 ZINC001109681858 1000836164 /nfs/dbraw/zinc/83/61/64/1000836164.db2.gz KNAYITCSXURGBD-MHORFTMASA-N 1 2 361.530 2.615 20 30 FFEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)C(C)C)CC1 ZINC001109681858 1000836170 /nfs/dbraw/zinc/83/61/70/1000836170.db2.gz KNAYITCSXURGBD-MHORFTMASA-N 1 2 361.530 2.615 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109692378 1000863614 /nfs/dbraw/zinc/86/36/14/1000863614.db2.gz VCVJEIWMVUAMGN-BTHPGYMESA-N 1 2 373.472 2.980 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109692378 1000863618 /nfs/dbraw/zinc/86/36/18/1000863618.db2.gz VCVJEIWMVUAMGN-BTHPGYMESA-N 1 2 373.472 2.980 20 30 FFEDLO Cc1nc(N[C@@H]2CC[C@H](CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)ccc1C#N ZINC001091640272 1000929092 /nfs/dbraw/zinc/92/90/92/1000929092.db2.gz HERGYFSWSYXLPC-JLJPHGGASA-N 1 2 366.469 2.560 20 30 FFEDLO Cc1nc(N[C@@H]2CC[C@H](CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)ccc1C#N ZINC001091640272 1000929102 /nfs/dbraw/zinc/92/91/02/1000929102.db2.gz HERGYFSWSYXLPC-JLJPHGGASA-N 1 2 366.469 2.560 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNc1ncnc2c1C[N@H+](C)CC2 ZINC001091689299 1001083818 /nfs/dbraw/zinc/08/38/18/1001083818.db2.gz BKNXISZGWCNPIB-SJORKVTESA-N 1 2 371.529 2.860 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001091689299 1001083821 /nfs/dbraw/zinc/08/38/21/1001083821.db2.gz BKNXISZGWCNPIB-SJORKVTESA-N 1 2 371.529 2.860 20 30 FFEDLO C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1CCCNc1ccc(C#N)nc1 ZINC001091709798 1001123821 /nfs/dbraw/zinc/12/38/21/1001123821.db2.gz DGWMDDLOBIXACG-DNVCBOLYSA-N 1 2 366.469 2.738 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+](C)CCc1cnccn1 ZINC000771465463 1001130676 /nfs/dbraw/zinc/13/06/76/1001130676.db2.gz SVEUKUNFQCTKLY-DEDYPNTBSA-N 1 2 350.466 2.832 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+](C)CCc1cnccn1 ZINC000771465463 1001130681 /nfs/dbraw/zinc/13/06/81/1001130681.db2.gz SVEUKUNFQCTKLY-DEDYPNTBSA-N 1 2 350.466 2.832 20 30 FFEDLO C[C@@H](C#N)c1cccc(C(=O)N2CCc3onc(Cn4cc[nH+]c4)c3C2)c1 ZINC001148614678 1001181095 /nfs/dbraw/zinc/18/10/95/1001181095.db2.gz ULJQGOOTRBFWKC-AWEZNQCLSA-N 1 2 361.405 2.745 20 30 FFEDLO CC[NH+](CC)[C@@H](C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000787698858 1001707380 /nfs/dbraw/zinc/70/73/80/1001707380.db2.gz VXRMVRPWKYJULM-DOTOQJQBSA-N 1 2 357.454 2.564 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1CC ZINC001091790114 1001819873 /nfs/dbraw/zinc/81/98/73/1001819873.db2.gz JFGQLAAGLJBWFE-BHYGNILZSA-N 1 2 358.486 2.727 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1CCN(c2[nH+]cnc3c2cnn3C)[C@@H]1CC ZINC001091803964 1001861055 /nfs/dbraw/zinc/86/10/55/1001861055.db2.gz PUBQRNVUGPAXNV-DLBZAZTESA-N 1 2 368.485 2.605 20 30 FFEDLO N#Cc1cccc(OCC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000788837922 1001892271 /nfs/dbraw/zinc/89/22/71/1001892271.db2.gz WNVRJFIHIGTSTE-UHFFFAOYSA-N 1 2 364.449 2.876 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CCN1c1nc(C)[nH+]c2c1CCCC2 ZINC001091781523 1001906388 /nfs/dbraw/zinc/90/63/88/1001906388.db2.gz DUXGLXUKDFXLRI-RBUKOAKNSA-N 1 2 354.498 2.797 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CCN1c1cc(C)ncc1C#N ZINC001091829271 1001912841 /nfs/dbraw/zinc/91/28/41/1001912841.db2.gz VSRVQYZIISRHPC-BPQIPLTHSA-N 1 2 366.469 2.583 20 30 FFEDLO COc1ccc(CNC(=O)NCCCCNc2cccc[nH+]2)cc1C#N ZINC000746781008 1001940144 /nfs/dbraw/zinc/94/01/44/1001940144.db2.gz JXEUBXRXDMDGLB-UHFFFAOYSA-N 1 2 353.426 2.653 20 30 FFEDLO Cc1[nH+]c[nH]c1CSCCNC(=O)Cc1c[nH]c2cccc(C#N)c12 ZINC001182582586 1001964749 /nfs/dbraw/zinc/96/47/49/1001964749.db2.gz CSJLSBORRXGCFE-UHFFFAOYSA-N 1 2 353.451 2.663 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001091910465 1002063180 /nfs/dbraw/zinc/06/31/80/1002063180.db2.gz XYVABXJIONECNT-KUHUBIRLSA-N 1 2 364.921 2.956 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001091910465 1002063191 /nfs/dbraw/zinc/06/31/91/1002063191.db2.gz XYVABXJIONECNT-KUHUBIRLSA-N 1 2 364.921 2.956 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@](F)(CO)CC1 ZINC001183828732 1002401377 /nfs/dbraw/zinc/40/13/77/1002401377.db2.gz LRAATMDMTIDBPG-TZIWHRDSSA-N 1 2 373.472 2.626 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@](F)(CO)CC1 ZINC001183828732 1002401383 /nfs/dbraw/zinc/40/13/83/1002401383.db2.gz LRAATMDMTIDBPG-TZIWHRDSSA-N 1 2 373.472 2.626 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2cccc(Cl)c2)[nH]n1 ZINC001096849689 1016634932 /nfs/dbraw/zinc/63/49/32/1016634932.db2.gz LRCSNYWKCRIHPZ-LMMKCTJWSA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2cccc(Cl)c2)[nH]n1 ZINC001096849689 1016634940 /nfs/dbraw/zinc/63/49/40/1016634940.db2.gz LRCSNYWKCRIHPZ-LMMKCTJWSA-N 1 2 368.868 2.758 20 30 FFEDLO CC[C@@H](C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C#N)cn2)C1 ZINC001092314002 1002662624 /nfs/dbraw/zinc/66/26/24/1002662624.db2.gz XBKLBNXZGAKZOM-DJIMGWMZSA-N 1 2 366.469 2.529 20 30 FFEDLO C=CCCc1ccc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001184669972 1002668875 /nfs/dbraw/zinc/66/88/75/1002668875.db2.gz JDCRTVMXYVMFGP-UHFFFAOYSA-N 1 2 357.479 2.711 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3nc(C)no3)C[C@@]2(C)C1)c1ccccc1 ZINC001092294525 1002709567 /nfs/dbraw/zinc/70/95/67/1002709567.db2.gz VVVRBFKUDLQBSY-LQWHRVPQSA-N 1 2 366.465 2.628 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3nc(C)no3)C[C@@]2(C)C1)c1ccccc1 ZINC001092294525 1002709577 /nfs/dbraw/zinc/70/95/77/1002709577.db2.gz VVVRBFKUDLQBSY-LQWHRVPQSA-N 1 2 366.465 2.628 20 30 FFEDLO CC(C)(C)OC(=O)NCCCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000774818096 1002801560 /nfs/dbraw/zinc/80/15/60/1002801560.db2.gz CEWBOMHURIZGMM-UHFFFAOYSA-N 1 2 358.486 2.591 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(OC)cc1)C2 ZINC001110094442 1002850560 /nfs/dbraw/zinc/85/05/60/1002850560.db2.gz COVNNPRGTPJDCL-COXVUDFISA-N 1 2 350.846 2.548 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(OC)cc1)C2 ZINC001110094442 1002850568 /nfs/dbraw/zinc/85/05/68/1002850568.db2.gz COVNNPRGTPJDCL-COXVUDFISA-N 1 2 350.846 2.548 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110361046 1002920751 /nfs/dbraw/zinc/92/07/51/1002920751.db2.gz WFUYPKAAKKTDOV-KORVSZGISA-N 1 2 371.456 2.734 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110361046 1002920760 /nfs/dbraw/zinc/92/07/60/1002920760.db2.gz WFUYPKAAKKTDOV-KORVSZGISA-N 1 2 371.456 2.734 20 30 FFEDLO C=CCN1CC2(C[NH+](CCCc3ccccc3C(F)(F)F)C2)OCC1=O ZINC001276275251 1016694341 /nfs/dbraw/zinc/69/43/41/1016694341.db2.gz VEGNEBDAIFMWJR-UHFFFAOYSA-N 1 2 368.399 2.737 20 30 FFEDLO COC(=O)[C@H]([NH3+])Cc1cn(C2CCC(C#N)(c3ccccc3)CC2)cn1 ZINC001170376547 1003143479 /nfs/dbraw/zinc/14/34/79/1003143479.db2.gz OPXYVXDTXOOKMQ-QPIRBTGLSA-N 1 2 352.438 2.503 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CCCCO2)C3)c1 ZINC001096939735 1016765248 /nfs/dbraw/zinc/76/52/48/1016765248.db2.gz DMBQKNFUQQKVSB-LFGUQSLTSA-N 1 2 371.456 2.878 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CCCCO2)C3)c1 ZINC001096939735 1016765261 /nfs/dbraw/zinc/76/52/61/1016765261.db2.gz DMBQKNFUQQKVSB-LFGUQSLTSA-N 1 2 371.456 2.878 20 30 FFEDLO CC(C)(C)C[C@H]1CN(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C(=O)O1 ZINC000793592587 1003432837 /nfs/dbraw/zinc/43/28/37/1003432837.db2.gz SIOFEBZTHVGEAZ-CVEARBPZSA-N 1 2 358.442 2.621 20 30 FFEDLO CC(C)(C)C[C@H]1CN(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C(=O)O1 ZINC000793592587 1003432842 /nfs/dbraw/zinc/43/28/42/1003432842.db2.gz SIOFEBZTHVGEAZ-CVEARBPZSA-N 1 2 358.442 2.621 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ccc2cc[nH]c2n1 ZINC001095573696 1016780520 /nfs/dbraw/zinc/78/05/20/1016780520.db2.gz AOAIBKRSYTZSSA-GIVPXCGWSA-N 1 2 370.456 2.950 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ccc2cc[nH]c2n1 ZINC001095573696 1016780535 /nfs/dbraw/zinc/78/05/35/1016780535.db2.gz AOAIBKRSYTZSSA-GIVPXCGWSA-N 1 2 370.456 2.950 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187159632 1003572500 /nfs/dbraw/zinc/57/25/00/1003572500.db2.gz GLULXEKGQZCYML-GZRFBZBPSA-N 1 2 371.456 2.545 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187159632 1003572510 /nfs/dbraw/zinc/57/25/10/1003572510.db2.gz GLULXEKGQZCYML-GZRFBZBPSA-N 1 2 371.456 2.545 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnn3cc[nH]c23)C1 ZINC001086621206 1003595309 /nfs/dbraw/zinc/59/53/09/1003595309.db2.gz IODZVEZYRKWSBM-DLBZAZTESA-N 1 2 369.856 2.613 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnn3cc[nH]c23)C1 ZINC001086621206 1003595316 /nfs/dbraw/zinc/59/53/16/1003595316.db2.gz IODZVEZYRKWSBM-DLBZAZTESA-N 1 2 369.856 2.613 20 30 FFEDLO Cc1noc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)c1C ZINC001095592512 1016815097 /nfs/dbraw/zinc/81/50/97/1016815097.db2.gz XRNSQIOKALBHHH-NJAFHUGGSA-N 1 2 368.412 2.838 20 30 FFEDLO Cc1noc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)c1C ZINC001095592512 1016815111 /nfs/dbraw/zinc/81/51/11/1016815111.db2.gz XRNSQIOKALBHHH-NJAFHUGGSA-N 1 2 368.412 2.838 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O)CC(C)(C)C ZINC001196391657 1003759666 /nfs/dbraw/zinc/75/96/66/1003759666.db2.gz GTKGJDSXPRESTJ-IAOVAPTHSA-N 1 2 363.527 2.743 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O)CC(C)(C)C ZINC001196391657 1003759669 /nfs/dbraw/zinc/75/96/69/1003759669.db2.gz GTKGJDSXPRESTJ-IAOVAPTHSA-N 1 2 363.527 2.743 20 30 FFEDLO COC(=O)[C@H](c1cc(OC)cc(OC)c1)[N@H+](C)CCc1cccc(C#N)c1 ZINC001197116562 1004091169 /nfs/dbraw/zinc/09/11/69/1004091169.db2.gz RZANDZBWHLBOCA-FQEVSTJZSA-N 1 2 368.433 2.964 20 30 FFEDLO COC(=O)[C@H](c1cc(OC)cc(OC)c1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC001197116562 1004091178 /nfs/dbraw/zinc/09/11/78/1004091178.db2.gz RZANDZBWHLBOCA-FQEVSTJZSA-N 1 2 368.433 2.964 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001192321215 1004127273 /nfs/dbraw/zinc/12/72/73/1004127273.db2.gz SVRMWQQUHPTZNV-IAGOWNOFSA-N 1 2 368.399 2.560 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001192321215 1004127283 /nfs/dbraw/zinc/12/72/83/1004127283.db2.gz SVRMWQQUHPTZNV-IAGOWNOFSA-N 1 2 368.399 2.560 20 30 FFEDLO CC[C@@H](C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110455691 1004403086 /nfs/dbraw/zinc/40/30/86/1004403086.db2.gz KAWDWBGULGVOIZ-AZFSHXRASA-N 1 2 359.445 2.734 20 30 FFEDLO CC[C@@H](C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110455691 1004403092 /nfs/dbraw/zinc/40/30/92/1004403092.db2.gz KAWDWBGULGVOIZ-AZFSHXRASA-N 1 2 359.445 2.734 20 30 FFEDLO C#C[C@H]([NH2+]Cc1nc2ccccc2c(C)c1C(=O)OCC)[C@@H]1CCCO1 ZINC000775794981 1004404196 /nfs/dbraw/zinc/40/41/96/1004404196.db2.gz ULZJDZPDWRMAOM-LPHOPBHVSA-N 1 2 352.434 2.990 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)Nc1ccccc1C ZINC001110497321 1004417381 /nfs/dbraw/zinc/41/73/81/1004417381.db2.gz SSONGEXECMHRJU-CUDHKJQZSA-N 1 2 367.493 2.847 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)Nc1ccccc1C ZINC001110497321 1004417388 /nfs/dbraw/zinc/41/73/88/1004417388.db2.gz SSONGEXECMHRJU-CUDHKJQZSA-N 1 2 367.493 2.847 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(C)cc1C ZINC001110497188 1004417475 /nfs/dbraw/zinc/41/74/75/1004417475.db2.gz OQNFTHOYPJDLIR-RLLQIKCJSA-N 1 2 367.493 2.767 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(C)cc1C ZINC001110497188 1004417482 /nfs/dbraw/zinc/41/74/82/1004417482.db2.gz OQNFTHOYPJDLIR-RLLQIKCJSA-N 1 2 367.493 2.767 20 30 FFEDLO CC[C@@H](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001193319784 1004450646 /nfs/dbraw/zinc/45/06/46/1004450646.db2.gz GBUBBLSBTPNKHZ-NSISKUIASA-N 1 2 357.498 2.826 20 30 FFEDLO CC[C@@H](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001193319784 1004450650 /nfs/dbraw/zinc/45/06/50/1004450650.db2.gz GBUBBLSBTPNKHZ-NSISKUIASA-N 1 2 357.498 2.826 20 30 FFEDLO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)c1cccc(C#N)c1O)[C@H]2C ZINC001193643742 1004532816 /nfs/dbraw/zinc/53/28/16/1004532816.db2.gz BWKQTWYTWOXCDH-AWEZNQCLSA-N 1 2 367.453 2.518 20 30 FFEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000807336496 1004565356 /nfs/dbraw/zinc/56/53/56/1004565356.db2.gz DLSUVBPDNTWWSY-SFHVURJKSA-N 1 2 372.428 2.562 20 30 FFEDLO O=C(CCCC1CCCCC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001198387289 1004599562 /nfs/dbraw/zinc/59/95/62/1004599562.db2.gz UVWDOYWXMGSGOV-FGZHOGPDSA-N 1 2 368.521 2.950 20 30 FFEDLO O=C(CCCC1CCCCC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001198387289 1004599570 /nfs/dbraw/zinc/59/95/70/1004599570.db2.gz UVWDOYWXMGSGOV-FGZHOGPDSA-N 1 2 368.521 2.950 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncn1C ZINC001095635586 1016900880 /nfs/dbraw/zinc/90/08/80/1016900880.db2.gz IYCKGRBCPJUNKH-MNEFBYGVSA-N 1 2 366.465 2.520 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncn1C ZINC001095635586 1016900887 /nfs/dbraw/zinc/90/08/87/1016900887.db2.gz IYCKGRBCPJUNKH-MNEFBYGVSA-N 1 2 366.465 2.520 20 30 FFEDLO CCCCCC[C@H](C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131108515 1004729364 /nfs/dbraw/zinc/72/93/64/1004729364.db2.gz UTDQTJTXWWOVEN-RCCFBDPRSA-N 1 2 359.518 2.824 20 30 FFEDLO N#CC1(CS(=O)(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)CCCCC1 ZINC001194482859 1004744165 /nfs/dbraw/zinc/74/41/65/1004744165.db2.gz CSNRQMSYLRGXBP-OALUTQOASA-N 1 2 373.522 2.749 20 30 FFEDLO N#CC1(CS(=O)(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)CCCCC1 ZINC001194482859 1004744171 /nfs/dbraw/zinc/74/41/71/1004744171.db2.gz CSNRQMSYLRGXBP-OALUTQOASA-N 1 2 373.522 2.749 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1O)c1ccccc1 ZINC001198917158 1004778525 /nfs/dbraw/zinc/77/85/25/1004778525.db2.gz GNCCJRNTNGJMQN-MAODMQOUSA-N 1 2 368.452 2.847 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1O)c1ccccc1 ZINC001198917158 1004778531 /nfs/dbraw/zinc/77/85/31/1004778531.db2.gz GNCCJRNTNGJMQN-MAODMQOUSA-N 1 2 368.452 2.847 20 30 FFEDLO Cc1nc(C#N)c(NC(=O)c2ccc(N3CC[NH+](C)CC3)c(Cl)c2)o1 ZINC001194658885 1004787599 /nfs/dbraw/zinc/78/75/99/1004787599.db2.gz OQBVLLPLHAUNOJ-UHFFFAOYSA-N 1 2 359.817 2.512 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2Cl)C[C@H]1O ZINC001195567796 1004998949 /nfs/dbraw/zinc/99/89/49/1004998949.db2.gz STLHKZAHFKTZES-FVQBIDKESA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2Cl)C[C@H]1O ZINC001195567796 1004998955 /nfs/dbraw/zinc/99/89/55/1004998955.db2.gz STLHKZAHFKTZES-FVQBIDKESA-N 1 2 366.889 2.612 20 30 FFEDLO CN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2)C1CCCCC1 ZINC001110543858 1005051830 /nfs/dbraw/zinc/05/18/30/1005051830.db2.gz LQAIDESVOBOCKV-QRVBRYPASA-N 1 2 373.541 2.549 20 30 FFEDLO CN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2)C1CCCCC1 ZINC001110543858 1005051835 /nfs/dbraw/zinc/05/18/35/1005051835.db2.gz LQAIDESVOBOCKV-QRVBRYPASA-N 1 2 373.541 2.549 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ccc(F)c(F)c3)C[C@H]2O)CCC1 ZINC001195940044 1005069389 /nfs/dbraw/zinc/06/93/89/1005069389.db2.gz NGUSLENZYZTDLE-FSPWUOQZSA-N 1 2 364.436 2.934 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ccc(F)c(F)c3)C[C@H]2O)CCC1 ZINC001195940044 1005069395 /nfs/dbraw/zinc/06/93/95/1005069395.db2.gz NGUSLENZYZTDLE-FSPWUOQZSA-N 1 2 364.436 2.934 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(Cl)c1 ZINC001110546112 1005072130 /nfs/dbraw/zinc/07/21/30/1005072130.db2.gz MWTAFHHMCWFAFU-GGBBIFEXSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(Cl)c1 ZINC001110546112 1005072134 /nfs/dbraw/zinc/07/21/34/1005072134.db2.gz MWTAFHHMCWFAFU-GGBBIFEXSA-N 1 2 364.848 2.739 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001195923829 1005074740 /nfs/dbraw/zinc/07/47/40/1005074740.db2.gz NJLZLZXRWQJNFU-NUJGCVRESA-N 1 2 370.415 2.969 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001195923829 1005074747 /nfs/dbraw/zinc/07/47/47/1005074747.db2.gz NJLZLZXRWQJNFU-NUJGCVRESA-N 1 2 370.415 2.969 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000776084996 1005112819 /nfs/dbraw/zinc/11/28/19/1005112819.db2.gz WEJNSBBKINTPIF-JKSUJKDBSA-N 1 2 368.522 2.582 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000776084996 1005112822 /nfs/dbraw/zinc/11/28/22/1005112822.db2.gz WEJNSBBKINTPIF-JKSUJKDBSA-N 1 2 368.522 2.582 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc2n(n1)CCC2 ZINC001110595198 1005405677 /nfs/dbraw/zinc/40/56/77/1005405677.db2.gz FMRVDVFQYOJUNC-RLLQIKCJSA-N 1 2 354.498 2.819 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc2n(n1)CCC2 ZINC001110595198 1005405679 /nfs/dbraw/zinc/40/56/79/1005405679.db2.gz FMRVDVFQYOJUNC-RLLQIKCJSA-N 1 2 354.498 2.819 20 30 FFEDLO C#CCCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccon3)[C@@H]2CC)cc1 ZINC001489114829 1005412814 /nfs/dbraw/zinc/41/28/14/1005412814.db2.gz RGAMLERRSBGATP-VQTJNVASSA-N 1 2 367.449 2.860 20 30 FFEDLO C#CCCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccon3)[C@@H]2CC)cc1 ZINC001489114829 1005412815 /nfs/dbraw/zinc/41/28/15/1005412815.db2.gz RGAMLERRSBGATP-VQTJNVASSA-N 1 2 367.449 2.860 20 30 FFEDLO CC(C)(C)C#CC(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C4CCC4)no3)CC[C@@H]2C1 ZINC001489194823 1005428463 /nfs/dbraw/zinc/42/84/63/1005428463.db2.gz XXKTVJMZKBNKQB-SJORKVTESA-N 1 2 370.497 2.667 20 30 FFEDLO CC(C)(C)C#CC(=O)N1C[C@@H]2C[N@H+](Cc3nc(C4CCC4)no3)CC[C@@H]2C1 ZINC001489194823 1005428464 /nfs/dbraw/zinc/42/84/64/1005428464.db2.gz XXKTVJMZKBNKQB-SJORKVTESA-N 1 2 370.497 2.667 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nccn3C(F)F)CC[C@@H]2C1 ZINC001489201744 1005430522 /nfs/dbraw/zinc/43/05/22/1005430522.db2.gz ZJANAHFHVDOAHN-CVEARBPZSA-N 1 2 364.440 2.752 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H]2C[N@H+](Cc3nccn3C(F)F)CC[C@@H]2C1 ZINC001489201744 1005430523 /nfs/dbraw/zinc/43/05/23/1005430523.db2.gz ZJANAHFHVDOAHN-CVEARBPZSA-N 1 2 364.440 2.752 20 30 FFEDLO Cc1ccc(-c2cnc(C[N@H+]3CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]3C)o2)cc1 ZINC001489255519 1005440180 /nfs/dbraw/zinc/44/01/80/1005440180.db2.gz HFAZFQVGCPWCQH-UXLLHSPISA-N 1 2 352.438 2.889 20 30 FFEDLO Cc1ccc(-c2cnc(C[N@@H+]3CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]3C)o2)cc1 ZINC001489255519 1005440181 /nfs/dbraw/zinc/44/01/81/1005440181.db2.gz HFAZFQVGCPWCQH-UXLLHSPISA-N 1 2 352.438 2.889 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C)n(C)n1 ZINC001110601183 1005475238 /nfs/dbraw/zinc/47/52/38/1005475238.db2.gz MWIGLVIVVDPYEB-OAGGEKHMSA-N 1 2 350.894 2.729 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C)n(C)n1 ZINC001110601183 1005475240 /nfs/dbraw/zinc/47/52/40/1005475240.db2.gz MWIGLVIVVDPYEB-OAGGEKHMSA-N 1 2 350.894 2.729 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(O)cc1 ZINC001110602574 1005487466 /nfs/dbraw/zinc/48/74/66/1005487466.db2.gz XUONLSPNPADWSN-NXHRZFHOSA-N 1 2 371.481 2.655 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(O)cc1 ZINC001110602574 1005487467 /nfs/dbraw/zinc/48/74/67/1005487467.db2.gz XUONLSPNPADWSN-NXHRZFHOSA-N 1 2 371.481 2.655 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COc3cc(F)ccc3C1)C2 ZINC001097072187 1016982066 /nfs/dbraw/zinc/98/20/66/1016982066.db2.gz ZQVXBEZSHFGZMK-DZUCGIPZSA-N 1 2 364.848 2.851 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COc3cc(F)ccc3C1)C2 ZINC001097072187 1016982097 /nfs/dbraw/zinc/98/20/97/1016982097.db2.gz ZQVXBEZSHFGZMK-DZUCGIPZSA-N 1 2 364.848 2.851 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1C1CC1)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001110629861 1005872981 /nfs/dbraw/zinc/87/29/81/1005872981.db2.gz XETNOCLEPCAFLV-VQTJNVASSA-N 1 2 366.509 2.879 20 30 FFEDLO C[C@@]1(C2CC2)C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000852323251 1005976662 /nfs/dbraw/zinc/97/66/62/1005976662.db2.gz YAFREQIYLBVJDY-KKSFZXQISA-N 1 2 362.433 2.725 20 30 FFEDLO C[C@@]1(C2CC2)C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000852323251 1005976666 /nfs/dbraw/zinc/97/66/66/1005976666.db2.gz YAFREQIYLBVJDY-KKSFZXQISA-N 1 2 362.433 2.725 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)[C@@H](C)COC ZINC000852356577 1005991653 /nfs/dbraw/zinc/99/16/53/1005991653.db2.gz IPZZGGBCJZNHGY-INIZCTEOSA-N 1 2 373.497 2.820 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)[C@@H](C)COC ZINC000852356577 1005991659 /nfs/dbraw/zinc/99/16/59/1005991659.db2.gz IPZZGGBCJZNHGY-INIZCTEOSA-N 1 2 373.497 2.820 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001187280637 1005998105 /nfs/dbraw/zinc/99/81/05/1005998105.db2.gz NIJXKNCXAATVNH-OWCLPIDISA-N 1 2 361.486 2.768 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001187280637 1005998113 /nfs/dbraw/zinc/99/81/13/1005998113.db2.gz NIJXKNCXAATVNH-OWCLPIDISA-N 1 2 361.486 2.768 20 30 FFEDLO C#C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCOCC1 ZINC000852640433 1006118601 /nfs/dbraw/zinc/11/86/01/1006118601.db2.gz YVXYZOLTXBPPKT-MJGOQNOKSA-N 1 2 370.497 2.537 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001097096637 1017028229 /nfs/dbraw/zinc/02/82/29/1017028229.db2.gz UACREJVAXWQDDH-MTSZKFMLSA-N 1 2 361.511 2.654 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001097096637 1017028240 /nfs/dbraw/zinc/02/82/40/1017028240.db2.gz UACREJVAXWQDDH-MTSZKFMLSA-N 1 2 361.511 2.654 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1ccncc1)C2 ZINC001097104551 1017043600 /nfs/dbraw/zinc/04/36/00/1017043600.db2.gz CYMLZQMLZAFHPT-YHINDDMVSA-N 1 2 372.472 2.978 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1ccncc1)C2 ZINC001097104551 1017043615 /nfs/dbraw/zinc/04/36/15/1017043615.db2.gz CYMLZQMLZAFHPT-YHINDDMVSA-N 1 2 372.472 2.978 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001188013297 1006378184 /nfs/dbraw/zinc/37/81/84/1006378184.db2.gz YONCYKCBKLTVIE-AZUAARDMSA-N 1 2 367.493 2.926 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001188013297 1006378192 /nfs/dbraw/zinc/37/81/92/1006378192.db2.gz YONCYKCBKLTVIE-AZUAARDMSA-N 1 2 367.493 2.926 20 30 FFEDLO N#CC[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)C1 ZINC000853526674 1006428521 /nfs/dbraw/zinc/42/85/21/1006428521.db2.gz WHZUIWGIKFZNOO-HRAATJIYSA-N 1 2 366.465 2.743 20 30 FFEDLO N#CC[C@@H]1CCC[N@H+](CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)C1 ZINC000853526674 1006428526 /nfs/dbraw/zinc/42/85/26/1006428526.db2.gz WHZUIWGIKFZNOO-HRAATJIYSA-N 1 2 366.465 2.743 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Br)cc1 ZINC001110402158 1006719389 /nfs/dbraw/zinc/71/93/89/1006719389.db2.gz YOMHHZDPICLTNQ-MPESAESLSA-N 1 2 362.271 2.830 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Br)cc1 ZINC001110402158 1006719396 /nfs/dbraw/zinc/71/93/96/1006719396.db2.gz YOMHHZDPICLTNQ-MPESAESLSA-N 1 2 362.271 2.830 20 30 FFEDLO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)ccc1OC ZINC000113308901 1007318982 /nfs/dbraw/zinc/31/89/82/1007318982.db2.gz OAYGJSWRZSOHDJ-APWZRJJASA-N 1 2 371.412 2.831 20 30 FFEDLO N#CCOc1cc(F)ccc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000135310900 1007501940 /nfs/dbraw/zinc/50/19/40/1007501940.db2.gz MGRVKHPSDQKNHB-UHFFFAOYSA-N 1 2 369.400 2.914 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)co1 ZINC001095332321 1007520111 /nfs/dbraw/zinc/52/01/11/1007520111.db2.gz IROIVZLVCXCZMN-HFTRVMKXSA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)co1 ZINC001095332321 1007520120 /nfs/dbraw/zinc/52/01/20/1007520120.db2.gz IROIVZLVCXCZMN-HFTRVMKXSA-N 1 2 368.412 2.783 20 30 FFEDLO O=C(/C=C\c1ccc(F)cc1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC001135891773 1007550231 /nfs/dbraw/zinc/55/02/31/1007550231.db2.gz KXMVUMUUZIRWAQ-FLIBITNWSA-N 1 2 366.436 2.795 20 30 FFEDLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2C[C@H](O)CC2(C#N)CCC2)o1 ZINC000885960909 1007853799 /nfs/dbraw/zinc/85/37/99/1007853799.db2.gz QXRQMLRGUPHQLH-QZTJIDSGSA-N 1 2 352.438 2.922 20 30 FFEDLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2C[C@H](O)CC2(C#N)CCC2)o1 ZINC000885960909 1007853805 /nfs/dbraw/zinc/85/38/05/1007853805.db2.gz QXRQMLRGUPHQLH-QZTJIDSGSA-N 1 2 352.438 2.922 20 30 FFEDLO CO[C@H](CO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1)C1CC1 ZINC000818082148 1007860693 /nfs/dbraw/zinc/86/06/93/1007860693.db2.gz JRHJBCVOBTXMKJ-MRXNPFEDSA-N 1 2 363.458 2.773 20 30 FFEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1cc(C#N)nc(C2CC2)n1 ZINC001206503560 1032317251 /nfs/dbraw/zinc/31/72/51/1032317251.db2.gz WUGGDYQBYBXWCO-UHFFFAOYSA-N 1 2 350.422 2.733 20 30 FFEDLO C#CC[C@H](COC)Nc1nc(N[C@H](CC#C)COC)c2ccccc2[nH+]1 ZINC000858859202 1008438916 /nfs/dbraw/zinc/43/89/16/1008438916.db2.gz DQFZHUSFFQJURC-HZPDHXFCSA-N 1 2 352.438 2.530 20 30 FFEDLO CC(C)OC(=O)C1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000886722190 1008844143 /nfs/dbraw/zinc/84/41/43/1008844143.db2.gz XXDDVMAISCVOPI-UHFFFAOYSA-N 1 2 357.454 2.597 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000860621111 1009085118 /nfs/dbraw/zinc/08/51/18/1009085118.db2.gz DQTOBZCZEBINSO-MRXNPFEDSA-N 1 2 356.426 2.512 20 30 FFEDLO N#Cc1ccccc1CC(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001274013866 1009260497 /nfs/dbraw/zinc/26/04/97/1009260497.db2.gz XBIWMDNGJFOVOX-UHFFFAOYSA-N 1 2 351.372 2.730 20 30 FFEDLO N#Cc1ccccc1CC(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001274013866 1009260508 /nfs/dbraw/zinc/26/05/08/1009260508.db2.gz XBIWMDNGJFOVOX-UHFFFAOYSA-N 1 2 351.372 2.730 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C3)c1 ZINC001095378448 1009693216 /nfs/dbraw/zinc/69/32/16/1009693216.db2.gz ALOWKQYGCQENAH-HZRXROBNSA-N 1 2 363.383 2.820 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C3)c1 ZINC001095378448 1009693220 /nfs/dbraw/zinc/69/32/20/1009693220.db2.gz ALOWKQYGCQENAH-HZRXROBNSA-N 1 2 363.383 2.820 20 30 FFEDLO Cc1cnccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095385589 1009734601 /nfs/dbraw/zinc/73/46/01/1009734601.db2.gz KWOLODJOJGROFA-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cnccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095385589 1009734615 /nfs/dbraw/zinc/73/46/15/1009734615.db2.gz KWOLODJOJGROFA-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2c(C)[nH]c(C(=O)OCC)c2C)c1 ZINC000862228857 1009754041 /nfs/dbraw/zinc/75/40/41/1009754041.db2.gz JXINCEWHGOCUMC-UHFFFAOYSA-N 1 2 367.449 2.860 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2c(C)[nH]c(C(=O)OCC)c2C)c1 ZINC000862228857 1009754055 /nfs/dbraw/zinc/75/40/55/1009754055.db2.gz JXINCEWHGOCUMC-UHFFFAOYSA-N 1 2 367.449 2.860 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F)n1cccc1 ZINC001095317766 1009791564 /nfs/dbraw/zinc/79/15/64/1009791564.db2.gz CXQXOHZBAFGWLE-KTGNWYGMSA-N 1 2 366.440 2.982 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F)n1cccc1 ZINC001095317766 1009791579 /nfs/dbraw/zinc/79/15/79/1009791579.db2.gz CXQXOHZBAFGWLE-KTGNWYGMSA-N 1 2 366.440 2.982 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(CNc2[nH+]cnc3c2cnn3C)C1 ZINC001093128581 1009966944 /nfs/dbraw/zinc/96/69/44/1009966944.db2.gz NHCUMASZTPIMKW-YWZLYKJASA-N 1 2 368.485 2.760 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)COC(C)(C)C ZINC001206889775 1032482832 /nfs/dbraw/zinc/48/28/32/1032482832.db2.gz IUWUCTBQXSZFSC-CRAIPNDOSA-N 1 2 362.901 2.943 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)COC(C)(C)C ZINC001206889775 1032482833 /nfs/dbraw/zinc/48/28/33/1032482833.db2.gz IUWUCTBQXSZFSC-CRAIPNDOSA-N 1 2 362.901 2.943 20 30 FFEDLO N#CCOc1cc(F)ccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000120142409 1010527445 /nfs/dbraw/zinc/52/74/45/1010527445.db2.gz HWMHCDNQFIIJKG-LJQANCHMSA-N 1 2 369.396 2.568 20 30 FFEDLO N#CCOc1cc(F)ccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000120142409 1010527455 /nfs/dbraw/zinc/52/74/55/1010527455.db2.gz HWMHCDNQFIIJKG-LJQANCHMSA-N 1 2 369.396 2.568 20 30 FFEDLO C#Cc1cccc(NC(=S)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)c1 ZINC000865263788 1010754108 /nfs/dbraw/zinc/75/41/08/1010754108.db2.gz XKKMTZIYISPESW-UHFFFAOYSA-N 1 2 373.522 2.760 20 30 FFEDLO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1sccc1CC#N ZINC000865994584 1010902579 /nfs/dbraw/zinc/90/25/79/1010902579.db2.gz OHDSMYMRNOHYFH-UHFFFAOYSA-N 1 2 368.506 2.708 20 30 FFEDLO N#Cc1ccc(-c2cccc(CNC(=O)/C=C/C[NH+]3CCOCC3)c2)s1 ZINC000866005545 1010905391 /nfs/dbraw/zinc/90/53/91/1010905391.db2.gz QALZMKBRJLIDFD-GORDUTHDSA-N 1 2 367.474 2.791 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3)o2)C[C@H]1C ZINC001206939831 1032514014 /nfs/dbraw/zinc/51/40/14/1032514014.db2.gz WLDQZABRHJRGGV-SJLPKXTDSA-N 1 2 351.450 2.938 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3)o2)C[C@H]1C ZINC001206939831 1032514015 /nfs/dbraw/zinc/51/40/15/1032514015.db2.gz WLDQZABRHJRGGV-SJLPKXTDSA-N 1 2 351.450 2.938 20 30 FFEDLO Cc1ccc([C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2O)N2CCOCC2)o1 ZINC000866220512 1010953734 /nfs/dbraw/zinc/95/37/34/1010953734.db2.gz GSGTVIKFBJSOJW-CRAIPNDOSA-N 1 2 355.438 2.889 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(C#N)c1O ZINC000866240353 1010959907 /nfs/dbraw/zinc/95/99/07/1010959907.db2.gz CIGSDIGPUGGSIA-UONOGXRCSA-N 1 2 373.478 2.926 20 30 FFEDLO C[C@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1cccc(C#N)c1O ZINC000866398825 1010987745 /nfs/dbraw/zinc/98/77/45/1010987745.db2.gz ROQOOVDQORUPNN-ZFWWWQNUSA-N 1 2 361.442 2.550 20 30 FFEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H]1Cc2cccc(F)c2C1 ZINC001171797580 1011481688 /nfs/dbraw/zinc/48/16/88/1011481688.db2.gz WRYZFSVGORGJHC-BEFAXECRSA-N 1 2 356.445 2.706 20 30 FFEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1[C@@H]1Cc2cccc(F)c2C1 ZINC001171797580 1011481694 /nfs/dbraw/zinc/48/16/94/1011481694.db2.gz WRYZFSVGORGJHC-BEFAXECRSA-N 1 2 356.445 2.706 20 30 FFEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1)C(=O)OCC ZINC001171876470 1011494924 /nfs/dbraw/zinc/49/49/24/1011494924.db2.gz BYQRLDNQVQQJDZ-LVCYWYKZSA-N 1 2 356.466 2.779 20 30 FFEDLO CCn1ccnc1C[N@@H+]1CCC2(CN(C(=O)C#CC3CCCCC3)C2)C1 ZINC001274702468 1011602144 /nfs/dbraw/zinc/60/21/44/1011602144.db2.gz OTYVXRHTKNEERB-UHFFFAOYSA-N 1 2 354.498 2.521 20 30 FFEDLO CCn1ccnc1C[N@H+]1CCC2(CN(C(=O)C#CC3CCCCC3)C2)C1 ZINC001274702468 1011602154 /nfs/dbraw/zinc/60/21/54/1011602154.db2.gz OTYVXRHTKNEERB-UHFFFAOYSA-N 1 2 354.498 2.521 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCC(C)(C#N)CC3)C2)c1 ZINC000869096028 1011608696 /nfs/dbraw/zinc/60/86/96/1011608696.db2.gz FBIWSCDKDZYEOM-IBGZPJMESA-N 1 2 370.497 2.531 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCC(C)(C#N)CC3)C2)c1 ZINC000869096028 1011608705 /nfs/dbraw/zinc/60/87/05/1011608705.db2.gz FBIWSCDKDZYEOM-IBGZPJMESA-N 1 2 370.497 2.531 20 30 FFEDLO C#CCOc1ccccc1C[NH+]1CC(C)(c2nnc(C3CCOCC3)o2)C1 ZINC000828039345 1032582807 /nfs/dbraw/zinc/58/28/07/1032582807.db2.gz BHBRKFIECWZSNR-UHFFFAOYSA-N 1 2 367.449 2.749 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cccc(O)c2Br)C1=O ZINC001275208265 1012078633 /nfs/dbraw/zinc/07/86/33/1012078633.db2.gz FTTYVOJTLDRLKI-KRWDZBQOSA-N 1 2 365.271 2.908 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(O)c2Br)C1=O ZINC001275208265 1012078643 /nfs/dbraw/zinc/07/86/43/1012078643.db2.gz FTTYVOJTLDRLKI-KRWDZBQOSA-N 1 2 365.271 2.908 20 30 FFEDLO N#CCCCN1CC[C@]2(CC[N@@H+](Cc3nc(C(F)(F)F)cs3)C2)C1=O ZINC001275206755 1012082138 /nfs/dbraw/zinc/08/21/38/1012082138.db2.gz CSASZOLKVDIHSP-HNNXBMFYSA-N 1 2 372.416 2.890 20 30 FFEDLO N#CCCCN1CC[C@]2(CC[N@H+](Cc3nc(C(F)(F)F)cs3)C2)C1=O ZINC001275206755 1012082155 /nfs/dbraw/zinc/08/21/55/1012082155.db2.gz CSASZOLKVDIHSP-HNNXBMFYSA-N 1 2 372.416 2.890 20 30 FFEDLO N#Cc1ccc(NCCCCCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)nc1 ZINC001095004997 1012231288 /nfs/dbraw/zinc/23/12/88/1012231288.db2.gz CKNDNGSNNIVPEE-HZPDHXFCSA-N 1 2 352.442 2.569 20 30 FFEDLO N#Cc1ccc(NCCCCCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)nc1 ZINC001095004997 1012231302 /nfs/dbraw/zinc/23/13/02/1012231302.db2.gz CKNDNGSNNIVPEE-HZPDHXFCSA-N 1 2 352.442 2.569 20 30 FFEDLO N#Cc1cnc(NCCCCCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c(F)c1 ZINC001095005377 1012234046 /nfs/dbraw/zinc/23/40/46/1012234046.db2.gz MSVFQWXFHDINHQ-HUUCEWRRSA-N 1 2 370.432 2.708 20 30 FFEDLO N#Cc1cnc(NCCCCCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c(F)c1 ZINC001095005377 1012234064 /nfs/dbraw/zinc/23/40/64/1012234064.db2.gz MSVFQWXFHDINHQ-HUUCEWRRSA-N 1 2 370.432 2.708 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Br)cn1 ZINC001275376847 1012388190 /nfs/dbraw/zinc/38/81/90/1012388190.db2.gz HZGVQHSBFBSTJX-HUUCEWRRSA-N 1 2 350.260 2.595 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Br)cn1 ZINC001275376847 1012388210 /nfs/dbraw/zinc/38/82/10/1012388210.db2.gz HZGVQHSBFBSTJX-HUUCEWRRSA-N 1 2 350.260 2.595 20 30 FFEDLO N#Cc1cccc(CN2C[C@]3(CC2=O)CCCC[N@@H+]3Cc2ccon2)c1 ZINC001275382081 1012397866 /nfs/dbraw/zinc/39/78/66/1012397866.db2.gz AJLOCWZSNNZTMU-HXUWFJFHSA-N 1 2 350.422 2.703 20 30 FFEDLO N#Cc1cccc(CN2C[C@]3(CC2=O)CCCC[N@H+]3Cc2ccon2)c1 ZINC001275382081 1012397884 /nfs/dbraw/zinc/39/78/84/1012397884.db2.gz AJLOCWZSNNZTMU-HXUWFJFHSA-N 1 2 350.422 2.703 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCOc3ccccc3OC)[C@@H]2C1 ZINC001221992444 1032627218 /nfs/dbraw/zinc/62/72/18/1032627218.db2.gz QJNJKMQPUMBMOS-HZPDHXFCSA-N 1 2 364.873 2.749 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCOc3ccccc3OC)[C@@H]2C1 ZINC001221992444 1032627222 /nfs/dbraw/zinc/62/72/22/1032627222.db2.gz QJNJKMQPUMBMOS-HZPDHXFCSA-N 1 2 364.873 2.749 20 30 FFEDLO Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)n1 ZINC001095186736 1012670652 /nfs/dbraw/zinc/67/06/52/1012670652.db2.gz OMHVIFGSOUXBEF-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)n1 ZINC001095186736 1012670662 /nfs/dbraw/zinc/67/06/62/1012670662.db2.gz OMHVIFGSOUXBEF-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccnc(F)c2)C3)ccc1F ZINC001095226840 1012753834 /nfs/dbraw/zinc/75/38/34/1012753834.db2.gz BKVQXLGLDSCPFV-NJAFHUGGSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccnc(F)c2)C3)ccc1F ZINC001095226840 1012753849 /nfs/dbraw/zinc/75/38/49/1012753849.db2.gz BKVQXLGLDSCPFV-NJAFHUGGSA-N 1 2 368.387 2.767 20 30 FFEDLO Cc1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)s1 ZINC001095227282 1012756928 /nfs/dbraw/zinc/75/69/28/1012756928.db2.gz TXTQMTRLTVRWAP-UGFHNGPFSA-N 1 2 358.492 2.920 20 30 FFEDLO Cc1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)s1 ZINC001095227282 1012756939 /nfs/dbraw/zinc/75/69/39/1012756939.db2.gz TXTQMTRLTVRWAP-UGFHNGPFSA-N 1 2 358.492 2.920 20 30 FFEDLO Cc1ncoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001095270255 1013027112 /nfs/dbraw/zinc/02/71/12/1013027112.db2.gz GQLYMOYYEPFXCB-SQNIBIBYSA-N 1 2 353.397 2.509 20 30 FFEDLO Cc1ncoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001095270255 1013027128 /nfs/dbraw/zinc/02/71/28/1013027128.db2.gz GQLYMOYYEPFXCB-SQNIBIBYSA-N 1 2 353.397 2.509 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)c(C)nn1 ZINC001097134995 1017091153 /nfs/dbraw/zinc/09/11/53/1017091153.db2.gz PBTDPLMHCSFDNG-XWIAVFTESA-N 1 2 367.478 2.562 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)c(C)nn1 ZINC001097134995 1017091161 /nfs/dbraw/zinc/09/11/61/1017091161.db2.gz PBTDPLMHCSFDNG-XWIAVFTESA-N 1 2 367.478 2.562 20 30 FFEDLO CCCCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001217302193 1032683219 /nfs/dbraw/zinc/68/32/19/1032683219.db2.gz YAGRIIKFHTXPBD-RBUKOAKNSA-N 1 2 359.445 2.689 20 30 FFEDLO CCCCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001217302193 1032683225 /nfs/dbraw/zinc/68/32/25/1032683225.db2.gz YAGRIIKFHTXPBD-RBUKOAKNSA-N 1 2 359.445 2.689 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c(CC)nn(C)c1CC)C2 ZINC001097237176 1017231866 /nfs/dbraw/zinc/23/18/66/1017231866.db2.gz GSPTXHJLICRSIQ-QBIMZIAESA-N 1 2 364.921 2.561 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c(CC)nn(C)c1CC)C2 ZINC001097237176 1017231875 /nfs/dbraw/zinc/23/18/75/1017231875.db2.gz GSPTXHJLICRSIQ-QBIMZIAESA-N 1 2 364.921 2.561 20 30 FFEDLO Cc1cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(C#N)[nH]2)C3)nc(C(C)C)[nH+]1 ZINC001055315538 1017289336 /nfs/dbraw/zinc/28/93/36/1017289336.db2.gz WBBRADUACNNTPM-OIISXLGYSA-N 1 2 364.453 2.648 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2cncs2)C3)c(F)c1 ZINC001097273785 1017289688 /nfs/dbraw/zinc/28/96/88/1017289688.db2.gz ASAHCAUJYHOAIA-OLMNPRSZSA-N 1 2 370.453 2.618 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2cncs2)C3)c(F)c1 ZINC001097273785 1017289697 /nfs/dbraw/zinc/28/96/97/1017289697.db2.gz ASAHCAUJYHOAIA-OLMNPRSZSA-N 1 2 370.453 2.618 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCC2(F)F)C3)c(F)c1 ZINC001097304988 1017314949 /nfs/dbraw/zinc/31/49/49/1017314949.db2.gz HTMBBPWMOKUQHK-SRABZTEZSA-N 1 2 363.383 2.964 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCC2(F)F)C3)c(F)c1 ZINC001097304988 1017314964 /nfs/dbraw/zinc/31/49/64/1017314964.db2.gz HTMBBPWMOKUQHK-SRABZTEZSA-N 1 2 363.383 2.964 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncc(F)cc2F)C3)s1 ZINC001097345735 1017380278 /nfs/dbraw/zinc/38/02/78/1017380278.db2.gz UFBYAKDLVIXFFQ-LYRGGWFBSA-N 1 2 374.416 2.828 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncc(F)cc2F)C3)s1 ZINC001097345735 1017380290 /nfs/dbraw/zinc/38/02/90/1017380290.db2.gz UFBYAKDLVIXFFQ-LYRGGWFBSA-N 1 2 374.416 2.828 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001057760015 1017406413 /nfs/dbraw/zinc/40/64/13/1017406413.db2.gz FGPPJPBBBBYLQF-ZACQAIPSSA-N 1 2 358.486 2.902 20 30 FFEDLO CCCc1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001097405227 1017464681 /nfs/dbraw/zinc/46/46/81/1017464681.db2.gz JZSXKYUSFTZLBK-UIFIKXQLSA-N 1 2 362.477 2.749 20 30 FFEDLO CCCc1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001097405227 1017464686 /nfs/dbraw/zinc/46/46/86/1017464686.db2.gz JZSXKYUSFTZLBK-UIFIKXQLSA-N 1 2 362.477 2.749 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000679901532 1017685541 /nfs/dbraw/zinc/68/55/41/1017685541.db2.gz UBZGHFOXSWXTTF-MAUKXSAKSA-N 1 2 356.388 2.948 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000679901532 1017685547 /nfs/dbraw/zinc/68/55/47/1017685547.db2.gz UBZGHFOXSWXTTF-MAUKXSAKSA-N 1 2 356.388 2.948 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CCCC2)CC1 ZINC001097788508 1017959724 /nfs/dbraw/zinc/95/97/24/1017959724.db2.gz HUDFYAFTWBOFCY-QRVBRYPASA-N 1 2 359.514 2.513 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CCCC2)CC1 ZINC001097788508 1017959736 /nfs/dbraw/zinc/95/97/36/1017959736.db2.gz HUDFYAFTWBOFCY-QRVBRYPASA-N 1 2 359.514 2.513 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)c1 ZINC001097812809 1017977379 /nfs/dbraw/zinc/97/73/79/1017977379.db2.gz CQKHINBCVCDHQL-NRSPTQNISA-N 1 2 374.419 2.609 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)c1 ZINC001097812809 1017977388 /nfs/dbraw/zinc/97/73/88/1017977388.db2.gz CQKHINBCVCDHQL-NRSPTQNISA-N 1 2 374.419 2.609 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ocnc1C1CC1 ZINC001097846243 1017998685 /nfs/dbraw/zinc/99/86/85/1017998685.db2.gz ZBLIAYFSOGQWED-QRVBRYPASA-N 1 2 361.445 2.939 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ocnc1C1CC1 ZINC001097846243 1017998694 /nfs/dbraw/zinc/99/86/94/1017998694.db2.gz ZBLIAYFSOGQWED-QRVBRYPASA-N 1 2 361.445 2.939 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C(F)(F)F ZINC001110913086 1018075173 /nfs/dbraw/zinc/07/51/73/1018075173.db2.gz UCUBPJNRBCDLLF-MPESAESLSA-N 1 2 351.372 2.978 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C(F)(F)F ZINC001110913086 1018075180 /nfs/dbraw/zinc/07/51/80/1018075180.db2.gz UCUBPJNRBCDLLF-MPESAESLSA-N 1 2 351.372 2.978 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C(F)(F)F ZINC001110913087 1018075210 /nfs/dbraw/zinc/07/52/10/1018075210.db2.gz UCUBPJNRBCDLLF-SRMUXQRQSA-N 1 2 351.372 2.978 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C(F)(F)F ZINC001110913087 1018075221 /nfs/dbraw/zinc/07/52/21/1018075221.db2.gz UCUBPJNRBCDLLF-SRMUXQRQSA-N 1 2 351.372 2.978 20 30 FFEDLO CC[C@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1cccc(C#N)c1O ZINC000926773177 1018246172 /nfs/dbraw/zinc/24/61/72/1018246172.db2.gz UVNQSJNHJOCXFP-ICSRJNTNSA-N 1 2 366.465 2.601 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)C(C)C ZINC001110935139 1018712095 /nfs/dbraw/zinc/71/20/95/1018712095.db2.gz ZBLMUVRWFVJDCF-MLHJIOFPSA-N 1 2 370.559 2.524 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)C(C)C ZINC001110935139 1018712103 /nfs/dbraw/zinc/71/21/03/1018712103.db2.gz ZBLMUVRWFVJDCF-MLHJIOFPSA-N 1 2 370.559 2.524 20 30 FFEDLO CC(C)(C)/C=C/C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001217566512 1032785307 /nfs/dbraw/zinc/78/53/07/1032785307.db2.gz UWWLAAFNFVZLEX-RRCSEMEMSA-N 1 2 370.468 2.691 20 30 FFEDLO CC(C)(C)/C=C/C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001217566512 1032785319 /nfs/dbraw/zinc/78/53/19/1032785319.db2.gz UWWLAAFNFVZLEX-RRCSEMEMSA-N 1 2 370.468 2.691 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001047032523 1018863404 /nfs/dbraw/zinc/86/34/04/1018863404.db2.gz LTHPHHUXUQEBMZ-LFEHRJTNSA-N 1 2 370.497 2.562 20 30 FFEDLO Cc1cc(N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC001043122983 1019202743 /nfs/dbraw/zinc/20/27/43/1019202743.db2.gz GILKUSDQEGGGEB-MLGOLLRUSA-N 1 2 352.442 2.681 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)ccn1 ZINC001096210682 1019391753 /nfs/dbraw/zinc/39/17/53/1019391753.db2.gz KCXBVXSCCLPQLY-HKBOAZHASA-N 1 2 363.436 2.916 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)ccn1 ZINC001096210682 1019391768 /nfs/dbraw/zinc/39/17/68/1019391768.db2.gz KCXBVXSCCLPQLY-HKBOAZHASA-N 1 2 363.436 2.916 20 30 FFEDLO Cc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001095944037 1019399701 /nfs/dbraw/zinc/39/97/01/1019399701.db2.gz XBMGESPHLRFMIT-GIVPXCGWSA-N 1 2 363.436 2.916 20 30 FFEDLO Cc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001095944037 1019399716 /nfs/dbraw/zinc/39/97/16/1019399716.db2.gz XBMGESPHLRFMIT-GIVPXCGWSA-N 1 2 363.436 2.916 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc4ccccc4c3)n2CC)CC1 ZINC000801825369 1019420900 /nfs/dbraw/zinc/42/09/00/1019420900.db2.gz BXQCQYJIZGBEJR-UHFFFAOYSA-N 1 2 359.477 2.797 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)c(C)o1 ZINC001096233780 1019510631 /nfs/dbraw/zinc/51/06/31/1019510631.db2.gz CZOZSKDCMMNJJO-QYZOEREBSA-N 1 2 367.424 2.817 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)c(C)o1 ZINC001096233780 1019510642 /nfs/dbraw/zinc/51/06/42/1019510642.db2.gz CZOZSKDCMMNJJO-QYZOEREBSA-N 1 2 367.424 2.817 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](Nc2cc[nH+]c(C)n2)C(C)(C)C1 ZINC001069624537 1019521636 /nfs/dbraw/zinc/52/16/36/1019521636.db2.gz CFPZSWHAIQUSNC-JZXOWHBKSA-N 1 2 358.486 2.805 20 30 FFEDLO Cc1nocc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095952321 1019569499 /nfs/dbraw/zinc/56/94/99/1019569499.db2.gz YVASAPXLZBWVMQ-JLSDUUJJSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1nocc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095952321 1019569520 /nfs/dbraw/zinc/56/95/20/1019569520.db2.gz YVASAPXLZBWVMQ-JLSDUUJJSA-N 1 2 354.385 2.529 20 30 FFEDLO N#CC1(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CCSCC1 ZINC000901931200 1019611051 /nfs/dbraw/zinc/61/10/51/1019611051.db2.gz LHGKBINUTXNNBB-UHFFFAOYSA-N 1 2 370.478 2.857 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)c1 ZINC001095988153 1019699110 /nfs/dbraw/zinc/69/91/10/1019699110.db2.gz XAPQAJVCAWVKFQ-GIVPXCGWSA-N 1 2 374.419 2.609 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)c1 ZINC001095988153 1019699123 /nfs/dbraw/zinc/69/91/23/1019699123.db2.gz XAPQAJVCAWVKFQ-GIVPXCGWSA-N 1 2 374.419 2.609 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnoc1C1CC1)C2 ZINC001096271080 1019757635 /nfs/dbraw/zinc/75/76/35/1019757635.db2.gz HZQUOFMJAKAOHF-NEWSRXKRSA-N 1 2 362.433 2.959 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnoc1C1CC1)C2 ZINC001096271080 1019757653 /nfs/dbraw/zinc/75/76/53/1019757653.db2.gz HZQUOFMJAKAOHF-NEWSRXKRSA-N 1 2 362.433 2.959 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)CCOCc3ccccc3)CCO2)c1 ZINC000930134624 1019886042 /nfs/dbraw/zinc/88/60/42/1019886042.db2.gz IVJVCRCDBCDKSP-VXKWHMMOSA-N 1 2 366.461 2.899 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)CCOCc3ccccc3)CCO2)c1 ZINC000930134624 1019886051 /nfs/dbraw/zinc/88/60/51/1019886051.db2.gz IVJVCRCDBCDKSP-VXKWHMMOSA-N 1 2 366.461 2.899 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1Cc3ccncc3C1)C2 ZINC001096019624 1019941556 /nfs/dbraw/zinc/94/15/56/1019941556.db2.gz PXJHZVUXNZYDQG-FKVLARQCSA-N 1 2 372.472 2.590 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1Cc3ccncc3C1)C2 ZINC001096019624 1019941566 /nfs/dbraw/zinc/94/15/66/1019941566.db2.gz PXJHZVUXNZYDQG-FKVLARQCSA-N 1 2 372.472 2.590 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000930249827 1019947683 /nfs/dbraw/zinc/94/76/83/1019947683.db2.gz UHYBXWMSECQGQB-LBPRGKRZSA-N 1 2 370.375 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccccc2o1 ZINC001096027063 1019975249 /nfs/dbraw/zinc/97/52/49/1019975249.db2.gz HKZXMWQPJGNHGT-SSGTUYFUSA-N 1 2 367.449 2.640 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccccc2o1 ZINC001096027063 1019975261 /nfs/dbraw/zinc/97/52/61/1019975261.db2.gz HKZXMWQPJGNHGT-SSGTUYFUSA-N 1 2 367.449 2.640 20 30 FFEDLO C#CCCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3sccc3Cl)C[C@@H]21 ZINC001217757812 1032866072 /nfs/dbraw/zinc/86/60/72/1032866072.db2.gz ASWSQMMDOORIOO-LSDHHAIUSA-N 1 2 352.887 2.617 20 30 FFEDLO C#CCCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3sccc3Cl)C[C@@H]21 ZINC001217757812 1032866085 /nfs/dbraw/zinc/86/60/85/1032866085.db2.gz ASWSQMMDOORIOO-LSDHHAIUSA-N 1 2 352.887 2.617 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)sc1C ZINC001096035673 1020015805 /nfs/dbraw/zinc/01/58/05/1020015805.db2.gz LVTVXIVKIIBSAO-YONAWACDSA-N 1 2 361.511 2.573 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)sc1C ZINC001096035673 1020015817 /nfs/dbraw/zinc/01/58/17/1020015817.db2.gz LVTVXIVKIIBSAO-YONAWACDSA-N 1 2 361.511 2.573 20 30 FFEDLO COCC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001111428875 1020075013 /nfs/dbraw/zinc/07/50/13/1020075013.db2.gz ONBJLWLESGDKPK-AZFSHXRASA-N 1 2 359.445 2.591 20 30 FFEDLO COCC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001111428875 1020075025 /nfs/dbraw/zinc/07/50/25/1020075025.db2.gz ONBJLWLESGDKPK-AZFSHXRASA-N 1 2 359.445 2.591 20 30 FFEDLO C[C@@H]1CN(Cc2cncc(C#N)c2)C(C)(C)C[N@@H+]1Cc1cncc(C#N)c1 ZINC000930587233 1020092148 /nfs/dbraw/zinc/09/21/48/1020092148.db2.gz IOLXZZCDCVAMMW-MRXNPFEDSA-N 1 2 360.465 2.705 20 30 FFEDLO C[C@@H]1CN(Cc2cncc(C#N)c2)C(C)(C)C[N@H+]1Cc1cncc(C#N)c1 ZINC000930587233 1020092163 /nfs/dbraw/zinc/09/21/63/1020092163.db2.gz IOLXZZCDCVAMMW-MRXNPFEDSA-N 1 2 360.465 2.705 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cncc(C#N)c2)C(C)(C)CN1Cc1cncc(C#N)c1 ZINC000930587233 1020092172 /nfs/dbraw/zinc/09/21/72/1020092172.db2.gz IOLXZZCDCVAMMW-MRXNPFEDSA-N 1 2 360.465 2.705 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)C(C)(C)CN1Cc1cncc(C#N)c1 ZINC000930587233 1020092186 /nfs/dbraw/zinc/09/21/86/1020092186.db2.gz IOLXZZCDCVAMMW-MRXNPFEDSA-N 1 2 360.465 2.705 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNc1cc[nH+]c(C)n1 ZINC001048382786 1020185833 /nfs/dbraw/zinc/18/58/33/1020185833.db2.gz QDISSVSIQZPXHG-SPUZQDLCSA-N 1 2 358.486 2.805 20 30 FFEDLO Cc1nc(C(C)C)ccc1C[N@H+]1C[C@H]2OCCN(C(=O)C#CC(C)C)[C@H]2C1 ZINC001217844188 1032886132 /nfs/dbraw/zinc/88/61/32/1032886132.db2.gz RBWLQBFNZASTOE-LEWJYISDSA-N 1 2 369.509 2.584 20 30 FFEDLO Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@H]2OCCN(C(=O)C#CC(C)C)[C@H]2C1 ZINC001217844188 1032886148 /nfs/dbraw/zinc/88/61/48/1032886148.db2.gz RBWLQBFNZASTOE-LEWJYISDSA-N 1 2 369.509 2.584 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(F)cc(F)c2)nc1 ZINC001096372036 1020257323 /nfs/dbraw/zinc/25/73/23/1020257323.db2.gz DUUCLWBTJSIHCE-HOJAQTOUSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(F)cc(F)c2)nc1 ZINC001096372036 1020257330 /nfs/dbraw/zinc/25/73/30/1020257330.db2.gz DUUCLWBTJSIHCE-HOJAQTOUSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(F)c2F)nc1 ZINC001096372188 1020257348 /nfs/dbraw/zinc/25/73/48/1020257348.db2.gz IJPFLUZSMFFKTL-MNEFBYGVSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(F)c2F)nc1 ZINC001096372188 1020257354 /nfs/dbraw/zinc/25/73/54/1020257354.db2.gz IJPFLUZSMFFKTL-MNEFBYGVSA-N 1 2 367.399 2.876 20 30 FFEDLO NC(=NOCc1cccc(F)c1F)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000725791958 1020259407 /nfs/dbraw/zinc/25/94/07/1020259407.db2.gz BGKITOVDRXHGGJ-UHFFFAOYSA-N 1 2 361.392 2.634 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC001073051151 1020353583 /nfs/dbraw/zinc/35/35/83/1020353583.db2.gz PVYSCUYXUGNXDW-LPHOPBHVSA-N 1 2 371.481 2.568 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC001073051151 1020353598 /nfs/dbraw/zinc/35/35/98/1020353598.db2.gz PVYSCUYXUGNXDW-LPHOPBHVSA-N 1 2 371.481 2.568 20 30 FFEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3CCOC[C@H]3CC3CCOCC3)n2)cc1 ZINC000902669600 1020388314 /nfs/dbraw/zinc/38/83/14/1020388314.db2.gz IKXPNHZOMICOEH-HXUWFJFHSA-N 1 2 366.465 2.897 20 30 FFEDLO N#Cc1ccc(-c2ccn(C[N@H+]3CCOC[C@H]3CC3CCOCC3)n2)cc1 ZINC000902669600 1020388321 /nfs/dbraw/zinc/38/83/21/1020388321.db2.gz IKXPNHZOMICOEH-HXUWFJFHSA-N 1 2 366.465 2.897 20 30 FFEDLO CC[N@H+](CCC(F)(F)F)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000726589255 1020491309 /nfs/dbraw/zinc/49/13/09/1020491309.db2.gz TYWLPJRFDSSZBH-UHFFFAOYSA-N 1 2 368.359 2.554 20 30 FFEDLO CC[N@@H+](CCC(F)(F)F)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000726589255 1020491311 /nfs/dbraw/zinc/49/13/11/1020491311.db2.gz TYWLPJRFDSSZBH-UHFFFAOYSA-N 1 2 368.359 2.554 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001073421056 1020578401 /nfs/dbraw/zinc/57/84/01/1020578401.db2.gz OCPUPBQVIKYFPW-BFYDXBDKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001073421056 1020578406 /nfs/dbraw/zinc/57/84/06/1020578406.db2.gz OCPUPBQVIKYFPW-BFYDXBDKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001073813375 1020621640 /nfs/dbraw/zinc/62/16/40/1020621640.db2.gz XICJDVRPZGXGGA-BHYGNILZSA-N 1 2 366.864 2.889 20 30 FFEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001073813375 1020621644 /nfs/dbraw/zinc/62/16/44/1020621644.db2.gz XICJDVRPZGXGGA-BHYGNILZSA-N 1 2 366.864 2.889 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)OCC)C[C@@H]21 ZINC001222365225 1032913945 /nfs/dbraw/zinc/91/39/45/1032913945.db2.gz LLGRDKZMBWZNSK-ILXRZTDVSA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)OCC)C[C@@H]21 ZINC001222365225 1032913954 /nfs/dbraw/zinc/91/39/54/1032913954.db2.gz LLGRDKZMBWZNSK-ILXRZTDVSA-N 1 2 359.308 2.633 20 30 FFEDLO CC(C)n1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)n1 ZINC001096093588 1020627248 /nfs/dbraw/zinc/62/72/48/1020627248.db2.gz OLSQYWMIRZNBBZ-HOJAQTOUSA-N 1 2 363.465 2.871 20 30 FFEDLO CC(C)n1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)n1 ZINC001096093588 1020627257 /nfs/dbraw/zinc/62/72/57/1020627257.db2.gz OLSQYWMIRZNBBZ-HOJAQTOUSA-N 1 2 363.465 2.871 20 30 FFEDLO C=CCCCCC[N@H+]1C[C@H]2OCCN(C(=O)C(F)C(F)(F)F)[C@H]2C1 ZINC001217954060 1032918720 /nfs/dbraw/zinc/91/87/20/1032918720.db2.gz LNUVNOYMQABQBU-BFHYXJOUSA-N 1 2 352.372 2.545 20 30 FFEDLO C=CCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)C(F)C(F)(F)F)[C@H]2C1 ZINC001217954060 1032918731 /nfs/dbraw/zinc/91/87/31/1032918731.db2.gz LNUVNOYMQABQBU-BFHYXJOUSA-N 1 2 352.372 2.545 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000803222788 1020694446 /nfs/dbraw/zinc/69/44/46/1020694446.db2.gz HYRPJQJYSWNYQY-HNNXBMFYSA-N 1 2 352.413 2.869 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cnc(C)s3)C[C@@H]21 ZINC001217966440 1032922411 /nfs/dbraw/zinc/92/24/11/1032922411.db2.gz PWWPJKDKBDRAQK-ZWKOTPCHSA-N 1 2 361.511 2.632 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3cnc(C)s3)C[C@@H]21 ZINC001217966440 1032922421 /nfs/dbraw/zinc/92/24/21/1032922421.db2.gz PWWPJKDKBDRAQK-ZWKOTPCHSA-N 1 2 361.511 2.632 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)c1cccnc1 ZINC001098236017 1020754361 /nfs/dbraw/zinc/75/43/61/1020754361.db2.gz ZEEOOSHWJKOVRA-DOVSJBTNSA-N 1 2 360.461 2.978 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)c1cccnc1 ZINC001098236017 1020754364 /nfs/dbraw/zinc/75/43/64/1020754364.db2.gz ZEEOOSHWJKOVRA-DOVSJBTNSA-N 1 2 360.461 2.978 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cncnc1C1CC1 ZINC001098307442 1020807219 /nfs/dbraw/zinc/80/72/19/1020807219.db2.gz AIJYJKASWKUDHL-NRSPTQNISA-N 1 2 372.472 2.741 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cncnc1C1CC1 ZINC001098307442 1020807225 /nfs/dbraw/zinc/80/72/25/1020807225.db2.gz AIJYJKASWKUDHL-NRSPTQNISA-N 1 2 372.472 2.741 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cnc(OC)c(C#N)c1 ZINC000932517070 1020824405 /nfs/dbraw/zinc/82/44/05/1020824405.db2.gz PRXNQQNNTPHSQZ-UHFFFAOYSA-N 1 2 356.430 2.665 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[N@H+](CCC(=O)Nc2ccccc2C#N)[C@H]2C[C@H]21 ZINC000932732728 1020888238 /nfs/dbraw/zinc/88/82/38/1020888238.db2.gz WXKHZFHJCVRCLT-DLBZAZTESA-N 1 2 370.453 2.580 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@H]2C[C@H]21 ZINC000932732728 1020888246 /nfs/dbraw/zinc/88/82/46/1020888246.db2.gz WXKHZFHJCVRCLT-DLBZAZTESA-N 1 2 370.453 2.580 20 30 FFEDLO C#CCNC(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000749275573 1020913241 /nfs/dbraw/zinc/91/32/41/1020913241.db2.gz JOENCAOUGZXZGG-HXUWFJFHSA-N 1 2 370.836 2.540 20 30 FFEDLO CCOC(=O)c1sc(SC)c(C#N)c1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218006348 1032947950 /nfs/dbraw/zinc/94/79/50/1032947950.db2.gz QRTAPRKTBYSNLS-SECBINFHSA-N 1 2 362.423 2.894 20 30 FFEDLO CN(C)c1ccnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)c1 ZINC001098486531 1020959150 /nfs/dbraw/zinc/95/91/50/1020959150.db2.gz JQJXSHUQBYYADB-SJBKTWHCSA-N 1 2 374.488 2.534 20 30 FFEDLO CN(C)c1ccnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)c1 ZINC001098486531 1020959152 /nfs/dbraw/zinc/95/91/52/1020959152.db2.gz JQJXSHUQBYYADB-SJBKTWHCSA-N 1 2 374.488 2.534 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)OCCc3ccccc31)C2 ZINC001098486754 1020959211 /nfs/dbraw/zinc/95/92/11/1020959211.db2.gz UJCLCQHJJVNBTI-LBKNJMOBSA-N 1 2 360.885 2.949 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)OCCc3ccccc31)C2 ZINC001098486754 1020959215 /nfs/dbraw/zinc/95/92/15/1020959215.db2.gz UJCLCQHJJVNBTI-LBKNJMOBSA-N 1 2 360.885 2.949 20 30 FFEDLO N#CCn1c(C[NH+]2CCC(OC3CCCC3)CC2)nc2ccccc2c1=O ZINC000749442382 1020984450 /nfs/dbraw/zinc/98/44/50/1020984450.db2.gz ZSKDWQXVMWLXLF-UHFFFAOYSA-N 1 2 366.465 2.844 20 30 FFEDLO CCn1c[nH+]c2c1CCN([C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C2 ZINC000933258996 1020985712 /nfs/dbraw/zinc/98/57/12/1020985712.db2.gz KLMLAYWBVWJEPR-HNNXBMFYSA-N 1 2 369.444 2.736 20 30 FFEDLO CCOC(=O)c1sc(SC)c(C#N)c1O[C@H]1CC[NH2+]CC1(F)F ZINC001218006349 1032947825 /nfs/dbraw/zinc/94/78/25/1032947825.db2.gz QRTAPRKTBYSNLS-VIFPVBQESA-N 1 2 362.423 2.894 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2cccc(=O)[nH]2)cc1 ZINC000933398828 1021005916 /nfs/dbraw/zinc/00/59/16/1021005916.db2.gz QTMZDQQIBRFXCJ-MRXNPFEDSA-N 1 2 352.438 2.863 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc2cccc(=O)[nH]2)cc1 ZINC000933398828 1021005925 /nfs/dbraw/zinc/00/59/25/1021005925.db2.gz QTMZDQQIBRFXCJ-MRXNPFEDSA-N 1 2 352.438 2.863 20 30 FFEDLO CC(C)(C)OC(=O)N1CC(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)C1 ZINC000933627443 1021053752 /nfs/dbraw/zinc/05/37/52/1021053752.db2.gz GGNLAPRMDQGABH-GOSISDBHSA-N 1 2 357.454 2.798 20 30 FFEDLO CC(C)(C)OC(=O)N1CC(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)C1 ZINC000933627443 1021053758 /nfs/dbraw/zinc/05/37/58/1021053758.db2.gz GGNLAPRMDQGABH-GOSISDBHSA-N 1 2 357.454 2.798 20 30 FFEDLO C=CCn1cc2ccc(NC(=O)N3C[C@H]([NH+]4CCOCC4)C[C@@H]3C)cc2n1 ZINC000933669162 1021065108 /nfs/dbraw/zinc/06/51/08/1021065108.db2.gz CIVCDKWUJAJOEM-MAUKXSAKSA-N 1 2 369.469 2.549 20 30 FFEDLO C=CCn1cc2ccc(NC(=O)N3C[C@@H]([NH+]4CCOCC4)C[C@@H]3C)cc2n1 ZINC000933669166 1021065191 /nfs/dbraw/zinc/06/51/91/1021065191.db2.gz CIVCDKWUJAJOEM-YJBOKZPZSA-N 1 2 369.469 2.549 20 30 FFEDLO Cc1ccc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)c(N(C)C)[nH+]1 ZINC001116625195 1021316041 /nfs/dbraw/zinc/31/60/41/1021316041.db2.gz WLFQOCURCNUTPS-UHFFFAOYSA-N 1 2 351.410 2.623 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nc3c(s2)CCC3)C1 ZINC001098943440 1021453076 /nfs/dbraw/zinc/45/30/76/1021453076.db2.gz KTUUPZUWERMOKD-SJCJKPOMSA-N 1 2 351.903 2.969 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nc3c(s2)CCC3)C1 ZINC001098943440 1021453080 /nfs/dbraw/zinc/45/30/80/1021453080.db2.gz KTUUPZUWERMOKD-SJCJKPOMSA-N 1 2 351.903 2.969 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(F)c[nH]2)C1 ZINC001098950921 1021466000 /nfs/dbraw/zinc/46/60/00/1021466000.db2.gz RNKGPBZETGSVBZ-NHYWBVRUSA-N 1 2 356.239 2.647 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(F)c[nH]2)C1 ZINC001098950921 1021466005 /nfs/dbraw/zinc/46/60/05/1021466005.db2.gz RNKGPBZETGSVBZ-NHYWBVRUSA-N 1 2 356.239 2.647 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@@H](C)c2nnc(C)[nH]2)C3)CC1 ZINC001099013245 1021592764 /nfs/dbraw/zinc/59/27/64/1021592764.db2.gz YZFIPZAESMPIEQ-VHFSOBRXSA-N 1 2 357.502 2.891 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@@H](C)c2nnc(C)[nH]2)C3)CC1 ZINC001099013245 1021592770 /nfs/dbraw/zinc/59/27/70/1021592770.db2.gz YZFIPZAESMPIEQ-VHFSOBRXSA-N 1 2 357.502 2.891 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001099288768 1022227673 /nfs/dbraw/zinc/22/76/73/1022227673.db2.gz AAWVLWBMUPFVJD-ZIAGYGMSSA-N 1 2 358.408 2.501 20 30 FFEDLO COCCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001111214622 1022439072 /nfs/dbraw/zinc/43/90/72/1022439072.db2.gz YCUMNVJBGISBFI-QRVBRYPASA-N 1 2 355.482 2.842 20 30 FFEDLO COCCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001111214622 1022439074 /nfs/dbraw/zinc/43/90/74/1022439074.db2.gz YCUMNVJBGISBFI-QRVBRYPASA-N 1 2 355.482 2.842 20 30 FFEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)c3cccc(OC)c3)CC2)cc1 ZINC000159214501 1022633829 /nfs/dbraw/zinc/63/38/29/1022633829.db2.gz GHMPHMFLHAYRGT-UHFFFAOYSA-N 1 2 364.445 2.665 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C(C)C)n1 ZINC001038808823 1022717535 /nfs/dbraw/zinc/71/75/35/1022717535.db2.gz UJXVHZKLRRUXOI-BJLQDIEVSA-N 1 2 357.498 2.877 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C(C)C)n1 ZINC001038808823 1022717546 /nfs/dbraw/zinc/71/75/46/1022717546.db2.gz UJXVHZKLRRUXOI-BJLQDIEVSA-N 1 2 357.498 2.877 20 30 FFEDLO C[C@H]1[C@@H](Nc2ncc(C#N)cc2Cl)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001040278806 1022819053 /nfs/dbraw/zinc/81/90/53/1022819053.db2.gz MMLXCJRPQDEDNP-ZGFBFQLVSA-N 1 2 370.844 2.535 20 30 FFEDLO C[C@H]1[C@@H](Nc2ncc(C#N)cc2Cl)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001040278806 1022819073 /nfs/dbraw/zinc/81/90/73/1022819073.db2.gz MMLXCJRPQDEDNP-ZGFBFQLVSA-N 1 2 370.844 2.535 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(F)c[nH]2)C3)c1 ZINC001095778287 1022830061 /nfs/dbraw/zinc/83/00/61/1022830061.db2.gz SKQJWVWGWYJRJF-HFTRVMKXSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(F)c[nH]2)C3)c1 ZINC001095778287 1022830081 /nfs/dbraw/zinc/83/00/81/1022830081.db2.gz SKQJWVWGWYJRJF-HFTRVMKXSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1ccsc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001119830859 1023119927 /nfs/dbraw/zinc/11/99/27/1023119927.db2.gz PQTONWMOMBIAFS-INIZCTEOSA-N 1 2 356.451 2.642 20 30 FFEDLO N#Cc1ccsc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001119830859 1023119936 /nfs/dbraw/zinc/11/99/36/1023119936.db2.gz PQTONWMOMBIAFS-INIZCTEOSA-N 1 2 356.451 2.642 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@H]1C[C@@H](OC)C12CCC2 ZINC001122490335 1023302413 /nfs/dbraw/zinc/30/24/13/1023302413.db2.gz KBAYTIHWEGRLEE-JKSUJKDBSA-N 1 2 370.501 2.572 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001122538714 1023327404 /nfs/dbraw/zinc/32/74/04/1023327404.db2.gz CHXNVMYTQBWYLV-FJIDUMEYSA-N 1 2 359.518 2.872 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001122538714 1023327410 /nfs/dbraw/zinc/32/74/10/1023327410.db2.gz CHXNVMYTQBWYLV-FJIDUMEYSA-N 1 2 359.518 2.872 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[C@H]2C#N)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001122609141 1023366974 /nfs/dbraw/zinc/36/69/74/1023366974.db2.gz HOCTWZSBGITLDH-HOTGVXAUSA-N 1 2 363.469 2.505 20 30 FFEDLO NC(=[NH+]O[C@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc2c(c1)CCO2 ZINC000753830550 1023386455 /nfs/dbraw/zinc/38/64/55/1023386455.db2.gz SSHUJLVLAYDFFT-SFHVURJKSA-N 1 2 369.396 2.593 20 30 FFEDLO NC(=[NH+]O[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc2c(c1)CCO2 ZINC000753830536 1023386656 /nfs/dbraw/zinc/38/66/56/1023386656.db2.gz SSFFWNBXYDKUAJ-KRWDZBQOSA-N 1 2 371.824 2.717 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000949254061 1023490558 /nfs/dbraw/zinc/49/05/58/1023490558.db2.gz CNRJELDJCXRZLM-RTBURBONSA-N 1 2 355.482 2.915 20 30 FFEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3CC)CC2)C1 ZINC000949454039 1023539548 /nfs/dbraw/zinc/53/95/48/1023539548.db2.gz AMPQTVRVIKOKOV-LEWJYISDSA-N 1 2 366.505 2.679 20 30 FFEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3CC)CC2)C1 ZINC000949454039 1023539558 /nfs/dbraw/zinc/53/95/58/1023539558.db2.gz AMPQTVRVIKOKOV-LEWJYISDSA-N 1 2 366.505 2.679 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2C[C@H]2CCOC2)C1 ZINC001123050901 1023612163 /nfs/dbraw/zinc/61/21/63/1023612163.db2.gz RGBCCVUMSHXMON-QRVBRYPASA-N 1 2 371.529 2.711 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2C[C@H]2CCOC2)C1 ZINC001123050901 1023612168 /nfs/dbraw/zinc/61/21/68/1023612168.db2.gz RGBCCVUMSHXMON-QRVBRYPASA-N 1 2 371.529 2.711 20 30 FFEDLO COCCN(c1nnc(C2CC[NH+](CCC#N)CC2)n1C)[C@H]1CC[C@H](C)C1 ZINC001121416014 1023761568 /nfs/dbraw/zinc/76/15/68/1023761568.db2.gz YBSORCCGOQJZLJ-WMZOPIPTSA-N 1 2 374.533 2.550 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](Cc2ccc(OC)cc2)C1 ZINC000950346555 1023798771 /nfs/dbraw/zinc/79/87/71/1023798771.db2.gz KFIPNGSNYFQDEU-UXHICEINSA-N 1 2 358.482 2.709 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](CCc2ccccc2F)C1 ZINC000950353276 1023801335 /nfs/dbraw/zinc/80/13/35/1023801335.db2.gz NZCGENNSGKRDKP-QUCCMNQESA-N 1 2 360.473 2.882 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1C ZINC001121525426 1023827694 /nfs/dbraw/zinc/82/76/94/1023827694.db2.gz LRLUMIFWWBUNFV-INIZCTEOSA-N 1 2 361.515 2.851 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1C ZINC001121525426 1023827702 /nfs/dbraw/zinc/82/77/02/1023827702.db2.gz LRLUMIFWWBUNFV-INIZCTEOSA-N 1 2 361.515 2.851 20 30 FFEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCCCCC)C2 ZINC001111315667 1023859028 /nfs/dbraw/zinc/85/90/28/1023859028.db2.gz HCCQAEFAHGTRDG-QRVBRYPASA-N 1 2 361.530 2.598 20 30 FFEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCCCCC)C2 ZINC001111315667 1023859039 /nfs/dbraw/zinc/85/90/39/1023859039.db2.gz HCCQAEFAHGTRDG-QRVBRYPASA-N 1 2 361.530 2.598 20 30 FFEDLO C=CCn1c(-c2cscn2)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001121720705 1023944857 /nfs/dbraw/zinc/94/48/57/1023944857.db2.gz YFWSLGPZLMUISI-UHFFFAOYSA-N 1 2 367.482 2.611 20 30 FFEDLO Cc1ccn(C[NH+]2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)c(=O)c1C#N ZINC000758221176 1023976731 /nfs/dbraw/zinc/97/67/31/1023976731.db2.gz WEIJIAPIFYMJMC-HNNXBMFYSA-N 1 2 374.485 2.611 20 30 FFEDLO CCN(C)C(=O)CO[NH+]=C(N)c1ccc(COc2ccccc2F)cc1 ZINC000758764178 1024291043 /nfs/dbraw/zinc/29/10/43/1024291043.db2.gz XNHXYBVUDIWCIW-UHFFFAOYSA-N 1 2 359.401 2.520 20 30 FFEDLO N#Cc1ccc([C@H](O)C[NH+]2CC(OCCCOc3ccccc3)C2)cc1 ZINC000759066509 1024449603 /nfs/dbraw/zinc/44/96/03/1024449603.db2.gz HNVMUSLZAUTZJT-OAQYLSRUSA-N 1 2 352.434 2.762 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001101347916 1024514387 /nfs/dbraw/zinc/51/43/87/1024514387.db2.gz PCQZJTCJEIZUPW-KDOFPFPSSA-N 1 2 350.894 2.710 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001101347916 1024514393 /nfs/dbraw/zinc/51/43/93/1024514393.db2.gz PCQZJTCJEIZUPW-KDOFPFPSSA-N 1 2 350.894 2.710 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C5CC5)o4)C[C@@]3(C)C2)CC1 ZINC001101354310 1024531472 /nfs/dbraw/zinc/53/14/72/1024531472.db2.gz ZYIYXOTXWSHUFI-UZLBHIALSA-N 1 2 370.497 2.974 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C5CC5)o4)C[C@@]3(C)C2)CC1 ZINC001101354310 1024531479 /nfs/dbraw/zinc/53/14/79/1024531479.db2.gz ZYIYXOTXWSHUFI-UZLBHIALSA-N 1 2 370.497 2.974 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C)[nH]4)C[C@@]3(C)C2)CCCC1 ZINC001101495026 1024881689 /nfs/dbraw/zinc/88/16/89/1024881689.db2.gz QKICWLHHJMEUSB-APWZRJJASA-N 1 2 357.502 2.530 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C)[nH]4)C[C@@]3(C)C2)CCCC1 ZINC001101495026 1024881695 /nfs/dbraw/zinc/88/16/95/1024881695.db2.gz QKICWLHHJMEUSB-APWZRJJASA-N 1 2 357.502 2.530 20 30 FFEDLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)Nc2cccc(CC#N)c2)CC1 ZINC000837071195 1025547836 /nfs/dbraw/zinc/54/78/36/1025547836.db2.gz BPYKGDKXCLWFOF-UHFFFAOYSA-N 1 2 372.469 2.680 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ncnn2CC(C)C)C[C@H]1C ZINC001102260820 1025657506 /nfs/dbraw/zinc/65/75/06/1025657506.db2.gz DWYWBKQCYSJDNH-RCCFBDPRSA-N 1 2 361.534 2.721 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ncnn2CC(C)C)C[C@H]1C ZINC001102260820 1025657511 /nfs/dbraw/zinc/65/75/11/1025657511.db2.gz DWYWBKQCYSJDNH-RCCFBDPRSA-N 1 2 361.534 2.721 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@@H+](Cc3nc(C(F)F)no3)C[C@H]2C)C1 ZINC001102347768 1025785837 /nfs/dbraw/zinc/78/58/37/1025785837.db2.gz ADSNEWPDAORGBM-VXGBXAGGSA-N 1 2 354.401 2.548 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@H+](Cc3nc(C(F)F)no3)C[C@H]2C)C1 ZINC001102347768 1025785851 /nfs/dbraw/zinc/78/58/51/1025785851.db2.gz ADSNEWPDAORGBM-VXGBXAGGSA-N 1 2 354.401 2.548 20 30 FFEDLO C#CC(C)(C)N(C)c1ccc([N+](=O)[O-])c(NC(=O)C[N@H+](C)C(C)(C)C#C)c1 ZINC000839581251 1026745994 /nfs/dbraw/zinc/74/59/94/1026745994.db2.gz PRMUCDJNHIICSL-UHFFFAOYSA-N 1 2 370.453 2.725 20 30 FFEDLO C#CC(C)(C)N(C)c1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+](C)C(C)(C)C#C)c1 ZINC000839581251 1026746004 /nfs/dbraw/zinc/74/60/04/1026746004.db2.gz PRMUCDJNHIICSL-UHFFFAOYSA-N 1 2 370.453 2.725 20 30 FFEDLO C#CCCCC(=O)NCC[C@@H]1C[N@@H+](Cc2nnc(C(F)F)s2)C[C@H]1C ZINC001102917239 1026780460 /nfs/dbraw/zinc/78/04/60/1026780460.db2.gz SRQCHZJXFIERBC-CHWSQXEVSA-N 1 2 370.469 2.853 20 30 FFEDLO C#CCCCC(=O)NCC[C@@H]1C[N@H+](Cc2nnc(C(F)F)s2)C[C@H]1C ZINC001102917239 1026780466 /nfs/dbraw/zinc/78/04/66/1026780466.db2.gz SRQCHZJXFIERBC-CHWSQXEVSA-N 1 2 370.469 2.853 20 30 FFEDLO CCCc1nc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)C#CC(C)(C)C)C2)no1 ZINC001102964219 1026838434 /nfs/dbraw/zinc/83/84/34/1026838434.db2.gz ABLYMFMXVKTSHR-HZPDHXFCSA-N 1 2 360.502 2.646 20 30 FFEDLO CCCc1nc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)C#CC(C)(C)C)C2)no1 ZINC001102964219 1026838438 /nfs/dbraw/zinc/83/84/38/1026838438.db2.gz ABLYMFMXVKTSHR-HZPDHXFCSA-N 1 2 360.502 2.646 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)n1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000640923624 1027033571 /nfs/dbraw/zinc/03/35/71/1027033571.db2.gz LYLOTERCFBWNQQ-HNNXBMFYSA-N 1 2 359.449 2.693 20 30 FFEDLO Cc1nc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cnc1C#N ZINC001158551179 1027059012 /nfs/dbraw/zinc/05/90/12/1027059012.db2.gz JLZSWHQEDBIQKE-INIZCTEOSA-N 1 2 361.371 2.910 20 30 FFEDLO Cc1nc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cnc1C#N ZINC001158551179 1027059017 /nfs/dbraw/zinc/05/90/17/1027059017.db2.gz JLZSWHQEDBIQKE-INIZCTEOSA-N 1 2 361.371 2.910 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)C1 ZINC001158915246 1027188504 /nfs/dbraw/zinc/18/85/04/1027188504.db2.gz PWVDOIIETILJIF-HZPDHXFCSA-N 1 2 359.474 2.594 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCCN(c2cc(N3CCC[C@@H](C)C3)nc[nH+]2)C1 ZINC001158915246 1027188515 /nfs/dbraw/zinc/18/85/15/1027188515.db2.gz PWVDOIIETILJIF-HZPDHXFCSA-N 1 2 359.474 2.594 20 30 FFEDLO C#CCOc1ccccc1C[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000092614543 1027381556 /nfs/dbraw/zinc/38/15/56/1027381556.db2.gz OPMYUDBVCMRVDZ-UHFFFAOYSA-N 1 2 360.408 2.608 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC1=CC[N@H+](Cc2coc(C3CC3)n2)CC1 ZINC001161258221 1028100601 /nfs/dbraw/zinc/10/06/01/1028100601.db2.gz IZUKBTAVDKXJKP-MOPGFXCFSA-N 1 2 371.481 2.782 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC1=CC[N@@H+](Cc2coc(C3CC3)n2)CC1 ZINC001161258221 1028100607 /nfs/dbraw/zinc/10/06/07/1028100607.db2.gz IZUKBTAVDKXJKP-MOPGFXCFSA-N 1 2 371.481 2.782 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC1=CC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC001161278214 1028110922 /nfs/dbraw/zinc/11/09/22/1028110922.db2.gz KZLLFHCHQUMMHJ-MSOLQXFVSA-N 1 2 359.470 2.521 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC1=CC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC001161278214 1028110923 /nfs/dbraw/zinc/11/09/23/1028110923.db2.gz KZLLFHCHQUMMHJ-MSOLQXFVSA-N 1 2 359.470 2.521 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001161444611 1028176972 /nfs/dbraw/zinc/17/69/72/1028176972.db2.gz ICDUTLIHHKTAJV-WMZOPIPTSA-N 1 2 361.511 2.763 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001161444611 1028176982 /nfs/dbraw/zinc/17/69/82/1028176982.db2.gz ICDUTLIHHKTAJV-WMZOPIPTSA-N 1 2 361.511 2.763 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001103780731 1028197398 /nfs/dbraw/zinc/19/73/98/1028197398.db2.gz UTESOKKJTWAELH-KURKYZTESA-N 1 2 370.497 2.729 20 30 FFEDLO CCCN1C(=O)CC[C@@H](C(=O)OCCCC(C)(C)C#N)[C@@H]1c1c[nH+]cn1C ZINC000796086079 1028453368 /nfs/dbraw/zinc/45/33/68/1028453368.db2.gz YGRLRQTWZNJTNL-CRAIPNDOSA-N 1 2 374.485 2.983 20 30 FFEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCCC(=O)N(C)C2CC2)[nH+]1 ZINC001162625293 1028602331 /nfs/dbraw/zinc/60/23/31/1028602331.db2.gz ZGUBHSJEXZDDOO-QSOCIONNSA-N 1 2 364.515 2.694 20 30 FFEDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000796161478 1028627591 /nfs/dbraw/zinc/62/75/91/1028627591.db2.gz SPOUQAPMTNQRJP-INIZCTEOSA-N 1 2 369.425 2.709 20 30 FFEDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000796161478 1028627601 /nfs/dbraw/zinc/62/76/01/1028627601.db2.gz SPOUQAPMTNQRJP-INIZCTEOSA-N 1 2 369.425 2.709 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001155326237 1028676978 /nfs/dbraw/zinc/67/69/78/1028676978.db2.gz VROKEJHHFJANQF-ZMYBRWDISA-N 1 2 359.445 2.615 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001155326237 1028676980 /nfs/dbraw/zinc/67/69/80/1028676980.db2.gz VROKEJHHFJANQF-ZMYBRWDISA-N 1 2 359.445 2.615 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CCC2)CCCC1 ZINC001111517441 1028720022 /nfs/dbraw/zinc/72/00/22/1028720022.db2.gz BLYHFSFHCCPHNQ-QRVBRYPASA-N 1 2 373.541 2.761 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CCC2)CCCC1 ZINC001111517441 1028720034 /nfs/dbraw/zinc/72/00/34/1028720034.db2.gz BLYHFSFHCCPHNQ-QRVBRYPASA-N 1 2 373.541 2.761 20 30 FFEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000780928053 1028876700 /nfs/dbraw/zinc/87/67/00/1028876700.db2.gz FNFLSSCNXDJCKG-MGPUTAFESA-N 1 2 367.424 2.636 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1csc(C)n1 ZINC001155771088 1028904531 /nfs/dbraw/zinc/90/45/31/1028904531.db2.gz ODXYSSCLHMWNBT-COXVUDFISA-N 1 2 351.516 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1csc(C)n1 ZINC001155771088 1028904539 /nfs/dbraw/zinc/90/45/39/1028904539.db2.gz ODXYSSCLHMWNBT-COXVUDFISA-N 1 2 351.516 2.759 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C3CC3)o1)C2 ZINC001111711434 1029210935 /nfs/dbraw/zinc/21/09/35/1029210935.db2.gz SYSFTPALMZXQDT-JXFKEZNVSA-N 1 2 356.470 2.611 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C3CC3)o1)C2 ZINC001111711434 1029210951 /nfs/dbraw/zinc/21/09/51/1029210951.db2.gz SYSFTPALMZXQDT-JXFKEZNVSA-N 1 2 356.470 2.611 20 30 FFEDLO CC(C)Cc1nnc([C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)o1 ZINC001111741902 1029308304 /nfs/dbraw/zinc/30/83/04/1029308304.db2.gz VJXNYBGWQZHGHU-KUDFPVQQSA-N 1 2 370.497 2.713 20 30 FFEDLO CC(C)Cc1nnc([C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)o1 ZINC001111741902 1029308314 /nfs/dbraw/zinc/30/83/14/1029308314.db2.gz VJXNYBGWQZHGHU-KUDFPVQQSA-N 1 2 370.497 2.713 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(F)C(F)(F)F)C1 ZINC001111756061 1029349345 /nfs/dbraw/zinc/34/93/45/1029349345.db2.gz CDPSUIUJGRIIEK-ZOBUZTSGSA-N 1 2 369.362 2.929 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(F)C(F)(F)F)C1 ZINC001111756061 1029349363 /nfs/dbraw/zinc/34/93/63/1029349363.db2.gz CDPSUIUJGRIIEK-ZOBUZTSGSA-N 1 2 369.362 2.929 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc3n1CCCC3)C2 ZINC001111761662 1029372707 /nfs/dbraw/zinc/37/27/07/1029372707.db2.gz GBPYVUMYLHOYPU-KKSFZXQISA-N 1 2 371.529 2.687 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc3n1CCCC3)C2 ZINC001111761662 1029372718 /nfs/dbraw/zinc/37/27/18/1029372718.db2.gz GBPYVUMYLHOYPU-KKSFZXQISA-N 1 2 371.529 2.687 20 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ZINC000783831303 1030296984 /nfs/dbraw/zinc/29/69/84/1030296984.db2.gz UQUSRLGQZQLEBS-FQEVSTJZSA-N 1 2 350.418 2.811 20 30 FFEDLO Cc1cc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1C#N ZINC000783831303 1030297003 /nfs/dbraw/zinc/29/70/03/1030297003.db2.gz UQUSRLGQZQLEBS-FQEVSTJZSA-N 1 2 350.418 2.811 20 30 FFEDLO COc1c(F)cc(F)cc1C[N@@H+]1CCC[C@]12CCN(CCCC#N)C2=O ZINC001276409030 1030674461 /nfs/dbraw/zinc/67/44/61/1030674461.db2.gz UXQNEYXRTMFNKX-LJQANCHMSA-N 1 2 363.408 2.844 20 30 FFEDLO COc1c(F)cc(F)cc1C[N@H+]1CCC[C@]12CCN(CCCC#N)C2=O ZINC001276409030 1030674473 /nfs/dbraw/zinc/67/44/73/1030674473.db2.gz UXQNEYXRTMFNKX-LJQANCHMSA-N 1 2 363.408 2.844 20 30 FFEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(I)c(O)c(OC)c2)C1 ZINC001204111183 1031106650 /nfs/dbraw/zinc/10/66/50/1031106650.db2.gz SEMOMIGLQCOSPF-NSHDSACASA-N 1 2 371.218 2.851 20 30 FFEDLO C#C[C@H]1CCC[N@H+](Cc2cc(I)c(O)c(OC)c2)C1 ZINC001204111183 1031106653 /nfs/dbraw/zinc/10/66/53/1031106653.db2.gz SEMOMIGLQCOSPF-NSHDSACASA-N 1 2 371.218 2.851 20 30 FFEDLO COc1cc(Br)cc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)c1O ZINC001204337100 1031235636 /nfs/dbraw/zinc/23/56/36/1031235636.db2.gz CGQGNAHJQKIVFI-ZDUSSCGKSA-N 1 2 370.268 2.937 20 30 FFEDLO COc1cc(Br)cc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c1O ZINC001204337100 1031235637 /nfs/dbraw/zinc/23/56/37/1031235637.db2.gz CGQGNAHJQKIVFI-ZDUSSCGKSA-N 1 2 370.268 2.937 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cnc(C)cc2C(F)(F)F)C1=O ZINC001276476075 1031414631 /nfs/dbraw/zinc/41/46/31/1031414631.db2.gz KBYBDVXBCDGHFM-KRWDZBQOSA-N 1 2 351.372 2.609 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cnc(C)cc2C(F)(F)F)C1=O ZINC001276476075 1031414638 /nfs/dbraw/zinc/41/46/38/1031414638.db2.gz KBYBDVXBCDGHFM-KRWDZBQOSA-N 1 2 351.372 2.609 20 30 FFEDLO CCC[C@@H](CC)C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218851707 1033376769 /nfs/dbraw/zinc/37/67/69/1033376769.db2.gz HNRYEJQHGYSJNJ-FHLIZLRMSA-N 1 2 361.511 2.858 20 30 FFEDLO CCC[C@@H](CC)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218851707 1033376782 /nfs/dbraw/zinc/37/67/82/1033376782.db2.gz HNRYEJQHGYSJNJ-FHLIZLRMSA-N 1 2 361.511 2.858 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001223309753 1033385076 /nfs/dbraw/zinc/38/50/76/1033385076.db2.gz MQAPRFPUAOVNPB-WBVHZDCISA-N 1 2 356.470 2.563 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001223309753 1033385084 /nfs/dbraw/zinc/38/50/84/1033385084.db2.gz MQAPRFPUAOVNPB-WBVHZDCISA-N 1 2 356.470 2.563 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3cn(C(C)(C)C)nn3)[C@H]2C1 ZINC001223314598 1033387759 /nfs/dbraw/zinc/38/77/59/1033387759.db2.gz DVNQCAKYOBDGCE-MJGOQNOKSA-N 1 2 371.529 2.650 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(C(C)(C)C)nn3)[C@H]2C1 ZINC001223314598 1033387770 /nfs/dbraw/zinc/38/77/70/1033387770.db2.gz DVNQCAKYOBDGCE-MJGOQNOKSA-N 1 2 371.529 2.650 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C(C)C)n3C)[C@H]2C1 ZINC001223393053 1033422534 /nfs/dbraw/zinc/42/25/34/1033422534.db2.gz JKQPAPNUHLDXLV-SJORKVTESA-N 1 2 359.518 2.718 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C(C)C)n3C)[C@H]2C1 ZINC001223393053 1033422539 /nfs/dbraw/zinc/42/25/39/1033422539.db2.gz JKQPAPNUHLDXLV-SJORKVTESA-N 1 2 359.518 2.718 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]3CC[N@@H+](Cc4cnn(C)n4)[C@H]3C2)CCCCC1 ZINC001223674409 1033545769 /nfs/dbraw/zinc/54/57/69/1033545769.db2.gz HCLIOOOEXHKYBG-MJGOQNOKSA-N 1 2 371.529 2.765 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]3CC[N@H+](Cc4cnn(C)n4)[C@H]3C2)CCCCC1 ZINC001223674409 1033545778 /nfs/dbraw/zinc/54/57/78/1033545778.db2.gz HCLIOOOEXHKYBG-MJGOQNOKSA-N 1 2 371.529 2.765 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nc(Cl)ccc1C(F)(F)F ZINC001276922610 1033599675 /nfs/dbraw/zinc/59/96/75/1033599675.db2.gz JEDUUGHQCWFWJG-ZIAGYGMSSA-N 1 2 371.790 2.952 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nc(Cl)ccc1C(F)(F)F ZINC001276922610 1033599677 /nfs/dbraw/zinc/59/96/77/1033599677.db2.gz JEDUUGHQCWFWJG-ZIAGYGMSSA-N 1 2 371.790 2.952 20 30 FFEDLO O=C(Nc1cc(C(F)(F)F)ccc1C(=O)C(F)(F)F)C1(F)C[NH2+]C1 ZINC001219491818 1033668802 /nfs/dbraw/zinc/66/88/02/1033668802.db2.gz YEPARWLDTXYQGS-UHFFFAOYSA-N 1 2 358.213 2.700 20 30 FFEDLO C[C@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC2(CCC2)O1 ZINC000830728403 1033766861 /nfs/dbraw/zinc/76/68/61/1033766861.db2.gz GYFCCXFGXLPVAU-GOEBONIOSA-N 1 2 362.433 2.867 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC2(CCC2)O1 ZINC000830728403 1033766878 /nfs/dbraw/zinc/76/68/78/1033766878.db2.gz GYFCCXFGXLPVAU-GOEBONIOSA-N 1 2 362.433 2.867 20 30 FFEDLO CCC[C@H](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001219700371 1033767005 /nfs/dbraw/zinc/76/70/05/1033767005.db2.gz OXZZZFNPAWMIQX-DBVUQKKJSA-N 1 2 357.498 2.826 20 30 FFEDLO CCC[C@H](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001219700371 1033767017 /nfs/dbraw/zinc/76/70/17/1033767017.db2.gz OXZZZFNPAWMIQX-DBVUQKKJSA-N 1 2 357.498 2.826 20 30 FFEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(C)o4)[C@H]3C2)CCCCC1 ZINC001224263504 1033809086 /nfs/dbraw/zinc/80/90/86/1033809086.db2.gz DEEOJEIIEWJHBL-MSOLQXFVSA-N 1 2 370.497 2.775 20 30 FFEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc(C)o4)[C@H]3C2)CCCCC1 ZINC001224263504 1033809100 /nfs/dbraw/zinc/80/91/00/1033809100.db2.gz DEEOJEIIEWJHBL-MSOLQXFVSA-N 1 2 370.497 2.775 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nccn4C)[C@H]3C2)CCCC1 ZINC001224343689 1033853500 /nfs/dbraw/zinc/85/35/00/1033853500.db2.gz GYKATEBDNDGJLL-MSOLQXFVSA-N 1 2 356.514 2.979 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nccn4C)[C@H]3C2)CCCC1 ZINC001224343689 1033853510 /nfs/dbraw/zinc/85/35/10/1033853510.db2.gz GYKATEBDNDGJLL-MSOLQXFVSA-N 1 2 356.514 2.979 20 30 FFEDLO CCCC[C@H](CC)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220032267 1033948724 /nfs/dbraw/zinc/94/87/24/1033948724.db2.gz MYENINYMCAVBKX-TYPHKJRUSA-N 1 2 356.510 2.806 20 30 FFEDLO CCCC[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220032267 1033948735 /nfs/dbraw/zinc/94/87/35/1033948735.db2.gz MYENINYMCAVBKX-TYPHKJRUSA-N 1 2 356.510 2.806 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc3ccccc3o2)C[C@@H]1O ZINC001220146471 1034005100 /nfs/dbraw/zinc/00/51/00/1034005100.db2.gz HMZMOTZXFPKJSR-NXHRZFHOSA-N 1 2 369.465 2.634 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc3ccccc3o2)C[C@@H]1O ZINC001220146471 1034005120 /nfs/dbraw/zinc/00/51/20/1034005120.db2.gz HMZMOTZXFPKJSR-NXHRZFHOSA-N 1 2 369.465 2.634 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001220203306 1034043908 /nfs/dbraw/zinc/04/39/08/1034043908.db2.gz CMAZHCSIPRXSJS-XYPHTWIQSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001220203306 1034043923 /nfs/dbraw/zinc/04/39/23/1034043923.db2.gz CMAZHCSIPRXSJS-XYPHTWIQSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)C[C@@H]1O ZINC001220205952 1034047709 /nfs/dbraw/zinc/04/77/09/1034047709.db2.gz RTGZMJSGIOPPNK-OLMNPRSZSA-N 1 2 350.890 2.912 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)C[C@@H]1O ZINC001220205952 1034047712 /nfs/dbraw/zinc/04/77/12/1034047712.db2.gz RTGZMJSGIOPPNK-OLMNPRSZSA-N 1 2 350.890 2.912 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ccc(F)c(F)c3)C[C@@H]2O)CCC1 ZINC001220280532 1034095506 /nfs/dbraw/zinc/09/55/06/1034095506.db2.gz NGUSLENZYZTDLE-VHSSKADRSA-N 1 2 364.436 2.934 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ccc(F)c(F)c3)C[C@@H]2O)CCC1 ZINC001220280532 1034095519 /nfs/dbraw/zinc/09/55/19/1034095519.db2.gz NGUSLENZYZTDLE-VHSSKADRSA-N 1 2 364.436 2.934 20 30 FFEDLO CC(C)CCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001220485015 1034210692 /nfs/dbraw/zinc/21/06/92/1034210692.db2.gz DWHIXKBHXBJNMY-MSOLQXFVSA-N 1 2 363.527 2.888 20 30 FFEDLO CC(C)CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001220485015 1034210705 /nfs/dbraw/zinc/21/07/05/1034210705.db2.gz DWHIXKBHXBJNMY-MSOLQXFVSA-N 1 2 363.527 2.888 20 30 FFEDLO Cc1ccccc1-c1nc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C)C#N)no1 ZINC001225426701 1034248626 /nfs/dbraw/zinc/24/86/26/1034248626.db2.gz MXQZAOSQOQLHGT-DJIMGWMZSA-N 1 2 367.453 2.722 20 30 FFEDLO CCC[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001220615707 1034290211 /nfs/dbraw/zinc/29/02/11/1034290211.db2.gz MZDLFTXUMKJFFW-HBFSDRIKSA-N 1 2 361.461 2.575 20 30 FFEDLO CCC[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001220615707 1034290222 /nfs/dbraw/zinc/29/02/22/1034290222.db2.gz MZDLFTXUMKJFFW-HBFSDRIKSA-N 1 2 361.461 2.575 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(CCC)n1 ZINC001225560607 1034308006 /nfs/dbraw/zinc/30/80/06/1034308006.db2.gz SMKMTBFCSCBBLZ-HZPDHXFCSA-N 1 2 364.490 2.522 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@@H]1O ZINC001220841118 1034423383 /nfs/dbraw/zinc/42/33/83/1034423383.db2.gz IXTQXRXQJDZJMG-MOPGFXCFSA-N 1 2 362.518 2.587 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@@H]1O ZINC001220841118 1034423387 /nfs/dbraw/zinc/42/33/87/1034423387.db2.gz IXTQXRXQJDZJMG-MOPGFXCFSA-N 1 2 362.518 2.587 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)oc(=O)cc4C(F)(F)F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226003761 1034486840 /nfs/dbraw/zinc/48/68/40/1034486840.db2.gz UOSWIXVXOOZWSJ-PKBIGMILSA-N 1 2 367.323 2.803 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)oc(=O)cc4C(F)(F)F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226003761 1034486847 /nfs/dbraw/zinc/48/68/47/1034486847.db2.gz UOSWIXVXOOZWSJ-PKBIGMILSA-N 1 2 367.323 2.803 20 30 FFEDLO CCO[C@H](CC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221373748 1034695842 /nfs/dbraw/zinc/69/58/42/1034695842.db2.gz XNPXCAQGDRFLRS-BHIYHBOVSA-N 1 2 359.445 2.545 20 30 FFEDLO CCO[C@H](CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221373748 1034695847 /nfs/dbraw/zinc/69/58/47/1034695847.db2.gz XNPXCAQGDRFLRS-BHIYHBOVSA-N 1 2 359.445 2.545 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(Cl)n3)C[C@H]21 ZINC001221421834 1034735149 /nfs/dbraw/zinc/73/51/49/1034735149.db2.gz JIJVYXGBKXBBLT-BFYDXBDKSA-N 1 2 363.889 2.749 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(Cl)n3)C[C@H]21 ZINC001221421834 1034735164 /nfs/dbraw/zinc/73/51/64/1034735164.db2.gz JIJVYXGBKXBBLT-BFYDXBDKSA-N 1 2 363.889 2.749 20 30 FFEDLO CC(C)(C)OCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221493653 1034819009 /nfs/dbraw/zinc/81/90/09/1034819009.db2.gz BIOQAUPNRRPJEU-CRAIPNDOSA-N 1 2 359.445 2.545 20 30 FFEDLO CC(C)(C)OCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221493653 1034819019 /nfs/dbraw/zinc/81/90/19/1034819019.db2.gz BIOQAUPNRRPJEU-CRAIPNDOSA-N 1 2 359.445 2.545 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccc(C)cc3C)C[C@H]21 ZINC001221512993 1034830686 /nfs/dbraw/zinc/83/06/86/1034830686.db2.gz YDKAJLJAQCYSIH-UYAOXDASSA-N 1 2 367.493 2.578 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccc(C)cc3C)C[C@H]21 ZINC001221512993 1034830696 /nfs/dbraw/zinc/83/06/96/1034830696.db2.gz YDKAJLJAQCYSIH-UYAOXDASSA-N 1 2 367.493 2.578 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3cccc(CC)c3)C[C@H]21 ZINC001221512880 1034831417 /nfs/dbraw/zinc/83/14/17/1034831417.db2.gz SLKSGZUBQTZJQB-UYAOXDASSA-N 1 2 367.493 2.524 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3cccc(CC)c3)C[C@H]21 ZINC001221512880 1034831427 /nfs/dbraw/zinc/83/14/27/1034831427.db2.gz SLKSGZUBQTZJQB-UYAOXDASSA-N 1 2 367.493 2.524 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)c(OC)c(F)c3)C[C@H]21 ZINC001221513971 1034832146 /nfs/dbraw/zinc/83/21/46/1034832146.db2.gz BPLWGWIRXPSUDQ-CRAIPNDOSA-N 1 2 362.420 2.810 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)c(OC)c(F)c3)C[C@H]21 ZINC001221513971 1034832156 /nfs/dbraw/zinc/83/21/56/1034832156.db2.gz BPLWGWIRXPSUDQ-CRAIPNDOSA-N 1 2 362.420 2.810 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)COCC(F)F)[C@@H]2C1 ZINC001221712491 1035004311 /nfs/dbraw/zinc/00/43/11/1035004311.db2.gz CMBIUMDFHCYKHN-CHWSQXEVSA-N 1 2 350.837 2.580 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)COCC(F)F)[C@@H]2C1 ZINC001221712491 1035004320 /nfs/dbraw/zinc/00/43/20/1035004320.db2.gz CMBIUMDFHCYKHN-CHWSQXEVSA-N 1 2 350.837 2.580 20 30 FFEDLO COc1ccc2[nH]nc(C[N@@H+]3CCCN(c4ccc(C#N)cn4)CC3)c2c1 ZINC001140069097 1035332933 /nfs/dbraw/zinc/33/29/33/1035332933.db2.gz JDWWOJPGBJTELF-UHFFFAOYSA-N 1 2 362.437 2.550 20 30 FFEDLO COc1ccc2[nH]nc(C[N@H+]3CCCN(c4ccc(C#N)cn4)CC3)c2c1 ZINC001140069097 1035332936 /nfs/dbraw/zinc/33/29/36/1035332936.db2.gz JDWWOJPGBJTELF-UHFFFAOYSA-N 1 2 362.437 2.550 20 30 FFEDLO CO[C@H](C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)Cc1ccccc1 ZINC000834856087 1035464986 /nfs/dbraw/zinc/46/49/86/1035464986.db2.gz KQQWNUCKSMAOAA-BZSNNMDCSA-N 1 2 359.470 2.593 20 30 FFEDLO COCCN(C)c1ccc(C=[NH+]Nc2ccc(C(=O)OC)c(F)c2)cn1 ZINC000835017834 1035487941 /nfs/dbraw/zinc/48/79/41/1035487941.db2.gz BHAGNKNYMQEBOE-UHFFFAOYSA-N 1 2 360.389 2.536 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccnc(OCC)c1Cl ZINC001277213720 1035578564 /nfs/dbraw/zinc/57/85/64/1035578564.db2.gz OYAVZMOYEATSOC-IBGZPJMESA-N 1 2 361.873 2.724 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccnc(OCC)c1Cl ZINC001277213720 1035578569 /nfs/dbraw/zinc/57/85/69/1035578569.db2.gz OYAVZMOYEATSOC-IBGZPJMESA-N 1 2 361.873 2.724 20 30 FFEDLO Cn1cc(N2C[C@]3(CC[N@H+](Cc4ccc(Cl)cc4C#N)C3)CC2=O)cn1 ZINC001232608140 1035862425 /nfs/dbraw/zinc/86/24/25/1035862425.db2.gz VYOCTSJZNPHSAA-LJQANCHMSA-N 1 2 369.856 2.574 20 30 FFEDLO Cn1cc(N2C[C@]3(CC[N@@H+](Cc4ccc(Cl)cc4C#N)C3)CC2=O)cn1 ZINC001232608140 1035862442 /nfs/dbraw/zinc/86/24/42/1035862442.db2.gz VYOCTSJZNPHSAA-LJQANCHMSA-N 1 2 369.856 2.574 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccc(C(=O)OC)c(F)c1)CCC2 ZINC001232704230 1035954065 /nfs/dbraw/zinc/95/40/65/1035954065.db2.gz PJHXKYZZDPWZQU-UHFFFAOYSA-N 1 2 373.428 2.917 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccc(C(=O)OC)c(F)c1)CCC2 ZINC001232704230 1035954083 /nfs/dbraw/zinc/95/40/83/1035954083.db2.gz PJHXKYZZDPWZQU-UHFFFAOYSA-N 1 2 373.428 2.917 20 30 FFEDLO C#CC[NH+]1CCN(Cc2cccc(Br)c2Br)CC1 ZINC001232763818 1035996798 /nfs/dbraw/zinc/99/67/98/1035996798.db2.gz WBZXTMQQLICVEZ-UHFFFAOYSA-N 1 2 372.104 2.962 20 30 FFEDLO COc1cc(O)cc(OC)c1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC001140769553 1036094996 /nfs/dbraw/zinc/09/49/96/1036094996.db2.gz LXFNWPFTJCNHAE-UHFFFAOYSA-N 1 2 353.422 2.603 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)ccc1Br ZINC001232898096 1036138685 /nfs/dbraw/zinc/13/86/85/1036138685.db2.gz ZFNGTYDLXJKIKO-CQSZACIVSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1cc(C[N@H+]2CC[C@@H](Oc3ncccn3)C2)ccc1Br ZINC001232898096 1036138696 /nfs/dbraw/zinc/13/86/96/1036138696.db2.gz ZFNGTYDLXJKIKO-CQSZACIVSA-N 1 2 359.227 2.764 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cccc(Br)c2N)C1=O ZINC001277761435 1036344506 /nfs/dbraw/zinc/34/45/06/1036344506.db2.gz GHTSTWAFOUMSHU-QGZVFWFLSA-N 1 2 364.287 2.784 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cccc(Br)c2N)C1=O ZINC001277761435 1036344520 /nfs/dbraw/zinc/34/45/20/1036344520.db2.gz GHTSTWAFOUMSHU-QGZVFWFLSA-N 1 2 364.287 2.784 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cn3cccc(Cl)c3n1)CC2 ZINC001233422003 1036615201 /nfs/dbraw/zinc/61/52/01/1036615201.db2.gz QZTAQBKRGMRQQS-UHFFFAOYSA-N 1 2 371.872 2.982 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cn3cccc(Cl)c3n1)CC2 ZINC001233422003 1036615207 /nfs/dbraw/zinc/61/52/07/1036615207.db2.gz QZTAQBKRGMRQQS-UHFFFAOYSA-N 1 2 371.872 2.982 20 30 FFEDLO O=C1c2c(O)ccc(O[C@@H]3C[NH+]4CCC3CC4)c2C(=O)C(Cl)=C1Cl ZINC001229378239 1036640908 /nfs/dbraw/zinc/64/09/08/1036640908.db2.gz JJBNMKVBJOJOOV-LLVKDONJSA-N 1 2 368.216 2.933 20 30 FFEDLO C#CCn1ccc(CN(CCOC)C(=O)Nc2c(C)cc(C)[nH+]c2C)n1 ZINC000836632593 1036700269 /nfs/dbraw/zinc/70/02/69/1036700269.db2.gz OULULJVLVFNFOG-UHFFFAOYSA-N 1 2 355.442 2.517 20 30 FFEDLO N#Cc1cccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001229596897 1036770008 /nfs/dbraw/zinc/77/00/08/1036770008.db2.gz FDCWGVDCOWRJAL-QGZVFWFLSA-N 1 2 353.378 2.746 20 30 FFEDLO N#Cc1cccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001229596897 1036770029 /nfs/dbraw/zinc/77/00/29/1036770029.db2.gz FDCWGVDCOWRJAL-QGZVFWFLSA-N 1 2 353.378 2.746 20 30 FFEDLO N#CCCCN1C(=O)COCC12C[NH+](Cc1ccc3ccsc3c1)C2 ZINC001277817525 1036815256 /nfs/dbraw/zinc/81/52/56/1036815256.db2.gz QSJVJKHVIAWUNB-UHFFFAOYSA-N 1 2 355.463 2.618 20 30 FFEDLO Cc1cccc(C)c1NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001206951014 1036971406 /nfs/dbraw/zinc/97/14/06/1036971406.db2.gz SDACVCWBZXHCFP-QZTJIDSGSA-N 1 2 369.509 2.728 20 30 FFEDLO Cc1cccc(C)c1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001206951014 1036971423 /nfs/dbraw/zinc/97/14/23/1036971423.db2.gz SDACVCWBZXHCFP-QZTJIDSGSA-N 1 2 369.509 2.728 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC001206965249 1036992756 /nfs/dbraw/zinc/99/27/56/1036992756.db2.gz VAWIPVDDZIPFNI-IIYDPXPESA-N 1 2 369.292 2.968 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC001206965249 1036992771 /nfs/dbraw/zinc/99/27/71/1036992771.db2.gz VAWIPVDDZIPFNI-IIYDPXPESA-N 1 2 369.292 2.968 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC001206965250 1036993736 /nfs/dbraw/zinc/99/37/36/1036993736.db2.gz VAWIPVDDZIPFNI-PBFPGSCMSA-N 1 2 369.292 2.968 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC001206965250 1036993749 /nfs/dbraw/zinc/99/37/49/1036993749.db2.gz VAWIPVDDZIPFNI-PBFPGSCMSA-N 1 2 369.292 2.968 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)NCC(F)(F)F)CC2)c1 ZINC001277850551 1037007675 /nfs/dbraw/zinc/00/76/75/1037007675.db2.gz VCCGYMZPNSJPLN-CQSZACIVSA-N 1 2 367.371 2.544 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)c4ccsc4Cl)C3)C2)cc1C#N ZINC001277857356 1037041123 /nfs/dbraw/zinc/04/11/23/1037041123.db2.gz DGLDNJIHSBRMBH-UHFFFAOYSA-N 1 2 360.870 2.570 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCc2ncc(C)o2)C1 ZINC001207477955 1037474485 /nfs/dbraw/zinc/47/44/85/1037474485.db2.gz HCWVGRBMMMBWTB-BXUZGUMPSA-N 1 2 370.291 2.651 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCc2ncc(C)o2)C1 ZINC001207477955 1037474490 /nfs/dbraw/zinc/47/44/90/1037474490.db2.gz HCWVGRBMMMBWTB-BXUZGUMPSA-N 1 2 370.291 2.651 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc(OC(=O)c4ccccc4)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001231277815 1037521220 /nfs/dbraw/zinc/52/12/20/1037521220.db2.gz LTKRVAGILHJPLD-NCQGUEQISA-N 1 2 351.402 2.897 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(OC(=O)c4ccccc4)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001231277815 1037521236 /nfs/dbraw/zinc/52/12/36/1037521236.db2.gz LTKRVAGILHJPLD-NCQGUEQISA-N 1 2 351.402 2.897 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3c[nH]c4cnc(Cl)cc34)CC2)c1 ZINC001235519877 1037603780 /nfs/dbraw/zinc/60/37/80/1037603780.db2.gz IJELDXHONUISQJ-UHFFFAOYSA-N 1 2 352.829 2.805 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1C(=O)NC(=O)OC(C)(C)C ZINC001231621427 1037744651 /nfs/dbraw/zinc/74/46/51/1037744651.db2.gz YOJSVAVLPWJYMP-HNNXBMFYSA-N 1 2 359.426 2.583 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1C(=O)NC(=O)OC(C)(C)C ZINC001231621427 1037744657 /nfs/dbraw/zinc/74/46/57/1037744657.db2.gz YOJSVAVLPWJYMP-HNNXBMFYSA-N 1 2 359.426 2.583 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(C)c(Br)cn1 ZINC001277972768 1037777750 /nfs/dbraw/zinc/77/77/50/1037777750.db2.gz ADSKFMXITISAPM-HZPDHXFCSA-N 1 2 364.287 2.904 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C)c(Br)cn1 ZINC001277972768 1037777763 /nfs/dbraw/zinc/77/77/63/1037777763.db2.gz ADSKFMXITISAPM-HZPDHXFCSA-N 1 2 364.287 2.904 20 30 FFEDLO C#Cc1cccc(C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC001231659110 1037782494 /nfs/dbraw/zinc/78/24/94/1037782494.db2.gz GBVHKLRMRSAHAI-UHFFFAOYSA-N 1 2 352.385 2.860 20 30 FFEDLO N#Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)c2ccccc2F)CC1 ZINC001255536688 1037994943 /nfs/dbraw/zinc/99/49/43/1037994943.db2.gz AIHWIKIFGOINOZ-UHFFFAOYSA-N 1 2 373.453 2.640 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)cc1Cl ZINC001232111359 1038177000 /nfs/dbraw/zinc/17/70/00/1038177000.db2.gz AXESQRGFOIQJJY-RBUKOAKNSA-N 1 2 366.852 2.982 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)cc1Cl ZINC001232111359 1038177007 /nfs/dbraw/zinc/17/70/07/1038177007.db2.gz AXESQRGFOIQJJY-RBUKOAKNSA-N 1 2 366.852 2.982 20 30 FFEDLO N#Cc1ccc(CN2CCc3[nH+]cc(Cn4cccn4)n3CC2)cc1Cl ZINC001232114877 1038179997 /nfs/dbraw/zinc/17/99/97/1038179997.db2.gz YIVZCCJPCJWRRW-UHFFFAOYSA-N 1 2 366.856 2.711 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CCc1ccccn1 ZINC001208283818 1038186567 /nfs/dbraw/zinc/18/65/67/1038186567.db2.gz DEUHEEHTBOLPOF-FOIQADDNSA-N 1 2 366.440 2.662 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CCc1ccccn1 ZINC001208283818 1038186575 /nfs/dbraw/zinc/18/65/75/1038186575.db2.gz DEUHEEHTBOLPOF-FOIQADDNSA-N 1 2 366.440 2.662 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccoc3)no2)C[C@H]1C ZINC001208292399 1038196909 /nfs/dbraw/zinc/19/69/09/1038196909.db2.gz UNPDBQAHLLFRSR-UKRRQHHQSA-N 1 2 358.442 2.868 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccoc3)no2)C[C@H]1C ZINC001208292399 1038196918 /nfs/dbraw/zinc/19/69/18/1038196918.db2.gz UNPDBQAHLLFRSR-UKRRQHHQSA-N 1 2 358.442 2.868 20 30 FFEDLO CCOC(=O)c1cc(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)[nH]n1 ZINC001237046556 1038421367 /nfs/dbraw/zinc/42/13/67/1038421367.db2.gz WGNXNQAMHGDNMY-QGZVFWFLSA-N 1 2 354.410 2.501 20 30 FFEDLO CCOC(=O)c1cc(C[N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)[nH]n1 ZINC001237046556 1038421376 /nfs/dbraw/zinc/42/13/76/1038421376.db2.gz WGNXNQAMHGDNMY-QGZVFWFLSA-N 1 2 354.410 2.501 20 30 FFEDLO CC1=CCC=C[C@@H]1C(=O)N1CCO[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001278925500 1038463477 /nfs/dbraw/zinc/46/34/77/1038463477.db2.gz BWGVPIYUOHEHTK-OTWHNJEPSA-N 1 2 369.490 2.554 20 30 FFEDLO CC1=CCC=C[C@@H]1C(=O)N1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001278925500 1038463480 /nfs/dbraw/zinc/46/34/80/1038463480.db2.gz BWGVPIYUOHEHTK-OTWHNJEPSA-N 1 2 369.490 2.554 20 30 FFEDLO C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC001208892008 1038579139 /nfs/dbraw/zinc/57/91/39/1038579139.db2.gz ZEWNABVJOVXNPY-UHFFFAOYSA-N 1 2 372.465 2.638 20 30 FFEDLO C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC001208892008 1038579143 /nfs/dbraw/zinc/57/91/43/1038579143.db2.gz ZEWNABVJOVXNPY-UHFFFAOYSA-N 1 2 372.465 2.638 20 30 FFEDLO CC[C@H](C)N1CCC2(CC[NH+](CC(=O)c3ccc(C#N)cc3)CC2)C1=O ZINC001276627579 1038719382 /nfs/dbraw/zinc/71/93/82/1038719382.db2.gz OASBCYXFUJQVJP-INIZCTEOSA-N 1 2 353.466 2.854 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](CCOc2ccccc2)Cc2nnn(CC3CC3)c21 ZINC001209298287 1038748771 /nfs/dbraw/zinc/74/87/71/1038748771.db2.gz SHIGXPOSALTINQ-GOSISDBHSA-N 1 2 368.481 2.869 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](CCOc2ccccc2)Cc2nnn(CC3CC3)c21 ZINC001209298287 1038748778 /nfs/dbraw/zinc/74/87/78/1038748778.db2.gz SHIGXPOSALTINQ-GOSISDBHSA-N 1 2 368.481 2.869 20 30 FFEDLO Cc1cc(C[NH+]2CC3(CN(Cc4cc(C#N)ccc4Cl)C3)C2)n(C)n1 ZINC001278611894 1038790133 /nfs/dbraw/zinc/79/01/33/1038790133.db2.gz RLEWNWVTQJWWNB-UHFFFAOYSA-N 1 2 355.873 2.571 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1c[nH]c2ccc(C)cc12 ZINC001209492183 1038924967 /nfs/dbraw/zinc/92/49/67/1038924967.db2.gz GQWRTVVDBYYQSB-IBGZPJMESA-N 1 2 351.454 2.907 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1c[nH]c2ccc(C)cc12 ZINC001209492183 1038924975 /nfs/dbraw/zinc/92/49/75/1038924975.db2.gz GQWRTVVDBYYQSB-IBGZPJMESA-N 1 2 351.454 2.907 20 30 FFEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OC ZINC001257800936 1038983422 /nfs/dbraw/zinc/98/34/22/1038983422.db2.gz QPPFQRBKGKSGDW-TWOQFEAHSA-N 1 2 364.486 2.711 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)c[nH]1 ZINC001276668146 1039189038 /nfs/dbraw/zinc/18/90/38/1039189038.db2.gz SXIVUNFPPCBYMH-HUUCEWRRSA-N 1 2 352.276 2.919 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)c[nH]1 ZINC001276668146 1039189052 /nfs/dbraw/zinc/18/90/52/1039189052.db2.gz SXIVUNFPPCBYMH-HUUCEWRRSA-N 1 2 352.276 2.919 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1Cc1cccc(-c2ccc(OC(F)(F)F)cc2)n1 ZINC001210122989 1039392830 /nfs/dbraw/zinc/39/28/30/1039392830.db2.gz XLDNKDNZBGBJGE-OAHLLOKOSA-N 1 2 362.355 2.945 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1Cc1c(Br)cccc1Br ZINC001210121027 1039393563 /nfs/dbraw/zinc/39/35/63/1039393563.db2.gz JDMVZVACTNDELM-VIFPVBQESA-N 1 2 359.065 2.509 20 30 FFEDLO O=C1C=C2C[N@H+]([C@H]3CCC(=O)N(Cc4ccccc4)CC3)CC[C@H]2S1 ZINC001258582785 1039440652 /nfs/dbraw/zinc/44/06/52/1039440652.db2.gz JHYYZGLVVLRYBN-ZWKOTPCHSA-N 1 2 356.491 2.842 20 30 FFEDLO O=C1C=C2C[N@@H+]([C@H]3CCC(=O)N(Cc4ccccc4)CC3)CC[C@H]2S1 ZINC001258582785 1039440655 /nfs/dbraw/zinc/44/06/55/1039440655.db2.gz JHYYZGLVVLRYBN-ZWKOTPCHSA-N 1 2 356.491 2.842 20 30 FFEDLO CC(F)(F)C[NH2+]C[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252310372 1039492654 /nfs/dbraw/zinc/49/26/54/1039492654.db2.gz MYSYZKMMUAPDQN-CYBMUJFWSA-N 1 2 365.302 2.511 20 30 FFEDLO COC(=O)c1cccc([C@H]2CNCC[N@@H+]2[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001247016080 1039581865 /nfs/dbraw/zinc/58/18/65/1039581865.db2.gz MANLNLZHOVQHFN-HRAATJIYSA-N 1 2 363.461 2.922 20 30 FFEDLO COC(=O)c1cccc([C@H]2CNCC[N@H+]2[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001247016080 1039581873 /nfs/dbraw/zinc/58/18/73/1039581873.db2.gz MANLNLZHOVQHFN-HRAATJIYSA-N 1 2 363.461 2.922 20 30 FFEDLO C=CCOc1ccc(-c2noc([C@@H](Cc3c[nH]c[nH+]3)NC(C)=O)n2)c(F)c1 ZINC001247125035 1039618473 /nfs/dbraw/zinc/61/84/73/1039618473.db2.gz BVALYIUYVAWNOZ-MRXNPFEDSA-N 1 2 371.372 2.584 20 30 FFEDLO C=CCOc1ccc(-c2noc([C@@H](Cc3c[nH+]c[nH]3)NC(C)=O)n2)c(F)c1 ZINC001247125035 1039618478 /nfs/dbraw/zinc/61/84/78/1039618478.db2.gz BVALYIUYVAWNOZ-MRXNPFEDSA-N 1 2 371.372 2.584 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)OCc2ccc(F)cc2)C1 ZINC001210699694 1039677917 /nfs/dbraw/zinc/67/79/17/1039677917.db2.gz BNNFVKLDZINQSW-HACGYAERSA-N 1 2 354.853 2.920 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)OCc2ccc(F)cc2)C1 ZINC001210699694 1039677923 /nfs/dbraw/zinc/67/79/23/1039677923.db2.gz BNNFVKLDZINQSW-HACGYAERSA-N 1 2 354.853 2.920 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COc2ccccc2C)C1 ZINC001210736492 1039699227 /nfs/dbraw/zinc/69/92/27/1039699227.db2.gz YMAAXGPEJKQFFL-UKRRQHHQSA-N 1 2 367.287 2.719 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COc2ccccc2C)C1 ZINC001210736492 1039699239 /nfs/dbraw/zinc/69/92/39/1039699239.db2.gz YMAAXGPEJKQFFL-UKRRQHHQSA-N 1 2 367.287 2.719 20 30 FFEDLO CCCCCCCCCC[C@@H](O)CN[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001252988142 1039896409 /nfs/dbraw/zinc/89/64/09/1039896409.db2.gz BKOPUJRLTSCTCQ-MOPGFXCFSA-N 1 2 367.534 2.986 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[N@@H+](Cc2nonc2C)C[C@H]1C ZINC001211217628 1040003562 /nfs/dbraw/zinc/00/35/62/1040003562.db2.gz AYFROPWWFYAKKM-AYOQOUSVSA-N 1 2 368.481 2.750 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[N@H+](Cc2nonc2C)C[C@H]1C ZINC001211217628 1040003580 /nfs/dbraw/zinc/00/35/80/1040003580.db2.gz AYFROPWWFYAKKM-AYOQOUSVSA-N 1 2 368.481 2.750 20 30 FFEDLO Cc1nc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)cs1 ZINC001211224746 1040009814 /nfs/dbraw/zinc/00/98/14/1040009814.db2.gz ULYKXALCUMKWLN-DNVCBOLYSA-N 1 2 353.491 2.830 20 30 FFEDLO Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)cs1 ZINC001211224746 1040009823 /nfs/dbraw/zinc/00/98/23/1040009823.db2.gz ULYKXALCUMKWLN-DNVCBOLYSA-N 1 2 353.491 2.830 20 30 FFEDLO C=CCCCCCC[C@H](O)C[N@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001253236286 1040059941 /nfs/dbraw/zinc/05/99/41/1040059941.db2.gz RJFNETHPLSNOCX-WMZOPIPTSA-N 1 2 350.507 2.731 20 30 FFEDLO C=CCCCCCC[C@H](O)C[N@@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001253236286 1040059954 /nfs/dbraw/zinc/05/99/54/1040059954.db2.gz RJFNETHPLSNOCX-WMZOPIPTSA-N 1 2 350.507 2.731 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3nc(C)no3)C[C@H]2C)CCCCC1 ZINC001211406527 1040163871 /nfs/dbraw/zinc/16/38/71/1040163871.db2.gz QVZOZHRAJCPISO-BFYDXBDKSA-N 1 2 358.486 2.849 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3nc(C)no3)C[C@H]2C)CCCCC1 ZINC001211406527 1040163875 /nfs/dbraw/zinc/16/38/75/1040163875.db2.gz QVZOZHRAJCPISO-BFYDXBDKSA-N 1 2 358.486 2.849 20 30 FFEDLO C#CC[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1C)c1ccccc1 ZINC001211473628 1040237439 /nfs/dbraw/zinc/23/74/39/1040237439.db2.gz VHVHDYYSYFEIQU-SZVBFZGTSA-N 1 2 368.506 2.672 20 30 FFEDLO C#CC[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1C)c1ccccc1 ZINC001211473628 1040237454 /nfs/dbraw/zinc/23/74/54/1040237454.db2.gz VHVHDYYSYFEIQU-SZVBFZGTSA-N 1 2 368.506 2.672 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(C)c(Cl)cn1)C2 ZINC001276699969 1040345911 /nfs/dbraw/zinc/34/59/11/1040345911.db2.gz WUGKXPCIIWHKMU-LJQANCHMSA-N 1 2 363.889 2.670 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(C)c(Cl)cn1)C2 ZINC001276699969 1040345923 /nfs/dbraw/zinc/34/59/23/1040345923.db2.gz WUGKXPCIIWHKMU-LJQANCHMSA-N 1 2 363.889 2.670 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213269481 1040394147 /nfs/dbraw/zinc/39/41/47/1040394147.db2.gz RHVPFPFKWDAEBC-NHCUHLMSSA-N 1 2 370.468 2.576 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213269481 1040394157 /nfs/dbraw/zinc/39/41/57/1040394157.db2.gz RHVPFPFKWDAEBC-NHCUHLMSSA-N 1 2 370.468 2.576 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)CC(C)=C(C)C ZINC001213282948 1040407240 /nfs/dbraw/zinc/40/72/40/1040407240.db2.gz KULSUSONWQGDFH-WOJBJXKFSA-N 1 2 358.457 2.739 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)CC(C)=C(C)C ZINC001213282948 1040407252 /nfs/dbraw/zinc/40/72/52/1040407252.db2.gz KULSUSONWQGDFH-WOJBJXKFSA-N 1 2 358.457 2.739 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2sccc2Cl)C[C@H]1OC ZINC001213303176 1040425882 /nfs/dbraw/zinc/42/58/82/1040425882.db2.gz GVACCNKDVFINDM-HUUCEWRRSA-N 1 2 354.903 2.911 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2sccc2Cl)C[C@H]1OC ZINC001213303176 1040425891 /nfs/dbraw/zinc/42/58/91/1040425891.db2.gz GVACCNKDVFINDM-HUUCEWRRSA-N 1 2 354.903 2.911 20 30 FFEDLO CCCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213362645 1040477815 /nfs/dbraw/zinc/47/78/15/1040477815.db2.gz IVIXNBWPVWXTGW-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO CCCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213362645 1040477819 /nfs/dbraw/zinc/47/78/19/1040477819.db2.gz IVIXNBWPVWXTGW-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3cnn4ccc(C#N)cc34)C2)C1 ZINC001249086326 1040573150 /nfs/dbraw/zinc/57/31/50/1040573150.db2.gz COVRAWFVBQDOLP-UHFFFAOYSA-N 1 2 367.453 2.649 20 30 FFEDLO COc1ccc2c(c1)CC[NH2+][C@H]2c1nc(-c2cc(C#N)ccc2F)no1 ZINC001249143390 1040604636 /nfs/dbraw/zinc/60/46/36/1040604636.db2.gz UEELNWHNXVHRNR-QGZVFWFLSA-N 1 2 350.353 2.991 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+](CCC#N)Cc2cccnc2)CC1=O ZINC001254245600 1040640114 /nfs/dbraw/zinc/64/01/14/1040640114.db2.gz LNXOYRSIHZSHEG-INIZCTEOSA-N 1 2 358.442 2.723 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](CCC#N)Cc2cccnc2)CC1=O ZINC001254245600 1040640117 /nfs/dbraw/zinc/64/01/17/1040640117.db2.gz LNXOYRSIHZSHEG-INIZCTEOSA-N 1 2 358.442 2.723 20 30 FFEDLO CCCCCCCCOC(=O)CNC1CC[NH+](CC(=O)OCC)CC1 ZINC001254399628 1040699798 /nfs/dbraw/zinc/69/97/98/1040699798.db2.gz NWRQZWNJRBXJLF-UHFFFAOYSA-N 1 2 356.507 2.507 20 30 FFEDLO N#Cc1ccc2cc(CN3CCc4onc(Cn5cc[nH+]c5)c4C3)[nH]c2c1 ZINC001249427926 1040757056 /nfs/dbraw/zinc/75/70/56/1040757056.db2.gz VMRVSOMSPWOSHW-UHFFFAOYSA-N 1 2 358.405 2.831 20 30 FFEDLO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1nc(C(=O)OC)cs1)C2 ZINC001249473012 1040792315 /nfs/dbraw/zinc/79/23/15/1040792315.db2.gz KAZSEZCILIVWMS-YJBOKZPZSA-N 1 2 366.483 2.503 20 30 FFEDLO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1nc(C(=O)OC)cs1)C2 ZINC001249473012 1040792322 /nfs/dbraw/zinc/79/23/22/1040792322.db2.gz KAZSEZCILIVWMS-YJBOKZPZSA-N 1 2 366.483 2.503 20 30 FFEDLO Cc1nc(COC[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C#N)C3)Cc3ncn(C)c32)cs1 ZINC001254664963 1040865868 /nfs/dbraw/zinc/86/58/68/1040865868.db2.gz KMPNPXCWSWLAET-VYDXJSESSA-N 1 2 371.510 2.993 20 30 FFEDLO Cc1nc(COC[C@@H]2C[N@H+]([C@H]3CC[C@@H](C#N)C3)Cc3ncn(C)c32)cs1 ZINC001254664963 1040865883 /nfs/dbraw/zinc/86/58/83/1040865883.db2.gz KMPNPXCWSWLAET-VYDXJSESSA-N 1 2 371.510 2.993 20 30 FFEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]1OC ZINC001213770821 1040889624 /nfs/dbraw/zinc/88/96/24/1040889624.db2.gz KFYORORNEFFWHN-FGTMMUONSA-N 1 2 369.550 2.597 20 30 FFEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@H]1OC ZINC001213770821 1040889636 /nfs/dbraw/zinc/88/96/36/1040889636.db2.gz KFYORORNEFFWHN-FGTMMUONSA-N 1 2 369.550 2.597 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)cn2)C[C@H]1OC ZINC001213771129 1040890892 /nfs/dbraw/zinc/89/08/92/1040890892.db2.gz UKHPZWZUMYHEER-RTBURBONSA-N 1 2 362.518 2.851 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)cn2)C[C@H]1OC ZINC001213771129 1040890907 /nfs/dbraw/zinc/89/09/07/1040890907.db2.gz UKHPZWZUMYHEER-RTBURBONSA-N 1 2 362.518 2.851 20 30 FFEDLO CN(C)c1ncccc1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001261175986 1041049149 /nfs/dbraw/zinc/04/91/49/1041049149.db2.gz NMHZHEHEYUNYCV-UHFFFAOYSA-N 1 2 355.873 2.995 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cnc(Cl)c(OC)c3)C2)CC1 ZINC001249916655 1041059132 /nfs/dbraw/zinc/05/91/32/1041059132.db2.gz FUFCGYFBWBOAGB-UHFFFAOYSA-N 1 2 365.861 2.964 20 30 FFEDLO C=C[C@@H](COC)[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001261378356 1041200340 /nfs/dbraw/zinc/20/03/40/1041200340.db2.gz WPCRYPQZEIXMRF-LBPRGKRZSA-N 1 2 353.488 2.727 20 30 FFEDLO Nc1ccccc1C(NO)=[NH+]c1ccc(CN2CCOCC2)c(Cl)c1 ZINC001216172267 1041970399 /nfs/dbraw/zinc/97/03/99/1041970399.db2.gz APUSTJYYBZCPAR-UHFFFAOYSA-N 1 2 360.845 2.812 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCc2cc(Cl)nnc2C1 ZINC001262948142 1041982354 /nfs/dbraw/zinc/98/23/54/1041982354.db2.gz CERXFXOSAJVSTE-OAHLLOKOSA-N 1 2 373.892 2.627 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCc2cc(Cl)nnc2C1 ZINC001262948142 1041982358 /nfs/dbraw/zinc/98/23/58/1041982358.db2.gz CERXFXOSAJVSTE-OAHLLOKOSA-N 1 2 373.892 2.627 20 30 FFEDLO C=CCn1c(N(Cc2ccccc2)C2CC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001262987746 1042011833 /nfs/dbraw/zinc/01/18/33/1042011833.db2.gz FWLJVBNEFOIVGR-RXVVDRJESA-N 1 2 367.497 2.545 20 30 FFEDLO C=CCn1c(N(Cc2ccccc2)C2CC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001262987746 1042011837 /nfs/dbraw/zinc/01/18/37/1042011837.db2.gz FWLJVBNEFOIVGR-RXVVDRJESA-N 1 2 367.497 2.545 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC2(C1)CCOCC2 ZINC001263342105 1042250391 /nfs/dbraw/zinc/25/03/91/1042250391.db2.gz IYVPGUQCVXHHFM-UHFFFAOYSA-N 1 2 359.518 2.847 20 30 FFEDLO C=CCN(C)c1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1CC1CC1 ZINC001263745342 1042463223 /nfs/dbraw/zinc/46/32/23/1042463223.db2.gz FRCRQFQSHRIHGN-LJQANCHMSA-N 1 2 367.497 2.884 20 30 FFEDLO C=CCN(C)c1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1CC1CC1 ZINC001263745342 1042463226 /nfs/dbraw/zinc/46/32/26/1042463226.db2.gz FRCRQFQSHRIHGN-LJQANCHMSA-N 1 2 367.497 2.884 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)CC[C@@H]1c1ccccc1 ZINC001264037205 1042590928 /nfs/dbraw/zinc/59/09/28/1042590928.db2.gz ZPCRKLFBTCMGJI-NHCUHLMSSA-N 1 2 364.493 2.554 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@@H]1c1ccccc1 ZINC001264037205 1042590930 /nfs/dbraw/zinc/59/09/30/1042590930.db2.gz ZPCRKLFBTCMGJI-NHCUHLMSSA-N 1 2 364.493 2.554 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2cccc(F)c2)[C@@H]1C ZINC001264157344 1042642556 /nfs/dbraw/zinc/64/25/56/1042642556.db2.gz BOCVWUGFPIVKCA-RKVPGOIHSA-N 1 2 361.461 2.946 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2cccc(F)c2)[C@@H]1C ZINC001264157344 1042642558 /nfs/dbraw/zinc/64/25/58/1042642558.db2.gz BOCVWUGFPIVKCA-RKVPGOIHSA-N 1 2 361.461 2.946 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3cncc(OC)n3)[C@@H]2C)CCCCC1 ZINC001264734989 1042816449 /nfs/dbraw/zinc/81/64/49/1042816449.db2.gz LMAMEDGDXQIZRD-AEFFLSMTSA-N 1 2 370.497 2.538 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2CC[N@H+](Cc3cncc(OC)n3)[C@@H]2C)CCCCC1 ZINC001264734989 1042816455 /nfs/dbraw/zinc/81/64/55/1042816455.db2.gz LMAMEDGDXQIZRD-AEFFLSMTSA-N 1 2 370.497 2.538 20 30 FFEDLO CSc1ccc(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)cc1 ZINC001279188397 1042938907 /nfs/dbraw/zinc/93/89/07/1042938907.db2.gz MCNYMDGDUOWXPP-UHFFFAOYSA-N 1 2 352.507 2.936 20 30 FFEDLO Cc1ccc(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c(F)c1F ZINC001279440399 1043113657 /nfs/dbraw/zinc/11/36/57/1043113657.db2.gz XCUXUFOIHFXBPS-UHFFFAOYSA-N 1 2 356.420 2.801 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(CCc4c(F)cccc4F)C3)C2)cc1C#N ZINC001279478906 1043163936 /nfs/dbraw/zinc/16/39/36/1043163936.db2.gz MKVWFNCWMKGXOG-UHFFFAOYSA-N 1 2 356.420 2.535 20 30 FFEDLO Cn1cc(CN2CC3(C2)C[NH+](CCc2c(F)cccc2F)C3)cc1C#N ZINC001279478906 1043163941 /nfs/dbraw/zinc/16/39/41/1043163941.db2.gz MKVWFNCWMKGXOG-UHFFFAOYSA-N 1 2 356.420 2.535 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3c(Cl)[nH]c4cnccc43)CC2)c1 ZINC001237460310 1043178838 /nfs/dbraw/zinc/17/88/38/1043178838.db2.gz FEQPULHABMVGHM-UHFFFAOYSA-N 1 2 352.829 2.805 20 30 FFEDLO N#Cc1ccc2nc(C[NH+]3CCC(O)(c4ccccc4F)CC3)cn2c1 ZINC001237615352 1043273636 /nfs/dbraw/zinc/27/36/36/1043273636.db2.gz VZIBHVMYRYEMTL-UHFFFAOYSA-N 1 2 350.397 2.829 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cn3cc(C#N)ccc3n2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001237619124 1043275596 /nfs/dbraw/zinc/27/55/96/1043275596.db2.gz XASQZCRXUHVVJM-CJNGLKHVSA-N 1 2 355.442 2.551 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cn3cc(C#N)ccc3n2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001237619124 1043275601 /nfs/dbraw/zinc/27/56/01/1043275601.db2.gz XASQZCRXUHVVJM-CJNGLKHVSA-N 1 2 355.442 2.551 20 30 FFEDLO CC1=CCC=C[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](Cc1[nH]ccc1C#N)C2 ZINC001279685908 1043467015 /nfs/dbraw/zinc/46/70/15/1043467015.db2.gz JABWTKXHJYDWFD-SFHVURJKSA-N 1 2 350.466 2.833 20 30 FFEDLO CC1=CCC=C[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](Cc1[nH]ccc1C#N)C2 ZINC001279685908 1043467021 /nfs/dbraw/zinc/46/70/21/1043467021.db2.gz JABWTKXHJYDWFD-SFHVURJKSA-N 1 2 350.466 2.833 20 30 FFEDLO N#Cc1cc(F)ccc1S(=O)(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001309800729 1043532762 /nfs/dbraw/zinc/53/27/62/1043532762.db2.gz XJQAPFKHUNLBPG-QGZVFWFLSA-N 1 2 370.409 2.614 20 30 FFEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC2(C[C@H]2C(=O)Nc2nnco2)CC1 ZINC001279740568 1043563209 /nfs/dbraw/zinc/56/32/09/1043563209.db2.gz YTBNXEMMZNINIQ-AWEZNQCLSA-N 1 2 371.828 2.835 20 30 FFEDLO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001310963321 1043773693 /nfs/dbraw/zinc/77/36/93/1043773693.db2.gz IGICLFRQVNJFHE-OAHLLOKOSA-N 1 2 374.404 2.997 20 30 FFEDLO C=CCCNC(=S)N1CC[C@H]2C[N@H+](Cc3nc4ccccc4[nH]3)C[C@H]21 ZINC001279937042 1043950061 /nfs/dbraw/zinc/95/00/61/1043950061.db2.gz WTAPITWGWDXKBQ-WMLDXEAASA-N 1 2 355.511 2.520 20 30 FFEDLO C=CCCNC(=S)N1CC[C@H]2C[N@@H+](Cc3nc4ccccc4[nH]3)C[C@H]21 ZINC001279937042 1043950065 /nfs/dbraw/zinc/95/00/65/1043950065.db2.gz WTAPITWGWDXKBQ-WMLDXEAASA-N 1 2 355.511 2.520 20 30 FFEDLO Cc1cccc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)c1C#N ZINC001319480962 1045164578 /nfs/dbraw/zinc/16/45/78/1045164578.db2.gz JDSOPWCGYPCNEV-HKUYNNGSSA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1cccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c1C#N ZINC001319480962 1045164584 /nfs/dbraw/zinc/16/45/84/1045164584.db2.gz JDSOPWCGYPCNEV-HKUYNNGSSA-N 1 2 373.453 2.730 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCC=C)CC1 ZINC001539441440 1070638190 /nfs/dbraw/zinc/63/81/90/1070638190.db2.gz OZHINMJVZKEJOZ-UHFFFAOYSA-N 1 2 374.492 2.928 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001539430869 1070636955 /nfs/dbraw/zinc/63/69/55/1070636955.db2.gz MZUUMASWQUUYJL-QRVBRYPASA-N 1 2 373.545 2.608 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2c[nH]c[nH+]2)CCCC1 ZINC001282654482 1046023318 /nfs/dbraw/zinc/02/33/18/1046023318.db2.gz BDOBJKFPLWZQAX-SQNIBIBYSA-N 1 2 370.497 2.727 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2c[nH+]c[nH]2)CCCC1 ZINC001282654482 1046023331 /nfs/dbraw/zinc/02/33/31/1046023331.db2.gz BDOBJKFPLWZQAX-SQNIBIBYSA-N 1 2 370.497 2.727 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2sc(C)cc2C(=O)OCC)C1 ZINC001325227459 1046425585 /nfs/dbraw/zinc/42/55/85/1046425585.db2.gz FMNJLXDEXTYFJK-ZIAGYGMSSA-N 1 2 366.483 2.837 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc(C)cc2C(=O)OCC)C1 ZINC001325227459 1046425589 /nfs/dbraw/zinc/42/55/89/1046425589.db2.gz FMNJLXDEXTYFJK-ZIAGYGMSSA-N 1 2 366.483 2.837 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2[C@@H]2C[C@H]2CCC)CC1 ZINC001286474976 1047120965 /nfs/dbraw/zinc/12/09/65/1047120965.db2.gz PJCRAUOWNCYFGO-IAGOWNOFSA-N 1 2 353.470 2.963 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2CCCOC(C)C)CC1 ZINC001286478909 1047121353 /nfs/dbraw/zinc/12/13/53/1047121353.db2.gz IEXPTRFKZMAARF-UHFFFAOYSA-N 1 2 359.518 2.506 20 30 FFEDLO C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1CC1([NH+]2CCOCC2)CC1 ZINC001286517174 1047126558 /nfs/dbraw/zinc/12/65/58/1047126558.db2.gz PCTHFAKXFNGNHJ-YLJYHZDGSA-N 1 2 371.529 2.649 20 30 FFEDLO Cc1cc(C[N@@H+]2CCCN(c3cc(C(F)(F)F)cnc3C#N)CC2)no1 ZINC001327361722 1047865123 /nfs/dbraw/zinc/86/51/23/1047865123.db2.gz USHJJTTYKHUUBX-UHFFFAOYSA-N 1 2 365.359 2.981 20 30 FFEDLO Cc1cc(C[N@H+]2CCCN(c3cc(C(F)(F)F)cnc3C#N)CC2)no1 ZINC001327361722 1047865137 /nfs/dbraw/zinc/86/51/37/1047865137.db2.gz USHJJTTYKHUUBX-UHFFFAOYSA-N 1 2 365.359 2.981 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001328754826 1048451076 /nfs/dbraw/zinc/45/10/76/1048451076.db2.gz BPFIRNAWGBNCTO-CYBMUJFWSA-N 1 2 362.271 2.811 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001328754826 1048451079 /nfs/dbraw/zinc/45/10/79/1048451079.db2.gz BPFIRNAWGBNCTO-CYBMUJFWSA-N 1 2 362.271 2.811 20 30 FFEDLO N#Cc1cccc(NC(=O)CCNc2ccc([NH+]3CCC(O)CC3)cc2)c1 ZINC001329143791 1048596163 /nfs/dbraw/zinc/59/61/63/1048596163.db2.gz XIGBHUADPNZQMY-UHFFFAOYSA-N 1 2 364.449 2.960 20 30 FFEDLO N#Cc1cccc(NC(=O)CC[NH2+]c2ccc(N3CCC(O)CC3)cc2)c1 ZINC001329143791 1048596178 /nfs/dbraw/zinc/59/61/78/1048596178.db2.gz XIGBHUADPNZQMY-UHFFFAOYSA-N 1 2 364.449 2.960 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001291884509 1048970382 /nfs/dbraw/zinc/97/03/82/1048970382.db2.gz WYXVRWWMWGRPDG-IKGGRYGDSA-N 1 2 370.497 2.727 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001291887614 1048971743 /nfs/dbraw/zinc/97/17/43/1048971743.db2.gz OSWPQHZDUONYQT-SQNIBIBYSA-N 1 2 366.465 2.861 20 30 FFEDLO CN(C)S(=O)(=O)c1ccccc1N[NH+]=Cc1ccc(N2CCCC2)cc1 ZINC001330192875 1049076478 /nfs/dbraw/zinc/07/64/78/1049076478.db2.gz RUOXOARVDLOHIU-UHFFFAOYSA-N 1 2 372.494 2.983 20 30 FFEDLO C=CCCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001292108266 1049121929 /nfs/dbraw/zinc/12/19/29/1049121929.db2.gz MAPBUZMXCONCJR-KURKYZTESA-N 1 2 366.465 2.861 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001292281233 1049239774 /nfs/dbraw/zinc/23/97/74/1049239774.db2.gz RVFWAKIIYMIHOA-UWJYYQICSA-N 1 2 370.497 2.608 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001292281233 1049239783 /nfs/dbraw/zinc/23/97/83/1049239783.db2.gz RVFWAKIIYMIHOA-UWJYYQICSA-N 1 2 370.497 2.608 20 30 FFEDLO N#Cc1ccc(N[C@H]2CCCN(C(=O)Nc3ccc4[nH+]ccn4c3)C2)nc1 ZINC001334105597 1049251317 /nfs/dbraw/zinc/25/13/17/1049251317.db2.gz KVCRAJJYZMIBRV-HNNXBMFYSA-N 1 2 361.409 2.709 20 30 FFEDLO CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001292437410 1049344185 /nfs/dbraw/zinc/34/41/85/1049344185.db2.gz LPFWVOGBHIPRSD-OAHLLOKOSA-N 1 2 356.426 2.888 20 30 FFEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001339934159 1050350576 /nfs/dbraw/zinc/35/05/76/1050350576.db2.gz VQSNSUHLQKDWLU-HNNXBMFYSA-N 1 2 352.475 2.827 20 30 FFEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001339934159 1050350589 /nfs/dbraw/zinc/35/05/89/1050350589.db2.gz VQSNSUHLQKDWLU-HNNXBMFYSA-N 1 2 352.475 2.827 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1C[C@@H](CC)O[C@H](CC)C1 ZINC001341756617 1050374500 /nfs/dbraw/zinc/37/45/00/1050374500.db2.gz XGNDSMWERZXHDT-HZPDHXFCSA-N 1 2 358.490 2.572 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001341837928 1050449982 /nfs/dbraw/zinc/44/99/82/1050449982.db2.gz HLJHIKXFORINAM-UONLAYADSA-N 1 2 373.545 2.781 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001341837928 1050449988 /nfs/dbraw/zinc/44/99/88/1050449988.db2.gz HLJHIKXFORINAM-UONLAYADSA-N 1 2 373.545 2.781 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)CCc1ccccc1F ZINC001341868257 1050476646 /nfs/dbraw/zinc/47/66/46/1050476646.db2.gz KBSXSDZGPKAMEK-UHFFFAOYSA-N 1 2 368.460 2.997 20 30 FFEDLO C=CCn1c(-c2ccsc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001340132360 1050535360 /nfs/dbraw/zinc/53/53/60/1050535360.db2.gz FNZQYOAVZJFSJY-UHFFFAOYSA-N 1 2 352.467 2.914 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCN(c2ccccc2)CC1 ZINC001340298209 1050698504 /nfs/dbraw/zinc/69/85/04/1050698504.db2.gz YGNSXOYLSAZXFN-UHFFFAOYSA-N 1 2 366.513 2.777 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1C[C@]2(C)COC[C@]2(C)C1 ZINC001342232476 1050822928 /nfs/dbraw/zinc/82/29/28/1050822928.db2.gz CBHULUZJAYDQIJ-BGYRXZFFSA-N 1 2 359.518 2.703 20 30 FFEDLO C=CCC(C)(C)Cn1c(CC(C)C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001301151856 1050823272 /nfs/dbraw/zinc/82/32/72/1050823272.db2.gz RNIAEFHRBZLTOI-UHFFFAOYSA-N 1 2 363.550 2.847 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC2(CCC2)OC[C@H]1C ZINC001342340694 1050935951 /nfs/dbraw/zinc/93/59/51/1050935951.db2.gz GAQXUMZQFXRYJA-QGZVFWFLSA-N 1 2 359.518 2.988 20 30 FFEDLO C[C@@H](CC#N)N(C)c1nnc(Cc2[nH+]ccn2C)n1CCc1ccccc1 ZINC001340750637 1051106314 /nfs/dbraw/zinc/10/63/14/1051106314.db2.gz ILEMBWLUTXEILV-INIZCTEOSA-N 1 2 363.469 2.583 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC=C(Br)C1 ZINC001342533123 1051136890 /nfs/dbraw/zinc/13/68/90/1051136890.db2.gz KTRSPZURIQAROX-UHFFFAOYSA-N 1 2 366.307 2.939 20 30 FFEDLO C=C(C)Cn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1[C@@](C)(O)CC ZINC001342880963 1051490881 /nfs/dbraw/zinc/49/08/81/1051490881.db2.gz NNSLAPWRYVAXFV-FQEVSTJZSA-N 1 2 370.501 2.948 20 30 FFEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(F)CC1 ZINC001342921202 1051531549 /nfs/dbraw/zinc/53/15/49/1051531549.db2.gz KMQVBTWDNFKLBH-UHFFFAOYSA-N 1 2 362.497 2.965 20 30 FFEDLO CC(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1Cc2ccc(C#N)cc2C1 ZINC001342953642 1051567847 /nfs/dbraw/zinc/56/78/47/1051567847.db2.gz WJMZCLDITFCPBZ-UHFFFAOYSA-N 1 2 361.453 2.650 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N(C)Cc1cnn(C)c1C ZINC001342978332 1051594517 /nfs/dbraw/zinc/59/45/17/1051594517.db2.gz JKIXFKUDPYQGGV-UHFFFAOYSA-N 1 2 357.506 2.518 20 30 FFEDLO C#CCN(CC)c1nnc([C@H](C)[N@H+](C)Cc2ccccc2)n1CCOC ZINC001343104946 1051723068 /nfs/dbraw/zinc/72/30/68/1051723068.db2.gz PRIAZSZUBOWBKG-KRWDZBQOSA-N 1 2 355.486 2.577 20 30 FFEDLO C#CCN(CC)c1nnc([C@H](C)[N@@H+](C)Cc2ccccc2)n1CCOC ZINC001343104946 1051723073 /nfs/dbraw/zinc/72/30/73/1051723073.db2.gz PRIAZSZUBOWBKG-KRWDZBQOSA-N 1 2 355.486 2.577 20 30 FFEDLO COCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CC1CCCC1 ZINC001343215891 1052070637 /nfs/dbraw/zinc/07/06/37/1052070637.db2.gz CJICBYKWIKKYOJ-UHFFFAOYSA-N 1 2 374.533 2.644 20 30 FFEDLO COCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)C1CCCCC1 ZINC001343218955 1052073076 /nfs/dbraw/zinc/07/30/76/1052073076.db2.gz YONQRYSXZUZRFX-UHFFFAOYSA-N 1 2 374.533 2.786 20 30 FFEDLO C#CCCN(CCOC)c1nnc([C@@H]2CCC[N@@H+]2C)n1Cc1cccs1 ZINC001344910143 1052122001 /nfs/dbraw/zinc/12/20/01/1052122001.db2.gz MIMOFVPSAVGRLV-KRWDZBQOSA-N 1 2 373.526 2.631 20 30 FFEDLO C#CCCN(CCOC)c1nnc([C@@H]2CCC[N@H+]2C)n1Cc1cccs1 ZINC001344910143 1052122005 /nfs/dbraw/zinc/12/20/05/1052122005.db2.gz MIMOFVPSAVGRLV-KRWDZBQOSA-N 1 2 373.526 2.631 20 30 FFEDLO C[C@H](C(=O)[C@H](C#N)c1nc(N)c2ccccc2n1)[N@@H+]1CCc2ccccc2C1 ZINC001343354875 1052179958 /nfs/dbraw/zinc/17/99/58/1052179958.db2.gz OEZQAPSERZLYGX-KDOFPFPSSA-N 1 2 371.444 2.835 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@H](c2ccn(C)n2)C1 ZINC001343460013 1052246175 /nfs/dbraw/zinc/24/61/75/1052246175.db2.gz TUYQZWISBNJKDB-FUHWJXTLSA-N 1 2 369.517 2.738 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@H](c2ccn(C)n2)C1 ZINC001343460013 1052246181 /nfs/dbraw/zinc/24/61/81/1052246181.db2.gz TUYQZWISBNJKDB-FUHWJXTLSA-N 1 2 369.517 2.738 20 30 FFEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](CF)C1 ZINC001345110637 1052264774 /nfs/dbraw/zinc/26/47/74/1052264774.db2.gz NYBZWPGHWHYIHL-INIZCTEOSA-N 1 2 362.497 2.823 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc(Cc2[nH+]ccn2C)n1Cc1cccs1 ZINC001343547841 1052299326 /nfs/dbraw/zinc/29/93/26/1052299326.db2.gz JRWIRVDIXBSSRU-HNNXBMFYSA-N 1 2 366.494 2.704 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccs1 ZINC001343559727 1052307258 /nfs/dbraw/zinc/30/72/58/1052307258.db2.gz USCGAYUBYLOTKY-PBHICJAKSA-N 1 2 360.462 2.597 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccs1 ZINC001343559727 1052307261 /nfs/dbraw/zinc/30/72/61/1052307261.db2.gz USCGAYUBYLOTKY-PBHICJAKSA-N 1 2 360.462 2.597 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@H](C)C[C@H]1CC ZINC001343580991 1052318615 /nfs/dbraw/zinc/31/86/15/1052318615.db2.gz KZYCRVNPJGAENU-SJLPKXTDSA-N 1 2 361.534 2.683 20 30 FFEDLO N#Cc1cc(F)ccc1N1CC[NH+](C[C@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC001308007516 1052382258 /nfs/dbraw/zinc/38/22/58/1052382258.db2.gz FORXPDQEKXQHJI-ZBFHGGJFSA-N 1 2 357.351 2.929 20 30 FFEDLO C=C(C)Cn1c(-c2ncc(C)o2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001343733455 1052394917 /nfs/dbraw/zinc/39/49/17/1052394917.db2.gz OWYWIYLLNHJOQR-UHFFFAOYSA-N 1 2 365.441 2.539 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc(Cc2[nH+]ccn2C)n1C[C@H]1CCOC1 ZINC001345427594 1052440534 /nfs/dbraw/zinc/44/05/34/1052440534.db2.gz NYHHNXUAJKKCCD-IAGOWNOFSA-N 1 2 370.501 2.574 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc(F)cc1 ZINC001308787731 1052500249 /nfs/dbraw/zinc/50/02/49/1052500249.db2.gz XXNAGFSIZSSSPZ-OAHLLOKOSA-N 1 2 352.818 2.591 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001344135964 1052619206 /nfs/dbraw/zinc/61/92/06/1052619206.db2.gz ZTNRLYVDRCOSBB-GVDBMIGSSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[C@](OC)(C(F)(F)F)C1 ZINC001345983906 1052695216 /nfs/dbraw/zinc/69/52/16/1052695216.db2.gz IFWWUDARBRPRNC-MRXNPFEDSA-N 1 2 373.423 2.608 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@H](CC#N)C2)n1C[C@@H]1CCOC1 ZINC001346608805 1053154184 /nfs/dbraw/zinc/15/41/84/1053154184.db2.gz NGZAQSULFJBROS-FGTMMUONSA-N 1 2 372.517 2.601 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@H](CC#N)C2)n1C[C@@H]1CCOC1 ZINC001346608805 1053154188 /nfs/dbraw/zinc/15/41/88/1053154188.db2.gz NGZAQSULFJBROS-FGTMMUONSA-N 1 2 372.517 2.601 20 30 FFEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001335439511 1053365545 /nfs/dbraw/zinc/36/55/45/1053365545.db2.gz FVMQQBGFAOXAIG-RTWAWAEBSA-N 1 2 360.461 2.947 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)N2CCC(c3c[nH+]cn3C)CC2)cc1 ZINC001347636951 1054179865 /nfs/dbraw/zinc/17/98/65/1054179865.db2.gz YLEFOCXEMFUKSQ-UHFFFAOYSA-N 1 2 367.453 2.747 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2cc(C#N)sc2[N+](=O)[O-])C[C@H](C)O1 ZINC001336748167 1054190651 /nfs/dbraw/zinc/19/06/51/1054190651.db2.gz PKMYPBDLXHXYEH-XQQFMLRXSA-N 1 2 350.444 2.606 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2c2cc(C#N)sc2[N+](=O)[O-])C[C@H](C)O1 ZINC001336748167 1054190663 /nfs/dbraw/zinc/19/06/63/1054190663.db2.gz PKMYPBDLXHXYEH-XQQFMLRXSA-N 1 2 350.444 2.606 20 30 FFEDLO CCn1c[nH+]cc1COC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001347972393 1054515382 /nfs/dbraw/zinc/51/53/82/1054515382.db2.gz OYTXENARSAZJMS-ZDUSSCGKSA-N 1 2 372.812 2.524 20 30 FFEDLO C=CC[C@@H](OC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)C(=O)OC ZINC001337356816 1054684164 /nfs/dbraw/zinc/68/41/64/1054684164.db2.gz KWQMKJPXYNZTPT-MRXNPFEDSA-N 1 2 355.394 2.672 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](CC)OCC)n2Cc2cccs2)CC1 ZINC001348460142 1054709771 /nfs/dbraw/zinc/70/97/71/1054709771.db2.gz GGHGZLPZJOUFMN-KRWDZBQOSA-N 1 2 373.526 2.631 20 30 FFEDLO C=C(C)c1cccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC001337962623 1055130370 /nfs/dbraw/zinc/13/03/70/1055130370.db2.gz QSEASHVNGHNFDO-CRAIPNDOSA-N 1 2 352.438 2.964 20 30 FFEDLO COC(=O)/C=C/c1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)o1 ZINC000848875657 1055283114 /nfs/dbraw/zinc/28/31/14/1055283114.db2.gz CQAFMXXHICYCFC-XTXLJPNXSA-N 1 2 365.433 2.848 20 30 FFEDLO C=C1CCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2Cc2cc(C)on2)CC1 ZINC001349757536 1055450768 /nfs/dbraw/zinc/45/07/68/1055450768.db2.gz GUXAMXJEMNEKPW-KRWDZBQOSA-N 1 2 356.474 2.936 20 30 FFEDLO C=C1CCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2Cc2cc(C)on2)CC1 ZINC001349757536 1055450775 /nfs/dbraw/zinc/45/07/75/1055450775.db2.gz GUXAMXJEMNEKPW-KRWDZBQOSA-N 1 2 356.474 2.936 20 30 FFEDLO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCc2cc(Br)ccc2NC1=O ZINC001356545660 1055570167 /nfs/dbraw/zinc/57/01/67/1055570167.db2.gz ZVXKMZBOCRBJDL-NHYWBVRUSA-N 1 2 361.243 2.736 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)n1C ZINC001338505915 1055576825 /nfs/dbraw/zinc/57/68/25/1055576825.db2.gz OHLAVFORHRDUCL-DLBZAZTESA-N 1 2 360.506 2.507 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc([C@H]2C[N@H+]3CCCC[C@H]3CO2)n1C ZINC001338505915 1055576836 /nfs/dbraw/zinc/57/68/36/1055576836.db2.gz OHLAVFORHRDUCL-DLBZAZTESA-N 1 2 360.506 2.507 20 30 FFEDLO N#Cc1ccc(CCOC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001350049863 1055596582 /nfs/dbraw/zinc/59/65/82/1055596582.db2.gz GIPARIVETWCNDX-HXUWFJFHSA-N 1 2 350.418 2.545 20 30 FFEDLO N#Cc1ccc(CCOC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001350049863 1055596595 /nfs/dbraw/zinc/59/65/95/1055596595.db2.gz GIPARIVETWCNDX-HXUWFJFHSA-N 1 2 350.418 2.545 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001350725510 1055910432 /nfs/dbraw/zinc/91/04/32/1055910432.db2.gz XJSBRKVTCYGUGH-WMZOPIPTSA-N 1 2 356.518 2.925 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CC[C@@H](C)C2(CCCCC2)C1 ZINC001338896064 1055913976 /nfs/dbraw/zinc/91/39/76/1055913976.db2.gz SYDGGJLQKRSCMF-KURKYZTESA-N 1 2 373.545 2.998 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CC[C@@H](C)C2(CCCCC2)C1 ZINC001338896064 1055913980 /nfs/dbraw/zinc/91/39/80/1055913980.db2.gz SYDGGJLQKRSCMF-KURKYZTESA-N 1 2 373.545 2.998 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCO[C@H](CC(F)(F)F)C1 ZINC001338926452 1055940780 /nfs/dbraw/zinc/94/07/80/1055940780.db2.gz CQXYYATWMZFHIA-CQSZACIVSA-N 1 2 373.423 2.608 20 30 FFEDLO C=CCNC(=S)N1CCC(F)(F)[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC001200288420 1056247455 /nfs/dbraw/zinc/24/74/55/1056247455.db2.gz FHOKLMBCVPCIAZ-INIZCTEOSA-N 1 2 352.454 2.680 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H]1CSC ZINC001339502024 1056519526 /nfs/dbraw/zinc/51/95/26/1056519526.db2.gz SVHONUXCXBEDFK-MRXNPFEDSA-N 1 2 362.547 2.723 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001339522818 1056546546 /nfs/dbraw/zinc/54/65/46/1056546546.db2.gz PNILNDQGMYSJAT-QZTJIDSGSA-N 1 2 368.481 2.557 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001339522818 1056546560 /nfs/dbraw/zinc/54/65/60/1056546560.db2.gz PNILNDQGMYSJAT-QZTJIDSGSA-N 1 2 368.481 2.557 20 30 FFEDLO C=C1CCC(C(=O)N2CCCC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000937470052 1056719240 /nfs/dbraw/zinc/71/92/40/1056719240.db2.gz FOUIJMCYIXGBQY-RCCFBDPRSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CCC(C(=O)N2CCCC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000937470052 1056719244 /nfs/dbraw/zinc/71/92/44/1056719244.db2.gz FOUIJMCYIXGBQY-RCCFBDPRSA-N 1 2 370.497 2.757 20 30 FFEDLO CCCCCCCCC(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001513950094 1058694637 /nfs/dbraw/zinc/69/46/37/1058694637.db2.gz QWKPQEMVUVIUSY-QZTJIDSGSA-N 1 2 360.502 2.693 20 30 FFEDLO CCOCc1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001503004881 1058920863 /nfs/dbraw/zinc/92/08/63/1058920863.db2.gz RQXLGQXZXPYPRE-JKSUJKDBSA-N 1 2 371.489 2.636 20 30 FFEDLO C=CCC1(C(=O)N[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001354507707 1059086736 /nfs/dbraw/zinc/08/67/36/1059086736.db2.gz FBYOEUALQQLNBK-ARFHVFGLSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCC1(C(=O)N[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001354507707 1059086758 /nfs/dbraw/zinc/08/67/58/1059086758.db2.gz FBYOEUALQQLNBK-ARFHVFGLSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C(C)Cn1c(N2CCCCCCCC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001515003485 1059212854 /nfs/dbraw/zinc/21/28/54/1059212854.db2.gz MMCGFPBYMGSOBV-YLJYHZDGSA-N 1 2 361.534 2.926 20 30 FFEDLO C=C(C)Cn1c(N2CCCCCCCC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001515003485 1059212873 /nfs/dbraw/zinc/21/28/73/1059212873.db2.gz MMCGFPBYMGSOBV-YLJYHZDGSA-N 1 2 361.534 2.926 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001515030749 1059240291 /nfs/dbraw/zinc/24/02/91/1059240291.db2.gz BQUDAHXBWLNXJL-GOSISDBHSA-N 1 2 359.518 2.703 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCN(c2ccccc2)CC1 ZINC001515295571 1059510662 /nfs/dbraw/zinc/51/06/62/1059510662.db2.gz KAZAOHPOILXLJE-IBGZPJMESA-N 1 2 366.513 2.948 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCN(c2ccccc2)CC1 ZINC001515295571 1059510684 /nfs/dbraw/zinc/51/06/84/1059510684.db2.gz KAZAOHPOILXLJE-IBGZPJMESA-N 1 2 366.513 2.948 20 30 FFEDLO C#CCCOc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(OC)c3)C2)cc1 ZINC001454477830 1059546271 /nfs/dbraw/zinc/54/62/71/1059546271.db2.gz STPWIXPPQVZLFQ-OAQYLSRUSA-N 1 2 364.445 2.884 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(Cc1cnn(C)c1)CC(C)C ZINC001520330493 1059617276 /nfs/dbraw/zinc/61/72/76/1059617276.db2.gz GKTSZYIXNAHLFQ-UHFFFAOYSA-N 1 2 371.533 2.846 20 30 FFEDLO C=C(C)CCC(=O)NCCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001515367002 1059623487 /nfs/dbraw/zinc/62/34/87/1059623487.db2.gz XJTLLDBQKHXTLY-IAGOWNOFSA-N 1 2 360.502 2.832 20 30 FFEDLO C#CCCCn1c([C@@H](C)CC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001507574367 1059642851 /nfs/dbraw/zinc/64/28/51/1059642851.db2.gz NGOCNWSWEJBZSL-INIZCTEOSA-N 1 2 367.501 2.630 20 30 FFEDLO C#CCN(C)c1nnc(-c2ccccc2F)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001507608325 1059654840 /nfs/dbraw/zinc/65/48/40/1059654840.db2.gz MVBXNZRAUKOLMP-UHFFFAOYSA-N 1 2 364.428 2.663 20 30 FFEDLO C#CCN(CC)c1nnc(CC)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001507691661 1059691953 /nfs/dbraw/zinc/69/19/53/1059691953.db2.gz LQALBQLEWLHKER-UHFFFAOYSA-N 1 2 352.486 2.734 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C)cc2)CC1 ZINC001507729971 1059701348 /nfs/dbraw/zinc/70/13/48/1059701348.db2.gz MVTNXSQCCJNGIG-UHFFFAOYSA-N 1 2 365.525 2.979 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1cscn1 ZINC001520504121 1059741989 /nfs/dbraw/zinc/74/19/89/1059741989.db2.gz BQXGIEPULFLTJZ-UHFFFAOYSA-N 1 2 371.514 2.650 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@](C)(C(F)(F)F)C1 ZINC001520595350 1059849966 /nfs/dbraw/zinc/84/99/66/1059849966.db2.gz AAEFZOLDIPHVLX-HNNXBMFYSA-N 1 2 354.380 2.567 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H]1C ZINC001520879110 1060163157 /nfs/dbraw/zinc/16/31/57/1060163157.db2.gz ONNLWYVJKBXMJH-AEFFLSMTSA-N 1 2 368.481 2.647 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001511329516 1060329594 /nfs/dbraw/zinc/32/95/94/1060329594.db2.gz ZNYHMVJWSRDRKW-SZUSHISOSA-N 1 2 370.497 2.755 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001511329516 1060329616 /nfs/dbraw/zinc/32/96/16/1060329616.db2.gz ZNYHMVJWSRDRKW-SZUSHISOSA-N 1 2 370.497 2.755 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@H]1c1cccc(F)c1 ZINC001355919766 1060727950 /nfs/dbraw/zinc/72/79/50/1060727950.db2.gz LGOSWTDAYMLARU-SQNIBIBYSA-N 1 2 371.460 2.682 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@H]1c1cccc(F)c1 ZINC001355919766 1060727961 /nfs/dbraw/zinc/72/79/61/1060727961.db2.gz LGOSWTDAYMLARU-SQNIBIBYSA-N 1 2 371.460 2.682 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC(C(C)C)CC1 ZINC001355969143 1060770494 /nfs/dbraw/zinc/77/04/94/1060770494.db2.gz PIDMGALJEQUSLM-UHFFFAOYSA-N 1 2 361.534 2.541 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCCC2(CCCC2)C1 ZINC001355968572 1060770521 /nfs/dbraw/zinc/77/05/21/1060770521.db2.gz LJXYINXICAZVQY-UHFFFAOYSA-N 1 2 373.545 2.829 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 ZINC001355976610 1060776215 /nfs/dbraw/zinc/77/62/15/1060776215.db2.gz MZFLMNASRAFTHD-SJORKVTESA-N 1 2 372.517 2.820 20 30 FFEDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(Br)cc2C#N)C[C@H]1C ZINC001460786793 1061101872 /nfs/dbraw/zinc/10/18/72/1061101872.db2.gz JJCVMJMJZHZYPT-BXUZGUMPSA-N 1 2 351.244 2.952 20 30 FFEDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)C[C@H]1C ZINC001460786793 1061101877 /nfs/dbraw/zinc/10/18/77/1061101877.db2.gz JJCVMJMJZHZYPT-BXUZGUMPSA-N 1 2 351.244 2.952 20 30 FFEDLO C#Cc1cccc(NC(=O)NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)c1 ZINC001475846774 1061298205 /nfs/dbraw/zinc/29/82/05/1061298205.db2.gz IUYNPEAEUZWZKV-OAQYLSRUSA-N 1 2 363.461 2.999 20 30 FFEDLO C#Cc1cccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)c1 ZINC001475846774 1061298222 /nfs/dbraw/zinc/29/82/22/1061298222.db2.gz IUYNPEAEUZWZKV-OAQYLSRUSA-N 1 2 363.461 2.999 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1 ZINC001522060185 1061534760 /nfs/dbraw/zinc/53/47/60/1061534760.db2.gz OAJVPOMTERPUNX-APWZRJJASA-N 1 2 354.433 2.535 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1 ZINC001522060185 1061534777 /nfs/dbraw/zinc/53/47/77/1061534777.db2.gz OAJVPOMTERPUNX-APWZRJJASA-N 1 2 354.433 2.535 20 30 FFEDLO C=C(C)CN(CC)c1nnc([C@]2(C)C[C@@H](O)C[N@@H+]2C)n1Cc1ccccc1 ZINC001522099720 1061548255 /nfs/dbraw/zinc/54/82/55/1061548255.db2.gz ANXCPNHVKUNMNR-NQIIRXRSSA-N 1 2 369.513 2.640 20 30 FFEDLO C=C(C)CN(CC)c1nnc([C@]2(C)C[C@@H](O)C[N@H+]2C)n1Cc1ccccc1 ZINC001522099720 1061548263 /nfs/dbraw/zinc/54/82/63/1061548263.db2.gz ANXCPNHVKUNMNR-NQIIRXRSSA-N 1 2 369.513 2.640 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)CC1 ZINC000940037371 1061552633 /nfs/dbraw/zinc/55/26/33/1061552633.db2.gz DNVDPRKNLJWUPM-QGPMSJSTSA-N 1 2 370.497 2.539 20 30 FFEDLO Cc1c[nH+]cc(C)c1NC(=O)COc1ccc(C#N)c(Br)c1 ZINC001462728472 1061747040 /nfs/dbraw/zinc/74/70/40/1061747040.db2.gz ACQTXOXKLHZUPC-UHFFFAOYSA-N 1 2 360.211 2.772 20 30 FFEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001522408646 1062136704 /nfs/dbraw/zinc/13/67/04/1062136704.db2.gz MJCKZVORXQUFQB-KKSFZXQISA-N 1 2 366.465 2.659 20 30 FFEDLO Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc(C)c1C#N ZINC001529569336 1062342113 /nfs/dbraw/zinc/34/21/13/1062342113.db2.gz GFVIYCAQFVYLQY-HXUWFJFHSA-N 1 2 363.461 2.806 20 30 FFEDLO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc(C)c1C#N ZINC001529569336 1062342132 /nfs/dbraw/zinc/34/21/32/1062342132.db2.gz GFVIYCAQFVYLQY-HXUWFJFHSA-N 1 2 363.461 2.806 20 30 FFEDLO Cn1c(C#N)ccc1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC001435051127 1062384068 /nfs/dbraw/zinc/38/40/68/1062384068.db2.gz DFTSCOHZXPYKCF-UHFFFAOYSA-N 1 2 373.420 2.786 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001523797086 1062628596 /nfs/dbraw/zinc/62/85/96/1062628596.db2.gz QRELSBBEGDPUHZ-UHFFFAOYSA-N 1 2 350.470 2.958 20 30 FFEDLO COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1Cl ZINC001524045247 1062706270 /nfs/dbraw/zinc/70/62/70/1062706270.db2.gz NIZPCHIKCZKKSV-DZGCQCFKSA-N 1 2 363.845 2.869 20 30 FFEDLO COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H]2CCC[N@H+]2C(C)C)cc1Cl ZINC001524045247 1062706290 /nfs/dbraw/zinc/70/62/90/1062706290.db2.gz NIZPCHIKCZKKSV-DZGCQCFKSA-N 1 2 363.845 2.869 20 30 FFEDLO C=CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cnon2)[C@@H]1CC)c1ccccc1 ZINC001479646642 1062719773 /nfs/dbraw/zinc/71/97/73/1062719773.db2.gz HBQGZRRHUSBOHE-GBESFXJTSA-N 1 2 354.454 2.899 20 30 FFEDLO C=CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cnon2)[C@@H]1CC)c1ccccc1 ZINC001479646642 1062719796 /nfs/dbraw/zinc/71/97/96/1062719796.db2.gz HBQGZRRHUSBOHE-GBESFXJTSA-N 1 2 354.454 2.899 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[C@H]([C@@H]2CCCO2)C1 ZINC001524346935 1062809585 /nfs/dbraw/zinc/80/95/85/1062809585.db2.gz KYOUAUIVWRRZMT-ROUUACIJSA-N 1 2 359.518 2.845 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2nc3c(o2)CCCC3)[C@@H]1C ZINC001479701041 1062829330 /nfs/dbraw/zinc/82/93/30/1062829330.db2.gz RTAVSHNSOOHWSW-OAGGEKHMSA-N 1 2 361.486 2.614 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2nc3c(o2)CCCC3)[C@@H]1C ZINC001479701041 1062829356 /nfs/dbraw/zinc/82/93/56/1062829356.db2.gz RTAVSHNSOOHWSW-OAGGEKHMSA-N 1 2 361.486 2.614 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)COCc2cccc(OC)c2)[C@H]1C ZINC001479711929 1062878019 /nfs/dbraw/zinc/87/80/19/1062878019.db2.gz TZTLDFFQJPOTAW-PBHICJAKSA-N 1 2 352.862 2.543 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)COCc2cccc(OC)c2)[C@H]1C ZINC001479711929 1062878043 /nfs/dbraw/zinc/87/80/43/1062878043.db2.gz TZTLDFFQJPOTAW-PBHICJAKSA-N 1 2 352.862 2.543 20 30 FFEDLO C[NH+](C)[C@@H](C(=O)N1CC(=O)Nc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC001524672531 1062948372 /nfs/dbraw/zinc/94/83/72/1062948372.db2.gz UYNBQSZQHXBUGX-GOSISDBHSA-N 1 2 368.824 2.800 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCCC1 ZINC001524678413 1062950755 /nfs/dbraw/zinc/95/07/55/1062950755.db2.gz LJFLDNGVHMMHRZ-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCCC1 ZINC001524678413 1062950767 /nfs/dbraw/zinc/95/07/67/1062950767.db2.gz LJFLDNGVHMMHRZ-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3C[N@@H+](C(C)C)CCO3)n2CC(C)C)C1 ZINC001524837823 1063016626 /nfs/dbraw/zinc/01/66/26/1063016626.db2.gz PUUWKFUQLTWRJV-RTBURBONSA-N 1 2 373.545 2.956 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3C[N@H+](C(C)C)CCO3)n2CC(C)C)C1 ZINC001524837823 1063016647 /nfs/dbraw/zinc/01/66/47/1063016647.db2.gz PUUWKFUQLTWRJV-RTBURBONSA-N 1 2 373.545 2.956 20 30 FFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(N)=O)cc1-n1cc[nH+]c1 ZINC001533799266 1063410496 /nfs/dbraw/zinc/41/04/96/1063410496.db2.gz PNEFDLBNKMXXJE-CQSZACIVSA-N 1 2 373.416 2.660 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001495372307 1063485828 /nfs/dbraw/zinc/48/58/28/1063485828.db2.gz ZHBYAXDAYGIQEF-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001495372307 1063485838 /nfs/dbraw/zinc/48/58/38/1063485838.db2.gz ZHBYAXDAYGIQEF-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO C=C(C)CC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)/C=C(\C)C2CC2)CC1 ZINC001575050083 1078101333 /nfs/dbraw/zinc/10/13/33/1078101333.db2.gz WJAIFAKZRSAGGM-FOWTUZBSSA-N 1 2 357.502 2.920 20 30 FFEDLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001471348747 1064650736 /nfs/dbraw/zinc/65/07/36/1064650736.db2.gz QXFHQYAMFQYRKC-XCLNPWKQSA-N 1 2 352.482 2.678 20 30 FFEDLO C=CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2c[nH]nn2)C1)c1ccccc1 ZINC001575078114 1078103716 /nfs/dbraw/zinc/10/37/16/1078103716.db2.gz GAKVKCFJYHJCRV-YLJYHZDGSA-N 1 2 367.497 2.883 20 30 FFEDLO C=CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2cn[nH]n2)C1)c1ccccc1 ZINC001575078114 1078103718 /nfs/dbraw/zinc/10/37/18/1078103718.db2.gz GAKVKCFJYHJCRV-YLJYHZDGSA-N 1 2 367.497 2.883 20 30 FFEDLO C[C@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@H+](Cc3cc(C#N)ccn3)C2)O1 ZINC001473748616 1065343847 /nfs/dbraw/zinc/34/38/47/1065343847.db2.gz XTIPYBITBUTOIK-AVRDEDQJSA-N 1 2 362.477 2.819 20 30 FFEDLO C[C@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@@H+](Cc3cc(C#N)ccn3)C2)O1 ZINC001473748616 1065343859 /nfs/dbraw/zinc/34/38/59/1065343859.db2.gz XTIPYBITBUTOIK-AVRDEDQJSA-N 1 2 362.477 2.819 20 30 FFEDLO Cc1csc2nc(C)c(C[NH+]3CCN(c4ccc(C#N)nc4)CC3)n12 ZINC001474697259 1065583080 /nfs/dbraw/zinc/58/30/80/1065583080.db2.gz VICHIKMHUOCAAL-UHFFFAOYSA-N 1 2 352.467 2.602 20 30 FFEDLO CO[C@@H]1C[C@H](c2[nH]c(C)c(C)[nH+]2)N(C(=O)[C@@H]2C[C@@H](C(C)=NO)C2(C)C)C1 ZINC001550387396 1074240752 /nfs/dbraw/zinc/24/07/52/1074240752.db2.gz DNQXIPYVTXPZJN-FXUDXRNXSA-N 1 2 362.474 2.827 20 30 FFEDLO C#CCNC(=O)CN1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001559866329 1076197115 /nfs/dbraw/zinc/19/71/15/1076197115.db2.gz POGXZOPGKVVBIJ-LJQANCHMSA-N 1 2 361.917 2.622 20 30 FFEDLO C#CCNC(=O)CN1CC[N@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001559866329 1076197117 /nfs/dbraw/zinc/19/71/17/1076197117.db2.gz POGXZOPGKVVBIJ-LJQANCHMSA-N 1 2 361.917 2.622 20 30 FFEDLO COc1ccc([C@@H]2COCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001560095816 1076226288 /nfs/dbraw/zinc/22/62/88/1076226288.db2.gz ZRQNZVOQXQVUPX-FQEVSTJZSA-N 1 2 365.433 2.969 20 30 FFEDLO COc1ccc([C@@H]2COCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001560095816 1076226290 /nfs/dbraw/zinc/22/62/90/1076226290.db2.gz ZRQNZVOQXQVUPX-FQEVSTJZSA-N 1 2 365.433 2.969 20 30 FFEDLO C#CC[C@@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C(=O)OC ZINC001560879820 1076306145 /nfs/dbraw/zinc/30/61/45/1076306145.db2.gz NBXXLHSHZASTJT-NPYXIHBLSA-N 1 2 364.486 2.709 20 30 FFEDLO CNc1cc(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc[nH+]1 ZINC001563582216 1076567009 /nfs/dbraw/zinc/56/70/09/1076567009.db2.gz JKMHWMKARVDKQM-UHFFFAOYSA-N 1 2 362.355 2.993 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC001564429068 1076632007 /nfs/dbraw/zinc/63/20/07/1076632007.db2.gz NIKIXQWVYFREOW-UYAOXDASSA-N 1 2 358.530 2.847 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC001564429068 1076632009 /nfs/dbraw/zinc/63/20/09/1076632009.db2.gz NIKIXQWVYFREOW-UYAOXDASSA-N 1 2 358.530 2.847 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCC[C@](C)(C#N)C3)C2)c1 ZINC001565225589 1076699796 /nfs/dbraw/zinc/69/97/96/1076699796.db2.gz XXVAXSDWEKEYSM-TZIWHRDSSA-N 1 2 370.497 2.531 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCC[C@](C)(C#N)C3)C2)c1 ZINC001565225589 1076699797 /nfs/dbraw/zinc/69/97/97/1076699797.db2.gz XXVAXSDWEKEYSM-TZIWHRDSSA-N 1 2 370.497 2.531 20 30 FFEDLO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)nn2C)[C@@H]1CC ZINC001566008937 1076842524 /nfs/dbraw/zinc/84/25/24/1076842524.db2.gz TWRDTMLHCZPAMN-UONOGXRCSA-N 1 2 358.408 2.874 20 30 FFEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)nn2C)[C@@H]1CC ZINC001566008937 1076842529 /nfs/dbraw/zinc/84/25/29/1076842529.db2.gz TWRDTMLHCZPAMN-UONOGXRCSA-N 1 2 358.408 2.874 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)c1 ZINC001568489607 1077097483 /nfs/dbraw/zinc/09/74/83/1077097483.db2.gz KGKCZUTUOQRHQN-RTBURBONSA-N 1 2 369.509 2.679 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)c1 ZINC001568489607 1077097489 /nfs/dbraw/zinc/09/74/89/1077097489.db2.gz KGKCZUTUOQRHQN-RTBURBONSA-N 1 2 369.509 2.679 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1csc(Cl)n1 ZINC001568933119 1077120014 /nfs/dbraw/zinc/12/00/14/1077120014.db2.gz DMDNODJYICWHKT-NVFZZLLCSA-N 1 2 355.891 2.540 20 30 FFEDLO C=CCC1(C(=O)N(C)C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CCC1 ZINC001572164883 1077306305 /nfs/dbraw/zinc/30/63/05/1077306305.db2.gz RXUAZBGCRWIFCZ-IAGOWNOFSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCC1(C(=O)N(C)C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CCC1 ZINC001572164883 1077306312 /nfs/dbraw/zinc/30/63/12/1077306312.db2.gz RXUAZBGCRWIFCZ-IAGOWNOFSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001572166712 1077306449 /nfs/dbraw/zinc/30/64/49/1077306449.db2.gz CDIDAMYXJJDFNJ-USXIJHARSA-N 1 2 358.486 2.565 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001572166712 1077306451 /nfs/dbraw/zinc/30/64/51/1077306451.db2.gz CDIDAMYXJJDFNJ-USXIJHARSA-N 1 2 358.486 2.565 20 30 FFEDLO C#CCCCC(=O)N1CC[C@@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@@H]2C1 ZINC001573379965 1077687806 /nfs/dbraw/zinc/68/78/06/1077687806.db2.gz DLXHBGCLKGXGHU-MOPGFXCFSA-N 1 2 367.493 2.731 20 30 FFEDLO C=CCC(CC=C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001574245945 1077938430 /nfs/dbraw/zinc/93/84/30/1077938430.db2.gz COYKLUJSGLDUIX-YSHGAJCASA-N 1 2 370.497 2.851 20 30 FFEDLO Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC001586554227 1079648822 /nfs/dbraw/zinc/64/88/22/1079648822.db2.gz QPGMMYQNLWQXPY-UHFFFAOYSA-N 1 2 363.421 2.736 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2Cc2cccc(OC)c2)CC1 ZINC001588741890 1080177578 /nfs/dbraw/zinc/17/75/78/1080177578.db2.gz JXKSCGCQJUTVTF-QGZVFWFLSA-N 1 2 367.497 2.604 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2C[C@H](C)Oc2ccccc2)CC1 ZINC001588743312 1080178798 /nfs/dbraw/zinc/17/87/98/1080178798.db2.gz ZHXYBQQPJXVLCY-SFHVURJKSA-N 1 2 367.497 2.624 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2CCc2cccs2)CC1 ZINC001588812924 1080205511 /nfs/dbraw/zinc/20/55/11/1080205511.db2.gz VDBCHDPFSBIVMI-UHFFFAOYSA-N 1 2 369.538 2.995 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1cc(Br)ccc1F ZINC000122838136 206116144 /nfs/dbraw/zinc/11/61/44/206116144.db2.gz OUSOYZPPYAOBCX-LLVKDONJSA-N 1 2 356.239 2.781 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1cc(Br)ccc1F ZINC000122838136 206116150 /nfs/dbraw/zinc/11/61/50/206116150.db2.gz OUSOYZPPYAOBCX-LLVKDONJSA-N 1 2 356.239 2.781 20 30 FFEDLO N#Cc1ccc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000014673084 249320069 /nfs/dbraw/zinc/32/00/69/249320069.db2.gz RUZZVPYSQPJXRT-SFHVURJKSA-N 1 2 352.394 2.952 20 30 FFEDLO N#Cc1ccc2ncc(C[N@H+]3CCc4c(cccc4N4CCOC4=O)C3)n2c1 ZINC000093740581 250045972 /nfs/dbraw/zinc/04/59/72/250045972.db2.gz GWUQZWQAXLRXAZ-UHFFFAOYSA-N 1 2 373.416 2.721 20 30 FFEDLO N#Cc1ccc2ncc(C[N@@H+]3CCc4c(cccc4N4CCOC4=O)C3)n2c1 ZINC000093740581 250045979 /nfs/dbraw/zinc/04/59/79/250045979.db2.gz GWUQZWQAXLRXAZ-UHFFFAOYSA-N 1 2 373.416 2.721 20 30 FFEDLO CC(C)N(C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1)C1CCCC1 ZINC000101554328 250076519 /nfs/dbraw/zinc/07/65/19/250076519.db2.gz OWGUOEPUBXCLCK-UHFFFAOYSA-N 1 2 354.498 2.860 20 30 FFEDLO N#Cc1cccc(OCCCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000264621432 251326536 /nfs/dbraw/zinc/32/65/36/251326536.db2.gz GXXFCUIMGOGQMW-UHFFFAOYSA-N 1 2 364.449 2.851 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000276580696 256112259 /nfs/dbraw/zinc/11/22/59/256112259.db2.gz JKSZNNJNRGPRDM-GOSISDBHSA-N 1 2 356.426 2.962 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@@H]3CC4(CCC4)C(=O)O3)CC2)c(Cl)c1 ZINC000277634432 256220012 /nfs/dbraw/zinc/22/00/12/256220012.db2.gz BNYORBDCSPVBLK-HNNXBMFYSA-N 1 2 359.857 2.819 20 30 FFEDLO CC(C)(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc(F)cc(C#N)c1 ZINC000285780612 257004428 /nfs/dbraw/zinc/00/44/28/257004428.db2.gz OAHFVMZJWFRXPI-QGZVFWFLSA-N 1 2 352.413 2.765 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277755588 256235281 /nfs/dbraw/zinc/23/52/81/256235281.db2.gz LYGJYXWLOHOTFE-OSAQELSMSA-N 1 2 355.360 2.520 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277755588 256235282 /nfs/dbraw/zinc/23/52/82/256235282.db2.gz LYGJYXWLOHOTFE-OSAQELSMSA-N 1 2 355.360 2.520 20 30 FFEDLO N#Cc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)ccc1F ZINC000278720338 256341278 /nfs/dbraw/zinc/34/12/78/256341278.db2.gz UJZYWAWQAPLCIY-IBGZPJMESA-N 1 2 353.397 2.501 20 30 FFEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3nc(C)cc(C#N)n3)CC2)cs1 ZINC000287791631 257113226 /nfs/dbraw/zinc/11/32/26/257113226.db2.gz JFGGHVVBMTXPTD-CQSZACIVSA-N 1 2 372.498 2.533 20 30 FFEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3nc(C)cc(C#N)n3)CC2)cs1 ZINC000287791631 257113228 /nfs/dbraw/zinc/11/32/28/257113228.db2.gz JFGGHVVBMTXPTD-CQSZACIVSA-N 1 2 372.498 2.533 20 30 FFEDLO COc1ccncc1C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000287469033 257091002 /nfs/dbraw/zinc/09/10/02/257091002.db2.gz WIZFDNLDVQCQOZ-UHFFFAOYSA-N 1 2 359.433 2.832 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2c2ccc(F)cc2)nc1 ZINC000290385659 257329486 /nfs/dbraw/zinc/32/94/86/257329486.db2.gz RZCFKVJJDLMNID-KRWDZBQOSA-N 1 2 359.426 2.703 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2c2ccc(F)cc2)nc1 ZINC000290385659 257329487 /nfs/dbraw/zinc/32/94/87/257329487.db2.gz RZCFKVJJDLMNID-KRWDZBQOSA-N 1 2 359.426 2.703 20 30 FFEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cc(Cl)ccc3C#N)CC2)C1 ZINC000301204660 258033831 /nfs/dbraw/zinc/03/38/31/258033831.db2.gz PEEXLARDKVTMJL-IYBDPMFKSA-N 1 2 374.916 2.838 20 30 FFEDLO N#Cc1ccc(C(F)(F)F)nc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000301279651 258039699 /nfs/dbraw/zinc/03/96/99/258039699.db2.gz JSIRCOJNEXAUGN-OAHLLOKOSA-N 1 2 372.416 2.592 20 30 FFEDLO CC(=O)c1ccc(C#N)cc1NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000302047241 258084423 /nfs/dbraw/zinc/08/44/23/258084423.db2.gz LOVMOWLTZAEZKS-CQSZACIVSA-N 1 2 350.422 2.993 20 30 FFEDLO C[C@H]1CN(c2ccc(CNc3nc4ccccn4c3C#N)c[nH+]2)C[C@H](C)O1 ZINC000302095918 258087890 /nfs/dbraw/zinc/08/78/90/258087890.db2.gz NZGBBWMODGCEPD-GJZGRUSLSA-N 1 2 362.437 2.827 20 30 FFEDLO Cc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)nc1C#N ZINC000302673116 258107840 /nfs/dbraw/zinc/10/78/40/258107840.db2.gz SJOXVIZTWARVGE-HNNXBMFYSA-N 1 2 367.428 2.550 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccccc3)CC2)s1 ZINC000323950861 258115994 /nfs/dbraw/zinc/11/59/94/258115994.db2.gz WXMWLPQPCGIZPI-UHFFFAOYSA-N 1 2 361.492 2.516 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)s1 ZINC000323950861 258115995 /nfs/dbraw/zinc/11/59/95/258115995.db2.gz WXMWLPQPCGIZPI-UHFFFAOYSA-N 1 2 361.492 2.516 20 30 FFEDLO N#Cc1ccc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000301615584 258058789 /nfs/dbraw/zinc/05/87/89/258058789.db2.gz BMUNHZMFFJDBQN-UXHICEINSA-N 1 2 364.405 2.556 20 30 FFEDLO N#Cc1ccc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000301615584 258058790 /nfs/dbraw/zinc/05/87/90/258058790.db2.gz BMUNHZMFFJDBQN-UXHICEINSA-N 1 2 364.405 2.556 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000330681059 258168238 /nfs/dbraw/zinc/16/82/38/258168238.db2.gz FZXFYBIAECXQNN-UHFFFAOYSA-N 1 2 373.497 2.915 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000330681059 258168239 /nfs/dbraw/zinc/16/82/39/258168239.db2.gz FZXFYBIAECXQNN-UHFFFAOYSA-N 1 2 373.497 2.915 20 30 FFEDLO CC[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000332514213 258233092 /nfs/dbraw/zinc/23/30/92/258233092.db2.gz LMOVGERKFIKHBL-KRWDZBQOSA-N 1 2 358.461 2.610 20 30 FFEDLO Cc1cc(C)c(NC(=O)N2CCN(c3ncccc3C#N)CC2)c(C)[nH+]1 ZINC000332520002 258233441 /nfs/dbraw/zinc/23/34/41/258233441.db2.gz OXZUUGZFQHCOCO-UHFFFAOYSA-N 1 2 350.426 2.628 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2cccc(Br)c2C1 ZINC000118411435 508648902 /nfs/dbraw/zinc/64/89/02/508648902.db2.gz NQHGIZYFMASQAD-ZDUSSCGKSA-N 1 2 364.287 2.815 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2cccc(Br)c2C1 ZINC000118411435 508648906 /nfs/dbraw/zinc/64/89/06/508648906.db2.gz NQHGIZYFMASQAD-ZDUSSCGKSA-N 1 2 364.287 2.815 20 30 FFEDLO COc1ccc([C@@H](NC(=O)c2ccc(C#N)c(C)n2)c2[nH+]ccn2C)cc1 ZINC000032301604 506239832 /nfs/dbraw/zinc/23/98/32/506239832.db2.gz RCNJKRXUCDDKEX-GOSISDBHSA-N 1 2 361.405 2.523 20 30 FFEDLO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801336 506252009 /nfs/dbraw/zinc/25/20/09/506252009.db2.gz QOBLTCNVRLTGJT-AWEZNQCLSA-N 1 2 355.467 2.554 20 30 FFEDLO C[C@@H](C(=O)Nc1nccs1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801336 506252018 /nfs/dbraw/zinc/25/20/18/506252018.db2.gz QOBLTCNVRLTGJT-AWEZNQCLSA-N 1 2 355.467 2.554 20 30 FFEDLO COc1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc2c1OCO2 ZINC000377247446 512184516 /nfs/dbraw/zinc/18/45/16/512184516.db2.gz ASHUJNDLGVZVQA-IBGZPJMESA-N 1 2 352.390 2.869 20 30 FFEDLO COc1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc2c1OCO2 ZINC000377247446 512184519 /nfs/dbraw/zinc/18/45/19/512184519.db2.gz ASHUJNDLGVZVQA-IBGZPJMESA-N 1 2 352.390 2.869 20 30 FFEDLO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc(F)cc1 ZINC000065949539 506400445 /nfs/dbraw/zinc/40/04/45/506400445.db2.gz PJBUWEZAQYBUDM-UHFFFAOYSA-N 1 2 363.396 2.954 20 30 FFEDLO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc(F)cc1 ZINC000065949539 506400450 /nfs/dbraw/zinc/40/04/50/506400450.db2.gz PJBUWEZAQYBUDM-UHFFFAOYSA-N 1 2 363.396 2.954 20 30 FFEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000066469009 506528269 /nfs/dbraw/zinc/52/82/69/506528269.db2.gz YHHCXJJCHISGHB-JQWIXIFHSA-N 1 2 361.667 2.934 20 30 FFEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000066469009 506528276 /nfs/dbraw/zinc/52/82/76/506528276.db2.gz YHHCXJJCHISGHB-JQWIXIFHSA-N 1 2 361.667 2.934 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000041623205 506537297 /nfs/dbraw/zinc/53/72/97/506537297.db2.gz GOIWZRISRNGJRP-HNNXBMFYSA-N 1 2 356.470 2.608 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000041623205 506537303 /nfs/dbraw/zinc/53/73/03/506537303.db2.gz GOIWZRISRNGJRP-HNNXBMFYSA-N 1 2 356.470 2.608 20 30 FFEDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000067130968 506764931 /nfs/dbraw/zinc/76/49/31/506764931.db2.gz QYVFTQZWEGZXRO-UHFFFAOYSA-N 1 2 364.405 2.733 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)Nc3cccc(C#N)c3)c[nH+]2)CCO1 ZINC000045959695 507052470 /nfs/dbraw/zinc/05/24/70/507052470.db2.gz LNGUHYQEHLVVMS-AWEZNQCLSA-N 1 2 351.410 2.500 20 30 FFEDLO N#Cc1ccccc1OCC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000015698456 507056276 /nfs/dbraw/zinc/05/62/76/507056276.db2.gz DLRNRYCMVBBFEB-UHFFFAOYSA-N 1 2 369.852 2.935 20 30 FFEDLO COc1cc(OC)cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000015742275 507057773 /nfs/dbraw/zinc/05/77/73/507057773.db2.gz ALAYLDIBHNDKRO-UHFFFAOYSA-N 1 2 365.433 2.533 20 30 FFEDLO N#Cc1cc(Cl)ccc1N1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000068428720 507227360 /nfs/dbraw/zinc/22/73/60/507227360.db2.gz APEKOSUZOCRZIZ-UHFFFAOYSA-N 1 2 368.868 2.650 20 30 FFEDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)C3(C#N)CCCCC3)CC2)c1 ZINC000057382850 507252525 /nfs/dbraw/zinc/25/25/25/507252525.db2.gz LOIXPCZJYBBCII-UHFFFAOYSA-N 1 2 371.481 2.822 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000068570665 507276082 /nfs/dbraw/zinc/27/60/82/507276082.db2.gz BPOQCYNDJYGWJW-UHFFFAOYSA-N 1 2 364.453 2.619 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000057754841 507322688 /nfs/dbraw/zinc/32/26/88/507322688.db2.gz ZKZSSIMXVYIUKM-GFCCVEGCSA-N 1 2 366.343 2.743 20 30 FFEDLO N#CC1(NC(=O)CN2CC[NH+](Cc3cccc(Cl)c3)CC2)CCCCC1 ZINC000025751068 507529574 /nfs/dbraw/zinc/52/95/74/507529574.db2.gz JBQFOLSZEBWEBE-UHFFFAOYSA-N 1 2 374.916 2.800 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1 ZINC000027776500 507684456 /nfs/dbraw/zinc/68/44/56/507684456.db2.gz WBDFOKRNMUUXDQ-UHFFFAOYSA-N 1 2 369.377 2.950 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1 ZINC000027776500 507684459 /nfs/dbraw/zinc/68/44/59/507684459.db2.gz WBDFOKRNMUUXDQ-UHFFFAOYSA-N 1 2 369.377 2.950 20 30 FFEDLO C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029856926 507793215 /nfs/dbraw/zinc/79/32/15/507793215.db2.gz QQNLQMSZXBAOAW-MRXNPFEDSA-N 1 2 372.488 2.904 20 30 FFEDLO CC(C)N(C(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1)C(C)C ZINC000029858527 507793852 /nfs/dbraw/zinc/79/38/52/507793852.db2.gz HGNQZLYGXSJOHJ-MRXNPFEDSA-N 1 2 360.477 2.853 20 30 FFEDLO Cc1nnc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)c(C#N)c1C ZINC000052219234 507802619 /nfs/dbraw/zinc/80/26/19/507802619.db2.gz LGAGAQBWEXGLDX-STQMWFEESA-N 1 2 352.442 2.586 20 30 FFEDLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000072630942 507834276 /nfs/dbraw/zinc/83/42/76/507834276.db2.gz JXHLRZUABCRLFM-CYBMUJFWSA-N 1 2 371.441 2.953 20 30 FFEDLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000072630942 507834279 /nfs/dbraw/zinc/83/42/79/507834279.db2.gz JXHLRZUABCRLFM-CYBMUJFWSA-N 1 2 371.441 2.953 20 30 FFEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000072691196 507842975 /nfs/dbraw/zinc/84/29/75/507842975.db2.gz VVYCBPIRKATPTB-IBGZPJMESA-N 1 2 361.461 2.987 20 30 FFEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000072691196 507842977 /nfs/dbraw/zinc/84/29/77/507842977.db2.gz VVYCBPIRKATPTB-IBGZPJMESA-N 1 2 361.461 2.987 20 30 FFEDLO COC(=O)c1cccc(C#Cc2cccc(NC(=O)Cn3cc[nH+]c3)c2)c1 ZINC000072858760 507865416 /nfs/dbraw/zinc/86/54/16/507865416.db2.gz MKTDRAZXYWUKEB-UHFFFAOYSA-N 1 2 359.385 2.708 20 30 FFEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)Nc2ccc(C)c(F)c2)cs1 ZINC000072920048 507873669 /nfs/dbraw/zinc/87/36/69/507873669.db2.gz QMQUFELGLBNDIU-SNVBAGLBSA-N 1 2 350.419 2.758 20 30 FFEDLO CCOc1ccccc1NC(=O)[C@@H](C)O[NH+]=C(N)Cc1csc(C)n1 ZINC000072920151 507873685 /nfs/dbraw/zinc/87/36/85/507873685.db2.gz LUICTJKNHSYRSB-LLVKDONJSA-N 1 2 362.455 2.709 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCCSCC2)c1C#N ZINC000089981986 507895778 /nfs/dbraw/zinc/89/57/78/507895778.db2.gz ZNDYIBZLNJXTJZ-UHFFFAOYSA-N 1 2 372.494 2.995 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCCSCC2)c1C#N ZINC000089981986 507895781 /nfs/dbraw/zinc/89/57/81/507895781.db2.gz ZNDYIBZLNJXTJZ-UHFFFAOYSA-N 1 2 372.494 2.995 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000079726024 507995768 /nfs/dbraw/zinc/99/57/68/507995768.db2.gz NCXFRIWINQXCAP-UHFFFAOYSA-N 1 2 368.437 2.850 20 30 FFEDLO C=CC1CCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CC1 ZINC000110366594 508024650 /nfs/dbraw/zinc/02/46/50/508024650.db2.gz UZBLKUJFXQXKFV-UHFFFAOYSA-N 1 2 352.438 2.950 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cn(C)nc2-c2ccncc2)c1 ZINC000092143749 508045972 /nfs/dbraw/zinc/04/59/72/508045972.db2.gz GRGXHBIHMYSUAH-UHFFFAOYSA-N 1 2 359.433 2.534 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cn(C)nc2-c2ccncc2)c1 ZINC000092143749 508045975 /nfs/dbraw/zinc/04/59/75/508045975.db2.gz GRGXHBIHMYSUAH-UHFFFAOYSA-N 1 2 359.433 2.534 20 30 FFEDLO N#Cc1cccc(OC2CC[NH+]([C@@H]3CCN(CC(F)(F)F)C3=O)CC2)c1 ZINC000111226385 508079133 /nfs/dbraw/zinc/07/91/33/508079133.db2.gz CYVIUEVCNCIWLR-MRXNPFEDSA-N 1 2 367.371 2.565 20 30 FFEDLO COc1cccc(CC(=O)N2CC[NH+](Cc3cc(C#N)cs3)CC2)c1 ZINC000092536383 508079918 /nfs/dbraw/zinc/07/99/18/508079918.db2.gz JHUIOVBXRYSWBZ-UHFFFAOYSA-N 1 2 355.463 2.515 20 30 FFEDLO C=CC1CC[NH+](CC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)CC1 ZINC000111260275 508083339 /nfs/dbraw/zinc/08/33/39/508083339.db2.gz JUZYPWQLMIKMGF-KRWDZBQOSA-N 1 2 364.511 2.545 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000080907925 508110650 /nfs/dbraw/zinc/11/06/50/508110650.db2.gz PALWCRTVKJPHHX-NRFANRHFSA-N 1 2 366.509 2.802 20 30 FFEDLO COc1cc(C[NH+]2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000081008506 508124045 /nfs/dbraw/zinc/12/40/45/508124045.db2.gz ANFHLVIBVVIRHN-UHFFFAOYSA-N 1 2 365.433 2.533 20 30 FFEDLO COc1ccccc1C[N@H+](CCO)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075713347 508130002 /nfs/dbraw/zinc/13/00/02/508130002.db2.gz GWHOTBMIEQHVRE-UHFFFAOYSA-N 1 2 364.405 2.611 20 30 FFEDLO COc1ccccc1C[N@@H+](CCO)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075713347 508130006 /nfs/dbraw/zinc/13/00/06/508130006.db2.gz GWHOTBMIEQHVRE-UHFFFAOYSA-N 1 2 364.405 2.611 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(Br)cs1 ZINC000081158161 508142456 /nfs/dbraw/zinc/14/24/56/508142456.db2.gz KXXWSYBWYBLVOJ-UHFFFAOYSA-N 1 2 358.305 2.558 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000112220533 508162010 /nfs/dbraw/zinc/16/20/10/508162010.db2.gz CSKUKTUAZNRIDW-UHFFFAOYSA-N 1 2 367.453 2.801 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1[N+](=O)[O-] ZINC000101554380 508245452 /nfs/dbraw/zinc/24/54/52/508245452.db2.gz URJOBCHDULMYFX-UHFFFAOYSA-N 1 2 352.394 2.797 20 30 FFEDLO C=CCCC[N@@H+](C)CC(=O)c1cc(C)n([C@H]2CCS(=O)(=O)C2)c1C ZINC000076735429 508249513 /nfs/dbraw/zinc/24/95/13/508249513.db2.gz LAAFGNVQCCAAKG-INIZCTEOSA-N 1 2 352.500 2.545 20 30 FFEDLO C=CCCC[N@H+](C)CC(=O)c1cc(C)n([C@H]2CCS(=O)(=O)C2)c1C ZINC000076735429 508249516 /nfs/dbraw/zinc/24/95/16/508249516.db2.gz LAAFGNVQCCAAKG-INIZCTEOSA-N 1 2 352.500 2.545 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(SC(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000084075418 508264912 /nfs/dbraw/zinc/26/49/12/508264912.db2.gz BHWFGUNVMYBLCH-HNNXBMFYSA-N 1 2 368.524 2.635 20 30 FFEDLO C=CC[N@H+](Cc1ccc(SC(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000084075418 508264915 /nfs/dbraw/zinc/26/49/15/508264915.db2.gz BHWFGUNVMYBLCH-HNNXBMFYSA-N 1 2 368.524 2.635 20 30 FFEDLO C[C@@H](C#N)CN(C)C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000076963101 508268296 /nfs/dbraw/zinc/26/82/96/508268296.db2.gz PUCSJLACKPXSGQ-AWEZNQCLSA-N 1 2 352.438 2.775 20 30 FFEDLO Cn1nc(C(C)(C)C)cc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000077537368 508329721 /nfs/dbraw/zinc/32/97/21/508329721.db2.gz VGZJNWNYQZQKHF-UHFFFAOYSA-N 1 2 365.481 2.547 20 30 FFEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000104667823 508341107 /nfs/dbraw/zinc/34/11/07/508341107.db2.gz JOXSWPYPQOHMLU-MRXNPFEDSA-N 1 2 358.239 2.979 20 30 FFEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000104667823 508341108 /nfs/dbraw/zinc/34/11/08/508341108.db2.gz JOXSWPYPQOHMLU-MRXNPFEDSA-N 1 2 358.239 2.979 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccccc1C(F)(F)F ZINC000115171011 508373592 /nfs/dbraw/zinc/37/35/92/508373592.db2.gz XVPIULDDIMJZRU-UHFFFAOYSA-N 1 2 370.375 2.785 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000115530931 508406050 /nfs/dbraw/zinc/40/60/50/508406050.db2.gz BPOMTHFVERMEGJ-GOSISDBHSA-N 1 2 354.841 2.560 20 30 FFEDLO COc1cccc(NC2CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1 ZINC000115544324 508406683 /nfs/dbraw/zinc/40/66/83/508406683.db2.gz FZGHQTKILUZKJO-FQEVSTJZSA-N 1 2 364.449 2.670 20 30 FFEDLO COc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1Br ZINC000115599108 508416260 /nfs/dbraw/zinc/41/62/60/508416260.db2.gz NVBCTAFXKGZDGZ-INIZCTEOSA-N 1 2 374.238 2.646 20 30 FFEDLO C=CC[C@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000156541680 508435940 /nfs/dbraw/zinc/43/59/40/508435940.db2.gz PYCSYBFOHPWFTF-RRQGHBQHSA-N 1 2 351.878 2.976 20 30 FFEDLO C=CC[C@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000156541680 508435944 /nfs/dbraw/zinc/43/59/44/508435944.db2.gz PYCSYBFOHPWFTF-RRQGHBQHSA-N 1 2 351.878 2.976 20 30 FFEDLO N#CC[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CCCC1 ZINC000156642049 508454768 /nfs/dbraw/zinc/45/47/68/508454768.db2.gz QPCBTGXYIKZOEJ-UHFFFAOYSA-N 1 2 358.461 2.633 20 30 FFEDLO N#CC[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CCCC1 ZINC000156642049 508454770 /nfs/dbraw/zinc/45/47/70/508454770.db2.gz QPCBTGXYIKZOEJ-UHFFFAOYSA-N 1 2 358.461 2.633 20 30 FFEDLO COc1cc2c(c(C[NH+]3CCN(c4ncccc4C#N)CC3)c1)O[C@H](C)C2 ZINC000122904285 508604638 /nfs/dbraw/zinc/60/46/38/508604638.db2.gz UVUQDCVLUVSQGR-OAHLLOKOSA-N 1 2 364.449 2.607 20 30 FFEDLO N#CC1(NC(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000122953280 508613560 /nfs/dbraw/zinc/61/35/60/508613560.db2.gz HHJLLJFHCXZCEK-UHFFFAOYSA-N 1 2 360.889 2.805 20 30 FFEDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000135590616 508628322 /nfs/dbraw/zinc/62/83/22/508628322.db2.gz PMERZNMDIRQPFX-SFHVURJKSA-N 1 2 351.454 2.676 20 30 FFEDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000135590616 508628324 /nfs/dbraw/zinc/62/83/24/508628324.db2.gz PMERZNMDIRQPFX-SFHVURJKSA-N 1 2 351.454 2.676 20 30 FFEDLO C=C(C)COc1cc(C[NH+]2CCN(c3cnccn3)CC2)ccc1OC ZINC000157955667 508638104 /nfs/dbraw/zinc/63/81/04/508638104.db2.gz FQRKHWOVVFSRNE-UHFFFAOYSA-N 1 2 354.454 2.762 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2cccc(Br)c2C1 ZINC000118410934 508648949 /nfs/dbraw/zinc/64/89/49/508648949.db2.gz WUKZDYACRNJCNY-GFCCVEGCSA-N 1 2 350.260 2.568 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCc2cccc(Br)c2C1 ZINC000118410934 508648952 /nfs/dbraw/zinc/64/89/52/508648952.db2.gz WUKZDYACRNJCNY-GFCCVEGCSA-N 1 2 350.260 2.568 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000128861090 508652244 /nfs/dbraw/zinc/65/22/44/508652244.db2.gz RMKMLMJYQDZGIM-YJBOKZPZSA-N 1 2 367.453 2.914 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158172173 508666617 /nfs/dbraw/zinc/66/66/17/508666617.db2.gz VMVPPNJVONEBNB-KRWDZBQOSA-N 1 2 372.296 2.842 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158172173 508666620 /nfs/dbraw/zinc/66/66/20/508666620.db2.gz VMVPPNJVONEBNB-KRWDZBQOSA-N 1 2 372.296 2.842 20 30 FFEDLO C=CCCCCCN(C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000123384861 508678793 /nfs/dbraw/zinc/67/87/93/508678793.db2.gz WFGDJPZYSLNNTA-UHFFFAOYSA-N 1 2 373.497 2.662 20 30 FFEDLO NC(=[NH+]OCc1nc(C2CC2)no1)c1ccc(OCc2cccnc2)cc1 ZINC000123424408 508684784 /nfs/dbraw/zinc/68/47/84/508684784.db2.gz MIDGSSJTPAWWHR-UHFFFAOYSA-N 1 2 365.393 2.758 20 30 FFEDLO C[N@H+](Cc1nc2ccccc2o1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000154003519 508696174 /nfs/dbraw/zinc/69/61/74/508696174.db2.gz HHENBFARNGVTDD-CQSZACIVSA-N 1 2 352.419 2.998 20 30 FFEDLO C[N@@H+](Cc1nc2ccccc2o1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000154003519 508696176 /nfs/dbraw/zinc/69/61/76/508696176.db2.gz HHENBFARNGVTDD-CQSZACIVSA-N 1 2 352.419 2.998 20 30 FFEDLO C=C[C@H](CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000158855141 508760757 /nfs/dbraw/zinc/76/07/57/508760757.db2.gz PGPGWBXUKHRLII-YLJYHZDGSA-N 1 2 360.523 2.670 20 30 FFEDLO N#Cc1ccc2ncc(C[NH+]3CCN(c4ccc(Cl)cn4)CC3)n2c1 ZINC000130285946 508809728 /nfs/dbraw/zinc/80/97/28/508809728.db2.gz RLOCCOOTYRVLIB-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO Cc1ccc(C)c(S(=O)(=O)N2CC[NH+](CC(C)(C)CCC#N)CC2)c1 ZINC000159264008 508815950 /nfs/dbraw/zinc/81/59/50/508815950.db2.gz LOBFQVDMILPXFT-UHFFFAOYSA-N 1 2 363.527 2.940 20 30 FFEDLO C[C@@H]1CC(=O)CC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000159328213 508825414 /nfs/dbraw/zinc/82/54/14/508825414.db2.gz NFHQVEIMEBVMTB-OXQOHEQNSA-N 1 2 353.466 2.598 20 30 FFEDLO C[C@@H]1CC(=O)CC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000159328213 508825420 /nfs/dbraw/zinc/82/54/20/508825420.db2.gz NFHQVEIMEBVMTB-OXQOHEQNSA-N 1 2 353.466 2.598 20 30 FFEDLO COc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)cc1OCCCC#N ZINC000130800486 508848543 /nfs/dbraw/zinc/84/85/43/508848543.db2.gz SAAZHKNOUJYQIM-LJQANCHMSA-N 1 2 371.412 2.833 20 30 FFEDLO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000130849797 508855859 /nfs/dbraw/zinc/85/58/59/508855859.db2.gz RDEFDWSIBIWUAE-OAHLLOKOSA-N 1 2 365.481 2.532 20 30 FFEDLO C=CCn1c(SCCn2cc[nH+]c2)nnc1[C@@H]1COc2ccccc2O1 ZINC000159554103 508858389 /nfs/dbraw/zinc/85/83/89/508858389.db2.gz UFKRSYPJRMQBOF-INIZCTEOSA-N 1 2 369.450 2.965 20 30 FFEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000124841335 508892470 /nfs/dbraw/zinc/89/24/70/508892470.db2.gz ARIZZCJEHYVFTA-UHFFFAOYSA-N 1 2 368.403 2.590 20 30 FFEDLO C#CCCCCNC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000154982761 508897348 /nfs/dbraw/zinc/89/73/48/508897348.db2.gz SNUYZNRXRCNOCX-UHFFFAOYSA-N 1 2 373.888 2.618 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000120146640 508937970 /nfs/dbraw/zinc/93/79/70/508937970.db2.gz ZCZSQJQKYDXJNM-ROUUACIJSA-N 1 2 355.825 2.891 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000120146640 508937972 /nfs/dbraw/zinc/93/79/72/508937972.db2.gz ZCZSQJQKYDXJNM-ROUUACIJSA-N 1 2 355.825 2.891 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCc1c(F)cccc1Cl ZINC000155510890 509017081 /nfs/dbraw/zinc/01/70/81/509017081.db2.gz HSIJJDRJPNTZFI-CYBMUJFWSA-N 1 2 359.836 2.894 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCc1c(F)cccc1Cl ZINC000155510890 509017084 /nfs/dbraw/zinc/01/70/84/509017084.db2.gz HSIJJDRJPNTZFI-CYBMUJFWSA-N 1 2 359.836 2.894 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(F)cc1Cl ZINC000132809608 509078135 /nfs/dbraw/zinc/07/81/35/509078135.db2.gz NMUDPIYXCOQWTN-UHFFFAOYSA-N 1 2 354.813 2.559 20 30 FFEDLO COc1ccc(OC)c(C[N@H+](CCO)Cc2ccc(C#N)cc2OC)c1 ZINC000120930141 509091401 /nfs/dbraw/zinc/09/14/01/509091401.db2.gz MFNRRQSUIHSDBO-UHFFFAOYSA-N 1 2 356.422 2.579 20 30 FFEDLO COc1ccc(OC)c(C[N@@H+](CCO)Cc2ccc(C#N)cc2OC)c1 ZINC000120930141 509091403 /nfs/dbraw/zinc/09/14/03/509091403.db2.gz MFNRRQSUIHSDBO-UHFFFAOYSA-N 1 2 356.422 2.579 20 30 FFEDLO O=S(=O)(c1ccccc1)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000156321906 509159801 /nfs/dbraw/zinc/15/98/01/509159801.db2.gz FBNJEJBEXUBPMM-UHFFFAOYSA-N 1 2 372.465 2.574 20 30 FFEDLO O=S(=O)(c1ccccc1)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000156321906 509159805 /nfs/dbraw/zinc/15/98/05/509159805.db2.gz FBNJEJBEXUBPMM-UHFFFAOYSA-N 1 2 372.465 2.574 20 30 FFEDLO Cn1c2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3)cc2[nH+]c1C1CC1 ZINC000121339806 509167858 /nfs/dbraw/zinc/16/78/58/509167858.db2.gz NSDJPJAUFVAIEX-UHFFFAOYSA-N 1 2 373.416 2.577 20 30 FFEDLO C=CCc1ccc(OCC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(OC)c1 ZINC000121462765 509175104 /nfs/dbraw/zinc/17/51/04/509175104.db2.gz MOHWGXLBDPVVCW-GOSISDBHSA-N 1 2 368.433 2.877 20 30 FFEDLO C[C@H](c1nccs1)N1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000185609834 509263893 /nfs/dbraw/zinc/26/38/93/509263893.db2.gz IDSKADJSZOGSIY-CQSZACIVSA-N 1 2 352.467 2.541 20 30 FFEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000192103208 509347992 /nfs/dbraw/zinc/34/79/92/509347992.db2.gz NHBQJWKEWDUNBQ-QFBILLFUSA-N 1 2 372.488 2.510 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000248552601 509360553 /nfs/dbraw/zinc/36/05/53/509360553.db2.gz AGKKLWSUCWHNOP-GUDVDZBRSA-N 1 2 368.525 2.741 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)N1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000248552601 509360557 /nfs/dbraw/zinc/36/05/57/509360557.db2.gz AGKKLWSUCWHNOP-GUDVDZBRSA-N 1 2 368.525 2.741 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000179404248 509424171 /nfs/dbraw/zinc/42/41/71/509424171.db2.gz GSVKOHBERAABPB-UHFFFAOYSA-N 1 2 358.449 2.520 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182843268 509457057 /nfs/dbraw/zinc/45/70/57/509457057.db2.gz RICPDAPPDNRMGV-XJKSGUPXSA-N 1 2 371.407 2.593 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182843268 509457061 /nfs/dbraw/zinc/45/70/61/509457061.db2.gz RICPDAPPDNRMGV-XJKSGUPXSA-N 1 2 371.407 2.593 20 30 FFEDLO CCN(CC)C(=O)CN1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000267355069 509463819 /nfs/dbraw/zinc/46/38/19/509463819.db2.gz HEJUQIFJVFZODG-UHFFFAOYSA-N 1 2 361.917 2.568 20 30 FFEDLO CCN(CC)C(=O)CN1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000267355069 509463825 /nfs/dbraw/zinc/46/38/25/509463825.db2.gz HEJUQIFJVFZODG-UHFFFAOYSA-N 1 2 361.917 2.568 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)c3cccnc3)CC2)cc1OC ZINC000179493232 509476901 /nfs/dbraw/zinc/47/69/01/509476901.db2.gz VOSGVKGDJPSRSP-UHFFFAOYSA-N 1 2 367.449 2.613 20 30 FFEDLO CO[C@@H](C)c1nc(CN2CCC[N@H+](C[C@@H](C#N)CCC#N)CC2)cs1 ZINC000267646730 509580902 /nfs/dbraw/zinc/58/09/02/509580902.db2.gz KPWWYLONDSMMEA-JKSUJKDBSA-N 1 2 361.515 2.802 20 30 FFEDLO CO[C@@H](C)c1nc(CN2CCC[N@@H+](C[C@@H](C#N)CCC#N)CC2)cs1 ZINC000267646730 509580907 /nfs/dbraw/zinc/58/09/07/509580907.db2.gz KPWWYLONDSMMEA-JKSUJKDBSA-N 1 2 361.515 2.802 20 30 FFEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000192693544 509601047 /nfs/dbraw/zinc/60/10/47/509601047.db2.gz WRCVMYCPTWJVES-QGZVFWFLSA-N 1 2 353.809 2.976 20 30 FFEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000192693544 509601054 /nfs/dbraw/zinc/60/10/54/509601054.db2.gz WRCVMYCPTWJVES-QGZVFWFLSA-N 1 2 353.809 2.976 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000186286982 509623079 /nfs/dbraw/zinc/62/30/79/509623079.db2.gz IESBMQYDLHDEER-SJORKVTESA-N 1 2 354.498 2.684 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000186286982 509623087 /nfs/dbraw/zinc/62/30/87/509623087.db2.gz IESBMQYDLHDEER-SJORKVTESA-N 1 2 354.498 2.684 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186506767 509746445 /nfs/dbraw/zinc/74/64/45/509746445.db2.gz QNKOSRJNMPKGPH-UHFFFAOYSA-N 1 2 352.425 2.673 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000249766810 509759001 /nfs/dbraw/zinc/75/90/01/509759001.db2.gz PQTXVMSAMYJXEN-SMDDNHRTSA-N 1 2 357.414 2.666 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000249766810 509759005 /nfs/dbraw/zinc/75/90/05/509759005.db2.gz PQTXVMSAMYJXEN-SMDDNHRTSA-N 1 2 357.414 2.666 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)N[C@H](C)c2ccccc2OC)cc1 ZINC000264897706 509763199 /nfs/dbraw/zinc/76/31/99/509763199.db2.gz AWQKDMHFHAYNAK-ZIAGYGMSSA-N 1 2 371.437 2.607 20 30 FFEDLO COc1ccc(C[N@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)c(OC)c1 ZINC000176985236 509801373 /nfs/dbraw/zinc/80/13/73/509801373.db2.gz SZZFZTDSXDZESG-MRXNPFEDSA-N 1 2 371.462 2.874 20 30 FFEDLO COc1ccc(C[N@@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)c(OC)c1 ZINC000176985236 509801382 /nfs/dbraw/zinc/80/13/82/509801382.db2.gz SZZFZTDSXDZESG-MRXNPFEDSA-N 1 2 371.462 2.874 20 30 FFEDLO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000186651902 509828071 /nfs/dbraw/zinc/82/80/71/509828071.db2.gz XWWODNJEPYFRMO-UHFFFAOYSA-N 1 2 363.889 2.966 20 30 FFEDLO C[N@H+](Cc1ccc([S@](C)=O)cc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177211268 509938966 /nfs/dbraw/zinc/93/89/66/509938966.db2.gz BBAQPDUQKYGIPA-CPJLOUKISA-N 1 2 373.503 2.594 20 30 FFEDLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177211268 509938972 /nfs/dbraw/zinc/93/89/72/509938972.db2.gz BBAQPDUQKYGIPA-CPJLOUKISA-N 1 2 373.503 2.594 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCc2nc([C@@H](C)OCC(C)C)no2)cc1 ZINC000174115130 509955159 /nfs/dbraw/zinc/95/51/59/509955159.db2.gz PRYNQNRENKBRHH-CYBMUJFWSA-N 1 2 362.430 2.843 20 30 FFEDLO CC[C@H](CC#N)NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000183840696 510001428 /nfs/dbraw/zinc/00/14/28/510001428.db2.gz HIPIVDLQYSMLSU-MRXNPFEDSA-N 1 2 352.438 2.965 20 30 FFEDLO C=CC[C@@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000190286171 510044239 /nfs/dbraw/zinc/04/42/39/510044239.db2.gz BTZWSYNJLLXJFO-AZUAARDMSA-N 1 2 369.509 2.501 20 30 FFEDLO Cc1cnc(N2CC[NH+](CC(=O)N(CCC#N)c3ccccc3)CC2)s1 ZINC000265431095 510048680 /nfs/dbraw/zinc/04/86/80/510048680.db2.gz MUNPLEZXYBTVOU-UHFFFAOYSA-N 1 2 369.494 2.520 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000245759424 510133020 /nfs/dbraw/zinc/13/30/20/510133020.db2.gz FEBWQANVPBGCFZ-SJORKVTESA-N 1 2 350.509 2.692 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000245759424 510133023 /nfs/dbraw/zinc/13/30/23/510133023.db2.gz FEBWQANVPBGCFZ-SJORKVTESA-N 1 2 350.509 2.692 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245781940 510143011 /nfs/dbraw/zinc/14/30/11/510143011.db2.gz VEEJCKQTYCJBJH-SJORKVTESA-N 1 2 365.437 2.647 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245781940 510143018 /nfs/dbraw/zinc/14/30/18/510143018.db2.gz VEEJCKQTYCJBJH-SJORKVTESA-N 1 2 365.437 2.647 20 30 FFEDLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CCN1CC(F)F ZINC000245789396 510145756 /nfs/dbraw/zinc/14/57/56/510145756.db2.gz WXEQKEGNISERMC-CJNGLKHVSA-N 1 2 350.413 2.547 20 30 FFEDLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CCN1CC(F)F ZINC000245789396 510145759 /nfs/dbraw/zinc/14/57/59/510145759.db2.gz WXEQKEGNISERMC-CJNGLKHVSA-N 1 2 350.413 2.547 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)NCCOc1ccc(C#N)cc1 ZINC000174664421 510237889 /nfs/dbraw/zinc/23/78/89/510237889.db2.gz URVAVDOYOQLFKG-UHFFFAOYSA-N 1 2 363.421 2.595 20 30 FFEDLO C[C@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265821663 510248887 /nfs/dbraw/zinc/24/88/87/510248887.db2.gz IKYRATNMNIYZPD-YOEHRIQHSA-N 1 2 372.469 2.732 20 30 FFEDLO C[C@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265821663 510248893 /nfs/dbraw/zinc/24/88/93/510248893.db2.gz IKYRATNMNIYZPD-YOEHRIQHSA-N 1 2 372.469 2.732 20 30 FFEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000184349728 510277139 /nfs/dbraw/zinc/27/71/39/510277139.db2.gz WGNYPUWHXSIRLL-IAGOWNOFSA-N 1 2 372.469 2.696 20 30 FFEDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000184484969 510349489 /nfs/dbraw/zinc/34/94/89/510349489.db2.gz PWTISMFFOHMDFJ-HOTGVXAUSA-N 1 2 357.454 2.939 20 30 FFEDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000184484969 510349497 /nfs/dbraw/zinc/34/94/97/510349497.db2.gz PWTISMFFOHMDFJ-HOTGVXAUSA-N 1 2 357.454 2.939 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccc(C#N)cc1 ZINC000269347877 510353925 /nfs/dbraw/zinc/35/39/25/510353925.db2.gz DYBVBAOOGXGVGC-UHFFFAOYSA-N 1 2 366.421 2.727 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccc(C#N)cc1 ZINC000269347877 510353934 /nfs/dbraw/zinc/35/39/34/510353934.db2.gz DYBVBAOOGXGVGC-UHFFFAOYSA-N 1 2 366.421 2.727 20 30 FFEDLO Cc1c(-c2cc(C[NH+]3CCN(c4ccccc4C#N)CC3)on2)cnn1C ZINC000184497601 510357986 /nfs/dbraw/zinc/35/79/86/510357986.db2.gz GLMROPWBRSRJQP-UHFFFAOYSA-N 1 2 362.437 2.577 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000246299908 510412896 /nfs/dbraw/zinc/41/28/96/510412896.db2.gz BXYGMCNCEHTMQO-BJZITVGISA-N 1 2 358.463 2.821 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000246299908 510412903 /nfs/dbraw/zinc/41/29/03/510412903.db2.gz BXYGMCNCEHTMQO-BJZITVGISA-N 1 2 358.463 2.821 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)ccc1C#N ZINC000171871095 510420702 /nfs/dbraw/zinc/42/07/02/510420702.db2.gz JLSUKBFMLRJLDT-HNNXBMFYSA-N 1 2 370.403 2.934 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)ccc1C#N ZINC000171871095 510420708 /nfs/dbraw/zinc/42/07/08/510420708.db2.gz JLSUKBFMLRJLDT-HNNXBMFYSA-N 1 2 370.403 2.934 20 30 FFEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC(=O)Nc1ccccc1OC(F)F ZINC000266202152 510460063 /nfs/dbraw/zinc/46/00/63/510460063.db2.gz LSKWGUJMOLLYEG-NSHDSACASA-N 1 2 359.373 2.576 20 30 FFEDLO CC[C@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)c1cccc(OCc2cccnc2)c1 ZINC000178155773 510460973 /nfs/dbraw/zinc/46/09/73/510460973.db2.gz GYFKGIYDQGWREG-LSDHHAIUSA-N 1 2 370.453 2.601 20 30 FFEDLO CCOc1ccccc1NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000269867549 510575776 /nfs/dbraw/zinc/57/57/76/510575776.db2.gz LNKHDPWWFXXLMG-CYBMUJFWSA-N 1 2 369.421 2.684 20 30 FFEDLO Cn1cc(C[NH+]2CCN(C(=O)CCCc3ccccc3)CC2)cc1C#N ZINC000191296086 510591496 /nfs/dbraw/zinc/59/14/96/510591496.db2.gz VPOJOMWBSRTENO-UHFFFAOYSA-N 1 2 350.466 2.564 20 30 FFEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)s1 ZINC000185023456 510641228 /nfs/dbraw/zinc/64/12/28/510641228.db2.gz ZSYZKCIJHCIHOV-ZDUSSCGKSA-N 1 2 366.450 2.798 20 30 FFEDLO N#CCCCOc1cccc(NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)c1 ZINC000188223192 510657535 /nfs/dbraw/zinc/65/75/35/510657535.db2.gz KQRRVEHSQYGWQY-IBGZPJMESA-N 1 2 357.454 2.809 20 30 FFEDLO N#CCCCOc1cccc(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)c1 ZINC000188223192 510657543 /nfs/dbraw/zinc/65/75/43/510657543.db2.gz KQRRVEHSQYGWQY-IBGZPJMESA-N 1 2 357.454 2.809 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185073477 510668699 /nfs/dbraw/zinc/66/86/99/510668699.db2.gz PMJVFMKMKRTALV-XIKOKIGWSA-N 1 2 359.405 2.581 20 30 FFEDLO N#CC1CCN(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)CC1 ZINC000175514443 510670102 /nfs/dbraw/zinc/67/01/02/510670102.db2.gz BVCHLLPFKGNYIB-UHFFFAOYSA-N 1 2 351.454 2.961 20 30 FFEDLO CC#CCCCC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000185087102 510677849 /nfs/dbraw/zinc/67/78/49/510677849.db2.gz LNFYJLUHIAPYJF-LJQANCHMSA-N 1 2 355.438 2.837 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCSC[C@H]2C)c1C#N ZINC000172589406 510809492 /nfs/dbraw/zinc/80/94/92/510809492.db2.gz CQLVYTVUCHZWFT-CYBMUJFWSA-N 1 2 372.494 2.994 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCSC[C@H]2C)c1C#N ZINC000172589406 510809500 /nfs/dbraw/zinc/80/95/00/510809500.db2.gz CQLVYTVUCHZWFT-CYBMUJFWSA-N 1 2 372.494 2.994 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)C1CC1 ZINC000247223665 510853289 /nfs/dbraw/zinc/85/32/89/510853289.db2.gz XVPGHMHKUREMIX-QRWLVFNGSA-N 1 2 357.429 2.529 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)C1CC1 ZINC000247223665 510853290 /nfs/dbraw/zinc/85/32/90/510853290.db2.gz XVPGHMHKUREMIX-QRWLVFNGSA-N 1 2 357.429 2.529 20 30 FFEDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000247646963 510867654 /nfs/dbraw/zinc/86/76/54/510867654.db2.gz OXZBLUFTFMNJIU-IUODEOHRSA-N 1 2 364.858 2.680 20 30 FFEDLO CCN1CCN([C@H](C)C(=O)Nc2nc(C)c(C)s2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329925539 510879143 /nfs/dbraw/zinc/87/91/43/510879143.db2.gz VNEBWEJWRJHOMN-TZMCWYRMSA-N 1 2 362.503 2.838 20 30 FFEDLO Cc1ccn2cc(CNC(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)nc2c1 ZINC000329936506 510881779 /nfs/dbraw/zinc/88/17/79/510881779.db2.gz DDYIQJUZJCLBPM-RDJZCZTQSA-N 1 2 352.442 2.836 20 30 FFEDLO Cc1[nH]c2c(cc(C)cc2CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1C ZINC000329948567 510884166 /nfs/dbraw/zinc/88/41/66/510884166.db2.gz ZEMIMCLXFIILGD-MSOLQXFVSA-N 1 2 356.470 2.522 20 30 FFEDLO Cc1[nH]c2c(cc(C)cc2CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1C ZINC000329948567 510884169 /nfs/dbraw/zinc/88/41/69/510884169.db2.gz ZEMIMCLXFIILGD-MSOLQXFVSA-N 1 2 356.470 2.522 20 30 FFEDLO CCN1CCN(C(=O)NCC2(c3ccc(F)cc3)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329947329 510884848 /nfs/dbraw/zinc/88/48/48/510884848.db2.gz GWBSUXXQCNNUHS-QGZVFWFLSA-N 1 2 371.460 2.873 20 30 FFEDLO C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)C[C@H]1C ZINC000329977297 510891481 /nfs/dbraw/zinc/89/14/81/510891481.db2.gz FZTGKBSOOXGKFX-SSGTUYFUSA-N 1 2 365.497 2.661 20 30 FFEDLO C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)C[C@H]1C ZINC000329977297 510891489 /nfs/dbraw/zinc/89/14/89/510891489.db2.gz FZTGKBSOOXGKFX-SSGTUYFUSA-N 1 2 365.497 2.661 20 30 FFEDLO CCN1CCN(CC(=O)Nc2cc(C(C)(C)C)no2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329974158 510891556 /nfs/dbraw/zinc/89/15/56/510891556.db2.gz ZZCJBTLLUPZOLL-CYBMUJFWSA-N 1 2 360.462 2.662 20 30 FFEDLO CC[C@@H]1CCC[C@H]1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000329979269 510892403 /nfs/dbraw/zinc/89/24/03/510892403.db2.gz JFPDHUNLHRMEKM-VSZNYVQBSA-N 1 2 365.497 2.757 20 30 FFEDLO CC[C@@H]1CCC[C@H]1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000329979269 510892408 /nfs/dbraw/zinc/89/24/08/510892408.db2.gz JFPDHUNLHRMEKM-VSZNYVQBSA-N 1 2 365.497 2.757 20 30 FFEDLO CCN1CCN(C(=O)N[C@H]2CCOc3c(F)cccc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329986031 510893387 /nfs/dbraw/zinc/89/33/87/510893387.db2.gz DWQYHLJMVDQTLV-JKSUJKDBSA-N 1 2 373.432 2.665 20 30 FFEDLO CCN1CCN(C(=O)NCc2nc(C(C)C)cs2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329996599 510895990 /nfs/dbraw/zinc/89/59/90/510895990.db2.gz PEACYFQKUXXHDJ-CQSZACIVSA-N 1 2 362.503 2.782 20 30 FFEDLO CC[C@@H](C)n1ncc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1C ZINC000330101424 510917121 /nfs/dbraw/zinc/91/71/21/510917121.db2.gz FMOFXAIZJOEYME-WBVHZDCISA-N 1 2 363.506 2.895 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000282298900 510920903 /nfs/dbraw/zinc/92/09/03/510920903.db2.gz RDMQTECKFRHQTD-WWDZGPRUSA-N 1 2 355.486 2.800 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1cccc(OCC#N)c1 ZINC000277547891 510966154 /nfs/dbraw/zinc/96/61/54/510966154.db2.gz MDDJHBVIHDFIII-UHFFFAOYSA-N 1 2 354.454 2.829 20 30 FFEDLO CCn1cc([C@H]2OCCC[C@@H]2NC(=O)[C@H](C)[NH+]2CCSCC2)cn1 ZINC000330338841 510970133 /nfs/dbraw/zinc/97/01/33/510970133.db2.gz VWSLYAMQQRBJDU-CWRNSKLLSA-N 1 2 352.504 2.517 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)cc1OCCCC#N ZINC000277744200 510970832 /nfs/dbraw/zinc/97/08/32/510970832.db2.gz UPJWDFBMBUOTTH-MYYSRTQBSA-N 1 2 350.484 2.721 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)cc1OCCCC#N ZINC000277744200 510970837 /nfs/dbraw/zinc/97/08/37/510970837.db2.gz UPJWDFBMBUOTTH-MYYSRTQBSA-N 1 2 350.484 2.721 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc(OCC#N)cc1 ZINC000277743165 510971242 /nfs/dbraw/zinc/97/12/42/510971242.db2.gz VNXKWSSAMHXXNV-UHFFFAOYSA-N 1 2 369.469 2.970 20 30 FFEDLO Cc1nsc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C#N ZINC000294225709 510995784 /nfs/dbraw/zinc/99/57/84/510995784.db2.gz NXMHBQOZJTZRJZ-UHFFFAOYSA-N 1 2 366.450 2.545 20 30 FFEDLO CC(=O)N1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)CC12CCCCC2 ZINC000270841890 511002942 /nfs/dbraw/zinc/00/29/42/511002942.db2.gz GADUWBNTPIJJQG-MRXNPFEDSA-N 1 2 368.481 2.752 20 30 FFEDLO CC(=O)N1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)CC12CCCCC2 ZINC000270841890 511002946 /nfs/dbraw/zinc/00/29/46/511002946.db2.gz GADUWBNTPIJJQG-MRXNPFEDSA-N 1 2 368.481 2.752 20 30 FFEDLO COc1ccc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1Br ZINC000330622249 511003404 /nfs/dbraw/zinc/00/34/04/511003404.db2.gz NMBFMTZKVROYBX-NEPJUHHUSA-N 1 2 371.275 2.872 20 30 FFEDLO C[C@H](CC#N)N(C)C(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278811853 511007871 /nfs/dbraw/zinc/00/78/71/511007871.db2.gz ZRHISFPCDWJLJR-CQSZACIVSA-N 1 2 365.437 2.585 20 30 FFEDLO CSc1nc(C(C)C)nc(C)c1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000330813988 511019242 /nfs/dbraw/zinc/01/92/42/511019242.db2.gz OCTKPZINSSVZPI-LBPRGKRZSA-N 1 2 352.504 2.656 20 30 FFEDLO CSc1nc(C(C)C)nc(C)c1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000330813987 511019283 /nfs/dbraw/zinc/01/92/83/511019283.db2.gz OCTKPZINSSVZPI-GFCCVEGCSA-N 1 2 352.504 2.656 20 30 FFEDLO COc1c[nH+]c(N2CCC(C)(C#N)CC2)nc1N1CCC(C)(C#N)CC1 ZINC000286615312 511029068 /nfs/dbraw/zinc/02/90/68/511029068.db2.gz VOKPVNUJKHXIOH-UHFFFAOYSA-N 1 2 354.458 2.745 20 30 FFEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000331316582 511059636 /nfs/dbraw/zinc/05/96/36/511059636.db2.gz DCNULNHCMDGVDX-ZWNOBZJWSA-N 1 2 369.206 2.512 20 30 FFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000331359543 511064372 /nfs/dbraw/zinc/06/43/72/511064372.db2.gz WPZLTUNQVMXPEV-GWCFXTLKSA-N 1 2 369.206 2.512 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000289236215 511095934 /nfs/dbraw/zinc/09/59/34/511095934.db2.gz OJMOKNUFOBVPDG-KZNAEPCWSA-N 1 2 363.421 2.717 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000289236215 511095938 /nfs/dbraw/zinc/09/59/38/511095938.db2.gz OJMOKNUFOBVPDG-KZNAEPCWSA-N 1 2 363.421 2.717 20 30 FFEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)cs1 ZINC000294545495 511100109 /nfs/dbraw/zinc/10/01/09/511100109.db2.gz IIHXWGSVLGEWPT-IBGZPJMESA-N 1 2 358.511 2.960 20 30 FFEDLO Cc1nc(C[N@H+]2CCCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)cs1 ZINC000294545495 511100111 /nfs/dbraw/zinc/10/01/11/511100111.db2.gz IIHXWGSVLGEWPT-IBGZPJMESA-N 1 2 358.511 2.960 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279687577 511177910 /nfs/dbraw/zinc/17/79/10/511177910.db2.gz FVJCNEOAWYIYQG-ROUUACIJSA-N 1 2 371.481 2.592 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279687577 511177917 /nfs/dbraw/zinc/17/79/17/511177917.db2.gz FVJCNEOAWYIYQG-ROUUACIJSA-N 1 2 371.481 2.592 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000298207952 511210273 /nfs/dbraw/zinc/21/02/73/511210273.db2.gz ULLCPEXIRRANON-WMZOPIPTSA-N 1 2 356.470 2.605 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1)c1cccc(Cl)c1 ZINC000291676898 511292807 /nfs/dbraw/zinc/29/28/07/511292807.db2.gz GSDQHKPVTWNTQE-ZDUSSCGKSA-N 1 2 371.815 2.536 20 30 FFEDLO N#CCCN(C(=O)C[N@H+]1CCC(F)(F)[C@H](CO)C1)c1cccc(Cl)c1 ZINC000291676898 511292812 /nfs/dbraw/zinc/29/28/12/511292812.db2.gz GSDQHKPVTWNTQE-ZDUSSCGKSA-N 1 2 371.815 2.536 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291737262 511317236 /nfs/dbraw/zinc/31/72/36/511317236.db2.gz JVLSSGFNDVHHPK-ZDUSSCGKSA-N 1 2 356.438 2.853 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291737262 511317238 /nfs/dbraw/zinc/31/72/38/511317238.db2.gz JVLSSGFNDVHHPK-ZDUSSCGKSA-N 1 2 356.438 2.853 20 30 FFEDLO N#CCc1ccc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000271876892 511355696 /nfs/dbraw/zinc/35/56/96/511355696.db2.gz ZMINNCPUYNYMMK-FQEVSTJZSA-N 1 2 350.418 2.697 20 30 FFEDLO N#CCc1ccc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000271876892 511355703 /nfs/dbraw/zinc/35/57/03/511355703.db2.gz ZMINNCPUYNYMMK-FQEVSTJZSA-N 1 2 350.418 2.697 20 30 FFEDLO Cc1ncc(CO)c(/C=N/c2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000298679948 511372477 /nfs/dbraw/zinc/37/24/77/511372477.db2.gz WHUFTRRDBKEKEX-ZNJFNICZSA-N 1 2 369.465 2.948 20 30 FFEDLO Cc1ncc(CO)c(/C=N/c2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000298679948 511372481 /nfs/dbraw/zinc/37/24/81/511372481.db2.gz WHUFTRRDBKEKEX-ZNJFNICZSA-N 1 2 369.465 2.948 20 30 FFEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC([C@H]3C(=O)Nc4ccccc43)CC2)cc1 ZINC000363200396 511413437 /nfs/dbraw/zinc/41/34/37/511413437.db2.gz JWJPLBZPPINZEJ-OAQYLSRUSA-N 1 2 374.444 2.945 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280311068 511415501 /nfs/dbraw/zinc/41/55/01/511415501.db2.gz GIEJSIZTEXOSDV-DYESRHJHSA-N 1 2 371.481 2.592 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280311068 511415507 /nfs/dbraw/zinc/41/55/07/511415507.db2.gz GIEJSIZTEXOSDV-DYESRHJHSA-N 1 2 371.481 2.592 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nc(-c4ccc(F)cc4)no3)C2)nc1 ZINC000292047728 511445025 /nfs/dbraw/zinc/44/50/25/511445025.db2.gz AYZUHXKGPMCOTJ-INIZCTEOSA-N 1 2 365.368 2.796 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nc(-c4ccc(F)cc4)no3)C2)nc1 ZINC000292047728 511445029 /nfs/dbraw/zinc/44/50/29/511445029.db2.gz AYZUHXKGPMCOTJ-INIZCTEOSA-N 1 2 365.368 2.796 20 30 FFEDLO C#Cc1cccc(NC(=O)C(=O)N2CCCC[C@@H]2c2[nH+]ccn2CC)c1 ZINC000280541676 511504579 /nfs/dbraw/zinc/50/45/79/511504579.db2.gz HZCKNKJGPZKLHN-QGZVFWFLSA-N 1 2 350.422 2.577 20 30 FFEDLO Cc1cc(-c2noc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C3CC3)n2)ccc1F ZINC000273310236 511521472 /nfs/dbraw/zinc/52/14/72/511521472.db2.gz MXNDBJDCUGLTSW-BUXKBTBVSA-N 1 2 371.416 2.643 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1CNc1[nH+]cnc2c1c(Br)nn2C ZINC000280725881 511578285 /nfs/dbraw/zinc/57/82/85/511578285.db2.gz JIJDHSYOGUDHTP-GXSJLCMTSA-N 1 2 352.236 2.519 20 30 FFEDLO CC[C@H]1CC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000292533646 511633093 /nfs/dbraw/zinc/63/30/93/511633093.db2.gz XGKOYVZFKKSPIZ-JKSUJKDBSA-N 1 2 370.497 2.840 20 30 FFEDLO CC[C@H]1CC[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000292533646 511633096 /nfs/dbraw/zinc/63/30/96/511633096.db2.gz XGKOYVZFKKSPIZ-JKSUJKDBSA-N 1 2 370.497 2.840 20 30 FFEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000280870328 511635823 /nfs/dbraw/zinc/63/58/23/511635823.db2.gz CJCOBXPHJNVQFO-TZMCWYRMSA-N 1 2 360.380 2.568 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000280978528 511675726 /nfs/dbraw/zinc/67/57/26/511675726.db2.gz LBRGOJDDEPVYFR-QGZVFWFLSA-N 1 2 370.840 2.836 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000280978528 511675730 /nfs/dbraw/zinc/67/57/30/511675730.db2.gz LBRGOJDDEPVYFR-QGZVFWFLSA-N 1 2 370.840 2.836 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)NCc2ccc(OCC#N)cc2)CC1(C)C ZINC000296268757 511678742 /nfs/dbraw/zinc/67/87/42/511678742.db2.gz HKCCCCNXJKGUTL-MRXNPFEDSA-N 1 2 353.426 2.615 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000281014660 511688759 /nfs/dbraw/zinc/68/87/59/511688759.db2.gz NWQQVADWWMEFNN-MAUKXSAKSA-N 1 2 350.422 2.571 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000281014660 511688764 /nfs/dbraw/zinc/68/87/64/511688764.db2.gz NWQQVADWWMEFNN-MAUKXSAKSA-N 1 2 350.422 2.571 20 30 FFEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000284360662 511696723 /nfs/dbraw/zinc/69/67/23/511696723.db2.gz DKQLMSASRASHOM-HNNXBMFYSA-N 1 2 369.490 2.928 20 30 FFEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000284360662 511696730 /nfs/dbraw/zinc/69/67/30/511696730.db2.gz DKQLMSASRASHOM-HNNXBMFYSA-N 1 2 369.490 2.928 20 30 FFEDLO N#CCSc1ccccc1NC(=O)CN1CC[NH+](Cc2ccco2)CC1 ZINC000281064871 511708099 /nfs/dbraw/zinc/70/80/99/511708099.db2.gz UAOFVVLTAQAWFE-UHFFFAOYSA-N 1 2 370.478 2.652 20 30 FFEDLO C=CC[N@@H+](CCC#N)Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1 ZINC000292832055 511737508 /nfs/dbraw/zinc/73/75/08/511737508.db2.gz RKERZDDCRIDHHT-INIZCTEOSA-N 1 2 359.470 2.842 20 30 FFEDLO C=CC[N@H+](CCC#N)Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1 ZINC000292832055 511737512 /nfs/dbraw/zinc/73/75/12/511737512.db2.gz RKERZDDCRIDHHT-INIZCTEOSA-N 1 2 359.470 2.842 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000303700403 511748708 /nfs/dbraw/zinc/74/87/08/511748708.db2.gz ODJZFLSQMMXSBV-IEBWSBKVSA-N 1 2 357.498 2.927 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000303700403 511748710 /nfs/dbraw/zinc/74/87/10/511748710.db2.gz ODJZFLSQMMXSBV-IEBWSBKVSA-N 1 2 357.498 2.927 20 30 FFEDLO N#Cc1cc(C(=O)NCCCCNc2cccc[nH+]2)cnc1C(F)(F)F ZINC000293152934 511861097 /nfs/dbraw/zinc/86/10/97/511861097.db2.gz SNNXOLVWBKAMKQ-UHFFFAOYSA-N 1 2 363.343 2.989 20 30 FFEDLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)NC1CCOCC1)CC2 ZINC000328622484 511896734 /nfs/dbraw/zinc/89/67/34/511896734.db2.gz BGKJZBQINDAOEB-HNNXBMFYSA-N 1 2 364.515 2.522 20 30 FFEDLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)NC1CCOCC1)CC2 ZINC000328622484 511896736 /nfs/dbraw/zinc/89/67/36/511896736.db2.gz BGKJZBQINDAOEB-HNNXBMFYSA-N 1 2 364.515 2.522 20 30 FFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)CNC(=O)CC2CCCCC2)CC1 ZINC000328782445 511931399 /nfs/dbraw/zinc/93/13/99/511931399.db2.gz JQNACUVWVFWRDJ-UHFFFAOYSA-N 1 2 358.486 2.966 20 30 FFEDLO Cc1cn2cc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2[nH+]1 ZINC000328819449 511936189 /nfs/dbraw/zinc/93/61/89/511936189.db2.gz HIECBABPCONZBM-GJZGRUSLSA-N 1 2 354.410 2.796 20 30 FFEDLO Cc1ccn2cc(CNC(=O)N3CCCC[C@@H]3[C@H]3CNC(=O)C3)[nH+]c2c1 ZINC000328951908 511956483 /nfs/dbraw/zinc/95/64/83/511956483.db2.gz NSXRNHXXYDBVGU-GDBMZVCRSA-N 1 2 355.442 2.888 20 30 FFEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c(C)c1 ZINC000329014264 511966623 /nfs/dbraw/zinc/96/66/23/511966623.db2.gz FSCOFZUCVOQIGR-LSDHHAIUSA-N 1 2 358.442 2.501 20 30 FFEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CCN3C(=O)CC[C@@H]3C2)c(C)c1 ZINC000329014264 511966627 /nfs/dbraw/zinc/96/66/27/511966627.db2.gz FSCOFZUCVOQIGR-LSDHHAIUSA-N 1 2 358.442 2.501 20 30 FFEDLO C[C@@H]1CC(=O)CC[C@H]1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329040877 511972195 /nfs/dbraw/zinc/97/21/95/511972195.db2.gz ICJZXWJWQOFCMP-BGIGGGFGSA-N 1 2 372.469 2.576 20 30 FFEDLO CCn1ccnc1[C@H](NC(=O)[C@H](C)[NH+]1CCSCC1)C1CCOCC1 ZINC000329089396 511980598 /nfs/dbraw/zinc/98/05/98/511980598.db2.gz VYGBPQRCJCQPAI-GOEBONIOSA-N 1 2 366.531 2.765 20 30 FFEDLO CCn1cc[nH+]c1[C@H](NC(=O)c1cn(C(C)(C)C)nn1)C1CCOCC1 ZINC000329097081 511982350 /nfs/dbraw/zinc/98/23/50/511982350.db2.gz YJYHTMXRWLCOOD-OAHLLOKOSA-N 1 2 360.462 2.722 20 30 FFEDLO COc1cccc(N2CCC[C@H](NC(=O)C3([NH+]4CCOCC4)CCC3)C2)c1 ZINC000329100610 511983425 /nfs/dbraw/zinc/98/34/25/511983425.db2.gz MPXSPIMXTSDMRU-KRWDZBQOSA-N 1 2 373.497 2.875 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@H]1C=CCCC1 ZINC000329151015 511993447 /nfs/dbraw/zinc/99/34/47/511993447.db2.gz SAURXWPDQQDEKS-JYJNAYRXSA-N 1 2 350.438 2.816 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@H]1C=CCCC1 ZINC000329151015 511993452 /nfs/dbraw/zinc/99/34/52/511993452.db2.gz SAURXWPDQQDEKS-JYJNAYRXSA-N 1 2 350.438 2.816 20 30 FFEDLO CC[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)c1nc(C)cs1 ZINC000329235120 512010019 /nfs/dbraw/zinc/01/00/19/512010019.db2.gz IHWHVBRMBQUJSC-ZNMIVQPWSA-N 1 2 352.504 2.612 20 30 FFEDLO [O-]C(=[NH+]C[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000329263499 512016445 /nfs/dbraw/zinc/01/64/45/512016445.db2.gz BLCYBHHZEPVETM-GJZGRUSLSA-N 1 2 369.473 2.550 20 30 FFEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000329278157 512018065 /nfs/dbraw/zinc/01/80/65/512018065.db2.gz JNZJUYKGWPWUSL-HDMKZQKVSA-N 1 2 358.486 2.871 20 30 FFEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(Cl)c(OC(F)F)c3)C[C@H]21 ZINC000329316597 512026167 /nfs/dbraw/zinc/02/61/67/512026167.db2.gz HPCCVOIVERQKKY-DGCLKSJQSA-N 1 2 361.776 2.502 20 30 FFEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(Cl)c(OC(F)F)c3)C[C@H]21 ZINC000329316597 512026170 /nfs/dbraw/zinc/02/61/70/512026170.db2.gz HPCCVOIVERQKKY-DGCLKSJQSA-N 1 2 361.776 2.502 20 30 FFEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2CCN(C(=O)C3CC3)CC2)c1 ZINC000329334932 512029129 /nfs/dbraw/zinc/02/91/29/512029129.db2.gz KZELHUISRRIWQN-UHFFFAOYSA-N 1 2 352.438 2.886 20 30 FFEDLO Cn1cc(-c2ccccc2CNC(=O)C2([NH+]3CCOCC3)CCC2)cn1 ZINC000329344392 512030165 /nfs/dbraw/zinc/03/01/65/512030165.db2.gz UHGWVZQTUUVJKH-UHFFFAOYSA-N 1 2 354.454 2.799 20 30 FFEDLO CO[C@]1(C)CCCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CC1 ZINC000329360517 512032966 /nfs/dbraw/zinc/03/29/66/512032966.db2.gz YAKCKBOVNNOZRG-VQIMIIECSA-N 1 2 364.490 2.693 20 30 FFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000329415643 512041503 /nfs/dbraw/zinc/04/15/03/512041503.db2.gz CXFSGDOHTZDYBG-CHWSQXEVSA-N 1 2 352.504 2.781 20 30 FFEDLO CC1CCN(c2ccc(CNC(=O)N3CCOCC4(CC4)C3)c[nH+]2)CC1 ZINC000329451474 512048755 /nfs/dbraw/zinc/04/87/55/512048755.db2.gz MCEUSRGLGZDAKJ-UHFFFAOYSA-N 1 2 358.486 2.844 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000329526259 512063952 /nfs/dbraw/zinc/06/39/52/512063952.db2.gz HLTXHUZOEFBXHY-YRXWBPOGSA-N 1 2 366.465 2.616 20 30 FFEDLO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000329527048 512064293 /nfs/dbraw/zinc/06/42/93/512064293.db2.gz UBBZTXSUAHHPRL-ZDUSSCGKSA-N 1 2 362.478 2.566 20 30 FFEDLO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000329527048 512064295 /nfs/dbraw/zinc/06/42/95/512064295.db2.gz UBBZTXSUAHHPRL-ZDUSSCGKSA-N 1 2 362.478 2.566 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H](C)[C@H]1CCCOC1)CC2 ZINC000329535048 512065818 /nfs/dbraw/zinc/06/58/18/512065818.db2.gz ZAWXGPHBRCLZLB-ZBFHGGJFSA-N 1 2 362.470 2.834 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H](C)[C@H]1CCCOC1)CC2 ZINC000329535048 512065822 /nfs/dbraw/zinc/06/58/22/512065822.db2.gz ZAWXGPHBRCLZLB-ZBFHGGJFSA-N 1 2 362.470 2.834 20 30 FFEDLO CC(C)(C)c1cnc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)s1 ZINC000329592936 512074338 /nfs/dbraw/zinc/07/43/38/512074338.db2.gz ZLZWSVIAZXNPEJ-ZDUSSCGKSA-N 1 2 352.504 2.783 20 30 FFEDLO Cc1ccc(Cl)cc1N1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329622594 512078121 /nfs/dbraw/zinc/07/81/21/512078121.db2.gz RUJNXWUXTFJWDI-OAHLLOKOSA-N 1 2 373.888 2.965 20 30 FFEDLO Cc1ccc(Cl)cc1N1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329622594 512078130 /nfs/dbraw/zinc/07/81/30/512078130.db2.gz RUJNXWUXTFJWDI-OAHLLOKOSA-N 1 2 373.888 2.965 20 30 FFEDLO O=C(C[N@@H+]1CCCc2occc2C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000329656638 512083067 /nfs/dbraw/zinc/08/30/67/512083067.db2.gz MUYPRSUFOWCCPH-UHFFFAOYSA-N 1 2 357.366 2.959 20 30 FFEDLO O=C(C[N@H+]1CCCc2occc2C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000329656638 512083069 /nfs/dbraw/zinc/08/30/69/512083069.db2.gz MUYPRSUFOWCCPH-UHFFFAOYSA-N 1 2 357.366 2.959 20 30 FFEDLO C=CCn1c(CC(C)C)nnc1N1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000282147749 512088654 /nfs/dbraw/zinc/08/86/54/512088654.db2.gz BWTMXFQSFMRFNR-UHFFFAOYSA-N 1 2 358.490 2.590 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000329727797 512091313 /nfs/dbraw/zinc/09/13/13/512091313.db2.gz OWWMCNOYSMWPDF-GFCCVEGCSA-N 1 2 353.401 2.860 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000329727797 512091315 /nfs/dbraw/zinc/09/13/15/512091315.db2.gz OWWMCNOYSMWPDF-GFCCVEGCSA-N 1 2 353.401 2.860 20 30 FFEDLO O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329776428 512096530 /nfs/dbraw/zinc/09/65/30/512096530.db2.gz OCNNXHUZWSWWNU-UONOGXRCSA-N 1 2 374.876 2.830 20 30 FFEDLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1=O ZINC000329785423 512097533 /nfs/dbraw/zinc/09/75/33/512097533.db2.gz XAAHEABTNBXJRJ-VYCZESIESA-N 1 2 373.522 2.742 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000329901401 512105925 /nfs/dbraw/zinc/10/59/25/512105925.db2.gz GXBQNHGAEMABOW-UBDQQSCGSA-N 1 2 365.497 2.757 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000329901401 512105927 /nfs/dbraw/zinc/10/59/27/512105927.db2.gz GXBQNHGAEMABOW-UBDQQSCGSA-N 1 2 365.497 2.757 20 30 FFEDLO Cc1cnc2c(cccc2S(=O)(=O)N2CC[NH+]([C@H](C)CCC#N)CC2)c1 ZINC000411142130 512487824 /nfs/dbraw/zinc/48/78/24/512487824.db2.gz JXZNFMYHXJGJAE-MRXNPFEDSA-N 1 2 372.494 2.542 20 30 FFEDLO N#Cc1ccc(-n2ccc(NCc3[nH+]ccn3CC(F)(F)F)n2)c(F)c1 ZINC000371628977 512500308 /nfs/dbraw/zinc/50/03/08/512500308.db2.gz ODEUGUIHJDCQBX-UHFFFAOYSA-N 1 2 364.306 2.676 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cs1 ZINC000411218226 512525214 /nfs/dbraw/zinc/52/52/14/512525214.db2.gz XWTOJWGWPZGNGC-UHFFFAOYSA-N 1 2 359.426 2.868 20 30 FFEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000411227441 512530800 /nfs/dbraw/zinc/53/08/00/512530800.db2.gz OZIJTRFRVVVRIY-ZDUSSCGKSA-N 1 2 350.260 2.899 20 30 FFEDLO CC1(C(=O)NCCn2cc[nH+]c2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000375924568 512571732 /nfs/dbraw/zinc/57/17/32/512571732.db2.gz JQYZQJGYHMFRFA-UHFFFAOYSA-N 1 2 371.872 2.831 20 30 FFEDLO Cc1cc(-c2noc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)n2)ccc1F ZINC000371835188 512596274 /nfs/dbraw/zinc/59/62/74/512596274.db2.gz RAJOEESJPZYNOA-DJJJIMSYSA-N 1 2 373.432 2.889 20 30 FFEDLO Cn1cccc1[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411556102 512687082 /nfs/dbraw/zinc/68/70/82/512687082.db2.gz SXCCGXFTOROGJU-SFHVURJKSA-N 1 2 372.856 2.952 20 30 FFEDLO Cn1cccc1[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411556102 512687088 /nfs/dbraw/zinc/68/70/88/512687088.db2.gz SXCCGXFTOROGJU-SFHVURJKSA-N 1 2 372.856 2.952 20 30 FFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1ccc(Cl)cc1 ZINC000367874786 512701265 /nfs/dbraw/zinc/70/12/65/512701265.db2.gz PYHSXRMQGBIWLG-ZBFHGGJFSA-N 1 2 365.842 2.528 20 30 FFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1ccc(Cl)cc1 ZINC000367874786 512701268 /nfs/dbraw/zinc/70/12/68/512701268.db2.gz PYHSXRMQGBIWLG-ZBFHGGJFSA-N 1 2 365.842 2.528 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411986873 512901892 /nfs/dbraw/zinc/90/18/92/512901892.db2.gz PDZFIOCGCPZEAA-GQWLDOHISA-N 1 2 369.465 2.539 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411986873 512901897 /nfs/dbraw/zinc/90/18/97/512901897.db2.gz PDZFIOCGCPZEAA-GQWLDOHISA-N 1 2 369.465 2.539 20 30 FFEDLO Cc1cc[nH+]c(C)c1NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000376619332 512903764 /nfs/dbraw/zinc/90/37/64/512903764.db2.gz UXRORFLHFKBKHP-UHFFFAOYSA-N 1 2 350.426 2.756 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000376739504 512966553 /nfs/dbraw/zinc/96/65/53/512966553.db2.gz ZJKOIZXLOICQNR-UHFFFAOYSA-N 1 2 374.897 2.970 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000376812904 512996950 /nfs/dbraw/zinc/99/69/50/512996950.db2.gz TYPLBUSMZVZGCK-SJLPKXTDSA-N 1 2 359.470 2.968 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000446059941 513174150 /nfs/dbraw/zinc/17/41/50/513174150.db2.gz GMQYNVKVYNBYQA-PBHICJAKSA-N 1 2 361.511 2.970 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000446059941 513174157 /nfs/dbraw/zinc/17/41/57/513174157.db2.gz GMQYNVKVYNBYQA-PBHICJAKSA-N 1 2 361.511 2.970 20 30 FFEDLO CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1C ZINC000428812072 513198026 /nfs/dbraw/zinc/19/80/26/513198026.db2.gz LUHHSXHWEVNPBW-KRWDZBQOSA-N 1 2 352.438 2.728 20 30 FFEDLO CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1C ZINC000428812072 513198031 /nfs/dbraw/zinc/19/80/31/513198031.db2.gz LUHHSXHWEVNPBW-KRWDZBQOSA-N 1 2 352.438 2.728 20 30 FFEDLO CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1C ZINC000428812073 513198343 /nfs/dbraw/zinc/19/83/43/513198343.db2.gz LUHHSXHWEVNPBW-QGZVFWFLSA-N 1 2 352.438 2.728 20 30 FFEDLO CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1C ZINC000428812073 513198349 /nfs/dbraw/zinc/19/83/49/513198349.db2.gz LUHHSXHWEVNPBW-QGZVFWFLSA-N 1 2 352.438 2.728 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000429014375 513254295 /nfs/dbraw/zinc/25/42/95/513254295.db2.gz WFJXBWGPVBUXDT-UONOGXRCSA-N 1 2 366.868 2.750 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000429014375 513254300 /nfs/dbraw/zinc/25/43/00/513254300.db2.gz WFJXBWGPVBUXDT-UONOGXRCSA-N 1 2 366.868 2.750 20 30 FFEDLO CC[C@@H](NC(=O)COc1cccc(Br)c1C#N)c1[nH]cc[nH+]1 ZINC000450677299 513300992 /nfs/dbraw/zinc/30/09/92/513300992.db2.gz YQWMSPACOUXPEQ-GFCCVEGCSA-N 1 2 363.215 2.690 20 30 FFEDLO COc1ccc(C#N)cc1C[NH+]1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000440487230 513332601 /nfs/dbraw/zinc/33/26/01/513332601.db2.gz ADHPJAWMGZBMJX-UHFFFAOYSA-N 1 2 369.469 2.565 20 30 FFEDLO N#Cc1cnc2c(Br)cccc2c1NCC[NH+]1CCOCC1 ZINC000440647344 513369696 /nfs/dbraw/zinc/36/96/96/513369696.db2.gz UUSSGRHSMFFTBE-UHFFFAOYSA-N 1 2 361.243 2.613 20 30 FFEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)c1ccco1 ZINC000450983915 513440155 /nfs/dbraw/zinc/44/01/55/513440155.db2.gz ZWJIZGWASUBNEQ-AWEZNQCLSA-N 1 2 367.858 2.580 20 30 FFEDLO Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)nc1 ZINC000447303700 513441782 /nfs/dbraw/zinc/44/17/82/513441782.db2.gz IRBIXCGCCQCOFX-SFHVURJKSA-N 1 2 350.422 2.664 20 30 FFEDLO Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)nc1 ZINC000447303700 513441791 /nfs/dbraw/zinc/44/17/91/513441791.db2.gz IRBIXCGCCQCOFX-SFHVURJKSA-N 1 2 350.422 2.664 20 30 FFEDLO Cc1cc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c(C#N)c[nH+]1 ZINC000425211098 513453777 /nfs/dbraw/zinc/45/37/77/513453777.db2.gz WQURHFHQSJCPKY-UHFFFAOYSA-N 1 2 359.433 2.634 20 30 FFEDLO COc1ccc(CCC(=O)N2CCN(c3cc(C)[nH+]cc3C#N)CC2)cc1 ZINC000425212456 513455376 /nfs/dbraw/zinc/45/53/76/513455376.db2.gz DYWLFWGSGVGXCH-UHFFFAOYSA-N 1 2 364.449 2.552 20 30 FFEDLO Cc1ccccc1[C@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000441459349 513574256 /nfs/dbraw/zinc/57/42/56/513574256.db2.gz VXQLGZOIRGWNKP-LAUBAEHRSA-N 1 2 363.461 2.945 20 30 FFEDLO Cc1ccccc1[C@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000441459349 513574261 /nfs/dbraw/zinc/57/42/61/513574261.db2.gz VXQLGZOIRGWNKP-LAUBAEHRSA-N 1 2 363.461 2.945 20 30 FFEDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H](C)O2 ZINC000447824491 513584036 /nfs/dbraw/zinc/58/40/36/513584036.db2.gz ARIBWNRHUHZGJE-VBHSOAQHSA-N 1 2 352.381 2.928 20 30 FFEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H](C)O2 ZINC000447824491 513584044 /nfs/dbraw/zinc/58/40/44/513584044.db2.gz ARIBWNRHUHZGJE-VBHSOAQHSA-N 1 2 352.381 2.928 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NCc2[nH+]ccn2CCc2ccccc2)s1 ZINC000435443198 513591075 /nfs/dbraw/zinc/59/10/75/513591075.db2.gz MOTZTVHEYWLAAK-UHFFFAOYSA-N 1 2 372.475 2.537 20 30 FFEDLO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000451408243 513728230 /nfs/dbraw/zinc/72/82/30/513728230.db2.gz NHHDIDNVKJHCNC-GXTWGEPZSA-N 1 2 360.401 2.995 20 30 FFEDLO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000451408243 513728235 /nfs/dbraw/zinc/72/82/35/513728235.db2.gz NHHDIDNVKJHCNC-GXTWGEPZSA-N 1 2 360.401 2.995 20 30 FFEDLO C[C@@H](C#N)S(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000416383874 513744556 /nfs/dbraw/zinc/74/45/56/513744556.db2.gz CXXZBLPNEXFGRN-XJKSGUPXSA-N 1 2 355.891 2.526 20 30 FFEDLO C[C@@H](C#N)S(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000416383874 513744559 /nfs/dbraw/zinc/74/45/59/513744559.db2.gz CXXZBLPNEXFGRN-XJKSGUPXSA-N 1 2 355.891 2.526 20 30 FFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422591061 513860674 /nfs/dbraw/zinc/86/06/74/513860674.db2.gz QKTZFIVYKZQVPB-UHFFFAOYSA-N 1 2 364.449 2.625 20 30 FFEDLO CS(=O)(=O)c1ccc(CNc2[nH+]cccc2OCCCC#N)s1 ZINC000414301726 514039315 /nfs/dbraw/zinc/03/93/15/514039315.db2.gz BCDJHGVUEXYLKJ-UHFFFAOYSA-N 1 2 351.453 2.841 20 30 FFEDLO C=CCCCC[C@@H](C)[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000449269458 514138774 /nfs/dbraw/zinc/13/87/74/514138774.db2.gz NHQAWITZXKOUGE-CYBMUJFWSA-N 1 2 371.469 2.572 20 30 FFEDLO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000432300248 514152107 /nfs/dbraw/zinc/15/21/07/514152107.db2.gz DSJOHXLPJSZLJG-KRWDZBQOSA-N 1 2 370.409 2.831 20 30 FFEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432736100 514271268 /nfs/dbraw/zinc/27/12/68/514271268.db2.gz SJUZZIKRGBFCSQ-UHFFFAOYSA-N 1 2 360.260 2.552 20 30 FFEDLO C=CCC[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C(=O)OCC ZINC000449653691 514283424 /nfs/dbraw/zinc/28/34/24/514283424.db2.gz CPJRDZNDZCBSKT-MRXNPFEDSA-N 1 2 371.437 2.835 20 30 FFEDLO N#Cc1csc(C[NH2+]C2(C(=O)[O-])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000417595155 514428893 /nfs/dbraw/zinc/42/88/93/514428893.db2.gz XJNOFDFCVHDYMA-UHFFFAOYSA-N 1 2 355.463 2.829 20 30 FFEDLO N#Cc1ccc(NC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)cc1F ZINC000455469005 514541680 /nfs/dbraw/zinc/54/16/80/514541680.db2.gz NWYUOFCWGHCYMY-UHFFFAOYSA-N 1 2 372.400 2.657 20 30 FFEDLO COC(=O)c1csc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000450262847 514571477 /nfs/dbraw/zinc/57/14/77/514571477.db2.gz UYWKIRWQKFBZCW-UHFFFAOYSA-N 1 2 356.451 2.514 20 30 FFEDLO COC(=O)c1csc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000450262847 514571479 /nfs/dbraw/zinc/57/14/79/514571479.db2.gz UYWKIRWQKFBZCW-UHFFFAOYSA-N 1 2 356.451 2.514 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(OC(F)F)cn3)CC2)cc1 ZINC000475377950 514640939 /nfs/dbraw/zinc/64/09/39/514640939.db2.gz CKMDVNVLVLASEK-UHFFFAOYSA-N 1 2 372.375 2.513 20 30 FFEDLO CC(C)(C)Oc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1C#N ZINC000455767468 514728554 /nfs/dbraw/zinc/72/85/54/514728554.db2.gz JOTJCNPRPRHUMB-QGZVFWFLSA-N 1 2 372.469 2.720 20 30 FFEDLO CC(C)(C)Oc1ccc(NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1C#N ZINC000455767468 514728565 /nfs/dbraw/zinc/72/85/65/514728565.db2.gz JOTJCNPRPRHUMB-QGZVFWFLSA-N 1 2 372.469 2.720 20 30 FFEDLO CC(C)(C)Oc1ccc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1C#N ZINC000455805359 514749776 /nfs/dbraw/zinc/74/97/76/514749776.db2.gz XOBBXIVLJUNHIY-UHFFFAOYSA-N 1 2 374.485 2.968 20 30 FFEDLO CC(C)(C)Oc1ccc(NC(=O)NCC[N@H+]2CCOCC2(C)C)cc1C#N ZINC000455805359 514749786 /nfs/dbraw/zinc/74/97/86/514749786.db2.gz XOBBXIVLJUNHIY-UHFFFAOYSA-N 1 2 374.485 2.968 20 30 FFEDLO CC(C)(C)c1cccc(OCCN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000471235699 514808601 /nfs/dbraw/zinc/80/86/01/514808601.db2.gz TXBVOYWUSDJPAV-UHFFFAOYSA-N 1 2 359.514 2.911 20 30 FFEDLO COCc1ccsc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000484950673 514854912 /nfs/dbraw/zinc/85/49/12/514854912.db2.gz ZVEWUMDLPIFERV-UHFFFAOYSA-N 1 2 355.463 2.724 20 30 FFEDLO C=CCCCS(=O)(=O)N[C@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000489689200 514939042 /nfs/dbraw/zinc/93/90/42/514939042.db2.gz SSKPUMSQRCSQRC-MOPGFXCFSA-N 1 2 366.527 2.552 20 30 FFEDLO C=CCCCS(=O)(=O)N[C@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000489689200 514939054 /nfs/dbraw/zinc/93/90/54/514939054.db2.gz SSKPUMSQRCSQRC-MOPGFXCFSA-N 1 2 366.527 2.552 20 30 FFEDLO C=C(CC)CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000458604721 514946697 /nfs/dbraw/zinc/94/66/97/514946697.db2.gz IUWZIWFJXZOULY-IRXDYDNUSA-N 1 2 351.878 2.977 20 30 FFEDLO C=C(CC)CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000458604721 514946704 /nfs/dbraw/zinc/94/67/04/514946704.db2.gz IUWZIWFJXZOULY-IRXDYDNUSA-N 1 2 351.878 2.977 20 30 FFEDLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000476238752 514961148 /nfs/dbraw/zinc/96/11/48/514961148.db2.gz ZPCJRZKKXNKTSL-HNNXBMFYSA-N 1 2 350.260 2.958 20 30 FFEDLO C=CCSc1ccccc1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000485470072 515053178 /nfs/dbraw/zinc/05/31/78/515053178.db2.gz WJDLRJLQXSKRFW-UHFFFAOYSA-N 1 2 372.494 2.746 20 30 FFEDLO C[C@@H](C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1)c1cccc(C#N)c1 ZINC000462464913 515065858 /nfs/dbraw/zinc/06/58/58/515065858.db2.gz QBPMECPILFOQFY-RDTXWAMCSA-N 1 2 352.438 2.679 20 30 FFEDLO C=CCOCC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000498796037 515069400 /nfs/dbraw/zinc/06/94/00/515069400.db2.gz KFOCBSGLKFIWJY-UHFFFAOYSA-N 1 2 357.281 2.883 20 30 FFEDLO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)c2[nH+]ccn21 ZINC000453987795 515100029 /nfs/dbraw/zinc/10/00/29/515100029.db2.gz XZRHPWOEQUABNQ-ZWNOBZJWSA-N 1 2 371.466 2.874 20 30 FFEDLO C[C@@H](C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1)c1cccc(C#N)c1 ZINC000462560281 515123565 /nfs/dbraw/zinc/12/35/65/515123565.db2.gz ZQLFMENCBLPGKW-CRAIPNDOSA-N 1 2 364.449 2.803 20 30 FFEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000509482031 515198959 /nfs/dbraw/zinc/19/89/59/515198959.db2.gz XZZLQTGHZFXCQN-HXUWFJFHSA-N 1 2 368.437 2.955 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000481430493 515326293 /nfs/dbraw/zinc/32/62/93/515326293.db2.gz BNGIAUWJNNWOIF-DCPHZVHLSA-N 1 2 371.460 2.681 20 30 FFEDLO COc1ncc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c(C)n1 ZINC000499776891 515449768 /nfs/dbraw/zinc/44/97/68/515449768.db2.gz XSBWPKDYNYZCEN-GOSISDBHSA-N 1 2 371.872 2.830 20 30 FFEDLO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459343961 515485486 /nfs/dbraw/zinc/48/54/86/515485486.db2.gz MCTYZQILEGVZGR-CQSZACIVSA-N 1 2 358.442 2.841 20 30 FFEDLO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459343961 515485493 /nfs/dbraw/zinc/48/54/93/515485493.db2.gz MCTYZQILEGVZGR-CQSZACIVSA-N 1 2 358.442 2.841 20 30 FFEDLO Cc1c(C#N)cccc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000510466635 515547173 /nfs/dbraw/zinc/54/71/73/515547173.db2.gz YRCMKBWJLLLYAR-GJZGRUSLSA-N 1 2 364.449 2.805 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccccc1Br ZINC000468881431 515563205 /nfs/dbraw/zinc/56/32/05/515563205.db2.gz HHZQTYIBWKMATE-GFCCVEGCSA-N 1 2 350.260 2.832 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccccc1Br ZINC000468881431 515563218 /nfs/dbraw/zinc/56/32/18/515563218.db2.gz HHZQTYIBWKMATE-GFCCVEGCSA-N 1 2 350.260 2.832 20 30 FFEDLO N#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1F ZINC000505912223 515721389 /nfs/dbraw/zinc/72/13/89/515721389.db2.gz JWXBZCWHZWNDHH-OAHLLOKOSA-N 1 2 365.324 2.914 20 30 FFEDLO COc1ccccc1[C@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCC1)c1ccco1 ZINC000469247497 515740531 /nfs/dbraw/zinc/74/05/31/515740531.db2.gz MXTKPFDEVQJCNI-KDOFPFPSSA-N 1 2 353.422 2.918 20 30 FFEDLO N#Cc1cccc(F)c1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000506059459 515765174 /nfs/dbraw/zinc/76/51/74/515765174.db2.gz HXCNIPYVNTXUMX-UHFFFAOYSA-N 1 2 353.397 2.711 20 30 FFEDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000506688487 515955535 /nfs/dbraw/zinc/95/55/35/515955535.db2.gz GPEGVODLLAKHQH-UHFFFAOYSA-N 1 2 367.409 2.582 20 30 FFEDLO N#Cc1cccc(F)c1CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000506824797 515997488 /nfs/dbraw/zinc/99/74/88/515997488.db2.gz ZMOZENPERMEFKK-UHFFFAOYSA-N 1 2 352.344 2.881 20 30 FFEDLO C=CCC1(NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCCCC1 ZINC000457650478 516038305 /nfs/dbraw/zinc/03/83/05/516038305.db2.gz LHANQYBRTSCTDA-UHFFFAOYSA-N 1 2 358.486 2.996 20 30 FFEDLO Cc1cc(C[NH+]2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)ccc1C#N ZINC000488177599 516146374 /nfs/dbraw/zinc/14/63/74/516146374.db2.gz DAVRHUAJEVUCKS-UTKZUKDTSA-N 1 2 368.525 2.679 20 30 FFEDLO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000470173096 516160134 /nfs/dbraw/zinc/16/01/34/516160134.db2.gz HUIQUFOGHNRVKB-SAPNQHFASA-N 1 2 358.442 2.546 20 30 FFEDLO C[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000507305125 516165637 /nfs/dbraw/zinc/16/56/37/516165637.db2.gz UFHWNABBDCZVCU-VCBZYWHSSA-N 1 2 360.458 2.554 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(CO)o1 ZINC000512201730 516194978 /nfs/dbraw/zinc/19/49/78/516194978.db2.gz ZIACCXCOSJRMPV-UHFFFAOYSA-N 1 2 371.437 2.747 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(CO)o1 ZINC000512201730 516194985 /nfs/dbraw/zinc/19/49/85/516194985.db2.gz ZIACCXCOSJRMPV-UHFFFAOYSA-N 1 2 371.437 2.747 20 30 FFEDLO Cc1cccc(C)c1OC[C@H](O)C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000460600761 516200846 /nfs/dbraw/zinc/20/08/46/516200846.db2.gz WCPDXDZCSXDCIS-GOSISDBHSA-N 1 2 352.434 2.678 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000488392019 516213150 /nfs/dbraw/zinc/21/31/50/516213150.db2.gz CWHABXKBUQYROD-LJQANCHMSA-N 1 2 353.466 2.786 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000507447046 516213587 /nfs/dbraw/zinc/21/35/87/516213587.db2.gz VDFBCYNHUHTITH-QGZVFWFLSA-N 1 2 368.437 2.581 20 30 FFEDLO Cc1ccc([C@H](CNC(=O)NCC(C)(C)CC#N)[NH+]2CCOCC2)cc1 ZINC000457948163 516247089 /nfs/dbraw/zinc/24/70/89/516247089.db2.gz ZDGJIQLKUZCWAG-SFHVURJKSA-N 1 2 358.486 2.607 20 30 FFEDLO NC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000484094884 516295777 /nfs/dbraw/zinc/29/57/77/516295777.db2.gz HWDAIRSXRCLCAD-FQEVSTJZSA-N 1 2 367.880 2.536 20 30 FFEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)NCC1CCN(CC#N)CC1 ZINC000539888662 516341409 /nfs/dbraw/zinc/34/14/09/516341409.db2.gz FKAKCOKOTPVMPZ-UHFFFAOYSA-N 1 2 367.497 2.731 20 30 FFEDLO COc1nc2ccccc2cc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000539908295 516347088 /nfs/dbraw/zinc/34/70/88/516347088.db2.gz NSPLJTMRZNDUKI-OAHLLOKOSA-N 1 2 374.448 2.616 20 30 FFEDLO COc1nc2ccccc2cc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000539908295 516347095 /nfs/dbraw/zinc/34/70/95/516347095.db2.gz NSPLJTMRZNDUKI-OAHLLOKOSA-N 1 2 374.448 2.616 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000528369572 516385412 /nfs/dbraw/zinc/38/54/12/516385412.db2.gz SJIFRWHVFOJGQK-OXQOHEQNSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000528369572 516385417 /nfs/dbraw/zinc/38/54/17/516385417.db2.gz SJIFRWHVFOJGQK-OXQOHEQNSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000528370472 516387057 /nfs/dbraw/zinc/38/70/57/516387057.db2.gz ZMYOAYFRAHRHSH-UYAOXDASSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000528370472 516387062 /nfs/dbraw/zinc/38/70/62/516387062.db2.gz ZMYOAYFRAHRHSH-UYAOXDASSA-N 1 2 356.397 2.511 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000528387232 516399518 /nfs/dbraw/zinc/39/95/18/516399518.db2.gz FJPZLHPIAIKGMY-VMRPVKRXSA-N 1 2 370.424 2.899 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000528387232 516399529 /nfs/dbraw/zinc/39/95/29/516399529.db2.gz FJPZLHPIAIKGMY-VMRPVKRXSA-N 1 2 370.424 2.899 20 30 FFEDLO COc1cc(C[NH+]2CCN(Cc3cccc(C#N)c3)CC2)cc(OC)c1 ZINC000531342467 516417994 /nfs/dbraw/zinc/41/79/94/516417994.db2.gz ZXCZYAMNNWMSJY-UHFFFAOYSA-N 1 2 351.450 2.893 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c(C)o1 ZINC000523527234 516496249 /nfs/dbraw/zinc/49/62/49/516496249.db2.gz ROQKKQQDNDVKSC-UHFFFAOYSA-N 1 2 357.385 2.708 20 30 FFEDLO CCOc1cccc(N2CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)n1 ZINC000517943783 516501530 /nfs/dbraw/zinc/50/15/30/516501530.db2.gz RHCDWEUEUGBGIX-UHFFFAOYSA-N 1 2 367.409 2.582 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H](N2CC[NH+](Cc3ccsc3)CC2)C1=O ZINC000536020545 516596728 /nfs/dbraw/zinc/59/67/28/516596728.db2.gz HZNOHXYUGYQONB-MRXNPFEDSA-N 1 2 372.519 2.604 20 30 FFEDLO CCOCC[NH+]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000518405390 516647859 /nfs/dbraw/zinc/64/78/59/516647859.db2.gz KYEUXNDUBWJZPT-UHFFFAOYSA-N 1 2 362.473 2.881 20 30 FFEDLO C=CCCCCCN(C)C(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000558332952 516694043 /nfs/dbraw/zinc/69/40/43/516694043.db2.gz ROWUEBOZLXYMFV-UHFFFAOYSA-N 1 2 354.454 2.693 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C#N)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000528899242 516781606 /nfs/dbraw/zinc/78/16/06/516781606.db2.gz HTSNIPBMALYNFA-HKUYNNGSSA-N 1 2 372.831 2.850 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)Cc2ccc(C#N)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000528899242 516781616 /nfs/dbraw/zinc/78/16/16/516781616.db2.gz HTSNIPBMALYNFA-HKUYNNGSSA-N 1 2 372.831 2.850 20 30 FFEDLO Cc1ccc(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c(Br)c1 ZINC000518986484 516844046 /nfs/dbraw/zinc/84/40/46/516844046.db2.gz PLVKFNCFDUMMRV-INIZCTEOSA-N 1 2 352.276 2.650 20 30 FFEDLO CN(C)c1[nH]c2ccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2[nH+]1 ZINC000555318142 516878003 /nfs/dbraw/zinc/87/80/03/516878003.db2.gz VIMZFLLECPVQDJ-HNNXBMFYSA-N 1 2 358.405 2.822 20 30 FFEDLO CC(=O)NCC[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(C)s1 ZINC000558729092 516915189 /nfs/dbraw/zinc/91/51/89/516915189.db2.gz FCYIDUNHHFBSQN-UHFFFAOYSA-N 1 2 370.478 2.505 20 30 FFEDLO CC(=O)NCC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(C)s1 ZINC000558729092 516915196 /nfs/dbraw/zinc/91/51/96/516915196.db2.gz FCYIDUNHHFBSQN-UHFFFAOYSA-N 1 2 370.478 2.505 20 30 FFEDLO Cc1cccc(S(=O)(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1C#N ZINC000541192382 516921531 /nfs/dbraw/zinc/92/15/31/516921531.db2.gz LUOGOCLZWTYSFX-UHFFFAOYSA-N 1 2 372.494 2.944 20 30 FFEDLO N#Cc1ccc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000562202438 516956288 /nfs/dbraw/zinc/95/62/88/516956288.db2.gz YSVFHRZKVLTLPW-AWEZNQCLSA-N 1 2 358.385 2.729 20 30 FFEDLO N#Cc1ccc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000562202438 516956298 /nfs/dbraw/zinc/95/62/98/516956298.db2.gz YSVFHRZKVLTLPW-AWEZNQCLSA-N 1 2 358.385 2.729 20 30 FFEDLO CC(C)N(C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1)C1CCCC1 ZINC000532413190 516961726 /nfs/dbraw/zinc/96/17/26/516961726.db2.gz JWSZNQIWCRJGGX-UHFFFAOYSA-N 1 2 372.488 2.999 20 30 FFEDLO N#Cc1ccccc1OC1CCC(NC(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000562258626 516991599 /nfs/dbraw/zinc/99/15/99/516991599.db2.gz NVJZSHAIOQXDCV-UHFFFAOYSA-N 1 2 365.437 2.670 20 30 FFEDLO CCN(CC)c1ncc(C[NH+]2CCN(c3cnccc3C#N)CC2)s1 ZINC000519517360 517020230 /nfs/dbraw/zinc/02/02/30/517020230.db2.gz UEJJYOVCJBVASO-UHFFFAOYSA-N 1 2 356.499 2.578 20 30 FFEDLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C#N)o2)s1 ZINC000537301388 517135227 /nfs/dbraw/zinc/13/52/27/517135227.db2.gz GQZPUXYGOUCTTL-UHFFFAOYSA-N 1 2 353.469 2.533 20 30 FFEDLO N#Cc1cccc(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)c1 ZINC000559261778 517138295 /nfs/dbraw/zinc/13/82/95/517138295.db2.gz ZMBWRPQJOMACOU-GOSISDBHSA-N 1 2 365.437 2.528 20 30 FFEDLO N#Cc1cccc(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)c1 ZINC000559261778 517138304 /nfs/dbraw/zinc/13/83/04/517138304.db2.gz ZMBWRPQJOMACOU-GOSISDBHSA-N 1 2 365.437 2.528 20 30 FFEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000519713591 517142086 /nfs/dbraw/zinc/14/20/86/517142086.db2.gz UZXDWSKYODTQEN-MRXNPFEDSA-N 1 2 357.454 2.625 20 30 FFEDLO CSCc1cnc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 ZINC000559301198 517164903 /nfs/dbraw/zinc/16/49/03/517164903.db2.gz XRBHPIIEMVGVNQ-MRXNPFEDSA-N 1 2 372.519 2.768 20 30 FFEDLO CC(C)N(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000525862928 517206038 /nfs/dbraw/zinc/20/60/38/517206038.db2.gz DUZWZRGUDDVXES-UHFFFAOYSA-N 1 2 367.453 2.852 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCN(c4ccccc4)C3)CC2)cc1 ZINC000556126363 517278254 /nfs/dbraw/zinc/27/82/54/517278254.db2.gz UHGQXSYTBNIRMJ-NRFANRHFSA-N 1 2 374.488 2.729 20 30 FFEDLO C=CCc1cc(C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc(OC)c1O ZINC000562661802 517280824 /nfs/dbraw/zinc/28/08/24/517280824.db2.gz MKJALSCMBACSQT-IBGZPJMESA-N 1 2 365.495 2.530 20 30 FFEDLO C=CCc1cc(C[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc(OC)c1O ZINC000562661802 517280833 /nfs/dbraw/zinc/28/08/33/517280833.db2.gz MKJALSCMBACSQT-IBGZPJMESA-N 1 2 365.495 2.530 20 30 FFEDLO C=CC[N@H+](Cc1nc(C2CC2)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520196026 517297336 /nfs/dbraw/zinc/29/73/36/517297336.db2.gz VCAWYIYGCNMFAJ-ZDUSSCGKSA-N 1 2 351.414 2.672 20 30 FFEDLO C=CC[N@@H+](Cc1nc(C2CC2)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520196026 517297348 /nfs/dbraw/zinc/29/73/48/517297348.db2.gz VCAWYIYGCNMFAJ-ZDUSSCGKSA-N 1 2 351.414 2.672 20 30 FFEDLO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c2[nH+]ccn21 ZINC000562731660 517350241 /nfs/dbraw/zinc/35/02/41/517350241.db2.gz XUGGXIPBNKOHGN-TVQRCGJNSA-N 1 2 370.356 2.758 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c1C#N ZINC000545924347 517438371 /nfs/dbraw/zinc/43/83/71/517438371.db2.gz AZXSZCDSHLVKNK-HNNXBMFYSA-N 1 2 358.438 2.899 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c1C#N ZINC000545924347 517438378 /nfs/dbraw/zinc/43/83/78/517438378.db2.gz AZXSZCDSHLVKNK-HNNXBMFYSA-N 1 2 358.438 2.899 20 30 FFEDLO N#Cc1cccnc1OC1CCC(Nc2nc(N)c3ccccc3[nH+]2)CC1 ZINC000527075137 517490704 /nfs/dbraw/zinc/49/07/04/517490704.db2.gz UIHYIMIVAIPETL-UHFFFAOYSA-N 1 2 360.421 2.533 20 30 FFEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2nnc(-c3ccco3)o2)C2CC2)cc1 ZINC000542316170 517501459 /nfs/dbraw/zinc/50/14/59/517501459.db2.gz OUIFLMCTLWXKCQ-UHFFFAOYSA-N 1 2 363.377 2.804 20 30 FFEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2nnc(-c3ccco3)o2)C2CC2)cc1 ZINC000542316170 517501464 /nfs/dbraw/zinc/50/14/64/517501464.db2.gz OUIFLMCTLWXKCQ-UHFFFAOYSA-N 1 2 363.377 2.804 20 30 FFEDLO C=CCCOCCCCC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000538296640 517548791 /nfs/dbraw/zinc/54/87/91/517548791.db2.gz WVFJUFWQSUQBSC-UHFFFAOYSA-N 1 2 351.516 2.940 20 30 FFEDLO C=CCCOCCCCC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000538296640 517548801 /nfs/dbraw/zinc/54/88/01/517548801.db2.gz WVFJUFWQSUQBSC-UHFFFAOYSA-N 1 2 351.516 2.940 20 30 FFEDLO C=CC[C@H](CO)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000553261435 517608537 /nfs/dbraw/zinc/60/85/37/517608537.db2.gz BQIWBJJCYYRLBF-BBRMVZONSA-N 1 2 362.861 2.647 20 30 FFEDLO C=CCCCCCNC(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000516193777 517613276 /nfs/dbraw/zinc/61/32/76/517613276.db2.gz QLRDJVJTXGFPKE-QGZVFWFLSA-N 1 2 372.513 2.788 20 30 FFEDLO C=C(C)Cn1c(C2CCC2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000549654843 517650931 /nfs/dbraw/zinc/65/09/31/517650931.db2.gz FGBFYTNSUUMBOU-UHFFFAOYSA-N 1 2 352.486 2.839 20 30 FFEDLO Cc1[nH][nH]c(=NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)c1C#N ZINC000530265383 517667053 /nfs/dbraw/zinc/66/70/53/517667053.db2.gz DQKBAZYHSPSQKQ-IEBWSBKVSA-N 1 2 365.481 2.745 20 30 FFEDLO Cc1[nH][nH]c(=NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)c1C#N ZINC000530265383 517667064 /nfs/dbraw/zinc/66/70/64/517667064.db2.gz DQKBAZYHSPSQKQ-IEBWSBKVSA-N 1 2 365.481 2.745 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](Cc3nnnn3Cc3ccccc3)CC2)cc1 ZINC000556800448 517667135 /nfs/dbraw/zinc/66/71/35/517667135.db2.gz ITXHDDAJHHMTNA-UHFFFAOYSA-N 1 2 374.448 2.636 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000553413072 517700595 /nfs/dbraw/zinc/70/05/95/517700595.db2.gz QROTXHXXUVCXSX-UHFFFAOYSA-N 1 2 352.394 2.571 20 30 FFEDLO CN1CC[NH+]([C@@H](C(=O)N2CCC(CCC#N)CC2)c2ccccc2)CC1 ZINC000563187580 517722694 /nfs/dbraw/zinc/72/26/94/517722694.db2.gz XPQKUIURMSBMEH-HXUWFJFHSA-N 1 2 354.498 2.517 20 30 FFEDLO Cc1nn(C)c(N2CCN(c3cc(C)[nH+]c4c(F)cccc34)CC2)c1C#N ZINC000530359726 517726548 /nfs/dbraw/zinc/72/65/48/517726548.db2.gz WSKVKUOGCHTBQM-UHFFFAOYSA-N 1 2 364.428 2.923 20 30 FFEDLO Cc1c(Cl)cnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1C#N ZINC000516599099 517760193 /nfs/dbraw/zinc/76/01/93/517760193.db2.gz VGAUDPUXKKBUKP-MRXNPFEDSA-N 1 2 356.857 2.650 20 30 FFEDLO Cc1c(Cl)cnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1C#N ZINC000516599099 517760204 /nfs/dbraw/zinc/76/02/04/517760204.db2.gz VGAUDPUXKKBUKP-MRXNPFEDSA-N 1 2 356.857 2.650 20 30 FFEDLO C[C@H]1C[C@@H](NC(=O)N(C)CCOCc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000516625662 517776748 /nfs/dbraw/zinc/77/67/48/517776748.db2.gz DPYOYDDKOHEIHQ-WMLDXEAASA-N 1 2 353.426 2.619 20 30 FFEDLO CC1(C)C[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C(C)(C)O1 ZINC000527687361 517846892 /nfs/dbraw/zinc/84/68/92/517846892.db2.gz JPPRDIDCKVOPSL-GOSISDBHSA-N 1 2 355.482 2.796 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000557112919 517858316 /nfs/dbraw/zinc/85/83/16/517858316.db2.gz WDUUYXXJUILVTL-UHFFFAOYSA-N 1 2 359.433 2.799 20 30 FFEDLO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c2[nH+]ccn21 ZINC000521824284 517861778 /nfs/dbraw/zinc/86/17/78/517861778.db2.gz QJYVXJMFAZDZPM-XPKDYRNWSA-N 1 2 353.401 2.542 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000534559345 517942116 /nfs/dbraw/zinc/94/21/16/517942116.db2.gz HTAJZMPHKOCUOI-MRXNPFEDSA-N 1 2 358.486 2.841 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000534559345 517942124 /nfs/dbraw/zinc/94/21/24/517942124.db2.gz HTAJZMPHKOCUOI-MRXNPFEDSA-N 1 2 358.486 2.841 20 30 FFEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)c2cnccc2C#N)CC1 ZINC000554019514 518029130 /nfs/dbraw/zinc/02/91/30/518029130.db2.gz XFRDCIWTFOXZGV-UHFFFAOYSA-N 1 2 354.841 2.873 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(OCc3ccccc3)nc2)C1=O ZINC000563633014 518037337 /nfs/dbraw/zinc/03/73/37/518037337.db2.gz XAGSUJPSUGULBW-LJQANCHMSA-N 1 2 351.450 2.879 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3ccccc3)nc2)C1=O ZINC000563633014 518037344 /nfs/dbraw/zinc/03/73/44/518037344.db2.gz XAGSUJPSUGULBW-LJQANCHMSA-N 1 2 351.450 2.879 20 30 FFEDLO COC(=O)[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)C ZINC000547298887 518064740 /nfs/dbraw/zinc/06/47/40/518064740.db2.gz LGCMSWLSMNYVFW-INIZCTEOSA-N 1 2 363.483 2.614 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](C)[C@H](CO)c2ccc(OC)cc2)c1C#N ZINC000535204491 518165156 /nfs/dbraw/zinc/16/51/56/518165156.db2.gz CLUWFDWHCPWHAG-LJQANCHMSA-N 1 2 354.406 2.519 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](C)[C@H](CO)c2ccc(OC)cc2)c1C#N ZINC000535204491 518165159 /nfs/dbraw/zinc/16/51/59/518165159.db2.gz CLUWFDWHCPWHAG-LJQANCHMSA-N 1 2 354.406 2.519 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(CN2CCc3ccccc32)cc1 ZINC000566851228 518232512 /nfs/dbraw/zinc/23/25/12/518232512.db2.gz QJVXOXDRTIRWEK-OAQYLSRUSA-N 1 2 364.493 2.868 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(CN2CCc3ccccc32)cc1 ZINC000566851228 518232518 /nfs/dbraw/zinc/23/25/18/518232518.db2.gz QJVXOXDRTIRWEK-OAQYLSRUSA-N 1 2 364.493 2.868 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(NC(=O)c2cccs2)cc1 ZINC000563953269 518245270 /nfs/dbraw/zinc/24/52/70/518245270.db2.gz GFOXOOQEDHESTG-MRXNPFEDSA-N 1 2 358.467 2.619 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(NC(=O)c2cccs2)cc1 ZINC000563953269 518245277 /nfs/dbraw/zinc/24/52/77/518245277.db2.gz GFOXOOQEDHESTG-MRXNPFEDSA-N 1 2 358.467 2.619 20 30 FFEDLO N#Cc1csc(C[NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)n1 ZINC000578663214 518316928 /nfs/dbraw/zinc/31/69/28/518316928.db2.gz QKSBOFNHRYGMFS-SECBINFHSA-N 1 2 350.806 2.702 20 30 FFEDLO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572769314 518352910 /nfs/dbraw/zinc/35/29/10/518352910.db2.gz WMHHROKVKRPNRV-ZBEGNZNMSA-N 1 2 370.266 2.727 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)C1CC1 ZINC000578800668 518378033 /nfs/dbraw/zinc/37/80/33/518378033.db2.gz UCFVQWLKHVCKSX-LJQANCHMSA-N 1 2 365.437 2.668 20 30 FFEDLO COC(=O)c1ccc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)c(C#N)n1 ZINC000576122102 518439351 /nfs/dbraw/zinc/43/93/51/518439351.db2.gz WLNUCVAFXOUETI-MRXNPFEDSA-N 1 2 360.364 2.733 20 30 FFEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccc(I)c1 ZINC000582011388 518546552 /nfs/dbraw/zinc/54/65/52/518546552.db2.gz AGFBXINEVHKOFD-ZYHUDNBSSA-N 1 2 371.222 2.900 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000585754051 518585483 /nfs/dbraw/zinc/58/54/83/518585483.db2.gz PCBZPYMHYGJQGM-UHFFFAOYSA-N 1 2 369.490 2.675 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000585754051 518585488 /nfs/dbraw/zinc/58/54/88/518585488.db2.gz PCBZPYMHYGJQGM-UHFFFAOYSA-N 1 2 369.490 2.675 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 ZINC000570401049 518588136 /nfs/dbraw/zinc/58/81/36/518588136.db2.gz FCQXEZSKTJFRRJ-HXUWFJFHSA-N 1 2 369.469 2.899 20 30 FFEDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3ccc(Cl)cc3C#N)cn2c1 ZINC000567656954 518635224 /nfs/dbraw/zinc/63/52/24/518635224.db2.gz YJBDIQKJNVTVHE-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3nc(C(F)(F)F)ns3)CC2)cc1 ZINC000586986138 518674697 /nfs/dbraw/zinc/67/46/97/518674697.db2.gz JBADUBQOUXXGHN-UHFFFAOYSA-N 1 2 353.373 2.751 20 30 FFEDLO Cc1nc(C[N@@H+]2CCCN(c3ncc4c(c3C#N)CCC4)CC2)cs1 ZINC000567718947 518674782 /nfs/dbraw/zinc/67/47/82/518674782.db2.gz IFCQJXVGELBPNY-UHFFFAOYSA-N 1 2 353.495 2.919 20 30 FFEDLO Cc1nc(C[N@H+]2CCCN(c3ncc4c(c3C#N)CCC4)CC2)cs1 ZINC000567718947 518674785 /nfs/dbraw/zinc/67/47/85/518674785.db2.gz IFCQJXVGELBPNY-UHFFFAOYSA-N 1 2 353.495 2.919 20 30 FFEDLO CC[C@@H](C(=O)OC)[NH+]1CCN(c2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000564891758 518680116 /nfs/dbraw/zinc/68/01/16/518680116.db2.gz ZXNXLWQWAIQJMV-INIZCTEOSA-N 1 2 372.856 2.833 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H](C)[S@]1=O ZINC000582328380 518698084 /nfs/dbraw/zinc/69/80/84/518698084.db2.gz WNKUROABZHTUKT-FDJUKIRMSA-N 1 2 371.510 2.590 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H](C)[S@]1=O ZINC000582328380 518698090 /nfs/dbraw/zinc/69/80/90/518698090.db2.gz WNKUROABZHTUKT-FDJUKIRMSA-N 1 2 371.510 2.590 20 30 FFEDLO C[C@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H]1C(=O)OC(C)(C)C ZINC000573608665 518748627 /nfs/dbraw/zinc/74/86/27/518748627.db2.gz AOQMLZPYJYWEOE-BBRMVZONSA-N 1 2 355.442 2.543 20 30 FFEDLO C[C@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H]1C(=O)OC(C)(C)C ZINC000573608665 518748632 /nfs/dbraw/zinc/74/86/32/518748632.db2.gz AOQMLZPYJYWEOE-BBRMVZONSA-N 1 2 355.442 2.543 20 30 FFEDLO CC#CC[N@@H+](C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1 ZINC000573745925 518816184 /nfs/dbraw/zinc/81/61/84/518816184.db2.gz GSQQYBQEYNBKFO-LJQANCHMSA-N 1 2 365.433 2.921 20 30 FFEDLO CC#CC[N@H+](C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1 ZINC000573745925 518816188 /nfs/dbraw/zinc/81/61/88/518816188.db2.gz GSQQYBQEYNBKFO-LJQANCHMSA-N 1 2 365.433 2.921 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000582729328 518893479 /nfs/dbraw/zinc/89/34/79/518893479.db2.gz ANKUTOSUEDUZKL-UWJYYQICSA-N 1 2 355.482 2.965 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000582729328 518893482 /nfs/dbraw/zinc/89/34/82/518893482.db2.gz ANKUTOSUEDUZKL-UWJYYQICSA-N 1 2 355.482 2.965 20 30 FFEDLO Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000571106364 518929550 /nfs/dbraw/zinc/92/95/50/518929550.db2.gz GNKPYGULUUQOKE-ZIAGYGMSSA-N 1 2 359.857 2.944 20 30 FFEDLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000589300444 518975589 /nfs/dbraw/zinc/97/55/89/518975589.db2.gz COECYGLATHATJX-MGPUTAFESA-N 1 2 355.482 2.985 20 30 FFEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000589300444 518975594 /nfs/dbraw/zinc/97/55/94/518975594.db2.gz COECYGLATHATJX-MGPUTAFESA-N 1 2 355.482 2.985 20 30 FFEDLO Cc1nc([C@](C)([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C2CC2)no1 ZINC000577459537 519088637 /nfs/dbraw/zinc/08/86/37/519088637.db2.gz HXCYEIKNDUWOEI-FXAWDEMLSA-N 1 2 365.437 2.660 20 30 FFEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)NC[C@H]1CCCN(CC#N)C1 ZINC000571450312 519101735 /nfs/dbraw/zinc/10/17/35/519101735.db2.gz CDGAVKSGPWXKFB-QGZVFWFLSA-N 1 2 367.497 2.731 20 30 FFEDLO C=CCCC1(C(=O)N2CCC[C@@H](c3n[nH]cc3C[NH+]3CCOCC3)C2)CC1 ZINC000580342563 519126535 /nfs/dbraw/zinc/12/65/35/519126535.db2.gz BVMMFKDFHCPHTA-QGZVFWFLSA-N 1 2 372.513 2.694 20 30 FFEDLO Cc1cc(SCC(=O)N2CC[NH+](Cc3ccco3)CC2)ccc1C#N ZINC000574400163 519137313 /nfs/dbraw/zinc/13/73/13/519137313.db2.gz LNPFZUOOJRCEJL-UHFFFAOYSA-N 1 2 355.463 2.896 20 30 FFEDLO N#CC1(CC(=O)N2CCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)CC2)CC1 ZINC000590266269 519183336 /nfs/dbraw/zinc/18/33/36/519183336.db2.gz JGAUXRRHODKBLJ-UHFFFAOYSA-N 1 2 371.872 2.716 20 30 FFEDLO N#CC1(CC(=O)N2CCC[N@H+](Cc3cn4cc(Cl)ccc4n3)CC2)CC1 ZINC000590266269 519183344 /nfs/dbraw/zinc/18/33/44/519183344.db2.gz JGAUXRRHODKBLJ-UHFFFAOYSA-N 1 2 371.872 2.716 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000590295912 519190574 /nfs/dbraw/zinc/19/05/74/519190574.db2.gz TZXAJZVQQCBLTF-GOSISDBHSA-N 1 2 359.514 2.626 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2ccccc2OC)CC1 ZINC000590295912 519190580 /nfs/dbraw/zinc/19/05/80/519190580.db2.gz TZXAJZVQQCBLTF-GOSISDBHSA-N 1 2 359.514 2.626 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000571631034 519190885 /nfs/dbraw/zinc/19/08/85/519190885.db2.gz VEEMBAWQURYTSN-UHFFFAOYSA-N 1 2 362.412 2.600 20 30 FFEDLO CCOc1cccc(C[N@H+](CCO)Cc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000571646580 519200432 /nfs/dbraw/zinc/20/04/32/519200432.db2.gz UFFJNKDHFXFWOJ-UHFFFAOYSA-N 1 2 355.394 2.860 20 30 FFEDLO CCOc1cccc(C[N@@H+](CCO)Cc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000571646580 519200440 /nfs/dbraw/zinc/20/04/40/519200440.db2.gz UFFJNKDHFXFWOJ-UHFFFAOYSA-N 1 2 355.394 2.860 20 30 FFEDLO Cc1cc(C)c(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)[nH+]1 ZINC000583365058 519208974 /nfs/dbraw/zinc/20/89/74/519208974.db2.gz VGPRMPPIDVGLSU-MRXNPFEDSA-N 1 2 351.410 2.959 20 30 FFEDLO CC(C)Oc1cccc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000565972865 519223258 /nfs/dbraw/zinc/22/32/58/519223258.db2.gz MSOXRYPXGCKUSF-UHFFFAOYSA-N 1 2 373.478 2.646 20 30 FFEDLO CC(C)Oc1cccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000565972865 519223262 /nfs/dbraw/zinc/22/32/62/519223262.db2.gz MSOXRYPXGCKUSF-UHFFFAOYSA-N 1 2 373.478 2.646 20 30 FFEDLO Cc1cc(N2CCC[C@@H]2C[C@H](C)O)c(C#N)c(N2CCC[C@H]2C[C@@H](C)O)[nH+]1 ZINC000590581792 519272733 /nfs/dbraw/zinc/27/27/33/519272733.db2.gz OAKOTMHYROXOCW-MLHJIOFPSA-N 1 2 372.513 2.741 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CN(Cc1ccccc1)c1ccccc1 ZINC000566071071 519281415 /nfs/dbraw/zinc/28/14/15/519281415.db2.gz RHFYAYMFVMPQFV-OAQYLSRUSA-N 1 2 350.466 2.653 20 30 FFEDLO Cc1csc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1C#N ZINC000577862136 519297146 /nfs/dbraw/zinc/29/71/46/519297146.db2.gz XRKTUWJRJSGWJI-INIZCTEOSA-N 1 2 370.478 2.951 20 30 FFEDLO Cc1csc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1C#N ZINC000577862136 519297154 /nfs/dbraw/zinc/29/71/54/519297154.db2.gz XRKTUWJRJSGWJI-INIZCTEOSA-N 1 2 370.478 2.951 20 30 FFEDLO COc1ccccc1NC(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000571837617 519301539 /nfs/dbraw/zinc/30/15/39/519301539.db2.gz PNELYBWXBPLJLG-UHFFFAOYSA-N 1 2 353.422 2.654 20 30 FFEDLO COc1ccccc1NC(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000571837617 519301558 /nfs/dbraw/zinc/30/15/58/519301558.db2.gz PNELYBWXBPLJLG-UHFFFAOYSA-N 1 2 353.422 2.654 20 30 FFEDLO C[N@@H+]1CCO[C@@H](CSCC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000583563790 519313630 /nfs/dbraw/zinc/31/36/30/519313630.db2.gz BPPCTJRZMYQHMU-OAHLLOKOSA-N 1 2 357.479 2.801 20 30 FFEDLO C[N@H+]1CCO[C@@H](CSCC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000583563790 519313639 /nfs/dbraw/zinc/31/36/39/519313639.db2.gz BPPCTJRZMYQHMU-OAHLLOKOSA-N 1 2 357.479 2.801 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000566145698 519332038 /nfs/dbraw/zinc/33/20/38/519332038.db2.gz GVKUABACRNSWIT-KPFFTGBYSA-N 1 2 373.497 2.675 20 30 FFEDLO C[C@@]1(c2ccccc2)CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000577981257 519354703 /nfs/dbraw/zinc/35/47/03/519354703.db2.gz KFFIVWBVEYLLIB-HXUWFJFHSA-N 1 2 369.490 2.781 20 30 FFEDLO C[C@@]1(c2ccccc2)CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000577981257 519354709 /nfs/dbraw/zinc/35/47/09/519354709.db2.gz KFFIVWBVEYLLIB-HXUWFJFHSA-N 1 2 369.490 2.781 20 30 FFEDLO Cc1nsc(N2CCN(C(=O)Nc3c(C)cc(C)[nH+]c3C)CC2)c1C#N ZINC000572113555 519450001 /nfs/dbraw/zinc/45/00/01/519450001.db2.gz OVFPSGIDWSDQOU-UHFFFAOYSA-N 1 2 370.482 2.998 20 30 FFEDLO Cc1csc(NC(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c1C#N ZINC000569352127 519507482 /nfs/dbraw/zinc/50/74/82/519507482.db2.gz VHUCJABAWGWAJA-ZDUSSCGKSA-N 1 2 371.466 2.870 20 30 FFEDLO Cn1cc(C[NH+]2CCN(c3nc4c(cc3C#N)CCCC4(C)C)CC2)cn1 ZINC000578275493 519508503 /nfs/dbraw/zinc/50/85/03/519508503.db2.gz PZLLZOBGOOIAPM-UHFFFAOYSA-N 1 2 364.497 2.623 20 30 FFEDLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc(C#N)c(Cl)c3)[nH+]cn2)C1 ZINC000591158618 519532690 /nfs/dbraw/zinc/53/26/90/519532690.db2.gz TWLLOKUXRWWLTD-DOMZBBRYSA-N 1 2 357.845 2.821 20 30 FFEDLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc(C#N)c(Cl)c3)nc[nH+]2)C1 ZINC000591158618 519532698 /nfs/dbraw/zinc/53/26/98/519532698.db2.gz TWLLOKUXRWWLTD-DOMZBBRYSA-N 1 2 357.845 2.821 20 30 FFEDLO N#Cc1ccc(N2CC[C@H](C(=O)Nc3c[nH+]c4n3CCCC4)C2)c(F)c1 ZINC000572354219 519571262 /nfs/dbraw/zinc/57/12/62/519571262.db2.gz ZIFMFHUGIHLVAZ-AWEZNQCLSA-N 1 2 353.401 2.695 20 30 FFEDLO C=CCC[C@@H]1NC(=O)N([C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1=O ZINC000581241392 519595127 /nfs/dbraw/zinc/59/51/27/519595127.db2.gz QEUJHYFKHKTWFI-GUYCJALGSA-N 1 2 363.408 2.816 20 30 FFEDLO C=CCC[C@@H]1NC(=O)N([C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1=O ZINC000581241392 519595133 /nfs/dbraw/zinc/59/51/33/519595133.db2.gz QEUJHYFKHKTWFI-GUYCJALGSA-N 1 2 363.408 2.816 20 30 FFEDLO C[C@@H]1C[NH+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C[C@@H](C)N1CC#N ZINC000602851228 519925036 /nfs/dbraw/zinc/92/50/36/519925036.db2.gz VCEGLCWKVXIJBL-XNJGSVPQSA-N 1 2 364.852 2.503 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857112 519929518 /nfs/dbraw/zinc/92/95/18/519929518.db2.gz OTSFZGAGNKFDSP-MELADBBJSA-N 1 2 368.403 2.951 20 30 FFEDLO Cc1ccc(F)c(N2CCC[C@H]([NH+]3C[C@H](C)N(CC#N)[C@@H](C)C3)C2=O)c1 ZINC000602859471 519933068 /nfs/dbraw/zinc/93/30/68/519933068.db2.gz YXTXNQVPAYKKMY-BQFCYCMXSA-N 1 2 358.461 2.548 20 30 FFEDLO CC(C)c1nnc(CC2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)[nH]1 ZINC000602868133 519937986 /nfs/dbraw/zinc/93/79/86/519937986.db2.gz ZLZUGTWWFLZVFT-FOIQADDNSA-N 1 2 374.533 2.626 20 30 FFEDLO CC(C)c1nc(CC2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)n[nH]1 ZINC000602868133 519937994 /nfs/dbraw/zinc/93/79/94/519937994.db2.gz ZLZUGTWWFLZVFT-FOIQADDNSA-N 1 2 374.533 2.626 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@H+](C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000602894756 519958103 /nfs/dbraw/zinc/95/81/03/519958103.db2.gz YOLJSJDLIOIGFA-UHFFFAOYSA-N 1 2 367.375 2.776 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@@H+](C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000602894756 519958113 /nfs/dbraw/zinc/95/81/13/519958113.db2.gz YOLJSJDLIOIGFA-UHFFFAOYSA-N 1 2 367.375 2.776 20 30 FFEDLO C[N@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602979867 520006184 /nfs/dbraw/zinc/00/61/84/520006184.db2.gz IRQLKFSDHSGOQY-SOLBZPMBSA-N 1 2 354.479 2.973 20 30 FFEDLO C[N@@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602979867 520006190 /nfs/dbraw/zinc/00/61/90/520006190.db2.gz IRQLKFSDHSGOQY-SOLBZPMBSA-N 1 2 354.479 2.973 20 30 FFEDLO CCOC(=O)c1cccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)n1 ZINC000600158769 520091779 /nfs/dbraw/zinc/09/17/79/520091779.db2.gz NBPRBALPIDOVED-UHFFFAOYSA-N 1 2 350.422 2.711 20 30 FFEDLO Cc1[nH]c(CN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)[nH+]c1C ZINC000600180950 520105468 /nfs/dbraw/zinc/10/54/68/520105468.db2.gz OHRDCFUKQKPCQX-UHFFFAOYSA-N 1 2 361.453 2.611 20 30 FFEDLO CC[N@@H+]1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C[C@H]1C ZINC000594764775 520144237 /nfs/dbraw/zinc/14/42/37/520144237.db2.gz BBAMDISFSKYQIB-GFCCVEGCSA-N 1 2 363.508 2.796 20 30 FFEDLO CC[N@H+]1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C[C@H]1C ZINC000594764775 520144244 /nfs/dbraw/zinc/14/42/44/520144244.db2.gz BBAMDISFSKYQIB-GFCCVEGCSA-N 1 2 363.508 2.796 20 30 FFEDLO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(Cc2ccncc2C#N)CC1 ZINC000592073250 520167386 /nfs/dbraw/zinc/16/73/86/520167386.db2.gz KRFJCPNHKLIPGQ-MRXNPFEDSA-N 1 2 374.448 2.882 20 30 FFEDLO CC[C@@H](C)[C@H]1CN(Cc2ccncc2C#N)CC[N@@H+]1Cc1ccncc1C#N ZINC000592085652 520172595 /nfs/dbraw/zinc/17/25/95/520172595.db2.gz IGVBWOFZLJOYQB-VGOFRKELSA-N 1 2 374.492 2.952 20 30 FFEDLO CC[C@@H](C)[C@H]1CN(Cc2ccncc2C#N)CC[N@H+]1Cc1ccncc1C#N ZINC000592085652 520172607 /nfs/dbraw/zinc/17/26/07/520172607.db2.gz IGVBWOFZLJOYQB-VGOFRKELSA-N 1 2 374.492 2.952 20 30 FFEDLO Cc1ccn2cc(CNC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)[nH+]c2c1 ZINC000609110071 520193764 /nfs/dbraw/zinc/19/37/64/520193764.db2.gz XEAYEOWQKHPDMR-LJQANCHMSA-N 1 2 359.433 2.800 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000592150725 520228560 /nfs/dbraw/zinc/22/85/60/520228560.db2.gz IAAYTKDSIDQRHD-HNNXBMFYSA-N 1 2 353.209 2.894 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000592150725 520228566 /nfs/dbraw/zinc/22/85/66/520228566.db2.gz IAAYTKDSIDQRHD-HNNXBMFYSA-N 1 2 353.209 2.894 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000592151440 520229004 /nfs/dbraw/zinc/22/90/04/520229004.db2.gz OYZRPROPPTYHSA-MRXNPFEDSA-N 1 2 362.227 2.955 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000592151440 520229014 /nfs/dbraw/zinc/22/90/14/520229014.db2.gz OYZRPROPPTYHSA-MRXNPFEDSA-N 1 2 362.227 2.955 20 30 FFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000617043700 520297601 /nfs/dbraw/zinc/29/76/01/520297601.db2.gz DCWVJWGDQHXTDZ-NJAFHUGGSA-N 1 2 360.502 2.734 20 30 FFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000617043700 520297610 /nfs/dbraw/zinc/29/76/10/520297610.db2.gz DCWVJWGDQHXTDZ-NJAFHUGGSA-N 1 2 360.502 2.734 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000609485677 520327825 /nfs/dbraw/zinc/32/78/25/520327825.db2.gz UZWOZEVUBKQXBT-MAUKXSAKSA-N 1 2 362.905 2.683 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000609485679 520328206 /nfs/dbraw/zinc/32/82/06/520328206.db2.gz UZWOZEVUBKQXBT-YJBOKZPZSA-N 1 2 362.905 2.683 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)(C)C)CC1 ZINC000609486185 520329522 /nfs/dbraw/zinc/32/95/22/520329522.db2.gz FKIVPOUKCKLVOF-HXUWFJFHSA-N 1 2 370.541 2.979 20 30 FFEDLO CCOC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CCOc1ccc(C#N)cc1 ZINC000600588788 520348802 /nfs/dbraw/zinc/34/88/02/520348802.db2.gz HINKMBOXMHQNGG-IBGZPJMESA-N 1 2 356.397 2.840 20 30 FFEDLO C[C@@]1(C#N)CCN(C(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000595207378 520350572 /nfs/dbraw/zinc/35/05/72/520350572.db2.gz HWQVMSFOEXRUEU-IBGZPJMESA-N 1 2 350.378 2.575 20 30 FFEDLO Cc1ccc(C)c(NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000603784212 520359751 /nfs/dbraw/zinc/35/97/51/520359751.db2.gz MMZYPVGYKOLETF-UHFFFAOYSA-N 1 2 362.477 2.931 20 30 FFEDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1C[C@@H]1CNc2c(C#N)cnn2C1 ZINC000592500977 520423068 /nfs/dbraw/zinc/42/30/68/520423068.db2.gz FBFSAFPKWKDTQM-QWQRMKEZSA-N 1 2 371.872 2.912 20 30 FFEDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1C[C@@H]1CNc2c(C#N)cnn2C1 ZINC000592500977 520423077 /nfs/dbraw/zinc/42/30/77/520423077.db2.gz FBFSAFPKWKDTQM-QWQRMKEZSA-N 1 2 371.872 2.912 20 30 FFEDLO N#Cc1cnn2cc(C[NH+]3C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)cnc12 ZINC000592504029 520423881 /nfs/dbraw/zinc/42/38/81/520423881.db2.gz DVKZZVCOGPTVLW-QWRGUYRKSA-N 1 2 363.265 2.774 20 30 FFEDLO CC(C)CCNC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000600829480 520492332 /nfs/dbraw/zinc/49/23/32/520492332.db2.gz JESACIHZKIKQIF-QFBILLFUSA-N 1 2 360.477 2.559 20 30 FFEDLO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](CC#N)C1)c1c(F)cccc1F ZINC000595551679 520547308 /nfs/dbraw/zinc/54/73/08/520547308.db2.gz XXEZIUGOPICDTH-XJKSGUPXSA-N 1 2 350.413 2.903 20 30 FFEDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cn(CC3(CC#N)CC3)nn2)CC1 ZINC000600970894 520565429 /nfs/dbraw/zinc/56/54/29/520565429.db2.gz OIAOXZUYCYVKIM-UHFFFAOYSA-N 1 2 359.474 2.526 20 30 FFEDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cn(-c3ccccc3C#N)nn2)CC1 ZINC000600970689 520565529 /nfs/dbraw/zinc/56/55/29/520565529.db2.gz LRYHREHUDWXGAQ-UHFFFAOYSA-N 1 2 367.453 2.693 20 30 FFEDLO Cc1cccc([C@@H](CNC(=O)c2ccccc2CC#N)[NH+]2CCOCC2)c1 ZINC000600997006 520583844 /nfs/dbraw/zinc/58/38/44/520583844.db2.gz NPMVHNZDHKQYCP-OAQYLSRUSA-N 1 2 363.461 2.864 20 30 FFEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1 ZINC000595617096 520596824 /nfs/dbraw/zinc/59/68/24/520596824.db2.gz UJYPLCGFMVCJCR-INIZCTEOSA-N 1 2 366.465 2.910 20 30 FFEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1 ZINC000595617096 520596827 /nfs/dbraw/zinc/59/68/27/520596827.db2.gz UJYPLCGFMVCJCR-INIZCTEOSA-N 1 2 366.465 2.910 20 30 FFEDLO N#Cc1sccc1N1CCN(Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000595632967 520608960 /nfs/dbraw/zinc/60/89/60/520608960.db2.gz RITQAJLEPXMUGH-UHFFFAOYSA-N 1 2 355.389 2.701 20 30 FFEDLO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2nnnn2C2CC2)c1 ZINC000610272372 520616487 /nfs/dbraw/zinc/61/64/87/520616487.db2.gz VOYPUUPRCWUQSJ-UHFFFAOYSA-N 1 2 360.421 2.748 20 30 FFEDLO C[C@@H](NC(=O)N1CCC[N@H+](Cc2cscn2)CC1)c1cccc(C#N)c1 ZINC000610356311 520648712 /nfs/dbraw/zinc/64/87/12/520648712.db2.gz OQHFHQOKRORTHR-OAHLLOKOSA-N 1 2 369.494 2.993 20 30 FFEDLO C[C@@H](NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1)c1cccc(C#N)c1 ZINC000610356311 520648716 /nfs/dbraw/zinc/64/87/16/520648716.db2.gz OQHFHQOKRORTHR-OAHLLOKOSA-N 1 2 369.494 2.993 20 30 FFEDLO N#Cc1ccc(CNC(=O)NCc2ccc[nH+]c2N2CCCC2)c(F)c1 ZINC000595712477 520668692 /nfs/dbraw/zinc/66/86/92/520668692.db2.gz IQIDRJVTBRTHAH-UHFFFAOYSA-N 1 2 353.401 2.692 20 30 FFEDLO N#Cc1ccccc1OCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000593041817 520702520 /nfs/dbraw/zinc/70/25/20/520702520.db2.gz ZDDGIPFMFCFJOR-HXUWFJFHSA-N 1 2 361.445 2.643 20 30 FFEDLO N#Cc1ccccc1OCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000593041817 520702526 /nfs/dbraw/zinc/70/25/26/520702526.db2.gz ZDDGIPFMFCFJOR-HXUWFJFHSA-N 1 2 361.445 2.643 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000595829329 520753534 /nfs/dbraw/zinc/75/35/34/520753534.db2.gz PNMYTTLPXGTRLS-RISCZKNCSA-N 1 2 358.269 2.625 20 30 FFEDLO COc1nc(C)cc(C)c1C[N@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000598647341 520759497 /nfs/dbraw/zinc/75/94/97/520759497.db2.gz BMJLOQRXAUJSKW-MRXNPFEDSA-N 1 2 370.478 2.878 20 30 FFEDLO COc1nc(C)cc(C)c1C[N@@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000598647341 520759508 /nfs/dbraw/zinc/75/95/08/520759508.db2.gz BMJLOQRXAUJSKW-MRXNPFEDSA-N 1 2 370.478 2.878 20 30 FFEDLO COCCc1ccc(OC[C@@H](O)C[N@@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000593122921 520761970 /nfs/dbraw/zinc/76/19/70/520761970.db2.gz BNHCUYGPXWWJPD-IBGZPJMESA-N 1 2 352.434 2.503 20 30 FFEDLO COCCc1ccc(OC[C@@H](O)C[N@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000593122921 520761978 /nfs/dbraw/zinc/76/19/78/520761978.db2.gz BNHCUYGPXWWJPD-IBGZPJMESA-N 1 2 352.434 2.503 20 30 FFEDLO N#Cc1cccc2c1CN(C(=O)Nc1ccccc1C[NH+]1CCOCC1)C2 ZINC000593147746 520780953 /nfs/dbraw/zinc/78/09/53/520780953.db2.gz ZRNIJLWASCKEJL-UHFFFAOYSA-N 1 2 362.433 2.938 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCc3c(cccc3C(N)=O)C2)c(OC(F)F)c1 ZINC000595902144 520808140 /nfs/dbraw/zinc/80/81/40/520808140.db2.gz HGBVHCULSOAPRK-UHFFFAOYSA-N 1 2 357.360 2.817 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCc3c(cccc3C(N)=O)C2)c(OC(F)F)c1 ZINC000595902144 520808149 /nfs/dbraw/zinc/80/81/49/520808149.db2.gz HGBVHCULSOAPRK-UHFFFAOYSA-N 1 2 357.360 2.817 20 30 FFEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614171583 520833823 /nfs/dbraw/zinc/83/38/23/520833823.db2.gz SDELMTAXBOESMC-GOSISDBHSA-N 1 2 368.525 2.616 20 30 FFEDLO Cc1nc(N2CCN([C@H](C#N)C(C)C)CC2)c(Br)c(C)[nH+]1 ZINC000596134314 520933293 /nfs/dbraw/zinc/93/32/93/520933293.db2.gz LNKMHASMCIHUNK-CYBMUJFWSA-N 1 2 352.280 2.526 20 30 FFEDLO CN1CC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000611009142 520943783 /nfs/dbraw/zinc/94/37/83/520943783.db2.gz FYVCUKKDOXSVFC-NRFANRHFSA-N 1 2 374.488 2.826 20 30 FFEDLO N#Cc1cnc2c(F)ccc(F)c2c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000611080167 520973860 /nfs/dbraw/zinc/97/38/60/520973860.db2.gz UKYTVYFHVHNGFA-CYBMUJFWSA-N 1 2 351.360 2.892 20 30 FFEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1)c1cc2ccccc2o1 ZINC000611175404 521023625 /nfs/dbraw/zinc/02/36/25/521023625.db2.gz BPNJMQJEXRAZCX-HZPDHXFCSA-N 1 2 354.454 2.530 20 30 FFEDLO CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCN(CCC#N)CC2)cc1 ZINC000611174862 521023698 /nfs/dbraw/zinc/02/36/98/521023698.db2.gz OGXWLUQZXPWOKA-GOSISDBHSA-N 1 2 356.514 2.594 20 30 FFEDLO CN(C)c1nc(N2CCN(c3ccsc3C#N)CC2)[nH+]c2ccccc21 ZINC000596352686 521038753 /nfs/dbraw/zinc/03/87/53/521038753.db2.gz QWHBUMSGGNLXJP-UHFFFAOYSA-N 1 2 364.478 2.956 20 30 FFEDLO C=CC[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1)c1ccccc1 ZINC000614666695 521082996 /nfs/dbraw/zinc/08/29/96/521082996.db2.gz XUFXXVSJJWLWPP-AEFFLSMTSA-N 1 2 354.454 2.758 20 30 FFEDLO C=CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1)c1ccccc1 ZINC000614666695 521083003 /nfs/dbraw/zinc/08/30/03/521083003.db2.gz XUFXXVSJJWLWPP-AEFFLSMTSA-N 1 2 354.454 2.758 20 30 FFEDLO CCc1oc2ccccc2c1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000599230306 521098484 /nfs/dbraw/zinc/09/84/84/521098484.db2.gz POEZHZAWDXXBBJ-UHFFFAOYSA-N 1 2 369.465 2.612 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1C#N ZINC000611347105 521111247 /nfs/dbraw/zinc/11/12/47/521111247.db2.gz HJSATZDJHIIANJ-WBVHZDCISA-N 1 2 364.371 2.940 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1C#N ZINC000611347105 521111251 /nfs/dbraw/zinc/11/12/51/521111251.db2.gz HJSATZDJHIIANJ-WBVHZDCISA-N 1 2 364.371 2.940 20 30 FFEDLO CCO[C@H](C)c1nc(C[N@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)cs1 ZINC000599300269 521134677 /nfs/dbraw/zinc/13/46/77/521134677.db2.gz ORXJHAJXZJTPOJ-ZBFHGGJFSA-N 1 2 367.515 2.744 20 30 FFEDLO CCO[C@H](C)c1nc(C[N@@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)cs1 ZINC000599300269 521134685 /nfs/dbraw/zinc/13/46/85/521134685.db2.gz ORXJHAJXZJTPOJ-ZBFHGGJFSA-N 1 2 367.515 2.744 20 30 FFEDLO N#CCCN(Cc1cccnc1)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602084796 521135175 /nfs/dbraw/zinc/13/51/75/521135175.db2.gz KYGZJKYMGKNJSK-AWEZNQCLSA-N 1 2 351.332 2.714 20 30 FFEDLO CC(C)C[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)n1cc[nH+]c1 ZINC000602095603 521138255 /nfs/dbraw/zinc/13/82/55/521138255.db2.gz CCHRUZBDIKAOHO-UXHICEINSA-N 1 2 365.481 2.707 20 30 FFEDLO Cc1ccc(C[NH+]2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1C#N ZINC000599319000 521148750 /nfs/dbraw/zinc/14/87/50/521148750.db2.gz YOAOLVPKAOLILX-UHFFFAOYSA-N 1 2 372.476 2.540 20 30 FFEDLO N#Cc1ccc2c(c1)CC[C@@H]2Nc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000618622389 521148921 /nfs/dbraw/zinc/14/89/21/521148921.db2.gz PEZOMEBHHDGOIT-INIZCTEOSA-N 1 2 354.377 2.577 20 30 FFEDLO CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccoc1 ZINC000611429467 521153047 /nfs/dbraw/zinc/15/30/47/521153047.db2.gz WNKJVLYNIYBLRI-QGZVFWFLSA-N 1 2 372.494 2.572 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccoc1 ZINC000611429467 521153050 /nfs/dbraw/zinc/15/30/50/521153050.db2.gz WNKJVLYNIYBLRI-QGZVFWFLSA-N 1 2 372.494 2.572 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000599371657 521181373 /nfs/dbraw/zinc/18/13/73/521181373.db2.gz DUAPYAGTAPRRGK-GJZGRUSLSA-N 1 2 361.492 2.545 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCSC[C@H]1c1nccs1 ZINC000599371657 521181381 /nfs/dbraw/zinc/18/13/81/521181381.db2.gz DUAPYAGTAPRRGK-GJZGRUSLSA-N 1 2 361.492 2.545 20 30 FFEDLO Cc1cn2ccc(C(=O)N3CCN(c4ccsc4C#N)CC3)cc2[nH+]1 ZINC000602180643 521194011 /nfs/dbraw/zinc/19/40/11/521194011.db2.gz YODIJXCDDJCKBZ-UHFFFAOYSA-N 1 2 351.435 2.538 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@](OC)(C(F)(F)F)C2)c1C#N ZINC000614924916 521195798 /nfs/dbraw/zinc/19/57/98/521195798.db2.gz PCVYUDRJEMZYQG-MRXNPFEDSA-N 1 2 356.344 2.888 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@](OC)(C(F)(F)F)C2)c1C#N ZINC000614924916 521195802 /nfs/dbraw/zinc/19/58/02/521195802.db2.gz PCVYUDRJEMZYQG-MRXNPFEDSA-N 1 2 356.344 2.888 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ncnc4ccsc43)CC2)cc1 ZINC000596657822 521196381 /nfs/dbraw/zinc/19/63/81/521196381.db2.gz BUKLDZLWTNHHII-UHFFFAOYSA-N 1 2 363.446 2.521 20 30 FFEDLO Cc1cc(C(=O)NCC[NH+]2Cc3ccccc3C2)nn1-c1cccc(C#N)c1 ZINC000611538999 521209314 /nfs/dbraw/zinc/20/93/14/521209314.db2.gz PJSFFYQZFFIUJH-UHFFFAOYSA-N 1 2 371.444 2.798 20 30 FFEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000611550227 521213327 /nfs/dbraw/zinc/21/33/27/521213327.db2.gz AGGHYGBUDOSHIT-RXFWQSSRSA-N 1 2 371.481 2.816 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000611553353 521214884 /nfs/dbraw/zinc/21/48/84/521214884.db2.gz XGQGKNFOHUEZOH-HXUWFJFHSA-N 1 2 367.424 2.995 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000611553352 521214921 /nfs/dbraw/zinc/21/49/21/521214921.db2.gz XGQGKNFOHUEZOH-FQEVSTJZSA-N 1 2 367.424 2.995 20 30 FFEDLO CC(C)C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000599426043 521215466 /nfs/dbraw/zinc/21/54/66/521215466.db2.gz VRBBKBXDAXPSDH-KRWDZBQOSA-N 1 2 358.486 2.832 20 30 FFEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000618798503 521242838 /nfs/dbraw/zinc/24/28/38/521242838.db2.gz GXRKGCQBHRVGMJ-LJQANCHMSA-N 1 2 361.449 2.909 20 30 FFEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000618812639 521247878 /nfs/dbraw/zinc/24/78/78/521247878.db2.gz GHDRTSZJIAQQFA-AWEZNQCLSA-N 1 2 363.343 2.804 20 30 FFEDLO Cc1cn2c([nH+]1)CN(C(=O)c1ccc(COc3ccc(C#N)cc3)o1)CC2 ZINC000611847331 521363655 /nfs/dbraw/zinc/36/36/55/521363655.db2.gz AYYSUCWTNOHWEP-UHFFFAOYSA-N 1 2 362.389 2.891 20 30 FFEDLO CS(=O)(=O)c1ccc(OCC[N@@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000599677646 521392937 /nfs/dbraw/zinc/39/29/37/521392937.db2.gz BKCFOADKPOWZFF-UHFFFAOYSA-N 1 2 370.474 2.593 20 30 FFEDLO CS(=O)(=O)c1ccc(OCC[N@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000599677646 521392944 /nfs/dbraw/zinc/39/29/44/521392944.db2.gz BKCFOADKPOWZFF-UHFFFAOYSA-N 1 2 370.474 2.593 20 30 FFEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000599731770 521434817 /nfs/dbraw/zinc/43/48/17/521434817.db2.gz RNRWVYITSKMGKZ-KRWDZBQOSA-N 1 2 366.421 2.803 20 30 FFEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000599731770 521434822 /nfs/dbraw/zinc/43/48/22/521434822.db2.gz RNRWVYITSKMGKZ-KRWDZBQOSA-N 1 2 366.421 2.803 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@](F)(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000615547383 521440041 /nfs/dbraw/zinc/44/00/41/521440041.db2.gz JEYRLKPXKULPNF-ZOBUZTSGSA-N 1 2 368.815 2.871 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)N2CC[C@](F)(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000615547383 521440052 /nfs/dbraw/zinc/44/00/52/521440052.db2.gz JEYRLKPXKULPNF-ZOBUZTSGSA-N 1 2 368.815 2.871 20 30 FFEDLO Cc1c(Cl)cnc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)c1C#N ZINC000612070461 521467173 /nfs/dbraw/zinc/46/71/73/521467173.db2.gz QTZXGFOXNYVBCW-STQMWFEESA-N 1 2 371.872 2.958 20 30 FFEDLO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162938 521512290 /nfs/dbraw/zinc/51/22/90/521512290.db2.gz RYNYCOCDWHLUOX-MDOVXXIYSA-N 1 2 357.454 2.649 20 30 FFEDLO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162938 521512295 /nfs/dbraw/zinc/51/22/95/521512295.db2.gz RYNYCOCDWHLUOX-MDOVXXIYSA-N 1 2 357.454 2.649 20 30 FFEDLO C[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@H](C)N1CC#N ZINC000602828708 521557393 /nfs/dbraw/zinc/55/73/93/521557393.db2.gz GCQAOSURTZRLMK-GASCZTMLSA-N 1 2 352.442 2.537 20 30 FFEDLO N#Cc1sccc1N1CC[NH+](Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000597183579 521563467 /nfs/dbraw/zinc/56/34/67/521563467.db2.gz LZWBZKCAWJGWAD-UHFFFAOYSA-N 1 2 368.441 2.662 20 30 FFEDLO N#Cc1c(F)cc(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1F ZINC000594354263 521572314 /nfs/dbraw/zinc/57/23/14/521572314.db2.gz ZLYAQXOIAFTLHS-UHFFFAOYSA-N 1 2 371.387 2.599 20 30 FFEDLO Cn1cc[nH+]c1[C@H](CC(=O)NCCc1cccc(C#N)c1)C(F)(F)F ZINC000594356483 521573585 /nfs/dbraw/zinc/57/35/85/521573585.db2.gz JFPUFMFQWLDVCX-AWEZNQCLSA-N 1 2 350.344 2.687 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[C@](C)(C#N)C1)c1ccc(F)cc1 ZINC000612357706 521590691 /nfs/dbraw/zinc/59/06/91/521590691.db2.gz NBCBJRNVOUBWDG-QFBILLFUSA-N 1 2 355.417 2.984 20 30 FFEDLO N#CCc1ccccc1S(=O)(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000619572391 521776706 /nfs/dbraw/zinc/77/67/06/521776706.db2.gz AONITBGUYYZCCO-UHFFFAOYSA-N 1 2 370.478 2.616 20 30 FFEDLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647468 521811210 /nfs/dbraw/zinc/81/12/10/521811210.db2.gz SIFZDCQIRUMVRZ-XLIONFOSSA-N 1 2 372.488 2.799 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)ccc1C#N ZINC000619674347 521821286 /nfs/dbraw/zinc/82/12/86/521821286.db2.gz ASBBFZZLWFZHMB-UHFFFAOYSA-N 1 2 363.421 2.626 20 30 FFEDLO N#Cc1ccc(CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)cc1Cl ZINC000619747237 521853225 /nfs/dbraw/zinc/85/32/25/521853225.db2.gz NSBPUDWXFZUNTG-OAHLLOKOSA-N 1 2 357.845 2.965 20 30 FFEDLO N#Cc1ccc(CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)cc1Cl ZINC000619747237 521853233 /nfs/dbraw/zinc/85/32/33/521853233.db2.gz NSBPUDWXFZUNTG-OAHLLOKOSA-N 1 2 357.845 2.965 20 30 FFEDLO C=CCC[C@H](O)C[N@@H+]1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 ZINC000626085062 521915344 /nfs/dbraw/zinc/91/53/44/521915344.db2.gz YUAXCFGMEVRUPJ-INIZCTEOSA-N 1 2 356.388 2.677 20 30 FFEDLO C=CCC[C@H](O)C[N@H+]1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 ZINC000626085062 521915358 /nfs/dbraw/zinc/91/53/58/521915358.db2.gz YUAXCFGMEVRUPJ-INIZCTEOSA-N 1 2 356.388 2.677 20 30 FFEDLO C=CC[C@@H]1CCN(C(=O)NC[C@H](c2cccc(C)c2)[NH+]2CCOCC2)C1 ZINC000623420754 522009048 /nfs/dbraw/zinc/00/90/48/522009048.db2.gz NXIFQJPQZHDADJ-UYAOXDASSA-N 1 2 357.498 2.976 20 30 FFEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC2 ZINC000623676752 522211992 /nfs/dbraw/zinc/21/19/92/522211992.db2.gz DJUXWNSDXAQYBA-HNNXBMFYSA-N 1 2 361.367 2.941 20 30 FFEDLO C=CCC1(CNC(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CCCC1 ZINC000624168223 522520668 /nfs/dbraw/zinc/52/06/68/522520668.db2.gz BFRIIMNAWCETCK-IBGZPJMESA-N 1 2 372.513 2.718 20 30 FFEDLO C=CCC1(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CCCC1 ZINC000624168223 522520675 /nfs/dbraw/zinc/52/06/75/522520675.db2.gz BFRIIMNAWCETCK-IBGZPJMESA-N 1 2 372.513 2.718 20 30 FFEDLO C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)C1 ZINC000627733939 523056943 /nfs/dbraw/zinc/05/69/43/523056943.db2.gz IAVJMJJCPHOHIF-CYBMUJFWSA-N 1 2 352.438 2.814 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000623048186 523645558 /nfs/dbraw/zinc/64/55/58/523645558.db2.gz JXRZDTVAJOZRMA-IBGZPJMESA-N 1 2 371.525 2.710 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000623048186 523645564 /nfs/dbraw/zinc/64/55/64/523645564.db2.gz JXRZDTVAJOZRMA-IBGZPJMESA-N 1 2 371.525 2.710 20 30 FFEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CNc3ccc(C#N)cn3)n2)C1 ZINC000502082656 561611773 /nfs/dbraw/zinc/61/17/73/561611773.db2.gz IYSXSAJEIIQNOL-ZDUSSCGKSA-N 1 2 370.482 2.692 20 30 FFEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CNc3ccc(C#N)cn3)n2)C1 ZINC000502082656 561611774 /nfs/dbraw/zinc/61/17/74/561611774.db2.gz IYSXSAJEIIQNOL-ZDUSSCGKSA-N 1 2 370.482 2.692 20 30 FFEDLO N#Cc1cc(NCc2cc[nH+]c(N3CCSCC3)c2)nc(C2CC2)n1 ZINC000601241057 673835066 /nfs/dbraw/zinc/83/50/66/673835066.db2.gz WDAYZJFDTRDRDU-UHFFFAOYSA-N 1 2 352.467 2.786 20 30 FFEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(Cl)cc(C#N)n2)CC1 ZINC001164916332 721814634 /nfs/dbraw/zinc/81/46/34/721814634.db2.gz CDECOUUNCCINAY-UHFFFAOYSA-N 1 2 356.861 2.553 20 30 FFEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(C)c(C#N)cc2Cl)CC1 ZINC001164918782 721821677 /nfs/dbraw/zinc/82/16/77/721821677.db2.gz HPKAVKJKXBUVMH-UHFFFAOYSA-N 1 2 370.888 2.861 20 30 FFEDLO C=CCc1cc(OCC)cc(C[N@H+](CCS(C)(=O)=O)C2CC2)c1O ZINC000157109534 728865974 /nfs/dbraw/zinc/86/59/74/728865974.db2.gz XMVIBPIACQGXRZ-UHFFFAOYSA-N 1 2 353.484 2.528 20 30 FFEDLO C=CCc1cc(OCC)cc(C[N@@H+](CCS(C)(=O)=O)C2CC2)c1O ZINC000157109534 728865979 /nfs/dbraw/zinc/86/59/79/728865979.db2.gz XMVIBPIACQGXRZ-UHFFFAOYSA-N 1 2 353.484 2.528 20 30 FFEDLO C#CC[NH+]1CCN(Cn2nc([C@@H](CC)c3ccccc3)oc2=S)CC1 ZINC000075711826 728251441 /nfs/dbraw/zinc/25/14/41/728251441.db2.gz ALTCEKVZDODPQN-KRWDZBQOSA-N 1 2 356.495 2.956 20 30 FFEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)Nc1ccccc1C(F)(F)F ZINC000092914992 728471870 /nfs/dbraw/zinc/47/18/70/728471870.db2.gz DNUVULBQJRZZIZ-UHFFFAOYSA-N 1 2 352.316 2.570 20 30 FFEDLO C[NH+](C)Cc1csc(CNC(=O)NC(C)(C)c2cccc(C#N)c2)n1 ZINC000924784939 738449353 /nfs/dbraw/zinc/44/93/53/738449353.db2.gz KFNHZQYXUUZRTJ-UHFFFAOYSA-N 1 2 357.483 2.811 20 30 FFEDLO CCc1noc(C[C@]2(O)CCC[N@H+](CC#Cc3ccccc3Cl)C2)n1 ZINC000856676022 730348712 /nfs/dbraw/zinc/34/87/12/730348712.db2.gz FZNLNMVXDHVIKN-LJQANCHMSA-N 1 2 359.857 2.707 20 30 FFEDLO CCc1noc(C[C@]2(O)CCC[N@@H+](CC#Cc3ccccc3Cl)C2)n1 ZINC000856676022 730348714 /nfs/dbraw/zinc/34/87/14/730348714.db2.gz FZNLNMVXDHVIKN-LJQANCHMSA-N 1 2 359.857 2.707 20 30 FFEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCc3nccc(Br)c3C2)cc1 ZINC000857913531 730414176 /nfs/dbraw/zinc/41/41/76/730414176.db2.gz LOICJBWDHIUOAX-QGZVFWFLSA-N 1 2 358.239 2.807 20 30 FFEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCc3nccc(Br)c3C2)cc1 ZINC000857913531 730414177 /nfs/dbraw/zinc/41/41/77/730414177.db2.gz LOICJBWDHIUOAX-QGZVFWFLSA-N 1 2 358.239 2.807 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000860306396 730500266 /nfs/dbraw/zinc/50/02/66/730500266.db2.gz BHKVENXJWLJPCT-HUUCEWRRSA-N 1 2 364.515 2.925 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000860306396 730500269 /nfs/dbraw/zinc/50/02/69/730500269.db2.gz BHKVENXJWLJPCT-HUUCEWRRSA-N 1 2 364.515 2.925 20 30 FFEDLO N#Cc1ccccc1NC(=S)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000865255596 730931514 /nfs/dbraw/zinc/93/15/14/730931514.db2.gz XPALLTXNMIFZMC-UHFFFAOYSA-N 1 2 369.519 2.993 20 30 FFEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2coc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000867115859 731145280 /nfs/dbraw/zinc/14/52/80/731145280.db2.gz TXXKXLQTDZSRIC-IRXDYDNUSA-N 1 2 359.813 2.606 20 30 FFEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2coc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000867115859 731145281 /nfs/dbraw/zinc/14/52/81/731145281.db2.gz TXXKXLQTDZSRIC-IRXDYDNUSA-N 1 2 359.813 2.606 20 30 FFEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc(F)c1C#N ZINC000867680496 731213097 /nfs/dbraw/zinc/21/30/97/731213097.db2.gz OOJGJMSTGKGSCP-UHFFFAOYSA-N 1 2 363.414 2.714 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1nnc(-c2sccc2C)o1)[C@H](C)COC ZINC000661240128 732187152 /nfs/dbraw/zinc/18/71/52/732187152.db2.gz MAXVCZUOXWFABX-GFCCVEGCSA-N 1 2 350.444 2.568 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1nnc(-c2sccc2C)o1)[C@H](C)COC ZINC000661240128 732187154 /nfs/dbraw/zinc/18/71/54/732187154.db2.gz MAXVCZUOXWFABX-GFCCVEGCSA-N 1 2 350.444 2.568 20 30 FFEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000780980447 738591879 /nfs/dbraw/zinc/59/18/79/738591879.db2.gz KIHQJKGEXYESFH-MSOLQXFVSA-N 1 2 353.507 2.671 20 30 FFEDLO COc1ccccc1N1CC[C@H]([NH2+]Cc2cc(C#N)cnc2Cl)C1=O ZINC000877083511 732322091 /nfs/dbraw/zinc/32/20/91/732322091.db2.gz BVTXIFBZALAVGU-AWEZNQCLSA-N 1 2 356.813 2.510 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](CCc2ccccc2Br)CC1 ZINC000878677967 732576277 /nfs/dbraw/zinc/57/62/77/732576277.db2.gz OZWXLZIVITZHRO-UHFFFAOYSA-N 1 2 351.244 2.770 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+](C[C@H](O)c1cc(Br)no1)C2 ZINC000879064429 732639882 /nfs/dbraw/zinc/63/98/82/732639882.db2.gz GDYWFLGWWNUFFL-AWEZNQCLSA-N 1 2 362.227 2.595 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+](C[C@H](O)c1cc(Br)no1)C2 ZINC000879064429 732639883 /nfs/dbraw/zinc/63/98/83/732639883.db2.gz GDYWFLGWWNUFFL-AWEZNQCLSA-N 1 2 362.227 2.595 20 30 FFEDLO C#CCC1(O)CC[NH+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)CC1 ZINC000880479870 732913285 /nfs/dbraw/zinc/91/32/85/732913285.db2.gz APCPURXMTKEAPF-UHFFFAOYSA-N 1 2 351.328 2.504 20 30 FFEDLO C#CCC1(O)CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000880484194 732913847 /nfs/dbraw/zinc/91/38/47/732913847.db2.gz RVPRCNFJGGGUMN-UHFFFAOYSA-N 1 2 353.216 2.708 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3ncccn3)C2)cc1Cl ZINC000886682141 733816231 /nfs/dbraw/zinc/81/62/31/733816231.db2.gz AFWWOAVKZFVSCY-AWEZNQCLSA-N 1 2 355.829 2.820 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3ncccn3)C2)cc1Cl ZINC000886682141 733816232 /nfs/dbraw/zinc/81/62/32/733816232.db2.gz AFWWOAVKZFVSCY-AWEZNQCLSA-N 1 2 355.829 2.820 20 30 FFEDLO NC(=NOCCCc1ccsc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000782948075 738767295 /nfs/dbraw/zinc/76/72/95/738767295.db2.gz NQMTWMUTJVKBPZ-UHFFFAOYSA-N 1 2 359.495 2.850 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)c2ccccc2Cl)CC1 ZINC000890477331 734306518 /nfs/dbraw/zinc/30/65/18/734306518.db2.gz LNARHIOXEHXEEW-SFHVURJKSA-N 1 2 358.869 2.859 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)c2ccccc2Cl)CC1 ZINC000890477331 734306522 /nfs/dbraw/zinc/30/65/22/734306522.db2.gz LNARHIOXEHXEEW-SFHVURJKSA-N 1 2 358.869 2.859 20 30 FFEDLO CC1(C)C[N@H+](CCNC(=S)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000726489516 734430453 /nfs/dbraw/zinc/43/04/53/734430453.db2.gz OKJNPVBNCJZEKK-UHFFFAOYSA-N 1 2 352.891 2.609 20 30 FFEDLO CC1(C)C[N@@H+](CCNC(=S)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000726489516 734430455 /nfs/dbraw/zinc/43/04/55/734430455.db2.gz OKJNPVBNCJZEKK-UHFFFAOYSA-N 1 2 352.891 2.609 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(OCC(F)(F)F)c1 ZINC000732057768 734714935 /nfs/dbraw/zinc/71/49/35/734714935.db2.gz SSROHTCDSWKKGV-ZDUSSCGKSA-N 1 2 356.344 2.672 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(OCC(F)(F)F)c1 ZINC000732057768 734714937 /nfs/dbraw/zinc/71/49/37/734714937.db2.gz SSROHTCDSWKKGV-ZDUSSCGKSA-N 1 2 356.344 2.672 20 30 FFEDLO COC(=O)c1cnc([C@@H]2CC[N@H+](Cc3cc(C#N)cnc3Cl)C2)s1 ZINC000896971856 735190228 /nfs/dbraw/zinc/19/02/28/735190228.db2.gz XRBIFNNYWAJWFT-LLVKDONJSA-N 1 2 362.842 2.839 20 30 FFEDLO COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3cc(C#N)cnc3Cl)C2)s1 ZINC000896971856 735190229 /nfs/dbraw/zinc/19/02/29/735190229.db2.gz XRBIFNNYWAJWFT-LLVKDONJSA-N 1 2 362.842 2.839 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000742944040 735263943 /nfs/dbraw/zinc/26/39/43/735263943.db2.gz HEAUMSSINWNTIV-WFASDCNBSA-N 1 2 358.829 2.665 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000742944040 735263947 /nfs/dbraw/zinc/26/39/47/735263947.db2.gz HEAUMSSINWNTIV-WFASDCNBSA-N 1 2 358.829 2.665 20 30 FFEDLO C[NH+]1CCN(c2ccc(N=Cc3ccc(O)c(O)c3O)cc2Cl)CC1 ZINC000749103726 735694731 /nfs/dbraw/zinc/69/47/31/735694731.db2.gz ACBWWAOBNHKPTA-UHFFFAOYSA-N 1 2 361.829 2.959 20 30 FFEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c1=S ZINC000752810210 736014106 /nfs/dbraw/zinc/01/41/06/736014106.db2.gz JARHJTDXPLAJKW-GOEBONIOSA-N 1 2 359.499 2.855 20 30 FFEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c1=S ZINC000752810210 736014109 /nfs/dbraw/zinc/01/41/09/736014109.db2.gz JARHJTDXPLAJKW-GOEBONIOSA-N 1 2 359.499 2.855 20 30 FFEDLO COc1ccc(CC2N=NC(=S)N2N=C2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000753955493 736110242 /nfs/dbraw/zinc/11/02/42/736110242.db2.gz NHYWJZVLFBNBKV-GFCCVEGCSA-N 1 2 357.483 2.627 20 30 FFEDLO COc1ccc(CC2N=NC(=S)N2N=C2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000753955493 736110244 /nfs/dbraw/zinc/11/02/44/736110244.db2.gz NHYWJZVLFBNBKV-GFCCVEGCSA-N 1 2 357.483 2.627 20 30 FFEDLO C=CCSc1nc2ccccc2n1C[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000763380920 736934289 /nfs/dbraw/zinc/93/42/89/736934289.db2.gz GKQPJNKFRDKCOF-CQSZACIVSA-N 1 2 365.524 2.781 20 30 FFEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000763380920 736934294 /nfs/dbraw/zinc/93/42/94/736934294.db2.gz GKQPJNKFRDKCOF-CQSZACIVSA-N 1 2 365.524 2.781 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)n2)CC1 ZINC000778255665 738367396 /nfs/dbraw/zinc/36/73/96/738367396.db2.gz DYYPIPIOZJOCCF-UHFFFAOYSA-N 1 2 356.857 2.615 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000930551467 739126233 /nfs/dbraw/zinc/12/62/33/739126233.db2.gz CASWCBAUHBDAHQ-GDBMZVCRSA-N 1 2 354.376 2.575 20 30 FFEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933053455 739564142 /nfs/dbraw/zinc/56/41/42/739564142.db2.gz ALWSUPYEFLLOMP-MRXNPFEDSA-N 1 2 365.271 2.827 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](Cc2sc(C)nc2C)CC1 ZINC000951584366 740441061 /nfs/dbraw/zinc/44/10/61/740441061.db2.gz HJXVTDVNXWJZOV-WMZOPIPTSA-N 1 2 363.527 2.775 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000960558107 740618932 /nfs/dbraw/zinc/61/89/32/740618932.db2.gz XNFUZDRXBLBJKX-XPABHHOTSA-N 1 2 367.312 2.807 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000960558107 740618937 /nfs/dbraw/zinc/61/89/37/740618937.db2.gz XNFUZDRXBLBJKX-XPABHHOTSA-N 1 2 367.312 2.807 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccncc2Cl)C1 ZINC000970572648 740752684 /nfs/dbraw/zinc/75/26/84/740752684.db2.gz XJTYNYXHMCLBLJ-SKDZVZGDSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2csc(CCC)n2)C1 ZINC000972375114 740827020 /nfs/dbraw/zinc/82/70/20/740827020.db2.gz ZRDYBKGETOOONS-BBWFWOEESA-N 1 2 363.527 2.719 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2csc(CCC)n2)C1 ZINC000972375114 740827025 /nfs/dbraw/zinc/82/70/25/740827025.db2.gz ZRDYBKGETOOONS-BBWFWOEESA-N 1 2 363.527 2.719 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cnc(Cl)s2)C1 ZINC000972529933 740834527 /nfs/dbraw/zinc/83/45/27/740834527.db2.gz SIJCQXNBMUNALR-QEJZJMRPSA-N 1 2 369.918 2.810 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cnc(Cl)s2)C1 ZINC000972529933 740834531 /nfs/dbraw/zinc/83/45/31/740834531.db2.gz SIJCQXNBMUNALR-QEJZJMRPSA-N 1 2 369.918 2.810 20 30 FFEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc(Cl)cc1F ZINC000805136068 740944015 /nfs/dbraw/zinc/94/40/15/740944015.db2.gz BDIFEDJFUGQKOA-INIZCTEOSA-N 1 2 367.852 2.563 20 30 FFEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc(Cl)cc1F ZINC000805136068 740944017 /nfs/dbraw/zinc/94/40/17/740944017.db2.gz BDIFEDJFUGQKOA-INIZCTEOSA-N 1 2 367.852 2.563 20 30 FFEDLO C#CCCS(=O)(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000808281300 741205917 /nfs/dbraw/zinc/20/59/17/741205917.db2.gz CTSSFQSLMJLGOT-SFHVURJKSA-N 1 2 374.531 2.790 20 30 FFEDLO C#CCCS(=O)(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000808281300 741205922 /nfs/dbraw/zinc/20/59/22/741205922.db2.gz CTSSFQSLMJLGOT-SFHVURJKSA-N 1 2 374.531 2.790 20 30 FFEDLO C#C[C@H](C)N(C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000812196169 741595189 /nfs/dbraw/zinc/59/51/89/741595189.db2.gz JSOVNWUVJPBXNF-LBPRGKRZSA-N 1 2 363.259 2.611 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000815631222 741949015 /nfs/dbraw/zinc/94/90/15/741949015.db2.gz SXNNNVJSSZUTEW-IMJJTQAJSA-N 1 2 365.861 2.722 20 30 FFEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001005724899 742265994 /nfs/dbraw/zinc/26/59/94/742265994.db2.gz ARZGOYOUCYVSIO-CWRNSKLLSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC001015725989 742479737 /nfs/dbraw/zinc/47/97/37/742479737.db2.gz HNUMUUIPEWCFLF-FMKPAKJESA-N 1 2 352.837 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001015725989 742479740 /nfs/dbraw/zinc/47/97/40/742479740.db2.gz HNUMUUIPEWCFLF-FMKPAKJESA-N 1 2 352.837 2.761 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC001024444740 742727062 /nfs/dbraw/zinc/72/70/62/742727062.db2.gz BESTWIGEPACINH-KURKYZTESA-N 1 2 363.889 2.882 20 30 FFEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC001024444740 742727066 /nfs/dbraw/zinc/72/70/66/742727066.db2.gz BESTWIGEPACINH-KURKYZTESA-N 1 2 363.889 2.882 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001024660914 742732812 /nfs/dbraw/zinc/73/28/12/742732812.db2.gz STPGJPDSESCBTJ-ZACQAIPSSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001024660914 742732816 /nfs/dbraw/zinc/73/28/16/742732816.db2.gz STPGJPDSESCBTJ-ZACQAIPSSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)n1 ZINC001028197405 742790530 /nfs/dbraw/zinc/79/05/30/742790530.db2.gz HGQDDPUZDXJOFL-BQFCYCMXSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(Cl)n1 ZINC001028197405 742790533 /nfs/dbraw/zinc/79/05/33/742790533.db2.gz HGQDDPUZDXJOFL-BQFCYCMXSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001033431137 742887336 /nfs/dbraw/zinc/88/73/36/742887336.db2.gz BLPAXDMELLCFIH-JZXOWHBKSA-N 1 2 350.409 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001033431137 742887350 /nfs/dbraw/zinc/88/73/50/742887350.db2.gz BLPAXDMELLCFIH-JZXOWHBKSA-N 1 2 350.409 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC001033432047 742887770 /nfs/dbraw/zinc/88/77/70/742887770.db2.gz KOCWONLXTICPMX-NUJGCVRESA-N 1 2 350.409 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001033432047 742887779 /nfs/dbraw/zinc/88/77/79/742887779.db2.gz KOCWONLXTICPMX-NUJGCVRESA-N 1 2 350.409 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2csc(CC)n2)C1 ZINC001033960711 742908454 /nfs/dbraw/zinc/90/84/54/742908454.db2.gz GOTMEIFGCNCOFX-ZACQAIPSSA-N 1 2 363.527 2.719 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2csc(CC)n2)C1 ZINC001033960711 742908460 /nfs/dbraw/zinc/90/84/60/742908460.db2.gz GOTMEIFGCNCOFX-ZACQAIPSSA-N 1 2 363.527 2.719 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001042743219 743114435 /nfs/dbraw/zinc/11/44/35/743114435.db2.gz ILNLGDZMQXCEIJ-YUELXQCFSA-N 1 2 361.313 2.694 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](Cc2ccc(C(F)F)cc2)C1 ZINC001043922655 743228017 /nfs/dbraw/zinc/22/80/17/743228017.db2.gz GZWMFRCEBBAANX-SJORKVTESA-N 1 2 350.409 2.858 20 30 FFEDLO COC(=O)/C=C\c1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)o1 ZINC000826894756 743464904 /nfs/dbraw/zinc/46/49/04/743464904.db2.gz VXNYKJSFXHUQFP-PLNGDYQASA-N 1 2 357.435 2.721 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cscn1 ZINC001049487716 743466482 /nfs/dbraw/zinc/46/64/82/743466482.db2.gz VBLIZYQVCVSGDX-TVFCKZIOSA-N 1 2 361.511 2.690 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cscn1 ZINC001049487716 743466485 /nfs/dbraw/zinc/46/64/85/743466485.db2.gz VBLIZYQVCVSGDX-TVFCKZIOSA-N 1 2 361.511 2.690 20 30 FFEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)O2 ZINC001053675569 744998250 /nfs/dbraw/zinc/99/82/50/744998250.db2.gz PJHNZPKJGKGQIO-OKZBNKHCSA-N 1 2 360.885 2.979 20 30 FFEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)C#Cc2cccs2)c2ccc(Cl)cc2)C1 ZINC000828109628 745030087 /nfs/dbraw/zinc/03/00/87/745030087.db2.gz OPCYCICZQHYWIN-PKOBYXMFSA-N 1 2 374.893 2.941 20 30 FFEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)C#Cc2cccs2)c2ccc(Cl)cc2)C1 ZINC000828109628 745030092 /nfs/dbraw/zinc/03/00/92/745030092.db2.gz OPCYCICZQHYWIN-PKOBYXMFSA-N 1 2 374.893 2.941 20 30 FFEDLO C#CC1CC[NH+](CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000830329749 745339414 /nfs/dbraw/zinc/33/94/14/745339414.db2.gz FFGGBBAOCQQEGW-UHFFFAOYSA-N 1 2 356.285 2.568 20 30 FFEDLO C#C[C@@H](NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCCO1 ZINC000836408671 746214918 /nfs/dbraw/zinc/21/49/18/746214918.db2.gz NWNHOZHRQMVKAQ-NVXWUHKLSA-N 1 2 358.829 2.506 20 30 FFEDLO COC(=O)Cc1ccc(N[NH+]=Cc2ccc(N3CCOCC3)s2)cc1 ZINC000844606987 748059268 /nfs/dbraw/zinc/05/92/68/748059268.db2.gz KXMRHFLKMXLDKV-UHFFFAOYSA-N 1 2 359.451 2.746 20 30 FFEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1C[C@H](C)O[C@H](C(=O)OC)C1 ZINC000844736541 748086958 /nfs/dbraw/zinc/08/69/58/748086958.db2.gz CDHRCXQNPDGLDC-BBRMVZONSA-N 1 2 361.467 2.534 20 30 FFEDLO C=CCSc1nc2ccccc2n1C[N@H+]1C[C@H](C)O[C@H](C(=O)OC)C1 ZINC000844736541 748086967 /nfs/dbraw/zinc/08/69/67/748086967.db2.gz CDHRCXQNPDGLDC-BBRMVZONSA-N 1 2 361.467 2.534 20 30 FFEDLO COc1cc(Br)cc(C(C)=NNCCCn2cc[nH+]c2)c1O ZINC000848416749 748920683 /nfs/dbraw/zinc/92/06/83/748920683.db2.gz WSKLHRWSAQDQFE-UHFFFAOYSA-N 1 2 367.247 2.764 20 30 FFEDLO Cc1cc(Br)cn2c(C=NNCCCn3cc[nH+]c3)cnc12 ZINC000848417092 748920893 /nfs/dbraw/zinc/92/08/93/748920893.db2.gz KJQHZMKUPZSFEJ-UHFFFAOYSA-N 1 2 361.247 2.616 20 30 FFEDLO C#C[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(F)cc3Cl)C2=O)C1 ZINC000848493228 748940779 /nfs/dbraw/zinc/94/07/79/748940779.db2.gz KNOXJKZSDOPFPG-SGTLLEGYSA-N 1 2 363.820 2.549 20 30 FFEDLO C#C[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(F)cc3Cl)C2=O)C1 ZINC000848493228 748940784 /nfs/dbraw/zinc/94/07/84/748940784.db2.gz KNOXJKZSDOPFPG-SGTLLEGYSA-N 1 2 363.820 2.549 20 30 FFEDLO C[C@@H]1CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)[C@H]1CCO ZINC000852460038 749865937 /nfs/dbraw/zinc/86/59/37/749865937.db2.gz ZHOSFMXROPHXAU-YCPHGPKFSA-N 1 2 357.479 2.955 20 30 FFEDLO C[C@@H]1CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)[C@H]1CCO ZINC000852460038 749865939 /nfs/dbraw/zinc/86/59/39/749865939.db2.gz ZHOSFMXROPHXAU-YCPHGPKFSA-N 1 2 357.479 2.955 20 30 FFEDLO C[C@]1(c2ccc(Cl)cc2)CC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853524393 750082739 /nfs/dbraw/zinc/08/27/39/750082739.db2.gz MRSISLLGVXTRNZ-AUUYWEPGSA-N 1 2 359.857 2.940 20 30 FFEDLO C[C@]1(c2ccc(Cl)cc2)CC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853524393 750082742 /nfs/dbraw/zinc/08/27/42/750082742.db2.gz MRSISLLGVXTRNZ-AUUYWEPGSA-N 1 2 359.857 2.940 20 30 FFEDLO C=CC[C@H]1CCC[N@@H+](Cn2nc(C(=O)OC)c(Br)c2C)C1 ZINC000853536879 750087141 /nfs/dbraw/zinc/08/71/41/750087141.db2.gz JYXKSFBQGXAUNY-LBPRGKRZSA-N 1 2 356.264 2.986 20 30 FFEDLO C=CC[C@H]1CCC[N@H+](Cn2nc(C(=O)OC)c(Br)c2C)C1 ZINC000853536879 750087144 /nfs/dbraw/zinc/08/71/44/750087144.db2.gz JYXKSFBQGXAUNY-LBPRGKRZSA-N 1 2 356.264 2.986 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001059440800 971726293 /nfs/dbraw/zinc/72/62/93/971726293.db2.gz JXMLMRDIEOPZLR-MRHSLFKSSA-N 1 2 370.497 2.704 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029511794 972394616 /nfs/dbraw/zinc/39/46/16/972394616.db2.gz CABCGFMQUQFLCR-WOZUAGRISA-N 1 2 365.477 2.715 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029511794 972394630 /nfs/dbraw/zinc/39/46/30/972394630.db2.gz CABCGFMQUQFLCR-WOZUAGRISA-N 1 2 365.477 2.715 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969690980 959766529 /nfs/dbraw/zinc/76/65/29/959766529.db2.gz DQJAVRAWWOSQHN-QMIHWGKISA-N 1 2 371.456 2.615 20 30 FFEDLO C#CC[NH+]1CCN(Cn2ncc3ccc(OCc4ccccc4)cc32)CC1 ZINC000748087671 959904684 /nfs/dbraw/zinc/90/46/84/959904684.db2.gz ZPEQRZUFYCEMOZ-UHFFFAOYSA-N 1 2 360.461 2.824 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@H](C(F)F)CC2)cc1C ZINC000872269309 1013194313 /nfs/dbraw/zinc/19/43/13/1013194313.db2.gz PYSWGFJZNMTWRG-KRWDZBQOSA-N 1 2 365.424 2.906 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@H](C(F)F)CC2)cc1C ZINC000872269309 1013194317 /nfs/dbraw/zinc/19/43/17/1013194317.db2.gz PYSWGFJZNMTWRG-KRWDZBQOSA-N 1 2 365.424 2.906 20 30 FFEDLO Cc1ncsc1C[NH+]1CC2(CN(C(=O)c3cc(Cl)cc(C#N)c3)C2)C1 ZINC001279106713 960321602 /nfs/dbraw/zinc/32/16/02/960321602.db2.gz KZDNZQDSDYVALC-UHFFFAOYSA-N 1 2 372.881 2.935 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CCCN(c3cc(OC)cc(OC)c3)CC2)nn1 ZINC000653568564 960475541 /nfs/dbraw/zinc/47/55/41/960475541.db2.gz BUEFKUUCPGKVFA-UHFFFAOYSA-N 1 2 371.485 2.584 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CCCN(c3cc(OC)cc(OC)c3)CC2)nn1 ZINC000653568564 960475550 /nfs/dbraw/zinc/47/55/50/960475550.db2.gz BUEFKUUCPGKVFA-UHFFFAOYSA-N 1 2 371.485 2.584 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000970220622 960935709 /nfs/dbraw/zinc/93/57/09/960935709.db2.gz GPQSKIHLYJHPGX-GJYPPUQNSA-N 1 2 359.470 2.614 20 30 FFEDLO N#Cc1c2c(sc1Nc1cnn(CC[NH+]3CCOCC3)c1)CCCC2 ZINC001174489136 1013218909 /nfs/dbraw/zinc/21/89/09/1013218909.db2.gz FJLZDKNSGRRHIU-UHFFFAOYSA-N 1 2 357.483 2.771 20 30 FFEDLO N#Cc1cc(Nc2cnn(CC[NH+]3CCOCC3)c2)cc(C(F)(F)F)c1 ZINC001174492353 1013221196 /nfs/dbraw/zinc/22/11/96/1013221196.db2.gz BYRCYKFCNBFEHH-UHFFFAOYSA-N 1 2 365.359 2.849 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3csc(Br)n3)C2)C1=O ZINC001275964853 1013234908 /nfs/dbraw/zinc/23/49/08/1013234908.db2.gz VABJSXWDNVWQPN-OAHLLOKOSA-N 1 2 370.316 2.906 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CC[N@@H+](Cc3csc(Br)n3)C2)C1=O ZINC001275964853 1013234918 /nfs/dbraw/zinc/23/49/18/1013234918.db2.gz VABJSXWDNVWQPN-OAHLLOKOSA-N 1 2 370.316 2.906 20 30 FFEDLO CC(C)CCc1noc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H](C)C#N)n1 ZINC001087134123 963046042 /nfs/dbraw/zinc/04/60/42/963046042.db2.gz DCLKMIRVSUVJKO-OAGGEKHMSA-N 1 2 361.490 2.535 20 30 FFEDLO CC(C)CCc1noc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H](C)C#N)n1 ZINC001087134124 963046063 /nfs/dbraw/zinc/04/60/63/963046063.db2.gz DCLKMIRVSUVJKO-PMPSAXMXSA-N 1 2 361.490 2.535 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(F)c1 ZINC001111488837 963070806 /nfs/dbraw/zinc/07/08/06/963070806.db2.gz WWPDUBPWSGHWAE-FOZNTRSISA-N 1 2 350.409 2.777 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(F)c1 ZINC001111488837 963070818 /nfs/dbraw/zinc/07/08/18/963070818.db2.gz WWPDUBPWSGHWAE-FOZNTRSISA-N 1 2 350.409 2.777 20 30 FFEDLO C=C(C)CN1CC2(C[NH+](Cc3ccc(O)c4ccccc34)C2)OCC1=O ZINC001276081744 1013417401 /nfs/dbraw/zinc/41/74/01/1013417401.db2.gz UXEYFVIMJUAZEW-UHFFFAOYSA-N 1 2 352.434 2.535 20 30 FFEDLO C=CCn1ncc2ccc(NC(=O)N3C[C@@H]([NH+]4CCOCC4)C[C@H]3C)cc21 ZINC000933077497 963432423 /nfs/dbraw/zinc/43/24/23/963432423.db2.gz NIKOUKQDYGFWIU-QAPCUYQASA-N 1 2 369.469 2.549 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971556679 964161109 /nfs/dbraw/zinc/16/11/09/964161109.db2.gz UJBHZXCTWWBCFE-ZCNNSNEGSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971556679 964161119 /nfs/dbraw/zinc/16/11/19/964161119.db2.gz UJBHZXCTWWBCFE-ZCNNSNEGSA-N 1 2 371.456 2.711 20 30 FFEDLO N#CCn1c(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)nc2ccccc2c1=O ZINC000780372517 964385914 /nfs/dbraw/zinc/38/59/14/964385914.db2.gz JQRZNVIZXUMSCZ-QGZVFWFLSA-N 1 2 374.444 2.821 20 30 FFEDLO N#CCn1c(C[N@H+]2CC[C@@H](COc3ccccc3)C2)nc2ccccc2c1=O ZINC000780372517 964385929 /nfs/dbraw/zinc/38/59/29/964385929.db2.gz JQRZNVIZXUMSCZ-QGZVFWFLSA-N 1 2 374.444 2.821 20 30 FFEDLO COc1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(O)c1OC ZINC000891494476 964386367 /nfs/dbraw/zinc/38/63/67/964386367.db2.gz BLUBQWOILNRTMG-UHFFFAOYSA-N 1 2 367.449 2.599 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1C(C)(C)C)C1CC[NH+](Cc2nccn2C)CC1 ZINC001270325704 964956127 /nfs/dbraw/zinc/95/61/27/964956127.db2.gz KYQNOUJSECLGFM-QZTJIDSGSA-N 1 2 356.514 2.529 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2oncc2C)C1 ZINC001087469317 965293880 /nfs/dbraw/zinc/29/38/80/965293880.db2.gz WAZJJIZDYTVZBM-QZTJIDSGSA-N 1 2 355.413 2.733 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2oncc2C)C1 ZINC001087469317 965293889 /nfs/dbraw/zinc/29/38/89/965293889.db2.gz WAZJJIZDYTVZBM-QZTJIDSGSA-N 1 2 355.413 2.733 20 30 FFEDLO COc1ccc(F)c(F)c1C[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001143412521 965299130 /nfs/dbraw/zinc/29/91/30/965299130.db2.gz YXLNVEUUDAFTJG-UHFFFAOYSA-N 1 2 358.392 2.952 20 30 FFEDLO COc1ccc(F)c(F)c1C[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001143412521 965299149 /nfs/dbraw/zinc/29/91/49/965299149.db2.gz YXLNVEUUDAFTJG-UHFFFAOYSA-N 1 2 358.392 2.952 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC001087472727 965462198 /nfs/dbraw/zinc/46/21/98/965462198.db2.gz ULRXRENWHDVSPG-OALUTQOASA-N 1 2 352.434 2.818 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC001087472727 965462211 /nfs/dbraw/zinc/46/22/11/965462211.db2.gz ULRXRENWHDVSPG-OALUTQOASA-N 1 2 352.434 2.818 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)c4ccc(F)c(Cl)c4)C3)C2)cc1C#N ZINC001270781588 965917404 /nfs/dbraw/zinc/91/74/04/965917404.db2.gz YWBYSINCECQZPR-UHFFFAOYSA-N 1 2 372.831 2.647 20 30 FFEDLO CCCCc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)cs1 ZINC001075770641 966025341 /nfs/dbraw/zinc/02/53/41/966025341.db2.gz DSULCZZYMMDVNB-FUHWJXTLSA-N 1 2 357.523 2.932 20 30 FFEDLO CCCCc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)cs1 ZINC001075770641 966025353 /nfs/dbraw/zinc/02/53/53/966025353.db2.gz DSULCZZYMMDVNB-FUHWJXTLSA-N 1 2 357.523 2.932 20 30 FFEDLO C=CC1(CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000934316956 966260339 /nfs/dbraw/zinc/26/03/39/966260339.db2.gz RQBKFGRVXAJCSO-UHFFFAOYSA-N 1 2 374.485 2.929 20 30 FFEDLO C=CC1(CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000934316956 966260348 /nfs/dbraw/zinc/26/03/48/966260348.db2.gz RQBKFGRVXAJCSO-UHFFFAOYSA-N 1 2 374.485 2.929 20 30 FFEDLO C#C[C@@H](NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000773553952 1013645142 /nfs/dbraw/zinc/64/51/42/1013645142.db2.gz DEHKHUUMCIRHKS-MOPGFXCFSA-N 1 2 370.497 2.510 20 30 FFEDLO COC(=O)COc1ccccc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000892245679 966372923 /nfs/dbraw/zinc/37/29/23/966372923.db2.gz YOIPKUPPVUJQLC-FQEVSTJZSA-N 1 2 366.417 2.684 20 30 FFEDLO COC(=O)COc1ccccc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000892245679 966372931 /nfs/dbraw/zinc/37/29/31/966372931.db2.gz YOIPKUPPVUJQLC-FQEVSTJZSA-N 1 2 366.417 2.684 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(C(C)(C)C)on2)C1 ZINC000972375020 966871666 /nfs/dbraw/zinc/87/16/66/966871666.db2.gz YGKQDEKJCRPVIO-BBWFWOEESA-N 1 2 361.486 2.596 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C(C)(C)C)on2)C1 ZINC000972375020 966871675 /nfs/dbraw/zinc/87/16/75/966871675.db2.gz YGKQDEKJCRPVIO-BBWFWOEESA-N 1 2 361.486 2.596 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCCO2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087509422 967507497 /nfs/dbraw/zinc/50/74/97/967507497.db2.gz CWGXDRKNHBPBMI-CEXWTWQISA-N 1 2 359.445 2.736 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCCO2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087509422 967507503 /nfs/dbraw/zinc/50/75/03/967507503.db2.gz CWGXDRKNHBPBMI-CEXWTWQISA-N 1 2 359.445 2.736 20 30 FFEDLO CC[C@@H]1C[C@H]1C(=O)N1CC[C@]2(C1)C[N@H+](Cc1cc(C#N)ccc1F)CCO2 ZINC000972564140 967808213 /nfs/dbraw/zinc/80/82/13/967808213.db2.gz HVEXZOSGKAQJHC-HGHGUNKESA-N 1 2 371.456 2.547 20 30 FFEDLO CC[C@@H]1C[C@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](Cc1cc(C#N)ccc1F)CCO2 ZINC000972564140 967808227 /nfs/dbraw/zinc/80/82/27/967808227.db2.gz HVEXZOSGKAQJHC-HGHGUNKESA-N 1 2 371.456 2.547 20 30 FFEDLO COC(=O)c1cnc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)s1 ZINC000895149418 967941608 /nfs/dbraw/zinc/94/16/08/967941608.db2.gz GMMPTMLECWGGAP-UHFFFAOYSA-N 1 2 370.478 2.556 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC001176793335 1013773175 /nfs/dbraw/zinc/77/31/75/1013773175.db2.gz KFKUTDXNYMDFRD-UHFFFAOYSA-N 1 2 360.845 2.653 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc3c(o2)CCCC3)[C@@H]1CC ZINC001087732431 968791922 /nfs/dbraw/zinc/79/19/22/968791922.db2.gz VNLNYKFNTIPZCJ-ATLSCFEFSA-N 1 2 373.497 2.614 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc3c(o2)CCCC3)[C@@H]1CC ZINC001087732431 968791927 /nfs/dbraw/zinc/79/19/27/968791927.db2.gz VNLNYKFNTIPZCJ-ATLSCFEFSA-N 1 2 373.497 2.614 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCOC2)[C@H]1CC ZINC001087832795 970474588 /nfs/dbraw/zinc/47/45/88/970474588.db2.gz YNLSKMKLTCYOCA-SOUVJXGZSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCOC2)[C@H]1CC ZINC001087832795 970474593 /nfs/dbraw/zinc/47/45/93/970474593.db2.gz YNLSKMKLTCYOCA-SOUVJXGZSA-N 1 2 359.308 2.681 20 30 FFEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000875617461 1014053948 /nfs/dbraw/zinc/05/39/48/1014053948.db2.gz IKXBASVNOUAHGT-RBUKOAKNSA-N 1 2 358.486 2.832 20 30 FFEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000875617461 1014053950 /nfs/dbraw/zinc/05/39/50/1014053950.db2.gz IKXBASVNOUAHGT-RBUKOAKNSA-N 1 2 358.486 2.832 20 30 FFEDLO C[C@@H](C#N)Nc1ccccc1OCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000840782196 973142186 /nfs/dbraw/zinc/14/21/86/973142186.db2.gz WQZSQWPYYYBBQF-INIZCTEOSA-N 1 2 374.485 2.942 20 30 FFEDLO NC(=[NH+]OCC(=O)NCc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000021387677 1014116514 /nfs/dbraw/zinc/11/65/14/1014116514.db2.gz VBFSFHCTLOXNQM-UHFFFAOYSA-N 1 2 367.327 2.539 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)[C@H](C)COC ZINC000661243819 973978768 /nfs/dbraw/zinc/97/87/68/973978768.db2.gz NWQXZZIDSAHKHI-OAHLLOKOSA-N 1 2 360.433 2.781 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)[C@H](C)COC ZINC000661243819 973978776 /nfs/dbraw/zinc/97/87/76/973978776.db2.gz NWQXZZIDSAHKHI-OAHLLOKOSA-N 1 2 360.433 2.781 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2cncc(F)c2)CC1(C)C ZINC000977324550 974743140 /nfs/dbraw/zinc/74/31/40/974743140.db2.gz HHDVEKSQCXIMDH-BZSNNMDCSA-N 1 2 361.461 2.529 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@@H+](Cc2cncc(F)c2)CC1(C)C ZINC000977324550 974743145 /nfs/dbraw/zinc/74/31/45/974743145.db2.gz HHDVEKSQCXIMDH-BZSNNMDCSA-N 1 2 361.461 2.529 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC001027586058 974931156 /nfs/dbraw/zinc/93/11/56/974931156.db2.gz WJWNJUVYSCTEEH-NUJGCVRESA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ncoc2C(C)C)C1 ZINC001027586058 974931163 /nfs/dbraw/zinc/93/11/63/974931163.db2.gz WJWNJUVYSCTEEH-NUJGCVRESA-N 1 2 361.486 2.812 20 30 FFEDLO Cc1ncsc1C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001075578445 975325444 /nfs/dbraw/zinc/32/54/44/975325444.db2.gz UXNQDDCORIISLH-DLBZAZTESA-N 1 2 352.463 2.670 20 30 FFEDLO Cc1ncsc1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001075578445 975325448 /nfs/dbraw/zinc/32/54/48/975325448.db2.gz UXNQDDCORIISLH-DLBZAZTESA-N 1 2 352.463 2.670 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC001027890214 975697072 /nfs/dbraw/zinc/69/70/72/975697072.db2.gz SKTBOWFQSMVHLQ-BBWFWOEESA-N 1 2 359.470 2.614 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ncc(C2CC2)o1 ZINC001027890214 975697079 /nfs/dbraw/zinc/69/70/79/975697079.db2.gz SKTBOWFQSMVHLQ-BBWFWOEESA-N 1 2 359.470 2.614 20 30 FFEDLO CC(C)n1cnc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)c1 ZINC001088771764 976082875 /nfs/dbraw/zinc/08/28/75/976082875.db2.gz XIZPTYZLLQHTDS-KDOFPFPSSA-N 1 2 369.444 2.868 20 30 FFEDLO CC(C)n1cnc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)c1 ZINC001088771764 976082887 /nfs/dbraw/zinc/08/28/87/976082887.db2.gz XIZPTYZLLQHTDS-KDOFPFPSSA-N 1 2 369.444 2.868 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000981186413 976311950 /nfs/dbraw/zinc/31/19/50/976311950.db2.gz ROZIAKBZHNSZTI-QUCCMNQESA-N 1 2 371.456 2.713 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000981186413 976311957 /nfs/dbraw/zinc/31/19/57/976311957.db2.gz ROZIAKBZHNSZTI-QUCCMNQESA-N 1 2 371.456 2.713 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2nsc3ccccc32)CC1 ZINC000981994738 977076546 /nfs/dbraw/zinc/07/65/46/977076546.db2.gz RZDHMEIXXHDBRM-AEFFLSMTSA-N 1 2 371.506 2.922 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2nsc3ccccc32)CC1 ZINC000981994738 977076554 /nfs/dbraw/zinc/07/65/54/977076554.db2.gz RZDHMEIXXHDBRM-AEFFLSMTSA-N 1 2 371.506 2.922 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)nn1 ZINC000653574374 1014379704 /nfs/dbraw/zinc/37/97/04/1014379704.db2.gz UQTQRDHHHUGSCU-UHFFFAOYSA-N 1 2 365.481 2.656 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(-c4ccccc4F)o3)C[C@H]21 ZINC001075615892 977313520 /nfs/dbraw/zinc/31/35/20/977313520.db2.gz CBXDMYRCYGZRHB-GRDNDAEWSA-N 1 2 368.412 2.673 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(-c4ccccc4F)o3)C[C@H]21 ZINC001075615892 977313527 /nfs/dbraw/zinc/31/35/27/977313527.db2.gz CBXDMYRCYGZRHB-GRDNDAEWSA-N 1 2 368.412 2.673 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000982173269 977323232 /nfs/dbraw/zinc/32/32/32/977323232.db2.gz JWXMPTVCFIYAAE-ICSRJNTNSA-N 1 2 371.456 2.713 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000982173269 977323239 /nfs/dbraw/zinc/32/32/39/977323239.db2.gz JWXMPTVCFIYAAE-ICSRJNTNSA-N 1 2 371.456 2.713 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC[C@@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC001481703358 977402244 /nfs/dbraw/zinc/40/22/44/977402244.db2.gz UZJRLNTWAKJGAZ-FRRDWIJNSA-N 1 2 354.800 2.820 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC001481703358 977402251 /nfs/dbraw/zinc/40/22/51/977402251.db2.gz UZJRLNTWAKJGAZ-FRRDWIJNSA-N 1 2 354.800 2.820 20 30 FFEDLO N#Cc1ccccc1OCC[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000759987453 977728366 /nfs/dbraw/zinc/72/83/66/977728366.db2.gz DVZTYSURMYQARP-UHFFFAOYSA-N 1 2 362.355 2.572 20 30 FFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000664086782 978006202 /nfs/dbraw/zinc/00/62/02/978006202.db2.gz YDJNVYKOCZOHIU-NJYVYQBISA-N 1 2 369.509 2.823 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)c4nc(CC)no4)C[C@H]32)CC1 ZINC001076209625 979228543 /nfs/dbraw/zinc/22/85/43/979228543.db2.gz AMEXWDHSDHJUMC-BHYGNILZSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)c4nc(CC)no4)C[C@H]32)CC1 ZINC001076209625 979228553 /nfs/dbraw/zinc/22/85/53/979228553.db2.gz AMEXWDHSDHJUMC-BHYGNILZSA-N 1 2 358.486 2.972 20 30 FFEDLO Cc1nnc(NCCSCc2csc(C[NH+](C)C)n2)c(C#N)c1C ZINC001168108830 979430925 /nfs/dbraw/zinc/43/09/25/979430925.db2.gz HIJVXIHTSZFACG-UHFFFAOYSA-N 1 2 362.528 2.829 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(F)cc4F)C[C@H]32)nc1 ZINC001076476128 979556680 /nfs/dbraw/zinc/55/66/80/979556680.db2.gz XAPDISZPVFVCAL-OXJNMPFZSA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(F)cc4F)C[C@H]32)nc1 ZINC001076476128 979556688 /nfs/dbraw/zinc/55/66/88/979556688.db2.gz XAPDISZPVFVCAL-OXJNMPFZSA-N 1 2 367.399 2.688 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(NC(C)=O)ccc3C)[C@@H]2C1 ZINC001076643728 979748453 /nfs/dbraw/zinc/74/84/53/979748453.db2.gz MILAJYVCMIUQGP-MAUKXSAKSA-N 1 2 361.873 2.852 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(NC(C)=O)ccc3C)[C@@H]2C1 ZINC001076643728 979748457 /nfs/dbraw/zinc/74/84/57/979748457.db2.gz MILAJYVCMIUQGP-MAUKXSAKSA-N 1 2 361.873 2.852 20 30 FFEDLO C=CCNC(=O)c1cccc(-c2noc(Cc3cn4c([nH+]3)CCCC4)n2)c1 ZINC000650549232 1014607615 /nfs/dbraw/zinc/60/76/15/1014607615.db2.gz PNZWHXQFULUYGD-UHFFFAOYSA-N 1 2 363.421 2.776 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001060176978 980127841 /nfs/dbraw/zinc/12/78/41/980127841.db2.gz KXJAHHJXISWJPY-KURKYZTESA-N 1 2 370.497 2.729 20 30 FFEDLO N#C[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC2CCC1CC2 ZINC000905313256 980415196 /nfs/dbraw/zinc/41/51/96/980415196.db2.gz JFXVBBYQBRIIEO-QVHXHXEWSA-N 1 2 367.493 2.855 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(F)cn2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088534939 980467070 /nfs/dbraw/zinc/46/70/70/980467070.db2.gz VGUJQGALBFZKMV-PXAZEXFGSA-N 1 2 356.376 2.624 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(F)cn2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088534939 980467073 /nfs/dbraw/zinc/46/70/73/980467073.db2.gz VGUJQGALBFZKMV-PXAZEXFGSA-N 1 2 356.376 2.624 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001059855713 980996172 /nfs/dbraw/zinc/99/61/72/980996172.db2.gz ZBNOGILDSRKMLZ-DFGXFYAUSA-N 1 2 358.486 2.949 20 30 FFEDLO CO[C@@H]1C[N@H+](CCc2cccc(Cl)c2Cl)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041403 981468677 /nfs/dbraw/zinc/46/86/77/981468677.db2.gz ONQUVYJWEBNRSF-KCPJHIHWSA-N 1 2 370.280 2.511 20 30 FFEDLO CO[C@@H]1C[N@@H+](CCc2cccc(Cl)c2Cl)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041403 981468681 /nfs/dbraw/zinc/46/86/81/981468681.db2.gz ONQUVYJWEBNRSF-KCPJHIHWSA-N 1 2 370.280 2.511 20 30 FFEDLO C=CCn1c([C@H]2CCCO2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000908675792 981501839 /nfs/dbraw/zinc/50/18/39/981501839.db2.gz MXDHQJUSWSOAPO-MRXNPFEDSA-N 1 2 354.458 2.792 20 30 FFEDLO C=CCCn1cc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)nn1 ZINC000877817835 1014740289 /nfs/dbraw/zinc/74/02/89/1014740289.db2.gz WOGFOZKFHCZKKP-HNAYVOBHSA-N 1 2 361.490 2.543 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)nn1 ZINC000877817835 1014740296 /nfs/dbraw/zinc/74/02/96/1014740296.db2.gz WOGFOZKFHCZKKP-HNAYVOBHSA-N 1 2 361.490 2.543 20 30 FFEDLO CC(=O)[C@](C#N)(CC[NH+]1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000877966031 1014788382 /nfs/dbraw/zinc/78/83/82/1014788382.db2.gz XDEZRTZGBDGRQU-JOCHJYFZSA-N 1 2 373.460 2.516 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001059958613 982092533 /nfs/dbraw/zinc/09/25/33/982092533.db2.gz ANXLGQBOKCBMQF-NXHRZFHOSA-N 1 2 370.497 2.586 20 30 FFEDLO COC(=O)c1cc(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)[nH]1 ZINC000878002136 1014804871 /nfs/dbraw/zinc/80/48/71/1014804871.db2.gz OIWFRFDQQAZQKD-UHFFFAOYSA-N 1 2 351.406 2.829 20 30 FFEDLO COC(=O)c1cc(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)[nH]1 ZINC000878002136 1014804880 /nfs/dbraw/zinc/80/48/80/1014804880.db2.gz OIWFRFDQQAZQKD-UHFFFAOYSA-N 1 2 351.406 2.829 20 30 FFEDLO COc1nccc(CO[NH+]=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000842017830 982581586 /nfs/dbraw/zinc/58/15/86/982581586.db2.gz SQZUVZDHCRTSEP-UHFFFAOYSA-N 1 2 357.370 2.544 20 30 FFEDLO C#CCOc1cccc(Cl)c1C[NH2+][C@H]1CCCn2nc(C(=O)OC)cc21 ZINC000897986509 982584275 /nfs/dbraw/zinc/58/42/75/982584275.db2.gz CMEIRLHBPXTVMW-HNNXBMFYSA-N 1 2 373.840 2.960 20 30 FFEDLO O=C(Cc1cn2c([nH+]1)CCCC2)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000651051885 1014960468 /nfs/dbraw/zinc/96/04/68/1014960468.db2.gz WWOOPYYKLLZYAG-UHFFFAOYSA-N 1 2 361.367 2.949 20 30 FFEDLO CCc1nnc(C[N@@H+]2CC[C@@]3(CNC(=O)C#CC(C)C)CCC[C@@H]23)s1 ZINC001107397223 984504873 /nfs/dbraw/zinc/50/48/73/984504873.db2.gz YDPLZSMKYYPHGI-DNVCBOLYSA-N 1 2 360.527 2.621 20 30 FFEDLO CCc1nnc(C[N@H+]2CC[C@@]3(CNC(=O)C#CC(C)C)CCC[C@@H]23)s1 ZINC001107397223 984504880 /nfs/dbraw/zinc/50/48/80/984504880.db2.gz YDPLZSMKYYPHGI-DNVCBOLYSA-N 1 2 360.527 2.621 20 30 FFEDLO CC(C)n1ncnc1C[N@@H+]1CC[C@@]2(CNC(=O)C#CC(C)(C)C)CCC[C@@H]12 ZINC001107400034 984508048 /nfs/dbraw/zinc/50/80/48/984508048.db2.gz WUVJWWVPRCBKDJ-DYESRHJHSA-N 1 2 371.529 2.769 20 30 FFEDLO CC(C)n1ncnc1C[N@H+]1CC[C@@]2(CNC(=O)C#CC(C)(C)C)CCC[C@@H]12 ZINC001107400034 984508056 /nfs/dbraw/zinc/50/80/56/984508056.db2.gz WUVJWWVPRCBKDJ-DYESRHJHSA-N 1 2 371.529 2.769 20 30 FFEDLO C[C@@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)c1nc(Cc2ccccc2)no1 ZINC000158147878 984791461 /nfs/dbraw/zinc/79/14/61/984791461.db2.gz YKGQIPOZBZOOHL-CYBMUJFWSA-N 1 2 364.405 2.993 20 30 FFEDLO COC(C)(C)C[C@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000172947704 985720748 /nfs/dbraw/zinc/72/07/48/985720748.db2.gz BWRYTILLQMVJHV-ZDUSSCGKSA-N 1 2 356.470 2.850 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088997875 985859620 /nfs/dbraw/zinc/85/96/20/985859620.db2.gz OKRUKINICRFMCW-SKDRFNHKSA-N 1 2 350.831 2.654 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088997875 985859629 /nfs/dbraw/zinc/85/96/29/985859629.db2.gz OKRUKINICRFMCW-SKDRFNHKSA-N 1 2 350.831 2.654 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cccc(N(C)C)c2)[C@H]1C ZINC001089002438 985867360 /nfs/dbraw/zinc/86/73/60/985867360.db2.gz MPZWNFHVDRUISX-CJNGLKHVSA-N 1 2 366.303 2.854 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cccc(N(C)C)c2)[C@H]1C ZINC001089002438 985867364 /nfs/dbraw/zinc/86/73/64/985867364.db2.gz MPZWNFHVDRUISX-CJNGLKHVSA-N 1 2 366.303 2.854 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cc2ccccc2F)[C@H]1C ZINC001089017610 985926209 /nfs/dbraw/zinc/92/62/09/985926209.db2.gz NNTZNZDRENBXMH-DOMZBBRYSA-N 1 2 355.251 2.856 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2F)[C@H]1C ZINC001089017610 985926215 /nfs/dbraw/zinc/92/62/15/985926215.db2.gz NNTZNZDRENBXMH-DOMZBBRYSA-N 1 2 355.251 2.856 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(Cl)s3)C[C@H]2OC)CCC1 ZINC001212393284 986018172 /nfs/dbraw/zinc/01/81/72/986018172.db2.gz KHLCTWJEXXZGJO-HUUCEWRRSA-N 1 2 366.914 2.911 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(Cl)s3)C[C@H]2OC)CCC1 ZINC001212393284 986018180 /nfs/dbraw/zinc/01/81/80/986018180.db2.gz KHLCTWJEXXZGJO-HUUCEWRRSA-N 1 2 366.914 2.911 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C3)c1 ZINC001098778663 986596127 /nfs/dbraw/zinc/59/61/27/986596127.db2.gz QQFATURNSVETBR-BPZDBDPXSA-N 1 2 353.253 2.790 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2C[N@H+](C/C(Cl)=C\Cl)C3)c1 ZINC001098778663 986596130 /nfs/dbraw/zinc/59/61/30/986596130.db2.gz QQFATURNSVETBR-BPZDBDPXSA-N 1 2 353.253 2.790 20 30 FFEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccccc3C)n(CC=C)c2=S)CC1 ZINC000151746655 986839057 /nfs/dbraw/zinc/83/90/57/986839057.db2.gz DLNBGHHRYIDBFU-UHFFFAOYSA-N 1 2 367.522 2.784 20 30 FFEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)C1(C2CCCCC2)CC1 ZINC001078083537 986986792 /nfs/dbraw/zinc/98/67/92/986986792.db2.gz WLTGLDXDRINBEX-NHCUHLMSSA-N 1 2 366.505 2.560 20 30 FFEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)C1(C2CCCCC2)CC1 ZINC001078083537 986986799 /nfs/dbraw/zinc/98/67/99/986986799.db2.gz WLTGLDXDRINBEX-NHCUHLMSSA-N 1 2 366.505 2.560 20 30 FFEDLO COCC[N@H+](CCNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)Cc1ccccc1C#N ZINC001486428609 987288861 /nfs/dbraw/zinc/28/88/61/987288861.db2.gz MLQURVXGHBRVSI-LVCYWYKZSA-N 1 2 367.493 2.725 20 30 FFEDLO COCC[N@@H+](CCNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)Cc1ccccc1C#N ZINC001486428609 987288867 /nfs/dbraw/zinc/28/88/67/987288867.db2.gz MLQURVXGHBRVSI-LVCYWYKZSA-N 1 2 367.493 2.725 20 30 FFEDLO CCCC[C@@](C)(F)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212489513 987706900 /nfs/dbraw/zinc/70/69/00/987706900.db2.gz PCVACMPTLNITFK-JFIYKMOQSA-N 1 2 367.490 2.854 20 30 FFEDLO CCCC[C@@](C)(F)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212489513 987706907 /nfs/dbraw/zinc/70/69/07/987706907.db2.gz PCVACMPTLNITFK-JFIYKMOQSA-N 1 2 367.490 2.854 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673287572 987974157 /nfs/dbraw/zinc/97/41/57/987974157.db2.gz BDQIREADILEBJQ-HXUWFJFHSA-N 1 2 369.509 2.884 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673287572 987974163 /nfs/dbraw/zinc/97/41/63/987974163.db2.gz BDQIREADILEBJQ-HXUWFJFHSA-N 1 2 369.509 2.884 20 30 FFEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@]12CCC[C@H]1OCC2 ZINC001007913998 1015419854 /nfs/dbraw/zinc/41/98/54/1015419854.db2.gz QWXRZEYRVDJWKP-SJBKTWHCSA-N 1 2 370.468 2.717 20 30 FFEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@]12CCC[C@H]1OCC2 ZINC001007913998 1015419860 /nfs/dbraw/zinc/41/98/60/1015419860.db2.gz QWXRZEYRVDJWKP-SJBKTWHCSA-N 1 2 370.468 2.717 20 30 FFEDLO O=C(Nc1nncn1Cc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000073798034 989056549 /nfs/dbraw/zinc/05/65/49/989056549.db2.gz YBQFIAKTADVTHB-SFHVURJKSA-N 1 2 362.437 2.974 20 30 FFEDLO O=C(Nc1nncn1Cc1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000073798034 989056553 /nfs/dbraw/zinc/05/65/53/989056553.db2.gz YBQFIAKTADVTHB-SFHVURJKSA-N 1 2 362.437 2.974 20 30 FFEDLO C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000673841953 989325292 /nfs/dbraw/zinc/32/52/92/989325292.db2.gz NOJMMJSAYDHIEP-MRXNPFEDSA-N 1 2 365.437 2.700 20 30 FFEDLO C[C@H]1CN(c2ccccc2C=[NH+]Nc2ccc(S(C)(=O)=O)cc2)CCO1 ZINC000915960542 989714478 /nfs/dbraw/zinc/71/44/78/989714478.db2.gz HTHOZKBSRXTQAT-HNNXBMFYSA-N 1 2 373.478 2.761 20 30 FFEDLO C[C@H](CCCCNc1ccc(C#N)nc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001090169682 989839094 /nfs/dbraw/zinc/83/90/94/989839094.db2.gz SZALLFQKYOPRTR-KBRIMQKVSA-N 1 2 352.442 2.567 20 30 FFEDLO C[C@H](CCCCNc1ccc(C#N)nc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001090169682 989839100 /nfs/dbraw/zinc/83/91/00/989839100.db2.gz SZALLFQKYOPRTR-KBRIMQKVSA-N 1 2 352.442 2.567 20 30 FFEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154679738 990366853 /nfs/dbraw/zinc/36/68/53/990366853.db2.gz JZTNNWRZJFJLCB-UHFFFAOYSA-N 1 2 365.393 2.798 20 30 FFEDLO C[N@H+](Cc1cccc(C#N)c1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154679738 990366858 /nfs/dbraw/zinc/36/68/58/990366858.db2.gz JZTNNWRZJFJLCB-UHFFFAOYSA-N 1 2 365.393 2.798 20 30 FFEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001035400759 990460753 /nfs/dbraw/zinc/46/07/53/990460753.db2.gz RTWVTGHVSABTJP-ZCNNSNEGSA-N 1 2 358.482 2.547 20 30 FFEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001035400759 990460758 /nfs/dbraw/zinc/46/07/58/990460758.db2.gz RTWVTGHVSABTJP-ZCNNSNEGSA-N 1 2 358.482 2.547 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001062044434 990669785 /nfs/dbraw/zinc/66/97/85/990669785.db2.gz FHDJWRJIILMINE-RDGPPVDQSA-N 1 2 370.497 2.563 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001005860493 990787291 /nfs/dbraw/zinc/78/72/91/990787291.db2.gz HLRYJTPEFBMJNG-AITUJVMLSA-N 1 2 370.497 2.829 20 30 FFEDLO C#CCN(C(=O)C[C@@H]1C[C@H]1C1CC1)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001483985637 991302718 /nfs/dbraw/zinc/30/27/18/991302718.db2.gz FHTBWXGIVASTPX-HKUYNNGSSA-N 1 2 355.482 2.845 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2sc(NC(=O)c3ccco3)cc2C)CC1 ZINC000068444998 991433647 /nfs/dbraw/zinc/43/36/47/991433647.db2.gz PJJMKKWKKQOHTR-UHFFFAOYSA-N 1 2 371.462 2.683 20 30 FFEDLO Cc1nsc(N[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)c1C#N ZINC001063411972 991476062 /nfs/dbraw/zinc/47/60/62/991476062.db2.gz RPNJMEQDSXSKQG-AAVRWANBSA-N 1 2 370.482 2.689 20 30 FFEDLO Cc1nsc(N[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)c1C#N ZINC001063411972 991476067 /nfs/dbraw/zinc/47/60/67/991476067.db2.gz RPNJMEQDSXSKQG-AAVRWANBSA-N 1 2 370.482 2.689 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(CNc2cc[nH+]c(C)n2)cc1 ZINC001063426537 991482535 /nfs/dbraw/zinc/48/25/35/991482535.db2.gz WBOWGTQPCBXBOO-MOPGFXCFSA-N 1 2 366.465 2.995 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)C[C@H]1OC ZINC001212325215 991683479 /nfs/dbraw/zinc/68/34/79/991683479.db2.gz RSUAUYDWAFVDLL-SJLPKXTDSA-N 1 2 364.461 2.752 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(F)c2)C[C@H]1OC ZINC001212325215 991683483 /nfs/dbraw/zinc/68/34/83/991683483.db2.gz RSUAUYDWAFVDLL-SJLPKXTDSA-N 1 2 364.461 2.752 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C(C)(C)C(C)C ZINC001212335067 991715773 /nfs/dbraw/zinc/71/57/73/991715773.db2.gz OBDKVQDERPHGAW-QZTJIDSGSA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C(C)(C)C(C)C ZINC001212335067 991715783 /nfs/dbraw/zinc/71/57/83/991715783.db2.gz OBDKVQDERPHGAW-QZTJIDSGSA-N 1 2 361.461 2.695 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001065015576 991741709 /nfs/dbraw/zinc/74/17/09/991741709.db2.gz WUMVJUMFKJCOQC-BBWFWOEESA-N 1 2 358.486 2.902 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(C)sc2C)C1 ZINC001079137912 991826243 /nfs/dbraw/zinc/82/62/43/991826243.db2.gz BQUWCFHNOUSKFV-WOJBJXKFSA-N 1 2 368.502 2.686 20 30 FFEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(C)sc2C)C1 ZINC001079137912 991826248 /nfs/dbraw/zinc/82/62/48/991826248.db2.gz BQUWCFHNOUSKFV-WOJBJXKFSA-N 1 2 368.502 2.686 20 30 FFEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCCOCC(F)(F)F)c2)n1 ZINC000181609451 991833572 /nfs/dbraw/zinc/83/35/72/991833572.db2.gz ILFSPQAEEDIUOU-UHFFFAOYSA-N 1 2 370.375 2.764 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCC[C@@H](CN(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000967446791 1015669107 /nfs/dbraw/zinc/66/91/07/1015669107.db2.gz VCRMUMAXOLWTOS-GVDBMIGSSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCC[C@@H](CN(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000967446791 1015669117 /nfs/dbraw/zinc/66/91/17/1015669117.db2.gz VCRMUMAXOLWTOS-GVDBMIGSSA-N 1 2 370.497 2.567 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C)n1cccn1 ZINC001079446447 992122916 /nfs/dbraw/zinc/12/29/16/992122916.db2.gz ZTGHJMJXGCDJKF-GPMSIDNRSA-N 1 2 370.884 2.586 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C)n1cccn1 ZINC001079446447 992122923 /nfs/dbraw/zinc/12/29/23/992122923.db2.gz ZTGHJMJXGCDJKF-GPMSIDNRSA-N 1 2 370.884 2.586 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079542514 992193011 /nfs/dbraw/zinc/19/30/11/992193011.db2.gz WTIUAFCBKICQNR-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Cl)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079542514 992193017 /nfs/dbraw/zinc/19/30/17/992193017.db2.gz WTIUAFCBKICQNR-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1ccc(F)cn1 ZINC001079609369 992240043 /nfs/dbraw/zinc/24/00/43/992240043.db2.gz BDDWHZPPNLJCPM-AUUYWEPGSA-N 1 2 371.843 2.976 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1ccc(F)cn1 ZINC001079609369 992240048 /nfs/dbraw/zinc/24/00/48/992240048.db2.gz BDDWHZPPNLJCPM-AUUYWEPGSA-N 1 2 371.843 2.976 20 30 FFEDLO CCCCc1nc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cs1 ZINC001079592401 992244518 /nfs/dbraw/zinc/24/45/18/992244518.db2.gz DYIWBUJHCAMFFV-CXAGYDPISA-N 1 2 371.510 2.936 20 30 FFEDLO CCCCc1nc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cs1 ZINC001079592401 992244525 /nfs/dbraw/zinc/24/45/25/992244525.db2.gz DYIWBUJHCAMFFV-CXAGYDPISA-N 1 2 371.510 2.936 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2csc([C@H]3CCCO3)n2)C1 ZINC001079698254 992335794 /nfs/dbraw/zinc/33/57/94/992335794.db2.gz RPWQACNYQROMMQ-MPKXVKKWSA-N 1 2 355.891 2.797 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2csc([C@H]3CCCO3)n2)C1 ZINC001079698254 992335802 /nfs/dbraw/zinc/33/58/02/992335802.db2.gz RPWQACNYQROMMQ-MPKXVKKWSA-N 1 2 355.891 2.797 20 30 FFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000184353669 992725614 /nfs/dbraw/zinc/72/56/14/992725614.db2.gz DDFMEVZWESJDJS-OAHLLOKOSA-N 1 2 368.458 2.734 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC(OCC)C2)C1 ZINC001080312522 992948424 /nfs/dbraw/zinc/94/84/24/992948424.db2.gz WPFNOROYEMDJIB-GALLPEHLSA-N 1 2 359.308 2.537 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC(OCC)C2)C1 ZINC001080312522 992948430 /nfs/dbraw/zinc/94/84/30/992948430.db2.gz WPFNOROYEMDJIB-GALLPEHLSA-N 1 2 359.308 2.537 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3nnc(-c4occc4C)o3)C[C@H]2C)C1 ZINC001080404485 993033029 /nfs/dbraw/zinc/03/30/29/993033029.db2.gz KDVBWXHOMYBXAG-HUUCEWRRSA-N 1 2 370.453 2.931 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3nnc(-c4occc4C)o3)C[C@H]2C)C1 ZINC001080404485 993033033 /nfs/dbraw/zinc/03/30/33/993033033.db2.gz KDVBWXHOMYBXAG-HUUCEWRRSA-N 1 2 370.453 2.931 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]2C)O1 ZINC001080477500 993087491 /nfs/dbraw/zinc/08/74/91/993087491.db2.gz XCENXXFUCARBRO-OHDICMOHSA-N 1 2 360.885 2.696 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]2C)O1 ZINC001080477500 993087498 /nfs/dbraw/zinc/08/74/98/993087498.db2.gz XCENXXFUCARBRO-OHDICMOHSA-N 1 2 360.885 2.696 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccc(CC)cn2)C1 ZINC001080476577 993087591 /nfs/dbraw/zinc/08/75/91/993087591.db2.gz PHOZWDLTGPFSQO-MLGOLLRUSA-N 1 2 366.303 2.532 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccc(CC)cn2)C1 ZINC001080476577 993087596 /nfs/dbraw/zinc/08/75/96/993087596.db2.gz PHOZWDLTGPFSQO-MLGOLLRUSA-N 1 2 366.303 2.532 20 30 FFEDLO CCn1ccc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]2C)n1 ZINC001080555966 993162033 /nfs/dbraw/zinc/16/20/33/993162033.db2.gz WASVLLZVUMEKHD-DNVCBOLYSA-N 1 2 370.884 2.658 20 30 FFEDLO CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]2C)n1 ZINC001080555966 993162037 /nfs/dbraw/zinc/16/20/37/993162037.db2.gz WASVLLZVUMEKHD-DNVCBOLYSA-N 1 2 370.884 2.658 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1cnoc1C1CC1 ZINC001080707704 993299195 /nfs/dbraw/zinc/29/91/95/993299195.db2.gz VYLOZXPDILPPGW-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1cnoc1C1CC1 ZINC001080707704 993299199 /nfs/dbraw/zinc/29/91/99/993299199.db2.gz VYLOZXPDILPPGW-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001081662155 993916556 /nfs/dbraw/zinc/91/65/56/993916556.db2.gz OXSLDDAYJWMROI-NSISKUIASA-N 1 2 367.493 2.844 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001081662155 993916565 /nfs/dbraw/zinc/91/65/65/993916565.db2.gz OXSLDDAYJWMROI-NSISKUIASA-N 1 2 367.493 2.844 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001081722819 993936006 /nfs/dbraw/zinc/93/60/06/993936006.db2.gz QVFJVACJQJQDIO-YPAWHYETSA-N 1 2 366.505 2.990 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001081722819 993936015 /nfs/dbraw/zinc/93/60/15/993936015.db2.gz QVFJVACJQJQDIO-YPAWHYETSA-N 1 2 366.505 2.990 20 30 FFEDLO COC(=O)[C@@](C)(Cc1ccc(F)cc1)[NH2+]CCCC1(C#N)CCOCC1 ZINC000880388485 1015824133 /nfs/dbraw/zinc/82/41/33/1015824133.db2.gz JVSGWQHWTZZMGS-LJQANCHMSA-N 1 2 362.445 2.990 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@]1(C)CC=CCC1 ZINC001081731311 993942404 /nfs/dbraw/zinc/94/24/04/993942404.db2.gz WLOPBTKJZYFTGY-SJBKTWHCSA-N 1 2 352.478 2.600 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@]1(C)CC=CCC1 ZINC001081731311 993942416 /nfs/dbraw/zinc/94/24/16/993942416.db2.gz WLOPBTKJZYFTGY-SJBKTWHCSA-N 1 2 352.478 2.600 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1(C2CC2)CCC1 ZINC001081989719 994087846 /nfs/dbraw/zinc/08/78/46/994087846.db2.gz XUWIOMYQQRVFDI-IAGOWNOFSA-N 1 2 359.495 2.515 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1(C2CC2)CCC1 ZINC001081989719 994087859 /nfs/dbraw/zinc/08/78/59/994087859.db2.gz XUWIOMYQQRVFDI-IAGOWNOFSA-N 1 2 359.495 2.515 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H](C)c1ccccc1 ZINC001082334684 994380742 /nfs/dbraw/zinc/38/07/42/994380742.db2.gz ZGMMNMCPIZSOEJ-MAODMQOUSA-N 1 2 363.461 2.677 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H](C)c1ccccc1 ZINC001082334684 994380745 /nfs/dbraw/zinc/38/07/45/994380745.db2.gz ZGMMNMCPIZSOEJ-MAODMQOUSA-N 1 2 363.461 2.677 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1ccc(C)cc1 ZINC001082341404 994421550 /nfs/dbraw/zinc/42/15/50/994421550.db2.gz LDMCXXCRZXTRJM-WOJBJXKFSA-N 1 2 367.424 2.635 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1ccc(C)cc1 ZINC001082341404 994421558 /nfs/dbraw/zinc/42/15/58/994421558.db2.gz LDMCXXCRZXTRJM-WOJBJXKFSA-N 1 2 367.424 2.635 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1c(C)cccc1F ZINC001082397918 994536093 /nfs/dbraw/zinc/53/60/93/994536093.db2.gz ZFYHDVJAVZSESJ-WOJBJXKFSA-N 1 2 366.436 2.615 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1c(C)cccc1F ZINC001082397918 994536102 /nfs/dbraw/zinc/53/61/02/994536102.db2.gz ZFYHDVJAVZSESJ-WOJBJXKFSA-N 1 2 366.436 2.615 20 30 FFEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C)c1ccc(Cl)cc1 ZINC000810471629 994796805 /nfs/dbraw/zinc/79/68/05/994796805.db2.gz VOXRJNWFTLNSLV-OAHLLOKOSA-N 1 2 370.840 2.539 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001082560660 994937669 /nfs/dbraw/zinc/93/76/69/994937669.db2.gz LTZIGOLNUODUIG-GDBMZVCRSA-N 1 2 369.469 2.575 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000826704479 1015975828 /nfs/dbraw/zinc/97/58/28/1015975828.db2.gz UFAMQMCQGKEKHH-OXQOHEQNSA-N 1 2 357.454 2.551 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000826704479 1015975833 /nfs/dbraw/zinc/97/58/33/1015975833.db2.gz UFAMQMCQGKEKHH-OXQOHEQNSA-N 1 2 357.454 2.551 20 30 FFEDLO O=C(CC1=CCCCC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083025044 996018660 /nfs/dbraw/zinc/01/86/60/996018660.db2.gz OFBCZHMXYINZEA-FCHUYYIVSA-N 1 2 364.489 2.840 20 30 FFEDLO O=C(CC1=CCCCC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083025044 996018663 /nfs/dbraw/zinc/01/86/63/996018663.db2.gz OFBCZHMXYINZEA-FCHUYYIVSA-N 1 2 364.489 2.840 20 30 FFEDLO CC1(C)CC[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CC#Cc4ccccc4)C[C@@H]32)C1 ZINC001083183962 996173617 /nfs/dbraw/zinc/17/36/17/996173617.db2.gz HHIPWCNACVFQEO-QHAWAJNXSA-N 1 2 366.505 2.776 20 30 FFEDLO CC1(C)CC[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC#Cc4ccccc4)C[C@@H]32)C1 ZINC001083183962 996173619 /nfs/dbraw/zinc/17/36/19/996173619.db2.gz HHIPWCNACVFQEO-QHAWAJNXSA-N 1 2 366.505 2.776 20 30 FFEDLO CCN(CCC#N)C(=O)COC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001116115761 1032135313 /nfs/dbraw/zinc/13/53/13/1032135313.db2.gz SEUCYEQOCBKBQU-LJQANCHMSA-N 1 2 371.481 2.655 20 30 FFEDLO CCN(CCC#N)C(=O)COC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001116115761 1032135321 /nfs/dbraw/zinc/13/53/21/1032135321.db2.gz SEUCYEQOCBKBQU-LJQANCHMSA-N 1 2 371.481 2.655 20 30 FFEDLO Cc1noc(C)c1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084180560 996310371 /nfs/dbraw/zinc/31/03/71/996310371.db2.gz FOPKQWBSQSXYSB-IEBWSBKVSA-N 1 2 367.424 2.629 20 30 FFEDLO Cc1noc(C)c1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084180560 996310376 /nfs/dbraw/zinc/31/03/76/996310376.db2.gz FOPKQWBSQSXYSB-IEBWSBKVSA-N 1 2 367.424 2.629 20 30 FFEDLO Cc1ccoc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084190050 996321861 /nfs/dbraw/zinc/32/18/61/996321861.db2.gz OTGYMAOEIHCQJB-IEBWSBKVSA-N 1 2 352.409 2.925 20 30 FFEDLO Cc1ccoc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084190050 996321869 /nfs/dbraw/zinc/32/18/69/996321869.db2.gz OTGYMAOEIHCQJB-IEBWSBKVSA-N 1 2 352.409 2.925 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H]3CN(C(=O)CC(C)(C)C)[C@@H]3C2)c1 ZINC001084191680 996324484 /nfs/dbraw/zinc/32/44/84/996324484.db2.gz XREYAHIYVFFTTL-IEBWSBKVSA-N 1 2 367.493 2.575 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)CC(C)(C)C)[C@@H]3C2)c1 ZINC001084191680 996324488 /nfs/dbraw/zinc/32/44/88/996324488.db2.gz XREYAHIYVFFTTL-IEBWSBKVSA-N 1 2 367.493 2.575 20 30 FFEDLO Cc1c(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cnn1CCC#N ZINC000888850382 1016024957 /nfs/dbraw/zinc/02/49/57/1016024957.db2.gz CXKAXBBOMKSVEZ-UHFFFAOYSA-N 1 2 366.469 2.811 20 30 FFEDLO Cc1nc(C)c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)o1 ZINC001084252022 996357053 /nfs/dbraw/zinc/35/70/53/996357053.db2.gz CIKKXLIKRYMTMQ-CRAIPNDOSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1nc(C)c(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)o1 ZINC001084252022 996357060 /nfs/dbraw/zinc/35/70/60/996357060.db2.gz CIKKXLIKRYMTMQ-CRAIPNDOSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1nc(C)c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)o1 ZINC001084252359 996358586 /nfs/dbraw/zinc/35/85/86/996358586.db2.gz VZTPRGVNULAYNE-QZTJIDSGSA-N 1 2 350.422 2.510 20 30 FFEDLO Cc1nc(C)c(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)o1 ZINC001084252359 996358589 /nfs/dbraw/zinc/35/85/89/996358589.db2.gz VZTPRGVNULAYNE-QZTJIDSGSA-N 1 2 350.422 2.510 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C4CC(F)(F)C4)[C@@H]3C2)c1 ZINC001084269717 996415266 /nfs/dbraw/zinc/41/52/66/996415266.db2.gz FCUZQTWMVIEIGL-CXAGYDPISA-N 1 2 363.383 2.775 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)C4CC(F)(F)C4)[C@@H]3C2)c1 ZINC001084269717 996415270 /nfs/dbraw/zinc/41/52/70/996415270.db2.gz FCUZQTWMVIEIGL-CXAGYDPISA-N 1 2 363.383 2.775 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)ns1 ZINC001084309130 996440694 /nfs/dbraw/zinc/44/06/94/996440694.db2.gz WLTXEIUNTVXEDR-SJLPKXTDSA-N 1 2 352.463 2.670 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)ns1 ZINC001084309130 996440699 /nfs/dbraw/zinc/44/06/99/996440699.db2.gz WLTXEIUNTVXEDR-SJLPKXTDSA-N 1 2 352.463 2.670 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C4(C(F)F)CC4)[C@@H]3C2)c(F)c1 ZINC001084342023 996458478 /nfs/dbraw/zinc/45/84/78/996458478.db2.gz FLARNJKXFPHLEU-GDBMZVCRSA-N 1 2 363.383 2.775 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C4(C(F)F)CC4)[C@@H]3C2)c(F)c1 ZINC001084342023 996458482 /nfs/dbraw/zinc/45/84/82/996458482.db2.gz FLARNJKXFPHLEU-GDBMZVCRSA-N 1 2 363.383 2.775 20 30 FFEDLO O=C(c1c(F)cncc1F)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084378368 996503371 /nfs/dbraw/zinc/50/33/71/996503371.db2.gz UUEWFVKJJDHFEO-VQIMIIECSA-N 1 2 367.399 2.558 20 30 FFEDLO O=C(c1c(F)cncc1F)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084378368 996503375 /nfs/dbraw/zinc/50/33/75/996503375.db2.gz UUEWFVKJJDHFEO-VQIMIIECSA-N 1 2 367.399 2.558 20 30 FFEDLO Cc1noc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)c1C ZINC001084436488 996589128 /nfs/dbraw/zinc/58/91/28/996589128.db2.gz FITAYCGCMVJSSR-IEBWSBKVSA-N 1 2 367.424 2.629 20 30 FFEDLO Cc1noc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)c1C ZINC001084436488 996589133 /nfs/dbraw/zinc/58/91/33/996589133.db2.gz FITAYCGCMVJSSR-IEBWSBKVSA-N 1 2 367.424 2.629 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(OC)c(OC)c3C)[C@@H]2C1 ZINC001084437507 996589745 /nfs/dbraw/zinc/58/97/45/996589745.db2.gz WUGZGYJEDIXBBA-GDBMZVCRSA-N 1 2 364.873 2.911 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(OC)c(OC)c3C)[C@@H]2C1 ZINC001084437507 996589749 /nfs/dbraw/zinc/58/97/49/996589749.db2.gz WUGZGYJEDIXBBA-GDBMZVCRSA-N 1 2 364.873 2.911 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)cs1 ZINC001084605262 996715635 /nfs/dbraw/zinc/71/56/35/996715635.db2.gz HSHFOEPMMFDASK-CRAIPNDOSA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)cs1 ZINC001084605262 996715637 /nfs/dbraw/zinc/71/56/37/996715637.db2.gz HSHFOEPMMFDASK-CRAIPNDOSA-N 1 2 370.453 2.809 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4ccccc4)n3)[C@@H]2C1 ZINC001084690308 996921628 /nfs/dbraw/zinc/92/16/28/996921628.db2.gz SNOBYVIPEXTEOI-NVXWUHKLSA-N 1 2 356.857 2.976 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4ccccc4)n3)[C@@H]2C1 ZINC001084690308 996921642 /nfs/dbraw/zinc/92/16/42/996921642.db2.gz SNOBYVIPEXTEOI-NVXWUHKLSA-N 1 2 356.857 2.976 20 30 FFEDLO C=CCOCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679498691 1016081199 /nfs/dbraw/zinc/08/11/99/1016081199.db2.gz RXIADQNMBFOHOB-CVEARBPZSA-N 1 2 355.841 2.726 20 30 FFEDLO C=CCOCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679498691 1016081210 /nfs/dbraw/zinc/08/12/10/1016081210.db2.gz RXIADQNMBFOHOB-CVEARBPZSA-N 1 2 355.841 2.726 20 30 FFEDLO CCc1nc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)c(C)o1 ZINC001084716769 997038903 /nfs/dbraw/zinc/03/89/03/997038903.db2.gz UWPVSGOANGTPPE-QZTJIDSGSA-N 1 2 364.449 2.764 20 30 FFEDLO CCc1nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)c(C)o1 ZINC001084716769 997038918 /nfs/dbraw/zinc/03/89/18/997038918.db2.gz UWPVSGOANGTPPE-QZTJIDSGSA-N 1 2 364.449 2.764 20 30 FFEDLO N#Cc1cccc2c1CC[C@H]2Nc1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001171067994 997091711 /nfs/dbraw/zinc/09/17/11/997091711.db2.gz GWLPEOAZMRBJHS-HXUWFJFHSA-N 1 2 364.449 2.764 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)ccn1 ZINC001084731332 997110809 /nfs/dbraw/zinc/11/08/09/997110809.db2.gz STFMVJYQPRIYEX-TZIWHRDSSA-N 1 2 363.436 2.727 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)ccn1 ZINC001084731332 997110814 /nfs/dbraw/zinc/11/08/14/997110814.db2.gz STFMVJYQPRIYEX-TZIWHRDSSA-N 1 2 363.436 2.727 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cc(F)ccc3OC)[C@@H]2C1 ZINC001084734448 997132232 /nfs/dbraw/zinc/13/22/32/997132232.db2.gz PEWDRNSXHWITEE-CZUORRHYSA-N 1 2 352.837 2.662 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cc(F)ccc3OC)[C@@H]2C1 ZINC001084734448 997132238 /nfs/dbraw/zinc/13/22/38/997132238.db2.gz PEWDRNSXHWITEE-CZUORRHYSA-N 1 2 352.837 2.662 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)n3cnc4ccccc43)[C@@H]2C1 ZINC001084754838 997209545 /nfs/dbraw/zinc/20/95/45/997209545.db2.gz JTCZPQIBZYAQPV-IIDMSEBBSA-N 1 2 358.873 2.883 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)n3cnc4ccccc43)[C@@H]2C1 ZINC001084754838 997209553 /nfs/dbraw/zinc/20/95/53/997209553.db2.gz JTCZPQIBZYAQPV-IIDMSEBBSA-N 1 2 358.873 2.883 20 30 FFEDLO CC(C)n1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)cn1 ZINC001084770810 997266727 /nfs/dbraw/zinc/26/67/27/997266727.db2.gz DCTSNGHMKLZOPQ-UYAOXDASSA-N 1 2 363.465 2.682 20 30 FFEDLO CC(C)n1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)cn1 ZINC001084770810 997266738 /nfs/dbraw/zinc/26/67/38/997266738.db2.gz DCTSNGHMKLZOPQ-UYAOXDASSA-N 1 2 363.465 2.682 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4ncon4)cc3)[C@@H]2C1 ZINC001084782162 997346960 /nfs/dbraw/zinc/34/69/60/997346960.db2.gz HBGQKQUNDMBLTQ-HZPDHXFCSA-N 1 2 358.829 2.635 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4ncon4)cc3)[C@@H]2C1 ZINC001084782162 997346970 /nfs/dbraw/zinc/34/69/70/997346970.db2.gz HBGQKQUNDMBLTQ-HZPDHXFCSA-N 1 2 358.829 2.635 20 30 FFEDLO CCc1cc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)no1 ZINC001084783566 997354359 /nfs/dbraw/zinc/35/43/59/997354359.db2.gz XUWHKBIHULLDHL-OXQOHEQNSA-N 1 2 367.424 2.574 20 30 FFEDLO CCc1cc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)no1 ZINC001084783566 997354371 /nfs/dbraw/zinc/35/43/71/997354371.db2.gz XUWHKBIHULLDHL-OXQOHEQNSA-N 1 2 367.424 2.574 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3c(C)noc3Cl)[C@@H]2C1 ZINC001084862587 997693304 /nfs/dbraw/zinc/69/33/04/997693304.db2.gz RZRSAXBQSNKJFT-TZMCWYRMSA-N 1 2 358.269 2.854 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c(C)noc3Cl)[C@@H]2C1 ZINC001084862587 997693312 /nfs/dbraw/zinc/69/33/12/997693312.db2.gz RZRSAXBQSNKJFT-TZMCWYRMSA-N 1 2 358.269 2.854 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000844291900 997776770 /nfs/dbraw/zinc/77/67/70/997776770.db2.gz YHEBNNDKXQQWRW-UHFFFAOYSA-N 1 2 360.414 2.909 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000844291900 997776779 /nfs/dbraw/zinc/77/67/79/997776779.db2.gz YHEBNNDKXQQWRW-UHFFFAOYSA-N 1 2 360.414 2.909 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1OC ZINC001090930987 997820050 /nfs/dbraw/zinc/82/00/50/997820050.db2.gz PRQZTDVALOUZEN-DJIMGWMZSA-N 1 2 360.502 2.831 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844438883 997909140 /nfs/dbraw/zinc/90/91/40/997909140.db2.gz UAEWSDBOZXSXBC-GOSISDBHSA-N 1 2 371.391 2.804 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844438883 997909154 /nfs/dbraw/zinc/90/91/54/997909154.db2.gz UAEWSDBOZXSXBC-GOSISDBHSA-N 1 2 371.391 2.804 20 30 FFEDLO CC(C)c1cnc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)o1 ZINC001084914911 998066746 /nfs/dbraw/zinc/06/67/46/998066746.db2.gz KYSGBDBOONLHKH-WBVHZDCISA-N 1 2 367.453 2.734 20 30 FFEDLO CC(C)c1cnc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)o1 ZINC001084914911 998066762 /nfs/dbraw/zinc/06/67/62/998066762.db2.gz KYSGBDBOONLHKH-WBVHZDCISA-N 1 2 367.453 2.734 20 30 FFEDLO C=CCNC(=O)[C@H](C)OC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000731916461 998337179 /nfs/dbraw/zinc/33/71/79/998337179.db2.gz OOLDHEYMIQIUAN-IRXDYDNUSA-N 1 2 358.482 2.564 20 30 FFEDLO COCC#CC[N@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000677478676 1016207646 /nfs/dbraw/zinc/20/76/46/1016207646.db2.gz CJHZLBVPLOSKOR-UHFFFAOYSA-N 1 2 352.434 2.824 20 30 FFEDLO COCC#CC[N@@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000677478676 1016207653 /nfs/dbraw/zinc/20/76/53/1016207653.db2.gz CJHZLBVPLOSKOR-UHFFFAOYSA-N 1 2 352.434 2.824 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)COC(=O)C[C@H](C)n2cc[nH+]c2)cc1C ZINC000845276424 998461163 /nfs/dbraw/zinc/46/11/63/998461163.db2.gz BQGBMSYNJBSHBV-KRWDZBQOSA-N 1 2 368.437 2.941 20 30 FFEDLO C[C@H](CC(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)n1cc[nH+]c1 ZINC000845279614 998462680 /nfs/dbraw/zinc/46/26/80/998462680.db2.gz DILKNQBNXJQLEK-CABCVRRESA-N 1 2 372.400 2.852 20 30 FFEDLO N#Cc1cccc(N2C[C@]3(CCN(Cc4[nH+]cn5ccccc45)C3)CC2=O)c1 ZINC001144618647 998685978 /nfs/dbraw/zinc/68/59/78/998685978.db2.gz AJKVGOYRBWXPBM-JOCHJYFZSA-N 1 2 371.444 2.835 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ncnn4CCC)[C@H]3C2)CC1 ZINC001085023511 998699623 /nfs/dbraw/zinc/69/96/23/998699623.db2.gz GMSGZBVHMGZDFK-MJGOQNOKSA-N 1 2 371.529 2.857 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4ncnn4CCC)[C@H]3C2)CC1 ZINC001085023511 998699625 /nfs/dbraw/zinc/69/96/25/998699625.db2.gz GMSGZBVHMGZDFK-MJGOQNOKSA-N 1 2 371.529 2.857 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(CC)o4)[C@H]3C2)CC1 ZINC001085023686 998700147 /nfs/dbraw/zinc/70/01/47/998700147.db2.gz PNLLGZWGBMFJJQ-WBVHZDCISA-N 1 2 358.486 2.801 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc(CC)o4)[C@H]3C2)CC1 ZINC001085023686 998700150 /nfs/dbraw/zinc/70/01/50/998700150.db2.gz PNLLGZWGBMFJJQ-WBVHZDCISA-N 1 2 358.486 2.801 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000733196196 998907625 /nfs/dbraw/zinc/90/76/25/998907625.db2.gz IIHJUSCOAUPMRG-IXDOHACOSA-N 1 2 365.518 2.905 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000733196196 998907627 /nfs/dbraw/zinc/90/76/27/998907627.db2.gz IIHJUSCOAUPMRG-IXDOHACOSA-N 1 2 365.518 2.905 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000733306921 998953186 /nfs/dbraw/zinc/95/31/86/998953186.db2.gz NGMBRENVUPFEEE-ZDUSSCGKSA-N 1 2 355.394 2.562 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CCN1Cc1c[nH+]c2ccc(C)cn12 ZINC001137308873 1016297671 /nfs/dbraw/zinc/29/76/71/1016297671.db2.gz KQQYHKNQFMEUDJ-GOSISDBHSA-N 1 2 351.454 2.678 20 30 FFEDLO C=CCOc1cccnc1C(=O)N1C[C@@H](CNc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC001054433355 1016320840 /nfs/dbraw/zinc/32/08/40/1016320840.db2.gz JDSQKJUIKUCGIS-GDBMZVCRSA-N 1 2 367.453 2.565 20 30 FFEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085718841 999613544 /nfs/dbraw/zinc/61/35/44/999613544.db2.gz BXCVFMPCNNPMTF-DSKINZAPSA-N 1 2 371.456 2.689 20 30 FFEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085718841 999613545 /nfs/dbraw/zinc/61/35/45/999613545.db2.gz BXCVFMPCNNPMTF-DSKINZAPSA-N 1 2 371.456 2.689 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000739904157 999657176 /nfs/dbraw/zinc/65/71/76/999657176.db2.gz OZJDQXDKVUYMLD-ZJOUEHCJSA-N 1 2 361.445 2.841 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCN1C(=O)CCC)C2 ZINC001096600437 1016339331 /nfs/dbraw/zinc/33/93/31/1016339331.db2.gz SXTUGWPKCNHARF-LTIDMASMSA-N 1 2 367.921 2.642 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCN1C(=O)CCC)C2 ZINC001096600437 1016339340 /nfs/dbraw/zinc/33/93/40/1016339340.db2.gz SXTUGWPKCNHARF-LTIDMASMSA-N 1 2 367.921 2.642 20 30 FFEDLO Cc1ccc(N2CC[C@@H](N3CC[NH+](Cc4ccc(C#N)cc4)CC3)C2=O)cc1 ZINC000741773910 999741524 /nfs/dbraw/zinc/74/15/24/999741524.db2.gz BXABUFLDVXVOQX-JOCHJYFZSA-N 1 2 374.488 2.790 20 30 FFEDLO Cc1cc(C(N)=[NH+]OCc2nnc(-c3cccc(C#N)c3)o2)ccc1F ZINC000742354482 999769187 /nfs/dbraw/zinc/76/91/87/999769187.db2.gz NYRCHYZRHKOSPB-UHFFFAOYSA-N 1 2 351.341 2.893 20 30 FFEDLO CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)c(C)n1 ZINC001097944571 1016350863 /nfs/dbraw/zinc/35/08/63/1016350863.db2.gz CBCDSWZZSSFLBV-NRSPTQNISA-N 1 2 362.477 2.598 20 30 FFEDLO CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)c(C)n1 ZINC001097944571 1016350871 /nfs/dbraw/zinc/35/08/71/1016350871.db2.gz CBCDSWZZSSFLBV-NRSPTQNISA-N 1 2 362.477 2.598 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)COc1cccc(C#N)c1)c1ccccc1 ZINC000742858779 999791656 /nfs/dbraw/zinc/79/16/56/999791656.db2.gz ODJYPUIKYSXJRR-LJQANCHMSA-N 1 2 360.417 2.771 20 30 FFEDLO N#Cc1ccc(NC[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)cn1 ZINC001066451622 999819470 /nfs/dbraw/zinc/81/94/70/999819470.db2.gz MLTQCJWRVVPKMO-DTTOXWODSA-N 1 2 364.453 2.567 20 30 FFEDLO N#Cc1ccc(NC[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)cn1 ZINC001066451622 999819472 /nfs/dbraw/zinc/81/94/72/999819472.db2.gz MLTQCJWRVVPKMO-DTTOXWODSA-N 1 2 364.453 2.567 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC000745079076 999893606 /nfs/dbraw/zinc/89/36/06/999893606.db2.gz JHHREMBLNYTVFO-SJLPKXTDSA-N 1 2 357.454 2.658 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC000745079076 999893608 /nfs/dbraw/zinc/89/36/08/999893608.db2.gz JHHREMBLNYTVFO-SJLPKXTDSA-N 1 2 357.454 2.658 20 30 FFEDLO Cc1cc(C#N)nc(N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)n1 ZINC001169514319 1000055061 /nfs/dbraw/zinc/05/50/61/1000055061.db2.gz QXUWNRPNFLJCMZ-WMZOPIPTSA-N 1 2 365.437 2.528 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109028527 1000152673 /nfs/dbraw/zinc/15/26/73/1000152673.db2.gz WFUYPKAAKKTDOV-KGFWFAMKSA-N 1 2 371.456 2.734 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109028527 1000152675 /nfs/dbraw/zinc/15/26/75/1000152675.db2.gz WFUYPKAAKKTDOV-KGFWFAMKSA-N 1 2 371.456 2.734 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ccc(F)cc1F ZINC001109065357 1000158349 /nfs/dbraw/zinc/15/83/49/1000158349.db2.gz LHPXAFVJJAVHKK-NMVRNDPTSA-N 1 2 350.409 2.950 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ccc(F)cc1F ZINC001109065357 1000158350 /nfs/dbraw/zinc/15/83/50/1000158350.db2.gz LHPXAFVJJAVHKK-NMVRNDPTSA-N 1 2 350.409 2.950 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)s1 ZINC001109204159 1000185628 /nfs/dbraw/zinc/18/56/28/1000185628.db2.gz FQZQWXNKPNSINV-YSLLHCQFSA-N 1 2 354.903 2.950 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)s1 ZINC001109204159 1000185630 /nfs/dbraw/zinc/18/56/30/1000185630.db2.gz FQZQWXNKPNSINV-YSLLHCQFSA-N 1 2 354.903 2.950 20 30 FFEDLO COCC1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)CC1 ZINC001109263076 1000220628 /nfs/dbraw/zinc/22/06/28/1000220628.db2.gz ZWTOZHWOZJQOAA-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO COCC1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)CC1 ZINC001109263076 1000220632 /nfs/dbraw/zinc/22/06/32/1000220632.db2.gz ZWTOZHWOZJQOAA-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C(C)C ZINC001109329434 1000278281 /nfs/dbraw/zinc/27/82/81/1000278281.db2.gz WMPMCBIXYUCUSH-NQYYFHDYSA-N 1 2 361.530 2.637 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C(C)C ZINC001109329434 1000278283 /nfs/dbraw/zinc/27/82/83/1000278283.db2.gz WMPMCBIXYUCUSH-NQYYFHDYSA-N 1 2 361.530 2.637 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)OCCc3ccccc31)C2 ZINC001096648910 1016403672 /nfs/dbraw/zinc/40/36/72/1016403672.db2.gz UJCLCQHJJVNBTI-HGKSCXNLSA-N 1 2 360.885 2.949 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)OCCc3ccccc31)C2 ZINC001096648910 1016403679 /nfs/dbraw/zinc/40/36/79/1016403679.db2.gz UJCLCQHJJVNBTI-HGKSCXNLSA-N 1 2 360.885 2.949 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001091277889 1000361725 /nfs/dbraw/zinc/36/17/25/1000361725.db2.gz GRXAQLXDWDHHJU-HUUCEWRRSA-N 1 2 360.506 2.688 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001091281640 1000365886 /nfs/dbraw/zinc/36/58/86/1000365886.db2.gz LSVVTVLIXPPZLX-GVDBMIGSSA-N 1 2 358.486 2.786 20 30 FFEDLO COCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)CC1 ZINC001109387640 1000366745 /nfs/dbraw/zinc/36/67/45/1000366745.db2.gz XRNJCHGOPZFFFB-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO COCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)CC1 ZINC001109387640 1000366749 /nfs/dbraw/zinc/36/67/49/1000366749.db2.gz XRNJCHGOPZFFFB-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109431464 1000445417 /nfs/dbraw/zinc/44/54/17/1000445417.db2.gz QAWZEZSEUACFCP-LTIDMASMSA-N 1 2 350.894 2.944 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COc3ccccc31)C2 ZINC001096657274 1016414713 /nfs/dbraw/zinc/41/47/13/1016414713.db2.gz CDVLRSXIVKCJPW-PBASOCQRSA-N 1 2 373.456 2.956 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COc3ccccc31)C2 ZINC001096657274 1016414718 /nfs/dbraw/zinc/41/47/18/1016414718.db2.gz CDVLRSXIVKCJPW-PBASOCQRSA-N 1 2 373.456 2.956 20 30 FFEDLO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c3ccccc3c1=O)C2 ZINC001109478428 1000536756 /nfs/dbraw/zinc/53/67/56/1000536756.db2.gz NGRQXFSQGXZIMT-CCKFTAQKSA-N 1 2 351.450 2.829 20 30 FFEDLO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c3ccccc3c1=O)C2 ZINC001109478428 1000536762 /nfs/dbraw/zinc/53/67/62/1000536762.db2.gz NGRQXFSQGXZIMT-CCKFTAQKSA-N 1 2 351.450 2.829 20 30 FFEDLO Cc1cc(CO[NH+]=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)no1 ZINC000769840963 1000619966 /nfs/dbraw/zinc/61/99/66/1000619966.db2.gz DXVGTOLGGVSCJL-UHFFFAOYSA-N 1 2 360.414 2.845 20 30 FFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000769960954 1000635417 /nfs/dbraw/zinc/63/54/17/1000635417.db2.gz HLQXRPIBTSFCPB-CYBMUJFWSA-N 1 2 352.413 2.997 20 30 FFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000769960954 1000635420 /nfs/dbraw/zinc/63/54/20/1000635420.db2.gz HLQXRPIBTSFCPB-CYBMUJFWSA-N 1 2 352.413 2.997 20 30 FFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1 ZINC000769978144 1000645773 /nfs/dbraw/zinc/64/57/73/1000645773.db2.gz UHVVCOWBHJWMMT-HNNXBMFYSA-N 1 2 365.433 2.840 20 30 FFEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1 ZINC000769978144 1000645775 /nfs/dbraw/zinc/64/57/75/1000645775.db2.gz UHVVCOWBHJWMMT-HNNXBMFYSA-N 1 2 365.433 2.840 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc3ccccc13)C2 ZINC001109572403 1000660925 /nfs/dbraw/zinc/66/09/25/1000660925.db2.gz MBJNEPYEOJFLKO-COXVUDFISA-N 1 2 369.490 2.539 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc3ccccc13)C2 ZINC001109572403 1000660928 /nfs/dbraw/zinc/66/09/28/1000660928.db2.gz MBJNEPYEOJFLKO-COXVUDFISA-N 1 2 369.490 2.539 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(OC)cc1 ZINC001109657186 1000796437 /nfs/dbraw/zinc/79/64/37/1000796437.db2.gz CIEQOCPZZCYIMS-NEWSRXKRSA-N 1 2 371.481 2.712 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(OC)cc1 ZINC001109657186 1000796443 /nfs/dbraw/zinc/79/64/43/1000796443.db2.gz CIEQOCPZZCYIMS-NEWSRXKRSA-N 1 2 371.481 2.712 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1ccc(C)o1 ZINC001109659098 1000798497 /nfs/dbraw/zinc/79/84/97/1000798497.db2.gz RWDKQOQVJYOFJZ-NEWSRXKRSA-N 1 2 373.497 2.624 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1ccc(C)o1 ZINC001109659098 1000798504 /nfs/dbraw/zinc/79/85/04/1000798504.db2.gz RWDKQOQVJYOFJZ-NEWSRXKRSA-N 1 2 373.497 2.624 20 30 FFEDLO N#Cc1c(F)cccc1N[C@@H]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001091647240 1000949281 /nfs/dbraw/zinc/94/92/81/1000949281.db2.gz NXQFHLQNJXQSGW-UONOGXRCSA-N 1 2 355.417 2.750 20 30 FFEDLO N#Cc1c(F)cccc1N[C@@H]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001091647240 1000949285 /nfs/dbraw/zinc/94/92/85/1000949285.db2.gz NXQFHLQNJXQSGW-UONOGXRCSA-N 1 2 355.417 2.750 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NCc1ccco1 ZINC001109767866 1000973994 /nfs/dbraw/zinc/97/39/94/1000973994.db2.gz OGXGPHUDZFMXST-LMSBXDPUSA-N 1 2 373.497 2.608 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NCc1ccco1 ZINC001109767866 1000974000 /nfs/dbraw/zinc/97/40/00/1000974000.db2.gz OGXGPHUDZFMXST-LMSBXDPUSA-N 1 2 373.497 2.608 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1ccco1 ZINC001109768025 1000974275 /nfs/dbraw/zinc/97/42/75/1000974275.db2.gz VVTZNXNOTJLORR-NJAFHUGGSA-N 1 2 373.497 2.562 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1ccco1 ZINC001109768025 1000974281 /nfs/dbraw/zinc/97/42/81/1000974281.db2.gz VVTZNXNOTJLORR-NJAFHUGGSA-N 1 2 373.497 2.562 20 30 FFEDLO CC(C)(C)NS(=O)(=O)c1ccccc1N=NCc1cccc2[nH+]ccn21 ZINC000771098930 1001008646 /nfs/dbraw/zinc/00/86/46/1001008646.db2.gz AUVHKNCWRYWQFN-UHFFFAOYSA-N 1 2 371.466 2.857 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C1CCCCC1)C2 ZINC001109817967 1001030649 /nfs/dbraw/zinc/03/06/49/1001030649.db2.gz TYCKESNADBOZTG-SQNIBIBYSA-N 1 2 361.530 2.617 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C1CCCCC1)C2 ZINC001109817967 1001030652 /nfs/dbraw/zinc/03/06/52/1001030652.db2.gz TYCKESNADBOZTG-SQNIBIBYSA-N 1 2 361.530 2.617 20 30 FFEDLO C[C@]12CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2 ZINC001091690089 1001086057 /nfs/dbraw/zinc/08/60/57/1001086057.db2.gz HFALRQKDSRMKCY-INMHGKMJSA-N 1 2 369.362 2.739 20 30 FFEDLO C[C@]12CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC001091690089 1001086064 /nfs/dbraw/zinc/08/60/64/1001086064.db2.gz HFALRQKDSRMKCY-INMHGKMJSA-N 1 2 369.362 2.739 20 30 FFEDLO C[C@]12CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2 ZINC001091690089 1001086071 /nfs/dbraw/zinc/08/60/71/1001086071.db2.gz HFALRQKDSRMKCY-INMHGKMJSA-N 1 2 369.362 2.739 20 30 FFEDLO C[C@]12CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC001091690089 1001086076 /nfs/dbraw/zinc/08/60/76/1001086076.db2.gz HFALRQKDSRMKCY-INMHGKMJSA-N 1 2 369.362 2.739 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccns2)CCOCC1 ZINC001110047252 1001377309 /nfs/dbraw/zinc/37/73/09/1001377309.db2.gz WDWSJDHEADVVNJ-PVAVHDDUSA-N 1 2 361.511 2.738 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccns2)CCOCC1 ZINC001110047252 1001377316 /nfs/dbraw/zinc/37/73/16/1001377316.db2.gz WDWSJDHEADVVNJ-PVAVHDDUSA-N 1 2 361.511 2.738 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccco1)C2 ZINC001096740848 1016511477 /nfs/dbraw/zinc/51/14/77/1016511477.db2.gz XSDXXGALCRYEEB-ZACQAIPSSA-N 1 2 351.406 2.695 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccco1)C2 ZINC001096740848 1016511482 /nfs/dbraw/zinc/51/14/82/1016511482.db2.gz XSDXXGALCRYEEB-ZACQAIPSSA-N 1 2 351.406 2.695 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1CC ZINC001091790383 1001821825 /nfs/dbraw/zinc/82/18/25/1001821825.db2.gz XDQQVAYZGZGQFY-YESZJQIVSA-N 1 2 360.502 2.973 20 30 FFEDLO COCC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110123656 1001826023 /nfs/dbraw/zinc/82/60/23/1001826023.db2.gz LOTLEIVQJSLGQH-OLQIXAPSSA-N 1 2 359.445 2.591 20 30 FFEDLO COCC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110123656 1001826038 /nfs/dbraw/zinc/82/60/38/1001826038.db2.gz LOTLEIVQJSLGQH-OLQIXAPSSA-N 1 2 359.445 2.591 20 30 FFEDLO COC(=O)c1c(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)snc1OC ZINC001182435069 1001867286 /nfs/dbraw/zinc/86/72/86/1001867286.db2.gz SLCJOMJNLZSDRX-AWEZNQCLSA-N 1 2 357.435 2.977 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC(C)C)C2 ZINC001110301974 1001884188 /nfs/dbraw/zinc/88/41/88/1001884188.db2.gz QSWWLYXUCASGTO-KURKYZTESA-N 1 2 373.522 2.930 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC(C)C)C2 ZINC001110301974 1001884202 /nfs/dbraw/zinc/88/42/02/1001884202.db2.gz QSWWLYXUCASGTO-KURKYZTESA-N 1 2 373.522 2.930 20 30 FFEDLO CCc1oncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001097958369 1016534503 /nfs/dbraw/zinc/53/45/03/1016534503.db2.gz LYBPQTGZDCNTOP-OLMNPRSZSA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1oncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001097958369 1016534512 /nfs/dbraw/zinc/53/45/12/1016534512.db2.gz LYBPQTGZDCNTOP-OLMNPRSZSA-N 1 2 368.412 2.783 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)C[C@H]2C1 ZINC001091851576 1001950971 /nfs/dbraw/zinc/95/09/71/1001950971.db2.gz PHKBAUOFZXXFQQ-MOPGFXCFSA-N 1 2 354.498 2.880 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccnc(Br)c1 ZINC001276212460 1016551170 /nfs/dbraw/zinc/55/11/70/1016551170.db2.gz BRPHQCILXGHHGH-QGZVFWFLSA-N 1 2 364.287 2.987 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccnc(Br)c1 ZINC001276212460 1016551173 /nfs/dbraw/zinc/55/11/73/1016551173.db2.gz BRPHQCILXGHHGH-QGZVFWFLSA-N 1 2 364.287 2.987 20 30 FFEDLO CC#CCCCCCCCC(=O)N[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001182771862 1002048291 /nfs/dbraw/zinc/04/82/91/1002048291.db2.gz JCRUAZAZFLBOQB-SFHVURJKSA-N 1 2 361.486 2.765 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC001086575865 1002112320 /nfs/dbraw/zinc/11/23/20/1002112320.db2.gz NDQUXKVGDVFDEJ-FUHWJXTLSA-N 1 2 358.873 2.922 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC001086575865 1002112335 /nfs/dbraw/zinc/11/23/35/1002112335.db2.gz NDQUXKVGDVFDEJ-FUHWJXTLSA-N 1 2 358.873 2.922 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001091977965 1002238122 /nfs/dbraw/zinc/23/81/22/1002238122.db2.gz COQIKLAQIAWMFT-XPGWFJOJSA-N 1 2 359.518 2.811 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001091977965 1002238133 /nfs/dbraw/zinc/23/81/33/1002238133.db2.gz COQIKLAQIAWMFT-XPGWFJOJSA-N 1 2 359.518 2.811 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001092031538 1002245457 /nfs/dbraw/zinc/24/54/57/1002245457.db2.gz NCLQDSXEZWIMSC-OXFYSEKESA-N 1 2 360.502 2.714 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001086581030 1002246221 /nfs/dbraw/zinc/24/62/21/1002246221.db2.gz FFVNEEKPNIUDOQ-DOTOQJQBSA-N 1 2 357.841 2.738 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001086581030 1002246232 /nfs/dbraw/zinc/24/62/32/1002246232.db2.gz FFVNEEKPNIUDOQ-DOTOQJQBSA-N 1 2 357.841 2.738 20 30 FFEDLO Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)n1 ZINC001096820221 1016596316 /nfs/dbraw/zinc/59/63/16/1016596316.db2.gz JRLCVZRTVPWNIC-XWIAVFTESA-N 1 2 352.463 2.859 20 30 FFEDLO Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)n1 ZINC001096820221 1016596332 /nfs/dbraw/zinc/59/63/32/1016596332.db2.gz JRLCVZRTVPWNIC-XWIAVFTESA-N 1 2 352.463 2.859 20 30 FFEDLO C=C(C)C[C@H]([NH2+]C1CC2(C[C@@H]2NC(=O)OC(C)(C)C)C1)C(=O)OCC ZINC001183551387 1002303525 /nfs/dbraw/zinc/30/35/25/1002303525.db2.gz QTJAZRGORWDCOQ-LPRCSBTHSA-N 1 2 352.475 2.920 20 30 FFEDLO C=C(C)C[C@H]([NH2+]C1CC2(C[C@H]2NC(=O)OC(C)(C)C)C1)C(=O)OCC ZINC001183551389 1002303875 /nfs/dbraw/zinc/30/38/75/1002303875.db2.gz QTJAZRGORWDCOQ-UARSRXHTSA-N 1 2 352.475 2.920 20 30 FFEDLO C=C1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)Nc2cc[nH+]c3c2CCC3)C1 ZINC001183617335 1002339555 /nfs/dbraw/zinc/33/95/55/1002339555.db2.gz QQFUFZCAPWFXEV-FQEVSTJZSA-N 1 2 357.454 2.886 20 30 FFEDLO COC1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CC1 ZINC001183828840 1002401663 /nfs/dbraw/zinc/40/16/63/1002401663.db2.gz DHGUWACDFRHOOV-IBGZPJMESA-N 1 2 355.482 2.940 20 30 FFEDLO COC1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)CC1 ZINC001183828840 1002401669 /nfs/dbraw/zinc/40/16/69/1002401669.db2.gz DHGUWACDFRHOOV-IBGZPJMESA-N 1 2 355.482 2.940 20 30 FFEDLO Cc1cc(CN(C)C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)n(C)n1 ZINC001183831843 1002403359 /nfs/dbraw/zinc/40/33/59/1002403359.db2.gz QLMJJDVTSBNOAC-FQEVSTJZSA-N 1 2 365.481 2.613 20 30 FFEDLO Cc1cc(CN(C)C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)n(C)n1 ZINC001183831843 1002403362 /nfs/dbraw/zinc/40/33/62/1002403362.db2.gz QLMJJDVTSBNOAC-FQEVSTJZSA-N 1 2 365.481 2.613 20 30 FFEDLO Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)on1 ZINC001183830162 1002403949 /nfs/dbraw/zinc/40/39/49/1002403949.db2.gz VIIMURHGPYGUMS-YWZLYKJASA-N 1 2 366.465 2.957 20 30 FFEDLO Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)on1 ZINC001183830162 1002403955 /nfs/dbraw/zinc/40/39/55/1002403955.db2.gz VIIMURHGPYGUMS-YWZLYKJASA-N 1 2 366.465 2.957 20 30 FFEDLO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC001183850054 1002411686 /nfs/dbraw/zinc/41/16/86/1002411686.db2.gz QZFDPIHJANJTGD-JKSUJKDBSA-N 1 2 371.497 2.786 20 30 FFEDLO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC001183850054 1002411689 /nfs/dbraw/zinc/41/16/89/1002411689.db2.gz QZFDPIHJANJTGD-JKSUJKDBSA-N 1 2 371.497 2.786 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CN(c4nc(C)[nH+]c(C)c4C)C[C@@]3(C)C2)CCC1 ZINC001092300136 1002628559 /nfs/dbraw/zinc/62/85/59/1002628559.db2.gz OMARLSSPNGDTIU-NQIIRXRSSA-N 1 2 366.509 2.880 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cccc(F)n2)C1 ZINC001092315778 1002668531 /nfs/dbraw/zinc/66/85/31/1002668531.db2.gz MUQZZFUAMVFCOF-BZUAXINKSA-N 1 2 371.460 2.963 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2O)C3)c(F)c1 ZINC001096823559 1016655190 /nfs/dbraw/zinc/65/51/90/1016655190.db2.gz MDDIZFJLYZHGKU-LZQZEXGQSA-N 1 2 365.408 2.938 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2O)C3)c(F)c1 ZINC001096823559 1016655197 /nfs/dbraw/zinc/65/51/97/1016655197.db2.gz MDDIZFJLYZHGKU-LZQZEXGQSA-N 1 2 365.408 2.938 20 30 FFEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1C[C@H]1c1ccccc1)c1nccn12 ZINC001092369640 1002785201 /nfs/dbraw/zinc/78/52/01/1002785201.db2.gz HCDJIEWFBCPCEP-GBESFXJTSA-N 1 2 362.477 2.835 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)no3)C[C@H]2c2ccccc2)C1 ZINC001086607911 1003014761 /nfs/dbraw/zinc/01/47/61/1003014761.db2.gz ARVZWSLQBQAOPG-ZWKOTPCHSA-N 1 2 366.465 2.819 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)no3)C[C@H]2c2ccccc2)C1 ZINC001086607911 1003014777 /nfs/dbraw/zinc/01/47/77/1003014777.db2.gz ARVZWSLQBQAOPG-ZWKOTPCHSA-N 1 2 366.465 2.819 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(F)ccc2F)c1 ZINC001096929424 1016750824 /nfs/dbraw/zinc/75/08/24/1016750824.db2.gz YCMWVEFTOIQKMI-KYJSFNMBSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(F)ccc2F)c1 ZINC001096929424 1016750838 /nfs/dbraw/zinc/75/08/38/1016750838.db2.gz YCMWVEFTOIQKMI-KYJSFNMBSA-N 1 2 356.376 2.700 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095562357 1016763125 /nfs/dbraw/zinc/76/31/25/1016763125.db2.gz SMURFSPTAHTDPR-NSYSGPAISA-N 1 2 353.466 2.595 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095562357 1016763138 /nfs/dbraw/zinc/76/31/38/1016763138.db2.gz SMURFSPTAHTDPR-NSYSGPAISA-N 1 2 353.466 2.595 20 30 FFEDLO COc1cc(C[N@H+](C)Cn2cc3c(c(C#N)c2=O)CCCC3)cc(OC)c1 ZINC000793485764 1003385014 /nfs/dbraw/zinc/38/50/14/1003385014.db2.gz COJZSXBTYZCUCX-UHFFFAOYSA-N 1 2 367.449 2.705 20 30 FFEDLO COc1cc(C[N@@H+](C)Cn2cc3c(c(C#N)c2=O)CCCC3)cc(OC)c1 ZINC000793485764 1003385022 /nfs/dbraw/zinc/38/50/22/1003385022.db2.gz COJZSXBTYZCUCX-UHFFFAOYSA-N 1 2 367.449 2.705 20 30 FFEDLO COc1ccccc1OCC[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793485914 1003385962 /nfs/dbraw/zinc/38/59/62/1003385962.db2.gz DLASRNKXDHFBNT-UHFFFAOYSA-N 1 2 367.449 2.576 20 30 FFEDLO COc1ccccc1OCC[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793485914 1003385971 /nfs/dbraw/zinc/38/59/71/1003385971.db2.gz DLASRNKXDHFBNT-UHFFFAOYSA-N 1 2 367.449 2.576 20 30 FFEDLO CC(C)(C)C[C@H]1CC(=O)N(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793607469 1003439324 /nfs/dbraw/zinc/43/93/24/1003439324.db2.gz QGDVJYBVXFOUPO-IAGOWNOFSA-N 1 2 356.470 2.649 20 30 FFEDLO CC(C)(C)C[C@H]1CC(=O)N(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793607469 1003439332 /nfs/dbraw/zinc/43/93/32/1003439332.db2.gz QGDVJYBVXFOUPO-IAGOWNOFSA-N 1 2 356.470 2.649 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1c(F)cccc1F ZINC001110385155 1003443407 /nfs/dbraw/zinc/44/34/07/1003443407.db2.gz NQCDBTMHPSNUKZ-KFZJALRRSA-N 1 2 350.409 2.950 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1c(F)cccc1F ZINC001110385155 1003443414 /nfs/dbraw/zinc/44/34/14/1003443414.db2.gz NQCDBTMHPSNUKZ-KFZJALRRSA-N 1 2 350.409 2.950 20 30 FFEDLO CC(C)OCCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001186941003 1003481795 /nfs/dbraw/zinc/48/17/95/1003481795.db2.gz YDQHPRPOLHSCSL-QFBILLFUSA-N 1 2 359.445 2.545 20 30 FFEDLO CC(C)OCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001186941003 1003481802 /nfs/dbraw/zinc/48/18/02/1003481802.db2.gz YDQHPRPOLHSCSL-QFBILLFUSA-N 1 2 359.445 2.545 20 30 FFEDLO O=C(CC#Cc1ccccc1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001110135477 1003526730 /nfs/dbraw/zinc/52/67/30/1003526730.db2.gz FILMFUJFVOFFTB-HKBOAZHASA-N 1 2 363.436 2.884 20 30 FFEDLO O=C(CC#Cc1ccccc1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001110135477 1003526738 /nfs/dbraw/zinc/52/67/38/1003526738.db2.gz FILMFUJFVOFFTB-HKBOAZHASA-N 1 2 363.436 2.884 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(O)ccc2Cl)[nH]1 ZINC001096971325 1016786985 /nfs/dbraw/zinc/78/69/85/1016786985.db2.gz LLZSSPFSYHMJJI-XWIAVFTESA-N 1 2 370.840 2.781 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(O)ccc2Cl)[nH]1 ZINC001096971325 1016786997 /nfs/dbraw/zinc/78/69/97/1016786997.db2.gz LLZSSPFSYHMJJI-XWIAVFTESA-N 1 2 370.840 2.781 20 30 FFEDLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)o2)C1 ZINC001196110068 1003660584 /nfs/dbraw/zinc/66/05/84/1003660584.db2.gz FDQKTCVPDVUYJC-CYBMUJFWSA-N 1 2 362.455 2.671 20 30 FFEDLO C#C[C@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCCO1 ZINC000775688025 1003681970 /nfs/dbraw/zinc/68/19/70/1003681970.db2.gz KRWDJZQBICNVNQ-HKUYNNGSSA-N 1 2 362.433 2.904 20 30 FFEDLO CC(C)c1ocnc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2 ZINC001096983203 1016830766 /nfs/dbraw/zinc/83/07/66/1016830766.db2.gz DPUUOHBTZGOXRK-INMHGKMJSA-N 1 2 353.426 2.533 20 30 FFEDLO CC(C)c1ocnc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2 ZINC001096983203 1016830777 /nfs/dbraw/zinc/83/07/77/1016830777.db2.gz DPUUOHBTZGOXRK-INMHGKMJSA-N 1 2 353.426 2.533 20 30 FFEDLO CC(C)CCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001196676793 1003914068 /nfs/dbraw/zinc/91/40/68/1003914068.db2.gz RZSACVCTICHETC-WOJBJXKFSA-N 1 2 357.498 2.826 20 30 FFEDLO CC(C)CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001196676793 1003914080 /nfs/dbraw/zinc/91/40/80/1003914080.db2.gz RZSACVCTICHETC-WOJBJXKFSA-N 1 2 357.498 2.826 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CCc2cccc(Cl)c2Cl)C[C@H]1O ZINC001191724860 1003926961 /nfs/dbraw/zinc/92/69/61/1003926961.db2.gz ULXHHBLWHWNMMG-HUUCEWRRSA-N 1 2 357.281 2.663 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CCc2cccc(Cl)c2Cl)C[C@H]1O ZINC001191724860 1003926969 /nfs/dbraw/zinc/92/69/69/1003926969.db2.gz ULXHHBLWHWNMMG-HUUCEWRRSA-N 1 2 357.281 2.663 20 30 FFEDLO N#Cc1ccccc1-c1ccc(CNC(=O)/C=C/C[NH+]2CCOCC2)cc1 ZINC000867206946 1003994714 /nfs/dbraw/zinc/99/47/14/1003994714.db2.gz WYYNVYDUUXELEF-ZZXKWVIFSA-N 1 2 361.445 2.730 20 30 FFEDLO CC(C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001197024351 1004050738 /nfs/dbraw/zinc/05/07/38/1004050738.db2.gz CANJMHFITSRBLR-RTBURBONSA-N 1 2 361.461 2.575 20 30 FFEDLO CC(C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001197024351 1004050748 /nfs/dbraw/zinc/05/07/48/1004050748.db2.gz CANJMHFITSRBLR-RTBURBONSA-N 1 2 361.461 2.575 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805800954 1004144791 /nfs/dbraw/zinc/14/47/91/1004144791.db2.gz OLAHTZAJJNTOQN-VBQJREDUSA-N 1 2 372.469 2.873 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805800954 1004144796 /nfs/dbraw/zinc/14/47/96/1004144796.db2.gz OLAHTZAJJNTOQN-VBQJREDUSA-N 1 2 372.469 2.873 20 30 FFEDLO N#Cc1cccc2c1CN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC001130387137 1004150036 /nfs/dbraw/zinc/15/00/36/1004150036.db2.gz CAMPOOZNJDTHBL-UHFFFAOYSA-N 1 2 359.345 2.808 20 30 FFEDLO CC(C)(C)[C@H]1CSCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC001197298369 1004153829 /nfs/dbraw/zinc/15/38/29/1004153829.db2.gz WZXBCRNECNDSLT-MRXNPFEDSA-N 1 2 352.525 2.795 20 30 FFEDLO CC(C)(C)[C@H]1CSCC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC001197298369 1004153835 /nfs/dbraw/zinc/15/38/35/1004153835.db2.gz WZXBCRNECNDSLT-MRXNPFEDSA-N 1 2 352.525 2.795 20 30 FFEDLO N#CC1(NC(=O)c2cc(F)c(O)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC001192877100 1004297397 /nfs/dbraw/zinc/29/73/97/1004297397.db2.gz PFBLGCWUJNJEQS-UHFFFAOYSA-N 1 2 371.387 2.959 20 30 FFEDLO CC(C)(C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001193200571 1004401141 /nfs/dbraw/zinc/40/11/41/1004401141.db2.gz CJTIZBQDESKPGZ-RTBURBONSA-N 1 2 357.498 2.826 20 30 FFEDLO CC(C)(C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001193200571 1004401147 /nfs/dbraw/zinc/40/11/47/1004401147.db2.gz CJTIZBQDESKPGZ-RTBURBONSA-N 1 2 357.498 2.826 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2Cc3ccccc3OC[C@@H]2C)c1 ZINC001193307861 1004447037 /nfs/dbraw/zinc/44/70/37/1004447037.db2.gz BUMBQUMNJJIULY-HNNXBMFYSA-N 1 2 363.417 2.599 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2Cc3ccccc3OC[C@@H]2C)c1 ZINC001193307861 1004447040 /nfs/dbraw/zinc/44/70/40/1004447040.db2.gz BUMBQUMNJJIULY-HNNXBMFYSA-N 1 2 363.417 2.599 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC2CCCCC2)C1 ZINC001198386256 1004598346 /nfs/dbraw/zinc/59/83/46/1004598346.db2.gz KCOOFEUNBAIYFN-NHCUHLMSSA-N 1 2 369.509 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC2CCCCC2)C1 ZINC001198386256 1004598352 /nfs/dbraw/zinc/59/83/52/1004598352.db2.gz KCOOFEUNBAIYFN-NHCUHLMSSA-N 1 2 369.509 2.970 20 30 FFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 ZINC001193920347 1004615988 /nfs/dbraw/zinc/61/59/88/1004615988.db2.gz MEQVTHWKOWMQQG-OLZOCXBDSA-N 1 2 362.495 2.942 20 30 FFEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 ZINC001193920347 1004615991 /nfs/dbraw/zinc/61/59/91/1004615991.db2.gz MEQVTHWKOWMQQG-OLZOCXBDSA-N 1 2 362.495 2.942 20 30 FFEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2cccc3c(Cl)cccc32)CC1 ZINC001194447343 1004738822 /nfs/dbraw/zinc/73/88/22/1004738822.db2.gz PNUSQVDVXKYFAC-UHFFFAOYSA-N 1 2 363.870 2.759 20 30 FFEDLO Cc1ccc(C[N@H+](C)CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)cc1 ZINC000101535414 1004858527 /nfs/dbraw/zinc/85/85/27/1004858527.db2.gz DRTBKCCUXHHZKQ-OAQYLSRUSA-N 1 2 362.433 2.723 20 30 FFEDLO Cc1ccc(C[N@@H+](C)CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)cc1 ZINC000101535414 1004858530 /nfs/dbraw/zinc/85/85/30/1004858530.db2.gz DRTBKCCUXHHZKQ-OAQYLSRUSA-N 1 2 362.433 2.723 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1O ZINC001195333205 1004949972 /nfs/dbraw/zinc/94/99/72/1004949972.db2.gz CTUDPSOLYJQVPM-HUUCEWRRSA-N 1 2 356.388 2.579 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1O ZINC001195333205 1004949976 /nfs/dbraw/zinc/94/99/76/1004949976.db2.gz CTUDPSOLYJQVPM-HUUCEWRRSA-N 1 2 356.388 2.579 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001195474311 1004971901 /nfs/dbraw/zinc/97/19/01/1004971901.db2.gz VNNRSVZPFTYXKW-IAGOWNOFSA-N 1 2 368.399 2.560 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001195474311 1004971904 /nfs/dbraw/zinc/97/19/04/1004971904.db2.gz VNNRSVZPFTYXKW-IAGOWNOFSA-N 1 2 368.399 2.560 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(Cl)c2)C[C@H]1O ZINC001195532033 1004986703 /nfs/dbraw/zinc/98/67/03/1004986703.db2.gz LNDDVBBRMZBOGX-KBRIMQKVSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(Cl)c2)C[C@H]1O ZINC001195532033 1004986705 /nfs/dbraw/zinc/98/67/05/1004986705.db2.gz LNDDVBBRMZBOGX-KBRIMQKVSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CCCC1(C(=O)N(C)C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC001487564390 1005075234 /nfs/dbraw/zinc/07/52/34/1005075234.db2.gz YOFRFBULTBCASE-IAGOWNOFSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCCC1(C(=O)N(C)C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC001487564390 1005075238 /nfs/dbraw/zinc/07/52/38/1005075238.db2.gz YOFRFBULTBCASE-IAGOWNOFSA-N 1 2 370.497 2.709 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001055074243 1016948465 /nfs/dbraw/zinc/94/84/65/1016948465.db2.gz WNHKWHKXBZAAJF-HKBOAZHASA-N 1 2 374.488 2.797 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)C1(C(F)F)CC1 ZINC001110563681 1005207907 /nfs/dbraw/zinc/20/79/07/1005207907.db2.gz SGZUTCLLCHUKOS-ZACQAIPSSA-N 1 2 362.395 2.944 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)C1(C(F)F)CC1 ZINC001110563681 1005207909 /nfs/dbraw/zinc/20/79/09/1005207909.db2.gz SGZUTCLLCHUKOS-ZACQAIPSSA-N 1 2 362.395 2.944 20 30 FFEDLO C=C(C)CCC(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC001488524169 1005359256 /nfs/dbraw/zinc/35/92/56/1005359256.db2.gz VPHRLVIWIOTRHZ-INMHGKMJSA-N 1 2 360.502 2.527 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)(C)C ZINC001110595624 1005405697 /nfs/dbraw/zinc/40/56/97/1005405697.db2.gz ZDLWBWYMIUXNKP-KURKYZTESA-N 1 2 361.530 2.639 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)(C)C ZINC001110595624 1005405698 /nfs/dbraw/zinc/40/56/98/1005405698.db2.gz ZDLWBWYMIUXNKP-KURKYZTESA-N 1 2 361.530 2.639 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001489097530 1005407960 /nfs/dbraw/zinc/40/79/60/1005407960.db2.gz AEESLMOLVCEMDQ-HKUYNNGSSA-N 1 2 370.468 2.791 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001489097530 1005407961 /nfs/dbraw/zinc/40/79/61/1005407961.db2.gz AEESLMOLVCEMDQ-HKUYNNGSSA-N 1 2 370.468 2.791 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC3CCC3)[C@@H]2C)CCCC1 ZINC001489317235 1005463088 /nfs/dbraw/zinc/46/30/88/1005463088.db2.gz LNANYFAPYGGXOL-AEFFLSMTSA-N 1 2 361.530 2.618 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC3CCC3)[C@@H]2C)CCCC1 ZINC001489317235 1005463090 /nfs/dbraw/zinc/46/30/90/1005463090.db2.gz LNANYFAPYGGXOL-AEFFLSMTSA-N 1 2 361.530 2.618 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)CCCCC1 ZINC001489668282 1005534660 /nfs/dbraw/zinc/53/46/60/1005534660.db2.gz HLIKKRJBGPGWDU-IAGOWNOFSA-N 1 2 370.497 2.538 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001489905851 1005583562 /nfs/dbraw/zinc/58/35/62/1005583562.db2.gz JOOZYTDKIXJWNT-ARFHVFGLSA-N 1 2 370.497 2.587 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1CC ZINC001490010518 1005614966 /nfs/dbraw/zinc/61/49/66/1005614966.db2.gz VTRLKYCGVWCKST-LSDHHAIUSA-N 1 2 354.454 2.656 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)[C@H]1C ZINC001490105294 1005646159 /nfs/dbraw/zinc/64/61/59/1005646159.db2.gz RTZOSJHMDHDXMV-QAPCUYQASA-N 1 2 371.481 2.507 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1ccc(C)o1 ZINC001110610838 1005671158 /nfs/dbraw/zinc/67/11/58/1005671158.db2.gz UJTLBDKXFBROQK-QRQLOZEOSA-N 1 2 373.497 2.624 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1ccc(C)o1 ZINC001110610838 1005671160 /nfs/dbraw/zinc/67/11/60/1005671160.db2.gz UJTLBDKXFBROQK-QRQLOZEOSA-N 1 2 373.497 2.624 20 30 FFEDLO CCCCCC[C@@](O)(C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)C(=O)OC ZINC000851882105 1005920100 /nfs/dbraw/zinc/92/01/00/1005920100.db2.gz UYTXMAGKVLNISE-TZIWHRDSSA-N 1 2 374.481 2.806 20 30 FFEDLO CCCCCC[C@@](O)(C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)C(=O)OC ZINC000851882105 1005920103 /nfs/dbraw/zinc/92/01/03/1005920103.db2.gz UYTXMAGKVLNISE-TZIWHRDSSA-N 1 2 374.481 2.806 20 30 FFEDLO C#C[C@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCOCC1 ZINC000852640431 1006118079 /nfs/dbraw/zinc/11/80/79/1006118079.db2.gz YVXYZOLTXBPPKT-HKUYNNGSSA-N 1 2 370.497 2.537 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nc(-c4ccco4)no3)C[C@H]21 ZINC001187714533 1006210429 /nfs/dbraw/zinc/21/04/29/1006210429.db2.gz TWFUQJBZWMDRQR-OWCLPIDISA-N 1 2 368.437 2.727 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nc(-c4ccco4)no3)C[C@H]21 ZINC001187714533 1006210439 /nfs/dbraw/zinc/21/04/39/1006210439.db2.gz TWFUQJBZWMDRQR-OWCLPIDISA-N 1 2 368.437 2.727 20 30 FFEDLO C=CCCOCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3cscn3)C[C@H]21 ZINC001187903822 1006294469 /nfs/dbraw/zinc/29/44/69/1006294469.db2.gz KOWIRCCFKGCJJG-FUHWJXTLSA-N 1 2 363.527 2.939 20 30 FFEDLO C=CCCOCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cscn3)C[C@H]21 ZINC001187903822 1006294474 /nfs/dbraw/zinc/29/44/74/1006294474.db2.gz KOWIRCCFKGCJJG-FUHWJXTLSA-N 1 2 363.527 2.939 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000853320122 1006365934 /nfs/dbraw/zinc/36/59/34/1006365934.db2.gz QQWWGESQQNAGHW-MRXNPFEDSA-N 1 2 364.449 2.664 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000814664850 1006399512 /nfs/dbraw/zinc/39/95/12/1006399512.db2.gz HFGDJIZNIMLUKS-HNNXBMFYSA-N 1 2 357.454 2.941 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000814664850 1006399524 /nfs/dbraw/zinc/39/95/24/1006399524.db2.gz HFGDJIZNIMLUKS-HNNXBMFYSA-N 1 2 357.454 2.941 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3cn(-c4ccccc4)nn3)C[C@H]21 ZINC001188087256 1006404076 /nfs/dbraw/zinc/40/40/76/1006404076.db2.gz MPTLXOUORCXGDO-FXAWDEMLSA-N 1 2 365.481 2.656 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3cn(-c4ccccc4)nn3)C[C@H]21 ZINC001188087256 1006404085 /nfs/dbraw/zinc/40/40/85/1006404085.db2.gz MPTLXOUORCXGDO-FXAWDEMLSA-N 1 2 365.481 2.656 20 30 FFEDLO CCC[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000132301795 1006901184 /nfs/dbraw/zinc/90/11/84/1006901184.db2.gz QMERZGWXONKUHF-HZPDHXFCSA-N 1 2 350.422 2.725 20 30 FFEDLO CCC[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000132301795 1006901191 /nfs/dbraw/zinc/90/11/91/1006901191.db2.gz QMERZGWXONKUHF-HZPDHXFCSA-N 1 2 350.422 2.725 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883670953 1006939989 /nfs/dbraw/zinc/93/99/89/1006939989.db2.gz XBVOMFBVGDBDNE-OTWHNJEPSA-N 1 2 354.454 2.905 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000776800948 1007257096 /nfs/dbraw/zinc/25/70/96/1007257096.db2.gz CUWDUNJBRLRUJD-MAUKXSAKSA-N 1 2 359.470 2.981 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000776800948 1007257104 /nfs/dbraw/zinc/25/71/04/1007257104.db2.gz CUWDUNJBRLRUJD-MAUKXSAKSA-N 1 2 359.470 2.981 20 30 FFEDLO CCCCCCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001189936372 1007379957 /nfs/dbraw/zinc/37/99/57/1007379957.db2.gz FJRYSLBILYJNOZ-PKOBYXMFSA-N 1 2 361.534 2.989 20 30 FFEDLO CCCCCCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001189936372 1007379968 /nfs/dbraw/zinc/37/99/68/1007379968.db2.gz FJRYSLBILYJNOZ-PKOBYXMFSA-N 1 2 361.534 2.989 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206334048 1032236676 /nfs/dbraw/zinc/23/66/76/1032236676.db2.gz ZHPUJENVWMKCGE-SPYBWZPUSA-N 1 2 361.461 2.695 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206334048 1032236691 /nfs/dbraw/zinc/23/66/91/1032236691.db2.gz ZHPUJENVWMKCGE-SPYBWZPUSA-N 1 2 361.461 2.695 20 30 FFEDLO COc1ccccc1Cc1cn(CC(=O)NCc2cccc(C#N)c2)c[nH+]1 ZINC001190274291 1007555942 /nfs/dbraw/zinc/55/59/42/1007555942.db2.gz SLOZVEXHLHEOKL-UHFFFAOYSA-N 1 2 360.417 2.671 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001190458322 1007652367 /nfs/dbraw/zinc/65/23/67/1007652367.db2.gz AVJBYIOKIUTJAA-HRCADAONSA-N 1 2 361.486 2.596 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001190458322 1007652372 /nfs/dbraw/zinc/65/23/72/1007652372.db2.gz AVJBYIOKIUTJAA-HRCADAONSA-N 1 2 361.486 2.596 20 30 FFEDLO CCCCCC[NH+]1CCN(S(=O)(=O)c2cc(C#N)ccc2F)CC1 ZINC001190631320 1007728733 /nfs/dbraw/zinc/72/87/33/1007728733.db2.gz TYAWTSRMUDROMA-UHFFFAOYSA-N 1 2 353.463 2.584 20 30 FFEDLO C=CCC1(S(=O)(=O)Nc2ccc(OC)nc2-n2cc[nH+]c2CC)CC1 ZINC001190776945 1007778517 /nfs/dbraw/zinc/77/85/17/1007778517.db2.gz RGRYJEMNHXTQMP-UHFFFAOYSA-N 1 2 362.455 2.689 20 30 FFEDLO O=C(C#Cc1ccc2c(c1)OCO2)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000136109926 1007780938 /nfs/dbraw/zinc/78/09/38/1007780938.db2.gz MSXCSOPXTLUZTH-UHFFFAOYSA-N 1 2 369.446 2.848 20 30 FFEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)c2cccc3[nH+]ccn32)ccc1OC ZINC000776920781 1008073538 /nfs/dbraw/zinc/07/35/38/1008073538.db2.gz ICWLHPNALKFELN-HNNXBMFYSA-N 1 2 364.405 2.954 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858012683 1008276905 /nfs/dbraw/zinc/27/69/05/1008276905.db2.gz BGWPAXYZFWVKAJ-WIYYLYMNSA-N 1 2 370.497 2.857 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858012683 1008276906 /nfs/dbraw/zinc/27/69/06/1008276906.db2.gz BGWPAXYZFWVKAJ-WIYYLYMNSA-N 1 2 370.497 2.857 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858047004 1008288778 /nfs/dbraw/zinc/28/87/78/1008288778.db2.gz HQYZEBUHUBFMNU-ICSRJNTNSA-N 1 2 362.433 2.510 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858047004 1008288779 /nfs/dbraw/zinc/28/87/79/1008288779.db2.gz HQYZEBUHUBFMNU-ICSRJNTNSA-N 1 2 362.433 2.510 20 30 FFEDLO C#C[C@H](CCC)NC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000820641428 1008355380 /nfs/dbraw/zinc/35/53/80/1008355380.db2.gz UQRBSAZSWXJKDN-UYAOXDASSA-N 1 2 357.498 2.721 20 30 FFEDLO COc1ccc(-c2cc(C[NH+]3CCOCC3)ccc2OC)nc1CC#N ZINC001206503151 1032317090 /nfs/dbraw/zinc/31/70/90/1032317090.db2.gz PXUXSNOMHMDVPQ-UHFFFAOYSA-N 1 2 353.422 2.664 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2c(C)cccc2CC)C[C@H]1C ZINC001206509205 1032319224 /nfs/dbraw/zinc/31/92/24/1032319224.db2.gz GAEPMUHMCACKGG-SJLPKXTDSA-N 1 2 357.498 2.899 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2c(C)cccc2CC)C[C@H]1C ZINC001206509205 1032319230 /nfs/dbraw/zinc/31/92/30/1032319230.db2.gz GAEPMUHMCACKGG-SJLPKXTDSA-N 1 2 357.498 2.899 20 30 FFEDLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000805775920 1008513844 /nfs/dbraw/zinc/51/38/44/1008513844.db2.gz LDNAIYQRZPUWQR-INIZCTEOSA-N 1 2 373.453 2.836 20 30 FFEDLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000805775920 1008513847 /nfs/dbraw/zinc/51/38/47/1008513847.db2.gz LDNAIYQRZPUWQR-INIZCTEOSA-N 1 2 373.453 2.836 20 30 FFEDLO COC(=O)c1ccc(C#N)cc1-c1cc(C[NH+]2CCOCC2)ccc1OC ZINC001206539526 1032335001 /nfs/dbraw/zinc/33/50/01/1032335001.db2.gz LBTCRVLSZGVODW-UHFFFAOYSA-N 1 2 366.417 2.853 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(F)cn2)C3)ccc1F ZINC001095341582 1008752677 /nfs/dbraw/zinc/75/26/77/1008752677.db2.gz HXZBJDWHQXVAMY-MNEFBYGVSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(F)cn2)C3)ccc1F ZINC001095341582 1008752687 /nfs/dbraw/zinc/75/26/87/1008752687.db2.gz HXZBJDWHQXVAMY-MNEFBYGVSA-N 1 2 368.387 2.767 20 30 FFEDLO CC(C)OC(=O)C1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000886723958 1008844015 /nfs/dbraw/zinc/84/40/15/1008844015.db2.gz RLPUOAHUQUUSFH-UHFFFAOYSA-N 1 2 354.410 2.772 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2nc(C)c(C(C)(C)C)s2)C[C@H]1C ZINC001206614667 1032365617 /nfs/dbraw/zinc/36/56/17/1032365617.db2.gz ZYCMFSWUWUCKLZ-UKRRQHHQSA-N 1 2 365.543 2.888 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2nc(C)c(C(C)(C)C)s2)C[C@H]1C ZINC001206614667 1032365626 /nfs/dbraw/zinc/36/56/26/1032365626.db2.gz ZYCMFSWUWUCKLZ-UKRRQHHQSA-N 1 2 365.543 2.888 20 30 FFEDLO C#CCC1([NH2+]Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)CCOCC1 ZINC000887123302 1009040346 /nfs/dbraw/zinc/04/03/46/1009040346.db2.gz IVFLYQMULWNVLQ-UHFFFAOYSA-N 1 2 374.441 2.592 20 30 FFEDLO CCc1[nH]c(CNC(=O)c2occc2COc2cccc(C#N)c2)c[nH+]1 ZINC001178669096 1009075756 /nfs/dbraw/zinc/07/57/56/1009075756.db2.gz CYKKUDBTCDLYEG-UHFFFAOYSA-N 1 2 350.378 2.946 20 30 FFEDLO CCc1[nH]cc(CNC(=O)c2occc2COc2cccc(C#N)c2)[nH+]1 ZINC001178669096 1009075772 /nfs/dbraw/zinc/07/57/72/1009075772.db2.gz CYKKUDBTCDLYEG-UHFFFAOYSA-N 1 2 350.378 2.946 20 30 FFEDLO Cc1cccc(NC(=O)N2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)c1 ZINC000125991749 1009211058 /nfs/dbraw/zinc/21/10/58/1009211058.db2.gz WRERZYJBHQAAER-HXUWFJFHSA-N 1 2 364.449 2.750 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000823899985 1009263052 /nfs/dbraw/zinc/26/30/52/1009263052.db2.gz XYNQRRCXRBMASN-CQSZACIVSA-N 1 2 357.414 2.860 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000861397664 1009389604 /nfs/dbraw/zinc/38/96/04/1009389604.db2.gz KQFCLAYVMQJTCA-KRWDZBQOSA-N 1 2 355.482 2.549 20 30 FFEDLO COCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110810069 1009651342 /nfs/dbraw/zinc/65/13/42/1009651342.db2.gz FECVEYDIIXWEFQ-NXHRZFHOSA-N 1 2 359.445 2.591 20 30 FFEDLO COCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110810069 1009651350 /nfs/dbraw/zinc/65/13/50/1009651350.db2.gz FECVEYDIIXWEFQ-NXHRZFHOSA-N 1 2 359.445 2.591 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152248180 1009769640 /nfs/dbraw/zinc/76/96/40/1009769640.db2.gz WXRWLMHVGSYVTK-CJNGLKHVSA-N 1 2 364.453 2.760 20 30 FFEDLO C=CCCC[C@H](C)OC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000773874892 1009832531 /nfs/dbraw/zinc/83/25/31/1009832531.db2.gz HKMZOLKUHKTOQP-KRWDZBQOSA-N 1 2 359.470 2.798 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cn(C)nc1C1CCOCC1 ZINC001181688271 1010192429 /nfs/dbraw/zinc/19/24/29/1010192429.db2.gz REOACRLSKLIXBZ-UHFFFAOYSA-N 1 2 359.470 2.978 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cn(C)nc1C1CCOCC1 ZINC001181688271 1010192438 /nfs/dbraw/zinc/19/24/38/1010192438.db2.gz REOACRLSKLIXBZ-UHFFFAOYSA-N 1 2 359.470 2.978 20 30 FFEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001093785768 1010559372 /nfs/dbraw/zinc/55/93/72/1010559372.db2.gz YNEQESJDRAMBMK-BREBYQMCSA-N 1 2 363.380 2.704 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001093785768 1010559380 /nfs/dbraw/zinc/55/93/80/1010559380.db2.gz YNEQESJDRAMBMK-BREBYQMCSA-N 1 2 363.380 2.704 20 30 FFEDLO N#Cc1cccc(Oc2ccc(NC(=O)/C=C\C[NH+]3CCOCC3)cn2)c1 ZINC000864857998 1010602234 /nfs/dbraw/zinc/60/22/34/1010602234.db2.gz GKXFFGWDYUMCPD-DJWKRKHSSA-N 1 2 364.405 2.572 20 30 FFEDLO C[C@@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cccc(C#N)c1O ZINC000866370061 1010984758 /nfs/dbraw/zinc/98/47/58/1010984758.db2.gz RFICRDPPGRWAJH-HIFRSBDPSA-N 1 2 361.442 2.550 20 30 FFEDLO C#C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)c1ccccc1 ZINC000868736102 1011446074 /nfs/dbraw/zinc/44/60/74/1011446074.db2.gz LSVXCMSJHUPFJG-GOSISDBHSA-N 1 2 366.490 2.809 20 30 FFEDLO CCOC(=O)C1(C)CCC([NH2+][C@@H](Cc2ccc(C#N)cc2)C(=O)OC)CC1 ZINC001171948538 1011553606 /nfs/dbraw/zinc/55/36/06/1011553606.db2.gz NTGZGIUQHNVUNL-WBTXTPOCSA-N 1 2 372.465 2.744 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@]12CC(=O)N(CC(F)F)C2 ZINC001275037841 1011845865 /nfs/dbraw/zinc/84/58/65/1011845865.db2.gz GVYFHHRFMUETEC-GOSISDBHSA-N 1 2 351.372 2.919 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@]12CC(=O)N(CC(F)F)C2 ZINC001275037841 1011845875 /nfs/dbraw/zinc/84/58/75/1011845875.db2.gz GVYFHHRFMUETEC-GOSISDBHSA-N 1 2 351.372 2.919 20 30 FFEDLO N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2c[nH]c(Br)c2)C1=O ZINC001276750654 1032587181 /nfs/dbraw/zinc/58/71/81/1032587181.db2.gz PUWPRNPSOSEYHX-INIZCTEOSA-N 1 2 365.275 2.648 20 30 FFEDLO N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2c[nH]c(Br)c2)C1=O ZINC001276750654 1032587192 /nfs/dbraw/zinc/58/71/92/1032587192.db2.gz PUWPRNPSOSEYHX-INIZCTEOSA-N 1 2 365.275 2.648 20 30 FFEDLO CC(C)(C)OC(=O)NCCCOC1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000828075585 1032593437 /nfs/dbraw/zinc/59/34/37/1032593437.db2.gz FLBZQOXBFVPKLF-UHFFFAOYSA-N 1 2 374.485 2.849 20 30 FFEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(O)cc(F)cc1F ZINC001275230101 1012112924 /nfs/dbraw/zinc/11/29/24/1012112924.db2.gz VSYIKVIYIZMPFE-IBGZPJMESA-N 1 2 363.408 2.931 20 30 FFEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)cc(F)cc1F ZINC001275230101 1012112935 /nfs/dbraw/zinc/11/29/35/1012112935.db2.gz VSYIKVIYIZMPFE-IBGZPJMESA-N 1 2 363.408 2.931 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH+](Cc3ccco3)CC2)C[C@H]1C#N ZINC001172986180 1012153573 /nfs/dbraw/zinc/15/35/73/1012153573.db2.gz UWIBBKQQTHAQBO-IRXDYDNUSA-N 1 2 374.485 2.689 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(Cc3ccco3)CC2)C[C@H]1C#N ZINC001172986180 1012153584 /nfs/dbraw/zinc/15/35/84/1012153584.db2.gz UWIBBKQQTHAQBO-IRXDYDNUSA-N 1 2 374.485 2.689 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)C[C@H]1C#N ZINC001172989514 1012156538 /nfs/dbraw/zinc/15/65/38/1012156538.db2.gz PGUCHEZSTHBTDO-ILXRZTDVSA-N 1 2 363.483 2.552 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)C[C@H]1C#N ZINC001172989514 1012156547 /nfs/dbraw/zinc/15/65/47/1012156547.db2.gz PGUCHEZSTHBTDO-ILXRZTDVSA-N 1 2 363.483 2.552 20 30 FFEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)c(Cl)cc1F)CC2 ZINC001275262028 1012164430 /nfs/dbraw/zinc/16/44/30/1012164430.db2.gz WHYMNVVKWJFFNB-CYBMUJFWSA-N 1 2 352.812 2.970 20 30 FFEDLO CCCC[N@H+](CC#N)[C@@H]1CCN(Cc2ccc(OC)cc2OC)C(=O)C1 ZINC001173039810 1012201378 /nfs/dbraw/zinc/20/13/78/1012201378.db2.gz SMIMQPLBHJCSLE-QGZVFWFLSA-N 1 2 359.470 2.820 20 30 FFEDLO CCCC[N@@H+](CC#N)[C@@H]1CCN(Cc2ccc(OC)cc2OC)C(=O)C1 ZINC001173039810 1012201395 /nfs/dbraw/zinc/20/13/95/1012201395.db2.gz SMIMQPLBHJCSLE-QGZVFWFLSA-N 1 2 359.470 2.820 20 30 FFEDLO COc1cccc([C@@H]2CN(C(=O)[C@H](C)Cc3ccc(C#N)cc3)CC[NH2+]2)c1 ZINC000870154305 1012215694 /nfs/dbraw/zinc/21/56/94/1012215694.db2.gz JFRMZNIMJWZCLE-IERDGZPVSA-N 1 2 363.461 2.919 20 30 FFEDLO COc1cccc([C@@H]2CN(C(=O)c3cc(F)c(C#N)c(F)c3)CC[NH2+]2)c1 ZINC000870154121 1012215750 /nfs/dbraw/zinc/21/57/50/1012215750.db2.gz YVOGXCMFSJXCGI-SFHVURJKSA-N 1 2 357.360 2.632 20 30 FFEDLO COc1cccc([C@H]2CN(C(=O)[C@H](C)Cc3ccc(C#N)cc3)CC[NH2+]2)c1 ZINC000870154306 1012215986 /nfs/dbraw/zinc/21/59/86/1012215986.db2.gz JFRMZNIMJWZCLE-IIBYNOLFSA-N 1 2 363.461 2.919 20 30 FFEDLO COc1cccc(C[NH+]2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)c1 ZINC000870157732 1012221423 /nfs/dbraw/zinc/22/14/23/1012221423.db2.gz MIVFVDVJUISMBK-UHFFFAOYSA-N 1 2 353.397 2.664 20 30 FFEDLO C=CCCCCCC[N@H+]1C[C@]2(F)CN([C@H](C)C(=O)OCC)C(=O)[C@]2(F)C1 ZINC001275328795 1012307892 /nfs/dbraw/zinc/30/78/92/1012307892.db2.gz CQRHEAZNESGPDH-AYOQOUSVSA-N 1 2 372.456 2.649 20 30 FFEDLO C=CCCCCCC[N@@H+]1C[C@]2(F)CN([C@H](C)C(=O)OCC)C(=O)[C@]2(F)C1 ZINC001275328795 1012307895 /nfs/dbraw/zinc/30/78/95/1012307895.db2.gz CQRHEAZNESGPDH-AYOQOUSVSA-N 1 2 372.456 2.649 20 30 FFEDLO C=CCCCCCCCC[NH+]1CC2(C1)COCC(=O)N2[C@@H](C)C(C)=O ZINC001275336924 1012328056 /nfs/dbraw/zinc/32/80/56/1012328056.db2.gz MCSRXLFAJYJBCX-KRWDZBQOSA-N 1 2 350.503 2.794 20 30 FFEDLO N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2cnccc2C(F)(F)F)C1=O ZINC001275370619 1012380346 /nfs/dbraw/zinc/38/03/46/1012380346.db2.gz NWFDBAYYZXGHOZ-KRWDZBQOSA-N 1 2 366.387 2.971 20 30 FFEDLO N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cnccc2C(F)(F)F)C1=O ZINC001275370619 1012380362 /nfs/dbraw/zinc/38/03/62/1012380362.db2.gz NWFDBAYYZXGHOZ-KRWDZBQOSA-N 1 2 366.387 2.971 20 30 FFEDLO N#CCCCN1CC2(CCC1=O)CC[NH+](Cc1c(F)cncc1F)CC2 ZINC001275410296 1012433310 /nfs/dbraw/zinc/43/33/10/1012433310.db2.gz ZJYSVRXVUWZGGC-UHFFFAOYSA-N 1 2 362.424 2.868 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c[nH]nc1C(F)(F)F ZINC001275438776 1012464514 /nfs/dbraw/zinc/46/45/14/1012464514.db2.gz YGDHWWBVWOHBPJ-MRXNPFEDSA-N 1 2 356.392 2.962 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c[nH]nc1C(F)(F)F ZINC001275438776 1012464524 /nfs/dbraw/zinc/46/45/24/1012464524.db2.gz YGDHWWBVWOHBPJ-MRXNPFEDSA-N 1 2 356.392 2.962 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(F)cccc1OC(F)F ZINC001275454873 1012480558 /nfs/dbraw/zinc/48/05/58/1012480558.db2.gz AVACJRRYSPFHJD-HUUCEWRRSA-N 1 2 352.356 2.626 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(F)cccc1OC(F)F ZINC001275454873 1012480564 /nfs/dbraw/zinc/48/05/64/1012480564.db2.gz AVACJRRYSPFHJD-HUUCEWRRSA-N 1 2 352.356 2.626 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+]2CCc2c(Cl)nc(C)nc2Cl)C1=O ZINC001275532168 1012584894 /nfs/dbraw/zinc/58/48/94/1012584894.db2.gz IORGMNIBLYICOQ-QGZVFWFLSA-N 1 2 369.296 2.887 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+]2CCc2c(Cl)nc(C)nc2Cl)C1=O ZINC001275532168 1012584910 /nfs/dbraw/zinc/58/49/10/1012584910.db2.gz IORGMNIBLYICOQ-QGZVFWFLSA-N 1 2 369.296 2.887 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001095165430 1012585094 /nfs/dbraw/zinc/58/50/94/1012585094.db2.gz HFKREVZZVYYITQ-KCXAZCMYSA-N 1 2 356.451 2.760 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001095165430 1012585108 /nfs/dbraw/zinc/58/51/08/1012585108.db2.gz HFKREVZZVYYITQ-KCXAZCMYSA-N 1 2 356.451 2.760 20 30 FFEDLO C=C(C)CN1C(=O)C2(CC[NH+](CC(=O)OCC)CC2)[C@H]1c1ccccc1 ZINC001275555292 1012611569 /nfs/dbraw/zinc/61/15/69/1012611569.db2.gz RGICFAINEYLTEC-LJQANCHMSA-N 1 2 356.466 2.791 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)cnc1Cl ZINC001275568899 1012628596 /nfs/dbraw/zinc/62/85/96/1012628596.db2.gz MVCNEVHSSJVEAT-HUUCEWRRSA-N 1 2 350.825 2.743 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)cnc1Cl ZINC001275568899 1012628600 /nfs/dbraw/zinc/62/86/00/1012628600.db2.gz MVCNEVHSSJVEAT-HUUCEWRRSA-N 1 2 350.825 2.743 20 30 FFEDLO COC(C)(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)C1=O ZINC001275621558 1012718783 /nfs/dbraw/zinc/71/87/83/1012718783.db2.gz DSRWREDDJYRVBI-HXUWFJFHSA-N 1 2 359.445 2.689 20 30 FFEDLO COC(C)(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccc(C#N)c(F)c2)C1=O ZINC001275621558 1012718795 /nfs/dbraw/zinc/71/87/95/1012718795.db2.gz DSRWREDDJYRVBI-HXUWFJFHSA-N 1 2 359.445 2.689 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=COCCC2)C3)c1 ZINC001095225838 1012750497 /nfs/dbraw/zinc/75/04/97/1012750497.db2.gz LDIJGFQQZLORBU-NEWSRXKRSA-N 1 2 355.413 2.613 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=COCCC2)C3)c1 ZINC001095225838 1012750513 /nfs/dbraw/zinc/75/05/13/1012750513.db2.gz LDIJGFQQZLORBU-NEWSRXKRSA-N 1 2 355.413 2.613 20 30 FFEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1[nH]c(CCCC)nc1Cl)CC2 ZINC001275708563 1012891809 /nfs/dbraw/zinc/89/18/09/1012891809.db2.gz AWQDFRVCBGLWOI-CQSZACIVSA-N 1 2 362.905 2.757 20 30 FFEDLO CCc1ocnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095256043 1012970364 /nfs/dbraw/zinc/97/03/64/1012970364.db2.gz KHDUXRXNEOEFJV-PVAVHDDUSA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1ocnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095256043 1012970375 /nfs/dbraw/zinc/97/03/75/1012970375.db2.gz KHDUXRXNEOEFJV-PVAVHDDUSA-N 1 2 368.412 2.783 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C)n(C)n1)c1ccccc1 ZINC001111443619 1017116505 /nfs/dbraw/zinc/11/65/05/1017116505.db2.gz QXEBJSPHZKZBFQ-MHTWAQMVSA-N 1 2 364.493 2.920 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C)n(C)n1)c1ccccc1 ZINC001111443619 1017116510 /nfs/dbraw/zinc/11/65/10/1017116510.db2.gz QXEBJSPHZKZBFQ-MHTWAQMVSA-N 1 2 364.493 2.920 20 30 FFEDLO CCCCCCCC[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC)C[C@H]21 ZINC001222037108 1032681621 /nfs/dbraw/zinc/68/16/21/1032681621.db2.gz RAERTOZPDUHURN-KZNAEPCWSA-N 1 2 351.535 2.652 20 30 FFEDLO CCCCCCCC[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC)C[C@H]21 ZINC001222037108 1032681628 /nfs/dbraw/zinc/68/16/28/1032681628.db2.gz RAERTOZPDUHURN-KZNAEPCWSA-N 1 2 351.535 2.652 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)cc1NC(C)=O)C2 ZINC001097177397 1017148860 /nfs/dbraw/zinc/14/88/60/1017148860.db2.gz QRHRONHOMVMXJC-XYPHTWIQSA-N 1 2 365.836 2.872 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)cc1NC(C)=O)C2 ZINC001097177397 1017148863 /nfs/dbraw/zinc/14/88/63/1017148863.db2.gz QRHRONHOMVMXJC-XYPHTWIQSA-N 1 2 365.836 2.872 20 30 FFEDLO CCCCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(OC)c(C#N)c3)C[C@@H]21 ZINC001217302224 1032682781 /nfs/dbraw/zinc/68/27/81/1032682781.db2.gz ZLVGMADGXDAUBE-AZUAARDMSA-N 1 2 371.481 2.559 20 30 FFEDLO CCCCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(OC)c(C#N)c3)C[C@@H]21 ZINC001217302224 1032682788 /nfs/dbraw/zinc/68/27/88/1032682788.db2.gz ZLVGMADGXDAUBE-AZUAARDMSA-N 1 2 371.481 2.559 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001055223824 1017178618 /nfs/dbraw/zinc/17/86/18/1017178618.db2.gz WNVIUNNMRXEFFF-NSOKGPEJSA-N 1 2 370.497 2.555 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001051350170 1017283652 /nfs/dbraw/zinc/28/36/52/1017283652.db2.gz ANUAJDDIFLTNLF-KSZLIROESA-N 1 2 358.486 2.584 20 30 FFEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@]3(C)C[C@@H]3c3ccccc3)C2)CC1 ZINC001052096756 1017321376 /nfs/dbraw/zinc/32/13/76/1017321376.db2.gz OOEMNBSRVQQVIS-XPNTWCBSSA-N 1 2 367.537 2.975 20 30 FFEDLO Cc1noc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c1C ZINC001097297866 1017330452 /nfs/dbraw/zinc/33/04/52/1017330452.db2.gz LZOYSSVDLOVFHQ-KURKYZTESA-N 1 2 350.422 2.698 20 30 FFEDLO Cc1noc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c1C ZINC001097297866 1017330464 /nfs/dbraw/zinc/33/04/64/1017330464.db2.gz LZOYSSVDLOVFHQ-KURKYZTESA-N 1 2 350.422 2.698 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnn1-c1ccccc1)C2 ZINC001097347961 1017381459 /nfs/dbraw/zinc/38/14/59/1017381459.db2.gz GPUIDABIYGZWAB-ZACQAIPSSA-N 1 2 356.857 2.960 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnn1-c1ccccc1)C2 ZINC001097347961 1017381471 /nfs/dbraw/zinc/38/14/71/1017381471.db2.gz GPUIDABIYGZWAB-ZACQAIPSSA-N 1 2 356.857 2.960 20 30 FFEDLO CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)Cc2ccncc2C#N)cn1 ZINC000828421880 1032696487 /nfs/dbraw/zinc/69/64/87/1032696487.db2.gz SCMONYBEFWHUBN-OAQYLSRUSA-N 1 2 361.449 2.905 20 30 FFEDLO CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2ccncc2C#N)cn1 ZINC000828421880 1032696492 /nfs/dbraw/zinc/69/64/92/1032696492.db2.gz SCMONYBEFWHUBN-OAQYLSRUSA-N 1 2 361.449 2.905 20 30 FFEDLO C[NH+](C)Cc1csc(CNC(=O)NC(C)(C)Cc2ccc(C#N)cc2)n1 ZINC000924786156 1017480912 /nfs/dbraw/zinc/48/09/12/1017480912.db2.gz BBSJJSPNUAXDSN-UHFFFAOYSA-N 1 2 371.510 2.897 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001055466286 1017560312 /nfs/dbraw/zinc/56/03/12/1017560312.db2.gz WEJVVXNNCCACGX-KURKYZTESA-N 1 2 365.481 2.875 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ncc2ccccn21 ZINC001097538486 1017579283 /nfs/dbraw/zinc/57/92/83/1017579283.db2.gz BWUFQXRORVTFPR-NRSPTQNISA-N 1 2 370.456 2.721 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ncc2ccccn21 ZINC001097538486 1017579288 /nfs/dbraw/zinc/57/92/88/1017579288.db2.gz BWUFQXRORVTFPR-NRSPTQNISA-N 1 2 370.456 2.721 20 30 FFEDLO C=CCCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)cc3F)C[C@H]21 ZINC001222064377 1032726285 /nfs/dbraw/zinc/72/62/85/1032726285.db2.gz QXEOLUQVTSRRJM-CRAIPNDOSA-N 1 2 350.409 2.590 20 30 FFEDLO C=CCCOCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)cc3F)C[C@H]21 ZINC001222064377 1032726295 /nfs/dbraw/zinc/72/62/95/1032726295.db2.gz QXEOLUQVTSRRJM-CRAIPNDOSA-N 1 2 350.409 2.590 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)ccc3F)C[C@H]21 ZINC001222068941 1032730424 /nfs/dbraw/zinc/73/04/24/1032730424.db2.gz DHABJYXYGJNRSE-PMUMKWKESA-N 1 2 350.409 2.589 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)ccc3F)C[C@H]21 ZINC001222068941 1032730437 /nfs/dbraw/zinc/73/04/37/1032730437.db2.gz DHABJYXYGJNRSE-PMUMKWKESA-N 1 2 350.409 2.589 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CCCCC2)C1 ZINC001097802418 1017950633 /nfs/dbraw/zinc/95/06/33/1017950633.db2.gz IAEJEUNCQLOJOM-KURKYZTESA-N 1 2 359.514 2.513 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CCCCC2)C1 ZINC001097802418 1017950641 /nfs/dbraw/zinc/95/06/41/1017950641.db2.gz IAEJEUNCQLOJOM-KURKYZTESA-N 1 2 359.514 2.513 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cn(C)nc2C(F)F)C1 ZINC001097805407 1017952546 /nfs/dbraw/zinc/95/25/46/1017952546.db2.gz NRWNFKISIJUNET-KFWWJZLASA-N 1 2 364.440 2.936 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cn(C)nc2C(F)F)C1 ZINC001097805407 1017952556 /nfs/dbraw/zinc/95/25/56/1017952556.db2.gz NRWNFKISIJUNET-KFWWJZLASA-N 1 2 364.440 2.936 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1conc1C1CC1)C2 ZINC001097818679 1017981041 /nfs/dbraw/zinc/98/10/41/1017981041.db2.gz QGBKEFHNROQRQY-QRQLOZEOSA-N 1 2 362.433 2.959 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1conc1C1CC1)C2 ZINC001097818679 1017981051 /nfs/dbraw/zinc/98/10/51/1017981051.db2.gz QGBKEFHNROQRQY-QRQLOZEOSA-N 1 2 362.433 2.959 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC2CC2)C[C@H]1Nc1cccc(F)c1C#N ZINC001052714315 1018051934 /nfs/dbraw/zinc/05/19/34/1018051934.db2.gz MIWMNZKUXYYSQD-CRAIPNDOSA-N 1 2 367.428 2.637 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cc(C)ncn2)C1 ZINC001052750143 1018082625 /nfs/dbraw/zinc/08/26/25/1018082625.db2.gz GOCXOBRFYWMNRT-QINHECLXSA-N 1 2 368.485 2.527 20 30 FFEDLO Cc1cc(N2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC001052830148 1018107683 /nfs/dbraw/zinc/10/76/83/1018107683.db2.gz MDKXNZYCCFSMSL-CZUORRHYSA-N 1 2 366.469 2.611 20 30 FFEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)cc1 ZINC000827852928 1018788064 /nfs/dbraw/zinc/78/80/64/1018788064.db2.gz ZINHEDAYJDQGKZ-WWGRRREGSA-N 1 2 369.387 2.866 20 30 FFEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)cc1 ZINC000827852928 1018788074 /nfs/dbraw/zinc/78/80/74/1018788074.db2.gz ZINHEDAYJDQGKZ-WWGRRREGSA-N 1 2 369.387 2.866 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(c3nc(C)[nH+]c4c3CCCC4)C[C@H]2C)C1 ZINC001042470621 1019045917 /nfs/dbraw/zinc/04/59/17/1019045917.db2.gz HJUZDOCENNKVCE-RDTXWAMCSA-N 1 2 354.498 2.961 20 30 FFEDLO Cc1ccc(C#N)c(N2C[C@@H](C)[C@H](NC(=O)c3c(C)cc(C)[nH+]c3C)C2)n1 ZINC001042683824 1019101617 /nfs/dbraw/zinc/10/16/17/1019101617.db2.gz QRKZRHHGUUCQAO-FZKQIMNGSA-N 1 2 363.465 2.837 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC001067916732 1019188726 /nfs/dbraw/zinc/18/87/26/1019188726.db2.gz PEGWDJLBXFWQKY-HIEASXQVSA-N 1 2 358.486 2.948 20 30 FFEDLO C=CCOc1ccc(CC(=O)N2C[C@@H](C)[C@H](Nc3cc[nH+]c(C)n3)C2)cc1 ZINC001043223715 1019255863 /nfs/dbraw/zinc/25/58/63/1019255863.db2.gz OLZJDFNKBUQQJQ-DNVCBOLYSA-N 1 2 366.465 2.851 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2ccco2)C3)c(F)c1 ZINC001096214117 1019397935 /nfs/dbraw/zinc/39/79/35/1019397935.db2.gz QYVUXIHWDJGYHO-MNEFBYGVSA-N 1 2 353.397 2.755 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2ccco2)C3)c(F)c1 ZINC001096214117 1019397949 /nfs/dbraw/zinc/39/79/49/1019397949.db2.gz QYVUXIHWDJGYHO-MNEFBYGVSA-N 1 2 353.397 2.755 20 30 FFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H](Nc2cccc(F)c2C#N)C1 ZINC001043557107 1019506835 /nfs/dbraw/zinc/50/68/35/1019506835.db2.gz XBADFKNLSHOTSZ-VEVIJQCQSA-N 1 2 355.417 2.558 20 30 FFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H](Nc2cccc(F)c2C#N)C1 ZINC001043557107 1019506842 /nfs/dbraw/zinc/50/68/42/1019506842.db2.gz XBADFKNLSHOTSZ-VEVIJQCQSA-N 1 2 355.417 2.558 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3O)CC2)cc1 ZINC000929585845 1019525381 /nfs/dbraw/zinc/52/53/81/1019525381.db2.gz VRSPFVCHKCTWKJ-UHFFFAOYSA-N 1 2 353.397 2.751 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3O)CC2)cc1 ZINC000929585845 1019525393 /nfs/dbraw/zinc/52/53/93/1019525393.db2.gz VRSPFVCHKCTWKJ-UHFFFAOYSA-N 1 2 353.397 2.751 20 30 FFEDLO C=C1CCC(C(=O)N2CCO[C@@H]3CN(c4nc(C)[nH+]c(C)c4C)C[C@@H]32)CC1 ZINC001043789122 1019584113 /nfs/dbraw/zinc/58/41/13/1019584113.db2.gz JTIBNCUGVWMECQ-RBUKOAKNSA-N 1 2 370.497 2.564 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncccc2F)C3)ccc1F ZINC001098100910 1019736563 /nfs/dbraw/zinc/73/65/63/1019736563.db2.gz NZZOKCFIGNCINK-OLMNPRSZSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncccc2F)C3)ccc1F ZINC001098100910 1019736577 /nfs/dbraw/zinc/73/65/77/1019736577.db2.gz NZZOKCFIGNCINK-OLMNPRSZSA-N 1 2 368.387 2.767 20 30 FFEDLO CC[C@H](C)CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001217736576 1032853985 /nfs/dbraw/zinc/85/39/85/1032853985.db2.gz HPUXSWIAEYWFSB-FFZOFVMBSA-N 1 2 358.457 2.525 20 30 FFEDLO CC[C@H](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001217736576 1032854000 /nfs/dbraw/zinc/85/40/00/1032854000.db2.gz HPUXSWIAEYWFSB-FFZOFVMBSA-N 1 2 358.457 2.525 20 30 FFEDLO Cc1nc(NC[C@@H]2C[C@H](C)CCN2C(=O)[C@H](C)C#N)c2c([nH+]1)CCCC2 ZINC001048062351 1019831591 /nfs/dbraw/zinc/83/15/91/1019831591.db2.gz ZDMPAEKIOXDBGG-FMKPAKJESA-N 1 2 355.486 2.863 20 30 FFEDLO N#Cc1ccc(OCc2ccc(C(=O)O[C@@H]3CC[N@@H+](CCF)C3)o2)cc1 ZINC000802231650 1019914683 /nfs/dbraw/zinc/91/46/83/1019914683.db2.gz KERPULYMHLAKFG-MRXNPFEDSA-N 1 2 358.369 2.931 20 30 FFEDLO N#Cc1ccc(OCc2ccc(C(=O)O[C@@H]3CC[N@H+](CCF)C3)o2)cc1 ZINC000802231650 1019914692 /nfs/dbraw/zinc/91/46/92/1019914692.db2.gz KERPULYMHLAKFG-MRXNPFEDSA-N 1 2 358.369 2.931 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2CCc2ccccc2)CC1 ZINC000802271687 1019954470 /nfs/dbraw/zinc/95/44/70/1019954470.db2.gz PEJTXJOIYPQWQR-UHFFFAOYSA-N 1 2 371.488 2.943 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncc(C2CC2)o1 ZINC001045850216 1020236314 /nfs/dbraw/zinc/23/63/14/1020236314.db2.gz WMVIIHWNKAIPIF-XDNAFOTISA-N 1 2 371.481 2.708 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncc(C2CC2)o1 ZINC001045850216 1020236325 /nfs/dbraw/zinc/23/63/25/1020236325.db2.gz WMVIIHWNKAIPIF-XDNAFOTISA-N 1 2 371.481 2.708 20 30 FFEDLO C[C@@]1(Cc2ccccc2)CCN(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1=O ZINC000902600020 1020331220 /nfs/dbraw/zinc/33/12/20/1020331220.db2.gz PAOBVZVRVWDWQD-NRFANRHFSA-N 1 2 368.477 2.763 20 30 FFEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3CCOC[C@H]3C[C@H]3CCOC3)n2)cc1 ZINC000902604683 1020333515 /nfs/dbraw/zinc/33/35/15/1020333515.db2.gz IYXMVRXWQRFFSH-IEBWSBKVSA-N 1 2 352.438 2.507 20 30 FFEDLO N#Cc1ccc(-c2ccn(C[N@H+]3CCOC[C@H]3C[C@H]3CCOC3)n2)cc1 ZINC000902604683 1020333527 /nfs/dbraw/zinc/33/35/27/1020333527.db2.gz IYXMVRXWQRFFSH-IEBWSBKVSA-N 1 2 352.438 2.507 20 30 FFEDLO C[C@@H](C#N)OCCO[NH+]=C(N)c1ccc(COc2ccccc2F)cc1 ZINC000802730755 1020358650 /nfs/dbraw/zinc/35/86/50/1020358650.db2.gz ZDQUIPFGJSEPFQ-AWEZNQCLSA-N 1 2 357.385 2.970 20 30 FFEDLO C=CCC(CC=C)C(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001073123752 1020380216 /nfs/dbraw/zinc/38/02/16/1020380216.db2.gz IYBUHHRMJUABEP-IAGOWNOFSA-N 1 2 370.497 2.779 20 30 FFEDLO C=CCC(CC=C)C(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001073123752 1020380228 /nfs/dbraw/zinc/38/02/28/1020380228.db2.gz IYBUHHRMJUABEP-IAGOWNOFSA-N 1 2 370.497 2.779 20 30 FFEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cccc(C#Cc3cccs3)c2)CCO1 ZINC000726257505 1020447861 /nfs/dbraw/zinc/44/78/61/1020447861.db2.gz HIQLPEVBSTVQMR-MRXNPFEDSA-N 1 2 369.490 2.990 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cccc(C#Cc3cccs3)c2)CCO1 ZINC000726257505 1020447867 /nfs/dbraw/zinc/44/78/67/1020447867.db2.gz HIQLPEVBSTVQMR-MRXNPFEDSA-N 1 2 369.490 2.990 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)CSCCC)C[C@@H]21 ZINC001222351189 1032907456 /nfs/dbraw/zinc/90/74/56/1032907456.db2.gz DEWGRSXVQLNENL-KGLIPLIRSA-N 1 2 361.349 2.961 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)CSCCC)C[C@@H]21 ZINC001222351189 1032907469 /nfs/dbraw/zinc/90/74/69/1032907469.db2.gz DEWGRSXVQLNENL-KGLIPLIRSA-N 1 2 361.349 2.961 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001073700569 1020607792 /nfs/dbraw/zinc/60/77/92/1020607792.db2.gz QJBZKWDDINMJAD-WSTZPKSXSA-N 1 2 362.901 2.924 20 30 FFEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001073700569 1020607796 /nfs/dbraw/zinc/60/77/96/1020607796.db2.gz QJBZKWDDINMJAD-WSTZPKSXSA-N 1 2 362.901 2.924 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(C3CC3)n1)C2 ZINC001096096870 1020633943 /nfs/dbraw/zinc/63/39/43/1020633943.db2.gz YIQRAWMDUMSESF-HOJAQTOUSA-N 1 2 373.460 2.761 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(C3CC3)n1)C2 ZINC001096096870 1020633950 /nfs/dbraw/zinc/63/39/50/1020633950.db2.gz YIQRAWMDUMSESF-HOJAQTOUSA-N 1 2 373.460 2.761 20 30 FFEDLO CCCNc1ccc(C#N)cc1NC(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000900825841 1020662320 /nfs/dbraw/zinc/66/23/20/1020662320.db2.gz DTKZMMFGXQTCQA-UHFFFAOYSA-N 1 2 357.502 2.735 20 30 FFEDLO C[C@@H]([NH2+][C@H](c1ncccn1)C1CC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000932359421 1020780608 /nfs/dbraw/zinc/78/06/08/1020780608.db2.gz DVKQUJCUAFERFR-KDOFPFPSSA-N 1 2 367.428 2.992 20 30 FFEDLO Cc1c[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001098396439 1020869879 /nfs/dbraw/zinc/86/98/79/1020869879.db2.gz HUPPGKVMTLDKRS-LZQZEXGQSA-N 1 2 352.413 2.869 20 30 FFEDLO Cc1c[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001098396439 1020869884 /nfs/dbraw/zinc/86/98/84/1020869884.db2.gz HUPPGKVMTLDKRS-LZQZEXGQSA-N 1 2 352.413 2.869 20 30 FFEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)nc1-c1ccccn1 ZINC000749795973 1021036148 /nfs/dbraw/zinc/03/61/48/1021036148.db2.gz DSTRPNLKBPIKMM-HOTGVXAUSA-N 1 2 371.510 2.978 20 30 FFEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)nc1-c1ccccn1 ZINC000749795973 1021036156 /nfs/dbraw/zinc/03/61/56/1021036156.db2.gz DSTRPNLKBPIKMM-HOTGVXAUSA-N 1 2 371.510 2.978 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccncc2)C1 ZINC001098699762 1021048410 /nfs/dbraw/zinc/04/84/10/1021048410.db2.gz PZQOTVKELGXYRC-HOCLYGCPSA-N 1 2 350.260 2.575 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccncc2)C1 ZINC001098699762 1021048416 /nfs/dbraw/zinc/04/84/16/1021048416.db2.gz PZQOTVKELGXYRC-HOCLYGCPSA-N 1 2 350.260 2.575 20 30 FFEDLO COc1ccc(-c2noc(C[NH+]3CCC4(CC3)CC(=O)C=CO4)n2)cc1 ZINC000933653732 1021059660 /nfs/dbraw/zinc/05/96/60/1021059660.db2.gz IRZAPYGEHLWMRA-UHFFFAOYSA-N 1 2 355.394 2.583 20 30 FFEDLO CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933653698 1021059970 /nfs/dbraw/zinc/05/99/70/1021059970.db2.gz VXYAVEAXCOWMJZ-HNNXBMFYSA-N 1 2 358.438 2.750 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nccc(C)n1)C2 ZINC001098876042 1021291579 /nfs/dbraw/zinc/29/15/79/1021291579.db2.gz ZYTYSSKRRGGLGK-UWJYYQICSA-N 1 2 365.481 2.557 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nccc(C)n1)C2 ZINC001098876042 1021291590 /nfs/dbraw/zinc/29/15/90/1021291590.db2.gz ZYTYSSKRRGGLGK-UWJYYQICSA-N 1 2 365.481 2.557 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1nnc(C)o1)C2 ZINC001098876848 1021294911 /nfs/dbraw/zinc/29/49/11/1021294911.db2.gz ZFDPXARQXBJWQP-IIMJZQEZSA-N 1 2 369.469 2.711 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1nnc(C)o1)C2 ZINC001098876848 1021294922 /nfs/dbraw/zinc/29/49/22/1021294922.db2.gz ZFDPXARQXBJWQP-IIMJZQEZSA-N 1 2 369.469 2.711 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC001099032778 1021636705 /nfs/dbraw/zinc/63/67/05/1021636705.db2.gz FYXJWHIGJPXJTK-DLRJPAPCSA-N 1 2 371.481 2.614 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC001099032778 1021636732 /nfs/dbraw/zinc/63/67/32/1021636732.db2.gz FYXJWHIGJPXJTK-DLRJPAPCSA-N 1 2 371.481 2.614 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cc(F)ccc2C#N)C3)O1 ZINC001099040076 1021650213 /nfs/dbraw/zinc/65/02/13/1021650213.db2.gz RIZPKWPVGVMLLQ-GQNJESKTSA-N 1 2 371.456 2.736 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cc(F)ccc2C#N)C3)O1 ZINC001099040076 1021650217 /nfs/dbraw/zinc/65/02/17/1021650217.db2.gz RIZPKWPVGVMLLQ-GQNJESKTSA-N 1 2 371.456 2.736 20 30 FFEDLO C=CC1(CC(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)CCCCC1 ZINC000935674735 1021813224 /nfs/dbraw/zinc/81/32/24/1021813224.db2.gz VIQMBRXUMNOZRT-UHFFFAOYSA-N 1 2 364.530 2.899 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2csc(C)n2)C3)cn1 ZINC001099125747 1021873950 /nfs/dbraw/zinc/87/39/50/1021873950.db2.gz BQCWDZSHIGBAHI-JXFKEZNVSA-N 1 2 366.490 2.612 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2csc(C)n2)C3)cn1 ZINC001099125747 1021873960 /nfs/dbraw/zinc/87/39/60/1021873960.db2.gz BQCWDZSHIGBAHI-JXFKEZNVSA-N 1 2 366.490 2.612 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3ccco3)C2)c(F)c1 ZINC001015736267 1021955038 /nfs/dbraw/zinc/95/50/38/1021955038.db2.gz CAFWDXUWKRUNRA-GVDBMIGSSA-N 1 2 353.397 2.785 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3ccco3)C2)c(F)c1 ZINC001015736267 1021955046 /nfs/dbraw/zinc/95/50/46/1021955046.db2.gz CAFWDXUWKRUNRA-GVDBMIGSSA-N 1 2 353.397 2.785 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001015817011 1021961452 /nfs/dbraw/zinc/96/14/52/1021961452.db2.gz RXSLUBDYJLKWIZ-BJLQDIEVSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001015817011 1021961460 /nfs/dbraw/zinc/96/14/60/1021961460.db2.gz RXSLUBDYJLKWIZ-BJLQDIEVSA-N 1 2 371.456 2.759 20 30 FFEDLO COC[C@@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001111208477 1022417178 /nfs/dbraw/zinc/41/71/78/1022417178.db2.gz NDPQGUFZUQMWNM-QVSURHGTSA-N 1 2 359.445 2.591 20 30 FFEDLO COC[C@@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001111208477 1022417179 /nfs/dbraw/zinc/41/71/79/1022417179.db2.gz NDPQGUFZUQMWNM-QVSURHGTSA-N 1 2 359.445 2.591 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncc(C(C)C)o2)C1 ZINC001019491102 1022481291 /nfs/dbraw/zinc/48/12/91/1022481291.db2.gz PSOJRUVCYMRZRQ-BXWFABGCSA-N 1 2 361.486 2.860 20 30 FFEDLO Cc1nc(O[C@@H]2C[NH2+]CC2(F)F)c(C#N)cc1-c1ccc2nccn2c1 ZINC001218237622 1033062439 /nfs/dbraw/zinc/06/24/39/1033062439.db2.gz WHRJWRXAYCXELY-OAHLLOKOSA-N 1 2 355.348 2.562 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cnc(-c2ccccc2)o1 ZINC001038714648 1022684462 /nfs/dbraw/zinc/68/44/62/1022684462.db2.gz RPXYJZIZDGALQZ-UHOSZYNNSA-N 1 2 367.449 2.623 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cnc(-c2ccccc2)o1 ZINC001038714648 1022684464 /nfs/dbraw/zinc/68/44/64/1022684464.db2.gz RPXYJZIZDGALQZ-UHOSZYNNSA-N 1 2 367.449 2.623 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1oc(CCC)nc1C ZINC001038806870 1022717197 /nfs/dbraw/zinc/71/71/97/1022717197.db2.gz CEMUFMQIZMYCOM-BXWFABGCSA-N 1 2 361.486 2.607 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1oc(CCC)nc1C ZINC001038806870 1022717212 /nfs/dbraw/zinc/71/72/12/1022717212.db2.gz CEMUFMQIZMYCOM-BXWFABGCSA-N 1 2 361.486 2.607 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COc3ccc(F)cc3C1)C2 ZINC001095756927 1022743819 /nfs/dbraw/zinc/74/38/19/1022743819.db2.gz HIIUIJJNEFJHMT-ORQFMDKSSA-N 1 2 364.848 2.851 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COc3ccc(F)cc3C1)C2 ZINC001095756927 1022743826 /nfs/dbraw/zinc/74/38/26/1022743826.db2.gz HIIUIJJNEFJHMT-ORQFMDKSSA-N 1 2 364.848 2.851 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ocnc1C ZINC001039593771 1022769941 /nfs/dbraw/zinc/76/99/41/1022769941.db2.gz WGFXDJJKDPGGCL-XDNAFOTISA-N 1 2 359.470 2.530 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ocnc1C ZINC001039593771 1022769944 /nfs/dbraw/zinc/76/99/44/1022769944.db2.gz WGFXDJJKDPGGCL-XDNAFOTISA-N 1 2 359.470 2.530 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1cccc(OC)c1 ZINC001122490895 1023301762 /nfs/dbraw/zinc/30/17/62/1023301762.db2.gz XUDXKHCFBKFONV-UHFFFAOYSA-N 1 2 366.469 2.824 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001122529888 1023322082 /nfs/dbraw/zinc/32/20/82/1023322082.db2.gz QYWSEHPQSPSSPU-RDBSUJKOSA-N 1 2 373.423 2.777 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001122529888 1023322088 /nfs/dbraw/zinc/32/20/88/1023322088.db2.gz QYWSEHPQSPSSPU-RDBSUJKOSA-N 1 2 373.423 2.777 20 30 FFEDLO CCOCCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H]1C ZINC001122608797 1023366174 /nfs/dbraw/zinc/36/61/74/1023366174.db2.gz WWFYRYRLHBZEGV-KRWDZBQOSA-N 1 2 374.533 2.786 20 30 FFEDLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000753833498 1023388141 /nfs/dbraw/zinc/38/81/41/1023388141.db2.gz DABPSUSAUDWVAY-DZGCQCFKSA-N 1 2 350.422 2.723 20 30 FFEDLO C[C@H]1COC(C)(C)C[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000753833498 1023388151 /nfs/dbraw/zinc/38/81/51/1023388151.db2.gz DABPSUSAUDWVAY-DZGCQCFKSA-N 1 2 350.422 2.723 20 30 FFEDLO CN(C)c1cc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)ccn1 ZINC000754264028 1023447185 /nfs/dbraw/zinc/44/71/85/1023447185.db2.gz KOMDZWSLGIVPLA-LJQANCHMSA-N 1 2 353.445 2.669 20 30 FFEDLO C=C(C)c1cccc(NC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC001120971412 1023550229 /nfs/dbraw/zinc/55/02/29/1023550229.db2.gz OMCWOWBCTRIBJD-MRXNPFEDSA-N 1 2 352.438 2.798 20 30 FFEDLO C=CCN(C)c1nnc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)n1Cc1cccs1 ZINC001123041302 1023606806 /nfs/dbraw/zinc/60/68/06/1023606806.db2.gz MSUBTJJGUUPZRY-DOTOQJQBSA-N 1 2 373.526 2.936 20 30 FFEDLO C=CCN(C)c1nnc([C@H]2C[N@H+]3CCCC[C@H]3CO2)n1Cc1cccs1 ZINC001123041302 1023606808 /nfs/dbraw/zinc/60/68/08/1023606808.db2.gz MSUBTJJGUUPZRY-DOTOQJQBSA-N 1 2 373.526 2.936 20 30 FFEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1cccc2ncccc21 ZINC000755650604 1023619850 /nfs/dbraw/zinc/61/98/50/1023619850.db2.gz CMBXWTFNWYQPNS-UHFFFAOYSA-N 1 2 350.426 2.559 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1C[C@@H]1CCOC1 ZINC001123103209 1023635928 /nfs/dbraw/zinc/63/59/28/1023635928.db2.gz WQLZVTKWTZPGBV-FGTMMUONSA-N 1 2 370.501 2.605 20 30 FFEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000756070905 1023664843 /nfs/dbraw/zinc/66/48/43/1023664843.db2.gz GKLGCKATLUHZLE-IRXDYDNUSA-N 1 2 367.453 2.800 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3CCC)[C@H]2C1 ZINC001222780891 1033157106 /nfs/dbraw/zinc/15/71/06/1033157106.db2.gz HCWYBRIMDGXBES-MSOLQXFVSA-N 1 2 359.518 2.776 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3CCC)[C@H]2C1 ZINC001222780891 1033157111 /nfs/dbraw/zinc/15/71/11/1033157111.db2.gz HCWYBRIMDGXBES-MSOLQXFVSA-N 1 2 359.518 2.776 20 30 FFEDLO Cn1c(C[NH+]2CCCCC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 ZINC001121494098 1023808953 /nfs/dbraw/zinc/80/89/53/1023808953.db2.gz BVCMRWPESPVLCC-UHFFFAOYSA-N 1 2 350.470 2.842 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(CCC)Cc1ccc(F)cc1 ZINC001121509004 1023817452 /nfs/dbraw/zinc/81/74/52/1023817452.db2.gz BGLTVMDIMNVSHQ-ROUUACIJSA-N 1 2 373.476 2.757 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(CCC)Cc1ccc(F)cc1 ZINC001121509004 1023817456 /nfs/dbraw/zinc/81/74/56/1023817456.db2.gz BGLTVMDIMNVSHQ-ROUUACIJSA-N 1 2 373.476 2.757 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC001121509875 1023818234 /nfs/dbraw/zinc/81/82/34/1023818234.db2.gz PNTRJTPBIIYJAU-MRXNPFEDSA-N 1 2 371.485 2.972 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC001121509875 1023818241 /nfs/dbraw/zinc/81/82/41/1023818241.db2.gz PNTRJTPBIIYJAU-MRXNPFEDSA-N 1 2 371.485 2.972 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCc2sccc2[C@H]1CC ZINC001121510814 1023818600 /nfs/dbraw/zinc/81/86/00/1023818600.db2.gz UEOCYUBMDHGFFH-IMJJTQAJSA-N 1 2 373.526 2.777 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCc2sccc2[C@H]1CC ZINC001121510814 1023818606 /nfs/dbraw/zinc/81/86/06/1023818606.db2.gz UEOCYUBMDHGFFH-IMJJTQAJSA-N 1 2 373.526 2.777 20 30 FFEDLO C=CCn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1C1(OCC)CCC1 ZINC001121594423 1023870462 /nfs/dbraw/zinc/87/04/62/1023870462.db2.gz YXARYPPZLQBHAD-UHFFFAOYSA-N 1 2 368.485 2.601 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)CC1CCCCC1 ZINC001121635945 1023894769 /nfs/dbraw/zinc/89/47/69/1023894769.db2.gz OYVYWPODBDECMW-UHFFFAOYSA-N 1 2 361.534 2.685 20 30 FFEDLO C=CCn1c(C[C@@H](C)SC)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001121656435 1023907235 /nfs/dbraw/zinc/90/72/35/1023907235.db2.gz RLXKSDVPBHXBLS-CQSZACIVSA-N 1 2 372.542 2.782 20 30 FFEDLO C=CCn1c([C@H](O)C(C)C)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001121659165 1023908605 /nfs/dbraw/zinc/90/86/05/1023908605.db2.gz CSTGHSKNGMTKOL-GOSISDBHSA-N 1 2 373.476 2.615 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000829491757 1033183143 /nfs/dbraw/zinc/18/31/43/1033183143.db2.gz OEBZWSRWADLAGZ-HNNXBMFYSA-N 1 2 366.371 2.778 20 30 FFEDLO C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC[N@@H+]2C)n1CCc1ccccc1 ZINC001122189623 1024417896 /nfs/dbraw/zinc/41/78/96/1024417896.db2.gz JUHOGDWAEZLBTP-WMZOPIPTSA-N 1 2 352.486 2.883 20 30 FFEDLO C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC[N@H+]2C)n1CCc1ccccc1 ZINC001122189623 1024417905 /nfs/dbraw/zinc/41/79/05/1024417905.db2.gz JUHOGDWAEZLBTP-WMZOPIPTSA-N 1 2 352.486 2.883 20 30 FFEDLO CCC[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000759422004 1024603720 /nfs/dbraw/zinc/60/37/20/1024603720.db2.gz QMERZGWXONKUHF-CVEARBPZSA-N 1 2 350.422 2.725 20 30 FFEDLO CCC[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000759422004 1024603726 /nfs/dbraw/zinc/60/37/26/1024603726.db2.gz QMERZGWXONKUHF-CVEARBPZSA-N 1 2 350.422 2.725 20 30 FFEDLO C=CC[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3cnon3)C[C@@]2(C)C1)c1ccccc1 ZINC001101469303 1024821866 /nfs/dbraw/zinc/82/18/66/1024821866.db2.gz KNURBDKEIKSTTD-QFUCXCTJSA-N 1 2 366.465 2.710 20 30 FFEDLO C=CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3cnon3)C[C@@]2(C)C1)c1ccccc1 ZINC001101469303 1024821883 /nfs/dbraw/zinc/82/18/83/1024821883.db2.gz KNURBDKEIKSTTD-QFUCXCTJSA-N 1 2 366.465 2.710 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nncn4C)C[C@@]3(C)C2)CCCCC1 ZINC001101470447 1024823834 /nfs/dbraw/zinc/82/38/34/1024823834.db2.gz QONWSEDWAIEXPL-XLIONFOSSA-N 1 2 371.529 2.622 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nncn4C)C[C@@]3(C)C2)CCCCC1 ZINC001101470447 1024823849 /nfs/dbraw/zinc/82/38/49/1024823849.db2.gz QONWSEDWAIEXPL-XLIONFOSSA-N 1 2 371.529 2.622 20 30 FFEDLO C=CCC(CC=C)C(=O)NC[C@@H]1C[N@@H+](Cc2nc(C3CC3)nn2C)C[C@H]1C ZINC001101997905 1025267809 /nfs/dbraw/zinc/26/78/09/1025267809.db2.gz MFVNVKXXLZPVOF-CRAIPNDOSA-N 1 2 371.529 2.645 20 30 FFEDLO C=CCC(CC=C)C(=O)NC[C@@H]1C[N@H+](Cc2nc(C3CC3)nn2C)C[C@H]1C ZINC001101997905 1025267820 /nfs/dbraw/zinc/26/78/20/1025267820.db2.gz MFVNVKXXLZPVOF-CRAIPNDOSA-N 1 2 371.529 2.645 20 30 FFEDLO C#CC[N@@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)Cc1ccccc1 ZINC000796639977 1025371999 /nfs/dbraw/zinc/37/19/99/1025371999.db2.gz RHDXGBSRJHTAFX-OAQYLSRUSA-N 1 2 361.489 2.765 20 30 FFEDLO C#CC[N@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)Cc1ccccc1 ZINC000796639977 1025372014 /nfs/dbraw/zinc/37/20/14/1025372014.db2.gz RHDXGBSRJHTAFX-OAQYLSRUSA-N 1 2 361.489 2.765 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(F)cc4c3OCOC4)CC2)c1 ZINC001141400056 1026173797 /nfs/dbraw/zinc/17/37/97/1026173797.db2.gz KBVQYVDLFUORQQ-UHFFFAOYSA-N 1 2 353.397 2.886 20 30 FFEDLO Cc1ccn(C[N@@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)c(=O)c1C#N ZINC000840185005 1027002122 /nfs/dbraw/zinc/00/21/22/1027002122.db2.gz NQWOLNFFHSVRRH-MRXNPFEDSA-N 1 2 359.470 2.820 20 30 FFEDLO Cc1ccn(C[N@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)c(=O)c1C#N ZINC000840185005 1027002131 /nfs/dbraw/zinc/00/21/31/1027002131.db2.gz NQWOLNFFHSVRRH-MRXNPFEDSA-N 1 2 359.470 2.820 20 30 FFEDLO Cc1cc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)nc(C#N)n1 ZINC001158547642 1027057839 /nfs/dbraw/zinc/05/78/39/1027057839.db2.gz XIEKOMBIAIYXJH-OAHLLOKOSA-N 1 2 361.371 2.910 20 30 FFEDLO Cc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)nc(C#N)n1 ZINC001158547642 1027057845 /nfs/dbraw/zinc/05/78/45/1027057845.db2.gz XIEKOMBIAIYXJH-OAHLLOKOSA-N 1 2 361.371 2.910 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@@H+](CN2Cc3ccc(F)cc3C2=O)CC1 ZINC000092880808 1027491403 /nfs/dbraw/zinc/49/14/03/1027491403.db2.gz HKXJNMDNGKZMHL-UHFFFAOYSA-N 1 2 364.424 2.823 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@H+](CN2Cc3ccc(F)cc3C2=O)CC1 ZINC000092880808 1027491405 /nfs/dbraw/zinc/49/14/05/1027491405.db2.gz HKXJNMDNGKZMHL-UHFFFAOYSA-N 1 2 364.424 2.823 20 30 FFEDLO Cc1ccc(S(=O)(=O)n2ccc3c2nc[nH+]c3NCCCS)cc1 ZINC001159869727 1027523696 /nfs/dbraw/zinc/52/36/96/1027523696.db2.gz CCUHKDKEQBAEQA-UHFFFAOYSA-N 1 2 362.480 2.709 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000642523393 1027654073 /nfs/dbraw/zinc/65/40/73/1027654073.db2.gz FIGTWJQHQBJJSI-INIZCTEOSA-N 1 2 369.490 2.990 20 30 FFEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNc1cccc[nH+]1 ZINC001160478379 1027725475 /nfs/dbraw/zinc/72/54/75/1027725475.db2.gz BNVGCEUTCDOEBS-HNNXBMFYSA-N 1 2 362.474 2.859 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C)s1 ZINC001153441841 1027882734 /nfs/dbraw/zinc/88/27/34/1027882734.db2.gz NBTMNGHKOJBOEN-BMFZPTHFSA-N 1 2 351.516 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C)s1 ZINC001153441841 1027882754 /nfs/dbraw/zinc/88/27/54/1027882754.db2.gz NBTMNGHKOJBOEN-BMFZPTHFSA-N 1 2 351.516 2.759 20 30 FFEDLO Cn1cc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)c(-c2ccc(C#N)cc2)n1 ZINC001154063901 1028131686 /nfs/dbraw/zinc/13/16/86/1028131686.db2.gz ZZJTXQRSWREKFO-UHFFFAOYSA-N 1 2 356.389 2.765 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)c2ccc(OC)cc2)c1 ZINC000795867104 1028219053 /nfs/dbraw/zinc/21/90/53/1028219053.db2.gz JRXAQBZVULVLIL-UHFFFAOYSA-N 1 2 350.418 2.820 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)c2ccc(OC)cc2)c1 ZINC000795867104 1028219071 /nfs/dbraw/zinc/21/90/71/1028219071.db2.gz JRXAQBZVULVLIL-UHFFFAOYSA-N 1 2 350.418 2.820 20 30 FFEDLO C=CCOC(=O)[C@H](CC(=O)OC(C)(C)C)Nc1cc(-n2ccnc2)cc[nH+]1 ZINC001161865660 1028337128 /nfs/dbraw/zinc/33/71/28/1028337128.db2.gz VWLQOUQZQYXHIJ-HNNXBMFYSA-N 1 2 372.425 2.509 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2noc3cc(Br)ccc32)CC1 ZINC001154898988 1028501919 /nfs/dbraw/zinc/50/19/19/1028501919.db2.gz HRKSVBTWKFWPSS-UHFFFAOYSA-N 1 2 350.216 2.534 20 30 FFEDLO N#Cc1c(F)cc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1F ZINC001155209445 1028626437 /nfs/dbraw/zinc/62/64/37/1028626437.db2.gz HZXPREXXTQRHTE-UHFFFAOYSA-N 1 2 366.371 2.940 20 30 FFEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCCN(C(=O)Cc4ccccc4)CC3)c12 ZINC001156080541 1029038843 /nfs/dbraw/zinc/03/88/43/1029038843.db2.gz IPINIICBFAYXRW-UHFFFAOYSA-N 1 2 359.433 2.716 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnn(-c3ccccc3)n1)C2 ZINC001111648606 1029043049 /nfs/dbraw/zinc/04/30/49/1029043049.db2.gz GNUZUWLNIPMSJL-UWJYYQICSA-N 1 2 365.481 2.704 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnn(-c3ccccc3)n1)C2 ZINC001111648606 1029043066 /nfs/dbraw/zinc/04/30/66/1029043066.db2.gz GNUZUWLNIPMSJL-UWJYYQICSA-N 1 2 365.481 2.704 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C3CC3)n1C1CC1)C2 ZINC001111650086 1029047985 /nfs/dbraw/zinc/04/79/85/1029047985.db2.gz DVSJYLSCJZYMGE-KKSFZXQISA-N 1 2 369.513 2.927 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C3CC3)n1C1CC1)C2 ZINC001111650086 1029047993 /nfs/dbraw/zinc/04/79/93/1029047993.db2.gz DVSJYLSCJZYMGE-KKSFZXQISA-N 1 2 369.513 2.927 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1c1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001156331859 1029150085 /nfs/dbraw/zinc/15/00/85/1029150085.db2.gz AUFHAITXPOVXSN-HNNXBMFYSA-N 1 2 353.857 2.978 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C(C)(C)C)o1)C2 ZINC001111729750 1029256765 /nfs/dbraw/zinc/25/67/65/1029256765.db2.gz CFLXCZKTAWXDBK-YWZLYKJASA-N 1 2 358.486 2.641 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C(C)(C)C)o1)C2 ZINC001111729750 1029256774 /nfs/dbraw/zinc/25/67/74/1029256774.db2.gz CFLXCZKTAWXDBK-YWZLYKJASA-N 1 2 358.486 2.641 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001164652154 1029349568 /nfs/dbraw/zinc/34/95/68/1029349568.db2.gz OOOOESXWPIEPHG-SECBINFHSA-N 1 2 358.179 2.783 20 30 FFEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C(F)C(F)(F)F)C2)c1 ZINC001111756455 1029351669 /nfs/dbraw/zinc/35/16/69/1029351669.db2.gz PFSJFAMZMSGGNU-UXLLHSPISA-N 1 2 369.362 2.929 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C(F)C(F)(F)F)C2)c1 ZINC001111756455 1029351677 /nfs/dbraw/zinc/35/16/77/1029351677.db2.gz PFSJFAMZMSGGNU-UXLLHSPISA-N 1 2 369.362 2.929 20 30 FFEDLO COCCO[C@H]1CC[N@H+](CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C1 ZINC000781963607 1029496658 /nfs/dbraw/zinc/49/66/58/1029496658.db2.gz LZVVCSUIQSOGEV-NNIWKIFQSA-N 1 2 358.482 2.604 20 30 FFEDLO COCCO[C@H]1CC[N@@H+](CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C1 ZINC000781963607 1029496663 /nfs/dbraw/zinc/49/66/63/1029496663.db2.gz LZVVCSUIQSOGEV-NNIWKIFQSA-N 1 2 358.482 2.604 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1CCC)C2 ZINC001111848822 1029612593 /nfs/dbraw/zinc/61/25/93/1029612593.db2.gz VBLTVAONEFDGKO-ZWOKBUDYSA-N 1 2 359.518 2.761 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1CCC)C2 ZINC001111848822 1029612596 /nfs/dbraw/zinc/61/25/96/1029612596.db2.gz VBLTVAONEFDGKO-ZWOKBUDYSA-N 1 2 359.518 2.761 20 30 FFEDLO C#CCC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3cc(C)no3)C2)CCC1 ZINC001112114343 1030036980 /nfs/dbraw/zinc/03/69/80/1030036980.db2.gz MTLOMTUJTYSYKN-HUUCEWRRSA-N 1 2 369.387 2.656 20 30 FFEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1c1nccc(Cl)c1C#N ZINC001165651770 1030067210 /nfs/dbraw/zinc/06/72/10/1030067210.db2.gz DSSFUUIMVWFUDZ-MRXNPFEDSA-N 1 2 372.860 2.624 20 30 FFEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1c1ncc(Cl)cc1C#N ZINC001165653303 1030070140 /nfs/dbraw/zinc/07/01/40/1030070140.db2.gz QRIDARZUKYBISI-MRXNPFEDSA-N 1 2 372.860 2.624 20 30 FFEDLO CC(C)(C)OC1CC(ON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000842024609 1030582035 /nfs/dbraw/zinc/58/20/35/1030582035.db2.gz ORBLHCOPJXZQFA-UHFFFAOYSA-N 1 2 361.486 2.502 20 30 FFEDLO CC(C)(C)OC(=O)NCc1cncc([NH+]=C(NO)c2ccccc2N)c1 ZINC001203604181 1030782376 /nfs/dbraw/zinc/78/23/76/1030782376.db2.gz YNDBZKIRXOIOFP-UHFFFAOYSA-N 1 2 357.414 2.746 20 30 FFEDLO COc1c(C)c[nH+]c(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)c1C ZINC000798416006 1031401919 /nfs/dbraw/zinc/40/19/19/1031401919.db2.gz LLGJWGZPIISRQH-UHFFFAOYSA-N 1 2 361.405 2.694 20 30 FFEDLO C=CCCC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1O ZINC001205102716 1031525775 /nfs/dbraw/zinc/52/57/75/1031525775.db2.gz ANDSUSZWHMQVBD-WOJBJXKFSA-N 1 2 369.465 2.523 20 30 FFEDLO C=CCCC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1O ZINC001205102716 1031525786 /nfs/dbraw/zinc/52/57/86/1031525786.db2.gz ANDSUSZWHMQVBD-WOJBJXKFSA-N 1 2 369.465 2.523 20 30 FFEDLO CC#CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1c1ccccc1F ZINC001205614835 1031874532 /nfs/dbraw/zinc/87/45/32/1031874532.db2.gz LJXMKUPMQANWGW-NWANDNLSSA-N 1 2 360.326 2.633 20 30 FFEDLO CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1c1ccccc1F ZINC001205614835 1031874546 /nfs/dbraw/zinc/87/45/46/1031874546.db2.gz LJXMKUPMQANWGW-NWANDNLSSA-N 1 2 360.326 2.633 20 30 FFEDLO COc1cc(OS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)ccc1C#N ZINC000799820705 1031904938 /nfs/dbraw/zinc/90/49/38/1031904938.db2.gz SKJYHIGQPJAGBR-UHFFFAOYSA-N 1 2 369.402 2.579 20 30 FFEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)CCO1 ZINC001137900306 1033316718 /nfs/dbraw/zinc/31/67/18/1033316718.db2.gz ZGCOCZDLQHEMHH-HXUWFJFHSA-N 1 2 365.433 2.700 20 30 FFEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)CCO1 ZINC001137900306 1033316734 /nfs/dbraw/zinc/31/67/34/1033316734.db2.gz ZGCOCZDLQHEMHH-HXUWFJFHSA-N 1 2 365.433 2.700 20 30 FFEDLO CCC[C@@H](CC)C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218852299 1033377624 /nfs/dbraw/zinc/37/76/24/1033377624.db2.gz YCFCZQNFSIXGTF-QHAWAJNXSA-N 1 2 354.494 2.776 20 30 FFEDLO CCC[C@@H](CC)C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218852299 1033377634 /nfs/dbraw/zinc/37/76/34/1033377634.db2.gz YCFCZQNFSIXGTF-QHAWAJNXSA-N 1 2 354.494 2.776 20 30 FFEDLO C#CCN1C(=O)COCC12C[NH+](Cc1cc(-c3ccsc3)cs1)C2 ZINC001276905859 1033521035 /nfs/dbraw/zinc/52/10/35/1033521035.db2.gz AWBUIPJDOLZZEB-UHFFFAOYSA-N 1 2 358.488 2.523 20 30 FFEDLO C[C@@]1(C(=O)Nc2ccc(Cl)cc2C#C[Si](C)(C)C)COCC[NH2+]1 ZINC001219482704 1033665410 /nfs/dbraw/zinc/66/54/10/1033665410.db2.gz IPIVPYGNPDWGPW-KRWDZBQOSA-N 1 2 350.922 2.886 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@@H]1O ZINC001219523802 1033674482 /nfs/dbraw/zinc/67/44/82/1033674482.db2.gz OPZUGEDHLZIIFR-VUCTXSBTSA-N 1 2 352.837 2.505 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@@H]1O ZINC001219523802 1033674491 /nfs/dbraw/zinc/67/44/91/1033674491.db2.gz OPZUGEDHLZIIFR-VUCTXSBTSA-N 1 2 352.837 2.505 20 30 FFEDLO N#CCC[N@H+]1CCC[C@@]2(CCN(CC(=O)c3ccc(F)cc3)C2=O)CC1 ZINC001276949838 1033733768 /nfs/dbraw/zinc/73/37/68/1033733768.db2.gz XKICRLZFRWIGDX-FQEVSTJZSA-N 1 2 357.429 2.627 20 30 FFEDLO N#CCC[N@@H+]1CCC[C@@]2(CCN(CC(=O)c3ccc(F)cc3)C2=O)CC1 ZINC001276949838 1033733782 /nfs/dbraw/zinc/73/37/82/1033733782.db2.gz XKICRLZFRWIGDX-FQEVSTJZSA-N 1 2 357.429 2.627 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)Nc1cc(CC#N)ccn1)c1ccccc1 ZINC001219701415 1033769152 /nfs/dbraw/zinc/76/91/52/1033769152.db2.gz NRLOJBYEWVGEJB-QGZVFWFLSA-N 1 2 360.421 2.987 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3csc(C#N)c3)C2)c1 ZINC001535553275 1069834871 /nfs/dbraw/zinc/83/48/71/1069834871.db2.gz QFXHNVBZSUNYLB-KRWDZBQOSA-N 1 2 355.463 2.559 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3csc(C#N)c3)C2)c1 ZINC001535553275 1069834903 /nfs/dbraw/zinc/83/49/03/1069834903.db2.gz QFXHNVBZSUNYLB-KRWDZBQOSA-N 1 2 355.463 2.559 20 30 FFEDLO COCCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C#N)cc2Cl)C1=O ZINC001277030917 1034194589 /nfs/dbraw/zinc/19/45/89/1034194589.db2.gz NIQZXZBGTHTGJM-IBGZPJMESA-N 1 2 361.873 2.815 20 30 FFEDLO COCCCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C#N)cc2Cl)C1=O ZINC001277030917 1034194600 /nfs/dbraw/zinc/19/46/00/1034194600.db2.gz NIQZXZBGTHTGJM-IBGZPJMESA-N 1 2 361.873 2.815 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+]([C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000831690645 1034211625 /nfs/dbraw/zinc/21/16/25/1034211625.db2.gz BKPOGSRQVLDVIH-KRWDZBQOSA-N 1 2 371.481 2.591 20 30 FFEDLO Cc1cc(=O)c(C#N)c(O[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[nH]1 ZINC001225470644 1034268120 /nfs/dbraw/zinc/26/81/20/1034268120.db2.gz XWIVSLVGUMUDRB-BEFAXECRSA-N 1 2 353.422 2.636 20 30 FFEDLO Cc1cc(=O)c(C#N)c(O[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[nH]1 ZINC001225470644 1034268136 /nfs/dbraw/zinc/26/81/36/1034268136.db2.gz XWIVSLVGUMUDRB-BEFAXECRSA-N 1 2 353.422 2.636 20 30 FFEDLO CCC[C@@H](CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001220632030 1034307867 /nfs/dbraw/zinc/30/78/67/1034307867.db2.gz YMAXTZJEPJSRTN-QRQLOZEOSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC[C@@H](CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001220632030 1034307871 /nfs/dbraw/zinc/30/78/71/1034307871.db2.gz YMAXTZJEPJSRTN-QRQLOZEOSA-N 1 2 362.901 2.679 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3noc4cc(Br)ccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226314179 1034626590 /nfs/dbraw/zinc/62/65/90/1034626590.db2.gz NCOKBJLPIMMJNU-LSVRBPJHSA-N 1 2 351.200 2.582 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3noc4cc(Br)ccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226314179 1034626593 /nfs/dbraw/zinc/62/65/93/1034626593.db2.gz NCOKBJLPIMMJNU-LSVRBPJHSA-N 1 2 351.200 2.582 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3ccnn3[C@H]3CCCCO3)CC2)c1 ZINC001138789954 1034664756 /nfs/dbraw/zinc/66/47/56/1034664756.db2.gz UJAAPFXYIQEZHF-HXUWFJFHSA-N 1 2 351.454 2.776 20 30 FFEDLO CCSCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221324356 1034677484 /nfs/dbraw/zinc/67/74/84/1034677484.db2.gz XYXOSNSUDLNJDE-SJLPKXTDSA-N 1 2 361.486 2.873 20 30 FFEDLO CCSCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221324356 1034677488 /nfs/dbraw/zinc/67/74/88/1034677488.db2.gz XYXOSNSUDLNJDE-SJLPKXTDSA-N 1 2 361.486 2.873 20 30 FFEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(F)ccc(O)c1F)CC2 ZINC001277131038 1034704970 /nfs/dbraw/zinc/70/49/70/1034704970.db2.gz TZJIJOHERWUYJI-AWEZNQCLSA-N 1 2 363.408 2.692 20 30 FFEDLO C=C(C)C(=O)OC[C@@H](C)Oc1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001226558820 1034733600 /nfs/dbraw/zinc/73/36/00/1034733600.db2.gz HDBRDEYLFORYJK-MRXNPFEDSA-N 1 2 367.449 2.922 20 30 FFEDLO C=C(C)C(=O)OC[C@@H](C)Oc1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001226558820 1034733610 /nfs/dbraw/zinc/73/36/10/1034733610.db2.gz HDBRDEYLFORYJK-MRXNPFEDSA-N 1 2 367.449 2.922 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221422149 1034736742 /nfs/dbraw/zinc/73/67/42/1034736742.db2.gz RUPOANIXCZMZKJ-XAUMDUMWSA-N 1 2 371.456 2.711 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221422149 1034736754 /nfs/dbraw/zinc/73/67/54/1034736754.db2.gz RUPOANIXCZMZKJ-XAUMDUMWSA-N 1 2 371.456 2.711 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C4CC4)no3)C[C@H]21 ZINC001221423659 1034739793 /nfs/dbraw/zinc/73/97/93/1034739793.db2.gz NLNWVVUGNVKBFD-IDHHARJASA-N 1 2 359.470 2.566 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C4CC4)no3)C[C@H]21 ZINC001221423659 1034739807 /nfs/dbraw/zinc/73/98/07/1034739807.db2.gz NLNWVVUGNVKBFD-IDHHARJASA-N 1 2 359.470 2.566 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](Cc3nc(-c4ccc(F)cc4)no3)C[C@H]21 ZINC001221428948 1034749395 /nfs/dbraw/zinc/74/93/95/1034749395.db2.gz ANTMKOPBASOTND-NVXWUHKLSA-N 1 2 370.428 2.875 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](Cc3nc(-c4ccc(F)cc4)no3)C[C@H]21 ZINC001221428948 1034749410 /nfs/dbraw/zinc/74/94/10/1034749410.db2.gz ANTMKOPBASOTND-NVXWUHKLSA-N 1 2 370.428 2.875 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)cc3)C[C@H]21 ZINC001221430982 1034750579 /nfs/dbraw/zinc/75/05/79/1034750579.db2.gz VYULJFSBMFYIFG-RHSMWYFYSA-N 1 2 361.873 2.777 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)cc3)C[C@H]21 ZINC001221430982 1034750594 /nfs/dbraw/zinc/75/05/94/1034750594.db2.gz VYULJFSBMFYIFG-RHSMWYFYSA-N 1 2 361.873 2.777 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[N@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001221518168 1034837500 /nfs/dbraw/zinc/83/75/00/1034837500.db2.gz VTJVWXBDRVMLBJ-XVSDVWIESA-N 1 2 366.864 2.839 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[N@@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001221518168 1034837511 /nfs/dbraw/zinc/83/75/11/1034837511.db2.gz VTJVWXBDRVMLBJ-XVSDVWIESA-N 1 2 366.864 2.839 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001221539151 1034857107 /nfs/dbraw/zinc/85/71/07/1034857107.db2.gz OOKMMOVVDDDZGS-HBUWYVDXSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001221539151 1034857120 /nfs/dbraw/zinc/85/71/20/1034857120.db2.gz OOKMMOVVDDDZGS-HBUWYVDXSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)c3c(F)cccc3F)C[C@H]21 ZINC001221542683 1034860687 /nfs/dbraw/zinc/86/06/87/1034860687.db2.gz REKCLYUKRSZNKG-HDMKZQKVSA-N 1 2 362.420 2.598 20 30 FFEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)c3c(F)cccc3F)C[C@H]21 ZINC001221542683 1034860701 /nfs/dbraw/zinc/86/07/01/1034860701.db2.gz REKCLYUKRSZNKG-HDMKZQKVSA-N 1 2 362.420 2.598 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccc(OC)cc3)C[C@H]21 ZINC001221583235 1034895341 /nfs/dbraw/zinc/89/53/41/1034895341.db2.gz GWGRUHXBZFFIMP-VQIMIIECSA-N 1 2 371.481 2.523 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccc(OC)cc3)C[C@H]21 ZINC001221583235 1034895344 /nfs/dbraw/zinc/89/53/44/1034895344.db2.gz GWGRUHXBZFFIMP-VQIMIIECSA-N 1 2 371.481 2.523 20 30 FFEDLO COCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)CCC1 ZINC001221698771 1034994446 /nfs/dbraw/zinc/99/44/46/1034994446.db2.gz USXYWDGWKHTFJN-VQIMIIECSA-N 1 2 371.456 2.547 20 30 FFEDLO COCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)CCC1 ZINC001221698771 1034994449 /nfs/dbraw/zinc/99/44/49/1034994449.db2.gz USXYWDGWKHTFJN-VQIMIIECSA-N 1 2 371.456 2.547 20 30 FFEDLO CCC[C@@H](OC)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221733656 1035024483 /nfs/dbraw/zinc/02/44/83/1035024483.db2.gz WWVWEHBNAOYYTJ-MISYRCLQSA-N 1 2 358.457 2.525 20 30 FFEDLO CCC[C@@H](OC)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221733656 1035024488 /nfs/dbraw/zinc/02/44/88/1035024488.db2.gz WWVWEHBNAOYYTJ-MISYRCLQSA-N 1 2 358.457 2.525 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)c3ccccc3)C[C@H]21 ZINC001221760497 1035045073 /nfs/dbraw/zinc/04/50/73/1035045073.db2.gz HMGRJTLBXLOELK-QWFCFKBJSA-N 1 2 369.509 2.784 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)c3ccccc3)C[C@H]21 ZINC001221760497 1035045080 /nfs/dbraw/zinc/04/50/80/1035045080.db2.gz HMGRJTLBXLOELK-QWFCFKBJSA-N 1 2 369.509 2.784 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[N@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001221761853 1035046179 /nfs/dbraw/zinc/04/61/79/1035046179.db2.gz FZSHIESZWMQARR-SQWLQELKSA-N 1 2 366.456 2.993 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[N@@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001221761853 1035046187 /nfs/dbraw/zinc/04/61/87/1035046187.db2.gz FZSHIESZWMQARR-SQWLQELKSA-N 1 2 366.456 2.993 20 30 FFEDLO COC(=O)c1ccccc1N1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC001139649574 1035190527 /nfs/dbraw/zinc/19/05/27/1035190527.db2.gz PHDNDOZCRBNCDK-UHFFFAOYSA-N 1 2 353.397 2.806 20 30 FFEDLO N#Cc1cccc2c(C[N@@H+]3CCc4onc(Cn5cccn5)c4C3)c[nH]c21 ZINC001139702699 1035201666 /nfs/dbraw/zinc/20/16/66/1035201666.db2.gz FKDKFXSNJPOUII-UHFFFAOYSA-N 1 2 358.405 2.831 20 30 FFEDLO N#Cc1cccc2c(C[N@H+]3CCc4onc(Cn5cccn5)c4C3)c[nH]c21 ZINC001139702699 1035201667 /nfs/dbraw/zinc/20/16/67/1035201667.db2.gz FKDKFXSNJPOUII-UHFFFAOYSA-N 1 2 358.405 2.831 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H](C1)O2 ZINC001140136125 1035353993 /nfs/dbraw/zinc/35/39/93/1035353993.db2.gz LAKZQZGGGXECOG-IYBDPMFKSA-N 1 2 361.417 2.517 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H](C1)O2 ZINC001140136125 1035353998 /nfs/dbraw/zinc/35/39/98/1035353998.db2.gz LAKZQZGGGXECOG-IYBDPMFKSA-N 1 2 361.417 2.517 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1n[nH]c3ccc(C)cc31)CC2 ZINC001140327422 1035437151 /nfs/dbraw/zinc/43/71/51/1035437151.db2.gz WNYWJTWZDQOYEU-UHFFFAOYSA-N 1 2 351.454 2.866 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1n[nH]c3ccc(C)cc31)CC2 ZINC001140327422 1035437153 /nfs/dbraw/zinc/43/71/53/1035437153.db2.gz WNYWJTWZDQOYEU-UHFFFAOYSA-N 1 2 351.454 2.866 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1[nH]nc3ccc(C)cc31)CC2 ZINC001140327422 1035437157 /nfs/dbraw/zinc/43/71/57/1035437157.db2.gz WNYWJTWZDQOYEU-UHFFFAOYSA-N 1 2 351.454 2.866 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1[nH]nc3ccc(C)cc31)CC2 ZINC001140327422 1035437165 /nfs/dbraw/zinc/43/71/65/1035437165.db2.gz WNYWJTWZDQOYEU-UHFFFAOYSA-N 1 2 351.454 2.866 20 30 FFEDLO CO[C@H](C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)Cc1ccccc1 ZINC000834856089 1035464784 /nfs/dbraw/zinc/46/47/84/1035464784.db2.gz KQQWNUCKSMAOAA-FGTMMUONSA-N 1 2 359.470 2.593 20 30 FFEDLO CN(C)C(=O)C[N@H+](C)Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12 ZINC001140440047 1035478202 /nfs/dbraw/zinc/47/82/02/1035478202.db2.gz VTEJNFUMBSLQIX-UHFFFAOYSA-N 1 2 370.453 2.816 20 30 FFEDLO CN(C)C(=O)C[N@@H+](C)Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12 ZINC001140440047 1035478205 /nfs/dbraw/zinc/47/82/05/1035478205.db2.gz VTEJNFUMBSLQIX-UHFFFAOYSA-N 1 2 370.453 2.816 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)cn1 ZINC001140547166 1035609251 /nfs/dbraw/zinc/60/92/51/1035609251.db2.gz KNEVQBLJUCPXBK-MRXNPFEDSA-N 1 2 350.397 2.713 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)cn1 ZINC001140547166 1035609259 /nfs/dbraw/zinc/60/92/59/1035609259.db2.gz KNEVQBLJUCPXBK-MRXNPFEDSA-N 1 2 350.397 2.713 20 30 FFEDLO N#Cc1ccc(Cl)c(C[NH+]2CCC(N3CCCCS3(=O)=O)CC2)c1 ZINC001140603765 1035710805 /nfs/dbraw/zinc/71/08/05/1035710805.db2.gz BOIMMUPHGJUUTP-UHFFFAOYSA-N 1 2 367.902 2.602 20 30 FFEDLO N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2ncccc2C(F)(F)F)C1=O ZINC001277253670 1035814938 /nfs/dbraw/zinc/81/49/38/1035814938.db2.gz FPLJIRSUMXVKQQ-KRWDZBQOSA-N 1 2 366.387 2.971 20 30 FFEDLO N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2ncccc2C(F)(F)F)C1=O ZINC001277253670 1035814952 /nfs/dbraw/zinc/81/49/52/1035814952.db2.gz FPLJIRSUMXVKQQ-KRWDZBQOSA-N 1 2 366.387 2.971 20 30 FFEDLO COc1ccc(OC)c(CN2CC[NH+](Cc3cc(C#N)ccc3O)CC2)c1 ZINC001232676623 1035931774 /nfs/dbraw/zinc/93/17/74/1035931774.db2.gz OOVFOCZKXFZWIE-UHFFFAOYSA-N 1 2 367.449 2.599 20 30 FFEDLO COc1ccccc1C(=O)NC1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232680530 1035939574 /nfs/dbraw/zinc/93/95/74/1035939574.db2.gz DOMAJWWFFYQLTN-UHFFFAOYSA-N 1 2 365.433 2.667 20 30 FFEDLO N#Cc1ccc(F)cc1C[NH+]1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1 ZINC001232891022 1036132265 /nfs/dbraw/zinc/13/22/65/1036132265.db2.gz VHDNZQPZUYJBSS-LJQANCHMSA-N 1 2 364.424 2.731 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)c(C#N)c1 ZINC001232964769 1036191996 /nfs/dbraw/zinc/19/19/96/1036191996.db2.gz AHCDBQPEOVIDFK-SFTDATJTSA-N 1 2 366.465 2.513 20 30 FFEDLO Cc1ccc(C[N@H+]2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)c(C#N)c1 ZINC001232964769 1036192001 /nfs/dbraw/zinc/19/20/01/1036192001.db2.gz AHCDBQPEOVIDFK-SFTDATJTSA-N 1 2 366.465 2.513 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(C(=O)c2sccc2Cl)C3)cc1C#N ZINC001277742161 1036197524 /nfs/dbraw/zinc/19/75/24/1036197524.db2.gz UMSBVUHGXSHVPU-HIFRSBDPSA-N 1 2 374.897 2.958 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(C(=O)c2sccc2Cl)C3)cc1C#N ZINC001277742161 1036197533 /nfs/dbraw/zinc/19/75/33/1036197533.db2.gz UMSBVUHGXSHVPU-HIFRSBDPSA-N 1 2 374.897 2.958 20 30 FFEDLO Cc1cc[nH+]c(N2CCN(Cc3ccc(N(C)C)c(C#N)c3F)CC2)c1 ZINC001233101108 1036346941 /nfs/dbraw/zinc/34/69/41/1036346941.db2.gz QZDNQKJIRSYYTD-UHFFFAOYSA-N 1 2 353.445 2.789 20 30 FFEDLO C=CCSc1ncccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]c1 ZINC001277380530 1036636595 /nfs/dbraw/zinc/63/65/95/1036636595.db2.gz KRZMNAMFKYMBAB-IYBDPMFKSA-N 1 2 369.494 2.572 20 30 FFEDLO C=CCSc1ncccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]c1 ZINC001277380530 1036636601 /nfs/dbraw/zinc/63/66/01/1036636601.db2.gz KRZMNAMFKYMBAB-IYBDPMFKSA-N 1 2 369.494 2.572 20 30 FFEDLO N#CCCCN1CCC2(CC[NH+](Cc3c(Cl)ccnc3F)CC2)C1=O ZINC001277820549 1036841382 /nfs/dbraw/zinc/84/13/82/1036841382.db2.gz CFBLXRRDEYKYHF-UHFFFAOYSA-N 1 2 364.852 2.992 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(Cl)ccnc1F ZINC001277822184 1036850267 /nfs/dbraw/zinc/85/02/67/1036850267.db2.gz QWIDIEQKIWTJSF-HUUCEWRRSA-N 1 2 350.825 2.743 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(Cl)ccnc1F ZINC001277822184 1036850277 /nfs/dbraw/zinc/85/02/77/1036850277.db2.gz QWIDIEQKIWTJSF-HUUCEWRRSA-N 1 2 350.825 2.743 20 30 FFEDLO COC(=O)C[C@@H](C)Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229765208 1036881801 /nfs/dbraw/zinc/88/18/01/1036881801.db2.gz CCDXRIFQAOUCQB-GFCCVEGCSA-N 1 2 350.378 2.907 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(-c3cccs3)on2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206953253 1036977611 /nfs/dbraw/zinc/97/76/11/1036977611.db2.gz ZCUADVYVLYUKLN-CZUORRHYSA-N 1 2 355.463 2.753 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(-c3cccs3)on2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206953253 1036977623 /nfs/dbraw/zinc/97/76/23/1036977623.db2.gz ZCUADVYVLYUKLN-CZUORRHYSA-N 1 2 355.463 2.753 20 30 FFEDLO CC(=O)c1cc(O)c(O)cc1O[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001234476202 1037052871 /nfs/dbraw/zinc/05/28/71/1037052871.db2.gz LPNNMSQPFNVWPN-INIZCTEOSA-N 1 2 352.390 2.825 20 30 FFEDLO CC(=O)c1cc(O)c(O)cc1O[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001234476202 1037052890 /nfs/dbraw/zinc/05/28/90/1037052890.db2.gz LPNNMSQPFNVWPN-INIZCTEOSA-N 1 2 352.390 2.825 20 30 FFEDLO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ncccc3F)CC2)cc1 ZINC001207036614 1037086109 /nfs/dbraw/zinc/08/61/09/1037086109.db2.gz SGKLUENTUHJJQN-UHFFFAOYSA-N 1 2 353.401 2.878 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001207157964 1037204791 /nfs/dbraw/zinc/20/47/91/1037204791.db2.gz BXAFLJPLRKVFEN-SJLPKXTDSA-N 1 2 357.498 2.972 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001207157964 1037204809 /nfs/dbraw/zinc/20/48/09/1037204809.db2.gz BXAFLJPLRKVFEN-SJLPKXTDSA-N 1 2 357.498 2.972 20 30 FFEDLO C=CCN(CC[NH+]1CCN(c2nccs2)CC1)C(=O)OC(C)(C)C ZINC001207198519 1037237212 /nfs/dbraw/zinc/23/72/12/1037237212.db2.gz FTQZRQLIBOIOTL-UHFFFAOYSA-N 1 2 352.504 2.688 20 30 FFEDLO C=CCN(CC[NH+]1CCN(C(=O)CC(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001207204015 1037242923 /nfs/dbraw/zinc/24/29/23/1037242923.db2.gz YTYKFTXFKXFGOB-UHFFFAOYSA-N 1 2 367.534 2.990 20 30 FFEDLO CC(C)Oc1ncc(Br)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001234933181 1037245107 /nfs/dbraw/zinc/24/51/07/1037245107.db2.gz AUPRFXHNXIQJME-KYFMZXIUSA-N 1 2 369.259 2.623 20 30 FFEDLO CC(C)Oc1ncc(Br)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001234933181 1037245113 /nfs/dbraw/zinc/24/51/13/1037245113.db2.gz AUPRFXHNXIQJME-KYFMZXIUSA-N 1 2 369.259 2.623 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccn(C(C)C)n2)C[C@H]1C)OCC ZINC001207263404 1037294855 /nfs/dbraw/zinc/29/48/55/1037294855.db2.gz SDDKUOIQVYRRAI-QRQLOZEOSA-N 1 2 362.518 2.772 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(C)C)n2)C[C@H]1C)OCC ZINC001207263404 1037294867 /nfs/dbraw/zinc/29/48/67/1037294867.db2.gz SDDKUOIQVYRRAI-QRQLOZEOSA-N 1 2 362.518 2.772 20 30 FFEDLO C#CC[NH+]1CCN(Cc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)CC1 ZINC001235131738 1037379089 /nfs/dbraw/zinc/37/90/89/1037379089.db2.gz BKJQTNWSEAJWBQ-UHFFFAOYSA-N 1 2 355.482 2.735 20 30 FFEDLO C=C(C)CN1CCC2(CCN(c3nc(NC4CC4)c(C)c[nH+]3)CC2)C1=O ZINC001277925496 1037379626 /nfs/dbraw/zinc/37/96/26/1037379626.db2.gz FVMUPUVFLFOUSJ-UHFFFAOYSA-N 1 2 355.486 2.754 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2nc(Cl)nc3[nH]ncc32)C1 ZINC001231047298 1037447615 /nfs/dbraw/zinc/44/76/15/1037447615.db2.gz OKOGCRQHYPQQLJ-ZDUSSCGKSA-N 1 2 354.801 2.531 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2nc(Cl)nc3[nH]ncc32)C1 ZINC001231047298 1037447623 /nfs/dbraw/zinc/44/76/23/1037447623.db2.gz OKOGCRQHYPQQLJ-ZDUSSCGKSA-N 1 2 354.801 2.531 20 30 FFEDLO COCCCOc1ccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1OC ZINC001231541295 1037664984 /nfs/dbraw/zinc/66/49/84/1037664984.db2.gz RYQRJDOIUASORZ-SFHVURJKSA-N 1 2 363.479 2.885 20 30 FFEDLO COCCCOc1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1OC ZINC001231541295 1037664990 /nfs/dbraw/zinc/66/49/90/1037664990.db2.gz RYQRJDOIUASORZ-SFHVURJKSA-N 1 2 363.479 2.885 20 30 FFEDLO COc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)c(OC)c1 ZINC001231621720 1037744152 /nfs/dbraw/zinc/74/41/52/1037744152.db2.gz JKLBYACDFHJOEH-UHFFFAOYSA-N 1 2 367.449 2.906 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001208149841 1038090762 /nfs/dbraw/zinc/09/07/62/1038090762.db2.gz JRFXMCZFFNCTFG-POAQFYNOSA-N 1 2 362.518 2.629 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001208149841 1038090775 /nfs/dbraw/zinc/09/07/75/1038090775.db2.gz JRFXMCZFFNCTFG-POAQFYNOSA-N 1 2 362.518 2.629 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC001208393283 1038278748 /nfs/dbraw/zinc/27/87/48/1038278748.db2.gz NEOXWUFBVCTPNO-QLFBSQMISA-N 1 2 358.442 2.868 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC001208393283 1038278756 /nfs/dbraw/zinc/27/87/56/1038278756.db2.gz NEOXWUFBVCTPNO-QLFBSQMISA-N 1 2 358.442 2.868 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccc(-c3ccccc3F)nc2)CC1 ZINC001236990016 1038400168 /nfs/dbraw/zinc/40/01/68/1038400168.db2.gz LMRFIIQSKPVIIX-UHFFFAOYSA-N 1 2 374.423 2.872 20 30 FFEDLO N#Cc1ccc(C[NH+]2CC3(C2)CCN(C(=O)Nc2cccnc2)C3)s1 ZINC001278926040 1038467896 /nfs/dbraw/zinc/46/78/96/1038467896.db2.gz XYDIJARUKREHJU-UHFFFAOYSA-N 1 2 353.451 2.755 20 30 FFEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC001256644566 1038589484 /nfs/dbraw/zinc/58/94/84/1038589484.db2.gz XKECBIAZZOZHLI-ICSRJNTNSA-N 1 2 364.445 2.798 20 30 FFEDLO CC[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](CC(=O)c1ccc(C#N)cc1)CC2 ZINC001276626947 1038729806 /nfs/dbraw/zinc/72/98/06/1038729806.db2.gz FMVSDALCNPMCIU-YJBOKZPZSA-N 1 2 353.466 2.758 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(F)(F)C(F)F)C(C)(C)C ZINC001279014766 1038798314 /nfs/dbraw/zinc/79/83/14/1038798314.db2.gz BMGOWKRLSYLEIK-XQQFMLRXSA-N 1 2 368.415 2.989 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](Cc3cn(CC)nn3)C[C@H]2C)CCCCC1 ZINC001209406762 1038841616 /nfs/dbraw/zinc/84/16/16/1038841616.db2.gz RKUIGRFDFJNWOX-SJLPKXTDSA-N 1 2 359.518 2.761 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3cn(CC)nn3)C[C@H]2C)CCCCC1 ZINC001209406762 1038841641 /nfs/dbraw/zinc/84/16/41/1038841641.db2.gz RKUIGRFDFJNWOX-SJLPKXTDSA-N 1 2 359.518 2.761 20 30 FFEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC001251142124 1038964641 /nfs/dbraw/zinc/96/46/41/1038964641.db2.gz GDRBAOXZWVQANH-FQEVSTJZSA-N 1 2 372.513 2.837 20 30 FFEDLO COC(=O)[C@H](CS)[NH2+][C@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257789069 1038976932 /nfs/dbraw/zinc/97/69/32/1038976932.db2.gz CWLUSZOAMGBTPM-SUNYJGFJSA-N 1 2 372.531 2.617 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC(CC)CC)C2)c1 ZINC001209799114 1039231998 /nfs/dbraw/zinc/23/19/98/1039231998.db2.gz FXBZWLLIBDKCDL-OXQOHEQNSA-N 1 2 369.509 2.869 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC(CC)CC)C2)c1 ZINC001209799114 1039232012 /nfs/dbraw/zinc/23/20/12/1039232012.db2.gz FXBZWLLIBDKCDL-OXQOHEQNSA-N 1 2 369.509 2.869 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CCC)C2)c1 ZINC001209799873 1039232741 /nfs/dbraw/zinc/23/27/41/1039232741.db2.gz MTCRDPPWXRGUFF-IMFGXOCKSA-N 1 2 369.509 2.869 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CCC)C2)c1 ZINC001209799873 1039232755 /nfs/dbraw/zinc/23/27/55/1039232755.db2.gz MTCRDPPWXRGUFF-IMFGXOCKSA-N 1 2 369.509 2.869 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCCOC2)C1 ZINC001209876990 1039270065 /nfs/dbraw/zinc/27/00/65/1039270065.db2.gz IQGKSKSHROWIIF-VHDGCEQUSA-N 1 2 359.308 2.538 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCCOC2)C1 ZINC001209876990 1039270077 /nfs/dbraw/zinc/27/00/77/1039270077.db2.gz IQGKSKSHROWIIF-VHDGCEQUSA-N 1 2 359.308 2.538 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1Cc1cc(Br)cc(Br)c1 ZINC001210122024 1039392374 /nfs/dbraw/zinc/39/23/74/1039392374.db2.gz OPNBTMNDQZBILX-GFCCVEGCSA-N 1 2 359.065 2.509 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1Cc1ccc(Br)cc1N1CCCCC1 ZINC001210122927 1039393408 /nfs/dbraw/zinc/39/34/08/1039393408.db2.gz VPZPDQPSZHSDKF-INIZCTEOSA-N 1 2 363.303 2.737 20 30 FFEDLO CCCCCCCC[C@@H](O)C[N@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001252127663 1039441950 /nfs/dbraw/zinc/44/19/50/1039441950.db2.gz DBAOCSCEQKFKHJ-DLBZAZTESA-N 1 2 352.523 2.862 20 30 FFEDLO CCCCCCCC[C@@H](O)C[N@@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001252127663 1039441960 /nfs/dbraw/zinc/44/19/60/1039441960.db2.gz DBAOCSCEQKFKHJ-DLBZAZTESA-N 1 2 352.523 2.862 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3C[C@@H]4CCCC[C@H]34)CC2)cc1 ZINC001246911360 1039529997 /nfs/dbraw/zinc/52/99/97/1039529997.db2.gz UWNLJKCWQYVHSD-SLFFLAALSA-N 1 2 352.482 2.964 20 30 FFEDLO CSc1cccc(C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c1 ZINC001278680041 1039677918 /nfs/dbraw/zinc/67/79/18/1039677918.db2.gz ZJQWCPUCPNVAGS-UHFFFAOYSA-N 1 2 366.490 2.577 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COc2ccccc2OCC)C1 ZINC001210762273 1039718821 /nfs/dbraw/zinc/71/88/21/1039718821.db2.gz UJKUVBNTXYBKMC-UKRRQHHQSA-N 1 2 352.862 2.653 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COc2ccccc2OCC)C1 ZINC001210762273 1039718840 /nfs/dbraw/zinc/71/88/40/1039718840.db2.gz UJKUVBNTXYBKMC-UKRRQHHQSA-N 1 2 352.862 2.653 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001210914446 1039818383 /nfs/dbraw/zinc/81/83/83/1039818383.db2.gz GVFWBSJLZAJQSL-UHFFFAOYSA-N 1 2 374.444 2.943 20 30 FFEDLO C#CC[C@@H]([NH3+])c1nc(-c2ccccc2CS(=O)(=O)c2ccccc2)no1 ZINC001247609144 1039830228 /nfs/dbraw/zinc/83/02/28/1039830228.db2.gz FVMAJNAJZLYXQZ-QGZVFWFLSA-N 1 2 367.430 2.734 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1C)c1ccccc1 ZINC001211228016 1040012069 /nfs/dbraw/zinc/01/20/69/1040012069.db2.gz HGZQDKUGPJQTAB-RVKKMQEKSA-N 1 2 356.495 2.835 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1C)c1ccccc1 ZINC001211228016 1040012083 /nfs/dbraw/zinc/01/20/83/1040012083.db2.gz HGZQDKUGPJQTAB-RVKKMQEKSA-N 1 2 356.495 2.835 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2nn(CC)nc2C)C[C@H]1C)c1ccccc1 ZINC001211241845 1040028250 /nfs/dbraw/zinc/02/82/50/1040028250.db2.gz PWVKABCAAVVADB-AYOQOUSVSA-N 1 2 367.497 2.513 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2nn(CC)nc2C)C[C@H]1C)c1ccccc1 ZINC001211241845 1040028270 /nfs/dbraw/zinc/02/82/70/1040028270.db2.gz PWVKABCAAVVADB-AYOQOUSVSA-N 1 2 367.497 2.513 20 30 FFEDLO Cc1cnc(CN2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)s1 ZINC001278720622 1040175342 /nfs/dbraw/zinc/17/53/42/1040175342.db2.gz RQMCRLQHUXRTQG-UHFFFAOYSA-N 1 2 355.511 2.760 20 30 FFEDLO Cc1cnc(C[NH+]2CCC3(CN(Cc4cc(C#N)n(C)c4)C3)CC2)s1 ZINC001278720622 1040175351 /nfs/dbraw/zinc/17/53/51/1040175351.db2.gz RQMCRLQHUXRTQG-UHFFFAOYSA-N 1 2 355.511 2.760 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)OCCC(C)C)C1 ZINC001211427946 1040188153 /nfs/dbraw/zinc/18/81/53/1040188153.db2.gz SOJKWNJQXKILRT-BPLDGKMQSA-N 1 2 361.324 2.783 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)OCCC(C)C)C1 ZINC001211427946 1040188162 /nfs/dbraw/zinc/18/81/62/1040188162.db2.gz SOJKWNJQXKILRT-BPLDGKMQSA-N 1 2 361.324 2.783 20 30 FFEDLO C=C[C@@H](O)CNc1c[nH+]cc(F)c1N1CCC(C(=O)OC(C)(C)C)CC1 ZINC001253570739 1040244165 /nfs/dbraw/zinc/24/41/65/1040244165.db2.gz ATHNBXXTRJQDJL-CQSZACIVSA-N 1 2 365.449 2.738 20 30 FFEDLO C=C[C@@H](O)CNc1ccc(N2CCC(NC(=O)OC(C)(C)C)CC2)[nH+]c1 ZINC001253574745 1040246296 /nfs/dbraw/zinc/24/62/96/1040246296.db2.gz RMKRKFZABFYXNK-MRXNPFEDSA-N 1 2 362.474 2.534 20 30 FFEDLO Cc1cccc(S(=O)(=O)NCCn2c[nH+]cc2-c2ccccc2)c1C#N ZINC001213259200 1040382879 /nfs/dbraw/zinc/38/28/79/1040382879.db2.gz HNWGLDUDLLEEMP-UHFFFAOYSA-N 1 2 366.446 2.709 20 30 FFEDLO Cc1ccc(S(=O)(=O)NCCn2c[nH+]cc2-c2ccccc2)c(C#N)c1 ZINC001213262204 1040386595 /nfs/dbraw/zinc/38/65/95/1040386595.db2.gz PZCSDVNBUAIKPO-UHFFFAOYSA-N 1 2 366.446 2.709 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001213266785 1040391301 /nfs/dbraw/zinc/39/13/01/1040391301.db2.gz JOSZGGXGOVXCEK-QZTJIDSGSA-N 1 2 360.885 2.719 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001213266785 1040391315 /nfs/dbraw/zinc/39/13/15/1040391315.db2.gz JOSZGGXGOVXCEK-QZTJIDSGSA-N 1 2 360.885 2.719 20 30 FFEDLO CCc1cc(C#N)ccc1CN1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001248750910 1040394851 /nfs/dbraw/zinc/39/48/51/1040394851.db2.gz BJONSCQTJRCMSB-UHFFFAOYSA-N 1 2 366.513 2.958 20 30 FFEDLO CCc1cc(C#N)ccc1CN1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001248750910 1040394884 /nfs/dbraw/zinc/39/48/84/1040394884.db2.gz BJONSCQTJRCMSB-UHFFFAOYSA-N 1 2 366.513 2.958 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213320561 1040447920 /nfs/dbraw/zinc/44/79/20/1040447920.db2.gz ZSONVWLVYITRPY-NSISKUIASA-N 1 2 358.457 2.595 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213320561 1040447923 /nfs/dbraw/zinc/44/79/23/1040447923.db2.gz ZSONVWLVYITRPY-NSISKUIASA-N 1 2 358.457 2.595 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2OC)CC1 ZINC001213393115 1040509461 /nfs/dbraw/zinc/50/94/61/1040509461.db2.gz XFSBCFYGQIPHEL-IAGOWNOFSA-N 1 2 359.495 2.682 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2OC)CC1 ZINC001213393115 1040509481 /nfs/dbraw/zinc/50/94/81/1040509481.db2.gz XFSBCFYGQIPHEL-IAGOWNOFSA-N 1 2 359.495 2.682 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2OC)CC1 ZINC001213393107 1040509569 /nfs/dbraw/zinc/50/95/69/1040509569.db2.gz WXKGBMKMMDTCTP-WOJBJXKFSA-N 1 2 370.468 2.739 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2OC)CC1 ZINC001213393107 1040509594 /nfs/dbraw/zinc/50/95/94/1040509594.db2.gz WXKGBMKMMDTCTP-WOJBJXKFSA-N 1 2 370.468 2.739 20 30 FFEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC ZINC001254294518 1040663926 /nfs/dbraw/zinc/66/39/26/1040663926.db2.gz APIMNGQOJOVXQH-VCBZYWHSSA-N 1 2 352.475 2.873 20 30 FFEDLO CCC(CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213628897 1040736595 /nfs/dbraw/zinc/73/65/95/1040736595.db2.gz BUHHQAJWHCCKCN-RTBURBONSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC(CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213628897 1040736609 /nfs/dbraw/zinc/73/66/09/1040736609.db2.gz BUHHQAJWHCCKCN-RTBURBONSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2OC)CCCC1 ZINC001213659528 1040768338 /nfs/dbraw/zinc/76/83/38/1040768338.db2.gz NEOJZWCJUGTNFG-IAGOWNOFSA-N 1 2 361.511 2.906 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2OC)CCCC1 ZINC001213659528 1040768353 /nfs/dbraw/zinc/76/83/53/1040768353.db2.gz NEOJZWCJUGTNFG-IAGOWNOFSA-N 1 2 361.511 2.906 20 30 FFEDLO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ncc(C(=O)OC)s1)C2 ZINC001249463539 1040780912 /nfs/dbraw/zinc/78/09/12/1040780912.db2.gz MXLSGYNIXRPABS-YJBOKZPZSA-N 1 2 366.483 2.503 20 30 FFEDLO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ncc(C(=O)OC)s1)C2 ZINC001249463539 1040780927 /nfs/dbraw/zinc/78/09/27/1040780927.db2.gz MXLSGYNIXRPABS-YJBOKZPZSA-N 1 2 366.483 2.503 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1OC)c1ccccc1 ZINC001213900032 1041048165 /nfs/dbraw/zinc/04/81/65/1041048165.db2.gz QMYFZBMTNGKMIC-ILZDJORESA-N 1 2 369.465 2.658 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1OC)c1ccccc1 ZINC001213900032 1041048180 /nfs/dbraw/zinc/04/81/80/1041048180.db2.gz QMYFZBMTNGKMIC-ILZDJORESA-N 1 2 369.465 2.658 20 30 FFEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C(=O)OCC ZINC001254971280 1041075982 /nfs/dbraw/zinc/07/59/82/1041075982.db2.gz YRTZZPDITDCJDG-MRNSRZSKSA-N 1 2 364.486 2.872 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H]([N@@H+]2Cc3cccc(C#N)c3C2)C1 ZINC001261799879 1041425841 /nfs/dbraw/zinc/42/58/41/1041425841.db2.gz AEJXVYHMCJNZHN-XLIONFOSSA-N 1 2 357.454 2.634 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H]([N@H+]2Cc3cccc(C#N)c3C2)C1 ZINC001261799879 1041425847 /nfs/dbraw/zinc/42/58/47/1041425847.db2.gz AEJXVYHMCJNZHN-XLIONFOSSA-N 1 2 357.454 2.634 20 30 FFEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC001214672010 1041526947 /nfs/dbraw/zinc/52/69/47/1041526947.db2.gz DKTSJLBZWJPFMO-KCPJHIHWSA-N 1 2 360.326 2.514 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC001214672010 1041526952 /nfs/dbraw/zinc/52/69/52/1041526952.db2.gz DKTSJLBZWJPFMO-KCPJHIHWSA-N 1 2 360.326 2.514 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC001214730338 1041553577 /nfs/dbraw/zinc/55/35/77/1041553577.db2.gz XECBZZJDTMQFNF-UKRRQHHQSA-N 1 2 358.442 2.868 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@](C)(C(F)(F)F)C1 ZINC001262873453 1041918838 /nfs/dbraw/zinc/91/88/38/1041918838.db2.gz IOZVAOWMHITPKY-MRXNPFEDSA-N 1 2 370.423 2.687 20 30 FFEDLO CSc1ccc(C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)s1 ZINC001276732814 1041923433 /nfs/dbraw/zinc/92/34/33/1041923433.db2.gz DJYAABYNKGYRDD-UHFFFAOYSA-N 1 2 372.519 2.638 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(OC)c(O)c2Cl)C1=O ZINC001276736040 1041973816 /nfs/dbraw/zinc/97/38/16/1041973816.db2.gz QMIOOXTUOLYNRQ-SFHVURJKSA-N 1 2 350.846 2.807 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(OC)c(O)c2Cl)C1=O ZINC001276736040 1041973820 /nfs/dbraw/zinc/97/38/20/1041973820.db2.gz QMIOOXTUOLYNRQ-SFHVURJKSA-N 1 2 350.846 2.807 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1CSC ZINC001262941757 1041977903 /nfs/dbraw/zinc/97/79/03/1041977903.db2.gz SYSRKWKZCFSWCC-HOTGVXAUSA-N 1 2 365.547 2.578 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1CSC ZINC001262941757 1041977909 /nfs/dbraw/zinc/97/79/09/1041977909.db2.gz SYSRKWKZCFSWCC-HOTGVXAUSA-N 1 2 365.547 2.578 20 30 FFEDLO C=CCn1c(N(C)Cc2c(C)cccc2C)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001262988337 1042011547 /nfs/dbraw/zinc/01/15/47/1042011547.db2.gz PZKLBNDXPXTTJG-DYESRHJHSA-N 1 2 369.513 2.629 20 30 FFEDLO C=CCn1c(N(C)Cc2c(C)cccc2C)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001262988337 1042011556 /nfs/dbraw/zinc/01/15/56/1042011556.db2.gz PZKLBNDXPXTTJG-DYESRHJHSA-N 1 2 369.513 2.629 20 30 FFEDLO C#CCC1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C4CC4)o3)C2)CCCCC1 ZINC001216905668 1042160681 /nfs/dbraw/zinc/16/06/81/1042160681.db2.gz GYLIVSBTANTSRK-NVXWUHKLSA-N 1 2 370.497 2.857 20 30 FFEDLO C#CCC1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C4CC4)no3)C2)CCCCC1 ZINC001216906269 1042161112 /nfs/dbraw/zinc/16/11/12/1042161112.db2.gz WIIDLEZPDNAVKE-NVXWUHKLSA-N 1 2 370.497 2.857 20 30 FFEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCCO1 ZINC001263603933 1042396804 /nfs/dbraw/zinc/39/68/04/1042396804.db2.gz QDGNYGPUHKWLES-ROUUACIJSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCCO1 ZINC001263603933 1042396807 /nfs/dbraw/zinc/39/68/07/1042396807.db2.gz QDGNYGPUHKWLES-ROUUACIJSA-N 1 2 372.517 2.744 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@@H+]1Cc1nc(-c2ccccc2)no1 ZINC001264051954 1042599966 /nfs/dbraw/zinc/59/99/66/1042599966.db2.gz XFECJRNJDUMQBZ-ZWKOTPCHSA-N 1 2 364.449 2.619 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@H+]1Cc1nc(-c2ccccc2)no1 ZINC001264051954 1042599967 /nfs/dbraw/zinc/59/99/67/1042599967.db2.gz XFECJRNJDUMQBZ-ZWKOTPCHSA-N 1 2 364.449 2.619 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cnnn2CC)[C@@H]1C)c1ccccc1 ZINC001264174256 1042653274 /nfs/dbraw/zinc/65/32/74/1042653274.db2.gz XUJPTCSUTXNUNH-AHRSYUTCSA-N 1 2 367.497 2.737 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cnnn2CC)[C@@H]1C)c1ccccc1 ZINC001264174256 1042653276 /nfs/dbraw/zinc/65/32/76/1042653276.db2.gz XUJPTCSUTXNUNH-AHRSYUTCSA-N 1 2 367.497 2.737 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](CC(=O)Nc2cccc3ccccc32)[C@@H]1C ZINC001264694935 1042781881 /nfs/dbraw/zinc/78/18/81/1042781881.db2.gz QVMBFRCMMJIKFX-RKVPGOIHSA-N 1 2 364.449 2.517 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2cccc3ccccc32)[C@@H]1C ZINC001264694935 1042781883 /nfs/dbraw/zinc/78/18/83/1042781883.db2.gz QVMBFRCMMJIKFX-RKVPGOIHSA-N 1 2 364.449 2.517 20 30 FFEDLO C=C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cc3n(n2)CCC3)[C@@H]1C)c1ccccc1 ZINC001264733959 1042815431 /nfs/dbraw/zinc/81/54/31/1042815431.db2.gz VVBFGPXRGUISON-CZAAIQMYSA-N 1 2 364.493 2.878 20 30 FFEDLO C=C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)[C@@H]1C)c1ccccc1 ZINC001264733959 1042815436 /nfs/dbraw/zinc/81/54/36/1042815436.db2.gz VVBFGPXRGUISON-CZAAIQMYSA-N 1 2 364.493 2.878 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccccc2NC(=O)C(C)(C)C)CC1 ZINC001237400327 1043141397 /nfs/dbraw/zinc/14/13/97/1043141397.db2.gz JGPKAICKXPBNPN-UHFFFAOYSA-N 1 2 357.454 2.950 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2ccnc(C#N)c2)Cc2c1cnn2CC1CC1 ZINC001237462637 1043180575 /nfs/dbraw/zinc/18/05/75/1043180575.db2.gz IOGNMXSJQHEOCA-QGZVFWFLSA-N 1 2 351.454 2.696 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)Cc2c1cnn2CC1CC1 ZINC001237462637 1043180583 /nfs/dbraw/zinc/18/05/83/1043180583.db2.gz IOGNMXSJQHEOCA-QGZVFWFLSA-N 1 2 351.454 2.696 20 30 FFEDLO N#Cc1cc(C[N@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c(F)cc1F ZINC001237527544 1043219946 /nfs/dbraw/zinc/21/99/46/1043219946.db2.gz VFZOWQRDARPCNY-GASCZTMLSA-N 1 2 360.433 2.857 20 30 FFEDLO N#Cc1cc(C[N@@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c(F)cc1F ZINC001237527544 1043219956 /nfs/dbraw/zinc/21/99/56/1043219956.db2.gz VFZOWQRDARPCNY-GASCZTMLSA-N 1 2 360.433 2.857 20 30 FFEDLO N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001309800728 1043532743 /nfs/dbraw/zinc/53/27/43/1043532743.db2.gz XJQAPFKHUNLBPG-KRWDZBQOSA-N 1 2 370.409 2.614 20 30 FFEDLO C=C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2nc(C)no2)[C@@H]1CC)c1ccccc1 ZINC001316742682 1043631998 /nfs/dbraw/zinc/63/19/98/1043631998.db2.gz SGHVBYDEMUDWJB-FGTMMUONSA-N 1 2 354.454 2.817 20 30 FFEDLO C=C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)no2)[C@@H]1CC)c1ccccc1 ZINC001316742682 1043632002 /nfs/dbraw/zinc/63/20/02/1043632002.db2.gz SGHVBYDEMUDWJB-FGTMMUONSA-N 1 2 354.454 2.817 20 30 FFEDLO COc1ccc(Cl)c(C[NH+]2CC3(C[C@@H]3C(=O)NC3(C#N)CCC3)C2)c1 ZINC001279870476 1043803391 /nfs/dbraw/zinc/80/33/91/1043803391.db2.gz HBDFNMHAFMJZAM-OAHLLOKOSA-N 1 2 359.857 2.733 20 30 FFEDLO COc1ccc(Cl)c(C[NH+]2CC3(C[C@H]3C(=O)N3CC(CC#N)C3)C2)c1 ZINC001279870951 1043807233 /nfs/dbraw/zinc/80/72/33/1043807233.db2.gz OXZOIVFPKRATJO-INIZCTEOSA-N 1 2 359.857 2.543 20 30 FFEDLO Cc1ncsc1C[NH+]1CC2(CN(C(=S)Nc3ccc(C#N)cc3)C2)C1 ZINC001279912908 1043913494 /nfs/dbraw/zinc/91/34/94/1043913494.db2.gz UDYYLUDNAZMAHJ-UHFFFAOYSA-N 1 2 369.519 2.838 20 30 FFEDLO COc1ccc(C[NH+]2CC3(C[C@@H]3C(=O)N3CC(CC#N)C3)C2)cc1Cl ZINC001279931994 1043938950 /nfs/dbraw/zinc/93/89/50/1043938950.db2.gz NAIRYQAWJLDBQX-OAHLLOKOSA-N 1 2 359.857 2.543 20 30 FFEDLO C=CCCCN(CC)C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001312047576 1044026181 /nfs/dbraw/zinc/02/61/81/1044026181.db2.gz NCFSKQOEXGBGAW-FQEVSTJZSA-N 1 2 359.514 2.928 20 30 FFEDLO C=CCCNC(=S)N1CC[NH2+][C@H](c2cccc(Br)c2)C1 ZINC001239438989 1044123442 /nfs/dbraw/zinc/12/34/42/1044123442.db2.gz YSVNNKSUPSSWAS-AWEZNQCLSA-N 1 2 354.317 2.846 20 30 FFEDLO COC(=O)c1cc(C#N)ccc1-c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001240450262 1044347289 /nfs/dbraw/zinc/34/72/89/1044347289.db2.gz UUANGKDADOTKJD-UHFFFAOYSA-N 1 2 366.417 2.723 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3cccc(CC#N)c3F)cn2)CC1 ZINC001241560082 1044545739 /nfs/dbraw/zinc/54/57/39/1044545739.db2.gz IATWHAYXQIPVOS-UHFFFAOYSA-N 1 2 353.445 2.613 20 30 FFEDLO COCC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001281073435 1044828181 /nfs/dbraw/zinc/82/81/81/1044828181.db2.gz YHDTVLIJYSEIJR-BHIFYINESA-N 1 2 368.521 2.862 20 30 FFEDLO COCC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001281073435 1044828200 /nfs/dbraw/zinc/82/82/00/1044828200.db2.gz YHDTVLIJYSEIJR-BHIFYINESA-N 1 2 368.521 2.862 20 30 FFEDLO C=C(Br)C[NH+]1CCC(N(CCC)C(=O)[C@]23C[C@H]2COC3)CC1 ZINC001317005050 1045051166 /nfs/dbraw/zinc/05/11/66/1045051166.db2.gz DOVKZZWMEMQDTN-YOEHRIQHSA-N 1 2 371.319 2.635 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001319222258 1045072534 /nfs/dbraw/zinc/07/25/34/1045072534.db2.gz PVCOLXHLSPYPGM-QGZVFWFLSA-N 1 2 366.465 2.596 20 30 FFEDLO N#CCOc1ccc(-c2ccc(OCC[NH+]3CCOCC3)cc2F)nc1 ZINC001244135468 1045085814 /nfs/dbraw/zinc/08/58/14/1045085814.db2.gz HISYRYCTYIRRLL-UHFFFAOYSA-N 1 2 357.385 2.501 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001281763873 1045089478 /nfs/dbraw/zinc/08/94/78/1045089478.db2.gz RCCRRHZVBBAWRW-QGPMSJSTSA-N 1 2 370.497 2.561 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CCCc2ccccc2)CC1 ZINC001539429859 1070635666 /nfs/dbraw/zinc/63/56/66/1070635666.db2.gz FHSSZHZPPWUFLG-UHFFFAOYSA-N 1 2 351.498 2.790 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CC2(CCOC)CCC2)CC1 ZINC001539428518 1070635796 /nfs/dbraw/zinc/63/57/96/1070635796.db2.gz SOHJVIQJQRAXPP-UHFFFAOYSA-N 1 2 373.545 2.538 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2Cc2ccc(Cl)cc2)CC1 ZINC001539452639 1070641059 /nfs/dbraw/zinc/64/10/59/1070641059.db2.gz WOUPBDLCEOJPMS-UHFFFAOYSA-N 1 2 371.916 2.934 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001282160880 1045395178 /nfs/dbraw/zinc/39/51/78/1045395178.db2.gz IFUFPZJEFYIMCA-YLFCFFPRSA-N 1 2 372.513 2.527 20 30 FFEDLO C=CCN1CC[C@H](OC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(C)c2)C1=O ZINC001321186280 1045580671 /nfs/dbraw/zinc/58/06/71/1045580671.db2.gz ZPRNEUXIOUGOSC-MOPGFXCFSA-N 1 2 356.466 2.680 20 30 FFEDLO C=CCN1CC[C@H](OC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(C)c2)C1=O ZINC001321186280 1045580677 /nfs/dbraw/zinc/58/06/77/1045580677.db2.gz ZPRNEUXIOUGOSC-MOPGFXCFSA-N 1 2 356.466 2.680 20 30 FFEDLO C#CCCCCCC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001285172912 1046752651 /nfs/dbraw/zinc/75/26/51/1046752651.db2.gz GZPQRUYKZNZJLH-BRSBDYLESA-N 1 2 370.497 2.641 20 30 FFEDLO C#CCCCCCC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001285172912 1046752665 /nfs/dbraw/zinc/75/26/65/1046752665.db2.gz GZPQRUYKZNZJLH-BRSBDYLESA-N 1 2 370.497 2.641 20 30 FFEDLO N#Cc1csc(C[NH+]2CCC(CN3C(=O)c4ccccc4C3=O)CC2)n1 ZINC001326139585 1046782009 /nfs/dbraw/zinc/78/20/09/1046782009.db2.gz WMCPKQJUAVQKQV-UHFFFAOYSA-N 1 2 366.446 2.523 20 30 FFEDLO C=CCC1(C(=O)N(C)[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001285721498 1046912290 /nfs/dbraw/zinc/91/22/90/1046912290.db2.gz MWXPKLHWTYMKKV-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCC1(C(=O)N(C)[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001285721498 1046912299 /nfs/dbraw/zinc/91/22/99/1046912299.db2.gz MWXPKLHWTYMKKV-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCOc1ccc(CC(=O)N2CCC([N@H+](C)CC(F)F)CC2)cc1 ZINC001326481727 1046950846 /nfs/dbraw/zinc/95/08/46/1046950846.db2.gz JZOLWSSXUZBLRI-UHFFFAOYSA-N 1 2 352.425 2.982 20 30 FFEDLO C=CCOc1ccc(CC(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cc1 ZINC001326481727 1046950859 /nfs/dbraw/zinc/95/08/59/1046950859.db2.gz JZOLWSSXUZBLRI-UHFFFAOYSA-N 1 2 352.425 2.982 20 30 FFEDLO C#CCCCn1c(C2CCC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001286348081 1047080496 /nfs/dbraw/zinc/08/04/96/1047080496.db2.gz UOQNCMFMYRAPRV-UHFFFAOYSA-N 1 2 364.497 2.983 20 30 FFEDLO C=C(C)CN(CC)c1nnc(COCC)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001286584095 1047136306 /nfs/dbraw/zinc/13/63/06/1047136306.db2.gz XGAWOFGAYMHEQK-UHFFFAOYSA-N 1 2 358.490 2.726 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2ncccn2)C1 ZINC001316644524 1047388295 /nfs/dbraw/zinc/38/82/95/1047388295.db2.gz RLVQHOWKWMUQHU-ZWKOTPCHSA-N 1 2 370.884 2.746 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2ncccn2)C1 ZINC001316644524 1047388307 /nfs/dbraw/zinc/38/83/07/1047388307.db2.gz RLVQHOWKWMUQHU-ZWKOTPCHSA-N 1 2 370.884 2.746 20 30 FFEDLO Cc1ccc2c(c1)C=C(C(=O)N1CC[NH+](Cc3ccc(C#N)cc3)CC1)CO2 ZINC001290045965 1047813143 /nfs/dbraw/zinc/81/31/43/1047813143.db2.gz MMKBOHRQCAPXCZ-UHFFFAOYSA-N 1 2 373.456 2.987 20 30 FFEDLO C=CCCCC(=O)N1CCCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001290565441 1048219129 /nfs/dbraw/zinc/21/91/29/1048219129.db2.gz HSIQOGIQSMAMNT-GVDBMIGSSA-N 1 2 358.486 2.757 20 30 FFEDLO C=CCCCC(=O)N1CCCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001290565441 1048219132 /nfs/dbraw/zinc/21/91/32/1048219132.db2.gz HSIQOGIQSMAMNT-GVDBMIGSSA-N 1 2 358.486 2.757 20 30 FFEDLO O=C(CC#Cc1ccccc1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001332917707 1048621494 /nfs/dbraw/zinc/62/14/94/1048621494.db2.gz PWTWMALISUQYOC-UHFFFAOYSA-N 1 2 351.475 2.693 20 30 FFEDLO C=CCCC(C)(C)CNC(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC001330494396 1049180598 /nfs/dbraw/zinc/18/05/98/1049180598.db2.gz ZYJYYTXXCVFQBX-UHFFFAOYSA-N 1 2 368.481 2.656 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCn1cc[nH+]c1 ZINC001292215647 1049186995 /nfs/dbraw/zinc/18/69/95/1049186995.db2.gz IANJWZBHFJYSBX-PDOICOKGSA-N 1 2 358.486 2.514 20 30 FFEDLO CCC[C@H]1CCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CCOC ZINC001341670475 1050293778 /nfs/dbraw/zinc/29/37/78/1050293778.db2.gz DYPPXCCMDQXRSG-SFHVURJKSA-N 1 2 374.533 2.786 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)[C@@H]1CCCc2c1cnn2C ZINC001341903689 1050503710 /nfs/dbraw/zinc/50/37/10/1050503710.db2.gz MLEFGJOVAUSCQT-AEFFLSMTSA-N 1 2 369.517 2.868 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)[C@@H]1CCCc2c1cnn2C ZINC001341903689 1050503725 /nfs/dbraw/zinc/50/37/25/1050503725.db2.gz MLEFGJOVAUSCQT-AEFFLSMTSA-N 1 2 369.517 2.868 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCc2cc(O)ccc2C1 ZINC001341907020 1050507393 /nfs/dbraw/zinc/50/73/93/1050507393.db2.gz KLGLCCUOMNXCAN-SFHVURJKSA-N 1 2 353.470 2.889 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCc2cc(O)ccc2C1 ZINC001341907020 1050507396 /nfs/dbraw/zinc/50/73/96/1050507396.db2.gz KLGLCCUOMNXCAN-SFHVURJKSA-N 1 2 353.470 2.889 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(C)(F)CC1 ZINC001342012387 1050608876 /nfs/dbraw/zinc/60/88/76/1050608876.db2.gz FXCBBNRKZHNBJE-HZPDHXFCSA-N 1 2 363.481 2.718 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(C)(F)CC1 ZINC001342012387 1050608881 /nfs/dbraw/zinc/60/88/81/1050608881.db2.gz FXCBBNRKZHNBJE-HZPDHXFCSA-N 1 2 363.481 2.718 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001342099300 1050694653 /nfs/dbraw/zinc/69/46/53/1050694653.db2.gz GRMNYQFYQMDNTD-GOSISDBHSA-N 1 2 359.518 2.703 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC001492419927 1050736768 /nfs/dbraw/zinc/73/67/68/1050736768.db2.gz VNCGGRNPAIVWPK-AEFFLSMTSA-N 1 2 371.506 2.949 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC001492419927 1050736786 /nfs/dbraw/zinc/73/67/86/1050736786.db2.gz VNCGGRNPAIVWPK-AEFFLSMTSA-N 1 2 371.506 2.949 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N(Cc1ccccc1F)C1CC1 ZINC001340373868 1050766774 /nfs/dbraw/zinc/76/67/74/1050766774.db2.gz GAPIERLCZXEXMX-FUHWJXTLSA-N 1 2 371.460 2.510 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N(Cc1ccccc1F)C1CC1 ZINC001340373868 1050766785 /nfs/dbraw/zinc/76/67/85/1050766785.db2.gz GAPIERLCZXEXMX-FUHWJXTLSA-N 1 2 371.460 2.510 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@](OC)(C(F)(F)F)C1 ZINC001340421119 1050816536 /nfs/dbraw/zinc/81/65/36/1050816536.db2.gz HCRSOBACRXPWOZ-MRXNPFEDSA-N 1 2 373.423 2.608 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1scnc1C ZINC001342542331 1051145738 /nfs/dbraw/zinc/14/57/38/1051145738.db2.gz NWMHSEIWPJTWPE-UHFFFAOYSA-N 1 2 357.487 2.580 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001341037742 1051373705 /nfs/dbraw/zinc/37/37/05/1051373705.db2.gz YZESTICOHUDZIZ-QGZVFWFLSA-N 1 2 364.444 2.627 20 30 FFEDLO CC[C@@H]1CN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC(C)C)CCO1 ZINC001342920932 1051531672 /nfs/dbraw/zinc/53/16/72/1051531672.db2.gz IQQRZLJEGRTNPW-GOSISDBHSA-N 1 2 374.533 2.642 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCCC(F)(F)C1 ZINC001343007819 1051622927 /nfs/dbraw/zinc/62/29/27/1051622927.db2.gz VIQZFYPPZPRTMX-OAHLLOKOSA-N 1 2 369.460 2.871 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCCC(F)(F)C1 ZINC001343007819 1051622931 /nfs/dbraw/zinc/62/29/31/1051622931.db2.gz VIQZFYPPZPRTMX-OAHLLOKOSA-N 1 2 369.460 2.871 20 30 FFEDLO CN(c1nnc(C2CC[NH+](CCC#N)CC2)n1C)C1Cc2ccccc2C1 ZINC001341440597 1051797233 /nfs/dbraw/zinc/79/72/33/1051797233.db2.gz NULFTNHSJIHXFX-UHFFFAOYSA-N 1 2 364.497 2.512 20 30 FFEDLO C#CCN(CC#C)c1nnc([C@@H]2CCCC[N@H+]2C)n1Cc1cccs1 ZINC001344987838 1052183036 /nfs/dbraw/zinc/18/30/36/1052183036.db2.gz WDSKKOFVAAFKGU-KRWDZBQOSA-N 1 2 353.495 2.618 20 30 FFEDLO C#CCN(CC#C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1Cc1cccs1 ZINC001344987838 1052183040 /nfs/dbraw/zinc/18/30/40/1052183040.db2.gz WDSKKOFVAAFKGU-KRWDZBQOSA-N 1 2 353.495 2.618 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccs1 ZINC001343559729 1052307323 /nfs/dbraw/zinc/30/73/23/1052307323.db2.gz USCGAYUBYLOTKY-RHSMWYFYSA-N 1 2 360.462 2.597 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccs1 ZINC001343559729 1052307325 /nfs/dbraw/zinc/30/73/25/1052307325.db2.gz USCGAYUBYLOTKY-RHSMWYFYSA-N 1 2 360.462 2.597 20 30 FFEDLO CCCN(CC)c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@@H]1CCOC1 ZINC001345410347 1052430351 /nfs/dbraw/zinc/43/03/51/1052430351.db2.gz BMVIQEOJGQPWBR-KRWDZBQOSA-N 1 2 374.533 2.644 20 30 FFEDLO O=C(CCc1ccco1)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001345547808 1052502512 /nfs/dbraw/zinc/50/25/12/1052502512.db2.gz OTQHPEXLDVVRBD-UHFFFAOYSA-N 1 2 359.447 2.701 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(C)(F)CC1 ZINC001343957746 1052511359 /nfs/dbraw/zinc/51/13/59/1052511359.db2.gz QVAXMAGETCLSRN-INIZCTEOSA-N 1 2 365.497 2.964 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(C)(F)CC1 ZINC001343957746 1052511364 /nfs/dbraw/zinc/51/13/64/1052511364.db2.gz QVAXMAGETCLSRN-INIZCTEOSA-N 1 2 365.497 2.964 20 30 FFEDLO C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C[C@@H]1CCCCO1 ZINC001345583642 1052522676 /nfs/dbraw/zinc/52/26/76/1052522676.db2.gz UHTMWUMZTZBWGT-IKGGRYGDSA-N 1 2 360.506 2.600 20 30 FFEDLO C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1C[C@@H]1CCCCO1 ZINC001345583642 1052522680 /nfs/dbraw/zinc/52/26/80/1052522680.db2.gz UHTMWUMZTZBWGT-IKGGRYGDSA-N 1 2 360.506 2.600 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc(Cc3[nH+]ccn3C)n2Cc2ccccc2)C1 ZINC001344103096 1052596658 /nfs/dbraw/zinc/59/66/58/1052596658.db2.gz USZCTZJLHQWWHV-QGZVFWFLSA-N 1 2 360.465 2.500 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001345983792 1052695235 /nfs/dbraw/zinc/69/52/35/1052695235.db2.gz HLWWAOIBTCUWNT-KBPBESRZSA-N 1 2 373.423 2.606 20 30 FFEDLO C[C@H]1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)C[C@H]1F ZINC001346601686 1053145825 /nfs/dbraw/zinc/14/58/25/1053145825.db2.gz GVUKYEFJHTUHCG-MAUKXSAKSA-N 1 2 374.508 2.965 20 30 FFEDLO CCO[C@@H](C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1)C(C)C ZINC001346719798 1053256587 /nfs/dbraw/zinc/25/65/87/1053256587.db2.gz GUOSBADFFSVAEC-GOSISDBHSA-N 1 2 365.495 2.536 20 30 FFEDLO CCOCCCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001346829914 1053353651 /nfs/dbraw/zinc/35/36/51/1053353651.db2.gz YHMSVVPXBMWOLQ-HXUWFJFHSA-N 1 2 374.533 2.821 20 30 FFEDLO Cc1cc(Cn2c([C@@H]3CCC[N@H+]3C)nnc2N2CCC[C@@H](CC#N)C2)no1 ZINC001348278336 1054598997 /nfs/dbraw/zinc/59/89/97/1054598997.db2.gz WWDIBXOARFNZHZ-RDJZCZTQSA-N 1 2 369.473 2.520 20 30 FFEDLO Cc1cc(Cn2c([C@@H]3CCC[N@@H+]3C)nnc2N2CCC[C@@H](CC#N)C2)no1 ZINC001348278336 1054599011 /nfs/dbraw/zinc/59/90/11/1054599011.db2.gz WWDIBXOARFNZHZ-RDJZCZTQSA-N 1 2 369.473 2.520 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(CCC)Cc1ccccc1 ZINC001351605266 1054918093 /nfs/dbraw/zinc/91/80/93/1054918093.db2.gz SOAMLWMKHKBFBG-ROUUACIJSA-N 1 2 355.486 2.618 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(CCC)Cc1ccccc1 ZINC001351605266 1054918110 /nfs/dbraw/zinc/91/81/10/1054918110.db2.gz SOAMLWMKHKBFBG-ROUUACIJSA-N 1 2 355.486 2.618 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(CC#N)CC1 ZINC001356378205 1055479133 /nfs/dbraw/zinc/47/91/33/1055479133.db2.gz IWGDXYWROQBOPY-UHFFFAOYSA-N 1 2 355.490 2.521 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N(CC)C1CCCC1 ZINC001356380437 1055480082 /nfs/dbraw/zinc/48/00/82/1055480082.db2.gz BSMCGXBHDYTDLL-UHFFFAOYSA-N 1 2 361.534 2.827 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001338693910 1055737258 /nfs/dbraw/zinc/73/72/58/1055737258.db2.gz RPGIJAXOLWGGKB-KSZLIROESA-N 1 2 357.502 2.648 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001338693910 1055737263 /nfs/dbraw/zinc/73/72/63/1055737263.db2.gz RPGIJAXOLWGGKB-KSZLIROESA-N 1 2 357.502 2.648 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001350574600 1055841533 /nfs/dbraw/zinc/84/15/33/1055841533.db2.gz XZQNUSXSNUNFAZ-SJLPKXTDSA-N 1 2 368.481 2.681 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@@H]1C1CCCCC1 ZINC001338895372 1055912396 /nfs/dbraw/zinc/91/23/96/1055912396.db2.gz OYFLSSVDTFNNEI-KSZLIROESA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H]1C1CCCCC1 ZINC001338895372 1055912403 /nfs/dbraw/zinc/91/24/03/1055912403.db2.gz OYFLSSVDTFNNEI-KSZLIROESA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc([C@H]2C[C@H](O)C[N@H+]2C)n1CC=C ZINC001338895733 1055912855 /nfs/dbraw/zinc/91/28/55/1055912855.db2.gz RCCSFHGOCJCLNT-FUHWJXTLSA-N 1 2 371.460 2.533 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc([C@H]2C[C@H](O)C[N@@H+]2C)n1CC=C ZINC001338895733 1055912864 /nfs/dbraw/zinc/91/28/64/1055912864.db2.gz RCCSFHGOCJCLNT-FUHWJXTLSA-N 1 2 371.460 2.533 20 30 FFEDLO Cc1ncc(-c2nnc(N3CCC(Nc4cccc[nH+]4)CC3)n2C)cc1C#N ZINC001339103300 1056095263 /nfs/dbraw/zinc/09/52/63/1056095263.db2.gz XRRLTSVMLXYESW-UHFFFAOYSA-N 1 2 374.452 2.533 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)CCCc1ccccc1 ZINC001339209578 1056206859 /nfs/dbraw/zinc/20/68/59/1056206859.db2.gz BKMIPUOGKDNLCQ-UHFFFAOYSA-N 1 2 350.470 2.857 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCC[C@@](C)(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001358852400 1056501209 /nfs/dbraw/zinc/50/12/09/1056501209.db2.gz XZNXLMXAAXSSMR-QINHECLXSA-N 1 2 370.497 2.614 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCC[C@@](C)(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001358852400 1056501223 /nfs/dbraw/zinc/50/12/23/1056501223.db2.gz XZNXLMXAAXSSMR-QINHECLXSA-N 1 2 370.497 2.614 20 30 FFEDLO CCCCCCCCCNC(=S)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001200380378 1056537317 /nfs/dbraw/zinc/53/73/17/1056537317.db2.gz NUSVRZXSJBQZBX-INIZCTEOSA-N 1 2 368.547 2.719 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2CC(C)(C)SC)CC1 ZINC001359035163 1056667275 /nfs/dbraw/zinc/66/72/75/1056667275.db2.gz MSFHVJSTPZNALI-UHFFFAOYSA-N 1 2 361.559 2.833 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2C[C@@H]2CCCCS2)CC1 ZINC001359035541 1056668949 /nfs/dbraw/zinc/66/89/49/1056668949.db2.gz XFKGEIFCVCCXBE-KRWDZBQOSA-N 1 2 359.543 2.587 20 30 FFEDLO C=CCCn1cc(CNc2[nH+]cccc2CNC(=O)OC(C)(C)C)nn1 ZINC000849346278 1056834166 /nfs/dbraw/zinc/83/41/66/1056834166.db2.gz RKWKXXBZPCWFBF-UHFFFAOYSA-N 1 2 358.446 2.886 20 30 FFEDLO C=CCC(C)(C)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001499504366 1058334517 /nfs/dbraw/zinc/33/45/17/1058334517.db2.gz SDDNJEVAZMQFLN-HUUCEWRRSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCC(C)(C)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001499504366 1058334533 /nfs/dbraw/zinc/33/45/33/1058334533.db2.gz SDDNJEVAZMQFLN-HUUCEWRRSA-N 1 2 358.486 2.661 20 30 FFEDLO CCc1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1c[nH+]ccc1OC ZINC001513798568 1058570201 /nfs/dbraw/zinc/57/02/01/1058570201.db2.gz OCCBBXVFGNFVQN-UHFFFAOYSA-N 1 2 362.437 2.800 20 30 FFEDLO C=CCN(c1nnc(C[NH+]2CCCCC2)n1C[C@H]1CCCCO1)C1CC1 ZINC001519959637 1059244657 /nfs/dbraw/zinc/24/46/57/1059244657.db2.gz ISQRGFLQIAAJPD-GOSISDBHSA-N 1 2 359.518 2.988 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001515081947 1059303615 /nfs/dbraw/zinc/30/36/15/1059303615.db2.gz MVHLZPVYBBPREP-ZJIFWQFVSA-N 1 2 358.486 2.517 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001515081947 1059303639 /nfs/dbraw/zinc/30/36/39/1059303639.db2.gz MVHLZPVYBBPREP-ZJIFWQFVSA-N 1 2 358.486 2.517 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CC2(CC)CCOCC2)CC1 ZINC001300683277 1059319297 /nfs/dbraw/zinc/31/92/97/1059319297.db2.gz YZCBXFSEGDFRLP-SFHVURJKSA-N 1 2 373.545 2.754 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2cscc2C)CC1 ZINC001300683268 1059319573 /nfs/dbraw/zinc/31/95/73/1059319573.db2.gz YSRPHCHRQKGUIO-UHFFFAOYSA-N 1 2 357.527 2.749 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CCc2cccs2)CC1 ZINC001300697912 1059392905 /nfs/dbraw/zinc/39/29/05/1059392905.db2.gz KYBYUYKJCQPRAG-UHFFFAOYSA-N 1 2 355.511 2.605 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1ccon1 ZINC001515297356 1059513939 /nfs/dbraw/zinc/51/39/39/1059513939.db2.gz UNRYENPTDHFAMJ-UHFFFAOYSA-N 1 2 369.473 2.572 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCCC[C@H]1CC1CCC1 ZINC001520289140 1059575314 /nfs/dbraw/zinc/57/53/14/1059575314.db2.gz LCJSFIOFLYOIIU-BZSNNMDCSA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCCC[C@H]1CC1CCC1 ZINC001520289140 1059575335 /nfs/dbraw/zinc/57/53/35/1059575335.db2.gz LCJSFIOFLYOIIU-BZSNNMDCSA-N 1 2 359.518 2.751 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCCC)CC1 ZINC001507722106 1059703659 /nfs/dbraw/zinc/70/36/59/1059703659.db2.gz ZNTOQGXOBGRFCL-UHFFFAOYSA-N 1 2 367.497 2.899 20 30 FFEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCCOCC1 ZINC001520497019 1059735383 /nfs/dbraw/zinc/73/53/83/1059735383.db2.gz LITCBIFZMNLJQI-QGZVFWFLSA-N 1 2 355.486 2.884 20 30 FFEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCCOCC1 ZINC001520497019 1059735392 /nfs/dbraw/zinc/73/53/92/1059735392.db2.gz LITCBIFZMNLJQI-QGZVFWFLSA-N 1 2 355.486 2.884 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC(CO)CC1 ZINC001520516848 1059756936 /nfs/dbraw/zinc/75/69/36/1059756936.db2.gz XBFVBLOSKIFRIF-QGZVFWFLSA-N 1 2 358.490 2.505 20 30 FFEDLO C=CCN(C)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001507986719 1059783585 /nfs/dbraw/zinc/78/35/85/1059783585.db2.gz GQXHPSLFVQMAAR-HZPDHXFCSA-N 1 2 356.474 2.834 20 30 FFEDLO CC1(C#N)CCC2(CC1)NC(c1ccc(C[NH+]3CCOCC3)cc1)=NO2 ZINC001355186956 1059967377 /nfs/dbraw/zinc/96/73/77/1059967377.db2.gz WFKCWEPOJBQDLO-UHFFFAOYSA-N 1 2 354.454 2.600 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N(CC[NH+](C)C)c2ccccc2)cc1C#N ZINC001516842216 1060247304 /nfs/dbraw/zinc/24/73/04/1060247304.db2.gz LEWWVZDOWWJJTI-UHFFFAOYSA-N 1 2 356.451 2.589 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc(C[N@@H+]2CCC[C@@H](O)C2)n1CC ZINC001521001800 1060292757 /nfs/dbraw/zinc/29/27/57/1060292757.db2.gz XIDKONUVTDPNBV-OAHLLOKOSA-N 1 2 361.515 2.509 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc(C[N@H+]2CCC[C@@H](O)C2)n1CC ZINC001521001800 1060292775 /nfs/dbraw/zinc/29/27/75/1060292775.db2.gz XIDKONUVTDPNBV-OAHLLOKOSA-N 1 2 361.515 2.509 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc(C[N@@H+]2CCC[C@H](O)C2)n1CC ZINC001521001798 1060293103 /nfs/dbraw/zinc/29/31/03/1060293103.db2.gz XIDKONUVTDPNBV-HNNXBMFYSA-N 1 2 361.515 2.509 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc(C[N@H+]2CCC[C@H](O)C2)n1CC ZINC001521001798 1060293120 /nfs/dbraw/zinc/29/31/20/1060293120.db2.gz XIDKONUVTDPNBV-HNNXBMFYSA-N 1 2 361.515 2.509 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC001511329517 1060329412 /nfs/dbraw/zinc/32/94/12/1060329412.db2.gz ZNYHMVJWSRDRKW-WYSJICDVSA-N 1 2 370.497 2.755 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC001511329517 1060329432 /nfs/dbraw/zinc/32/94/32/1060329432.db2.gz ZNYHMVJWSRDRKW-WYSJICDVSA-N 1 2 370.497 2.755 20 30 FFEDLO C=C(C)Cn1c(N2CCC(C(C)C)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001355959228 1060763956 /nfs/dbraw/zinc/76/39/56/1060763956.db2.gz YJHLZECLICXHRS-YLJYHZDGSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CCC(C(C)C)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001355959228 1060763971 /nfs/dbraw/zinc/76/39/71/1060763971.db2.gz YJHLZECLICXHRS-YLJYHZDGSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N(CCC#N)CCC(C)C)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001355958839 1060764730 /nfs/dbraw/zinc/76/47/30/1060764730.db2.gz UOTNXJCWVQMMTJ-PXNSSMCTSA-N 1 2 374.533 2.532 20 30 FFEDLO C=C(C)Cn1c(N(CCC#N)CCC(C)C)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001355958839 1060764743 /nfs/dbraw/zinc/76/47/43/1060764743.db2.gz UOTNXJCWVQMMTJ-PXNSSMCTSA-N 1 2 374.533 2.532 20 30 FFEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001459778505 1060816011 /nfs/dbraw/zinc/81/60/11/1060816011.db2.gz RNFONMDMVLBKGF-VXGBXAGGSA-N 1 2 351.385 2.953 20 30 FFEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001459778505 1060816030 /nfs/dbraw/zinc/81/60/30/1060816030.db2.gz RNFONMDMVLBKGF-VXGBXAGGSA-N 1 2 351.385 2.953 20 30 FFEDLO C[C@H](C#N)N(C)C(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001460493388 1061003508 /nfs/dbraw/zinc/00/35/08/1061003508.db2.gz BQOFCMPMWDSLQJ-IUODEOHRSA-N 1 2 350.260 2.956 20 30 FFEDLO N#Cc1sccc1S(=O)(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001475619364 1061169047 /nfs/dbraw/zinc/16/90/47/1061169047.db2.gz VABZNSYRZKPMHR-CQSZACIVSA-N 1 2 358.448 2.536 20 30 FFEDLO N#Cc1ccsc1NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001476828560 1061489227 /nfs/dbraw/zinc/48/92/27/1061489227.db2.gz UGRJWWBMMQBWRP-KRWDZBQOSA-N 1 2 370.478 2.685 20 30 FFEDLO C=C(C)CCC(=O)N1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001527840400 1061648476 /nfs/dbraw/zinc/64/84/76/1061648476.db2.gz SFKWCWUINHJWRL-GVDBMIGSSA-N 1 2 358.486 2.757 20 30 FFEDLO C=C(C)CCC(=O)N1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001527840400 1061648487 /nfs/dbraw/zinc/64/84/87/1061648487.db2.gz SFKWCWUINHJWRL-GVDBMIGSSA-N 1 2 358.486 2.757 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC001528255451 1061829949 /nfs/dbraw/zinc/82/99/49/1061829949.db2.gz UVFIEBPCPXMGIS-KBXCAEBGSA-N 1 2 366.456 2.517 20 30 FFEDLO Cc1nnc(N(CCC#N)CCC(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001492790012 1062218094 /nfs/dbraw/zinc/21/80/94/1062218094.db2.gz QONYUVWHKIAVFP-UHFFFAOYSA-N 1 2 355.490 2.862 20 30 FFEDLO CC[C@H]1C[C@H](C)CN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CCOC ZINC001523616919 1062547354 /nfs/dbraw/zinc/54/73/54/1062547354.db2.gz JFECAWNYPAROGG-WMZOPIPTSA-N 1 2 374.533 2.642 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCO[C@@H](CC)C1 ZINC001523990502 1062679772 /nfs/dbraw/zinc/67/97/72/1062679772.db2.gz GHHJMTPTQIUVLV-SFHVURJKSA-N 1 2 372.517 2.562 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc3ccccc3c2)[C@@H]1C ZINC001479701678 1062829593 /nfs/dbraw/zinc/82/95/93/1062829593.db2.gz LVAJYVUQGJZUJY-CLCXKQKWSA-N 1 2 364.449 2.517 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc3ccccc3c2)[C@@H]1C ZINC001479701678 1062829620 /nfs/dbraw/zinc/82/96/20/1062829620.db2.gz LVAJYVUQGJZUJY-CLCXKQKWSA-N 1 2 364.449 2.517 20 30 FFEDLO CCc1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001498582997 1063830635 /nfs/dbraw/zinc/83/06/35/1063830635.db2.gz QKLMOAKYXSBBTH-HNNXBMFYSA-N 1 2 355.490 2.868 20 30 FFEDLO N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CC[NH+](Cc3ccsc3)CC1)C2 ZINC001471142733 1064575652 /nfs/dbraw/zinc/57/56/52/1064575652.db2.gz CEWXLVPTYLGXHD-LJQANCHMSA-N 1 2 366.490 2.614 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCc2cnn[nH]2)CC1 ZINC001575073822 1078102895 /nfs/dbraw/zinc/10/28/95/1078102895.db2.gz RRKXNFLLTOBQOJ-ICSRJNTNSA-N 1 2 359.518 2.653 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CCC([C@@H]2CCC[N@H+]2CCc2cnn[nH]2)CC1 ZINC001575073822 1078102897 /nfs/dbraw/zinc/10/28/97/1078102897.db2.gz RRKXNFLLTOBQOJ-ICSRJNTNSA-N 1 2 359.518 2.653 20 30 FFEDLO O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(O)Cc1ccccc1Cl ZINC001472620083 1065112697 /nfs/dbraw/zinc/11/26/97/1065112697.db2.gz NYWOWPSVTSHCKT-GOSISDBHSA-N 1 2 360.841 2.959 20 30 FFEDLO O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(O)Cc1ccccc1Cl ZINC001472620083 1065112702 /nfs/dbraw/zinc/11/27/02/1065112702.db2.gz NYWOWPSVTSHCKT-GOSISDBHSA-N 1 2 360.841 2.959 20 30 FFEDLO N#Cc1ccc(SCC(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)cc1 ZINC001558211313 1075961573 /nfs/dbraw/zinc/96/15/73/1075961573.db2.gz CCHYQIWMNGKZCO-SFHVURJKSA-N 1 2 355.438 2.963 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc(-c3c(F)cccc3F)s2)C1 ZINC001558328895 1075982787 /nfs/dbraw/zinc/98/27/87/1075982787.db2.gz HIAWFSKFLFHPOV-GFCCVEGCSA-N 1 2 361.417 2.916 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(-c3c(F)cccc3F)s2)C1 ZINC001558328895 1075982791 /nfs/dbraw/zinc/98/27/91/1075982791.db2.gz HIAWFSKFLFHPOV-GFCCVEGCSA-N 1 2 361.417 2.916 20 30 FFEDLO N#Cc1cncc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c1 ZINC001558451786 1076009258 /nfs/dbraw/zinc/00/92/58/1076009258.db2.gz ZVBCRSCZGZZWDB-SFHVURJKSA-N 1 2 354.841 2.887 20 30 FFEDLO N#Cc1cncc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c1 ZINC001558451786 1076009261 /nfs/dbraw/zinc/00/92/61/1076009261.db2.gz ZVBCRSCZGZZWDB-SFHVURJKSA-N 1 2 354.841 2.887 20 30 FFEDLO C=CC[C@H](CO)Nc1[nH+]cnc2c1cnn2-c1cccc(Br)c1 ZINC001559178318 1076132536 /nfs/dbraw/zinc/13/25/36/1076132536.db2.gz IAKAGLNFNADYDE-GFCCVEGCSA-N 1 2 374.242 2.927 20 30 FFEDLO COC(=O)C[N@H+](C1CCCCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001559984340 1076210368 /nfs/dbraw/zinc/21/03/68/1076210368.db2.gz AQBIJPOXJKUZLT-IBGZPJMESA-N 1 2 369.465 2.861 20 30 FFEDLO COC(=O)C[N@@H+](C1CCCCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001559984340 1076210369 /nfs/dbraw/zinc/21/03/69/1076210369.db2.gz AQBIJPOXJKUZLT-IBGZPJMESA-N 1 2 369.465 2.861 20 30 FFEDLO N#Cc1cccc([C@@H](O)CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1 ZINC001560043531 1076216512 /nfs/dbraw/zinc/21/65/12/1076216512.db2.gz CASAHSIUDJXIFJ-QFIPXVFZSA-N 1 2 360.461 2.891 20 30 FFEDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001560077199 1076222801 /nfs/dbraw/zinc/22/28/01/1076222801.db2.gz DFRMZTAQCBMUMI-UHFFFAOYSA-N 1 2 352.394 2.797 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001560093348 1076225312 /nfs/dbraw/zinc/22/53/12/1076225312.db2.gz BMRISHGPYPMRIN-KUHUBIRLSA-N 1 2 354.491 2.977 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001560093348 1076225314 /nfs/dbraw/zinc/22/53/14/1076225314.db2.gz BMRISHGPYPMRIN-KUHUBIRLSA-N 1 2 354.491 2.977 20 30 FFEDLO C=CCOCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC001567810112 1077053931 /nfs/dbraw/zinc/05/39/31/1077053931.db2.gz KCIKIIWDGLSTDK-LEWJYISDSA-N 1 2 350.462 2.946 20 30 FFEDLO C=CCC1(C(=O)N(C)C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001571720164 1077263580 /nfs/dbraw/zinc/26/35/80/1077263580.db2.gz JAEQNGRQRJHAHL-GVDBMIGSSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCC1(C(=O)N(C)C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001571720164 1077263584 /nfs/dbraw/zinc/26/35/84/1077263584.db2.gz JAEQNGRQRJHAHL-GVDBMIGSSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@@H]3CCN(C(=O)C[C@@H](C)n4cc[nH+]c4)[C@@H]3C2)CC1 ZINC001572778531 1077366092 /nfs/dbraw/zinc/36/60/92/1077366092.db2.gz KRQZTDFFBZUPNI-FGTMMUONSA-N 1 2 370.497 2.640 20 30 FFEDLO C#CCN(CC)c1nnc(CC(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001588399748 1080010946 /nfs/dbraw/zinc/01/09/46/1080010946.db2.gz RPNFGPJTEDMQHF-UHFFFAOYSA-N 1 2 354.502 2.836 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2C[C@@H](C)Oc2ccccc2)CC1 ZINC001588743310 1080178542 /nfs/dbraw/zinc/17/85/42/1080178542.db2.gz ZHXYBQQPJXVLCY-GOSISDBHSA-N 1 2 367.497 2.624 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2CCCCOC(C)C)CC1 ZINC001588812789 1080205477 /nfs/dbraw/zinc/20/54/77/1080205477.db2.gz UINUZYJJGNFGOF-UHFFFAOYSA-N 1 2 373.545 2.896 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2CCOCCC(C)C)CC1 ZINC001588811484 1080205492 /nfs/dbraw/zinc/20/54/92/1080205492.db2.gz KEHKRNSAQNGSPF-UHFFFAOYSA-N 1 2 373.545 2.754 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2CC(C)(C)OCC)CC1 ZINC001588811959 1080205535 /nfs/dbraw/zinc/20/55/35/1080205535.db2.gz NOFLNPRLQUZUSH-UHFFFAOYSA-N 1 2 359.518 2.506 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2[C@H]2C[C@@H]2C)CC1 ZINC001588836385 1080212933 /nfs/dbraw/zinc/21/29/33/1080212933.db2.gz IMZPCXCBQLBVPI-YJBOKZPZSA-N 1 2 369.900 2.858 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2[C@@H]2C[C@@H]2C)CC1 ZINC001588836383 1080213375 /nfs/dbraw/zinc/21/33/75/1080213375.db2.gz IMZPCXCBQLBVPI-MAUKXSAKSA-N 1 2 369.900 2.858 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCCC)CC1 ZINC001588849095 1080217380 /nfs/dbraw/zinc/21/73/80/1080217380.db2.gz YTHCRMOKWSFPFA-UHFFFAOYSA-N 1 2 355.461 2.563 20 30 FFEDLO COC1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000053897707 205196506 /nfs/dbraw/zinc/19/65/06/205196506.db2.gz CTZKUGLVVLKMMG-UHFFFAOYSA-N 1 2 370.453 2.667 20 30 FFEDLO C[C@H](CCO)[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000093304369 250028004 /nfs/dbraw/zinc/02/80/04/250028004.db2.gz VPIJODSXLRIXLH-QGZVFWFLSA-N 1 2 372.490 2.605 20 30 FFEDLO C[C@H](CCO)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000093304369 250028006 /nfs/dbraw/zinc/02/80/06/250028006.db2.gz VPIJODSXLRIXLH-QGZVFWFLSA-N 1 2 372.490 2.605 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCN(c4cccc(O)c4)CC3)o2)cc1 ZINC000173508258 251195162 /nfs/dbraw/zinc/19/51/62/251195162.db2.gz XADMPIQERLCDPO-UHFFFAOYSA-N 1 2 361.405 2.636 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](O)[C@H](C)C2)c1C#N ZINC000186838395 251273900 /nfs/dbraw/zinc/27/39/00/251273900.db2.gz IYIZZHFUIDWDKG-KUHUBIRLSA-N 1 2 366.465 2.607 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@H](O)[C@H](C)C2)c1C#N ZINC000186838395 251273903 /nfs/dbraw/zinc/27/39/03/251273903.db2.gz IYIZZHFUIDWDKG-KUHUBIRLSA-N 1 2 366.465 2.607 20 30 FFEDLO Cn1ncc(Cl)c1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000275692885 256039010 /nfs/dbraw/zinc/03/90/10/256039010.db2.gz JFDADJUIAIGSTQ-UHFFFAOYSA-N 1 2 357.845 2.796 20 30 FFEDLO Cn1cc(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1C#N ZINC000276966495 256146938 /nfs/dbraw/zinc/14/69/38/256146938.db2.gz PSGSWZOSBMHHOL-KRWDZBQOSA-N 1 2 355.442 2.901 20 30 FFEDLO Cn1cc(C[N@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1C#N ZINC000276966495 256146940 /nfs/dbraw/zinc/14/69/40/256146940.db2.gz PSGSWZOSBMHHOL-KRWDZBQOSA-N 1 2 355.442 2.901 20 30 FFEDLO N#Cc1sc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)nc1Cl ZINC000278725818 256342107 /nfs/dbraw/zinc/34/21/07/256342107.db2.gz PNBCKPAGNPHAMM-UHFFFAOYSA-N 1 2 358.858 2.638 20 30 FFEDLO CNC(=O)COc1ccc([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000286121744 257021299 /nfs/dbraw/zinc/02/12/99/257021299.db2.gz NQQYXMPUANBFBK-UHFFFAOYSA-N 1 2 364.449 2.764 20 30 FFEDLO N#Cc1ccc(N2CCC([NH2+]c3ccc(OCCC(N)=O)cc3)CC2)cc1 ZINC000286329711 257031367 /nfs/dbraw/zinc/03/13/67/257031367.db2.gz YJEVRPRUSRKRII-UHFFFAOYSA-N 1 2 364.449 2.893 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccn1 ZINC000287253502 257079804 /nfs/dbraw/zinc/07/98/04/257079804.db2.gz GYWBGZBQVYRIRZ-UHFFFAOYSA-N 1 2 358.829 2.694 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccn1 ZINC000287253502 257079805 /nfs/dbraw/zinc/07/98/05/257079805.db2.gz GYWBGZBQVYRIRZ-UHFFFAOYSA-N 1 2 358.829 2.694 20 30 FFEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3nccn3C)sc2C1 ZINC000299695266 258017227 /nfs/dbraw/zinc/01/72/27/258017227.db2.gz OGVYRYVZEMRIMU-ZDUSSCGKSA-N 1 2 371.510 2.939 20 30 FFEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3nccn3C)sc2C1 ZINC000299695266 258017228 /nfs/dbraw/zinc/01/72/28/258017228.db2.gz OGVYRYVZEMRIMU-ZDUSSCGKSA-N 1 2 371.510 2.939 20 30 FFEDLO COc1ccc(F)cc1C[NH+]1CCN(c2nc3ccccn3c2C#N)CC1 ZINC000302113392 258088684 /nfs/dbraw/zinc/08/86/84/258088684.db2.gz VESDGOLICJNCHP-UHFFFAOYSA-N 1 2 365.412 2.676 20 30 FFEDLO N#Cc1ccnc(NCc2cn3cc(Br)ccc3[nH+]2)c1[N+](=O)[O-] ZINC000301628100 258059446 /nfs/dbraw/zinc/05/94/46/258059446.db2.gz IAHSETLDPXGUOF-UHFFFAOYSA-N 1 2 373.170 2.884 20 30 FFEDLO N#Cc1ccc(Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)nn1 ZINC000301925536 258075599 /nfs/dbraw/zinc/07/55/99/258075599.db2.gz MNHKTIFMLGFKRG-UHFFFAOYSA-N 1 2 363.450 2.676 20 30 FFEDLO Cc1nc(C#N)c(N2CCC(C(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)CC2)o1 ZINC000329947692 258151541 /nfs/dbraw/zinc/15/15/41/258151541.db2.gz YNMKISATWFHPNA-INIZCTEOSA-N 1 2 368.441 2.548 20 30 FFEDLO CCN1CC[N@H+](Cc2cc(C#N)ccc2Br)C[C@@H]1c1ncc[nH]1 ZINC000332388749 258228291 /nfs/dbraw/zinc/22/82/91/258228291.db2.gz YUUFUAXOMJVKBF-MRXNPFEDSA-N 1 2 374.286 2.923 20 30 FFEDLO CCN1CC[N@@H+](Cc2cc(C#N)ccc2Br)C[C@@H]1c1ncc[nH]1 ZINC000332388749 258228292 /nfs/dbraw/zinc/22/82/92/258228292.db2.gz YUUFUAXOMJVKBF-MRXNPFEDSA-N 1 2 374.286 2.923 20 30 FFEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC(=O)[C@H](C)C3)sc2C1 ZINC000333122230 258251177 /nfs/dbraw/zinc/25/11/77/258251177.db2.gz IIVVTARTAPNRFE-CHWSQXEVSA-N 1 2 359.495 2.984 20 30 FFEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC(=O)[C@H](C)C3)sc2C1 ZINC000333122230 258251178 /nfs/dbraw/zinc/25/11/78/258251178.db2.gz IIVVTARTAPNRFE-CHWSQXEVSA-N 1 2 359.495 2.984 20 30 FFEDLO COc1cccc([C@H](NC(=O)c2ccc(F)c(C#N)c2)c2[nH+]ccn2C)c1 ZINC000375187698 512203226 /nfs/dbraw/zinc/20/32/26/512203226.db2.gz KGFUODBIQPPMMM-SFHVURJKSA-N 1 2 364.380 2.959 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000373200712 512218842 /nfs/dbraw/zinc/21/88/42/512218842.db2.gz HJTXHARNHCUDGS-VLIAUNLRSA-N 1 2 353.397 2.618 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000373200712 512218844 /nfs/dbraw/zinc/21/88/44/512218844.db2.gz HJTXHARNHCUDGS-VLIAUNLRSA-N 1 2 353.397 2.618 20 30 FFEDLO N#Cc1ccc(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)cn1 ZINC000373220167 512226439 /nfs/dbraw/zinc/22/64/39/512226439.db2.gz YVEUBROHLJVRNS-UHFFFAOYSA-N 1 2 357.417 2.591 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1OC ZINC000054235223 506521971 /nfs/dbraw/zinc/52/19/71/506521971.db2.gz OAUMHHJOAVILHF-UHFFFAOYSA-N 1 2 367.449 2.613 20 30 FFEDLO CCCc1nc(CO[NH+]=C(N)c2cccc(OCc3cccnc3)c2)no1 ZINC000067099167 506757656 /nfs/dbraw/zinc/75/76/56/506757656.db2.gz VOJKVNIFROELNF-UHFFFAOYSA-N 1 2 367.409 2.833 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000055816852 506858347 /nfs/dbraw/zinc/85/83/47/506858347.db2.gz AQJOXVCMMRDNSY-MRXNPFEDSA-N 1 2 365.433 2.796 20 30 FFEDLO C=CCOc1ccc(C(=O)NCCc2cn3ccccc3[nH+]2)cc1OC ZINC000012668960 506888356 /nfs/dbraw/zinc/88/83/56/506888356.db2.gz XMNIRMPDTJFWLP-UHFFFAOYSA-N 1 2 351.406 2.880 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H](O)COCc3ccccc3)CCO2)c1 ZINC000371290861 512309906 /nfs/dbraw/zinc/30/99/06/512309906.db2.gz FUMYLCSFLGIPNQ-LEWJYISDSA-N 1 2 352.434 2.509 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H](O)COCc3ccccc3)CCO2)c1 ZINC000371290861 512309911 /nfs/dbraw/zinc/30/99/11/512309911.db2.gz FUMYLCSFLGIPNQ-LEWJYISDSA-N 1 2 352.434 2.509 20 30 FFEDLO C=CCNC(=O)C[NH+]1CCN(Cc2csc(-c3ccc(C)cc3)n2)CC1 ZINC000045606826 506988441 /nfs/dbraw/zinc/98/84/41/506988441.db2.gz PIGQTKSGFHYRSL-UHFFFAOYSA-N 1 2 370.522 2.538 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)NCc2cn3ccc(C)cc3[nH+]2)cc1 ZINC000056638904 507063275 /nfs/dbraw/zinc/06/32/75/507063275.db2.gz UQSUZSYGGYENNJ-UHFFFAOYSA-N 1 2 363.421 2.880 20 30 FFEDLO C[C@@H](Oc1ccc(F)cc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000017843188 507130462 /nfs/dbraw/zinc/13/04/62/507130462.db2.gz CXERTGJKMGOQLS-MRXNPFEDSA-N 1 2 367.424 2.809 20 30 FFEDLO COc1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc(OC)c1O ZINC000377550393 512322219 /nfs/dbraw/zinc/32/22/19/512322219.db2.gz PBIQXECKCCRMLA-LJQANCHMSA-N 1 2 354.406 2.855 20 30 FFEDLO COc1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc(OC)c1O ZINC000377550393 512322220 /nfs/dbraw/zinc/32/22/20/512322220.db2.gz PBIQXECKCCRMLA-LJQANCHMSA-N 1 2 354.406 2.855 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000046780698 507194294 /nfs/dbraw/zinc/19/42/94/507194294.db2.gz CWSOMBSMJQGUTF-UHFFFAOYSA-N 1 2 368.437 2.503 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NCc3ccccc3)CC2)cc1Cl ZINC000068428724 507227704 /nfs/dbraw/zinc/22/77/04/507227704.db2.gz JURPRDZDANZBFS-UHFFFAOYSA-N 1 2 368.868 2.650 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000047031360 507253194 /nfs/dbraw/zinc/25/31/94/507253194.db2.gz YHVFEUILKFAUSO-QGZVFWFLSA-N 1 2 359.451 2.657 20 30 FFEDLO CCc1ccccc1NC(=O)C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000057405952 507256997 /nfs/dbraw/zinc/25/69/97/507256997.db2.gz XUJNGZLIWMFXLH-MRXNPFEDSA-N 1 2 370.497 2.850 20 30 FFEDLO CCc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000057405952 507257005 /nfs/dbraw/zinc/25/70/05/507257005.db2.gz XUJNGZLIWMFXLH-MRXNPFEDSA-N 1 2 370.497 2.850 20 30 FFEDLO C[C@H](NC(=O)C[NH+]1CCC(C#N)CC1)c1ccc(Br)cc1 ZINC000057907081 507350637 /nfs/dbraw/zinc/35/06/37/507350637.db2.gz UIICBPMYOHOWCG-LBPRGKRZSA-N 1 2 350.260 2.862 20 30 FFEDLO CCN1C[C@@H](C[N@H+](C)CC(=O)Nc2sccc2C#N)Oc2ccccc21 ZINC000058289134 507400368 /nfs/dbraw/zinc/40/03/68/507400368.db2.gz GCQRRRNLSYCGHO-OAHLLOKOSA-N 1 2 370.478 2.778 20 30 FFEDLO CCN1C[C@@H](C[N@@H+](C)CC(=O)Nc2sccc2C#N)Oc2ccccc21 ZINC000058289134 507400375 /nfs/dbraw/zinc/40/03/75/507400375.db2.gz GCQRRRNLSYCGHO-OAHLLOKOSA-N 1 2 370.478 2.778 20 30 FFEDLO CC[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000048041502 507439493 /nfs/dbraw/zinc/43/94/93/507439493.db2.gz VQKPKQQRCQTXIS-INIZCTEOSA-N 1 2 358.461 2.610 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c(C#N)c1C ZINC000375463811 512342099 /nfs/dbraw/zinc/34/20/99/512342099.db2.gz GGLDVBLPBNTQQD-FZMZJTMJSA-N 1 2 369.425 2.845 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c(C#N)c1C ZINC000375463811 512342101 /nfs/dbraw/zinc/34/21/01/512342101.db2.gz GGLDVBLPBNTQQD-FZMZJTMJSA-N 1 2 369.425 2.845 20 30 FFEDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1C ZINC000060480960 507550902 /nfs/dbraw/zinc/55/09/02/507550902.db2.gz QEDATEUIMGLPJP-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO C[C@H]1CCc2c(C(=O)N(CCC#N)CC[NH+]3CCOCC3)csc2C1 ZINC000060634143 507570221 /nfs/dbraw/zinc/57/02/21/507570221.db2.gz RBLZCXJHJJHTLV-HNNXBMFYSA-N 1 2 361.511 2.561 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1c(Cl)cccc1Cl ZINC000060633801 507571501 /nfs/dbraw/zinc/57/15/01/507571501.db2.gz XNHHRKYJIGOQIZ-UHFFFAOYSA-N 1 2 370.280 2.610 20 30 FFEDLO N#Cc1ccc(CCC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000027147093 507634253 /nfs/dbraw/zinc/63/42/53/507634253.db2.gz AYIZHAQNOISGBS-OAQYLSRUSA-N 1 2 363.461 2.681 20 30 FFEDLO COc1ccc(C#N)cc1NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000050108287 507661551 /nfs/dbraw/zinc/66/15/51/507661551.db2.gz KXTPBNXVQCGRKX-UHFFFAOYSA-N 1 2 351.410 2.884 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CCC(=O)N3CCc4ccccc43)CC2)cc1 ZINC000028879619 507747787 /nfs/dbraw/zinc/74/77/87/507747787.db2.gz ZHQXHZHTEOULER-UHFFFAOYSA-N 1 2 374.488 2.655 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000029028674 507755660 /nfs/dbraw/zinc/75/56/60/507755660.db2.gz NYAVCAVTZVCNHI-UHFFFAOYSA-N 1 2 373.453 2.594 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000029028674 507755661 /nfs/dbraw/zinc/75/56/61/507755661.db2.gz NYAVCAVTZVCNHI-UHFFFAOYSA-N 1 2 373.453 2.594 20 30 FFEDLO COCC[N@H+](CC(=O)NCCc1ccccc1C)Cc1ccc(C#N)cc1 ZINC000063754214 507767775 /nfs/dbraw/zinc/76/77/75/507767775.db2.gz XAFIUGBCGRWQMW-UHFFFAOYSA-N 1 2 365.477 2.674 20 30 FFEDLO COCC[N@@H+](CC(=O)NCCc1ccccc1C)Cc1ccc(C#N)cc1 ZINC000063754214 507767781 /nfs/dbraw/zinc/76/77/81/507767781.db2.gz XAFIUGBCGRWQMW-UHFFFAOYSA-N 1 2 365.477 2.674 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000029777908 507790378 /nfs/dbraw/zinc/79/03/78/507790378.db2.gz JPMVORYIENEZFM-OAHLLOKOSA-N 1 2 355.463 2.731 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)c(F)c1 ZINC000064353144 507792431 /nfs/dbraw/zinc/79/24/31/507792431.db2.gz OIEZHIFPNVSVSI-UHFFFAOYSA-N 1 2 373.453 2.594 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)c(F)c1 ZINC000064353144 507792434 /nfs/dbraw/zinc/79/24/34/507792434.db2.gz OIEZHIFPNVSVSI-UHFFFAOYSA-N 1 2 373.453 2.594 20 30 FFEDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857057 507793980 /nfs/dbraw/zinc/79/39/80/507793980.db2.gz OIMKGDSSSFERAF-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccn(-c4cccc(F)c4)n3)CC2)c1 ZINC000064556201 507802540 /nfs/dbraw/zinc/80/25/40/507802540.db2.gz IZHGXOTXDRQSFY-UHFFFAOYSA-N 1 2 362.412 2.600 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNc3ccc(C#N)cc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000052245540 507803985 /nfs/dbraw/zinc/80/39/85/507803985.db2.gz PFZSJHFOVQEMKL-CYBMUJFWSA-N 1 2 353.382 2.699 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000064638536 507805901 /nfs/dbraw/zinc/80/59/01/507805901.db2.gz PQTXVMSAMYJXEN-BXUZGUMPSA-N 1 2 357.414 2.666 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000064638536 507805903 /nfs/dbraw/zinc/80/59/03/507805903.db2.gz PQTXVMSAMYJXEN-BXUZGUMPSA-N 1 2 357.414 2.666 20 30 FFEDLO C[C@@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)N(C)CCC#N ZINC000052430427 507808670 /nfs/dbraw/zinc/80/86/70/507808670.db2.gz UNKWPFODCRDDPG-CYBMUJFWSA-N 1 2 366.450 2.668 20 30 FFEDLO CC[C@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCS1 ZINC000072862779 507866079 /nfs/dbraw/zinc/86/60/79/507866079.db2.gz DXELXAWHXJXECT-INIZCTEOSA-N 1 2 355.467 2.510 20 30 FFEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCS1 ZINC000072862779 507866080 /nfs/dbraw/zinc/86/60/80/507866080.db2.gz DXELXAWHXJXECT-INIZCTEOSA-N 1 2 355.467 2.510 20 30 FFEDLO COC(=O)c1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2C#N)oc1C ZINC000073105310 507894353 /nfs/dbraw/zinc/89/43/53/507894353.db2.gz HLIFWBXMQMWGAW-LBPRGKRZSA-N 1 2 355.394 2.705 20 30 FFEDLO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2C#N)oc1C ZINC000073105310 507894354 /nfs/dbraw/zinc/89/43/54/507894354.db2.gz HLIFWBXMQMWGAW-LBPRGKRZSA-N 1 2 355.394 2.705 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](CCOc2ccc(F)cc2Cl)CC1 ZINC000091728640 508005767 /nfs/dbraw/zinc/00/57/67/508005767.db2.gz GEOSEBKAENREHV-UHFFFAOYSA-N 1 2 360.820 2.947 20 30 FFEDLO N#CCSc1cccc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000080022935 508027766 /nfs/dbraw/zinc/02/77/66/508027766.db2.gz VFFXCRYOHDXBGL-UHFFFAOYSA-N 1 2 367.474 2.966 20 30 FFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000111208247 508077807 /nfs/dbraw/zinc/07/78/07/508077807.db2.gz TZIPZRISVZGRAQ-AWEZNQCLSA-N 1 2 357.332 2.746 20 30 FFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000111208247 508077805 /nfs/dbraw/zinc/07/78/05/508077805.db2.gz TZIPZRISVZGRAQ-AWEZNQCLSA-N 1 2 357.332 2.746 20 30 FFEDLO CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000080908468 508110689 /nfs/dbraw/zinc/11/06/89/508110689.db2.gz KPYHSXGPHUDSBD-ICSRJNTNSA-N 1 2 356.514 2.762 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccn(-c4ccc(F)cc4)n3)CC2)c1 ZINC000075637016 508124107 /nfs/dbraw/zinc/12/41/07/508124107.db2.gz XAORFWZIMWQPEJ-UHFFFAOYSA-N 1 2 362.412 2.600 20 30 FFEDLO C=C(C)COc1cc(C[N@H+](CCS(C)(=O)=O)C(C)C)ccc1OC ZINC000093708374 508152768 /nfs/dbraw/zinc/15/27/68/508152768.db2.gz WLMRAPHRZKCOMF-UHFFFAOYSA-N 1 2 355.500 2.905 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+](CCS(C)(=O)=O)C(C)C)ccc1OC ZINC000093708374 508152771 /nfs/dbraw/zinc/15/27/71/508152771.db2.gz WLMRAPHRZKCOMF-UHFFFAOYSA-N 1 2 355.500 2.905 20 30 FFEDLO N#Cc1ccc(OCc2ccc(C(=O)N3CC[NH+](C4CC4)CC3)o2)cc1 ZINC000076204834 508169579 /nfs/dbraw/zinc/16/95/79/508169579.db2.gz XAVVZGPMERXKRM-UHFFFAOYSA-N 1 2 351.406 2.650 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000076227428 508172565 /nfs/dbraw/zinc/17/25/65/508172565.db2.gz MLWAETSQRMAGKZ-UHFFFAOYSA-N 1 2 363.461 2.844 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c(C#N)c1C ZINC000377660833 512382415 /nfs/dbraw/zinc/38/24/15/512382415.db2.gz ACYVFVRGQKCBFK-GOEBONIOSA-N 1 2 372.469 2.572 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c(C#N)c1C ZINC000377660833 512382420 /nfs/dbraw/zinc/38/24/20/512382420.db2.gz ACYVFVRGQKCBFK-GOEBONIOSA-N 1 2 372.469 2.572 20 30 FFEDLO N#CCC[N@@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)CC1CC1 ZINC000081514648 508184246 /nfs/dbraw/zinc/18/42/46/508184246.db2.gz TVVNMABLRGBVPI-UHFFFAOYSA-N 1 2 355.360 2.827 20 30 FFEDLO N#CCC[N@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)CC1CC1 ZINC000081514648 508184247 /nfs/dbraw/zinc/18/42/47/508184247.db2.gz TVVNMABLRGBVPI-UHFFFAOYSA-N 1 2 355.360 2.827 20 30 FFEDLO COc1ccccc1C[C@H](C)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081515573 508184696 /nfs/dbraw/zinc/18/46/96/508184696.db2.gz SBUFYNVIRNAERT-INIZCTEOSA-N 1 2 372.490 2.904 20 30 FFEDLO COc1ccccc1C[C@H](C)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081515573 508184697 /nfs/dbraw/zinc/18/46/97/508184697.db2.gz SBUFYNVIRNAERT-INIZCTEOSA-N 1 2 372.490 2.904 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc(Br)s1 ZINC000076607278 508230957 /nfs/dbraw/zinc/23/09/57/508230957.db2.gz AJKAFPQYCPCYAZ-NSHDSACASA-N 1 2 358.305 2.951 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccc(Br)s1 ZINC000076607278 508230958 /nfs/dbraw/zinc/23/09/58/508230958.db2.gz AJKAFPQYCPCYAZ-NSHDSACASA-N 1 2 358.305 2.951 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cc(C#N)cs3)c[nH+]2)C[C@H](C)O1 ZINC000084083337 508264973 /nfs/dbraw/zinc/26/49/73/508264973.db2.gz WVZDFAKZWLPABC-BETUJISGSA-N 1 2 356.451 2.558 20 30 FFEDLO CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000105185858 508364461 /nfs/dbraw/zinc/36/44/61/508364461.db2.gz NQHDQBCBZYIFLE-INIZCTEOSA-N 1 2 357.454 2.597 20 30 FFEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105297893 508369021 /nfs/dbraw/zinc/36/90/21/508369021.db2.gz LLSCTWIARNTFPC-IAGOWNOFSA-N 1 2 361.486 2.502 20 30 FFEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115569708 508410472 /nfs/dbraw/zinc/41/04/72/508410472.db2.gz GSPMDRDUVYFKCO-IBGZPJMESA-N 1 2 362.433 2.624 20 30 FFEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115569708 508410478 /nfs/dbraw/zinc/41/04/78/508410478.db2.gz GSPMDRDUVYFKCO-IBGZPJMESA-N 1 2 362.433 2.624 20 30 FFEDLO N#Cc1cc(F)ccc1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000133931565 508469978 /nfs/dbraw/zinc/46/99/78/508469978.db2.gz VHBNRXIRSDMHDR-LJQANCHMSA-N 1 2 368.412 2.892 20 30 FFEDLO CCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C[C@H]1CCCCO1 ZINC000156899967 508494189 /nfs/dbraw/zinc/49/41/89/508494189.db2.gz YRLJRVQUKYUZLN-QGZVFWFLSA-N 1 2 350.484 2.613 20 30 FFEDLO CCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C[C@H]1CCCCO1 ZINC000156899967 508494192 /nfs/dbraw/zinc/49/41/92/508494192.db2.gz YRLJRVQUKYUZLN-QGZVFWFLSA-N 1 2 350.484 2.613 20 30 FFEDLO CC(C)Oc1cc(C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C2CC2)ccn1 ZINC000122377881 508525530 /nfs/dbraw/zinc/52/55/30/508525530.db2.gz OMINJYQVJPOFGT-FQEVSTJZSA-N 1 2 356.470 2.642 20 30 FFEDLO CC(C)Oc1cc(C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C2CC2)ccn1 ZINC000122377881 508525533 /nfs/dbraw/zinc/52/55/33/508525533.db2.gz OMINJYQVJPOFGT-FQEVSTJZSA-N 1 2 356.470 2.642 20 30 FFEDLO N#CCCN(C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000153236418 508561785 /nfs/dbraw/zinc/56/17/85/508561785.db2.gz JBHUKWDOCONTEW-UHFFFAOYSA-N 1 2 364.405 2.900 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000153236418 508561788 /nfs/dbraw/zinc/56/17/88/508561788.db2.gz JBHUKWDOCONTEW-UHFFFAOYSA-N 1 2 364.405 2.900 20 30 FFEDLO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000128550011 508610392 /nfs/dbraw/zinc/61/03/92/508610392.db2.gz NUBVTXKTJJFSCC-SFHVURJKSA-N 1 2 352.413 2.644 20 30 FFEDLO CCc1noc([C@H](C)O[NH+]=C(N)c2cccc(Cn3nc(C)cc3C)c2)n1 ZINC000123436022 508686348 /nfs/dbraw/zinc/68/63/48/508686348.db2.gz FCCXPRLACMADMX-AWEZNQCLSA-N 1 2 368.441 2.892 20 30 FFEDLO C#CCSCCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000158348091 508690846 /nfs/dbraw/zinc/69/08/46/508690846.db2.gz DLRUAIWZYNIAIZ-HOTGVXAUSA-N 1 2 361.511 2.784 20 30 FFEDLO C=CCNC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000158408741 508699990 /nfs/dbraw/zinc/69/99/90/508699990.db2.gz IBVKPLTZOCRXEI-HNNXBMFYSA-N 1 2 357.376 2.564 20 30 FFEDLO C[C@@H](CC#N)N(C)C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000136998677 508730958 /nfs/dbraw/zinc/73/09/58/508730958.db2.gz VVBOTEDEJAKGPQ-AWEZNQCLSA-N 1 2 352.438 2.917 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)s1 ZINC000119206123 508748596 /nfs/dbraw/zinc/74/85/96/508748596.db2.gz SYLGRLKNTZDTLZ-UHFFFAOYSA-N 1 2 361.492 2.516 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)s1 ZINC000119206123 508748600 /nfs/dbraw/zinc/74/86/00/508748600.db2.gz SYLGRLKNTZDTLZ-UHFFFAOYSA-N 1 2 361.492 2.516 20 30 FFEDLO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000129898739 508777802 /nfs/dbraw/zinc/77/78/02/508777802.db2.gz HRHPVBUZXUJCOI-HNNXBMFYSA-N 1 2 353.422 2.664 20 30 FFEDLO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000139479363 508790337 /nfs/dbraw/zinc/79/03/37/508790337.db2.gz KJFNIBKMOGMFBX-GOSISDBHSA-N 1 2 354.498 2.848 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000159471245 508846984 /nfs/dbraw/zinc/84/69/84/508846984.db2.gz PJUZZNFVIIBLMT-OXQOHEQNSA-N 1 2 360.477 2.559 20 30 FFEDLO COc1ccc2cc(CN(CCC#N)CC[NH+]3CCOCC3)ccc2c1 ZINC000154761428 508850379 /nfs/dbraw/zinc/85/03/79/508850379.db2.gz XIKUMFRDAIIQRR-UHFFFAOYSA-N 1 2 353.466 2.896 20 30 FFEDLO COc1ccc2cc(C[N@H+](CCC#N)CCN3CCOCC3)ccc2c1 ZINC000154761428 508850381 /nfs/dbraw/zinc/85/03/81/508850381.db2.gz XIKUMFRDAIIQRR-UHFFFAOYSA-N 1 2 353.466 2.896 20 30 FFEDLO COc1ccc2cc(C[N@@H+](CCC#N)CCN3CCOCC3)ccc2c1 ZINC000154761428 508850383 /nfs/dbraw/zinc/85/03/83/508850383.db2.gz XIKUMFRDAIIQRR-UHFFFAOYSA-N 1 2 353.466 2.896 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(-c2ccncc2)c1 ZINC000154808629 508859478 /nfs/dbraw/zinc/85/94/78/508859478.db2.gz GKGYXGWPYUBLMT-UHFFFAOYSA-N 1 2 350.466 2.796 20 30 FFEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1cccc(-c2ccncc2)c1 ZINC000154808629 508859480 /nfs/dbraw/zinc/85/94/80/508859480.db2.gz GKGYXGWPYUBLMT-UHFFFAOYSA-N 1 2 350.466 2.796 20 30 FFEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1cccc(-c2ccncc2)c1 ZINC000154808629 508859482 /nfs/dbraw/zinc/85/94/82/508859482.db2.gz GKGYXGWPYUBLMT-UHFFFAOYSA-N 1 2 350.466 2.796 20 30 FFEDLO Cc1cccc(NC(=O)CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)c1 ZINC000119869676 508880467 /nfs/dbraw/zinc/88/04/67/508880467.db2.gz IAQHBMMZWNUBSB-UHFFFAOYSA-N 1 2 367.453 2.656 20 30 FFEDLO N#CCCn1cc(C(=O)CSCC[NH+]2CCOCC2)c2ccccc21 ZINC000159759842 508886431 /nfs/dbraw/zinc/88/64/31/508886431.db2.gz WKHRQRKMBSPKTD-UHFFFAOYSA-N 1 2 357.479 2.803 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000131201945 508899641 /nfs/dbraw/zinc/89/96/41/508899641.db2.gz WOIFTYYWTMDICL-ZDUSSCGKSA-N 1 2 362.499 2.605 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000131201945 508899645 /nfs/dbraw/zinc/89/96/45/508899645.db2.gz WOIFTYYWTMDICL-ZDUSSCGKSA-N 1 2 362.499 2.605 20 30 FFEDLO C[C@@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cn(-c2ccccc2)nn1 ZINC000151257871 508988322 /nfs/dbraw/zinc/98/83/22/508988322.db2.gz USJAIOPXLAVNSA-BEFAXECRSA-N 1 2 372.432 2.595 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(Br)cc1 ZINC000155520736 509018374 /nfs/dbraw/zinc/01/83/74/509018374.db2.gz KQCHGSGLGCGAEC-ZDUSSCGKSA-N 1 2 372.270 2.821 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(Br)cc1 ZINC000155520736 509018376 /nfs/dbraw/zinc/01/83/76/509018376.db2.gz KQCHGSGLGCGAEC-ZDUSSCGKSA-N 1 2 372.270 2.821 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000151738273 509074545 /nfs/dbraw/zinc/07/45/45/509074545.db2.gz PYCXAYSYMGQQHK-FUHWJXTLSA-N 1 2 374.462 2.513 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000151738273 509074548 /nfs/dbraw/zinc/07/45/48/509074548.db2.gz PYCXAYSYMGQQHK-FUHWJXTLSA-N 1 2 374.462 2.513 20 30 FFEDLO CCOC(=O)Nc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1C#N ZINC000161245317 509091618 /nfs/dbraw/zinc/09/16/18/509091618.db2.gz LNGPUJCNPWWHKZ-LBPRGKRZSA-N 1 2 353.382 2.524 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC([C@H](O)C(F)(F)F)CC3)o2)cc1 ZINC000161268539 509094684 /nfs/dbraw/zinc/09/46/84/509094684.db2.gz XEARWZNIYBPNBA-HNNXBMFYSA-N 1 2 366.343 2.743 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCS[C@@H](c3ccccc3)C2)nc1 ZINC000367302005 512432799 /nfs/dbraw/zinc/43/27/99/512432799.db2.gz SXLBUYKHKXDSQS-QGZVFWFLSA-N 1 2 373.503 2.517 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCS[C@@H](c3ccccc3)C2)nc1 ZINC000367302005 512432801 /nfs/dbraw/zinc/43/28/01/512432801.db2.gz SXLBUYKHKXDSQS-QGZVFWFLSA-N 1 2 373.503 2.517 20 30 FFEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000121041462 509116534 /nfs/dbraw/zinc/11/65/34/509116534.db2.gz REQSEDCFKGGAEM-UHFFFAOYSA-N 1 2 365.462 2.894 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OC)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000121159486 509141799 /nfs/dbraw/zinc/14/17/99/509141799.db2.gz GSKMUYFYQOJUOW-CYBMUJFWSA-N 1 2 374.300 2.633 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OC)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000121159486 509141803 /nfs/dbraw/zinc/14/18/03/509141803.db2.gz GSKMUYFYQOJUOW-CYBMUJFWSA-N 1 2 374.300 2.633 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000121400744 509172217 /nfs/dbraw/zinc/17/22/17/509172217.db2.gz UZFUTJQOANUFKV-NLFFAJNJSA-N 1 2 353.491 2.677 20 30 FFEDLO Cc1cccn2cc(COc3ccc(CN4CC(O)(CC#N)C4)cc3)[nH+]c12 ZINC000191913551 509244364 /nfs/dbraw/zinc/24/43/64/509244364.db2.gz VNPHLGUAKHHARR-UHFFFAOYSA-N 1 2 362.433 2.682 20 30 FFEDLO C=CCN(CCOC)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000188820480 509278742 /nfs/dbraw/zinc/27/87/42/509278742.db2.gz PJWVKNFEDHLPRC-OAHLLOKOSA-N 1 2 367.440 2.773 20 30 FFEDLO C=CCN(CCOC)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000188820480 509278751 /nfs/dbraw/zinc/27/87/51/509278751.db2.gz PJWVKNFEDHLPRC-OAHLLOKOSA-N 1 2 367.440 2.773 20 30 FFEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCCc3scnc3C)cn2)n1 ZINC000267013200 509306218 /nfs/dbraw/zinc/30/62/18/509306218.db2.gz AEUZSQVACWEXHJ-UHFFFAOYSA-N 1 2 356.455 2.529 20 30 FFEDLO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000267071418 509334804 /nfs/dbraw/zinc/33/48/04/509334804.db2.gz KZHGITFPDHXZEX-UHFFFAOYSA-N 1 2 351.397 2.872 20 30 FFEDLO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000267071418 509334813 /nfs/dbraw/zinc/33/48/13/509334813.db2.gz KZHGITFPDHXZEX-UHFFFAOYSA-N 1 2 351.397 2.872 20 30 FFEDLO C=C(C)[C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000248477024 509338875 /nfs/dbraw/zinc/33/88/75/509338875.db2.gz OKOQIIMSRIMRLZ-IYOUNJFTSA-N 1 2 367.440 2.990 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189071300 509397987 /nfs/dbraw/zinc/39/79/87/509397987.db2.gz RDLDRQREUHLIRB-WMZOPIPTSA-N 1 2 357.360 2.717 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189071300 509397995 /nfs/dbraw/zinc/39/79/95/509397995.db2.gz RDLDRQREUHLIRB-WMZOPIPTSA-N 1 2 357.360 2.717 20 30 FFEDLO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3c[nH]c(-c4ccccc4)n3)C2=O)cc1 ZINC000192242329 509423143 /nfs/dbraw/zinc/42/31/43/509423143.db2.gz DFXGNFOVDDKQLJ-FQEVSTJZSA-N 1 2 371.444 2.839 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1cc(C#N)ccc1C ZINC000192243658 509423896 /nfs/dbraw/zinc/42/38/96/509423896.db2.gz LUKGWECMBAPDLB-UHFFFAOYSA-N 1 2 360.483 2.727 20 30 FFEDLO COc1c(C)c[nH+]c(Cn2c(C)c(Br)cc(C#N)c2=O)c1C ZINC000185935776 509435825 /nfs/dbraw/zinc/43/58/25/509435825.db2.gz XHQRCFMWCYNEOB-UHFFFAOYSA-N 1 2 362.227 2.860 20 30 FFEDLO Cc1c(Br)cc(C#N)c(=O)n1Cc1[nH+]c2ccccc2n1C ZINC000185940326 509438361 /nfs/dbraw/zinc/43/83/61/509438361.db2.gz FLSMUBQCWOOJRX-UHFFFAOYSA-N 1 2 357.211 2.726 20 30 FFEDLO C=C[C@H](CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1ccccc1 ZINC000179461528 509455374 /nfs/dbraw/zinc/45/53/74/509455374.db2.gz VYFMPCCMDLTCIF-GOSISDBHSA-N 1 2 351.450 2.894 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(C(=O)C(F)(F)F)CC3)C2=O)cc1 ZINC000186060542 509504513 /nfs/dbraw/zinc/50/45/13/509504513.db2.gz KXSNNXFECALLDB-HNNXBMFYSA-N 1 2 365.355 2.507 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCCN(CCC)C(=O)C1 ZINC000189365423 509540330 /nfs/dbraw/zinc/54/03/30/509540330.db2.gz JEUYQMWSUGVDKE-MRXNPFEDSA-N 1 2 363.527 2.596 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCCN(CCC)C(=O)C1 ZINC000189365423 509540337 /nfs/dbraw/zinc/54/03/37/509540337.db2.gz JEUYQMWSUGVDKE-MRXNPFEDSA-N 1 2 363.527 2.596 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2Cc3ccccc3C3(CC3)C2)c1 ZINC000186234022 509592642 /nfs/dbraw/zinc/59/26/42/509592642.db2.gz OEKPWMUZFHUBGO-UHFFFAOYSA-N 1 2 352.459 2.879 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2Cc3ccccc3C3(CC3)C2)c1 ZINC000186234022 509592646 /nfs/dbraw/zinc/59/26/46/509592646.db2.gz OEKPWMUZFHUBGO-UHFFFAOYSA-N 1 2 352.459 2.879 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1Cl ZINC000264596392 509618158 /nfs/dbraw/zinc/61/81/58/509618158.db2.gz IFFXHBRDWJYAMI-TZMCWYRMSA-N 1 2 361.751 2.538 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1Cl ZINC000264596392 509618163 /nfs/dbraw/zinc/61/81/63/509618163.db2.gz IFFXHBRDWJYAMI-TZMCWYRMSA-N 1 2 361.751 2.538 20 30 FFEDLO Cc1oc(NC(=O)C[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)c(C#N)c1C ZINC000179823113 509638997 /nfs/dbraw/zinc/63/89/97/509638997.db2.gz FQQHSRMVBZCWRY-OAHLLOKOSA-N 1 2 357.414 2.954 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNc3ccc(C#N)c([N+](=O)[O-])c3)c[nH+]2)CCO1 ZINC000267899733 509660288 /nfs/dbraw/zinc/66/02/88/509660288.db2.gz BGFFVVDOLVKGJH-CYBMUJFWSA-N 1 2 353.382 2.699 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(O)ccc3Br)CC2)nc1 ZINC000179988200 509701198 /nfs/dbraw/zinc/70/11/98/509701198.db2.gz FKUNMUOHTXIAJN-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000177122300 509885405 /nfs/dbraw/zinc/88/54/05/509885405.db2.gz VRZGGYXSYHEDLL-GOSISDBHSA-N 1 2 353.470 2.955 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000177122300 509885409 /nfs/dbraw/zinc/88/54/09/509885409.db2.gz VRZGGYXSYHEDLL-GOSISDBHSA-N 1 2 353.470 2.955 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000183620152 509890986 /nfs/dbraw/zinc/89/09/86/509890986.db2.gz ZJRCXWHBRGCGRK-GOSISDBHSA-N 1 2 370.497 2.734 20 30 FFEDLO N#Cc1cccc(/C=C/C(=O)N2CCC[N@H+](Cc3cscn3)CC2)c1 ZINC000171021291 509894082 /nfs/dbraw/zinc/89/40/82/509894082.db2.gz MMMSERFWOXBGLM-AATRIKPKSA-N 1 2 352.463 2.762 20 30 FFEDLO N#Cc1cccc(/C=C/C(=O)N2CCC[N@@H+](Cc3cscn3)CC2)c1 ZINC000171021291 509894092 /nfs/dbraw/zinc/89/40/92/509894092.db2.gz MMMSERFWOXBGLM-AATRIKPKSA-N 1 2 352.463 2.762 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000268453973 509940313 /nfs/dbraw/zinc/94/03/13/509940313.db2.gz JGBALCNKZVEYQE-BXUZGUMPSA-N 1 2 372.860 2.845 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000268453973 509940318 /nfs/dbraw/zinc/94/03/18/509940318.db2.gz JGBALCNKZVEYQE-BXUZGUMPSA-N 1 2 372.860 2.845 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000268453973 509940322 /nfs/dbraw/zinc/94/03/22/509940322.db2.gz JGBALCNKZVEYQE-BXUZGUMPSA-N 1 2 372.860 2.845 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000268453973 509940325 /nfs/dbraw/zinc/94/03/25/509940325.db2.gz JGBALCNKZVEYQE-BXUZGUMPSA-N 1 2 372.860 2.845 20 30 FFEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n[nH]1 ZINC000268453973 509940330 /nfs/dbraw/zinc/94/03/30/509940330.db2.gz JGBALCNKZVEYQE-BXUZGUMPSA-N 1 2 372.860 2.845 20 30 FFEDLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n[nH]1 ZINC000268453973 509940334 /nfs/dbraw/zinc/94/03/34/509940334.db2.gz JGBALCNKZVEYQE-BXUZGUMPSA-N 1 2 372.860 2.845 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000268475886 509955418 /nfs/dbraw/zinc/95/54/18/509955418.db2.gz NEILERWEDDEODW-NVXWUHKLSA-N 1 2 366.469 2.628 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000268475886 509955425 /nfs/dbraw/zinc/95/54/25/509955425.db2.gz NEILERWEDDEODW-NVXWUHKLSA-N 1 2 366.469 2.628 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000268475886 509955430 /nfs/dbraw/zinc/95/54/30/509955430.db2.gz NEILERWEDDEODW-NVXWUHKLSA-N 1 2 366.469 2.628 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000268475886 509955437 /nfs/dbraw/zinc/95/54/37/509955437.db2.gz NEILERWEDDEODW-NVXWUHKLSA-N 1 2 366.469 2.628 20 30 FFEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n[nH]1 ZINC000268475886 509955441 /nfs/dbraw/zinc/95/54/41/509955441.db2.gz NEILERWEDDEODW-NVXWUHKLSA-N 1 2 366.469 2.628 20 30 FFEDLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n[nH]1 ZINC000268475886 509955449 /nfs/dbraw/zinc/95/54/49/509955449.db2.gz NEILERWEDDEODW-NVXWUHKLSA-N 1 2 366.469 2.628 20 30 FFEDLO N#CCCn1cc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)c(-c2ccccc2)n1 ZINC000245560252 510007155 /nfs/dbraw/zinc/00/71/55/510007155.db2.gz MTWFGBSQFMDPOP-RTBURBONSA-N 1 2 363.465 2.707 20 30 FFEDLO N#CCCn1cc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)c(-c2ccccc2)n1 ZINC000245560252 510007160 /nfs/dbraw/zinc/00/71/60/510007160.db2.gz MTWFGBSQFMDPOP-RTBURBONSA-N 1 2 363.465 2.707 20 30 FFEDLO Cc1nc(N2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc[nH+]1 ZINC000183875415 510017179 /nfs/dbraw/zinc/01/71/79/510017179.db2.gz KIRLTKYALILBQT-UHFFFAOYSA-N 1 2 356.817 2.664 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccnc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000193682565 510017229 /nfs/dbraw/zinc/01/72/29/510017229.db2.gz RLQPANXHMTZPCA-IRXDYDNUSA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)c2ccnc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000193682565 510017232 /nfs/dbraw/zinc/01/72/32/510017232.db2.gz RLQPANXHMTZPCA-IRXDYDNUSA-N 1 2 358.804 2.921 20 30 FFEDLO COc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000268636464 510046823 /nfs/dbraw/zinc/04/68/23/510046823.db2.gz ZDJBDVNOJYAATG-UHFFFAOYSA-N 1 2 353.397 2.664 20 30 FFEDLO CSCC[C@H](C)[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265464557 510069174 /nfs/dbraw/zinc/06/91/74/510069174.db2.gz AWMDFMFYFHCRMU-GXTWGEPZSA-N 1 2 358.467 2.585 20 30 FFEDLO CSCC[C@H](C)[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265464557 510069181 /nfs/dbraw/zinc/06/91/81/510069181.db2.gz AWMDFMFYFHCRMU-GXTWGEPZSA-N 1 2 358.467 2.585 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000245764364 510134514 /nfs/dbraw/zinc/13/45/14/510134514.db2.gz QRMALJMVOLMRBS-ZTFGCOKTSA-N 1 2 366.889 2.809 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000245764364 510134519 /nfs/dbraw/zinc/13/45/19/510134519.db2.gz QRMALJMVOLMRBS-ZTFGCOKTSA-N 1 2 366.889 2.809 20 30 FFEDLO COc1cc(NC(=O)CC[N@H+](CC#N)C2CCCC2)cc(OC)c1OC ZINC000265660074 510161824 /nfs/dbraw/zinc/16/18/24/510161824.db2.gz RSNBKTZFRUXYLZ-UHFFFAOYSA-N 1 2 361.442 2.809 20 30 FFEDLO COc1cc(NC(=O)CC[N@@H+](CC#N)C2CCCC2)cc(OC)c1OC ZINC000265660074 510161826 /nfs/dbraw/zinc/16/18/26/510161826.db2.gz RSNBKTZFRUXYLZ-UHFFFAOYSA-N 1 2 361.442 2.809 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190530477 510187696 /nfs/dbraw/zinc/18/76/96/510187696.db2.gz QXVBDXLPTCFRIR-AWEZNQCLSA-N 1 2 368.412 2.963 20 30 FFEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000177726381 510219390 /nfs/dbraw/zinc/21/93/90/510219390.db2.gz GKGJJEQLGFFYDO-SXBQZSJRSA-N 1 2 355.463 2.927 20 30 FFEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000177726381 510219398 /nfs/dbraw/zinc/21/93/98/510219398.db2.gz GKGJJEQLGFFYDO-SXBQZSJRSA-N 1 2 355.463 2.927 20 30 FFEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000171706937 510320691 /nfs/dbraw/zinc/32/06/91/510320691.db2.gz WIGJLMOWGAPQKA-SFHVURJKSA-N 1 2 357.498 2.574 20 30 FFEDLO C=CCC[C@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000187644828 510368186 /nfs/dbraw/zinc/36/81/86/510368186.db2.gz DCDXXNVLEORGTO-PXNSSMCTSA-N 1 2 369.509 2.548 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)C[C@@H](O)C(F)(F)F)c1 ZINC000246223360 510375033 /nfs/dbraw/zinc/37/50/33/510375033.db2.gz ZTVDYUMRTXYGSU-GOEBONIOSA-N 1 2 371.403 2.794 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C(F)(F)F)c1 ZINC000246223360 510375040 /nfs/dbraw/zinc/37/50/40/510375040.db2.gz ZTVDYUMRTXYGSU-GOEBONIOSA-N 1 2 371.403 2.794 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[S@](=O)Cc1[nH+]ccn1Cc1ccccc1 ZINC000178116253 510441462 /nfs/dbraw/zinc/44/14/62/510441462.db2.gz IFSBUGMTGPOZBH-RUZDIDTESA-N 1 2 359.495 2.605 20 30 FFEDLO N#Cc1ccccc1OCC[N@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000246367479 510450230 /nfs/dbraw/zinc/45/02/30/510450230.db2.gz HVYNHRABEYSFGF-IAGOWNOFSA-N 1 2 358.463 2.823 20 30 FFEDLO N#Cc1ccccc1OCC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000246367479 510450237 /nfs/dbraw/zinc/45/02/37/510450237.db2.gz HVYNHRABEYSFGF-IAGOWNOFSA-N 1 2 358.463 2.823 20 30 FFEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)NC[C@H](C)c2ccccc2)cs1 ZINC000178144667 510455368 /nfs/dbraw/zinc/45/53/68/510455368.db2.gz DRPIJZWRSCZLDD-QWHCGFSZSA-N 1 2 360.483 2.591 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(CC(=O)NC)CC1 ZINC000175044212 510457579 /nfs/dbraw/zinc/45/75/79/510457579.db2.gz XCKLJBKAEITAGA-UHFFFAOYSA-N 1 2 361.511 2.751 20 30 FFEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000269638590 510492735 /nfs/dbraw/zinc/49/27/35/510492735.db2.gz CKGVSOHHHOUKKS-UHFFFAOYSA-N 1 2 374.441 2.561 20 30 FFEDLO COc1ccc([C@@H](NC(=O)Cc2ccc(C#N)cc2)c2[nH+]ccn2C)cc1 ZINC000194722413 510494254 /nfs/dbraw/zinc/49/42/54/510494254.db2.gz BNJPLNWOJHCBIH-HXUWFJFHSA-N 1 2 360.417 2.749 20 30 FFEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc([S@@](C)=O)cc1 ZINC000178425703 510598282 /nfs/dbraw/zinc/59/82/82/510598282.db2.gz LYJDOXKJLACIMH-AREMUKBSSA-N 1 2 366.446 2.978 20 30 FFEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc([S@@](C)=O)cc1 ZINC000178425703 510598288 /nfs/dbraw/zinc/59/82/88/510598288.db2.gz LYJDOXKJLACIMH-AREMUKBSSA-N 1 2 366.446 2.978 20 30 FFEDLO COc1cc(C[NH+]2CCN(Cc3ccccc3C#N)CC2)cc(OC)c1 ZINC000175443533 510649634 /nfs/dbraw/zinc/64/96/34/510649634.db2.gz NYBDQKMORUFVPN-UHFFFAOYSA-N 1 2 351.450 2.893 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCC(F)(F)F)CC2)cc1 ZINC000266565098 510661054 /nfs/dbraw/zinc/66/10/54/510661054.db2.gz QJYMZVHUODXSLH-UHFFFAOYSA-N 1 2 354.376 2.728 20 30 FFEDLO COc1ccccc1-c1csc(C2CC[NH+](CC(=O)NCC#N)CC2)n1 ZINC000191511034 510696946 /nfs/dbraw/zinc/69/69/46/510696946.db2.gz CNMPFMJXVRGNTA-UHFFFAOYSA-N 1 2 370.478 2.638 20 30 FFEDLO Cc1cc(N2CCC(/N=C/c3cc([N+](=O)[O-])ccc3O)CC2)nc(C)[nH+]1 ZINC000178705922 510729566 /nfs/dbraw/zinc/72/95/66/510729566.db2.gz ZFDAPVJCLURFDR-YBFXNURJSA-N 1 2 355.398 2.795 20 30 FFEDLO C=CCOc1cccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000195343973 510793460 /nfs/dbraw/zinc/79/34/60/510793460.db2.gz SWPXJAQJAGDQTR-UHFFFAOYSA-N 1 2 372.513 2.932 20 30 FFEDLO Cc1ccc2[nH+]c(CNC(=O)N3CCN(c4ccccc4C#N)CC3)cn2c1 ZINC000263758265 510830208 /nfs/dbraw/zinc/83/02/08/510830208.db2.gz QZLFTTZJSKMNOE-UHFFFAOYSA-N 1 2 374.448 2.546 20 30 FFEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000172658990 510838336 /nfs/dbraw/zinc/83/83/36/510838336.db2.gz AIJDYEQZFVRTSE-UHFFFAOYSA-N 1 2 372.856 2.816 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c(F)c1 ZINC000182310274 510848136 /nfs/dbraw/zinc/84/81/36/510848136.db2.gz LXXWPAVDFRMTTC-KRWDZBQOSA-N 1 2 365.474 2.524 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c(F)c1 ZINC000182310274 510848139 /nfs/dbraw/zinc/84/81/39/510848139.db2.gz LXXWPAVDFRMTTC-KRWDZBQOSA-N 1 2 365.474 2.524 20 30 FFEDLO C=CCn1c(C2CCC2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000282166751 510872626 /nfs/dbraw/zinc/87/26/26/510872626.db2.gz DJRIXJKMVMVORP-UHFFFAOYSA-N 1 2 358.515 2.819 20 30 FFEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000329905306 510874352 /nfs/dbraw/zinc/87/43/52/510874352.db2.gz JMYXTQZLJNVLFY-SJLPKXTDSA-N 1 2 368.481 2.881 20 30 FFEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)N=c2[nH]c3ccccc3s2)C1 ZINC000329930111 510879901 /nfs/dbraw/zinc/87/99/01/510879901.db2.gz ZJVSKGPINHBBEM-AWEZNQCLSA-N 1 2 360.483 2.884 20 30 FFEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)N=c2[nH]c3ccccc3s2)C1 ZINC000329930111 510879908 /nfs/dbraw/zinc/87/99/08/510879908.db2.gz ZJVSKGPINHBBEM-AWEZNQCLSA-N 1 2 360.483 2.884 20 30 FFEDLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000329945608 510884761 /nfs/dbraw/zinc/88/47/61/510884761.db2.gz JEJABNXCAXFVGN-TZMCWYRMSA-N 1 2 372.477 2.652 20 30 FFEDLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000329945608 510884766 /nfs/dbraw/zinc/88/47/66/510884766.db2.gz JEJABNXCAXFVGN-TZMCWYRMSA-N 1 2 372.477 2.652 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CCOc3ccccc32)cn1 ZINC000329982239 510892213 /nfs/dbraw/zinc/89/22/13/510892213.db2.gz OSHPFFZCEIQVSW-XYJFISCASA-N 1 2 372.444 2.855 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CCOc3ccccc32)cn1 ZINC000329982239 510892217 /nfs/dbraw/zinc/89/22/17/510892217.db2.gz OSHPFFZCEIQVSW-XYJFISCASA-N 1 2 372.444 2.855 20 30 FFEDLO CC(C)n1ncc2c1C[C@@H]([NH+]=C([O-])N1CCC(c3c[nH+]c[nH]3)CC1)CC2 ZINC000330041882 510904896 /nfs/dbraw/zinc/90/48/96/510904896.db2.gz GKFWQFWTCAQVBZ-INIZCTEOSA-N 1 2 356.474 2.838 20 30 FFEDLO C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000330047204 510906795 /nfs/dbraw/zinc/90/67/95/510906795.db2.gz JEXDLBZBTYMALE-CHWSQXEVSA-N 1 2 356.426 2.993 20 30 FFEDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000330181308 510931021 /nfs/dbraw/zinc/93/10/21/510931021.db2.gz GPFQBLDZYNNVQC-CQSZACIVSA-N 1 2 361.421 2.702 20 30 FFEDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000330181308 510931024 /nfs/dbraw/zinc/93/10/24/510931024.db2.gz GPFQBLDZYNNVQC-CQSZACIVSA-N 1 2 361.421 2.702 20 30 FFEDLO Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3CCOC4(CCC4)C3)CC2)s1 ZINC000330235957 510944369 /nfs/dbraw/zinc/94/43/69/510944369.db2.gz UDCTYWMQKILVGY-OAHLLOKOSA-N 1 2 364.515 2.585 20 30 FFEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCc2ccc(Br)cc21 ZINC000330277229 510954812 /nfs/dbraw/zinc/95/48/12/510954812.db2.gz NYPQUWBIMFJOEF-CYBMUJFWSA-N 1 2 361.243 2.937 20 30 FFEDLO CCn1ncc2ccc(NC(=O)N3CCN(CC)[C@@H](c4[nH]cc[nH+]4)C3)cc21 ZINC000330320361 510963131 /nfs/dbraw/zinc/96/31/31/510963131.db2.gz DZZCHZKTHFECQE-QGZVFWFLSA-N 1 2 367.457 2.704 20 30 FFEDLO CCS[C@@H]1CCC[C@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C1 ZINC000330327520 510964695 /nfs/dbraw/zinc/96/46/95/510964695.db2.gz KZDVCCVGZXMSLR-XHSDSOJGSA-N 1 2 365.547 2.687 20 30 FFEDLO CC(C)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330336295 510968395 /nfs/dbraw/zinc/96/83/95/510968395.db2.gz SHDBLORKXQROSV-BFYDXBDKSA-N 1 2 362.474 2.634 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Sc2ccccn2)o1 ZINC000279107441 511019896 /nfs/dbraw/zinc/01/98/96/511019896.db2.gz VWRBSSWUZZZNRK-UHFFFAOYSA-N 1 2 372.494 2.874 20 30 FFEDLO C#CCN(Cc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000287225806 511044606 /nfs/dbraw/zinc/04/46/06/511044606.db2.gz VCDGDYFANGGXLK-UHFFFAOYSA-N 1 2 364.449 2.894 20 30 FFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC000331353358 511064205 /nfs/dbraw/zinc/06/42/05/511064205.db2.gz OXRFFAAMNXSNSF-JQWIXIFHSA-N 1 2 369.206 2.512 20 30 FFEDLO COC(=O)c1c(NC(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)sc2c1CCCC2 ZINC000331628010 511069791 /nfs/dbraw/zinc/06/97/91/511069791.db2.gz PJMYCOAIBNVRCP-YPMHNXCESA-N 1 2 361.467 2.634 20 30 FFEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCC[C@H](O)c3ccccc3)cn2)n1 ZINC000288591842 511080887 /nfs/dbraw/zinc/08/08/87/511080887.db2.gz LYINMVFGVKIABV-SFHVURJKSA-N 1 2 365.437 2.645 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)N3CC(=O)Nc4ccccc43)CC2)cc1 ZINC000362106554 511133544 /nfs/dbraw/zinc/13/35/44/511133544.db2.gz OZKJOVDMCWEKFD-UHFFFAOYSA-N 1 2 372.428 2.633 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)N3CC(=O)Nc4ccccc43)CC2)cc1 ZINC000362106554 511133551 /nfs/dbraw/zinc/13/35/51/511133551.db2.gz OZKJOVDMCWEKFD-UHFFFAOYSA-N 1 2 372.428 2.633 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279687573 511177895 /nfs/dbraw/zinc/17/78/95/511177895.db2.gz FVJCNEOAWYIYQG-MSOLQXFVSA-N 1 2 371.481 2.592 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279687573 511177901 /nfs/dbraw/zinc/17/79/01/511177901.db2.gz FVJCNEOAWYIYQG-MSOLQXFVSA-N 1 2 371.481 2.592 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1Cl ZINC000294788111 511178039 /nfs/dbraw/zinc/17/80/39/511178039.db2.gz BCSQKJZDUIEVID-UHFFFAOYSA-N 1 2 370.840 2.715 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N(CC)Cc2ccccc2)n1 ZINC000279755108 511203573 /nfs/dbraw/zinc/20/35/73/511203573.db2.gz QPNOJSRVCJHXNY-GOSISDBHSA-N 1 2 352.482 2.775 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N(CC)Cc2ccccc2)n1 ZINC000279755108 511203577 /nfs/dbraw/zinc/20/35/77/511203577.db2.gz QPNOJSRVCJHXNY-GOSISDBHSA-N 1 2 352.482 2.775 20 30 FFEDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000283024462 511203799 /nfs/dbraw/zinc/20/37/99/511203799.db2.gz OJYJOMSCJPREAE-UHFFFAOYSA-N 1 2 353.304 2.854 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cn(C)nc2-c2ccc(C#N)cc2)n1 ZINC000279764223 511205673 /nfs/dbraw/zinc/20/56/73/511205673.db2.gz RUHLGTBRBKVFJO-UHFFFAOYSA-N 1 2 358.449 2.811 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)Cc2cn(C)nc2-c2ccc(C#N)cc2)n1 ZINC000279764223 511205676 /nfs/dbraw/zinc/20/56/76/511205676.db2.gz RUHLGTBRBKVFJO-UHFFFAOYSA-N 1 2 358.449 2.811 20 30 FFEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(C#N)ccn2)C[C@@H](C)O1 ZINC000283136779 511250094 /nfs/dbraw/zinc/25/00/94/511250094.db2.gz UXTXELJJPRMIRS-HUUCEWRRSA-N 1 2 350.422 2.815 20 30 FFEDLO N#Cc1ccc(CNC(=O)CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000298463061 511292721 /nfs/dbraw/zinc/29/27/21/511292721.db2.gz MQHQPFFGLBHZIW-QPJJXVBHSA-N 1 2 374.488 2.505 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1F ZINC000365272573 511354543 /nfs/dbraw/zinc/35/45/43/511354543.db2.gz XCOALGDMLIARDG-UHFFFAOYSA-N 1 2 373.453 2.640 20 30 FFEDLO Cc1cc(NC(=O)C(=O)N(C)C[C@H](C)C#N)ccc1Oc1cc[nH+]cc1 ZINC000280183811 511367089 /nfs/dbraw/zinc/36/70/89/511367089.db2.gz JEWGRIZNUWHXGR-CYBMUJFWSA-N 1 2 352.394 2.739 20 30 FFEDLO C=CCCCNC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000280375852 511443170 /nfs/dbraw/zinc/44/31/70/511443170.db2.gz DVWLASFZBNFLDN-UHFFFAOYSA-N 1 2 352.438 2.907 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000363319336 511478722 /nfs/dbraw/zinc/47/87/22/511478722.db2.gz GMSCKIPMVJWJOP-AWEZNQCLSA-N 1 2 359.499 2.649 20 30 FFEDLO CC1(C#N)CC[NH+](CC(=O)N[C@@H](c2nccs2)c2ccccc2)CC1 ZINC000272592677 511501295 /nfs/dbraw/zinc/50/12/95/511501295.db2.gz PQSFJIOUOOBPIK-QGZVFWFLSA-N 1 2 354.479 2.974 20 30 FFEDLO COC[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1ccco1 ZINC000273541992 511530789 /nfs/dbraw/zinc/53/07/89/511530789.db2.gz VSVTXKIGCRHRMR-JKSUJKDBSA-N 1 2 371.437 2.901 20 30 FFEDLO COC(=O)c1cc([C@@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)oc1C ZINC000292729461 511701042 /nfs/dbraw/zinc/70/10/42/511701042.db2.gz VERYZOQOSSMWMN-CYBMUJFWSA-N 1 2 354.410 2.525 20 30 FFEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCOC[C@@H]1c1ccccc1 ZINC000328736888 511924056 /nfs/dbraw/zinc/92/40/56/511924056.db2.gz LJNBPLYKKDUGTI-QZTJIDSGSA-N 1 2 352.438 2.648 20 30 FFEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCOC[C@H]1c1ccccc1 ZINC000328736887 511924326 /nfs/dbraw/zinc/92/43/26/511924326.db2.gz LJNBPLYKKDUGTI-MSOLQXFVSA-N 1 2 352.438 2.648 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)C1=O ZINC000328816614 511935037 /nfs/dbraw/zinc/93/50/37/511935037.db2.gz NXNGOJFDZHBQBZ-DLBZAZTESA-N 1 2 357.502 2.819 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)C1=O ZINC000328816614 511935040 /nfs/dbraw/zinc/93/50/40/511935040.db2.gz NXNGOJFDZHBQBZ-DLBZAZTESA-N 1 2 357.502 2.819 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCO[C@@H]3C3CC3)CC2)cc1 ZINC000328854665 511941653 /nfs/dbraw/zinc/94/16/53/511941653.db2.gz WPXCUJJKSZSPJT-WOJBJXKFSA-N 1 2 373.497 2.684 20 30 FFEDLO C[C@@H]1CN(c2ccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)cn2)C[C@@H](C)O1 ZINC000328912959 511948936 /nfs/dbraw/zinc/94/89/36/511948936.db2.gz HSDQMKGYWHZJMU-RBSFLKMASA-N 1 2 355.442 2.742 20 30 FFEDLO CN(C)c1cc(C#N)cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000293403188 511951988 /nfs/dbraw/zinc/95/19/88/511951988.db2.gz SIAOCRNJZJJOTE-NVXWUHKLSA-N 1 2 353.426 2.600 20 30 FFEDLO CN(C)c1cc(C#N)cc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000293403188 511951994 /nfs/dbraw/zinc/95/19/94/511951994.db2.gz SIAOCRNJZJJOTE-NVXWUHKLSA-N 1 2 353.426 2.600 20 30 FFEDLO CN(C)C(=O)O[C@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000296962657 511967987 /nfs/dbraw/zinc/96/79/87/511967987.db2.gz YJALACNQNVXKLY-HNNXBMFYSA-N 1 2 368.437 2.510 20 30 FFEDLO CN(C)C(=O)O[C@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000296962657 511967992 /nfs/dbraw/zinc/96/79/92/511967992.db2.gz YJALACNQNVXKLY-HNNXBMFYSA-N 1 2 368.437 2.510 20 30 FFEDLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@@H]1CCc2n[nH]nc2C1 ZINC000329065174 511977145 /nfs/dbraw/zinc/97/71/45/511977145.db2.gz VZYVSUFKRHXUFA-GFCCVEGCSA-N 1 2 359.861 2.578 20 30 FFEDLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@@H]1CCc2n[nH]nc2C1 ZINC000329065174 511977151 /nfs/dbraw/zinc/97/71/51/511977151.db2.gz VZYVSUFKRHXUFA-GFCCVEGCSA-N 1 2 359.861 2.578 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)c2c(F)cccc2F)CCC(=O)N1C1CC1 ZINC000329189958 512001768 /nfs/dbraw/zinc/00/17/68/512001768.db2.gz PXZUUSYMRNGZTF-RDTXWAMCSA-N 1 2 374.391 2.898 20 30 FFEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4nc(C(F)F)sc4c3)C[C@@H]21 ZINC000329236547 512010309 /nfs/dbraw/zinc/01/03/09/512010309.db2.gz JOTZLZLIEBPREP-NWDGAFQWSA-N 1 2 368.409 2.794 20 30 FFEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4nc(C(F)F)sc4c3)C[C@@H]21 ZINC000329236547 512010318 /nfs/dbraw/zinc/01/03/18/512010318.db2.gz JOTZLZLIEBPREP-NWDGAFQWSA-N 1 2 368.409 2.794 20 30 FFEDLO CC[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)c1nc(C)cs1 ZINC000329235119 512010556 /nfs/dbraw/zinc/01/05/56/512010556.db2.gz IHWHVBRMBQUJSC-KFWWJZLASA-N 1 2 352.504 2.612 20 30 FFEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CCOCC3(CC3)C2)C[C@H](C)O1 ZINC000329302325 512022797 /nfs/dbraw/zinc/02/27/97/512022797.db2.gz NIVBOEYPNHCBDT-IRXDYDNUSA-N 1 2 373.497 2.954 20 30 FFEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(Cl)c(OC(F)F)c3)C[C@H]21 ZINC000329316601 512026661 /nfs/dbraw/zinc/02/66/61/512026661.db2.gz HPCCVOIVERQKKY-YPMHNXCESA-N 1 2 361.776 2.502 20 30 FFEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(Cl)c(OC(F)F)c3)C[C@H]21 ZINC000329316601 512026664 /nfs/dbraw/zinc/02/66/64/512026664.db2.gz HPCCVOIVERQKKY-YPMHNXCESA-N 1 2 361.776 2.502 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2CCC(C)(C)CC2)CCC(=O)N1C1CC1 ZINC000329362409 512034044 /nfs/dbraw/zinc/03/40/44/512034044.db2.gz YZBZHMZVQVUUOA-CRAIPNDOSA-N 1 2 373.501 2.651 20 30 FFEDLO O=C(Nc1ccccc1CN1CCNC1=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000329422559 512042850 /nfs/dbraw/zinc/04/28/50/512042850.db2.gz IAFLEZWHRXGVBB-INIZCTEOSA-N 1 2 368.441 2.912 20 30 FFEDLO C[C@@H]1CCSCCN1C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329436040 512046027 /nfs/dbraw/zinc/04/60/27/512046027.db2.gz JFGHVONWNRVMJU-UKRRQHHQSA-N 1 2 352.504 2.629 20 30 FFEDLO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C1CCS(=O)(=O)CC1 ZINC000329444522 512047137 /nfs/dbraw/zinc/04/71/37/512047137.db2.gz NOPNALNGYLXFMW-CQSZACIVSA-N 1 2 356.513 2.666 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000285260655 512056544 /nfs/dbraw/zinc/05/65/44/512056544.db2.gz HWAAHGNIMXGKMM-MRXNPFEDSA-N 1 2 351.244 2.702 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000285260655 512056549 /nfs/dbraw/zinc/05/65/49/512056549.db2.gz HWAAHGNIMXGKMM-MRXNPFEDSA-N 1 2 351.244 2.702 20 30 FFEDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCOCC2(CCC2)C1 ZINC000329507287 512059158 /nfs/dbraw/zinc/05/91/58/512059158.db2.gz JABOGLLZIBIRRQ-UHFFFAOYSA-N 1 2 354.454 2.848 20 30 FFEDLO O=C(NCc1ccc2c(c1)C(=O)NCC2)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329534042 512066350 /nfs/dbraw/zinc/06/63/50/512066350.db2.gz YLHOZIJNMLYLMQ-SFHVURJKSA-N 1 2 357.454 2.647 20 30 FFEDLO O=C(NCc1ccc2c(c1)C(=O)NCC2)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329534042 512066354 /nfs/dbraw/zinc/06/63/54/512066354.db2.gz YLHOZIJNMLYLMQ-SFHVURJKSA-N 1 2 357.454 2.647 20 30 FFEDLO C[C@@H]1C[C@H](CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000329615325 512077611 /nfs/dbraw/zinc/07/76/11/512077611.db2.gz DEDDEKNZBNHYNH-QZTJIDSGSA-N 1 2 370.497 2.795 20 30 FFEDLO CCC[C@@H]1CCc2nc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)sc2C1 ZINC000329795678 512098282 /nfs/dbraw/zinc/09/82/82/512098282.db2.gz WNYHFOGKZYHGIZ-VHDGCEQUSA-N 1 2 364.515 2.608 20 30 FFEDLO CCC[C@@H]1CCc2nc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)sc2C1 ZINC000329795678 512098284 /nfs/dbraw/zinc/09/82/84/512098284.db2.gz WNYHFOGKZYHGIZ-VHDGCEQUSA-N 1 2 364.515 2.608 20 30 FFEDLO CCC[C@H]1CCCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000329853568 512104251 /nfs/dbraw/zinc/10/42/51/512104251.db2.gz SCXHOGBQPIOJIC-INIZCTEOSA-N 1 2 373.501 2.527 20 30 FFEDLO CCN1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329892098 512105714 /nfs/dbraw/zinc/10/57/14/512105714.db2.gz AAFGSUIVQXTHNV-HZPDHXFCSA-N 1 2 358.490 2.660 20 30 FFEDLO C[C@@H]1CCN(C([O-])=[NH+]C[C@@H]2COc3ccccc3O2)C[C@@H]1n1cc[nH+]c1 ZINC000329896026 512106144 /nfs/dbraw/zinc/10/61/44/512106144.db2.gz KSDRRCNGFRCPEU-OAGGEKHMSA-N 1 2 356.426 2.520 20 30 FFEDLO C[C@@H]1CCN(C(=O)NC[C@@H]2COc3ccccc3O2)C[C@@H]1n1cc[nH+]c1 ZINC000329896026 512106145 /nfs/dbraw/zinc/10/61/45/512106145.db2.gz KSDRRCNGFRCPEU-OAGGEKHMSA-N 1 2 356.426 2.520 20 30 FFEDLO N#Cc1cccc(C(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)c1 ZINC000375781341 512503703 /nfs/dbraw/zinc/50/37/03/512503703.db2.gz WHPURDZYTQENCA-UHFFFAOYSA-N 1 2 360.339 2.934 20 30 FFEDLO N#Cc1cccc(-n2ccc(C(=O)NC3CCN(c4cccc[nH+]4)CC3)n2)c1 ZINC000376128621 512674268 /nfs/dbraw/zinc/67/42/68/512674268.db2.gz FYRPQGLDYHUXMU-UHFFFAOYSA-N 1 2 372.432 2.538 20 30 FFEDLO C[C@@H](C(=O)NCc1ccccc1F)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374291643 512750243 /nfs/dbraw/zinc/75/02/43/512750243.db2.gz KYTAOHPNYUVWQI-INIZCTEOSA-N 1 2 366.440 2.783 20 30 FFEDLO N#CC1(NC(=O)c2cc(F)c(O)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000368151871 512822409 /nfs/dbraw/zinc/82/24/09/512822409.db2.gz OBEZKOZOHYWZPE-UHFFFAOYSA-N 1 2 371.387 2.959 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@H](C3CCC3)C2)cc1 ZINC000411864654 512850002 /nfs/dbraw/zinc/85/00/02/512850002.db2.gz SMJNJVQYLLUIEJ-HXUWFJFHSA-N 1 2 371.481 2.833 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@H](C3CCC3)C2)cc1 ZINC000411864654 512850009 /nfs/dbraw/zinc/85/00/09/512850009.db2.gz SMJNJVQYLLUIEJ-HXUWFJFHSA-N 1 2 371.481 2.833 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000378618579 512852130 /nfs/dbraw/zinc/85/21/30/512852130.db2.gz CZEWERBETDLLOB-YOEHRIQHSA-N 1 2 362.355 2.869 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000378618579 512852134 /nfs/dbraw/zinc/85/21/34/512852134.db2.gz CZEWERBETDLLOB-YOEHRIQHSA-N 1 2 362.355 2.869 20 30 FFEDLO CC1(C)CN(S(=O)(=O)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000383076681 512879935 /nfs/dbraw/zinc/87/99/35/512879935.db2.gz ZCXLKEZIWWFMEV-UHFFFAOYSA-N 1 2 369.490 2.843 20 30 FFEDLO CC1(C)CN(S(=O)(=O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000383076681 512879941 /nfs/dbraw/zinc/87/99/41/512879941.db2.gz ZCXLKEZIWWFMEV-UHFFFAOYSA-N 1 2 369.490 2.843 20 30 FFEDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000383071115 512880857 /nfs/dbraw/zinc/88/08/57/512880857.db2.gz MUPPQBAPXODIEM-QGZVFWFLSA-N 1 2 369.490 2.762 20 30 FFEDLO Cc1cc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000383071115 512880859 /nfs/dbraw/zinc/88/08/59/512880859.db2.gz MUPPQBAPXODIEM-QGZVFWFLSA-N 1 2 369.490 2.762 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411986881 512902399 /nfs/dbraw/zinc/90/23/99/512902399.db2.gz PDZFIOCGCPZEAA-NQERJWCQSA-N 1 2 369.465 2.539 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411986881 512902402 /nfs/dbraw/zinc/90/24/02/512902402.db2.gz PDZFIOCGCPZEAA-NQERJWCQSA-N 1 2 369.465 2.539 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412043455 512928367 /nfs/dbraw/zinc/92/83/67/512928367.db2.gz VBAFHZKBTWCNHG-MELADBBJSA-N 1 2 361.511 2.918 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412043455 512928370 /nfs/dbraw/zinc/92/83/70/512928370.db2.gz VBAFHZKBTWCNHG-MELADBBJSA-N 1 2 361.511 2.918 20 30 FFEDLO C[C@H]1[C@H](CO)CCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000412092448 512956400 /nfs/dbraw/zinc/95/64/00/512956400.db2.gz RBVGGBWBQZYHKE-KBPBESRZSA-N 1 2 361.511 2.920 20 30 FFEDLO C[C@H]1[C@H](CO)CCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000412092448 512956403 /nfs/dbraw/zinc/95/64/03/512956403.db2.gz RBVGGBWBQZYHKE-KBPBESRZSA-N 1 2 361.511 2.920 20 30 FFEDLO N#CCCCOc1cccnc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000372681205 512994462 /nfs/dbraw/zinc/99/44/62/512994462.db2.gz JSSQVRONYPSAID-UHFFFAOYSA-N 1 2 354.414 2.899 20 30 FFEDLO N#CCCCOc1cccnc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372681205 512994465 /nfs/dbraw/zinc/99/44/65/512994465.db2.gz JSSQVRONYPSAID-UHFFFAOYSA-N 1 2 354.414 2.899 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c(C#N)c1C ZINC000374864110 513044145 /nfs/dbraw/zinc/04/41/45/513044145.db2.gz LXJHQRMULKCKNI-RBZFPXEDSA-N 1 2 371.412 2.828 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c(C#N)c1C ZINC000374864110 513044152 /nfs/dbraw/zinc/04/41/52/513044152.db2.gz LXJHQRMULKCKNI-RBZFPXEDSA-N 1 2 371.412 2.828 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ncc[nH]2)c(OC)c1 ZINC000374882808 513053708 /nfs/dbraw/zinc/05/37/08/513053708.db2.gz XNGGVBYOWIQBDN-IRXDYDNUSA-N 1 2 357.454 2.724 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ncc[nH]2)c(OC)c1 ZINC000374882808 513053714 /nfs/dbraw/zinc/05/37/14/513053714.db2.gz XNGGVBYOWIQBDN-IRXDYDNUSA-N 1 2 357.454 2.724 20 30 FFEDLO C=C(C)COc1cc(C[N@H+]2CC[C@H](OC)C[C@H]2C(=O)OC)ccc1OC ZINC000374893306 513059045 /nfs/dbraw/zinc/05/90/45/513059045.db2.gz GQRIBEJQFMWQJC-IRXDYDNUSA-N 1 2 363.454 2.803 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+]2CC[C@H](OC)C[C@H]2C(=O)OC)ccc1OC ZINC000374893306 513059050 /nfs/dbraw/zinc/05/90/50/513059050.db2.gz GQRIBEJQFMWQJC-IRXDYDNUSA-N 1 2 363.454 2.803 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)C[C@@H](C)C#N ZINC000368846855 513120130 /nfs/dbraw/zinc/12/01/30/513120130.db2.gz UBGOBKJTBXCXQI-YJBOKZPZSA-N 1 2 359.470 2.849 20 30 FFEDLO CC[N@H+](CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)C[C@@H](C)C#N ZINC000368846855 513120132 /nfs/dbraw/zinc/12/01/32/513120132.db2.gz UBGOBKJTBXCXQI-YJBOKZPZSA-N 1 2 359.470 2.849 20 30 FFEDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000445988993 513161270 /nfs/dbraw/zinc/16/12/70/513161270.db2.gz RGAGABIIOCSVJR-MRXNPFEDSA-N 1 2 354.372 2.783 20 30 FFEDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000445988993 513161275 /nfs/dbraw/zinc/16/12/75/513161275.db2.gz RGAGABIIOCSVJR-MRXNPFEDSA-N 1 2 354.372 2.783 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H](C)[C@@H](C)O1 ZINC000446075531 513180151 /nfs/dbraw/zinc/18/01/51/513180151.db2.gz ZFSSVTKTSSDCIT-RBSFLKMASA-N 1 2 368.399 2.671 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H](C)[C@@H](C)O1 ZINC000446075531 513180156 /nfs/dbraw/zinc/18/01/56/513180156.db2.gz ZFSSVTKTSSDCIT-RBSFLKMASA-N 1 2 368.399 2.671 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)c1C#N ZINC000450820283 513355930 /nfs/dbraw/zinc/35/59/30/513355930.db2.gz IPNRPPJTLIOAFD-UHFFFAOYSA-N 1 2 369.444 2.524 20 30 FFEDLO O=C1N=NC([C@@H]2CCC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)O1 ZINC000450894143 513387643 /nfs/dbraw/zinc/38/76/43/513387643.db2.gz FHGAWYUYCGBZLP-CYBMUJFWSA-N 1 2 367.327 2.905 20 30 FFEDLO O=C1N=NC([C@@H]2CCC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)O1 ZINC000450894143 513387648 /nfs/dbraw/zinc/38/76/48/513387648.db2.gz FHGAWYUYCGBZLP-CYBMUJFWSA-N 1 2 367.327 2.905 20 30 FFEDLO N#Cc1cnc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c(F)c1 ZINC000413036514 513399727 /nfs/dbraw/zinc/39/97/27/513399727.db2.gz DQPWHDMOFSJDDM-UHFFFAOYSA-N 1 2 353.401 2.607 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)N(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000434712637 513404335 /nfs/dbraw/zinc/40/43/35/513404335.db2.gz CRQKSWTZFAFAOD-HNNXBMFYSA-N 1 2 356.388 2.589 20 30 FFEDLO Cc1ccc(Cl)c(N(Cc2[nH]cc[nH+]2)C(=O)c2cnn(C)c2C#N)c1 ZINC000440876856 513428362 /nfs/dbraw/zinc/42/83/62/513428362.db2.gz RQGVADPREMAAFA-UHFFFAOYSA-N 1 2 354.801 2.824 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2CO)cc1Cl ZINC000440912090 513435422 /nfs/dbraw/zinc/43/54/22/513435422.db2.gz BIAAENFPTLBIQU-SFHVURJKSA-N 1 2 355.825 2.742 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2CO)cc1Cl ZINC000440912090 513435428 /nfs/dbraw/zinc/43/54/28/513435428.db2.gz BIAAENFPTLBIQU-SFHVURJKSA-N 1 2 355.825 2.742 20 30 FFEDLO Cc1cc(NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c(C#N)c[nH+]1 ZINC000425214656 513456873 /nfs/dbraw/zinc/45/68/73/513456873.db2.gz KGVYHRLWSWAFOC-IBGZPJMESA-N 1 2 356.857 2.822 20 30 FFEDLO Cc1cc(NC[C@H](CO)Cc2cccc(OC(F)(F)F)c2)c(C#N)c[nH+]1 ZINC000425226174 513461935 /nfs/dbraw/zinc/46/19/35/513461935.db2.gz HHLAFCLNJMZQBK-CQSZACIVSA-N 1 2 365.355 2.845 20 30 FFEDLO Cc1cccc(O[C@H](C)C(=O)N2CCN(c3cc(C)[nH+]cc3C#N)CC2)c1 ZINC000425236250 513466279 /nfs/dbraw/zinc/46/62/79/513466279.db2.gz PRFFSCXBACTTQQ-QGZVFWFLSA-N 1 2 364.449 2.686 20 30 FFEDLO Cc1cc(NC[C@H](CO)Cc2ccc(Br)cc2)c(C#N)c[nH+]1 ZINC000425265092 513482744 /nfs/dbraw/zinc/48/27/44/513482744.db2.gz YULSAJLXTADQSL-CQSZACIVSA-N 1 2 360.255 2.709 20 30 FFEDLO CCOC(=O)[C@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)Cc2ccccc21 ZINC000441122300 513491721 /nfs/dbraw/zinc/49/17/21/513491721.db2.gz HQKSRGCNPDTISD-IBGZPJMESA-N 1 2 363.417 2.659 20 30 FFEDLO CCOC(=O)[C@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)Cc2ccccc21 ZINC000441122300 513491730 /nfs/dbraw/zinc/49/17/30/513491730.db2.gz HQKSRGCNPDTISD-IBGZPJMESA-N 1 2 363.417 2.659 20 30 FFEDLO C[C@H](C#N)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000425296199 513494496 /nfs/dbraw/zinc/49/44/96/513494496.db2.gz RMNJYXCWTZQBKQ-CYBMUJFWSA-N 1 2 361.243 2.834 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+](Cc3ccc(C(N)=O)cc3)C3CC3)o2)c1 ZINC000441255616 513521977 /nfs/dbraw/zinc/52/19/77/513521977.db2.gz HKDVDBPYLHRAJK-UHFFFAOYSA-N 1 2 373.416 2.872 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+](Cc3ccc(C(N)=O)cc3)C3CC3)o2)c1 ZINC000441255616 513521981 /nfs/dbraw/zinc/52/19/81/513521981.db2.gz HKDVDBPYLHRAJK-UHFFFAOYSA-N 1 2 373.416 2.872 20 30 FFEDLO CS(=O)(=O)CC1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000430144994 513568458 /nfs/dbraw/zinc/56/84/58/513568458.db2.gz BLVYNOSJJUSQEC-UHFFFAOYSA-N 1 2 350.484 2.626 20 30 FFEDLO CC1(C)CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H]1C#N ZINC000451199440 513582335 /nfs/dbraw/zinc/58/23/35/513582335.db2.gz DWDUVVFTWQCHAC-INIZCTEOSA-N 1 2 353.382 2.935 20 30 FFEDLO C[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)[C@H]1C(=O)OC(C)(C)C ZINC000425511406 513611223 /nfs/dbraw/zinc/61/12/23/513611223.db2.gz CXNKDHFZDKWPMK-DNVCBOLYSA-N 1 2 371.481 2.617 20 30 FFEDLO C[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)[C@H]1C(=O)OC(C)(C)C ZINC000425511406 513611230 /nfs/dbraw/zinc/61/12/30/513611230.db2.gz CXNKDHFZDKWPMK-DNVCBOLYSA-N 1 2 371.481 2.617 20 30 FFEDLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425539378 513626997 /nfs/dbraw/zinc/62/69/97/513626997.db2.gz MMBFTDHHJZXSNO-IIBYNOLFSA-N 1 2 363.461 2.868 20 30 FFEDLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425539378 513627008 /nfs/dbraw/zinc/62/70/08/513627008.db2.gz MMBFTDHHJZXSNO-IIBYNOLFSA-N 1 2 363.461 2.868 20 30 FFEDLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425539381 513627930 /nfs/dbraw/zinc/62/79/30/513627930.db2.gz MMBFTDHHJZXSNO-KKSFZXQISA-N 1 2 363.461 2.868 20 30 FFEDLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425539381 513627934 /nfs/dbraw/zinc/62/79/34/513627934.db2.gz MMBFTDHHJZXSNO-KKSFZXQISA-N 1 2 363.461 2.868 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416312083 513704401 /nfs/dbraw/zinc/70/44/01/513704401.db2.gz PZOQRGHVTHVJFD-CHWSQXEVSA-N 1 2 357.479 2.609 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416312083 513704407 /nfs/dbraw/zinc/70/44/07/513704407.db2.gz PZOQRGHVTHVJFD-CHWSQXEVSA-N 1 2 357.479 2.609 20 30 FFEDLO CO[C@@](C)([C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000413684078 513763971 /nfs/dbraw/zinc/76/39/71/513763971.db2.gz HNRJMSPVGYPIAP-KKSFZXQISA-N 1 2 370.497 2.589 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000414150256 513990231 /nfs/dbraw/zinc/99/02/31/513990231.db2.gz OUGSCTQWAIDSJQ-GOSISDBHSA-N 1 2 371.412 2.663 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000414150256 513990239 /nfs/dbraw/zinc/99/02/39/513990239.db2.gz OUGSCTQWAIDSJQ-GOSISDBHSA-N 1 2 371.412 2.663 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451876368 514037057 /nfs/dbraw/zinc/03/70/57/514037057.db2.gz XVRWLLIIESUXFD-UONOGXRCSA-N 1 2 368.403 2.701 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451876368 514037063 /nfs/dbraw/zinc/03/70/63/514037063.db2.gz XVRWLLIIESUXFD-UONOGXRCSA-N 1 2 368.403 2.701 20 30 FFEDLO Cc1cc(S(=O)(=O)NCc2cccc(Cn3cc[nH+]c3)c2)ccc1C#N ZINC000443971192 514086855 /nfs/dbraw/zinc/08/68/55/514086855.db2.gz VJJKQZWTUJEBSF-UHFFFAOYSA-N 1 2 366.446 2.590 20 30 FFEDLO COCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(F)c(Cl)c1 ZINC000451978931 514106442 /nfs/dbraw/zinc/10/64/42/514106442.db2.gz QAKNWSSRZOHFLA-SFHVURJKSA-N 1 2 367.852 2.736 20 30 FFEDLO COCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(F)c(Cl)c1 ZINC000451978931 514106446 /nfs/dbraw/zinc/10/64/46/514106446.db2.gz QAKNWSSRZOHFLA-SFHVURJKSA-N 1 2 367.852 2.736 20 30 FFEDLO C[C@H](O)[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000414563485 514181853 /nfs/dbraw/zinc/18/18/53/514181853.db2.gz BVYZBQGTJQFDJN-KKSFZXQISA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@H](O)[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000414563485 514181858 /nfs/dbraw/zinc/18/18/58/514181858.db2.gz BVYZBQGTJQFDJN-KKSFZXQISA-N 1 2 352.434 2.719 20 30 FFEDLO CCOC(=O)c1csc(C[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000433190537 514413090 /nfs/dbraw/zinc/41/30/90/514413090.db2.gz VVNHPCAHZPHUGI-UHFFFAOYSA-N 1 2 359.451 2.840 20 30 FFEDLO CCOC(=O)c1csc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000433190537 514413096 /nfs/dbraw/zinc/41/30/96/514413096.db2.gz VVNHPCAHZPHUGI-UHFFFAOYSA-N 1 2 359.451 2.840 20 30 FFEDLO Cc1ccc(OC(F)F)c(CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000428236557 514429545 /nfs/dbraw/zinc/42/95/45/514429545.db2.gz HTGRCHCBVGXTSB-UHFFFAOYSA-N 1 2 353.413 2.644 20 30 FFEDLO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000421028862 514446675 /nfs/dbraw/zinc/44/66/75/514446675.db2.gz UWFNZSJUJUULPZ-OCCSQVGLSA-N 1 2 363.483 2.858 20 30 FFEDLO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000421028862 514446682 /nfs/dbraw/zinc/44/66/82/514446682.db2.gz UWFNZSJUJUULPZ-OCCSQVGLSA-N 1 2 363.483 2.858 20 30 FFEDLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000421028863 514447830 /nfs/dbraw/zinc/44/78/30/514447830.db2.gz UWFNZSJUJUULPZ-TZMCWYRMSA-N 1 2 363.483 2.858 20 30 FFEDLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000421028863 514447834 /nfs/dbraw/zinc/44/78/34/514447834.db2.gz UWFNZSJUJUULPZ-TZMCWYRMSA-N 1 2 363.483 2.858 20 30 FFEDLO COc1ccc2c(c1)OC(C)(C)C[N@H+]([C@H](C(N)=O)c1ccc(C#N)cc1)C2 ZINC000421033610 514450700 /nfs/dbraw/zinc/45/07/00/514450700.db2.gz GBSNOLUHXFTGFM-IBGZPJMESA-N 1 2 365.433 2.766 20 30 FFEDLO COc1ccc2c(c1)OC(C)(C)C[N@@H+]([C@H](C(N)=O)c1ccc(C#N)cc1)C2 ZINC000421033610 514450703 /nfs/dbraw/zinc/45/07/03/514450703.db2.gz GBSNOLUHXFTGFM-IBGZPJMESA-N 1 2 365.433 2.766 20 30 FFEDLO Cc1cc(CNC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)cc(C)[nH+]1 ZINC000421117109 514491512 /nfs/dbraw/zinc/49/15/12/514491512.db2.gz YIQZFSOHSAJHHD-AWEZNQCLSA-N 1 2 372.450 2.706 20 30 FFEDLO Cc1cc(CNC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)cc(C)[nH+]1 ZINC000421117113 514491640 /nfs/dbraw/zinc/49/16/40/514491640.db2.gz YIQZFSOHSAJHHD-CQSZACIVSA-N 1 2 372.450 2.706 20 30 FFEDLO N#Cc1ccc(OCCNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000466024335 514542304 /nfs/dbraw/zinc/54/23/04/514542304.db2.gz WLNTUCJXMNOYQK-UHFFFAOYSA-N 1 2 361.405 2.622 20 30 FFEDLO CC1(C)C[C@@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000455597409 514619926 /nfs/dbraw/zinc/61/99/26/514619926.db2.gz DCQMIBAPSZFCAN-IBGZPJMESA-N 1 2 370.497 2.591 20 30 FFEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000475347940 514631147 /nfs/dbraw/zinc/63/11/47/514631147.db2.gz SNPIMRIWEPJSKI-GOSISDBHSA-N 1 2 366.856 2.765 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000470846925 514638074 /nfs/dbraw/zinc/63/80/74/514638074.db2.gz BEOZWBUXEDICQY-FQEVSTJZSA-N 1 2 374.444 2.711 20 30 FFEDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)CC2)c1 ZINC000489013068 514672778 /nfs/dbraw/zinc/67/27/78/514672778.db2.gz PLNQBSPWIRSBIR-UHFFFAOYSA-N 1 2 373.453 2.512 20 30 FFEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000471027108 514726147 /nfs/dbraw/zinc/72/61/47/514726147.db2.gz DERKEGMLOWURKI-CABCVRRESA-N 1 2 361.795 2.836 20 30 FFEDLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000502708536 514747733 /nfs/dbraw/zinc/74/77/33/514747733.db2.gz YNVYYLBIYMSJDM-HNNXBMFYSA-N 1 2 359.433 2.828 20 30 FFEDLO C=CCn1c(C)cc(C(=O)CN2CC[NH+](Cc3cccc(O)c3)CC2)c1C ZINC000471185934 514787039 /nfs/dbraw/zinc/78/70/39/514787039.db2.gz KYNGSRLSNQBBRS-UHFFFAOYSA-N 1 2 367.493 2.997 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCCc2cccc(C#N)c2)CC1 ZINC000466824540 514793341 /nfs/dbraw/zinc/79/33/41/514793341.db2.gz VDHCCPFTIYLRGD-QGZVFWFLSA-N 1 2 363.465 2.584 20 30 FFEDLO C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000484789234 514797340 /nfs/dbraw/zinc/79/73/40/514797340.db2.gz TUXIKRGTJKFUPC-UHFFFAOYSA-N 1 2 362.393 2.827 20 30 FFEDLO Cc1nc(N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c(Cl)cc1C#N ZINC000461956504 514803328 /nfs/dbraw/zinc/80/33/28/514803328.db2.gz HYYCYRIVRJCZNI-GOSISDBHSA-N 1 2 364.877 2.815 20 30 FFEDLO CCN(C)c1ccc(CNc2ccn(-c3cccc(F)c3C#N)n2)c[nH+]1 ZINC000480264358 514902226 /nfs/dbraw/zinc/90/22/26/514902226.db2.gz LDWQQNRSUXNWDI-UHFFFAOYSA-N 1 2 350.401 2.768 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCCOc1ccc(C#N)cc1 ZINC000476110455 514919284 /nfs/dbraw/zinc/91/92/84/514919284.db2.gz NNPJOVALOGPIKQ-UHFFFAOYSA-N 1 2 370.359 2.690 20 30 FFEDLO CCOC(=O)c1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)[nH]c1C ZINC000485251514 514972941 /nfs/dbraw/zinc/97/29/41/514972941.db2.gz MJHPBEBIQATWBL-FQEVSTJZSA-N 1 2 366.465 2.882 20 30 FFEDLO C=C(C)CCNC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000453883328 514983524 /nfs/dbraw/zinc/98/35/24/514983524.db2.gz SRQSMUUHOYRITI-UHFFFAOYSA-N 1 2 352.438 2.907 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503501439 515056979 /nfs/dbraw/zinc/05/69/79/515056979.db2.gz CCNGURCRDURXHJ-UHFFFAOYSA-N 1 2 374.853 2.848 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc4c(c3)OC(F)(F)O4)CC2)nc1 ZINC000509276294 515106286 /nfs/dbraw/zinc/10/62/86/515106286.db2.gz JIOWDQMNJGOAEU-UHFFFAOYSA-N 1 2 358.348 2.597 20 30 FFEDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)c1c(F)c(F)cc(F)c1F ZINC000480889010 515127113 /nfs/dbraw/zinc/12/71/13/515127113.db2.gz ZYFJUDCHKRTWTQ-UHFFFAOYSA-N 1 2 355.213 2.932 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000504251804 515252078 /nfs/dbraw/zinc/25/20/78/515252078.db2.gz QZDJTNMATKEMFS-QAPCUYQASA-N 1 2 374.366 2.936 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000504251804 515252089 /nfs/dbraw/zinc/25/20/89/515252089.db2.gz QZDJTNMATKEMFS-QAPCUYQASA-N 1 2 374.366 2.936 20 30 FFEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NCC(C)(C)CCC#N)cc1 ZINC000476930415 515253853 /nfs/dbraw/zinc/25/38/53/515253853.db2.gz KFKAIAXLPYCIQB-IBGZPJMESA-N 1 2 372.513 2.998 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000504277590 515258335 /nfs/dbraw/zinc/25/83/35/515258335.db2.gz WECFWVLQLVVJQY-UHFFFAOYSA-N 1 2 350.466 2.961 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000481240696 515258869 /nfs/dbraw/zinc/25/88/69/515258869.db2.gz SDWJCARQUBSDGM-HRAATJIYSA-N 1 2 365.481 2.673 20 30 FFEDLO N#Cc1cc(F)ccc1NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000462841053 515264484 /nfs/dbraw/zinc/26/44/84/515264484.db2.gz ORNYRIUXGOYMNR-UHFFFAOYSA-N 1 2 358.461 2.834 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000468766887 515510143 /nfs/dbraw/zinc/51/01/43/515510143.db2.gz AYYPLTGZAXCBIF-HOTGVXAUSA-N 1 2 374.916 2.970 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000454495406 515531038 /nfs/dbraw/zinc/53/10/38/515531038.db2.gz BHWIZIXTJZSPIK-XYJFISCASA-N 1 2 361.486 2.744 20 30 FFEDLO CN(C)c1ncc(C[N@H+](C)Cc2cc(C#N)ccc2Br)cn1 ZINC000492789033 515564576 /nfs/dbraw/zinc/56/45/76/515564576.db2.gz KQACOKJCTGSRPN-UHFFFAOYSA-N 1 2 360.259 2.809 20 30 FFEDLO CN(C)c1ncc(C[N@@H+](C)Cc2cc(C#N)ccc2Br)cn1 ZINC000492789033 515564588 /nfs/dbraw/zinc/56/45/88/515564588.db2.gz KQACOKJCTGSRPN-UHFFFAOYSA-N 1 2 360.259 2.809 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)C1=O ZINC000500029188 515565094 /nfs/dbraw/zinc/56/50/94/515565094.db2.gz ZSTXDXMDNCNBQV-YLJYHZDGSA-N 1 2 371.525 2.781 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)C1=O ZINC000500029188 515565105 /nfs/dbraw/zinc/56/51/05/515565105.db2.gz ZSTXDXMDNCNBQV-YLJYHZDGSA-N 1 2 371.525 2.781 20 30 FFEDLO CCOc1cc2c(cc1OCC)C[N@@H+]([C@H](C)C(=O)NC1(C#N)CCC1)CC2 ZINC000468887740 515566434 /nfs/dbraw/zinc/56/64/34/515566434.db2.gz IPZOTONGZNPRIT-OAHLLOKOSA-N 1 2 371.481 2.793 20 30 FFEDLO CCOc1cc2c(cc1OCC)C[N@H+]([C@H](C)C(=O)NC1(C#N)CCC1)CC2 ZINC000468887740 515566442 /nfs/dbraw/zinc/56/64/42/515566442.db2.gz IPZOTONGZNPRIT-OAHLLOKOSA-N 1 2 371.481 2.793 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000500102483 515592049 /nfs/dbraw/zinc/59/20/49/515592049.db2.gz NBYXSALXKKEKKW-MRXNPFEDSA-N 1 2 372.469 2.942 20 30 FFEDLO COC(=O)c1ccc(N2CC[NH+](Cc3cc(C#N)ccc3OC)CC2)s1 ZINC000459507765 515604486 /nfs/dbraw/zinc/60/44/86/515604486.db2.gz IEDAOAJYEHCSCC-UHFFFAOYSA-N 1 2 371.462 2.737 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000459527149 515622308 /nfs/dbraw/zinc/62/23/08/515622308.db2.gz YGUPVVVEWMKOTQ-IEBWSBKVSA-N 1 2 355.369 2.766 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000459527149 515622312 /nfs/dbraw/zinc/62/23/12/515622312.db2.gz YGUPVVVEWMKOTQ-IEBWSBKVSA-N 1 2 355.369 2.766 20 30 FFEDLO COC(=O)c1cccc2c1CC[N@@H+]([C@@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000459540753 515634051 /nfs/dbraw/zinc/63/40/51/515634051.db2.gz RJJVKWADWFXWOO-HNNXBMFYSA-N 1 2 369.465 2.562 20 30 FFEDLO COC(=O)c1cccc2c1CC[N@H+]([C@@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000459540753 515634060 /nfs/dbraw/zinc/63/40/60/515634060.db2.gz RJJVKWADWFXWOO-HNNXBMFYSA-N 1 2 369.465 2.562 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000500600232 515786716 /nfs/dbraw/zinc/78/67/16/515786716.db2.gz JCMJKESQOTULQM-UHFFFAOYSA-N 1 2 371.525 2.578 20 30 FFEDLO COC(=O)c1ccc(F)c(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000511140467 515802931 /nfs/dbraw/zinc/80/29/31/515802931.db2.gz GGDPTOSPZASKRJ-UHFFFAOYSA-N 1 2 371.387 2.945 20 30 FFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2cccc(SCC#N)c2)CC1 ZINC000500671071 515811111 /nfs/dbraw/zinc/81/11/11/515811111.db2.gz WSTUKXNYTFZOLM-UHFFFAOYSA-N 1 2 352.463 2.968 20 30 FFEDLO Cc1c(Cl)cncc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000457386993 515841448 /nfs/dbraw/zinc/84/14/48/515841448.db2.gz LUFURPVMKCKTCR-UHFFFAOYSA-N 1 2 354.841 2.873 20 30 FFEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cc(C)c(C#N)cn3)CC2)c1 ZINC000457520182 515939237 /nfs/dbraw/zinc/93/92/37/515939237.db2.gz FKPFHCAERRQMNN-INIZCTEOSA-N 1 2 364.449 2.789 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464798756 515965173 /nfs/dbraw/zinc/96/51/73/515965173.db2.gz KSYWRBZZSJIGSW-IBGZPJMESA-N 1 2 359.495 2.505 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464798756 515965182 /nfs/dbraw/zinc/96/51/82/515965182.db2.gz KSYWRBZZSJIGSW-IBGZPJMESA-N 1 2 359.495 2.505 20 30 FFEDLO N#Cc1ccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c(F)c1 ZINC000479041723 516036314 /nfs/dbraw/zinc/03/63/14/516036314.db2.gz PZBYNGNFIGJKQL-OAHLLOKOSA-N 1 2 362.202 2.776 20 30 FFEDLO C[C@@H]1CCC[C@](C#N)(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000479147122 516077826 /nfs/dbraw/zinc/07/78/26/516077826.db2.gz YOVYHFJKEDAISZ-QAPCUYQASA-N 1 2 358.467 2.682 20 30 FFEDLO Cc1nc(N2CC[NH+](CC(=O)Nc3ccc(Cl)cc3)CC2)ccc1C#N ZINC000488092261 516114461 /nfs/dbraw/zinc/11/44/61/516114461.db2.gz USIYXUAWCMJKSB-UHFFFAOYSA-N 1 2 369.856 2.676 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000507279020 516154673 /nfs/dbraw/zinc/15/46/73/516154673.db2.gz AEZWCWZITDROQJ-GHTZIAJQSA-N 1 2 366.509 2.861 20 30 FFEDLO C[C@H](NC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1)c1ccc(F)cc1 ZINC000507297915 516161834 /nfs/dbraw/zinc/16/18/34/516161834.db2.gz RDPJAASISIJACA-INIZCTEOSA-N 1 2 366.440 2.697 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000488219888 516162061 /nfs/dbraw/zinc/16/20/61/516162061.db2.gz PHZFCRMHYMBVJE-QGZVFWFLSA-N 1 2 360.502 2.763 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCCc1cccs1 ZINC000512420980 516271089 /nfs/dbraw/zinc/27/10/89/516271089.db2.gz OUYDVIOYKOIQDH-HNNXBMFYSA-N 1 2 362.495 2.959 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCCc1cccs1 ZINC000512420980 516271094 /nfs/dbraw/zinc/27/10/94/516271094.db2.gz OUYDVIOYKOIQDH-HNNXBMFYSA-N 1 2 362.495 2.959 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000501993352 516281717 /nfs/dbraw/zinc/28/17/17/516281717.db2.gz GHLAYDZGQRFWEH-KRWDZBQOSA-N 1 2 350.466 2.820 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000501993352 516281721 /nfs/dbraw/zinc/28/17/21/516281721.db2.gz GHLAYDZGQRFWEH-KRWDZBQOSA-N 1 2 350.466 2.820 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000488748922 516300341 /nfs/dbraw/zinc/30/03/41/516300341.db2.gz ICLVMPHJWFWMIF-WBVHZDCISA-N 1 2 359.495 2.927 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000488748922 516300346 /nfs/dbraw/zinc/30/03/46/516300346.db2.gz ICLVMPHJWFWMIF-WBVHZDCISA-N 1 2 359.495 2.927 20 30 FFEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC(C)(C)[C@@H]2c2cccs2)CC1 ZINC000554309335 516376569 /nfs/dbraw/zinc/37/65/69/516376569.db2.gz QDBNFANXOUAMND-LPHOPBHVSA-N 1 2 374.554 2.823 20 30 FFEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC(C)(C)[C@@H]2c2cccs2)CC1 ZINC000554309335 516376578 /nfs/dbraw/zinc/37/65/78/516376578.db2.gz QDBNFANXOUAMND-LPHOPBHVSA-N 1 2 374.554 2.823 20 30 FFEDLO CC1(C)CN(S(=O)(=O)CC2(C#N)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000517627163 516387001 /nfs/dbraw/zinc/38/70/01/516387001.db2.gz PHEHAOWAUNQCND-UHFFFAOYSA-N 1 2 361.511 2.606 20 30 FFEDLO CC1(C)CN(S(=O)(=O)CC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000517627163 516387008 /nfs/dbraw/zinc/38/70/08/516387008.db2.gz PHEHAOWAUNQCND-UHFFFAOYSA-N 1 2 361.511 2.606 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2ccc(OC)cc2CC1 ZINC000535554080 516398460 /nfs/dbraw/zinc/39/84/60/516398460.db2.gz KEIPTBZSQZDKEZ-HXUWFJFHSA-N 1 2 350.418 2.882 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2ccc(OC)cc2CC1 ZINC000535554080 516398466 /nfs/dbraw/zinc/39/84/66/516398466.db2.gz KEIPTBZSQZDKEZ-HXUWFJFHSA-N 1 2 350.418 2.882 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCOCC23CCCC3)cc1 ZINC000535677159 516446881 /nfs/dbraw/zinc/44/68/81/516446881.db2.gz VOIWFSIXJMNBCN-UHFFFAOYSA-N 1 2 371.481 2.977 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCOCC23CCCC3)cc1 ZINC000535677159 516446890 /nfs/dbraw/zinc/44/68/90/516446890.db2.gz VOIWFSIXJMNBCN-UHFFFAOYSA-N 1 2 371.481 2.977 20 30 FFEDLO N#Cc1ccncc1C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000513057796 516457112 /nfs/dbraw/zinc/45/71/12/516457112.db2.gz NABKMTRXRHHODO-AWEZNQCLSA-N 1 2 356.376 2.626 20 30 FFEDLO N#Cc1ccncc1C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000513057796 516457118 /nfs/dbraw/zinc/45/71/18/516457118.db2.gz NABKMTRXRHHODO-AWEZNQCLSA-N 1 2 356.376 2.626 20 30 FFEDLO CN(C(=O)C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1)C1(C#N)CCCCC1 ZINC000523440503 516472212 /nfs/dbraw/zinc/47/22/12/516472212.db2.gz MUUPVULGCHCTRJ-AWEZNQCLSA-N 1 2 361.408 2.715 20 30 FFEDLO CN(C(=O)C[N@H+]1CCC[C@H](OCC(F)(F)F)C1)C1(C#N)CCCCC1 ZINC000523440503 516472221 /nfs/dbraw/zinc/47/22/21/516472221.db2.gz MUUPVULGCHCTRJ-AWEZNQCLSA-N 1 2 361.408 2.715 20 30 FFEDLO CC(C)[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1nc(-c2ccncc2)no1 ZINC000551065461 516546236 /nfs/dbraw/zinc/54/62/36/516546236.db2.gz WABNSOWHFPERTM-INIZCTEOSA-N 1 2 374.408 2.533 20 30 FFEDLO C=CCOc1cccnc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000540440232 516555973 /nfs/dbraw/zinc/55/59/73/516555973.db2.gz VDGKNJUHWWVUOH-UHFFFAOYSA-N 1 2 352.438 2.962 20 30 FFEDLO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000558166157 516626535 /nfs/dbraw/zinc/62/65/35/516626535.db2.gz XMJFPUXMZDIUOL-KSSFIOAISA-N 1 2 373.453 2.949 20 30 FFEDLO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000558166157 516626544 /nfs/dbraw/zinc/62/65/44/516626544.db2.gz XMJFPUXMZDIUOL-KSSFIOAISA-N 1 2 373.453 2.949 20 30 FFEDLO CC(C)(C#N)CCS(=O)(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000554905415 516692052 /nfs/dbraw/zinc/69/20/52/516692052.db2.gz MEXMHSRYZUFCEH-UHFFFAOYSA-N 1 2 363.527 2.852 20 30 FFEDLO CC(C)(C#N)CCS(=O)(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000554905415 516692060 /nfs/dbraw/zinc/69/20/60/516692060.db2.gz MEXMHSRYZUFCEH-UHFFFAOYSA-N 1 2 363.527 2.852 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c2ccccc21 ZINC000528785228 516695682 /nfs/dbraw/zinc/69/56/82/516695682.db2.gz REESKQUDNXXFEY-MOZQLWJVSA-N 1 2 369.490 2.723 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c2ccccc21 ZINC000528785228 516695694 /nfs/dbraw/zinc/69/56/94/516695694.db2.gz REESKQUDNXXFEY-MOZQLWJVSA-N 1 2 369.490 2.723 20 30 FFEDLO N#C[C@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000513676917 516715981 /nfs/dbraw/zinc/71/59/81/516715981.db2.gz MZJXKUOLQMNWFH-XOBRGWDASA-N 1 2 351.381 2.550 20 30 FFEDLO N#C[C@H]1C[N@H+](CCOc2cccc(F)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000513676917 516715990 /nfs/dbraw/zinc/71/59/90/516715990.db2.gz MZJXKUOLQMNWFH-XOBRGWDASA-N 1 2 351.381 2.550 20 30 FFEDLO CC(C)OCc1nc([C@H](C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)no1 ZINC000554969843 516726714 /nfs/dbraw/zinc/72/67/14/516726714.db2.gz ZDAXBSZYOKTRKA-ZDUSSCGKSA-N 1 2 357.414 2.546 20 30 FFEDLO CC[C@@H](CO)[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000544407984 516746301 /nfs/dbraw/zinc/74/63/01/516746301.db2.gz UDKRWVRBBZZZAV-IBGZPJMESA-N 1 2 372.490 2.605 20 30 FFEDLO CC[C@@H](CO)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000544407984 516746311 /nfs/dbraw/zinc/74/63/11/516746311.db2.gz UDKRWVRBBZZZAV-IBGZPJMESA-N 1 2 372.490 2.605 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000544514107 516792353 /nfs/dbraw/zinc/79/23/53/516792353.db2.gz HRHHFVIVVPPGCG-ZDUSSCGKSA-N 1 2 353.488 2.703 20 30 FFEDLO Cn1c2ccc(NC(=O)C(=O)N3CCC(CC#N)CC3)cc2[nH+]c1C1CC1 ZINC000541040647 516842453 /nfs/dbraw/zinc/84/24/53/516842453.db2.gz CDEKVILWDDHLBO-UHFFFAOYSA-N 1 2 365.437 2.541 20 30 FFEDLO CN(C)c1[nH]c2ccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2[nH+]1 ZINC000555318144 516878357 /nfs/dbraw/zinc/87/83/57/516878357.db2.gz VIMZFLLECPVQDJ-OAHLLOKOSA-N 1 2 358.405 2.822 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000532333459 516918182 /nfs/dbraw/zinc/91/81/82/516918182.db2.gz WVRAWEVVZXJANI-UHFFFAOYSA-N 1 2 356.466 2.870 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000555461960 516936229 /nfs/dbraw/zinc/93/62/29/516936229.db2.gz FTEBMLSVQKDZDK-SFHVURJKSA-N 1 2 372.494 2.776 20 30 FFEDLO N#C[C@@H]1N(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CCC[C@@]12CCCCO2 ZINC000551923584 516960502 /nfs/dbraw/zinc/96/05/02/516960502.db2.gz GDHKVHMUZACXTL-FPOVZHCZSA-N 1 2 364.449 2.999 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(O)ccc3Br)CC2)n1 ZINC000544931999 516992469 /nfs/dbraw/zinc/99/24/69/516992469.db2.gz AHDKESXAUFATNW-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO Cc1nsc(N2CCN(c3[nH+]c4ccc(F)cc4n3C)CC2)c1C#N ZINC000562396993 517079368 /nfs/dbraw/zinc/07/93/68/517079368.db2.gz YHSQSRJUGRYGGV-UHFFFAOYSA-N 1 2 356.430 2.676 20 30 FFEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc3ccc(Cl)c(C)c3n2)CC1 ZINC000537205908 517085730 /nfs/dbraw/zinc/08/57/30/517085730.db2.gz DERKAFPVWURHIC-UHFFFAOYSA-N 1 2 358.873 2.621 20 30 FFEDLO C[S@@](=O)C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000541611167 517138843 /nfs/dbraw/zinc/13/88/43/517138843.db2.gz OPOVLVRTEJOZMT-WGDIFIGCSA-N 1 2 366.446 2.818 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000555880028 517164673 /nfs/dbraw/zinc/16/46/73/517164673.db2.gz HVNYXOCWHQKCEF-ROUUACIJSA-N 1 2 352.438 2.631 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000555880028 517164682 /nfs/dbraw/zinc/16/46/82/517164682.db2.gz HVNYXOCWHQKCEF-ROUUACIJSA-N 1 2 352.438 2.631 20 30 FFEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000541689674 517175047 /nfs/dbraw/zinc/17/50/47/517175047.db2.gz ITGIZSSZXVOXRA-CYBMUJFWSA-N 1 2 359.405 2.597 20 30 FFEDLO C=CCCCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000545330872 517179262 /nfs/dbraw/zinc/17/92/62/517179262.db2.gz DOBAZOQWBFMPQE-INIZCTEOSA-N 1 2 350.532 2.692 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[NH+]2CC(OCCCc3ccccc3)C2)cc1 ZINC000545342942 517187014 /nfs/dbraw/zinc/18/70/14/517187014.db2.gz OCMMOPZAWGZWEK-HXUWFJFHSA-N 1 2 366.461 2.632 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1C#N ZINC000515127067 517221025 /nfs/dbraw/zinc/22/10/25/517221025.db2.gz VQXIAJSHSNFFBJ-CTNGQTDRSA-N 1 2 368.408 2.645 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1C#N ZINC000515127067 517221030 /nfs/dbraw/zinc/22/10/30/517221030.db2.gz VQXIAJSHSNFFBJ-CTNGQTDRSA-N 1 2 368.408 2.645 20 30 FFEDLO C[C@@H]1C[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC000537597036 517249835 /nfs/dbraw/zinc/24/98/35/517249835.db2.gz NYVCHVWWMLGTLP-AEFFLSMTSA-N 1 2 353.466 2.666 20 30 FFEDLO CCc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1 ZINC000545505566 517271551 /nfs/dbraw/zinc/27/15/51/517271551.db2.gz RGVDYPMIJSMBSK-INIZCTEOSA-N 1 2 363.465 2.665 20 30 FFEDLO C=CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000520168631 517286971 /nfs/dbraw/zinc/28/69/71/517286971.db2.gz LIVOPJURZNWZBC-UHFFFAOYSA-N 1 2 364.405 2.771 20 30 FFEDLO C=CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000520168631 517286977 /nfs/dbraw/zinc/28/69/77/517286977.db2.gz LIVOPJURZNWZBC-UHFFFAOYSA-N 1 2 364.405 2.771 20 30 FFEDLO N#Cc1ccc(C(=O)CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000552670460 517340537 /nfs/dbraw/zinc/34/05/37/517340537.db2.gz FUGNDJRXBJFGKQ-LJQANCHMSA-N 1 2 365.408 2.661 20 30 FFEDLO N#Cc1ccc(C(=O)CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000552670460 517340547 /nfs/dbraw/zinc/34/05/47/517340547.db2.gz FUGNDJRXBJFGKQ-LJQANCHMSA-N 1 2 365.408 2.661 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000529833455 517378376 /nfs/dbraw/zinc/37/83/76/517378376.db2.gz SNLUJTPIFWDAAI-HNNXBMFYSA-N 1 2 371.387 2.849 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000529833455 517378381 /nfs/dbraw/zinc/37/83/81/517378381.db2.gz SNLUJTPIFWDAAI-HNNXBMFYSA-N 1 2 371.387 2.849 20 30 FFEDLO Cc1cc(C#N)nc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1 ZINC000552906820 517438073 /nfs/dbraw/zinc/43/80/73/517438073.db2.gz BCYYHGPLPCNOJM-UHFFFAOYSA-N 1 2 357.845 2.511 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c1Cl ZINC000552909590 517438233 /nfs/dbraw/zinc/43/82/33/517438233.db2.gz ICLJRKIEIQLQGB-UHFFFAOYSA-N 1 2 370.840 2.700 20 30 FFEDLO COCCN(C(C)=O)c1nc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cs1 ZINC000556512782 517470566 /nfs/dbraw/zinc/47/05/66/517470566.db2.gz QXHUHGAJCPGCQD-UHFFFAOYSA-N 1 2 370.478 2.793 20 30 FFEDLO Cn1cc(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000515984196 517528734 /nfs/dbraw/zinc/52/87/34/517528734.db2.gz BXKZTSHDKLJOEN-RUZDIDTESA-N 1 2 356.495 2.692 20 30 FFEDLO Cn1cc(C[N@H+]2CC[S@@](=O)C(C)(C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000515984196 517528740 /nfs/dbraw/zinc/52/87/40/517528740.db2.gz BXKZTSHDKLJOEN-RUZDIDTESA-N 1 2 356.495 2.692 20 30 FFEDLO Cc1nc2cc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc2o1 ZINC000527154777 517530223 /nfs/dbraw/zinc/53/02/23/517530223.db2.gz HGDZGAXEVHTYBJ-UHFFFAOYSA-N 1 2 360.417 2.966 20 30 FFEDLO CCn1c(C[NH+]2CCN(c3cccc(C#N)n3)CC2)nc2cc(F)ccc21 ZINC000546212675 517598314 /nfs/dbraw/zinc/59/83/14/517598314.db2.gz CTDLKIRQZOBTFY-UHFFFAOYSA-N 1 2 364.428 2.784 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000516253932 517638926 /nfs/dbraw/zinc/63/89/26/517638926.db2.gz DYGJIDVIKJEQKY-AHRSYUTCSA-N 1 2 373.497 2.817 20 30 FFEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000539376862 518016238 /nfs/dbraw/zinc/01/62/38/518016238.db2.gz MRHVTPSVYALJQJ-UHFFFAOYSA-N 1 2 372.372 2.532 20 30 FFEDLO CC#CC[N@@H+](C)CC(=O)Nc1c(C(=O)OCC)sc2nc(C)cc(C)c21 ZINC000550489446 518082628 /nfs/dbraw/zinc/08/26/28/518082628.db2.gz INJLSIGUSHUHPE-UHFFFAOYSA-N 1 2 373.478 2.983 20 30 FFEDLO CC#CC[N@H+](C)CC(=O)Nc1c(C(=O)OCC)sc2nc(C)cc(C)c21 ZINC000550489446 518082632 /nfs/dbraw/zinc/08/26/32/518082632.db2.gz INJLSIGUSHUHPE-UHFFFAOYSA-N 1 2 373.478 2.983 20 30 FFEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cccc(C(F)F)c1C#N ZINC000528130668 518110898 /nfs/dbraw/zinc/11/08/98/518110898.db2.gz NLDUREHZGJSXKR-SFHVURJKSA-N 1 2 351.397 2.524 20 30 FFEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cccc(C(F)F)c1C#N ZINC000528130668 518110903 /nfs/dbraw/zinc/11/09/03/518110903.db2.gz NLDUREHZGJSXKR-SFHVURJKSA-N 1 2 351.397 2.524 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(Cl)cc1 ZINC000563771011 518115955 /nfs/dbraw/zinc/11/59/55/518115955.db2.gz RQBAIWPHWLUCDS-UHFFFAOYSA-N 1 2 363.870 2.902 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(Cl)cc1 ZINC000563771011 518115960 /nfs/dbraw/zinc/11/59/60/518115960.db2.gz RQBAIWPHWLUCDS-UHFFFAOYSA-N 1 2 363.870 2.902 20 30 FFEDLO C=CCCCCCN(C)C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000563794212 518126786 /nfs/dbraw/zinc/12/67/86/518126786.db2.gz HOSKUHQSISHVOK-UHFFFAOYSA-N 1 2 363.527 2.597 20 30 FFEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)N=c1ccn(CCC#N)[nH]1 ZINC000539857303 518172330 /nfs/dbraw/zinc/17/23/30/518172330.db2.gz AOJBWGBHIZVCID-UHFFFAOYSA-N 1 2 350.426 2.550 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000584240981 518244111 /nfs/dbraw/zinc/24/41/11/518244111.db2.gz YOCCMDKABQAZQL-GOSISDBHSA-N 1 2 352.434 2.609 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000584240981 518244117 /nfs/dbraw/zinc/24/41/17/518244117.db2.gz YOCCMDKABQAZQL-GOSISDBHSA-N 1 2 352.434 2.609 20 30 FFEDLO C=CCOc1ccccc1C[NH+]1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000578679883 518323033 /nfs/dbraw/zinc/32/30/33/518323033.db2.gz VTTAKQUVMXMUEE-OAQYLSRUSA-N 1 2 365.477 2.596 20 30 FFEDLO C[C@@H](CC(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)n1cc[nH+]c1 ZINC000567054204 518330149 /nfs/dbraw/zinc/33/01/49/518330149.db2.gz CLQYBAKDOWVKLC-MAUKXSAKSA-N 1 2 371.872 2.897 20 30 FFEDLO C=C[C@@H]1CCCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000567091083 518345574 /nfs/dbraw/zinc/34/55/74/518345574.db2.gz IFTUCRYDUGQJKV-MSOLQXFVSA-N 1 2 358.486 2.584 20 30 FFEDLO C=C[C@@H]1CCCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000567091083 518345582 /nfs/dbraw/zinc/34/55/82/518345582.db2.gz IFTUCRYDUGQJKV-MSOLQXFVSA-N 1 2 358.486 2.584 20 30 FFEDLO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000569931637 518361514 /nfs/dbraw/zinc/36/15/14/518361514.db2.gz GJFSPZUKRBICTK-QGZVFWFLSA-N 1 2 350.378 2.704 20 30 FFEDLO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000569931637 518361520 /nfs/dbraw/zinc/36/15/20/518361520.db2.gz GJFSPZUKRBICTK-QGZVFWFLSA-N 1 2 350.378 2.704 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000564534577 518490758 /nfs/dbraw/zinc/49/07/58/518490758.db2.gz ACUCUZHZFBQETP-VSZNYVQBSA-N 1 2 365.424 2.743 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000564534577 518490766 /nfs/dbraw/zinc/49/07/66/518490766.db2.gz ACUCUZHZFBQETP-VSZNYVQBSA-N 1 2 365.424 2.743 20 30 FFEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000564556241 518501276 /nfs/dbraw/zinc/50/12/76/518501276.db2.gz PVIMTEMHCBSWMU-DOMZBBRYSA-N 1 2 366.343 2.724 20 30 FFEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1I ZINC000573106348 518512082 /nfs/dbraw/zinc/51/20/82/518512082.db2.gz SMYDXWYGVIIFBY-SNVBAGLBSA-N 1 2 357.195 2.512 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@]3(CCSC3)C2)c1C ZINC000581941710 518512990 /nfs/dbraw/zinc/51/29/90/518512990.db2.gz ZSTHZQGYAFHYTH-HXUWFJFHSA-N 1 2 373.522 2.758 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@]3(CCSC3)C2)c1C ZINC000581941710 518512995 /nfs/dbraw/zinc/51/29/95/518512995.db2.gz ZSTHZQGYAFHYTH-HXUWFJFHSA-N 1 2 373.522 2.758 20 30 FFEDLO CCN(CC)c1ccc(CNC(=O)NCc2ccc(C#N)c(OC)c2)c[nH+]1 ZINC000567435337 518520806 /nfs/dbraw/zinc/52/08/06/518520806.db2.gz BOFPYOAIEKBSRI-UHFFFAOYSA-N 1 2 367.453 2.807 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H]1C ZINC000585675367 518558345 /nfs/dbraw/zinc/55/83/45/518558345.db2.gz ULMYJDMLCQFVRG-LQWHRVPQSA-N 1 2 368.525 2.617 20 30 FFEDLO CCc1cccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000570575950 518676398 /nfs/dbraw/zinc/67/63/98/518676398.db2.gz VOHCRGYMIZZKRC-GOSISDBHSA-N 1 2 350.422 2.607 20 30 FFEDLO CCc1cccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000570575950 518676400 /nfs/dbraw/zinc/67/64/00/518676400.db2.gz VOHCRGYMIZZKRC-GOSISDBHSA-N 1 2 350.422 2.607 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000573603779 518746978 /nfs/dbraw/zinc/74/69/78/518746978.db2.gz QFMJMWJZHPPWES-SJKOYZFVSA-N 1 2 365.886 2.747 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000573603779 518746979 /nfs/dbraw/zinc/74/69/79/518746979.db2.gz QFMJMWJZHPPWES-SJKOYZFVSA-N 1 2 365.886 2.747 20 30 FFEDLO Cc1cc(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1Br ZINC000573614758 518752080 /nfs/dbraw/zinc/75/20/80/518752080.db2.gz OLYYTGXIAUHWMJ-INIZCTEOSA-N 1 2 352.276 2.650 20 30 FFEDLO C[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000567896498 518774194 /nfs/dbraw/zinc/77/41/94/518774194.db2.gz UNJRSEMKJLOPKM-UGSOOPFHSA-N 1 2 351.385 2.702 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000567896498 518774199 /nfs/dbraw/zinc/77/41/99/518774199.db2.gz UNJRSEMKJLOPKM-UGSOOPFHSA-N 1 2 351.385 2.702 20 30 FFEDLO CC(C)c1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2cnn(C(C)C)c2n1 ZINC000582610467 518837015 /nfs/dbraw/zinc/83/70/15/518837015.db2.gz XROADVXQUPFZJS-LJQANCHMSA-N 1 2 356.474 2.709 20 30 FFEDLO C=CCc1cc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)cc(OC)c1OC ZINC000576946887 518841546 /nfs/dbraw/zinc/84/15/46/518841546.db2.gz YEVRXTVVKVEOPS-INIZCTEOSA-N 1 2 355.438 2.508 20 30 FFEDLO N#Cc1ccc(OCC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cc1 ZINC000588845456 518847553 /nfs/dbraw/zinc/84/75/53/518847553.db2.gz FMCVFCZDSNBLOA-UHFFFAOYSA-N 1 2 370.478 2.558 20 30 FFEDLO C=CC[N@H+](CCOC)Cc1cn(-c2ccccc2Br)nn1 ZINC000573915594 518897463 /nfs/dbraw/zinc/89/74/63/518897463.db2.gz KODDQQFMJJTNJA-UHFFFAOYSA-N 1 2 351.248 2.664 20 30 FFEDLO C=CC[N@@H+](CCOC)Cc1cn(-c2ccccc2Br)nn1 ZINC000573915594 518897459 /nfs/dbraw/zinc/89/74/59/518897459.db2.gz KODDQQFMJJTNJA-UHFFFAOYSA-N 1 2 351.248 2.664 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000577111732 518919321 /nfs/dbraw/zinc/91/93/21/518919321.db2.gz NDDYEXMOMFLVDU-OLMNPRSZSA-N 1 2 356.388 2.683 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000577111732 518919330 /nfs/dbraw/zinc/91/93/30/518919330.db2.gz NDDYEXMOMFLVDU-OLMNPRSZSA-N 1 2 356.388 2.683 20 30 FFEDLO N#Cc1cc(O)cc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000589183031 518944074 /nfs/dbraw/zinc/94/40/74/518944074.db2.gz FQPFKTAVITXQCU-UHFFFAOYSA-N 1 2 350.422 2.969 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000590013259 519129512 /nfs/dbraw/zinc/12/95/12/519129512.db2.gz MZNLOTGNKZTGTA-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2cscc2C#N)CC1 ZINC000590085536 519145668 /nfs/dbraw/zinc/14/56/68/519145668.db2.gz GIBNVZYEIZKKML-UHFFFAOYSA-N 1 2 355.463 2.895 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](CC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000571617709 519180990 /nfs/dbraw/zinc/18/09/90/519180990.db2.gz BBRQOBKCBZCDTL-UHFFFAOYSA-N 1 2 364.493 2.861 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000577681616 519199871 /nfs/dbraw/zinc/19/98/71/519199871.db2.gz ZSPDBEZJLJZEEG-UHFFFAOYSA-N 1 2 353.426 2.541 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000577681616 519199874 /nfs/dbraw/zinc/19/98/74/519199874.db2.gz ZSPDBEZJLJZEEG-UHFFFAOYSA-N 1 2 353.426 2.541 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000574612851 519240878 /nfs/dbraw/zinc/24/08/78/519240878.db2.gz WTEQWDHLOKVINA-IXDOHACOSA-N 1 2 358.417 2.681 20 30 FFEDLO Cc1cc(N2CCC[C@@H]2C[C@H](C)O)c(C#N)c(N2CCC[C@@H]2C[C@@H](C)O)[nH+]1 ZINC000590581788 519273708 /nfs/dbraw/zinc/27/37/08/519273708.db2.gz OAKOTMHYROXOCW-BSDSXHPESA-N 1 2 372.513 2.741 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC000583503371 519284602 /nfs/dbraw/zinc/28/46/02/519284602.db2.gz ZFDYRFHTBBXFKD-PKOBYXMFSA-N 1 2 355.369 2.766 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC000583503371 519284608 /nfs/dbraw/zinc/28/46/08/519284608.db2.gz ZFDYRFHTBBXFKD-PKOBYXMFSA-N 1 2 355.369 2.766 20 30 FFEDLO Cc1ccc([C@@H](CNC(=O)[C@@]2(C#N)CC23CCCC3)[NH+]2CCOCC2)cc1 ZINC000590622981 519293837 /nfs/dbraw/zinc/29/38/37/519293837.db2.gz GYNYGTRSIICYAV-KNQAVFIVSA-N 1 2 367.493 2.959 20 30 FFEDLO CCC(CC)CN(CCC#N)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000580696897 519307397 /nfs/dbraw/zinc/30/73/97/519307397.db2.gz NDWSTMGOYSOYKM-UHFFFAOYSA-N 1 2 358.486 2.706 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](C2CC2)[C@@H]2CCc3ccccc32)nc1 ZINC000569030338 519340574 /nfs/dbraw/zinc/34/05/74/519340574.db2.gz GWZWRZRHWMDKSZ-LJQANCHMSA-N 1 2 367.474 2.879 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)nc1 ZINC000569030338 519340581 /nfs/dbraw/zinc/34/05/81/519340581.db2.gz GWZWRZRHWMDKSZ-LJQANCHMSA-N 1 2 367.474 2.879 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C3CC3)C3CCC3)CC2)cc1 ZINC000590841374 519396388 /nfs/dbraw/zinc/39/63/88/519396388.db2.gz RRUNTDAWTYGZRQ-HXUWFJFHSA-N 1 2 352.482 2.964 20 30 FFEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000569150539 519401481 /nfs/dbraw/zinc/40/14/81/519401481.db2.gz TXSAECZCNKKUIW-IBGZPJMESA-N 1 2 368.481 2.782 20 30 FFEDLO C=CCN=c1[nH]cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000569151961 519403565 /nfs/dbraw/zinc/40/35/65/519403565.db2.gz VBBKHIYQDHLNEV-UHFFFAOYSA-N 1 2 359.499 2.692 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1)c1ccccc1 ZINC000575129662 519516520 /nfs/dbraw/zinc/51/65/20/519516520.db2.gz XAFNHEWWDNSCPZ-ZWKOTPCHSA-N 1 2 353.466 2.517 20 30 FFEDLO C[C@@H]1C[NH+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)C[C@@H](C)N1CC#N ZINC000602864941 519935492 /nfs/dbraw/zinc/93/54/92/519935492.db2.gz RDSHPXHIQLTDDT-IIDMSEBBSA-N 1 2 362.543 2.870 20 30 FFEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602863088 519935675 /nfs/dbraw/zinc/93/56/75/519935675.db2.gz OLYKOUJBQJKQJG-IHRRRGAJSA-N 1 2 364.877 2.594 20 30 FFEDLO C[C@H](CC#N)[NH2+]CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000602865210 519936535 /nfs/dbraw/zinc/93/65/35/519936535.db2.gz URZOHUAGEMVBGA-CQSZACIVSA-N 1 2 371.462 2.944 20 30 FFEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+][C@H](C)CC#N)c1C#N ZINC000602869528 519938672 /nfs/dbraw/zinc/93/86/72/519938672.db2.gz OKBYYFFBMPBINV-CYBMUJFWSA-N 1 2 367.428 2.994 20 30 FFEDLO CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCN(CC(F)(F)F)C1 ZINC000602890971 519952539 /nfs/dbraw/zinc/95/25/39/519952539.db2.gz FIIXOPRFJHGSHI-ZDUSSCGKSA-N 1 2 356.348 2.925 20 30 FFEDLO CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCN(CC(F)(F)F)C1 ZINC000602890971 519952550 /nfs/dbraw/zinc/95/25/50/519952550.db2.gz FIIXOPRFJHGSHI-ZDUSSCGKSA-N 1 2 356.348 2.925 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000602892544 519955223 /nfs/dbraw/zinc/95/52/23/519955223.db2.gz KKZCCHODKAHTNG-NSHDSACASA-N 1 2 367.375 2.774 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000602892544 519955228 /nfs/dbraw/zinc/95/52/28/519955228.db2.gz KKZCCHODKAHTNG-NSHDSACASA-N 1 2 367.375 2.774 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907510 519964699 /nfs/dbraw/zinc/96/46/99/519964699.db2.gz NEVGMDJXKKLGMU-FQEVSTJZSA-N 1 2 360.417 2.919 20 30 FFEDLO CN(C)c1c(F)c(F)ccc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000600110644 520053370 /nfs/dbraw/zinc/05/33/70/520053370.db2.gz AGUSWYCSKOHBTH-UHFFFAOYSA-N 1 2 357.408 2.620 20 30 FFEDLO N#CC[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000594659932 520072013 /nfs/dbraw/zinc/07/20/13/520072013.db2.gz KBMZVTYRLNHNGZ-WFASDCNBSA-N 1 2 365.355 2.963 20 30 FFEDLO N#CC[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000594659932 520072022 /nfs/dbraw/zinc/07/20/22/520072022.db2.gz KBMZVTYRLNHNGZ-WFASDCNBSA-N 1 2 365.355 2.963 20 30 FFEDLO COc1ccc2ncc(C#N)c(N3CC[NH+](Cc4cc(C)no4)CC3)c2c1 ZINC000591893418 520073509 /nfs/dbraw/zinc/07/35/09/520073509.db2.gz AZGQVZXTGPNNNV-UHFFFAOYSA-N 1 2 363.421 2.734 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccnc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000603127635 520094968 /nfs/dbraw/zinc/09/49/68/520094968.db2.gz USJDMJZSCDPCED-DLBZAZTESA-N 1 2 357.364 2.798 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)Nc2ccnc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000603127635 520094978 /nfs/dbraw/zinc/09/49/78/520094978.db2.gz USJDMJZSCDPCED-DLBZAZTESA-N 1 2 357.364 2.798 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000594745031 520128364 /nfs/dbraw/zinc/12/83/64/520128364.db2.gz RTTRUFOUWNIFMJ-UHFFFAOYSA-N 1 2 360.464 2.647 20 30 FFEDLO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592073910 520167863 /nfs/dbraw/zinc/16/78/63/520167863.db2.gz SHFYAXNHSFKCFV-UHFFFAOYSA-N 1 2 350.422 2.813 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000592152390 520230152 /nfs/dbraw/zinc/23/01/52/520230152.db2.gz WYTORZNCMQFXQN-INIZCTEOSA-N 1 2 362.227 2.955 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000592152390 520230162 /nfs/dbraw/zinc/23/01/62/520230162.db2.gz WYTORZNCMQFXQN-INIZCTEOSA-N 1 2 362.227 2.955 20 30 FFEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000600422370 520252838 /nfs/dbraw/zinc/25/28/38/520252838.db2.gz VGNFRPGZFRJKEY-MRXNPFEDSA-N 1 2 367.474 2.770 20 30 FFEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000600422370 520252844 /nfs/dbraw/zinc/25/28/44/520252844.db2.gz VGNFRPGZFRJKEY-MRXNPFEDSA-N 1 2 367.474 2.770 20 30 FFEDLO N#C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(OC(F)(F)F)cc1 ZINC000609417234 520307343 /nfs/dbraw/zinc/30/73/43/520307343.db2.gz OWPCJNPBHLCLLC-CQSZACIVSA-N 1 2 352.316 2.943 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000609485671 520328883 /nfs/dbraw/zinc/32/88/83/520328883.db2.gz UYYSZROODJLEJE-GPABEBMESA-N 1 2 372.557 2.626 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000603642668 520336488 /nfs/dbraw/zinc/33/64/88/520336488.db2.gz HIUBFWJIKYSOLT-QGZVFWFLSA-N 1 2 371.868 2.774 20 30 FFEDLO C[C@@]1(C#N)CCN(C(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000595208368 520351360 /nfs/dbraw/zinc/35/13/60/520351360.db2.gz RZIRELOUOJKKLZ-IBGZPJMESA-N 1 2 350.378 2.575 20 30 FFEDLO Cc1cc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)nc(C2CC2)[nH+]1 ZINC000609703893 520409202 /nfs/dbraw/zinc/40/92/02/520409202.db2.gz LHOUKOCKHCTNLL-UHFFFAOYSA-N 1 2 350.426 2.726 20 30 FFEDLO CCc1nnc([C@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[nH]1 ZINC000595368449 520432518 /nfs/dbraw/zinc/43/25/18/520432518.db2.gz WGPAEAHOQTUJGH-ZDUSSCGKSA-N 1 2 352.442 2.650 20 30 FFEDLO CSc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1Br ZINC000600747613 520444253 /nfs/dbraw/zinc/44/42/53/520444253.db2.gz QBWZZHVFEGGMIZ-LBPRGKRZSA-N 1 2 358.305 2.789 20 30 FFEDLO CSc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1Br ZINC000600747613 520444260 /nfs/dbraw/zinc/44/42/60/520444260.db2.gz QBWZZHVFEGGMIZ-LBPRGKRZSA-N 1 2 358.305 2.789 20 30 FFEDLO C[C@H]1CN(c2ccc(CNc3c(C#N)nnc4ccccc43)c[nH+]2)CCO1 ZINC000610116441 520547090 /nfs/dbraw/zinc/54/70/90/520547090.db2.gz UXQQZVRJPCHXSZ-AWEZNQCLSA-N 1 2 360.421 2.734 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccccc3CC#N)c[nH+]2)C[C@@H](C)O1 ZINC000600998518 520584052 /nfs/dbraw/zinc/58/40/52/520584052.db2.gz NSVQNOFWTMOHAQ-HZPDHXFCSA-N 1 2 364.449 2.691 20 30 FFEDLO Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632799 520609115 /nfs/dbraw/zinc/60/91/15/520609115.db2.gz QRLJKEIXXVEFGK-MRXNPFEDSA-N 1 2 368.506 2.755 20 30 FFEDLO CC(C)(C#N)c1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)cc1 ZINC000595637917 520614466 /nfs/dbraw/zinc/61/44/66/520614466.db2.gz MYADRQPPGCAMRO-GJZGRUSLSA-N 1 2 374.428 2.895 20 30 FFEDLO CC(C)(C#N)c1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)cc1 ZINC000595637917 520614477 /nfs/dbraw/zinc/61/44/77/520614477.db2.gz MYADRQPPGCAMRO-GJZGRUSLSA-N 1 2 374.428 2.895 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000610371938 520654175 /nfs/dbraw/zinc/65/41/75/520654175.db2.gz HVBRGZLOIYNQQM-CTNGQTDRSA-N 1 2 352.434 2.566 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000610371938 520654182 /nfs/dbraw/zinc/65/41/82/520654182.db2.gz HVBRGZLOIYNQQM-CTNGQTDRSA-N 1 2 352.434 2.566 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000610371941 520655018 /nfs/dbraw/zinc/65/50/18/520655018.db2.gz HVBRGZLOIYNQQM-TZIWHRDSSA-N 1 2 352.434 2.566 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000610371941 520655023 /nfs/dbraw/zinc/65/50/23/520655023.db2.gz HVBRGZLOIYNQQM-TZIWHRDSSA-N 1 2 352.434 2.566 20 30 FFEDLO N#CC1(NC(=O)C[N@@H+]2CCc3nc(-c4ccccc4)sc3C2)CCC1 ZINC000595711471 520666860 /nfs/dbraw/zinc/66/68/60/520666860.db2.gz GZKBAOMVRGKAMR-UHFFFAOYSA-N 1 2 352.463 2.731 20 30 FFEDLO N#CC1(NC(=O)C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)CCC1 ZINC000595711471 520666861 /nfs/dbraw/zinc/66/68/61/520666861.db2.gz GZKBAOMVRGKAMR-UHFFFAOYSA-N 1 2 352.463 2.731 20 30 FFEDLO COC(=O)[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1cccc(C#N)c1 ZINC000595767299 520709748 /nfs/dbraw/zinc/70/97/48/520709748.db2.gz BHFRVDUYDQVHJR-NZSAHSFTSA-N 1 2 352.438 2.507 20 30 FFEDLO N#Cc1cccc(C2([NH2+]Cc3nc(-c4ccccn4)no3)CCOCC2)c1 ZINC000595775361 520716476 /nfs/dbraw/zinc/71/64/76/520716476.db2.gz VIYYMKOXXKPDGX-UHFFFAOYSA-N 1 2 361.405 2.799 20 30 FFEDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2C[C@@H](O)CC(C)(C)C#N)n1 ZINC000598608089 520741004 /nfs/dbraw/zinc/74/10/04/520741004.db2.gz FEEPUCAYENTRET-JSGCOSHPSA-N 1 2 351.472 2.757 20 30 FFEDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)n1 ZINC000598608089 520741008 /nfs/dbraw/zinc/74/10/08/520741008.db2.gz FEEPUCAYENTRET-JSGCOSHPSA-N 1 2 351.472 2.757 20 30 FFEDLO C[C@@]1(C#N)CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C1 ZINC000595836541 520757953 /nfs/dbraw/zinc/75/79/53/520757953.db2.gz ZMBCNBZNVVOBSD-UWJYYQICSA-N 1 2 369.465 2.747 20 30 FFEDLO C[C@@]1(C#N)CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C1 ZINC000595836541 520757963 /nfs/dbraw/zinc/75/79/63/520757963.db2.gz ZMBCNBZNVVOBSD-UWJYYQICSA-N 1 2 369.465 2.747 20 30 FFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000614079498 520789628 /nfs/dbraw/zinc/78/96/28/520789628.db2.gz HXXPGNQOGKEFEL-UHFFFAOYSA-N 1 2 359.798 2.593 20 30 FFEDLO C[C@H]1C[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)c2[nH+]ccn21 ZINC000593169200 520794445 /nfs/dbraw/zinc/79/44/45/520794445.db2.gz OCBGKSFCBPYXQJ-IINYFYTJSA-N 1 2 359.227 2.882 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000610853455 520873912 /nfs/dbraw/zinc/87/39/12/520873912.db2.gz YLGQMQNYPIWSJN-MRXNPFEDSA-N 1 2 358.388 2.829 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000610853455 520873919 /nfs/dbraw/zinc/87/39/19/520873919.db2.gz YLGQMQNYPIWSJN-MRXNPFEDSA-N 1 2 358.388 2.829 20 30 FFEDLO Cc1cccc2[nH+]c(CNS(=O)(=O)c3ccc(C(C)(C)C#N)cc3)cn21 ZINC000593282010 520879360 /nfs/dbraw/zinc/87/93/60/520879360.db2.gz WHCQFYZXOMPZBY-UHFFFAOYSA-N 1 2 368.462 2.922 20 30 FFEDLO N#Cc1cc2cccnc2nc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000596071513 520893381 /nfs/dbraw/zinc/89/33/81/520893381.db2.gz PIRRLXNONWIWJI-IBGZPJMESA-N 1 2 359.433 2.987 20 30 FFEDLO CCc1nc(C#N)cc(N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)n1 ZINC000596245356 520991745 /nfs/dbraw/zinc/99/17/45/520991745.db2.gz XZKOLHDIYVCXDH-MRXNPFEDSA-N 1 2 364.453 2.564 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC2)cc1 ZINC000593454036 521002432 /nfs/dbraw/zinc/00/24/32/521002432.db2.gz UREUTDSENVRKGD-UHFFFAOYSA-N 1 2 364.449 2.704 20 30 FFEDLO C[C@@H](NC(=O)C[NH+]1CCN(CCC#N)CC1)c1cccc2ccccc21 ZINC000611174787 521023326 /nfs/dbraw/zinc/02/33/26/521023326.db2.gz MWIKGWUKDSOBIL-QGZVFWFLSA-N 1 2 350.466 2.548 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000593568037 521081605 /nfs/dbraw/zinc/08/16/05/521081605.db2.gz SXPUXYRYGAVHJE-IBGZPJMESA-N 1 2 369.490 2.953 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000593568037 521081609 /nfs/dbraw/zinc/08/16/09/521081609.db2.gz SXPUXYRYGAVHJE-IBGZPJMESA-N 1 2 369.490 2.953 20 30 FFEDLO CCC[N@H+](CC(=O)NCC(=O)c1cccs1)Cc1ccc(C#N)cc1 ZINC000599203792 521084828 /nfs/dbraw/zinc/08/48/28/521084828.db2.gz KJJIMXMQQJGNBG-UHFFFAOYSA-N 1 2 355.463 2.831 20 30 FFEDLO CCC[N@@H+](CC(=O)NCC(=O)c1cccs1)Cc1ccc(C#N)cc1 ZINC000599203792 521084839 /nfs/dbraw/zinc/08/48/39/521084839.db2.gz KJJIMXMQQJGNBG-UHFFFAOYSA-N 1 2 355.463 2.831 20 30 FFEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)CC2 ZINC000599234609 521101138 /nfs/dbraw/zinc/10/11/38/521101138.db2.gz WZKLICNKIZVEJP-UKRRQHHQSA-N 1 2 373.254 2.898 20 30 FFEDLO COc1ccc([C@@H](CNc2nc(C#N)ccc2C)[NH+]2CCOCC2)cc1 ZINC000611399013 521135910 /nfs/dbraw/zinc/13/59/10/521135910.db2.gz HKESPYFXPHACQJ-LJQANCHMSA-N 1 2 352.438 2.756 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)c(C#N)c1C ZINC000596597598 521157399 /nfs/dbraw/zinc/15/73/99/521157399.db2.gz CTOIPQHDXHPXNS-CYBMUJFWSA-N 1 2 369.469 2.913 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2Cc3cnn(C)c3CC(C)(C)C2)c(C#N)c1C ZINC000596597598 521157405 /nfs/dbraw/zinc/15/74/05/521157405.db2.gz CTOIPQHDXHPXNS-CYBMUJFWSA-N 1 2 369.469 2.913 20 30 FFEDLO CC1(C)Cc2n[nH]cc2C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000596598884 521157951 /nfs/dbraw/zinc/15/79/51/521157951.db2.gz NGHIIBSAZCMXRB-UHFFFAOYSA-N 1 2 357.845 2.958 20 30 FFEDLO CC1(C)Cc2n[nH]cc2C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000596598884 521157960 /nfs/dbraw/zinc/15/79/60/521157960.db2.gz NGHIIBSAZCMXRB-UHFFFAOYSA-N 1 2 357.845 2.958 20 30 FFEDLO C=CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000602137068 521165007 /nfs/dbraw/zinc/16/50/07/521165007.db2.gz CTPGTYOSFPUPSU-LMMKCTJWSA-N 1 2 367.449 2.702 20 30 FFEDLO C=CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000602137068 521165012 /nfs/dbraw/zinc/16/50/12/521165012.db2.gz CTPGTYOSFPUPSU-LMMKCTJWSA-N 1 2 367.449 2.702 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCc2cc(F)c(C#N)c(F)c2)cc1 ZINC000602149954 521174177 /nfs/dbraw/zinc/17/41/77/521174177.db2.gz ZPLRPVUCXHIXRY-LJQANCHMSA-N 1 2 371.387 2.736 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCc2cc(F)c(C#N)c(F)c2)cc1 ZINC000602149954 521174183 /nfs/dbraw/zinc/17/41/83/521174183.db2.gz ZPLRPVUCXHIXRY-LJQANCHMSA-N 1 2 371.387 2.736 20 30 FFEDLO COc1cc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)ccc1C#N ZINC000602150611 521175094 /nfs/dbraw/zinc/17/50/94/521175094.db2.gz DHGWJZRJCDZFPH-AWEZNQCLSA-N 1 2 352.316 2.573 20 30 FFEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC(Nc3ccccc3C#N)CC1)CC2 ZINC000602184120 521196948 /nfs/dbraw/zinc/19/69/48/521196948.db2.gz SYZWODWQAWJWET-INIZCTEOSA-N 1 2 363.465 2.729 20 30 FFEDLO N#Cc1cccc(NC2CN(C(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)C2)c1 ZINC000602191656 521199385 /nfs/dbraw/zinc/19/93/85/521199385.db2.gz ZIAUZCVULOWABA-OAHLLOKOSA-N 1 2 363.343 2.571 20 30 FFEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000611551551 521215044 /nfs/dbraw/zinc/21/50/44/521215044.db2.gz RDVDYFIBUCMSJN-MBOZVWFJSA-N 1 2 372.488 2.512 20 30 FFEDLO COC(=O)c1oc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1C ZINC000611552120 521216057 /nfs/dbraw/zinc/21/60/57/521216057.db2.gz PFSZORJBTNKUCS-GOSISDBHSA-N 1 2 371.412 2.896 20 30 FFEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000596775362 521275282 /nfs/dbraw/zinc/27/52/82/521275282.db2.gz UEUNKDRZJPHABT-NEPJUHHUSA-N 1 2 370.375 2.808 20 30 FFEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000596775362 521275290 /nfs/dbraw/zinc/27/52/90/521275290.db2.gz UEUNKDRZJPHABT-NEPJUHHUSA-N 1 2 370.375 2.808 20 30 FFEDLO COc1ccc(-c2noc(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)n2)nn1 ZINC000594035031 521363559 /nfs/dbraw/zinc/36/35/59/521363559.db2.gz JQZCPBIJOHJXPV-UHFFFAOYSA-N 1 2 362.393 2.576 20 30 FFEDLO CC(C)(C)Oc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1C#N ZINC000596927151 521386349 /nfs/dbraw/zinc/38/63/49/521386349.db2.gz DMOAKKAUBJOMGT-QGZVFWFLSA-N 1 2 372.469 2.674 20 30 FFEDLO Cc1ccc(CNC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)cc1F ZINC000599674981 521389942 /nfs/dbraw/zinc/38/99/42/521389942.db2.gz FMBCDNCIOUXOPI-UHFFFAOYSA-N 1 2 351.425 2.875 20 30 FFEDLO Cc1ccc(CNC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)cc1F ZINC000599674981 521389949 /nfs/dbraw/zinc/38/99/49/521389949.db2.gz FMBCDNCIOUXOPI-UHFFFAOYSA-N 1 2 351.425 2.875 20 30 FFEDLO COc1cccc([C@H](NC(=O)c2ccc(C#N)c(O)c2)c2[nH+]ccn2C)c1 ZINC000615442821 521405540 /nfs/dbraw/zinc/40/55/40/521405540.db2.gz RCHULSRFSASAHA-SFHVURJKSA-N 1 2 362.389 2.525 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc4cc[nH]c4cn3)CC2)cc1 ZINC000594144631 521432337 /nfs/dbraw/zinc/43/23/37/521432337.db2.gz SGDPXXQMDIPHRD-UHFFFAOYSA-N 1 2 360.421 2.784 20 30 FFEDLO Cc1cc(NCCNC(=O)Nc2cccc(C#N)c2C)nc(C(C)C)[nH+]1 ZINC000599754976 521449129 /nfs/dbraw/zinc/44/91/29/521449129.db2.gz CNROFBNUWBNLTB-UHFFFAOYSA-N 1 2 352.442 2.744 20 30 FFEDLO N#CCCCOc1cccnc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000615560284 521449408 /nfs/dbraw/zinc/44/94/08/521449408.db2.gz MKDFPFXMSWOMEV-OAHLLOKOSA-N 1 2 354.414 2.830 20 30 FFEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000599785077 521472230 /nfs/dbraw/zinc/47/22/30/521472230.db2.gz XFKAUXQRUQFGIB-KRWDZBQOSA-N 1 2 366.421 2.803 20 30 FFEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000599785077 521472238 /nfs/dbraw/zinc/47/22/38/521472238.db2.gz XFKAUXQRUQFGIB-KRWDZBQOSA-N 1 2 366.421 2.803 20 30 FFEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N3CC[C@](F)(C#N)C3)c2C1 ZINC000615664944 521494162 /nfs/dbraw/zinc/49/41/62/521494162.db2.gz UCXGCZPMMORZEO-FQEVSTJZSA-N 1 2 352.413 2.691 20 30 FFEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N3CC[C@](F)(C#N)C3)c2C1 ZINC000615664944 521494168 /nfs/dbraw/zinc/49/41/68/521494168.db2.gz UCXGCZPMMORZEO-FQEVSTJZSA-N 1 2 352.413 2.691 20 30 FFEDLO CCOC(=O)c1ncc(C[N@H+](CCOC)Cc2ccc(C#N)cc2)s1 ZINC000602764098 521519371 /nfs/dbraw/zinc/51/93/71/521519371.db2.gz BIYNQYUAQNZYKU-UHFFFAOYSA-N 1 2 359.451 2.840 20 30 FFEDLO CCOC(=O)c1ncc(C[N@@H+](CCOC)Cc2ccc(C#N)cc2)s1 ZINC000602764098 521519378 /nfs/dbraw/zinc/51/93/78/521519378.db2.gz BIYNQYUAQNZYKU-UHFFFAOYSA-N 1 2 359.451 2.840 20 30 FFEDLO Cn1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000597229188 521586215 /nfs/dbraw/zinc/58/62/15/521586215.db2.gz JPQNJDLBXNPLDK-FQEVSTJZSA-N 1 2 352.438 2.984 20 30 FFEDLO Cn1cc(C[N@H+]2CC[C@@](C)(C#N)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000597229188 521586219 /nfs/dbraw/zinc/58/62/19/521586219.db2.gz JPQNJDLBXNPLDK-FQEVSTJZSA-N 1 2 352.438 2.984 20 30 FFEDLO N#Cc1ccc(NCC(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)cc1 ZINC000619778499 521866745 /nfs/dbraw/zinc/86/67/45/521866745.db2.gz XOSZPTAKPKHNRM-SFHVURJKSA-N 1 2 354.841 2.797 20 30 FFEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784695 521871239 /nfs/dbraw/zinc/87/12/39/521871239.db2.gz KQHPPLMFJPASNR-HNAYVOBHSA-N 1 2 374.916 2.970 20 30 FFEDLO C=CCCC(C)(C)CNC(=O)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000632487927 522121267 /nfs/dbraw/zinc/12/12/67/522121267.db2.gz ZGQPVBUQLVPOTB-UHFFFAOYSA-N 1 2 374.407 2.512 20 30 FFEDLO C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)C1 ZINC000627733940 523056794 /nfs/dbraw/zinc/05/67/94/523056794.db2.gz IAVJMJJCPHOHIF-ZDUSSCGKSA-N 1 2 352.438 2.814 20 30 FFEDLO CCc1nc([C@H](C)[NH2+]CC#CCN2C(=O)c3ccccc3C2=O)cs1 ZINC000625323391 523350149 /nfs/dbraw/zinc/35/01/49/523350149.db2.gz WHQDVXWTKZEWGH-ZDUSSCGKSA-N 1 2 353.447 2.656 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800014 523697934 /nfs/dbraw/zinc/69/79/34/523697934.db2.gz SGJARHXMAMDGTF-NRFANRHFSA-N 1 2 354.450 2.687 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800014 523697944 /nfs/dbraw/zinc/69/79/44/523697944.db2.gz SGJARHXMAMDGTF-NRFANRHFSA-N 1 2 354.450 2.687 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C2(Oc3ccc(Cl)cc3)CC2)c1C#N ZINC000516439482 562042943 /nfs/dbraw/zinc/04/29/43/562042943.db2.gz PJVODUWUCZHZCV-UHFFFAOYSA-N 1 2 373.844 2.637 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2sc3nccc(C)c3c2C)c1C#N ZINC000535504284 562560118 /nfs/dbraw/zinc/56/01/18/562560118.db2.gz RWLGJYKKACQHAM-UHFFFAOYSA-N 1 2 368.466 2.912 20 30 FFEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(C#N)cc(Cl)n2)CC1 ZINC001164917630 721811852 /nfs/dbraw/zinc/81/18/52/721811852.db2.gz OEAAUSIFJRWHFB-UHFFFAOYSA-N 1 2 356.861 2.553 20 30 FFEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)C[C@H]2CCCOC2)c1=S ZINC000159023343 728899134 /nfs/dbraw/zinc/89/91/34/728899134.db2.gz AYWNKGPUAQOOPP-OAHLLOKOSA-N 1 2 359.499 2.978 20 30 FFEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)C[C@H]2CCCOC2)c1=S ZINC000159023343 728899138 /nfs/dbraw/zinc/89/91/38/728899138.db2.gz AYWNKGPUAQOOPP-OAHLLOKOSA-N 1 2 359.499 2.978 20 30 FFEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCC(=O)N1CCc2ccccc2C1 ZINC000106067460 728509671 /nfs/dbraw/zinc/50/96/71/728509671.db2.gz YVEVPJIUTIVIMF-UHFFFAOYSA-N 1 2 357.841 2.756 20 30 FFEDLO COc1cc(C(=O)/C=C\c2c[nH+]c3ccccn23)ccc1S(C)(=O)=O ZINC000255904441 729648907 /nfs/dbraw/zinc/64/89/07/729648907.db2.gz VINNISYFBHDBBB-FPLPWBNLSA-N 1 2 356.403 2.643 20 30 FFEDLO Cc1c(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)sc2nccn12 ZINC000328785028 729795093 /nfs/dbraw/zinc/79/50/93/729795093.db2.gz INSLIMWTHZVZLB-AWEZNQCLSA-N 1 2 350.488 2.756 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000857237149 730386720 /nfs/dbraw/zinc/38/67/20/730386720.db2.gz OYSRDFXSMQRVTG-STQMWFEESA-N 1 2 361.433 2.521 20 30 FFEDLO CC1=C(Br)C[N@H+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000859289991 730448707 /nfs/dbraw/zinc/44/87/07/730448707.db2.gz IUWWCASQDRGIKD-CQSZACIVSA-N 1 2 351.244 2.673 20 30 FFEDLO CC1=C(Br)C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000859289991 730448708 /nfs/dbraw/zinc/44/87/08/730448708.db2.gz IUWWCASQDRGIKD-CQSZACIVSA-N 1 2 351.244 2.673 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645937338 730620587 /nfs/dbraw/zinc/62/05/87/730620587.db2.gz TTWPOEQAYADFER-GJZGRUSLSA-N 1 2 369.481 2.676 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645937338 730620590 /nfs/dbraw/zinc/62/05/90/730620590.db2.gz TTWPOEQAYADFER-GJZGRUSLSA-N 1 2 369.481 2.676 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645937337 730620697 /nfs/dbraw/zinc/62/06/97/730620697.db2.gz TTWPOEQAYADFER-CABCVRRESA-N 1 2 369.481 2.676 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645937337 730620699 /nfs/dbraw/zinc/62/06/99/730620699.db2.gz TTWPOEQAYADFER-CABCVRRESA-N 1 2 369.481 2.676 20 30 FFEDLO C=C(Cl)C[C@@H]1NC(=O)N(c2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1=O ZINC000864555886 730860056 /nfs/dbraw/zinc/86/00/56/730860056.db2.gz ZZLMUVGRRBSZNN-CJNGLKHVSA-N 1 2 363.845 2.647 20 30 FFEDLO C[C@@H]([NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)c1cccc(C#N)c1O ZINC000866517889 731069483 /nfs/dbraw/zinc/06/94/83/731069483.db2.gz QLAKYOPSYHQZJT-FRFSOERESA-N 1 2 356.447 2.919 20 30 FFEDLO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(C#N)cnc3Cl)C2=O)cc1 ZINC000877472975 732367057 /nfs/dbraw/zinc/36/70/57/732367057.db2.gz CCWRAFNBKQMHIV-QGZVFWFLSA-N 1 2 354.841 2.806 20 30 FFEDLO CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000879333469 732685417 /nfs/dbraw/zinc/68/54/17/732685417.db2.gz AAMSPODOYZATFY-OAHLLOKOSA-N 1 2 350.850 2.526 20 30 FFEDLO CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000879333469 732685419 /nfs/dbraw/zinc/68/54/19/732685419.db2.gz AAMSPODOYZATFY-OAHLLOKOSA-N 1 2 350.850 2.526 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(Cc1ccccc1Cl)CC1CC1 ZINC000884428163 733524128 /nfs/dbraw/zinc/52/41/28/733524128.db2.gz UUTULGUWOAHGMB-INIZCTEOSA-N 1 2 350.846 2.525 20 30 FFEDLO C=C(CNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000672423670 733525264 /nfs/dbraw/zinc/52/52/64/733525264.db2.gz MXWUKWGYBINORQ-UHFFFAOYSA-N 1 2 353.447 2.923 20 30 FFEDLO C/C(=C\C(=O)Nc1ccc(Br)c(C#N)c1)C[NH+]1CCOCC1 ZINC000887994512 734002316 /nfs/dbraw/zinc/00/23/16/734002316.db2.gz ALLVMGVHJHVECR-XYOKQWHBSA-N 1 2 364.243 2.538 20 30 FFEDLO C=C[C@](C)(O)CC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000685580974 734323274 /nfs/dbraw/zinc/32/32/74/734323274.db2.gz HRCKXBUZCGYNJD-IBGZPJMESA-N 1 2 357.479 2.967 20 30 FFEDLO C=C[C@](C)(O)CC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000685580974 734323278 /nfs/dbraw/zinc/32/32/78/734323278.db2.gz HRCKXBUZCGYNJD-IBGZPJMESA-N 1 2 357.479 2.967 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cnc(CC(F)(F)F)s3)CC2)c1 ZINC000891558309 734445852 /nfs/dbraw/zinc/44/58/52/734445852.db2.gz FPFGXKGHLKDLKL-UHFFFAOYSA-N 1 2 367.400 2.837 20 30 FFEDLO C#CCNC(=O)C1CC[NH+](Cn2c(=S)snc2-c2ccccc2)CC1 ZINC000727822025 734501433 /nfs/dbraw/zinc/50/14/33/734501433.db2.gz CVEYTULRRQNFCB-UHFFFAOYSA-N 1 2 372.519 2.760 20 30 FFEDLO C#CCC1(O)CC[NH+](Cc2cccc(F)c2I)CC1 ZINC000895669808 735038657 /nfs/dbraw/zinc/03/86/57/735038657.db2.gz HFQPWPABLUFXML-UHFFFAOYSA-N 1 2 373.209 2.781 20 30 FFEDLO N#Cc1cc2ccccc2nc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000747329782 735556834 /nfs/dbraw/zinc/55/68/34/735556834.db2.gz XDHBUMRYLKPTPY-IBGZPJMESA-N 1 2 354.479 2.726 20 30 FFEDLO C#CCSCCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000749834296 735753396 /nfs/dbraw/zinc/75/33/96/735753396.db2.gz CHYPMHXCEIZUDH-GOSISDBHSA-N 1 2 356.495 2.907 20 30 FFEDLO CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C\c2c[nH+]cn2CC)cc1 ZINC000901429722 735777838 /nfs/dbraw/zinc/77/78/38/735777838.db2.gz YFYJIKVAUMYAKQ-XFXZXTDPSA-N 1 2 361.467 2.830 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000751829090 735924097 /nfs/dbraw/zinc/92/40/97/735924097.db2.gz PVXRNZMEFWBLRZ-UHFFFAOYSA-N 1 2 367.858 2.508 20 30 FFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CC(C)(C)C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000790044065 739411507 /nfs/dbraw/zinc/41/15/07/739411507.db2.gz JFOHUNCAXWSFNF-GJZGRUSLSA-N 1 2 355.891 2.554 20 30 FFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CC(C)(C)C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000790044065 739411509 /nfs/dbraw/zinc/41/15/09/739411509.db2.gz JFOHUNCAXWSFNF-GJZGRUSLSA-N 1 2 355.891 2.554 20 30 FFEDLO COCCN(C)c1ccc(C=[NH+]Nc2cncc(Br)c2)cn1 ZINC000790170373 739424347 /nfs/dbraw/zinc/42/43/47/739424347.db2.gz LKJVVKHGUBLJQW-UHFFFAOYSA-N 1 2 364.247 2.768 20 30 FFEDLO Cn1c[nH+]cc1CN=Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000755456312 736255191 /nfs/dbraw/zinc/25/51/91/736255191.db2.gz UYLUZKFGLALQAG-UHFFFAOYSA-N 1 2 358.236 2.701 20 30 FFEDLO C#CCNC(=S)N(CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000758187838 736460406 /nfs/dbraw/zinc/46/04/06/736460406.db2.gz GSKAOMJJWHRRFS-UHFFFAOYSA-N 1 2 356.495 2.682 20 30 FFEDLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000758309008 736474517 /nfs/dbraw/zinc/47/45/17/736474517.db2.gz CSTQLUHDIHOTAT-UHFFFAOYSA-N 1 2 364.854 2.936 20 30 FFEDLO N#Cc1csc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)n1 ZINC000929320662 738969175 /nfs/dbraw/zinc/96/91/75/738969175.db2.gz CPKZPJNVWRDYLJ-UHFFFAOYSA-N 1 2 362.484 2.779 20 30 FFEDLO C#C[C@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)[C@H]1CCCO1 ZINC000775352629 738086543 /nfs/dbraw/zinc/08/65/43/738086543.db2.gz YCZWRXMDCABGLS-JKSUJKDBSA-N 1 2 351.237 2.845 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1csc(-c2cccc(C(=O)OC)c2)n1)[C@@H]1CCCO1 ZINC000775789909 738124837 /nfs/dbraw/zinc/12/48/37/738124837.db2.gz DUMSSKRKBCUINC-SJORKVTESA-N 1 2 356.447 2.867 20 30 FFEDLO Cc1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c(C)cc1I ZINC000930818777 739168049 /nfs/dbraw/zinc/16/80/49/739168049.db2.gz NTNVFBMFZSENRB-HNNXBMFYSA-N 1 2 370.234 2.759 20 30 FFEDLO Cc1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)c(C)cc1I ZINC000930818777 739168052 /nfs/dbraw/zinc/16/80/52/739168052.db2.gz NTNVFBMFZSENRB-HNNXBMFYSA-N 1 2 370.234 2.759 20 30 FFEDLO C[NH+](C)Cc1csc(CNC(=O)Nc2nc(Cl)c(C#N)s2)n1 ZINC000931725158 739318329 /nfs/dbraw/zinc/31/83/29/739318329.db2.gz SVTREENFRHQZHO-UHFFFAOYSA-N 1 2 356.864 2.508 20 30 FFEDLO Cn1ccc([C@H]2CCC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)n1 ZINC000932136083 739393637 /nfs/dbraw/zinc/39/36/37/739393637.db2.gz HSYUVDDPGBQGSN-AWEZNQCLSA-N 1 2 357.845 2.763 20 30 FFEDLO Cn1ccc([C@H]2CCC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)n1 ZINC000932136083 739393641 /nfs/dbraw/zinc/39/36/41/739393641.db2.gz HSYUVDDPGBQGSN-AWEZNQCLSA-N 1 2 357.845 2.763 20 30 FFEDLO N#C[C@H]1CCC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000932148121 739395650 /nfs/dbraw/zinc/39/56/50/739395650.db2.gz KNCUAJBSLJCGKB-RISCZKNCSA-N 1 2 357.223 2.563 20 30 FFEDLO N#C[C@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000932148121 739395655 /nfs/dbraw/zinc/39/56/55/739395655.db2.gz KNCUAJBSLJCGKB-RISCZKNCSA-N 1 2 357.223 2.563 20 30 FFEDLO C[C@@H]1CSCCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000934300716 739763247 /nfs/dbraw/zinc/76/32/47/739763247.db2.gz FEKQXIRJTRNITQ-CQSZACIVSA-N 1 2 355.467 2.510 20 30 FFEDLO C[C@@H]1CSCCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000934300716 739763249 /nfs/dbraw/zinc/76/32/49/739763249.db2.gz FEKQXIRJTRNITQ-CQSZACIVSA-N 1 2 355.467 2.510 20 30 FFEDLO C#C[C@H]([NH2+]Cc1ccc(C(=O)OC)cc1Br)[C@H]1CCCO1 ZINC000793591955 739797177 /nfs/dbraw/zinc/79/71/77/739797177.db2.gz STFSOZILUSQWIV-LSDHHAIUSA-N 1 2 352.228 2.506 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccncc1Cl ZINC000960885449 740626637 /nfs/dbraw/zinc/62/66/37/740626637.db2.gz VPTDANLTWVOTIT-NUJGCVRESA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccncc1Cl ZINC000960885449 740626639 /nfs/dbraw/zinc/62/66/39/740626639.db2.gz VPTDANLTWVOTIT-NUJGCVRESA-N 1 2 363.889 2.749 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cscn1 ZINC000960913099 740628160 /nfs/dbraw/zinc/62/81/60/740628160.db2.gz QKTZKRKQSGCOLT-SQNIBIBYSA-N 1 2 363.527 2.937 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cscn1 ZINC000960913099 740628161 /nfs/dbraw/zinc/62/81/61/740628161.db2.gz QKTZKRKQSGCOLT-SQNIBIBYSA-N 1 2 363.527 2.937 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2nc(C)c(C)s2)C1 ZINC000970570162 740752566 /nfs/dbraw/zinc/75/25/66/740752566.db2.gz HQOBFYPQKYACNQ-OWQGQXMQSA-N 1 2 363.527 2.678 20 30 FFEDLO CC1=C(C(=O)C=Cc2c[nH+]c3ccc(Cl)cn23)[C@H](C)N2NN=NC2=N1 ZINC000806559601 741069088 /nfs/dbraw/zinc/06/90/88/741069088.db2.gz CGIQISCOEBCYNU-YEZKRMTDSA-N 1 2 355.789 2.790 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000981985322 741183099 /nfs/dbraw/zinc/18/30/99/741183099.db2.gz QFWXJIYOEGQLCF-APWZRJJASA-N 1 2 360.885 2.651 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000981985322 741183102 /nfs/dbraw/zinc/18/31/02/741183102.db2.gz QFWXJIYOEGQLCF-APWZRJJASA-N 1 2 360.885 2.651 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@@H](C)c2csnn2)CC1 ZINC000985436179 741395675 /nfs/dbraw/zinc/39/56/75/741395675.db2.gz XPBVNPNDDNWFNO-LXZKKBNFSA-N 1 2 364.515 2.503 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@H+](C)[C@@H](C)c2csnn2)CC1 ZINC000985436179 741395680 /nfs/dbraw/zinc/39/56/80/741395680.db2.gz XPBVNPNDDNWFNO-LXZKKBNFSA-N 1 2 364.515 2.503 20 30 FFEDLO C#C[C@H](C)N(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000812193390 741594682 /nfs/dbraw/zinc/59/46/82/741594682.db2.gz HSRSAHMRPVKIOH-KCTSRDHCSA-N 1 2 353.388 2.902 20 30 FFEDLO C#C[C@H](C)N(C)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000812193390 741594684 /nfs/dbraw/zinc/59/46/84/741594684.db2.gz HSRSAHMRPVKIOH-KCTSRDHCSA-N 1 2 353.388 2.902 20 30 FFEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000812586015 741635314 /nfs/dbraw/zinc/63/53/14/741635314.db2.gz WARGABDOWKLJHP-UHFFFAOYSA-N 1 2 353.340 2.777 20 30 FFEDLO N#CCCNC(=O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000815306861 741923690 /nfs/dbraw/zinc/92/36/90/741923690.db2.gz OTULRXQZBYKYRJ-OAHLLOKOSA-N 1 2 364.287 2.876 20 30 FFEDLO N#CCCNC(=O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000815306861 741923691 /nfs/dbraw/zinc/92/36/91/741923691.db2.gz OTULRXQZBYKYRJ-OAHLLOKOSA-N 1 2 364.287 2.876 20 30 FFEDLO C=CCn1cc(C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)nn1 ZINC000818347599 742265530 /nfs/dbraw/zinc/26/55/30/742265530.db2.gz SLPWKTALAXLWFN-SECBINFHSA-N 1 2 355.211 2.922 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001014454695 742467271 /nfs/dbraw/zinc/46/72/71/742467271.db2.gz AABLJKHHGWVDLE-IYOUNJFTSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001014454695 742467273 /nfs/dbraw/zinc/46/72/73/742467273.db2.gz AABLJKHHGWVDLE-IYOUNJFTSA-N 1 2 350.409 2.637 20 30 FFEDLO CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C\c2ccc(N)[nH+]c2)cc1 ZINC000821030963 742579244 /nfs/dbraw/zinc/57/92/44/742579244.db2.gz FCVUWOSFIQQLSS-WZUFQYTHSA-N 1 2 359.451 2.590 20 30 FFEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001028153934 742788452 /nfs/dbraw/zinc/78/84/52/742788452.db2.gz ZGTXTQLHVRXJQO-HRCADAONSA-N 1 2 364.287 2.674 20 30 FFEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001028153934 742788455 /nfs/dbraw/zinc/78/84/55/742788455.db2.gz ZGTXTQLHVRXJQO-HRCADAONSA-N 1 2 364.287 2.674 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029401781 742810731 /nfs/dbraw/zinc/81/07/31/742810731.db2.gz DGJJUQNUBVVLOH-NONVJHHQSA-N 1 2 359.495 2.610 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029401781 742810739 /nfs/dbraw/zinc/81/07/39/742810739.db2.gz DGJJUQNUBVVLOH-NONVJHHQSA-N 1 2 359.495 2.610 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2nc(C)sc2C)C1 ZINC001033498446 742895111 /nfs/dbraw/zinc/89/51/11/742895111.db2.gz YCPHMQJPGISPSF-BQFCYCMXSA-N 1 2 363.527 2.774 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001033498446 742895122 /nfs/dbraw/zinc/89/51/22/742895122.db2.gz YCPHMQJPGISPSF-BQFCYCMXSA-N 1 2 363.527 2.774 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCc1c(F)cccc1Cl ZINC001038713919 742978161 /nfs/dbraw/zinc/97/81/61/742978161.db2.gz GSUHYIDDQURUIJ-SIIHOXLZSA-N 1 2 366.864 2.803 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCc1c(F)cccc1Cl ZINC001038713919 742978169 /nfs/dbraw/zinc/97/81/69/742978169.db2.gz GSUHYIDDQURUIJ-SIIHOXLZSA-N 1 2 366.864 2.803 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1C[NH+](CCc2scnc2C)C1 ZINC001044029320 743231337 /nfs/dbraw/zinc/23/13/37/743231337.db2.gz FHJXJFFOBUFFHS-WMZOPIPTSA-N 1 2 363.527 2.508 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2csc(CCC)n2)C1 ZINC001046632301 743333131 /nfs/dbraw/zinc/33/31/31/743333131.db2.gz WRZSSXQOVHNOOV-GJYPPUQNSA-N 1 2 363.527 2.767 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2csc(CCC)n2)C1 ZINC001046632301 743333140 /nfs/dbraw/zinc/33/31/40/743333140.db2.gz WRZSSXQOVHNOOV-GJYPPUQNSA-N 1 2 363.527 2.767 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CC(=C)Cl)CCC1(F)F ZINC001046980264 743347225 /nfs/dbraw/zinc/34/72/25/743347225.db2.gz KAVUAGPLIALJDD-KKUMJFAQSA-N 1 2 362.848 2.794 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CC(=C)Cl)CCC1(F)F ZINC001046980264 743347234 /nfs/dbraw/zinc/34/72/34/743347234.db2.gz KAVUAGPLIALJDD-KKUMJFAQSA-N 1 2 362.848 2.794 20 30 FFEDLO C=CC[C@H]1CCC[N@@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000826948493 743476171 /nfs/dbraw/zinc/47/61/71/743476171.db2.gz ZSGISJXVCFWJPQ-LSDHHAIUSA-N 1 2 371.934 2.993 20 30 FFEDLO C=CC[C@H]1CCC[N@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000826948493 743476174 /nfs/dbraw/zinc/47/61/74/743476174.db2.gz ZSGISJXVCFWJPQ-LSDHHAIUSA-N 1 2 371.934 2.993 20 30 FFEDLO C=CC[C@H]1CCC[N@@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000826948491 743476480 /nfs/dbraw/zinc/47/64/80/743476480.db2.gz ZSGISJXVCFWJPQ-GJZGRUSLSA-N 1 2 371.934 2.993 20 30 FFEDLO C=CC[C@H]1CCC[N@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000826948491 743476484 /nfs/dbraw/zinc/47/64/84/743476484.db2.gz ZSGISJXVCFWJPQ-GJZGRUSLSA-N 1 2 371.934 2.993 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839199888 746799887 /nfs/dbraw/zinc/79/98/87/746799887.db2.gz DQGSZJJZGWTMTF-SFHVURJKSA-N 1 2 364.877 2.633 20 30 FFEDLO N#CC1CC[NH+](CN2CC[C@H](c3cccc(Br)c3)C2=O)CC1 ZINC000839980843 746972772 /nfs/dbraw/zinc/97/27/72/746972772.db2.gz ZCUWOUTWADMTIL-MRXNPFEDSA-N 1 2 362.271 2.958 20 30 FFEDLO C#CC1CC[NH+](Cn2c(=O)oc3cc(Br)c(F)cc32)CC1 ZINC000842636927 747644320 /nfs/dbraw/zinc/64/43/20/747644320.db2.gz OFVRPYRCVLGMKU-UHFFFAOYSA-N 1 2 353.191 2.799 20 30 FFEDLO C=CCCSCCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000849173684 749065514 /nfs/dbraw/zinc/06/55/14/749065514.db2.gz KUCBPCKFXCZNKK-UHFFFAOYSA-N 1 2 356.495 2.955 20 30 FFEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCCOC(F)F)cc1 ZINC000853689131 750136741 /nfs/dbraw/zinc/13/67/41/750136741.db2.gz NFFKAWHNKZHPRD-UHFFFAOYSA-N 1 2 359.373 2.587 20 30 FFEDLO C=CC[C@H]1CCCN(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000665448036 971474931 /nfs/dbraw/zinc/47/49/31/971474931.db2.gz UWRJDOHZFYRWFZ-KRWDZBQOSA-N 1 2 370.497 2.894 20 30 FFEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC000896629959 971638017 /nfs/dbraw/zinc/63/80/17/971638017.db2.gz CONGIOSAPIQOQS-HXUWFJFHSA-N 1 2 370.497 2.558 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3noc(C)n3)CC[C@@H]2C1 ZINC001087993032 971737783 /nfs/dbraw/zinc/73/77/83/971737783.db2.gz WWVOFLFCEPGPEI-UAGQMJEPSA-N 1 2 369.469 2.521 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3noc(C)n3)CC[C@@H]2C1 ZINC001087993032 971737788 /nfs/dbraw/zinc/73/77/88/971737788.db2.gz WWVOFLFCEPGPEI-UAGQMJEPSA-N 1 2 369.469 2.521 20 30 FFEDLO N#Cc1cccc(C(F)(F)F)c1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001174492831 1013222490 /nfs/dbraw/zinc/22/24/90/1013222490.db2.gz UIPLHAJXOXFMLC-UHFFFAOYSA-N 1 2 365.359 2.849 20 30 FFEDLO Cn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)c1 ZINC001095308281 1013237780 /nfs/dbraw/zinc/23/77/80/1013237780.db2.gz IEEKDJUDHLRUOF-NEWSRXKRSA-N 1 2 352.413 2.571 20 30 FFEDLO Cn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)c1 ZINC001095308281 1013237791 /nfs/dbraw/zinc/23/77/91/1013237791.db2.gz IEEKDJUDHLRUOF-NEWSRXKRSA-N 1 2 352.413 2.571 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1ccncc1)C2 ZINC001095428172 1013335518 /nfs/dbraw/zinc/33/55/18/1013335518.db2.gz JOSCRFRDUZPGPH-ZBRFXRBCSA-N 1 2 361.873 2.633 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1ccncc1)C2 ZINC001095428172 1013335523 /nfs/dbraw/zinc/33/55/23/1013335523.db2.gz JOSCRFRDUZPGPH-ZBRFXRBCSA-N 1 2 361.873 2.633 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(F)c(F)c1F ZINC001276062658 1013382297 /nfs/dbraw/zinc/38/22/97/1013382297.db2.gz WICRKDKUSVJMNO-HUUCEWRRSA-N 1 2 351.372 2.973 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(F)c(F)c1F ZINC001276062658 1013382306 /nfs/dbraw/zinc/38/23/06/1013382306.db2.gz WICRKDKUSVJMNO-HUUCEWRRSA-N 1 2 351.372 2.973 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(-c3ccccc3)cn1)C2 ZINC001095447826 1013423217 /nfs/dbraw/zinc/42/32/17/1013423217.db2.gz PEQMXFWDHOVWRD-RYRKJORJSA-N 1 2 356.857 2.960 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(-c3ccccc3)cn1)C2 ZINC001095447826 1013423225 /nfs/dbraw/zinc/42/32/25/1013423225.db2.gz PEQMXFWDHOVWRD-RYRKJORJSA-N 1 2 356.857 2.960 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC000960649884 1013441418 /nfs/dbraw/zinc/44/14/18/1013441418.db2.gz ZEMJUEOCNPYYAA-KURKYZTESA-N 1 2 361.486 2.695 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc(C)c(C)o1 ZINC000960649884 1013441424 /nfs/dbraw/zinc/44/14/24/1013441424.db2.gz ZEMJUEOCNPYYAA-KURKYZTESA-N 1 2 361.486 2.695 20 30 FFEDLO C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](C[NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC001087164466 964364194 /nfs/dbraw/zinc/36/41/94/964364194.db2.gz ZSTPDTLJAOUMBP-QAPCUYQASA-N 1 2 370.497 2.857 20 30 FFEDLO C=CCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[N@@H+]2C[C@H](CC)CCCC ZINC001269982767 964509832 /nfs/dbraw/zinc/50/98/32/964509832.db2.gz NJWAKCPUDSMIHN-QRVBRYPASA-N 1 2 352.519 2.707 20 30 FFEDLO C=CCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[N@H+]2C[C@H](CC)CCCC ZINC001269982767 964509842 /nfs/dbraw/zinc/50/98/42/964509842.db2.gz NJWAKCPUDSMIHN-QRVBRYPASA-N 1 2 352.519 2.707 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)CCCCC1 ZINC001111483498 964959945 /nfs/dbraw/zinc/95/99/45/964959945.db2.gz GSLJLZSXCDVZKQ-KURKYZTESA-N 1 2 373.541 2.596 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)CCCCC1 ZINC001111483498 964959954 /nfs/dbraw/zinc/95/99/54/964959954.db2.gz GSLJLZSXCDVZKQ-KURKYZTESA-N 1 2 373.541 2.596 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1CCC)C1CC[NH+]([C@H](C)c2nnc(C)o2)CC1 ZINC001270338678 964968359 /nfs/dbraw/zinc/96/83/59/964968359.db2.gz NKINPCAPZZILIH-QGPMSJSTSA-N 1 2 358.486 2.801 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000664702724 964995793 /nfs/dbraw/zinc/99/57/93/964995793.db2.gz YUFRAMSRMNXEEK-IYOUNJFTSA-N 1 2 367.440 2.990 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000664702724 964995802 /nfs/dbraw/zinc/99/58/02/964995802.db2.gz YUFRAMSRMNXEEK-IYOUNJFTSA-N 1 2 367.440 2.990 20 30 FFEDLO C[N@@H+]1CCO[C@H](CNC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000328972944 965172632 /nfs/dbraw/zinc/17/26/32/965172632.db2.gz BYIUGRPSYUNRRQ-VQBCORBOSA-N 1 2 363.502 2.837 20 30 FFEDLO C[N@H+]1CCO[C@H](CNC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000328972944 965172638 /nfs/dbraw/zinc/17/26/38/965172638.db2.gz BYIUGRPSYUNRRQ-VQBCORBOSA-N 1 2 363.502 2.837 20 30 FFEDLO Cc1ccc([C@@H](CNc2ccc(C#N)cc2CO)[NH+]2CCOCC2)cc1 ZINC000891913597 965388588 /nfs/dbraw/zinc/38/85/88/965388588.db2.gz ZRLMACUCXVUJIU-OAQYLSRUSA-N 1 2 351.450 2.844 20 30 FFEDLO O=C(CC1CCCC1)NC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000329006055 965461660 /nfs/dbraw/zinc/46/16/60/965461660.db2.gz XRDSMHZRXNLTLO-INIZCTEOSA-N 1 2 358.486 2.973 20 30 FFEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3C[C@H]3c3ccc(OC)cc3)C2)C1 ZINC000972420209 967046464 /nfs/dbraw/zinc/04/64/64/967046464.db2.gz PTQAJILSIFMJEE-RCZSKKKRSA-N 1 2 370.493 2.678 20 30 FFEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3C[C@H]3c3ccc(OC)cc3)C2)C1 ZINC000972420209 967046483 /nfs/dbraw/zinc/04/64/83/967046483.db2.gz PTQAJILSIFMJEE-RCZSKKKRSA-N 1 2 370.493 2.678 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)COc2c(C)cccc2C)c1 ZINC000052130766 967282223 /nfs/dbraw/zinc/28/22/23/967282223.db2.gz DABAMQODROLQNQ-HXUWFJFHSA-N 1 2 366.461 2.595 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)COc2c(C)cccc2C)c1 ZINC000052130766 967282231 /nfs/dbraw/zinc/28/22/31/967282231.db2.gz DABAMQODROLQNQ-HXUWFJFHSA-N 1 2 366.461 2.595 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)CC(C)(C)C ZINC001211866697 967400163 /nfs/dbraw/zinc/40/01/63/967400163.db2.gz CWAGVVSFQOSAAD-QZTJIDSGSA-N 1 2 362.901 2.943 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)CC(C)(C)C ZINC001211866697 967400171 /nfs/dbraw/zinc/40/01/71/967400171.db2.gz CWAGVVSFQOSAAD-QZTJIDSGSA-N 1 2 362.901 2.943 20 30 FFEDLO O=C([C@@H]1C[C@H]1c1ccncc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029313111 967682937 /nfs/dbraw/zinc/68/29/37/967682937.db2.gz PGCCDVVVHPCNPV-GSPCLOLRSA-N 1 2 371.484 2.912 20 30 FFEDLO O=C([C@@H]1C[C@H]1c1ccncc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029313111 967682943 /nfs/dbraw/zinc/68/29/43/967682943.db2.gz PGCCDVVVHPCNPV-GSPCLOLRSA-N 1 2 371.484 2.912 20 30 FFEDLO C[C@@H](c1cccc(NC(=O)N2CC3(C2)CCCOC3)c1)[NH+]1CCOCC1 ZINC000329577000 967813346 /nfs/dbraw/zinc/81/33/46/967813346.db2.gz SMHJJRXHLILETM-INIZCTEOSA-N 1 2 359.470 2.738 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1nc2c(o1)CCCC2 ZINC001087548828 968041426 /nfs/dbraw/zinc/04/14/26/968041426.db2.gz QSOZMQDUEKCZSM-DOTOQJQBSA-N 1 2 367.453 2.536 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1nc2c(o1)CCCC2 ZINC001087548828 968041437 /nfs/dbraw/zinc/04/14/37/968041437.db2.gz QSOZMQDUEKCZSM-DOTOQJQBSA-N 1 2 367.453 2.536 20 30 FFEDLO CC(C)C[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](NCC#N)C1)n1cc[nH+]c1 ZINC001211622533 968135186 /nfs/dbraw/zinc/13/51/86/968135186.db2.gz RYCWTXRGDOLNDA-ZCNNSNEGSA-N 1 2 365.481 2.578 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCCc2nc(C#N)ccc21 ZINC000892398558 968254087 /nfs/dbraw/zinc/25/40/87/968254087.db2.gz KOSPYEFWGGFHOM-UHFFFAOYSA-N 1 2 367.359 2.869 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001058571225 968613907 /nfs/dbraw/zinc/61/39/07/968613907.db2.gz CFELERNCKVWGSI-ZACQAIPSSA-N 1 2 358.486 2.585 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccn(C(C)C)n2)[C@@H]1CC ZINC001087732132 968790003 /nfs/dbraw/zinc/79/00/03/968790003.db2.gz DCYQSEOWZZAIQM-HCXYKTFWSA-N 1 2 360.502 2.524 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)[C@@H]1CC ZINC001087732132 968790012 /nfs/dbraw/zinc/79/00/12/968790012.db2.gz DCYQSEOWZZAIQM-HCXYKTFWSA-N 1 2 360.502 2.524 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2csc(C)n2)[C@@H]1CC ZINC001087758706 968915562 /nfs/dbraw/zinc/91/55/62/968915562.db2.gz HWOAECXYNVMWDQ-FJIDUMEYSA-N 1 2 363.527 2.902 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2csc(C)n2)[C@@H]1CC ZINC001087758706 968915569 /nfs/dbraw/zinc/91/55/69/968915569.db2.gz HWOAECXYNVMWDQ-FJIDUMEYSA-N 1 2 363.527 2.902 20 30 FFEDLO C=CCCC1(CNC(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CCCC1 ZINC000658701850 969008361 /nfs/dbraw/zinc/00/83/61/969008361.db2.gz HDHJQECCTXUFBR-ROUUACIJSA-N 1 2 372.513 2.935 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001024653260 969228984 /nfs/dbraw/zinc/22/89/84/969228984.db2.gz DEJJQZQBLDIACB-LJHODMEESA-N 1 2 359.445 2.593 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001024653260 969228990 /nfs/dbraw/zinc/22/89/90/969228990.db2.gz DEJJQZQBLDIACB-LJHODMEESA-N 1 2 359.445 2.593 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccn(C(C)C)n1 ZINC001024661673 969237581 /nfs/dbraw/zinc/23/75/81/969237581.db2.gz LEVHILBRYKMXQZ-OTWHNJEPSA-N 1 2 360.502 2.526 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccn(C(C)C)n1 ZINC001024661673 969237591 /nfs/dbraw/zinc/23/75/91/969237591.db2.gz LEVHILBRYKMXQZ-OTWHNJEPSA-N 1 2 360.502 2.526 20 30 FFEDLO COc1ccc(CN(C(=O)CO[NH+]=C(N)Cc2ccccc2)C2CC2)cc1 ZINC000177557902 969267475 /nfs/dbraw/zinc/26/74/75/969267475.db2.gz OCWLKSQUJRLMNN-UHFFFAOYSA-N 1 2 367.449 2.718 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnc(Cl)s1)C2 ZINC001112018062 970091413 /nfs/dbraw/zinc/09/14/13/970091413.db2.gz YZWVSIWJWXPSAT-IGCXYCKISA-N 1 2 369.918 2.858 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnc(Cl)s1)C2 ZINC001112018062 970091425 /nfs/dbraw/zinc/09/14/25/970091425.db2.gz YZWVSIWJWXPSAT-IGCXYCKISA-N 1 2 369.918 2.858 20 30 FFEDLO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(F)(F)F)s3)[C@H]2C1 ZINC001083289293 970600823 /nfs/dbraw/zinc/60/08/23/970600823.db2.gz FJLBLZXCGNVOLY-NWDGAFQWSA-N 1 2 360.401 2.868 20 30 FFEDLO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(F)(F)F)s3)[C@H]2C1 ZINC001083289293 970600828 /nfs/dbraw/zinc/60/08/28/970600828.db2.gz FJLBLZXCGNVOLY-NWDGAFQWSA-N 1 2 360.401 2.868 20 30 FFEDLO Cc1cc(C)c(CCNC(=O)C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c(C)c1 ZINC000330162206 970610503 /nfs/dbraw/zinc/61/05/03/970610503.db2.gz UJQAHYFAQWEEIG-GHTZIAJQSA-N 1 2 360.498 2.991 20 30 FFEDLO Cc1cc(C)c(CCNC(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c(C)c1 ZINC000330162206 970610513 /nfs/dbraw/zinc/61/05/13/970610513.db2.gz UJQAHYFAQWEEIG-GHTZIAJQSA-N 1 2 360.498 2.991 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C(C)C)nn3)CC[C@@H]2C1 ZINC001088093058 972713536 /nfs/dbraw/zinc/71/35/36/972713536.db2.gz IAKNSGDGBNBZPD-FUHIMQAGSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3cn(C(C)C)nn3)CC[C@@H]2C1 ZINC001088093058 972713541 /nfs/dbraw/zinc/71/35/41/972713541.db2.gz IAKNSGDGBNBZPD-FUHIMQAGSA-N 1 2 359.518 2.742 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)c3cccc4[nH+]ccn43)[C@H]2C1 ZINC000975849720 973494164 /nfs/dbraw/zinc/49/41/64/973494164.db2.gz JLJYDHBYWZDGHW-RDJZCZTQSA-N 1 2 366.465 2.610 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@H]3C2)CC1 ZINC000975982269 973662954 /nfs/dbraw/zinc/66/29/54/973662954.db2.gz HATWFBLMLGEBMS-WMZOPIPTSA-N 1 2 370.497 2.538 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2CC)CC1 ZINC000985412985 974004841 /nfs/dbraw/zinc/00/48/41/974004841.db2.gz ROFYHXDIJQUYQQ-FUHWJXTLSA-N 1 2 358.486 2.503 20 30 FFEDLO CC(C)(C)[C@@H](CNc1ncc(C#N)cc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001126133659 974764778 /nfs/dbraw/zinc/76/47/78/974764778.db2.gz BSENMRZERLVCRE-XJKCOSOUSA-N 1 2 370.432 2.562 20 30 FFEDLO CC(C)(C)[C@@H](CNc1ncc(C#N)cc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001126133659 974764782 /nfs/dbraw/zinc/76/47/82/974764782.db2.gz BSENMRZERLVCRE-XJKCOSOUSA-N 1 2 370.432 2.562 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001088760273 975956564 /nfs/dbraw/zinc/95/65/64/975956564.db2.gz UVCRBFIVYXDZGJ-BPQTVZERSA-N 1 2 359.445 2.591 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001088760273 975956572 /nfs/dbraw/zinc/95/65/72/975956572.db2.gz UVCRBFIVYXDZGJ-BPQTVZERSA-N 1 2 359.445 2.591 20 30 FFEDLO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001028149260 976918933 /nfs/dbraw/zinc/91/89/33/976918933.db2.gz BQVXZNOOYBHQNE-MLYOOKFZSA-N 1 2 372.896 2.840 20 30 FFEDLO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001028149260 976918940 /nfs/dbraw/zinc/91/89/40/976918940.db2.gz BQVXZNOOYBHQNE-MLYOOKFZSA-N 1 2 372.896 2.840 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@@H]2c2ccccc2)c1 ZINC001087437291 977069556 /nfs/dbraw/zinc/06/95/56/977069556.db2.gz KEGLCPSOVSODPA-WOJBJXKFSA-N 1 2 351.425 2.620 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@@H]2c2ccccc2)c1 ZINC001087437291 977069563 /nfs/dbraw/zinc/06/95/63/977069563.db2.gz KEGLCPSOVSODPA-WOJBJXKFSA-N 1 2 351.425 2.620 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3csc(-c4ccoc4)n3)C[C@H]21 ZINC001075616625 977329203 /nfs/dbraw/zinc/32/92/03/977329203.db2.gz YUSGLDGVYLTJHA-DVOMOZLQSA-N 1 2 356.451 2.595 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3csc(-c4ccoc4)n3)C[C@H]21 ZINC001075616625 977329210 /nfs/dbraw/zinc/32/92/10/977329210.db2.gz YUSGLDGVYLTJHA-DVOMOZLQSA-N 1 2 356.451 2.595 20 30 FFEDLO C[NH+](C)Cc1ccc(NC(=O)[C@H]2NCCc3cc(C#N)ccc32)cc1F ZINC000876776962 1014390083 /nfs/dbraw/zinc/39/00/83/1014390083.db2.gz LUAFXHNMSCLEPE-IBGZPJMESA-N 1 2 352.413 2.584 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001060091748 977415091 /nfs/dbraw/zinc/41/50/91/977415091.db2.gz QJRAXRHZTDHXGQ-NXHRZFHOSA-N 1 2 370.497 2.904 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cnoc2CC)C1 ZINC001087458682 977929231 /nfs/dbraw/zinc/92/92/31/977929231.db2.gz OTFLUVBVDHVTFE-SJLPKXTDSA-N 1 2 355.413 2.597 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cnoc2CC)C1 ZINC001087458682 977929239 /nfs/dbraw/zinc/92/92/39/977929239.db2.gz OTFLUVBVDHVTFE-SJLPKXTDSA-N 1 2 355.413 2.597 20 30 FFEDLO N#Cc1c(F)cccc1NC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001060103335 979169337 /nfs/dbraw/zinc/16/93/37/979169337.db2.gz UTCHMSXQLYGKRI-RBSFLKMASA-N 1 2 367.428 2.875 20 30 FFEDLO N#Cc1c(F)cccc1NC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001060103335 979169341 /nfs/dbraw/zinc/16/93/41/979169341.db2.gz UTCHMSXQLYGKRI-RBSFLKMASA-N 1 2 367.428 2.875 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cncs3)[C@@H]2C1 ZINC001076241501 979260182 /nfs/dbraw/zinc/26/01/82/979260182.db2.gz QUOAEOLNZRMOIR-GXTWGEPZSA-N 1 2 370.316 2.517 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3cncs3)[C@@H]2C1 ZINC001076241501 979260189 /nfs/dbraw/zinc/26/01/89/979260189.db2.gz QUOAEOLNZRMOIR-GXTWGEPZSA-N 1 2 370.316 2.517 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cccc3)[C@@H]2C1 ZINC001076401128 979461114 /nfs/dbraw/zinc/46/11/14/979461114.db2.gz JTIRVRGQZFICGP-FXAWDEMLSA-N 1 2 366.440 2.622 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cccc3)[C@@H]2C1 ZINC001076401128 979461117 /nfs/dbraw/zinc/46/11/17/979461117.db2.gz JTIRVRGQZFICGP-FXAWDEMLSA-N 1 2 366.440 2.622 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccccc3C)[C@@H]2C1 ZINC001076550895 979641843 /nfs/dbraw/zinc/64/18/43/979641843.db2.gz AWKOZGURCZQIPP-DLBZAZTESA-N 1 2 363.299 2.979 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccccc3C)[C@@H]2C1 ZINC001076550895 979641846 /nfs/dbraw/zinc/64/18/46/979641846.db2.gz AWKOZGURCZQIPP-DLBZAZTESA-N 1 2 363.299 2.979 20 30 FFEDLO CCn1cccc1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001076575341 979664198 /nfs/dbraw/zinc/66/41/98/979664198.db2.gz MSJPQMYHVKSULY-OXJNMPFZSA-N 1 2 366.440 2.865 20 30 FFEDLO CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001076575341 979664203 /nfs/dbraw/zinc/66/42/03/979664203.db2.gz MSJPQMYHVKSULY-OXJNMPFZSA-N 1 2 366.440 2.865 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2cn(C)nc2-c2cc(F)ccc2F)CC1 ZINC000877566793 1014629533 /nfs/dbraw/zinc/62/95/33/1014629533.db2.gz PKKDQKIZZCZGNV-UHFFFAOYSA-N 1 2 374.391 2.644 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)Cc2cccnc2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088525418 980435282 /nfs/dbraw/zinc/43/52/82/980435282.db2.gz WIQSAHASXIPSBR-UZLBHIALSA-N 1 2 367.880 2.908 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)Cc2cccnc2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088525418 980435285 /nfs/dbraw/zinc/43/52/85/980435285.db2.gz WIQSAHASXIPSBR-UZLBHIALSA-N 1 2 367.880 2.908 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C)n1cccc1 ZINC001088527454 980442602 /nfs/dbraw/zinc/44/26/02/980442602.db2.gz QLYJBRBSQMIXFE-VCBZYWHSSA-N 1 2 354.429 2.839 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C)n1cccc1 ZINC001088527454 980442605 /nfs/dbraw/zinc/44/26/05/980442605.db2.gz QLYJBRBSQMIXFE-VCBZYWHSSA-N 1 2 354.429 2.839 20 30 FFEDLO C=CC(C)(C)C(=O)N1CCCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000987095964 980499678 /nfs/dbraw/zinc/49/96/78/980499678.db2.gz IFRXJRCDEHFZSL-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CC(C)(C)C(=O)N1CCCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000987095964 980499683 /nfs/dbraw/zinc/49/96/83/980499683.db2.gz IFRXJRCDEHFZSL-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)ns1 ZINC001088543955 980502275 /nfs/dbraw/zinc/50/22/75/980502275.db2.gz FVWPHWIHAIXLFN-WBMJQRKESA-N 1 2 358.442 2.855 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)ns1 ZINC001088543955 980502280 /nfs/dbraw/zinc/50/22/80/980502280.db2.gz FVWPHWIHAIXLFN-WBMJQRKESA-N 1 2 358.442 2.855 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C3CC(C)(C)C3)[C@H]2C)c1 ZINC001088551943 980644602 /nfs/dbraw/zinc/64/46/02/980644602.db2.gz DYEMJXXIGPQKFH-BEFAXECRSA-N 1 2 367.493 2.622 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C3CC(C)(C)C3)[C@H]2C)c1 ZINC001088551943 980644607 /nfs/dbraw/zinc/64/46/07/980644607.db2.gz DYEMJXXIGPQKFH-BEFAXECRSA-N 1 2 367.493 2.622 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc3c(o2)CCCC3)[C@@H]1C ZINC001088576497 981267056 /nfs/dbraw/zinc/26/70/56/981267056.db2.gz RVPIBTZXOKGIBM-CBZIJGRNSA-N 1 2 373.497 2.614 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc3c(o2)CCCC3)[C@@H]1C ZINC001088576497 981267057 /nfs/dbraw/zinc/26/70/57/981267057.db2.gz RVPIBTZXOKGIBM-CBZIJGRNSA-N 1 2 373.497 2.614 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)[C@H]1C ZINC001088578299 981288158 /nfs/dbraw/zinc/28/81/58/981288158.db2.gz RRBRSOWFJUHXFQ-BVUBDWEXSA-N 1 2 364.287 2.673 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)[C@H]1C ZINC001088578299 981288162 /nfs/dbraw/zinc/28/81/62/981288162.db2.gz RRBRSOWFJUHXFQ-BVUBDWEXSA-N 1 2 364.287 2.673 20 30 FFEDLO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)cc1 ZINC000877774154 1014723128 /nfs/dbraw/zinc/72/31/28/1014723128.db2.gz HXXQQNZBKANXMZ-KRWDZBQOSA-N 1 2 368.403 2.679 20 30 FFEDLO CN(CCC#N)c1ccc(C[N@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)cc1 ZINC000877774154 1014723137 /nfs/dbraw/zinc/72/31/37/1014723137.db2.gz HXXQQNZBKANXMZ-KRWDZBQOSA-N 1 2 368.403 2.679 20 30 FFEDLO C#Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)cc1 ZINC000897496972 981328336 /nfs/dbraw/zinc/32/83/36/981328336.db2.gz UHCFUWACISUAPU-UHFFFAOYSA-N 1 2 361.445 2.584 20 30 FFEDLO COC1CC(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)[C@@H]2C)C1 ZINC001088645824 982122615 /nfs/dbraw/zinc/12/26/15/982122615.db2.gz ZTRNWDCXNIGQBV-MRTGAJDVSA-N 1 2 360.885 2.696 20 30 FFEDLO COC1CC(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)[C@@H]2C)C1 ZINC001088645824 982122619 /nfs/dbraw/zinc/12/26/19/982122619.db2.gz ZTRNWDCXNIGQBV-MRTGAJDVSA-N 1 2 360.885 2.696 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccn(CC)n3)[C@@H]2C)cc1 ZINC001088672304 982266420 /nfs/dbraw/zinc/26/64/20/982266420.db2.gz USFHAOSGQFODRP-UZLBHIALSA-N 1 2 368.481 2.861 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(CC)n3)[C@@H]2C)cc1 ZINC001088672304 982266425 /nfs/dbraw/zinc/26/64/25/982266425.db2.gz USFHAOSGQFODRP-UZLBHIALSA-N 1 2 368.481 2.861 20 30 FFEDLO CCc1nnc(C)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088677356 982279074 /nfs/dbraw/zinc/27/90/74/982279074.db2.gz ICLIDDDHZROZOO-QRWLVFNGSA-N 1 2 363.465 2.612 20 30 FFEDLO CCc1nnc(C)cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088677356 982279080 /nfs/dbraw/zinc/27/90/80/982279080.db2.gz ICLIDDDHZROZOO-QRWLVFNGSA-N 1 2 363.465 2.612 20 30 FFEDLO COc1ccccc1C[N@H+](CCO)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878049109 1014836119 /nfs/dbraw/zinc/83/61/19/1014836119.db2.gz ZJJQEQKOHJMSDK-JOCHJYFZSA-N 1 2 366.461 2.930 20 30 FFEDLO COc1ccccc1C[N@@H+](CCO)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878049109 1014836125 /nfs/dbraw/zinc/83/61/25/1014836125.db2.gz ZJJQEQKOHJMSDK-JOCHJYFZSA-N 1 2 366.461 2.930 20 30 FFEDLO Cc1c(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cnn1CCC#N ZINC000897755353 982496032 /nfs/dbraw/zinc/49/60/32/982496032.db2.gz HHSVEFSFJCYWKH-WKILWMFISA-N 1 2 352.442 2.653 20 30 FFEDLO C=C(C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(C3CC3)nn1C)CC2 ZINC001107424403 984525950 /nfs/dbraw/zinc/52/59/50/984525950.db2.gz MFVUNVFWCKUSCP-DYESRHJHSA-N 1 2 371.529 2.910 20 30 FFEDLO C=C(C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nc(C3CC3)nn1C)CC2 ZINC001107424403 984525953 /nfs/dbraw/zinc/52/59/53/984525953.db2.gz MFVUNVFWCKUSCP-DYESRHJHSA-N 1 2 371.529 2.910 20 30 FFEDLO C=CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncnn1CCC)CC2 ZINC001107523983 984633597 /nfs/dbraw/zinc/63/35/97/984633597.db2.gz AFRLZJVKDLBDRQ-YLJYHZDGSA-N 1 2 359.518 2.905 20 30 FFEDLO C=CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncnn1CCC)CC2 ZINC001107523983 984633600 /nfs/dbraw/zinc/63/36/00/984633600.db2.gz AFRLZJVKDLBDRQ-YLJYHZDGSA-N 1 2 359.518 2.905 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001060315386 984645970 /nfs/dbraw/zinc/64/59/70/984645970.db2.gz UCHHLCIQXFSDQD-LNLFQRSKSA-N 1 2 358.486 2.949 20 30 FFEDLO C[C@H]1CCc2ccccc2N1C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158235955 984804529 /nfs/dbraw/zinc/80/45/29/984804529.db2.gz CKDRKJVBAZPFGS-AWEZNQCLSA-N 1 2 365.433 2.626 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@H](CC)c3ccc(F)cc3F)C[C@H]2O)C1 ZINC001077645684 984913132 /nfs/dbraw/zinc/91/31/32/984913132.db2.gz RVJRHPGFAOMMAT-KZNAEPCWSA-N 1 2 364.436 2.934 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@H](CC)c3ccc(F)cc3F)C[C@H]2O)C1 ZINC001077645684 984913137 /nfs/dbraw/zinc/91/31/37/984913137.db2.gz RVJRHPGFAOMMAT-KZNAEPCWSA-N 1 2 364.436 2.934 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncoc2C2CC2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088960013 985625996 /nfs/dbraw/zinc/62/59/96/985625996.db2.gz KFCKSFNWPPVBBQ-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncoc2C2CC2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088960013 985626001 /nfs/dbraw/zinc/62/60/01/985626001.db2.gz KFCKSFNWPPVBBQ-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001089031928 986021129 /nfs/dbraw/zinc/02/11/29/986021129.db2.gz KPZCJHQOVCSTLD-QAPCUYQASA-N 1 2 369.440 2.929 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001089031928 986021143 /nfs/dbraw/zinc/02/11/43/986021143.db2.gz KPZCJHQOVCSTLD-QAPCUYQASA-N 1 2 369.440 2.929 20 30 FFEDLO Cc1nnc([C@H](C)O[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)o1 ZINC000174131482 986096490 /nfs/dbraw/zinc/09/64/90/986096490.db2.gz YHUBZTOPRARQNX-LBPRGKRZSA-N 1 2 353.382 2.750 20 30 FFEDLO C=C1CCC(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC000964985955 1015210768 /nfs/dbraw/zinc/21/07/68/1015210768.db2.gz PTJZUVSVJKKBOT-KZNAEPCWSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CCC(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC000964985955 1015210782 /nfs/dbraw/zinc/21/07/82/1015210782.db2.gz PTJZUVSVJKKBOT-KZNAEPCWSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1coc(C3CC3)n1)CC2 ZINC000992243381 986561481 /nfs/dbraw/zinc/56/14/81/986561481.db2.gz VIWYACXRLXZGRX-IIMDRIAPSA-N 1 2 371.481 2.756 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1coc(C3CC3)n1)CC2 ZINC000992243381 986561492 /nfs/dbraw/zinc/56/14/92/986561492.db2.gz VIWYACXRLXZGRX-IIMDRIAPSA-N 1 2 371.481 2.756 20 30 FFEDLO C/C(=C/C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F)C[NH+]1CCOCC1 ZINC000913782539 986911063 /nfs/dbraw/zinc/91/10/63/986911063.db2.gz WSOADNSVKCNYMV-HOFZKYPUSA-N 1 2 367.371 2.556 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001061041431 987252978 /nfs/dbraw/zinc/25/29/78/987252978.db2.gz WFZVLBAWWZYJBL-HZPDHXFCSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001061041431 987252986 /nfs/dbraw/zinc/25/29/86/987252986.db2.gz WFZVLBAWWZYJBL-HZPDHXFCSA-N 1 2 370.497 2.567 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCc2c(cccc2C(N)=O)C1)c1ccccc1 ZINC000879000236 1015317302 /nfs/dbraw/zinc/31/73/02/1015317302.db2.gz PKUUKEHLFHJYSW-JOCHJYFZSA-N 1 2 361.445 2.584 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCc2c(cccc2C(N)=O)C1)c1ccccc1 ZINC000879000236 1015317310 /nfs/dbraw/zinc/31/73/10/1015317310.db2.gz PKUUKEHLFHJYSW-JOCHJYFZSA-N 1 2 361.445 2.584 20 30 FFEDLO CC(C)(F)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001099198211 987643927 /nfs/dbraw/zinc/64/39/27/987643927.db2.gz QVNMTERETRMFIH-ZIAGYGMSSA-N 1 2 357.351 2.785 20 30 FFEDLO N#Cc1cc(I)c(O[C@@H]2C[NH+]3CCC2CC3)cc1F ZINC001234391391 987643948 /nfs/dbraw/zinc/64/39/48/987643948.db2.gz SPVMAMXEVLVMIF-CQSZACIVSA-N 1 2 372.181 2.775 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673289836 987980073 /nfs/dbraw/zinc/98/00/73/987980073.db2.gz WTKLAYIDNXDYEI-GOSISDBHSA-N 1 2 369.490 2.566 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673289836 987980081 /nfs/dbraw/zinc/98/00/81/987980081.db2.gz WTKLAYIDNXDYEI-GOSISDBHSA-N 1 2 369.490 2.566 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)C#Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000762233474 988238394 /nfs/dbraw/zinc/23/83/94/988238394.db2.gz HMGKQIUKHDGHGK-GOSISDBHSA-N 1 2 373.412 2.601 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)ccc1F ZINC001007913974 1015419891 /nfs/dbraw/zinc/41/98/91/1015419891.db2.gz QSUUXAVJSGOEGE-QFUCXCTJSA-N 1 2 371.456 2.737 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)ccc1F ZINC001007913974 1015419896 /nfs/dbraw/zinc/41/98/96/1015419896.db2.gz QSUUXAVJSGOEGE-QFUCXCTJSA-N 1 2 371.456 2.737 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C2=CCCC2)C1 ZINC000993637216 989320027 /nfs/dbraw/zinc/32/00/27/989320027.db2.gz YJPMKDCJUCKKIN-LZJOCLMNSA-N 1 2 370.497 2.543 20 30 FFEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001168751067 989471990 /nfs/dbraw/zinc/47/19/90/989471990.db2.gz PCJWQGXKLALRNI-RVKKMQEKSA-N 1 2 359.470 2.921 20 30 FFEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001168751067 989471997 /nfs/dbraw/zinc/47/19/97/989471997.db2.gz PCJWQGXKLALRNI-RVKKMQEKSA-N 1 2 359.470 2.921 20 30 FFEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001168751069 989472215 /nfs/dbraw/zinc/47/22/15/989472215.db2.gz PCJWQGXKLALRNI-VKJFTORMSA-N 1 2 359.470 2.921 20 30 FFEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001168751069 989472218 /nfs/dbraw/zinc/47/22/18/989472218.db2.gz PCJWQGXKLALRNI-VKJFTORMSA-N 1 2 359.470 2.921 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033440455 989590426 /nfs/dbraw/zinc/59/04/26/989590426.db2.gz PSALMQDPGXHCKQ-XFKSJGNHSA-N 1 2 372.896 2.792 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033440455 989590433 /nfs/dbraw/zinc/59/04/33/989590433.db2.gz PSALMQDPGXHCKQ-XFKSJGNHSA-N 1 2 372.896 2.792 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC001033497361 989626691 /nfs/dbraw/zinc/62/66/91/989626691.db2.gz MHZVMBYWAXDDAU-GJYPPUQNSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001033497361 989626696 /nfs/dbraw/zinc/62/66/96/989626696.db2.gz MHZVMBYWAXDDAU-GJYPPUQNSA-N 1 2 364.436 2.979 20 30 FFEDLO O=[N+]([O-])c1ccc(N=NC2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000915933314 989714376 /nfs/dbraw/zinc/71/43/76/989714376.db2.gz SKCFHSKKXUBJBR-UHFFFAOYSA-N 1 2 356.342 2.966 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001034403347 990059050 /nfs/dbraw/zinc/05/90/50/990059050.db2.gz FUZGETPGJWWTJH-ZACQAIPSSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001034403347 990059060 /nfs/dbraw/zinc/05/90/60/990059060.db2.gz FUZGETPGJWWTJH-ZACQAIPSSA-N 1 2 359.470 2.614 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(Cc2ccc(C#N)cc2)CC1=O ZINC000917141263 990156628 /nfs/dbraw/zinc/15/66/28/990156628.db2.gz VAUUPASWZQDDMP-UHFFFAOYSA-N 1 2 357.417 2.718 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)[nH+]c(C)c1C ZINC001062593559 990723531 /nfs/dbraw/zinc/72/35/31/990723531.db2.gz TUAXNSRLMKKEBN-VJANTYMQSA-N 1 2 370.497 2.563 20 30 FFEDLO CO[C@@H]1C[N@@H+]([C@H](C)c2nc3ccccc3o2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212253791 991028048 /nfs/dbraw/zinc/02/80/48/991028048.db2.gz JCDFBLNKAQBTPG-QGPMSJSTSA-N 1 2 369.465 2.754 20 30 FFEDLO CO[C@@H]1C[N@H+]([C@H](C)c2nc3ccccc3o2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212253791 991028054 /nfs/dbraw/zinc/02/80/54/991028054.db2.gz JCDFBLNKAQBTPG-QGPMSJSTSA-N 1 2 369.465 2.754 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001006105326 991177344 /nfs/dbraw/zinc/17/73/44/991177344.db2.gz VEXRBOUNHCEWHM-HKUYNNGSSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001063300679 991434008 /nfs/dbraw/zinc/43/40/08/991434008.db2.gz VXGAFMFFLSSWQX-KURKYZTESA-N 1 2 358.486 2.807 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)CSCc2coc(-c3ccccc3)n2)CC1 ZINC000068468565 991446985 /nfs/dbraw/zinc/44/69/85/991446985.db2.gz SQNBXDOSFISZGR-UHFFFAOYSA-N 1 2 369.490 2.742 20 30 FFEDLO NC(=[NH+]OCc1ccc(CO)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000180367158 991485381 /nfs/dbraw/zinc/48/53/81/991485381.db2.gz BAEUJQLFLOFLGK-UHFFFAOYSA-N 1 2 363.417 2.990 20 30 FFEDLO N#Cc1ccc(NCC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)nc1 ZINC001063852657 991557445 /nfs/dbraw/zinc/55/74/45/991557445.db2.gz JDJITKIEZJDUBN-BRWVUGGUSA-N 1 2 364.453 2.663 20 30 FFEDLO N#Cc1ccc(NCC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)nc1 ZINC001063852657 991557449 /nfs/dbraw/zinc/55/74/49/991557449.db2.gz JDJITKIEZJDUBN-BRWVUGGUSA-N 1 2 364.453 2.663 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2OC)C[C@H]1OC ZINC001212333012 991707313 /nfs/dbraw/zinc/70/73/13/991707313.db2.gz SXQNEIJGZRDMQL-SJLPKXTDSA-N 1 2 364.461 2.752 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2OC)C[C@H]1OC ZINC001212333012 991707324 /nfs/dbraw/zinc/70/73/24/991707324.db2.gz SXQNEIJGZRDMQL-SJLPKXTDSA-N 1 2 364.461 2.752 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1CNc1cccc(F)c1C#N ZINC001065014078 991741183 /nfs/dbraw/zinc/74/11/83/991741183.db2.gz FKPUILLIJRUEQY-RRFJBIMHSA-N 1 2 367.428 2.637 20 30 FFEDLO C#CC[NH2+][C@@H]1CN(C(=O)c2[nH]nc3ccccc32)C[C@H]1c1ccccc1F ZINC001079319756 991995195 /nfs/dbraw/zinc/99/51/95/991995195.db2.gz MPKSFFKWNUBSDB-QFBILLFUSA-N 1 2 362.408 2.533 20 30 FFEDLO CCc1ocnc1C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC001079510926 992153781 /nfs/dbraw/zinc/15/37/81/992153781.db2.gz RETHXCNYLXSMOJ-RHSMWYFYSA-N 1 2 371.868 2.992 20 30 FFEDLO CCc1ocnc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC001079510926 992153787 /nfs/dbraw/zinc/15/37/87/992153787.db2.gz RETHXCNYLXSMOJ-RHSMWYFYSA-N 1 2 371.868 2.992 20 30 FFEDLO CCCCc1nc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC001079540375 992191632 /nfs/dbraw/zinc/19/16/32/992191632.db2.gz SPMKNBIHDKQJMY-CXAGYDPISA-N 1 2 371.510 2.936 20 30 FFEDLO CCCCc1nc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC001079540375 992191640 /nfs/dbraw/zinc/19/16/40/992191640.db2.gz SPMKNBIHDKQJMY-CXAGYDPISA-N 1 2 371.510 2.936 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079542450 992193050 /nfs/dbraw/zinc/19/30/50/992193050.db2.gz VMRKYPDAKAAWEV-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079542450 992193055 /nfs/dbraw/zinc/19/30/55/992193055.db2.gz VMRKYPDAKAAWEV-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO CCn1ccnc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001079635707 992259259 /nfs/dbraw/zinc/25/92/59/992259259.db2.gz LDMZTJWXEWSPNR-CRAIPNDOSA-N 1 2 370.884 2.658 20 30 FFEDLO CCn1ccnc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001079635707 992259269 /nfs/dbraw/zinc/25/92/69/992259269.db2.gz LDMZTJWXEWSPNR-CRAIPNDOSA-N 1 2 370.884 2.658 20 30 FFEDLO Cc1ccccc1OCCON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000072060208 992728713 /nfs/dbraw/zinc/72/87/13/992728713.db2.gz PVUQDUBUJMDODM-UHFFFAOYSA-N 1 2 369.465 2.543 20 30 FFEDLO Cc1ncccc1CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001080438458 993057979 /nfs/dbraw/zinc/05/79/79/993057979.db2.gz YRGSKVZYSAFEKJ-JLTOFOAXSA-N 1 2 366.440 2.580 20 30 FFEDLO Cc1ncccc1CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001080438458 993057981 /nfs/dbraw/zinc/05/79/81/993057981.db2.gz YRGSKVZYSAFEKJ-JLTOFOAXSA-N 1 2 366.440 2.580 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ocnc1C(F)F ZINC001080457644 993079200 /nfs/dbraw/zinc/07/92/00/993079200.db2.gz HEZYBQUEGLKTAE-UKRRQHHQSA-N 1 2 359.376 2.714 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ocnc1C(F)F ZINC001080457644 993079207 /nfs/dbraw/zinc/07/92/07/993079207.db2.gz HEZYBQUEGLKTAE-UKRRQHHQSA-N 1 2 359.376 2.714 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccsc2C)C1 ZINC001080564020 993170487 /nfs/dbraw/zinc/17/04/87/993170487.db2.gz ISWAFDFJSRTHIM-QMTHXVAHSA-N 1 2 357.317 2.944 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccsc2C)C1 ZINC001080564020 993170492 /nfs/dbraw/zinc/17/04/92/993170492.db2.gz ISWAFDFJSRTHIM-QMTHXVAHSA-N 1 2 357.317 2.944 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)oc3C)C[C@H]2C)cc1 ZINC001080575155 993181565 /nfs/dbraw/zinc/18/15/65/993181565.db2.gz HUZLIVWPWNDSFO-AUUYWEPGSA-N 1 2 367.449 2.554 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)oc3C)C[C@H]2C)cc1 ZINC001080575155 993181566 /nfs/dbraw/zinc/18/15/66/993181566.db2.gz HUZLIVWPWNDSFO-AUUYWEPGSA-N 1 2 367.449 2.554 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@H+]([C@H](C)c2ncc(C)o2)C[C@H]1C ZINC001080753391 993336054 /nfs/dbraw/zinc/33/60/54/993336054.db2.gz HTRRBXKSAOQTIZ-FVQBIDKESA-N 1 2 370.453 2.754 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ncc(C)o2)C[C@H]1C ZINC001080753391 993336058 /nfs/dbraw/zinc/33/60/58/993336058.db2.gz HTRRBXKSAOQTIZ-FVQBIDKESA-N 1 2 370.453 2.754 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2csnn2)C1 ZINC001081159790 993708046 /nfs/dbraw/zinc/70/80/46/993708046.db2.gz CWGULOVUNWPLFD-DLBZAZTESA-N 1 2 356.495 2.835 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ccccc1C ZINC001081304015 993792631 /nfs/dbraw/zinc/79/26/31/993792631.db2.gz QXRJAXULOKMUSX-QZTJIDSGSA-N 1 2 355.463 2.557 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ccccc1C ZINC001081304015 993792637 /nfs/dbraw/zinc/79/26/37/993792637.db2.gz QXRJAXULOKMUSX-QZTJIDSGSA-N 1 2 355.463 2.557 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)CC1=CCCCC1 ZINC001081444268 993849761 /nfs/dbraw/zinc/84/97/61/993849761.db2.gz YLEWJVLBAJEYJD-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)CC1=CCCCC1 ZINC001081444268 993849768 /nfs/dbraw/zinc/84/97/68/993849768.db2.gz YLEWJVLBAJEYJD-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CCc1ccccc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001082074110 994146958 /nfs/dbraw/zinc/14/69/58/994146958.db2.gz KSLTVKSVIUALQK-RTBURBONSA-N 1 2 369.490 2.811 20 30 FFEDLO CCc1ccccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001082074110 994146962 /nfs/dbraw/zinc/14/69/62/994146962.db2.gz KSLTVKSVIUALQK-RTBURBONSA-N 1 2 369.490 2.811 20 30 FFEDLO C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[NH+]1CC(=O)NCCC#N ZINC000808798622 994270380 /nfs/dbraw/zinc/27/03/80/994270380.db2.gz PXWOQADBZRHNKZ-KBPBESRZSA-N 1 2 368.403 2.634 20 30 FFEDLO C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001131506750 994337270 /nfs/dbraw/zinc/33/72/70/994337270.db2.gz NLXRGWLRVBRFLG-QLFBSQMISA-N 1 2 366.399 2.839 20 30 FFEDLO C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001131506750 994337284 /nfs/dbraw/zinc/33/72/84/994337284.db2.gz NLXRGWLRVBRFLG-QLFBSQMISA-N 1 2 366.399 2.839 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cc(C)cc(C)c1 ZINC001082344631 994400353 /nfs/dbraw/zinc/40/03/53/994400353.db2.gz XHFIQLUTQIUMEL-NHCUHLMSSA-N 1 2 363.461 2.804 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cc(C)cc(C)c1 ZINC001082344631 994400360 /nfs/dbraw/zinc/40/03/60/994400360.db2.gz XHFIQLUTQIUMEL-NHCUHLMSSA-N 1 2 363.461 2.804 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccc(C)c(C)c1 ZINC001082354609 994427765 /nfs/dbraw/zinc/42/77/65/994427765.db2.gz DZQDZLXJFVFIFW-NHCUHLMSSA-N 1 2 363.461 2.804 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccc(C)c(C)c1 ZINC001082354609 994427778 /nfs/dbraw/zinc/42/77/78/994427778.db2.gz DZQDZLXJFVFIFW-NHCUHLMSSA-N 1 2 363.461 2.804 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1CCC=CCC1 ZINC001082374832 994478036 /nfs/dbraw/zinc/47/80/36/994478036.db2.gz RIUCBDBXUZPLTQ-QZTJIDSGSA-N 1 2 359.495 2.682 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1CCC=CCC1 ZINC001082374832 994478045 /nfs/dbraw/zinc/47/80/45/994478045.db2.gz RIUCBDBXUZPLTQ-QZTJIDSGSA-N 1 2 359.495 2.682 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccc(CF)cc1 ZINC001082390011 994514141 /nfs/dbraw/zinc/51/41/41/994514141.db2.gz UPOAJIATBAFOEO-NHCUHLMSSA-N 1 2 366.436 2.637 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccc(CF)cc1 ZINC001082390011 994514148 /nfs/dbraw/zinc/51/41/48/994514148.db2.gz UPOAJIATBAFOEO-NHCUHLMSSA-N 1 2 366.436 2.637 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@]1(C)CC=C(C)CC1 ZINC001082380423 994528144 /nfs/dbraw/zinc/52/81/44/994528144.db2.gz QBSRRDDFQZZTSD-MQSCRBSSSA-N 1 2 366.505 2.990 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@]1(C)CC=C(C)CC1 ZINC001082380423 994528155 /nfs/dbraw/zinc/52/81/55/994528155.db2.gz QBSRRDDFQZZTSD-MQSCRBSSSA-N 1 2 366.505 2.990 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1CC)CO2 ZINC001053906942 1015904104 /nfs/dbraw/zinc/90/41/04/1015904104.db2.gz KRQPDMSFIROWOD-YSIASYRMSA-N 1 2 354.494 2.888 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3noc(-c4ccoc4)n3)C2)C1 ZINC001082729473 995372610 /nfs/dbraw/zinc/37/26/10/995372610.db2.gz CYKWOOCAAFENGW-UKRRQHHQSA-N 1 2 356.426 2.622 20 30 FFEDLO CC(C)c1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)n[nH]1 ZINC001082754551 995416973 /nfs/dbraw/zinc/41/69/73/995416973.db2.gz ILDSYZHDORAIHT-AUUYWEPGSA-N 1 2 351.454 2.655 20 30 FFEDLO CC1(C)CCCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001084126954 996264893 /nfs/dbraw/zinc/26/48/93/996264893.db2.gz PFVQJZWHEVJESK-AQNXPRMDSA-N 1 2 369.509 2.826 20 30 FFEDLO CC1(C)CCCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001084126954 996264898 /nfs/dbraw/zinc/26/48/98/996264898.db2.gz PFVQJZWHEVJESK-AQNXPRMDSA-N 1 2 369.509 2.826 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@H+](Cc1cnoc1C)C2 ZINC001054281772 1016018220 /nfs/dbraw/zinc/01/82/20/1016018220.db2.gz BECQUOQQTVRSCH-UXHICEINSA-N 1 2 367.449 2.706 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](Cc1cnoc1C)C2 ZINC001054281772 1016018227 /nfs/dbraw/zinc/01/82/27/1016018227.db2.gz BECQUOQQTVRSCH-UXHICEINSA-N 1 2 367.449 2.706 20 30 FFEDLO Cc1occc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084176464 996308020 /nfs/dbraw/zinc/30/80/20/996308020.db2.gz ZURQBZYFIZHFQJ-YLJYHZDGSA-N 1 2 352.409 2.925 20 30 FFEDLO Cc1occc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084176464 996308026 /nfs/dbraw/zinc/30/80/26/996308026.db2.gz ZURQBZYFIZHFQJ-YLJYHZDGSA-N 1 2 352.409 2.925 20 30 FFEDLO CCc1ocnc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084246692 996351715 /nfs/dbraw/zinc/35/17/15/996351715.db2.gz CGBYEKUINZJPPN-RHSMWYFYSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1ocnc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084246692 996351721 /nfs/dbraw/zinc/35/17/21/996351721.db2.gz CGBYEKUINZJPPN-RHSMWYFYSA-N 1 2 368.412 2.594 20 30 FFEDLO Cc1ccncc1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084250751 996355801 /nfs/dbraw/zinc/35/58/01/996355801.db2.gz URQMDKCSTOZUIE-OXQOHEQNSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1ccncc1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084250751 996355805 /nfs/dbraw/zinc/35/58/05/996355805.db2.gz URQMDKCSTOZUIE-OXQOHEQNSA-N 1 2 364.424 2.747 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cscn4)[C@@H]3C2)c(F)c1 ZINC001084228892 996378024 /nfs/dbraw/zinc/37/80/24/996378024.db2.gz WCOISYRFMMCWCZ-RHSMWYFYSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cscn4)[C@@H]3C2)c(F)c1 ZINC001084228892 996378029 /nfs/dbraw/zinc/37/80/29/996378029.db2.gz WCOISYRFMMCWCZ-RHSMWYFYSA-N 1 2 356.426 2.500 20 30 FFEDLO O=C(C#CC1CC1)N1C[C@H]2CC[N@@H+](Cc3cc(Cl)cc4c3OCC4)C[C@H]21 ZINC001084334158 996463470 /nfs/dbraw/zinc/46/34/70/996463470.db2.gz QZUGJPXLRRLDAW-VQIMIIECSA-N 1 2 370.880 2.721 20 30 FFEDLO O=C(C#CC1CC1)N1C[C@H]2CC[N@H+](Cc3cc(Cl)cc4c3OCC4)C[C@H]21 ZINC001084334158 996463471 /nfs/dbraw/zinc/46/34/71/996463471.db2.gz QZUGJPXLRRLDAW-VQIMIIECSA-N 1 2 370.880 2.721 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC=C(Cl)Cl)C[C@H]21 ZINC001084354098 996480366 /nfs/dbraw/zinc/48/03/66/996480366.db2.gz OPLWGSPIQRMUHX-TUVASFSCSA-N 1 2 359.297 2.819 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC=C(Cl)Cl)C[C@H]21 ZINC001084354098 996480369 /nfs/dbraw/zinc/48/03/69/996480369.db2.gz OPLWGSPIQRMUHX-TUVASFSCSA-N 1 2 359.297 2.819 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)c3ccccc3)C[C@H]21 ZINC001084574310 996685985 /nfs/dbraw/zinc/68/59/85/996685985.db2.gz ZXRVGEBMCFSCAO-IEBWSBKVSA-N 1 2 369.509 2.784 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)c3ccccc3)C[C@H]21 ZINC001084574310 996685987 /nfs/dbraw/zinc/68/59/87/996685987.db2.gz ZXRVGEBMCFSCAO-IEBWSBKVSA-N 1 2 369.509 2.784 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccc(C)cc3)C[C@H]21 ZINC001084578151 996692848 /nfs/dbraw/zinc/69/28/48/996692848.db2.gz MMUBQFUVLCJBLM-SJLPKXTDSA-N 1 2 355.482 2.678 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccc(C)cc3)C[C@H]21 ZINC001084578151 996692851 /nfs/dbraw/zinc/69/28/51/996692851.db2.gz MMUBQFUVLCJBLM-SJLPKXTDSA-N 1 2 355.482 2.678 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C(C)(C)C)nn3C)[C@@H]2C1 ZINC001084631197 996737727 /nfs/dbraw/zinc/73/77/27/996737727.db2.gz HWZGMGYGTKSKBG-UKRRQHHQSA-N 1 2 350.894 2.616 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C(C)(C)C)nn3C)[C@@H]2C1 ZINC001084631197 996737730 /nfs/dbraw/zinc/73/77/30/996737730.db2.gz HWZGMGYGTKSKBG-UKRRQHHQSA-N 1 2 350.894 2.616 20 30 FFEDLO CCCNc1ccc(C#N)cc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)OCC)C1 ZINC001136838989 996844576 /nfs/dbraw/zinc/84/45/76/996844576.db2.gz VHPOTKKWBHCTCY-INIZCTEOSA-N 1 2 372.469 2.594 20 30 FFEDLO CCCNc1ccc(C#N)cc1NC(=O)C[N@H+]1CCC[C@H](C(=O)OCC)C1 ZINC001136838989 996844593 /nfs/dbraw/zinc/84/45/93/996844593.db2.gz VHPOTKKWBHCTCY-INIZCTEOSA-N 1 2 372.469 2.594 20 30 FFEDLO COc1cc(C(C)=NNc2cc[nH+]c3ccccc23)ccc1S(C)(=O)=O ZINC000730147600 996895609 /nfs/dbraw/zinc/89/56/09/996895609.db2.gz GFNPLBCKGNWYDA-UHFFFAOYSA-N 1 2 369.446 2.905 20 30 FFEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(OCC(=O)N(C)C)cc1 ZINC000730148576 996895719 /nfs/dbraw/zinc/89/57/19/996895719.db2.gz XNJPWXSFSCAIFL-UHFFFAOYSA-N 1 2 362.433 2.960 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2csc(-c3ccc(OC)cc3)n2)CC1 ZINC001136862129 996901803 /nfs/dbraw/zinc/90/18/03/996901803.db2.gz YLOXYVZZERYLMP-UHFFFAOYSA-N 1 2 355.463 2.600 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2csc(-c3ccc(OC)cc3)n2)CC1 ZINC001136862129 996901815 /nfs/dbraw/zinc/90/18/15/996901815.db2.gz YLOXYVZZERYLMP-UHFFFAOYSA-N 1 2 355.463 2.600 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3noc4ccc(F)cc34)[C@@H]2C1 ZINC001084715208 997051100 /nfs/dbraw/zinc/05/11/00/997051100.db2.gz UGWBZQKILTUHTN-MLGOLLRUSA-N 1 2 363.820 2.795 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3noc4ccc(F)cc34)[C@@H]2C1 ZINC001084715208 997051114 /nfs/dbraw/zinc/05/11/14/997051114.db2.gz UGWBZQKILTUHTN-MLGOLLRUSA-N 1 2 363.820 2.795 20 30 FFEDLO CC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)CCOCC1 ZINC001084722883 997062335 /nfs/dbraw/zinc/06/23/35/997062335.db2.gz IOTODCDQQBDKHT-VQIMIIECSA-N 1 2 371.456 2.547 20 30 FFEDLO CC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)CCOCC1 ZINC001084722883 997062347 /nfs/dbraw/zinc/06/23/47/997062347.db2.gz IOTODCDQQBDKHT-VQIMIIECSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4ccco4)[C@@H]3C2)c(F)c1 ZINC001084733733 997129810 /nfs/dbraw/zinc/12/98/10/997129810.db2.gz CZJJZJNTLFXZIS-VQIMIIECSA-N 1 2 353.397 2.566 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4ccco4)[C@@H]3C2)c(F)c1 ZINC001084733733 997129814 /nfs/dbraw/zinc/12/98/14/997129814.db2.gz CZJJZJNTLFXZIS-VQIMIIECSA-N 1 2 353.397 2.566 20 30 FFEDLO Cc1cccn2c(CN3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)c[nH+]c12 ZINC001136959299 997143672 /nfs/dbraw/zinc/14/36/72/997143672.db2.gz BGCYBSRSWZBPDG-OAHLLOKOSA-N 1 2 355.442 2.588 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3OCCc4ccccc43)[C@@H]2C1 ZINC001084785959 997342393 /nfs/dbraw/zinc/34/23/93/997342393.db2.gz NJDFUJZGKUGFKK-BHIYHBOVSA-N 1 2 360.885 2.976 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3OCCc4ccccc43)[C@@H]2C1 ZINC001084785959 997342422 /nfs/dbraw/zinc/34/24/22/997342422.db2.gz NJDFUJZGKUGFKK-BHIYHBOVSA-N 1 2 360.885 2.976 20 30 FFEDLO Cc1nc(CC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)cs1 ZINC001084817520 997521610 /nfs/dbraw/zinc/52/16/10/997521610.db2.gz FYXRKUUULBAYEV-IEBWSBKVSA-N 1 2 366.490 2.599 20 30 FFEDLO Cc1nc(CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)cs1 ZINC001084817520 997521621 /nfs/dbraw/zinc/52/16/21/997521621.db2.gz FYXRKUUULBAYEV-IEBWSBKVSA-N 1 2 366.490 2.599 20 30 FFEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001206096015 1032140841 /nfs/dbraw/zinc/14/08/41/1032140841.db2.gz KSDFWDCKEWJXRH-HZSPNIEDSA-N 1 2 364.515 2.726 20 30 FFEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001206096015 1032140846 /nfs/dbraw/zinc/14/08/46/1032140846.db2.gz KSDFWDCKEWJXRH-HZSPNIEDSA-N 1 2 364.515 2.726 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC001084862210 997710137 /nfs/dbraw/zinc/71/01/37/997710137.db2.gz ZJFBIVJIIUOBJJ-UKRRQHHQSA-N 1 2 361.833 2.748 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC001084862210 997710144 /nfs/dbraw/zinc/71/01/44/997710144.db2.gz ZJFBIVJIIUOBJJ-UKRRQHHQSA-N 1 2 361.833 2.748 20 30 FFEDLO COc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)cc1F ZINC000844303681 997784721 /nfs/dbraw/zinc/78/47/21/997784721.db2.gz AEIYYAHJIHPPSF-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO CC(C)N(C(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000844367398 997843543 /nfs/dbraw/zinc/84/35/43/997843543.db2.gz UKESJVGSYNJPRH-HXUWFJFHSA-N 1 2 351.450 2.965 20 30 FFEDLO CC(C)N(C(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000844367398 997843554 /nfs/dbraw/zinc/84/35/54/997843554.db2.gz UKESJVGSYNJPRH-HXUWFJFHSA-N 1 2 351.450 2.965 20 30 FFEDLO O=C(c1ccon1)N1CC[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC001084897863 997929952 /nfs/dbraw/zinc/92/99/52/997929952.db2.gz QYAATKNIRFRIBB-APWZRJJASA-N 1 2 369.852 2.916 20 30 FFEDLO O=C(c1ccon1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC001084897863 997929963 /nfs/dbraw/zinc/92/99/63/997929963.db2.gz QYAATKNIRFRIBB-APWZRJJASA-N 1 2 369.852 2.916 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](C)[C@H](Nc2[nH+]c(C)nc(-n3cccn3)c2C)C1 ZINC001090958704 997954769 /nfs/dbraw/zinc/95/47/69/997954769.db2.gz VMQVOVGPCQOJMA-CZUORRHYSA-N 1 2 354.458 2.504 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001090987052 998015504 /nfs/dbraw/zinc/01/55/04/998015504.db2.gz OAUGWDKFQHVYPS-HBUWYVDXSA-N 1 2 358.486 2.514 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000732061520 998434342 /nfs/dbraw/zinc/43/43/42/998434342.db2.gz NBRJCRUKDAATLZ-IBGZPJMESA-N 1 2 353.466 2.785 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000732061520 998434346 /nfs/dbraw/zinc/43/43/46/998434346.db2.gz NBRJCRUKDAATLZ-IBGZPJMESA-N 1 2 353.466 2.785 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001085005351 998638229 /nfs/dbraw/zinc/63/82/29/998638229.db2.gz RKMRUNVZIVGFKX-AEFFLSMTSA-N 1 2 359.518 2.632 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001085005351 998638231 /nfs/dbraw/zinc/63/82/31/998638231.db2.gz RKMRUNVZIVGFKX-AEFFLSMTSA-N 1 2 359.518 2.632 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(C(C)(C)C)nn3)[C@H]2C1 ZINC001085006440 998659138 /nfs/dbraw/zinc/65/91/38/998659138.db2.gz XWVRDGLNFGPEFS-WBVHZDCISA-N 1 2 359.518 2.668 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cn(C(C)(C)C)nn3)[C@H]2C1 ZINC001085006440 998659141 /nfs/dbraw/zinc/65/91/41/998659141.db2.gz XWVRDGLNFGPEFS-WBVHZDCISA-N 1 2 359.518 2.668 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3csc(COC)n3)[C@H]2C1 ZINC001085006468 998659200 /nfs/dbraw/zinc/65/92/00/998659200.db2.gz ZZJJWTNCSOXYDW-ZBFHGGJFSA-N 1 2 363.527 2.925 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3csc(COC)n3)[C@H]2C1 ZINC001085006468 998659203 /nfs/dbraw/zinc/65/92/03/998659203.db2.gz ZZJJWTNCSOXYDW-ZBFHGGJFSA-N 1 2 363.527 2.925 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001085024168 998701270 /nfs/dbraw/zinc/70/12/70/998701270.db2.gz ZUQZADSXDOJFFZ-IIMJZQEZSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001085024168 998701274 /nfs/dbraw/zinc/70/12/74/998701274.db2.gz ZUQZADSXDOJFFZ-IIMJZQEZSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3nc(C)oc3C)C[C@@H]21 ZINC001085062043 998812550 /nfs/dbraw/zinc/81/25/50/998812550.db2.gz KZNWXIDMJVRCSD-KGLIPLIRSA-N 1 2 368.275 2.736 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3nc(C)oc3C)C[C@@H]21 ZINC001085062043 998812551 /nfs/dbraw/zinc/81/25/51/998812551.db2.gz KZNWXIDMJVRCSD-KGLIPLIRSA-N 1 2 368.275 2.736 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C/C(Cl)=C/Cl)[C@H]3C2)nc1 ZINC001085078314 998863723 /nfs/dbraw/zinc/86/37/23/998863723.db2.gz MUVFTXNVAZHPMI-IGRMAVJHSA-N 1 2 364.276 2.918 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C/C(Cl)=C/Cl)[C@H]3C2)nc1 ZINC001085078314 998863727 /nfs/dbraw/zinc/86/37/27/998863727.db2.gz MUVFTXNVAZHPMI-IGRMAVJHSA-N 1 2 364.276 2.918 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3ncccn3)[C@H]2C1)c1ccccc1 ZINC001085099156 998940050 /nfs/dbraw/zinc/94/00/50/998940050.db2.gz GQBBZFZEIZNFMB-AABGKKOBSA-N 1 2 362.477 2.869 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncccn3)[C@H]2C1)c1ccccc1 ZINC001085099156 998940059 /nfs/dbraw/zinc/94/00/59/998940059.db2.gz GQBBZFZEIZNFMB-AABGKKOBSA-N 1 2 362.477 2.869 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C)no3)[C@H]2C1)c1ccccc1 ZINC001085099283 998941670 /nfs/dbraw/zinc/94/16/70/998941670.db2.gz LMPUSIHMAHAXGG-QYZOEREBSA-N 1 2 366.465 2.771 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C)no3)[C@H]2C1)c1ccccc1 ZINC001085099283 998941675 /nfs/dbraw/zinc/94/16/75/998941675.db2.gz LMPUSIHMAHAXGG-QYZOEREBSA-N 1 2 366.465 2.771 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cnc3ccc(C)cn13)CCC2 ZINC001137306493 1016268911 /nfs/dbraw/zinc/26/89/11/1016268911.db2.gz WHTMBBTVNUAGDG-UHFFFAOYSA-N 1 2 351.454 2.948 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cnc3ccc(C)cn13)CCC2 ZINC001137306493 1016268915 /nfs/dbraw/zinc/26/89/15/1016268915.db2.gz WHTMBBTVNUAGDG-UHFFFAOYSA-N 1 2 351.454 2.948 20 30 FFEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719389 999613907 /nfs/dbraw/zinc/61/39/07/999613907.db2.gz SNZZKBHCQVJGPO-SJBKTWHCSA-N 1 2 352.478 2.530 20 30 FFEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719389 999613911 /nfs/dbraw/zinc/61/39/11/999613911.db2.gz SNZZKBHCQVJGPO-SJBKTWHCSA-N 1 2 352.478 2.530 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1nsc2ccccc12 ZINC001085827445 999643873 /nfs/dbraw/zinc/64/38/73/999643873.db2.gz SCPDJMAFCRJJEJ-LESCRADOSA-N 1 2 371.506 2.920 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1nsc2ccccc12 ZINC001085827445 999643876 /nfs/dbraw/zinc/64/38/76/999643876.db2.gz SCPDJMAFCRJJEJ-LESCRADOSA-N 1 2 371.506 2.920 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC001085823839 999644503 /nfs/dbraw/zinc/64/45/03/999644503.db2.gz SLTLUTBJMSSHOZ-KURKYZTESA-N 1 2 350.409 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(F)cc(F)c1 ZINC001085823839 999644507 /nfs/dbraw/zinc/64/45/07/999644507.db2.gz SLTLUTBJMSSHOZ-KURKYZTESA-N 1 2 350.409 2.589 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1conc1CC ZINC001085862777 999659116 /nfs/dbraw/zinc/65/91/16/999659116.db2.gz IITNNVVSSAHPQP-LNLFQRSKSA-N 1 2 361.486 2.641 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1conc1CC ZINC001085862777 999659118 /nfs/dbraw/zinc/65/91/18/999659118.db2.gz IITNNVVSSAHPQP-LNLFQRSKSA-N 1 2 361.486 2.641 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001085866406 999660305 /nfs/dbraw/zinc/66/03/05/999660305.db2.gz HOMYPJFYWWNCRA-CEXWTWQISA-N 1 2 353.466 2.646 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001085866406 999660307 /nfs/dbraw/zinc/66/03/07/999660307.db2.gz HOMYPJFYWWNCRA-CEXWTWQISA-N 1 2 353.466 2.646 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC001085869329 999666724 /nfs/dbraw/zinc/66/67/24/999666724.db2.gz NTJPTHSZVQOQQJ-QYZOEREBSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(F)cc(F)c1 ZINC001085869329 999666727 /nfs/dbraw/zinc/66/67/27/999666727.db2.gz NTJPTHSZVQOQQJ-QYZOEREBSA-N 1 2 364.436 2.979 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC000741146599 999711689 /nfs/dbraw/zinc/71/16/89/999711689.db2.gz NEKYWYBBBBBEAS-GOSISDBHSA-N 1 2 357.454 2.578 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC000741146599 999711690 /nfs/dbraw/zinc/71/16/90/999711690.db2.gz NEKYWYBBBBBEAS-GOSISDBHSA-N 1 2 357.454 2.578 20 30 FFEDLO Cc1cc(C(N)=[NH+]OCC(=O)N[C@H](C)Cc2ccccc2C)ccc1F ZINC000742354754 999769251 /nfs/dbraw/zinc/76/92/51/999769251.db2.gz SHNAYYJGODGHMK-OAHLLOKOSA-N 1 2 357.429 2.827 20 30 FFEDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000745085164 999891291 /nfs/dbraw/zinc/89/12/91/999891291.db2.gz CVSBUDKCSCQKOB-LJQANCHMSA-N 1 2 371.481 2.968 20 30 FFEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000745085164 999891289 /nfs/dbraw/zinc/89/12/89/999891289.db2.gz CVSBUDKCSCQKOB-LJQANCHMSA-N 1 2 371.481 2.968 20 30 FFEDLO C[C@]1(CNC(=O)[C@@H]2C[C@H]2C2CCC2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108272187 999898273 /nfs/dbraw/zinc/89/82/73/999898273.db2.gz AKSGADPNXDLQFV-VWPQPMDRSA-N 1 2 367.493 2.702 20 30 FFEDLO C[C@]1(CNC(=O)[C@@H]2C[C@H]2C2CCC2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108272187 999898274 /nfs/dbraw/zinc/89/82/74/999898274.db2.gz AKSGADPNXDLQFV-VWPQPMDRSA-N 1 2 367.493 2.702 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CCCCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC001049982613 1016372363 /nfs/dbraw/zinc/37/23/63/1016372363.db2.gz XDVYPLITYMFETP-KZNAEPCWSA-N 1 2 364.453 2.663 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CCCCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC001049982613 1016372370 /nfs/dbraw/zinc/37/23/70/1016372370.db2.gz XDVYPLITYMFETP-KZNAEPCWSA-N 1 2 364.453 2.663 20 30 FFEDLO C[S@@](=O)CC[NH+]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000746475276 999996804 /nfs/dbraw/zinc/99/68/04/999996804.db2.gz QNDDAEPOLKGPPS-AREMUKBSSA-N 1 2 367.518 2.721 20 30 FFEDLO CC[C@H](C)[C@H](Nc1cc(/C=N/[S@](=O)C(C)(C)C)cc(C)[nH+]1)C(N)=O ZINC001169159569 1000028644 /nfs/dbraw/zinc/02/86/44/1000028644.db2.gz RKJXBZKBGQLRAA-DCUIMDMYSA-N 1 2 352.504 2.583 20 30 FFEDLO CCOC(=O)[C@H](CS)[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169274262 1000036404 /nfs/dbraw/zinc/03/64/04/1000036404.db2.gz DLEADHJHAAQXPF-GPANFISMSA-N 1 2 351.468 2.606 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCc2ccc(C#N)cc2OC)cc1OC ZINC000766741261 1000056357 /nfs/dbraw/zinc/05/63/57/1000056357.db2.gz GXCRIFQKGQSDRS-UHFFFAOYSA-N 1 2 355.394 2.825 20 30 FFEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NC[C@@H]2COC(C)(C)O2)[nH+]1 ZINC001169908699 1000085413 /nfs/dbraw/zinc/08/54/13/1000085413.db2.gz INVICNCVNOSHMB-HBOQDNGNSA-N 1 2 353.488 2.835 20 30 FFEDLO COC(=O)C=Cc1ccc(OCCO[NH+]=C(N)c2ccc(F)cc2)cc1 ZINC000767072204 1000098590 /nfs/dbraw/zinc/09/85/90/1000098590.db2.gz IQBUGBFIBPFTQR-WCIBSUBMSA-N 1 2 358.369 2.728 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1coc(-c2cccc(F)c2)n1 ZINC001109088850 1000166221 /nfs/dbraw/zinc/16/62/21/1000166221.db2.gz SWGAASKUSZUBIP-QTXLCTLRSA-N 1 2 368.412 2.862 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1coc(-c2cccc(F)c2)n1 ZINC001109088850 1000166222 /nfs/dbraw/zinc/16/62/22/1000166222.db2.gz SWGAASKUSZUBIP-QTXLCTLRSA-N 1 2 368.412 2.862 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H](C)CC)C3)c1 ZINC001109205371 1000185845 /nfs/dbraw/zinc/18/58/45/1000185845.db2.gz BKIRULGUDFFWPX-LDTOTXGLSA-N 1 2 367.493 2.764 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H](C)CC)C3)c1 ZINC001109205371 1000185849 /nfs/dbraw/zinc/18/58/49/1000185849.db2.gz BKIRULGUDFFWPX-LDTOTXGLSA-N 1 2 367.493 2.764 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)/C=C(/C)CC)C3)c1 ZINC001109244891 1000199247 /nfs/dbraw/zinc/19/92/47/1000199247.db2.gz BDVQARGUSZNPJG-ZSBIXUTDSA-N 1 2 365.477 2.684 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)/C=C(/C)CC)C3)c1 ZINC001109244891 1000199248 /nfs/dbraw/zinc/19/92/48/1000199248.db2.gz BDVQARGUSZNPJG-ZSBIXUTDSA-N 1 2 365.477 2.684 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1)C(C)C ZINC001109265593 1000207436 /nfs/dbraw/zinc/20/74/36/1000207436.db2.gz CPEGUZAUBKCILF-GTAWCEEGSA-N 1 2 373.472 2.980 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1)C(C)C ZINC001109265593 1000207442 /nfs/dbraw/zinc/20/74/42/1000207442.db2.gz CPEGUZAUBKCILF-GTAWCEEGSA-N 1 2 373.472 2.980 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nsc2ccccc12 ZINC001109267437 1000208941 /nfs/dbraw/zinc/20/89/41/1000208941.db2.gz PEJIVOUBIQYWEY-KPEUIFRASA-N 1 2 369.490 2.556 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nsc2ccccc12 ZINC001109267437 1000208944 /nfs/dbraw/zinc/20/89/44/1000208944.db2.gz PEJIVOUBIQYWEY-KPEUIFRASA-N 1 2 369.490 2.556 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1c(F)cccc1F ZINC001109263012 1000220178 /nfs/dbraw/zinc/22/01/78/1000220178.db2.gz XVEDSIBHOGCOSB-DACLVMHWSA-N 1 2 362.420 2.787 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1c(F)cccc1F ZINC001109263012 1000220185 /nfs/dbraw/zinc/22/01/85/1000220185.db2.gz XVEDSIBHOGCOSB-DACLVMHWSA-N 1 2 362.420 2.787 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1c(F)cccc1F ZINC001109263015 1000220787 /nfs/dbraw/zinc/22/07/87/1000220787.db2.gz XVEDSIBHOGCOSB-KNCCTNLNSA-N 1 2 362.420 2.787 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1c(F)cccc1F ZINC001109263015 1000220792 /nfs/dbraw/zinc/22/07/92/1000220792.db2.gz XVEDSIBHOGCOSB-KNCCTNLNSA-N 1 2 362.420 2.787 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)CCC ZINC001109328473 1000293658 /nfs/dbraw/zinc/29/36/58/1000293658.db2.gz OQHFYMOMYVBWOC-YSHGAJCASA-N 1 2 361.530 2.781 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)CCC ZINC001109328473 1000293664 /nfs/dbraw/zinc/29/36/64/1000293664.db2.gz OQHFYMOMYVBWOC-YSHGAJCASA-N 1 2 361.530 2.781 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1)OCC ZINC001109357417 1000303071 /nfs/dbraw/zinc/30/30/71/1000303071.db2.gz GSHPVVJVIDDZIV-YDZRNGNQSA-N 1 2 361.461 2.814 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1)OCC ZINC001109357417 1000303074 /nfs/dbraw/zinc/30/30/74/1000303074.db2.gz GSHPVVJVIDDZIV-YDZRNGNQSA-N 1 2 361.461 2.814 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C3CCC3)cc1)C2 ZINC001109380833 1000342450 /nfs/dbraw/zinc/34/24/50/1000342450.db2.gz SIOCCJXCMMZAIL-AABGKKOBSA-N 1 2 367.493 2.591 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C3CCC3)cc1)C2 ZINC001109380833 1000342455 /nfs/dbraw/zinc/34/24/55/1000342455.db2.gz SIOCCJXCMMZAIL-AABGKKOBSA-N 1 2 367.493 2.591 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2CCCC[C@H]2Nc2[nH+]cnc3c2cnn3C)CCC1 ZINC001091295472 1000379941 /nfs/dbraw/zinc/37/99/41/1000379941.db2.gz WSSXSXVZXBFDNH-HZPDHXFCSA-N 1 2 368.485 2.949 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](CNc2ncnc3c2C[N@H+](C)CC3)[C@H](C)C1 ZINC001054551146 1016409877 /nfs/dbraw/zinc/40/98/77/1016409877.db2.gz PQOYHLLOPBUJHH-WHSLLNHNSA-N 1 2 371.529 2.573 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](CNc2ncnc3c2C[N@@H+](C)CC3)[C@H](C)C1 ZINC001054551146 1016409885 /nfs/dbraw/zinc/40/98/85/1016409885.db2.gz PQOYHLLOPBUJHH-WHSLLNHNSA-N 1 2 371.529 2.573 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)nn1 ZINC000846917403 1000476837 /nfs/dbraw/zinc/47/68/37/1000476837.db2.gz AZSRARFFUMZADK-WBVHZDCISA-N 1 2 361.490 2.686 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)nn1 ZINC000846917403 1000476843 /nfs/dbraw/zinc/47/68/43/1000476843.db2.gz AZSRARFFUMZADK-WBVHZDCISA-N 1 2 361.490 2.686 20 30 FFEDLO COCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)CCC1 ZINC001109534847 1000616816 /nfs/dbraw/zinc/61/68/16/1000616816.db2.gz VDPZXGAJWPTFLY-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO COCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)CCC1 ZINC001109534847 1000616821 /nfs/dbraw/zinc/61/68/21/1000616821.db2.gz VDPZXGAJWPTFLY-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1c(C(=O)OCC)sc2nc(C)cc(C)c21 ZINC000769975267 1000644819 /nfs/dbraw/zinc/64/48/19/1000644819.db2.gz BWJLWMHZQBPSJG-ZDUSSCGKSA-N 1 2 373.478 2.982 20 30 FFEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1c(C(=O)OCC)sc2nc(C)cc(C)c21 ZINC000769975267 1000644822 /nfs/dbraw/zinc/64/48/22/1000644822.db2.gz BWJLWMHZQBPSJG-ZDUSSCGKSA-N 1 2 373.478 2.982 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccnc1OC ZINC001109563295 1000647915 /nfs/dbraw/zinc/64/79/15/1000647915.db2.gz PHBBWWZFYWNOTQ-OEMYIYORSA-N 1 2 373.497 2.541 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccnc1OC ZINC001109563295 1000647916 /nfs/dbraw/zinc/64/79/16/1000647916.db2.gz PHBBWWZFYWNOTQ-OEMYIYORSA-N 1 2 373.497 2.541 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001109566401 1000652114 /nfs/dbraw/zinc/65/21/14/1000652114.db2.gz AYJKWISVRRXSOM-JMVFIXPQSA-N 1 2 361.486 2.742 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001109566401 1000652117 /nfs/dbraw/zinc/65/21/17/1000652117.db2.gz AYJKWISVRRXSOM-JMVFIXPQSA-N 1 2 361.486 2.742 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1)C1CCC1 ZINC001109573782 1000662473 /nfs/dbraw/zinc/66/24/73/1000662473.db2.gz OPTKIVCCOACFIX-BTHPGYMESA-N 1 2 371.456 2.734 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1)C1CCC1 ZINC001109573782 1000662478 /nfs/dbraw/zinc/66/24/78/1000662478.db2.gz OPTKIVCCOACFIX-BTHPGYMESA-N 1 2 371.456 2.734 20 30 FFEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1 ZINC001109603340 1000698731 /nfs/dbraw/zinc/69/87/31/1000698731.db2.gz QBNBDQKQSPCMKG-AABGKKOBSA-N 1 2 367.493 2.930 20 30 FFEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1 ZINC001109603340 1000698734 /nfs/dbraw/zinc/69/87/34/1000698734.db2.gz QBNBDQKQSPCMKG-AABGKKOBSA-N 1 2 367.493 2.930 20 30 FFEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(CC)CC ZINC001109606942 1000717498 /nfs/dbraw/zinc/71/74/98/1000717498.db2.gz KMDJYYRVYAZIST-QYZOEREBSA-N 1 2 361.530 2.596 20 30 FFEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(CC)CC ZINC001109606942 1000717501 /nfs/dbraw/zinc/71/75/01/1000717501.db2.gz KMDJYYRVYAZIST-QYZOEREBSA-N 1 2 361.530 2.596 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC001000695171 1016436319 /nfs/dbraw/zinc/43/63/19/1016436319.db2.gz GTQCCAYWHWQHJV-MSOLQXFVSA-N 1 2 359.470 2.521 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC001000695171 1016436328 /nfs/dbraw/zinc/43/63/28/1016436328.db2.gz GTQCCAYWHWQHJV-MSOLQXFVSA-N 1 2 359.470 2.521 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(O)cc1 ZINC001109634442 1000736226 /nfs/dbraw/zinc/73/62/26/1000736226.db2.gz MUGQVVXWXQVYSJ-JZGRTCEGSA-N 1 2 371.481 2.655 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(O)cc1 ZINC001109634442 1000736232 /nfs/dbraw/zinc/73/62/32/1000736232.db2.gz MUGQVVXWXQVYSJ-JZGRTCEGSA-N 1 2 371.481 2.655 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@H]1CC[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091607081 1000797201 /nfs/dbraw/zinc/79/72/01/1000797201.db2.gz JOFVJWPFWMIKCW-LSDHHAIUSA-N 1 2 360.506 2.545 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001109683478 1000839254 /nfs/dbraw/zinc/83/92/54/1000839254.db2.gz MXPLBICXVIPHLN-MDPIYQRISA-N 1 2 369.509 2.973 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001109683478 1000839265 /nfs/dbraw/zinc/83/92/65/1000839265.db2.gz MXPLBICXVIPHLN-MDPIYQRISA-N 1 2 369.509 2.973 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)c2ccco2)C1 ZINC001109697252 1000855634 /nfs/dbraw/zinc/85/56/34/1000855634.db2.gz XGBBCKDOJJRLOO-NCOADZHNSA-N 1 2 371.481 2.535 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)c2ccco2)C1 ZINC001109697252 1000855640 /nfs/dbraw/zinc/85/56/40/1000855640.db2.gz XGBBCKDOJJRLOO-NCOADZHNSA-N 1 2 371.481 2.535 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3cc(F)ccc3o1)C2 ZINC001109773229 1000982835 /nfs/dbraw/zinc/98/28/35/1000982835.db2.gz LMFGMPWZJALIRV-IKGGRYGDSA-N 1 2 356.397 2.557 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3cc(F)ccc3o1)C2 ZINC001109773229 1000982845 /nfs/dbraw/zinc/98/28/45/1000982845.db2.gz LMFGMPWZJALIRV-IKGGRYGDSA-N 1 2 356.397 2.557 20 30 FFEDLO Cc1nc(NC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@H]2C)ccc1C#N ZINC001054663301 1016461133 /nfs/dbraw/zinc/46/11/33/1016461133.db2.gz DMHZZOHYQZJXAS-IIDMSEBBSA-N 1 2 366.469 2.616 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C(C)(C)C)c1)C2 ZINC001109876234 1001114012 /nfs/dbraw/zinc/11/40/12/1001114012.db2.gz CQPOWTFYABVKKY-QYZOEREBSA-N 1 2 369.509 2.621 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C(C)(C)C)c1)C2 ZINC001109876234 1001114014 /nfs/dbraw/zinc/11/40/14/1001114014.db2.gz CQPOWTFYABVKKY-QYZOEREBSA-N 1 2 369.509 2.621 20 30 FFEDLO C=CCN1CCC2(CC[NH+](Cc3cnc(SC)nc3Cl)CC2)C1=O ZINC001276186893 1016496246 /nfs/dbraw/zinc/49/62/46/1016496246.db2.gz CXABGDGCHFXRHR-UHFFFAOYSA-N 1 2 366.918 2.852 20 30 FFEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cnc(SC)nc1Cl)CC2 ZINC001276187297 1016498377 /nfs/dbraw/zinc/49/83/77/1016498377.db2.gz PXSNDJBVWLFYAL-ZDUSSCGKSA-N 1 2 366.918 2.756 20 30 FFEDLO COc1ccc(CNC(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1C#N ZINC000746733803 1001774314 /nfs/dbraw/zinc/77/43/14/1001774314.db2.gz IZMQMUSTFBZBFU-UHFFFAOYSA-N 1 2 363.421 2.565 20 30 FFEDLO C=CCCOCC(=O)N1C[C@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)C[C@H]2C1 ZINC001091855494 1001998341 /nfs/dbraw/zinc/99/83/41/1001998341.db2.gz CKNOOWXUJLBLFR-MSOLQXFVSA-N 1 2 370.497 2.540 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccnn2[C@H]2CCCCO2)C1=O ZINC001276224303 1016566137 /nfs/dbraw/zinc/56/61/37/1016566137.db2.gz FNNLTHIIHGKZNQ-UYAOXDASSA-N 1 2 358.486 2.725 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccnn2[C@H]2CCCCO2)C1=O ZINC001276224303 1016566144 /nfs/dbraw/zinc/56/61/44/1016566144.db2.gz FNNLTHIIHGKZNQ-UYAOXDASSA-N 1 2 358.486 2.725 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)nc2C)C1 ZINC001086577998 1002152745 /nfs/dbraw/zinc/15/27/45/1002152745.db2.gz PMURKMCEMAFMMZ-ZWKOTPCHSA-N 1 2 358.873 2.679 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)nc2C)C1 ZINC001086577998 1002152751 /nfs/dbraw/zinc/15/27/51/1002152751.db2.gz PMURKMCEMAFMMZ-ZWKOTPCHSA-N 1 2 358.873 2.679 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001057050436 1016587752 /nfs/dbraw/zinc/58/77/52/1016587752.db2.gz HWRGKMDBGXSCNV-LNLFQRSKSA-N 1 2 370.497 2.681 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC001086580903 1002234378 /nfs/dbraw/zinc/23/43/78/1002234378.db2.gz ZMYSJJWXKQYOOE-DLBZAZTESA-N 1 2 358.873 2.977 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC001086580903 1002234382 /nfs/dbraw/zinc/23/43/82/1002234382.db2.gz ZMYSJJWXKQYOOE-DLBZAZTESA-N 1 2 358.873 2.977 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001091977918 1002238330 /nfs/dbraw/zinc/23/83/30/1002238330.db2.gz AGXLQIDCHCTIAP-AHRSYUTCSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001091977918 1002238335 /nfs/dbraw/zinc/23/83/35/1002238335.db2.gz AGXLQIDCHCTIAP-AHRSYUTCSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(CCC)no3)C[C@@]2(C)C1 ZINC001091978483 1002240086 /nfs/dbraw/zinc/24/00/86/1002240086.db2.gz STYHVMMZSRVBJQ-XPGWFJOJSA-N 1 2 360.502 2.905 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3nc(CCC)no3)C[C@@]2(C)C1 ZINC001091978483 1002240094 /nfs/dbraw/zinc/24/00/94/1002240094.db2.gz STYHVMMZSRVBJQ-XPGWFJOJSA-N 1 2 360.502 2.905 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)ccc1C#N ZINC001183378852 1002263325 /nfs/dbraw/zinc/26/33/25/1002263325.db2.gz GPAMPKGIAXBZEZ-UHFFFAOYSA-N 1 2 350.397 2.900 20 30 FFEDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)[C@@H](C#N)Cc2ccc(O)cc2)CC1 ZINC001183613302 1002336195 /nfs/dbraw/zinc/33/61/95/1002336195.db2.gz SPWZSBIWORELNE-QGZVFWFLSA-N 1 2 364.449 2.544 20 30 FFEDLO CC1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)[C@](C)(CO)C1 ZINC001183829580 1002401473 /nfs/dbraw/zinc/40/14/73/1002401473.db2.gz WNYQYSOIBOADBF-UGKGYDQZSA-N 1 2 369.509 2.922 20 30 FFEDLO CC1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)[C@](C)(CO)C1 ZINC001183829580 1002401481 /nfs/dbraw/zinc/40/14/81/1002401481.db2.gz WNYQYSOIBOADBF-UGKGYDQZSA-N 1 2 369.509 2.922 20 30 FFEDLO CC1(C)C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CCO1 ZINC001183838967 1002406732 /nfs/dbraw/zinc/40/67/32/1002406732.db2.gz OXTOVSMUGZXQCB-OALUTQOASA-N 1 2 355.482 2.987 20 30 FFEDLO CC1(C)C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)CCO1 ZINC001183838967 1002406736 /nfs/dbraw/zinc/40/67/36/1002406736.db2.gz OXTOVSMUGZXQCB-OALUTQOASA-N 1 2 355.482 2.987 20 30 FFEDLO N#Cc1ccc(F)c(C[NH+]2CCC3(C[C@@H]3C(=O)NCC(F)F)CC2)c1F ZINC001276251404 1016617651 /nfs/dbraw/zinc/61/76/51/1016617651.db2.gz AALBOFHLGPRGMO-CYBMUJFWSA-N 1 2 369.362 2.820 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001095534722 1016671866 /nfs/dbraw/zinc/67/18/66/1016671866.db2.gz CNOUOHARTJXPCL-PMPSAXMXSA-N 1 2 356.495 2.974 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001095534722 1016671877 /nfs/dbraw/zinc/67/18/77/1016671877.db2.gz CNOUOHARTJXPCL-PMPSAXMXSA-N 1 2 356.495 2.974 20 30 FFEDLO CC(C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001110357403 1002799355 /nfs/dbraw/zinc/79/93/55/1002799355.db2.gz QQKLPAFJZSIFKU-QRVBRYPASA-N 1 2 360.885 2.838 20 30 FFEDLO CC(C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001110357403 1002799364 /nfs/dbraw/zinc/79/93/64/1002799364.db2.gz QQKLPAFJZSIFKU-QRVBRYPASA-N 1 2 360.885 2.838 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=COCCC2)C3)c1 ZINC001096864449 1016703789 /nfs/dbraw/zinc/70/37/89/1016703789.db2.gz LDIJGFQQZLORBU-QRQLOZEOSA-N 1 2 355.413 2.613 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=COCCC2)C3)c1 ZINC001096864449 1016703801 /nfs/dbraw/zinc/70/38/01/1016703801.db2.gz LDIJGFQQZLORBU-QRQLOZEOSA-N 1 2 355.413 2.613 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3nnc(C)o3)C[C@H]2c2ccccc2)C1 ZINC001086607981 1003027476 /nfs/dbraw/zinc/02/74/76/1003027476.db2.gz FXVFGSWSESYVKB-ZWKOTPCHSA-N 1 2 366.465 2.819 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3nnc(C)o3)C[C@H]2c2ccccc2)C1 ZINC001086607981 1003027490 /nfs/dbraw/zinc/02/74/90/1003027490.db2.gz FXVFGSWSESYVKB-ZWKOTPCHSA-N 1 2 366.465 2.819 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(CC)nn(C)c1CC)C2 ZINC001095547946 1016714334 /nfs/dbraw/zinc/71/43/34/1016714334.db2.gz GSPTXHJLICRSIQ-SKDZVZGDSA-N 1 2 364.921 2.561 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(CC)nn(C)c1CC)C2 ZINC001095547946 1016714344 /nfs/dbraw/zinc/71/43/44/1016714344.db2.gz GSPTXHJLICRSIQ-SKDZVZGDSA-N 1 2 364.921 2.561 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@H+](Cc2nc(C)oc2C)CC1 ZINC001001257218 1016724715 /nfs/dbraw/zinc/72/47/15/1016724715.db2.gz SSCYMIRIZAQOPB-HKUYNNGSSA-N 1 2 359.470 2.521 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@@H+](Cc2nc(C)oc2C)CC1 ZINC001001257218 1016724725 /nfs/dbraw/zinc/72/47/25/1016724725.db2.gz SSCYMIRIZAQOPB-HKUYNNGSSA-N 1 2 359.470 2.521 20 30 FFEDLO CCCCCCC[C@H](C)CNC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000793787480 1003494289 /nfs/dbraw/zinc/49/42/89/1003494289.db2.gz BLUQHTAIWIDDJL-IRXDYDNUSA-N 1 2 362.518 2.849 20 30 FFEDLO Cn1c[nH+]cc1C1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC001196081271 1003665702 /nfs/dbraw/zinc/66/57/02/1003665702.db2.gz YPAGXAUJLCDEQK-UHFFFAOYSA-N 1 2 364.858 2.513 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000804454859 1003669758 /nfs/dbraw/zinc/66/97/58/1003669758.db2.gz VKZJARZPEUFGLY-RTWAWAEBSA-N 1 2 356.510 2.874 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1O ZINC001196454244 1003790426 /nfs/dbraw/zinc/79/04/26/1003790426.db2.gz WNSCDDDETQKVPS-HZPDHXFCSA-N 1 2 370.415 2.969 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1O ZINC001196454244 1003790430 /nfs/dbraw/zinc/79/04/30/1003790430.db2.gz WNSCDDDETQKVPS-HZPDHXFCSA-N 1 2 370.415 2.969 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccsn2)C3)c(F)c1 ZINC001095598031 1016826475 /nfs/dbraw/zinc/82/64/75/1016826475.db2.gz LLEMEBUTBLHJSX-COXVUDFISA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccsn2)C3)c(F)c1 ZINC001095598031 1016826488 /nfs/dbraw/zinc/82/64/88/1016826488.db2.gz LLEMEBUTBLHJSX-COXVUDFISA-N 1 2 356.426 2.689 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1C#N ZINC000805796196 1004129557 /nfs/dbraw/zinc/12/95/57/1004129557.db2.gz ACUOSBCWYNIOFO-GUYCJALGSA-N 1 2 373.453 2.832 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1C#N ZINC000805796196 1004129562 /nfs/dbraw/zinc/12/95/62/1004129562.db2.gz ACUOSBCWYNIOFO-GUYCJALGSA-N 1 2 373.453 2.832 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)cc2F)C[C@H]1O ZINC001193241359 1004415622 /nfs/dbraw/zinc/41/56/22/1004415622.db2.gz RTJAVZZAFPUVSZ-UPRAQXHNSA-N 1 2 364.436 2.956 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)cc2F)C[C@H]1O ZINC001193241359 1004415628 /nfs/dbraw/zinc/41/56/28/1004415628.db2.gz RTJAVZZAFPUVSZ-UPRAQXHNSA-N 1 2 364.436 2.956 20 30 FFEDLO CC[C@H](C)CCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001193320189 1004449937 /nfs/dbraw/zinc/44/99/37/1004449937.db2.gz OEEFSFHGFPSUBC-CEWLAPEOSA-N 1 2 356.510 2.806 20 30 FFEDLO CC[C@H](C)CCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001193320189 1004449941 /nfs/dbraw/zinc/44/99/41/1004449941.db2.gz OEEFSFHGFPSUBC-CEWLAPEOSA-N 1 2 356.510 2.806 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@H](CC)c2ccc(F)cc2F)C[C@H]1O ZINC001193370236 1004466985 /nfs/dbraw/zinc/46/69/85/1004466985.db2.gz RTHGHAZLZXBSOX-KZNAEPCWSA-N 1 2 352.425 2.934 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)c2ccc(F)cc2F)C[C@H]1O ZINC001193370236 1004466992 /nfs/dbraw/zinc/46/69/92/1004466992.db2.gz RTHGHAZLZXBSOX-KZNAEPCWSA-N 1 2 352.425 2.934 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)ns1 ZINC001097007746 1016884925 /nfs/dbraw/zinc/88/49/25/1016884925.db2.gz RNJHWPHNUGIRPX-XFJVYGCCSA-N 1 2 358.492 2.920 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)ns1 ZINC001097007746 1016884940 /nfs/dbraw/zinc/88/49/40/1016884940.db2.gz RNJHWPHNUGIRPX-XFJVYGCCSA-N 1 2 358.492 2.920 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000807178449 1004529031 /nfs/dbraw/zinc/52/90/31/1004529031.db2.gz LULUSUFULKACTQ-RBUKOAKNSA-N 1 2 369.852 2.518 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000807178449 1004529037 /nfs/dbraw/zinc/52/90/37/1004529037.db2.gz LULUSUFULKACTQ-RBUKOAKNSA-N 1 2 369.852 2.518 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(c3ccc(F)cc3C#N)CC2)C1 ZINC000808119546 1004753828 /nfs/dbraw/zinc/75/38/28/1004753828.db2.gz DFWBVCUPOSXPGO-KRWDZBQOSA-N 1 2 374.460 2.829 20 30 FFEDLO Cc1cc[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001097024177 1016915155 /nfs/dbraw/zinc/91/51/55/1016915155.db2.gz YHYVBXWLIOTRRB-QRVBRYPASA-N 1 2 351.425 2.849 20 30 FFEDLO Cc1cc[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001097024177 1016915160 /nfs/dbraw/zinc/91/51/60/1016915160.db2.gz YHYVBXWLIOTRRB-QRVBRYPASA-N 1 2 351.425 2.849 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)C[C@H]1O ZINC001195300947 1004935938 /nfs/dbraw/zinc/93/59/38/1004935938.db2.gz AKURODMXUQDLBC-RTBURBONSA-N 1 2 362.901 2.893 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)C[C@H]1O ZINC001195300947 1004935941 /nfs/dbraw/zinc/93/59/41/1004935941.db2.gz AKURODMXUQDLBC-RTBURBONSA-N 1 2 362.901 2.893 20 30 FFEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(Cl)cc2c1OCC2 ZINC001110539379 1004998897 /nfs/dbraw/zinc/99/88/97/1004998897.db2.gz QNJRZSPDUGGEKR-QRVBRYPASA-N 1 2 370.880 2.910 20 30 FFEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(Cl)cc2c1OCC2 ZINC001110539379 1004998903 /nfs/dbraw/zinc/99/89/03/1004998903.db2.gz QNJRZSPDUGGEKR-QRVBRYPASA-N 1 2 370.880 2.910 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110543563 1005045440 /nfs/dbraw/zinc/04/54/40/1005045440.db2.gz XYSAEEAPBRRMDJ-QRVBRYPASA-N 1 2 365.477 2.838 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110543563 1005045443 /nfs/dbraw/zinc/04/54/43/1005045443.db2.gz XYSAEEAPBRRMDJ-QRVBRYPASA-N 1 2 365.477 2.838 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccns1 ZINC001050249182 1016934432 /nfs/dbraw/zinc/93/44/32/1016934432.db2.gz OLMKWSXVJMZMSB-MOPGFXCFSA-N 1 2 371.506 2.982 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccns1 ZINC001050249182 1016934446 /nfs/dbraw/zinc/93/44/46/1016934446.db2.gz OLMKWSXVJMZMSB-MOPGFXCFSA-N 1 2 371.506 2.982 20 30 FFEDLO CCc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001095671133 1016958983 /nfs/dbraw/zinc/95/89/83/1016958983.db2.gz BFJIDXPSFRLEHS-CCKFTAQKSA-N 1 2 367.428 2.518 20 30 FFEDLO CCc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001095671133 1016958992 /nfs/dbraw/zinc/95/89/92/1016958992.db2.gz BFJIDXPSFRLEHS-CCKFTAQKSA-N 1 2 367.428 2.518 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1c1ccccc1 ZINC001488888776 1005371202 /nfs/dbraw/zinc/37/12/02/1005371202.db2.gz FVOMMTZUCKKUSV-RBUKOAKNSA-N 1 2 367.497 2.502 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1c1ccccc1 ZINC001488888776 1005371204 /nfs/dbraw/zinc/37/12/04/1005371204.db2.gz FVOMMTZUCKKUSV-RBUKOAKNSA-N 1 2 367.497 2.502 20 30 FFEDLO C=CCCC(=O)NCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001055082417 1016967116 /nfs/dbraw/zinc/96/71/16/1016967116.db2.gz LQOPHIRFCSWLGV-QZTJIDSGSA-N 1 2 366.465 2.624 20 30 FFEDLO C=CCCC(=O)NCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001055082417 1016967129 /nfs/dbraw/zinc/96/71/29/1016967129.db2.gz LQOPHIRFCSWLGV-QZTJIDSGSA-N 1 2 366.465 2.624 20 30 FFEDLO C#CCCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3coc(C)n3)[C@@H]2C)cc1 ZINC001489264513 1005443757 /nfs/dbraw/zinc/44/37/57/1005443757.db2.gz MBHMYJAFDDXEAK-QRWLVFNGSA-N 1 2 367.449 2.778 20 30 FFEDLO C#CCCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3coc(C)n3)[C@@H]2C)cc1 ZINC001489264513 1005443758 /nfs/dbraw/zinc/44/37/58/1005443758.db2.gz MBHMYJAFDDXEAK-QRWLVFNGSA-N 1 2 367.449 2.778 20 30 FFEDLO CCOc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)co1 ZINC001095691244 1016999261 /nfs/dbraw/zinc/99/92/61/1016999261.db2.gz UCJOGFVJPKAJSU-WPGHFRTFSA-N 1 2 372.450 2.542 20 30 FFEDLO CCOc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)co1 ZINC001095691244 1016999268 /nfs/dbraw/zinc/99/92/68/1016999268.db2.gz UCJOGFVJPKAJSU-WPGHFRTFSA-N 1 2 372.450 2.542 20 30 FFEDLO CCCN1C(=O)CC[C@@H](C(=O)O[C@@H](C)CC(C)(C)C#N)[C@@H]1c1c[nH+]cn1C ZINC000851204151 1005867598 /nfs/dbraw/zinc/86/75/98/1005867598.db2.gz KUDJEZYXZPDROU-HDMKZQKVSA-N 1 2 374.485 2.981 20 30 FFEDLO C#CCN(C(=O)C[C@@H]1C[C@H]1C1CC1)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110630070 1005873634 /nfs/dbraw/zinc/87/36/34/1005873634.db2.gz JVWBUBOIXUJVTA-HKUYNNGSSA-N 1 2 352.482 2.652 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)Nc2ccc(Cl)nc2)CC1 ZINC000851726592 1005909348 /nfs/dbraw/zinc/90/93/48/1005909348.db2.gz UDCSYDQXDOVHCY-UHFFFAOYSA-N 1 2 369.856 2.757 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@H+](CC(=O)Nc2ccc(Cl)nc2)CC1 ZINC000851726592 1005909350 /nfs/dbraw/zinc/90/93/50/1005909350.db2.gz UDCSYDQXDOVHCY-UHFFFAOYSA-N 1 2 369.856 2.757 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000776595795 1006039093 /nfs/dbraw/zinc/03/90/93/1006039093.db2.gz ASEMAHZGLSKWGT-MOPGFXCFSA-N 1 2 353.378 2.573 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000776595795 1006039103 /nfs/dbraw/zinc/03/91/03/1006039103.db2.gz ASEMAHZGLSKWGT-MOPGFXCFSA-N 1 2 353.378 2.573 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(c3ccccn3)C[C@H]1C)C2 ZINC001097091063 1017022824 /nfs/dbraw/zinc/02/28/24/1017022824.db2.gz JUNBXTQHTISJCG-FGTAOJJYSA-N 1 2 374.916 2.628 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(c3ccccn3)C[C@H]1C)C2 ZINC001097091063 1017022838 /nfs/dbraw/zinc/02/28/38/1017022838.db2.gz JUNBXTQHTISJCG-FGTAOJJYSA-N 1 2 374.916 2.628 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nc(-c4ccco4)no3)C[C@H]21 ZINC001187714528 1006210854 /nfs/dbraw/zinc/21/08/54/1006210854.db2.gz TWFUQJBZWMDRQR-HRCADAONSA-N 1 2 368.437 2.727 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3nc(-c4ccco4)no3)C[C@H]21 ZINC001187714528 1006210863 /nfs/dbraw/zinc/21/08/63/1006210863.db2.gz TWFUQJBZWMDRQR-HRCADAONSA-N 1 2 368.437 2.727 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000853318885 1006366099 /nfs/dbraw/zinc/36/60/99/1006366099.db2.gz XNLBCARLFIMELE-UHFFFAOYSA-N 1 2 373.478 2.882 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1Cc3ccccc3O1)C2 ZINC001095717017 1017046176 /nfs/dbraw/zinc/04/61/76/1017046176.db2.gz NHWMOJVASXIECE-FCIYXJNOSA-N 1 2 373.456 2.783 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1Cc3ccccc3O1)C2 ZINC001095717017 1017046188 /nfs/dbraw/zinc/04/61/88/1017046188.db2.gz NHWMOJVASXIECE-FCIYXJNOSA-N 1 2 373.456 2.783 20 30 FFEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000853629799 1006485149 /nfs/dbraw/zinc/48/51/49/1006485149.db2.gz LBXCGQIMQLGSLT-SGTLLEGYSA-N 1 2 361.396 2.827 20 30 FFEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000853629799 1006485155 /nfs/dbraw/zinc/48/51/55/1006485155.db2.gz LBXCGQIMQLGSLT-SGTLLEGYSA-N 1 2 361.396 2.827 20 30 FFEDLO Cc1cc(C#N)cnc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000816093025 1006898707 /nfs/dbraw/zinc/89/87/07/1006898707.db2.gz XZXNQGPAPNZSQP-KRWDZBQOSA-N 1 2 366.377 2.601 20 30 FFEDLO Cc1cc(C#N)cnc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000816093025 1006898715 /nfs/dbraw/zinc/89/87/15/1006898715.db2.gz XZXNQGPAPNZSQP-KRWDZBQOSA-N 1 2 366.377 2.601 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000884102715 1007239395 /nfs/dbraw/zinc/23/93/95/1007239395.db2.gz KUDAEGKCXVLBEI-WFASDCNBSA-N 1 2 373.478 2.742 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000884325436 1007374886 /nfs/dbraw/zinc/37/48/86/1007374886.db2.gz QNKBMHMECJIIQX-AWEZNQCLSA-N 1 2 372.387 2.546 20 30 FFEDLO N#Cc1ccccc1OCC(=O)OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817178744 1007457626 /nfs/dbraw/zinc/45/76/26/1007457626.db2.gz IXXXPIQTNSYKJN-UHFFFAOYSA-N 1 2 366.417 2.513 20 30 FFEDLO C=C[C@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3nccn3C)C[C@H]21)c1ccccc1 ZINC001190281831 1007571304 /nfs/dbraw/zinc/57/13/04/1007571304.db2.gz LDDVLEJSKQGNLR-YZGWKJHDSA-N 1 2 364.493 2.813 20 30 FFEDLO C=C[C@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3nccn3C)C[C@H]21)c1ccccc1 ZINC001190281831 1007571312 /nfs/dbraw/zinc/57/13/12/1007571312.db2.gz LDDVLEJSKQGNLR-YZGWKJHDSA-N 1 2 364.493 2.813 20 30 FFEDLO N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)c1 ZINC000776870554 1007667995 /nfs/dbraw/zinc/66/79/95/1007667995.db2.gz RQOHHTSJIAAVHY-UHFFFAOYSA-N 1 2 373.416 2.697 20 30 FFEDLO CC(=O)c1ccc(N2CC[NH+](C[C@@H](O)CC3(C#N)CCC3)CC2)c(F)c1 ZINC000885949253 1007847650 /nfs/dbraw/zinc/84/76/50/1007847650.db2.gz RQEHWFYINPSJML-KRWDZBQOSA-N 1 2 359.445 2.595 20 30 FFEDLO CCOCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)CC1 ZINC001110740141 1008306587 /nfs/dbraw/zinc/30/65/87/1008306587.db2.gz YYTPPCJRRNKYRY-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO CCOCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)CC1 ZINC001110740141 1008306589 /nfs/dbraw/zinc/30/65/89/1008306589.db2.gz YYTPPCJRRNKYRY-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO Cc1[nH]c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1C=O ZINC000858217523 1008327259 /nfs/dbraw/zinc/32/72/59/1008327259.db2.gz ATENOKNWWBNACR-UHFFFAOYSA-N 1 2 364.449 2.664 20 30 FFEDLO Cc1[nH]c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1C=O ZINC000858217523 1008327264 /nfs/dbraw/zinc/32/72/64/1008327264.db2.gz ATENOKNWWBNACR-UHFFFAOYSA-N 1 2 364.449 2.664 20 30 FFEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2OC)CC1)c1ccccc1 ZINC000820605844 1008357069 /nfs/dbraw/zinc/35/70/69/1008357069.db2.gz RDLDABBYIQWJIG-HXUWFJFHSA-N 1 2 363.461 2.897 20 30 FFEDLO C=CCC1(C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)CCOCC1 ZINC000821146397 1008424366 /nfs/dbraw/zinc/42/43/66/1008424366.db2.gz WWPYFXKGWBPGOU-UHFFFAOYSA-N 1 2 359.466 2.935 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CCC2)CCCC1 ZINC001110212402 1008683182 /nfs/dbraw/zinc/68/31/82/1008683182.db2.gz BLYHFSFHCCPHNQ-QYZOEREBSA-N 1 2 373.541 2.761 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CCC2)CCCC1 ZINC001110212402 1008683194 /nfs/dbraw/zinc/68/31/94/1008683194.db2.gz BLYHFSFHCCPHNQ-QYZOEREBSA-N 1 2 373.541 2.761 20 30 FFEDLO COC(=O)c1cc(C#N)cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)c1 ZINC001177622737 1008686133 /nfs/dbraw/zinc/68/61/33/1008686133.db2.gz RBCBGSWGDASKGP-KRWDZBQOSA-N 1 2 353.378 2.541 20 30 FFEDLO COC(=O)c1cc(C#N)cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)c1 ZINC001177622737 1008686138 /nfs/dbraw/zinc/68/61/38/1008686138.db2.gz RBCBGSWGDASKGP-KRWDZBQOSA-N 1 2 353.378 2.541 20 30 FFEDLO C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001179586531 1009369395 /nfs/dbraw/zinc/36/93/95/1009369395.db2.gz ZRFQJZCPRRWZCY-KRWDZBQOSA-N 1 2 368.437 2.787 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001093033462 1009700651 /nfs/dbraw/zinc/70/06/51/1009700651.db2.gz XOLQLTJWPWUCDS-DCXXXQMHSA-N 1 2 372.513 2.802 20 30 FFEDLO COC(=O)c1ccc(OC)c(C[NH+]2CCN(c3cccc(C#N)c3)CC2)c1 ZINC001137250169 1009802224 /nfs/dbraw/zinc/80/22/24/1009802224.db2.gz RULWJNFHPZEJJW-UHFFFAOYSA-N 1 2 365.433 2.676 20 30 FFEDLO N#Cc1cc(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)c[nH]1 ZINC001181359624 1010081236 /nfs/dbraw/zinc/08/12/36/1010081236.db2.gz DYKQKFAZMHMVDH-UHFFFAOYSA-N 1 2 353.813 2.757 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)[C@H]1CCCCO1 ZINC001095319859 1010121233 /nfs/dbraw/zinc/12/12/33/1010121233.db2.gz YIVWZGKGGLAWGR-FUMNGEBKSA-N 1 2 372.896 2.982 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)[C@H]1CCCCO1 ZINC001095319859 1010121239 /nfs/dbraw/zinc/12/12/39/1010121239.db2.gz YIVWZGKGGLAWGR-FUMNGEBKSA-N 1 2 372.896 2.982 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000794582855 1010378279 /nfs/dbraw/zinc/37/82/79/1010378279.db2.gz GKQSPYBXXVNADH-RHSMWYFYSA-N 1 2 358.405 2.784 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000794582855 1010378286 /nfs/dbraw/zinc/37/82/86/1010378286.db2.gz GKQSPYBXXVNADH-RHSMWYFYSA-N 1 2 358.405 2.784 20 30 FFEDLO C[N@H+](CC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc21)[C@H]1CCSC1 ZINC000773979022 1010399038 /nfs/dbraw/zinc/39/90/38/1010399038.db2.gz DYKIVRZAZXPMOF-DOTOQJQBSA-N 1 2 367.474 2.924 20 30 FFEDLO C[N@@H+](CC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc21)[C@H]1CCSC1 ZINC000773979022 1010399048 /nfs/dbraw/zinc/39/90/48/1010399048.db2.gz DYKIVRZAZXPMOF-DOTOQJQBSA-N 1 2 367.474 2.924 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nnc(CC(C)C)o2)C[C@H]1C ZINC001206886789 1032481517 /nfs/dbraw/zinc/48/15/17/1032481517.db2.gz IEZYAVYYIOABCQ-IXDOHACOSA-N 1 2 360.502 2.959 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nnc(CC(C)C)o2)C[C@H]1C ZINC001206886789 1032481524 /nfs/dbraw/zinc/48/15/24/1032481524.db2.gz IEZYAVYYIOABCQ-IXDOHACOSA-N 1 2 360.502 2.959 20 30 FFEDLO N#CCOc1ccccc1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000890502140 1010432068 /nfs/dbraw/zinc/43/20/68/1010432068.db2.gz MBIQRVKQCFJXFP-UHFFFAOYSA-N 1 2 370.478 2.823 20 30 FFEDLO Cc1c[nH]nc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001095396289 1010445292 /nfs/dbraw/zinc/44/52/92/1010445292.db2.gz QYCTXDWASZBLNG-SQNIBIBYSA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1c[nH]nc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001095396289 1010445299 /nfs/dbraw/zinc/44/52/99/1010445299.db2.gz QYCTXDWASZBLNG-SQNIBIBYSA-N 1 2 368.868 2.758 20 30 FFEDLO C[C@@H](ON=C(N)c1ccc(C[NH+]2CCOCC2)cc1)c1cccc(C#N)c1 ZINC000794720687 1010567520 /nfs/dbraw/zinc/56/75/20/1010567520.db2.gz NELSMAHSEZIOIQ-MRXNPFEDSA-N 1 2 364.449 2.789 20 30 FFEDLO N#CCc1ccsc1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000864858722 1010602583 /nfs/dbraw/zinc/60/25/83/1010602583.db2.gz NQAJMORPHCFIPB-UHFFFAOYSA-N 1 2 372.469 2.505 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2F)C[C@H]1C ZINC001206914462 1032496386 /nfs/dbraw/zinc/49/63/86/1032496386.db2.gz GHIBKMYZRGABBB-XHBKTUGNSA-N 1 2 354.853 2.743 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2F)C[C@H]1C ZINC001206914462 1032496391 /nfs/dbraw/zinc/49/63/91/1032496391.db2.gz GHIBKMYZRGABBB-XHBKTUGNSA-N 1 2 354.853 2.743 20 30 FFEDLO N#C[C@@H](C(=O)C[NH+]1CCC(C2CC2)CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000794894338 1010927697 /nfs/dbraw/zinc/92/76/97/1010927697.db2.gz WZILZOFODLTRPU-INIZCTEOSA-N 1 2 350.422 2.634 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)[C@H]4CC45CCCCC5)C3)C2)cc1C#N ZINC001274359099 1011396442 /nfs/dbraw/zinc/39/64/42/1011396442.db2.gz XZWRNSZGHCUVPJ-GOSISDBHSA-N 1 2 352.482 2.511 20 30 FFEDLO Cc1cc(C)c(CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c[nH+]1 ZINC000868685912 1011420901 /nfs/dbraw/zinc/42/09/01/1011420901.db2.gz CNXJUCBKEJWQTD-UHFFFAOYSA-N 1 2 367.428 2.741 20 30 FFEDLO Cc1ncsc1C[NH+]1CC2(CN(C(=O)CCc3ccccc3C#N)C2)C1 ZINC001274574778 1011517036 /nfs/dbraw/zinc/51/70/36/1011517036.db2.gz GIJBOASZBDYVBE-UHFFFAOYSA-N 1 2 366.490 2.600 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCC(C)(C#N)CC3)C2)cc1 ZINC000869100156 1011610772 /nfs/dbraw/zinc/61/07/72/1011610772.db2.gz DXJNQGHDFDAFNZ-LJQANCHMSA-N 1 2 370.497 2.531 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCC(C)(C#N)CC3)C2)cc1 ZINC000869100156 1011610780 /nfs/dbraw/zinc/61/07/80/1011610780.db2.gz DXJNQGHDFDAFNZ-LJQANCHMSA-N 1 2 370.497 2.531 20 30 FFEDLO COCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(F)cc1C#N ZINC001275039525 1011848800 /nfs/dbraw/zinc/84/88/00/1011848800.db2.gz ZOJZEBWEQCEIQU-FQEVSTJZSA-N 1 2 359.445 2.691 20 30 FFEDLO COCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(F)cc1C#N ZINC001275039525 1011848813 /nfs/dbraw/zinc/84/88/13/1011848813.db2.gz ZOJZEBWEQCEIQU-FQEVSTJZSA-N 1 2 359.445 2.691 20 30 FFEDLO CCCCCCCC[N@@H+]1C[C@]2(F)CN(CC(=O)OC(C)C)C(=O)[C@]2(F)C1 ZINC001275115164 1011957773 /nfs/dbraw/zinc/95/77/73/1011957773.db2.gz UNXUPGBFWBHMMN-RBUKOAKNSA-N 1 2 374.472 2.873 20 30 FFEDLO CCCCCCCC[N@H+]1C[C@]2(F)CN(CC(=O)OC(C)C)C(=O)[C@]2(F)C1 ZINC001275115164 1011957781 /nfs/dbraw/zinc/95/77/81/1011957781.db2.gz UNXUPGBFWBHMMN-RBUKOAKNSA-N 1 2 374.472 2.873 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)cc3c2OCOC3)C1=O ZINC001275118439 1011961782 /nfs/dbraw/zinc/96/17/82/1011961782.db2.gz SPDQFLYNZJVLSH-FQEVSTJZSA-N 1 2 360.429 2.835 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)cc3c2OCOC3)C1=O ZINC001275118439 1011961789 /nfs/dbraw/zinc/96/17/89/1011961789.db2.gz SPDQFLYNZJVLSH-FQEVSTJZSA-N 1 2 360.429 2.835 20 30 FFEDLO CCCCCCC[N@@H+]1C[C@]2(F)CN(Cc3ncccn3)C(=O)[C@]2(F)C1 ZINC001275113849 1011963829 /nfs/dbraw/zinc/96/38/29/1011963829.db2.gz JBDBRGBONNKCBI-ZWKOTPCHSA-N 1 2 352.429 2.521 20 30 FFEDLO CCCCCCC[N@H+]1C[C@]2(F)CN(Cc3ncccn3)C(=O)[C@]2(F)C1 ZINC001275113849 1011963849 /nfs/dbraw/zinc/96/38/49/1011963849.db2.gz JBDBRGBONNKCBI-ZWKOTPCHSA-N 1 2 352.429 2.521 20 30 FFEDLO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001275328726 1012306970 /nfs/dbraw/zinc/30/69/70/1012306970.db2.gz BILJLRVWQDBVJM-JLTOFOAXSA-N 1 2 357.429 2.632 20 30 FFEDLO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001275328726 1012306979 /nfs/dbraw/zinc/30/69/79/1012306979.db2.gz BILJLRVWQDBVJM-JLTOFOAXSA-N 1 2 357.429 2.632 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccncc2)C3)c1 ZINC001095102394 1012422829 /nfs/dbraw/zinc/42/28/29/1012422829.db2.gz QQRMLJFLKIPHPK-NEWSRXKRSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccncc2)C3)c1 ZINC001095102394 1012422840 /nfs/dbraw/zinc/42/28/40/1012422840.db2.gz QQRMLJFLKIPHPK-NEWSRXKRSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccc(C(=O)N2CCC([NH2+]CC(F)(F)c3ccccn3)CC2)cc1 ZINC001173425132 1012576599 /nfs/dbraw/zinc/57/65/99/1012576599.db2.gz ORKFDOJFOSZMNT-UHFFFAOYSA-N 1 2 370.403 2.939 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095164093 1012582706 /nfs/dbraw/zinc/58/27/06/1012582706.db2.gz JAONHNIGXIREAK-NJAFHUGGSA-N 1 2 368.412 2.838 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095164093 1012582717 /nfs/dbraw/zinc/58/27/17/1012582717.db2.gz JAONHNIGXIREAK-NJAFHUGGSA-N 1 2 368.412 2.838 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173600586 1012770305 /nfs/dbraw/zinc/77/03/05/1012770305.db2.gz FRBUOFDEDXCAFZ-RQMAVPSVSA-N 1 2 365.474 2.599 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173600586 1012770306 /nfs/dbraw/zinc/77/03/06/1012770306.db2.gz FRBUOFDEDXCAFZ-RQMAVPSVSA-N 1 2 365.474 2.599 20 30 FFEDLO Cc1[nH]nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)c1C ZINC001095245945 1012781396 /nfs/dbraw/zinc/78/13/96/1012781396.db2.gz VTBZVDNJEHQBAE-NJAFHUGGSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1[nH]nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)c1C ZINC001095245945 1012781415 /nfs/dbraw/zinc/78/14/15/1012781415.db2.gz VTBZVDNJEHQBAE-NJAFHUGGSA-N 1 2 367.428 2.573 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2cc(CC#N)ccn2)CC1 ZINC000871721919 1013043711 /nfs/dbraw/zinc/04/37/11/1013043711.db2.gz FKKQWNISERTNOU-UHFFFAOYSA-N 1 2 365.437 2.506 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cccn3)cc1)C2 ZINC001097222844 1017213167 /nfs/dbraw/zinc/21/31/67/1017213167.db2.gz OVSVSVSMNONTHW-KURKYZTESA-N 1 2 356.857 2.960 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cccn3)cc1)C2 ZINC001097222844 1017213173 /nfs/dbraw/zinc/21/31/73/1017213173.db2.gz OVSVSVSMNONTHW-KURKYZTESA-N 1 2 356.857 2.960 20 30 FFEDLO Cc1cnc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC#Cc4ccccc4)[C@@H]3C2)s1 ZINC001222039902 1032688666 /nfs/dbraw/zinc/68/86/66/1032688666.db2.gz FDHMGSYXNCGDMA-RTBURBONSA-N 1 2 365.502 2.926 20 30 FFEDLO Cc1cnc(C[N@H+]2CC[C@@H]3CN(C(=O)CC#Cc4ccccc4)[C@@H]3C2)s1 ZINC001222039902 1032688675 /nfs/dbraw/zinc/68/86/75/1032688675.db2.gz FDHMGSYXNCGDMA-RTBURBONSA-N 1 2 365.502 2.926 20 30 FFEDLO N#Cc1cnc(N[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c(Cl)c1 ZINC001057773691 1017454756 /nfs/dbraw/zinc/45/47/56/1017454756.db2.gz RNNPMBJWMKJMNZ-MGPQQGTHSA-N 1 2 370.844 2.536 20 30 FFEDLO N#Cc1cnc(N[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c(Cl)c1 ZINC001057773691 1017454764 /nfs/dbraw/zinc/45/47/64/1017454764.db2.gz RNNPMBJWMKJMNZ-MGPQQGTHSA-N 1 2 370.844 2.536 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1Cc3ccccc3O1)C2 ZINC001097477313 1017524058 /nfs/dbraw/zinc/52/40/58/1017524058.db2.gz NHWMOJVASXIECE-XWSHUIEDSA-N 1 2 373.456 2.783 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1Cc3ccccc3O1)C2 ZINC001097477313 1017524063 /nfs/dbraw/zinc/52/40/63/1017524063.db2.gz NHWMOJVASXIECE-XWSHUIEDSA-N 1 2 373.456 2.783 20 30 FFEDLO COCc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)o1 ZINC001097488970 1017535192 /nfs/dbraw/zinc/53/51/92/1017535192.db2.gz GDVAWFPMVFSBAR-JLZZUVOBSA-N 1 2 371.462 2.894 20 30 FFEDLO COCc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)o1 ZINC001097488970 1017535206 /nfs/dbraw/zinc/53/52/06/1017535206.db2.gz GDVAWFPMVFSBAR-JLZZUVOBSA-N 1 2 371.462 2.894 20 30 FFEDLO Cc1ccc(C#N)c(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc4c[nH+]ccc4[nH]2)C3)n1 ZINC001055471318 1017570467 /nfs/dbraw/zinc/57/04/67/1017570467.db2.gz REFAHLCRNFKCSR-SUMDDJOVSA-N 1 2 372.432 2.678 20 30 FFEDLO CC[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cccc(C#N)c1O ZINC000924985079 1017572835 /nfs/dbraw/zinc/57/28/35/1017572835.db2.gz GGAVBYUBYFXLIA-GOSISDBHSA-N 1 2 374.462 2.787 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)nc1-c1ccoc1)C2 ZINC001097576388 1017652370 /nfs/dbraw/zinc/65/23/70/1017652370.db2.gz QEDALDJGFPSTMN-BMFZPTHFSA-N 1 2 360.845 2.768 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)nc1-c1ccoc1)C2 ZINC001097576388 1017652378 /nfs/dbraw/zinc/65/23/78/1017652378.db2.gz QEDALDJGFPSTMN-BMFZPTHFSA-N 1 2 360.845 2.768 20 30 FFEDLO C=C[C@H](C)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000680390239 1017962856 /nfs/dbraw/zinc/96/28/56/1017962856.db2.gz ZAKJHHVZOBAWAY-NSHDSACASA-N 1 2 351.248 2.821 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cccc(F)n2)C1 ZINC001052750049 1018081982 /nfs/dbraw/zinc/08/19/82/1018081982.db2.gz BMBNTPWAQJXBCO-SXGZJXTBSA-N 1 2 371.460 2.963 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2nccc(C)n2)C1 ZINC001052750696 1018082116 /nfs/dbraw/zinc/08/21/16/1018082116.db2.gz ZQZFJPVJWQNVBL-QINHECLXSA-N 1 2 368.485 2.527 20 30 FFEDLO C[C@H]1C[NH+](C2CN(Cc3ccc(C#N)cc3Br)C2)C[C@H](C)O1 ZINC001137639674 1032742942 /nfs/dbraw/zinc/74/29/42/1032742942.db2.gz GEIRCIRTBFXOPH-STQMWFEESA-N 1 2 364.287 2.614 20 30 FFEDLO CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cccc(C#N)c1O ZINC000926519751 1018146016 /nfs/dbraw/zinc/14/60/16/1018146016.db2.gz QGXPZBPTIIGRBF-SFHVURJKSA-N 1 2 373.478 2.755 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1F ZINC001097879590 1018149579 /nfs/dbraw/zinc/14/95/79/1018149579.db2.gz XCGWRUTZXZRHIS-LIEJCIORSA-N 1 2 362.420 2.777 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1F ZINC001097879590 1018149586 /nfs/dbraw/zinc/14/95/86/1018149586.db2.gz XCGWRUTZXZRHIS-LIEJCIORSA-N 1 2 362.420 2.777 20 30 FFEDLO C=CCOc1ccccc1C(=O)NC[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001053236925 1018219532 /nfs/dbraw/zinc/21/95/32/1018219532.db2.gz XQWBCUYDVGGDSW-NVXWUHKLSA-N 1 2 366.465 2.852 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)C(C)C)C2 ZINC001110918236 1018263977 /nfs/dbraw/zinc/26/39/77/1018263977.db2.gz LYRXKCHQKPDXHC-VXNCWWDNSA-N 1 2 359.445 2.782 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)C(C)C)C2 ZINC001110918236 1018263981 /nfs/dbraw/zinc/26/39/81/1018263981.db2.gz LYRXKCHQKPDXHC-VXNCWWDNSA-N 1 2 359.445 2.782 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@@H+](CCOc3ccccc3Cl)C[C@@H]21 ZINC001217492791 1032755167 /nfs/dbraw/zinc/75/51/67/1032755167.db2.gz AWZPZQGKHZBXLQ-FUHWJXTLSA-N 1 2 364.873 2.597 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@H+](CCOc3ccccc3Cl)C[C@@H]21 ZINC001217492791 1032755181 /nfs/dbraw/zinc/75/51/81/1032755181.db2.gz AWZPZQGKHZBXLQ-FUHWJXTLSA-N 1 2 364.873 2.597 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)C2 ZINC001097896348 1018344297 /nfs/dbraw/zinc/34/42/97/1018344297.db2.gz LATPUZBRWGRJKD-YHINDDMVSA-N 1 2 372.472 2.978 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)C2 ZINC001097896348 1018344311 /nfs/dbraw/zinc/34/43/11/1018344311.db2.gz LATPUZBRWGRJKD-YHINDDMVSA-N 1 2 372.472 2.978 20 30 FFEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CCNc1cccc(F)c1C#N ZINC001053547761 1018360611 /nfs/dbraw/zinc/36/06/11/1018360611.db2.gz KINNMPCLDRKIEK-HUUCEWRRSA-N 1 2 369.444 2.950 20 30 FFEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CCNc1cccc(F)c1C#N ZINC001053547761 1018360613 /nfs/dbraw/zinc/36/06/13/1018360613.db2.gz KINNMPCLDRKIEK-HUUCEWRRSA-N 1 2 369.444 2.950 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCO[C@H]1c1ccccc1)O2 ZINC001053677862 1018414852 /nfs/dbraw/zinc/41/48/52/1018414852.db2.gz CIBUHTMWBMLTDK-AQNXPRMDSA-N 1 2 370.493 2.690 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001110936425 1018714693 /nfs/dbraw/zinc/71/46/93/1018714693.db2.gz NBIPVJCGSKKQSR-AFYVEPGGSA-N 1 2 369.509 2.973 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001110936425 1018714700 /nfs/dbraw/zinc/71/47/00/1018714700.db2.gz NBIPVJCGSKKQSR-AFYVEPGGSA-N 1 2 369.509 2.973 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001067803851 1019139510 /nfs/dbraw/zinc/13/95/10/1019139510.db2.gz QZLHUCCHIBOJBO-LNLFQRSKSA-N 1 2 358.486 2.584 20 30 FFEDLO C#CC[N@@H+](CC(=O)N(C)Cc1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000796633311 1019273139 /nfs/dbraw/zinc/27/31/39/1019273139.db2.gz RUXKEYLMSBEGNX-UHFFFAOYSA-N 1 2 366.461 2.798 20 30 FFEDLO C#CC[N@H+](CC(=O)N(C)Cc1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000796633311 1019273162 /nfs/dbraw/zinc/27/31/62/1019273162.db2.gz RUXKEYLMSBEGNX-UHFFFAOYSA-N 1 2 366.461 2.798 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnnn1-c1ccccc1 ZINC001110967112 1019386926 /nfs/dbraw/zinc/38/69/26/1019386926.db2.gz SJEFCQDVNVZUKS-RLLQIKCJSA-N 1 2 365.481 2.845 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnnn1-c1ccccc1 ZINC001110967112 1019386941 /nfs/dbraw/zinc/38/69/41/1019386941.db2.gz SJEFCQDVNVZUKS-RLLQIKCJSA-N 1 2 365.481 2.845 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@]34CCO[C@H]3CCCC4)CC2)cc1 ZINC000929362672 1019389487 /nfs/dbraw/zinc/38/94/87/1019389487.db2.gz IJSOPRIVHIUXIE-PZJWPPBQSA-N 1 2 353.466 2.552 20 30 FFEDLO C#CCCCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(C(C)C)n3)C[C@@H]21 ZINC001217668856 1032828390 /nfs/dbraw/zinc/82/83/90/1032828390.db2.gz BHESXSPVKGSSMF-LEWJYISDSA-N 1 2 369.509 2.810 20 30 FFEDLO C#CCCCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(C(C)C)n3)C[C@@H]21 ZINC001217668856 1032828398 /nfs/dbraw/zinc/82/83/98/1032828398.db2.gz BHESXSPVKGSSMF-LEWJYISDSA-N 1 2 369.509 2.810 20 30 FFEDLO CC#CCCCC(=O)N1CCC(CC)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001069546515 1019495747 /nfs/dbraw/zinc/49/57/47/1019495747.db2.gz UMLHEULLLSLZGJ-IAGOWNOFSA-N 1 2 370.497 2.594 20 30 FFEDLO CC#CCCCC(=O)N1CCC(CC)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001069546515 1019495755 /nfs/dbraw/zinc/49/57/55/1019495755.db2.gz UMLHEULLLSLZGJ-IAGOWNOFSA-N 1 2 370.497 2.594 20 30 FFEDLO C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cccc(F)c2C#N)C1)n1cc[nH+]c1 ZINC001043543647 1019496859 /nfs/dbraw/zinc/49/68/59/1019496859.db2.gz QHPXHRBXSPSFNY-HBUWYVDXSA-N 1 2 355.417 2.804 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001069795277 1019603362 /nfs/dbraw/zinc/60/33/62/1019603362.db2.gz HBDPVWFSSVIFON-BACDZXNISA-N 1 2 358.486 2.901 20 30 FFEDLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CCCOC1 ZINC001096252247 1019623026 /nfs/dbraw/zinc/62/30/26/1019623026.db2.gz PYVWIYGBOOCUTQ-XODKDNOYSA-N 1 2 353.466 2.596 20 30 FFEDLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CCCOC1 ZINC001096252247 1019623029 /nfs/dbraw/zinc/62/30/29/1019623029.db2.gz PYVWIYGBOOCUTQ-XODKDNOYSA-N 1 2 353.466 2.596 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2=CCOCC2)C3)c1 ZINC001095968216 1019642302 /nfs/dbraw/zinc/64/23/02/1019642302.db2.gz NPSZSRPEBGWWFH-HOJAQTOUSA-N 1 2 369.440 2.656 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2=CCOCC2)C3)c1 ZINC001095968216 1019642311 /nfs/dbraw/zinc/64/23/11/1019642311.db2.gz NPSZSRPEBGWWFH-HOJAQTOUSA-N 1 2 369.440 2.656 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnc(OC)nc2C)CC1 ZINC001095970849 1019655241 /nfs/dbraw/zinc/65/52/41/1019655241.db2.gz UKCIOBMYNCSUFA-QYZOEREBSA-N 1 2 370.497 2.762 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnc(OC)nc2C)CC1 ZINC001095970849 1019655250 /nfs/dbraw/zinc/65/52/50/1019655250.db2.gz UKCIOBMYNCSUFA-QYZOEREBSA-N 1 2 370.497 2.762 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CCCCCC2)C1 ZINC001095984375 1019689815 /nfs/dbraw/zinc/68/98/15/1019689815.db2.gz JGXLZWMZEWYFBW-QYZOEREBSA-N 1 2 373.541 2.903 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CCCCCC2)C1 ZINC001095984375 1019689823 /nfs/dbraw/zinc/68/98/23/1019689823.db2.gz JGXLZWMZEWYFBW-QYZOEREBSA-N 1 2 373.541 2.903 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(F)cc(F)c2)c1 ZINC001095987984 1019698265 /nfs/dbraw/zinc/69/82/65/1019698265.db2.gz POBILCXLEKIXGC-AABGKKOBSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(F)cc(F)c2)c1 ZINC001095987984 1019698270 /nfs/dbraw/zinc/69/82/70/1019698270.db2.gz POBILCXLEKIXGC-AABGKKOBSA-N 1 2 367.399 2.876 20 30 FFEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc3ccccc3s2)[C@@H](n2ccnn2)C1 ZINC001069971719 1019699585 /nfs/dbraw/zinc/69/95/85/1019699585.db2.gz DOSUJNGEFYEKAR-CVEARBPZSA-N 1 2 367.478 2.724 20 30 FFEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc3ccccc3s2)[C@@H](n2ccnn2)C1 ZINC001069971719 1019699596 /nfs/dbraw/zinc/69/95/96/1019699596.db2.gz DOSUJNGEFYEKAR-CVEARBPZSA-N 1 2 367.478 2.724 20 30 FFEDLO Cc1cnoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096271963 1019761732 /nfs/dbraw/zinc/76/17/32/1019761732.db2.gz IKISCQICQPQXBZ-PVAVHDDUSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1cnoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096271963 1019761749 /nfs/dbraw/zinc/76/17/49/1019761749.db2.gz IKISCQICQPQXBZ-PVAVHDDUSA-N 1 2 354.385 2.529 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CCCCC2)CC1 ZINC001110982117 1019878840 /nfs/dbraw/zinc/87/88/40/1019878840.db2.gz JDHYWIVRSBRKJD-QRVBRYPASA-N 1 2 373.541 2.903 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CCCCC2)CC1 ZINC001110982117 1019878855 /nfs/dbraw/zinc/87/88/55/1019878855.db2.gz JDHYWIVRSBRKJD-QRVBRYPASA-N 1 2 373.541 2.903 20 30 FFEDLO C=CC[C@@]1(C(=O)O[C@H]2CC[N@H+](CCF)C2)CCCN1C(=O)OC(C)(C)C ZINC000802236723 1019919028 /nfs/dbraw/zinc/91/90/28/1019919028.db2.gz QLBVGOISCJIFFC-KXBFYZLASA-N 1 2 370.465 2.919 20 30 FFEDLO C=CC[C@@]1(C(=O)O[C@H]2CC[N@@H+](CCF)C2)CCCN1C(=O)OC(C)(C)C ZINC000802236723 1019919034 /nfs/dbraw/zinc/91/90/34/1019919034.db2.gz QLBVGOISCJIFFC-KXBFYZLASA-N 1 2 370.465 2.919 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nn(CCC)c1C)C2 ZINC001096298591 1019959328 /nfs/dbraw/zinc/95/93/28/1019959328.db2.gz BCXZXGWGMNSVEE-PMPSAXMXSA-N 1 2 350.894 2.998 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nn(CCC)c1C)C2 ZINC001096298591 1019959338 /nfs/dbraw/zinc/95/93/38/1019959338.db2.gz BCXZXGWGMNSVEE-PMPSAXMXSA-N 1 2 350.894 2.998 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)C(C)C)CCC1 ZINC001110986905 1019997768 /nfs/dbraw/zinc/99/77/68/1019997768.db2.gz ACRWDQYVXHZVBV-MLHJIOFPSA-N 1 2 361.530 2.615 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)C(C)C)CCC1 ZINC001110986905 1019997776 /nfs/dbraw/zinc/99/77/76/1019997776.db2.gz ACRWDQYVXHZVBV-MLHJIOFPSA-N 1 2 361.530 2.615 20 30 FFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ncccc1C#N ZINC001048376340 1020181369 /nfs/dbraw/zinc/18/13/69/1020181369.db2.gz PDZMAVQOJHSNGX-RKVPGOIHSA-N 1 2 366.469 2.594 20 30 FFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ncccc1C#N ZINC001048376340 1020181376 /nfs/dbraw/zinc/18/13/76/1020181376.db2.gz PDZMAVQOJHSNGX-RKVPGOIHSA-N 1 2 366.469 2.594 20 30 FFEDLO CC(C)c1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)[nH]n1 ZINC001096047017 1020194749 /nfs/dbraw/zinc/19/47/49/1020194749.db2.gz USNIYLLARMZJCV-KPFFTGBYSA-N 1 2 363.465 2.940 20 30 FFEDLO CC(C)c1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)[nH]n1 ZINC001096047017 1020194753 /nfs/dbraw/zinc/19/47/53/1020194753.db2.gz USNIYLLARMZJCV-KPFFTGBYSA-N 1 2 363.465 2.940 20 30 FFEDLO CC(C)(C)OC(=O)N1CC(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000800365768 1020255316 /nfs/dbraw/zinc/25/53/16/1020255316.db2.gz OLVSRIKHJFYCFX-SFHVURJKSA-N 1 2 357.454 2.798 20 30 FFEDLO CC(C)(C)OC(=O)N1CC(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000800365768 1020255320 /nfs/dbraw/zinc/25/53/20/1020255320.db2.gz OLVSRIKHJFYCFX-SFHVURJKSA-N 1 2 357.454 2.798 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC001048621075 1020371322 /nfs/dbraw/zinc/37/13/22/1020371322.db2.gz UACOMYCWPRGOTF-DLBZAZTESA-N 1 2 366.469 2.896 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(OC)cc(OC)c1)C2 ZINC001096419493 1020475288 /nfs/dbraw/zinc/47/52/88/1020475288.db2.gz OHRXFGGTQFNVMB-COXVUDFISA-N 1 2 350.846 2.791 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(OC)cc(OC)c1)C2 ZINC001096419493 1020475291 /nfs/dbraw/zinc/47/52/91/1020475291.db2.gz OHRXFGGTQFNVMB-COXVUDFISA-N 1 2 350.846 2.791 20 30 FFEDLO N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CC[C@@H]3c3ccccc3)C2=O)cc1 ZINC000726587002 1020490181 /nfs/dbraw/zinc/49/01/81/1020490181.db2.gz ULFFQJSWOFXEEV-LJQANCHMSA-N 1 2 360.417 2.727 20 30 FFEDLO N#Cc1ccc(CN2C(=O)CN(C[N@H+]3CC[C@@H]3c3ccccc3)C2=O)cc1 ZINC000726587002 1020490185 /nfs/dbraw/zinc/49/01/85/1020490185.db2.gz ULFFQJSWOFXEEV-LJQANCHMSA-N 1 2 360.417 2.727 20 30 FFEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCC[C@H]2Nc2ncccc2C#N)c[nH+]1 ZINC001046157777 1020508729 /nfs/dbraw/zinc/50/87/29/1020508729.db2.gz YRVVKTLTGVNQEL-IAGOWNOFSA-N 1 2 366.469 2.733 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001490914429 1020571416 /nfs/dbraw/zinc/57/14/16/1020571416.db2.gz NOUSXPQSCFKGJI-PXNSSMCTSA-N 1 2 358.486 2.517 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccns1 ZINC001096436980 1020587104 /nfs/dbraw/zinc/58/71/04/1020587104.db2.gz SUNUBADNPXPSRR-NEWSRXKRSA-N 1 2 351.475 2.589 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccns1 ZINC001096436980 1020587106 /nfs/dbraw/zinc/58/71/06/1020587106.db2.gz SUNUBADNPXPSRR-NEWSRXKRSA-N 1 2 351.475 2.589 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)o1 ZINC001074015781 1020623815 /nfs/dbraw/zinc/62/38/15/1020623815.db2.gz OOWBCDXFKMTFNT-KURKYZTESA-N 1 2 361.486 2.777 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)o1 ZINC001074015781 1020623821 /nfs/dbraw/zinc/62/38/21/1020623821.db2.gz OOWBCDXFKMTFNT-KURKYZTESA-N 1 2 361.486 2.777 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OC)c(OC)c1)C2 ZINC001096472021 1020744795 /nfs/dbraw/zinc/74/47/95/1020744795.db2.gz LUUQMBPZMXTYFV-ILXRZTDVSA-N 1 2 350.846 2.791 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OC)c(OC)c1)C2 ZINC001096472021 1020744799 /nfs/dbraw/zinc/74/47/99/1020744799.db2.gz LUUQMBPZMXTYFV-ILXRZTDVSA-N 1 2 350.846 2.791 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)c1cccnc1 ZINC001098236018 1020753972 /nfs/dbraw/zinc/75/39/72/1020753972.db2.gz ZEEOOSHWJKOVRA-NOOVBMIQSA-N 1 2 360.461 2.978 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)c1cccnc1 ZINC001098236018 1020753988 /nfs/dbraw/zinc/75/39/88/1020753988.db2.gz ZEEOOSHWJKOVRA-NOOVBMIQSA-N 1 2 360.461 2.978 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)c1cc(Cl)no1 ZINC001098258351 1020771330 /nfs/dbraw/zinc/77/13/30/1020771330.db2.gz ZWHVXXZQUMOGAH-OAGGEKHMSA-N 1 2 373.815 2.854 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)c1cc(Cl)no1 ZINC001098258351 1020771335 /nfs/dbraw/zinc/77/13/35/1020771335.db2.gz ZWHVXXZQUMOGAH-OAGGEKHMSA-N 1 2 373.815 2.854 20 30 FFEDLO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000932695950 1020875164 /nfs/dbraw/zinc/87/51/64/1020875164.db2.gz QSAXDDNIDJSAHW-LJQANCHMSA-N 1 2 363.433 2.549 20 30 FFEDLO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000932695950 1020875167 /nfs/dbraw/zinc/87/51/67/1020875167.db2.gz QSAXDDNIDJSAHW-LJQANCHMSA-N 1 2 363.433 2.549 20 30 FFEDLO C=CCn1ncc2ccc(NC(=O)N3CCN(c4cccc[nH+]4)CC3)cc21 ZINC000933065027 1020947782 /nfs/dbraw/zinc/94/77/82/1020947782.db2.gz AJAURSAUZWOPAX-UHFFFAOYSA-N 1 2 362.437 2.971 20 30 FFEDLO C=CCn1ncc2ccc(NC(=O)N3CC[C@H](c4[nH+]ccn4C)C3)cc21 ZINC000933075275 1020951883 /nfs/dbraw/zinc/95/18/83/1020951883.db2.gz WZMWDLKQXPZCCF-HNNXBMFYSA-N 1 2 350.426 2.977 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1c(C)nn(C)c1C)C2 ZINC001098505061 1020973617 /nfs/dbraw/zinc/97/36/17/1020973617.db2.gz MLZRWEAIRMJMOM-SRMUXQRQSA-N 1 2 350.894 2.614 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1c(C)nn(C)c1C)C2 ZINC001098505061 1020973622 /nfs/dbraw/zinc/97/36/22/1020973622.db2.gz MLZRWEAIRMJMOM-SRMUXQRQSA-N 1 2 350.894 2.614 20 30 FFEDLO CC(C)(C)OC(=O)N1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](C#N)C1 ZINC000749648683 1021017175 /nfs/dbraw/zinc/01/71/75/1021017175.db2.gz FDUHLWVGUFVENL-GOSISDBHSA-N 1 2 367.453 2.817 20 30 FFEDLO COc1ccc(OC)c([C@@H](O)C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 ZINC000933625445 1021052072 /nfs/dbraw/zinc/05/20/72/1021052072.db2.gz SRHMWGPZAOBBLU-PZJWPPBQSA-N 1 2 368.433 2.682 20 30 FFEDLO COc1ccc(OC)c([C@@H](O)C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 ZINC000933625445 1021052075 /nfs/dbraw/zinc/05/20/75/1021052075.db2.gz SRHMWGPZAOBBLU-PZJWPPBQSA-N 1 2 368.433 2.682 20 30 FFEDLO O=C(N[C@]12CCC[C@H]1C[N@@H+](CC#Cc1ccccc1Cl)C2)c1cn[nH]c1 ZINC001098741920 1021100650 /nfs/dbraw/zinc/10/06/50/1021100650.db2.gz XCSPDKOZZHITMN-PXNSSMCTSA-N 1 2 368.868 2.699 20 30 FFEDLO O=C(N[C@]12CCC[C@H]1C[N@H+](CC#Cc1ccccc1Cl)C2)c1cn[nH]c1 ZINC001098741920 1021100652 /nfs/dbraw/zinc/10/06/52/1021100652.db2.gz XCSPDKOZZHITMN-PXNSSMCTSA-N 1 2 368.868 2.699 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cscn2)C1 ZINC001098750885 1021108388 /nfs/dbraw/zinc/10/83/88/1021108388.db2.gz FAAKUWTZZMNYNY-KXBFYZLASA-N 1 2 370.453 2.938 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cscn2)C1 ZINC001098750885 1021108389 /nfs/dbraw/zinc/10/83/89/1021108389.db2.gz FAAKUWTZZMNYNY-KXBFYZLASA-N 1 2 370.453 2.938 20 30 FFEDLO O=C(N[C@]12CCC[C@H]1C[N@@H+](CC#Cc1ccccc1Cl)C2)c1cocn1 ZINC001098759578 1021117035 /nfs/dbraw/zinc/11/70/35/1021117035.db2.gz KMOKKXLIIVYQLJ-JXFKEZNVSA-N 1 2 369.852 2.964 20 30 FFEDLO O=C(N[C@]12CCC[C@H]1C[N@H+](CC#Cc1ccccc1Cl)C2)c1cocn1 ZINC001098759578 1021117038 /nfs/dbraw/zinc/11/70/38/1021117038.db2.gz KMOKKXLIIVYQLJ-JXFKEZNVSA-N 1 2 369.852 2.964 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CC4)n3C3CC3)[C@H]2C1 ZINC001222432391 1032968443 /nfs/dbraw/zinc/96/84/43/1032968443.db2.gz MMQZAUFPMPJSSY-QAPCUYQASA-N 1 2 369.513 2.879 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C3CC3)[C@H]2C1 ZINC001222432391 1032968451 /nfs/dbraw/zinc/96/84/51/1032968451.db2.gz MMQZAUFPMPJSSY-QAPCUYQASA-N 1 2 369.513 2.879 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](Cc2ccc(F)nc2)Cc2nnn(CC3CC3)c21 ZINC001137738033 1032976057 /nfs/dbraw/zinc/97/60/57/1032976057.db2.gz JBFBAXAROGPTJD-INIZCTEOSA-N 1 2 357.433 2.524 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](Cc2ccc(F)nc2)Cc2nnn(CC3CC3)c21 ZINC001137738033 1032976060 /nfs/dbraw/zinc/97/60/60/1032976060.db2.gz JBFBAXAROGPTJD-INIZCTEOSA-N 1 2 357.433 2.524 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1cccc(OCC#N)c1 ZINC001116764295 1021402873 /nfs/dbraw/zinc/40/28/73/1021402873.db2.gz AQCWRFFZYUUUND-UHFFFAOYSA-N 1 2 369.469 2.970 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(OC)o2)C1 ZINC001099093022 1021768167 /nfs/dbraw/zinc/76/81/67/1021768167.db2.gz SGNDFCCEYYAGNI-LRDDRELGSA-N 1 2 369.259 2.781 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(OC)o2)C1 ZINC001099093022 1021768181 /nfs/dbraw/zinc/76/81/81/1021768181.db2.gz SGNDFCCEYYAGNI-LRDDRELGSA-N 1 2 369.259 2.781 20 30 FFEDLO N#Cc1cccc(NC(=O)Nc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001202786786 1022054248 /nfs/dbraw/zinc/05/42/48/1022054248.db2.gz DQLURWLBQLPTTD-UHFFFAOYSA-N 1 2 366.421 2.913 20 30 FFEDLO N#Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)c2ccco2)C[C@H]1C(F)(F)F ZINC001099204196 1022072683 /nfs/dbraw/zinc/07/26/83/1022072683.db2.gz RAMCSNFDIBYIPD-HUUCEWRRSA-N 1 2 363.339 2.944 20 30 FFEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)c1 ZINC000778747483 1022308708 /nfs/dbraw/zinc/30/87/08/1022308708.db2.gz FQTVFBNBBXCUSC-KRWDZBQOSA-N 1 2 361.405 2.878 20 30 FFEDLO C#CCN(Cc1cncc(F)c1)C1CC[NH+](Cc2cncc(F)c2)CC1 ZINC001119319746 1022680733 /nfs/dbraw/zinc/68/07/33/1022680733.db2.gz JVYZUZZBIXFPRG-UHFFFAOYSA-N 1 2 356.420 2.855 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1 ZINC001039923524 1022787253 /nfs/dbraw/zinc/78/72/53/1022787253.db2.gz VSPKIXORXSTWHD-WCIQWLHISA-N 1 2 358.457 2.982 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1 ZINC001039923524 1022787271 /nfs/dbraw/zinc/78/72/71/1022787271.db2.gz VSPKIXORXSTWHD-WCIQWLHISA-N 1 2 358.457 2.982 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@@H]1C ZINC001040252040 1022811793 /nfs/dbraw/zinc/81/17/93/1022811793.db2.gz HUFGHYIUDVRQCR-CZANMRCUSA-N 1 2 370.497 2.656 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2CC[N@H+](Cc3nc4c(o3)CCCC4)[C@H]2C1 ZINC001222656292 1033095521 /nfs/dbraw/zinc/09/55/21/1033095521.db2.gz FDEFQJPVPKOXET-AEFFLSMTSA-N 1 2 355.482 2.636 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc4c(o3)CCCC4)[C@H]2C1 ZINC001222656292 1033095527 /nfs/dbraw/zinc/09/55/27/1033095527.db2.gz FDEFQJPVPKOXET-AEFFLSMTSA-N 1 2 355.482 2.636 20 30 FFEDLO CCOC(=O)CC[C@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000752053070 1023039296 /nfs/dbraw/zinc/03/92/96/1023039296.db2.gz OLUITNRYYLZHDX-VQIMIIECSA-N 1 2 358.438 2.828 20 30 FFEDLO CCOC(=O)CC[C@H]1CCC[N@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000752053070 1023039299 /nfs/dbraw/zinc/03/92/99/1023039299.db2.gz OLUITNRYYLZHDX-VQIMIIECSA-N 1 2 358.438 2.828 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@@H]2C2CCC2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001122396114 1023242084 /nfs/dbraw/zinc/24/20/84/1023242084.db2.gz WYXDIEGMHWBUNE-SQGPQFPESA-N 1 2 359.518 2.535 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@@H]2C2CCC2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001122396114 1023242087 /nfs/dbraw/zinc/24/20/87/1023242087.db2.gz WYXDIEGMHWBUNE-SQGPQFPESA-N 1 2 359.518 2.535 20 30 FFEDLO C=C(C)Cn1c(N2CCCC3(CCCC3)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001122482936 1023296838 /nfs/dbraw/zinc/29/68/38/1023296838.db2.gz PRTXWPLMWVFSES-FXAWDEMLSA-N 1 2 373.545 2.926 20 30 FFEDLO C=C(C)Cn1c(N2CCCC3(CCCC3)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001122482936 1023296847 /nfs/dbraw/zinc/29/68/47/1023296847.db2.gz PRTXWPLMWVFSES-FXAWDEMLSA-N 1 2 373.545 2.926 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001122568289 1023343657 /nfs/dbraw/zinc/34/36/57/1023343657.db2.gz ZKNQPMMQCXUWDZ-SJORKVTESA-N 1 2 361.534 2.683 20 30 FFEDLO CC(C)Cn1c(Nc2ccn(C)n2)nnc1C1CC[NH+](CCC#N)CC1 ZINC001122739601 1023440537 /nfs/dbraw/zinc/44/05/37/1023440537.db2.gz HJHGHBUXMAUTBI-UHFFFAOYSA-N 1 2 356.478 2.504 20 30 FFEDLO C#CCN(C)c1nnc([C@H](C)[N@H+](C)Cc2ccccc2)n1C[C@@H]1CCCO1 ZINC001122872813 1023526416 /nfs/dbraw/zinc/52/64/16/1023526416.db2.gz LTPHJCZTYREGGU-HKUYNNGSSA-N 1 2 367.497 2.720 20 30 FFEDLO C#CCN(C)c1nnc([C@H](C)[N@@H+](C)Cc2ccccc2)n1C[C@@H]1CCCO1 ZINC001122872813 1023526418 /nfs/dbraw/zinc/52/64/18/1023526418.db2.gz LTPHJCZTYREGGU-HKUYNNGSSA-N 1 2 367.497 2.720 20 30 FFEDLO C#C[C@H]1CCCN(c2nnc(Cc3[nH+]ccn3Cc3ccccc3)n2C)C1 ZINC001121357247 1023727662 /nfs/dbraw/zinc/72/76/62/1023727662.db2.gz KKNMMCBWJUUSAK-KRWDZBQOSA-N 1 2 360.465 2.500 20 30 FFEDLO C[N@H+](CCOCc1ccccc1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000756900015 1023765920 /nfs/dbraw/zinc/76/59/20/1023765920.db2.gz RXUSULVZTSCRII-UHFFFAOYSA-N 1 2 362.433 2.569 20 30 FFEDLO C[N@@H+](CCOCc1ccccc1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000756900015 1023765924 /nfs/dbraw/zinc/76/59/24/1023765924.db2.gz RXUSULVZTSCRII-UHFFFAOYSA-N 1 2 362.433 2.569 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](Cc2cccc(OC)c2)C1 ZINC000950346724 1023799141 /nfs/dbraw/zinc/79/91/41/1023799141.db2.gz LZYGAIGJYQMFSQ-UXHICEINSA-N 1 2 358.482 2.709 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@@H](CC)CC1 ZINC001121532733 1023832203 /nfs/dbraw/zinc/83/22/03/1023832203.db2.gz IJGAQJDZUWGENU-QGZVFWFLSA-N 1 2 361.534 2.685 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCO[C@@H](CC)C1 ZINC001121590789 1023867969 /nfs/dbraw/zinc/86/79/69/1023867969.db2.gz QPABLBUOXMYXHF-DLBZAZTESA-N 1 2 358.490 2.911 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001121613037 1023881154 /nfs/dbraw/zinc/88/11/54/1023881154.db2.gz SLXKWSXKHSXVOZ-MSOLQXFVSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001121613037 1023881157 /nfs/dbraw/zinc/88/11/57/1023881157.db2.gz SLXKWSXKHSXVOZ-MSOLQXFVSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC2(C[C@@H]1C)CCOCC2 ZINC001121623178 1023887110 /nfs/dbraw/zinc/88/71/10/1023887110.db2.gz KNMVORNCEBZAIV-KRWDZBQOSA-N 1 2 359.518 2.845 20 30 FFEDLO C=CCn1c(N(C)c2cc(C)cc(C)c2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121709277 1023939442 /nfs/dbraw/zinc/93/94/42/1023939442.db2.gz SECUTDSJVKDUGJ-PXNSSMCTSA-N 1 2 355.486 2.760 20 30 FFEDLO C=CCn1c(N(C)c2cc(C)cc(C)c2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001121709277 1023939447 /nfs/dbraw/zinc/93/94/47/1023939447.db2.gz SECUTDSJVKDUGJ-PXNSSMCTSA-N 1 2 355.486 2.760 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1Cc2ccc(O)cc2C1 ZINC001121712255 1023940935 /nfs/dbraw/zinc/94/09/35/1023940935.db2.gz KNWCYVJIEKQNJN-UHFFFAOYSA-N 1 2 366.469 2.617 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C1CCCC1 ZINC001111332142 1023952776 /nfs/dbraw/zinc/95/27/76/1023952776.db2.gz RMHMXJFZILKXFZ-MXEMCNAFSA-N 1 2 367.493 2.985 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C1CCCC1 ZINC001111332142 1023952787 /nfs/dbraw/zinc/95/27/87/1023952787.db2.gz RMHMXJFZILKXFZ-MXEMCNAFSA-N 1 2 367.493 2.985 20 30 FFEDLO CC[C@@]1(C2CC2)NC(=O)N(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)C1=O ZINC000758210221 1023964914 /nfs/dbraw/zinc/96/49/14/1023964914.db2.gz OFTLDKQMAFVCGK-FQEVSTJZSA-N 1 2 354.454 2.837 20 30 FFEDLO CC[C@@]1(C2CC2)NC(=O)N(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)C1=O ZINC000758210221 1023964926 /nfs/dbraw/zinc/96/49/26/1023964926.db2.gz OFTLDKQMAFVCGK-FQEVSTJZSA-N 1 2 354.454 2.837 20 30 FFEDLO Cc1ccn(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(=O)c1C#N ZINC000758248379 1023994478 /nfs/dbraw/zinc/99/44/78/1023994478.db2.gz MIXWXJXDPIDTDK-ZDUSSCGKSA-N 1 2 365.359 2.538 20 30 FFEDLO Cc1ccn(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(=O)c1C#N ZINC000758248379 1023994488 /nfs/dbraw/zinc/99/44/88/1023994488.db2.gz MIXWXJXDPIDTDK-ZDUSSCGKSA-N 1 2 365.359 2.538 20 30 FFEDLO Cc1cc(Cn2c([C@@H]3CCC[N@@H+]3C)nnc2N(C)[C@H]2CCC[C@@H]2C#N)no1 ZINC001123796973 1024040622 /nfs/dbraw/zinc/04/06/22/1024040622.db2.gz IMOYJQQQEDLYPO-PVAVHDDUSA-N 1 2 369.473 2.518 20 30 FFEDLO Cc1cc(Cn2c([C@@H]3CCC[N@H+]3C)nnc2N(C)[C@H]2CCC[C@@H]2C#N)no1 ZINC001123796973 1024040638 /nfs/dbraw/zinc/04/06/38/1024040638.db2.gz IMOYJQQQEDLYPO-PVAVHDDUSA-N 1 2 369.473 2.518 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)NC(=O)C1CCCC1)C2 ZINC001111512768 1024101433 /nfs/dbraw/zinc/10/14/33/1024101433.db2.gz PDLFMOKPWPVNDW-SVGFKBNWSA-N 1 2 367.921 2.545 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)NC(=O)C1CCCC1)C2 ZINC001111512768 1024101440 /nfs/dbraw/zinc/10/14/40/1024101440.db2.gz PDLFMOKPWPVNDW-SVGFKBNWSA-N 1 2 367.921 2.545 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)c1cnco1 ZINC001095833118 1024203642 /nfs/dbraw/zinc/20/36/42/1024203642.db2.gz TYLKQUCMQNZRDL-IKGGRYGDSA-N 1 2 355.825 2.715 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)c1cnco1 ZINC001095833118 1024203658 /nfs/dbraw/zinc/20/36/58/1024203658.db2.gz TYLKQUCMQNZRDL-IKGGRYGDSA-N 1 2 355.825 2.715 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CCC4)n3C)C[C@@]2(C)C1 ZINC001101253206 1024205196 /nfs/dbraw/zinc/20/51/96/1024205196.db2.gz IWOLBKLKKUGVCR-UTKZUKDTSA-N 1 2 371.529 2.719 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CCC4)n3C)C[C@@]2(C)C1 ZINC001101253206 1024205217 /nfs/dbraw/zinc/20/52/17/1024205217.db2.gz IWOLBKLKKUGVCR-UTKZUKDTSA-N 1 2 371.529 2.719 20 30 FFEDLO C#C[C@H](NC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)C1CCOCC1 ZINC001121987211 1024237496 /nfs/dbraw/zinc/23/74/96/1024237496.db2.gz XRUIFLMCTIELRZ-MSOLQXFVSA-N 1 2 372.513 2.956 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)n3C)C[C@@]2(C)C1 ZINC001101333168 1024476619 /nfs/dbraw/zinc/47/66/19/1024476619.db2.gz KAIGFBANRWBUKR-CEQIKUNHSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)n3C)C[C@@]2(C)C1 ZINC001101333168 1024476621 /nfs/dbraw/zinc/47/66/21/1024476621.db2.gz KAIGFBANRWBUKR-CEQIKUNHSA-N 1 2 371.529 2.575 20 30 FFEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)CC2)cc1 ZINC000951632682 1024629048 /nfs/dbraw/zinc/62/90/48/1024629048.db2.gz QXHRYDDOFQETDN-VQTJNVASSA-N 1 2 353.466 2.669 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N2c3ccccc3C[C@@H]2C)cc1 ZINC000193728553 1024649368 /nfs/dbraw/zinc/64/93/68/1024649368.db2.gz JZUIFQQMDYTCSP-AWEZNQCLSA-N 1 2 353.422 2.504 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCc3c2cccc3F)CC1 ZINC000951700298 1024661840 /nfs/dbraw/zinc/66/18/40/1024661840.db2.gz XSPFAAYFYLJSOG-SXLOBPIMSA-N 1 2 358.457 2.938 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+]([C@H](C)c2cccc(OC)c2)C1 ZINC000951785493 1024704377 /nfs/dbraw/zinc/70/43/77/1024704377.db2.gz QSHQCBQAVHEHLQ-YSGRDPCXSA-N 1 2 358.482 2.880 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2nccn2C(F)F)C[C@H]1CNC(=O)C#CC(C)(C)C ZINC001101954110 1025210139 /nfs/dbraw/zinc/21/01/39/1025210139.db2.gz RQDPRXWOZUTBLY-ZIAGYGMSSA-N 1 2 352.429 2.512 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2nccn2C(F)F)C[C@H]1CNC(=O)C#CC(C)(C)C ZINC001101954110 1025210145 /nfs/dbraw/zinc/21/01/45/1025210145.db2.gz RQDPRXWOZUTBLY-ZIAGYGMSSA-N 1 2 352.429 2.512 20 30 FFEDLO C#CC[N@@H+](CC(=O)NCc1ccccc1Cn1cccn1)Cc1ccccc1 ZINC000796640325 1025372666 /nfs/dbraw/zinc/37/26/66/1025372666.db2.gz XSGOSVCUBHCDKN-UHFFFAOYSA-N 1 2 372.472 2.683 20 30 FFEDLO C#CC[N@H+](CC(=O)NCc1ccccc1Cn1cccn1)Cc1ccccc1 ZINC000796640325 1025372673 /nfs/dbraw/zinc/37/26/73/1025372673.db2.gz XSGOSVCUBHCDKN-UHFFFAOYSA-N 1 2 372.472 2.683 20 30 FFEDLO CC(C)CCCC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218683570 1033282987 /nfs/dbraw/zinc/28/29/87/1033282987.db2.gz XFWHQMKKYZEGFR-LEWJYISDSA-N 1 2 354.494 2.776 20 30 FFEDLO CC(C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218683570 1033282997 /nfs/dbraw/zinc/28/29/97/1033282997.db2.gz XFWHQMKKYZEGFR-LEWJYISDSA-N 1 2 354.494 2.776 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001102410157 1025920741 /nfs/dbraw/zinc/92/07/41/1025920741.db2.gz NKCRHFGUPXQHSA-VXGBXAGGSA-N 1 2 356.417 2.794 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001102410157 1025920753 /nfs/dbraw/zinc/92/07/53/1025920753.db2.gz NKCRHFGUPXQHSA-VXGBXAGGSA-N 1 2 356.417 2.794 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cnc(C(F)(F)F)nc3)C2)CC1 ZINC001141453182 1026335491 /nfs/dbraw/zinc/33/54/91/1026335491.db2.gz OLDLAXJSQKDOGS-UHFFFAOYSA-N 1 2 370.375 2.716 20 30 FFEDLO CC(=O)N1CCC[C@H]([N@H+](C)Cc2cc(C#N)ccc2Br)C1 ZINC001141664574 1026782774 /nfs/dbraw/zinc/78/27/74/1026782774.db2.gz RCBOBYWMHXAJDU-HNNXBMFYSA-N 1 2 350.260 2.763 20 30 FFEDLO CC(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2Br)C1 ZINC001141664574 1026782782 /nfs/dbraw/zinc/78/27/82/1026782782.db2.gz RCBOBYWMHXAJDU-HNNXBMFYSA-N 1 2 350.260 2.763 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)n1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000640923625 1027033906 /nfs/dbraw/zinc/03/39/06/1027033906.db2.gz LYLOTERCFBWNQQ-OAHLLOKOSA-N 1 2 359.449 2.693 20 30 FFEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1OCC[C@H]1C ZINC001158497059 1027045830 /nfs/dbraw/zinc/04/58/30/1027045830.db2.gz PIVHRONZWWZIGX-YUELXQCFSA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1OCC[C@H]1C ZINC001158497059 1027045840 /nfs/dbraw/zinc/04/58/40/1027045840.db2.gz PIVHRONZWWZIGX-YUELXQCFSA-N 1 2 359.308 2.633 20 30 FFEDLO N#Cc1ccc(Br)cc1C[NH+]1CCC2(CCCC(=O)N2)CC1 ZINC001141899853 1027116851 /nfs/dbraw/zinc/11/68/51/1027116851.db2.gz RRXGSXQCVIATIQ-UHFFFAOYSA-N 1 2 362.271 2.955 20 30 FFEDLO COc1ccc(Cn2c[nH+]cc2CNc2ncnc(Cl)c2C#N)cc1 ZINC001161507146 1028206204 /nfs/dbraw/zinc/20/62/04/1028206204.db2.gz JZHXXIXLEDHIJJ-UHFFFAOYSA-N 1 2 354.801 2.867 20 30 FFEDLO COc1ccc(Cn2c[nH+]cc2CNc2ncnc3[nH]cc(C#N)c32)cc1 ZINC001161504986 1028207643 /nfs/dbraw/zinc/20/76/43/1028207643.db2.gz KJBCALAFYHNGCV-UHFFFAOYSA-N 1 2 359.393 2.695 20 30 FFEDLO Cc1c[nH+]c(NCCNC(=O)[C@@H]2CCCc3ccccc32)c(/C=N/O)c1 ZINC001162640664 1028610051 /nfs/dbraw/zinc/61/00/51/1028610051.db2.gz KJVJHYASKQRVLZ-QJTDOHDFSA-N 1 2 352.438 2.846 20 30 FFEDLO CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(F)(F)c1nc(Cl)ccc1C#N ZINC001162876136 1028689618 /nfs/dbraw/zinc/68/96/18/1028689618.db2.gz PVEXUUPLELFEKE-CYBMUJFWSA-N 1 2 372.847 2.992 20 30 FFEDLO CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001111611743 1028915589 /nfs/dbraw/zinc/91/55/89/1028915589.db2.gz HWVMDEZXYMBTRD-LIVBEALHSA-N 1 2 359.445 2.593 20 30 FFEDLO CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001111611743 1028915596 /nfs/dbraw/zinc/91/55/96/1028915596.db2.gz HWVMDEZXYMBTRD-LIVBEALHSA-N 1 2 359.445 2.593 20 30 FFEDLO Cc1nn(CCNc2[nH+]cc(C)cc2/C=N/O)c(C)c1Br ZINC001156496268 1029218270 /nfs/dbraw/zinc/21/82/70/1029218270.db2.gz SAOSARXEZREEHH-QGMBQPNBSA-N 1 2 352.236 2.886 20 30 FFEDLO CCc1noc([C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)n1 ZINC001111737366 1029293002 /nfs/dbraw/zinc/29/30/02/1029293002.db2.gz ARKNTIFTTPQMSX-SIFCLUCFSA-N 1 2 358.486 2.713 20 30 FFEDLO CCc1noc([C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)n1 ZINC001111737366 1029293019 /nfs/dbraw/zinc/29/30/19/1029293019.db2.gz ARKNTIFTTPQMSX-SIFCLUCFSA-N 1 2 358.486 2.713 20 30 FFEDLO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)NC1C[NH+](C(C)C)C1 ZINC001157532098 1029610007 /nfs/dbraw/zinc/61/00/07/1029610007.db2.gz RLKSRFNFINAZKJ-UHFFFAOYSA-N 1 2 372.803 2.515 20 30 FFEDLO N#CCCCCNc1[nH+]cnc2c1ccn2S(=O)(=O)c1ccccc1 ZINC001157638099 1029634665 /nfs/dbraw/zinc/63/46/65/1029634665.db2.gz QYQKMKWARCSPEE-UHFFFAOYSA-N 1 2 355.423 2.774 20 30 FFEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1c1cc(Cl)ncc1C#N ZINC001165653785 1030070529 /nfs/dbraw/zinc/07/05/29/1030070529.db2.gz YEGXCKCUMCDAQL-MRXNPFEDSA-N 1 2 372.860 2.624 20 30 FFEDLO Cc1nc(Cl)nc(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c1C#N ZINC001165690881 1030086201 /nfs/dbraw/zinc/08/62/01/1030086201.db2.gz GYHQPEFTKUOFCK-CQSZACIVSA-N 1 2 372.860 2.570 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nocc2C)C1 ZINC001112146991 1030099246 /nfs/dbraw/zinc/09/92/46/1030099246.db2.gz ZDVPOOGJDICCRR-UKRRQHHQSA-N 1 2 357.376 2.656 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nccn2CC)C1 ZINC001112148284 1030100809 /nfs/dbraw/zinc/10/08/09/1030100809.db2.gz IHBXUADOKJEOGO-HUUCEWRRSA-N 1 2 370.419 2.576 20 30 FFEDLO N#Cc1c(Cl)ccnc1N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001165987799 1030191276 /nfs/dbraw/zinc/19/12/76/1030191276.db2.gz SZHHWCOMFFWAKD-UHFFFAOYSA-N 1 2 369.856 2.877 20 30 FFEDLO CCN1C(C)=N[C@@]2(CC[C@@H]3CN(c4[nH+]ccc5ccc(C#N)cc54)C[C@@H]32)C1=O ZINC001165993638 1030193414 /nfs/dbraw/zinc/19/34/14/1030193414.db2.gz WKOGSOPSKQIRQE-ZWCUEREDSA-N 1 2 373.460 2.972 20 30 FFEDLO COCCN1CCN(c2[nH+]ccc3ccc(C#N)cc32)Cc2cccnc21 ZINC001166059187 1030224526 /nfs/dbraw/zinc/22/45/26/1030224526.db2.gz NMTLXVZUPVFAPU-UHFFFAOYSA-N 1 2 359.433 2.974 20 30 FFEDLO CO[C@@H](CC(C)C)CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000841482408 1030312521 /nfs/dbraw/zinc/31/25/21/1030312521.db2.gz ODWUVWJOHATMAN-AWEZNQCLSA-N 1 2 356.470 2.707 20 30 FFEDLO C=CC[C@@](C)(NC(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1)C(=O)OC ZINC001142373421 1030369176 /nfs/dbraw/zinc/36/91/76/1030369176.db2.gz AVBOGWAXXYHRAO-SQUSKLHYSA-N 1 2 353.422 2.569 20 30 FFEDLO N#CCc1ccc(CON=C(N)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000784058402 1030446270 /nfs/dbraw/zinc/44/62/70/1030446270.db2.gz GJVYQCRNUUUVCE-FQEVSTJZSA-N 1 2 364.449 2.652 20 30 FFEDLO N#CCc1ccc(CON=C(N)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000784058402 1030446282 /nfs/dbraw/zinc/44/62/82/1030446282.db2.gz GJVYQCRNUUUVCE-FQEVSTJZSA-N 1 2 364.449 2.652 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nc2cc(OC)ccc2[nH]1 ZINC001276406947 1030634662 /nfs/dbraw/zinc/63/46/62/1030634662.db2.gz NOWJWFLMAKWSGA-QZTJIDSGSA-N 1 2 354.454 2.713 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nc2cc(OC)ccc2[nH]1 ZINC001276406947 1030634664 /nfs/dbraw/zinc/63/46/64/1030634664.db2.gz NOWJWFLMAKWSGA-QZTJIDSGSA-N 1 2 354.454 2.713 20 30 FFEDLO Cn1ncc2c1C[N@H+](Cc1cccc(C#N)c1)C[C@@H]2COc1cccnc1 ZINC001203757816 1030867559 /nfs/dbraw/zinc/86/75/59/1030867559.db2.gz PXJCXKOHHFCVPW-GOSISDBHSA-N 1 2 359.433 2.865 20 30 FFEDLO Cn1ncc2c1C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]2COc1cccnc1 ZINC001203757816 1030867580 /nfs/dbraw/zinc/86/75/80/1030867580.db2.gz PXJCXKOHHFCVPW-GOSISDBHSA-N 1 2 359.433 2.865 20 30 FFEDLO N#Cc1ccc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)cc1F ZINC001204076363 1031084171 /nfs/dbraw/zinc/08/41/71/1031084171.db2.gz IUDCSIHBOLLGLY-UHFFFAOYSA-N 1 2 352.413 2.962 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(F)ccc(OCC)c1F ZINC001276463058 1031276410 /nfs/dbraw/zinc/27/64/10/1031276410.db2.gz YHNTVSUXFOIREO-HXUWFJFHSA-N 1 2 362.420 2.954 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(F)ccc(OCC)c1F ZINC001276463058 1031276420 /nfs/dbraw/zinc/27/64/20/1031276420.db2.gz YHNTVSUXFOIREO-HXUWFJFHSA-N 1 2 362.420 2.954 20 30 FFEDLO CCOc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(O)c1 ZINC000798275540 1031354989 /nfs/dbraw/zinc/35/49/89/1031354989.db2.gz RUKPTLSALJQZDL-ZBFHGGJFSA-N 1 2 361.442 2.640 20 30 FFEDLO CCc1cc(NNC2=CC(=O)N3CCCC[C@H]23)[nH+]c(-c2ccccn2)n1 ZINC000799479688 1031780229 /nfs/dbraw/zinc/78/02/29/1031780229.db2.gz CCRMXHUYBLRWNM-MRXNPFEDSA-N 1 2 350.426 2.654 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3C(C)(C)C)[C@H]2C1 ZINC001223392940 1033422674 /nfs/dbraw/zinc/42/26/74/1033422674.db2.gz FQYYDJGHLHLKAB-SJORKVTESA-N 1 2 359.518 2.812 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3C(C)(C)C)[C@H]2C1 ZINC001223392940 1033422680 /nfs/dbraw/zinc/42/26/80/1033422680.db2.gz FQYYDJGHLHLKAB-SJORKVTESA-N 1 2 359.518 2.812 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2Cl)C[C@@H]1O ZINC001219706838 1033776810 /nfs/dbraw/zinc/77/68/10/1033776810.db2.gz QEWXZQQIQFPSJY-CABCVRRESA-N 1 2 366.889 2.612 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2Cl)C[C@@H]1O ZINC001219706838 1033776821 /nfs/dbraw/zinc/77/68/21/1033776821.db2.gz QEWXZQQIQFPSJY-CABCVRRESA-N 1 2 366.889 2.612 20 30 FFEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)c(O)c(Cl)c1)CC2 ZINC001276991924 1033981573 /nfs/dbraw/zinc/98/15/73/1033981573.db2.gz HEPCSXLPBBBVCU-CYBMUJFWSA-N 1 2 350.821 2.536 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)c(OC)c2)C[C@@H]1O ZINC001220133855 1034000084 /nfs/dbraw/zinc/00/00/84/1034000084.db2.gz PFIOBOAAXLIUJT-CVEARBPZSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(OC)c2)C[C@@H]1O ZINC001220133855 1034000101 /nfs/dbraw/zinc/00/01/01/1034000101.db2.gz PFIOBOAAXLIUJT-CVEARBPZSA-N 1 2 366.889 2.612 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001220149225 1034005057 /nfs/dbraw/zinc/00/50/57/1034005057.db2.gz DCOSZEJSHSLZEB-ZMYBRWDISA-N 1 2 364.436 2.771 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001220149225 1034005072 /nfs/dbraw/zinc/00/50/72/1034005072.db2.gz DCOSZEJSHSLZEB-ZMYBRWDISA-N 1 2 364.436 2.771 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3ccc(F)c(C#N)c3)C2)c1 ZINC001535552912 1069833858 /nfs/dbraw/zinc/83/38/58/1069833858.db2.gz LYZAGZULNUTBHP-LJQANCHMSA-N 1 2 367.424 2.637 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3ccc(F)c(C#N)c3)C2)c1 ZINC001535552912 1069833874 /nfs/dbraw/zinc/83/38/74/1069833874.db2.gz LYZAGZULNUTBHP-LJQANCHMSA-N 1 2 367.424 2.637 20 30 FFEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Cl)c(F)c1F)CC2 ZINC001277017780 1034114901 /nfs/dbraw/zinc/11/49/01/1034114901.db2.gz RHRIYAZHJXFCFS-ZDUSSCGKSA-N 1 2 352.812 2.970 20 30 FFEDLO CC(C)=CCC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220401543 1034150322 /nfs/dbraw/zinc/15/03/22/1034150322.db2.gz FJBJIERIEQGUNC-FCEUIQTBSA-N 1 2 368.521 2.972 20 30 FFEDLO CC(C)=CCC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220401543 1034150324 /nfs/dbraw/zinc/15/03/24/1034150324.db2.gz FJBJIERIEQGUNC-FCEUIQTBSA-N 1 2 368.521 2.972 20 30 FFEDLO C#CCOc1ccc(C[N@@H+](C)[C@@H](Cc2ccccc2)C(=O)OC)cc1OC ZINC001138346931 1034179461 /nfs/dbraw/zinc/17/94/61/1034179461.db2.gz QLCZQTCEMKXGQU-IBGZPJMESA-N 1 2 367.445 2.923 20 30 FFEDLO C#CCOc1ccc(C[N@H+](C)[C@@H](Cc2ccccc2)C(=O)OC)cc1OC ZINC001138346931 1034179471 /nfs/dbraw/zinc/17/94/71/1034179471.db2.gz QLCZQTCEMKXGQU-IBGZPJMESA-N 1 2 367.445 2.923 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000831690902 1034214128 /nfs/dbraw/zinc/21/41/28/1034214128.db2.gz FYGCNPMTWZQWBT-UHFFFAOYSA-N 1 2 369.465 2.591 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](Cc3cnc(C)s3)C[C@@H]2O)CCCCC1 ZINC001220526271 1034238346 /nfs/dbraw/zinc/23/83/46/1034238346.db2.gz QFZWIISFGSUMOC-SJORKVTESA-N 1 2 363.527 2.639 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)s3)C[C@@H]2O)CCCCC1 ZINC001220526271 1034238362 /nfs/dbraw/zinc/23/83/62/1034238362.db2.gz QFZWIISFGSUMOC-SJORKVTESA-N 1 2 363.527 2.639 20 30 FFEDLO COC(=O)c1ccc(C(=[NH2+])NC(O)=C2CCC[C@@H](c3ccccc3)N2)cc1 ZINC001220581908 1034268788 /nfs/dbraw/zinc/26/87/88/1034268788.db2.gz XSYRJGUTRIKVPN-ROUUACIJSA-N 1 2 365.433 2.589 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220834529 1034418684 /nfs/dbraw/zinc/41/86/84/1034418684.db2.gz DREBWFVPBXWXJK-RTWAWAEBSA-N 1 2 356.510 2.950 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220834529 1034418687 /nfs/dbraw/zinc/41/86/87/1034418687.db2.gz DREBWFVPBXWXJK-RTWAWAEBSA-N 1 2 356.510 2.950 20 30 FFEDLO COCCCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(Cl)c(C#N)c2)C1=O ZINC001277083220 1034451017 /nfs/dbraw/zinc/45/10/17/1034451017.db2.gz CHIHCNWCIAQCPR-LJQANCHMSA-N 1 2 361.873 2.815 20 30 FFEDLO COCCCN1CC[C@]2(CCC[N@H+]2Cc2ccc(Cl)c(C#N)c2)C1=O ZINC001277083220 1034451025 /nfs/dbraw/zinc/45/10/25/1034451025.db2.gz CHIHCNWCIAQCPR-LJQANCHMSA-N 1 2 361.873 2.815 20 30 FFEDLO N#CCSCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)ccc3Cl)C[C@H]21 ZINC001221288963 1034650501 /nfs/dbraw/zinc/65/05/01/1034650501.db2.gz CPYQRQVFEVHLIB-MLGOLLRUSA-N 1 2 367.877 2.769 20 30 FFEDLO N#CCSCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)ccc3Cl)C[C@H]21 ZINC001221288963 1034650509 /nfs/dbraw/zinc/65/05/09/1034650509.db2.gz CPYQRQVFEVHLIB-MLGOLLRUSA-N 1 2 367.877 2.769 20 30 FFEDLO CCCSCC(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221348632 1034684130 /nfs/dbraw/zinc/68/41/30/1034684130.db2.gz MBQSIKJDNIQRCR-IEBWSBKVSA-N 1 2 360.498 2.853 20 30 FFEDLO CCCSCC(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221348632 1034684138 /nfs/dbraw/zinc/68/41/38/1034684138.db2.gz MBQSIKJDNIQRCR-IEBWSBKVSA-N 1 2 360.498 2.853 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](Cc3nnc(-c4ccccc4)o3)C[C@H]21 ZINC001221424420 1034740582 /nfs/dbraw/zinc/74/05/82/1034740582.db2.gz DZKCYDKJEKTORM-IAGOWNOFSA-N 1 2 352.438 2.736 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](Cc3nnc(-c4ccccc4)o3)C[C@H]21 ZINC001221424420 1034740593 /nfs/dbraw/zinc/74/05/93/1034740593.db2.gz DZKCYDKJEKTORM-IAGOWNOFSA-N 1 2 352.438 2.736 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](Cc3nnc(-c4ccc(F)cc4)o3)C[C@H]21 ZINC001221425084 1034742163 /nfs/dbraw/zinc/74/21/63/1034742163.db2.gz ZAHIMWNFNYYVOA-NVXWUHKLSA-N 1 2 370.428 2.875 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](Cc3nnc(-c4ccc(F)cc4)o3)C[C@H]21 ZINC001221425084 1034742176 /nfs/dbraw/zinc/74/21/76/1034742176.db2.gz ZAHIMWNFNYYVOA-NVXWUHKLSA-N 1 2 370.428 2.875 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3c(C)cccc3C)C[C@H]21 ZINC001221424746 1034742827 /nfs/dbraw/zinc/74/28/27/1034742827.db2.gz NCQUMMWYUIZCFT-QZTJIDSGSA-N 1 2 355.482 2.741 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3c(C)cccc3C)C[C@H]21 ZINC001221424746 1034742842 /nfs/dbraw/zinc/74/28/42/1034742842.db2.gz NCQUMMWYUIZCFT-QZTJIDSGSA-N 1 2 355.482 2.741 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC001221539079 1034857717 /nfs/dbraw/zinc/85/77/17/1034857717.db2.gz LSHVQYJCDUIQFO-CKEIUWERSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC001221539079 1034857720 /nfs/dbraw/zinc/85/77/20/1034857720.db2.gz LSHVQYJCDUIQFO-CKEIUWERSA-N 1 2 364.848 2.550 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)c(O)c1)C2 ZINC001277160639 1034865021 /nfs/dbraw/zinc/86/50/21/1034865021.db2.gz HMKSPFYRTKFFIA-IBGZPJMESA-N 1 2 364.873 2.673 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)c(O)c1)C2 ZINC001277160639 1034865030 /nfs/dbraw/zinc/86/50/30/1034865030.db2.gz HMKSPFYRTKFFIA-IBGZPJMESA-N 1 2 364.873 2.673 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nccc4cccc(Br)c43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226923393 1034884454 /nfs/dbraw/zinc/88/44/54/1034884454.db2.gz XKTBALSMPLAOMS-UCHAVSLVSA-N 1 2 361.239 2.989 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nccc4cccc(Br)c43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226923393 1034884465 /nfs/dbraw/zinc/88/44/65/1034884465.db2.gz XKTBALSMPLAOMS-UCHAVSLVSA-N 1 2 361.239 2.989 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCC(C)CC3)C[C@H]21 ZINC001221584960 1034897761 /nfs/dbraw/zinc/89/77/61/1034897761.db2.gz LTNDHVUWWDJFRR-JWHDQAAXSA-N 1 2 361.530 2.570 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCC(C)CC3)C[C@H]21 ZINC001221584960 1034897764 /nfs/dbraw/zinc/89/77/64/1034897764.db2.gz LTNDHVUWWDJFRR-JWHDQAAXSA-N 1 2 361.530 2.570 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCCC(C)(C)C)C[C@H]21 ZINC001221731036 1035022828 /nfs/dbraw/zinc/02/28/28/1035022828.db2.gz YBJJICFAELGTRZ-IAGOWNOFSA-N 1 2 363.546 2.674 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCCC(C)(C)C)C[C@H]21 ZINC001221731036 1035022837 /nfs/dbraw/zinc/02/28/37/1035022837.db2.gz YBJJICFAELGTRZ-IAGOWNOFSA-N 1 2 363.546 2.674 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccc(C)cc3)C[C@H]21 ZINC001221779760 1035062421 /nfs/dbraw/zinc/06/24/21/1035062421.db2.gz MEBULMXFJMQRGJ-IEBWSBKVSA-N 1 2 355.482 2.823 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccc(C)cc3)C[C@H]21 ZINC001221779760 1035062428 /nfs/dbraw/zinc/06/24/28/1035062428.db2.gz MEBULMXFJMQRGJ-IEBWSBKVSA-N 1 2 355.482 2.823 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc2cc(O)ccc2c1 ZINC001139336629 1035064488 /nfs/dbraw/zinc/06/44/88/1035064488.db2.gz VMDSSXBCBFKOQJ-FQEVSTJZSA-N 1 2 364.449 2.976 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc2cc(O)ccc2c1 ZINC001139336629 1035064492 /nfs/dbraw/zinc/06/44/92/1035064492.db2.gz VMDSSXBCBFKOQJ-FQEVSTJZSA-N 1 2 364.449 2.976 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(OCCOC)cc3)[C@@H]2C1 ZINC001221923197 1035159231 /nfs/dbraw/zinc/15/92/31/1035159231.db2.gz QGKFYFZHBZYFET-SJLPKXTDSA-N 1 2 364.873 2.611 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(OCCOC)cc3)[C@@H]2C1 ZINC001221923197 1035159234 /nfs/dbraw/zinc/15/92/34/1035159234.db2.gz QGKFYFZHBZYFET-SJLPKXTDSA-N 1 2 364.873 2.611 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)cc1C#N ZINC001139725671 1035210352 /nfs/dbraw/zinc/21/03/52/1035210352.db2.gz XTNIHFVHCWDUTL-NRFANRHFSA-N 1 2 363.465 2.528 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)cc1C#N ZINC001139725671 1035210357 /nfs/dbraw/zinc/21/03/57/1035210357.db2.gz XTNIHFVHCWDUTL-NRFANRHFSA-N 1 2 363.465 2.528 20 30 FFEDLO C=CCn1cc(C[N@H+]2CCC[C@@H](c3cccc(S(C)(=O)=O)c3)C2)cn1 ZINC001139771012 1035226665 /nfs/dbraw/zinc/22/66/65/1035226665.db2.gz KTLFOTUZPOFCIG-GOSISDBHSA-N 1 2 359.495 2.852 20 30 FFEDLO C=CCn1cc(C[N@@H+]2CCC[C@@H](c3cccc(S(C)(=O)=O)c3)C2)cn1 ZINC001139771012 1035226669 /nfs/dbraw/zinc/22/66/69/1035226669.db2.gz KTLFOTUZPOFCIG-GOSISDBHSA-N 1 2 359.495 2.852 20 30 FFEDLO C=CCn1cc(C[N@H+]2CCO[C@H]3[C@H](OCc4cccc(C)n4)CC[C@@H]32)cn1 ZINC001139770005 1035227225 /nfs/dbraw/zinc/22/72/25/1035227225.db2.gz YWDRSDSZPAVAJT-PWRODBHTSA-N 1 2 368.481 2.721 20 30 FFEDLO C=CCn1cc(C[N@@H+]2CCO[C@H]3[C@H](OCc4cccc(C)n4)CC[C@@H]32)cn1 ZINC001139770005 1035227231 /nfs/dbraw/zinc/22/72/31/1035227231.db2.gz YWDRSDSZPAVAJT-PWRODBHTSA-N 1 2 368.481 2.721 20 30 FFEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1cc(F)cc(C#N)c1)C2 ZINC001139874590 1035262890 /nfs/dbraw/zinc/26/28/90/1035262890.db2.gz DJZHYOBAZJKAJP-UHFFFAOYSA-N 1 2 356.449 2.535 20 30 FFEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1cc(F)cc(C#N)c1)C2 ZINC001139874590 1035262891 /nfs/dbraw/zinc/26/28/91/1035262891.db2.gz DJZHYOBAZJKAJP-UHFFFAOYSA-N 1 2 356.449 2.535 20 30 FFEDLO COc1c(Br)ccc(F)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001227388279 1035529717 /nfs/dbraw/zinc/52/97/17/1035529717.db2.gz VHNZLVVBOALHIV-LDGUKNRMSA-N 1 2 358.207 2.588 20 30 FFEDLO COc1c(Br)ccc(F)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001227388279 1035529726 /nfs/dbraw/zinc/52/97/26/1035529726.db2.gz VHNZLVVBOALHIV-LDGUKNRMSA-N 1 2 358.207 2.588 20 30 FFEDLO Cc1cccc(C[NH+]2CCN(c3nccnc3C#N)CC2)c1OC(C)C ZINC001232392800 1035647860 /nfs/dbraw/zinc/64/78/60/1035647860.db2.gz CPEMZXAJDVRFRQ-UHFFFAOYSA-N 1 2 351.454 2.766 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Cl)ncc1C(F)(F)F ZINC001277237667 1035719266 /nfs/dbraw/zinc/71/92/66/1035719266.db2.gz BEENYEGRNCTCKJ-ZIAGYGMSSA-N 1 2 371.790 2.952 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)ncc1C(F)(F)F ZINC001277237667 1035719283 /nfs/dbraw/zinc/71/92/83/1035719283.db2.gz BEENYEGRNCTCKJ-ZIAGYGMSSA-N 1 2 371.790 2.952 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)c(F)cc1OCC ZINC001277673387 1035743421 /nfs/dbraw/zinc/74/34/21/1035743421.db2.gz MMQMZVJIRYAOSE-FQEVSTJZSA-N 1 2 362.420 2.954 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)c(F)cc1OCC ZINC001277673387 1035743428 /nfs/dbraw/zinc/74/34/28/1035743428.db2.gz MMQMZVJIRYAOSE-FQEVSTJZSA-N 1 2 362.420 2.954 20 30 FFEDLO Cc1ccc(O[C@@H]2C[C@@H]3CN(Cc4cc(C#N)ccc4O)CC[N@@H+]3C2)cc1 ZINC001232676986 1035937648 /nfs/dbraw/zinc/93/76/48/1035937648.db2.gz WDBMMFCUBCPEBA-TZIWHRDSSA-N 1 2 363.461 2.910 20 30 FFEDLO Cc1ccc(O[C@@H]2C[C@@H]3CN(Cc4cc(C#N)ccc4O)CC[N@H+]3C2)cc1 ZINC001232676986 1035937659 /nfs/dbraw/zinc/93/76/59/1035937659.db2.gz WDBMMFCUBCPEBA-TZIWHRDSSA-N 1 2 363.461 2.910 20 30 FFEDLO COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc(C#N)s1 ZINC001232846269 1036103406 /nfs/dbraw/zinc/10/34/06/1036103406.db2.gz DLRQFIHUXQEXGQ-KRWDZBQOSA-N 1 2 369.490 2.869 20 30 FFEDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc(C#N)s1 ZINC001232846269 1036103416 /nfs/dbraw/zinc/10/34/16/1036103416.db2.gz DLRQFIHUXQEXGQ-KRWDZBQOSA-N 1 2 369.490 2.869 20 30 FFEDLO N#Cc1ccc(F)cc1CN1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001232891992 1036135031 /nfs/dbraw/zinc/13/50/31/1036135031.db2.gz XMQALOCVBZITQL-MRXNPFEDSA-N 1 2 354.429 2.952 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](Oc2ccc(C(N)=O)cc2)C1 ZINC001232892435 1036135067 /nfs/dbraw/zinc/13/50/67/1036135067.db2.gz KAAPFAPVPLCVAQ-LJQANCHMSA-N 1 2 353.397 2.840 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](Oc2ccc(C(N)=O)cc2)C1 ZINC001232892435 1036135073 /nfs/dbraw/zinc/13/50/73/1036135073.db2.gz KAAPFAPVPLCVAQ-LJQANCHMSA-N 1 2 353.397 2.840 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)ccc1Br ZINC001232894687 1036136451 /nfs/dbraw/zinc/13/64/51/1036136451.db2.gz FMXNGSRZGPYQLF-KRWDZBQOSA-N 1 2 362.271 2.955 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCC[C@@]3(CCCC(=O)N3)C2)ccc1Br ZINC001232894687 1036136461 /nfs/dbraw/zinc/13/64/61/1036136461.db2.gz FMXNGSRZGPYQLF-KRWDZBQOSA-N 1 2 362.271 2.955 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](Cc2[nH]cc(C)c2C)Cc2nnn(CC3CC3)c21 ZINC001140860120 1036301928 /nfs/dbraw/zinc/30/19/28/1036301928.db2.gz IXSWGSUIEWLMJA-KRWDZBQOSA-N 1 2 355.486 2.935 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](Cc2[nH]cc(C)c2C)Cc2nnn(CC3CC3)c21 ZINC001140860120 1036301934 /nfs/dbraw/zinc/30/19/34/1036301934.db2.gz IXSWGSUIEWLMJA-KRWDZBQOSA-N 1 2 355.486 2.935 20 30 FFEDLO CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c(F)c1C#N ZINC001233102998 1036349762 /nfs/dbraw/zinc/34/97/62/1036349762.db2.gz WCDYYPMJDQWVJM-YOEHRIQHSA-N 1 2 374.460 2.814 20 30 FFEDLO CN(C)c1ccc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c(F)c1C#N ZINC001233102998 1036349781 /nfs/dbraw/zinc/34/97/81/1036349781.db2.gz WCDYYPMJDQWVJM-YOEHRIQHSA-N 1 2 374.460 2.814 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1[nH]nc3cc(F)ccc31)CC2 ZINC001233120353 1036368758 /nfs/dbraw/zinc/36/87/58/1036368758.db2.gz BAXQHANLBZSDIG-UHFFFAOYSA-N 1 2 355.417 2.696 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1[nH]nc3cc(F)ccc31)CC2 ZINC001233120353 1036368779 /nfs/dbraw/zinc/36/87/79/1036368779.db2.gz BAXQHANLBZSDIG-UHFFFAOYSA-N 1 2 355.417 2.696 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(F)(F)C(F)F ZINC001229062656 1036479812 /nfs/dbraw/zinc/47/98/12/1036479812.db2.gz KJQICPZFODKIOY-DGAVXFQQSA-N 1 2 366.399 2.885 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(O)c1 ZINC001233385401 1036585046 /nfs/dbraw/zinc/58/50/46/1036585046.db2.gz GXTHHWSHYGNGKH-ICSRJNTNSA-N 1 2 367.424 2.740 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(O)c1 ZINC001233385401 1036585060 /nfs/dbraw/zinc/58/50/60/1036585060.db2.gz GXTHHWSHYGNGKH-ICSRJNTNSA-N 1 2 367.424 2.740 20 30 FFEDLO C[C@@H](CON)Oc1ccccc1/C=[NH+]/CCC/N=C/c1ccccc1O ZINC001229385191 1036645770 /nfs/dbraw/zinc/64/57/70/1036645770.db2.gz QCDUULQLUCDZGK-UCWYZOPCSA-N 1 2 355.438 2.978 20 30 FFEDLO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ccc(O)c3c2C(=O)C=CC3=O)C1 ZINC001229408461 1036658997 /nfs/dbraw/zinc/65/89/97/1036658997.db2.gz ZIQHZHXGIZQLKD-ZIAGYGMSSA-N 1 2 364.401 2.937 20 30 FFEDLO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ccc(O)c3c2C(=O)C=CC3=O)C1 ZINC001229408461 1036659003 /nfs/dbraw/zinc/65/90/03/1036659003.db2.gz ZIQHZHXGIZQLKD-ZIAGYGMSSA-N 1 2 364.401 2.937 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc3cccc(O)c3n1)CC2 ZINC001141022756 1036746095 /nfs/dbraw/zinc/74/60/95/1036746095.db2.gz LWNSLIVZKIOISV-UHFFFAOYSA-N 1 2 364.449 2.935 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc3cccc(O)c3n1)CC2 ZINC001141022756 1036746113 /nfs/dbraw/zinc/74/61/13/1036746113.db2.gz LWNSLIVZKIOISV-UHFFFAOYSA-N 1 2 364.449 2.935 20 30 FFEDLO CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)cc1 ZINC001206947138 1036964887 /nfs/dbraw/zinc/96/48/87/1036964887.db2.gz HROKASYWGLENHF-MBOZVWFJSA-N 1 2 369.509 2.672 20 30 FFEDLO CCc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)cc1 ZINC001206947138 1036964905 /nfs/dbraw/zinc/96/49/05/1036964905.db2.gz HROKASYWGLENHF-MBOZVWFJSA-N 1 2 369.509 2.672 20 30 FFEDLO COC(=O)/C=C\c1ccc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)o1 ZINC001207185580 1037230054 /nfs/dbraw/zinc/23/00/54/1037230054.db2.gz POJOGHBJQPMCFK-ALCCZGGFSA-N 1 2 369.396 2.799 20 30 FFEDLO C=CCN1CC[C@@]2(CCCN(c3nc(N(C)CC)c(C)c[nH+]3)CC2)C1=O ZINC001277921062 1037347963 /nfs/dbraw/zinc/34/79/63/1037347963.db2.gz HCJYCRNGPBLTFC-HXUWFJFHSA-N 1 2 357.502 2.636 20 30 FFEDLO C=CC1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)CC1 ZINC001235145895 1037384466 /nfs/dbraw/zinc/38/44/66/1037384466.db2.gz UYBIIWPRVBZPMH-HXUWFJFHSA-N 1 2 357.498 2.803 20 30 FFEDLO C=CC1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)CC1 ZINC001235145895 1037384482 /nfs/dbraw/zinc/38/44/82/1037384482.db2.gz UYBIIWPRVBZPMH-HXUWFJFHSA-N 1 2 357.498 2.803 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCCc2cccc(F)c2)C1 ZINC001207397430 1037417139 /nfs/dbraw/zinc/41/71/39/1037417139.db2.gz KCMBTQXORKQURE-CXAGYDPISA-N 1 2 354.853 2.574 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCCc2cccc(F)c2)C1 ZINC001207397430 1037417144 /nfs/dbraw/zinc/41/71/44/1037417144.db2.gz KCMBTQXORKQURE-CXAGYDPISA-N 1 2 354.853 2.574 20 30 FFEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1CCc1ccccc1OC ZINC001207452798 1037450336 /nfs/dbraw/zinc/45/03/36/1037450336.db2.gz PWUNEIPIOTVFIT-SFHVURJKSA-N 1 2 356.470 2.651 20 30 FFEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1CCc1ccccc1OC ZINC001207452798 1037450339 /nfs/dbraw/zinc/45/03/39/1037450339.db2.gz PWUNEIPIOTVFIT-SFHVURJKSA-N 1 2 356.470 2.651 20 30 FFEDLO N#Cc1cc(F)c(C[N@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c(F)c1 ZINC001235655022 1037665833 /nfs/dbraw/zinc/66/58/33/1037665833.db2.gz TVRXWBLAKVSNFM-OKILXGFUSA-N 1 2 360.433 2.857 20 30 FFEDLO N#Cc1cc(F)c(C[N@@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c(F)c1 ZINC001235655022 1037665835 /nfs/dbraw/zinc/66/58/35/1037665835.db2.gz TVRXWBLAKVSNFM-OKILXGFUSA-N 1 2 360.433 2.857 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cn(C)nc1C(F)(F)F ZINC001277578297 1037958888 /nfs/dbraw/zinc/95/88/88/1037958888.db2.gz CMQDGZYKRYDNHC-KRWDZBQOSA-N 1 2 370.419 2.972 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cn(C)nc1C(F)(F)F ZINC001277578297 1037958903 /nfs/dbraw/zinc/95/89/03/1037958903.db2.gz CMQDGZYKRYDNHC-KRWDZBQOSA-N 1 2 370.419 2.972 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001208129662 1038069133 /nfs/dbraw/zinc/06/91/33/1038069133.db2.gz ZTESWGPDKIWXTM-OGWOLHLISA-N 1 2 365.905 2.900 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001208129662 1038069155 /nfs/dbraw/zinc/06/91/55/1038069155.db2.gz ZTESWGPDKIWXTM-OGWOLHLISA-N 1 2 365.905 2.900 20 30 FFEDLO Cc1cc(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c(F)cc1F ZINC001278911928 1038390343 /nfs/dbraw/zinc/39/03/43/1038390343.db2.gz MEHDUGBHBZOOEC-UHFFFAOYSA-N 1 2 356.420 2.801 20 30 FFEDLO CCCCNC(=O)[C@H]1CC12CC[NH+](CC(=O)c1ccc(C#N)cc1)CC2 ZINC001276628317 1038739072 /nfs/dbraw/zinc/73/90/72/1038739072.db2.gz YITMBDOMEWIESN-GOSISDBHSA-N 1 2 353.466 2.759 20 30 FFEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)S(=O)(=O)c1ccccc1C#N ZINC001258247605 1039287877 /nfs/dbraw/zinc/28/78/77/1039287877.db2.gz ZNINZCGLFWFDJL-UHFFFAOYSA-N 1 2 352.419 2.565 20 30 FFEDLO C=CCC[C@@H](O)CNc1cncnc1[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001252587561 1039603633 /nfs/dbraw/zinc/60/36/33/1039603633.db2.gz FOMNBGYAWVCNOV-UYAOXDASSA-N 1 2 368.481 2.789 20 30 FFEDLO C=CCC[C@@H](O)CNc1cncnc1[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001252587561 1039603640 /nfs/dbraw/zinc/60/36/40/1039603640.db2.gz FOMNBGYAWVCNOV-UYAOXDASSA-N 1 2 368.481 2.789 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1C)c1ccccc1 ZINC001211200106 1039993198 /nfs/dbraw/zinc/99/31/98/1039993198.db2.gz KFGFRXZIIFGIKY-FHLIZLRMSA-N 1 2 356.495 2.835 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1C)c1ccccc1 ZINC001211200106 1039993207 /nfs/dbraw/zinc/99/32/07/1039993207.db2.gz KFGFRXZIIFGIKY-FHLIZLRMSA-N 1 2 356.495 2.835 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)cn2)C[C@H]1C)c1ccccc1 ZINC001211235404 1040023211 /nfs/dbraw/zinc/02/32/11/1040023211.db2.gz NVAFKSTZBWQDLK-NZSAHSFTSA-N 1 2 350.466 2.691 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ncc(C)cn2)C[C@H]1C)c1ccccc1 ZINC001211235404 1040023226 /nfs/dbraw/zinc/02/32/26/1040023226.db2.gz NVAFKSTZBWQDLK-NZSAHSFTSA-N 1 2 350.466 2.691 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3nccc(C)n3)C[C@H]2C)CCCCC1 ZINC001211410737 1040166030 /nfs/dbraw/zinc/16/60/30/1040166030.db2.gz GIZKRKKZBKPGQU-SJLPKXTDSA-N 1 2 354.498 2.695 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3nccc(C)n3)C[C@H]2C)CCCCC1 ZINC001211410737 1040166037 /nfs/dbraw/zinc/16/60/37/1040166037.db2.gz GIZKRKKZBKPGQU-SJLPKXTDSA-N 1 2 354.498 2.695 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1OC ZINC001213262664 1040385774 /nfs/dbraw/zinc/38/57/74/1040385774.db2.gz DYVAPNLLHBNEON-IAGOWNOFSA-N 1 2 362.518 2.556 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1OC ZINC001213262664 1040385793 /nfs/dbraw/zinc/38/57/93/1040385793.db2.gz DYVAPNLLHBNEON-IAGOWNOFSA-N 1 2 362.518 2.556 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(OC)c2)C[C@H]1OC ZINC001213271016 1040396484 /nfs/dbraw/zinc/39/64/84/1040396484.db2.gz DCLVGNBSXPRVKR-NVXWUHKLSA-N 1 2 366.889 2.876 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)c(OC)c2)C[C@H]1OC ZINC001213271016 1040396497 /nfs/dbraw/zinc/39/64/97/1040396497.db2.gz DCLVGNBSXPRVKR-NVXWUHKLSA-N 1 2 366.889 2.876 20 30 FFEDLO CCCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213362687 1040477036 /nfs/dbraw/zinc/47/70/36/1040477036.db2.gz KPTGMNSMNAHABM-RTBURBONSA-N 1 2 360.473 2.819 20 30 FFEDLO CCCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213362687 1040477049 /nfs/dbraw/zinc/47/70/49/1040477049.db2.gz KPTGMNSMNAHABM-RTBURBONSA-N 1 2 360.473 2.819 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2OC)CCC1 ZINC001213382338 1040497073 /nfs/dbraw/zinc/49/70/73/1040497073.db2.gz FOZUZGMWNZIWBC-RTBURBONSA-N 1 2 371.456 2.759 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2OC)CCC1 ZINC001213382338 1040497078 /nfs/dbraw/zinc/49/70/78/1040497078.db2.gz FOZUZGMWNZIWBC-RTBURBONSA-N 1 2 371.456 2.759 20 30 FFEDLO C[S@](=O)CC[C@H]([NH3+])c1nc(-c2cc(Cl)c(C#N)cc2Cl)no1 ZINC001249249122 1040652365 /nfs/dbraw/zinc/65/23/65/1040652365.db2.gz LQPIRDQBTIFBHB-SAHAZLINSA-N 1 2 359.238 2.683 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1nc3cc(OC)ccc3[nH]1)CC2 ZINC001249412476 1040734218 /nfs/dbraw/zinc/73/42/18/1040734218.db2.gz JZGQUTDLWXCNSD-UHFFFAOYSA-N 1 2 367.453 2.566 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1nc3cc(OC)ccc3[nH]1)CC2 ZINC001249412476 1040734230 /nfs/dbraw/zinc/73/42/30/1040734230.db2.gz JZGQUTDLWXCNSD-UHFFFAOYSA-N 1 2 367.453 2.566 20 30 FFEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1nc3cc(OC)ccc3[nH]1)C2 ZINC001249414102 1040738131 /nfs/dbraw/zinc/73/81/31/1040738131.db2.gz SAYZOECEDLLZAC-JXFKEZNVSA-N 1 2 357.454 2.898 20 30 FFEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1nc3cc(OC)ccc3[nH]1)C2 ZINC001249414102 1040738141 /nfs/dbraw/zinc/73/81/41/1040738141.db2.gz SAYZOECEDLLZAC-JXFKEZNVSA-N 1 2 357.454 2.898 20 30 FFEDLO CC[C@H](CC(C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001213692185 1040799929 /nfs/dbraw/zinc/79/99/29/1040799929.db2.gz YLZPJFFCWJNCGW-NSISKUIASA-N 1 2 357.498 2.946 20 30 FFEDLO CC[C@H](CC(C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001213692185 1040799952 /nfs/dbraw/zinc/79/99/52/1040799952.db2.gz YLZPJFFCWJNCGW-NSISKUIASA-N 1 2 357.498 2.946 20 30 FFEDLO C=CCO[C@@H]1CCN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC001254631589 1040851354 /nfs/dbraw/zinc/85/13/54/1040851354.db2.gz XWIIHRRQCYMKGT-HXUWFJFHSA-N 1 2 372.513 2.708 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1OC)c1ccccc1 ZINC001213897972 1041044204 /nfs/dbraw/zinc/04/42/04/1041044204.db2.gz SDVOBRSOYAXTPQ-PWIZWCRZSA-N 1 2 369.465 2.658 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1OC)c1ccccc1 ZINC001213897972 1041044213 /nfs/dbraw/zinc/04/42/13/1041044213.db2.gz SDVOBRSOYAXTPQ-PWIZWCRZSA-N 1 2 369.465 2.658 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(OC(F)(F)F)c(OC)c2)CC1 ZINC001249999043 1041087173 /nfs/dbraw/zinc/08/71/73/1041087173.db2.gz ZLVIXKVADHYPQY-UHFFFAOYSA-N 1 2 372.343 2.873 20 30 FFEDLO CC[C@@H](CC#N)[NH2+][C@@H](CCC(N)=O)C(=O)Nc1ccc2ccccc2c1 ZINC001255164990 1041177138 /nfs/dbraw/zinc/17/71/38/1041177138.db2.gz RUHHRENAVWDVPN-WMZOPIPTSA-N 1 2 352.438 2.694 20 30 FFEDLO N#Cc1c(NC(=O)C[N@H+]2C3CCC2(CO)CC3)sc2c1CCCCC2 ZINC001262313821 1041638531 /nfs/dbraw/zinc/63/85/31/1041638531.db2.gz WSJJBNNCQQHJPO-UHFFFAOYSA-N 1 2 359.495 2.816 20 30 FFEDLO N#Cc1c(NC(=O)C[N@@H+]2C3CCC2(CO)CC3)sc2c1CCCCC2 ZINC001262313821 1041638536 /nfs/dbraw/zinc/63/85/36/1041638536.db2.gz WSJJBNNCQQHJPO-UHFFFAOYSA-N 1 2 359.495 2.816 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001215322670 1041737126 /nfs/dbraw/zinc/73/71/26/1041737126.db2.gz BQLSXSQPGDFSEF-HZPDHXFCSA-N 1 2 360.502 2.887 20 30 FFEDLO COc1c(F)c(F)ccc1C[N@@H+]1CCC[C@]12CCN(CCCC#N)C2=O ZINC001276723945 1041813825 /nfs/dbraw/zinc/81/38/25/1041813825.db2.gz CGMRIPQVTGDVRP-LJQANCHMSA-N 1 2 363.408 2.844 20 30 FFEDLO COc1c(F)c(F)ccc1C[N@H+]1CCC[C@]12CCN(CCCC#N)C2=O ZINC001276723945 1041813828 /nfs/dbraw/zinc/81/38/28/1041813828.db2.gz CGMRIPQVTGDVRP-LJQANCHMSA-N 1 2 363.408 2.844 20 30 FFEDLO COc1ccc(C[NH+]2CCOCC2)cc1Nc1cc(C#N)c(C#N)cc1N ZINC001215548798 1041824437 /nfs/dbraw/zinc/82/44/37/1041824437.db2.gz FICFCXKQMYTYIP-UHFFFAOYSA-N 1 2 363.421 2.597 20 30 FFEDLO COc1cnc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)c(Cl)c1 ZINC001276735627 1041970994 /nfs/dbraw/zinc/97/09/94/1041970994.db2.gz YBHKEYOCKKKKJU-IAGOWNOFSA-N 1 2 362.861 2.613 20 30 FFEDLO COc1cnc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)c(Cl)c1 ZINC001276735627 1041970997 /nfs/dbraw/zinc/97/09/97/1041970997.db2.gz YBHKEYOCKKKKJU-IAGOWNOFSA-N 1 2 362.861 2.613 20 30 FFEDLO C=CCn1c([C@H](C)[C@@H](O)CC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001262938129 1041975367 /nfs/dbraw/zinc/97/53/67/1041975367.db2.gz SQGVYBHPUVGEJE-WBVHZDCISA-N 1 2 370.501 2.814 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001262948420 1041983322 /nfs/dbraw/zinc/98/33/22/1041983322.db2.gz LDOOEGWIWKHWLK-MSOLQXFVSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001262948420 1041983325 /nfs/dbraw/zinc/98/33/25/1041983325.db2.gz LDOOEGWIWKHWLK-MSOLQXFVSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](Cc3ccccc3)CCO2)nnc1N(C)CCC ZINC001262954525 1041986933 /nfs/dbraw/zinc/98/69/33/1041986933.db2.gz ZJMOGQBYRLUXGQ-SFHVURJKSA-N 1 2 355.486 2.884 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nnc1N(C)CCC ZINC001262954525 1041986935 /nfs/dbraw/zinc/98/69/35/1041986935.db2.gz ZJMOGQBYRLUXGQ-SFHVURJKSA-N 1 2 355.486 2.884 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@H]1CC[C@H](SCC)C1 ZINC001262990448 1042013742 /nfs/dbraw/zinc/01/37/42/1042013742.db2.gz CGLFXKDESCOYHG-GJZGRUSLSA-N 1 2 360.531 2.899 20 30 FFEDLO C=CCN(CCc1ccccc1)c1nnc(Cc2[nH+]ccn2C)n1CC ZINC001263012951 1042032611 /nfs/dbraw/zinc/03/26/11/1042032611.db2.gz CLPMNNROYRBJNZ-UHFFFAOYSA-N 1 2 350.470 2.857 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3c(Cl)ncnc3Cl)CC2)C1=O ZINC001276743115 1042060260 /nfs/dbraw/zinc/06/02/60/1042060260.db2.gz OXHYYLIQSARZKJ-KRWDZBQOSA-N 1 2 367.280 2.621 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+](Cc3c(Cl)ncnc3Cl)CC2)C1=O ZINC001276743115 1042060265 /nfs/dbraw/zinc/06/02/65/1042060265.db2.gz OXHYYLIQSARZKJ-KRWDZBQOSA-N 1 2 367.280 2.621 20 30 FFEDLO C=C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnn2)C1)c1ccccc1 ZINC001216811284 1042131274 /nfs/dbraw/zinc/13/12/74/1042131274.db2.gz DSTMXTYOYZUJNS-RVKKMQEKSA-N 1 2 356.495 2.835 20 30 FFEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cn3cccc(Cl)c3n1)CC2 ZINC001276748359 1042139190 /nfs/dbraw/zinc/13/91/90/1042139190.db2.gz HUSYDMATRHBINS-HNNXBMFYSA-N 1 2 358.873 2.892 20 30 FFEDLO C#CCC1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(CC)o3)C2)CCCCC1 ZINC001216905628 1042161095 /nfs/dbraw/zinc/16/10/95/1042161095.db2.gz FFEOMPXFMRNOJO-HZPDHXFCSA-N 1 2 358.486 2.542 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@H](C)CC1 ZINC001263316412 1042237137 /nfs/dbraw/zinc/23/71/37/1042237137.db2.gz TWIFNTHQTGVVPH-KRWDZBQOSA-N 1 2 361.534 2.685 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)[C@@H]1C ZINC001264135439 1042631164 /nfs/dbraw/zinc/63/11/64/1042631164.db2.gz FIHPPIBRMHSCPM-IYOUNJFTSA-N 1 2 371.872 2.764 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)[C@@H]1C ZINC001264135439 1042631168 /nfs/dbraw/zinc/63/11/68/1042631168.db2.gz FIHPPIBRMHSCPM-IYOUNJFTSA-N 1 2 371.872 2.764 20 30 FFEDLO C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001264597528 1042734116 /nfs/dbraw/zinc/73/41/16/1042734116.db2.gz LWFHJPYDQROJHM-ROUUACIJSA-N 1 2 358.482 2.771 20 30 FFEDLO C=CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001264597528 1042734119 /nfs/dbraw/zinc/73/41/19/1042734119.db2.gz LWFHJPYDQROJHM-ROUUACIJSA-N 1 2 358.482 2.771 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2csc(C)n2)[C@@H]1C)OCC ZINC001264703828 1042787821 /nfs/dbraw/zinc/78/78/21/1042787821.db2.gz FGUSQIVZXHRUMI-COXVUDFISA-N 1 2 351.516 2.902 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2csc(C)n2)[C@@H]1C)OCC ZINC001264703828 1042787826 /nfs/dbraw/zinc/78/78/26/1042787826.db2.gz FGUSQIVZXHRUMI-COXVUDFISA-N 1 2 351.516 2.902 20 30 FFEDLO Cn1cc(C[N@@H+]2CCC23CN(Cc2cc(Cl)ccc2N)C3)cc1C#N ZINC001279307213 1042993735 /nfs/dbraw/zinc/99/37/35/1042993735.db2.gz MEJRBVHBWORYAZ-UHFFFAOYSA-N 1 2 355.873 2.593 20 30 FFEDLO Cn1cc(C[N@H+]2CCC23CN(Cc2cc(Cl)ccc2N)C3)cc1C#N ZINC001279307213 1042993738 /nfs/dbraw/zinc/99/37/38/1042993738.db2.gz MEJRBVHBWORYAZ-UHFFFAOYSA-N 1 2 355.873 2.593 20 30 FFEDLO Cc1cc(C[NH+]2CC3(CN(Cc4cccc(C#N)c4Cl)C3)C2)n(C)n1 ZINC001279320388 1042998926 /nfs/dbraw/zinc/99/89/26/1042998926.db2.gz PJHHPNCXKHSLRA-UHFFFAOYSA-N 1 2 355.873 2.571 20 30 FFEDLO N#CCCCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccsc1Cl)C2 ZINC001278068891 1043055028 /nfs/dbraw/zinc/05/50/28/1043055028.db2.gz PZMPYYYYKMTXNA-QGZVFWFLSA-N 1 2 367.902 2.756 20 30 FFEDLO N#CCCCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccsc1Cl)C2 ZINC001278068891 1043055036 /nfs/dbraw/zinc/05/50/36/1043055036.db2.gz PZMPYYYYKMTXNA-QGZVFWFLSA-N 1 2 367.902 2.756 20 30 FFEDLO C#Cc1ccccc1C(=O)N1C[C@@H]2C[N@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001278091317 1043130358 /nfs/dbraw/zinc/13/03/58/1043130358.db2.gz SOWRMERMHXQSTO-IYBDPMFKSA-N 1 2 366.383 2.536 20 30 FFEDLO C#Cc1ccccc1C(=O)N1C[C@@H]2C[N@@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001278091317 1043130365 /nfs/dbraw/zinc/13/03/65/1043130365.db2.gz SOWRMERMHXQSTO-IYBDPMFKSA-N 1 2 366.383 2.536 20 30 FFEDLO N#Cc1cc(C[NH+]2CCC(NC(=O)c3cccnc3)CC2)c(F)cc1F ZINC001237536122 1043224847 /nfs/dbraw/zinc/22/48/47/1043224847.db2.gz IHJCCDWYENATOM-UHFFFAOYSA-N 1 2 356.376 2.626 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cn2cc(C#N)ccc2n1 ZINC001237604072 1043263902 /nfs/dbraw/zinc/26/39/02/1043263902.db2.gz ITYUJDIDFWQEME-IRXDYDNUSA-N 1 2 367.453 2.790 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cn2cc(C#N)ccc2n1 ZINC001237604072 1043263910 /nfs/dbraw/zinc/26/39/10/1043263910.db2.gz ITYUJDIDFWQEME-IRXDYDNUSA-N 1 2 367.453 2.790 20 30 FFEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237608167 1043267797 /nfs/dbraw/zinc/26/77/97/1043267797.db2.gz FDCRCAUJHLTCTN-HNNXBMFYSA-N 1 2 369.469 2.895 20 30 FFEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237608167 1043267814 /nfs/dbraw/zinc/26/78/14/1043267814.db2.gz FDCRCAUJHLTCTN-HNNXBMFYSA-N 1 2 369.469 2.895 20 30 FFEDLO N#Cc1ccc2nc(CN3CC[C@@H]([NH+]4CCCCC4)C(F)(F)C3)cn2c1 ZINC001237610716 1043270063 /nfs/dbraw/zinc/27/00/63/1043270063.db2.gz MCOYJXZHNINODC-QGZVFWFLSA-N 1 2 359.424 2.901 20 30 FFEDLO Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3CN(Cc4cc(C#N)n(C)c4)C[C@H]32)n1 ZINC001279643860 1043389704 /nfs/dbraw/zinc/38/97/04/1043389704.db2.gz AFWVGWUTXHHRNP-OXJNMPFZSA-N 1 2 369.900 2.960 20 30 FFEDLO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CN(Cc4cc(C#N)n(C)c4)C[C@H]32)n1 ZINC001279643860 1043389711 /nfs/dbraw/zinc/38/97/11/1043389711.db2.gz AFWVGWUTXHHRNP-OXJNMPFZSA-N 1 2 369.900 2.960 20 30 FFEDLO Cn1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(F)c(O)c2)cc1C#N ZINC001279656476 1043412111 /nfs/dbraw/zinc/41/21/11/1043412111.db2.gz JXAZKBHYBLHAEA-CALCHBBNSA-N 1 2 354.429 2.590 20 30 FFEDLO Cn1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(F)c(O)c2)cc1C#N ZINC001279656476 1043412118 /nfs/dbraw/zinc/41/21/18/1043412118.db2.gz JXAZKBHYBLHAEA-CALCHBBNSA-N 1 2 354.429 2.590 20 30 FFEDLO Cn1cc(C[N@@H+]2CCC23CN(Cc2ccc(C(C)(C)C)[nH]2)C3)cc1C#N ZINC001279662573 1043421946 /nfs/dbraw/zinc/42/19/46/1043421946.db2.gz PJWYWBUZCCNGJG-UHFFFAOYSA-N 1 2 351.498 2.983 20 30 FFEDLO Cn1cc(C[N@H+]2CCC23CN(Cc2ccc(C(C)(C)C)[nH]2)C3)cc1C#N ZINC001279662573 1043421952 /nfs/dbraw/zinc/42/19/52/1043421952.db2.gz PJWYWBUZCCNGJG-UHFFFAOYSA-N 1 2 351.498 2.983 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1F ZINC001309797924 1043531771 /nfs/dbraw/zinc/53/17/71/1043531771.db2.gz RRFQKMBJMGSPOP-SFHVURJKSA-N 1 2 370.409 2.614 20 30 FFEDLO COc1ccc(Cl)c(C[NH+]2CC3(C[C@@H]3C(=O)N3CC(CC#N)C3)C2)c1 ZINC001279870953 1043809338 /nfs/dbraw/zinc/80/93/38/1043809338.db2.gz OXZOIVFPKRATJO-MRXNPFEDSA-N 1 2 359.857 2.543 20 30 FFEDLO CC1=C[C@H](C)[C@H](C[N@@H+]2Cc3[nH]nc(C(=O)N4CC(CC#N)C4)c3C2)CC1 ZINC001280232568 1044434083 /nfs/dbraw/zinc/43/40/83/1044434083.db2.gz WOQFVLDRDOYNBP-HOCLYGCPSA-N 1 2 353.470 2.703 20 30 FFEDLO CC1=C[C@H](C)[C@H](C[N@H+]2Cc3[nH]nc(C(=O)N4CC(CC#N)C4)c3C2)CC1 ZINC001280232568 1044434093 /nfs/dbraw/zinc/43/40/93/1044434093.db2.gz WOQFVLDRDOYNBP-HOCLYGCPSA-N 1 2 353.470 2.703 20 30 FFEDLO C[C@H]1c2nc(C(=O)N3CC(CC#N)C3)cn2CC[N@H+]1C[C@H]1CC=CCC1 ZINC001280237440 1044447535 /nfs/dbraw/zinc/44/75/35/1044447535.db2.gz RKPKYUPOQQZTHS-HOTGVXAUSA-N 1 2 353.470 2.602 20 30 FFEDLO C[C@H]1c2nc(C(=O)N3CC(CC#N)C3)cn2CC[N@@H+]1C[C@H]1CC=CCC1 ZINC001280237440 1044447539 /nfs/dbraw/zinc/44/75/39/1044447539.db2.gz RKPKYUPOQQZTHS-HOTGVXAUSA-N 1 2 353.470 2.602 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2cccc(CC)c2)[C@@H]1C ZINC001316788254 1044973365 /nfs/dbraw/zinc/97/33/65/1044973365.db2.gz POMVAUGUOPQFMA-QAPCUYQASA-N 1 2 357.498 2.979 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)Nc2cccc(CC)c2)[C@@H]1C ZINC001316788254 1044973374 /nfs/dbraw/zinc/97/33/74/1044973374.db2.gz POMVAUGUOPQFMA-QAPCUYQASA-N 1 2 357.498 2.979 20 30 FFEDLO C[NH+]1CCN(c2ccc(/C=C/C(=O)c3cc(O)ccc3O)cc2F)CC1 ZINC001319587963 1045206197 /nfs/dbraw/zinc/20/61/97/1045206197.db2.gz NBKJJVPVKCNAHH-ZZXKWVIFSA-N 1 2 356.397 2.885 20 30 FFEDLO Cc1cc(C[N@@H+]2CCCN(c3nc4c(cc3C#N)CCCC4)CC2)no1 ZINC001319746088 1045260266 /nfs/dbraw/zinc/26/02/66/1045260266.db2.gz RBBQJICMMXEIFH-UHFFFAOYSA-N 1 2 351.454 2.841 20 30 FFEDLO Cc1cc(C[N@H+]2CCCN(c3nc4c(cc3C#N)CCCC4)CC2)no1 ZINC001319746088 1045260272 /nfs/dbraw/zinc/26/02/72/1045260272.db2.gz RBBQJICMMXEIFH-UHFFFAOYSA-N 1 2 351.454 2.841 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC001539430866 1070637014 /nfs/dbraw/zinc/63/70/14/1070637014.db2.gz MWSULHCITQDKBN-RTBURBONSA-N 1 2 373.545 2.752 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 ZINC001320038594 1045334738 /nfs/dbraw/zinc/33/47/38/1045334738.db2.gz BWEJHLMNIFERRT-GOSISDBHSA-N 1 2 354.454 2.705 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 ZINC001320038594 1045334742 /nfs/dbraw/zinc/33/47/42/1045334742.db2.gz BWEJHLMNIFERRT-GOSISDBHSA-N 1 2 354.454 2.705 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001320165628 1045359890 /nfs/dbraw/zinc/35/98/90/1045359890.db2.gz OABXRKGUNQRFTG-IEBWSBKVSA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001320165628 1045359893 /nfs/dbraw/zinc/35/98/93/1045359893.db2.gz OABXRKGUNQRFTG-IEBWSBKVSA-N 1 2 373.453 2.730 20 30 FFEDLO C=CCCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001282203813 1045418468 /nfs/dbraw/zinc/41/84/68/1045418468.db2.gz ODJZYKZUIBVGOD-QAPCUYQASA-N 1 2 368.481 2.966 20 30 FFEDLO C=CCO[C@H]1CCN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC001323758157 1045715155 /nfs/dbraw/zinc/71/51/55/1045715155.db2.gz VZEYWIOXMYUHOK-APWZRJJASA-N 1 2 359.470 2.889 20 30 FFEDLO C=CC(C)(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001282768194 1046174857 /nfs/dbraw/zinc/17/48/57/1046174857.db2.gz OUBKLDGBGIDHMM-ZACQAIPSSA-N 1 2 358.486 2.514 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(N3CCCC3)cc2)n1 ZINC001324876545 1046267674 /nfs/dbraw/zinc/26/76/74/1046267674.db2.gz HBNZXYRYQLLIPK-UHFFFAOYSA-N 1 2 352.482 2.765 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(N3CCCC3)cc2)n1 ZINC001324876545 1046267685 /nfs/dbraw/zinc/26/76/85/1046267685.db2.gz HBNZXYRYQLLIPK-UHFFFAOYSA-N 1 2 352.482 2.765 20 30 FFEDLO C[C@@H](C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)n1cc[nH+]c1 ZINC001324969128 1046314389 /nfs/dbraw/zinc/31/43/89/1046314389.db2.gz ZHOGOWYEMJNUMS-YOEHRIQHSA-N 1 2 357.845 2.507 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2CC2CCCC2)CC1 ZINC001286475188 1047121263 /nfs/dbraw/zinc/12/12/63/1047121263.db2.gz SNZJAGGGGRZIMM-UHFFFAOYSA-N 1 2 353.470 2.792 20 30 FFEDLO C=CC1CCN(c2nnc([C@@H]3CCOC3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001286663265 1047149708 /nfs/dbraw/zinc/14/97/08/1047149708.db2.gz JSMNXDQNDBANJF-MRXNPFEDSA-N 1 2 369.469 2.636 20 30 FFEDLO C=CCN(CC=C)c1nnc(C2CCC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001286756705 1047171985 /nfs/dbraw/zinc/17/19/85/1047171985.db2.gz SRGKTGAOXZUNBX-UHFFFAOYSA-N 1 2 357.502 2.589 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](CN2Cc3ccc(Br)cc3C2=O)C1 ZINC001327190739 1047227053 /nfs/dbraw/zinc/22/70/53/1047227053.db2.gz KZYXJTASAWTRSY-AWEZNQCLSA-N 1 2 351.244 2.639 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](CN2Cc3ccc(Br)cc3C2=O)C1 ZINC001327190739 1047227063 /nfs/dbraw/zinc/22/70/63/1047227063.db2.gz KZYXJTASAWTRSY-AWEZNQCLSA-N 1 2 351.244 2.639 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC001287924428 1047374481 /nfs/dbraw/zinc/37/44/81/1047374481.db2.gz MNQMREMECXZFLD-TZIWHRDSSA-N 1 2 360.498 2.541 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC001287924428 1047374489 /nfs/dbraw/zinc/37/44/89/1047374489.db2.gz MNQMREMECXZFLD-TZIWHRDSSA-N 1 2 360.498 2.541 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001288719983 1047501738 /nfs/dbraw/zinc/50/17/38/1047501738.db2.gz GPCNSWNBYYQNRG-KBAYOESNSA-N 1 2 370.497 2.781 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001288719983 1047501746 /nfs/dbraw/zinc/50/17/46/1047501746.db2.gz GPCNSWNBYYQNRG-KBAYOESNSA-N 1 2 370.497 2.781 20 30 FFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC001327432213 1047891881 /nfs/dbraw/zinc/89/18/81/1047891881.db2.gz YALPFEXUFKZJDE-KDURUIRLSA-N 1 2 370.497 2.612 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC001333420162 1048895493 /nfs/dbraw/zinc/89/54/93/1048895493.db2.gz GWJMMYXLQDPWPO-FPOVZHCZSA-N 1 2 350.418 2.756 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC001333420162 1048895497 /nfs/dbraw/zinc/89/54/97/1048895497.db2.gz GWJMMYXLQDPWPO-FPOVZHCZSA-N 1 2 350.418 2.756 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001291995336 1049045606 /nfs/dbraw/zinc/04/56/06/1049045606.db2.gz ROUVNONSNXWWPD-JJDSTIRJSA-N 1 2 372.513 2.777 20 30 FFEDLO C=CCn1c(N(Cc2cccs2)C2CC2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001339853562 1050270877 /nfs/dbraw/zinc/27/08/77/1050270877.db2.gz IOVWKEYMHWSLBR-HNAYVOBHSA-N 1 2 373.526 2.606 20 30 FFEDLO C=CCn1c(N(Cc2cccs2)C2CC2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339853562 1050270893 /nfs/dbraw/zinc/27/08/93/1050270893.db2.gz IOVWKEYMHWSLBR-HNAYVOBHSA-N 1 2 373.526 2.606 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1Cc2ccccc2O[C@@H](C)C1 ZINC001339879808 1050296310 /nfs/dbraw/zinc/29/63/10/1050296310.db2.gz CWWSQWPTURGKFO-HNNXBMFYSA-N 1 2 364.453 2.576 20 30 FFEDLO C=C1CC(C)(C(=O)NCC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001297901316 1050325121 /nfs/dbraw/zinc/32/51/21/1050325121.db2.gz ZJZQMZAIJJWRFP-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CC(C)(C(=O)NCC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001297901316 1050325154 /nfs/dbraw/zinc/32/51/54/1050325154.db2.gz ZJZQMZAIJJWRFP-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)CCC(F)(F)F ZINC001340195785 1050604304 /nfs/dbraw/zinc/60/43/04/1050604304.db2.gz OZLDCJHPQGHDEJ-KBPBESRZSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)CCC(F)(F)F ZINC001340195785 1050604308 /nfs/dbraw/zinc/60/43/08/1050604308.db2.gz OZLDCJHPQGHDEJ-KBPBESRZSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCc2sccc2C1 ZINC001340205232 1050614114 /nfs/dbraw/zinc/61/41/14/1050614114.db2.gz LHEYAKDYCOYWKG-MRXNPFEDSA-N 1 2 373.526 2.870 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCc2sccc2C1 ZINC001340205232 1050614120 /nfs/dbraw/zinc/61/41/20/1050614120.db2.gz LHEYAKDYCOYWKG-MRXNPFEDSA-N 1 2 373.526 2.870 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@H](C)CCSC ZINC001342018115 1050615454 /nfs/dbraw/zinc/61/54/54/1050615454.db2.gz ALJJZDLVDKFTNN-CVEARBPZSA-N 1 2 367.563 2.824 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@H](C)CCSC ZINC001342018115 1050615457 /nfs/dbraw/zinc/61/54/57/1050615457.db2.gz ALJJZDLVDKFTNN-CVEARBPZSA-N 1 2 367.563 2.824 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@H](OCC)C1 ZINC001340516625 1050908749 /nfs/dbraw/zinc/90/87/49/1050908749.db2.gz MYCBMDGLHVOBEA-DLBZAZTESA-N 1 2 358.490 2.911 20 30 FFEDLO C#CC[C@@H](CCOC)NC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001340526160 1050918620 /nfs/dbraw/zinc/91/86/20/1050918620.db2.gz MRXKURXNHMRBMA-IRXDYDNUSA-N 1 2 360.502 2.956 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N(CC)Cc1cnn(C)c1 ZINC001342340526 1050934816 /nfs/dbraw/zinc/93/48/16/1050934816.db2.gz DAGALZDFKULXFE-UHFFFAOYSA-N 1 2 357.506 2.600 20 30 FFEDLO C=CCNc1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)s1 ZINC001301751800 1050972653 /nfs/dbraw/zinc/97/26/53/1050972653.db2.gz KGTFSZHHPOIURS-HOTGVXAUSA-N 1 2 354.479 2.840 20 30 FFEDLO C=CCNc1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)s1 ZINC001301751800 1050972662 /nfs/dbraw/zinc/97/26/62/1050972662.db2.gz KGTFSZHHPOIURS-HOTGVXAUSA-N 1 2 354.479 2.840 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc([C@]2(C)C[C@@H](O)C[N@H+]2C)n1CC=C ZINC001342386224 1050980409 /nfs/dbraw/zinc/98/04/09/1050980409.db2.gz TXPUPERZYXMYRC-BEFAXECRSA-N 1 2 373.526 2.630 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc([C@]2(C)C[C@@H](O)C[N@@H+]2C)n1CC=C ZINC001342386224 1050980416 /nfs/dbraw/zinc/98/04/16/1050980416.db2.gz TXPUPERZYXMYRC-BEFAXECRSA-N 1 2 373.526 2.630 20 30 FFEDLO N#Cc1ccc(Nc2cccc(C(=O)N3CC[NH2+][C@H](c4cn[nH]c4)C3)c2)cc1 ZINC001302058600 1051034372 /nfs/dbraw/zinc/03/43/72/1051034372.db2.gz CTOMLNJWCCXYPV-FQEVSTJZSA-N 1 2 372.432 2.812 20 30 FFEDLO N#Cc1ccccc1-c1ccccc1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001302059066 1051034946 /nfs/dbraw/zinc/03/49/46/1051034946.db2.gz IMJKJNJDVXFEGJ-FQEVSTJZSA-N 1 2 357.417 2.735 20 30 FFEDLO C=CCn1c(N(C)c2cccc(C)c2C)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340703097 1051067588 /nfs/dbraw/zinc/06/75/88/1051067588.db2.gz UVYNABSOHXNWLW-UZLBHIALSA-N 1 2 355.486 2.760 20 30 FFEDLO C=CCn1c(N(C)c2cccc(C)c2C)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340703097 1051067598 /nfs/dbraw/zinc/06/75/98/1051067598.db2.gz UVYNABSOHXNWLW-UZLBHIALSA-N 1 2 355.486 2.760 20 30 FFEDLO C=C(C)Cn1c(N(C)c2ccc(C)cc2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001342522360 1051125330 /nfs/dbraw/zinc/12/53/30/1051125330.db2.gz LIUZVQMQMJZSPZ-XLIONFOSSA-N 1 2 355.486 2.842 20 30 FFEDLO C=C(C)Cn1c(N(C)c2ccc(C)cc2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001342522360 1051125336 /nfs/dbraw/zinc/12/53/36/1051125336.db2.gz LIUZVQMQMJZSPZ-XLIONFOSSA-N 1 2 355.486 2.842 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C(C)(C)C)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001342523076 1051126085 /nfs/dbraw/zinc/12/60/85/1051126085.db2.gz PDWAUQZHIHPTGF-FTRWYGJKSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C(C)(C)C)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001342523076 1051126093 /nfs/dbraw/zinc/12/60/93/1051126093.db2.gz PDWAUQZHIHPTGF-FTRWYGJKSA-N 1 2 361.534 2.638 20 30 FFEDLO N#Cc1cccc(-n2ccc(C(=O)N3CCC(Nc4cccc[nH+]4)CC3)n2)c1 ZINC001303749626 1051439447 /nfs/dbraw/zinc/43/94/47/1051439447.db2.gz WRXRVKNCAJDIOP-UHFFFAOYSA-N 1 2 372.432 2.856 20 30 FFEDLO C=CCN(C)c1nnc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1Cc1ccccc1 ZINC001341115951 1051464572 /nfs/dbraw/zinc/46/45/72/1051464572.db2.gz ZTGCXTDAQDVNFM-OALUTQOASA-N 1 2 367.497 2.874 20 30 FFEDLO C=CCN(C)c1nnc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1Cc1ccccc1 ZINC001341115951 1051464579 /nfs/dbraw/zinc/46/45/79/1051464579.db2.gz ZTGCXTDAQDVNFM-OALUTQOASA-N 1 2 367.497 2.874 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)CC(F)(F)F ZINC001342999656 1051616419 /nfs/dbraw/zinc/61/64/19/1051616419.db2.gz OCKDFPHVOIZTJX-ZIAGYGMSSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)CC(F)(F)F ZINC001342999656 1051616424 /nfs/dbraw/zinc/61/64/24/1051616424.db2.gz OCKDFPHVOIZTJX-ZIAGYGMSSA-N 1 2 373.423 2.779 20 30 FFEDLO Cc1nnc(N(C)Cc2cccc(C#N)c2)n1CCCNc1cccc[nH+]1 ZINC001304795387 1051702241 /nfs/dbraw/zinc/70/22/41/1051702241.db2.gz FNSOUBHDZHJUCJ-UHFFFAOYSA-N 1 2 361.453 2.992 20 30 FFEDLO C[C@@H](C(=O)[C@H](C#N)c1nc(N)c2ccccc2n1)[N@@H+]1CCc2ccccc2C1 ZINC001343354878 1052179781 /nfs/dbraw/zinc/17/97/81/1052179781.db2.gz OEZQAPSERZLYGX-KSSFIOAISA-N 1 2 371.444 2.835 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1CC(C)C ZINC001343467301 1052250092 /nfs/dbraw/zinc/25/00/92/1052250092.db2.gz CWXMKDOSISMQBR-ZWKOTPCHSA-N 1 2 359.518 2.708 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1CC(C)C ZINC001343467301 1052250098 /nfs/dbraw/zinc/25/00/98/1052250098.db2.gz CWXMKDOSISMQBR-ZWKOTPCHSA-N 1 2 359.518 2.708 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1CC(C)C ZINC001343467297 1052250135 /nfs/dbraw/zinc/25/01/35/1052250135.db2.gz CWXMKDOSISMQBR-QZTJIDSGSA-N 1 2 359.518 2.708 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1CC(C)C ZINC001343467297 1052250142 /nfs/dbraw/zinc/25/01/42/1052250142.db2.gz CWXMKDOSISMQBR-QZTJIDSGSA-N 1 2 359.518 2.708 20 30 FFEDLO CC(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1Cc2cccc(C#N)c2C1 ZINC001345150550 1052292896 /nfs/dbraw/zinc/29/28/96/1052292896.db2.gz RCLCYROGQDTTQD-UHFFFAOYSA-N 1 2 361.453 2.650 20 30 FFEDLO C=C(C)Cn1c([C@H](C)SC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001343760351 1052405565 /nfs/dbraw/zinc/40/55/65/1052405565.db2.gz OJVPPROSTDRMOP-HNNXBMFYSA-N 1 2 358.515 3.000 20 30 FFEDLO CCOc1ccc(C[N@H+](C)Cn2cc3c(c(C#N)c2=O)CCC3)cc1OC ZINC001343771467 1052410642 /nfs/dbraw/zinc/41/06/42/1052410642.db2.gz VMEZHEGTNIGBEN-UHFFFAOYSA-N 1 2 367.449 2.705 20 30 FFEDLO CCOc1ccc(C[N@@H+](C)Cn2cc3c(c(C#N)c2=O)CCC3)cc1OC ZINC001343771467 1052410645 /nfs/dbraw/zinc/41/06/45/1052410645.db2.gz VMEZHEGTNIGBEN-UHFFFAOYSA-N 1 2 367.449 2.705 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001308615543 1052477330 /nfs/dbraw/zinc/47/73/30/1052477330.db2.gz QFSAAIXAEZLKCH-UHFFFAOYSA-N 1 2 371.393 2.829 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001308615543 1052477331 /nfs/dbraw/zinc/47/73/31/1052477331.db2.gz QFSAAIXAEZLKCH-UHFFFAOYSA-N 1 2 371.393 2.829 20 30 FFEDLO C=CCN(C)c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1C[C@H]1CCOC1 ZINC001345569323 1052516567 /nfs/dbraw/zinc/51/65/67/1052516567.db2.gz ROPSLPXQNHYCQW-IAGOWNOFSA-N 1 2 358.490 2.769 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)CCCCC1 ZINC001343996978 1052536758 /nfs/dbraw/zinc/53/67/58/1052536758.db2.gz NAALWKFPXJBWCF-SJLPKXTDSA-N 1 2 370.497 2.538 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(C)Cc1c(C)nn(CC)c1C ZINC001345984435 1052695462 /nfs/dbraw/zinc/69/54/62/1052695462.db2.gz XMBMFKOCEYVDIT-UHFFFAOYSA-N 1 2 371.533 2.920 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CC(F)(F)F ZINC001346188076 1052781543 /nfs/dbraw/zinc/78/15/43/1052781543.db2.gz PQTMCIUVVYWJIE-UHFFFAOYSA-N 1 2 370.423 2.946 20 30 FFEDLO C#CC1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)CC1 ZINC001346601166 1053145684 /nfs/dbraw/zinc/14/56/84/1053145684.db2.gz BROSYSLKKQTYAM-UHFFFAOYSA-N 1 2 366.513 2.631 20 30 FFEDLO CNc1cc(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc[nH+]1 ZINC001346607564 1053153547 /nfs/dbraw/zinc/15/35/47/1053153547.db2.gz VHYPWIFARCTKRZ-UHFFFAOYSA-N 1 2 365.437 2.748 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCOC1 ZINC001346608239 1053153965 /nfs/dbraw/zinc/15/39/65/1053153965.db2.gz HIQLUTDRAWHPQQ-QKLQHJQFSA-N 1 2 372.517 2.601 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCOC1 ZINC001346608239 1053153969 /nfs/dbraw/zinc/15/39/69/1053153969.db2.gz HIQLUTDRAWHPQQ-QKLQHJQFSA-N 1 2 372.517 2.601 20 30 FFEDLO Cc1ncc(C(=O)OCC#Cc2csc(C[NH+]3CCOCC3)c2)s1 ZINC001346720373 1053255746 /nfs/dbraw/zinc/25/57/46/1053255746.db2.gz QLWPZLNSIANZMG-UHFFFAOYSA-N 1 2 362.476 2.554 20 30 FFEDLO C=C1CCN(c2nnc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)n2CC2CC2)CC1 ZINC001346811182 1053334079 /nfs/dbraw/zinc/33/40/79/1053334079.db2.gz ZSGBNGAMSNIABB-QZTJIDSGSA-N 1 2 357.502 2.770 20 30 FFEDLO C=C1CCN(c2nnc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)n2CC2CC2)CC1 ZINC001346811182 1053334094 /nfs/dbraw/zinc/33/40/94/1053334094.db2.gz ZSGBNGAMSNIABB-QZTJIDSGSA-N 1 2 357.502 2.770 20 30 FFEDLO C[C@@]1(C#N)CCCN(c2nnc(C[NH+]3CCCC3)n2C[C@H]2CCCCO2)C1 ZINC001347024178 1053545954 /nfs/dbraw/zinc/54/59/54/1053545954.db2.gz REFVWLVULMZTDF-XLIONFOSSA-N 1 2 372.517 2.573 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](C[C@H]3CCC[C@@H](C(F)(F)F)O3)CC2)n1 ZINC001335803303 1053575149 /nfs/dbraw/zinc/57/51/49/1053575149.db2.gz YANHKDXERIDXGI-CABCVRRESA-N 1 2 354.376 2.575 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](C[C@@H]3CCC[C@@H](C(F)(F)F)O3)CC2)n1 ZINC001335803306 1053575345 /nfs/dbraw/zinc/57/53/45/1053575345.db2.gz YANHKDXERIDXGI-GJZGRUSLSA-N 1 2 354.376 2.575 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001336448015 1053997823 /nfs/dbraw/zinc/99/78/23/1053997823.db2.gz WRPLHSRRRWPWTA-HZPDHXFCSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001336448015 1053997833 /nfs/dbraw/zinc/99/78/33/1053997833.db2.gz WRPLHSRRRWPWTA-HZPDHXFCSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CC1(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2)C3)CCCCC1 ZINC001347652544 1054194697 /nfs/dbraw/zinc/19/46/97/1054194697.db2.gz HAEAIWRBLXKQOI-KURKYZTESA-N 1 2 370.497 2.658 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@H](c2nnc(N3CCC[C@@H](CC#N)C3)n2CC2CC2)C1 ZINC001348095204 1054644633 /nfs/dbraw/zinc/64/46/33/1054644633.db2.gz QGDWXJDIXWYROO-WMZOPIPTSA-N 1 2 372.517 2.600 20 30 FFEDLO CC(C)[N@H+]1CCO[C@H](c2nnc(N3CCC[C@@H](CC#N)C3)n2CC2CC2)C1 ZINC001348095204 1054644642 /nfs/dbraw/zinc/64/46/42/1054644642.db2.gz QGDWXJDIXWYROO-WMZOPIPTSA-N 1 2 372.517 2.600 20 30 FFEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001348105319 1054654853 /nfs/dbraw/zinc/65/48/53/1054654853.db2.gz SFOPQNJCICJAQH-UWVAXJGDSA-N 1 2 358.486 2.545 20 30 FFEDLO C#C[C@H](NC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)[C@@H]1CCCO1 ZINC001348676625 1054857549 /nfs/dbraw/zinc/85/75/49/1054857549.db2.gz SSZGIEOTZJOGMW-RYRKJORJSA-N 1 2 358.486 2.708 20 30 FFEDLO Cc1cc(C)c(CNC(=O)C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c[nH+]1 ZINC001348781073 1054924629 /nfs/dbraw/zinc/92/46/29/1054924629.db2.gz QHGNXXMKQQCTMG-UHFFFAOYSA-N 1 2 364.449 2.624 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@]2(CC2(F)F)C1 ZINC001338139707 1055264759 /nfs/dbraw/zinc/26/47/59/1055264759.db2.gz WBADQNVTVSMDMO-KRWDZBQOSA-N 1 2 364.444 2.534 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(c2ccco2)CC1 ZINC001338139758 1055264944 /nfs/dbraw/zinc/26/49/44/1055264944.db2.gz YMLAYQARSADZIS-UHFFFAOYSA-N 1 2 368.485 2.885 20 30 FFEDLO COCCN(CCC#N)c1nnc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1C ZINC001338256405 1055364376 /nfs/dbraw/zinc/36/43/76/1055364376.db2.gz RDTRWQGKSAZPJC-GOSISDBHSA-N 1 2 368.485 2.519 20 30 FFEDLO COCCN(CCC#N)c1nnc([C@H]2CCC[N@H+]2Cc2ccccc2)n1C ZINC001338256405 1055364392 /nfs/dbraw/zinc/36/43/92/1055364392.db2.gz RDTRWQGKSAZPJC-GOSISDBHSA-N 1 2 368.485 2.519 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@H](C2CC2)C1 ZINC001357152678 1055797610 /nfs/dbraw/zinc/79/76/10/1055797610.db2.gz QGEWUUOLTHGHAO-ROUUACIJSA-N 1 2 359.518 2.872 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@H](C2CC2)C1 ZINC001357152678 1055797620 /nfs/dbraw/zinc/79/76/20/1055797620.db2.gz QGEWUUOLTHGHAO-ROUUACIJSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001339090519 1056083464 /nfs/dbraw/zinc/08/34/64/1056083464.db2.gz ASVHKAHGFDIUGD-UHFFFAOYSA-N 1 2 358.490 2.572 20 30 FFEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001339299977 1056304913 /nfs/dbraw/zinc/30/49/13/1056304913.db2.gz HOSJPFPJXUDGLO-DLBZAZTESA-N 1 2 360.502 2.815 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001339369251 1056383461 /nfs/dbraw/zinc/38/34/61/1056383461.db2.gz YRUZXVBXIJCQOS-QGZVFWFLSA-N 1 2 368.485 2.978 20 30 FFEDLO CN(Cc1ccc(F)cc1)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001339628817 1056654411 /nfs/dbraw/zinc/65/44/11/1056654411.db2.gz PEFRPTGLEYNNKR-UHFFFAOYSA-N 1 2 356.449 2.684 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CC[C@@H](OCC)C(C)C)CC1 ZINC001359029176 1056664993 /nfs/dbraw/zinc/66/49/93/1056664993.db2.gz QUIBPHOTANCHJM-GOSISDBHSA-N 1 2 361.534 2.608 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCC2=CCCCC2)CC1 ZINC001359034327 1056666743 /nfs/dbraw/zinc/66/67/43/1056666743.db2.gz LYGROGGKUTVYMQ-UHFFFAOYSA-N 1 2 364.497 2.919 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1C1CCC1)C1CC[NH+](Cc2nccc(C)n2)CC1 ZINC001500051995 1058431901 /nfs/dbraw/zinc/43/19/01/1058431901.db2.gz OWQJKUMLBBGXJW-VQTJNVASSA-N 1 2 366.509 2.647 20 30 FFEDLO COCCN(CCC#N)c1nnc([C@@H]2CCC[N@@H+]2C)n1Cc1cccs1 ZINC001518629102 1058446188 /nfs/dbraw/zinc/44/61/88/1058446188.db2.gz GTZNYUPSMNNYMM-INIZCTEOSA-N 1 2 374.514 2.521 20 30 FFEDLO COCCN(CCC#N)c1nnc([C@@H]2CCC[N@H+]2C)n1Cc1cccs1 ZINC001518629102 1058446196 /nfs/dbraw/zinc/44/61/96/1058446196.db2.gz GTZNYUPSMNNYMM-INIZCTEOSA-N 1 2 374.514 2.521 20 30 FFEDLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1 ZINC001446383623 1058516857 /nfs/dbraw/zinc/51/68/57/1058516857.db2.gz TXGPIDQBKGMPAZ-OAHLLOKOSA-N 1 2 373.453 2.559 20 30 FFEDLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1 ZINC001446383623 1058516878 /nfs/dbraw/zinc/51/68/78/1058516878.db2.gz TXGPIDQBKGMPAZ-OAHLLOKOSA-N 1 2 373.453 2.559 20 30 FFEDLO C=CCO[C@@H]1CCN(c2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)C1 ZINC001354359272 1058898864 /nfs/dbraw/zinc/89/88/64/1058898864.db2.gz SDSHHPXZEWMFAP-LJQANCHMSA-N 1 2 367.497 2.704 20 30 FFEDLO CCOCc1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001503004880 1058921013 /nfs/dbraw/zinc/92/10/13/1058921013.db2.gz RQXLGQXZXPYPRE-HZPDHXFCSA-N 1 2 371.489 2.636 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@@H](C)[N@H+](C)Cc2ccccc2)n1CCOC ZINC001514680314 1059051838 /nfs/dbraw/zinc/05/18/38/1059051838.db2.gz KLXGQXKXJZNRGM-DLBZAZTESA-N 1 2 355.486 2.575 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@@H](C)[N@@H+](C)Cc2ccccc2)n1CCOC ZINC001514680314 1059051855 /nfs/dbraw/zinc/05/18/55/1059051855.db2.gz KLXGQXKXJZNRGM-DLBZAZTESA-N 1 2 355.486 2.575 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@H](C)[N@H+](C)Cc2ccccc2)n1CCOC ZINC001514680318 1059052287 /nfs/dbraw/zinc/05/22/87/1059052287.db2.gz KLXGQXKXJZNRGM-IRXDYDNUSA-N 1 2 355.486 2.575 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@H](C)[N@@H+](C)Cc2ccccc2)n1CCOC ZINC001514680318 1059052309 /nfs/dbraw/zinc/05/23/09/1059052309.db2.gz KLXGQXKXJZNRGM-IRXDYDNUSA-N 1 2 355.486 2.575 20 30 FFEDLO COc1cc[nH+]cc1Cn1c(CC(C)C)nnc1N1CCC(C#N)CC1 ZINC001504459660 1059183277 /nfs/dbraw/zinc/18/32/77/1059183277.db2.gz QWBNLIPSIVZPAV-UHFFFAOYSA-N 1 2 354.458 2.668 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001300682885 1059318884 /nfs/dbraw/zinc/31/88/84/1059318884.db2.gz KLEAXQONYLKZBG-GJZGRUSLSA-N 1 2 355.408 2.635 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)CCC(F)(F)F ZINC001520252401 1059536614 /nfs/dbraw/zinc/53/66/14/1059536614.db2.gz MKHZREXJMNHDNH-CYBMUJFWSA-N 1 2 361.412 2.634 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)CCC(F)(F)F ZINC001520252401 1059536635 /nfs/dbraw/zinc/53/66/35/1059536635.db2.gz MKHZREXJMNHDNH-CYBMUJFWSA-N 1 2 361.412 2.634 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1ccccc1 ZINC001520252045 1059536767 /nfs/dbraw/zinc/53/67/67/1059536767.db2.gz GLVNHLPRGFMEAC-GOSISDBHSA-N 1 2 355.486 2.882 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1ccccc1 ZINC001520252045 1059536781 /nfs/dbraw/zinc/53/67/81/1059536781.db2.gz GLVNHLPRGFMEAC-GOSISDBHSA-N 1 2 355.486 2.882 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(Cc1ccc(F)cc1)C1CC1 ZINC001520289662 1059574572 /nfs/dbraw/zinc/57/45/72/1059574572.db2.gz PYNGWBDWXWWQFE-MSOLQXFVSA-N 1 2 371.460 2.510 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(Cc1ccc(F)cc1)C1CC1 ZINC001520289662 1059574592 /nfs/dbraw/zinc/57/45/92/1059574592.db2.gz PYNGWBDWXWWQFE-MSOLQXFVSA-N 1 2 371.460 2.510 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CC[C@@H](F)C2)CC1 ZINC001507720807 1059700790 /nfs/dbraw/zinc/70/07/90/1059700790.db2.gz MVMOCVMUJOPBJZ-IAGOWNOFSA-N 1 2 371.460 2.740 20 30 FFEDLO C=CCn1c([C@@H](C)C2CCC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001520516415 1059757144 /nfs/dbraw/zinc/75/71/44/1059757144.db2.gz RMGWQMDURSZLBB-HNNXBMFYSA-N 1 2 367.501 2.793 20 30 FFEDLO C[C@H](C(=O)[C@@H](C#N)c1nccn1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001515838442 1059829816 /nfs/dbraw/zinc/82/98/16/1059829816.db2.gz TUNFZNLRIVREDO-VQIMIIECSA-N 1 2 350.466 2.940 20 30 FFEDLO C[C@H](C(=O)[C@H](C#N)c1nccn1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001515838424 1059831600 /nfs/dbraw/zinc/83/16/00/1059831600.db2.gz TUNFZNLRIVREDO-APWZRJJASA-N 1 2 350.466 2.940 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 ZINC001455701057 1059876095 /nfs/dbraw/zinc/87/60/95/1059876095.db2.gz AKQNSVWEYXMTNO-MRXNPFEDSA-N 1 2 357.454 2.700 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 ZINC001455701057 1059876129 /nfs/dbraw/zinc/87/61/29/1059876129.db2.gz AKQNSVWEYXMTNO-MRXNPFEDSA-N 1 2 357.454 2.700 20 30 FFEDLO C#CC[C@@H](CC)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1CC=C ZINC001520649723 1059917278 /nfs/dbraw/zinc/91/72/78/1059917278.db2.gz QNSDXZWECQTISO-QGZVFWFLSA-N 1 2 368.485 2.600 20 30 FFEDLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C=NNCCCn1cc[nH+]c1 ZINC000848417881 1059973419 /nfs/dbraw/zinc/97/34/19/1059973419.db2.gz GSZYOWNIKLYSPW-UHFFFAOYSA-N 1 2 358.396 2.978 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001510261071 1060189469 /nfs/dbraw/zinc/18/94/69/1060189469.db2.gz GRADNMBUQWHQPW-BZUAXINKSA-N 1 2 360.502 2.763 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001510261071 1060189478 /nfs/dbraw/zinc/18/94/78/1060189478.db2.gz GRADNMBUQWHQPW-BZUAXINKSA-N 1 2 360.502 2.763 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@@H]1C ZINC001520956835 1060245013 /nfs/dbraw/zinc/24/50/13/1060245013.db2.gz ZUOUKNDLFLLMHJ-IKGGRYGDSA-N 1 2 360.502 2.788 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCCc2sccc2C1 ZINC001355479566 1060273433 /nfs/dbraw/zinc/27/34/33/1060273433.db2.gz FSGLSTLHMZQGLT-UHFFFAOYSA-N 1 2 370.526 2.922 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001355876582 1060685435 /nfs/dbraw/zinc/68/54/35/1060685435.db2.gz ODBRHORXSMTHPD-FJIDUMEYSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001355876582 1060685442 /nfs/dbraw/zinc/68/54/42/1060685442.db2.gz ODBRHORXSMTHPD-FJIDUMEYSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)[C@H](C)c1ccccc1C ZINC001355919369 1060727799 /nfs/dbraw/zinc/72/77/99/1060727799.db2.gz ISCSBKIDWQBWID-NUJGCVRESA-N 1 2 355.486 2.707 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)[C@H](C)c1ccccc1C ZINC001355919369 1060727811 /nfs/dbraw/zinc/72/78/11/1060727811.db2.gz ISCSBKIDWQBWID-NUJGCVRESA-N 1 2 355.486 2.707 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(CC1CC1)C1CCCCC1 ZINC001355920710 1060730152 /nfs/dbraw/zinc/73/01/52/1060730152.db2.gz WNLPJNSKVNTDDY-ROUUACIJSA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(CC1CC1)C1CCCCC1 ZINC001355920710 1060730166 /nfs/dbraw/zinc/73/01/66/1060730166.db2.gz WNLPJNSKVNTDDY-ROUUACIJSA-N 1 2 359.518 2.751 20 30 FFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543889208 1061086156 /nfs/dbraw/zinc/08/61/56/1061086156.db2.gz SFXUJZJAMPIZDV-LBPRGKRZSA-N 1 2 369.816 2.804 20 30 FFEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H]1C(C)(C)C ZINC001475652838 1061183528 /nfs/dbraw/zinc/18/35/28/1061183528.db2.gz AJEBLPGLZWXWPS-KRWDZBQOSA-N 1 2 363.527 2.839 20 30 FFEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H]1C(C)(C)C ZINC001475652838 1061183538 /nfs/dbraw/zinc/18/35/38/1061183538.db2.gz AJEBLPGLZWXWPS-KRWDZBQOSA-N 1 2 363.527 2.839 20 30 FFEDLO C=C(C)CCC(=O)N1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001527840399 1061649170 /nfs/dbraw/zinc/64/91/70/1061649170.db2.gz SFKWCWUINHJWRL-BRWVUGGUSA-N 1 2 358.486 2.757 20 30 FFEDLO C=C(C)CCC(=O)N1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001527840399 1061649179 /nfs/dbraw/zinc/64/91/79/1061649179.db2.gz SFKWCWUINHJWRL-BRWVUGGUSA-N 1 2 358.486 2.757 20 30 FFEDLO C=C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2nccc(C)n2)[C@@H]1C)c1ccccc1 ZINC001479729191 1062965382 /nfs/dbraw/zinc/96/53/82/1062965382.db2.gz MFOLKANCPXOYCK-NEWSRXKRSA-N 1 2 350.466 2.834 20 30 FFEDLO C=C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2nccc(C)n2)[C@@H]1C)c1ccccc1 ZINC001479729191 1062965401 /nfs/dbraw/zinc/96/54/01/1062965401.db2.gz MFOLKANCPXOYCK-NEWSRXKRSA-N 1 2 350.466 2.834 20 30 FFEDLO N#Cc1cc(Br)ccc1C(=O)NCCCNc1cccc[nH+]1 ZINC001465394977 1063076418 /nfs/dbraw/zinc/07/64/18/1063076418.db2.gz JHHSQABXWDGQSY-UHFFFAOYSA-N 1 2 359.227 2.948 20 30 FFEDLO C=CC1CCN(c2nnc(C[NH+]3CCCCC3)n2C[C@H]2CCCO2)CC1 ZINC001525295023 1063237780 /nfs/dbraw/zinc/23/77/80/1063237780.db2.gz SOXQAFPBOFLGJA-GOSISDBHSA-N 1 2 359.518 2.845 20 30 FFEDLO N#Cc1cnc(C(=O)NCCn2c[nH+]cc2-c2ccccc2)c(Cl)c1 ZINC001470712232 1064421441 /nfs/dbraw/zinc/42/14/41/1064421441.db2.gz FDZOZFUOGSUPOS-UHFFFAOYSA-N 1 2 351.797 2.900 20 30 FFEDLO C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)C2(Cc3cnn[nH]3)CCCCC2)C1 ZINC001575088118 1078105553 /nfs/dbraw/zinc/10/55/53/1078105553.db2.gz WJFSXJPZXSTPTM-INIZCTEOSA-N 1 2 359.518 2.795 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC001473839088 1065386598 /nfs/dbraw/zinc/38/65/98/1065386598.db2.gz RGXVSKOMAOHZAJ-IBGZPJMESA-N 1 2 353.378 2.919 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC001473839088 1065386601 /nfs/dbraw/zinc/38/66/01/1065386601.db2.gz RGXVSKOMAOHZAJ-IBGZPJMESA-N 1 2 353.378 2.919 20 30 FFEDLO N#Cc1ccc(NCC[NH2+]Cc2cc(Br)cc(F)c2O)nc1 ZINC001473925044 1065419700 /nfs/dbraw/zinc/41/97/00/1065419700.db2.gz DKHKDIHDMAVMMI-UHFFFAOYSA-N 1 2 365.206 2.762 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC(C)(C)C)s2)C1=O ZINC001474477255 1065530478 /nfs/dbraw/zinc/53/04/78/1065530478.db2.gz PDTRSKUYGOKOAJ-AWEZNQCLSA-N 1 2 350.484 2.922 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC(C)(C)C)s2)C1=O ZINC001474477255 1065530493 /nfs/dbraw/zinc/53/04/93/1065530493.db2.gz PDTRSKUYGOKOAJ-AWEZNQCLSA-N 1 2 350.484 2.922 20 30 FFEDLO C=CC(C)(C)CC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001580248559 1078774261 /nfs/dbraw/zinc/77/42/61/1078774261.db2.gz DRQAYHJZKIDCKM-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CC(C)(C)CC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001580248559 1078774266 /nfs/dbraw/zinc/77/42/66/1078774266.db2.gz DRQAYHJZKIDCKM-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CCCC(=O)N(C)CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC001581762836 1078998186 /nfs/dbraw/zinc/99/81/86/1078998186.db2.gz AAXQQKUKUXRBIH-ZWKOTPCHSA-N 1 2 363.546 2.628 20 30 FFEDLO CN(C)c1ccc(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2C(C)(C)C)c[nH+]1 ZINC001552836286 1075156591 /nfs/dbraw/zinc/15/65/91/1075156591.db2.gz FXYZEGVQPBXAPD-LJQANCHMSA-N 1 2 371.464 2.527 20 30 FFEDLO N#Cc1ccc(C(=O)Nc2ccc(NC3=[NH+]CCN3)c(Cl)c2)cc1O ZINC001559016738 1076115943 /nfs/dbraw/zinc/11/59/43/1076115943.db2.gz WWFITLBZNJONSX-UHFFFAOYSA-N 1 2 355.785 2.541 20 30 FFEDLO CCC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC001559734783 1076186367 /nfs/dbraw/zinc/18/63/67/1076186367.db2.gz WYUAHSWXWOQBOO-QGZVFWFLSA-N 1 2 362.470 2.546 20 30 FFEDLO CCC[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC001559734783 1076186370 /nfs/dbraw/zinc/18/63/70/1076186370.db2.gz WYUAHSWXWOQBOO-QGZVFWFLSA-N 1 2 362.470 2.546 20 30 FFEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001560184021 1076242886 /nfs/dbraw/zinc/24/28/86/1076242886.db2.gz CTEUVJXAYSTTKF-CVEARBPZSA-N 1 2 350.846 2.652 20 30 FFEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001560184021 1076242889 /nfs/dbraw/zinc/24/28/89/1076242889.db2.gz CTEUVJXAYSTTKF-CVEARBPZSA-N 1 2 350.846 2.652 20 30 FFEDLO COc1cc(C[NH+]2CCN(Cc3csc(C#N)c3)CC2)cc(OC)c1 ZINC001560690619 1076291836 /nfs/dbraw/zinc/29/18/36/1076291836.db2.gz ZMYPHOWYSMHBFI-UHFFFAOYSA-N 1 2 357.479 2.955 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC001564772076 1076658969 /nfs/dbraw/zinc/65/89/69/1076658969.db2.gz FMVYLSSDFAOQEL-QRQLOZEOSA-N 1 2 373.497 2.645 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC001564772076 1076658970 /nfs/dbraw/zinc/65/89/70/1076658970.db2.gz FMVYLSSDFAOQEL-QRQLOZEOSA-N 1 2 373.497 2.645 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2ncccn2)C[C@H]1c1ccccc1 ZINC001565882807 1076777345 /nfs/dbraw/zinc/77/73/45/1076777345.db2.gz MSTVIVOXFXYKPG-RBUKOAKNSA-N 1 2 350.466 2.917 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1c1ccccc1 ZINC001565882807 1076777349 /nfs/dbraw/zinc/77/73/49/1076777349.db2.gz MSTVIVOXFXYKPG-RBUKOAKNSA-N 1 2 350.466 2.917 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@@H+]1Cc1nnc(-c2occc2C)o1 ZINC001566011788 1076845306 /nfs/dbraw/zinc/84/53/06/1076845306.db2.gz GPZNZTZKSJJUQX-JKSUJKDBSA-N 1 2 368.437 2.521 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@H+]1Cc1nnc(-c2occc2C)o1 ZINC001566011788 1076845312 /nfs/dbraw/zinc/84/53/12/1076845312.db2.gz GPZNZTZKSJJUQX-JKSUJKDBSA-N 1 2 368.437 2.521 20 30 FFEDLO N#Cc1ccc(F)c(CNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)c1 ZINC001566030686 1076866727 /nfs/dbraw/zinc/86/67/27/1076866727.db2.gz AUAAZJWUUFDZGI-UHFFFAOYSA-N 1 2 363.396 2.936 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C(C)(C)C)[nH]3)CC[C@@H]2C1 ZINC001566042231 1076871980 /nfs/dbraw/zinc/87/19/80/1076871980.db2.gz JFWLXXKDWBZCRS-SJORKVTESA-N 1 2 371.529 2.576 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C(C)(C)C)[nH]3)CC[C@@H]2C1 ZINC001566042231 1076871986 /nfs/dbraw/zinc/87/19/86/1076871986.db2.gz JFWLXXKDWBZCRS-SJORKVTESA-N 1 2 371.529 2.576 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1c1ccco1)C1CC[NH+](Cc2nccs2)CC1 ZINC001569593171 1077154031 /nfs/dbraw/zinc/15/40/31/1077154031.db2.gz PKIFFHJQIQSCET-IAGOWNOFSA-N 1 2 369.490 2.966 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](CNC(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001573174122 1077558239 /nfs/dbraw/zinc/55/82/39/1077558239.db2.gz UGZATZRVFMRAPR-IXDOHACOSA-N 1 2 358.486 2.592 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001573176885 1077561799 /nfs/dbraw/zinc/56/17/99/1077561799.db2.gz XCFRUBSZUVFEOJ-OWCLPIDISA-N 1 2 360.502 2.592 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001573176885 1077561804 /nfs/dbraw/zinc/56/18/04/1077561804.db2.gz XCFRUBSZUVFEOJ-OWCLPIDISA-N 1 2 360.502 2.592 20 30 FFEDLO Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC001586247451 1079582724 /nfs/dbraw/zinc/58/27/24/1079582724.db2.gz XRAPGWGHWDYCHI-UHFFFAOYSA-N 1 2 354.410 2.550 20 30 FFEDLO C#CCN(CC#CC)c1nnc(CC2CC2)n1CCc1cn2ccccc2[nH+]1 ZINC001588245533 1079955617 /nfs/dbraw/zinc/95/56/17/1079955617.db2.gz IKBCWXSTFRTHDG-UHFFFAOYSA-N 1 2 372.476 2.584 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@]2(C)CCc3ccccc3C2)c1C#N ZINC000535504146 540478592 /nfs/dbraw/zinc/47/85/92/540478592.db2.gz MSYPTMXNFCMFCU-FQEVSTJZSA-N 1 2 351.454 2.567 20 30 FFEDLO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000103476432 250154997 /nfs/dbraw/zinc/15/49/97/250154997.db2.gz PGFHFDOLRBIOII-ZFWWWQNUSA-N 1 2 370.457 2.586 20 30 FFEDLO CCn1cnnc1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000103476432 250155000 /nfs/dbraw/zinc/15/50/00/250155000.db2.gz PGFHFDOLRBIOII-ZFWWWQNUSA-N 1 2 370.457 2.586 20 30 FFEDLO N#Cc1ccc(NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1Cl ZINC000117061816 250333396 /nfs/dbraw/zinc/33/33/96/250333396.db2.gz WEPZWULFWGIHNK-UHFFFAOYSA-N 1 2 371.828 2.765 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)cc1 ZINC000272474714 252048606 /nfs/dbraw/zinc/04/86/06/252048606.db2.gz FYDFTTBFBVOLQG-LJQANCHMSA-N 1 2 374.444 2.542 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)cc1 ZINC000272474714 252048608 /nfs/dbraw/zinc/04/86/08/252048608.db2.gz FYDFTTBFBVOLQG-LJQANCHMSA-N 1 2 374.444 2.542 20 30 FFEDLO C[C@@](O)(CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000272698064 252106553 /nfs/dbraw/zinc/10/65/53/252106553.db2.gz XRDKAMWXQSYXFZ-JOCHJYFZSA-N 1 2 363.461 2.500 20 30 FFEDLO N#Cc1ccc(NC(=O)NCC2([NH+]3CCOCC3)CC2)cc1C(F)(F)F ZINC000278249934 256291412 /nfs/dbraw/zinc/29/14/12/256291412.db2.gz YHXPRMYLWQYLRV-UHFFFAOYSA-N 1 2 368.359 2.563 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCOC[C@H]1CC(F)F)CCC2 ZINC000286575329 257043888 /nfs/dbraw/zinc/04/38/88/257043888.db2.gz UWRFJINWVVLEGN-LLVKDONJSA-N 1 2 369.437 2.793 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCOC[C@H]1CC(F)F)CCC2 ZINC000286575329 257043889 /nfs/dbraw/zinc/04/38/89/257043889.db2.gz UWRFJINWVVLEGN-LLVKDONJSA-N 1 2 369.437 2.793 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCCSC3)CC2)cc1 ZINC000287940464 257131784 /nfs/dbraw/zinc/13/17/84/257131784.db2.gz KLYHTABVHAXXIQ-SFHVURJKSA-N 1 2 358.511 2.529 20 30 FFEDLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000287538382 257094831 /nfs/dbraw/zinc/09/48/31/257094831.db2.gz OAWBGLCEVMEVDS-QGZVFWFLSA-N 1 2 363.421 2.887 20 30 FFEDLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C[C@@H]1C ZINC000287663087 257101467 /nfs/dbraw/zinc/10/14/67/257101467.db2.gz HGVIUTCMFAJOGZ-NHYWBVRUSA-N 1 2 351.244 2.952 20 30 FFEDLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C[C@@H]1C ZINC000287663087 257101468 /nfs/dbraw/zinc/10/14/68/257101468.db2.gz HGVIUTCMFAJOGZ-NHYWBVRUSA-N 1 2 351.244 2.952 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000288596804 257210154 /nfs/dbraw/zinc/21/01/54/257210154.db2.gz DTAZSTACKXSLGC-DZKIICNBSA-N 1 2 372.469 2.873 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000288596804 257210156 /nfs/dbraw/zinc/21/01/56/257210156.db2.gz DTAZSTACKXSLGC-DZKIICNBSA-N 1 2 372.469 2.873 20 30 FFEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3ccc(C#N)c(Cl)c3)CC2)C1 ZINC000301161933 258030839 /nfs/dbraw/zinc/03/08/39/258030839.db2.gz PQBKHIZFLCSQRE-HZPDHXFCSA-N 1 2 374.916 2.838 20 30 FFEDLO C[C@@H](c1nnc(Sc2ccc(C#N)nn2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000301923673 258075704 /nfs/dbraw/zinc/07/57/04/258075704.db2.gz LRTOWTANWXGGKH-NSHDSACASA-N 1 2 369.429 2.842 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cc1C#N ZINC000373010566 512130581 /nfs/dbraw/zinc/13/05/81/512130581.db2.gz PMEIDBVNXANLFW-RTWAWAEBSA-N 1 2 361.445 2.592 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cc1C#N ZINC000373010566 512130585 /nfs/dbraw/zinc/13/05/85/512130585.db2.gz PMEIDBVNXANLFW-RTWAWAEBSA-N 1 2 361.445 2.592 20 30 FFEDLO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000064995410 506248699 /nfs/dbraw/zinc/24/86/99/506248699.db2.gz OFNFLPRSNCAGCU-HIFRSBDPSA-N 1 2 362.499 2.575 20 30 FFEDLO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000064995410 506248706 /nfs/dbraw/zinc/24/87/06/506248706.db2.gz OFNFLPRSNCAGCU-HIFRSBDPSA-N 1 2 362.499 2.575 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000373103438 512173524 /nfs/dbraw/zinc/17/35/24/512173524.db2.gz GKIHOHYZYCGDED-MRXNPFEDSA-N 1 2 367.453 2.747 20 30 FFEDLO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000373175017 512206786 /nfs/dbraw/zinc/20/67/86/512206786.db2.gz YDYLIHIPLDSYKX-KRWDZBQOSA-N 1 2 351.454 2.816 20 30 FFEDLO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000373175017 512206791 /nfs/dbraw/zinc/20/67/91/512206791.db2.gz YDYLIHIPLDSYKX-KRWDZBQOSA-N 1 2 351.454 2.816 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000366836531 512209395 /nfs/dbraw/zinc/20/93/95/512209395.db2.gz CADYLFSWFFCRCQ-DLBZAZTESA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000366836531 512209397 /nfs/dbraw/zinc/20/93/97/512209397.db2.gz CADYLFSWFFCRCQ-DLBZAZTESA-N 1 2 358.804 2.921 20 30 FFEDLO Cc1nc([C@H](NCc2c[nH+]c3ccc(C#N)cn23)c2ccccc2F)no1 ZINC000375315228 512263247 /nfs/dbraw/zinc/26/32/47/512263247.db2.gz AZWDMMMBHONKEB-GOSISDBHSA-N 1 2 362.368 2.916 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1OC ZINC000053701828 506433367 /nfs/dbraw/zinc/43/33/67/506433367.db2.gz KPXZHRKYGVPRKF-UHFFFAOYSA-N 1 2 367.449 2.613 20 30 FFEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@H](O)C2)c1C#N ZINC000039537557 506452363 /nfs/dbraw/zinc/45/23/63/506452363.db2.gz RAXIKOLRPICTIL-KRWDZBQOSA-N 1 2 370.428 2.500 20 30 FFEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@H](O)C2)c1C#N ZINC000039537557 506452368 /nfs/dbraw/zinc/45/23/68/506452368.db2.gz RAXIKOLRPICTIL-KRWDZBQOSA-N 1 2 370.428 2.500 20 30 FFEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000066469286 506528591 /nfs/dbraw/zinc/52/85/91/506528591.db2.gz TVLPSWNHLMVPII-STQMWFEESA-N 1 2 352.276 2.887 20 30 FFEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000066469286 506528598 /nfs/dbraw/zinc/52/85/98/506528598.db2.gz TVLPSWNHLMVPII-STQMWFEESA-N 1 2 352.276 2.887 20 30 FFEDLO Cc1noc(C2CC[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)n1 ZINC000054678951 506602139 /nfs/dbraw/zinc/60/21/39/506602139.db2.gz BIVDFXJUCIRRMG-UHFFFAOYSA-N 1 2 359.817 2.721 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000066836517 506659602 /nfs/dbraw/zinc/65/96/02/506659602.db2.gz ITEZDTRVCAMMPW-ZDUSSCGKSA-N 1 2 353.413 2.648 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000066836517 506659606 /nfs/dbraw/zinc/65/96/06/506659606.db2.gz ITEZDTRVCAMMPW-ZDUSSCGKSA-N 1 2 353.413 2.648 20 30 FFEDLO C=CCNC(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000012135190 506822378 /nfs/dbraw/zinc/82/23/78/506822378.db2.gz FZNKZTMCOZRKKH-UHFFFAOYSA-N 1 2 371.510 2.648 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000067656123 506963225 /nfs/dbraw/zinc/96/32/25/506963225.db2.gz OZJHBVOTYQATJA-INIZCTEOSA-N 1 2 365.433 2.796 20 30 FFEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000045860261 507035457 /nfs/dbraw/zinc/03/54/57/507035457.db2.gz SOQWNHVKIRIUKJ-UHFFFAOYSA-N 1 2 361.405 2.620 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000377534443 512314523 /nfs/dbraw/zinc/31/45/23/512314523.db2.gz SWTOXACCEUDHDT-UHFFFAOYSA-N 1 2 355.467 2.843 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000016473817 507093090 /nfs/dbraw/zinc/09/30/90/507093090.db2.gz XDTSOIWHVNIAKI-HNNXBMFYSA-N 1 2 352.413 2.847 20 30 FFEDLO C[C@@H](NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1cccs1 ZINC000367063920 512320505 /nfs/dbraw/zinc/32/05/05/512320505.db2.gz APXDHYGEPGYSCQ-OAHLLOKOSA-N 1 2 354.479 2.878 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000068197942 507146592 /nfs/dbraw/zinc/14/65/92/507146592.db2.gz ALTWLFOVVZQTHQ-INIZCTEOSA-N 1 2 365.433 2.796 20 30 FFEDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046519072 507147635 /nfs/dbraw/zinc/14/76/35/507147635.db2.gz GMHUWHUOWGINBI-UHFFFAOYSA-N 1 2 354.366 2.546 20 30 FFEDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046519072 507147670 /nfs/dbraw/zinc/14/76/70/507147670.db2.gz GMHUWHUOWGINBI-UHFFFAOYSA-N 1 2 354.366 2.546 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCOCc3ccccc3)CC2)cc1 ZINC000057423389 507261723 /nfs/dbraw/zinc/26/17/23/507261723.db2.gz GBQFSXSTGOTUPH-UHFFFAOYSA-N 1 2 363.461 2.809 20 30 FFEDLO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000367082447 512329870 /nfs/dbraw/zinc/32/98/70/512329870.db2.gz WLNRFNQGOBRWBX-FPOVZHCZSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000367082447 512329874 /nfs/dbraw/zinc/32/98/74/512329874.db2.gz WLNRFNQGOBRWBX-FPOVZHCZSA-N 1 2 352.434 2.680 20 30 FFEDLO COc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000022784529 507309946 /nfs/dbraw/zinc/30/99/46/507309946.db2.gz NWFNUNRMBMXTJP-UHFFFAOYSA-N 1 2 351.450 2.893 20 30 FFEDLO N#CCCCCS(=O)(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000068917421 507360119 /nfs/dbraw/zinc/36/01/19/507360119.db2.gz WFNZTZXWNKMPBL-UHFFFAOYSA-N 1 2 350.488 2.575 20 30 FFEDLO N#Cc1ccc(CSCC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000047799174 507397418 /nfs/dbraw/zinc/39/74/18/507397418.db2.gz AKBKJSVSKXPBNJ-UHFFFAOYSA-N 1 2 366.490 2.531 20 30 FFEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000048041542 507439470 /nfs/dbraw/zinc/43/94/70/507439470.db2.gz ALQKLNBAIGLHGD-IYBDPMFKSA-N 1 2 358.461 2.609 20 30 FFEDLO COc1ccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)cc1OCCCC#N ZINC000375473453 512348530 /nfs/dbraw/zinc/34/85/30/512348530.db2.gz YXJPWFXUXYVNSW-ROUUACIJSA-N 1 2 372.465 2.948 20 30 FFEDLO COc1ccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)cc1OCCCC#N ZINC000375473453 512348534 /nfs/dbraw/zinc/34/85/34/512348534.db2.gz YXJPWFXUXYVNSW-ROUUACIJSA-N 1 2 372.465 2.948 20 30 FFEDLO N#CCCC[NH+]1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000049971233 507647622 /nfs/dbraw/zinc/64/76/22/507647622.db2.gz HPFZYJQYQIQMLX-UHFFFAOYSA-N 1 2 354.376 2.565 20 30 FFEDLO N#Cc1ccccc1OCC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000070891688 507653326 /nfs/dbraw/zinc/65/33/26/507653326.db2.gz RKRJGPUIKBJXBE-UHFFFAOYSA-N 1 2 362.389 2.851 20 30 FFEDLO C=CCNC(=O)CN1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000027560351 507664489 /nfs/dbraw/zinc/66/44/89/507664489.db2.gz KUGIICADABEAOJ-UHFFFAOYSA-N 1 2 363.914 2.975 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](CCC(=O)Nc3ccccc3C#N)CCO2)c1 ZINC000367136778 512354606 /nfs/dbraw/zinc/35/46/06/512354606.db2.gz AABLHJSREDHBCQ-FQEVSTJZSA-N 1 2 360.417 2.832 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3C#N)CCO2)c1 ZINC000367136778 512354611 /nfs/dbraw/zinc/35/46/11/512354611.db2.gz AABLHJSREDHBCQ-FQEVSTJZSA-N 1 2 360.417 2.832 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000051053068 507730972 /nfs/dbraw/zinc/73/09/72/507730972.db2.gz MYMJYISMAXTYAP-ZFWWWQNUSA-N 1 2 362.499 2.575 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000051053068 507730976 /nfs/dbraw/zinc/73/09/76/507730976.db2.gz MYMJYISMAXTYAP-ZFWWWQNUSA-N 1 2 362.499 2.575 20 30 FFEDLO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000051059225 507732358 /nfs/dbraw/zinc/73/23/58/507732358.db2.gz XHDAJLPDISNALN-GOEBONIOSA-N 1 2 374.485 2.723 20 30 FFEDLO CCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000051059225 507732361 /nfs/dbraw/zinc/73/23/61/507732361.db2.gz XHDAJLPDISNALN-GOEBONIOSA-N 1 2 374.485 2.723 20 30 FFEDLO COc1cc(OC)cc([C@H](NC[C@@H](C#N)CCC#N)c2[nH+]ccn2C)c1 ZINC000028692542 507736558 /nfs/dbraw/zinc/73/65/58/507736558.db2.gz BOVGZZWIYZTHNF-KDOFPFPSSA-N 1 2 353.426 2.560 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]nc3-c3ccccc3)CC2)cc1 ZINC000028892229 507748781 /nfs/dbraw/zinc/74/87/81/507748781.db2.gz RIBUWEDNMPIQSX-UHFFFAOYSA-N 1 2 371.444 2.906 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1ccc(OC)cc1)Cc1ccc(C#N)cc1 ZINC000063754456 507768004 /nfs/dbraw/zinc/76/80/04/507768004.db2.gz OKVWVMLWCJAITN-UHFFFAOYSA-N 1 2 353.422 2.654 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1ccc(OC)cc1)Cc1ccc(C#N)cc1 ZINC000063754456 507768008 /nfs/dbraw/zinc/76/80/08/507768008.db2.gz OKVWVMLWCJAITN-UHFFFAOYSA-N 1 2 353.422 2.654 20 30 FFEDLO CC(C)N(C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000029443729 507778122 /nfs/dbraw/zinc/77/81/22/507778122.db2.gz BWDNCFWWQCAEQF-UHFFFAOYSA-N 1 2 363.465 2.517 20 30 FFEDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000029449903 507778504 /nfs/dbraw/zinc/77/85/04/507778504.db2.gz HGOKLBIJZVNOKY-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000029659884 507785801 /nfs/dbraw/zinc/78/58/01/507785801.db2.gz GNRGNFFHKJYHHO-UHFFFAOYSA-N 1 2 353.397 2.534 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000029785480 507790898 /nfs/dbraw/zinc/79/08/98/507790898.db2.gz GLFZEXVLTWSMCG-OAHLLOKOSA-N 1 2 350.422 2.637 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000029957121 507797326 /nfs/dbraw/zinc/79/73/26/507797326.db2.gz JZVZNDJGCGGELG-HNNXBMFYSA-N 1 2 350.422 2.637 20 30 FFEDLO N#CCc1ccc(NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000072482810 507798043 /nfs/dbraw/zinc/79/80/43/507798043.db2.gz WPFZWQSUMYUQFY-HXUWFJFHSA-N 1 2 364.449 2.948 20 30 FFEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1 ZINC000052207404 507802158 /nfs/dbraw/zinc/80/21/58/507802158.db2.gz XSSRTQTVVPPNAK-UHFFFAOYSA-N 1 2 369.852 2.935 20 30 FFEDLO Cc1nnc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c(C#N)c1C ZINC000052219232 507802537 /nfs/dbraw/zinc/80/25/37/507802537.db2.gz LGAGAQBWEXGLDX-BETUJISGSA-N 1 2 352.442 2.586 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)Cc1ccoc1 ZINC000052442733 507809363 /nfs/dbraw/zinc/80/93/63/507809363.db2.gz RNYYXPWWSBVWLJ-UHFFFAOYSA-N 1 2 358.442 2.677 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)Cc1ccoc1 ZINC000052442733 507809364 /nfs/dbraw/zinc/80/93/64/507809364.db2.gz RNYYXPWWSBVWLJ-UHFFFAOYSA-N 1 2 358.442 2.677 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000031173332 507817951 /nfs/dbraw/zinc/81/79/51/507817951.db2.gz ZSLGWIQXZSWURQ-QGZVFWFLSA-N 1 2 351.406 2.659 20 30 FFEDLO CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000031173332 507817952 /nfs/dbraw/zinc/81/79/52/507817952.db2.gz ZSLGWIQXZSWURQ-QGZVFWFLSA-N 1 2 351.406 2.659 20 30 FFEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000106940335 507829969 /nfs/dbraw/zinc/82/99/69/507829969.db2.gz DCQBQFVMBRZUMQ-LJQANCHMSA-N 1 2 369.513 2.731 20 30 FFEDLO CC(C)N(C(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1)C(C)C ZINC000078269248 507853188 /nfs/dbraw/zinc/85/31/88/507853188.db2.gz IKGNXJMDJHVYBS-UYAOXDASSA-N 1 2 356.514 2.903 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000078385448 507867410 /nfs/dbraw/zinc/86/74/10/507867410.db2.gz WHRAGGCZBBWBLC-UHFFFAOYSA-N 1 2 370.375 2.785 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000073108840 507894626 /nfs/dbraw/zinc/89/46/26/507894626.db2.gz RLEKZIPUBGEQAV-UHFFFAOYSA-N 1 2 356.813 2.658 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000073577114 507934308 /nfs/dbraw/zinc/93/43/08/507934308.db2.gz FJIKAHFYHCOESI-INIZCTEOSA-N 1 2 365.433 2.796 20 30 FFEDLO CC(C)(C)CN(CCC#N)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000109813526 507989188 /nfs/dbraw/zinc/98/91/88/507989188.db2.gz CTXYAHTUTLKHAJ-UHFFFAOYSA-N 1 2 372.513 2.719 20 30 FFEDLO COc1cc(C[NH+]2CCN(CC#N)CC2)ccc1OCc1cccs1 ZINC000092936402 508109280 /nfs/dbraw/zinc/10/92/80/508109280.db2.gz UORFPZHZBCQXBQ-UHFFFAOYSA-N 1 2 357.479 2.977 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1cc(C#N)cs1 ZINC000093004988 508113966 /nfs/dbraw/zinc/11/39/66/508113966.db2.gz GSHRLTOSRZYGSE-UHFFFAOYSA-N 1 2 365.256 2.848 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1cc(C#N)cs1 ZINC000093004988 508113968 /nfs/dbraw/zinc/11/39/68/508113968.db2.gz GSHRLTOSRZYGSE-UHFFFAOYSA-N 1 2 365.256 2.848 20 30 FFEDLO CCOC(=O)C[N@@H+]1CCCN(c2c(C#N)cnc3c(C)cc(F)cc32)CC1 ZINC000081017600 508126618 /nfs/dbraw/zinc/12/66/18/508126618.db2.gz IMQUPAWKWKLWOI-UHFFFAOYSA-N 1 2 370.428 2.629 20 30 FFEDLO CCOC(=O)C[N@H+]1CCCN(c2c(C#N)cnc3c(C)cc(F)cc32)CC1 ZINC000081017600 508126621 /nfs/dbraw/zinc/12/66/21/508126621.db2.gz IMQUPAWKWKLWOI-UHFFFAOYSA-N 1 2 370.428 2.629 20 30 FFEDLO N#CCC[N@@H+](CCCOc1cccc(Cl)c1)CCN1CCOCC1 ZINC000081158560 508142589 /nfs/dbraw/zinc/14/25/89/508142589.db2.gz GZUBZHRRZMTFBS-UHFFFAOYSA-N 1 2 351.878 2.657 20 30 FFEDLO N#CCC[N@H+](CCCOc1cccc(Cl)c1)CCN1CCOCC1 ZINC000081158560 508142591 /nfs/dbraw/zinc/14/25/91/508142591.db2.gz GZUBZHRRZMTFBS-UHFFFAOYSA-N 1 2 351.878 2.657 20 30 FFEDLO N#CCCN(CCCOc1cccc(Cl)c1)CC[NH+]1CCOCC1 ZINC000081158560 508142592 /nfs/dbraw/zinc/14/25/92/508142592.db2.gz GZUBZHRRZMTFBS-UHFFFAOYSA-N 1 2 351.878 2.657 20 30 FFEDLO OC[C@@H](O)C[N@H+](CCC(F)(F)F)Cc1cc(C(F)(F)F)ccc1F ZINC000093814374 508156443 /nfs/dbraw/zinc/15/64/43/508156443.db2.gz QFSSPNFTUKUHPT-NSHDSACASA-N 1 2 363.273 2.952 20 30 FFEDLO OC[C@@H](O)C[N@@H+](CCC(F)(F)F)Cc1cc(C(F)(F)F)ccc1F ZINC000093814374 508156444 /nfs/dbraw/zinc/15/64/44/508156444.db2.gz QFSSPNFTUKUHPT-NSHDSACASA-N 1 2 363.273 2.952 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc4c(c3)CCO4)CC2)cc1 ZINC000076138373 508162800 /nfs/dbraw/zinc/16/28/00/508162800.db2.gz CJZAYRQUEBSRAF-UHFFFAOYSA-N 1 2 362.433 2.843 20 30 FFEDLO CCOC(=O)C(C)(C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000112655268 508206017 /nfs/dbraw/zinc/20/60/17/508206017.db2.gz KFECWAQKVHCHKR-UHFFFAOYSA-N 1 2 363.483 2.758 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000083169942 508238259 /nfs/dbraw/zinc/23/82/59/508238259.db2.gz FEGKEHKTCCYZMD-DNVCBOLYSA-N 1 2 371.481 2.645 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1cc(Br)cs1 ZINC000076997175 508272671 /nfs/dbraw/zinc/27/26/71/508272671.db2.gz WPKXDUJYYRKYEJ-LLVKDONJSA-N 1 2 358.305 2.951 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000076997175 508272673 /nfs/dbraw/zinc/27/26/73/508272673.db2.gz WPKXDUJYYRKYEJ-LLVKDONJSA-N 1 2 358.305 2.951 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000077250843 508292865 /nfs/dbraw/zinc/29/28/65/508292865.db2.gz UGBAXQGUSNNXED-UHFFFAOYSA-N 1 2 370.478 2.600 20 30 FFEDLO CCOC(=O)C1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000105185864 508365234 /nfs/dbraw/zinc/36/52/34/508365234.db2.gz NQHDQBCBZYIFLE-MRXNPFEDSA-N 1 2 357.454 2.597 20 30 FFEDLO COCCCOc1cc(C)ccc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000088558357 508376251 /nfs/dbraw/zinc/37/62/51/508376251.db2.gz HGULPZHYMYJDKA-HXUWFJFHSA-N 1 2 367.449 2.598 20 30 FFEDLO N#Cc1ccc2ncc(C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)n2c1 ZINC000121799760 508421294 /nfs/dbraw/zinc/42/12/94/508421294.db2.gz XMGZUIDLUFBIAN-UHFFFAOYSA-N 1 2 372.432 2.686 20 30 FFEDLO CCOC(=O)c1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)o1 ZINC000156486512 508428124 /nfs/dbraw/zinc/42/81/24/508428124.db2.gz PFKVRNWXMMKYGZ-GOSISDBHSA-N 1 2 353.422 2.839 20 30 FFEDLO Cc1cccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)c1C#N ZINC000156733695 508469919 /nfs/dbraw/zinc/46/99/19/508469919.db2.gz SAUYXUWONPYNQR-UHFFFAOYSA-N 1 2 352.419 2.531 20 30 FFEDLO CC(C)Oc1cc(C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2CC2)ccn1 ZINC000122404540 508529587 /nfs/dbraw/zinc/52/95/87/508529587.db2.gz MMBDULALUIQNSI-HXUWFJFHSA-N 1 2 358.486 2.888 20 30 FFEDLO CC(C)Oc1cc(C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2CC2)ccn1 ZINC000122404540 508529588 /nfs/dbraw/zinc/52/95/88/508529588.db2.gz MMBDULALUIQNSI-HXUWFJFHSA-N 1 2 358.486 2.888 20 30 FFEDLO N#Cc1ccccc1S(=O)(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000157345763 508555058 /nfs/dbraw/zinc/55/50/58/508555058.db2.gz DPPLWRMPNIGTNJ-UHFFFAOYSA-N 1 2 370.478 2.812 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000157542878 508578800 /nfs/dbraw/zinc/57/88/00/508578800.db2.gz FZNHKHUPMZNUCO-PKOBYXMFSA-N 1 2 365.408 2.819 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000157542878 508578802 /nfs/dbraw/zinc/57/88/02/508578802.db2.gz FZNHKHUPMZNUCO-PKOBYXMFSA-N 1 2 365.408 2.819 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2nc(C)c(C)s2)CC1 ZINC000157564876 508581825 /nfs/dbraw/zinc/58/18/25/508581825.db2.gz QTCSJVMGNVOREU-OAHLLOKOSA-N 1 2 350.532 2.695 20 30 FFEDLO C[C@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])c(C#N)c3)c[nH+]2)CCO1 ZINC000157677762 508596336 /nfs/dbraw/zinc/59/63/36/508596336.db2.gz LTPULYHCHTUCLD-ZDUSSCGKSA-N 1 2 353.382 2.699 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC ZINC000117891926 508622239 /nfs/dbraw/zinc/62/22/39/508622239.db2.gz XAIYYHOEJKQTIQ-GOSISDBHSA-N 1 2 373.497 2.831 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC ZINC000117891926 508622243 /nfs/dbraw/zinc/62/22/43/508622243.db2.gz XAIYYHOEJKQTIQ-GOSISDBHSA-N 1 2 373.497 2.831 20 30 FFEDLO Cc1cccn2cc(CNS(=O)(=O)c3ccc(Cl)c(C#N)c3)[nH+]c12 ZINC000128794468 508644086 /nfs/dbraw/zinc/64/40/86/508644086.db2.gz UCWZFWJFMCXZQI-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO CCOc1ccnc(N2CCC[N@H+](Cc3cc(F)ccc3C#N)CC2)n1 ZINC000135798646 508651204 /nfs/dbraw/zinc/65/12/04/508651204.db2.gz FKTMLODNPRWEIF-UHFFFAOYSA-N 1 2 355.417 2.598 20 30 FFEDLO CCOc1ccnc(N2CCC[N@@H+](Cc3cc(F)ccc3C#N)CC2)n1 ZINC000135798646 508651208 /nfs/dbraw/zinc/65/12/08/508651208.db2.gz FKTMLODNPRWEIF-UHFFFAOYSA-N 1 2 355.417 2.598 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000128860838 508652238 /nfs/dbraw/zinc/65/22/38/508652238.db2.gz RMKMLMJYQDZGIM-QAPCUYQASA-N 1 2 367.453 2.914 20 30 FFEDLO C=CCOc1ccc(CN2CC[NH+](Cc3ccccn3)CC2)cc1OC ZINC000135933770 508659166 /nfs/dbraw/zinc/65/91/66/508659166.db2.gz HGTWILYLHJGZHW-UHFFFAOYSA-N 1 2 353.466 2.973 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3ccccn3)CC2)cc1OC ZINC000135933770 508659168 /nfs/dbraw/zinc/65/91/68/508659168.db2.gz HGTWILYLHJGZHW-UHFFFAOYSA-N 1 2 353.466 2.973 20 30 FFEDLO COc1ccc(-n2ccc(C[NH2+]Cc3cnc4ccc(C#N)cn34)n2)cc1 ZINC000123631438 508718043 /nfs/dbraw/zinc/71/80/43/508718043.db2.gz XUDVNEQBVMZEDB-UHFFFAOYSA-N 1 2 358.405 2.690 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](O)C2)cc1OC ZINC000158770841 508750813 /nfs/dbraw/zinc/75/08/13/508750813.db2.gz LFRFWXYHALWSCB-CYBMUJFWSA-N 1 2 356.260 2.979 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](O)C2)cc1OC ZINC000158770841 508750815 /nfs/dbraw/zinc/75/08/15/508750815.db2.gz LFRFWXYHALWSCB-CYBMUJFWSA-N 1 2 356.260 2.979 20 30 FFEDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc(C#N)cc3Br)CC2)S1 ZINC000123896599 508754594 /nfs/dbraw/zinc/75/45/94/508754594.db2.gz VXXCTBSUCGXGTC-NSHDSACASA-N 1 2 365.300 2.934 20 30 FFEDLO C[C@H]1CC(=O)CC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000159328340 508825519 /nfs/dbraw/zinc/82/55/19/508825519.db2.gz NFHQVEIMEBVMTB-OXJNMPFZSA-N 1 2 353.466 2.598 20 30 FFEDLO C[C@H]1CC(=O)CC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000159328340 508825525 /nfs/dbraw/zinc/82/55/25/508825525.db2.gz NFHQVEIMEBVMTB-OXJNMPFZSA-N 1 2 353.466 2.598 20 30 FFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000159469699 508847027 /nfs/dbraw/zinc/84/70/27/508847027.db2.gz ZRNQXNUCPRISKL-QGZVFWFLSA-N 1 2 372.488 2.847 20 30 FFEDLO C=CCNc1ncc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)s1 ZINC000124853141 508895350 /nfs/dbraw/zinc/89/53/50/508895350.db2.gz BFNLZVGVOXNIJM-UHFFFAOYSA-N 1 2 372.494 2.578 20 30 FFEDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000159873906 508904474 /nfs/dbraw/zinc/90/44/74/508904474.db2.gz SLCLDOYNQTXJNM-GFCCVEGCSA-N 1 2 353.875 2.604 20 30 FFEDLO C[C@@H](c1ccc(C#N)cc1)n1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000369478597 512429374 /nfs/dbraw/zinc/42/93/74/512429374.db2.gz KRSQDRXPAWEEBK-JXFKEZNVSA-N 1 2 374.448 2.728 20 30 FFEDLO C[C@@H](c1ccc(C#N)cc1)n1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000369478597 512429378 /nfs/dbraw/zinc/42/93/78/512429378.db2.gz KRSQDRXPAWEEBK-JXFKEZNVSA-N 1 2 374.448 2.728 20 30 FFEDLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC000125681332 509015915 /nfs/dbraw/zinc/01/59/15/509015915.db2.gz MFAGLFIMUZEVLS-ZDUSSCGKSA-N 1 2 372.270 2.994 20 30 FFEDLO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(C#N)cs1 ZINC000160673092 509017736 /nfs/dbraw/zinc/01/77/36/509017736.db2.gz XLSRPIBWESJHEP-UHFFFAOYSA-N 1 2 357.435 2.852 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(C#N)cs1 ZINC000160673092 509017737 /nfs/dbraw/zinc/01/77/37/509017737.db2.gz XLSRPIBWESJHEP-UHFFFAOYSA-N 1 2 357.435 2.852 20 30 FFEDLO C[C@@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000120566657 509022191 /nfs/dbraw/zinc/02/21/91/509022191.db2.gz PVMFRFUJASNHAO-HNNXBMFYSA-N 1 2 365.424 2.533 20 30 FFEDLO N#CCC[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000160874203 509042373 /nfs/dbraw/zinc/04/23/73/509042373.db2.gz IFHVALCGXVFTOI-HXUWFJFHSA-N 1 2 363.465 2.954 20 30 FFEDLO COc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c(Cl)c1 ZINC000155667281 509048701 /nfs/dbraw/zinc/04/87/01/509048701.db2.gz LWLDERWLPVHDJV-ZDUSSCGKSA-N 1 2 357.845 2.721 20 30 FFEDLO COc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c(Cl)c1 ZINC000155667281 509048704 /nfs/dbraw/zinc/04/87/04/509048704.db2.gz LWLDERWLPVHDJV-ZDUSSCGKSA-N 1 2 357.845 2.721 20 30 FFEDLO C[C@H](c1nnc(Sc2cnc(C#N)cn2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000120986354 509103920 /nfs/dbraw/zinc/10/39/20/509103920.db2.gz VBYNREDFWSHMSC-LLVKDONJSA-N 1 2 369.429 2.842 20 30 FFEDLO CC(C)(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1nc(-c2nc[nH]n2)no1 ZINC000121058787 509119886 /nfs/dbraw/zinc/11/98/86/509119886.db2.gz QZGWILSNDWTUCE-ZDUSSCGKSA-N 1 2 355.377 2.742 20 30 FFEDLO Cc1cccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1C#N ZINC000156139735 509133354 /nfs/dbraw/zinc/13/33/54/509133354.db2.gz VCMGHEDKNGUBLV-INIZCTEOSA-N 1 2 359.451 2.575 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000121454059 509174673 /nfs/dbraw/zinc/17/46/73/509174673.db2.gz BQQBMAWQNRRTCD-HXUWFJFHSA-N 1 2 366.421 2.856 20 30 FFEDLO N#CCCCOc1cccnc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000188744590 509243225 /nfs/dbraw/zinc/24/32/25/509243225.db2.gz TVUSLVATJCNNAZ-UHFFFAOYSA-N 1 2 354.414 2.830 20 30 FFEDLO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000266954705 509274749 /nfs/dbraw/zinc/27/47/49/509274749.db2.gz VBLCCGGMIIKXPZ-UHFFFAOYSA-N 1 2 359.470 2.678 20 30 FFEDLO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000266954705 509274754 /nfs/dbraw/zinc/27/47/54/509274754.db2.gz VBLCCGGMIIKXPZ-UHFFFAOYSA-N 1 2 359.470 2.678 20 30 FFEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)cs1 ZINC000267010323 509305194 /nfs/dbraw/zinc/30/51/94/509305194.db2.gz HDWAOODTCGPPIK-AWEZNQCLSA-N 1 2 357.483 2.829 20 30 FFEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)cs1 ZINC000267010323 509305205 /nfs/dbraw/zinc/30/52/05/509305205.db2.gz HDWAOODTCGPPIK-AWEZNQCLSA-N 1 2 357.483 2.829 20 30 FFEDLO C=CCN(CCOC)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000192091628 509340911 /nfs/dbraw/zinc/34/09/11/509340911.db2.gz VPKJKTISORGMBA-CALCHBBNSA-N 1 2 361.486 2.962 20 30 FFEDLO C=CCN(CCOC)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000192091628 509340919 /nfs/dbraw/zinc/34/09/19/509340919.db2.gz VPKJKTISORGMBA-CALCHBBNSA-N 1 2 361.486 2.962 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 ZINC000267214877 509397020 /nfs/dbraw/zinc/39/70/20/509397020.db2.gz MOHQMZLDDTUXOO-UHFFFAOYSA-N 1 2 365.393 2.532 20 30 FFEDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000248629128 509399957 /nfs/dbraw/zinc/39/99/57/509399957.db2.gz PWTISMFFOHMDFJ-HZPDHXFCSA-N 1 2 357.454 2.939 20 30 FFEDLO CC(C)OC(=O)C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000248629128 509399960 /nfs/dbraw/zinc/39/99/60/509399960.db2.gz PWTISMFFOHMDFJ-HZPDHXFCSA-N 1 2 357.454 2.939 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000192254420 509428585 /nfs/dbraw/zinc/42/85/85/509428585.db2.gz DZDAIHUTPDSBLC-GFCCVEGCSA-N 1 2 350.260 2.568 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCc2cc(Br)ccc2C1 ZINC000192254420 509428586 /nfs/dbraw/zinc/42/85/86/509428586.db2.gz DZDAIHUTPDSBLC-GFCCVEGCSA-N 1 2 350.260 2.568 20 30 FFEDLO CN(CCC#N)c1ccc(CNc2cccc(CN3CCOCC3)[nH+]2)cc1 ZINC000179450910 509450210 /nfs/dbraw/zinc/45/02/10/509450210.db2.gz VTCANUSEGKOOFE-UHFFFAOYSA-N 1 2 365.481 2.876 20 30 FFEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)NCCCCC#N)c2ccc(Cl)cc2)C1 ZINC000179478778 509466833 /nfs/dbraw/zinc/46/68/33/509466833.db2.gz YNFIPKTWAQYOFL-DLBZAZTESA-N 1 2 364.877 2.705 20 30 FFEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)NCCCCC#N)c2ccc(Cl)cc2)C1 ZINC000179478778 509466837 /nfs/dbraw/zinc/46/68/37/509466837.db2.gz YNFIPKTWAQYOFL-DLBZAZTESA-N 1 2 364.877 2.705 20 30 FFEDLO Cc1[nH]c2ccc(Cl)cc2c1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000164263239 509482640 /nfs/dbraw/zinc/48/26/40/509482640.db2.gz ZRGSNEFEZCDPOT-UHFFFAOYSA-N 1 2 374.872 2.818 20 30 FFEDLO N#CCCn1ccc(NC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC000173347617 509544974 /nfs/dbraw/zinc/54/49/74/509544974.db2.gz LBHLKJYLSZAXSS-UHFFFAOYSA-N 1 2 372.860 2.800 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000179656401 509557303 /nfs/dbraw/zinc/55/73/03/509557303.db2.gz LMLYJNPOFIQGBR-UHFFFAOYSA-N 1 2 355.463 2.976 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000179656401 509557308 /nfs/dbraw/zinc/55/73/08/509557308.db2.gz LMLYJNPOFIQGBR-UHFFFAOYSA-N 1 2 355.463 2.976 20 30 FFEDLO CCC1(CC)C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[S@@]1=O ZINC000248980369 509562692 /nfs/dbraw/zinc/56/26/92/509562692.db2.gz IRSSFEPBRLMWEW-QYBDOPJKSA-N 1 2 373.522 2.677 20 30 FFEDLO CCC1(CC)C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[S@@]1=O ZINC000248980369 509562697 /nfs/dbraw/zinc/56/26/97/509562697.db2.gz IRSSFEPBRLMWEW-QYBDOPJKSA-N 1 2 373.522 2.677 20 30 FFEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H]1C ZINC000249030478 509575814 /nfs/dbraw/zinc/57/58/14/509575814.db2.gz FDXLRQJIOIDLBH-JKSUJKDBSA-N 1 2 367.449 2.869 20 30 FFEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H]1C ZINC000249030478 509575822 /nfs/dbraw/zinc/57/58/22/509575822.db2.gz FDXLRQJIOIDLBH-JKSUJKDBSA-N 1 2 367.449 2.869 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CCCCC#N)c1ccc(Cl)cc1 ZINC000264557284 509598942 /nfs/dbraw/zinc/59/89/42/509598942.db2.gz MNEUSMKMIVHOEB-OAHLLOKOSA-N 1 2 366.874 2.776 20 30 FFEDLO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000249102816 509605333 /nfs/dbraw/zinc/60/53/33/509605333.db2.gz PVYOZOXPVAGHJY-YWPYICTPSA-N 1 2 363.845 2.670 20 30 FFEDLO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000249102816 509605339 /nfs/dbraw/zinc/60/53/39/509605339.db2.gz PVYOZOXPVAGHJY-YWPYICTPSA-N 1 2 363.845 2.670 20 30 FFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000267769875 509606190 /nfs/dbraw/zinc/60/61/90/509606190.db2.gz ZVJGJBAHNRQTHX-ZDUSSCGKSA-N 1 2 350.344 2.641 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccn(-c4ccc(F)cc4)n3)CC2)nc1 ZINC000173560121 509652191 /nfs/dbraw/zinc/65/21/91/509652191.db2.gz OXAZAHZWAJYBOD-UHFFFAOYSA-N 1 2 362.412 2.600 20 30 FFEDLO COc1cccc(OCC[NH+]2CCN(Cc3ccc(C#N)s3)CC2)c1 ZINC000180023370 509713260 /nfs/dbraw/zinc/71/32/60/509713260.db2.gz PRWLBTDMKFACQS-UHFFFAOYSA-N 1 2 357.479 2.825 20 30 FFEDLO COc1cccc(OCCN2CC[NH+](Cc3ccc(C#N)s3)CC2)c1 ZINC000180023370 509713265 /nfs/dbraw/zinc/71/32/65/509713265.db2.gz PRWLBTDMKFACQS-UHFFFAOYSA-N 1 2 357.479 2.825 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)C[C@H](C)C#N ZINC000249981471 509784169 /nfs/dbraw/zinc/78/41/69/509784169.db2.gz ALGTYDTWCYSVAI-WBVHZDCISA-N 1 2 359.470 2.849 20 30 FFEDLO CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)C[C@H](C)C#N ZINC000249981471 509784180 /nfs/dbraw/zinc/78/41/80/509784180.db2.gz ALGTYDTWCYSVAI-WBVHZDCISA-N 1 2 359.470 2.849 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1(c2noc(C)n2)CCCC1 ZINC000174233011 510016488 /nfs/dbraw/zinc/01/64/88/510016488.db2.gz QQFKOXKDANDEFH-KRWDZBQOSA-N 1 2 357.454 2.905 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)N2C[C@H](n3cc[nH+]c3)Cc3ccccc32)c1 ZINC000174266225 510029538 /nfs/dbraw/zinc/02/95/38/510029538.db2.gz SFXBELYHESUGCZ-QGZVFWFLSA-N 1 2 364.430 2.747 20 30 FFEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1F ZINC000193770565 510060634 /nfs/dbraw/zinc/06/06/34/510060634.db2.gz VWBUBIPJQCDMDC-HNNXBMFYSA-N 1 2 367.428 2.550 20 30 FFEDLO CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)nc3)c2C1 ZINC000171345651 510096486 /nfs/dbraw/zinc/09/64/86/510096486.db2.gz PIFKHRFEEQDQLK-UHFFFAOYSA-N 1 2 356.451 2.870 20 30 FFEDLO CCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)nc3)c2C1 ZINC000171345651 510096495 /nfs/dbraw/zinc/09/64/95/510096495.db2.gz PIFKHRFEEQDQLK-UHFFFAOYSA-N 1 2 356.451 2.870 20 30 FFEDLO N#Cc1c(F)cccc1N1CCN(Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000171377346 510115649 /nfs/dbraw/zinc/11/56/49/510115649.db2.gz RGHRGCMUGZCAHH-UHFFFAOYSA-N 1 2 367.350 2.778 20 30 FFEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000177726351 510219873 /nfs/dbraw/zinc/21/98/73/510219873.db2.gz HFBTWBOHPWPXDM-HWRSSNJWSA-N 1 2 355.463 2.927 20 30 FFEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000177726351 510219879 /nfs/dbraw/zinc/21/98/79/510219879.db2.gz HFBTWBOHPWPXDM-HWRSSNJWSA-N 1 2 355.463 2.927 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246002227 510245915 /nfs/dbraw/zinc/24/59/15/510245915.db2.gz JFEBNKVLQSYLIX-WCQYABFASA-N 1 2 350.406 2.506 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246002227 510245918 /nfs/dbraw/zinc/24/59/18/510245918.db2.gz JFEBNKVLQSYLIX-WCQYABFASA-N 1 2 350.406 2.506 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)CSCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181098902 510274869 /nfs/dbraw/zinc/27/48/69/510274869.db2.gz HFVAPDDDMCPPFE-HOCLYGCPSA-N 1 2 355.866 2.987 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)CSCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181098902 510274879 /nfs/dbraw/zinc/27/48/79/510274879.db2.gz HFVAPDDDMCPPFE-HOCLYGCPSA-N 1 2 355.866 2.987 20 30 FFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246169576 510334489 /nfs/dbraw/zinc/33/44/89/510334489.db2.gz CQTOWOKGHHQMEV-JKSUJKDBSA-N 1 2 373.881 2.838 20 30 FFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246169576 510334497 /nfs/dbraw/zinc/33/44/97/510334497.db2.gz CQTOWOKGHHQMEV-JKSUJKDBSA-N 1 2 373.881 2.838 20 30 FFEDLO CC[C@H](C)[N@H+](CC(=O)N(CC)CCC#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000266002199 510352692 /nfs/dbraw/zinc/35/26/92/510352692.db2.gz OFZLXZRFFHCLHM-HNNXBMFYSA-N 1 2 369.469 2.698 20 30 FFEDLO CC[C@H](C)[N@@H+](CC(=O)N(CC)CCC#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000266002199 510352698 /nfs/dbraw/zinc/35/26/98/510352698.db2.gz OFZLXZRFFHCLHM-HNNXBMFYSA-N 1 2 369.469 2.698 20 30 FFEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cccc(Cl)c3O)C2=O)cc1 ZINC000190837668 510366833 /nfs/dbraw/zinc/36/68/33/510366833.db2.gz JPBYIPVPDKGITM-QGZVFWFLSA-N 1 2 355.825 2.808 20 30 FFEDLO Cc1cccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1C#N ZINC000246273495 510399601 /nfs/dbraw/zinc/39/96/01/510399601.db2.gz MTBKYIPYTRMISK-SFHVURJKSA-N 1 2 355.463 2.544 20 30 FFEDLO Cc1cccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1C#N ZINC000246273495 510399605 /nfs/dbraw/zinc/39/96/05/510399605.db2.gz MTBKYIPYTRMISK-SFHVURJKSA-N 1 2 355.463 2.544 20 30 FFEDLO C=CCOCCCC(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000266096137 510406549 /nfs/dbraw/zinc/40/65/49/510406549.db2.gz JFJNJGMMMANDLC-UHFFFAOYSA-N 1 2 364.490 2.780 20 30 FFEDLO CCCCNC(=O)[C@H](C)O[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000178154975 510461944 /nfs/dbraw/zinc/46/19/44/510461944.db2.gz DOGVMNJHJZMXEB-HNNXBMFYSA-N 1 2 370.453 2.602 20 30 FFEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000178247052 510508936 /nfs/dbraw/zinc/50/89/36/510508936.db2.gz YINUSSCXKQFFQJ-ZDUSSCGKSA-N 1 2 357.376 2.514 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1cccnc1 ZINC000191248441 510568198 /nfs/dbraw/zinc/56/81/98/510568198.db2.gz ZHSBUIZWKVMXCR-UHFFFAOYSA-N 1 2 358.467 2.719 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1cccnc1 ZINC000191248441 510568201 /nfs/dbraw/zinc/56/82/01/510568201.db2.gz ZHSBUIZWKVMXCR-UHFFFAOYSA-N 1 2 358.467 2.719 20 30 FFEDLO C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000270031930 510646538 /nfs/dbraw/zinc/64/65/38/510646538.db2.gz HDZLYNAWFUHORI-ZDUSSCGKSA-N 1 2 366.450 2.948 20 30 FFEDLO COc1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000175442168 510649239 /nfs/dbraw/zinc/64/92/39/510649239.db2.gz MOWRHXZMZNMSES-UHFFFAOYSA-N 1 2 351.450 2.893 20 30 FFEDLO CCCCCNC(=O)CO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000263712185 510804061 /nfs/dbraw/zinc/80/40/61/510804061.db2.gz KMCDGWWSCKTGRC-UHFFFAOYSA-N 1 2 370.453 2.604 20 30 FFEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nc(Cc2ccccc2)no1 ZINC000185376847 510827309 /nfs/dbraw/zinc/82/73/09/510827309.db2.gz NTYMTAWQDCTICB-HNNXBMFYSA-N 1 2 367.453 2.654 20 30 FFEDLO CCN1CCCN(C(=O)Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)CC1=O ZINC000329950081 510884557 /nfs/dbraw/zinc/88/45/57/510884557.db2.gz LVAAYVLXGFYUMX-INIZCTEOSA-N 1 2 373.501 2.869 20 30 FFEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)C[C@@H]21 ZINC000329966109 510888147 /nfs/dbraw/zinc/88/81/47/510888147.db2.gz RNKUEYBPGXNNIK-MAUKXSAKSA-N 1 2 373.453 2.679 20 30 FFEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)C[C@@H]21 ZINC000329966109 510888154 /nfs/dbraw/zinc/88/81/54/510888154.db2.gz RNKUEYBPGXNNIK-MAUKXSAKSA-N 1 2 373.453 2.679 20 30 FFEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)C[C@@H]21 ZINC000329966111 510888585 /nfs/dbraw/zinc/88/85/85/510888585.db2.gz RNKUEYBPGXNNIK-YJBOKZPZSA-N 1 2 373.453 2.679 20 30 FFEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)C[C@@H]21 ZINC000329966111 510888592 /nfs/dbraw/zinc/88/85/92/510888592.db2.gz RNKUEYBPGXNNIK-YJBOKZPZSA-N 1 2 373.453 2.679 20 30 FFEDLO CCN1CCN(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)C[C@H]1c1[nH]cc[nH+]1 ZINC000329996569 510895809 /nfs/dbraw/zinc/89/58/09/510895809.db2.gz PDANAQBUJCBLSP-RDGPPVDQSA-N 1 2 365.481 2.588 20 30 FFEDLO C[C@H](C(=O)NCCc1cccs1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330121760 510920421 /nfs/dbraw/zinc/92/04/21/510920421.db2.gz JVYCIRRHKYMCPU-RKVPGOIHSA-N 1 2 352.500 2.906 20 30 FFEDLO C[C@H](C(=O)NCCc1cccs1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330121760 510920423 /nfs/dbraw/zinc/92/04/23/510920423.db2.gz JVYCIRRHKYMCPU-RKVPGOIHSA-N 1 2 352.500 2.906 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C[C@@]2(CCCOC2)O1 ZINC000330135953 510922980 /nfs/dbraw/zinc/92/29/80/510922980.db2.gz TUDSOLXHYLVRHR-WRWLIDTKSA-N 1 2 360.454 2.737 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C[C@@]2(CCCOC2)O1 ZINC000330135953 510922987 /nfs/dbraw/zinc/92/29/87/510922987.db2.gz TUDSOLXHYLVRHR-WRWLIDTKSA-N 1 2 360.454 2.737 20 30 FFEDLO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCCSC2)[NH+]2CCOCC2)cc1 ZINC000330162630 510928568 /nfs/dbraw/zinc/92/85/68/510928568.db2.gz URURQRBKHLMCRS-MSOLQXFVSA-N 1 2 363.527 2.768 20 30 FFEDLO O=C(C[N@@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000330171067 510930025 /nfs/dbraw/zinc/93/00/25/510930025.db2.gz FBNQRZZFGMSJSI-SMDDNHRTSA-N 1 2 372.393 2.802 20 30 FFEDLO O=C(C[N@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000330171067 510930031 /nfs/dbraw/zinc/93/00/31/510930031.db2.gz FBNQRZZFGMSJSI-SMDDNHRTSA-N 1 2 372.393 2.802 20 30 FFEDLO C#CCC1(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CCCCC1 ZINC000276451090 510939136 /nfs/dbraw/zinc/93/91/36/510939136.db2.gz MXVLDMHVTCJXAK-KRWDZBQOSA-N 1 2 355.482 2.897 20 30 FFEDLO O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330232209 510942925 /nfs/dbraw/zinc/94/29/25/510942925.db2.gz RJOKTYHTJOCLFB-PBHICJAKSA-N 1 2 350.488 2.558 20 30 FFEDLO O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330232209 510942930 /nfs/dbraw/zinc/94/29/30/510942930.db2.gz RJOKTYHTJOCLFB-PBHICJAKSA-N 1 2 350.488 2.558 20 30 FFEDLO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330327386 510964885 /nfs/dbraw/zinc/96/48/85/510964885.db2.gz KWFHEICAOWJZDC-OCCSQVGLSA-N 1 2 373.457 2.747 20 30 FFEDLO CCc1nc(C)c(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000330338942 510970229 /nfs/dbraw/zinc/97/02/29/510970229.db2.gz WBPTZKILGVFRRI-INIZCTEOSA-N 1 2 370.544 2.548 20 30 FFEDLO CCN1CCN(C(=O)Nc2cc(F)c(F)cc2F)C[C@H]1c1[nH]cc[nH+]1 ZINC000330349311 510971793 /nfs/dbraw/zinc/97/17/93/510971793.db2.gz JSRGJKFUZZBMNK-AWEZNQCLSA-N 1 2 353.348 2.751 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000285599855 510973034 /nfs/dbraw/zinc/97/30/34/510973034.db2.gz JRFONUQEMCVCPD-AWEZNQCLSA-N 1 2 371.466 2.966 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000285599855 510973039 /nfs/dbraw/zinc/97/30/39/510973039.db2.gz JRFONUQEMCVCPD-AWEZNQCLSA-N 1 2 371.466 2.966 20 30 FFEDLO Cc1nsc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1C#N ZINC000297534433 510982786 /nfs/dbraw/zinc/98/27/86/510982786.db2.gz XYMDUIBBRJGQOA-MRXNPFEDSA-N 1 2 371.466 2.518 20 30 FFEDLO COc1cc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)ccc1C#N ZINC000282460382 510986891 /nfs/dbraw/zinc/98/68/91/510986891.db2.gz VOHHEYYTZXSVTD-PMACEKPBSA-N 1 2 352.434 2.891 20 30 FFEDLO COc1cc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)ccc1C#N ZINC000282460382 510986896 /nfs/dbraw/zinc/98/68/96/510986896.db2.gz VOHHEYYTZXSVTD-PMACEKPBSA-N 1 2 352.434 2.891 20 30 FFEDLO C#CC[C@@]1(C(=O)N(C)CCCn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000278879080 511011399 /nfs/dbraw/zinc/01/13/99/511011399.db2.gz NQOPREKZVVPWCU-FQEVSTJZSA-N 1 2 374.485 2.525 20 30 FFEDLO C=CCCCCCN(C)C(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000285783134 511015556 /nfs/dbraw/zinc/01/55/56/511015556.db2.gz WZONGGPTSBPZCH-UHFFFAOYSA-N 1 2 372.513 2.893 20 30 FFEDLO Cc1cc(NC(=O)NCCNC(=O)C(C)C)c[nH+]c1N1CCCC[C@@H]1C ZINC000330782811 511016707 /nfs/dbraw/zinc/01/67/07/511016707.db2.gz PVINYOOZFKHNKR-HNNXBMFYSA-N 1 2 361.490 2.867 20 30 FFEDLO C=CC[C@H]1N(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCCC1(C)C ZINC000297661248 511026178 /nfs/dbraw/zinc/02/61/78/511026178.db2.gz FDTSDSFIQSXTFN-MRXNPFEDSA-N 1 2 358.486 2.709 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@@](F)(CO)C2)c1 ZINC000286753522 511031539 /nfs/dbraw/zinc/03/15/39/511031539.db2.gz FLMJYXCLNPNOIX-XLIONFOSSA-N 1 2 361.461 2.735 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@@](F)(CO)C2)c1 ZINC000286753522 511031545 /nfs/dbraw/zinc/03/15/45/511031545.db2.gz FLMJYXCLNPNOIX-XLIONFOSSA-N 1 2 361.461 2.735 20 30 FFEDLO C=CCOc1ccc(CC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000294375932 511044222 /nfs/dbraw/zinc/04/42/22/511044222.db2.gz KORDHZKTVORBPZ-UHFFFAOYSA-N 1 2 351.450 2.533 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000279419760 511076484 /nfs/dbraw/zinc/07/64/84/511076484.db2.gz WTLPUDJFCYZERV-TWOQFEAHSA-N 1 2 371.481 2.830 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000279419760 511076485 /nfs/dbraw/zinc/07/64/85/511076485.db2.gz WTLPUDJFCYZERV-TWOQFEAHSA-N 1 2 371.481 2.830 20 30 FFEDLO C[N@@H+]1CCc2ncnc(N[C@H]3CCCN(c4ccc(C#N)cc4F)C3)c2C1 ZINC000364888622 511136242 /nfs/dbraw/zinc/13/62/42/511136242.db2.gz MWMIWONXGFOOLZ-HNNXBMFYSA-N 1 2 366.444 2.556 20 30 FFEDLO C[N@H+]1CCc2ncnc(N[C@H]3CCCN(c4ccc(C#N)cc4F)C3)c2C1 ZINC000364888622 511136248 /nfs/dbraw/zinc/13/62/48/511136248.db2.gz MWMIWONXGFOOLZ-HNNXBMFYSA-N 1 2 366.444 2.556 20 30 FFEDLO C[C@H]1C[C@H](CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000332875694 511136495 /nfs/dbraw/zinc/13/64/95/511136495.db2.gz DEDDEKNZBNHYNH-ZWKOTPCHSA-N 1 2 370.497 2.591 20 30 FFEDLO N#CC1CCC(CNC(=O)N2CCC[N@H+](Cc3cscn3)CC2)CC1 ZINC000282884841 511147896 /nfs/dbraw/zinc/14/78/96/511147896.db2.gz ZKJQMHNVGXLWAM-UHFFFAOYSA-N 1 2 361.515 2.690 20 30 FFEDLO N#CC1CCC(CNC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)CC1 ZINC000282884841 511147904 /nfs/dbraw/zinc/14/79/04/511147904.db2.gz ZKJQMHNVGXLWAM-UHFFFAOYSA-N 1 2 361.515 2.690 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000271386869 511186559 /nfs/dbraw/zinc/18/65/59/511186559.db2.gz SYCWZPVAAULQDH-QGZVFWFLSA-N 1 2 353.466 2.992 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000298442537 511286524 /nfs/dbraw/zinc/28/65/24/511286524.db2.gz DASFGPVSBQDBBE-SFHVURJKSA-N 1 2 369.490 2.917 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000298442537 511286529 /nfs/dbraw/zinc/28/65/29/511286529.db2.gz DASFGPVSBQDBBE-SFHVURJKSA-N 1 2 369.490 2.917 20 30 FFEDLO Cc1cccc([C@H](CNc2ncc([N+](=O)[O-])cc2C#N)[NH+]2CCOCC2)c1 ZINC000298496974 511304533 /nfs/dbraw/zinc/30/45/33/511304533.db2.gz ZVQUJPJJMZBXNZ-SFHVURJKSA-N 1 2 367.409 2.655 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC=C(c3cccnc3)C2)C1=O ZINC000298537120 511321102 /nfs/dbraw/zinc/32/11/02/511321102.db2.gz MUMBAVAEPHEPQC-KRWDZBQOSA-N 1 2 350.447 2.909 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC=C(c3cccnc3)C2)C1=O ZINC000298537120 511321105 /nfs/dbraw/zinc/32/11/05/511321105.db2.gz MUMBAVAEPHEPQC-KRWDZBQOSA-N 1 2 350.447 2.909 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nc1 ZINC000271797575 511328166 /nfs/dbraw/zinc/32/81/66/511328166.db2.gz KNHKAWZZOGSNFL-UHFFFAOYSA-N 1 2 365.393 2.532 20 30 FFEDLO CO[C@@H]1[C@@H](C)[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1(C)C ZINC000271798868 511328665 /nfs/dbraw/zinc/32/86/65/511328665.db2.gz KQZTXYYUISJXFU-JBBXEZCESA-N 1 2 368.481 2.706 20 30 FFEDLO C[C@@H]1C(=O)CC[C@H]1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000280099818 511335912 /nfs/dbraw/zinc/33/59/12/511335912.db2.gz ZXPORPNPJPBMQC-LPHOPBHVSA-N 1 2 353.466 2.598 20 30 FFEDLO C[C@@H]1C(=O)CC[C@H]1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000280099818 511335917 /nfs/dbraw/zinc/33/59/17/511335917.db2.gz ZXPORPNPJPBMQC-LPHOPBHVSA-N 1 2 353.466 2.598 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c(C#N)c1C ZINC000291880842 511376195 /nfs/dbraw/zinc/37/61/95/511376195.db2.gz QFFVOOFALDWUFC-VFNWGFHPSA-N 1 2 367.449 2.731 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@](CO)(c3ccccc3)C2)c(C#N)c1C ZINC000291880842 511376200 /nfs/dbraw/zinc/37/62/00/511376200.db2.gz QFFVOOFALDWUFC-VFNWGFHPSA-N 1 2 367.449 2.731 20 30 FFEDLO C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292042874 511442398 /nfs/dbraw/zinc/44/23/98/511442398.db2.gz ARTDUHMUJDENGN-CRAIPNDOSA-N 1 2 360.421 2.748 20 30 FFEDLO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292042874 511442403 /nfs/dbraw/zinc/44/24/03/511442403.db2.gz ARTDUHMUJDENGN-CRAIPNDOSA-N 1 2 360.421 2.748 20 30 FFEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292172285 511493526 /nfs/dbraw/zinc/49/35/26/511493526.db2.gz LZAJTBCDDHWDNQ-YOEHRIQHSA-N 1 2 368.412 2.881 20 30 FFEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292172285 511493532 /nfs/dbraw/zinc/49/35/32/511493532.db2.gz LZAJTBCDDHWDNQ-YOEHRIQHSA-N 1 2 368.412 2.881 20 30 FFEDLO CCCCC[N@H+](CC(N)=O)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000272497565 511496166 /nfs/dbraw/zinc/49/61/66/511496166.db2.gz DCPSHHHNQOHDPI-UHFFFAOYSA-N 1 2 354.454 2.715 20 30 FFEDLO CCCCC[N@@H+](CC(N)=O)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000272497565 511496171 /nfs/dbraw/zinc/49/61/71/511496171.db2.gz DCPSHHHNQOHDPI-UHFFFAOYSA-N 1 2 354.454 2.715 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000272504220 511496401 /nfs/dbraw/zinc/49/64/01/511496401.db2.gz FBLCYCLXVCYCRY-INIZCTEOSA-N 1 2 354.454 2.956 20 30 FFEDLO CCc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC000272520761 511497698 /nfs/dbraw/zinc/49/76/98/511497698.db2.gz HFZXGESYOQIGQA-UHFFFAOYSA-N 1 2 351.458 2.885 20 30 FFEDLO CCOC(=O)c1sc2nc(C[NH+]3CCC(C)(C#N)CC3)nc(N)c2c1C ZINC000272569198 511500109 /nfs/dbraw/zinc/50/01/09/511500109.db2.gz MVZYERUBXDGKPN-UHFFFAOYSA-N 1 2 373.482 2.884 20 30 FFEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](Cc2ccno2)CC1 ZINC000272651962 511502452 /nfs/dbraw/zinc/50/24/52/511502452.db2.gz NDIJSYBLVDZTAY-INIZCTEOSA-N 1 2 361.243 2.820 20 30 FFEDLO Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1C ZINC000292246358 511520074 /nfs/dbraw/zinc/52/00/74/511520074.db2.gz QOHYVQLUUSKZNA-KRWDZBQOSA-N 1 2 350.422 2.662 20 30 FFEDLO Cc1cccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1C ZINC000292246358 511520078 /nfs/dbraw/zinc/52/00/78/511520078.db2.gz QOHYVQLUUSKZNA-KRWDZBQOSA-N 1 2 350.422 2.662 20 30 FFEDLO CCCC[C@H](ON=C(C)C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000273410926 511524236 /nfs/dbraw/zinc/52/42/36/511524236.db2.gz HVFDNJVMUKZNTF-KRWDZBQOSA-N 1 2 362.474 2.506 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)o2)cc1 ZINC000292290793 511538878 /nfs/dbraw/zinc/53/88/78/511538878.db2.gz UELSUEMDZGJERF-KRWDZBQOSA-N 1 2 372.388 2.528 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)o2)cc1 ZINC000292290793 511538882 /nfs/dbraw/zinc/53/88/82/511538882.db2.gz UELSUEMDZGJERF-KRWDZBQOSA-N 1 2 372.388 2.528 20 30 FFEDLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292288933 511539656 /nfs/dbraw/zinc/53/96/56/511539656.db2.gz UCIUVKSAZYVGNS-DOMZBBRYSA-N 1 2 372.375 2.712 20 30 FFEDLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292288933 511539662 /nfs/dbraw/zinc/53/96/62/511539662.db2.gz UCIUVKSAZYVGNS-DOMZBBRYSA-N 1 2 372.375 2.712 20 30 FFEDLO Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)c1 ZINC000292300497 511542747 /nfs/dbraw/zinc/54/27/47/511542747.db2.gz UTYKFAOJSKRENN-SFHVURJKSA-N 1 2 364.449 2.970 20 30 FFEDLO Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)c1 ZINC000292300497 511542753 /nfs/dbraw/zinc/54/27/53/511542753.db2.gz UTYKFAOJSKRENN-SFHVURJKSA-N 1 2 364.449 2.970 20 30 FFEDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)s1 ZINC000273722532 511587965 /nfs/dbraw/zinc/58/79/65/511587965.db2.gz SAVXPBPVRLDSIX-RYUDHWBXSA-N 1 2 361.446 2.972 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CC(C)(C)CC#N)c1cccc(F)c1 ZINC000296032316 511595630 /nfs/dbraw/zinc/59/56/30/511595630.db2.gz SBSXKOZLSCJMJX-HNNXBMFYSA-N 1 2 364.446 2.508 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000299342717 511599099 /nfs/dbraw/zinc/59/90/99/511599099.db2.gz UIODRHZQCXGXTR-KDOFPFPSSA-N 1 2 373.453 2.624 20 30 FFEDLO N#Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000280783503 511601458 /nfs/dbraw/zinc/60/14/58/511601458.db2.gz PSWILAOTFLOSEP-UXHICEINSA-N 1 2 364.405 2.556 20 30 FFEDLO N#Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000280783503 511601464 /nfs/dbraw/zinc/60/14/64/511601464.db2.gz PSWILAOTFLOSEP-UXHICEINSA-N 1 2 364.405 2.556 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000284747869 511850270 /nfs/dbraw/zinc/85/02/70/511850270.db2.gz JFLCFXPRECJFCX-USXIJHARSA-N 1 2 365.271 2.683 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000284747869 511850279 /nfs/dbraw/zinc/85/02/79/511850279.db2.gz JFLCFXPRECJFCX-USXIJHARSA-N 1 2 365.271 2.683 20 30 FFEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NCc2ccoc2)on1 ZINC000328627859 511898702 /nfs/dbraw/zinc/89/87/02/511898702.db2.gz GRFAYUABJOAYHO-GJZGRUSLSA-N 1 2 350.394 2.534 20 30 FFEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NCc2ccoc2)on1 ZINC000328627859 511898705 /nfs/dbraw/zinc/89/87/05/511898705.db2.gz GRFAYUABJOAYHO-GJZGRUSLSA-N 1 2 350.394 2.534 20 30 FFEDLO O=C(NCCC1(O)CCC1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000328877095 511944200 /nfs/dbraw/zinc/94/42/00/511944200.db2.gz KKXAFUWJXKFJPL-UHFFFAOYSA-N 1 2 351.878 2.677 20 30 FFEDLO C[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1nnc2n1CCCC2 ZINC000328952562 511955747 /nfs/dbraw/zinc/95/57/47/511955747.db2.gz XSJKBOUBGRQROR-OAHLLOKOSA-N 1 2 369.469 2.512 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000281765150 511958460 /nfs/dbraw/zinc/95/84/60/511958460.db2.gz JCKQJSPKXDDMFZ-OLMNPRSZSA-N 1 2 372.444 2.929 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)N[C@H]3CCC[C@@H](C)[C@H]3C)CC[C@@H]21 ZINC000328987914 511962134 /nfs/dbraw/zinc/96/21/34/511962134.db2.gz CFOCQWSDLBADKC-UUAJXVIYSA-N 1 2 350.507 2.849 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)N[C@H]3CCC[C@@H](C)[C@H]3C)CC[C@@H]21 ZINC000328987914 511962139 /nfs/dbraw/zinc/96/21/39/511962139.db2.gz CFOCQWSDLBADKC-UUAJXVIYSA-N 1 2 350.507 2.849 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CCCC(F)(F)C1)C1CCOCC1 ZINC000328989127 511962580 /nfs/dbraw/zinc/96/25/80/511962580.db2.gz FELURKUPQSXMOI-UONOGXRCSA-N 1 2 356.417 2.969 20 30 FFEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000328997985 511963962 /nfs/dbraw/zinc/96/39/62/511963962.db2.gz FZWCTPQSZHWINC-BRWVUGGUSA-N 1 2 358.442 2.704 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)C2CCSCC2)CCC(=O)N1C1CC1 ZINC000329044084 511972998 /nfs/dbraw/zinc/97/29/98/511972998.db2.gz UHNHPCPEJLHMLY-RHSMWYFYSA-N 1 2 362.499 2.714 20 30 FFEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)NCC3(C)CCOCC3)CC2)cs1 ZINC000329056563 511974762 /nfs/dbraw/zinc/97/47/62/511974762.db2.gz SQIVMDSWSVXTCP-UHFFFAOYSA-N 1 2 366.531 2.690 20 30 FFEDLO Cc1nc(C[N@H+]2CCCN(C(=O)NCC3(C)CCOCC3)CC2)cs1 ZINC000329056563 511974768 /nfs/dbraw/zinc/97/47/68/511974768.db2.gz SQIVMDSWSVXTCP-UHFFFAOYSA-N 1 2 366.531 2.690 20 30 FFEDLO CCn1ccnc1[C@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)C1CCOCC1 ZINC000329089395 511980520 /nfs/dbraw/zinc/98/05/20/511980520.db2.gz VYGBPQRCJCQPAI-GDBMZVCRSA-N 1 2 366.531 2.765 20 30 FFEDLO CO[C@]1(C)CCCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CC1 ZINC000329360516 512033002 /nfs/dbraw/zinc/03/30/02/512033002.db2.gz YAKCKBOVNNOZRG-QFBILLFUSA-N 1 2 364.490 2.693 20 30 FFEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000329485665 512055462 /nfs/dbraw/zinc/05/54/62/512055462.db2.gz XDNLSARWPHYBEX-BPQIPLTHSA-N 1 2 359.470 2.638 20 30 FFEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000329485665 512055469 /nfs/dbraw/zinc/05/54/69/512055469.db2.gz XDNLSARWPHYBEX-BPQIPLTHSA-N 1 2 359.470 2.638 20 30 FFEDLO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000329892612 512105786 /nfs/dbraw/zinc/10/57/86/512105786.db2.gz AHRGSMVFANHZCF-CQSZACIVSA-N 1 2 367.453 2.778 20 30 FFEDLO CCN1CCN(CC(=O)Nc2nc3c(s2)CCCC3)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329899378 512105933 /nfs/dbraw/zinc/10/59/33/512105933.db2.gz FKXADQMRAMIPHY-CQSZACIVSA-N 1 2 374.514 2.712 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000375767502 512496306 /nfs/dbraw/zinc/49/63/06/512496306.db2.gz FQUIJWRQQDVFFK-ZWKOTPCHSA-N 1 2 361.417 2.567 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000375767502 512496311 /nfs/dbraw/zinc/49/63/11/512496311.db2.gz FQUIJWRQQDVFFK-ZWKOTPCHSA-N 1 2 361.417 2.567 20 30 FFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000411194516 512514379 /nfs/dbraw/zinc/51/43/79/512514379.db2.gz QNJNHIOUPAEWIE-OAHLLOKOSA-N 1 2 371.441 2.960 20 30 FFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000411194516 512514383 /nfs/dbraw/zinc/51/43/83/512514383.db2.gz QNJNHIOUPAEWIE-OAHLLOKOSA-N 1 2 371.441 2.960 20 30 FFEDLO Cn1cc[nH+]c1CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000367497359 512529924 /nfs/dbraw/zinc/52/99/24/512529924.db2.gz LJVHKEDPJNDICF-UHFFFAOYSA-N 1 2 371.872 2.868 20 30 FFEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000411227440 512530748 /nfs/dbraw/zinc/53/07/48/512530748.db2.gz OZIJTRFRVVVRIY-CYBMUJFWSA-N 1 2 350.260 2.899 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(-c2ncco2)cc1F ZINC000411305467 512572030 /nfs/dbraw/zinc/57/20/30/512572030.db2.gz JVIAJOYMGQYQFP-UHFFFAOYSA-N 1 2 358.417 2.529 20 30 FFEDLO Cn1cccc1[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411556099 512687025 /nfs/dbraw/zinc/68/70/25/512687025.db2.gz SXCCGXFTOROGJU-GOSISDBHSA-N 1 2 372.856 2.952 20 30 FFEDLO Cn1cccc1[C@H]1COCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411556099 512687030 /nfs/dbraw/zinc/68/70/30/512687030.db2.gz SXCCGXFTOROGJU-GOSISDBHSA-N 1 2 372.856 2.952 20 30 FFEDLO CCN1CCN(Cc2ccc(Br)cc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000367863883 512694975 /nfs/dbraw/zinc/69/49/75/512694975.db2.gz GKEJLEHXAXYMHY-MRXNPFEDSA-N 1 2 374.286 2.923 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c(C#N)c1C ZINC000411935458 512880627 /nfs/dbraw/zinc/88/06/27/512880627.db2.gz IEZPXIXRJDVWLS-WBVHZDCISA-N 1 2 355.463 2.983 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c(C#N)c1C ZINC000411935458 512880631 /nfs/dbraw/zinc/88/06/31/512880631.db2.gz IEZPXIXRJDVWLS-WBVHZDCISA-N 1 2 355.463 2.983 20 30 FFEDLO N#CCCCOc1cccc(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000370355490 512890277 /nfs/dbraw/zinc/89/02/77/512890277.db2.gz OUOARRGTJPWHQN-GOSISDBHSA-N 1 2 356.447 2.987 20 30 FFEDLO Cc1ccc2[nH+]c(CNC(=O)c3ccn(-c4cccc(C#N)c4)n3)cn2c1 ZINC000409488443 513113138 /nfs/dbraw/zinc/11/31/38/513113138.db2.gz VIJGMEYAQCUDPJ-UHFFFAOYSA-N 1 2 356.389 2.630 20 30 FFEDLO C=CCN1CC(=O)N([C@H]2CC[N@@H+](CC)[C@H]2c2cc(F)c(F)c(F)c2)C1=O ZINC000372967018 513117588 /nfs/dbraw/zinc/11/75/88/513117588.db2.gz SPXOMRQOVGDXRF-YOEHRIQHSA-N 1 2 367.371 2.689 20 30 FFEDLO C=CCN1CC(=O)N([C@H]2CC[N@H+](CC)[C@H]2c2cc(F)c(F)c(F)c2)C1=O ZINC000372967018 513117591 /nfs/dbraw/zinc/11/75/91/513117591.db2.gz SPXOMRQOVGDXRF-YOEHRIQHSA-N 1 2 367.371 2.689 20 30 FFEDLO CCOC(=O)c1c(NC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c(C#N)cn1CC ZINC000421183722 513140813 /nfs/dbraw/zinc/14/08/13/513140813.db2.gz OGRCXXZYWBDZKH-DGCLKSJQSA-N 1 2 370.413 2.580 20 30 FFEDLO N#Cc1cnc(N2CC[NH+](Cc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000450396926 513175108 /nfs/dbraw/zinc/17/51/08/513175108.db2.gz WZCCUPQAMDGWRX-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO C[C@H](c1nnc(SC[C@H](O)CC#N)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000450595556 513267468 /nfs/dbraw/zinc/26/74/68/513267468.db2.gz QYXFPMKHOBEPTE-BXUZGUMPSA-N 1 2 365.890 2.910 20 30 FFEDLO C[C@H]1C[N@@H+]([C@@H](CNc2nccc(C#N)c2Cl)c2cccs2)CCO1 ZINC000429196434 513302203 /nfs/dbraw/zinc/30/22/03/513302203.db2.gz JZQVOBRHMNMIKY-JSGCOSHPSA-N 1 2 362.886 2.964 20 30 FFEDLO C[C@H]1C[N@H+]([C@@H](CNc2nccc(C#N)c2Cl)c2cccs2)CCO1 ZINC000429196434 513302212 /nfs/dbraw/zinc/30/22/12/513302212.db2.gz JZQVOBRHMNMIKY-JSGCOSHPSA-N 1 2 362.886 2.964 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429266769 513321738 /nfs/dbraw/zinc/32/17/38/513321738.db2.gz YFTDMZKMEHJMFW-QINHECLXSA-N 1 2 360.477 2.779 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429266769 513321741 /nfs/dbraw/zinc/32/17/41/513321741.db2.gz YFTDMZKMEHJMFW-QINHECLXSA-N 1 2 360.477 2.779 20 30 FFEDLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1CC(=O)NCC#N ZINC000429284390 513326457 /nfs/dbraw/zinc/32/64/57/513326457.db2.gz KCTROIONJGGDBV-GOSISDBHSA-N 1 2 362.905 2.512 20 30 FFEDLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1CC(=O)NCC#N ZINC000429284390 513326463 /nfs/dbraw/zinc/32/64/63/513326463.db2.gz KCTROIONJGGDBV-GOSISDBHSA-N 1 2 362.905 2.512 20 30 FFEDLO CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[N@@H+]1CC(=O)NCC#N ZINC000429284390 513326473 /nfs/dbraw/zinc/32/64/73/513326473.db2.gz KCTROIONJGGDBV-GOSISDBHSA-N 1 2 362.905 2.512 20 30 FFEDLO CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[N@H+]1CC(=O)NCC#N ZINC000429284390 513326478 /nfs/dbraw/zinc/32/64/78/513326478.db2.gz KCTROIONJGGDBV-GOSISDBHSA-N 1 2 362.905 2.512 20 30 FFEDLO Cc1cc(NCc2ccc[nH+]c2N2CCOCC2)c(C#N)cc1[N+](=O)[O-] ZINC000413040890 513401866 /nfs/dbraw/zinc/40/18/66/513401866.db2.gz IZIFJZYGLNNXIB-UHFFFAOYSA-N 1 2 353.382 2.619 20 30 FFEDLO Cc1cc(NC[C@H](CO)Cc2cccc(Br)c2)c(C#N)c[nH+]1 ZINC000425257219 513477816 /nfs/dbraw/zinc/47/78/16/513477816.db2.gz IJNFVDPLLIYZJI-CQSZACIVSA-N 1 2 360.255 2.709 20 30 FFEDLO Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(C#N)s2)[NH+]2CCCC2)o1 ZINC000435421552 513578772 /nfs/dbraw/zinc/57/87/72/513578772.db2.gz JZNSTBYKGGWRAE-CQSZACIVSA-N 1 2 365.480 2.637 20 30 FFEDLO Cc1c(C#N)cccc1NC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000441621489 513601412 /nfs/dbraw/zinc/60/14/12/513601412.db2.gz OJUXNHRXQOJPJL-HXUWFJFHSA-N 1 2 372.469 2.794 20 30 FFEDLO Cc1cc(NC(=O)C(=O)NCC2(CC#N)CC2)ccc1Oc1cc[nH+]cc1 ZINC000430353682 513631796 /nfs/dbraw/zinc/63/17/96/513631796.db2.gz MQNHYQHJTSWDIO-UHFFFAOYSA-N 1 2 364.405 2.931 20 30 FFEDLO C=CCCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000448390370 513748732 /nfs/dbraw/zinc/74/87/32/513748732.db2.gz UFAPXZQUJGGMTM-IAGOWNOFSA-N 1 2 351.878 2.977 20 30 FFEDLO C=CCCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000448390370 513748736 /nfs/dbraw/zinc/74/87/36/513748736.db2.gz UFAPXZQUJGGMTM-IAGOWNOFSA-N 1 2 351.878 2.977 20 30 FFEDLO N#C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000425799326 513753638 /nfs/dbraw/zinc/75/36/38/513753638.db2.gz BHHMEWVGEAPJKW-DZGCQCFKSA-N 1 2 350.378 2.621 20 30 FFEDLO CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)[C@H](C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000416461986 513784715 /nfs/dbraw/zinc/78/47/15/513784715.db2.gz ZQLRXUDFJNEYMD-XFBWCDHKSA-N 1 2 373.881 2.834 20 30 FFEDLO CC(C)[N@H+]1CC[C@H](NS(=O)(=O)[C@H](C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000416461986 513784722 /nfs/dbraw/zinc/78/47/22/513784722.db2.gz ZQLRXUDFJNEYMD-XFBWCDHKSA-N 1 2 373.881 2.834 20 30 FFEDLO Fc1ccc(C#CC[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)cc1 ZINC000436253192 513808182 /nfs/dbraw/zinc/80/81/82/513808182.db2.gz LDVBRJAWOFCMOQ-YADHBBJMSA-N 1 2 350.437 2.762 20 30 FFEDLO Fc1ccc(C#CC[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)cc1 ZINC000436253192 513808189 /nfs/dbraw/zinc/80/81/89/513808189.db2.gz LDVBRJAWOFCMOQ-YADHBBJMSA-N 1 2 350.437 2.762 20 30 FFEDLO Fc1ccc(C#CCN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cc1 ZINC000436253192 513808196 /nfs/dbraw/zinc/80/81/96/513808196.db2.gz LDVBRJAWOFCMOQ-YADHBBJMSA-N 1 2 350.437 2.762 20 30 FFEDLO Fc1ccc(C#CCN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cc1 ZINC000436253192 513808204 /nfs/dbraw/zinc/80/82/04/513808204.db2.gz LDVBRJAWOFCMOQ-YADHBBJMSA-N 1 2 350.437 2.762 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1ncc(Br)cn1 ZINC000431099053 513826429 /nfs/dbraw/zinc/82/64/29/513826429.db2.gz QIIUQTIAJHWBNN-MNOVXSKESA-N 1 2 374.242 2.789 20 30 FFEDLO N#Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1Cn1cc[nH+]c1)CC2 ZINC000443025577 513845912 /nfs/dbraw/zinc/84/59/12/513845912.db2.gz KJSUCGIFDLZGJP-UHFFFAOYSA-N 1 2 364.430 2.554 20 30 FFEDLO N#Cc1ccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000426126888 513852859 /nfs/dbraw/zinc/85/28/59/513852859.db2.gz GVLBPODRZZJQRN-HNNXBMFYSA-N 1 2 362.861 2.930 20 30 FFEDLO COc1cc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)ccc1C#N ZINC000443073859 513864351 /nfs/dbraw/zinc/86/43/51/513864351.db2.gz XFOVPMRVBDKECB-IRLDBZIGSA-N 1 2 363.461 2.652 20 30 FFEDLO COc1cc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)ccc1C#N ZINC000443073859 513864356 /nfs/dbraw/zinc/86/43/56/513864356.db2.gz XFOVPMRVBDKECB-IRLDBZIGSA-N 1 2 363.461 2.652 20 30 FFEDLO N#Cc1c(F)cccc1C[N@@H+](CCC(N)=O)[C@@H]1CCOc2ccccc21 ZINC000451705533 513925459 /nfs/dbraw/zinc/92/54/59/513925459.db2.gz FGOOPRDDTQLKRG-GOSISDBHSA-N 1 2 353.397 2.899 20 30 FFEDLO N#Cc1c(F)cccc1C[N@H+](CCC(N)=O)[C@@H]1CCOc2ccccc21 ZINC000451705533 513925466 /nfs/dbraw/zinc/92/54/66/513925466.db2.gz FGOOPRDDTQLKRG-GOSISDBHSA-N 1 2 353.397 2.899 20 30 FFEDLO N#Cc1cccc(C(=O)NCc2cn3c([nH+]2)CCCC3)c1Br ZINC000448874927 513945769 /nfs/dbraw/zinc/94/57/69/513945769.db2.gz PUGYZRCCTCRTFC-UHFFFAOYSA-N 1 2 359.227 2.784 20 30 FFEDLO CC(C)(CNC(=O)N[C@@H](CCCC#N)c1ccccc1)[NH+]1CCOCC1 ZINC000431729154 513980712 /nfs/dbraw/zinc/98/07/12/513980712.db2.gz ZXTCGRQSRZGWCQ-SFHVURJKSA-N 1 2 358.486 2.832 20 30 FFEDLO C[C@H]1Cc2cccc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2O1 ZINC000449041715 514045080 /nfs/dbraw/zinc/04/50/80/514045080.db2.gz OFAXUTVJZJKIQS-INIZCTEOSA-N 1 2 361.445 2.840 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](CNc1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)CCC2 ZINC000443893390 514064545 /nfs/dbraw/zinc/06/45/45/514064545.db2.gz BAOBMBLAQSAUOG-CYBMUJFWSA-N 1 2 362.393 2.931 20 30 FFEDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451927457 514076618 /nfs/dbraw/zinc/07/66/18/514076618.db2.gz BSOQDEGXVNQBHZ-CQSZACIVSA-N 1 2 355.891 2.511 20 30 FFEDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451927457 514076624 /nfs/dbraw/zinc/07/66/24/514076624.db2.gz BSOQDEGXVNQBHZ-CQSZACIVSA-N 1 2 355.891 2.511 20 30 FFEDLO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000432263844 514140862 /nfs/dbraw/zinc/14/08/62/514140862.db2.gz JHLOHGBLNKYELY-KRWDZBQOSA-N 1 2 352.419 2.691 20 30 FFEDLO C=CCC(C)(C)CNC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000432575783 514230031 /nfs/dbraw/zinc/23/00/31/514230031.db2.gz ABSOVCNOEAZRJB-LJQANCHMSA-N 1 2 353.507 2.694 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000439108239 514494782 /nfs/dbraw/zinc/49/47/82/514494782.db2.gz RTCCYGBLJLGCPU-VFNWGFHPSA-N 1 2 365.477 2.934 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000439108239 514494786 /nfs/dbraw/zinc/49/47/86/514494786.db2.gz RTCCYGBLJLGCPU-VFNWGFHPSA-N 1 2 365.477 2.934 20 30 FFEDLO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1nc(-c2nc[nH]n2)no1 ZINC000439431428 514550317 /nfs/dbraw/zinc/55/03/17/514550317.db2.gz QIHJJUHPXAUDLI-CYBMUJFWSA-N 1 2 357.805 2.867 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)cc1F ZINC000450224618 514552064 /nfs/dbraw/zinc/55/20/64/514552064.db2.gz VORHYCUOECIEIF-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000455487857 514552444 /nfs/dbraw/zinc/55/24/44/514552444.db2.gz QTEZXUVPJICWDL-HNNXBMFYSA-N 1 2 355.442 2.694 20 30 FFEDLO C=CCc1cc(C[NH2+][C@H](C(=O)OCC)C2CCOCC2)cc(OC)c1O ZINC000475147735 514573773 /nfs/dbraw/zinc/57/37/73/514573773.db2.gz HLYRMQWVVVCIFH-SFHVURJKSA-N 1 2 363.454 2.577 20 30 FFEDLO C=CCCC1(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000475165656 514577929 /nfs/dbraw/zinc/57/79/29/514577929.db2.gz SLKJZPWGSDNQCD-UHFFFAOYSA-N 1 2 358.482 2.760 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)CC2)cc1 ZINC000502555415 514692948 /nfs/dbraw/zinc/69/29/48/514692948.db2.gz WNWFTHLDSAUXBJ-NRFANRHFSA-N 1 2 373.456 2.767 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)CC2)cc1 ZINC000502555415 514692955 /nfs/dbraw/zinc/69/29/55/514692955.db2.gz WNWFTHLDSAUXBJ-NRFANRHFSA-N 1 2 373.456 2.767 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000489078316 514697913 /nfs/dbraw/zinc/69/79/13/514697913.db2.gz QPUNNDWTUTUJES-FQEVSTJZSA-N 1 2 353.466 2.786 20 30 FFEDLO CC(C)[C@H](C)NC(=O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471002730 514711413 /nfs/dbraw/zinc/71/14/13/514711413.db2.gz AYSVZCRAUXDGDD-MAUKXSAKSA-N 1 2 362.905 2.683 20 30 FFEDLO CCN(CC)C(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000470998859 514711753 /nfs/dbraw/zinc/71/17/53/514711753.db2.gz YDYLALZULRYPJA-MAUKXSAKSA-N 1 2 362.905 2.779 20 30 FFEDLO CO[C@]1(C)C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000466675356 514725002 /nfs/dbraw/zinc/72/50/02/514725002.db2.gz HCCRAGBOOYSWEE-GHTZIAJQSA-N 1 2 370.497 2.589 20 30 FFEDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455791399 514741615 /nfs/dbraw/zinc/74/16/15/514741615.db2.gz IVBZCNGIJGABEB-UHFFFAOYSA-N 1 2 360.458 2.531 20 30 FFEDLO CC(C)(C)Oc1ccc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1C#N ZINC000455796277 514744216 /nfs/dbraw/zinc/74/42/16/514744216.db2.gz PRGUJSZOCUPWSS-UHFFFAOYSA-N 1 2 374.485 2.968 20 30 FFEDLO CC(C)(C)Oc1ccc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1C#N ZINC000455796277 514744228 /nfs/dbraw/zinc/74/42/28/514744228.db2.gz PRGUJSZOCUPWSS-UHFFFAOYSA-N 1 2 374.485 2.968 20 30 FFEDLO C[C@H](C(=O)c1c[nH]c2ncccc12)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000502703073 514747382 /nfs/dbraw/zinc/74/73/82/514747382.db2.gz VAPGUQFFJUAVDK-MRXNPFEDSA-N 1 2 373.460 2.824 20 30 FFEDLO COc1ccc(CN2CCC[N@H+](CC#Cc3ccc(F)cc3)CC2=O)cc1 ZINC000466885902 514815105 /nfs/dbraw/zinc/81/51/05/514815105.db2.gz BXPDHUXTTWRHAN-UHFFFAOYSA-N 1 2 366.436 2.920 20 30 FFEDLO COc1ccc(CN2CCC[N@@H+](CC#Cc3ccc(F)cc3)CC2=O)cc1 ZINC000466885902 514815116 /nfs/dbraw/zinc/81/51/16/514815116.db2.gz BXPDHUXTTWRHAN-UHFFFAOYSA-N 1 2 366.436 2.920 20 30 FFEDLO C=CC[N@@H+](Cc1nc([C@@H](C)OC)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000475879677 514841743 /nfs/dbraw/zinc/84/17/43/514841743.db2.gz JBMBVHRIFFPXGV-UONOGXRCSA-N 1 2 369.429 2.502 20 30 FFEDLO C=CC[N@H+](Cc1nc([C@@H](C)OC)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000475879677 514841753 /nfs/dbraw/zinc/84/17/53/514841753.db2.gz JBMBVHRIFFPXGV-UONOGXRCSA-N 1 2 369.429 2.502 20 30 FFEDLO C=CCCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000467092535 514896321 /nfs/dbraw/zinc/89/63/21/514896321.db2.gz CQLFUZOFDSBENS-IRXDYDNUSA-N 1 2 351.878 2.929 20 30 FFEDLO C=CCCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000467092535 514896332 /nfs/dbraw/zinc/89/63/32/514896332.db2.gz CQLFUZOFDSBENS-IRXDYDNUSA-N 1 2 351.878 2.929 20 30 FFEDLO COC(=O)C(C)(C)[NH+]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000489922805 515031210 /nfs/dbraw/zinc/03/12/10/515031210.db2.gz IDHRLGBTXSHDTN-UHFFFAOYSA-N 1 2 355.360 2.651 20 30 FFEDLO C=CCC1(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CCCCC1 ZINC000456363844 515131659 /nfs/dbraw/zinc/13/16/59/515131659.db2.gz JBWGQUGDDADFJU-KRWDZBQOSA-N 1 2 360.502 2.878 20 30 FFEDLO C=CCC1(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CCCCC1 ZINC000456363844 515131667 /nfs/dbraw/zinc/13/16/67/515131667.db2.gz JBWGQUGDDADFJU-KRWDZBQOSA-N 1 2 360.502 2.878 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000509586224 515246302 /nfs/dbraw/zinc/24/63/02/515246302.db2.gz RIMUQAOHEFUVFR-UHFFFAOYSA-N 1 2 367.350 2.778 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000481363597 515304501 /nfs/dbraw/zinc/30/45/01/515304501.db2.gz XXUMNLWXKFUGSO-VQIMIIECSA-N 1 2 359.470 2.687 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000481363597 515304510 /nfs/dbraw/zinc/30/45/10/515304510.db2.gz XXUMNLWXKFUGSO-VQIMIIECSA-N 1 2 359.470 2.687 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000472657311 515354686 /nfs/dbraw/zinc/35/46/86/515354686.db2.gz XVXRRQFHNZVBEX-HOTGVXAUSA-N 1 2 360.433 2.621 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000472657311 515354695 /nfs/dbraw/zinc/35/46/95/515354695.db2.gz XVXRRQFHNZVBEX-HOTGVXAUSA-N 1 2 360.433 2.621 20 30 FFEDLO Cn1cc[nH+]c1CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000491646610 515463074 /nfs/dbraw/zinc/46/30/74/515463074.db2.gz JGNDTKHEGGVYEK-UHFFFAOYSA-N 1 2 353.304 2.555 20 30 FFEDLO CC(C)c1nc(C2CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)no1 ZINC000505288473 515496242 /nfs/dbraw/zinc/49/62/42/515496242.db2.gz WQDONUNOTIHGFK-LIRRHRJNSA-N 1 2 361.490 2.815 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000499940943 515525968 /nfs/dbraw/zinc/52/59/68/515525968.db2.gz UIRNARAYKMJCPM-FABXCBLPSA-N 1 2 355.841 2.545 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000454495404 515531572 /nfs/dbraw/zinc/53/15/72/515531572.db2.gz BHWIZIXTJZSPIK-SOLBZPMBSA-N 1 2 361.486 2.744 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000454495404 515531583 /nfs/dbraw/zinc/53/15/83/515531583.db2.gz BHWIZIXTJZSPIK-SOLBZPMBSA-N 1 2 361.486 2.744 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCCN(c3ccccc3Cl)C2=O)C1=O ZINC000499988457 515547328 /nfs/dbraw/zinc/54/73/28/515547328.db2.gz PLFFLDXRHDXSNP-DLBZAZTESA-N 1 2 361.873 2.554 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(c3ccccc3Cl)C2=O)C1=O ZINC000499988457 515547332 /nfs/dbraw/zinc/54/73/32/515547332.db2.gz PLFFLDXRHDXSNP-DLBZAZTESA-N 1 2 361.873 2.554 20 30 FFEDLO C[C@@H]1[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCOC1(C)C ZINC000477689273 515554410 /nfs/dbraw/zinc/55/44/10/515554410.db2.gz CTTYDCRCECEEEW-AWEZNQCLSA-N 1 2 368.399 2.672 20 30 FFEDLO C[C@@H]1[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCOC1(C)C ZINC000477689273 515554415 /nfs/dbraw/zinc/55/44/15/515554415.db2.gz CTTYDCRCECEEEW-AWEZNQCLSA-N 1 2 368.399 2.672 20 30 FFEDLO N#Cc1ccc(OCc2ccc(C(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)o2)cc1 ZINC000492778365 515562724 /nfs/dbraw/zinc/56/27/24/515562724.db2.gz QNNNJNXOMQCXBI-AWEZNQCLSA-N 1 2 362.389 2.741 20 30 FFEDLO N#Cc1ccc(OCc2ccc(C(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)o2)cc1 ZINC000492778365 515562727 /nfs/dbraw/zinc/56/27/27/515562727.db2.gz QNNNJNXOMQCXBI-AWEZNQCLSA-N 1 2 362.389 2.741 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)nc1 ZINC000510761237 515659757 /nfs/dbraw/zinc/65/97/57/515659757.db2.gz GUOFJBPSMVPENW-UHFFFAOYSA-N 1 2 370.840 2.715 20 30 FFEDLO C=CCN(CCOC)C(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000482371948 515662891 /nfs/dbraw/zinc/66/28/91/515662891.db2.gz YCPIWUPVIJDWPT-UHFFFAOYSA-N 1 2 353.466 2.887 20 30 FFEDLO C=CCN(CCOC)C(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000482371948 515662898 /nfs/dbraw/zinc/66/28/98/515662898.db2.gz YCPIWUPVIJDWPT-UHFFFAOYSA-N 1 2 353.466 2.887 20 30 FFEDLO CCN1CC[NH+]([C@@H](C)CNc2c(C#N)cnc3c(F)cc(F)cc32)CC1 ZINC000486926324 515687834 /nfs/dbraw/zinc/68/78/34/515687834.db2.gz IOFNGQOQWGJSIX-ZDUSSCGKSA-N 1 2 359.424 2.823 20 30 FFEDLO O=C(NCC#Cc1cccc(F)c1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000510870303 515694839 /nfs/dbraw/zinc/69/48/39/515694839.db2.gz ZUXZBIWFHMVVDQ-UHFFFAOYSA-N 1 2 362.408 2.921 20 30 FFEDLO C=C[C@@H]1CCCCN1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000494220739 515772916 /nfs/dbraw/zinc/77/29/16/515772916.db2.gz RXMUFJAKLNSTOY-SOLBZPMBSA-N 1 2 358.486 2.945 20 30 FFEDLO N#CC1(NC(=O)[C@@H]2CCCc3[nH]ncc32)CC[NH+](Cc2ccccc2)CC1 ZINC000482732594 515784526 /nfs/dbraw/zinc/78/45/26/515784526.db2.gz CGGSWSZRPXHSAN-QGZVFWFLSA-N 1 2 363.465 2.504 20 30 FFEDLO N#Cc1ccc(CN2CC[NH+](Cc3cnn(CC(F)(F)F)c3)CC2)cc1 ZINC000506113058 515785492 /nfs/dbraw/zinc/78/54/92/515785492.db2.gz PWUPMSVTZMFQFT-UHFFFAOYSA-N 1 2 363.387 2.635 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+](CCO)Cc3cccc(F)c3)o2)cc1 ZINC000494285364 515796099 /nfs/dbraw/zinc/79/60/99/515796099.db2.gz OXSMMZYPKMJXED-UHFFFAOYSA-N 1 2 352.369 2.742 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+](CCO)Cc3cccc(F)c3)o2)cc1 ZINC000494285364 515796106 /nfs/dbraw/zinc/79/61/06/515796106.db2.gz OXSMMZYPKMJXED-UHFFFAOYSA-N 1 2 352.369 2.742 20 30 FFEDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000469727198 515939574 /nfs/dbraw/zinc/93/95/74/515939574.db2.gz DNPWRBDIJPIGAV-MRXNPFEDSA-N 1 2 356.470 2.515 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000469727198 515939583 /nfs/dbraw/zinc/93/95/83/515939583.db2.gz DNPWRBDIJPIGAV-MRXNPFEDSA-N 1 2 356.470 2.515 20 30 FFEDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000464777753 515953376 /nfs/dbraw/zinc/95/33/76/515953376.db2.gz NHIDCZGLIHIAOM-LJQANCHMSA-N 1 2 351.406 2.733 20 30 FFEDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000464777753 515953382 /nfs/dbraw/zinc/95/33/82/515953382.db2.gz NHIDCZGLIHIAOM-LJQANCHMSA-N 1 2 351.406 2.733 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000487768736 515969443 /nfs/dbraw/zinc/96/94/43/515969443.db2.gz HRPOIYYHEZQQQM-MRXNPFEDSA-N 1 2 372.513 2.786 20 30 FFEDLO C=C[C@H]1CCCCN1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000495004910 516033858 /nfs/dbraw/zinc/03/38/58/516033858.db2.gz NEYAMJFRHIWFDJ-UXHICEINSA-N 1 2 357.498 2.680 20 30 FFEDLO Cc1[nH+]c2ccc(C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)cc2n1C ZINC000474423321 516038919 /nfs/dbraw/zinc/03/89/19/516038919.db2.gz YXUPXPSDJKRRFJ-NRFANRHFSA-N 1 2 373.460 2.904 20 30 FFEDLO Cc1nc(N2CC[NH+]([C@H](C)C(=O)Nc3cccc(F)c3)CC2)ccc1C#N ZINC000488070452 516103990 /nfs/dbraw/zinc/10/39/90/516103990.db2.gz OVDNTDCEICHGMZ-OAHLLOKOSA-N 1 2 367.428 2.550 20 30 FFEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 ZINC000507284651 516155411 /nfs/dbraw/zinc/15/54/11/516155411.db2.gz LYUUIWHNKFAAML-UHFFFAOYSA-N 1 2 374.444 2.876 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)NCCc1ccc(F)cc1)Cc1ccc(CO)o1 ZINC000512196206 516191540 /nfs/dbraw/zinc/19/15/40/516191540.db2.gz NOJWKQYFBVUSEA-UHFFFAOYSA-N 1 2 360.429 2.648 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)NCCc1ccc(F)cc1)Cc1ccc(CO)o1 ZINC000512196206 516191553 /nfs/dbraw/zinc/19/15/53/516191553.db2.gz NOJWKQYFBVUSEA-UHFFFAOYSA-N 1 2 360.429 2.648 20 30 FFEDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)Cc3cccc(C#N)c3)CC2)c1 ZINC000507387516 516199930 /nfs/dbraw/zinc/19/99/30/516199930.db2.gz YGJULVWHAPQDOO-UHFFFAOYSA-N 1 2 369.490 2.514 20 30 FFEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccncc1F ZINC000512242830 516209288 /nfs/dbraw/zinc/20/92/88/516209288.db2.gz XOMBUVKWQAEGNI-HNNXBMFYSA-N 1 2 367.428 2.681 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000512419945 516271281 /nfs/dbraw/zinc/27/12/81/516271281.db2.gz FSHJUTAVMNHANC-HNNXBMFYSA-N 1 2 360.458 2.955 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000512419945 516271286 /nfs/dbraw/zinc/27/12/86/516271286.db2.gz FSHJUTAVMNHANC-HNNXBMFYSA-N 1 2 360.458 2.955 20 30 FFEDLO CC[C@H](C)[N@H+](CC(=O)NCc1ccc(C#N)cc1)CC(=O)OC(C)(C)C ZINC000535406786 516342176 /nfs/dbraw/zinc/34/21/76/516342176.db2.gz KJZQQPHICVAEBV-HNNXBMFYSA-N 1 2 359.470 2.617 20 30 FFEDLO CC[C@H](C)[N@@H+](CC(=O)NCc1ccc(C#N)cc1)CC(=O)OC(C)(C)C ZINC000535406786 516342186 /nfs/dbraw/zinc/34/21/86/516342186.db2.gz KJZQQPHICVAEBV-HNNXBMFYSA-N 1 2 359.470 2.617 20 30 FFEDLO CC1(C#N)CC[NH+]([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000543717988 516388693 /nfs/dbraw/zinc/38/86/93/516388693.db2.gz LTWOENGEDVVZSX-AWEZNQCLSA-N 1 2 365.355 2.963 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1nc2c(cc1C#N)CCCC2(C)C ZINC000557696961 516390234 /nfs/dbraw/zinc/39/02/34/516390234.db2.gz JMQVXNWZVJSCNF-QAPCUYQASA-N 1 2 354.498 2.867 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000528439031 516439017 /nfs/dbraw/zinc/43/90/17/516439017.db2.gz LDQMBLCLUIGNAK-LJQANCHMSA-N 1 2 374.444 2.542 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000528439031 516439025 /nfs/dbraw/zinc/43/90/25/516439025.db2.gz LDQMBLCLUIGNAK-LJQANCHMSA-N 1 2 374.444 2.542 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc(-c4ccccc4)no3)CC2)s1 ZINC000535783735 516504922 /nfs/dbraw/zinc/50/49/22/516504922.db2.gz QSSJRFWYSTUFKP-UHFFFAOYSA-N 1 2 365.462 2.988 20 30 FFEDLO COc1ccc(C)cc1NC(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000517999465 516518782 /nfs/dbraw/zinc/51/87/82/516518782.db2.gz CPEGNYQFDRNSKN-UHFFFAOYSA-N 1 2 367.449 2.962 20 30 FFEDLO COc1ccc(C)cc1NC(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000517999465 516518788 /nfs/dbraw/zinc/51/87/88/516518788.db2.gz CPEGNYQFDRNSKN-UHFFFAOYSA-N 1 2 367.449 2.962 20 30 FFEDLO COC(=O)c1cccc(C[NH2+][C@H](c2ccccc2)[C@H](C)C(=O)OC)c1C#N ZINC000535963073 516572754 /nfs/dbraw/zinc/57/27/54/516572754.db2.gz IKEUMZNMJPQNQR-LIRRHRJNSA-N 1 2 366.417 2.985 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cnccc2C#N)[C@@H](C)C1 ZINC000518250994 516589402 /nfs/dbraw/zinc/58/94/02/516589402.db2.gz NQWZTTVHQMYDHM-INIZCTEOSA-N 1 2 364.449 2.698 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cnccc2C#N)[C@@H](C)C1 ZINC000518250994 516589411 /nfs/dbraw/zinc/58/94/11/516589411.db2.gz NQWZTTVHQMYDHM-INIZCTEOSA-N 1 2 364.449 2.698 20 30 FFEDLO Cc1nc(C[NH+]2CCN(c3cccc(-n4cccn4)c3C#N)CC2)cs1 ZINC000518563146 516706382 /nfs/dbraw/zinc/70/63/82/516706382.db2.gz VTCJWMKQGDMGEA-UHFFFAOYSA-N 1 2 364.478 2.831 20 30 FFEDLO Cc1sc(NC(=O)CN2CCN(c3c[nH+]ccc3C)CC2)c(C#N)c1C ZINC000536338447 516725835 /nfs/dbraw/zinc/72/58/35/516725835.db2.gz HKHNQCZLYQIOSN-UHFFFAOYSA-N 1 2 369.494 2.701 20 30 FFEDLO N#Cc1cc(NCC[NH+]2CCN(Cc3ccccc3)CC2)nc2ccccc12 ZINC000524580456 516756765 /nfs/dbraw/zinc/75/67/65/516756765.db2.gz UYVIOPWFXSDODK-UHFFFAOYSA-N 1 2 371.488 2.758 20 30 FFEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)CCCCC1 ZINC000548164349 516800539 /nfs/dbraw/zinc/80/05/39/516800539.db2.gz LLFBZJMRAASFCW-NRFANRHFSA-N 1 2 353.466 2.851 20 30 FFEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)CCCCC1 ZINC000548164349 516800549 /nfs/dbraw/zinc/80/05/49/516800549.db2.gz LLFBZJMRAASFCW-NRFANRHFSA-N 1 2 353.466 2.851 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000536551704 516821594 /nfs/dbraw/zinc/82/15/94/516821594.db2.gz YLOXDAPIHJDPFY-ICSRJNTNSA-N 1 2 355.388 2.941 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000536551704 516821600 /nfs/dbraw/zinc/82/16/00/516821600.db2.gz YLOXDAPIHJDPFY-ICSRJNTNSA-N 1 2 355.388 2.941 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC#Cc1cccc(F)c1)c1ccccc1 ZINC000558694966 516893601 /nfs/dbraw/zinc/89/36/01/516893601.db2.gz XHBWQIFCVGWZHY-LJQANCHMSA-N 1 2 362.408 3.000 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC#Cc1cccc(F)c1)c1ccccc1 ZINC000558694965 516894438 /nfs/dbraw/zinc/89/44/38/516894438.db2.gz XHBWQIFCVGWZHY-IBGZPJMESA-N 1 2 362.408 3.000 20 30 FFEDLO COc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc(Cl)c1OCC(C)C ZINC000555482768 516942610 /nfs/dbraw/zinc/94/26/10/516942610.db2.gz KTAWDZTULJNUBA-SFHVURJKSA-N 1 2 367.877 2.957 20 30 FFEDLO CCOc1ccc(-c2nc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cs2)cc1 ZINC000558897898 516994165 /nfs/dbraw/zinc/99/41/65/516994165.db2.gz FKAHYCFZIJVLSW-IBGZPJMESA-N 1 2 372.494 2.711 20 30 FFEDLO C=CCOc1ccc(/C=C\c2nc([C@H]3C[N@H+](C)CCN3C)no2)cc1OC ZINC000545090934 517049371 /nfs/dbraw/zinc/04/93/71/517049371.db2.gz ZZNQJCFYTYCWOF-DZFYGRHCSA-N 1 2 370.453 2.732 20 30 FFEDLO C=CCOc1ccc(/C=C\c2nc([C@H]3C[N@@H+](C)CCN3C)no2)cc1OC ZINC000545090934 517049377 /nfs/dbraw/zinc/04/93/77/517049377.db2.gz ZZNQJCFYTYCWOF-DZFYGRHCSA-N 1 2 370.453 2.732 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2cnc(-c3ccco3)s2)CC1 ZINC000562376491 517064072 /nfs/dbraw/zinc/06/40/72/517064072.db2.gz QKXDGCDNKKTCTL-UHFFFAOYSA-N 1 2 351.435 2.992 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2c2ccc(Br)cn2)C1=O ZINC000514802224 517065149 /nfs/dbraw/zinc/06/51/49/517065149.db2.gz UKXFURMZFKQDDL-HUUCEWRRSA-N 1 2 350.260 2.768 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)C1=O ZINC000514802224 517065161 /nfs/dbraw/zinc/06/51/61/517065161.db2.gz UKXFURMZFKQDDL-HUUCEWRRSA-N 1 2 350.260 2.768 20 30 FFEDLO CCc1oc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1C(=O)OC ZINC000559073179 517069904 /nfs/dbraw/zinc/06/99/04/517069904.db2.gz YMZUPJSKZBRFRB-UHFFFAOYSA-N 1 2 371.412 2.962 20 30 FFEDLO CC1(C)C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@](C)(C(F)(F)F)O1 ZINC000559320662 517178881 /nfs/dbraw/zinc/17/88/81/517178881.db2.gz LWKCWNAWMJXLIU-RHSMWYFYSA-N 1 2 372.387 2.730 20 30 FFEDLO CC1(C)C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@](C)(C(F)(F)F)O1 ZINC000559320662 517178891 /nfs/dbraw/zinc/17/88/91/517178891.db2.gz LWKCWNAWMJXLIU-RHSMWYFYSA-N 1 2 372.387 2.730 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000559420614 517245406 /nfs/dbraw/zinc/24/54/06/517245406.db2.gz UXYVRNLIYCBDLR-HNNXBMFYSA-N 1 2 356.470 2.712 20 30 FFEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000533024331 517256742 /nfs/dbraw/zinc/25/67/42/517256742.db2.gz VLVPUYGUBKFHLX-MAUKXSAKSA-N 1 2 357.454 2.528 20 30 FFEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000533024331 517256753 /nfs/dbraw/zinc/25/67/53/517256753.db2.gz VLVPUYGUBKFHLX-MAUKXSAKSA-N 1 2 357.454 2.528 20 30 FFEDLO CC#CC[N@@H+](C)CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000559459147 517266090 /nfs/dbraw/zinc/26/60/90/517266090.db2.gz NLWQGFFYTAJQIO-UHFFFAOYSA-N 1 2 359.451 2.721 20 30 FFEDLO CC#CC[N@H+](C)CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000559459147 517266097 /nfs/dbraw/zinc/26/60/97/517266097.db2.gz NLWQGFFYTAJQIO-UHFFFAOYSA-N 1 2 359.451 2.721 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000520172541 517288099 /nfs/dbraw/zinc/28/80/99/517288099.db2.gz NDRMKPHJZICWOG-UHFFFAOYSA-N 1 2 355.413 2.840 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000520172541 517288108 /nfs/dbraw/zinc/28/81/08/517288108.db2.gz NDRMKPHJZICWOG-UHFFFAOYSA-N 1 2 355.413 2.840 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)c1 ZINC000556179823 517303446 /nfs/dbraw/zinc/30/34/46/517303446.db2.gz PZLLKRWXZNYRSV-GOSISDBHSA-N 1 2 372.419 2.935 20 30 FFEDLO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c2[nH+]ccn21 ZINC000562731661 517349737 /nfs/dbraw/zinc/34/97/37/517349737.db2.gz XUGGXIPBNKOHGN-ZANVPECISA-N 1 2 370.356 2.758 20 30 FFEDLO CN(CC(C)(C)C#N)C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000562849472 517452590 /nfs/dbraw/zinc/45/25/90/517452590.db2.gz FJEVQACLVXSVCR-UHFFFAOYSA-N 1 2 352.394 2.821 20 30 FFEDLO Cc1cc(N2CC[NH+]([C@H](C)C(=O)Nc3cccc(F)c3)CC2)cc(C#N)n1 ZINC000552960675 517455663 /nfs/dbraw/zinc/45/56/63/517455663.db2.gz YYHLHTJZXXJICY-OAHLLOKOSA-N 1 2 367.428 2.550 20 30 FFEDLO Cc1cc(-c2noc([C@@H](C)[NH2+][C@@H](C)C(=O)NC3(C#N)CCC3)n2)ccc1F ZINC000527049494 517471611 /nfs/dbraw/zinc/47/16/11/517471611.db2.gz QSGDATOBBOEIAN-QWHCGFSZSA-N 1 2 371.416 2.786 20 30 FFEDLO C[C@@H]1C[C@H](NC(=O)NCCSCc2ccccc2C#N)c2[nH+]ccn21 ZINC000556524279 517477543 /nfs/dbraw/zinc/47/75/43/517477543.db2.gz YGCAUGLVBUAENE-CJNGLKHVSA-N 1 2 355.467 2.993 20 30 FFEDLO CC(C)(C)OC(=O)C1([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CCCC1 ZINC000533515132 517500137 /nfs/dbraw/zinc/50/01/37/517500137.db2.gz UBLLCLJAMPVJFT-MRXNPFEDSA-N 1 2 360.454 2.542 20 30 FFEDLO CN(Cc1cccc(C#N)c1)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000520780303 517510219 /nfs/dbraw/zinc/51/02/19/517510219.db2.gz MHLJHJSQZWYPRD-CQSZACIVSA-N 1 2 350.344 2.986 20 30 FFEDLO C=CCOc1cccnc1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000538236694 517518273 /nfs/dbraw/zinc/51/82/73/517518273.db2.gz YUFRISUJFFOLCN-UHFFFAOYSA-N 1 2 352.438 2.962 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000538368300 517589778 /nfs/dbraw/zinc/58/97/78/517589778.db2.gz BBZXKQZSADRPGK-ICSRJNTNSA-N 1 2 359.514 2.974 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(CC#N)cc3)c[nH+]2)C[C@H](C)O1 ZINC000533925536 517670604 /nfs/dbraw/zinc/67/06/04/517670604.db2.gz VOZFDKPWJGJREO-IYBDPMFKSA-N 1 2 364.449 2.691 20 30 FFEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000560310108 517689301 /nfs/dbraw/zinc/68/93/01/517689301.db2.gz ZTDMJXVMKMKSKV-GOSISDBHSA-N 1 2 373.416 2.776 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000538663594 517709358 /nfs/dbraw/zinc/70/93/58/517709358.db2.gz AWCJVLWAPWJQTP-QGZVFWFLSA-N 1 2 372.517 2.794 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000538663594 517709364 /nfs/dbraw/zinc/70/93/64/517709364.db2.gz AWCJVLWAPWJQTP-QGZVFWFLSA-N 1 2 372.517 2.794 20 30 FFEDLO CCN1CCN(c2ccc(Br)cc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000530534326 517836289 /nfs/dbraw/zinc/83/62/89/517836289.db2.gz MCDGLCUJHLASLI-HNNXBMFYSA-N 1 2 360.259 2.927 20 30 FFEDLO C[NH+](C)Cc1nc(C2(NC(=O)c3ccc(C#N)cc3)CCCCCC2)no1 ZINC000516774666 517838057 /nfs/dbraw/zinc/83/80/57/517838057.db2.gz AQUHVYSAFKBGEK-UHFFFAOYSA-N 1 2 367.453 2.982 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2conc2Cc2ccccc2)CC1 ZINC000560533367 517877408 /nfs/dbraw/zinc/87/74/08/517877408.db2.gz FLKDBMUDPLHSPM-UHFFFAOYSA-N 1 2 359.433 2.854 20 30 FFEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000522833042 518168338 /nfs/dbraw/zinc/16/83/38/518168338.db2.gz GALICTYULAHWRJ-MRXNPFEDSA-N 1 2 367.424 2.982 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)nc1 ZINC000566819975 518217263 /nfs/dbraw/zinc/21/72/63/518217263.db2.gz IPEWCEJKUHWFCB-IBHIWXBSSA-N 1 2 367.474 2.905 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)nc1 ZINC000566819975 518217271 /nfs/dbraw/zinc/21/72/71/518217271.db2.gz IPEWCEJKUHWFCB-IBHIWXBSSA-N 1 2 367.474 2.905 20 30 FFEDLO CCCn1c(C)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2cc(OC)ccc21 ZINC000581313805 518225683 /nfs/dbraw/zinc/22/56/83/518225683.db2.gz SFNSTYJGLKHJRF-HXUWFJFHSA-N 1 2 356.470 2.942 20 30 FFEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000581316209 518227183 /nfs/dbraw/zinc/22/71/83/518227183.db2.gz MGGGYBMTWFGQJF-UHFFFAOYSA-N 1 2 372.354 2.569 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@@H](C)c2nc(C)no2)c(OC)c1 ZINC000563969551 518253587 /nfs/dbraw/zinc/25/35/87/518253587.db2.gz YQIFMFWDKACKKB-XJKSGUPXSA-N 1 2 361.442 2.548 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H](C)c2nc(C)no2)c(OC)c1 ZINC000563969551 518253592 /nfs/dbraw/zinc/25/35/92/518253592.db2.gz YQIFMFWDKACKKB-XJKSGUPXSA-N 1 2 361.442 2.548 20 30 FFEDLO Cc1nn(C)c(N2CCN(c3[nH+]ccc4cc(F)ccc43)CC2)c1C#N ZINC000575744103 518260514 /nfs/dbraw/zinc/26/05/14/518260514.db2.gz BXOSDKULDRYTJO-UHFFFAOYSA-N 1 2 350.401 2.614 20 30 FFEDLO Cc1c[nH+]c2cc(C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)ccn12 ZINC000572613716 518277353 /nfs/dbraw/zinc/27/73/53/518277353.db2.gz LFRKVVACOKYEKZ-IBGZPJMESA-N 1 2 359.433 2.665 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000567205341 518404119 /nfs/dbraw/zinc/40/41/19/518404119.db2.gz DUWNITAYWSFPFE-INIZCTEOSA-N 1 2 356.495 2.738 20 30 FFEDLO N#Cc1ccc(CN2CC[NH+](CCOc3ccccc3Cl)CC2)nc1 ZINC000564344731 518408787 /nfs/dbraw/zinc/40/87/87/518408787.db2.gz VXUXACLQEMEDQV-UHFFFAOYSA-N 1 2 356.857 2.803 20 30 FFEDLO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cc(C#N)c(SC)[nH]c1=O)c1ccco1 ZINC000581843825 518463771 /nfs/dbraw/zinc/46/37/71/518463771.db2.gz IUPPRAQFWFWYLG-BXUZGUMPSA-N 1 2 374.466 2.833 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC000576183070 518469093 /nfs/dbraw/zinc/46/90/93/518469093.db2.gz RTVKMLVUMDANMN-HNAYVOBHSA-N 1 2 362.905 2.905 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC000576183070 518469097 /nfs/dbraw/zinc/46/90/97/518469097.db2.gz RTVKMLVUMDANMN-HNAYVOBHSA-N 1 2 362.905 2.905 20 30 FFEDLO Cc1nsc(N2CCN(c3[nH+]c4cccc(F)c4n3C)CC2)c1C#N ZINC000581975934 518527087 /nfs/dbraw/zinc/52/70/87/518527087.db2.gz DZSVEQXVHBKYCI-UHFFFAOYSA-N 1 2 356.430 2.676 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000581981880 518530056 /nfs/dbraw/zinc/53/00/56/518530056.db2.gz LPACZECGXVCNKL-KSZLIROESA-N 1 2 354.454 2.790 20 30 FFEDLO CC[C@@H](CO)[NH+]1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000573157285 518531295 /nfs/dbraw/zinc/53/12/95/518531295.db2.gz ZKQGRLTUPPJQFR-ZDUSSCGKSA-N 1 2 372.694 2.867 20 30 FFEDLO CC[C@@H](c1ccccc1OC)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000579279685 518604255 /nfs/dbraw/zinc/60/42/55/518604255.db2.gz SNZKDPWOQAGWCE-KRWDZBQOSA-N 1 2 373.478 2.819 20 30 FFEDLO CC[C@@H](c1ccccc1OC)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000579279685 518604261 /nfs/dbraw/zinc/60/42/61/518604261.db2.gz SNZKDPWOQAGWCE-KRWDZBQOSA-N 1 2 373.478 2.819 20 30 FFEDLO N#Cc1ccccc1OCc1ccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)o1 ZINC000587061404 518674513 /nfs/dbraw/zinc/67/45/13/518674513.db2.gz BLHBMDXREJYNFF-HNNXBMFYSA-N 1 2 362.389 2.672 20 30 FFEDLO CC[C@@](C)(C(=O)OC)[N@@H+](Cc1cccc(C(=O)OC)c1C#N)CC1CC1 ZINC000570712263 518744794 /nfs/dbraw/zinc/74/47/94/518744794.db2.gz SOKUKJBSQHUREQ-FQEVSTJZSA-N 1 2 358.438 2.899 20 30 FFEDLO CC[C@@](C)(C(=O)OC)[N@H+](Cc1cccc(C(=O)OC)c1C#N)CC1CC1 ZINC000570712263 518744797 /nfs/dbraw/zinc/74/47/97/518744797.db2.gz SOKUKJBSQHUREQ-FQEVSTJZSA-N 1 2 358.438 2.899 20 30 FFEDLO C[C@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@H]1C(=O)OC(C)(C)C ZINC000573608668 518748837 /nfs/dbraw/zinc/74/88/37/518748837.db2.gz AOQMLZPYJYWEOE-XJKSGUPXSA-N 1 2 355.442 2.543 20 30 FFEDLO C[C@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@H]1C(=O)OC(C)(C)C ZINC000573608668 518748842 /nfs/dbraw/zinc/74/88/42/518748842.db2.gz AOQMLZPYJYWEOE-XJKSGUPXSA-N 1 2 355.442 2.543 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN([C@H](C(N)=O)c3ccccc3)CC2)cc1 ZINC000570727425 518752035 /nfs/dbraw/zinc/75/20/35/518752035.db2.gz CRMDGQBPZRNYPS-NRFANRHFSA-N 1 2 365.477 2.596 20 30 FFEDLO N#Cc1cc(F)ccc1CS(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000570768524 518767520 /nfs/dbraw/zinc/76/75/20/518767520.db2.gz VFSQDMMSPZDFLK-UHFFFAOYSA-N 1 2 370.409 2.503 20 30 FFEDLO Cn1cc[nH+]c1[C@H](CC(=O)NCC#Cc1cccc(F)c1)C(F)(F)F ZINC000576837233 518789486 /nfs/dbraw/zinc/78/94/86/518789486.db2.gz NPDHVIAWHFJEQA-AWEZNQCLSA-N 1 2 353.319 2.763 20 30 FFEDLO C=C(C)Cn1c(SCC(=O)N[C@H](C)c2[nH]cc[nH+]2)nnc1-c1ccco1 ZINC000565213755 518846548 /nfs/dbraw/zinc/84/65/48/518846548.db2.gz HFDIKFNJWFRWQU-GFCCVEGCSA-N 1 2 372.454 2.807 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)NCCCNc2cccc[nH+]2)CCCC1(C)C ZINC000573824260 518852326 /nfs/dbraw/zinc/85/23/26/518852326.db2.gz PDKZFJIHRZAYOS-INIZCTEOSA-N 1 2 358.486 2.593 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3c(Cl)cncc3[N+](=O)[O-])CC2)cc1 ZINC000589103431 518916641 /nfs/dbraw/zinc/91/66/41/518916641.db2.gz KPFDMJJUCGCZBR-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N[C@H](C#N)c1ccc(F)cc1)C(F)(F)F ZINC000565372386 518923241 /nfs/dbraw/zinc/92/32/41/518923241.db2.gz WJWIUOGFSFAIGL-CHWSQXEVSA-N 1 2 354.307 2.976 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1OC ZINC000568354429 518994741 /nfs/dbraw/zinc/99/47/41/518994741.db2.gz ULVFHLPCVJAXPX-LJQANCHMSA-N 1 2 365.495 2.661 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1OC ZINC000568354429 518994744 /nfs/dbraw/zinc/99/47/44/518994744.db2.gz ULVFHLPCVJAXPX-LJQANCHMSA-N 1 2 365.495 2.661 20 30 FFEDLO C=CC[N@@H+](CCN1CCNC1=O)Cc1cc(Br)ccc1F ZINC000583107544 519080175 /nfs/dbraw/zinc/08/01/75/519080175.db2.gz WZKAUIGMPZLZQK-UHFFFAOYSA-N 1 2 356.239 2.601 20 30 FFEDLO C=CC[N@H+](CCN1CCNC1=O)Cc1cc(Br)ccc1F ZINC000583107544 519080180 /nfs/dbraw/zinc/08/01/80/519080180.db2.gz WZKAUIGMPZLZQK-UHFFFAOYSA-N 1 2 356.239 2.601 20 30 FFEDLO N#CCCCCCC(=O)N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000589844706 519092567 /nfs/dbraw/zinc/09/25/67/519092567.db2.gz WEYKHEXXAMTNFB-SFHVURJKSA-N 1 2 363.889 2.992 20 30 FFEDLO N#Cc1ccc(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000580317099 519115981 /nfs/dbraw/zinc/11/59/81/519115981.db2.gz MPKXDBLGASZFEZ-UHFFFAOYSA-N 1 2 350.378 2.730 20 30 FFEDLO N#Cc1ccc(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000580317099 519115986 /nfs/dbraw/zinc/11/59/86/519115986.db2.gz MPKXDBLGASZFEZ-UHFFFAOYSA-N 1 2 350.378 2.730 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1ncc(C(F)(F)F)cn1 ZINC000565770175 519123196 /nfs/dbraw/zinc/12/31/96/519123196.db2.gz IQWGQNLBXOUUKX-OAHLLOKOSA-N 1 2 367.371 2.753 20 30 FFEDLO C=CCc1cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc(OC)c1OC ZINC000590006264 519126668 /nfs/dbraw/zinc/12/66/68/519126668.db2.gz DCDTVAVKWDQZHD-UHFFFAOYSA-N 1 2 354.406 2.731 20 30 FFEDLO Cc1cc(C#N)cnc1-c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000583304579 519177000 /nfs/dbraw/zinc/17/70/00/519177000.db2.gz KHNCERZQEIIIND-UHFFFAOYSA-N 1 2 361.405 2.811 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000565935062 519205410 /nfs/dbraw/zinc/20/54/10/519205410.db2.gz VTPWPCFOLDFUSQ-MSOLQXFVSA-N 1 2 358.486 2.851 20 30 FFEDLO C[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(Br)cc1 ZINC000583444097 519251420 /nfs/dbraw/zinc/25/14/20/519251420.db2.gz NBEFLNSWFIKSEU-LRDDRELGSA-N 1 2 352.276 2.903 20 30 FFEDLO CC(C)Oc1cc(Br)cc(NC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000574751359 519314023 /nfs/dbraw/zinc/31/40/23/519314023.db2.gz WUAWFVBEBLQKDI-OAHLLOKOSA-N 1 2 370.291 2.855 20 30 FFEDLO CC(C)Oc1cc(Br)cc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000574751359 519314026 /nfs/dbraw/zinc/31/40/26/519314026.db2.gz WUAWFVBEBLQKDI-OAHLLOKOSA-N 1 2 370.291 2.855 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1C#N ZINC000590762774 519356502 /nfs/dbraw/zinc/35/65/02/519356502.db2.gz UZKZZIHITXRZSJ-GUYCJALGSA-N 1 2 364.371 2.798 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1C#N ZINC000590762774 519356504 /nfs/dbraw/zinc/35/65/04/519356504.db2.gz UZKZZIHITXRZSJ-GUYCJALGSA-N 1 2 364.371 2.798 20 30 FFEDLO CC(C)c1cccc2c1CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C2 ZINC000580856296 519393259 /nfs/dbraw/zinc/39/32/59/519393259.db2.gz IQRXZTRIEBWRJR-UHFFFAOYSA-N 1 2 369.490 2.909 20 30 FFEDLO CC(C)c1cccc2c1CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C2 ZINC000580856296 519393268 /nfs/dbraw/zinc/39/32/68/519393268.db2.gz IQRXZTRIEBWRJR-UHFFFAOYSA-N 1 2 369.490 2.909 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)ccc1OC(F)F ZINC000580928968 519430649 /nfs/dbraw/zinc/43/06/49/519430649.db2.gz OIGHXOSROLMZRY-UHFFFAOYSA-N 1 2 374.391 2.885 20 30 FFEDLO N#CCCC1CC[NH+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000575056818 519477380 /nfs/dbraw/zinc/47/73/80/519477380.db2.gz UUVJHTULMIXSTD-UHFFFAOYSA-N 1 2 362.437 2.698 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC000575127906 519515656 /nfs/dbraw/zinc/51/56/56/519515656.db2.gz UIJGOGKYJAJVPF-GOSISDBHSA-N 1 2 360.364 2.726 20 30 FFEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NS(=O)(=O)c2ccc(C#N)o2)c(C)c1 ZINC000572349773 519569271 /nfs/dbraw/zinc/56/92/71/519569271.db2.gz BUQHCVGAMYBSGG-QGZVFWFLSA-N 1 2 370.434 2.684 20 30 FFEDLO Cc1sc2nc([C@H](C)[NH+]3C[C@@H](C)N(CC#N)[C@H](C)C3)nc(N)c2c1C ZINC000602853542 519927167 /nfs/dbraw/zinc/92/71/67/519927167.db2.gz JTISAULDWPWUHB-WZRBSPASSA-N 1 2 358.515 2.870 20 30 FFEDLO C[C@H]1C[NH+](CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@H](C)N1CC#N ZINC000602855544 519929222 /nfs/dbraw/zinc/92/92/22/519929222.db2.gz HYWNROLWNXSYFO-STQMWFEESA-N 1 2 354.376 2.562 20 30 FFEDLO CCOC(=O)c1csc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)n1 ZINC000602906966 519963969 /nfs/dbraw/zinc/96/39/69/519963969.db2.gz JJHRKTQISSGJKF-UHFFFAOYSA-N 1 2 356.451 2.966 20 30 FFEDLO N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000594446763 519971236 /nfs/dbraw/zinc/97/12/36/519971236.db2.gz SASIOTLNVTWRPB-SJORKVTESA-N 1 2 372.517 2.970 20 30 FFEDLO COc1cc(C)c([C@H](C)NC(=O)C[N@H+](C)[C@H]2CCC[C@@H]2C#N)cc1OC ZINC000602977419 520003065 /nfs/dbraw/zinc/00/30/65/520003065.db2.gz AWTLLSORQZLCOJ-UXLLHSPISA-N 1 2 359.470 2.814 20 30 FFEDLO COc1cc(C)c([C@H](C)NC(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc1OC ZINC000602977419 520003070 /nfs/dbraw/zinc/00/30/70/520003070.db2.gz AWTLLSORQZLCOJ-UXLLHSPISA-N 1 2 359.470 2.814 20 30 FFEDLO C[N@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602981092 520006152 /nfs/dbraw/zinc/00/61/52/520006152.db2.gz ZMGNHXYZXOPKFO-DZGCQCFKSA-N 1 2 355.360 2.825 20 30 FFEDLO C[N@@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602981092 520006160 /nfs/dbraw/zinc/00/61/60/520006160.db2.gz ZMGNHXYZXOPKFO-DZGCQCFKSA-N 1 2 355.360 2.825 20 30 FFEDLO COc1ccc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1OCCCC#N ZINC000594508332 520006951 /nfs/dbraw/zinc/00/69/51/520006951.db2.gz BGJVNTFYVBXPCP-INIZCTEOSA-N 1 2 371.441 2.637 20 30 FFEDLO Cc1nsc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1C#N ZINC000603010321 520021026 /nfs/dbraw/zinc/02/10/26/520021026.db2.gz PYYUXDSMNOYFEA-UHFFFAOYSA-N 1 2 374.495 2.593 20 30 FFEDLO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2ccc(C#N)c(C)c2)n1 ZINC000594582048 520038131 /nfs/dbraw/zinc/03/81/31/520038131.db2.gz DXXYKHJTFYOQHD-UHFFFAOYSA-N 1 2 364.496 2.966 20 30 FFEDLO COCC[N@H+](Cc1cn(-c2ccc(F)cc2)nn1)Cc1ccc(C#N)cc1 ZINC000600107071 520051838 /nfs/dbraw/zinc/05/18/38/520051838.db2.gz KJJSLXFKSPJEPK-UHFFFAOYSA-N 1 2 365.412 2.927 20 30 FFEDLO COCC[N@@H+](Cc1cn(-c2ccc(F)cc2)nn1)Cc1ccc(C#N)cc1 ZINC000600107071 520051843 /nfs/dbraw/zinc/05/18/43/520051843.db2.gz KJJSLXFKSPJEPK-UHFFFAOYSA-N 1 2 365.412 2.927 20 30 FFEDLO Cc1cc(N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000591823771 520053196 /nfs/dbraw/zinc/05/31/96/520053196.db2.gz QRZPOKHCRNQCPZ-QGZVFWFLSA-N 1 2 356.451 2.672 20 30 FFEDLO N#CC[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000594660834 520072509 /nfs/dbraw/zinc/07/25/09/520072509.db2.gz RQJGNOVIEQLLJF-DOMZBBRYSA-N 1 2 365.355 2.963 20 30 FFEDLO N#CC[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000594660834 520072514 /nfs/dbraw/zinc/07/25/14/520072514.db2.gz RQJGNOVIEQLLJF-DOMZBBRYSA-N 1 2 365.355 2.963 20 30 FFEDLO Cc1cccc(CC2C[NH+](CCS(=O)(=O)c3cccc(C#N)c3)C2)c1 ZINC000612677981 520085212 /nfs/dbraw/zinc/08/52/12/520085212.db2.gz NKMFJNWJPVXFAY-UHFFFAOYSA-N 1 2 354.475 2.815 20 30 FFEDLO Cc1cc(Br)cn2cc(CNC(=O)c3ccc(C#N)nc3)[nH+]c12 ZINC000612698349 520096451 /nfs/dbraw/zinc/09/64/51/520096451.db2.gz OGHQXOSZPOKBLK-UHFFFAOYSA-N 1 2 370.210 2.602 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000608800617 520132214 /nfs/dbraw/zinc/13/22/14/520132214.db2.gz SNVLAPGKBITYKG-WOJBJXKFSA-N 1 2 371.460 2.635 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000608800617 520132225 /nfs/dbraw/zinc/13/22/25/520132225.db2.gz SNVLAPGKBITYKG-WOJBJXKFSA-N 1 2 371.460 2.635 20 30 FFEDLO N#Cc1cccc(OCc2ccoc2C(=O)NCCCn2cc[nH+]c2)c1 ZINC000608837887 520142035 /nfs/dbraw/zinc/14/20/35/520142035.db2.gz AVWBXYLFDDZJOR-UHFFFAOYSA-N 1 2 350.378 2.747 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000594767475 520146170 /nfs/dbraw/zinc/14/61/70/520146170.db2.gz LDJJYNWFJFGFCT-QWHCGFSZSA-N 1 2 363.508 2.795 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000594767475 520146177 /nfs/dbraw/zinc/14/61/77/520146177.db2.gz LDJJYNWFJFGFCT-QWHCGFSZSA-N 1 2 363.508 2.795 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000609096915 520189904 /nfs/dbraw/zinc/18/99/04/520189904.db2.gz XGEKTFHKWAQCJA-IBGZPJMESA-N 1 2 359.433 2.534 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC3CCC(F)CC3)CC2)cc1 ZINC000592114248 520194231 /nfs/dbraw/zinc/19/42/31/520194231.db2.gz PCTSASOOVKGPAB-UHFFFAOYSA-N 1 2 358.461 2.914 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149685 520225394 /nfs/dbraw/zinc/22/53/94/520225394.db2.gz UNKZCYHEIMYOIM-BFUOFWGJSA-N 1 2 372.494 2.566 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149685 520225403 /nfs/dbraw/zinc/22/54/03/520225403.db2.gz UNKZCYHEIMYOIM-BFUOFWGJSA-N 1 2 372.494 2.566 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)CC1(C#N)CCOCC1 ZINC000597813846 520253962 /nfs/dbraw/zinc/25/39/62/520253962.db2.gz BNWKSZOSAKAAFK-QGZVFWFLSA-N 1 2 352.438 2.531 20 30 FFEDLO Cc1cc(C)c(NC(=O)C(=O)NC(C)(C)c2cccc(C#N)c2)c(C)[nH+]1 ZINC000595106384 520296941 /nfs/dbraw/zinc/29/69/41/520296941.db2.gz VSQRRSSGCJEJNJ-UHFFFAOYSA-N 1 2 350.422 2.869 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000609485673 520328076 /nfs/dbraw/zinc/32/80/76/520328076.db2.gz UYYSZROODJLEJE-YWOLTOGESA-N 1 2 372.557 2.626 20 30 FFEDLO CCN(C(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1)[C@H](C)c1ccc(F)cc1 ZINC000609537806 520347519 /nfs/dbraw/zinc/34/75/19/520347519.db2.gz DUAGSZXAPGKJCI-YLJYHZDGSA-N 1 2 374.504 2.901 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000609538824 520349515 /nfs/dbraw/zinc/34/95/15/520349515.db2.gz YJFDDTJTDYJMPM-UWVAXJGDSA-N 1 2 354.498 2.518 20 30 FFEDLO N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000609622968 520383470 /nfs/dbraw/zinc/38/34/70/520383470.db2.gz AFCMWUKGLORFAF-UHFFFAOYSA-N 1 2 368.418 2.664 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000600830413 520491884 /nfs/dbraw/zinc/49/18/84/520491884.db2.gz TXKFCVIDSCGGFM-PXNSSMCTSA-N 1 2 370.472 2.597 20 30 FFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000595521493 520527198 /nfs/dbraw/zinc/52/71/98/520527198.db2.gz UPJIRNIZSTYHJO-UHFFFAOYSA-N 1 2 372.498 2.504 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC000604540578 520594470 /nfs/dbraw/zinc/59/44/70/520594470.db2.gz BLSPDXPRIXSPSG-JOCHJYFZSA-N 1 2 374.488 2.943 20 30 FFEDLO Cc1nnc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 ZINC000595705901 520663075 /nfs/dbraw/zinc/66/30/75/520663075.db2.gz ZQMRYNIBJTWSBN-UHFFFAOYSA-N 1 2 359.455 2.651 20 30 FFEDLO Cc1nnc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 ZINC000595705901 520663081 /nfs/dbraw/zinc/66/30/81/520663081.db2.gz ZQMRYNIBJTWSBN-UHFFFAOYSA-N 1 2 359.455 2.651 20 30 FFEDLO N#Cc1ccc(-c2cc(N3CC[NH+](Cc4cncs4)CC3)n[nH]2)cc1 ZINC000595735148 520682453 /nfs/dbraw/zinc/68/24/53/520682453.db2.gz TUXIDIMUEGLBBH-UHFFFAOYSA-N 1 2 350.451 2.727 20 30 FFEDLO CC(C)O[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000593056170 520713268 /nfs/dbraw/zinc/71/32/68/520713268.db2.gz ZYZCANIIYPAYGC-GOSISDBHSA-N 1 2 367.453 2.572 20 30 FFEDLO CC(C)O[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000593056170 520713281 /nfs/dbraw/zinc/71/32/81/520713281.db2.gz ZYZCANIIYPAYGC-GOSISDBHSA-N 1 2 367.453 2.572 20 30 FFEDLO Cc1cc(C[N@H+](Cc2ccccc2C#N)C2CC2)cc(S(N)(=O)=O)c1C ZINC000593062781 520716958 /nfs/dbraw/zinc/71/69/58/520716958.db2.gz HPZOXOTWABOIKS-UHFFFAOYSA-N 1 2 369.490 2.987 20 30 FFEDLO Cc1cc(C[N@@H+](Cc2ccccc2C#N)C2CC2)cc(S(N)(=O)=O)c1C ZINC000593062781 520716967 /nfs/dbraw/zinc/71/69/67/520716967.db2.gz HPZOXOTWABOIKS-UHFFFAOYSA-N 1 2 369.490 2.987 20 30 FFEDLO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000598590019 520730275 /nfs/dbraw/zinc/73/02/75/520730275.db2.gz NXABJNLRJVKCRI-CYBMUJFWSA-N 1 2 367.852 2.538 20 30 FFEDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2C[C@H](O)CC(C)(C)C#N)n1 ZINC000598608093 520740723 /nfs/dbraw/zinc/74/07/23/520740723.db2.gz FEEPUCAYENTRET-TZMCWYRMSA-N 1 2 351.472 2.757 20 30 FFEDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)n1 ZINC000598608093 520740733 /nfs/dbraw/zinc/74/07/33/520740733.db2.gz FEEPUCAYENTRET-TZMCWYRMSA-N 1 2 351.472 2.757 20 30 FFEDLO C[C@@H]1CCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000610729887 520818014 /nfs/dbraw/zinc/81/80/14/520818014.db2.gz NFOCCWXXQNTEOE-NSISKUIASA-N 1 2 363.465 2.833 20 30 FFEDLO CN1CCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c2ccc[nH+]c21 ZINC000593276882 520875067 /nfs/dbraw/zinc/87/50/67/520875067.db2.gz ZELDQKUSRMBZOA-UHFFFAOYSA-N 1 2 356.451 2.528 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(O)cc(C#N)c1)c1cccc(F)c1 ZINC000614294167 520894569 /nfs/dbraw/zinc/89/45/69/520894569.db2.gz VWUQYMFXFPFNLD-QGZVFWFLSA-N 1 2 350.353 2.656 20 30 FFEDLO N#Cc1cnc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(Cl)c1 ZINC000610899631 520898175 /nfs/dbraw/zinc/89/81/75/520898175.db2.gz NZVHGCBAOCOCTG-UHFFFAOYSA-N 1 2 356.813 2.691 20 30 FFEDLO Cc1ccc(C#N)nc1N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000596122662 520925912 /nfs/dbraw/zinc/92/59/12/520925912.db2.gz AIJSPDGKUVELEC-GOSISDBHSA-N 1 2 356.857 2.771 20 30 FFEDLO C[C@@H](Nc1nc(C#N)c(Cl)s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000596140098 520934714 /nfs/dbraw/zinc/93/47/14/520934714.db2.gz BNBNZEHWBDOERV-IUODEOHRSA-N 1 2 362.886 2.791 20 30 FFEDLO C[C@@H](Nc1nc(C#N)c(Cl)s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000596140098 520934719 /nfs/dbraw/zinc/93/47/19/520934719.db2.gz BNBNZEHWBDOERV-IUODEOHRSA-N 1 2 362.886 2.791 20 30 FFEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCSCc1ccccc1C#N)CC2 ZINC000598973554 520952694 /nfs/dbraw/zinc/95/26/94/520952694.db2.gz AVYDXKZWHHPIKV-HNNXBMFYSA-N 1 2 354.479 2.675 20 30 FFEDLO Cc1cc(N2CCO[C@H](C(C)C)C2)c(C#N)c(N2CCO[C@@H](C(C)C)C2)[nH+]1 ZINC000596187542 520959840 /nfs/dbraw/zinc/95/98/40/520959840.db2.gz QAJDROGZRASYPX-VQTJNVASSA-N 1 2 372.513 2.984 20 30 FFEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](C#N)c1ccc(Br)cc1)CC2 ZINC000599013759 520978619 /nfs/dbraw/zinc/97/86/19/520978619.db2.gz MNUMUJULJGGHBP-ZFWWWQNUSA-N 1 2 373.254 2.898 20 30 FFEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C#N)c1ccc(Br)cc1)CC2 ZINC000599013757 520978775 /nfs/dbraw/zinc/97/87/75/520978775.db2.gz MNUMUJULJGGHBP-UKRRQHHQSA-N 1 2 373.254 2.898 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000601967958 521047346 /nfs/dbraw/zinc/04/73/46/521047346.db2.gz KBSXYZDQFKOWBF-ZDUSSCGKSA-N 1 2 372.475 2.571 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@H](C(F)F)CC2)c1C ZINC000601972933 521048080 /nfs/dbraw/zinc/04/80/80/521048080.db2.gz APCWGRZUMYEURE-QGZVFWFLSA-N 1 2 365.424 2.906 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@H](C(F)F)CC2)c1C ZINC000601972933 521048089 /nfs/dbraw/zinc/04/80/89/521048089.db2.gz APCWGRZUMYEURE-QGZVFWFLSA-N 1 2 365.424 2.906 20 30 FFEDLO CCOc1cccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 ZINC000611260148 521064332 /nfs/dbraw/zinc/06/43/32/521064332.db2.gz KHOKNSHYLKQLMF-UHFFFAOYSA-N 1 2 353.426 2.540 20 30 FFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)CCOCC1 ZINC000599284037 521126984 /nfs/dbraw/zinc/12/69/84/521126984.db2.gz KYZWFNLSZOJYNR-YJBOKZPZSA-N 1 2 364.873 2.785 20 30 FFEDLO N#CC1(C[C@H](O)C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)CCOCC1 ZINC000599284037 521126990 /nfs/dbraw/zinc/12/69/90/521126990.db2.gz KYZWFNLSZOJYNR-YJBOKZPZSA-N 1 2 364.873 2.785 20 30 FFEDLO C[C@@H]([NH2+][C@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1cccc(C#N)c1 ZINC000611386625 521130184 /nfs/dbraw/zinc/13/01/84/521130184.db2.gz QABZWUOQKPTZDH-ZIAGYGMSSA-N 1 2 359.437 2.733 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)c1C#N ZINC000596598737 521157295 /nfs/dbraw/zinc/15/72/95/521157295.db2.gz OLCXXWACHOCYSG-UHFFFAOYSA-N 1 2 352.438 2.663 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2Cc3cnn(C)c3CC(C)(C)C2)c1C#N ZINC000596598737 521157301 /nfs/dbraw/zinc/15/73/01/521157301.db2.gz OLCXXWACHOCYSG-UHFFFAOYSA-N 1 2 352.438 2.663 20 30 FFEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC(Oc3ccc(C#N)cc3)CC1)CC2 ZINC000599332233 521158909 /nfs/dbraw/zinc/15/89/09/521158909.db2.gz ONPJDRNGETWRHX-QGZVFWFLSA-N 1 2 364.449 2.696 20 30 FFEDLO N#C[C@@]1(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CCc2ccccc2C1 ZINC000602141982 521169863 /nfs/dbraw/zinc/16/98/63/521169863.db2.gz RZOBPMHJJVIVAC-NVXWUHKLSA-N 1 2 362.355 2.944 20 30 FFEDLO N#CC1(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CCOCC1 ZINC000596629492 521176662 /nfs/dbraw/zinc/17/66/62/521176662.db2.gz HXIPEULLUFFDPF-QPJJXVBHSA-N 1 2 353.466 2.554 20 30 FFEDLO N#Cc1ccccc1NC1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000602182254 521194583 /nfs/dbraw/zinc/19/45/83/521194583.db2.gz XGGYPOFXVKUKGN-UHFFFAOYSA-N 1 2 363.465 2.737 20 30 FFEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000611551543 521215325 /nfs/dbraw/zinc/21/53/25/521215325.db2.gz RDVDYFIBUCMSJN-FUHIMQAGSA-N 1 2 372.488 2.512 20 30 FFEDLO N#CC1(CC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CCCCC1 ZINC000596691148 521222872 /nfs/dbraw/zinc/22/28/72/521222872.db2.gz JGJDVOOPKTUALI-UHFFFAOYSA-N 1 2 365.481 2.843 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)n1 ZINC000602471220 521362986 /nfs/dbraw/zinc/36/29/86/521362986.db2.gz KNEYYFIFFYVYHD-LJQANCHMSA-N 1 2 362.433 2.881 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)n1 ZINC000602471220 521362991 /nfs/dbraw/zinc/36/29/91/521362991.db2.gz KNEYYFIFFYVYHD-LJQANCHMSA-N 1 2 362.433 2.881 20 30 FFEDLO C=CCC1(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000619108441 521403321 /nfs/dbraw/zinc/40/33/21/521403321.db2.gz WGSYRCNJUJFFGB-UHFFFAOYSA-N 1 2 370.497 2.516 20 30 FFEDLO C=CCC[N@@H+](C)CC(=O)Nc1sc(C(C)=O)c(C)c1C(=O)OCC ZINC000615636175 521485788 /nfs/dbraw/zinc/48/57/88/521485788.db2.gz WGAOBHLSVPYQHP-UHFFFAOYSA-N 1 2 352.456 2.882 20 30 FFEDLO C=CCC[N@H+](C)CC(=O)Nc1sc(C(C)=O)c(C)c1C(=O)OCC ZINC000615636175 521485796 /nfs/dbraw/zinc/48/57/96/521485796.db2.gz WGAOBHLSVPYQHP-UHFFFAOYSA-N 1 2 352.456 2.882 20 30 FFEDLO CS(=O)(=O)N1CC[N@H+](Cc2ccc(CC#N)cc2)Cc2ccccc21 ZINC000612112055 521488008 /nfs/dbraw/zinc/48/80/08/521488008.db2.gz SSXMVPXAKOYBFJ-UHFFFAOYSA-N 1 2 355.463 2.534 20 30 FFEDLO CS(=O)(=O)N1CC[N@@H+](Cc2ccc(CC#N)cc2)Cc2ccccc21 ZINC000612112055 521488012 /nfs/dbraw/zinc/48/80/12/521488012.db2.gz SSXMVPXAKOYBFJ-UHFFFAOYSA-N 1 2 355.463 2.534 20 30 FFEDLO CCn1ncc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C1CC1 ZINC000602758074 521517609 /nfs/dbraw/zinc/51/76/09/521517609.db2.gz JCLVNKYOBSWMHC-UHFFFAOYSA-N 1 2 363.465 2.610 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](CC(=O)NCc1ccc(C#N)cc1F)C(F)(F)F ZINC000594283342 521534610 /nfs/dbraw/zinc/53/46/10/521534610.db2.gz FYIGNCSQPCKVCB-GFCCVEGCSA-N 1 2 354.307 2.783 20 30 FFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000594308404 521549045 /nfs/dbraw/zinc/54/90/45/521549045.db2.gz URIGHMORCGWPIJ-QGZVFWFLSA-N 1 2 363.461 2.787 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](CC(=O)NCCc1cccc(C#N)c1)C(F)(F)F ZINC000594356484 521573628 /nfs/dbraw/zinc/57/36/28/521573628.db2.gz JFPUFMFQWLDVCX-CQSZACIVSA-N 1 2 350.344 2.687 20 30 FFEDLO CCOc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000597231686 521587373 /nfs/dbraw/zinc/58/73/73/521587373.db2.gz ZYGCBOIIRVZBLX-YWZLYKJASA-N 1 2 359.470 2.676 20 30 FFEDLO CCOc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000597231686 521587378 /nfs/dbraw/zinc/58/73/78/521587378.db2.gz ZYGCBOIIRVZBLX-YWZLYKJASA-N 1 2 359.470 2.676 20 30 FFEDLO C[C@]1(C(F)F)C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000597250311 521595912 /nfs/dbraw/zinc/59/59/12/521595912.db2.gz BLYUBDXNGXLIRH-GOSISDBHSA-N 1 2 361.396 2.715 20 30 FFEDLO C[C@]1(C(F)F)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000597250311 521595913 /nfs/dbraw/zinc/59/59/13/521595913.db2.gz BLYUBDXNGXLIRH-GOSISDBHSA-N 1 2 361.396 2.715 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000616135073 521628511 /nfs/dbraw/zinc/62/85/11/521628511.db2.gz JQOVXAMPXBLVTN-QINHECLXSA-N 1 2 360.477 2.779 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000616135073 521628515 /nfs/dbraw/zinc/62/85/15/521628515.db2.gz JQOVXAMPXBLVTN-QINHECLXSA-N 1 2 360.477 2.779 20 30 FFEDLO COc1cc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)ccc1C#N ZINC000619654679 521813803 /nfs/dbraw/zinc/81/38/03/521813803.db2.gz NBSLWFMKILGFHW-INIZCTEOSA-N 1 2 374.238 2.646 20 30 FFEDLO N#Cc1ccc(CNC(=O)NCCc2cn3ccccc3[nH+]2)cc1Cl ZINC000619754225 521856627 /nfs/dbraw/zinc/85/66/27/521856627.db2.gz BXMLDHJREXDLKO-UHFFFAOYSA-N 1 2 353.813 2.901 20 30 FFEDLO C=CC[C@@H]1CCN(C(=O)NC[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)C1 ZINC000623420753 522009873 /nfs/dbraw/zinc/00/98/73/522009873.db2.gz NXIFQJPQZHDADJ-QUCCMNQESA-N 1 2 357.498 2.976 20 30 FFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000624326046 522609186 /nfs/dbraw/zinc/60/91/86/522609186.db2.gz FMYSFIAYOMXHAH-VAMGGRTRSA-N 1 2 372.513 2.717 20 30 FFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000624326046 522609198 /nfs/dbraw/zinc/60/91/98/522609198.db2.gz FMYSFIAYOMXHAH-VAMGGRTRSA-N 1 2 372.513 2.717 20 30 FFEDLO C=CC(C)(C)CCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000624459538 522700812 /nfs/dbraw/zinc/70/08/12/522700812.db2.gz GTWUIACCVGEXPE-MOPGFXCFSA-N 1 2 357.498 2.884 20 30 FFEDLO C=CC(C)(C)CCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000624459538 522700824 /nfs/dbraw/zinc/70/08/24/522700824.db2.gz GTWUIACCVGEXPE-MOPGFXCFSA-N 1 2 357.498 2.884 20 30 FFEDLO C=CC(C)(C)CCNC(=O)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000625485864 523475310 /nfs/dbraw/zinc/47/53/10/523475310.db2.gz AFNUBDAIAFAAHV-UHFFFAOYSA-N 1 2 368.481 2.608 20 30 FFEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1CC#Cc1ccccc1Cl ZINC000625496156 523477739 /nfs/dbraw/zinc/47/77/39/523477739.db2.gz OBPABLIILNGYEZ-IBGZPJMESA-N 1 2 351.841 2.796 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)cc1OC ZINC000628315410 523478217 /nfs/dbraw/zinc/47/82/17/523478217.db2.gz KINSPRROCZXMOW-CQSZACIVSA-N 1 2 355.862 2.885 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@H](CO)OC(C)(C)C2)cc1OC ZINC000628315410 523478229 /nfs/dbraw/zinc/47/82/29/523478229.db2.gz KINSPRROCZXMOW-CQSZACIVSA-N 1 2 355.862 2.885 20 30 FFEDLO Cn1cc(C#N)c(=NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)[nH]1 ZINC000615979542 555261167 /nfs/dbraw/zinc/26/11/67/555261167.db2.gz CWFPIAXVOQSSJR-HUUCEWRRSA-N 1 2 358.833 2.512 20 30 FFEDLO Cn1cc(C#N)c(=NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)[nH]1 ZINC000615979542 555261169 /nfs/dbraw/zinc/26/11/69/555261169.db2.gz CWFPIAXVOQSSJR-HUUCEWRRSA-N 1 2 358.833 2.512 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(c3nc(N)ns3)CC2)cc1Cl ZINC000535798481 562568315 /nfs/dbraw/zinc/56/83/15/562568315.db2.gz JPFBKPYIBMYSMU-UHFFFAOYSA-N 1 2 365.890 2.661 20 30 FFEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cn1cc(C)cnc1=S ZINC000823914164 607970358 /nfs/dbraw/zinc/97/03/58/607970358.db2.gz BZMXSBLIQOBPLK-UHFFFAOYSA-N 1 2 353.455 2.747 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cn1cc(C)cnc1=S ZINC000823914164 607970359 /nfs/dbraw/zinc/97/03/59/607970359.db2.gz BZMXSBLIQOBPLK-UHFFFAOYSA-N 1 2 353.455 2.747 20 30 FFEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cncs1 ZINC000898221994 735329331 /nfs/dbraw/zinc/32/93/31/735329331.db2.gz AOUVXURGJSYMKM-AWEZNQCLSA-N 1 2 355.467 2.603 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745078224 735396077 /nfs/dbraw/zinc/39/60/77/735396077.db2.gz BTEGXEWVWYKDJC-ZBFHGGJFSA-N 1 2 350.484 2.679 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745078224 735396081 /nfs/dbraw/zinc/39/60/81/735396081.db2.gz BTEGXEWVWYKDJC-ZBFHGGJFSA-N 1 2 350.484 2.679 20 30 FFEDLO C=CCn1c(C)nn(C[N@@H+]2C[C@H](C(=O)NCCCC)CC[C@H]2C)c1=S ZINC000068964498 728194482 /nfs/dbraw/zinc/19/44/82/728194482.db2.gz XSRDESDODVJEFP-GDBMZVCRSA-N 1 2 365.547 2.883 20 30 FFEDLO C=CCn1c(C)nn(C[N@H+]2C[C@H](C(=O)NCCCC)CC[C@H]2C)c1=S ZINC000068964498 728194485 /nfs/dbraw/zinc/19/44/85/728194485.db2.gz XSRDESDODVJEFP-GDBMZVCRSA-N 1 2 365.547 2.883 20 30 FFEDLO N#Cc1ccc(CNC(=O)CO[NH+]=C(N)Cc2ccccc2Cl)cc1 ZINC000746694493 735506280 /nfs/dbraw/zinc/50/62/80/735506280.db2.gz HGMGPUFAFLLBGL-UHFFFAOYSA-N 1 2 356.813 2.569 20 30 FFEDLO C=CCc1cc(C[NH+]2CCN(C3=NC[C@@H](C)S3)CC2)cc(OC)c1O ZINC000093662982 728477124 /nfs/dbraw/zinc/47/71/24/728477124.db2.gz FWTBPORFOSXMLK-CQSZACIVSA-N 1 2 361.511 2.738 20 30 FFEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](C)C[C@@H]2CCCOC2)c1=S ZINC000107672174 728517159 /nfs/dbraw/zinc/51/71/59/728517159.db2.gz LZXQGKOIKLGNPY-HNNXBMFYSA-N 1 2 359.499 2.978 20 30 FFEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](C)C[C@@H]2CCCOC2)c1=S ZINC000107672174 728517160 /nfs/dbraw/zinc/51/71/60/728517160.db2.gz LZXQGKOIKLGNPY-HNNXBMFYSA-N 1 2 359.499 2.978 20 30 FFEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccc(Cl)s3)oc2=S)CC1 ZINC000172893811 729033770 /nfs/dbraw/zinc/03/37/70/729033770.db2.gz HGVHWMDOLKRFSO-UHFFFAOYSA-N 1 2 354.888 2.796 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)cc(Br)c2F)CC1 ZINC000859003109 730439225 /nfs/dbraw/zinc/43/92/25/730439225.db2.gz FSRZBXNLXGUQAT-UHFFFAOYSA-N 1 2 353.235 2.678 20 30 FFEDLO C=C(Cl)C[C@H]1NC(=O)N([C@H](Cc2[nH+]ccn2C)c2ccccc2)C1=O ZINC000865302395 730937819 /nfs/dbraw/zinc/93/78/19/730937819.db2.gz VONFUUWVRYNBFX-HUUCEWRRSA-N 1 2 358.829 2.767 20 30 FFEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000866001819 731020389 /nfs/dbraw/zinc/02/03/89/731020389.db2.gz IFWUHSMJNPHGCR-TZMCWYRMSA-N 1 2 370.881 2.671 20 30 FFEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2coc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000867115857 731145276 /nfs/dbraw/zinc/14/52/76/731145276.db2.gz TXXKXLQTDZSRIC-DLBZAZTESA-N 1 2 359.813 2.606 20 30 FFEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2coc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000867115857 731145277 /nfs/dbraw/zinc/14/52/77/731145277.db2.gz TXXKXLQTDZSRIC-DLBZAZTESA-N 1 2 359.813 2.606 20 30 FFEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(C#N)ccc1C ZINC000867680404 731212659 /nfs/dbraw/zinc/21/26/59/731212659.db2.gz LAQVQGUGUMPBMX-UHFFFAOYSA-N 1 2 359.451 2.884 20 30 FFEDLO C[C@H](SCc1ccc(C#N)o1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000871709199 731669946 /nfs/dbraw/zinc/66/99/46/731669946.db2.gz ZRSPQBPIYJIRFV-AWEZNQCLSA-N 1 2 356.451 2.517 20 30 FFEDLO Cc1cc(NN=Cc2c(F)ccc(C3OCCO3)c2Cl)nc(N)[nH+]1 ZINC000872420671 731764495 /nfs/dbraw/zinc/76/44/95/731764495.db2.gz LBRKRLJFTXOKQE-UHFFFAOYSA-N 1 2 351.769 2.651 20 30 FFEDLO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cscn1 ZINC000661416123 732201440 /nfs/dbraw/zinc/20/14/40/732201440.db2.gz DFNGQTATYGPNST-LBPRGKRZSA-N 1 2 367.396 2.980 20 30 FFEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c1 ZINC000877515068 732378195 /nfs/dbraw/zinc/37/81/95/732378195.db2.gz TULAQMSFJLRCIV-NSHDSACASA-N 1 2 374.794 2.887 20 30 FFEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c1 ZINC000877515068 732378196 /nfs/dbraw/zinc/37/81/96/732378196.db2.gz TULAQMSFJLRCIV-NSHDSACASA-N 1 2 374.794 2.887 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879623510 732735784 /nfs/dbraw/zinc/73/57/84/732735784.db2.gz ZJFGMYMOBOPVIM-GJZGRUSLSA-N 1 2 361.511 2.970 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879623510 732735788 /nfs/dbraw/zinc/73/57/88/732735788.db2.gz ZJFGMYMOBOPVIM-GJZGRUSLSA-N 1 2 361.511 2.970 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000884124023 733483221 /nfs/dbraw/zinc/48/32/21/733483221.db2.gz LIFXZJYUNVNDOB-BBRMVZONSA-N 1 2 350.484 2.811 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000884421919 733522940 /nfs/dbraw/zinc/52/29/40/733522940.db2.gz HJSPZWHECHCUGG-JTQLQIEISA-N 1 2 366.723 2.624 20 30 FFEDLO COCCOc1ccccc1N1CC[NH+](Cc2csc(C#N)c2)CC1 ZINC000892141890 734520791 /nfs/dbraw/zinc/52/07/91/734520791.db2.gz AOUCUBOYUFMERA-UHFFFAOYSA-N 1 2 357.479 2.967 20 30 FFEDLO C#CC[C@H]([NH2+]Cc1c(I)cnn1C)c1ccccc1 ZINC000894362333 734845909 /nfs/dbraw/zinc/84/59/09/734845909.db2.gz SVWIAXQWHWBVON-AWEZNQCLSA-N 1 2 365.218 2.879 20 30 FFEDLO N#CCOc1ccc(Cl)cc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000735305690 734939517 /nfs/dbraw/zinc/93/95/17/734939517.db2.gz CELMUFDIUYWPPQ-UHFFFAOYSA-N 1 2 356.857 2.955 20 30 FFEDLO N#CCC(=O)N1CC[NH+](Cc2cc3cc(Br)ccc3o2)CC1 ZINC000895065882 734959183 /nfs/dbraw/zinc/95/91/83/734959183.db2.gz FWGJWNZBDCXWNT-UHFFFAOYSA-N 1 2 362.227 2.753 20 30 FFEDLO N#Cc1cnc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c(Br)c1 ZINC000895564560 735024271 /nfs/dbraw/zinc/02/42/71/735024271.db2.gz KYNLUWSDQMJFAM-OLZOCXBDSA-N 1 2 353.289 2.707 20 30 FFEDLO N#Cc1cnc(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c(Br)c1 ZINC000895564560 735024272 /nfs/dbraw/zinc/02/42/72/735024272.db2.gz KYNLUWSDQMJFAM-OLZOCXBDSA-N 1 2 353.289 2.707 20 30 FFEDLO N#Cc1ccc(-c2cccc(CNC(=O)NCCn3cc[nH+]c3)c2)s1 ZINC000740464169 735075692 /nfs/dbraw/zinc/07/56/92/735075692.db2.gz BICJBEIKJIERIV-UHFFFAOYSA-N 1 2 351.435 2.983 20 30 FFEDLO N#Cc1cc2ccccc2nc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000747329788 735556920 /nfs/dbraw/zinc/55/69/20/735556920.db2.gz XDHBUMRYLKPTPY-LJQANCHMSA-N 1 2 354.479 2.726 20 30 FFEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccc(NS(C)(=O)=O)cc3)n21 ZINC000748999355 735687799 /nfs/dbraw/zinc/68/77/99/735687799.db2.gz WAOXBRRLTPEWLH-ZHACJKMWSA-N 1 2 355.419 2.910 20 30 FFEDLO C#CCN(C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C1CSC1 ZINC000903165640 736045999 /nfs/dbraw/zinc/04/59/99/736045999.db2.gz MVOWYCDOPDFMNW-HNNXBMFYSA-N 1 2 359.495 2.662 20 30 FFEDLO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1cccc(C#N)c1O ZINC000903481300 736100263 /nfs/dbraw/zinc/10/02/63/736100263.db2.gz YTAAZSIWUBQSQM-PWSUYJOCSA-N 1 2 361.243 2.888 20 30 FFEDLO C#C[C@H](C)[N@H+](C)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000769975934 737587737 /nfs/dbraw/zinc/58/77/37/737587737.db2.gz PBKPRYYUDGIARX-PXNSSMCTSA-N 1 2 356.491 2.968 20 30 FFEDLO C#C[C@H](C)[N@@H+](C)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000769975934 737587738 /nfs/dbraw/zinc/58/77/38/737587738.db2.gz PBKPRYYUDGIARX-PXNSSMCTSA-N 1 2 356.491 2.968 20 30 FFEDLO Fc1ccccc1NC(=S)N[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000915921025 737665140 /nfs/dbraw/zinc/66/51/40/737665140.db2.gz LEDZWNUAGNQBLB-UHFFFAOYSA-N 1 2 358.442 2.983 20 30 FFEDLO Brc1cn2ccnc2c(N=NCc2cccc3[nH+]ccn32)n1 ZINC000771096356 737696202 /nfs/dbraw/zinc/69/62/02/737696202.db2.gz CTZOSJWEVYUCSN-UHFFFAOYSA-N 1 2 356.187 2.586 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920627177 737917782 /nfs/dbraw/zinc/91/77/82/737917782.db2.gz WIYSODIDEPWONS-UHFFFAOYSA-N 1 2 356.451 2.527 20 30 FFEDLO CN(CCO)c1ccc(NCc2cc(C#N)ccc2Br)[nH+]c1 ZINC000921859718 738058618 /nfs/dbraw/zinc/05/86/18/738058618.db2.gz ZUTTUGWQQXIBJX-UHFFFAOYSA-N 1 2 361.243 2.756 20 30 FFEDLO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000778426167 738382007 /nfs/dbraw/zinc/38/20/07/738382007.db2.gz CWTRERBTGSNCAB-LPMFXHHGSA-N 1 2 357.479 2.955 20 30 FFEDLO C[C@@H]1CC[C@](CO)([N@@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000778426167 738382009 /nfs/dbraw/zinc/38/20/09/738382009.db2.gz CWTRERBTGSNCAB-LPMFXHHGSA-N 1 2 357.479 2.955 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCO[C@@](C)(C#N)C3)n2)C1 ZINC000929331383 738971094 /nfs/dbraw/zinc/97/10/94/738971094.db2.gz HGKYCZYPRDEPPY-DYVFJYSZSA-N 1 2 363.487 2.521 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCO[C@@](C)(C#N)C3)n2)C1 ZINC000929331383 738971099 /nfs/dbraw/zinc/97/10/99/738971099.db2.gz HGKYCZYPRDEPPY-DYVFJYSZSA-N 1 2 363.487 2.521 20 30 FFEDLO FC(F)(F)CN[NH+]=Cc1ccc(Br)cc1N1CCOCC1 ZINC000788723153 739276847 /nfs/dbraw/zinc/27/68/47/739276847.db2.gz OEZOFBLVDKKERO-UHFFFAOYSA-N 1 2 366.181 2.772 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCc2ccc(Br)c(F)c2C1 ZINC000932010924 739371743 /nfs/dbraw/zinc/37/17/43/739371743.db2.gz HZWHFNWDOPOZSG-UHFFFAOYSA-N 1 2 368.250 2.708 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@H+]1CCc2ccc(Br)c(F)c2C1 ZINC000932010924 739371749 /nfs/dbraw/zinc/37/17/49/739371749.db2.gz HZWHFNWDOPOZSG-UHFFFAOYSA-N 1 2 368.250 2.708 20 30 FFEDLO N#CC[C@H](NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C(F)(F)F ZINC000932889783 739532169 /nfs/dbraw/zinc/53/21/69/739532169.db2.gz VVYRGEAABMGSEK-KGLIPLIRSA-N 1 2 351.332 2.768 20 30 FFEDLO CCN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944467 739541630 /nfs/dbraw/zinc/54/16/30/739541630.db2.gz VOXVZJVFVHMSHW-OCAPTIKFSA-N 1 2 368.268 2.568 20 30 FFEDLO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944467 739541633 /nfs/dbraw/zinc/54/16/33/739541633.db2.gz VOXVZJVFVHMSHW-OCAPTIKFSA-N 1 2 368.268 2.568 20 30 FFEDLO C#CCC1([NH2+]Cc2nnc(C(=O)Nc3ccc(OC)cc3)s2)CCC1 ZINC000933298500 739600726 /nfs/dbraw/zinc/60/07/26/739600726.db2.gz AYCJBNVGHGIICP-UHFFFAOYSA-N 1 2 356.451 2.835 20 30 FFEDLO Cc1nc(C#N)c(N[NH2+]C=C2CC(F)(F)CN2C(=O)OC(C)(C)C)o1 ZINC000792987450 739727238 /nfs/dbraw/zinc/72/72/38/739727238.db2.gz RMEDQIDGELMTER-SNVBAGLBSA-N 1 2 355.345 2.897 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000795050779 739955377 /nfs/dbraw/zinc/95/53/77/739955377.db2.gz NWQYRFCWNFKQHO-SFHVURJKSA-N 1 2 360.820 2.601 20 30 FFEDLO C#CC[N@@H+](C[C@H](C)c1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000800355923 740515992 /nfs/dbraw/zinc/51/59/92/740515992.db2.gz PDAOOQNCYICIPQ-XJKSGUPXSA-N 1 2 359.413 2.931 20 30 FFEDLO C#CC[N@H+](C[C@H](C)c1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000800355923 740515994 /nfs/dbraw/zinc/51/59/94/740515994.db2.gz PDAOOQNCYICIPQ-XJKSGUPXSA-N 1 2 359.413 2.931 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC=C)CC1 ZINC000800773338 740547890 /nfs/dbraw/zinc/54/78/90/740547890.db2.gz HPCFHWBGNSPIRX-UHFFFAOYSA-N 1 2 359.836 2.679 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccncc2Cl)C1 ZINC000969684171 740736776 /nfs/dbraw/zinc/73/67/76/740736776.db2.gz IHHNCUJESWXFCN-QBIMZIAESA-N 1 2 363.889 2.653 20 30 FFEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC000971558720 740787181 /nfs/dbraw/zinc/78/71/81/740787181.db2.gz GLZBHURPXGKWFP-HRCADAONSA-N 1 2 364.287 2.626 20 30 FFEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC000971558720 740787182 /nfs/dbraw/zinc/78/71/82/740787182.db2.gz GLZBHURPXGKWFP-HRCADAONSA-N 1 2 364.287 2.626 20 30 FFEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC000972508023 740832507 /nfs/dbraw/zinc/83/25/07/740832507.db2.gz KAZCIJCDAZMOAN-JYJNAYRXSA-N 1 2 371.319 2.799 20 30 FFEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC000972508023 740832510 /nfs/dbraw/zinc/83/25/10/740832510.db2.gz KAZCIJCDAZMOAN-JYJNAYRXSA-N 1 2 371.319 2.799 20 30 FFEDLO Cc1nsc(NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1C#N ZINC000804355619 740863480 /nfs/dbraw/zinc/86/34/80/740863480.db2.gz DIDCFTQFEQDRHK-UHFFFAOYSA-N 1 2 365.503 2.678 20 30 FFEDLO C=CCCCCCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000804977382 740922025 /nfs/dbraw/zinc/92/20/25/740922025.db2.gz PWACDZTZDXEWDZ-GOSISDBHSA-N 1 2 355.548 2.630 20 30 FFEDLO CC(=O)Oc1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1 ZINC000810063379 741379631 /nfs/dbraw/zinc/37/96/31/741379631.db2.gz UULSJQQEVYUASX-UHFFFAOYSA-N 1 2 356.451 2.571 20 30 FFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000810086909 741384250 /nfs/dbraw/zinc/38/42/50/741384250.db2.gz UTMDUVZCPOCNSQ-HZPDHXFCSA-N 1 2 352.475 2.683 20 30 FFEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000810144977 741392482 /nfs/dbraw/zinc/39/24/82/741392482.db2.gz NWYVPOTZCQFAAR-GFCCVEGCSA-N 1 2 360.458 2.966 20 30 FFEDLO C#C[C@H](CCC)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000812184897 741593647 /nfs/dbraw/zinc/59/36/47/741593647.db2.gz SIKQQWZQNFYIFV-FGTMMUONSA-N 1 2 363.889 2.813 20 30 FFEDLO C#C[C@H](CCC)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000812184897 741593651 /nfs/dbraw/zinc/59/36/51/741593651.db2.gz SIKQQWZQNFYIFV-FGTMMUONSA-N 1 2 363.889 2.813 20 30 FFEDLO CC(=[NH+]Nc1ccc(S(=O)(=O)N(C)C)cc1)c1cc(F)c(N)c(F)c1 ZINC000814935949 741875597 /nfs/dbraw/zinc/87/55/97/741875597.db2.gz ZPVKVIRXZHNTAB-UHFFFAOYSA-N 1 2 368.409 2.633 20 30 FFEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@H]2CCO[C@H]2C(=C)C)CC1 ZINC001001254988 742113297 /nfs/dbraw/zinc/11/32/97/742113297.db2.gz UHZYFANUDVKHMT-HOTGVXAUSA-N 1 2 369.303 2.625 20 30 FFEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCO[C@H]2C(=C)C)CC1 ZINC001001254988 742113300 /nfs/dbraw/zinc/11/33/00/742113300.db2.gz UHZYFANUDVKHMT-HOTGVXAUSA-N 1 2 369.303 2.625 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001014454702 742467093 /nfs/dbraw/zinc/46/70/93/742467093.db2.gz AABLJKHHGWVDLE-LBTNJELSSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001014454702 742467094 /nfs/dbraw/zinc/46/70/94/742467094.db2.gz AABLJKHHGWVDLE-LBTNJELSSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC001015721179 742478409 /nfs/dbraw/zinc/47/84/09/742478409.db2.gz DDZXVBZCHNPERS-UXLLHSPISA-N 1 2 352.837 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001015721179 742478413 /nfs/dbraw/zinc/47/84/13/742478413.db2.gz DDZXVBZCHNPERS-UXLLHSPISA-N 1 2 352.837 2.761 20 30 FFEDLO C#C[C@@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000820755713 742545554 /nfs/dbraw/zinc/54/55/54/742545554.db2.gz OEWUUFCHNHCHAS-MRXNPFEDSA-N 1 2 367.852 2.563 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1csc(CC)n1 ZINC001028195922 742789968 /nfs/dbraw/zinc/78/99/68/742789968.db2.gz YYUUNKAZIRSYKY-BQFCYCMXSA-N 1 2 363.527 2.767 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1csc(CC)n1 ZINC001028195922 742789969 /nfs/dbraw/zinc/78/99/69/742789969.db2.gz YYUUNKAZIRSYKY-BQFCYCMXSA-N 1 2 363.527 2.767 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2nc(C)sc2C)C1 ZINC001032040400 742857355 /nfs/dbraw/zinc/85/73/55/742857355.db2.gz AUPRBERIWKZSJI-WMZOPIPTSA-N 1 2 363.527 2.679 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001033086258 742869754 /nfs/dbraw/zinc/86/97/54/742869754.db2.gz FMMISLNQYKWHQM-NUJGCVRESA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001033086258 742869765 /nfs/dbraw/zinc/86/97/65/742869765.db2.gz FMMISLNQYKWHQM-NUJGCVRESA-N 1 2 363.889 2.749 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)O1 ZINC001033439144 742889974 /nfs/dbraw/zinc/88/99/74/742889974.db2.gz YXPYSBIQDNNCMB-HHXXYDBFSA-N 1 2 360.885 2.792 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)O1 ZINC001033439144 742889983 /nfs/dbraw/zinc/88/99/83/742889983.db2.gz YXPYSBIQDNNCMB-HHXXYDBFSA-N 1 2 360.885 2.792 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC001033496156 742895625 /nfs/dbraw/zinc/89/56/25/742895625.db2.gz HGRNGDSGJVKIPT-JYJNAYRXSA-N 1 2 371.319 2.799 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC001033496156 742895636 /nfs/dbraw/zinc/89/56/36/742895636.db2.gz HGRNGDSGJVKIPT-JYJNAYRXSA-N 1 2 371.319 2.799 20 30 FFEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001034255931 742916782 /nfs/dbraw/zinc/91/67/82/742916782.db2.gz GVFLMCCZBUIMJX-KFWWJZLASA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001034255931 742916788 /nfs/dbraw/zinc/91/67/88/742916788.db2.gz GVFLMCCZBUIMJX-KFWWJZLASA-N 1 2 359.308 2.681 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001046631245 743332185 /nfs/dbraw/zinc/33/21/85/743332185.db2.gz CKQBTYOWNBWABB-XVGQJIODSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001046631245 743332196 /nfs/dbraw/zinc/33/21/96/743332196.db2.gz CKQBTYOWNBWABB-XVGQJIODSA-N 1 2 350.409 2.637 20 30 FFEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)CCO2 ZINC001053308296 744972210 /nfs/dbraw/zinc/97/22/10/744972210.db2.gz IBJICCSWQXHYFW-CABCVRRESA-N 1 2 360.420 2.844 20 30 FFEDLO C[C@@H](CC#N)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000832824151 745762055 /nfs/dbraw/zinc/76/20/55/745762055.db2.gz SYVOFLJVPAVVBB-LBPRGKRZSA-N 1 2 365.275 2.689 20 30 FFEDLO C#C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000833230323 745779518 /nfs/dbraw/zinc/77/95/18/745779518.db2.gz BTUUCIZKTKCORD-DZGCQCFKSA-N 1 2 358.239 2.699 20 30 FFEDLO CC(C)OC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)c(Cl)c1 ZINC000844955325 748145200 /nfs/dbraw/zinc/14/52/00/748145200.db2.gz ZPGYIFYJAIPAPG-AWEZNQCLSA-N 1 2 369.849 2.882 20 30 FFEDLO CC(C)OC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c(Cl)c1 ZINC000844955325 748145203 /nfs/dbraw/zinc/14/52/03/748145203.db2.gz ZPGYIFYJAIPAPG-AWEZNQCLSA-N 1 2 369.849 2.882 20 30 FFEDLO N#Cc1ccc([C@@H](O)C[NH+]2CC(O)(c3ccc(Br)cc3)C2)cc1 ZINC000852727801 749934898 /nfs/dbraw/zinc/93/48/98/749934898.db2.gz QRDOTXNISAAHPW-KRWDZBQOSA-N 1 2 373.250 2.558 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(NS(C)(=O)=O)c1 ZINC000853126343 750013277 /nfs/dbraw/zinc/01/32/77/750013277.db2.gz FRLDVFCKBSRNPB-UHFFFAOYSA-N 1 2 359.451 2.857 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000853651434 750126769 /nfs/dbraw/zinc/12/67/69/750126769.db2.gz WZJTYPKCIWVJQR-HNNXBMFYSA-N 1 2 356.447 2.857 20 30 FFEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCCCn1cc[nH+]c1 ZINC000047597398 845144835 /nfs/dbraw/zinc/14/48/35/845144835.db2.gz MDCWPXNDVRPFGE-UHFFFAOYSA-N 1 2 350.344 2.643 20 30 FFEDLO COc1c(O)ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c1[N+](=O)[O-] ZINC000895667242 970835193 /nfs/dbraw/zinc/83/51/93/970835193.db2.gz DMSKGRFWCCRBPW-UHFFFAOYSA-N 1 2 353.378 2.933 20 30 FFEDLO COc1c(O)ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)c1[N+](=O)[O-] ZINC000895667242 970835204 /nfs/dbraw/zinc/83/52/04/970835204.db2.gz DMSKGRFWCCRBPW-UHFFFAOYSA-N 1 2 353.378 2.933 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C)s3)CC[C@@H]2C1 ZINC001087978556 971440369 /nfs/dbraw/zinc/44/03/69/971440369.db2.gz HPZPLDXRHJYRQE-KGLIPLIRSA-N 1 2 368.934 2.906 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C)s3)CC[C@@H]2C1 ZINC001087978556 971440377 /nfs/dbraw/zinc/44/03/77/971440377.db2.gz HPZPLDXRHJYRQE-KGLIPLIRSA-N 1 2 368.934 2.906 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)C(C)C ZINC001105280439 971737782 /nfs/dbraw/zinc/73/77/82/971737782.db2.gz VHNIMHWKKADEIK-ZACQAIPSSA-N 1 2 358.486 2.806 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1cnc(C)cn1 ZINC001029511287 972398290 /nfs/dbraw/zinc/39/82/90/972398290.db2.gz GRAYQYFGBTVUOG-JGLNRKDHSA-N 1 2 370.497 2.502 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1cnc(C)cn1 ZINC001029511287 972398297 /nfs/dbraw/zinc/39/82/97/972398297.db2.gz GRAYQYFGBTVUOG-JGLNRKDHSA-N 1 2 370.497 2.502 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)c(F)c1)C2 ZINC001275991652 1013259852 /nfs/dbraw/zinc/25/98/52/1013259852.db2.gz NRJDYGWBLGJLOL-SFHVURJKSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)c(F)c1)C2 ZINC001275991652 1013259858 /nfs/dbraw/zinc/25/98/58/1013259858.db2.gz NRJDYGWBLGJLOL-SFHVURJKSA-N 1 2 352.837 2.716 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(C3OCCO3)CC2)c1C#N ZINC000773428241 1013355318 /nfs/dbraw/zinc/35/53/18/1013355318.db2.gz OQLPDZDPOKHZBF-UHFFFAOYSA-N 1 2 352.438 2.637 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)CC)CCCCC1 ZINC001110177247 1013359091 /nfs/dbraw/zinc/35/90/91/1013359091.db2.gz IMGLGXGGMDRENI-YRXWBPOGSA-N 1 2 373.541 2.596 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)CC)CCCCC1 ZINC001110177247 1013359105 /nfs/dbraw/zinc/35/91/05/1013359105.db2.gz IMGLGXGGMDRENI-YRXWBPOGSA-N 1 2 373.541 2.596 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(OC)no2)CCCCC1 ZINC001110177845 1013365885 /nfs/dbraw/zinc/36/58/85/1013365885.db2.gz KPOLTEDZHJANNI-NJAFHUGGSA-N 1 2 371.481 2.879 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(OC)no2)CCCCC1 ZINC001110177845 1013365895 /nfs/dbraw/zinc/36/58/95/1013365895.db2.gz KPOLTEDZHJANNI-NJAFHUGGSA-N 1 2 371.481 2.879 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(O)ccc1Cl ZINC001111488566 962767120 /nfs/dbraw/zinc/76/71/20/962767120.db2.gz NUZMCYLRGGYFNS-GGBBIFEXSA-N 1 2 364.873 2.858 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(O)ccc1Cl ZINC001111488566 962767132 /nfs/dbraw/zinc/76/71/32/962767132.db2.gz NUZMCYLRGGYFNS-GGBBIFEXSA-N 1 2 364.873 2.858 20 30 FFEDLO N#Cc1ccc2c(c1)C[C@H](NC(=O)c1ccc(NCCn3cc[nH+]c3)cc1)C2 ZINC001175029931 1013371913 /nfs/dbraw/zinc/37/19/13/1013371913.db2.gz MXWFUXZXLUCNHJ-OAQYLSRUSA-N 1 2 371.444 2.764 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(C)c(F)c1F)C2 ZINC001276067121 1013399648 /nfs/dbraw/zinc/39/96/48/1013399648.db2.gz KNLYAQCQGYBHQI-HXUWFJFHSA-N 1 2 364.436 2.900 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(C)c(F)c1F)C2 ZINC001276067121 1013399656 /nfs/dbraw/zinc/39/96/56/1013399656.db2.gz KNLYAQCQGYBHQI-HXUWFJFHSA-N 1 2 364.436 2.900 20 30 FFEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3cccc(C(F)(F)F)c3F)C2)OCC1=O ZINC001276074805 1013411080 /nfs/dbraw/zinc/41/10/80/1013411080.db2.gz OMDUKMWWHFZDAI-QGZVFWFLSA-N 1 2 372.362 2.834 20 30 FFEDLO C=CCN1C[C@]2(CC[N@H+](Cc3cccc(C(F)(F)F)c3F)C2)OCC1=O ZINC001276074805 1013411102 /nfs/dbraw/zinc/41/11/02/1013411102.db2.gz OMDUKMWWHFZDAI-QGZVFWFLSA-N 1 2 372.362 2.834 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(O)ccc1Cl ZINC001110185863 1013458919 /nfs/dbraw/zinc/45/89/19/1013458919.db2.gz NUZMCYLRGGYFNS-NMVRNDPTSA-N 1 2 364.873 2.858 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(O)ccc1Cl ZINC001110185863 1013458922 /nfs/dbraw/zinc/45/89/22/1013458922.db2.gz NUZMCYLRGGYFNS-NMVRNDPTSA-N 1 2 364.873 2.858 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971714997 964731716 /nfs/dbraw/zinc/73/17/16/964731716.db2.gz BXMQCIAEMPXYDY-ZMYBRWDISA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971714997 964731727 /nfs/dbraw/zinc/73/17/27/964731727.db2.gz BXMQCIAEMPXYDY-ZMYBRWDISA-N 1 2 359.445 2.545 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@H+](C[C@H](O)COc3ccc(F)cc3)CCO2)cc1 ZINC000933622887 964967444 /nfs/dbraw/zinc/96/74/44/964967444.db2.gz NYKAXIKPQRAYID-ICSRJNTNSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@@H+](C[C@H](O)COc3ccc(F)cc3)CCO2)cc1 ZINC000933622887 964967452 /nfs/dbraw/zinc/96/74/52/964967452.db2.gz NYKAXIKPQRAYID-ICSRJNTNSA-N 1 2 356.397 2.511 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1CCC)C1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001270338679 964968160 /nfs/dbraw/zinc/96/81/60/964968160.db2.gz NKINPCAPZZILIH-YXJHDRRASA-N 1 2 358.486 2.801 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1C1CCC1)C1CC[NH+]([C@H](C)c2nc(C)no2)CC1 ZINC001270351431 964981402 /nfs/dbraw/zinc/98/14/02/964981402.db2.gz OIRRNHIZTTXKJR-MDASCCDHSA-N 1 2 370.497 2.801 20 30 FFEDLO CCOC1CC(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(F)ccc4C#N)C[C@H]32)C1 ZINC001075758027 965227693 /nfs/dbraw/zinc/22/76/93/965227693.db2.gz ABMIECRJCSRDAA-GFBXMDILSA-N 1 2 371.456 2.545 20 30 FFEDLO CCOC1CC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(F)ccc4C#N)C[C@H]32)C1 ZINC001075758027 965227698 /nfs/dbraw/zinc/22/76/98/965227698.db2.gz ABMIECRJCSRDAA-GFBXMDILSA-N 1 2 371.456 2.545 20 30 FFEDLO COc1cccc([C@@H](C#N)NC(=O)Cc2cn3cccc(C)c3[nH+]2)c1OC ZINC000729435659 965307327 /nfs/dbraw/zinc/30/73/27/965307327.db2.gz YGPRVJRSGMZUQT-MRXNPFEDSA-N 1 2 364.405 2.584 20 30 FFEDLO C[NH+](C)[C@@H](C(=O)Nc1ncc2c(c1C#N)COCC2)c1ccc(Cl)cc1 ZINC000891899127 965363323 /nfs/dbraw/zinc/36/33/23/965363323.db2.gz KSFSWLPYIRKINF-QGZVFWFLSA-N 1 2 370.840 2.921 20 30 FFEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC000971925380 965715036 /nfs/dbraw/zinc/71/50/36/965715036.db2.gz WSXRIRPZVGHJNA-ZVDOUQERSA-N 1 2 371.456 2.689 20 30 FFEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC000971925380 965715043 /nfs/dbraw/zinc/71/50/43/965715043.db2.gz WSXRIRPZVGHJNA-ZVDOUQERSA-N 1 2 371.456 2.689 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)c2cocc2C)C1 ZINC001087478065 965716010 /nfs/dbraw/zinc/71/60/10/965716010.db2.gz YVAVIQBWZBGBBI-LPHOPBHVSA-N 1 2 370.424 2.957 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)c2cocc2C)C1 ZINC001087478065 965716017 /nfs/dbraw/zinc/71/60/17/965716017.db2.gz YVAVIQBWZBGBBI-LPHOPBHVSA-N 1 2 370.424 2.957 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCO2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087493497 966130568 /nfs/dbraw/zinc/13/05/68/966130568.db2.gz YHLGIEKFWJHDAS-OTWHNJEPSA-N 1 2 360.885 2.840 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCO2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087493497 966130574 /nfs/dbraw/zinc/13/05/74/966130574.db2.gz YHLGIEKFWJHDAS-OTWHNJEPSA-N 1 2 360.885 2.840 20 30 FFEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c[nH+]c12 ZINC000255505651 966454845 /nfs/dbraw/zinc/45/48/45/966454845.db2.gz IXBUXCJATGOHIW-FLIBITNWSA-N 1 2 369.446 2.789 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C(C)(C)C)on2)C1 ZINC000972375022 966871340 /nfs/dbraw/zinc/87/13/40/966871340.db2.gz YGKQDEKJCRPVIO-ZACQAIPSSA-N 1 2 361.486 2.596 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C(C)(C)C)on2)C1 ZINC000972375022 966871347 /nfs/dbraw/zinc/87/13/47/966871347.db2.gz YGKQDEKJCRPVIO-ZACQAIPSSA-N 1 2 361.486 2.596 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cncs2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001087513906 967542114 /nfs/dbraw/zinc/54/21/14/967542114.db2.gz RCLKOLMCYCREFH-JKSUJKDBSA-N 1 2 358.442 2.937 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cncs2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001087513906 967542126 /nfs/dbraw/zinc/54/21/26/967542126.db2.gz RCLKOLMCYCREFH-JKSUJKDBSA-N 1 2 358.442 2.937 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029311892 967684278 /nfs/dbraw/zinc/68/42/78/967684278.db2.gz FUZOUZRXSKISBI-OHQAAIJDSA-N 1 2 371.506 2.776 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029311892 967684283 /nfs/dbraw/zinc/68/42/83/967684283.db2.gz FUZOUZRXSKISBI-OHQAAIJDSA-N 1 2 371.506 2.776 20 30 FFEDLO CCc1ocnc1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001075634400 967972711 /nfs/dbraw/zinc/97/27/11/967972711.db2.gz NMADTOUQFTVBDD-WMLDXEAASA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1ocnc1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001075634400 967972714 /nfs/dbraw/zinc/97/27/14/967972714.db2.gz NMADTOUQFTVBDD-WMLDXEAASA-N 1 2 368.412 2.594 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ncccc2O)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001087552202 968084512 /nfs/dbraw/zinc/08/45/12/968084512.db2.gz RWXVVWYJXRIDKT-ZWKOTPCHSA-N 1 2 367.424 2.561 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ncccc2O)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001087552202 968084518 /nfs/dbraw/zinc/08/45/18/968084518.db2.gz RWXVVWYJXRIDKT-ZWKOTPCHSA-N 1 2 367.424 2.561 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cc2ccncc2C)[C@H]1CC ZINC001087571667 968205240 /nfs/dbraw/zinc/20/52/40/968205240.db2.gz FGGULYVKZNZIIW-JKSUJKDBSA-N 1 2 366.303 2.810 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cc2ccncc2C)[C@H]1CC ZINC001087571667 968205250 /nfs/dbraw/zinc/20/52/50/968205250.db2.gz FGGULYVKZNZIIW-JKSUJKDBSA-N 1 2 366.303 2.810 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2csc(C)n2)[C@H]1CC ZINC001087699780 968652485 /nfs/dbraw/zinc/65/24/85/968652485.db2.gz LOWDLXQQYNVKMD-WCQYABFASA-N 1 2 358.305 2.943 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2csc(C)n2)[C@H]1CC ZINC001087699780 968652491 /nfs/dbraw/zinc/65/24/91/968652491.db2.gz LOWDLXQQYNVKMD-WCQYABFASA-N 1 2 358.305 2.943 20 30 FFEDLO CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1C#N ZINC001176967242 1013816937 /nfs/dbraw/zinc/81/69/37/1013816937.db2.gz HTZMVTWPLQJYRI-OAHLLOKOSA-N 1 2 363.421 2.767 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=C)Br)[C@@H]2CC)c1 ZINC001087718890 968718433 /nfs/dbraw/zinc/71/84/33/968718433.db2.gz OIVOPPLJGKOMRR-JKSUJKDBSA-N 1 2 362.271 2.554 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC(=C)Br)[C@@H]2CC)c1 ZINC001087718890 968718441 /nfs/dbraw/zinc/71/84/41/968718441.db2.gz OIVOPPLJGKOMRR-JKSUJKDBSA-N 1 2 362.271 2.554 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncc(C(C)C)o2)[C@@H]1CC ZINC001087732424 968792564 /nfs/dbraw/zinc/79/25/64/968792564.db2.gz VEBQJMWEZCSNIJ-TWMKSMIVSA-N 1 2 361.486 2.858 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C(C)C)o2)[C@@H]1CC ZINC001087732424 968792577 /nfs/dbraw/zinc/79/25/77/968792577.db2.gz VEBQJMWEZCSNIJ-TWMKSMIVSA-N 1 2 361.486 2.858 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cscn3)[C@@H]2CC)cc1 ZINC001087753756 968905526 /nfs/dbraw/zinc/90/55/26/968905526.db2.gz WLHCQFUCVILYIE-RBUKOAKNSA-N 1 2 369.490 2.938 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cscn3)[C@@H]2CC)cc1 ZINC001087753756 968905536 /nfs/dbraw/zinc/90/55/36/968905536.db2.gz WLHCQFUCVILYIE-RBUKOAKNSA-N 1 2 369.490 2.938 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C)on3)[C@@H]2CC)cc1 ZINC001087753324 968906528 /nfs/dbraw/zinc/90/65/28/968906528.db2.gz CXACHQYAGUDPNH-VQTJNVASSA-N 1 2 367.449 2.778 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)on3)[C@@H]2CC)cc1 ZINC001087753324 968906538 /nfs/dbraw/zinc/90/65/38/968906538.db2.gz CXACHQYAGUDPNH-VQTJNVASSA-N 1 2 367.449 2.778 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1nc(C)oc1C ZINC001024444310 968923694 /nfs/dbraw/zinc/92/36/94/968923694.db2.gz YZWPUCKLNLBQNJ-SCTDSRPQSA-N 1 2 361.486 2.743 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nc(C)oc1C ZINC001024444310 968923703 /nfs/dbraw/zinc/92/37/03/968923703.db2.gz YZWPUCKLNLBQNJ-SCTDSRPQSA-N 1 2 361.486 2.743 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2F)cc1C#N ZINC001271143378 968934623 /nfs/dbraw/zinc/93/46/23/968934623.db2.gz VZQIXPFEDSNEOS-IYBDPMFKSA-N 1 2 352.413 2.525 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2F)cc1C#N ZINC001271143378 968934628 /nfs/dbraw/zinc/93/46/28/968934628.db2.gz VZQIXPFEDSNEOS-IYBDPMFKSA-N 1 2 352.413 2.525 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(Cl)nc3)[C@@H]2CC)nc1 ZINC001087800356 969123207 /nfs/dbraw/zinc/12/32/07/969123207.db2.gz NWHLRUKSANAMEB-FUHWJXTLSA-N 1 2 368.868 2.894 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(Cl)nc3)[C@@H]2CC)nc1 ZINC001087800356 969123215 /nfs/dbraw/zinc/12/32/15/969123215.db2.gz NWHLRUKSANAMEB-FUHWJXTLSA-N 1 2 368.868 2.894 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1nc(C)cs1)c1ccccc1 ZINC001267523921 969279611 /nfs/dbraw/zinc/27/96/11/969279611.db2.gz ZCQIURPRGBEVDU-SQNIBIBYSA-N 1 2 371.506 2.990 20 30 FFEDLO N#Cc1cccnc1OC1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000782944465 970018910 /nfs/dbraw/zinc/01/89/10/970018910.db2.gz PNNZYBJZYGVGPL-UHFFFAOYSA-N 1 2 361.405 2.721 20 30 FFEDLO C[C@@H](NC(=O)N1CCC(c2ccc(C#N)cc2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000892838622 970321864 /nfs/dbraw/zinc/32/18/64/970321864.db2.gz PMCSWECOVBEIMR-IAGOWNOFSA-N 1 2 370.497 2.556 20 30 FFEDLO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC001141814694 970695648 /nfs/dbraw/zinc/69/56/48/970695648.db2.gz NOBGCYWICNDYNP-RISCZKNCSA-N 1 2 351.244 2.952 20 30 FFEDLO COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC001141814694 970695652 /nfs/dbraw/zinc/69/56/52/970695652.db2.gz NOBGCYWICNDYNP-RISCZKNCSA-N 1 2 351.244 2.952 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3CCC)CC[C@@H]2C1 ZINC001088093539 972731157 /nfs/dbraw/zinc/73/11/57/972731157.db2.gz ZVYUJGFBVOIXDK-FUHIMQAGSA-N 1 2 359.518 2.571 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3CCC)CC[C@@H]2C1 ZINC001088093539 972731164 /nfs/dbraw/zinc/73/11/64/972731164.db2.gz ZVYUJGFBVOIXDK-FUHIMQAGSA-N 1 2 359.518 2.571 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001211663775 973299258 /nfs/dbraw/zinc/29/92/58/973299258.db2.gz BFAFNEKNOBDSKW-ZWKOTPCHSA-N 1 2 356.495 2.979 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3nncs3)CC[C@@H]2C1)c1ccccc1 ZINC001088210095 973660869 /nfs/dbraw/zinc/66/08/69/973660869.db2.gz WVUCXFYCHRPBNU-FGTMMUONSA-N 1 2 368.506 2.788 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3nncs3)CC[C@@H]2C1)c1ccccc1 ZINC001088210095 973660875 /nfs/dbraw/zinc/66/08/75/973660875.db2.gz WVUCXFYCHRPBNU-FGTMMUONSA-N 1 2 368.506 2.788 20 30 FFEDLO Cc1cc(C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4Cl)C[C@H]32)[nH]n1 ZINC001075587900 975887869 /nfs/dbraw/zinc/88/78/69/975887869.db2.gz OVLFLVWPTOMJHL-QFBILLFUSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4Cl)C[C@H]32)[nH]n1 ZINC001075587900 975887876 /nfs/dbraw/zinc/88/78/76/975887876.db2.gz OVLFLVWPTOMJHL-QFBILLFUSA-N 1 2 368.868 2.570 20 30 FFEDLO N#Cc1c(F)cccc1N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066802287 1014304272 /nfs/dbraw/zinc/30/42/72/1014304272.db2.gz IYEZZBUFBASNME-RBSFLKMASA-N 1 2 367.428 2.699 20 30 FFEDLO N#Cc1c(F)cccc1N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066802287 1014304278 /nfs/dbraw/zinc/30/42/78/1014304278.db2.gz IYEZZBUFBASNME-RBSFLKMASA-N 1 2 367.428 2.699 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)CC2)s1 ZINC000981191026 976330295 /nfs/dbraw/zinc/33/02/95/976330295.db2.gz LYXNFPCKUXOMSV-RBUKOAKNSA-N 1 2 366.490 2.853 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)CC2)s1 ZINC000981191026 976330302 /nfs/dbraw/zinc/33/03/02/976330302.db2.gz LYXNFPCKUXOMSV-RBUKOAKNSA-N 1 2 366.490 2.853 20 30 FFEDLO N#CCCn1ncc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)c1-c1ccccc1 ZINC000898503052 976510267 /nfs/dbraw/zinc/51/02/67/976510267.db2.gz SOPRMSIIHAJUFU-QGZVFWFLSA-N 1 2 369.444 2.627 20 30 FFEDLO N#CCCn1ncc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)c1-c1ccccc1 ZINC000898503052 976510272 /nfs/dbraw/zinc/51/02/72/976510272.db2.gz SOPRMSIIHAJUFU-QGZVFWFLSA-N 1 2 369.444 2.627 20 30 FFEDLO Cc1ccc(-c2cnc(C[N@H+]3C[C@@H]4CCN(C(=O)[C@H](C)C#N)[C@@H]4C3)o2)cc1 ZINC001075615840 977313400 /nfs/dbraw/zinc/31/34/00/977313400.db2.gz ANXZGBFDLOPRQP-BPQIPLTHSA-N 1 2 364.449 2.842 20 30 FFEDLO Cc1ccc(-c2cnc(C[N@@H+]3C[C@@H]4CCN(C(=O)[C@H](C)C#N)[C@@H]4C3)o2)cc1 ZINC001075615840 977313405 /nfs/dbraw/zinc/31/34/05/977313405.db2.gz ANXZGBFDLOPRQP-BPQIPLTHSA-N 1 2 364.449 2.842 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(Br)s3)C[C@H]21 ZINC001075616307 977321661 /nfs/dbraw/zinc/32/16/61/977321661.db2.gz ONUAPEGUCMYGPR-NTZNESFSSA-N 1 2 368.300 2.703 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(Br)s3)C[C@H]21 ZINC001075616307 977321668 /nfs/dbraw/zinc/32/16/68/977321668.db2.gz ONUAPEGUCMYGPR-NTZNESFSSA-N 1 2 368.300 2.703 20 30 FFEDLO CCc1nocc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001088842256 977903306 /nfs/dbraw/zinc/90/33/06/977903306.db2.gz WXIBHTJTYDTZCY-XIKOKIGWSA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1nocc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001088842256 977903308 /nfs/dbraw/zinc/90/33/08/977903308.db2.gz WXIBHTJTYDTZCY-XIKOKIGWSA-N 1 2 356.401 2.641 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cc(CCC)on2)C1 ZINC001087459405 977977281 /nfs/dbraw/zinc/97/72/81/977977281.db2.gz CNTXTDADESXXBC-UYAOXDASSA-N 1 2 369.440 2.987 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cc(CCC)on2)C1 ZINC001087459405 977977290 /nfs/dbraw/zinc/97/72/90/977977290.db2.gz CNTXTDADESXXBC-UYAOXDASSA-N 1 2 369.440 2.987 20 30 FFEDLO CCCc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)cs1 ZINC001075658740 978151844 /nfs/dbraw/zinc/15/18/44/978151844.db2.gz QVFLXQMLBBGIFB-WMLDXEAASA-N 1 2 369.494 2.642 20 30 FFEDLO CCCc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)cs1 ZINC001075658740 978151849 /nfs/dbraw/zinc/15/18/49/978151849.db2.gz QVFLXQMLBBGIFB-WMLDXEAASA-N 1 2 369.494 2.642 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@H]2C[N@H+](Cc3cnc(Cl)s3)C[C@@]2(C)C1 ZINC001101229959 978249330 /nfs/dbraw/zinc/24/93/30/978249330.db2.gz PQYKPJZSAWFLIM-DYVFJYSZSA-N 1 2 351.903 2.736 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@H]2C[N@@H+](Cc3cnc(Cl)s3)C[C@@]2(C)C1 ZINC001101229959 978249332 /nfs/dbraw/zinc/24/93/32/978249332.db2.gz PQYKPJZSAWFLIM-DYVFJYSZSA-N 1 2 351.903 2.736 20 30 FFEDLO CCCCCCCCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)NCCS(C)(=O)=O ZINC001279869530 978317902 /nfs/dbraw/zinc/31/79/02/978317902.db2.gz HLWRYUBKQHFHKT-MJGOQNOKSA-N 1 2 372.575 2.752 20 30 FFEDLO CCCCCCCCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)NCCS(C)(=O)=O ZINC001279869530 978317911 /nfs/dbraw/zinc/31/79/11/978317911.db2.gz HLWRYUBKQHFHKT-MJGOQNOKSA-N 1 2 372.575 2.752 20 30 FFEDLO N#CCOc1ccc(C[N@H+]2Cc3nccn3C[C@H](COCC3CC3)C2)cc1 ZINC001137118133 1014542305 /nfs/dbraw/zinc/54/23/05/1014542305.db2.gz NEKDTPOHURCYSI-LJQANCHMSA-N 1 2 366.465 2.844 20 30 FFEDLO N#CCOc1ccc(C[N@@H+]2Cc3nccn3C[C@H](COCC3CC3)C2)cc1 ZINC001137118133 1014542315 /nfs/dbraw/zinc/54/23/15/1014542315.db2.gz NEKDTPOHURCYSI-LJQANCHMSA-N 1 2 366.465 2.844 20 30 FFEDLO COc1csc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)c1 ZINC001076122325 979136948 /nfs/dbraw/zinc/13/69/48/979136948.db2.gz VLIQZHBAVFWFMG-FUHWJXTLSA-N 1 2 367.474 2.975 20 30 FFEDLO COc1csc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)c1 ZINC001076122325 979136954 /nfs/dbraw/zinc/13/69/54/979136954.db2.gz VLIQZHBAVFWFMG-FUHWJXTLSA-N 1 2 367.474 2.975 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3[nH]ccc3C3CC3)[C@@H]2C1 ZINC001075870792 979186323 /nfs/dbraw/zinc/18/63/23/979186323.db2.gz STQZMWIIHIUQPP-DZGCQCFKSA-N 1 2 364.287 2.947 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3[nH]ccc3C3CC3)[C@@H]2C1 ZINC001075870792 979186333 /nfs/dbraw/zinc/18/63/33/979186333.db2.gz STQZMWIIHIUQPP-DZGCQCFKSA-N 1 2 364.287 2.947 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001137119436 1014559351 /nfs/dbraw/zinc/55/93/51/1014559351.db2.gz NUXMIFUKFYUIFY-LJQANCHMSA-N 1 2 352.438 2.624 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001137119436 1014559360 /nfs/dbraw/zinc/55/93/60/1014559360.db2.gz NUXMIFUKFYUIFY-LJQANCHMSA-N 1 2 352.438 2.624 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCCOC3)[C@@H]2C1 ZINC001076409918 979466932 /nfs/dbraw/zinc/46/69/32/979466932.db2.gz XZCDIGCHXYMSGY-HRCADAONSA-N 1 2 371.319 2.635 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCCOC3)[C@@H]2C1 ZINC001076409918 979466936 /nfs/dbraw/zinc/46/69/36/979466936.db2.gz XZCDIGCHXYMSGY-HRCADAONSA-N 1 2 371.319 2.635 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(=O)Nc3cccc(F)c3)[C@@H]2C)C1 ZINC001088844408 979694194 /nfs/dbraw/zinc/69/41/94/979694194.db2.gz PMWCUPWLBOINOA-PBHICJAKSA-N 1 2 359.445 2.700 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(=O)Nc3cccc(F)c3)[C@@H]2C)C1 ZINC001088844408 979694198 /nfs/dbraw/zinc/69/41/98/979694198.db2.gz PMWCUPWLBOINOA-PBHICJAKSA-N 1 2 359.445 2.700 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3ccc(C)o3)[C@@H]2C1 ZINC001076604310 979708067 /nfs/dbraw/zinc/70/80/67/979708067.db2.gz XOTPGVWIBIAKFN-GOEBONIOSA-N 1 2 367.287 2.962 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ccc(C)o3)[C@@H]2C1 ZINC001076604310 979708069 /nfs/dbraw/zinc/70/80/69/979708069.db2.gz XOTPGVWIBIAKFN-GOEBONIOSA-N 1 2 367.287 2.962 20 30 FFEDLO CC(C)c1ccccc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001077095987 979997331 /nfs/dbraw/zinc/99/73/31/979997331.db2.gz SQZCPNHUIBLPPF-RTBURBONSA-N 1 2 369.490 2.718 20 30 FFEDLO CC(C)c1ccccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001077095987 979997334 /nfs/dbraw/zinc/99/73/34/979997334.db2.gz SQZCPNHUIBLPPF-RTBURBONSA-N 1 2 369.490 2.718 20 30 FFEDLO CCc1ocnc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088499589 980088054 /nfs/dbraw/zinc/08/80/54/980088054.db2.gz JYLYVBHORKTQLS-WBMJQRKESA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1ocnc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088499589 980088060 /nfs/dbraw/zinc/08/80/60/980088060.db2.gz JYLYVBHORKTQLS-WBMJQRKESA-N 1 2 356.401 2.641 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncccc2O)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001088538628 980480907 /nfs/dbraw/zinc/48/09/07/980480907.db2.gz JUVBXUFOXNODFH-PBHICJAKSA-N 1 2 369.852 2.685 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncccc2O)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001088538628 980480909 /nfs/dbraw/zinc/48/09/09/980480909.db2.gz JUVBXUFOXNODFH-PBHICJAKSA-N 1 2 369.852 2.685 20 30 FFEDLO C#CC[C@H](COC)[NH2+]Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1 ZINC000877661643 1014666316 /nfs/dbraw/zinc/66/63/16/1014666316.db2.gz GBQFNCOLLCJMHI-OAHLLOKOSA-N 1 2 373.478 2.964 20 30 FFEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907808055 981307898 /nfs/dbraw/zinc/30/78/98/981307898.db2.gz CYHJZKGJVINDFU-LPHOPBHVSA-N 1 2 372.513 2.902 20 30 FFEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907808055 981307905 /nfs/dbraw/zinc/30/79/05/981307905.db2.gz CYHJZKGJVINDFU-LPHOPBHVSA-N 1 2 372.513 2.902 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCOC2CCCC2)CC1=O ZINC000179230392 981550863 /nfs/dbraw/zinc/55/08/63/981550863.db2.gz JMTSVMNYOYCZFI-UHFFFAOYSA-N 1 2 354.454 2.605 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2cc3n(n2)CCCC3)[C@@H]1C ZINC001088623478 982004111 /nfs/dbraw/zinc/00/41/11/982004111.db2.gz CETOPSYHMTZWSH-APWZRJJASA-N 1 2 367.497 2.600 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2cc3n(n2)CCCC3)[C@@H]1C ZINC001088623478 982004120 /nfs/dbraw/zinc/00/41/20/982004120.db2.gz CETOPSYHMTZWSH-APWZRJJASA-N 1 2 367.497 2.600 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1c(F)cccc1F ZINC001483395941 982033716 /nfs/dbraw/zinc/03/37/16/982033716.db2.gz LQZOGCHHEZCTIM-DEYYWGMASA-N 1 2 352.425 2.883 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1c(F)cccc1F ZINC001483395941 982033726 /nfs/dbraw/zinc/03/37/26/982033726.db2.gz LQZOGCHHEZCTIM-DEYYWGMASA-N 1 2 352.425 2.883 20 30 FFEDLO COC(=O)/C=C/c1ccc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)o1 ZINC000897596432 982373395 /nfs/dbraw/zinc/37/33/95/982373395.db2.gz PYKLPPBXPLPTBH-CSHXORCISA-N 1 2 352.390 2.911 20 30 FFEDLO COC(=O)/C=C/c1ccc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)o1 ZINC000897596432 982373404 /nfs/dbraw/zinc/37/34/04/982373404.db2.gz PYKLPPBXPLPTBH-CSHXORCISA-N 1 2 352.390 2.911 20 30 FFEDLO O=C1C=COC2(CC[NH+](Cc3nnn(-c4ccccc4)c3C3CC3)CC2)C1 ZINC000897599742 982374846 /nfs/dbraw/zinc/37/48/46/982374846.db2.gz UFBBFMYVRKUMSZ-UHFFFAOYSA-N 1 2 364.449 2.982 20 30 FFEDLO COc1ccccc1C[N@H+](CCO)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878049110 1014834762 /nfs/dbraw/zinc/83/47/62/1014834762.db2.gz ZJJQEQKOHJMSDK-QFIPXVFZSA-N 1 2 366.461 2.930 20 30 FFEDLO COc1ccccc1C[N@@H+](CCO)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878049110 1014834777 /nfs/dbraw/zinc/83/47/77/1014834777.db2.gz ZJJQEQKOHJMSDK-QFIPXVFZSA-N 1 2 366.461 2.930 20 30 FFEDLO Cc1nc(NC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)ccc1C#N ZINC001060319451 984687029 /nfs/dbraw/zinc/68/70/29/984687029.db2.gz WFNJNKQQPXRKJC-BRWVUGGUSA-N 1 2 364.453 2.582 20 30 FFEDLO Cc1nc(NC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccc1C#N ZINC001060319451 984687035 /nfs/dbraw/zinc/68/70/35/984687035.db2.gz WFNJNKQQPXRKJC-BRWVUGGUSA-N 1 2 364.453 2.582 20 30 FFEDLO C=CCC(C)(C)C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000796462363 1015072175 /nfs/dbraw/zinc/07/21/75/1015072175.db2.gz BFHAGTXWPLJIFE-UHFFFAOYSA-N 1 2 360.454 2.603 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cnc(OC)c3ccccc23)n1 ZINC000878526808 1015085266 /nfs/dbraw/zinc/08/52/66/1015085266.db2.gz XPWWWZIEJBEQJJ-UHFFFAOYSA-N 1 2 364.449 2.722 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cnc(OC)c3ccccc23)n1 ZINC000878526808 1015085281 /nfs/dbraw/zinc/08/52/81/1015085281.db2.gz XPWWWZIEJBEQJJ-UHFFFAOYSA-N 1 2 364.449 2.722 20 30 FFEDLO Cc1cccc2c1CC[N@H+](CN1C(=O)N[C@](C)(c3cccc(C#N)c3)C1=O)C2 ZINC000170903852 985170793 /nfs/dbraw/zinc/17/07/93/985170793.db2.gz YUDGNKUNZCZTBY-JOCHJYFZSA-N 1 2 374.444 2.650 20 30 FFEDLO Cc1cccc2c1CC[N@@H+](CN1C(=O)N[C@](C)(c3cccc(C#N)c3)C1=O)C2 ZINC000170903852 985170798 /nfs/dbraw/zinc/17/07/98/985170798.db2.gz YUDGNKUNZCZTBY-JOCHJYFZSA-N 1 2 374.444 2.650 20 30 FFEDLO Cc1cccc2c1CC[N@H+](CN1CC(=O)N(Cc3ccc(C#N)cc3)C1=O)C2 ZINC000170903718 985171317 /nfs/dbraw/zinc/17/13/17/985171317.db2.gz SZAJGSQYBAAKLE-UHFFFAOYSA-N 1 2 374.444 2.647 20 30 FFEDLO Cc1cccc2c1CC[N@@H+](CN1CC(=O)N(Cc3ccc(C#N)cc3)C1=O)C2 ZINC000170903718 985171319 /nfs/dbraw/zinc/17/13/19/985171319.db2.gz SZAJGSQYBAAKLE-UHFFFAOYSA-N 1 2 374.444 2.647 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C(C)C)n1 ZINC001032410359 985249475 /nfs/dbraw/zinc/24/94/75/985249475.db2.gz YLFRETXHHMIQTH-HUUJSLGLSA-N 1 2 369.509 2.971 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C(C)C)n1 ZINC001032410359 985249485 /nfs/dbraw/zinc/24/94/85/985249485.db2.gz YLFRETXHHMIQTH-HUUJSLGLSA-N 1 2 369.509 2.971 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2coc(C3CC3)n2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088903348 985398846 /nfs/dbraw/zinc/39/88/46/985398846.db2.gz LXJRYKSDSKDXMP-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2coc(C3CC3)n2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088903348 985398857 /nfs/dbraw/zinc/39/88/57/985398857.db2.gz LXJRYKSDSKDXMP-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[N@@H+](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000878630915 1015142279 /nfs/dbraw/zinc/14/22/79/1015142279.db2.gz QSNGLXYWVXZJFH-NRFANRHFSA-N 1 2 371.481 2.978 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[N@H+](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000878630915 1015142283 /nfs/dbraw/zinc/14/22/83/1015142283.db2.gz QSNGLXYWVXZJFH-NRFANRHFSA-N 1 2 371.481 2.978 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)[C@@H]2C)o1 ZINC001088959653 985623477 /nfs/dbraw/zinc/62/34/77/985623477.db2.gz QBJLSSZXLGOGIM-DOMZBBRYSA-N 1 2 358.467 2.871 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)[C@@H]2C)o1 ZINC001088959653 985623484 /nfs/dbraw/zinc/62/34/84/985623484.db2.gz QBJLSSZXLGOGIM-DOMZBBRYSA-N 1 2 358.467 2.871 20 30 FFEDLO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001168605446 985783229 /nfs/dbraw/zinc/78/32/29/985783229.db2.gz WUBHQQHCWRAGBW-RVKKMQEKSA-N 1 2 359.470 2.921 20 30 FFEDLO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001168605446 985783239 /nfs/dbraw/zinc/78/32/39/985783239.db2.gz WUBHQQHCWRAGBW-RVKKMQEKSA-N 1 2 359.470 2.921 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)sc3C)[C@@H]2C)nc1 ZINC001088990718 985788705 /nfs/dbraw/zinc/78/87/05/985788705.db2.gz MLVKUOMCNNTKKK-WBMJQRKESA-N 1 2 354.479 2.529 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)sc3C)[C@@H]2C)nc1 ZINC001088990718 985788711 /nfs/dbraw/zinc/78/87/11/985788711.db2.gz MLVKUOMCNNTKKK-WBMJQRKESA-N 1 2 354.479 2.529 20 30 FFEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)NC2(CCCCC2)C1=O ZINC000063729723 986023889 /nfs/dbraw/zinc/02/38/89/986023889.db2.gz RVYUGBAXSSXDTQ-UHFFFAOYSA-N 1 2 354.454 2.981 20 30 FFEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)NC2(CCCCC2)C1=O ZINC000063729723 986023900 /nfs/dbraw/zinc/02/39/00/986023900.db2.gz RVYUGBAXSSXDTQ-UHFFFAOYSA-N 1 2 354.454 2.981 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1ncc(C3CC3)o1)CC2 ZINC000992174343 986491827 /nfs/dbraw/zinc/49/18/27/986491827.db2.gz DKEZKZRROVWFHQ-JIYIMXKPSA-N 1 2 371.481 2.756 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1ncc(C3CC3)o1)CC2 ZINC000992174343 986491832 /nfs/dbraw/zinc/49/18/32/986491832.db2.gz DKEZKZRROVWFHQ-JIYIMXKPSA-N 1 2 371.481 2.756 20 30 FFEDLO Cc1cccc2c1C[N@H+](CN1CC(=O)N(Cc3ccccc3C#N)C1=O)CC2 ZINC000762089170 988105899 /nfs/dbraw/zinc/10/58/99/988105899.db2.gz XROATIIKIGSDPM-UHFFFAOYSA-N 1 2 374.444 2.647 20 30 FFEDLO Cc1cccc2c1C[N@@H+](CN1CC(=O)N(Cc3ccccc3C#N)C1=O)CC2 ZINC000762089170 988105904 /nfs/dbraw/zinc/10/59/04/988105904.db2.gz XROATIIKIGSDPM-UHFFFAOYSA-N 1 2 374.444 2.647 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106571882 988410719 /nfs/dbraw/zinc/41/07/19/988410719.db2.gz BOVYCSHRDGJBCJ-XCRHUMRWSA-N 1 2 358.486 2.562 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)cc1F ZINC001007915378 1015419794 /nfs/dbraw/zinc/41/97/94/1015419794.db2.gz WDNYACVHYMHRJC-QFUCXCTJSA-N 1 2 371.456 2.737 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)cc1F ZINC001007915378 1015419798 /nfs/dbraw/zinc/41/97/98/1015419798.db2.gz WDNYACVHYMHRJC-QFUCXCTJSA-N 1 2 371.456 2.737 20 30 FFEDLO N#Cc1ccc(N2CCC(C(=O)OCc3ccc[nH+]c3N)CC2)c(F)c1 ZINC000922727526 988847078 /nfs/dbraw/zinc/84/70/78/988847078.db2.gz ZWYUKPUYMNDWBD-UHFFFAOYSA-N 1 2 354.385 2.634 20 30 FFEDLO C#CC[C@]1(C(=O)OCc2ccc(N)[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000922736188 988850873 /nfs/dbraw/zinc/85/08/73/988850873.db2.gz GZOSOCDXSOJDSR-LJQANCHMSA-N 1 2 359.426 2.500 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)nc1 ZINC000766036890 989326924 /nfs/dbraw/zinc/32/69/24/989326924.db2.gz GKTXNAGTKDPKTR-MOPGFXCFSA-N 1 2 369.852 2.518 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)nc1 ZINC000766036890 989326935 /nfs/dbraw/zinc/32/69/35/989326935.db2.gz GKTXNAGTKDPKTR-MOPGFXCFSA-N 1 2 369.852 2.518 20 30 FFEDLO COc1ccc(CNC(=S)NN=C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000915945811 989712712 /nfs/dbraw/zinc/71/27/12/989712712.db2.gz WPJMZMUJHZIHBU-UHFFFAOYSA-N 1 2 369.494 2.711 20 30 FFEDLO CCN(C(=O)[C@H]1CC[C@@H](C)O1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033957032 989854381 /nfs/dbraw/zinc/85/43/81/989854381.db2.gz JCRAINPRYUSWSI-MDASCCDHSA-N 1 2 359.445 2.688 20 30 FFEDLO CCN(C(=O)[C@H]1CC[C@@H](C)O1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033957032 989854390 /nfs/dbraw/zinc/85/43/90/989854390.db2.gz JCRAINPRYUSWSI-MDASCCDHSA-N 1 2 359.445 2.688 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000994285147 989896841 /nfs/dbraw/zinc/89/68/41/989896841.db2.gz WWTJJMZDGNYJNS-ZOCZFRKYSA-N 1 2 368.481 2.761 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cc(C)on2)C1 ZINC001034435411 990079163 /nfs/dbraw/zinc/07/91/63/990079163.db2.gz HOYCKYGCWQXUCM-WDSOQIARSA-N 1 2 361.486 2.825 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cc(C)on2)C1 ZINC001034435411 990079174 /nfs/dbraw/zinc/07/91/74/990079174.db2.gz HOYCKYGCWQXUCM-WDSOQIARSA-N 1 2 361.486 2.825 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC1(C)CCCC1 ZINC001212223100 990133698 /nfs/dbraw/zinc/13/36/98/990133698.db2.gz HJEDNLSVDDHARY-RTBURBONSA-N 1 2 355.482 2.844 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC1(C)CCCC1 ZINC001212223100 990133702 /nfs/dbraw/zinc/13/37/02/990133702.db2.gz HJEDNLSVDDHARY-RTBURBONSA-N 1 2 355.482 2.844 20 30 FFEDLO CC/C(C)=C/C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001212234210 990415408 /nfs/dbraw/zinc/41/54/08/990415408.db2.gz QUPIAAMYBPSBBU-JIEALELQSA-N 1 2 360.885 2.863 20 30 FFEDLO CC/C(C)=C/C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001212234210 990415413 /nfs/dbraw/zinc/41/54/13/990415413.db2.gz QUPIAAMYBPSBBU-JIEALELQSA-N 1 2 360.885 2.863 20 30 FFEDLO N#Cc1ccc(O[C@@H]2C[NH+]3CCC2CC3)c(I)c1 ZINC001229906134 990454876 /nfs/dbraw/zinc/45/48/76/990454876.db2.gz OZHMJYFQZCFRLD-CQSZACIVSA-N 1 2 354.191 2.636 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000508155968 990663929 /nfs/dbraw/zinc/66/39/29/990663929.db2.gz CKSNDJPXBIDZJP-NSHDSACASA-N 1 2 363.343 2.725 20 30 FFEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)c1 ZINC001031685158 990984688 /nfs/dbraw/zinc/98/46/88/990984688.db2.gz PWMKZNSXUPMIOF-DKSSEZFCSA-N 1 2 353.441 2.848 20 30 FFEDLO C#CCN(C(=O)[C@@H]1CCO[C@H]1C=C)C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC001483987179 991304038 /nfs/dbraw/zinc/30/40/38/991304038.db2.gz GYCSKILOBOOULR-KSUAYFRJSA-N 1 2 371.308 2.823 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001063233391 991405183 /nfs/dbraw/zinc/40/51/83/991405183.db2.gz NPURXUNXLZNKBA-KSZLIROESA-N 1 2 370.497 2.729 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1coc(C)n1 ZINC001089699220 991422312 /nfs/dbraw/zinc/42/23/12/991422312.db2.gz ISFYZRYGJBVMNZ-KURKYZTESA-N 1 2 361.486 2.681 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1coc(C)n1 ZINC001089699220 991422314 /nfs/dbraw/zinc/42/23/14/991422314.db2.gz ISFYZRYGJBVMNZ-KURKYZTESA-N 1 2 361.486 2.681 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cscn1 ZINC001089698971 991422490 /nfs/dbraw/zinc/42/24/90/991422490.db2.gz GWWQVDCOPKYPDK-BBWFWOEESA-N 1 2 363.527 2.841 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cscn1 ZINC001089698971 991422496 /nfs/dbraw/zinc/42/24/96/991422496.db2.gz GWWQVDCOPKYPDK-BBWFWOEESA-N 1 2 363.527 2.841 20 30 FFEDLO COCC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CCOCC1 ZINC000879710300 1015649690 /nfs/dbraw/zinc/64/96/90/1015649690.db2.gz UDIDHSQFNOOSRD-OAHLLOKOSA-N 1 2 373.478 2.600 20 30 FFEDLO COCC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CCOCC1 ZINC000879710300 1015649694 /nfs/dbraw/zinc/64/96/94/1015649694.db2.gz UDIDHSQFNOOSRD-OAHLLOKOSA-N 1 2 373.478 2.600 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212321252 991673855 /nfs/dbraw/zinc/67/38/55/991673855.db2.gz YQVLEIWLSRWZHU-WOJBJXKFSA-N 1 2 353.466 2.642 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212321252 991673861 /nfs/dbraw/zinc/67/38/61/991673861.db2.gz YQVLEIWLSRWZHU-WOJBJXKFSA-N 1 2 353.466 2.642 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1OC ZINC001212324992 991683592 /nfs/dbraw/zinc/68/35/92/991683592.db2.gz NCMZHOZSVRYFEL-IAGOWNOFSA-N 1 2 352.425 2.883 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1OC ZINC001212324992 991683595 /nfs/dbraw/zinc/68/35/95/991683595.db2.gz NCMZHOZSVRYFEL-IAGOWNOFSA-N 1 2 352.425 2.883 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]21 ZINC001090321006 991710266 /nfs/dbraw/zinc/71/02/66/991710266.db2.gz RONQEYZWVGLOQB-IXDOHACOSA-N 1 2 358.486 2.537 20 30 FFEDLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)n1C ZINC001079424661 992087968 /nfs/dbraw/zinc/08/79/68/992087968.db2.gz HHXPYGFWSSRWPN-FZKQIMNGSA-N 1 2 354.429 2.595 20 30 FFEDLO Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)n1C ZINC001079424661 992087974 /nfs/dbraw/zinc/08/79/74/992087974.db2.gz HHXPYGFWSSRWPN-FZKQIMNGSA-N 1 2 354.429 2.595 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)c1cncs1 ZINC001079462720 992128715 /nfs/dbraw/zinc/12/87/15/992128715.db2.gz PVVOOZPERCVIFE-CZUORRHYSA-N 1 2 359.882 2.898 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)c1cncs1 ZINC001079462720 992128724 /nfs/dbraw/zinc/12/87/24/992128724.db2.gz PVVOOZPERCVIFE-CZUORRHYSA-N 1 2 359.882 2.898 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C1=COCCC1 ZINC001079476220 992139951 /nfs/dbraw/zinc/13/99/51/992139951.db2.gz VEAGETDLHHJTAC-DNVCBOLYSA-N 1 2 358.869 2.822 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C1=COCCC1 ZINC001079476220 992139960 /nfs/dbraw/zinc/13/99/60/992139960.db2.gz VEAGETDLHHJTAC-DNVCBOLYSA-N 1 2 358.869 2.822 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1ccnc(F)c1 ZINC001079480351 992144188 /nfs/dbraw/zinc/14/41/88/992144188.db2.gz OHUSBACLPPSNPQ-RDTXWAMCSA-N 1 2 371.843 2.976 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1ccnc(F)c1 ZINC001079480351 992144189 /nfs/dbraw/zinc/14/41/89/992144189.db2.gz OHUSBACLPPSNPQ-RDTXWAMCSA-N 1 2 371.843 2.976 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCC[C@@H](N(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000967573615 1015695626 /nfs/dbraw/zinc/69/56/26/1015695626.db2.gz BENBSWSWKNNNJL-BRWVUGGUSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCC[C@@H](N(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000967573615 1015695633 /nfs/dbraw/zinc/69/56/33/1015695633.db2.gz BENBSWSWKNNNJL-BRWVUGGUSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC(C)C)c2CC)C1 ZINC001079688716 992316426 /nfs/dbraw/zinc/31/64/26/992316426.db2.gz XTBPIRFJSCAWDS-CZUORRHYSA-N 1 2 352.910 2.904 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC(C)C)c2CC)C1 ZINC001079688716 992316437 /nfs/dbraw/zinc/31/64/37/992316437.db2.gz XTBPIRFJSCAWDS-CZUORRHYSA-N 1 2 352.910 2.904 20 30 FFEDLO CC(C)n1nccc1C(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001079768811 992411656 /nfs/dbraw/zinc/41/16/56/992411656.db2.gz NTDNDTHRQHEHJZ-RDTXWAMCSA-N 1 2 369.444 2.725 20 30 FFEDLO CC(C)n1nccc1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001079768811 992411660 /nfs/dbraw/zinc/41/16/60/992411660.db2.gz NTDNDTHRQHEHJZ-RDTXWAMCSA-N 1 2 369.444 2.725 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)OCCCO3)C1 ZINC001079849916 992531518 /nfs/dbraw/zinc/53/15/18/992531518.db2.gz CGOCKHYKVRAELY-IUODEOHRSA-N 1 2 350.846 2.651 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)OCCCO3)C1 ZINC001079849916 992531525 /nfs/dbraw/zinc/53/15/25/992531525.db2.gz CGOCKHYKVRAELY-IUODEOHRSA-N 1 2 350.846 2.651 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1ocnc1C1CC1 ZINC001080438100 993056422 /nfs/dbraw/zinc/05/64/22/993056422.db2.gz FQFNBMJXGQSURE-SJKOYZFVSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1ocnc1C1CC1 ZINC001080438100 993056425 /nfs/dbraw/zinc/05/64/25/993056425.db2.gz FQFNBMJXGQSURE-SJKOYZFVSA-N 1 2 368.412 2.813 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1C ZINC001080471238 993075952 /nfs/dbraw/zinc/07/59/52/993075952.db2.gz WOKVEFLVCYMODQ-XLNTUCKNSA-N 1 2 372.513 2.526 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1C ZINC001080471238 993075955 /nfs/dbraw/zinc/07/59/55/993075955.db2.gz WOKVEFLVCYMODQ-XLNTUCKNSA-N 1 2 372.513 2.526 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1cc(C2CC2)no1 ZINC001080535691 993147082 /nfs/dbraw/zinc/14/70/82/993147082.db2.gz YYJFDEYXEIVKSG-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1cc(C2CC2)no1 ZINC001080535691 993147086 /nfs/dbraw/zinc/14/70/86/993147086.db2.gz YYJFDEYXEIVKSG-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)c1cccnc1 ZINC001080800389 993362955 /nfs/dbraw/zinc/36/29/55/993362955.db2.gz OXRMOHXCKUGAMJ-STXHMFSFSA-N 1 2 366.440 2.833 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)c1cccnc1 ZINC001080800389 993362958 /nfs/dbraw/zinc/36/29/58/993362958.db2.gz OXRMOHXCKUGAMJ-STXHMFSFSA-N 1 2 366.440 2.833 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001080851583 993413950 /nfs/dbraw/zinc/41/39/50/993413950.db2.gz QOGQLJREMAHYND-DNVCBOLYSA-N 1 2 367.880 2.896 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001080851583 993413954 /nfs/dbraw/zinc/41/39/54/993413954.db2.gz QOGQLJREMAHYND-DNVCBOLYSA-N 1 2 367.880 2.896 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001080929467 993485157 /nfs/dbraw/zinc/48/51/57/993485157.db2.gz GFKJITKIFAPYJE-KZULUSFZSA-N 1 2 370.428 2.807 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001080929467 993485164 /nfs/dbraw/zinc/48/51/64/993485164.db2.gz GFKJITKIFAPYJE-KZULUSFZSA-N 1 2 370.428 2.807 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001081699632 993948609 /nfs/dbraw/zinc/94/86/09/993948609.db2.gz GWJKVJUGTOSWBT-WKBVASEUSA-N 1 2 371.506 2.537 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001081699632 993948614 /nfs/dbraw/zinc/94/86/14/993948614.db2.gz GWJKVJUGTOSWBT-WKBVASEUSA-N 1 2 371.506 2.537 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H](C)c1ccsc1 ZINC001082124914 994178889 /nfs/dbraw/zinc/17/88/89/994178889.db2.gz AYHINEOYQGRFEQ-NSISKUIASA-N 1 2 368.502 2.719 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H](C)c1ccsc1 ZINC001082124914 994178895 /nfs/dbraw/zinc/17/88/95/994178895.db2.gz AYHINEOYQGRFEQ-NSISKUIASA-N 1 2 368.502 2.719 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H](C)c1ccsc1 ZINC001082124915 994179273 /nfs/dbraw/zinc/17/92/73/994179273.db2.gz AYHINEOYQGRFEQ-PWIZWCRZSA-N 1 2 368.502 2.719 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H](C)c1ccsc1 ZINC001082124915 994179283 /nfs/dbraw/zinc/17/92/83/994179283.db2.gz AYHINEOYQGRFEQ-PWIZWCRZSA-N 1 2 368.502 2.719 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001082114400 994196943 /nfs/dbraw/zinc/19/69/43/994196943.db2.gz JTBRFUYTRQAPBY-RYTRXMBJSA-N 1 2 370.468 2.573 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001082114400 994196948 /nfs/dbraw/zinc/19/69/48/994196948.db2.gz JTBRFUYTRQAPBY-RYTRXMBJSA-N 1 2 370.468 2.573 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccc(F)cc1C ZINC001082335827 994407227 /nfs/dbraw/zinc/40/72/27/994407227.db2.gz IBQDEPVTKFGZCT-NHCUHLMSSA-N 1 2 366.436 2.615 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccc(F)cc1C ZINC001082335827 994407232 /nfs/dbraw/zinc/40/72/32/994407232.db2.gz IBQDEPVTKFGZCT-NHCUHLMSSA-N 1 2 366.436 2.615 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1)CO2 ZINC001053836921 1015889001 /nfs/dbraw/zinc/88/90/01/1015889001.db2.gz VBKMEGOABZRPBB-BJLQDIEVSA-N 1 2 370.493 2.724 20 30 FFEDLO COc1cc(C)nc(N=NC2CCN(c3ccc([NH+](C)C)cc3)CC2)n1 ZINC000747634462 994935735 /nfs/dbraw/zinc/93/57/35/994935735.db2.gz ISUJBABQUCYDKH-UHFFFAOYSA-N 1 2 354.458 2.928 20 30 FFEDLO N#Cc1ccccc1OCCOC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000811328897 995106191 /nfs/dbraw/zinc/10/61/91/995106191.db2.gz YHFRKTJLWVQMPS-UHFFFAOYSA-N 1 2 361.401 2.968 20 30 FFEDLO C#C[C@@](C)(CC)Nc1[nH+]cnc2c1ccn2S(=O)(=O)c1ccccc1 ZINC001158738188 995186835 /nfs/dbraw/zinc/18/68/35/995186835.db2.gz MKNKLGCAIVQOSZ-SFHVURJKSA-N 1 2 354.435 2.882 20 30 FFEDLO CCOC(=O)c1ccc(N[NH+]=Cc2cnc(N3CCOCC3)s2)cc1C ZINC000812228385 995377843 /nfs/dbraw/zinc/37/78/43/995377843.db2.gz NMKYHGWIZSFLFF-UHFFFAOYSA-N 1 2 374.466 2.911 20 30 FFEDLO COc1ccc(-c2noc(CO[NH+]=C(N)c3ccc(F)cc3)n2)c(OC)c1 ZINC000727488468 995846934 /nfs/dbraw/zinc/84/69/34/995846934.db2.gz SXGZYEHRPBEPNP-UHFFFAOYSA-N 1 2 372.356 2.730 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@H](F)CC)C[C@@H]32)cc1 ZINC001083123659 996089091 /nfs/dbraw/zinc/08/90/91/996089091.db2.gz MUCLXDFVJXDPFB-NZSAHSFTSA-N 1 2 362.445 2.525 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H](F)CC)C[C@@H]32)cc1 ZINC001083123659 996089097 /nfs/dbraw/zinc/08/90/97/996089097.db2.gz MUCLXDFVJXDPFB-NZSAHSFTSA-N 1 2 362.445 2.525 20 30 FFEDLO COc1ccc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)c(C#N)c1 ZINC001212785159 1016002966 /nfs/dbraw/zinc/00/29/66/1016002966.db2.gz FQANSILAUHLTLD-UHFFFAOYSA-N 1 2 364.449 2.831 20 30 FFEDLO CC1(C)CCC[C@H](CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001083955685 996173319 /nfs/dbraw/zinc/17/33/19/996173319.db2.gz NGEFWOPHWHATJD-NJYVYQBISA-N 1 2 368.521 2.806 20 30 FFEDLO CC1(C)CCC[C@H](CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001083955685 996173327 /nfs/dbraw/zinc/17/33/27/996173327.db2.gz NGEFWOPHWHATJD-NJYVYQBISA-N 1 2 368.521 2.806 20 30 FFEDLO CC1(C)CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CC#Cc4ccccc4)C[C@@H]32)C1 ZINC001083183961 996173588 /nfs/dbraw/zinc/17/35/88/996173588.db2.gz HHIPWCNACVFQEO-PCCBWWKXSA-N 1 2 366.505 2.776 20 30 FFEDLO CC1(C)CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC#Cc4ccccc4)C[C@@H]32)C1 ZINC001083183961 996173590 /nfs/dbraw/zinc/17/35/90/996173590.db2.gz HHIPWCNACVFQEO-PCCBWWKXSA-N 1 2 366.505 2.776 20 30 FFEDLO CC1(C)CCC[C@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@@H]2O)C1 ZINC001083955401 996179510 /nfs/dbraw/zinc/17/95/10/996179510.db2.gz BTWQACNDKKHELR-AHRSYUTCSA-N 1 2 369.509 2.826 20 30 FFEDLO CC1(C)CCC[C@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@@H]2O)C1 ZINC001083955401 996179514 /nfs/dbraw/zinc/17/95/14/996179514.db2.gz BTWQACNDKKHELR-AHRSYUTCSA-N 1 2 369.509 2.826 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[C@@H]4CCCO4)[C@@H]3C2)c(F)c1 ZINC001084204097 996339500 /nfs/dbraw/zinc/33/95/00/996339500.db2.gz LWGWJLJPGDQGIO-WSTZPKSXSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[C@@H]4CCCO4)[C@@H]3C2)c(F)c1 ZINC001084204097 996339505 /nfs/dbraw/zinc/33/95/05/996339505.db2.gz LWGWJLJPGDQGIO-WSTZPKSXSA-N 1 2 371.456 2.689 20 30 FFEDLO Cc1ccc(CC(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)o1 ZINC001084289971 996396825 /nfs/dbraw/zinc/39/68/25/996396825.db2.gz FIAABGJCXKTYLH-OXQOHEQNSA-N 1 2 367.424 2.874 20 30 FFEDLO Cc1ccc(CC(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)o1 ZINC001084289971 996396832 /nfs/dbraw/zinc/39/68/32/996396832.db2.gz FIAABGJCXKTYLH-OXQOHEQNSA-N 1 2 367.424 2.874 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccc(F)cn4)[C@@H]3C2)s1 ZINC001084295999 996401362 /nfs/dbraw/zinc/40/13/62/996401362.db2.gz VNNQAIUHLVHIQC-SJKOYZFVSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(F)cn4)[C@@H]3C2)s1 ZINC001084295999 996401366 /nfs/dbraw/zinc/40/13/66/996401366.db2.gz VNNQAIUHLVHIQC-SJKOYZFVSA-N 1 2 356.426 2.500 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnn3-c3ccccc3)[C@@H]2C1 ZINC001084457127 996568134 /nfs/dbraw/zinc/56/81/34/996568134.db2.gz FAKRFRZYXZSSFO-CRAIPNDOSA-N 1 2 356.857 2.771 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccnn3-c3ccccc3)[C@@H]2C1 ZINC001084457127 996568136 /nfs/dbraw/zinc/56/81/36/996568136.db2.gz FAKRFRZYXZSSFO-CRAIPNDOSA-N 1 2 356.857 2.771 20 30 FFEDLO Cc1cc(C)nc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)c1 ZINC001084472541 996583584 /nfs/dbraw/zinc/58/35/84/996583584.db2.gz MXIXGXAMNLHBFN-IFMALSPDSA-N 1 2 359.473 2.896 20 30 FFEDLO Cc1cc(C)nc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)c1 ZINC001084472541 996583587 /nfs/dbraw/zinc/58/35/87/996583587.db2.gz MXIXGXAMNLHBFN-IFMALSPDSA-N 1 2 359.473 2.896 20 30 FFEDLO Cc1noc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)c1C ZINC001084437418 996590003 /nfs/dbraw/zinc/59/00/03/996590003.db2.gz RYLWRGVYTJRESC-QZTJIDSGSA-N 1 2 350.422 2.510 20 30 FFEDLO Cc1noc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)c1C ZINC001084437418 996590007 /nfs/dbraw/zinc/59/00/07/996590007.db2.gz RYLWRGVYTJRESC-QZTJIDSGSA-N 1 2 350.422 2.510 20 30 FFEDLO CO[C@H](C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21)C1CCC1 ZINC001084552823 996671923 /nfs/dbraw/zinc/67/19/23/996671923.db2.gz QWTBMYJFKRELLI-NRSPTQNISA-N 1 2 370.468 2.525 20 30 FFEDLO CO[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21)C1CCC1 ZINC001084552823 996671925 /nfs/dbraw/zinc/67/19/25/996671925.db2.gz QWTBMYJFKRELLI-NRSPTQNISA-N 1 2 370.468 2.525 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CCN1Cc1[nH+]c2ccccn2c1C ZINC001137272501 1016053994 /nfs/dbraw/zinc/05/39/94/1016053994.db2.gz XCJXZMDBLJQCEM-SFHVURJKSA-N 1 2 351.454 2.678 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3C)C[C@H]21 ZINC001084577813 996691764 /nfs/dbraw/zinc/69/17/64/996691764.db2.gz YHHBHCJOOZHHND-SJLPKXTDSA-N 1 2 355.482 2.678 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccccc3C)C[C@H]21 ZINC001084577813 996691768 /nfs/dbraw/zinc/69/17/68/996691768.db2.gz YHHBHCJOOZHHND-SJLPKXTDSA-N 1 2 355.482 2.678 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3cccc(CC)c3)C[C@H]21 ZINC001084574642 996703122 /nfs/dbraw/zinc/70/31/22/996703122.db2.gz GOZDKIAFSWHHFD-IEBWSBKVSA-N 1 2 369.509 2.932 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3cccc(CC)c3)C[C@H]21 ZINC001084574642 996703124 /nfs/dbraw/zinc/70/31/24/996703124.db2.gz GOZDKIAFSWHHFD-IEBWSBKVSA-N 1 2 369.509 2.932 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)cs1 ZINC001084605184 996713009 /nfs/dbraw/zinc/71/30/09/996713009.db2.gz DBKDLDFDMYRZEA-RDTXWAMCSA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)cs1 ZINC001084605184 996713011 /nfs/dbraw/zinc/71/30/11/996713011.db2.gz DBKDLDFDMYRZEA-RDTXWAMCSA-N 1 2 370.453 2.809 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+]([C@H](C)C(=O)Nc4ccccc4)C[C@H]32)C1 ZINC001084646626 996758531 /nfs/dbraw/zinc/75/85/31/996758531.db2.gz OYDXFMKYGJADGK-ZHALLVOQSA-N 1 2 367.493 2.903 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+]([C@H](C)C(=O)Nc4ccccc4)C[C@H]32)C1 ZINC001084646626 996758535 /nfs/dbraw/zinc/75/85/35/996758535.db2.gz OYDXFMKYGJADGK-ZHALLVOQSA-N 1 2 367.493 2.903 20 30 FFEDLO COCCOc1cc2c(cc1C=NNc1cc[nH+]c3ccccc13)OCO2 ZINC000730146089 996892177 /nfs/dbraw/zinc/89/21/77/996892177.db2.gz FITUNRCBWYZMKH-UHFFFAOYSA-N 1 2 365.389 2.857 20 30 FFEDLO COC(=O)N1CCN(c2ccc(NC3CCC(C)(C#N)CC3)c[nH+]2)CC1 ZINC000824439442 996939650 /nfs/dbraw/zinc/93/96/50/996939650.db2.gz JTRRSEDMFPPJJM-UHFFFAOYSA-N 1 2 357.458 2.854 20 30 FFEDLO CC(C)c1cc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)on1 ZINC001084701290 996983983 /nfs/dbraw/zinc/98/39/83/996983983.db2.gz WNFCOFKQJKRSIA-UYAOXDASSA-N 1 2 363.461 2.996 20 30 FFEDLO CC(C)c1cc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)on1 ZINC001084701290 996983995 /nfs/dbraw/zinc/98/39/95/996983995.db2.gz WNFCOFKQJKRSIA-UYAOXDASSA-N 1 2 363.461 2.996 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cncc(F)c3)C[C@H]21 ZINC001084712502 997031713 /nfs/dbraw/zinc/03/17/13/997031713.db2.gz KMVDANCIGMFIEK-MDNKFWRPSA-N 1 2 373.472 2.625 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3cncc(F)c3)C[C@H]21 ZINC001084712502 997031725 /nfs/dbraw/zinc/03/17/25/997031725.db2.gz KMVDANCIGMFIEK-MDNKFWRPSA-N 1 2 373.472 2.625 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c([nH]c3=O)CCCC4)[C@@H]2C1 ZINC001084734634 997132999 /nfs/dbraw/zinc/13/29/99/997132999.db2.gz YRVHOJVATDXJCW-RHSMWYFYSA-N 1 2 361.873 2.565 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c([nH]c3=O)CCCC4)[C@@H]2C1 ZINC001084734634 997133006 /nfs/dbraw/zinc/13/30/06/997133006.db2.gz YRVHOJVATDXJCW-RHSMWYFYSA-N 1 2 361.873 2.565 20 30 FFEDLO Cc1c[nH]cc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084829149 997570581 /nfs/dbraw/zinc/57/05/81/997570581.db2.gz REQDKAPWFHOJCT-VQIMIIECSA-N 1 2 352.413 2.680 20 30 FFEDLO Cc1c[nH]cc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084829149 997570588 /nfs/dbraw/zinc/57/05/88/997570588.db2.gz REQDKAPWFHOJCT-VQIMIIECSA-N 1 2 352.413 2.680 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)[C@@H]2C1 ZINC001084861491 997707222 /nfs/dbraw/zinc/70/72/22/997707222.db2.gz QYBBMZPVNJSQHR-RYLNNALFSA-N 1 2 361.489 2.883 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)[C@@H]2C1 ZINC001084861491 997707233 /nfs/dbraw/zinc/70/72/33/997707233.db2.gz QYBBMZPVNJSQHR-RYLNNALFSA-N 1 2 361.489 2.883 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001056452087 1016150449 /nfs/dbraw/zinc/15/04/49/1016150449.db2.gz DIXGJLBYDWRLMB-LMSBXDPUSA-N 1 2 370.497 2.707 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001056452087 1016150454 /nfs/dbraw/zinc/15/04/54/1016150454.db2.gz DIXGJLBYDWRLMB-LMSBXDPUSA-N 1 2 370.497 2.707 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccn3)C[C@@H]21 ZINC001084879647 997785894 /nfs/dbraw/zinc/78/58/94/997785894.db2.gz HPKFFALVPPLVNK-HIFRSBDPSA-N 1 2 350.260 2.527 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccn3)C[C@@H]21 ZINC001084879647 997785903 /nfs/dbraw/zinc/78/59/03/997785903.db2.gz HPKFFALVPPLVNK-HIFRSBDPSA-N 1 2 350.260 2.527 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1OC ZINC001090930437 997807682 /nfs/dbraw/zinc/80/76/82/997807682.db2.gz JHGHNGDAKZVSLR-IAOVAPTHSA-N 1 2 358.486 2.585 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1OC ZINC001090932636 997812997 /nfs/dbraw/zinc/81/29/97/997812997.db2.gz LPXDKEFIQLKTKV-HZPDHXFCSA-N 1 2 360.502 2.831 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1OC ZINC001090932785 997816736 /nfs/dbraw/zinc/81/67/36/997816736.db2.gz RZNRDJRNWTUUSH-DJIMGWMZSA-N 1 2 358.486 2.585 20 30 FFEDLO O=C(c1cn[nH]c1)N1CC[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC001084896552 997943547 /nfs/dbraw/zinc/94/35/47/997943547.db2.gz HFPCFGXUELXHMT-APWZRJJASA-N 1 2 368.868 2.651 20 30 FFEDLO O=C(c1cn[nH]c1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC001084896552 997943556 /nfs/dbraw/zinc/94/35/56/997943556.db2.gz HFPCFGXUELXHMT-APWZRJJASA-N 1 2 368.868 2.651 20 30 FFEDLO CCC(CC)n1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H](C)C#N)C[C@@H]32)n1 ZINC001084907029 997989370 /nfs/dbraw/zinc/98/93/70/997989370.db2.gz RIRPFIRGBWMGGS-FCEWJHQRSA-N 1 2 357.502 2.827 20 30 FFEDLO CCC(CC)n1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H](C)C#N)C[C@@H]32)n1 ZINC001084907029 997989372 /nfs/dbraw/zinc/98/93/72/997989372.db2.gz RIRPFIRGBWMGGS-FCEWJHQRSA-N 1 2 357.502 2.827 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3[nH]cnc3C(F)(F)F)C[C@@H]21 ZINC001084959318 998366235 /nfs/dbraw/zinc/36/62/35/998366235.db2.gz NAACIOGRDSMXKY-MNOVXSKESA-N 1 2 362.783 2.717 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3[nH]cnc3C(F)(F)F)C[C@@H]21 ZINC001084959318 998366246 /nfs/dbraw/zinc/36/62/46/998366246.db2.gz NAACIOGRDSMXKY-MNOVXSKESA-N 1 2 362.783 2.717 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3nc[nH]c3C(F)(F)F)C[C@@H]21 ZINC001084959318 998366251 /nfs/dbraw/zinc/36/62/51/998366251.db2.gz NAACIOGRDSMXKY-MNOVXSKESA-N 1 2 362.783 2.717 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3nc[nH]c3C(F)(F)F)C[C@@H]21 ZINC001084959318 998366260 /nfs/dbraw/zinc/36/62/60/998366260.db2.gz NAACIOGRDSMXKY-MNOVXSKESA-N 1 2 362.783 2.717 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049731090 1016209815 /nfs/dbraw/zinc/20/98/15/1016209815.db2.gz XDLWNJHCCBRTDU-YGBSJELFSA-N 1 2 371.456 2.688 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049731090 1016209820 /nfs/dbraw/zinc/20/98/20/1016209820.db2.gz XDLWNJHCCBRTDU-YGBSJELFSA-N 1 2 371.456 2.688 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccsn3)C[C@@H]21 ZINC001084967908 998411882 /nfs/dbraw/zinc/41/18/82/998411882.db2.gz DHSSYOBTTXYNLO-YPMHNXCESA-N 1 2 356.289 2.588 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccsn3)C[C@@H]21 ZINC001084967908 998411888 /nfs/dbraw/zinc/41/18/88/998411888.db2.gz DHSSYOBTTXYNLO-YPMHNXCESA-N 1 2 356.289 2.588 20 30 FFEDLO C[C@H](CC(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccccc1)n1cc[nH+]c1 ZINC000845278875 998462293 /nfs/dbraw/zinc/46/22/93/998462293.db2.gz WUEAZMDNIYLMOF-CVEARBPZSA-N 1 2 354.410 2.713 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)COC(=O)C[C@@H](C)n2cc[nH+]c2)c1C ZINC000845280801 998462305 /nfs/dbraw/zinc/46/23/05/998462305.db2.gz GIORJMUHANYFFV-MRXNPFEDSA-N 1 2 368.437 2.941 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1O ZINC001091098974 998554143 /nfs/dbraw/zinc/55/41/43/998554143.db2.gz VWHIRCSJTLYFRX-MSOLQXFVSA-N 1 2 362.518 2.818 20 30 FFEDLO C=CCOC(=O)N1CCC[C@]2(CCN(Cc3[nH+]cn4ccccc34)C2)C1 ZINC001144610728 998679251 /nfs/dbraw/zinc/67/92/51/998679251.db2.gz BXZUVMDMTBBQQO-HXUWFJFHSA-N 1 2 354.454 2.945 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ncccc3F)C[C@@H]21 ZINC001085062681 998814919 /nfs/dbraw/zinc/81/49/19/998814919.db2.gz NDFGMULDUKUUPX-OCCSQVGLSA-N 1 2 368.250 2.666 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ncccc3F)C[C@@H]21 ZINC001085062681 998814920 /nfs/dbraw/zinc/81/49/20/998814920.db2.gz NDFGMULDUKUUPX-OCCSQVGLSA-N 1 2 368.250 2.666 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4csc(C)n4)[C@H]3C2)nc1 ZINC001085078173 998862732 /nfs/dbraw/zinc/86/27/32/998862732.db2.gz GJYSTEPDBQWQSC-APWZRJJASA-N 1 2 366.490 2.564 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](Cc4csc(C)n4)[C@H]3C2)nc1 ZINC001085078173 998862737 /nfs/dbraw/zinc/86/27/37/998862737.db2.gz GJYSTEPDBQWQSC-APWZRJJASA-N 1 2 366.490 2.564 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001065498067 999112985 /nfs/dbraw/zinc/11/29/85/999112985.db2.gz LHKPKDGUHJTNJQ-XKGZKEIXSA-N 1 2 358.486 2.807 20 30 FFEDLO N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1[nH]nc2c1CCC2 ZINC001085256227 999265043 /nfs/dbraw/zinc/26/50/43/999265043.db2.gz TXJAJGJKCIRCLO-RTBURBONSA-N 1 2 363.465 2.601 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000739911951 999657502 /nfs/dbraw/zinc/65/75/02/999657502.db2.gz DCUZTJXRKUPLEE-KFKAGJAMSA-N 1 2 371.481 2.789 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000739911951 999657504 /nfs/dbraw/zinc/65/75/04/999657504.db2.gz DCUZTJXRKUPLEE-KFKAGJAMSA-N 1 2 371.481 2.789 20 30 FFEDLO N#Cc1cc(F)ccc1COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741386159 999725910 /nfs/dbraw/zinc/72/59/10/999725910.db2.gz VGYVVTMOFNDESU-IBGZPJMESA-N 1 2 354.381 2.642 20 30 FFEDLO N#Cc1cc(F)ccc1COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741386159 999725911 /nfs/dbraw/zinc/72/59/11/999725911.db2.gz VGYVVTMOFNDESU-IBGZPJMESA-N 1 2 354.381 2.642 20 30 FFEDLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000742405856 999772971 /nfs/dbraw/zinc/77/29/71/999772971.db2.gz PMZCUHGOHHBVQB-INIZCTEOSA-N 1 2 358.461 2.610 20 30 FFEDLO CCOC(=O)N(C)C1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000743845716 999834404 /nfs/dbraw/zinc/83/44/04/999834404.db2.gz JHNGZVQTZFZGCY-UHFFFAOYSA-N 1 2 369.425 2.661 20 30 FFEDLO CC[N@H+](C)[C@H](C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000745099243 999892990 /nfs/dbraw/zinc/89/29/90/999892990.db2.gz XWFBTJGNWPGUEA-OXFYSEKESA-N 1 2 359.470 2.666 20 30 FFEDLO CC[N@@H+](C)[C@H](C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000745099243 999892992 /nfs/dbraw/zinc/89/29/92/999892992.db2.gz XWFBTJGNWPGUEA-OXFYSEKESA-N 1 2 359.470 2.666 20 30 FFEDLO C=CCOc1ccc(/C=C\C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1OC ZINC000804335422 1000071989 /nfs/dbraw/zinc/07/19/89/1000071989.db2.gz YYPCKSMXHJULHS-GEZBDVBVSA-N 1 2 353.422 2.601 20 30 FFEDLO C=CCOc1ccc(/C=C/C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000767416201 1000112841 /nfs/dbraw/zinc/11/28/41/1000112841.db2.gz YNXSYXOQGQVEMY-KFROPYDSSA-N 1 2 373.449 2.680 20 30 FFEDLO C=CCOc1ccc(/C=C/C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000767416201 1000112842 /nfs/dbraw/zinc/11/28/42/1000112842.db2.gz YNXSYXOQGQVEMY-KFROPYDSSA-N 1 2 373.449 2.680 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CCCC2)C3)ccc1F ZINC001108992685 1000145357 /nfs/dbraw/zinc/14/53/57/1000145357.db2.gz ALBLGNGTPFSCMZ-UXPWSPDFSA-N 1 2 371.456 2.878 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CCCC2)C3)ccc1F ZINC001108992685 1000145358 /nfs/dbraw/zinc/14/53/58/1000145358.db2.gz ALBLGNGTPFSCMZ-UXPWSPDFSA-N 1 2 371.456 2.878 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cc(C)ccc1C ZINC001109205591 1000185984 /nfs/dbraw/zinc/18/59/84/1000185984.db2.gz FKOGFXZGQKQUAH-HOJAQTOUSA-N 1 2 367.493 2.767 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cc(C)ccc1C ZINC001109205591 1000185986 /nfs/dbraw/zinc/18/59/86/1000185986.db2.gz FKOGFXZGQKQUAH-HOJAQTOUSA-N 1 2 367.493 2.767 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC001109204657 1000186136 /nfs/dbraw/zinc/18/61/36/1000186136.db2.gz UTWHPWSMTMAVTP-RNQOJCNYSA-N 1 2 367.493 2.847 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC001109204657 1000186139 /nfs/dbraw/zinc/18/61/39/1000186139.db2.gz UTWHPWSMTMAVTP-RNQOJCNYSA-N 1 2 367.493 2.847 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)C1CC1 ZINC001109226596 1000190609 /nfs/dbraw/zinc/19/06/09/1000190609.db2.gz WOQAELMNGIXBHI-FUMNGEBKSA-N 1 2 372.896 2.838 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)C1CC1 ZINC001109226596 1000190611 /nfs/dbraw/zinc/19/06/11/1000190611.db2.gz WOQAELMNGIXBHI-FUMNGEBKSA-N 1 2 372.896 2.838 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)/C=C(\C)CC)C3)c1 ZINC001109244890 1000199383 /nfs/dbraw/zinc/19/93/83/1000199383.db2.gz BDVQARGUSZNPJG-TXFXVWMISA-N 1 2 365.477 2.684 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)/C=C(\C)CC)C3)c1 ZINC001109244890 1000199384 /nfs/dbraw/zinc/19/93/84/1000199384.db2.gz BDVQARGUSZNPJG-TXFXVWMISA-N 1 2 365.477 2.684 20 30 FFEDLO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC2CC2)C3)ccc1Cl ZINC001109257850 1000203953 /nfs/dbraw/zinc/20/39/53/1000203953.db2.gz PRIGYBUUDMJCQF-NJAFHUGGSA-N 1 2 358.869 2.984 20 30 FFEDLO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC2CC2)C3)ccc1Cl ZINC001109257850 1000203954 /nfs/dbraw/zinc/20/39/54/1000203954.db2.gz PRIGYBUUDMJCQF-NJAFHUGGSA-N 1 2 358.869 2.984 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F)C(C)C ZINC001109266093 1000207108 /nfs/dbraw/zinc/20/71/08/1000207108.db2.gz MFLOKCRJADALFZ-BTHPGYMESA-N 1 2 373.472 2.980 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F)C(C)C ZINC001109266093 1000207112 /nfs/dbraw/zinc/20/71/12/1000207112.db2.gz MFLOKCRJADALFZ-BTHPGYMESA-N 1 2 373.472 2.980 20 30 FFEDLO CC[C@H]1CCCCN1C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109262243 1000219555 /nfs/dbraw/zinc/21/95/55/1000219555.db2.gz GEMGYOSPTKUDGH-RDGPPVDQSA-N 1 2 373.541 2.549 20 30 FFEDLO CC[C@H]1CCCCN1C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109262243 1000219560 /nfs/dbraw/zinc/21/95/60/1000219560.db2.gz GEMGYOSPTKUDGH-RDGPPVDQSA-N 1 2 373.541 2.549 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@H+]([C@H](C)Cc1cccc(C#N)c1)[C@@H]2C ZINC001171232398 1000373159 /nfs/dbraw/zinc/37/31/59/1000373159.db2.gz REVLTWVTOSOEPQ-HUUCEWRRSA-N 1 2 352.438 2.939 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@H](C)Cc1cccc(C#N)c1)[C@@H]2C ZINC001171232398 1000373167 /nfs/dbraw/zinc/37/31/67/1000373167.db2.gz REVLTWVTOSOEPQ-HUUCEWRRSA-N 1 2 352.438 2.939 20 30 FFEDLO N#Cc1ccc(OC2CCC(NC(=O)c3cccc4[nH+]ccn43)CC2)nc1 ZINC000768891174 1000375663 /nfs/dbraw/zinc/37/56/63/1000375663.db2.gz HTYLYHYFJOJLJG-UHFFFAOYSA-N 1 2 361.405 2.721 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC001091289629 1000376015 /nfs/dbraw/zinc/37/60/15/1000376015.db2.gz FRRHLKXOTKZCLL-ATZDWAIDSA-N 1 2 371.529 2.906 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001091289629 1000376018 /nfs/dbraw/zinc/37/60/18/1000376018.db2.gz FRRHLKXOTKZCLL-ATZDWAIDSA-N 1 2 371.529 2.906 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC001091291973 1000377964 /nfs/dbraw/zinc/37/79/64/1000377964.db2.gz VGCWFRMIWKGQNJ-QZTJIDSGSA-N 1 2 357.502 2.660 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001091291973 1000377967 /nfs/dbraw/zinc/37/79/67/1000377967.db2.gz VGCWFRMIWKGQNJ-QZTJIDSGSA-N 1 2 357.502 2.660 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)nn1 ZINC000846917401 1000477000 /nfs/dbraw/zinc/47/70/00/1000477000.db2.gz AZSRARFFUMZADK-RDJZCZTQSA-N 1 2 361.490 2.686 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)nn1 ZINC000846917401 1000477002 /nfs/dbraw/zinc/47/70/02/1000477002.db2.gz AZSRARFFUMZADK-RDJZCZTQSA-N 1 2 361.490 2.686 20 30 FFEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000846987519 1000505621 /nfs/dbraw/zinc/50/56/21/1000505621.db2.gz NRFWDSQXFPKSGN-QGZVFWFLSA-N 1 2 364.449 2.837 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001109563578 1000647071 /nfs/dbraw/zinc/64/70/71/1000647071.db2.gz ZPETUUSVBMHCGN-LXZJYRNTSA-N 1 2 361.461 2.671 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001109563578 1000647077 /nfs/dbraw/zinc/64/70/77/1000647077.db2.gz ZPETUUSVBMHCGN-LXZJYRNTSA-N 1 2 361.461 2.671 20 30 FFEDLO C[C@@H](NC(=O)C(=O)/C=C\c1ccc(F)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC001146577054 1000704488 /nfs/dbraw/zinc/70/44/88/1000704488.db2.gz WEHGWNSCYCHGEL-CXOKCQFOSA-N 1 2 374.456 2.558 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)C(C)C ZINC001109679311 1000853072 /nfs/dbraw/zinc/85/30/72/1000853072.db2.gz VRMNFMHSBBXSFK-VUHPKUFZSA-N 1 2 370.559 2.524 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)C(C)C ZINC001109679311 1000853079 /nfs/dbraw/zinc/85/30/79/1000853079.db2.gz VRMNFMHSBBXSFK-VUHPKUFZSA-N 1 2 370.559 2.524 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001109691816 1000863063 /nfs/dbraw/zinc/86/30/63/1000863063.db2.gz AGKVNFFESBUOTJ-IVAOSVALSA-N 1 2 372.484 2.960 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001109691816 1000863069 /nfs/dbraw/zinc/86/30/69/1000863069.db2.gz AGKVNFFESBUOTJ-IVAOSVALSA-N 1 2 372.484 2.960 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC001147283519 1000870293 /nfs/dbraw/zinc/87/02/93/1000870293.db2.gz MNAHHRLEMHYKCG-UHFFFAOYSA-N 1 2 363.417 2.511 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC001147283519 1000870301 /nfs/dbraw/zinc/87/03/01/1000870301.db2.gz MNAHHRLEMHYKCG-UHFFFAOYSA-N 1 2 363.417 2.511 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC)c1ccccc1 ZINC001111436335 1016459175 /nfs/dbraw/zinc/45/91/75/1016459175.db2.gz BVUUEZHKYIJJOH-WCIQWLHISA-N 1 2 369.509 2.594 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC)c1ccccc1 ZINC001111436335 1016459181 /nfs/dbraw/zinc/45/91/81/1016459181.db2.gz BVUUEZHKYIJJOH-WCIQWLHISA-N 1 2 369.509 2.594 20 30 FFEDLO COc1cc(N2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc[nH+]1 ZINC001148617819 1001182631 /nfs/dbraw/zinc/18/26/31/1001182631.db2.gz IHNXQPNPPDUGNI-HNNXBMFYSA-N 1 2 350.422 2.680 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001110005221 1001278208 /nfs/dbraw/zinc/27/82/08/1001278208.db2.gz MRVFHSLPDFFQFC-SCTDSRPQSA-N 1 2 370.497 2.950 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C1CCCC1 ZINC001110046180 1001373380 /nfs/dbraw/zinc/37/33/80/1001373380.db2.gz RMHMXJFZILKXFZ-ANULTFPQSA-N 1 2 367.493 2.985 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C1CCCC1 ZINC001110046180 1001373386 /nfs/dbraw/zinc/37/33/86/1001373386.db2.gz RMHMXJFZILKXFZ-ANULTFPQSA-N 1 2 367.493 2.985 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)c1cnccn1 ZINC001096747190 1016519303 /nfs/dbraw/zinc/51/93/03/1016519303.db2.gz CDMPTTMMEHXKLU-LMMKCTJWSA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)c1cnccn1 ZINC001096747190 1016519311 /nfs/dbraw/zinc/51/93/11/1016519311.db2.gz CDMPTTMMEHXKLU-LMMKCTJWSA-N 1 2 366.852 2.517 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001057034724 1016566043 /nfs/dbraw/zinc/56/60/43/1016566043.db2.gz MCUVGSVMGQZTLO-ZACQAIPSSA-N 1 2 358.486 2.537 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@@H+](Cc4nn(C)cc4Cl)C[C@@]3(C)C2)C1 ZINC001091995482 1002199865 /nfs/dbraw/zinc/19/98/65/1002199865.db2.gz FUTLZQZJGFPQNZ-KUHUBIRLSA-N 1 2 362.905 2.710 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](Cc4nn(C)cc4Cl)C[C@@]3(C)C2)C1 ZINC001091995482 1002199867 /nfs/dbraw/zinc/19/98/67/1002199867.db2.gz FUTLZQZJGFPQNZ-KUHUBIRLSA-N 1 2 362.905 2.710 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CC4)nn3C)C[C@@]2(C)C1 ZINC001091980361 1002243239 /nfs/dbraw/zinc/24/32/39/1002243239.db2.gz BMZXXYFOZGRNFE-HBGVWJBISA-N 1 2 371.529 2.575 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CC4)nn3C)C[C@@]2(C)C1 ZINC001091980361 1002243250 /nfs/dbraw/zinc/24/32/50/1002243250.db2.gz BMZXXYFOZGRNFE-HBGVWJBISA-N 1 2 371.529 2.575 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001091980978 1002244755 /nfs/dbraw/zinc/24/47/55/1002244755.db2.gz IRKHAFRTJJMFDC-YSGRDPCXSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001091980978 1002244758 /nfs/dbraw/zinc/24/47/58/1002244758.db2.gz IRKHAFRTJJMFDC-YSGRDPCXSA-N 1 2 357.502 2.565 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CCCN(C(=O)CCc3ccc(N)[nH+]c3)C2)cc1 ZINC001183935465 1002433340 /nfs/dbraw/zinc/43/33/40/1002433340.db2.gz FIIRWPWEBWBYJZ-GOSISDBHSA-N 1 2 350.422 2.538 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc3n(n2)CCC3)C1 ZINC001086591785 1002534115 /nfs/dbraw/zinc/53/41/15/1002534115.db2.gz GJUOCPOZKZAEPB-PKOBYXMFSA-N 1 2 370.884 2.780 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc3n(n2)CCC3)C1 ZINC001086591785 1002534122 /nfs/dbraw/zinc/53/41/22/1002534122.db2.gz GJUOCPOZKZAEPB-PKOBYXMFSA-N 1 2 370.884 2.780 20 30 FFEDLO C[C@@H](C(=O)Nc1n[nH]c(-c2cccc(C#N)c2)n1)[N@@H+]1CCc2ccccc2C1 ZINC001184471365 1002628707 /nfs/dbraw/zinc/62/87/07/1002628707.db2.gz RWXQSWDRUNWCIR-AWEZNQCLSA-N 1 2 372.432 2.729 20 30 FFEDLO C[C@@H](C(=O)Nc1n[nH]c(-c2cccc(C#N)c2)n1)[N@H+]1CCc2ccccc2C1 ZINC001184471365 1002628711 /nfs/dbraw/zinc/62/87/11/1002628711.db2.gz RWXQSWDRUNWCIR-AWEZNQCLSA-N 1 2 372.432 2.729 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C)nn2)C1 ZINC001092314572 1002664932 /nfs/dbraw/zinc/66/49/32/1002664932.db2.gz NRHGXJFIPHGXHR-HZPDHXFCSA-N 1 2 368.485 2.527 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C)nn2)C1 ZINC001092315581 1002667718 /nfs/dbraw/zinc/66/77/18/1002667718.db2.gz HJVDASCBIGQGOC-DJIMGWMZSA-N 1 2 368.485 2.527 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CN(c3nc(C)[nH+]c4c3CCCC4)C[C@@]2(C)C1 ZINC001092285572 1002691366 /nfs/dbraw/zinc/69/13/66/1002691366.db2.gz MSOPPGJSZRRGLQ-HTAPYJJXSA-N 1 2 366.509 2.752 20 30 FFEDLO CN(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc(C#N)cc1 ZINC001184742581 1002709930 /nfs/dbraw/zinc/70/99/30/1002709930.db2.gz HRVBSPFIJRJOSA-FQEVSTJZSA-N 1 2 364.449 2.923 20 30 FFEDLO CN(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc(C#N)cc1 ZINC001184742581 1002709945 /nfs/dbraw/zinc/70/99/45/1002709945.db2.gz HRVBSPFIJRJOSA-FQEVSTJZSA-N 1 2 364.449 2.923 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110359741 1002899269 /nfs/dbraw/zinc/89/92/69/1002899269.db2.gz YUISYNFOBGGZIH-HSGBFHSBSA-N 1 2 371.456 2.734 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110359741 1002899278 /nfs/dbraw/zinc/89/92/78/1002899278.db2.gz YUISYNFOBGGZIH-HSGBFHSBSA-N 1 2 371.456 2.734 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110366163 1003014565 /nfs/dbraw/zinc/01/45/65/1003014565.db2.gz LGOHPYGRQFSYSO-OTNPHJDUSA-N 1 2 370.468 2.880 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110366163 1003014577 /nfs/dbraw/zinc/01/45/77/1003014577.db2.gz LGOHPYGRQFSYSO-OTNPHJDUSA-N 1 2 370.468 2.880 20 30 FFEDLO CC[C@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001110368919 1003055142 /nfs/dbraw/zinc/05/51/42/1003055142.db2.gz QYLFBPUSCFKDEE-YRXWBPOGSA-N 1 2 360.885 2.838 20 30 FFEDLO CC[C@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001110368919 1003055147 /nfs/dbraw/zinc/05/51/47/1003055147.db2.gz QYLFBPUSCFKDEE-YRXWBPOGSA-N 1 2 360.885 2.838 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC001110371246 1003096442 /nfs/dbraw/zinc/09/64/42/1003096442.db2.gz GZARAZCAXAHOIG-PIKADFDJSA-N 1 2 373.472 2.691 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC001110371246 1003096455 /nfs/dbraw/zinc/09/64/55/1003096455.db2.gz GZARAZCAXAHOIG-PIKADFDJSA-N 1 2 373.472 2.691 20 30 FFEDLO COCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110373629 1003144627 /nfs/dbraw/zinc/14/46/27/1003144627.db2.gz PAXIWUCXKUAHLM-QRQLOZEOSA-N 1 2 359.445 2.736 20 30 FFEDLO COCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110373629 1003144633 /nfs/dbraw/zinc/14/46/33/1003144633.db2.gz PAXIWUCXKUAHLM-QRQLOZEOSA-N 1 2 359.445 2.736 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC001110377939 1003251221 /nfs/dbraw/zinc/25/12/21/1003251221.db2.gz ZFGRTQSAYJYNJC-OPNNQBFTSA-N 1 2 371.481 2.710 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC001110377939 1003251229 /nfs/dbraw/zinc/25/12/29/1003251229.db2.gz ZFGRTQSAYJYNJC-OPNNQBFTSA-N 1 2 371.481 2.710 20 30 FFEDLO c1nn(-c2ncccn2)c2c1C(=NNc1cc[nH+]c3ccccc13)CCC2 ZINC000793000588 1003256471 /nfs/dbraw/zinc/25/64/71/1003256471.db2.gz XLNMSDCRRODXNY-UHFFFAOYSA-N 1 2 355.405 2.785 20 30 FFEDLO N#Cc1c2c(cn(C[NH+]3CCC(C4CCOCC4)CC3)c1=O)CCCC2 ZINC000793511253 1003391202 /nfs/dbraw/zinc/39/12/02/1003391202.db2.gz IIUJNJUYZYTDRJ-UHFFFAOYSA-N 1 2 355.482 2.695 20 30 FFEDLO C=CCCS(=O)(=O)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001196111445 1003680545 /nfs/dbraw/zinc/68/05/45/1003680545.db2.gz NTSAWYCRWYOMTD-UHFFFAOYSA-N 1 2 353.875 2.623 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000804835574 1003869657 /nfs/dbraw/zinc/86/96/57/1003869657.db2.gz RVCTZOQWWOIONR-MRXNPFEDSA-N 1 2 374.460 2.829 20 30 FFEDLO N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001196651593 1003901582 /nfs/dbraw/zinc/90/15/82/1003901582.db2.gz GIXOKKPNBZHRPZ-UHFFFAOYSA-N 1 2 359.798 2.593 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)CCCCC1 ZINC001196861431 1003995991 /nfs/dbraw/zinc/99/59/91/1003995991.db2.gz XYDSFAZEGHBZKE-NHCUHLMSSA-N 1 2 366.505 2.726 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)CCCCC1 ZINC001196861431 1003995999 /nfs/dbraw/zinc/99/59/99/1003995999.db2.gz XYDSFAZEGHBZKE-NHCUHLMSSA-N 1 2 366.505 2.726 20 30 FFEDLO CC[N@H+](CC(=O)NCCNc1ccc(C#N)cn1)Cc1ccccc1Cl ZINC000806437525 1004322193 /nfs/dbraw/zinc/32/21/93/1004322193.db2.gz OIYOFXXHNGDQEI-UHFFFAOYSA-N 1 2 371.872 2.657 20 30 FFEDLO CC[N@@H+](CC(=O)NCCNc1ccc(C#N)cn1)Cc1ccccc1Cl ZINC000806437525 1004322198 /nfs/dbraw/zinc/32/21/98/1004322198.db2.gz OIYOFXXHNGDQEI-UHFFFAOYSA-N 1 2 371.872 2.657 20 30 FFEDLO CCC[C@H](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001193286940 1004438746 /nfs/dbraw/zinc/43/87/46/1004438746.db2.gz OXZZZFNPAWMIQX-PWIZWCRZSA-N 1 2 357.498 2.826 20 30 FFEDLO CCC[C@H](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001193286940 1004438752 /nfs/dbraw/zinc/43/87/52/1004438752.db2.gz OXZZZFNPAWMIQX-PWIZWCRZSA-N 1 2 357.498 2.826 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@H]1O ZINC001193304199 1004445107 /nfs/dbraw/zinc/44/51/07/1004445107.db2.gz QVPDBRHWUWMUJP-CSMYWGQOSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@H]1O ZINC001193304199 1004445111 /nfs/dbraw/zinc/44/51/11/1004445111.db2.gz QVPDBRHWUWMUJP-CSMYWGQOSA-N 1 2 352.425 2.789 20 30 FFEDLO Cn1c[nH+]c(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 ZINC001198016850 1004445749 /nfs/dbraw/zinc/44/57/49/1004445749.db2.gz LQAFYASRJFGDCD-UHFFFAOYSA-N 1 2 362.393 2.843 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)cc(F)c1 ZINC001110500455 1004459072 /nfs/dbraw/zinc/45/90/72/1004459072.db2.gz AZMYAHJCJVICFJ-VXIBKDFQSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)cc(F)c1 ZINC001110500455 1004459077 /nfs/dbraw/zinc/45/90/77/1004459077.db2.gz AZMYAHJCJVICFJ-VXIBKDFQSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccccc3)oc2C)C[C@H]1O ZINC001193407057 1004465119 /nfs/dbraw/zinc/46/51/19/1004465119.db2.gz BXVIEKDRJNTVKF-RTBURBONSA-N 1 2 369.465 2.668 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)oc2C)C[C@H]1O ZINC001193407057 1004465122 /nfs/dbraw/zinc/46/51/22/1004465122.db2.gz BXVIEKDRJNTVKF-RTBURBONSA-N 1 2 369.465 2.668 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)nc2)C[C@H]1O ZINC001198096629 1004480753 /nfs/dbraw/zinc/48/07/53/1004480753.db2.gz QQXGAJQWTMIBEC-RTBURBONSA-N 1 2 362.518 2.587 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)nc2)C[C@H]1O ZINC001198096629 1004480761 /nfs/dbraw/zinc/48/07/61/1004480761.db2.gz QQXGAJQWTMIBEC-RTBURBONSA-N 1 2 362.518 2.587 20 30 FFEDLO CC1(C)C[N@@H+](C2CN(Cc3ccc(C#N)cc3Br)C2)CCO1 ZINC001137638228 1004576014 /nfs/dbraw/zinc/57/60/14/1004576014.db2.gz XMEHIOSYKXKEPK-UHFFFAOYSA-N 1 2 364.287 2.616 20 30 FFEDLO CC1(C)C[N@H+](C2CN(Cc3ccc(C#N)cc3Br)C2)CCO1 ZINC001137638228 1004576019 /nfs/dbraw/zinc/57/60/19/1004576019.db2.gz XMEHIOSYKXKEPK-UHFFFAOYSA-N 1 2 364.287 2.616 20 30 FFEDLO CC(C)=CCC[C@@H](C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131079518 1004714790 /nfs/dbraw/zinc/71/47/90/1004714790.db2.gz NQBWBECXLHBYLY-KZNAEPCWSA-N 1 2 357.502 2.600 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]3C[N@H+](Cc4cc(F)ccc4C#N)C[C@H]32)O1 ZINC001050146284 1016912247 /nfs/dbraw/zinc/91/22/47/1016912247.db2.gz RIVWEDVYCFIHHE-HIBPSGHXSA-N 1 2 371.456 2.688 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]3C[N@@H+](Cc4cc(F)ccc4C#N)C[C@H]32)O1 ZINC001050146284 1016912255 /nfs/dbraw/zinc/91/22/55/1016912255.db2.gz RIVWEDVYCFIHHE-HIBPSGHXSA-N 1 2 371.456 2.688 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC3CCCC3)C2)s1 ZINC001199201136 1004866163 /nfs/dbraw/zinc/86/61/63/1004866163.db2.gz GKBBBIWHYGDHNI-QZTJIDSGSA-N 1 2 361.511 2.642 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC3CCCC3)C2)s1 ZINC001199201136 1004866168 /nfs/dbraw/zinc/86/61/68/1004866168.db2.gz GKBBBIWHYGDHNI-QZTJIDSGSA-N 1 2 361.511 2.642 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)s1 ZINC001110546198 1005072756 /nfs/dbraw/zinc/07/27/56/1005072756.db2.gz PYUPKMKRSWJANG-GBOPCIDUSA-N 1 2 352.887 2.661 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)s1 ZINC001110546198 1005072762 /nfs/dbraw/zinc/07/27/62/1005072762.db2.gz PYUPKMKRSWJANG-GBOPCIDUSA-N 1 2 352.887 2.661 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1O ZINC001195923659 1005074692 /nfs/dbraw/zinc/07/46/92/1005074692.db2.gz IQXYSXALZOXFIR-JFIYKMOQSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1O ZINC001195923659 1005074700 /nfs/dbraw/zinc/07/47/00/1005074700.db2.gz IQXYSXALZOXFIR-JFIYKMOQSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CO[C@H](C)CC)C1 ZINC001111707517 1005116056 /nfs/dbraw/zinc/11/60/56/1005116056.db2.gz DSMLGRJNBAOJHK-YCPHGPKFSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CO[C@H](C)CC)C1 ZINC001111707517 1005116057 /nfs/dbraw/zinc/11/60/57/1005116057.db2.gz DSMLGRJNBAOJHK-YCPHGPKFSA-N 1 2 359.308 2.681 20 30 FFEDLO N#Cc1ccc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)c(F)c1 ZINC001201573865 1005235313 /nfs/dbraw/zinc/23/53/13/1005235313.db2.gz ILPJIZAEHNCKEA-UHFFFAOYSA-N 1 2 352.413 2.962 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC(F)(F)C(F)F)[C@H]1C ZINC001489291829 1005450730 /nfs/dbraw/zinc/45/07/30/1005450730.db2.gz RZRQHMFGXJCVCI-BDAKNGLRSA-N 1 2 361.177 2.765 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC(F)(F)C(F)F)[C@H]1C ZINC001489291829 1005450731 /nfs/dbraw/zinc/45/07/31/1005450731.db2.gz RZRQHMFGXJCVCI-BDAKNGLRSA-N 1 2 361.177 2.765 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001489954425 1005600965 /nfs/dbraw/zinc/60/09/65/1005600965.db2.gz SPQSZOYXZDTSFN-CVEARBPZSA-N 1 2 368.481 2.903 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]2C1 ZINC001490047356 1005642438 /nfs/dbraw/zinc/64/24/38/1005642438.db2.gz VNWZXGUCUVYHKZ-SJORKVTESA-N 1 2 366.465 2.611 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C)CCCC1 ZINC001490109467 1005647881 /nfs/dbraw/zinc/64/78/81/1005647881.db2.gz KUEDCIZGRLTJEA-WBVHZDCISA-N 1 2 358.486 2.584 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C)CCCC1 ZINC001490109467 1005647882 /nfs/dbraw/zinc/64/78/82/1005647882.db2.gz KUEDCIZGRLTJEA-WBVHZDCISA-N 1 2 358.486 2.584 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCCCC1 ZINC001110610726 1005671164 /nfs/dbraw/zinc/67/11/64/1005671164.db2.gz OZKOZWAHAKSSAT-QRVBRYPASA-N 1 2 361.530 2.761 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCCCC1 ZINC001110610726 1005671166 /nfs/dbraw/zinc/67/11/66/1005671166.db2.gz OZKOZWAHAKSSAT-QRVBRYPASA-N 1 2 361.530 2.761 20 30 FFEDLO C=C1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C3)CC1 ZINC001490616112 1005745738 /nfs/dbraw/zinc/74/57/38/1005745738.db2.gz XKIJVULXEVIART-NQYYFHDYSA-N 1 2 370.497 2.829 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccc(OCC)cc3)C[C@H]21 ZINC001187233052 1005969076 /nfs/dbraw/zinc/96/90/76/1005969076.db2.gz OGIHOMMQEGOFPJ-QFBILLFUSA-N 1 2 371.481 2.523 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccc(OCC)cc3)C[C@H]21 ZINC001187233052 1005969080 /nfs/dbraw/zinc/96/90/80/1005969080.db2.gz OGIHOMMQEGOFPJ-QFBILLFUSA-N 1 2 371.481 2.523 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1nn(C)c3ccccc13)C2 ZINC001097084702 1017010788 /nfs/dbraw/zinc/01/07/88/1017010788.db2.gz NAOSOIDMNLJRIY-QBIMZIAESA-N 1 2 358.873 2.590 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1nn(C)c3ccccc13)C2 ZINC001097084702 1017010797 /nfs/dbraw/zinc/01/07/97/1017010797.db2.gz NAOSOIDMNLJRIY-QBIMZIAESA-N 1 2 358.873 2.590 20 30 FFEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852330242 1005982541 /nfs/dbraw/zinc/98/25/41/1005982541.db2.gz OZIPSNFNLCRLFO-OAQYLSRUSA-N 1 2 359.433 2.839 20 30 FFEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852330242 1005982548 /nfs/dbraw/zinc/98/25/48/1005982548.db2.gz OZIPSNFNLCRLFO-OAQYLSRUSA-N 1 2 359.433 2.839 20 30 FFEDLO Cc1ccc(N2CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c(C)c1 ZINC000852742863 1006165013 /nfs/dbraw/zinc/16/50/13/1006165013.db2.gz ONOJSUGUJFTUGZ-RXVVDRJESA-N 1 2 356.514 2.868 20 30 FFEDLO CC(C)(C)OC(=O)C1([NH2+]CCCOc2ccc(C#N)cc2)CCOCC1 ZINC000852752955 1006168784 /nfs/dbraw/zinc/16/87/84/1006168784.db2.gz RXFIZHSOFGIZHV-UHFFFAOYSA-N 1 2 360.454 2.808 20 30 FFEDLO CCc1nnsc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001095710592 1017028932 /nfs/dbraw/zinc/02/89/32/1017028932.db2.gz UAHXAIKRPRGXBI-PVAVHDDUSA-N 1 2 367.478 2.507 20 30 FFEDLO CCc1nnsc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001095710592 1017028948 /nfs/dbraw/zinc/02/89/48/1017028948.db2.gz UAHXAIKRPRGXBI-PVAVHDDUSA-N 1 2 367.478 2.507 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4ccsc4)no3)C[C@H]21 ZINC001187714357 1006209731 /nfs/dbraw/zinc/20/97/31/1006209731.db2.gz OIWRTUSAHPKAAS-GOEBONIOSA-N 1 2 370.478 2.634 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4ccsc4)no3)C[C@H]21 ZINC001187714357 1006209737 /nfs/dbraw/zinc/20/97/37/1006209737.db2.gz OIWRTUSAHPKAAS-GOEBONIOSA-N 1 2 370.478 2.634 20 30 FFEDLO O=C(C#CC1CC[NH2+]CC1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000852890127 1006223104 /nfs/dbraw/zinc/22/31/04/1006223104.db2.gz RJDUONWTPUGCHO-SFHVURJKSA-N 1 2 369.513 2.561 20 30 FFEDLO N#CCCCC(=O)N1CCC2(C[NH+](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC001273550544 1006309147 /nfs/dbraw/zinc/30/91/47/1006309147.db2.gz BCRSGJKPQKAXFP-UHFFFAOYSA-N 1 2 351.454 2.681 20 30 FFEDLO Cc1ccc2c(c1)C[N@@H+](CN1CC(=O)N(Cc3ccccc3C#N)C1=O)CC2 ZINC000853534533 1006432703 /nfs/dbraw/zinc/43/27/03/1006432703.db2.gz UNAWKOWDDPWDIH-UHFFFAOYSA-N 1 2 374.444 2.647 20 30 FFEDLO Cc1ccc2c(c1)C[N@H+](CN1CC(=O)N(Cc3ccccc3C#N)C1=O)CC2 ZINC000853534533 1006432710 /nfs/dbraw/zinc/43/27/10/1006432710.db2.gz UNAWKOWDDPWDIH-UHFFFAOYSA-N 1 2 374.444 2.647 20 30 FFEDLO CN(c1ccccc1)c1ccc(C=[NH+]Nc2cnnn2C)cc1[N+](=O)[O-] ZINC000814982124 1006485566 /nfs/dbraw/zinc/48/55/66/1006485566.db2.gz YBXMABLBNSPMDH-UHFFFAOYSA-N 1 2 351.370 2.937 20 30 FFEDLO CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)c1cccc(CC#N)c1)C2 ZINC001188667495 1006686793 /nfs/dbraw/zinc/68/67/93/1006686793.db2.gz KHRGNNJHBUMGOQ-UHFFFAOYSA-N 1 2 351.454 2.514 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2cn3cc(C(F)(F)F)cc(Cl)c3n2)CC1 ZINC001152440661 1032167264 /nfs/dbraw/zinc/16/72/64/1032167264.db2.gz NGZRCQIFHSUGQC-UHFFFAOYSA-N 1 2 372.778 2.950 20 30 FFEDLO N#Cc1ccccc1/C=C/C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000855325915 1007277078 /nfs/dbraw/zinc/27/70/78/1007277078.db2.gz PJTFVDQPQAIETM-CUCSWSTBSA-N 1 2 373.456 2.683 20 30 FFEDLO N#Cc1ccccc1/C=C/C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000855325915 1007277089 /nfs/dbraw/zinc/27/70/89/1007277089.db2.gz PJTFVDQPQAIETM-CUCSWSTBSA-N 1 2 373.456 2.683 20 30 FFEDLO N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(F)cc(F)c2)c[nH]1 ZINC001095330763 1007472953 /nfs/dbraw/zinc/47/29/53/1007472953.db2.gz BNSAIOBHJGXIHC-SQNIBIBYSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(F)cc(F)c2)c[nH]1 ZINC001095330763 1007472969 /nfs/dbraw/zinc/47/29/69/1007472969.db2.gz BNSAIOBHJGXIHC-SQNIBIBYSA-N 1 2 356.376 2.700 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)n1 ZINC001110424824 1007526269 /nfs/dbraw/zinc/52/62/69/1007526269.db2.gz ZIXCNLUBAYFDHT-ZACQAIPSSA-N 1 2 363.889 2.939 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)n1 ZINC001110424824 1007526280 /nfs/dbraw/zinc/52/62/80/1007526280.db2.gz ZIXCNLUBAYFDHT-ZACQAIPSSA-N 1 2 363.889 2.939 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CCCOC(C)C)[C@@H]2C1 ZINC001190493725 1007677973 /nfs/dbraw/zinc/67/79/73/1007677973.db2.gz BTMFGYAZNGYZEQ-LSDHHAIUSA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCOC(C)C)[C@@H]2C1 ZINC001190493725 1007677976 /nfs/dbraw/zinc/67/79/76/1007677976.db2.gz BTMFGYAZNGYZEQ-LSDHHAIUSA-N 1 2 359.308 2.633 20 30 FFEDLO C#CC[C@@H]([NH2+]Cc1nnc2n1c1ccc(C)cc1c(=O)n2C)c1ccccc1 ZINC000775404536 1007749206 /nfs/dbraw/zinc/74/92/06/1007749206.db2.gz PJMZRJZBTFXQTF-GOSISDBHSA-N 1 2 371.444 2.744 20 30 FFEDLO C#Cc1ccc(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)c(Cl)c1 ZINC000885671203 1007778150 /nfs/dbraw/zinc/77/81/50/1007778150.db2.gz BXXNKLLIDOMMBF-KRWDZBQOSA-N 1 2 372.856 2.757 20 30 FFEDLO C#Cc1ccc(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)c(Cl)c1 ZINC000885671203 1007778163 /nfs/dbraw/zinc/77/81/63/1007778163.db2.gz BXXNKLLIDOMMBF-KRWDZBQOSA-N 1 2 372.856 2.757 20 30 FFEDLO N#Cc1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)c1 ZINC001190975726 1007856995 /nfs/dbraw/zinc/85/69/95/1007856995.db2.gz HGHKKULFCVXTCM-WOJBJXKFSA-N 1 2 350.418 2.799 20 30 FFEDLO N#Cc1cccc([C@H](O)C[N@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)c1 ZINC001190975726 1007857007 /nfs/dbraw/zinc/85/70/07/1007857007.db2.gz HGHKKULFCVXTCM-WOJBJXKFSA-N 1 2 350.418 2.799 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1)C1CC1 ZINC000858013660 1008277180 /nfs/dbraw/zinc/27/71/80/1008277180.db2.gz JRULNLGQNWOUQD-WIYYLYMNSA-N 1 2 368.481 2.611 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1)C1CC1 ZINC000858013660 1008277187 /nfs/dbraw/zinc/27/71/87/1008277187.db2.gz JRULNLGQNWOUQD-WIYYLYMNSA-N 1 2 368.481 2.611 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)C[C@H]1C ZINC001206543812 1032335405 /nfs/dbraw/zinc/33/54/05/1032335405.db2.gz AKFOGSLRUVSJFC-DNVCBOLYSA-N 1 2 356.445 2.914 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C[C@H]1C ZINC001206543812 1032335407 /nfs/dbraw/zinc/33/54/07/1032335407.db2.gz AKFOGSLRUVSJFC-DNVCBOLYSA-N 1 2 356.445 2.914 20 30 FFEDLO C#CCC1([NH2+]Cc2nnc(C(=O)Nc3ccc(C)cc3)s2)CCOCC1 ZINC000887123299 1009038863 /nfs/dbraw/zinc/03/88/63/1009038863.db2.gz IOUJAXJTHUMTQU-UHFFFAOYSA-N 1 2 370.478 2.761 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001090686544 1009056784 /nfs/dbraw/zinc/05/67/84/1009056784.db2.gz SABWSGHFIOYCFZ-RHSMWYFYSA-N 1 2 358.486 2.586 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@]3(C#N)CC34CCCC4)C2)c1 ZINC000826552028 1009075568 /nfs/dbraw/zinc/07/55/68/1009075568.db2.gz VHCWALRMWGZOGZ-SIKLNZKXSA-N 1 2 367.493 2.786 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@]3(C#N)CC34CCCC4)C2)c1 ZINC000826552028 1009075583 /nfs/dbraw/zinc/07/55/83/1009075583.db2.gz VHCWALRMWGZOGZ-SIKLNZKXSA-N 1 2 367.493 2.786 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C2CCC3(COC3)CC2)CC1=O ZINC000887272754 1009118494 /nfs/dbraw/zinc/11/84/94/1009118494.db2.gz UXAJHPICISWLBQ-UHFFFAOYSA-N 1 2 366.465 2.605 20 30 FFEDLO CCOC(=O)C[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1O ZINC000823581620 1009120120 /nfs/dbraw/zinc/12/01/20/1009120120.db2.gz MUQSWPDIQZUKCP-UHFFFAOYSA-N 1 2 354.406 2.860 20 30 FFEDLO CCOC(=O)C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1O ZINC000823581620 1009120127 /nfs/dbraw/zinc/12/01/27/1009120127.db2.gz MUQSWPDIQZUKCP-UHFFFAOYSA-N 1 2 354.406 2.860 20 30 FFEDLO C#CC[C@@H](COC)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000860827709 1009165611 /nfs/dbraw/zinc/16/56/11/1009165611.db2.gz RITRLVUQKOOIHD-INIZCTEOSA-N 1 2 350.422 2.762 20 30 FFEDLO N#Cc1c(F)ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1F ZINC001178990909 1009219856 /nfs/dbraw/zinc/21/98/56/1009219856.db2.gz GTADOLICTJIJKK-QGZVFWFLSA-N 1 2 357.360 2.676 20 30 FFEDLO N#Cc1c(F)ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1F ZINC001178990909 1009219867 /nfs/dbraw/zinc/21/98/67/1009219867.db2.gz GTADOLICTJIJKK-QGZVFWFLSA-N 1 2 357.360 2.676 20 30 FFEDLO C=CC[N@@H+](CCC1(NC(=O)OC(C)(C)C)CCOCC1)CC(=O)OCC ZINC001179868713 1009484466 /nfs/dbraw/zinc/48/44/66/1009484466.db2.gz HPJDBLOOEUNLAF-UHFFFAOYSA-N 1 2 370.490 2.502 20 30 FFEDLO C=CC[N@H+](CCC1(NC(=O)OC(C)(C)C)CCOCC1)CC(=O)OCC ZINC001179868713 1009484472 /nfs/dbraw/zinc/48/44/72/1009484472.db2.gz HPJDBLOOEUNLAF-UHFFFAOYSA-N 1 2 370.490 2.502 20 30 FFEDLO CC#CCCCCCCCC(=O)N1CC2(C1)CC[N@@H+](COCCOC)C2 ZINC001274163675 1009525543 /nfs/dbraw/zinc/52/55/43/1009525543.db2.gz IIVNADLMSIOKEA-UHFFFAOYSA-N 1 2 364.530 2.895 20 30 FFEDLO CC#CCCCCCCCC(=O)N1CC2(C1)CC[N@H+](COCCOC)C2 ZINC001274163675 1009525557 /nfs/dbraw/zinc/52/55/57/1009525557.db2.gz IIVNADLMSIOKEA-UHFFFAOYSA-N 1 2 364.530 2.895 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](Cc2csc(C3CC3)n2)C[C@H]1C ZINC001206778844 1032421639 /nfs/dbraw/zinc/42/16/39/1032421639.db2.gz MOQFEQRXJCNDIL-RHSMWYFYSA-N 1 2 363.527 2.940 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+](Cc2csc(C3CC3)n2)C[C@H]1C ZINC001206778844 1032421644 /nfs/dbraw/zinc/42/16/44/1032421644.db2.gz MOQFEQRXJCNDIL-RHSMWYFYSA-N 1 2 363.527 2.940 20 30 FFEDLO C=CCC1(O)CCN(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CC1 ZINC000889539820 1010006097 /nfs/dbraw/zinc/00/60/97/1010006097.db2.gz MNTXVXUJDVATRU-QAQDUYKDSA-N 1 2 358.486 2.917 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(C3CC3)c(C#N)c2)C1 ZINC000890044059 1010251948 /nfs/dbraw/zinc/25/19/48/1010251948.db2.gz XLGKGQBEBHVEIV-HXUWFJFHSA-N 1 2 374.444 2.677 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(C3CC3)c(C#N)c2)C1 ZINC000890044059 1010251957 /nfs/dbraw/zinc/25/19/57/1010251957.db2.gz XLGKGQBEBHVEIV-HXUWFJFHSA-N 1 2 374.444 2.677 20 30 FFEDLO COc1ccccc1Cn1c[nH+]cc1CNC(=O)Cc1ccccc1C#N ZINC001181806388 1010253531 /nfs/dbraw/zinc/25/35/31/1010253531.db2.gz YVLPNOJPJDNQAB-UHFFFAOYSA-N 1 2 360.417 2.671 20 30 FFEDLO CCOC(=O)c1cc(C#N)c(NC(=O)[C@H]2CCCC[N@@H+]2CC)c(C)c1O ZINC001181999486 1010337878 /nfs/dbraw/zinc/33/78/78/1010337878.db2.gz ZVBBTIDVQCFNJB-OAHLLOKOSA-N 1 2 359.426 2.562 20 30 FFEDLO CCOC(=O)c1cc(C#N)c(NC(=O)[C@H]2CCCC[N@H+]2CC)c(C)c1O ZINC001181999486 1010337890 /nfs/dbraw/zinc/33/78/90/1010337890.db2.gz ZVBBTIDVQCFNJB-OAHLLOKOSA-N 1 2 359.426 2.562 20 30 FFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000512532836 1010360892 /nfs/dbraw/zinc/36/08/92/1010360892.db2.gz VUKAFLJZWHNAHZ-LJQANCHMSA-N 1 2 360.502 2.622 20 30 FFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000512532836 1010360907 /nfs/dbraw/zinc/36/09/07/1010360907.db2.gz VUKAFLJZWHNAHZ-LJQANCHMSA-N 1 2 360.502 2.622 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC(C)C)C3)c1 ZINC001110276806 1010499667 /nfs/dbraw/zinc/49/96/67/1010499667.db2.gz MLBMHKPCJNMORQ-AQNXPRMDSA-N 1 2 367.493 2.764 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC(C)C)C3)c1 ZINC001110276806 1010499674 /nfs/dbraw/zinc/49/96/74/1010499674.db2.gz MLBMHKPCJNMORQ-AQNXPRMDSA-N 1 2 367.493 2.764 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nc(C)cc1C(F)F)C2 ZINC001097140787 1017097852 /nfs/dbraw/zinc/09/78/52/1017097852.db2.gz RDUHGTYOCHCHPI-UPJWGTAASA-N 1 2 358.820 2.603 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nc(C)cc1C(F)F)C2 ZINC001097140787 1017097860 /nfs/dbraw/zinc/09/78/60/1017097860.db2.gz RDUHGTYOCHCHPI-UPJWGTAASA-N 1 2 358.820 2.603 20 30 FFEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)c1 ZINC001206939502 1032513831 /nfs/dbraw/zinc/51/38/31/1032513831.db2.gz IIDSOMFJERRPRS-WSTZPKSXSA-N 1 2 369.509 2.726 20 30 FFEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)c1 ZINC001206939502 1032513835 /nfs/dbraw/zinc/51/38/35/1032513835.db2.gz IIDSOMFJERRPRS-WSTZPKSXSA-N 1 2 369.509 2.726 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000866240352 1010959644 /nfs/dbraw/zinc/95/96/44/1010959644.db2.gz CIGSDIGPUGGSIA-KGLIPLIRSA-N 1 2 373.478 2.926 20 30 FFEDLO C[C@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)c1cccc(C#N)c1O ZINC000866354285 1010982209 /nfs/dbraw/zinc/98/22/09/1010982209.db2.gz MNACDHIAGQTQMM-DOTOQJQBSA-N 1 2 365.433 2.594 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2sc(N)c(C#N)c2Cl)C1=O ZINC001275015444 1011824950 /nfs/dbraw/zinc/82/49/50/1011824950.db2.gz JOENEMRPHABNCK-KRWDZBQOSA-N 1 2 364.902 2.998 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2sc(N)c(C#N)c2Cl)C1=O ZINC001275015444 1011824967 /nfs/dbraw/zinc/82/49/67/1011824967.db2.gz JOENEMRPHABNCK-KRWDZBQOSA-N 1 2 364.902 2.998 20 30 FFEDLO N#Cc1cnn(-c2ccc(F)cc2)c1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212665585 1011851748 /nfs/dbraw/zinc/85/17/48/1011851748.db2.gz WFZZIQWKBSNXBH-UHFFFAOYSA-N 1 2 363.396 2.803 20 30 FFEDLO N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2c[nH]c(Br)c2)C1=O ZINC001276750656 1032587690 /nfs/dbraw/zinc/58/76/90/1032587690.db2.gz PUWPRNPSOSEYHX-MRXNPFEDSA-N 1 2 365.275 2.648 20 30 FFEDLO N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2c[nH]c(Br)c2)C1=O ZINC001276750656 1032587698 /nfs/dbraw/zinc/58/76/98/1032587698.db2.gz PUWPRNPSOSEYHX-MRXNPFEDSA-N 1 2 365.275 2.648 20 30 FFEDLO CC#CC[C@H](CO)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000646386229 1011897224 /nfs/dbraw/zinc/89/72/24/1011897224.db2.gz LRYGNNFWNBXXAB-QGZVFWFLSA-N 1 2 352.438 2.782 20 30 FFEDLO CCCC[C@@H]1C[C@@H](N2CC[NH2+]C[C@@H]2C#N)CCN1C(=O)OC(C)(C)C ZINC001172641861 1011913087 /nfs/dbraw/zinc/91/30/87/1011913087.db2.gz LQMQNHQNXRLFFK-IKGGRYGDSA-N 1 2 350.507 2.742 20 30 FFEDLO C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001172869850 1012079638 /nfs/dbraw/zinc/07/96/38/1012079638.db2.gz RRTQQTTVASIPFC-ZDUSSCGKSA-N 1 2 359.836 2.894 20 30 FFEDLO CC(C)(C)OC(=O)C[NH+]1CCC(N(CCC#N)Cc2cccnc2)CC1 ZINC001172892222 1012093385 /nfs/dbraw/zinc/09/33/85/1012093385.db2.gz UYFKWRWPDSBBHI-UHFFFAOYSA-N 1 2 358.486 2.603 20 30 FFEDLO CC(C)(C)OC(=O)CN1CCC([N@H+](CCC#N)Cc2cccnc2)CC1 ZINC001172892222 1012093405 /nfs/dbraw/zinc/09/34/05/1012093405.db2.gz UYFKWRWPDSBBHI-UHFFFAOYSA-N 1 2 358.486 2.603 20 30 FFEDLO CC(C)(C)OC(=O)CN1CCC([N@@H+](CCC#N)Cc2cccnc2)CC1 ZINC001172892222 1012093428 /nfs/dbraw/zinc/09/34/28/1012093428.db2.gz UYFKWRWPDSBBHI-UHFFFAOYSA-N 1 2 358.486 2.603 20 30 FFEDLO C#CC[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnn2)C1)c1ccccc1 ZINC001217081711 1032603972 /nfs/dbraw/zinc/60/39/72/1032603972.db2.gz NNTZESRMJAPCHJ-HHXXYDBFSA-N 1 2 368.506 2.672 20 30 FFEDLO C=C[C@@H]1C[C@@]1([NH2+]C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)OCC ZINC001173000403 1012168994 /nfs/dbraw/zinc/16/89/94/1012168994.db2.gz LOHISWDBORJVHQ-QRWLVFNGSA-N 1 2 360.429 2.528 20 30 FFEDLO CCCC[N@H+](CC#N)[C@H]1CCN(Cc2ccc(OC)cc2OC)C(=O)C1 ZINC001173039809 1012202782 /nfs/dbraw/zinc/20/27/82/1012202782.db2.gz SMIMQPLBHJCSLE-KRWDZBQOSA-N 1 2 359.470 2.820 20 30 FFEDLO CCCC[N@@H+](CC#N)[C@H]1CCN(Cc2ccc(OC)cc2OC)C(=O)C1 ZINC001173039809 1012202790 /nfs/dbraw/zinc/20/27/90/1012202790.db2.gz SMIMQPLBHJCSLE-KRWDZBQOSA-N 1 2 359.470 2.820 20 30 FFEDLO C=CCCCCCC[N@H+]1C[C@]2(F)CN(Cc3cncn3C)C(=O)[C@]2(F)C1 ZINC001275330790 1012312491 /nfs/dbraw/zinc/31/24/91/1012312491.db2.gz PLOFJVLTFZEHHL-RBUKOAKNSA-N 1 2 366.456 2.631 20 30 FFEDLO C=CCCCCCC[N@@H+]1C[C@]2(F)CN(Cc3cncn3C)C(=O)[C@]2(F)C1 ZINC001275330790 1012312505 /nfs/dbraw/zinc/31/25/05/1012312505.db2.gz PLOFJVLTFZEHHL-RBUKOAKNSA-N 1 2 366.456 2.631 20 30 FFEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(O)c(F)c1F ZINC001275351928 1012353303 /nfs/dbraw/zinc/35/33/03/1012353303.db2.gz ZJSYROAOZZQHQG-LJQANCHMSA-N 1 2 363.408 2.931 20 30 FFEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(O)c(F)c1F ZINC001275351928 1012353318 /nfs/dbraw/zinc/35/33/18/1012353318.db2.gz ZJSYROAOZZQHQG-LJQANCHMSA-N 1 2 363.408 2.931 20 30 FFEDLO N#CCCCN1C(=O)COCC12C[NH+](Cc1cccc3[nH]cc(Cl)c31)C2 ZINC001275422773 1012445429 /nfs/dbraw/zinc/44/54/29/1012445429.db2.gz FMHCORBKBCPLJS-UHFFFAOYSA-N 1 2 372.856 2.538 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001095164079 1012581497 /nfs/dbraw/zinc/58/14/97/1012581497.db2.gz IVLHJDBJMZBWRD-QYZOEREBSA-N 1 2 367.424 2.817 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001095164079 1012581510 /nfs/dbraw/zinc/58/15/10/1012581510.db2.gz IVLHJDBJMZBWRD-QYZOEREBSA-N 1 2 367.424 2.817 20 30 FFEDLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cncs2)C3)cc1C#N ZINC001095216505 1012726712 /nfs/dbraw/zinc/72/67/12/1012726712.db2.gz NLFAYVGICCPGEG-PMPSAXMXSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cncs2)C3)cc1C#N ZINC001095216505 1012726721 /nfs/dbraw/zinc/72/67/21/1012726721.db2.gz NLFAYVGICCPGEG-PMPSAXMXSA-N 1 2 368.462 2.559 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCCc3nc(CCC)no3)[C@@H]2C1 ZINC001222014223 1032652458 /nfs/dbraw/zinc/65/24/58/1032652458.db2.gz XIABYUHOPHKJMM-HUUCEWRRSA-N 1 2 366.893 2.630 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCc3nc(CCC)no3)[C@@H]2C1 ZINC001222014223 1032652490 /nfs/dbraw/zinc/65/24/90/1032652490.db2.gz XIABYUHOPHKJMM-HUUCEWRRSA-N 1 2 366.893 2.630 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](CCCc3ccc(OC)cc3)C[C@@]2(F)C1=O ZINC001275760860 1012970276 /nfs/dbraw/zinc/97/02/76/1012970276.db2.gz FSCZRRDIYLLLQE-VQTJNVASSA-N 1 2 364.436 2.778 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](CCCc3ccc(OC)cc3)C[C@@]2(F)C1=O ZINC001275760860 1012970284 /nfs/dbraw/zinc/97/02/84/1012970284.db2.gz FSCZRRDIYLLLQE-VQTJNVASSA-N 1 2 364.436 2.778 20 30 FFEDLO CCc1ocnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001095256131 1012970564 /nfs/dbraw/zinc/97/05/64/1012970564.db2.gz LROFUDXGJRVBTO-UGFHNGPFSA-N 1 2 356.451 2.705 20 30 FFEDLO CCc1ocnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001095256131 1012970578 /nfs/dbraw/zinc/97/05/78/1012970578.db2.gz LROFUDXGJRVBTO-UGFHNGPFSA-N 1 2 356.451 2.705 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001110888579 1017221683 /nfs/dbraw/zinc/22/16/83/1017221683.db2.gz KIGAUDPOGOSDKF-QRVBRYPASA-N 1 2 369.509 2.973 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001110888579 1017221692 /nfs/dbraw/zinc/22/16/92/1017221692.db2.gz KIGAUDPOGOSDKF-QRVBRYPASA-N 1 2 369.509 2.973 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4cc(C)ccc4o3)[C@@H]2C1 ZINC001222045901 1032697426 /nfs/dbraw/zinc/69/74/26/1032697426.db2.gz WESAZRILIWGURH-SJLPKXTDSA-N 1 2 352.434 2.537 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4cc(C)ccc4o3)[C@@H]2C1 ZINC001222045901 1032697437 /nfs/dbraw/zinc/69/74/37/1032697437.db2.gz WESAZRILIWGURH-SJLPKXTDSA-N 1 2 352.434 2.537 20 30 FFEDLO CCc1nnsc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001097469961 1017510014 /nfs/dbraw/zinc/51/00/14/1017510014.db2.gz AUMQTKMQUBNSJG-OIISXLGYSA-N 1 2 367.478 2.507 20 30 FFEDLO CCc1nnsc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001097469961 1017510024 /nfs/dbraw/zinc/51/00/24/1017510024.db2.gz AUMQTKMQUBNSJG-OIISXLGYSA-N 1 2 367.478 2.507 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)cs1 ZINC001097709799 1017828050 /nfs/dbraw/zinc/82/80/50/1017828050.db2.gz JEJQFDHUDKNPAU-KYJSFNMBSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)cs1 ZINC001097709799 1017828067 /nfs/dbraw/zinc/82/80/67/1017828067.db2.gz JEJQFDHUDKNPAU-KYJSFNMBSA-N 1 2 370.453 2.998 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2=CCOCC2)C3)c(F)c1 ZINC001097794680 1017939040 /nfs/dbraw/zinc/93/90/40/1017939040.db2.gz UMGYGSIZAXYQKU-RLLQIKCJSA-N 1 2 369.440 2.656 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2=CCOCC2)C3)c(F)c1 ZINC001097794680 1017939048 /nfs/dbraw/zinc/93/90/48/1017939048.db2.gz UMGYGSIZAXYQKU-RLLQIKCJSA-N 1 2 369.440 2.656 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc3n(n2)CCC3)CC1 ZINC001097788265 1017960494 /nfs/dbraw/zinc/96/04/94/1017960494.db2.gz AOSNFWRGADLOAV-RLLQIKCJSA-N 1 2 354.498 2.797 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc3n(n2)CCC3)CC1 ZINC001097788265 1017960502 /nfs/dbraw/zinc/96/05/02/1017960502.db2.gz AOSNFWRGADLOAV-RLLQIKCJSA-N 1 2 354.498 2.797 20 30 FFEDLO CC(C)=CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cccc(F)c2C#N)C1 ZINC001052718940 1018055413 /nfs/dbraw/zinc/05/54/13/1018055413.db2.gz SOOZZTSWGFTXDQ-CRAIPNDOSA-N 1 2 367.428 2.804 20 30 FFEDLO Cc1cc(C)c(C(=O)NC[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]2C)c(C)[nH+]1 ZINC001053254334 1018226034 /nfs/dbraw/zinc/22/60/34/1018226034.db2.gz YRKZUVCZGRKLDZ-RDTXWAMCSA-N 1 2 363.465 2.776 20 30 FFEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CCNc1cccc(F)c1C#N ZINC001053479003 1018329917 /nfs/dbraw/zinc/32/99/17/1018329917.db2.gz FIZBPAITIOSDSL-HZPDHXFCSA-N 1 2 369.444 2.881 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccccc2n1C ZINC001110924969 1018563538 /nfs/dbraw/zinc/56/35/38/1018563538.db2.gz AVFMHBGBNMLNTQ-POAQFYNOSA-N 1 2 364.493 2.988 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccccc2n1C ZINC001110924969 1018563546 /nfs/dbraw/zinc/56/35/46/1018563546.db2.gz AVFMHBGBNMLNTQ-POAQFYNOSA-N 1 2 364.493 2.988 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCC(C)CC1 ZINC001110928889 1018649704 /nfs/dbraw/zinc/64/97/04/1018649704.db2.gz KBQXYNZITLDNCP-WKXIVMOISA-N 1 2 373.541 2.596 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCC(C)CC1 ZINC001110928889 1018649711 /nfs/dbraw/zinc/64/97/11/1018649711.db2.gz KBQXYNZITLDNCP-WKXIVMOISA-N 1 2 373.541 2.596 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1 ZINC001110932354 1018690061 /nfs/dbraw/zinc/69/00/61/1018690061.db2.gz OULUCMFQZPYAAW-AITUJVMLSA-N 1 2 355.482 2.949 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1 ZINC001110932354 1018690067 /nfs/dbraw/zinc/69/00/67/1018690067.db2.gz OULUCMFQZPYAAW-AITUJVMLSA-N 1 2 355.482 2.949 20 30 FFEDLO CC(C)(C)/C=C/C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001217566112 1032785174 /nfs/dbraw/zinc/78/51/74/1032785174.db2.gz HEWMLEGATXIVMF-YMPXZSTISA-N 1 2 359.495 2.634 20 30 FFEDLO CC(C)(C)/C=C/C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001217566112 1032785184 /nfs/dbraw/zinc/78/51/84/1032785184.db2.gz HEWMLEGATXIVMF-YMPXZSTISA-N 1 2 359.495 2.634 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001096146247 1018849841 /nfs/dbraw/zinc/84/98/41/1018849841.db2.gz SKTVHGGIKQPKDH-SYAJIYQZSA-N 1 2 365.477 2.761 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001096146247 1018849859 /nfs/dbraw/zinc/84/98/59/1018849859.db2.gz SKTVHGGIKQPKDH-SYAJIYQZSA-N 1 2 365.477 2.761 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c(C)o1 ZINC001096148258 1018858360 /nfs/dbraw/zinc/85/83/60/1018858360.db2.gz IKHYYCDGDIPEDA-SQNIBIBYSA-N 1 2 364.449 2.952 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c(C)o1 ZINC001096148258 1018858383 /nfs/dbraw/zinc/85/83/83/1018858383.db2.gz IKHYYCDGDIPEDA-SQNIBIBYSA-N 1 2 364.449 2.952 20 30 FFEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000928652214 1019049468 /nfs/dbraw/zinc/04/94/68/1019049468.db2.gz VWDHWWDKYJETHM-QGZVFWFLSA-N 1 2 368.481 2.786 20 30 FFEDLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)ccn12 ZINC000928721256 1019096455 /nfs/dbraw/zinc/09/64/55/1019096455.db2.gz LIHSPHDCFZWGEL-QGZVFWFLSA-N 1 2 360.421 2.626 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2cccc(OC)c2)C1 ZINC001042740689 1019130451 /nfs/dbraw/zinc/13/04/51/1019130451.db2.gz AYTOGBBMWALCPC-YSGRDPCXSA-N 1 2 358.482 2.880 20 30 FFEDLO Cc1cc(N[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC001043128893 1019203873 /nfs/dbraw/zinc/20/38/73/1019203873.db2.gz STLBNDLFWJUHRD-MLGOLLRUSA-N 1 2 352.442 2.681 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn3ccccc13)C2 ZINC001098055716 1019223863 /nfs/dbraw/zinc/22/38/63/1019223863.db2.gz NTBXGPGXPKEKNC-QFUCXCTJSA-N 1 2 371.444 2.741 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn3ccccc13)C2 ZINC001098055716 1019223868 /nfs/dbraw/zinc/22/38/68/1019223868.db2.gz NTBXGPGXPKEKNC-QFUCXCTJSA-N 1 2 371.444 2.741 20 30 FFEDLO CCn1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c1C ZINC001096226837 1019494938 /nfs/dbraw/zinc/49/49/38/1019494938.db2.gz QNPGZIMCLOKZCV-HOJAQTOUSA-N 1 2 363.465 2.618 20 30 FFEDLO CCn1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c1C ZINC001096226837 1019494953 /nfs/dbraw/zinc/49/49/53/1019494953.db2.gz QNPGZIMCLOKZCV-HOJAQTOUSA-N 1 2 363.465 2.618 20 30 FFEDLO Cc1cccc(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000929586352 1019525476 /nfs/dbraw/zinc/52/54/76/1019525476.db2.gz ZBHLZFFQTLFQGV-UHFFFAOYSA-N 1 2 361.445 2.784 20 30 FFEDLO Cc1cccc(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000929586352 1019525482 /nfs/dbraw/zinc/52/54/82/1019525482.db2.gz ZBHLZFFQTLFQGV-UHFFFAOYSA-N 1 2 361.445 2.784 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC)CC1 ZINC000801950015 1019534235 /nfs/dbraw/zinc/53/42/35/1019534235.db2.gz FZVDXEGXEOWPHL-GOSISDBHSA-N 1 2 367.497 2.810 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(C)(C)C)nn1C)C2 ZINC001095967162 1019634160 /nfs/dbraw/zinc/63/41/60/1019634160.db2.gz GZYDPNWHBCOYGH-RDBSUJKOSA-N 1 2 350.894 2.805 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(C)(C)C)nn1C)C2 ZINC001095967162 1019634170 /nfs/dbraw/zinc/63/41/70/1019634170.db2.gz GZYDPNWHBCOYGH-RDBSUJKOSA-N 1 2 350.894 2.805 20 30 FFEDLO CCc1ncoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001095986493 1019703898 /nfs/dbraw/zinc/70/38/98/1019703898.db2.gz LRZATMNLKAJCAP-RLCCDNCMSA-N 1 2 356.451 2.705 20 30 FFEDLO CCc1ncoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001095986493 1019703913 /nfs/dbraw/zinc/70/39/13/1019703913.db2.gz LRZATMNLKAJCAP-RLCCDNCMSA-N 1 2 356.451 2.705 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncccc2F)C3)c(F)c1 ZINC001098100825 1019735759 /nfs/dbraw/zinc/73/57/59/1019735759.db2.gz KDZDHQZGIXIDJZ-OLMNPRSZSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncccc2F)C3)c(F)c1 ZINC001098100825 1019735773 /nfs/dbraw/zinc/73/57/73/1019735773.db2.gz KDZDHQZGIXIDJZ-OLMNPRSZSA-N 1 2 368.387 2.767 20 30 FFEDLO COc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)n1 ZINC001096269083 1019750278 /nfs/dbraw/zinc/75/02/78/1019750278.db2.gz FLYUDDKTZQJCRB-DQYPLSBCSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)n1 ZINC001096269083 1019750289 /nfs/dbraw/zinc/75/02/89/1019750289.db2.gz FLYUDDKTZQJCRB-DQYPLSBCSA-N 1 2 368.462 2.559 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)CC[C@H](O)c3ccccc3)CCO2)c1 ZINC000930136182 1019888371 /nfs/dbraw/zinc/88/83/71/1019888371.db2.gz RWOXFBMLHAMYGV-FSSWDIPSSA-N 1 2 366.461 2.806 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)CC[C@H](O)c3ccccc3)CCO2)c1 ZINC000930136182 1019888385 /nfs/dbraw/zinc/88/83/85/1019888385.db2.gz RWOXFBMLHAMYGV-FSSWDIPSSA-N 1 2 366.461 2.806 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)c2ncc(C)o2)C1 ZINC001070521464 1019992222 /nfs/dbraw/zinc/99/22/22/1019992222.db2.gz JPVYJKKDGJHQAH-YQQAZPJKSA-N 1 2 371.485 2.574 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1 ZINC001110989842 1020006617 /nfs/dbraw/zinc/00/66/17/1020006617.db2.gz XZTQRMUUGABKJT-WIRSXHRWSA-N 1 2 355.482 2.949 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1 ZINC001110989842 1020006630 /nfs/dbraw/zinc/00/66/30/1020006630.db2.gz XZTQRMUUGABKJT-WIRSXHRWSA-N 1 2 355.482 2.949 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)nc1 ZINC001096034808 1020022171 /nfs/dbraw/zinc/02/21/71/1020022171.db2.gz WQABDJCOOLUBSZ-NRKLIOEPSA-N 1 2 361.873 2.548 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)nc1 ZINC001096034808 1020022183 /nfs/dbraw/zinc/02/21/83/1020022183.db2.gz WQABDJCOOLUBSZ-NRKLIOEPSA-N 1 2 361.873 2.548 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC001045794491 1020144704 /nfs/dbraw/zinc/14/47/04/1020144704.db2.gz SKDMNDIUQQITDE-FAJBIJEISA-N 1 2 358.486 2.996 20 30 FFEDLO Cc1nc(NC[C@@H]2C[C@H](C)CCN2C(=O)CCc2c[nH]c[nH+]2)ccc1C#N ZINC001048386631 1020189706 /nfs/dbraw/zinc/18/97/06/1020189706.db2.gz HJHDQYOCNKJUKD-KDOFPFPSSA-N 1 2 366.469 2.657 20 30 FFEDLO Cc1nc(NC[C@@H]2C[C@H](C)CCN2C(=O)CCc2c[nH+]c[nH]2)ccc1C#N ZINC001048386631 1020189713 /nfs/dbraw/zinc/18/97/13/1020189713.db2.gz HJHDQYOCNKJUKD-KDOFPFPSSA-N 1 2 366.469 2.657 20 30 FFEDLO CC(C)C#CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H](C)c3ccc(Cl)cc3)C[C@@H]21 ZINC001217840306 1032885745 /nfs/dbraw/zinc/88/57/45/1032885745.db2.gz XHGVAMMSNNJXOQ-ZYSHUDEJSA-N 1 2 360.885 2.972 20 30 FFEDLO CC(C)C#CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H](C)c3ccc(Cl)cc3)C[C@@H]21 ZINC001217840306 1032885763 /nfs/dbraw/zinc/88/57/63/1032885763.db2.gz XHGVAMMSNNJXOQ-ZYSHUDEJSA-N 1 2 360.885 2.972 20 30 FFEDLO C[C@@H]1C[N@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)Cc2ccccc21 ZINC000725765287 1020253705 /nfs/dbraw/zinc/25/37/05/1020253705.db2.gz LXSBBTMZVLRWDD-IVZQSRNASA-N 1 2 374.444 2.902 20 30 FFEDLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)Cc2ccccc21 ZINC000725765287 1020253716 /nfs/dbraw/zinc/25/37/16/1020253716.db2.gz LXSBBTMZVLRWDD-IVZQSRNASA-N 1 2 374.444 2.902 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2Cc2cccs2)CC1 ZINC000802696820 1020334282 /nfs/dbraw/zinc/33/42/82/1020334282.db2.gz GCVOELSJWBDJFT-UHFFFAOYSA-N 1 2 363.490 2.810 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)[C@@H]2CC)cn1 ZINC001048763484 1020484786 /nfs/dbraw/zinc/48/47/86/1020484786.db2.gz NCERSQJTFHDUDN-RBUKOAKNSA-N 1 2 363.465 2.565 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)CC1 ZINC000800742371 1020509683 /nfs/dbraw/zinc/50/96/83/1020509683.db2.gz IMGDDPPJIIDGOW-UHFFFAOYSA-N 1 2 374.492 2.645 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cc(C)on1 ZINC001074015548 1020624484 /nfs/dbraw/zinc/62/44/84/1020624484.db2.gz CYEJHWCLPXXEAW-QRVBRYPASA-N 1 2 361.486 2.777 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cc(C)on1 ZINC001074015548 1020624486 /nfs/dbraw/zinc/62/44/86/1020624486.db2.gz CYEJHWCLPXXEAW-QRVBRYPASA-N 1 2 361.486 2.777 20 30 FFEDLO C#CCN(C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)C1CSC1 ZINC000903142455 1020700449 /nfs/dbraw/zinc/70/04/49/1020700449.db2.gz LCXGVQVDDDHHGM-HOTGVXAUSA-N 1 2 373.522 2.878 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccc3oc1=O)C2 ZINC001096476904 1020756225 /nfs/dbraw/zinc/75/62/25/1020756225.db2.gz SMUUPDUBKYSCED-KBMXLJTQSA-N 1 2 358.825 2.881 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccc3oc1=O)C2 ZINC001096476904 1020756229 /nfs/dbraw/zinc/75/62/29/1020756229.db2.gz SMUUPDUBKYSCED-KBMXLJTQSA-N 1 2 358.825 2.881 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)nc1 ZINC001098246900 1020759332 /nfs/dbraw/zinc/75/93/32/1020759332.db2.gz ZQDCZFRXIQZSPU-ZMYBRWDISA-N 1 2 362.458 2.531 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)nc1 ZINC001098246900 1020759338 /nfs/dbraw/zinc/75/93/38/1020759338.db2.gz ZQDCZFRXIQZSPU-ZMYBRWDISA-N 1 2 362.458 2.531 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(Cl)no2)C3)cc1F ZINC001098257923 1020769437 /nfs/dbraw/zinc/76/94/37/1020769437.db2.gz GNAVBNVFAOXASJ-YUELXQCFSA-N 1 2 374.803 2.874 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(Cl)no2)C3)cc1F ZINC001098257923 1020769445 /nfs/dbraw/zinc/76/94/45/1020769445.db2.gz GNAVBNVFAOXASJ-YUELXQCFSA-N 1 2 374.803 2.874 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc(NC(C)=O)c1)C2 ZINC001098256914 1020770432 /nfs/dbraw/zinc/77/04/32/1020770432.db2.gz QAQDSXJBDWZVRM-KURKYZTESA-N 1 2 361.873 2.662 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc(NC(C)=O)c1)C2 ZINC001098256914 1020770434 /nfs/dbraw/zinc/77/04/34/1020770434.db2.gz QAQDSXJBDWZVRM-KURKYZTESA-N 1 2 361.873 2.662 20 30 FFEDLO C=CC[C@]1(C(=O)NCc2[nH]c(C)c(C)[nH+]2)CCCN1C(=O)OC(C)(C)C ZINC000901000113 1020777686 /nfs/dbraw/zinc/77/76/86/1020777686.db2.gz KJISECPQMRSDKQ-LJQANCHMSA-N 1 2 362.474 2.989 20 30 FFEDLO Cc1nc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)cs1 ZINC001096500432 1020794799 /nfs/dbraw/zinc/79/47/99/1020794799.db2.gz JEHWPTMZZWUPNZ-QYZOEREBSA-N 1 2 366.490 2.787 20 30 FFEDLO Cc1nc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)cs1 ZINC001096500432 1020794806 /nfs/dbraw/zinc/79/48/06/1020794806.db2.gz JEHWPTMZZWUPNZ-QYZOEREBSA-N 1 2 366.490 2.787 20 30 FFEDLO CCc1nc[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001098296668 1020800867 /nfs/dbraw/zinc/80/08/67/1020800867.db2.gz ZSNHJACJLGBNLX-OLMNPRSZSA-N 1 2 367.428 2.518 20 30 FFEDLO CCc1nc[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001098296668 1020800878 /nfs/dbraw/zinc/80/08/78/1020800878.db2.gz ZSNHJACJLGBNLX-OLMNPRSZSA-N 1 2 367.428 2.518 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001217997946 1032939297 /nfs/dbraw/zinc/93/92/97/1032939297.db2.gz LXJIDHCUZICPKM-RBUKOAKNSA-N 1 2 371.456 2.711 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001217997946 1032939305 /nfs/dbraw/zinc/93/93/05/1032939305.db2.gz LXJIDHCUZICPKM-RBUKOAKNSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCc3sccc3C1)C2 ZINC001098452659 1020920030 /nfs/dbraw/zinc/92/00/30/1020920030.db2.gz MDWKZXKWHUOWNI-OAGGEKHMSA-N 1 2 365.930 2.580 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCc3sccc3C1)C2 ZINC001098452659 1020920036 /nfs/dbraw/zinc/92/00/36/1020920036.db2.gz MDWKZXKWHUOWNI-OAGGEKHMSA-N 1 2 365.930 2.580 20 30 FFEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)nc1-c1ccncc1 ZINC000749798486 1021036587 /nfs/dbraw/zinc/03/65/87/1021036587.db2.gz IPDVDXPWJASLPZ-IAGOWNOFSA-N 1 2 371.510 2.978 20 30 FFEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)nc1-c1ccncc1 ZINC000749798486 1021036590 /nfs/dbraw/zinc/03/65/90/1021036590.db2.gz IPDVDXPWJASLPZ-IAGOWNOFSA-N 1 2 371.510 2.978 20 30 FFEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)nc1-c1cccnc1 ZINC000749806478 1021038659 /nfs/dbraw/zinc/03/86/59/1021038659.db2.gz MXFGREOKGIFVDX-DLBZAZTESA-N 1 2 371.510 2.978 20 30 FFEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)nc1-c1cccnc1 ZINC000749806478 1021038668 /nfs/dbraw/zinc/03/86/68/1021038668.db2.gz MXFGREOKGIFVDX-DLBZAZTESA-N 1 2 371.510 2.978 20 30 FFEDLO Cc1cccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 ZINC000933623575 1021050874 /nfs/dbraw/zinc/05/08/74/1021050874.db2.gz CSQAKKVBWVCFBD-TZIWHRDSSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1cccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 ZINC000933623575 1021050879 /nfs/dbraw/zinc/05/08/79/1021050879.db2.gz CSQAKKVBWVCFBD-TZIWHRDSSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1ccc(F)c(N2CCC[C@@H]([NH+]3CCC4(CC3)CC(=O)C=CO4)C2=O)c1 ZINC000933652206 1021059943 /nfs/dbraw/zinc/05/99/43/1021059943.db2.gz UAJUTBSXFFJERP-GOSISDBHSA-N 1 2 372.440 2.967 20 30 FFEDLO O=C(C[NH+]1CCC2(CC1)CC(=O)C=CO2)Nc1ccccc1C(F)(F)F ZINC000933653465 1021060072 /nfs/dbraw/zinc/06/00/72/1021060072.db2.gz UHQUUDUCCKHUCV-UHFFFAOYSA-N 1 2 368.355 2.982 20 30 FFEDLO N#Cc1ccc(I)c(O[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC001218011646 1032952233 /nfs/dbraw/zinc/95/22/33/1032952233.db2.gz IIYMXIXMQNJTNO-LLVKDONJSA-N 1 2 364.133 2.539 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[NH2+]CC2(F)F)c(I)c1 ZINC001218011832 1032952467 /nfs/dbraw/zinc/95/24/67/1032952467.db2.gz XNNHSLRSBHPOKC-NSHDSACASA-N 1 2 364.133 2.539 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnc(C)s2)C1 ZINC001098751963 1021110252 /nfs/dbraw/zinc/11/02/52/1021110252.db2.gz AEAPBUCDLCSDNX-WFASDCNBSA-N 1 2 370.316 2.944 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnc(C)s2)C1 ZINC001098751963 1021110253 /nfs/dbraw/zinc/11/02/53/1021110253.db2.gz AEAPBUCDLCSDNX-WFASDCNBSA-N 1 2 370.316 2.944 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncc(C)cn1)C2 ZINC001098876593 1021292446 /nfs/dbraw/zinc/29/24/46/1021292446.db2.gz OCKVPNVJWOPXOW-UWJYYQICSA-N 1 2 365.481 2.557 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncc(C)cn1)C2 ZINC001098876593 1021292456 /nfs/dbraw/zinc/29/24/56/1021292456.db2.gz OCKVPNVJWOPXOW-UWJYYQICSA-N 1 2 365.481 2.557 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C3)nc1 ZINC001099128047 1021878322 /nfs/dbraw/zinc/87/83/22/1021878322.db2.gz VZCIMPXMVDZVNY-USTCVSNLSA-N 1 2 364.276 2.966 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](C/C(Cl)=C/Cl)C3)nc1 ZINC001099128047 1021878333 /nfs/dbraw/zinc/87/83/33/1021878333.db2.gz VZCIMPXMVDZVNY-USTCVSNLSA-N 1 2 364.276 2.966 20 30 FFEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001015319284 1021910855 /nfs/dbraw/zinc/91/08/55/1021910855.db2.gz RDHSHNJLGWHFPT-FRYIKTPZSA-N 1 2 372.896 2.697 20 30 FFEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001015319284 1021910862 /nfs/dbraw/zinc/91/08/62/1021910862.db2.gz RDHSHNJLGWHFPT-FRYIKTPZSA-N 1 2 372.896 2.697 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001015725881 1021941040 /nfs/dbraw/zinc/94/10/40/1021941040.db2.gz DUBIEFCDKDTRRL-QRQLOZEOSA-N 1 2 367.449 2.623 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001015725881 1021941051 /nfs/dbraw/zinc/94/10/51/1021941051.db2.gz DUBIEFCDKDTRRL-QRQLOZEOSA-N 1 2 367.449 2.623 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)c1 ZINC001015737192 1021955492 /nfs/dbraw/zinc/95/54/92/1021955492.db2.gz XUMVZANSRJWMMN-CEXWTWQISA-N 1 2 364.424 2.587 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)c1 ZINC001015737192 1021955497 /nfs/dbraw/zinc/95/54/97/1021955497.db2.gz XUMVZANSRJWMMN-CEXWTWQISA-N 1 2 364.424 2.587 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001015819080 1021967471 /nfs/dbraw/zinc/96/74/71/1021967471.db2.gz CBIJUXNLNIEMSY-BQFCYCMXSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001015819080 1021967489 /nfs/dbraw/zinc/96/74/89/1021967489.db2.gz CBIJUXNLNIEMSY-BQFCYCMXSA-N 1 2 361.486 2.860 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3cccc(C)c3o1)C2 ZINC001111468637 1022045419 /nfs/dbraw/zinc/04/54/19/1022045419.db2.gz JADVSUVLWYONSR-KURKYZTESA-N 1 2 352.434 2.726 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3cccc(C)c3o1)C2 ZINC001111468637 1022045436 /nfs/dbraw/zinc/04/54/36/1022045436.db2.gz JADVSUVLWYONSR-KURKYZTESA-N 1 2 352.434 2.726 20 30 FFEDLO C=C(C)C[NH2+][C@@H]1CN(C(=O)c2[nH]nc3ccccc32)C[C@H]1C(F)(F)F ZINC001099339775 1022325504 /nfs/dbraw/zinc/32/55/04/1022325504.db2.gz XMLDBWFLNJWKRW-TZMCWYRMSA-N 1 2 352.360 2.732 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(CCC)no3)[C@H]2C1 ZINC001222547625 1033045552 /nfs/dbraw/zinc/04/55/52/1033045552.db2.gz SJLHGEBNIQMJIN-SJORKVTESA-N 1 2 358.486 2.639 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(CCC)no3)[C@H]2C1 ZINC001222547625 1033045559 /nfs/dbraw/zinc/04/55/59/1033045559.db2.gz SJLHGEBNIQMJIN-SJORKVTESA-N 1 2 358.486 2.639 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1F ZINC001038726689 1022693380 /nfs/dbraw/zinc/69/33/80/1022693380.db2.gz WSXGGWCPCXITEU-GBESFXJTSA-N 1 2 364.424 2.587 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1F ZINC001038726689 1022693387 /nfs/dbraw/zinc/69/33/87/1022693387.db2.gz WSXGGWCPCXITEU-GBESFXJTSA-N 1 2 364.424 2.587 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1oc(CCC)nc1C ZINC001038806871 1022718017 /nfs/dbraw/zinc/71/80/17/1022718017.db2.gz CEMUFMQIZMYCOM-GJYPPUQNSA-N 1 2 361.486 2.607 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1oc(CCC)nc1C ZINC001038806871 1022718032 /nfs/dbraw/zinc/71/80/32/1022718032.db2.gz CEMUFMQIZMYCOM-GJYPPUQNSA-N 1 2 361.486 2.607 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(F)c[nH]2)C3)cc1F ZINC001095777973 1022819384 /nfs/dbraw/zinc/81/93/84/1022819384.db2.gz CQJMYMTUARRIJP-HFTRVMKXSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(F)c[nH]2)C3)cc1F ZINC001095777973 1022819397 /nfs/dbraw/zinc/81/93/97/1022819397.db2.gz CQJMYMTUARRIJP-HFTRVMKXSA-N 1 2 356.376 2.700 20 30 FFEDLO C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1nc(C#N)c(Cl)s1 ZINC001099765480 1022819476 /nfs/dbraw/zinc/81/94/76/1022819476.db2.gz UHKOZVJQGLRFQA-IVZWLZJFSA-N 1 2 364.862 2.502 20 30 FFEDLO C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1nc(C#N)c(Cl)s1 ZINC001099765480 1022819496 /nfs/dbraw/zinc/81/94/96/1022819496.db2.gz UHKOZVJQGLRFQA-IVZWLZJFSA-N 1 2 364.862 2.502 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(Br)c1)C2 ZINC001095775954 1022822258 /nfs/dbraw/zinc/82/22/58/1022822258.db2.gz HCVGNDFKYOAJJK-WOPDTQHZSA-N 1 2 358.667 2.865 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(Br)c1)C2 ZINC001095775954 1022822273 /nfs/dbraw/zinc/82/22/73/1022822273.db2.gz HCVGNDFKYOAJJK-WOPDTQHZSA-N 1 2 358.667 2.865 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC2(C[C@H]1C)CCOCC2 ZINC001122399522 1023243843 /nfs/dbraw/zinc/24/38/43/1023243843.db2.gz CKNRPCICNDIRKI-MRXNPFEDSA-N 1 2 370.501 2.574 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC([C@H]2CCOC2)CC1 ZINC001122441458 1023270944 /nfs/dbraw/zinc/27/09/44/1023270944.db2.gz SHOSXQSUXVYMHX-ZWKOTPCHSA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC([C@H]2CCOC2)CC1 ZINC001122441458 1023270955 /nfs/dbraw/zinc/27/09/55/1023270955.db2.gz SHOSXQSUXVYMHX-ZWKOTPCHSA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c([C@H](C)CCC#N)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001122526914 1023320057 /nfs/dbraw/zinc/32/00/57/1023320057.db2.gz XHPVVWNRWIKQPH-QGZVFWFLSA-N 1 2 365.485 2.983 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001122529887 1023322129 /nfs/dbraw/zinc/32/21/29/1023322129.db2.gz QYWSEHPQSPSSPU-MELADBBJSA-N 1 2 373.423 2.777 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001122529887 1023322136 /nfs/dbraw/zinc/32/21/36/1023322136.db2.gz QYWSEHPQSPSSPU-MELADBBJSA-N 1 2 373.423 2.777 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001122625316 1023375888 /nfs/dbraw/zinc/37/58/88/1023375888.db2.gz FJJRRTUWIFWJBK-MSOLQXFVSA-N 1 2 359.518 2.845 20 30 FFEDLO Cc1ccccc1-c1noc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)n1 ZINC000753829187 1023386497 /nfs/dbraw/zinc/38/64/97/1023386497.db2.gz GIHAEJMCKPFSMY-UHFFFAOYSA-N 1 2 350.378 2.817 20 30 FFEDLO CC(C)Cn1c(Nc2cnn(C)c2)nnc1C1CC[NH+](CCC#N)CC1 ZINC001122832166 1023502125 /nfs/dbraw/zinc/50/21/25/1023502125.db2.gz YTOQZDLKICDAMN-UHFFFAOYSA-N 1 2 356.478 2.504 20 30 FFEDLO C=CCc1cc(OC)cc(C[N@@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000754735753 1023509887 /nfs/dbraw/zinc/50/98/87/1023509887.db2.gz AVHCLVWHCVRIQU-QGZVFWFLSA-N 1 2 363.454 2.672 20 30 FFEDLO C=CCc1cc(OC)cc(C[N@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000754735753 1023509892 /nfs/dbraw/zinc/50/98/92/1023509892.db2.gz AVHCLVWHCVRIQU-QGZVFWFLSA-N 1 2 363.454 2.672 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc([C@H]2CCC[N@@H+]2C)n1C[C@H]1CCOC1 ZINC001123114415 1023641724 /nfs/dbraw/zinc/64/17/24/1023641724.db2.gz VJOLVQBIHLDQES-QZTJIDSGSA-N 1 2 374.533 2.847 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc([C@H]2CCC[N@H+]2C)n1C[C@H]1CCOC1 ZINC001123114415 1023641725 /nfs/dbraw/zinc/64/17/25/1023641725.db2.gz VJOLVQBIHLDQES-QZTJIDSGSA-N 1 2 374.533 2.847 20 30 FFEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000756162061 1023676004 /nfs/dbraw/zinc/67/60/04/1023676004.db2.gz XNKXFNITVIYPKN-HNNXBMFYSA-N 1 2 373.844 2.578 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(CCC#N)CC1CC1 ZINC001121492404 1023808449 /nfs/dbraw/zinc/80/84/49/1023808449.db2.gz GDNBBHWHHACUCZ-QZTJIDSGSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(CCC#N)CC1CC1 ZINC001121492404 1023808457 /nfs/dbraw/zinc/80/84/57/1023808457.db2.gz GDNBBHWHHACUCZ-QZTJIDSGSA-N 1 2 370.501 2.520 20 30 FFEDLO Cn1c(CCCC#N)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001121495094 1023810111 /nfs/dbraw/zinc/81/01/11/1023810111.db2.gz VLMYWEHUNOMGJL-UHFFFAOYSA-N 1 2 358.877 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000950597872 1023874630 /nfs/dbraw/zinc/87/46/30/1023874630.db2.gz YKDSXDKZEGXIAF-APWZRJJASA-N 1 2 364.436 2.633 20 30 FFEDLO N#C[C@H]1C[C@@H]1c1nnc(N2CCC(Nc3cccc[nH+]3)CC2)n1CC1CC1 ZINC001123589819 1023885782 /nfs/dbraw/zinc/88/57/82/1023885782.db2.gz PQMTZUUVVRJNKD-WBVHZDCISA-N 1 2 363.469 2.791 20 30 FFEDLO CN(c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1)[C@H]1CCSC1 ZINC001123633072 1023912995 /nfs/dbraw/zinc/91/29/95/1023912995.db2.gz LUAAHOPHMAXAQG-KRWDZBQOSA-N 1 2 374.558 2.723 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2C2CCCCC2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121709035 1023938581 /nfs/dbraw/zinc/93/85/81/1023938581.db2.gz PTZVOMHDDCHPRS-OPYAIIAOSA-N 1 2 373.545 2.925 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2C2CCCCC2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121709035 1023938584 /nfs/dbraw/zinc/93/85/84/1023938584.db2.gz PTZVOMHDDCHPRS-OPYAIIAOSA-N 1 2 373.545 2.925 20 30 FFEDLO C#CCN(CC)c1nnc(Cc2[nH+]ccn2Cc2ccccc2)n1CC=C ZINC001121715080 1023941945 /nfs/dbraw/zinc/94/19/45/1023941945.db2.gz OVNVDQTXGGKHAS-UHFFFAOYSA-N 1 2 360.465 2.759 20 30 FFEDLO C=C/C(C)=C/CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001218485937 1033175980 /nfs/dbraw/zinc/17/59/80/1033175980.db2.gz AMTHZZMSLLJCHG-PFWBGPJVSA-N 1 2 369.440 2.631 20 30 FFEDLO C=C/C(C)=C/CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001218485937 1033175990 /nfs/dbraw/zinc/17/59/90/1033175990.db2.gz AMTHZZMSLLJCHG-PFWBGPJVSA-N 1 2 369.440 2.631 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001101252325 1024201857 /nfs/dbraw/zinc/20/18/57/1024201857.db2.gz IGQDGASARSYFCY-QRWLVFNGSA-N 1 2 357.502 2.565 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001101252325 1024201869 /nfs/dbraw/zinc/20/18/69/1024201869.db2.gz IGQDGASARSYFCY-QRWLVFNGSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218523311 1033199025 /nfs/dbraw/zinc/19/90/25/1033199025.db2.gz KMLXTACSEOZNQB-JCGIZDLHSA-N 1 2 359.495 2.634 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218523311 1033199034 /nfs/dbraw/zinc/19/90/34/1033199034.db2.gz KMLXTACSEOZNQB-JCGIZDLHSA-N 1 2 359.495 2.634 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C5CC5)o4)C[C@@]3(C)C2)CCC1 ZINC001101354233 1024531016 /nfs/dbraw/zinc/53/10/16/1024531016.db2.gz XBKAUXOMCPGAMQ-UZLBHIALSA-N 1 2 370.497 2.974 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C5CC5)o4)C[C@@]3(C)C2)CCC1 ZINC001101354233 1024531020 /nfs/dbraw/zinc/53/10/20/1024531020.db2.gz XBKAUXOMCPGAMQ-UZLBHIALSA-N 1 2 370.497 2.974 20 30 FFEDLO CN1CC[NH+](Cc2cccc(NC(=O)c3ccccc3OCC#N)c2)CC1 ZINC000193953715 1024718018 /nfs/dbraw/zinc/71/80/18/1024718018.db2.gz YYOZYKIVHMDBFA-UHFFFAOYSA-N 1 2 364.449 2.589 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)COc2ccccc2Cl)c1 ZINC000193948242 1024718170 /nfs/dbraw/zinc/71/81/70/1024718170.db2.gz VTIJFNAAILVSSG-QGZVFWFLSA-N 1 2 372.852 2.632 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)COc2ccccc2Cl)c1 ZINC000193948242 1024718184 /nfs/dbraw/zinc/71/81/84/1024718184.db2.gz VTIJFNAAILVSSG-QGZVFWFLSA-N 1 2 372.852 2.632 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4cnn(CC)n4)C[C@@]3(C)C2)CCCC1 ZINC001101494932 1024883322 /nfs/dbraw/zinc/88/33/22/1024883322.db2.gz NINOFWBAWWKENZ-XLIONFOSSA-N 1 2 371.529 2.715 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4cnn(CC)n4)C[C@@]3(C)C2)CCCC1 ZINC001101494932 1024883337 /nfs/dbraw/zinc/88/33/37/1024883337.db2.gz NINOFWBAWWKENZ-XLIONFOSSA-N 1 2 371.529 2.715 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)sc(=O)n3C)c1 ZINC000194993561 1024932309 /nfs/dbraw/zinc/93/23/09/1024932309.db2.gz RDIWDNUAQWIRKY-UHFFFAOYSA-N 1 2 365.458 2.652 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc3c(c2)sc(=O)n3C)c1 ZINC000194993561 1024932319 /nfs/dbraw/zinc/93/23/19/1024932319.db2.gz RDIWDNUAQWIRKY-UHFFFAOYSA-N 1 2 365.458 2.652 20 30 FFEDLO C=CCCC(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2Cl)C[C@H]1C ZINC001101805030 1025065911 /nfs/dbraw/zinc/06/59/11/1025065911.db2.gz DHRLARUREOHVHA-HUUCEWRRSA-N 1 2 363.889 2.929 20 30 FFEDLO C=CCCC(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2ccccc2Cl)C[C@H]1C ZINC001101805030 1025065916 /nfs/dbraw/zinc/06/59/16/1025065916.db2.gz DHRLARUREOHVHA-HUUCEWRRSA-N 1 2 363.889 2.929 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001101988225 1025251534 /nfs/dbraw/zinc/25/15/34/1025251534.db2.gz WVYYYYVNLQKDPI-DFBGVHRSSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001101988225 1025251544 /nfs/dbraw/zinc/25/15/44/1025251544.db2.gz WVYYYYVNLQKDPI-DFBGVHRSSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001101988225 1025251553 /nfs/dbraw/zinc/25/15/53/1025251553.db2.gz WVYYYYVNLQKDPI-DFBGVHRSSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001101988225 1025251560 /nfs/dbraw/zinc/25/15/60/1025251560.db2.gz WVYYYYVNLQKDPI-DFBGVHRSSA-N 1 2 357.351 2.643 20 30 FFEDLO CC(C)(C)OC(=O)NCC1C[NH+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141106700 1025464722 /nfs/dbraw/zinc/46/47/22/1025464722.db2.gz FJTDWOUKXONHAB-UHFFFAOYSA-N 1 2 356.879 2.812 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CCC)[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102262120 1025659783 /nfs/dbraw/zinc/65/97/83/1025659783.db2.gz QDHHJGALUYGQFY-KSZLIROESA-N 1 2 358.486 2.584 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1C ZINC001102328811 1025757515 /nfs/dbraw/zinc/75/75/15/1025757515.db2.gz YEQORFOSTAPZCN-SXGZJXTBSA-N 1 2 361.534 2.889 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1C ZINC001102328811 1025757532 /nfs/dbraw/zinc/75/75/32/1025757532.db2.gz YEQORFOSTAPZCN-SXGZJXTBSA-N 1 2 361.534 2.889 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1sccc1C(N)=O ZINC000839469125 1026690310 /nfs/dbraw/zinc/69/03/10/1026690310.db2.gz JNTIFKSADZGNJK-ZDUSSCGKSA-N 1 2 373.478 2.871 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1sccc1C(N)=O ZINC000839469125 1026690314 /nfs/dbraw/zinc/69/03/14/1026690314.db2.gz JNTIFKSADZGNJK-ZDUSSCGKSA-N 1 2 373.478 2.871 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(Cl)c4c(c3)OCCO4)CC2)cn1 ZINC000839589760 1026749220 /nfs/dbraw/zinc/74/92/20/1026749220.db2.gz KYHDMRWWCSPVMU-UHFFFAOYSA-N 1 2 370.840 2.700 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)NCC[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001102921571 1026785753 /nfs/dbraw/zinc/78/57/53/1026785753.db2.gz MXPUTCFCFBFRIM-PBFPGSCMSA-N 1 2 371.934 2.698 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)NCC[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001102921571 1026785762 /nfs/dbraw/zinc/78/57/62/1026785762.db2.gz MXPUTCFCFBFRIM-PBFPGSCMSA-N 1 2 371.934 2.698 20 30 FFEDLO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000840159348 1026991606 /nfs/dbraw/zinc/99/16/06/1026991606.db2.gz HQMSTXVPMDDFCD-OAQYLSRUSA-N 1 2 371.481 2.610 20 30 FFEDLO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000840159348 1026991612 /nfs/dbraw/zinc/99/16/12/1026991612.db2.gz HQMSTXVPMDDFCD-OAQYLSRUSA-N 1 2 371.481 2.610 20 30 FFEDLO Cc1ncc(C#N)c(N2CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)n1 ZINC001158812987 1027145178 /nfs/dbraw/zinc/14/51/78/1027145178.db2.gz AZPIOBVJOSNCJH-UHFFFAOYSA-N 1 2 367.428 2.581 20 30 FFEDLO CSc1nc(C[N@@H+]2CCC[C@@H](Oc3cc(C)ncn3)C2)ccc1C#N ZINC001141945797 1027200609 /nfs/dbraw/zinc/20/06/09/1027200609.db2.gz NAAQOCHDSYCZDO-MRXNPFEDSA-N 1 2 355.467 2.817 20 30 FFEDLO CSc1nc(C[N@H+]2CCC[C@@H](Oc3cc(C)ncn3)C2)ccc1C#N ZINC001141945797 1027200612 /nfs/dbraw/zinc/20/06/12/1027200612.db2.gz NAAQOCHDSYCZDO-MRXNPFEDSA-N 1 2 355.467 2.817 20 30 FFEDLO CC(C)C[C@H](NC(=O)CO[NH+]=C(N)Cc1cccnc1)c1ccccc1 ZINC000092914476 1027505475 /nfs/dbraw/zinc/50/54/75/1027505475.db2.gz KOGOAKWHVOJOMK-SFHVURJKSA-N 1 2 354.454 2.817 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)NCCC2=CC[N@H+](Cc3cc(F)ccc3C#N)CC2)O1 ZINC001161258396 1028101014 /nfs/dbraw/zinc/10/10/14/1028101014.db2.gz NBHDHNMNAGWYGJ-FOIQADDNSA-N 1 2 371.456 2.903 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)NCCC2=CC[N@@H+](Cc3cc(F)ccc3C#N)CC2)O1 ZINC001161258396 1028101023 /nfs/dbraw/zinc/10/10/23/1028101023.db2.gz NBHDHNMNAGWYGJ-FOIQADDNSA-N 1 2 371.456 2.903 20 30 FFEDLO COc1ccc(Cn2c[nH+]cc2CNc2nc(OC)c(C#N)cc2F)cc1 ZINC001161509483 1028206340 /nfs/dbraw/zinc/20/63/40/1028206340.db2.gz AVHAFYGARGRRAD-UHFFFAOYSA-N 1 2 367.384 2.966 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2C(=O)c2cccs2)C1 ZINC001154958902 1028529338 /nfs/dbraw/zinc/52/93/38/1028529338.db2.gz MFNPYXKBTSWDGI-HNNXBMFYSA-N 1 2 352.459 2.807 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C(=O)c2cccs2)C1 ZINC001154958902 1028529342 /nfs/dbraw/zinc/52/93/42/1028529342.db2.gz MFNPYXKBTSWDGI-HNNXBMFYSA-N 1 2 352.459 2.807 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)s1 ZINC000780948204 1028889700 /nfs/dbraw/zinc/88/97/00/1028889700.db2.gz RRTGZTVOFNPYGG-LJQANCHMSA-N 1 2 369.490 2.560 20 30 FFEDLO COC(=O)Cc1cc(NC(=NO)c2ccc(OC(F)(F)F)cc2)cc[nH+]1 ZINC001163769321 1029054429 /nfs/dbraw/zinc/05/44/29/1029054429.db2.gz VIKPTBKCSBXJDU-UHFFFAOYSA-N 1 2 369.299 2.944 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(CC)s1)C2 ZINC001111713002 1029214257 /nfs/dbraw/zinc/21/42/57/1029214257.db2.gz POIVQHOKYALTLK-KXBFYZLASA-N 1 2 360.527 2.765 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(CC)s1)C2 ZINC001111713002 1029214272 /nfs/dbraw/zinc/21/42/72/1029214272.db2.gz POIVQHOKYALTLK-KXBFYZLASA-N 1 2 360.527 2.765 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C#CC2CC2)C1 ZINC001111741006 1029306335 /nfs/dbraw/zinc/30/63/35/1029306335.db2.gz XVHXJNLSJIHLEI-RXVVDRJESA-N 1 2 351.425 2.581 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C#CC2CC2)C1 ZINC001111741006 1029306337 /nfs/dbraw/zinc/30/63/37/1029306337.db2.gz XVHXJNLSJIHLEI-RXVVDRJESA-N 1 2 351.425 2.581 20 30 FFEDLO CCN(CC)C(=O)[C@@H](C)Nc1cc(/C=N/[S@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001164609917 1029343811 /nfs/dbraw/zinc/34/38/11/1029343811.db2.gz BEENATZQJFEBST-DKNCSLNQSA-N 1 2 366.531 2.940 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)n1CC)C2 ZINC001111757917 1029359857 /nfs/dbraw/zinc/35/98/57/1029359857.db2.gz UGUAELRFUMQZAR-RXVVDRJESA-N 1 2 371.529 2.846 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)n1CC)C2 ZINC001111757917 1029359872 /nfs/dbraw/zinc/35/98/72/1029359872.db2.gz UGUAELRFUMQZAR-RXVVDRJESA-N 1 2 371.529 2.846 20 30 FFEDLO N#Cc1cnnc(-c2ccccc2)c1NC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156964242 1029424560 /nfs/dbraw/zinc/42/45/60/1029424560.db2.gz HVUQFBLFXUSPMQ-UHFFFAOYSA-N 1 2 355.361 2.726 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(C(C)(C)C)nn1)C2 ZINC001111858989 1029630573 /nfs/dbraw/zinc/63/05/73/1029630573.db2.gz ITUGAVYCVAAEMF-JXFKEZNVSA-N 1 2 359.518 2.860 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(C(C)(C)C)nn1)C2 ZINC001111858989 1029630580 /nfs/dbraw/zinc/63/05/80/1029630580.db2.gz ITUGAVYCVAAEMF-JXFKEZNVSA-N 1 2 359.518 2.860 20 30 FFEDLO N#Cc1c[nH]c2cc[nH+]c(N3CC[C@@H](N4Cc5c(cccc5F)C4=O)C3)c12 ZINC001158135094 1029742448 /nfs/dbraw/zinc/74/24/48/1029742448.db2.gz XMGGHJUTRVEFNJ-CYBMUJFWSA-N 1 2 361.380 2.808 20 30 FFEDLO C=C[C@H](CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnon1)C2)c1ccccc1 ZINC001111999402 1029849092 /nfs/dbraw/zinc/84/90/92/1029849092.db2.gz HEEIMMMUDZBFKL-MMOPVJDHSA-N 1 2 366.465 2.900 20 30 FFEDLO C=C[C@H](CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnon1)C2)c1ccccc1 ZINC001111999402 1029849100 /nfs/dbraw/zinc/84/91/00/1029849100.db2.gz HEEIMMMUDZBFKL-MMOPVJDHSA-N 1 2 366.465 2.900 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C/C(Cl)=C\Cl)C1 ZINC001112099749 1030002818 /nfs/dbraw/zinc/00/28/18/1030002818.db2.gz IWZPCPMAFQMREN-VDUSXYPOSA-N 1 2 357.203 2.944 20 30 FFEDLO C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001112104642 1030015067 /nfs/dbraw/zinc/01/50/67/1030015067.db2.gz VOTZFPFSSVWPPC-BBBLOLIVSA-N 1 2 350.278 2.832 20 30 FFEDLO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001112104642 1030015084 /nfs/dbraw/zinc/01/50/84/1030015084.db2.gz VOTZFPFSSVWPPC-BBBLOLIVSA-N 1 2 350.278 2.832 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC001112109540 1030027310 /nfs/dbraw/zinc/02/73/10/1030027310.db2.gz UZNBFHFLDYPFJZ-HUUCEWRRSA-N 1 2 358.408 2.564 20 30 FFEDLO N#Cc1cc2c(nc1N1Cc3c[nH+]cn3C[C@@H](COCC3CC3)C1)CCC2 ZINC001165690318 1030084016 /nfs/dbraw/zinc/08/40/16/1030084016.db2.gz IITMHABNCUEOQK-INIZCTEOSA-N 1 2 363.465 2.701 20 30 FFEDLO Cc1cc(C#N)cc(N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)n1 ZINC001165740201 1030105797 /nfs/dbraw/zinc/10/57/97/1030105797.db2.gz ADDYQZLIIIJHGM-KRWDZBQOSA-N 1 2 360.421 2.569 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nccn2C)C1 ZINC001112152495 1030108031 /nfs/dbraw/zinc/10/80/31/1030108031.db2.gz ZEVVFLFYKRFGEI-MGPQQGTHSA-N 1 2 358.408 2.501 20 30 FFEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842890718 1031023487 /nfs/dbraw/zinc/02/34/87/1031023487.db2.gz KEKKETPNWFBYCW-UHFFFAOYSA-N 1 2 362.389 2.939 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)OCC2CN(c3cccc[nH+]3)C2)cc1 ZINC000842888486 1031023795 /nfs/dbraw/zinc/02/37/95/1031023795.db2.gz NFHBUYDHKPWYIT-IBGZPJMESA-N 1 2 362.433 2.602 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1c(C)[nH]c2ccccc21 ZINC001204289996 1031210234 /nfs/dbraw/zinc/21/02/34/1031210234.db2.gz PFVQHLGRYCUWLN-IBGZPJMESA-N 1 2 351.454 2.907 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1c(C)[nH]c2ccccc21 ZINC001204289996 1031210242 /nfs/dbraw/zinc/21/02/42/1031210242.db2.gz PFVQHLGRYCUWLN-IBGZPJMESA-N 1 2 351.454 2.907 20 30 FFEDLO N#CC1(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)CCOCC1 ZINC000798130656 1031314913 /nfs/dbraw/zinc/31/49/13/1031314913.db2.gz XRJQBORASVSTKT-HNNXBMFYSA-N 1 2 356.470 2.751 20 30 FFEDLO N#CC1(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)CCOCC1 ZINC000798130656 1031314925 /nfs/dbraw/zinc/31/49/25/1031314925.db2.gz XRJQBORASVSTKT-HNNXBMFYSA-N 1 2 356.470 2.751 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3OCC)C[C@@H]2C)cn1 ZINC000799426243 1031771940 /nfs/dbraw/zinc/77/19/40/1031771940.db2.gz YNGDPFJVBDEUPW-KRWDZBQOSA-N 1 2 363.461 2.808 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3OCC)C[C@@H]2C)cn1 ZINC000799426243 1031771952 /nfs/dbraw/zinc/77/19/52/1031771952.db2.gz YNGDPFJVBDEUPW-KRWDZBQOSA-N 1 2 363.461 2.808 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001205563249 1031837576 /nfs/dbraw/zinc/83/75/76/1031837576.db2.gz LVNVLWFGTXBBJZ-DOTOQJQBSA-N 1 2 360.458 2.728 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C(C)C)o3)[C@H]2C1 ZINC001223309224 1033384763 /nfs/dbraw/zinc/38/47/63/1033384763.db2.gz CTPFBIPSWNLSOX-SJORKVTESA-N 1 2 358.486 2.809 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C(C)C)o3)[C@H]2C1 ZINC001223309224 1033384774 /nfs/dbraw/zinc/38/47/74/1033384774.db2.gz CTPFBIPSWNLSOX-SJORKVTESA-N 1 2 358.486 2.809 20 30 FFEDLO CCCCCCC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001219016579 1033465853 /nfs/dbraw/zinc/46/58/53/1033465853.db2.gz JKCVUYYYGKHHRP-LEWJYISDSA-N 1 2 354.494 2.920 20 30 FFEDLO CCCCCCC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001219016579 1033465857 /nfs/dbraw/zinc/46/58/57/1033465857.db2.gz JKCVUYYYGKHHRP-LEWJYISDSA-N 1 2 354.494 2.920 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3C[C@]32C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001276802834 1033544604 /nfs/dbraw/zinc/54/46/04/1033544604.db2.gz ILPYZCGKLZIBLT-VBKZILBWSA-N 1 2 350.422 2.620 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc3ccccc3o2)C[C@@H]1O ZINC001219689672 1033751846 /nfs/dbraw/zinc/75/18/46/1033751846.db2.gz CWGDOQYQNRZYMH-QGTPRVQTSA-N 1 2 369.465 2.819 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc3ccccc3o2)C[C@@H]1O ZINC001219689672 1033751853 /nfs/dbraw/zinc/75/18/53/1033751853.db2.gz CWGDOQYQNRZYMH-QGTPRVQTSA-N 1 2 369.465 2.819 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cnn(C)n4)[C@H]3C2)CCCCC1 ZINC001224207674 1033774456 /nfs/dbraw/zinc/77/44/56/1033774456.db2.gz HJPNYHGKPKDHJQ-MJGOQNOKSA-N 1 2 371.529 2.765 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4cnn(C)n4)[C@H]3C2)CCCCC1 ZINC001224207674 1033774467 /nfs/dbraw/zinc/77/44/67/1033774467.db2.gz HJPNYHGKPKDHJQ-MJGOQNOKSA-N 1 2 371.529 2.765 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)cc2F)C[C@@H]1O ZINC001219709255 1033778212 /nfs/dbraw/zinc/77/82/12/1033778212.db2.gz XFASCMGECYXMQE-JLZZUVOBSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)cc2F)C[C@@H]1O ZINC001219709255 1033778224 /nfs/dbraw/zinc/77/82/24/1033778224.db2.gz XFASCMGECYXMQE-JLZZUVOBSA-N 1 2 352.425 2.789 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@@H]1O ZINC001219720051 1033787387 /nfs/dbraw/zinc/78/73/87/1033787387.db2.gz AHPQRUXUSGOCJK-SJORKVTESA-N 1 2 354.853 2.539 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)C[C@@H]1O ZINC001219720051 1033787396 /nfs/dbraw/zinc/78/73/96/1033787396.db2.gz AHPQRUXUSGOCJK-SJORKVTESA-N 1 2 354.853 2.539 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3coc(C4CC4)n3)[C@H]2C1 ZINC001224281419 1033826517 /nfs/dbraw/zinc/82/65/17/1033826517.db2.gz ZCFWKVQPLJWQRN-DAYGRLMNSA-N 1 2 359.470 2.566 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3coc(C4CC4)n3)[C@H]2C1 ZINC001224281419 1033826536 /nfs/dbraw/zinc/82/65/36/1033826536.db2.gz ZCFWKVQPLJWQRN-DAYGRLMNSA-N 1 2 359.470 2.566 20 30 FFEDLO C=C(C)CN1CC2(C[NH+](CCc3cccc4ccccc43)C2)OCC1=O ZINC001276988526 1033963316 /nfs/dbraw/zinc/96/33/16/1033963316.db2.gz AJQAWIOTQSQYNQ-UHFFFAOYSA-N 1 2 350.462 2.872 20 30 FFEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)c(O)c(Cl)c1)CC2 ZINC001276991926 1033981383 /nfs/dbraw/zinc/98/13/83/1033981383.db2.gz HEPCSXLPBBBVCU-ZDUSSCGKSA-N 1 2 350.821 2.536 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc3ccccc3o2)C[C@@H]1O ZINC001220133557 1033997749 /nfs/dbraw/zinc/99/77/49/1033997749.db2.gz FGQGRALJAPHRHT-BMFZPTHFSA-N 1 2 357.454 2.652 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc3ccccc3o2)C[C@@H]1O ZINC001220133557 1033997757 /nfs/dbraw/zinc/99/77/57/1033997757.db2.gz FGQGRALJAPHRHT-BMFZPTHFSA-N 1 2 357.454 2.652 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1c(C)n(C)c2ccccc21 ZINC001138254298 1034024796 /nfs/dbraw/zinc/02/47/96/1034024796.db2.gz VUPAQALFTIMXAC-HXUWFJFHSA-N 1 2 365.481 2.917 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1c(C)n(C)c2ccccc21 ZINC001138254298 1034024808 /nfs/dbraw/zinc/02/48/08/1034024808.db2.gz VUPAQALFTIMXAC-HXUWFJFHSA-N 1 2 365.481 2.917 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C(C)C)n3)C[C@@H]2O)CCC1 ZINC001220278861 1034093895 /nfs/dbraw/zinc/09/38/95/1034093895.db2.gz OEMVXKWAEQNSPI-MOPGFXCFSA-N 1 2 357.498 2.613 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C(C)C)n3)C[C@@H]2O)CCC1 ZINC001220278861 1034093900 /nfs/dbraw/zinc/09/39/00/1034093900.db2.gz OEMVXKWAEQNSPI-MOPGFXCFSA-N 1 2 357.498 2.613 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](Cc3cc(C)ns3)C[C@@H]2O)CCCCC1 ZINC001220526180 1034238030 /nfs/dbraw/zinc/23/80/30/1034238030.db2.gz MGMGPLKIVVDETN-SJORKVTESA-N 1 2 363.527 2.639 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ns3)C[C@@H]2O)CCCCC1 ZINC001220526180 1034238043 /nfs/dbraw/zinc/23/80/43/1034238043.db2.gz MGMGPLKIVVDETN-SJORKVTESA-N 1 2 363.527 2.639 20 30 FFEDLO C#CCOc1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001225522331 1034289148 /nfs/dbraw/zinc/28/91/48/1034289148.db2.gz WWERDIFTMBFYOS-UHFFFAOYSA-N 1 2 360.417 2.884 20 30 FFEDLO CC[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O)C(C)(C)C ZINC001220746734 1034370977 /nfs/dbraw/zinc/37/09/77/1034370977.db2.gz LLLQGUKCHXCHFJ-XKQJLSEDSA-N 1 2 363.527 2.743 20 30 FFEDLO CC[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O)C(C)(C)C ZINC001220746734 1034370994 /nfs/dbraw/zinc/37/09/94/1034370994.db2.gz LLLQGUKCHXCHFJ-XKQJLSEDSA-N 1 2 363.527 2.743 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@@H]1O ZINC001220835149 1034419386 /nfs/dbraw/zinc/41/93/86/1034419386.db2.gz VBDCTRFFPDHTCH-MSOLQXFVSA-N 1 2 363.502 2.502 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)C[C@@H]1O ZINC001220835149 1034419392 /nfs/dbraw/zinc/41/93/92/1034419392.db2.gz VBDCTRFFPDHTCH-MSOLQXFVSA-N 1 2 363.502 2.502 20 30 FFEDLO C=CCc1cccc(C[NH+]2CC3(C2)CN(C(=O)OC(C)(C)C)CCO3)c1O ZINC001138625190 1034477999 /nfs/dbraw/zinc/47/79/99/1034477999.db2.gz GWWCOYSLSILETL-UHFFFAOYSA-N 1 2 374.481 2.942 20 30 FFEDLO N#CCSCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)cc3Cl)C[C@H]21 ZINC001221288943 1034651091 /nfs/dbraw/zinc/65/10/91/1034651091.db2.gz BOTNGLOZDHNRAO-CZUORRHYSA-N 1 2 367.877 2.769 20 30 FFEDLO N#CCSCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)cc3Cl)C[C@H]21 ZINC001221288943 1034651097 /nfs/dbraw/zinc/65/10/97/1034651097.db2.gz BOTNGLOZDHNRAO-CZUORRHYSA-N 1 2 367.877 2.769 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H](C)CC)[C@@H]3C2)c1 ZINC001221510739 1034828323 /nfs/dbraw/zinc/82/83/23/1034828323.db2.gz DPXUFKHTTOFEQF-ILZDJORESA-N 1 2 367.493 2.575 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)C[C@@H](C)CC)[C@@H]3C2)c1 ZINC001221510739 1034828332 /nfs/dbraw/zinc/82/83/32/1034828332.db2.gz DPXUFKHTTOFEQF-ILZDJORESA-N 1 2 367.493 2.575 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C)C[C@H]21 ZINC001221512581 1034829980 /nfs/dbraw/zinc/82/99/80/1034829980.db2.gz HEMHYMVBSFGSKH-QWFCFKBJSA-N 1 2 367.493 2.658 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3C)C[C@H]21 ZINC001221512581 1034829990 /nfs/dbraw/zinc/82/99/90/1034829990.db2.gz HEMHYMVBSFGSKH-QWFCFKBJSA-N 1 2 367.493 2.658 20 30 FFEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1n[nH]cc1Br)C2 ZINC001139023629 1034889950 /nfs/dbraw/zinc/88/99/50/1034889950.db2.gz PPMMHXOPHMIRNS-HZPDHXFCSA-N 1 2 370.291 2.746 20 30 FFEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1n[nH]cc1Br)C2 ZINC001139023629 1034889961 /nfs/dbraw/zinc/88/99/61/1034889961.db2.gz PPMMHXOPHMIRNS-HZPDHXFCSA-N 1 2 370.291 2.746 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccc(C)cc3)C[C@H]21 ZINC001221582024 1034895254 /nfs/dbraw/zinc/89/52/54/1034895254.db2.gz DRDBXMIPRUUGKZ-IEBWSBKVSA-N 1 2 355.482 2.823 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccc(C)cc3)C[C@H]21 ZINC001221582024 1034895259 /nfs/dbraw/zinc/89/52/59/1034895259.db2.gz DRDBXMIPRUUGKZ-IEBWSBKVSA-N 1 2 355.482 2.823 20 30 FFEDLO CCC[C@@H](OC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221733351 1035021855 /nfs/dbraw/zinc/02/18/55/1035021855.db2.gz NPABKAATJLXBRP-ATZDWAIDSA-N 1 2 359.445 2.545 20 30 FFEDLO CCC[C@@H](OC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221733351 1035021862 /nfs/dbraw/zinc/02/18/62/1035021862.db2.gz NPABKAATJLXBRP-ATZDWAIDSA-N 1 2 359.445 2.545 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3)C[C@H]21 ZINC001221752198 1035036829 /nfs/dbraw/zinc/03/68/29/1035036829.db2.gz JYIJLNGVVHQOCC-NLWGTHIKSA-N 1 2 367.493 2.740 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3)C[C@H]21 ZINC001221752198 1035036834 /nfs/dbraw/zinc/03/68/34/1035036834.db2.gz JYIJLNGVVHQOCC-NLWGTHIKSA-N 1 2 367.493 2.740 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001221760301 1035044743 /nfs/dbraw/zinc/04/47/43/1035044743.db2.gz BMCRMGGMXLPYRQ-SQGPQFPESA-N 1 2 356.514 2.854 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001221760301 1035044750 /nfs/dbraw/zinc/04/47/50/1035044750.db2.gz BMCRMGGMXLPYRQ-SQGPQFPESA-N 1 2 356.514 2.854 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N[C@H](C)CCC)C[C@H]32)CCC1 ZINC001221798111 1035078465 /nfs/dbraw/zinc/07/84/65/1035078465.db2.gz WZXXYLZEONNTDF-KZNAEPCWSA-N 1 2 361.530 2.570 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](CC(=O)N[C@H](C)CCC)C[C@H]32)CCC1 ZINC001221798111 1035078468 /nfs/dbraw/zinc/07/84/68/1035078468.db2.gz WZXXYLZEONNTDF-KZNAEPCWSA-N 1 2 361.530 2.570 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C[NH+]3CCN(c4cccnn4)CC3)cn2)cc1 ZINC001139425429 1035103352 /nfs/dbraw/zinc/10/33/52/1035103352.db2.gz NXYAYJXXZMBFHN-UHFFFAOYSA-N 1 2 372.432 2.858 20 30 FFEDLO N#Cc1ccc(C[N@H+]2Cc3cncn3C[C@@H](COCC3CC3)C2)cc1F ZINC001139527983 1035147754 /nfs/dbraw/zinc/14/77/54/1035147754.db2.gz KCCXHSSVFAJHRK-KRWDZBQOSA-N 1 2 354.429 2.952 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2Cc3cncn3C[C@@H](COCC3CC3)C2)cc1F ZINC001139527983 1035147758 /nfs/dbraw/zinc/14/77/58/1035147758.db2.gz KCCXHSSVFAJHRK-KRWDZBQOSA-N 1 2 354.429 2.952 20 30 FFEDLO C=CCn1cc(C[N@@H+]2Cc3nn(CC4CC4)cc3[C@@H](COCC)C2)cn1 ZINC001139769641 1035225954 /nfs/dbraw/zinc/22/59/54/1035225954.db2.gz MCFOMDWWJRSTLY-GOSISDBHSA-N 1 2 355.486 2.812 20 30 FFEDLO C=CCn1cc(C[N@H+]2Cc3nn(CC4CC4)cc3[C@@H](COCC)C2)cn1 ZINC001139769641 1035225956 /nfs/dbraw/zinc/22/59/56/1035225956.db2.gz MCFOMDWWJRSTLY-GOSISDBHSA-N 1 2 355.486 2.812 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](Cc2c[nH]c3ncnc(Cl)c23)CC1 ZINC001139933787 1035282539 /nfs/dbraw/zinc/28/25/39/1035282539.db2.gz RAHQOADCYWQSPL-UHFFFAOYSA-N 1 2 352.829 2.757 20 30 FFEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1n[nH]c3ccc(OC)cc31)C2 ZINC001140067164 1035330017 /nfs/dbraw/zinc/33/00/17/1035330017.db2.gz IYWYOPQIBBRYRL-OXQOHEQNSA-N 1 2 357.454 2.898 20 30 FFEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1n[nH]c3ccc(OC)cc31)C2 ZINC001140067164 1035330023 /nfs/dbraw/zinc/33/00/23/1035330023.db2.gz IYWYOPQIBBRYRL-OXQOHEQNSA-N 1 2 357.454 2.898 20 30 FFEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1n[nH]c3ccc(OC)cc31)C2 ZINC001140067165 1035330280 /nfs/dbraw/zinc/33/02/80/1035330280.db2.gz IYWYOPQIBBRYRL-UZLBHIALSA-N 1 2 357.454 2.898 20 30 FFEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1n[nH]c3ccc(OC)cc31)C2 ZINC001140067165 1035330282 /nfs/dbraw/zinc/33/02/82/1035330282.db2.gz IYWYOPQIBBRYRL-UZLBHIALSA-N 1 2 357.454 2.898 20 30 FFEDLO COC(=O)c1c(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)c2ccccc2n1C ZINC001232400270 1035650379 /nfs/dbraw/zinc/65/03/79/1035650379.db2.gz CSEHBOYCYVNWGJ-MRXNPFEDSA-N 1 2 356.447 2.739 20 30 FFEDLO COC(=O)c1c(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c2ccccc2n1C ZINC001232400270 1035650389 /nfs/dbraw/zinc/65/03/89/1035650389.db2.gz CSEHBOYCYVNWGJ-MRXNPFEDSA-N 1 2 356.447 2.739 20 30 FFEDLO COc1cc(C)nc(O[C@H]2CC[N@H+](Cc3cc(F)c(C#N)c(F)c3)C2)n1 ZINC001140755416 1036068490 /nfs/dbraw/zinc/06/84/90/1036068490.db2.gz DUBXBUCZTOHQLJ-ZDUSSCGKSA-N 1 2 360.364 2.597 20 30 FFEDLO COc1cc(C)nc(O[C@H]2CC[N@@H+](Cc3cc(F)c(C#N)c(F)c3)C2)n1 ZINC001140755416 1036068506 /nfs/dbraw/zinc/06/85/06/1036068506.db2.gz DUBXBUCZTOHQLJ-ZDUSSCGKSA-N 1 2 360.364 2.597 20 30 FFEDLO N#Cc1c(F)cc(C[NH+]2CCC(NC(=O)c3ccccn3)CC2)cc1F ZINC001140755569 1036068734 /nfs/dbraw/zinc/06/87/34/1036068734.db2.gz LEWZAESMTXSWOM-UHFFFAOYSA-N 1 2 356.376 2.626 20 30 FFEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3cc(Br)ccn3)CC2)nc1 ZINC001140765932 1036087742 /nfs/dbraw/zinc/08/77/42/1036087742.db2.gz RLGRFEKGHQPENR-UHFFFAOYSA-N 1 2 372.270 2.823 20 30 FFEDLO N#Cc1ccc(N2CCC[N@H+](Cc3cc(Br)ccn3)CC2)nc1 ZINC001140765932 1036087753 /nfs/dbraw/zinc/08/77/53/1036087753.db2.gz RLGRFEKGHQPENR-UHFFFAOYSA-N 1 2 372.270 2.823 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001228413138 1036099432 /nfs/dbraw/zinc/09/94/32/1036099432.db2.gz HJDVARGTJPHKCK-CLCXKQKWSA-N 1 2 362.522 2.547 20 30 FFEDLO N#Cc1ccc(CN2Cc3c[nH+]cn3C[C@H](COc3ccccn3)C2)s1 ZINC001232843418 1036101321 /nfs/dbraw/zinc/10/13/21/1036101321.db2.gz NTUZYCLRKHUERN-OAHLLOKOSA-N 1 2 365.462 2.922 20 30 FFEDLO COc1cccc(OC)c1CN1CCC([N@H+](C)Cc2[nH]ccc2C#N)CC1 ZINC001233044237 1036289033 /nfs/dbraw/zinc/28/90/33/1036289033.db2.gz LGKFKPLSNFTIQK-UHFFFAOYSA-N 1 2 368.481 3.000 20 30 FFEDLO COc1cccc(OC)c1CN1CCC([N@@H+](C)Cc2[nH]ccc2C#N)CC1 ZINC001233044237 1036289046 /nfs/dbraw/zinc/28/90/46/1036289046.db2.gz LGKFKPLSNFTIQK-UHFFFAOYSA-N 1 2 368.481 3.000 20 30 FFEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001233045296 1036292812 /nfs/dbraw/zinc/29/28/12/1036292812.db2.gz UTNCDHJILUQHCY-HNAYVOBHSA-N 1 2 356.401 2.623 20 30 FFEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001233045296 1036292830 /nfs/dbraw/zinc/29/28/30/1036292830.db2.gz UTNCDHJILUQHCY-HNAYVOBHSA-N 1 2 356.401 2.623 20 30 FFEDLO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1nc3ccccn3n1)[C@H]2CC ZINC001233071510 1036315089 /nfs/dbraw/zinc/31/50/89/1036315089.db2.gz QDMZENFETFLQRY-JXFKEZNVSA-N 1 2 353.470 2.651 20 30 FFEDLO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1nc3ccccn3n1)[C@H]2CC ZINC001233071510 1036315103 /nfs/dbraw/zinc/31/51/03/1036315103.db2.gz QDMZENFETFLQRY-JXFKEZNVSA-N 1 2 353.470 2.651 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncnc4cc(Cl)c(Cl)cc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234024741 1036878175 /nfs/dbraw/zinc/87/81/75/1036878175.db2.gz ANJHCEFNDZLKLW-PEXMSHKASA-N 1 2 352.221 2.928 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncnc4cc(Cl)c(Cl)cc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234024741 1036878198 /nfs/dbraw/zinc/87/81/98/1036878198.db2.gz ANJHCEFNDZLKLW-PEXMSHKASA-N 1 2 352.221 2.928 20 30 FFEDLO C=CCCCCCC[C@H](O)C[NH+]1CC2(C1)CN([C@@H](C)CC)C(=O)CO2 ZINC001277840223 1036965338 /nfs/dbraw/zinc/96/53/38/1036965338.db2.gz AEBRWRWMMLPTAU-ROUUACIJSA-N 1 2 352.519 2.586 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc(C)no2)C[C@H]1C ZINC001206966777 1036992868 /nfs/dbraw/zinc/99/28/68/1036992868.db2.gz XCOWXABYCVFGRS-BFYDXBDKSA-N 1 2 364.490 2.639 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc(C)no2)C[C@H]1C ZINC001206966777 1036992882 /nfs/dbraw/zinc/99/28/82/1036992882.db2.gz XCOWXABYCVFGRS-BFYDXBDKSA-N 1 2 364.490 2.639 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Br)[nH]1 ZINC001277854252 1037021336 /nfs/dbraw/zinc/02/13/36/1037021336.db2.gz BWWAPQQGQQWFIZ-ZIAGYGMSSA-N 1 2 352.276 2.919 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Br)[nH]1 ZINC001277854252 1037021353 /nfs/dbraw/zinc/02/13/53/1037021353.db2.gz BWWAPQQGQQWFIZ-ZIAGYGMSSA-N 1 2 352.276 2.919 20 30 FFEDLO C#C[C@@H](Oc1nc(=O)[nH]c2c1CC[N@H+](Cc1ccccc1)C2)c1ccncc1 ZINC001230186128 1037134114 /nfs/dbraw/zinc/13/41/14/1037134114.db2.gz LFKVIKZHQCVZHX-HXUWFJFHSA-N 1 2 372.428 2.889 20 30 FFEDLO C#C[C@@H](Oc1nc(=O)[nH]c2c1CC[N@@H+](Cc1ccccc1)C2)c1ccncc1 ZINC001230186128 1037134124 /nfs/dbraw/zinc/13/41/24/1037134124.db2.gz LFKVIKZHQCVZHX-HXUWFJFHSA-N 1 2 372.428 2.889 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)Cc2c1cnn2CC1CC1 ZINC001207104037 1037149716 /nfs/dbraw/zinc/14/97/16/1037149716.db2.gz IABAFJNTNSKVRK-KRWDZBQOSA-N 1 2 353.470 2.639 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)Cc2c1cnn2CC1CC1 ZINC001207104037 1037149721 /nfs/dbraw/zinc/14/97/21/1037149721.db2.gz IABAFJNTNSKVRK-KRWDZBQOSA-N 1 2 353.470 2.639 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc(CC)no2)C[C@H]1C ZINC001207153427 1037198334 /nfs/dbraw/zinc/19/83/34/1037198334.db2.gz ZHTJHUMDIXLTIV-NTZNESFSSA-N 1 2 354.882 2.908 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc(CC)no2)C[C@H]1C ZINC001207153427 1037198345 /nfs/dbraw/zinc/19/83/45/1037198345.db2.gz ZHTJHUMDIXLTIV-NTZNESFSSA-N 1 2 354.882 2.908 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(CC(F)(F)F)n2)C[C@H]1C ZINC001207215348 1037251278 /nfs/dbraw/zinc/25/12/78/1037251278.db2.gz FYOSWXAVXJTJQD-UKRRQHHQSA-N 1 2 358.408 2.738 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccn(CC(F)(F)F)n2)C[C@H]1C ZINC001207215348 1037251287 /nfs/dbraw/zinc/25/12/87/1037251287.db2.gz FYOSWXAVXJTJQD-UKRRQHHQSA-N 1 2 358.408 2.738 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@](C)(OC)c2ccccc2F)C1 ZINC001207437881 1037443163 /nfs/dbraw/zinc/44/31/63/1037443163.db2.gz HPTQXKSTUQXIAE-NJAPINKUSA-N 1 2 354.853 2.876 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@](C)(OC)c2ccccc2F)C1 ZINC001207437881 1037443166 /nfs/dbraw/zinc/44/31/66/1037443166.db2.gz HPTQXKSTUQXIAE-NJAPINKUSA-N 1 2 354.853 2.876 20 30 FFEDLO COCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(Cl)cc(C#N)c2)C1=O ZINC001277488185 1037474629 /nfs/dbraw/zinc/47/46/29/1037474629.db2.gz ZMCOQLLDBKFVAT-LJQANCHMSA-N 1 2 361.873 2.815 20 30 FFEDLO COCCCN1CC[C@]2(CCC[N@H+]2Cc2cc(Cl)cc(C#N)c2)C1=O ZINC001277488185 1037474640 /nfs/dbraw/zinc/47/46/40/1037474640.db2.gz ZMCOQLLDBKFVAT-LJQANCHMSA-N 1 2 361.873 2.815 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)OCC1=O ZINC001277511045 1037553435 /nfs/dbraw/zinc/55/34/35/1037553435.db2.gz UQHHEHYCQMADAE-SFHVURJKSA-N 1 2 368.836 2.564 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)OCC1=O ZINC001277511045 1037553448 /nfs/dbraw/zinc/55/34/48/1037553448.db2.gz UQHHEHYCQMADAE-SFHVURJKSA-N 1 2 368.836 2.564 20 30 FFEDLO C#CC[NH+]1CCN(Cc2c(Cl)cccc2I)CC1 ZINC001235572424 1037627272 /nfs/dbraw/zinc/62/72/72/1037627272.db2.gz PGICWSJRVCLDLO-UHFFFAOYSA-N 1 2 374.653 2.695 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC)Cc2c1cnn2CC ZINC001231618758 1037739025 /nfs/dbraw/zinc/73/90/25/1037739025.db2.gz KXEXARTWJGNEOW-KRWDZBQOSA-N 1 2 354.454 2.919 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)Cc2c1cnn2CC ZINC001231618758 1037739041 /nfs/dbraw/zinc/73/90/41/1037739041.db2.gz KXEXARTWJGNEOW-KRWDZBQOSA-N 1 2 354.454 2.919 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Br)c(O)c1 ZINC001277547901 1037785678 /nfs/dbraw/zinc/78/56/78/1037785678.db2.gz KFQGJPABIQVJBQ-HUUCEWRRSA-N 1 2 365.271 2.906 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Br)c(O)c1 ZINC001277547901 1037785696 /nfs/dbraw/zinc/78/56/96/1037785696.db2.gz KFQGJPABIQVJBQ-HUUCEWRRSA-N 1 2 365.271 2.906 20 30 FFEDLO N#Cc1cccc(C#N)c1Nc1ccc(N2CCN(C(=O)C3CC3)CC2)[nH+]c1 ZINC001255902944 1038236918 /nfs/dbraw/zinc/23/69/18/1038236918.db2.gz ZHJYGLXRWSNHKW-UHFFFAOYSA-N 1 2 372.432 2.627 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)Cc2ccsc2)c1 ZINC001278895657 1038246636 /nfs/dbraw/zinc/24/66/36/1038246636.db2.gz YNRDOAVGEJXDKW-ROUUACIJSA-N 1 2 367.474 2.743 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)Cc2ccsc2)c1 ZINC001278895657 1038246646 /nfs/dbraw/zinc/24/66/46/1038246646.db2.gz YNRDOAVGEJXDKW-ROUUACIJSA-N 1 2 367.474 2.743 20 30 FFEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(O)c(F)c(F)c1)CC2 ZINC001278009235 1038263891 /nfs/dbraw/zinc/26/38/91/1038263891.db2.gz LSNDDIFVZDSDRQ-AWEZNQCLSA-N 1 2 350.409 2.965 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccco3)no2)C[C@H]1C ZINC001208388678 1038273434 /nfs/dbraw/zinc/27/34/34/1038273434.db2.gz OHWHARHVDDJXFZ-RRFJBIMHSA-N 1 2 358.442 2.868 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccco3)no2)C[C@H]1C ZINC001208388678 1038273439 /nfs/dbraw/zinc/27/34/39/1038273439.db2.gz OHWHARHVDDJXFZ-RRFJBIMHSA-N 1 2 358.442 2.868 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[C@H](C=C)CC)C2)c1 ZINC001208393186 1038279415 /nfs/dbraw/zinc/27/94/15/1038279415.db2.gz KECYRXYDQGGKAK-MBOZVWFJSA-N 1 2 367.493 2.645 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C[C@H](C=C)CC)C2)c1 ZINC001208393186 1038279419 /nfs/dbraw/zinc/27/94/19/1038279419.db2.gz KECYRXYDQGGKAK-MBOZVWFJSA-N 1 2 367.493 2.645 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cc(F)cc(F)c2)C[C@H]1C ZINC001208458318 1038328347 /nfs/dbraw/zinc/32/83/47/1038328347.db2.gz CWZQERBRVWGULP-CXAGYDPISA-N 1 2 365.424 2.696 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cc(F)cc(F)c2)C[C@H]1C ZINC001208458318 1038328360 /nfs/dbraw/zinc/32/83/60/1038328360.db2.gz CWZQERBRVWGULP-CXAGYDPISA-N 1 2 365.424 2.696 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cc4n(n3)CCCC4)C[C@H]2C)CCC1 ZINC001208517679 1038378667 /nfs/dbraw/zinc/37/86/67/1038378667.db2.gz PUXFUWZURYPGHI-VQIMIIECSA-N 1 2 356.514 2.902 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cc4n(n3)CCCC4)C[C@H]2C)CCC1 ZINC001208517679 1038378679 /nfs/dbraw/zinc/37/86/79/1038378679.db2.gz PUXFUWZURYPGHI-VQIMIIECSA-N 1 2 356.514 2.902 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc(C(C)C)cc1O ZINC001237052385 1038425127 /nfs/dbraw/zinc/42/51/27/1038425127.db2.gz WBMPMVGNISBBDH-SFHVURJKSA-N 1 2 356.470 2.946 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc(C(C)C)cc1O ZINC001237052385 1038425136 /nfs/dbraw/zinc/42/51/36/1038425136.db2.gz WBMPMVGNISBBDH-SFHVURJKSA-N 1 2 356.470 2.946 20 30 FFEDLO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001208922603 1038588816 /nfs/dbraw/zinc/58/88/16/1038588816.db2.gz IURMXRSQTYORGH-FQEVSTJZSA-N 1 2 365.481 2.614 20 30 FFEDLO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CC[N@H+]1CCc1ccc(C#N)cc1 ZINC001208922603 1038588820 /nfs/dbraw/zinc/58/88/20/1038588820.db2.gz IURMXRSQTYORGH-FQEVSTJZSA-N 1 2 365.481 2.614 20 30 FFEDLO C=CCN(CC[NH+]1CCN(c2ccc(C(C)=O)cc2)CC1)C(=O)OCC ZINC001209022913 1038637536 /nfs/dbraw/zinc/63/75/36/1038637536.db2.gz VMRHHQNCOCAVBN-UHFFFAOYSA-N 1 2 359.470 2.656 20 30 FFEDLO COC(=O)[C@H](Cc1ccc(Br)cn1)[NH2+]C1CCC(C#N)CC1 ZINC001256963111 1038664434 /nfs/dbraw/zinc/66/44/34/1038664434.db2.gz BDOACIHOAWZZHB-HGMXIMQMSA-N 1 2 366.259 2.600 20 30 FFEDLO N#Cc1cc(F)c(C(=O)N2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)c(Cl)c1 ZINC001278619986 1038874064 /nfs/dbraw/zinc/87/40/64/1038874064.db2.gz MVJIFBCZEXTQPO-UHFFFAOYSA-N 1 2 358.804 2.637 20 30 FFEDLO N#Cc1ccc(NC(=S)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001245880036 1039133732 /nfs/dbraw/zinc/13/37/32/1039133732.db2.gz BRRDBDFGFPNMFN-IBGZPJMESA-N 1 2 366.490 2.746 20 30 FFEDLO N#Cc1ccc(NC(=S)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001245880036 1039133739 /nfs/dbraw/zinc/13/37/39/1039133739.db2.gz BRRDBDFGFPNMFN-IBGZPJMESA-N 1 2 366.490 2.746 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OCCOC)cc2)C1 ZINC001210057648 1039354778 /nfs/dbraw/zinc/35/47/78/1039354778.db2.gz MZWZCQFEPZXQBE-CXAGYDPISA-N 1 2 352.862 2.514 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OCCOC)cc2)C1 ZINC001210057648 1039354794 /nfs/dbraw/zinc/35/47/94/1039354794.db2.gz MZWZCQFEPZXQBE-CXAGYDPISA-N 1 2 352.862 2.514 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1Cc1ccc(Br)cc1Br ZINC001210120159 1039392867 /nfs/dbraw/zinc/39/28/67/1039392867.db2.gz AISCVMSBTBJRNV-LLVKDONJSA-N 1 2 359.065 2.509 20 30 FFEDLO Cc1cc(Br)c(CN2CC[NH2+]C[C@H]2C#N)c(Br)c1 ZINC001210122063 1039393503 /nfs/dbraw/zinc/39/35/03/1039393503.db2.gz PAZIILZBTPSPTF-SNVBAGLBSA-N 1 2 373.092 2.817 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2cccc(Cl)n2)C3)cc1C#N ZINC001278645567 1039438428 /nfs/dbraw/zinc/43/84/28/1039438428.db2.gz IMEXMIFHHGJLCZ-QAPCUYQASA-N 1 2 355.873 2.651 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cccc(Cl)n2)C3)cc1C#N ZINC001278645567 1039438439 /nfs/dbraw/zinc/43/84/39/1039438439.db2.gz IMEXMIFHHGJLCZ-QAPCUYQASA-N 1 2 355.873 2.651 20 30 FFEDLO C=CCCCNC(=S)NCCSCc1csc(C[NH+](C)C)n1 ZINC001247780703 1039948539 /nfs/dbraw/zinc/94/85/39/1039948539.db2.gz BUUWCGOXAQZUJF-UHFFFAOYSA-N 1 2 358.602 2.868 20 30 FFEDLO COc1nscc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001211235006 1040022450 /nfs/dbraw/zinc/02/24/50/1040022450.db2.gz DSBKMFOQOXLMAD-CRAIPNDOSA-N 1 2 369.490 2.530 20 30 FFEDLO COc1nscc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001211235006 1040022467 /nfs/dbraw/zinc/02/24/67/1040022467.db2.gz DSBKMFOQOXLMAD-CRAIPNDOSA-N 1 2 369.490 2.530 20 30 FFEDLO N#Cc1ccccc1OC1C[NH+](C[C@H](O)CCOCc2ccccc2)C1 ZINC001253277645 1040090306 /nfs/dbraw/zinc/09/03/06/1040090306.db2.gz UEGWEUXBSQKNOB-LJQANCHMSA-N 1 2 352.434 2.589 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cc(OC)no3)C[C@H]2C)CCCCC1 ZINC001211410657 1040166079 /nfs/dbraw/zinc/16/60/79/1040166079.db2.gz AWRPKIUNHBWFQR-NVXWUHKLSA-N 1 2 359.470 2.594 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cc(OC)no3)C[C@H]2C)CCCCC1 ZINC001211410657 1040166083 /nfs/dbraw/zinc/16/60/83/1040166083.db2.gz AWRPKIUNHBWFQR-NVXWUHKLSA-N 1 2 359.470 2.594 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3)o2)C[C@H]1C ZINC001211423119 1040182906 /nfs/dbraw/zinc/18/29/06/1040182906.db2.gz XOYCJAMFMPKSGE-SJLPKXTDSA-N 1 2 369.465 2.871 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3)o2)C[C@H]1C ZINC001211423119 1040182910 /nfs/dbraw/zinc/18/29/10/1040182910.db2.gz XOYCJAMFMPKSGE-SJLPKXTDSA-N 1 2 369.465 2.871 20 30 FFEDLO Cn1cc(C[NH+]2CC3(C2)CCCN(Cc2ccnc(F)c2)C3)cc1C#N ZINC001278726869 1040240588 /nfs/dbraw/zinc/24/05/88/1040240588.db2.gz HSTUIZFPASRYIE-UHFFFAOYSA-N 1 2 353.445 2.529 20 30 FFEDLO C#C[C@H]1CCC[N@@H+](Cc2cccn3c(I)cnc23)C1 ZINC001248422565 1040269952 /nfs/dbraw/zinc/26/99/52/1040269952.db2.gz CZTGPIYFZHSXCW-LBPRGKRZSA-N 1 2 365.218 2.784 20 30 FFEDLO C#C[C@H]1CCC[N@H+](Cc2cccn3c(I)cnc23)C1 ZINC001248422565 1040269968 /nfs/dbraw/zinc/26/99/68/1040269968.db2.gz CZTGPIYFZHSXCW-LBPRGKRZSA-N 1 2 365.218 2.784 20 30 FFEDLO CC[N@H+](CCC#N)Cc1cc(I)c(OC)cc1O ZINC001248469724 1040291758 /nfs/dbraw/zinc/29/17/58/1040291758.db2.gz XHXCLOOVWSYHMH-UHFFFAOYSA-N 1 2 360.195 2.741 20 30 FFEDLO CC[N@@H+](CCC#N)Cc1cc(I)c(OC)cc1O ZINC001248469724 1040291767 /nfs/dbraw/zinc/29/17/67/1040291767.db2.gz XHXCLOOVWSYHMH-UHFFFAOYSA-N 1 2 360.195 2.741 20 30 FFEDLO CCc1cc(C#N)ccc1C[N@H+]1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001248750598 1040392416 /nfs/dbraw/zinc/39/24/16/1040392416.db2.gz PHZXUCJRHGMKAV-GOSISDBHSA-N 1 2 360.465 2.846 20 30 FFEDLO CCc1cc(C#N)ccc1C[N@@H+]1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001248750598 1040392420 /nfs/dbraw/zinc/39/24/20/1040392420.db2.gz PHZXUCJRHGMKAV-GOSISDBHSA-N 1 2 360.465 2.846 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2oc(CCC)nc2C)C[C@H]1OC ZINC001213317216 1040441512 /nfs/dbraw/zinc/44/15/12/1040441512.db2.gz AHIISQQKRCMZOB-QGPMSJSTSA-N 1 2 363.502 2.853 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2oc(CCC)nc2C)C[C@H]1OC ZINC001213317216 1040441519 /nfs/dbraw/zinc/44/15/19/1040441519.db2.gz AHIISQQKRCMZOB-QGPMSJSTSA-N 1 2 363.502 2.853 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1OC ZINC001213322606 1040451156 /nfs/dbraw/zinc/45/11/56/1040451156.db2.gz LHCAQUFVXGTPLX-MORSLUCNSA-N 1 2 352.425 2.883 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1OC ZINC001213322606 1040451162 /nfs/dbraw/zinc/45/11/62/1040451162.db2.gz LHCAQUFVXGTPLX-MORSLUCNSA-N 1 2 352.425 2.883 20 30 FFEDLO CCn1ccnc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)cc1C#N ZINC001278749430 1040456958 /nfs/dbraw/zinc/45/69/58/1040456958.db2.gz JKYBXYAOXJPXEN-KDURUIRLSA-N 1 2 353.445 2.763 20 30 FFEDLO CCn1ccnc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)cc1C#N ZINC001278749430 1040456962 /nfs/dbraw/zinc/45/69/62/1040456962.db2.gz JKYBXYAOXJPXEN-KDURUIRLSA-N 1 2 353.445 2.763 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2cnn3ccc(C#N)cc23)Cc2c1cnn2CC ZINC001249086719 1040576135 /nfs/dbraw/zinc/57/61/35/1040576135.db2.gz OEZQDNCEBYDYDO-KRWDZBQOSA-N 1 2 364.453 2.558 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2cnn3ccc(C#N)cc23)Cc2c1cnn2CC ZINC001249086719 1040576146 /nfs/dbraw/zinc/57/61/46/1040576146.db2.gz OEZQDNCEBYDYDO-KRWDZBQOSA-N 1 2 364.453 2.558 20 30 FFEDLO N#Cc1ccn2ncc(C[NH+]3CCN(c4nc5ccccc5o4)CC3)c2c1 ZINC001249099413 1040580005 /nfs/dbraw/zinc/58/00/05/1040580005.db2.gz PFWYEKPONVOBEA-UHFFFAOYSA-N 1 2 358.405 2.669 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H](C)CC(C)C ZINC001213633401 1040740943 /nfs/dbraw/zinc/74/09/43/1040740943.db2.gz ABUMPGKGJPRQRF-GDIGMMSISA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H](C)CC(C)C ZINC001213633401 1040740960 /nfs/dbraw/zinc/74/09/60/1040740960.db2.gz ABUMPGKGJPRQRF-GDIGMMSISA-N 1 2 361.461 2.695 20 30 FFEDLO COC(=O)c1ccccc1N1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC001249687957 1040946406 /nfs/dbraw/zinc/94/64/06/1040946406.db2.gz WCALHPIAMMQRFP-UHFFFAOYSA-N 1 2 353.397 2.806 20 30 FFEDLO COc1ccccc1C[NH+]1CC2(C1)CCN(Cc1cc(C#N)n(C)c1)C2 ZINC001278535809 1041003205 /nfs/dbraw/zinc/00/32/05/1041003205.db2.gz OTYKFXVRWFXNEE-UHFFFAOYSA-N 1 2 350.466 2.613 20 30 FFEDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(S(=O)(=O)CCCCC#N)C1 ZINC001214073576 1041216986 /nfs/dbraw/zinc/21/69/86/1041216986.db2.gz YOURWOFVIPPDSW-HNNXBMFYSA-N 1 2 352.504 2.841 20 30 FFEDLO C#CCC1(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)c3nc(C4CC4)no3)C2)CCC1 ZINC001214833804 1041588498 /nfs/dbraw/zinc/58/84/98/1041588498.db2.gz HVRUGZFGQUYQMC-IIAWOOMASA-N 1 2 356.470 2.638 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC(c2ccncn2)CC1 ZINC001262952207 1041985300 /nfs/dbraw/zinc/98/53/00/1041985300.db2.gz MPANXHPMLQJQRI-UHFFFAOYSA-N 1 2 367.501 2.624 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 ZINC001262990447 1042013790 /nfs/dbraw/zinc/01/37/90/1042013790.db2.gz CGLFXKDESCOYHG-CABCVRRESA-N 1 2 360.531 2.899 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3c(Cl)ncnc3Cl)C2)C1=O ZINC001276743346 1042063382 /nfs/dbraw/zinc/06/33/82/1042063382.db2.gz STFPZMKWLCSVHF-MRXNPFEDSA-N 1 2 355.269 2.784 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CC[N@@H+](Cc3c(Cl)ncnc3Cl)C2)C1=O ZINC001276743346 1042063385 /nfs/dbraw/zinc/06/33/85/1042063385.db2.gz STFPZMKWLCSVHF-MRXNPFEDSA-N 1 2 355.269 2.784 20 30 FFEDLO COc1ncc(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc1C#N ZINC001538310845 1070402722 /nfs/dbraw/zinc/40/27/22/1070402722.db2.gz LKDLPRVCUCBWTQ-UHFFFAOYSA-N 1 2 357.320 2.537 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2nnc(C)n2C2CC2)[C@@H]1CC ZINC001264059553 1042604393 /nfs/dbraw/zinc/60/43/93/1042604393.db2.gz OVDZSJVJGLVKIW-DLBZAZTESA-N 1 2 359.518 2.993 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2nnc(C)n2C2CC2)[C@@H]1CC ZINC001264059553 1042604397 /nfs/dbraw/zinc/60/43/97/1042604397.db2.gz OVDZSJVJGLVKIW-DLBZAZTESA-N 1 2 359.518 2.993 20 30 FFEDLO CCC[C@H](OC)C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001264059742 1042605075 /nfs/dbraw/zinc/60/50/75/1042605075.db2.gz WLRBYMKZTNWYKW-OTWHNJEPSA-N 1 2 361.461 2.982 20 30 FFEDLO CCC[C@H](OC)C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001264059742 1042605078 /nfs/dbraw/zinc/60/50/78/1042605078.db2.gz WLRBYMKZTNWYKW-OTWHNJEPSA-N 1 2 361.461 2.982 20 30 FFEDLO CC#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)CCCC(C)=O)C1 ZINC001264597666 1042734409 /nfs/dbraw/zinc/73/44/09/1042734409.db2.gz ROXOXJFDLULZKY-SFTDATJTSA-N 1 2 370.493 2.752 20 30 FFEDLO CC#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)CCCC(C)=O)C1 ZINC001264597666 1042734413 /nfs/dbraw/zinc/73/44/13/1042734413.db2.gz ROXOXJFDLULZKY-SFTDATJTSA-N 1 2 370.493 2.752 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@H+](Cc2noc3c2COCC3)[C@@H]1CC ZINC001264616197 1042749107 /nfs/dbraw/zinc/74/91/07/1042749107.db2.gz RZYFSZAWVIMGJP-QILLFSRXSA-N 1 2 361.486 2.819 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](Cc2noc3c2COCC3)[C@@H]1CC ZINC001264616197 1042749114 /nfs/dbraw/zinc/74/91/14/1042749114.db2.gz RZYFSZAWVIMGJP-QILLFSRXSA-N 1 2 361.486 2.819 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@H+](Cc2noc3c2COCC3)[C@@H]1CC ZINC001264616198 1042749276 /nfs/dbraw/zinc/74/92/76/1042749276.db2.gz RZYFSZAWVIMGJP-UWWQBHOKSA-N 1 2 361.486 2.819 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](Cc2noc3c2COCC3)[C@@H]1CC ZINC001264616198 1042749281 /nfs/dbraw/zinc/74/92/81/1042749281.db2.gz RZYFSZAWVIMGJP-UWWQBHOKSA-N 1 2 361.486 2.819 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C(C)C)s3)CC[C@@H]2C1 ZINC001264642853 1042764171 /nfs/dbraw/zinc/76/41/71/1042764171.db2.gz UQYGFQPUONSNAJ-CVEARBPZSA-N 1 2 360.527 2.745 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C(C)C)s3)CC[C@@H]2C1 ZINC001264642853 1042764173 /nfs/dbraw/zinc/76/41/73/1042764173.db2.gz UQYGFQPUONSNAJ-CVEARBPZSA-N 1 2 360.527 2.745 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2cccc(CC)c2)[C@@H]1C ZINC001264697599 1042784339 /nfs/dbraw/zinc/78/43/39/1042784339.db2.gz WEHVUWFOIMSHFI-XLIONFOSSA-N 1 2 369.509 2.960 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2cccc(CC)c2)[C@@H]1C ZINC001264697599 1042784344 /nfs/dbraw/zinc/78/43/44/1042784344.db2.gz WEHVUWFOIMSHFI-XLIONFOSSA-N 1 2 369.509 2.960 20 30 FFEDLO CO/N=C/c1ccc(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)cc1 ZINC001279296275 1042988456 /nfs/dbraw/zinc/98/84/56/1042988456.db2.gz QGHIQNSORDRTQC-SSDVNMTOSA-N 1 2 369.387 2.910 20 30 FFEDLO CO/N=C/c1ccc(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)cc1 ZINC001279296275 1042988458 /nfs/dbraw/zinc/98/84/58/1042988458.db2.gz QGHIQNSORDRTQC-SSDVNMTOSA-N 1 2 369.387 2.910 20 30 FFEDLO CCn1ccnc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc(C#N)c(Cl)c1 ZINC001279470039 1043152847 /nfs/dbraw/zinc/15/28/47/1043152847.db2.gz MBIRJZMOOSARPF-CALCHBBNSA-N 1 2 355.873 2.887 20 30 FFEDLO CCn1ccnc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc(C#N)c(Cl)c1 ZINC001279470039 1043152850 /nfs/dbraw/zinc/15/28/50/1043152850.db2.gz MBIRJZMOOSARPF-CALCHBBNSA-N 1 2 355.873 2.887 20 30 FFEDLO C#CC[NH+]1CCN(Cc2cc(Br)ccc2OC(F)F)CC1 ZINC001237426282 1043153469 /nfs/dbraw/zinc/15/34/69/1043153469.db2.gz UXMWGHBLBSHKEV-UHFFFAOYSA-N 1 2 359.214 2.801 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2cn3cc(C#N)ccc3n2)Cc2cn(CC)nc21 ZINC001237606604 1043266205 /nfs/dbraw/zinc/26/62/05/1043266205.db2.gz UWVBYFUGYTZZNL-QGZVFWFLSA-N 1 2 364.453 2.558 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2cn3cc(C#N)ccc3n2)Cc2cn(CC)nc21 ZINC001237606604 1043266211 /nfs/dbraw/zinc/26/62/11/1043266211.db2.gz UWVBYFUGYTZZNL-QGZVFWFLSA-N 1 2 364.453 2.558 20 30 FFEDLO COc1ccc(Cl)cc1CN1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001279579460 1043287763 /nfs/dbraw/zinc/28/77/63/1043287763.db2.gz LWFYCXCFGZPDBC-UHFFFAOYSA-N 1 2 370.884 2.877 20 30 FFEDLO CC1(C)C[NH2+]Cc2cc(NS(=O)(=O)c3cc(C#N)ccc3F)ccc21 ZINC001237960283 1043458000 /nfs/dbraw/zinc/45/80/00/1043458000.db2.gz ZOZXDSRKQLBLGP-UHFFFAOYSA-N 1 2 359.426 2.879 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1CCC)C1CC[NH+](Cc2cn(C(C)C)nn2)CC1 ZINC001278184267 1043517836 /nfs/dbraw/zinc/51/78/36/1043517836.db2.gz KVHYYUXXQBMWEH-YLJYHZDGSA-N 1 2 371.529 2.721 20 30 FFEDLO CCc1ccc([C@H]2CN(S(=O)(=O)c3ccc(C)cc3C#N)CC[NH2+]2)cc1 ZINC001309972845 1043619076 /nfs/dbraw/zinc/61/90/76/1043619076.db2.gz XKLMDDLWGRZTJM-LJQANCHMSA-N 1 2 369.490 2.764 20 30 FFEDLO N#Cc1cc(F)cc(C[NH+]2CC3(C[C@@H]3C(=O)NC3CCC(F)CC3)C2)c1 ZINC001279821742 1043705112 /nfs/dbraw/zinc/70/51/12/1043705112.db2.gz HQOCGDNXFKCDCF-VMWRSERWSA-N 1 2 359.420 2.916 20 30 FFEDLO CCCCCCCC[N@@H+]1CCc2[nH]nc(C(=O)N(C)CCOC)c2C1 ZINC001279870299 1043804985 /nfs/dbraw/zinc/80/49/85/1043804985.db2.gz AWPICLFEXOZFJC-UHFFFAOYSA-N 1 2 350.507 2.847 20 30 FFEDLO CCCCCCCC[N@H+]1CCc2[nH]nc(C(=O)N(C)CCOC)c2C1 ZINC001279870299 1043805005 /nfs/dbraw/zinc/80/50/05/1043805005.db2.gz AWPICLFEXOZFJC-UHFFFAOYSA-N 1 2 350.507 2.847 20 30 FFEDLO Cn1cc(C[NH+]2CC3(C2)CCCN(CC(=O)c2cccs2)C3)cc1C#N ZINC001280035482 1044112383 /nfs/dbraw/zinc/11/23/83/1044112383.db2.gz BXAGUFSXQCKBHP-UHFFFAOYSA-N 1 2 368.506 2.739 20 30 FFEDLO CCN(CC)c1ncc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)NC2(C#N)CCC2)s1 ZINC001280159171 1044324558 /nfs/dbraw/zinc/32/45/58/1044324558.db2.gz DLZHYARBCAOFIO-IFXJQAMLSA-N 1 2 373.526 2.516 20 30 FFEDLO CCN(CC)c1ncc(C[N@H+]2CC[C@H]3C[C@]32C(=O)NC2(C#N)CCC2)s1 ZINC001280159171 1044324570 /nfs/dbraw/zinc/32/45/70/1044324570.db2.gz DLZHYARBCAOFIO-IFXJQAMLSA-N 1 2 373.526 2.516 20 30 FFEDLO Cc1cc(C[NH+]2CC3(CN(Cc4c(Cl)cccc4C#N)C3)C2)n(C)n1 ZINC001278313701 1044340339 /nfs/dbraw/zinc/34/03/39/1044340339.db2.gz FJVBUTNTYSQWRC-UHFFFAOYSA-N 1 2 355.873 2.571 20 30 FFEDLO N#Cc1ccc2c(c1)ncnc2-c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001240448432 1044345133 /nfs/dbraw/zinc/34/51/33/1044345133.db2.gz LRHLRUWADNABSJ-UHFFFAOYSA-N 1 2 360.417 2.879 20 30 FFEDLO N#Cc1cc(-c2ccc(OCC[NH+]3CCOCC3)cc2)nc(C2CC2)n1 ZINC001240450292 1044347702 /nfs/dbraw/zinc/34/77/02/1044347702.db2.gz WGOCIOVYWOEPRB-UHFFFAOYSA-N 1 2 350.422 2.604 20 30 FFEDLO N#CCC[N@H+]1CCC[C@]2(CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC001280181206 1044362347 /nfs/dbraw/zinc/36/23/47/1044362347.db2.gz HTORMAHGUINUQY-ZVDOUQERSA-N 1 2 352.482 2.954 20 30 FFEDLO N#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC001280181206 1044362362 /nfs/dbraw/zinc/36/23/62/1044362362.db2.gz HTORMAHGUINUQY-ZVDOUQERSA-N 1 2 352.482 2.954 20 30 FFEDLO C=C(C)[C@@H]1CC=C(C[NH+]2CC3(C2)CC[C@H](C(=O)NCC(F)F)O3)CC1 ZINC001280234306 1044438646 /nfs/dbraw/zinc/43/86/46/1044438646.db2.gz FPUKUEZORVYDEB-HZPDHXFCSA-N 1 2 354.441 2.904 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3ccnc4cc(C#N)ccc43)cn2)CC1 ZINC001241560454 1044545058 /nfs/dbraw/zinc/54/50/58/1044545058.db2.gz LZNOONBLBMJOSE-UHFFFAOYSA-N 1 2 372.476 2.828 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3ccc(CC#N)cc3F)cn2)CC1 ZINC001241560461 1044546245 /nfs/dbraw/zinc/54/62/45/1044546245.db2.gz MGYKZHIWXZESOP-UHFFFAOYSA-N 1 2 353.445 2.613 20 30 FFEDLO CN(C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc(C#N)cc1F)C1CC(F)(F)C1 ZINC001280323948 1044606985 /nfs/dbraw/zinc/60/69/85/1044606985.db2.gz YNPRRYHZGILVJE-IFXJQAMLSA-N 1 2 363.383 2.918 20 30 FFEDLO CN(C(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccc(C#N)cc1F)C1CC(F)(F)C1 ZINC001280323948 1044606990 /nfs/dbraw/zinc/60/69/90/1044606990.db2.gz YNPRRYHZGILVJE-IFXJQAMLSA-N 1 2 363.383 2.918 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)[C@@]13C[C@@H]1C[N@H+](Cc1cnc[nH]1)C3)CCCC2 ZINC001280341169 1044631103 /nfs/dbraw/zinc/63/11/03/1044631103.db2.gz CQSBGFHEGUHWTH-CWTRNNRKSA-N 1 2 367.478 2.682 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)[C@@]13C[C@@H]1C[N@@H+](Cc1cnc[nH]1)C3)CCCC2 ZINC001280341169 1044631108 /nfs/dbraw/zinc/63/11/08/1044631108.db2.gz CQSBGFHEGUHWTH-CWTRNNRKSA-N 1 2 367.478 2.682 20 30 FFEDLO C=CCC(C)(C)C(=O)N(C)CC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001280388926 1044645258 /nfs/dbraw/zinc/64/52/58/1044645258.db2.gz OUWDDTRGDPLMFX-HUUCEWRRSA-N 1 2 360.502 2.716 20 30 FFEDLO C=CCC(C)(C)C(=O)N(C)CC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001280388926 1044645266 /nfs/dbraw/zinc/64/52/66/1044645266.db2.gz OUWDDTRGDPLMFX-HUUCEWRRSA-N 1 2 360.502 2.716 20 30 FFEDLO N#Cc1c2ccccc2[nH]c1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001539277198 1070603824 /nfs/dbraw/zinc/60/38/24/1070603824.db2.gz BNVRCTIUXAKDRR-QGZVFWFLSA-N 1 2 374.444 2.670 20 30 FFEDLO N#Cc1c2ccccc2[nH]c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001539277198 1070603830 /nfs/dbraw/zinc/60/38/30/1070603830.db2.gz BNVRCTIUXAKDRR-QGZVFWFLSA-N 1 2 374.444 2.670 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)NCC)CC[C@@H]1c1ccccc1 ZINC001316724114 1044841417 /nfs/dbraw/zinc/84/14/17/1044841417.db2.gz XIFOBDJZTKUTBI-MISYRCLQSA-N 1 2 371.525 2.699 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC)CC[C@@H]1c1ccccc1 ZINC001316724114 1044841439 /nfs/dbraw/zinc/84/14/39/1044841439.db2.gz XIFOBDJZTKUTBI-MISYRCLQSA-N 1 2 371.525 2.699 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)(C)C ZINC001281310674 1044867937 /nfs/dbraw/zinc/86/79/37/1044867937.db2.gz PTNXRHFFKOKKQD-FMKPAKJESA-N 1 2 360.502 2.763 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)(C)C ZINC001281310674 1044867962 /nfs/dbraw/zinc/86/79/62/1044867962.db2.gz PTNXRHFFKOKKQD-FMKPAKJESA-N 1 2 360.502 2.763 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001316781709 1044949386 /nfs/dbraw/zinc/94/93/86/1044949386.db2.gz UWFWEHUMNKBXQZ-MOXGXCLJSA-N 1 2 360.885 2.598 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001316781709 1044949400 /nfs/dbraw/zinc/94/94/00/1044949400.db2.gz UWFWEHUMNKBXQZ-MOXGXCLJSA-N 1 2 360.885 2.598 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@H](c2ccccc2)CC1=O ZINC001319562882 1045194289 /nfs/dbraw/zinc/19/42/89/1045194289.db2.gz LYAYIBORVOOFNF-OAQYLSRUSA-N 1 2 363.461 2.980 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C[C@H](c2ccccc2)CC1=O ZINC001319562882 1045194295 /nfs/dbraw/zinc/19/42/95/1045194295.db2.gz LYAYIBORVOOFNF-OAQYLSRUSA-N 1 2 363.461 2.980 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCC)CC1 ZINC001539444473 1070639635 /nfs/dbraw/zinc/63/96/35/1070639635.db2.gz PKSJQXSCQSECFB-UHFFFAOYSA-N 1 2 362.481 2.602 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2CC)CCC1 ZINC001282275992 1045469505 /nfs/dbraw/zinc/46/95/05/1045469505.db2.gz DLFNAGVZPLNPPR-DLBZAZTESA-N 1 2 358.486 2.584 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2CC)CCC1 ZINC001282275992 1045469508 /nfs/dbraw/zinc/46/95/08/1045469508.db2.gz DLFNAGVZPLNPPR-DLBZAZTESA-N 1 2 358.486 2.584 20 30 FFEDLO C=CCCCC(=O)N[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1C ZINC001282382301 1045573715 /nfs/dbraw/zinc/57/37/15/1045573715.db2.gz TZSIAMVJZHWEIV-APWZRJJASA-N 1 2 366.465 2.948 20 30 FFEDLO C=CCO[C@@H]1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC001325261116 1046441914 /nfs/dbraw/zinc/44/19/14/1046441914.db2.gz BOAVMNGADDSCFK-MRXNPFEDSA-N 1 2 356.426 2.771 20 30 FFEDLO C=CCC1(C(=O)NCC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001284441895 1046542379 /nfs/dbraw/zinc/54/23/79/1046542379.db2.gz PXGKZDDDSHDDPW-BZUAXINKSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCC1(C(=O)NCC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001284441895 1046542395 /nfs/dbraw/zinc/54/23/95/1046542395.db2.gz PXGKZDDDSHDDPW-BZUAXINKSA-N 1 2 358.486 2.661 20 30 FFEDLO C#CC1CCN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC1 ZINC001326015060 1046724865 /nfs/dbraw/zinc/72/48/65/1046724865.db2.gz BHMIFCNWNCNIBE-UHFFFAOYSA-N 1 2 354.498 2.776 20 30 FFEDLO C=CC(C)(C)CC(=O)N(C)CC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001285506989 1046844907 /nfs/dbraw/zinc/84/49/07/1046844907.db2.gz FTKHDPYZXOWYFV-HUUCEWRRSA-N 1 2 360.502 2.716 20 30 FFEDLO C=CC(C)(C)CC(=O)N(C)CC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001285506989 1046844924 /nfs/dbraw/zinc/84/49/24/1046844924.db2.gz FTKHDPYZXOWYFV-HUUCEWRRSA-N 1 2 360.502 2.716 20 30 FFEDLO C=CCCCC(=O)N1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001286161990 1047041204 /nfs/dbraw/zinc/04/12/04/1047041204.db2.gz NDNWNGFGIACNBD-JXXFODFXSA-N 1 2 358.486 2.614 20 30 FFEDLO C=CCCCC(=O)N1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001286161990 1047041217 /nfs/dbraw/zinc/04/12/17/1047041217.db2.gz NDNWNGFGIACNBD-JXXFODFXSA-N 1 2 358.486 2.614 20 30 FFEDLO C#CCN(C)c1nnc(-c2c[nH]c3ccccc32)n1Cc1c[nH+]ccc1OC ZINC001286369692 1047088673 /nfs/dbraw/zinc/08/86/73/1047088673.db2.gz AINFTWRSDVLQQX-UHFFFAOYSA-N 1 2 372.432 2.948 20 30 FFEDLO C#CCN(CC)c1nnc([C@H]2CCCO2)n1CCCc1cccc(C)[nH+]1 ZINC001286452028 1047115920 /nfs/dbraw/zinc/11/59/20/1047115920.db2.gz HKCMMQJCHTWRMA-GOSISDBHSA-N 1 2 353.470 2.925 20 30 FFEDLO C=C(C)CCC(=O)N[C@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001288263243 1047436131 /nfs/dbraw/zinc/43/61/31/1047436131.db2.gz CUTVDTZQFCQJQD-DJIMGWMZSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)CCC(=O)N[C@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001288263243 1047436134 /nfs/dbraw/zinc/43/61/34/1047436134.db2.gz CUTVDTZQFCQJQD-DJIMGWMZSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC001290328434 1048021481 /nfs/dbraw/zinc/02/14/81/1048021481.db2.gz QGIFEYISYCOYIX-SQNIBIBYSA-N 1 2 360.502 2.619 20 30 FFEDLO N#CCCC[C@H]([NH3+])c1nc(CS(=O)(=O)Cc2ccc(Cl)cc2)no1 ZINC001329178315 1048609040 /nfs/dbraw/zinc/60/90/40/1048609040.db2.gz GFJLWOHFQMLESB-ZDUSSCGKSA-N 1 2 368.846 2.532 20 30 FFEDLO C=CCCCN(CC)C(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001333170870 1048740897 /nfs/dbraw/zinc/74/08/97/1048740897.db2.gz CQUOYHBMGJINAC-SFHVURJKSA-N 1 2 354.454 2.555 20 30 FFEDLO C#CCN(Cc1nc(C)c(C)o1)C1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC001330709146 1049285535 /nfs/dbraw/zinc/28/55/35/1049285535.db2.gz XTJHGJVGAZDRSS-UHFFFAOYSA-N 1 2 356.470 2.996 20 30 FFEDLO C=CCC1(C(=O)N[C@H](CC)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001297433775 1050165151 /nfs/dbraw/zinc/16/51/51/1050165151.db2.gz KRPXEGCWNUEHHM-BZUAXINKSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCC1(C(=O)N[C@H](CC)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001297433775 1050165155 /nfs/dbraw/zinc/16/51/55/1050165155.db2.gz KRPXEGCWNUEHHM-BZUAXINKSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@@H](c2cccc(F)c2)C1 ZINC001339879802 1050296209 /nfs/dbraw/zinc/29/62/09/1050296209.db2.gz CQYKXSRQINOPFS-MRXNPFEDSA-N 1 2 366.444 2.921 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCc2cc(F)cc(C)c2C1 ZINC001339880316 1050297778 /nfs/dbraw/zinc/29/77/78/1050297778.db2.gz NVEHFCJSEVNPOH-UHFFFAOYSA-N 1 2 366.444 2.799 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCOC2(CCCCC2)C1 ZINC001341755799 1050372588 /nfs/dbraw/zinc/37/25/88/1050372588.db2.gz KAXFEWBESBPJOX-UHFFFAOYSA-N 1 2 370.501 2.718 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC2(CCCC2)OC[C@@H]1C ZINC001341854347 1050465758 /nfs/dbraw/zinc/46/57/58/1050465758.db2.gz SGPFPZNAGCLRCV-KRWDZBQOSA-N 1 2 359.518 2.988 20 30 FFEDLO C=CCn1c(-c2ccsc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001341939462 1050536307 /nfs/dbraw/zinc/53/63/07/1050536307.db2.gz UTCCHMVJMLQCPN-UHFFFAOYSA-N 1 2 370.482 2.811 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](Cc3ccccc3)CCO2)nnc1N1CCCC1 ZINC001340308240 1050707590 /nfs/dbraw/zinc/70/75/90/1050707590.db2.gz FRPAOHHCYQYODO-SFHVURJKSA-N 1 2 353.470 2.638 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nnc1N1CCCC1 ZINC001340308240 1050707593 /nfs/dbraw/zinc/70/75/93/1050707593.db2.gz FRPAOHHCYQYODO-SFHVURJKSA-N 1 2 353.470 2.638 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@H](CC(F)(F)F)C1 ZINC001340389237 1050782094 /nfs/dbraw/zinc/78/20/94/1050782094.db2.gz FIKHUMWNMYZVKM-KGLIPLIRSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@H](CC(F)(F)F)C1 ZINC001340389237 1050782107 /nfs/dbraw/zinc/78/21/07/1050782107.db2.gz FIKHUMWNMYZVKM-KGLIPLIRSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCn1c(C2CCCCC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001340389144 1050782415 /nfs/dbraw/zinc/78/24/15/1050782415.db2.gz CKMMOQQSDJRDEM-UHFFFAOYSA-N 1 2 367.501 2.937 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001342247048 1050837565 /nfs/dbraw/zinc/83/75/65/1050837565.db2.gz HBAASYAMHOQZQB-PXNSSMCTSA-N 1 2 372.517 2.766 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001342247048 1050837570 /nfs/dbraw/zinc/83/75/70/1050837570.db2.gz HBAASYAMHOQZQB-PXNSSMCTSA-N 1 2 372.517 2.766 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001340451576 1050844978 /nfs/dbraw/zinc/84/49/78/1050844978.db2.gz YDQWGIPUAZBPIT-GOSISDBHSA-N 1 2 361.534 2.541 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCc2ccc(F)c(F)c2C1 ZINC001340593267 1050979535 /nfs/dbraw/zinc/97/95/35/1050979535.db2.gz IEZNAOSTPQQRIK-UHFFFAOYSA-N 1 2 370.407 2.629 20 30 FFEDLO C=CCn1c(N2CC(C)(C)CC(C)(C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001340699980 1051064615 /nfs/dbraw/zinc/06/46/15/1051064615.db2.gz AHJIAZIAUAJCJI-MGPUTAFESA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CC(C)(C)CC(C)(C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001340699980 1051064626 /nfs/dbraw/zinc/06/46/26/1051064626.db2.gz AHJIAZIAUAJCJI-MGPUTAFESA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(CCC#N)CCC(C)C ZINC001342540848 1051143628 /nfs/dbraw/zinc/14/36/28/1051143628.db2.gz ASTVCYYICSUBIK-UHFFFAOYSA-N 1 2 355.490 2.945 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[C@H]2C)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001342761843 1051377505 /nfs/dbraw/zinc/37/75/05/1051377505.db2.gz OSQCYTNOPZOXEX-AEFFLSMTSA-N 1 2 352.486 2.695 20 30 FFEDLO C=C(C)Cn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1[C@](C)(O)CC ZINC001342880964 1051490663 /nfs/dbraw/zinc/49/06/63/1051490663.db2.gz NNSLAPWRYVAXFV-HXUWFJFHSA-N 1 2 370.501 2.948 20 30 FFEDLO C=CCC[C@H]1CCCN1c1nnc(C[NH+]2CCCC2)n1C[C@H]1CCCO1 ZINC001343127271 1051746352 /nfs/dbraw/zinc/74/63/52/1051746352.db2.gz UAJQQFCZFQOHJX-ZWKOTPCHSA-N 1 2 359.518 2.988 20 30 FFEDLO Cc1cccc(CCCn2c([C@@H]3CCOC3)nnc2N(C)[C@@H](C)CC#N)[nH+]1 ZINC001542645929 1071273309 /nfs/dbraw/zinc/27/33/09/1071273309.db2.gz ZZLFKAHDSKINFF-DLBZAZTESA-N 1 2 368.485 2.857 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCO[C@@H](CC(F)(F)F)C1 ZINC001343299167 1052144869 /nfs/dbraw/zinc/14/48/69/1052144869.db2.gz OYQDVZNMFXXXKC-AWEZNQCLSA-N 1 2 373.423 2.608 20 30 FFEDLO CS[C@H](C)CC(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001344937048 1052146171 /nfs/dbraw/zinc/14/61/71/1052146171.db2.gz OSKRFJLUIGUEHY-CQSZACIVSA-N 1 2 353.509 2.617 20 30 FFEDLO CCOCCOC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC001307416442 1052304526 /nfs/dbraw/zinc/30/45/26/1052304526.db2.gz XCPZLMOLOYLEGI-UHFFFAOYSA-N 1 2 365.499 2.693 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(=C)CC1 ZINC001343780652 1052415789 /nfs/dbraw/zinc/41/57/89/1052415789.db2.gz QYZNYOGYEJIJRY-MSOLQXFVSA-N 1 2 357.502 2.936 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(=C)CC1 ZINC001343780652 1052415793 /nfs/dbraw/zinc/41/57/93/1052415793.db2.gz QYZNYOGYEJIJRY-MSOLQXFVSA-N 1 2 357.502 2.936 20 30 FFEDLO COCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001345706847 1052582659 /nfs/dbraw/zinc/58/26/59/1052582659.db2.gz TVAWQFIVYAOGFR-IRXDYDNUSA-N 1 2 374.533 2.642 20 30 FFEDLO C=CCCc1ccc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC001309323479 1052599241 /nfs/dbraw/zinc/59/92/41/1052599241.db2.gz RTFLUCFUIILKAH-QGZVFWFLSA-N 1 2 357.479 2.757 20 30 FFEDLO Cc1cc(C)c(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)C)C3)c(C)[nH+]1 ZINC001347001493 1053523424 /nfs/dbraw/zinc/52/34/24/1053523424.db2.gz CDMBRQVDWAQHAQ-SQNIBIBYSA-N 1 2 353.466 2.528 20 30 FFEDLO CN1CC[NH+](Cc2cccc(NC(=O)c3ccc(C#N)cc3F)c2)CC1 ZINC001337088062 1054469960 /nfs/dbraw/zinc/46/99/60/1054469960.db2.gz QKUBFYWPNWAJRU-UHFFFAOYSA-N 1 2 352.413 2.697 20 30 FFEDLO C#Cc1ccc(N2CCC[N@@H+](Cc3csc([C@@H](C)OC)n3)CC2)nc1 ZINC001348031139 1054575065 /nfs/dbraw/zinc/57/50/65/1054575065.db2.gz FRAXXKOMRYZKNM-OAHLLOKOSA-N 1 2 356.495 2.939 20 30 FFEDLO C#Cc1ccc(N2CCC[N@H+](Cc3csc([C@@H](C)OC)n3)CC2)nc1 ZINC001348031139 1054575079 /nfs/dbraw/zinc/57/50/79/1054575079.db2.gz FRAXXKOMRYZKNM-OAHLLOKOSA-N 1 2 356.495 2.939 20 30 FFEDLO COc1cccc([C@H]2CN(C(=O)C3(c4cccc(C#N)c4)CC3)CC[NH2+]2)c1 ZINC001337328017 1054656410 /nfs/dbraw/zinc/65/64/10/1054656410.db2.gz GYWNCAKUGLVSNG-HXUWFJFHSA-N 1 2 361.445 2.772 20 30 FFEDLO C=CC[C@H](OC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)C(=O)OC ZINC001337356814 1054683515 /nfs/dbraw/zinc/68/35/15/1054683515.db2.gz KWQMKJPXYNZTPT-INIZCTEOSA-N 1 2 355.394 2.672 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)c1ccccc1 ZINC001356382186 1055482017 /nfs/dbraw/zinc/48/20/17/1055482017.db2.gz XGJXLZNWUSUBRO-UHFFFAOYSA-N 1 2 355.486 2.826 20 30 FFEDLO CCn1c([C@@H]2C[N@H+](Cc3ccccc3)CCO2)nnc1N(C)[C@@H](C)CC#N ZINC001356489825 1055534309 /nfs/dbraw/zinc/53/43/09/1055534309.db2.gz LDYSZBYVIKAKRO-WMZOPIPTSA-N 1 2 368.485 2.610 20 30 FFEDLO CCn1c([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nnc1N(C)[C@@H](C)CC#N ZINC001356489825 1055534318 /nfs/dbraw/zinc/53/43/18/1055534318.db2.gz LDYSZBYVIKAKRO-WMZOPIPTSA-N 1 2 368.485 2.610 20 30 FFEDLO N#CC[C@H](CC(=O)Nc1ccc(C(N)=O)cc1-n1cc[nH+]c1)c1ccccc1 ZINC001544011806 1071580333 /nfs/dbraw/zinc/58/03/33/1071580333.db2.gz NLGCNNLUYLKEJH-MRXNPFEDSA-N 1 2 373.416 2.997 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001350725507 1055910224 /nfs/dbraw/zinc/91/02/24/1055910224.db2.gz XJSBRKVTCYGUGH-AEFFLSMTSA-N 1 2 356.518 2.925 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC[C@H](C)C2(CCCCC2)C1 ZINC001338896061 1055913905 /nfs/dbraw/zinc/91/39/05/1055913905.db2.gz SYDGGJLQKRSCMF-BZSNNMDCSA-N 1 2 373.545 2.998 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC[C@H](C)C2(CCCCC2)C1 ZINC001338896061 1055913910 /nfs/dbraw/zinc/91/39/10/1055913910.db2.gz SYDGGJLQKRSCMF-BZSNNMDCSA-N 1 2 373.545 2.998 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(CC)C[C@H]1CCCO1 ZINC001338994977 1055999933 /nfs/dbraw/zinc/99/99/33/1055999933.db2.gz KUGGSKNJOYIRBR-GOSISDBHSA-N 1 2 372.517 2.562 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCO[C@](C)(CC)C1 ZINC001339110679 1056102918 /nfs/dbraw/zinc/10/29/18/1056102918.db2.gz SKSTWLSNIWCBEG-HXUWFJFHSA-N 1 2 372.517 2.562 20 30 FFEDLO CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC[N@@H+]2C)n1CC1CC1 ZINC001351502938 1056295516 /nfs/dbraw/zinc/29/55/16/1056295516.db2.gz YXRACUHLAQYFDW-GOSISDBHSA-N 1 2 350.470 2.963 20 30 FFEDLO CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC[N@H+]2C)n1CC1CC1 ZINC001351502938 1056295531 /nfs/dbraw/zinc/29/55/31/1056295531.db2.gz YXRACUHLAQYFDW-GOSISDBHSA-N 1 2 350.470 2.963 20 30 FFEDLO CCOC[C@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC)C1 ZINC001339367433 1056381383 /nfs/dbraw/zinc/38/13/83/1056381383.db2.gz JPJLOWVFDJQYMO-KRWDZBQOSA-N 1 2 374.533 2.644 20 30 FFEDLO CCn1c(N2CC[NH+](Cc3ccccn3)CC2)nnc1C(C#N)(CC)CC ZINC001339409040 1056423384 /nfs/dbraw/zinc/42/33/84/1056423384.db2.gz QXYRYZVMNYDMKY-UHFFFAOYSA-N 1 2 367.501 2.597 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(C(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001358872252 1056576503 /nfs/dbraw/zinc/57/65/03/1056576503.db2.gz ROYIAQYUWQSUQM-INIZCTEOSA-N 1 2 352.486 2.903 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(CCC1CC1)CC1CC1 ZINC001339628317 1056654183 /nfs/dbraw/zinc/65/41/83/1056654183.db2.gz NBEPHQALKLJAIS-UHFFFAOYSA-N 1 2 356.518 2.925 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C/C=C/CC)CC1 ZINC001359033317 1056665433 /nfs/dbraw/zinc/66/54/33/1056665433.db2.gz XUCXMDPUSZSUNN-VOTSOKGWSA-N 1 2 365.481 2.675 20 30 FFEDLO CN(C)c1[nH+]ccc2c1CN(c1nnc(-c3cccc(CC#N)c3)n1C)CC2 ZINC001339668329 1056692004 /nfs/dbraw/zinc/69/20/04/1056692004.db2.gz NERAELHEXHRSQN-UHFFFAOYSA-N 1 2 373.464 2.572 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001518017218 1058237864 /nfs/dbraw/zinc/23/78/64/1058237864.db2.gz HETVGIRSMSINDC-UHFFFAOYSA-N 1 2 370.430 2.562 20 30 FFEDLO Cc1ccc(CC(=O)OCC#Cc2csc(C[NH+]3CCOCC3)c2)o1 ZINC001518017112 1058238043 /nfs/dbraw/zinc/23/80/43/1058238043.db2.gz FPWGRYHEVBMXIX-UHFFFAOYSA-N 1 2 359.447 2.619 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@H](CC(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001500484235 1058500843 /nfs/dbraw/zinc/50/08/43/1058500843.db2.gz PJAOXHCEIRHYEL-ARFHVFGLSA-N 1 2 360.502 2.763 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@H](CC(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001500484235 1058500858 /nfs/dbraw/zinc/50/08/58/1058500858.db2.gz PJAOXHCEIRHYEL-ARFHVFGLSA-N 1 2 360.502 2.763 20 30 FFEDLO C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1CCCNc1cccc[nH+]1 ZINC001300570424 1058820453 /nfs/dbraw/zinc/82/04/53/1058820453.db2.gz OANUCEVYBLOZFQ-UHFFFAOYSA-N 1 2 373.464 2.633 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCO1 ZINC001514561577 1058984372 /nfs/dbraw/zinc/98/43/72/1058984372.db2.gz HMTYQQXIMCEBHQ-QZTJIDSGSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCO1 ZINC001514561577 1058984390 /nfs/dbraw/zinc/98/43/90/1058984390.db2.gz HMTYQQXIMCEBHQ-QZTJIDSGSA-N 1 2 372.517 2.744 20 30 FFEDLO N#Cc1ccc([C@@H](O)C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cc1 ZINC001450155619 1058984900 /nfs/dbraw/zinc/98/49/00/1058984900.db2.gz RJGYBWHKIUQRBO-GOSISDBHSA-N 1 2 366.808 2.747 20 30 FFEDLO N#C[C@@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2CCc2ccccc2)C1 ZINC001354475961 1059049513 /nfs/dbraw/zinc/04/95/13/1059049513.db2.gz XRMYZTNADPPXBR-IBGZPJMESA-N 1 2 364.497 2.857 20 30 FFEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001452825372 1059304437 /nfs/dbraw/zinc/30/44/37/1059304437.db2.gz KVKTVYUWBMZCOC-QWQRMKEZSA-N 1 2 369.469 2.815 20 30 FFEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001452825372 1059304453 /nfs/dbraw/zinc/30/44/53/1059304453.db2.gz KVKTVYUWBMZCOC-QWQRMKEZSA-N 1 2 369.469 2.815 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2Cc2cc(C)cc(OC)c2)CC1 ZINC001300683123 1059318475 /nfs/dbraw/zinc/31/84/75/1059318475.db2.gz WVNNPDYLAWPZKU-UHFFFAOYSA-N 1 2 367.497 2.522 20 30 FFEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCO[C@H]1CC ZINC001505438496 1059394663 /nfs/dbraw/zinc/39/46/63/1059394663.db2.gz IITCTGWJTLQTSW-ZNMIVQPWSA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCO[C@H]1CC ZINC001505438496 1059394683 /nfs/dbraw/zinc/39/46/83/1059394683.db2.gz IITCTGWJTLQTSW-ZNMIVQPWSA-N 1 2 359.308 2.633 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2Cc2cccc(C(C)(F)F)c2)CC1 ZINC001300701654 1059412728 /nfs/dbraw/zinc/41/27/28/1059412728.db2.gz YERLOABWMNHZBG-UHFFFAOYSA-N 1 2 373.451 2.756 20 30 FFEDLO COc1cccc([C@@H]2CN(C(=O)C(=O)/C=C\c3ccc(F)cc3)CC[NH2+]2)c1 ZINC001454479520 1059545613 /nfs/dbraw/zinc/54/56/13/1059545613.db2.gz VGLPWBWJCBFMQT-KWEPMOPPSA-N 1 2 368.408 2.590 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@](C)(C(F)(F)F)C1 ZINC001520305160 1059589494 /nfs/dbraw/zinc/58/94/94/1059589494.db2.gz HRPLWSUTJXDPTJ-BBRMVZONSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@](C)(C(F)(F)F)C1 ZINC001520305160 1059589509 /nfs/dbraw/zinc/58/95/09/1059589509.db2.gz HRPLWSUTJXDPTJ-BBRMVZONSA-N 1 2 373.423 2.779 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2Cc2csc(C)c2)CC1 ZINC001507721616 1059700500 /nfs/dbraw/zinc/70/05/00/1059700500.db2.gz KNRSKFNYQHCZJW-HNNXBMFYSA-N 1 2 357.527 2.965 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 ZINC001507720940 1059700883 /nfs/dbraw/zinc/70/08/83/1059700883.db2.gz HCECAVIOPKURJV-CEXWTWQISA-N 1 2 371.529 2.528 20 30 FFEDLO C=CCn1c([C@H](C)C2CCC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001520516417 1059756334 /nfs/dbraw/zinc/75/63/34/1059756334.db2.gz RMGWQMDURSZLBB-OAHLLOKOSA-N 1 2 367.501 2.793 20 30 FFEDLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001355035174 1059801901 /nfs/dbraw/zinc/80/19/01/1059801901.db2.gz KSLPNEXTJWLNKY-CQSZACIVSA-N 1 2 368.824 2.637 20 30 FFEDLO COCCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001355086822 1059878126 /nfs/dbraw/zinc/87/81/26/1059878126.db2.gz VULAYZWSLGRAPU-GOSISDBHSA-N 1 2 368.485 2.589 20 30 FFEDLO COCCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001355086822 1059878134 /nfs/dbraw/zinc/87/81/34/1059878134.db2.gz VULAYZWSLGRAPU-GOSISDBHSA-N 1 2 368.485 2.589 20 30 FFEDLO CC#CCCCC(=O)N1CCCC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001521213571 1060468489 /nfs/dbraw/zinc/46/84/89/1060468489.db2.gz HTDSFDGIKWQUTR-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO CC#CCCCC(=O)N1CCCC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001521213571 1060468498 /nfs/dbraw/zinc/46/84/98/1060468498.db2.gz HTDSFDGIKWQUTR-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1Cc2cccc(OC)c2C1 ZINC001355967694 1060769340 /nfs/dbraw/zinc/76/93/40/1060769340.db2.gz MEXTVPGOCPSOBI-UHFFFAOYSA-N 1 2 353.470 2.979 20 30 FFEDLO COc1cc2c(cc1OC)[C@H](C1CC1)[N@H+](CC(=O)NC1(C#N)CCC1)CC2 ZINC001460760973 1061090943 /nfs/dbraw/zinc/09/09/43/1061090943.db2.gz SQGGKCJZKMYDEF-FQEVSTJZSA-N 1 2 369.465 2.575 20 30 FFEDLO COc1cc2c(cc1OC)[C@H](C1CC1)[N@@H+](CC(=O)NC1(C#N)CCC1)CC2 ZINC001460760973 1061090950 /nfs/dbraw/zinc/09/09/50/1061090950.db2.gz SQGGKCJZKMYDEF-FQEVSTJZSA-N 1 2 369.465 2.575 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001475651504 1061182702 /nfs/dbraw/zinc/18/27/02/1061182702.db2.gz QWTXJMRZSCZDQC-OALUTQOASA-N 1 2 367.474 2.514 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001475651504 1061182710 /nfs/dbraw/zinc/18/27/10/1061182710.db2.gz QWTXJMRZSCZDQC-OALUTQOASA-N 1 2 367.474 2.514 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001521910557 1061225296 /nfs/dbraw/zinc/22/52/96/1061225296.db2.gz YMFFYJKKRLXQRA-HZPDHXFCSA-N 1 2 368.481 2.761 20 30 FFEDLO C[C@H]1C[N@H+](CCNC(=O)Nc2scc(C(C)(C)C)c2C#N)CCO1 ZINC001476647238 1061449664 /nfs/dbraw/zinc/44/96/64/1061449664.db2.gz MPSXQKMAXYWGNH-LBPRGKRZSA-N 1 2 350.488 2.759 20 30 FFEDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2scc(C(C)(C)C)c2C#N)CCO1 ZINC001476647238 1061449673 /nfs/dbraw/zinc/44/96/73/1061449673.db2.gz MPSXQKMAXYWGNH-LBPRGKRZSA-N 1 2 350.488 2.759 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C)CC1 ZINC000939912342 1061498256 /nfs/dbraw/zinc/49/82/56/1061498256.db2.gz JOTMHIHAOCAASG-AUUYWEPGSA-N 1 2 366.465 2.886 20 30 FFEDLO N#Cc1ccnc(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)c1 ZINC001462640998 1061704036 /nfs/dbraw/zinc/70/40/36/1061704036.db2.gz FYBQJVSHYARYIP-UHFFFAOYSA-N 1 2 357.417 2.785 20 30 FFEDLO C=C(CO)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001463800186 1062267439 /nfs/dbraw/zinc/26/74/39/1062267439.db2.gz KPIQPSOXTCOGSA-UHFFFAOYSA-N 1 2 360.454 2.747 20 30 FFEDLO N#CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC001523113366 1062384029 /nfs/dbraw/zinc/38/40/29/1062384029.db2.gz CHKRVOZKGVYUFY-NHCUHLMSSA-N 1 2 363.461 2.701 20 30 FFEDLO N#CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC001523113366 1062384050 /nfs/dbraw/zinc/38/40/50/1062384050.db2.gz CHKRVOZKGVYUFY-NHCUHLMSSA-N 1 2 363.461 2.701 20 30 FFEDLO COCCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)C[C@H](C)C#N ZINC001523611325 1062542605 /nfs/dbraw/zinc/54/26/05/1062542605.db2.gz FJVCHSGTRPEVFU-SJORKVTESA-N 1 2 370.501 2.713 20 30 FFEDLO COCCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)C[C@H](C)C#N ZINC001523611325 1062542622 /nfs/dbraw/zinc/54/26/22/1062542622.db2.gz FJVCHSGTRPEVFU-SJORKVTESA-N 1 2 370.501 2.713 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2csc3ccc(Cl)cc32)C1 ZINC001464498178 1062646825 /nfs/dbraw/zinc/64/68/25/1062646825.db2.gz QPWIQSUTGBDCSW-CYBMUJFWSA-N 1 2 368.911 2.931 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2csc3ccc(Cl)cc32)C1 ZINC001464498178 1062646830 /nfs/dbraw/zinc/64/68/30/1062646830.db2.gz QPWIQSUTGBDCSW-CYBMUJFWSA-N 1 2 368.911 2.931 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)/C=C/c2ccc[nH]2)[C@H]1CC ZINC001479633657 1062663425 /nfs/dbraw/zinc/66/34/25/1062663425.db2.gz OHWXBJDJMHMEEF-MFHOCJEASA-N 1 2 352.276 2.906 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc[nH]2)[C@H]1CC ZINC001479633657 1062663432 /nfs/dbraw/zinc/66/34/32/1062663432.db2.gz OHWXBJDJMHMEEF-MFHOCJEASA-N 1 2 352.276 2.906 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nc(-c3ccc(C)cc3)no2)[C@@H]1C ZINC001479703686 1062833304 /nfs/dbraw/zinc/83/33/04/1062833304.db2.gz MJFZJCWMZWAEJD-AEFFLSMTSA-N 1 2 366.465 2.928 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(-c3ccc(C)cc3)no2)[C@@H]1C ZINC001479703686 1062833326 /nfs/dbraw/zinc/83/33/26/1062833326.db2.gz MJFZJCWMZWAEJD-AEFFLSMTSA-N 1 2 366.465 2.928 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](C#N)C1 ZINC001524519942 1062877497 /nfs/dbraw/zinc/87/74/97/1062877497.db2.gz MSHQCFWJAQNPDR-SJORKVTESA-N 1 2 360.506 2.601 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](C#N)C1 ZINC001524519942 1062877505 /nfs/dbraw/zinc/87/75/05/1062877505.db2.gz MSHQCFWJAQNPDR-SJORKVTESA-N 1 2 360.506 2.601 20 30 FFEDLO C=CC[C@H]1CCCN(c2nnc(Cc3[nH+]ccn3C)n2C[C@H]2CCCO2)C1 ZINC001525116783 1063155322 /nfs/dbraw/zinc/15/53/22/1063155322.db2.gz QTYZAQGFMBJUEN-DLBZAZTESA-N 1 2 370.501 2.574 20 30 FFEDLO CC[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001495087502 1063441460 /nfs/dbraw/zinc/44/14/60/1063441460.db2.gz IGOSQNPRGHPXER-GJZGRUSLSA-N 1 2 355.490 2.897 20 30 FFEDLO COc1cc([C@@H](C#N)NC(=O)c2cc3c[nH+]ccc3[nH]2)cc(OC)c1OC ZINC001442585968 1063543740 /nfs/dbraw/zinc/54/37/40/1063543740.db2.gz YXWGNWUSQPPXFJ-OAHLLOKOSA-N 1 2 366.377 2.583 20 30 FFEDLO C=CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001466893172 1063586277 /nfs/dbraw/zinc/58/62/77/1063586277.db2.gz RWGZKFHSEYQGRN-APWZRJJASA-N 1 2 369.465 2.777 20 30 FFEDLO C=CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001466893172 1063586288 /nfs/dbraw/zinc/58/62/88/1063586288.db2.gz RWGZKFHSEYQGRN-APWZRJJASA-N 1 2 369.465 2.777 20 30 FFEDLO C#C[C@H](NC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1)C(C)(C)C ZINC001471101394 1064559246 /nfs/dbraw/zinc/55/92/46/1064559246.db2.gz MBIBWIQPLVRWMT-OALUTQOASA-N 1 2 357.498 2.543 20 30 FFEDLO C#C[C@H](NC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1)C(C)(C)C ZINC001471101394 1064559261 /nfs/dbraw/zinc/55/92/61/1064559261.db2.gz MBIBWIQPLVRWMT-OALUTQOASA-N 1 2 357.498 2.543 20 30 FFEDLO C=CCC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)c2cccc(F)c2)CC1 ZINC001575097443 1078106794 /nfs/dbraw/zinc/10/67/94/1078106794.db2.gz KUQCPWKGKWAUOW-UHFFFAOYSA-N 1 2 357.433 2.627 20 30 FFEDLO C=CCC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)C2CCC(F)CC2)CC1 ZINC001575097794 1078106897 /nfs/dbraw/zinc/10/68/97/1078106897.db2.gz QZAHXSPZAGGACV-UHFFFAOYSA-N 1 2 363.481 2.702 20 30 FFEDLO C#CC[N@@H+](Cc1nc(CC)cc(=O)[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001473796883 1065365084 /nfs/dbraw/zinc/36/50/84/1065365084.db2.gz JSFCCXZMNQGTIS-UHFFFAOYSA-N 1 2 374.485 2.579 20 30 FFEDLO C#CC[N@H+](Cc1nc(CC)cc(=O)[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001473796883 1065365089 /nfs/dbraw/zinc/36/50/89/1065365089.db2.gz JSFCCXZMNQGTIS-UHFFFAOYSA-N 1 2 374.485 2.579 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@H]2C[C@H]21 ZINC001473856136 1065392343 /nfs/dbraw/zinc/39/23/43/1065392343.db2.gz ZOIPPNLRTADURS-DLBZAZTESA-N 1 2 370.453 2.580 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@H]2C[C@H]21 ZINC001473856136 1065392347 /nfs/dbraw/zinc/39/23/47/1065392347.db2.gz ZOIPPNLRTADURS-DLBZAZTESA-N 1 2 370.453 2.580 20 30 FFEDLO C#Cc1cccc(N(CC)S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)c1 ZINC001474938594 1065652084 /nfs/dbraw/zinc/65/20/84/1065652084.db2.gz XJJDCCOPFQWARC-UHFFFAOYSA-N 1 2 354.475 2.871 20 30 FFEDLO C#Cc1cccc(N(CC)S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)c1 ZINC001474938594 1065652089 /nfs/dbraw/zinc/65/20/89/1065652089.db2.gz XJJDCCOPFQWARC-UHFFFAOYSA-N 1 2 354.475 2.871 20 30 FFEDLO C#CCn1ccc(CN(CC)C(=O)c2c[nH+]ccc2Nc2ccccc2)n1 ZINC001556460889 1075743325 /nfs/dbraw/zinc/74/33/25/1075743325.db2.gz HSBPSQOUEJAJDI-UHFFFAOYSA-N 1 2 359.433 2.739 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cccc3nsnc32)[C@@H](C#N)C1 ZINC001560739683 1076295709 /nfs/dbraw/zinc/29/57/09/1076295709.db2.gz QVFNXWRAQDOQRY-JSGCOSHPSA-N 1 2 359.455 2.540 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCCC)C[C@H]1c1ccccc1 ZINC001565885135 1076780149 /nfs/dbraw/zinc/78/01/49/1076780149.db2.gz OQWRTQHCNZEYND-RBUKOAKNSA-N 1 2 371.525 2.699 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)NCCC)C[C@H]1c1ccccc1 ZINC001565885135 1076780152 /nfs/dbraw/zinc/78/01/52/1076780152.db2.gz OQWRTQHCNZEYND-RBUKOAKNSA-N 1 2 371.525 2.699 20 30 FFEDLO COc1ccc2nc(C[N@@H+]3CC[C@H](NC(=O)[C@H](C)C#N)[C@H]3C)sc2c1 ZINC001566083018 1076889467 /nfs/dbraw/zinc/88/94/67/1076889467.db2.gz XGIMXIKYADILAD-BZPMIXESSA-N 1 2 358.467 2.544 20 30 FFEDLO COc1ccc2nc(C[N@H+]3CC[C@H](NC(=O)[C@H](C)C#N)[C@H]3C)sc2c1 ZINC001566083018 1076889470 /nfs/dbraw/zinc/88/94/70/1076889470.db2.gz XGIMXIKYADILAD-BZPMIXESSA-N 1 2 358.467 2.544 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001569138954 1077131470 /nfs/dbraw/zinc/13/14/70/1077131470.db2.gz IIMCQVYETRVEPW-IPELMVKDSA-N 1 2 369.465 2.869 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001569138954 1077131474 /nfs/dbraw/zinc/13/14/74/1077131474.db2.gz IIMCQVYETRVEPW-IPELMVKDSA-N 1 2 369.465 2.869 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001569138955 1077131489 /nfs/dbraw/zinc/13/14/89/1077131489.db2.gz IIMCQVYETRVEPW-LZQZEXGQSA-N 1 2 369.465 2.869 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001569138955 1077131494 /nfs/dbraw/zinc/13/14/94/1077131494.db2.gz IIMCQVYETRVEPW-LZQZEXGQSA-N 1 2 369.465 2.869 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](CNC(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001573174123 1077558203 /nfs/dbraw/zinc/55/82/03/1077558203.db2.gz UGZATZRVFMRAPR-YESZJQIVSA-N 1 2 358.486 2.592 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001573865997 1077826790 /nfs/dbraw/zinc/82/67/90/1077826790.db2.gz PJJLBXMJVNKURX-BFYDXBDKSA-N 1 2 368.481 2.990 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C)C1 ZINC001573910194 1077844222 /nfs/dbraw/zinc/84/42/22/1077844222.db2.gz STLBJPLGEFFPMG-GDBMZVCRSA-N 1 2 366.465 2.744 20 30 FFEDLO C=CCCC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C3)CC1 ZINC001574253117 1077939787 /nfs/dbraw/zinc/93/97/87/1077939787.db2.gz LFBNUPBOINRRSV-RANZSIQMSA-N 1 2 370.497 2.583 20 30 FFEDLO C=CCCC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C3)CC1 ZINC001574253117 1077939792 /nfs/dbraw/zinc/93/97/92/1077939792.db2.gz LFBNUPBOINRRSV-RANZSIQMSA-N 1 2 370.497 2.583 20 30 FFEDLO C#CCN(CC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001588284685 1079962902 /nfs/dbraw/zinc/96/29/02/1079962902.db2.gz YGQPPNRVISGTSH-UHFFFAOYSA-N 1 2 364.453 2.815 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2CCCSCC)CC1 ZINC001588811317 1080204779 /nfs/dbraw/zinc/20/47/79/1080204779.db2.gz GGLHZUKSUDAFFZ-UHFFFAOYSA-N 1 2 361.559 2.834 20 30 FFEDLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101728724 250086051 /nfs/dbraw/zinc/08/60/51/250086051.db2.gz ILFKOWMTEYWVPF-OKZBNKHCSA-N 1 2 354.498 2.858 20 30 FFEDLO C[C@H](c1ccc(C#N)cc1)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000118392385 250385580 /nfs/dbraw/zinc/38/55/80/250385580.db2.gz RJNZBXWZKANECF-ZWKOTPCHSA-N 1 2 354.498 2.638 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c1C#N ZINC000186838416 251274059 /nfs/dbraw/zinc/27/40/59/251274059.db2.gz IYIZZHFUIDWDKG-AUUYWEPGSA-N 1 2 366.465 2.607 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@@H](O)[C@H](C)C2)c1C#N ZINC000186838416 251274061 /nfs/dbraw/zinc/27/40/61/251274061.db2.gz IYIZZHFUIDWDKG-AUUYWEPGSA-N 1 2 366.465 2.607 20 30 FFEDLO CC(=O)c1ccc(C#N)c(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c1 ZINC000272534737 252061349 /nfs/dbraw/zinc/06/13/49/252061349.db2.gz PDGOYINPYWYSNX-CQSZACIVSA-N 1 2 350.422 2.993 20 30 FFEDLO C[C@](O)(CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000272698069 252106742 /nfs/dbraw/zinc/10/67/42/252106742.db2.gz XRDKAMWXQSYXFZ-QFIPXVFZSA-N 1 2 363.461 2.500 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372995180 512123759 /nfs/dbraw/zinc/12/37/59/512123759.db2.gz AMEYGZRYFUCAJG-QGZVFWFLSA-N 1 2 365.481 2.987 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCO1 ZINC000278687460 256338022 /nfs/dbraw/zinc/33/80/22/256338022.db2.gz GQYPOPPKPUSUBK-HOCLYGCPSA-N 1 2 370.457 2.890 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(C#N)c1C ZINC000286357167 257032992 /nfs/dbraw/zinc/03/29/92/257032992.db2.gz FTUYQZJHSSECHP-ZKYQVNSYSA-N 1 2 373.375 2.588 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(C#N)c1C ZINC000286357167 257032993 /nfs/dbraw/zinc/03/29/93/257032993.db2.gz FTUYQZJHSSECHP-ZKYQVNSYSA-N 1 2 373.375 2.588 20 30 FFEDLO N#Cc1ccc(N2CC[C@H](C(=O)NCCCNc3cccc[nH+]3)C2)c(F)c1 ZINC000286307960 257030246 /nfs/dbraw/zinc/03/02/46/257030246.db2.gz PKYKRNDIVUTFCZ-INIZCTEOSA-N 1 2 367.428 2.537 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccn1 ZINC000286732853 257052136 /nfs/dbraw/zinc/05/21/36/257052136.db2.gz BRRHHITUCRDQEJ-UHFFFAOYSA-N 1 2 358.829 2.694 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccn1 ZINC000286732853 257052137 /nfs/dbraw/zinc/05/21/37/257052137.db2.gz BRRHHITUCRDQEJ-UHFFFAOYSA-N 1 2 358.829 2.694 20 30 FFEDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C[C@H]1C ZINC000287663081 257101223 /nfs/dbraw/zinc/10/12/23/257101223.db2.gz HGVIUTCMFAJOGZ-IAQYHMDHSA-N 1 2 351.244 2.952 20 30 FFEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C[C@H]1C ZINC000287663081 257101224 /nfs/dbraw/zinc/10/12/24/257101224.db2.gz HGVIUTCMFAJOGZ-IAQYHMDHSA-N 1 2 351.244 2.952 20 30 FFEDLO Cc1nsc(N2CCN(C(=O)Nc3ccc(C)[nH+]c3C)CC2)c1C#N ZINC000290051656 257313068 /nfs/dbraw/zinc/31/30/68/257313068.db2.gz UBVNSHYMRUUAIK-UHFFFAOYSA-N 1 2 356.455 2.689 20 30 FFEDLO N#Cc1cc(NC(=O)N2CCn3c[nH+]cc3C2)ccc1OC(F)(F)F ZINC000290564229 257342155 /nfs/dbraw/zinc/34/21/55/257342155.db2.gz DTSWSAKNFMEGRJ-UHFFFAOYSA-N 1 2 351.288 2.701 20 30 FFEDLO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000293210217 257536787 /nfs/dbraw/zinc/53/67/87/257536787.db2.gz GGUAZAGOGLPSPI-ZDUSSCGKSA-N 1 2 371.300 2.577 20 30 FFEDLO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000293210217 257536788 /nfs/dbraw/zinc/53/67/88/257536788.db2.gz GGUAZAGOGLPSPI-ZDUSSCGKSA-N 1 2 371.300 2.577 20 30 FFEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000301200526 258033532 /nfs/dbraw/zinc/03/35/32/258033532.db2.gz PHUCNBKUBXWDKI-AWEZNQCLSA-N 1 2 360.889 2.781 20 30 FFEDLO Cc1oc(NC(=O)C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c(C#N)c1C ZINC000330760289 258170105 /nfs/dbraw/zinc/17/01/05/258170105.db2.gz LHYZETHNSGWBPB-AWEZNQCLSA-N 1 2 374.485 2.579 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](O)C2)c1C#N ZINC000331538751 258189816 /nfs/dbraw/zinc/18/98/16/258189816.db2.gz GGXDWYQNZAVWFV-LIRRHRJNSA-N 1 2 366.465 2.607 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](O)C2)c1C#N ZINC000331538751 258189817 /nfs/dbraw/zinc/18/98/17/258189817.db2.gz GGXDWYQNZAVWFV-LIRRHRJNSA-N 1 2 366.465 2.607 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)N2CCN(c3c[nH+]ccc3C)CC2)c(C#N)c1C ZINC000331885368 258204530 /nfs/dbraw/zinc/20/45/30/258204530.db2.gz QPKDGVHPVTXQNR-HNNXBMFYSA-N 1 2 367.453 2.621 20 30 FFEDLO C[C@H]1CCCC[C@H]1OCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000332015148 258210387 /nfs/dbraw/zinc/21/03/87/258210387.db2.gz OYEOWNIVWVPIAZ-FXAWDEMLSA-N 1 2 355.482 2.798 20 30 FFEDLO Cc1cccc2[nH+]c(CNC(=O)c3ccn(-c4cccc(C#N)c4)n3)cn21 ZINC000409690660 512126138 /nfs/dbraw/zinc/12/61/38/512126138.db2.gz WLGDTLFKTBAFLT-UHFFFAOYSA-N 1 2 356.389 2.630 20 30 FFEDLO C=CCOc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000032275929 506238750 /nfs/dbraw/zinc/23/87/50/506238750.db2.gz CVOWWEURWDJNFA-NRFANRHFSA-N 1 2 366.461 2.882 20 30 FFEDLO C=CCOc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000032275929 506238758 /nfs/dbraw/zinc/23/87/58/506238758.db2.gz CVOWWEURWDJNFA-NRFANRHFSA-N 1 2 366.461 2.882 20 30 FFEDLO CCc1ncc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000065105931 506260571 /nfs/dbraw/zinc/26/05/71/506260571.db2.gz KZAUIXPZUIJSNR-UHFFFAOYSA-N 1 2 354.479 2.925 20 30 FFEDLO CCc1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000065105931 506260575 /nfs/dbraw/zinc/26/05/75/506260575.db2.gz KZAUIXPZUIJSNR-UHFFFAOYSA-N 1 2 354.479 2.925 20 30 FFEDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c(C)c1 ZINC000032832612 506301444 /nfs/dbraw/zinc/30/14/44/506301444.db2.gz LYELFYAPDYXXET-UWJYYQICSA-N 1 2 372.513 2.925 20 30 FFEDLO Cc1cc(C)c(NC(=O)C[N@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c(C)c1 ZINC000032832612 506301450 /nfs/dbraw/zinc/30/14/50/506301450.db2.gz LYELFYAPDYXXET-UWJYYQICSA-N 1 2 372.513 2.925 20 30 FFEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H](C)O2 ZINC000366783581 512185787 /nfs/dbraw/zinc/18/57/87/512185787.db2.gz CIHFXCAFAPIGQV-DBXWQHBBSA-N 1 2 371.481 2.592 20 30 FFEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H](C)O2 ZINC000366783581 512185790 /nfs/dbraw/zinc/18/57/90/512185790.db2.gz CIHFXCAFAPIGQV-DBXWQHBBSA-N 1 2 371.481 2.592 20 30 FFEDLO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1cccs1 ZINC000065949478 506399236 /nfs/dbraw/zinc/39/92/36/506399236.db2.gz NKGLMNVZQQBRFQ-UHFFFAOYSA-N 1 2 351.435 2.876 20 30 FFEDLO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1cccs1 ZINC000065949478 506399243 /nfs/dbraw/zinc/39/92/43/506399243.db2.gz NKGLMNVZQQBRFQ-UHFFFAOYSA-N 1 2 351.435 2.876 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccccc1OCC#N)c1ccccc1F ZINC000377460760 512279113 /nfs/dbraw/zinc/27/91/13/512279113.db2.gz PEIRMRCEWWHASM-SFHVURJKSA-N 1 2 364.380 2.981 20 30 FFEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1cc(Br)cs1 ZINC000054989724 506657297 /nfs/dbraw/zinc/65/72/97/506657297.db2.gz RZBSXMNICUDBBF-UHFFFAOYSA-N 1 2 369.288 2.598 20 30 FFEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1cc(Br)cs1 ZINC000054989724 506657302 /nfs/dbraw/zinc/65/73/02/506657302.db2.gz RZBSXMNICUDBBF-UHFFFAOYSA-N 1 2 369.288 2.598 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066900038 506687440 /nfs/dbraw/zinc/68/74/40/506687440.db2.gz SUFYTLXJRRPEQF-OXQOHEQNSA-N 1 2 357.454 2.649 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066900038 506687444 /nfs/dbraw/zinc/68/74/44/506687444.db2.gz SUFYTLXJRRPEQF-OXQOHEQNSA-N 1 2 357.454 2.649 20 30 FFEDLO N#Cc1ccc(OCC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000067523264 506908705 /nfs/dbraw/zinc/90/87/05/506908705.db2.gz NGLFIZSMGDYBQJ-UHFFFAOYSA-N 1 2 350.353 2.578 20 30 FFEDLO CCCCCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(C#N)c(C)n1 ZINC000067873251 507033568 /nfs/dbraw/zinc/03/35/68/507033568.db2.gz FBDHLFGODLJEDI-UHFFFAOYSA-N 1 2 358.486 2.616 20 30 FFEDLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000373411694 512317593 /nfs/dbraw/zinc/31/75/93/512317593.db2.gz GUCRPDNTBKAPEE-KXBFYZLASA-N 1 2 355.463 2.810 20 30 FFEDLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000373411694 512317596 /nfs/dbraw/zinc/31/75/96/512317596.db2.gz GUCRPDNTBKAPEE-KXBFYZLASA-N 1 2 355.463 2.810 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccnn1Cc1cccs1)Cc1cccc(C#N)c1 ZINC000046518366 507147207 /nfs/dbraw/zinc/14/72/07/507147207.db2.gz ZLMANMYLMLKROW-UHFFFAOYSA-N 1 2 365.462 2.935 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccnn1Cc1cccs1)Cc1cccc(C#N)c1 ZINC000046518366 507147215 /nfs/dbraw/zinc/14/72/15/507147215.db2.gz ZLMANMYLMLKROW-UHFFFAOYSA-N 1 2 365.462 2.935 20 30 FFEDLO CCn1c2nnc(C[N@H+](C)Cc3ccc(C#N)cc3)n2c2ccccc2c1=O ZINC000046528211 507150781 /nfs/dbraw/zinc/15/07/81/507150781.db2.gz WMTXGVBYTMWYBA-UHFFFAOYSA-N 1 2 372.432 2.568 20 30 FFEDLO CCn1c2nnc(C[N@@H+](C)Cc3ccc(C#N)cc3)n2c2ccccc2c1=O ZINC000046528211 507150786 /nfs/dbraw/zinc/15/07/86/507150786.db2.gz WMTXGVBYTMWYBA-UHFFFAOYSA-N 1 2 372.432 2.568 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000367073481 512325191 /nfs/dbraw/zinc/32/51/91/512325191.db2.gz SSLHQMNSUXWKCV-UHFFFAOYSA-N 1 2 367.365 2.955 20 30 FFEDLO N#Cc1ccc(NC(=O)CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000022040366 507278034 /nfs/dbraw/zinc/27/80/34/507278034.db2.gz YHOZSISCFLGKCC-QPJJXVBHSA-N 1 2 360.461 2.828 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375440307 512329689 /nfs/dbraw/zinc/32/96/89/512329689.db2.gz WALDSMSOZLDKEY-CVEARBPZSA-N 1 2 352.394 2.522 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375440307 512329690 /nfs/dbraw/zinc/32/96/90/512329690.db2.gz WALDSMSOZLDKEY-CVEARBPZSA-N 1 2 352.394 2.522 20 30 FFEDLO CCN(C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000022778737 507309602 /nfs/dbraw/zinc/30/96/02/507309602.db2.gz GSMFCKMXSZINGX-UHFFFAOYSA-N 1 2 368.525 2.857 20 30 FFEDLO CCN(C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000022778737 507309609 /nfs/dbraw/zinc/30/96/09/507309609.db2.gz GSMFCKMXSZINGX-UHFFFAOYSA-N 1 2 368.525 2.857 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000047540132 507354314 /nfs/dbraw/zinc/35/43/14/507354314.db2.gz SBANGNJZKXVYNF-CQSZACIVSA-N 1 2 372.469 2.874 20 30 FFEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)cc1 ZINC000069647631 507527851 /nfs/dbraw/zinc/52/78/51/507527851.db2.gz YCDNMDZVWAOQQO-UHFFFAOYSA-N 1 2 367.453 2.656 20 30 FFEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000367130596 512351667 /nfs/dbraw/zinc/35/16/67/512351667.db2.gz ZCQRNFYDSAIJSB-HXUWFJFHSA-N 1 2 360.417 2.832 20 30 FFEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000367130596 512351674 /nfs/dbraw/zinc/35/16/74/512351674.db2.gz ZCQRNFYDSAIJSB-HXUWFJFHSA-N 1 2 360.417 2.832 20 30 FFEDLO COc1cc(OC)cc(C(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000027765067 507681753 /nfs/dbraw/zinc/68/17/53/507681753.db2.gz VPZORTSDZWAELH-UHFFFAOYSA-N 1 2 365.433 2.533 20 30 FFEDLO N#Cc1cc(S(=O)(=O)Nc2ccn(-c3cc[nH+]cc3)n2)ccc1Cl ZINC000071091989 507693714 /nfs/dbraw/zinc/69/37/14/507693714.db2.gz HYEVNHUBZVENPK-UHFFFAOYSA-N 1 2 359.798 2.593 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000063300634 507713537 /nfs/dbraw/zinc/71/35/37/507713537.db2.gz IPWIYWOXPKVRCA-QFBILLFUSA-N 1 2 368.481 2.951 20 30 FFEDLO C=CC[N@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000063300634 507713544 /nfs/dbraw/zinc/71/35/44/507713544.db2.gz IPWIYWOXPKVRCA-QFBILLFUSA-N 1 2 368.481 2.951 20 30 FFEDLO CC[NH+](CC)[C@H](CNC(=O)c1cc(C#N)c(SC)[nH]c1=O)c1ccco1 ZINC000063698575 507759692 /nfs/dbraw/zinc/75/96/92/507759692.db2.gz BHUZTYYNBMBREG-CQSZACIVSA-N 1 2 374.466 2.787 20 30 FFEDLO Cc1cccc([C@H](CNc2nnc(C)c(C)c2C#N)[NH+]2CCOCC2)c1 ZINC000029626538 507784614 /nfs/dbraw/zinc/78/46/14/507784614.db2.gz JNQNHNTVTISSFN-IBGZPJMESA-N 1 2 351.454 2.759 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000072899828 507870975 /nfs/dbraw/zinc/87/09/75/507870975.db2.gz RHRQGGWCYPLQQE-GARJFASQSA-N 1 2 359.314 2.667 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000072899828 507870973 /nfs/dbraw/zinc/87/09/73/507870973.db2.gz RHRQGGWCYPLQQE-GARJFASQSA-N 1 2 359.314 2.667 20 30 FFEDLO CCn1cc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cn1 ZINC000072981156 507880306 /nfs/dbraw/zinc/88/03/06/507880306.db2.gz AJJNHASVJSINFD-HNNXBMFYSA-N 1 2 357.433 2.809 20 30 FFEDLO CCn1cc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cn1 ZINC000072981156 507880308 /nfs/dbraw/zinc/88/03/08/507880308.db2.gz AJJNHASVJSINFD-HNNXBMFYSA-N 1 2 357.433 2.809 20 30 FFEDLO C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000078616003 507889640 /nfs/dbraw/zinc/88/96/40/507889640.db2.gz QXBHBGPATMUDLR-GHTZIAJQSA-N 1 2 362.477 2.920 20 30 FFEDLO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108815 507894588 /nfs/dbraw/zinc/89/45/88/507894588.db2.gz UCYSJTCTYRZABC-OAHLLOKOSA-N 1 2 360.421 2.886 20 30 FFEDLO N#CCSc1cccc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000079506271 507970112 /nfs/dbraw/zinc/97/01/12/507970112.db2.gz OVNWZXCUCKDENT-UHFFFAOYSA-N 1 2 352.463 2.655 20 30 FFEDLO COC(=O)c1ccccc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000092596660 508085101 /nfs/dbraw/zinc/08/51/01/508085101.db2.gz OPTDNANMEOORQM-UHFFFAOYSA-N 1 2 353.397 2.806 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](CC)O[C@@H](C)C2)cc1 ZINC000111273915 508085347 /nfs/dbraw/zinc/08/53/47/508085347.db2.gz XNSQOARPFAKSTN-FUHWJXTLSA-N 1 2 359.470 2.831 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](CC)O[C@@H](C)C2)cc1 ZINC000111273915 508085350 /nfs/dbraw/zinc/08/53/50/508085350.db2.gz XNSQOARPFAKSTN-FUHWJXTLSA-N 1 2 359.470 2.831 20 30 FFEDLO C[C@@H](O)C1CC[NH+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000111285124 508086225 /nfs/dbraw/zinc/08/62/25/508086225.db2.gz IRFSBVFKPHKYRR-LSDHHAIUSA-N 1 2 361.511 2.970 20 30 FFEDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)o1 ZINC000092612881 508086511 /nfs/dbraw/zinc/08/65/11/508086511.db2.gz ZOUSITCTKTYSBZ-UHFFFAOYSA-N 1 2 357.385 2.789 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000075299045 508095674 /nfs/dbraw/zinc/09/56/74/508095674.db2.gz RQHIDAWDVJTQRX-AEFFLSMTSA-N 1 2 358.405 2.574 20 30 FFEDLO N#CC1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000111509559 508105528 /nfs/dbraw/zinc/10/55/28/508105528.db2.gz KSPCXVOEGCZQFY-HNNXBMFYSA-N 1 2 362.424 2.874 20 30 FFEDLO N#CC1CCN(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000111509559 508105530 /nfs/dbraw/zinc/10/55/30/508105530.db2.gz KSPCXVOEGCZQFY-HNNXBMFYSA-N 1 2 362.424 2.874 20 30 FFEDLO CNC(=O)c1ccc(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000075613245 508121690 /nfs/dbraw/zinc/12/16/90/508121690.db2.gz DHHJPQGLOSQFPL-UHFFFAOYSA-N 1 2 361.405 2.600 20 30 FFEDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000075613245 508121693 /nfs/dbraw/zinc/12/16/93/508121693.db2.gz DHHJPQGLOSQFPL-UHFFFAOYSA-N 1 2 361.405 2.600 20 30 FFEDLO COc1ccc([C@@H](CO)[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000075742439 508132127 /nfs/dbraw/zinc/13/21/27/508132127.db2.gz AEZRIVPYEHWEIW-GOSISDBHSA-N 1 2 364.405 2.782 20 30 FFEDLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000075742439 508132130 /nfs/dbraw/zinc/13/21/30/508132130.db2.gz AEZRIVPYEHWEIW-GOSISDBHSA-N 1 2 364.405 2.782 20 30 FFEDLO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1cccc(OCCCC#N)c1)C1CC1 ZINC000093392175 508143657 /nfs/dbraw/zinc/14/36/57/508143657.db2.gz NIFJDDBUCWZREZ-HNNXBMFYSA-N 1 2 350.484 2.767 20 30 FFEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1cccc(OCCCC#N)c1)C1CC1 ZINC000093392175 508143658 /nfs/dbraw/zinc/14/36/58/508143658.db2.gz NIFJDDBUCWZREZ-HNNXBMFYSA-N 1 2 350.484 2.767 20 30 FFEDLO Cc1ccccc1OCC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512383 508183905 /nfs/dbraw/zinc/18/39/05/508183905.db2.gz PLJWBIXMENFYSK-UHFFFAOYSA-N 1 2 358.463 2.651 20 30 FFEDLO Cc1ccccc1OCC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512383 508183907 /nfs/dbraw/zinc/18/39/07/508183907.db2.gz PLJWBIXMENFYSK-UHFFFAOYSA-N 1 2 358.463 2.651 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C(=O)NCc2[nH+]ccn2CC(C)C)c1 ZINC000076375651 508195536 /nfs/dbraw/zinc/19/55/36/508195536.db2.gz UEWYFXPDTZCKRW-UHFFFAOYSA-N 1 2 370.453 2.749 20 30 FFEDLO Cc1nc(C2([NH2+]CC(=O)NC3(C#N)CCCCC3)CCCCCC2)no1 ZINC000101546216 508244009 /nfs/dbraw/zinc/24/40/09/508244009.db2.gz YMVLCVTXIHOODY-UHFFFAOYSA-N 1 2 359.474 2.860 20 30 FFEDLO N#CC1CC[NH+]([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000113931101 508286261 /nfs/dbraw/zinc/28/62/61/508286261.db2.gz RAAWOZZZSWYLRF-OAHLLOKOSA-N 1 2 353.344 2.926 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000077387163 508308868 /nfs/dbraw/zinc/30/88/68/508308868.db2.gz FTDLHRMXXQKAIU-UHFFFAOYSA-N 1 2 352.419 2.531 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)Cc1ccco1 ZINC000115290416 508381475 /nfs/dbraw/zinc/38/14/75/508381475.db2.gz BFTASLFOMNXRPO-UHFFFAOYSA-N 1 2 358.442 2.677 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)Cc1ccco1 ZINC000115290416 508381477 /nfs/dbraw/zinc/38/14/77/508381477.db2.gz BFTASLFOMNXRPO-UHFFFAOYSA-N 1 2 358.442 2.677 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1F ZINC000089123374 508388236 /nfs/dbraw/zinc/38/82/36/508388236.db2.gz WVZLKUBVXCUJDZ-UHFFFAOYSA-N 1 2 353.397 2.806 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115569981 508409867 /nfs/dbraw/zinc/40/98/67/508409867.db2.gz BXTFEEBHYKMNOP-LJQANCHMSA-N 1 2 362.433 2.624 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115569981 508409873 /nfs/dbraw/zinc/40/98/73/508409873.db2.gz BXTFEEBHYKMNOP-LJQANCHMSA-N 1 2 362.433 2.624 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@@H+](CCO)Cc2cccnc2)c2ccccc21 ZINC000152341641 508427501 /nfs/dbraw/zinc/42/75/01/508427501.db2.gz FEJQHMDFCBJRGQ-UHFFFAOYSA-N 1 2 362.433 2.627 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@H+](CCO)Cc2cccnc2)c2ccccc21 ZINC000152341641 508427502 /nfs/dbraw/zinc/42/75/02/508427502.db2.gz FEJQHMDFCBJRGQ-UHFFFAOYSA-N 1 2 362.433 2.627 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152376996 508434186 /nfs/dbraw/zinc/43/41/86/508434186.db2.gz CADYLFSWFFCRCQ-SJORKVTESA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152376996 508434190 /nfs/dbraw/zinc/43/41/90/508434190.db2.gz CADYLFSWFFCRCQ-SJORKVTESA-N 1 2 358.804 2.921 20 30 FFEDLO CC1CCN(c2ccc(CNS(=O)(=O)c3ccccc3C#N)c[nH+]2)CC1 ZINC000156546038 508436682 /nfs/dbraw/zinc/43/66/82/508436682.db2.gz KLIULVASOHOMCC-UHFFFAOYSA-N 1 2 370.478 2.668 20 30 FFEDLO CCO[C@H]1C[C@@H]([N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C12CCC2 ZINC000156859000 508488020 /nfs/dbraw/zinc/48/80/20/508488020.db2.gz MUPVRMFCWYEYQK-MSOLQXFVSA-N 1 2 362.495 2.611 20 30 FFEDLO CCO[C@H]1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C12CCC2 ZINC000156859000 508488021 /nfs/dbraw/zinc/48/80/21/508488021.db2.gz MUPVRMFCWYEYQK-MSOLQXFVSA-N 1 2 362.495 2.611 20 30 FFEDLO N#CCCn1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)n1 ZINC000117855974 508621126 /nfs/dbraw/zinc/62/11/26/508621126.db2.gz ZMFBGNRRJBCQSW-QGZVFWFLSA-N 1 2 355.467 2.525 20 30 FFEDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000135586422 508627411 /nfs/dbraw/zinc/62/74/11/508627411.db2.gz KJLGBVFLFKPZFI-INIZCTEOSA-N 1 2 369.494 2.984 20 30 FFEDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000135586422 508627415 /nfs/dbraw/zinc/62/74/15/508627415.db2.gz KJLGBVFLFKPZFI-INIZCTEOSA-N 1 2 369.494 2.984 20 30 FFEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000118390962 508649141 /nfs/dbraw/zinc/64/91/41/508649141.db2.gz WSDLIARQSMBMCJ-KRWDZBQOSA-N 1 2 369.490 2.767 20 30 FFEDLO CCCCc1[nH]c2ccc(NS(=O)(=O)c3ccc(C#N)nc3)cc2[nH+]1 ZINC000123261864 508660437 /nfs/dbraw/zinc/66/04/37/508660437.db2.gz IJHZXZQJWJVMDG-UHFFFAOYSA-N 1 2 355.423 2.973 20 30 FFEDLO N#Cc1cnn(-c2ccc(C(=O)Nc3cccc(-c4[nH]cc[nH+]4)c3)cc2)c1N ZINC000118643375 508661463 /nfs/dbraw/zinc/66/14/63/508661463.db2.gz RXMJHQLLWPGXKJ-UHFFFAOYSA-N 1 2 369.388 2.969 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000118836710 508681880 /nfs/dbraw/zinc/68/18/80/508681880.db2.gz WPYSJMWMBYEWEJ-IAGOWNOFSA-N 1 2 363.465 2.659 20 30 FFEDLO N#Cc1ccc(OC2C[NH+](C[C@@H](O)COc3cccc4[nH]ccc43)C2)cc1 ZINC000158583943 508724025 /nfs/dbraw/zinc/72/40/25/508724025.db2.gz QTHCVXJTIMGIRO-MRXNPFEDSA-N 1 2 363.417 2.542 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000158685913 508740405 /nfs/dbraw/zinc/74/04/05/508740405.db2.gz NVQZQOLPMDRJBN-FUHWJXTLSA-N 1 2 358.463 2.627 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000158685913 508740408 /nfs/dbraw/zinc/74/04/08/508740408.db2.gz NVQZQOLPMDRJBN-FUHWJXTLSA-N 1 2 358.463 2.627 20 30 FFEDLO CN(C(=O)C[N@@H+](Cc1ccco1)C[C@H]1CCCO1)C1(C#N)CCCCC1 ZINC000141766485 508819101 /nfs/dbraw/zinc/81/91/01/508819101.db2.gz UMSKWSUXWBGXMV-GOSISDBHSA-N 1 2 359.470 2.945 20 30 FFEDLO CN(C(=O)C[N@H+](Cc1ccco1)C[C@H]1CCCO1)C1(C#N)CCCCC1 ZINC000141766485 508819104 /nfs/dbraw/zinc/81/91/04/508819104.db2.gz UMSKWSUXWBGXMV-GOSISDBHSA-N 1 2 359.470 2.945 20 30 FFEDLO CC(C)(CCC#N)C[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000159490039 508849157 /nfs/dbraw/zinc/84/91/57/508849157.db2.gz LYFMADDMSOTIGD-UHFFFAOYSA-N 1 2 369.918 2.976 20 30 FFEDLO N#Cc1cccc(NCC(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000154794596 508857265 /nfs/dbraw/zinc/85/72/65/508857265.db2.gz HUXHKKYWSAOUQG-UHFFFAOYSA-N 1 2 361.405 2.884 20 30 FFEDLO CC(C)(C)c1[nH]c2ccc(NS(=O)(=O)c3ccc(C#N)nc3)cc2[nH+]1 ZINC000150801711 508895995 /nfs/dbraw/zinc/89/59/95/508895995.db2.gz KCTXVCHUEWNZLQ-UHFFFAOYSA-N 1 2 355.423 2.928 20 30 FFEDLO CCc1ccc2c(C[NH+]3CCN(c4ncccc4C#N)CC3)cc(=O)oc2c1 ZINC000119980645 508903343 /nfs/dbraw/zinc/90/33/43/508903343.db2.gz WZUNCSVYLGHRPX-UHFFFAOYSA-N 1 2 374.444 2.944 20 30 FFEDLO N#Cc1ccc(C[N@@H+](CCO)Cc2cnn(Cc3ccccc3)c2)s1 ZINC000124985865 508915049 /nfs/dbraw/zinc/91/50/49/508915049.db2.gz XKNUIIQSMACHBZ-UHFFFAOYSA-N 1 2 352.463 2.859 20 30 FFEDLO N#Cc1ccc(C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)s1 ZINC000124985865 508915052 /nfs/dbraw/zinc/91/50/52/508915052.db2.gz XKNUIIQSMACHBZ-UHFFFAOYSA-N 1 2 352.463 2.859 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)C(=O)Nc1cccc(C#N)c1 ZINC000151240493 508984208 /nfs/dbraw/zinc/98/42/08/508984208.db2.gz LEFCFWNIJSYBER-LSDHHAIUSA-N 1 2 360.421 2.817 20 30 FFEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000125517421 508993482 /nfs/dbraw/zinc/99/34/82/508993482.db2.gz XKVWFYCXFJPELB-SFHVURJKSA-N 1 2 366.465 2.954 20 30 FFEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000125517421 508993485 /nfs/dbraw/zinc/99/34/85/508993485.db2.gz XKVWFYCXFJPELB-SFHVURJKSA-N 1 2 366.465 2.954 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CCCC1(C)C ZINC000411000800 512434142 /nfs/dbraw/zinc/43/41/42/512434142.db2.gz DKJDPFGZCMMFSB-KRWDZBQOSA-N 1 2 372.513 2.771 20 30 FFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000126076148 509060676 /nfs/dbraw/zinc/06/06/76/509060676.db2.gz PLALJYUFGLEVIX-ZDUSSCGKSA-N 1 2 350.831 2.851 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000133107385 509117039 /nfs/dbraw/zinc/11/70/39/509117039.db2.gz BCVSGPLMPNHVKB-MRXNPFEDSA-N 1 2 374.872 2.839 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000133107385 509117042 /nfs/dbraw/zinc/11/70/42/509117042.db2.gz BCVSGPLMPNHVKB-MRXNPFEDSA-N 1 2 374.872 2.839 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000121233815 509154747 /nfs/dbraw/zinc/15/47/47/509154747.db2.gz XTGFJKAWTKEFCV-PMACEKPBSA-N 1 2 352.434 2.891 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000121233815 509154749 /nfs/dbraw/zinc/15/47/49/509154749.db2.gz XTGFJKAWTKEFCV-PMACEKPBSA-N 1 2 352.434 2.891 20 30 FFEDLO COc1cc(NC(=O)C[N@H+](C)Cc2ccc(F)c(C#N)c2)cc(OC)c1 ZINC000121690750 509180559 /nfs/dbraw/zinc/18/05/59/509180559.db2.gz DHCWDZXAQOYGNW-UHFFFAOYSA-N 1 2 357.385 2.785 20 30 FFEDLO COc1cc(NC(=O)C[N@@H+](C)Cc2ccc(F)c(C#N)c2)cc(OC)c1 ZINC000121690750 509180560 /nfs/dbraw/zinc/18/05/60/509180560.db2.gz DHCWDZXAQOYGNW-UHFFFAOYSA-N 1 2 357.385 2.785 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000267095989 509344221 /nfs/dbraw/zinc/34/42/21/509344221.db2.gz RQVSOKBHCBXSHK-QGZVFWFLSA-N 1 2 358.438 2.961 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000267095989 509344232 /nfs/dbraw/zinc/34/42/32/509344232.db2.gz RQVSOKBHCBXSHK-QGZVFWFLSA-N 1 2 358.438 2.961 20 30 FFEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)s1 ZINC000264179894 509367398 /nfs/dbraw/zinc/36/73/98/509367398.db2.gz YLQPFWUNUOKSTC-UHFFFAOYSA-N 1 2 355.463 2.917 20 30 FFEDLO C[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCS1 ZINC000192184829 509392973 /nfs/dbraw/zinc/39/29/73/509392973.db2.gz GOXYQYPFNZAADJ-AWEZNQCLSA-N 1 2 355.467 2.510 20 30 FFEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCS1 ZINC000192184829 509392978 /nfs/dbraw/zinc/39/29/78/509392978.db2.gz GOXYQYPFNZAADJ-AWEZNQCLSA-N 1 2 355.467 2.510 20 30 FFEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCS1 ZINC000192184822 509393816 /nfs/dbraw/zinc/39/38/16/509393816.db2.gz GOXYQYPFNZAADJ-CQSZACIVSA-N 1 2 355.467 2.510 20 30 FFEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCS1 ZINC000192184822 509393826 /nfs/dbraw/zinc/39/38/26/509393826.db2.gz GOXYQYPFNZAADJ-CQSZACIVSA-N 1 2 355.467 2.510 20 30 FFEDLO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccn(-c4ccccc4)n3)C2=O)cc1 ZINC000192243579 509423446 /nfs/dbraw/zinc/42/34/46/509423446.db2.gz HYFZXYXFBHRZBL-NRFANRHFSA-N 1 2 371.444 2.635 20 30 FFEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)NC[C@@H](C)C#N)CC1 ZINC000182794144 509429562 /nfs/dbraw/zinc/42/95/62/509429562.db2.gz RMTATBIWUDTZSY-GUYCJALGSA-N 1 2 350.413 2.903 20 30 FFEDLO COCC[N@H+](Cc1ccco1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192540365 509549231 /nfs/dbraw/zinc/54/92/31/509549231.db2.gz NDSQAVMWIKCRKI-IBGZPJMESA-N 1 2 353.422 2.795 20 30 FFEDLO COCC[N@@H+](Cc1ccco1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192540365 509549242 /nfs/dbraw/zinc/54/92/42/509549242.db2.gz NDSQAVMWIKCRKI-IBGZPJMESA-N 1 2 353.422 2.795 20 30 FFEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000264581392 509612978 /nfs/dbraw/zinc/61/29/78/509612978.db2.gz VPZUPFPBUFJPRD-UHFFFAOYSA-N 1 2 371.387 2.825 20 30 FFEDLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000267847422 509639583 /nfs/dbraw/zinc/63/95/83/509639583.db2.gz VWEAUQBEFKJTCU-FQEVSTJZSA-N 1 2 363.417 2.659 20 30 FFEDLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000267847422 509639593 /nfs/dbraw/zinc/63/95/93/509639593.db2.gz VWEAUQBEFKJTCU-FQEVSTJZSA-N 1 2 363.417 2.659 20 30 FFEDLO CN(C)c1ccc(CNC(=O)CCCCOc2cccc(C#N)c2)c[nH+]1 ZINC000264682627 509643354 /nfs/dbraw/zinc/64/33/54/509643354.db2.gz AHMYUDMXOQODTB-UHFFFAOYSA-N 1 2 352.438 2.885 20 30 FFEDLO CC(C)C(=O)N1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000264728350 509670061 /nfs/dbraw/zinc/67/00/61/509670061.db2.gz CINKEYNMSBJCRC-UHFFFAOYSA-N 1 2 365.481 2.764 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000249456974 509686032 /nfs/dbraw/zinc/68/60/32/509686032.db2.gz PSRLLRGUTMRXDL-ZACQAIPSSA-N 1 2 363.502 2.723 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000249456974 509686035 /nfs/dbraw/zinc/68/60/35/509686035.db2.gz PSRLLRGUTMRXDL-ZACQAIPSSA-N 1 2 363.502 2.723 20 30 FFEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000180027625 509714878 /nfs/dbraw/zinc/71/48/78/509714878.db2.gz HVIMHAMKHZPRDN-HUUCEWRRSA-N 1 2 351.410 2.773 20 30 FFEDLO CCO[C@H]1C[C@@]([NH2+]CCCOc2cccc(C#N)c2)(C(=O)OC)C1(C)C ZINC000189875410 509804735 /nfs/dbraw/zinc/80/47/35/509804735.db2.gz CWEYFEYZNSAVJW-FXAWDEMLSA-N 1 2 360.454 2.664 20 30 FFEDLO N#CCCn1ccc(NC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)n1 ZINC000189992886 509872557 /nfs/dbraw/zinc/87/25/57/509872557.db2.gz CCGKWPUFMHWDOD-UHFFFAOYSA-N 1 2 372.860 2.630 20 30 FFEDLO N#CCCn1ccc(NC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)n1 ZINC000189992886 509872560 /nfs/dbraw/zinc/87/25/60/509872560.db2.gz CCGKWPUFMHWDOD-UHFFFAOYSA-N 1 2 372.860 2.630 20 30 FFEDLO CO[C@]1(C)C[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1(C)C ZINC000174037378 509918146 /nfs/dbraw/zinc/91/81/46/509918146.db2.gz RJTFCRNEYOFVPL-HRAATJIYSA-N 1 2 368.481 2.850 20 30 FFEDLO Cc1sc(NC(=O)C[NH+]2CCC(C3(C)OCCO3)CC2)c(C#N)c1C ZINC000268420005 509919007 /nfs/dbraw/zinc/91/90/07/509919007.db2.gz ATUFQGXHXOBDRX-UHFFFAOYSA-N 1 2 363.483 2.650 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000245429376 509924855 /nfs/dbraw/zinc/92/48/55/509924855.db2.gz NBXWJATWNPLZMI-YZGWKJHDSA-N 1 2 354.498 2.564 20 30 FFEDLO CCc1ccc(-c2noc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)n2)cc1 ZINC000268489095 509966022 /nfs/dbraw/zinc/96/60/22/509966022.db2.gz NFDIXNILDZHBTJ-KBPBESRZSA-N 1 2 355.442 2.710 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000245562316 510007994 /nfs/dbraw/zinc/00/79/94/510007994.db2.gz CNBLKGSXQJUESJ-LRDDRELGSA-N 1 2 357.483 2.955 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c(C#N)c1C ZINC000245562316 510008003 /nfs/dbraw/zinc/00/80/03/510008003.db2.gz CNBLKGSXQJUESJ-LRDDRELGSA-N 1 2 357.483 2.955 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c(C#N)c1C ZINC000245562316 510008008 /nfs/dbraw/zinc/00/80/08/510008008.db2.gz CNBLKGSXQJUESJ-LRDDRELGSA-N 1 2 357.483 2.955 20 30 FFEDLO C#CCCCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000177371338 510019305 /nfs/dbraw/zinc/01/93/05/510019305.db2.gz DKCPHGKSGIPXEL-UHFFFAOYSA-N 1 2 352.438 2.621 20 30 FFEDLO CCOc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1OCC ZINC000268709096 510081089 /nfs/dbraw/zinc/08/10/89/510081089.db2.gz UAKBXKICVKHIRK-UHFFFAOYSA-N 1 2 361.486 2.532 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000171345776 510096343 /nfs/dbraw/zinc/09/63/43/510096343.db2.gz PHQYPWLSWWNOSY-UHFFFAOYSA-N 1 2 368.437 2.593 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000246055378 510267971 /nfs/dbraw/zinc/26/79/71/510267971.db2.gz XTGFJKAWTKEFCV-VQTJNVASSA-N 1 2 352.434 2.891 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000246055378 510267977 /nfs/dbraw/zinc/26/79/77/510267977.db2.gz XTGFJKAWTKEFCV-VQTJNVASSA-N 1 2 352.434 2.891 20 30 FFEDLO CCCn1c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc2ccccc21 ZINC000190715440 510303765 /nfs/dbraw/zinc/30/37/65/510303765.db2.gz WIXDYZPMQBFBMS-UHFFFAOYSA-N 1 2 368.481 2.739 20 30 FFEDLO CC[C@@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)c1cccc(OCc2cccnc2)c1 ZINC000178155758 510460990 /nfs/dbraw/zinc/46/09/90/510460990.db2.gz GYFKGIYDQGWREG-HUUCEWRRSA-N 1 2 370.453 2.601 20 30 FFEDLO C=CCN(CCc1ccccc1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000194736502 510502949 /nfs/dbraw/zinc/50/29/49/510502949.db2.gz RSPKHRBBVPDPHQ-UHFFFAOYSA-N 1 2 366.509 2.889 20 30 FFEDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1cccc(Cl)c1C#N ZINC000181713521 510553562 /nfs/dbraw/zinc/55/35/62/510553562.db2.gz HHLVENCESWXXRF-UHFFFAOYSA-N 1 2 352.847 2.543 20 30 FFEDLO COCCN(C)c1ccc(/C=C/C(=O)c2ccc(OCC#N)cc2)c[nH+]1 ZINC000191225552 510557871 /nfs/dbraw/zinc/55/78/71/510557871.db2.gz DKAUWSRQBSIFEL-YCRREMRBSA-N 1 2 351.406 2.963 20 30 FFEDLO C[C@@H](C[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 ZINC000172333481 510675352 /nfs/dbraw/zinc/67/53/52/510675352.db2.gz IPFZIMNDXHGCHT-KRWDZBQOSA-N 1 2 369.490 2.668 20 30 FFEDLO N#CCOc1cccc(NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)c1 ZINC000263648335 510768247 /nfs/dbraw/zinc/76/82/47/510768247.db2.gz IOVSXTYFQJHODF-UHFFFAOYSA-N 1 2 371.466 2.785 20 30 FFEDLO N#CCOc1cccc(NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)c1 ZINC000263648335 510768249 /nfs/dbraw/zinc/76/82/49/510768249.db2.gz IOVSXTYFQJHODF-UHFFFAOYSA-N 1 2 371.466 2.785 20 30 FFEDLO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1nc(Cc2ccccc2)no1 ZINC000185404278 510836792 /nfs/dbraw/zinc/83/67/92/510836792.db2.gz OTXSNWBBKQDZIN-AWEZNQCLSA-N 1 2 361.405 2.821 20 30 FFEDLO [O-]C(NC[C@H]1CCO[C@@H]1c1ccccc1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329903219 510874587 /nfs/dbraw/zinc/87/45/87/510874587.db2.gz IEAVZHXZGUKEAE-KVSKMBFKSA-N 1 2 354.454 2.727 20 30 FFEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)NC1CCCCCC1 ZINC000329919723 510877073 /nfs/dbraw/zinc/87/70/73/510877073.db2.gz DKVBHTRMTJQJEW-WMZOPIPTSA-N 1 2 365.497 2.901 20 30 FFEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)NC1CCCCCC1 ZINC000329919723 510877077 /nfs/dbraw/zinc/87/70/77/510877077.db2.gz DKVBHTRMTJQJEW-WMZOPIPTSA-N 1 2 365.497 2.901 20 30 FFEDLO C[C@@]1(CNC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CCCO1 ZINC000329924321 510878912 /nfs/dbraw/zinc/87/89/12/510878912.db2.gz UWNLVDWVGKJOAX-ZQIUZPCESA-N 1 2 355.479 2.733 20 30 FFEDLO C[C@@]1(CNC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CCCO1 ZINC000329924321 510878919 /nfs/dbraw/zinc/87/89/19/510878919.db2.gz UWNLVDWVGKJOAX-ZQIUZPCESA-N 1 2 355.479 2.733 20 30 FFEDLO O=C(NCc1ccc(Br)s1)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329948790 510884091 /nfs/dbraw/zinc/88/40/91/510884091.db2.gz KYZKZMQXBUUIHJ-JTQLQIEISA-N 1 2 369.288 2.973 20 30 FFEDLO CC1CCC(CNC(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CC1 ZINC000329961086 510887570 /nfs/dbraw/zinc/88/75/70/510887570.db2.gz RZOVODUDNKQGRP-GQGLESIBSA-N 1 2 365.497 2.662 20 30 FFEDLO C[C@H](CNC(=O)C1CCC(NC(=O)C2CC2)CC1)[NH+]1CCN(C)CC1 ZINC000330022247 510901014 /nfs/dbraw/zinc/90/10/14/510901014.db2.gz ZFQOJQHXIPAUOY-HPUBIQBYSA-N 1 2 350.507 2.504 20 30 FFEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)C[C@@]2(CCOC2)O1 ZINC000330085761 510913411 /nfs/dbraw/zinc/91/34/11/510913411.db2.gz DCYWNNNJCBSVKE-IDHHARJASA-N 1 2 367.490 2.848 20 30 FFEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)C[C@@]2(CCOC2)O1 ZINC000330085761 510913417 /nfs/dbraw/zinc/91/34/17/510913417.db2.gz DCYWNNNJCBSVKE-IDHHARJASA-N 1 2 367.490 2.848 20 30 FFEDLO COc1ccc([C@H](NC(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)C2CC2)cc1 ZINC000330087284 510913722 /nfs/dbraw/zinc/91/37/22/510913722.db2.gz SVPGWPUCRUDOQB-RVHYNSKXSA-N 1 2 374.481 2.983 20 30 FFEDLO COc1ccc([C@H](NC(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)C2CC2)cc1 ZINC000330087284 510913730 /nfs/dbraw/zinc/91/37/30/510913730.db2.gz SVPGWPUCRUDOQB-RVHYNSKXSA-N 1 2 374.481 2.983 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCNC(=O)OC(C)(C)C)c(C#N)c1C ZINC000297371510 510921166 /nfs/dbraw/zinc/92/11/66/510921166.db2.gz HPEXMUBIJOGRDF-LBPRGKRZSA-N 1 2 364.446 2.552 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)OC(C)(C)C)c(C#N)c1C ZINC000297371510 510921169 /nfs/dbraw/zinc/92/11/69/510921169.db2.gz HPEXMUBIJOGRDF-LBPRGKRZSA-N 1 2 364.446 2.552 20 30 FFEDLO COc1cccc(CNC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000330130336 510922248 /nfs/dbraw/zinc/92/22/48/510922248.db2.gz OXJPLNYHLISTJG-TWOQFEAHSA-N 1 2 362.470 2.810 20 30 FFEDLO COc1cccc(CNC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000330130336 510922253 /nfs/dbraw/zinc/92/22/53/510922253.db2.gz OXJPLNYHLISTJG-TWOQFEAHSA-N 1 2 362.470 2.810 20 30 FFEDLO COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330138041 510923222 /nfs/dbraw/zinc/92/32/22/510923222.db2.gz VIOFMPRPNCHQCF-TWOQFEAHSA-N 1 2 362.470 2.983 20 30 FFEDLO COc1ccccc1[C@H](C)NC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330138041 510923226 /nfs/dbraw/zinc/92/32/26/510923226.db2.gz VIOFMPRPNCHQCF-TWOQFEAHSA-N 1 2 362.470 2.983 20 30 FFEDLO COc1cc(Cl)c(Cl)cc1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000330144709 510924197 /nfs/dbraw/zinc/92/41/97/510924197.db2.gz ZRRDPPLZFVAPGX-JSGCOSHPSA-N 1 2 360.241 2.562 20 30 FFEDLO COc1cc(Cl)c(Cl)cc1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000330144709 510924201 /nfs/dbraw/zinc/92/42/01/510924201.db2.gz ZRRDPPLZFVAPGX-JSGCOSHPSA-N 1 2 360.241 2.562 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000330156280 510927330 /nfs/dbraw/zinc/92/73/30/510927330.db2.gz YSCJEIOUOMEHCE-RDTXWAMCSA-N 1 2 357.454 2.901 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000330156280 510927335 /nfs/dbraw/zinc/92/73/35/510927335.db2.gz YSCJEIOUOMEHCE-RDTXWAMCSA-N 1 2 357.454 2.901 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[S@](=O)C[C@H](C)C2)cc1OCCCC#N ZINC000277342349 510961557 /nfs/dbraw/zinc/96/15/57/510961557.db2.gz DGXWZQGBHIEOFF-MYYSRTQBSA-N 1 2 350.484 2.578 20 30 FFEDLO COc1ccc(C[N@H+]2CC[S@](=O)C[C@H](C)C2)cc1OCCCC#N ZINC000277342349 510961561 /nfs/dbraw/zinc/96/15/61/510961561.db2.gz DGXWZQGBHIEOFF-MYYSRTQBSA-N 1 2 350.484 2.578 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)NCc2ccc3ccccc3c2)CCN1C ZINC000330330540 510965598 /nfs/dbraw/zinc/96/55/98/510965598.db2.gz NKSUNJCVERWOJI-LJQANCHMSA-N 1 2 363.465 2.976 20 30 FFEDLO C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330334389 510967234 /nfs/dbraw/zinc/96/72/34/510967234.db2.gz QOXSDBCZRUSGAF-DECQCQTCSA-N 1 2 357.410 2.825 20 30 FFEDLO CCN1CCN(C(=O)Nc2ccc3nc(C)oc3c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330354685 510972670 /nfs/dbraw/zinc/97/26/70/510972670.db2.gz PSAGCSMVGMWRQY-HNNXBMFYSA-N 1 2 354.414 2.784 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)N(C)CC[C@H](C)O)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000330792395 511017009 /nfs/dbraw/zinc/01/70/09/511017009.db2.gz BIJRMCKDUYTYQC-XNJJOIOASA-N 1 2 373.419 2.856 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)N(C)CC[C@H](C)O)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000330792395 511017014 /nfs/dbraw/zinc/01/70/14/511017014.db2.gz BIJRMCKDUYTYQC-XNJJOIOASA-N 1 2 373.419 2.856 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCCC1(C)C ZINC000297661242 511025987 /nfs/dbraw/zinc/02/59/87/511025987.db2.gz FDTSDSFIQSXTFN-INIZCTEOSA-N 1 2 358.486 2.709 20 30 FFEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000286935620 511036383 /nfs/dbraw/zinc/03/63/83/511036383.db2.gz IEQUWORVOYCEBE-MAUKXSAKSA-N 1 2 356.470 2.815 20 30 FFEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000287285282 511045680 /nfs/dbraw/zinc/04/56/80/511045680.db2.gz IGHCKIFQKZVFCN-FQEVSTJZSA-N 1 2 362.477 2.543 20 30 FFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC(C)(C)CC#N)[C@H]1c1ccc(Cl)cc1 ZINC000331344953 511062732 /nfs/dbraw/zinc/06/27/32/511062732.db2.gz VBEJAIXHCIXBDD-HZPDHXFCSA-N 1 2 369.918 2.944 20 30 FFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CC(C)(C)CC#N)[C@H]1c1ccc(Cl)cc1 ZINC000331344953 511062734 /nfs/dbraw/zinc/06/27/34/511062734.db2.gz VBEJAIXHCIXBDD-HZPDHXFCSA-N 1 2 369.918 2.944 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000331616864 511069093 /nfs/dbraw/zinc/06/90/93/511069093.db2.gz XITIVJCYNMFCDV-LJQANCHMSA-N 1 2 362.905 2.907 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000331616864 511069101 /nfs/dbraw/zinc/06/91/01/511069101.db2.gz XITIVJCYNMFCDV-LJQANCHMSA-N 1 2 362.905 2.907 20 30 FFEDLO CC[N@H+](CCC#N)Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000294558309 511102733 /nfs/dbraw/zinc/10/27/33/511102733.db2.gz MBVVWLJGETYVOG-GFCCVEGCSA-N 1 2 368.275 2.698 20 30 FFEDLO CC[N@@H+](CCC#N)Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000294558309 511102738 /nfs/dbraw/zinc/10/27/38/511102738.db2.gz MBVVWLJGETYVOG-GFCCVEGCSA-N 1 2 368.275 2.698 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)cc1OCCCC#N ZINC000271217538 511124330 /nfs/dbraw/zinc/12/43/30/511124330.db2.gz XQHCPVBKOHCJIB-FENDNCTDSA-N 1 2 350.484 2.719 20 30 FFEDLO COc1ccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)cc1OCCCC#N ZINC000271217538 511124338 /nfs/dbraw/zinc/12/43/38/511124338.db2.gz XQHCPVBKOHCJIB-FENDNCTDSA-N 1 2 350.484 2.719 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3[C@H]4Cc5ccccc5[C@@H]34)CC2)cc1 ZINC000332953258 511158431 /nfs/dbraw/zinc/15/84/31/511158431.db2.gz VABTYGQNEXQIKM-BHDDXSALSA-N 1 2 372.472 2.724 20 30 FFEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)CCc2cnccn2)ccc1Cl ZINC000271311051 511159514 /nfs/dbraw/zinc/15/95/14/511159514.db2.gz HYLRZDGDTKVTSJ-UHFFFAOYSA-N 1 2 371.872 2.860 20 30 FFEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)CCc2cnccn2)ccc1Cl ZINC000271311051 511159517 /nfs/dbraw/zinc/15/95/17/511159517.db2.gz HYLRZDGDTKVTSJ-UHFFFAOYSA-N 1 2 371.872 2.860 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)n1 ZINC000279792451 511215906 /nfs/dbraw/zinc/21/59/06/511215906.db2.gz VRYAQIBQTASBMU-HOTGVXAUSA-N 1 2 356.445 2.743 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)n1 ZINC000279792451 511215911 /nfs/dbraw/zinc/21/59/11/511215911.db2.gz VRYAQIBQTASBMU-HOTGVXAUSA-N 1 2 356.445 2.743 20 30 FFEDLO N#C[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCO1 ZINC000291590725 511259054 /nfs/dbraw/zinc/25/90/54/511259054.db2.gz YTGLOKYZYHPTQW-KRWDZBQOSA-N 1 2 351.410 2.643 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cnc(Br)s3)C2)nc1 ZINC000295154941 511301678 /nfs/dbraw/zinc/30/16/78/511301678.db2.gz CHZUBVWZFXKQIF-NSHDSACASA-N 1 2 365.256 2.826 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cnc(Br)s3)C2)nc1 ZINC000295154941 511301682 /nfs/dbraw/zinc/30/16/82/511301682.db2.gz CHZUBVWZFXKQIF-NSHDSACASA-N 1 2 365.256 2.826 20 30 FFEDLO CO[C@@H]1[C@H](C)[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1(C)C ZINC000271798872 511328802 /nfs/dbraw/zinc/32/88/02/511328802.db2.gz KQZTXYYUISJXFU-OCBCSQNSSA-N 1 2 368.481 2.706 20 30 FFEDLO N#CCCCC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000291766364 511329013 /nfs/dbraw/zinc/32/90/13/511329013.db2.gz VGNUQGKVQDTKMK-INIZCTEOSA-N 1 2 369.387 2.889 20 30 FFEDLO Cc1nsc(NC(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1C#N ZINC000333905783 511387210 /nfs/dbraw/zinc/38/72/10/511387210.db2.gz UWOFDAGVILYVSV-NSHDSACASA-N 1 2 358.471 2.954 20 30 FFEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)cc1 ZINC000363200395 511413137 /nfs/dbraw/zinc/41/31/37/511413137.db2.gz JWJPLBZPPINZEJ-NRFANRHFSA-N 1 2 374.444 2.945 20 30 FFEDLO CCN(CC)c1ccc(CNC(=O)COc2ccc(C#N)cc2OC)c[nH+]1 ZINC000298821388 511420845 /nfs/dbraw/zinc/42/08/45/511420845.db2.gz WPLJMRJLSJCHOS-UHFFFAOYSA-N 1 2 368.437 2.503 20 30 FFEDLO CCS[C@@H](C)c1noc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292137755 511479731 /nfs/dbraw/zinc/47/97/31/511479731.db2.gz JGLGVPIAWNCFKW-JSGCOSHPSA-N 1 2 359.455 2.804 20 30 FFEDLO CCS[C@@H](C)c1noc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292137755 511479735 /nfs/dbraw/zinc/47/97/35/511479735.db2.gz JGLGVPIAWNCFKW-JSGCOSHPSA-N 1 2 359.455 2.804 20 30 FFEDLO C=C(C)Cn1c(CC2CC2)nnc1N1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000283733688 511480543 /nfs/dbraw/zinc/48/05/43/511480543.db2.gz YYCNNEQXABMIAI-UHFFFAOYSA-N 1 2 370.501 2.734 20 30 FFEDLO Cc1noc(Cl)c1CCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000299226018 511558095 /nfs/dbraw/zinc/55/80/95/511558095.db2.gz CHKUVNWGHOXWCU-UHFFFAOYSA-N 1 2 372.856 2.785 20 30 FFEDLO N#Cc1nnc2ccccc2c1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280696694 511567192 /nfs/dbraw/zinc/56/71/92/511567192.db2.gz GHEOMHXNZQYQMS-RTWAWAEBSA-N 1 2 371.444 2.591 20 30 FFEDLO N#Cc1nnc2ccccc2c1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280696694 511567197 /nfs/dbraw/zinc/56/71/97/511567197.db2.gz GHEOMHXNZQYQMS-RTWAWAEBSA-N 1 2 371.444 2.591 20 30 FFEDLO CCCc1nc(C)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000292421923 511591476 /nfs/dbraw/zinc/59/14/76/511591476.db2.gz KVNAXHICSQSNLB-UHFFFAOYSA-N 1 2 352.438 2.765 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000299325890 511594476 /nfs/dbraw/zinc/59/44/76/511594476.db2.gz WLPGBWBXTZPITC-HNNXBMFYSA-N 1 2 364.490 2.778 20 30 FFEDLO CCn1cnc2c(c1=O)CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000280958182 511667244 /nfs/dbraw/zinc/66/72/44/511667244.db2.gz JKMKVWKWBAFYSK-UHFFFAOYSA-N 1 2 361.367 2.692 20 30 FFEDLO CCn1cnc2c(c1=O)CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000280958182 511667248 /nfs/dbraw/zinc/66/72/48/511667248.db2.gz JKMKVWKWBAFYSK-UHFFFAOYSA-N 1 2 361.367 2.692 20 30 FFEDLO Cc1cc(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)nn1CCC#N ZINC000281213386 511762247 /nfs/dbraw/zinc/76/22/47/511762247.db2.gz NZAZANXCHSSGAY-UHFFFAOYSA-N 1 2 358.352 2.680 20 30 FFEDLO N#Cc1ncn(-c2ccccc2NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000365999306 511775827 /nfs/dbraw/zinc/77/58/27/511775827.db2.gz YWFVWITVZVTELH-UHFFFAOYSA-N 1 2 369.388 2.636 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)c2nc3sc(C)c(C)c3c(N)n2)C1=O ZINC000281453649 511853522 /nfs/dbraw/zinc/85/35/22/511853522.db2.gz UUGAKBIRQVFNJH-YPMHNXCESA-N 1 2 359.499 2.670 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2nc3sc(C)c(C)c3c(N)n2)C1=O ZINC000281453649 511853529 /nfs/dbraw/zinc/85/35/29/511853529.db2.gz UUGAKBIRQVFNJH-YPMHNXCESA-N 1 2 359.499 2.670 20 30 FFEDLO Cc1cc(N2CC[C@H](Oc3ccc(C#N)cn3)C2)nc(-c2ccncc2)[nH+]1 ZINC000366190097 511889449 /nfs/dbraw/zinc/88/94/49/511889449.db2.gz ZODJAIQHGBWITL-KRWDZBQOSA-N 1 2 358.405 2.771 20 30 FFEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Nc3cc4[nH]ccc4cc3C)C2)CC1 ZINC000328623542 511896813 /nfs/dbraw/zinc/89/68/13/511896813.db2.gz YZAOHTITRQVJIB-QGZVFWFLSA-N 1 2 355.486 2.734 20 30 FFEDLO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)c1nc(C(C)(C)C)cs1 ZINC000328869260 511942443 /nfs/dbraw/zinc/94/24/43/511942443.db2.gz HNXXTYVWQCVGAK-IHRRRGAJSA-N 1 2 366.531 2.821 20 30 FFEDLO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1nc(C(C)(C)C)cs1 ZINC000328869260 511942451 /nfs/dbraw/zinc/94/24/51/511942451.db2.gz HNXXTYVWQCVGAK-IHRRRGAJSA-N 1 2 366.531 2.821 20 30 FFEDLO C[C@@H]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000293407247 511952861 /nfs/dbraw/zinc/95/28/61/511952861.db2.gz OPLSQYNXUIWKDP-RISCZKNCSA-N 1 2 363.343 2.892 20 30 FFEDLO C[C@H]1C[C@H](C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CCC1=O ZINC000328958073 511956873 /nfs/dbraw/zinc/95/68/73/511956873.db2.gz ZWMMBCFGFAQFOA-QWHCGFSZSA-N 1 2 356.426 2.993 20 30 FFEDLO O=C(NCc1cc(F)ccc1N1CCOCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328967038 511958023 /nfs/dbraw/zinc/95/80/23/511958023.db2.gz SVWVJRZTBUDOLR-CQSZACIVSA-N 1 2 358.417 2.578 20 30 FFEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000328996070 511964444 /nfs/dbraw/zinc/96/44/44/511964444.db2.gz JTMGMAMDXHVVRN-OAHLLOKOSA-N 1 2 367.497 2.852 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)n1 ZINC000329023977 511969064 /nfs/dbraw/zinc/96/90/64/511969064.db2.gz UPZNZJUNVGDYRP-HZPDHXFCSA-N 1 2 356.426 2.518 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)n1 ZINC000329023977 511969073 /nfs/dbraw/zinc/96/90/73/511969073.db2.gz UPZNZJUNVGDYRP-HZPDHXFCSA-N 1 2 356.426 2.518 20 30 FFEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329075772 511977456 /nfs/dbraw/zinc/97/74/56/511977456.db2.gz PSQJWDSGMVXIDH-KUHUBIRLSA-N 1 2 368.424 2.734 20 30 FFEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329075772 511977459 /nfs/dbraw/zinc/97/74/59/511977459.db2.gz PSQJWDSGMVXIDH-KUHUBIRLSA-N 1 2 368.424 2.734 20 30 FFEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366392642 511997896 /nfs/dbraw/zinc/99/78/96/511997896.db2.gz AJEUAIGQQMMMNA-ZFWWWQNUSA-N 1 2 361.405 2.816 20 30 FFEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366392642 511997901 /nfs/dbraw/zinc/99/79/01/511997901.db2.gz AJEUAIGQQMMMNA-ZFWWWQNUSA-N 1 2 361.405 2.816 20 30 FFEDLO Cc1cc(=O)c(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)cn1C1CC1 ZINC000329195443 512002167 /nfs/dbraw/zinc/00/21/67/512002167.db2.gz SKLDRHMBOBOIJV-SFHVURJKSA-N 1 2 370.453 2.698 20 30 FFEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C[C@@H]1C ZINC000329241022 512011458 /nfs/dbraw/zinc/01/14/58/512011458.db2.gz RJOYQGVEXWQUGO-QHHYFVSCSA-N 1 2 373.501 2.507 20 30 FFEDLO CC[C@](C)(C#N)C(=O)N1CCN(Cc2c(C)[nH+]c3cc(C)ccn32)CC1 ZINC000285138315 512013719 /nfs/dbraw/zinc/01/37/19/512013719.db2.gz WTGLVWMUSODKAC-HXUWFJFHSA-N 1 2 353.470 2.535 20 30 FFEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000285138315 512013724 /nfs/dbraw/zinc/01/37/24/512013724.db2.gz WTGLVWMUSODKAC-HXUWFJFHSA-N 1 2 353.470 2.535 20 30 FFEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000329254624 512015435 /nfs/dbraw/zinc/01/54/35/512015435.db2.gz ZWSARNNAQBRYAV-QGZVFWFLSA-N 1 2 371.481 2.800 20 30 FFEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000329254624 512015439 /nfs/dbraw/zinc/01/54/39/512015439.db2.gz ZWSARNNAQBRYAV-QGZVFWFLSA-N 1 2 371.481 2.800 20 30 FFEDLO O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)C1([NH+]2CCOCC2)CCC1 ZINC000329263086 512016618 /nfs/dbraw/zinc/01/66/18/512016618.db2.gz BPEWZOOSMBZGJH-CQSZACIVSA-N 1 2 364.877 2.525 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000329283670 512019730 /nfs/dbraw/zinc/01/97/30/512019730.db2.gz OBEWCMBIEHUPPC-IXDOHACOSA-N 1 2 373.501 2.675 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000329283670 512019738 /nfs/dbraw/zinc/01/97/38/512019738.db2.gz OBEWCMBIEHUPPC-IXDOHACOSA-N 1 2 373.501 2.675 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccn(-c4cccc(C#N)c4)n3)n2)C1 ZINC000282016182 512046282 /nfs/dbraw/zinc/04/62/82/512046282.db2.gz YFRFOTUMRMOQGE-QGZVFWFLSA-N 1 2 364.409 2.576 20 30 FFEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccn(-c4cccc(C#N)c4)n3)n2)C1 ZINC000282016182 512046286 /nfs/dbraw/zinc/04/62/86/512046286.db2.gz YFRFOTUMRMOQGE-QGZVFWFLSA-N 1 2 364.409 2.576 20 30 FFEDLO O=C(NC1CCN(C(=O)c2ccccc2F)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329477111 512054288 /nfs/dbraw/zinc/05/42/88/512054288.db2.gz PSGONULJKZPXSI-AWEZNQCLSA-N 1 2 370.428 2.846 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H](C)[C@@H]1CCCOC1)CC2 ZINC000329535047 512066203 /nfs/dbraw/zinc/06/62/03/512066203.db2.gz ZAWXGPHBRCLZLB-GDBMZVCRSA-N 1 2 362.470 2.834 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H](C)[C@@H]1CCCOC1)CC2 ZINC000329535047 512066207 /nfs/dbraw/zinc/06/62/07/512066207.db2.gz ZAWXGPHBRCLZLB-GDBMZVCRSA-N 1 2 362.470 2.834 20 30 FFEDLO CN(C)c1ncc(C[N@H+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)cn1 ZINC000329534834 512066267 /nfs/dbraw/zinc/06/62/67/512066267.db2.gz YYJDBJKHLCLPOO-UHFFFAOYSA-N 1 2 357.502 2.900 20 30 FFEDLO CN(C)c1ncc(C[N@@H+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)cn1 ZINC000329534834 512066272 /nfs/dbraw/zinc/06/62/72/512066272.db2.gz YYJDBJKHLCLPOO-UHFFFAOYSA-N 1 2 357.502 2.900 20 30 FFEDLO O=C(C[N@H+]1CCSC[C@H]1CO)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000329651007 512082004 /nfs/dbraw/zinc/08/20/04/512082004.db2.gz KRMCIIOHXPVJET-CQSZACIVSA-N 1 2 364.467 2.726 20 30 FFEDLO O=C(C[N@@H+]1CCSC[C@H]1CO)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000329651007 512082007 /nfs/dbraw/zinc/08/20/07/512082007.db2.gz KRMCIIOHXPVJET-CQSZACIVSA-N 1 2 364.467 2.726 20 30 FFEDLO C[C@H](NC(=O)c1cccc2c1OCCO2)C1([NH+]2CCOCC2)CCCC1 ZINC000329668495 512084894 /nfs/dbraw/zinc/08/48/94/512084894.db2.gz RABVMAFXXOLYDI-HNNXBMFYSA-N 1 2 360.454 2.796 20 30 FFEDLO C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329740787 512092171 /nfs/dbraw/zinc/09/21/71/512092171.db2.gz OEVRAPMHROGSMC-TZMCWYRMSA-N 1 2 369.473 2.507 20 30 FFEDLO C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329740787 512092174 /nfs/dbraw/zinc/09/21/74/512092174.db2.gz OEVRAPMHROGSMC-TZMCWYRMSA-N 1 2 369.473 2.507 20 30 FFEDLO O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1CCCCS1(=O)=O ZINC000329754533 512093939 /nfs/dbraw/zinc/09/39/39/512093939.db2.gz KUPJALJWNCBLEE-OAHLLOKOSA-N 1 2 374.572 2.662 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@]1(C)CCO[C@@H]1C1CC1)C2 ZINC000329762153 512094401 /nfs/dbraw/zinc/09/44/01/512094401.db2.gz SGHZXBDYVIZLRZ-JNAXZKDPSA-N 1 2 360.502 2.957 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@]1(C)CCO[C@@H]1C1CC1)C2 ZINC000329762153 512094403 /nfs/dbraw/zinc/09/44/03/512094403.db2.gz SGHZXBDYVIZLRZ-JNAXZKDPSA-N 1 2 360.502 2.957 20 30 FFEDLO C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000329806325 512099736 /nfs/dbraw/zinc/09/97/36/512099736.db2.gz AZZMZWIZMSGWRC-HZPDHXFCSA-N 1 2 373.501 2.621 20 30 FFEDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329837304 512103030 /nfs/dbraw/zinc/10/30/30/512103030.db2.gz VKZJKAVTQBQHFW-RCCFBDPRSA-N 1 2 358.486 2.891 20 30 FFEDLO CC[C@]1(C)CCCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000329862754 512104542 /nfs/dbraw/zinc/10/45/42/512104542.db2.gz YTMIWVUHOMQFPN-HXUWFJFHSA-N 1 2 373.501 2.527 20 30 FFEDLO Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCN(C)[C@@H](c3nccn3C)C2)cc1 ZINC000329894004 512105665 /nfs/dbraw/zinc/10/56/65/512105665.db2.gz AXWDJMSXSVJAHG-FUHWJXTLSA-N 1 2 355.486 2.562 20 30 FFEDLO Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CCN(C)[C@@H](c3nccn3C)C2)cc1 ZINC000329894004 512105667 /nfs/dbraw/zinc/10/56/67/512105667.db2.gz AXWDJMSXSVJAHG-FUHWJXTLSA-N 1 2 355.486 2.562 20 30 FFEDLO C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C[C@@H](C2CC2)O1 ZINC000329892530 512105790 /nfs/dbraw/zinc/10/57/90/512105790.db2.gz ABVREAVOMYJHOL-BMFZPTHFSA-N 1 2 360.502 2.909 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000377916594 512510682 /nfs/dbraw/zinc/51/06/82/512510682.db2.gz QUHVCEIDJMYWLW-QZTJIDSGSA-N 1 2 366.465 2.623 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000377916594 512510688 /nfs/dbraw/zinc/51/06/88/512510688.db2.gz QUHVCEIDJMYWLW-QZTJIDSGSA-N 1 2 366.465 2.623 20 30 FFEDLO C[C@@H]([NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1)c1ccc(C#N)cc1 ZINC000367672771 512609496 /nfs/dbraw/zinc/60/94/96/512609496.db2.gz OEBXUSXAOSBDBL-GFCCVEGCSA-N 1 2 370.363 2.986 20 30 FFEDLO C=CCOc1ccc(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000367743966 512643363 /nfs/dbraw/zinc/64/33/63/512643363.db2.gz BBPHLKKABVAWLU-UHFFFAOYSA-N 1 2 354.454 2.826 20 30 FFEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000370251516 512843490 /nfs/dbraw/zinc/84/34/90/512843490.db2.gz LXZWWKAXQMFQMT-FQEVSTJZSA-N 1 2 373.460 2.898 20 30 FFEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000370251516 512843492 /nfs/dbraw/zinc/84/34/92/512843492.db2.gz LXZWWKAXQMFQMT-FQEVSTJZSA-N 1 2 373.460 2.898 20 30 FFEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000411850580 512844505 /nfs/dbraw/zinc/84/45/05/512844505.db2.gz UZUUUOGMVJKPJP-LEWJYISDSA-N 1 2 361.445 2.712 20 30 FFEDLO Cc1cn2c([nH+]1)CN([C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)CC2 ZINC000374642133 512932365 /nfs/dbraw/zinc/93/23/65/512932365.db2.gz BJUUWUNZQOANNT-GOSISDBHSA-N 1 2 365.481 2.959 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+]([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000376735637 512964642 /nfs/dbraw/zinc/96/46/42/512964642.db2.gz HVIZRAGXBIAHLA-FQEVSTJZSA-N 1 2 360.461 2.959 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000374730813 512975627 /nfs/dbraw/zinc/97/56/27/512975627.db2.gz BCWLLFSMRRKBAP-OAHLLOKOSA-N 1 2 351.435 2.855 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000374730813 512975631 /nfs/dbraw/zinc/97/56/31/512975631.db2.gz BCWLLFSMRRKBAP-OAHLLOKOSA-N 1 2 351.435 2.855 20 30 FFEDLO C=C(C)COc1cc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C(=O)OC)ccc1OC ZINC000374893305 513059381 /nfs/dbraw/zinc/05/93/81/513059381.db2.gz GQRIBEJQFMWQJC-IAGOWNOFSA-N 1 2 363.454 2.803 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C(=O)OC)ccc1OC ZINC000374893305 513059385 /nfs/dbraw/zinc/05/93/85/513059385.db2.gz GQRIBEJQFMWQJC-IAGOWNOFSA-N 1 2 363.454 2.803 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c(C#N)c1C ZINC000374909249 513066508 /nfs/dbraw/zinc/06/65/08/513066508.db2.gz JILJYQMWZUYSGY-LJQANCHMSA-N 1 2 373.453 2.908 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c(C#N)c1C ZINC000374909249 513066513 /nfs/dbraw/zinc/06/65/13/513066513.db2.gz JILJYQMWZUYSGY-LJQANCHMSA-N 1 2 373.453 2.908 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H](O)COc3ccccc3F)CCO2)c1 ZINC000372840994 513069298 /nfs/dbraw/zinc/06/92/98/513069298.db2.gz WIJXZGRGBMPQRV-FXAWDEMLSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H](O)COc3ccccc3F)CCO2)c1 ZINC000372840994 513069300 /nfs/dbraw/zinc/06/93/00/513069300.db2.gz WIJXZGRGBMPQRV-FXAWDEMLSA-N 1 2 356.397 2.511 20 30 FFEDLO N#C[C@H]1C[N@@H+](CCCC(=O)c2ccccc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000450617341 513274813 /nfs/dbraw/zinc/27/48/13/513274813.db2.gz SNXHXVNUKXJTMF-HTAPYJJXSA-N 1 2 359.429 2.995 20 30 FFEDLO N#C[C@H]1C[N@H+](CCCC(=O)c2ccccc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000450617341 513274823 /nfs/dbraw/zinc/27/48/23/513274823.db2.gz SNXHXVNUKXJTMF-HTAPYJJXSA-N 1 2 359.429 2.995 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c[nH]1 ZINC000446912105 513360292 /nfs/dbraw/zinc/36/02/92/513360292.db2.gz LTJDRKPMFHWEBC-UHFFFAOYSA-N 1 2 358.829 2.649 20 30 FFEDLO N#Cc1cnc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000413025428 513392647 /nfs/dbraw/zinc/39/26/47/513392647.db2.gz HABYUVMGLJUWPY-UHFFFAOYSA-N 1 2 360.820 2.947 20 30 FFEDLO COc1cc(C[N@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)cc(OC)c1 ZINC000434718252 513406325 /nfs/dbraw/zinc/40/63/25/513406325.db2.gz PBAINEYMWYPMCJ-KRWDZBQOSA-N 1 2 371.462 2.874 20 30 FFEDLO COc1cc(C[N@@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)cc(OC)c1 ZINC000434718252 513406331 /nfs/dbraw/zinc/40/63/31/513406331.db2.gz PBAINEYMWYPMCJ-KRWDZBQOSA-N 1 2 371.462 2.874 20 30 FFEDLO CCCCn1ncc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000435007186 513487145 /nfs/dbraw/zinc/48/71/45/513487145.db2.gz FSBPZGCBSCCQFU-UHFFFAOYSA-N 1 2 365.481 2.821 20 30 FFEDLO Cc1cc(N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413268415 513558557 /nfs/dbraw/zinc/55/85/57/513558557.db2.gz MNCGKRJRGJGWIQ-IBGZPJMESA-N 1 2 374.441 2.675 20 30 FFEDLO CC[C@H](C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[N@@H+]1CCO[C@H](CC)C1 ZINC000416339490 513720537 /nfs/dbraw/zinc/72/05/37/513720537.db2.gz NLTPQOQOUOGYRH-MISYRCLQSA-N 1 2 355.482 2.941 20 30 FFEDLO CC[C@H](C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[N@H+]1CCO[C@H](CC)C1 ZINC000416339490 513720540 /nfs/dbraw/zinc/72/05/40/513720540.db2.gz NLTPQOQOUOGYRH-MISYRCLQSA-N 1 2 355.482 2.941 20 30 FFEDLO COc1ccc([C@@H]([NH2+]CC(=O)NCC#N)c2ccccc2Cl)c(OC)c1 ZINC000425964087 513808100 /nfs/dbraw/zinc/80/81/00/513808100.db2.gz CJJJDPCPZGGZBN-IBGZPJMESA-N 1 2 373.840 2.676 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000413836136 513840427 /nfs/dbraw/zinc/84/04/27/513840427.db2.gz OPIBWNFUPQRDBU-UXHICEINSA-N 1 2 357.498 2.680 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nnc(C(=O)Nc2ccc(CC)cc2)s1 ZINC000451604894 513862204 /nfs/dbraw/zinc/86/22/04/513862204.db2.gz BYFMPOWSGAHWQO-CABCVRRESA-N 1 2 358.467 2.786 20 30 FFEDLO Cc1ccc(-n2cnnc2SC[C@H](O)C[N@H+](C)CCC#N)cc1Cl ZINC000414092761 513973350 /nfs/dbraw/zinc/97/33/50/513973350.db2.gz GPSZNVNWZDMDDD-CQSZACIVSA-N 1 2 365.890 2.528 20 30 FFEDLO Cc1ccc(-n2cnnc2SC[C@H](O)C[N@@H+](C)CCC#N)cc1Cl ZINC000414092761 513973356 /nfs/dbraw/zinc/97/33/56/513973356.db2.gz GPSZNVNWZDMDDD-CQSZACIVSA-N 1 2 365.890 2.528 20 30 FFEDLO CC[C@@H](c1nnc(SC[C@H](O)C[N@H+](C)CCC#N)o1)c1ccccc1 ZINC000414151140 513991085 /nfs/dbraw/zinc/99/10/85/513991085.db2.gz PRAUVPVYJBXWQB-HZPDHXFCSA-N 1 2 360.483 2.910 20 30 FFEDLO CC[C@@H](c1nnc(SC[C@H](O)C[N@@H+](C)CCC#N)o1)c1ccccc1 ZINC000414151140 513991091 /nfs/dbraw/zinc/99/10/91/513991091.db2.gz PRAUVPVYJBXWQB-HZPDHXFCSA-N 1 2 360.483 2.910 20 30 FFEDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccc(C#N)c(C)c3)CC2)c1 ZINC000443957660 514081725 /nfs/dbraw/zinc/08/17/25/514081725.db2.gz DLFSDUPBIUGISX-UHFFFAOYSA-N 1 2 369.490 2.682 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000432299053 514152049 /nfs/dbraw/zinc/15/20/49/514152049.db2.gz CBSDWLSNIOYFPW-GOSISDBHSA-N 1 2 366.446 3.000 20 30 FFEDLO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000432305793 514153552 /nfs/dbraw/zinc/15/35/52/514153552.db2.gz DQBPNICCTRLUBR-SFHVURJKSA-N 1 2 366.446 2.833 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000437636896 514200021 /nfs/dbraw/zinc/20/00/21/514200021.db2.gz UPMJLVZNGXFBNR-FQEVSTJZSA-N 1 2 360.502 2.786 20 30 FFEDLO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000427662378 514281446 /nfs/dbraw/zinc/28/14/46/514281446.db2.gz JKHBLRJJVWRDJX-HNNXBMFYSA-N 1 2 352.438 2.956 20 30 FFEDLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3cnc(C)c(C#N)c3)cc2)c1C ZINC000427774420 514310793 /nfs/dbraw/zinc/31/07/93/514310793.db2.gz QRDHDCAYJHEIFE-UHFFFAOYSA-N 1 2 367.434 2.865 20 30 FFEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3ccc(C#N)o3)CCCC2)no1 ZINC000432881270 514312284 /nfs/dbraw/zinc/31/22/84/514312284.db2.gz QLUGXTNFZQFKDP-UHFFFAOYSA-N 1 2 357.414 2.575 20 30 FFEDLO Cn1cc(Cl)c(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000420937549 514388914 /nfs/dbraw/zinc/38/89/14/514388914.db2.gz OCKPFKVRPURNGZ-UHFFFAOYSA-N 1 2 357.845 2.796 20 30 FFEDLO C=CCn1cc(C[NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)nn1 ZINC000424169559 514405178 /nfs/dbraw/zinc/40/51/78/514405178.db2.gz IIUMOQCTATYVNI-UHFFFAOYSA-N 1 2 350.348 2.659 20 30 FFEDLO CC1CC[NH+](Cc2csc(NC(=O)CN(C)CC(C)(C)C#N)n2)CC1 ZINC000433305645 514452585 /nfs/dbraw/zinc/45/25/85/514452585.db2.gz QKEOVZULDMDSSN-UHFFFAOYSA-N 1 2 363.531 2.795 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC)Cc1ccccc1Br ZINC000439330991 514531593 /nfs/dbraw/zinc/53/15/93/514531593.db2.gz ZCUCCNYVJLCLLX-GFCCVEGCSA-N 1 2 368.275 2.671 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CC)Cc1ccccc1Br ZINC000439330991 514531603 /nfs/dbraw/zinc/53/16/03/514531603.db2.gz ZCUCCNYVJLCLLX-GFCCVEGCSA-N 1 2 368.275 2.671 20 30 FFEDLO Cc1ccc([C@H](CNc2ncc(C#N)cc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000450266818 514572200 /nfs/dbraw/zinc/57/22/00/514572200.db2.gz UJGUZVORAQWQCQ-SFHVURJKSA-N 1 2 367.409 2.655 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000470842209 514637015 /nfs/dbraw/zinc/63/70/15/514637015.db2.gz RNLODUOJRMLVDS-NRFANRHFSA-N 1 2 369.428 2.802 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)CC2)cc1 ZINC000489017148 514674616 /nfs/dbraw/zinc/67/46/16/514674616.db2.gz SHTGBNWFWCWEJL-UHFFFAOYSA-N 1 2 373.416 2.823 20 30 FFEDLO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 ZINC000489024186 514677203 /nfs/dbraw/zinc/67/72/03/514677203.db2.gz RWUDIEAKQVSPRD-UHFFFAOYSA-N 1 2 373.453 2.512 20 30 FFEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2ccc(C(C)(C)C#N)cc2)no1 ZINC000475533598 514705519 /nfs/dbraw/zinc/70/55/19/514705519.db2.gz UNAJOMCBCWSYAE-UHFFFAOYSA-N 1 2 355.442 2.597 20 30 FFEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000470992531 514709521 /nfs/dbraw/zinc/70/95/21/514709521.db2.gz IJKPODKXCQUZFY-SFHVURJKSA-N 1 2 360.889 2.581 20 30 FFEDLO CC(C)[C@@H](C)NC(=O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471002729 514712382 /nfs/dbraw/zinc/71/23/82/514712382.db2.gz AYSVZCRAUXDGDD-CRAIPNDOSA-N 1 2 362.905 2.683 20 30 FFEDLO C[C@H]1CCCN(C(=O)C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1 ZINC000471008621 514713912 /nfs/dbraw/zinc/71/39/12/514713912.db2.gz QDJBMFDPOFDGTN-QFBILLFUSA-N 1 2 374.916 2.781 20 30 FFEDLO CC(C)C(=O)c1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000455816545 514756594 /nfs/dbraw/zinc/75/65/94/514756594.db2.gz KLFZTECNLNSGQV-UHFFFAOYSA-N 1 2 372.469 2.605 20 30 FFEDLO C[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000461886927 514768628 /nfs/dbraw/zinc/76/86/28/514768628.db2.gz CPVVJZXIRTUJDP-UTKZUKDTSA-N 1 2 363.461 2.851 20 30 FFEDLO Cc1cccc(C[NH+]2CCN(C(=O)CSc3ccc(C#N)cn3)CC2)c1 ZINC000498151990 514781014 /nfs/dbraw/zinc/78/10/14/514781014.db2.gz UEKTVYBOCRVBAU-UHFFFAOYSA-N 1 2 366.490 2.698 20 30 FFEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000475735047 514787256 /nfs/dbraw/zinc/78/72/56/514787256.db2.gz BBEJZTSJLRREKP-QWXGXRTQSA-N 1 2 369.490 2.605 20 30 FFEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000475735047 514787267 /nfs/dbraw/zinc/78/72/67/514787267.db2.gz BBEJZTSJLRREKP-QWXGXRTQSA-N 1 2 369.490 2.605 20 30 FFEDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000502822044 514793196 /nfs/dbraw/zinc/79/31/96/514793196.db2.gz ILKVKXHTBXACSH-AWEZNQCLSA-N 1 2 371.300 2.720 20 30 FFEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000502822044 514793202 /nfs/dbraw/zinc/79/32/02/514793202.db2.gz ILKVKXHTBXACSH-AWEZNQCLSA-N 1 2 371.300 2.720 20 30 FFEDLO Cc1cc(C#N)cc(NC(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c1 ZINC000456002608 514897664 /nfs/dbraw/zinc/89/76/64/514897664.db2.gz NHJJIQOXPVSSTL-OAHLLOKOSA-N 1 2 365.437 2.809 20 30 FFEDLO C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000508803864 514898007 /nfs/dbraw/zinc/89/80/07/514898007.db2.gz ZQWFWEAHXJRCQG-KRWDZBQOSA-N 1 2 373.888 2.695 20 30 FFEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NCc1ccc(N(C)C(C)C)[nH+]c1 ZINC000480306761 514915229 /nfs/dbraw/zinc/91/52/29/514915229.db2.gz LNDRDCHQCKHEGU-UHFFFAOYSA-N 1 2 361.453 2.721 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458577851 514920351 /nfs/dbraw/zinc/92/03/51/514920351.db2.gz BXJLPJZMHUZKNI-COXVUDFISA-N 1 2 369.868 2.851 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458577851 514920361 /nfs/dbraw/zinc/92/03/61/514920361.db2.gz BXJLPJZMHUZKNI-COXVUDFISA-N 1 2 369.868 2.851 20 30 FFEDLO Cc1cc(C)c(C#N)c(NCc2cccc(OCC[NH+]3CCOCC3)c2)n1 ZINC000462390536 515026868 /nfs/dbraw/zinc/02/68/68/515026868.db2.gz VEWBRFKWHOZKOO-UHFFFAOYSA-N 1 2 366.465 2.893 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456374621 515139332 /nfs/dbraw/zinc/13/93/32/515139332.db2.gz JQIJOTSFSUFPBY-UKRRQHHQSA-N 1 2 354.410 2.745 20 30 FFEDLO C=CCn1cccc1C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000490379964 515192523 /nfs/dbraw/zinc/19/25/23/515192523.db2.gz UJKSMWLGSYGVMB-UHFFFAOYSA-N 1 2 366.465 2.591 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)c1C ZINC000485855169 515216996 /nfs/dbraw/zinc/21/69/96/515216996.db2.gz MBTKUKIONHYMNM-KRWDZBQOSA-N 1 2 372.513 2.785 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)c1C ZINC000485855169 515217004 /nfs/dbraw/zinc/21/70/04/515217004.db2.gz MBTKUKIONHYMNM-KRWDZBQOSA-N 1 2 372.513 2.785 20 30 FFEDLO N#Cc1cccc(NC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)c1 ZINC000454203076 515306407 /nfs/dbraw/zinc/30/64/07/515306407.db2.gz NWTLBVNIAGBRCT-UHFFFAOYSA-N 1 2 354.410 2.518 20 30 FFEDLO C[N@H+](Cc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000477064559 515310796 /nfs/dbraw/zinc/31/07/96/515310796.db2.gz KLNMBLMGMSFWRA-KRWDZBQOSA-N 1 2 353.809 2.976 20 30 FFEDLO C[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000477064559 515310801 /nfs/dbraw/zinc/31/08/01/515310801.db2.gz KLNMBLMGMSFWRA-KRWDZBQOSA-N 1 2 353.809 2.976 20 30 FFEDLO C=CCC1(CNC(=O)NCc2ccc[nH+]c2N2CCOCC2)CCCC1 ZINC000454229248 515323548 /nfs/dbraw/zinc/32/35/48/515323548.db2.gz GDGFNFRUGVMARH-UHFFFAOYSA-N 1 2 358.486 2.854 20 30 FFEDLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccc(C#N)o3)[nH+]c12 ZINC000499444711 515326009 /nfs/dbraw/zinc/32/60/09/515326009.db2.gz OXHOXUCOPIOCKC-UHFFFAOYSA-N 1 2 373.210 2.842 20 30 FFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CNc2cccc(C#N)c2)CC1 ZINC000463212505 515397893 /nfs/dbraw/zinc/39/78/93/515397893.db2.gz JDHAZZZQHWBDQA-OAHLLOKOSA-N 1 2 354.479 2.937 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)C1=O ZINC000499772583 515448963 /nfs/dbraw/zinc/44/89/63/515448963.db2.gz LPPZGIUEBNDIHD-SFHVURJKSA-N 1 2 358.873 2.863 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)C1=O ZINC000499772583 515448972 /nfs/dbraw/zinc/44/89/72/515448972.db2.gz LPPZGIUEBNDIHD-SFHVURJKSA-N 1 2 358.873 2.863 20 30 FFEDLO C[C@](O)(C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)C(F)(F)F ZINC000499776732 515449820 /nfs/dbraw/zinc/44/98/20/515449820.db2.gz XEPFSOUJLVIYIB-GJZGRUSLSA-N 1 2 361.795 2.836 20 30 FFEDLO C=CCOCCCC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000463353254 515455963 /nfs/dbraw/zinc/45/59/63/515455963.db2.gz XDFFZRVDPPRZGN-UHFFFAOYSA-N 1 2 366.889 2.846 20 30 FFEDLO Cn1cc[nH+]c1CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000491756967 515469442 /nfs/dbraw/zinc/46/94/42/515469442.db2.gz NUGOULKTLLALCJ-UHFFFAOYSA-N 1 2 374.404 2.866 20 30 FFEDLO N#Cc1ccc(SCC(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000486447995 515486762 /nfs/dbraw/zinc/48/67/62/515486762.db2.gz NHMIBPFJVGKYTM-UHFFFAOYSA-N 1 2 354.357 2.726 20 30 FFEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)Cc3c(F)cccc3C#N)CC2)cs1 ZINC000510282655 515493976 /nfs/dbraw/zinc/49/39/76/515493976.db2.gz PLGLQXYMEAPTRL-UHFFFAOYSA-N 1 2 372.469 2.739 20 30 FFEDLO Cc1nc(C[N@H+]2CCCN(C(=O)Cc3c(F)cccc3C#N)CC2)cs1 ZINC000510282655 515493984 /nfs/dbraw/zinc/49/39/84/515493984.db2.gz PLGLQXYMEAPTRL-UHFFFAOYSA-N 1 2 372.469 2.739 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000510365141 515518208 /nfs/dbraw/zinc/51/82/08/515518208.db2.gz XKTBQQBEJVTYIN-KRWDZBQOSA-N 1 2 358.442 2.744 20 30 FFEDLO C=CCCS(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000486597316 515555191 /nfs/dbraw/zinc/55/51/91/515555191.db2.gz AWRXVUKXNLSPGV-DLBZAZTESA-N 1 2 358.454 2.984 20 30 FFEDLO C=CCCS(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000486597316 515555199 /nfs/dbraw/zinc/55/51/99/515555199.db2.gz AWRXVUKXNLSPGV-DLBZAZTESA-N 1 2 358.454 2.984 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(F)cc2Cl)C1=O ZINC000500014127 515557879 /nfs/dbraw/zinc/55/78/79/515557879.db2.gz MQBJGYPTBGNBTL-IAQYHMDHSA-N 1 2 353.825 2.525 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(F)cc2Cl)C1=O ZINC000500014127 515557885 /nfs/dbraw/zinc/55/78/85/515557885.db2.gz MQBJGYPTBGNBTL-IAQYHMDHSA-N 1 2 353.825 2.525 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](CC(C)C)c2ccccc2)C1=O ZINC000500014165 515558227 /nfs/dbraw/zinc/55/82/27/515558227.db2.gz MTIRJKIBWNGGDP-RBUKOAKNSA-N 1 2 357.498 2.609 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](CC(C)C)c2ccccc2)C1=O ZINC000500014165 515558233 /nfs/dbraw/zinc/55/82/33/515558233.db2.gz MTIRJKIBWNGGDP-RBUKOAKNSA-N 1 2 357.498 2.609 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3cccc(O)c3Br)CC2)n1 ZINC000459477850 515580412 /nfs/dbraw/zinc/58/04/12/515580412.db2.gz JOWDCEBBPHVALL-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO C=CCOC[C@@H]([NH2+][C@H]1CCc2cc(Br)ccc2C1)C(=O)OC ZINC000482437485 515675666 /nfs/dbraw/zinc/67/56/66/515675666.db2.gz KQELRDHCADDTCM-JKSUJKDBSA-N 1 2 368.271 2.640 20 30 FFEDLO COc1cc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc(OC)c1OC ZINC000459612104 515692641 /nfs/dbraw/zinc/69/26/41/515692641.db2.gz MFCJDKISGRUCGL-UHFFFAOYSA-N 1 2 354.406 2.847 20 30 FFEDLO O=C(NCC#Cc1cccc(F)c1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000510868989 515694749 /nfs/dbraw/zinc/69/47/49/515694749.db2.gz UMHRSPZIZVCBJF-UHFFFAOYSA-N 1 2 362.408 2.921 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](COc3ccccc3)C2)c1 ZINC000505847475 515695295 /nfs/dbraw/zinc/69/52/95/515695295.db2.gz ZVNFMLNRBLCHRQ-SFHVURJKSA-N 1 2 370.474 2.733 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](COc3ccccc3)C2)c1 ZINC000505847475 515695302 /nfs/dbraw/zinc/69/53/02/515695302.db2.gz ZVNFMLNRBLCHRQ-SFHVURJKSA-N 1 2 370.474 2.733 20 30 FFEDLO CC[N@@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)C[C@H](C)C#N ZINC000505893356 515713793 /nfs/dbraw/zinc/71/37/93/515713793.db2.gz DXVSQFFQHWGGPN-FOIQADDNSA-N 1 2 359.470 2.753 20 30 FFEDLO CC[N@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)C[C@H](C)C#N ZINC000505893356 515713801 /nfs/dbraw/zinc/71/38/01/515713801.db2.gz DXVSQFFQHWGGPN-FOIQADDNSA-N 1 2 359.470 2.753 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[NH+]1CCC(C)(C#N)CC1 ZINC000506047116 515762446 /nfs/dbraw/zinc/76/24/46/515762446.db2.gz HLORECLEHNWACV-NSHDSACASA-N 1 2 351.353 2.961 20 30 FFEDLO C=CCOc1ccc(C[NH2+]Cc2ncccc2S(C)(=O)=O)cc1Cl ZINC000487155592 515779034 /nfs/dbraw/zinc/77/90/34/515779034.db2.gz ITNKKAYPQZWXOZ-UHFFFAOYSA-N 1 2 366.870 2.993 20 30 FFEDLO COc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000506099333 515780115 /nfs/dbraw/zinc/78/01/15/515780115.db2.gz LCZYRYNCPRABNE-UHFFFAOYSA-N 1 2 351.450 2.893 20 30 FFEDLO COc1cc(Cl)ccc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000482723510 515784010 /nfs/dbraw/zinc/78/40/10/515784010.db2.gz XZIFBKIODJZOIJ-CYBMUJFWSA-N 1 2 357.845 2.721 20 30 FFEDLO COc1cc(Cl)ccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000482723510 515784018 /nfs/dbraw/zinc/78/40/18/515784018.db2.gz XZIFBKIODJZOIJ-CYBMUJFWSA-N 1 2 357.845 2.721 20 30 FFEDLO C[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)[C@H](C)[NH+]1CCOCC1 ZINC000469368066 515786929 /nfs/dbraw/zinc/78/69/29/515786929.db2.gz URYCBOQHWLGTFI-IRXDYDNUSA-N 1 2 368.481 2.784 20 30 FFEDLO C[NH+](C)Cc1csc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)n1 ZINC000457314893 515801332 /nfs/dbraw/zinc/80/13/32/515801332.db2.gz NVGWKAGDXJROSK-CYBMUJFWSA-N 1 2 373.457 2.680 20 30 FFEDLO N#Cc1cc(F)cc(C2(C(=O)NC3CCN(c4cccc[nH+]4)CC3)CC2)c1 ZINC000506459891 515887681 /nfs/dbraw/zinc/88/76/81/515887681.db2.gz LFGHHVHRKPISIF-UHFFFAOYSA-N 1 2 364.424 2.909 20 30 FFEDLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000464818894 515973269 /nfs/dbraw/zinc/97/32/69/515973269.db2.gz AADRTBVUNXNBKG-IEBWSBKVSA-N 1 2 369.465 2.941 20 30 FFEDLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000464818894 515973277 /nfs/dbraw/zinc/97/32/77/515973277.db2.gz AADRTBVUNXNBKG-IEBWSBKVSA-N 1 2 369.465 2.941 20 30 FFEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000511686796 516002757 /nfs/dbraw/zinc/00/27/57/516002757.db2.gz BYPWUBWKKHWSRI-UHFFFAOYSA-N 1 2 372.363 2.743 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000483250878 516003582 /nfs/dbraw/zinc/00/35/82/516003582.db2.gz BYVMEPSKVLUGGW-SMDDNHRTSA-N 1 2 358.269 2.625 20 30 FFEDLO C[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000507305123 516165419 /nfs/dbraw/zinc/16/54/19/516165419.db2.gz UFHWNABBDCZVCU-SPYBWZPUSA-N 1 2 360.458 2.554 20 30 FFEDLO C[N@H+](CCc1nc(-c2ccccc2)no1)CC(=O)Nc1ccc(C#N)cc1 ZINC000512179259 516185993 /nfs/dbraw/zinc/18/59/93/516185993.db2.gz KWNCGTUCSCTBFD-UHFFFAOYSA-N 1 2 361.405 2.721 20 30 FFEDLO C[N@@H+](CCc1nc(-c2ccccc2)no1)CC(=O)Nc1ccc(C#N)cc1 ZINC000512179259 516186005 /nfs/dbraw/zinc/18/60/05/516186005.db2.gz KWNCGTUCSCTBFD-UHFFFAOYSA-N 1 2 361.405 2.721 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000512200192 516195061 /nfs/dbraw/zinc/19/50/61/516195061.db2.gz WSUHDBSPUIDOFF-OAHLLOKOSA-N 1 2 360.376 2.703 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000512200192 516195070 /nfs/dbraw/zinc/19/50/70/516195070.db2.gz WSUHDBSPUIDOFF-OAHLLOKOSA-N 1 2 360.376 2.703 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+](CCC1CCCCC1)CC(N)=O)c1ccccc1 ZINC000507431934 516211370 /nfs/dbraw/zinc/21/13/70/516211370.db2.gz AFTBRKRRRLBVJD-UHFFFAOYSA-N 1 2 370.497 2.691 20 30 FFEDLO N#CCCN(C(=O)C[N@H+](CCC1CCCCC1)CC(N)=O)c1ccccc1 ZINC000507431934 516211377 /nfs/dbraw/zinc/21/13/77/516211377.db2.gz AFTBRKRRRLBVJD-UHFFFAOYSA-N 1 2 370.497 2.691 20 30 FFEDLO Cc1c(C#N)cccc1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000512666430 516320039 /nfs/dbraw/zinc/32/00/39/516320039.db2.gz VRZYPAMUPFEIKP-HXUWFJFHSA-N 1 2 363.461 2.540 20 30 FFEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 ZINC000528408164 516414129 /nfs/dbraw/zinc/41/41/29/516414129.db2.gz GIVSCQLAHSQGJN-HNNXBMFYSA-N 1 2 352.413 2.540 20 30 FFEDLO C=CCN1CC[C@H](N(C)c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1=O ZINC000513084859 516466447 /nfs/dbraw/zinc/46/64/47/516466447.db2.gz WZXCDDQCXICGLY-INIZCTEOSA-N 1 2 367.409 2.583 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc4c(c3)OCCO4)CC2)s1 ZINC000535781883 516506809 /nfs/dbraw/zinc/50/68/09/516506809.db2.gz FLVQVGUWNQWYBF-UHFFFAOYSA-N 1 2 355.463 2.709 20 30 FFEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)s1 ZINC000535781883 516506818 /nfs/dbraw/zinc/50/68/18/516506818.db2.gz FLVQVGUWNQWYBF-UHFFFAOYSA-N 1 2 355.463 2.709 20 30 FFEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000540338021 516517310 /nfs/dbraw/zinc/51/73/10/516517310.db2.gz IPMHGPSBTDODKI-ZDUSSCGKSA-N 1 2 355.373 2.884 20 30 FFEDLO N#CCc1ccnc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c1 ZINC000531670696 516590128 /nfs/dbraw/zinc/59/01/28/516590128.db2.gz BSDZWHRCDMLKBA-UHFFFAOYSA-N 1 2 374.404 2.625 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528761648 516676515 /nfs/dbraw/zinc/67/65/15/516676515.db2.gz JERQZIICWKRUGJ-KKSFZXQISA-N 1 2 367.497 2.733 20 30 FFEDLO COc1ccc(F)cc1C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513666775 516711703 /nfs/dbraw/zinc/71/17/03/516711703.db2.gz OPJVLBOLDVUKIU-VLIAUNLRSA-N 1 2 351.381 2.680 20 30 FFEDLO COc1ccc(F)cc1C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513666775 516711708 /nfs/dbraw/zinc/71/17/08/516711708.db2.gz OPJVLBOLDVUKIU-VLIAUNLRSA-N 1 2 351.381 2.680 20 30 FFEDLO COc1ccc(F)cc1C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513666774 516711918 /nfs/dbraw/zinc/71/19/18/516711918.db2.gz OPJVLBOLDVUKIU-VBKZILBWSA-N 1 2 351.381 2.680 20 30 FFEDLO COc1ccc(F)cc1C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513666774 516711925 /nfs/dbraw/zinc/71/19/25/516711925.db2.gz OPJVLBOLDVUKIU-VBKZILBWSA-N 1 2 351.381 2.680 20 30 FFEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3cccc(C#N)c3C)CC2)no1 ZINC000513821531 516771343 /nfs/dbraw/zinc/77/13/43/516771343.db2.gz KJOZXGUNTVCSGG-QGZVFWFLSA-N 1 2 367.453 2.685 20 30 FFEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3cccc(C#N)c3C)CC2)no1 ZINC000513821531 516771354 /nfs/dbraw/zinc/77/13/54/516771354.db2.gz KJOZXGUNTVCSGG-QGZVFWFLSA-N 1 2 367.453 2.685 20 30 FFEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000558572467 516815312 /nfs/dbraw/zinc/81/53/12/516815312.db2.gz ZWWLOSPCMBHGNT-BBRMVZONSA-N 1 2 353.388 2.872 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000558572468 516815887 /nfs/dbraw/zinc/81/58/87/516815887.db2.gz ZWWLOSPCMBHGNT-CJNGLKHVSA-N 1 2 353.388 2.872 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC(CC#N)CC1)c1ccc(F)cc1 ZINC000541037288 516840473 /nfs/dbraw/zinc/84/04/73/516840473.db2.gz ZIDOXEOGLURFFZ-QGZVFWFLSA-N 1 2 355.417 2.984 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541165394 516908003 /nfs/dbraw/zinc/90/80/03/516908003.db2.gz ZOAGSRGEDKDROQ-WMLDXEAASA-N 1 2 362.355 2.869 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541165394 516908013 /nfs/dbraw/zinc/90/80/13/516908013.db2.gz ZOAGSRGEDKDROQ-WMLDXEAASA-N 1 2 362.355 2.869 20 30 FFEDLO C[C@@H]([NH2+][C@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1ccc(C#N)cc1 ZINC000558735206 516919261 /nfs/dbraw/zinc/91/92/61/516919261.db2.gz SKSVIDTWUJOVSC-ZIAGYGMSSA-N 1 2 359.437 2.733 20 30 FFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000514725997 517026474 /nfs/dbraw/zinc/02/64/74/517026474.db2.gz VWZFHEMWKBCYSW-KXWSQRDISA-N 1 2 365.543 2.514 20 30 FFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000514725997 517026487 /nfs/dbraw/zinc/02/64/87/517026487.db2.gz VWZFHEMWKBCYSW-KXWSQRDISA-N 1 2 365.543 2.514 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1csc2nc(-c3ccccc3)cn12 ZINC000562322832 517031895 /nfs/dbraw/zinc/03/18/95/517031895.db2.gz QQWFLGDCCFBWGT-LJQANCHMSA-N 1 2 367.478 2.565 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000532583452 517047713 /nfs/dbraw/zinc/04/77/13/517047713.db2.gz UGVGFOSPEYAQNO-MMOPVJDHSA-N 1 2 370.497 2.557 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000532583452 517047723 /nfs/dbraw/zinc/04/77/23/517047723.db2.gz UGVGFOSPEYAQNO-MMOPVJDHSA-N 1 2 370.497 2.557 20 30 FFEDLO Cn1cc[nH+]c1CN1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000519573179 517052553 /nfs/dbraw/zinc/05/25/53/517052553.db2.gz PSTQIDBJANPVRK-UHFFFAOYSA-N 1 2 363.387 2.628 20 30 FFEDLO C[C@@H](c1nnc(Sc2cc(C#N)ncn2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000555798527 517130556 /nfs/dbraw/zinc/13/05/56/517130556.db2.gz KDFYHNVBCMOAKY-NSHDSACASA-N 1 2 369.429 2.842 20 30 FFEDLO C[N@@H+]1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@@H](c2ccccc2)C1 ZINC000537304902 517135354 /nfs/dbraw/zinc/13/53/54/517135354.db2.gz YJTRPJHVTLVBEP-OAQYLSRUSA-N 1 2 371.444 2.873 20 30 FFEDLO C[N@H+]1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@@H](c2ccccc2)C1 ZINC000537304902 517135362 /nfs/dbraw/zinc/13/53/62/517135362.db2.gz YJTRPJHVTLVBEP-OAQYLSRUSA-N 1 2 371.444 2.873 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000532906619 517195755 /nfs/dbraw/zinc/19/57/55/517195755.db2.gz BOZULTKDROMXGN-SFHVURJKSA-N 1 2 366.465 2.733 20 30 FFEDLO C[C@H]1C[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC000537597041 517248687 /nfs/dbraw/zinc/24/86/87/517248687.db2.gz NYVCHVWWMLGTLP-WMZOPIPTSA-N 1 2 353.466 2.666 20 30 FFEDLO Cc1cc(C)c(NC(=O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)c(C)c1 ZINC000545504789 517272228 /nfs/dbraw/zinc/27/22/28/517272228.db2.gz BFNRQERYEZVKHK-UHFFFAOYSA-N 1 2 363.465 2.639 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3c(C4CC4)nc4sccn34)CC2)n1 ZINC000545551339 517287400 /nfs/dbraw/zinc/28/74/00/517287400.db2.gz YDVZGVKQUGHTDE-UHFFFAOYSA-N 1 2 364.478 2.862 20 30 FFEDLO C=CC[N@@H+](Cc1nc(CCC)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520195891 517297770 /nfs/dbraw/zinc/29/77/70/517297770.db2.gz PLHHWLUDNRTBFN-AWEZNQCLSA-N 1 2 353.430 2.747 20 30 FFEDLO C=CC[N@H+](Cc1nc(CCC)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520195891 517297774 /nfs/dbraw/zinc/29/77/74/517297774.db2.gz PLHHWLUDNRTBFN-AWEZNQCLSA-N 1 2 353.430 2.747 20 30 FFEDLO CC(C)(CNC(=O)CSc1cccc(Cl)c1C#N)[NH+]1CCOCC1 ZINC000542101759 517384814 /nfs/dbraw/zinc/38/48/14/517384814.db2.gz MNMSVFPKWKPOTB-UHFFFAOYSA-N 1 2 367.902 2.531 20 30 FFEDLO C[C@H]([C@H](C)NC(=O)c1ccc(C#Cc2ccccc2)cc1)[NH+]1CCOCC1 ZINC000520529691 517423351 /nfs/dbraw/zinc/42/33/51/517423351.db2.gz FZRFGUCWESVVRJ-RBUKOAKNSA-N 1 2 362.473 2.925 20 30 FFEDLO COc1cc(C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N)c(SC)cc1OC ZINC000533429286 517457860 /nfs/dbraw/zinc/45/78/60/517457860.db2.gz CDWBBWXPEVYNFF-ZDUSSCGKSA-N 1 2 365.499 2.618 20 30 FFEDLO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N)c(SC)cc1OC ZINC000533429286 517457868 /nfs/dbraw/zinc/45/78/68/517457868.db2.gz CDWBBWXPEVYNFF-ZDUSSCGKSA-N 1 2 365.499 2.618 20 30 FFEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)n1cnc2ccccc21 ZINC000533510402 517499513 /nfs/dbraw/zinc/49/95/13/517499513.db2.gz YFCVLQHQUQQWMC-QGZVFWFLSA-N 1 2 373.460 2.813 20 30 FFEDLO CC(C)c1cccc(NC(=O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000546213807 517601407 /nfs/dbraw/zinc/60/14/07/517601407.db2.gz YFDDSWSJOFQHNW-UHFFFAOYSA-N 1 2 363.465 2.837 20 30 FFEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000533798969 517615892 /nfs/dbraw/zinc/61/58/92/517615892.db2.gz WSLXBZVFHWVPPH-UHFFFAOYSA-N 1 2 351.853 2.802 20 30 FFEDLO N#Cc1cccc(-c2nnc(CN3CC[NH+](Cc4ccsc4)CC3)o2)c1 ZINC000533816114 517625428 /nfs/dbraw/zinc/62/54/28/517625428.db2.gz UIWAVYMGVWWABF-UHFFFAOYSA-N 1 2 365.462 2.988 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cccc(Nc3ccccc3)c2)c1C#N ZINC000534056093 517723341 /nfs/dbraw/zinc/72/33/41/517723341.db2.gz IMTKYWILAFXWKI-UHFFFAOYSA-N 1 2 374.448 2.851 20 30 FFEDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000553534682 517769895 /nfs/dbraw/zinc/76/98/95/517769895.db2.gz NVLSBVYUILMJIN-UHFFFAOYSA-N 1 2 369.402 2.950 20 30 FFEDLO Cc1ccc(OC(F)F)c(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000557001082 517797793 /nfs/dbraw/zinc/79/77/93/517797793.db2.gz ZEPGHLLPMAKNKC-CQSZACIVSA-N 1 2 373.407 2.969 20 30 FFEDLO Cc1ccc(OC(F)F)c(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000557001082 517797801 /nfs/dbraw/zinc/79/78/01/517797801.db2.gz ZEPGHLLPMAKNKC-CQSZACIVSA-N 1 2 373.407 2.969 20 30 FFEDLO CC(C)Oc1cccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000534370927 517870842 /nfs/dbraw/zinc/87/08/42/517870842.db2.gz QGZUPFIVARJYRB-UHFFFAOYSA-N 1 2 364.449 2.698 20 30 FFEDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000516942432 517930172 /nfs/dbraw/zinc/93/01/72/517930172.db2.gz SUTJSOYJMNLMGG-CQSZACIVSA-N 1 2 360.401 2.976 20 30 FFEDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000516942432 517930178 /nfs/dbraw/zinc/93/01/78/517930178.db2.gz SUTJSOYJMNLMGG-CQSZACIVSA-N 1 2 360.401 2.976 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3cnn(-c4ccc(F)cc4)c3)CC2)n1 ZINC000546965925 517937882 /nfs/dbraw/zinc/93/78/82/517937882.db2.gz HWBAWKGSNCUGEK-UHFFFAOYSA-N 1 2 362.412 2.600 20 30 FFEDLO CC[C@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1[nH]cc[nH+]1 ZINC000560628762 517941832 /nfs/dbraw/zinc/94/18/32/517941832.db2.gz GELDDXHODOJHLG-INIZCTEOSA-N 1 2 355.417 2.904 20 30 FFEDLO C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+]Cc2nc(C#N)cs2)C1=O ZINC000550255725 517955101 /nfs/dbraw/zinc/95/51/01/517955101.db2.gz OWUQKJUNHHRRFS-WBMJQRKESA-N 1 2 358.442 2.996 20 30 FFEDLO C=CC[C@H](CO)CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000539309038 517986895 /nfs/dbraw/zinc/98/68/95/517986895.db2.gz USLQFEJSCXAPHD-ZACQAIPSSA-N 1 2 361.486 2.602 20 30 FFEDLO C=CCC(C)(C)CNC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000563772402 518117601 /nfs/dbraw/zinc/11/76/01/518117601.db2.gz FNIVWSGFCJXDIF-UHFFFAOYSA-N 1 2 373.497 2.887 20 30 FFEDLO N#Cc1cccc(NC(=O)C2CCN(c3nc(N)c4ccccc4[nH+]3)CC2)c1 ZINC000535008451 518118436 /nfs/dbraw/zinc/11/84/36/518118436.db2.gz IDCRCABIXMKIIN-UHFFFAOYSA-N 1 2 372.432 2.769 20 30 FFEDLO Cc1nnc([C@H]2CC[N@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)[nH]1 ZINC000569670976 518229648 /nfs/dbraw/zinc/22/96/48/518229648.db2.gz BUGLASXGXVMSOD-HNNXBMFYSA-N 1 2 362.437 2.654 20 30 FFEDLO Cc1nnc([C@H]2CC[N@@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)[nH]1 ZINC000569670976 518229654 /nfs/dbraw/zinc/22/96/54/518229654.db2.gz BUGLASXGXVMSOD-HNNXBMFYSA-N 1 2 362.437 2.654 20 30 FFEDLO Cc1n[nH]c([C@H]2CC[N@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)n1 ZINC000569670976 518229658 /nfs/dbraw/zinc/22/96/58/518229658.db2.gz BUGLASXGXVMSOD-HNNXBMFYSA-N 1 2 362.437 2.654 20 30 FFEDLO Cc1n[nH]c([C@H]2CC[N@@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)n1 ZINC000569670976 518229663 /nfs/dbraw/zinc/22/96/63/518229663.db2.gz BUGLASXGXVMSOD-HNNXBMFYSA-N 1 2 362.437 2.654 20 30 FFEDLO Cc1nc([C@H]2CC[N@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)n[nH]1 ZINC000569670976 518229668 /nfs/dbraw/zinc/22/96/68/518229668.db2.gz BUGLASXGXVMSOD-HNNXBMFYSA-N 1 2 362.437 2.654 20 30 FFEDLO Cc1nc([C@H]2CC[N@@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)n[nH]1 ZINC000569670976 518229672 /nfs/dbraw/zinc/22/96/72/518229672.db2.gz BUGLASXGXVMSOD-HNNXBMFYSA-N 1 2 362.437 2.654 20 30 FFEDLO CC1(C)C[NH+](CC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 ZINC000584240362 518242251 /nfs/dbraw/zinc/24/22/51/518242251.db2.gz FIYAPBQPGZULSG-UHFFFAOYSA-N 1 2 354.454 2.550 20 30 FFEDLO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000578511739 518245596 /nfs/dbraw/zinc/24/55/96/518245596.db2.gz CWPPJTGMIOGZLB-LRDDRELGSA-N 1 2 357.376 2.724 20 30 FFEDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1nc2c(s1)CCC2 ZINC000567086186 518344556 /nfs/dbraw/zinc/34/45/56/518344556.db2.gz ITTPHRFGYJYDCN-LBPRGKRZSA-N 1 2 361.492 2.628 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC000576183071 518468944 /nfs/dbraw/zinc/46/89/44/518468944.db2.gz RTVKMLVUMDANMN-KXBFYZLASA-N 1 2 362.905 2.905 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC000576183071 518468951 /nfs/dbraw/zinc/46/89/51/518468951.db2.gz RTVKMLVUMDANMN-KXBFYZLASA-N 1 2 362.905 2.905 20 30 FFEDLO COC(=O)c1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(C#N)n1 ZINC000581936142 518510512 /nfs/dbraw/zinc/51/05/12/518510512.db2.gz APAFSPFEKJSABL-UHFFFAOYSA-N 1 2 370.840 2.715 20 30 FFEDLO C=CC[N@@H+](Cc1cn(C(C)C)nn1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000584865991 518514743 /nfs/dbraw/zinc/51/47/43/518514743.db2.gz LKPMENQEOWHDIK-OAHLLOKOSA-N 1 2 352.446 2.584 20 30 FFEDLO C=CC[N@H+](Cc1cn(C(C)C)nn1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000584865991 518514749 /nfs/dbraw/zinc/51/47/49/518514749.db2.gz LKPMENQEOWHDIK-OAHLLOKOSA-N 1 2 352.446 2.584 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3C[C@H]3C3CCC3)CC2)cc1 ZINC000582237602 518654417 /nfs/dbraw/zinc/65/44/17/518654417.db2.gz DQRLVVSWEKFOIC-PMACEKPBSA-N 1 2 352.482 2.822 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1cccc(Cl)c1 ZINC000582264554 518666397 /nfs/dbraw/zinc/66/63/97/518666397.db2.gz PGWFIWVPULEXSX-UHFFFAOYSA-N 1 2 363.870 2.902 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1cccc(Cl)c1 ZINC000582264554 518666401 /nfs/dbraw/zinc/66/64/01/518666401.db2.gz PGWFIWVPULEXSX-UHFFFAOYSA-N 1 2 363.870 2.902 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000567708124 518666893 /nfs/dbraw/zinc/66/68/93/518666893.db2.gz YIKOTUZFEOFQOO-SFHVURJKSA-N 1 2 356.397 2.642 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000567708124 518666896 /nfs/dbraw/zinc/66/68/96/518666896.db2.gz YIKOTUZFEOFQOO-SFHVURJKSA-N 1 2 356.397 2.642 20 30 FFEDLO CCc1cccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000570575951 518676449 /nfs/dbraw/zinc/67/64/49/518676449.db2.gz VOHCRGYMIZZKRC-SFHVURJKSA-N 1 2 350.422 2.607 20 30 FFEDLO CCc1cccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000570575951 518676453 /nfs/dbraw/zinc/67/64/53/518676453.db2.gz VOHCRGYMIZZKRC-SFHVURJKSA-N 1 2 350.422 2.607 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000582299134 518688002 /nfs/dbraw/zinc/68/80/02/518688002.db2.gz VRPPMPVXYVNEBZ-APWZRJJASA-N 1 2 359.495 2.530 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000582299134 518688005 /nfs/dbraw/zinc/68/80/05/518688005.db2.gz VRPPMPVXYVNEBZ-APWZRJJASA-N 1 2 359.495 2.530 20 30 FFEDLO COc1cc(F)ccc1N1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000567990091 518819356 /nfs/dbraw/zinc/81/93/56/518819356.db2.gz ZXGQTWOTXXNQHW-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO N#Cc1ccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1F ZINC000579770086 518841248 /nfs/dbraw/zinc/84/12/48/518841248.db2.gz GWLVCGBJTQVSKN-SFHVURJKSA-N 1 2 368.412 2.720 20 30 FFEDLO N#Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1F ZINC000579770086 518841255 /nfs/dbraw/zinc/84/12/55/518841255.db2.gz GWLVCGBJTQVSKN-SFHVURJKSA-N 1 2 368.412 2.720 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccccc1-n1ncc(C#N)c1N ZINC000588837045 518842827 /nfs/dbraw/zinc/84/28/27/518842827.db2.gz LHNTZNDINWYTKH-UHFFFAOYSA-N 1 2 371.404 2.623 20 30 FFEDLO CC1(C)C[N@@H+]([C@@H](CNc2ccnc(C#N)n2)c2ccc(Cl)cc2)CCO1 ZINC000565220276 518848458 /nfs/dbraw/zinc/84/84/58/518848458.db2.gz DJYQXXWFEZUCAK-INIZCTEOSA-N 1 2 371.872 2.688 20 30 FFEDLO CC1(C)C[N@H+]([C@@H](CNc2ccnc(C#N)n2)c2ccc(Cl)cc2)CCO1 ZINC000565220276 518848465 /nfs/dbraw/zinc/84/84/65/518848465.db2.gz DJYQXXWFEZUCAK-INIZCTEOSA-N 1 2 371.872 2.688 20 30 FFEDLO N#Cc1csc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)n1 ZINC000573885991 518881341 /nfs/dbraw/zinc/88/13/41/518881341.db2.gz BVGIDPVLJIDDMZ-UHFFFAOYSA-N 1 2 352.213 2.796 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](C)c1cccc(OC)c1 ZINC000577439370 519079781 /nfs/dbraw/zinc/07/97/81/519079781.db2.gz YBMXGNZXJXQDLO-OAHLLOKOSA-N 1 2 373.478 2.819 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](C)c1cccc(OC)c1 ZINC000577439370 519079789 /nfs/dbraw/zinc/07/97/89/519079789.db2.gz YBMXGNZXJXQDLO-OAHLLOKOSA-N 1 2 373.478 2.819 20 30 FFEDLO Cc1ccc(CNC(=O)C2CC[NH+](Cc3nc(C#N)cs3)CC2)cc1 ZINC000583174492 519110881 /nfs/dbraw/zinc/11/08/81/519110881.db2.gz DQIIXCKBTCCHTH-UHFFFAOYSA-N 1 2 354.479 2.852 20 30 FFEDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000590012146 519128723 /nfs/dbraw/zinc/12/87/23/519128723.db2.gz ZWODQQWPSWNGKN-UHFFFAOYSA-N 1 2 367.409 2.582 20 30 FFEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000583479789 519268725 /nfs/dbraw/zinc/26/87/25/519268725.db2.gz WWRRQSFIGRYRIY-DOMZBBRYSA-N 1 2 361.243 2.588 20 30 FFEDLO Cc1cc(N2CCC[C@@H]2C[C@H](C)O)c(C#N)c(N2CCC[C@@H]2C[C@H](C)O)[nH+]1 ZINC000590581793 519273434 /nfs/dbraw/zinc/27/34/34/519273434.db2.gz OAKOTMHYROXOCW-WNRNVDISSA-N 1 2 372.513 2.741 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](c3ccccn3)C2)cc1 ZINC000590601880 519283378 /nfs/dbraw/zinc/28/33/78/519283378.db2.gz SHOXRLOVSPUOCK-KRWDZBQOSA-N 1 2 355.463 2.607 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](c3ccccn3)C2)cc1 ZINC000590601880 519283380 /nfs/dbraw/zinc/28/33/80/519283380.db2.gz SHOXRLOVSPUOCK-KRWDZBQOSA-N 1 2 355.463 2.607 20 30 FFEDLO C=CCc1ccc(OCC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(OC)c1 ZINC000590733754 519339133 /nfs/dbraw/zinc/33/91/33/519339133.db2.gz VGTRUWQEPUAYHC-KRWDZBQOSA-N 1 2 355.438 2.863 20 30 FFEDLO N#CCCC1CC[NH+](Cc2nc(N)nc(Nc3ccc(F)cc3)n2)CC1 ZINC000566173820 519350412 /nfs/dbraw/zinc/35/04/12/519350412.db2.gz NKFBMVDQRIYZCO-UHFFFAOYSA-N 1 2 355.421 2.683 20 30 FFEDLO C=CCCCNC(=O)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000569150944 519401491 /nfs/dbraw/zinc/40/14/91/519401491.db2.gz ZMBYRYBCHPMLOC-UHFFFAOYSA-N 1 2 374.872 2.648 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC3(C(F)(F)F)CC3)CC2)cc1 ZINC000578216227 519478929 /nfs/dbraw/zinc/47/89/29/519478929.db2.gz AYDBZFZUEJEEOB-UHFFFAOYSA-N 1 2 366.387 2.728 20 30 FFEDLO N#Cc1c(F)cccc1N1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000578266495 519503667 /nfs/dbraw/zinc/50/36/67/519503667.db2.gz OYSKCFBYBVGXEX-UHFFFAOYSA-N 1 2 364.384 2.699 20 30 FFEDLO N#Cc1csc(C[NH2+][C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)n1 ZINC000583963954 519519265 /nfs/dbraw/zinc/51/92/65/519519265.db2.gz LCMGYLDYEMXPTJ-LLVKDONJSA-N 1 2 366.368 2.929 20 30 FFEDLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc(C#N)c(Cl)c3)[nH+]cn2)C1 ZINC000591158620 519532782 /nfs/dbraw/zinc/53/27/82/519532782.db2.gz TWLLOKUXRWWLTD-SWLSCSKDSA-N 1 2 357.845 2.821 20 30 FFEDLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc(C#N)c(Cl)c3)nc[nH+]2)C1 ZINC000591158620 519532790 /nfs/dbraw/zinc/53/27/90/519532790.db2.gz TWLLOKUXRWWLTD-SWLSCSKDSA-N 1 2 357.845 2.821 20 30 FFEDLO Cc1cc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(C#N)cc1N(C)C ZINC000591343092 519599975 /nfs/dbraw/zinc/59/99/75/519599975.db2.gz YUCFDAVDLWDSOU-INIZCTEOSA-N 1 2 352.442 2.998 20 30 FFEDLO Cc1sc2nc([C@@H](C)[N@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)nc(N)c2c1C ZINC000602853541 519925621 /nfs/dbraw/zinc/92/56/21/519925621.db2.gz JTISAULDWPWUHB-NTZNESFSSA-N 1 2 358.515 2.870 20 30 FFEDLO Cc1sc2nc([C@@H](C)[N@@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)nc(N)c2c1C ZINC000602853541 519925632 /nfs/dbraw/zinc/92/56/32/519925632.db2.gz JTISAULDWPWUHB-NTZNESFSSA-N 1 2 358.515 2.870 20 30 FFEDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C[C@H](C)N1CC#N ZINC000602852604 519926978 /nfs/dbraw/zinc/92/69/78/519926978.db2.gz DDWMGSVNHWYOJR-IIYDPXPESA-N 1 2 364.852 2.503 20 30 FFEDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C[C@H](C)N1CC#N ZINC000602852604 519926982 /nfs/dbraw/zinc/92/69/82/519926982.db2.gz DDWMGSVNHWYOJR-IIYDPXPESA-N 1 2 364.852 2.503 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857749 519928832 /nfs/dbraw/zinc/92/88/32/519928832.db2.gz UPTIXSNMOQCCMV-MELADBBJSA-N 1 2 366.412 2.533 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H](C)N1CC#N ZINC000602857246 519929786 /nfs/dbraw/zinc/92/97/86/519929786.db2.gz PUFAVUSHNUTGGP-IYBDPMFKSA-N 1 2 373.888 2.505 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H](C)N1CC#N ZINC000602857246 519929798 /nfs/dbraw/zinc/92/97/98/519929798.db2.gz PUFAVUSHNUTGGP-IYBDPMFKSA-N 1 2 373.888 2.505 20 30 FFEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NS(=O)(=O)CC2(C#N)CCC2)c(C)c1 ZINC000616175871 519931714 /nfs/dbraw/zinc/93/17/14/519931714.db2.gz GQXXZBMCQZIRKP-GOSISDBHSA-N 1 2 372.494 2.855 20 30 FFEDLO C[C@@H]1C[NH+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@@H](C)N1CC#N ZINC000602862141 519933449 /nfs/dbraw/zinc/93/34/49/519933449.db2.gz MPZALJAJRMLHKR-CHWSQXEVSA-N 1 2 354.376 2.562 20 30 FFEDLO Cc1ccc(F)c(N2CCC[C@H]([N@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)C2=O)c1 ZINC000602859475 519933883 /nfs/dbraw/zinc/93/38/83/519933883.db2.gz YXTXNQVPAYKKMY-JZXOWHBKSA-N 1 2 358.461 2.548 20 30 FFEDLO Cc1ccc(F)c(N2CCC[C@H]([N@@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)C2=O)c1 ZINC000602859475 519933885 /nfs/dbraw/zinc/93/38/85/519933885.db2.gz YXTXNQVPAYKKMY-JZXOWHBKSA-N 1 2 358.461 2.548 20 30 FFEDLO C[C@H]1C[NH+](CC(=O)NCCc2ccc(C(C)(C)C)cc2)C[C@H](C)N1CC#N ZINC000602863238 519936248 /nfs/dbraw/zinc/93/62/48/519936248.db2.gz PDTSIZGCNYQNPS-ROUUACIJSA-N 1 2 370.541 2.561 20 30 FFEDLO CC[C@H](C(=O)NC1(c2ccc(C#N)cc2)CCC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000594403843 519943629 /nfs/dbraw/zinc/94/36/29/519943629.db2.gz QKKKVPHCGSCZLC-RBUKOAKNSA-N 1 2 355.482 2.943 20 30 FFEDLO CC[C@H](C(=O)NC1(c2ccc(C#N)cc2)CCC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000594403843 519943633 /nfs/dbraw/zinc/94/36/33/519943633.db2.gz QKKKVPHCGSCZLC-RBUKOAKNSA-N 1 2 355.482 2.943 20 30 FFEDLO N#Cc1c(F)cc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1F ZINC000597398503 520000518 /nfs/dbraw/zinc/00/05/18/520000518.db2.gz JRMXCHHXEREXSO-UHFFFAOYSA-N 1 2 359.351 2.934 20 30 FFEDLO C[N@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602974771 520001765 /nfs/dbraw/zinc/00/17/65/520001765.db2.gz TXDWYOBSLACTKT-ZBFHGGJFSA-N 1 2 351.397 2.571 20 30 FFEDLO C[N@@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602974771 520001773 /nfs/dbraw/zinc/00/17/73/520001773.db2.gz TXDWYOBSLACTKT-ZBFHGGJFSA-N 1 2 351.397 2.571 20 30 FFEDLO C[N@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602979868 520004921 /nfs/dbraw/zinc/00/49/21/520004921.db2.gz IRQLKFSDHSGOQY-XYJFISCASA-N 1 2 354.479 2.973 20 30 FFEDLO C[N@@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602979868 520004931 /nfs/dbraw/zinc/00/49/31/520004931.db2.gz IRQLKFSDHSGOQY-XYJFISCASA-N 1 2 354.479 2.973 20 30 FFEDLO N#Cc1ccccc1Oc1ccc(NC[C@@H](O)C[NH+]2CCOCC2)cc1F ZINC000591774171 520034652 /nfs/dbraw/zinc/03/46/52/520034652.db2.gz FSFHXEPVWHLMKB-QGZVFWFLSA-N 1 2 371.412 2.595 20 30 FFEDLO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2ccc(C#N)c(F)c2)n1 ZINC000594582044 520037388 /nfs/dbraw/zinc/03/73/88/520037388.db2.gz DISJVXOIELBBKE-UHFFFAOYSA-N 1 2 368.459 2.796 20 30 FFEDLO Cc1nc(C[N@@H+]2CCCN(c3ncc4c(c3C#N)CCC4)CC2)oc1C ZINC000591819613 520051351 /nfs/dbraw/zinc/05/13/51/520051351.db2.gz UWKBSAZDVWEDFH-UHFFFAOYSA-N 1 2 351.454 2.759 20 30 FFEDLO Cc1nc(C[N@H+]2CCCN(c3ncc4c(c3C#N)CCC4)CC2)oc1C ZINC000591819613 520051356 /nfs/dbraw/zinc/05/13/56/520051356.db2.gz UWKBSAZDVWEDFH-UHFFFAOYSA-N 1 2 351.454 2.759 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccnc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000603127638 520094467 /nfs/dbraw/zinc/09/44/67/520094467.db2.gz USJDMJZSCDPCED-SJORKVTESA-N 1 2 357.364 2.798 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccnc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000603127638 520094475 /nfs/dbraw/zinc/09/44/75/520094475.db2.gz USJDMJZSCDPCED-SJORKVTESA-N 1 2 357.364 2.798 20 30 FFEDLO CC(C)C[C@@H](C#N)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000608824295 520138230 /nfs/dbraw/zinc/13/82/30/520138230.db2.gz MVOVCERNCWFCMX-KRWDZBQOSA-N 1 2 353.426 2.580 20 30 FFEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2nccnc2C#N)CC1 ZINC000608830405 520140190 /nfs/dbraw/zinc/14/01/90/520140190.db2.gz UJOHQYZWDBPCBK-ZDUSSCGKSA-N 1 2 350.451 2.841 20 30 FFEDLO CC(C)(C#N)c1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ncon3)C2)cc1 ZINC000597640459 520150541 /nfs/dbraw/zinc/15/05/41/520150541.db2.gz KSAWKWJNMKTHNU-OAHLLOKOSA-N 1 2 367.453 2.513 20 30 FFEDLO CC(C)(C#N)c1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ncon3)C2)cc1 ZINC000597640459 520150551 /nfs/dbraw/zinc/15/05/51/520150551.db2.gz KSAWKWJNMKTHNU-OAHLLOKOSA-N 1 2 367.453 2.513 20 30 FFEDLO N#Cc1cnccc1SCC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000594908887 520214223 /nfs/dbraw/zinc/21/42/23/520214223.db2.gz NQUXVFUBZJGYSY-UHFFFAOYSA-N 1 2 359.480 2.736 20 30 FFEDLO COc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)cc1C#N ZINC000592142327 520219439 /nfs/dbraw/zinc/21/94/39/520219439.db2.gz QZZACRLPCSVYLL-FQEVSTJZSA-N 1 2 361.445 2.772 20 30 FFEDLO COc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)cc1C#N ZINC000592142327 520219447 /nfs/dbraw/zinc/21/94/47/520219447.db2.gz QZZACRLPCSVYLL-FQEVSTJZSA-N 1 2 361.445 2.772 20 30 FFEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000609178374 520220598 /nfs/dbraw/zinc/22/05/98/520220598.db2.gz UZJOFSGEEJLZGR-INIZCTEOSA-N 1 2 365.433 2.801 20 30 FFEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000609178374 520220602 /nfs/dbraw/zinc/22/06/02/520220602.db2.gz UZJOFSGEEJLZGR-INIZCTEOSA-N 1 2 365.433 2.801 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000592149291 520227346 /nfs/dbraw/zinc/22/73/46/520227346.db2.gz MJMWTYFUMPWTKY-WOJBJXKFSA-N 1 2 359.445 2.524 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000592149291 520227350 /nfs/dbraw/zinc/22/73/50/520227350.db2.gz MJMWTYFUMPWTKY-WOJBJXKFSA-N 1 2 359.445 2.524 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(Br)ccc2OC(F)F)C1 ZINC000592150974 520228489 /nfs/dbraw/zinc/22/84/89/520228489.db2.gz LGPXKCNLQBFLHH-CQSZACIVSA-N 1 2 361.186 2.901 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(Br)ccc2OC(F)F)C1 ZINC000592150974 520228497 /nfs/dbraw/zinc/22/84/97/520228497.db2.gz LGPXKCNLQBFLHH-CQSZACIVSA-N 1 2 361.186 2.901 20 30 FFEDLO COCCOCc1cc(C#N)ccc1N1CCN(c2c[nH+]ccc2C)CC1 ZINC000603368171 520235292 /nfs/dbraw/zinc/23/52/92/520235292.db2.gz QYVSHRJTMNQKOD-UHFFFAOYSA-N 1 2 366.465 2.751 20 30 FFEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)c(F)c1 ZINC000609253833 520246050 /nfs/dbraw/zinc/24/60/50/520246050.db2.gz MMBVVDIZZRYDHW-UHFFFAOYSA-N 1 2 358.442 2.786 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000609484296 520327194 /nfs/dbraw/zinc/32/71/94/520327194.db2.gz ACCUHJGUOSQOLO-PXNSSMCTSA-N 1 2 354.498 2.520 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)NCC3(C#N)CCCCC3)c[nH+]2)CCO1 ZINC000595455338 520481905 /nfs/dbraw/zinc/48/19/05/520481905.db2.gz MMXSTTFMGMIXDU-MRXNPFEDSA-N 1 2 371.485 2.580 20 30 FFEDLO CC(C)n1cc(C2=CCC[N@H+](CC(=O)Nc3sccc3C#N)CC2)nn1 ZINC000595516064 520524007 /nfs/dbraw/zinc/52/40/07/520524007.db2.gz PJQRFWQHEVZIHU-UHFFFAOYSA-N 1 2 370.482 2.910 20 30 FFEDLO CC(C)n1cc(C2=CCC[N@@H+](CC(=O)Nc3sccc3C#N)CC2)nn1 ZINC000595516064 520524015 /nfs/dbraw/zinc/52/40/15/520524015.db2.gz PJQRFWQHEVZIHU-UHFFFAOYSA-N 1 2 370.482 2.910 20 30 FFEDLO C[C@]1(C#N)CCN(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)C1 ZINC000595538152 520535134 /nfs/dbraw/zinc/53/51/34/520535134.db2.gz MSTOLDVAPHRDIX-HXUWFJFHSA-N 1 2 351.454 2.961 20 30 FFEDLO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595610296 520589593 /nfs/dbraw/zinc/58/95/93/520589593.db2.gz VVWHGPSXFAXQAB-INIZCTEOSA-N 1 2 356.470 2.733 20 30 FFEDLO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595610296 520589595 /nfs/dbraw/zinc/58/95/95/520589595.db2.gz VVWHGPSXFAXQAB-INIZCTEOSA-N 1 2 356.470 2.733 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595614232 520595511 /nfs/dbraw/zinc/59/55/11/520595511.db2.gz JRXDZUGSQIIFPJ-MAUKXSAKSA-N 1 2 371.481 2.688 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595614232 520595515 /nfs/dbraw/zinc/59/55/15/520595515.db2.gz JRXDZUGSQIIFPJ-MAUKXSAKSA-N 1 2 371.481 2.688 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc1F ZINC000595632206 520609282 /nfs/dbraw/zinc/60/92/82/520609282.db2.gz VTMKQWWUDDVCER-UHFFFAOYSA-N 1 2 359.426 2.868 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000610304436 520630068 /nfs/dbraw/zinc/63/00/68/520630068.db2.gz DQVBSSVGYXTXJS-LJQANCHMSA-N 1 2 360.417 2.771 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNc3ncc(C#N)c4ccsc43)c[nH+]2)CCO1 ZINC000601104576 520638650 /nfs/dbraw/zinc/63/86/50/520638650.db2.gz AWUQNKWFPIIPHA-CYBMUJFWSA-N 1 2 365.462 2.822 20 30 FFEDLO Cc1cccn2cc(CCNS(=O)(=O)c3ccc(C#N)c(Cl)c3)[nH+]c12 ZINC000610471120 520703719 /nfs/dbraw/zinc/70/37/19/520703719.db2.gz BSCNCBYUAJHSOC-UHFFFAOYSA-N 1 2 374.853 2.689 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](CC)OC[C@H]2C)cc1 ZINC000593063826 520717917 /nfs/dbraw/zinc/71/79/17/520717917.db2.gz OTARZXPWAMHODD-AEFFLSMTSA-N 1 2 359.470 2.831 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](CC)OC[C@H]2C)cc1 ZINC000593063826 520717921 /nfs/dbraw/zinc/71/79/21/520717921.db2.gz OTARZXPWAMHODD-AEFFLSMTSA-N 1 2 359.470 2.831 20 30 FFEDLO CCCC(=O)NC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000610542533 520731918 /nfs/dbraw/zinc/73/19/18/520731918.db2.gz KRHRRCUARBSWNK-UHFFFAOYSA-N 1 2 362.499 2.556 20 30 FFEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000598598700 520733546 /nfs/dbraw/zinc/73/35/46/520733546.db2.gz IXTVWCABESHDAW-GOEBONIOSA-N 1 2 354.397 2.962 20 30 FFEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000598598700 520733552 /nfs/dbraw/zinc/73/35/52/520733552.db2.gz IXTVWCABESHDAW-GOEBONIOSA-N 1 2 354.397 2.962 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595828231 520751107 /nfs/dbraw/zinc/75/11/07/520751107.db2.gz JDQVMQLZVPJJOY-CYBMUJFWSA-N 1 2 362.271 2.765 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595828231 520751115 /nfs/dbraw/zinc/75/11/15/520751115.db2.gz JDQVMQLZVPJJOY-CYBMUJFWSA-N 1 2 362.271 2.765 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)c1C#N ZINC000595849049 520764833 /nfs/dbraw/zinc/76/48/33/520764833.db2.gz DVIOYIRBALPOAQ-KRWDZBQOSA-N 1 2 365.481 2.789 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)c1C#N ZINC000595849049 520764840 /nfs/dbraw/zinc/76/48/40/520764840.db2.gz DVIOYIRBALPOAQ-KRWDZBQOSA-N 1 2 365.481 2.789 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@]1(C)CO ZINC000595869417 520778571 /nfs/dbraw/zinc/77/85/71/520778571.db2.gz CXKQCUGYRWNMPU-BFUOFWGJSA-N 1 2 361.511 2.777 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@]1(C)CO ZINC000595869417 520778583 /nfs/dbraw/zinc/77/85/83/520778583.db2.gz CXKQCUGYRWNMPU-BFUOFWGJSA-N 1 2 361.511 2.777 20 30 FFEDLO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1F)C(=O)N(CCC#N)c1ccccc1 ZINC000595868704 520778952 /nfs/dbraw/zinc/77/89/52/520778952.db2.gz YOPNAZKXAOIDON-AUUYWEPGSA-N 1 2 373.403 2.923 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cc(Cl)ccc1Br ZINC000593154378 520785038 /nfs/dbraw/zinc/78/50/38/520785038.db2.gz KQAXDZWGWHTXPJ-AWEZNQCLSA-N 1 2 358.667 2.605 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000593155638 520785078 /nfs/dbraw/zinc/78/50/78/520785078.db2.gz MUECHFJOJVVNLT-NRFANRHFSA-N 1 2 365.481 2.850 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1 ZINC000610675748 520793216 /nfs/dbraw/zinc/79/32/16/520793216.db2.gz VXKCZTSHNINUFS-YZGWKJHDSA-N 1 2 354.498 2.564 20 30 FFEDLO C[C@H]1C[C@H](NC(=O)Cc2ccc(Br)cc2C#N)c2[nH+]ccn21 ZINC000593169199 520794841 /nfs/dbraw/zinc/79/48/41/520794841.db2.gz OCBGKSFCBPYXQJ-HZMBPMFUSA-N 1 2 359.227 2.882 20 30 FFEDLO N#CCCCCS(=O)(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000601456943 520794946 /nfs/dbraw/zinc/79/49/46/520794946.db2.gz DBJPTXIBCQBDFU-UHFFFAOYSA-N 1 2 360.483 2.841 20 30 FFEDLO CC1CCN(c2ccc(CNC(=O)c3cc(O)cc(C#N)c3)c[nH+]2)CC1 ZINC000614296881 520896765 /nfs/dbraw/zinc/89/67/65/520896765.db2.gz WHDPYTWCMAIVLC-UHFFFAOYSA-N 1 2 350.422 2.825 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3[C@@H]4c5ccccc5C[C@H]34)CC2)cc1 ZINC000598977623 520955407 /nfs/dbraw/zinc/95/54/07/520955407.db2.gz NQRCNAWVOWRMJO-BHDDXSALSA-N 1 2 357.457 2.788 20 30 FFEDLO CN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)[C@H]1CCC[C@@H]1C#N ZINC000601813081 520964107 /nfs/dbraw/zinc/96/41/07/520964107.db2.gz UHXZSHCHXKFFFP-AEFFLSMTSA-N 1 2 365.437 2.676 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCN(CCC#N)CC1 ZINC000611175691 521023969 /nfs/dbraw/zinc/02/39/69/521023969.db2.gz KUJQZENGYDVZJF-ZDUSSCGKSA-N 1 2 354.376 2.564 20 30 FFEDLO Cn1cccc1C(=O)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000611253374 521058907 /nfs/dbraw/zinc/05/89/07/521058907.db2.gz FYKSTZWLSNVXRD-UHFFFAOYSA-N 1 2 366.465 2.666 20 30 FFEDLO CC(C)(C)c1ccc(C#N)c(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)n1 ZINC000599184910 521076631 /nfs/dbraw/zinc/07/66/31/521076631.db2.gz MNGOWQIRKDEFNS-GOSISDBHSA-N 1 2 365.481 2.959 20 30 FFEDLO CC(C)(C)c1ccc(C#N)c(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)n1 ZINC000599184910 521076638 /nfs/dbraw/zinc/07/66/38/521076638.db2.gz MNGOWQIRKDEFNS-GOSISDBHSA-N 1 2 365.481 2.959 20 30 FFEDLO Cc1ccc2ncc(C#N)c(NC[C@@H]3C[N@H+](Cc4ccncc4)CCO3)c2c1 ZINC000599185406 521077395 /nfs/dbraw/zinc/07/73/95/521077395.db2.gz SQHKLHWMJWDDCS-LJQANCHMSA-N 1 2 373.460 2.545 20 30 FFEDLO Cc1ccc2ncc(C#N)c(NC[C@@H]3C[N@@H+](Cc4ccncc4)CCO3)c2c1 ZINC000599185406 521077402 /nfs/dbraw/zinc/07/74/02/521077402.db2.gz SQHKLHWMJWDDCS-LJQANCHMSA-N 1 2 373.460 2.545 20 30 FFEDLO CN(C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1CCC[C@H]1C#N ZINC000602073992 521126247 /nfs/dbraw/zinc/12/62/47/521126247.db2.gz HSAKMZFGDQLETN-KBXCAEBGSA-N 1 2 364.405 2.963 20 30 FFEDLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNc2nc3ncccc3cc2C#N)C1 ZINC000596549970 521127313 /nfs/dbraw/zinc/12/73/13/521127313.db2.gz CJMAXFRMIPFXMA-HXUWFJFHSA-N 1 2 372.476 2.730 20 30 FFEDLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNc2nc3ncccc3cc2C#N)C1 ZINC000596549970 521127318 /nfs/dbraw/zinc/12/73/18/521127318.db2.gz CJMAXFRMIPFXMA-HXUWFJFHSA-N 1 2 372.476 2.730 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000602096982 521139716 /nfs/dbraw/zinc/13/97/16/521139716.db2.gz OXWOOCUEYMYEAA-UPJWGTAASA-N 1 2 350.300 2.793 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc(OC(F)(F)F)cc1 ZINC000602096982 521139722 /nfs/dbraw/zinc/13/97/22/521139722.db2.gz OXWOOCUEYMYEAA-UPJWGTAASA-N 1 2 350.300 2.793 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)c(C#N)c1C ZINC000596598819 521157333 /nfs/dbraw/zinc/15/73/33/521157333.db2.gz LMRSGUJPYBQLCE-LBPRGKRZSA-N 1 2 355.442 2.903 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)c(C#N)c1C ZINC000596598819 521157338 /nfs/dbraw/zinc/15/73/38/521157338.db2.gz LMRSGUJPYBQLCE-LBPRGKRZSA-N 1 2 355.442 2.903 20 30 FFEDLO CNc1ccc(C#N)cc1NC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000602140586 521167558 /nfs/dbraw/zinc/16/75/58/521167558.db2.gz FWDFKRWHTDLYPT-IBGZPJMESA-N 1 2 350.422 2.822 20 30 FFEDLO CNc1ccc(C#N)cc1NC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000602140586 521167566 /nfs/dbraw/zinc/16/75/66/521167566.db2.gz FWDFKRWHTDLYPT-IBGZPJMESA-N 1 2 350.422 2.822 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@](OC)(C(F)(F)F)C2)c1C#N ZINC000614924915 521195842 /nfs/dbraw/zinc/19/58/42/521195842.db2.gz PCVYUDRJEMZYQG-INIZCTEOSA-N 1 2 356.344 2.888 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@](OC)(C(F)(F)F)C2)c1C#N ZINC000614924915 521195850 /nfs/dbraw/zinc/19/58/50/521195850.db2.gz PCVYUDRJEMZYQG-INIZCTEOSA-N 1 2 356.344 2.888 20 30 FFEDLO N#C[C@H](CCc1ccccc1)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000602199753 521206569 /nfs/dbraw/zinc/20/65/69/521206569.db2.gz QYZSIDPITFCYHC-NRFANRHFSA-N 1 2 362.477 2.541 20 30 FFEDLO CN(C(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CCCCC1 ZINC000611550749 521213990 /nfs/dbraw/zinc/21/39/90/521213990.db2.gz JMLKDZPKHINSLH-FQEVSTJZSA-N 1 2 372.488 2.799 20 30 FFEDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1C#N ZINC000599430848 521219375 /nfs/dbraw/zinc/21/93/75/521219375.db2.gz BBUTZMWQRHSOPK-UHFFFAOYSA-N 1 2 364.405 2.733 20 30 FFEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000618812693 521248267 /nfs/dbraw/zinc/24/82/67/521248267.db2.gz GHDRTSZJIAQQFA-CQSZACIVSA-N 1 2 363.343 2.804 20 30 FFEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000618850038 521263025 /nfs/dbraw/zinc/26/30/25/521263025.db2.gz FIUVZJNBOVZWAQ-HXUWFJFHSA-N 1 2 371.444 2.927 20 30 FFEDLO COC(=O)[C@@]1([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCCC(C)(C)C1 ZINC000599559866 521299953 /nfs/dbraw/zinc/29/99/53/521299953.db2.gz XITLTBKMKRNFSO-LAUBAEHRSA-N 1 2 374.481 2.594 20 30 FFEDLO C[C@H](CCC#N)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000602431963 521341878 /nfs/dbraw/zinc/34/18/78/521341878.db2.gz HDMJQWNPXNABEQ-GFCCVEGCSA-N 1 2 361.920 2.648 20 30 FFEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)[C@H](C)CO1 ZINC000596927696 521387332 /nfs/dbraw/zinc/38/73/32/521387332.db2.gz LADGYHUVDUQHLL-HUUCEWRRSA-N 1 2 374.485 2.966 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)[C@H](C)CO1 ZINC000596927696 521387336 /nfs/dbraw/zinc/38/73/36/521387336.db2.gz LADGYHUVDUQHLL-HUUCEWRRSA-N 1 2 374.485 2.966 20 30 FFEDLO Cc1cccc(OCCNC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599686088 521400059 /nfs/dbraw/zinc/40/00/59/521400059.db2.gz MSZLQZFIRWNHJN-UHFFFAOYSA-N 1 2 363.461 2.614 20 30 FFEDLO Cc1cccc(OCCNC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599686088 521400067 /nfs/dbraw/zinc/40/00/67/521400067.db2.gz MSZLQZFIRWNHJN-UHFFFAOYSA-N 1 2 363.461 2.614 20 30 FFEDLO N#CC1(c2ccc(C[NH+]3CCN(C(=O)c4ccccc4O)CC3)cc2)CC1 ZINC000596986142 521424238 /nfs/dbraw/zinc/42/42/38/521424238.db2.gz KRJKJLUZUVAAPL-UHFFFAOYSA-N 1 2 361.445 2.905 20 30 FFEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000599725900 521429926 /nfs/dbraw/zinc/42/99/26/521429926.db2.gz JZBVRBOVIMDLKN-QGZVFWFLSA-N 1 2 366.421 2.803 20 30 FFEDLO C[N@H+]1CCOC[C@H]1CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000599725900 521429934 /nfs/dbraw/zinc/42/99/34/521429934.db2.gz JZBVRBOVIMDLKN-QGZVFWFLSA-N 1 2 366.421 2.803 20 30 FFEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000599736083 521438367 /nfs/dbraw/zinc/43/83/67/521438367.db2.gz DJZQKLCFJVKZIF-QGZVFWFLSA-N 1 2 366.421 2.803 20 30 FFEDLO C[N@H+]1CCOC[C@H]1CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000599736083 521438373 /nfs/dbraw/zinc/43/83/73/521438373.db2.gz DJZQKLCFJVKZIF-QGZVFWFLSA-N 1 2 366.421 2.803 20 30 FFEDLO Cc1ccc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)nc1C#N ZINC000615702371 521507299 /nfs/dbraw/zinc/50/72/99/521507299.db2.gz CFAIDWMJZHXEFB-SFHVURJKSA-N 1 2 356.857 2.771 20 30 FFEDLO C[C@]1(C#N)CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000612161708 521512306 /nfs/dbraw/zinc/51/23/06/521512306.db2.gz HYMSRJXBPQGPPQ-GOEBONIOSA-N 1 2 353.260 2.814 20 30 FFEDLO C[C@]1(C#N)CCC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000612161708 521512311 /nfs/dbraw/zinc/51/23/11/521512311.db2.gz HYMSRJXBPQGPPQ-GOEBONIOSA-N 1 2 353.260 2.814 20 30 FFEDLO C[C@]1(C#N)CCC[N@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000612162633 521513448 /nfs/dbraw/zinc/51/34/48/521513448.db2.gz IZCLUFYXKUTXPN-LAUBAEHRSA-N 1 2 369.465 2.747 20 30 FFEDLO C[C@]1(C#N)CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000612162633 521513458 /nfs/dbraw/zinc/51/34/58/521513458.db2.gz IZCLUFYXKUTXPN-LAUBAEHRSA-N 1 2 369.465 2.747 20 30 FFEDLO COc1ccc(C[NH+]2CCN(CCC#N)CC2)cc1OCc1cccnc1 ZINC000602752273 521514760 /nfs/dbraw/zinc/51/47/60/521514760.db2.gz XAFPBQNUADNFIY-UHFFFAOYSA-N 1 2 366.465 2.700 20 30 FFEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000602819496 521550704 /nfs/dbraw/zinc/55/07/04/521550704.db2.gz DENQNYVQLSFACW-MOPGFXCFSA-N 1 2 372.900 2.676 20 30 FFEDLO Cc1cccn2cc(CCNC(=O)c3ccn(-c4cccc(C#N)c4)n3)[nH+]c12 ZINC000619595824 521788560 /nfs/dbraw/zinc/78/85/60/521788560.db2.gz QNAGUAOBAIPADE-UHFFFAOYSA-N 1 2 370.416 2.673 20 30 FFEDLO COc1cc2nc(NCc3ccc(C#N)c(Cl)c3)[nH+]c(N)c2cc1OC ZINC000619746519 521852630 /nfs/dbraw/zinc/85/26/30/521852630.db2.gz ANMCGKFGEDUAGC-UHFFFAOYSA-N 1 2 369.812 2.619 20 30 FFEDLO N#Cc1ccc(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000619755401 521856185 /nfs/dbraw/zinc/85/61/85/521856185.db2.gz ICEFISVODMMUIA-UHFFFAOYSA-N 1 2 357.845 2.786 20 30 FFEDLO C=CCOc1ccccc1C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636296344 522893479 /nfs/dbraw/zinc/89/34/79/522893479.db2.gz MWVWLDKMYDAZML-UHFFFAOYSA-N 1 2 351.450 2.647 20 30 FFEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1CC#Cc1cccc(Cl)c1 ZINC000625496388 523481258 /nfs/dbraw/zinc/48/12/58/523481258.db2.gz PFQVSGYVCYLEPW-IBGZPJMESA-N 1 2 351.841 2.796 20 30 FFEDLO COc1ccc([C@H](CNc2ccc(C#N)c(C)n2)[NH+]2CCOCC2)cc1 ZINC000487928476 561379032 /nfs/dbraw/zinc/37/90/32/561379032.db2.gz APKBQWMPMWBDIT-IBGZPJMESA-N 1 2 352.438 2.756 20 30 FFEDLO Cn1cc[nH+]c1CN1CCC[C@@H](Nc2ncc(C#N)c3ccsc32)C1=O ZINC000601142379 553352140 /nfs/dbraw/zinc/35/21/40/553352140.db2.gz ZOXZEQWVZRKSMU-CQSZACIVSA-N 1 2 366.450 2.505 20 30 FFEDLO C=C(C)C[N@@H+](C)CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000823878263 609370762 /nfs/dbraw/zinc/37/07/62/609370762.db2.gz UJCWVDQRNIRTCT-UHFFFAOYSA-N 1 2 360.487 2.644 20 30 FFEDLO C=C(C)C[N@H+](C)CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000823878263 609370763 /nfs/dbraw/zinc/37/07/63/609370763.db2.gz UJCWVDQRNIRTCT-UHFFFAOYSA-N 1 2 360.487 2.644 20 30 FFEDLO Cc1cc(C(N)=[NH+]OCC(=O)N(CC(C)C)CC(F)(F)F)ccc1F ZINC000151296603 728744911 /nfs/dbraw/zinc/74/49/11/728744911.db2.gz POEPNHDHQDGWIR-UHFFFAOYSA-N 1 2 363.355 2.818 20 30 FFEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccc(C)cc3)n(CC)c2=S)CC1 ZINC000151746925 728746686 /nfs/dbraw/zinc/74/66/86/728746686.db2.gz XLQYCNAVDSMXSB-UHFFFAOYSA-N 1 2 355.511 2.618 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCSC(F)(F)F)CC1=O ZINC000179230111 729180757 /nfs/dbraw/zinc/18/07/57/729180757.db2.gz QXRLKGGOJYJPKW-UHFFFAOYSA-N 1 2 370.400 2.899 20 30 FFEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1nc2c(s1)CCCC2(C)C ZINC000329511031 729797921 /nfs/dbraw/zinc/79/79/21/729797921.db2.gz KILRRGSDBCFYQD-ZDUSSCGKSA-N 1 2 365.547 2.719 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nn1 ZINC000640781043 730175635 /nfs/dbraw/zinc/17/56/35/730175635.db2.gz CZHMZGHEOHEYKB-LLVKDONJSA-N 1 2 366.252 2.898 20 30 FFEDLO C=C[C@H](O)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000646639323 730676931 /nfs/dbraw/zinc/67/69/31/730676931.db2.gz GYERDRJUEKUGEG-KRWDZBQOSA-N 1 2 360.454 2.745 20 30 FFEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000870332509 731498108 /nfs/dbraw/zinc/49/81/08/731498108.db2.gz XRLOQAVLSNHETI-CHWSQXEVSA-N 1 2 364.845 2.609 20 30 FFEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000870332509 731498111 /nfs/dbraw/zinc/49/81/11/731498111.db2.gz XRLOQAVLSNHETI-CHWSQXEVSA-N 1 2 364.845 2.609 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2ccc(F)c(Br)c2)nn1 ZINC000656461092 731580806 /nfs/dbraw/zinc/58/08/06/731580806.db2.gz QJEVRLBUAKJKTF-LLVKDONJSA-N 1 2 351.223 2.902 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)nn1 ZINC000657422266 731778698 /nfs/dbraw/zinc/77/86/98/731778698.db2.gz VCQSQWIUPPTDCD-MRXNPFEDSA-N 1 2 363.824 2.542 20 30 FFEDLO C=CCCNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000661019038 732162935 /nfs/dbraw/zinc/16/29/35/732162935.db2.gz YKJZMNWCPOEIPB-UHFFFAOYSA-N 1 2 351.248 2.823 20 30 FFEDLO C[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cscn1 ZINC000661416122 732201469 /nfs/dbraw/zinc/20/14/69/732201469.db2.gz DFNGQTATYGPNST-GFCCVEGCSA-N 1 2 367.396 2.980 20 30 FFEDLO C=C[C@H]1CCCCN1C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000876122408 732217277 /nfs/dbraw/zinc/21/72/77/732217277.db2.gz NMTKROBVUMOINN-INIZCTEOSA-N 1 2 351.491 2.543 20 30 FFEDLO CCCC[C@@H](ON=C(C)C)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000780980450 738591943 /nfs/dbraw/zinc/59/19/43/738591943.db2.gz KIHQJKGEXYESFH-ZWKOTPCHSA-N 1 2 353.507 2.671 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)ccc1OC ZINC000877789830 732432029 /nfs/dbraw/zinc/43/20/29/732432029.db2.gz CSQXCOYOGGDCEC-DLBZAZTESA-N 1 2 365.495 2.517 20 30 FFEDLO C=C(C)COc1cc(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)ccc1OC ZINC000877789830 732432030 /nfs/dbraw/zinc/43/20/30/732432030.db2.gz CSQXCOYOGGDCEC-DLBZAZTESA-N 1 2 365.495 2.517 20 30 FFEDLO Cn1ccc(-c2nc(C[N@H+](C)C[C@@H](O)c3cccc(C#N)c3)cs2)n1 ZINC000878802120 732596541 /nfs/dbraw/zinc/59/65/41/732596541.db2.gz BEPBCZJLGWKPNT-QGZVFWFLSA-N 1 2 353.451 2.581 20 30 FFEDLO Cn1ccc(-c2nc(C[N@@H+](C)C[C@@H](O)c3cccc(C#N)c3)cs2)n1 ZINC000878802120 732596544 /nfs/dbraw/zinc/59/65/44/732596544.db2.gz BEPBCZJLGWKPNT-QGZVFWFLSA-N 1 2 353.451 2.581 20 30 FFEDLO Cc1csc([C@@H]2CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)n1 ZINC000880008289 732818896 /nfs/dbraw/zinc/81/88/96/732818896.db2.gz RZBFLYLCVFRWDO-OAHLLOKOSA-N 1 2 361.492 2.586 20 30 FFEDLO Cc1csc([C@@H]2CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)n1 ZINC000880008289 732818899 /nfs/dbraw/zinc/81/88/99/732818899.db2.gz RZBFLYLCVFRWDO-OAHLLOKOSA-N 1 2 361.492 2.586 20 30 FFEDLO C#CCC1(O)CC[NH+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)CC1 ZINC000880477434 732913071 /nfs/dbraw/zinc/91/30/71/732913071.db2.gz QPUBBPWVEMLHLD-MRXNPFEDSA-N 1 2 358.507 2.754 20 30 FFEDLO CCS(=O)(=O)c1ccccc1CC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000926911463 738668077 /nfs/dbraw/zinc/66/80/77/738668077.db2.gz NREFSFBSBFRLKD-CQSZACIVSA-N 1 2 358.463 2.951 20 30 FFEDLO CSc1ccc(CNC(=O)NCCCNc2cccc[nH+]2)cc1C#N ZINC000884158070 733487929 /nfs/dbraw/zinc/48/79/29/733487929.db2.gz QVQCADIERKCNTO-UHFFFAOYSA-N 1 2 355.467 2.977 20 30 FFEDLO C[NH+](C)c1ccc(N2CCC(=NNC(=S)NCC(F)(F)F)CC2)cc1 ZINC000741460501 735144668 /nfs/dbraw/zinc/14/46/68/735144668.db2.gz PUJQVUOZLRUWMA-UHFFFAOYSA-N 1 2 373.448 2.735 20 30 FFEDLO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1cccc(C#N)c1O ZINC000903481301 736100154 /nfs/dbraw/zinc/10/01/54/736100154.db2.gz YTAAZSIWUBQSQM-ZYHUDNBSSA-N 1 2 361.243 2.888 20 30 FFEDLO Cn1ccnc1C[NH+]1CCC(C(=O)N(O)Cc2ccccc2Cl)CC1 ZINC000904189031 736231912 /nfs/dbraw/zinc/23/19/12/736231912.db2.gz XBBOGXDGLOQZHL-UHFFFAOYSA-N 1 2 362.861 2.704 20 30 FFEDLO C#CCCC[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000766895533 737272541 /nfs/dbraw/zinc/27/25/41/737272541.db2.gz PUMRPXNAUFPHSE-UHFFFAOYSA-N 1 2 361.294 2.713 20 30 FFEDLO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cn1nc(CC#N)n(C)c1=S ZINC000794621831 739911733 /nfs/dbraw/zinc/91/17/33/739911733.db2.gz VRUTWZUVGZBUQC-UHFFFAOYSA-N 1 2 358.515 2.951 20 30 FFEDLO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cn1nc(CC#N)n(C)c1=S ZINC000794621831 739911734 /nfs/dbraw/zinc/91/17/34/739911734.db2.gz VRUTWZUVGZBUQC-UHFFFAOYSA-N 1 2 358.515 2.951 20 30 FFEDLO CCc1ccc(N2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)cc1Cl ZINC000796142170 740106916 /nfs/dbraw/zinc/10/69/16/740106916.db2.gz ZVSCZFNLLAFEGJ-OAHLLOKOSA-N 1 2 362.905 2.785 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](CCc2csc(C)n2)C1 ZINC000950353236 740399533 /nfs/dbraw/zinc/39/95/33/740399533.db2.gz MHIPTURGMCBTPX-MSOLQXFVSA-N 1 2 363.527 2.508 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](CCc2csc(C)n2)CC1 ZINC000951584360 740441148 /nfs/dbraw/zinc/44/11/48/740441148.db2.gz GXOFGMWPGSEDLQ-ROUUACIJSA-N 1 2 363.527 2.510 20 30 FFEDLO CCCCCCCS(=O)(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000799766643 740448967 /nfs/dbraw/zinc/44/89/67/740448967.db2.gz PQZKAKTVAQKYGJ-FGTMMUONSA-N 1 2 360.564 2.860 20 30 FFEDLO CCCCCCCS(=O)(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000799766643 740448970 /nfs/dbraw/zinc/44/89/70/740448970.db2.gz PQZKAKTVAQKYGJ-FGTMMUONSA-N 1 2 360.564 2.860 20 30 FFEDLO C#CCCN(CC(F)(F)F)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000799798879 740453204 /nfs/dbraw/zinc/45/32/04/740453204.db2.gz CTVMJWYZDMYECU-UHFFFAOYSA-N 1 2 371.384 2.508 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1csc(C)n1 ZINC000960640154 740620495 /nfs/dbraw/zinc/62/04/95/740620495.db2.gz AHRGIEAZEDKRAC-KURKYZTESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1csc(C)n1 ZINC000960640154 740620497 /nfs/dbraw/zinc/62/04/97/740620497.db2.gz AHRGIEAZEDKRAC-KURKYZTESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC000969690404 740736882 /nfs/dbraw/zinc/73/68/82/740736882.db2.gz OIWMTBVFAFUBAZ-KFKAGJAMSA-N 1 2 362.901 2.996 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccncc2Cl)C1 ZINC000972529002 740834380 /nfs/dbraw/zinc/83/43/80/740834380.db2.gz FSWBPCHPNXZYSV-BQFCYCMXSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccncc2Cl)C1 ZINC000972529002 740834386 /nfs/dbraw/zinc/83/43/86/740834386.db2.gz FSWBPCHPNXZYSV-BQFCYCMXSA-N 1 2 363.889 2.749 20 30 FFEDLO C#C[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000805137969 740944458 /nfs/dbraw/zinc/94/44/58/740944458.db2.gz WFIOFGPWGIPFNM-XNJGSVPQSA-N 1 2 367.852 2.562 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3OCC[C@H]3CC)CCC[C@H]12 ZINC000991141158 741731298 /nfs/dbraw/zinc/73/12/98/741731298.db2.gz DKNJCHHHIQUHCO-WBTNSWJXSA-N 1 2 371.319 2.823 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@]2(NC(=O)[C@H]3OCC[C@H]3CC)CCC[C@H]12 ZINC000991141158 741731299 /nfs/dbraw/zinc/73/12/99/741731299.db2.gz DKNJCHHHIQUHCO-WBTNSWJXSA-N 1 2 371.319 2.823 20 30 FFEDLO C#CCNC(=O)CC[N@@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000815092963 741899603 /nfs/dbraw/zinc/89/96/03/741899603.db2.gz XQHJSKYBBDKKPB-UHFFFAOYSA-N 1 2 355.663 2.600 20 30 FFEDLO C#CCNC(=O)CC[N@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000815092963 741899608 /nfs/dbraw/zinc/89/96/08/741899608.db2.gz XQHJSKYBBDKKPB-UHFFFAOYSA-N 1 2 355.663 2.600 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001003779255 742215531 /nfs/dbraw/zinc/21/55/31/742215531.db2.gz CHHDDVIMEIFBHJ-GJZGRUSLSA-N 1 2 369.918 2.858 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001007523872 742338864 /nfs/dbraw/zinc/33/88/64/742338864.db2.gz DTLBZUKIJINSPT-ZACQAIPSSA-N 1 2 367.921 2.501 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001007523872 742338869 /nfs/dbraw/zinc/33/88/69/742338869.db2.gz DTLBZUKIJINSPT-ZACQAIPSSA-N 1 2 367.921 2.501 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001014456484 742467227 /nfs/dbraw/zinc/46/72/27/742467227.db2.gz CSNCFKBHGIVFQV-JZXOWHBKSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001014456484 742467229 /nfs/dbraw/zinc/46/72/29/742467229.db2.gz CSNCFKBHGIVFQV-JZXOWHBKSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C(C)C(C)(C)C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000821439386 742628100 /nfs/dbraw/zinc/62/81/00/742628100.db2.gz HHIOCFFBIFCIMY-UHFFFAOYSA-N 1 2 350.484 2.538 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000821482476 742634276 /nfs/dbraw/zinc/63/42/76/742634276.db2.gz TWUKQSDNYCOOPK-LBPRGKRZSA-N 1 2 350.488 2.759 20 30 FFEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001027449648 742770344 /nfs/dbraw/zinc/77/03/44/742770344.db2.gz FJNMPHVRWNZOJS-ILXRZTDVSA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001027449648 742770346 /nfs/dbraw/zinc/77/03/46/742770346.db2.gz FJNMPHVRWNZOJS-ILXRZTDVSA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001028188581 742788369 /nfs/dbraw/zinc/78/83/69/742788369.db2.gz DNAUOSSZDCVJEJ-PMPSAXMXSA-N 1 2 371.319 2.847 20 30 FFEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001028188581 742788372 /nfs/dbraw/zinc/78/83/72/742788372.db2.gz DNAUOSSZDCVJEJ-PMPSAXMXSA-N 1 2 371.319 2.847 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001031865952 742851761 /nfs/dbraw/zinc/85/17/61/742851761.db2.gz LXJHHNCFQGXEOE-MOPGFXCFSA-N 1 2 360.885 2.555 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824541718 743101655 /nfs/dbraw/zinc/10/16/55/743101655.db2.gz HHNYHCDTCRFEHS-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2csc(CC)n2)CC1 ZINC001045563926 743287831 /nfs/dbraw/zinc/28/78/31/743287831.db2.gz RFDNJLDNYDZPHC-CVEARBPZSA-N 1 2 363.527 2.767 20 30 FFEDLO CCCCCCCCOCC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000827456022 743580139 /nfs/dbraw/zinc/58/01/39/743580139.db2.gz HMSOWMZGIJYNFG-UHFFFAOYSA-N 1 2 353.551 2.602 20 30 FFEDLO CCCCCCCCCS(=O)(=O)Nc1ncnn1-c1cc[nH+]cc1 ZINC000844827693 748109921 /nfs/dbraw/zinc/10/99/21/748109921.db2.gz DEPDZKKCXCFDPA-UHFFFAOYSA-N 1 2 351.476 2.577 20 30 FFEDLO Cc1ccccc1C(N)=[NH+]OCCCS(=O)(=O)c1ccc(F)cc1 ZINC000148664254 845666363 /nfs/dbraw/zinc/66/63/63/845666363.db2.gz BNEXLTKUNLSRIV-UHFFFAOYSA-N 1 2 350.415 2.635 20 30 FFEDLO O=C(C(F)C(F)(F)F)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1 ZINC001087972948 971414281 /nfs/dbraw/zinc/41/42/81/971414281.db2.gz CVYMXUYXFAQRJI-IXDOHACOSA-N 1 2 368.374 2.719 20 30 FFEDLO O=C(C(F)C(F)(F)F)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)CC[C@@H]2C1 ZINC001087972948 971414284 /nfs/dbraw/zinc/41/42/84/971414284.db2.gz CVYMXUYXFAQRJI-IXDOHACOSA-N 1 2 368.374 2.719 20 30 FFEDLO O=C([C@@H](F)C(F)(F)F)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1 ZINC001087972948 971414288 /nfs/dbraw/zinc/41/42/88/971414288.db2.gz CVYMXUYXFAQRJI-IXDOHACOSA-N 1 2 368.374 2.719 20 30 FFEDLO O=C([C@@H](F)C(F)(F)F)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)CC[C@@H]2C1 ZINC001087972948 971414290 /nfs/dbraw/zinc/41/42/90/971414290.db2.gz CVYMXUYXFAQRJI-IXDOHACOSA-N 1 2 368.374 2.719 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 ZINC000054230609 971571982 /nfs/dbraw/zinc/57/19/82/971571982.db2.gz ZSQJGNJZRATUHY-OAHLLOKOSA-N 1 2 355.438 2.826 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc(F)c1 ZINC001029481062 971611452 /nfs/dbraw/zinc/61/14/52/971611452.db2.gz XSHSNRPJQDCPNU-HCXYKTFWSA-N 1 2 362.420 2.731 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc(F)c1 ZINC001029481062 971611457 /nfs/dbraw/zinc/61/14/57/971611457.db2.gz XSHSNRPJQDCPNU-HCXYKTFWSA-N 1 2 362.420 2.731 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141902874 971621537 /nfs/dbraw/zinc/62/15/37/971621537.db2.gz HGVBHIMDMZZTHR-BXUZGUMPSA-N 1 2 351.244 2.952 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141902874 971621541 /nfs/dbraw/zinc/62/15/41/971621541.db2.gz HGVBHIMDMZZTHR-BXUZGUMPSA-N 1 2 351.244 2.952 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3csnn3)CC[C@@H]2C1 ZINC001087992753 971735228 /nfs/dbraw/zinc/73/52/28/971735228.db2.gz KBXOKCWQGSNRSY-XHSDSOJGSA-N 1 2 371.510 2.681 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3csnn3)CC[C@@H]2C1 ZINC001087992753 971735234 /nfs/dbraw/zinc/73/52/34/971735234.db2.gz KBXOKCWQGSNRSY-XHSDSOJGSA-N 1 2 371.510 2.681 20 30 FFEDLO C[C@@H](ON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000194667523 971887183 /nfs/dbraw/zinc/88/71/83/971887183.db2.gz QUJGXKAYEDQLQJ-OXQOHEQNSA-N 1 2 364.449 2.809 20 30 FFEDLO C[C@@H](ON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000194667523 971887187 /nfs/dbraw/zinc/88/71/87/971887187.db2.gz QUJGXKAYEDQLQJ-OXQOHEQNSA-N 1 2 364.449 2.809 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1cnccn1 ZINC001029508442 972378538 /nfs/dbraw/zinc/37/85/38/972378538.db2.gz DKDYAKFEBSNQHE-JGLNRKDHSA-N 1 2 370.497 2.584 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1cnccn1 ZINC001029508442 972378545 /nfs/dbraw/zinc/37/85/45/972378545.db2.gz DKDYAKFEBSNQHE-JGLNRKDHSA-N 1 2 370.497 2.584 20 30 FFEDLO CCC[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001083186840 959383755 /nfs/dbraw/zinc/38/37/55/959383755.db2.gz NHLZUOHDQFNNSU-WSTLGDPDSA-N 1 2 371.456 2.545 20 30 FFEDLO CCC[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001083186840 959383769 /nfs/dbraw/zinc/38/37/69/959383769.db2.gz NHLZUOHDQFNNSU-WSTLGDPDSA-N 1 2 371.456 2.545 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccncc1Br ZINC001276004835 1013274398 /nfs/dbraw/zinc/27/43/98/1013274398.db2.gz YAGWSXPLXVSZML-KRWDZBQOSA-N 1 2 364.287 2.987 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccncc1Br ZINC001276004835 1013274404 /nfs/dbraw/zinc/27/44/04/1013274404.db2.gz YAGWSXPLXVSZML-KRWDZBQOSA-N 1 2 364.287 2.987 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2nc(C)c(C)o2)C1 ZINC000970558439 961694693 /nfs/dbraw/zinc/69/46/93/961694693.db2.gz CYDIRRNIYNZPKV-LJHODMEESA-N 1 2 361.486 2.599 20 30 FFEDLO COc1ccccc1[C@H](C)NC(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000121066531 961732916 /nfs/dbraw/zinc/73/29/16/961732916.db2.gz XOVKEYYQSPEIQX-ZDUSSCGKSA-N 1 2 359.401 2.657 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1Br ZINC001276024271 1013292091 /nfs/dbraw/zinc/29/20/91/1013292091.db2.gz BRTALXMYJDFQBF-HUUCEWRRSA-N 1 2 364.287 2.986 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1Br ZINC001276024271 1013292101 /nfs/dbraw/zinc/29/21/01/1013292101.db2.gz BRTALXMYJDFQBF-HUUCEWRRSA-N 1 2 364.287 2.986 20 30 FFEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1c(F)ccc(Cl)c1F)CC2 ZINC001276054785 1013376224 /nfs/dbraw/zinc/37/62/24/1013376224.db2.gz XRMDCMQBMVPOKC-CYBMUJFWSA-N 1 2 352.812 2.970 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(C2CCCC2)no1 ZINC001087136097 963099513 /nfs/dbraw/zinc/09/95/13/963099513.db2.gz KOSDTSQEFIXBBQ-YCPHGPKFSA-N 1 2 359.474 2.604 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(C)c(F)c1F)C2 ZINC001276067083 1013397397 /nfs/dbraw/zinc/39/73/97/1013397397.db2.gz JXOUKTOCZGZZCK-IBGZPJMESA-N 1 2 350.409 2.510 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(C)c(F)c1F)C2 ZINC001276067083 1013397404 /nfs/dbraw/zinc/39/74/04/1013397404.db2.gz JXOUKTOCZGZZCK-IBGZPJMESA-N 1 2 350.409 2.510 20 30 FFEDLO CCn1c[nH+]c2c1CCN(CC(=O)[C@@H](C#N)c1nc3ccccc3s1)C2 ZINC000933256635 963763300 /nfs/dbraw/zinc/76/33/00/963763300.db2.gz FQIOYLPBYWXWJB-CYBMUJFWSA-N 1 2 365.462 2.747 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ccnn1C(F)F ZINC001095468409 1013487949 /nfs/dbraw/zinc/48/79/49/1013487949.db2.gz JLALIPRPTBTGQL-IKGGRYGDSA-N 1 2 370.403 2.665 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ccnn1C(F)F ZINC001095468409 1013487952 /nfs/dbraw/zinc/48/79/52/1013487952.db2.gz JLALIPRPTBTGQL-IKGGRYGDSA-N 1 2 370.403 2.665 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3nnc(Cc4ccccc4)o3)CC2)cc1 ZINC000891505407 964398490 /nfs/dbraw/zinc/39/84/90/964398490.db2.gz LAUBBGBWWFCXCL-UHFFFAOYSA-N 1 2 359.433 2.854 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000960885842 1013506745 /nfs/dbraw/zinc/50/67/45/1013506745.db2.gz XTQXAARZXRGALT-KSZLIROESA-N 1 2 359.470 2.566 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1coc(C2CC2)n1 ZINC000960885842 1013506755 /nfs/dbraw/zinc/50/67/55/1013506755.db2.gz XTQXAARZXRGALT-KSZLIROESA-N 1 2 359.470 2.566 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(C3CC3)on2)C1 ZINC001087466267 964601081 /nfs/dbraw/zinc/60/10/81/964601081.db2.gz KAWMRGIWPDQRKL-IEBWSBKVSA-N 1 2 367.424 2.912 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(C3CC3)on2)C1 ZINC001087466267 964601086 /nfs/dbraw/zinc/60/10/86/964601086.db2.gz KAWMRGIWPDQRKL-IEBWSBKVSA-N 1 2 367.424 2.912 20 30 FFEDLO NC(=NOCc1ccc(F)cc1F)c1cccc(C[NH+]2CCOCC2)c1 ZINC000084915029 964887743 /nfs/dbraw/zinc/88/77/43/964887743.db2.gz BQMGPZICRJUXLU-UHFFFAOYSA-N 1 2 361.392 2.634 20 30 FFEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[C@@H](c3ccccc3)C1)CO2 ZINC001482286625 965048786 /nfs/dbraw/zinc/04/87/86/965048786.db2.gz LUHQLOLGPLGNKF-AQNXPRMDSA-N 1 2 352.478 2.553 20 30 FFEDLO CC#CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)C(F)F)C1 ZINC001087469890 965312871 /nfs/dbraw/zinc/31/28/71/965312871.db2.gz AWKFIRMSKDQFCJ-IRXDYDNUSA-N 1 2 350.409 2.648 20 30 FFEDLO CC#CC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)C(F)F)C1 ZINC001087469890 965312886 /nfs/dbraw/zinc/31/28/86/965312886.db2.gz AWKFIRMSKDQFCJ-IRXDYDNUSA-N 1 2 350.409 2.648 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nnc(CC)o2)cc1 ZINC001087197371 966098593 /nfs/dbraw/zinc/09/85/93/966098593.db2.gz LTLQITPXPIQUJD-QAPCUYQASA-N 1 2 366.465 2.644 20 30 FFEDLO Cc1ccc(C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)cc1Cl ZINC001270822364 966113844 /nfs/dbraw/zinc/11/38/44/966113844.db2.gz LXYKNCQMXSFHJH-UHFFFAOYSA-N 1 2 368.868 2.817 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1nsc2ccccc12 ZINC001267250552 967443463 /nfs/dbraw/zinc/44/34/63/967443463.db2.gz PARYLNHMZPPAEX-WBVHZDCISA-N 1 2 359.495 2.826 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](CC)Cc1nsc2ccccc12 ZINC001267250552 967443469 /nfs/dbraw/zinc/44/34/69/967443469.db2.gz PARYLNHMZPPAEX-WBVHZDCISA-N 1 2 359.495 2.826 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cscn2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087519074 967599501 /nfs/dbraw/zinc/59/95/01/967599501.db2.gz YALZUWLRJFJWPS-DOTOQJQBSA-N 1 2 358.442 2.937 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cscn2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087519074 967599506 /nfs/dbraw/zinc/59/95/06/967599506.db2.gz YALZUWLRJFJWPS-DOTOQJQBSA-N 1 2 358.442 2.937 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3ccn(C)n3)C2)CCC1 ZINC001112162344 967791554 /nfs/dbraw/zinc/79/15/54/967791554.db2.gz PBXZZWJXTUKTSH-HUUCEWRRSA-N 1 2 370.419 2.645 20 30 FFEDLO C=CCN1CCN(C[N@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)C1=O ZINC000840058364 969060298 /nfs/dbraw/zinc/06/02/98/969060298.db2.gz PVVVOWOPTKISCR-KRWDZBQOSA-N 1 2 365.481 2.626 20 30 FFEDLO C=CCN1CCN(C[N@@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)C1=O ZINC000840058364 969060305 /nfs/dbraw/zinc/06/03/05/969060305.db2.gz PVVVOWOPTKISCR-KRWDZBQOSA-N 1 2 365.481 2.626 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cnn(C(C)C)c2)[C@H]1CC ZINC001087793456 969076489 /nfs/dbraw/zinc/07/64/89/969076489.db2.gz JSQYJJCDRSZRQB-LSDHHAIUSA-N 1 2 369.307 2.955 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C(C)C)c2)[C@H]1CC ZINC001087793456 969076497 /nfs/dbraw/zinc/07/64/97/969076497.db2.gz JSQYJJCDRSZRQB-LSDHHAIUSA-N 1 2 369.307 2.955 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)/C=C\c3ccco3)[C@@H]2C1 ZINC001075497997 969130254 /nfs/dbraw/zinc/13/02/54/969130254.db2.gz PTNYLBGFXSHFIE-LTIZXKLPSA-N 1 2 351.244 2.734 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)/C=C\c3ccco3)[C@@H]2C1 ZINC001075497997 969130261 /nfs/dbraw/zinc/13/02/61/969130261.db2.gz PTNYLBGFXSHFIE-LTIZXKLPSA-N 1 2 351.244 2.734 20 30 FFEDLO C=C[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](Cc3cncs3)C[C@@H]21)c1ccccc1 ZINC001083281982 970187071 /nfs/dbraw/zinc/18/70/71/970187071.db2.gz JMYWYSAMYUKDEB-CEXWTWQISA-N 1 2 369.490 2.525 20 30 FFEDLO C=C[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cncs3)C[C@@H]21)c1ccccc1 ZINC001083281982 970187080 /nfs/dbraw/zinc/18/70/80/970187080.db2.gz JMYWYSAMYUKDEB-CEXWTWQISA-N 1 2 369.490 2.525 20 30 FFEDLO Cc1conc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001098168834 970412092 /nfs/dbraw/zinc/41/20/92/970412092.db2.gz ZRXGTIWPUUQPIV-OIISXLGYSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1conc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001098168834 970412096 /nfs/dbraw/zinc/41/20/96/970412096.db2.gz ZRXGTIWPUUQPIV-OIISXLGYSA-N 1 2 354.385 2.529 20 30 FFEDLO N#Cc1cccc([C@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)C(F)(F)F)c1 ZINC000875511808 1014037026 /nfs/dbraw/zinc/03/70/26/1014037026.db2.gz XFPFWBLZUXSFPX-ZFWWWQNUSA-N 1 2 363.343 2.672 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4cn(C(C)C)nn4)CC[C@@H]3C2)CC1 ZINC001088092937 972713592 /nfs/dbraw/zinc/71/35/92/972713592.db2.gz COPFJXVMYSKNAC-MOPGFXCFSA-N 1 2 371.529 2.886 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4cn(C(C)C)nn4)CC[C@@H]3C2)CC1 ZINC001088092937 972713604 /nfs/dbraw/zinc/71/36/04/972713604.db2.gz COPFJXVMYSKNAC-MOPGFXCFSA-N 1 2 371.529 2.886 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(CC)n1 ZINC001059513719 973434372 /nfs/dbraw/zinc/43/43/72/973434372.db2.gz VBMANANBKQXZDF-FVAVCCDCSA-N 1 2 370.497 2.555 20 30 FFEDLO CC[C@H](CC#N)[NH2+]Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000893606135 975896995 /nfs/dbraw/zinc/89/69/95/975896995.db2.gz NCHRKQPGWUASJN-HUUCEWRRSA-N 1 2 362.478 2.632 20 30 FFEDLO C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001087431262 976030409 /nfs/dbraw/zinc/03/04/09/976030409.db2.gz HHHSYFQGXQKRIE-VQIMIIECSA-N 1 2 350.466 2.672 20 30 FFEDLO C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001087431262 976030422 /nfs/dbraw/zinc/03/04/22/976030422.db2.gz HHHSYFQGXQKRIE-VQIMIIECSA-N 1 2 350.466 2.672 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2c(C)cc(C)[nH]c2=O)[C@H]1C ZINC001088781163 976173851 /nfs/dbraw/zinc/17/38/51/976173851.db2.gz WUSWLTLTYBRJOW-OLZOCXBDSA-N 1 2 368.275 2.505 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2c(C)cc(C)[nH]c2=O)[C@H]1C ZINC001088781163 976173857 /nfs/dbraw/zinc/17/38/57/976173857.db2.gz WUSWLTLTYBRJOW-OLZOCXBDSA-N 1 2 368.275 2.505 20 30 FFEDLO Cc1cn(C(C)(C)C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)c[nH+]1 ZINC000898566168 976545006 /nfs/dbraw/zinc/54/50/06/976545006.db2.gz GDDICCQDCWZSNK-SFHVURJKSA-N 1 2 351.454 2.536 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)[C@@H]2C1 ZINC001076011464 977429659 /nfs/dbraw/zinc/42/96/59/977429659.db2.gz MHPDZBFEAQCAJB-MAUKXSAKSA-N 1 2 356.857 2.976 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)[C@@H]2C1 ZINC001076011464 977429665 /nfs/dbraw/zinc/42/96/65/977429665.db2.gz MHPDZBFEAQCAJB-MAUKXSAKSA-N 1 2 356.857 2.976 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccncc4F)[C@@H]3C2)c1 ZINC001075641830 977851097 /nfs/dbraw/zinc/85/10/97/977851097.db2.gz VKJATFRYNFEKAZ-IFXJQAMLSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccncc4F)[C@@H]3C2)c1 ZINC001075641830 977851104 /nfs/dbraw/zinc/85/11/04/977851104.db2.gz VKJATFRYNFEKAZ-IFXJQAMLSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCCCO3)[C@@H]2C1 ZINC001075675279 978329280 /nfs/dbraw/zinc/32/92/80/978329280.db2.gz QYEGLWDWAZWITN-FFZOFVMBSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCCCO3)[C@@H]2C1 ZINC001075675279 978329284 /nfs/dbraw/zinc/32/92/84/978329284.db2.gz QYEGLWDWAZWITN-FFZOFVMBSA-N 1 2 371.456 2.689 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC000968722747 1014479284 /nfs/dbraw/zinc/47/92/84/1014479284.db2.gz SIHRMKYWMZGMJE-OAGGEKHMSA-N 1 2 361.486 2.644 20 30 FFEDLO C#CCCCc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC(C)C ZINC000909625194 979062613 /nfs/dbraw/zinc/06/26/13/979062613.db2.gz QPWYOIFRHRHFML-UHFFFAOYSA-N 1 2 352.486 2.612 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)[C@@H]2C1 ZINC001076070665 979085071 /nfs/dbraw/zinc/08/50/71/979085071.db2.gz VDERYFZONLVFQH-YHUYYLMFSA-N 1 2 353.304 2.864 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)[C@@H]2C1 ZINC001076070665 979085079 /nfs/dbraw/zinc/08/50/79/979085079.db2.gz VDERYFZONLVFQH-YHUYYLMFSA-N 1 2 353.304 2.864 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)c4nnc(CC)o4)C[C@H]32)cc1 ZINC001076119140 979126874 /nfs/dbraw/zinc/12/68/74/979126874.db2.gz AUCQSUSBYZUFLR-JCGIZDLHSA-N 1 2 364.449 2.521 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)c4nnc(CC)o4)C[C@H]32)cc1 ZINC001076119140 979126878 /nfs/dbraw/zinc/12/68/78/979126878.db2.gz AUCQSUSBYZUFLR-JCGIZDLHSA-N 1 2 364.449 2.521 20 30 FFEDLO COc1c(C)c[nH+]c(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1C ZINC000877340648 1014553961 /nfs/dbraw/zinc/55/39/61/1014553961.db2.gz LFDHASMYEYRRLM-HOCLYGCPSA-N 1 2 360.458 2.556 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C(C)(F)F)[C@@H]2C1 ZINC001076254998 979281354 /nfs/dbraw/zinc/28/13/54/979281354.db2.gz PMNIPLFBBDKLEH-SDDRHHMPSA-N 1 2 351.235 2.719 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C(C)(F)F)[C@@H]2C1 ZINC001076254998 979281359 /nfs/dbraw/zinc/28/13/59/979281359.db2.gz PMNIPLFBBDKLEH-SDDRHHMPSA-N 1 2 351.235 2.719 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCCCO3)[C@@H]2C1 ZINC001076310276 979360491 /nfs/dbraw/zinc/36/04/91/979360491.db2.gz CXWOLTCSWKVQRM-HRCADAONSA-N 1 2 371.319 2.777 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCCCO3)[C@@H]2C1 ZINC001076310276 979360499 /nfs/dbraw/zinc/36/04/99/979360499.db2.gz CXWOLTCSWKVQRM-HRCADAONSA-N 1 2 371.319 2.777 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cncc(C(F)(F)F)c3)[C@@H]2C1 ZINC001076425977 979481832 /nfs/dbraw/zinc/48/18/32/979481832.db2.gz DZVJSXANZSHISB-SMDDNHRTSA-N 1 2 359.779 2.999 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cncc(C(F)(F)F)c3)[C@@H]2C1 ZINC001076425977 979481837 /nfs/dbraw/zinc/48/18/37/979481837.db2.gz DZVJSXANZSHISB-SMDDNHRTSA-N 1 2 359.779 2.999 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-c4cnn(C)c4)o3)[C@@H]2C1 ZINC001076442213 979503642 /nfs/dbraw/zinc/50/36/42/979503642.db2.gz KALLUQJNAYMVJR-DZGCQCFKSA-N 1 2 360.845 2.579 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-c4cnn(C)c4)o3)[C@@H]2C1 ZINC001076442213 979503643 /nfs/dbraw/zinc/50/36/43/979503643.db2.gz KALLUQJNAYMVJR-DZGCQCFKSA-N 1 2 360.845 2.579 20 30 FFEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(C)c(C)o3)C[C@H]21 ZINC001076504479 979597319 /nfs/dbraw/zinc/59/73/19/979597319.db2.gz BZYZEEVUZLHWLR-VQTJNVASSA-N 1 2 363.461 2.548 20 30 FFEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@H+](Cc3nc(C)c(C)o3)C[C@H]21 ZINC001076504479 979597333 /nfs/dbraw/zinc/59/73/33/979597333.db2.gz BZYZEEVUZLHWLR-VQTJNVASSA-N 1 2 363.461 2.548 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Oc3ccc(F)cc3)[C@@H]2C1 ZINC001076549184 979648824 /nfs/dbraw/zinc/64/88/24/979648824.db2.gz YELMTYUMOPYECO-GRDNDAEWSA-N 1 2 352.837 2.878 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Oc3ccc(F)cc3)[C@@H]2C1 ZINC001076549184 979648827 /nfs/dbraw/zinc/64/88/27/979648827.db2.gz YELMTYUMOPYECO-GRDNDAEWSA-N 1 2 352.837 2.878 20 30 FFEDLO N#CCOc1cccc(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC001116055675 1032096663 /nfs/dbraw/zinc/09/66/63/1032096663.db2.gz RWJIXGMBIVJGAF-UHFFFAOYSA-N 1 2 370.478 2.678 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(CC)n3)C[C@H]21)c1ccccc1 ZINC001076599335 979702146 /nfs/dbraw/zinc/70/21/46/979702146.db2.gz KYZCISSPWRCGDF-CEWLAPEOSA-N 1 2 364.493 2.906 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccn(CC)n3)C[C@H]21)c1ccccc1 ZINC001076599335 979702151 /nfs/dbraw/zinc/70/21/51/979702151.db2.gz KYZCISSPWRCGDF-CEWLAPEOSA-N 1 2 364.493 2.906 20 30 FFEDLO Cc1ncncc1C(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)[C@@H]1C ZINC001088477564 979780917 /nfs/dbraw/zinc/78/09/17/979780917.db2.gz ICTZUHKEGBDGBR-BEFAXECRSA-N 1 2 368.868 2.683 20 30 FFEDLO Cc1ncncc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H]1C ZINC001088477564 979780921 /nfs/dbraw/zinc/78/09/21/979780921.db2.gz ICTZUHKEGBDGBR-BEFAXECRSA-N 1 2 368.868 2.683 20 30 FFEDLO Cc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)s1 ZINC001088488401 979875342 /nfs/dbraw/zinc/87/53/42/979875342.db2.gz CEGAWKNMMRJAAA-BZNIZROVSA-N 1 2 358.442 2.855 20 30 FFEDLO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)s1 ZINC001088488401 979875349 /nfs/dbraw/zinc/87/53/49/979875349.db2.gz CEGAWKNMMRJAAA-BZNIZROVSA-N 1 2 358.442 2.855 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccnc(F)c2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088489147 979877902 /nfs/dbraw/zinc/87/79/02/979877902.db2.gz KJLAOPSCLOSBAY-PXAZEXFGSA-N 1 2 356.376 2.624 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccnc(F)c2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088489147 979877909 /nfs/dbraw/zinc/87/79/09/979877909.db2.gz KJLAOPSCLOSBAY-PXAZEXFGSA-N 1 2 356.376 2.624 20 30 FFEDLO N#CCOc1ccc(Br)cc1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001168369720 980291180 /nfs/dbraw/zinc/29/11/80/980291180.db2.gz JEKREYXXMULVLM-CYBMUJFWSA-N 1 2 366.259 2.627 20 30 FFEDLO N#CCOc1ccc(Br)cc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001168369720 980291184 /nfs/dbraw/zinc/29/11/84/980291184.db2.gz JEKREYXXMULVLM-CYBMUJFWSA-N 1 2 366.259 2.627 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1nc2ccc(F)cc2o1 ZINC001088511403 980370174 /nfs/dbraw/zinc/37/01/74/980370174.db2.gz MTFAXLXGLHKDFF-RISCZKNCSA-N 1 2 367.384 2.559 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1nc2ccc(F)cc2o1 ZINC001088511403 980370178 /nfs/dbraw/zinc/37/01/78/980370178.db2.gz MTFAXLXGLHKDFF-RISCZKNCSA-N 1 2 367.384 2.559 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C2=CCOCC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088536916 980473861 /nfs/dbraw/zinc/47/38/61/980473861.db2.gz ULWPYCASOUVEOS-BEFAXECRSA-N 1 2 358.869 2.617 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C2=CCOCC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088536916 980473865 /nfs/dbraw/zinc/47/38/65/980473865.db2.gz ULWPYCASOUVEOS-BEFAXECRSA-N 1 2 358.869 2.617 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C)s3)C[C@H]21 ZINC001075885068 980475271 /nfs/dbraw/zinc/47/52/71/980475271.db2.gz CPYCZJRRALELEA-DOTOQJQBSA-N 1 2 356.495 2.786 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C)s3)C[C@H]21 ZINC001075885068 980475274 /nfs/dbraw/zinc/47/52/74/980475274.db2.gz CPYCZJRRALELEA-DOTOQJQBSA-N 1 2 356.495 2.786 20 30 FFEDLO COc1ccc(C[C@H]([NH3+])c2nc(-c3ccc(C#N)c(C)c3)no2)c(O)c1 ZINC001211952427 981248187 /nfs/dbraw/zinc/24/81/87/981248187.db2.gz ZPXFOLDCFWXLOQ-INIZCTEOSA-N 1 2 350.378 2.873 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000907948034 981330424 /nfs/dbraw/zinc/33/04/24/981330424.db2.gz LTSLBUXWJXFJIL-HKUYNNGSSA-N 1 2 354.454 2.706 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[C@H](C)C(C)C ZINC001212015375 981457870 /nfs/dbraw/zinc/45/78/70/981457870.db2.gz ICXSQLIZCPTSGX-GDIGMMSISA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[C@H](C)C(C)C ZINC001212015375 981457872 /nfs/dbraw/zinc/45/78/72/981457872.db2.gz ICXSQLIZCPTSGX-GDIGMMSISA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@H+](CCc2cc(Cl)ccc2Cl)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041184 981468494 /nfs/dbraw/zinc/46/84/94/981468494.db2.gz HJBQDYSKKBFYDY-HFBAOOFYSA-N 1 2 370.280 2.511 20 30 FFEDLO CO[C@@H]1C[N@@H+](CCc2cc(Cl)ccc2Cl)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041184 981468498 /nfs/dbraw/zinc/46/84/98/981468498.db2.gz HJBQDYSKKBFYDY-HFBAOOFYSA-N 1 2 370.280 2.511 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccon1 ZINC000969063039 1014780931 /nfs/dbraw/zinc/78/09/31/1014780931.db2.gz YEQYAWYBPZMENJ-QYZOEREBSA-N 1 2 361.486 2.907 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1Cc1ccon1 ZINC000969063039 1014780939 /nfs/dbraw/zinc/78/09/39/1014780939.db2.gz YEQYAWYBPZMENJ-QYZOEREBSA-N 1 2 361.486 2.907 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnc3ccccc3n2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088623525 982004478 /nfs/dbraw/zinc/00/44/78/982004478.db2.gz FDCTXCBXJHGKQX-QAPCUYQASA-N 1 2 371.444 2.894 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnc3ccccc3n2)CC[N@H+]1Cc1ccccc1C#N ZINC001088623525 982004486 /nfs/dbraw/zinc/00/44/86/982004486.db2.gz FDCTXCBXJHGKQX-QAPCUYQASA-N 1 2 371.444 2.894 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnc(C3CC3)o2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088629051 982020748 /nfs/dbraw/zinc/02/07/48/982020748.db2.gz AENOURJKUVIGNY-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnc(C3CC3)o2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088629051 982020755 /nfs/dbraw/zinc/02/07/55/982020755.db2.gz AENOURJKUVIGNY-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)c1Cl ZINC001088629248 982021414 /nfs/dbraw/zinc/02/14/14/982021414.db2.gz NCGRUZMHUIZADS-WBMJQRKESA-N 1 2 371.872 2.890 20 30 FFEDLO CCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)[C@@H]2C)c1Cl ZINC001088629248 982021419 /nfs/dbraw/zinc/02/14/19/982021419.db2.gz NCGRUZMHUIZADS-WBMJQRKESA-N 1 2 371.872 2.890 20 30 FFEDLO N#Cc1cc(F)c(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)c(F)c1 ZINC000910787884 982051957 /nfs/dbraw/zinc/05/19/57/982051957.db2.gz XQJVMFBJHMXWSD-UHFFFAOYSA-N 1 2 353.372 2.937 20 30 FFEDLO N#Cc1cc(F)c(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)c(F)c1 ZINC000910787884 982051970 /nfs/dbraw/zinc/05/19/70/982051970.db2.gz XQJVMFBJHMXWSD-UHFFFAOYSA-N 1 2 353.372 2.937 20 30 FFEDLO CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000878310394 1014979942 /nfs/dbraw/zinc/97/99/42/1014979942.db2.gz LSVDUBPTEROFLV-PMACEKPBSA-N 1 2 356.514 2.902 20 30 FFEDLO C=CCCC(C)(C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000912729077 984102101 /nfs/dbraw/zinc/10/21/01/984102101.db2.gz TVVBMWYWSHZODP-KRWDZBQOSA-N 1 2 360.502 2.878 20 30 FFEDLO C=CCCC(C)(C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000912729077 984102103 /nfs/dbraw/zinc/10/21/03/984102103.db2.gz TVVBMWYWSHZODP-KRWDZBQOSA-N 1 2 360.502 2.878 20 30 FFEDLO C=CC(C)(C)CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000912979008 984159058 /nfs/dbraw/zinc/15/90/58/984159058.db2.gz UABOAXPLCAVDSI-KRWDZBQOSA-N 1 2 360.502 2.736 20 30 FFEDLO C=CC(C)(C)CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000912979008 984159060 /nfs/dbraw/zinc/15/90/60/984159060.db2.gz UABOAXPLCAVDSI-KRWDZBQOSA-N 1 2 360.502 2.736 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H](CCNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCC1 ZINC001060335606 984786297 /nfs/dbraw/zinc/78/62/97/984786297.db2.gz NMNCMJCASFNKMB-GVDBMIGSSA-N 1 2 370.497 2.614 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H](CCNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCC1 ZINC001060335606 984786301 /nfs/dbraw/zinc/78/63/01/984786301.db2.gz NMNCMJCASFNKMB-GVDBMIGSSA-N 1 2 370.497 2.614 20 30 FFEDLO C=CCN1C(=O)N(CCCCn2cc[nH+]c2)C(=O)[C@H]1Cc1ccccc1 ZINC000761128876 984822285 /nfs/dbraw/zinc/82/22/85/984822285.db2.gz YVVIQVIPWOTICP-GOSISDBHSA-N 1 2 352.438 2.725 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H]2CC[C@H](c3ccccc3)O2)n1 ZINC000878525965 1015085983 /nfs/dbraw/zinc/08/59/83/1015085983.db2.gz HKMUUKVMDUXGJE-NHCUHLMSSA-N 1 2 353.466 2.885 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H]2CC[C@H](c3ccccc3)O2)n1 ZINC000878525965 1015085988 /nfs/dbraw/zinc/08/59/88/1015085988.db2.gz HKMUUKVMDUXGJE-NHCUHLMSSA-N 1 2 353.466 2.885 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3c2c(F)ccc3F)C[C@H]1OC ZINC001212187514 985140584 /nfs/dbraw/zinc/14/05/84/985140584.db2.gz WXNGOOUXBKDHEH-KZNAEPCWSA-N 1 2 362.420 2.571 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3c2c(F)ccc3F)C[C@H]1OC ZINC001212187514 985140591 /nfs/dbraw/zinc/14/05/91/985140591.db2.gz WXNGOOUXBKDHEH-KZNAEPCWSA-N 1 2 362.420 2.571 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(-c3ccco3)on2)[C@@H]1C ZINC001088868099 985166317 /nfs/dbraw/zinc/16/63/17/985166317.db2.gz KQMYXLAYTGFLID-SIXLDLHFSA-N 1 2 371.437 2.605 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(-c3ccco3)on2)[C@@H]1C ZINC001088868099 985166325 /nfs/dbraw/zinc/16/63/25/985166325.db2.gz KQMYXLAYTGFLID-SIXLDLHFSA-N 1 2 371.437 2.605 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)[C@@H]2C)O1 ZINC001088870667 985194093 /nfs/dbraw/zinc/19/40/93/985194093.db2.gz ZATLMEMWHOKECP-VVWQDTPRSA-N 1 2 360.885 2.838 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)[C@@H]2C)O1 ZINC001088870667 985194099 /nfs/dbraw/zinc/19/40/99/985194099.db2.gz ZATLMEMWHOKECP-VVWQDTPRSA-N 1 2 360.885 2.838 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)oc3C)[C@@H]2C)cc1 ZINC001088905976 985411544 /nfs/dbraw/zinc/41/15/44/985411544.db2.gz AAQALSFDNOTGIP-KUHUBIRLSA-N 1 2 367.449 2.696 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)oc3C)[C@@H]2C)cc1 ZINC001088905976 985411548 /nfs/dbraw/zinc/41/15/48/985411548.db2.gz AAQALSFDNOTGIP-KUHUBIRLSA-N 1 2 367.449 2.696 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088940060 985529701 /nfs/dbraw/zinc/52/97/01/985529701.db2.gz AGBWLRIDXSRRAY-PXAZEXFGSA-N 1 2 356.376 2.624 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088940060 985529708 /nfs/dbraw/zinc/52/97/08/985529708.db2.gz AGBWLRIDXSRRAY-PXAZEXFGSA-N 1 2 356.376 2.624 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)c(C)s3)[C@@H]2C)nc1 ZINC001088988327 985779017 /nfs/dbraw/zinc/77/90/17/985779017.db2.gz PGVVLUWOVIICMV-CJNGLKHVSA-N 1 2 354.479 2.529 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)c(C)s3)[C@@H]2C)nc1 ZINC001088988327 985779030 /nfs/dbraw/zinc/77/90/30/985779030.db2.gz PGVVLUWOVIICMV-CJNGLKHVSA-N 1 2 354.479 2.529 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)sc3C)[C@@H]2C)cn1 ZINC001088991338 985800671 /nfs/dbraw/zinc/80/06/71/985800671.db2.gz UYOAHTLHTGNCFL-PXAZEXFGSA-N 1 2 354.479 2.529 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)sc3C)[C@@H]2C)cn1 ZINC001088991338 985800687 /nfs/dbraw/zinc/80/06/87/985800687.db2.gz UYOAHTLHTGNCFL-PXAZEXFGSA-N 1 2 354.479 2.529 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088997638 985855987 /nfs/dbraw/zinc/85/59/87/985855987.db2.gz AHXARVZJVHABRF-YGRLFVJLSA-N 1 2 362.792 2.732 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088997638 985855996 /nfs/dbraw/zinc/85/59/96/985855996.db2.gz AHXARVZJVHABRF-YGRLFVJLSA-N 1 2 362.792 2.732 20 30 FFEDLO CCCCCCCCOCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1OC ZINC001212414258 986385778 /nfs/dbraw/zinc/38/57/78/986385778.db2.gz HUXDSJOFZDBTLL-VEUZHWNKSA-N 1 2 360.926 2.931 20 30 FFEDLO CCCCCCCCOCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1OC ZINC001212414258 986385789 /nfs/dbraw/zinc/38/57/89/986385789.db2.gz HUXDSJOFZDBTLL-VEUZHWNKSA-N 1 2 360.926 2.931 20 30 FFEDLO C=CCCOCCNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000127321316 1015215467 /nfs/dbraw/zinc/21/54/67/1015215467.db2.gz MUVKIQUTWAEWPA-UHFFFAOYSA-N 1 2 360.502 2.613 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)cc3Cl)C[C@H]2O)cc1 ZINC001077494028 986439180 /nfs/dbraw/zinc/43/91/80/986439180.db2.gz XCMAGEQEUOKALB-WOJBJXKFSA-N 1 2 368.864 2.605 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C)cc3Cl)C[C@H]2O)cc1 ZINC001077494028 986439183 /nfs/dbraw/zinc/43/91/83/986439183.db2.gz XCMAGEQEUOKALB-WOJBJXKFSA-N 1 2 368.864 2.605 20 30 FFEDLO NC(=NOCCc1ccccc1F)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000762206162 988208440 /nfs/dbraw/zinc/20/84/40/988208440.db2.gz GXKJDIPEIPSFTN-UHFFFAOYSA-N 1 2 357.429 2.538 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001003700868 988230650 /nfs/dbraw/zinc/23/06/50/988230650.db2.gz UQCOJHUJJGUFMR-PZTGFMGMSA-N 1 2 372.513 2.777 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106571881 988411401 /nfs/dbraw/zinc/41/14/01/988411401.db2.gz BOVYCSHRDGJBCJ-QBIMZIAESA-N 1 2 358.486 2.562 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)ccc1F ZINC001007913970 1015420083 /nfs/dbraw/zinc/42/00/83/1015420083.db2.gz QSUUXAVJSGOEGE-DSKINZAPSA-N 1 2 371.456 2.737 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)ccc1F ZINC001007913970 1015420086 /nfs/dbraw/zinc/42/00/86/1015420086.db2.gz QSUUXAVJSGOEGE-DSKINZAPSA-N 1 2 371.456 2.737 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)c(C#N)c1C ZINC000879243542 1015433291 /nfs/dbraw/zinc/43/32/91/1015433291.db2.gz WLLSMVIFIAKOKX-HKUYNNGSSA-N 1 2 353.422 2.905 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)c(C#N)c1C ZINC000879243542 1015433297 /nfs/dbraw/zinc/43/32/97/1015433297.db2.gz WLLSMVIFIAKOKX-HKUYNNGSSA-N 1 2 353.422 2.905 20 30 FFEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)CC1 ZINC001004575305 989052047 /nfs/dbraw/zinc/05/20/47/989052047.db2.gz HGHQAWVGRCOGHO-NJDAHSKKSA-N 1 2 367.493 2.786 20 30 FFEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)CC1 ZINC001004575305 989052058 /nfs/dbraw/zinc/05/20/58/989052058.db2.gz HGHQAWVGRCOGHO-NJDAHSKKSA-N 1 2 367.493 2.786 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cn1 ZINC000766041265 989360652 /nfs/dbraw/zinc/36/06/52/989360652.db2.gz VATAMQMGGOUIAO-RTBURBONSA-N 1 2 369.852 2.518 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000766041265 989360660 /nfs/dbraw/zinc/36/06/60/989360660.db2.gz VATAMQMGGOUIAO-RTBURBONSA-N 1 2 369.852 2.518 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001033498392 989628458 /nfs/dbraw/zinc/62/84/58/989628458.db2.gz XWPUXNDKFZWNLY-GJYPPUQNSA-N 1 2 359.470 2.566 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001033498392 989628466 /nfs/dbraw/zinc/62/84/66/989628466.db2.gz XWPUXNDKFZWNLY-GJYPPUQNSA-N 1 2 359.470 2.566 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2nocc2C)C1 ZINC001034434497 990079096 /nfs/dbraw/zinc/07/90/96/990079096.db2.gz ALWAHGMXZZIDQW-AOIWGVFYSA-N 1 2 361.486 2.825 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2nocc2C)C1 ZINC001034434497 990079106 /nfs/dbraw/zinc/07/91/06/990079106.db2.gz ALWAHGMXZZIDQW-AOIWGVFYSA-N 1 2 361.486 2.825 20 30 FFEDLO C#CCNC(=O)c1cccc(-c2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)c1 ZINC000923863632 990240526 /nfs/dbraw/zinc/24/05/26/990240526.db2.gz HDUXJKTVYPCYCO-QGZVFWFLSA-N 1 2 363.421 2.932 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC001034826770 990292348 /nfs/dbraw/zinc/29/23/48/990292348.db2.gz XNRDUWYCDCPLCZ-OALUTQOASA-N 1 2 355.438 2.562 20 30 FFEDLO C=CCc1cc(C[NH2+]C2(c3ncccn3)CCOCC2)cc(OC)c1O ZINC000923010286 990790701 /nfs/dbraw/zinc/79/07/01/990790701.db2.gz YCEULZKBBJWRKS-UHFFFAOYSA-N 1 2 355.438 2.715 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2nsc3ccccc23)C1 ZINC001031680491 990945052 /nfs/dbraw/zinc/94/50/52/990945052.db2.gz GWWIXWAQAFGZMD-AEFFLSMTSA-N 1 2 371.506 2.826 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001063037712 991316801 /nfs/dbraw/zinc/31/68/01/991316801.db2.gz OPGQPVHSRPCZOP-ZACQAIPSSA-N 1 2 358.486 2.537 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cc(C)on1 ZINC001089694139 991397566 /nfs/dbraw/zinc/39/75/66/991397566.db2.gz SYKLPDBEUXVEPQ-KSZLIROESA-N 1 2 361.486 2.681 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cc(C)on1 ZINC001089694139 991397574 /nfs/dbraw/zinc/39/75/74/991397574.db2.gz SYKLPDBEUXVEPQ-KSZLIROESA-N 1 2 361.486 2.681 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccon1 ZINC001089708064 991445136 /nfs/dbraw/zinc/44/51/36/991445136.db2.gz AZQKSNPHUCWTKC-BZSNNMDCSA-N 1 2 361.486 2.763 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccon1 ZINC001089708064 991445143 /nfs/dbraw/zinc/44/51/43/991445143.db2.gz AZQKSNPHUCWTKC-BZSNNMDCSA-N 1 2 361.486 2.763 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](CCC)CC2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129307502 991530611 /nfs/dbraw/zinc/53/06/11/991530611.db2.gz DKAMHLPWVHQQTR-AQNXPRMDSA-N 1 2 371.529 2.640 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CCC)CC2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129307502 991530625 /nfs/dbraw/zinc/53/06/25/991530625.db2.gz DKAMHLPWVHQQTR-AQNXPRMDSA-N 1 2 371.529 2.640 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1OC ZINC001212320990 991670749 /nfs/dbraw/zinc/67/07/49/991670749.db2.gz MLBSOKMRICWTFB-RTBURBONSA-N 1 2 359.470 2.636 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2cc(C3CC3)no2)C[C@H]1OC ZINC001212320990 991670753 /nfs/dbraw/zinc/67/07/53/991670753.db2.gz MLBSOKMRICWTFB-RTBURBONSA-N 1 2 359.470 2.636 20 30 FFEDLO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@H]1c1ccccc1F ZINC001079286999 991973295 /nfs/dbraw/zinc/97/32/95/991973295.db2.gz JQNRAWNKSOUZJF-WMLDXEAASA-N 1 2 362.836 2.808 20 30 FFEDLO Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)c1 ZINC001079523726 992187811 /nfs/dbraw/zinc/18/78/11/992187811.db2.gz WDHVIIFKPHYYAI-AUUYWEPGSA-N 1 2 352.413 2.651 20 30 FFEDLO Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)c1 ZINC001079523726 992187817 /nfs/dbraw/zinc/18/78/17/992187817.db2.gz WDHVIIFKPHYYAI-AUUYWEPGSA-N 1 2 352.413 2.651 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCC[C@H](N(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000967573629 1015695816 /nfs/dbraw/zinc/69/58/16/1015695816.db2.gz BENBSWSWKNNNJL-GVDBMIGSSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCC[C@H](N(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000967573629 1015695820 /nfs/dbraw/zinc/69/58/20/1015695820.db2.gz BENBSWSWKNNNJL-GVDBMIGSSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ncc(CC)o2)CC1(C)C ZINC000941039484 992264134 /nfs/dbraw/zinc/26/41/34/992264134.db2.gz RBITWWOAPSGDMA-IXDOHACOSA-N 1 2 361.486 2.545 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ncc(CC)o2)CC1(C)C ZINC000941039484 992264142 /nfs/dbraw/zinc/26/41/42/992264142.db2.gz RBITWWOAPSGDMA-IXDOHACOSA-N 1 2 361.486 2.545 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C1C=CC=CC=C1 ZINC001079783930 992437479 /nfs/dbraw/zinc/43/74/79/992437479.db2.gz HZSVXOGXDXBGHH-FOIQADDNSA-N 1 2 351.425 2.932 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C1C=CC=CC=C1 ZINC001079783930 992437486 /nfs/dbraw/zinc/43/74/86/992437486.db2.gz HZSVXOGXDXBGHH-FOIQADDNSA-N 1 2 351.425 2.932 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1cnc(C2CC2)o1 ZINC001079872606 992514013 /nfs/dbraw/zinc/51/40/13/992514013.db2.gz VQYSXHXMCFSTHN-SJKOYZFVSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1cnc(C2CC2)o1 ZINC001079872606 992514022 /nfs/dbraw/zinc/51/40/22/992514022.db2.gz VQYSXHXMCFSTHN-SJKOYZFVSA-N 1 2 368.412 2.813 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCC(F)(F)C2)cc1C#N ZINC001272711323 992577611 /nfs/dbraw/zinc/57/76/11/992577611.db2.gz MBNRQEUGJJCEMY-OAGGEKHMSA-N 1 2 362.424 2.507 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCC(F)(F)C2)cc1C#N ZINC001272711323 992577616 /nfs/dbraw/zinc/57/76/16/992577616.db2.gz MBNRQEUGJJCEMY-OAGGEKHMSA-N 1 2 362.424 2.507 20 30 FFEDLO Cc1cc(C)nc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)c1 ZINC001080013464 992650780 /nfs/dbraw/zinc/65/07/80/992650780.db2.gz JJWULORSAKSYDQ-JLTOFOAXSA-N 1 2 366.440 2.960 20 30 FFEDLO Cc1cc(C)nc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)c1 ZINC001080013464 992650781 /nfs/dbraw/zinc/65/07/81/992650781.db2.gz JJWULORSAKSYDQ-JLTOFOAXSA-N 1 2 366.440 2.960 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106972008 992686993 /nfs/dbraw/zinc/68/69/93/992686993.db2.gz ZYXNVVMGIIPJFQ-SJORKVTESA-N 1 2 358.486 2.904 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001008848061 1015730293 /nfs/dbraw/zinc/73/02/93/1015730293.db2.gz WAPDJQFPHOSQGW-BJLQDIEVSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001008848061 1015730296 /nfs/dbraw/zinc/73/02/96/1015730296.db2.gz WAPDJQFPHOSQGW-BJLQDIEVSA-N 1 2 371.456 2.759 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1nc2c(s1)CCC2 ZINC001080131356 992765860 /nfs/dbraw/zinc/76/58/60/992765860.db2.gz FTPSFMXAKBGJLP-CXAGYDPISA-N 1 2 366.490 2.754 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1nc2c(s1)CCC2 ZINC001080131356 992765865 /nfs/dbraw/zinc/76/58/65/992765865.db2.gz FTPSFMXAKBGJLP-CXAGYDPISA-N 1 2 366.490 2.754 20 30 FFEDLO CC(=O)Nc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000880029937 1015737725 /nfs/dbraw/zinc/73/77/25/1015737725.db2.gz CFLNSTIBCIBEQC-CQSZACIVSA-N 1 2 362.433 2.902 20 30 FFEDLO CC(=O)Nc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000880029937 1015737731 /nfs/dbraw/zinc/73/77/31/1015737731.db2.gz CFLNSTIBCIBEQC-CQSZACIVSA-N 1 2 362.433 2.902 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3n[nH]cc32)C1 ZINC001080237934 992861682 /nfs/dbraw/zinc/86/16/82/992861682.db2.gz MUALXDILRCSRKB-MEBBXXQBSA-N 1 2 363.259 2.522 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3n[nH]cc32)C1 ZINC001080237934 992861686 /nfs/dbraw/zinc/86/16/86/992861686.db2.gz MUALXDILRCSRKB-MEBBXXQBSA-N 1 2 363.259 2.522 20 30 FFEDLO C=CCCC(=O)N1CCC2(CC1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001080637906 993238436 /nfs/dbraw/zinc/23/84/36/993238436.db2.gz HUFYNAPOKYTJIU-IAGOWNOFSA-N 1 2 370.497 2.711 20 30 FFEDLO C=CCCC(=O)N1CCC2(CC1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001080637906 993238445 /nfs/dbraw/zinc/23/84/45/993238445.db2.gz HUFYNAPOKYTJIU-IAGOWNOFSA-N 1 2 370.497 2.711 20 30 FFEDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000880158297 1015769794 /nfs/dbraw/zinc/76/97/94/1015769794.db2.gz FKFTVMNTQCZVSP-CHWSQXEVSA-N 1 2 371.315 2.640 20 30 FFEDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000880158297 1015769796 /nfs/dbraw/zinc/76/97/96/1015769796.db2.gz FKFTVMNTQCZVSP-CHWSQXEVSA-N 1 2 371.315 2.640 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(F)c3F)C[C@H]2C)nc1 ZINC001080808023 993368171 /nfs/dbraw/zinc/36/81/71/993368171.db2.gz FLPYXXFKCFRPFX-FZKQIMNGSA-N 1 2 355.388 2.591 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(F)c3F)C[C@H]2C)nc1 ZINC001080808023 993368178 /nfs/dbraw/zinc/36/81/78/993368178.db2.gz FLPYXXFKCFRPFX-FZKQIMNGSA-N 1 2 355.388 2.591 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c3ncccc23)C1 ZINC001080963940 993520488 /nfs/dbraw/zinc/52/04/88/993520488.db2.gz XKCBEIHRRGGTII-QMTHXVAHSA-N 1 2 363.259 2.522 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c3ncccc23)C1 ZINC001080963940 993520490 /nfs/dbraw/zinc/52/04/90/993520490.db2.gz XKCBEIHRRGGTII-QMTHXVAHSA-N 1 2 363.259 2.522 20 30 FFEDLO C=CCCC(=O)N(CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001081094800 993636980 /nfs/dbraw/zinc/63/69/80/993636980.db2.gz HKIBQNIXHRVCHX-IAGOWNOFSA-N 1 2 358.486 2.567 20 30 FFEDLO C=CCCC(=O)N(CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001081094800 993636984 /nfs/dbraw/zinc/63/69/84/993636984.db2.gz HKIBQNIXHRVCHX-IAGOWNOFSA-N 1 2 358.486 2.567 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C(C)=C1CCC1 ZINC001081648581 993911471 /nfs/dbraw/zinc/91/14/71/993911471.db2.gz QVVRZDQTBZQJJK-RTBURBONSA-N 1 2 357.429 2.513 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C(C)=C1CCC1 ZINC001081648581 993911479 /nfs/dbraw/zinc/91/14/79/993911479.db2.gz QVVRZDQTBZQJJK-RTBURBONSA-N 1 2 357.429 2.513 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1c(C)oc(C)c1C ZINC001081917960 994040500 /nfs/dbraw/zinc/04/05/00/994040500.db2.gz AYYWQZOKJOHNRL-WOJBJXKFSA-N 1 2 366.461 2.686 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1c(C)oc(C)c1C ZINC001081917960 994040509 /nfs/dbraw/zinc/04/05/09/994040509.db2.gz AYYWQZOKJOHNRL-WOJBJXKFSA-N 1 2 366.461 2.686 20 30 FFEDLO CCc1ccccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001082074203 994147509 /nfs/dbraw/zinc/14/75/09/994147509.db2.gz PSSSAXUBPCBBGY-NHCUHLMSSA-N 1 2 363.461 2.750 20 30 FFEDLO CCc1ccccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001082074203 994147513 /nfs/dbraw/zinc/14/75/13/994147513.db2.gz PSSSAXUBPCBBGY-NHCUHLMSSA-N 1 2 363.461 2.750 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]2OC)C1 ZINC001082102935 994183881 /nfs/dbraw/zinc/18/38/81/994183881.db2.gz KQQGAMQUOAFQAR-IAGOWNOFSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@H]2OC)C1 ZINC001082102935 994183886 /nfs/dbraw/zinc/18/38/86/994183886.db2.gz KQQGAMQUOAFQAR-IAGOWNOFSA-N 1 2 350.409 2.637 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1(C)C(C)(C)C1(C)C ZINC001082399567 994537624 /nfs/dbraw/zinc/53/76/24/994537624.db2.gz DCQYQAPIZQPGRE-RTBURBONSA-N 1 2 368.521 2.926 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1(C)C(C)(C)C1(C)C ZINC001082399567 994537634 /nfs/dbraw/zinc/53/76/34/994537634.db2.gz DCQYQAPIZQPGRE-RTBURBONSA-N 1 2 368.521 2.926 20 30 FFEDLO CCN(CCOC)c1cccc(CO[NH+]=C(N)c2ccc(F)c(C)c2)n1 ZINC000809995264 994662376 /nfs/dbraw/zinc/66/23/76/994662376.db2.gz OHGPJZFRRAUWCY-UHFFFAOYSA-N 1 2 360.433 2.839 20 30 FFEDLO Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2cccc(Cl)c2)n1 ZINC001098008368 1015926469 /nfs/dbraw/zinc/92/64/69/1015926469.db2.gz TUCQLTBRJHHNLI-KURKYZTESA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2cccc(Cl)c2)n1 ZINC001098008368 1015926476 /nfs/dbraw/zinc/92/64/76/1015926476.db2.gz TUCQLTBRJHHNLI-KURKYZTESA-N 1 2 368.868 2.758 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170690968 995574902 /nfs/dbraw/zinc/57/49/02/995574902.db2.gz VVHIRYKJGPIZSO-DNVCBOLYSA-N 1 2 374.435 2.753 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170690968 995574911 /nfs/dbraw/zinc/57/49/11/995574911.db2.gz VVHIRYKJGPIZSO-DNVCBOLYSA-N 1 2 374.435 2.753 20 30 FFEDLO Cn1c2ccccc2nc1N[NH+]=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000727254928 995729464 /nfs/dbraw/zinc/72/94/64/995729464.db2.gz DGSJDULDVDLLRP-UHFFFAOYSA-N 1 2 353.401 2.995 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2onc(C)c2C)C1 ZINC001098892545 995863898 /nfs/dbraw/zinc/86/38/98/995863898.db2.gz JHWHVNLJOADSPH-BBRMVZONSA-N 1 2 368.275 2.784 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2onc(C)c2C)C1 ZINC001098892545 995863902 /nfs/dbraw/zinc/86/39/02/995863902.db2.gz JHWHVNLJOADSPH-BBRMVZONSA-N 1 2 368.275 2.784 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C3CC3)no2)C1)c1ccccc1 ZINC001082937162 995869262 /nfs/dbraw/zinc/86/92/62/995869262.db2.gz MPOXJQOGQIDQAH-ZTFGCOKTSA-N 1 2 366.465 2.853 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(Cl)sc3Cl)[C@H]2C1 ZINC001083105074 996088078 /nfs/dbraw/zinc/08/80/78/996088078.db2.gz HSAMDMCSVONURA-NWDGAFQWSA-N 1 2 359.278 2.603 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(Cl)sc3Cl)[C@H]2C1 ZINC001083105074 996088083 /nfs/dbraw/zinc/08/80/83/996088083.db2.gz HSAMDMCSVONURA-NWDGAFQWSA-N 1 2 359.278 2.603 20 30 FFEDLO O=C(COC1CCCC1)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084208473 996343307 /nfs/dbraw/zinc/34/33/07/996343307.db2.gz ZEXCBKDCOXEEIM-WIYYLYMNSA-N 1 2 370.468 2.669 20 30 FFEDLO O=C(COC1CCCC1)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084208473 996343314 /nfs/dbraw/zinc/34/33/14/996343314.db2.gz ZEXCBKDCOXEEIM-WIYYLYMNSA-N 1 2 370.468 2.669 20 30 FFEDLO Cc1nscc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084293400 996398360 /nfs/dbraw/zinc/39/83/60/996398360.db2.gz FHSLPRZEIBZPFM-MLGOLLRUSA-N 1 2 358.492 2.731 20 30 FFEDLO Cc1nscc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084293400 996398365 /nfs/dbraw/zinc/39/83/65/996398365.db2.gz FHSLPRZEIBZPFM-MLGOLLRUSA-N 1 2 358.492 2.731 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)co1 ZINC001084303406 996434415 /nfs/dbraw/zinc/43/44/15/996434415.db2.gz CRCASBUNJFACDR-YLJYHZDGSA-N 1 2 352.409 2.925 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)co1 ZINC001084303406 996434417 /nfs/dbraw/zinc/43/44/17/996434417.db2.gz CRCASBUNJFACDR-YLJYHZDGSA-N 1 2 352.409 2.925 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084420538 996520138 /nfs/dbraw/zinc/52/01/38/996520138.db2.gz CHEGQYJQNYHEFJ-QOJCHSLYSA-N 1 2 371.456 2.545 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084420538 996520140 /nfs/dbraw/zinc/52/01/40/996520140.db2.gz CHEGQYJQNYHEFJ-QOJCHSLYSA-N 1 2 371.456 2.545 20 30 FFEDLO O=C(c1cc2cccn2cn1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084444402 996597247 /nfs/dbraw/zinc/59/72/47/996597247.db2.gz WOKLHNHYSCQDTM-DENIHFKCSA-N 1 2 370.456 2.532 20 30 FFEDLO O=C(c1cc2cccn2cn1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084444402 996597253 /nfs/dbraw/zinc/59/72/53/996597253.db2.gz WOKLHNHYSCQDTM-DENIHFKCSA-N 1 2 370.456 2.532 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)nc1C ZINC001084522901 996643163 /nfs/dbraw/zinc/64/31/63/996643163.db2.gz NTKQNYQWISCFLI-IFMALSPDSA-N 1 2 359.473 2.896 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)nc1C ZINC001084522901 996643164 /nfs/dbraw/zinc/64/31/64/996643164.db2.gz NTKQNYQWISCFLI-IFMALSPDSA-N 1 2 359.473 2.896 20 30 FFEDLO O=C(c1cccc2c[nH]nc21)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084566227 996680493 /nfs/dbraw/zinc/68/04/93/996680493.db2.gz KRFAAEICQRJGBP-TZIWHRDSSA-N 1 2 370.456 2.761 20 30 FFEDLO O=C(c1cccc2c[nH]nc21)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084566227 996680494 /nfs/dbraw/zinc/68/04/94/996680494.db2.gz KRFAAEICQRJGBP-TZIWHRDSSA-N 1 2 370.456 2.761 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccc(CC)cc3)C[C@H]21 ZINC001084577902 996691902 /nfs/dbraw/zinc/69/19/02/996691902.db2.gz AAXYEKHLQKYSRM-IEBWSBKVSA-N 1 2 369.509 2.932 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccc(CC)cc3)C[C@H]21 ZINC001084577902 996691906 /nfs/dbraw/zinc/69/19/06/996691906.db2.gz AAXYEKHLQKYSRM-IEBWSBKVSA-N 1 2 369.509 2.932 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C[C@H]21 ZINC001084672736 996820998 /nfs/dbraw/zinc/82/09/98/996820998.db2.gz LBFHRDGLIVHYEY-AXUOBQJMSA-N 1 2 362.420 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C[C@H]21 ZINC001084672736 996821008 /nfs/dbraw/zinc/82/10/08/996821008.db2.gz LBFHRDGLIVHYEY-AXUOBQJMSA-N 1 2 362.420 2.589 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001098018552 1016085749 /nfs/dbraw/zinc/08/57/49/1016085749.db2.gz VSIUTRQCAQCCPN-OCABDXPQSA-N 1 2 361.511 2.654 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001098018552 1016085758 /nfs/dbraw/zinc/08/57/58/1016085758.db2.gz VSIUTRQCAQCCPN-OCABDXPQSA-N 1 2 361.511 2.654 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084715393 997053199 /nfs/dbraw/zinc/05/31/99/997053199.db2.gz 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ICRLQJBJGQMYDZ-HLAWJBBLSA-N 1 2 362.477 2.788 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CCCOC2)C3)c(F)c1 ZINC001096561711 1016146758 /nfs/dbraw/zinc/14/67/58/1016146758.db2.gz QOCCDXPGSKMYFH-RKOGWWSCSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CCCOC2)C3)c(F)c1 ZINC001096561711 1016146763 /nfs/dbraw/zinc/14/67/63/1016146763.db2.gz QOCCDXPGSKMYFH-RKOGWWSCSA-N 1 2 371.456 2.736 20 30 FFEDLO C#CC[NH+]1CCN(Cn2ncc3cccc(OCc4ccccc4)c32)CC1 ZINC000128802930 1016149631 /nfs/dbraw/zinc/14/96/31/1016149631.db2.gz UMZYEGRDUZLFFU-UHFFFAOYSA-N 1 2 360.461 2.824 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1CC(=O)OC ZINC001144069307 997980870 /nfs/dbraw/zinc/98/08/70/997980870.db2.gz QJMXRJRTBPURRN-SFHVURJKSA-N 1 2 358.482 2.865 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1CC(=O)OC ZINC001144069307 997980886 /nfs/dbraw/zinc/98/08/86/997980886.db2.gz QJMXRJRTBPURRN-SFHVURJKSA-N 1 2 358.482 2.865 20 30 FFEDLO Cc1ccc(NC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c(N(C)C)[nH+]1 ZINC000844571074 997997027 /nfs/dbraw/zinc/99/70/27/997997027.db2.gz ZNIXYTYCDTYCOM-QGZVFWFLSA-N 1 2 353.426 2.525 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3coc(-c4cccs4)n3)[C@H]2C1 ZINC001084905106 998000220 /nfs/dbraw/zinc/00/02/20/998000220.db2.gz VPGJRBZJMDUWDU-LZWOXQAQSA-N 1 2 370.478 2.986 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@@H+](Cc3coc(-c4cccs4)n3)[C@H]2C1 ZINC001084905106 998000232 /nfs/dbraw/zinc/00/02/32/998000232.db2.gz VPGJRBZJMDUWDU-LZWOXQAQSA-N 1 2 370.478 2.986 20 30 FFEDLO N#Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](C/C(Cl)=C/Cl)[C@H]3C2)c[nH]1 ZINC001084925585 998113986 /nfs/dbraw/zinc/11/39/86/998113986.db2.gz IRDSWGYDWTZZGJ-XNGVPUGWSA-N 1 2 353.253 2.742 20 30 FFEDLO N#Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](C/C(Cl)=C/Cl)[C@H]3C2)c[nH]1 ZINC001084925585 998113996 /nfs/dbraw/zinc/11/39/96/998113996.db2.gz IRDSWGYDWTZZGJ-XNGVPUGWSA-N 1 2 353.253 2.742 20 30 FFEDLO 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ZINC000732059651 998434084 /nfs/dbraw/zinc/43/40/84/998434084.db2.gz DRCGKUQJUBSBNI-IBGZPJMESA-N 1 2 353.466 2.739 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)COC(=O)C[C@@H](C)n2cc[nH+]c2)cc1C ZINC000845276425 998460804 /nfs/dbraw/zinc/46/08/04/998460804.db2.gz BQGBMSYNJBSHBV-QGZVFWFLSA-N 1 2 368.437 2.941 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001000072535 1016222092 /nfs/dbraw/zinc/22/20/92/1016222092.db2.gz HLRYJTPEFBMJNG-YSHGAJCASA-N 1 2 370.497 2.829 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001000073102 1016222510 /nfs/dbraw/zinc/22/25/10/1016222510.db2.gz OWSARBPQIJPKAO-VLQPXKRTSA-N 1 2 370.497 2.583 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001000073102 1016222521 /nfs/dbraw/zinc/22/25/21/1016222521.db2.gz OWSARBPQIJPKAO-VLQPXKRTSA-N 1 2 370.497 2.583 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccnc(C)c3)C[C@@H]21 ZINC001085060297 998804010 /nfs/dbraw/zinc/80/40/10/998804010.db2.gz RMGPNBVEZDLGHW-ZBFHGGJFSA-N 1 2 364.287 2.835 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccnc(C)c3)C[C@@H]21 ZINC001085060297 998804014 /nfs/dbraw/zinc/80/40/14/998804014.db2.gz RMGPNBVEZDLGHW-ZBFHGGJFSA-N 1 2 364.287 2.835 20 30 FFEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719016 999613608 /nfs/dbraw/zinc/61/36/08/999613608.db2.gz HLYDESIBVXCHIH-ZVDOUQERSA-N 1 2 353.466 2.550 20 30 FFEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719016 999613609 /nfs/dbraw/zinc/61/36/09/999613609.db2.gz HLYDESIBVXCHIH-ZVDOUQERSA-N 1 2 353.466 2.550 20 30 FFEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719390 999614155 /nfs/dbraw/zinc/61/41/55/999614155.db2.gz SNZZKBHCQVJGPO-VWPQPMDRSA-N 1 2 352.478 2.530 20 30 FFEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719390 999614156 /nfs/dbraw/zinc/61/41/56/999614156.db2.gz SNZZKBHCQVJGPO-VWPQPMDRSA-N 1 2 352.478 2.530 20 30 FFEDLO N#CCOc1ccc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000741382909 999725662 /nfs/dbraw/zinc/72/56/62/999725662.db2.gz JSZRUGPPDHCOMQ-FQEVSTJZSA-N 1 2 366.417 2.533 20 30 FFEDLO N#CCOc1ccc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000741382909 999725665 /nfs/dbraw/zinc/72/56/65/999725665.db2.gz JSZRUGPPDHCOMQ-FQEVSTJZSA-N 1 2 366.417 2.533 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066369658 999745098 /nfs/dbraw/zinc/74/50/98/999745098.db2.gz RFEWFIUEAXOAMT-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066369658 999745102 /nfs/dbraw/zinc/74/51/02/999745102.db2.gz RFEWFIUEAXOAMT-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N(CCC#N)c1cccc(C)c1C ZINC000745087823 999891483 /nfs/dbraw/zinc/89/14/83/999891483.db2.gz SBMCFRHBAUZOQJ-IBGZPJMESA-N 1 2 371.481 2.968 20 30 FFEDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N(CCC#N)c1cccc(C)c1C ZINC000745087823 999891485 /nfs/dbraw/zinc/89/14/85/999891485.db2.gz SBMCFRHBAUZOQJ-IBGZPJMESA-N 1 2 371.481 2.968 20 30 FFEDLO CON=Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000745867695 999934626 /nfs/dbraw/zinc/93/46/26/999934626.db2.gz GYBIIULYUGAEQM-UHFFFAOYSA-N 1 2 352.369 2.922 20 30 FFEDLO C=CCCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001054498210 1016378281 /nfs/dbraw/zinc/37/82/81/1016378281.db2.gz WJROTUCSGBVVIZ-CWQOZTLDSA-N 1 2 370.497 2.755 20 30 FFEDLO C=CCCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001054498210 1016378288 /nfs/dbraw/zinc/37/82/88/1016378288.db2.gz WJROTUCSGBVVIZ-CWQOZTLDSA-N 1 2 370.497 2.755 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000767689174 1000137116 /nfs/dbraw/zinc/13/71/16/1000137116.db2.gz IGOGBCWENGGUEH-INIZCTEOSA-N 1 2 360.454 2.603 20 30 FFEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1Cl ZINC001108947099 1000137381 /nfs/dbraw/zinc/13/73/81/1000137381.db2.gz DSXLBVMYLAFEBQ-KBMXLJTQSA-N 1 2 367.877 2.957 20 30 FFEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1Cl ZINC001108947099 1000137383 /nfs/dbraw/zinc/13/73/83/1000137383.db2.gz DSXLBVMYLAFEBQ-KBMXLJTQSA-N 1 2 367.877 2.957 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109020541 1000151634 /nfs/dbraw/zinc/15/16/34/1000151634.db2.gz YYIZCXKBSOPDJI-JBCDFXQESA-N 1 2 373.472 2.980 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109020541 1000151635 /nfs/dbraw/zinc/15/16/35/1000151635.db2.gz YYIZCXKBSOPDJI-JBCDFXQESA-N 1 2 373.472 2.980 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(C)cc1C ZINC001109042932 1000154754 /nfs/dbraw/zinc/15/47/54/1000154754.db2.gz GVEQKVSTNPWCMK-NEWSRXKRSA-N 1 2 355.482 2.930 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(C)cc1C ZINC001109042932 1000154756 /nfs/dbraw/zinc/15/47/56/1000154756.db2.gz GVEQKVSTNPWCMK-NEWSRXKRSA-N 1 2 355.482 2.930 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC001109043205 1000155101 /nfs/dbraw/zinc/15/51/01/1000155101.db2.gz MQBUPLIYJYUSOD-NBMRYCAZSA-N 1 2 359.445 2.840 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC001109043205 1000155102 /nfs/dbraw/zinc/15/51/02/1000155102.db2.gz MQBUPLIYJYUSOD-NBMRYCAZSA-N 1 2 359.445 2.840 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109038291 1000157710 /nfs/dbraw/zinc/15/77/10/1000157710.db2.gz PGNKGDRDDFETBI-JBCDFXQESA-N 1 2 371.456 2.900 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109038291 1000157711 /nfs/dbraw/zinc/15/77/11/1000157711.db2.gz PGNKGDRDDFETBI-JBCDFXQESA-N 1 2 371.456 2.900 20 30 FFEDLO CO[C@H](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109185331 1000180801 /nfs/dbraw/zinc/18/08/01/1000180801.db2.gz BFWLASGFFCXUND-OLQIXAPSSA-N 1 2 359.445 2.734 20 30 FFEDLO CO[C@H](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109185331 1000180802 /nfs/dbraw/zinc/18/08/02/1000180802.db2.gz BFWLASGFFCXUND-OLQIXAPSSA-N 1 2 359.445 2.734 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)/C=C/c2ccc[nH]2)C3)c1 ZINC001109196111 1000185055 /nfs/dbraw/zinc/18/50/55/1000185055.db2.gz LSCDSAMCSQKPLZ-GETUCNAESA-N 1 2 364.424 2.960 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)/C=C/c2ccc[nH]2)C3)c1 ZINC001109196111 1000185057 /nfs/dbraw/zinc/18/50/57/1000185057.db2.gz LSCDSAMCSQKPLZ-GETUCNAESA-N 1 2 364.424 2.960 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)C1CC1 ZINC001109227659 1000190603 /nfs/dbraw/zinc/19/06/03/1000190603.db2.gz PNCZALNXDNOGTI-FUMNGEBKSA-N 1 2 372.896 2.838 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)C1CC1 ZINC001109227659 1000190605 /nfs/dbraw/zinc/19/06/05/1000190605.db2.gz PNCZALNXDNOGTI-FUMNGEBKSA-N 1 2 372.896 2.838 20 30 FFEDLO C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109262605 1000219277 /nfs/dbraw/zinc/21/92/77/1000219277.db2.gz OOTFYWLMGXQCPU-NQYYFHDYSA-N 1 2 373.541 2.595 20 30 FFEDLO C[C@@H](C(=O)NC1CCCCC1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109262605 1000219284 /nfs/dbraw/zinc/21/92/84/1000219284.db2.gz OOTFYWLMGXQCPU-NQYYFHDYSA-N 1 2 373.541 2.595 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)s1 ZINC001109262524 1000219479 /nfs/dbraw/zinc/21/94/79/1000219479.db2.gz MVWWPQLRRAIEKB-SNPRPXQTSA-N 1 2 352.887 2.663 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)s1 ZINC001109262524 1000219482 /nfs/dbraw/zinc/21/94/82/1000219482.db2.gz MVWWPQLRRAIEKB-SNPRPXQTSA-N 1 2 352.887 2.663 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C(F)F)CC2)C3)c1 ZINC001109287628 1000229780 /nfs/dbraw/zinc/22/97/80/1000229780.db2.gz IGDRZWYVTKPPPF-KBMXLJTQSA-N 1 2 363.383 2.964 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C(F)F)CC2)C3)c1 ZINC001109287628 1000229784 /nfs/dbraw/zinc/22/97/84/1000229784.db2.gz IGDRZWYVTKPPPF-KBMXLJTQSA-N 1 2 363.383 2.964 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1CCCC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001091289290 1000375798 /nfs/dbraw/zinc/37/57/98/1000375798.db2.gz ZQLLLGZOUJJCAW-IAGOWNOFSA-N 1 2 368.485 2.786 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001091291519 1000377429 /nfs/dbraw/zinc/37/74/29/1000377429.db2.gz GYSKPLGRVOMCKO-FVQBIDKESA-N 1 2 356.474 2.805 20 30 FFEDLO Cc1ccc(C#N)c(N[C@@H]2CCCC[C@H]2NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001091298981 1000384304 /nfs/dbraw/zinc/38/43/04/1000384304.db2.gz VKJQCNATFXWNCG-FSPWUOQZSA-N 1 2 366.469 2.703 20 30 FFEDLO Cc1ccc(C#N)c(N[C@@H]2CCCC[C@H]2NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001091298981 1000384309 /nfs/dbraw/zinc/38/43/09/1000384309.db2.gz VKJQCNATFXWNCG-FSPWUOQZSA-N 1 2 366.469 2.703 20 30 FFEDLO N#Cc1c(F)cccc1N[C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001091299876 1000384866 /nfs/dbraw/zinc/38/48/66/1000384866.db2.gz MWGBSQLPRNQFFN-QZTJIDSGSA-N 1 2 355.417 2.893 20 30 FFEDLO N#Cc1c(F)cccc1N[C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001091299876 1000384869 /nfs/dbraw/zinc/38/48/69/1000384869.db2.gz MWGBSQLPRNQFFN-QZTJIDSGSA-N 1 2 355.417 2.893 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC(C)C)s1)C2 ZINC001109410771 1000395656 /nfs/dbraw/zinc/39/56/56/1000395656.db2.gz UQKZGVAXJIBRJC-NJAFHUGGSA-N 1 2 360.523 2.932 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC(C)C)s1)C2 ZINC001109410771 1000395659 /nfs/dbraw/zinc/39/56/59/1000395659.db2.gz UQKZGVAXJIBRJC-NJAFHUGGSA-N 1 2 360.523 2.932 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](CNc2ncnc3c2C[N@H+](C)CC3)[C@H](C)C1 ZINC001054551148 1016410310 /nfs/dbraw/zinc/41/03/10/1016410310.db2.gz PQOYHLLOPBUJHH-ZOCZFRKYSA-N 1 2 371.529 2.573 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](CNc2ncnc3c2C[N@@H+](C)CC3)[C@H](C)C1 ZINC001054551148 1016410318 /nfs/dbraw/zinc/41/03/18/1016410318.db2.gz PQOYHLLOPBUJHH-ZOCZFRKYSA-N 1 2 371.529 2.573 20 30 FFEDLO NC(=O)c1ccc(C(=[NH2+])Nc2cc(C=NO)cc(C(F)(F)F)c2)cc1 ZINC001171258914 1000497510 /nfs/dbraw/zinc/49/75/10/1000497510.db2.gz PMTMCYQHTKIQGB-GZIVZEMBSA-N 1 2 350.300 2.649 20 30 FFEDLO C#CCOc1ccccc1C[NH+]1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000769461887 1000526132 /nfs/dbraw/zinc/52/61/32/1000526132.db2.gz BGFDTQMAIZYXRG-UHFFFAOYSA-N 1 2 368.481 2.697 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3ccco3)o1)C2 ZINC001109507113 1000568746 /nfs/dbraw/zinc/56/87/46/1000568746.db2.gz DTNAVFSNFCNYOF-PMPSAXMXSA-N 1 2 354.406 2.525 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3ccco3)o1)C2 ZINC001109507113 1000568751 /nfs/dbraw/zinc/56/87/51/1000568751.db2.gz DTNAVFSNFCNYOF-PMPSAXMXSA-N 1 2 354.406 2.525 20 30 FFEDLO Cn1ncc2c1nc(N[NH+]=Cc1ccc(N3CCCCC3)cc1)[nH]c2=O ZINC000769820019 1000599431 /nfs/dbraw/zinc/59/94/31/1000599431.db2.gz TVMCMPCMYADUGT-UHFFFAOYSA-N 1 2 351.414 2.505 20 30 FFEDLO Cc1cc(CO[NH+]=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)nn1C ZINC000769843056 1000620085 /nfs/dbraw/zinc/62/00/85/1000620085.db2.gz VMFYYCMBZBHYMA-UHFFFAOYSA-N 1 2 373.457 2.590 20 30 FFEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(CC)CC)CC1 ZINC001109681618 1000834665 /nfs/dbraw/zinc/83/46/65/1000834665.db2.gz BCTFULYWFUPPME-SQNIBIBYSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(CC)CC)CC1 ZINC001109681618 1000834676 /nfs/dbraw/zinc/83/46/76/1000834676.db2.gz BCTFULYWFUPPME-SQNIBIBYSA-N 1 2 361.530 2.759 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109692379 1000863762 /nfs/dbraw/zinc/86/37/62/1000863762.db2.gz VCVJEIWMVUAMGN-GTAWCEEGSA-N 1 2 373.472 2.980 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109692379 1000863770 /nfs/dbraw/zinc/86/37/70/1000863770.db2.gz VCVJEIWMVUAMGN-GTAWCEEGSA-N 1 2 373.472 2.980 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091626960 1000877790 /nfs/dbraw/zinc/87/77/90/1000877790.db2.gz RMDKJNKXFYEVMM-QLFBSQMISA-N 1 2 356.474 2.662 20 30 FFEDLO Cc1nc(N[C@@H]2CC[C@H](CNC(=O)C[C@@H](C)n3cc[nH+]c3)C2)ccc1C#N ZINC001091643684 1000936614 /nfs/dbraw/zinc/93/66/14/1000936614.db2.gz OMMQXDJJQDXRIA-UWWQBHOKSA-N 1 2 366.469 2.806 20 30 FFEDLO C[C@]12CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2 ZINC001091691076 1001062034 /nfs/dbraw/zinc/06/20/34/1001062034.db2.gz PBUBXOMEJNZBKM-INMHGKMJSA-N 1 2 369.362 2.739 20 30 FFEDLO C[C@]12CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001091691076 1001062037 /nfs/dbraw/zinc/06/20/37/1001062037.db2.gz PBUBXOMEJNZBKM-INMHGKMJSA-N 1 2 369.362 2.739 20 30 FFEDLO C[C@]12CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2 ZINC001091691076 1001062043 /nfs/dbraw/zinc/06/20/43/1001062043.db2.gz PBUBXOMEJNZBKM-INMHGKMJSA-N 1 2 369.362 2.739 20 30 FFEDLO C[C@]12CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001091691076 1001062049 /nfs/dbraw/zinc/06/20/49/1001062049.db2.gz PBUBXOMEJNZBKM-INMHGKMJSA-N 1 2 369.362 2.739 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@H]2C[N@@H+]([C@H](C)c3csnn3)C[C@@]2(C)C1 ZINC001091740873 1001186880 /nfs/dbraw/zinc/18/68/80/1001186880.db2.gz NHUDZTLZGSIASN-CLCXKQKWSA-N 1 2 371.510 2.681 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@H]2C[N@H+]([C@H](C)c3csnn3)C[C@@]2(C)C1 ZINC001091740873 1001186884 /nfs/dbraw/zinc/18/68/84/1001186884.db2.gz NHUDZTLZGSIASN-CLCXKQKWSA-N 1 2 371.510 2.681 20 30 FFEDLO COc1ccc(C#N)cc1COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000772276509 1001357159 /nfs/dbraw/zinc/35/71/59/1001357159.db2.gz MZVXMTREJIZQEI-HXUWFJFHSA-N 1 2 366.417 2.511 20 30 FFEDLO COc1ccc(C#N)cc1COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000772276509 1001357165 /nfs/dbraw/zinc/35/71/65/1001357165.db2.gz MZVXMTREJIZQEI-HXUWFJFHSA-N 1 2 366.417 2.511 20 30 FFEDLO COCc1cccc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000746558530 1001474454 /nfs/dbraw/zinc/47/44/54/1001474454.db2.gz PIEZAILULDXZRV-UHFFFAOYSA-N 1 2 369.465 2.502 20 30 FFEDLO C=C(C)COc1ccccc1C[NH+]1CC2(C1)COCC(=O)N2CCCC ZINC001276192237 1016504570 /nfs/dbraw/zinc/50/45/70/1016504570.db2.gz IWEZDPBXEHWDLQ-UHFFFAOYSA-N 1 2 358.482 2.855 20 30 FFEDLO C[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000787716286 1001709479 /nfs/dbraw/zinc/70/94/79/1001709479.db2.gz MFKDXPKILMGWGR-WMZOPIPTSA-N 1 2 369.465 2.535 20 30 FFEDLO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000787716286 1001709483 /nfs/dbraw/zinc/70/94/83/1001709483.db2.gz MFKDXPKILMGWGR-WMZOPIPTSA-N 1 2 369.465 2.535 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CCN1c1nc(C)ccc1C#N ZINC001091828447 1001978970 /nfs/dbraw/zinc/97/89/70/1001978970.db2.gz BOSHLPGRYMUOOM-BPQIPLTHSA-N 1 2 366.469 2.583 20 30 FFEDLO CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110320703 1002016804 /nfs/dbraw/zinc/01/68/04/1002016804.db2.gz HTJAODHSOIPIKR-QRQLOZEOSA-N 1 2 359.445 2.736 20 30 FFEDLO CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110320703 1002016814 /nfs/dbraw/zinc/01/68/14/1002016814.db2.gz HTJAODHSOIPIKR-QRQLOZEOSA-N 1 2 359.445 2.736 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(=O)oc3cc(OC)ccc23)n1 ZINC000789325250 1002046374 /nfs/dbraw/zinc/04/63/74/1002046374.db2.gz AHQYGVUJXXIXET-UHFFFAOYSA-N 1 2 351.406 2.653 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(=O)oc3cc(OC)ccc23)n1 ZINC000789325250 1002046385 /nfs/dbraw/zinc/04/63/85/1002046385.db2.gz AHQYGVUJXXIXET-UHFFFAOYSA-N 1 2 351.406 2.653 20 30 FFEDLO CC1(C)C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CCO1 ZINC001183838969 1002406455 /nfs/dbraw/zinc/40/64/55/1002406455.db2.gz OXTOVSMUGZXQCB-RTBURBONSA-N 1 2 355.482 2.987 20 30 FFEDLO CC1(C)C[C@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)CCO1 ZINC001183838969 1002406463 /nfs/dbraw/zinc/40/64/63/1002406463.db2.gz OXTOVSMUGZXQCB-RTBURBONSA-N 1 2 355.482 2.987 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cccnc2OCc2ccccc2F)CC1 ZINC000790550832 1002409735 /nfs/dbraw/zinc/40/97/35/1002409735.db2.gz BHMJIMPOFSAZQB-UHFFFAOYSA-N 1 2 367.424 2.581 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccnc(C)n2)C1 ZINC001092315571 1002667510 /nfs/dbraw/zinc/66/75/10/1002667510.db2.gz GRLUJQGKRDCBMF-GVDBMIGSSA-N 1 2 368.485 2.527 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110351859 1002673787 /nfs/dbraw/zinc/67/37/87/1002673787.db2.gz LDKBTFQNIGRAGT-JRJVTICQSA-N 1 2 373.472 2.980 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110351859 1002673793 /nfs/dbraw/zinc/67/37/93/1002673793.db2.gz LDKBTFQNIGRAGT-JRJVTICQSA-N 1 2 373.472 2.980 20 30 FFEDLO COc1ccc([C@@H](NC(=O)CO[NH+]=C(N)c2ccc(F)cc2)C2CC2)cc1 ZINC000774800326 1002768877 /nfs/dbraw/zinc/76/88/77/1002768877.db2.gz WJFIAMBBUBMSTR-IBGZPJMESA-N 1 2 371.412 2.739 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(F)nc2)C3)s1 ZINC001096888259 1016684087 /nfs/dbraw/zinc/68/40/87/1016684087.db2.gz KHOMWJKCAQEMJF-WQVCFCJDSA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(F)nc2)C3)s1 ZINC001096888259 1016684096 /nfs/dbraw/zinc/68/40/96/1016684096.db2.gz KHOMWJKCAQEMJF-WQVCFCJDSA-N 1 2 356.426 2.689 20 30 FFEDLO COc1ccc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000747067621 1002978806 /nfs/dbraw/zinc/97/88/06/1002978806.db2.gz CDRYPNGINBREGE-FQEVSTJZSA-N 1 2 366.417 2.511 20 30 FFEDLO COc1ccc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000747067621 1002978821 /nfs/dbraw/zinc/97/88/21/1002978821.db2.gz CDRYPNGINBREGE-FQEVSTJZSA-N 1 2 366.417 2.511 20 30 FFEDLO CCCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110364594 1002991603 /nfs/dbraw/zinc/99/16/03/1002991603.db2.gz CPNSXJNMMVJMGM-XLNTUCKNSA-N 1 2 355.482 2.985 20 30 FFEDLO CCCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110364594 1002991607 /nfs/dbraw/zinc/99/16/07/1002991607.db2.gz CPNSXJNMMVJMGM-XLNTUCKNSA-N 1 2 355.482 2.985 20 30 FFEDLO N#Cc1cccc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1F ZINC000774961494 1003139259 /nfs/dbraw/zinc/13/92/59/1003139259.db2.gz PSOMYXOGFRUUQK-GOSISDBHSA-N 1 2 354.381 2.642 20 30 FFEDLO N#Cc1cccc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1F ZINC000774961494 1003139263 /nfs/dbraw/zinc/13/92/63/1003139263.db2.gz PSOMYXOGFRUUQK-GOSISDBHSA-N 1 2 354.381 2.642 20 30 FFEDLO Cc1cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(C#N)c2)C3)nc(C(C)C)[nH+]1 ZINC001054917268 1016739405 /nfs/dbraw/zinc/73/94/05/1016739405.db2.gz WZOUWDUONXPNNR-IKGGRYGDSA-N 1 2 364.453 2.648 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001086611431 1003288189 /nfs/dbraw/zinc/28/81/89/1003288189.db2.gz VAYDJCKGZSGPMN-FQBWVUSXSA-N 1 2 360.885 2.891 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001086611431 1003288191 /nfs/dbraw/zinc/28/81/91/1003288191.db2.gz VAYDJCKGZSGPMN-FQBWVUSXSA-N 1 2 360.885 2.891 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001092622248 1003323836 /nfs/dbraw/zinc/32/38/36/1003323836.db2.gz BXSPOOLKJGILKS-WRWLIDTKSA-N 1 2 360.502 2.910 20 30 FFEDLO C=CCc1c(F)c(F)c(C(=O)NCc2c[nH+]cn2CCOC)c(F)c1F ZINC001186738414 1003403589 /nfs/dbraw/zinc/40/35/89/1003403589.db2.gz ZJCQVIGNPOJXDP-UHFFFAOYSA-N 1 2 371.334 2.744 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H]3CCN(C(=O)CCC(C)C)[C@@H]3C2)c1 ZINC001186784752 1003424377 /nfs/dbraw/zinc/42/43/77/1003424377.db2.gz BLPVZCZLMHXDST-AZUAARDMSA-N 1 2 367.493 2.575 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)CCC(C)C)[C@@H]3C2)c1 ZINC001186784752 1003424381 /nfs/dbraw/zinc/42/43/81/1003424381.db2.gz BLPVZCZLMHXDST-AZUAARDMSA-N 1 2 367.493 2.575 20 30 FFEDLO CC(C)(C)C[C@@H]1CN(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C(=O)O1 ZINC000793592593 1003433334 /nfs/dbraw/zinc/43/33/34/1003433334.db2.gz SIOFEBZTHVGEAZ-JKSUJKDBSA-N 1 2 358.442 2.621 20 30 FFEDLO CC(C)(C)C[C@@H]1CN(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C(=O)O1 ZINC000793592593 1003433341 /nfs/dbraw/zinc/43/33/41/1003433341.db2.gz SIOFEBZTHVGEAZ-JKSUJKDBSA-N 1 2 358.442 2.621 20 30 FFEDLO N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)cc2F)c[nH]1 ZINC001096972285 1016789017 /nfs/dbraw/zinc/78/90/17/1016789017.db2.gz MAZOEDOLISBSDV-NXHRZFHOSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)cc2F)c[nH]1 ZINC001096972285 1016789024 /nfs/dbraw/zinc/78/90/24/1016789024.db2.gz MAZOEDOLISBSDV-NXHRZFHOSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(F)ccc2F)c[nH]1 ZINC001096971921 1016790102 /nfs/dbraw/zinc/79/01/02/1016790102.db2.gz AOFGPYKLTCJCPO-NXHRZFHOSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(F)ccc2F)c[nH]1 ZINC001096971921 1016790111 /nfs/dbraw/zinc/79/01/11/1016790111.db2.gz AOFGPYKLTCJCPO-NXHRZFHOSA-N 1 2 356.376 2.700 20 30 FFEDLO C=C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C)n(C)n1)c1ccccc1 ZINC001110136839 1003602762 /nfs/dbraw/zinc/60/27/62/1003602762.db2.gz QXEBJSPHZKZBFQ-CGXNFDGLSA-N 1 2 364.493 2.920 20 30 FFEDLO C=C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C)n(C)n1)c1ccccc1 ZINC001110136839 1003602767 /nfs/dbraw/zinc/60/27/67/1003602767.db2.gz QXEBJSPHZKZBFQ-CGXNFDGLSA-N 1 2 364.493 2.920 20 30 FFEDLO C=CC[N@@H+](Cc1ccccc1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000102389775 1003726371 /nfs/dbraw/zinc/72/63/71/1003726371.db2.gz DQTNJXQJXAFNOT-UHFFFAOYSA-N 1 2 374.444 2.968 20 30 FFEDLO C=CC[N@H+](Cc1ccccc1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000102389775 1003726373 /nfs/dbraw/zinc/72/63/73/1003726373.db2.gz DQTNJXQJXAFNOT-UHFFFAOYSA-N 1 2 374.444 2.968 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O)CC(C)(C)C ZINC001196392020 1003759909 /nfs/dbraw/zinc/75/99/09/1003759909.db2.gz LNKQZIKGFLIDSG-KFKAGJAMSA-N 1 2 357.498 2.682 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O)CC(C)(C)C ZINC001196392020 1003759912 /nfs/dbraw/zinc/75/99/12/1003759912.db2.gz LNKQZIKGFLIDSG-KFKAGJAMSA-N 1 2 357.498 2.682 20 30 FFEDLO Cc1c(Cl)ccc(S(=O)(=O)NC2(C#N)CC[NH+](C)CC2)c1Cl ZINC001191777891 1003938351 /nfs/dbraw/zinc/93/83/51/1003938351.db2.gz WKURDFMARITMIB-UHFFFAOYSA-N 1 2 362.282 2.568 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC001196820311 1003981838 /nfs/dbraw/zinc/98/18/38/1003981838.db2.gz BXSHNUFSZGVWHX-UHFFFAOYSA-N 1 2 364.371 2.835 20 30 FFEDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC001191918519 1003995707 /nfs/dbraw/zinc/99/57/07/1003995707.db2.gz JUFYQDWPPOXKFZ-UHFFFAOYSA-N 1 2 356.376 2.919 20 30 FFEDLO CCC(=CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O)CC ZINC001192195713 1004081639 /nfs/dbraw/zinc/08/16/39/1004081639.db2.gz SIPDQBVFVUPQTP-RTBURBONSA-N 1 2 360.885 2.599 20 30 FFEDLO CCC(=CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O)CC ZINC001192195713 1004081643 /nfs/dbraw/zinc/08/16/43/1004081643.db2.gz SIPDQBVFVUPQTP-RTBURBONSA-N 1 2 360.885 2.599 20 30 FFEDLO C#Cc1cncc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC000806309402 1004282222 /nfs/dbraw/zinc/28/22/22/1004282222.db2.gz FJERBNWFNMEODC-UHFFFAOYSA-N 1 2 369.852 2.553 20 30 FFEDLO N#Cc1cccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC001197722511 1004339020 /nfs/dbraw/zinc/33/90/20/1004339020.db2.gz ABVKVEOHSJRGAH-UHFFFAOYSA-N 1 2 366.490 2.877 20 30 FFEDLO CCCCCC[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001197805384 1004371750 /nfs/dbraw/zinc/37/17/50/1004371750.db2.gz RMNWPNLCASGKSX-GUDVDZBRSA-N 1 2 361.461 2.528 20 30 FFEDLO CCCCCC[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001197805384 1004371759 /nfs/dbraw/zinc/37/17/59/1004371759.db2.gz RMNWPNLCASGKSX-GUDVDZBRSA-N 1 2 361.461 2.528 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2Cc3ccccc3OC[C@H]2C)c1 ZINC001193307862 1004446919 /nfs/dbraw/zinc/44/69/19/1004446919.db2.gz BUMBQUMNJJIULY-OAHLLOKOSA-N 1 2 363.417 2.599 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2Cc3ccccc3OC[C@H]2C)c1 ZINC001193307862 1004446921 /nfs/dbraw/zinc/44/69/21/1004446921.db2.gz BUMBQUMNJJIULY-OAHLLOKOSA-N 1 2 363.417 2.599 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cnc(C)cn2)C[C@H]1O ZINC001198087919 1004476542 /nfs/dbraw/zinc/47/65/42/1004476542.db2.gz OZRASSUTGZETEE-BHIYHBOVSA-N 1 2 362.518 2.758 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cnc(C)cn2)C[C@H]1O ZINC001198087919 1004476548 /nfs/dbraw/zinc/47/65/48/1004476548.db2.gz OZRASSUTGZETEE-BHIYHBOVSA-N 1 2 362.518 2.758 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1O ZINC001198103936 1004497044 /nfs/dbraw/zinc/49/70/44/1004497044.db2.gz UUMDVOXUUAVRBO-IAGOWNOFSA-N 1 2 353.532 2.945 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1O ZINC001198103936 1004497049 /nfs/dbraw/zinc/49/70/49/1004497049.db2.gz UUMDVOXUUAVRBO-IAGOWNOFSA-N 1 2 353.532 2.945 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCCc1ccc(C#N)cc1 ZINC001131109203 1004729253 /nfs/dbraw/zinc/72/92/53/1004729253.db2.gz MJRUJZWUJUPZBY-UHFFFAOYSA-N 1 2 354.360 2.854 20 30 FFEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccccc1OC ZINC001198908708 1004790265 /nfs/dbraw/zinc/79/02/65/1004790265.db2.gz LZADSNCANARIPZ-KBEGMRNHSA-N 1 2 364.873 2.762 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(=C)Cl)c1ccccc1OC ZINC001198909015 1004791017 /nfs/dbraw/zinc/79/10/17/1004791017.db2.gz UCKWUYHFQGBMAS-ZACQAIPSSA-N 1 2 364.873 2.786 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCCCC1 ZINC001110537949 1004989589 /nfs/dbraw/zinc/98/95/89/1004989589.db2.gz GZCYQTQVRMYGDN-AQNXPRMDSA-N 1 2 373.541 2.596 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCCCC1 ZINC001110537949 1004989593 /nfs/dbraw/zinc/98/95/93/1004989593.db2.gz GZCYQTQVRMYGDN-AQNXPRMDSA-N 1 2 373.541 2.596 20 30 FFEDLO C=CCSc1ncccc1C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001199736202 1005025516 /nfs/dbraw/zinc/02/55/16/1005025516.db2.gz HZUFEZSZCRAVJC-UHFFFAOYSA-N 1 2 368.506 2.755 20 30 FFEDLO CCOC(=O)Cc1c(C#N)c(Nc2ccc(N)[nH+]c2)sc1C(=O)OCC ZINC001201276053 1005193951 /nfs/dbraw/zinc/19/39/51/1005193951.db2.gz POXLPIDCDZDONC-UHFFFAOYSA-N 1 2 374.422 2.623 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C(F)F)CC2)C3)ccc1F ZINC001110563424 1005204966 /nfs/dbraw/zinc/20/49/66/1005204966.db2.gz DTISALCXXPJYRQ-BMFZPTHFSA-N 1 2 363.383 2.964 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C(F)F)CC2)C3)ccc1F ZINC001110563424 1005204969 /nfs/dbraw/zinc/20/49/69/1005204969.db2.gz DTISALCXXPJYRQ-BMFZPTHFSA-N 1 2 363.383 2.964 20 30 FFEDLO Cn1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)C#CC(C)(C)C)C2)n1 ZINC001488884709 1005377991 /nfs/dbraw/zinc/37/79/91/1005377991.db2.gz HSXPTLZWUQNUMT-VQTJNVASSA-N 1 2 364.493 2.554 20 30 FFEDLO Cn1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)C#CC(C)(C)C)C2)n1 ZINC001488884709 1005377993 /nfs/dbraw/zinc/37/79/93/1005377993.db2.gz HSXPTLZWUQNUMT-VQTJNVASSA-N 1 2 364.493 2.554 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001489467823 1005484651 /nfs/dbraw/zinc/48/46/51/1005484651.db2.gz RKCUIMSUUULRKB-CXAGYDPISA-N 1 2 354.454 2.742 20 30 FFEDLO Cc1nc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC#Cc2ccccc2)C3)c(C)o1 ZINC001111442260 1016985024 /nfs/dbraw/zinc/98/50/24/1016985024.db2.gz IFCGRMRMFFBCDD-SBHAEUEKSA-N 1 2 363.461 2.955 20 30 FFEDLO Cc1nc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC#Cc2ccccc2)C3)c(C)o1 ZINC001111442260 1016985035 /nfs/dbraw/zinc/98/50/35/1016985035.db2.gz IFCGRMRMFFBCDD-SBHAEUEKSA-N 1 2 363.461 2.955 20 30 FFEDLO C#CCCCCC(=O)N1CCCC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001490139071 1005664961 /nfs/dbraw/zinc/66/49/61/1005664961.db2.gz CSEWSKBCHBAWGD-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO C#CCCCCC(=O)N1CCCC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001490139071 1005664963 /nfs/dbraw/zinc/66/49/63/1005664963.db2.gz CSEWSKBCHBAWGD-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccn4c[nH+]cc4c2)C3)cc1 ZINC001095695087 1017007373 /nfs/dbraw/zinc/00/73/73/1017007373.db2.gz HUGFDXXWYFFJOR-GIVPXCGWSA-N 1 2 371.444 2.741 20 30 FFEDLO N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccn4c[nH+]cc4c2)C3)cc1 ZINC001095695087 1017007399 /nfs/dbraw/zinc/00/73/99/1017007399.db2.gz HUGFDXXWYFFJOR-GIVPXCGWSA-N 1 2 371.444 2.741 20 30 FFEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000852330743 1005982355 /nfs/dbraw/zinc/98/23/55/1005982355.db2.gz FXRKZBSJIOGXCU-FQEVSTJZSA-N 1 2 367.428 2.689 20 30 FFEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000852330743 1005982363 /nfs/dbraw/zinc/98/23/63/1005982363.db2.gz FXRKZBSJIOGXCU-FQEVSTJZSA-N 1 2 367.428 2.689 20 30 FFEDLO C=CCOCCCNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000852564018 1006083598 /nfs/dbraw/zinc/08/35/98/1006083598.db2.gz JTPYHSSWQVIUPA-UHFFFAOYSA-N 1 2 360.502 2.613 20 30 FFEDLO N#CCn1c(C[NH+]2CCC([C@H]3CCCCO3)CC2)nc2ccccc2c1=O ZINC000852594479 1006094106 /nfs/dbraw/zinc/09/41/06/1006094106.db2.gz NILOBOCUYZRWBD-LJQANCHMSA-N 1 2 366.465 2.701 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(Nc2cccc(F)c2C#N)CC1 ZINC001057427999 1017030235 /nfs/dbraw/zinc/03/02/35/1017030235.db2.gz HOKYTDVTMMKREA-HUUCEWRRSA-N 1 2 367.428 2.637 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC001187881811 1006306807 /nfs/dbraw/zinc/30/68/07/1006306807.db2.gz CZGRENVJAULPPK-QWQRMKEZSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC001187881811 1006306819 /nfs/dbraw/zinc/30/68/19/1006306819.db2.gz CZGRENVJAULPPK-QWQRMKEZSA-N 1 2 364.848 2.550 20 30 FFEDLO CCCCCCCCS(=O)(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001188030466 1006386503 /nfs/dbraw/zinc/38/65/03/1006386503.db2.gz NZBMLXHOWIYJFB-SFHVURJKSA-N 1 2 353.532 2.936 20 30 FFEDLO CCCCCCCCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001188030466 1006386511 /nfs/dbraw/zinc/38/65/11/1006386511.db2.gz NZBMLXHOWIYJFB-SFHVURJKSA-N 1 2 353.532 2.936 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(CC(F)(F)F)n3)C[C@H]21 ZINC001188081180 1006401583 /nfs/dbraw/zinc/40/15/83/1006401583.db2.gz YWQKQKAGPLXRJJ-GOEBONIOSA-N 1 2 370.419 2.834 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(CC(F)(F)F)n3)C[C@H]21 ZINC001188081180 1006401590 /nfs/dbraw/zinc/40/15/90/1006401590.db2.gz YWQKQKAGPLXRJJ-GOEBONIOSA-N 1 2 370.419 2.834 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001188057353 1006413453 /nfs/dbraw/zinc/41/34/53/1006413453.db2.gz ZQZBHBZORHBBLU-FUHWJXTLSA-N 1 2 355.482 2.760 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001188057353 1006413460 /nfs/dbraw/zinc/41/34/60/1006413460.db2.gz ZQZBHBZORHBBLU-FUHWJXTLSA-N 1 2 355.482 2.760 20 30 FFEDLO N#Cc1ccc(NC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CCCC2)cn1 ZINC001110685120 1006813538 /nfs/dbraw/zinc/81/35/38/1006813538.db2.gz JBYXTEVLIPTEAG-KURKYZTESA-N 1 2 364.453 2.567 20 30 FFEDLO N#Cc1ccc(NC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CCCC2)cn1 ZINC001110685120 1006813550 /nfs/dbraw/zinc/81/35/50/1006813550.db2.gz JBYXTEVLIPTEAG-KURKYZTESA-N 1 2 364.453 2.567 20 30 FFEDLO CCCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110415881 1007247204 /nfs/dbraw/zinc/24/72/04/1007247204.db2.gz DLPIFPZANXTLAQ-QRQLOZEOSA-N 1 2 359.445 2.736 20 30 FFEDLO CCCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110415881 1007247216 /nfs/dbraw/zinc/24/72/16/1007247216.db2.gz DLPIFPZANXTLAQ-QRQLOZEOSA-N 1 2 359.445 2.736 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(F)cc(F)c2)[nH]1 ZINC001095327809 1007305961 /nfs/dbraw/zinc/30/59/61/1007305961.db2.gz HLQJGHHJMJJHED-NJAFHUGGSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(F)cc(F)c2)[nH]1 ZINC001095327809 1007305973 /nfs/dbraw/zinc/30/59/73/1007305973.db2.gz HLQJGHHJMJJHED-NJAFHUGGSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1cc(C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)ccc1F ZINC000817188061 1007470681 /nfs/dbraw/zinc/47/06/81/1007470681.db2.gz BMXSOFHLUPPDRE-UHFFFAOYSA-N 1 2 354.381 2.887 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001190424900 1007635938 /nfs/dbraw/zinc/63/59/38/1007635938.db2.gz HXZDAXGHLLOGFM-DOTOQJQBSA-N 1 2 361.486 2.598 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001190424900 1007635943 /nfs/dbraw/zinc/63/59/43/1007635943.db2.gz HXZDAXGHLLOGFM-DOTOQJQBSA-N 1 2 361.486 2.598 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001190441369 1007640000 /nfs/dbraw/zinc/64/00/00/1007640000.db2.gz SKOUPFKUVMVDAL-JKSUJKDBSA-N 1 2 361.486 2.598 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001190441369 1007640009 /nfs/dbraw/zinc/64/00/09/1007640009.db2.gz SKOUPFKUVMVDAL-JKSUJKDBSA-N 1 2 361.486 2.598 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001190440549 1007640894 /nfs/dbraw/zinc/64/08/94/1007640894.db2.gz JEYRCXJMDRTIOV-JLJPHGGASA-N 1 2 361.511 2.644 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001190440549 1007640898 /nfs/dbraw/zinc/64/08/98/1007640898.db2.gz JEYRCXJMDRTIOV-JLJPHGGASA-N 1 2 361.511 2.644 20 30 FFEDLO C=CCC1(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC001190793900 1007786502 /nfs/dbraw/zinc/78/65/02/1007786502.db2.gz KMVRYTLSBRYRPL-UHFFFAOYSA-N 1 2 352.475 2.772 20 30 FFEDLO C=CCC1(S(=O)(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC001190793900 1007786512 /nfs/dbraw/zinc/78/65/12/1007786512.db2.gz KMVRYTLSBRYRPL-UHFFFAOYSA-N 1 2 352.475 2.772 20 30 FFEDLO CC[C@H](C#N)Oc1cc(CNC(=O)c2cccc3[nH+]ccn32)ccc1OC ZINC000776920782 1008073321 /nfs/dbraw/zinc/07/33/21/1008073321.db2.gz ICWLHPNALKFELN-OAHLLOKOSA-N 1 2 364.405 2.954 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCCNS(=O)(=O)c1ccc(C)cc1 ZINC000820619319 1008352461 /nfs/dbraw/zinc/35/24/61/1008352461.db2.gz IZZFBKGILVVFFM-UHFFFAOYSA-N 1 2 373.478 2.573 20 30 FFEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1nc2c(cc1C#N)COCC2 ZINC001206497990 1032313585 /nfs/dbraw/zinc/31/35/85/1032313585.db2.gz YZSNZODCOWGDEU-UHFFFAOYSA-N 1 2 365.433 2.534 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(C)cc2F)C[C@H]1C ZINC001206509679 1032319982 /nfs/dbraw/zinc/31/99/82/1032319982.db2.gz RXIBVPHSIGFMOR-IIDMSEBBSA-N 1 2 361.461 2.864 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(C)cc2F)C[C@H]1C ZINC001206509679 1032319990 /nfs/dbraw/zinc/31/99/90/1032319990.db2.gz RXIBVPHSIGFMOR-IIDMSEBBSA-N 1 2 361.461 2.864 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(F)cc3)o2)C[C@H]1C ZINC001206508952 1032320089 /nfs/dbraw/zinc/32/00/89/1032320089.db2.gz ATFFAYNCDKGXPB-CZUORRHYSA-N 1 2 358.417 2.778 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3ccc(F)cc3)o2)C[C@H]1C ZINC001206508952 1032320101 /nfs/dbraw/zinc/32/01/01/1032320101.db2.gz ATFFAYNCDKGXPB-CZUORRHYSA-N 1 2 358.417 2.778 20 30 FFEDLO N#CC1(C[C@H](O)C[NH+]2CCN(C(=O)c3cc4occc4s3)CC2)CCC1 ZINC000886018574 1008517208 /nfs/dbraw/zinc/51/72/08/1008517208.db2.gz CXFAMPLQDAHNKI-AWEZNQCLSA-N 1 2 373.478 2.697 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CCC)C2)c1 ZINC001206518144 1032325256 /nfs/dbraw/zinc/32/52/56/1032325256.db2.gz OFTYRXIJQLRJSD-SQGPQFPESA-N 1 2 369.509 2.869 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CCC)C2)c1 ZINC001206518144 1032325267 /nfs/dbraw/zinc/32/52/67/1032325267.db2.gz OFTYRXIJQLRJSD-SQGPQFPESA-N 1 2 369.509 2.869 20 30 FFEDLO C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001177547310 1008656612 /nfs/dbraw/zinc/65/66/12/1008656612.db2.gz XASYMSWUYLHVFK-WOJBJXKFSA-N 1 2 354.494 2.521 20 30 FFEDLO N#C[C@H](Cc1cccs1)C(=O)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001177909575 1008782172 /nfs/dbraw/zinc/78/21/72/1008782172.db2.gz NZCJLWOFPUZNKX-QFBILLFUSA-N 1 2 351.475 2.872 20 30 FFEDLO N#C[C@H](Cc1cccs1)C(=O)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001177909575 1008782176 /nfs/dbraw/zinc/78/21/76/1008782176.db2.gz NZCJLWOFPUZNKX-QFBILLFUSA-N 1 2 351.475 2.872 20 30 FFEDLO C[C@H](C(=O)Nc1[nH]c(=S)[nH]c(=O)c1N=Cc1ccccc1)n1cc[nH+]c1 ZINC001177921360 1008791241 /nfs/dbraw/zinc/79/12/41/1008791241.db2.gz AFHVBRCZPRVQGN-YXZFXQPTSA-N 1 2 368.422 2.618 20 30 FFEDLO CC(C)OC(=O)C1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000886727164 1008847713 /nfs/dbraw/zinc/84/77/13/1008847713.db2.gz JIVNFJDQFLLMSA-QGZVFWFLSA-N 1 2 371.481 2.985 20 30 FFEDLO C=C(C)CCC(=O)N1CC2(CCN(c3cc[nH+]c(C)n3)CC2)[C@H]2COC[C@H]21 ZINC001090645620 1008873786 /nfs/dbraw/zinc/87/37/86/1008873786.db2.gz SJTQJZCNXWNXEC-ZWKOTPCHSA-N 1 2 370.497 2.585 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)ns1 ZINC001095359232 1008967109 /nfs/dbraw/zinc/96/71/09/1008967109.db2.gz DDISTAZDAOTUNC-HFTRVMKXSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)ns1 ZINC001095359232 1008967120 /nfs/dbraw/zinc/96/71/20/1008967120.db2.gz DDISTAZDAOTUNC-HFTRVMKXSA-N 1 2 370.453 2.998 20 30 FFEDLO O=C(C#Cc1ccc(F)cc1F)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001178569172 1009046275 /nfs/dbraw/zinc/04/62/75/1009046275.db2.gz QTHIWROUKBBQOK-INIZCTEOSA-N 1 2 354.347 2.648 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000823469431 1009077501 /nfs/dbraw/zinc/07/75/01/1009077501.db2.gz WIGIXEJQFBDNCW-FPXKJXHESA-N 1 2 365.481 2.796 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000823469431 1009077514 /nfs/dbraw/zinc/07/75/14/1009077514.db2.gz WIGIXEJQFBDNCW-FPXKJXHESA-N 1 2 365.481 2.796 20 30 FFEDLO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000823628657 1009145949 /nfs/dbraw/zinc/14/59/49/1009145949.db2.gz YBBHQEAIVSGGNJ-GDBMZVCRSA-N 1 2 362.474 2.564 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3sccc3CC#N)C2)c1 ZINC000826570203 1009189125 /nfs/dbraw/zinc/18/91/25/1009189125.db2.gz YBUDIKGBGZKVNQ-SFHVURJKSA-N 1 2 369.490 2.753 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3sccc3CC#N)C2)c1 ZINC000826570203 1009189130 /nfs/dbraw/zinc/18/91/30/1009189130.db2.gz YBUDIKGBGZKVNQ-SFHVURJKSA-N 1 2 369.490 2.753 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001092894346 1009359664 /nfs/dbraw/zinc/35/96/64/1009359664.db2.gz CFYBOXRFAFYGQL-JJDSTIRJSA-N 1 2 372.513 2.802 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C2CC2)n1 ZINC001092947688 1009415335 /nfs/dbraw/zinc/41/53/35/1009415335.db2.gz IZWQEWVFZAFIPE-DDBAPUKQSA-N 1 2 370.497 2.870 20 30 FFEDLO N#Cc1c(F)cccc1N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001092985128 1009539485 /nfs/dbraw/zinc/53/94/85/1009539485.db2.gz GAJGOSZHLXZRIU-BJZITVGISA-N 1 2 367.428 2.600 20 30 FFEDLO CC(C)C[C@@H](C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)n1cc[nH+]c1 ZINC000887739262 1009550610 /nfs/dbraw/zinc/55/06/10/1009550610.db2.gz PZMVHQLVYPBGKF-RBUKOAKNSA-N 1 2 352.438 2.942 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001093032642 1009697310 /nfs/dbraw/zinc/69/73/10/1009697310.db2.gz CFYBOXRFAFYGQL-VWXURSGXSA-N 1 2 372.513 2.802 20 30 FFEDLO CN(C)c1c(F)c(F)ccc1C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000862422522 1009835335 /nfs/dbraw/zinc/83/53/35/1009835335.db2.gz BBEPFGKPCPZRSD-UHFFFAOYSA-N 1 2 357.408 2.620 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2[nH]nc3c2C[C@@H](C)CC3)[C@H](C)C1 ZINC001093090410 1009869829 /nfs/dbraw/zinc/86/98/29/1009869829.db2.gz YZORFWCHSPEZQU-OUCADQQQSA-N 1 2 350.894 2.585 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2[nH]nc3c2C[C@@H](C)CC3)[C@H](C)C1 ZINC001093090410 1009869850 /nfs/dbraw/zinc/86/98/50/1009869850.db2.gz YZORFWCHSPEZQU-OUCADQQQSA-N 1 2 350.894 2.585 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000889234776 1009880279 /nfs/dbraw/zinc/88/02/79/1009880279.db2.gz VAQBDNQHJIAKOJ-RDJZCZTQSA-N 1 2 357.364 2.798 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000889234776 1009880290 /nfs/dbraw/zinc/88/02/90/1009880290.db2.gz VAQBDNQHJIAKOJ-RDJZCZTQSA-N 1 2 357.364 2.798 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001093110224 1009955928 /nfs/dbraw/zinc/95/59/28/1009955928.db2.gz MEMYLYVMCOPOKQ-ZIAGYGMSSA-N 1 2 354.376 2.780 20 30 FFEDLO Cc1ccc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)cc1F ZINC000863456628 1010217517 /nfs/dbraw/zinc/21/75/17/1010217517.db2.gz XXFUTRNJEKLLCK-UHFFFAOYSA-N 1 2 357.429 2.803 20 30 FFEDLO N#Cc1cccnc1NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001093411822 1010244266 /nfs/dbraw/zinc/24/42/66/1010244266.db2.gz UPZWNPOSHHUBSO-HZPDHXFCSA-N 1 2 364.453 2.711 20 30 FFEDLO N#Cc1cccnc1NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001093411822 1010244271 /nfs/dbraw/zinc/24/42/71/1010244271.db2.gz UPZWNPOSHHUBSO-HZPDHXFCSA-N 1 2 364.453 2.711 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001181929937 1010310643 /nfs/dbraw/zinc/31/06/43/1010310643.db2.gz CUKSHAKIDXFLLJ-QGZVFWFLSA-N 1 2 371.481 2.856 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cc(C)cc(C)c2)C[C@H]1C ZINC001206885162 1032479633 /nfs/dbraw/zinc/47/96/33/1032479633.db2.gz YASQXRDCLQAYPW-UYAOXDASSA-N 1 2 369.509 2.872 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cc(C)cc(C)c2)C[C@H]1C ZINC001206885162 1032479635 /nfs/dbraw/zinc/47/96/35/1032479635.db2.gz YASQXRDCLQAYPW-UYAOXDASSA-N 1 2 369.509 2.872 20 30 FFEDLO C[C@@H](ON=C(N)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C#N)cc1 ZINC000794720640 1010567497 /nfs/dbraw/zinc/56/74/97/1010567497.db2.gz MOBDCLDSSXMHRP-MRXNPFEDSA-N 1 2 364.449 2.789 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccsc3)no2)C[C@H]1C ZINC001206911580 1032492588 /nfs/dbraw/zinc/49/25/88/1032492588.db2.gz UZXCIGZZNVMLAK-UKRRQHHQSA-N 1 2 358.467 2.538 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccsc3)no2)C[C@H]1C ZINC001206911580 1032492594 /nfs/dbraw/zinc/49/25/94/1032492594.db2.gz UZXCIGZZNVMLAK-UKRRQHHQSA-N 1 2 358.467 2.538 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2csc(C(C)(C)C)n2)C[C@H]1C ZINC001206917930 1032497566 /nfs/dbraw/zinc/49/75/66/1032497566.db2.gz FURFQSIXKZSIQC-ZXYWRSMDSA-N 1 2 365.543 2.704 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2csc(C(C)(C)C)n2)C[C@H]1C ZINC001206917930 1032497573 /nfs/dbraw/zinc/49/75/73/1032497573.db2.gz FURFQSIXKZSIQC-ZXYWRSMDSA-N 1 2 365.543 2.704 20 30 FFEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C1 ZINC001206939671 1032513628 /nfs/dbraw/zinc/51/36/28/1032513628.db2.gz OXBYUWZYXARRPN-CEXWTWQISA-N 1 2 369.509 2.726 20 30 FFEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C1 ZINC001206939671 1032513634 /nfs/dbraw/zinc/51/36/34/1032513634.db2.gz OXBYUWZYXARRPN-CEXWTWQISA-N 1 2 369.509 2.726 20 30 FFEDLO C[C@@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)c1cccc(C#N)c1O ZINC000866354286 1010982162 /nfs/dbraw/zinc/98/21/62/1010982162.db2.gz MNACDHIAGQTQMM-NVXWUHKLSA-N 1 2 365.433 2.594 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001274429867 1011436084 /nfs/dbraw/zinc/43/60/84/1011436084.db2.gz HKJYNWIQFORKRZ-KINGKOSLSA-N 1 2 361.486 2.715 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3cccc(F)c3C#N)C2)c1 ZINC001171791686 1011479094 /nfs/dbraw/zinc/47/90/94/1011479094.db2.gz ASZCOPGKANLEQT-QGZVFWFLSA-N 1 2 367.424 2.637 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3cccc(F)c3C#N)C2)c1 ZINC001171791686 1011479107 /nfs/dbraw/zinc/47/91/07/1011479107.db2.gz ASZCOPGKANLEQT-QGZVFWFLSA-N 1 2 367.424 2.637 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCC[C@@H](CC#N)C3)C2)cc1 ZINC000869099957 1011608728 /nfs/dbraw/zinc/60/87/28/1011608728.db2.gz AZDIARGLMVKNBH-ICSRJNTNSA-N 1 2 370.497 2.531 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCC[C@@H](CC#N)C3)C2)cc1 ZINC000869099957 1011608738 /nfs/dbraw/zinc/60/87/38/1011608738.db2.gz AZDIARGLMVKNBH-ICSRJNTNSA-N 1 2 370.497 2.531 20 30 FFEDLO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCn2c(COc3ccccn3)nnc2C1 ZINC001172307351 1011737458 /nfs/dbraw/zinc/73/74/58/1011737458.db2.gz GNJVHRJSGIVQIQ-MRXNPFEDSA-N 1 2 374.448 2.571 20 30 FFEDLO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCn2c(COc3ccccn3)nnc2C1 ZINC001172307351 1011737473 /nfs/dbraw/zinc/73/74/73/1011737473.db2.gz GNJVHRJSGIVQIQ-MRXNPFEDSA-N 1 2 374.448 2.571 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)[C@H]2C ZINC001172312837 1011742906 /nfs/dbraw/zinc/74/29/06/1011742906.db2.gz KBWHQTFXKVFIGC-GJZGRUSLSA-N 1 2 352.438 2.939 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)[C@H]2C ZINC001172312837 1011742918 /nfs/dbraw/zinc/74/29/18/1011742918.db2.gz KBWHQTFXKVFIGC-GJZGRUSLSA-N 1 2 352.438 2.939 20 30 FFEDLO CCCCCCC[C@H](C)C(=O)N1CCCC2(C[NH+](CC(=O)N(C)C)C2)C1 ZINC001274928661 1011754152 /nfs/dbraw/zinc/75/41/52/1011754152.db2.gz OBXHMSFUDOLRQZ-SFHVURJKSA-N 1 2 365.562 2.996 20 30 FFEDLO CCCCCCC[NH+]1CC2(C1)COCC(=O)N2CC(=O)c1cccs1 ZINC001275115380 1011957088 /nfs/dbraw/zinc/95/70/88/1011957088.db2.gz XBRDIKSKURCMGH-UHFFFAOYSA-N 1 2 364.511 2.814 20 30 FFEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)ncc1F)CC2 ZINC001275234658 1012121181 /nfs/dbraw/zinc/12/11/81/1012121181.db2.gz QJADIUKSOKAMHI-CQSZACIVSA-N 1 2 364.852 2.896 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@@H]2c2ncccn2)C[C@H]1C#N ZINC001172994041 1012196785 /nfs/dbraw/zinc/19/67/85/1012196785.db2.gz QLVCXSLEJGAZSP-HRCADAONSA-N 1 2 357.458 2.905 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCC[C@@H]2c2ncccn2)C[C@H]1C#N ZINC001172994041 1012196793 /nfs/dbraw/zinc/19/67/93/1012196793.db2.gz QLVCXSLEJGAZSP-HRCADAONSA-N 1 2 357.458 2.905 20 30 FFEDLO N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)c(C#N)c(F)c2)C1=O ZINC001275282091 1012204912 /nfs/dbraw/zinc/20/49/12/1012204912.db2.gz IWWBVQFIEJSODF-IBGZPJMESA-N 1 2 358.392 2.707 20 30 FFEDLO N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)c(C#N)c(F)c2)C1=O ZINC001275282091 1012204927 /nfs/dbraw/zinc/20/49/27/1012204927.db2.gz IWWBVQFIEJSODF-IBGZPJMESA-N 1 2 358.392 2.707 20 30 FFEDLO COc1cccc([C@@H]2CN(C(=O)c3cc4ccccc4n3CC#N)CC[NH2+]2)c1 ZINC000870149941 1012206428 /nfs/dbraw/zinc/20/64/28/1012206428.db2.gz OLCVRRJAGKTXMJ-IBGZPJMESA-N 1 2 374.444 2.960 20 30 FFEDLO COc1cccc([C@@H]2CN(C(=O)CSc3ccc(C#N)cc3)CC[NH2+]2)c1 ZINC000870150492 1012206743 /nfs/dbraw/zinc/20/67/43/1012206743.db2.gz VFRRZHHONSJHRM-IBGZPJMESA-N 1 2 367.474 2.832 20 30 FFEDLO C=CCCCCCC[N@H+]1C[C@]2(F)CN(Cc3nc(C)no3)C(=O)[C@]2(F)C1 ZINC001275330074 1012319129 /nfs/dbraw/zinc/31/91/29/1012319129.db2.gz KTLXHAMSSHTFKL-ZWKOTPCHSA-N 1 2 368.428 2.589 20 30 FFEDLO C=CCCCCCC[N@@H+]1C[C@]2(F)CN(Cc3nc(C)no3)C(=O)[C@]2(F)C1 ZINC001275330074 1012319146 /nfs/dbraw/zinc/31/91/46/1012319146.db2.gz KTLXHAMSSHTFKL-ZWKOTPCHSA-N 1 2 368.428 2.589 20 30 FFEDLO C=CCCCC[N@H+]1C[C@]2(F)CN(CCC(=O)OC(C)(C)C)C(=O)[C@]2(F)C1 ZINC001276357409 1012505312 /nfs/dbraw/zinc/50/53/12/1012505312.db2.gz MOHUHHJSTHBJOM-RBUKOAKNSA-N 1 2 372.456 2.649 20 30 FFEDLO C=CCCCC[N@@H+]1C[C@]2(F)CN(CCC(=O)OC(C)(C)C)C(=O)[C@]2(F)C1 ZINC001276357409 1012505319 /nfs/dbraw/zinc/50/53/19/1012505319.db2.gz MOHUHHJSTHBJOM-RBUKOAKNSA-N 1 2 372.456 2.649 20 30 FFEDLO C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3ncc(Cl)s3)C2)C1=O ZINC001275520095 1012571672 /nfs/dbraw/zinc/57/16/72/1012571672.db2.gz KQSQMFXUBKXEAE-MRXNPFEDSA-N 1 2 353.875 2.714 20 30 FFEDLO C=C(C)CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3ncc(Cl)s3)C2)C1=O ZINC001275520095 1012571681 /nfs/dbraw/zinc/57/16/81/1012571681.db2.gz KQSQMFXUBKXEAE-MRXNPFEDSA-N 1 2 353.875 2.714 20 30 FFEDLO C=CCN1Cc2ccccc2CC2(CC[NH+](Cc3ncc[nH]3)CC2)C1=O ZINC001275595190 1012663795 /nfs/dbraw/zinc/66/37/95/1012663795.db2.gz FWEIJNKDIWHVCZ-UHFFFAOYSA-N 1 2 350.466 2.763 20 30 FFEDLO Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)n1 ZINC001095186748 1012670624 /nfs/dbraw/zinc/67/06/24/1012670624.db2.gz OZRWWOXEDHAZQY-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)n1 ZINC001095186748 1012670629 /nfs/dbraw/zinc/67/06/29/1012670629.db2.gz OZRWWOXEDHAZQY-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCOc3ccc(OC)cc3)[C@@H]2C1 ZINC001222015208 1032654705 /nfs/dbraw/zinc/65/47/05/1032654705.db2.gz TZTXYTCOGMWUKW-CRAIPNDOSA-N 1 2 364.873 2.749 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCOc3ccc(OC)cc3)[C@@H]2C1 ZINC001222015208 1032654709 /nfs/dbraw/zinc/65/47/09/1032654709.db2.gz TZTXYTCOGMWUKW-CRAIPNDOSA-N 1 2 364.873 2.749 20 30 FFEDLO Cc1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(Cl)cc2)[nH]1 ZINC001095242006 1012821453 /nfs/dbraw/zinc/82/14/53/1012821453.db2.gz BUMSNZQZYFNGLX-AOIWGVFYSA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(Cl)cc2)[nH]1 ZINC001095242006 1012821468 /nfs/dbraw/zinc/82/14/68/1012821468.db2.gz BUMSNZQZYFNGLX-AOIWGVFYSA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)cs1 ZINC001095914576 1012875876 /nfs/dbraw/zinc/87/58/76/1012875876.db2.gz JEJQFDHUDKNPAU-HFTRVMKXSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)cs1 ZINC001095914576 1012875898 /nfs/dbraw/zinc/87/58/98/1012875898.db2.gz JEJQFDHUDKNPAU-HFTRVMKXSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1ccncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001095264287 1013006496 /nfs/dbraw/zinc/00/64/96/1013006496.db2.gz GMDDRYDLOGUWTL-GIVPXCGWSA-N 1 2 363.436 2.916 20 30 FFEDLO Cc1ccncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001095264287 1013006512 /nfs/dbraw/zinc/00/65/12/1013006512.db2.gz GMDDRYDLOGUWTL-GIVPXCGWSA-N 1 2 363.436 2.916 20 30 FFEDLO CCCCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3cc(C#N)ccc3OC)C[C@@H]21 ZINC001217301707 1032683405 /nfs/dbraw/zinc/68/34/05/1032683405.db2.gz SSIOZMYBTVXHLT-AZUAARDMSA-N 1 2 371.481 2.559 20 30 FFEDLO CCCCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3OC)C[C@@H]21 ZINC001217301707 1032683421 /nfs/dbraw/zinc/68/34/21/1032683421.db2.gz SSIOZMYBTVXHLT-AZUAARDMSA-N 1 2 371.481 2.559 20 30 FFEDLO Cc1cc(N2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@H]2C)c(C#N)cn1 ZINC001051220633 1017255651 /nfs/dbraw/zinc/25/56/51/1017255651.db2.gz WTPFXSBAUJPATC-CJNGLKHVSA-N 1 2 360.421 2.535 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1n[nH]c2c1CCCC2 ZINC001097418857 1017455028 /nfs/dbraw/zinc/45/50/28/1017455028.db2.gz ORUAGCTYVCSRMB-UIFIKXQLSA-N 1 2 374.488 2.675 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001110897318 1017561704 /nfs/dbraw/zinc/56/17/04/1017561704.db2.gz HUPSEBAMWQOAGQ-KURKYZTESA-N 1 2 355.482 2.583 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001110897318 1017561711 /nfs/dbraw/zinc/56/17/11/1017561711.db2.gz HUPSEBAMWQOAGQ-KURKYZTESA-N 1 2 355.482 2.583 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nn(C)c1Cl ZINC001110897761 1017567189 /nfs/dbraw/zinc/56/71/89/1017567189.db2.gz WJSCCXNMNQMBPO-YUELXQCFSA-N 1 2 350.894 2.816 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nn(C)c1Cl ZINC001110897761 1017567194 /nfs/dbraw/zinc/56/71/94/1017567194.db2.gz WJSCCXNMNQMBPO-YUELXQCFSA-N 1 2 350.894 2.816 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncc3ccccn31)C2 ZINC001097539135 1017580486 /nfs/dbraw/zinc/58/04/86/1017580486.db2.gz RDRLYPZFLPLEPE-RLLQIKCJSA-N 1 2 371.444 2.741 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncc3ccccn31)C2 ZINC001097539135 1017580491 /nfs/dbraw/zinc/58/04/91/1017580491.db2.gz RDRLYPZFLPLEPE-RLLQIKCJSA-N 1 2 371.444 2.741 20 30 FFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925581827 1017794997 /nfs/dbraw/zinc/79/49/97/1017794997.db2.gz VTVHDHSHHPMCLC-IBGZPJMESA-N 1 2 358.486 2.591 20 30 FFEDLO CCc1nc(CN2CCC[C@H]([NH2+][C@@H](CC)c3cccc(C#N)c3O)C2)no1 ZINC000925704351 1017820358 /nfs/dbraw/zinc/82/03/58/1017820358.db2.gz GKKNSVYSDIXSGH-RDJZCZTQSA-N 1 2 369.469 2.915 20 30 FFEDLO N#Cc1c(F)cccc1NC[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001055664260 1017856687 /nfs/dbraw/zinc/85/66/87/1017856687.db2.gz VZQNOMLEUOELIO-XOBRGWDASA-N 1 2 367.428 2.704 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3cccnc31)C2 ZINC001097737727 1017880446 /nfs/dbraw/zinc/88/04/46/1017880446.db2.gz UFLJHVMMNJAXKL-MHTWAQMVSA-N 1 2 372.472 2.905 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3cccnc31)C2 ZINC001097737727 1017880461 /nfs/dbraw/zinc/88/04/61/1017880461.db2.gz UFLJHVMMNJAXKL-MHTWAQMVSA-N 1 2 372.472 2.905 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)cc3F)C[C@H]21 ZINC001222069054 1032733848 /nfs/dbraw/zinc/73/38/48/1032733848.db2.gz GVTCWBFSBWWMSE-JCKWVBRZSA-N 1 2 350.409 2.589 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)cc3F)C[C@H]21 ZINC001222069054 1032733860 /nfs/dbraw/zinc/73/38/60/1032733860.db2.gz GVTCWBFSBWWMSE-JCKWVBRZSA-N 1 2 350.409 2.589 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(F)c3F)C[C@H]21 ZINC001222069656 1032734584 /nfs/dbraw/zinc/73/45/84/1032734584.db2.gz UZAKZBOMHXVMJL-JJRVBVJISA-N 1 2 350.409 2.589 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(F)c3F)C[C@H]21 ZINC001222069656 1032734590 /nfs/dbraw/zinc/73/45/90/1032734590.db2.gz UZAKZBOMHXVMJL-JJRVBVJISA-N 1 2 350.409 2.589 20 30 FFEDLO CCc1ncoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001097812455 1017974099 /nfs/dbraw/zinc/97/40/99/1017974099.db2.gz LRZATMNLKAJCAP-LYRGGWFBSA-N 1 2 356.451 2.705 20 30 FFEDLO CCc1ncoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001097812455 1017974108 /nfs/dbraw/zinc/97/41/08/1017974108.db2.gz LRZATMNLKAJCAP-LYRGGWFBSA-N 1 2 356.451 2.705 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cc(C)ncn2)C1 ZINC001052741921 1018082287 /nfs/dbraw/zinc/08/22/87/1018082287.db2.gz YOUNAQYURYQLCI-HZPDHXFCSA-N 1 2 368.485 2.527 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)O2 ZINC001053629714 1018391031 /nfs/dbraw/zinc/39/10/31/1018391031.db2.gz UCKYIZXQXQOZGT-IRFCIJBXSA-N 1 2 354.494 2.890 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC)O2 ZINC001053676233 1018412260 /nfs/dbraw/zinc/41/22/60/1018412260.db2.gz YRPUHIFUQXRFOV-YTQUADARSA-N 1 2 370.493 2.724 20 30 FFEDLO CC(C)(C)/C=C\C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001217566148 1032784003 /nfs/dbraw/zinc/78/40/03/1032784003.db2.gz HUZOAWYKMCBDQS-OXUXSNCKSA-N 1 2 371.456 2.711 20 30 FFEDLO CC(C)(C)/C=C\C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001217566148 1032784015 /nfs/dbraw/zinc/78/40/15/1032784015.db2.gz HUZOAWYKMCBDQS-OXUXSNCKSA-N 1 2 371.456 2.711 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)nc(C)n1 ZINC001096159186 1018968493 /nfs/dbraw/zinc/96/84/93/1018968493.db2.gz HHIQRBMHNLGANE-SKDZVZGDSA-N 1 2 367.478 2.562 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)nc(C)n1 ZINC001096159186 1018968498 /nfs/dbraw/zinc/96/84/98/1018968498.db2.gz HHIQRBMHNLGANE-SKDZVZGDSA-N 1 2 367.478 2.562 20 30 FFEDLO CC(C)C[C@@H](C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)n1cc[nH+]c1 ZINC000928722826 1019098525 /nfs/dbraw/zinc/09/85/25/1019098525.db2.gz XKIWNGSZWZUVSZ-ROUUACIJSA-N 1 2 366.469 2.840 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cnn(Cc4ccccc4)c3)CC2)cn1 ZINC000801551931 1019103860 /nfs/dbraw/zinc/10/38/60/1019103860.db2.gz YUASGBHWMINSPX-UHFFFAOYSA-N 1 2 358.449 2.520 20 30 FFEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)CCOCC1 ZINC001096178289 1019112655 /nfs/dbraw/zinc/11/26/55/1019112655.db2.gz MDEGBONJQPOSRW-AABGKKOBSA-N 1 2 370.468 2.715 20 30 FFEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)CCOCC1 ZINC001096178289 1019112664 /nfs/dbraw/zinc/11/26/64/1019112664.db2.gz MDEGBONJQPOSRW-AABGKKOBSA-N 1 2 370.468 2.715 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N3CCCC3)nc1)C2 ZINC001098049948 1019167140 /nfs/dbraw/zinc/16/71/40/1019167140.db2.gz BFHAJBOINWVEHB-ZACQAIPSSA-N 1 2 360.889 2.769 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N3CCCC3)nc1)C2 ZINC001098049948 1019167154 /nfs/dbraw/zinc/16/71/54/1019167154.db2.gz BFHAJBOINWVEHB-ZACQAIPSSA-N 1 2 360.889 2.769 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001067886273 1019170575 /nfs/dbraw/zinc/17/05/75/1019170575.db2.gz RJPYXNQATUICGB-XVDPQKCLSA-N 1 2 370.497 2.562 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3cc(C)[nH+]c(C(C)C)n3)C2)nc1 ZINC001043266717 1019293401 /nfs/dbraw/zinc/29/34/01/1019293401.db2.gz IMRZOIUCAHTZRL-RDTXWAMCSA-N 1 2 363.465 2.857 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)c1ccncn1 ZINC001096198519 1019320534 /nfs/dbraw/zinc/32/05/34/1019320534.db2.gz SUDPQBLNLDOHJL-NEWSRXKRSA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)c1ccncn1 ZINC001096198519 1019320544 /nfs/dbraw/zinc/32/05/44/1019320544.db2.gz SUDPQBLNLDOHJL-NEWSRXKRSA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)c1cccnn1 ZINC001098086494 1019384680 /nfs/dbraw/zinc/38/46/80/1019384680.db2.gz FVCQYJXPKHPBJG-QRQLOZEOSA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)c1cccnn1 ZINC001098086494 1019384694 /nfs/dbraw/zinc/38/46/94/1019384694.db2.gz FVCQYJXPKHPBJG-QRQLOZEOSA-N 1 2 366.852 2.517 20 30 FFEDLO N#Cc1cccnc1N[C@@H]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001047587609 1019420851 /nfs/dbraw/zinc/42/08/51/1019420851.db2.gz USKQNPNHHJPKNL-XJKSGUPXSA-N 1 2 360.421 2.840 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)C3(C#N)CCSCC3)CC2)cc1 ZINC000929581549 1019523260 /nfs/dbraw/zinc/52/32/60/1019523260.db2.gz LATUTNLYMFPMCX-UHFFFAOYSA-N 1 2 373.522 2.766 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC(Nc2cccc(F)c2C#N)C1 ZINC001069795979 1019602827 /nfs/dbraw/zinc/60/28/27/1019602827.db2.gz SIGKMISSAQAJOK-NEXFUWMNSA-N 1 2 367.428 2.636 20 30 FFEDLO CCc1nocc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001095976866 1019671470 /nfs/dbraw/zinc/67/14/70/1019671470.db2.gz YDODVRYZPWBWEQ-UXPWSPDFSA-N 1 2 367.424 2.763 20 30 FFEDLO CCc1nocc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001095976866 1019671475 /nfs/dbraw/zinc/67/14/75/1019671475.db2.gz YDODVRYZPWBWEQ-UXPWSPDFSA-N 1 2 367.424 2.763 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)c1ncccc1F ZINC001098100930 1019735438 /nfs/dbraw/zinc/73/54/38/1019735438.db2.gz PHPSBUKFJDOLNH-QRQLOZEOSA-N 1 2 367.399 2.747 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)c1ncccc1F ZINC001098100930 1019735449 /nfs/dbraw/zinc/73/54/49/1019735449.db2.gz PHPSBUKFJDOLNH-QRQLOZEOSA-N 1 2 367.399 2.747 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c1OCCCO3)C2 ZINC001098103476 1019742220 /nfs/dbraw/zinc/74/22/20/1019742220.db2.gz HLXZKGDXOQBGFB-BMFZPTHFSA-N 1 2 362.857 2.936 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c1OCCCO3)C2 ZINC001098103476 1019742237 /nfs/dbraw/zinc/74/22/37/1019742237.db2.gz HLXZKGDXOQBGFB-BMFZPTHFSA-N 1 2 362.857 2.936 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)CCC)CC1 ZINC001110982101 1019878894 /nfs/dbraw/zinc/87/88/94/1019878894.db2.gz INJJMWDDVYBWIL-AITUJVMLSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)CCC)CC1 ZINC001110982101 1019878905 /nfs/dbraw/zinc/87/89/05/1019878905.db2.gz INJJMWDDVYBWIL-AITUJVMLSA-N 1 2 361.530 2.759 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)CC[C@@H](O)c3ccccc3)CCO2)c1 ZINC000930136180 1019887925 /nfs/dbraw/zinc/88/79/25/1019887925.db2.gz RWOXFBMLHAMYGV-BDTNDASRSA-N 1 2 366.461 2.806 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)CC[C@@H](O)c3ccccc3)CCO2)c1 ZINC000930136180 1019887933 /nfs/dbraw/zinc/88/79/33/1019887933.db2.gz RWOXFBMLHAMYGV-BDTNDASRSA-N 1 2 366.461 2.806 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC(C)(C)C)CC1 ZINC001110982442 1019900174 /nfs/dbraw/zinc/90/01/74/1019900174.db2.gz XLOSOYPEYBTYCL-KURKYZTESA-N 1 2 361.530 2.617 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC(C)(C)C)CC1 ZINC001110982442 1019900185 /nfs/dbraw/zinc/90/01/85/1019900185.db2.gz XLOSOYPEYBTYCL-KURKYZTESA-N 1 2 361.530 2.617 20 30 FFEDLO Cc1conc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096293105 1019950245 /nfs/dbraw/zinc/95/02/45/1019950245.db2.gz ZRXGTIWPUUQPIV-PVAVHDDUSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1conc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096293105 1019950251 /nfs/dbraw/zinc/95/02/51/1019950251.db2.gz ZRXGTIWPUUQPIV-PVAVHDDUSA-N 1 2 354.385 2.529 20 30 FFEDLO COC(=O)[C@H](OC(=O)[C@H](c1ccccc1)[NH+](C)C)c1cccc(C#N)c1 ZINC000780087846 1019953525 /nfs/dbraw/zinc/95/35/25/1019953525.db2.gz KYAMFJSFASNJOW-ZWKOTPCHSA-N 1 2 352.390 2.618 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(CC)CC)CCC1 ZINC001110987276 1019999680 /nfs/dbraw/zinc/99/96/80/1019999680.db2.gz MKYIEYGGUAFLKD-KURKYZTESA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(CC)CC)CCC1 ZINC001110987276 1019999684 /nfs/dbraw/zinc/99/96/84/1019999684.db2.gz MKYIEYGGUAFLKD-KURKYZTESA-N 1 2 361.530 2.759 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CCC2CCCCCC2)C[C@H]1NCC#N ZINC001070668107 1020057031 /nfs/dbraw/zinc/05/70/31/1020057031.db2.gz BQRNWSVHKKCEAP-QZTJIDSGSA-N 1 2 357.502 2.578 20 30 FFEDLO C[NH+](C)[C@@H](C(=O)OCc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000780090027 1020065339 /nfs/dbraw/zinc/06/53/39/1020065339.db2.gz ITSFETPCNPJXOK-GOSISDBHSA-N 1 2 362.389 2.954 20 30 FFEDLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](CNc2ccc(C#N)nc2)C1 ZINC001048386524 1020189868 /nfs/dbraw/zinc/18/98/68/1020189868.db2.gz FPLZKDLMGIDEJG-BVPBIZIASA-N 1 2 364.453 2.519 20 30 FFEDLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](CNc2ccc(C#N)nc2)C1 ZINC001048386524 1020189874 /nfs/dbraw/zinc/18/98/74/1020189874.db2.gz FPLZKDLMGIDEJG-BVPBIZIASA-N 1 2 364.453 2.519 20 30 FFEDLO CC(C)C#CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H](C)c3cccc(Cl)c3)C[C@@H]21 ZINC001217839656 1032882473 /nfs/dbraw/zinc/88/24/73/1032882473.db2.gz OCUIGARLVFQEQJ-AYOQOUSVSA-N 1 2 360.885 2.972 20 30 FFEDLO CC(C)C#CC(=O)N1CCO[C@@H]2C[N@H+]([C@H](C)c3cccc(Cl)c3)C[C@@H]21 ZINC001217839656 1032882491 /nfs/dbraw/zinc/88/24/91/1032882491.db2.gz OCUIGARLVFQEQJ-AYOQOUSVSA-N 1 2 360.885 2.972 20 30 FFEDLO CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1)c1c[nH]cn1 ZINC001096352847 1020198938 /nfs/dbraw/zinc/19/89/38/1020198938.db2.gz FCNPWVCJDHRAFZ-KCXAZCMYSA-N 1 2 369.494 2.542 20 30 FFEDLO CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1)c1c[nH]cn1 ZINC001096352847 1020198946 /nfs/dbraw/zinc/19/89/46/1020198946.db2.gz FCNPWVCJDHRAFZ-KCXAZCMYSA-N 1 2 369.494 2.542 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000725814676 1020265531 /nfs/dbraw/zinc/26/55/31/1020265531.db2.gz IDGVESUBQWBNCS-UHFFFAOYSA-N 1 2 359.470 2.618 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000725814676 1020265536 /nfs/dbraw/zinc/26/55/36/1020265536.db2.gz IDGVESUBQWBNCS-UHFFFAOYSA-N 1 2 359.470 2.618 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2CC(C)C)CC1 ZINC000802672833 1020316624 /nfs/dbraw/zinc/31/66/24/1020316624.db2.gz MODNPQOBEOSAGK-UHFFFAOYSA-N 1 2 351.498 2.589 20 30 FFEDLO C#CC1(O)CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000931147176 1020347541 /nfs/dbraw/zinc/34/75/41/1020347541.db2.gz VXAFTWUWBICDKK-CQSZACIVSA-N 1 2 371.506 2.676 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(Cl)no2)C3)ccc1F ZINC001096399542 1020403818 /nfs/dbraw/zinc/40/38/18/1020403818.db2.gz QKLCYIAOFBIBKA-SNPRPXQTSA-N 1 2 374.803 2.874 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(Cl)no2)C3)ccc1F ZINC001096399542 1020403820 /nfs/dbraw/zinc/40/38/20/1020403820.db2.gz QKLCYIAOFBIBKA-SNPRPXQTSA-N 1 2 374.803 2.874 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(Cl)no2)C3)s1 ZINC001096400320 1020419136 /nfs/dbraw/zinc/41/91/36/1020419136.db2.gz XPRQMLYGTYEPGS-ICCXJUOJSA-N 1 2 362.842 2.796 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(Cl)no2)C3)s1 ZINC001096400320 1020419139 /nfs/dbraw/zinc/41/91/39/1020419139.db2.gz XPRQMLYGTYEPGS-ICCXJUOJSA-N 1 2 362.842 2.796 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001073206795 1020424906 /nfs/dbraw/zinc/42/49/06/1020424906.db2.gz WHHDYDVIXDTXOU-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001073206795 1020424911 /nfs/dbraw/zinc/42/49/11/1020424911.db2.gz WHHDYDVIXDTXOU-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)/C=C(\C)C[NH+]2CCOCC2)cc1 ZINC000900555414 1020493292 /nfs/dbraw/zinc/49/32/92/1020493292.db2.gz XDNWBAAXKYJQMT-BMRADRMJSA-N 1 2 357.454 2.610 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CCCC[C@H]2NC(=O)c2cc3c[nH+]ccc3[nH]2)cn1 ZINC001046171091 1020518332 /nfs/dbraw/zinc/51/83/32/1020518332.db2.gz ACFQZHDCIZXLBR-QZTJIDSGSA-N 1 2 360.421 2.983 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001096078825 1020532234 /nfs/dbraw/zinc/53/22/34/1020532234.db2.gz FCBFPPIPZUCDET-MSOLQXFVSA-N 1 2 370.497 2.729 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000902910679 1020562047 /nfs/dbraw/zinc/56/20/47/1020562047.db2.gz HZEVKLWDPYQDPB-UHFFFAOYSA-N 1 2 354.454 2.825 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1Cc3cccnc3C1)C2 ZINC001096432339 1020577482 /nfs/dbraw/zinc/57/74/82/1020577482.db2.gz UIDGDRUXSAWJGK-WKDRNLAYSA-N 1 2 372.472 2.590 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1Cc3cccnc3C1)C2 ZINC001096432339 1020577490 /nfs/dbraw/zinc/57/74/90/1020577490.db2.gz UIDGDRUXSAWJGK-WKDRNLAYSA-N 1 2 372.472 2.590 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903028212 1020639184 /nfs/dbraw/zinc/63/91/84/1020639184.db2.gz KKKXITPBLRNTNM-OAHLLOKOSA-N 1 2 369.494 2.880 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903028212 1020639188 /nfs/dbraw/zinc/63/91/88/1020639188.db2.gz KKKXITPBLRNTNM-OAHLLOKOSA-N 1 2 369.494 2.880 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2cscn2)C3)c1 ZINC001096112995 1020713676 /nfs/dbraw/zinc/71/36/76/1020713676.db2.gz GSBGMSBMRQPHQB-NJAFHUGGSA-N 1 2 370.453 2.618 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2cscn2)C3)c1 ZINC001096112995 1020713683 /nfs/dbraw/zinc/71/36/83/1020713683.db2.gz GSBGMSBMRQPHQB-NJAFHUGGSA-N 1 2 370.453 2.618 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2cscn2)C3)c(F)c1 ZINC001096113704 1020716514 /nfs/dbraw/zinc/71/65/14/1020716514.db2.gz YORCTTJPUPWYBO-NJAFHUGGSA-N 1 2 370.453 2.618 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2cscn2)C3)c(F)c1 ZINC001096113704 1020716522 /nfs/dbraw/zinc/71/65/22/1020716522.db2.gz YORCTTJPUPWYBO-NJAFHUGGSA-N 1 2 370.453 2.618 20 30 FFEDLO C[C@H]([NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1)c1cccc(C#N)c1O ZINC000903173730 1020723912 /nfs/dbraw/zinc/72/39/12/1020723912.db2.gz VAFRYJAZTGRQBZ-AWEZNQCLSA-N 1 2 373.478 2.506 20 30 FFEDLO C[C@]1(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046639250 1020739541 /nfs/dbraw/zinc/73/95/41/1020739541.db2.gz LEVLVGSNXCCSKK-REHHDOPLSA-N 1 2 372.896 2.840 20 30 FFEDLO C[C@]1(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046639250 1020739550 /nfs/dbraw/zinc/73/95/50/1020739550.db2.gz LEVLVGSNXCCSKK-REHHDOPLSA-N 1 2 372.896 2.840 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c(C)nn(CC)c1C)C2 ZINC001098235575 1020752110 /nfs/dbraw/zinc/75/21/10/1020752110.db2.gz ISGULSYUWPLMJL-OIISXLGYSA-N 1 2 350.894 2.536 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c(C)nn(CC)c1C)C2 ZINC001098235575 1020752116 /nfs/dbraw/zinc/75/21/16/1020752116.db2.gz ISGULSYUWPLMJL-OIISXLGYSA-N 1 2 350.894 2.536 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(CO)(C(F)(F)F)CC3)o2)cc1 ZINC000932826420 1020909295 /nfs/dbraw/zinc/90/92/95/1020909295.db2.gz XSQYKGMRRILLJE-UHFFFAOYSA-N 1 2 366.343 2.745 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(NC(C)=O)c(F)c1)C2 ZINC001098511383 1020977049 /nfs/dbraw/zinc/97/70/49/1020977049.db2.gz QPFPRAWRIHYANP-XYPHTWIQSA-N 1 2 365.836 2.872 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(NC(C)=O)c(F)c1)C2 ZINC001098511383 1020977052 /nfs/dbraw/zinc/97/70/52/1020977052.db2.gz QPFPRAWRIHYANP-XYPHTWIQSA-N 1 2 365.836 2.872 20 30 FFEDLO CCn1c[nH+]c2c1CCN([C@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000933257331 1020984397 /nfs/dbraw/zinc/98/43/97/1020984397.db2.gz FOFNYAIUTRFKDP-MRXNPFEDSA-N 1 2 351.454 2.596 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000933626858 1021052631 /nfs/dbraw/zinc/05/26/31/1021052631.db2.gz CIICPGSPHOFNLV-MOPGFXCFSA-N 1 2 353.378 2.573 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000933626858 1021052634 /nfs/dbraw/zinc/05/26/34/1021052634.db2.gz CIICPGSPHOFNLV-MOPGFXCFSA-N 1 2 353.378 2.573 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCOC[C@@H]1C[C@@H]1CCCO1)c1ccccc1 ZINC000933690596 1021070585 /nfs/dbraw/zinc/07/05/85/1021070585.db2.gz VVYSBKMRHWLWPT-PCCBWWKXSA-N 1 2 356.466 2.697 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCOC[C@@H]1C[C@@H]1CCCO1)c1ccccc1 ZINC000933690596 1021070592 /nfs/dbraw/zinc/07/05/92/1021070592.db2.gz VVYSBKMRHWLWPT-PCCBWWKXSA-N 1 2 356.466 2.697 20 30 FFEDLO C[N@H+](CC(=O)NCCc1cccc2cccnc21)Cc1cc(C#N)cs1 ZINC000933774903 1021088335 /nfs/dbraw/zinc/08/83/35/1021088335.db2.gz ZVOUTZSQAQMTHK-UHFFFAOYSA-N 1 2 364.474 2.959 20 30 FFEDLO C[N@@H+](CC(=O)NCCc1cccc2cccnc21)Cc1cc(C#N)cs1 ZINC000933774903 1021088340 /nfs/dbraw/zinc/08/83/40/1021088340.db2.gz ZVOUTZSQAQMTHK-UHFFFAOYSA-N 1 2 364.474 2.959 20 30 FFEDLO Cc1ncc(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cc(F)ccc2C#N)C3)[nH]1 ZINC001098758725 1021116125 /nfs/dbraw/zinc/11/61/25/1021116125.db2.gz NYECOAQSXKJWCP-JXFKEZNVSA-N 1 2 367.428 2.513 20 30 FFEDLO Cc1ncc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cc(F)ccc2C#N)C3)[nH]1 ZINC001098758725 1021116128 /nfs/dbraw/zinc/11/61/28/1021116128.db2.gz NYECOAQSXKJWCP-JXFKEZNVSA-N 1 2 367.428 2.513 20 30 FFEDLO Cc1n[nH]c(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC#Cc2ccccc2)C3)c1C ZINC001098763786 1021122263 /nfs/dbraw/zinc/12/22/63/1021122263.db2.gz LNDFKRRPMVNQLO-UGKGYDQZSA-N 1 2 362.477 2.663 20 30 FFEDLO Cc1n[nH]c(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC#Cc2ccccc2)C3)c1C ZINC001098763786 1021122266 /nfs/dbraw/zinc/12/22/66/1021122266.db2.gz LNDFKRRPMVNQLO-UGKGYDQZSA-N 1 2 362.477 2.663 20 30 FFEDLO CC(C)c1cnc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001098778921 1021137286 /nfs/dbraw/zinc/13/72/86/1021137286.db2.gz UXKFTQZOYSHQFW-YWZLYKJASA-N 1 2 367.453 2.782 20 30 FFEDLO CC(C)c1cnc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001098778921 1021137290 /nfs/dbraw/zinc/13/72/90/1021137290.db2.gz UXKFTQZOYSHQFW-YWZLYKJASA-N 1 2 367.453 2.782 20 30 FFEDLO COC(=O)CC(C)(C)[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC001116352512 1021175981 /nfs/dbraw/zinc/17/59/81/1021175981.db2.gz POELWXQODNDTED-LBPRGKRZSA-N 1 2 359.451 2.746 20 30 FFEDLO COC(=O)CC(C)(C)[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC001116352512 1021175988 /nfs/dbraw/zinc/17/59/88/1021175988.db2.gz POELWXQODNDTED-LBPRGKRZSA-N 1 2 359.451 2.746 20 30 FFEDLO Cc1n[nH]cc1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001098968767 1021500754 /nfs/dbraw/zinc/50/07/54/1021500754.db2.gz YFGVXBZURZLCKO-JXFKEZNVSA-N 1 2 367.428 2.513 20 30 FFEDLO Cc1n[nH]cc1C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001098968767 1021500762 /nfs/dbraw/zinc/50/07/62/1021500762.db2.gz YFGVXBZURZLCKO-JXFKEZNVSA-N 1 2 367.428 2.513 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2conc2CC)C1 ZINC001099016592 1021601773 /nfs/dbraw/zinc/60/17/73/1021601773.db2.gz SSBOYMQVOCMGDF-LRDDRELGSA-N 1 2 368.275 2.730 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2conc2CC)C1 ZINC001099016592 1021601782 /nfs/dbraw/zinc/60/17/82/1021601782.db2.gz SSBOYMQVOCMGDF-LRDDRELGSA-N 1 2 368.275 2.730 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CC1CCCCC1)C2 ZINC001111094055 1021690706 /nfs/dbraw/zinc/69/07/06/1021690706.db2.gz MUTMEFIJMDDPDO-OWYHZJEWSA-N 1 2 361.530 2.617 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CC1CCCCC1)C2 ZINC001111094055 1021690714 /nfs/dbraw/zinc/69/07/14/1021690714.db2.gz MUTMEFIJMDDPDO-OWYHZJEWSA-N 1 2 361.530 2.617 20 30 FFEDLO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000935487836 1021734581 /nfs/dbraw/zinc/73/45/81/1021734581.db2.gz JAOWWVJNXRMTFG-LSDHHAIUSA-N 1 2 362.474 2.564 20 30 FFEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000935923950 1021936094 /nfs/dbraw/zinc/93/60/94/1021936094.db2.gz HPYWPVLRXWWCRV-HOCLYGCPSA-N 1 2 362.474 2.564 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2nc(-c3ccco3)oc2C)C1 ZINC001015726245 1021941283 /nfs/dbraw/zinc/94/12/83/1021941283.db2.gz JYUZKWWLHYYITC-INMHGKMJSA-N 1 2 371.437 2.525 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2nc(-c3ccco3)oc2C)C1 ZINC001015726245 1021941292 /nfs/dbraw/zinc/94/12/92/1021941292.db2.gz JYUZKWWLHYYITC-INMHGKMJSA-N 1 2 371.437 2.525 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(=O)CC1CCCC1)C2 ZINC001111147047 1022096134 /nfs/dbraw/zinc/09/61/34/1022096134.db2.gz MDTHFWUGQCSQCI-SVGFKBNWSA-N 1 2 367.921 2.545 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(=O)CC1CCCC1)C2 ZINC001111147047 1022096152 /nfs/dbraw/zinc/09/61/52/1022096152.db2.gz MDTHFWUGQCSQCI-SVGFKBNWSA-N 1 2 367.921 2.545 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](Oc2ncc(-c3ccc(Cl)cc3)cc2C#N)C[NH2+]1 ZINC001218174463 1033029319 /nfs/dbraw/zinc/02/93/19/1033029319.db2.gz DIIGVSMYPFVNLB-HOTGVXAUSA-N 1 2 357.797 2.556 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)CO[C@@H](C)CC)C[C@@H]21 ZINC001222534335 1033034386 /nfs/dbraw/zinc/03/43/86/1033034386.db2.gz LBAPYIUDTFFHFU-ZNMIVQPWSA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)CO[C@@H](C)CC)C[C@@H]21 ZINC001222534335 1033034395 /nfs/dbraw/zinc/03/43/95/1033034395.db2.gz LBAPYIUDTFFHFU-ZNMIVQPWSA-N 1 2 359.308 2.633 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3ccn(C)n3)C2)CC1 ZINC001099301834 1022257227 /nfs/dbraw/zinc/25/72/27/1022257227.db2.gz SPNWECJUWSOCOT-HZPDHXFCSA-N 1 2 370.419 2.645 20 30 FFEDLO N#Cc1cc2cc(Br)ccc2nc1O[C@@H]1C[NH2+]CC1(F)F ZINC001218233064 1033061095 /nfs/dbraw/zinc/06/10/95/1033061095.db2.gz XTBKJRUKIXQFOU-GFCCVEGCSA-N 1 2 354.154 2.855 20 30 FFEDLO COCCC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001111242411 1022569606 /nfs/dbraw/zinc/56/96/06/1022569606.db2.gz CWIYNAVUOYJJDE-XLNTUCKNSA-N 1 2 355.482 2.842 20 30 FFEDLO COCCC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001111242411 1022569614 /nfs/dbraw/zinc/56/96/14/1022569614.db2.gz CWIYNAVUOYJJDE-XLNTUCKNSA-N 1 2 355.482 2.842 20 30 FFEDLO COCCC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001111244865 1022574618 /nfs/dbraw/zinc/57/46/18/1022574618.db2.gz WMWUDIACDBLALT-JRJVTICQSA-N 1 2 373.472 2.982 20 30 FFEDLO COCCC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001111244865 1022574629 /nfs/dbraw/zinc/57/46/29/1022574629.db2.gz WMWUDIACDBLALT-JRJVTICQSA-N 1 2 373.472 2.982 20 30 FFEDLO CC(C)(C)OC(=O)NCC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000780310971 1022582994 /nfs/dbraw/zinc/58/29/94/1022582994.db2.gz ARALNGYVCKBFDZ-KRWDZBQOSA-N 1 2 362.449 2.533 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(CC(C)C)CC(C)C)C2 ZINC001111475104 1022648087 /nfs/dbraw/zinc/64/80/87/1022648087.db2.gz XOECDTVBDHUWSD-QRVBRYPASA-N 1 2 363.546 2.719 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(CC(C)C)CC(C)C)C2 ZINC001111475104 1022648095 /nfs/dbraw/zinc/64/80/95/1022648095.db2.gz XOECDTVBDHUWSD-QRVBRYPASA-N 1 2 363.546 2.719 20 30 FFEDLO C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000779094857 1022791042 /nfs/dbraw/zinc/79/10/42/1022791042.db2.gz FVIBYRWTWBULJA-GMNBZTITSA-N 1 2 353.422 2.601 20 30 FFEDLO CC(C)CC[C@@](C)(O)CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000752721341 1023196446 /nfs/dbraw/zinc/19/64/46/1023196446.db2.gz DGKSGGOJZYKTPK-OAQYLSRUSA-N 1 2 370.497 2.833 20 30 FFEDLO CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc3c[nH+]cn3c2C)n1 ZINC001122414447 1023253767 /nfs/dbraw/zinc/25/37/67/1023253767.db2.gz DYLPWDFAVWWZJJ-CYBMUJFWSA-N 1 2 354.391 2.766 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2CCC(C)(C)O2)CC1=O ZINC000189442097 1023281611 /nfs/dbraw/zinc/28/16/11/1023281611.db2.gz INTGMGZHRBYFAI-CYBMUJFWSA-N 1 2 354.454 2.604 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1Nc1cccc(OC)c1 ZINC001122479183 1023295099 /nfs/dbraw/zinc/29/50/99/1023295099.db2.gz QMNXLCTYMJQIEO-UHFFFAOYSA-N 1 2 371.485 2.811 20 30 FFEDLO C=C(C)Cn1c([C@@H](C)CCC#N)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001122526909 1023320113 /nfs/dbraw/zinc/32/01/13/1023320113.db2.gz XHPVVWNRWIKQPH-KRWDZBQOSA-N 1 2 365.485 2.983 20 30 FFEDLO COc1ccc(C(C)=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)cc1Cn1cccn1 ZINC000753934715 1023401737 /nfs/dbraw/zinc/40/17/37/1023401737.db2.gz JTFAIBJRPRPIPH-ROUUACIJSA-N 1 2 366.469 2.524 20 30 FFEDLO Cc1nn(-c2ccc(F)cc2)c(C)c1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753937637 1023402547 /nfs/dbraw/zinc/40/25/47/1023402547.db2.gz YOBCBFNXQOJJAN-HDICACEKSA-N 1 2 354.433 2.822 20 30 FFEDLO CN(c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@@H]1CCCO1)C1CCC1 ZINC001122781574 1023469214 /nfs/dbraw/zinc/46/92/14/1023469214.db2.gz KJYOVGFMOPMUQB-SFHVURJKSA-N 1 2 372.517 2.539 20 30 FFEDLO C=CCn1nnn(C[N@H+]2CCC[C@H]2Cn2c(C)nc3ccccc32)c1=S ZINC000755763038 1023634486 /nfs/dbraw/zinc/63/44/86/1023634486.db2.gz NGFHHOIMIFUOKK-HNNXBMFYSA-N 1 2 369.498 2.775 20 30 FFEDLO C=CCn1nnn(C[N@@H+]2CCC[C@H]2Cn2c(C)nc3ccccc32)c1=S ZINC000755763038 1023634489 /nfs/dbraw/zinc/63/44/89/1023634489.db2.gz NGFHHOIMIFUOKK-HNNXBMFYSA-N 1 2 369.498 2.775 20 30 FFEDLO C#CCN(C)c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1C[C@H]1CCCCO1 ZINC001123168394 1023666990 /nfs/dbraw/zinc/66/69/90/1023666990.db2.gz NLXIWIDKASRWJX-QZTJIDSGSA-N 1 2 370.501 2.749 20 30 FFEDLO C#CCN(c1nnc(Cc2[nH+]ccn2C)n1C)[C@H]1CCCc2ccccc21 ZINC001121268600 1023680077 /nfs/dbraw/zinc/68/00/77/1023680077.db2.gz SEGWUNFPXFBFIJ-SFHVURJKSA-N 1 2 360.465 2.657 20 30 FFEDLO C=CCN(CC=C)c1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1C ZINC001121396974 1023750012 /nfs/dbraw/zinc/75/00/12/1023750012.db2.gz JGQWRUNPAKCUDQ-SFHVURJKSA-N 1 2 353.470 2.567 20 30 FFEDLO C=CCN(CC=C)c1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1C ZINC001121396974 1023750019 /nfs/dbraw/zinc/75/00/19/1023750019.db2.gz JGQWRUNPAKCUDQ-SFHVURJKSA-N 1 2 353.470 2.567 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3CC(C)C)[C@H]2C1 ZINC001222781633 1033159667 /nfs/dbraw/zinc/15/96/67/1033159667.db2.gz OIARBAHJGHMSGX-MSOLQXFVSA-N 1 2 359.518 2.713 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3CC(C)C)[C@H]2C1 ZINC001222781633 1033159673 /nfs/dbraw/zinc/15/96/73/1033159673.db2.gz OIARBAHJGHMSGX-MSOLQXFVSA-N 1 2 359.518 2.713 20 30 FFEDLO C=CC1CCN(c2nnc([C@@H]3C[N@H+](C(C)C)CCO3)n2CC2CC2)CC1 ZINC001123493730 1023831623 /nfs/dbraw/zinc/83/16/23/1023831623.db2.gz DHKGBPWRHXDXDB-SFHVURJKSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CC1CCN(c2nnc([C@@H]3C[N@@H+](C(C)C)CCO3)n2CC2CC2)CC1 ZINC001123493730 1023831627 /nfs/dbraw/zinc/83/16/27/1023831627.db2.gz DHKGBPWRHXDXDB-SFHVURJKSA-N 1 2 359.518 2.872 20 30 FFEDLO CCCCCCCOc1cccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000779432801 1023847761 /nfs/dbraw/zinc/84/77/61/1023847761.db2.gz IWFVNLCTZDZAFG-SFHVURJKSA-N 1 2 359.470 2.772 20 30 FFEDLO CCCCCCCOc1cccc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000779432801 1023847766 /nfs/dbraw/zinc/84/77/66/1023847766.db2.gz IWFVNLCTZDZAFG-SFHVURJKSA-N 1 2 359.470 2.772 20 30 FFEDLO N#C[C@@H]1C[C@H]1c1nnc(N2CCC(Nc3cccc[nH+]3)CC2)n1CC1CC1 ZINC001123589816 1023886213 /nfs/dbraw/zinc/88/62/13/1023886213.db2.gz PQMTZUUVVRJNKD-DOTOQJQBSA-N 1 2 363.469 2.791 20 30 FFEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 ZINC000758035409 1023910508 /nfs/dbraw/zinc/91/05/08/1023910508.db2.gz LPKNMDCXCKGVTD-KYJSFNMBSA-N 1 2 370.453 2.826 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2C2CCCCC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121709033 1023938632 /nfs/dbraw/zinc/93/86/32/1023938632.db2.gz PTZVOMHDDCHPRS-DBXWQHBBSA-N 1 2 373.545 2.925 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2C2CCCCC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121709033 1023938635 /nfs/dbraw/zinc/93/86/35/1023938635.db2.gz PTZVOMHDDCHPRS-DBXWQHBBSA-N 1 2 373.545 2.925 20 30 FFEDLO COc1cccc(CC2CC[NH+](Cn3ccc(C)c(C#N)c3=O)CC2)c1 ZINC000758245908 1023991513 /nfs/dbraw/zinc/99/15/13/1023991513.db2.gz BSBLWZSOBUBIDO-UHFFFAOYSA-N 1 2 351.450 2.949 20 30 FFEDLO C[NH+](C)Cc1nc(CNC(=O)c2cn(CCCC#N)c3ccccc23)co1 ZINC001123972552 1024188743 /nfs/dbraw/zinc/18/87/43/1024188743.db2.gz ZNJBJQGOBSFSQS-UHFFFAOYSA-N 1 2 365.437 2.925 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@@H+]([C@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001101252379 1024201420 /nfs/dbraw/zinc/20/14/20/1024201420.db2.gz LHLNUHUXDKVYHX-SXGZJXTBSA-N 1 2 359.518 2.811 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@H+]([C@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001101252379 1024201433 /nfs/dbraw/zinc/20/14/33/1024201433.db2.gz LHLNUHUXDKVYHX-SXGZJXTBSA-N 1 2 359.518 2.811 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001101337670 1024485895 /nfs/dbraw/zinc/48/58/95/1024485895.db2.gz HXGAWHBKXJBMHX-KHYOSLBOSA-N 1 2 364.921 2.956 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001101337670 1024485903 /nfs/dbraw/zinc/48/59/03/1024485903.db2.gz HXGAWHBKXJBMHX-KHYOSLBOSA-N 1 2 364.921 2.956 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3CC(C)C)C[C@@]2(C)C1 ZINC001101346951 1024511427 /nfs/dbraw/zinc/51/14/27/1024511427.db2.gz OGNXSWJUBAPQMF-XLIONFOSSA-N 1 2 359.518 2.571 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@H+](Cc3ncnn3CC(C)C)C[C@@]2(C)C1 ZINC001101346951 1024511440 /nfs/dbraw/zinc/51/14/40/1024511440.db2.gz OGNXSWJUBAPQMF-XLIONFOSSA-N 1 2 359.518 2.571 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](Cc2ccc(OC)c(C)c2)C1 ZINC000951785366 1024703640 /nfs/dbraw/zinc/70/36/40/1024703640.db2.gz KOSHFJZRTOWNAE-MOPGFXCFSA-N 1 2 358.482 2.627 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccnc2OC)cc1 ZINC001095854231 1025097272 /nfs/dbraw/zinc/09/72/72/1025097272.db2.gz RTVHGYSEJCQFLH-AABGKKOBSA-N 1 2 361.445 2.607 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccnc2OC)cc1 ZINC001095854231 1025097283 /nfs/dbraw/zinc/09/72/83/1025097283.db2.gz RTVHGYSEJCQFLH-AABGKKOBSA-N 1 2 361.445 2.607 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000954047674 1025432227 /nfs/dbraw/zinc/43/22/27/1025432227.db2.gz MHXXCYPHQWZIIW-QINHECLXSA-N 1 2 358.486 2.565 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000954047674 1025432231 /nfs/dbraw/zinc/43/22/31/1025432231.db2.gz MHXXCYPHQWZIIW-QINHECLXSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2noc(-c3ccoc3)n2)C[C@H]1C ZINC001102229995 1025614896 /nfs/dbraw/zinc/61/48/96/1025614896.db2.gz NLRWVJKZXHYUSU-UKRRQHHQSA-N 1 2 358.442 2.726 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2noc(-c3ccoc3)n2)C[C@H]1C ZINC001102229995 1025614898 /nfs/dbraw/zinc/61/48/98/1025614898.db2.gz NLRWVJKZXHYUSU-UKRRQHHQSA-N 1 2 358.442 2.726 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ncccn2)c(OC)c1 ZINC000639838290 1026491870 /nfs/dbraw/zinc/49/18/70/1026491870.db2.gz DTSFGSLVOFFWDY-QZTJIDSGSA-N 1 2 369.465 2.791 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2ncccn2)c(OC)c1 ZINC000639838290 1026491877 /nfs/dbraw/zinc/49/18/77/1026491877.db2.gz DTSFGSLVOFFWDY-QZTJIDSGSA-N 1 2 369.465 2.791 20 30 FFEDLO C=CCOCC(=O)NCC[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001102770735 1026634722 /nfs/dbraw/zinc/63/47/22/1026634722.db2.gz NRCKECVNQQWFDJ-CHWSQXEVSA-N 1 2 357.907 2.573 20 30 FFEDLO C=CCOCC(=O)NCC[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001102770735 1026634727 /nfs/dbraw/zinc/63/47/27/1026634727.db2.gz NRCKECVNQQWFDJ-CHWSQXEVSA-N 1 2 357.907 2.573 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000839627059 1026765270 /nfs/dbraw/zinc/76/52/70/1026765270.db2.gz VYVYNTGKTNNHQT-LPHOPBHVSA-N 1 2 362.433 2.725 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000839627059 1026765276 /nfs/dbraw/zinc/76/52/76/1026765276.db2.gz VYVYNTGKTNNHQT-LPHOPBHVSA-N 1 2 362.433 2.725 20 30 FFEDLO Cc1cnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)c(C#N)n1 ZINC001158550993 1027059201 /nfs/dbraw/zinc/05/92/01/1027059201.db2.gz DPFSPRBAVDFRNO-MRXNPFEDSA-N 1 2 361.371 2.910 20 30 FFEDLO Cc1cnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)c(C#N)n1 ZINC001158550993 1027059209 /nfs/dbraw/zinc/05/92/09/1027059209.db2.gz DPFSPRBAVDFRNO-MRXNPFEDSA-N 1 2 361.371 2.910 20 30 FFEDLO N#Cc1cnc(N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c(F)c1 ZINC001158586099 1027068838 /nfs/dbraw/zinc/06/88/38/1027068838.db2.gz OVNRTKBRVCHKHZ-SJLPKXTDSA-N 1 2 368.412 2.963 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCCN(c2cc(C)c(C(=O)OCC)c(C)[nH+]2)C1 ZINC001158911995 1027188264 /nfs/dbraw/zinc/18/82/64/1027188264.db2.gz XLVLLCYXOQMMOG-HNNXBMFYSA-N 1 2 361.442 2.756 20 30 FFEDLO CSc1nc(C[N@@H+]2CCC[C@H](Oc3nccnc3C)C2)ccc1C#N ZINC001141945714 1027200450 /nfs/dbraw/zinc/20/04/50/1027200450.db2.gz JXBDHMVUQJWRNQ-INIZCTEOSA-N 1 2 355.467 2.817 20 30 FFEDLO CSc1nc(C[N@H+]2CCC[C@H](Oc3nccnc3C)C2)ccc1C#N ZINC001141945714 1027200465 /nfs/dbraw/zinc/20/04/65/1027200465.db2.gz JXBDHMVUQJWRNQ-INIZCTEOSA-N 1 2 355.467 2.817 20 30 FFEDLO CO[C@@H]1C[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C12CCC2 ZINC000840703957 1027221349 /nfs/dbraw/zinc/22/13/49/1027221349.db2.gz LHRBAXPGVLJIIJ-IAGOWNOFSA-N 1 2 366.465 2.604 20 30 FFEDLO CC#CCCCC(=O)NCC[C@@H]1C[N@H+](Cc2noc(C(C)C)n2)C[C@H]1C ZINC001103338643 1027257566 /nfs/dbraw/zinc/25/75/66/1027257566.db2.gz NCOMNWXTWHTNND-IAGOWNOFSA-N 1 2 360.502 2.961 20 30 FFEDLO CC#CCCCC(=O)NCC[C@@H]1C[N@@H+](Cc2noc(C(C)C)n2)C[C@H]1C ZINC001103338643 1027257582 /nfs/dbraw/zinc/25/75/82/1027257582.db2.gz NCOMNWXTWHTNND-IAGOWNOFSA-N 1 2 360.502 2.961 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1=CC[N@H+](Cc2coc(C)n2)CC1 ZINC001161451485 1028182854 /nfs/dbraw/zinc/18/28/54/1028182854.db2.gz DVPZXCDIAMADPP-OALUTQOASA-N 1 2 359.470 2.603 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1=CC[N@@H+](Cc2coc(C)n2)CC1 ZINC001161451485 1028182860 /nfs/dbraw/zinc/18/28/60/1028182860.db2.gz DVPZXCDIAMADPP-OALUTQOASA-N 1 2 359.470 2.603 20 30 FFEDLO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NCc1c[nH+]cn1C(C)C ZINC001161570493 1028232998 /nfs/dbraw/zinc/23/29/98/1028232998.db2.gz YHQQEMIBHZPAAF-AWEZNQCLSA-N 1 2 364.409 2.799 20 30 FFEDLO CN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1cc(F)ccc1C#N ZINC001162467271 1028548004 /nfs/dbraw/zinc/54/80/04/1028548004.db2.gz YZTAUIKERGDKSS-UHFFFAOYSA-N 1 2 362.449 2.686 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnsc2Cl)C1 ZINC001104092251 1028560769 /nfs/dbraw/zinc/56/07/69/1028560769.db2.gz MUAVUXLQUPAUFG-ZIAGYGMSSA-N 1 2 368.934 2.959 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2ccc(F)cc2)nnc1Cl ZINC001164675791 1029350203 /nfs/dbraw/zinc/35/02/03/1029350203.db2.gz RHYLEXJZEYYMIP-GFCCVEGCSA-N 1 2 367.762 2.783 20 30 FFEDLO N=C(Nc1ncnc2c1C[N@H+](Cc1ccccc1)CC2)c1nccs1 ZINC001157491507 1029595964 /nfs/dbraw/zinc/59/59/64/1029595964.db2.gz VWAREYWOCLKNCH-UHFFFAOYSA-N 1 2 350.451 2.528 20 30 FFEDLO N=C(Nc1ncnc2c1C[N@@H+](Cc1ccccc1)CC2)c1nccs1 ZINC001157491507 1029595977 /nfs/dbraw/zinc/59/59/77/1029595977.db2.gz VWAREYWOCLKNCH-UHFFFAOYSA-N 1 2 350.451 2.528 20 30 FFEDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nc(C)ccc1C#N ZINC001157503095 1029599045 /nfs/dbraw/zinc/59/90/45/1029599045.db2.gz DUBNTMKFZUNIFA-LJQANCHMSA-N 1 2 364.449 2.516 20 30 FFEDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nc(C)ccc1C#N ZINC001157503095 1029599052 /nfs/dbraw/zinc/59/90/52/1029599052.db2.gz DUBNTMKFZUNIFA-LJQANCHMSA-N 1 2 364.449 2.516 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(C3CC3)nn1C)C2 ZINC001111848516 1029612910 /nfs/dbraw/zinc/61/29/10/1029612910.db2.gz JPSOUPVOQWXKDS-WJPUGNRLSA-N 1 2 371.529 2.766 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(C3CC3)nn1C)C2 ZINC001111848516 1029612915 /nfs/dbraw/zinc/61/29/15/1029612915.db2.gz JPSOUPVOQWXKDS-WJPUGNRLSA-N 1 2 371.529 2.766 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H](C)[C@H](C)O1 ZINC000782629348 1029767996 /nfs/dbraw/zinc/76/79/96/1029767996.db2.gz RYLPKVLBGWAVIQ-HGTKMLMNSA-N 1 2 350.422 2.721 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H](C)[C@H](C)O1 ZINC000782629348 1029768002 /nfs/dbraw/zinc/76/80/02/1029768002.db2.gz RYLPKVLBGWAVIQ-HGTKMLMNSA-N 1 2 350.422 2.721 20 30 FFEDLO Cc1cc(C#N)c(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)nc1C ZINC001165690613 1030085935 /nfs/dbraw/zinc/08/59/35/1030085935.db2.gz FWQGSVPTMLBUDY-QGZVFWFLSA-N 1 2 351.454 2.830 20 30 FFEDLO Cc1cnc(N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)c(C#N)c1 ZINC001165739370 1030104079 /nfs/dbraw/zinc/10/40/79/1030104079.db2.gz VWTGOCUIHOSLMY-MRXNPFEDSA-N 1 2 360.421 2.569 20 30 FFEDLO Cc1ccnc(N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)c1C#N ZINC001165738811 1030104169 /nfs/dbraw/zinc/10/41/69/1030104169.db2.gz MSCTYTRWWRHPSG-MRXNPFEDSA-N 1 2 360.421 2.569 20 30 FFEDLO N#Cc1ccc2cc[nH+]c(N3C[C@@H]4C(=O)N(Cc5ccncc5)C[C@@H]4C3)c2c1 ZINC001165943420 1030178976 /nfs/dbraw/zinc/17/89/76/1030178976.db2.gz MDYCGIJVMOHHBO-ICSRJNTNSA-N 1 2 369.428 2.596 20 30 FFEDLO CN(CCCN(C)c1cccc(F)c1C#N)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001112195914 1030208455 /nfs/dbraw/zinc/20/84/55/1030208455.db2.gz DZJJVMQLHMEXTG-ZIAGYGMSSA-N 1 2 355.417 2.509 20 30 FFEDLO CN(CCCN(C)c1cccc(F)c1C#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001112195914 1030208471 /nfs/dbraw/zinc/20/84/71/1030208471.db2.gz DZJJVMQLHMEXTG-ZIAGYGMSSA-N 1 2 355.417 2.509 20 30 FFEDLO N#CCc1cc[nH+]c(N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)c1 ZINC001166128579 1030266278 /nfs/dbraw/zinc/26/62/78/1030266278.db2.gz UMGSILSGUCTNTM-UHFFFAOYSA-N 1 2 361.449 2.704 20 30 FFEDLO C=CCN1C(=O)N[C@@H](c2cc(-n3cc[nH+]c3)cs2)C(C(=O)N(C)C)=C1C ZINC000783927380 1030346739 /nfs/dbraw/zinc/34/67/39/1030346739.db2.gz QHRJWJJWANNJPT-INIZCTEOSA-N 1 2 371.466 2.548 20 30 FFEDLO N#Cc1ccc(CC2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1 ZINC001166766684 1030512091 /nfs/dbraw/zinc/51/20/91/1030512091.db2.gz JZHNKRXUYYQXQQ-UHFFFAOYSA-N 1 2 363.465 2.644 20 30 FFEDLO N#Cc1ccc(CC2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1 ZINC001166766684 1030512101 /nfs/dbraw/zinc/51/21/01/1030512101.db2.gz JZHNKRXUYYQXQQ-UHFFFAOYSA-N 1 2 363.465 2.644 20 30 FFEDLO C=CCn1c(=O)c2ccc(-c3nc(C4([NH3+])CCCC4)no3)cc2[nH]c1=S ZINC000842587522 1030798837 /nfs/dbraw/zinc/79/88/37/1030798837.db2.gz AADUCRNMSSZHET-UHFFFAOYSA-N 1 2 369.450 2.649 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1cn(C)c2ccccc12 ZINC001204316808 1031224833 /nfs/dbraw/zinc/22/48/33/1031224833.db2.gz OPDBQKJTIZWNTE-LJQANCHMSA-N 1 2 351.454 2.609 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1cn(C)c2ccccc12 ZINC001204316808 1031224842 /nfs/dbraw/zinc/22/48/42/1031224842.db2.gz OPDBQKJTIZWNTE-LJQANCHMSA-N 1 2 351.454 2.609 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](Oc3ccc(C(N)=O)cc3)C2)c1F ZINC001143179139 1031284805 /nfs/dbraw/zinc/28/48/05/1031284805.db2.gz URNOOAYURNXPLW-MRXNPFEDSA-N 1 2 371.387 2.979 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](Oc3ccc(C(N)=O)cc3)C2)c1F ZINC001143179139 1031284815 /nfs/dbraw/zinc/28/48/15/1031284815.db2.gz URNOOAYURNXPLW-MRXNPFEDSA-N 1 2 371.387 2.979 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]Cc2ncccn2)C1 ZINC001205563266 1031836594 /nfs/dbraw/zinc/83/65/94/1031836594.db2.gz MKVPTTXAFNPFAV-FUHWJXTLSA-N 1 2 354.429 2.666 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@@H]1O ZINC001219523801 1033675212 /nfs/dbraw/zinc/67/52/12/1033675212.db2.gz OPZUGEDHLZIIFR-JLZZUVOBSA-N 1 2 352.837 2.505 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@@H]1O ZINC001219523801 1033675223 /nfs/dbraw/zinc/67/52/23/1033675223.db2.gz OPZUGEDHLZIIFR-JLZZUVOBSA-N 1 2 352.837 2.505 20 30 FFEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nc(C)no4)[C@H]3C2)CCCCC1 ZINC001224271829 1033817577 /nfs/dbraw/zinc/81/75/77/1033817577.db2.gz XECZIIMVVNNPDI-MSOLQXFVSA-N 1 2 370.497 2.775 20 30 FFEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nc(C)no4)[C@H]3C2)CCCCC1 ZINC001224271829 1033817597 /nfs/dbraw/zinc/81/75/97/1033817597.db2.gz XECZIIMVVNNPDI-MSOLQXFVSA-N 1 2 370.497 2.775 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc4cccnc43)n2CC2CC2)CC1 ZINC000830863420 1033831324 /nfs/dbraw/zinc/83/13/24/1033831324.db2.gz RDBGHWBZBWROEZ-UHFFFAOYSA-N 1 2 372.476 2.659 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CCCc3ccccc3)n2CC2CC2)CC1 ZINC000830892947 1033847623 /nfs/dbraw/zinc/84/76/23/1033847623.db2.gz CNVBQJYIUFRVGK-UHFFFAOYSA-N 1 2 363.509 2.619 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)cc2F)C[C@@H]1O ZINC001220149265 1034005769 /nfs/dbraw/zinc/00/57/69/1034005769.db2.gz FNRPTKNAAAIHDL-ZMYBRWDISA-N 1 2 364.436 2.771 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)cc2F)C[C@@H]1O ZINC001220149265 1034005784 /nfs/dbraw/zinc/00/57/84/1034005784.db2.gz FNRPTKNAAAIHDL-ZMYBRWDISA-N 1 2 364.436 2.771 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)C[C@@H]1O ZINC001220201001 1034042651 /nfs/dbraw/zinc/04/26/51/1034042651.db2.gz CFXYUAKQPUCXHO-OLMNPRSZSA-N 1 2 350.890 2.912 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)C[C@@H]1O ZINC001220201001 1034042666 /nfs/dbraw/zinc/04/26/66/1034042666.db2.gz CFXYUAKQPUCXHO-OLMNPRSZSA-N 1 2 350.890 2.912 20 30 FFEDLO Cc1ncsc1C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)c1cnc(C)c(C#N)c1)C2 ZINC001277008932 1034069750 /nfs/dbraw/zinc/06/97/50/1034069750.db2.gz CEVIBMPFCPVDBA-CALCHBBNSA-N 1 2 367.478 2.516 20 30 FFEDLO Cc1ncsc1C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)c1cnc(C)c(C#N)c1)C2 ZINC001277008932 1034069759 /nfs/dbraw/zinc/06/97/59/1034069759.db2.gz CEVIBMPFCPVDBA-CALCHBBNSA-N 1 2 367.478 2.516 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C(C)C)n3)C[C@@H]2O)CC1 ZINC001220280931 1034095364 /nfs/dbraw/zinc/09/53/64/1034095364.db2.gz YYXPTCSWJNXFCT-MOPGFXCFSA-N 1 2 357.498 2.613 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C(C)C)n3)C[C@@H]2O)CC1 ZINC001220280931 1034095380 /nfs/dbraw/zinc/09/53/80/1034095380.db2.gz YYXPTCSWJNXFCT-MOPGFXCFSA-N 1 2 357.498 2.613 20 30 FFEDLO CC(C)CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001220403794 1034152111 /nfs/dbraw/zinc/15/21/11/1034152111.db2.gz GDLHPJNJURLPLI-MOPGFXCFSA-N 1 2 362.901 2.679 20 30 FFEDLO CC(C)CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001220403794 1034152117 /nfs/dbraw/zinc/15/21/17/1034152117.db2.gz GDLHPJNJURLPLI-MOPGFXCFSA-N 1 2 362.901 2.679 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncsc1Br ZINC001225425945 1034247802 /nfs/dbraw/zinc/24/78/02/1034247802.db2.gz AIKVJSBGGDZKCT-HBNTYKKESA-N 1 2 371.304 2.582 20 30 FFEDLO CCC[C@H](CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001220632032 1034306859 /nfs/dbraw/zinc/30/68/59/1034306859.db2.gz YMAXTZJEPJSRTN-UHOSZYNNSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC[C@H](CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001220632032 1034306865 /nfs/dbraw/zinc/30/68/65/1034306865.db2.gz YMAXTZJEPJSRTN-UHOSZYNNSA-N 1 2 362.901 2.679 20 30 FFEDLO C=CCc1cccc(C[N@@H+]2CCc3c(nnn3CC3CC3)[C@@H]2COC)c1O ZINC001138627085 1034477414 /nfs/dbraw/zinc/47/74/14/1034477414.db2.gz WQHUBNKXFHDFNL-IBGZPJMESA-N 1 2 368.481 2.868 20 30 FFEDLO C=CCc1cccc(C[N@H+]2CCc3c(nnn3CC3CC3)[C@@H]2COC)c1O ZINC001138627085 1034477422 /nfs/dbraw/zinc/47/74/22/1034477422.db2.gz WQHUBNKXFHDFNL-IBGZPJMESA-N 1 2 368.481 2.868 20 30 FFEDLO CCCC[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)C(C)C ZINC001221111035 1034550865 /nfs/dbraw/zinc/55/08/65/1034550865.db2.gz UNLACINEPSXUSS-HBMCJLEFSA-N 1 2 356.510 2.662 20 30 FFEDLO CCCC[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)C(C)C ZINC001221111035 1034550872 /nfs/dbraw/zinc/55/08/72/1034550872.db2.gz UNLACINEPSXUSS-HBMCJLEFSA-N 1 2 356.510 2.662 20 30 FFEDLO CCC[C@H](CC(C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001221126237 1034563249 /nfs/dbraw/zinc/56/32/49/1034563249.db2.gz DEDDTSZNKCDQKW-OLMNPRSZSA-N 1 2 363.527 2.743 20 30 FFEDLO CCC[C@H](CC(C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001221126237 1034563260 /nfs/dbraw/zinc/56/32/60/1034563260.db2.gz DEDDTSZNKCDQKW-OLMNPRSZSA-N 1 2 363.527 2.743 20 30 FFEDLO CC(C)OCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221298860 1034657321 /nfs/dbraw/zinc/65/73/21/1034657321.db2.gz FHHWKKAQPWNOTN-IEBWSBKVSA-N 1 2 359.445 2.545 20 30 FFEDLO CC(C)OCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221298860 1034657326 /nfs/dbraw/zinc/65/73/26/1034657326.db2.gz FHHWKKAQPWNOTN-IEBWSBKVSA-N 1 2 359.445 2.545 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccc(CC)cc3)C[C@H]21 ZINC001221424326 1034740399 /nfs/dbraw/zinc/74/03/99/1034740399.db2.gz AMPOAXDKJZANTR-IEBWSBKVSA-N 1 2 355.482 2.686 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccc(CC)cc3)C[C@H]21 ZINC001221424326 1034740415 /nfs/dbraw/zinc/74/04/15/1034740415.db2.gz AMPOAXDKJZANTR-IEBWSBKVSA-N 1 2 355.482 2.686 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3cc(C)ccc3C)C[C@H]21 ZINC001221424743 1034741653 /nfs/dbraw/zinc/74/16/53/1034741653.db2.gz MZGOQWHDMFKLSP-IEBWSBKVSA-N 1 2 355.482 2.741 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3cc(C)ccc3C)C[C@H]21 ZINC001221424743 1034741669 /nfs/dbraw/zinc/74/16/69/1034741669.db2.gz MZGOQWHDMFKLSP-IEBWSBKVSA-N 1 2 355.482 2.741 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)c3nc(-c4ccco4)no3)C[C@H]21 ZINC001221512545 1034830086 /nfs/dbraw/zinc/83/00/86/1034830086.db2.gz FSMIHDYLOFPRLP-BZUAXINKSA-N 1 2 368.437 2.727 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)c3nc(-c4ccco4)no3)C[C@H]21 ZINC001221512545 1034830090 /nfs/dbraw/zinc/83/00/90/1034830090.db2.gz FSMIHDYLOFPRLP-BZUAXINKSA-N 1 2 368.437 2.727 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CCOCC4CC4)[C@@H]3C2)c(F)c1 ZINC001221547668 1034865610 /nfs/dbraw/zinc/86/56/10/1034865610.db2.gz UHZFBQOMGFMDTA-UYAOXDASSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCOCC4CC4)[C@@H]3C2)c(F)c1 ZINC001221547668 1034865615 /nfs/dbraw/zinc/86/56/15/1034865615.db2.gz UHZFBQOMGFMDTA-UYAOXDASSA-N 1 2 371.456 2.547 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)cs3)C[C@H]21 ZINC001221718224 1035007675 /nfs/dbraw/zinc/00/76/75/1035007675.db2.gz GWQRPGVXJYCJHI-MDZRGWNJSA-N 1 2 363.527 2.713 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)cs3)C[C@H]21 ZINC001221718224 1035007683 /nfs/dbraw/zinc/00/76/83/1035007683.db2.gz GWQRPGVXJYCJHI-MDZRGWNJSA-N 1 2 363.527 2.713 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)CCCCCC)[C@@H]2C1 ZINC001221731473 1035021918 /nfs/dbraw/zinc/02/19/18/1035021918.db2.gz GYUHYHFASBEREB-IPMKNSEASA-N 1 2 363.546 2.818 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)CCCCCC)[C@@H]2C1 ZINC001221731473 1035021926 /nfs/dbraw/zinc/02/19/26/1035021926.db2.gz GYUHYHFASBEREB-IPMKNSEASA-N 1 2 363.546 2.818 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc2cc(O)ccc2c1 ZINC001139336630 1035064181 /nfs/dbraw/zinc/06/41/81/1035064181.db2.gz VMDSSXBCBFKOQJ-HXUWFJFHSA-N 1 2 364.449 2.976 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc2cc(O)ccc2c1 ZINC001139336630 1035064187 /nfs/dbraw/zinc/06/41/87/1035064187.db2.gz VMDSSXBCBFKOQJ-HXUWFJFHSA-N 1 2 364.449 2.976 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCC(C)CC3)C[C@H]21 ZINC001221783520 1035065657 /nfs/dbraw/zinc/06/56/57/1035065657.db2.gz ODLLUJSMPNQZMW-JWHDQAAXSA-N 1 2 361.530 2.570 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCC(C)CC3)C[C@H]21 ZINC001221783520 1035065667 /nfs/dbraw/zinc/06/56/67/1035065667.db2.gz ODLLUJSMPNQZMW-JWHDQAAXSA-N 1 2 361.530 2.570 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001221839157 1035105317 /nfs/dbraw/zinc/10/53/17/1035105317.db2.gz HFLKWGJHWFEUTM-UKRRQHHQSA-N 1 2 366.456 2.993 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001221839157 1035105322 /nfs/dbraw/zinc/10/53/22/1035105322.db2.gz HFLKWGJHWFEUTM-UKRRQHHQSA-N 1 2 366.456 2.993 20 30 FFEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1ccc(C#N)c(F)c1 ZINC001139528644 1035148990 /nfs/dbraw/zinc/14/89/90/1035148990.db2.gz WPZXWDRLPZJJCP-IBGZPJMESA-N 1 2 369.444 2.710 20 30 FFEDLO COCCC(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221912159 1035151743 /nfs/dbraw/zinc/15/17/43/1035151743.db2.gz PZQXMMHXEXOSFG-RTBURBONSA-N 1 2 355.482 2.654 20 30 FFEDLO COCCC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221912159 1035151746 /nfs/dbraw/zinc/15/17/46/1035151746.db2.gz PZQXMMHXEXOSFG-RTBURBONSA-N 1 2 355.482 2.654 20 30 FFEDLO Cn1cc(N2C[C@@]3(CC[N@H+](Cc4cccc(Cl)c4C#N)C3)CC2=O)cn1 ZINC001139689299 1035198659 /nfs/dbraw/zinc/19/86/59/1035198659.db2.gz LMISXEJWNPCBMZ-IBGZPJMESA-N 1 2 369.856 2.574 20 30 FFEDLO Cn1cc(N2C[C@@]3(CC[N@@H+](Cc4cccc(Cl)c4C#N)C3)CC2=O)cn1 ZINC001139689299 1035198661 /nfs/dbraw/zinc/19/86/61/1035198661.db2.gz LMISXEJWNPCBMZ-IBGZPJMESA-N 1 2 369.856 2.574 20 30 FFEDLO N#Cc1ccc2[nH]cc(C[NH+]3CCN(C(=O)Cc4ccccc4)CC3)c2c1 ZINC001140116420 1035346542 /nfs/dbraw/zinc/34/65/42/1035346542.db2.gz YDKDYYRMAPZWPX-UHFFFAOYSA-N 1 2 358.445 2.926 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140603980 1035711187 /nfs/dbraw/zinc/71/11/87/1035711187.db2.gz LROHTJLDHGQYPH-LSDHHAIUSA-N 1 2 365.861 2.672 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140603980 1035711209 /nfs/dbraw/zinc/71/12/09/1035711209.db2.gz LROHTJLDHGQYPH-LSDHHAIUSA-N 1 2 365.861 2.672 20 30 FFEDLO N#Cc1ccnc(C[NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)c1 ZINC001232481935 1035726325 /nfs/dbraw/zinc/72/63/25/1035726325.db2.gz LHADWPFHWXJJDD-UHFFFAOYSA-N 1 2 356.433 2.732 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)c(F)cc1OCC ZINC001277673389 1035743948 /nfs/dbraw/zinc/74/39/48/1035743948.db2.gz MMQMZVJIRYAOSE-HXUWFJFHSA-N 1 2 362.420 2.954 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)c(F)cc1OCC ZINC001277673389 1035743965 /nfs/dbraw/zinc/74/39/65/1035743965.db2.gz MMQMZVJIRYAOSE-HXUWFJFHSA-N 1 2 362.420 2.954 20 30 FFEDLO N#Cc1ccc(O)c(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001232676427 1035933305 /nfs/dbraw/zinc/93/33/05/1035933305.db2.gz JRHAWUYVDFDBAG-QUCCMNQESA-N 1 2 367.424 2.740 20 30 FFEDLO N#Cc1ccc(O)c(CN2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001232676427 1035933321 /nfs/dbraw/zinc/93/33/21/1035933321.db2.gz JRHAWUYVDFDBAG-QUCCMNQESA-N 1 2 367.424 2.740 20 30 FFEDLO N#Cc1ccc(O)c(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001232676425 1035933691 /nfs/dbraw/zinc/93/36/91/1035933691.db2.gz JRHAWUYVDFDBAG-ICSRJNTNSA-N 1 2 367.424 2.740 20 30 FFEDLO N#Cc1ccc(O)c(CN2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001232676425 1035933705 /nfs/dbraw/zinc/93/37/05/1035933705.db2.gz JRHAWUYVDFDBAG-ICSRJNTNSA-N 1 2 367.424 2.740 20 30 FFEDLO CCN1CCn2c(C)cnc2C12CC[NH+](Cc1cc(C#N)ccc1O)CC2 ZINC001232676764 1035933806 /nfs/dbraw/zinc/93/38/06/1035933806.db2.gz CLRMOAMOCAHKQU-UHFFFAOYSA-N 1 2 365.481 2.596 20 30 FFEDLO CCOc1cc(C#N)c(Br)cc1O[C@H](C)C[NH+]1CCOCC1 ZINC001228458467 1036124652 /nfs/dbraw/zinc/12/46/52/1036124652.db2.gz FPJXRTXTPMTLFR-GFCCVEGCSA-N 1 2 369.259 2.819 20 30 FFEDLO N#Cc1ccc(F)cc1C[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC001232887236 1036129778 /nfs/dbraw/zinc/12/97/78/1036129778.db2.gz IOFBGTQRAXNCKJ-UHFFFAOYSA-N 1 2 364.424 2.626 20 30 FFEDLO C[C@@H]1C[NH+](C2CN(Cc3ccc(Br)c(C#N)c3)C2)C[C@@H](C)O1 ZINC001232897994 1036139277 /nfs/dbraw/zinc/13/92/77/1036139277.db2.gz WSSYUFGSQIWSOK-CHWSQXEVSA-N 1 2 364.287 2.614 20 30 FFEDLO N#Cc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001232924162 1036160845 /nfs/dbraw/zinc/16/08/45/1036160845.db2.gz RZAGGRDCKMQYEE-UHFFFAOYSA-N 1 2 368.506 2.882 20 30 FFEDLO N#Cc1cccc(CN2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001232924162 1036160851 /nfs/dbraw/zinc/16/08/51/1036160851.db2.gz RZAGGRDCKMQYEE-UHFFFAOYSA-N 1 2 368.506 2.882 20 30 FFEDLO Cc1cc(N2CC[NH+](Cc3cccc(C#N)n3)CC2)n(-c2ccccc2)n1 ZINC001232926672 1036163467 /nfs/dbraw/zinc/16/34/67/1036163467.db2.gz ZPIHIIZHCQBVOM-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cccc(OCOC)c1 ZINC001233280745 1036490393 /nfs/dbraw/zinc/49/03/93/1036490393.db2.gz AXYLSLMIKPNIER-LJQANCHMSA-N 1 2 357.454 2.705 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cccc(OCOC)c1 ZINC001233280745 1036490395 /nfs/dbraw/zinc/49/03/95/1036490395.db2.gz AXYLSLMIKPNIER-LJQANCHMSA-N 1 2 357.454 2.705 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ccc(C(=[NH2+])NO)c(F)c2)C1 ZINC001229084415 1036492106 /nfs/dbraw/zinc/49/21/06/1036492106.db2.gz URNOSNKYCFHTLS-MRXNPFEDSA-N 1 2 354.385 2.655 20 30 FFEDLO N#Cc1ccccc1CN1CC[C@@H](Oc2ccc(C(=[NH2+])NO)c(F)c2)C1 ZINC001229084415 1036492130 /nfs/dbraw/zinc/49/21/30/1036492130.db2.gz URNOSNKYCFHTLS-MRXNPFEDSA-N 1 2 354.385 2.655 20 30 FFEDLO CC(C)COC[C@H]1C[N@H+](Cc2ccc(C#N)cc2O)Cc2ncn(C)c21 ZINC001233384336 1036582029 /nfs/dbraw/zinc/58/20/29/1036582029.db2.gz ROJIDMQFOPFGJU-QGZVFWFLSA-N 1 2 354.454 2.769 20 30 FFEDLO CC(C)COC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2O)Cc2ncn(C)c21 ZINC001233384336 1036582044 /nfs/dbraw/zinc/58/20/44/1036582044.db2.gz ROJIDMQFOPFGJU-QGZVFWFLSA-N 1 2 354.454 2.769 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(O)c1 ZINC001233385400 1036584717 /nfs/dbraw/zinc/58/47/17/1036584717.db2.gz GXTHHWSHYGNGKH-AZUAARDMSA-N 1 2 367.424 2.740 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(O)c1 ZINC001233385400 1036584731 /nfs/dbraw/zinc/58/47/31/1036584731.db2.gz GXTHHWSHYGNGKH-AZUAARDMSA-N 1 2 367.424 2.740 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc2cccc(O)c2n1 ZINC001141022880 1036746786 /nfs/dbraw/zinc/74/67/86/1036746786.db2.gz ALKIZYYWGRHTMM-SFHVURJKSA-N 1 2 364.449 2.976 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc2cccc(O)c2n1 ZINC001141022880 1036746805 /nfs/dbraw/zinc/74/68/05/1036746805.db2.gz ALKIZYYWGRHTMM-SFHVURJKSA-N 1 2 364.449 2.976 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](Cc2cnccc2C)Cc2nnn(CC3CC3)c21 ZINC001141034139 1036786912 /nfs/dbraw/zinc/78/69/12/1036786912.db2.gz RLCCKMQSCDXODE-GOSISDBHSA-N 1 2 353.470 2.694 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](Cc2cnccc2C)Cc2nnn(CC3CC3)c21 ZINC001141034139 1036786927 /nfs/dbraw/zinc/78/69/27/1036786927.db2.gz RLCCKMQSCDXODE-GOSISDBHSA-N 1 2 353.470 2.694 20 30 FFEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(Cl)ccnc1F)CC2 ZINC001277822136 1036834020 /nfs/dbraw/zinc/83/40/20/1036834020.db2.gz QKKVNTGNJYSYKY-AWEZNQCLSA-N 1 2 364.852 2.896 20 30 FFEDLO Cc1nc(OCC(=O)OC(C)C)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229770360 1036882540 /nfs/dbraw/zinc/88/25/40/1036882540.db2.gz ZJYOUCSJEGHXTK-UHFFFAOYSA-N 1 2 350.378 2.907 20 30 FFEDLO COc1c(Br)cc(F)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001234199409 1036962402 /nfs/dbraw/zinc/96/24/02/1036962402.db2.gz LYZJGKPUVBGOHT-DSRGUXITSA-N 1 2 358.207 2.588 20 30 FFEDLO COc1c(Br)cc(F)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001234199409 1036962415 /nfs/dbraw/zinc/96/24/15/1036962415.db2.gz LYZJGKPUVBGOHT-DSRGUXITSA-N 1 2 358.207 2.588 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2ccn(-c3ccccc3F)n2)C[C@H]1C ZINC001206945992 1036965541 /nfs/dbraw/zinc/96/55/41/1036965541.db2.gz FBUPAKVFVVSWJU-VQIMIIECSA-N 1 2 368.456 2.607 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2ccn(-c3ccccc3F)n2)C[C@H]1C ZINC001206945992 1036965553 /nfs/dbraw/zinc/96/55/53/1036965553.db2.gz FBUPAKVFVVSWJU-VQIMIIECSA-N 1 2 368.456 2.607 20 30 FFEDLO CC(C)c1ccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC3CC3)C2)cc1 ZINC001206948409 1036969290 /nfs/dbraw/zinc/96/92/90/1036969290.db2.gz JGJQYVJARZNUTK-OXQOHEQNSA-N 1 2 367.493 2.598 20 30 FFEDLO CC(C)c1ccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC3CC3)C2)cc1 ZINC001206948409 1036969298 /nfs/dbraw/zinc/96/92/98/1036969298.db2.gz JGJQYVJARZNUTK-OXQOHEQNSA-N 1 2 367.493 2.598 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(C)c(C)o2)C[C@H]1C ZINC001206968194 1036997868 /nfs/dbraw/zinc/99/78/68/1036997868.db2.gz UENQJNIPGARCCA-CRAIPNDOSA-N 1 2 363.502 2.991 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](Cc2nc(C)c(C)o2)C[C@H]1C ZINC001206968194 1036997885 /nfs/dbraw/zinc/99/78/85/1036997885.db2.gz UENQJNIPGARCCA-CRAIPNDOSA-N 1 2 363.502 2.991 20 30 FFEDLO Cc1ccc(N2CCC[C@@H](Oc3[nH]c(=O)nc4ccc(C#N)cc43)C2)[nH+]c1 ZINC001234529663 1037073156 /nfs/dbraw/zinc/07/31/56/1037073156.db2.gz CYWQPDAMTLPXCT-OAHLLOKOSA-N 1 2 361.405 2.958 20 30 FFEDLO C=CC(=O)OC[C@@H](COC(=O)C(=C)C)Oc1ccc(C(=[NH2+])OCC)cc1 ZINC001234587869 1037102423 /nfs/dbraw/zinc/10/24/23/1037102423.db2.gz DWTYUVOSXYCLTI-INIZCTEOSA-N 1 2 361.394 2.644 20 30 FFEDLO Cc1nc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC#Cc2ccccc2)no1 ZINC001230229794 1037163565 /nfs/dbraw/zinc/16/35/65/1037163565.db2.gz WPJFMUGFYDFNQO-ATZDWAIDSA-N 1 2 366.465 2.898 20 30 FFEDLO C=CCN1CC[C@]2(CCCN(c3nc(N(C)CC)c(C)c[nH+]3)CC2)C1=O ZINC001277921061 1037348854 /nfs/dbraw/zinc/34/88/54/1037348854.db2.gz HCJYCRNGPBLTFC-FQEVSTJZSA-N 1 2 357.502 2.636 20 30 FFEDLO C=CC(C)(C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001231274407 1037520465 /nfs/dbraw/zinc/52/04/65/1037520465.db2.gz ZIDAZMMXZCAXMT-JKSUJKDBSA-N 1 2 351.878 2.976 20 30 FFEDLO C=CC(C)(C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001231274407 1037520469 /nfs/dbraw/zinc/52/04/69/1037520469.db2.gz ZIDAZMMXZCAXMT-JKSUJKDBSA-N 1 2 351.878 2.976 20 30 FFEDLO CCCCCCCNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001231387452 1037557449 /nfs/dbraw/zinc/55/74/49/1037557449.db2.gz MFNGLPLRVOSSIU-MRXNPFEDSA-N 1 2 370.538 2.807 20 30 FFEDLO CCCCCCCNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001231387452 1037557466 /nfs/dbraw/zinc/55/74/66/1037557466.db2.gz MFNGLPLRVOSSIU-MRXNPFEDSA-N 1 2 370.538 2.807 20 30 FFEDLO COCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001277973290 1037783910 /nfs/dbraw/zinc/78/39/10/1037783910.db2.gz BSBFTSYJTQKGJP-HXUWFJFHSA-N 1 2 359.445 2.691 20 30 FFEDLO COCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)ccc1C#N ZINC001277973290 1037783920 /nfs/dbraw/zinc/78/39/20/1037783920.db2.gz BSBFTSYJTQKGJP-HXUWFJFHSA-N 1 2 359.445 2.691 20 30 FFEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3ccccc3s2)C1 ZINC001207878408 1037805506 /nfs/dbraw/zinc/80/55/06/1037805506.db2.gz SIQUOYAWSMBVBF-IJEWVQPXSA-N 1 2 371.506 2.642 20 30 FFEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3ccccc3s2)C1 ZINC001207878408 1037805519 /nfs/dbraw/zinc/80/55/19/1037805519.db2.gz SIQUOYAWSMBVBF-IJEWVQPXSA-N 1 2 371.506 2.642 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3ccccc3)n2C)C[C@H]1C ZINC001208309514 1038204196 /nfs/dbraw/zinc/20/41/96/1038204196.db2.gz OYWBPPPEMKZAME-NVXWUHKLSA-N 1 2 367.497 2.631 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3ccccc3)n2C)C[C@H]1C ZINC001208309514 1038204210 /nfs/dbraw/zinc/20/42/10/1038204210.db2.gz OYWBPPPEMKZAME-NVXWUHKLSA-N 1 2 367.497 2.631 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)no2)C[C@H]1C ZINC001208318040 1038210475 /nfs/dbraw/zinc/21/04/75/1038210475.db2.gz GSDTVJIVYHNKEJ-GDBMZVCRSA-N 1 2 354.454 2.885 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccccc3)no2)C[C@H]1C ZINC001208318040 1038210489 /nfs/dbraw/zinc/21/04/89/1038210489.db2.gz GSDTVJIVYHNKEJ-GDBMZVCRSA-N 1 2 354.454 2.885 20 30 FFEDLO Cc1ncsc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)ccc1O ZINC001278895254 1038238153 /nfs/dbraw/zinc/23/81/53/1038238153.db2.gz MJZYPXKMMIWDKT-CALCHBBNSA-N 1 2 354.479 2.878 20 30 FFEDLO C=CCOC(=O)N1CCN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236908394 1038346838 /nfs/dbraw/zinc/34/68/38/1038346838.db2.gz HQNXUAMOGSVHDV-UHFFFAOYSA-N 1 2 360.845 2.966 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(O)cc(Br)c2)C1=O ZINC001278027210 1038352055 /nfs/dbraw/zinc/35/20/55/1038352055.db2.gz GHFARHSEKGPSIQ-KRWDZBQOSA-N 1 2 365.271 2.908 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(O)cc(Br)c2)C1=O ZINC001278027210 1038352061 /nfs/dbraw/zinc/35/20/61/1038352061.db2.gz GHFARHSEKGPSIQ-KRWDZBQOSA-N 1 2 365.271 2.908 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001208508855 1038370951 /nfs/dbraw/zinc/37/09/51/1038370951.db2.gz JRKNHFPFFPPRQO-BLIXFSHQSA-N 1 2 357.498 2.972 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001208508855 1038370963 /nfs/dbraw/zinc/37/09/63/1038370963.db2.gz JRKNHFPFFPPRQO-BLIXFSHQSA-N 1 2 357.498 2.972 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CCCC(F)(F)F)s1 ZINC001278925896 1038465538 /nfs/dbraw/zinc/46/55/38/1038465538.db2.gz RWLCJQRWGJEZMP-BETUJISGSA-N 1 2 359.417 2.847 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CCCC(F)(F)F)s1 ZINC001278925896 1038465545 /nfs/dbraw/zinc/46/55/45/1038465545.db2.gz RWLCJQRWGJEZMP-BETUJISGSA-N 1 2 359.417 2.847 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001208954234 1038605522 /nfs/dbraw/zinc/60/55/22/1038605522.db2.gz HVJIARBLIQITAT-RHSMWYFYSA-N 1 2 361.461 2.803 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001208954234 1038605529 /nfs/dbraw/zinc/60/55/29/1038605529.db2.gz HVJIARBLIQITAT-RHSMWYFYSA-N 1 2 361.461 2.803 20 30 FFEDLO CCCCN1CCC2(CC[NH+](CC(=O)c3ccc(C#N)cc3)CC2)C1=O ZINC001276626669 1038729525 /nfs/dbraw/zinc/72/95/25/1038729525.db2.gz BYWWYYVAVGPXNG-UHFFFAOYSA-N 1 2 353.466 2.856 20 30 FFEDLO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251033902 1038906109 /nfs/dbraw/zinc/90/61/09/1038906109.db2.gz OXEXNTAIQXVJSD-KRWDZBQOSA-N 1 2 366.965 2.674 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1nn(C)c3ccccc13)CC2 ZINC001209580350 1039017210 /nfs/dbraw/zinc/01/72/10/1039017210.db2.gz RHKKJQWJFISJCZ-UHFFFAOYSA-N 1 2 351.454 2.568 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1nn(C)c3ccccc13)CC2 ZINC001209580350 1039017223 /nfs/dbraw/zinc/01/72/23/1039017223.db2.gz RHKKJQWJFISJCZ-UHFFFAOYSA-N 1 2 351.454 2.568 20 30 FFEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](C)Cc1ccccc1OC ZINC001258886388 1039561307 /nfs/dbraw/zinc/56/13/07/1039561307.db2.gz KERCYBFMCZESDL-KXBFYZLASA-N 1 2 352.434 2.872 20 30 FFEDLO CCc1noc([C@@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)n1 ZINC001211223661 1040008652 /nfs/dbraw/zinc/00/86/52/1040008652.db2.gz BOCZVLUAKIWJJQ-JFIYKMOQSA-N 1 2 366.465 2.571 20 30 FFEDLO CCc1noc([C@@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)n1 ZINC001211223661 1040008670 /nfs/dbraw/zinc/00/86/70/1040008670.db2.gz BOCZVLUAKIWJJQ-JFIYKMOQSA-N 1 2 366.465 2.571 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1C)c1ccccc1 ZINC001211228015 1040012581 /nfs/dbraw/zinc/01/25/81/1040012581.db2.gz HGZQDKUGPJQTAB-IIDMSEBBSA-N 1 2 356.495 2.835 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1C)c1ccccc1 ZINC001211228015 1040012595 /nfs/dbraw/zinc/01/25/95/1040012595.db2.gz HGZQDKUGPJQTAB-IIDMSEBBSA-N 1 2 356.495 2.835 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(OCCOC)c2)C1 ZINC001211261858 1040045860 /nfs/dbraw/zinc/04/58/60/1040045860.db2.gz OYZURBXRQYFHPA-CXAGYDPISA-N 1 2 352.862 2.514 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(OCCOC)c2)C1 ZINC001211261858 1040045878 /nfs/dbraw/zinc/04/58/78/1040045878.db2.gz OYZURBXRQYFHPA-CXAGYDPISA-N 1 2 352.862 2.514 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[N@H+]1CCc2c(nnn2C)[C@H]1COCC=C ZINC001253235967 1040059816 /nfs/dbraw/zinc/05/98/16/1040059816.db2.gz PMOOCLUSWSGDKQ-IEBWSBKVSA-N 1 2 362.518 2.804 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1CCc2c(nnn2C)[C@H]1COCC=C ZINC001253235967 1040059824 /nfs/dbraw/zinc/05/98/24/1040059824.db2.gz PMOOCLUSWSGDKQ-IEBWSBKVSA-N 1 2 362.518 2.804 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2ccc(C)o2)C1 ZINC001211282142 1040060023 /nfs/dbraw/zinc/06/00/23/1040060023.db2.gz DRHGJLYNNPAALV-IAQYHMDHSA-N 1 2 355.276 2.866 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2ccc(C)o2)C1 ZINC001211282142 1040060039 /nfs/dbraw/zinc/06/00/39/1040060039.db2.gz DRHGJLYNNPAALV-IAQYHMDHSA-N 1 2 355.276 2.866 20 30 FFEDLO COCc1ccc(C[NH+]2CC3(C2)CCN(Cc2cc(C#N)n(C)c2)C3)s1 ZINC001278725563 1040213239 /nfs/dbraw/zinc/21/32/39/1040213239.db2.gz VEXSZISNROZBDU-UHFFFAOYSA-N 1 2 370.522 2.813 20 30 FFEDLO C#CC[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1C)c1ccccc1 ZINC001211473648 1040238039 /nfs/dbraw/zinc/23/80/39/1040238039.db2.gz WSJHEUQYEOJIFM-MISYRCLQSA-N 1 2 362.477 2.610 20 30 FFEDLO C#CC[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ncccn2)C[C@H]1C)c1ccccc1 ZINC001211473648 1040238053 /nfs/dbraw/zinc/23/80/53/1040238053.db2.gz WSJHEUQYEOJIFM-MISYRCLQSA-N 1 2 362.477 2.610 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@H]2CN(Cc3cc(F)cc(C#N)c3)C[C@@H](C1)O2 ZINC001278734586 1040294886 /nfs/dbraw/zinc/29/48/86/1040294886.db2.gz BUYJHQXENZMSKS-HDICACEKSA-N 1 2 372.469 2.548 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CN(Cc3cc(F)cc(C#N)c3)C[C@@H](C1)O2 ZINC001278734586 1040294898 /nfs/dbraw/zinc/29/48/98/1040294898.db2.gz BUYJHQXENZMSKS-HDICACEKSA-N 1 2 372.469 2.548 20 30 FFEDLO C=CCS(=O)(=O)N(C)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001259927429 1040302111 /nfs/dbraw/zinc/30/21/11/1040302111.db2.gz DZKKEQOOZHSBDQ-UHFFFAOYSA-N 1 2 356.491 2.908 20 30 FFEDLO N#Cc1cc(Br)ccc1-c1noc([C@@H]2CSCC[NH2+]2)n1 ZINC001248596820 1040336473 /nfs/dbraw/zinc/33/64/73/1040336473.db2.gz DZUIQBRQPHVGEP-NSHDSACASA-N 1 2 351.229 2.748 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3oc(CC)nc3C)C[C@H]2OC)CCC1 ZINC001213397788 1040511116 /nfs/dbraw/zinc/51/11/16/1040511116.db2.gz YTAUKAAZVJWTLR-NVXWUHKLSA-N 1 2 361.486 2.607 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3oc(CC)nc3C)C[C@H]2OC)CCC1 ZINC001213397788 1040511138 /nfs/dbraw/zinc/51/11/38/1040511138.db2.gz YTAUKAAZVJWTLR-NVXWUHKLSA-N 1 2 361.486 2.607 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H](C)CC(C)(C)C ZINC001213538078 1040655496 /nfs/dbraw/zinc/65/54/96/1040655496.db2.gz CDNBIQYAZJOARB-DFQSSKMNSA-N 1 2 356.510 2.926 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H](C)CC(C)(C)C ZINC001213538078 1040655507 /nfs/dbraw/zinc/65/55/07/1040655507.db2.gz CDNBIQYAZJOARB-DFQSSKMNSA-N 1 2 356.510 2.926 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3nc(Br)oc3C)C2)C1=O ZINC001249387438 1040709523 /nfs/dbraw/zinc/70/95/23/1040709523.db2.gz CMEIODSBDCSNFC-MRXNPFEDSA-N 1 2 368.275 2.746 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+](Cc3nc(Br)oc3C)C2)C1=O ZINC001249387438 1040709538 /nfs/dbraw/zinc/70/95/38/1040709538.db2.gz CMEIODSBDCSNFC-MRXNPFEDSA-N 1 2 368.275 2.746 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)CCC1(C)CC1 ZINC001213666940 1040777787 /nfs/dbraw/zinc/77/77/87/1040777787.db2.gz NZZOJOWSMMQBBC-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)CCC1(C)CC1 ZINC001213666940 1040777806 /nfs/dbraw/zinc/77/78/06/1040777806.db2.gz NZZOJOWSMMQBBC-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2sc3ccccc3c2Cl)CC1 ZINC001213772657 1040889428 /nfs/dbraw/zinc/88/94/28/1040889428.db2.gz AKJAAKHYLJJAKT-UHFFFAOYSA-N 1 2 368.911 2.931 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1OC)c1ccccc1 ZINC001213897816 1041042888 /nfs/dbraw/zinc/04/28/88/1041042888.db2.gz LGGYNQPFDAKBIJ-NSISKUIASA-N 1 2 369.465 2.658 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1OC)c1ccccc1 ZINC001213897816 1041042903 /nfs/dbraw/zinc/04/29/03/1041042903.db2.gz LGGYNQPFDAKBIJ-NSISKUIASA-N 1 2 369.465 2.658 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)C[C@H]1OC ZINC001213961902 1041120577 /nfs/dbraw/zinc/12/05/77/1041120577.db2.gz VYIWXIMNCSJIIO-ZTFGCOKTSA-N 1 2 366.889 2.555 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)C[C@H]1OC ZINC001213961902 1041120584 /nfs/dbraw/zinc/12/05/84/1041120584.db2.gz VYIWXIMNCSJIIO-ZTFGCOKTSA-N 1 2 366.889 2.555 20 30 FFEDLO CCOC(=O)[C@H]1C[C@@H]2C[N@@H+]([C@@H](CC)CC#N)C[C@@H]2N1C(=O)OC(C)(C)C ZINC001255166269 1041178910 /nfs/dbraw/zinc/17/89/10/1041178910.db2.gz HWEFYHFKXDDIBZ-QXSJWSMHSA-N 1 2 365.474 2.552 20 30 FFEDLO CCOC(=O)[C@H]1C[C@@H]2C[N@H+]([C@@H](CC)CC#N)C[C@@H]2N1C(=O)OC(C)(C)C ZINC001255166269 1041178916 /nfs/dbraw/zinc/17/89/16/1041178916.db2.gz HWEFYHFKXDDIBZ-QXSJWSMHSA-N 1 2 365.474 2.552 20 30 FFEDLO Cc1ccc(-c2nc3cc(C(=O)N4CC[NH+](C)CC4)ccc3[nH]2)cc1C#N ZINC001250803312 1041373598 /nfs/dbraw/zinc/37/35/98/1041373598.db2.gz AMISDKDGKYMRSA-UHFFFAOYSA-N 1 2 359.433 2.798 20 30 FFEDLO C=CCCCN(CC)C(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC001262224430 1041606607 /nfs/dbraw/zinc/60/66/07/1041606607.db2.gz WHMBDSHRAVZSDY-UHFFFAOYSA-N 1 2 358.486 2.503 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC001215379366 1041765101 /nfs/dbraw/zinc/76/51/01/1041765101.db2.gz LTDMFPLIUOEWCM-ZHALLVOQSA-N 1 2 367.497 2.806 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(OCC)s3)C2)CCC1 ZINC001215478207 1041799117 /nfs/dbraw/zinc/79/91/17/1041799117.db2.gz JLJQXFYSCWTSQD-ZIAGYGMSSA-N 1 2 364.515 2.620 20 30 FFEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@H]2C[C@@H]2C#N)n1C ZINC001262880783 1041926426 /nfs/dbraw/zinc/92/64/26/1041926426.db2.gz MEMKAIBAGKDQKI-SJORKVTESA-N 1 2 365.485 2.580 20 30 FFEDLO C=CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnn2)C1)c1ccccc1 ZINC001216806224 1042128634 /nfs/dbraw/zinc/12/86/34/1042128634.db2.gz GQZJWNZZEOGAAF-ZTFGCOKTSA-N 1 2 356.495 2.835 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)c1cnc(C2CC2)o1 ZINC001263660868 1042423497 /nfs/dbraw/zinc/42/34/97/1042423497.db2.gz RPTQALKVKYVSNA-UHFFFAOYSA-N 1 2 372.446 2.654 20 30 FFEDLO CC1(C)[C@@H]2CN(c3nnc(C4CC[NH+](CCC#N)CC4)n3CC3CC3)C[C@@H]21 ZINC001263756259 1042469169 /nfs/dbraw/zinc/46/91/69/1042469169.db2.gz JKUMTEURHVIMIF-HDICACEKSA-N 1 2 368.529 2.873 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CCOC)C1 ZINC001264037799 1042590562 /nfs/dbraw/zinc/59/05/62/1042590562.db2.gz ASEFNDFHBKLRFZ-IAGOWNOFSA-N 1 2 354.853 2.889 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CCOC)C1 ZINC001264037799 1042590569 /nfs/dbraw/zinc/59/05/69/1042590569.db2.gz ASEFNDFHBKLRFZ-IAGOWNOFSA-N 1 2 354.853 2.889 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)CC[C@@H]2C1 ZINC001264097773 1042623838 /nfs/dbraw/zinc/62/38/38/1042623838.db2.gz WYIMNYKQLXTIJP-CVEARBPZSA-N 1 2 357.502 2.565 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)CC[C@@H]2C1 ZINC001264097773 1042623839 /nfs/dbraw/zinc/62/38/39/1042623839.db2.gz WYIMNYKQLXTIJP-CVEARBPZSA-N 1 2 357.502 2.565 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nc(-c3ccoc3)no2)[C@@H]1C ZINC001264156503 1042642514 /nfs/dbraw/zinc/64/25/14/1042642514.db2.gz YYRZHQSDLYGZCI-ZBFHGGJFSA-N 1 2 356.426 2.602 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(-c3ccoc3)no2)[C@@H]1C ZINC001264156503 1042642517 /nfs/dbraw/zinc/64/25/17/1042642517.db2.gz YYRZHQSDLYGZCI-ZBFHGGJFSA-N 1 2 356.426 2.602 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CCc2ccncc2)[C@H]1C ZINC001264709047 1042791389 /nfs/dbraw/zinc/79/13/89/1042791389.db2.gz CGJYQGVKLYSJLC-HIFRSBDPSA-N 1 2 352.276 2.502 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CCc2ccncc2)[C@H]1C ZINC001264709047 1042791395 /nfs/dbraw/zinc/79/13/95/1042791395.db2.gz CGJYQGVKLYSJLC-HIFRSBDPSA-N 1 2 352.276 2.502 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001264722195 1042803931 /nfs/dbraw/zinc/80/39/31/1042803931.db2.gz GYXDSASPNREIIV-BEFAXECRSA-N 1 2 370.884 2.626 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001264722195 1042803936 /nfs/dbraw/zinc/80/39/36/1042803936.db2.gz GYXDSASPNREIIV-BEFAXECRSA-N 1 2 370.884 2.626 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001264734731 1042816755 /nfs/dbraw/zinc/81/67/55/1042816755.db2.gz BCRHRPKLMCYUFX-APWZRJJASA-N 1 2 360.885 2.863 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001264734731 1042816758 /nfs/dbraw/zinc/81/67/58/1042816758.db2.gz BCRHRPKLMCYUFX-APWZRJJASA-N 1 2 360.885 2.863 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@H]2CN(Cc3ccc(C#N)cc3F)C[C@@H](C1)O2 ZINC001279226595 1042953421 /nfs/dbraw/zinc/95/34/21/1042953421.db2.gz NAGRCCHWDXEGEP-CALCHBBNSA-N 1 2 372.469 2.548 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CN(Cc3ccc(C#N)cc3F)C[C@@H](C1)O2 ZINC001279226595 1042953423 /nfs/dbraw/zinc/95/34/23/1042953423.db2.gz NAGRCCHWDXEGEP-CALCHBBNSA-N 1 2 372.469 2.548 20 30 FFEDLO C=CCOc1cccc(C[N@H+]2C[C@H]3CN(Cc4ccc[nH]4)C[C@@H](C2)O3)c1 ZINC001279298894 1042989211 /nfs/dbraw/zinc/98/92/11/1042989211.db2.gz MPYHUHAVZGAXNN-OYRHEFFESA-N 1 2 353.466 2.665 20 30 FFEDLO C=CCOc1cccc(C[N@@H+]2C[C@H]3CN(Cc4ccc[nH]4)C[C@@H](C2)O3)c1 ZINC001279298894 1042989212 /nfs/dbraw/zinc/98/92/12/1042989212.db2.gz MPYHUHAVZGAXNN-OYRHEFFESA-N 1 2 353.466 2.665 20 30 FFEDLO Cc1cc(F)c(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c(F)c1 ZINC001279341560 1043013275 /nfs/dbraw/zinc/01/32/75/1043013275.db2.gz QUJLMFOBNPNJIK-UHFFFAOYSA-N 1 2 356.420 2.801 20 30 FFEDLO CS(=O)(=O)c1cccc(C2CC[NH+](Cc3ccnc(C#N)c3)CC2)c1 ZINC001237463311 1043180538 /nfs/dbraw/zinc/18/05/38/1043180538.db2.gz OYRNBZBAWKQSIK-UHFFFAOYSA-N 1 2 355.463 2.736 20 30 FFEDLO CCOC(=O)Cc1ccc(C[NH+]2CC(Oc3ccccc3C#N)C2)cc1 ZINC001237484227 1043196391 /nfs/dbraw/zinc/19/63/91/1043196391.db2.gz UHGXYGZCMVTXLK-UHFFFAOYSA-N 1 2 350.418 2.927 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3cn4cc(C#N)ccc4n3)[C@@H]2C1 ZINC001237604451 1043264152 /nfs/dbraw/zinc/26/41/52/1043264152.db2.gz OBKVJNYYEJNIAZ-DOTOQJQBSA-N 1 2 367.453 2.647 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3cn4cc(C#N)ccc4n3)[C@@H]2C1 ZINC001237604451 1043264160 /nfs/dbraw/zinc/26/41/60/1043264160.db2.gz OBKVJNYYEJNIAZ-DOTOQJQBSA-N 1 2 367.453 2.647 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[N@@H+]2Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237603688 1043264587 /nfs/dbraw/zinc/26/45/87/1043264587.db2.gz FHIMQFBLQUUHCP-DOTOQJQBSA-N 1 2 367.453 2.647 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[N@H+]2Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237603688 1043264597 /nfs/dbraw/zinc/26/45/97/1043264597.db2.gz FHIMQFBLQUUHCP-DOTOQJQBSA-N 1 2 367.453 2.647 20 30 FFEDLO CSc1cc(C)c(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)cn1 ZINC001279590095 1043303134 /nfs/dbraw/zinc/30/31/34/1043303134.db2.gz VVSBULLUGVFGLB-UHFFFAOYSA-N 1 2 367.522 2.640 20 30 FFEDLO CCc1ccc([C@H]2CN(S(=O)(=O)c3cc(F)cc(C#N)c3)CC[NH2+]2)cc1 ZINC001309970259 1043617603 /nfs/dbraw/zinc/61/76/03/1043617603.db2.gz HAUDTYPWHFUPFP-LJQANCHMSA-N 1 2 373.453 2.595 20 30 FFEDLO Cc1ccc(C#N)c(NC(=O)[C@H]2CC23C[NH+](Cc2ccnc(F)c2)C3)c1 ZINC001279802693 1043669754 /nfs/dbraw/zinc/66/97/54/1043669754.db2.gz WBRZPRKTQIMCRA-MRXNPFEDSA-N 1 2 350.397 2.861 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(OC)c(O)c3F)C2)CC1 ZINC001238366655 1043672496 /nfs/dbraw/zinc/67/24/96/1043672496.db2.gz PROSYQCASZWSTJ-UHFFFAOYSA-N 1 2 364.417 2.760 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(CCc4ccc(F)c(F)c4)C3)C2)cc1C#N ZINC001278281191 1043895579 /nfs/dbraw/zinc/89/55/79/1043895579.db2.gz FJBTVHGJBTXPII-UHFFFAOYSA-N 1 2 356.420 2.535 20 30 FFEDLO COc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2C[C@@]21C(=O)N1CC(CC#N)C1 ZINC001279932649 1043939368 /nfs/dbraw/zinc/93/93/68/1043939368.db2.gz AEYAPUPQLCLTEG-BEFAXECRSA-N 1 2 359.857 2.685 20 30 FFEDLO COc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2C[C@@]21C(=O)N1CC(CC#N)C1 ZINC001279932649 1043939378 /nfs/dbraw/zinc/93/93/78/1043939378.db2.gz AEYAPUPQLCLTEG-BEFAXECRSA-N 1 2 359.857 2.685 20 30 FFEDLO N#CC1(NC(=O)[C@@H]2CC23C[NH+](Cc2cccc(Br)c2)C3)CCC1 ZINC001279997374 1044064959 /nfs/dbraw/zinc/06/49/59/1044064959.db2.gz QFGJWMYKFDDGIA-HNNXBMFYSA-N 1 2 374.282 2.833 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)[C@@H]1CC13C[NH+](Cc1cnco1)C3)CCCC2 ZINC001280044917 1044129948 /nfs/dbraw/zinc/12/99/48/1044129948.db2.gz UKSBYTNMESCCAC-HNNXBMFYSA-N 1 2 368.462 2.947 20 30 FFEDLO N#Cc1cc(CN2CC3(C2)C[NH+](Cc2cccc(=O)[nH]2)C3)ccc1Cl ZINC001280075166 1044174596 /nfs/dbraw/zinc/17/45/96/1044174596.db2.gz WNRTXEUUHPJZSI-UHFFFAOYSA-N 1 2 354.841 2.630 20 30 FFEDLO CC[N@@H+]1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC001280260442 1044490762 /nfs/dbraw/zinc/49/07/62/1044490762.db2.gz TWVHAPHZSKWFEH-IYDIDCQVSA-N 1 2 359.495 2.671 20 30 FFEDLO CC[N@H+]1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC001280260442 1044490767 /nfs/dbraw/zinc/49/07/67/1044490767.db2.gz TWVHAPHZSKWFEH-IYDIDCQVSA-N 1 2 359.495 2.671 20 30 FFEDLO Cc1conc1C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001316718731 1044575774 /nfs/dbraw/zinc/57/57/74/1044575774.db2.gz BWGRHSHODLSFHE-LSBZLQRGSA-N 1 2 352.438 2.617 20 30 FFEDLO Cc1conc1C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001316718731 1044575790 /nfs/dbraw/zinc/57/57/90/1044575790.db2.gz BWGRHSHODLSFHE-LSBZLQRGSA-N 1 2 352.438 2.617 20 30 FFEDLO CCOC(=O)c1cc(C)nc(-c2ccccc2C[NH+]2CCOCC2)c1C#N ZINC001241984354 1044651472 /nfs/dbraw/zinc/65/14/72/1044651472.db2.gz MPLMFQNWHJCKGH-UHFFFAOYSA-N 1 2 365.433 2.938 20 30 FFEDLO Cc1cccn2cc(CCNC(=O)NCc3cccc(OCC#N)c3)[nH+]c12 ZINC001319003021 1044979029 /nfs/dbraw/zinc/97/90/29/1044979029.db2.gz GNQSAOQMZFBVPJ-UHFFFAOYSA-N 1 2 363.421 2.587 20 30 FFEDLO COc1ccc(-c2ccc(OCC[NH+]3CCOCC3)cc2F)nc1CC#N ZINC001244136616 1045088938 /nfs/dbraw/zinc/08/89/38/1045088938.db2.gz QFJIXNVWQHWVMI-UHFFFAOYSA-N 1 2 371.412 2.673 20 30 FFEDLO N#Cc1c[nH]c2nccc(-c3ccc(OCC[NH+]4CCOCC4)cc3F)c12 ZINC001244138299 1045090511 /nfs/dbraw/zinc/09/05/11/1045090511.db2.gz UPABRZKNQXRJCD-UHFFFAOYSA-N 1 2 366.396 2.903 20 30 FFEDLO N#Cc1ccc(N2C[C@H](C(=O)Nc3cccc(-n4cc[nH+]c4)c3)CC2=O)cc1 ZINC001318048909 1045201109 /nfs/dbraw/zinc/20/11/09/1045201109.db2.gz NKLKRIJLZSGUGC-MRXNPFEDSA-N 1 2 371.400 2.736 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2CCCCSC)CC1 ZINC001539438201 1070637996 /nfs/dbraw/zinc/63/79/96/1070637996.db2.gz RHQMKRGTSPOHES-UHFFFAOYSA-N 1 2 373.526 2.745 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCCCS2)CC1 ZINC001539447467 1070639331 /nfs/dbraw/zinc/63/93/31/1070639331.db2.gz SEMWHPCJJNVGAO-GOSISDBHSA-N 1 2 373.570 2.977 20 30 FFEDLO C=CCN1CC[C@@H](OC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(C)c2)C1=O ZINC001321186286 1045580608 /nfs/dbraw/zinc/58/06/08/1045580608.db2.gz ZPRNEUXIOUGOSC-RTBURBONSA-N 1 2 356.466 2.680 20 30 FFEDLO C=CCN1CC[C@@H](OC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(C)c2)C1=O ZINC001321186286 1045580618 /nfs/dbraw/zinc/58/06/18/1045580618.db2.gz ZPRNEUXIOUGOSC-RTBURBONSA-N 1 2 356.466 2.680 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001282545011 1045829637 /nfs/dbraw/zinc/82/96/37/1045829637.db2.gz BPPWMAMHDKWWMH-QINHECLXSA-N 1 2 360.502 2.545 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001282545011 1045829649 /nfs/dbraw/zinc/82/96/49/1045829649.db2.gz BPPWMAMHDKWWMH-QINHECLXSA-N 1 2 360.502 2.545 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCCC1 ZINC001283865951 1046442773 /nfs/dbraw/zinc/44/27/73/1046442773.db2.gz ZYZOQLOCCSGFDB-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCCC1 ZINC001283865951 1046442777 /nfs/dbraw/zinc/44/27/77/1046442777.db2.gz ZYZOQLOCCSGFDB-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C#CCNC(=O)c1cccc(-c2noc(C[N@@H+](C)Cc3ccccc3)n2)c1 ZINC001325463308 1046517004 /nfs/dbraw/zinc/51/70/04/1046517004.db2.gz GKMGEGVXHBYHNI-UHFFFAOYSA-N 1 2 360.417 2.732 20 30 FFEDLO C#CCNC(=O)c1cccc(-c2noc(C[N@H+](C)Cc3ccccc3)n2)c1 ZINC001325463308 1046517017 /nfs/dbraw/zinc/51/70/17/1046517017.db2.gz GKMGEGVXHBYHNI-UHFFFAOYSA-N 1 2 360.417 2.732 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001285985436 1046979136 /nfs/dbraw/zinc/97/91/36/1046979136.db2.gz BORCTUAIZGZRCY-QXDIGNSFSA-N 1 2 370.497 2.707 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001285985436 1046979146 /nfs/dbraw/zinc/97/91/46/1046979146.db2.gz BORCTUAIZGZRCY-QXDIGNSFSA-N 1 2 370.497 2.707 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CCc2ccc(F)cc2C)CC1 ZINC001286469773 1047119286 /nfs/dbraw/zinc/11/92/86/1047119286.db2.gz KZNLOKJSIBAYMS-UHFFFAOYSA-N 1 2 369.488 2.847 20 30 FFEDLO C=CC1CCN(c2nnc([C@H]3CCOC3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001286663264 1047149688 /nfs/dbraw/zinc/14/96/88/1047149688.db2.gz JSMNXDQNDBANJF-INIZCTEOSA-N 1 2 369.469 2.636 20 30 FFEDLO C=CCCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001290325932 1048017506 /nfs/dbraw/zinc/01/75/06/1048017506.db2.gz GKJBGKHCKOVGAC-CVEARBPZSA-N 1 2 354.454 2.657 20 30 FFEDLO C=C(Cl)C[C@@H]([NH3+])C(=O)N(CCC)Cc1nc(=O)c2sccc2[nH]1 ZINC001331692269 1048064259 /nfs/dbraw/zinc/06/42/59/1048064259.db2.gz LYZCGTYGSBSQAK-SNVBAGLBSA-N 1 2 354.863 2.605 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1CC ZINC001290460074 1048141178 /nfs/dbraw/zinc/14/11/78/1048141178.db2.gz JHVNNYZOOWWEEZ-PKOBYXMFSA-N 1 2 366.465 2.866 20 30 FFEDLO C=C(C)C[C@@H]([NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)C(=O)OCC ZINC001332724527 1048528795 /nfs/dbraw/zinc/52/87/95/1048528795.db2.gz MDGWUDYLSLWODK-OAHLLOKOSA-N 1 2 352.475 2.873 20 30 FFEDLO COCC#CC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC001540840047 1071015897 /nfs/dbraw/zinc/01/58/97/1071015897.db2.gz QFPPQKHWPQQLLX-UHFFFAOYSA-N 1 2 372.465 2.848 20 30 FFEDLO CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCNc1cccc[nH+]1 ZINC001292946189 1049445042 /nfs/dbraw/zinc/44/50/42/1049445042.db2.gz ICFSOPJRALEPMA-INIZCTEOSA-N 1 2 374.485 2.697 20 30 FFEDLO C=CCn1c(N(C)C[C@H](C)c2ccccc2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339853177 1050270562 /nfs/dbraw/zinc/27/05/62/1050270562.db2.gz HKMBNUXWZZIHKJ-YRISNDGFSA-N 1 2 369.513 2.616 20 30 FFEDLO C=CCn1c(N(C)C[C@H](C)c2ccccc2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339853177 1050270567 /nfs/dbraw/zinc/27/05/67/1050270567.db2.gz HKMBNUXWZZIHKJ-YRISNDGFSA-N 1 2 369.513 2.616 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H](OC(C)C)C1 ZINC001341756067 1050373213 /nfs/dbraw/zinc/37/32/13/1050373213.db2.gz NQPSAVPMHJVEMN-MRXNPFEDSA-N 1 2 358.490 2.572 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1cccc(C#N)c1 ZINC001341867801 1050476762 /nfs/dbraw/zinc/47/67/62/1050476762.db2.gz DZFRTTCQAWOISX-UHFFFAOYSA-N 1 2 361.453 2.687 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001340259342 1050665558 /nfs/dbraw/zinc/66/55/58/1050665558.db2.gz VFHTZJSWGQBSLU-OAGGEKHMSA-N 1 2 359.499 2.605 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001340259342 1050665564 /nfs/dbraw/zinc/66/55/64/1050665564.db2.gz VFHTZJSWGQBSLU-OAGGEKHMSA-N 1 2 359.499 2.605 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001340315430 1050713747 /nfs/dbraw/zinc/71/37/47/1050713747.db2.gz CIQQCSADRGZRMS-HCXYKTFWSA-N 1 2 369.513 2.792 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001340315430 1050713756 /nfs/dbraw/zinc/71/37/56/1050713756.db2.gz CIQQCSADRGZRMS-HCXYKTFWSA-N 1 2 369.513 2.792 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@](OC)(C(F)(F)F)C1 ZINC001340421118 1050816433 /nfs/dbraw/zinc/81/64/33/1050816433.db2.gz HCRSOBACRXPWOZ-INIZCTEOSA-N 1 2 373.423 2.608 20 30 FFEDLO C=CCn1c(-c2coc(C)c2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001342245652 1050836191 /nfs/dbraw/zinc/83/61/91/1050836191.db2.gz CNMHZGYMAOPIKT-UHFFFAOYSA-N 1 2 364.453 2.750 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001340490723 1050887195 /nfs/dbraw/zinc/88/71/95/1050887195.db2.gz AADAPPQTFPDNOV-HOTGVXAUSA-N 1 2 374.558 2.887 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@@H](C)CC#N ZINC001342344736 1050939203 /nfs/dbraw/zinc/93/92/03/1050939203.db2.gz PWTDJPXWXWDGDQ-BBWFWOEESA-N 1 2 358.490 2.518 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@@H](C)CC#N ZINC001342344736 1050939205 /nfs/dbraw/zinc/93/92/05/1050939205.db2.gz PWTDJPXWXWDGDQ-BBWFWOEESA-N 1 2 358.490 2.518 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@](C)(C#N)C1 ZINC001342362311 1050956913 /nfs/dbraw/zinc/95/69/13/1050956913.db2.gz LTOAVGPTIHUCNX-FXAWDEMLSA-N 1 2 374.533 2.992 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@](C)(C#N)C1 ZINC001342362311 1050956930 /nfs/dbraw/zinc/95/69/30/1050956930.db2.gz LTOAVGPTIHUCNX-FXAWDEMLSA-N 1 2 374.533 2.992 20 30 FFEDLO C=CCn1c(N2CCC(CC(C)C)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001342384728 1050979221 /nfs/dbraw/zinc/97/92/21/1050979221.db2.gz LXECLQLSZKZNPF-FXAWDEMLSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC(CC(C)C)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001342384728 1050979231 /nfs/dbraw/zinc/97/92/31/1050979231.db2.gz LXECLQLSZKZNPF-FXAWDEMLSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1ccc(OCC)cc1 ZINC001342416124 1051012318 /nfs/dbraw/zinc/01/23/18/1051012318.db2.gz QFAQSGBGSZQYKZ-UHFFFAOYSA-N 1 2 366.469 2.824 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)CCn1cccn1 ZINC001340639975 1051017403 /nfs/dbraw/zinc/01/74/03/1051017403.db2.gz BJEBZCIKPRKLKL-QGZVFWFLSA-N 1 2 368.489 2.629 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(C)(C#N)CC1 ZINC001342460004 1051056969 /nfs/dbraw/zinc/05/69/69/1051056969.db2.gz RDXDRZCUHAXRFN-KRWDZBQOSA-N 1 2 374.533 2.992 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(C)(C#N)CC1 ZINC001342460004 1051056974 /nfs/dbraw/zinc/05/69/74/1051056974.db2.gz RDXDRZCUHAXRFN-KRWDZBQOSA-N 1 2 374.533 2.992 20 30 FFEDLO CCOCCCn1c(C[NH+]2CCCCC2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC001342460708 1051059571 /nfs/dbraw/zinc/05/95/71/1051059571.db2.gz YQAIIUQXSBUOLC-ZWKOTPCHSA-N 1 2 374.533 2.819 20 30 FFEDLO C=CCn1c(N2CCCC[C@@H]2CC2CCC2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340700141 1051065540 /nfs/dbraw/zinc/06/55/40/1051065540.db2.gz BNTVLERIEQOFSJ-OPYAIIAOSA-N 1 2 373.545 2.925 20 30 FFEDLO C=CCn1c(N2CCCC[C@@H]2CC2CCC2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340700141 1051065545 /nfs/dbraw/zinc/06/55/45/1051065545.db2.gz BNTVLERIEQOFSJ-OPYAIIAOSA-N 1 2 373.545 2.925 20 30 FFEDLO CC(C)Cc1nnc(N(C)C[C@H](C)C#N)n1CCCNc1cccc[nH+]1 ZINC001302839227 1051209278 /nfs/dbraw/zinc/20/92/78/1051209278.db2.gz CGAYCNOLUMEUJN-MRXNPFEDSA-N 1 2 355.490 2.970 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC(c2ccon2)CC1 ZINC001342671354 1051281590 /nfs/dbraw/zinc/28/15/90/1051281590.db2.gz BMEVBWFOLPSWJU-QGZVFWFLSA-N 1 2 356.474 2.993 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC(c2ccon2)CC1 ZINC001342671354 1051281599 /nfs/dbraw/zinc/28/15/99/1051281599.db2.gz BMEVBWFOLPSWJU-QGZVFWFLSA-N 1 2 356.474 2.993 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H](C)OC2(CCC2)C1 ZINC001342685875 1051298515 /nfs/dbraw/zinc/29/85/15/1051298515.db2.gz NQTWNQBUVIDVEH-MRXNPFEDSA-N 1 2 372.517 2.539 20 30 FFEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@@H](OC)C1 ZINC001342705910 1051321240 /nfs/dbraw/zinc/32/12/40/1051321240.db2.gz BPSZNGGYFGIAKS-IAGOWNOFSA-N 1 2 358.490 2.911 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)COC(C)(C)C)n2CC(=C)C)CC1 ZINC001343007167 1051623257 /nfs/dbraw/zinc/62/32/57/1051623257.db2.gz JTWWWMBWZQEWKY-UHFFFAOYSA-N 1 2 373.545 2.702 20 30 FFEDLO Cc1cccc(CCCn2c([C@@H]3CCOC3)nnc2N(C)C[C@H](C)C#N)[nH+]1 ZINC001542645667 1071273259 /nfs/dbraw/zinc/27/32/59/1071273259.db2.gz QYFVQDVUVJVFNJ-NVXWUHKLSA-N 1 2 368.485 2.714 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(C#N)CC1 ZINC001343458998 1052245215 /nfs/dbraw/zinc/24/52/15/1052245215.db2.gz HXRXVSIFMVRQLF-UHFFFAOYSA-N 1 2 367.501 2.687 20 30 FFEDLO COC(=O)C1(C2(O)CC[NH+](CC#Cc3ccccc3Cl)CC2)CCC1 ZINC001345109642 1052264617 /nfs/dbraw/zinc/26/46/17/1052264617.db2.gz UXVNYUBBKFBGGA-UHFFFAOYSA-N 1 2 361.869 2.862 20 30 FFEDLO CC(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001345150280 1052292688 /nfs/dbraw/zinc/29/26/88/1052292688.db2.gz MCANHPISDVGXAG-UHFFFAOYSA-N 1 2 363.469 2.766 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@](C)(CC)C1 ZINC001343668356 1052365655 /nfs/dbraw/zinc/36/56/55/1052365655.db2.gz KOAXNKROYHEJRR-FQEVSTJZSA-N 1 2 361.534 2.685 20 30 FFEDLO CC(C)(C)[NH+]1CCN(S(=O)(=O)c2c(C#N)sc3ccccc32)CC1 ZINC001309085250 1052551281 /nfs/dbraw/zinc/55/12/81/1052551281.db2.gz OBEYIQFHOTUGMX-UHFFFAOYSA-N 1 2 363.508 2.878 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1Cc2cc(F)c(F)cc2C1 ZINC001345994186 1052699415 /nfs/dbraw/zinc/69/94/15/1052699415.db2.gz MTWVNXKRIDNYHM-UHFFFAOYSA-N 1 2 370.407 2.977 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCOc2ccc(O)cc2C1 ZINC001346187811 1052781634 /nfs/dbraw/zinc/78/16/34/1052781634.db2.gz IMLZMVBHIHHSNF-QGZVFWFLSA-N 1 2 369.469 2.726 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCOc2ccc(O)cc2C1 ZINC001346187811 1052781638 /nfs/dbraw/zinc/78/16/38/1052781638.db2.gz IMLZMVBHIHHSNF-QGZVFWFLSA-N 1 2 369.469 2.726 20 30 FFEDLO Cc1c(C(=O)[C@H](C#N)c2nc3c(nccc3C)[nH]2)cnn1-c1cc[nH+]cc1 ZINC001344597749 1052853072 /nfs/dbraw/zinc/85/30/72/1052853072.db2.gz XNNZXPHGKWUIEG-AWEZNQCLSA-N 1 2 357.377 2.646 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCC(F)(F)C3)n2CC(C)C)CC1 ZINC001344822404 1052941242 /nfs/dbraw/zinc/94/12/42/1052941242.db2.gz IMOKKTINMYCAMR-HNNXBMFYSA-N 1 2 351.445 2.592 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc(C[NH+]2CCCC2)n1C[C@@H]1CCCO1 ZINC001347779564 1054311485 /nfs/dbraw/zinc/31/14/85/1054311485.db2.gz PMFQEDRBAURAKJ-SFHVURJKSA-N 1 2 374.533 2.819 20 30 FFEDLO N#CC1(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)CCOCC1 ZINC001348022538 1054566856 /nfs/dbraw/zinc/56/68/56/1054566856.db2.gz NGBHGGKUHAJCEQ-SFHVURJKSA-N 1 2 359.445 2.617 20 30 FFEDLO N#CC1(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CCOCC1 ZINC001348022538 1054566873 /nfs/dbraw/zinc/56/68/73/1054566873.db2.gz NGBHGGKUHAJCEQ-SFHVURJKSA-N 1 2 359.445 2.617 20 30 FFEDLO Cn1c[nH+]cc1C1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC001348679356 1054858860 /nfs/dbraw/zinc/85/88/60/1054858860.db2.gz OTXOYBGTUUAMOE-UHFFFAOYSA-N 1 2 352.438 2.855 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(CC(=C)C)Cc1ccccc1 ZINC001351604172 1054916540 /nfs/dbraw/zinc/91/65/40/1054916540.db2.gz LABPOTHEPKZKRQ-OALUTQOASA-N 1 2 367.497 2.784 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(CC(=C)C)Cc1ccccc1 ZINC001351604172 1054916548 /nfs/dbraw/zinc/91/65/48/1054916548.db2.gz LABPOTHEPKZKRQ-OALUTQOASA-N 1 2 367.497 2.784 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CCOC(C)(C)C ZINC001356378583 1055478865 /nfs/dbraw/zinc/47/88/65/1055478865.db2.gz MZHVBWQIVNZVHG-UHFFFAOYSA-N 1 2 362.522 2.642 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@@]1(C)c1ccccc1 ZINC001338777270 1055805415 /nfs/dbraw/zinc/80/54/15/1055805415.db2.gz ZSTQVGWJZKWBRV-LQWHRVPQSA-N 1 2 367.497 2.717 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@@]1(C)c1ccccc1 ZINC001338777270 1055805423 /nfs/dbraw/zinc/80/54/23/1055805423.db2.gz ZSTQVGWJZKWBRV-LQWHRVPQSA-N 1 2 367.497 2.717 20 30 FFEDLO C#C[C@@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC001350543658 1055823885 /nfs/dbraw/zinc/82/38/85/1055823885.db2.gz VIZMQFIJUYDEFN-CRAIPNDOSA-N 1 2 354.429 2.898 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2c2cccs2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001339067815 1056063564 /nfs/dbraw/zinc/06/35/64/1056063564.db2.gz DNVIGBBCSVIPFK-QMTMVMCOSA-N 1 2 373.526 2.779 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2c2cccs2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339067815 1056063577 /nfs/dbraw/zinc/06/35/77/1056063577.db2.gz DNVIGBBCSVIPFK-QMTMVMCOSA-N 1 2 373.526 2.779 20 30 FFEDLO C#CCC1(c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2C)CCCCC1 ZINC001351194818 1056129467 /nfs/dbraw/zinc/12/94/67/1056129467.db2.gz RWZDCIVBYMCVPB-UHFFFAOYSA-N 1 2 364.497 2.762 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC(CC#N)CC1 ZINC001351527117 1056309529 /nfs/dbraw/zinc/30/95/29/1056309529.db2.gz SCHMXVGGAQWEQW-ROUUACIJSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC(CC#N)CC1 ZINC001351527117 1056309538 /nfs/dbraw/zinc/30/95/38/1056309538.db2.gz SCHMXVGGAQWEQW-ROUUACIJSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001339486628 1056502870 /nfs/dbraw/zinc/50/28/70/1056502870.db2.gz WZHTTZOWCFQMSI-FGTMMUONSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001339486628 1056502883 /nfs/dbraw/zinc/50/28/83/1056502883.db2.gz WZHTTZOWCFQMSI-FGTMMUONSA-N 1 2 359.518 2.872 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CCC[C@H]2CCCCO2)CC1 ZINC001359035418 1056668934 /nfs/dbraw/zinc/66/89/34/1056668934.db2.gz SYAZFQLNPTWNSU-LJQANCHMSA-N 1 2 371.529 2.650 20 30 FFEDLO C=C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001359161350 1056751799 /nfs/dbraw/zinc/75/17/99/1056751799.db2.gz ABTRMLDYJKGLOT-MRXNPFEDSA-N 1 2 371.485 2.724 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3cc(C#N)ccc3F)C2)cc1 ZINC001544669789 1071675951 /nfs/dbraw/zinc/67/59/51/1071675951.db2.gz TZDMCDACAKUMFJ-SFHVURJKSA-N 1 2 367.424 2.637 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)c3cc(C#N)ccc3F)C2)cc1 ZINC001544669789 1071675954 /nfs/dbraw/zinc/67/59/54/1071675954.db2.gz TZDMCDACAKUMFJ-SFHVURJKSA-N 1 2 367.424 2.637 20 30 FFEDLO C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[N@@H+](C)C[C@H]3CC)n[nH]2)c1C ZINC001448725894 1058811558 /nfs/dbraw/zinc/81/15/58/1058811558.db2.gz YJMJZURFOQITLN-MRXNPFEDSA-N 1 2 370.501 2.632 20 30 FFEDLO C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[N@H+](C)C[C@H]3CC)n[nH]2)c1C ZINC001448725894 1058811580 /nfs/dbraw/zinc/81/15/80/1058811580.db2.gz YJMJZURFOQITLN-MRXNPFEDSA-N 1 2 370.501 2.632 20 30 FFEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCO1 ZINC001514561578 1058982645 /nfs/dbraw/zinc/98/26/45/1058982645.db2.gz HMTYQQXIMCEBHQ-ROUUACIJSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCO1 ZINC001514561578 1058982662 /nfs/dbraw/zinc/98/26/62/1058982662.db2.gz HMTYQQXIMCEBHQ-ROUUACIJSA-N 1 2 372.517 2.744 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001450836929 1059056588 /nfs/dbraw/zinc/05/65/88/1059056588.db2.gz ZJRMBJFJARWVHB-DLBZAZTESA-N 1 2 365.518 2.742 20 30 FFEDLO COc1cc[nH+]cc1Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@H](C)C#N ZINC001504454462 1059183392 /nfs/dbraw/zinc/18/33/92/1059183392.db2.gz WJUJBKQXTSZAEC-CYBMUJFWSA-N 1 2 366.425 2.894 20 30 FFEDLO C=C(C)Cn1c(N2CCCCCCCC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001515003389 1059211621 /nfs/dbraw/zinc/21/16/21/1059211621.db2.gz MMCGFPBYMGSOBV-PXNSSMCTSA-N 1 2 361.534 2.926 20 30 FFEDLO C=C(C)Cn1c(N2CCCCCCCC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001515003389 1059211641 /nfs/dbraw/zinc/21/16/41/1059211641.db2.gz MMCGFPBYMGSOBV-PXNSSMCTSA-N 1 2 361.534 2.926 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3C)n2CC(=C)Cl)CC1 ZINC001300693488 1059368338 /nfs/dbraw/zinc/36/83/38/1059368338.db2.gz ZLUDYUKLMGHQRN-UHFFFAOYSA-N 1 2 355.873 2.761 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2Cc2cccc(Cl)c2)CC1 ZINC001300701372 1059410409 /nfs/dbraw/zinc/41/04/09/1059410409.db2.gz QICXFLSXQWMXGN-UHFFFAOYSA-N 1 2 371.916 2.934 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001515309279 1059531006 /nfs/dbraw/zinc/53/10/06/1059531006.db2.gz JKWDXULFRIQCPV-SQNIBIBYSA-N 1 2 360.502 2.934 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001507549429 1059634477 /nfs/dbraw/zinc/63/44/77/1059634477.db2.gz ZEJZPILNZORAKJ-GVDBMIGSSA-N 1 2 368.485 2.670 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CCCSC ZINC001520505550 1059743162 /nfs/dbraw/zinc/74/31/62/1059743162.db2.gz WAPHOUWIAWRYTA-UHFFFAOYSA-N 1 2 362.547 2.746 20 30 FFEDLO CCn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1C(C)(C)CC#N ZINC001520931956 1060218653 /nfs/dbraw/zinc/21/86/53/1060218653.db2.gz GLCDMPHQSZESGO-UHFFFAOYSA-N 1 2 353.474 2.965 20 30 FFEDLO C#CCSCC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC001458157847 1060526839 /nfs/dbraw/zinc/52/68/39/1060526839.db2.gz XXVFHVLUSVXVLH-APWZRJJASA-N 1 2 359.539 2.815 20 30 FFEDLO C#CCSCC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC001458157847 1060526860 /nfs/dbraw/zinc/52/68/60/1060526860.db2.gz XXVFHVLUSVXVLH-APWZRJJASA-N 1 2 359.539 2.815 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)Cc1ccc(C(C)C)cc1 ZINC001355920902 1060728678 /nfs/dbraw/zinc/72/86/78/1060728678.db2.gz YFNRSRUIVTWXTM-RBUKOAKNSA-N 1 2 369.513 2.961 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)Cc1ccc(C(C)C)cc1 ZINC001355920902 1060728690 /nfs/dbraw/zinc/72/86/90/1060728690.db2.gz YFNRSRUIVTWXTM-RBUKOAKNSA-N 1 2 369.513 2.961 20 30 FFEDLO C=CCN(CCOC)c1nnc(CC(C)(C)C)n1Cc1c[nH+]ccc1OC ZINC001359281805 1060828370 /nfs/dbraw/zinc/82/83/70/1060828370.db2.gz JTEQQCSEIMRGLM-UHFFFAOYSA-N 1 2 373.501 2.957 20 30 FFEDLO C=C(C)C[C@H]([NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)C(=O)OCC ZINC001462547286 1061665162 /nfs/dbraw/zinc/66/51/62/1061665162.db2.gz FQTVTFKHMWJYKS-DOXZYTNZSA-N 1 2 352.475 2.731 20 30 FFEDLO Cc1ccccc1-n1cc(C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)nn1 ZINC001462597758 1061684046 /nfs/dbraw/zinc/68/40/46/1061684046.db2.gz UNIZUCMSPPXSOZ-SFHVURJKSA-N 1 2 373.464 2.919 20 30 FFEDLO Cc1ccccc1-n1cc(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)nn1 ZINC001462597758 1061684054 /nfs/dbraw/zinc/68/40/54/1061684054.db2.gz UNIZUCMSPPXSOZ-SFHVURJKSA-N 1 2 373.464 2.919 20 30 FFEDLO C[C@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1CCCNc1cccc[nH+]1 ZINC001360475006 1061963999 /nfs/dbraw/zinc/96/39/99/1061963999.db2.gz YGMYFBQVBFMAGY-OAHLLOKOSA-N 1 2 364.457 2.909 20 30 FFEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001528579427 1061964756 /nfs/dbraw/zinc/96/47/56/1061964756.db2.gz XQVFUIOOWDSSIH-UHFFFAOYSA-N 1 2 362.473 2.927 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCc3nccs3)CC2)cc1 ZINC001463586640 1062171462 /nfs/dbraw/zinc/17/14/62/1062171462.db2.gz CXSWLFFPWCBQKM-UHFFFAOYSA-N 1 2 354.479 2.682 20 30 FFEDLO C=C1CCC(CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2Cc2ccccc2)CC1 ZINC001479048766 1062200613 /nfs/dbraw/zinc/20/06/13/1062200613.db2.gz RFHUJZGSKIIUQB-NRFANRHFSA-N 1 2 370.541 2.848 20 30 FFEDLO C=C1CCC(CNC(=O)NC[C@H]2CN(C)CC[N@H+]2Cc2ccccc2)CC1 ZINC001479048766 1062200626 /nfs/dbraw/zinc/20/06/26/1062200626.db2.gz RFHUJZGSKIIUQB-NRFANRHFSA-N 1 2 370.541 2.848 20 30 FFEDLO N#Cc1ccc(Oc2ccc(NC(=O)/C=C/C[NH+]3CCOCC3)cc2)nc1 ZINC001464541829 1062676411 /nfs/dbraw/zinc/67/64/11/1062676411.db2.gz GASPVTPBYXGMMP-OWOJBTEDSA-N 1 2 364.405 2.572 20 30 FFEDLO CC(C)OCCCC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001479730838 1062979255 /nfs/dbraw/zinc/97/92/55/1062979255.db2.gz GOTJMBXKJPGBJH-BEFAXECRSA-N 1 2 361.461 2.982 20 30 FFEDLO CC(C)OCCCC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001479730838 1062979269 /nfs/dbraw/zinc/97/92/69/1062979269.db2.gz GOTJMBXKJPGBJH-BEFAXECRSA-N 1 2 361.461 2.982 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)CC#Cc3ccccc3)C2)cc1 ZINC001532337148 1063037257 /nfs/dbraw/zinc/03/72/57/1063037257.db2.gz DPQGBMRRTCUGMM-JOCHJYFZSA-N 1 2 362.473 2.754 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)CC#Cc3ccccc3)C2)cc1 ZINC001532337148 1063037283 /nfs/dbraw/zinc/03/72/83/1063037283.db2.gz DPQGBMRRTCUGMM-JOCHJYFZSA-N 1 2 362.473 2.754 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)c3ccc(F)c(C#N)c3)C2)cc1 ZINC001532338255 1063040832 /nfs/dbraw/zinc/04/08/32/1063040832.db2.gz WJURUWJXUWMSFT-LJQANCHMSA-N 1 2 367.424 2.637 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)c3ccc(F)c(C#N)c3)C2)cc1 ZINC001532338255 1063040856 /nfs/dbraw/zinc/04/08/56/1063040856.db2.gz WJURUWJXUWMSFT-LJQANCHMSA-N 1 2 367.424 2.637 20 30 FFEDLO C=C1CCC(C(=O)NCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)CC1 ZINC001493109709 1063110199 /nfs/dbraw/zinc/11/01/99/1063110199.db2.gz QBTVGOMICRUPFJ-QZTJIDSGSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CCC(C(=O)NCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)CC1 ZINC001493109709 1063110209 /nfs/dbraw/zinc/11/02/09/1063110209.db2.gz QBTVGOMICRUPFJ-QZTJIDSGSA-N 1 2 370.497 2.757 20 30 FFEDLO Cc1c[nH+]c2cc(C(=O)Nc3c(C)c(C#N)nn3-c3cccnc3)ccn12 ZINC001533948275 1063453897 /nfs/dbraw/zinc/45/38/97/1063453897.db2.gz KXZFZGAMVKCOSG-UHFFFAOYSA-N 1 2 357.377 2.656 20 30 FFEDLO C#C[C@@H](NC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1)C(C)(C)C ZINC001471101396 1064559039 /nfs/dbraw/zinc/55/90/39/1064559039.db2.gz MBIBWIQPLVRWMT-RTBURBONSA-N 1 2 357.498 2.543 20 30 FFEDLO C#C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1)C(C)(C)C ZINC001471101396 1064559048 /nfs/dbraw/zinc/55/90/48/1064559048.db2.gz MBIBWIQPLVRWMT-RTBURBONSA-N 1 2 357.498 2.543 20 30 FFEDLO C=CCSCCn1c(C2CC2)nnc1N1CCC[C@@H]([NH2+]CC(F)F)C1 ZINC001574950631 1078095664 /nfs/dbraw/zinc/09/56/64/1078095664.db2.gz KYXQDCXXLBJZPF-CQSZACIVSA-N 1 2 371.501 2.898 20 30 FFEDLO C=CCC[C@H](C)[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)[C@H](C)SC)CC1 ZINC001575087347 1078104787 /nfs/dbraw/zinc/10/47/87/1078104787.db2.gz DPZZMIJSTXHOCD-GJZGRUSLSA-N 1 2 365.547 2.704 20 30 FFEDLO C=CCCC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001575093304 1078105619 /nfs/dbraw/zinc/10/56/19/1078105619.db2.gz IDSYCGRLCMPVFB-RBUKOAKNSA-N 1 2 357.502 2.610 20 30 FFEDLO C[C@@H](NC(=O)c1ccc(-c2cn[nH]n2)cc1)[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001575695669 1078165007 /nfs/dbraw/zinc/16/50/07/1078165007.db2.gz GKXIKGLRMFGMCX-LSDHHAIUSA-N 1 2 374.448 2.640 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CC12CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001578090981 1078437082 /nfs/dbraw/zinc/43/70/82/1078437082.db2.gz BMPRWVUFOOFMGH-INMHGKMJSA-N 1 2 370.497 2.613 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CC12CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001578090981 1078437084 /nfs/dbraw/zinc/43/70/84/1078437084.db2.gz BMPRWVUFOOFMGH-INMHGKMJSA-N 1 2 370.497 2.613 20 30 FFEDLO N#CC1(c2ccccn2)CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC001556362935 1075732918 /nfs/dbraw/zinc/73/29/18/1075732918.db2.gz ACQKHIFHNGARQH-UHFFFAOYSA-N 1 2 373.416 2.670 20 30 FFEDLO C[C@@H]1C[N@H+](CCNc2cc(Br)c(C#N)cc2F)[C@@H](C)CO1 ZINC001559233488 1076137760 /nfs/dbraw/zinc/13/77/60/1076137760.db2.gz VLLGDYLAXFKXSG-WDEREUQCSA-N 1 2 356.239 2.981 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNc2cc(Br)c(C#N)cc2F)[C@@H](C)CO1 ZINC001559233488 1076137762 /nfs/dbraw/zinc/13/77/62/1076137762.db2.gz VLLGDYLAXFKXSG-WDEREUQCSA-N 1 2 356.239 2.981 20 30 FFEDLO CCOCCOC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC001559484863 1076166391 /nfs/dbraw/zinc/16/63/91/1076166391.db2.gz MARSCHLFMYIHAG-UHFFFAOYSA-N 1 2 365.861 2.668 20 30 FFEDLO COc1ccc([C@H]2COCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001560095817 1076226679 /nfs/dbraw/zinc/22/66/79/1076226679.db2.gz ZRQNZVOQXQVUPX-HXUWFJFHSA-N 1 2 365.433 2.969 20 30 FFEDLO COc1ccc([C@H]2COCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001560095817 1076226682 /nfs/dbraw/zinc/22/66/82/1076226682.db2.gz ZRQNZVOQXQVUPX-HXUWFJFHSA-N 1 2 365.433 2.969 20 30 FFEDLO CCN(C)c1ccc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)cn1 ZINC001560973398 1076315714 /nfs/dbraw/zinc/31/57/14/1076315714.db2.gz SNXJWCRWYJQGBB-UHFFFAOYSA-N 1 2 353.445 2.871 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC001561078354 1076330113 /nfs/dbraw/zinc/33/01/13/1076330113.db2.gz GCGWMLQCQBFTMJ-SFHVURJKSA-N 1 2 362.882 2.903 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)CC(C)(C)C=C)[C@H]2C)c1 ZINC001566090213 1076895514 /nfs/dbraw/zinc/89/55/14/1076895514.db2.gz FBILWUOACOCLEY-APWZRJJASA-N 1 2 367.493 2.788 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)CC(C)(C)C=C)[C@H]2C)c1 ZINC001566090213 1076895517 /nfs/dbraw/zinc/89/55/17/1076895517.db2.gz FBILWUOACOCLEY-APWZRJJASA-N 1 2 367.493 2.788 20 30 FFEDLO CC[C@@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001566814789 1076984135 /nfs/dbraw/zinc/98/41/35/1076984135.db2.gz XXPGFSSWNKAVKT-UXHICEINSA-N 1 2 355.482 2.939 20 30 FFEDLO CC[C@@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001566814789 1076984139 /nfs/dbraw/zinc/98/41/39/1076984139.db2.gz XXPGFSSWNKAVKT-UXHICEINSA-N 1 2 355.482 2.939 20 30 FFEDLO CC#CCCCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001571907600 1077286011 /nfs/dbraw/zinc/28/60/11/1077286011.db2.gz KTHONWYQHJWENU-IAGOWNOFSA-N 1 2 370.497 2.642 20 30 FFEDLO CC#CCCCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001571907600 1077286015 /nfs/dbraw/zinc/28/60/15/1077286015.db2.gz KTHONWYQHJWENU-IAGOWNOFSA-N 1 2 370.497 2.642 20 30 FFEDLO C=C(C)CCC(=O)NCCC1=CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001572700298 1077348598 /nfs/dbraw/zinc/34/85/98/1077348598.db2.gz YAZUTABLHMUUMY-IAGOWNOFSA-N 1 2 356.470 2.535 20 30 FFEDLO C=C(C)CCC(=O)NCCC1=CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001572700298 1077348599 /nfs/dbraw/zinc/34/85/99/1077348599.db2.gz YAZUTABLHMUUMY-IAGOWNOFSA-N 1 2 356.470 2.535 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001573069919 1077508651 /nfs/dbraw/zinc/50/86/51/1077508651.db2.gz WWOVBSWNOVDGCX-IAGOWNOFSA-N 1 2 360.502 2.762 20 30 FFEDLO C=CCCC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C3)CC1 ZINC001574460013 1077994046 /nfs/dbraw/zinc/99/40/46/1077994046.db2.gz JVBDSRQLJCSDJD-TVFCKZIOSA-N 1 2 370.497 2.829 20 30 FFEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H](CC(C)C)C(=O)OCC ZINC001588648899 1080139126 /nfs/dbraw/zinc/13/91/26/1080139126.db2.gz RPPDSVYKUSADLY-QGZVFWFLSA-N 1 2 357.458 2.833 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H](CC(C)C)C(=O)OCC ZINC001588648899 1080139131 /nfs/dbraw/zinc/13/91/31/1080139131.db2.gz RPPDSVYKUSADLY-QGZVFWFLSA-N 1 2 357.458 2.833 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000105813772 206010257 /nfs/dbraw/zinc/01/02/57/206010257.db2.gz ZQBILTCNGVUETJ-UHFFFAOYSA-N 1 2 353.382 2.733 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000030283923 249354403 /nfs/dbraw/zinc/35/44/03/249354403.db2.gz VDXKUUOYBRUTBX-LBPRGKRZSA-N 1 2 374.872 2.529 20 30 FFEDLO CN(C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1nccs1 ZINC000104712445 250184147 /nfs/dbraw/zinc/18/41/47/250184147.db2.gz IYHGQIWZVRCOLJ-UHFFFAOYSA-N 1 2 356.451 2.521 20 30 FFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105301671 250207971 /nfs/dbraw/zinc/20/79/71/250207971.db2.gz QZWLWVVTZYIJIS-IRXDYDNUSA-N 1 2 358.486 2.589 20 30 FFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105298247 250208203 /nfs/dbraw/zinc/20/82/03/250208203.db2.gz KGNDEPXCEZZVIB-SJORKVTESA-N 1 2 358.486 2.587 20 30 FFEDLO N#Cc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)ccc1F ZINC000278720341 256341451 /nfs/dbraw/zinc/34/14/51/256341451.db2.gz UJZYWAWQAPLCIY-LJQANCHMSA-N 1 2 353.397 2.501 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278853063 256354870 /nfs/dbraw/zinc/35/48/70/256354870.db2.gz WYYIGWUMQTZZEP-UHFFFAOYSA-N 1 2 370.478 2.659 20 30 FFEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000287900600 257127964 /nfs/dbraw/zinc/12/79/64/257127964.db2.gz SFHCSJOHXJOIDJ-CQSZACIVSA-N 1 2 370.434 2.663 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)C1=O ZINC000289770113 257298297 /nfs/dbraw/zinc/29/82/97/257298297.db2.gz ZTKPCRRBOBFUNT-HRCADAONSA-N 1 2 357.479 2.759 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)C1=O ZINC000289770113 257298298 /nfs/dbraw/zinc/29/82/98/257298298.db2.gz ZTKPCRRBOBFUNT-HRCADAONSA-N 1 2 357.479 2.759 20 30 FFEDLO CC(C)OCc1nc([C@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)no1 ZINC000290018912 257311718 /nfs/dbraw/zinc/31/17/18/257311718.db2.gz UYLYFYJYKVZAOV-ZDUSSCGKSA-N 1 2 357.414 2.546 20 30 FFEDLO COc1ccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000290390848 257329636 /nfs/dbraw/zinc/32/96/36/257329636.db2.gz SGTORQOXBWIOFE-SFHVURJKSA-N 1 2 371.462 2.573 20 30 FFEDLO COc1ccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000290390848 257329637 /nfs/dbraw/zinc/32/96/37/257329637.db2.gz SGTORQOXBWIOFE-SFHVURJKSA-N 1 2 371.462 2.573 20 30 FFEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000301276605 258038883 /nfs/dbraw/zinc/03/88/83/258038883.db2.gz MCCOWBJBJZPAFZ-AWEZNQCLSA-N 1 2 360.889 2.781 20 30 FFEDLO CC(=O)c1ccc(C#N)c(N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000302115459 258088426 /nfs/dbraw/zinc/08/84/26/258088426.db2.gz RHBXXQCQLNRGTR-MRXNPFEDSA-N 1 2 363.465 2.778 20 30 FFEDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc(Br)cc3C#N)CC2)S1 ZINC000302186105 258094015 /nfs/dbraw/zinc/09/40/15/258094015.db2.gz PJMJXNUFYCWIHX-NSHDSACASA-N 1 2 365.300 2.934 20 30 FFEDLO CCN1CC[NH+]([C@@H](C)CNc2c(C#N)cnc3c(C)cc(F)cc32)CC1 ZINC000301561680 258055920 /nfs/dbraw/zinc/05/59/20/258055920.db2.gz YDEKRAGRGTXILU-HNNXBMFYSA-N 1 2 355.461 2.992 20 30 FFEDLO N#Cc1c(F)cccc1N1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000301824937 258069539 /nfs/dbraw/zinc/06/95/39/258069539.db2.gz LZVRELKJENUNNC-UHFFFAOYSA-N 1 2 352.417 2.636 20 30 FFEDLO N#Cc1c(F)cccc1N1CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000301824937 258069541 /nfs/dbraw/zinc/06/95/41/258069541.db2.gz LZVRELKJENUNNC-UHFFFAOYSA-N 1 2 352.417 2.636 20 30 FFEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000328790782 258120894 /nfs/dbraw/zinc/12/08/94/258120894.db2.gz YYHUINHSUQAMNG-SFHVURJKSA-N 1 2 359.495 2.753 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)CCC2 ZINC000370959619 512154720 /nfs/dbraw/zinc/15/47/20/512154720.db2.gz MHIFNSTTYCDENN-INIZCTEOSA-N 1 2 352.438 2.914 20 30 FFEDLO CCCCN(C)C(=O)C1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000053239828 506339520 /nfs/dbraw/zinc/33/95/20/506339520.db2.gz JTSOVUPUTYEMEZ-UHFFFAOYSA-N 1 2 362.499 2.529 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000373103437 512173459 /nfs/dbraw/zinc/17/34/59/512173459.db2.gz GKIHOHYZYCGDED-INIZCTEOSA-N 1 2 367.453 2.747 20 30 FFEDLO N#C[C@H]1N(C(=O)c2cccc(-n3cc[nH+]c3)c2)CCC[C@@]12CCCCO2 ZINC000377273816 512196428 /nfs/dbraw/zinc/19/64/28/512196428.db2.gz RTZNKGNYGWPUDE-QUCCMNQESA-N 1 2 350.422 2.940 20 30 FFEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000375198443 512207808 /nfs/dbraw/zinc/20/78/08/512207808.db2.gz WQWJIPXPFAWOIR-GFCCVEGCSA-N 1 2 370.356 2.826 20 30 FFEDLO N#Cc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000053984501 506470573 /nfs/dbraw/zinc/47/05/73/506470573.db2.gz CJMKZOTVLBLKAA-UHFFFAOYSA-N 1 2 350.422 2.712 20 30 FFEDLO Cc1ccccc1CN(C)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369208418 512283643 /nfs/dbraw/zinc/28/36/43/512283643.db2.gz XTYMSKIEHCACAJ-UHFFFAOYSA-N 1 2 362.477 2.906 20 30 FFEDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3ccc(Cl)c(C#N)c3)cn2c1 ZINC000055295960 506721542 /nfs/dbraw/zinc/72/15/42/506721542.db2.gz CWEOOQZVBDDUEK-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCCNc1cccc[nH+]1 ZINC000043783757 506779434 /nfs/dbraw/zinc/77/94/34/506779434.db2.gz XHLKQDRNLAKQTG-UHFFFAOYSA-N 1 2 362.355 2.863 20 30 FFEDLO CCCCN(CCCC)C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000044714686 506878713 /nfs/dbraw/zinc/87/87/13/506878713.db2.gz KKJMYHDOOHEEAI-UHFFFAOYSA-N 1 2 357.502 2.504 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc4c(c3)CCC4)CC2)cc1 ZINC000044720621 506879170 /nfs/dbraw/zinc/87/91/70/506879170.db2.gz FSWNKCADNDQIFW-UHFFFAOYSA-N 1 2 359.473 2.934 20 30 FFEDLO Cc1ccc(C(=O)N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)s1 ZINC000055930808 506890322 /nfs/dbraw/zinc/89/03/22/506890322.db2.gz UAJCNQWXTRCQAF-UHFFFAOYSA-N 1 2 355.463 2.765 20 30 FFEDLO N#Cc1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000045030267 506908246 /nfs/dbraw/zinc/90/82/46/506908246.db2.gz MREAZALIFOACJI-IBGZPJMESA-N 1 2 350.422 2.753 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000067614534 506952142 /nfs/dbraw/zinc/95/21/42/506952142.db2.gz PZTYOQCJHIKPLG-RTWAWAEBSA-N 1 2 360.461 2.942 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)COCc3ccccc3)CCO2)c1 ZINC000371290865 512309865 /nfs/dbraw/zinc/30/98/65/512309865.db2.gz FUMYLCSFLGIPNQ-SFTDATJTSA-N 1 2 352.434 2.509 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)COCc3ccccc3)CCO2)c1 ZINC000371290865 512309870 /nfs/dbraw/zinc/30/98/70/512309870.db2.gz FUMYLCSFLGIPNQ-SFTDATJTSA-N 1 2 352.434 2.509 20 30 FFEDLO Cc1ccc(C)c(C[NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000015545549 507046303 /nfs/dbraw/zinc/04/63/03/507046303.db2.gz ASHXKUHHOYDCAP-UHFFFAOYSA-N 1 2 369.490 2.682 20 30 FFEDLO COc1ccc(NC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000367056608 512317349 /nfs/dbraw/zinc/31/73/49/512317349.db2.gz ADCDKRZFKLNMBD-UHFFFAOYSA-N 1 2 350.422 2.586 20 30 FFEDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000016624654 507098656 /nfs/dbraw/zinc/09/86/56/507098656.db2.gz VOBRTIRACDSHGK-KRWDZBQOSA-N 1 2 370.497 2.905 20 30 FFEDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000016624654 507098666 /nfs/dbraw/zinc/09/86/66/507098666.db2.gz VOBRTIRACDSHGK-KRWDZBQOSA-N 1 2 370.497 2.905 20 30 FFEDLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000017843316 507130671 /nfs/dbraw/zinc/13/06/71/507130671.db2.gz RZOVYUAWIONGEG-UHFFFAOYSA-N 1 2 365.433 2.533 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)COc1ccccc1C#N)c1ccccc1F ZINC000018236850 507147217 /nfs/dbraw/zinc/14/72/17/507147217.db2.gz OQLIOUQVBLHPQC-IBGZPJMESA-N 1 2 364.380 2.715 20 30 FFEDLO N#Cc1ccccc1CSCCNC(=O)NCCCCn1cc[nH+]c1 ZINC000057378183 507250261 /nfs/dbraw/zinc/25/02/61/507250261.db2.gz DIANCEBFFXAATF-UHFFFAOYSA-N 1 2 357.483 2.768 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3ccc(F)cc3)CC2)cc1 ZINC000057708551 507312448 /nfs/dbraw/zinc/31/24/48/507312448.db2.gz AJBJHOLWKXVLTQ-UHFFFAOYSA-N 1 2 351.425 2.974 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000022820307 507313619 /nfs/dbraw/zinc/31/36/19/507313619.db2.gz KKRRCBZXAIWRIY-LJQANCHMSA-N 1 2 362.905 2.512 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCN(CC(F)F)CC1 ZINC000057912232 507351913 /nfs/dbraw/zinc/35/19/13/507351913.db2.gz WOJYIEUKWKQJKA-AWEZNQCLSA-N 1 2 357.470 2.534 20 30 FFEDLO C=C(C)CN(CC)C(=O)CNc1ccc([NH+]2CCCCC2)cc1C(N)=O ZINC000025617402 507515495 /nfs/dbraw/zinc/51/54/95/507515495.db2.gz DNRLJWCUNSSIOV-UHFFFAOYSA-N 1 2 358.486 2.612 20 30 FFEDLO CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060480883 507550512 /nfs/dbraw/zinc/55/05/12/507550512.db2.gz DONSTBFGFWFPED-INIZCTEOSA-N 1 2 363.465 2.665 20 30 FFEDLO C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481514 507551181 /nfs/dbraw/zinc/55/11/81/507551181.db2.gz RWKLKKVJAZKSPS-CYBMUJFWSA-N 1 2 366.450 2.948 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000060634260 507571173 /nfs/dbraw/zinc/57/11/73/507571173.db2.gz JOKSEKKEFJQYOZ-UHFFFAOYSA-N 1 2 356.253 2.681 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccccc1N1CCCC1=O)Cc1cccc(C#N)c1 ZINC000026328698 507578967 /nfs/dbraw/zinc/57/89/67/507578967.db2.gz UCLIGDFCJVAXAW-UHFFFAOYSA-N 1 2 362.433 2.756 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccccc1N1CCCC1=O)Cc1cccc(C#N)c1 ZINC000026328698 507578972 /nfs/dbraw/zinc/57/89/72/507578972.db2.gz UCLIGDFCJVAXAW-UHFFFAOYSA-N 1 2 362.433 2.756 20 30 FFEDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000051052630 507727370 /nfs/dbraw/zinc/72/73/70/507727370.db2.gz LIZPJWFWJVWOBC-CJNGLKHVSA-N 1 2 374.485 2.723 20 30 FFEDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000051052630 507727379 /nfs/dbraw/zinc/72/73/79/507727379.db2.gz LIZPJWFWJVWOBC-CJNGLKHVSA-N 1 2 374.485 2.723 20 30 FFEDLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000051053062 507730525 /nfs/dbraw/zinc/73/05/25/507730525.db2.gz MYMJYISMAXTYAP-UKRRQHHQSA-N 1 2 362.499 2.575 20 30 FFEDLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000051053062 507730531 /nfs/dbraw/zinc/73/05/31/507730531.db2.gz MYMJYISMAXTYAP-UKRRQHHQSA-N 1 2 362.499 2.575 20 30 FFEDLO COCC[N@H+](CC(=O)N1CCc2sccc2C1)Cc1ccc(C#N)cc1 ZINC000063753924 507767537 /nfs/dbraw/zinc/76/75/37/507767537.db2.gz AVPRIHHGCCKJHP-UHFFFAOYSA-N 1 2 369.490 2.653 20 30 FFEDLO COCC[N@@H+](CC(=O)N1CCc2sccc2C1)Cc1ccc(C#N)cc1 ZINC000063753924 507767544 /nfs/dbraw/zinc/76/75/44/507767544.db2.gz AVPRIHHGCCKJHP-UHFFFAOYSA-N 1 2 369.490 2.653 20 30 FFEDLO COc1ccc(OCC[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000029225387 507769447 /nfs/dbraw/zinc/76/94/47/507769447.db2.gz IKZCWEAFPFGENF-UHFFFAOYSA-N 1 2 368.437 2.633 20 30 FFEDLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1C ZINC000029448929 507778303 /nfs/dbraw/zinc/77/83/03/507778303.db2.gz RHRRMANFJNTEKY-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO CC1CCN(c2ccc(CNC(=O)CNc3ccc(C#N)cc3)c[nH+]2)CC1 ZINC000064725153 507807834 /nfs/dbraw/zinc/80/78/34/507807834.db2.gz WTUBYBCZUVDGNJ-UHFFFAOYSA-N 1 2 363.465 2.918 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638737 507816550 /nfs/dbraw/zinc/81/65/50/507816550.db2.gz IPWRXSGVCVMLQW-RDJZCZTQSA-N 1 2 370.280 2.645 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638737 507816551 /nfs/dbraw/zinc/81/65/51/507816551.db2.gz IPWRXSGVCVMLQW-RDJZCZTQSA-N 1 2 370.280 2.645 20 30 FFEDLO CCn1nc(C(C)C)cc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000078425462 507870189 /nfs/dbraw/zinc/87/01/89/507870189.db2.gz FMIFXCFDKAVRTC-UHFFFAOYSA-N 1 2 365.481 2.856 20 30 FFEDLO N#Cc1cccc(COc2cccc(C[NH2+]Cc3nnc4n3CCC4)c2)c1 ZINC000078447971 507871553 /nfs/dbraw/zinc/87/15/53/507871553.db2.gz PGHXQSNFYAWZSW-UHFFFAOYSA-N 1 2 359.433 2.965 20 30 FFEDLO N#Cc1ccc(CSc2nnc(NC(=O)Cn3cc[nH+]c3)s2)cc1 ZINC000073019446 507885069 /nfs/dbraw/zinc/88/50/69/507885069.db2.gz WHLKXYCVWWSACX-UHFFFAOYSA-N 1 2 356.436 2.537 20 30 FFEDLO C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108517 507894995 /nfs/dbraw/zinc/89/49/95/507894995.db2.gz GTZDWHFHIQSPAF-HNNXBMFYSA-N 1 2 360.421 2.886 20 30 FFEDLO COc1c(C)c[nH+]c(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)c1C ZINC000078817895 507910577 /nfs/dbraw/zinc/91/05/77/507910577.db2.gz VJEKKEFCMJSUMG-FQEVSTJZSA-N 1 2 364.405 2.546 20 30 FFEDLO N#C[C@@H]1COCCN1C(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000090617967 507930814 /nfs/dbraw/zinc/93/08/14/507930814.db2.gz UDMZTVYMNATNSG-MRXNPFEDSA-N 1 2 352.438 2.835 20 30 FFEDLO Cc1cc(N)nc(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)[nH+]1 ZINC000074341011 508013731 /nfs/dbraw/zinc/01/37/31/508013731.db2.gz AHNSZJAIEQJTCA-LBPRGKRZSA-N 1 2 359.430 2.934 20 30 FFEDLO N#CCOc1ccc(CC(=O)Nc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000110235004 508015050 /nfs/dbraw/zinc/01/50/50/508015050.db2.gz VTJGINBPMZQFRW-UHFFFAOYSA-N 1 2 365.433 2.602 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(OC)c(OC)c2OC)c1 ZINC000092143180 508046326 /nfs/dbraw/zinc/04/63/26/508046326.db2.gz PBDTVBGOPOLTFT-UHFFFAOYSA-N 1 2 368.433 2.764 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(OC)c(OC)c2OC)c1 ZINC000092143180 508046328 /nfs/dbraw/zinc/04/63/28/508046328.db2.gz PBDTVBGOPOLTFT-UHFFFAOYSA-N 1 2 368.433 2.764 20 30 FFEDLO COc1cc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)ccc1O ZINC000080847540 508107842 /nfs/dbraw/zinc/10/78/42/508107842.db2.gz DPKMJRZISSQWGV-UHFFFAOYSA-N 1 2 359.813 2.996 20 30 FFEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)ccc1O ZINC000080847540 508107844 /nfs/dbraw/zinc/10/78/44/508107844.db2.gz DPKMJRZISSQWGV-UHFFFAOYSA-N 1 2 359.813 2.996 20 30 FFEDLO CCOc1cc(C[NH+]2CCN(CC#N)CC2)ccc1OCC(F)(F)F ZINC000092936350 508108927 /nfs/dbraw/zinc/10/89/27/508108927.db2.gz NBHRUAOHFAIXMT-UHFFFAOYSA-N 1 2 357.376 2.668 20 30 FFEDLO CC(C)(C)OC(=O)N1CCc2cccc(C[NH+]3CCN(CC#N)CC3)c21 ZINC000092936295 508109020 /nfs/dbraw/zinc/10/90/20/508109020.db2.gz WLBAJVKJFNRETD-UHFFFAOYSA-N 1 2 356.470 2.625 20 30 FFEDLO CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000080908476 508110703 /nfs/dbraw/zinc/11/07/03/508110703.db2.gz KPYHSXGPHUDSBD-UYAOXDASSA-N 1 2 356.514 2.762 20 30 FFEDLO N#Cc1cccc(Cl)c1NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000080971256 508120493 /nfs/dbraw/zinc/12/04/93/508120493.db2.gz CEAODWWLJZQZPW-UHFFFAOYSA-N 1 2 369.856 2.757 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000076188895 508167999 /nfs/dbraw/zinc/16/79/99/508167999.db2.gz UFIJFYGRBJMQAZ-SFHVURJKSA-N 1 2 363.461 2.929 20 30 FFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000076202092 508169282 /nfs/dbraw/zinc/16/92/82/508169282.db2.gz JKHKZZQMVJKULY-AWEZNQCLSA-N 1 2 350.378 2.745 20 30 FFEDLO COc1ccc2c(c1)CCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C2 ZINC000081513178 508183773 /nfs/dbraw/zinc/18/37/73/508183773.db2.gz DPVIYBSODQHAMO-UHFFFAOYSA-N 1 2 370.474 2.789 20 30 FFEDLO COc1ccc2c(c1)CCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C2 ZINC000081513178 508183776 /nfs/dbraw/zinc/18/37/76/508183776.db2.gz DPVIYBSODQHAMO-UHFFFAOYSA-N 1 2 370.474 2.789 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000083170504 508239053 /nfs/dbraw/zinc/23/90/53/508239053.db2.gz SJOUBTYSMFHCFF-OAHLLOKOSA-N 1 2 366.343 2.663 20 30 FFEDLO C[N@H+](C[C@@H]1OCCc2ccccc21)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083170147 508239073 /nfs/dbraw/zinc/23/90/73/508239073.db2.gz UVNCXSFXOHRCDL-MSOLQXFVSA-N 1 2 367.474 2.971 20 30 FFEDLO C[N@@H+](C[C@@H]1OCCc2ccccc21)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083170147 508239075 /nfs/dbraw/zinc/23/90/75/508239075.db2.gz UVNCXSFXOHRCDL-MSOLQXFVSA-N 1 2 367.474 2.971 20 30 FFEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554802 508245529 /nfs/dbraw/zinc/24/55/29/508245529.db2.gz BGWYUXGYKSMEBA-SFHVURJKSA-N 1 2 362.477 2.900 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000077373440 508306817 /nfs/dbraw/zinc/30/68/17/508306817.db2.gz VZGYUHGNMVHYRM-GOSISDBHSA-N 1 2 355.463 2.544 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000077373440 508306819 /nfs/dbraw/zinc/30/68/19/508306819.db2.gz VZGYUHGNMVHYRM-GOSISDBHSA-N 1 2 355.463 2.544 20 30 FFEDLO CC(C)c1[nH+]c2c(n1C)CCN([C@@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000106370303 508399855 /nfs/dbraw/zinc/39/98/55/508399855.db2.gz ZWJIHXKCILFNCM-HNNXBMFYSA-N 1 2 357.502 2.633 20 30 FFEDLO CCCC(=O)Nc1cccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115597194 508416475 /nfs/dbraw/zinc/41/64/75/508416475.db2.gz UUOKDCCPJBHILA-IBGZPJMESA-N 1 2 350.422 2.613 20 30 FFEDLO COc1cc(F)c([C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115600362 508417301 /nfs/dbraw/zinc/41/73/01/508417301.db2.gz LJZALUNUWNMFPS-ZMZPIMSZSA-N 1 2 357.385 2.592 20 30 FFEDLO N#Cc1cccc(OCCCCC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000152498031 508458773 /nfs/dbraw/zinc/45/87/73/508458773.db2.gz VMXOVOZITLUODK-SFHVURJKSA-N 1 2 364.449 2.897 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+](Cc2cccc(O)c2)CC2CC2)c1 ZINC000156749046 508471876 /nfs/dbraw/zinc/47/18/76/508471876.db2.gz RLZULZXSVYMZAQ-UHFFFAOYSA-N 1 2 370.474 2.950 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+](Cc2cccc(O)c2)CC2CC2)c1 ZINC000156749046 508471880 /nfs/dbraw/zinc/47/18/80/508471880.db2.gz RLZULZXSVYMZAQ-UHFFFAOYSA-N 1 2 370.474 2.950 20 30 FFEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCOC[C@H]2CC(=O)c2ccccc2)cc1 ZINC000134067481 508489069 /nfs/dbraw/zinc/48/90/69/508489069.db2.gz OFNYXSSXHSMHGL-CTNGQTDRSA-N 1 2 350.418 2.565 20 30 FFEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCOC[C@H]2CC(=O)c2ccccc2)cc1 ZINC000134067481 508489072 /nfs/dbraw/zinc/48/90/72/508489072.db2.gz OFNYXSSXHSMHGL-CTNGQTDRSA-N 1 2 350.418 2.565 20 30 FFEDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)c2ccccc2C1 ZINC000157218404 508538737 /nfs/dbraw/zinc/53/87/37/508538737.db2.gz KIKPZNIIBYUPAN-UHFFFAOYSA-N 1 2 361.854 2.852 20 30 FFEDLO C[N@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)c2ccccc2C1 ZINC000157218404 508538741 /nfs/dbraw/zinc/53/87/41/508538741.db2.gz KIKPZNIIBYUPAN-UHFFFAOYSA-N 1 2 361.854 2.852 20 30 FFEDLO Cc1cc([C@@H]2C[N@H+](C[C@H](O)COc3ccc(C#N)cc3)CCO2)ccc1F ZINC000128614811 508618160 /nfs/dbraw/zinc/61/81/60/508618160.db2.gz LQDONUSWSMKLSQ-RXVVDRJESA-N 1 2 370.424 2.819 20 30 FFEDLO Cc1cc([C@@H]2C[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)CCO2)ccc1F ZINC000128614811 508618166 /nfs/dbraw/zinc/61/81/66/508618166.db2.gz LQDONUSWSMKLSQ-RXVVDRJESA-N 1 2 370.424 2.819 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158147024 508663186 /nfs/dbraw/zinc/66/31/86/508663186.db2.gz BMKUAYHJIMUILB-CYBMUJFWSA-N 1 2 372.296 2.796 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158147024 508663187 /nfs/dbraw/zinc/66/31/87/508663187.db2.gz BMKUAYHJIMUILB-CYBMUJFWSA-N 1 2 372.296 2.796 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367258023 512411030 /nfs/dbraw/zinc/41/10/30/512411030.db2.gz AKHRCECXGXCRBH-KSZLIROESA-N 1 2 354.498 2.832 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000158685772 508739864 /nfs/dbraw/zinc/73/98/64/508739864.db2.gz NVQZQOLPMDRJBN-WMZOPIPTSA-N 1 2 358.463 2.627 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000158685772 508739866 /nfs/dbraw/zinc/73/98/66/508739866.db2.gz NVQZQOLPMDRJBN-WMZOPIPTSA-N 1 2 358.463 2.627 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@](C)(O)C2)c1C#N ZINC000124281979 508809831 /nfs/dbraw/zinc/80/98/31/508809831.db2.gz PTXOODDMAAFNNG-FQEVSTJZSA-N 1 2 358.486 2.877 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@](C)(O)C2)c1C#N ZINC000124281979 508809838 /nfs/dbraw/zinc/80/98/38/508809838.db2.gz PTXOODDMAAFNNG-FQEVSTJZSA-N 1 2 358.486 2.877 20 30 FFEDLO CC(C)[N@@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000371500230 512435746 /nfs/dbraw/zinc/43/57/46/512435746.db2.gz MFNSFHXTKOIAEQ-SJORKVTESA-N 1 2 371.453 2.712 20 30 FFEDLO CC(C)[N@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000371500230 512435750 /nfs/dbraw/zinc/43/57/50/512435750.db2.gz MFNSFHXTKOIAEQ-SJORKVTESA-N 1 2 371.453 2.712 20 30 FFEDLO COc1ccc(C[N@H+](CCO)Cc2ccc(C#N)cc2OC)c(OC)c1 ZINC000120940326 509093464 /nfs/dbraw/zinc/09/34/64/509093464.db2.gz FAQBFBYWXDJNIP-UHFFFAOYSA-N 1 2 356.422 2.579 20 30 FFEDLO COc1ccc(C[N@@H+](CCO)Cc2ccc(C#N)cc2OC)c(OC)c1 ZINC000120940326 509093471 /nfs/dbraw/zinc/09/34/71/509093471.db2.gz FAQBFBYWXDJNIP-UHFFFAOYSA-N 1 2 356.422 2.579 20 30 FFEDLO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(C)[nH+]1 ZINC000156052630 509117735 /nfs/dbraw/zinc/11/77/35/509117735.db2.gz GHSCMYQBVVCLPA-HKUYNNGSSA-N 1 2 362.433 2.935 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161662740 509141723 /nfs/dbraw/zinc/14/17/23/509141723.db2.gz GXNBOKINGNLKJW-IAQYHMDHSA-N 1 2 355.360 2.520 20 30 FFEDLO C=CC[N@@H+](CCc1cccc(OC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000121182812 509146459 /nfs/dbraw/zinc/14/64/59/509146459.db2.gz FDJPOHIPRJSNID-CQSZACIVSA-N 1 2 363.401 2.803 20 30 FFEDLO C=CC[N@H+](CCc1cccc(OC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000121182812 509146461 /nfs/dbraw/zinc/14/64/61/509146461.db2.gz FDJPOHIPRJSNID-CQSZACIVSA-N 1 2 363.401 2.803 20 30 FFEDLO C=CCCOCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000133466900 509163120 /nfs/dbraw/zinc/16/31/20/509163120.db2.gz VJKSHZAPFXLHQE-SJORKVTESA-N 1 2 353.413 2.602 20 30 FFEDLO C=CCCOCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000133466900 509163124 /nfs/dbraw/zinc/16/31/24/509163124.db2.gz VJKSHZAPFXLHQE-SJORKVTESA-N 1 2 353.413 2.602 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c(Br)c1 ZINC000121461182 509174915 /nfs/dbraw/zinc/17/49/15/509174915.db2.gz WWDVSDWOUCASML-UHFFFAOYSA-N 1 2 362.271 2.765 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3CC3)CC2)c(Br)c1 ZINC000121461182 509174916 /nfs/dbraw/zinc/17/49/16/509174916.db2.gz WWDVSDWOUCASML-UHFFFAOYSA-N 1 2 362.271 2.765 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1Cl ZINC000172848261 509271377 /nfs/dbraw/zinc/27/13/77/509271377.db2.gz UFMAJIVGOMQIBI-OALUTQOASA-N 1 2 369.852 2.922 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1Cl ZINC000172848261 509271384 /nfs/dbraw/zinc/27/13/84/509271384.db2.gz UFMAJIVGOMQIBI-OALUTQOASA-N 1 2 369.852 2.922 20 30 FFEDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185667906 509295645 /nfs/dbraw/zinc/29/56/45/509295645.db2.gz RMTJDCOAKWSONB-UHFFFAOYSA-N 1 2 352.847 2.543 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)Nc1cccc(C#N)c1C ZINC000192129590 509361320 /nfs/dbraw/zinc/36/13/20/509361320.db2.gz DTWIOVZFTIBVQI-UHFFFAOYSA-N 1 2 367.453 2.503 20 30 FFEDLO C=CCSCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000179324420 509377385 /nfs/dbraw/zinc/37/73/85/509377385.db2.gz SMSOIHVTVHSDPV-HOTGVXAUSA-N 1 2 355.454 2.928 20 30 FFEDLO C=CCSCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000179324420 509377391 /nfs/dbraw/zinc/37/73/91/509377391.db2.gz SMSOIHVTVHSDPV-HOTGVXAUSA-N 1 2 355.454 2.928 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000248599022 509383492 /nfs/dbraw/zinc/38/34/92/509383492.db2.gz BMCZMSQGXQOKEW-ICBMNTSNSA-N 1 2 367.540 2.576 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000248599022 509383497 /nfs/dbraw/zinc/38/34/97/509383497.db2.gz BMCZMSQGXQOKEW-ICBMNTSNSA-N 1 2 367.540 2.576 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000189154622 509439661 /nfs/dbraw/zinc/43/96/61/509439661.db2.gz DAHGIFFRMIOKFN-AWEZNQCLSA-N 1 2 352.394 2.821 20 30 FFEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cc1 ZINC000192480006 509536482 /nfs/dbraw/zinc/53/64/82/509536482.db2.gz ADXUFVRVRJPMBE-SFHVURJKSA-N 1 2 372.469 2.576 20 30 FFEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cc1 ZINC000192480006 509536484 /nfs/dbraw/zinc/53/64/84/509536484.db2.gz ADXUFVRVRJPMBE-SFHVURJKSA-N 1 2 372.469 2.576 20 30 FFEDLO N#CCCn1ccc(NC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000173366287 509555350 /nfs/dbraw/zinc/55/53/50/509555350.db2.gz WJPHCSFTSMDBOS-UHFFFAOYSA-N 1 2 372.860 2.800 20 30 FFEDLO COc1cccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3C)CC2)c1 ZINC000186178450 509562296 /nfs/dbraw/zinc/56/22/96/509562296.db2.gz CCCNBKLQVIKAMF-UHFFFAOYSA-N 1 2 363.461 2.762 20 30 FFEDLO COC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@H](C)O1 ZINC000189448036 509580199 /nfs/dbraw/zinc/58/01/99/509580199.db2.gz UAYSCCWAQHZLRM-BJLQDIEVSA-N 1 2 373.497 2.674 20 30 FFEDLO COC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@H](C)O1 ZINC000189448036 509580204 /nfs/dbraw/zinc/58/02/04/509580204.db2.gz UAYSCCWAQHZLRM-BJLQDIEVSA-N 1 2 373.497 2.674 20 30 FFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000267769871 509605871 /nfs/dbraw/zinc/60/58/71/509605871.db2.gz ZVJGJBAHNRQTHX-CYBMUJFWSA-N 1 2 350.344 2.641 20 30 FFEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCCO[C@H]3CCCCO3)c2)n1 ZINC000192838336 509665589 /nfs/dbraw/zinc/66/55/89/509665589.db2.gz SNUXVCMPMZZRSB-IBGZPJMESA-N 1 2 372.469 2.728 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc2ccccc2c1 ZINC000176769292 509680926 /nfs/dbraw/zinc/68/09/26/509680926.db2.gz NIMVZFXINIJENZ-UHFFFAOYSA-N 1 2 352.438 2.920 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(C(=O)OC(C)(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000179967173 509693064 /nfs/dbraw/zinc/69/30/64/509693064.db2.gz GECYJLQOXNRGCN-KRWDZBQOSA-N 1 2 365.495 2.817 20 30 FFEDLO C=CC[N@H+](Cc1cccc(C(=O)OC(C)(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000179967173 509693068 /nfs/dbraw/zinc/69/30/68/509693068.db2.gz GECYJLQOXNRGCN-KRWDZBQOSA-N 1 2 365.495 2.817 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1 ZINC000183362620 509740591 /nfs/dbraw/zinc/74/05/91/509740591.db2.gz QWHCEMGSBGIZEJ-GOSISDBHSA-N 1 2 374.437 2.624 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1 ZINC000183362620 509740600 /nfs/dbraw/zinc/74/06/00/509740600.db2.gz QWHCEMGSBGIZEJ-GOSISDBHSA-N 1 2 374.437 2.624 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3c(F)c(F)nc(F)c3F)CC2)cc1 ZINC000268118439 509766467 /nfs/dbraw/zinc/76/64/67/509766467.db2.gz QJRFNAOVHBXDJK-UHFFFAOYSA-N 1 2 350.319 2.832 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000268161785 509789989 /nfs/dbraw/zinc/78/99/89/509789989.db2.gz PRAYCUFEMRGIOS-UHFFFAOYSA-N 1 2 368.368 2.564 20 30 FFEDLO COc1ncccc1C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000193323625 509867233 /nfs/dbraw/zinc/86/72/33/509867233.db2.gz UKPOYUGULRXEPM-UHFFFAOYSA-N 1 2 359.433 2.832 20 30 FFEDLO C[C@@H](C#N)CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000177353095 510008500 /nfs/dbraw/zinc/00/85/00/510008500.db2.gz QYFLSFSTICOLMQ-SWLSCSKDSA-N 1 2 350.260 2.862 20 30 FFEDLO C=C(C)CN(C)C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000180670297 510046537 /nfs/dbraw/zinc/04/65/37/510046537.db2.gz YAUKIEICALMCIZ-UHFFFAOYSA-N 1 2 352.438 2.859 20 30 FFEDLO Cc1nc(C[C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)no1 ZINC000171404929 510137166 /nfs/dbraw/zinc/13/71/66/510137166.db2.gz QWGIRWIXGRXHRT-IUODEOHRSA-N 1 2 371.441 2.741 20 30 FFEDLO Cc1nc(C[C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)no1 ZINC000171404929 510137172 /nfs/dbraw/zinc/13/71/72/510137172.db2.gz QWGIRWIXGRXHRT-IUODEOHRSA-N 1 2 371.441 2.741 20 30 FFEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000245798516 510149165 /nfs/dbraw/zinc/14/91/65/510149165.db2.gz PAJVPKTZWSIPHT-GQYGNMKRSA-N 1 2 360.502 2.651 20 30 FFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000245798516 510149172 /nfs/dbraw/zinc/14/91/72/510149172.db2.gz PAJVPKTZWSIPHT-GQYGNMKRSA-N 1 2 360.502 2.651 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1C ZINC000177603380 510157116 /nfs/dbraw/zinc/15/71/16/510157116.db2.gz PRORPPSDUOYDJN-IBGZPJMESA-N 1 2 359.514 2.660 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCC[C@H]2CN2CCOCC2)c1C ZINC000177603380 510157124 /nfs/dbraw/zinc/15/71/24/510157124.db2.gz PRORPPSDUOYDJN-IBGZPJMESA-N 1 2 359.514 2.660 20 30 FFEDLO C=CCn1c(C)cc(C(=O)CN2CCCC[C@H]2C[NH+]2CCOCC2)c1C ZINC000177603380 510157129 /nfs/dbraw/zinc/15/71/29/510157129.db2.gz PRORPPSDUOYDJN-IBGZPJMESA-N 1 2 359.514 2.660 20 30 FFEDLO N#Cc1ccc(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)c(F)c1 ZINC000171483053 510188144 /nfs/dbraw/zinc/18/81/44/510188144.db2.gz QDOPSJCXFBMROH-UHFFFAOYSA-N 1 2 353.401 2.692 20 30 FFEDLO CCc1nnc(C2CC[NH+](CC(=O)Nc3cc(Cl)ccc3C#N)CC2)[nH]1 ZINC000190677036 510280360 /nfs/dbraw/zinc/28/03/60/510280360.db2.gz LUDTYNGGTRKIEC-UHFFFAOYSA-N 1 2 372.860 2.710 20 30 FFEDLO CCc1n[nH]c(C2CC[NH+](CC(=O)Nc3cc(Cl)ccc3C#N)CC2)n1 ZINC000190677036 510280370 /nfs/dbraw/zinc/28/03/70/510280370.db2.gz LUDTYNGGTRKIEC-UHFFFAOYSA-N 1 2 372.860 2.710 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+](C)C[C@H]2COc3ccccc3O2)c(C#N)c1C ZINC000177846431 510286410 /nfs/dbraw/zinc/28/64/10/510286410.db2.gz RJQLBONCYQUIJX-AWEZNQCLSA-N 1 2 371.462 2.947 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+](C)C[C@H]2COc3ccccc3O2)c(C#N)c1C ZINC000177846431 510286417 /nfs/dbraw/zinc/28/64/17/510286417.db2.gz RJQLBONCYQUIJX-AWEZNQCLSA-N 1 2 371.462 2.947 20 30 FFEDLO CCn1cnnc1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000246149101 510320829 /nfs/dbraw/zinc/32/08/29/510320829.db2.gz PGFHFDOLRBIOII-HIFRSBDPSA-N 1 2 370.457 2.586 20 30 FFEDLO CCn1cnnc1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000246149101 510320833 /nfs/dbraw/zinc/32/08/33/510320833.db2.gz PGFHFDOLRBIOII-HIFRSBDPSA-N 1 2 370.457 2.586 20 30 FFEDLO CC(C)(C#N)CCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000174808046 510323416 /nfs/dbraw/zinc/32/34/16/510323416.db2.gz SJRBAYLCEJPRBU-UHFFFAOYSA-N 1 2 369.918 2.976 20 30 FFEDLO N#Cc1ccc(F)c(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000174862361 510350901 /nfs/dbraw/zinc/35/09/01/510350901.db2.gz ZSCSWQZYLAIADJ-UHFFFAOYSA-N 1 2 353.401 2.692 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1Oc1ccccc1C#N ZINC000181367617 510376444 /nfs/dbraw/zinc/37/64/44/510376444.db2.gz GGEBPXGYFLJEMG-MRXNPFEDSA-N 1 2 365.433 2.801 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)ccc1C#N ZINC000171871093 510421181 /nfs/dbraw/zinc/42/11/81/510421181.db2.gz JLSUKBFMLRJLDT-OAHLLOKOSA-N 1 2 370.403 2.934 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)ccc1C#N ZINC000171871093 510421186 /nfs/dbraw/zinc/42/11/86/510421186.db2.gz JLSUKBFMLRJLDT-OAHLLOKOSA-N 1 2 370.403 2.934 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000246355424 510445168 /nfs/dbraw/zinc/44/51/68/510445168.db2.gz MNXWHAUQUCJYFS-WFASDCNBSA-N 1 2 362.417 2.650 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000246355424 510445175 /nfs/dbraw/zinc/44/51/75/510445175.db2.gz MNXWHAUQUCJYFS-WFASDCNBSA-N 1 2 362.417 2.650 20 30 FFEDLO N#Cc1ccc(CSCC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000194657061 510468660 /nfs/dbraw/zinc/46/86/60/510468660.db2.gz CPRRTDMAJQAWRP-UHFFFAOYSA-N 1 2 363.446 2.689 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc(F)c(F)c1 ZINC000184699917 510471080 /nfs/dbraw/zinc/47/10/80/510471080.db2.gz AINQVEZFADZWAX-KRWDZBQOSA-N 1 2 367.440 2.992 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc(F)c(F)c1 ZINC000184699917 510471090 /nfs/dbraw/zinc/47/10/90/510471090.db2.gz AINQVEZFADZWAX-KRWDZBQOSA-N 1 2 367.440 2.992 20 30 FFEDLO Cn1nccc1/C=C1\C[N@H+](C2CCCCC2)C/C(=C/c2ccnn2C)C1=O ZINC000194701822 510486117 /nfs/dbraw/zinc/48/61/17/510486117.db2.gz PEJJCBSZWBVTNE-RFTYBOQRSA-N 1 2 365.481 2.838 20 30 FFEDLO Cn1nccc1/C=C1\C[N@@H+](C2CCCCC2)C/C(=C/c2ccnn2C)C1=O ZINC000194701822 510486121 /nfs/dbraw/zinc/48/61/21/510486121.db2.gz PEJJCBSZWBVTNE-RFTYBOQRSA-N 1 2 365.481 2.838 20 30 FFEDLO COc1ccc([C@H](NC(=O)Cc2ccc(C#N)cc2)c2[nH+]ccn2C)cc1 ZINC000194722431 510494504 /nfs/dbraw/zinc/49/45/04/510494504.db2.gz BNJPLNWOJHCBIH-FQEVSTJZSA-N 1 2 360.417 2.749 20 30 FFEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000191147194 510524008 /nfs/dbraw/zinc/52/40/08/510524008.db2.gz BVKMZWKPUYOITI-UHFFFAOYSA-N 1 2 370.453 2.691 20 30 FFEDLO C=CC[N@H+](CCOC)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000191147194 510524016 /nfs/dbraw/zinc/52/40/16/510524016.db2.gz BVKMZWKPUYOITI-UHFFFAOYSA-N 1 2 370.453 2.691 20 30 FFEDLO N#CCC[C@@H](C#N)C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191300990 510593446 /nfs/dbraw/zinc/59/34/46/510593446.db2.gz JKNNMPIRKCUANS-NSHDSACASA-N 1 2 358.393 2.513 20 30 FFEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191300990 510593452 /nfs/dbraw/zinc/59/34/52/510593452.db2.gz JKNNMPIRKCUANS-NSHDSACASA-N 1 2 358.393 2.513 20 30 FFEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000172395480 510706414 /nfs/dbraw/zinc/70/64/14/510706414.db2.gz OJGVMWSRWDTZJU-HNNXBMFYSA-N 1 2 363.417 2.806 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247462675 510861705 /nfs/dbraw/zinc/86/17/05/510861705.db2.gz UMYODNYXMXLIIY-JQHSSLGASA-N 1 2 364.511 2.531 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247462675 510861706 /nfs/dbraw/zinc/86/17/06/510861706.db2.gz UMYODNYXMXLIIY-JQHSSLGASA-N 1 2 364.511 2.531 20 30 FFEDLO CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000329922077 510879129 /nfs/dbraw/zinc/87/91/29/510879129.db2.gz GCYIUGSHMFUTGX-QZWWFDLISA-N 1 2 365.497 2.805 20 30 FFEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)C[C@H]21 ZINC000329948922 510884176 /nfs/dbraw/zinc/88/41/76/510884176.db2.gz ZMVYNARGOXSSKI-YPMHNXCESA-N 1 2 361.776 2.502 20 30 FFEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)C[C@H]21 ZINC000329948922 510884179 /nfs/dbraw/zinc/88/41/79/510884179.db2.gz ZMVYNARGOXSSKI-YPMHNXCESA-N 1 2 361.776 2.502 20 30 FFEDLO CCN1CCN(C(=O)NC[C@@H]2CCOc3ccccc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000329951459 510885850 /nfs/dbraw/zinc/88/58/50/510885850.db2.gz IGQBVAFEPIGIHS-RDJZCZTQSA-N 1 2 369.469 2.569 20 30 FFEDLO C=CCn1c(N2CC[NH+](Cc3nc(C)c(C)o3)CC2)nnc1C(C)(C)C ZINC000282211170 510886655 /nfs/dbraw/zinc/88/66/55/510886655.db2.gz HUINEDJHUCMGIB-UHFFFAOYSA-N 1 2 358.490 2.689 20 30 FFEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccccc3NC(=O)c3ccsc3)C[C@H]21 ZINC000329970511 510889444 /nfs/dbraw/zinc/88/94/44/510889444.db2.gz VAVPENUHZWMLFM-IAGOWNOFSA-N 1 2 371.462 2.539 20 30 FFEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccccc3NC(=O)c3ccsc3)C[C@H]21 ZINC000329970511 510889452 /nfs/dbraw/zinc/88/94/52/510889452.db2.gz VAVPENUHZWMLFM-IAGOWNOFSA-N 1 2 371.462 2.539 20 30 FFEDLO O=C(C[N@@H+]1CCC12CCC2)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000329967650 510890089 /nfs/dbraw/zinc/89/00/89/510890089.db2.gz WHUYTUYREVCXJP-UHFFFAOYSA-N 1 2 356.405 2.895 20 30 FFEDLO O=C(C[N@H+]1CCC12CCC2)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000329967650 510890095 /nfs/dbraw/zinc/89/00/95/510890095.db2.gz WHUYTUYREVCXJP-UHFFFAOYSA-N 1 2 356.405 2.895 20 30 FFEDLO C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)C[C@@H]1C ZINC000329977294 510891127 /nfs/dbraw/zinc/89/11/27/510891127.db2.gz FZTGKBSOOXGKFX-SRIISGBFSA-N 1 2 365.497 2.661 20 30 FFEDLO C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)C[C@@H]1C ZINC000329977294 510891136 /nfs/dbraw/zinc/89/11/36/510891136.db2.gz FZTGKBSOOXGKFX-SRIISGBFSA-N 1 2 365.497 2.661 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c(Br)c1 ZINC000285408692 510895475 /nfs/dbraw/zinc/89/54/75/510895475.db2.gz UQLKANJUNDYPPD-MRXNPFEDSA-N 1 2 351.244 2.702 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCCOC3)C2)c(Br)c1 ZINC000285408692 510895481 /nfs/dbraw/zinc/89/54/81/510895481.db2.gz UQLKANJUNDYPPD-MRXNPFEDSA-N 1 2 351.244 2.702 20 30 FFEDLO CCN1CCN(C(=O)NCCc2ccc(C)cc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329998156 510897167 /nfs/dbraw/zinc/89/71/67/510897167.db2.gz RVDXZLFXTQCXSW-SFHVURJKSA-N 1 2 355.486 2.862 20 30 FFEDLO C=C(C)[C@@H](CC(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1)OCC ZINC000275453695 510899958 /nfs/dbraw/zinc/89/99/58/510899958.db2.gz CQXAWGKNBNVGSJ-HXUWFJFHSA-N 1 2 373.497 2.661 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C/c3ccnc(Cl)c3)CC2)cc1 ZINC000270542065 510901473 /nfs/dbraw/zinc/90/14/73/510901473.db2.gz YDWBBBNXRNOAKK-AATRIKPKSA-N 1 2 366.852 2.964 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)C1(C#N)CCCC1 ZINC000275541962 510905803 /nfs/dbraw/zinc/90/58/03/510905803.db2.gz SOIRPRUHWXDCFF-GJZGRUSLSA-N 1 2 364.490 2.906 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)C1(C#N)CCCC1 ZINC000275541962 510905804 /nfs/dbraw/zinc/90/58/04/510905804.db2.gz SOIRPRUHWXDCFF-GJZGRUSLSA-N 1 2 364.490 2.906 20 30 FFEDLO C[C@@H]1[N@H+](CC(=O)NCc2ccccc2CN2CCCC2=O)CCOC1(C)C ZINC000330097286 510914750 /nfs/dbraw/zinc/91/47/50/510914750.db2.gz YFXNRKNTTYDASE-INIZCTEOSA-N 1 2 373.497 2.765 20 30 FFEDLO C[C@@H]1[N@@H+](CC(=O)NCc2ccccc2CN2CCCC2=O)CCOC1(C)C ZINC000330097286 510914755 /nfs/dbraw/zinc/91/47/55/510914755.db2.gz YFXNRKNTTYDASE-INIZCTEOSA-N 1 2 373.497 2.765 20 30 FFEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)C[C@@]2(CCOC2)O1 ZINC000330103700 510916802 /nfs/dbraw/zinc/91/68/02/510916802.db2.gz GNFTUYGAQOTKBR-SUYBPPKGSA-N 1 2 353.850 2.981 20 30 FFEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)C[C@@]2(CCOC2)O1 ZINC000330103700 510916808 /nfs/dbraw/zinc/91/68/08/510916808.db2.gz GNFTUYGAQOTKBR-SUYBPPKGSA-N 1 2 353.850 2.981 20 30 FFEDLO C[C@@H]1N(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)CCOC1(C)C ZINC000330308657 510961255 /nfs/dbraw/zinc/96/12/55/510961255.db2.gz MJQVZNVQQUDSBG-ZDUSSCGKSA-N 1 2 352.504 2.826 20 30 FFEDLO N#CCCCCNC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277964928 510977010 /nfs/dbraw/zinc/97/70/10/510977010.db2.gz ARMZOVWDLBAFAF-UHFFFAOYSA-N 1 2 365.437 2.635 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285657974 510998399 /nfs/dbraw/zinc/99/83/99/510998399.db2.gz YUSPNLAZUHXONQ-INIZCTEOSA-N 1 2 365.433 2.922 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285657974 510998404 /nfs/dbraw/zinc/99/84/04/510998404.db2.gz YUSPNLAZUHXONQ-INIZCTEOSA-N 1 2 365.433 2.922 20 30 FFEDLO C[C@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1c[nH]c2ccccc21 ZINC000278621338 511001389 /nfs/dbraw/zinc/00/13/89/511001389.db2.gz KCGRWYNUPQRYKF-QGZVFWFLSA-N 1 2 368.481 2.736 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)[C@H](C)CO)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000330791520 511017288 /nfs/dbraw/zinc/01/72/88/511017288.db2.gz AUHDJEFXPXZJEZ-PWONTQHFSA-N 1 2 373.419 2.760 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)N[C@H](C)[C@H](C)CO)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000330791520 511017293 /nfs/dbraw/zinc/01/72/93/511017293.db2.gz AUHDJEFXPXZJEZ-PWONTQHFSA-N 1 2 373.419 2.760 20 30 FFEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)C1 ZINC000330804759 511018594 /nfs/dbraw/zinc/01/85/94/511018594.db2.gz LHZSYPACAYMROZ-CYBMUJFWSA-N 1 2 370.444 2.714 20 30 FFEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)C1 ZINC000330804759 511018601 /nfs/dbraw/zinc/01/86/01/511018601.db2.gz LHZSYPACAYMROZ-CYBMUJFWSA-N 1 2 370.444 2.714 20 30 FFEDLO CCc1cc(N)nc(SCC(=O)Nc2ccccc2SCC#N)[nH+]1 ZINC000279143810 511020717 /nfs/dbraw/zinc/02/07/17/511020717.db2.gz YQIOXKXMGLMTCB-UHFFFAOYSA-N 1 2 359.480 2.968 20 30 FFEDLO CC(C)(C#N)CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000331009875 511036304 /nfs/dbraw/zinc/03/63/04/511036304.db2.gz RMQJXSKJFKFUNE-UHFFFAOYSA-N 1 2 350.444 2.744 20 30 FFEDLO C=CCCCN(C)C(=O)C(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000297717804 511045527 /nfs/dbraw/zinc/04/55/27/511045527.db2.gz FRSIOKFGFPZBIN-QGZVFWFLSA-N 1 2 368.481 2.760 20 30 FFEDLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000331199555 511050227 /nfs/dbraw/zinc/05/02/27/511050227.db2.gz WBCCWCXQDVXEII-CYBMUJFWSA-N 1 2 354.248 2.554 20 30 FFEDLO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000331199555 511050228 /nfs/dbraw/zinc/05/02/28/511050228.db2.gz WBCCWCXQDVXEII-CYBMUJFWSA-N 1 2 354.248 2.554 20 30 FFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000331346515 511062605 /nfs/dbraw/zinc/06/26/05/511062605.db2.gz WFIMNOPDIRCVGW-OAHLLOKOSA-N 1 2 367.490 2.774 20 30 FFEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)C(C)(C)C ZINC000288227186 511067930 /nfs/dbraw/zinc/06/79/30/511067930.db2.gz AGPDZQHOLGPRCN-QGZVFWFLSA-N 1 2 366.465 2.865 20 30 FFEDLO C=C(C)Cn1c(C2CCC2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000282755003 511098316 /nfs/dbraw/zinc/09/83/16/511098316.db2.gz BLPNFDHKZHZGIH-UHFFFAOYSA-N 1 2 356.474 2.740 20 30 FFEDLO C[C@H]1C[C@@H](CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000332875684 511136569 /nfs/dbraw/zinc/13/65/69/511136569.db2.gz DEDDEKNZBNHYNH-ROUUACIJSA-N 1 2 370.497 2.591 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ncccc3C(F)(F)F)CC2)cc1 ZINC000271354517 511174660 /nfs/dbraw/zinc/17/46/60/511174660.db2.gz MAKRVTBNTCHWQY-UHFFFAOYSA-N 1 2 374.366 2.930 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CCc1cnccn1 ZINC000271354101 511174964 /nfs/dbraw/zinc/17/49/64/511174964.db2.gz OWIVHDJQXFPHMV-OAHLLOKOSA-N 1 2 369.494 2.984 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CCc1cnccn1 ZINC000271354101 511174967 /nfs/dbraw/zinc/17/49/67/511174967.db2.gz OWIVHDJQXFPHMV-OAHLLOKOSA-N 1 2 369.494 2.984 20 30 FFEDLO COCCCOCC[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000271495678 511224299 /nfs/dbraw/zinc/22/42/99/511224299.db2.gz CJKDWEPHOMJSES-UHFFFAOYSA-N 1 2 357.454 2.723 20 30 FFEDLO COCCCOCC[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000271495678 511224304 /nfs/dbraw/zinc/22/43/04/511224304.db2.gz CJKDWEPHOMJSES-UHFFFAOYSA-N 1 2 357.454 2.723 20 30 FFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CC2(CC#N)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000333427566 511239308 /nfs/dbraw/zinc/23/93/08/511239308.db2.gz MZPCPEDVVWJSPM-HOTGVXAUSA-N 1 2 367.902 2.698 20 30 FFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CC2(CC#N)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000333427566 511239314 /nfs/dbraw/zinc/23/93/14/511239314.db2.gz MZPCPEDVVWJSPM-HOTGVXAUSA-N 1 2 367.902 2.698 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c(C#N)c1C ZINC000291880838 511375794 /nfs/dbraw/zinc/37/57/94/511375794.db2.gz QFFVOOFALDWUFC-QVKFZJNVSA-N 1 2 367.449 2.731 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c(C#N)c1C ZINC000291880838 511375802 /nfs/dbraw/zinc/37/58/02/511375802.db2.gz QFFVOOFALDWUFC-QVKFZJNVSA-N 1 2 367.449 2.731 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280311074 511416188 /nfs/dbraw/zinc/41/61/88/511416188.db2.gz GIEJSIZTEXOSDV-LAUBAEHRSA-N 1 2 371.481 2.592 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280311074 511416191 /nfs/dbraw/zinc/41/61/91/511416191.db2.gz GIEJSIZTEXOSDV-LAUBAEHRSA-N 1 2 371.481 2.592 20 30 FFEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)sc1C ZINC000292159195 511488334 /nfs/dbraw/zinc/48/83/34/511488334.db2.gz KTNMUTAEVQVPGS-WFASDCNBSA-N 1 2 371.466 2.507 20 30 FFEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)sc1C ZINC000292159195 511488338 /nfs/dbraw/zinc/48/83/38/511488338.db2.gz KTNMUTAEVQVPGS-WFASDCNBSA-N 1 2 371.466 2.507 20 30 FFEDLO C#CC[NH+]1CCC(C(=O)Nc2ccccc2S(=O)(=O)C2CCCC2)CC1 ZINC000292188872 511499699 /nfs/dbraw/zinc/49/96/99/511499699.db2.gz GVNYMMQZECTXGC-UHFFFAOYSA-N 1 2 374.506 2.687 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC(C)(C#N)CC1)c1ccc(F)cc1 ZINC000272693661 511503734 /nfs/dbraw/zinc/50/37/34/511503734.db2.gz WMNYHNBHUXQYRG-MRXNPFEDSA-N 1 2 355.417 2.984 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc1 ZINC000280543295 511504292 /nfs/dbraw/zinc/50/42/92/511504292.db2.gz PYVGMLALLOJMFO-WFXMLNOXSA-N 1 2 371.481 2.510 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc1 ZINC000280543295 511504295 /nfs/dbraw/zinc/50/42/95/511504295.db2.gz PYVGMLALLOJMFO-WFXMLNOXSA-N 1 2 371.481 2.510 20 30 FFEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]CC(=O)N(CC)C[C@H](C)C#N)n2)cc1 ZINC000273319220 511521647 /nfs/dbraw/zinc/52/16/47/511521647.db2.gz PCCKCISNRUHXIC-CABCVRRESA-N 1 2 369.469 2.958 20 30 FFEDLO COC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1ccco1 ZINC000273541980 511530372 /nfs/dbraw/zinc/53/03/72/511530372.db2.gz VSVTXKIGCRHRMR-CVEARBPZSA-N 1 2 371.437 2.901 20 30 FFEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000280617980 511534391 /nfs/dbraw/zinc/53/43/91/511534391.db2.gz BJKNAYMCLUNCJZ-UYAOXDASSA-N 1 2 368.481 2.906 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000280627142 511538765 /nfs/dbraw/zinc/53/87/65/511538765.db2.gz YPPXVGZMLNDQJE-HXUWFJFHSA-N 1 2 374.444 2.711 20 30 FFEDLO C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365656405 511585744 /nfs/dbraw/zinc/58/57/44/511585744.db2.gz GXSBTOUYMSUDNC-CQSZACIVSA-N 1 2 356.401 2.983 20 30 FFEDLO C=CCN1C(=O)N(CCc2cn3ccccc3[nH+]2)C(=O)[C@@H]1Cc1ccccc1 ZINC000349244729 511596419 /nfs/dbraw/zinc/59/64/19/511596419.db2.gz SNSCEVQFHOCJNZ-IBGZPJMESA-N 1 2 374.444 2.938 20 30 FFEDLO COc1cc(/C=C/C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1OCC#N ZINC000299692094 511667161 /nfs/dbraw/zinc/66/71/61/511667161.db2.gz WFWYPWSPSBTTHL-HWKANZROSA-N 1 2 366.421 2.740 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000281301772 511796390 /nfs/dbraw/zinc/79/63/90/511796390.db2.gz HYTJLJFSHFCYRX-KXBFYZLASA-N 1 2 359.495 2.973 20 30 FFEDLO N#C[C@H]1N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CCC[C@@]12CCCCO2 ZINC000366184257 511886310 /nfs/dbraw/zinc/88/63/10/511886310.db2.gz OXOZSMUPNKBRBX-QUCCMNQESA-N 1 2 350.422 2.940 20 30 FFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)NCC1CCC(C#N)CC1 ZINC000281612275 511906968 /nfs/dbraw/zinc/90/69/68/511906968.db2.gz BFOVXSQYUBEEOX-UHFFFAOYSA-N 1 2 357.380 2.917 20 30 FFEDLO Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328726851 511921756 /nfs/dbraw/zinc/92/17/56/511921756.db2.gz ZWYBWBVMTQMJCN-OALUTQOASA-N 1 2 370.428 2.756 20 30 FFEDLO Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328726851 511921761 /nfs/dbraw/zinc/92/17/61/511921761.db2.gz ZWYBWBVMTQMJCN-OALUTQOASA-N 1 2 370.428 2.756 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)C(C)(C)S(=O)(=O)C1CC1)C2 ZINC000328821453 511935762 /nfs/dbraw/zinc/93/57/62/511935762.db2.gz QIQSOQRIZLYROP-GFCCVEGCSA-N 1 2 367.515 2.808 20 30 FFEDLO O=C(Nc1cccc(C(F)(F)F)c1)N1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000328895095 511948178 /nfs/dbraw/zinc/94/81/78/511948178.db2.gz WBPSXTHUDIHMQN-ZDUSSCGKSA-N 1 2 356.348 2.597 20 30 FFEDLO C[C@@H]1CN(c2ccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)cn2)C[C@@H](C)O1 ZINC000328912957 511949647 /nfs/dbraw/zinc/94/96/47/511949647.db2.gz HSDQMKGYWHZJMU-KFWWJZLASA-N 1 2 355.442 2.742 20 30 FFEDLO Cc1noc([C@H]([NH2+]CC(=O)NC2CCC(C)CC2)C2CCOCC2)n1 ZINC000328943886 511955232 /nfs/dbraw/zinc/95/52/32/511955232.db2.gz FYEAHMRRBCWCGL-MWHAMWOXSA-N 1 2 350.463 2.971 20 30 FFEDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)NCC3(c4ccccc4)CCCC3)CC[C@@H]21 ZINC000328965464 511958745 /nfs/dbraw/zinc/95/87/45/511958745.db2.gz MJILPLWLCXFFPB-MSOLQXFVSA-N 1 2 370.497 2.757 20 30 FFEDLO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)NCC3(c4ccccc4)CCCC3)CC[C@@H]21 ZINC000328965464 511958751 /nfs/dbraw/zinc/95/87/51/511958751.db2.gz MJILPLWLCXFFPB-MSOLQXFVSA-N 1 2 370.497 2.757 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)NCC3(c4ccccc4)CC3)CC[C@@H]21 ZINC000328989480 511962068 /nfs/dbraw/zinc/96/20/68/511962068.db2.gz UYUGMTKRZYRBRI-MSOLQXFVSA-N 1 2 370.497 2.756 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)NCC3(c4ccccc4)CC3)CC[C@@H]21 ZINC000328989480 511962075 /nfs/dbraw/zinc/96/20/75/511962075.db2.gz UYUGMTKRZYRBRI-MSOLQXFVSA-N 1 2 370.497 2.756 20 30 FFEDLO CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000329020161 511967756 /nfs/dbraw/zinc/96/77/56/511967756.db2.gz HPUGDYJYPZLCQB-YCPHGPKFSA-N 1 2 352.504 2.688 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000281820231 511977970 /nfs/dbraw/zinc/97/79/70/511977970.db2.gz PEHWBFWNUUGXTA-MJGOQNOKSA-N 1 2 358.486 2.852 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N[C@H]2CCC(C)(C)C2)CCC(=O)N1C1CC1 ZINC000329155274 511994450 /nfs/dbraw/zinc/99/44/50/511994450.db2.gz BPBKUVNTUFMDMI-JCKWVBRZSA-N 1 2 373.501 2.697 20 30 FFEDLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000329333977 512028635 /nfs/dbraw/zinc/02/86/35/512028635.db2.gz XGSYOUHGXDDASF-KRWDZBQOSA-N 1 2 364.534 2.642 20 30 FFEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)Nc3cccc4c3OCO4)CC2)cs1 ZINC000329344755 512030337 /nfs/dbraw/zinc/03/03/37/512030337.db2.gz UJAUNPRWBFPZBB-UHFFFAOYSA-N 1 2 374.466 2.934 20 30 FFEDLO Cc1nc(C[N@H+]2CCCN(C(=O)Nc3cccc4c3OCO4)CC2)cs1 ZINC000329344755 512030344 /nfs/dbraw/zinc/03/03/44/512030344.db2.gz UJAUNPRWBFPZBB-UHFFFAOYSA-N 1 2 374.466 2.934 20 30 FFEDLO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)O1 ZINC000329354777 512032205 /nfs/dbraw/zinc/03/22/05/512032205.db2.gz VOXVMXJJOFQGQE-AUZPSNTRSA-N 1 2 355.435 2.700 20 30 FFEDLO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)O1 ZINC000329354777 512032210 /nfs/dbraw/zinc/03/22/10/512032210.db2.gz VOXVMXJJOFQGQE-AUZPSNTRSA-N 1 2 355.435 2.700 20 30 FFEDLO Cc1noc([C@H](NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C2CCOCC2)n1 ZINC000329367252 512034777 /nfs/dbraw/zinc/03/47/77/512034777.db2.gz HHJMHGVFACJVSV-HUUCEWRRSA-N 1 2 374.445 2.710 20 30 FFEDLO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000329361984 512034836 /nfs/dbraw/zinc/03/48/36/512034836.db2.gz CQPLKLXIJSGOFR-UHFFFAOYSA-N 1 2 359.470 2.869 20 30 FFEDLO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CCOCC3(CC3)C2)c1 ZINC000329361984 512034838 /nfs/dbraw/zinc/03/48/38/512034838.db2.gz CQPLKLXIJSGOFR-UHFFFAOYSA-N 1 2 359.470 2.869 20 30 FFEDLO CC[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)CC(=O)N1 ZINC000329408723 512040487 /nfs/dbraw/zinc/04/04/87/512040487.db2.gz DGIYVVBIPMQDLY-MJBXVCDLSA-N 1 2 360.462 2.589 20 30 FFEDLO CC[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)CC(=O)N1 ZINC000329408723 512040493 /nfs/dbraw/zinc/04/04/93/512040493.db2.gz DGIYVVBIPMQDLY-MJBXVCDLSA-N 1 2 360.462 2.589 20 30 FFEDLO C[C@@H]1C[C@H](C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CC(=O)N1 ZINC000329462091 512051508 /nfs/dbraw/zinc/05/15/08/512051508.db2.gz SRZJFHTUMHVOKJ-NEPJUHHUSA-N 1 2 357.414 2.743 20 30 FFEDLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000359870867 512053298 /nfs/dbraw/zinc/05/32/98/512053298.db2.gz JPSUSLCWCWXKPD-DNVCBOLYSA-N 1 2 355.463 2.810 20 30 FFEDLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000359870867 512053303 /nfs/dbraw/zinc/05/33/03/512053303.db2.gz JPSUSLCWCWXKPD-DNVCBOLYSA-N 1 2 355.463 2.810 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1ccccc1F ZINC000329494638 512057326 /nfs/dbraw/zinc/05/73/26/512057326.db2.gz UQERBLXNKDORLR-FVQBIDKESA-N 1 2 371.416 2.613 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](c2nncn2C)C(C)C)c1 ZINC000285273944 512060361 /nfs/dbraw/zinc/06/03/61/512060361.db2.gz DZAWMBCPWUIPEB-LJQANCHMSA-N 1 2 368.485 2.666 20 30 FFEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCO[C@@H]2CCC[C@H]21)C1CCOCC1 ZINC000329521817 512063629 /nfs/dbraw/zinc/06/36/29/512063629.db2.gz QXXJMVOBRRQSPN-BRWVUGGUSA-N 1 2 362.474 2.538 20 30 FFEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCOCC(F)(F)C3)n2)C1 ZINC000329610756 512076156 /nfs/dbraw/zinc/07/61/56/512076156.db2.gz CCHAXXJIQLJHGO-LBPRGKRZSA-N 1 2 374.457 2.888 20 30 FFEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCOCC(F)(F)C3)n2)C1 ZINC000329610756 512076160 /nfs/dbraw/zinc/07/61/60/512076160.db2.gz CCHAXXJIQLJHGO-LBPRGKRZSA-N 1 2 374.457 2.888 20 30 FFEDLO O=C(NC[C@@H]1CCCCS1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000329625326 512078795 /nfs/dbraw/zinc/07/87/95/512078795.db2.gz GKNUEBGTPFUGJH-ROUUACIJSA-N 1 2 363.527 2.849 20 30 FFEDLO CCn1cc(Br)c(=O)c(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c1 ZINC000329674027 512085733 /nfs/dbraw/zinc/08/57/33/512085733.db2.gz OIXJKYAFGPECII-ZDUSSCGKSA-N 1 2 354.248 2.846 20 30 FFEDLO CCn1cc(Br)c(=O)c(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)c1 ZINC000329674027 512085736 /nfs/dbraw/zinc/08/57/36/512085736.db2.gz OIXJKYAFGPECII-ZDUSSCGKSA-N 1 2 354.248 2.846 20 30 FFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000367586438 512571483 /nfs/dbraw/zinc/57/14/83/512571483.db2.gz PCHBPIQJHICVMO-CRAIPNDOSA-N 1 2 352.400 2.852 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000373985166 512607128 /nfs/dbraw/zinc/60/71/28/512607128.db2.gz VUCWGHKDCQHPNG-IHSNIMORSA-N 1 2 357.454 2.544 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000373985166 512607132 /nfs/dbraw/zinc/60/71/32/512607132.db2.gz VUCWGHKDCQHPNG-IHSNIMORSA-N 1 2 357.454 2.544 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H](O)COCc3cccs3)CCO2)c1 ZINC000376209135 512710347 /nfs/dbraw/zinc/71/03/47/512710347.db2.gz IJYONCANDIEWLV-PKOBYXMFSA-N 1 2 358.463 2.571 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H](O)COCc3cccs3)CCO2)c1 ZINC000376209135 512710352 /nfs/dbraw/zinc/71/03/52/512710352.db2.gz IJYONCANDIEWLV-PKOBYXMFSA-N 1 2 358.463 2.571 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000370059419 512746810 /nfs/dbraw/zinc/74/68/10/512746810.db2.gz IEJSEAYJMINRDK-MRXNPFEDSA-N 1 2 352.438 2.855 20 30 FFEDLO COc1ccccc1[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC[NH2+]1 ZINC000374336485 512775926 /nfs/dbraw/zinc/77/59/26/512775926.db2.gz GAULFLLMVXOKFT-KXBFYZLASA-N 1 2 365.433 2.507 20 30 FFEDLO N#CCCN(C(=O)CCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1)c1ccccc1 ZINC000378523423 512805001 /nfs/dbraw/zinc/80/50/01/512805001.db2.gz WMEPYCOEUMUHHM-KRWDZBQOSA-N 1 2 365.437 2.800 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c(C#N)c1C ZINC000370206577 512820744 /nfs/dbraw/zinc/82/07/44/512820744.db2.gz OGHMGVJGMFZWCI-OAHLLOKOSA-N 1 2 374.510 2.652 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c(C#N)c1C ZINC000370206577 512820750 /nfs/dbraw/zinc/82/07/50/512820750.db2.gz OGHMGVJGMFZWCI-OAHLLOKOSA-N 1 2 374.510 2.652 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1csnn1 ZINC000412034850 512921998 /nfs/dbraw/zinc/92/19/98/512921998.db2.gz GTKINVSJOCTLPP-STQMWFEESA-N 1 2 359.455 2.533 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000368517686 512984797 /nfs/dbraw/zinc/98/47/97/512984797.db2.gz CJRKLDCOARFBKI-OAHLLOKOSA-N 1 2 353.426 2.737 20 30 FFEDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000368844533 513119842 /nfs/dbraw/zinc/11/98/42/513119842.db2.gz NQYAUEOEMIZPCS-RDTXWAMCSA-N 1 2 368.437 2.781 20 30 FFEDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000368844533 513119845 /nfs/dbraw/zinc/11/98/45/513119845.db2.gz NQYAUEOEMIZPCS-RDTXWAMCSA-N 1 2 368.437 2.781 20 30 FFEDLO N#Cc1cc2c(nc1NCc1[nH+]ccn1CCCc1ccccc1)CCOC2 ZINC000450376788 513166750 /nfs/dbraw/zinc/16/67/50/513166750.db2.gz JOFCHNIBTRBLGC-UHFFFAOYSA-N 1 2 373.460 2.889 20 30 FFEDLO COc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)ccc1Cl ZINC000450488174 513218282 /nfs/dbraw/zinc/21/82/82/513218282.db2.gz XDJDOMGHUOWUIJ-CYBMUJFWSA-N 1 2 357.845 2.721 20 30 FFEDLO COc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)ccc1Cl ZINC000450488174 513218285 /nfs/dbraw/zinc/21/82/85/513218285.db2.gz XDJDOMGHUOWUIJ-CYBMUJFWSA-N 1 2 357.845 2.721 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000429014371 513254741 /nfs/dbraw/zinc/25/47/41/513254741.db2.gz WFJXBWGPVBUXDT-KBPBESRZSA-N 1 2 366.868 2.750 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000429014371 513254748 /nfs/dbraw/zinc/25/47/48/513254748.db2.gz WFJXBWGPVBUXDT-KBPBESRZSA-N 1 2 366.868 2.750 20 30 FFEDLO N#C[C@@H]1C[N@@H+](CCCC(=O)c2ccccc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000450617344 513275243 /nfs/dbraw/zinc/27/52/43/513275243.db2.gz SNXHXVNUKXJTMF-VGOFRKELSA-N 1 2 359.429 2.995 20 30 FFEDLO N#C[C@@H]1C[N@H+](CCCC(=O)c2ccccc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000450617344 513275249 /nfs/dbraw/zinc/27/52/49/513275249.db2.gz SNXHXVNUKXJTMF-VGOFRKELSA-N 1 2 359.429 2.995 20 30 FFEDLO O=C1N=NC([C@H]2CCC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)O1 ZINC000450894144 513387312 /nfs/dbraw/zinc/38/73/12/513387312.db2.gz FHGAWYUYCGBZLP-ZDUSSCGKSA-N 1 2 367.327 2.905 20 30 FFEDLO O=C1N=NC([C@H]2CCC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)O1 ZINC000450894144 513387320 /nfs/dbraw/zinc/38/73/20/513387320.db2.gz FHGAWYUYCGBZLP-ZDUSSCGKSA-N 1 2 367.327 2.905 20 30 FFEDLO CCOc1ccc(C(=O)N2CCC(Nc3cc(C)[nH+]cc3C#N)CC2)cc1 ZINC000425210488 513453435 /nfs/dbraw/zinc/45/34/35/513453435.db2.gz RIHMNCPDRKTRSX-UHFFFAOYSA-N 1 2 364.449 2.799 20 30 FFEDLO CCO[C@@H](C)c1noc(C[N@H+](C)CCOc2ccc(C#N)cc2OC)n1 ZINC000441350365 513545876 /nfs/dbraw/zinc/54/58/76/513545876.db2.gz HKIMQGVAXUDFRG-ZDUSSCGKSA-N 1 2 360.414 2.558 20 30 FFEDLO CCO[C@@H](C)c1noc(C[N@@H+](C)CCOc2ccc(C#N)cc2OC)n1 ZINC000441350365 513545883 /nfs/dbraw/zinc/54/58/83/513545883.db2.gz HKIMQGVAXUDFRG-ZDUSSCGKSA-N 1 2 360.414 2.558 20 30 FFEDLO CC(C)(C)N1CC[C@H]([NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1=O ZINC000425438067 513565777 /nfs/dbraw/zinc/56/57/77/513565777.db2.gz AAESUGGXCOYQMA-ROUUACIJSA-N 1 2 374.916 2.922 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425501476 513604532 /nfs/dbraw/zinc/60/45/32/513604532.db2.gz OGZRXRFYLBQMGD-HNNXBMFYSA-N 1 2 357.483 2.832 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425501476 513604536 /nfs/dbraw/zinc/60/45/36/513604536.db2.gz OGZRXRFYLBQMGD-HNNXBMFYSA-N 1 2 357.483 2.832 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@H](O)C(C)(C)C2)c1C#N ZINC000447875002 513613086 /nfs/dbraw/zinc/61/30/86/513613086.db2.gz NXQVAZLGZGOEBU-SFHVURJKSA-N 1 2 366.465 2.607 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@H](O)C(C)(C)C2)c1C#N ZINC000447875002 513613090 /nfs/dbraw/zinc/61/30/90/513613090.db2.gz NXQVAZLGZGOEBU-SFHVURJKSA-N 1 2 366.465 2.607 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000425530419 513622418 /nfs/dbraw/zinc/62/24/18/513622418.db2.gz FLASKELSOVRKLI-OAHLLOKOSA-N 1 2 353.447 2.897 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000425530419 513622424 /nfs/dbraw/zinc/62/24/24/513622424.db2.gz FLASKELSOVRKLI-OAHLLOKOSA-N 1 2 353.447 2.897 20 30 FFEDLO C[C@@H](C#N)CN(C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000441934722 513648199 /nfs/dbraw/zinc/64/81/99/513648199.db2.gz OAYMILXECVMKNK-AWEZNQCLSA-N 1 2 364.405 2.963 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000425589381 513652301 /nfs/dbraw/zinc/65/23/01/513652301.db2.gz UAJZXKBMFLRXMJ-AWPWWVNJSA-N 1 2 355.482 2.618 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cc(Cl)cc(F)c1F ZINC000442175534 513680152 /nfs/dbraw/zinc/68/01/52/513680152.db2.gz OPZCHAVPOXVCIE-UHFFFAOYSA-N 1 2 372.803 2.698 20 30 FFEDLO C=CCC[C@H](NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000435764421 513680934 /nfs/dbraw/zinc/68/09/34/513680934.db2.gz SXGVZZDUORIYEN-SFHVURJKSA-N 1 2 353.470 2.944 20 30 FFEDLO Cc1cccc2c1C[C@H](C(=O)N1CC[NH+](Cc3ccc(C#N)cc3)CC1)O2 ZINC000448576565 513788508 /nfs/dbraw/zinc/78/85/08/513788508.db2.gz BTKYRNLXCGXLKR-OAQYLSRUSA-N 1 2 361.445 2.515 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)cc1OC ZINC000425970335 513811156 /nfs/dbraw/zinc/81/11/56/513811156.db2.gz FAXUXDPQPBHUBR-SFHVURJKSA-N 1 2 373.497 2.838 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)cc1OC ZINC000425970335 513811160 /nfs/dbraw/zinc/81/11/60/513811160.db2.gz FAXUXDPQPBHUBR-SFHVURJKSA-N 1 2 373.497 2.838 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(CC#N)cc1Cl)C1CC1 ZINC000451540060 513819589 /nfs/dbraw/zinc/81/95/89/513819589.db2.gz WHRWXJDHLJKHMZ-OAHLLOKOSA-N 1 2 364.858 2.569 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000413813603 513829091 /nfs/dbraw/zinc/82/90/91/513829091.db2.gz DESCMPJWARYULN-LEWJYISDSA-N 1 2 370.541 2.595 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000422527503 513832291 /nfs/dbraw/zinc/83/22/91/513832291.db2.gz LYVYQMQRFLVNKB-QZTJIDSGSA-N 1 2 366.465 2.767 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1)c1ccc(F)c(F)c1 ZINC000426227435 513877365 /nfs/dbraw/zinc/87/73/65/513877365.db2.gz LRXJUIFGZBQOBT-MAUKXSAKSA-N 1 2 367.440 2.992 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NCC[N@H+]1CCO[C@@H](CC)C1)c1ccc(F)c(F)c1 ZINC000426227435 513877372 /nfs/dbraw/zinc/87/73/72/513877372.db2.gz LRXJUIFGZBQOBT-MAUKXSAKSA-N 1 2 367.440 2.992 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@@H+](CCC(N)=O)[C@H]1CCOc2ccccc21 ZINC000451715594 513932560 /nfs/dbraw/zinc/93/25/60/513932560.db2.gz QQKOZECFNFBDMX-SFHVURJKSA-N 1 2 353.397 2.899 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@H+](CCC(N)=O)[C@H]1CCOc2ccccc21 ZINC000451715594 513932567 /nfs/dbraw/zinc/93/25/67/513932567.db2.gz QQKOZECFNFBDMX-SFHVURJKSA-N 1 2 353.397 2.899 20 30 FFEDLO CCC(=O)c1ccc(C(F)(F)F)cc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414125582 513981641 /nfs/dbraw/zinc/98/16/41/513981641.db2.gz NDLDJNWUCOEYPW-CYBMUJFWSA-N 1 2 358.360 2.883 20 30 FFEDLO CCC(=O)c1ccc(C(F)(F)F)cc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414125582 513981646 /nfs/dbraw/zinc/98/16/46/513981646.db2.gz NDLDJNWUCOEYPW-CYBMUJFWSA-N 1 2 358.360 2.883 20 30 FFEDLO C[C@@H](Cc1nnc(SC[C@@H](O)C[N@H+](C)CCC#N)o1)c1ccccc1 ZINC000414136134 513984226 /nfs/dbraw/zinc/98/42/26/513984226.db2.gz HQTJPMDSOVQZOJ-HOCLYGCPSA-N 1 2 360.483 2.714 20 30 FFEDLO C[C@@H](Cc1nnc(SC[C@@H](O)C[N@@H+](C)CCC#N)o1)c1ccccc1 ZINC000414136134 513984234 /nfs/dbraw/zinc/98/42/34/513984234.db2.gz HQTJPMDSOVQZOJ-HOCLYGCPSA-N 1 2 360.483 2.714 20 30 FFEDLO Cc1cc(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)ccc1C#N ZINC000443887801 514062131 /nfs/dbraw/zinc/06/21/31/514062131.db2.gz IPFDUDPNSYSJPU-UHFFFAOYSA-N 1 2 352.419 2.735 20 30 FFEDLO C=CCc1cc(CNC(=O)NCc2c[nH+]ccc2OC)cc(OC)c1OC ZINC000432126833 514102125 /nfs/dbraw/zinc/10/21/25/514102125.db2.gz BITRBZXMBVPUPA-UHFFFAOYSA-N 1 2 371.437 2.835 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+](CCOC)Cc1ccc(F)c(Cl)c1 ZINC000451971795 514102498 /nfs/dbraw/zinc/10/24/98/514102498.db2.gz DMYUULMGOCGYAC-UHFFFAOYSA-N 1 2 355.841 2.690 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+](CCOC)Cc1ccc(F)c(Cl)c1 ZINC000451971795 514102505 /nfs/dbraw/zinc/10/25/05/514102505.db2.gz DMYUULMGOCGYAC-UHFFFAOYSA-N 1 2 355.841 2.690 20 30 FFEDLO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2nc(C#N)cs2)c1 ZINC000414497197 514148644 /nfs/dbraw/zinc/14/86/44/514148644.db2.gz SBVPHIUHTUYHFV-UHFFFAOYSA-N 1 2 355.872 2.752 20 30 FFEDLO CS(=O)(=O)N(Cc1c[nH+]cn1Cc1ccccc1)c1cccc(C#N)c1 ZINC000437602918 514191559 /nfs/dbraw/zinc/19/15/59/514191559.db2.gz JXVYTMDZVAQKJL-UHFFFAOYSA-N 1 2 366.446 2.769 20 30 FFEDLO N#Cc1ccc2ncc(C[N@@H+]3C[C@H](c4ccccc4)[C@@](F)(CO)C3)n2c1 ZINC000449421697 514204035 /nfs/dbraw/zinc/20/40/35/514204035.db2.gz LUSHIJVBGBHDQP-QUCCMNQESA-N 1 2 350.397 2.506 20 30 FFEDLO N#Cc1ccc2ncc(C[N@H+]3C[C@H](c4ccccc4)[C@@](F)(CO)C3)n2c1 ZINC000449421697 514204043 /nfs/dbraw/zinc/20/40/43/514204043.db2.gz LUSHIJVBGBHDQP-QUCCMNQESA-N 1 2 350.397 2.506 20 30 FFEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000449668347 514292994 /nfs/dbraw/zinc/29/29/94/514292994.db2.gz STJAWMMLAYWOHQ-ZDUSSCGKSA-N 1 2 351.376 2.522 20 30 FFEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000449668347 514292998 /nfs/dbraw/zinc/29/29/98/514292998.db2.gz STJAWMMLAYWOHQ-ZDUSSCGKSA-N 1 2 351.376 2.522 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2cccc(SCC#N)c2)CCO1 ZINC000432882533 514312154 /nfs/dbraw/zinc/31/21/54/514312154.db2.gz ALKURHYBDVTTQU-YOEHRIQHSA-N 1 2 356.451 2.686 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444770171 514324546 /nfs/dbraw/zinc/32/45/46/514324546.db2.gz KZDHNWINODXXCD-UHFFFAOYSA-N 1 2 360.889 2.758 20 30 FFEDLO CCc1c[nH+]ccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000449893008 514411723 /nfs/dbraw/zinc/41/17/23/514411723.db2.gz TUIMGLSOJIVIDM-AWEZNQCLSA-N 1 2 368.824 2.583 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CCn4cc[nH+]c4C3)cc2)nc1 ZINC000428353490 514454655 /nfs/dbraw/zinc/45/46/55/514454655.db2.gz VGOTWXIIHVBMSX-INIZCTEOSA-N 1 2 359.389 2.687 20 30 FFEDLO CC(C)[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)c1ccc2c(c1)OCCO2 ZINC000433315047 514456682 /nfs/dbraw/zinc/45/66/82/514456682.db2.gz WZJLDJVFFRZHPT-LJQANCHMSA-N 1 2 359.470 2.753 20 30 FFEDLO CC(C)[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)c1ccc2c(c1)OCCO2 ZINC000433315047 514456684 /nfs/dbraw/zinc/45/66/84/514456684.db2.gz WZJLDJVFFRZHPT-LJQANCHMSA-N 1 2 359.470 2.753 20 30 FFEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCN(C3CC3)C(=O)C2)c1 ZINC000502330531 514617515 /nfs/dbraw/zinc/61/75/15/514617515.db2.gz FJJOWONOJFAQMZ-UHFFFAOYSA-N 1 2 361.445 2.944 20 30 FFEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCN(C3CC3)C(=O)C2)c1 ZINC000502330531 514617521 /nfs/dbraw/zinc/61/75/21/514617521.db2.gz FJJOWONOJFAQMZ-UHFFFAOYSA-N 1 2 361.445 2.944 20 30 FFEDLO N#Cc1ccc(NCC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000484326179 514632980 /nfs/dbraw/zinc/63/29/80/514632980.db2.gz LJRURPWKTNZFTJ-UHFFFAOYSA-N 1 2 368.868 2.968 20 30 FFEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000470995510 514710443 /nfs/dbraw/zinc/71/04/43/514710443.db2.gz PHVMCZLEBROEES-DNVCBOLYSA-N 1 2 374.916 2.970 20 30 FFEDLO CC[C@@H]1NC(=O)N(c2cccc(NCc3c[nH+]c4ccc(C#N)cn34)c2)C1=O ZINC000475548644 514710803 /nfs/dbraw/zinc/71/08/03/514710803.db2.gz NANNNGCXLCJVOV-KRWDZBQOSA-N 1 2 374.404 2.653 20 30 FFEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000471007643 514714734 /nfs/dbraw/zinc/71/47/34/514714734.db2.gz QKNHSPAGNLYBLZ-LJQANCHMSA-N 1 2 374.916 2.925 20 30 FFEDLO Cc1ccn2cc(CNS(=O)(=O)c3cc(C#N)ccc3Cl)[nH+]c2c1 ZINC000475567957 514717983 /nfs/dbraw/zinc/71/79/83/514717983.db2.gz DXSFZSYGUZRDQI-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCN(C(=O)c3cc(C)n[nH]3)C[C@H]2C)cc1 ZINC000453606020 514719190 /nfs/dbraw/zinc/71/91/90/514719190.db2.gz DWVPNSIXHGPCGA-MRXNPFEDSA-N 1 2 354.454 2.629 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCN(C(=O)c3cc(C)n[nH]3)C[C@H]2C)cc1 ZINC000453606020 514719193 /nfs/dbraw/zinc/71/91/93/514719193.db2.gz DWVPNSIXHGPCGA-MRXNPFEDSA-N 1 2 354.454 2.629 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCN(C(=O)c3cc(C)[nH]n3)C[C@H]2C)cc1 ZINC000453606020 514719198 /nfs/dbraw/zinc/71/91/98/514719198.db2.gz DWVPNSIXHGPCGA-MRXNPFEDSA-N 1 2 354.454 2.629 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCN(C(=O)c3cc(C)[nH]n3)C[C@H]2C)cc1 ZINC000453606020 514719201 /nfs/dbraw/zinc/71/92/01/514719201.db2.gz DWVPNSIXHGPCGA-MRXNPFEDSA-N 1 2 354.454 2.629 20 30 FFEDLO N#Cc1ncc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1Cl ZINC000455754259 514721790 /nfs/dbraw/zinc/72/17/90/514721790.db2.gz LMNODDKBRKNRQZ-UHFFFAOYSA-N 1 2 356.817 2.924 20 30 FFEDLO COc1cc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000508267143 514726610 /nfs/dbraw/zinc/72/66/10/514726610.db2.gz YLKIMPDXDCYMEB-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(Oc2ccccn2)CC1 ZINC000471155460 514774209 /nfs/dbraw/zinc/77/42/09/514774209.db2.gz FAGZVODECSIFLV-OAHLLOKOSA-N 1 2 350.422 2.824 20 30 FFEDLO C[C@@H](C(=O)N1CCC[N@H+](Cc2cscn2)CC1)c1cccc(C#N)c1 ZINC000462015368 514832265 /nfs/dbraw/zinc/83/22/65/514832265.db2.gz OHXJCVLYTXVIIH-OAHLLOKOSA-N 1 2 354.479 2.853 20 30 FFEDLO C[C@@H](C(=O)N1CCC[N@@H+](Cc2cscn2)CC1)c1cccc(C#N)c1 ZINC000462015368 514832272 /nfs/dbraw/zinc/83/22/72/514832272.db2.gz OHXJCVLYTXVIIH-OAHLLOKOSA-N 1 2 354.479 2.853 20 30 FFEDLO N#CCc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000455923404 514835925 /nfs/dbraw/zinc/83/59/25/514835925.db2.gz SWIPBCDUCYCGCM-UHFFFAOYSA-N 1 2 359.433 2.974 20 30 FFEDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000503091200 514916375 /nfs/dbraw/zinc/91/63/75/514916375.db2.gz SSXRFSXXWMVPPW-HXUWFJFHSA-N 1 2 370.474 2.756 20 30 FFEDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000503091200 514916384 /nfs/dbraw/zinc/91/63/84/514916384.db2.gz SSXRFSXXWMVPPW-HXUWFJFHSA-N 1 2 370.474 2.756 20 30 FFEDLO C=CCC[C@@H](CO)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000458585230 514926461 /nfs/dbraw/zinc/92/64/61/514926461.db2.gz VEBCVEBIZACLRK-PKOBYXMFSA-N 1 2 356.470 2.868 20 30 FFEDLO CN(CC(C)(C)C#N)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000458605123 514948452 /nfs/dbraw/zinc/94/84/52/514948452.db2.gz DQAGOJTVXDIURX-CVEARBPZSA-N 1 2 350.413 2.901 20 30 FFEDLO CN(CC(C)(C)C#N)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000458605123 514948462 /nfs/dbraw/zinc/94/84/62/514948462.db2.gz DQAGOJTVXDIURX-CVEARBPZSA-N 1 2 350.413 2.901 20 30 FFEDLO C[C@@H](NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(C#N)cc1 ZINC000498643508 515007579 /nfs/dbraw/zinc/00/75/79/515007579.db2.gz LKMUYGFQHSBYFF-CQSZACIVSA-N 1 2 359.389 2.560 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458852067 515143589 /nfs/dbraw/zinc/14/35/89/515143589.db2.gz VFZAQLCAWJHSHN-HKUYNNGSSA-N 1 2 358.486 2.784 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccccc3OCC(C)C)CC2)c1C#N ZINC000472149156 515145290 /nfs/dbraw/zinc/14/52/90/515145290.db2.gz BWMNMMUCVUKYEM-UHFFFAOYSA-N 1 2 367.497 2.957 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](CCSc3ccccc3F)CC2)c1C#N ZINC000472164474 515152377 /nfs/dbraw/zinc/15/23/77/515152377.db2.gz XHZZREMDGYVOBX-UHFFFAOYSA-N 1 2 359.474 2.654 20 30 FFEDLO Cc1ccc(F)c(OCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000481119931 515214575 /nfs/dbraw/zinc/21/45/75/515214575.db2.gz RXLAZLCBLPJYLL-UHFFFAOYSA-N 1 2 367.424 2.729 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)c1C ZINC000485855170 515218299 /nfs/dbraw/zinc/21/82/99/515218299.db2.gz MBTKUKIONHYMNM-QGZVFWFLSA-N 1 2 372.513 2.785 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)c1C ZINC000485855170 515218308 /nfs/dbraw/zinc/21/83/08/515218308.db2.gz MBTKUKIONHYMNM-QGZVFWFLSA-N 1 2 372.513 2.785 20 30 FFEDLO Cc1[nH+]c2cc(NC(=O)COc3ccc(C#N)cc3)ccc2n1[C@H](C)CO ZINC000456700106 515363995 /nfs/dbraw/zinc/36/39/95/515363995.db2.gz FHVBMYKJHXEKNM-CYBMUJFWSA-N 1 2 364.405 2.787 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC000459189161 515386360 /nfs/dbraw/zinc/38/63/60/515386360.db2.gz WCFXCWFFLQITRT-UHFFFAOYSA-N 1 2 367.453 2.599 20 30 FFEDLO CC1CCN(C(=O)C2CC[NH+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)CC1 ZINC000459289296 515449332 /nfs/dbraw/zinc/44/93/32/515449332.db2.gz ALWFCXSLSOYORS-UHFFFAOYSA-N 1 2 370.453 2.937 20 30 FFEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000454411382 515468198 /nfs/dbraw/zinc/46/81/98/515468198.db2.gz RNRQQZWWQRJHIA-UHFFFAOYSA-N 1 2 362.477 2.866 20 30 FFEDLO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459323611 515470926 /nfs/dbraw/zinc/47/09/26/515470926.db2.gz JOTFXFAVTSOZDZ-CQSZACIVSA-N 1 2 358.442 2.839 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000459334667 515481006 /nfs/dbraw/zinc/48/10/06/515481006.db2.gz AACHGAKPYKCRAC-UHFFFAOYSA-N 1 2 362.393 2.889 20 30 FFEDLO CN(C)C(=O)C[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000459398145 515524869 /nfs/dbraw/zinc/52/48/69/515524869.db2.gz TUZBPOXZYIANGF-QGZVFWFLSA-N 1 2 352.394 2.776 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2cccc3ccccc32)C1=O ZINC000499989984 515547653 /nfs/dbraw/zinc/54/76/53/515547653.db2.gz NLWHCYQRTJSWQU-JXFKEZNVSA-N 1 2 365.477 2.736 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2cccc3ccccc32)C1=O ZINC000499989984 515547661 /nfs/dbraw/zinc/54/76/61/515547661.db2.gz NLWHCYQRTJSWQU-JXFKEZNVSA-N 1 2 365.477 2.736 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](C)c2cccc3ccccc32)C1=O ZINC000499989987 515548136 /nfs/dbraw/zinc/54/81/36/515548136.db2.gz NLWHCYQRTJSWQU-OXQOHEQNSA-N 1 2 365.477 2.736 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](C)c2cccc3ccccc32)C1=O ZINC000499989987 515548143 /nfs/dbraw/zinc/54/81/43/515548143.db2.gz NLWHCYQRTJSWQU-OXQOHEQNSA-N 1 2 365.477 2.736 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)C1=O ZINC000500022539 515562548 /nfs/dbraw/zinc/56/25/48/515562548.db2.gz BVZIMUAPDDGUJH-BXWFABGCSA-N 1 2 357.498 2.533 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)C1=O ZINC000500022539 515562555 /nfs/dbraw/zinc/56/25/55/515562555.db2.gz BVZIMUAPDDGUJH-BXWFABGCSA-N 1 2 357.498 2.533 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000505735839 515650401 /nfs/dbraw/zinc/65/04/01/515650401.db2.gz IVWMQAHMQVHHSM-HXUWFJFHSA-N 1 2 370.453 2.723 20 30 FFEDLO Cc1ccn2cc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[nH+]c2c1 ZINC000505798496 515675213 /nfs/dbraw/zinc/67/52/13/515675213.db2.gz CSIZADFCNVLALN-IBGZPJMESA-N 1 2 356.426 2.521 20 30 FFEDLO C=CCOC[C@H]([NH2+][C@@H](C)Cc1ccc(Br)cc1)C(=O)OC ZINC000482439040 515677315 /nfs/dbraw/zinc/67/73/15/515677315.db2.gz OAKSBTUUVCLZGB-WFASDCNBSA-N 1 2 356.260 2.714 20 30 FFEDLO C[S@](=O)c1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000506101161 515779980 /nfs/dbraw/zinc/77/99/80/515779980.db2.gz NVYHZDLLPXLRST-VWLOTQADSA-N 1 2 353.491 2.613 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)NCC(C)(C)CCC#N)c[nH+]2)C[C@H](C)O1 ZINC000478357607 515792943 /nfs/dbraw/zinc/79/29/43/515792943.db2.gz QKEOVSGAIIBOII-HOTGVXAUSA-N 1 2 373.501 2.824 20 30 FFEDLO Cc1cccc2[nH+]c(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cn21 ZINC000506329867 515850474 /nfs/dbraw/zinc/85/04/74/515850474.db2.gz HEEFPLWKXXNDBU-LJQANCHMSA-N 1 2 356.426 2.521 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000459874126 515865070 /nfs/dbraw/zinc/86/50/70/515865070.db2.gz YBRCGMPQUJOPCL-WBVHZDCISA-N 1 2 372.494 2.569 20 30 FFEDLO C[C@@H]1CCc2nc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)sc2C1 ZINC000506633686 515937899 /nfs/dbraw/zinc/93/78/99/515937899.db2.gz PRDZUPIFVJZUJG-CQSZACIVSA-N 1 2 353.495 2.857 20 30 FFEDLO CN(CC(=O)NC1(C#N)CCCCC1)Cc1[nH+]ccn1Cc1ccccc1 ZINC000464739339 515942672 /nfs/dbraw/zinc/94/26/72/515942672.db2.gz PSEZIMCWDRALPR-UHFFFAOYSA-N 1 2 365.481 2.706 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000487768733 515968934 /nfs/dbraw/zinc/96/89/34/515968934.db2.gz HRPOIYYHEZQQQM-INIZCTEOSA-N 1 2 372.513 2.786 20 30 FFEDLO COc1ccc([C@@H](NC(=O)NCC(C)(C)CC#N)c2[nH+]ccn2C)cc1 ZINC000457561631 515974423 /nfs/dbraw/zinc/97/44/23/515974423.db2.gz LXWHSPVCHNIKDM-MRXNPFEDSA-N 1 2 355.442 2.757 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)NCc1c[nH+]c(C)cc1C ZINC000455134442 515983526 /nfs/dbraw/zinc/98/35/26/515983526.db2.gz JVQWTHCVHPEIRJ-UHFFFAOYSA-N 1 2 354.410 2.917 20 30 FFEDLO Cc1cccc([C@@H](CNC(=O)N(C)CC(C)(C)C#N)[NH+]2CCOCC2)c1 ZINC000457676708 516061748 /nfs/dbraw/zinc/06/17/48/516061748.db2.gz FSFYMYBIGIVGIN-GOSISDBHSA-N 1 2 358.486 2.560 20 30 FFEDLO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507165864 516108512 /nfs/dbraw/zinc/10/85/12/516108512.db2.gz SMECVSBHIVDAJU-MRXNPFEDSA-N 1 2 366.440 2.524 20 30 FFEDLO CN(CC1CCCCC1)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507164559 516108594 /nfs/dbraw/zinc/10/85/94/516108594.db2.gz KHAJJYSLIHEBRU-UHFFFAOYSA-N 1 2 372.488 2.858 20 30 FFEDLO COc1ccc(F)c(N2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)c1 ZINC000483636425 516153690 /nfs/dbraw/zinc/15/36/90/516153690.db2.gz NEFUPDMAGNQROO-UHFFFAOYSA-N 1 2 365.412 2.676 20 30 FFEDLO COc1ccc(F)c(N2CCN(Cc3c[nH+]c4ccc(C#N)cn34)CC2)c1 ZINC000483636425 516153701 /nfs/dbraw/zinc/15/37/01/516153701.db2.gz NEFUPDMAGNQROO-UHFFFAOYSA-N 1 2 365.412 2.676 20 30 FFEDLO Cc1cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)nn1-c1cccc(C#N)c1 ZINC000507299285 516161499 /nfs/dbraw/zinc/16/14/99/516161499.db2.gz GNAAZVUEIZVKEE-QRWLVFNGSA-N 1 2 374.448 2.972 20 30 FFEDLO CC(C)(C)[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nc(-c2nc[nH]n2)no1 ZINC000483712593 516184926 /nfs/dbraw/zinc/18/49/26/516184926.db2.gz MJPMOQKOZXTGIO-CYBMUJFWSA-N 1 2 355.377 2.742 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000460593958 516198640 /nfs/dbraw/zinc/19/86/40/516198640.db2.gz CUCJVVMWNXVTCJ-IBGZPJMESA-N 1 2 364.445 2.790 20 30 FFEDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCO1 ZINC000488499576 516242732 /nfs/dbraw/zinc/24/27/32/516242732.db2.gz CEGFEPFVTAZZHW-CQSZACIVSA-N 1 2 370.375 2.809 20 30 FFEDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCO1 ZINC000488499576 516242740 /nfs/dbraw/zinc/24/27/40/516242740.db2.gz CEGFEPFVTAZZHW-CQSZACIVSA-N 1 2 370.375 2.809 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCCc1cccs1 ZINC000512420981 516271658 /nfs/dbraw/zinc/27/16/58/516271658.db2.gz OUYDVIOYKOIQDH-OAHLLOKOSA-N 1 2 362.495 2.959 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCCc1cccs1 ZINC000512420981 516271663 /nfs/dbraw/zinc/27/16/63/516271663.db2.gz OUYDVIOYKOIQDH-OAHLLOKOSA-N 1 2 362.495 2.959 20 30 FFEDLO CCC[N@H+](CC(=O)NC1(C#N)CCC1)[C@H](C)C(=O)Nc1ccccc1C ZINC000554263215 516348725 /nfs/dbraw/zinc/34/87/25/516348725.db2.gz HVZQXJCQHJHRNE-MRXNPFEDSA-N 1 2 356.470 2.597 20 30 FFEDLO CCC[N@@H+](CC(=O)NC1(C#N)CCC1)[C@H](C)C(=O)Nc1ccccc1C ZINC000554263215 516348732 /nfs/dbraw/zinc/34/87/32/516348732.db2.gz HVZQXJCQHJHRNE-MRXNPFEDSA-N 1 2 356.470 2.597 20 30 FFEDLO CCC(C#N)(CC)C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000528337618 516359633 /nfs/dbraw/zinc/35/96/33/516359633.db2.gz KZPAESQRVLUUMC-UHFFFAOYSA-N 1 2 369.469 2.706 20 30 FFEDLO CN(C)c1[nH+]cccc1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000561087674 516371093 /nfs/dbraw/zinc/37/10/93/516371093.db2.gz LKVWVNLXLRTUTJ-AWEZNQCLSA-N 1 2 353.401 2.623 20 30 FFEDLO Cc1ccccc1[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000528395047 516406105 /nfs/dbraw/zinc/40/61/05/516406105.db2.gz ZTQSAGSFLGNBTB-WIYYLYMNSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1ccccc1[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000528395047 516406115 /nfs/dbraw/zinc/40/61/15/516406115.db2.gz ZTQSAGSFLGNBTB-WIYYLYMNSA-N 1 2 352.434 2.680 20 30 FFEDLO C[C@H](c1cccc(NC(=O)Cc2ccc(C#N)nc2)c1)[NH+]1CCOCC1 ZINC000528421918 516424478 /nfs/dbraw/zinc/42/44/78/516424478.db2.gz GXTMGXZGTKLVIX-OAHLLOKOSA-N 1 2 350.422 2.528 20 30 FFEDLO CC(C)[N@H+](CC(=O)Nc1ccc(C#N)cc1)CC(=O)N1CCCCCC1 ZINC000513235689 516537943 /nfs/dbraw/zinc/53/79/43/516537943.db2.gz DFLULMPJICFKCU-UHFFFAOYSA-N 1 2 356.470 2.610 20 30 FFEDLO CC(C)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)CC(=O)N1CCCCCC1 ZINC000513235689 516537948 /nfs/dbraw/zinc/53/79/48/516537948.db2.gz DFLULMPJICFKCU-UHFFFAOYSA-N 1 2 356.470 2.610 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000561384278 516555155 /nfs/dbraw/zinc/55/51/55/516555155.db2.gz YNRXZXSDXRRTPF-GOSISDBHSA-N 1 2 356.389 2.519 20 30 FFEDLO C=C(C)Cn1c(SCC[N@H+]2CCOC[C@@H]2C)nnc1-c1ccncc1 ZINC000551086090 516557663 /nfs/dbraw/zinc/55/76/63/516557663.db2.gz IEEDITXHBTUBFN-HNNXBMFYSA-N 1 2 359.499 2.729 20 30 FFEDLO C=C(C)Cn1c(SCC[N@@H+]2CCOC[C@@H]2C)nnc1-c1ccncc1 ZINC000551086090 516557674 /nfs/dbraw/zinc/55/76/74/516557674.db2.gz IEEDITXHBTUBFN-HNNXBMFYSA-N 1 2 359.499 2.729 20 30 FFEDLO COc1cc(C[NH+]2CCN(C(=O)c3cscc3C#N)CC2)cc(OC)c1 ZINC000551359279 516673348 /nfs/dbraw/zinc/67/33/48/516673348.db2.gz KZEZAQXQRITETP-UHFFFAOYSA-N 1 2 371.462 2.595 20 30 FFEDLO N#CCCN(C(=O)C[N@H+]1CC[C@H](OC(F)F)C1)c1cccc(Cl)c1 ZINC000555071191 516765757 /nfs/dbraw/zinc/76/57/57/516765757.db2.gz NZTRYZIYXXCBJA-AWEZNQCLSA-N 1 2 357.788 2.900 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@H](OC(F)F)C1)c1cccc(Cl)c1 ZINC000555071191 516765763 /nfs/dbraw/zinc/76/57/63/516765763.db2.gz NZTRYZIYXXCBJA-AWEZNQCLSA-N 1 2 357.788 2.900 20 30 FFEDLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H](c2ccco2)C1 ZINC000561780023 516770146 /nfs/dbraw/zinc/77/01/46/516770146.db2.gz YEMHNDPWCJXOQX-GOEBONIOSA-N 1 2 359.451 2.793 20 30 FFEDLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H](c2ccco2)C1 ZINC000561780023 516770154 /nfs/dbraw/zinc/77/01/54/516770154.db2.gz YEMHNDPWCJXOQX-GOEBONIOSA-N 1 2 359.451 2.793 20 30 FFEDLO COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000551596501 516780824 /nfs/dbraw/zinc/78/08/24/516780824.db2.gz DQPBQEYDGNDZFL-HNNXBMFYSA-N 1 2 352.394 2.580 20 30 FFEDLO COc1cc[nH+]cc1NC(=O)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000551596502 516781401 /nfs/dbraw/zinc/78/14/01/516781401.db2.gz DQPBQEYDGNDZFL-OAHLLOKOSA-N 1 2 352.394 2.580 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000536551705 516821369 /nfs/dbraw/zinc/82/13/69/516821369.db2.gz YLOXDAPIHJDPFY-QUCCMNQESA-N 1 2 355.388 2.941 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000536551705 516821382 /nfs/dbraw/zinc/82/13/82/516821382.db2.gz YLOXDAPIHJDPFY-QUCCMNQESA-N 1 2 355.388 2.941 20 30 FFEDLO C=CC[N@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)Cc1ccccc1F ZINC000532153131 516828023 /nfs/dbraw/zinc/82/80/23/516828023.db2.gz YBGHUNRZABFFFG-SFHVURJKSA-N 1 2 354.425 2.934 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)Cc1ccccc1F ZINC000532153131 516828037 /nfs/dbraw/zinc/82/80/37/516828037.db2.gz YBGHUNRZABFFFG-SFHVURJKSA-N 1 2 354.425 2.934 20 30 FFEDLO C[C@H](NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc(F)cc1 ZINC000558629063 516846294 /nfs/dbraw/zinc/84/62/94/516846294.db2.gz NFWXMOHGPVWVKQ-INIZCTEOSA-N 1 2 366.440 2.955 20 30 FFEDLO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000555267944 516857385 /nfs/dbraw/zinc/85/73/85/516857385.db2.gz FTXSZMLDIWTAKR-UHFFFAOYSA-N 1 2 364.453 2.831 20 30 FFEDLO CC#CC[NH+]1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000525120083 516922713 /nfs/dbraw/zinc/92/27/13/516922713.db2.gz RISMTTYQKSYIBW-UHFFFAOYSA-N 1 2 355.442 2.742 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000548425765 516977054 /nfs/dbraw/zinc/97/70/54/516977054.db2.gz APTMVSRQGYVFNL-VCBZYWHSSA-N 1 2 359.445 2.960 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000548425765 516977057 /nfs/dbraw/zinc/97/70/57/516977057.db2.gz APTMVSRQGYVFNL-VCBZYWHSSA-N 1 2 359.445 2.960 20 30 FFEDLO COCc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1C#N ZINC000529210609 517006454 /nfs/dbraw/zinc/00/64/54/517006454.db2.gz CYJLIKNQMRFUNP-KRWDZBQOSA-N 1 2 351.410 2.500 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)NCC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000562391773 517074601 /nfs/dbraw/zinc/07/46/01/517074601.db2.gz RTSRCJTZXFCDHV-GJZGRUSLSA-N 1 2 350.825 2.827 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)NCC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000562391773 517074610 /nfs/dbraw/zinc/07/46/10/517074610.db2.gz RTSRCJTZXFCDHV-GJZGRUSLSA-N 1 2 350.825 2.827 20 30 FFEDLO CCc1ccc(O[C@H](C)C(=O)N2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000559094447 517079652 /nfs/dbraw/zinc/07/96/52/517079652.db2.gz IWZREWAAKBJEFG-NEWSRXKRSA-N 1 2 355.482 2.853 20 30 FFEDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)c1 ZINC000545387853 517213295 /nfs/dbraw/zinc/21/32/95/517213295.db2.gz CPOUASUBLRMPDT-UHFFFAOYSA-N 1 2 361.511 2.526 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000559399480 517234582 /nfs/dbraw/zinc/23/45/82/517234582.db2.gz FWEHGZRMMHCCMI-UHFFFAOYSA-N 1 2 357.479 2.922 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000559399480 517234593 /nfs/dbraw/zinc/23/45/93/517234593.db2.gz FWEHGZRMMHCCMI-UHFFFAOYSA-N 1 2 357.479 2.922 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(Cl)c(C#N)c3)c[nH+]2)CCO1 ZINC000537586468 517245598 /nfs/dbraw/zinc/24/55/98/517245598.db2.gz JIVCROFAOUYCJN-CYBMUJFWSA-N 1 2 370.840 2.762 20 30 FFEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000533024325 517257951 /nfs/dbraw/zinc/25/79/51/517257951.db2.gz VLVPUYGUBKFHLX-CRAIPNDOSA-N 1 2 357.454 2.528 20 30 FFEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000533024325 517257961 /nfs/dbraw/zinc/25/79/61/517257961.db2.gz VLVPUYGUBKFHLX-CRAIPNDOSA-N 1 2 357.454 2.528 20 30 FFEDLO CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1 ZINC000545505567 517270881 /nfs/dbraw/zinc/27/08/81/517270881.db2.gz RGVDYPMIJSMBSK-MRXNPFEDSA-N 1 2 363.465 2.665 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)c1 ZINC000556179824 517304248 /nfs/dbraw/zinc/30/42/48/517304248.db2.gz PZLLKRWXZNYRSV-SFHVURJKSA-N 1 2 372.419 2.935 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000533434865 517462792 /nfs/dbraw/zinc/46/27/92/517462792.db2.gz CWPJQUXJTXSEEA-PKOBYXMFSA-N 1 2 355.482 2.703 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000533434865 517462799 /nfs/dbraw/zinc/46/27/99/517462799.db2.gz CWPJQUXJTXSEEA-PKOBYXMFSA-N 1 2 355.482 2.703 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549408880 517550441 /nfs/dbraw/zinc/55/04/41/517550441.db2.gz OPYHYHPDRPONMF-KBPBESRZSA-N 1 2 367.396 2.644 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549408880 517550447 /nfs/dbraw/zinc/55/04/47/517550447.db2.gz OPYHYHPDRPONMF-KBPBESRZSA-N 1 2 367.396 2.644 20 30 FFEDLO C=C(C)[C@@H](CC(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)OCC ZINC000533720733 517584937 /nfs/dbraw/zinc/58/49/37/517584937.db2.gz MCPNKQZKCUPJID-QGZVFWFLSA-N 1 2 358.442 2.709 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1C#N ZINC000533776745 517607650 /nfs/dbraw/zinc/60/76/50/517607650.db2.gz XPLALSBMSKZLGO-UHFFFAOYSA-N 1 2 353.397 2.806 20 30 FFEDLO Cn1c[nH+]cc1CCC(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000530299780 517691158 /nfs/dbraw/zinc/69/11/58/517691158.db2.gz DOFRRJGNLMXNBD-CQSZACIVSA-N 1 2 352.316 2.632 20 30 FFEDLO Cc1oc(NC(=O)CN2CCC(Nc3cccc[nH+]3)CC2)c(C#N)c1C ZINC000534123011 517750184 /nfs/dbraw/zinc/75/01/84/517750184.db2.gz BPLUXODWZCMRSS-UHFFFAOYSA-N 1 2 353.426 2.678 20 30 FFEDLO CCC[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000553515238 517757119 /nfs/dbraw/zinc/75/71/19/517757119.db2.gz KZCRXYNMFYLNSF-KRWDZBQOSA-N 1 2 373.478 2.826 20 30 FFEDLO CCC[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000553515238 517757128 /nfs/dbraw/zinc/75/71/28/517757128.db2.gz KZCRXYNMFYLNSF-KRWDZBQOSA-N 1 2 373.478 2.826 20 30 FFEDLO CN(C)c1ccc(CNc2nc3c(c(C#N)c2C#N)CCCCCC3)c[nH+]1 ZINC000530474078 517796566 /nfs/dbraw/zinc/79/65/66/517796566.db2.gz OPJQKNLWGTVEOB-UHFFFAOYSA-N 1 2 360.465 2.979 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000563349987 517840727 /nfs/dbraw/zinc/84/07/27/517840727.db2.gz KEIWBJPTYMMGTH-GOSISDBHSA-N 1 2 350.422 2.873 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000563349987 517840740 /nfs/dbraw/zinc/84/07/40/517840740.db2.gz KEIWBJPTYMMGTH-GOSISDBHSA-N 1 2 350.422 2.873 20 30 FFEDLO Cn1ccnc1C[NH+]1CCC(C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000553944141 517984182 /nfs/dbraw/zinc/98/41/82/517984182.db2.gz FBZSDJMEJLCUBG-UHFFFAOYSA-N 1 2 369.444 2.718 20 30 FFEDLO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c2[nH+]ccn21 ZINC000563680960 518064256 /nfs/dbraw/zinc/06/42/56/518064256.db2.gz HVHDJRBYZXLAFS-JOYOIKCWSA-N 1 2 370.356 2.758 20 30 FFEDLO CC[C@@](C)(C#N)NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000563743739 518102586 /nfs/dbraw/zinc/10/25/86/518102586.db2.gz NEJXEIDDWBWWGU-FQEVSTJZSA-N 1 2 352.438 2.965 20 30 FFEDLO COc1cc(C#N)ccc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000547415457 518128930 /nfs/dbraw/zinc/12/89/30/518128930.db2.gz DCFMHHCSRJCOGU-UHFFFAOYSA-N 1 2 356.451 2.978 20 30 FFEDLO CCN(CCOC)c1cccc(CN2CCC[C@]3(CCCCO3)[C@H]2C#N)[nH+]1 ZINC000581457911 518293492 /nfs/dbraw/zinc/29/34/92/518293492.db2.gz RUDRYKQRWCSEQO-TZIWHRDSSA-N 1 2 372.513 2.982 20 30 FFEDLO C=C(C)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000564148893 518324063 /nfs/dbraw/zinc/32/40/63/518324063.db2.gz WQGKJTPZQNHLKP-UHFFFAOYSA-N 1 2 355.463 2.805 20 30 FFEDLO C=C(C)C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000564148893 518324066 /nfs/dbraw/zinc/32/40/66/518324066.db2.gz WQGKJTPZQNHLKP-UHFFFAOYSA-N 1 2 355.463 2.805 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CCCCC1 ZINC000581529600 518329355 /nfs/dbraw/zinc/32/93/55/518329355.db2.gz POLUGQCIUNRBFP-INIZCTEOSA-N 1 2 358.486 2.554 20 30 FFEDLO COc1ccc(OC(F)F)c(C[NH+]2CCN(c3cnccc3C#N)CC2)c1 ZINC000567055452 518330701 /nfs/dbraw/zinc/33/07/01/518330701.db2.gz OTYTYNMMHHNBBV-UHFFFAOYSA-N 1 2 374.391 2.885 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ccn4cc[nH+]c4c3)C2=O)cc1 ZINC000564421134 518443979 /nfs/dbraw/zinc/44/39/79/518443979.db2.gz FLHFTPQTHCDDJK-QGZVFWFLSA-N 1 2 374.404 2.523 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2cccc(O)c2Br)CC1 ZINC000579083613 518512148 /nfs/dbraw/zinc/51/21/48/518512148.db2.gz WGHINFICQRVFRQ-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO Cn1cc[nH+]c1[C@H](CC(=O)NCc1ccc(CC#N)cc1)C(F)(F)F ZINC000582191422 518631433 /nfs/dbraw/zinc/63/14/33/518631433.db2.gz XFBCAMRNYHKWLM-AWEZNQCLSA-N 1 2 350.344 2.839 20 30 FFEDLO CC(C)(CNc1cc(Br)c(C#N)cc1F)[NH+]1CCOCC1 ZINC000579339216 518632999 /nfs/dbraw/zinc/63/29/99/518632999.db2.gz NZFHIBMVKGYAIA-UHFFFAOYSA-N 1 2 356.239 2.983 20 30 FFEDLO Cc1cc(CCC(=O)N[C@](C)(C#N)C[NH+](C)C)ccc1Br ZINC000573614760 518752503 /nfs/dbraw/zinc/75/25/03/518752503.db2.gz OLYYTGXIAUHWMJ-MRXNPFEDSA-N 1 2 352.276 2.650 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000579718656 518819816 /nfs/dbraw/zinc/81/98/16/518819816.db2.gz KRSZIDMLKRQFNL-OAQYLSRUSA-N 1 2 362.433 2.711 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000571020607 518888368 /nfs/dbraw/zinc/88/83/68/518888368.db2.gz OSVDWUMMWJRIIW-UXHICEINSA-N 1 2 373.497 2.646 20 30 FFEDLO Cc1cc2[nH+]cn(C[C@@H](O)CSCc3ncc(C#N)cn3)c2cc1C ZINC000577165262 518944610 /nfs/dbraw/zinc/94/46/10/518944610.db2.gz HGSHKMVPJRJDFU-OAHLLOKOSA-N 1 2 353.451 2.609 20 30 FFEDLO N#Cc1ccc(C2(c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)CC2)cc1 ZINC000582872582 518961919 /nfs/dbraw/zinc/96/19/19/518961919.db2.gz GIVFSFLPXOXSLY-DLBZAZTESA-N 1 2 350.422 2.947 20 30 FFEDLO N#Cc1ccc(C2(c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)CC2)cc1 ZINC000582872582 518961923 /nfs/dbraw/zinc/96/19/23/518961923.db2.gz GIVFSFLPXOXSLY-DLBZAZTESA-N 1 2 350.422 2.947 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(C#N)n1)c1ccc(Cl)cc1 ZINC000589272485 518969895 /nfs/dbraw/zinc/96/98/95/518969895.db2.gz HEEDOYVXTNGMRX-INIZCTEOSA-N 1 2 351.797 2.860 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000580064174 518988770 /nfs/dbraw/zinc/98/87/70/518988770.db2.gz OIJDZBXGYXZRGC-FGTMMUONSA-N 1 2 355.438 2.616 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1OC ZINC000568354428 518995122 /nfs/dbraw/zinc/99/51/22/518995122.db2.gz ULVFHLPCVJAXPX-IBGZPJMESA-N 1 2 365.495 2.661 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1OC ZINC000568354428 518995130 /nfs/dbraw/zinc/99/51/30/518995130.db2.gz ULVFHLPCVJAXPX-IBGZPJMESA-N 1 2 365.495 2.661 20 30 FFEDLO N#Cc1c(NCc2ccc(N3CCOCC3)[nH+]c2)cccc1-n1cccn1 ZINC000583153897 519103257 /nfs/dbraw/zinc/10/32/57/519103257.db2.gz VDRHRLOEXBTQAH-UHFFFAOYSA-N 1 2 360.421 2.588 20 30 FFEDLO CC(C)n1ncc2cc(C[NH+]3CCN(c4cnccc4C#N)CC3)cnc21 ZINC000590013621 519129476 /nfs/dbraw/zinc/12/94/76/519129476.db2.gz OMMAVWYULFOFIH-UHFFFAOYSA-N 1 2 361.453 2.601 20 30 FFEDLO N#Cc1ccc(CS(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cc1 ZINC000565797078 519137271 /nfs/dbraw/zinc/13/72/71/519137271.db2.gz JADURVXZFQFBNV-UHFFFAOYSA-N 1 2 352.419 2.568 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000580370539 519139194 /nfs/dbraw/zinc/13/91/94/519139194.db2.gz MVRPZNRGVLEOSS-PKOBYXMFSA-N 1 2 352.425 2.887 20 30 FFEDLO COc1ccc(F)c(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000590347590 519204284 /nfs/dbraw/zinc/20/42/84/519204284.db2.gz AZCBIFOLHBLRMJ-UHFFFAOYSA-N 1 2 356.401 2.894 20 30 FFEDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1cc(Br)c(C#N)cc1F ZINC000565962813 519218273 /nfs/dbraw/zinc/21/82/73/519218273.db2.gz WFVDWVUMMDVSTL-LLVKDONJSA-N 1 2 355.255 2.508 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000583548351 519304648 /nfs/dbraw/zinc/30/46/48/519304648.db2.gz GOLWETNBJQMEBT-JQHSSLGASA-N 1 2 358.486 2.842 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000566144635 519331287 /nfs/dbraw/zinc/33/12/87/519331287.db2.gz RUGMMUWXRTWCAP-AYBZRNKSSA-N 1 2 359.470 2.792 20 30 FFEDLO CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000569107219 519381386 /nfs/dbraw/zinc/38/13/86/519381386.db2.gz XFZCVKOHMZXFBO-WMLDXEAASA-N 1 2 366.303 2.978 20 30 FFEDLO C=CCC[C@@H](NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000572032543 519410152 /nfs/dbraw/zinc/41/01/52/519410152.db2.gz CDNIXOMIEVGDAA-QZTJIDSGSA-N 1 2 366.465 2.560 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCCc1cccc(C#N)c1)c1ccccc1 ZINC000574934769 519411737 /nfs/dbraw/zinc/41/17/37/519411737.db2.gz GCOCMIJWXMCLSE-LJQANCHMSA-N 1 2 359.433 2.923 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1Nc1nc(N[C@@H]2CCO[C@H]2C=C)c2ccccc2[nH+]1 ZINC000574957536 519421138 /nfs/dbraw/zinc/42/11/38/519421138.db2.gz BRUCKAYHCDVWLT-BDXSIMOUSA-N 1 2 352.438 2.563 20 30 FFEDLO Cc1nnc([C@@H]2CC[N@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)[nH]1 ZINC000578118735 519428179 /nfs/dbraw/zinc/42/81/79/519428179.db2.gz HKLKNTMRVHVKDG-CQSZACIVSA-N 1 2 372.860 2.503 20 30 FFEDLO Cc1nnc([C@@H]2CC[N@@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)[nH]1 ZINC000578118735 519428183 /nfs/dbraw/zinc/42/81/83/519428183.db2.gz HKLKNTMRVHVKDG-CQSZACIVSA-N 1 2 372.860 2.503 20 30 FFEDLO Cc1n[nH]c([C@@H]2CC[N@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)n1 ZINC000578118735 519428188 /nfs/dbraw/zinc/42/81/88/519428188.db2.gz HKLKNTMRVHVKDG-CQSZACIVSA-N 1 2 372.860 2.503 20 30 FFEDLO Cc1n[nH]c([C@@H]2CC[N@@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)n1 ZINC000578118735 519428193 /nfs/dbraw/zinc/42/81/93/519428193.db2.gz HKLKNTMRVHVKDG-CQSZACIVSA-N 1 2 372.860 2.503 20 30 FFEDLO Cc1nc([C@@H]2CC[N@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)n[nH]1 ZINC000578118735 519428197 /nfs/dbraw/zinc/42/81/97/519428197.db2.gz HKLKNTMRVHVKDG-CQSZACIVSA-N 1 2 372.860 2.503 20 30 FFEDLO Cc1nc([C@@H]2CC[N@@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)n[nH]1 ZINC000578118735 519428202 /nfs/dbraw/zinc/42/82/02/519428202.db2.gz HKLKNTMRVHVKDG-CQSZACIVSA-N 1 2 372.860 2.503 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(-c2cnc3ccccc3n2)cc1 ZINC000574971589 519429810 /nfs/dbraw/zinc/42/98/10/519429810.db2.gz LLWUEVGNCIZIJG-QGZVFWFLSA-N 1 2 362.433 2.882 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(-c2cnc3ccccc3n2)cc1 ZINC000574971589 519429816 /nfs/dbraw/zinc/42/98/16/519429816.db2.gz LLWUEVGNCIZIJG-QGZVFWFLSA-N 1 2 362.433 2.882 20 30 FFEDLO Cc1cc(C(=O)N2CC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)[C@H](C)C2)[nH]n1 ZINC000590967134 519463445 /nfs/dbraw/zinc/46/34/45/519463445.db2.gz CFFWOOYFVPUALN-MRXNPFEDSA-N 1 2 365.481 2.866 20 30 FFEDLO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)[C@H](C)C2)[nH]n1 ZINC000590967134 519463451 /nfs/dbraw/zinc/46/34/51/519463451.db2.gz CFFWOOYFVPUALN-MRXNPFEDSA-N 1 2 365.481 2.866 20 30 FFEDLO Cc1cc(C(=O)N2CC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)[C@H](C)C2)n[nH]1 ZINC000590967134 519463460 /nfs/dbraw/zinc/46/34/60/519463460.db2.gz CFFWOOYFVPUALN-MRXNPFEDSA-N 1 2 365.481 2.866 20 30 FFEDLO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)[C@H](C)C2)n[nH]1 ZINC000590967134 519463464 /nfs/dbraw/zinc/46/34/64/519463464.db2.gz CFFWOOYFVPUALN-MRXNPFEDSA-N 1 2 365.481 2.866 20 30 FFEDLO Cc1c(NC[C@@H](O)C[N@H+](C)CCC#N)cccc1NC(=O)c1ccccc1 ZINC000578187664 519464108 /nfs/dbraw/zinc/46/41/08/519464108.db2.gz PAOWGHOLRYFCNI-GOSISDBHSA-N 1 2 366.465 2.866 20 30 FFEDLO Cc1c(NC[C@@H](O)C[N@@H+](C)CCC#N)cccc1NC(=O)c1ccccc1 ZINC000578187664 519464114 /nfs/dbraw/zinc/46/41/14/519464114.db2.gz PAOWGHOLRYFCNI-GOSISDBHSA-N 1 2 366.465 2.866 20 30 FFEDLO C=CC[C@H]1N(C(=O)C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CCCC1(C)C ZINC000572200174 519491236 /nfs/dbraw/zinc/49/12/36/519491236.db2.gz LSHLZAULTGECRM-IAGOWNOFSA-N 1 2 372.513 2.778 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N3CCc4ccccc4C3)CC2)cc1 ZINC000581111710 519526645 /nfs/dbraw/zinc/52/66/45/519526645.db2.gz GJHXFWFUEXDWCP-UHFFFAOYSA-N 1 2 360.461 2.854 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000569460401 519562895 /nfs/dbraw/zinc/56/28/95/519562895.db2.gz FJULQEAZUIRXDG-QFIPXVFZSA-N 1 2 362.477 2.823 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](c3cccnc3)C2)C1=O ZINC000602854117 519925986 /nfs/dbraw/zinc/92/59/86/519925986.db2.gz NBLURIZCKPPQAS-IRXDYDNUSA-N 1 2 352.463 3.000 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](c3cccnc3)C2)C1=O ZINC000602854117 519925992 /nfs/dbraw/zinc/92/59/92/519925992.db2.gz NBLURIZCKPPQAS-IRXDYDNUSA-N 1 2 352.463 3.000 20 30 FFEDLO Cn1cc(C2=CCC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)cn1 ZINC000602888883 519950492 /nfs/dbraw/zinc/95/04/92/519950492.db2.gz TZZGZKGWQWTKPW-UHFFFAOYSA-N 1 2 355.829 2.673 20 30 FFEDLO Cn1cc(C2=CCC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)cn1 ZINC000602888883 519950501 /nfs/dbraw/zinc/95/05/01/519950501.db2.gz TZZGZKGWQWTKPW-UHFFFAOYSA-N 1 2 355.829 2.673 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3ccc(F)cn3)CC2)cc1 ZINC000602902940 519961757 /nfs/dbraw/zinc/96/17/57/519961757.db2.gz HABHHNHHGXYROV-UHFFFAOYSA-N 1 2 373.453 2.746 20 30 FFEDLO N#Cc1ccc(C2CC[NH+](Cc3nc(CC(F)(F)F)no3)CC2)nc1 ZINC000602910482 519966525 /nfs/dbraw/zinc/96/65/25/519966525.db2.gz SXFMFUNKJXNFNC-UHFFFAOYSA-N 1 2 351.332 2.821 20 30 FFEDLO C[C@@H]1CN(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)C[C@@H](C)N1CC#N ZINC000603020353 520026005 /nfs/dbraw/zinc/02/60/05/520026005.db2.gz GCZSNOGTFPMJCL-HUUCEWRRSA-N 1 2 366.469 2.751 20 30 FFEDLO Cc1nn(-c2ccccc2Br)cc1C[NH+]1CCN(CC#N)CC1 ZINC000594599573 520046281 /nfs/dbraw/zinc/04/62/81/520046281.db2.gz BJEFXZYLBLWGEI-UHFFFAOYSA-N 1 2 374.286 2.584 20 30 FFEDLO Cc1cc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ncc1C#N ZINC000603116009 520089374 /nfs/dbraw/zinc/08/93/74/520089374.db2.gz UDIUWIYNBNUMBQ-OAHLLOKOSA-N 1 2 364.453 2.628 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000594745556 520130052 /nfs/dbraw/zinc/13/00/52/520130052.db2.gz VSLSLHQMRJMWAN-UHFFFAOYSA-N 1 2 360.464 2.636 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1Cl ZINC000608909097 520161676 /nfs/dbraw/zinc/16/16/76/520161676.db2.gz RWBMOOAKXFUAAH-UHFFFAOYSA-N 1 2 359.798 2.593 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3ccn(-c4cccc(F)c4)n3)CC2)n1 ZINC000612830668 520173276 /nfs/dbraw/zinc/17/32/76/520173276.db2.gz ZKIHXWUBYDNCRF-UHFFFAOYSA-N 1 2 362.412 2.600 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000592148843 520225552 /nfs/dbraw/zinc/22/55/52/520225552.db2.gz CVGSJAQEXTYWPT-CQSZACIVSA-N 1 2 361.751 2.648 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000592148843 520225557 /nfs/dbraw/zinc/22/55/57/520225557.db2.gz CVGSJAQEXTYWPT-CQSZACIVSA-N 1 2 361.751 2.648 20 30 FFEDLO Cc1cc[nH+]cc1N1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000603367599 520235381 /nfs/dbraw/zinc/23/53/81/520235381.db2.gz QHOHXNHLXYBCKA-UHFFFAOYSA-N 1 2 358.243 2.746 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000603591276 520318901 /nfs/dbraw/zinc/31/89/01/520318901.db2.gz NLPYPLBSLSTMGT-UHFFFAOYSA-N 1 2 366.421 2.532 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C(C)C)CC1 ZINC000609484325 520328135 /nfs/dbraw/zinc/32/81/35/520328135.db2.gz AKMQBIXJSAMMRI-PZJWPPBQSA-N 1 2 356.514 2.666 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000609485678 520328510 /nfs/dbraw/zinc/32/85/10/520328510.db2.gz UZWOZEVUBKQXBT-QAPCUYQASA-N 1 2 362.905 2.683 20 30 FFEDLO CCOc1c(Br)cc(C[N@H+]2CC[C@](O)(CC#N)C2)cc1OC ZINC000592523439 520437772 /nfs/dbraw/zinc/43/77/72/520437772.db2.gz LPZMKBHUTBPKIB-MRXNPFEDSA-N 1 2 369.259 2.707 20 30 FFEDLO CCOc1c(Br)cc(C[N@@H+]2CC[C@](O)(CC#N)C2)cc1OC ZINC000592523439 520437764 /nfs/dbraw/zinc/43/77/64/520437764.db2.gz LPZMKBHUTBPKIB-MRXNPFEDSA-N 1 2 369.259 2.707 20 30 FFEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3ncc[nH]3)sc2C1 ZINC000595398773 520448354 /nfs/dbraw/zinc/44/83/54/520448354.db2.gz AURSJCGWOQGYDT-LBPRGKRZSA-N 1 2 357.483 2.928 20 30 FFEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3ncc[nH]3)sc2C1 ZINC000595398773 520448360 /nfs/dbraw/zinc/44/83/60/520448360.db2.gz AURSJCGWOQGYDT-LBPRGKRZSA-N 1 2 357.483 2.928 20 30 FFEDLO Cn1c[nH+]c(CN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)c1 ZINC000595407351 520450198 /nfs/dbraw/zinc/45/01/98/520450198.db2.gz MRTZRWFZHXJENC-QGZVFWFLSA-N 1 2 374.286 2.565 20 30 FFEDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000609895188 520473185 /nfs/dbraw/zinc/47/31/85/520473185.db2.gz RZYFIBDARMCJRM-INIZCTEOSA-N 1 2 357.435 2.794 20 30 FFEDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000609895188 520473193 /nfs/dbraw/zinc/47/31/93/520473193.db2.gz RZYFIBDARMCJRM-INIZCTEOSA-N 1 2 357.435 2.794 20 30 FFEDLO Cn1cc[nH+]c1CN1CCC[C@H](Nc2nc(C(C)(C)C)ccc2C#N)C1=O ZINC000613429205 520498872 /nfs/dbraw/zinc/49/88/72/520498872.db2.gz NLOQGVJMGSMDMA-HNNXBMFYSA-N 1 2 366.469 2.587 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccccc1OCc1ccccc1 ZINC000604438892 520563896 /nfs/dbraw/zinc/56/38/96/520563896.db2.gz APXMWXXMOYNSAV-UHFFFAOYSA-N 1 2 367.449 2.709 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccccc1OCc1ccccc1 ZINC000604438892 520563901 /nfs/dbraw/zinc/56/39/01/520563901.db2.gz APXMWXXMOYNSAV-UHFFFAOYSA-N 1 2 367.449 2.709 20 30 FFEDLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1NC1CCN(CC#N)CC1 ZINC000610160180 520564016 /nfs/dbraw/zinc/56/40/16/520564016.db2.gz HTHOTPKIJIREEG-UHFFFAOYSA-N 1 2 366.465 2.850 20 30 FFEDLO N#Cc1sccc1N1CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000595629494 520605275 /nfs/dbraw/zinc/60/52/75/520605275.db2.gz DOMLMTKHMJNIEM-QGZVFWFLSA-N 1 2 352.463 2.695 20 30 FFEDLO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595629956 520605928 /nfs/dbraw/zinc/60/59/28/520605928.db2.gz BCDVZASBIPXNGL-HOTGVXAUSA-N 1 2 360.527 2.779 20 30 FFEDLO C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632671 520609236 /nfs/dbraw/zinc/60/92/36/520609236.db2.gz OSSQTNDZZCZBNS-HNNXBMFYSA-N 1 2 360.527 2.827 20 30 FFEDLO C=CC[C@@H]1CCC[N@@H+](Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)C1 ZINC000595660474 520628471 /nfs/dbraw/zinc/62/84/71/520628471.db2.gz RJHIBXBQFDLZGC-GFCCVEGCSA-N 1 2 361.467 2.868 20 30 FFEDLO C=CC[C@@H]1CCC[N@H+](Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)C1 ZINC000595660474 520628479 /nfs/dbraw/zinc/62/84/79/520628479.db2.gz RJHIBXBQFDLZGC-GFCCVEGCSA-N 1 2 361.467 2.868 20 30 FFEDLO Cc1cn2ccc(NC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)cc2[nH+]1 ZINC000598468542 520631647 /nfs/dbraw/zinc/63/16/47/520631647.db2.gz HTYPDGUBNCCZDB-UHFFFAOYSA-N 1 2 373.420 2.745 20 30 FFEDLO C[C@]1(c2cccc(F)c2)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000593041266 520701769 /nfs/dbraw/zinc/70/17/69/520701769.db2.gz PEOWAWWYHMDTFU-IBGZPJMESA-N 1 2 373.453 2.530 20 30 FFEDLO C[C@]1(c2cccc(F)c2)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000593041266 520701774 /nfs/dbraw/zinc/70/17/74/520701774.db2.gz PEOWAWWYHMDTFU-IBGZPJMESA-N 1 2 373.453 2.530 20 30 FFEDLO C=CC[C@@H]1CCCN(C(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000617782259 520716271 /nfs/dbraw/zinc/71/62/71/520716271.db2.gz BHJWHDOCCWKGRO-MRXNPFEDSA-N 1 2 358.482 2.877 20 30 FFEDLO C=CC[C@@H]1CCCN(C(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000617782259 520716277 /nfs/dbraw/zinc/71/62/77/520716277.db2.gz BHJWHDOCCWKGRO-MRXNPFEDSA-N 1 2 358.482 2.877 20 30 FFEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000598612743 520742339 /nfs/dbraw/zinc/74/23/39/520742339.db2.gz AJWHUQFDIWTJJQ-CQSZACIVSA-N 1 2 353.260 2.944 20 30 FFEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000598612743 520742341 /nfs/dbraw/zinc/74/23/41/520742341.db2.gz AJWHUQFDIWTJJQ-CQSZACIVSA-N 1 2 353.260 2.944 20 30 FFEDLO Cc1nccc([C@H]2CCC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000610581023 520748299 /nfs/dbraw/zinc/74/82/99/520748299.db2.gz XZIQBWOHBIVONU-RDJZCZTQSA-N 1 2 367.478 2.703 20 30 FFEDLO Cc1nccc([C@H]2CCC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000610581023 520748304 /nfs/dbraw/zinc/74/83/04/520748304.db2.gz XZIQBWOHBIVONU-RDJZCZTQSA-N 1 2 367.478 2.703 20 30 FFEDLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595836275 520757017 /nfs/dbraw/zinc/75/70/17/520757017.db2.gz WXVYTMNKAKLVNI-MRXNPFEDSA-N 1 2 350.260 2.643 20 30 FFEDLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595836275 520757021 /nfs/dbraw/zinc/75/70/21/520757021.db2.gz WXVYTMNKAKLVNI-MRXNPFEDSA-N 1 2 350.260 2.643 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000610843462 520867561 /nfs/dbraw/zinc/86/75/61/520867561.db2.gz ROIFPKDDDZARFY-HNNXBMFYSA-N 1 2 356.392 2.688 20 30 FFEDLO N#CC1(Cc2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)CCOCC1 ZINC000596045520 520875583 /nfs/dbraw/zinc/87/55/83/520875583.db2.gz DNMKFFOPQJASEF-QGZVFWFLSA-N 1 2 368.437 2.506 20 30 FFEDLO N#CC1(Cc2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)CCOCC1 ZINC000596045520 520875592 /nfs/dbraw/zinc/87/55/92/520875592.db2.gz DNMKFFOPQJASEF-QGZVFWFLSA-N 1 2 368.437 2.506 20 30 FFEDLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(O)cc(C#N)c2)cc1F ZINC000614298153 520897006 /nfs/dbraw/zinc/89/70/06/520897006.db2.gz NRHJMCQOVFQFJF-UHFFFAOYSA-N 1 2 350.353 2.827 20 30 FFEDLO Cc1ccc([C@@H](CNc2nc(C#N)c(Cl)s2)[NH+]2CCOCC2)cc1 ZINC000596085026 520902687 /nfs/dbraw/zinc/90/26/87/520902687.db2.gz GFWASMGEDGIIMX-OAHLLOKOSA-N 1 2 362.886 2.884 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000610944872 520913010 /nfs/dbraw/zinc/91/30/10/520913010.db2.gz GDJVXUNVLKPDBI-KGLIPLIRSA-N 1 2 369.494 2.969 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000610944872 520913020 /nfs/dbraw/zinc/91/30/20/520913020.db2.gz GDJVXUNVLKPDBI-KGLIPLIRSA-N 1 2 369.494 2.969 20 30 FFEDLO N#CC1(c2ccc(C(=O)N3CC[NH+](Cc4ccc(O)cc4)CC3)cc2)CC1 ZINC000601730905 520922489 /nfs/dbraw/zinc/92/24/89/520922489.db2.gz YSCOBNAQEVDFBK-UHFFFAOYSA-N 1 2 361.445 2.905 20 30 FFEDLO Cc1ccc(C#N)nc1N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000596122663 520925120 /nfs/dbraw/zinc/92/51/20/520925120.db2.gz AIJSPDGKUVELEC-SFHVURJKSA-N 1 2 356.857 2.771 20 30 FFEDLO CC(C)(C)OC(=O)C1([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCCC1 ZINC000610988557 520931263 /nfs/dbraw/zinc/93/12/63/520931263.db2.gz FXWUFMYCUZZDAG-KRWDZBQOSA-N 1 2 374.481 2.736 20 30 FFEDLO C[C@@H]1C(=O)Nc2ccccc2C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000598950444 520938694 /nfs/dbraw/zinc/93/86/94/520938694.db2.gz QKFRCDQFOPPNBX-GFCCVEGCSA-N 1 2 354.435 2.791 20 30 FFEDLO C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000598950444 520938702 /nfs/dbraw/zinc/93/87/02/520938702.db2.gz QKFRCDQFOPPNBX-GFCCVEGCSA-N 1 2 354.435 2.791 20 30 FFEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C#N)c1ccc(Br)cc1)CC2 ZINC000599013755 520979122 /nfs/dbraw/zinc/97/91/22/520979122.db2.gz MNUMUJULJGGHBP-HIFRSBDPSA-N 1 2 373.254 2.898 20 30 FFEDLO CC(C)[C@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)[NH+]1CCOCC1 ZINC000611092917 520980826 /nfs/dbraw/zinc/98/08/26/520980826.db2.gz MCCFGOQLLBQLTL-HNNXBMFYSA-N 1 2 370.280 2.952 20 30 FFEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)NCC2(C#N)CCCC2)CC1 ZINC000593425342 520987118 /nfs/dbraw/zinc/98/71/18/520987118.db2.gz FJLMNYOZLYKLGX-UHFFFAOYSA-N 1 2 370.497 2.915 20 30 FFEDLO N#Cc1cccc(OC2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC2)c1 ZINC000593450564 521000833 /nfs/dbraw/zinc/00/08/33/521000833.db2.gz NXVZYSNEXFBERM-UHFFFAOYSA-N 1 2 364.449 2.704 20 30 FFEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1)c1ccc2ccccc2c1 ZINC000611174133 521023009 /nfs/dbraw/zinc/02/30/09/521023009.db2.gz DXVVGDZSDNCNAI-ROUUACIJSA-N 1 2 364.493 2.937 20 30 FFEDLO CC(C)(C)C[C@@H](NC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccc(F)cc1 ZINC000611176104 521025972 /nfs/dbraw/zinc/02/59/72/521025972.db2.gz UKUDLQPUSDBLBE-LJQANCHMSA-N 1 2 374.504 2.950 20 30 FFEDLO N#Cc1c(F)cccc1C[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000602009870 521074491 /nfs/dbraw/zinc/07/44/91/521074491.db2.gz YIHQYLZXZVXNFC-SFHVURJKSA-N 1 2 367.424 2.896 20 30 FFEDLO CC(C)C[C@H](C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1)n1cc[nH+]c1 ZINC000602039605 521095062 /nfs/dbraw/zinc/09/50/62/521095062.db2.gz FTYFFXNZIGWCHX-UXHICEINSA-N 1 2 365.481 2.879 20 30 FFEDLO Cc1cn2ccc(C(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)cc2[nH+]1 ZINC000602043621 521097276 /nfs/dbraw/zinc/09/72/76/521097276.db2.gz RRVDMXCBTADSNZ-LJQANCHMSA-N 1 2 359.433 2.665 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1C#N ZINC000599270217 521121961 /nfs/dbraw/zinc/12/19/61/521121961.db2.gz CSYVKSYXPNRJIU-UHFFFAOYSA-N 1 2 369.490 2.763 20 30 FFEDLO Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1C#N ZINC000599270217 521121968 /nfs/dbraw/zinc/12/19/68/521121968.db2.gz CSYVKSYXPNRJIU-UHFFFAOYSA-N 1 2 369.490 2.763 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NS(=O)(=O)CC(C)(C)CC#N ZINC000593645492 521128859 /nfs/dbraw/zinc/12/88/59/521128859.db2.gz MNJADNLMNAIJNH-MRXNPFEDSA-N 1 2 360.483 2.563 20 30 FFEDLO COCCN(C(C)=O)c1nc(C[NH2+][C@H](C)c2cccc(C#N)c2)cs1 ZINC000611387779 521132470 /nfs/dbraw/zinc/13/24/70/521132470.db2.gz SREGOZIVOCCUHQ-CYBMUJFWSA-N 1 2 358.467 2.865 20 30 FFEDLO COc1ccc([C@H](CNc2nc(C#N)ccc2C)[NH+]2CCOCC2)cc1 ZINC000611399011 521136642 /nfs/dbraw/zinc/13/66/42/521136642.db2.gz HKESPYFXPHACQJ-IBGZPJMESA-N 1 2 352.438 2.756 20 30 FFEDLO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000611431985 521151701 /nfs/dbraw/zinc/15/17/01/521151701.db2.gz FYLZERSJHHRGOZ-ICSRJNTNSA-N 1 2 356.514 2.589 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)cc1C#N ZINC000599339460 521163772 /nfs/dbraw/zinc/16/37/72/521163772.db2.gz PDCDOCIPOHQGPL-UHFFFAOYSA-N 1 2 355.463 2.649 20 30 FFEDLO Cc1ccc(C[N@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)cc1C#N ZINC000599339460 521163779 /nfs/dbraw/zinc/16/37/79/521163779.db2.gz PDCDOCIPOHQGPL-UHFFFAOYSA-N 1 2 355.463 2.649 20 30 FFEDLO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1noc(-c2ccccc2)n1 ZINC000599361354 521174400 /nfs/dbraw/zinc/17/44/00/521174400.db2.gz CUMSIAPZJMVFSK-RHSMWYFYSA-N 1 2 364.405 2.699 20 30 FFEDLO Cc1cc2c(ncnc2N2CC[NH+](Cc3ccnc(C#N)c3)CC2)s1 ZINC000614917707 521193032 /nfs/dbraw/zinc/19/30/32/521193032.db2.gz ZWSVOGJRCAJWGM-UHFFFAOYSA-N 1 2 350.451 2.589 20 30 FFEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000614970286 521216052 /nfs/dbraw/zinc/21/60/52/521216052.db2.gz WGWVCXYNTDQWNZ-LJQANCHMSA-N 1 2 368.481 2.815 20 30 FFEDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000611555224 521218034 /nfs/dbraw/zinc/21/80/34/521218034.db2.gz SFDYXOXUIDBJRP-JSGCOSHPSA-N 1 2 360.401 2.995 20 30 FFEDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000611555224 521218041 /nfs/dbraw/zinc/21/80/41/521218041.db2.gz SFDYXOXUIDBJRP-JSGCOSHPSA-N 1 2 360.401 2.995 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000596699990 521232271 /nfs/dbraw/zinc/23/22/71/521232271.db2.gz VZSGWGIZADNAPM-CABCVRRESA-N 1 2 360.458 2.576 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000596699990 521232281 /nfs/dbraw/zinc/23/22/81/521232281.db2.gz VZSGWGIZADNAPM-CABCVRRESA-N 1 2 360.458 2.576 20 30 FFEDLO N#CC1(NC(=O)C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CCC1 ZINC000615224045 521320776 /nfs/dbraw/zinc/32/07/76/521320776.db2.gz ZXCZEGATEYNBAP-AOOOYVTPSA-N 1 2 357.298 2.612 20 30 FFEDLO N#CC1(NC(=O)C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CCC1 ZINC000615224045 521320786 /nfs/dbraw/zinc/32/07/86/521320786.db2.gz ZXCZEGATEYNBAP-AOOOYVTPSA-N 1 2 357.298 2.612 20 30 FFEDLO Cc1cc(S(=O)(=O)N2CC[NH+](C[C@@H](C)CCC#N)CC2)c(C)s1 ZINC000602450293 521354128 /nfs/dbraw/zinc/35/41/28/521354128.db2.gz KJSFEORTZPURBK-ZDUSSCGKSA-N 1 2 355.529 2.611 20 30 FFEDLO N#CC1(CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CCOCC1 ZINC000596895281 521363987 /nfs/dbraw/zinc/36/39/87/521363987.db2.gz KSQAHMVIDXIQJH-UHFFFAOYSA-N 1 2 354.410 2.611 20 30 FFEDLO C[C@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678730 521395236 /nfs/dbraw/zinc/39/52/36/521395236.db2.gz LXKLBCKVTYXVMH-LAUBAEHRSA-N 1 2 369.509 2.822 20 30 FFEDLO C[C@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678730 521395241 /nfs/dbraw/zinc/39/52/41/521395241.db2.gz LXKLBCKVTYXVMH-LAUBAEHRSA-N 1 2 369.509 2.822 20 30 FFEDLO CSc1c(F)cccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000596971663 521412849 /nfs/dbraw/zinc/41/28/49/521412849.db2.gz UPIKJDHIKRMEAF-UHFFFAOYSA-N 1 2 366.462 2.627 20 30 FFEDLO C[C@@H](CCC#N)C[N@@H+]1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000602634952 521450042 /nfs/dbraw/zinc/45/00/42/521450042.db2.gz QNQIBDSNOVHOPI-SWLSCSKDSA-N 1 2 355.360 2.998 20 30 FFEDLO C[C@@H](CCC#N)C[N@H+]1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000602634952 521450049 /nfs/dbraw/zinc/45/00/49/521450049.db2.gz QNQIBDSNOVHOPI-SWLSCSKDSA-N 1 2 355.360 2.998 20 30 FFEDLO CCOc1cc(N2CC[NH+](Cc3cccc(C#N)n3)CC2)ccc1[N+](=O)[O-] ZINC000602638590 521452469 /nfs/dbraw/zinc/45/24/69/521452469.db2.gz QRSMGTYDKHFNPB-UHFFFAOYSA-N 1 2 367.409 2.582 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000615682310 521500340 /nfs/dbraw/zinc/50/03/40/521500340.db2.gz WPFUAPBPFJUFHU-OCCSQVGLSA-N 1 2 359.227 2.589 20 30 FFEDLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1)c1ccc2c(c1)OCCO2 ZINC000612162931 521512153 /nfs/dbraw/zinc/51/21/53/521512153.db2.gz RYNYCOCDWHLUOX-AVYPCKFXSA-N 1 2 357.454 2.649 20 30 FFEDLO C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@](C)(C#N)C1)c1ccc2c(c1)OCCO2 ZINC000612162931 521512160 /nfs/dbraw/zinc/51/21/60/521512160.db2.gz RYNYCOCDWHLUOX-AVYPCKFXSA-N 1 2 357.454 2.649 20 30 FFEDLO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162935 521513189 /nfs/dbraw/zinc/51/31/89/521513189.db2.gz RYNYCOCDWHLUOX-BXTJHSDWSA-N 1 2 357.454 2.649 20 30 FFEDLO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612162935 521513196 /nfs/dbraw/zinc/51/31/96/521513196.db2.gz RYNYCOCDWHLUOX-BXTJHSDWSA-N 1 2 357.454 2.649 20 30 FFEDLO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165377 521514147 /nfs/dbraw/zinc/51/41/47/521514147.db2.gz KTYYUIPKZSSWGR-QSCARACZSA-N 1 2 372.513 2.795 20 30 FFEDLO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165377 521514159 /nfs/dbraw/zinc/51/41/59/521514159.db2.gz KTYYUIPKZSSWGR-QSCARACZSA-N 1 2 372.513 2.795 20 30 FFEDLO C[C@@]1(C#N)CCC[N@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000612166427 521514845 /nfs/dbraw/zinc/51/48/45/521514845.db2.gz UHUYPQGTCNUBGE-NRFANRHFSA-N 1 2 355.482 2.820 20 30 FFEDLO C[C@@]1(C#N)CCC[N@@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000612166427 521514852 /nfs/dbraw/zinc/51/48/52/521514852.db2.gz UHUYPQGTCNUBGE-NRFANRHFSA-N 1 2 355.482 2.820 20 30 FFEDLO C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000612267845 521550550 /nfs/dbraw/zinc/55/05/50/521550550.db2.gz IKMHVPHMLWEQCA-FQEVSTJZSA-N 1 2 364.405 2.965 20 30 FFEDLO N#Cc1cc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)ccc1F ZINC000602827824 521557202 /nfs/dbraw/zinc/55/72/02/521557202.db2.gz DMAUNHDZLCDNEY-UHFFFAOYSA-N 1 2 371.441 2.967 20 30 FFEDLO Cc1ccc([C@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)[NH+]2CCOCC2)cc1 ZINC000612358313 521590661 /nfs/dbraw/zinc/59/06/61/521590661.db2.gz JDPYBNZRNOMLJW-FPOVZHCZSA-N 1 2 370.497 2.704 20 30 FFEDLO Cc1ccc([C@@H](CNC(=O)N2CCC[C@](C)(C#N)C2)[NH+]2CCOCC2)cc1 ZINC000612358316 521590814 /nfs/dbraw/zinc/59/08/14/521590814.db2.gz JDPYBNZRNOMLJW-TZIWHRDSSA-N 1 2 370.497 2.704 20 30 FFEDLO CCOc1cc(N2CC[NH+](Cc3ccnc(C#N)c3)CC2)ccc1[N+](=O)[O-] ZINC000619511472 521603601 /nfs/dbraw/zinc/60/36/01/521603601.db2.gz DMDCBOLESCJRIR-UHFFFAOYSA-N 1 2 367.409 2.582 20 30 FFEDLO COc1cc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)ccc1C#N ZINC000619654680 521815182 /nfs/dbraw/zinc/81/51/82/521815182.db2.gz NBSLWFMKILGFHW-MRXNPFEDSA-N 1 2 374.238 2.646 20 30 FFEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784820 521871401 /nfs/dbraw/zinc/87/14/01/521871401.db2.gz VJQIRWHSDWBBGW-VQIMIIECSA-N 1 2 374.916 2.923 20 30 FFEDLO N#C[C@H](c1ccc(Cl)cc1)N1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000619784865 521871580 /nfs/dbraw/zinc/87/15/80/521871580.db2.gz YRVLGEYYQBUSTG-LJQANCHMSA-N 1 2 374.916 2.971 20 30 FFEDLO C=CC[C@@H]1CCN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000623515771 522084035 /nfs/dbraw/zinc/08/40/35/522084035.db2.gz OXMMAAMNXIGVRR-GOSISDBHSA-N 1 2 373.497 2.505 20 30 FFEDLO NC(=O)c1cc(F)ccc1N1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000621383373 522812558 /nfs/dbraw/zinc/81/25/58/522812558.db2.gz DAXLUEQDHZDBQQ-UHFFFAOYSA-N 1 2 371.843 2.752 20 30 FFEDLO N#CCCn1ccc(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)n1 ZINC000526059465 562265618 /nfs/dbraw/zinc/26/56/18/562265618.db2.gz PXLNTYDFTGGHDA-UHFFFAOYSA-N 1 2 359.459 2.883 20 30 FFEDLO N#Cc1c(C#N)c2c(nc1NCC1([NH+]3CCOCC3)CC1)CCCCCC2 ZINC000530321524 562406797 /nfs/dbraw/zinc/40/67/97/562406797.db2.gz BLZPMWBJSDPSTI-UHFFFAOYSA-N 1 2 365.481 2.761 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2nc(-c3ccccc3)oc2C)c1C#N ZINC000536305641 562574177 /nfs/dbraw/zinc/57/41/77/562574177.db2.gz VRWRSXXZKXHGEC-UHFFFAOYSA-N 1 2 364.409 2.649 20 30 FFEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(Cl)ncc2C#N)CC1 ZINC001164918646 721813015 /nfs/dbraw/zinc/81/30/15/721813015.db2.gz SKWJDCBJENCRPF-UHFFFAOYSA-N 1 2 356.861 2.553 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745078223 735395573 /nfs/dbraw/zinc/39/55/73/735395573.db2.gz BTEGXEWVWYKDJC-HOCLYGCPSA-N 1 2 350.484 2.679 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745078223 735395577 /nfs/dbraw/zinc/39/55/77/735395577.db2.gz BTEGXEWVWYKDJC-HOCLYGCPSA-N 1 2 350.484 2.679 20 30 FFEDLO C=CCC1(O)CCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000924432542 738412340 /nfs/dbraw/zinc/41/23/40/738412340.db2.gz PLGNATIUMWLYEK-UHFFFAOYSA-N 1 2 359.495 2.806 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(Br)c3O)CC2)nc1 ZINC000179987518 729199828 /nfs/dbraw/zinc/19/98/28/729199828.db2.gz WZKZBUYXQLPUSP-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO C=CC[C@H](CO)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000321049908 729751924 /nfs/dbraw/zinc/75/19/24/729751924.db2.gz VHYBADOQSBJWMF-SECBINFHSA-N 1 2 365.065 2.944 20 30 FFEDLO C#CC[C@H](COC)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000858321322 730422618 /nfs/dbraw/zinc/42/26/18/730422618.db2.gz YXLZARAKSPUTIG-XYPHTWIQSA-N 1 2 367.852 2.562 20 30 FFEDLO C#CC[C@H](COC)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000858321322 730422619 /nfs/dbraw/zinc/42/26/19/730422619.db2.gz YXLZARAKSPUTIG-XYPHTWIQSA-N 1 2 367.852 2.562 20 30 FFEDLO C[C@@H]1C[NH+]=C(NN=Cc2csc(-c3cccc(Br)c3)n2)N1 ZINC000779800734 738485201 /nfs/dbraw/zinc/48/52/01/738485201.db2.gz PMOBWXRSFCNWNY-SECBINFHSA-N 1 2 364.272 2.844 20 30 FFEDLO C=CCOc1ccc(C[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)cc1Cl ZINC000865867767 731005797 /nfs/dbraw/zinc/00/57/97/731005797.db2.gz RCQTUQBCMLWTEQ-UHFFFAOYSA-N 1 2 361.829 2.763 20 30 FFEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000866745439 731094846 /nfs/dbraw/zinc/09/48/46/731094846.db2.gz XAHAXDIRPOHVOY-CQSZACIVSA-N 1 2 370.881 2.768 20 30 FFEDLO C#CCCCCCC(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000780254782 738529529 /nfs/dbraw/zinc/52/95/29/738529529.db2.gz FOHNQCXLAPAPJY-UHFFFAOYSA-N 1 2 362.495 2.519 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)nn1 ZINC000657423205 731778574 /nfs/dbraw/zinc/77/85/74/731778574.db2.gz HTDIPSWPDXNOSA-GFCCVEGCSA-N 1 2 363.824 2.542 20 30 FFEDLO C=CCN1CC[C@H]([NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000661376565 732197346 /nfs/dbraw/zinc/19/73/46/732197346.db2.gz CLQMUXQMVVALRY-INIZCTEOSA-N 1 2 354.281 2.902 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@@H+](CC2CC2)[C@H](C(N)=O)C2CC2)c1 ZINC000879487036 732709460 /nfs/dbraw/zinc/70/94/60/732709460.db2.gz TZPCPYTWGDKPTJ-INIZCTEOSA-N 1 2 362.271 2.797 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@H+](CC2CC2)[C@H](C(N)=O)C2CC2)c1 ZINC000879487036 732709463 /nfs/dbraw/zinc/70/94/63/732709463.db2.gz TZPCPYTWGDKPTJ-INIZCTEOSA-N 1 2 362.271 2.797 20 30 FFEDLO C#CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000880479901 732913303 /nfs/dbraw/zinc/91/33/03/732913303.db2.gz BKEIAUVIQPNKLP-ZDUSSCGKSA-N 1 2 350.846 2.526 20 30 FFEDLO C#CCCCNC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782520630 738730318 /nfs/dbraw/zinc/73/03/18/738730318.db2.gz PYHSHHRWZIIRHT-WBVHZDCISA-N 1 2 353.388 2.952 20 30 FFEDLO C#CCCCNC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782520630 738730322 /nfs/dbraw/zinc/73/03/22/738730322.db2.gz PYHSHHRWZIIRHT-WBVHZDCISA-N 1 2 353.388 2.952 20 30 FFEDLO CCCN(CCC)C(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949125 738767190 /nfs/dbraw/zinc/76/71/90/738767190.db2.gz PVPIWPXZSPVHEY-UHFFFAOYSA-N 1 2 356.264 2.735 20 30 FFEDLO CC(C)(C)c1csc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1C#N ZINC000888226307 734023743 /nfs/dbraw/zinc/02/37/43/734023743.db2.gz XOVBJOMLDCPEIX-ZDUSSCGKSA-N 1 2 362.499 2.856 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000685572440 734322668 /nfs/dbraw/zinc/32/26/68/734322668.db2.gz OZRKKOCFYMSWJH-QGZVFWFLSA-N 1 2 356.388 2.677 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000728056233 734514315 /nfs/dbraw/zinc/51/43/15/734514315.db2.gz KSUPYLLHUARAMH-CQSZACIVSA-N 1 2 355.360 2.854 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000728056233 734514316 /nfs/dbraw/zinc/51/43/16/734514316.db2.gz KSUPYLLHUARAMH-CQSZACIVSA-N 1 2 355.360 2.854 20 30 FFEDLO C#CC1(O)CC[NH+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000895382788 734998706 /nfs/dbraw/zinc/99/87/06/734998706.db2.gz MOKQPXGBNYTCHW-UHFFFAOYSA-N 1 2 360.255 2.799 20 30 FFEDLO C[NH+](C)Cc1csc(CNc2cc(Br)cnc2C#N)n1 ZINC000895481914 735012975 /nfs/dbraw/zinc/01/29/75/735012975.db2.gz ZYTKLYUNRIPITP-UHFFFAOYSA-N 1 2 352.261 2.846 20 30 FFEDLO CCOC(=O)[C@H](C)C1C[NH+](Cc2cc(C#N)ccc2Br)C1 ZINC000895948845 735078378 /nfs/dbraw/zinc/07/83/78/735078378.db2.gz RYDUNYQAZHOTNJ-LLVKDONJSA-N 1 2 351.244 2.952 20 30 FFEDLO N#Cc1cnc2c(Cl)cccc2c1N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000895959768 735080392 /nfs/dbraw/zinc/08/03/92/735080392.db2.gz FTXGWGUKODKSMR-UHFFFAOYSA-N 1 2 352.829 2.805 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000742237955 735213588 /nfs/dbraw/zinc/21/35/88/735213588.db2.gz RNMVHZNWFLGZDQ-CYBMUJFWSA-N 1 2 351.397 2.513 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000742237955 735213591 /nfs/dbraw/zinc/21/35/91/735213591.db2.gz RNMVHZNWFLGZDQ-CYBMUJFWSA-N 1 2 351.397 2.513 20 30 FFEDLO C#CCCCNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000754212326 736135667 /nfs/dbraw/zinc/13/56/67/736135667.db2.gz UOLXTSMGPDJAAI-UHFFFAOYSA-N 1 2 363.259 2.660 20 30 FFEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000754822388 736204873 /nfs/dbraw/zinc/20/48/73/736204873.db2.gz DBBGNAMRQOZNEK-UHFFFAOYSA-N 1 2 373.444 2.718 20 30 FFEDLO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1cc(Br)cc(F)c1O ZINC000756555386 736342828 /nfs/dbraw/zinc/34/28/28/736342828.db2.gz TZUMVYYSJAKGMS-SNVBAGLBSA-N 1 2 356.239 2.932 20 30 FFEDLO CC(C)(CNS(=O)(=O)c1c(C#N)sc2ccccc21)n1cc[nH+]c1 ZINC000907312351 736609743 /nfs/dbraw/zinc/60/97/43/736609743.db2.gz DNFHGQNZOPMNPN-UHFFFAOYSA-N 1 2 360.464 2.683 20 30 FFEDLO [NH3+][C@H](CC(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(F)F ZINC000912465291 737307936 /nfs/dbraw/zinc/30/79/36/737307936.db2.gz AZSAMYMQVLDAQM-VGRMVHKJSA-N 1 2 356.257 2.995 20 30 FFEDLO NS(=O)(=O)c1ccc(N[NH+]=Cc2c(F)cccc2N2CCCC2)cc1 ZINC000916240506 737688727 /nfs/dbraw/zinc/68/87/27/737688727.db2.gz MSAWPAGYQVITTD-UHFFFAOYSA-N 1 2 362.430 2.519 20 30 FFEDLO NS(=O)(=O)c1ccc(N[NH+]=Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000916240569 737688816 /nfs/dbraw/zinc/68/88/16/737688816.db2.gz OBUCNZWFJVWGQT-UHFFFAOYSA-N 1 2 358.467 2.770 20 30 FFEDLO C=CCOc1ccccc1CNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000917909000 737783271 /nfs/dbraw/zinc/78/32/71/737783271.db2.gz COLAIQVNSXETPY-UHFFFAOYSA-N 1 2 360.483 2.769 20 30 FFEDLO C[N@H+](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)[C@H]1CCSC1 ZINC000773978280 737950263 /nfs/dbraw/zinc/95/02/63/737950263.db2.gz AZQLXCGSKLULAT-NWDGAFQWSA-N 1 2 369.849 2.564 20 30 FFEDLO C[N@@H+](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)[C@H]1CCSC1 ZINC000773978280 737950268 /nfs/dbraw/zinc/95/02/68/737950268.db2.gz AZQLXCGSKLULAT-NWDGAFQWSA-N 1 2 369.849 2.564 20 30 FFEDLO CON=CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000774361973 737984300 /nfs/dbraw/zinc/98/43/00/737984300.db2.gz IXUDFKJFBOMJBS-UHFFFAOYSA-N 1 2 361.442 2.831 20 30 FFEDLO C#C[C@H]([NH2+]Cc1csc(-c2cccc(C(=O)OC)c2)n1)[C@H]1CCCO1 ZINC000775789906 738125091 /nfs/dbraw/zinc/12/50/91/738125091.db2.gz DUMSSKRKBCUINC-DLBZAZTESA-N 1 2 356.447 2.867 20 30 FFEDLO CNC(=O)c1ccc(CO[NH+]=C(N)c2ccc(Br)cc2)cc1 ZINC000786113523 739026076 /nfs/dbraw/zinc/02/60/76/739026076.db2.gz QLSLPUCVEDLBHC-UHFFFAOYSA-N 1 2 362.227 2.646 20 30 FFEDLO N#CC[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C(F)(F)F ZINC000932911454 739536147 /nfs/dbraw/zinc/53/61/47/739536147.db2.gz TTWAPUNARULPRA-AWEZNQCLSA-N 1 2 357.380 2.929 20 30 FFEDLO CN(C)[S@@](C)(=O)=NCC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000934757340 739833840 /nfs/dbraw/zinc/83/38/40/739833840.db2.gz UQJRKSHJMSFNCM-DEOSSOPVSA-N 1 2 367.946 2.978 20 30 FFEDLO C[NH+](C)Cc1cnc(/C=C2/COc3c(cc(F)cc3[N+](=O)[O-])C2=O)s1 ZINC000794712964 739922856 /nfs/dbraw/zinc/92/28/56/739922856.db2.gz PENNXYKDGRRSHO-OQFOIZHKSA-N 1 2 363.370 2.911 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000795041841 739955083 /nfs/dbraw/zinc/95/50/83/739955083.db2.gz LAUVPURCICHCLI-SFHVURJKSA-N 1 2 360.820 2.601 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3ccc(F)cn3)CC2)c(Cl)c1 ZINC000799324024 740408224 /nfs/dbraw/zinc/40/82/24/740408224.db2.gz HQVBVEHAZJEBBY-SFHVURJKSA-N 1 2 360.820 2.601 20 30 FFEDLO N#Cc1c(F)cccc1OS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000799792768 740452110 /nfs/dbraw/zinc/45/21/10/740452110.db2.gz GWHBQKSDDBQSOU-UHFFFAOYSA-N 1 2 357.366 2.710 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2nc(C)c(C)s2)C1 ZINC000969685174 740736785 /nfs/dbraw/zinc/73/67/85/740736785.db2.gz RKKHWBYEAVUJSC-XKQJLSEDSA-N 1 2 363.527 2.678 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccncc2Cl)C1 ZINC000969684172 740736969 /nfs/dbraw/zinc/73/69/69/740736969.db2.gz IHHNCUJESWXFCN-XCRHUMRWSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2nc(C)sc2C)C1 ZINC000970572191 740752645 /nfs/dbraw/zinc/75/26/45/740752645.db2.gz SJNCVTIXRFKOKM-PUECVXPYSA-N 1 2 363.527 2.678 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cnc(Cl)s2)C1 ZINC000971555817 740787188 /nfs/dbraw/zinc/78/71/88/740787188.db2.gz KQDDYZKOQKZAOD-CFVMTHIKSA-N 1 2 369.918 2.810 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cnc(Cl)s2)C1 ZINC000971555817 740787189 /nfs/dbraw/zinc/78/71/89/740787189.db2.gz KQDDYZKOQKZAOD-CFVMTHIKSA-N 1 2 369.918 2.810 20 30 FFEDLO Cc1nsc(N2CC[NH+](C[C@H](O)c3ccc(F)cc3C)CC2)c1C#N ZINC000810065237 741380290 /nfs/dbraw/zinc/38/02/90/741380290.db2.gz NJKRKTFWHAXCAF-KRWDZBQOSA-N 1 2 360.458 2.626 20 30 FFEDLO Cc1ccc(Br)cc1NC(=O)C[NH2+]Cc1nc(C#N)cs1 ZINC000810137934 741391919 /nfs/dbraw/zinc/39/19/19/741391919.db2.gz KMBRHEMKAXVZFM-UHFFFAOYSA-N 1 2 365.256 2.814 20 30 FFEDLO C[NH+]1CCN(c2ccc(NC(=O)CCCC#N)cc2Br)CC1 ZINC000812545562 741631481 /nfs/dbraw/zinc/63/14/81/741631481.db2.gz UFUPWHNXRMXXEX-UHFFFAOYSA-N 1 2 365.275 2.833 20 30 FFEDLO CC(C)(C)OC(=O)N1CC2(CC(=[NH+]n3cc(Br)cn3)C2)C1 ZINC000814884591 741872160 /nfs/dbraw/zinc/87/21/60/741872160.db2.gz OQBKTBQNXMRQDN-UHFFFAOYSA-N 1 2 355.236 2.881 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000819423054 742388735 /nfs/dbraw/zinc/38/87/35/742388735.db2.gz JBRRQUBYLIZJMW-HZPDHXFCSA-N 1 2 367.877 2.516 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000819423054 742388742 /nfs/dbraw/zinc/38/87/42/742388742.db2.gz JBRRQUBYLIZJMW-HZPDHXFCSA-N 1 2 367.877 2.516 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC001015829356 742484915 /nfs/dbraw/zinc/48/49/15/742484915.db2.gz RXOTYEYNCZSSIP-SQNIBIBYSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC001015829356 742484918 /nfs/dbraw/zinc/48/49/18/742484918.db2.gz RXOTYEYNCZSSIP-SQNIBIBYSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](C/C(Cl)=C/Cl)CC2 ZINC001016836781 742496482 /nfs/dbraw/zinc/49/64/82/742496482.db2.gz ODFKBXVJPQNHGJ-BSPAEGICSA-N 1 2 359.297 2.867 20 30 FFEDLO C#C[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)c1ccc(Br)cc1 ZINC000820610349 742524404 /nfs/dbraw/zinc/52/44/04/742524404.db2.gz BKUKMSWMPCMBCH-OAHLLOKOSA-N 1 2 359.227 2.545 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC(=C)Br ZINC001024442208 742725936 /nfs/dbraw/zinc/72/59/36/742725936.db2.gz NTBRFBULPJQSBD-XHSDSOJGSA-N 1 2 371.319 2.847 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=C)Br ZINC001024442208 742725938 /nfs/dbraw/zinc/72/59/38/742725938.db2.gz NTBRFBULPJQSBD-XHSDSOJGSA-N 1 2 371.319 2.847 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001024568061 742730961 /nfs/dbraw/zinc/73/09/61/742730961.db2.gz PJAMXSWMKQBOQG-XHSDSOJGSA-N 1 2 371.319 2.681 20 30 FFEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001024568061 742730963 /nfs/dbraw/zinc/73/09/63/742730963.db2.gz PJAMXSWMKQBOQG-XHSDSOJGSA-N 1 2 371.319 2.681 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC#Cc2ccccc2Cl)O1 ZINC001028148329 742786915 /nfs/dbraw/zinc/78/69/15/742786915.db2.gz BQFSAJIOCXZTPG-SZVBFZGTSA-N 1 2 360.885 2.840 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC#Cc2ccccc2Cl)O1 ZINC001028148329 742786918 /nfs/dbraw/zinc/78/69/18/742786918.db2.gz BQFSAJIOCXZTPG-SZVBFZGTSA-N 1 2 360.885 2.840 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001031866457 742851247 /nfs/dbraw/zinc/85/12/47/742851247.db2.gz JKBQFVHAWAFMBH-MOPGFXCFSA-N 1 2 360.885 2.555 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000823242623 742862940 /nfs/dbraw/zinc/86/29/40/742862940.db2.gz BRKHZOUMWKNRFB-CZUORRHYSA-N 1 2 352.837 2.598 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000823242623 742862952 /nfs/dbraw/zinc/86/29/52/742862952.db2.gz BRKHZOUMWKNRFB-CZUORRHYSA-N 1 2 352.837 2.598 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001033902439 742904052 /nfs/dbraw/zinc/90/40/52/742904052.db2.gz JDTYWVYXVXZANQ-XUWVNRHRSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001033902439 742904056 /nfs/dbraw/zinc/90/40/56/742904056.db2.gz JDTYWVYXVXZANQ-XUWVNRHRSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1C1CCOCC1)CC2 ZINC001035748855 742957489 /nfs/dbraw/zinc/95/74/89/742957489.db2.gz IKOCHKATSMVQAO-DLBZAZTESA-N 1 2 352.906 2.726 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(OC)c1Cl ZINC001038714474 742978815 /nfs/dbraw/zinc/97/88/15/742978815.db2.gz PWYCLWWTCLZONI-OAGGEKHMSA-N 1 2 364.873 2.630 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(OC)c1Cl ZINC001038714474 742978820 /nfs/dbraw/zinc/97/88/20/742978820.db2.gz PWYCLWWTCLZONI-OAGGEKHMSA-N 1 2 364.873 2.630 20 30 FFEDLO C=C(Cl)C[C@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C(=O)OCC ZINC000825146490 743219082 /nfs/dbraw/zinc/21/90/82/743219082.db2.gz FDNMCTSQMCYKBM-WDEREUQCSA-N 1 2 367.755 2.567 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1OCC[C@H]1CC ZINC001049527848 743469166 /nfs/dbraw/zinc/46/91/66/743469166.db2.gz WCLYIERMKZBSBC-FPCVCCKLSA-N 1 2 371.319 2.775 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1OCC[C@H]1CC ZINC001049527848 743469170 /nfs/dbraw/zinc/46/91/70/743469170.db2.gz WCLYIERMKZBSBC-FPCVCCKLSA-N 1 2 371.319 2.775 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001050144330 743500283 /nfs/dbraw/zinc/50/02/83/743500283.db2.gz OKRCFLVUOPHKOQ-SRFFNWCTSA-N 1 2 359.297 2.819 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001050144330 743500291 /nfs/dbraw/zinc/50/02/91/743500291.db2.gz OKRCFLVUOPHKOQ-SRFFNWCTSA-N 1 2 359.297 2.819 20 30 FFEDLO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NNC=C3CC3(F)F)[nH+]c2)C1 ZINC000834930949 745925036 /nfs/dbraw/zinc/92/50/36/745925036.db2.gz YUHNVUQPHTXFHM-UPJWGTAASA-N 1 2 372.441 2.801 20 30 FFEDLO C#C[C@@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000836242976 746173243 /nfs/dbraw/zinc/17/32/43/746173243.db2.gz ZKPMNZUGZLWNHG-IUODEOHRSA-N 1 2 361.243 2.708 20 30 FFEDLO C[C@@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)c1ncc(Br)cn1 ZINC000842036379 747506198 /nfs/dbraw/zinc/50/61/98/747506198.db2.gz XQTDAVZWKRQSRY-SECBINFHSA-N 1 2 363.215 2.572 20 30 FFEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CC2(Br)CC2)CC1 ZINC000846851810 748558138 /nfs/dbraw/zinc/55/81/38/748558138.db2.gz PPKVCLIIGNZHPV-HNNXBMFYSA-N 1 2 352.251 2.935 20 30 FFEDLO CC(=NNCCCn1cc[nH+]c1)c1cc(Br)c(F)cc1O ZINC000848417824 748921202 /nfs/dbraw/zinc/92/12/02/748921202.db2.gz GBCKUJOWJMGYEA-UHFFFAOYSA-N 1 2 355.211 2.894 20 30 FFEDLO CCCCCCCS(=O)(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000851824807 749689540 /nfs/dbraw/zinc/68/95/40/749689540.db2.gz MMECHTWHFYBPIX-IAGOWNOFSA-N 1 2 358.548 2.520 20 30 FFEDLO C#CCOCC[NH+]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000851993747 749746060 /nfs/dbraw/zinc/74/60/60/749746060.db2.gz LLRAFDKREZGVCT-UHFFFAOYSA-N 1 2 355.360 2.505 20 30 FFEDLO Cc1cc(C(N)=[NH+]OCCCS(=O)(=O)c2ccccc2)ccc1F ZINC000063457597 845463565 /nfs/dbraw/zinc/46/35/65/845463565.db2.gz CLMRMDUGFCRGTR-UHFFFAOYSA-N 1 2 350.415 2.635 20 30 FFEDLO NC(=[NH+]OCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000072807248 845560636 /nfs/dbraw/zinc/56/06/36/845560636.db2.gz WNVDCZYRDRDTPG-UHFFFAOYSA-N 1 2 353.300 2.861 20 30 FFEDLO Cc1c(C(=O)C=Cc2c[nH+]c3c(C)cccn23)c(-c2nn[nH]n2)c2n1CCC2 ZINC000737432821 945064157 /nfs/dbraw/zinc/06/41/57/945064157.db2.gz CPOHKSVFFRYHQZ-BQYQJAHWSA-N 1 2 373.420 2.775 20 30 FFEDLO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1nc(Cc2ccccc2F)no1 ZINC000895798922 970966031 /nfs/dbraw/zinc/96/60/31/970966031.db2.gz LJTYJNFKIVKZFR-AWEZNQCLSA-N 1 2 358.417 2.988 20 30 FFEDLO Cc1cccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001095287647 1013094239 /nfs/dbraw/zinc/09/42/39/1013094239.db2.gz CADQCXZBMCDVNX-AABGKKOBSA-N 1 2 363.436 2.916 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(F)c1 ZINC001029480675 971602361 /nfs/dbraw/zinc/60/23/61/971602361.db2.gz FMMUOTCQEUQZIR-OLMMMNRUSA-N 1 2 362.420 2.731 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(F)c1 ZINC001029480675 971602364 /nfs/dbraw/zinc/60/23/64/971602364.db2.gz FMMUOTCQEUQZIR-OLMMMNRUSA-N 1 2 362.420 2.731 20 30 FFEDLO Cc1cccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001095287647 1013094254 /nfs/dbraw/zinc/09/42/54/1013094254.db2.gz CADQCXZBMCDVNX-AABGKKOBSA-N 1 2 363.436 2.916 20 30 FFEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC000896629957 971638450 /nfs/dbraw/zinc/63/84/50/971638450.db2.gz CONGIOSAPIQOQS-FQEVSTJZSA-N 1 2 370.497 2.558 20 30 FFEDLO CN1CCC2(CC[NH+](Cc3cc(Br)ccc3C#N)CC2)C1=O ZINC001141904886 971646249 /nfs/dbraw/zinc/64/62/49/971646249.db2.gz HYMTUYSKRZNDQN-UHFFFAOYSA-N 1 2 362.271 2.765 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(C)o1 ZINC001029508848 972377073 /nfs/dbraw/zinc/37/70/73/972377073.db2.gz RNIHXDSFPWHJQH-NBMJBFSESA-N 1 2 359.470 2.530 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(C)o1 ZINC001029508848 972377079 /nfs/dbraw/zinc/37/70/79/972377079.db2.gz RNIHXDSFPWHJQH-NBMJBFSESA-N 1 2 359.470 2.530 20 30 FFEDLO Cc1cc(C(=O)O[C@H](C)C[NH+]2CCOCC2)c(C)n1-c1ccc(C#N)cc1 ZINC000784917633 959016752 /nfs/dbraw/zinc/01/67/52/959016752.db2.gz GOMMKWANINHOEF-MRXNPFEDSA-N 1 2 367.449 2.843 20 30 FFEDLO CON=Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000255021671 959990654 /nfs/dbraw/zinc/99/06/54/959990654.db2.gz SEPRNZQOSNSIOC-UHFFFAOYSA-N 1 2 353.422 2.751 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cncc(F)c2)C3)ccc1F ZINC001095303288 1013197974 /nfs/dbraw/zinc/19/79/74/1013197974.db2.gz XNHGOGJWMSCTHW-NEWSRXKRSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cncc(F)c2)C3)ccc1F ZINC001095303288 1013197978 /nfs/dbraw/zinc/19/79/78/1013197978.db2.gz XNHGOGJWMSCTHW-NEWSRXKRSA-N 1 2 368.387 2.767 20 30 FFEDLO N#CCCCN1CCC2(CC[NH+](Cc3ccnc(Cl)c3F)CC2)C1=O ZINC001275952378 1013222388 /nfs/dbraw/zinc/22/23/88/1013222388.db2.gz WZSNBFNHSFOAGK-UHFFFAOYSA-N 1 2 364.852 2.992 20 30 FFEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cnoc1 ZINC001275957942 1013230745 /nfs/dbraw/zinc/23/07/45/1013230745.db2.gz YWYUTNUBTATCPY-QZTJIDSGSA-N 1 2 370.840 2.965 20 30 FFEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cnoc1 ZINC001275957942 1013230754 /nfs/dbraw/zinc/23/07/54/1013230754.db2.gz YWYUTNUBTATCPY-QZTJIDSGSA-N 1 2 370.840 2.965 20 30 FFEDLO CC(C)c1cc([C@H]2CCC[N@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)[nH]n1 ZINC000872789782 1013262595 /nfs/dbraw/zinc/26/25/95/1013262595.db2.gz DTMDLFNXYFDSSS-INIZCTEOSA-N 1 2 365.481 2.892 20 30 FFEDLO CC(C)c1cc([C@H]2CCC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)[nH]n1 ZINC000872789782 1013262603 /nfs/dbraw/zinc/26/26/03/1013262603.db2.gz DTMDLFNXYFDSSS-INIZCTEOSA-N 1 2 365.481 2.892 20 30 FFEDLO CC(C)c1cc([C@H]2CCC[N@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)n[nH]1 ZINC000872789782 1013262611 /nfs/dbraw/zinc/26/26/11/1013262611.db2.gz DTMDLFNXYFDSSS-INIZCTEOSA-N 1 2 365.481 2.892 20 30 FFEDLO CC(C)c1cc([C@H]2CCC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)n[nH]1 ZINC000872789782 1013262619 /nfs/dbraw/zinc/26/26/19/1013262619.db2.gz DTMDLFNXYFDSSS-INIZCTEOSA-N 1 2 365.481 2.892 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cccc(F)c2Br)C1=O ZINC001276007725 1013278211 /nfs/dbraw/zinc/27/82/11/1013278211.db2.gz BJLMSPHAMMLPLD-QGZVFWFLSA-N 1 2 365.246 2.788 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cccc(F)c2Br)C1=O ZINC001276007725 1013278214 /nfs/dbraw/zinc/27/82/14/1013278214.db2.gz BJLMSPHAMMLPLD-QGZVFWFLSA-N 1 2 365.246 2.788 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cc(F)ccc2F)C1 ZINC000970570151 961732184 /nfs/dbraw/zinc/73/21/84/961732184.db2.gz HJWQVFYCYZTZKD-FMEYXAORSA-N 1 2 364.436 2.883 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc(C)oc1C ZINC000960648804 1013440524 /nfs/dbraw/zinc/44/05/24/1013440524.db2.gz UMWCADDXIUXEKD-LMMKCTJWSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc(C)oc1C ZINC000960648804 1013440529 /nfs/dbraw/zinc/44/05/29/1013440529.db2.gz UMWCADDXIUXEKD-LMMKCTJWSA-N 1 2 361.486 2.695 20 30 FFEDLO C[C@@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)[C@H]1c1ccccc1 ZINC000247359773 964311495 /nfs/dbraw/zinc/31/14/95/964311495.db2.gz CAYKCYNGPKCPAC-YOMUGFJLSA-N 1 2 374.444 2.976 20 30 FFEDLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)[C@H]1c1ccccc1 ZINC000247359773 964311501 /nfs/dbraw/zinc/31/15/01/964311501.db2.gz CAYKCYNGPKCPAC-YOMUGFJLSA-N 1 2 374.444 2.976 20 30 FFEDLO Cc1nscc1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001075708827 964359796 /nfs/dbraw/zinc/35/97/96/964359796.db2.gz OYACZBYOYRDVRM-MAUKXSAKSA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1nscc1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001075708827 964359804 /nfs/dbraw/zinc/35/98/04/964359804.db2.gz OYACZBYOYRDVRM-MAUKXSAKSA-N 1 2 370.453 2.809 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(C)on1 ZINC000960913820 1013519123 /nfs/dbraw/zinc/51/91/23/1013519123.db2.gz RQAFDEFSCOLGEZ-FHWLQOOXSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(C)on1 ZINC000960913820 1013519127 /nfs/dbraw/zinc/51/91/27/1013519127.db2.gz RQAFDEFSCOLGEZ-FHWLQOOXSA-N 1 2 361.486 2.777 20 30 FFEDLO O=C1NCC[C@H]2CCC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)[C@H]12 ZINC001175661292 1013531197 /nfs/dbraw/zinc/53/11/97/1013531197.db2.gz LTEJKNNHMHNWKM-ZBFHGGJFSA-N 1 2 352.356 2.537 20 30 FFEDLO O=C1NCC[C@H]2CCC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)[C@H]12 ZINC001175661292 1013531201 /nfs/dbraw/zinc/53/12/01/1013531201.db2.gz LTEJKNNHMHNWKM-ZBFHGGJFSA-N 1 2 352.356 2.537 20 30 FFEDLO Cc1cn2cc(NC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)ccc2[nH+]1 ZINC000328856423 964867434 /nfs/dbraw/zinc/86/74/34/964867434.db2.gz UGULPHHRBVDWQJ-UHFFFAOYSA-N 1 2 369.425 2.828 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2C[C@]21C(=O)Nc1cccc2[nH+]ccn21 ZINC001270609392 965297509 /nfs/dbraw/zinc/29/75/09/965297509.db2.gz BTXGSBYZMICSHT-VBKZILBWSA-N 1 2 352.438 2.866 20 30 FFEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000971980324 965851582 /nfs/dbraw/zinc/85/15/82/965851582.db2.gz YRZKAWAFFYKWSV-AQNXPRMDSA-N 1 2 371.456 2.545 20 30 FFEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000971980324 965851589 /nfs/dbraw/zinc/85/15/89/965851589.db2.gz YRZKAWAFFYKWSV-AQNXPRMDSA-N 1 2 371.456 2.545 20 30 FFEDLO COc1cc(C)cc(C[NH+]2CCN(c3cnccc3C#N)CC2)c1OC ZINC000894843643 965880886 /nfs/dbraw/zinc/88/08/86/965880886.db2.gz JSHHRNYVSRUZIR-UHFFFAOYSA-N 1 2 352.438 2.601 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001112149602 965953834 /nfs/dbraw/zinc/95/38/34/965953834.db2.gz KQZGIHRWEVZVAL-BPLDGKMQSA-N 1 2 358.408 2.501 20 30 FFEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](Cc3coc(-c4ccccc4)n3)C[C@H]21 ZINC001075770617 966025457 /nfs/dbraw/zinc/02/54/57/966025457.db2.gz CJMIYEAQAMUHSH-AZUAARDMSA-N 1 2 361.445 2.788 20 30 FFEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](Cc3coc(-c4ccccc4)n3)C[C@H]21 ZINC001075770617 966025471 /nfs/dbraw/zinc/02/54/71/966025471.db2.gz CJMIYEAQAMUHSH-AZUAARDMSA-N 1 2 361.445 2.788 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC000972375550 966873865 /nfs/dbraw/zinc/87/38/65/966873865.db2.gz HUXFODBRGOVADQ-OAGGEKHMSA-N 1 2 361.486 2.596 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC000972375550 966873872 /nfs/dbraw/zinc/87/38/72/966873872.db2.gz HUXFODBRGOVADQ-OAGGEKHMSA-N 1 2 361.486 2.596 20 30 FFEDLO C=CCOCCNC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000685050271 967090879 /nfs/dbraw/zinc/09/08/79/967090879.db2.gz UUBCGNVCTWGAQH-KRWDZBQOSA-N 1 2 361.486 2.504 20 30 FFEDLO C=CCOCCNC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000685050271 967090887 /nfs/dbraw/zinc/09/08/87/967090887.db2.gz UUBCGNVCTWGAQH-KRWDZBQOSA-N 1 2 361.486 2.504 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2snnc2C)CC[N@@H+]1Cc1ccccc1C#N ZINC001087499519 967105790 /nfs/dbraw/zinc/10/57/90/967105790.db2.gz XJTTXRXCPKAHER-JKSUJKDBSA-N 1 2 355.467 2.501 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2snnc2C)CC[N@H+]1Cc1ccccc1C#N ZINC001087499519 967105796 /nfs/dbraw/zinc/10/57/96/967105796.db2.gz XJTTXRXCPKAHER-JKSUJKDBSA-N 1 2 355.467 2.501 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2Cc3ccccc3O2)CC1=O ZINC000121460536 967119554 /nfs/dbraw/zinc/11/95/54/967119554.db2.gz DLDLTCOISHFZRF-OAHLLOKOSA-N 1 2 374.444 2.650 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ncn4cc(Cl)ccc34)[C@@H]2C1 ZINC001075810675 968009692 /nfs/dbraw/zinc/00/96/92/968009692.db2.gz QLTZXGQGLARYCH-SWLSCSKDSA-N 1 2 365.264 2.887 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ncn4cc(Cl)ccc34)[C@@H]2C1 ZINC001075810675 968009702 /nfs/dbraw/zinc/00/97/02/968009702.db2.gz QLTZXGQGLARYCH-SWLSCSKDSA-N 1 2 365.264 2.887 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(-c3ccccc3)nn2)[C@H]1CC ZINC001087638391 968449007 /nfs/dbraw/zinc/44/90/07/968449007.db2.gz QHZQVGXHTVDKNS-DOTOQJQBSA-N 1 2 359.861 2.603 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(-c3ccccc3)nn2)[C@H]1CC ZINC001087638391 968449009 /nfs/dbraw/zinc/44/90/09/968449009.db2.gz QHZQVGXHTVDKNS-DOTOQJQBSA-N 1 2 359.861 2.603 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nnc(CC)n3C)[C@@H]2CC)CC1 ZINC001087713873 968703131 /nfs/dbraw/zinc/70/31/31/968703131.db2.gz PPDWCOCRVJFQOQ-DLBZAZTESA-N 1 2 359.518 2.593 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(CC)n3C)[C@@H]2CC)CC1 ZINC001087713873 968703137 /nfs/dbraw/zinc/70/31/37/968703137.db2.gz PPDWCOCRVJFQOQ-DLBZAZTESA-N 1 2 359.518 2.593 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2nccc(C)n2)[C@@H]1CC ZINC001087755427 968884449 /nfs/dbraw/zinc/88/44/49/968884449.db2.gz OFYMAQQYCJDMBY-GNBUJSLZSA-N 1 2 372.513 2.625 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nccc(C)n2)[C@@H]1CC ZINC001087755427 968884460 /nfs/dbraw/zinc/88/44/60/968884460.db2.gz OFYMAQQYCJDMBY-GNBUJSLZSA-N 1 2 372.513 2.625 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2nc(C)c[nH]2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087755666 968887355 /nfs/dbraw/zinc/88/73/55/968887355.db2.gz AINYZJBXJRMRNL-DLBZAZTESA-N 1 2 355.417 2.512 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2nc(C)c[nH]2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087755666 968887359 /nfs/dbraw/zinc/88/73/59/968887359.db2.gz AINYZJBXJRMRNL-DLBZAZTESA-N 1 2 355.417 2.512 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cncc(F)c1 ZINC001024444049 968923325 /nfs/dbraw/zinc/92/33/25/968923325.db2.gz URZNKDDRJGGDQA-QRVBRYPASA-N 1 2 361.461 2.673 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cncc(F)c1 ZINC001024444049 968923332 /nfs/dbraw/zinc/92/33/32/968923332.db2.gz URZNKDDRJGGDQA-QRVBRYPASA-N 1 2 361.461 2.673 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1coc(C)n1 ZINC001024700828 969262821 /nfs/dbraw/zinc/26/28/21/969262821.db2.gz HAXHFWGLTFFKEK-FHWLQOOXSA-N 1 2 361.486 2.825 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1coc(C)n1 ZINC001024700828 969262833 /nfs/dbraw/zinc/26/28/33/969262833.db2.gz HAXHFWGLTFFKEK-FHWLQOOXSA-N 1 2 361.486 2.825 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccsc3)[C@@H]2C1 ZINC001075511423 969504350 /nfs/dbraw/zinc/50/43/50/969504350.db2.gz GDSVAZYATBEEPC-UONOGXRCSA-N 1 2 355.301 2.732 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccsc3)[C@@H]2C1 ZINC001075511423 969504353 /nfs/dbraw/zinc/50/43/53/969504353.db2.gz GDSVAZYATBEEPC-UONOGXRCSA-N 1 2 355.301 2.732 20 30 FFEDLO COc1ccc2c(c1NC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1)CCC2 ZINC000330144583 970551921 /nfs/dbraw/zinc/55/19/21/970551921.db2.gz ZRFPASOKZLDWIZ-KRWDZBQOSA-N 1 2 373.497 2.772 20 30 FFEDLO COc1ccc2c(c1NC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1)CCC2 ZINC000330144583 970551929 /nfs/dbraw/zinc/55/19/29/970551929.db2.gz ZRFPASOKZLDWIZ-KRWDZBQOSA-N 1 2 373.497 2.772 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC001141814695 970695100 /nfs/dbraw/zinc/69/51/00/970695100.db2.gz NOBGCYWICNDYNP-SMDDNHRTSA-N 1 2 351.244 2.952 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC001141814695 970695108 /nfs/dbraw/zinc/69/51/08/970695108.db2.gz NOBGCYWICNDYNP-SMDDNHRTSA-N 1 2 351.244 2.952 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000875918579 1014095727 /nfs/dbraw/zinc/09/57/27/1014095727.db2.gz TZWQNYKMDUYJOI-RLLQIKCJSA-N 1 2 366.465 2.839 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C#N)c1 ZINC001271497387 973815087 /nfs/dbraw/zinc/81/50/87/973815087.db2.gz PZSJRNVYKAYZJV-CALCHBBNSA-N 1 2 352.463 2.812 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C#N)c1 ZINC001271497387 973815098 /nfs/dbraw/zinc/81/50/98/973815098.db2.gz PZSJRNVYKAYZJV-CALCHBBNSA-N 1 2 352.463 2.812 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCF)CC[C@@H]1c1ccccc1 ZINC001087428224 975613736 /nfs/dbraw/zinc/61/37/36/975613736.db2.gz SPOLGIDKTGGJGF-WTGUMLROSA-N 1 2 360.473 2.911 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCF)CC[C@@H]1c1ccccc1 ZINC001087428224 975613741 /nfs/dbraw/zinc/61/37/41/975613741.db2.gz SPOLGIDKTGGJGF-WTGUMLROSA-N 1 2 360.473 2.911 20 30 FFEDLO CC[C@@H](CC#N)[NH2+]Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000893606136 975896690 /nfs/dbraw/zinc/89/66/90/975896690.db2.gz NCHRKQPGWUASJN-LSDHHAIUSA-N 1 2 362.478 2.632 20 30 FFEDLO N#CCCn1ncc(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)c1-c1ccccc1 ZINC000898503050 976509548 /nfs/dbraw/zinc/50/95/48/976509548.db2.gz SOPRMSIIHAJUFU-KRWDZBQOSA-N 1 2 369.444 2.627 20 30 FFEDLO N#CCCn1ncc(C(=O)N[C@H]2CCC[N@H+](CCF)C2)c1-c1ccccc1 ZINC000898503050 976509557 /nfs/dbraw/zinc/50/95/57/976509557.db2.gz SOPRMSIIHAJUFU-KRWDZBQOSA-N 1 2 369.444 2.627 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000981680513 976707065 /nfs/dbraw/zinc/70/70/65/976707065.db2.gz LMIPKJALMXMNTH-GOEBONIOSA-N 1 2 366.465 2.934 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(OC)cs2)C1 ZINC001087434286 976713399 /nfs/dbraw/zinc/71/33/99/976713399.db2.gz FYDXQDFNMAODLD-QZTJIDSGSA-N 1 2 354.475 2.978 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(OC)cs2)C1 ZINC001087434286 976713408 /nfs/dbraw/zinc/71/34/08/976713408.db2.gz FYDXQDFNMAODLD-QZTJIDSGSA-N 1 2 354.475 2.978 20 30 FFEDLO Nc1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c[nH+]1 ZINC000899340953 977100585 /nfs/dbraw/zinc/10/05/85/977100585.db2.gz PVKSWTUFBJDOHQ-WMZJFQQLSA-N 1 2 371.462 2.735 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000982173461 977322932 /nfs/dbraw/zinc/32/29/32/977322932.db2.gz NMCLKNWNCKQJFK-ICSRJNTNSA-N 1 2 371.456 2.713 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000982173461 977322939 /nfs/dbraw/zinc/32/29/39/977322939.db2.gz NMCLKNWNCKQJFK-ICSRJNTNSA-N 1 2 371.456 2.713 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2cccc(F)c2F)CC1 ZINC000982173466 977322956 /nfs/dbraw/zinc/32/29/56/977322956.db2.gz NUERYKVDHBTHJA-LPHOPBHVSA-N 1 2 364.436 2.980 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2cccc(F)c2F)CC1 ZINC000982173466 977322962 /nfs/dbraw/zinc/32/29/62/977322962.db2.gz NUERYKVDHBTHJA-LPHOPBHVSA-N 1 2 364.436 2.980 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(-c4ccccc4)o3)C[C@H]21 ZINC001075616508 977324069 /nfs/dbraw/zinc/32/40/69/977324069.db2.gz VOARWLCFVCLLQJ-BHYGNILZSA-N 1 2 350.422 2.534 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(-c4ccccc4)o3)C[C@H]21 ZINC001075616508 977324075 /nfs/dbraw/zinc/32/40/75/977324075.db2.gz VOARWLCFVCLLQJ-BHYGNILZSA-N 1 2 350.422 2.534 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4ccc(F)cc4O3)[C@@H]2C1 ZINC001076040957 977462010 /nfs/dbraw/zinc/46/20/10/977462010.db2.gz AWDAUBNWSMRGMR-USXIJHARSA-N 1 2 364.848 2.805 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4ccc(F)cc4O3)[C@@H]2C1 ZINC001076040957 977462015 /nfs/dbraw/zinc/46/20/15/977462015.db2.gz AWDAUBNWSMRGMR-USXIJHARSA-N 1 2 364.848 2.805 20 30 FFEDLO N#Cc1cnn2c1[nH]c(C[NH2+][C@H](c1ccccc1)c1ccccn1)cc2=O ZINC001167926686 978083801 /nfs/dbraw/zinc/08/38/01/978083801.db2.gz CGMAGXGEVMBSBW-LJQANCHMSA-N 1 2 356.389 2.581 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(C)no2)C1 ZINC001087461755 978087875 /nfs/dbraw/zinc/08/78/75/978087875.db2.gz AIZASHQMGDFFFT-QZTJIDSGSA-N 1 2 355.413 2.733 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(C)no2)C1 ZINC001087461755 978087882 /nfs/dbraw/zinc/08/78/82/978087882.db2.gz AIZASHQMGDFFFT-QZTJIDSGSA-N 1 2 355.413 2.733 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001087462690 978113316 /nfs/dbraw/zinc/11/33/16/978113316.db2.gz XGFIYEOGXSLYRQ-CGTJXYLNSA-N 1 2 366.864 2.889 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001087462690 978113319 /nfs/dbraw/zinc/11/33/19/978113319.db2.gz XGFIYEOGXSLYRQ-CGTJXYLNSA-N 1 2 366.864 2.889 20 30 FFEDLO Cc1ncc(CO)c(C=Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1O ZINC000729150799 978191042 /nfs/dbraw/zinc/19/10/42/978191042.db2.gz YNKAJLPLYLCMAC-OAHLLOKOSA-N 1 2 355.438 2.732 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(C)sn2)C1 ZINC001087464711 978266644 /nfs/dbraw/zinc/26/66/44/978266644.db2.gz ZCMXQITXBZOECQ-SJLPKXTDSA-N 1 2 357.454 2.812 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(C)sn2)C1 ZINC001087464711 978266651 /nfs/dbraw/zinc/26/66/51/978266651.db2.gz ZCMXQITXBZOECQ-SJLPKXTDSA-N 1 2 357.454 2.812 20 30 FFEDLO N#CCOc1ccc(C[N@@H+]2CCCn3nnc(COCC4CC4)c3C2)cc1 ZINC001137116632 1014496597 /nfs/dbraw/zinc/49/65/97/1014496597.db2.gz LMZGGFKIWIEFDE-UHFFFAOYSA-N 1 2 367.453 2.513 20 30 FFEDLO N#CCOc1ccc(C[N@H+]2CCCn3nnc(COCC4CC4)c3C2)cc1 ZINC001137116632 1014496604 /nfs/dbraw/zinc/49/66/04/1014496604.db2.gz LMZGGFKIWIEFDE-UHFFFAOYSA-N 1 2 367.453 2.513 20 30 FFEDLO N#Cc1ccccc1N1CCC(NC(=O)[C@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000877176155 1014500621 /nfs/dbraw/zinc/50/06/21/1014500621.db2.gz QGMXSMOKHVAQDE-LJQANCHMSA-N 1 2 370.403 2.621 20 30 FFEDLO COc1c(C)c[nH+]c(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1C ZINC000877340646 1014555196 /nfs/dbraw/zinc/55/51/96/1014555196.db2.gz LFDHASMYEYRRLM-GDBMZVCRSA-N 1 2 360.458 2.556 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4csnc4OC)C[C@H]32)CC1 ZINC001076208794 979225654 /nfs/dbraw/zinc/22/56/54/979225654.db2.gz LASMLKRTORJUON-DOTOQJQBSA-N 1 2 361.511 2.931 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4csnc4OC)C[C@H]32)CC1 ZINC001076208794 979225659 /nfs/dbraw/zinc/22/56/59/979225659.db2.gz LASMLKRTORJUON-DOTOQJQBSA-N 1 2 361.511 2.931 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001076262680 979289613 /nfs/dbraw/zinc/28/96/13/979289613.db2.gz PZJHZTZBHVIQCQ-HPBDAGMYSA-N 1 2 373.522 2.644 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001076262680 979289617 /nfs/dbraw/zinc/28/96/17/979289617.db2.gz PZJHZTZBHVIQCQ-HPBDAGMYSA-N 1 2 373.522 2.644 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cccc5[nH]cnc54)[C@@H]3C2)cc1 ZINC001076389378 979447065 /nfs/dbraw/zinc/44/70/65/979447065.db2.gz VGVYYSTZALQEKN-FXAWDEMLSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cccc5[nH]cnc54)[C@@H]3C2)cc1 ZINC001076389378 979447071 /nfs/dbraw/zinc/44/70/71/979447071.db2.gz VGVYYSTZALQEKN-FXAWDEMLSA-N 1 2 371.444 2.781 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)[C@@H]1CCCO1 ZINC000877412999 1014578862 /nfs/dbraw/zinc/57/88/62/1014578862.db2.gz CGRWLXSXOPFBIB-CABCVRRESA-N 1 2 363.458 2.705 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)n3cnc4ccccc43)[C@@H]2C1 ZINC001076424760 979480625 /nfs/dbraw/zinc/48/06/25/979480625.db2.gz LTWFVARTQHUHPB-RLFYNMQTSA-N 1 2 358.873 2.883 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)n3cnc4ccccc43)[C@@H]2C1 ZINC001076424760 979480628 /nfs/dbraw/zinc/48/06/28/979480628.db2.gz LTWFVARTQHUHPB-RLFYNMQTSA-N 1 2 358.873 2.883 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(Cl)cn3)[C@@H]2C1 ZINC001076481531 979544450 /nfs/dbraw/zinc/54/44/50/979544450.db2.gz SHOURRDZBXXHMK-SMDDNHRTSA-N 1 2 370.678 2.790 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(Cl)cn3)[C@@H]2C1 ZINC001076481531 979544456 /nfs/dbraw/zinc/54/44/56/979544456.db2.gz SHOURRDZBXXHMK-SMDDNHRTSA-N 1 2 370.678 2.790 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1cc(O)ccc1Cl ZINC001088529560 980450495 /nfs/dbraw/zinc/45/04/95/980450495.db2.gz BRUPFVKMNIESIP-BZNIZROVSA-N 1 2 358.829 2.638 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1cc(O)ccc1Cl ZINC001088529560 980450500 /nfs/dbraw/zinc/45/05/00/980450500.db2.gz BRUPFVKMNIESIP-BZNIZROVSA-N 1 2 358.829 2.638 20 30 FFEDLO CO[C@@H]1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)Cc3cccnc3N2C1 ZINC000877687888 1014682557 /nfs/dbraw/zinc/68/25/57/1014682557.db2.gz NABWVZBYZMDSSD-ZWKOTPCHSA-N 1 2 352.413 2.702 20 30 FFEDLO CO[C@@H]1C[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)Cc3cccnc3N2C1 ZINC000877687888 1014682562 /nfs/dbraw/zinc/68/25/62/1014682562.db2.gz NABWVZBYZMDSSD-ZWKOTPCHSA-N 1 2 352.413 2.702 20 30 FFEDLO Cc1ccccc1C[N@@H+]1CCO[C@H](CNCc2cc(C#N)cnc2Cl)C1 ZINC000877708765 1014692489 /nfs/dbraw/zinc/69/24/89/1014692489.db2.gz VKPBVJVPWWGYHE-LJQANCHMSA-N 1 2 370.884 2.906 20 30 FFEDLO Cc1ccccc1C[N@H+]1CCO[C@H](CNCc2cc(C#N)cnc2Cl)C1 ZINC000877708765 1014692498 /nfs/dbraw/zinc/69/24/98/1014692498.db2.gz VKPBVJVPWWGYHE-LJQANCHMSA-N 1 2 370.884 2.906 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCO[C@H]2C(C)C)[C@H]1C ZINC001088576627 981267894 /nfs/dbraw/zinc/26/78/94/981267894.db2.gz AMBILYROCXSLLZ-UGUYLWEFSA-N 1 2 373.335 2.925 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCO[C@H]2C(C)C)[C@H]1C ZINC001088576627 981267897 /nfs/dbraw/zinc/26/78/97/981267897.db2.gz AMBILYROCXSLLZ-UGUYLWEFSA-N 1 2 373.335 2.925 20 30 FFEDLO C#CCCCc1nnc(N(CC)CC2CCN(c3cccc[nH+]3)CC2)n1C ZINC000908530664 981460413 /nfs/dbraw/zinc/46/04/13/981460413.db2.gz AAAWFXRQJYVCHB-UHFFFAOYSA-N 1 2 366.513 2.909 20 30 FFEDLO CCc1ncsc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088608128 981496534 /nfs/dbraw/zinc/49/65/34/981496534.db2.gz JWUVLCZJOXEUDR-QAPCUYQASA-N 1 2 353.491 2.950 20 30 FFEDLO CCc1ncsc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088608128 981496538 /nfs/dbraw/zinc/49/65/38/981496538.db2.gz JWUVLCZJOXEUDR-QAPCUYQASA-N 1 2 353.491 2.950 20 30 FFEDLO Cc1noc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)c1C ZINC001075925529 981679760 /nfs/dbraw/zinc/67/97/60/981679760.db2.gz RMZXNUMOXDKAJO-FUHWJXTLSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1noc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)c1C ZINC001075925529 981679763 /nfs/dbraw/zinc/67/97/63/981679763.db2.gz RMZXNUMOXDKAJO-FUHWJXTLSA-N 1 2 368.412 2.649 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(F)cc1F ZINC001272132222 981739541 /nfs/dbraw/zinc/73/95/41/981739541.db2.gz ZFFJYAJMPFNKNX-WMZOPIPTSA-N 1 2 352.425 2.836 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(F)cc1F ZINC001272132222 981739551 /nfs/dbraw/zinc/73/95/51/981739551.db2.gz ZFFJYAJMPFNKNX-WMZOPIPTSA-N 1 2 352.425 2.836 20 30 FFEDLO CC(=O)[C@](C#N)(CC[NH+]1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000877926338 1014769229 /nfs/dbraw/zinc/76/92/29/1014769229.db2.gz NEXKQDYKABTNTF-JOCHJYFZSA-N 1 2 362.477 2.640 20 30 FFEDLO CCC(=CC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2OC)C[C@H]1OC)CC ZINC001212109586 982725877 /nfs/dbraw/zinc/72/58/77/982725877.db2.gz UEDTUOKFSJRADR-UYAOXDASSA-N 1 2 371.481 2.629 20 30 FFEDLO CCC(=CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)C[C@H]1OC)CC ZINC001212109586 982725880 /nfs/dbraw/zinc/72/58/80/982725880.db2.gz UEDTUOKFSJRADR-UYAOXDASSA-N 1 2 371.481 2.629 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@H+](CC(N)=O)[C@H](C)c1ccccc1)c1ccccc1 ZINC000878270548 1014957417 /nfs/dbraw/zinc/95/74/17/1014957417.db2.gz XGHDCNRVDYFPSN-VGOFRKELSA-N 1 2 363.461 2.976 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@@H+](CC(N)=O)[C@H](C)c1ccccc1)c1ccccc1 ZINC000878270548 1014957425 /nfs/dbraw/zinc/95/74/25/1014957425.db2.gz XGHDCNRVDYFPSN-VGOFRKELSA-N 1 2 363.461 2.976 20 30 FFEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC[C@](C#N)(C(C)=O)c3ccccc3)[C@H]2C1 ZINC000878302284 1014977641 /nfs/dbraw/zinc/97/76/41/1014977641.db2.gz YKMYNUQCVNEFKF-ANULTFPQSA-N 1 2 356.466 2.695 20 30 FFEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC[C@](C#N)(C(C)=O)c3ccccc3)[C@H]2C1 ZINC000878302284 1014977648 /nfs/dbraw/zinc/97/76/48/1014977648.db2.gz YKMYNUQCVNEFKF-ANULTFPQSA-N 1 2 356.466 2.695 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H]3CCC4(CCOCC4)CO3)CCO2)c1 ZINC000878322242 1014985450 /nfs/dbraw/zinc/98/54/50/1014985450.db2.gz HOQKSBQMNHUDQP-UXHICEINSA-N 1 2 356.466 2.907 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H]3CCC4(CCOCC4)CO3)CCO2)c1 ZINC000878322242 1014985456 /nfs/dbraw/zinc/98/54/56/1014985456.db2.gz HOQKSBQMNHUDQP-UXHICEINSA-N 1 2 356.466 2.907 20 30 FFEDLO COc1cc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)ccc1S(C)(=O)=O ZINC000151418151 984286337 /nfs/dbraw/zinc/28/63/37/984286337.db2.gz AWQUPILCTKYHNF-VOTSOKGWSA-N 1 2 370.430 2.951 20 30 FFEDLO CC(C)c1nnc2n1CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]2C ZINC000439290524 984372317 /nfs/dbraw/zinc/37/23/17/984372317.db2.gz YKEHXCHLMZBQNQ-AWEZNQCLSA-N 1 2 352.442 2.679 20 30 FFEDLO CC(C)c1nnc2n1CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]2C ZINC000439290524 984372326 /nfs/dbraw/zinc/37/23/26/984372326.db2.gz YKEHXCHLMZBQNQ-AWEZNQCLSA-N 1 2 352.442 2.679 20 30 FFEDLO CCCc1nnc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@@H](C)C#N)CCC[C@@H]23)s1 ZINC001107337221 984460735 /nfs/dbraw/zinc/46/07/35/984460735.db2.gz XQNZAXYHUOVZGG-PMUMKWKESA-N 1 2 361.515 2.511 20 30 FFEDLO CCCc1nnc(C[N@H+]2CC[C@@]3(CNC(=O)[C@@H](C)C#N)CCC[C@@H]23)s1 ZINC001107337221 984460737 /nfs/dbraw/zinc/46/07/37/984460737.db2.gz XQNZAXYHUOVZGG-PMUMKWKESA-N 1 2 361.515 2.511 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC/C=C\CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107551961 984679753 /nfs/dbraw/zinc/67/97/53/984679753.db2.gz YSKRMWNKOFUVHP-UIZHIOIMSA-N 1 2 356.470 2.728 20 30 FFEDLO C=C1CCC(C(=O)NC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000964524097 1015086016 /nfs/dbraw/zinc/08/60/16/1015086016.db2.gz SLLSGAYTXUUROE-KZNAEPCWSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CCC(C(=O)NC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000964524097 1015086021 /nfs/dbraw/zinc/08/60/21/1015086021.db2.gz SLLSGAYTXUUROE-KZNAEPCWSA-N 1 2 370.497 2.757 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc3cnccc3n2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088881197 985287292 /nfs/dbraw/zinc/28/72/92/985287292.db2.gz DBHJRZNZLBIDHL-BEFAXECRSA-N 1 2 371.444 2.894 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc3cnccc3n2)CC[N@H+]1Cc1ccccc1C#N ZINC001088881197 985287300 /nfs/dbraw/zinc/28/73/00/985287300.db2.gz DBHJRZNZLBIDHL-BEFAXECRSA-N 1 2 371.444 2.894 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC001107949748 985382839 /nfs/dbraw/zinc/38/28/39/985382839.db2.gz SKDAMDGGINLNIP-DXIQSLLYSA-N 1 2 354.494 2.657 20 30 FFEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC001107949748 985382848 /nfs/dbraw/zinc/38/28/48/985382848.db2.gz SKDAMDGGINLNIP-DXIQSLLYSA-N 1 2 354.494 2.657 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)cn3)[C@@H]2C)cc1 ZINC001088906010 985411420 /nfs/dbraw/zinc/41/14/20/985411420.db2.gz AZMASEHOERGSDE-QRWLVFNGSA-N 1 2 367.424 2.626 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)cn3)[C@@H]2C)cc1 ZINC001088906010 985411425 /nfs/dbraw/zinc/41/14/25/985411425.db2.gz AZMASEHOERGSDE-QRWLVFNGSA-N 1 2 367.424 2.626 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2csc(CC)n2)[C@@H]1C ZINC001088913944 985437396 /nfs/dbraw/zinc/43/73/96/985437396.db2.gz ZAPSFKBPGIOLKN-VKZRIFJHSA-N 1 2 363.527 2.766 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2csc(CC)n2)[C@@H]1C ZINC001088913944 985437400 /nfs/dbraw/zinc/43/74/00/985437400.db2.gz ZAPSFKBPGIOLKN-VKZRIFJHSA-N 1 2 363.527 2.766 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cccc3nc[nH]c32)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001088935808 985506771 /nfs/dbraw/zinc/50/67/71/985506771.db2.gz ACBFYYPAKGTGLQ-KDOFPFPSSA-N 1 2 359.433 2.827 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cccc3nc[nH]c32)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088935808 985506781 /nfs/dbraw/zinc/50/67/81/985506781.db2.gz ACBFYYPAKGTGLQ-KDOFPFPSSA-N 1 2 359.433 2.827 20 30 FFEDLO C[C@@H]1Cc2ccccc2C[N@@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000172927042 985714953 /nfs/dbraw/zinc/71/49/53/985714953.db2.gz PAUPDOLNHUBOKX-MRXNPFEDSA-N 1 2 374.444 2.727 20 30 FFEDLO C[C@@H]1Cc2ccccc2C[N@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000172927042 985714963 /nfs/dbraw/zinc/71/49/63/985714963.db2.gz PAUPDOLNHUBOKX-MRXNPFEDSA-N 1 2 374.444 2.727 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)no1 ZINC001088989480 985782970 /nfs/dbraw/zinc/78/29/70/985782970.db2.gz WJEDEFJNQFIUJJ-KDOFPFPSSA-N 1 2 355.413 2.620 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)no1 ZINC001088989480 985782976 /nfs/dbraw/zinc/78/29/76/985782976.db2.gz WJEDEFJNQFIUJJ-KDOFPFPSSA-N 1 2 355.413 2.620 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2nc(C)c(C)o2)[C@@H]1C ZINC001089006654 985919304 /nfs/dbraw/zinc/91/93/04/985919304.db2.gz QPCYRLCYZGOOHK-BEFAXECRSA-N 1 2 351.450 2.594 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2nc(C)c(C)o2)[C@@H]1C ZINC001089006654 985919311 /nfs/dbraw/zinc/91/93/11/985919311.db2.gz QPCYRLCYZGOOHK-BEFAXECRSA-N 1 2 351.450 2.594 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000073603705 986059488 /nfs/dbraw/zinc/05/94/88/986059488.db2.gz TZHKMAJXFDMAFJ-INIZCTEOSA-N 1 2 360.458 2.530 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001007359889 1015193383 /nfs/dbraw/zinc/19/33/83/1015193383.db2.gz HGJRUOCEWPUTIM-HBMCJLEFSA-N 1 2 370.468 2.739 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001007359889 1015193389 /nfs/dbraw/zinc/19/33/89/1015193389.db2.gz HGJRUOCEWPUTIM-HBMCJLEFSA-N 1 2 370.468 2.739 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001000196407 986783505 /nfs/dbraw/zinc/78/35/05/986783505.db2.gz CNFQTCDOTDHJAK-OHFALNGGSA-N 1 2 370.497 2.680 20 30 FFEDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2nn(C)cc2C#N)CC1 ZINC000878875838 1015263254 /nfs/dbraw/zinc/26/32/54/1015263254.db2.gz MQXSJYHIPXKZNV-QGZVFWFLSA-N 1 2 370.432 2.732 20 30 FFEDLO CC1(C)CCC(CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)CC1 ZINC001078293470 987123665 /nfs/dbraw/zinc/12/36/65/987123665.db2.gz AEPBFKUFYQMQMW-NHCUHLMSSA-N 1 2 368.521 2.806 20 30 FFEDLO CC1(C)CCC(CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)CC1 ZINC001078293470 987123668 /nfs/dbraw/zinc/12/36/68/987123668.db2.gz AEPBFKUFYQMQMW-NHCUHLMSSA-N 1 2 368.521 2.806 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](Cc2cccc3cccnc32)C1 ZINC001031077845 987579493 /nfs/dbraw/zinc/57/94/93/987579493.db2.gz MLQZHGZWNOZORO-FPOVZHCZSA-N 1 2 365.477 2.907 20 30 FFEDLO C[C@H](Cc1ccco1)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000914728117 987876204 /nfs/dbraw/zinc/87/62/04/987876204.db2.gz FKXOEXHOGCIFPH-CYBMUJFWSA-N 1 2 350.422 2.870 20 30 FFEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673284012 987965329 /nfs/dbraw/zinc/96/53/29/987965329.db2.gz VLKANHFSTCOUOD-FQEVSTJZSA-N 1 2 363.461 2.504 20 30 FFEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000673284012 987965334 /nfs/dbraw/zinc/96/53/34/987965334.db2.gz VLKANHFSTCOUOD-FQEVSTJZSA-N 1 2 363.461 2.504 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)N(C)[C@H](C)c2ccccc2OC)cc1 ZINC000762693204 988586979 /nfs/dbraw/zinc/58/69/79/988586979.db2.gz YQDFFWFIQQVCQI-CQSZACIVSA-N 1 2 371.437 2.560 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001061462432 988757464 /nfs/dbraw/zinc/75/74/64/988757464.db2.gz JOXWQTSKXWOHAN-KSZLIROESA-N 1 2 370.497 2.729 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001007919009 1015420369 /nfs/dbraw/zinc/42/03/69/1015420369.db2.gz LGLYBIXPGVYVNZ-PCCBWWKXSA-N 1 2 367.493 2.702 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001007919009 1015420374 /nfs/dbraw/zinc/42/03/74/1015420374.db2.gz LGLYBIXPGVYVNZ-PCCBWWKXSA-N 1 2 367.493 2.702 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2[C@H](O)c2ccccc2)c(C#N)c1C ZINC000879243545 1015432949 /nfs/dbraw/zinc/43/29/49/1015432949.db2.gz WLLSMVIFIAKOKX-PKOBYXMFSA-N 1 2 353.422 2.905 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2[C@H](O)c2ccccc2)c(C#N)c1C ZINC000879243545 1015432956 /nfs/dbraw/zinc/43/29/56/1015432956.db2.gz WLLSMVIFIAKOKX-PKOBYXMFSA-N 1 2 353.422 2.905 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C2=CCCC2)C1 ZINC000993623455 989323675 /nfs/dbraw/zinc/32/36/75/989323675.db2.gz IPVIEXJJLNRAIM-IAGOWNOFSA-N 1 2 370.497 2.543 20 30 FFEDLO COc1ccc(C(C)=NNc2[nH]cnc3ncnc2-3)cc1C[NH+]1CCCC1 ZINC000917555475 990242617 /nfs/dbraw/zinc/24/26/17/990242617.db2.gz LGEDJQNCNVYPLK-UHFFFAOYSA-N 1 2 365.441 2.793 20 30 FFEDLO C[C@H](Nc1ccc(C#N)cn1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001061889590 990513952 /nfs/dbraw/zinc/51/39/52/990513952.db2.gz IKOUOVKGJKSELQ-IAOVAPTHSA-N 1 2 364.453 2.519 20 30 FFEDLO C[C@H](Nc1ccc(C#N)cn1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001061889590 990513962 /nfs/dbraw/zinc/51/39/62/990513962.db2.gz IKOUOVKGJKSELQ-IAOVAPTHSA-N 1 2 364.453 2.519 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000508155967 990664196 /nfs/dbraw/zinc/66/41/96/990664196.db2.gz CKSNDJPXBIDZJP-LLVKDONJSA-N 1 2 363.343 2.725 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001063050886 991322650 /nfs/dbraw/zinc/32/26/50/991322650.db2.gz ODIRTMYEYJWOQB-LNLFQRSKSA-N 1 2 370.497 2.681 20 30 FFEDLO N#Cc1ccc(NCC[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC001063302745 991435996 /nfs/dbraw/zinc/43/59/96/991435996.db2.gz DSJSVVMISZNSAX-BMGDILEWSA-N 1 2 364.453 2.521 20 30 FFEDLO N#Cc1ccc(NCC[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC001063302745 991436001 /nfs/dbraw/zinc/43/60/01/991436001.db2.gz DSJSVVMISZNSAX-BMGDILEWSA-N 1 2 364.453 2.521 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879689861 1015639908 /nfs/dbraw/zinc/63/99/08/1015639908.db2.gz AGZCDWJAVXATFU-KXBFYZLASA-N 1 2 361.449 2.765 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879689861 1015639916 /nfs/dbraw/zinc/63/99/16/1015639916.db2.gz AGZCDWJAVXATFU-KXBFYZLASA-N 1 2 361.449 2.765 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(C)c(C)o2)C1 ZINC001079132579 991791170 /nfs/dbraw/zinc/79/11/70/991791170.db2.gz VAQBKBLIUOAHLB-WOJBJXKFSA-N 1 2 366.461 2.607 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(C)c(C)o2)C1 ZINC001079132579 991791181 /nfs/dbraw/zinc/79/11/81/991791181.db2.gz VAQBKBLIUOAHLB-WOJBJXKFSA-N 1 2 366.461 2.607 20 30 FFEDLO CC[C@H](CO)[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000879741855 1015661540 /nfs/dbraw/zinc/66/15/40/1015661540.db2.gz GJUOVYKHIPHQFV-LJQANCHMSA-N 1 2 372.490 2.605 20 30 FFEDLO CC[C@H](CO)[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000879741855 1015661547 /nfs/dbraw/zinc/66/15/47/1015661547.db2.gz GJUOVYKHIPHQFV-LJQANCHMSA-N 1 2 372.490 2.605 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2nsc3ccccc23)C1 ZINC001008575353 1015665711 /nfs/dbraw/zinc/66/57/11/1015665711.db2.gz QHHHKTAXPSXIKJ-KYJSFNMBSA-N 1 2 371.506 2.968 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2nsc3ccccc23)C1 ZINC001008575353 1015665717 /nfs/dbraw/zinc/66/57/17/1015665717.db2.gz QHHHKTAXPSXIKJ-KYJSFNMBSA-N 1 2 371.506 2.968 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001008598707 1015675078 /nfs/dbraw/zinc/67/50/78/1015675078.db2.gz OOBJALXYCKVQJM-PCCBWWKXSA-N 1 2 360.461 2.838 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001008598707 1015675082 /nfs/dbraw/zinc/67/50/82/1015675082.db2.gz OOBJALXYCKVQJM-PCCBWWKXSA-N 1 2 360.461 2.838 20 30 FFEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@](C)(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000182609934 992197281 /nfs/dbraw/zinc/19/72/81/992197281.db2.gz ATAVBIBPYWHNPZ-MRXNPFEDSA-N 1 2 371.359 2.818 20 30 FFEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000182609934 992197295 /nfs/dbraw/zinc/19/72/95/992197295.db2.gz ATAVBIBPYWHNPZ-MRXNPFEDSA-N 1 2 371.359 2.818 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1cncc(F)c1 ZINC001079556821 992207518 /nfs/dbraw/zinc/20/75/18/992207518.db2.gz AEAVUXCTHSWZEZ-AUUYWEPGSA-N 1 2 371.843 2.976 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1cncc(F)c1 ZINC001079556821 992207524 /nfs/dbraw/zinc/20/75/24/992207524.db2.gz AEAVUXCTHSWZEZ-AUUYWEPGSA-N 1 2 371.843 2.976 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079600133 992250096 /nfs/dbraw/zinc/25/00/96/992250096.db2.gz SOQCUHDDQNFSBS-AUUYWEPGSA-N 1 2 366.852 2.642 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079600133 992250108 /nfs/dbraw/zinc/25/01/08/992250108.db2.gz SOQCUHDDQNFSBS-AUUYWEPGSA-N 1 2 366.852 2.642 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001079726475 992364510 /nfs/dbraw/zinc/36/45/10/992364510.db2.gz XOWAEEVGOFTVNT-MSQAHXEGSA-N 1 2 364.287 2.530 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001079726475 992364521 /nfs/dbraw/zinc/36/45/21/992364521.db2.gz XOWAEEVGOFTVNT-MSQAHXEGSA-N 1 2 364.287 2.530 20 30 FFEDLO CCc1ccnc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)c1 ZINC001079752663 992394608 /nfs/dbraw/zinc/39/46/08/992394608.db2.gz RNQAUYOQTGIGMM-JLTOFOAXSA-N 1 2 366.440 2.905 20 30 FFEDLO CCc1ccnc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)c1 ZINC001079752663 992394614 /nfs/dbraw/zinc/39/46/14/992394614.db2.gz RNQAUYOQTGIGMM-JLTOFOAXSA-N 1 2 366.440 2.905 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001079851955 992535719 /nfs/dbraw/zinc/53/57/19/992535719.db2.gz PMCIJPGNRVROHG-GDBMZVCRSA-N 1 2 358.511 2.943 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001079851955 992535729 /nfs/dbraw/zinc/53/57/29/992535729.db2.gz PMCIJPGNRVROHG-GDBMZVCRSA-N 1 2 358.511 2.943 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001080114652 992748690 /nfs/dbraw/zinc/74/86/90/992748690.db2.gz VPZMLMWQCRZDRK-UDUZWTERSA-N 1 2 360.885 2.916 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001080114652 992748700 /nfs/dbraw/zinc/74/87/00/992748700.db2.gz VPZMLMWQCRZDRK-UDUZWTERSA-N 1 2 360.885 2.916 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCO[C@@H](C(F)(F)F)CC3)C2=O)cc1 ZINC000880053484 1015744691 /nfs/dbraw/zinc/74/46/91/1015744691.db2.gz NMWOLNCQQRDWBB-JKSUJKDBSA-N 1 2 367.371 2.707 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCO[C@@H](C(F)(F)F)CC3)C2=O)cc1 ZINC000880053484 1015744697 /nfs/dbraw/zinc/74/46/97/1015744697.db2.gz NMWOLNCQQRDWBB-JKSUJKDBSA-N 1 2 367.371 2.707 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000943336512 992982184 /nfs/dbraw/zinc/98/21/84/992982184.db2.gz KMTAAKXRFKNFGP-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000943336512 992982191 /nfs/dbraw/zinc/98/21/91/992982191.db2.gz KMTAAKXRFKNFGP-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(C)s3)C[C@H]2C)cc1 ZINC001080575132 993181855 /nfs/dbraw/zinc/18/18/55/993181855.db2.gz GSWOGPLOQPICTR-RDTXWAMCSA-N 1 2 369.490 2.714 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ncc(C)s3)C[C@H]2C)cc1 ZINC001080575132 993181860 /nfs/dbraw/zinc/18/18/60/993181860.db2.gz GSWOGPLOQPICTR-RDTXWAMCSA-N 1 2 369.490 2.714 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)oc2C)C[C@H]1C ZINC001080589708 993195819 /nfs/dbraw/zinc/19/58/19/993195819.db2.gz HQEQTQJIQKGMOI-TWILYEHCSA-N 1 2 361.486 2.599 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2nc(C)oc2C)C[C@H]1C ZINC001080589708 993195825 /nfs/dbraw/zinc/19/58/25/993195825.db2.gz HQEQTQJIQKGMOI-TWILYEHCSA-N 1 2 361.486 2.599 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)COC3)C1 ZINC001080600396 993219099 /nfs/dbraw/zinc/21/90/99/993219099.db2.gz AIWDAMALCUONBJ-BDJLRTHQSA-N 1 2 365.271 2.676 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)COC3)C1 ZINC001080600396 993219106 /nfs/dbraw/zinc/21/91/06/993219106.db2.gz AIWDAMALCUONBJ-BDJLRTHQSA-N 1 2 365.271 2.676 20 30 FFEDLO COc1ccc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)o1 ZINC001080665090 993256496 /nfs/dbraw/zinc/25/64/96/993256496.db2.gz AQZNFHIFURJCBF-RHSMWYFYSA-N 1 2 356.397 2.529 20 30 FFEDLO COc1ccc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)o1 ZINC001080665090 993256502 /nfs/dbraw/zinc/25/65/02/993256502.db2.gz AQZNFHIFURJCBF-RHSMWYFYSA-N 1 2 356.397 2.529 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2cccnc2)C1 ZINC001080800085 993361371 /nfs/dbraw/zinc/36/13/71/993361371.db2.gz CBUOEBOBJLFPEJ-OSAQELSMSA-N 1 2 352.276 2.530 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2cccnc2)C1 ZINC001080800085 993361374 /nfs/dbraw/zinc/36/13/74/993361374.db2.gz CBUOEBOBJLFPEJ-OSAQELSMSA-N 1 2 352.276 2.530 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001080929534 993486268 /nfs/dbraw/zinc/48/62/68/993486268.db2.gz KCLJHPGETZZIBN-KZULUSFZSA-N 1 2 370.428 2.807 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001080929534 993486270 /nfs/dbraw/zinc/48/62/70/993486270.db2.gz KCLJHPGETZZIBN-KZULUSFZSA-N 1 2 370.428 2.807 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)[C@H]1CC1(C)C ZINC001081535129 993872625 /nfs/dbraw/zinc/87/26/25/993872625.db2.gz RKRSRSRNCAJPMR-KZNAEPCWSA-N 1 2 360.885 2.553 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)[C@H]1CC1(C)C ZINC001081535129 993872627 /nfs/dbraw/zinc/87/26/27/993872627.db2.gz RKRSRSRNCAJPMR-KZNAEPCWSA-N 1 2 360.885 2.553 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@]1(C)CC=CCC1 ZINC001081730901 993941219 /nfs/dbraw/zinc/94/12/19/993941219.db2.gz REFLUBZXOUBYAE-SFHLNBCPSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@]1(C)CC=CCC1 ZINC001081730901 993941227 /nfs/dbraw/zinc/94/12/27/993941227.db2.gz REFLUBZXOUBYAE-SFHLNBCPSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001081970709 994080947 /nfs/dbraw/zinc/08/09/47/994080947.db2.gz WTQVCISCYOQXOT-VNXMGFANSA-N 1 2 366.505 2.680 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001081970709 994080958 /nfs/dbraw/zinc/08/09/58/994080958.db2.gz WTQVCISCYOQXOT-VNXMGFANSA-N 1 2 366.505 2.680 20 30 FFEDLO C#CCCCCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001082145268 994207722 /nfs/dbraw/zinc/20/77/22/994207722.db2.gz UWHJWOQZPXVKLA-RCCFBDPRSA-N 1 2 370.497 2.594 20 30 FFEDLO C#CCCCCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001082145268 994207733 /nfs/dbraw/zinc/20/77/33/994207733.db2.gz UWHJWOQZPXVKLA-RCCFBDPRSA-N 1 2 370.497 2.594 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H](F)c1ccccc1 ZINC001082183630 994260519 /nfs/dbraw/zinc/26/05/19/994260519.db2.gz LWIPYSXZHGQERO-NJYVYQBISA-N 1 2 366.436 2.564 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H](F)c1ccccc1 ZINC001082183630 994260524 /nfs/dbraw/zinc/26/05/24/994260524.db2.gz LWIPYSXZHGQERO-NJYVYQBISA-N 1 2 366.436 2.564 20 30 FFEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccnc(C#N)c3)CC2)cc1 ZINC000880540074 1015866628 /nfs/dbraw/zinc/86/66/28/1015866628.db2.gz QOQMWDXWUQUJHO-UHFFFAOYSA-N 1 2 364.453 2.810 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccc(CF)cc1 ZINC001082390036 994514186 /nfs/dbraw/zinc/51/41/86/994514186.db2.gz VXTNOXUVUGAVAO-WOJBJXKFSA-N 1 2 367.424 2.657 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccc(CF)cc1 ZINC001082390036 994514198 /nfs/dbraw/zinc/51/41/98/994514198.db2.gz VXTNOXUVUGAVAO-WOJBJXKFSA-N 1 2 367.424 2.657 20 30 FFEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082524955 994823689 /nfs/dbraw/zinc/82/36/89/994823689.db2.gz RXPULDIJTBMLNZ-FZQKWOKYSA-N 1 2 361.314 2.534 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082524955 994823691 /nfs/dbraw/zinc/82/36/91/994823691.db2.gz RXPULDIJTBMLNZ-FZQKWOKYSA-N 1 2 361.314 2.534 20 30 FFEDLO N#Cc1ccc2c(c1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c1)C2 ZINC001132858047 995164832 /nfs/dbraw/zinc/16/48/32/995164832.db2.gz QGOPKSRZAJTMNU-QGZVFWFLSA-N 1 2 373.372 2.549 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)nnn3CC)C2 ZINC001096525458 1015978592 /nfs/dbraw/zinc/97/85/92/1015978592.db2.gz IFOXMJDHPCTKED-YCPHGPKFSA-N 1 2 359.861 2.539 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)nnn3CC)C2 ZINC001096525458 1015978598 /nfs/dbraw/zinc/97/85/98/1015978598.db2.gz IFOXMJDHPCTKED-YCPHGPKFSA-N 1 2 359.861 2.539 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001096532855 1015989357 /nfs/dbraw/zinc/98/93/57/1015989357.db2.gz ZWYTZQDRUKHDGE-HOJAQTOUSA-N 1 2 363.461 2.932 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001096532855 1015989363 /nfs/dbraw/zinc/98/93/63/1015989363.db2.gz ZWYTZQDRUKHDGE-HOJAQTOUSA-N 1 2 363.461 2.932 20 30 FFEDLO O=C(CCC1CCC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083041341 996038721 /nfs/dbraw/zinc/03/87/21/996038721.db2.gz CZHBBEIMGXELOF-LEWJYISDSA-N 1 2 352.478 2.530 20 30 FFEDLO O=C(CCC1CCC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083041341 996038724 /nfs/dbraw/zinc/03/87/24/996038724.db2.gz CZHBBEIMGXELOF-LEWJYISDSA-N 1 2 352.478 2.530 20 30 FFEDLO C/C=C(\C)C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001083043885 996042264 /nfs/dbraw/zinc/04/22/64/996042264.db2.gz QTDNIJFMPOKPGR-HZQXIFESSA-N 1 2 358.869 2.569 20 30 FFEDLO C/C=C(\C)C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001083043885 996042272 /nfs/dbraw/zinc/04/22/72/996042272.db2.gz QTDNIJFMPOKPGR-HZQXIFESSA-N 1 2 358.869 2.569 20 30 FFEDLO CC1(C)CC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001083169741 996134039 /nfs/dbraw/zinc/13/40/39/996134039.db2.gz DTLZIQLMZUJOOV-YTQUADARSA-N 1 2 371.456 2.545 20 30 FFEDLO CC1(C)CC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001083169741 996134043 /nfs/dbraw/zinc/13/40/43/996134043.db2.gz DTLZIQLMZUJOOV-YTQUADARSA-N 1 2 371.456 2.545 20 30 FFEDLO CC1=C(C)C[C@@](C)(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)CC1 ZINC001084105013 996256463 /nfs/dbraw/zinc/25/64/63/996256463.db2.gz PZASGDDBTWMBHG-GIWBLDEGSA-N 1 2 366.505 2.726 20 30 FFEDLO CC1=C(C)C[C@@](C)(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)CC1 ZINC001084105013 996256469 /nfs/dbraw/zinc/25/64/69/996256469.db2.gz PZASGDDBTWMBHG-GIWBLDEGSA-N 1 2 366.505 2.726 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccccc4O)[C@@H]3C2)c1 ZINC001084196741 996328816 /nfs/dbraw/zinc/32/88/16/996328816.db2.gz UQFZHZLYZKIVTD-DNVCBOLYSA-N 1 2 365.408 2.749 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccccc4O)[C@@H]3C2)c1 ZINC001084196741 996328819 /nfs/dbraw/zinc/32/88/19/996328819.db2.gz UQFZHZLYZKIVTD-DNVCBOLYSA-N 1 2 365.408 2.749 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccccc4O)[C@@H]3C2)c(F)c1 ZINC001084196576 996329646 /nfs/dbraw/zinc/32/96/46/996329646.db2.gz OIAUAEIDWUBWOE-VQIMIIECSA-N 1 2 365.408 2.749 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccccc4O)[C@@H]3C2)c(F)c1 ZINC001084196576 996329650 /nfs/dbraw/zinc/32/96/50/996329650.db2.gz OIAUAEIDWUBWOE-VQIMIIECSA-N 1 2 365.408 2.749 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccncc4F)[C@@H]3C2)s1 ZINC001084249259 996354181 /nfs/dbraw/zinc/35/41/81/996354181.db2.gz QPAICXHFQPITCV-SJKOYZFVSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccncc4F)[C@@H]3C2)s1 ZINC001084249259 996354188 /nfs/dbraw/zinc/35/41/88/996354188.db2.gz QPAICXHFQPITCV-SJKOYZFVSA-N 1 2 356.426 2.500 20 30 FFEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@H]21 ZINC001084232809 996382222 /nfs/dbraw/zinc/38/22/22/996382222.db2.gz IUYKOMRHESPMSO-DDUZABMNSA-N 1 2 368.412 2.673 20 30 FFEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@H]21 ZINC001084232809 996382225 /nfs/dbraw/zinc/38/22/25/996382225.db2.gz IUYKOMRHESPMSO-DDUZABMNSA-N 1 2 368.412 2.673 20 30 FFEDLO Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001084233202 996383510 /nfs/dbraw/zinc/38/35/10/996383510.db2.gz WYVAIKYZNVFQHS-JGGQBBKZSA-N 1 2 370.478 2.904 20 30 FFEDLO Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001084233202 996383516 /nfs/dbraw/zinc/38/35/16/996383516.db2.gz WYVAIKYZNVFQHS-JGGQBBKZSA-N 1 2 370.478 2.904 20 30 FFEDLO CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001084236242 996386536 /nfs/dbraw/zinc/38/65/36/996386536.db2.gz BUVHKFKLDXGRRI-CKEIUWERSA-N 1 2 361.873 2.931 20 30 FFEDLO CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001084236242 996386542 /nfs/dbraw/zinc/38/65/42/996386542.db2.gz BUVHKFKLDXGRRI-CKEIUWERSA-N 1 2 361.873 2.931 20 30 FFEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)cc4F)C[C@H]32)c[nH]1 ZINC001084289220 996394936 /nfs/dbraw/zinc/39/49/36/996394936.db2.gz VFHVVZJLBVEHQK-FZKQIMNGSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)cc4F)C[C@H]32)c[nH]1 ZINC001084289220 996394939 /nfs/dbraw/zinc/39/49/39/996394939.db2.gz VFHVVZJLBVEHQK-FZKQIMNGSA-N 1 2 356.376 2.511 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccc(F)cc3F)[C@@H]2C1 ZINC001084387288 996528288 /nfs/dbraw/zinc/52/82/88/996528288.db2.gz BHQIDVPFBQCBAD-IUODEOHRSA-N 1 2 356.800 2.629 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc(F)cc3F)[C@@H]2C1 ZINC001084387288 996528294 /nfs/dbraw/zinc/52/82/94/996528294.db2.gz BHQIDVPFBQCBAD-IUODEOHRSA-N 1 2 356.800 2.629 20 30 FFEDLO Cc1[nH]nc(Cl)c1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084395752 996538861 /nfs/dbraw/zinc/53/88/61/996538861.db2.gz CSSIJUIDVVQFMW-IAGOWNOFSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1[nH]nc(Cl)c1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084395752 996538865 /nfs/dbraw/zinc/53/88/65/996538865.db2.gz CSSIJUIDVVQFMW-IAGOWNOFSA-N 1 2 368.868 2.570 20 30 FFEDLO CCCc1n[nH]cc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084473104 996585437 /nfs/dbraw/zinc/58/54/37/996585437.db2.gz JEIVLJLDHUFSLZ-YLJYHZDGSA-N 1 2 363.465 2.580 20 30 FFEDLO CCCc1n[nH]cc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084473104 996585441 /nfs/dbraw/zinc/58/54/41/996585441.db2.gz JEIVLJLDHUFSLZ-YLJYHZDGSA-N 1 2 363.465 2.580 20 30 FFEDLO N#Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cc(F)c[nH]4)[C@@H]3C2)ccc1F ZINC001084527997 996662209 /nfs/dbraw/zinc/66/22/09/996662209.db2.gz CEBBBFSSNZFJFH-FZKQIMNGSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(F)c[nH]4)[C@@H]3C2)ccc1F ZINC001084527997 996662212 /nfs/dbraw/zinc/66/22/12/996662212.db2.gz CEBBBFSSNZFJFH-FZKQIMNGSA-N 1 2 356.376 2.511 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ncc(C)s4)C[C@H]32)cc1 ZINC001084567968 996682286 /nfs/dbraw/zinc/68/22/86/996682286.db2.gz RWPVTYGQPUMNQE-QZTJIDSGSA-N 1 2 351.475 2.779 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ncc(C)s4)C[C@H]32)cc1 ZINC001084567968 996682289 /nfs/dbraw/zinc/68/22/89/996682289.db2.gz RWPVTYGQPUMNQE-QZTJIDSGSA-N 1 2 351.475 2.779 20 30 FFEDLO C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21)C(F)(F)F ZINC001084581747 996695628 /nfs/dbraw/zinc/69/56/28/996695628.db2.gz SSHGYNVNXVCXJZ-DAXOMENPSA-N 1 2 351.372 2.789 20 30 FFEDLO C[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21)C(F)(F)F ZINC001084581747 996695630 /nfs/dbraw/zinc/69/56/30/996695630.db2.gz SSHGYNVNXVCXJZ-DAXOMENPSA-N 1 2 351.372 2.789 20 30 FFEDLO C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21)C(F)(F)F ZINC001084581669 996696034 /nfs/dbraw/zinc/69/60/34/996696034.db2.gz RDAPGBWMNVZDIM-AXAPSJFSSA-N 1 2 369.362 2.928 20 30 FFEDLO C[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21)C(F)(F)F ZINC001084581669 996696038 /nfs/dbraw/zinc/69/60/38/996696038.db2.gz RDAPGBWMNVZDIM-AXAPSJFSSA-N 1 2 369.362 2.928 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3cccc(C)c3C)C[C@H]21 ZINC001084574624 996703252 /nfs/dbraw/zinc/70/32/52/996703252.db2.gz FXPRMNOKTICDRA-IEBWSBKVSA-N 1 2 369.509 2.987 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3cccc(C)c3C)C[C@H]21 ZINC001084574624 996703254 /nfs/dbraw/zinc/70/32/54/996703254.db2.gz FXPRMNOKTICDRA-IEBWSBKVSA-N 1 2 369.509 2.987 20 30 FFEDLO Cc1ncccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084618902 996733954 /nfs/dbraw/zinc/73/39/54/996733954.db2.gz MOQNQKWAYVGVGI-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1ncccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084618902 996733958 /nfs/dbraw/zinc/73/39/58/996733958.db2.gz MOQNQKWAYVGVGI-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3Cc4ccccc43)[C@@H]2C1 ZINC001084619382 996734992 /nfs/dbraw/zinc/73/49/92/996734992.db2.gz BYAXLSLBIGFSIQ-BAGYTPMASA-N 1 2 357.457 2.931 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3Cc4ccccc43)[C@@H]2C1 ZINC001084619382 996734996 /nfs/dbraw/zinc/73/49/96/996734996.db2.gz BYAXLSLBIGFSIQ-BAGYTPMASA-N 1 2 357.457 2.931 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)Nc4ccc(C)cc4)C[C@H]32)C1 ZINC001084645305 996758241 /nfs/dbraw/zinc/75/82/41/996758241.db2.gz NDFCGTWHIJZPAQ-IEBWSBKVSA-N 1 2 367.493 2.823 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](CC(=O)Nc4ccc(C)cc4)C[C@H]32)C1 ZINC001084645305 996758242 /nfs/dbraw/zinc/75/82/42/996758242.db2.gz NDFCGTWHIJZPAQ-IEBWSBKVSA-N 1 2 367.493 2.823 20 30 FFEDLO CC(C)n1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)n1 ZINC001084696069 996954806 /nfs/dbraw/zinc/95/48/06/996954806.db2.gz XUSXVDGVLNABMV-UYAOXDASSA-N 1 2 363.465 2.682 20 30 FFEDLO CC(C)n1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)n1 ZINC001084696069 996954816 /nfs/dbraw/zinc/95/48/16/996954816.db2.gz XUSXVDGVLNABMV-UYAOXDASSA-N 1 2 363.465 2.682 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3csc(C4CC4)n3)[C@@H]2C1 ZINC001084704324 996967475 /nfs/dbraw/zinc/96/74/75/996967475.db2.gz UISNRLFFKCIQNJ-UKRRQHHQSA-N 1 2 351.903 2.848 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3csc(C4CC4)n3)[C@@H]2C1 ZINC001084704324 996967489 /nfs/dbraw/zinc/96/74/89/996967489.db2.gz UISNRLFFKCIQNJ-UKRRQHHQSA-N 1 2 351.903 2.848 20 30 FFEDLO CCOC(=O)c1c(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)cnn1C ZINC001136912547 997024522 /nfs/dbraw/zinc/02/45/22/997024522.db2.gz RUNPYPPZOPTMKV-SFHVURJKSA-N 1 2 368.437 2.512 20 30 FFEDLO CCOC(=O)c1c(C[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)cnn1C ZINC001136912547 997024531 /nfs/dbraw/zinc/02/45/31/997024531.db2.gz RUNPYPPZOPTMKV-SFHVURJKSA-N 1 2 368.437 2.512 20 30 FFEDLO CCc1nc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)c(C)o1 ZINC001084716439 997038263 /nfs/dbraw/zinc/03/82/63/997038263.db2.gz FJXMHMPKFUOARF-CZUORRHYSA-N 1 2 370.478 2.825 20 30 FFEDLO CCc1nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)c(C)o1 ZINC001084716439 997038275 /nfs/dbraw/zinc/03/82/75/997038275.db2.gz FJXMHMPKFUOARF-CZUORRHYSA-N 1 2 370.478 2.825 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000824872046 997137385 /nfs/dbraw/zinc/13/73/85/997137385.db2.gz OBJWHHJTQWOBDV-UHFFFAOYSA-N 1 2 367.490 2.801 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ncccc4F)[C@@H]3C2)c(F)c1 ZINC001084739747 997144357 /nfs/dbraw/zinc/14/43/57/997144357.db2.gz ZZKFUMODEGQQLX-CRAIPNDOSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ncccc4F)[C@@H]3C2)c(F)c1 ZINC001084739747 997144364 /nfs/dbraw/zinc/14/43/64/997144364.db2.gz ZZKFUMODEGQQLX-CRAIPNDOSA-N 1 2 368.387 2.578 20 30 FFEDLO C=CCCOCC(=O)N1C[C@@H](c2ccccc2)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001090853466 997325394 /nfs/dbraw/zinc/32/53/94/997325394.db2.gz JHKULOKTDWMPHH-RBUKOAKNSA-N 1 2 366.465 2.784 20 30 FFEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)c(C)o3)C[C@H]21 ZINC001084798692 997409089 /nfs/dbraw/zinc/40/90/89/997409089.db2.gz XYPAELUMGBJZEI-WOJBJXKFSA-N 1 2 363.461 2.548 20 30 FFEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)c(C)o3)C[C@H]21 ZINC001084798692 997409100 /nfs/dbraw/zinc/40/91/00/997409100.db2.gz XYPAELUMGBJZEI-WOJBJXKFSA-N 1 2 363.461 2.548 20 30 FFEDLO Cc1ccc(C(F)(F)F)c(C[NH+]2CCN(c3nccnc3C#N)CC2)c1 ZINC001143680662 997521914 /nfs/dbraw/zinc/52/19/14/997521914.db2.gz HOHYYYPMIUGKFL-UHFFFAOYSA-N 1 2 361.371 2.998 20 30 FFEDLO O=C(CCS)NCc1c[nH+]cn1Cc1cccc(Br)c1 ZINC001143993509 997922355 /nfs/dbraw/zinc/92/23/55/997922355.db2.gz VDQBJIXLGWXRKN-UHFFFAOYSA-N 1 2 354.273 2.630 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3ccn(C4CCCC4)n3)[C@H]2C1 ZINC001084906286 997985360 /nfs/dbraw/zinc/98/53/60/997985360.db2.gz KQZZGFUWYQITFM-FCEWJHQRSA-N 1 2 355.486 2.581 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccn(C4CCCC4)n3)[C@H]2C1 ZINC001084906286 997985364 /nfs/dbraw/zinc/98/53/64/997985364.db2.gz KQZZGFUWYQITFM-FCEWJHQRSA-N 1 2 355.486 2.581 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(-c4cccs4)on3)[C@H]2C1 ZINC001084904709 997998077 /nfs/dbraw/zinc/99/80/77/997998077.db2.gz WKMJTNUDZDJFMS-LZWOXQAQSA-N 1 2 370.478 2.986 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(-c4cccs4)on3)[C@H]2C1 ZINC001084904709 997998085 /nfs/dbraw/zinc/99/80/85/997998085.db2.gz WKMJTNUDZDJFMS-LZWOXQAQSA-N 1 2 370.478 2.986 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cn4c(cccc4C)n3)C2)CC1 ZINC001137295186 1016176705 /nfs/dbraw/zinc/17/67/05/1016176705.db2.gz BVEIWPHOYAXIKA-UHFFFAOYSA-N 1 2 354.454 2.863 20 30 FFEDLO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1n[nH]c3ccc(F)cc13)CC2 ZINC001144191721 998115701 /nfs/dbraw/zinc/11/57/01/998115701.db2.gz XOWRRKYDDHBDLA-UHFFFAOYSA-N 1 2 358.417 2.922 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4ccns4)C[C@@H]32)c(F)c1 ZINC001084952010 998295203 /nfs/dbraw/zinc/29/52/03/998295203.db2.gz ONXRMIPGWXWDTL-PBHICJAKSA-N 1 2 370.453 2.890 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4ccns4)C[C@@H]32)c(F)c1 ZINC001084952010 998295213 /nfs/dbraw/zinc/29/52/13/998295213.db2.gz ONXRMIPGWXWDTL-PBHICJAKSA-N 1 2 370.453 2.890 20 30 FFEDLO COC(=O)[C@@](C)(Cc1ccc(O)cc1)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171183036 998548421 /nfs/dbraw/zinc/54/84/21/998548421.db2.gz AMLDWWUCSOPGLR-QVKFZJNVSA-N 1 2 352.434 2.959 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c(F)c1 ZINC001144444113 998559937 /nfs/dbraw/zinc/55/99/37/998559937.db2.gz LJOKMFIAGKMUMB-UHFFFAOYSA-N 1 2 353.397 2.806 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(CC4CC4)no3)[C@H]2C1 ZINC001085006246 998659320 /nfs/dbraw/zinc/65/93/20/998659320.db2.gz ITPKTNIVTWLMEA-CVEARBPZSA-N 1 2 358.486 2.657 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(CC4CC4)no3)[C@H]2C1 ZINC001085006246 998659322 /nfs/dbraw/zinc/65/93/22/998659322.db2.gz ITPKTNIVTWLMEA-CVEARBPZSA-N 1 2 358.486 2.657 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C(C)C)n3C)[C@H]2C1 ZINC001085006355 998659439 /nfs/dbraw/zinc/65/94/39/998659439.db2.gz PONCUZUNOQILAZ-CVEARBPZSA-N 1 2 359.518 2.574 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C(C)C)n3C)[C@H]2C1 ZINC001085006355 998659442 /nfs/dbraw/zinc/65/94/42/998659442.db2.gz PONCUZUNOQILAZ-CVEARBPZSA-N 1 2 359.518 2.574 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3csc(C)n3)C[C@@H]21 ZINC001085016419 998677732 /nfs/dbraw/zinc/67/77/32/998677732.db2.gz RPWHMMWLEIOPSW-OCCSQVGLSA-N 1 2 370.316 2.897 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3csc(C)n3)C[C@@H]21 ZINC001085016419 998677734 /nfs/dbraw/zinc/67/77/34/998677734.db2.gz RPWHMMWLEIOPSW-OCCSQVGLSA-N 1 2 370.316 2.897 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3conc3CC)C[C@@H]21 ZINC001085025507 998696936 /nfs/dbraw/zinc/69/69/36/998696936.db2.gz IALRUFZPZBGVMW-DOMZBBRYSA-N 1 2 368.275 2.682 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3conc3CC)C[C@@H]21 ZINC001085025507 998696941 /nfs/dbraw/zinc/69/69/41/998696941.db2.gz IALRUFZPZBGVMW-DOMZBBRYSA-N 1 2 368.275 2.682 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)C3(C)CCOCC3)C[C@@H]21 ZINC001085057376 998794630 /nfs/dbraw/zinc/79/46/30/998794630.db2.gz YMADEFKYXNJWHV-CABCVRRESA-N 1 2 371.319 2.635 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3(C)CCOCC3)C[C@@H]21 ZINC001085057376 998794632 /nfs/dbraw/zinc/79/46/32/998794632.db2.gz YMADEFKYXNJWHV-CABCVRRESA-N 1 2 371.319 2.635 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001085825562 999642683 /nfs/dbraw/zinc/64/26/83/999642683.db2.gz OZNHHEZMBAGWJV-LZQZEXGQSA-N 1 2 360.885 2.649 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001085825562 999642687 /nfs/dbraw/zinc/64/26/87/999642687.db2.gz OZNHHEZMBAGWJV-LZQZEXGQSA-N 1 2 360.885 2.649 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1oc(CC)nc1C ZINC001085868898 999666145 /nfs/dbraw/zinc/66/61/45/999666145.db2.gz CFPWUTPWNCZVTC-BXWFABGCSA-N 1 2 361.486 2.559 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1oc(CC)nc1C ZINC001085868898 999666146 /nfs/dbraw/zinc/66/61/46/999666146.db2.gz CFPWUTPWNCZVTC-BXWFABGCSA-N 1 2 361.486 2.559 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085869580 999666625 /nfs/dbraw/zinc/66/66/25/999666625.db2.gz UYSMKAFOWAZOHZ-BJLQDIEVSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085869580 999666626 /nfs/dbraw/zinc/66/66/26/999666626.db2.gz UYSMKAFOWAZOHZ-BJLQDIEVSA-N 1 2 371.456 2.711 20 30 FFEDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000745085163 999891105 /nfs/dbraw/zinc/89/11/05/999891105.db2.gz CVSBUDKCSCQKOB-IBGZPJMESA-N 1 2 371.481 2.968 20 30 FFEDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000745085163 999891106 /nfs/dbraw/zinc/89/11/06/999891106.db2.gz CVSBUDKCSCQKOB-IBGZPJMESA-N 1 2 371.481 2.968 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001049976525 1016369537 /nfs/dbraw/zinc/36/95/37/1016369537.db2.gz MBLROGRFMQVTEP-LNLFQRSKSA-N 1 2 358.486 2.949 20 30 FFEDLO CSc1nc(C[N@@H+]2CCC[C@]23CCN(CCCC#N)C3=O)ccc1C#N ZINC001276131664 1016386104 /nfs/dbraw/zinc/38/61/04/1016386104.db2.gz SCDFVLCJSYBUAC-LJQANCHMSA-N 1 2 369.494 2.546 20 30 FFEDLO CSc1nc(C[N@H+]2CCC[C@]23CCN(CCCC#N)C3=O)ccc1C#N ZINC001276131664 1016386109 /nfs/dbraw/zinc/38/61/09/1016386109.db2.gz SCDFVLCJSYBUAC-LJQANCHMSA-N 1 2 369.494 2.546 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109019786 1000151227 /nfs/dbraw/zinc/15/12/27/1000151227.db2.gz KTQKHHHIJHSHGY-JBCDFXQESA-N 1 2 373.472 2.980 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109019786 1000151229 /nfs/dbraw/zinc/15/12/29/1000151229.db2.gz KTQKHHHIJHSHGY-JBCDFXQESA-N 1 2 373.472 2.980 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1oc(C)cc1C)C2 ZINC001109125045 1000172370 /nfs/dbraw/zinc/17/23/70/1000172370.db2.gz GYBBHNJEHSZIPP-SQNIBIBYSA-N 1 2 373.497 2.656 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1oc(C)cc1C)C2 ZINC001109125045 1000172371 /nfs/dbraw/zinc/17/23/71/1000172371.db2.gz GYBBHNJEHSZIPP-SQNIBIBYSA-N 1 2 373.497 2.656 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(F)cccc1F ZINC001109213028 1000188354 /nfs/dbraw/zinc/18/83/54/1000188354.db2.gz LWYWECADRSAZSL-HFYSXDIOSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(F)cccc1F ZINC001109213028 1000188356 /nfs/dbraw/zinc/18/83/56/1000188356.db2.gz LWYWECADRSAZSL-HFYSXDIOSA-N 1 2 350.409 2.513 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F)C1CC1 ZINC001109294067 1000239070 /nfs/dbraw/zinc/23/90/70/1000239070.db2.gz MLAHFPFLWMUHQE-BTHPGYMESA-N 1 2 371.456 2.734 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F)C1CC1 ZINC001109294067 1000239078 /nfs/dbraw/zinc/23/90/78/1000239078.db2.gz MLAHFPFLWMUHQE-BTHPGYMESA-N 1 2 371.456 2.734 20 30 FFEDLO COc1c(F)ccc(F)c1C[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001144755707 1000241241 /nfs/dbraw/zinc/24/12/41/1000241241.db2.gz RJHPWDYHHFCTHY-UHFFFAOYSA-N 1 2 358.392 2.952 20 30 FFEDLO COc1c(F)ccc(F)c1C[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001144755707 1000241250 /nfs/dbraw/zinc/24/12/50/1000241250.db2.gz RJHPWDYHHFCTHY-UHFFFAOYSA-N 1 2 358.392 2.952 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC001091295532 1000380906 /nfs/dbraw/zinc/38/09/06/1000380906.db2.gz AJJVOLSPQRQAIM-USXIJHARSA-N 1 2 352.442 2.640 20 30 FFEDLO Cc1ccc(C#N)c(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001091298982 1000384013 /nfs/dbraw/zinc/38/40/13/1000384013.db2.gz VKJQCNATFXWNCG-MORSLUCNSA-N 1 2 366.469 2.703 20 30 FFEDLO Cc1ccc(C#N)c(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001091298982 1000384017 /nfs/dbraw/zinc/38/40/17/1000384017.db2.gz VKJQCNATFXWNCG-MORSLUCNSA-N 1 2 366.469 2.703 20 30 FFEDLO NC(=O)c1ccc(C(=[NH2+])Nc2cnc(F)c(OCc3ccccc3)c2)cc1 ZINC001171256773 1000467050 /nfs/dbraw/zinc/46/70/50/1000467050.db2.gz MCNCQYJWMVSODB-UHFFFAOYSA-N 1 2 364.380 2.936 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC([C@H](O)c3ccc(OC)cc3)CC2)nn1 ZINC000846915863 1000487994 /nfs/dbraw/zinc/48/79/94/1000487994.db2.gz ZCSCETJGBPPKTI-HXUWFJFHSA-N 1 2 356.470 2.808 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OC)c1cccc(OC)c1)C2 ZINC001109569894 1000656507 /nfs/dbraw/zinc/65/65/07/1000656507.db2.gz NXNSCZUXJPIZHJ-UBDQQSCGSA-N 1 2 364.873 2.857 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OC)c1cccc(OC)c1)C2 ZINC001109569894 1000656511 /nfs/dbraw/zinc/65/65/11/1000656511.db2.gz NXNSCZUXJPIZHJ-UBDQQSCGSA-N 1 2 364.873 2.857 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1cccc(C)c1 ZINC001109657714 1000796053 /nfs/dbraw/zinc/79/60/53/1000796053.db2.gz BQJOGHSGQWNORK-AABGKKOBSA-N 1 2 369.509 2.689 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1cccc(C)c1 ZINC001109657714 1000796060 /nfs/dbraw/zinc/79/60/60/1000796060.db2.gz BQJOGHSGQWNORK-AABGKKOBSA-N 1 2 369.509 2.689 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001109683169 1000838931 /nfs/dbraw/zinc/83/89/31/1000838931.db2.gz AABRRJOBKHVNIN-MSQSPTIYSA-N 1 2 373.541 2.615 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001109683169 1000838935 /nfs/dbraw/zinc/83/89/35/1000838935.db2.gz AABRRJOBKHVNIN-MSQSPTIYSA-N 1 2 373.541 2.615 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccncc2)C3)ccc1F ZINC001096731446 1016470359 /nfs/dbraw/zinc/47/03/59/1016470359.db2.gz YHUWWSQHGIUBNG-QRQLOZEOSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccncc2)C3)ccc1F ZINC001096731446 1016470373 /nfs/dbraw/zinc/47/03/73/1016470373.db2.gz YHUWWSQHGIUBNG-QRQLOZEOSA-N 1 2 350.397 2.628 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001109985701 1001245226 /nfs/dbraw/zinc/24/52/26/1001245226.db2.gz POMZQOPOKNXLRE-IKGGRYGDSA-N 1 2 356.470 2.560 20 30 FFEDLO CCCCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(C)(=O)=O ZINC001110023087 1001332178 /nfs/dbraw/zinc/33/21/78/1001332178.db2.gz KADFHKJKPUVXJF-SQNIBIBYSA-N 1 2 372.575 2.893 20 30 FFEDLO CCCCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(C)(=O)=O ZINC001110023087 1001332184 /nfs/dbraw/zinc/33/21/84/1001332184.db2.gz KADFHKJKPUVXJF-SQNIBIBYSA-N 1 2 372.575 2.893 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccccc1OCC)C2 ZINC001110060132 1001410219 /nfs/dbraw/zinc/41/02/19/1001410219.db2.gz BRXDUJPGKVQIHB-PMPSAXMXSA-N 1 2 364.873 2.938 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccccc1OCC)C2 ZINC001110060132 1001410223 /nfs/dbraw/zinc/41/02/23/1001410223.db2.gz BRXDUJPGKVQIHB-PMPSAXMXSA-N 1 2 364.873 2.938 20 30 FFEDLO N#CCCCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1csc(Cl)c1)C2 ZINC001276205576 1016535961 /nfs/dbraw/zinc/53/59/61/1016535961.db2.gz OOPFRCYWCRZCBE-KRWDZBQOSA-N 1 2 367.902 2.756 20 30 FFEDLO N#CCCCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1csc(Cl)c1)C2 ZINC001276205576 1016535978 /nfs/dbraw/zinc/53/59/78/1016535978.db2.gz OOPFRCYWCRZCBE-KRWDZBQOSA-N 1 2 367.902 2.756 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@@H+](Cc3c(C)cc(OC)c(C)c3C)C[C@@]2(F)C1=O ZINC001276212735 1016550906 /nfs/dbraw/zinc/55/09/06/1016550906.db2.gz IYUUVTVLHXAHAW-VQTJNVASSA-N 1 2 364.436 2.881 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@H+](Cc3c(C)cc(OC)c(C)c3C)C[C@@]2(F)C1=O ZINC001276212735 1016550920 /nfs/dbraw/zinc/55/09/20/1016550920.db2.gz IYUUVTVLHXAHAW-VQTJNVASSA-N 1 2 364.436 2.881 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1C ZINC001091949210 1002152110 /nfs/dbraw/zinc/15/21/10/1002152110.db2.gz KLFBHFKQAZTEKQ-ZACQAIPSSA-N 1 2 360.502 2.973 20 30 FFEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)C[C@H](C#N)c3c(Cl)cccc3Cl)C[C@H]21 ZINC001183106534 1002165197 /nfs/dbraw/zinc/16/51/97/1002165197.db2.gz OLRCCDNFUFYYAP-DFBGVHRSSA-N 1 2 368.264 2.532 20 30 FFEDLO C[N@H+]1CCO[C@H]2CN(C(=O)C[C@H](C#N)c3c(Cl)cccc3Cl)C[C@H]21 ZINC001183106534 1002165202 /nfs/dbraw/zinc/16/52/02/1002165202.db2.gz OLRCCDNFUFYYAP-DFBGVHRSSA-N 1 2 368.264 2.532 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@@H+](Cc4ncnn4C(C)(C)C)C[C@@]3(C)C2)C1 ZINC001091996193 1002201988 /nfs/dbraw/zinc/20/19/88/1002201988.db2.gz SPGBKWHXGGHKOR-IERDGZPVSA-N 1 2 371.529 2.670 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](Cc4ncnn4C(C)(C)C)C[C@@]3(C)C2)C1 ZINC001091996193 1002201997 /nfs/dbraw/zinc/20/19/97/1002201997.db2.gz SPGBKWHXGGHKOR-IERDGZPVSA-N 1 2 371.529 2.670 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001057050435 1016588287 /nfs/dbraw/zinc/58/82/87/1016588287.db2.gz HWRGKMDBGXSCNV-AOIWGVFYSA-N 1 2 370.497 2.681 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001086583999 1002308793 /nfs/dbraw/zinc/30/87/93/1002308793.db2.gz YHSDQVFCXMUTHC-FUHWJXTLSA-N 1 2 354.841 2.837 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001086583999 1002308804 /nfs/dbraw/zinc/30/88/04/1002308804.db2.gz YHSDQVFCXMUTHC-FUHWJXTLSA-N 1 2 354.841 2.837 20 30 FFEDLO N#C[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccnc(-c2cc(N)cc[nH+]2)c1 ZINC001183606196 1002313223 /nfs/dbraw/zinc/31/32/23/1002313223.db2.gz ZEUIGTMMBUFOAV-CQSZACIVSA-N 1 2 359.389 2.752 20 30 FFEDLO C[C@H](CC(=O)N[C@H]1CCN(c2cccc(F)c2C#N)[C@@H]1C)n1cc[nH+]c1 ZINC001092054916 1002333147 /nfs/dbraw/zinc/33/31/47/1002333147.db2.gz KDHCFSVABGKBAW-CPUCHLNUSA-N 1 2 355.417 2.629 20 30 FFEDLO Cc1cc(C[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)on1 ZINC001183830161 1002403475 /nfs/dbraw/zinc/40/34/75/1002403475.db2.gz VIIMURHGPYGUMS-QRWLVFNGSA-N 1 2 366.465 2.957 20 30 FFEDLO Cc1cc(C[C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)on1 ZINC001183830161 1002403479 /nfs/dbraw/zinc/40/34/79/1002403479.db2.gz VIIMURHGPYGUMS-QRWLVFNGSA-N 1 2 366.465 2.957 20 30 FFEDLO CC(C)CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C#N)cn2)C1 ZINC001092313573 1002662266 /nfs/dbraw/zinc/66/22/66/1002662266.db2.gz MDIOMSMEQOLSTK-IAGOWNOFSA-N 1 2 366.469 2.529 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cccc(F)n2)C1 ZINC001092314960 1002666560 /nfs/dbraw/zinc/66/65/60/1002666560.db2.gz ZQAIGWAIIAITAM-HUUCEWRRSA-N 1 2 357.433 2.717 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2nccc(C)n2)C1 ZINC001092315853 1002668065 /nfs/dbraw/zinc/66/80/65/1002668065.db2.gz OJAJGIOJZJSTDZ-GVDBMIGSSA-N 1 2 368.485 2.527 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001095534674 1016670898 /nfs/dbraw/zinc/67/08/98/1016670898.db2.gz AILCZQLPXVMJGE-SQNIBIBYSA-N 1 2 354.429 2.744 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001095534674 1016670910 /nfs/dbraw/zinc/67/09/10/1016670910.db2.gz AILCZQLPXVMJGE-SQNIBIBYSA-N 1 2 354.429 2.744 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2c(F)cccc2F)CC1 ZINC001001164743 1016672604 /nfs/dbraw/zinc/67/26/04/1016672604.db2.gz YBROUGHOVCNCOL-BEFAXECRSA-N 1 2 362.420 2.804 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2c(F)cccc2F)CC1 ZINC001001164743 1016672611 /nfs/dbraw/zinc/67/26/11/1016672611.db2.gz YBROUGHOVCNCOL-BEFAXECRSA-N 1 2 362.420 2.804 20 30 FFEDLO Cc1[nH]nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)c1C ZINC001096890922 1016687007 /nfs/dbraw/zinc/68/70/07/1016687007.db2.gz LZGRGENDZUQJKH-NXHRZFHOSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1[nH]nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)c1C ZINC001096890922 1016687014 /nfs/dbraw/zinc/68/70/14/1016687014.db2.gz LZGRGENDZUQJKH-NXHRZFHOSA-N 1 2 367.428 2.573 20 30 FFEDLO CCCCN1C[C@@]2(F)C[N@H+](CCCc3ccc(C#N)cc3)C[C@@]2(F)C1=O ZINC001276279942 1016707518 /nfs/dbraw/zinc/70/75/18/1016707518.db2.gz GQRWKKSWWBBPLR-VQTJNVASSA-N 1 2 361.436 2.865 20 30 FFEDLO CCCCN1C[C@@]2(F)C[N@@H+](CCCc3ccc(C#N)cc3)C[C@@]2(F)C1=O ZINC001276279942 1016707528 /nfs/dbraw/zinc/70/75/28/1016707528.db2.gz GQRWKKSWWBBPLR-VQTJNVASSA-N 1 2 361.436 2.865 20 30 FFEDLO C#C[C@H](CCC)NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000792449948 1003008005 /nfs/dbraw/zinc/00/80/05/1003008005.db2.gz MGYZALCCRINIEW-MRXNPFEDSA-N 1 2 364.449 2.743 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)s1 ZINC001110366030 1003013186 /nfs/dbraw/zinc/01/31/86/1003013186.db2.gz HAZJPKKOJLWTJM-SVGFKBNWSA-N 1 2 363.527 2.963 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)s1 ZINC001110366030 1003013201 /nfs/dbraw/zinc/01/32/01/1003013201.db2.gz HAZJPKKOJLWTJM-SVGFKBNWSA-N 1 2 363.527 2.963 20 30 FFEDLO C=C[C@H](CC)CC(=O)NCC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC001092568683 1003142463 /nfs/dbraw/zinc/14/24/63/1003142463.db2.gz IHVVTTHKHCQCFH-BZUAXINKSA-N 1 2 370.501 2.544 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2ccc(C)n2)C1 ZINC001086610586 1003245744 /nfs/dbraw/zinc/24/57/44/1003245744.db2.gz UWENYEIAEGFBNH-ZWKOTPCHSA-N 1 2 358.873 2.528 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2ccc(C)n2)C1 ZINC001086610586 1003245754 /nfs/dbraw/zinc/24/57/54/1003245754.db2.gz UWENYEIAEGFBNH-ZWKOTPCHSA-N 1 2 358.873 2.528 20 30 FFEDLO C[C@@H](C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)n1cnc(C#N)n1 ZINC000793391839 1003361527 /nfs/dbraw/zinc/36/15/27/1003361527.db2.gz SAROWERBEPMCEV-ZDUSSCGKSA-N 1 2 362.393 2.516 20 30 FFEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000793510940 1003392330 /nfs/dbraw/zinc/39/23/30/1003392330.db2.gz ZFNCYEHZPCORTB-ICSRJNTNSA-N 1 2 371.481 2.627 20 30 FFEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000793510940 1003392340 /nfs/dbraw/zinc/39/23/40/1003392340.db2.gz ZFNCYEHZPCORTB-ICSRJNTNSA-N 1 2 371.481 2.627 20 30 FFEDLO N#CCSCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3Cl)C[C@H]21 ZINC001186917367 1003489394 /nfs/dbraw/zinc/48/93/94/1003489394.db2.gz LLWCCZWKZWCXCQ-BLLLJJGKSA-N 1 2 367.877 2.769 20 30 FFEDLO N#CCSCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3Cl)C[C@H]21 ZINC001186917367 1003489397 /nfs/dbraw/zinc/48/93/97/1003489397.db2.gz LLWCCZWKZWCXCQ-BLLLJJGKSA-N 1 2 367.877 2.769 20 30 FFEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)c3csnn3)C[C@H]2C)cc1 ZINC001092876272 1003652644 /nfs/dbraw/zinc/65/26/44/1003652644.db2.gz AFGUOKUIIBGWGH-JKIFEVAISA-N 1 2 354.479 2.578 20 30 FFEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]([C@@H](C)c3csnn3)C[C@H]2C)cc1 ZINC001092876272 1003652649 /nfs/dbraw/zinc/65/26/49/1003652649.db2.gz AFGUOKUIIBGWGH-JKIFEVAISA-N 1 2 354.479 2.578 20 30 FFEDLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2noc(C3(C#N)CCOCC3)n2)C1 ZINC000867180773 1003820629 /nfs/dbraw/zinc/82/06/29/1003820629.db2.gz HVLNYSHAQBYCTN-QGZVFWFLSA-N 1 2 368.437 2.523 20 30 FFEDLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc(C3(C#N)CCOCC3)n2)C1 ZINC000867180773 1003820645 /nfs/dbraw/zinc/82/06/45/1003820645.db2.gz HVLNYSHAQBYCTN-QGZVFWFLSA-N 1 2 368.437 2.523 20 30 FFEDLO C#CC[C@@H](Cc1ccccc1)Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000804809752 1003851316 /nfs/dbraw/zinc/85/13/16/1003851316.db2.gz LKFFDXYWQXDUAF-MOPGFXCFSA-N 1 2 350.466 2.732 20 30 FFEDLO C#CC[C@@H](Cc1ccccc1)Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000804809752 1003851330 /nfs/dbraw/zinc/85/13/30/1003851330.db2.gz LKFFDXYWQXDUAF-MOPGFXCFSA-N 1 2 350.466 2.732 20 30 FFEDLO N#Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)CC2CCCC2)CC1 ZINC001191552078 1003883792 /nfs/dbraw/zinc/88/37/92/1003883792.db2.gz AZZAPOOHBDNQOX-UHFFFAOYSA-N 1 2 361.511 2.632 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc(C(F)(F)F)c1C)C2 ZINC001097970407 1016846607 /nfs/dbraw/zinc/84/66/07/1016846607.db2.gz GOHYVCPFMHNPNI-MXWKQRLJSA-N 1 2 362.783 2.825 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc(C(F)(F)F)c1C)C2 ZINC001097970407 1016846623 /nfs/dbraw/zinc/84/66/23/1016846623.db2.gz GOHYVCPFMHNPNI-MXWKQRLJSA-N 1 2 362.783 2.825 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001057237816 1016863108 /nfs/dbraw/zinc/86/31/08/1016863108.db2.gz DNHRMJVNTDZCPD-SJORKVTESA-N 1 2 358.486 2.538 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2sccc2Cl)C[C@H]1O ZINC001193232193 1004411453 /nfs/dbraw/zinc/41/14/53/1004411453.db2.gz UXFLPMBEHMJXMU-HUUCEWRRSA-N 1 2 354.903 2.831 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2sccc2Cl)C[C@H]1O ZINC001193232193 1004411462 /nfs/dbraw/zinc/41/14/62/1004411462.db2.gz UXFLPMBEHMJXMU-HUUCEWRRSA-N 1 2 354.903 2.831 20 30 FFEDLO N#Cc1cccc(C(=O)N(c2ncnc3ccccc32)C2CC[NH2+]CC2)c1O ZINC001193646491 1004538385 /nfs/dbraw/zinc/53/83/85/1004538385.db2.gz KTJWDQODOAADOU-UHFFFAOYSA-N 1 2 373.416 2.606 20 30 FFEDLO C#Cc1cncc(C(=O)N2CC[N@@H+](Cc3ccccc3OCC)C[C@H]2C)c1 ZINC000807473769 1004613829 /nfs/dbraw/zinc/61/38/29/1004613829.db2.gz NJWWJVLBZFVHPF-QGZVFWFLSA-N 1 2 363.461 2.808 20 30 FFEDLO C#Cc1cncc(C(=O)N2CC[N@H+](Cc3ccccc3OCC)C[C@H]2C)c1 ZINC000807473769 1004613833 /nfs/dbraw/zinc/61/38/33/1004613833.db2.gz NJWWJVLBZFVHPF-QGZVFWFLSA-N 1 2 363.461 2.808 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)C1CC1 ZINC001110516463 1004690010 /nfs/dbraw/zinc/69/00/10/1004690010.db2.gz WOQAELMNGIXBHI-YSTOQKLRSA-N 1 2 372.896 2.838 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)C1CC1 ZINC001110516463 1004690019 /nfs/dbraw/zinc/69/00/19/1004690019.db2.gz WOQAELMNGIXBHI-YSTOQKLRSA-N 1 2 372.896 2.838 20 30 FFEDLO C=CCOC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)c(C(F)(F)F)c1 ZINC001194323382 1004705047 /nfs/dbraw/zinc/70/50/47/1004705047.db2.gz BTDHFSOARGFMEF-UHFFFAOYSA-N 1 2 371.359 2.828 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCOCC2)C3)c(F)c1 ZINC001097019343 1016904364 /nfs/dbraw/zinc/90/43/64/1016904364.db2.gz CSDNHCDWUBAFKT-ZSXHRAQDSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCOCC2)C3)c(F)c1 ZINC001097019343 1016904378 /nfs/dbraw/zinc/90/43/78/1016904378.db2.gz CSDNHCDWUBAFKT-ZSXHRAQDSA-N 1 2 371.456 2.736 20 30 FFEDLO CC(C)(C)CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001198904703 1004788746 /nfs/dbraw/zinc/78/87/46/1004788746.db2.gz KJDJGAPGJJNRLP-HZPDHXFCSA-N 1 2 363.527 2.743 20 30 FFEDLO CC(C)(C)CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001198904703 1004788751 /nfs/dbraw/zinc/78/87/51/1004788751.db2.gz KJDJGAPGJJNRLP-HZPDHXFCSA-N 1 2 363.527 2.743 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)CCCCC1 ZINC001198944397 1004802753 /nfs/dbraw/zinc/80/27/53/1004802753.db2.gz FRSRWJWWMYJMHQ-NHCUHLMSSA-N 1 2 366.505 2.726 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)CCCCC1 ZINC001198944397 1004802761 /nfs/dbraw/zinc/80/27/61/1004802761.db2.gz FRSRWJWWMYJMHQ-NHCUHLMSSA-N 1 2 366.505 2.726 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc3ccccc3o2)C[C@H]1O ZINC001195337964 1004941911 /nfs/dbraw/zinc/94/19/11/1004941911.db2.gz HMZMOTZXFPKJSR-CGTJXYLNSA-N 1 2 369.465 2.634 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc3ccccc3o2)C[C@H]1O ZINC001195337964 1004941915 /nfs/dbraw/zinc/94/19/15/1004941915.db2.gz HMZMOTZXFPKJSR-CGTJXYLNSA-N 1 2 369.465 2.634 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1O ZINC001195554865 1004982555 /nfs/dbraw/zinc/98/25/55/1004982555.db2.gz RFTBNYVFDHIEHN-CWFSZBLJSA-N 1 2 369.465 2.605 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1O ZINC001195554865 1004982561 /nfs/dbraw/zinc/98/25/61/1004982561.db2.gz RFTBNYVFDHIEHN-CWFSZBLJSA-N 1 2 369.465 2.605 20 30 FFEDLO CO[C@@H](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110472260 1005004024 /nfs/dbraw/zinc/00/40/24/1005004024.db2.gz BFWLASGFFCXUND-QVSURHGTSA-N 1 2 359.445 2.734 20 30 FFEDLO CO[C@@H](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110472260 1005004031 /nfs/dbraw/zinc/00/40/31/1005004031.db2.gz BFWLASGFFCXUND-QVSURHGTSA-N 1 2 359.445 2.734 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)C[C@H]1O ZINC001195923613 1005074476 /nfs/dbraw/zinc/07/44/76/1005074476.db2.gz HQEDCKWBUQYQQY-LMMKCTJWSA-N 1 2 350.890 2.912 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)C[C@H]1O ZINC001195923613 1005074484 /nfs/dbraw/zinc/07/44/84/1005074484.db2.gz HQEDCKWBUQYQQY-LMMKCTJWSA-N 1 2 350.890 2.912 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C(C)C ZINC001110547481 1005081067 /nfs/dbraw/zinc/08/10/67/1005081067.db2.gz MDBPMMVZNHMKSN-ZRNYENFQSA-N 1 2 355.482 2.841 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C(C)C ZINC001110547481 1005081072 /nfs/dbraw/zinc/08/10/72/1005081072.db2.gz MDBPMMVZNHMKSN-ZRNYENFQSA-N 1 2 355.482 2.841 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)C1CC1 ZINC001110569800 1005255392 /nfs/dbraw/zinc/25/53/92/1005255392.db2.gz ZXDSAVFAVUJVKX-CGXNFDGLSA-N 1 2 370.468 2.714 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)C1CC1 ZINC001110569800 1005255396 /nfs/dbraw/zinc/25/53/96/1005255396.db2.gz ZXDSAVFAVUJVKX-CGXNFDGLSA-N 1 2 370.468 2.714 20 30 FFEDLO C[C@H](C#N)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2noc(C3CCCCC3)n2)C1 ZINC001488902025 1005374118 /nfs/dbraw/zinc/37/41/18/1005374118.db2.gz IQVMUCTULYZOIS-IJEWVQPXSA-N 1 2 359.474 2.651 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1CC ZINC001490009606 1005614572 /nfs/dbraw/zinc/61/45/72/1005614572.db2.gz MCOGXULADXWAKC-FUHWJXTLSA-N 1 2 358.486 2.525 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1C ZINC001110610780 1005671153 /nfs/dbraw/zinc/67/11/53/1005671153.db2.gz RNSMCAUDEUOCFO-AQNXPRMDSA-N 1 2 369.509 2.689 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1C ZINC001110610780 1005671155 /nfs/dbraw/zinc/67/11/55/1005671155.db2.gz RNSMCAUDEUOCFO-AQNXPRMDSA-N 1 2 369.509 2.689 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1ncc(Cl)s1 ZINC001490257604 1005679187 /nfs/dbraw/zinc/67/91/87/1005679187.db2.gz JVBZDEZCQYMKLS-WFASDCNBSA-N 1 2 357.907 2.716 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1ncc(Cl)s1 ZINC001490257604 1005679189 /nfs/dbraw/zinc/67/91/89/1005679189.db2.gz JVBZDEZCQYMKLS-WFASDCNBSA-N 1 2 357.907 2.716 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1)OCC ZINC001110612540 1005718832 /nfs/dbraw/zinc/71/88/32/1005718832.db2.gz GSHPVVJVIDDZIV-AKHDSKFASA-N 1 2 361.461 2.814 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1)OCC ZINC001110612540 1005718833 /nfs/dbraw/zinc/71/88/33/1005718833.db2.gz GSHPVVJVIDDZIV-AKHDSKFASA-N 1 2 361.461 2.814 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)Nc3ccccc3OC)C[C@H]21 ZINC001187240726 1005971852 /nfs/dbraw/zinc/97/18/52/1005971852.db2.gz YUGVDZCGIUHZJE-XYJFISCASA-N 1 2 371.481 2.521 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)Nc3ccccc3OC)C[C@H]21 ZINC001187240726 1005971853 /nfs/dbraw/zinc/97/18/53/1005971853.db2.gz YUGVDZCGIUHZJE-XYJFISCASA-N 1 2 371.481 2.521 20 30 FFEDLO C[C@@H](c1ncccn1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC#Cc1ccccc1)C2 ZINC001111442596 1017023924 /nfs/dbraw/zinc/02/39/24/1017023924.db2.gz YSZFGNOIRTWQOT-NBYUQASBSA-N 1 2 360.461 2.701 20 30 FFEDLO C[C@@H](c1ncccn1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC#Cc1ccccc1)C2 ZINC001111442596 1017023937 /nfs/dbraw/zinc/02/39/37/1017023937.db2.gz YSZFGNOIRTWQOT-NBYUQASBSA-N 1 2 360.461 2.701 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nc4c(o3)CCCC4)C[C@H]21 ZINC001187591386 1006147148 /nfs/dbraw/zinc/14/71/48/1006147148.db2.gz JVNMTCJSKPDJMG-FUHWJXTLSA-N 1 2 355.482 2.780 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc4c(o3)CCCC4)C[C@H]21 ZINC001187591386 1006147153 /nfs/dbraw/zinc/14/71/53/1006147153.db2.gz JVNMTCJSKPDJMG-FUHWJXTLSA-N 1 2 355.482 2.780 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001057429336 1017032562 /nfs/dbraw/zinc/03/25/62/1017032562.db2.gz JYNPPHVRFWBWKZ-SJORKVTESA-N 1 2 356.470 2.656 20 30 FFEDLO CCc1ccc(C#CC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000814377417 1006267142 /nfs/dbraw/zinc/26/71/42/1006267142.db2.gz RKEQFHSXLDUXAE-UHFFFAOYSA-N 1 2 362.473 2.749 20 30 FFEDLO Cc1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC(C)(C)C)[C@@H]3C2)c1 ZINC001187832829 1006287520 /nfs/dbraw/zinc/28/75/20/1006287520.db2.gz AWGHDPXWIHZLNH-PKOBYXMFSA-N 1 2 367.493 2.516 20 30 FFEDLO Cc1cccc(NC(=O)C[N@H+]2C[C@@H]3CCN(C(=O)C#CC(C)(C)C)[C@@H]3C2)c1 ZINC001187832829 1006287529 /nfs/dbraw/zinc/28/75/29/1006287529.db2.gz AWGHDPXWIHZLNH-PKOBYXMFSA-N 1 2 367.493 2.516 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1cc(C)c(C#N)c(C)n1)C[NH2+]C2(C)C ZINC001170756041 1006381550 /nfs/dbraw/zinc/38/15/50/1006381550.db2.gz IXRZTGFDVSYGCH-UHFFFAOYSA-N 1 2 354.414 2.853 20 30 FFEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc2n(c1=S)c1ccccc1c(=O)n2C ZINC000853598929 1006468276 /nfs/dbraw/zinc/46/82/76/1006468276.db2.gz YSBMENLKIMNUEW-OKILXGFUSA-N 1 2 367.478 2.858 20 30 FFEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc2n(c1=S)c1ccccc1c(=O)n2C ZINC000853598929 1006468280 /nfs/dbraw/zinc/46/82/80/1006468280.db2.gz YSBMENLKIMNUEW-OKILXGFUSA-N 1 2 367.478 2.858 20 30 FFEDLO C=CCN(C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)[C@H](C)COC ZINC000853790711 1006537879 /nfs/dbraw/zinc/53/78/79/1006537879.db2.gz JEYQCVRPLBRYOZ-QGZVFWFLSA-N 1 2 374.529 2.954 20 30 FFEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC001188460342 1006578900 /nfs/dbraw/zinc/57/89/00/1006578900.db2.gz DCDDHOJUTOALEL-UHFFFAOYSA-N 1 2 373.453 2.759 20 30 FFEDLO Cc1oc(-c2ccco2)nc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C#N)C2 ZINC001110402040 1006716988 /nfs/dbraw/zinc/71/69/88/1006716988.db2.gz VTZJRYNAOKYLMX-DCDXPUDHSA-N 1 2 354.410 2.624 20 30 FFEDLO Cc1oc(-c2ccco2)nc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C#N)C2 ZINC001110402040 1006716997 /nfs/dbraw/zinc/71/69/97/1006716997.db2.gz VTZJRYNAOKYLMX-DCDXPUDHSA-N 1 2 354.410 2.624 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nnc(-c4ccco4)o3)C[C@H]21 ZINC001188855916 1006773955 /nfs/dbraw/zinc/77/39/55/1006773955.db2.gz JIQPPYPNVDWCJL-JKSUJKDBSA-N 1 2 368.437 2.556 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(-c4ccco4)o3)C[C@H]21 ZINC001188855916 1006773962 /nfs/dbraw/zinc/77/39/62/1006773962.db2.gz JIQPPYPNVDWCJL-JKSUJKDBSA-N 1 2 368.437 2.556 20 30 FFEDLO C[Si](C)(C)C#Cc1ccc(C(=O)NCC2([NH+]3CCCC3)COC2)cc1 ZINC001189176864 1006957347 /nfs/dbraw/zinc/95/73/47/1006957347.db2.gz MDDOULHBJQJBMB-UHFFFAOYSA-N 1 2 356.542 2.510 20 30 FFEDLO CN(CC1CC1)C(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000112969388 1007100524 /nfs/dbraw/zinc/10/05/24/1007100524.db2.gz PIQYPDADGHSVSA-UHFFFAOYSA-N 1 2 367.449 2.771 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1nc2ccccc2n1C1CCCC1 ZINC000884150207 1007272193 /nfs/dbraw/zinc/27/21/93/1007272193.db2.gz GOWLLLMRYVHDOR-AWEZNQCLSA-N 1 2 356.426 2.537 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001190439759 1007641001 /nfs/dbraw/zinc/64/10/01/1007641001.db2.gz BYYWYWNAMJTYKN-QWQRMKEZSA-N 1 2 350.409 2.589 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001190439759 1007641007 /nfs/dbraw/zinc/64/10/07/1007641007.db2.gz BYYWYWNAMJTYKN-QWQRMKEZSA-N 1 2 350.409 2.589 20 30 FFEDLO N#Cc1cccc([C@H](O)C[N@@H+]2CCC[C@H]2C(=O)OCc2ccccc2)c1 ZINC001190975725 1007857097 /nfs/dbraw/zinc/85/70/97/1007857097.db2.gz HGHKKULFCVXTCM-VQTJNVASSA-N 1 2 350.418 2.799 20 30 FFEDLO N#Cc1cccc([C@H](O)C[N@H+]2CCC[C@H]2C(=O)OCc2ccccc2)c1 ZINC001190975725 1007857102 /nfs/dbraw/zinc/85/71/02/1007857102.db2.gz HGHKKULFCVXTCM-VQTJNVASSA-N 1 2 350.418 2.799 20 30 FFEDLO C#CCn1ccc(CN(CC)C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)n1 ZINC000819951017 1008262947 /nfs/dbraw/zinc/26/29/47/1008262947.db2.gz YFCXNKYQJHKBCW-LJQANCHMSA-N 1 2 361.449 2.810 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857996283 1008273290 /nfs/dbraw/zinc/27/32/90/1008273290.db2.gz WKFYVKBPKCETQM-UHFFFAOYSA-N 1 2 352.442 2.508 20 30 FFEDLO C#CCCOC(=O)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000858886943 1008444841 /nfs/dbraw/zinc/44/48/41/1008444841.db2.gz VMACSUDISMPDNF-UHFFFAOYSA-N 1 2 374.466 2.508 20 30 FFEDLO CC(C)C[C@@H](C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)n1cc[nH+]c1 ZINC000821399515 1008452263 /nfs/dbraw/zinc/45/22/63/1008452263.db2.gz KUQGMVIVGRVOIU-RBUKOAKNSA-N 1 2 352.438 2.942 20 30 FFEDLO CC(C)C[C@H](C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)n1cc[nH+]c1 ZINC000821399516 1008452532 /nfs/dbraw/zinc/45/25/32/1008452532.db2.gz KUQGMVIVGRVOIU-RTBURBONSA-N 1 2 352.438 2.942 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cc(F)ccc2C)C[C@H]1C ZINC001206510034 1032319655 /nfs/dbraw/zinc/31/96/55/1032319655.db2.gz WPZGQYWMTXLDFQ-RVKKMQEKSA-N 1 2 361.461 2.864 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cc(F)ccc2C)C[C@H]1C ZINC001206510034 1032319665 /nfs/dbraw/zinc/31/96/65/1032319665.db2.gz WPZGQYWMTXLDFQ-RVKKMQEKSA-N 1 2 361.461 2.864 20 30 FFEDLO C#CC[C@H](COC)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000859030766 1008467669 /nfs/dbraw/zinc/46/76/69/1008467669.db2.gz AAPTWMGUHLEJAE-IEBWSBKVSA-N 1 2 354.454 2.579 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)C[C@H]1C ZINC001206537413 1032333901 /nfs/dbraw/zinc/33/39/01/1032333901.db2.gz SQNWBFAUUKLIKR-CZUORRHYSA-N 1 2 358.417 2.778 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccc(F)cc3)no2)C[C@H]1C ZINC001206537413 1032333911 /nfs/dbraw/zinc/33/39/11/1032333911.db2.gz SQNWBFAUUKLIKR-CZUORRHYSA-N 1 2 358.417 2.778 20 30 FFEDLO N#C[C@H](Cc1cccs1)C(=O)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001177909574 1008780614 /nfs/dbraw/zinc/78/06/14/1008780614.db2.gz NZCJLWOFPUZNKX-LPHOPBHVSA-N 1 2 351.475 2.872 20 30 FFEDLO N#C[C@H](Cc1cccs1)C(=O)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001177909574 1008780621 /nfs/dbraw/zinc/78/06/21/1008780621.db2.gz NZCJLWOFPUZNKX-LPHOPBHVSA-N 1 2 351.475 2.872 20 30 FFEDLO Cc1ccn(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001095356699 1008921115 /nfs/dbraw/zinc/92/11/15/1008921115.db2.gz WSGLRFQYBAZANX-NEWSRXKRSA-N 1 2 366.440 2.880 20 30 FFEDLO Cc1ccn(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001095356699 1008921126 /nfs/dbraw/zinc/92/11/26/1008921126.db2.gz WSGLRFQYBAZANX-NEWSRXKRSA-N 1 2 366.440 2.880 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C)OCC ZINC001093018866 1009621196 /nfs/dbraw/zinc/62/11/96/1009621196.db2.gz NDDOHFWILQJVBY-YRXWBPOGSA-N 1 2 372.513 2.999 20 30 FFEDLO Cc1nc(N2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)C)C2)c2c([nH+]1)CCCC2 ZINC001093085464 1009808897 /nfs/dbraw/zinc/80/88/97/1009808897.db2.gz NFNXCPPQGCILSL-JTSKRJEESA-N 1 2 366.509 2.798 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3c(C4CC4)nc4sccn34)CC2)cn1 ZINC000862421770 1009834745 /nfs/dbraw/zinc/83/47/45/1009834745.db2.gz GMZUUVPKUPXWGP-UHFFFAOYSA-N 1 2 364.478 2.862 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CCc1ccoc1 ZINC001206869848 1032469238 /nfs/dbraw/zinc/46/92/38/1032469238.db2.gz ZIQSWEKFCBJFBR-AUUYWEPGSA-N 1 2 355.413 2.860 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CCc1ccoc1 ZINC001206869848 1032469242 /nfs/dbraw/zinc/46/92/42/1032469242.db2.gz ZIQSWEKFCBJFBR-AUUYWEPGSA-N 1 2 355.413 2.860 20 30 FFEDLO C[NH+]1CCC([NH+]2CCC(Nc3cc(C(F)(F)F)cc(C#N)n3)CC2)CC1 ZINC000865484341 1010796125 /nfs/dbraw/zinc/79/61/25/1010796125.db2.gz GJXMQSUZJSHKSA-UHFFFAOYSA-N 1 2 367.419 2.943 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2cc(F)c(C#N)cc2[N+](=O)[O-])CC1 ZINC000865538108 1010809712 /nfs/dbraw/zinc/80/97/12/1010809712.db2.gz GWIBOAIVAAUDAR-ZDUSSCGKSA-N 1 2 355.373 2.884 20 30 FFEDLO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(C#N)c1O ZINC000866339052 1010980297 /nfs/dbraw/zinc/98/02/97/1010980297.db2.gz CHXPAVAKZWOSSK-AWEZNQCLSA-N 1 2 371.462 2.655 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(CC3CC3)CC2)cc1C#N ZINC001274300679 1011362972 /nfs/dbraw/zinc/36/29/72/1011362972.db2.gz FVWIWBDTAGYNQK-HDICACEKSA-N 1 2 352.482 2.652 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(CC3CC3)CC2)cc1C#N ZINC001274300679 1011362986 /nfs/dbraw/zinc/36/29/86/1011362986.db2.gz FVWIWBDTAGYNQK-HDICACEKSA-N 1 2 352.482 2.652 20 30 FFEDLO C#Cc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1 ZINC000868661154 1011408041 /nfs/dbraw/zinc/40/80/41/1011408041.db2.gz FSNCLIKRDBBDOG-UHFFFAOYSA-N 1 2 366.490 2.616 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H](N2CC[NH2+]C[C@H]2C#N)CC12CCCCC2 ZINC001172049503 1011607970 /nfs/dbraw/zinc/60/79/70/1011607970.db2.gz AMNTWNMUCWDLTO-IAGOWNOFSA-N 1 2 362.518 2.886 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCC(CC#N)CC3)C2)cc1 ZINC000869099939 1011608488 /nfs/dbraw/zinc/60/84/88/1011608488.db2.gz ANVNJQQSKZIKSE-FQEVSTJZSA-N 1 2 370.497 2.531 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCC(CC#N)CC3)C2)cc1 ZINC000869099939 1011608496 /nfs/dbraw/zinc/60/84/96/1011608496.db2.gz ANVNJQQSKZIKSE-FQEVSTJZSA-N 1 2 370.497 2.531 20 30 FFEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001172315061 1011743567 /nfs/dbraw/zinc/74/35/67/1011743567.db2.gz NHKGLBICJUULLJ-IPELMVKDSA-N 1 2 371.481 2.809 20 30 FFEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001172315061 1011743572 /nfs/dbraw/zinc/74/35/72/1011743572.db2.gz NHKGLBICJUULLJ-IPELMVKDSA-N 1 2 371.481 2.809 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@@H](C)CCO[C@@H](C)CC ZINC001172331723 1011766908 /nfs/dbraw/zinc/76/69/08/1011766908.db2.gz RJLNIUJARRDCBU-XYJFISCASA-N 1 2 350.507 2.994 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H](C)CCO[C@@H](C)CC ZINC001172331723 1011766920 /nfs/dbraw/zinc/76/69/20/1011766920.db2.gz RJLNIUJARRDCBU-XYJFISCASA-N 1 2 350.507 2.994 20 30 FFEDLO CCCCCCCCC[N@@H+]1C[C@]2(F)CN([C@H](CC)C(N)=O)C(=O)[C@]2(F)C1 ZINC001275118558 1011961744 /nfs/dbraw/zinc/96/17/44/1011961744.db2.gz FIOXIZZLCNSVMZ-AYOQOUSVSA-N 1 2 373.488 2.575 20 30 FFEDLO CCCCCCCCC[N@H+]1C[C@]2(F)CN([C@H](CC)C(N)=O)C(=O)[C@]2(F)C1 ZINC001275118558 1011961751 /nfs/dbraw/zinc/96/17/51/1011961751.db2.gz FIOXIZZLCNSVMZ-AYOQOUSVSA-N 1 2 373.488 2.575 20 30 FFEDLO CCCCCCCC[NH+]1CC2(C1)COCC(=O)N2CC(=O)C(C)(C)C ZINC001275113858 1011963469 /nfs/dbraw/zinc/96/34/69/1011963469.db2.gz JFBHEWXPSYHEAR-UHFFFAOYSA-N 1 2 352.519 2.875 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2c[nH]c(Br)c2)C1=O ZINC001276751141 1032597370 /nfs/dbraw/zinc/59/73/70/1032597370.db2.gz SXBUICMSYQMZDR-MRXNPFEDSA-N 1 2 352.276 2.920 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2c[nH]c(Br)c2)C1=O ZINC001276751141 1032597374 /nfs/dbraw/zinc/59/73/74/1032597374.db2.gz SXBUICMSYQMZDR-MRXNPFEDSA-N 1 2 352.276 2.920 20 30 FFEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCc3nnc(N4CCCC4)cc3C2)cc1 ZINC000828098792 1032598479 /nfs/dbraw/zinc/59/84/79/1032598479.db2.gz CKECOFFRIBPSSL-MRXNPFEDSA-N 1 2 363.465 2.926 20 30 FFEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCc3nnc(N4CCCC4)cc3C2)cc1 ZINC000828098792 1032598492 /nfs/dbraw/zinc/59/84/92/1032598492.db2.gz CKECOFFRIBPSSL-MRXNPFEDSA-N 1 2 363.465 2.926 20 30 FFEDLO C#CC[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C)o2)C1)c1ccccc1 ZINC001217081705 1032604126 /nfs/dbraw/zinc/60/41/26/1032604126.db2.gz NNCUNWAQXWUYKV-ATZDWAIDSA-N 1 2 366.465 2.512 20 30 FFEDLO C#CC[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)no2)C1)c1ccccc1 ZINC001217081932 1032605390 /nfs/dbraw/zinc/60/53/90/1032605390.db2.gz QLBLYHYJQCKLON-AYOQOUSVSA-N 1 2 366.465 2.512 20 30 FFEDLO CC(=O)[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(C#N)c1Cl)CC2 ZINC001275307256 1012264085 /nfs/dbraw/zinc/26/40/85/1012264085.db2.gz BGLGMYPCJKVCFS-DYVFJYSZSA-N 1 2 373.884 2.907 20 30 FFEDLO C=CCCCCCC[NH+]1CC2(C1)CN(COC(=O)C(C)(C)C)C(=O)CO2 ZINC001275329356 1012309535 /nfs/dbraw/zinc/30/95/35/1012309535.db2.gz UBLUMIUYYQZKOD-UHFFFAOYSA-N 1 2 366.502 2.583 20 30 FFEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3cc(Cl)ccc3F)C2)OCC1=O ZINC001275351951 1012352825 /nfs/dbraw/zinc/35/28/25/1012352825.db2.gz XSLKOOIOWYCKFX-GOSISDBHSA-N 1 2 352.837 2.859 20 30 FFEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3cc(Cl)ccc3F)C2)OCC1=O ZINC001275351951 1012352837 /nfs/dbraw/zinc/35/28/37/1012352837.db2.gz XSLKOOIOWYCKFX-GOSISDBHSA-N 1 2 352.837 2.859 20 30 FFEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Br)cn1)CC2 ZINC001275376331 1012387890 /nfs/dbraw/zinc/38/78/90/1012387890.db2.gz DKSDOYJHLFVHRD-HNNXBMFYSA-N 1 2 364.287 2.748 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccncc2)C3)cc1F ZINC001095100638 1012418478 /nfs/dbraw/zinc/41/84/78/1012418478.db2.gz PRIQRIYLGBZVIC-NEWSRXKRSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccncc2)C3)cc1F ZINC001095100638 1012418488 /nfs/dbraw/zinc/41/84/88/1012418488.db2.gz PRIQRIYLGBZVIC-NEWSRXKRSA-N 1 2 350.397 2.628 20 30 FFEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)c(O)c(F)c1)CC2 ZINC001275433861 1012457425 /nfs/dbraw/zinc/45/74/25/1012457425.db2.gz UYIUJHASZWOMQY-AWEZNQCLSA-N 1 2 350.409 2.965 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCO[C@@H]2C)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000647403453 1012466671 /nfs/dbraw/zinc/46/66/71/1012466671.db2.gz KOUBEBYYIVEHDG-SJLPKXTDSA-N 1 2 371.485 2.662 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)no1 ZINC001095147233 1012551084 /nfs/dbraw/zinc/55/10/84/1012551084.db2.gz AEDIYTJDTYXWIN-AOIWGVFYSA-N 1 2 353.397 2.509 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)no1 ZINC001095147233 1012551102 /nfs/dbraw/zinc/55/11/02/1012551102.db2.gz AEDIYTJDTYXWIN-AOIWGVFYSA-N 1 2 353.397 2.509 20 30 FFEDLO Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)n1C ZINC001095168950 1012594192 /nfs/dbraw/zinc/59/41/92/1012594192.db2.gz VTTMNZFMNWDFEG-NEWSRXKRSA-N 1 2 366.440 2.880 20 30 FFEDLO Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)n1C ZINC001095168950 1012594210 /nfs/dbraw/zinc/59/42/10/1012594210.db2.gz VTTMNZFMNWDFEG-NEWSRXKRSA-N 1 2 366.440 2.880 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)nc1)C2 ZINC001095243596 1012833885 /nfs/dbraw/zinc/83/38/85/1012833885.db2.gz RCKLHHUNPXFLBD-SQNIBIBYSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)nc1)C2 ZINC001095243596 1012833903 /nfs/dbraw/zinc/83/39/03/1012833903.db2.gz RCKLHHUNPXFLBD-SQNIBIBYSA-N 1 2 350.397 2.628 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ccn(C(F)F)n1 ZINC001097140196 1017097208 /nfs/dbraw/zinc/09/72/08/1017097208.db2.gz ITLROTRCGHQTEM-NXHRZFHOSA-N 1 2 370.403 2.665 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ccn(C(F)F)n1 ZINC001097140196 1017097216 /nfs/dbraw/zinc/09/72/16/1017097216.db2.gz ITLROTRCGHQTEM-NXHRZFHOSA-N 1 2 370.403 2.665 20 30 FFEDLO COCc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)o1 ZINC001095725745 1017154519 /nfs/dbraw/zinc/15/45/19/1017154519.db2.gz UQIUGOSNZQQKHV-NEWSRXKRSA-N 1 2 365.433 2.833 20 30 FFEDLO COCc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)o1 ZINC001095725745 1017154523 /nfs/dbraw/zinc/15/45/23/1017154523.db2.gz UQIUGOSNZQQKHV-NEWSRXKRSA-N 1 2 365.433 2.833 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N(C)C)cc1F)C2 ZINC001097216145 1017202167 /nfs/dbraw/zinc/20/21/67/1017202167.db2.gz SBPVJXNEGJVISJ-XYPHTWIQSA-N 1 2 351.853 2.979 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N(C)C)cc1F)C2 ZINC001097216145 1017202175 /nfs/dbraw/zinc/20/21/75/1017202175.db2.gz SBPVJXNEGJVISJ-XYPHTWIQSA-N 1 2 351.853 2.979 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NCc1ccco1 ZINC001110888776 1017222921 /nfs/dbraw/zinc/22/29/21/1017222921.db2.gz UNCAIKUZJXWMBF-IDCNUPLLSA-N 1 2 373.497 2.608 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NCc1ccco1 ZINC001110888776 1017222926 /nfs/dbraw/zinc/22/29/26/1017222926.db2.gz UNCAIKUZJXWMBF-IDCNUPLLSA-N 1 2 373.497 2.608 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001057760602 1017406470 /nfs/dbraw/zinc/40/64/70/1017406470.db2.gz XBXPIUDROGTZFC-BBWFWOEESA-N 1 2 356.470 2.656 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cc(CC)[nH+]c(C)n2)cc1 ZINC001055427887 1017479239 /nfs/dbraw/zinc/47/92/39/1017479239.db2.gz ZHCXDXMQGZUDEN-AQNXPRMDSA-N 1 2 360.461 2.868 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+](CN3CCC4(CCOCC4)C3=O)CC2)cc1 ZINC000777537901 1017535258 /nfs/dbraw/zinc/53/52/58/1017535258.db2.gz GLUMQPJVUXSYPI-UHFFFAOYSA-N 1 2 351.450 2.634 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+](CN3CCC4(CCOCC4)C3=O)CC2)cc1 ZINC000777537901 1017535268 /nfs/dbraw/zinc/53/52/68/1017535268.db2.gz GLUMQPJVUXSYPI-UHFFFAOYSA-N 1 2 351.450 2.634 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COc3ccc(F)cc3C1)C2 ZINC001097534144 1017577255 /nfs/dbraw/zinc/57/72/55/1017577255.db2.gz HIIUIJJNEFJHMT-DZUCGIPZSA-N 1 2 364.848 2.851 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COc3ccc(F)cc3C1)C2 ZINC001097534144 1017577261 /nfs/dbraw/zinc/57/72/61/1017577261.db2.gz HIIUIJJNEFJHMT-DZUCGIPZSA-N 1 2 364.848 2.851 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(c2ccccc2)C1=O ZINC001110898579 1017593628 /nfs/dbraw/zinc/59/36/28/1017593628.db2.gz LMHBACRYMHZYBR-YRXWBPOGSA-N 1 2 367.493 2.726 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(c2ccccc2)C1=O ZINC001110898579 1017593635 /nfs/dbraw/zinc/59/36/35/1017593635.db2.gz LMHBACRYMHZYBR-YRXWBPOGSA-N 1 2 367.493 2.726 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1c1nccs1)C2 ZINC001097581866 1017664530 /nfs/dbraw/zinc/66/45/30/1017664530.db2.gz SFDLUUNNFCLBGR-APIJFGDWSA-N 1 2 366.918 2.586 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1c1nccs1)C2 ZINC001097581866 1017664532 /nfs/dbraw/zinc/66/45/32/1017664532.db2.gz SFDLUUNNFCLBGR-APIJFGDWSA-N 1 2 366.918 2.586 20 30 FFEDLO Cc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001097752806 1017908642 /nfs/dbraw/zinc/90/86/42/1017908642.db2.gz YDDVGUAIGADVQU-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001097752806 1017908655 /nfs/dbraw/zinc/90/86/55/1017908655.db2.gz YDDVGUAIGADVQU-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c(Br)c1 ZINC001137632998 1032729866 /nfs/dbraw/zinc/72/98/66/1032729866.db2.gz WGXQWSNZGGTVBP-NEPJUHHUSA-N 1 2 363.177 2.923 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c(Br)c1 ZINC001137632998 1032729870 /nfs/dbraw/zinc/72/98/70/1032729870.db2.gz WGXQWSNZGGTVBP-NEPJUHHUSA-N 1 2 363.177 2.923 20 30 FFEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3cccc(S(=O)(=O)N(C)C)c3)n21 ZINC000748996881 1017929958 /nfs/dbraw/zinc/92/99/58/1017929958.db2.gz BVBYDYNTXUSKMF-KHPPLWFESA-N 1 2 369.446 2.789 20 30 FFEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1)CCO2 ZINC001053291836 1018236277 /nfs/dbraw/zinc/23/62/77/1018236277.db2.gz JBUNJNCFOHYEJS-ICSRJNTNSA-N 1 2 370.493 2.678 20 30 FFEDLO CC[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cccc(C#N)c1O ZINC000926773179 1018246205 /nfs/dbraw/zinc/24/62/05/1018246205.db2.gz UVNQSJNHJOCXFP-UYAOXDASSA-N 1 2 366.465 2.601 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@@H+](CCc3c(F)cccc3Cl)C[C@@H]21 ZINC001217510301 1032763797 /nfs/dbraw/zinc/76/37/97/1032763797.db2.gz GLLOHJXUMIMORJ-ZWKOTPCHSA-N 1 2 366.864 2.899 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@H+](CCc3c(F)cccc3Cl)C[C@@H]21 ZINC001217510301 1032763812 /nfs/dbraw/zinc/76/38/12/1032763812.db2.gz GLLOHJXUMIMORJ-ZWKOTPCHSA-N 1 2 366.864 2.899 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000827845820 1018795222 /nfs/dbraw/zinc/79/52/22/1018795222.db2.gz VKHIOCFSXLAOEE-IBGZPJMESA-N 1 2 368.481 2.834 20 30 FFEDLO Cc1cccn2cc(CC(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)[nH+]c12 ZINC000928723806 1019099053 /nfs/dbraw/zinc/09/90/53/1019099053.db2.gz ZZCMEVUMPKTJKV-KRWDZBQOSA-N 1 2 374.448 2.555 20 30 FFEDLO Cc1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c(C)n1 ZINC001096190900 1019291897 /nfs/dbraw/zinc/29/18/97/1019291897.db2.gz LMHIUFGKGQHJOX-HOJAQTOUSA-N 1 2 361.449 2.500 20 30 FFEDLO Cc1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c(C)n1 ZINC001096190900 1019291905 /nfs/dbraw/zinc/29/19/05/1019291905.db2.gz LMHIUFGKGQHJOX-HOJAQTOUSA-N 1 2 361.449 2.500 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1cccc(C)c1 ZINC001110966700 1019379344 /nfs/dbraw/zinc/37/93/44/1019379344.db2.gz BQJOGHSGQWNORK-AQNXPRMDSA-N 1 2 369.509 2.689 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1cccc(C)c1 ZINC001110966700 1019379365 /nfs/dbraw/zinc/37/93/65/1019379365.db2.gz BQJOGHSGQWNORK-AQNXPRMDSA-N 1 2 369.509 2.689 20 30 FFEDLO C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1Nc1cccc(F)c1C#N ZINC001043395280 1019403190 /nfs/dbraw/zinc/40/31/90/1019403190.db2.gz AUTXAJNTHPVIAX-CXAGYDPISA-N 1 2 363.396 2.918 20 30 FFEDLO Cc1nocc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095950622 1019563592 /nfs/dbraw/zinc/56/35/92/1019563592.db2.gz WICVTODQCVOSEN-JLSDUUJJSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1nocc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095950622 1019563602 /nfs/dbraw/zinc/56/36/02/1019563602.db2.gz WICVTODQCVOSEN-JLSDUUJJSA-N 1 2 354.385 2.529 20 30 FFEDLO CC[C@@H](C)CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001217736577 1032853084 /nfs/dbraw/zinc/85/30/84/1032853084.db2.gz HPUXSWIAEYWFSB-LSTHTHJFSA-N 1 2 358.457 2.525 20 30 FFEDLO CC[C@@H](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001217736577 1032853091 /nfs/dbraw/zinc/85/30/91/1032853091.db2.gz HPUXSWIAEYWFSB-LSTHTHJFSA-N 1 2 358.457 2.525 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C2CCC(CCCC)CC2)[C@@H](n2ccnn2)C1 ZINC001070095023 1019798012 /nfs/dbraw/zinc/79/80/12/1019798012.db2.gz QQGKYCICMNWARV-TUNPWDSISA-N 1 2 371.529 2.640 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C2CCC(CCCC)CC2)[C@@H](n2ccnn2)C1 ZINC001070095023 1019798028 /nfs/dbraw/zinc/79/80/28/1019798028.db2.gz QQGKYCICMNWARV-TUNPWDSISA-N 1 2 371.529 2.640 20 30 FFEDLO CCOC(=O)c1cnc(N=NC(C)c2ccc(-n3cc[nH+]c3)cc2)nc1C ZINC000777890434 1019985099 /nfs/dbraw/zinc/98/50/99/1019985099.db2.gz NECNNTJUOQLFHG-UHFFFAOYSA-N 1 2 364.409 2.984 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CC(C)(C)CC(C)(C)C2)C[C@H]1NCC#N ZINC001070673478 1020059696 /nfs/dbraw/zinc/05/96/96/1020059696.db2.gz WCFRQHJHIGWUPS-IAGOWNOFSA-N 1 2 371.529 2.680 20 30 FFEDLO CC[C@H](C)c1ccc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)cc1 ZINC001070720823 1020087748 /nfs/dbraw/zinc/08/77/48/1020087748.db2.gz IXCDNZXDQZUNJN-KFKAGJAMSA-N 1 2 365.481 2.655 20 30 FFEDLO COc1ccc(CN2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c(C#N)c1 ZINC001137701005 1032879909 /nfs/dbraw/zinc/87/99/09/1032879909.db2.gz IHZFHXFISQQWGT-KRWDZBQOSA-N 1 2 366.465 2.822 20 30 FFEDLO C#C[C@H]1CCC[N@@H+](Cc2csc(CN3C(=O)c4ccccc4C3=O)n2)C1 ZINC000930884518 1020226049 /nfs/dbraw/zinc/22/60/49/1020226049.db2.gz CXYQZTCMESWTRY-AWEZNQCLSA-N 1 2 365.458 2.785 20 30 FFEDLO C#C[C@H]1CCC[N@H+](Cc2csc(CN3C(=O)c4ccccc4C3=O)n2)C1 ZINC000930884518 1020226053 /nfs/dbraw/zinc/22/60/53/1020226053.db2.gz CXYQZTCMESWTRY-AWEZNQCLSA-N 1 2 365.458 2.785 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001072748240 1020298651 /nfs/dbraw/zinc/29/86/51/1020298651.db2.gz YTCAWXRMLYJUBU-LPVIATNSSA-N 1 2 359.297 2.821 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C/Cl)C2 ZINC001072748240 1020298657 /nfs/dbraw/zinc/29/86/57/1020298657.db2.gz YTCAWXRMLYJUBU-LPVIATNSSA-N 1 2 359.297 2.821 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)cn1 ZINC001096382090 1020302690 /nfs/dbraw/zinc/30/26/90/1020302690.db2.gz AKXSDULRTNXYCM-GIVPXCGWSA-N 1 2 374.419 2.609 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)cn1 ZINC001096382090 1020302701 /nfs/dbraw/zinc/30/27/01/1020302701.db2.gz AKXSDULRTNXYCM-GIVPXCGWSA-N 1 2 374.419 2.609 20 30 FFEDLO C[C@]1(Cc2ccccc2)CCN(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1=O ZINC000902600026 1020331193 /nfs/dbraw/zinc/33/11/93/1020331193.db2.gz PAOBVZVRVWDWQD-OAQYLSRUSA-N 1 2 368.477 2.763 20 30 FFEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc(C#CCO)c3)n2)C1 ZINC000900327343 1020357877 /nfs/dbraw/zinc/35/78/77/1020357877.db2.gz QDGAZULFDVDRMW-HNNXBMFYSA-N 1 2 369.490 2.971 20 30 FFEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc(C#CCO)c3)n2)C1 ZINC000900327343 1020357881 /nfs/dbraw/zinc/35/78/81/1020357881.db2.gz QDGAZULFDVDRMW-HNNXBMFYSA-N 1 2 369.490 2.971 20 30 FFEDLO C/C(=C\C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)C[NH+]1CCOCC1 ZINC000900643984 1020561294 /nfs/dbraw/zinc/56/12/94/1020561294.db2.gz PZBLHSPLERYFCF-WQMJKPAKSA-N 1 2 367.371 2.665 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2cscn2)C3)ccc1F ZINC001096113639 1020714956 /nfs/dbraw/zinc/71/49/56/1020714956.db2.gz VDXWGVHISUUXID-NJAFHUGGSA-N 1 2 370.453 2.618 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2cscn2)C3)ccc1F ZINC001096113639 1020714965 /nfs/dbraw/zinc/71/49/65/1020714965.db2.gz VDXWGVHISUUXID-NJAFHUGGSA-N 1 2 370.453 2.618 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3ncon3)cc1)C2 ZINC001098237591 1020753293 /nfs/dbraw/zinc/75/32/93/1020753293.db2.gz VTWPVGDLCRTTML-OAGGEKHMSA-N 1 2 358.829 2.824 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3ncon3)cc1)C2 ZINC001098237591 1020753298 /nfs/dbraw/zinc/75/32/98/1020753298.db2.gz VTWPVGDLCRTTML-OAGGEKHMSA-N 1 2 358.829 2.824 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000932692825 1020873971 /nfs/dbraw/zinc/87/39/71/1020873971.db2.gz FLJBXZKHEDRSSV-IBGZPJMESA-N 1 2 363.433 2.549 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000932692825 1020873979 /nfs/dbraw/zinc/87/39/79/1020873979.db2.gz FLJBXZKHEDRSSV-IBGZPJMESA-N 1 2 363.433 2.549 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001098480346 1020949457 /nfs/dbraw/zinc/94/94/57/1020949457.db2.gz BXNIOCWLFBAWDQ-KFWWJZLASA-N 1 2 361.833 2.937 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001098480346 1020949465 /nfs/dbraw/zinc/94/94/65/1020949465.db2.gz BXNIOCWLFBAWDQ-KFWWJZLASA-N 1 2 361.833 2.937 20 30 FFEDLO Cc1noc(C[C@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000933569567 1021033467 /nfs/dbraw/zinc/03/34/67/1021033467.db2.gz KRKLCNZMYNDHJS-CYBMUJFWSA-N 1 2 373.844 2.796 20 30 FFEDLO Cc1noc(C[C@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000933569567 1021033472 /nfs/dbraw/zinc/03/34/72/1021033472.db2.gz KRKLCNZMYNDHJS-CYBMUJFWSA-N 1 2 373.844 2.796 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)N2CCSc3ccccc32)cc1 ZINC000749790852 1021035271 /nfs/dbraw/zinc/03/52/71/1021035271.db2.gz ZMLKFYXNDDFPTG-ZDUSSCGKSA-N 1 2 371.462 2.860 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCOC[C@H]1C[C@H]1CCCO1)c1ccccc1 ZINC000933690595 1021070654 /nfs/dbraw/zinc/07/06/54/1021070654.db2.gz VVYSBKMRHWLWPT-NJDAHSKKSA-N 1 2 356.466 2.697 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCOC[C@H]1C[C@H]1CCCO1)c1ccccc1 ZINC000933690595 1021070661 /nfs/dbraw/zinc/07/06/61/1021070661.db2.gz VVYSBKMRHWLWPT-NJDAHSKKSA-N 1 2 356.466 2.697 20 30 FFEDLO CCC(C)(C)CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218014208 1032955044 /nfs/dbraw/zinc/95/50/44/1032955044.db2.gz SLBDOHXXZOUOFR-VQTJNVASSA-N 1 2 354.494 2.776 20 30 FFEDLO CCC(C)(C)CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218014208 1032955054 /nfs/dbraw/zinc/95/50/54/1032955054.db2.gz SLBDOHXXZOUOFR-VQTJNVASSA-N 1 2 354.494 2.776 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)n2cccc2)C1 ZINC001098791402 1021149111 /nfs/dbraw/zinc/14/91/11/1021149111.db2.gz SZVPHSPKRARMSJ-ZOBUZTSGSA-N 1 2 366.303 2.928 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)n2cccc2)C1 ZINC001098791402 1021149116 /nfs/dbraw/zinc/14/91/16/1021149116.db2.gz SZVPHSPKRARMSJ-ZOBUZTSGSA-N 1 2 366.303 2.928 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccnn3C3CCC3)CC2)cc1 ZINC000934703800 1021362753 /nfs/dbraw/zinc/36/27/53/1021362753.db2.gz RJGZHHPZPLPLJC-UHFFFAOYSA-N 1 2 364.453 2.829 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@]3(NC(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)CCC[C@H]23)C1 ZINC001014324072 1021779784 /nfs/dbraw/zinc/77/97/84/1021779784.db2.gz HVWUNNJGKKRDCH-ODEMNLNRSA-N 1 2 368.481 2.509 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@]3(NC(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)CCC[C@H]23)C1 ZINC001014324072 1021779797 /nfs/dbraw/zinc/77/97/97/1021779797.db2.gz HVWUNNJGKKRDCH-ODEMNLNRSA-N 1 2 368.481 2.509 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001015819081 1021967198 /nfs/dbraw/zinc/96/71/98/1021967198.db2.gz CBIJUXNLNIEMSY-RYRKJORJSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001015819081 1021967213 /nfs/dbraw/zinc/96/72/13/1021967213.db2.gz CBIJUXNLNIEMSY-RYRKJORJSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001015819517 1021967336 /nfs/dbraw/zinc/96/73/36/1021967336.db2.gz KCAIRKHQVKSVKE-AYBZRNKSSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001015819517 1021967352 /nfs/dbraw/zinc/96/73/52/1021967352.db2.gz KCAIRKHQVKSVKE-AYBZRNKSSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3cc(C)n(C)n3)C2)C1 ZINC001099303931 1022261858 /nfs/dbraw/zinc/26/18/58/1022261858.db2.gz ZZDMSTWTVQONLC-HUUCEWRRSA-N 1 2 370.419 2.564 20 30 FFEDLO COc1cccc(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])c1 ZINC000119257303 1022557948 /nfs/dbraw/zinc/55/79/48/1022557948.db2.gz ZCWAQNGAAADTMP-UHFFFAOYSA-N 1 2 362.433 2.855 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc(C[NH+]2CCCC2)n1CCOC ZINC001122358956 1023215343 /nfs/dbraw/zinc/21/53/43/1023215343.db2.gz YSEDLKUMDGTOMH-UHFFFAOYSA-N 1 2 361.515 2.774 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@@H]2C2CCC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001122396113 1023241436 /nfs/dbraw/zinc/24/14/36/1023241436.db2.gz WYXDIEGMHWBUNE-QKLQHJQFSA-N 1 2 359.518 2.535 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@@H]2C2CCC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001122396113 1023241441 /nfs/dbraw/zinc/24/14/41/1023241441.db2.gz WYXDIEGMHWBUNE-QKLQHJQFSA-N 1 2 359.518 2.535 20 30 FFEDLO C#C[C@@H](CC)NC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000753262850 1023295978 /nfs/dbraw/zinc/29/59/78/1023295978.db2.gz ACPRVJAFLYHEID-HNNXBMFYSA-N 1 2 369.387 2.824 20 30 FFEDLO C=C(C)Cn1c(N2CCC(C3CCC3)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001122481997 1023296566 /nfs/dbraw/zinc/29/65/66/1023296566.db2.gz JIZJTMHDPUXWEK-NQIIRXRSSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC(C3CCC3)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001122481997 1023296576 /nfs/dbraw/zinc/29/65/76/1023296576.db2.gz JIZJTMHDPUXWEK-NQIIRXRSSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](C(C)(C)O)C1 ZINC001122622424 1023374557 /nfs/dbraw/zinc/37/45/57/1023374557.db2.gz BXXHOXIHZDDLGY-IAGOWNOFSA-N 1 2 361.534 2.998 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](C(C)(C)O)C1 ZINC001122622424 1023374561 /nfs/dbraw/zinc/37/45/61/1023374561.db2.gz BXXHOXIHZDDLGY-IAGOWNOFSA-N 1 2 361.534 2.998 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCO[C@@](C)(C2CC2)C1 ZINC001122626678 1023376860 /nfs/dbraw/zinc/37/68/60/1023376860.db2.gz ZTKOIJNPAKRUFG-HXUWFJFHSA-N 1 2 359.518 2.845 20 30 FFEDLO C(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000753932762 1023401429 /nfs/dbraw/zinc/40/14/29/1023401429.db2.gz AJSPEXDBKCOADO-KBPBESRZSA-N 1 2 369.450 2.733 20 30 FFEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(Cl)cc(F)c3O)C2=O)cc1 ZINC000754154368 1023432788 /nfs/dbraw/zinc/43/27/88/1023432788.db2.gz MVQJNWCDUUBRHK-QGZVFWFLSA-N 1 2 373.815 2.947 20 30 FFEDLO COc1cccc([C@H]2CN(C(=O)c3c(F)cc(C#N)cc3F)CC[NH2+]2)c1 ZINC001120765509 1023456682 /nfs/dbraw/zinc/45/66/82/1023456682.db2.gz DVGIMLOXXKCMNQ-QGZVFWFLSA-N 1 2 357.360 2.632 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1Cc1cccs1 ZINC001122950085 1023570439 /nfs/dbraw/zinc/57/04/39/1023570439.db2.gz GHPAJMWKURVHEE-NVXWUHKLSA-N 1 2 373.526 2.628 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1Cc1cccs1 ZINC001122950085 1023570444 /nfs/dbraw/zinc/57/04/44/1023570444.db2.gz GHPAJMWKURVHEE-NVXWUHKLSA-N 1 2 373.526 2.628 20 30 FFEDLO Cc1cc(C(=O)OCc2cc[nH+]c(N(C)C)c2)nn1-c1cccc(C#N)c1 ZINC000755893786 1023647046 /nfs/dbraw/zinc/64/70/46/1023647046.db2.gz IWNISPYMXXNBHB-UHFFFAOYSA-N 1 2 361.405 2.870 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)c1ccccc1F ZINC001123463051 1023814484 /nfs/dbraw/zinc/81/44/84/1023814484.db2.gz QHHFWZFWMQBEJG-UHFFFAOYSA-N 1 2 359.422 2.928 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001121533078 1023831770 /nfs/dbraw/zinc/83/17/70/1023831770.db2.gz PFCVZKAUIZWFLY-INIZCTEOSA-N 1 2 361.534 2.541 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C[C@@H](C)O)C1CC1 ZINC001121591180 1023867840 /nfs/dbraw/zinc/86/78/40/1023867840.db2.gz WDWZAHUTPJUJKV-NVXWUHKLSA-N 1 2 358.490 2.646 20 30 FFEDLO C=CCn1c(N2C[C@H](C)c3ccccc32)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121606821 1023878421 /nfs/dbraw/zinc/87/84/21/1023878421.db2.gz DKLXAGPBOOBFCN-MDOVXXIYSA-N 1 2 353.470 2.631 20 30 FFEDLO C=CCn1c(N2C[C@H](C)c3ccccc32)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121606821 1023878424 /nfs/dbraw/zinc/87/84/24/1023878424.db2.gz DKLXAGPBOOBFCN-MDOVXXIYSA-N 1 2 353.470 2.631 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001121613039 1023880784 /nfs/dbraw/zinc/88/07/84/1023880784.db2.gz SLXKWSXKHSXVOZ-QZTJIDSGSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001121613039 1023880795 /nfs/dbraw/zinc/88/07/95/1023880795.db2.gz SLXKWSXKHSXVOZ-QZTJIDSGSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CCn1c(-c2cnoc2C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001121623303 1023886913 /nfs/dbraw/zinc/88/69/13/1023886913.db2.gz ASCQUTNHEKKNSQ-UHFFFAOYSA-N 1 2 365.441 2.903 20 30 FFEDLO C=CCn1c(N2CC[C@H](CC(C)(C)C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001121708616 1023938533 /nfs/dbraw/zinc/93/85/33/1023938533.db2.gz NDKQSDSXKFKPDW-GQIGUUNPSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CC[C@H](CC(C)(C)C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121708616 1023938539 /nfs/dbraw/zinc/93/85/39/1023938539.db2.gz NDKQSDSXKFKPDW-GQIGUUNPSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)NC(=O)C1CCCC1)C2 ZINC001111512766 1024101520 /nfs/dbraw/zinc/10/15/20/1024101520.db2.gz PDLFMOKPWPVNDW-DZUCGIPZSA-N 1 2 367.921 2.545 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)NC(=O)C1CCCC1)C2 ZINC001111512766 1024101525 /nfs/dbraw/zinc/10/15/25/1024101525.db2.gz PDLFMOKPWPVNDW-DZUCGIPZSA-N 1 2 367.921 2.545 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001101243261 1024167918 /nfs/dbraw/zinc/16/79/18/1024167918.db2.gz VSAMBVVLQYDNTJ-SJORKVTESA-N 1 2 360.502 2.832 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CC4)no3)C[C@@]2(C)C1 ZINC001101248403 1024183270 /nfs/dbraw/zinc/18/32/70/1024183270.db2.gz ACXLWEGIEBDKPW-UTKZUKDTSA-N 1 2 370.497 2.996 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CC4)no3)C[C@@]2(C)C1 ZINC001101248403 1024183278 /nfs/dbraw/zinc/18/32/78/1024183278.db2.gz ACXLWEGIEBDKPW-UTKZUKDTSA-N 1 2 370.497 2.996 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001218523385 1033198926 /nfs/dbraw/zinc/19/89/26/1033198926.db2.gz MAXAFESJVMEIAQ-RYGJVYDSSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001218523385 1033198932 /nfs/dbraw/zinc/19/89/32/1033198932.db2.gz MAXAFESJVMEIAQ-RYGJVYDSSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001218524243 1033201425 /nfs/dbraw/zinc/20/14/25/1033201425.db2.gz VBHZSSSUADFKJH-JRGCBEDISA-N 1 2 370.468 2.691 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001218524243 1033201427 /nfs/dbraw/zinc/20/14/27/1033201427.db2.gz VBHZSSSUADFKJH-JRGCBEDISA-N 1 2 370.468 2.691 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CCC)c1ccccc1)C2 ZINC001111360582 1024377787 /nfs/dbraw/zinc/37/77/87/1024377787.db2.gz ROBNNMFPBUKJSP-WCIQWLHISA-N 1 2 369.509 2.594 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CCC)c1ccccc1)C2 ZINC001111360582 1024377803 /nfs/dbraw/zinc/37/78/03/1024377803.db2.gz ROBNNMFPBUKJSP-WCIQWLHISA-N 1 2 369.509 2.594 20 30 FFEDLO N#Cc1ccc([C@@H](O)C[NH+]2CC(OCCCOc3ccccc3)C2)cc1 ZINC000759066502 1024450196 /nfs/dbraw/zinc/45/01/96/1024450196.db2.gz HNVMUSLZAUTZJT-NRFANRHFSA-N 1 2 352.434 2.762 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3CCC)C[C@@]2(C)C1 ZINC001101338043 1024489008 /nfs/dbraw/zinc/48/90/08/1024489008.db2.gz VQVMBZZLWQVKAD-HLIPFELVSA-N 1 2 359.518 2.571 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3ncnn3CCC)C[C@@]2(C)C1 ZINC001101338043 1024489017 /nfs/dbraw/zinc/48/90/17/1024489017.db2.gz VQVMBZZLWQVKAD-HLIPFELVSA-N 1 2 359.518 2.571 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4ncnn4C)C[C@@]3(C)C2)CCCCC1 ZINC001101470298 1024825777 /nfs/dbraw/zinc/82/57/77/1024825777.db2.gz JWNXYECVYXPPSA-XLIONFOSSA-N 1 2 371.529 2.622 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4ncnn4C)C[C@@]3(C)C2)CCCCC1 ZINC001101470298 1024825798 /nfs/dbraw/zinc/82/57/98/1024825798.db2.gz JWNXYECVYXPPSA-XLIONFOSSA-N 1 2 371.529 2.622 20 30 FFEDLO C[C@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001101824159 1025090598 /nfs/dbraw/zinc/09/05/98/1025090598.db2.gz XVUGOJFPAFJNEB-GMTAPVOTSA-N 1 2 360.405 2.506 20 30 FFEDLO C[C@H](C#N)C(=O)NC[C@@H]1C[N@@H+](Cc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001101824159 1025090607 /nfs/dbraw/zinc/09/06/07/1025090607.db2.gz XVUGOJFPAFJNEB-GMTAPVOTSA-N 1 2 360.405 2.506 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-c3nc[nH]n3)c1)C2 ZINC001095859465 1025108123 /nfs/dbraw/zinc/10/81/23/1025108123.db2.gz WUUAOXPGXDYHKF-PMPSAXMXSA-N 1 2 357.845 2.559 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-c3nc[nH]n3)c1)C2 ZINC001095859465 1025108127 /nfs/dbraw/zinc/10/81/27/1025108127.db2.gz WUUAOXPGXDYHKF-PMPSAXMXSA-N 1 2 357.845 2.559 20 30 FFEDLO C=CCC(CC=C)C(=O)NC[C@@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001101997078 1025267968 /nfs/dbraw/zinc/26/79/68/1025267968.db2.gz WUJSWDJHBTYKBW-TZMCWYRMSA-N 1 2 368.428 2.960 20 30 FFEDLO C=CCC(CC=C)C(=O)NC[C@@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001101997078 1025267978 /nfs/dbraw/zinc/26/79/78/1025267978.db2.gz WUJSWDJHBTYKBW-TZMCWYRMSA-N 1 2 368.428 2.960 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](CCc2ccccc2F)C1 ZINC000953831431 1025362158 /nfs/dbraw/zinc/36/21/58/1025362158.db2.gz ZHCOREAJHODVCL-ICSRJNTNSA-N 1 2 360.473 2.882 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@@H](NC(=O)C2CCC2)[C@H]2OCCC[C@H]2C1 ZINC001141163445 1025546721 /nfs/dbraw/zinc/54/67/21/1025546721.db2.gz FFVZASJUGYXICM-DBVUQKKJSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@@H](NC(=O)C2CCC2)[C@H]2OCCC[C@H]2C1 ZINC001141163445 1025546733 /nfs/dbraw/zinc/54/67/33/1025546733.db2.gz FFVZASJUGYXICM-DBVUQKKJSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001141165948 1025551774 /nfs/dbraw/zinc/55/17/74/1025551774.db2.gz QBPQPLIPEIFKSV-ICSRJNTNSA-N 1 2 353.397 2.905 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001141165948 1025551785 /nfs/dbraw/zinc/55/17/85/1025551785.db2.gz QBPQPLIPEIFKSV-ICSRJNTNSA-N 1 2 353.397 2.905 20 30 FFEDLO C=CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2csc(NC(C)=O)n2)C[C@H]1C ZINC001102297983 1025708961 /nfs/dbraw/zinc/70/89/61/1025708961.db2.gz HWSZPRZQOOEKJY-UKRRQHHQSA-N 1 2 364.515 2.642 20 30 FFEDLO C=CCCCC(=O)NC[C@@H]1C[N@H+](Cc2csc(NC(C)=O)n2)C[C@H]1C ZINC001102297983 1025708976 /nfs/dbraw/zinc/70/89/76/1025708976.db2.gz HWSZPRZQOOEKJY-UKRRQHHQSA-N 1 2 364.515 2.642 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000838876450 1026523108 /nfs/dbraw/zinc/52/31/08/1026523108.db2.gz FYZFJNCCPLYQHB-HNNXBMFYSA-N 1 2 365.393 2.712 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000838876450 1026523113 /nfs/dbraw/zinc/52/31/13/1026523113.db2.gz FYZFJNCCPLYQHB-HNNXBMFYSA-N 1 2 365.393 2.712 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](Cc3cn4c(n3)COCC4)CC2)cc1Cl ZINC001141537296 1026529167 /nfs/dbraw/zinc/52/91/67/1026529167.db2.gz ORHTTXXZHOIGFJ-UHFFFAOYSA-N 1 2 372.856 2.982 20 30 FFEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000839602825 1026754200 /nfs/dbraw/zinc/75/42/00/1026754200.db2.gz ZEWQTPKKYBJJRX-KRWDZBQOSA-N 1 2 364.445 2.613 20 30 FFEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000839602825 1026754211 /nfs/dbraw/zinc/75/42/11/1026754211.db2.gz ZEWQTPKKYBJJRX-KRWDZBQOSA-N 1 2 364.445 2.613 20 30 FFEDLO CSc1nc(C[NH+]2CCC(Oc3cc(C)ncn3)CC2)ccc1C#N ZINC001141946069 1027199745 /nfs/dbraw/zinc/19/97/45/1027199745.db2.gz YMWBECJWTHRDJU-UHFFFAOYSA-N 1 2 355.467 2.817 20 30 FFEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccccc1OCC(=O)N(C)C ZINC000092541600 1027360318 /nfs/dbraw/zinc/36/03/18/1027360318.db2.gz ISJBBBLITVQEQN-UHFFFAOYSA-N 1 2 354.425 2.928 20 30 FFEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1OCC(=O)N(C)C ZINC000092541600 1027360339 /nfs/dbraw/zinc/36/03/39/1027360339.db2.gz ISJBBBLITVQEQN-UHFFFAOYSA-N 1 2 354.425 2.928 20 30 FFEDLO C=C1CC(C)(C(=O)NCC[C@@H]2C[N@H+](Cc3noc(CCC)n3)C[C@H]2C)C1 ZINC001103418623 1027441085 /nfs/dbraw/zinc/44/10/85/1027441085.db2.gz RFQMVVWHUHXEMD-HZPDHXFCSA-N 1 2 360.502 2.953 20 30 FFEDLO C=C1CC(C)(C(=O)NCC[C@@H]2C[N@@H+](Cc3noc(CCC)n3)C[C@H]2C)C1 ZINC001103418623 1027441094 /nfs/dbraw/zinc/44/10/94/1027441094.db2.gz RFQMVVWHUHXEMD-HZPDHXFCSA-N 1 2 360.502 2.953 20 30 FFEDLO COc1ccc(-c2noc([C@H](C)O[NH+]=C(N)Cc3cccnc3)n2)cc1 ZINC000092914928 1027504904 /nfs/dbraw/zinc/50/49/04/1027504904.db2.gz QBWUCPGEQAXQTE-LBPRGKRZSA-N 1 2 353.382 2.733 20 30 FFEDLO CCCN(Cc1ccc(C)cc1)C(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000092916012 1027507872 /nfs/dbraw/zinc/50/78/72/1027507872.db2.gz FNZDDHGRMGXDFH-UHFFFAOYSA-N 1 2 354.454 2.660 20 30 FFEDLO C=CCOC(=O)[C@@H](N)CCCCNc1cc2cc(OC)c(OC)cc2c[nH+]1 ZINC001159924828 1027537321 /nfs/dbraw/zinc/53/73/21/1027537321.db2.gz YJUKGWYFRMPPJI-INIZCTEOSA-N 1 2 373.453 2.891 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCC1=CC[N@H+]([C@@H](C)c2ncccn2)CC1 ZINC001160155920 1027612296 /nfs/dbraw/zinc/61/22/96/1027612296.db2.gz LJILYDODKFVWIM-UHOSZYNNSA-N 1 2 370.497 2.657 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2ncccn2)CC1 ZINC001160155920 1027612301 /nfs/dbraw/zinc/61/23/01/1027612301.db2.gz LJILYDODKFVWIM-UHOSZYNNSA-N 1 2 370.497 2.657 20 30 FFEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001161258215 1028100257 /nfs/dbraw/zinc/10/02/57/1028100257.db2.gz IRLVMYOJTUQONA-UKRRQHHQSA-N 1 2 357.292 2.601 20 30 FFEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001161258215 1028100270 /nfs/dbraw/zinc/10/02/70/1028100270.db2.gz IRLVMYOJTUQONA-UKRRQHHQSA-N 1 2 357.292 2.601 20 30 FFEDLO CC(C)n1c[nH+]cc1CNc1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C ZINC001161569208 1028233318 /nfs/dbraw/zinc/23/33/18/1028233318.db2.gz KXDINQRUPHBHIO-CQSZACIVSA-N 1 2 356.430 2.815 20 30 FFEDLO CCS(=O)(=O)c1ccc(CNc2[nH+]ccc3ccc(C#N)cc32)cn1 ZINC001154701340 1028414495 /nfs/dbraw/zinc/41/44/95/1028414495.db2.gz DMVCAJTVHARQRE-UHFFFAOYSA-N 1 2 352.419 2.907 20 30 FFEDLO Cc1c(=O)[nH]n(-c2ccccc2)c1Nc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001163110122 1028799538 /nfs/dbraw/zinc/79/95/38/1028799538.db2.gz WHXSSHLAZJUBQB-UHFFFAOYSA-N 1 2 360.421 2.932 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)OCC2CC2)C1 ZINC001111640786 1029012190 /nfs/dbraw/zinc/01/21/90/1029012190.db2.gz WCWMMSKXMIJYFI-QRTARXTBSA-N 1 2 371.319 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)OCC2CC2)C1 ZINC001111640786 1029012205 /nfs/dbraw/zinc/01/22/05/1029012205.db2.gz WCWMMSKXMIJYFI-QRTARXTBSA-N 1 2 371.319 2.681 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC001111662425 1029084030 /nfs/dbraw/zinc/08/40/30/1029084030.db2.gz WUSPMXUSYHXPIO-KKSFZXQISA-N 1 2 371.456 2.783 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC001111662425 1029084032 /nfs/dbraw/zinc/08/40/32/1029084032.db2.gz WUSPMXUSYHXPIO-KKSFZXQISA-N 1 2 371.456 2.783 20 30 FFEDLO CCc1noc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)n1 ZINC001111737365 1029293104 /nfs/dbraw/zinc/29/31/04/1029293104.db2.gz ARKNTIFTTPQMSX-AVYPCKFXSA-N 1 2 358.486 2.713 20 30 FFEDLO CCc1noc([C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)n1 ZINC001111737365 1029293120 /nfs/dbraw/zinc/29/31/20/1029293120.db2.gz ARKNTIFTTPQMSX-AVYPCKFXSA-N 1 2 358.486 2.713 20 30 FFEDLO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[NH2+]CC(F)(F)C1 ZINC001164502362 1029303642 /nfs/dbraw/zinc/30/36/42/1029303642.db2.gz QMRWLFGRNBNNDJ-UHFFFAOYSA-N 1 2 365.771 2.839 20 30 FFEDLO CC(C)c1noc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)n1 ZINC001111741720 1029308053 /nfs/dbraw/zinc/30/80/53/1029308053.db2.gz MBMUXRKHUQBLKA-UVFQYZLESA-N 1 2 356.470 2.638 20 30 FFEDLO CC(C)c1noc([C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)n1 ZINC001111741720 1029308069 /nfs/dbraw/zinc/30/80/69/1029308069.db2.gz MBMUXRKHUQBLKA-UVFQYZLESA-N 1 2 356.470 2.638 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(C3CCC3)no1)C2 ZINC001111743082 1029313797 /nfs/dbraw/zinc/31/37/97/1029313797.db2.gz YHAKRBHTHWYMBI-KKSFZXQISA-N 1 2 370.497 2.857 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(C3CCC3)no1)C2 ZINC001111743082 1029313809 /nfs/dbraw/zinc/31/38/09/1029313809.db2.gz YHAKRBHTHWYMBI-KKSFZXQISA-N 1 2 370.497 2.857 20 30 FFEDLO O=C(N[C@]12CCC[C@H]1C[N@H+](CCC(F)(F)F)C2)C(F)C(F)(F)F ZINC001111756075 1029350477 /nfs/dbraw/zinc/35/04/77/1029350477.db2.gz CNXLDEQNHULYQU-QXEWZRGKSA-N 1 2 350.278 2.810 20 30 FFEDLO O=C(N[C@]12CCC[C@H]1C[N@@H+](CCC(F)(F)F)C2)C(F)C(F)(F)F ZINC001111756075 1029350490 /nfs/dbraw/zinc/35/04/90/1029350490.db2.gz CNXLDEQNHULYQU-QXEWZRGKSA-N 1 2 350.278 2.810 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1nnc(C)[nH]1)C2 ZINC001111834086 1029585304 /nfs/dbraw/zinc/58/53/04/1029585304.db2.gz MNUUWACLZLUDQX-KNBMTAEXSA-N 1 2 357.502 2.729 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1nnc(C)[nH]1)C2 ZINC001111834086 1029585308 /nfs/dbraw/zinc/58/53/08/1029585308.db2.gz MNUUWACLZLUDQX-KNBMTAEXSA-N 1 2 357.502 2.729 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1nnc(CC)[nH]1)C2 ZINC001111834173 1029585522 /nfs/dbraw/zinc/58/55/22/1029585522.db2.gz NFKAVDVJWAKQMG-WWMYMODYSA-N 1 2 371.529 2.983 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1nnc(CC)[nH]1)C2 ZINC001111834173 1029585527 /nfs/dbraw/zinc/58/55/27/1029585527.db2.gz NFKAVDVJWAKQMG-WWMYMODYSA-N 1 2 371.529 2.983 20 30 FFEDLO CC(C)[NH+]1CC(NC(F)(F)c2nc(Cl)c(C#N)c(C(F)(F)F)n2)C1 ZINC001157530060 1029608181 /nfs/dbraw/zinc/60/81/81/1029608181.db2.gz OZJUFXGILAXMTN-UHFFFAOYSA-N 1 2 369.725 2.752 20 30 FFEDLO N#Cc1cc(F)c(Cl)nc1N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001165547804 1030021199 /nfs/dbraw/zinc/02/11/99/1030021199.db2.gz QTPUOYCPOGQGIH-UHFFFAOYSA-N 1 2 358.764 2.541 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001112108321 1030024239 /nfs/dbraw/zinc/02/42/39/1030024239.db2.gz ACKLEGMPXJZWTE-ZIAGYGMSSA-N 1 2 358.408 2.501 20 30 FFEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1c1ccc(Cl)c(C#N)n1 ZINC001165653023 1030070669 /nfs/dbraw/zinc/07/06/69/1030070669.db2.gz QODJMBDMLOZVQC-INIZCTEOSA-N 1 2 372.860 2.624 20 30 FFEDLO N#CCc1cc[nH+]c(N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)c1 ZINC001165762690 1030115771 /nfs/dbraw/zinc/11/57/71/1030115771.db2.gz DOVFUHGNAGWCLG-INIZCTEOSA-N 1 2 368.412 2.889 20 30 FFEDLO Cc1cc(N(C)C)ccc1C=[NH+]Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000841623934 1030376039 /nfs/dbraw/zinc/37/60/39/1030376039.db2.gz LEMDJDCYXRHYRQ-UHFFFAOYSA-N 1 2 372.494 2.948 20 30 FFEDLO CCN(CC)c1ccnc([C@@H]2COCCN2c2ccc(CC#N)c(C)[nH+]2)n1 ZINC001166431751 1030404628 /nfs/dbraw/zinc/40/46/28/1030404628.db2.gz XUSFXZACPKYKHU-KRWDZBQOSA-N 1 2 366.469 2.670 20 30 FFEDLO Cc1nsc(NCCC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1C#N ZINC001115110511 1031050111 /nfs/dbraw/zinc/05/01/11/1031050111.db2.gz VQGDAWWTCIYTAZ-CYZMBNFOSA-N 1 2 358.471 2.547 20 30 FFEDLO Cc1nsc(NCCC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1C#N ZINC001115110511 1031050128 /nfs/dbraw/zinc/05/01/28/1031050128.db2.gz VQGDAWWTCIYTAZ-CYZMBNFOSA-N 1 2 358.471 2.547 20 30 FFEDLO N#Cc1ccc(F)c(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1F ZINC001143164338 1031278801 /nfs/dbraw/zinc/27/88/01/1031278801.db2.gz DLUIETYCBDEFOL-UHFFFAOYSA-N 1 2 371.387 2.883 20 30 FFEDLO N#Cc1ccc(F)c(C[NH+]2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c1F ZINC001143169504 1031280227 /nfs/dbraw/zinc/28/02/27/1031280227.db2.gz HNVQDVAQLGNOBX-ZIAGYGMSSA-N 1 2 360.433 2.857 20 30 FFEDLO Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)cc1C#N ZINC000799302313 1031729288 /nfs/dbraw/zinc/72/92/88/1031729288.db2.gz GWDLZJMJCYFHGC-UHFFFAOYSA-N 1 2 362.433 2.507 20 30 FFEDLO CSc1nc(C2CC2)cc(C(=O)N2CCc3cc[nH+]c(N)c3C2)c1C#N ZINC001150700817 1031771872 /nfs/dbraw/zinc/77/18/72/1031771872.db2.gz CLWUHQFSOPGCPS-UHFFFAOYSA-N 1 2 365.462 2.728 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001205563293 1031837733 /nfs/dbraw/zinc/83/77/33/1031837733.db2.gz NQRHOPRAOXLNFB-DOTOQJQBSA-N 1 2 358.417 2.568 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]Cc2ncccn2)C1 ZINC001205607694 1031867266 /nfs/dbraw/zinc/86/72/66/1031867266.db2.gz NYEVDTAHABTSOZ-PKOBYXMFSA-N 1 2 366.440 2.503 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2coc(-c3ccc(F)cc3)n2)C1=O ZINC001276900556 1033495165 /nfs/dbraw/zinc/49/51/65/1033495165.db2.gz BCODPJWOGYMYCZ-HXUWFJFHSA-N 1 2 353.397 2.681 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2coc(-c3ccc(F)cc3)n2)C1=O ZINC001276900556 1033495171 /nfs/dbraw/zinc/49/51/71/1033495171.db2.gz BCODPJWOGYMYCZ-HXUWFJFHSA-N 1 2 353.397 2.681 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000830229745 1033524526 /nfs/dbraw/zinc/52/45/26/1033524526.db2.gz FSNAPCQAOZFWKW-LPHOPBHVSA-N 1 2 362.433 2.725 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000830229745 1033524528 /nfs/dbraw/zinc/52/45/28/1033524528.db2.gz FSNAPCQAOZFWKW-LPHOPBHVSA-N 1 2 362.433 2.725 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000830229746 1033524633 /nfs/dbraw/zinc/52/46/33/1033524633.db2.gz FSNAPCQAOZFWKW-QFBILLFUSA-N 1 2 362.433 2.725 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000830229746 1033524640 /nfs/dbraw/zinc/52/46/40/1033524640.db2.gz FSNAPCQAOZFWKW-QFBILLFUSA-N 1 2 362.433 2.725 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cnn2ccc(Cl)nc12 ZINC001276910682 1033544991 /nfs/dbraw/zinc/54/49/91/1033544991.db2.gz YOCAJWSPIDJCLG-SFHVURJKSA-N 1 2 359.861 2.526 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cnn2ccc(Cl)nc12 ZINC001276910682 1033545000 /nfs/dbraw/zinc/54/50/00/1033545000.db2.gz YOCAJWSPIDJCLG-SFHVURJKSA-N 1 2 359.861 2.526 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC2(CCC2)O1 ZINC000830728402 1033767923 /nfs/dbraw/zinc/76/79/23/1033767923.db2.gz GYFCCXFGXLPVAU-GDBMZVCRSA-N 1 2 362.433 2.867 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC2(CCC2)O1 ZINC000830728402 1033767937 /nfs/dbraw/zinc/76/79/37/1033767937.db2.gz GYFCCXFGXLPVAU-GDBMZVCRSA-N 1 2 362.433 2.867 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O)C(C)(C)C ZINC001219882137 1033866922 /nfs/dbraw/zinc/86/69/22/1033866922.db2.gz VHZZSGYLQFBLKE-QGTPRVQTSA-N 1 2 362.901 2.535 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O)C(C)(C)C ZINC001219882137 1033866939 /nfs/dbraw/zinc/86/69/39/1033866939.db2.gz VHZZSGYLQFBLKE-QGTPRVQTSA-N 1 2 362.901 2.535 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1O ZINC001220133540 1033997061 /nfs/dbraw/zinc/99/70/61/1033997061.db2.gz DNRVAJDPGBZLRR-MOPGFXCFSA-N 1 2 369.465 2.605 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1O ZINC001220133540 1033997072 /nfs/dbraw/zinc/99/70/72/1033997072.db2.gz DNRVAJDPGBZLRR-MOPGFXCFSA-N 1 2 369.465 2.605 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001220200940 1034042836 /nfs/dbraw/zinc/04/28/36/1034042836.db2.gz ALKNMDLSPXMMOK-XYPHTWIQSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001220200940 1034042841 /nfs/dbraw/zinc/04/28/41/1034042841.db2.gz ALKNMDLSPXMMOK-XYPHTWIQSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)C[C@@H]1O ZINC001220205953 1034046557 /nfs/dbraw/zinc/04/65/57/1034046557.db2.gz RTGZMJSGIOPPNK-QGTPRVQTSA-N 1 2 350.890 2.912 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)C[C@@H]1O ZINC001220205953 1034046570 /nfs/dbraw/zinc/04/65/70/1034046570.db2.gz RTGZMJSGIOPPNK-QGTPRVQTSA-N 1 2 350.890 2.912 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@]23CCN(Cc2cnoc2)C3=O)c(Cl)c1 ZINC001277030959 1034193912 /nfs/dbraw/zinc/19/39/12/1034193912.db2.gz OTWOXIWLEBMQAK-IBGZPJMESA-N 1 2 370.840 2.967 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@]23CCN(Cc2cnoc2)C3=O)c(Cl)c1 ZINC001277030959 1034193923 /nfs/dbraw/zinc/19/39/23/1034193923.db2.gz OTWOXIWLEBMQAK-IBGZPJMESA-N 1 2 370.840 2.967 20 30 FFEDLO CC[C@H](CC1CCCC1)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220472468 1034202793 /nfs/dbraw/zinc/20/27/93/1034202793.db2.gz ZYUHJYYQNZRYTH-VSKRKVRLSA-N 1 2 368.521 2.806 20 30 FFEDLO CC[C@H](CC1CCCC1)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220472468 1034202802 /nfs/dbraw/zinc/20/28/02/1034202802.db2.gz ZYUHJYYQNZRYTH-VSKRKVRLSA-N 1 2 368.521 2.806 20 30 FFEDLO CC(C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001220579572 1034266991 /nfs/dbraw/zinc/26/69/91/1034266991.db2.gz CANJMHFITSRBLR-MOPGFXCFSA-N 1 2 361.461 2.575 20 30 FFEDLO CC(C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001220579572 1034267002 /nfs/dbraw/zinc/26/70/02/1034267002.db2.gz CANJMHFITSRBLR-MOPGFXCFSA-N 1 2 361.461 2.575 20 30 FFEDLO C[C@@H](CCC(C)(C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001220764147 1034385975 /nfs/dbraw/zinc/38/59/75/1034385975.db2.gz AUUFXQFOVXFWHK-XKQJLSEDSA-N 1 2 363.527 2.743 20 30 FFEDLO C[C@@H](CCC(C)(C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001220764147 1034385979 /nfs/dbraw/zinc/38/59/79/1034385979.db2.gz AUUFXQFOVXFWHK-XKQJLSEDSA-N 1 2 363.527 2.743 20 30 FFEDLO C=C(C)COc1ccccc1C[N@@H+]1CCO[C@@]2(CCCN(C(C)=O)C2)C1 ZINC001138663940 1034523099 /nfs/dbraw/zinc/52/30/99/1034523099.db2.gz GQVADCWVCMNLRG-NRFANRHFSA-N 1 2 358.482 2.855 20 30 FFEDLO C=C(C)COc1ccccc1C[N@H+]1CCO[C@@]2(CCCN(C(C)=O)C2)C1 ZINC001138663940 1034523101 /nfs/dbraw/zinc/52/31/01/1034523101.db2.gz GQVADCWVCMNLRG-NRFANRHFSA-N 1 2 358.482 2.855 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)CCCC3CCCC3)[C@@H](O)C2)s1 ZINC001221105372 1034547320 /nfs/dbraw/zinc/54/73/20/1034547320.db2.gz GKBBBIWHYGDHNI-MSOLQXFVSA-N 1 2 361.511 2.642 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)CCCC3CCCC3)[C@@H](O)C2)s1 ZINC001221105372 1034547331 /nfs/dbraw/zinc/54/73/31/1034547331.db2.gz GKBBBIWHYGDHNI-MSOLQXFVSA-N 1 2 361.511 2.642 20 30 FFEDLO N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C(F)C(F)(F)F)c1 ZINC001226356444 1034647869 /nfs/dbraw/zinc/64/78/69/1034647869.db2.gz VQCURWVHGFXUJU-KFWWJZLASA-N 1 2 357.351 2.976 20 30 FFEDLO N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](F)C(F)(F)F)c1 ZINC001226356444 1034647879 /nfs/dbraw/zinc/64/78/79/1034647879.db2.gz VQCURWVHGFXUJU-KFWWJZLASA-N 1 2 357.351 2.976 20 30 FFEDLO N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(F)C(F)(F)F ZINC001226366606 1034654405 /nfs/dbraw/zinc/65/44/05/1034654405.db2.gz YHDSJZSNBSPOTB-KFWWJZLASA-N 1 2 357.351 2.976 20 30 FFEDLO N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](F)C(F)(F)F ZINC001226366606 1034654410 /nfs/dbraw/zinc/65/44/10/1034654410.db2.gz YHDSJZSNBSPOTB-KFWWJZLASA-N 1 2 357.351 2.976 20 30 FFEDLO CCO[C@@H](CC)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221373403 1034696587 /nfs/dbraw/zinc/69/65/87/1034696587.db2.gz SVKOZKSEDJZLNL-LZQZEXGQSA-N 1 2 359.445 2.545 20 30 FFEDLO CCO[C@@H](CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221373403 1034696594 /nfs/dbraw/zinc/69/65/94/1034696594.db2.gz SVKOZKSEDJZLNL-LZQZEXGQSA-N 1 2 359.445 2.545 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@H](C)CCCC(C)C)C[C@H]21 ZINC001221430465 1034747399 /nfs/dbraw/zinc/74/73/99/1034747399.db2.gz FOPSXIRGSWNDPN-GUDVDZBRSA-N 1 2 363.546 2.816 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@H](C)CCCC(C)C)C[C@H]21 ZINC001221430465 1034747410 /nfs/dbraw/zinc/74/74/10/1034747410.db2.gz FOPSXIRGSWNDPN-GUDVDZBRSA-N 1 2 363.546 2.816 20 30 FFEDLO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001138858039 1034749484 /nfs/dbraw/zinc/74/94/84/1034749484.db2.gz VAWNQPXGEIPFCF-KRWDZBQOSA-N 1 2 354.410 2.501 20 30 FFEDLO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001138858039 1034749503 /nfs/dbraw/zinc/74/95/03/1034749503.db2.gz VAWNQPXGEIPFCF-KRWDZBQOSA-N 1 2 354.410 2.501 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2noc(C(C)C)n2)CCC1 ZINC001226720782 1034805536 /nfs/dbraw/zinc/80/55/36/1034805536.db2.gz VZXDXQNEEILANS-HZPDHXFCSA-N 1 2 358.486 2.904 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)ccc3Cl)C[C@H]21 ZINC001221517542 1034834775 /nfs/dbraw/zinc/83/47/75/1034834775.db2.gz BRBSICOBUJRMCT-XVSDVWIESA-N 1 2 366.864 2.839 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)ccc3Cl)C[C@H]21 ZINC001221517542 1034834788 /nfs/dbraw/zinc/83/47/88/1034834788.db2.gz BRBSICOBUJRMCT-XVSDVWIESA-N 1 2 366.864 2.839 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[N@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC001221517783 1034837590 /nfs/dbraw/zinc/83/75/90/1034837590.db2.gz JWFYRKQYEMYWHY-OMWUSAIZSA-N 1 2 366.864 2.839 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC001221517783 1034837600 /nfs/dbraw/zinc/83/76/00/1034837600.db2.gz JWFYRKQYEMYWHY-OMWUSAIZSA-N 1 2 366.864 2.839 20 30 FFEDLO CCO[C@H](C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21)C1CC1 ZINC001221558716 1034873750 /nfs/dbraw/zinc/87/37/50/1034873750.db2.gz LEWZHWZPKBPQJQ-NRSPTQNISA-N 1 2 370.468 2.525 20 30 FFEDLO CCO[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21)C1CC1 ZINC001221558716 1034873754 /nfs/dbraw/zinc/87/37/54/1034873754.db2.gz LEWZHWZPKBPQJQ-NRSPTQNISA-N 1 2 370.468 2.525 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(CC)CC)C[C@H]21 ZINC001221572238 1034886177 /nfs/dbraw/zinc/88/61/77/1034886177.db2.gz VXNMQMOALQQETG-IEBWSBKVSA-N 1 2 361.530 2.592 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(CC)CC)C[C@H]21 ZINC001221572238 1034886187 /nfs/dbraw/zinc/88/61/87/1034886187.db2.gz VXNMQMOALQQETG-IEBWSBKVSA-N 1 2 361.530 2.592 20 30 FFEDLO C=CCOc1ccccc1C[N@@H+]1CCN(Cc2ccccc2)[C@H](CO)C1 ZINC001139026885 1034893568 /nfs/dbraw/zinc/89/35/68/1034893568.db2.gz DUMUXNFTZUOMJU-NRFANRHFSA-N 1 2 352.478 2.930 20 30 FFEDLO C=CCOc1ccccc1C[N@H+]1CCN(Cc2ccccc2)[C@H](CO)C1 ZINC001139026885 1034893576 /nfs/dbraw/zinc/89/35/76/1034893576.db2.gz DUMUXNFTZUOMJU-NRFANRHFSA-N 1 2 352.478 2.930 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221718373 1035007994 /nfs/dbraw/zinc/00/79/94/1035007994.db2.gz MWRPHMCDKYEYDQ-KCZVDYSFSA-N 1 2 367.493 2.820 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221718373 1035008003 /nfs/dbraw/zinc/00/80/03/1035008003.db2.gz MWRPHMCDKYEYDQ-KCZVDYSFSA-N 1 2 367.493 2.820 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C[NH+]3CCN(c4ccncn4)CC3)cn2)cc1 ZINC001139427566 1035102834 /nfs/dbraw/zinc/10/28/34/1035102834.db2.gz KXDAFYQCHLWVTH-UHFFFAOYSA-N 1 2 372.432 2.858 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4cc(C)c(C)cc4o3)[C@@H]2C1 ZINC001221948024 1035172777 /nfs/dbraw/zinc/17/27/77/1035172777.db2.gz BCAHYFWLFPNTSC-IEBWSBKVSA-N 1 2 366.461 2.846 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4cc(C)c(C)cc4o3)[C@@H]2C1 ZINC001221948024 1035172781 /nfs/dbraw/zinc/17/27/81/1035172781.db2.gz BCAHYFWLFPNTSC-IEBWSBKVSA-N 1 2 366.461 2.846 20 30 FFEDLO C=CCn1cc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)cn1 ZINC001139771502 1035227040 /nfs/dbraw/zinc/22/70/40/1035227040.db2.gz FREQSXNNNDRMLG-ZIFCJYIRSA-N 1 2 374.510 2.722 20 30 FFEDLO C=CCn1cc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)cn1 ZINC001139771502 1035227043 /nfs/dbraw/zinc/22/70/43/1035227043.db2.gz FREQSXNNNDRMLG-ZIFCJYIRSA-N 1 2 374.510 2.722 20 30 FFEDLO N#CC[C@H]1CCC[N@@H+](Cc2sc(N3CCC(O)CC3)nc2Cl)C1 ZINC001140209216 1035382958 /nfs/dbraw/zinc/38/29/58/1035382958.db2.gz YMXHZLQTBORJQX-GFCCVEGCSA-N 1 2 354.907 2.883 20 30 FFEDLO N#CC[C@H]1CCC[N@H+](Cc2sc(N3CCC(O)CC3)nc2Cl)C1 ZINC001140209216 1035382961 /nfs/dbraw/zinc/38/29/61/1035382961.db2.gz YMXHZLQTBORJQX-GFCCVEGCSA-N 1 2 354.907 2.883 20 30 FFEDLO Cc1nc(Cl)nc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1[N+](=O)[O-] ZINC001227336220 1035509380 /nfs/dbraw/zinc/50/93/80/1035509380.db2.gz AIFCGZXFQPPQRE-CQSZACIVSA-N 1 2 373.800 2.872 20 30 FFEDLO Cc1nc(Cl)nc(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1[N+](=O)[O-] ZINC001227336220 1035509386 /nfs/dbraw/zinc/50/93/86/1035509386.db2.gz AIFCGZXFQPPQRE-CQSZACIVSA-N 1 2 373.800 2.872 20 30 FFEDLO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1csc(NC(C)=O)n1)C2 ZINC001232284447 1035550266 /nfs/dbraw/zinc/55/02/66/1035550266.db2.gz MAMBMMJQBVJJSK-WMZOPIPTSA-N 1 2 365.499 2.675 20 30 FFEDLO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1csc(NC(C)=O)n1)C2 ZINC001232284447 1035550275 /nfs/dbraw/zinc/55/02/75/1035550275.db2.gz MAMBMMJQBVJJSK-WMZOPIPTSA-N 1 2 365.499 2.675 20 30 FFEDLO Cc1ccc(OC(C)C)c(C[NH+]2CCN(c3nccnc3C#N)CC2)c1 ZINC001232397765 1035649147 /nfs/dbraw/zinc/64/91/47/1035649147.db2.gz AOSVLFFZWHHJPJ-UHFFFAOYSA-N 1 2 351.454 2.766 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cn3cc(F)ccc3n1)CCC2 ZINC001232410935 1035660281 /nfs/dbraw/zinc/66/02/81/1035660281.db2.gz NQNXKHLFDQXVSF-UHFFFAOYSA-N 1 2 355.417 2.778 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cn3cc(F)ccc3n1)CCC2 ZINC001232410935 1035660289 /nfs/dbraw/zinc/66/02/89/1035660289.db2.gz NQNXKHLFDQXVSF-UHFFFAOYSA-N 1 2 355.417 2.778 20 30 FFEDLO N#Cc1ccnc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC001232480229 1035725600 /nfs/dbraw/zinc/72/56/00/1035725600.db2.gz PTGGCQQDWWHRFC-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO N#Cc1ccnc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC001232480229 1035725613 /nfs/dbraw/zinc/72/56/13/1035725613.db2.gz PTGGCQQDWWHRFC-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO N#Cc1cc(Cl)ccc1CN1CC([NH+]2CCN(c3ccccn3)CC2)C1 ZINC001232609409 1035862884 /nfs/dbraw/zinc/86/28/84/1035862884.db2.gz BVKXQEYOBSWICR-UHFFFAOYSA-N 1 2 367.884 2.613 20 30 FFEDLO Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2cc(C#N)ccc2[O-])CC3)cn1 ZINC001232677148 1035935878 /nfs/dbraw/zinc/93/58/78/1035935878.db2.gz IJXWOKDZUZFNKE-UHFFFAOYSA-N 1 2 365.481 2.628 20 30 FFEDLO Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2cc(C#N)ccc2[O-])CC3)cn1 ZINC001232677148 1035935897 /nfs/dbraw/zinc/93/58/97/1035935897.db2.gz IJXWOKDZUZFNKE-UHFFFAOYSA-N 1 2 365.481 2.628 20 30 FFEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001233044505 1036287905 /nfs/dbraw/zinc/28/79/05/1036287905.db2.gz LMHYQPMMOMOPHM-MISYRCLQSA-N 1 2 352.438 2.620 20 30 FFEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001233044505 1036287912 /nfs/dbraw/zinc/28/79/12/1036287912.db2.gz LMHYQPMMOMOPHM-MISYRCLQSA-N 1 2 352.438 2.620 20 30 FFEDLO COc1ccc(NC(=O)NC2CC[NH+](Cc3[nH]ccc3C#N)CC2)cc1 ZINC001233048580 1036294947 /nfs/dbraw/zinc/29/49/47/1036294947.db2.gz IJWKSXAJDUTYLW-UHFFFAOYSA-N 1 2 353.426 2.681 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001228828857 1036349572 /nfs/dbraw/zinc/34/95/72/1036349572.db2.gz LEMDOLWMKILMLW-HUUCEWRRSA-N 1 2 362.522 2.547 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(O)c1 ZINC001233387347 1036587688 /nfs/dbraw/zinc/58/76/88/1036587688.db2.gz FWHWHCDRJOQXDM-UHFFFAOYSA-N 1 2 355.825 2.875 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@@H+](Cc3ccc(C(C)(C)C)cc3O)C[C@@]2(F)C1=O ZINC001277398463 1036739671 /nfs/dbraw/zinc/73/96/71/1036739671.db2.gz KHZAHEHARIQTAE-VQTJNVASSA-N 1 2 364.436 2.950 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@H+](Cc3ccc(C(C)(C)C)cc3O)C[C@@]2(F)C1=O ZINC001277398463 1036739690 /nfs/dbraw/zinc/73/96/90/1036739690.db2.gz KHZAHEHARIQTAE-VQTJNVASSA-N 1 2 364.436 2.950 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C[C@H]1C ZINC001206947253 1036964443 /nfs/dbraw/zinc/96/44/43/1036964443.db2.gz MFOGDZXHTHOVPV-OXQOHEQNSA-N 1 2 368.456 2.607 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)C[C@H]1C ZINC001206947253 1036964456 /nfs/dbraw/zinc/96/44/56/1036964456.db2.gz MFOGDZXHTHOVPV-OXQOHEQNSA-N 1 2 368.456 2.607 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2csc(-c3ccoc3)n2)C[C@H]1C ZINC001206947011 1036965287 /nfs/dbraw/zinc/96/52/87/1036965287.db2.gz BBMAQIGQXIKYMK-RHSMWYFYSA-N 1 2 357.479 2.999 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2csc(-c3ccoc3)n2)C[C@H]1C ZINC001206947011 1036965303 /nfs/dbraw/zinc/96/53/03/1036965303.db2.gz BBMAQIGQXIKYMK-RHSMWYFYSA-N 1 2 357.479 2.999 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206952962 1036977917 /nfs/dbraw/zinc/97/79/17/1036977917.db2.gz MGROCWKVEGMCNH-AUUYWEPGSA-N 1 2 367.424 2.831 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206952962 1036977932 /nfs/dbraw/zinc/97/79/32/1036977932.db2.gz MGROCWKVEGMCNH-AUUYWEPGSA-N 1 2 367.424 2.831 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC001206965285 1036992827 /nfs/dbraw/zinc/99/28/27/1036992827.db2.gz VWQIXJBUAIMKCC-PBFPGSCMSA-N 1 2 369.292 2.968 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC001206965285 1036992835 /nfs/dbraw/zinc/99/28/35/1036992835.db2.gz VWQIXJBUAIMKCC-PBFPGSCMSA-N 1 2 369.292 2.968 20 30 FFEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ncc(F)cc3F)C2)C1 ZINC001207094260 1037140054 /nfs/dbraw/zinc/14/00/54/1037140054.db2.gz SYAXSGDKBNJPHJ-SFHVURJKSA-N 1 2 351.397 2.970 20 30 FFEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3ncc(F)cc3F)C2)C1 ZINC001207094260 1037140060 /nfs/dbraw/zinc/14/00/60/1037140060.db2.gz SYAXSGDKBNJPHJ-SFHVURJKSA-N 1 2 351.397 2.970 20 30 FFEDLO Cn1cc(C[N@@H+]2CCO[C@]3(CCCN(c4ccccc4)C3)C2)cc1C#N ZINC001207104899 1037150854 /nfs/dbraw/zinc/15/08/54/1037150854.db2.gz JZHDMZVUXVYWAZ-OAQYLSRUSA-N 1 2 350.466 2.768 20 30 FFEDLO Cn1cc(C[N@H+]2CCO[C@]3(CCCN(c4ccccc4)C3)C2)cc1C#N ZINC001207104899 1037150858 /nfs/dbraw/zinc/15/08/58/1037150858.db2.gz JZHDMZVUXVYWAZ-OAQYLSRUSA-N 1 2 350.466 2.768 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(O)cc2)C[C@H]1C ZINC001207107180 1037153281 /nfs/dbraw/zinc/15/32/81/1037153281.db2.gz AOWZNUOUHAJXSK-DNVCBOLYSA-N 1 2 371.481 2.536 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(O)cc2)C[C@H]1C ZINC001207107180 1037153291 /nfs/dbraw/zinc/15/32/91/1037153291.db2.gz AOWZNUOUHAJXSK-DNVCBOLYSA-N 1 2 371.481 2.536 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC(C)(C)C=C)C2)c1 ZINC001207165391 1037213993 /nfs/dbraw/zinc/21/39/93/1037213993.db2.gz LZOWCUXYHLACLF-VQIMIIECSA-N 1 2 367.493 2.645 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC(C)(C)C=C)C2)c1 ZINC001207165391 1037214010 /nfs/dbraw/zinc/21/40/10/1037214010.db2.gz LZOWCUXYHLACLF-VQIMIIECSA-N 1 2 367.493 2.645 20 30 FFEDLO C=CCOC(=O)N1CC[NH+](C[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC001207317390 1037340946 /nfs/dbraw/zinc/34/09/46/1037340946.db2.gz DXXNCBVSMFHYFI-INIZCTEOSA-N 1 2 367.490 2.716 20 30 FFEDLO C=C(Cl)C[N@H+](CCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)Cc1cccnc1 ZINC001230855739 1037378250 /nfs/dbraw/zinc/37/82/50/1037378250.db2.gz AVPZPNCOINQGOJ-KURKYZTESA-N 1 2 363.889 2.710 20 30 FFEDLO C=C(Cl)C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)Cc1cccnc1 ZINC001230855739 1037378262 /nfs/dbraw/zinc/37/82/62/1037378262.db2.gz AVPZPNCOINQGOJ-KURKYZTESA-N 1 2 363.889 2.710 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3nc4ccccc4n3C)C[C@H]2C)CCC1 ZINC001207511034 1037508653 /nfs/dbraw/zinc/50/86/53/1037508653.db2.gz YOYKXHJHKZXCIX-SJLPKXTDSA-N 1 2 364.493 2.703 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3nc4ccccc4n3C)C[C@H]2C)CCC1 ZINC001207511034 1037508661 /nfs/dbraw/zinc/50/86/61/1037508661.db2.gz YOYKXHJHKZXCIX-SJLPKXTDSA-N 1 2 364.493 2.703 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1CC#N ZINC001235513416 1037598378 /nfs/dbraw/zinc/59/83/78/1037598378.db2.gz CKYCKJMTIJJAKV-OALUTQOASA-N 1 2 371.481 2.963 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1CC#N ZINC001235513416 1037598385 /nfs/dbraw/zinc/59/83/85/1037598385.db2.gz CKYCKJMTIJJAKV-OALUTQOASA-N 1 2 371.481 2.963 20 30 FFEDLO N#Cc1cc(F)c(C[N@H+]2CCC[C@@H](Oc3ccc(C(N)=O)cc3)C2)c(F)c1 ZINC001235659989 1037667524 /nfs/dbraw/zinc/66/75/24/1037667524.db2.gz BYJHSBPHWHFEOZ-MRXNPFEDSA-N 1 2 371.387 2.979 20 30 FFEDLO N#Cc1cc(F)c(C[N@@H+]2CCC[C@@H](Oc3ccc(C(N)=O)cc3)C2)c(F)c1 ZINC001235659989 1037667537 /nfs/dbraw/zinc/66/75/37/1037667537.db2.gz BYJHSBPHWHFEOZ-MRXNPFEDSA-N 1 2 371.387 2.979 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+]1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001231619773 1037739758 /nfs/dbraw/zinc/73/97/58/1037739758.db2.gz ZYYRISAJPDFAGH-SFHVURJKSA-N 1 2 366.465 2.822 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+]1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001231619773 1037739777 /nfs/dbraw/zinc/73/97/77/1037739777.db2.gz ZYYRISAJPDFAGH-SFHVURJKSA-N 1 2 366.465 2.822 20 30 FFEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC)Cc2nn(CC3CC3)cc21 ZINC001231618328 1037740190 /nfs/dbraw/zinc/74/01/90/1037740190.db2.gz FWWIVADHZHUHCH-SFHVURJKSA-N 1 2 366.465 2.919 20 30 FFEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)Cc2nn(CC3CC3)cc21 ZINC001231618328 1037740211 /nfs/dbraw/zinc/74/02/11/1037740211.db2.gz FWWIVADHZHUHCH-SFHVURJKSA-N 1 2 366.465 2.919 20 30 FFEDLO C#Cc1cccc(C[N@@H+](CCCNC(=O)OC(C)(C)C)CC(=O)OCC)c1 ZINC001231660545 1037787270 /nfs/dbraw/zinc/78/72/70/1037787270.db2.gz HURLOCPOXXQPPU-UHFFFAOYSA-N 1 2 374.481 2.948 20 30 FFEDLO C#Cc1cccc(C[N@H+](CCCNC(=O)OC(C)(C)C)CC(=O)OCC)c1 ZINC001231660545 1037787289 /nfs/dbraw/zinc/78/72/89/1037787289.db2.gz HURLOCPOXXQPPU-UHFFFAOYSA-N 1 2 374.481 2.948 20 30 FFEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1c(F)cc(O)cc1F)CC2 ZINC001276558886 1038086030 /nfs/dbraw/zinc/08/60/30/1038086030.db2.gz WRLMQVWIHWDSTO-OAHLLOKOSA-N 1 2 363.408 2.692 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cn(C)nc1C(F)(F)F)CCC2 ZINC001232093303 1038167715 /nfs/dbraw/zinc/16/77/15/1038167715.db2.gz RNYRFFNJKAWKFK-UHFFFAOYSA-N 1 2 369.391 2.744 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cn(C)nc1C(F)(F)F)CCC2 ZINC001232093303 1038167723 /nfs/dbraw/zinc/16/77/23/1038167723.db2.gz RNYRFFNJKAWKFK-UHFFFAOYSA-N 1 2 369.391 2.744 20 30 FFEDLO COc1ccnc(Cl)c1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001277611417 1038172514 /nfs/dbraw/zinc/17/25/14/1038172514.db2.gz BTEIACOWYLJMBG-HUUCEWRRSA-N 1 2 362.861 2.613 20 30 FFEDLO COc1ccnc(Cl)c1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001277611417 1038172520 /nfs/dbraw/zinc/17/25/20/1038172520.db2.gz BTEIACOWYLJMBG-HUUCEWRRSA-N 1 2 362.861 2.613 20 30 FFEDLO Cc1ncsc1CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(C#N)ccc1O)C2 ZINC001278894343 1038231463 /nfs/dbraw/zinc/23/14/63/1038231463.db2.gz ASWHESBEAGQQCR-WBVHZDCISA-N 1 2 354.479 2.735 20 30 FFEDLO Cc1ncsc1CN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(C#N)ccc1O)C2 ZINC001278894343 1038231473 /nfs/dbraw/zinc/23/14/73/1038231473.db2.gz ASWHESBEAGQQCR-WBVHZDCISA-N 1 2 354.479 2.735 20 30 FFEDLO CC(=O)[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C)cc1C#N)CC2 ZINC001278005259 1038235622 /nfs/dbraw/zinc/23/56/22/1038235622.db2.gz FEUWERITJNQUFN-DNVCBOLYSA-N 1 2 353.466 2.563 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccco3)no2)C[C@H]1C ZINC001208393607 1038280407 /nfs/dbraw/zinc/28/04/07/1038280407.db2.gz UIAIKWLRGUVAFL-QLFBSQMISA-N 1 2 358.442 2.868 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccco3)no2)C[C@H]1C ZINC001208393607 1038280418 /nfs/dbraw/zinc/28/04/18/1038280418.db2.gz UIAIKWLRGUVAFL-QLFBSQMISA-N 1 2 358.442 2.868 20 30 FFEDLO COc1cc(O)c(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)c(Br)c1 ZINC001237064782 1038431885 /nfs/dbraw/zinc/43/18/85/1038431885.db2.gz JDYAGINCLXWTGM-AWEZNQCLSA-N 1 2 370.268 2.937 20 30 FFEDLO COc1cc(O)c(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c(Br)c1 ZINC001237064782 1038431886 /nfs/dbraw/zinc/43/18/86/1038431886.db2.gz JDYAGINCLXWTGM-AWEZNQCLSA-N 1 2 370.268 2.937 20 30 FFEDLO C[C@@H](C#N)N(C)Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001237093310 1038441741 /nfs/dbraw/zinc/44/17/41/1038441741.db2.gz NMXJIEWQRQESTD-ZDUSSCGKSA-N 1 2 351.292 2.545 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1CCCc1ccccc1OC ZINC001208835729 1038548762 /nfs/dbraw/zinc/54/87/62/1038548762.db2.gz OJBDGAIOYIHOOD-SFHVURJKSA-N 1 2 356.470 2.558 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1CCCc1ccccc1OC ZINC001208835729 1038548767 /nfs/dbraw/zinc/54/87/67/1038548767.db2.gz OJBDGAIOYIHOOD-SFHVURJKSA-N 1 2 356.470 2.558 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2ccco2)C1 ZINC001209389914 1038815147 /nfs/dbraw/zinc/81/51/47/1038815147.db2.gz RBUOYCSHEFONKU-LALPHHSUSA-N 1 2 355.276 2.803 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2ccco2)C1 ZINC001209389914 1038815177 /nfs/dbraw/zinc/81/51/77/1038815177.db2.gz RBUOYCSHEFONKU-LALPHHSUSA-N 1 2 355.276 2.803 20 30 FFEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257575268 1038873816 /nfs/dbraw/zinc/87/38/16/1038873816.db2.gz VVMCWAUJBQODLT-CRWXNKLISA-N 1 2 360.520 2.614 20 30 FFEDLO CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001257627570 1038906310 /nfs/dbraw/zinc/90/63/10/1038906310.db2.gz RPTVQNAPUBHCFS-DOXZYTNZSA-N 1 2 365.474 2.553 20 30 FFEDLO CCOC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001257627570 1038906324 /nfs/dbraw/zinc/90/63/24/1038906324.db2.gz RPTVQNAPUBHCFS-DOXZYTNZSA-N 1 2 365.474 2.553 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+]([C@H]3COc4ccc(Cl)cc4C3)CC2)c1 ZINC001257968643 1039089555 /nfs/dbraw/zinc/08/95/55/1039089555.db2.gz NOBVVFNKGSYPBD-QGZVFWFLSA-N 1 2 354.841 2.732 20 30 FFEDLO N#Cc1ccc(F)cc1C(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001279093274 1039331141 /nfs/dbraw/zinc/33/11/41/1039331141.db2.gz LICVNIJRCAQYFO-UHFFFAOYSA-N 1 2 355.335 2.940 20 30 FFEDLO N#Cc1ccc(F)cc1C(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001279093274 1039331159 /nfs/dbraw/zinc/33/11/59/1039331159.db2.gz LICVNIJRCAQYFO-UHFFFAOYSA-N 1 2 355.335 2.940 20 30 FFEDLO CCOc1cc(CN2CC[NH2+]C[C@H]2C#N)ccc1OCc1ccccc1 ZINC001210123159 1039393536 /nfs/dbraw/zinc/39/35/36/1039393536.db2.gz ZLVPVMKOSUITKJ-LJQANCHMSA-N 1 2 351.450 2.962 20 30 FFEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001258546903 1039425465 /nfs/dbraw/zinc/42/54/65/1039425465.db2.gz ADHZMYPEZVXOAV-OLZOCXBDSA-N 1 2 360.520 2.616 20 30 FFEDLO O=C1C=C2C[N@H+]([C@H]3CCC(=O)N(Cc4ccccc4)CC3)CC[C@@H]2S1 ZINC001258582784 1039440723 /nfs/dbraw/zinc/44/07/23/1039440723.db2.gz JHYYZGLVVLRYBN-ROUUACIJSA-N 1 2 356.491 2.842 20 30 FFEDLO O=C1C=C2C[N@@H+]([C@H]3CCC(=O)N(Cc4ccccc4)CC3)CC[C@@H]2S1 ZINC001258582784 1039440728 /nfs/dbraw/zinc/44/07/28/1039440728.db2.gz JHYYZGLVVLRYBN-ROUUACIJSA-N 1 2 356.491 2.842 20 30 FFEDLO Cn1cc(CN2CC3(C2)C[NH+](Cc2c(O)cccc2Cl)C3)cc1C#N ZINC001278491523 1039885036 /nfs/dbraw/zinc/88/50/36/1039885036.db2.gz XDFCPZVMQJKINC-UHFFFAOYSA-N 1 2 356.857 2.574 20 30 FFEDLO C=CCCCCCC[C@H](O)C[N@H+]1CCc2c(nnn2C)[C@H]1COCC=C ZINC001253235969 1040059411 /nfs/dbraw/zinc/05/94/11/1040059411.db2.gz PMOOCLUSWSGDKQ-PKOBYXMFSA-N 1 2 362.518 2.804 20 30 FFEDLO C=CCCCCCC[C@H](O)C[N@@H+]1CCc2c(nnn2C)[C@H]1COCC=C ZINC001253235969 1040059429 /nfs/dbraw/zinc/05/94/29/1040059429.db2.gz PMOOCLUSWSGDKQ-PKOBYXMFSA-N 1 2 362.518 2.804 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3nnc(C)o3)C[C@H]2C)CCCCC1 ZINC001211410775 1040168501 /nfs/dbraw/zinc/16/85/01/1040168501.db2.gz HQSMNDWVQCYFDF-BFYDXBDKSA-N 1 2 358.486 2.849 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3nnc(C)o3)C[C@H]2C)CCCCC1 ZINC001211410775 1040168512 /nfs/dbraw/zinc/16/85/12/1040168512.db2.gz HQSMNDWVQCYFDF-BFYDXBDKSA-N 1 2 358.486 2.849 20 30 FFEDLO C[C@@](O)(C[N@H+](CCC#N)Cc1ccccc1)C(=O)OCc1ccccc1 ZINC001253620736 1040260853 /nfs/dbraw/zinc/26/08/53/1040260853.db2.gz NKLOSMAYRFHUSJ-OAQYLSRUSA-N 1 2 352.434 2.897 20 30 FFEDLO C[C@@](O)(C[N@@H+](CCC#N)Cc1ccccc1)C(=O)OCc1ccccc1 ZINC001253620736 1040260871 /nfs/dbraw/zinc/26/08/71/1040260871.db2.gz NKLOSMAYRFHUSJ-OAQYLSRUSA-N 1 2 352.434 2.897 20 30 FFEDLO C#CC[NH+]1CCN(Cc2ccc3nc(Br)sc3c2)CC1 ZINC001248596645 1040335963 /nfs/dbraw/zinc/33/59/63/1040335963.db2.gz WUFGHLKPZAUMEY-UHFFFAOYSA-N 1 2 350.285 2.810 20 30 FFEDLO C#CCN1CC[NH+](Cc2ccc3nc(Br)sc3c2)CC1 ZINC001248596645 1040335981 /nfs/dbraw/zinc/33/59/81/1040335981.db2.gz WUFGHLKPZAUMEY-UHFFFAOYSA-N 1 2 350.285 2.810 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(C)c(C)s2)C[C@H]1OC ZINC001213269276 1040394303 /nfs/dbraw/zinc/39/43/03/1040394303.db2.gz IBVAVDWNSPXOJS-IAGOWNOFSA-N 1 2 363.527 2.659 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2nc(C)c(C)s2)C[C@H]1OC ZINC001213269276 1040394322 /nfs/dbraw/zinc/39/43/22/1040394322.db2.gz IBVAVDWNSPXOJS-IAGOWNOFSA-N 1 2 363.527 2.659 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)C(C)(C)C ZINC001213275824 1040401322 /nfs/dbraw/zinc/40/13/22/1040401322.db2.gz UMELBNCAMXEOGG-RTBURBONSA-N 1 2 356.510 2.926 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)C(C)(C)C ZINC001213275824 1040401325 /nfs/dbraw/zinc/40/13/25/1040401325.db2.gz UMELBNCAMXEOGG-RTBURBONSA-N 1 2 356.510 2.926 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2oc(CCC)nc2C)C[C@H]1OC ZINC001213317217 1040440983 /nfs/dbraw/zinc/44/09/83/1040440983.db2.gz AHIISQQKRCMZOB-YXJHDRRASA-N 1 2 363.502 2.853 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2oc(CCC)nc2C)C[C@H]1OC ZINC001213317217 1040440990 /nfs/dbraw/zinc/44/09/90/1040440990.db2.gz AHIISQQKRCMZOB-YXJHDRRASA-N 1 2 363.502 2.853 20 30 FFEDLO CC(=O)NCSC[C@H]([NH3+])c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001248972636 1040537290 /nfs/dbraw/zinc/53/72/90/1040537290.db2.gz LGZDNFHPINJVAP-INIZCTEOSA-N 1 2 367.434 2.588 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CC(Oc3ccccc3C#N)C2)CC1=O ZINC001254263108 1040647514 /nfs/dbraw/zinc/64/75/14/1040647514.db2.gz VNGSIWMWZLSDQG-OAHLLOKOSA-N 1 2 371.437 2.547 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2c(C)nnn2-c2ccc(F)cc2)C1 ZINC001249452247 1040776497 /nfs/dbraw/zinc/77/64/97/1040776497.db2.gz WZFGCHGPDMGRSG-INIZCTEOSA-N 1 2 373.432 2.591 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2c(C)nnn2-c2ccc(F)cc2)C1 ZINC001249452247 1040776508 /nfs/dbraw/zinc/77/65/08/1040776508.db2.gz WZFGCHGPDMGRSG-INIZCTEOSA-N 1 2 373.432 2.591 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2c(Cl)ccc3ccccc32)C1 ZINC001213680782 1040789812 /nfs/dbraw/zinc/78/98/12/1040789812.db2.gz YJUQNBSOXVHGLH-HNNXBMFYSA-N 1 2 362.882 2.869 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(Cl)ccc3ccccc32)C1 ZINC001213680782 1040789827 /nfs/dbraw/zinc/78/98/27/1040789827.db2.gz YJUQNBSOXVHGLH-HNNXBMFYSA-N 1 2 362.882 2.869 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC2(CCC(N3CC[NH2+]C[C@H]3C#N)CC2)CC1 ZINC001254796068 1040960223 /nfs/dbraw/zinc/96/02/23/1040960223.db2.gz SFURJAIHTHUGMQ-QGZVFWFLSA-N 1 2 362.518 2.744 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CCc1cccs1 ZINC001213837550 1040980892 /nfs/dbraw/zinc/98/08/92/1040980892.db2.gz OBDWIGFCPGMHGP-WOJBJXKFSA-N 1 2 368.502 2.548 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CCc1cccs1 ZINC001213837550 1040980910 /nfs/dbraw/zinc/98/09/10/1040980910.db2.gz OBDWIGFCPGMHGP-WOJBJXKFSA-N 1 2 368.502 2.548 20 30 FFEDLO CCCCCC[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001213888057 1041028136 /nfs/dbraw/zinc/02/81/36/1041028136.db2.gz NJQSCDIOGXQCMB-SFHLNBCPSA-N 1 2 366.546 2.838 20 30 FFEDLO CCCCCC[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001213888057 1041028151 /nfs/dbraw/zinc/02/81/51/1041028151.db2.gz NJQSCDIOGXQCMB-SFHLNBCPSA-N 1 2 366.546 2.838 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H]([N@@H+]2Cc3cccc(C#N)c3C2)C1 ZINC001261799880 1041426458 /nfs/dbraw/zinc/42/64/58/1041426458.db2.gz AEJXVYHMCJNZHN-YLJYHZDGSA-N 1 2 357.454 2.634 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H]([N@H+]2Cc3cccc(C#N)c3C2)C1 ZINC001261799880 1041426460 /nfs/dbraw/zinc/42/64/60/1041426460.db2.gz AEJXVYHMCJNZHN-YLJYHZDGSA-N 1 2 357.454 2.634 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(Cc3ccccc3)o2)C1 ZINC001214743633 1041558844 /nfs/dbraw/zinc/55/88/44/1041558844.db2.gz HQKOZGJVACUGHB-SJLPKXTDSA-N 1 2 368.481 2.953 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(CC4CC4)no3)C2)CCC1 ZINC001215476691 1041798907 /nfs/dbraw/zinc/79/89/07/1041798907.db2.gz QPZRHGRXGCTYBM-GDBMZVCRSA-N 1 2 358.486 2.705 20 30 FFEDLO Cc1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)c(N(C)C)[nH+]1 ZINC001216089863 1041948892 /nfs/dbraw/zinc/94/88/92/1041948892.db2.gz JFDVBUISVNWBIT-UHFFFAOYSA-N 1 2 364.453 2.682 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+](Cc3c(Cl)ncnc3Cl)CC2)C1=O ZINC001276743116 1042060732 /nfs/dbraw/zinc/06/07/32/1042060732.db2.gz OXHYYLIQSARZKJ-QGZVFWFLSA-N 1 2 367.280 2.621 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+](Cc3c(Cl)ncnc3Cl)CC2)C1=O ZINC001276743116 1042060735 /nfs/dbraw/zinc/06/07/35/1042060735.db2.gz OXHYYLIQSARZKJ-QGZVFWFLSA-N 1 2 367.280 2.621 20 30 FFEDLO N#CC1CCN(c2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)CC1 ZINC001263162902 1042142876 /nfs/dbraw/zinc/14/28/76/1042142876.db2.gz AQAXXJAQOXTCNN-UHFFFAOYSA-N 1 2 350.470 2.662 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC001263301252 1042229099 /nfs/dbraw/zinc/22/90/99/1042229099.db2.gz LOBOBCHEGDBBAI-QWQRMKEZSA-N 1 2 369.460 2.870 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC001263301252 1042229103 /nfs/dbraw/zinc/22/91/03/1042229103.db2.gz LOBOBCHEGDBBAI-QWQRMKEZSA-N 1 2 369.460 2.870 20 30 FFEDLO C=CCOc1cccc(C[NH+]2CC3(CCN3C(=O)NCC(F)(F)F)C2)c1 ZINC001279299206 1042989562 /nfs/dbraw/zinc/98/95/62/1042989562.db2.gz UZDGCXCUEBQAKK-UHFFFAOYSA-N 1 2 369.387 2.783 20 30 FFEDLO CC(C)NC(=O)N1CC2(C1)CCC[N@H+](Cc1c(F)cc(C#N)cc1F)C2 ZINC001279392353 1043048218 /nfs/dbraw/zinc/04/82/18/1043048218.db2.gz SDRQTKNPPFXBMN-UHFFFAOYSA-N 1 2 362.424 2.852 20 30 FFEDLO CC(C)NC(=O)N1CC2(C1)CCC[N@@H+](Cc1c(F)cc(C#N)cc1F)C2 ZINC001279392353 1043048228 /nfs/dbraw/zinc/04/82/28/1043048228.db2.gz SDRQTKNPPFXBMN-UHFFFAOYSA-N 1 2 362.424 2.852 20 30 FFEDLO Cc1ncsc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1O ZINC001279497691 1043187634 /nfs/dbraw/zinc/18/76/34/1043187634.db2.gz LFAPMUOOTCKFDT-CALCHBBNSA-N 1 2 354.479 2.878 20 30 FFEDLO Cc1ncsc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1O ZINC001279497691 1043187636 /nfs/dbraw/zinc/18/76/36/1043187636.db2.gz LFAPMUOOTCKFDT-CALCHBBNSA-N 1 2 354.479 2.878 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](Cc2cccc(-c3ccccc3)n2)CC1 ZINC001237547770 1043232398 /nfs/dbraw/zinc/23/23/98/1043232398.db2.gz XKWSTQGLGJMUSG-UHFFFAOYSA-N 1 2 356.433 2.732 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)c(OC)ccc2OC)C1 ZINC001237593974 1043261033 /nfs/dbraw/zinc/26/10/33/1043261033.db2.gz YLIBMZGMCRMMON-CYBMUJFWSA-N 1 2 352.406 2.720 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)c(OC)ccc2OC)C1 ZINC001237593974 1043261043 /nfs/dbraw/zinc/26/10/43/1043261043.db2.gz YLIBMZGMCRMMON-CYBMUJFWSA-N 1 2 352.406 2.720 20 30 FFEDLO C#CC[NH+]1CCN(Cc2nn(C(=O)OC(C)(C)C)c3ccccc23)CC1 ZINC001237774847 1043348396 /nfs/dbraw/zinc/34/83/96/1043348396.db2.gz MSEBBGKCDAHRND-UHFFFAOYSA-N 1 2 354.454 2.570 20 30 FFEDLO C#C[C@H](NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)c1ccc(Cl)cc1 ZINC001309557265 1043433709 /nfs/dbraw/zinc/43/37/09/1043433709.db2.gz IJKIWJNLPDUMDD-SFHVURJKSA-N 1 2 374.893 2.981 20 30 FFEDLO C#C[C@H](NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)c1ccc(Cl)cc1 ZINC001309557265 1043433721 /nfs/dbraw/zinc/43/37/21/1043433721.db2.gz IJKIWJNLPDUMDD-SFHVURJKSA-N 1 2 374.893 2.981 20 30 FFEDLO C=CC[NH+](CC=C)CCN1CCN(Cc2cc(F)c(O)c(Cl)c2)CC1 ZINC001237995124 1043473664 /nfs/dbraw/zinc/47/36/64/1043473664.db2.gz MZHJRBOUIOUNGS-UHFFFAOYSA-N 1 2 367.896 2.976 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc3oc4ccccc4c3c2)C1 ZINC001309844972 1043551638 /nfs/dbraw/zinc/55/16/38/1043551638.db2.gz ZGKDYJMDYUHYRY-HNNXBMFYSA-N 1 2 368.458 2.962 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc3oc4ccccc4c3c2)C1 ZINC001309844972 1043551640 /nfs/dbraw/zinc/55/16/40/1043551640.db2.gz ZGKDYJMDYUHYRY-HNNXBMFYSA-N 1 2 368.458 2.962 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CCCC(F)(F)F)c1F ZINC001279763203 1043605697 /nfs/dbraw/zinc/60/56/97/1043605697.db2.gz SBJJDRHULMSVJW-IYBDPMFKSA-N 1 2 371.378 2.925 20 30 FFEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CCCC(F)(F)F)c1F ZINC001279763203 1043605701 /nfs/dbraw/zinc/60/57/01/1043605701.db2.gz SBJJDRHULMSVJW-IYBDPMFKSA-N 1 2 371.378 2.925 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCc3onc(C(=O)N4CC(CC#N)C4)c3C2)s1 ZINC001279779876 1043628831 /nfs/dbraw/zinc/62/88/31/1043628831.db2.gz MIDKAMFFUBNCRO-UHFFFAOYSA-N 1 2 356.451 2.589 20 30 FFEDLO Cc1ccc(C[N@H+]2CCc3onc(C(=O)N4CC(CC#N)C4)c3C2)s1 ZINC001279779876 1043628836 /nfs/dbraw/zinc/62/88/36/1043628836.db2.gz MIDKAMFFUBNCRO-UHFFFAOYSA-N 1 2 356.451 2.589 20 30 FFEDLO C=CCCNC(=S)N1CC2(C1)CC[N@H+](Cc1nc3ccccc3[nH]1)C2 ZINC001279937136 1043948995 /nfs/dbraw/zinc/94/89/95/1043948995.db2.gz XWPDSTVLRAOVKQ-UHFFFAOYSA-N 1 2 355.511 2.521 20 30 FFEDLO C=CCCNC(=S)N1CC2(C1)CC[N@@H+](Cc1nc3ccccc3[nH]1)C2 ZINC001279937136 1043949003 /nfs/dbraw/zinc/94/90/03/1043949003.db2.gz XWPDSTVLRAOVKQ-UHFFFAOYSA-N 1 2 355.511 2.521 20 30 FFEDLO N#CCC1CN(C(=O)[C@]23C[C@H]2CC[N@H+]3Cc2ccccc2Br)C1 ZINC001279944013 1043959628 /nfs/dbraw/zinc/95/96/28/1043959628.db2.gz GVDVNRHBCFOGMJ-QAPCUYQASA-N 1 2 374.282 2.786 20 30 FFEDLO N#CCC1CN(C(=O)[C@]23C[C@H]2CC[N@@H+]3Cc2ccccc2Br)C1 ZINC001279944013 1043959633 /nfs/dbraw/zinc/95/96/33/1043959633.db2.gz GVDVNRHBCFOGMJ-QAPCUYQASA-N 1 2 374.282 2.786 20 30 FFEDLO N#CCC1CN(C(=O)[C@@]23C[C@@H]2CC[N@H+]3Cc2ccccc2Br)C1 ZINC001279944011 1043960098 /nfs/dbraw/zinc/96/00/98/1043960098.db2.gz GVDVNRHBCFOGMJ-MAUKXSAKSA-N 1 2 374.282 2.786 20 30 FFEDLO N#CCC1CN(C(=O)[C@@]23C[C@@H]2CC[N@@H+]3Cc2ccccc2Br)C1 ZINC001279944011 1043960105 /nfs/dbraw/zinc/96/01/05/1043960105.db2.gz GVDVNRHBCFOGMJ-MAUKXSAKSA-N 1 2 374.282 2.786 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CCc3nc(C(=O)NCC(F)F)ccc3C2)c1 ZINC001279996006 1044060549 /nfs/dbraw/zinc/06/05/49/1044060549.db2.gz VOHDGYNBADFLEG-UHFFFAOYSA-N 1 2 356.376 2.506 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CCc3nc(C(=O)NCC(F)F)ccc3C2)c1 ZINC001279996006 1044060561 /nfs/dbraw/zinc/06/05/61/1044060561.db2.gz VOHDGYNBADFLEG-UHFFFAOYSA-N 1 2 356.376 2.506 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3cc(F)c(C#N)c(F)c3)cn2)CC1 ZINC001241559675 1044546443 /nfs/dbraw/zinc/54/64/43/1044546443.db2.gz CXNZKJDAVPNYLB-UHFFFAOYSA-N 1 2 357.408 2.558 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3ccc(F)c(C#N)c3F)cn2)CC1 ZINC001241568746 1044555177 /nfs/dbraw/zinc/55/51/77/1044555177.db2.gz SILANUSQLKYJMI-UHFFFAOYSA-N 1 2 357.408 2.558 20 30 FFEDLO C#CCN(CC#CC)c1nnc(C(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001539291653 1070607115 /nfs/dbraw/zinc/60/71/15/1070607115.db2.gz USJBBOLGAXVJDA-UHFFFAOYSA-N 1 2 364.497 2.548 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001281520434 1044913715 /nfs/dbraw/zinc/91/37/15/1044913715.db2.gz LLWWMXWPWPGCCF-IAGOWNOFSA-N 1 2 370.497 2.781 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001281520434 1044913722 /nfs/dbraw/zinc/91/37/22/1044913722.db2.gz LLWWMXWPWPGCCF-IAGOWNOFSA-N 1 2 370.497 2.781 20 30 FFEDLO CC(C)(C)c1ccc2c(c1)CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2 ZINC001319109165 1045029486 /nfs/dbraw/zinc/02/94/86/1045029486.db2.gz BPJAXIFCQAFLOV-UHFFFAOYSA-N 1 2 352.482 2.998 20 30 FFEDLO CC(C)(C)c1ccc2c(c1)CC[N@H+](CC(=O)N(CCC#N)CCC#N)C2 ZINC001319109165 1045029495 /nfs/dbraw/zinc/02/94/95/1045029495.db2.gz BPJAXIFCQAFLOV-UHFFFAOYSA-N 1 2 352.482 2.998 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001319472516 1045161893 /nfs/dbraw/zinc/16/18/93/1045161893.db2.gz JVNUTSIJOJZVAB-HKUYNNGSSA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001319472516 1045161897 /nfs/dbraw/zinc/16/18/97/1045161897.db2.gz JVNUTSIJOJZVAB-HKUYNNGSSA-N 1 2 373.453 2.730 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@](C)(CO)C1 ZINC001319640330 1045225355 /nfs/dbraw/zinc/22/53/55/1045225355.db2.gz NGPFTKIUAUOFHY-KXBFYZLASA-N 1 2 361.511 2.971 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@](C)(CO)C1 ZINC001319640330 1045225363 /nfs/dbraw/zinc/22/53/63/1045225363.db2.gz NGPFTKIUAUOFHY-KXBFYZLASA-N 1 2 361.511 2.971 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2Cc2cccc(Cl)c2)CC1 ZINC001539454084 1070642013 /nfs/dbraw/zinc/64/20/13/1070642013.db2.gz HXXBDWIBKJMAOB-UHFFFAOYSA-N 1 2 369.900 2.688 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001284117598 1046484561 /nfs/dbraw/zinc/48/45/61/1046484561.db2.gz IOMAYBHLOKWCNX-KBAYOESNSA-N 1 2 370.497 2.636 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001284117598 1046484568 /nfs/dbraw/zinc/48/45/68/1046484568.db2.gz IOMAYBHLOKWCNX-KBAYOESNSA-N 1 2 370.497 2.636 20 30 FFEDLO C=CCCCC(=O)N1CCCC[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001285281097 1046792541 /nfs/dbraw/zinc/79/25/41/1046792541.db2.gz JHYHIQCXMUORFK-GVDBMIGSSA-N 1 2 358.486 2.757 20 30 FFEDLO C=CCCCC(=O)N1CCCC[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001285281097 1046792552 /nfs/dbraw/zinc/79/25/52/1046792552.db2.gz JHYHIQCXMUORFK-GVDBMIGSSA-N 1 2 358.486 2.757 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1c[nH+]ccc1OC ZINC001286303561 1047071209 /nfs/dbraw/zinc/07/12/09/1047071209.db2.gz JWGOAWKCLVEUIV-CQSZACIVSA-N 1 2 367.478 2.840 20 30 FFEDLO C#CCCCn1c(CC2CC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001286355786 1047082629 /nfs/dbraw/zinc/08/26/29/1047082629.db2.gz ZWLINTDZAYDZRN-UHFFFAOYSA-N 1 2 364.497 2.668 20 30 FFEDLO C#CCN(CC)c1nnc(CC)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001286447928 1047113725 /nfs/dbraw/zinc/11/37/25/1047113725.db2.gz XISLNEAHTJRCMW-INIZCTEOSA-N 1 2 361.440 2.881 20 30 FFEDLO C#CCN(CC)c1nnc(CC2CCCC2)n1Cc1c[nH+]ccc1OC ZINC001286449576 1047114948 /nfs/dbraw/zinc/11/49/48/1047114948.db2.gz ZYTBSRQONJJQPL-UHFFFAOYSA-N 1 2 353.470 2.922 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCCC2)CC1 ZINC001286475729 1047120771 /nfs/dbraw/zinc/12/07/71/1047120771.db2.gz HMXZVRYJFVRQPU-UHFFFAOYSA-N 1 2 374.492 2.762 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CCOc2ccccc2)CC1 ZINC001286471547 1047121330 /nfs/dbraw/zinc/12/13/30/1047121330.db2.gz LSIILULAVKOIMQ-SFHVURJKSA-N 1 2 367.497 2.626 20 30 FFEDLO C=C1CCN(c2nnc(CC3CCCC3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001286649392 1047147724 /nfs/dbraw/zinc/14/77/24/1047147724.db2.gz SXMKHAKSEZFFPF-SFHVURJKSA-N 1 2 373.545 2.888 20 30 FFEDLO C=C[C@@H](COC)NC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC001327030478 1047166505 /nfs/dbraw/zinc/16/65/05/1047166505.db2.gz BLZRDCAGASHUNL-AEFFLSMTSA-N 1 2 361.486 2.502 20 30 FFEDLO C=C[C@@H](COC)NC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC001327030478 1047166508 /nfs/dbraw/zinc/16/65/08/1047166508.db2.gz BLZRDCAGASHUNL-AEFFLSMTSA-N 1 2 361.486 2.502 20 30 FFEDLO C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2Cc2c[nH+]ccc2OC)C1 ZINC001286807841 1047181127 /nfs/dbraw/zinc/18/11/27/1047181127.db2.gz SLRAKEAEMKARHI-KRWDZBQOSA-N 1 2 371.485 2.710 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001289314477 1047627532 /nfs/dbraw/zinc/62/75/32/1047627532.db2.gz YGZDTCSRDWSCHG-KZNAEPCWSA-N 1 2 360.502 2.790 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001289354261 1047641001 /nfs/dbraw/zinc/64/10/01/1047641001.db2.gz HUMTYJLOVJQEOK-HUUCEWRRSA-N 1 2 354.454 2.513 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001289367326 1047645345 /nfs/dbraw/zinc/64/53/45/1047645345.db2.gz BVXHERLNJCSYEV-VQIMIIECSA-N 1 2 366.465 2.805 20 30 FFEDLO C=CCCCC(=O)NC[C@H]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001290207033 1047922186 /nfs/dbraw/zinc/92/21/86/1047922186.db2.gz GEKFRFUJIPOGAX-DLBZAZTESA-N 1 2 360.502 2.684 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC001290522764 1048194138 /nfs/dbraw/zinc/19/41/38/1048194138.db2.gz JLRHFVPBQPCMPE-WBVHZDCISA-N 1 2 366.465 2.840 20 30 FFEDLO COc1cccc([C@]2(C)CC[N@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)c1 ZINC001333723493 1049083019 /nfs/dbraw/zinc/08/30/19/1049083019.db2.gz WRFMJSJFCVRIHJ-JOCHJYFZSA-N 1 2 363.461 2.838 20 30 FFEDLO COc1cccc([C@]2(C)CC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)c1 ZINC001333723493 1049083035 /nfs/dbraw/zinc/08/30/35/1049083035.db2.gz WRFMJSJFCVRIHJ-JOCHJYFZSA-N 1 2 363.461 2.838 20 30 FFEDLO Cn1c(CC#N)nn(C[N@@H+]2CCCC[C@H]2CC2(O)CCCCC2)c1=S ZINC001331062539 1049457900 /nfs/dbraw/zinc/45/79/00/1049457900.db2.gz UFVRRUIFLZRGED-HNNXBMFYSA-N 1 2 363.531 2.914 20 30 FFEDLO Cn1c(CC#N)nn(C[N@H+]2CCCC[C@H]2CC2(O)CCCCC2)c1=S ZINC001331062539 1049457907 /nfs/dbraw/zinc/45/79/07/1049457907.db2.gz UFVRRUIFLZRGED-HNNXBMFYSA-N 1 2 363.531 2.914 20 30 FFEDLO C[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(F)(F)C(F)F)C1)C(F)(F)F ZINC001316658794 1049964936 /nfs/dbraw/zinc/96/49/36/1049964936.db2.gz QEHZPJFSJDGKOH-XHNCKOQMSA-N 1 2 352.294 2.960 20 30 FFEDLO C=C(C)CCC(=O)N1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001297608089 1050241407 /nfs/dbraw/zinc/24/14/07/1050241407.db2.gz NJUUYKRXHJFORO-IAGOWNOFSA-N 1 2 358.486 2.614 20 30 FFEDLO C=C(C)CCC(=O)N1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001297608089 1050241422 /nfs/dbraw/zinc/24/14/22/1050241422.db2.gz NJUUYKRXHJFORO-IAGOWNOFSA-N 1 2 358.486 2.614 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CC[C@@H](c2cccc(C)c2)C1 ZINC001340376155 1050770042 /nfs/dbraw/zinc/77/00/42/1050770042.db2.gz WDVFVNKUDZONQZ-QRVBRYPASA-N 1 2 367.497 2.504 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CC[C@@H](c2cccc(C)c2)C1 ZINC001340376155 1050770054 /nfs/dbraw/zinc/77/00/54/1050770054.db2.gz WDVFVNKUDZONQZ-QRVBRYPASA-N 1 2 367.497 2.504 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1CC(=C)C ZINC001342246281 1050837741 /nfs/dbraw/zinc/83/77/41/1050837741.db2.gz ANASPMNNPQJQRP-ZWKOTPCHSA-N 1 2 357.502 2.628 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1CC(=C)C ZINC001342246281 1050837749 /nfs/dbraw/zinc/83/77/49/1050837749.db2.gz ANASPMNNPQJQRP-ZWKOTPCHSA-N 1 2 357.502 2.628 20 30 FFEDLO C=CCN(CC=C)c1nnc(CC(C)(C)C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001301402806 1050888332 /nfs/dbraw/zinc/88/83/32/1050888332.db2.gz IKSCQAOZYDCXJM-QGZVFWFLSA-N 1 2 361.534 2.766 20 30 FFEDLO C=CCn1c([C@H](O)C(C)C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001340548959 1050938335 /nfs/dbraw/zinc/93/83/35/1050938335.db2.gz ZCWQGNVLBKSMBH-QGZVFWFLSA-N 1 2 356.474 2.629 20 30 FFEDLO C=C(C)Cn1c(Nc2ccn(CC)n2)nnc1[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC001342344433 1050939581 /nfs/dbraw/zinc/93/95/81/1050939581.db2.gz NSUBEKMVUDKESH-HZPDHXFCSA-N 1 2 371.489 2.740 20 30 FFEDLO C=C(C)Cn1c(Nc2ccn(CC)n2)nnc1[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC001342344433 1050939586 /nfs/dbraw/zinc/93/95/86/1050939586.db2.gz NSUBEKMVUDKESH-HZPDHXFCSA-N 1 2 371.489 2.740 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)[C@H](C)CC#N ZINC001342344742 1050939717 /nfs/dbraw/zinc/93/97/17/1050939717.db2.gz PWTDJPXWXWDGDQ-IKGGRYGDSA-N 1 2 358.490 2.518 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)[C@H](C)CC#N ZINC001342344742 1050939725 /nfs/dbraw/zinc/93/97/25/1050939725.db2.gz PWTDJPXWXWDGDQ-IKGGRYGDSA-N 1 2 358.490 2.518 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC[N@@H+]2C)n1CCOC ZINC001342348501 1050943422 /nfs/dbraw/zinc/94/34/22/1050943422.db2.gz NMJUDHWTGMDYRD-GOSISDBHSA-N 1 2 355.486 2.884 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC[N@H+]2C)n1CCOC ZINC001342348501 1050943428 /nfs/dbraw/zinc/94/34/28/1050943428.db2.gz NMJUDHWTGMDYRD-GOSISDBHSA-N 1 2 355.486 2.884 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001340595266 1050980367 /nfs/dbraw/zinc/98/03/67/1050980367.db2.gz XQIFNGUORXUXOP-LBPRGKRZSA-N 1 2 354.380 2.567 20 30 FFEDLO CCn1c([C@H]2C[C@@H]2C#N)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001341036060 1051372464 /nfs/dbraw/zinc/37/24/64/1051372464.db2.gz IBBOLKBUGIOZRD-WBVHZDCISA-N 1 2 370.888 2.901 20 30 FFEDLO CCn1c([C@H]2C[C@@H]2C#N)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001341168678 1051523526 /nfs/dbraw/zinc/52/35/26/1051523526.db2.gz WBQYFILSKHGHTD-WBVHZDCISA-N 1 2 370.888 2.901 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)[C@H]1CCCCS1 ZINC001344936678 1052145343 /nfs/dbraw/zinc/14/53/43/1052145343.db2.gz MYGGSVVFQNZGTE-QGZVFWFLSA-N 1 2 365.520 2.761 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCCC2(CC2)CC1 ZINC001343581458 1052318747 /nfs/dbraw/zinc/31/87/47/1052318747.db2.gz ROOPKLGEGMXWLP-UHFFFAOYSA-N 1 2 373.545 2.829 20 30 FFEDLO C[C@@H]([NH2+]Cc1cc(=O)n2ncc(C#N)c2[nH]1)c1nc(C(F)(F)F)cs1 ZINC001307725501 1052341749 /nfs/dbraw/zinc/34/17/49/1052341749.db2.gz PCNVIWUWHZMVPO-SSDOTTSWSA-N 1 2 368.344 2.633 20 30 FFEDLO C[N@H+](CC(=O)[C@H](C#N)c1nccn1Cc1ccccc1)[C@@H]1CCSC1 ZINC001343705684 1052381456 /nfs/dbraw/zinc/38/14/56/1052381456.db2.gz SWFRHUFFVDOLIO-SJORKVTESA-N 1 2 354.479 2.545 20 30 FFEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nccn1Cc1ccccc1)[C@@H]1CCSC1 ZINC001343705684 1052381458 /nfs/dbraw/zinc/38/14/58/1052381458.db2.gz SWFRHUFFVDOLIO-SJORKVTESA-N 1 2 354.479 2.545 20 30 FFEDLO C#CC[N@@H+]([C@@H](C)C(=O)OCCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308075772 1052400260 /nfs/dbraw/zinc/40/02/60/1052400260.db2.gz QKVOEWQSTVSKIM-HNNXBMFYSA-N 1 2 352.475 2.663 20 30 FFEDLO C#CC[N@H+]([C@@H](C)C(=O)OCCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308075772 1052400263 /nfs/dbraw/zinc/40/02/63/1052400263.db2.gz QKVOEWQSTVSKIM-HNNXBMFYSA-N 1 2 352.475 2.663 20 30 FFEDLO C#CCC1([NH2+]CC(=O)N=c2cc[nH]n2Cc2cccc(C)c2)CCCCC1 ZINC001308104345 1052407081 /nfs/dbraw/zinc/40/70/81/1052407081.db2.gz DDUHQJFTPHCGCG-UHFFFAOYSA-N 1 2 364.493 2.916 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2C[C@@H]2CCOC2)C1 ZINC001345433560 1052444823 /nfs/dbraw/zinc/44/48/23/1052444823.db2.gz OQYPXZXBRWQWCP-MSOLQXFVSA-N 1 2 359.518 2.703 20 30 FFEDLO C[C@@H]1Cc2cc(C[NH2+][C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)ccc2O1 ZINC001308673150 1052484325 /nfs/dbraw/zinc/48/43/25/1052484325.db2.gz VANTUFAJARBHFI-KBRIMQKVSA-N 1 2 357.454 2.859 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)[C@H]1CC1(Cl)Cl ZINC001346719734 1053256177 /nfs/dbraw/zinc/25/61/77/1053256177.db2.gz DUVDMIQTDQJDBG-CQSZACIVSA-N 1 2 374.289 2.669 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001347590040 1054136339 /nfs/dbraw/zinc/13/63/39/1054136339.db2.gz QTODSURBCOIOGE-KYJSFNMBSA-N 1 2 352.438 2.781 20 30 FFEDLO CC(C)(CC#N)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC1CC1 ZINC001347733065 1054267810 /nfs/dbraw/zinc/26/78/10/1054267810.db2.gz CBBPYNUMWMYFHU-UHFFFAOYSA-N 1 2 365.485 2.601 20 30 FFEDLO Cn1cc[nH+]c1CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC001348075230 1054622418 /nfs/dbraw/zinc/62/24/18/1054622418.db2.gz GTQFNWFCBAILTI-UHFFFAOYSA-N 1 2 360.417 2.843 20 30 FFEDLO CCCN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1cc(C)on1 ZINC001351813278 1055015087 /nfs/dbraw/zinc/01/50/87/1055015087.db2.gz SSYVHAPBXFTDIN-UHFFFAOYSA-N 1 2 371.489 2.562 20 30 FFEDLO C=CCn1c(N2CCC[C@H](CC(C)C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001352062551 1055163355 /nfs/dbraw/zinc/16/33/55/1055163355.db2.gz ICIIRWOJVGBODE-HLIPFELVSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC[C@H](CC(C)C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001352062551 1055163361 /nfs/dbraw/zinc/16/33/61/1055163361.db2.gz ICIIRWOJVGBODE-HLIPFELVSA-N 1 2 361.534 2.638 20 30 FFEDLO CN(c1nnc([C@H]2CCC[N@@H+]2C)n1C[C@H]1CCCCO1)[C@@H]1CCC[C@H]1C#N ZINC001349425688 1055250263 /nfs/dbraw/zinc/25/02/63/1055250263.db2.gz VELOXOZQMUOCEN-BSDSXHPESA-N 1 2 372.517 2.742 20 30 FFEDLO CN(c1nnc([C@H]2CCC[N@H+]2C)n1C[C@H]1CCCCO1)[C@@H]1CCC[C@H]1C#N ZINC001349425688 1055250271 /nfs/dbraw/zinc/25/02/71/1055250271.db2.gz VELOXOZQMUOCEN-BSDSXHPESA-N 1 2 372.517 2.742 20 30 FFEDLO CCn1c([C@H]2C[N@H+](Cc3ccccc3)CCO2)nnc1N(C)[C@H](C)CC#N ZINC001356489823 1055534204 /nfs/dbraw/zinc/53/42/04/1055534204.db2.gz LDYSZBYVIKAKRO-SJLPKXTDSA-N 1 2 368.485 2.610 20 30 FFEDLO CCn1c([C@H]2C[N@@H+](Cc3ccccc3)CCO2)nnc1N(C)[C@H](C)CC#N ZINC001356489823 1055534216 /nfs/dbraw/zinc/53/42/16/1055534216.db2.gz LDYSZBYVIKAKRO-SJLPKXTDSA-N 1 2 368.485 2.610 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1C ZINC001338505929 1055577609 /nfs/dbraw/zinc/57/76/09/1055577609.db2.gz OHLAVFORHRDUCL-SJORKVTESA-N 1 2 360.506 2.507 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)n1C ZINC001338505929 1055577619 /nfs/dbraw/zinc/57/76/19/1055577619.db2.gz OHLAVFORHRDUCL-SJORKVTESA-N 1 2 360.506 2.507 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001338691095 1055735224 /nfs/dbraw/zinc/73/52/24/1055735224.db2.gz PWJFDBSAAFSMBV-ZWOKBUDYSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001338691095 1055735234 /nfs/dbraw/zinc/73/52/34/1055735234.db2.gz PWJFDBSAAFSMBV-ZWOKBUDYSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001338691094 1055735267 /nfs/dbraw/zinc/73/52/67/1055735267.db2.gz PWJFDBSAAFSMBV-UWVAXJGDSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001338691094 1055735277 /nfs/dbraw/zinc/73/52/77/1055735277.db2.gz PWJFDBSAAFSMBV-UWVAXJGDSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@@]1(C)c1ccccc1 ZINC001338777272 1055805226 /nfs/dbraw/zinc/80/52/26/1055805226.db2.gz ZSTQVGWJZKWBRV-WFXMLNOXSA-N 1 2 367.497 2.717 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@@]1(C)c1ccccc1 ZINC001338777272 1055805242 /nfs/dbraw/zinc/80/52/42/1055805242.db2.gz ZSTQVGWJZKWBRV-WFXMLNOXSA-N 1 2 367.497 2.717 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCc2cc(C)c(C)cc21 ZINC001338894995 1055913157 /nfs/dbraw/zinc/91/31/57/1055913157.db2.gz MFGUMHMOAZFQTH-WMZOPIPTSA-N 1 2 353.470 2.513 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCc2cc(C)c(C)cc21 ZINC001338894995 1055913168 /nfs/dbraw/zinc/91/31/68/1055913168.db2.gz MFGUMHMOAZFQTH-WMZOPIPTSA-N 1 2 353.470 2.513 20 30 FFEDLO C=CCn1nc(C)c(-c2cc(C(=O)N(C)CC[NH+]3CCCCC3)n[nH]2)c1C ZINC001300155765 1055956249 /nfs/dbraw/zinc/95/62/49/1055956249.db2.gz WTJPACVFLZIMGW-UHFFFAOYSA-N 1 2 370.501 2.634 20 30 FFEDLO C[C@@H]1CN(c2nnc(C3CC[NH+](CCC#N)CC3)n2C)[C@H]2CCCC[C@@H]12 ZINC001339630356 1056655521 /nfs/dbraw/zinc/65/55/21/1056655521.db2.gz XVOBOTDARBGHEY-NJAFHUGGSA-N 1 2 356.518 2.923 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2CCC=C(C)C)CC1 ZINC001359032526 1056665653 /nfs/dbraw/zinc/66/56/53/1056665653.db2.gz RDVZXPIGWSXFMD-UHFFFAOYSA-N 1 2 353.470 2.958 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCCC=C)CC1 ZINC001359035363 1056667337 /nfs/dbraw/zinc/66/73/37/1056667337.db2.gz RPBUXDLNHPUGSW-SFHVURJKSA-N 1 2 357.502 2.631 20 30 FFEDLO C=CCC[C@H](NC(=O)c1c[nH+]ccc1Nc1ccccc1)C(=O)OCC ZINC001449726333 1058936307 /nfs/dbraw/zinc/93/63/07/1058936307.db2.gz LAZYKZANFGHTOY-SFHVURJKSA-N 1 2 353.422 2.875 20 30 FFEDLO CN(c1nnc(C[NH+]2CCCC2)n1C[C@@H]1CCCCO1)[C@H]1CCC[C@@H]1C#N ZINC001519839362 1059120243 /nfs/dbraw/zinc/12/02/43/1059120243.db2.gz DIWPHFDGVQTXIU-SQNIBIBYSA-N 1 2 372.517 2.571 20 30 FFEDLO C#CCN(CCOC)c1nnc(C(C)C)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001300653430 1059173119 /nfs/dbraw/zinc/17/31/19/1059173119.db2.gz MTHXSOQQETUDRO-KRWDZBQOSA-N 1 2 370.501 2.570 20 30 FFEDLO Cn1c(CC(C)(C)C#N)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001520002369 1059293891 /nfs/dbraw/zinc/29/38/91/1059293891.db2.gz CMDGNAACDCPAQB-UHFFFAOYSA-N 1 2 372.904 2.883 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccccc2C)CC1 ZINC001300682669 1059315924 /nfs/dbraw/zinc/31/59/24/1059315924.db2.gz IMLGNUVVWMRTPN-KRWDZBQOSA-N 1 2 351.498 2.904 20 30 FFEDLO COc1cc[nH+]cc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CC1 ZINC001300693741 1059370142 /nfs/dbraw/zinc/37/01/42/1059370142.db2.gz XJCKLWRGDAYAKC-UHFFFAOYSA-N 1 2 360.421 2.867 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CCCCCCSC)CC1 ZINC001300698561 1059396192 /nfs/dbraw/zinc/39/61/92/1059396192.db2.gz VDIFXCQZDGSOPJ-UHFFFAOYSA-N 1 2 361.559 2.834 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCCCC2)CC1 ZINC001300700528 1059406593 /nfs/dbraw/zinc/40/65/93/1059406593.db2.gz RSXGBFVUUUOXIB-LJQANCHMSA-N 1 2 371.529 2.508 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](c2ccn(C)n2)C1 ZINC001520304961 1059589444 /nfs/dbraw/zinc/58/94/44/1059589444.db2.gz FBCYTZWBEICWQJ-AEFFLSMTSA-N 1 2 369.517 2.738 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](c2ccn(C)n2)C1 ZINC001520304961 1059589460 /nfs/dbraw/zinc/58/94/60/1059589460.db2.gz FBCYTZWBEICWQJ-AEFFLSMTSA-N 1 2 369.517 2.738 20 30 FFEDLO C#CCN(CC#C)c1nnc([C@H](C)CC)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001507641701 1059668817 /nfs/dbraw/zinc/66/88/17/1059668817.db2.gz CDEMNUJXPVYMBY-AEFFLSMTSA-N 1 2 364.497 2.947 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2CCSCC=C)CC1 ZINC001507719534 1059699267 /nfs/dbraw/zinc/69/92/67/1059699267.db2.gz BRPRRDTWDLQYDZ-UHFFFAOYSA-N 1 2 371.510 2.521 20 30 FFEDLO C#C[C@]1(C)CCCN1c1nnc(C)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001300785696 1059795927 /nfs/dbraw/zinc/79/59/27/1059795927.db2.gz BGRMQNQQBOXROH-HXUWFJFHSA-N 1 2 352.486 2.868 20 30 FFEDLO C#Cc1ccc(NC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001355187773 1059971311 /nfs/dbraw/zinc/97/13/11/1059971311.db2.gz OCHFMAFJYJYZLD-UHFFFAOYSA-N 1 2 357.454 2.596 20 30 FFEDLO C=CCCn1cc(COC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)nn1 ZINC000848724300 1060551309 /nfs/dbraw/zinc/55/13/09/1060551309.db2.gz IJNNYXHGFQULCR-LJQANCHMSA-N 1 2 354.454 2.952 20 30 FFEDLO C=CCCn1cc(COC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)nn1 ZINC000848724300 1060551325 /nfs/dbraw/zinc/55/13/25/1060551325.db2.gz IJNNYXHGFQULCR-LJQANCHMSA-N 1 2 354.454 2.952 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@H](C2CC2)C1 ZINC001355877421 1060686221 /nfs/dbraw/zinc/68/62/21/1060686221.db2.gz UXDYQMKSRDSAFA-KSZLIROESA-N 1 2 357.502 2.626 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@H](C2CC2)C1 ZINC001355877421 1060686228 /nfs/dbraw/zinc/68/62/28/1060686228.db2.gz UXDYQMKSRDSAFA-KSZLIROESA-N 1 2 357.502 2.626 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(c2ccn(C)n2)CC1 ZINC001355929153 1060737023 /nfs/dbraw/zinc/73/70/23/1060737023.db2.gz IFDFEVQMHHGKEC-GOSISDBHSA-N 1 2 369.517 2.738 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(c2ccn(C)n2)CC1 ZINC001355929153 1060737037 /nfs/dbraw/zinc/73/70/37/1060737037.db2.gz IFDFEVQMHHGKEC-GOSISDBHSA-N 1 2 369.517 2.738 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC001355941226 1060745505 /nfs/dbraw/zinc/74/55/05/1060745505.db2.gz CMSGZWNXMAPIGT-SFHVURJKSA-N 1 2 359.518 2.845 20 30 FFEDLO C=C(C)Cn1c(N2CCC3(C2)CCCCC3)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001355947267 1060752358 /nfs/dbraw/zinc/75/23/58/1060752358.db2.gz SOKAGSLQLFPXNN-YLJYHZDGSA-N 1 2 373.545 2.926 20 30 FFEDLO C=C(C)Cn1c(N2CCC3(C2)CCCCC3)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001355947267 1060752376 /nfs/dbraw/zinc/75/23/76/1060752376.db2.gz SOKAGSLQLFPXNN-YLJYHZDGSA-N 1 2 373.545 2.926 20 30 FFEDLO CCCN(CC(F)(F)F)C(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC001459424579 1060759488 /nfs/dbraw/zinc/75/94/88/1060759488.db2.gz RHHPZFDPPDJIPI-UHFFFAOYSA-N 1 2 371.403 2.808 20 30 FFEDLO CCCN(CC(F)(F)F)C(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC001459424579 1060759505 /nfs/dbraw/zinc/75/95/05/1060759505.db2.gz RHHPZFDPPDJIPI-UHFFFAOYSA-N 1 2 371.403 2.808 20 30 FFEDLO CC[C@@](O)(C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C(F)(F)F ZINC001459936993 1060854297 /nfs/dbraw/zinc/85/42/97/1060854297.db2.gz SGGDSVOIFJEUHC-JKSUJKDBSA-N 1 2 359.367 2.711 20 30 FFEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000542839438 1061001360 /nfs/dbraw/zinc/00/13/60/1061001360.db2.gz LFDRTSVPDWSSHT-UHFFFAOYSA-N 1 2 367.388 2.634 20 30 FFEDLO C[N@@H+](Cc1nnc2n1CCC[C@H]2C(F)(F)F)C[C@H](O)CC1(C#N)CCC1 ZINC001460780374 1061098530 /nfs/dbraw/zinc/09/85/30/1061098530.db2.gz MACMSCYUSQCWLN-CHWSQXEVSA-N 1 2 371.407 2.594 20 30 FFEDLO C[N@H+](Cc1nnc2n1CCC[C@H]2C(F)(F)F)C[C@H](O)CC1(C#N)CCC1 ZINC001460780374 1061098541 /nfs/dbraw/zinc/09/85/41/1061098541.db2.gz MACMSCYUSQCWLN-CHWSQXEVSA-N 1 2 371.407 2.594 20 30 FFEDLO C=CCC1(O)CC[NH+](Cc2nc(N)nc(Nc3ccccc3CC)n2)CC1 ZINC001460800046 1061105969 /nfs/dbraw/zinc/10/59/69/1061105969.db2.gz HIYDSACHWROQIF-UHFFFAOYSA-N 1 2 368.485 2.663 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3CCC[N@H+]3C)n2C[C@@H]2CCCCO2)C1 ZINC001526385002 1061106450 /nfs/dbraw/zinc/10/64/50/1061106450.db2.gz RLOPEDMRIBDXMP-CEXWTWQISA-N 1 2 371.529 2.854 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3CCC[N@@H+]3C)n2C[C@@H]2CCCCO2)C1 ZINC001526385002 1061106457 /nfs/dbraw/zinc/10/64/57/1061106457.db2.gz RLOPEDMRIBDXMP-CEXWTWQISA-N 1 2 371.529 2.854 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3CCC[N@H+]3C)n2C[C@H]2CCCCO2)C1 ZINC001526385004 1061107010 /nfs/dbraw/zinc/10/70/10/1061107010.db2.gz RLOPEDMRIBDXMP-QRVBRYPASA-N 1 2 371.529 2.854 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2C[C@H]2CCCCO2)C1 ZINC001526385004 1061107017 /nfs/dbraw/zinc/10/70/17/1061107017.db2.gz RLOPEDMRIBDXMP-QRVBRYPASA-N 1 2 371.529 2.854 20 30 FFEDLO C=CCC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2c[nH]c[nH+]2)C3)CCCC1 ZINC001522287309 1061874295 /nfs/dbraw/zinc/87/42/95/1061874295.db2.gz QOKAIBUFWBWNDO-KURKYZTESA-N 1 2 370.497 2.727 20 30 FFEDLO C=CCC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2c[nH+]c[nH]2)C3)CCCC1 ZINC001522287309 1061874308 /nfs/dbraw/zinc/87/43/08/1061874308.db2.gz QOKAIBUFWBWNDO-KURKYZTESA-N 1 2 370.497 2.727 20 30 FFEDLO C[N@@H+]1CCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccccc1 ZINC001522311468 1061917658 /nfs/dbraw/zinc/91/76/58/1061917658.db2.gz IUDPEGQRIUSXAM-FXAWDEMLSA-N 1 2 368.460 2.729 20 30 FFEDLO C[N@H+]1CCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccccc1 ZINC001522311468 1061917687 /nfs/dbraw/zinc/91/76/87/1061917687.db2.gz IUDPEGQRIUSXAM-FXAWDEMLSA-N 1 2 368.460 2.729 20 30 FFEDLO Cc1cc(C)c(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)c(C)[nH+]1 ZINC001522370091 1062043870 /nfs/dbraw/zinc/04/38/70/1062043870.db2.gz NFIXPEXQZGBRAG-AVRDEDQJSA-N 1 2 365.477 2.531 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C(F)C(F)(F)F)CC[N@@H+]1CC#Cc1ccccc1 ZINC001479635974 1062674244 /nfs/dbraw/zinc/67/42/44/1062674244.db2.gz QJTXYBQVDOJUJR-ARFHVFGLSA-N 1 2 356.363 2.908 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C(F)C(F)(F)F)CC[N@H+]1CC#Cc1ccccc1 ZINC001479635974 1062674248 /nfs/dbraw/zinc/67/42/48/1062674248.db2.gz QJTXYBQVDOJUJR-ARFHVFGLSA-N 1 2 356.363 2.908 20 30 FFEDLO C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CCCn1cc[nH+]c1 ZINC001531613182 1062821933 /nfs/dbraw/zinc/82/19/33/1062821933.db2.gz ZAUWWGIUJNXVIZ-UHFFFAOYSA-N 1 2 358.394 2.793 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)[C@@H]1C ZINC001479700294 1062822795 /nfs/dbraw/zinc/82/27/95/1062822795.db2.gz GKBHNRNSLDFZII-YCPHGPKFSA-N 1 2 351.878 2.795 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)[C@@H]1C ZINC001479700294 1062822823 /nfs/dbraw/zinc/82/28/23/1062822823.db2.gz GKBHNRNSLDFZII-YCPHGPKFSA-N 1 2 351.878 2.795 20 30 FFEDLO C=C1CCC(CNC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC001465007936 1062942437 /nfs/dbraw/zinc/94/24/37/1062942437.db2.gz XDQWDCBDYJYZAW-UHFFFAOYSA-N 1 2 370.497 2.942 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CCc2cscn2)[C@H]1C ZINC001479731181 1062979515 /nfs/dbraw/zinc/97/95/15/1062979515.db2.gz LXTWPDVGRQYLIL-YPMHNXCESA-N 1 2 358.305 2.563 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CCc2cscn2)[C@H]1C ZINC001479731181 1062979537 /nfs/dbraw/zinc/97/95/37/1062979537.db2.gz LXTWPDVGRQYLIL-YPMHNXCESA-N 1 2 358.305 2.563 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)nc1Cl ZINC001533482408 1063309257 /nfs/dbraw/zinc/30/92/57/1063309257.db2.gz RSRYNMDLSILIPB-INIZCTEOSA-N 1 2 351.797 2.974 20 30 FFEDLO C#C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC001469382893 1064138351 /nfs/dbraw/zinc/13/83/51/1064138351.db2.gz AZUURLPMGUYRES-LAUBAEHRSA-N 1 2 365.452 2.827 20 30 FFEDLO C=C(C)CCC(=O)NC[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001574724175 1078072989 /nfs/dbraw/zinc/07/29/89/1078072989.db2.gz JSACPMIUZHDJDQ-WCLQXYBISA-N 1 2 370.497 2.614 20 30 FFEDLO C=C(C)CCC(=O)NC[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001574724175 1078072991 /nfs/dbraw/zinc/07/29/91/1078072991.db2.gz JSACPMIUZHDJDQ-WCLQXYBISA-N 1 2 370.497 2.614 20 30 FFEDLO C=C1CCC(C(=O)N2CCC3(CC2)CC[NH+](Cc2cnn[nH]2)CC3)CC1 ZINC001575062554 1078102536 /nfs/dbraw/zinc/10/25/36/1078102536.db2.gz UIYWXYHTMMTHCZ-UHFFFAOYSA-N 1 2 357.502 2.756 20 30 FFEDLO C=CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2c[nH]nn2)C1)c1ccccc1 ZINC001575078112 1078103366 /nfs/dbraw/zinc/10/33/66/1078103366.db2.gz GAKVKCFJYHJCRV-PXNSSMCTSA-N 1 2 367.497 2.883 20 30 FFEDLO C=CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2cn[nH]n2)C1)c1ccccc1 ZINC001575078112 1078103367 /nfs/dbraw/zinc/10/33/67/1078103367.db2.gz GAKVKCFJYHJCRV-PXNSSMCTSA-N 1 2 367.497 2.883 20 30 FFEDLO COC(=O)c1ccc(C[NH2+]Cc2cccc(C#N)n2)c(Br)c1 ZINC001474503337 1065539160 /nfs/dbraw/zinc/53/91/60/1065539160.db2.gz KFHWDOIJXDOCLT-UHFFFAOYSA-N 1 2 360.211 2.792 20 30 FFEDLO C=C(C)C[C@H]([NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O)C(=O)OCC ZINC001474686099 1065579910 /nfs/dbraw/zinc/57/99/10/1065579910.db2.gz LKVMXRJTFJQOIH-YOEHRIQHSA-N 1 2 358.438 2.549 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)[C@@H]2C[C@@H]21 ZINC001560197807 1076245173 /nfs/dbraw/zinc/24/51/73/1076245173.db2.gz ZYFHFUZWDFNFJJ-SJORKVTESA-N 1 2 370.453 2.580 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@@H]2C[C@@H]21 ZINC001560197807 1076245178 /nfs/dbraw/zinc/24/51/78/1076245178.db2.gz ZYFHFUZWDFNFJJ-SJORKVTESA-N 1 2 370.453 2.580 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC001564429067 1076632374 /nfs/dbraw/zinc/63/23/74/1076632374.db2.gz NIKIXQWVYFREOW-QUCCMNQESA-N 1 2 358.530 2.847 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC001564429067 1076632378 /nfs/dbraw/zinc/63/23/78/1076632378.db2.gz NIKIXQWVYFREOW-QUCCMNQESA-N 1 2 358.530 2.847 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)C(F)(F)c2ccccc2OC(C)C)CC1 ZINC001565815930 1076770521 /nfs/dbraw/zinc/77/05/21/1076770521.db2.gz XZFOVYNLEKAUSE-UHFFFAOYSA-N 1 2 350.409 2.733 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)C(F)(F)c2ccccc2OC(C)C)CC1 ZINC001565815930 1076770524 /nfs/dbraw/zinc/77/05/24/1076770524.db2.gz XZFOVYNLEKAUSE-UHFFFAOYSA-N 1 2 350.409 2.733 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H]2C[N@H+](Cc3csc(COC)n3)CC[C@@H]2C1 ZINC001566045377 1076874413 /nfs/dbraw/zinc/87/44/13/1076874413.db2.gz ZOUJUMBRQGUJMQ-CVEARBPZSA-N 1 2 363.527 2.926 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3csc(COC)n3)CC[C@@H]2C1 ZINC001566045377 1076874416 /nfs/dbraw/zinc/87/44/16/1076874416.db2.gz ZOUJUMBRQGUJMQ-CVEARBPZSA-N 1 2 363.527 2.926 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(CC)s3)CC[C@@H]2C1 ZINC001566050639 1076878705 /nfs/dbraw/zinc/87/87/05/1076878705.db2.gz ZAUJPXXJWXSXDD-CABCVRRESA-N 1 2 362.543 2.983 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(CC)s3)CC[C@@H]2C1 ZINC001566050639 1076878708 /nfs/dbraw/zinc/87/87/08/1076878708.db2.gz ZAUJPXXJWXSXDD-CABCVRRESA-N 1 2 362.543 2.983 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)[C@@H]1C ZINC001566082961 1076889870 /nfs/dbraw/zinc/88/98/70/1076889870.db2.gz VIZMRCVANOJZFL-AHIWAGSCSA-N 1 2 356.401 2.719 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)[C@@H]1C ZINC001566082961 1076889875 /nfs/dbraw/zinc/88/98/75/1076889875.db2.gz VIZMRCVANOJZFL-AHIWAGSCSA-N 1 2 356.401 2.719 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C3(CCC)CC3)[C@H]2C)c1 ZINC001566101710 1076906190 /nfs/dbraw/zinc/90/61/90/1076906190.db2.gz AKSREANQLOSYEM-APWZRJJASA-N 1 2 367.493 2.766 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C3(CCC)CC3)[C@H]2C)c1 ZINC001566101710 1076906191 /nfs/dbraw/zinc/90/61/91/1076906191.db2.gz AKSREANQLOSYEM-APWZRJJASA-N 1 2 367.493 2.766 20 30 FFEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001567719063 1077048388 /nfs/dbraw/zinc/04/83/88/1077048388.db2.gz IBSDQHYCDBCTGW-RBUKOAKNSA-N 1 2 361.917 2.706 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H]1CC ZINC001573270485 1077649051 /nfs/dbraw/zinc/64/90/51/1077649051.db2.gz INAHMGMJTWGWPY-IXDOHACOSA-N 1 2 360.502 2.932 20 30 FFEDLO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC001586601218 1079654675 /nfs/dbraw/zinc/65/46/75/1079654675.db2.gz MOHNWTGQCYNLFO-HZPDHXFCSA-N 1 2 364.490 2.885 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588627674 1080126999 /nfs/dbraw/zinc/12/69/99/1080126999.db2.gz FOWMHTLBJFJRES-UHFFFAOYSA-N 1 2 362.437 2.802 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1cccc(C)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588627674 1080127006 /nfs/dbraw/zinc/12/70/06/1080127006.db2.gz FOWMHTLBJFJRES-UHFFFAOYSA-N 1 2 362.437 2.802 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(F)cc2F)CC1 ZINC001588743146 1080178864 /nfs/dbraw/zinc/17/88/64/1080178864.db2.gz YKCCCGJFVYMXOB-OAHLLOKOSA-N 1 2 373.451 2.873 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC2(CC)CC2)CC1 ZINC001588806407 1080203884 /nfs/dbraw/zinc/20/38/84/1080203884.db2.gz PJYWAHZONWYEFO-UHFFFAOYSA-N 1 2 364.497 2.594 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1ccc(F)cc1F)Cc1ccc(C#N)cc1 ZINC000063754455 205294408 /nfs/dbraw/zinc/29/44/08/205294408.db2.gz FTDKUXCOBGCDIX-UHFFFAOYSA-N 1 2 359.376 2.924 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1ccc(F)cc1F)Cc1ccc(C#N)cc1 ZINC000063754455 205294411 /nfs/dbraw/zinc/29/44/11/205294411.db2.gz FTDKUXCOBGCDIX-UHFFFAOYSA-N 1 2 359.376 2.924 20 30 FFEDLO CC[C@@H]1C[C@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000272746380 252119750 /nfs/dbraw/zinc/11/97/50/252119750.db2.gz NLYOSUSEDKVBMR-WOJBJXKFSA-N 1 2 355.482 2.798 20 30 FFEDLO CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000275649026 256034548 /nfs/dbraw/zinc/03/45/48/256034548.db2.gz OFPRIEPBSLMEAC-BLGFXRMMSA-N 1 2 362.433 2.712 20 30 FFEDLO Cc1cc(N2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)nc(C(C)C)[nH+]1 ZINC000278797861 256348630 /nfs/dbraw/zinc/34/86/30/256348630.db2.gz YZLLGFFVDNFDGC-UHFFFAOYSA-N 1 2 367.428 2.882 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(C#N)c1C ZINC000286357159 257033062 /nfs/dbraw/zinc/03/30/62/257033062.db2.gz FTUYQZJHSSECHP-SUHUHFCYSA-N 1 2 373.375 2.588 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(C#N)c1C ZINC000286357159 257033063 /nfs/dbraw/zinc/03/30/63/257033063.db2.gz FTUYQZJHSSECHP-SUHUHFCYSA-N 1 2 373.375 2.588 20 30 FFEDLO CNC(=O)CC1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000287720858 257105037 /nfs/dbraw/zinc/10/50/37/257105037.db2.gz KDJYLZMEDACCMF-UHFFFAOYSA-N 1 2 350.260 2.669 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c(F)ccc(O)c3F)CC2)cc1 ZINC000289174805 257263025 /nfs/dbraw/zinc/26/30/25/257263025.db2.gz SFNLHZWQCCMHAG-UHFFFAOYSA-N 1 2 357.360 2.500 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289783716 257298905 /nfs/dbraw/zinc/29/89/05/257298905.db2.gz HHNDPHVYHPNHKX-AWEZNQCLSA-N 1 2 364.236 2.947 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289783716 257298906 /nfs/dbraw/zinc/29/89/06/257298906.db2.gz HHNDPHVYHPNHKX-AWEZNQCLSA-N 1 2 364.236 2.947 20 30 FFEDLO CN(C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1)C1CCCCC1 ZINC000301163491 258030910 /nfs/dbraw/zinc/03/09/10/258030910.db2.gz UTGOJRUVWUTNKZ-UHFFFAOYSA-N 1 2 358.461 2.610 20 30 FFEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000301213193 258034465 /nfs/dbraw/zinc/03/44/65/258034465.db2.gz XAZZHTMHOPXJRB-HNNXBMFYSA-N 1 2 360.889 2.735 20 30 FFEDLO COc1ccc2c(c1)OCC[N@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000328720347 258118853 /nfs/dbraw/zinc/11/88/53/258118853.db2.gz WCLYPHOBIGESCE-LJQANCHMSA-N 1 2 363.417 2.567 20 30 FFEDLO COc1ccc2c(c1)OCC[N@@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000328720347 258118854 /nfs/dbraw/zinc/11/88/54/258118854.db2.gz WCLYPHOBIGESCE-LJQANCHMSA-N 1 2 363.417 2.567 20 30 FFEDLO Cc1nc(C#N)c(N2CCC(C(=O)N3CCCC[C@@H]3c3[nH]cc[nH+]3)CC2)o1 ZINC000329947693 258151597 /nfs/dbraw/zinc/15/15/97/258151597.db2.gz YNMKISATWFHPNA-MRXNPFEDSA-N 1 2 368.441 2.548 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000331255758 258180530 /nfs/dbraw/zinc/18/05/30/258180530.db2.gz YXQXTMVKOPUCDU-CQSZACIVSA-N 1 2 361.492 2.515 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000331255758 258180531 /nfs/dbraw/zinc/18/05/31/258180531.db2.gz YXQXTMVKOPUCDU-CQSZACIVSA-N 1 2 361.492 2.515 20 30 FFEDLO Cc1cnn(CC2CC[NH+]([C@H]3CCN(c4sccc4C#N)C3=O)CC2)c1 ZINC000333070293 258248079 /nfs/dbraw/zinc/24/80/79/258248079.db2.gz UVDXZDDONIPJAY-KRWDZBQOSA-N 1 2 369.494 2.642 20 30 FFEDLO CN1CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc21 ZINC000333074504 258248234 /nfs/dbraw/zinc/24/82/34/258248234.db2.gz VQCCHNXMLMQLCQ-KRWDZBQOSA-N 1 2 352.463 2.677 20 30 FFEDLO CN1CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc21 ZINC000333074504 258248235 /nfs/dbraw/zinc/24/82/35/258248235.db2.gz VQCCHNXMLMQLCQ-KRWDZBQOSA-N 1 2 352.463 2.677 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000409858536 512156245 /nfs/dbraw/zinc/15/62/45/512156245.db2.gz QETLZCMPVDDXJQ-UHFFFAOYSA-N 1 2 374.853 2.848 20 30 FFEDLO C=CCc1cc(CNC(=O)Cc2cn3ccccc3[nH+]2)cc(OC)c1OC ZINC000065064088 506255743 /nfs/dbraw/zinc/25/57/43/506255743.db2.gz DGRZNYMRSGMVHZ-UHFFFAOYSA-N 1 2 365.433 2.939 20 30 FFEDLO C=CC[C@]1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCCN1C(=O)OC(C)(C)C ZINC000368977404 512165394 /nfs/dbraw/zinc/16/53/94/512165394.db2.gz GFKKNTAOZOGWQU-JLTOFOAXSA-N 1 2 374.485 2.729 20 30 FFEDLO C=CC[C@]1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCCN1C(=O)OC(C)(C)C ZINC000368977404 512165399 /nfs/dbraw/zinc/16/53/99/512165399.db2.gz GFKKNTAOZOGWQU-JLTOFOAXSA-N 1 2 374.485 2.729 20 30 FFEDLO C=CC[C@]1(C(=O)N2CCn3cc(C)[nH+]c3C2)CCCN1C(=O)OC(C)(C)C ZINC000368992246 512171896 /nfs/dbraw/zinc/17/18/96/512171896.db2.gz XKXYAQDSISOIMA-HXUWFJFHSA-N 1 2 374.485 2.880 20 30 FFEDLO CC(C)N1CC[NH+](C2CCN(c3snc(Cl)c3C#N)CC2)CC1 ZINC000371216099 512273731 /nfs/dbraw/zinc/27/37/31/512273731.db2.gz QCGIIJWMHBZTAG-UHFFFAOYSA-N 1 2 353.923 2.663 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)[C@@H]1C ZINC000369208376 512283251 /nfs/dbraw/zinc/28/32/51/512283251.db2.gz XLPMMYNRORLGJJ-KURKYZTESA-N 1 2 354.498 2.880 20 30 FFEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Br)s1 ZINC000008165502 506628287 /nfs/dbraw/zinc/62/82/87/506628287.db2.gz OUJTUBALFOCYPW-CQSZACIVSA-N 1 2 356.289 2.751 20 30 FFEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Br)s1 ZINC000008165502 506628293 /nfs/dbraw/zinc/62/82/93/506628293.db2.gz OUJTUBALFOCYPW-CQSZACIVSA-N 1 2 356.289 2.751 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000054886546 506641456 /nfs/dbraw/zinc/64/14/56/506641456.db2.gz UAOZVYLOZHAOAJ-MRXNPFEDSA-N 1 2 370.522 2.618 20 30 FFEDLO CCc1ccc(-c2noc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)n2)cc1 ZINC000043999487 506807139 /nfs/dbraw/zinc/80/71/39/506807139.db2.gz AHCKIGYGQGMBOI-UHFFFAOYSA-N 1 2 374.448 2.888 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000067417053 506871284 /nfs/dbraw/zinc/87/12/84/506871284.db2.gz NHPIEZTWQKDVSB-INIZCTEOSA-N 1 2 361.511 2.751 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000067417053 506871287 /nfs/dbraw/zinc/87/12/87/506871287.db2.gz NHPIEZTWQKDVSB-INIZCTEOSA-N 1 2 361.511 2.751 20 30 FFEDLO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000371293345 512311576 /nfs/dbraw/zinc/31/15/76/512311576.db2.gz VLTBMCPBHQUTKO-PZJWPPBQSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1cccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000371293345 512311580 /nfs/dbraw/zinc/31/15/80/512311580.db2.gz VLTBMCPBHQUTKO-PZJWPPBQSA-N 1 2 352.434 2.680 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+](Cc2ccco2)Cc2cccnc2)cc1 ZINC000045870579 507037461 /nfs/dbraw/zinc/03/74/61/507037461.db2.gz JZUJUHGTFXRGEY-IBGZPJMESA-N 1 2 363.417 2.988 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccco2)Cc2cccnc2)cc1 ZINC000045870579 507037463 /nfs/dbraw/zinc/03/74/63/507037463.db2.gz JZUJUHGTFXRGEY-IBGZPJMESA-N 1 2 363.417 2.988 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000016429598 507088914 /nfs/dbraw/zinc/08/89/14/507088914.db2.gz RVMVKSONVUCERI-UHFFFAOYSA-N 1 2 373.453 2.594 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000016429598 507088918 /nfs/dbraw/zinc/08/89/18/507088918.db2.gz RVMVKSONVUCERI-UHFFFAOYSA-N 1 2 373.453 2.594 20 30 FFEDLO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367057383 512318488 /nfs/dbraw/zinc/31/84/88/512318488.db2.gz JCXDZWIYDDIBRG-KRWDZBQOSA-N 1 2 360.461 2.917 20 30 FFEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000068429038 507228812 /nfs/dbraw/zinc/22/88/12/507228812.db2.gz NFMNIUWOZGUADW-HNNXBMFYSA-N 1 2 360.889 2.735 20 30 FFEDLO COc1ccccc1N1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000057476707 507275523 /nfs/dbraw/zinc/27/55/23/507275523.db2.gz PFOQBDKWPBKNHT-UHFFFAOYSA-N 1 2 370.497 2.502 20 30 FFEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1Cl ZINC000047213428 507285786 /nfs/dbraw/zinc/28/57/86/507285786.db2.gz AQRKMZAIXDUKIF-QGZVFWFLSA-N 1 2 363.870 2.793 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1cc(Br)cs1 ZINC000047752055 507388834 /nfs/dbraw/zinc/38/88/34/507388834.db2.gz VXOQRGLKNSNGNU-CQSZACIVSA-N 1 2 358.305 2.997 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000047752055 507388843 /nfs/dbraw/zinc/38/88/43/507388843.db2.gz VXOQRGLKNSNGNU-CQSZACIVSA-N 1 2 358.305 2.997 20 30 FFEDLO N#Cc1cccc(NC(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000047880533 507406279 /nfs/dbraw/zinc/40/62/79/507406279.db2.gz RBMQANXFHCXJLS-UHFFFAOYSA-N 1 2 354.841 2.972 20 30 FFEDLO N#Cc1cnc(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c(Cl)c1 ZINC000060372277 507532720 /nfs/dbraw/zinc/53/27/20/507532720.db2.gz VAEOYVCBQTVNST-UHFFFAOYSA-N 1 2 359.836 2.980 20 30 FFEDLO CCN(C(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000060481315 507550726 /nfs/dbraw/zinc/55/07/26/507550726.db2.gz DDRGJFLQQWBTOQ-QGZVFWFLSA-N 1 2 363.465 2.517 20 30 FFEDLO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)nc1 ZINC000026140446 507561325 /nfs/dbraw/zinc/56/13/25/507561325.db2.gz WDKSIZBIGRBYNF-UHFFFAOYSA-N 1 2 368.412 2.591 20 30 FFEDLO COc1cccc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000027103413 507630718 /nfs/dbraw/zinc/63/07/18/507630718.db2.gz IVOOLSGVPCQQRL-UHFFFAOYSA-N 1 2 363.461 2.844 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)Cc1cccc([N+](=O)[O-])c1 ZINC000063287658 507711978 /nfs/dbraw/zinc/71/19/78/507711978.db2.gz MXPPTIRTZQOQHN-RTBURBONSA-N 1 2 373.453 2.753 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)Cc1cccc([N+](=O)[O-])c1 ZINC000063287658 507711987 /nfs/dbraw/zinc/71/19/87/507711987.db2.gz MXPPTIRTZQOQHN-RTBURBONSA-N 1 2 373.453 2.753 20 30 FFEDLO CCOC(=O)C1CC[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000051160108 507745626 /nfs/dbraw/zinc/74/56/26/507745626.db2.gz WWRYFSYEGMTYRH-UHFFFAOYSA-N 1 2 371.481 2.825 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CCOCCOc3ccccc3)CC2)cc1 ZINC000051591764 507776927 /nfs/dbraw/zinc/77/69/27/507776927.db2.gz YJSJTWCYFZTDRT-UHFFFAOYSA-N 1 2 365.477 2.771 20 30 FFEDLO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029446242 507778204 /nfs/dbraw/zinc/77/82/04/507778204.db2.gz RCCUFMRUFHBCHJ-OAHLLOKOSA-N 1 2 360.421 2.886 20 30 FFEDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(C)c1 ZINC000029447549 507778219 /nfs/dbraw/zinc/77/82/19/507778219.db2.gz ASOGFYQJXMQLKP-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+](CC(=O)NC2CCCCCC2)CC1 ZINC000029856441 507792745 /nfs/dbraw/zinc/79/27/45/507792745.db2.gz BRFUILPOHNWEAP-UHFFFAOYSA-N 1 2 358.461 2.658 20 30 FFEDLO COC(=O)c1ccc([C@H](C)[NH+]2CCN(c3cccc(F)c3C#N)CC2)o1 ZINC000029860591 507793754 /nfs/dbraw/zinc/79/37/54/507793754.db2.gz VICCAXDNIHOAPM-ZDUSSCGKSA-N 1 2 357.385 2.960 20 30 FFEDLO C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cc2C1=O ZINC000029915781 507795602 /nfs/dbraw/zinc/79/56/02/507795602.db2.gz XAILNGDFVDZYDS-UHFFFAOYSA-N 1 2 372.384 2.907 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000029957119 507797763 /nfs/dbraw/zinc/79/77/63/507797763.db2.gz JZVZNDJGCGGELG-OAHLLOKOSA-N 1 2 350.422 2.637 20 30 FFEDLO Cc1ccc(C(=O)N2CC[NH+](CCOc3cccc(C#N)c3)CC2)cc1F ZINC000052130204 507798397 /nfs/dbraw/zinc/79/83/97/507798397.db2.gz MCLUWWZNFQYBNN-UHFFFAOYSA-N 1 2 367.424 2.843 20 30 FFEDLO N#CCOc1ccc(/C=C/C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000030298791 507805573 /nfs/dbraw/zinc/80/55/73/507805573.db2.gz FHDIEGQPCSNUOD-UXBLZVDNSA-N 1 2 362.433 2.914 20 30 FFEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000072692974 507843157 /nfs/dbraw/zinc/84/31/57/507843157.db2.gz PSXXFBOXSCBDJM-KRWDZBQOSA-N 1 2 359.470 2.594 20 30 FFEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000072692974 507843159 /nfs/dbraw/zinc/84/31/59/507843159.db2.gz PSXXFBOXSCBDJM-KRWDZBQOSA-N 1 2 359.470 2.594 20 30 FFEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000410765504 512362243 /nfs/dbraw/zinc/36/22/43/512362243.db2.gz CZPWNFGZZOHIPR-HNNXBMFYSA-N 1 2 363.889 2.580 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000078589484 507886671 /nfs/dbraw/zinc/88/66/71/507886671.db2.gz VFXBSHJZGQXCID-UHFFFAOYSA-N 1 2 372.469 2.555 20 30 FFEDLO N#Cc1cccnc1N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000073108688 507894834 /nfs/dbraw/zinc/89/48/34/507894834.db2.gz SPCPYYMKZQHDOB-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000078691780 507898222 /nfs/dbraw/zinc/89/82/22/507898222.db2.gz GSPKVNSPINAUBO-UYAOXDASSA-N 1 2 354.498 2.682 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c2ccccc21 ZINC000081049181 508130141 /nfs/dbraw/zinc/13/01/41/508130141.db2.gz ZKXRYJKUNODBII-QGZVFWFLSA-N 1 2 365.355 2.737 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c2ccccc21 ZINC000081049181 508130144 /nfs/dbraw/zinc/13/01/44/508130144.db2.gz ZKXRYJKUNODBII-QGZVFWFLSA-N 1 2 365.355 2.737 20 30 FFEDLO N#CCCn1cc(C[N@@H+](CC(N)=O)Cc2ccccc2)c(-c2ccccc2)n1 ZINC000093358422 508142389 /nfs/dbraw/zinc/14/23/89/508142389.db2.gz LOEVUELFEMZUEP-UHFFFAOYSA-N 1 2 373.460 2.951 20 30 FFEDLO N#CCCn1cc(C[N@H+](CC(N)=O)Cc2ccccc2)c(-c2ccccc2)n1 ZINC000093358422 508142393 /nfs/dbraw/zinc/14/23/93/508142393.db2.gz LOEVUELFEMZUEP-UHFFFAOYSA-N 1 2 373.460 2.951 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+](C)[C@H](C)CS(=O)(=O)CC)ccc1OC ZINC000093417476 508145259 /nfs/dbraw/zinc/14/52/59/508145259.db2.gz MEXIUCSCHJNIFT-OAHLLOKOSA-N 1 2 355.500 2.905 20 30 FFEDLO C=C(C)COc1cc(C[N@H+](C)[C@H](C)CS(=O)(=O)CC)ccc1OC ZINC000093417476 508145260 /nfs/dbraw/zinc/14/52/60/508145260.db2.gz MEXIUCSCHJNIFT-OAHLLOKOSA-N 1 2 355.500 2.905 20 30 FFEDLO COC[C@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000093529215 508147447 /nfs/dbraw/zinc/14/74/47/508147447.db2.gz HQJBUBPSXYOAIL-OAQYLSRUSA-N 1 2 352.434 2.984 20 30 FFEDLO COC[C@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000093529215 508147448 /nfs/dbraw/zinc/14/74/48/508147448.db2.gz HQJBUBPSXYOAIL-OAQYLSRUSA-N 1 2 352.434 2.984 20 30 FFEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000081484372 508180296 /nfs/dbraw/zinc/18/02/96/508180296.db2.gz AUHHTBSPIYSODO-SFHVURJKSA-N 1 2 355.369 2.759 20 30 FFEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000081484372 508180298 /nfs/dbraw/zinc/18/02/98/508180298.db2.gz AUHHTBSPIYSODO-SFHVURJKSA-N 1 2 355.369 2.759 20 30 FFEDLO Cc1oc(-c2ccsc2)nc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000081515482 508184686 /nfs/dbraw/zinc/18/46/86/508184686.db2.gz FMJYSNBKWPRKFV-UHFFFAOYSA-N 1 2 360.483 2.759 20 30 FFEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3nc(C)c(C)o3)c2)n1 ZINC000101540891 508243790 /nfs/dbraw/zinc/24/37/90/508243790.db2.gz KHXKFPWMBWNZHO-UHFFFAOYSA-N 1 2 353.426 2.990 20 30 FFEDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000103474364 508314188 /nfs/dbraw/zinc/31/41/88/508314188.db2.gz SFMGJQIWTILGFP-KRWDZBQOSA-N 1 2 353.470 2.886 20 30 FFEDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000103474364 508314190 /nfs/dbraw/zinc/31/41/90/508314190.db2.gz SFMGJQIWTILGFP-KRWDZBQOSA-N 1 2 353.470 2.886 20 30 FFEDLO CC[NH+](CC)[C@@H](CNS(=O)(=O)CCCC#N)c1ccccc1Cl ZINC000104108083 508328333 /nfs/dbraw/zinc/32/83/33/508328333.db2.gz PQJSAVOMRKQPAD-INIZCTEOSA-N 1 2 357.907 2.946 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1 ZINC000104796350 508347827 /nfs/dbraw/zinc/34/78/27/508347827.db2.gz NXUVHPDCDWQMDH-UHFFFAOYSA-N 1 2 365.462 2.988 20 30 FFEDLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000116285901 508494923 /nfs/dbraw/zinc/49/49/23/508494923.db2.gz SDMKOXZRHZXXGV-AZUAARDMSA-N 1 2 350.418 2.988 20 30 FFEDLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000116285901 508494926 /nfs/dbraw/zinc/49/49/26/508494926.db2.gz SDMKOXZRHZXXGV-AZUAARDMSA-N 1 2 350.418 2.988 20 30 FFEDLO CC[C@@H](O)C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000156934206 508498677 /nfs/dbraw/zinc/49/86/77/508498677.db2.gz FAMPQURSRXOGEQ-LJQANCHMSA-N 1 2 372.490 2.605 20 30 FFEDLO CC[C@@H](O)C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000156934206 508498678 /nfs/dbraw/zinc/49/86/78/508498678.db2.gz FAMPQURSRXOGEQ-LJQANCHMSA-N 1 2 372.490 2.605 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000128076589 508544179 /nfs/dbraw/zinc/54/41/79/508544179.db2.gz ORODRRZXSUNGFQ-RDJZCZTQSA-N 1 2 372.431 2.723 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000128076589 508544183 /nfs/dbraw/zinc/54/41/83/508544183.db2.gz ORODRRZXSUNGFQ-RDJZCZTQSA-N 1 2 372.431 2.723 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1[nH+]ccn1C ZINC000153451881 508584401 /nfs/dbraw/zinc/58/44/01/508584401.db2.gz ZJGPQCKRUFKNHR-CQSZACIVSA-N 1 2 357.483 2.885 20 30 FFEDLO C[N@H+](CCN1CCN(c2ccccc2)CC1)Cc1cc(C#N)ccc1F ZINC000157761599 508608508 /nfs/dbraw/zinc/60/85/08/508608508.db2.gz QWLBESRMRFSDBZ-UHFFFAOYSA-N 1 2 352.457 2.951 20 30 FFEDLO C[N@@H+](CCN1CCN(c2ccccc2)CC1)Cc1cc(C#N)ccc1F ZINC000157761599 508608512 /nfs/dbraw/zinc/60/85/12/508608512.db2.gz QWLBESRMRFSDBZ-UHFFFAOYSA-N 1 2 352.457 2.951 20 30 FFEDLO C[C@H](c1ccc(C#N)cc1)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000118391593 508648978 /nfs/dbraw/zinc/64/89/78/508648978.db2.gz JYBGCZLWCVPIQN-GOSISDBHSA-N 1 2 354.498 2.639 20 30 FFEDLO COc1cc(/C=C/C(=O)NCCCNc2cccc[nH+]2)ccc1OCC#N ZINC000136211507 508679077 /nfs/dbraw/zinc/67/90/77/508679077.db2.gz IITFNRAWDODZDV-VQHVLOKHSA-N 1 2 366.421 2.624 20 30 FFEDLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367258022 512410988 /nfs/dbraw/zinc/41/09/88/512410988.db2.gz AKHRCECXGXCRBH-FGTMMUONSA-N 1 2 354.498 2.832 20 30 FFEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3nnc(C(C)C)o3)c2)n1 ZINC000136642394 508705590 /nfs/dbraw/zinc/70/55/90/508705590.db2.gz HPYUCENHNCIITA-UHFFFAOYSA-N 1 2 368.441 2.892 20 30 FFEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000129331713 508714160 /nfs/dbraw/zinc/71/41/60/508714160.db2.gz XEXQYSDDQIBCJK-QGZVFWFLSA-N 1 2 354.406 2.949 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)C1=O ZINC000375608794 512419102 /nfs/dbraw/zinc/41/91/02/512419102.db2.gz UBMCLKGWWUXSHT-ROUUACIJSA-N 1 2 356.857 2.938 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)C1=O ZINC000375608794 512419106 /nfs/dbraw/zinc/41/91/06/512419106.db2.gz UBMCLKGWWUXSHT-ROUUACIJSA-N 1 2 356.857 2.938 20 30 FFEDLO N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000119432649 508795276 /nfs/dbraw/zinc/79/52/76/508795276.db2.gz LDIBLBHQPSOVMH-CYBMUJFWSA-N 1 2 373.363 2.955 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000144312810 508837681 /nfs/dbraw/zinc/83/76/81/508837681.db2.gz GNNZJBZDUJHYPW-CQSZACIVSA-N 1 2 364.380 2.967 20 30 FFEDLO N#Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC000159775119 508889529 /nfs/dbraw/zinc/88/95/29/508889529.db2.gz ZLTMFVRULTUAJX-UHFFFAOYSA-N 1 2 369.852 2.974 20 30 FFEDLO N#CCC[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000160492240 508994691 /nfs/dbraw/zinc/99/46/91/508994691.db2.gz RLYKOLDZJKZXBU-OALUTQOASA-N 1 2 356.470 2.538 20 30 FFEDLO Cn1c[nH+]cc1CCNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000155642618 509043243 /nfs/dbraw/zinc/04/32/43/509043243.db2.gz FDOSNNNHEJJNRV-UHFFFAOYSA-N 1 2 360.417 2.843 20 30 FFEDLO O[C@]1(C(F)(F)F)CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000155734953 509061899 /nfs/dbraw/zinc/06/18/99/509061899.db2.gz YAFZAXACJCXEQH-CYBMUJFWSA-N 1 2 353.262 2.936 20 30 FFEDLO O[C@]1(C(F)(F)F)CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000155734953 509061901 /nfs/dbraw/zinc/06/19/01/509061901.db2.gz YAFZAXACJCXEQH-CYBMUJFWSA-N 1 2 353.262 2.936 20 30 FFEDLO Cn1cc[nH+]c1CN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120984158 509102792 /nfs/dbraw/zinc/10/27/92/509102792.db2.gz JGTYLPDBRPWMDF-INIZCTEOSA-N 1 2 374.286 2.565 20 30 FFEDLO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000152070784 509140893 /nfs/dbraw/zinc/14/08/93/509140893.db2.gz POSAIBPTJROMRS-HXUWFJFHSA-N 1 2 374.460 2.673 20 30 FFEDLO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000152070784 509140897 /nfs/dbraw/zinc/14/08/97/509140897.db2.gz POSAIBPTJROMRS-HXUWFJFHSA-N 1 2 374.460 2.673 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000156205610 509144255 /nfs/dbraw/zinc/14/42/55/509144255.db2.gz KIGHXWVOPVETFZ-MRXNPFEDSA-N 1 2 364.449 2.752 20 30 FFEDLO CCC(=O)N1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000156275003 509153643 /nfs/dbraw/zinc/15/36/43/509153643.db2.gz AKQBWVBRBPJPMU-UHFFFAOYSA-N 1 2 354.372 2.881 20 30 FFEDLO CCC(=O)N1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000156275003 509153647 /nfs/dbraw/zinc/15/36/47/509153647.db2.gz AKQBWVBRBPJPMU-UHFFFAOYSA-N 1 2 354.372 2.881 20 30 FFEDLO Cc1cccc(C)c1NC(=O)CN1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000191928529 509250376 /nfs/dbraw/zinc/25/03/76/509250376.db2.gz DGWXCLCGPWJCSS-UHFFFAOYSA-N 1 2 361.489 2.911 20 30 FFEDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000216592920 509262201 /nfs/dbraw/zinc/26/22/01/509262201.db2.gz JNFUQFJYXXXBOY-IEBWSBKVSA-N 1 2 354.498 2.717 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)Cc3cn4ccccc4[nH+]3)CC2)cc1 ZINC000264017996 509285066 /nfs/dbraw/zinc/28/50/66/509285066.db2.gz FUAUJQIIWFRCHG-UHFFFAOYSA-N 1 2 360.417 2.818 20 30 FFEDLO COc1cc(C#N)ccc1S(=O)(=O)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000185693541 509307578 /nfs/dbraw/zinc/30/75/78/509307578.db2.gz QVSLZIUGJUIPJZ-UHFFFAOYSA-N 1 2 371.340 2.719 20 30 FFEDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000188910414 509320507 /nfs/dbraw/zinc/32/05/07/509320507.db2.gz XFTRLQNPLKKWTN-IBGZPJMESA-N 1 2 365.481 2.810 20 30 FFEDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000188910414 509320510 /nfs/dbraw/zinc/32/05/10/509320510.db2.gz XFTRLQNPLKKWTN-IBGZPJMESA-N 1 2 365.481 2.810 20 30 FFEDLO NC(=[NH+]OCC1CCC2(CC1)OCCO2)c1ccc(N2CCCCC2)nc1 ZINC000192186418 509393744 /nfs/dbraw/zinc/39/37/44/509393744.db2.gz ASIDDQGGGHRHAO-UHFFFAOYSA-N 1 2 374.485 2.642 20 30 FFEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)CC1(c2ccccc2)CC1 ZINC000189306910 509511170 /nfs/dbraw/zinc/51/11/70/509511170.db2.gz UZLGYKDURUFASY-UHFFFAOYSA-N 1 2 354.475 2.996 20 30 FFEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)CC1(c2ccccc2)CC1 ZINC000189306910 509511179 /nfs/dbraw/zinc/51/11/79/509511179.db2.gz UZLGYKDURUFASY-UHFFFAOYSA-N 1 2 354.475 2.996 20 30 FFEDLO COc1cc(C(N)=[NH+]OCc2nccn2C(F)F)cc(Cl)c1OC ZINC000267519350 509526908 /nfs/dbraw/zinc/52/69/08/509526908.db2.gz FOBONCUNIJWRNY-UHFFFAOYSA-N 1 2 360.748 2.786 20 30 FFEDLO C[C@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000264472031 509546931 /nfs/dbraw/zinc/54/69/31/509546931.db2.gz NVDLTWMYVQZJGZ-RYUDHWBXSA-N 1 2 354.370 2.614 20 30 FFEDLO Cc1cc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)o1 ZINC000183053009 509568237 /nfs/dbraw/zinc/56/82/37/509568237.db2.gz STKFVXAGZMPHFO-UHFFFAOYSA-N 1 2 373.478 2.665 20 30 FFEDLO Cc1cc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)o1 ZINC000183053009 509568247 /nfs/dbraw/zinc/56/82/47/509568247.db2.gz STKFVXAGZMPHFO-UHFFFAOYSA-N 1 2 373.478 2.665 20 30 FFEDLO CC(C)c1nnc2n1CC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H]2C ZINC000189512887 509611677 /nfs/dbraw/zinc/61/16/77/509611677.db2.gz JXMGRWCUALMQIX-GFCCVEGCSA-N 1 2 358.471 2.740 20 30 FFEDLO CC(C)c1nnc2n1CC[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]2C ZINC000189512887 509611688 /nfs/dbraw/zinc/61/16/88/509611688.db2.gz JXMGRWCUALMQIX-GFCCVEGCSA-N 1 2 358.471 2.740 20 30 FFEDLO CCO[C@@H](C)c1noc(CN2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000186282210 509621899 /nfs/dbraw/zinc/62/18/99/509621899.db2.gz NGMNKXNGBKQPCS-HOTGVXAUSA-N 1 2 369.469 2.918 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000186288809 509625080 /nfs/dbraw/zinc/62/50/80/509625080.db2.gz PRXJUJZTBBDKSA-MSOLQXFVSA-N 1 2 354.498 2.638 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000186288809 509625087 /nfs/dbraw/zinc/62/50/87/509625087.db2.gz PRXJUJZTBBDKSA-MSOLQXFVSA-N 1 2 354.498 2.638 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)s1 ZINC000179872777 509656458 /nfs/dbraw/zinc/65/64/58/509656458.db2.gz IBBLCPDNKVNGNB-UHFFFAOYSA-N 1 2 367.521 2.624 20 30 FFEDLO COc1c(F)ccc(F)c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000267911850 509667202 /nfs/dbraw/zinc/66/72/02/509667202.db2.gz DIBBRIXNZPORPD-UHFFFAOYSA-N 1 2 371.387 2.803 20 30 FFEDLO CCOc1ccc(-c2noc(CO[NH+]=C(N)Cc3csc(C)n3)n2)cc1 ZINC000177052518 509842361 /nfs/dbraw/zinc/84/23/61/509842361.db2.gz ABDRNERVCLTHNM-UHFFFAOYSA-N 1 2 373.438 2.932 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000173972974 509882824 /nfs/dbraw/zinc/88/28/24/509882824.db2.gz WKDWADHAGPYNPS-HZPDHXFCSA-N 1 2 362.905 2.779 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000173972974 509882831 /nfs/dbraw/zinc/88/28/31/509882831.db2.gz WKDWADHAGPYNPS-HZPDHXFCSA-N 1 2 362.905 2.779 20 30 FFEDLO N#Cc1ccc(NC(=O)CN2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000254955409 509912361 /nfs/dbraw/zinc/91/23/61/509912361.db2.gz YHOZSISCFLGKCC-DAXSKMNVSA-N 1 2 360.461 2.828 20 30 FFEDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174091116 509943759 /nfs/dbraw/zinc/94/37/59/509943759.db2.gz GIHRINSVENFQON-UHFFFAOYSA-N 1 2 370.375 2.809 20 30 FFEDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174091116 509943770 /nfs/dbraw/zinc/94/37/70/509943770.db2.gz GIHRINSVENFQON-UHFFFAOYSA-N 1 2 370.375 2.809 20 30 FFEDLO C=CCN(CCOC)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000190175686 509987730 /nfs/dbraw/zinc/98/77/30/509987730.db2.gz NCYCOBQCWXOVTB-UHFFFAOYSA-N 1 2 351.878 2.542 20 30 FFEDLO C=CCN(CCOC)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000190175686 509987732 /nfs/dbraw/zinc/98/77/32/509987732.db2.gz NCYCOBQCWXOVTB-UHFFFAOYSA-N 1 2 351.878 2.542 20 30 FFEDLO N#CCc1ccc(NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)cc1 ZINC000171248618 510034958 /nfs/dbraw/zinc/03/49/58/510034958.db2.gz XTXAMOPRZCKLBL-UHFFFAOYSA-N 1 2 355.467 2.949 20 30 FFEDLO N#CCc1ccc(NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)cc1 ZINC000171248618 510034964 /nfs/dbraw/zinc/03/49/64/510034964.db2.gz XTXAMOPRZCKLBL-UHFFFAOYSA-N 1 2 355.467 2.949 20 30 FFEDLO CCN(C(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000193771263 510061297 /nfs/dbraw/zinc/06/12/97/510061297.db2.gz DDRGJFLQQWBTOQ-KRWDZBQOSA-N 1 2 363.465 2.517 20 30 FFEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3sccc3C#N)c2)CC1 ZINC000187144412 510085698 /nfs/dbraw/zinc/08/56/98/510085698.db2.gz AEZNCESQGJJTNH-UHFFFAOYSA-N 1 2 368.462 2.536 20 30 FFEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C3(C#N)CCCCC3)c2)CC1 ZINC000187147387 510087980 /nfs/dbraw/zinc/08/79/80/510087980.db2.gz MHAFVYWYAUCDID-UHFFFAOYSA-N 1 2 368.481 2.763 20 30 FFEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)NCCCCC#N)c2ccc(Cl)cc2)C1 ZINC000245797176 510148926 /nfs/dbraw/zinc/14/89/26/510148926.db2.gz YNFIPKTWAQYOFL-IRXDYDNUSA-N 1 2 364.877 2.705 20 30 FFEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)NCCCCC#N)c2ccc(Cl)cc2)C1 ZINC000245797176 510148931 /nfs/dbraw/zinc/14/89/31/510148931.db2.gz YNFIPKTWAQYOFL-IRXDYDNUSA-N 1 2 364.877 2.705 20 30 FFEDLO C#CCSCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000265739556 510204651 /nfs/dbraw/zinc/20/46/51/510204651.db2.gz DMESIHDFQGMWGY-HNNXBMFYSA-N 1 2 362.886 2.829 20 30 FFEDLO N#Cc1cc(Cl)ccc1N1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000171563259 510227874 /nfs/dbraw/zinc/22/78/74/510227874.db2.gz VUEOZLIWSWFKAQ-UHFFFAOYSA-N 1 2 360.889 2.783 20 30 FFEDLO Cn1c(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)nc2ccccc2c1=O ZINC000171562374 510227888 /nfs/dbraw/zinc/22/78/88/510227888.db2.gz CNBYHXKYRUXIAM-UHFFFAOYSA-N 1 2 373.460 2.517 20 30 FFEDLO Cn1c(C[N@H+]2CCCN(c3ccccc3C#N)CC2)nc2ccccc2c1=O ZINC000171562374 510227895 /nfs/dbraw/zinc/22/78/95/510227895.db2.gz CNBYHXKYRUXIAM-UHFFFAOYSA-N 1 2 373.460 2.517 20 30 FFEDLO C=CC[C@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000184273700 510232975 /nfs/dbraw/zinc/23/29/75/510232975.db2.gz HWTZIZRQQBTLFW-SNVBAGLBSA-N 1 2 365.065 2.944 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3csc(NC4CC4)n3)CC2)cc1 ZINC000269102501 510235265 /nfs/dbraw/zinc/23/52/65/510235265.db2.gz AFAYNOKYNIOBHM-UHFFFAOYSA-N 1 2 367.478 2.547 20 30 FFEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177759041 510237142 /nfs/dbraw/zinc/23/71/42/510237142.db2.gz DXCQGLMGDORBOV-UHFFFAOYSA-N 1 2 363.421 2.564 20 30 FFEDLO N#CCC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)CC1CC1 ZINC000174689998 510252732 /nfs/dbraw/zinc/25/27/32/510252732.db2.gz AEMPHWXANAYXHW-GOSISDBHSA-N 1 2 369.465 2.747 20 30 FFEDLO N#CCC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)CC1CC1 ZINC000174689998 510252736 /nfs/dbraw/zinc/25/27/36/510252736.db2.gz AEMPHWXANAYXHW-GOSISDBHSA-N 1 2 369.465 2.747 20 30 FFEDLO CC(C)[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)C(=O)OC(C)(C)C ZINC000184315492 510257246 /nfs/dbraw/zinc/25/72/46/510257246.db2.gz HWSJZBCVQCNLTJ-AWEZNQCLSA-N 1 2 351.472 2.904 20 30 FFEDLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000269208422 510290824 /nfs/dbraw/zinc/29/08/24/510290824.db2.gz JZGPSBZQBDLRFP-UHFFFAOYSA-N 1 2 372.469 2.680 20 30 FFEDLO Cc1ccc(C)c(S(=O)(=O)N2CC[NH+](CCCC(C)(C)C#N)CC2)c1 ZINC000174808070 510323225 /nfs/dbraw/zinc/32/32/25/510323225.db2.gz OAWUHDQELANPAB-UHFFFAOYSA-N 1 2 363.527 2.940 20 30 FFEDLO CC(C)(C)c1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000266037050 510373607 /nfs/dbraw/zinc/37/36/07/510373607.db2.gz OESRYEBRFVNMSS-UHFFFAOYSA-N 1 2 352.438 2.802 20 30 FFEDLO Cn1cc(C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)cn1 ZINC000181436928 510407630 /nfs/dbraw/zinc/40/76/30/510407630.db2.gz MDYFGHSGOMWIPZ-QGZVFWFLSA-N 1 2 374.286 2.565 20 30 FFEDLO Cn1cc(C[NH+]2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1C#N ZINC000191280112 510585752 /nfs/dbraw/zinc/58/57/52/510585752.db2.gz GWFURGQWEMQGCS-UHFFFAOYSA-N 1 2 360.820 2.647 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000188226783 510657042 /nfs/dbraw/zinc/65/70/42/510657042.db2.gz PJEHIHYMRKFOMF-TZIWHRDSSA-N 1 2 360.498 2.713 20 30 FFEDLO N#Cc1ccc(F)c(CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000175562330 510680017 /nfs/dbraw/zinc/68/00/17/510680017.db2.gz BYGRTSYLHDDJQK-UHFFFAOYSA-N 1 2 363.396 2.942 20 30 FFEDLO CCSCC[C@@H](C)[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000266628781 510697678 /nfs/dbraw/zinc/69/76/78/510697678.db2.gz OUBCEHWMRVBGOO-UKRRQHHQSA-N 1 2 372.494 2.975 20 30 FFEDLO CCSCC[C@@H](C)[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000266628781 510697688 /nfs/dbraw/zinc/69/76/88/510697688.db2.gz OUBCEHWMRVBGOO-UKRRQHHQSA-N 1 2 372.494 2.975 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000266640486 510703199 /nfs/dbraw/zinc/70/31/99/510703199.db2.gz UJYRAWYIIHLHRN-GJZGRUSLSA-N 1 2 370.453 2.985 20 30 FFEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000172395485 510706383 /nfs/dbraw/zinc/70/63/83/510706383.db2.gz OJGVMWSRWDTZJU-OAHLLOKOSA-N 1 2 363.417 2.806 20 30 FFEDLO CC(C)(C)CN(CCC#N)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000172421508 510719341 /nfs/dbraw/zinc/71/93/41/510719341.db2.gz UYNLTIHMWSXIAT-UHFFFAOYSA-N 1 2 362.543 2.654 20 30 FFEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1S(=O)(=O)CCCCC#N ZINC000270231579 510726155 /nfs/dbraw/zinc/72/61/55/510726155.db2.gz VHDUMGQREAPMLF-INIZCTEOSA-N 1 2 360.483 2.833 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178793368 510775172 /nfs/dbraw/zinc/77/51/72/510775172.db2.gz YKNANYIYMRYVNT-SXBQZSJRSA-N 1 2 355.463 2.755 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178793368 510775180 /nfs/dbraw/zinc/77/51/80/510775180.db2.gz YKNANYIYMRYVNT-SXBQZSJRSA-N 1 2 355.463 2.755 20 30 FFEDLO C=CC[C@@H](C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000188566762 510827964 /nfs/dbraw/zinc/82/79/64/510827964.db2.gz YBCNGXOHRBFIRW-QUCCMNQESA-N 1 2 360.523 2.670 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)c1ccc(C#N)cc1C ZINC000172671666 510841146 /nfs/dbraw/zinc/84/11/46/510841146.db2.gz CQOJHCOSUQYXBE-UHFFFAOYSA-N 1 2 368.462 2.893 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@H](c2ccccc2)C2CC2)CCN1C ZINC000329950877 510886200 /nfs/dbraw/zinc/88/62/00/510886200.db2.gz IALVIAARKUREIP-ZWKOTPCHSA-N 1 2 353.470 2.774 20 30 FFEDLO CCN1CCN(C(=O)NCc2nc(C3CC3)cs2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330002705 510898860 /nfs/dbraw/zinc/89/88/60/510898860.db2.gz ZBOWVVAVIVJZEG-AWEZNQCLSA-N 1 2 360.487 2.536 20 30 FFEDLO C[C@H](NC(=O)C1CCC(NC(=O)C2CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000330032402 510902395 /nfs/dbraw/zinc/90/23/95/510902395.db2.gz UVTZXKPYQRAWPK-JCAIJIATSA-N 1 2 351.491 2.977 20 30 FFEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)C[C@@]2(CCOC2)O1 ZINC000330159929 510927309 /nfs/dbraw/zinc/92/73/09/510927309.db2.gz RKXWXLVIOLUZSI-ZXYWRSMDSA-N 1 2 362.426 2.662 20 30 FFEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)C[C@@]2(CCOC2)O1 ZINC000330159929 510927310 /nfs/dbraw/zinc/92/73/10/510927310.db2.gz RKXWXLVIOLUZSI-ZXYWRSMDSA-N 1 2 362.426 2.662 20 30 FFEDLO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000330284129 510956914 /nfs/dbraw/zinc/95/69/14/510956914.db2.gz XBSARYPMPQAPMG-KXBFYZLASA-N 1 2 353.426 2.714 20 30 FFEDLO CC(C)(C)c1nnc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)[nH]1 ZINC000330320965 510963465 /nfs/dbraw/zinc/96/34/65/510963465.db2.gz FOXBXZMGPHWSPH-UHFFFAOYSA-N 1 2 356.474 2.902 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2cc3ccccc3[nH]c2=O)CCO1 ZINC000330320114 510963593 /nfs/dbraw/zinc/96/35/93/510963593.db2.gz DVZUEAULMPRGNB-DYVFJYSZSA-N 1 2 352.394 2.899 20 30 FFEDLO CC(C)c1nnc(CN2CC[NH+](CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)[nH]1 ZINC000330326974 510964806 /nfs/dbraw/zinc/96/48/06/510964806.db2.gz VHCAWQZUEBLBID-CVEARBPZSA-N 1 2 362.522 2.581 20 30 FFEDLO C[C@@H](c1cccc(NC(=O)N2CC3(C2)CCOCC3)c1)[NH+]1CCOCC1 ZINC000330333535 510966741 /nfs/dbraw/zinc/96/67/41/510966741.db2.gz PVLGWMWPTZTDDF-INIZCTEOSA-N 1 2 359.470 2.738 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C#N)c1C ZINC000282424213 510971709 /nfs/dbraw/zinc/97/17/09/510971709.db2.gz JQDOOHAJTPJZNF-UHFFFAOYSA-N 1 2 356.382 2.789 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C#N)c1C ZINC000282424213 510971715 /nfs/dbraw/zinc/97/17/15/510971715.db2.gz JQDOOHAJTPJZNF-UHFFFAOYSA-N 1 2 356.382 2.789 20 30 FFEDLO COc1cc(OC)cc([C@@H](NC(=O)CC(C)(C)C#N)c2[nH+]ccn2C)c1 ZINC000278207183 510985201 /nfs/dbraw/zinc/98/52/01/510985201.db2.gz GTTZXZACTKLCJI-QGZVFWFLSA-N 1 2 356.426 2.583 20 30 FFEDLO C=CCCCCCN(C)C(=O)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000297575917 510997296 /nfs/dbraw/zinc/99/72/96/510997296.db2.gz FRLHYYIZIGHZMQ-UHFFFAOYSA-N 1 2 374.407 2.609 20 30 FFEDLO CC[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278695628 511004982 /nfs/dbraw/zinc/00/49/82/511004982.db2.gz PNRVIIJACAOVAX-HNNXBMFYSA-N 1 2 365.437 2.633 20 30 FFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000331316578 511060331 /nfs/dbraw/zinc/06/03/31/511060331.db2.gz DCNULNHCMDGVDX-GWCFXTLKSA-N 1 2 369.206 2.512 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000278820069 511007648 /nfs/dbraw/zinc/00/76/48/511007648.db2.gz PHOLYULMAAMXKI-SJLPKXTDSA-N 1 2 358.486 2.538 20 30 FFEDLO Cc1nc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c(Br)s1 ZINC000331356695 511064827 /nfs/dbraw/zinc/06/48/27/511064827.db2.gz SGBRBJULXLLHBE-BDAKNGLRSA-N 1 2 362.293 2.628 20 30 FFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000285923362 511016438 /nfs/dbraw/zinc/01/64/38/511016438.db2.gz LJRIGHAOTIIYPW-NVXWUHKLSA-N 1 2 368.399 2.732 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)NC[C@](C)(O)CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000330807107 511018380 /nfs/dbraw/zinc/01/83/80/511018380.db2.gz MLTDSJGFAPRQAR-QILLFSRXSA-N 1 2 373.419 2.904 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)NC[C@](C)(O)CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000330807107 511018387 /nfs/dbraw/zinc/01/83/87/511018387.db2.gz MLTDSJGFAPRQAR-QILLFSRXSA-N 1 2 373.419 2.904 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270969521 511041815 /nfs/dbraw/zinc/04/18/15/511041815.db2.gz WCUXHSOQZQOCNY-HNNXBMFYSA-N 1 2 359.495 2.600 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270969521 511041818 /nfs/dbraw/zinc/04/18/18/511041818.db2.gz WCUXHSOQZQOCNY-HNNXBMFYSA-N 1 2 359.495 2.600 20 30 FFEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000331359546 511064188 /nfs/dbraw/zinc/06/41/88/511064188.db2.gz WPZLTUNQVMXPEV-ZWNOBZJWSA-N 1 2 369.206 2.512 20 30 FFEDLO COc1cc(O)c(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000271058852 511070990 /nfs/dbraw/zinc/07/09/90/511070990.db2.gz BLBHYSJBFKKEPL-UHFFFAOYSA-N 1 2 367.449 2.599 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1cccc(Br)c1 ZINC000331721977 511071737 /nfs/dbraw/zinc/07/17/37/511071737.db2.gz JTEBSEYXBLAWIV-GXTWGEPZSA-N 1 2 359.227 2.973 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCCc2[nH]c[nH+]c21)c1cccc(Br)c1 ZINC000331721977 511071738 /nfs/dbraw/zinc/07/17/38/511071738.db2.gz JTEBSEYXBLAWIV-GXTWGEPZSA-N 1 2 359.227 2.973 20 30 FFEDLO C=CCNC(=O)c1ccccc1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000297830770 511081587 /nfs/dbraw/zinc/08/15/87/511081587.db2.gz NAYYLEOHJBPCAN-UHFFFAOYSA-N 1 2 351.397 2.518 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+]1CCC2(C1)Oc1ccccc1O2)c1ccccc1 ZINC000289055678 511093050 /nfs/dbraw/zinc/09/30/50/511093050.db2.gz QUNURRDRKGAKLY-UHFFFAOYSA-N 1 2 363.417 2.807 20 30 FFEDLO N#CCCN(C(=O)C[N@H+]1CCC2(C1)Oc1ccccc1O2)c1ccccc1 ZINC000289055678 511093053 /nfs/dbraw/zinc/09/30/53/511093053.db2.gz QUNURRDRKGAKLY-UHFFFAOYSA-N 1 2 363.417 2.807 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N(CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000294663392 511136146 /nfs/dbraw/zinc/13/61/46/511136146.db2.gz SDBIPIPAJRURSG-SFHVURJKSA-N 1 2 369.465 2.739 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(c3ccncn3)CC2)c(C#N)c1C ZINC000298085634 511170100 /nfs/dbraw/zinc/17/01/00/511170100.db2.gz HVLFIKYVRKAJTH-ZDUSSCGKSA-N 1 2 353.426 2.765 20 30 FFEDLO N#Cc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1O ZINC000333292650 511193424 /nfs/dbraw/zinc/19/34/24/511193424.db2.gz KULGQCRWGWFCNN-UHFFFAOYSA-N 1 2 350.422 2.816 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000298281619 511233896 /nfs/dbraw/zinc/23/38/96/511233896.db2.gz AWVZBINMHFOZSK-ZDUSSCGKSA-N 1 2 371.466 2.803 20 30 FFEDLO CN(C)c1ccc(CNC(=O)NCCSCc2ccccc2C#N)c[nH+]1 ZINC000298341677 511252128 /nfs/dbraw/zinc/25/21/28/511252128.db2.gz SGDRVMJUUVXCDU-UHFFFAOYSA-N 1 2 369.494 2.752 20 30 FFEDLO CC[C@H](CSC)[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000271585459 511254070 /nfs/dbraw/zinc/25/40/70/511254070.db2.gz QQBMMIZDNGYPJG-TZMCWYRMSA-N 1 2 358.467 2.585 20 30 FFEDLO CC[C@H](CSC)[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000271585459 511254075 /nfs/dbraw/zinc/25/40/75/511254075.db2.gz QQBMMIZDNGYPJG-TZMCWYRMSA-N 1 2 358.467 2.585 20 30 FFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC(C)(C)CC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000295049191 511264071 /nfs/dbraw/zinc/26/40/71/511264071.db2.gz AYAXSZSLULRIFS-CVEARBPZSA-N 1 2 371.453 2.569 20 30 FFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CC(C)(C)CC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000295049191 511264077 /nfs/dbraw/zinc/26/40/77/511264077.db2.gz AYAXSZSLULRIFS-CVEARBPZSA-N 1 2 371.453 2.569 20 30 FFEDLO C=C(C)Cn1c(C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000283191529 511270839 /nfs/dbraw/zinc/27/08/39/511270839.db2.gz GZEVJJMLCLESOI-UHFFFAOYSA-N 1 2 355.490 2.711 20 30 FFEDLO CNC(=O)COc1ccc([NH2+]CCCOc2cccc(C#N)c2)c(C)c1 ZINC000280127935 511345565 /nfs/dbraw/zinc/34/55/65/511345565.db2.gz XKYFWUKDUGAYMI-UHFFFAOYSA-N 1 2 353.422 2.873 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000280281532 511404671 /nfs/dbraw/zinc/40/46/71/511404671.db2.gz PIYFGCFIXKBILD-ZHALLVOQSA-N 1 2 371.481 2.643 20 30 FFEDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc(C#N)ccc1Br)CCO2 ZINC000280332687 511424877 /nfs/dbraw/zinc/42/48/77/511424877.db2.gz HIMCMFLVSWKSOE-LRDDRELGSA-N 1 2 351.244 2.701 20 30 FFEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc(C#N)ccc1Br)CCO2 ZINC000280332687 511424880 /nfs/dbraw/zinc/42/48/80/511424880.db2.gz HIMCMFLVSWKSOE-LRDDRELGSA-N 1 2 351.244 2.701 20 30 FFEDLO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292263809 511528059 /nfs/dbraw/zinc/52/80/59/511528059.db2.gz RQATYYOSIHJZPQ-ZBFHGGJFSA-N 1 2 371.441 2.723 20 30 FFEDLO CC(C)CO[C@H](C)c1noc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292263809 511528062 /nfs/dbraw/zinc/52/80/62/511528062.db2.gz RQATYYOSIHJZPQ-ZBFHGGJFSA-N 1 2 371.441 2.723 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292272414 511531825 /nfs/dbraw/zinc/53/18/25/511531825.db2.gz ZQXICLQRLQNIDK-MRXNPFEDSA-N 1 2 359.495 2.989 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292272414 511531831 /nfs/dbraw/zinc/53/18/31/511531831.db2.gz ZQXICLQRLQNIDK-MRXNPFEDSA-N 1 2 359.495 2.989 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)nc1 ZINC000292321392 511552446 /nfs/dbraw/zinc/55/24/46/511552446.db2.gz VVCQGRTYOCNJCQ-ZDUSSCGKSA-N 1 2 360.320 2.793 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)nc1 ZINC000292321392 511552451 /nfs/dbraw/zinc/55/24/51/511552451.db2.gz VVCQGRTYOCNJCQ-ZDUSSCGKSA-N 1 2 360.320 2.793 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCC[C@@H]3CCCCO3)CC2)cc1 ZINC000273850385 511631718 /nfs/dbraw/zinc/63/17/18/511631718.db2.gz SGZXRRFKRMGJHN-FQEVSTJZSA-N 1 2 370.497 2.735 20 30 FFEDLO CCCCCNC(=O)CO[NH+]=C(N)c1cccc(OCc2cccnc2)c1 ZINC000299656861 511665984 /nfs/dbraw/zinc/66/59/84/511665984.db2.gz GRNGAMLEPGNOTD-UHFFFAOYSA-N 1 2 370.453 2.604 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000281014656 511688630 /nfs/dbraw/zinc/68/86/30/511688630.db2.gz NWQQVADWWMEFNN-CRAIPNDOSA-N 1 2 350.422 2.571 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000281014656 511688637 /nfs/dbraw/zinc/68/86/37/511688637.db2.gz NWQQVADWWMEFNN-CRAIPNDOSA-N 1 2 350.422 2.571 20 30 FFEDLO C#CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)C1CC1 ZINC000274014154 511693287 /nfs/dbraw/zinc/69/32/87/511693287.db2.gz BBGIEZAEOVEJAK-GOSISDBHSA-N 1 2 354.450 2.609 20 30 FFEDLO C#CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)C1CC1 ZINC000274014154 511693293 /nfs/dbraw/zinc/69/32/93/511693293.db2.gz BBGIEZAEOVEJAK-GOSISDBHSA-N 1 2 354.450 2.609 20 30 FFEDLO C#CCOc1cc(F)ccc1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000274141993 511730225 /nfs/dbraw/zinc/73/02/25/511730225.db2.gz AQHXGQQESHSDQO-UHFFFAOYSA-N 1 2 368.412 2.582 20 30 FFEDLO COc1ccc(C)nc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000274146500 511733654 /nfs/dbraw/zinc/73/36/54/511733654.db2.gz DIPBVZFVUBXIOV-UHFFFAOYSA-N 1 2 365.437 2.620 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1F ZINC000292861323 511748147 /nfs/dbraw/zinc/74/81/47/511748147.db2.gz DECVOJRKLSWIAS-UHFFFAOYSA-N 1 2 374.441 2.561 20 30 FFEDLO C=CCN1CC[C@@H](N(C)C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1=O ZINC000281302332 511796996 /nfs/dbraw/zinc/79/69/96/511796996.db2.gz JAGLUPBFMUFKFA-GOSISDBHSA-N 1 2 351.406 2.733 20 30 FFEDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1ccnc(C#N)c1)CC2 ZINC000281472239 511860722 /nfs/dbraw/zinc/86/07/22/511860722.db2.gz DNWJGWLWTWJPNI-MRXNPFEDSA-N 1 2 367.478 2.536 20 30 FFEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1ccnc(C#N)c1)CC2 ZINC000281472239 511860726 /nfs/dbraw/zinc/86/07/26/511860726.db2.gz DNWJGWLWTWJPNI-MRXNPFEDSA-N 1 2 367.478 2.536 20 30 FFEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000281528634 511879078 /nfs/dbraw/zinc/87/90/78/511879078.db2.gz LJEWLAUQASTPEA-YLJYHZDGSA-N 1 2 373.497 2.504 20 30 FFEDLO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cccc(O)c3Cl)C2=O)cc1 ZINC000293205425 511880556 /nfs/dbraw/zinc/88/05/56/511880556.db2.gz IWXQRMRUSYOCHO-INIZCTEOSA-N 1 2 355.825 2.808 20 30 FFEDLO N#C[C@H]1N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CCC[C@]12CCCCO2 ZINC000366184259 511886408 /nfs/dbraw/zinc/88/64/08/511886408.db2.gz OXOZSMUPNKBRBX-UYAOXDASSA-N 1 2 350.422 2.940 20 30 FFEDLO O=C(C[N@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1)NC(=O)NC1CC1 ZINC000328608867 511891864 /nfs/dbraw/zinc/89/18/64/511891864.db2.gz MEDLEUDSDAJSLT-VIFPVBQESA-N 1 2 359.352 2.641 20 30 FFEDLO O=C(C[N@@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1)NC(=O)NC1CC1 ZINC000328608867 511891867 /nfs/dbraw/zinc/89/18/67/511891867.db2.gz MEDLEUDSDAJSLT-VIFPVBQESA-N 1 2 359.352 2.641 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1csc(-c3nc[nH]n3)n1)C2 ZINC000328658454 511910980 /nfs/dbraw/zinc/91/09/80/511910980.db2.gz RBVQSBZSKYMCAD-SNVBAGLBSA-N 1 2 371.470 2.742 20 30 FFEDLO N#Cc1ccc(CSCC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000366236522 511916422 /nfs/dbraw/zinc/91/64/22/511916422.db2.gz VTFGZTNNVYOPDA-MOPGFXCFSA-N 1 2 373.522 2.551 20 30 FFEDLO Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCOCC2)c(O[C@H]2CCOC2)c1 ZINC000328707851 511918637 /nfs/dbraw/zinc/91/86/37/511918637.db2.gz ZPOIUCJRFMNVSN-KRWDZBQOSA-N 1 2 362.470 2.730 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@](F)(CO)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328720874 511921113 /nfs/dbraw/zinc/92/11/13/511921113.db2.gz WKSBNFJYPNDXAB-ZMSDIMECSA-N 1 2 373.831 2.545 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)N2CC[C@](F)(CO)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328720874 511921117 /nfs/dbraw/zinc/92/11/17/511921117.db2.gz WKSBNFJYPNDXAB-ZMSDIMECSA-N 1 2 373.831 2.545 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000281765152 511958336 /nfs/dbraw/zinc/95/83/36/511958336.db2.gz JCKQJSPKXDDMFZ-QGTPRVQTSA-N 1 2 372.444 2.929 20 30 FFEDLO COC(=O)c1coc(/C=C/C(=O)c2ccc(O)c(C[NH+]3CCOCC3)c2)c1 ZINC000274840805 511959842 /nfs/dbraw/zinc/95/98/42/511959842.db2.gz WNJCYLNGDPPOJN-HWKANZROSA-N 1 2 371.389 2.500 20 30 FFEDLO C[C@](O)(C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1)C(F)(F)F ZINC000281823442 511978994 /nfs/dbraw/zinc/97/89/94/511978994.db2.gz KJVZILTZPDZBKO-KRWDZBQOSA-N 1 2 364.371 2.542 20 30 FFEDLO COc1cccc(N2CC[C@@H](CNC(=O)C3([NH+]4CCOCC4)CCC3)C2)c1 ZINC000329093549 511982301 /nfs/dbraw/zinc/98/23/01/511982301.db2.gz KFIFLCOVCATMEL-KRWDZBQOSA-N 1 2 373.497 2.733 20 30 FFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000329120281 511986724 /nfs/dbraw/zinc/98/67/24/511986724.db2.gz PSARCCPANZTJLH-LPHOPBHVSA-N 1 2 356.426 2.560 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000281877935 511997843 /nfs/dbraw/zinc/99/78/43/511997843.db2.gz ZSCLTPWRCQYLSN-QGZVFWFLSA-N 1 2 358.467 2.999 20 30 FFEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C[C@@H](C)O1 ZINC000329305521 512023877 /nfs/dbraw/zinc/02/38/77/512023877.db2.gz AUPZYEXSCRXTKZ-KRHOMKONSA-N 1 2 373.497 2.544 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1sccc1-n1cnnn1)C2 ZINC000329373300 512035114 /nfs/dbraw/zinc/03/51/14/512035114.db2.gz JVIIDLIZVUABCK-NSHDSACASA-N 1 2 371.470 2.537 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329422802 512042872 /nfs/dbraw/zinc/04/28/72/512042872.db2.gz FDOQFYUVMVFYNG-HYSWKAIVSA-N 1 2 369.387 2.674 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329422802 512042877 /nfs/dbraw/zinc/04/28/77/512042877.db2.gz FDOQFYUVMVFYNG-HYSWKAIVSA-N 1 2 369.387 2.674 20 30 FFEDLO O=C(Nc1cnc2c(c1)CCCC2)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000329437175 512046023 /nfs/dbraw/zinc/04/60/23/512046023.db2.gz JHOSXFZBNAWXLD-SFHVURJKSA-N 1 2 358.486 2.693 20 30 FFEDLO CC(C)[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CCS1 ZINC000329444269 512047415 /nfs/dbraw/zinc/04/74/15/512047415.db2.gz KQFTUSISDIUPKR-HOTGVXAUSA-N 1 2 366.531 2.875 20 30 FFEDLO Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC000329453141 512049831 /nfs/dbraw/zinc/04/98/31/512049831.db2.gz NNAYGBAFWIZBKM-CVEARBPZSA-N 1 2 367.453 2.676 20 30 FFEDLO O=C(Nc1ccccc1CN1CCNC1=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329470215 512052704 /nfs/dbraw/zinc/05/27/04/512052704.db2.gz YBHCMUUMHYFZGE-UHFFFAOYSA-N 1 2 368.441 2.564 20 30 FFEDLO O=C(Nc1ccccc1CN1CCNC1=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329470215 512052710 /nfs/dbraw/zinc/05/27/10/512052710.db2.gz YBHCMUUMHYFZGE-UHFFFAOYSA-N 1 2 368.441 2.564 20 30 FFEDLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1)c1cc2ccccc2o1 ZINC000329465475 512052727 /nfs/dbraw/zinc/05/27/27/512052727.db2.gz VDQWXIOIHPGZKG-ZOBUZTSGSA-N 1 2 357.454 2.855 20 30 FFEDLO C[C@H](NC(=O)[C@H](C)[N@H+]1CCN2CCOC[C@@H]2C1)c1cc2ccccc2o1 ZINC000329465475 512052733 /nfs/dbraw/zinc/05/27/33/512052733.db2.gz VDQWXIOIHPGZKG-ZOBUZTSGSA-N 1 2 357.454 2.855 20 30 FFEDLO CCc1nnc(C)cc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000329510265 512060602 /nfs/dbraw/zinc/06/06/02/512060602.db2.gz JYSBHBJXXRQDBJ-GASCZTMLSA-N 1 2 369.469 2.861 20 30 FFEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000329527046 512064998 /nfs/dbraw/zinc/06/49/98/512064998.db2.gz UBBZTXSUAHHPRL-CYBMUJFWSA-N 1 2 362.478 2.566 20 30 FFEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000329527046 512065002 /nfs/dbraw/zinc/06/50/02/512065002.db2.gz UBBZTXSUAHHPRL-CYBMUJFWSA-N 1 2 362.478 2.566 20 30 FFEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000329572193 512071018 /nfs/dbraw/zinc/07/10/18/512071018.db2.gz MYTAFEOHFKAZGM-IWTAEOLZSA-N 1 2 368.543 2.667 20 30 FFEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000329572193 512071025 /nfs/dbraw/zinc/07/10/25/512071025.db2.gz MYTAFEOHFKAZGM-IWTAEOLZSA-N 1 2 368.543 2.667 20 30 FFEDLO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329597215 512074792 /nfs/dbraw/zinc/07/47/92/512074792.db2.gz CLQDWLLGQSTTPG-HNNXBMFYSA-N 1 2 353.426 2.506 20 30 FFEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H](c2ccc(F)cc2)O1 ZINC000329628031 512079105 /nfs/dbraw/zinc/07/91/05/512079105.db2.gz UMMUJZKJMXSHAH-DWQUBVKVSA-N 1 2 358.417 2.782 20 30 FFEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H](c2ccc(F)cc2)O1 ZINC000329628031 512079111 /nfs/dbraw/zinc/07/91/11/512079111.db2.gz UMMUJZKJMXSHAH-DWQUBVKVSA-N 1 2 358.417 2.782 20 30 FFEDLO O=C(NC[C@@H]1CCCCS1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000329728389 512091324 /nfs/dbraw/zinc/09/13/24/512091324.db2.gz FODKYPXXAHDXLM-KRWDZBQOSA-N 1 2 373.526 2.652 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@H]1CC=CCC1 ZINC000329896045 512106069 /nfs/dbraw/zinc/10/60/69/512106069.db2.gz CFPSSHVSXZCYFC-JYJNAYRXSA-N 1 2 350.438 2.816 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@H]1CC=CCC1 ZINC000329896045 512106070 /nfs/dbraw/zinc/10/60/70/512106070.db2.gz CFPSSHVSXZCYFC-JYJNAYRXSA-N 1 2 350.438 2.816 20 30 FFEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)NC1CCC(C)(C)CC1 ZINC000329897049 512106152 /nfs/dbraw/zinc/10/61/52/512106152.db2.gz CWOWTQCWYJUNEP-HOCLYGCPSA-N 1 2 365.497 2.805 20 30 FFEDLO CC[N@H+](Cc1ccc(OC)cc1OC)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000411201276 512517533 /nfs/dbraw/zinc/51/75/33/512517533.db2.gz QGUSZSCBCCTPFI-IBGZPJMESA-N 1 2 353.422 2.624 20 30 FFEDLO CC[N@@H+](Cc1ccc(OC)cc1OC)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000411201276 512517538 /nfs/dbraw/zinc/51/75/38/512517538.db2.gz QGUSZSCBCCTPFI-IBGZPJMESA-N 1 2 353.422 2.624 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000375976022 512596533 /nfs/dbraw/zinc/59/65/33/512596533.db2.gz SUBZJTRGCCTCFM-SJORKVTESA-N 1 2 365.518 2.742 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000374026069 512629138 /nfs/dbraw/zinc/62/91/38/512629138.db2.gz IQQTYISUVCLNMY-UIVXKWKOSA-N 1 2 357.454 2.544 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000374026069 512629141 /nfs/dbraw/zinc/62/91/41/512629141.db2.gz IQQTYISUVCLNMY-UIVXKWKOSA-N 1 2 357.454 2.544 20 30 FFEDLO N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000378204558 512638720 /nfs/dbraw/zinc/63/87/20/512638720.db2.gz WIRWNGNMYGPYQH-HNNXBMFYSA-N 1 2 362.389 2.741 20 30 FFEDLO N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000378204558 512638725 /nfs/dbraw/zinc/63/87/25/512638725.db2.gz WIRWNGNMYGPYQH-HNNXBMFYSA-N 1 2 362.389 2.741 20 30 FFEDLO CCc1ccc([C@H](COC)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000411510723 512667979 /nfs/dbraw/zinc/66/79/79/512667979.db2.gz HDCPJCCSPVMSDE-CABCVRRESA-N 1 2 359.451 2.858 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000376294600 512754116 /nfs/dbraw/zinc/75/41/16/512754116.db2.gz UGTMLKYUTPKWTR-HXUWFJFHSA-N 1 2 362.477 2.984 20 30 FFEDLO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000372347567 512827286 /nfs/dbraw/zinc/82/72/86/512827286.db2.gz SIFCJSDQMHMXLO-HXUWFJFHSA-N 1 2 365.433 2.969 20 30 FFEDLO COc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000372347567 512827289 /nfs/dbraw/zinc/82/72/89/512827289.db2.gz SIFCJSDQMHMXLO-HXUWFJFHSA-N 1 2 365.433 2.969 20 30 FFEDLO CCN1CCN(c2cccc(Br)c2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000368183468 512835651 /nfs/dbraw/zinc/83/56/51/512835651.db2.gz HCWDGWNEOYRSJX-HNNXBMFYSA-N 1 2 360.259 2.927 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)c(C#N)c1C ZINC000412054738 512934129 /nfs/dbraw/zinc/93/41/29/512934129.db2.gz JETRLIVGAIJEKK-GOEBONIOSA-N 1 2 372.469 2.572 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](N3CCCC3=O)CC2)c(C#N)c1C ZINC000412054738 512934135 /nfs/dbraw/zinc/93/41/35/512934135.db2.gz JETRLIVGAIJEKK-GOEBONIOSA-N 1 2 372.469 2.572 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)c(C#N)c1C ZINC000412054740 512934423 /nfs/dbraw/zinc/93/44/23/512934423.db2.gz JETRLIVGAIJEKK-ZBFHGGJFSA-N 1 2 372.469 2.572 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](N3CCCC3=O)CC2)c(C#N)c1C ZINC000412054740 512934425 /nfs/dbraw/zinc/93/44/25/512934425.db2.gz JETRLIVGAIJEKK-ZBFHGGJFSA-N 1 2 372.469 2.572 20 30 FFEDLO Cc1cn2c([nH+]1)CN([C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)CC2 ZINC000374661328 512942049 /nfs/dbraw/zinc/94/20/49/512942049.db2.gz LINPLZZDMPOGGZ-KRWDZBQOSA-N 1 2 351.454 2.651 20 30 FFEDLO C[N@H+](Cc1cc(C#N)ccc1Br)C(C)(C)CN1CCOCC1 ZINC000412103382 512961762 /nfs/dbraw/zinc/96/17/62/512961762.db2.gz ZPWDZEVWXUKVFK-UHFFFAOYSA-N 1 2 366.303 2.863 20 30 FFEDLO C[N@@H+](Cc1cc(C#N)ccc1Br)C(C)(C)CN1CCOCC1 ZINC000412103382 512961764 /nfs/dbraw/zinc/96/17/64/512961764.db2.gz ZPWDZEVWXUKVFK-UHFFFAOYSA-N 1 2 366.303 2.863 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c(C#N)c1C ZINC000374864112 513043937 /nfs/dbraw/zinc/04/39/37/513043937.db2.gz LXJHQRMULKCKNI-XCLFUZPHSA-N 1 2 371.412 2.828 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c(C#N)c1C ZINC000374864112 513043938 /nfs/dbraw/zinc/04/39/38/513043938.db2.gz LXJHQRMULKCKNI-XCLFUZPHSA-N 1 2 371.412 2.828 20 30 FFEDLO C=C(C)COc1cc(C[N@H+]2CC[C@H](OC)C[C@@H]2C(=O)OC)ccc1OC ZINC000374893304 513059155 /nfs/dbraw/zinc/05/91/55/513059155.db2.gz GQRIBEJQFMWQJC-DLBZAZTESA-N 1 2 363.454 2.803 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C(=O)OC)ccc1OC ZINC000374893304 513059160 /nfs/dbraw/zinc/05/91/60/513059160.db2.gz GQRIBEJQFMWQJC-DLBZAZTESA-N 1 2 363.454 2.803 20 30 FFEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOCC1 ZINC000424535377 513175737 /nfs/dbraw/zinc/17/57/37/513175737.db2.gz CBDIGVKKMLAEGI-UHFFFAOYSA-N 1 2 353.466 2.575 20 30 FFEDLO C=CCC1(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CCOCC1 ZINC000424599205 513198868 /nfs/dbraw/zinc/19/88/68/513198868.db2.gz MHTFWQPDQMYXTQ-UHFFFAOYSA-N 1 2 357.498 2.745 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000450496470 513220958 /nfs/dbraw/zinc/22/09/58/513220958.db2.gz YNMZUPJJKWTQNR-IBGZPJMESA-N 1 2 369.509 2.534 20 30 FFEDLO C=CCNc1ncc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000412701102 513233549 /nfs/dbraw/zinc/23/35/49/513233549.db2.gz RZMLROKKTMKFME-HNNXBMFYSA-N 1 2 356.495 2.509 20 30 FFEDLO C=CCNc1ncc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000412701102 513233555 /nfs/dbraw/zinc/23/35/55/513233555.db2.gz RZMLROKKTMKFME-HNNXBMFYSA-N 1 2 356.495 2.509 20 30 FFEDLO Cc1cc(Br)cn2cc(CCNC(=O)[C@@]3(C#N)C[C@H]3C)[nH+]c12 ZINC000450600796 513268238 /nfs/dbraw/zinc/26/82/38/513268238.db2.gz UBPQUUKHTDVJKS-BDJLRTHQSA-N 1 2 361.243 2.614 20 30 FFEDLO N#Cc1c(N)n(-c2ccccc2)nc1CCCNc1cc(NC2CC2)nc[nH+]1 ZINC000413055272 513412870 /nfs/dbraw/zinc/41/28/70/513412870.db2.gz SKZFGXIVPRAHMA-UHFFFAOYSA-N 1 2 374.452 2.735 20 30 FFEDLO N#Cc1c(N)n(-c2ccccc2)nc1CCCNc1cc(NC2CC2)[nH+]cn1 ZINC000413055272 513412875 /nfs/dbraw/zinc/41/28/75/513412875.db2.gz SKZFGXIVPRAHMA-UHFFFAOYSA-N 1 2 374.452 2.735 20 30 FFEDLO C[NH+](C)[C@H](CNS(=O)(=O)CC(C)(C)CC#N)c1ccccc1Cl ZINC000450987884 513441117 /nfs/dbraw/zinc/44/11/17/513441117.db2.gz YZVNMYWFAVPJDX-OAHLLOKOSA-N 1 2 357.907 2.802 20 30 FFEDLO COc1cc(OC)cc(N2CC[C@@H](CNc3cc(C)[nH+]cc3C#N)C2)c1 ZINC000425236882 513466330 /nfs/dbraw/zinc/46/63/30/513466330.db2.gz KNYPDVWSPJNMHZ-HNNXBMFYSA-N 1 2 352.438 2.639 20 30 FFEDLO C=CCn1cc(CNc2c(C(=O)OCC)c[nH+]c3ccc(C)cc32)nn1 ZINC000425262318 513480837 /nfs/dbraw/zinc/48/08/37/513480837.db2.gz GXFWUFRCJQRROE-UHFFFAOYSA-N 1 2 351.410 2.531 20 30 FFEDLO N#Cc1cccc(C2(C(=O)N3CC[NH+](Cc4cccs4)CC3)CC2)c1 ZINC000435043328 513495852 /nfs/dbraw/zinc/49/58/52/513495852.db2.gz AORHWKPFSFTKHB-UHFFFAOYSA-N 1 2 351.475 2.996 20 30 FFEDLO N#CCC1(CNC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000430685508 513722911 /nfs/dbraw/zinc/72/29/11/513722911.db2.gz RJYXCUMKPABNKN-AWEZNQCLSA-N 1 2 362.424 2.922 20 30 FFEDLO N#CCC1(CNC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000430685508 513722917 /nfs/dbraw/zinc/72/29/17/513722917.db2.gz RJYXCUMKPABNKN-AWEZNQCLSA-N 1 2 362.424 2.922 20 30 FFEDLO Cc1csc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000436198382 513791544 /nfs/dbraw/zinc/79/15/44/513791544.db2.gz OFPWZJKMFQKHOV-UHFFFAOYSA-N 1 2 354.479 2.600 20 30 FFEDLO O=C1[C@@H]2CCC[N@H+](CC#Cc3ccccc3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000436258388 513809299 /nfs/dbraw/zinc/80/92/99/513809299.db2.gz BGJWJVFVJIKCAA-RTWAWAEBSA-N 1 2 358.441 2.688 20 30 FFEDLO O=C1[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000436258388 513809306 /nfs/dbraw/zinc/80/93/06/513809306.db2.gz BGJWJVFVJIKCAA-RTWAWAEBSA-N 1 2 358.441 2.688 20 30 FFEDLO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)Nc1cccc(C#N)c1 ZINC000431085852 513822969 /nfs/dbraw/zinc/82/29/69/513822969.db2.gz LJYLXOYCSWBTAF-QWRGUYRKSA-N 1 2 374.242 2.789 20 30 FFEDLO C=CCOc1ccc(CC(=O)N2CC[NH+](Cc3c(C)noc3C)CC2)cc1 ZINC000448705755 513855673 /nfs/dbraw/zinc/85/56/73/513855673.db2.gz CUANRGFRZJCSPX-UHFFFAOYSA-N 1 2 369.465 2.743 20 30 FFEDLO CC[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1[nH]cc[nH+]1 ZINC000443117772 513876955 /nfs/dbraw/zinc/87/69/55/513876955.db2.gz NVJOAYWRDGHYDK-MRXNPFEDSA-N 1 2 353.426 2.704 20 30 FFEDLO Cc1cc(C(F)(F)F)ccc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000448835536 513922288 /nfs/dbraw/zinc/92/22/88/513922288.db2.gz LHKXEXTUTSITNX-UHFFFAOYSA-N 1 2 369.387 2.702 20 30 FFEDLO Cc1ccc(-n2cnnc2SC[C@@H](O)C[N@H+](C)CCC#N)cc1Cl ZINC000414092759 513973089 /nfs/dbraw/zinc/97/30/89/513973089.db2.gz GPSZNVNWZDMDDD-AWEZNQCLSA-N 1 2 365.890 2.528 20 30 FFEDLO Cc1ccc(-n2cnnc2SC[C@@H](O)C[N@@H+](C)CCC#N)cc1Cl ZINC000414092759 513973097 /nfs/dbraw/zinc/97/30/97/513973097.db2.gz GPSZNVNWZDMDDD-AWEZNQCLSA-N 1 2 365.890 2.528 20 30 FFEDLO CCn1c(SC[C@H](O)C[N@H+](C)CCC#N)nnc1-c1cccc(C)c1 ZINC000414097005 513974175 /nfs/dbraw/zinc/97/41/75/513974175.db2.gz MQFZWJDDMFKGOV-MRXNPFEDSA-N 1 2 359.499 2.572 20 30 FFEDLO CCn1c(SC[C@H](O)C[N@@H+](C)CCC#N)nnc1-c1cccc(C)c1 ZINC000414097005 513974181 /nfs/dbraw/zinc/97/41/81/513974181.db2.gz MQFZWJDDMFKGOV-MRXNPFEDSA-N 1 2 359.499 2.572 20 30 FFEDLO C=CCC[C@H]1NC(=O)N(Cc2[nH+]ccn2CCCc2ccccc2)C1=O ZINC000419950400 513978474 /nfs/dbraw/zinc/97/84/74/513978474.db2.gz MFHCJBHDAQZTGR-QGZVFWFLSA-N 1 2 352.438 2.903 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc([N+](=O)[O-])cc1-c1cccs1 ZINC000414148531 513990622 /nfs/dbraw/zinc/99/06/22/513990622.db2.gz SUHOORSBFATRHI-CQSZACIVSA-N 1 2 361.423 2.908 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc([N+](=O)[O-])cc1-c1cccs1 ZINC000414148531 513990630 /nfs/dbraw/zinc/99/06/30/513990630.db2.gz SUHOORSBFATRHI-CQSZACIVSA-N 1 2 361.423 2.908 20 30 FFEDLO C[NH+](C)CCOc1ccc(NS(=O)(=O)c2ccc(C#N)s2)cc1F ZINC000414390355 514087423 /nfs/dbraw/zinc/08/74/23/514087423.db2.gz WWWYPCXBIVJYBX-UHFFFAOYSA-N 1 2 369.443 2.500 20 30 FFEDLO C[N@H+](CC(=O)NCc1cccs1)Cc1ccc(C#N)cc1OC(F)F ZINC000437139700 514097531 /nfs/dbraw/zinc/09/75/31/514097531.db2.gz XPFMMUSNVJEPJF-UHFFFAOYSA-N 1 2 365.405 2.969 20 30 FFEDLO C[N@@H+](CC(=O)NCc1cccs1)Cc1ccc(C#N)cc1OC(F)F ZINC000437139700 514097537 /nfs/dbraw/zinc/09/75/37/514097537.db2.gz XPFMMUSNVJEPJF-UHFFFAOYSA-N 1 2 365.405 2.969 20 30 FFEDLO N#CCCC[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000432229248 514132209 /nfs/dbraw/zinc/13/22/09/514132209.db2.gz PCXTVWQBDROPRX-RTBURBONSA-N 1 2 356.470 2.584 20 30 FFEDLO N#CCCC[C@@H](NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000432229248 514132211 /nfs/dbraw/zinc/13/22/11/514132211.db2.gz PCXTVWQBDROPRX-RTBURBONSA-N 1 2 356.470 2.584 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000437485987 514169263 /nfs/dbraw/zinc/16/92/63/514169263.db2.gz SOWAEPUSMRVTSE-QYZOEREBSA-N 1 2 360.523 2.874 20 30 FFEDLO N#Cc1ccc2ncc(C[N@@H+]3C[C@@H](c4ccccc4)[C@](F)(CO)C3)n2c1 ZINC000449421689 514204951 /nfs/dbraw/zinc/20/49/51/514204951.db2.gz LUSHIJVBGBHDQP-AZUAARDMSA-N 1 2 350.397 2.506 20 30 FFEDLO N#Cc1ccc2ncc(C[N@H+]3C[C@@H](c4ccccc4)[C@](F)(CO)C3)n2c1 ZINC000449421689 514204961 /nfs/dbraw/zinc/20/49/61/514204961.db2.gz LUSHIJVBGBHDQP-AZUAARDMSA-N 1 2 350.397 2.506 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc1OC ZINC000449529788 514243675 /nfs/dbraw/zinc/24/36/75/514243675.db2.gz ZWHAYMZPPAVYRH-MRXNPFEDSA-N 1 2 353.484 2.659 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc1OC ZINC000449529788 514243681 /nfs/dbraw/zinc/24/36/81/514243681.db2.gz ZWHAYMZPPAVYRH-MRXNPFEDSA-N 1 2 353.484 2.659 20 30 FFEDLO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000437887684 514261226 /nfs/dbraw/zinc/26/12/26/514261226.db2.gz IQFQOBSQOXXESM-GDBMZVCRSA-N 1 2 372.437 2.947 20 30 FFEDLO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000437887684 514261231 /nfs/dbraw/zinc/26/12/31/514261231.db2.gz IQFQOBSQOXXESM-GDBMZVCRSA-N 1 2 372.437 2.947 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3ccn(-c4ccccc4F)n3)CC2)n1 ZINC000445794343 514523013 /nfs/dbraw/zinc/52/30/13/514523013.db2.gz OKBDLNPRCZRNET-UHFFFAOYSA-N 1 2 362.412 2.600 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cccc(C#N)c2Br)C1 ZINC000450241263 514559224 /nfs/dbraw/zinc/55/92/24/514559224.db2.gz GFRLIKVZWORUOM-GFCCVEGCSA-N 1 2 359.227 2.684 20 30 FFEDLO C=C(CC)CNC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000455519480 514570357 /nfs/dbraw/zinc/57/03/57/514570357.db2.gz IFTIAGXCGZTUDS-KRWDZBQOSA-N 1 2 358.442 2.792 20 30 FFEDLO Cc1cc(C)c(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c[nH+]1 ZINC000455539208 514579746 /nfs/dbraw/zinc/57/97/46/514579746.db2.gz DHALQUZFXUHSRE-UHFFFAOYSA-N 1 2 367.428 2.741 20 30 FFEDLO CC(C)(C)CN1CCC[C@@H]([NH+]2CCN(c3cccc(F)c3C#N)CC2)C1=O ZINC000461392495 514589703 /nfs/dbraw/zinc/58/97/03/514589703.db2.gz WIWBXBGPIGXMEZ-LJQANCHMSA-N 1 2 372.488 2.856 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000502555473 514693234 /nfs/dbraw/zinc/69/32/34/514693234.db2.gz QPLHXQQRWAZYDQ-DOTOQJQBSA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000502555473 514693242 /nfs/dbraw/zinc/69/32/42/514693242.db2.gz QPLHXQQRWAZYDQ-DOTOQJQBSA-N 1 2 358.804 2.921 20 30 FFEDLO C[C@@H]1OCC[C@]12C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCO2 ZINC000470958954 514694018 /nfs/dbraw/zinc/69/40/18/514694018.db2.gz GGWHWUZYLWAXFF-YOEHRIQHSA-N 1 2 355.356 2.817 20 30 FFEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCO2 ZINC000470958954 514694029 /nfs/dbraw/zinc/69/40/29/514694029.db2.gz GGWHWUZYLWAXFF-YOEHRIQHSA-N 1 2 355.356 2.817 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489084275 514701717 /nfs/dbraw/zinc/70/17/17/514701717.db2.gz ZQHRIHPRWDMBJX-UHFFFAOYSA-N 1 2 372.425 2.724 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C#N)nc2)[C@H](C)C1 ZINC000508301815 514736122 /nfs/dbraw/zinc/73/61/22/514736122.db2.gz OXCYDNXYIUTUGN-MRXNPFEDSA-N 1 2 364.449 2.698 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C#N)nc2)[C@H](C)C1 ZINC000508301815 514736131 /nfs/dbraw/zinc/73/61/31/514736131.db2.gz OXCYDNXYIUTUGN-MRXNPFEDSA-N 1 2 364.449 2.698 20 30 FFEDLO C[C@@H](C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000461787047 514736848 /nfs/dbraw/zinc/73/68/48/514736848.db2.gz RUDPDGJZKXMFHO-DYESRHJHSA-N 1 2 363.461 2.851 20 30 FFEDLO CCC[C@H](C(=O)OCC)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000502694110 514743187 /nfs/dbraw/zinc/74/31/87/514743187.db2.gz ZHVAIBWNXTYAKA-LJQANCHMSA-N 1 2 366.465 2.960 20 30 FFEDLO C=CC[N@@H+](Cc1ncnn1CC(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000489226183 514759756 /nfs/dbraw/zinc/75/97/56/514759756.db2.gz PYRXXHZRINDYOO-MRXNPFEDSA-N 1 2 366.473 2.659 20 30 FFEDLO C=CC[N@H+](Cc1ncnn1CC(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000489226183 514759764 /nfs/dbraw/zinc/75/97/64/514759764.db2.gz PYRXXHZRINDYOO-MRXNPFEDSA-N 1 2 366.473 2.659 20 30 FFEDLO COc1ccc(CN2CCC[N@H+](Cc3cc(C#N)ccc3F)CC2=O)cc1 ZINC000467222310 514945663 /nfs/dbraw/zinc/94/56/63/514945663.db2.gz JAUKTPSGMSRURD-UHFFFAOYSA-N 1 2 367.424 2.940 20 30 FFEDLO COc1ccc(CN2CCC[N@@H+](Cc3cc(C#N)ccc3F)CC2=O)cc1 ZINC000467222310 514945674 /nfs/dbraw/zinc/94/56/74/514945674.db2.gz JAUKTPSGMSRURD-UHFFFAOYSA-N 1 2 367.424 2.940 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503214899 514963343 /nfs/dbraw/zinc/96/33/43/514963343.db2.gz HRTWLTOZVZSLLM-MSOLQXFVSA-N 1 2 359.514 2.951 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503214899 514963357 /nfs/dbraw/zinc/96/33/57/514963357.db2.gz HRTWLTOZVZSLLM-MSOLQXFVSA-N 1 2 359.514 2.951 20 30 FFEDLO COc1ccc(F)c(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000509094454 515019581 /nfs/dbraw/zinc/01/95/81/515019581.db2.gz LKQWAXOJZJZCMO-XOBRGWDASA-N 1 2 351.381 2.680 20 30 FFEDLO COc1ccc(F)c(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000509094454 515019587 /nfs/dbraw/zinc/01/95/87/515019587.db2.gz LKQWAXOJZJZCMO-XOBRGWDASA-N 1 2 351.381 2.680 20 30 FFEDLO C[C@H](C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1)c1cccc(C#N)c1 ZINC000462386407 515024839 /nfs/dbraw/zinc/02/48/39/515024839.db2.gz AWKBJHDFTFRNQJ-BTYIYWSLSA-N 1 2 371.481 2.584 20 30 FFEDLO C=CCC(C)(C)CNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000489958753 515048090 /nfs/dbraw/zinc/04/80/90/515048090.db2.gz UFIKRLLCNZIBBD-QGZVFWFLSA-N 1 2 360.502 2.736 20 30 FFEDLO C=CCC(C)(C)CNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000489958753 515048096 /nfs/dbraw/zinc/04/80/96/515048096.db2.gz UFIKRLLCNZIBBD-QGZVFWFLSA-N 1 2 360.502 2.736 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](CCOC)[C@@H]1CCOC1 ZINC000490049914 515081458 /nfs/dbraw/zinc/08/14/58/515081458.db2.gz XPDCIJCYFOEBSX-OAHLLOKOSA-N 1 2 350.484 2.641 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+](CCOC)[C@@H]1CCOC1 ZINC000490049914 515081462 /nfs/dbraw/zinc/08/14/62/515081462.db2.gz XPDCIJCYFOEBSX-OAHLLOKOSA-N 1 2 350.484 2.641 20 30 FFEDLO COC(=O)[C@@H](CC(C)C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000509266853 515099704 /nfs/dbraw/zinc/09/97/04/515099704.db2.gz ZWFDFAKZTQQKSP-LJQANCHMSA-N 1 2 366.465 2.816 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000456352246 515121278 /nfs/dbraw/zinc/12/12/78/515121278.db2.gz LKLREVSPYLNUAG-NVXWUHKLSA-N 1 2 366.469 2.572 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000504019910 515199290 /nfs/dbraw/zinc/19/92/90/515199290.db2.gz KFNOCVRPGGLTMR-UHFFFAOYSA-N 1 2 352.438 2.757 20 30 FFEDLO Cc1ccc([C@@H](CNC(=O)c2cccc(C#N)c2C)[NH+]2CCOCC2)cc1 ZINC000509554074 515230104 /nfs/dbraw/zinc/23/01/04/515230104.db2.gz PPBFEEFCWTYAFW-OAQYLSRUSA-N 1 2 363.461 2.978 20 30 FFEDLO C=CC(C)(C)CNC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000458990204 515254841 /nfs/dbraw/zinc/25/48/41/515254841.db2.gz QVQXSRSXUZVSAQ-UHFFFAOYSA-N 1 2 361.486 2.743 20 30 FFEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000462839930 515265818 /nfs/dbraw/zinc/26/58/18/515265818.db2.gz JYYQVGUQUJYALP-UHFFFAOYSA-N 1 2 350.401 2.599 20 30 FFEDLO CC(C)[C@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000481303583 515283272 /nfs/dbraw/zinc/28/32/72/515283272.db2.gz WWOALNYABUQVBE-QGZVFWFLSA-N 1 2 368.399 2.530 20 30 FFEDLO CC(C)[C@H]1C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000481303583 515283283 /nfs/dbraw/zinc/28/32/83/515283283.db2.gz WWOALNYABUQVBE-QGZVFWFLSA-N 1 2 368.399 2.530 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH+]1CCC(C(F)F)CC1 ZINC000486119586 515341272 /nfs/dbraw/zinc/34/12/72/515341272.db2.gz LIBKBYWYBQIQJS-UHFFFAOYSA-N 1 2 359.380 2.660 20 30 FFEDLO C[NH+](C)[C@@H](CNS(=O)(=O)CC1(C#N)CCC1)c1ccccc1Cl ZINC000472671351 515359805 /nfs/dbraw/zinc/35/98/05/515359805.db2.gz NMOAOIVAGLLHCV-HNNXBMFYSA-N 1 2 355.891 2.556 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000454307103 515385744 /nfs/dbraw/zinc/38/57/44/515385744.db2.gz VWQIOTXSACMMQB-MSOLQXFVSA-N 1 2 354.454 2.507 20 30 FFEDLO N#Cc1c(F)cccc1-n1ccc(NCc2[nH+]ccn2CC(F)(F)F)n1 ZINC000510116114 515440736 /nfs/dbraw/zinc/44/07/36/515440736.db2.gz MZLHPRCRFAXRQT-UHFFFAOYSA-N 1 2 364.306 2.676 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000459295894 515452956 /nfs/dbraw/zinc/45/29/56/515452956.db2.gz DOTJCSUKOKMSIF-UHFFFAOYSA-N 1 2 364.405 2.861 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cccc(O)c3Br)CC2)c1 ZINC000459301393 515456841 /nfs/dbraw/zinc/45/68/41/515456841.db2.gz DCBRIODGLQLHMK-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2cccc3ccccc32)C1=O ZINC000499937981 515523116 /nfs/dbraw/zinc/52/31/16/515523116.db2.gz INXNZWGRDXVECP-DNVCBOLYSA-N 1 2 351.450 2.886 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2cccc3ccccc32)C1=O ZINC000499937981 515523125 /nfs/dbraw/zinc/52/31/25/515523125.db2.gz INXNZWGRDXVECP-DNVCBOLYSA-N 1 2 351.450 2.886 20 30 FFEDLO N#Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000486630655 515570612 /nfs/dbraw/zinc/57/06/12/515570612.db2.gz ZPSNEMUFCOBFRV-UHFFFAOYSA-N 1 2 350.447 2.840 20 30 FFEDLO N#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000486630655 515570621 /nfs/dbraw/zinc/57/06/21/515570621.db2.gz ZPSNEMUFCOBFRV-UHFFFAOYSA-N 1 2 350.447 2.840 20 30 FFEDLO COC(=O)c1ccc(N2CC[NH+](Cc3cccc(C#N)c3F)CC2)s1 ZINC000459504679 515603584 /nfs/dbraw/zinc/60/35/84/515603584.db2.gz DFEFNNNGZFXMPS-UHFFFAOYSA-N 1 2 359.426 2.868 20 30 FFEDLO C=CCOC[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc2C1)C(=O)OC ZINC000482437475 515674888 /nfs/dbraw/zinc/67/48/88/515674888.db2.gz KQELRDHCADDTCM-CVEARBPZSA-N 1 2 368.271 2.640 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(Cl)cc1 ZINC000505815695 515682553 /nfs/dbraw/zinc/68/25/53/515682553.db2.gz PESKOHDDDUNMTN-MOPGFXCFSA-N 1 2 369.852 2.922 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(Cl)cc1 ZINC000505815695 515682563 /nfs/dbraw/zinc/68/25/63/515682563.db2.gz PESKOHDDDUNMTN-MOPGFXCFSA-N 1 2 369.852 2.922 20 30 FFEDLO COc1cc(C)c([C@@H](C)NC(=O)C[NH+]2CCC(F)(C#N)CC2)cc1OC ZINC000510886327 515703065 /nfs/dbraw/zinc/70/30/65/515703065.db2.gz DXDRYJGHXNLENU-CQSZACIVSA-N 1 2 363.433 2.517 20 30 FFEDLO COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)cc1F ZINC000510906514 515710846 /nfs/dbraw/zinc/71/08/46/515710846.db2.gz ZOSUEXIYJPVKHC-ZDUSSCGKSA-N 1 2 351.397 2.509 20 30 FFEDLO CC[N@@H+](CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C)C[C@@H](C)C#N ZINC000505893359 515714654 /nfs/dbraw/zinc/71/46/54/515714654.db2.gz DXVSQFFQHWGGPN-YWZLYKJASA-N 1 2 359.470 2.753 20 30 FFEDLO CC[N@H+](CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C)C[C@@H](C)C#N ZINC000505893359 515714659 /nfs/dbraw/zinc/71/46/59/515714659.db2.gz DXVSQFFQHWGGPN-YWZLYKJASA-N 1 2 359.470 2.753 20 30 FFEDLO COc1ccccc1[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1ccco1 ZINC000469247380 515739598 /nfs/dbraw/zinc/73/95/98/515739598.db2.gz MXTKPFDEVQJCNI-KBXCAEBGSA-N 1 2 353.422 2.918 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)CCC2 ZINC000487111812 515762842 /nfs/dbraw/zinc/76/28/42/515762842.db2.gz SWWBDAVIDVAHPB-LLVKDONJSA-N 1 2 363.343 2.784 20 30 FFEDLO C[NH+](C)Cc1csc(NC(=O)CCCC(=O)Nc2ccccc2C#N)n1 ZINC000457289293 515783159 /nfs/dbraw/zinc/78/31/59/515783159.db2.gz BRRGOMZNIOYQNR-UHFFFAOYSA-N 1 2 371.466 2.824 20 30 FFEDLO C[C@H]([C@H](C)NC(=O)c1cn(CCCC#N)c2ccccc12)[NH+]1CCOCC1 ZINC000469368064 515787752 /nfs/dbraw/zinc/78/77/52/515787752.db2.gz URYCBOQHWLGTFI-DLBZAZTESA-N 1 2 368.481 2.784 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)cc1OC ZINC000500686633 515817365 /nfs/dbraw/zinc/81/73/65/515817365.db2.gz MEJBLTUOUPAJCB-UHFFFAOYSA-N 1 2 367.449 2.926 20 30 FFEDLO N#Cc1ncn(-c2ccccc2NC(=O)c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000464648743 515909413 /nfs/dbraw/zinc/90/94/13/515909413.db2.gz NRCBPHSSJVMSRN-UHFFFAOYSA-N 1 2 369.388 2.636 20 30 FFEDLO CC(C)[C@H]([NH2+]CC#Cc1ccccc1Cl)c1nc(-c2nc[nH]n2)no1 ZINC000494675185 515920417 /nfs/dbraw/zinc/92/04/17/515920417.db2.gz SOKJSHDDCRQUOW-AWEZNQCLSA-N 1 2 356.817 2.847 20 30 FFEDLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000464825821 515977737 /nfs/dbraw/zinc/97/77/37/515977737.db2.gz YCJZFNHXFFHHKD-PKOBYXMFSA-N 1 2 369.465 2.941 20 30 FFEDLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000464825821 515977747 /nfs/dbraw/zinc/97/77/47/515977747.db2.gz YCJZFNHXFFHHKD-PKOBYXMFSA-N 1 2 369.465 2.941 20 30 FFEDLO CCCc1csc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 ZINC000494845444 515981247 /nfs/dbraw/zinc/98/12/47/515981247.db2.gz HSEQUIGVRVSUGX-QGZVFWFLSA-N 1 2 354.479 2.858 20 30 FFEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc(C)c(C#N)cn1 ZINC000457581752 515989324 /nfs/dbraw/zinc/98/93/24/515989324.db2.gz QXLKBRXGAWAVJD-UHFFFAOYSA-N 1 2 350.422 2.655 20 30 FFEDLO CCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000478988913 516027110 /nfs/dbraw/zinc/02/71/10/516027110.db2.gz VUZXFDAQCHYLQA-MRXNPFEDSA-N 1 2 359.413 2.956 20 30 FFEDLO CCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000478988913 516027119 /nfs/dbraw/zinc/02/71/19/516027119.db2.gz VUZXFDAQCHYLQA-MRXNPFEDSA-N 1 2 359.413 2.956 20 30 FFEDLO C=C[C@@H]1CCCCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000495004911 516033704 /nfs/dbraw/zinc/03/37/04/516033704.db2.gz NEYAMJFRHIWFDJ-VQTJNVASSA-N 1 2 357.498 2.680 20 30 FFEDLO C=CCNC(=O)C[NH+]1CCN([C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000488047574 516095307 /nfs/dbraw/zinc/09/53/07/516095307.db2.gz WHDJDXYUNUYRBD-QGZVFWFLSA-N 1 2 368.308 2.901 20 30 FFEDLO C=CC[N@H+](CC(=O)NCCN1CCc2ccccc21)Cc1cccs1 ZINC000501466302 516113349 /nfs/dbraw/zinc/11/33/49/516113349.db2.gz IOMTWYBFGLPHRS-UHFFFAOYSA-N 1 2 355.507 2.915 20 30 FFEDLO C=CC[N@@H+](CC(=O)NCCN1CCc2ccccc21)Cc1cccs1 ZINC000501466302 516113354 /nfs/dbraw/zinc/11/33/54/516113354.db2.gz IOMTWYBFGLPHRS-UHFFFAOYSA-N 1 2 355.507 2.915 20 30 FFEDLO COC(=O)c1oc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1C ZINC000507183809 516116789 /nfs/dbraw/zinc/11/67/89/516116789.db2.gz ZSYCHPHYHJZCKL-UHFFFAOYSA-N 1 2 357.385 2.708 20 30 FFEDLO C[C@@H](C(=O)NCc1ccccc1F)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507291664 516159388 /nfs/dbraw/zinc/15/93/88/516159388.db2.gz IXCVNZULHJDDMG-INIZCTEOSA-N 1 2 366.440 2.524 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000507308144 516166903 /nfs/dbraw/zinc/16/69/03/516166903.db2.gz XJYYDAJCUYSOCD-UHFFFAOYSA-N 1 2 374.488 2.876 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000512226169 516202485 /nfs/dbraw/zinc/20/24/85/516202485.db2.gz HNVJNPHABRJYLA-UHFFFAOYSA-N 1 2 353.422 2.667 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000512226169 516202493 /nfs/dbraw/zinc/20/24/93/516202493.db2.gz HNVJNPHABRJYLA-UHFFFAOYSA-N 1 2 353.422 2.667 20 30 FFEDLO Cc1[nH]nc2ncc(C[NH+]3CCN(c4ccc(C#N)cc4F)CC3)cc12 ZINC000512237014 516205438 /nfs/dbraw/zinc/20/54/38/516205438.db2.gz LNHYNSCHBXNXJG-UHFFFAOYSA-N 1 2 350.401 2.599 20 30 FFEDLO C=CCn1cccc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000488489400 516239919 /nfs/dbraw/zinc/23/99/19/516239919.db2.gz PUZDAOPGKLVQOD-IYBDPMFKSA-N 1 2 354.454 2.613 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000502030091 516288774 /nfs/dbraw/zinc/28/87/74/516288774.db2.gz ZKGHNJLVVRUFDL-HRAATJIYSA-N 1 2 365.481 2.673 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000502030091 516288779 /nfs/dbraw/zinc/28/87/79/516288779.db2.gz ZKGHNJLVVRUFDL-HRAATJIYSA-N 1 2 365.481 2.673 20 30 FFEDLO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000523008875 516373360 /nfs/dbraw/zinc/37/33/60/516373360.db2.gz FBUOILHHXPCKFF-SFHVURJKSA-N 1 2 363.461 2.978 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)C[C@@H](c2ccsc2)O1 ZINC000528401872 516411203 /nfs/dbraw/zinc/41/12/03/516411203.db2.gz DGORJHPRDHDIRO-LJHODMEESA-N 1 2 358.463 2.821 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@@H](c2ccsc2)O1 ZINC000528401872 516411206 /nfs/dbraw/zinc/41/12/06/516411206.db2.gz DGORJHPRDHDIRO-LJHODMEESA-N 1 2 358.463 2.821 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)C[C@H](c2ccsc2)O1 ZINC000528401870 516411273 /nfs/dbraw/zinc/41/12/73/516411273.db2.gz DGORJHPRDHDIRO-DKSSEZFCSA-N 1 2 358.463 2.821 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@H](c2ccsc2)O1 ZINC000528401870 516411283 /nfs/dbraw/zinc/41/12/83/516411283.db2.gz DGORJHPRDHDIRO-DKSSEZFCSA-N 1 2 358.463 2.821 20 30 FFEDLO C[NH+](C)[C@@H](CNC(=O)Cc1c(F)cccc1C#N)c1c(F)cccc1F ZINC000512939811 516419675 /nfs/dbraw/zinc/41/96/75/516419675.db2.gz IGLRUCINKZAEIN-KRWDZBQOSA-N 1 2 361.367 2.937 20 30 FFEDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000528483513 516471117 /nfs/dbraw/zinc/47/11/17/516471117.db2.gz AXQQUQGTIDEXHU-MSOLQXFVSA-N 1 2 354.454 2.742 20 30 FFEDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000528483513 516471124 /nfs/dbraw/zinc/47/11/24/516471124.db2.gz AXQQUQGTIDEXHU-MSOLQXFVSA-N 1 2 354.454 2.742 20 30 FFEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000523532208 516498042 /nfs/dbraw/zinc/49/80/42/516498042.db2.gz XVOUZWZVGGHTIB-CYBMUJFWSA-N 1 2 372.387 2.721 20 30 FFEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000523532208 516498053 /nfs/dbraw/zinc/49/80/53/516498053.db2.gz XVOUZWZVGGHTIB-CYBMUJFWSA-N 1 2 372.387 2.721 20 30 FFEDLO N#CC1(NC(=O)COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCC1 ZINC000550989351 516512903 /nfs/dbraw/zinc/51/29/03/516512903.db2.gz MJHOYXQXBVLIHL-UHFFFAOYSA-N 1 2 350.422 2.828 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000554565397 516513069 /nfs/dbraw/zinc/51/30/69/516513069.db2.gz WODPCDMDOPCJSE-UHFFFAOYSA-N 1 2 362.393 2.923 20 30 FFEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000528540269 516514058 /nfs/dbraw/zinc/51/40/58/516514058.db2.gz YBDLKOLNRQKNAU-VMRPVKRXSA-N 1 2 370.424 2.899 20 30 FFEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000528540269 516514065 /nfs/dbraw/zinc/51/40/65/516514065.db2.gz YBDLKOLNRQKNAU-VMRPVKRXSA-N 1 2 370.424 2.899 20 30 FFEDLO C=CCn1c(CC2CCCC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000554610022 516541280 /nfs/dbraw/zinc/54/12/80/516541280.db2.gz MFJGTXUAOXPGKQ-UHFFFAOYSA-N 1 2 367.501 2.622 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000561384297 516556028 /nfs/dbraw/zinc/55/60/28/516556028.db2.gz YNRXZXSDXRRTPF-SFHVURJKSA-N 1 2 356.389 2.519 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCN(c3ccccc3F)CC2)cc1 ZINC000513374769 516594189 /nfs/dbraw/zinc/59/41/89/516594189.db2.gz DJIRDUSHFJYSIL-UHFFFAOYSA-N 1 2 352.413 2.848 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCN(c3ccccc3F)CC2)cc1 ZINC000513374769 516594195 /nfs/dbraw/zinc/59/41/95/516594195.db2.gz DJIRDUSHFJYSIL-UHFFFAOYSA-N 1 2 352.413 2.848 20 30 FFEDLO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000558166154 516625963 /nfs/dbraw/zinc/62/59/63/516625963.db2.gz XMJFPUXMZDIUOL-KBXCAEBGSA-N 1 2 373.453 2.949 20 30 FFEDLO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000558166154 516625969 /nfs/dbraw/zinc/62/59/69/516625969.db2.gz XMJFPUXMZDIUOL-KBXCAEBGSA-N 1 2 373.453 2.949 20 30 FFEDLO N#CCCCS(=O)(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000518453663 516667245 /nfs/dbraw/zinc/66/72/45/516667245.db2.gz NJPVORSILGZYJE-HNNXBMFYSA-N 1 2 373.881 2.839 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(Br)c1 ZINC000528785068 516697082 /nfs/dbraw/zinc/69/70/82/516697082.db2.gz RENNXSDBMQGTJN-CKNLXJGOSA-N 1 2 353.285 2.806 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(Br)c1 ZINC000528785068 516697087 /nfs/dbraw/zinc/69/70/87/516697087.db2.gz RENNXSDBMQGTJN-CKNLXJGOSA-N 1 2 353.285 2.806 20 30 FFEDLO N#Cc1cc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)ccc1F ZINC000548079631 516749344 /nfs/dbraw/zinc/74/93/44/516749344.db2.gz XDVIGHUIFVCHSV-UHFFFAOYSA-N 1 2 353.397 2.534 20 30 FFEDLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@H](c2ccco2)C1 ZINC000561780026 516770359 /nfs/dbraw/zinc/77/03/59/516770359.db2.gz YEMHNDPWCJXOQX-ZBFHGGJFSA-N 1 2 359.451 2.793 20 30 FFEDLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@H](c2ccco2)C1 ZINC000561780026 516770368 /nfs/dbraw/zinc/77/03/68/516770368.db2.gz YEMHNDPWCJXOQX-ZBFHGGJFSA-N 1 2 359.451 2.793 20 30 FFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000558572469 516815862 /nfs/dbraw/zinc/81/58/62/516815862.db2.gz ZWWLOSPCMBHGNT-CZUORRHYSA-N 1 2 353.388 2.872 20 30 FFEDLO COC(=O)[C@H](NCc1c[nH+]c2ccc(C#N)cn12)c1ccc(F)c(C)c1 ZINC000551802722 516878396 /nfs/dbraw/zinc/87/83/96/516878396.db2.gz OZLGTVZDDJTUNK-GOSISDBHSA-N 1 2 352.369 2.657 20 30 FFEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCn3c[nH+]cc3C2)cc1C ZINC000562251848 516985819 /nfs/dbraw/zinc/98/58/19/516985819.db2.gz XAYQHWUSMBRXSI-UHFFFAOYSA-N 1 2 374.448 2.933 20 30 FFEDLO N#Cc1cccc(C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)c1F ZINC000537046737 517018449 /nfs/dbraw/zinc/01/84/49/517018449.db2.gz DBDXMRDACBTBMH-UHFFFAOYSA-N 1 2 364.424 2.937 20 30 FFEDLO N#Cc1cccc(C[N@@H+](CCO)Cc2cnn(Cc3ccccc3)c2)c1F ZINC000537046737 517018461 /nfs/dbraw/zinc/01/84/61/517018461.db2.gz DBDXMRDACBTBMH-UHFFFAOYSA-N 1 2 364.424 2.937 20 30 FFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000514725995 517026520 /nfs/dbraw/zinc/02/65/20/517026520.db2.gz VWZFHEMWKBCYSW-JZRYZNKLSA-N 1 2 365.543 2.514 20 30 FFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000514725995 517026528 /nfs/dbraw/zinc/02/65/28/517026528.db2.gz VWZFHEMWKBCYSW-JZRYZNKLSA-N 1 2 365.543 2.514 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1C#N ZINC000562387626 517072984 /nfs/dbraw/zinc/07/29/84/517072984.db2.gz XDVNVRXJDLBERM-AUSJPIAWSA-N 1 2 358.438 2.503 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1C#N ZINC000562387626 517072997 /nfs/dbraw/zinc/07/29/97/517072997.db2.gz XDVNVRXJDLBERM-AUSJPIAWSA-N 1 2 358.438 2.503 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000532643492 517078401 /nfs/dbraw/zinc/07/84/01/517078401.db2.gz KLRKVRWUNKIWMD-IBGZPJMESA-N 1 2 357.417 2.750 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000532643492 517078411 /nfs/dbraw/zinc/07/84/11/517078411.db2.gz KLRKVRWUNKIWMD-IBGZPJMESA-N 1 2 357.417 2.750 20 30 FFEDLO C[C@@H](CCCc1ccccc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000537193037 517079902 /nfs/dbraw/zinc/07/99/02/517079902.db2.gz NKNRGHLKROLMSB-IBGZPJMESA-N 1 2 357.498 2.720 20 30 FFEDLO N#Cc1ccc(CC(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)cn1 ZINC000529399417 517125288 /nfs/dbraw/zinc/12/52/88/517125288.db2.gz PZDGYVPDSGWNMY-UHFFFAOYSA-N 1 2 359.433 2.853 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000519820691 517202407 /nfs/dbraw/zinc/20/24/07/517202407.db2.gz BASQEOUPWYZUOS-UHFFFAOYSA-N 1 2 356.426 2.809 20 30 FFEDLO CN1CC[NH+](Cc2cccc(NC(=O)C3(c4cccc(C#N)c4)CC3)c2)CC1 ZINC000532944197 517214727 /nfs/dbraw/zinc/21/47/27/517214727.db2.gz HYKGGNLPLJLTTI-UHFFFAOYSA-N 1 2 374.488 2.976 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)NCCCc2ccccc2)CC1 ZINC000548798868 517221620 /nfs/dbraw/zinc/22/16/20/517221620.db2.gz MABTUJYCAFCKNN-UHFFFAOYSA-N 1 2 362.477 2.688 20 30 FFEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)[nH]1 ZINC000537562559 517232768 /nfs/dbraw/zinc/23/27/68/517232768.db2.gz YSHQYEKHEJIBCJ-GLEGPSONSA-N 1 2 372.517 2.612 20 30 FFEDLO Cc1nnc([C@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)[nH]1 ZINC000537562559 517232776 /nfs/dbraw/zinc/23/27/76/517232776.db2.gz YSHQYEKHEJIBCJ-GLEGPSONSA-N 1 2 372.517 2.612 20 30 FFEDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n1 ZINC000537562559 517232784 /nfs/dbraw/zinc/23/27/84/517232784.db2.gz YSHQYEKHEJIBCJ-GLEGPSONSA-N 1 2 372.517 2.612 20 30 FFEDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n1 ZINC000537562559 517232792 /nfs/dbraw/zinc/23/27/92/517232792.db2.gz YSHQYEKHEJIBCJ-GLEGPSONSA-N 1 2 372.517 2.612 20 30 FFEDLO Cc1nc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n[nH]1 ZINC000537562559 517232801 /nfs/dbraw/zinc/23/28/01/517232801.db2.gz YSHQYEKHEJIBCJ-GLEGPSONSA-N 1 2 372.517 2.612 20 30 FFEDLO Cc1nc([C@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n[nH]1 ZINC000537562559 517232813 /nfs/dbraw/zinc/23/28/13/517232813.db2.gz YSHQYEKHEJIBCJ-GLEGPSONSA-N 1 2 372.517 2.612 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@@]3(C#N)CC34CCCC4)c[nH+]2)C[C@@H](C)O1 ZINC000562632698 517254653 /nfs/dbraw/zinc/25/46/53/517254653.db2.gz KICNVIKRBHXJPM-ZOCZFRKYSA-N 1 2 368.481 2.785 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000520172903 517288957 /nfs/dbraw/zinc/28/89/57/517288957.db2.gz PTRULAMHOCKASR-GOSISDBHSA-N 1 2 369.490 2.917 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000520172903 517288963 /nfs/dbraw/zinc/28/89/63/517288963.db2.gz PTRULAMHOCKASR-GOSISDBHSA-N 1 2 369.490 2.917 20 30 FFEDLO N#Cc1cccc(C2(c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)CC2)c1 ZINC000520331293 517347422 /nfs/dbraw/zinc/34/74/22/517347422.db2.gz UFBYDJNGJPCWAQ-IAGOWNOFSA-N 1 2 350.422 2.947 20 30 FFEDLO N#Cc1cccc(C2(c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)CC2)c1 ZINC000520331293 517347434 /nfs/dbraw/zinc/34/74/34/517347434.db2.gz UFBYDJNGJPCWAQ-IAGOWNOFSA-N 1 2 350.422 2.947 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c(F)c1 ZINC000545917867 517433229 /nfs/dbraw/zinc/43/32/29/517433229.db2.gz GXAXCHSUMYHCDI-UHFFFAOYSA-N 1 2 356.382 2.566 20 30 FFEDLO CCOC(=O)C1([NH2+]CCOc2ccccc2C#N)Cc2ccccc2C1 ZINC000533378310 517433991 /nfs/dbraw/zinc/43/39/91/517433991.db2.gz GOWMPPRGTFFJID-UHFFFAOYSA-N 1 2 350.418 2.627 20 30 FFEDLO CCc1cc(N)nc(S[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[nH+]1 ZINC000560025610 517540492 /nfs/dbraw/zinc/54/04/92/517540492.db2.gz RECKPCISUWQAJQ-HNNXBMFYSA-N 1 2 353.451 2.611 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000527190827 517549501 /nfs/dbraw/zinc/54/95/01/517549501.db2.gz UAHLJTOADJQHBJ-OPYAIIAOSA-N 1 2 368.525 2.932 20 30 FFEDLO N#CCC[C@H](C#N)C[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000562986680 517559462 /nfs/dbraw/zinc/55/94/62/517559462.db2.gz QXOWQBIUZWRKIU-SECBINFHSA-N 1 2 356.739 2.935 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3nnc(C4CCOCC4)s3)CC2)cc1 ZINC000549463190 517576460 /nfs/dbraw/zinc/57/64/60/517576460.db2.gz PODJLGMJAXTENV-UHFFFAOYSA-N 1 2 369.494 2.626 20 30 FFEDLO COC(=O)c1cccc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c1C#N ZINC000542540665 517619124 /nfs/dbraw/zinc/61/91/24/517619124.db2.gz JAEIJMZYYBYLPU-BVZFJXPGSA-N 1 2 356.447 2.554 20 30 FFEDLO C=CC[C@H](CC)NC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000538502096 517644528 /nfs/dbraw/zinc/64/45/28/517644528.db2.gz VWMXHVSNVODMPO-JKSUJKDBSA-N 1 2 350.532 2.691 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2csc3cc(C)ccc32)c1C#N ZINC000530372221 517733884 /nfs/dbraw/zinc/73/38/84/517733884.db2.gz VMYDNIDYJGVVEN-UHFFFAOYSA-N 1 2 353.451 2.631 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(CC#N)CC3)c[nH+]2)C[C@@H](C)O1 ZINC000542852259 517780108 /nfs/dbraw/zinc/78/01/08/517780108.db2.gz WYNIQNIMVJVIGW-HZPDHXFCSA-N 1 2 371.485 2.530 20 30 FFEDLO C=CCC(C)(C)C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000550028476 517830460 /nfs/dbraw/zinc/83/04/60/517830460.db2.gz RIIONQXZPZMPGC-UHFFFAOYSA-N 1 2 356.470 2.978 20 30 FFEDLO Cc1cccc([C@@H](CNC(=O)Cc2cccc(C#N)c2)[NH+]2CCOCC2)c1 ZINC000530670314 517913536 /nfs/dbraw/zinc/91/35/36/517913536.db2.gz STLKRONPSUKTEX-OAQYLSRUSA-N 1 2 363.461 2.599 20 30 FFEDLO COc1ccc(C[NH+]2CCN(C(=O)Cc3cccc(C#N)c3)CC2)cc1F ZINC000530670556 517913967 /nfs/dbraw/zinc/91/39/67/517913967.db2.gz UEWFGRRTUOLGRT-UHFFFAOYSA-N 1 2 367.424 2.593 20 30 FFEDLO COc1cc2c(cc1C[NH+]1CCN(c3ccccc3C#N)CC1)OCO2 ZINC000546962515 517936053 /nfs/dbraw/zinc/93/60/53/517936053.db2.gz ROAWRGXIILQFPB-UHFFFAOYSA-N 1 2 351.406 2.618 20 30 FFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000539179211 517942218 /nfs/dbraw/zinc/94/22/18/517942218.db2.gz UPYJNTCJOOBOQS-UHFFFAOYSA-N 1 2 373.416 2.668 20 30 FFEDLO C=CC[C@H](CO)CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000539309031 517986066 /nfs/dbraw/zinc/98/60/66/517986066.db2.gz USLQFEJSCXAPHD-BBWFWOEESA-N 1 2 361.486 2.602 20 30 FFEDLO C=CC[C@H](CO)CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000539309031 517986076 /nfs/dbraw/zinc/98/60/76/517986076.db2.gz USLQFEJSCXAPHD-BBWFWOEESA-N 1 2 361.486 2.602 20 30 FFEDLO CC(C)(C)C(=O)N1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000517240047 518086003 /nfs/dbraw/zinc/08/60/03/518086003.db2.gz YUHUGSQTWOWZNU-UHFFFAOYSA-N 1 2 358.442 2.935 20 30 FFEDLO CC(C)(C)C(=O)N1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000517240047 518086008 /nfs/dbraw/zinc/08/60/08/518086008.db2.gz YUHUGSQTWOWZNU-UHFFFAOYSA-N 1 2 358.442 2.935 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000554209865 518106617 /nfs/dbraw/zinc/10/66/17/518106617.db2.gz LSNGMWJICKLZJF-LBPRGKRZSA-N 1 2 350.260 2.798 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000554209865 518106624 /nfs/dbraw/zinc/10/66/24/518106624.db2.gz LSNGMWJICKLZJF-LBPRGKRZSA-N 1 2 350.260 2.798 20 30 FFEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc(C(F)(F)F)cc1C#N ZINC000528128850 518109057 /nfs/dbraw/zinc/10/90/57/518109057.db2.gz FHXCQPNSCRNTGU-KRWDZBQOSA-N 1 2 369.387 2.605 20 30 FFEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc(C(F)(F)F)cc1C#N ZINC000528128850 518109063 /nfs/dbraw/zinc/10/90/63/518109063.db2.gz FHXCQPNSCRNTGU-KRWDZBQOSA-N 1 2 369.387 2.605 20 30 FFEDLO Cc1noc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)n1 ZINC000543510032 518123110 /nfs/dbraw/zinc/12/31/10/518123110.db2.gz SYXKVQMQTDTOHA-LBPRGKRZSA-N 1 2 361.833 2.937 20 30 FFEDLO C=CCN1CC[C@H](N(C)C(=O)CCn2c3ccccc3[nH+]c2C2CC2)C1=O ZINC000547400545 518123251 /nfs/dbraw/zinc/12/32/51/518123251.db2.gz UVHBUNNGZUCAEX-SFHVURJKSA-N 1 2 366.465 2.549 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000543548518 518133992 /nfs/dbraw/zinc/13/39/92/518133992.db2.gz UQPQBYWRQRIRRB-JMERFSKESA-N 1 2 373.432 2.969 20 30 FFEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000539809706 518165403 /nfs/dbraw/zinc/16/54/03/518165403.db2.gz SNLFSKBWRXBIQT-MGPUTAFESA-N 1 2 365.481 2.963 20 30 FFEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000539809706 518165406 /nfs/dbraw/zinc/16/54/06/518165406.db2.gz SNLFSKBWRXBIQT-MGPUTAFESA-N 1 2 365.481 2.963 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(Oc4ccccc4)CC3)CC2)cc1 ZINC000575859231 518314472 /nfs/dbraw/zinc/31/44/72/518314472.db2.gz LDPIDSCNYQWBHG-UHFFFAOYSA-N 1 2 361.445 2.814 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)c(F)c1 ZINC000578732725 518347985 /nfs/dbraw/zinc/34/79/85/518347985.db2.gz HVSZTGKUPBYWNX-DAYGRLMNSA-N 1 2 365.424 2.744 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)c(F)c1 ZINC000578732725 518347992 /nfs/dbraw/zinc/34/79/92/518347992.db2.gz HVSZTGKUPBYWNX-DAYGRLMNSA-N 1 2 365.424 2.744 20 30 FFEDLO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000572769311 518352385 /nfs/dbraw/zinc/35/23/85/518352385.db2.gz WMHHROKVKRPNRV-BDJLRTHQSA-N 1 2 370.266 2.727 20 30 FFEDLO C[C@@H]1C[C@@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c2[nH+]ccn21 ZINC000581591837 518361190 /nfs/dbraw/zinc/36/11/90/518361190.db2.gz GDKHPJJKQKQBOD-CXAGYDPISA-N 1 2 367.428 2.932 20 30 FFEDLO N#CCCS(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000564245807 518368346 /nfs/dbraw/zinc/36/83/46/518368346.db2.gz ZJXCVRIGNAZKIV-UHFFFAOYSA-N 1 2 369.490 2.637 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2csc(C3CCCCC3)n2)c1C#N ZINC000567136698 518370221 /nfs/dbraw/zinc/37/02/21/518370221.db2.gz OXUIUSUUVCUQON-UHFFFAOYSA-N 1 2 372.498 2.612 20 30 FFEDLO N#Cc1cncc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000564385062 518425707 /nfs/dbraw/zinc/42/57/07/518425707.db2.gz GXFDZINIWPGFFV-UHFFFAOYSA-N 1 2 359.798 2.593 20 30 FFEDLO N#Cc1cc(Oc2ccc(NC(=O)N3CCn4c[nH+]cc4C3)cc2)ccn1 ZINC000573024181 518469938 /nfs/dbraw/zinc/46/99/38/518469938.db2.gz UVIVPGULZGEUCO-UHFFFAOYSA-N 1 2 360.377 2.990 20 30 FFEDLO C[C@@](C#N)(NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000564518668 518482777 /nfs/dbraw/zinc/48/27/77/518482777.db2.gz ZAGCSRADZPGOCV-CTNGQTDRSA-N 1 2 355.482 2.866 20 30 FFEDLO C[C@@](C#N)(NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000564518668 518482781 /nfs/dbraw/zinc/48/27/81/518482781.db2.gz ZAGCSRADZPGOCV-CTNGQTDRSA-N 1 2 355.482 2.866 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CCc4c[nH+]cn4C3)cc2)nc1 ZINC000587036197 518675448 /nfs/dbraw/zinc/67/54/48/518675448.db2.gz NUZZENSQBGNUHB-INIZCTEOSA-N 1 2 359.389 2.687 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1)c1ccccc1 ZINC000573471725 518681042 /nfs/dbraw/zinc/68/10/42/518681042.db2.gz IZUDXPCFQNYKFK-FUHWJXTLSA-N 1 2 353.466 2.517 20 30 FFEDLO Cn1cc[nH+]c1[C@H](CC(=O)NCCOc1ccc(C#N)cc1)C(F)(F)F ZINC000565191975 518835392 /nfs/dbraw/zinc/83/53/92/518835392.db2.gz YEHUBWMUZXRMPZ-AWEZNQCLSA-N 1 2 366.343 2.523 20 30 FFEDLO CC[NH+](CC)Cc1nc(C2(NCc3nc(C#N)cs3)CCCC2)no1 ZINC000576987907 518861933 /nfs/dbraw/zinc/86/19/33/518861933.db2.gz RWIAGXAMQSGLJY-UHFFFAOYSA-N 1 2 360.487 2.799 20 30 FFEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1S(=O)(=O)CC1(CC#N)CC1 ZINC000565345346 518907784 /nfs/dbraw/zinc/90/77/84/518907784.db2.gz JDKAAPVWOGCRAA-MRXNPFEDSA-N 1 2 372.494 2.833 20 30 FFEDLO N#Cc1cccc(-n2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000577215364 518970250 /nfs/dbraw/zinc/97/02/50/518970250.db2.gz YXJUWGAOHDJRBV-UHFFFAOYSA-N 1 2 371.444 2.702 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CCCC1(C)C ZINC000582918710 518987355 /nfs/dbraw/zinc/98/73/55/518987355.db2.gz GRRNVJRZRNVTNE-KRWDZBQOSA-N 1 2 368.481 2.586 20 30 FFEDLO Cc1cc(Br)cn2cc(CNC(=O)c3cccc(C#N)n3)[nH+]c12 ZINC000589487835 519016611 /nfs/dbraw/zinc/01/66/11/519016611.db2.gz PMWLDAHBXXIZKQ-UHFFFAOYSA-N 1 2 370.210 2.602 20 30 FFEDLO FC(F)(F)Oc1ccc(C#CCN2CCC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000580325559 519119529 /nfs/dbraw/zinc/11/95/29/519119529.db2.gz REGDQCKXUVZHQO-KRWDZBQOSA-N 1 2 368.399 2.733 20 30 FFEDLO COc1cc(Cl)c(Br)cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000580333789 519123281 /nfs/dbraw/zinc/12/32/81/519123281.db2.gz ZTHAAZGGNRVUSC-CQSZACIVSA-N 1 2 374.666 2.685 20 30 FFEDLO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000583286502 519168866 /nfs/dbraw/zinc/16/88/66/519168866.db2.gz RVJRLMDNJRJCTI-UHFFFAOYSA-N 1 2 359.376 2.924 20 30 FFEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000583286502 519168876 /nfs/dbraw/zinc/16/88/76/519168876.db2.gz RVJRLMDNJRJCTI-UHFFFAOYSA-N 1 2 359.376 2.924 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000583355951 519202424 /nfs/dbraw/zinc/20/24/24/519202424.db2.gz QQIKLISQRKTXLX-PXAZEXFGSA-N 1 2 369.387 2.911 20 30 FFEDLO Cc1cc(C#N)nc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)n1 ZINC000577944660 519334423 /nfs/dbraw/zinc/33/44/23/519334423.db2.gz ZDWPNBLYVGIVCW-UHFFFAOYSA-N 1 2 372.270 2.741 20 30 FFEDLO C=CCC1(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCCCC1 ZINC000574999278 519443986 /nfs/dbraw/zinc/44/39/86/519443986.db2.gz QZPSINIQOLQZRM-UHFFFAOYSA-N 1 2 370.497 2.934 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CN(Cc1ccco1)c1cccc(Cl)c1 ZINC000578327148 519536317 /nfs/dbraw/zinc/53/63/17/519536317.db2.gz RVAORELRCJCPFZ-IBGZPJMESA-N 1 2 374.872 2.900 20 30 FFEDLO Cc1cc(N2CCN(C(=O)Nc3cccc(C#N)n3)CC2)nc(C(C)C)[nH+]1 ZINC000583993105 519537718 /nfs/dbraw/zinc/53/77/18/519537718.db2.gz XSCCWAKVCRPKCB-UHFFFAOYSA-N 1 2 365.441 2.529 20 30 FFEDLO N#Cc1cc(Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)ncn1 ZINC000569428048 519542301 /nfs/dbraw/zinc/54/23/01/519542301.db2.gz WWWDZCQFJKFZLV-UHFFFAOYSA-N 1 2 363.450 2.676 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2Cl)CCN1C ZINC000578434125 519590582 /nfs/dbraw/zinc/59/05/82/519590582.db2.gz HFNWIYUNTLCMJF-INIZCTEOSA-N 1 2 372.860 2.660 20 30 FFEDLO CN1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C(C)(C)C ZINC000602874734 519941340 /nfs/dbraw/zinc/94/13/40/519941340.db2.gz SQTQVFXKHIVXOE-OALUTQOASA-N 1 2 354.498 2.716 20 30 FFEDLO CN1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C(C)(C)C ZINC000602874734 519941344 /nfs/dbraw/zinc/94/13/44/519941344.db2.gz SQTQVFXKHIVXOE-OALUTQOASA-N 1 2 354.498 2.716 20 30 FFEDLO Cn1cc[nH+]c1C[C@H](NC(=O)CC1(C#N)CCOCC1)c1ccccc1 ZINC000597309303 519947748 /nfs/dbraw/zinc/94/77/48/519947748.db2.gz DUDLBFSMRJIXMA-KRWDZBQOSA-N 1 2 352.438 2.531 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1ccns1 ZINC000602883552 519949194 /nfs/dbraw/zinc/94/91/94/519949194.db2.gz NXLMAZPKXFZEMG-CQSZACIVSA-N 1 2 358.467 2.919 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1ccns1 ZINC000602883552 519949196 /nfs/dbraw/zinc/94/91/96/519949196.db2.gz NXLMAZPKXFZEMG-CQSZACIVSA-N 1 2 358.467 2.919 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980187 520004892 /nfs/dbraw/zinc/00/48/92/520004892.db2.gz MTJVITNDPNKPEC-PXNSSMCTSA-N 1 2 365.481 2.729 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980187 520004900 /nfs/dbraw/zinc/00/49/00/520004900.db2.gz MTJVITNDPNKPEC-PXNSSMCTSA-N 1 2 365.481 2.729 20 30 FFEDLO Cc1c[nH+]c2cc(C(=O)N3CC[C@H](N(C)c4cccc(C#N)c4)C3)ccn12 ZINC000603151010 520112177 /nfs/dbraw/zinc/11/21/77/520112177.db2.gz MJDQDOBKFUCIAP-IBGZPJMESA-N 1 2 359.433 2.865 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000608800612 520131497 /nfs/dbraw/zinc/13/14/97/520131497.db2.gz SNVLAPGKBITYKG-PMACEKPBSA-N 1 2 371.460 2.635 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000608800612 520131504 /nfs/dbraw/zinc/13/15/04/520131504.db2.gz SNVLAPGKBITYKG-PMACEKPBSA-N 1 2 371.460 2.635 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCc4[nH+]c[nH]c4C3)CC2)c(F)c1 ZINC000597645088 520154281 /nfs/dbraw/zinc/15/42/81/520154281.db2.gz RGEJGFFACWPADQ-CQSZACIVSA-N 1 2 368.412 2.595 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCc4[nH]c[nH+]c4C3)CC2)c(F)c1 ZINC000597645088 520154286 /nfs/dbraw/zinc/15/42/86/520154286.db2.gz RGEJGFFACWPADQ-CQSZACIVSA-N 1 2 368.412 2.595 20 30 FFEDLO CCC[C@@H]1CN(Cc2ccncc2C#N)CC[N@@H+]1Cc1ccncc1C#N ZINC000592081649 520170151 /nfs/dbraw/zinc/17/01/51/520170151.db2.gz BOWXROJDPKBQAM-OAQYLSRUSA-N 1 2 360.465 2.706 20 30 FFEDLO CCC[C@@H]1CN(Cc2ccncc2C#N)CC[N@H+]1Cc1ccncc1C#N ZINC000592081649 520170157 /nfs/dbraw/zinc/17/01/57/520170157.db2.gz BOWXROJDPKBQAM-OAQYLSRUSA-N 1 2 360.465 2.706 20 30 FFEDLO Cc1cc2[nH+]cn(Cc3cn(C[C@@H](O)CC(C)(C)C#N)nn3)c2cc1C ZINC000603267680 520188356 /nfs/dbraw/zinc/18/83/56/520188356.db2.gz QFXADGIPHKZZEC-INIZCTEOSA-N 1 2 352.442 2.594 20 30 FFEDLO COCCOCc1cc(C#N)ccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000603362211 520232349 /nfs/dbraw/zinc/23/23/49/520232349.db2.gz CQBLCTJJCNFSOT-LJQANCHMSA-N 1 2 353.422 2.774 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)C(C)(C)CO ZINC000597847775 520277414 /nfs/dbraw/zinc/27/74/14/520277414.db2.gz RSIRXYOJIOSWLR-AEFFLSMTSA-N 1 2 354.454 2.683 20 30 FFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000617043701 520297895 /nfs/dbraw/zinc/29/78/95/520297895.db2.gz DCWVJWGDQHXTDZ-NXHRZFHOSA-N 1 2 360.502 2.734 20 30 FFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000617043701 520297896 /nfs/dbraw/zinc/29/78/96/520297896.db2.gz DCWVJWGDQHXTDZ-NXHRZFHOSA-N 1 2 360.502 2.734 20 30 FFEDLO N#CC1(CS(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCCCC1 ZINC000613076163 520302929 /nfs/dbraw/zinc/30/29/29/520302929.db2.gz GGUDSXIWSXIHGE-UHFFFAOYSA-N 1 2 362.499 2.575 20 30 FFEDLO CSc1nc(C2CC2)cc(C(=O)NCCCCn2cc[nH+]c2)c1C#N ZINC000609583215 520365611 /nfs/dbraw/zinc/36/56/11/520365611.db2.gz IVZZNWCNAQEWKC-UHFFFAOYSA-N 1 2 355.467 2.959 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000609672542 520401417 /nfs/dbraw/zinc/40/14/17/520401417.db2.gz MIOAXTZQUMEVBH-IBGZPJMESA-N 1 2 351.475 2.965 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000609672542 520401426 /nfs/dbraw/zinc/40/14/26/520401426.db2.gz MIOAXTZQUMEVBH-IBGZPJMESA-N 1 2 351.475 2.965 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000609676215 520404130 /nfs/dbraw/zinc/40/41/30/520404130.db2.gz RROBTFHLCKZHPR-UHFFFAOYSA-N 1 2 352.419 2.531 20 30 FFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCOCc2ccccc2)CC1 ZINC000595357508 520427362 /nfs/dbraw/zinc/42/73/62/520427362.db2.gz OEZJUUBIAYDKGX-UHFFFAOYSA-N 1 2 352.438 2.762 20 30 FFEDLO C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000595514197 520521186 /nfs/dbraw/zinc/52/11/86/520521186.db2.gz BPXVSSOFSFEXFR-ZDUSSCGKSA-N 1 2 372.860 2.865 20 30 FFEDLO C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000595514197 520521193 /nfs/dbraw/zinc/52/11/93/520521193.db2.gz BPXVSSOFSFEXFR-ZDUSSCGKSA-N 1 2 372.860 2.865 20 30 FFEDLO Cc1nc(C#N)c(N2CCC(C(=O)Nc3c[nH+]c4c(C)cccn34)CC2)o1 ZINC000598264610 520526741 /nfs/dbraw/zinc/52/67/41/520526741.db2.gz ZKPRNOIFTRAABY-UHFFFAOYSA-N 1 2 364.409 2.666 20 30 FFEDLO CCOC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)[C@@H]1C ZINC000595559388 520553067 /nfs/dbraw/zinc/55/30/67/520553067.db2.gz OBOATOXKEVWKLJ-NJZAAPMLSA-N 1 2 361.442 2.759 20 30 FFEDLO CCOC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)[C@@H]1C ZINC000595559388 520553071 /nfs/dbraw/zinc/55/30/71/520553071.db2.gz OBOATOXKEVWKLJ-NJZAAPMLSA-N 1 2 361.442 2.759 20 30 FFEDLO N#CC[C@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000595613430 520594822 /nfs/dbraw/zinc/59/48/22/520594822.db2.gz CQBNBZQSFCUNQK-CYBMUJFWSA-N 1 2 371.300 2.848 20 30 FFEDLO N#CC[C@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000595613430 520594830 /nfs/dbraw/zinc/59/48/30/520594830.db2.gz CQBNBZQSFCUNQK-CYBMUJFWSA-N 1 2 371.300 2.848 20 30 FFEDLO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595617548 520596260 /nfs/dbraw/zinc/59/62/60/520596260.db2.gz WVNMWZHBZFEIPY-DZGCQCFKSA-N 1 2 358.442 2.606 20 30 FFEDLO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595617548 520596268 /nfs/dbraw/zinc/59/62/68/520596268.db2.gz WVNMWZHBZFEIPY-DZGCQCFKSA-N 1 2 358.442 2.606 20 30 FFEDLO CC(C)N(C(=O)C[NH+]1CCN(c2ccsc2C#N)CC1)C1CCCC1 ZINC000595631014 520607092 /nfs/dbraw/zinc/60/70/92/520607092.db2.gz PFQFTSGHRDYNSU-UHFFFAOYSA-N 1 2 360.527 2.921 20 30 FFEDLO N#Cc1sccc1N1CC[NH+]([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000595632478 520609064 /nfs/dbraw/zinc/60/90/64/520609064.db2.gz XWTMKCSZBDOLBX-IBGZPJMESA-N 1 2 366.490 2.762 20 30 FFEDLO CSCC1(CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000595750652 520698515 /nfs/dbraw/zinc/69/85/15/520698515.db2.gz RTLSKEDXSJFGAK-UHFFFAOYSA-N 1 2 372.538 2.919 20 30 FFEDLO CC[C@@]1(O)CCCN(c2cc(C)[nH+]c(N3CCC[C@](O)(CC)C3)c2C#N)C1 ZINC000601233677 520700418 /nfs/dbraw/zinc/70/04/18/520700418.db2.gz MSIPCFUKNKUSCG-NHCUHLMSSA-N 1 2 372.513 2.744 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2c2cccc(F)c2)cc1 ZINC000595758267 520704642 /nfs/dbraw/zinc/70/46/42/520704642.db2.gz HFEYCZDHOQDVJR-TZIWHRDSSA-N 1 2 370.424 2.705 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@@H]2c2cccc(F)c2)cc1 ZINC000595758267 520704644 /nfs/dbraw/zinc/70/46/44/520704644.db2.gz HFEYCZDHOQDVJR-TZIWHRDSSA-N 1 2 370.424 2.705 20 30 FFEDLO COC(=O)[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1cccc(C#N)c1 ZINC000595767291 520709112 /nfs/dbraw/zinc/70/91/12/520709112.db2.gz BHFRVDUYDQVHJR-BHIYHBOVSA-N 1 2 352.438 2.507 20 30 FFEDLO COCCN(CCC#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000610540730 520731580 /nfs/dbraw/zinc/73/15/80/520731580.db2.gz AXVINABMUHGEGX-CQSZACIVSA-N 1 2 365.503 2.769 20 30 FFEDLO COCCN(CCC#N)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000610540730 520731588 /nfs/dbraw/zinc/73/15/88/520731588.db2.gz AXVINABMUHGEGX-CQSZACIVSA-N 1 2 365.503 2.769 20 30 FFEDLO CCSC1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000595799839 520734071 /nfs/dbraw/zinc/73/40/71/520734071.db2.gz IHNMRXMDRMPLRA-UHFFFAOYSA-N 1 2 358.511 2.671 20 30 FFEDLO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1nnc2n1CCCCC2 ZINC000595803446 520736815 /nfs/dbraw/zinc/73/68/15/520736815.db2.gz LYLWEPUTCCXDSR-HOCLYGCPSA-N 1 2 366.469 2.944 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@H](Oc3ccccc3)C2)C1=O ZINC000595831427 520755640 /nfs/dbraw/zinc/75/56/40/520755640.db2.gz NMHGUAAGFHTXCQ-IAGOWNOFSA-N 1 2 353.447 2.878 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@H](Oc3ccccc3)C2)C1=O ZINC000595831427 520755643 /nfs/dbraw/zinc/75/56/43/520755643.db2.gz NMHGUAAGFHTXCQ-IAGOWNOFSA-N 1 2 353.447 2.878 20 30 FFEDLO C[C@@H](NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)c1[nH+]ccn1C ZINC000595845806 520761306 /nfs/dbraw/zinc/76/13/06/520761306.db2.gz RLVWWDRMAMEHKQ-CYBMUJFWSA-N 1 2 372.860 2.538 20 30 FFEDLO C[C@H](c1ccc(NC(=O)c2cc(O)cc(C#N)c2)cc1)[NH+]1CCOCC1 ZINC000614366596 520928298 /nfs/dbraw/zinc/92/82/98/520928298.db2.gz SSPPPSOLRYWSHS-CQSZACIVSA-N 1 2 351.406 2.909 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccccc1Br)Cc1ccnc(C#N)c1 ZINC000610991883 520933221 /nfs/dbraw/zinc/93/32/21/520933221.db2.gz SHHMLAJQAZCMDE-UHFFFAOYSA-N 1 2 359.227 2.786 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccnc(C#N)c1 ZINC000610991883 520933230 /nfs/dbraw/zinc/93/32/30/520933230.db2.gz SHHMLAJQAZCMDE-UHFFFAOYSA-N 1 2 359.227 2.786 20 30 FFEDLO CC[C@H](C#N)C(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000593477863 521019139 /nfs/dbraw/zinc/01/91/39/521019139.db2.gz KVVJWRRFZPTNCX-CQSZACIVSA-N 1 2 359.861 2.572 20 30 FFEDLO CC[C@H](C#N)C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000593477863 521019151 /nfs/dbraw/zinc/01/91/51/521019151.db2.gz KVVJWRRFZPTNCX-CQSZACIVSA-N 1 2 359.861 2.572 20 30 FFEDLO N#C[C@H]1CC[C@@H](NC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)C1 ZINC000599086353 521022400 /nfs/dbraw/zinc/02/24/00/521022400.db2.gz KLGQECUGNITMJL-DOTOQJQBSA-N 1 2 351.454 2.687 20 30 FFEDLO Cc1ccc(C#N)c(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)n1 ZINC000611227570 521047035 /nfs/dbraw/zinc/04/70/35/521047035.db2.gz UHILRHVPGBWGAN-SFHVURJKSA-N 1 2 356.857 2.771 20 30 FFEDLO CC(=O)Nc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000611259703 521064059 /nfs/dbraw/zinc/06/40/59/521064059.db2.gz BUJGRUMANMTTRW-UHFFFAOYSA-N 1 2 365.437 2.704 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c1C#N ZINC000611348538 521110962 /nfs/dbraw/zinc/11/09/62/521110962.db2.gz ZSHVAPFPDSBFQU-LJQANCHMSA-N 1 2 366.465 2.822 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(NC(=O)C3CC3)CC2)c1C#N ZINC000611346179 521111122 /nfs/dbraw/zinc/11/11/22/521111122.db2.gz SUBZLVBAHFJTIO-UHFFFAOYSA-N 1 2 363.465 2.543 20 30 FFEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000614773443 521133363 /nfs/dbraw/zinc/13/33/63/521133363.db2.gz KNTAPZINGOWFOH-AWEZNQCLSA-N 1 2 354.376 2.519 20 30 FFEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000614773443 521133369 /nfs/dbraw/zinc/13/33/69/521133369.db2.gz KNTAPZINGOWFOH-AWEZNQCLSA-N 1 2 354.376 2.519 20 30 FFEDLO Cn1ncc2c1CC(C)(C)C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C2 ZINC000596599153 521157075 /nfs/dbraw/zinc/15/70/75/521157075.db2.gz QKUDGOREPYSOIK-UHFFFAOYSA-N 1 2 365.481 2.751 20 30 FFEDLO Cn1ncc2c1CC(C)(C)C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C2 ZINC000596599153 521157080 /nfs/dbraw/zinc/15/70/80/521157080.db2.gz QKUDGOREPYSOIK-UHFFFAOYSA-N 1 2 365.481 2.751 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000599421791 521212617 /nfs/dbraw/zinc/21/26/17/521212617.db2.gz JOGXPFKZSULRIQ-ZDUSSCGKSA-N 1 2 355.467 2.658 20 30 FFEDLO CC[C@H]1CCCCN1C(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611550487 521213927 /nfs/dbraw/zinc/21/39/27/521213927.db2.gz FSGGHEMVDKPMIA-PMACEKPBSA-N 1 2 372.488 2.799 20 30 FFEDLO CCOC(=O)[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)C1CCCCCC1 ZINC000599454391 521237992 /nfs/dbraw/zinc/23/79/92/521237992.db2.gz MNIWVYXROVPOFX-QZTJIDSGSA-N 1 2 366.502 2.549 20 30 FFEDLO COc1ccc(Cl)c(-c2cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)on2)c1 ZINC000602335927 521287432 /nfs/dbraw/zinc/28/74/32/521287432.db2.gz VRJRTRCJMDGYAB-KRWDZBQOSA-N 1 2 362.817 2.577 20 30 FFEDLO COc1cc(OC)cc([C@H](NC(=O)CCCCC#N)c2[nH+]ccn2C)c1 ZINC000593953205 521310948 /nfs/dbraw/zinc/31/09/48/521310948.db2.gz ZZBOEJXHUZGWEE-SFHVURJKSA-N 1 2 356.426 2.727 20 30 FFEDLO N#Cc1ccc(CN(CC[NH+]2CCOCC2)c2ccccc2Cl)nc1 ZINC000599612435 521332095 /nfs/dbraw/zinc/33/20/95/521332095.db2.gz FSXQJLXVCBCTSR-UHFFFAOYSA-N 1 2 356.857 2.945 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC2(C#N)CCCCC2)CC1 ZINC000596867521 521340524 /nfs/dbraw/zinc/34/05/24/521340524.db2.gz WARXKFJMRPOILU-QGZVFWFLSA-N 1 2 355.486 2.944 20 30 FFEDLO C[C@@H](CCC#N)C[NH+]1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000602432830 521342438 /nfs/dbraw/zinc/34/24/38/521342438.db2.gz JCQKZAMECZNLEP-AWEZNQCLSA-N 1 2 355.891 2.586 20 30 FFEDLO Cc1cnc(OC2CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)nc1 ZINC000594021453 521356057 /nfs/dbraw/zinc/35/60/57/521356057.db2.gz WFRCRQJQSWKRLW-UHFFFAOYSA-N 1 2 353.382 2.608 20 30 FFEDLO Cc1noc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 ZINC000594052964 521374032 /nfs/dbraw/zinc/37/40/32/521374032.db2.gz KIVBHSPXIDICJH-UHFFFAOYSA-N 1 2 359.455 2.651 20 30 FFEDLO Cc1noc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 ZINC000594052964 521374038 /nfs/dbraw/zinc/37/40/38/521374038.db2.gz KIVBHSPXIDICJH-UHFFFAOYSA-N 1 2 359.455 2.651 20 30 FFEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000615438978 521404131 /nfs/dbraw/zinc/40/41/31/521404131.db2.gz MGBCILMLOHTXHB-UHFFFAOYSA-N 1 2 365.433 2.539 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[C@@](C)(C#N)C1)c1cccc(F)c1 ZINC000612359689 521592018 /nfs/dbraw/zinc/59/20/18/521592018.db2.gz VNOXGUSPLRQPIQ-LPHOPBHVSA-N 1 2 355.417 2.984 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1C#N ZINC000619516377 521605034 /nfs/dbraw/zinc/60/50/34/521605034.db2.gz MXSDHUVLWCDUGO-NRFANRHFSA-N 1 2 366.465 2.822 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1C#N ZINC000619516377 521605040 /nfs/dbraw/zinc/60/50/40/521605040.db2.gz MXSDHUVLWCDUGO-NRFANRHFSA-N 1 2 366.465 2.822 20 30 FFEDLO C=CCN1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)[nH+]c(C)n4C)cc2C1=O ZINC000608247265 521637554 /nfs/dbraw/zinc/63/75/54/521637554.db2.gz LAUIANZDMINZCP-UHFFFAOYSA-N 1 2 374.400 2.916 20 30 FFEDLO N#Cc1ccc(CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)cc1Cl ZINC000619747236 521852763 /nfs/dbraw/zinc/85/27/63/521852763.db2.gz NSBPUDWXFZUNTG-HNNXBMFYSA-N 1 2 357.845 2.965 20 30 FFEDLO N#Cc1ccc(CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)cc1Cl ZINC000619747236 521852770 /nfs/dbraw/zinc/85/27/70/521852770.db2.gz NSBPUDWXFZUNTG-HNNXBMFYSA-N 1 2 357.845 2.965 20 30 FFEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784819 521870684 /nfs/dbraw/zinc/87/06/84/521870684.db2.gz VJQIRWHSDWBBGW-QFBILLFUSA-N 1 2 374.916 2.923 20 30 FFEDLO C=CC[C@H]1CCN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000623515772 522083779 /nfs/dbraw/zinc/08/37/79/522083779.db2.gz OXMMAAMNXIGVRR-SFHVURJKSA-N 1 2 373.497 2.505 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000624164050 522516975 /nfs/dbraw/zinc/51/69/75/522516975.db2.gz VPCUJRXYMUOHPB-UXHICEINSA-N 1 2 368.481 2.729 20 30 FFEDLO C=CCC1(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCOCC1 ZINC000634304920 523323261 /nfs/dbraw/zinc/32/32/61/523323261.db2.gz ZXOOWDHCKKUWIY-UHFFFAOYSA-N 1 2 361.511 2.624 20 30 FFEDLO N#Cc1cnn2cc(C[N@H+]3CCC[C@@]4(CC(=O)c5ccccc5O4)C3)cnc12 ZINC000628424427 523544872 /nfs/dbraw/zinc/54/48/72/523544872.db2.gz IEPDDICTKFREHW-OAQYLSRUSA-N 1 2 373.416 2.601 20 30 FFEDLO N#Cc1cnn2cc(C[N@@H+]3CCC[C@@]4(CC(=O)c5ccccc5O4)C3)cnc12 ZINC000628424427 523544880 /nfs/dbraw/zinc/54/48/80/523544880.db2.gz IEPDDICTKFREHW-OAQYLSRUSA-N 1 2 373.416 2.601 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800015 523696679 /nfs/dbraw/zinc/69/66/79/523696679.db2.gz SGJARHXMAMDGTF-OAQYLSRUSA-N 1 2 354.450 2.687 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800015 523696683 /nfs/dbraw/zinc/69/66/83/523696683.db2.gz SGJARHXMAMDGTF-OAQYLSRUSA-N 1 2 354.450 2.687 20 30 FFEDLO C=CCCc1ccccc1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000505011234 561665477 /nfs/dbraw/zinc/66/54/77/561665477.db2.gz SAHYEWGAANMLPJ-UHFFFAOYSA-N 1 2 369.469 2.978 20 30 FFEDLO Cc1nc(NCc2cccc(C(=O)N[C@]3(C#N)CCSC3)c2)cc[nH+]1 ZINC000612534458 554800717 /nfs/dbraw/zinc/80/07/17/554800717.db2.gz CJAINKDINWMRGA-SFHVURJKSA-N 1 2 353.451 2.526 20 30 FFEDLO Cc1nc(NCc2cccc(C(=O)N[C@@]3(C#N)CCSC3)c2)cc[nH+]1 ZINC000612534457 554800797 /nfs/dbraw/zinc/80/07/97/554800797.db2.gz CJAINKDINWMRGA-GOSISDBHSA-N 1 2 353.451 2.526 20 30 FFEDLO Cc1c(C(=O)C=Cc2c[nH+]c3ccc(C)cn23)c(-c2nn[nH]n2)c2n1CCC2 ZINC000822279876 607368362 /nfs/dbraw/zinc/36/83/62/607368362.db2.gz FCDIGKWYFJRZRU-SREVYHEPSA-N 1 2 373.420 2.775 20 30 FFEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+](C)C[C@H]2CCOC2)c1=S ZINC000162449487 728945357 /nfs/dbraw/zinc/94/53/57/728945357.db2.gz LQQZRSVBEROWMX-OAHLLOKOSA-N 1 2 359.499 2.978 20 30 FFEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+](C)C[C@H]2CCOC2)c1=S ZINC000162449487 728945359 /nfs/dbraw/zinc/94/53/59/728945359.db2.gz LQQZRSVBEROWMX-OAHLLOKOSA-N 1 2 359.499 2.978 20 30 FFEDLO CN(Cc1cccs1)C(=O)CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000106067181 728509646 /nfs/dbraw/zinc/50/96/46/728509646.db2.gz YUIKYVMJTMXGKQ-UHFFFAOYSA-N 1 2 351.859 2.891 20 30 FFEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000125782185 728687639 /nfs/dbraw/zinc/68/76/39/728687639.db2.gz WEEYJLOWELMTSG-LSDHHAIUSA-N 1 2 350.894 2.776 20 30 FFEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000125782185 728687640 /nfs/dbraw/zinc/68/76/40/728687640.db2.gz WEEYJLOWELMTSG-LSDHHAIUSA-N 1 2 350.894 2.776 20 30 FFEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(C)(O)CC3)n2)C1 ZINC000329932592 729799506 /nfs/dbraw/zinc/79/95/06/729799506.db2.gz BBVGWDUKCNHXHK-ZDUSSCGKSA-N 1 2 352.504 2.767 20 30 FFEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(C)(O)CC3)n2)C1 ZINC000329932592 729799509 /nfs/dbraw/zinc/79/95/09/729799509.db2.gz BBVGWDUKCNHXHK-ZDUSSCGKSA-N 1 2 352.504 2.767 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nn1 ZINC000640781047 730175598 /nfs/dbraw/zinc/17/55/98/730175598.db2.gz CZHMZGHEOHEYKB-NSHDSACASA-N 1 2 366.252 2.898 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)nn1 ZINC000640880526 730182998 /nfs/dbraw/zinc/18/29/98/730182998.db2.gz YYXCZIUSLUUWEU-LBPRGKRZSA-N 1 2 356.817 2.704 20 30 FFEDLO C#CCCOC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000859105288 730441929 /nfs/dbraw/zinc/44/19/29/730441929.db2.gz ARSIHTRSDYZHOD-UHFFFAOYSA-N 1 2 350.216 2.697 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2cc(F)cc(C#N)c2)c1C ZINC000866672279 731086466 /nfs/dbraw/zinc/08/64/66/731086466.db2.gz IBRDGPCKEXQVBY-UHFFFAOYSA-N 1 2 363.414 2.539 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C#N)CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000866973134 731126840 /nfs/dbraw/zinc/12/68/40/731126840.db2.gz ZPSSJJILCLUIJE-LZLYRXPVSA-N 1 2 365.836 2.661 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)[C@@]2(C#N)CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000866973134 731126841 /nfs/dbraw/zinc/12/68/41/731126841.db2.gz ZPSSJJILCLUIJE-LZLYRXPVSA-N 1 2 365.836 2.661 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@](C)(CO)c2cccc(C(F)(F)F)c2)nn1 ZINC000653557462 731273090 /nfs/dbraw/zinc/27/30/90/731273090.db2.gz VUQJHLPLJZJYAT-MRXNPFEDSA-N 1 2 354.376 2.870 20 30 FFEDLO C#CCCCCCC(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000780258978 738529572 /nfs/dbraw/zinc/52/95/72/738529572.db2.gz RTOSGPQLFVIZKY-UHFFFAOYSA-N 1 2 362.495 2.519 20 30 FFEDLO C=C(Br)C[NH+]1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1 ZINC000878924974 732615036 /nfs/dbraw/zinc/61/50/36/732615036.db2.gz WNOXCHUSTIMVSE-UHFFFAOYSA-N 1 2 368.275 2.535 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC[C@H](C(F)(F)F)O1 ZINC000880055467 732835195 /nfs/dbraw/zinc/83/51/95/732835195.db2.gz YTOTXGSCLYQVEV-ZIAGYGMSSA-N 1 2 361.408 2.713 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC[C@H](C(F)(F)F)O1 ZINC000880055467 732835197 /nfs/dbraw/zinc/83/51/97/732835197.db2.gz YTOTXGSCLYQVEV-ZIAGYGMSSA-N 1 2 361.408 2.713 20 30 FFEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC2(CC1)COCCO2 ZINC000880547398 732923123 /nfs/dbraw/zinc/92/31/23/732923123.db2.gz LWZWEKJDBSIIRF-UHFFFAOYSA-N 1 2 351.244 2.702 20 30 FFEDLO C=CC[C@H](NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)c1ccncc1 ZINC000881903124 733132749 /nfs/dbraw/zinc/13/27/49/733132749.db2.gz DEVLXFPRHPTHEL-SFHVURJKSA-N 1 2 357.479 2.665 20 30 FFEDLO C=CC[C@H](NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)c1ccncc1 ZINC000881903124 733132752 /nfs/dbraw/zinc/13/27/52/733132752.db2.gz DEVLXFPRHPTHEL-SFHVURJKSA-N 1 2 357.479 2.665 20 30 FFEDLO C=CCNc1ncc(C(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)s1 ZINC000882330489 733209881 /nfs/dbraw/zinc/20/98/81/733209881.db2.gz RJDZSNQBLIHGQL-UHFFFAOYSA-N 1 2 366.531 2.704 20 30 FFEDLO CNC(=O)c1cccc(CO[NH+]=C(N)c2ccc(Br)cc2)c1 ZINC000782949795 738767461 /nfs/dbraw/zinc/76/74/61/738767461.db2.gz LVSWQDIUPKGOOQ-UHFFFAOYSA-N 1 2 362.227 2.646 20 30 FFEDLO C[C@H]1CCN(C(=O)Nc2nc(Cl)c(C#N)s2)C[C@@H]1n1cc[nH+]c1 ZINC000888414185 734051856 /nfs/dbraw/zinc/05/18/56/734051856.db2.gz PBDNLHLIOHAWCY-UWVGGRQHSA-N 1 2 350.835 2.980 20 30 FFEDLO Cc1ccc(C)c(S(=O)(=O)NN=Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000783776368 738836124 /nfs/dbraw/zinc/83/61/24/738836124.db2.gz CBISELFSOBJAJL-UHFFFAOYSA-N 1 2 360.464 2.863 20 30 FFEDLO Cc1nc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000733126123 734791841 /nfs/dbraw/zinc/79/18/41/734791841.db2.gz UDUCCOGFOPXPJV-UHFFFAOYSA-N 1 2 354.479 2.600 20 30 FFEDLO C=CCN(CC=C)C(=O)C[NH+]1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000733200973 734797625 /nfs/dbraw/zinc/79/76/25/734797625.db2.gz NIVCAWQOJPLJKT-HOTGVXAUSA-N 1 2 351.491 2.517 20 30 FFEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2nc(Br)nn2C)c1 ZINC000894273305 734828863 /nfs/dbraw/zinc/82/88/63/734828863.db2.gz MEGMBBTVOWBWHF-LBPRGKRZSA-N 1 2 364.247 2.548 20 30 FFEDLO C#CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000784139100 738863704 /nfs/dbraw/zinc/86/37/04/738863704.db2.gz FXRXUYKXUNEYCU-UHFFFAOYSA-N 1 2 350.440 2.636 20 30 FFEDLO C#CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000784139100 738863709 /nfs/dbraw/zinc/86/37/09/738863709.db2.gz FXRXUYKXUNEYCU-UHFFFAOYSA-N 1 2 350.440 2.636 20 30 FFEDLO Cc1nc(C)c(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000895407941 735001920 /nfs/dbraw/zinc/00/19/20/735001920.db2.gz JTLIXYBKRUZUTI-UHFFFAOYSA-N 1 2 354.479 2.519 20 30 FFEDLO CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2c[nH+]cn2CC)cc1 ZINC000901429718 735777804 /nfs/dbraw/zinc/77/78/04/735777804.db2.gz YFYJIKVAUMYAKQ-FMIVXFBMSA-N 1 2 361.467 2.830 20 30 FFEDLO COc1cc(C(=O)/C=C/c2[nH]c(C)c(C)[nH+]2)ccc1S(=O)(=O)C(F)F ZINC000901467569 735782163 /nfs/dbraw/zinc/78/21/63/735782163.db2.gz UPXSWTYOTUHEAM-FNORWQNLSA-N 1 2 370.377 2.928 20 30 FFEDLO Cn1nc(-c2ccccc2)c(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)c1Cl ZINC000753936199 736108016 /nfs/dbraw/zinc/10/80/16/736108016.db2.gz SFGXPCRBIYBPAG-HUUCEWRRSA-N 1 2 356.861 2.934 20 30 FFEDLO C#CCN(CC#CC)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000755101769 736232949 /nfs/dbraw/zinc/23/29/49/736232949.db2.gz XFXAJPKNOQKPGJ-ROUUACIJSA-N 1 2 361.848 2.892 20 30 FFEDLO C#CCN(CC#CC)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000755101769 736232952 /nfs/dbraw/zinc/23/29/52/736232952.db2.gz XFXAJPKNOQKPGJ-ROUUACIJSA-N 1 2 361.848 2.892 20 30 FFEDLO C[NH+]1CCN(c2ccc(CN=Nc3ncnc4sccc43)cc2)CC1 ZINC000771550472 737734831 /nfs/dbraw/zinc/73/48/31/737734831.db2.gz QLLVUVFDZSFQAU-UHFFFAOYSA-N 1 2 352.467 2.889 20 30 FFEDLO COc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)cc1C#N ZINC000775626315 738107331 /nfs/dbraw/zinc/10/73/31/738107331.db2.gz BUYUBVKWVPFILO-MRXNPFEDSA-N 1 2 360.410 2.714 20 30 FFEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@](C)(c2ccc(Br)s2)C1=O ZINC000777960696 738335804 /nfs/dbraw/zinc/33/58/04/738335804.db2.gz KQCURBHKJGYEHM-CQSZACIVSA-N 1 2 372.288 2.743 20 30 FFEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc(Br)s2)C1=O ZINC000777960696 738335808 /nfs/dbraw/zinc/33/58/08/738335808.db2.gz KQCURBHKJGYEHM-CQSZACIVSA-N 1 2 372.288 2.743 20 30 FFEDLO C=C[C@](C)(CC)C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000785755197 738995856 /nfs/dbraw/zinc/99/58/56/738995856.db2.gz VEGHISNUEWFKKN-GOSISDBHSA-N 1 2 350.484 2.538 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](CC[S@@](=O)C(F)(F)F)CC2)c(F)c1 ZINC000930464536 739113290 /nfs/dbraw/zinc/11/32/90/739113290.db2.gz UJEMPRBYWWDLFI-XMMPIXPASA-N 1 2 364.364 2.809 20 30 FFEDLO C#CC1(O)CC[NH+](Cc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000931143726 739218619 /nfs/dbraw/zinc/21/86/19/739218619.db2.gz LESLPKWYXKXDAO-UHFFFAOYSA-N 1 2 368.256 2.521 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(Br)cc2)n1 ZINC000789322420 739337357 /nfs/dbraw/zinc/33/73/57/739337357.db2.gz IBWQUIGTYYXRBO-UHFFFAOYSA-N 1 2 362.271 2.927 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(Br)cc2)n1 ZINC000789322420 739337362 /nfs/dbraw/zinc/33/73/62/739337362.db2.gz IBWQUIGTYYXRBO-UHFFFAOYSA-N 1 2 362.271 2.927 20 30 FFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](CC#N)C(F)(F)F)CC1 ZINC000932909094 739535504 /nfs/dbraw/zinc/53/55/04/739535504.db2.gz GBMFVMNPKJEYCI-AAEUAGOBSA-N 1 2 360.405 2.981 20 30 FFEDLO C#C[C@H]1CCCC[N@H+]1Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000934514647 739796701 /nfs/dbraw/zinc/79/67/01/739796701.db2.gz WDVGOUDKQYTSOP-LBPRGKRZSA-N 1 2 353.348 2.530 20 30 FFEDLO C#C[C@H]1CCCC[N@@H+]1Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000934514647 739796707 /nfs/dbraw/zinc/79/67/07/739796707.db2.gz WDVGOUDKQYTSOP-LBPRGKRZSA-N 1 2 353.348 2.530 20 30 FFEDLO C[NH+](C)Cc1cnc(/C=C2\COc3c(cc(F)cc3[N+](=O)[O-])C2=O)s1 ZINC000794712966 739922539 /nfs/dbraw/zinc/92/25/39/739922539.db2.gz PENNXYKDGRRSHO-YCRREMRBSA-N 1 2 363.370 2.911 20 30 FFEDLO CCc1ccc(N2CC[NH+](CC(=O)N(CC)CCC#N)CC2)cc1Cl ZINC000796141715 740106959 /nfs/dbraw/zinc/10/69/59/740106959.db2.gz WRGMYQRDVXHNCK-UHFFFAOYSA-N 1 2 362.905 2.787 20 30 FFEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cnc(Cl)cn3)CC2)c1 ZINC000799127063 740390056 /nfs/dbraw/zinc/39/00/56/740390056.db2.gz ABRRHQVCEGAAIM-UHFFFAOYSA-N 1 2 355.829 2.852 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)c(C)sc2Br)CC1 ZINC000799596679 740432037 /nfs/dbraw/zinc/43/20/37/740432037.db2.gz KEECBRWPGQSHLZ-UHFFFAOYSA-N 1 2 355.301 2.909 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000951785348 740446485 /nfs/dbraw/zinc/44/64/85/740446485.db2.gz JUVAGYUXSXKUSW-CFVMTHIKSA-N 1 2 361.313 2.694 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc(C)sc1C ZINC000960885490 740626745 /nfs/dbraw/zinc/62/67/45/740626745.db2.gz WMPKIDXUMCWLRR-NUJGCVRESA-N 1 2 363.527 2.774 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc(C)sc1C ZINC000960885490 740626749 /nfs/dbraw/zinc/62/67/49/740626749.db2.gz WMPKIDXUMCWLRR-NUJGCVRESA-N 1 2 363.527 2.774 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2nc(C)c(C)s2)C1 ZINC000969685175 740736828 /nfs/dbraw/zinc/73/68/28/740736828.db2.gz RKKHWBYEAVUJSC-XYPHTWIQSA-N 1 2 363.527 2.678 20 30 FFEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)[C@H]3OCC[C@H]3CC)C2)C1 ZINC000981822699 741175207 /nfs/dbraw/zinc/17/52/07/741175207.db2.gz RELSAIRLRUBYOO-CABCVRRESA-N 1 2 371.319 2.635 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3OCC[C@H]3CC)C2)C1 ZINC000981822699 741175210 /nfs/dbraw/zinc/17/52/10/741175210.db2.gz RELSAIRLRUBYOO-CABCVRRESA-N 1 2 371.319 2.635 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@H](C)c2csnn2)CC1 ZINC000985436180 741395654 /nfs/dbraw/zinc/39/56/54/741395654.db2.gz XPBVNPNDDNWFNO-UNEWFSDZSA-N 1 2 364.515 2.503 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@H+](C)[C@H](C)c2csnn2)CC1 ZINC000985436180 741395659 /nfs/dbraw/zinc/39/56/59/741395659.db2.gz XPBVNPNDDNWFNO-UNEWFSDZSA-N 1 2 364.515 2.503 20 30 FFEDLO CN(C)c1cc(COC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc[nH+]1 ZINC000815478561 741938551 /nfs/dbraw/zinc/93/85/51/741938551.db2.gz ZPALUIRZGKQLGE-UHFFFAOYSA-N 1 2 350.300 2.790 20 30 FFEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2OCC[C@H]2C(C)C)CC1 ZINC001002835963 742174344 /nfs/dbraw/zinc/17/43/44/742174344.db2.gz QRHUGZOTLMLVKR-GJZGRUSLSA-N 1 2 359.308 2.537 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(N2CCSCC2)c(Cl)c1 ZINC000819439385 742391263 /nfs/dbraw/zinc/39/12/63/742391263.db2.gz SCDRFAPERYJVOS-OAHLLOKOSA-N 1 2 368.934 2.511 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(N2CCSCC2)c(Cl)c1 ZINC000819439385 742391269 /nfs/dbraw/zinc/39/12/69/742391269.db2.gz SCDRFAPERYJVOS-OAHLLOKOSA-N 1 2 368.934 2.511 20 30 FFEDLO CCOc1cc(Br)c(F)cc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000819487452 742396695 /nfs/dbraw/zinc/39/66/95/742396695.db2.gz NIADMTRLRJMXQH-LLVKDONJSA-N 1 2 374.254 2.605 20 30 FFEDLO CCOc1cc(Br)c(F)cc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000819487452 742396701 /nfs/dbraw/zinc/39/67/01/742396701.db2.gz NIADMTRLRJMXQH-LLVKDONJSA-N 1 2 374.254 2.605 20 30 FFEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)C1 ZINC001031666774 742840829 /nfs/dbraw/zinc/84/08/29/742840829.db2.gz WMXGECGQEMFSJD-DOTOQJQBSA-N 1 2 364.873 2.608 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC001033496157 742894863 /nfs/dbraw/zinc/89/48/63/742894863.db2.gz HGRNGDSGJVKIPT-PMPSAXMXSA-N 1 2 371.319 2.799 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC001033496157 742894868 /nfs/dbraw/zinc/89/48/68/742894868.db2.gz HGRNGDSGJVKIPT-PMPSAXMXSA-N 1 2 371.319 2.799 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001033833911 742896079 /nfs/dbraw/zinc/89/60/79/742896079.db2.gz SFNRVOHBILLGEN-ZACQAIPSSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001033833911 742896089 /nfs/dbraw/zinc/89/60/89/742896089.db2.gz SFNRVOHBILLGEN-ZACQAIPSSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CC(=C)Cl)CCC1(F)F ZINC001046943285 743339199 /nfs/dbraw/zinc/33/91/99/743339199.db2.gz CZQKNTZXNXNXCN-ZNMIVQPWSA-N 1 2 362.848 2.794 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@H+](CC(=C)Cl)CCC1(F)F ZINC001046943285 743339208 /nfs/dbraw/zinc/33/92/08/743339208.db2.gz CZQKNTZXNXNXCN-ZNMIVQPWSA-N 1 2 362.848 2.794 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000825974585 743351167 /nfs/dbraw/zinc/35/11/67/743351167.db2.gz BWSVECCJXHQVOO-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO COc1cc(C2SCCS2)ccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000840752154 747173054 /nfs/dbraw/zinc/17/30/54/747173054.db2.gz BAZRGBOJKTUIAF-AWEZNQCLSA-N 1 2 368.524 2.759 20 30 FFEDLO COc1cc(C2SCCS2)ccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000840752154 747173058 /nfs/dbraw/zinc/17/30/58/747173058.db2.gz BAZRGBOJKTUIAF-AWEZNQCLSA-N 1 2 368.524 2.759 20 30 FFEDLO Cc1nc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)sc1C ZINC000844365489 748013635 /nfs/dbraw/zinc/01/36/35/748013635.db2.gz GIVWFMFPVVWMBC-MLGOLLRUSA-N 1 2 358.467 2.624 20 30 FFEDLO Cc1nc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)sc1C ZINC000844365489 748013642 /nfs/dbraw/zinc/01/36/42/748013642.db2.gz GIVWFMFPVVWMBC-MLGOLLRUSA-N 1 2 358.467 2.624 20 30 FFEDLO CCCCCCCCCS(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000845879861 748343414 /nfs/dbraw/zinc/34/34/14/748343414.db2.gz KEWDGLVJQOXATA-GOSISDBHSA-N 1 2 360.564 2.721 20 30 FFEDLO CCCCCCCCCS(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000845879863 748343639 /nfs/dbraw/zinc/34/36/39/748343639.db2.gz KEWDGLVJQOXATA-SFHVURJKSA-N 1 2 360.564 2.721 20 30 FFEDLO C[C@@H]1CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)[C@@H]1CCO ZINC000852460037 749865652 /nfs/dbraw/zinc/86/56/52/749865652.db2.gz ZHOSFMXROPHXAU-IJEWVQPXSA-N 1 2 357.479 2.955 20 30 FFEDLO C[C@@H]1CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)[C@@H]1CCO ZINC000852460037 749865662 /nfs/dbraw/zinc/86/56/62/749865662.db2.gz ZHOSFMXROPHXAU-IJEWVQPXSA-N 1 2 357.479 2.955 20 30 FFEDLO C=CCSc1nc2ccccc2n1C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000853550897 750090506 /nfs/dbraw/zinc/09/05/06/750090506.db2.gz NZRDMOUBJJXELQ-MRXNPFEDSA-N 1 2 358.511 2.678 20 30 FFEDLO C#CCCN(CCOC)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000854097363 750240429 /nfs/dbraw/zinc/24/04/29/750240429.db2.gz KMIQLVIGEZMSFG-UHFFFAOYSA-N 1 2 360.845 2.707 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104808577 970876935 /nfs/dbraw/zinc/87/69/35/970876935.db2.gz WHRVOFKAXVGGRU-XCRHUMRWSA-N 1 2 358.486 2.514 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(F)(F)C(F)F)C1 ZINC001105090961 971499609 /nfs/dbraw/zinc/49/96/09/971499609.db2.gz OCPZSGDOMOYXQU-FRRDWIJNSA-N 1 2 354.388 2.552 20 30 FFEDLO Cc1cccc(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(F)ccc4C#N)C[C@H]32)n1 ZINC001075555828 972005186 /nfs/dbraw/zinc/00/51/86/972005186.db2.gz PNSJVIPYLJIXLS-OXJNMPFZSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(F)ccc4C#N)C[C@H]32)n1 ZINC001075555828 972005191 /nfs/dbraw/zinc/00/51/91/972005191.db2.gz PNSJVIPYLJIXLS-OXJNMPFZSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)cs1 ZINC001095914915 1013135927 /nfs/dbraw/zinc/13/59/27/1013135927.db2.gz PZMSATXNCVUOGR-AOIWGVFYSA-N 1 2 351.475 2.838 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)cs1 ZINC001095914915 1013135934 /nfs/dbraw/zinc/13/59/34/1013135934.db2.gz PZMSATXNCVUOGR-AOIWGVFYSA-N 1 2 351.475 2.838 20 30 FFEDLO N#Cc1cccc(C[N@H+]2C[C@H]3OCCN(C(=O)c4occc4Cl)[C@H]3C2)c1 ZINC001083184907 958829503 /nfs/dbraw/zinc/82/95/03/958829503.db2.gz RPHJITCZLCJPAR-DLBZAZTESA-N 1 2 371.824 2.530 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3OCCN(C(=O)c4occc4Cl)[C@H]3C2)c1 ZINC001083184907 958829519 /nfs/dbraw/zinc/82/95/19/958829519.db2.gz RPHJITCZLCJPAR-DLBZAZTESA-N 1 2 371.824 2.530 20 30 FFEDLO C=CCOc1ccc(/C=C\C(=O)O[C@@H](C)C[NH+]2CCOCC2)cc1OC ZINC000784919665 959033160 /nfs/dbraw/zinc/03/31/60/959033160.db2.gz VMWJDSXTJVEQNV-IOBAAEILSA-N 1 2 361.438 2.537 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008842194 972428552 /nfs/dbraw/zinc/42/85/52/972428552.db2.gz WUOHGCXKFJWNEW-BJLQDIEVSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008842194 972428560 /nfs/dbraw/zinc/42/85/60/972428560.db2.gz WUOHGCXKFJWNEW-BJLQDIEVSA-N 1 2 371.456 2.759 20 30 FFEDLO N#CCCCN1CCC2(CC[NH+](Cc3ccc(Cl)nc3F)CC2)C1=O ZINC001275948969 1013217900 /nfs/dbraw/zinc/21/79/00/1013217900.db2.gz GNCLOCJUHVOSLE-UHFFFAOYSA-N 1 2 364.852 2.992 20 30 FFEDLO N#Cc1ccc(-c2ccccc2Nc2cnn(CC[NH+]3CCOCC3)c2)nc1 ZINC001174494865 1013223907 /nfs/dbraw/zinc/22/39/07/1013223907.db2.gz WVGYTXAVYSGUDA-UHFFFAOYSA-N 1 2 374.448 2.893 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)cc1F)C2 ZINC001275993492 1013263877 /nfs/dbraw/zinc/26/38/77/1013263877.db2.gz KRBOXBQMZLYVBR-GOSISDBHSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)cc1F)C2 ZINC001275993492 1013263884 /nfs/dbraw/zinc/26/38/84/1013263884.db2.gz KRBOXBQMZLYVBR-GOSISDBHSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)CCC(C)=C(C)C1)C2 ZINC001110174018 1013306670 /nfs/dbraw/zinc/30/66/70/1013306670.db2.gz IWPMJJDPZMRQBX-OEMYIYORSA-N 1 2 359.514 2.537 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)CCC(C)=C(C)C1)C2 ZINC001110174018 1013306678 /nfs/dbraw/zinc/30/66/78/1013306678.db2.gz IWPMJJDPZMRQBX-OEMYIYORSA-N 1 2 359.514 2.537 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnc(C)cn2)CCCCC1 ZINC001110177773 1013366254 /nfs/dbraw/zinc/36/62/54/1013366254.db2.gz HPBAVTPWCPWHQK-AABGKKOBSA-N 1 2 366.509 2.980 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnc(C)cn2)CCCCC1 ZINC001110177773 1013366260 /nfs/dbraw/zinc/36/62/60/1013366260.db2.gz HPBAVTPWCPWHQK-AABGKKOBSA-N 1 2 366.509 2.980 20 30 FFEDLO Cc1ncc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cc(F)ccc2C#N)[nH]1 ZINC001087135461 963089759 /nfs/dbraw/zinc/08/97/59/963089759.db2.gz JATIHMIAZYMMRM-ACJLOTCBSA-N 1 2 369.444 2.759 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110183162 1013418138 /nfs/dbraw/zinc/41/81/38/1013418138.db2.gz LWXBALZHXJUEEA-OLQIXAPSSA-N 1 2 357.429 2.510 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110183162 1013418144 /nfs/dbraw/zinc/41/81/44/1013418144.db2.gz LWXBALZHXJUEEA-OLQIXAPSSA-N 1 2 357.429 2.510 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110183360 1013419985 /nfs/dbraw/zinc/41/99/85/1013419985.db2.gz SHDWWESYESNLDN-BIGGFVEDSA-N 1 2 357.429 2.510 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110183360 1013419991 /nfs/dbraw/zinc/41/99/91/1013419991.db2.gz SHDWWESYESNLDN-BIGGFVEDSA-N 1 2 357.429 2.510 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+]([C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000891398453 963840547 /nfs/dbraw/zinc/84/05/47/963840547.db2.gz CQXSIKCPMWYUJV-GUDVDZBRSA-N 1 2 359.445 2.503 20 30 FFEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000134621906 964315174 /nfs/dbraw/zinc/31/51/74/964315174.db2.gz LOIPIOLKKFVXRP-PBHICJAKSA-N 1 2 372.469 2.874 20 30 FFEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000134621906 964315185 /nfs/dbraw/zinc/31/51/85/964315185.db2.gz LOIPIOLKKFVXRP-PBHICJAKSA-N 1 2 372.469 2.874 20 30 FFEDLO CCc1nc(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)co1 ZINC001075711034 964388315 /nfs/dbraw/zinc/38/83/15/964388315.db2.gz YAEFNTOJNJYQPS-KBXCAEBGSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1nc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)co1 ZINC001075711034 964388327 /nfs/dbraw/zinc/38/83/27/964388327.db2.gz YAEFNTOJNJYQPS-KBXCAEBGSA-N 1 2 368.412 2.594 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC001022135873 964422637 /nfs/dbraw/zinc/42/26/37/964422637.db2.gz GZLQANMHPSTXIB-LUQKVYGDSA-N 1 2 366.465 2.610 20 30 FFEDLO Cc1cc[nH]c1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001075750184 964917506 /nfs/dbraw/zinc/91/75/06/964917506.db2.gz AEFBNFNVVRDRLB-MAUKXSAKSA-N 1 2 352.413 2.680 20 30 FFEDLO Cc1cc[nH]c1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001075750184 964917569 /nfs/dbraw/zinc/91/75/69/964917569.db2.gz AEFBNFNVVRDRLB-MAUKXSAKSA-N 1 2 352.413 2.680 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@H+](C[C@@H](O)COc3ccc(F)cc3)CCO2)cc1 ZINC000933622889 964966823 /nfs/dbraw/zinc/96/68/23/964966823.db2.gz NYKAXIKPQRAYID-UYAOXDASSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@@H+](C[C@@H](O)COc3ccc(F)cc3)CCO2)cc1 ZINC000933622889 964966836 /nfs/dbraw/zinc/96/68/36/964966836.db2.gz NYKAXIKPQRAYID-UYAOXDASSA-N 1 2 356.397 2.511 20 30 FFEDLO C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001087467133 965047530 /nfs/dbraw/zinc/04/75/30/965047530.db2.gz GQNBENULRDVVRU-NVXWUHKLSA-N 1 2 360.408 2.852 20 30 FFEDLO C=C(C)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001087467133 965047543 /nfs/dbraw/zinc/04/75/43/965047543.db2.gz GQNBENULRDVVRU-NVXWUHKLSA-N 1 2 360.408 2.852 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cnoc2CC)C1 ZINC001087468331 965213522 /nfs/dbraw/zinc/21/35/22/965213522.db2.gz SWDKALBJBRUKQH-SJLPKXTDSA-N 1 2 355.413 2.597 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cnoc2CC)C1 ZINC001087468331 965213536 /nfs/dbraw/zinc/21/35/36/965213536.db2.gz SWDKALBJBRUKQH-SJLPKXTDSA-N 1 2 355.413 2.597 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2nc(C)oc2C)C1 ZINC001087468578 965246048 /nfs/dbraw/zinc/24/60/48/965246048.db2.gz FYNWVVAVPRGPTQ-QZTJIDSGSA-N 1 2 355.413 2.652 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2nc(C)oc2C)C1 ZINC001087468578 965246060 /nfs/dbraw/zinc/24/60/60/965246060.db2.gz FYNWVVAVPRGPTQ-QZTJIDSGSA-N 1 2 355.413 2.652 20 30 FFEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC000971967207 965798808 /nfs/dbraw/zinc/79/88/08/965798808.db2.gz VHWLCOOJCUYIMM-MVJPYGJCSA-N 1 2 371.456 2.545 20 30 FFEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC000971967207 965798827 /nfs/dbraw/zinc/79/88/27/965798827.db2.gz VHWLCOOJCUYIMM-MVJPYGJCSA-N 1 2 371.456 2.545 20 30 FFEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](Cc3csc(-c4ccco4)n3)C[C@H]21 ZINC001075770639 966024908 /nfs/dbraw/zinc/02/49/08/966024908.db2.gz DRQYGOPZROTION-DOTOQJQBSA-N 1 2 367.474 2.849 20 30 FFEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](Cc3csc(-c4ccco4)n3)C[C@H]21 ZINC001075770639 966024923 /nfs/dbraw/zinc/02/49/23/966024923.db2.gz DRQYGOPZROTION-DOTOQJQBSA-N 1 2 367.474 2.849 20 30 FFEDLO C#CC1(F)CN(C(=O)[C@H](c2cccc(Br)c2)[NH+]2CCCC2)C1 ZINC001176294090 1013664875 /nfs/dbraw/zinc/66/48/75/1013664875.db2.gz FANMZUCLYYGITM-HNNXBMFYSA-N 1 2 365.246 2.770 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001211551541 966705213 /nfs/dbraw/zinc/70/52/13/966705213.db2.gz UHNFGYLMFZZZOM-DLBZAZTESA-N 1 2 354.454 2.682 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(Cl)c(CCC)c3)[C@H]2C1 ZINC001083247960 966826668 /nfs/dbraw/zinc/82/66/68/966826668.db2.gz LQHIZTYRZWZZQJ-RBUKOAKNSA-N 1 2 360.885 2.841 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(Cl)c(CCC)c3)[C@H]2C1 ZINC001083247960 966826677 /nfs/dbraw/zinc/82/66/77/966826677.db2.gz LQHIZTYRZWZZQJ-RBUKOAKNSA-N 1 2 360.885 2.841 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](c4ccccc4)C3(C)C)C2)C1 ZINC000972386283 966903250 /nfs/dbraw/zinc/90/32/50/966903250.db2.gz BGJYGYANFDKGRU-ZRCGQRJVSA-N 1 2 366.505 2.753 20 30 FFEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](c4ccccc4)C3(C)C)C2)C1 ZINC000972386283 966903253 /nfs/dbraw/zinc/90/32/53/966903253.db2.gz BGJYGYANFDKGRU-ZRCGQRJVSA-N 1 2 366.505 2.753 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C[NH2+]CC2(C#N)CCC2)C1 ZINC000894967267 967129400 /nfs/dbraw/zinc/12/94/00/967129400.db2.gz SCKCIHYUPSCLSM-HNNXBMFYSA-N 1 2 374.489 2.634 20 30 FFEDLO Cc1oc(-c2ccco2)nc1C[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001075780873 967236947 /nfs/dbraw/zinc/23/69/47/967236947.db2.gz ZDLNQEJTHYFNDV-FUHWJXTLSA-N 1 2 365.433 2.689 20 30 FFEDLO Cc1oc(-c2ccco2)nc1C[N@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001075780873 967236957 /nfs/dbraw/zinc/23/69/57/967236957.db2.gz ZDLNQEJTHYFNDV-FUHWJXTLSA-N 1 2 365.433 2.689 20 30 FFEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3CC)C2)C1 ZINC000972519630 967556672 /nfs/dbraw/zinc/55/66/72/967556672.db2.gz WKKOUOCWDMNGHZ-TUNNFDKTSA-N 1 2 354.494 2.842 20 30 FFEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3CC)C2)C1 ZINC000972519630 967556679 /nfs/dbraw/zinc/55/66/79/967556679.db2.gz WKKOUOCWDMNGHZ-TUNNFDKTSA-N 1 2 354.494 2.842 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ncoc2C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087516021 967568036 /nfs/dbraw/zinc/56/80/36/967568036.db2.gz JCCFKDDBIIBVKY-DLBZAZTESA-N 1 2 356.401 2.777 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ncoc2C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087516021 967568042 /nfs/dbraw/zinc/56/80/42/967568042.db2.gz JCCFKDDBIIBVKY-DLBZAZTESA-N 1 2 356.401 2.777 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ncccc2C)[C@H]1CC ZINC001087530801 967750002 /nfs/dbraw/zinc/75/00/02/967750002.db2.gz TVESBYOGEZVTQY-UONOGXRCSA-N 1 2 352.276 2.881 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ncccc2C)[C@H]1CC ZINC001087530801 967750010 /nfs/dbraw/zinc/75/00/10/967750010.db2.gz TVESBYOGEZVTQY-UONOGXRCSA-N 1 2 352.276 2.881 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001029344084 967772703 /nfs/dbraw/zinc/77/27/03/967772703.db2.gz GOPGIJXUKQTGKA-LBKNJMOBSA-N 1 2 371.456 2.688 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001029344084 967772708 /nfs/dbraw/zinc/77/27/08/967772708.db2.gz GOPGIJXUKQTGKA-LBKNJMOBSA-N 1 2 371.456 2.688 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001075807815 967872631 /nfs/dbraw/zinc/87/26/31/967872631.db2.gz XOHJBRCIQDRLSX-SRFFNWCTSA-N 1 2 359.297 2.819 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001075807815 967872636 /nfs/dbraw/zinc/87/26/36/967872636.db2.gz XOHJBRCIQDRLSX-SRFFNWCTSA-N 1 2 359.297 2.819 20 30 FFEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)c(C)c3)C2)C1 ZINC000972585067 967909165 /nfs/dbraw/zinc/90/91/65/967909165.db2.gz GRPNEAGNWFVUCU-VWPQPMDRSA-N 1 2 354.494 2.896 20 30 FFEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)c(C)c3)C2)C1 ZINC000972585067 967909170 /nfs/dbraw/zinc/90/91/70/967909170.db2.gz GRPNEAGNWFVUCU-VWPQPMDRSA-N 1 2 354.494 2.896 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3csc(C)n3)[C@@H]2CC)c1 ZINC001087719060 968719713 /nfs/dbraw/zinc/71/97/13/968719713.db2.gz YDWUCPBTAXGCCT-ZWKOTPCHSA-N 1 2 354.479 2.611 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3csc(C)n3)[C@@H]2CC)c1 ZINC001087719060 968719723 /nfs/dbraw/zinc/71/97/23/968719723.db2.gz YDWUCPBTAXGCCT-ZWKOTPCHSA-N 1 2 354.479 2.611 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccnc(C)c2)[C@H]1CC ZINC001087767609 968985494 /nfs/dbraw/zinc/98/54/94/968985494.db2.gz KKCYNMRZLNZLIV-LSDHHAIUSA-N 1 2 352.276 2.881 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(C)c2)[C@H]1CC ZINC001087767609 968985504 /nfs/dbraw/zinc/98/55/04/968985504.db2.gz KKCYNMRZLNZLIV-LSDHHAIUSA-N 1 2 352.276 2.881 20 30 FFEDLO C=C1CC=C(F)C=C1NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)OC(C)(C)C ZINC001177091674 1013847388 /nfs/dbraw/zinc/84/73/88/1013847388.db2.gz GEYKORZNQMPMSQ-OAHLLOKOSA-N 1 2 362.405 2.659 20 30 FFEDLO C=C1CC=C(F)C=C1NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)OC(C)(C)C ZINC001177091674 1013847394 /nfs/dbraw/zinc/84/73/94/1013847394.db2.gz GEYKORZNQMPMSQ-OAHLLOKOSA-N 1 2 362.405 2.659 20 30 FFEDLO O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)c1cc2c[nH+]ccc2[nH]1 ZINC001151976718 1032075663 /nfs/dbraw/zinc/07/56/63/1032075663.db2.gz REXWMHJOIYVFDU-UHFFFAOYSA-N 1 2 351.749 2.822 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3coc(C4CC4)n3)[C@@H]2CC)nc1 ZINC001087802469 970303489 /nfs/dbraw/zinc/30/34/89/970303489.db2.gz SAEGZWWAGFINJN-PKOBYXMFSA-N 1 2 364.449 2.711 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3coc(C4CC4)n3)[C@@H]2CC)nc1 ZINC001087802469 970303495 /nfs/dbraw/zinc/30/34/95/970303495.db2.gz SAEGZWWAGFINJN-PKOBYXMFSA-N 1 2 364.449 2.711 20 30 FFEDLO C[C@H](O[NH+]=C(N)Cc1cccnc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000137638731 970670640 /nfs/dbraw/zinc/67/06/40/970670640.db2.gz WOVJNJJBZCHECU-NSHDSACASA-N 1 2 366.343 2.959 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C(C)C)nn3)CC[C@@H]2C1 ZINC001088093059 972712901 /nfs/dbraw/zinc/71/29/01/972712901.db2.gz IAKNSGDGBNBZPD-UWVAXJGDSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3cn(C(C)C)nn3)CC[C@@H]2C1 ZINC001088093059 972712913 /nfs/dbraw/zinc/71/29/13/972712913.db2.gz IAKNSGDGBNBZPD-UWVAXJGDSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C(C)C)n4C)CC[C@@H]3C2)C1 ZINC001088098333 972772590 /nfs/dbraw/zinc/77/25/90/972772590.db2.gz DYXCAHXIEVXIFC-SJORKVTESA-N 1 2 371.529 2.575 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C(C)C)n4C)CC[C@@H]3C2)C1 ZINC001088098333 972772595 /nfs/dbraw/zinc/77/25/95/972772595.db2.gz DYXCAHXIEVXIFC-SJORKVTESA-N 1 2 371.529 2.575 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](C/C(Cl)=C/Cl)CC[C@@H]3C2)nc1 ZINC001088174075 973510183 /nfs/dbraw/zinc/51/01/83/973510183.db2.gz GOULTJYVZYGINN-XKNYUJIKSA-N 1 2 364.276 2.776 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C/C(Cl)=C/Cl)CC[C@@H]3C2)nc1 ZINC001088174075 973510187 /nfs/dbraw/zinc/51/01/87/973510187.db2.gz GOULTJYVZYGINN-XKNYUJIKSA-N 1 2 364.276 2.776 20 30 FFEDLO Cc1ccc(C#N)c(NC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C)n1 ZINC001126136856 974768353 /nfs/dbraw/zinc/76/83/53/974768353.db2.gz UHOUVPNFYWJJKK-BFYDXBDKSA-N 1 2 366.469 2.731 20 30 FFEDLO Cc1ccc(C#N)c(NC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C)n1 ZINC001126136856 974768358 /nfs/dbraw/zinc/76/83/58/974768358.db2.gz UHOUVPNFYWJJKK-BFYDXBDKSA-N 1 2 366.469 2.731 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(Cc2ccc(Cl)nc2)CC1=O ZINC000125566278 974805761 /nfs/dbraw/zinc/80/57/61/974805761.db2.gz YVQYCTRUSCWNTN-UHFFFAOYSA-N 1 2 367.840 2.895 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccnn2C)C1 ZINC001087423016 974881516 /nfs/dbraw/zinc/88/15/16/974881516.db2.gz GXBWPZLTDOJLDZ-IAGOWNOFSA-N 1 2 358.873 2.761 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccnn2C)C1 ZINC001087423016 974881519 /nfs/dbraw/zinc/88/15/19/974881519.db2.gz GXBWPZLTDOJLDZ-IAGOWNOFSA-N 1 2 358.873 2.761 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001027890008 975692201 /nfs/dbraw/zinc/69/22/01/975692201.db2.gz MJCHOFUVIXHOPI-ZCNNSNEGSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001027890008 975692208 /nfs/dbraw/zinc/69/22/08/975692208.db2.gz MJCHOFUVIXHOPI-ZCNNSNEGSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC001028197275 977109873 /nfs/dbraw/zinc/10/98/73/977109873.db2.gz DDDLFWBWYMHMSG-BXWFABGCSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ncc(C2CC2)o1 ZINC001028197275 977109882 /nfs/dbraw/zinc/10/98/82/977109882.db2.gz DDDLFWBWYMHMSG-BXWFABGCSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn4cccc(Cl)c34)[C@@H]2C1 ZINC001076018339 977435659 /nfs/dbraw/zinc/43/56/59/977435659.db2.gz MOTLUUBIWNSWGM-SWLSCSKDSA-N 1 2 365.264 2.887 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn4cccc(Cl)c34)[C@@H]2C1 ZINC001076018339 977435664 /nfs/dbraw/zinc/43/56/64/977435664.db2.gz MOTLUUBIWNSWGM-SWLSCSKDSA-N 1 2 365.264 2.887 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccns2)C1 ZINC001087455855 977785964 /nfs/dbraw/zinc/78/59/64/977785964.db2.gz RFSZRVPNODCJJO-IAGOWNOFSA-N 1 2 357.454 2.893 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccns2)C1 ZINC001087455855 977785968 /nfs/dbraw/zinc/78/59/68/977785968.db2.gz RFSZRVPNODCJJO-IAGOWNOFSA-N 1 2 357.454 2.893 20 30 FFEDLO Cc1ccncc1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001075642868 977867615 /nfs/dbraw/zinc/86/76/15/977867615.db2.gz XOVHYFPEBIJNSY-OXJNMPFZSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1ccncc1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001075642868 977867627 /nfs/dbraw/zinc/86/76/27/977867627.db2.gz XOVHYFPEBIJNSY-OXJNMPFZSA-N 1 2 364.424 2.747 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC(=O)CC23CCC3)c(OC)c1 ZINC000653763086 1014442597 /nfs/dbraw/zinc/44/25/97/1014442597.db2.gz LFRAFSKIXJRXPO-GOSISDBHSA-N 1 2 359.466 2.751 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC(=O)CC23CCC3)c(OC)c1 ZINC000653763086 1014442603 /nfs/dbraw/zinc/44/26/03/1014442603.db2.gz LFRAFSKIXJRXPO-GOSISDBHSA-N 1 2 359.466 2.751 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2scnc2C)C1 ZINC001087462657 978113054 /nfs/dbraw/zinc/11/30/54/978113054.db2.gz VONHQSAYGFVUTD-IAGOWNOFSA-N 1 2 357.454 2.812 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2scnc2C)C1 ZINC001087462657 978113058 /nfs/dbraw/zinc/11/30/58/978113058.db2.gz VONHQSAYGFVUTD-IAGOWNOFSA-N 1 2 357.454 2.812 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4nc(C)cs4)C[C@H]32)cc1 ZINC001076117477 979136023 /nfs/dbraw/zinc/13/60/23/979136023.db2.gz KNKVXMAWGXODPT-ZWKOTPCHSA-N 1 2 351.475 2.779 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4nc(C)cs4)C[C@H]32)cc1 ZINC001076117477 979136027 /nfs/dbraw/zinc/13/60/27/979136027.db2.gz KNKVXMAWGXODPT-ZWKOTPCHSA-N 1 2 351.475 2.779 20 30 FFEDLO CCc1oncc1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001076309168 979359085 /nfs/dbraw/zinc/35/90/85/979359085.db2.gz CGHLMDAGJALVTD-MAUKXSAKSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1oncc1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001076309168 979359098 /nfs/dbraw/zinc/35/90/98/979359098.db2.gz CGHLMDAGJALVTD-MAUKXSAKSA-N 1 2 368.412 2.594 20 30 FFEDLO COc1ccc(C#N)c(NCCSCc2csc(C[NH+](C)C)n2)n1 ZINC001168110593 979444096 /nfs/dbraw/zinc/44/40/96/979444096.db2.gz AZFIOJPUCNCSBQ-UHFFFAOYSA-N 1 2 363.512 2.825 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(-c4ccccn4)no3)[C@@H]2C1 ZINC001076405247 979453857 /nfs/dbraw/zinc/45/38/57/979453857.db2.gz HBNZKWWZYQWNHF-XJKSGUPXSA-N 1 2 358.829 2.635 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(-c4ccccn4)no3)[C@@H]2C1 ZINC001076405247 979453861 /nfs/dbraw/zinc/45/38/61/979453861.db2.gz HBNZKWWZYQWNHF-XJKSGUPXSA-N 1 2 358.829 2.635 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1coc(C)n1 ZINC000968861626 1014591225 /nfs/dbraw/zinc/59/12/25/1014591225.db2.gz PRRQZGYGSJRAPT-OTWHNJEPSA-N 1 2 361.486 2.825 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1coc(C)n1 ZINC000968861626 1014591233 /nfs/dbraw/zinc/59/12/33/1014591233.db2.gz PRRQZGYGSJRAPT-OTWHNJEPSA-N 1 2 361.486 2.825 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(N(C)C)cc3F)[C@@H]2C1 ZINC001075879964 979655247 /nfs/dbraw/zinc/65/52/47/979655247.db2.gz AFGWHUZFJHLIHA-SUMWQHHRSA-N 1 2 351.853 2.791 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(N(C)C)cc3F)[C@@H]2C1 ZINC001075879964 979655250 /nfs/dbraw/zinc/65/52/50/979655250.db2.gz AFGWHUZFJHLIHA-SUMWQHHRSA-N 1 2 351.853 2.791 20 30 FFEDLO C=CCOc1ccc(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccon4)C[C@H]32)cc1 ZINC001076616991 979724118 /nfs/dbraw/zinc/72/41/18/979724118.db2.gz DUMMDNNLENPILD-FXAWDEMLSA-N 1 2 367.449 2.515 20 30 FFEDLO C=CCOc1ccc(CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccon4)C[C@H]32)cc1 ZINC001076616991 979724120 /nfs/dbraw/zinc/72/41/20/979724120.db2.gz DUMMDNNLENPILD-FXAWDEMLSA-N 1 2 367.449 2.515 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(F)c(NC(C)=O)c3)[C@@H]2C1 ZINC001076626135 979727843 /nfs/dbraw/zinc/72/78/43/979727843.db2.gz RZXMWYGFFINQBM-WMLDXEAASA-N 1 2 365.836 2.683 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(F)c(NC(C)=O)c3)[C@@H]2C1 ZINC001076626135 979727850 /nfs/dbraw/zinc/72/78/50/979727850.db2.gz RZXMWYGFFINQBM-WMLDXEAASA-N 1 2 365.836 2.683 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCCO2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088526360 980437116 /nfs/dbraw/zinc/43/71/16/980437116.db2.gz JOLUQLPNRBTWCW-AYOQOUSVSA-N 1 2 360.885 2.840 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCCO2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088526360 980437118 /nfs/dbraw/zinc/43/71/18/980437118.db2.gz JOLUQLPNRBTWCW-AYOQOUSVSA-N 1 2 360.885 2.840 20 30 FFEDLO CC/C=C(/C)C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001211967648 981279024 /nfs/dbraw/zinc/27/90/24/981279024.db2.gz OUEVYPDUDPCHDF-DGKVGNNNSA-N 1 2 360.885 2.863 20 30 FFEDLO CC/C=C(/C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001211967648 981279027 /nfs/dbraw/zinc/27/90/27/981279027.db2.gz OUEVYPDUDPCHDF-DGKVGNNNSA-N 1 2 360.885 2.863 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2Cl)C[C@H]1OC ZINC001212022437 981459474 /nfs/dbraw/zinc/45/94/74/981459474.db2.gz QJNCFEATDUXBND-GDBMZVCRSA-N 1 2 352.862 2.630 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2Cl)C[C@H]1OC ZINC001212022437 981459478 /nfs/dbraw/zinc/45/94/78/981459478.db2.gz QJNCFEATDUXBND-GDBMZVCRSA-N 1 2 352.862 2.630 20 30 FFEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000908661653 981493593 /nfs/dbraw/zinc/49/35/93/981493593.db2.gz ZVEXMBVHDSLBGY-INIZCTEOSA-N 1 2 368.393 2.920 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[NH+]1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000877988063 1014800327 /nfs/dbraw/zinc/80/03/27/1014800327.db2.gz BOCACEHPHPMBSO-QFIPXVFZSA-N 1 2 373.460 2.516 20 30 FFEDLO N#Cc1cccc(COc2cccc(C[NH+]3CC(N4CCCC4=O)C3)c2)c1 ZINC000897785951 982516092 /nfs/dbraw/zinc/51/60/92/982516092.db2.gz CUYXBRJCLJCNHV-UHFFFAOYSA-N 1 2 361.445 2.944 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C)C1 ZINC000989790888 982861908 /nfs/dbraw/zinc/86/19/08/982861908.db2.gz HQKMYVVWFQERCE-WBVHZDCISA-N 1 2 366.465 2.718 20 30 FFEDLO C=CC(C)(C)C(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC000944394583 983864360 /nfs/dbraw/zinc/86/43/60/983864360.db2.gz LCHOGGVLVRMPPC-HZPDHXFCSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CC(C)(C)C(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC000944394583 983864371 /nfs/dbraw/zinc/86/43/71/983864371.db2.gz LCHOGGVLVRMPPC-HZPDHXFCSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3CC(C)C)CC2)C1 ZINC001105724539 984392113 /nfs/dbraw/zinc/39/21/13/984392113.db2.gz ICLQCUSOJQYAGZ-YLJYHZDGSA-N 1 2 364.530 2.563 20 30 FFEDLO CN(C)c1cccc(C[N@H+](C)Cc2nc3ccccc3c(=O)n2CC#N)c1 ZINC000760871950 984554799 /nfs/dbraw/zinc/55/47/99/984554799.db2.gz ZUVVXVYMAUQYGJ-UHFFFAOYSA-N 1 2 361.449 2.618 20 30 FFEDLO CN(C)c1cccc(C[N@@H+](C)Cc2nc3ccccc3c(=O)n2CC#N)c1 ZINC000760871950 984554802 /nfs/dbraw/zinc/55/48/02/984554802.db2.gz ZUVVXVYMAUQYGJ-UHFFFAOYSA-N 1 2 361.449 2.618 20 30 FFEDLO CC[C@]1(C)COCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000761109540 984795013 /nfs/dbraw/zinc/79/50/13/984795013.db2.gz JQPPHZGHWMBWOQ-FOIQADDNSA-N 1 2 350.422 2.725 20 30 FFEDLO CC[C@]1(C)COCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000761109540 984795021 /nfs/dbraw/zinc/79/50/21/984795021.db2.gz JQPPHZGHWMBWOQ-FOIQADDNSA-N 1 2 350.422 2.725 20 30 FFEDLO C[C@@H]1CCc2ccccc2N1C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158235812 984803307 /nfs/dbraw/zinc/80/33/07/984803307.db2.gz CKDRKJVBAZPFGS-CQSZACIVSA-N 1 2 365.433 2.626 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2conc2C2CC2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088849750 984999996 /nfs/dbraw/zinc/99/99/96/984999996.db2.gz HGDHDMOVFMSWMW-XIKOKIGWSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2conc2C2CC2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088849750 985000004 /nfs/dbraw/zinc/00/00/04/985000004.db2.gz HGDHDMOVFMSWMW-XIKOKIGWSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088871518 985196414 /nfs/dbraw/zinc/19/64/14/985196414.db2.gz SFAPUYVXWPVVMW-NQAGYIRISA-N 1 2 372.896 2.838 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088871518 985196419 /nfs/dbraw/zinc/19/64/19/985196419.db2.gz SFAPUYVXWPVVMW-NQAGYIRISA-N 1 2 372.896 2.838 20 30 FFEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001083790547 985700406 /nfs/dbraw/zinc/70/04/06/985700406.db2.gz OXYTYRJIVWSKRC-AFYVEPGGSA-N 1 2 374.912 2.535 20 30 FFEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001083790547 985700421 /nfs/dbraw/zinc/70/04/21/985700421.db2.gz OXYTYRJIVWSKRC-AFYVEPGGSA-N 1 2 374.912 2.535 20 30 FFEDLO CC(C)n1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)cn1 ZINC001088974722 985705774 /nfs/dbraw/zinc/70/57/74/985705774.db2.gz JHTPDCCRBGBUCD-KUHUBIRLSA-N 1 2 369.444 2.868 20 30 FFEDLO CC(C)n1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)cn1 ZINC001088974722 985705785 /nfs/dbraw/zinc/70/57/85/985705785.db2.gz JHTPDCCRBGBUCD-KUHUBIRLSA-N 1 2 369.444 2.868 20 30 FFEDLO C[C@H]1Cc2ccccc2C[N@@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000172927004 985713901 /nfs/dbraw/zinc/71/39/01/985713901.db2.gz BCASKSCBYKHKDW-OYHNWAKOSA-N 1 2 374.444 2.730 20 30 FFEDLO C[C@H]1Cc2ccccc2C[N@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000172927004 985713914 /nfs/dbraw/zinc/71/39/14/985713914.db2.gz BCASKSCBYKHKDW-OYHNWAKOSA-N 1 2 374.444 2.730 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001007359199 1015193642 /nfs/dbraw/zinc/19/36/42/1015193642.db2.gz CGWQDBAZTOAILC-GGPKGHCWSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001007359199 1015193646 /nfs/dbraw/zinc/19/36/46/1015193646.db2.gz CGWQDBAZTOAILC-GGPKGHCWSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CCc1ccsc1 ZINC001212410023 986284033 /nfs/dbraw/zinc/28/40/33/986284033.db2.gz MCQNCTJOKANJOR-RTBURBONSA-N 1 2 369.490 2.568 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CCc1ccsc1 ZINC001212410023 986284042 /nfs/dbraw/zinc/28/40/42/986284042.db2.gz MCQNCTJOKANJOR-RTBURBONSA-N 1 2 369.490 2.568 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ncc(CC)o1 ZINC001089228738 986620352 /nfs/dbraw/zinc/62/03/52/986620352.db2.gz MFLSFHYWNUOYLE-JQHSSLGASA-N 1 2 361.486 2.641 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ncc(CC)o1 ZINC001089228738 986620354 /nfs/dbraw/zinc/62/03/54/986620354.db2.gz MFLSFHYWNUOYLE-JQHSSLGASA-N 1 2 361.486 2.641 20 30 FFEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001108004977 986792317 /nfs/dbraw/zinc/79/23/17/986792317.db2.gz IQKMDRHCWUAQDW-HFSMHLIXSA-N 1 2 358.482 2.582 20 30 FFEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001108004977 986792324 /nfs/dbraw/zinc/79/23/24/986792324.db2.gz IQKMDRHCWUAQDW-HFSMHLIXSA-N 1 2 358.482 2.582 20 30 FFEDLO CC1(C)CCC[C@H](CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001078004203 986903313 /nfs/dbraw/zinc/90/33/13/986903313.db2.gz NGEFWOPHWHATJD-NJDAHSKKSA-N 1 2 368.521 2.806 20 30 FFEDLO CC1(C)CCC[C@H](CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001078004203 986903321 /nfs/dbraw/zinc/90/33/21/986903321.db2.gz NGEFWOPHWHATJD-NJDAHSKKSA-N 1 2 368.521 2.806 20 30 FFEDLO CC(C)c1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)s1 ZINC001078246247 987102444 /nfs/dbraw/zinc/10/24/44/987102444.db2.gz SEALDROVGBDBDI-IAGOWNOFSA-N 1 2 369.490 2.718 20 30 FFEDLO CC(C)c1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)s1 ZINC001078246247 987102446 /nfs/dbraw/zinc/10/24/46/987102446.db2.gz SEALDROVGBDBDI-IAGOWNOFSA-N 1 2 369.490 2.718 20 30 FFEDLO Cc1nc(NCC2([NH+]3CCCC3)COC2)c(C#N)c(C)c1Br ZINC001168452183 987264079 /nfs/dbraw/zinc/26/40/79/987264079.db2.gz ZZHCZNMHTGHTEV-UHFFFAOYSA-N 1 2 365.275 2.609 20 30 FFEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000914248525 987397531 /nfs/dbraw/zinc/39/75/31/987397531.db2.gz SZVPTBFWTXLOEL-LIRRHRJNSA-N 1 2 372.494 2.785 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H](C)C(C)(C)C ZINC001212469704 987528172 /nfs/dbraw/zinc/52/81/72/987528172.db2.gz JPJOLOZXKNHEDK-KFKAGJAMSA-N 1 2 360.473 2.675 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H](C)C(C)(C)C ZINC001212469704 987528174 /nfs/dbraw/zinc/52/81/74/987528174.db2.gz JPJOLOZXKNHEDK-KFKAGJAMSA-N 1 2 360.473 2.675 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001002846754 987529995 /nfs/dbraw/zinc/52/99/95/987529995.db2.gz KKWUEYXZNXTGRO-MSOLQXFVSA-N 1 2 359.470 2.614 20 30 FFEDLO O=C(CC1CCCCCC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083816913 987763799 /nfs/dbraw/zinc/76/37/99/987763799.db2.gz BYBJEYSSJYJXBC-RTWAWAEBSA-N 1 2 354.494 2.560 20 30 FFEDLO O=C(CC1CCCCCC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083816913 987763803 /nfs/dbraw/zinc/76/38/03/987763803.db2.gz BYBJEYSSJYJXBC-RTWAWAEBSA-N 1 2 354.494 2.560 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC001003787613 988295182 /nfs/dbraw/zinc/29/51/82/988295182.db2.gz HTPFRZHYXGJGFE-OALUTQOASA-N 1 2 360.502 2.526 20 30 FFEDLO N#Cc1ccc(NCCNc2[nH+]cnc3c2cnn3-c2ccccc2)nc1 ZINC000915213788 988300287 /nfs/dbraw/zinc/30/02/87/988300287.db2.gz OCTNDWCYQOWORU-UHFFFAOYSA-N 1 2 356.393 2.606 20 30 FFEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@]12CCC[C@H]1OCC2 ZINC001007914001 1015419541 /nfs/dbraw/zinc/41/95/41/1015419541.db2.gz QWXRZEYRVDJWKP-VWPQPMDRSA-N 1 2 370.468 2.717 20 30 FFEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@]12CCC[C@H]1OCC2 ZINC001007914001 1015419544 /nfs/dbraw/zinc/41/95/44/1015419544.db2.gz QWXRZEYRVDJWKP-VWPQPMDRSA-N 1 2 370.468 2.717 20 30 FFEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001007969112 1015436007 /nfs/dbraw/zinc/43/60/07/1015436007.db2.gz AMAFOYUEFYRXBC-ZIBCJSCZSA-N 1 2 370.468 2.573 20 30 FFEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001007969112 1015436013 /nfs/dbraw/zinc/43/60/13/1015436013.db2.gz AMAFOYUEFYRXBC-ZIBCJSCZSA-N 1 2 370.468 2.573 20 30 FFEDLO CO[C@H]1C[C@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)Cc3cccnc3N2C1 ZINC000879267954 1015447626 /nfs/dbraw/zinc/44/76/26/1015447626.db2.gz BHPXGFQWIRHCIF-ROUUACIJSA-N 1 2 352.413 2.702 20 30 FFEDLO CO[C@H]1C[C@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)Cc3cccnc3N2C1 ZINC000879267954 1015447634 /nfs/dbraw/zinc/44/76/34/1015447634.db2.gz BHPXGFQWIRHCIF-ROUUACIJSA-N 1 2 352.413 2.702 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1Cc2cccnc2N2C[C@@H](OC)C[C@@H]2C1 ZINC000879269170 1015449139 /nfs/dbraw/zinc/44/91/39/1015449139.db2.gz JMRGIXRPCKGBJW-MOPGFXCFSA-N 1 2 364.449 2.571 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1Cc2cccnc2N2C[C@@H](OC)C[C@@H]2C1 ZINC000879269170 1015449146 /nfs/dbraw/zinc/44/91/46/1015449146.db2.gz JMRGIXRPCKGBJW-MOPGFXCFSA-N 1 2 364.449 2.571 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000132811775 989325110 /nfs/dbraw/zinc/32/51/10/989325110.db2.gz DTRXHWCWOFINDR-UXHICEINSA-N 1 2 357.404 2.881 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ccc(F)cc3F)C[C@@H]2O)CC1 ZINC001083751174 989973404 /nfs/dbraw/zinc/97/34/04/989973404.db2.gz JSGJEHFOUCAHFM-BKTGTZMESA-N 1 2 364.436 2.934 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ccc(F)cc3F)C[C@@H]2O)CC1 ZINC001083751174 989973410 /nfs/dbraw/zinc/97/34/10/989973410.db2.gz JSGJEHFOUCAHFM-BKTGTZMESA-N 1 2 364.436 2.934 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879498025 1015562297 /nfs/dbraw/zinc/56/22/97/1015562297.db2.gz KUQNQUFFAVXXLL-MAUKXSAKSA-N 1 2 361.449 2.765 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879498025 1015562302 /nfs/dbraw/zinc/56/23/02/1015562302.db2.gz KUQNQUFFAVXXLL-MAUKXSAKSA-N 1 2 361.449 2.765 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000154749254 990427018 /nfs/dbraw/zinc/42/70/18/990427018.db2.gz QSOUORIWJFDHTE-UHFFFAOYSA-N 1 2 356.514 2.725 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879498023 1015562869 /nfs/dbraw/zinc/56/28/69/1015562869.db2.gz KUQNQUFFAVXXLL-CRAIPNDOSA-N 1 2 361.449 2.765 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879498023 1015562878 /nfs/dbraw/zinc/56/28/78/1015562878.db2.gz KUQNQUFFAVXXLL-CRAIPNDOSA-N 1 2 361.449 2.765 20 30 FFEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001035400757 990460564 /nfs/dbraw/zinc/46/05/64/990460564.db2.gz RTWVTGHVSABTJP-AQNXPRMDSA-N 1 2 358.482 2.547 20 30 FFEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001035400757 990460567 /nfs/dbraw/zinc/46/05/67/990460567.db2.gz RTWVTGHVSABTJP-AQNXPRMDSA-N 1 2 358.482 2.547 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(CC)[nH+]c(C)n1 ZINC001062042412 990668607 /nfs/dbraw/zinc/66/86/07/990668607.db2.gz BATHLQXVMKDDQY-HCXYKTFWSA-N 1 2 370.497 2.508 20 30 FFEDLO CC#CCCCC(=O)NC[C@H]1CCCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001487133163 990958444 /nfs/dbraw/zinc/95/84/44/990958444.db2.gz MQJIVFOOKPDUHO-KZNAEPCWSA-N 1 2 370.497 2.594 20 30 FFEDLO CC#CCCCC(=O)NC[C@H]1CCCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001487133163 990958455 /nfs/dbraw/zinc/95/84/55/990958455.db2.gz MQJIVFOOKPDUHO-KZNAEPCWSA-N 1 2 370.497 2.594 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N(C)C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)O1 ZINC001006027651 991030484 /nfs/dbraw/zinc/03/04/84/991030484.db2.gz BKIBFWUQFPEWAX-AUUYWEPGSA-N 1 2 359.445 2.688 20 30 FFEDLO N#Cc1cccnc1NCCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001063341703 991457324 /nfs/dbraw/zinc/45/73/24/991457324.db2.gz NDXUXXWUQLDOCF-IAGOWNOFSA-N 1 2 364.453 2.521 20 30 FFEDLO N#Cc1cccnc1NCCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001063341703 991457330 /nfs/dbraw/zinc/45/73/30/991457330.db2.gz NDXUXXWUQLDOCF-IAGOWNOFSA-N 1 2 364.453 2.521 20 30 FFEDLO Cc1ccc(C#N)c(N[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)n1 ZINC001063412037 991475444 /nfs/dbraw/zinc/47/54/44/991475444.db2.gz WGLJZZUBQSMXSV-QBPKDAKJSA-N 1 2 364.453 2.628 20 30 FFEDLO Cc1ccc(C#N)c(N[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)n1 ZINC001063412037 991475450 /nfs/dbraw/zinc/47/54/50/991475450.db2.gz WGLJZZUBQSMXSV-QBPKDAKJSA-N 1 2 364.453 2.628 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879689159 1015640233 /nfs/dbraw/zinc/64/02/33/1015640233.db2.gz KUQNQUFFAVXXLL-QAPCUYQASA-N 1 2 361.449 2.765 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879689159 1015640239 /nfs/dbraw/zinc/64/02/39/1015640239.db2.gz KUQNQUFFAVXXLL-QAPCUYQASA-N 1 2 361.449 2.765 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(CNc2cc[nH+]c(C)n2)cc1 ZINC001063426349 991481304 /nfs/dbraw/zinc/48/13/04/991481304.db2.gz LOWKCKNUNITQHG-ICSRJNTNSA-N 1 2 366.465 2.995 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(C1)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001064589462 991651794 /nfs/dbraw/zinc/65/17/94/991651794.db2.gz IHHKEGRMTQUBIG-HKUYNNGSSA-N 1 2 370.497 2.585 20 30 FFEDLO Cc1oc(C(C)C)cc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083907430 991684482 /nfs/dbraw/zinc/68/44/82/991684482.db2.gz UGJZDYSMFYVEAG-MOPGFXCFSA-N 1 2 367.449 2.558 20 30 FFEDLO Cc1oc(C(C)C)cc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083907430 991684487 /nfs/dbraw/zinc/68/44/87/991684487.db2.gz UGJZDYSMFYVEAG-MOPGFXCFSA-N 1 2 367.449 2.558 20 30 FFEDLO COc1ccc(CON=C(N)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1F ZINC000181844658 991902184 /nfs/dbraw/zinc/90/21/84/991902184.db2.gz HUECTAUMOFWAMB-LJQANCHMSA-N 1 2 373.428 2.524 20 30 FFEDLO COc1ccc(CON=C(N)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1F ZINC000181844658 991902194 /nfs/dbraw/zinc/90/21/94/991902194.db2.gz HUECTAUMOFWAMB-LJQANCHMSA-N 1 2 373.428 2.524 20 30 FFEDLO Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2ccccc2F)oc1C ZINC001079287336 991975733 /nfs/dbraw/zinc/97/57/33/991975733.db2.gz ZNJCQDQOCYWXQQ-PZPSRYQVSA-N 1 2 370.428 2.674 20 30 FFEDLO Cc1cccc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)n1 ZINC001079431998 992111876 /nfs/dbraw/zinc/11/18/76/992111876.db2.gz PGTOEJVVTRZFAI-BFUOFWGJSA-N 1 2 352.413 2.651 20 30 FFEDLO Cc1cccc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)n1 ZINC001079431998 992111882 /nfs/dbraw/zinc/11/18/82/992111882.db2.gz PGTOEJVVTRZFAI-BFUOFWGJSA-N 1 2 352.413 2.651 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)n1cccc1 ZINC001079581673 992224310 /nfs/dbraw/zinc/22/43/10/992224310.db2.gz YFAMOUAFQKFTDO-SPYBWZPUSA-N 1 2 354.429 2.697 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)n1cccc1 ZINC001079581673 992224323 /nfs/dbraw/zinc/22/43/23/992224323.db2.gz YFAMOUAFQKFTDO-SPYBWZPUSA-N 1 2 354.429 2.697 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1cc[nH]c(=O)c1 ZINC001079563193 992233439 /nfs/dbraw/zinc/23/34/39/992233439.db2.gz VIUGAGRZTMFTCR-RDTXWAMCSA-N 1 2 369.852 2.542 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1cc[nH]c(=O)c1 ZINC001079563193 992233445 /nfs/dbraw/zinc/23/34/45/992233445.db2.gz VIUGAGRZTMFTCR-RDTXWAMCSA-N 1 2 369.852 2.542 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001079855713 992494630 /nfs/dbraw/zinc/49/46/30/992494630.db2.gz NDSVORZSGFPJFP-SJLPKXTDSA-N 1 2 355.486 2.702 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001079855713 992494635 /nfs/dbraw/zinc/49/46/35/992494635.db2.gz NDSVORZSGFPJFP-SJLPKXTDSA-N 1 2 355.486 2.702 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001079849810 992532523 /nfs/dbraw/zinc/53/25/23/992532523.db2.gz AOEBKGZKQGIGHN-GDBMZVCRSA-N 1 2 354.454 2.790 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001079849810 992532532 /nfs/dbraw/zinc/53/25/32/992532532.db2.gz AOEBKGZKQGIGHN-GDBMZVCRSA-N 1 2 354.454 2.790 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC001008796217 1015715011 /nfs/dbraw/zinc/71/50/11/1015715011.db2.gz UZKZIDJXVBVCPT-QYZOEREBSA-N 1 2 361.461 2.673 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC001008796217 1015715018 /nfs/dbraw/zinc/71/50/18/1015715018.db2.gz UZKZIDJXVBVCPT-QYZOEREBSA-N 1 2 361.461 2.673 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)c(C)s1 ZINC001079942617 992613463 /nfs/dbraw/zinc/61/34/63/992613463.db2.gz DHAPRZPJXARACD-SJKOYZFVSA-N 1 2 354.479 2.882 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)c(C)s1 ZINC001079942617 992613466 /nfs/dbraw/zinc/61/34/66/992613466.db2.gz DHAPRZPJXARACD-SJKOYZFVSA-N 1 2 354.479 2.882 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106970392 992675460 /nfs/dbraw/zinc/67/54/60/992675460.db2.gz YJFWOGCOGSBCIK-WMZOPIPTSA-N 1 2 358.486 2.904 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC001080088801 992694568 /nfs/dbraw/zinc/69/45/68/992694568.db2.gz KUNNAQYNCIFKRK-BXKDBHETSA-N 1 2 360.683 2.637 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC001080088801 992694573 /nfs/dbraw/zinc/69/45/73/992694573.db2.gz KUNNAQYNCIFKRK-BXKDBHETSA-N 1 2 360.683 2.637 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001032040874 992740487 /nfs/dbraw/zinc/74/04/87/992740487.db2.gz YQRREZXPFQHJME-ICSRJNTNSA-N 1 2 371.456 2.617 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(=O)Nc3ccc(CC)cc3)C[C@H]2C)C1 ZINC001080404411 993032273 /nfs/dbraw/zinc/03/22/73/993032273.db2.gz GTKGPMMLNABYFP-VQIMIIECSA-N 1 2 369.509 2.980 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(=O)Nc3ccc(CC)cc3)C[C@H]2C)C1 ZINC001080404411 993032280 /nfs/dbraw/zinc/03/22/80/993032280.db2.gz GTKGPMMLNABYFP-VQIMIIECSA-N 1 2 369.509 2.980 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3nc(-c4ccco4)no3)C[C@H]2C)C1 ZINC001080404488 993032626 /nfs/dbraw/zinc/03/26/26/993032626.db2.gz KGSXHUIMMVPAHO-ZIAGYGMSSA-N 1 2 356.426 2.622 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3nc(-c4ccco4)no3)C[C@H]2C)C1 ZINC001080404488 993032630 /nfs/dbraw/zinc/03/26/30/993032630.db2.gz KGSXHUIMMVPAHO-ZIAGYGMSSA-N 1 2 356.426 2.622 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC001080487963 993096518 /nfs/dbraw/zinc/09/65/18/993096518.db2.gz WQVHXFCHILVPSQ-QMTHXVAHSA-N 1 2 371.250 2.793 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC001080487963 993096524 /nfs/dbraw/zinc/09/65/24/993096524.db2.gz WQVHXFCHILVPSQ-QMTHXVAHSA-N 1 2 371.250 2.793 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC000943731493 993102992 /nfs/dbraw/zinc/10/29/92/993102992.db2.gz JAXOXAFQTKVJGW-BRSBDYLESA-N 1 2 370.497 2.803 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC000943731493 993102998 /nfs/dbraw/zinc/10/29/98/993102998.db2.gz JAXOXAFQTKVJGW-BRSBDYLESA-N 1 2 370.497 2.803 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1coc(C2CC2)n1 ZINC001080568868 993148787 /nfs/dbraw/zinc/14/87/87/993148787.db2.gz IWZLRZSYONTIPQ-CXAGYDPISA-N 1 2 350.422 2.674 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1coc(C2CC2)n1 ZINC001080568868 993148789 /nfs/dbraw/zinc/14/87/89/993148789.db2.gz IWZLRZSYONTIPQ-CXAGYDPISA-N 1 2 350.422 2.674 20 30 FFEDLO COc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)o1 ZINC001080661754 993255721 /nfs/dbraw/zinc/25/57/21/993255721.db2.gz JKEQFQCUIJSJNN-MLGOLLRUSA-N 1 2 357.385 2.549 20 30 FFEDLO COc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)o1 ZINC001080661754 993255729 /nfs/dbraw/zinc/25/57/29/993255729.db2.gz JKEQFQCUIJSJNN-MLGOLLRUSA-N 1 2 357.385 2.549 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C=C1CCCCC1 ZINC001081417984 993826525 /nfs/dbraw/zinc/82/65/25/993826525.db2.gz AHOZTDKXXYICJD-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C=C1CCCCC1 ZINC001081417984 993826531 /nfs/dbraw/zinc/82/65/31/993826531.db2.gz AHOZTDKXXYICJD-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO COc1cc2c(cc1OC)C(C)(C)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC2 ZINC000880390869 1015824184 /nfs/dbraw/zinc/82/41/84/1015824184.db2.gz XBUZHRGFHPGKRI-OAQYLSRUSA-N 1 2 371.481 2.605 20 30 FFEDLO COc1cc2c(cc1OC)C(C)(C)[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC2 ZINC000880390869 1015824188 /nfs/dbraw/zinc/82/41/88/1015824188.db2.gz XBUZHRGFHPGKRI-OAQYLSRUSA-N 1 2 371.481 2.605 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[C@@H]1CC=CCC1 ZINC001082029147 994126035 /nfs/dbraw/zinc/12/60/35/994126035.db2.gz JUADVDPFIMRUEH-CDHQVMDDSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[C@@H]1CC=CCC1 ZINC001082029147 994126037 /nfs/dbraw/zinc/12/60/37/994126037.db2.gz JUADVDPFIMRUEH-CDHQVMDDSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CCC(C)(C)C1 ZINC001082110625 994192270 /nfs/dbraw/zinc/19/22/70/994192270.db2.gz AFMGZCAQTFLRKC-IAOVAPTHSA-N 1 2 361.511 2.761 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CCC(C)(C)C1 ZINC001082110625 994192274 /nfs/dbraw/zinc/19/22/74/994192274.db2.gz AFMGZCAQTFLRKC-IAOVAPTHSA-N 1 2 361.511 2.761 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001082114868 994197974 /nfs/dbraw/zinc/19/79/74/994197974.db2.gz UJFMFHNMJZIDPJ-SFFNPBHPSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001082114868 994197978 /nfs/dbraw/zinc/19/79/78/994197978.db2.gz UJFMFHNMJZIDPJ-SFFNPBHPSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1c(C)cccc1C ZINC001082164036 994237033 /nfs/dbraw/zinc/23/70/33/994237033.db2.gz RYOFKUAHFZEFDG-NHCUHLMSSA-N 1 2 362.473 2.784 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1c(C)cccc1C ZINC001082164036 994237043 /nfs/dbraw/zinc/23/70/43/994237043.db2.gz RYOFKUAHFZEFDG-NHCUHLMSSA-N 1 2 362.473 2.784 20 30 FFEDLO C=CCN(C(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(C)C ZINC000808784090 994262315 /nfs/dbraw/zinc/26/23/15/994262315.db2.gz PXIODETXPZLLFL-IBGZPJMESA-N 1 2 368.481 2.780 20 30 FFEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000880480909 1015847714 /nfs/dbraw/zinc/84/77/14/1015847714.db2.gz CFVYOCAYXCMSHH-UHFFFAOYSA-N 1 2 373.453 2.738 20 30 FFEDLO C#CC[C@@]1(C(=O)NCCCCn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000809620814 994559329 /nfs/dbraw/zinc/55/93/29/994559329.db2.gz VVQWHORKWGPMPF-FQEVSTJZSA-N 1 2 374.485 2.573 20 30 FFEDLO C#Cc1ccc(CN2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000809785497 994613044 /nfs/dbraw/zinc/61/30/44/994613044.db2.gz VDCBZAIORZZBAE-HXUWFJFHSA-N 1 2 369.509 2.795 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CCC)no2)C1 ZINC001082533145 994837672 /nfs/dbraw/zinc/83/76/72/994837672.db2.gz HZYOWZORHREAHQ-DGCLKSJQSA-N 1 2 354.882 2.737 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)c3ccc(C#N)s3)C2)cc1 ZINC001132383541 994866170 /nfs/dbraw/zinc/86/61/70/994866170.db2.gz ZOVBSKWZKLNUDP-MRXNPFEDSA-N 1 2 355.463 2.559 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)c3ccc(C#N)s3)C2)cc1 ZINC001132383541 994866177 /nfs/dbraw/zinc/86/61/77/994866177.db2.gz ZOVBSKWZKLNUDP-MRXNPFEDSA-N 1 2 355.463 2.559 20 30 FFEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCO[C@H]1C(C)C ZINC001054042367 1015931197 /nfs/dbraw/zinc/93/11/97/1015931197.db2.gz XEZYQQWOLFAWJB-ACRUOGEOSA-N 1 2 354.494 2.614 20 30 FFEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCO[C@H]1C(C)C ZINC001054042367 1015931206 /nfs/dbraw/zinc/93/12/06/1015931206.db2.gz XEZYQQWOLFAWJB-ACRUOGEOSA-N 1 2 354.494 2.614 20 30 FFEDLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@](C)(C#N)C2)CN1C(=O)OC(C)(C)C ZINC001170650999 995303410 /nfs/dbraw/zinc/30/34/10/995303410.db2.gz FPQUVXDXPXSDCY-ZRGWGRIASA-N 1 2 365.474 2.553 20 30 FFEDLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@](C)(C#N)C2)CN1C(=O)OC(C)(C)C ZINC001170650999 995303414 /nfs/dbraw/zinc/30/34/14/995303414.db2.gz FPQUVXDXPXSDCY-ZRGWGRIASA-N 1 2 365.474 2.553 20 30 FFEDLO CC(=O)Nc1cccc(NC(=O)CO[NH+]=C(N)Cc2ccc(Cl)cc2)c1 ZINC000106067341 995606986 /nfs/dbraw/zinc/60/69/86/995606986.db2.gz USHYPTLEZJSAOO-UHFFFAOYSA-N 1 2 374.828 2.768 20 30 FFEDLO COc1c(C)c[nH+]c(CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c1C ZINC000728166368 996160843 /nfs/dbraw/zinc/16/08/43/996160843.db2.gz FNJIYFLEKNLEHL-IBGZPJMESA-N 1 2 364.449 2.864 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@H+](Cc1ocnc1C)C2 ZINC001054283404 1016022726 /nfs/dbraw/zinc/02/27/26/1016022726.db2.gz ZBXAVBBMEFDDGR-MOPGFXCFSA-N 1 2 367.449 2.706 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](Cc1ocnc1C)C2 ZINC001054283404 1016022733 /nfs/dbraw/zinc/02/27/33/1016022733.db2.gz ZBXAVBBMEFDDGR-MOPGFXCFSA-N 1 2 367.449 2.706 20 30 FFEDLO O=C(c1ccncc1F)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084248963 996353941 /nfs/dbraw/zinc/35/39/41/996353941.db2.gz CUSVNZNUCFTPDC-OXQOHEQNSA-N 1 2 367.399 2.558 20 30 FFEDLO O=C(c1ccncc1F)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084248963 996353944 /nfs/dbraw/zinc/35/39/44/996353944.db2.gz CUSVNZNUCFTPDC-OXQOHEQNSA-N 1 2 367.399 2.558 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(Cl)s4)C[C@H]32)c1 ZINC001084261634 996406660 /nfs/dbraw/zinc/40/66/60/996406660.db2.gz QOENWARJXAWSBW-IUODEOHRSA-N 1 2 360.870 2.948 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(Cl)s4)C[C@H]32)c1 ZINC001084261634 996406664 /nfs/dbraw/zinc/40/66/64/996406664.db2.gz QOENWARJXAWSBW-IUODEOHRSA-N 1 2 360.870 2.948 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4ccccc4)[C@@H]3C2)c1 ZINC001084459542 996569964 /nfs/dbraw/zinc/56/99/64/996569964.db2.gz NXKBSDCNHOTYGH-WIYYLYMNSA-N 1 2 363.436 2.973 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4ccccc4)[C@@H]3C2)c1 ZINC001084459542 996569967 /nfs/dbraw/zinc/56/99/67/996569967.db2.gz NXKBSDCNHOTYGH-WIYYLYMNSA-N 1 2 363.436 2.973 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccsn4)[C@@H]3C2)ccc1F ZINC001084438923 996589878 /nfs/dbraw/zinc/58/98/78/996589878.db2.gz FXDBIWDUURFDCV-CXAGYDPISA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccsn4)[C@@H]3C2)ccc1F ZINC001084438923 996589884 /nfs/dbraw/zinc/58/98/84/996589884.db2.gz FXDBIWDUURFDCV-CXAGYDPISA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC4(F)F)[C@@H]3C2)c1 ZINC001084440132 996592749 /nfs/dbraw/zinc/59/27/49/996592749.db2.gz BWGKYEZQHWACMS-UKPHBRMFSA-N 1 2 363.383 2.775 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC4(F)F)[C@@H]3C2)c1 ZINC001084440132 996592754 /nfs/dbraw/zinc/59/27/54/996592754.db2.gz BWGKYEZQHWACMS-UKPHBRMFSA-N 1 2 363.383 2.775 20 30 FFEDLO C=CCOC[C@H]1c2nnn(CC)c2CCN1Cc1[nH+]c2ccccn2c1C ZINC001137269723 1016057650 /nfs/dbraw/zinc/05/76/50/1016057650.db2.gz XMRWBTFAYNFPKW-SFHVURJKSA-N 1 2 366.469 2.556 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001084630849 996736646 /nfs/dbraw/zinc/73/66/46/996736646.db2.gz XKWROLMQJLBQNS-BLIXFSHQSA-N 1 2 355.482 2.760 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001084630849 996736648 /nfs/dbraw/zinc/73/66/48/996736648.db2.gz XKWROLMQJLBQNS-BLIXFSHQSA-N 1 2 355.482 2.760 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084670136 996808081 /nfs/dbraw/zinc/80/80/81/996808081.db2.gz BQKALFUJZQENGI-QOJCHSLYSA-N 1 2 372.896 2.649 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084670136 996808092 /nfs/dbraw/zinc/80/80/92/996808092.db2.gz BQKALFUJZQENGI-QOJCHSLYSA-N 1 2 372.896 2.649 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4ccco4)[C@@H]3C2)c1 ZINC001084733681 997129874 /nfs/dbraw/zinc/12/98/74/997129874.db2.gz AOIHBJHGMRYQFV-DNVCBOLYSA-N 1 2 353.397 2.566 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4ccco4)[C@@H]3C2)c1 ZINC001084733681 997129881 /nfs/dbraw/zinc/12/98/81/997129881.db2.gz AOIHBJHGMRYQFV-DNVCBOLYSA-N 1 2 353.397 2.566 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(OC)cc3OC)[C@@H]2C1 ZINC001084795057 997416076 /nfs/dbraw/zinc/41/60/76/997416076.db2.gz JMPQBYOOCXARNH-CZUORRHYSA-N 1 2 350.846 2.603 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(OC)cc3OC)[C@@H]2C1 ZINC001084795057 997416079 /nfs/dbraw/zinc/41/60/79/997416079.db2.gz JMPQBYOOCXARNH-CZUORRHYSA-N 1 2 350.846 2.603 20 30 FFEDLO N#Cc1c(NC(=O)[C@H]2[C@@H](O)CC[N@@H+]2Cc2ccccc2)sc2c1CCC2 ZINC001143659418 997491985 /nfs/dbraw/zinc/49/19/85/997491985.db2.gz WGBKXSXCGADZFD-FUHWJXTLSA-N 1 2 367.474 2.682 20 30 FFEDLO N#Cc1c(NC(=O)[C@H]2[C@@H](O)CC[N@H+]2Cc2ccccc2)sc2c1CCC2 ZINC001143659418 997491990 /nfs/dbraw/zinc/49/19/90/997491990.db2.gz WGBKXSXCGADZFD-FUHWJXTLSA-N 1 2 367.474 2.682 20 30 FFEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC(OCC(=O)N2CCCC2)CC1 ZINC001143732552 997587515 /nfs/dbraw/zinc/58/75/15/997587515.db2.gz RSHYGGDICKHFSE-UHFFFAOYSA-N 1 2 361.873 2.815 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC001084889149 997875056 /nfs/dbraw/zinc/87/50/56/997875056.db2.gz TVAKKXCEWQCDFM-KUHUBIRLSA-N 1 2 352.413 2.762 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC001084889149 997875068 /nfs/dbraw/zinc/87/50/68/997875068.db2.gz TVAKKXCEWQCDFM-KUHUBIRLSA-N 1 2 352.413 2.762 20 30 FFEDLO C=CC[C@H](C)C(=O)N1CC[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001144017853 997938493 /nfs/dbraw/zinc/93/84/93/997938493.db2.gz NOWOTWRRWOTBTC-YXJHDRRASA-N 1 2 363.527 2.713 20 30 FFEDLO C=CC[C@H](C)C(=O)N1CC[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001144017853 997938497 /nfs/dbraw/zinc/93/84/97/997938497.db2.gz NOWOTWRRWOTBTC-YXJHDRRASA-N 1 2 363.527 2.713 20 30 FFEDLO N#CCc1cccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000881155439 1016186624 /nfs/dbraw/zinc/18/66/24/1016186624.db2.gz XEQKWXYQRJBQDA-UHFFFAOYSA-N 1 2 350.426 2.855 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1coc(C2CC2)n1 ZINC001049732605 1016215455 /nfs/dbraw/zinc/21/54/55/1016215455.db2.gz OLFOZKFHFRDFFJ-XWSJACJDSA-N 1 2 371.481 2.708 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1coc(C2CC2)n1 ZINC001049732605 1016215463 /nfs/dbraw/zinc/21/54/63/1016215463.db2.gz OLFOZKFHFRDFFJ-XWSJACJDSA-N 1 2 371.481 2.708 20 30 FFEDLO Cc1ccc[n+](C(C(=S)NC2CC2)C(=O)C2C=CC(=NC(N)=O)C=C2)c1 ZINC000732177500 998524500 /nfs/dbraw/zinc/52/45/00/998524500.db2.gz NBGWQGHCJNHMCL-UHFFFAOYSA-O 1 2 369.470 2.548 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001085006184 998659063 /nfs/dbraw/zinc/65/90/63/998659063.db2.gz BYSCJDVDPBYOHQ-WBVHZDCISA-N 1 2 357.502 2.556 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001085006184 998659068 /nfs/dbraw/zinc/65/90/68/998659068.db2.gz BYSCJDVDPBYOHQ-WBVHZDCISA-N 1 2 357.502 2.556 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001085023988 998701615 /nfs/dbraw/zinc/70/16/15/998701615.db2.gz KMGISEDFQFKSEA-KPFFTGBYSA-N 1 2 359.518 2.632 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001085023988 998701623 /nfs/dbraw/zinc/70/16/23/998701623.db2.gz KMGISEDFQFKSEA-KPFFTGBYSA-N 1 2 359.518 2.632 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC34CC4)C[C@@H]21 ZINC001085042941 998758739 /nfs/dbraw/zinc/75/87/39/998758739.db2.gz XJTCXVGXVTZRFR-ZMYBRWDISA-N 1 2 353.441 2.920 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC34CC4)C[C@@H]21 ZINC001085042941 998758741 /nfs/dbraw/zinc/75/87/41/998758741.db2.gz XJTCXVGXVTZRFR-ZMYBRWDISA-N 1 2 353.441 2.920 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3sc(COC)nc3C)C[C@@H]21 ZINC001085083680 998894746 /nfs/dbraw/zinc/89/47/46/998894746.db2.gz MYPLBHACEWAACE-KGLIPLIRSA-N 1 2 369.918 2.887 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3sc(COC)nc3C)C[C@@H]21 ZINC001085083680 998894747 /nfs/dbraw/zinc/89/47/47/998894747.db2.gz MYPLBHACEWAACE-KGLIPLIRSA-N 1 2 369.918 2.887 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CCN1Cc1c[nH+]c2ccc(C)cn12 ZINC001137308874 1016297706 /nfs/dbraw/zinc/29/77/06/1016297706.db2.gz KQQYHKNQFMEUDJ-SFHVURJKSA-N 1 2 351.454 2.678 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001085600015 999586489 /nfs/dbraw/zinc/58/64/89/999586489.db2.gz IARFGJGGJLYMTG-NSHGMRRFSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001085600015 999586492 /nfs/dbraw/zinc/58/64/92/999586492.db2.gz IARFGJGGJLYMTG-NSHGMRRFSA-N 1 2 371.456 2.711 20 30 FFEDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC000741249103 999715713 /nfs/dbraw/zinc/71/57/13/999715713.db2.gz RKJZKBQWCBXLHF-HXUWFJFHSA-N 1 2 350.418 2.989 20 30 FFEDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC000741249103 999715715 /nfs/dbraw/zinc/71/57/15/999715715.db2.gz RKJZKBQWCBXLHF-HXUWFJFHSA-N 1 2 350.418 2.989 20 30 FFEDLO CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c(C)n1 ZINC001097944862 1016355141 /nfs/dbraw/zinc/35/51/41/1016355141.db2.gz SUSJHMMKFHQQRR-RLLQIKCJSA-N 1 2 363.465 2.618 20 30 FFEDLO CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c(C)n1 ZINC001097944862 1016355153 /nfs/dbraw/zinc/35/51/53/1016355153.db2.gz SUSJHMMKFHQQRR-RLLQIKCJSA-N 1 2 363.465 2.618 20 30 FFEDLO Cc1ccc(C)c(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000745450795 999914631 /nfs/dbraw/zinc/91/46/31/999914631.db2.gz OWCBMTTVNUISLJ-UHFFFAOYSA-N 1 2 353.466 2.973 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c(F)cncc2F)C3)s1 ZINC001095475261 1016384916 /nfs/dbraw/zinc/38/49/16/1016384916.db2.gz ZHXDDYGIHNTGPI-VFVAKGGASA-N 1 2 374.416 2.828 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c(F)cncc2F)C3)s1 ZINC001095475261 1016384932 /nfs/dbraw/zinc/38/49/32/1016384932.db2.gz ZHXDDYGIHNTGPI-VFVAKGGASA-N 1 2 374.416 2.828 20 30 FFEDLO C#CCNC(=O)C[N@H+](Cc1ccccc1)[C@@H]1CCOc2ccc(OC)cc21 ZINC000741802300 1000122475 /nfs/dbraw/zinc/12/24/75/1000122475.db2.gz SSAULGHCBCRFAX-HXUWFJFHSA-N 1 2 364.445 2.770 20 30 FFEDLO C#CCNC(=O)C[N@@H+](Cc1ccccc1)[C@@H]1CCOc2ccc(OC)cc21 ZINC000741802300 1000122476 /nfs/dbraw/zinc/12/24/76/1000122476.db2.gz SSAULGHCBCRFAX-HXUWFJFHSA-N 1 2 364.445 2.770 20 30 FFEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nsc2ccccc12 ZINC001108951839 1000135935 /nfs/dbraw/zinc/13/59/35/1000135935.db2.gz HMRFUGHSUKATGD-INWMFGNUSA-N 1 2 372.519 2.775 20 30 FFEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nsc2ccccc12 ZINC001108951839 1000135936 /nfs/dbraw/zinc/13/59/36/1000135936.db2.gz HMRFUGHSUKATGD-INWMFGNUSA-N 1 2 372.519 2.775 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cc(C)cc(C)c1 ZINC001109046695 1000155665 /nfs/dbraw/zinc/15/56/65/1000155665.db2.gz WQAQFMGZRRDLJV-QYZOEREBSA-N 1 2 355.482 2.930 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cc(C)cc(C)c1 ZINC001109046695 1000155666 /nfs/dbraw/zinc/15/56/66/1000155666.db2.gz WQAQFMGZRRDLJV-QYZOEREBSA-N 1 2 355.482 2.930 20 30 FFEDLO CSC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109076045 1000162447 /nfs/dbraw/zinc/16/24/47/1000162447.db2.gz MRCFJOHBKZRJON-FXBSTXGRSA-N 1 2 361.486 2.918 20 30 FFEDLO CSC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109076045 1000162449 /nfs/dbraw/zinc/16/24/49/1000162449.db2.gz MRCFJOHBKZRJON-FXBSTXGRSA-N 1 2 361.486 2.918 20 30 FFEDLO CCCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109102873 1000165958 /nfs/dbraw/zinc/16/59/58/1000165958.db2.gz DLPIFPZANXTLAQ-NEWSRXKRSA-N 1 2 359.445 2.736 20 30 FFEDLO CCCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109102873 1000165961 /nfs/dbraw/zinc/16/59/61/1000165961.db2.gz DLPIFPZANXTLAQ-NEWSRXKRSA-N 1 2 359.445 2.736 20 30 FFEDLO CCCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109102838 1000165975 /nfs/dbraw/zinc/16/59/75/1000165975.db2.gz BZALJMYDDWEJIP-NEWSRXKRSA-N 1 2 359.445 2.736 20 30 FFEDLO CCCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109102838 1000165977 /nfs/dbraw/zinc/16/59/77/1000165977.db2.gz BZALJMYDDWEJIP-NEWSRXKRSA-N 1 2 359.445 2.736 20 30 FFEDLO CC(C)(C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109172790 1000181536 /nfs/dbraw/zinc/18/15/36/1000181536.db2.gz NNQADJJGLZTGIY-NJAFHUGGSA-N 1 2 359.445 2.734 20 30 FFEDLO CC(C)(C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109172790 1000181537 /nfs/dbraw/zinc/18/15/37/1000181537.db2.gz NNQADJJGLZTGIY-NJAFHUGGSA-N 1 2 359.445 2.734 20 30 FFEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001171211398 1000199366 /nfs/dbraw/zinc/19/93/66/1000199366.db2.gz ZCHLQDZXDUCJEH-QAPCUYQASA-N 1 2 359.470 2.715 20 30 FFEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001171211398 1000199367 /nfs/dbraw/zinc/19/93/67/1000199367.db2.gz ZCHLQDZXDUCJEH-QAPCUYQASA-N 1 2 359.470 2.715 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCC1 ZINC001109327512 1000292167 /nfs/dbraw/zinc/29/21/67/1000292167.db2.gz VXMOSSWHYLZTQM-AABGKKOBSA-N 1 2 373.541 2.925 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCC1 ZINC001109327512 1000292175 /nfs/dbraw/zinc/29/21/75/1000292175.db2.gz VXMOSSWHYLZTQM-AABGKKOBSA-N 1 2 373.541 2.925 20 30 FFEDLO CN(CC[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1)C(=O)OC(C)(C)C ZINC000768757648 1000340708 /nfs/dbraw/zinc/34/07/08/1000340708.db2.gz KEPLTXIKUHKCQC-UHFFFAOYSA-N 1 2 371.441 2.907 20 30 FFEDLO CN(CC[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1)C(=O)OC(C)(C)C ZINC000768757648 1000340712 /nfs/dbraw/zinc/34/07/12/1000340712.db2.gz KEPLTXIKUHKCQC-UHFFFAOYSA-N 1 2 371.441 2.907 20 30 FFEDLO COCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CCCC1 ZINC001109377957 1000350059 /nfs/dbraw/zinc/35/00/59/1000350059.db2.gz JZUVFFGXTZEFSZ-AABGKKOBSA-N 1 2 367.493 2.987 20 30 FFEDLO COCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CCCC1 ZINC001109377957 1000350062 /nfs/dbraw/zinc/35/00/62/1000350062.db2.gz JZUVFFGXTZEFSZ-AABGKKOBSA-N 1 2 367.493 2.987 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)nn1 ZINC000846856697 1000460260 /nfs/dbraw/zinc/46/02/60/1000460260.db2.gz RDQLTNZXFOTTTM-IBGZPJMESA-N 1 2 361.490 2.687 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)nn1 ZINC000846856697 1000460264 /nfs/dbraw/zinc/46/02/64/1000460264.db2.gz RDQLTNZXFOTTTM-IBGZPJMESA-N 1 2 361.490 2.687 20 30 FFEDLO CCOCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)CC1 ZINC001109465305 1000512498 /nfs/dbraw/zinc/51/24/98/1000512498.db2.gz VVKKEAAUPLROEG-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO CCOCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)CC1 ZINC001109465305 1000512506 /nfs/dbraw/zinc/51/25/06/1000512506.db2.gz VVKKEAAUPLROEG-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1 ZINC000847027517 1000523690 /nfs/dbraw/zinc/52/36/90/1000523690.db2.gz BRKFGICRSFFGSL-MRXNPFEDSA-N 1 2 351.450 2.630 20 30 FFEDLO C#C[C@@H]1CCC[N@H+](CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1 ZINC000847027517 1000523695 /nfs/dbraw/zinc/52/36/95/1000523695.db2.gz BRKFGICRSFFGSL-MRXNPFEDSA-N 1 2 351.450 2.630 20 30 FFEDLO COCC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109552810 1000639962 /nfs/dbraw/zinc/63/99/62/1000639962.db2.gz SWYUHVPUEMVENV-NEWSRXKRSA-N 1 2 373.472 2.982 20 30 FFEDLO COCC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109552810 1000639965 /nfs/dbraw/zinc/63/99/65/1000639965.db2.gz SWYUHVPUEMVENV-NEWSRXKRSA-N 1 2 373.472 2.982 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001109563153 1000647766 /nfs/dbraw/zinc/64/77/66/1000647766.db2.gz JTVUFAOIABJLKX-PASDCYSWSA-N 1 2 363.527 2.902 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001109563153 1000647769 /nfs/dbraw/zinc/64/77/69/1000647769.db2.gz JTVUFAOIABJLKX-PASDCYSWSA-N 1 2 363.527 2.902 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Oc1ccc(OC)cc1)C2 ZINC001109580703 1000671630 /nfs/dbraw/zinc/67/16/30/1000671630.db2.gz RXNRZVXLEXOOKN-DACLVMHWSA-N 1 2 364.873 2.937 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Oc1ccc(OC)cc1)C2 ZINC001109580703 1000671636 /nfs/dbraw/zinc/67/16/36/1000671636.db2.gz RXNRZVXLEXOOKN-DACLVMHWSA-N 1 2 364.873 2.937 20 30 FFEDLO CCC[C@@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109592228 1000689673 /nfs/dbraw/zinc/68/96/73/1000689673.db2.gz LOCNHPTUOHMLEG-XGXHKWSGSA-N 1 2 359.445 2.734 20 30 FFEDLO CCC[C@@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109592228 1000689678 /nfs/dbraw/zinc/68/96/78/1000689678.db2.gz LOCNHPTUOHMLEG-XGXHKWSGSA-N 1 2 359.445 2.734 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)c1ccco1 ZINC001109597794 1000702799 /nfs/dbraw/zinc/70/27/99/1000702799.db2.gz WYWMEJDBMFXLSK-NCOADZHNSA-N 1 2 373.497 2.781 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)c1ccco1 ZINC001109597794 1000702805 /nfs/dbraw/zinc/70/28/05/1000702805.db2.gz WYWMEJDBMFXLSK-NCOADZHNSA-N 1 2 373.497 2.781 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C1CCOCC1 ZINC001096685324 1016438845 /nfs/dbraw/zinc/43/88/45/1016438845.db2.gz WSIPSEWQRCPBBX-IDCXYZFESA-N 1 2 367.493 2.842 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C1CCOCC1 ZINC001096685324 1016438852 /nfs/dbraw/zinc/43/88/52/1016438852.db2.gz WSIPSEWQRCPBBX-IDCXYZFESA-N 1 2 367.493 2.842 20 30 FFEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnc(OC)nc2C)CC1 ZINC001109676082 1000818223 /nfs/dbraw/zinc/81/82/23/1000818223.db2.gz RCAIOOVKOBYHQR-SQNIBIBYSA-N 1 2 370.497 2.762 20 30 FFEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnc(OC)nc2C)CC1 ZINC001109676082 1000818228 /nfs/dbraw/zinc/81/82/28/1000818228.db2.gz RCAIOOVKOBYHQR-SQNIBIBYSA-N 1 2 370.497 2.762 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CC[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091626099 1000857152 /nfs/dbraw/zinc/85/71/52/1000857152.db2.gz ATVUJJQNZWJRMQ-HRCADAONSA-N 1 2 360.506 2.545 20 30 FFEDLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccns2)C3)cc1C#N ZINC001095485597 1016447184 /nfs/dbraw/zinc/44/71/84/1016447184.db2.gz FGNSHPFQIIZXOR-PMPSAXMXSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccns2)C3)cc1C#N ZINC001095485597 1016447194 /nfs/dbraw/zinc/44/71/94/1016447194.db2.gz FGNSHPFQIIZXOR-PMPSAXMXSA-N 1 2 368.462 2.559 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091626901 1000870666 /nfs/dbraw/zinc/87/06/66/1000870666.db2.gz QGXMJYOBPZHUOJ-QLFBSQMISA-N 1 2 356.474 2.662 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091630437 1000889516 /nfs/dbraw/zinc/88/95/16/1000889516.db2.gz OATHOQQDQCOMIK-UONOGXRCSA-N 1 2 356.474 2.662 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCC1 ZINC001109769719 1000976732 /nfs/dbraw/zinc/97/67/32/1000976732.db2.gz QGPWLVHLQIWATD-SQNIBIBYSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCC1 ZINC001109769719 1000976733 /nfs/dbraw/zinc/97/67/33/1000976733.db2.gz QGPWLVHLQIWATD-SQNIBIBYSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091656870 1000979243 /nfs/dbraw/zinc/97/92/43/1000979243.db2.gz VMNTZOBIIBAHOM-BPQIPLTHSA-N 1 2 368.485 2.527 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1nc(C)cc1C)C2 ZINC001109775086 1000985531 /nfs/dbraw/zinc/98/55/31/1000985531.db2.gz ZYVZHWAYMRZAAQ-IKGGRYGDSA-N 1 2 350.894 2.754 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1nc(C)cc1C)C2 ZINC001109775086 1000985535 /nfs/dbraw/zinc/98/55/35/1000985535.db2.gz ZYVZHWAYMRZAAQ-IKGGRYGDSA-N 1 2 350.894 2.754 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3ccnc3CC)C[C@]2(C)C1 ZINC001091684700 1001054659 /nfs/dbraw/zinc/05/46/59/1001054659.db2.gz LLRMUFQGMAZBOY-FCEWJHQRSA-N 1 2 364.921 2.929 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3ccnc3CC)C[C@]2(C)C1 ZINC001091684700 1001054663 /nfs/dbraw/zinc/05/46/63/1001054663.db2.gz LLRMUFQGMAZBOY-FCEWJHQRSA-N 1 2 364.921 2.929 20 30 FFEDLO C[C@]12CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2 ZINC001091691288 1001062468 /nfs/dbraw/zinc/06/24/68/1001062468.db2.gz QKHJSCZVYFNFKC-NUJGCVRESA-N 1 2 368.374 2.719 20 30 FFEDLO C[C@]12CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[N@@H+](CC#Cc1ccccc1)C2 ZINC001091691288 1001062470 /nfs/dbraw/zinc/06/24/70/1001062470.db2.gz QKHJSCZVYFNFKC-NUJGCVRESA-N 1 2 368.374 2.719 20 30 FFEDLO C[C@]12CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2 ZINC001091691288 1001062473 /nfs/dbraw/zinc/06/24/73/1001062473.db2.gz QKHJSCZVYFNFKC-NUJGCVRESA-N 1 2 368.374 2.719 20 30 FFEDLO C[C@]12CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C[N@@H+](CC#Cc1ccccc1)C2 ZINC001091691288 1001062475 /nfs/dbraw/zinc/06/24/75/1001062475.db2.gz QKHJSCZVYFNFKC-NUJGCVRESA-N 1 2 368.374 2.719 20 30 FFEDLO C=CC1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnnn2C)CCCCC1 ZINC001109834225 1001066225 /nfs/dbraw/zinc/06/62/25/1001066225.db2.gz RBXVBKRPFCJJCD-NJAFHUGGSA-N 1 2 357.502 2.563 20 30 FFEDLO C=CC1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnnn2C)CCCCC1 ZINC001109834225 1001066235 /nfs/dbraw/zinc/06/62/35/1001066235.db2.gz RBXVBKRPFCJJCD-NJAFHUGGSA-N 1 2 357.502 2.563 20 30 FFEDLO N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(Cl)c1 ZINC001110305284 1001899354 /nfs/dbraw/zinc/89/93/54/1001899354.db2.gz NLDPDAIZEDENJV-WQVCFCJDSA-N 1 2 367.877 2.957 20 30 FFEDLO N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(Cl)c1 ZINC001110305284 1001899368 /nfs/dbraw/zinc/89/93/68/1001899368.db2.gz NLDPDAIZEDENJV-WQVCFCJDSA-N 1 2 367.877 2.957 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[C@H]2CCCO2)C3)c1 ZINC001110310881 1001918658 /nfs/dbraw/zinc/91/86/58/1001918658.db2.gz HEPCASZXNXHMCO-LFGUQSLTSA-N 1 2 371.456 2.878 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[C@H]2CCCO2)C3)c1 ZINC001110310881 1001918661 /nfs/dbraw/zinc/91/86/61/1001918661.db2.gz HEPCASZXNXHMCO-LFGUQSLTSA-N 1 2 371.456 2.878 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1C ZINC001091949209 1002152201 /nfs/dbraw/zinc/15/22/01/1002152201.db2.gz KLFBHFKQAZTEKQ-IKGGRYGDSA-N 1 2 360.502 2.973 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@@H+]([C@@H](C)c4nnc(CC)[nH]4)C[C@@]3(C)C2)C1 ZINC001091996427 1002203043 /nfs/dbraw/zinc/20/30/43/1002203043.db2.gz UWXDKSIHFDURMF-MDOVXXIYSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+]([C@@H](C)c4nnc(CC)[nH]4)C[C@@]3(C)C2)C1 ZINC001091996427 1002203051 /nfs/dbraw/zinc/20/30/51/1002203051.db2.gz UWXDKSIHFDURMF-MDOVXXIYSA-N 1 2 357.502 2.565 20 30 FFEDLO Cn1nc2c(c1C[NH+]1CCN(c3ccc(F)cc3C#N)CC1)CCCC2 ZINC001183378816 1002263711 /nfs/dbraw/zinc/26/37/11/1002263711.db2.gz FMSDVWQVKYJJDF-UHFFFAOYSA-N 1 2 353.445 2.632 20 30 FFEDLO Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)n1 ZINC001096820567 1016596532 /nfs/dbraw/zinc/59/65/32/1016596532.db2.gz OZRWWOXEDHAZQY-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)n1 ZINC001096820567 1016596544 /nfs/dbraw/zinc/59/65/44/1016596544.db2.gz OZRWWOXEDHAZQY-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)[C@H](C#N)Cc2ccc(O)cc2)CC1 ZINC001183613297 1002336498 /nfs/dbraw/zinc/33/64/98/1002336498.db2.gz SPWZSBIWORELNE-KRWDZBQOSA-N 1 2 364.449 2.544 20 30 FFEDLO CC(C)c1ccc2ncc(C#N)c(N3CC[NH+](CC[S@](C)=O)CC3)c2c1 ZINC000774668559 1002359156 /nfs/dbraw/zinc/35/91/56/1002359156.db2.gz ZRBHLSRTCNZMJZ-SANMLTNESA-N 1 2 370.522 2.730 20 30 FFEDLO CC(C)(C)[C@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000790430274 1002375273 /nfs/dbraw/zinc/37/52/73/1002375273.db2.gz DIUCUKHFGPJORJ-CRAIPNDOSA-N 1 2 364.449 2.971 20 30 FFEDLO CC(C)(C)[C@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000790430274 1002375282 /nfs/dbraw/zinc/37/52/82/1002375282.db2.gz DIUCUKHFGPJORJ-CRAIPNDOSA-N 1 2 364.449 2.971 20 30 FFEDLO C[C@H]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3C#N)CC[C@H]2O1 ZINC001183829633 1002402416 /nfs/dbraw/zinc/40/24/16/1002402416.db2.gz XHCVZGQYNDYUHY-VRXWPRPYSA-N 1 2 367.493 2.939 20 30 FFEDLO C[C@H]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3C#N)CC[C@H]2O1 ZINC001183829633 1002402423 /nfs/dbraw/zinc/40/24/23/1002402423.db2.gz XHCVZGQYNDYUHY-VRXWPRPYSA-N 1 2 367.493 2.939 20 30 FFEDLO C=CC[C@@]1(C(=O)N2CC(n3cc[nH+]c3)C2)CCCN1C(=O)OC(C)(C)C ZINC000790642980 1002457046 /nfs/dbraw/zinc/45/70/46/1002457046.db2.gz QGAHNVMCYGVWLD-IBGZPJMESA-N 1 2 360.458 2.612 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](Nc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001096821794 1016651196 /nfs/dbraw/zinc/65/11/96/1016651196.db2.gz SBNAFKZCBOJSQJ-ZACQAIPSSA-N 1 2 358.486 2.806 20 30 FFEDLO CN(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc(C#N)cc1 ZINC001184742582 1002710724 /nfs/dbraw/zinc/71/07/24/1002710724.db2.gz HRVBSPFIJRJOSA-HXUWFJFHSA-N 1 2 364.449 2.923 20 30 FFEDLO CN(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc(C#N)cc1 ZINC001184742582 1002710736 /nfs/dbraw/zinc/71/07/36/1002710736.db2.gz HRVBSPFIJRJOSA-HXUWFJFHSA-N 1 2 364.449 2.923 20 30 FFEDLO C[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001092377866 1002757564 /nfs/dbraw/zinc/75/75/64/1002757564.db2.gz YUAZDNJMBFKVLL-HZPDHXFCSA-N 1 2 369.444 2.563 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110366319 1003015737 /nfs/dbraw/zinc/01/57/37/1003015737.db2.gz PGNKGDRDDFETBI-GVXRKXQCSA-N 1 2 371.456 2.900 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110366319 1003015746 /nfs/dbraw/zinc/01/57/46/1003015746.db2.gz PGNKGDRDDFETBI-GVXRKXQCSA-N 1 2 371.456 2.900 20 30 FFEDLO Cc1nc(N2C[C@@H](C)[C@H](CCNC(=O)C#CC3CC3)C2)c2c([nH+]1)CCCC2 ZINC001092512512 1003019701 /nfs/dbraw/zinc/01/97/01/1003019701.db2.gz UGBIJKQAXIQCJZ-CRAIPNDOSA-N 1 2 366.509 2.656 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCCc2ccccc21 ZINC001110371170 1003093414 /nfs/dbraw/zinc/09/34/14/1003093414.db2.gz DOVPFMRFWAPBDT-GGPKGHCWSA-N 1 2 367.493 2.654 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCCc2ccccc21 ZINC001110371170 1003093419 /nfs/dbraw/zinc/09/34/19/1003093419.db2.gz DOVPFMRFWAPBDT-GGPKGHCWSA-N 1 2 367.493 2.654 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(C3CC3)n1)C2 ZINC001097967472 1016730768 /nfs/dbraw/zinc/73/07/68/1016730768.db2.gz YIQRAWMDUMSESF-RLLQIKCJSA-N 1 2 373.460 2.761 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(C3CC3)n1)C2 ZINC001097967472 1016730779 /nfs/dbraw/zinc/73/07/79/1016730779.db2.gz YIQRAWMDUMSESF-RLLQIKCJSA-N 1 2 373.460 2.761 20 30 FFEDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1c(C#N)cnc2cc(Br)ccc21 ZINC001170342160 1003129287 /nfs/dbraw/zinc/12/92/87/1003129287.db2.gz BJQBZDDIEXLGJF-UHFFFAOYSA-N 1 2 372.226 2.570 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)o1 ZINC001096915187 1016730323 /nfs/dbraw/zinc/73/03/23/1016730323.db2.gz MOCRXIWJYZCCTH-NXHRZFHOSA-N 1 2 368.412 2.838 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)o1 ZINC001096915187 1016730332 /nfs/dbraw/zinc/73/03/32/1016730332.db2.gz MOCRXIWJYZCCTH-NXHRZFHOSA-N 1 2 368.412 2.838 20 30 FFEDLO C[NH+]1CCN(c2ccc(Nc3ccnc(C#N)c3)cc2Br)CC1 ZINC001186143869 1003198053 /nfs/dbraw/zinc/19/80/53/1003198053.db2.gz GRFQPPJGZNRKIZ-UHFFFAOYSA-N 1 2 372.270 2.633 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001490823469 1016742608 /nfs/dbraw/zinc/74/26/08/1016742608.db2.gz BTAZQRADAIZTPE-HPBDAGMYSA-N 1 2 372.513 2.777 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOc1ccc(OC)cc1)C2 ZINC001110099629 1003257769 /nfs/dbraw/zinc/25/77/69/1003257769.db2.gz WKNROMNOPROENU-JLSDUUJJSA-N 1 2 364.873 2.938 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOc1ccc(OC)cc1)C2 ZINC001110099629 1003257777 /nfs/dbraw/zinc/25/77/77/1003257777.db2.gz WKNROMNOPROENU-JLSDUUJJSA-N 1 2 364.873 2.938 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1cc(F)ccc1F ZINC001110385180 1003445326 /nfs/dbraw/zinc/44/53/26/1003445326.db2.gz PAVRCHVRLGHVTM-FOZNTRSISA-N 1 2 350.409 2.950 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1cc(F)ccc1F ZINC001110385180 1003445334 /nfs/dbraw/zinc/44/53/34/1003445334.db2.gz PAVRCHVRLGHVTM-FOZNTRSISA-N 1 2 350.409 2.950 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001092806605 1003557887 /nfs/dbraw/zinc/55/78/87/1003557887.db2.gz VDQSKFOHEVDSLG-RANZSIQMSA-N 1 2 358.486 2.609 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)c(OC)c1 ZINC001110390371 1003591422 /nfs/dbraw/zinc/59/14/22/1003591422.db2.gz KKLMVKCALQGMCO-OIISXLGYSA-N 1 2 364.873 2.773 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)c(OC)c1 ZINC001110390371 1003591424 /nfs/dbraw/zinc/59/14/24/1003591424.db2.gz KKLMVKCALQGMCO-OIISXLGYSA-N 1 2 364.873 2.773 20 30 FFEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CCCCCCCC)[C@@H](n2ccnn2)C1 ZINC001129449216 1003645372 /nfs/dbraw/zinc/64/53/72/1003645372.db2.gz JNLZIOACKAVNTE-OTWHNJEPSA-N 1 2 359.518 2.640 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CCCCCCCC)[C@@H](n2ccnn2)C1 ZINC001129449216 1003645377 /nfs/dbraw/zinc/64/53/77/1003645377.db2.gz JNLZIOACKAVNTE-OTWHNJEPSA-N 1 2 359.518 2.640 20 30 FFEDLO Cc1noc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)c1C ZINC001095592399 1016815424 /nfs/dbraw/zinc/81/54/24/1016815424.db2.gz STAXSBRGAOIAEV-QYZOEREBSA-N 1 2 367.424 2.817 20 30 FFEDLO Cc1noc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)c1C ZINC001095592399 1016815437 /nfs/dbraw/zinc/81/54/37/1016815437.db2.gz STAXSBRGAOIAEV-QYZOEREBSA-N 1 2 367.424 2.817 20 30 FFEDLO Cc1ccccc1[C@@H]1CN(S(=O)(=O)c2ccc(CCC#N)cc2)CC[NH2+]1 ZINC001196229699 1003721516 /nfs/dbraw/zinc/72/15/16/1003721516.db2.gz SLMYDELLOPFSLG-FQEVSTJZSA-N 1 2 369.490 2.786 20 30 FFEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001191676131 1003909874 /nfs/dbraw/zinc/90/98/74/1003909874.db2.gz GVIXIVBOUYENPD-KFKAGJAMSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001191676131 1003909877 /nfs/dbraw/zinc/90/98/77/1003909877.db2.gz GVIXIVBOUYENPD-KFKAGJAMSA-N 1 2 362.901 2.679 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(F)cn2)C3)c1 ZINC001096987955 1016839020 /nfs/dbraw/zinc/83/90/20/1016839020.db2.gz JBMOUCBUKVXADO-LZQZEXGQSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(F)cn2)C3)c1 ZINC001096987955 1016839036 /nfs/dbraw/zinc/83/90/36/1016839036.db2.gz JBMOUCBUKVXADO-LZQZEXGQSA-N 1 2 368.387 2.767 20 30 FFEDLO CC(C)(C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001197074758 1004073452 /nfs/dbraw/zinc/07/34/52/1004073452.db2.gz UVRDWDKHNAQHSC-QZTJIDSGSA-N 1 2 362.901 2.679 20 30 FFEDLO CC(C)(C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001197074758 1004073456 /nfs/dbraw/zinc/07/34/56/1004073456.db2.gz UVRDWDKHNAQHSC-QZTJIDSGSA-N 1 2 362.901 2.679 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)c1 ZINC001192236883 1004103987 /nfs/dbraw/zinc/10/39/87/1004103987.db2.gz BADMJLOXGCIHNI-MISYRCLQSA-N 1 2 367.493 2.575 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)c1 ZINC001192236883 1004103990 /nfs/dbraw/zinc/10/39/90/1004103990.db2.gz BADMJLOXGCIHNI-MISYRCLQSA-N 1 2 367.493 2.575 20 30 FFEDLO CCC[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001197220740 1004128632 /nfs/dbraw/zinc/12/86/32/1004128632.db2.gz IJEJWHDQFIAODB-GGPKGHCWSA-N 1 2 361.461 2.575 20 30 FFEDLO CCC[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001197220740 1004128642 /nfs/dbraw/zinc/12/86/42/1004128642.db2.gz IJEJWHDQFIAODB-GGPKGHCWSA-N 1 2 361.461 2.575 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC1CCCCC1 ZINC001110494307 1004332895 /nfs/dbraw/zinc/33/28/95/1004332895.db2.gz LLNVBHUUYCFYKY-AQNXPRMDSA-N 1 2 373.541 2.598 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC1CCCCC1 ZINC001110494307 1004332924 /nfs/dbraw/zinc/33/29/24/1004332924.db2.gz LLNVBHUUYCFYKY-AQNXPRMDSA-N 1 2 373.541 2.598 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001198081986 1004474292 /nfs/dbraw/zinc/47/42/92/1004474292.db2.gz WFCJSYUDDBIZAC-WOJBJXKFSA-N 1 2 357.498 2.970 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001198081986 1004474296 /nfs/dbraw/zinc/47/42/96/1004474296.db2.gz WFCJSYUDDBIZAC-WOJBJXKFSA-N 1 2 357.498 2.970 20 30 FFEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001198068859 1004485284 /nfs/dbraw/zinc/48/52/84/1004485284.db2.gz NDIVOVDDPHNYQP-RTBURBONSA-N 1 2 364.534 2.612 20 30 FFEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001198068859 1004485291 /nfs/dbraw/zinc/48/52/91/1004485291.db2.gz NDIVOVDDPHNYQP-RTBURBONSA-N 1 2 364.534 2.612 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)ns1 ZINC001097007149 1016882818 /nfs/dbraw/zinc/88/28/18/1016882818.db2.gz DDISTAZDAOTUNC-KYJSFNMBSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)ns1 ZINC001097007149 1016882836 /nfs/dbraw/zinc/88/28/36/1016882836.db2.gz DDISTAZDAOTUNC-KYJSFNMBSA-N 1 2 370.453 2.998 20 30 FFEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001198185023 1004534510 /nfs/dbraw/zinc/53/45/10/1004534510.db2.gz PAKIWQWSYOGCIY-BIENJYKASA-N 1 2 363.421 2.657 20 30 FFEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001198185023 1004534519 /nfs/dbraw/zinc/53/45/19/1004534519.db2.gz PAKIWQWSYOGCIY-BIENJYKASA-N 1 2 363.421 2.657 20 30 FFEDLO Cc1ccn(C[N@@H+]2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)c(=O)c1C#N ZINC000808189591 1004769825 /nfs/dbraw/zinc/76/98/25/1004769825.db2.gz VGWRTXMAKSVBDX-MRXNPFEDSA-N 1 2 374.485 2.755 20 30 FFEDLO Cc1ccn(C[N@H+]2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)c(=O)c1C#N ZINC000808189591 1004769831 /nfs/dbraw/zinc/76/98/31/1004769831.db2.gz VGWRTXMAKSVBDX-MRXNPFEDSA-N 1 2 374.485 2.755 20 30 FFEDLO Cc1noc(NC(=O)c2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c1C#N ZINC001194655248 1004781411 /nfs/dbraw/zinc/78/14/11/1004781411.db2.gz JKYLSQIAAZLIEI-UHFFFAOYSA-N 1 2 359.817 2.512 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)cs1)C2 ZINC001110528125 1004845879 /nfs/dbraw/zinc/84/58/79/1004845879.db2.gz UJZYYALOUHHHPW-ZACQAIPSSA-N 1 2 373.522 2.592 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)cs1)C2 ZINC001110528125 1004845882 /nfs/dbraw/zinc/84/58/82/1004845882.db2.gz UJZYYALOUHHHPW-ZACQAIPSSA-N 1 2 373.522 2.592 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3c2c(F)ccc3F)C[C@H]1O ZINC001195255150 1004924202 /nfs/dbraw/zinc/92/42/02/1004924202.db2.gz NZOMWSACESOSJK-IXDOHACOSA-N 1 2 364.436 2.716 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCc3c2c(F)ccc3F)C[C@H]1O ZINC001195255150 1004924206 /nfs/dbraw/zinc/92/42/06/1004924206.db2.gz NZOMWSACESOSJK-IXDOHACOSA-N 1 2 364.436 2.716 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2c(C)nn(Cc3ccc(OC)cc3)c2C)CC1 ZINC001199461875 1004939830 /nfs/dbraw/zinc/93/98/30/1004939830.db2.gz HLWACYGEWYYPEK-UHFFFAOYSA-N 1 2 368.481 2.501 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C[C@H]1O ZINC001195724894 1005021907 /nfs/dbraw/zinc/02/19/07/1005021907.db2.gz FYYXAEVJFNYAMR-KBAYOESNSA-N 1 2 369.465 2.920 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C[C@H]1O ZINC001195724894 1005021911 /nfs/dbraw/zinc/02/19/11/1005021911.db2.gz FYYXAEVJFNYAMR-KBAYOESNSA-N 1 2 369.465 2.920 20 30 FFEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(-c2ccccc2)on1 ZINC001110543374 1005035542 /nfs/dbraw/zinc/03/55/42/1005035542.db2.gz OTJUPSMWTFGNCQ-AQNXPRMDSA-N 1 2 361.445 2.977 20 30 FFEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(-c2ccccc2)on1 ZINC001110543374 1005035547 /nfs/dbraw/zinc/03/55/47/1005035547.db2.gz OTJUPSMWTFGNCQ-AQNXPRMDSA-N 1 2 361.445 2.977 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)c(F)c1 ZINC001110546227 1005072677 /nfs/dbraw/zinc/07/26/77/1005072677.db2.gz QTMCXCSPRMKESV-GGBBIFEXSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)c(F)c1 ZINC001110546227 1005072684 /nfs/dbraw/zinc/07/26/84/1005072684.db2.gz QTMCXCSPRMKESV-GGBBIFEXSA-N 1 2 364.848 2.739 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2coc(C)n2)C[C@H]1c1ccccc1 ZINC001488891158 1005372011 /nfs/dbraw/zinc/37/20/11/1005372011.db2.gz DNEAPHFRBSMSJP-VQTJNVASSA-N 1 2 369.465 2.660 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](Cc2coc(C)n2)C[C@H]1c1ccccc1 ZINC001488891158 1005372013 /nfs/dbraw/zinc/37/20/13/1005372013.db2.gz DNEAPHFRBSMSJP-VQTJNVASSA-N 1 2 369.465 2.660 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(CC)CC ZINC001110593323 1005384005 /nfs/dbraw/zinc/38/40/05/1005384005.db2.gz SVHXGMASRBHVHK-QRVBRYPASA-N 1 2 361.530 2.781 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(CC)CC ZINC001110593323 1005384006 /nfs/dbraw/zinc/38/40/06/1005384006.db2.gz SVHXGMASRBHVHK-QRVBRYPASA-N 1 2 361.530 2.781 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]cc1-c1cnn(C)c1)C2 ZINC001097065644 1016968855 /nfs/dbraw/zinc/96/88/55/1016968855.db2.gz CAUCMFKIDCRDND-XYPHTWIQSA-N 1 2 359.861 2.503 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]cc1-c1cnn(C)c1)C2 ZINC001097065644 1016968865 /nfs/dbraw/zinc/96/88/65/1016968865.db2.gz CAUCMFKIDCRDND-XYPHTWIQSA-N 1 2 359.861 2.503 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2ccco2)[C@@H]1C ZINC001489267070 1005444531 /nfs/dbraw/zinc/44/45/31/1005444531.db2.gz DRTPIOFEIJNNFA-XHSDSOJGSA-N 1 2 361.486 2.638 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccco2)[C@@H]1C ZINC001489267070 1005444533 /nfs/dbraw/zinc/44/45/33/1005444533.db2.gz DRTPIOFEIJNNFA-XHSDSOJGSA-N 1 2 361.486 2.638 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)cc3)C[C@H]21 ZINC001187198711 1005959760 /nfs/dbraw/zinc/95/97/60/1005959760.db2.gz HVCFJUQCSSVTKA-WMLDXEAASA-N 1 2 361.873 2.777 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccc(Cl)cc3)C[C@H]21 ZINC001187198711 1005959767 /nfs/dbraw/zinc/95/97/67/1005959767.db2.gz HVCFJUQCSSVTKA-WMLDXEAASA-N 1 2 361.873 2.777 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852299670 1005966069 /nfs/dbraw/zinc/96/60/69/1005966069.db2.gz XYESEUAUPNBWSN-NDENLUEZSA-N 1 2 365.477 2.737 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852299670 1005966073 /nfs/dbraw/zinc/96/60/73/1005966073.db2.gz XYESEUAUPNBWSN-NDENLUEZSA-N 1 2 365.477 2.737 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3nnc(Cc4ccccc4)o3)C[C@H]21 ZINC001187239939 1005972307 /nfs/dbraw/zinc/97/23/07/1005972307.db2.gz KJVJXTFBYZWODS-ZWKOTPCHSA-N 1 2 366.465 2.659 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(Cc4ccccc4)o3)C[C@H]21 ZINC001187239939 1005972318 /nfs/dbraw/zinc/97/23/18/1005972318.db2.gz KJVJXTFBYZWODS-ZWKOTPCHSA-N 1 2 366.465 2.659 20 30 FFEDLO Cc1ccc(N2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000852742119 1006164569 /nfs/dbraw/zinc/16/45/69/1006164569.db2.gz CQRADDWKHNTAKR-UHFFFAOYSA-N 1 2 362.477 2.614 20 30 FFEDLO C=C(C)C[C@@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C(=O)OCC ZINC000881755781 1006206669 /nfs/dbraw/zinc/20/66/69/1006206669.db2.gz PLPFYZHKSZKTQU-IAGOWNOFSA-N 1 2 355.438 2.946 20 30 FFEDLO C[C@H]([C@H](C)Nc1nccc(Oc2cccc(C#N)c2)n1)[NH+]1CCOCC1 ZINC000881924378 1006257139 /nfs/dbraw/zinc/25/71/39/1006257139.db2.gz UYIIOLKKGHAXTM-LSDHHAIUSA-N 1 2 353.426 2.662 20 30 FFEDLO N#CC[C@H]1CCC[N@@H+](CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)C1 ZINC000853526676 1006429651 /nfs/dbraw/zinc/42/96/51/1006429651.db2.gz WHZUIWGIKFZNOO-IIBYNOLFSA-N 1 2 366.465 2.743 20 30 FFEDLO N#CC[C@H]1CCC[N@H+](CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)C1 ZINC000853526676 1006429656 /nfs/dbraw/zinc/42/96/56/1006429656.db2.gz WHZUIWGIKFZNOO-IIBYNOLFSA-N 1 2 366.465 2.743 20 30 FFEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]O[C@@H]2COC(C)(C)C2)cc1 ZINC000853689779 1006506532 /nfs/dbraw/zinc/50/65/32/1006506532.db2.gz XBLYRHKHBMRHJU-HNNXBMFYSA-N 1 2 363.458 2.916 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC3(CC2)OCCCO3)c1C#N ZINC000815157604 1006522191 /nfs/dbraw/zinc/52/21/91/1006522191.db2.gz SMHASJJFCHQJEE-UHFFFAOYSA-N 1 2 352.438 2.781 20 30 FFEDLO COc1cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)ccc1C#N ZINC000854265915 1006748375 /nfs/dbraw/zinc/74/83/75/1006748375.db2.gz XHNWGMTTXTVHDE-UHFFFAOYSA-N 1 2 351.406 2.651 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc([C@]3(C#N)CCCOC3)n2)O1 ZINC000867045242 1006762808 /nfs/dbraw/zinc/76/28/08/1006762808.db2.gz BKNAJXQWBGYMCS-SYNHAJSKSA-N 1 2 368.437 2.603 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc([C@]3(C#N)CCCOC3)n2)O1 ZINC000867045242 1006762819 /nfs/dbraw/zinc/76/28/19/1006762819.db2.gz BKNAJXQWBGYMCS-SYNHAJSKSA-N 1 2 368.437 2.603 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4ccco4)no3)C[C@H]21 ZINC001188886224 1006785474 /nfs/dbraw/zinc/78/54/74/1006785474.db2.gz VAKQLDAPVRRDTL-OWCLPIDISA-N 1 2 370.453 2.965 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4ccco4)no3)C[C@H]21 ZINC001188886224 1006785486 /nfs/dbraw/zinc/78/54/86/1006785486.db2.gz VAKQLDAPVRRDTL-OWCLPIDISA-N 1 2 370.453 2.965 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4ccco4)no3)C[C@H]21 ZINC001188908894 1006800242 /nfs/dbraw/zinc/80/02/42/1006800242.db2.gz LATCNUSVLIGAHC-HRCADAONSA-N 1 2 370.453 2.965 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4ccco4)no3)C[C@H]21 ZINC001188908894 1006800254 /nfs/dbraw/zinc/80/02/54/1006800254.db2.gz LATCNUSVLIGAHC-HRCADAONSA-N 1 2 370.453 2.965 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C(C)(C)C)C2 ZINC001110699073 1007107252 /nfs/dbraw/zinc/10/72/52/1007107252.db2.gz CZUHYGSHBRTNIA-LZQZEXGQSA-N 1 2 369.509 2.621 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C(C)(C)C)C2 ZINC001110699073 1007107263 /nfs/dbraw/zinc/10/72/63/1007107263.db2.gz CZUHYGSHBRTNIA-LZQZEXGQSA-N 1 2 369.509 2.621 20 30 FFEDLO C[C@@H]1C[N@H+](CCOC(=O)c2cn(CCCC#N)c3ccccc23)CCO1 ZINC000800216182 1007208532 /nfs/dbraw/zinc/20/85/32/1007208532.db2.gz NKAVKASHCYMALR-MRXNPFEDSA-N 1 2 355.438 2.823 20 30 FFEDLO C[C@@H]1C[N@@H+](CCOC(=O)c2cn(CCCC#N)c3ccccc23)CCO1 ZINC000800216182 1007208545 /nfs/dbraw/zinc/20/85/45/1007208545.db2.gz NKAVKASHCYMALR-MRXNPFEDSA-N 1 2 355.438 2.823 20 30 FFEDLO C=CC(C)(C)CC(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000884650853 1007501485 /nfs/dbraw/zinc/50/14/85/1007501485.db2.gz XUFWMSLJNLEOEF-UHFFFAOYSA-N 1 2 360.454 2.603 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110424317 1007520649 /nfs/dbraw/zinc/52/06/49/1007520649.db2.gz KVYVDOIRFCGLAO-RLLQIKCJSA-N 1 2 371.456 2.902 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110424317 1007520655 /nfs/dbraw/zinc/52/06/55/1007520655.db2.gz KVYVDOIRFCGLAO-RLLQIKCJSA-N 1 2 371.456 2.902 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001190449855 1007649351 /nfs/dbraw/zinc/64/93/51/1007649351.db2.gz HSSLDLAMILVGCP-YQQAZPJKSA-N 1 2 363.527 2.719 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001190449855 1007649356 /nfs/dbraw/zinc/64/93/56/1007649356.db2.gz HSSLDLAMILVGCP-YQQAZPJKSA-N 1 2 363.527 2.719 20 30 FFEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)S(=O)(=O)c1cc(C#N)ccc1F ZINC001190639690 1007731160 /nfs/dbraw/zinc/73/11/60/1007731160.db2.gz ITGSCDBPKYBBLT-UHFFFAOYSA-N 1 2 370.409 2.704 20 30 FFEDLO C#CC[C@H]([NH2+]Cc1nnc2n1c1ccc(C)cc1c(=O)n2C)c1ccccc1 ZINC000775404538 1007749281 /nfs/dbraw/zinc/74/92/81/1007749281.db2.gz PJMZRJZBTFXQTF-SFHVURJKSA-N 1 2 371.444 2.744 20 30 FFEDLO C=CCC1(S(=O)(=O)NC2CC[NH+](Cc3cc(F)cc(F)c3)CC2)CC1 ZINC001190836731 1007803410 /nfs/dbraw/zinc/80/34/10/1007803410.db2.gz YNNJQZNLFVBNJB-UHFFFAOYSA-N 1 2 370.465 2.957 20 30 FFEDLO C=CCC1(S(=O)(=O)NC2CC[NH+](Cc3cc(F)ccc3F)CC2)CC1 ZINC001190836332 1007803529 /nfs/dbraw/zinc/80/35/29/1007803529.db2.gz QNNOBSRZZLQZGL-UHFFFAOYSA-N 1 2 370.465 2.957 20 30 FFEDLO CCCCC[NH+]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC001190953621 1007865823 /nfs/dbraw/zinc/86/58/23/1007865823.db2.gz JCHXWKYLODRRIK-UHFFFAOYSA-N 1 2 355.891 2.708 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c1C#N ZINC000858040944 1008286504 /nfs/dbraw/zinc/28/65/04/1008286504.db2.gz GXDROILRFKWNGH-INIZCTEOSA-N 1 2 351.406 2.702 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c1C#N ZINC000858040944 1008286507 /nfs/dbraw/zinc/28/65/07/1008286507.db2.gz GXDROILRFKWNGH-INIZCTEOSA-N 1 2 351.406 2.702 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001206479640 1032305263 /nfs/dbraw/zinc/30/52/63/1032305263.db2.gz QMOFCFLUJWASIQ-JKIFEVAISA-N 1 2 351.878 2.653 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001206479640 1032305273 /nfs/dbraw/zinc/30/52/73/1032305273.db2.gz QMOFCFLUJWASIQ-JKIFEVAISA-N 1 2 351.878 2.653 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206479310 1032305473 /nfs/dbraw/zinc/30/54/73/1032305473.db2.gz OAEJGOQGNGWKHN-SPYBWZPUSA-N 1 2 359.445 2.615 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206479310 1032305489 /nfs/dbraw/zinc/30/54/89/1032305489.db2.gz OAEJGOQGNGWKHN-SPYBWZPUSA-N 1 2 359.445 2.615 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001206479770 1032306116 /nfs/dbraw/zinc/30/61/16/1032306116.db2.gz VNMUCMZAOAVJNX-IIAWOOMASA-N 1 2 351.878 2.653 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001206479770 1032306126 /nfs/dbraw/zinc/30/61/26/1032306126.db2.gz VNMUCMZAOAVJNX-IIAWOOMASA-N 1 2 351.878 2.653 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2csc(C3CC3)n2)C[C@H]1C ZINC001206485891 1032307833 /nfs/dbraw/zinc/30/78/33/1032307833.db2.gz OKVOZXVSZJZVMP-CKEIUWERSA-N 1 2 363.527 2.938 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2csc(C3CC3)n2)C[C@H]1C ZINC001206485891 1032307846 /nfs/dbraw/zinc/30/78/46/1032307846.db2.gz OKVOZXVSZJZVMP-CKEIUWERSA-N 1 2 363.527 2.938 20 30 FFEDLO Cc1nscc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001095333776 1008557565 /nfs/dbraw/zinc/55/75/65/1008557565.db2.gz JQSXSDWJHBOMJX-JLSDUUJJSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1nscc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001095333776 1008557577 /nfs/dbraw/zinc/55/75/77/1008557577.db2.gz JQSXSDWJHBOMJX-JLSDUUJJSA-N 1 2 370.453 2.998 20 30 FFEDLO COc1ncc(NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)cc1C#N ZINC001177480959 1008625782 /nfs/dbraw/zinc/62/57/82/1008625782.db2.gz ZJKLMKXJQBXOJP-UHFFFAOYSA-N 1 2 374.404 2.925 20 30 FFEDLO Cc1nscc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001095337081 1008640858 /nfs/dbraw/zinc/64/08/58/1008640858.db2.gz DZMJJLRQTLMJGI-RLCCDNCMSA-N 1 2 358.492 2.920 20 30 FFEDLO Cc1nscc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001095337081 1008640869 /nfs/dbraw/zinc/64/08/69/1008640869.db2.gz DZMJJLRQTLMJGI-RLCCDNCMSA-N 1 2 358.492 2.920 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1nc(C)cc1C)C2 ZINC001110105303 1008702026 /nfs/dbraw/zinc/70/20/26/1008702026.db2.gz QGAPWPGKYOYYAD-YVSFHVDLSA-N 1 2 350.894 2.925 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1nc(C)cc1C)C2 ZINC001110105303 1008702039 /nfs/dbraw/zinc/70/20/39/1008702039.db2.gz QGAPWPGKYOYYAD-YVSFHVDLSA-N 1 2 350.894 2.925 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)CC2CC2)CCCC1 ZINC001110212839 1008704154 /nfs/dbraw/zinc/70/41/54/1008704154.db2.gz RICLMYHOCUSJQD-QYZOEREBSA-N 1 2 373.541 2.713 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)CC2CC2)CCCC1 ZINC001110212839 1008704160 /nfs/dbraw/zinc/70/41/60/1008704160.db2.gz RICLMYHOCUSJQD-QYZOEREBSA-N 1 2 373.541 2.713 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)c1cncnc1 ZINC001095343061 1008777856 /nfs/dbraw/zinc/77/78/56/1008777856.db2.gz KNDOMZUKRHDNML-QYZOEREBSA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)c1cncnc1 ZINC001095343061 1008777869 /nfs/dbraw/zinc/77/78/69/1008777869.db2.gz KNDOMZUKRHDNML-QYZOEREBSA-N 1 2 366.852 2.517 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c1C#N ZINC000860097386 1008831114 /nfs/dbraw/zinc/83/11/14/1008831114.db2.gz SJRJYBLVFGXKPF-ZDUSSCGKSA-N 1 2 361.442 2.690 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c1C#N ZINC000860097386 1008831131 /nfs/dbraw/zinc/83/11/31/1008831131.db2.gz SJRJYBLVFGXKPF-ZDUSSCGKSA-N 1 2 361.442 2.690 20 30 FFEDLO CCOCC[NH+]1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC001136691554 1008975713 /nfs/dbraw/zinc/97/57/13/1008975713.db2.gz VUYXPKGSEWPLJQ-UHFFFAOYSA-N 1 2 356.253 2.659 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000860467201 1009015275 /nfs/dbraw/zinc/01/52/75/1009015275.db2.gz GLXRPCKULXZJSC-JENIJYKNSA-N 1 2 373.497 2.846 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cscc2Br)C[C@H]1C ZINC001206659751 1032376644 /nfs/dbraw/zinc/37/66/44/1032376644.db2.gz QEJCHTLBLJMMLL-OPQQBVKSSA-N 1 2 356.289 2.607 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cscc2Br)C[C@H]1C ZINC001206659751 1032376654 /nfs/dbraw/zinc/37/66/54/1032376654.db2.gz QEJCHTLBLJMMLL-OPQQBVKSSA-N 1 2 356.289 2.607 20 30 FFEDLO CCOC1CC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)C1 ZINC001095377690 1009177047 /nfs/dbraw/zinc/17/70/47/1009177047.db2.gz PQGZHXQFRILZIP-PCMRQFRZSA-N 1 2 371.456 2.734 20 30 FFEDLO CCOC1CC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)C1 ZINC001095377690 1009177052 /nfs/dbraw/zinc/17/70/52/1009177052.db2.gz PQGZHXQFRILZIP-PCMRQFRZSA-N 1 2 371.456 2.734 20 30 FFEDLO Cc1ncsc1C[NH+]1CC2(CN(C(=O)[C@H](C)c3ccc(C#N)cc3)C2)C1 ZINC001274173565 1009561679 /nfs/dbraw/zinc/56/16/79/1009561679.db2.gz XEDPFNHMHVNUSK-CQSZACIVSA-N 1 2 366.490 2.771 20 30 FFEDLO Cc1c[nH]nc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001095394836 1009782526 /nfs/dbraw/zinc/78/25/26/1009782526.db2.gz AHROYFMLUZSYKL-SQNIBIBYSA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1c[nH]nc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001095394836 1009782536 /nfs/dbraw/zinc/78/25/36/1009782536.db2.gz AHROYFMLUZSYKL-SQNIBIBYSA-N 1 2 368.868 2.758 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000889234777 1009880053 /nfs/dbraw/zinc/88/00/53/1009880053.db2.gz VAQBDNQHJIAKOJ-WBVHZDCISA-N 1 2 357.364 2.798 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000889234777 1009880066 /nfs/dbraw/zinc/88/00/66/1009880066.db2.gz VAQBDNQHJIAKOJ-WBVHZDCISA-N 1 2 357.364 2.798 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000889234775 1009880108 /nfs/dbraw/zinc/88/01/08/1009880108.db2.gz VAQBDNQHJIAKOJ-NVXWUHKLSA-N 1 2 357.364 2.798 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000889234775 1009880125 /nfs/dbraw/zinc/88/01/25/1009880125.db2.gz VAQBDNQHJIAKOJ-NVXWUHKLSA-N 1 2 357.364 2.798 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+](CN1C(=O)C3(CCC3)[C@H]1[C@@H]1CCCO1)C2 ZINC000863335356 1010182361 /nfs/dbraw/zinc/18/23/61/1010182361.db2.gz FQAPEAXJTUZMCG-VQTJNVASSA-N 1 2 365.477 2.628 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+](CN1C(=O)C3(CCC3)[C@H]1[C@@H]1CCCO1)C2 ZINC000863335356 1010182365 /nfs/dbraw/zinc/18/23/65/1010182365.db2.gz FQAPEAXJTUZMCG-VQTJNVASSA-N 1 2 365.477 2.628 20 30 FFEDLO CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000773981495 1010405956 /nfs/dbraw/zinc/40/59/56/1010405956.db2.gz YWLAVLSWIAQKIL-IRXDYDNUSA-N 1 2 373.522 2.896 20 30 FFEDLO CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000773981495 1010405964 /nfs/dbraw/zinc/40/59/64/1010405964.db2.gz YWLAVLSWIAQKIL-IRXDYDNUSA-N 1 2 373.522 2.896 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]cc1-c1cnn(C)c1)C2 ZINC001095404837 1010450863 /nfs/dbraw/zinc/45/08/63/1010450863.db2.gz CAUCMFKIDCRDND-COXVUDFISA-N 1 2 359.861 2.503 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]cc1-c1cnn(C)c1)C2 ZINC001095404837 1010450869 /nfs/dbraw/zinc/45/08/69/1010450869.db2.gz CAUCMFKIDCRDND-COXVUDFISA-N 1 2 359.861 2.503 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC001206916746 1032497679 /nfs/dbraw/zinc/49/76/79/1032497679.db2.gz BRAUTSOPSKBQAA-LPMFXHHGSA-N 1 2 365.543 2.704 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC001206916746 1032497681 /nfs/dbraw/zinc/49/76/81/1032497681.db2.gz BRAUTSOPSKBQAA-LPMFXHHGSA-N 1 2 365.543 2.704 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCCC)C2)c1 ZINC001206926962 1032506788 /nfs/dbraw/zinc/50/67/88/1032506788.db2.gz IJEONLNZEXUEIX-SQGPQFPESA-N 1 2 369.509 2.869 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCCC)C2)c1 ZINC001206926962 1032506793 /nfs/dbraw/zinc/50/67/93/1032506793.db2.gz IJEONLNZEXUEIX-SQGPQFPESA-N 1 2 369.509 2.869 20 30 FFEDLO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cccc(C#N)c1O ZINC000866238373 1010959191 /nfs/dbraw/zinc/95/91/91/1010959191.db2.gz MKEWFFSLGYIHGF-CQSZACIVSA-N 1 2 353.422 2.582 20 30 FFEDLO C#CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000796218961 1011365624 /nfs/dbraw/zinc/36/56/24/1011365624.db2.gz ZAFGLMXTTBZGMK-UHFFFAOYSA-N 1 2 365.458 2.756 20 30 FFEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171828729 1011475742 /nfs/dbraw/zinc/47/57/42/1011475742.db2.gz NNYAUUDRGRQYGM-KGLIPLIRSA-N 1 2 372.531 2.760 20 30 FFEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1)C(=O)OCC ZINC001171876469 1011495192 /nfs/dbraw/zinc/49/51/92/1011495192.db2.gz BYQRLDNQVQQJDZ-LQWHRVPQSA-N 1 2 356.466 2.779 20 30 FFEDLO CCCCCCC[C@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[N@@H+]2C1CCCC1 ZINC001274538446 1011499899 /nfs/dbraw/zinc/49/98/99/1011499899.db2.gz QGHBODAFRWWRQT-ZCNNSNEGSA-N 1 2 366.546 2.952 20 30 FFEDLO CCCCCCC[C@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[N@H+]2C1CCCC1 ZINC001274538446 1011499908 /nfs/dbraw/zinc/49/99/08/1011499908.db2.gz QGHBODAFRWWRQT-ZCNNSNEGSA-N 1 2 366.546 2.952 20 30 FFEDLO C=CC[C@H]1N(C(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CCCC1(C)C ZINC000411003581 1011709869 /nfs/dbraw/zinc/70/98/69/1011709869.db2.gz OLWJHPXRRYTZBW-DLBZAZTESA-N 1 2 372.513 2.719 20 30 FFEDLO COC(=O)[C@H](Cc1ccc(Br)cn1)[NH2+][C@@H](C)CCCC#N ZINC001172491188 1011848680 /nfs/dbraw/zinc/84/86/80/1011848680.db2.gz MCBAAGNPNWXGBN-FZMZJTMJSA-N 1 2 354.248 2.600 20 30 FFEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3c(F)cccc3Cl)C2)OCC1=O ZINC001275207731 1012080204 /nfs/dbraw/zinc/08/02/04/1012080204.db2.gz ZGZYKALDHCCQHF-GOSISDBHSA-N 1 2 352.837 2.859 20 30 FFEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3c(F)cccc3Cl)C2)OCC1=O ZINC001275207731 1012080220 /nfs/dbraw/zinc/08/02/20/1012080220.db2.gz ZGZYKALDHCCQHF-GOSISDBHSA-N 1 2 352.837 2.859 20 30 FFEDLO C#CC[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C)o2)C1)c1ccccc1 ZINC001217081709 1032604421 /nfs/dbraw/zinc/60/44/21/1032604421.db2.gz NNCUNWAQXWUYKV-AYOQOUSVSA-N 1 2 366.465 2.512 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(O)cc(Cl)c1)C2 ZINC001275295219 1012226072 /nfs/dbraw/zinc/22/60/72/1012226072.db2.gz VASBMFMRAYFYNL-IBGZPJMESA-N 1 2 364.873 2.673 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(O)cc(Cl)c1)C2 ZINC001275295219 1012226091 /nfs/dbraw/zinc/22/60/91/1012226091.db2.gz VASBMFMRAYFYNL-IBGZPJMESA-N 1 2 364.873 2.673 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)OCCc3ccccc3)[C@@H]2C1 ZINC001221988788 1032619432 /nfs/dbraw/zinc/61/94/32/1032619432.db2.gz FYVRNHOYJLYYNX-QXAKKESOSA-N 1 2 362.901 2.919 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)OCCc3ccccc3)[C@@H]2C1 ZINC001221988788 1032619439 /nfs/dbraw/zinc/61/94/39/1032619439.db2.gz FYVRNHOYJLYYNX-QXAKKESOSA-N 1 2 362.901 2.919 20 30 FFEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)c(O)c(F)c1 ZINC001275427991 1012447904 /nfs/dbraw/zinc/44/79/04/1012447904.db2.gz CINCXPWPFMEFBG-LJQANCHMSA-N 1 2 363.408 2.931 20 30 FFEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)c(O)c(F)c1 ZINC001275427991 1012447911 /nfs/dbraw/zinc/44/79/11/1012447911.db2.gz CINCXPWPFMEFBG-LJQANCHMSA-N 1 2 363.408 2.931 20 30 FFEDLO CS(=O)(=O)c1ccccc1N1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173336479 1012451350 /nfs/dbraw/zinc/45/13/50/1012451350.db2.gz ALSBWTTXPDOFTH-UHFFFAOYSA-N 1 2 361.511 2.685 20 30 FFEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(F)cc(Cl)cc1F)CC2 ZINC001275633567 1012737191 /nfs/dbraw/zinc/73/71/91/1012737191.db2.gz UDQOTQIYIBHKQS-AWEZNQCLSA-N 1 2 352.812 2.970 20 30 FFEDLO N#Cc1ccc(Cn2cc(NC(=O)Cc3cn4c([nH+]3)CCCC4)cn2)cc1 ZINC000871179279 1012768498 /nfs/dbraw/zinc/76/84/98/1012768498.db2.gz MJDLNFXNZRQPHI-UHFFFAOYSA-N 1 2 360.421 2.517 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(F)c1F)C2 ZINC001275659017 1012780944 /nfs/dbraw/zinc/78/09/44/1012780944.db2.gz ZFIDWDJEZQBFMV-IBGZPJMESA-N 1 2 350.409 2.592 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC001275659017 1012780954 /nfs/dbraw/zinc/78/09/54/1012780954.db2.gz ZFIDWDJEZQBFMV-IBGZPJMESA-N 1 2 350.409 2.592 20 30 FFEDLO C=C(C)CN1CC2(C[NH+](Cc3cccc4c3ccn4CC)C2)OCC1=O ZINC001275705275 1012886417 /nfs/dbraw/zinc/88/64/17/1012886417.db2.gz IZYQWONYHNDLOC-UHFFFAOYSA-N 1 2 353.466 2.651 20 30 FFEDLO Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)c1 ZINC001095265726 1013017773 /nfs/dbraw/zinc/01/77/73/1013017773.db2.gz MTUQTCKYQRTYIX-JLSDUUJJSA-N 1 2 352.463 2.859 20 30 FFEDLO Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)c1 ZINC001095265726 1013017790 /nfs/dbraw/zinc/01/77/90/1013017790.db2.gz MTUQTCKYQRTYIX-JLSDUUJJSA-N 1 2 352.463 2.859 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)N(C)CCO3)C2 ZINC001097326901 1017353057 /nfs/dbraw/zinc/35/30/57/1017353057.db2.gz DMHDWZFKAATCCN-OAGGEKHMSA-N 1 2 361.873 2.603 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)N(C)CCO3)C2 ZINC001097326901 1017353069 /nfs/dbraw/zinc/35/30/69/1017353069.db2.gz DMHDWZFKAATCCN-OAGGEKHMSA-N 1 2 361.873 2.603 20 30 FFEDLO CC[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cccc(C#N)c1O ZINC000924706896 1017435421 /nfs/dbraw/zinc/43/54/21/1017435421.db2.gz QBAUNCIWXPUFHL-IBGZPJMESA-N 1 2 367.449 2.972 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cccc(F)n2)C1 ZINC001052741107 1018078424 /nfs/dbraw/zinc/07/84/24/1018078424.db2.gz CZJQLDDUTIYKFA-HUUCEWRRSA-N 1 2 371.460 2.963 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001053541477 1018357562 /nfs/dbraw/zinc/35/75/62/1018357562.db2.gz GGQSUEDMCBGCIT-NWGLXNPWSA-N 1 2 358.486 2.663 20 30 FFEDLO C[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001042359031 1019013205 /nfs/dbraw/zinc/01/32/05/1019013205.db2.gz XARTVRSKGDBJPE-CZUORRHYSA-N 1 2 363.396 2.600 20 30 FFEDLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)ccn12 ZINC000928721255 1019096886 /nfs/dbraw/zinc/09/68/86/1019096886.db2.gz LIHSPHDCFZWGEL-KRWDZBQOSA-N 1 2 360.421 2.626 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)c1ccco1 ZINC001110966936 1019385857 /nfs/dbraw/zinc/38/58/57/1019385857.db2.gz LHAYTDLYHAAZSH-HZMVEIRTSA-N 1 2 359.470 2.535 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)c1ccco1 ZINC001110966936 1019385872 /nfs/dbraw/zinc/38/58/72/1019385872.db2.gz LHAYTDLYHAAZSH-HZMVEIRTSA-N 1 2 359.470 2.535 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CCC(C)CC2)C1 ZINC001095985982 1019704893 /nfs/dbraw/zinc/70/48/93/1019704893.db2.gz MPNVMVMMHDQSFF-CORWQPHRSA-N 1 2 373.541 2.759 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CCC(C)CC2)C1 ZINC001095985982 1019704910 /nfs/dbraw/zinc/70/49/10/1019704910.db2.gz MPNVMVMMHDQSFF-CORWQPHRSA-N 1 2 373.541 2.759 20 30 FFEDLO CCC[C@H]1CN(Cc2cncc(C#N)c2)CC[N@@H+]1Cc1cncc(C#N)c1 ZINC000930022206 1019816883 /nfs/dbraw/zinc/81/68/83/1019816883.db2.gz ULMKZGIGCOMUIH-NRFANRHFSA-N 1 2 360.465 2.706 20 30 FFEDLO CCC[C@H]1CN(Cc2cncc(C#N)c2)CC[N@H+]1Cc1cncc(C#N)c1 ZINC000930022206 1019816896 /nfs/dbraw/zinc/81/68/96/1019816896.db2.gz ULMKZGIGCOMUIH-NRFANRHFSA-N 1 2 360.465 2.706 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1)C(C)C ZINC001110984831 1019950532 /nfs/dbraw/zinc/95/05/32/1019950532.db2.gz NICGLIGOEGHXGU-YSHGAJCASA-N 1 2 359.445 2.590 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1)C(C)C ZINC001110984831 1019950543 /nfs/dbraw/zinc/95/05/43/1019950543.db2.gz NICGLIGOEGHXGU-YSHGAJCASA-N 1 2 359.445 2.590 20 30 FFEDLO CC[C@@H](CC1CCCCC1)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070696150 1020072655 /nfs/dbraw/zinc/07/26/55/1020072655.db2.gz FHJSRWOJLJIRGW-IPMKNSEASA-N 1 2 371.529 2.824 20 30 FFEDLO CCCC[C@@H](C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001217794772 1032872808 /nfs/dbraw/zinc/87/28/08/1032872808.db2.gz LVLIOKBQIPBVPK-FHLIZLRMSA-N 1 2 361.511 2.858 20 30 FFEDLO CCCC[C@@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001217794772 1032872820 /nfs/dbraw/zinc/87/28/20/1032872820.db2.gz LVLIOKBQIPBVPK-FHLIZLRMSA-N 1 2 361.511 2.858 20 30 FFEDLO C[C@@H](CC(=O)N1CC[C@@H](C)C[C@H]1CNc1ncccc1C#N)n1cc[nH+]c1 ZINC001048363484 1020161018 /nfs/dbraw/zinc/16/10/18/1020161018.db2.gz CESNSBKOYRAEEV-RYRKJORJSA-N 1 2 366.469 2.840 20 30 FFEDLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](CNc2ncccc2C#N)C1 ZINC001048386662 1020189583 /nfs/dbraw/zinc/18/95/83/1020189583.db2.gz JIYQEGLVYWIFHU-XLNGHYISSA-N 1 2 364.453 2.519 20 30 FFEDLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](CNc2ncccc2C#N)C1 ZINC001048386662 1020189588 /nfs/dbraw/zinc/18/95/88/1020189588.db2.gz JIYQEGLVYWIFHU-XLNGHYISSA-N 1 2 364.453 2.519 20 30 FFEDLO C#C[C@@H]1CCC[N@@H+](Cc2csc(CN3C(=O)c4ccccc4C3=O)n2)C1 ZINC000930884519 1020225205 /nfs/dbraw/zinc/22/52/05/1020225205.db2.gz CXYQZTCMESWTRY-CQSZACIVSA-N 1 2 365.458 2.785 20 30 FFEDLO C#C[C@@H]1CCC[N@H+](Cc2csc(CN3C(=O)c4ccccc4C3=O)n2)C1 ZINC000930884519 1020225215 /nfs/dbraw/zinc/22/52/15/1020225215.db2.gz CXYQZTCMESWTRY-CQSZACIVSA-N 1 2 365.458 2.785 20 30 FFEDLO Cc1ccccc1C[N@H+](C)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000725766681 1020254310 /nfs/dbraw/zinc/25/43/10/1020254310.db2.gz VEDCUYJJDNNXHK-NRFANRHFSA-N 1 2 362.433 2.723 20 30 FFEDLO Cc1ccccc1C[N@@H+](C)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000725766681 1020254319 /nfs/dbraw/zinc/25/43/19/1020254319.db2.gz VEDCUYJJDNNXHK-NRFANRHFSA-N 1 2 362.433 2.723 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)no1 ZINC001096379267 1020288177 /nfs/dbraw/zinc/28/81/77/1020288177.db2.gz KQGAHNGAYLPOKF-LJHODMEESA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)no1 ZINC001096379267 1020288181 /nfs/dbraw/zinc/28/81/81/1020288181.db2.gz KQGAHNGAYLPOKF-LJHODMEESA-N 1 2 368.412 2.783 20 30 FFEDLO N#Cc1ccc([C@@H](O)C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000800581973 1020409221 /nfs/dbraw/zinc/40/92/21/1020409221.db2.gz ORCHCGVDSQRADM-PKOBYXMFSA-N 1 2 364.449 2.531 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)Cc2c[nH]nc21 ZINC000931458164 1020475991 /nfs/dbraw/zinc/47/59/91/1020475991.db2.gz CAHXHDPRJDVFGC-DOMZBBRYSA-N 1 2 358.405 2.566 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)Cc2c[nH]nc21 ZINC000931458164 1020475995 /nfs/dbraw/zinc/47/59/95/1020475995.db2.gz CAHXHDPRJDVFGC-DOMZBBRYSA-N 1 2 358.405 2.566 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001046327853 1020590973 /nfs/dbraw/zinc/59/09/73/1020590973.db2.gz QRFHQOSLEUGCGR-HBFSDRIKSA-N 1 2 360.502 2.526 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001046327853 1020590981 /nfs/dbraw/zinc/59/09/81/1020590981.db2.gz QRFHQOSLEUGCGR-HBFSDRIKSA-N 1 2 360.502 2.526 20 30 FFEDLO Cc1nc([C@@H]2CC[N@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)no1 ZINC000931947372 1020640361 /nfs/dbraw/zinc/64/03/61/1020640361.db2.gz SCZHGQJVDAEQAX-OAHLLOKOSA-N 1 2 363.421 2.919 20 30 FFEDLO Cc1nc([C@@H]2CC[N@@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)no1 ZINC000931947372 1020640366 /nfs/dbraw/zinc/64/03/66/1020640366.db2.gz SCZHGQJVDAEQAX-OAHLLOKOSA-N 1 2 363.421 2.919 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1CC ZINC001048998819 1020671072 /nfs/dbraw/zinc/67/10/72/1020671072.db2.gz ZXCGMZUNYVJRBT-XDNAFOTISA-N 1 2 372.513 2.973 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001046603048 1020714340 /nfs/dbraw/zinc/71/43/40/1020714340.db2.gz QRFZHPMITURAAS-TWMKSMIVSA-N 1 2 358.486 2.806 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001046621490 1020723742 /nfs/dbraw/zinc/72/37/42/1020723742.db2.gz PYZKNOSBUHXDGF-RUENVJTFSA-N 1 2 370.497 2.950 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001046627288 1020727561 /nfs/dbraw/zinc/72/75/61/1020727561.db2.gz DHMGZJSWBZAQMP-SPUZQDLCSA-N 1 2 370.497 2.950 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC001046635639 1020736175 /nfs/dbraw/zinc/73/61/75/1020736175.db2.gz ZBMVXIVQLXQJDN-QEEYODRMSA-N 1 2 361.486 2.644 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC001046635639 1020736181 /nfs/dbraw/zinc/73/61/81/1020736181.db2.gz ZBMVXIVQLXQJDN-QEEYODRMSA-N 1 2 361.486 2.644 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc3ccccc31)C2 ZINC001096474371 1020752431 /nfs/dbraw/zinc/75/24/31/1020752431.db2.gz JJGPZRJDZOKELN-UXPWSPDFSA-N 1 2 371.444 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc3ccccc31)C2 ZINC001096474371 1020752440 /nfs/dbraw/zinc/75/24/40/1020752440.db2.gz JJGPZRJDZOKELN-UXPWSPDFSA-N 1 2 371.444 2.970 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ncc(C)o1 ZINC001098286763 1020794183 /nfs/dbraw/zinc/79/41/83/1020794183.db2.gz OEIHSMGQNIKOCP-XLNTUCKNSA-N 1 2 363.461 2.990 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ncc(C)o1 ZINC001098286763 1020794191 /nfs/dbraw/zinc/79/41/91/1020794191.db2.gz OEIHSMGQNIKOCP-XLNTUCKNSA-N 1 2 363.461 2.990 20 30 FFEDLO CCOC(=O)c1c[nH+]c2ccccc2c1NCCNc1ncccc1C#N ZINC000749274912 1020912615 /nfs/dbraw/zinc/91/26/15/1020912615.db2.gz WBFGIONCBZACGE-UHFFFAOYSA-N 1 2 361.405 2.624 20 30 FFEDLO Cc1cc(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cc(F)ccc2C#N)C3)[nH]n1 ZINC001098744629 1021103965 /nfs/dbraw/zinc/10/39/65/1021103965.db2.gz DYSIYSIIXHWJGS-JXFKEZNVSA-N 1 2 367.428 2.513 20 30 FFEDLO Cc1cc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cc(F)ccc2C#N)C3)[nH]n1 ZINC001098744629 1021103971 /nfs/dbraw/zinc/10/39/71/1021103971.db2.gz DYSIYSIIXHWJGS-JXFKEZNVSA-N 1 2 367.428 2.513 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc4ccccc4c(=O)[nH]3)[C@H]2C1 ZINC001222428111 1032963486 /nfs/dbraw/zinc/96/34/86/1032963486.db2.gz CYLFCPQXILAIFJ-QAPCUYQASA-N 1 2 366.465 2.724 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc4ccccc4c(=O)[nH]3)[C@H]2C1 ZINC001222428111 1032963494 /nfs/dbraw/zinc/96/34/94/1032963494.db2.gz CYLFCPQXILAIFJ-QAPCUYQASA-N 1 2 366.465 2.724 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3OC)[C@H]2C1 ZINC001222428985 1032966821 /nfs/dbraw/zinc/96/68/21/1032966821.db2.gz YVRJCCANEVREKZ-AEFFLSMTSA-N 1 2 371.481 2.523 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)Nc3ccccc3OC)[C@H]2C1 ZINC001222428985 1032966831 /nfs/dbraw/zinc/96/68/31/1032966831.db2.gz YVRJCCANEVREKZ-AEFFLSMTSA-N 1 2 371.481 2.523 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccns2)C1 ZINC001098861229 1021262137 /nfs/dbraw/zinc/26/21/37/1021262137.db2.gz KWZYXNAYPIFBIT-LPHOPBHVSA-N 1 2 352.463 2.799 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccns2)C1 ZINC001098861229 1021262141 /nfs/dbraw/zinc/26/21/41/1021262141.db2.gz KWZYXNAYPIFBIT-LPHOPBHVSA-N 1 2 352.463 2.799 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccsn2)C1 ZINC001098893671 1021343755 /nfs/dbraw/zinc/34/37/55/1021343755.db2.gz BILPHWNYFZRMBN-KXBFYZLASA-N 1 2 370.453 2.938 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccsn2)C1 ZINC001098893671 1021343770 /nfs/dbraw/zinc/34/37/70/1021343770.db2.gz BILPHWNYFZRMBN-KXBFYZLASA-N 1 2 370.453 2.938 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000778309538 1021600076 /nfs/dbraw/zinc/60/00/76/1021600076.db2.gz QXXSQKPGVKOHKU-ATVHPVEESA-N 1 2 364.436 2.959 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)c1 ZINC001014484945 1021857862 /nfs/dbraw/zinc/85/78/62/1021857862.db2.gz KZKGKONOSORHEP-TWKWOARYSA-N 1 2 353.441 2.990 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)c1 ZINC001014484945 1021857880 /nfs/dbraw/zinc/85/78/80/1021857880.db2.gz KZKGKONOSORHEP-TWKWOARYSA-N 1 2 353.441 2.990 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c(C)noc1C)C2 ZINC001111115830 1021995980 /nfs/dbraw/zinc/99/59/80/1021995980.db2.gz KNUJLXPFGFOQGP-OXVOBEKISA-N 1 2 351.878 2.944 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c(C)noc1C)C2 ZINC001111115830 1021995989 /nfs/dbraw/zinc/99/59/89/1021995989.db2.gz KNUJLXPFGFOQGP-OXVOBEKISA-N 1 2 351.878 2.944 20 30 FFEDLO CC(C)(CNC(=O)C1(c2ccc(C#N)cc2)CCCC1)[NH+]1CCOCC1 ZINC001118857986 1022444521 /nfs/dbraw/zinc/44/45/21/1022444521.db2.gz AFNYOZPTWQUNHH-UHFFFAOYSA-N 1 2 355.482 2.597 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001038503089 1022661208 /nfs/dbraw/zinc/66/12/08/1022661208.db2.gz MWDPSKVTNCZOIR-RCCFBDPRSA-N 1 2 355.482 2.940 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001038503089 1022661212 /nfs/dbraw/zinc/66/12/12/1022661212.db2.gz MWDPSKVTNCZOIR-RCCFBDPRSA-N 1 2 355.482 2.940 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CCC(=O)OC(C)(C)C)c1 ZINC001119628191 1022903943 /nfs/dbraw/zinc/90/39/43/1022903943.db2.gz HYSSFCCVMTWVGF-SFHVURJKSA-N 1 2 356.466 2.997 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CCC(=O)OC(C)(C)C)c1 ZINC001119628191 1022903953 /nfs/dbraw/zinc/90/39/53/1022903953.db2.gz HYSSFCCVMTWVGF-SFHVURJKSA-N 1 2 356.466 2.997 20 30 FFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC001137803959 1033112127 /nfs/dbraw/zinc/11/21/27/1033112127.db2.gz GYMULVWJGSDDSE-NSHDSACASA-N 1 2 354.801 2.938 20 30 FFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC001137803959 1033112133 /nfs/dbraw/zinc/11/21/33/1033112133.db2.gz GYMULVWJGSDDSE-NSHDSACASA-N 1 2 354.801 2.938 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@@H]2C2CCC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001122396112 1023241669 /nfs/dbraw/zinc/24/16/69/1023241669.db2.gz WYXDIEGMHWBUNE-MBOZVWFJSA-N 1 2 359.518 2.535 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@@H]2C2CCC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001122396112 1023241691 /nfs/dbraw/zinc/24/16/91/1023241691.db2.gz WYXDIEGMHWBUNE-MBOZVWFJSA-N 1 2 359.518 2.535 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C ZINC001122400222 1023245891 /nfs/dbraw/zinc/24/58/91/1023245891.db2.gz OADLUEPWYUXDQX-JKSUJKDBSA-N 1 2 372.517 2.818 20 30 FFEDLO C=CCN(CCOC)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000189306588 1023256659 /nfs/dbraw/zinc/25/66/59/1023256659.db2.gz WYFCATQHBLCVEP-UHFFFAOYSA-N 1 2 360.502 2.565 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC[C@@H](c2ccn(C)n2)C1 ZINC001122487621 1023301110 /nfs/dbraw/zinc/30/11/10/1023301110.db2.gz DODHMNBLGICMHP-QGZVFWFLSA-N 1 2 369.517 2.568 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001122566648 1023342488 /nfs/dbraw/zinc/34/24/88/1023342488.db2.gz HRQPLNLFBGBSQL-OALUTQOASA-N 1 2 373.545 2.827 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(CC)Cc1cnn(C)c1 ZINC001122622430 1023374204 /nfs/dbraw/zinc/37/42/04/1023374204.db2.gz CCDRBKOUDASKAI-KRWDZBQOSA-N 1 2 357.506 2.771 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(CC)Cc1cnn(C)c1 ZINC001122622430 1023374211 /nfs/dbraw/zinc/37/42/11/1023374211.db2.gz CCDRBKOUDASKAI-KRWDZBQOSA-N 1 2 357.506 2.771 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001122623086 1023375661 /nfs/dbraw/zinc/37/56/61/1023375661.db2.gz PNAJKRRFJSXNEP-UONOGXRCSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001122623086 1023375670 /nfs/dbraw/zinc/37/56/70/1023375670.db2.gz PNAJKRRFJSXNEP-UONOGXRCSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N(C[C@@H]1CCOC1)C1CC1 ZINC001122626451 1023376434 /nfs/dbraw/zinc/37/64/34/1023376434.db2.gz SULQQHYNDNDJEM-KRWDZBQOSA-N 1 2 359.518 2.845 20 30 FFEDLO COc1ccc(-c2nnc(CO[NH+]=C(N)c3ccc4c(c3)CCO4)o2)cc1 ZINC000753821948 1023385362 /nfs/dbraw/zinc/38/53/62/1023385362.db2.gz DFUMYDHFTNNZFU-UHFFFAOYSA-N 1 2 366.377 2.517 20 30 FFEDLO C[C@H](ON=C(N)c1cccc(C[NH+]2CCOCC2)c1)c1cccc(C#N)c1 ZINC000190091674 1023401391 /nfs/dbraw/zinc/40/13/91/1023401391.db2.gz HGKGDTRYPAFSRA-INIZCTEOSA-N 1 2 364.449 2.789 20 30 FFEDLO O=[N+]([O-])c1cccc(-c2nc(C=NNC3=[NH+][C@@H]4CCCC[C@@H]4N3)cs2)c1 ZINC000753933046 1023401690 /nfs/dbraw/zinc/40/16/90/1023401690.db2.gz AXMHAOIBYFPOFW-GASCZTMLSA-N 1 2 370.438 2.912 20 30 FFEDLO C=CCO[C@H]1CCN(c2nnc([C@H]3CCC[N@H+]3C)n2Cc2cccs2)C1 ZINC001122913963 1023551157 /nfs/dbraw/zinc/55/11/57/1023551157.db2.gz CDUJSFHNYXNEOB-DOTOQJQBSA-N 1 2 373.526 2.936 20 30 FFEDLO C=CCO[C@H]1CCN(c2nnc([C@H]3CCC[N@@H+]3C)n2Cc2cccs2)C1 ZINC001122913963 1023551162 /nfs/dbraw/zinc/55/11/62/1023551162.db2.gz CDUJSFHNYXNEOB-DOTOQJQBSA-N 1 2 373.526 2.936 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001121047490 1023582981 /nfs/dbraw/zinc/58/29/81/1023582981.db2.gz PSGCCPXITMBVRY-UHFFFAOYSA-N 1 2 372.494 2.578 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CCC#N)n2Cc2cccs2)CC1 ZINC001123032322 1023602254 /nfs/dbraw/zinc/60/22/54/1023602254.db2.gz GVNIAOXQZZZULP-INIZCTEOSA-N 1 2 368.510 2.550 20 30 FFEDLO C=CCN(C)c1nnc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1Cc1cccs1 ZINC001123041307 1023606817 /nfs/dbraw/zinc/60/68/17/1023606817.db2.gz MSUBTJJGUUPZRY-WBVHZDCISA-N 1 2 373.526 2.936 20 30 FFEDLO C=CCN(C)c1nnc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)n1Cc1cccs1 ZINC001123041307 1023606821 /nfs/dbraw/zinc/60/68/21/1023606821.db2.gz MSUBTJJGUUPZRY-WBVHZDCISA-N 1 2 373.526 2.936 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2C[C@H]2CCCCO2)C1 ZINC001123149613 1023657628 /nfs/dbraw/zinc/65/76/28/1023657628.db2.gz URJTXNKBMDLKGK-RTBURBONSA-N 1 2 371.529 2.683 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)[C@@H](C#N)C1 ZINC000779388490 1023765782 /nfs/dbraw/zinc/76/57/82/1023765782.db2.gz MYECXCJMDRQEMF-WMZOPIPTSA-N 1 2 367.453 2.721 20 30 FFEDLO C=CCN(CCc1ccco1)c1nnc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)n1C ZINC001121433894 1023772545 /nfs/dbraw/zinc/77/25/45/1023772545.db2.gz MZDBMXIETHVWJB-FUHWJXTLSA-N 1 2 371.485 2.569 20 30 FFEDLO C=CCN(CCc1ccco1)c1nnc([C@H]2C[N@H+]3CCCC[C@H]3CO2)n1C ZINC001121433894 1023772552 /nfs/dbraw/zinc/77/25/52/1023772552.db2.gz MZDBMXIETHVWJB-FUHWJXTLSA-N 1 2 371.485 2.569 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)Cc1ccoc1C ZINC001121492352 1023807631 /nfs/dbraw/zinc/80/76/31/1023807631.db2.gz FGCXUTWTEYDCLU-ZWKOTPCHSA-N 1 2 371.485 2.928 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)Cc1ccoc1C ZINC001121492352 1023807634 /nfs/dbraw/zinc/80/76/34/1023807634.db2.gz FGCXUTWTEYDCLU-ZWKOTPCHSA-N 1 2 371.485 2.928 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(F)(F)C[C@H]1C ZINC001121495563 1023809986 /nfs/dbraw/zinc/80/99/86/1023809986.db2.gz LPCDVRZWWLQBOC-CABCVRRESA-N 1 2 369.460 2.870 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(F)(F)C[C@H]1C ZINC001121495563 1023809988 /nfs/dbraw/zinc/80/99/88/1023809988.db2.gz LPCDVRZWWLQBOC-CABCVRRESA-N 1 2 369.460 2.870 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCc2cc(O)ccc2C1 ZINC001121510461 1023818522 /nfs/dbraw/zinc/81/85/22/1023818522.db2.gz WWMLVNHLZKKOSP-GOSISDBHSA-N 1 2 353.470 2.889 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCc2cc(O)ccc2C1 ZINC001121510461 1023818531 /nfs/dbraw/zinc/81/85/31/1023818531.db2.gz WWMLVNHLZKKOSP-GOSISDBHSA-N 1 2 353.470 2.889 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCc2sccc2[C@@H]1CC ZINC001121510813 1023818802 /nfs/dbraw/zinc/81/88/02/1023818802.db2.gz UEOCYUBMDHGFFH-BPUTZDHNSA-N 1 2 373.526 2.777 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCc2sccc2[C@@H]1CC ZINC001121510813 1023818805 /nfs/dbraw/zinc/81/88/05/1023818805.db2.gz UEOCYUBMDHGFFH-BPUTZDHNSA-N 1 2 373.526 2.777 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2[C@H](C)CCC)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121606686 1023877828 /nfs/dbraw/zinc/87/78/28/1023877828.db2.gz BQWRBQOMPBKTRL-YZLZLFLDSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2[C@H](C)CCC)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001121606686 1023877836 /nfs/dbraw/zinc/87/78/36/1023877836.db2.gz BQWRBQOMPBKTRL-YZLZLFLDSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+](Cc3nc(CCC(C)C)no3)C[C@@]2(C)C1 ZINC001101165340 1023982056 /nfs/dbraw/zinc/98/20/56/1023982056.db2.gz URYFROULKTTXFE-UZLBHIALSA-N 1 2 360.502 2.905 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2C[N@H+](Cc3nc(CCC(C)C)no3)C[C@@]2(C)C1 ZINC001101165340 1023982062 /nfs/dbraw/zinc/98/20/62/1023982062.db2.gz URYFROULKTTXFE-UZLBHIALSA-N 1 2 360.502 2.905 20 30 FFEDLO C#CCN(c1nnc(Cc2[nH+]ccn2C)n1CC)[C@H]1CCc2ccccc21 ZINC001121770767 1023997514 /nfs/dbraw/zinc/99/75/14/1023997514.db2.gz SKASIQQBZBSFTP-SFHVURJKSA-N 1 2 360.465 2.749 20 30 FFEDLO CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1cc(C#N)cs1 ZINC001121804210 1024044654 /nfs/dbraw/zinc/04/46/54/1024044654.db2.gz SWOTWHZQXWAIMC-MRXNPFEDSA-N 1 2 374.514 2.649 20 30 FFEDLO CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1cc(C#N)cs1 ZINC001121804210 1024044667 /nfs/dbraw/zinc/04/46/67/1024044667.db2.gz SWOTWHZQXWAIMC-MRXNPFEDSA-N 1 2 374.514 2.649 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001101325116 1024454557 /nfs/dbraw/zinc/45/45/57/1024454557.db2.gz HAZGHWRBNMXTEH-UTKZUKDTSA-N 1 2 369.513 2.546 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001101325116 1024454563 /nfs/dbraw/zinc/45/45/63/1024454563.db2.gz HAZGHWRBNMXTEH-UTKZUKDTSA-N 1 2 369.513 2.546 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001101337512 1024486197 /nfs/dbraw/zinc/48/61/97/1024486197.db2.gz BUBJUMDIYJRSNG-QKLQHJQFSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001101337512 1024486204 /nfs/dbraw/zinc/48/62/04/1024486204.db2.gz BUBJUMDIYJRSNG-QKLQHJQFSA-N 1 2 359.518 2.742 20 30 FFEDLO C#CCN(CC(=O)N1CC[NH+](Cc2cccs2)CC1)Cc1ccccc1 ZINC000796640078 1025372321 /nfs/dbraw/zinc/37/23/21/1025372321.db2.gz FTOMRRZLVCOSDD-UHFFFAOYSA-N 1 2 367.518 2.528 20 30 FFEDLO Cc1cc(C#N)cc(NC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000837140416 1025608442 /nfs/dbraw/zinc/60/84/42/1025608442.db2.gz AGGXQHMVVSFVQS-UHFFFAOYSA-N 1 2 372.469 2.794 20 30 FFEDLO CNC(=O)N1CC[NH+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC001141295843 1025784941 /nfs/dbraw/zinc/78/49/41/1025784941.db2.gz NKMLWGDYIFMFJA-UHFFFAOYSA-N 1 2 350.422 2.808 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000839627069 1026764775 /nfs/dbraw/zinc/76/47/75/1026764775.db2.gz VYVYNTGKTNNHQT-VQIMIIECSA-N 1 2 362.433 2.725 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000839627069 1026764783 /nfs/dbraw/zinc/76/47/83/1026764783.db2.gz VYVYNTGKTNNHQT-VQIMIIECSA-N 1 2 362.433 2.725 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](CN3C[C@H]4CCC[C@@H]4C3=O)CC2)c(F)c1 ZINC000840071246 1026943604 /nfs/dbraw/zinc/94/36/04/1026943604.db2.gz MVRUBCCOVAIOCY-WBVHZDCISA-N 1 2 357.429 2.757 20 30 FFEDLO CC[C@@H](C#N)Oc1cc(CNc2cc(NC[C@H](C)O)[nH+]cn2)ccc1OC ZINC000840262103 1027024147 /nfs/dbraw/zinc/02/41/47/1027024147.db2.gz CJMUEEATZZZEOS-ZFWWWQNUSA-N 1 2 371.441 2.571 20 30 FFEDLO CC[C@@H](C#N)Oc1cc(CNc2cc(NC[C@H](C)O)nc[nH+]2)ccc1OC ZINC000840262103 1027024155 /nfs/dbraw/zinc/02/41/55/1027024155.db2.gz CJMUEEATZZZEOS-ZFWWWQNUSA-N 1 2 371.441 2.571 20 30 FFEDLO COC(=O)C1(C#N)CCN(c2ccc3c(cc(OC)cc3OC)[nH+]2)CC1 ZINC001158693811 1027098087 /nfs/dbraw/zinc/09/80/87/1027098087.db2.gz QWSHQISBOIBIQU-UHFFFAOYSA-N 1 2 355.394 2.535 20 30 FFEDLO Cc1noc(C)c1CN1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000091890498 1027101823 /nfs/dbraw/zinc/10/18/23/1027101823.db2.gz HSSIKWZRUKSCGG-HNNXBMFYSA-N 1 2 354.454 2.900 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000091890498 1027101836 /nfs/dbraw/zinc/10/18/36/1027101836.db2.gz HSSIKWZRUKSCGG-HNNXBMFYSA-N 1 2 354.454 2.900 20 30 FFEDLO CSc1nc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)ccc1C#N ZINC001141946002 1027200627 /nfs/dbraw/zinc/20/06/27/1027200627.db2.gz WATLWAHDHBRZNC-DZGCQCFKSA-N 1 2 360.483 2.726 20 30 FFEDLO CSc1nc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)ccc1C#N ZINC001141946002 1027200634 /nfs/dbraw/zinc/20/06/34/1027200634.db2.gz WATLWAHDHBRZNC-DZGCQCFKSA-N 1 2 360.483 2.726 20 30 FFEDLO C#Cc1cccc(NC(=O)CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC001141948901 1027205479 /nfs/dbraw/zinc/20/54/79/1027205479.db2.gz FJMLZDGNPOXXRZ-IBGZPJMESA-N 1 2 372.428 2.668 20 30 FFEDLO C=CCOc1ccccc1[C@H](C)Nc1cc(N2CCC[C@@H]2C(N)=O)nc[nH+]1 ZINC001160182694 1027626240 /nfs/dbraw/zinc/62/62/40/1027626240.db2.gz KHGJMCNOWZPMSD-GOEBONIOSA-N 1 2 367.453 2.669 20 30 FFEDLO C=CCOc1ccccc1[C@H](C)Nc1cc(N2CCC[C@@H]2C(N)=O)[nH+]cn1 ZINC001160182694 1027626250 /nfs/dbraw/zinc/62/62/50/1027626250.db2.gz KHGJMCNOWZPMSD-GOEBONIOSA-N 1 2 367.453 2.669 20 30 FFEDLO N#Cc1cccc([C@H]2CN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC001153359934 1027849299 /nfs/dbraw/zinc/84/92/99/1027849299.db2.gz ZETRTOANSSMDNU-OAQYLSRUSA-N 1 2 372.428 2.887 20 30 FFEDLO CC(C)n1c[nH+]cc1CNc1nccnc1[C@H](C#N)C(=O)OC(C)(C)C ZINC001161569207 1028234165 /nfs/dbraw/zinc/23/41/65/1028234165.db2.gz KXDINQRUPHBHIO-AWEZNQCLSA-N 1 2 356.430 2.815 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3sc(N4CCCC4)nc3s2)C1 ZINC001154958822 1028528141 /nfs/dbraw/zinc/52/81/41/1028528141.db2.gz JXZASVFVMLRFJL-CYBMUJFWSA-N 1 2 374.535 2.785 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3sc(N4CCCC4)nc3s2)C1 ZINC001154958822 1028528156 /nfs/dbraw/zinc/52/81/56/1028528156.db2.gz JXZASVFVMLRFJL-CYBMUJFWSA-N 1 2 374.535 2.785 20 30 FFEDLO N#Cc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)nc1 ZINC000780652099 1028759417 /nfs/dbraw/zinc/75/94/17/1028759417.db2.gz VFWCKLZNLKQPBX-VQTJNVASSA-N 1 2 372.432 2.878 20 30 FFEDLO CCOC(=O)c1ccc(N2CCN(c3cc(CC#N)cc[nH+]3)CC2)cc1 ZINC001155952081 1028988641 /nfs/dbraw/zinc/98/86/41/1028988641.db2.gz FPTCIIKRXSWEIL-UHFFFAOYSA-N 1 2 350.422 2.651 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(C(F)(F)F)nn1C)C2 ZINC001111650112 1029048115 /nfs/dbraw/zinc/04/81/15/1029048115.db2.gz FXZAXPZBNJIVHF-GUYCJALGSA-N 1 2 370.419 2.876 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(C(F)(F)F)nn1C)C2 ZINC001111650112 1029048126 /nfs/dbraw/zinc/04/81/26/1029048126.db2.gz FXZAXPZBNJIVHF-GUYCJALGSA-N 1 2 370.419 2.876 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001156319781 1029143490 /nfs/dbraw/zinc/14/34/90/1029143490.db2.gz FLHGLHKBSZINPU-QMMMGPOBSA-N 1 2 358.179 2.783 20 30 FFEDLO CC(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1nc(C3CC3)no1)C2 ZINC001111738916 1029297074 /nfs/dbraw/zinc/29/70/74/1029297074.db2.gz PSJVAWOLHZSCCN-UVFQYZLESA-N 1 2 356.470 2.638 20 30 FFEDLO CC(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1nc(C3CC3)no1)C2 ZINC001111738916 1029297091 /nfs/dbraw/zinc/29/70/91/1029297091.db2.gz PSJVAWOLHZSCCN-UVFQYZLESA-N 1 2 356.470 2.638 20 30 FFEDLO CC(C)c1noc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)n1 ZINC001111741756 1029308769 /nfs/dbraw/zinc/30/87/69/1029308769.db2.gz NJTYNFZESSLMNI-YWZLYKJASA-N 1 2 358.486 2.713 20 30 FFEDLO CC(C)c1noc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)n1 ZINC001111741756 1029308778 /nfs/dbraw/zinc/30/87/78/1029308778.db2.gz NJTYNFZESSLMNI-YWZLYKJASA-N 1 2 358.486 2.713 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164641272 1029349223 /nfs/dbraw/zinc/34/92/23/1029349223.db2.gz KDBVVHNLHZJDDS-SECBINFHSA-N 1 2 358.179 2.783 20 30 FFEDLO C=CC1(CC(=O)NCc2[nH]c3c([nH+]2)CCCC3)CN(C(=O)OC(C)(C)C)C1 ZINC001156897899 1029396570 /nfs/dbraw/zinc/39/65/70/1029396570.db2.gz YXQLPBRHYFVEBX-UHFFFAOYSA-N 1 2 374.485 2.718 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](OC)C2CCC2)C1 ZINC001111824110 1029560800 /nfs/dbraw/zinc/56/08/00/1029560800.db2.gz VFQPROMTHRJNEK-UXLLHSPISA-N 1 2 371.319 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](OC)C2CCC2)C1 ZINC001111824110 1029560806 /nfs/dbraw/zinc/56/08/06/1029560806.db2.gz VFQPROMTHRJNEK-UXLLHSPISA-N 1 2 371.319 2.681 20 30 FFEDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nccc(C)c1C#N ZINC001157503388 1029598427 /nfs/dbraw/zinc/59/84/27/1029598427.db2.gz GZLUKHOJXOLACL-GOSISDBHSA-N 1 2 364.449 2.516 20 30 FFEDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nccc(C)c1C#N ZINC001157503388 1029598429 /nfs/dbraw/zinc/59/84/29/1029598429.db2.gz GZLUKHOJXOLACL-GOSISDBHSA-N 1 2 364.449 2.516 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(C(C)C)nn1)C2 ZINC001111848301 1029612359 /nfs/dbraw/zinc/61/23/59/1029612359.db2.gz BFPRNYUHEQIMKZ-UWVAXJGDSA-N 1 2 359.518 2.932 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(C(C)C)nn1)C2 ZINC001111848301 1029612361 /nfs/dbraw/zinc/61/23/61/1029612361.db2.gz BFPRNYUHEQIMKZ-UWVAXJGDSA-N 1 2 359.518 2.932 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc3n1CCCCC3)C2 ZINC001111858837 1029630909 /nfs/dbraw/zinc/63/09/09/1029630909.db2.gz ARRPMYANZMCIDX-UWJYYQICSA-N 1 2 371.529 2.832 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc3n1CCCCC3)C2 ZINC001111858837 1029630915 /nfs/dbraw/zinc/63/09/15/1029630915.db2.gz ARRPMYANZMCIDX-UWJYYQICSA-N 1 2 371.529 2.832 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2csc(-c3ccsc3)n2)C[C@H]1C ZINC001206662699 1029667347 /nfs/dbraw/zinc/66/73/47/1029667347.db2.gz RFMSQHRLMAYINP-LALPHHSUSA-N 1 2 360.508 2.968 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2csc(-c3ccsc3)n2)C[C@H]1C ZINC001206662699 1029667349 /nfs/dbraw/zinc/66/73/49/1029667349.db2.gz RFMSQHRLMAYINP-LALPHHSUSA-N 1 2 360.508 2.968 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001111909928 1029718743 /nfs/dbraw/zinc/71/87/43/1029718743.db2.gz HKTRDQDDLQNLDQ-CVEARBPZSA-N 1 2 356.470 2.704 20 30 FFEDLO N#Cc1cnc(NC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC2)c(Cl)c1 ZINC001111922078 1029745010 /nfs/dbraw/zinc/74/50/10/1029745010.db2.gz UIYHMGUGDDLTFB-CHWSQXEVSA-N 1 2 370.844 2.584 20 30 FFEDLO N#Cc1cnc(NC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC2)c(Cl)c1 ZINC001111922078 1029745019 /nfs/dbraw/zinc/74/50/19/1029745019.db2.gz UIYHMGUGDDLTFB-CHWSQXEVSA-N 1 2 370.844 2.584 20 30 FFEDLO C=CCCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnc(Cl)s1)C2 ZINC001112014930 1029863256 /nfs/dbraw/zinc/86/32/56/1029863256.db2.gz BZUPOAASBZBPAO-GUYCJALGSA-N 1 2 369.918 2.860 20 30 FFEDLO C=CCCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnc(Cl)s1)C2 ZINC001112014930 1029863259 /nfs/dbraw/zinc/86/32/59/1029863259.db2.gz BZUPOAASBZBPAO-GUYCJALGSA-N 1 2 369.918 2.860 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC001112017532 1029867315 /nfs/dbraw/zinc/86/73/15/1029867315.db2.gz JJLHAFLJCVJQED-UVFQYZLESA-N 1 2 359.470 2.614 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC001112017532 1029867318 /nfs/dbraw/zinc/86/73/18/1029867318.db2.gz JJLHAFLJCVJQED-UVFQYZLESA-N 1 2 359.470 2.614 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncc(C(C)C)o1)C2 ZINC001112018580 1029867779 /nfs/dbraw/zinc/86/77/79/1029867779.db2.gz GCFFVXNJBDFUHD-GUXCAODWSA-N 1 2 361.486 2.860 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncc(C(C)C)o1)C2 ZINC001112018580 1029867783 /nfs/dbraw/zinc/86/77/83/1029867783.db2.gz GCFFVXNJBDFUHD-GUXCAODWSA-N 1 2 361.486 2.860 20 30 FFEDLO N#Cc1c[nH]c2cc[nH+]c(N3Cc4cncn4C[C@H](COCC4CC4)C3)c12 ZINC001165692175 1030088003 /nfs/dbraw/zinc/08/80/03/1030088003.db2.gz WIVUMUHRVXKJOD-OAHLLOKOSA-N 1 2 362.437 2.694 20 30 FFEDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000784165163 1030490353 /nfs/dbraw/zinc/49/03/53/1030490353.db2.gz KTPSMPDXCQTELL-YJBOKZPZSA-N 1 2 359.470 2.867 20 30 FFEDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000784165163 1030490359 /nfs/dbraw/zinc/49/03/59/1030490359.db2.gz KTPSMPDXCQTELL-YJBOKZPZSA-N 1 2 359.470 2.867 20 30 FFEDLO C[C@H]1C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC(C)(C)C1 ZINC000784349116 1030582646 /nfs/dbraw/zinc/58/26/46/1030582646.db2.gz NEFVPMXTZIGGBE-UKRRQHHQSA-N 1 2 352.438 2.880 20 30 FFEDLO C[C@H]1C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC(C)(C)C1 ZINC000784349116 1030582658 /nfs/dbraw/zinc/58/26/58/1030582658.db2.gz NEFVPMXTZIGGBE-UKRRQHHQSA-N 1 2 352.438 2.880 20 30 FFEDLO C#C[C@H]1CCCN(c2cc(N3CCN(c4ccccc4F)CC3)nc[nH+]2)C1 ZINC001167008264 1030607504 /nfs/dbraw/zinc/60/75/04/1030607504.db2.gz WPCVWIGWVIUODM-KRWDZBQOSA-N 1 2 365.456 2.792 20 30 FFEDLO C#C[C@H]1CCCN(c2cc(N3CCN(c4ccccc4F)CC3)[nH+]cn2)C1 ZINC001167008264 1030607511 /nfs/dbraw/zinc/60/75/11/1030607511.db2.gz WPCVWIGWVIUODM-KRWDZBQOSA-N 1 2 365.456 2.792 20 30 FFEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1ccc(C#N)cc1 ZINC001203903457 1030971024 /nfs/dbraw/zinc/97/10/24/1030971024.db2.gz UXFBAPKIOGIMQN-IBGZPJMESA-N 1 2 351.454 2.571 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C#N)n(C)c2)cs1 ZINC001276429032 1030981288 /nfs/dbraw/zinc/98/12/88/1030981288.db2.gz BGAMTGVEQVAVPV-CALCHBBNSA-N 1 2 354.479 2.756 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C#N)n(C)c2)cs1 ZINC001276429032 1030981299 /nfs/dbraw/zinc/98/12/99/1030981299.db2.gz BGAMTGVEQVAVPV-CALCHBBNSA-N 1 2 354.479 2.756 20 30 FFEDLO C[C@@H](CCCNc1cccc(F)c1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001115086879 1031023204 /nfs/dbraw/zinc/02/32/04/1031023204.db2.gz BWGMLODSMBOJKS-RRFJBIMHSA-N 1 2 369.444 2.931 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799196337 1031692279 /nfs/dbraw/zinc/69/22/79/1031692279.db2.gz QYJKAYAQDZLHLZ-MRXNPFEDSA-N 1 2 372.432 2.567 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799196337 1031692286 /nfs/dbraw/zinc/69/22/86/1031692286.db2.gz QYJKAYAQDZLHLZ-MRXNPFEDSA-N 1 2 372.432 2.567 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001223271337 1033362148 /nfs/dbraw/zinc/36/21/48/1033362148.db2.gz GKCYGKAXIRSERH-AEFFLSMTSA-N 1 2 370.497 2.954 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001223271337 1033362157 /nfs/dbraw/zinc/36/21/57/1033362157.db2.gz GKCYGKAXIRSERH-AEFFLSMTSA-N 1 2 370.497 2.954 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3cn(CC4CC4)nn3)[C@H]2C1 ZINC001223338176 1033401688 /nfs/dbraw/zinc/40/16/88/1033401688.db2.gz JDYZWDVLGBAHAC-POAQFYNOSA-N 1 2 371.529 2.713 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(CC4CC4)nn3)[C@H]2C1 ZINC001223338176 1033401693 /nfs/dbraw/zinc/40/16/93/1033401693.db2.gz JDYZWDVLGBAHAC-POAQFYNOSA-N 1 2 371.529 2.713 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cnn3ccc(Cl)nc23)C1=O ZINC001276914535 1033561168 /nfs/dbraw/zinc/56/11/68/1033561168.db2.gz JUOGDYXICDRESS-SFHVURJKSA-N 1 2 359.861 2.526 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cnn3ccc(Cl)nc23)C1=O ZINC001276914535 1033561181 /nfs/dbraw/zinc/56/11/81/1033561181.db2.gz JUOGDYXICDRESS-SFHVURJKSA-N 1 2 359.861 2.526 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC2CC2)CC1 ZINC000830535260 1033661111 /nfs/dbraw/zinc/66/11/11/1033661111.db2.gz DSJYUCIJBFIGIA-UHFFFAOYSA-N 1 2 360.465 2.592 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001219709192 1033778065 /nfs/dbraw/zinc/77/80/65/1033778065.db2.gz UIDCREZVRNPKCX-CVEARBPZSA-N 1 2 370.415 2.969 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001219709192 1033778081 /nfs/dbraw/zinc/77/80/81/1033778081.db2.gz UIDCREZVRNPKCX-CVEARBPZSA-N 1 2 370.415 2.969 20 30 FFEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nccn4C)[C@H]3C2)CCCCC1 ZINC001224271150 1033813717 /nfs/dbraw/zinc/81/37/17/1033813717.db2.gz CSLFSHLKLNOIFU-MOPGFXCFSA-N 1 2 368.525 2.817 20 30 FFEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nccn4C)[C@H]3C2)CCCCC1 ZINC001224271150 1033813732 /nfs/dbraw/zinc/81/37/32/1033813732.db2.gz CSLFSHLKLNOIFU-MOPGFXCFSA-N 1 2 368.525 2.817 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)CCC2CCCCCC2)[C@@H](O)C1 ZINC001220024635 1033943619 /nfs/dbraw/zinc/94/36/19/1033943619.db2.gz UGNUIJNUPNDEPY-RTWAWAEBSA-N 1 2 369.509 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)CCC2CCCCCC2)[C@@H](O)C1 ZINC001220024635 1033943629 /nfs/dbraw/zinc/94/36/29/1033943629.db2.gz UGNUIJNUPNDEPY-RTWAWAEBSA-N 1 2 369.509 2.970 20 30 FFEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3csc(C(F)(F)F)c3)C2)OCC1=O ZINC001276996184 1034026716 /nfs/dbraw/zinc/02/67/16/1034026716.db2.gz GVDASMPXISCTSV-OAHLLOKOSA-N 1 2 360.401 2.756 20 30 FFEDLO C=CCN1C[C@]2(CC[N@H+](Cc3csc(C(F)(F)F)c3)C2)OCC1=O ZINC001276996184 1034026730 /nfs/dbraw/zinc/02/67/30/1034026730.db2.gz GVDASMPXISCTSV-OAHLLOKOSA-N 1 2 360.401 2.756 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2Cl)C[C@@H]1O ZINC001220205979 1034046597 /nfs/dbraw/zinc/04/65/97/1034046597.db2.gz STLHKZAHFKTZES-IMJJTQAJSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2Cl)C[C@@H]1O ZINC001220205979 1034046608 /nfs/dbraw/zinc/04/66/08/1034046608.db2.gz STLHKZAHFKTZES-IMJJTQAJSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3oc(C(C)C)nc3C)C[C@@H]2O)CCC1 ZINC001220278881 1034092961 /nfs/dbraw/zinc/09/29/61/1034092961.db2.gz PJCZFDRGAMLQNA-CVEARBPZSA-N 1 2 361.486 2.514 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3oc(C(C)C)nc3C)C[C@@H]2O)CCC1 ZINC001220278881 1034092974 /nfs/dbraw/zinc/09/29/74/1034092974.db2.gz PJCZFDRGAMLQNA-CVEARBPZSA-N 1 2 361.486 2.514 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3oc(C(C)C)nc3C)C[C@@H]2O)CC1 ZINC001220281984 1034097324 /nfs/dbraw/zinc/09/73/24/1034097324.db2.gz BYJJSMYJNMXWRQ-CVEARBPZSA-N 1 2 361.486 2.514 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3oc(C(C)C)nc3C)C[C@@H]2O)CC1 ZINC001220281984 1034097340 /nfs/dbraw/zinc/09/73/40/1034097340.db2.gz BYJJSMYJNMXWRQ-CVEARBPZSA-N 1 2 361.486 2.514 20 30 FFEDLO C=C1CCC(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001220488943 1034217185 /nfs/dbraw/zinc/21/71/85/1034217185.db2.gz LHGWRPOVGVQZCR-HXUWFJFHSA-N 1 2 357.498 2.933 20 30 FFEDLO C=C1CCC(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001220488943 1034217194 /nfs/dbraw/zinc/21/71/94/1034217194.db2.gz LHGWRPOVGVQZCR-HXUWFJFHSA-N 1 2 357.498 2.933 20 30 FFEDLO CC(C)CC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)CCCC1 ZINC001220566605 1034256259 /nfs/dbraw/zinc/25/62/59/1034256259.db2.gz FTHYFSKTBNXCEM-RTWAWAEBSA-N 1 2 368.521 2.806 20 30 FFEDLO CC(C)CC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)CCCC1 ZINC001220566605 1034256270 /nfs/dbraw/zinc/25/62/70/1034256270.db2.gz FTHYFSKTBNXCEM-RTWAWAEBSA-N 1 2 368.521 2.806 20 30 FFEDLO CC(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001220629200 1034304639 /nfs/dbraw/zinc/30/46/39/1034304639.db2.gz XEAYJKAXHBKRBO-LZQZEXGQSA-N 1 2 362.901 2.535 20 30 FFEDLO CC(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001220629200 1034304645 /nfs/dbraw/zinc/30/46/45/1034304645.db2.gz XEAYJKAXHBKRBO-LZQZEXGQSA-N 1 2 362.901 2.535 20 30 FFEDLO COc1c(C)c[nH+]c(CN2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)c1C ZINC001277072829 1034408364 /nfs/dbraw/zinc/40/83/64/1034408364.db2.gz VCSUOMILUOFLFF-QZTJIDSGSA-N 1 2 356.470 2.576 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@@H]1O ZINC001220835256 1034419625 /nfs/dbraw/zinc/41/96/25/1034419625.db2.gz YSWWTYZJPGMZKF-MSOLQXFVSA-N 1 2 363.502 2.502 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)C[C@@H]1O ZINC001220835256 1034419634 /nfs/dbraw/zinc/41/96/34/1034419634.db2.gz YSWWTYZJPGMZKF-MSOLQXFVSA-N 1 2 363.502 2.502 20 30 FFEDLO C=C(C)COc1ccccc1C[N@@H+]1Cc2nnn(CC)c2[C@@H](COC)C1 ZINC001138662349 1034520680 /nfs/dbraw/zinc/52/06/80/1034520680.db2.gz VMQJFPJUGUWXGQ-QGZVFWFLSA-N 1 2 356.470 2.999 20 30 FFEDLO C=C(C)COc1ccccc1C[N@H+]1Cc2nnn(CC)c2[C@@H](COC)C1 ZINC001138662349 1034520686 /nfs/dbraw/zinc/52/06/86/1034520686.db2.gz VMQJFPJUGUWXGQ-QGZVFWFLSA-N 1 2 356.470 2.999 20 30 FFEDLO O=C(CCCC1CCCC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001221105604 1034546921 /nfs/dbraw/zinc/54/69/21/1034546921.db2.gz RFQUMBNJCVIONF-RTWAWAEBSA-N 1 2 354.494 2.560 20 30 FFEDLO O=C(CCCC1CCCC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001221105604 1034546932 /nfs/dbraw/zinc/54/69/32/1034546932.db2.gz RFQUMBNJCVIONF-RTWAWAEBSA-N 1 2 354.494 2.560 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccnn3[C@H]3CCCCO3)CC2)cc1 ZINC001138778141 1034648434 /nfs/dbraw/zinc/64/84/34/1034648434.db2.gz AWFFYKJGFDGNOU-HXUWFJFHSA-N 1 2 351.454 2.776 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221417776 1034728278 /nfs/dbraw/zinc/72/82/78/1034728278.db2.gz XCVZHANJLCXIDF-WIBUTAKZSA-N 1 2 371.456 2.545 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221417776 1034728289 /nfs/dbraw/zinc/72/82/89/1034728289.db2.gz XCVZHANJLCXIDF-WIBUTAKZSA-N 1 2 371.456 2.545 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221417852 1034729749 /nfs/dbraw/zinc/72/97/49/1034729749.db2.gz YWAFYDYVNIVEKP-OZOXKJRCSA-N 1 2 370.468 2.525 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221417852 1034729760 /nfs/dbraw/zinc/72/97/60/1034729760.db2.gz YWAFYDYVNIVEKP-OZOXKJRCSA-N 1 2 370.468 2.525 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C[C@H]21 ZINC001221421591 1034734632 /nfs/dbraw/zinc/73/46/32/1034734632.db2.gz BPCNJXFJWFJBBX-ZSZQSSIHSA-N 1 2 364.436 2.979 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C[C@H]21 ZINC001221421591 1034734646 /nfs/dbraw/zinc/73/46/46/1034734646.db2.gz BPCNJXFJWFJBBX-ZSZQSSIHSA-N 1 2 364.436 2.979 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccc(OCC)cc3)C[C@H]21 ZINC001221425110 1034742222 /nfs/dbraw/zinc/74/22/22/1034742222.db2.gz ZWSZPMUUDRJMTH-VQIMIIECSA-N 1 2 371.481 2.523 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccc(OCC)cc3)C[C@H]21 ZINC001221425110 1034742235 /nfs/dbraw/zinc/74/22/35/1034742235.db2.gz ZWSZPMUUDRJMTH-VQIMIIECSA-N 1 2 371.481 2.523 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccc4c(c3)CCC4)C[C@H]21 ZINC001221425008 1034743460 /nfs/dbraw/zinc/74/34/60/1034743460.db2.gz VNCGTCPPFSECJZ-UYAOXDASSA-N 1 2 367.493 2.613 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccc4c(c3)CCC4)C[C@H]21 ZINC001221425008 1034743475 /nfs/dbraw/zinc/74/34/75/1034743475.db2.gz VNCGTCPPFSECJZ-UYAOXDASSA-N 1 2 367.493 2.613 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H](C)CC)[C@@H]3C2)c1 ZINC001221510740 1034829421 /nfs/dbraw/zinc/82/94/21/1034829421.db2.gz DPXUFKHTTOFEQF-YVWKXTFCSA-N 1 2 367.493 2.575 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)C[C@H](C)CC)[C@@H]3C2)c1 ZINC001221510740 1034829433 /nfs/dbraw/zinc/82/94/33/1034829433.db2.gz DPXUFKHTTOFEQF-YVWKXTFCSA-N 1 2 367.493 2.575 20 30 FFEDLO CCO[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21)C1CC1 ZINC001221558259 1034874257 /nfs/dbraw/zinc/87/42/57/1034874257.db2.gz BNBIFXVEFORPNJ-NSISKUIASA-N 1 2 371.456 2.545 20 30 FFEDLO CCO[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21)C1CC1 ZINC001221558259 1034874265 /nfs/dbraw/zinc/87/42/65/1034874265.db2.gz BNBIFXVEFORPNJ-NSISKUIASA-N 1 2 371.456 2.545 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3oc4ccc(F)cc4c3C)[C@@H]2C1 ZINC001221618402 1034923442 /nfs/dbraw/zinc/92/34/42/1034923442.db2.gz IPYXSQMDDUXLLW-CRAIPNDOSA-N 1 2 370.424 2.676 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3oc4ccc(F)cc4c3C)[C@@H]2C1 ZINC001221618402 1034923451 /nfs/dbraw/zinc/92/34/51/1034923451.db2.gz IPYXSQMDDUXLLW-CRAIPNDOSA-N 1 2 370.424 2.676 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC001221753918 1035038615 /nfs/dbraw/zinc/03/86/15/1035038615.db2.gz SJKTYYJDSYZTTB-YQVWRLOYSA-N 1 2 361.530 2.570 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC001221753918 1035038624 /nfs/dbraw/zinc/03/86/24/1035038624.db2.gz SJKTYYJDSYZTTB-YQVWRLOYSA-N 1 2 361.530 2.570 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccc(OC)cc3)C[C@H]21 ZINC001221779671 1035061956 /nfs/dbraw/zinc/06/19/56/1035061956.db2.gz HPXUJSSDXIZIQP-VQIMIIECSA-N 1 2 371.481 2.523 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccc(OC)cc3)C[C@H]21 ZINC001221779671 1035061961 /nfs/dbraw/zinc/06/19/61/1035061961.db2.gz HPXUJSSDXIZIQP-VQIMIIECSA-N 1 2 371.481 2.523 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC(C)(C)CC)C[C@H]32)CCC1 ZINC001221797949 1035078263 /nfs/dbraw/zinc/07/82/63/1035078263.db2.gz PCTSEIPOMYSRTK-IAGOWNOFSA-N 1 2 361.530 2.570 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](CC(=O)NC(C)(C)CC)C[C@H]32)CCC1 ZINC001221797949 1035078272 /nfs/dbraw/zinc/07/82/72/1035078272.db2.gz PCTSEIPOMYSRTK-IAGOWNOFSA-N 1 2 361.530 2.570 20 30 FFEDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139402645 1035090113 /nfs/dbraw/zinc/09/01/13/1035090113.db2.gz VKMZGOBBMYYZJG-GOSISDBHSA-N 1 2 363.417 2.574 20 30 FFEDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139402645 1035090119 /nfs/dbraw/zinc/09/01/19/1035090119.db2.gz VKMZGOBBMYYZJG-GOSISDBHSA-N 1 2 363.417 2.574 20 30 FFEDLO COc1nccc(I)c1C[NH+]1CCC(CC#N)CC1 ZINC001139578171 1035171127 /nfs/dbraw/zinc/17/11/27/1035171127.db2.gz CLCNRZTWFGRYPJ-UHFFFAOYSA-N 1 2 371.222 2.820 20 30 FFEDLO N#Cc1cccc2c(C[NH+]3CCN(C(=O)Cc4ccsc4)CC3)c[nH]c21 ZINC001139707720 1035202602 /nfs/dbraw/zinc/20/26/02/1035202602.db2.gz QIQPZCODIUUOOO-UHFFFAOYSA-N 1 2 364.474 2.988 20 30 FFEDLO COC(=O)c1ccccc1N1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC001140139272 1035356404 /nfs/dbraw/zinc/35/64/04/1035356404.db2.gz PAZGVBREHUSYOV-UHFFFAOYSA-N 1 2 353.397 2.806 20 30 FFEDLO C=CCCC(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001536095295 1069923415 /nfs/dbraw/zinc/92/34/15/1069923415.db2.gz XBVKKDNOVVRVTL-PYWTVGQWSA-N 1 2 370.497 2.518 20 30 FFEDLO C#CC[N@@H+](Cc1nc(Br)cnc1N)[C@@H]1CCc2ccccc21 ZINC001140262841 1035409778 /nfs/dbraw/zinc/40/97/78/1035409778.db2.gz CUJCYYMXEXOXPG-OAHLLOKOSA-N 1 2 357.255 2.944 20 30 FFEDLO C#CC[N@H+](Cc1nc(Br)cnc1N)[C@@H]1CCc2ccccc21 ZINC001140262841 1035409780 /nfs/dbraw/zinc/40/97/80/1035409780.db2.gz CUJCYYMXEXOXPG-OAHLLOKOSA-N 1 2 357.255 2.944 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2ccc(C#N)nc2)Cc2c1cnn2CC1CC1 ZINC001140541638 1035594318 /nfs/dbraw/zinc/59/43/18/1035594318.db2.gz NVPUDWXJWJAKJY-QGZVFWFLSA-N 1 2 351.454 2.696 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C#N)nc2)Cc2c1cnn2CC1CC1 ZINC001140541638 1035594329 /nfs/dbraw/zinc/59/43/29/1035594329.db2.gz NVPUDWXJWJAKJY-QGZVFWFLSA-N 1 2 351.454 2.696 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)cn1 ZINC001140542684 1035600006 /nfs/dbraw/zinc/60/00/06/1035600006.db2.gz DDGOMWUJYYCZMF-KVSKMBFKSA-N 1 2 370.478 2.606 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)cn1 ZINC001140542684 1035600020 /nfs/dbraw/zinc/60/00/20/1035600020.db2.gz DDGOMWUJYYCZMF-KVSKMBFKSA-N 1 2 370.478 2.606 20 30 FFEDLO C[N@@H+]1CCO[C@@H](COc2ccc(C[C@H](C#N)c3ccc(O)cc3)cc2)C1 ZINC001227721836 1035696355 /nfs/dbraw/zinc/69/63/55/1035696355.db2.gz KXEWPNXCNFGIAK-WIYYLYMNSA-N 1 2 352.434 2.951 20 30 FFEDLO C[N@H+]1CCO[C@@H](COc2ccc(C[C@H](C#N)c3ccc(O)cc3)cc2)C1 ZINC001227721836 1035696362 /nfs/dbraw/zinc/69/63/62/1035696362.db2.gz KXEWPNXCNFGIAK-WIYYLYMNSA-N 1 2 352.434 2.951 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001227924941 1035811276 /nfs/dbraw/zinc/81/12/76/1035811276.db2.gz FOSDCWFPZKNEPV-HUUCEWRRSA-N 1 2 362.522 2.547 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Cl)cnc1F ZINC001277268959 1035932558 /nfs/dbraw/zinc/93/25/58/1035932558.db2.gz JFKRRDUMVCGCMO-HUUCEWRRSA-N 1 2 350.825 2.743 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)cnc1F ZINC001277268959 1035932568 /nfs/dbraw/zinc/93/25/68/1035932568.db2.gz JFKRRDUMVCGCMO-HUUCEWRRSA-N 1 2 350.825 2.743 20 30 FFEDLO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4cc(C#N)ccc4O)C3)CC2=O)c1 ZINC001232676366 1035932913 /nfs/dbraw/zinc/93/29/13/1035932913.db2.gz IHAQFCSRQINFBK-JOCHJYFZSA-N 1 2 372.428 2.765 20 30 FFEDLO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4cc(C#N)ccc4O)C3)CC2=O)c1 ZINC001232676366 1035932932 /nfs/dbraw/zinc/93/29/32/1035932932.db2.gz IHAQFCSRQINFBK-JOCHJYFZSA-N 1 2 372.428 2.765 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2O)C[C@]12CCN(c1cccnc1)C2=O ZINC001232676889 1035936074 /nfs/dbraw/zinc/93/60/74/1035936074.db2.gz FGVBDOIAUQHEPK-QVKFZJNVSA-N 1 2 362.433 2.534 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2O)C[C@]12CCN(c1cccnc1)C2=O ZINC001232676889 1035936084 /nfs/dbraw/zinc/93/60/84/1035936084.db2.gz FGVBDOIAUQHEPK-QVKFZJNVSA-N 1 2 362.433 2.534 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H]3O[C@H](COc4cccnc4)CC[C@H]32)c1 ZINC001232678191 1035936818 /nfs/dbraw/zinc/93/68/18/1035936818.db2.gz YEDVGFNNTZNCBC-QKNQBKEWSA-N 1 2 365.433 2.860 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H]3O[C@H](COc4cccnc4)CC[C@H]32)c1 ZINC001232678191 1035936835 /nfs/dbraw/zinc/93/68/35/1035936835.db2.gz YEDVGFNNTZNCBC-QKNQBKEWSA-N 1 2 365.433 2.860 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3)CC2)c1 ZINC001232677108 1035936916 /nfs/dbraw/zinc/93/69/16/1035936916.db2.gz ZIHUJKCGZSEVMW-LJQANCHMSA-N 1 2 361.445 2.902 20 30 FFEDLO N#Cc1ccc(CN2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)s1 ZINC001232843388 1036100027 /nfs/dbraw/zinc/10/00/27/1036100027.db2.gz WQROBNYRNCWMAF-HNNXBMFYSA-N 1 2 365.462 2.922 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3cc(C(F)(F)F)ncn3)CC2)s1 ZINC001232844215 1036102200 /nfs/dbraw/zinc/10/22/00/1036102200.db2.gz SIPOAZNUGVFAEI-UHFFFAOYSA-N 1 2 353.373 2.751 20 30 FFEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(n2nnc3ccccc3c2=O)CC1 ZINC001232892683 1036134190 /nfs/dbraw/zinc/13/41/90/1036134190.db2.gz DHBGSROFFKPFQV-UHFFFAOYSA-N 1 2 363.396 2.639 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(C(F)(F)F)o1)C2 ZINC001277731733 1036142674 /nfs/dbraw/zinc/14/26/74/1036142674.db2.gz XSOKLVLOLFMGPE-INIZCTEOSA-N 1 2 358.360 2.535 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(C(F)(F)F)o1)C2 ZINC001277731733 1036142683 /nfs/dbraw/zinc/14/26/83/1036142683.db2.gz XSOKLVLOLFMGPE-INIZCTEOSA-N 1 2 358.360 2.535 20 30 FFEDLO N#Cc1cc[nH]c1C[N@H+](Cc1ccccc1)[C@@H]1CCCN2C(=O)OC[C@H]12 ZINC001233046897 1036291425 /nfs/dbraw/zinc/29/14/25/1036291425.db2.gz LDOAOCDNNTZHCV-RTBURBONSA-N 1 2 350.422 2.872 20 30 FFEDLO N#Cc1cc[nH]c1C[N@@H+](Cc1ccccc1)[C@@H]1CCCN2C(=O)OC[C@H]12 ZINC001233046897 1036291435 /nfs/dbraw/zinc/29/14/35/1036291435.db2.gz LDOAOCDNNTZHCV-RTBURBONSA-N 1 2 350.422 2.872 20 30 FFEDLO CN(C)c1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c(F)c1C#N ZINC001233097629 1036342172 /nfs/dbraw/zinc/34/21/72/1036342172.db2.gz YPEOUFOMLJMLLM-UHFFFAOYSA-N 1 2 363.440 2.957 20 30 FFEDLO N#Cc1ccc([N+](=O)[O-])cc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001228923394 1036408183 /nfs/dbraw/zinc/40/81/83/1036408183.db2.gz RBFICNNBYQKFQT-GOSISDBHSA-N 1 2 353.378 2.746 20 30 FFEDLO N#Cc1ccc([N+](=O)[O-])cc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001228923394 1036408194 /nfs/dbraw/zinc/40/81/94/1036408194.db2.gz RBFICNNBYQKFQT-GOSISDBHSA-N 1 2 353.378 2.746 20 30 FFEDLO Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)nc2ccccc12 ZINC001206946271 1036965179 /nfs/dbraw/zinc/96/51/79/1036965179.db2.gz QWCFNEGRSIRVNE-DNVCBOLYSA-N 1 2 350.466 2.534 20 30 FFEDLO Cc1nc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)nc2ccccc12 ZINC001206946271 1036965196 /nfs/dbraw/zinc/96/51/96/1036965196.db2.gz QWCFNEGRSIRVNE-DNVCBOLYSA-N 1 2 350.466 2.534 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2coc(-c3cccc(F)c3)n2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206952908 1036975096 /nfs/dbraw/zinc/97/50/96/1036975096.db2.gz JVIMGVYBBQNWJU-AUUYWEPGSA-N 1 2 367.424 2.831 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206952908 1036975109 /nfs/dbraw/zinc/97/51/09/1036975109.db2.gz JVIMGVYBBQNWJU-AUUYWEPGSA-N 1 2 367.424 2.831 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](Cc2nccn2CC)C[C@H]1C ZINC001206968059 1036996494 /nfs/dbraw/zinc/99/64/94/1036996494.db2.gz NDJUWIBTTRNWGA-QZTJIDSGSA-N 1 2 362.518 2.603 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nccn2CC)C[C@H]1C ZINC001206968059 1036996509 /nfs/dbraw/zinc/99/65/09/1036996509.db2.gz NDJUWIBTTRNWGA-QZTJIDSGSA-N 1 2 362.518 2.603 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)Cc2c1cnn2CC1CC1 ZINC001207104038 1037149566 /nfs/dbraw/zinc/14/95/66/1037149566.db2.gz IABAFJNTNSKVRK-QGZVFWFLSA-N 1 2 353.470 2.639 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)Cc2c1cnn2CC1CC1 ZINC001207104038 1037149571 /nfs/dbraw/zinc/14/95/71/1037149571.db2.gz IABAFJNTNSKVRK-QGZVFWFLSA-N 1 2 353.470 2.639 20 30 FFEDLO C=CC(=O)OC[C@H](COC(=O)C(=C)C)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231081410 1037461003 /nfs/dbraw/zinc/46/10/03/1037461003.db2.gz KXEAEZJKFNRINZ-MRXNPFEDSA-N 1 2 356.378 2.673 20 30 FFEDLO C=CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001277508564 1037546098 /nfs/dbraw/zinc/54/60/98/1037546098.db2.gz ZLCGIIZTINFVSN-GOSISDBHSA-N 1 2 366.820 2.712 20 30 FFEDLO C=CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001277508564 1037546111 /nfs/dbraw/zinc/54/61/11/1037546111.db2.gz ZLCGIIZTINFVSN-GOSISDBHSA-N 1 2 366.820 2.712 20 30 FFEDLO CCCCCCCNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001231387448 1037557073 /nfs/dbraw/zinc/55/70/73/1037557073.db2.gz MFNGLPLRVOSSIU-INIZCTEOSA-N 1 2 370.538 2.807 20 30 FFEDLO CCCCCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001231387448 1037557090 /nfs/dbraw/zinc/55/70/90/1037557090.db2.gz MFNGLPLRVOSSIU-INIZCTEOSA-N 1 2 370.538 2.807 20 30 FFEDLO N#CCc1ccccc1C[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC001235523861 1037608910 /nfs/dbraw/zinc/60/89/10/1037608910.db2.gz VRGXFKQQLHTMHF-UHFFFAOYSA-N 1 2 367.400 2.945 20 30 FFEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3ccc(F)c(F)c3Cl)C2)OCC1=O ZINC001277959079 1037660739 /nfs/dbraw/zinc/66/07/39/1037660739.db2.gz VTAAEXPEVDJDIQ-GOSISDBHSA-N 1 2 370.827 2.998 20 30 FFEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3ccc(F)c(F)c3Cl)C2)OCC1=O ZINC001277959079 1037660743 /nfs/dbraw/zinc/66/07/43/1037660743.db2.gz VTAAEXPEVDJDIQ-GOSISDBHSA-N 1 2 370.827 2.998 20 30 FFEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2sc3ccccc3c2C)C1 ZINC001207902236 1037827718 /nfs/dbraw/zinc/82/77/18/1037827718.db2.gz RMXOJNZHLIXMAT-CZUORRHYSA-N 1 2 371.506 2.562 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sc3ccccc3c2C)C1 ZINC001207902236 1037827735 /nfs/dbraw/zinc/82/77/35/1037827735.db2.gz RMXOJNZHLIXMAT-CZUORRHYSA-N 1 2 371.506 2.562 20 30 FFEDLO CCCCCCC/C=C/C[N@@H+]1C[C@H]2C[C@H]3[C@@](CN(CC)S3(=O)=O)(C1)O2 ZINC001208120481 1038054687 /nfs/dbraw/zinc/05/46/87/1038054687.db2.gz QSLKPIUGTPKHAN-TZTFXGOKSA-N 1 2 370.559 2.780 20 30 FFEDLO CCCCCCC/C=C/C[N@H+]1C[C@H]2C[C@H]3[C@@](CN(CC)S3(=O)=O)(C1)O2 ZINC001208120481 1038054712 /nfs/dbraw/zinc/05/47/12/1038054712.db2.gz QSLKPIUGTPKHAN-TZTFXGOKSA-N 1 2 370.559 2.780 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cnc(F)cc2C)Cc2nnn(CC3CC3)c21 ZINC001231981942 1038076249 /nfs/dbraw/zinc/07/62/49/1038076249.db2.gz RRRYKMDOVNBZEZ-KRWDZBQOSA-N 1 2 371.460 2.833 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](Cc2cnc(F)cc2C)Cc2nnn(CC3CC3)c21 ZINC001231981942 1038076273 /nfs/dbraw/zinc/07/62/73/1038076273.db2.gz RRRYKMDOVNBZEZ-KRWDZBQOSA-N 1 2 371.460 2.833 20 30 FFEDLO CN(C)C(=O)OCCO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC001255641665 1038098949 /nfs/dbraw/zinc/09/89/49/1038098949.db2.gz QBMZUQRBBWANFH-UHFFFAOYSA-N 1 2 357.410 2.601 20 30 FFEDLO N#Cc1ccc(C[NH+]2CC3(C2)CCN(C(=O)c2cccnc2)C3)cc1Cl ZINC001232120721 1038182564 /nfs/dbraw/zinc/18/25/64/1038182564.db2.gz XHPBPRFRGUETFA-UHFFFAOYSA-N 1 2 366.852 2.955 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001208312321 1038203385 /nfs/dbraw/zinc/20/33/85/1038203385.db2.gz IZTYLSZIFZZEPY-UYAOXDASSA-N 1 2 369.509 2.954 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001208312321 1038203400 /nfs/dbraw/zinc/20/34/00/1038203400.db2.gz IZTYLSZIFZZEPY-UYAOXDASSA-N 1 2 369.509 2.954 20 30 FFEDLO CC1=CCC=C[C@H]1C(=O)N1CCO[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001278925501 1038463274 /nfs/dbraw/zinc/46/32/74/1038463274.db2.gz BWGVPIYUOHEHTK-QRVBRYPASA-N 1 2 369.490 2.554 20 30 FFEDLO CC1=CCC=C[C@H]1C(=O)N1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001278925501 1038463278 /nfs/dbraw/zinc/46/32/78/1038463278.db2.gz BWGVPIYUOHEHTK-QRVBRYPASA-N 1 2 369.490 2.554 20 30 FFEDLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@H+]1CCCc1cccc(C#N)c1 ZINC001208851987 1038556687 /nfs/dbraw/zinc/55/66/87/1038556687.db2.gz QJDLNSSPMUAJOC-FQEVSTJZSA-N 1 2 365.481 2.738 20 30 FFEDLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@@H+]1CCCc1cccc(C#N)c1 ZINC001208851987 1038556700 /nfs/dbraw/zinc/55/67/00/1038556700.db2.gz QJDLNSSPMUAJOC-FQEVSTJZSA-N 1 2 365.481 2.738 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH2+]C[C@H]2C#N)C[C@H]1c1ccccc1 ZINC001256938279 1038660384 /nfs/dbraw/zinc/66/03/84/1038660384.db2.gz BHXMFDSDNZWPSM-OTWHNJEPSA-N 1 2 370.497 2.925 20 30 FFEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C1 ZINC001257180919 1038737716 /nfs/dbraw/zinc/73/77/16/1038737716.db2.gz SPXNJFKLKUUWID-ILXRZTDVSA-N 1 2 374.547 2.862 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)CC(C)C)C2)c1 ZINC001209808458 1039235255 /nfs/dbraw/zinc/23/52/55/1039235255.db2.gz QLYJRBAUDFTJGX-MBOZVWFJSA-N 1 2 369.509 2.725 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)CC(C)C)C2)c1 ZINC001209808458 1039235266 /nfs/dbraw/zinc/23/52/66/1039235266.db2.gz QLYJRBAUDFTJGX-MBOZVWFJSA-N 1 2 369.509 2.725 20 30 FFEDLO C=CCOC(=O)N1CC[NH+](C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC001252386987 1039522884 /nfs/dbraw/zinc/52/28/84/1039522884.db2.gz VIYYYJGFVFXZCX-GOSISDBHSA-N 1 2 370.449 2.520 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)OCCc2ccccc2)C1 ZINC001210693226 1039673076 /nfs/dbraw/zinc/67/30/76/1039673076.db2.gz BXVCFOWZJRNTCB-UWWQBHOKSA-N 1 2 350.890 2.823 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)OCCc2ccccc2)C1 ZINC001210693226 1039673088 /nfs/dbraw/zinc/67/30/88/1039673088.db2.gz BXVCFOWZJRNTCB-UWWQBHOKSA-N 1 2 350.890 2.823 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2cn(CC)nn2)C[C@H]1C)c1ccccc1 ZINC001211227904 1040012323 /nfs/dbraw/zinc/01/23/23/1040012323.db2.gz BOQLHWWVDNJJGX-MBOZVWFJSA-N 1 2 367.497 2.594 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2cn(CC)nn2)C[C@H]1C)c1ccccc1 ZINC001211227904 1040012337 /nfs/dbraw/zinc/01/23/37/1040012337.db2.gz BOQLHWWVDNJJGX-MBOZVWFJSA-N 1 2 367.497 2.594 20 30 FFEDLO N#Cc1cc(F)cc(C[N@@H+]2C[C@@H]3OCCN(CCCC(F)(F)F)[C@H]3C2)c1 ZINC001278734659 1040297326 /nfs/dbraw/zinc/29/73/26/1040297326.db2.gz GDCDJUJVCLINTI-IRXDYDNUSA-N 1 2 371.378 2.925 20 30 FFEDLO N#Cc1cc(F)cc(C[N@H+]2C[C@@H]3OCCN(CCCC(F)(F)F)[C@H]3C2)c1 ZINC001278734659 1040297339 /nfs/dbraw/zinc/29/73/39/1040297339.db2.gz GDCDJUJVCLINTI-IRXDYDNUSA-N 1 2 371.378 2.925 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc3ccccc3o2)C[C@H]1OC ZINC001213268329 1040394017 /nfs/dbraw/zinc/39/40/17/1040394017.db2.gz IWQIIZCIMNXRBZ-FRFSOERESA-N 1 2 357.454 2.916 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc3ccccc3o2)C[C@H]1OC ZINC001213268329 1040394026 /nfs/dbraw/zinc/39/40/26/1040394026.db2.gz IWQIIZCIMNXRBZ-FRFSOERESA-N 1 2 357.454 2.916 20 30 FFEDLO C=C/C(C)=C\CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213287478 1040412124 /nfs/dbraw/zinc/41/21/24/1040412124.db2.gz CPFQUIXIROVQGY-QKLKTMHJSA-N 1 2 357.429 2.535 20 30 FFEDLO C=C/C(C)=C\CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213287478 1040412132 /nfs/dbraw/zinc/41/21/32/1040412132.db2.gz CPFQUIXIROVQGY-QKLKTMHJSA-N 1 2 357.429 2.535 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)CCCC1CC1 ZINC001213305943 1040428289 /nfs/dbraw/zinc/42/82/89/1040428289.db2.gz ZCUZHHNHTZPRDX-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)CCCC1CC1 ZINC001213305943 1040428293 /nfs/dbraw/zinc/42/82/93/1040428293.db2.gz ZCUZHHNHTZPRDX-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO COc1nccc(Cl)c1C[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001248795028 1040431002 /nfs/dbraw/zinc/43/10/02/1040431002.db2.gz MNTOTUPVLGWOLZ-UHFFFAOYSA-N 1 2 357.845 2.723 20 30 FFEDLO COc1nccc(Cl)c1C[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001248795028 1040431013 /nfs/dbraw/zinc/43/10/13/1040431013.db2.gz MNTOTUPVLGWOLZ-UHFFFAOYSA-N 1 2 357.845 2.723 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2nc3ccccc3o2)C[C@H]1OC ZINC001213317824 1040443108 /nfs/dbraw/zinc/44/31/08/1040443108.db2.gz XGNRESYWVNMOKD-YXJHDRRASA-N 1 2 357.454 2.746 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2nc3ccccc3o2)C[C@H]1OC ZINC001213317824 1040443118 /nfs/dbraw/zinc/44/31/18/1040443118.db2.gz XGNRESYWVNMOKD-YXJHDRRASA-N 1 2 357.454 2.746 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2cnn3ccc(C#N)cc23)Cc2nn(CC)cc21 ZINC001249093227 1040578427 /nfs/dbraw/zinc/57/84/27/1040578427.db2.gz PFPQIWPJMKHFPN-QGZVFWFLSA-N 1 2 364.453 2.558 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2cnn3ccc(C#N)cc23)Cc2nn(CC)cc21 ZINC001249093227 1040578439 /nfs/dbraw/zinc/57/84/39/1040578439.db2.gz PFPQIWPJMKHFPN-QGZVFWFLSA-N 1 2 364.453 2.558 20 30 FFEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254234321 1040627280 /nfs/dbraw/zinc/62/72/80/1040627280.db2.gz ZZSBHISKXORVKC-GJZGRUSLSA-N 1 2 368.474 2.646 20 30 FFEDLO Cc1cc(C[NH+]2CC3(CN(C(=O)C4(C#N)CCOCC4)C3)C2)ccc1Cl ZINC001278768903 1040627894 /nfs/dbraw/zinc/62/78/94/1040627894.db2.gz DCGANSLZQIQLBF-UHFFFAOYSA-N 1 2 373.884 2.613 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H](C)CC(C)(C)C ZINC001213540577 1040660245 /nfs/dbraw/zinc/66/02/45/1040660245.db2.gz GZDIVWZETGALHD-KFKAGJAMSA-N 1 2 357.498 2.946 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H](C)CC(C)(C)C ZINC001213540577 1040660254 /nfs/dbraw/zinc/66/02/54/1040660254.db2.gz GZDIVWZETGALHD-KFKAGJAMSA-N 1 2 357.498 2.946 20 30 FFEDLO C=CCOC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CCSC1 ZINC001255276937 1041247661 /nfs/dbraw/zinc/24/76/61/1041247661.db2.gz MXIGGPJLHNWKRK-GJZGRUSLSA-N 1 2 372.531 2.874 20 30 FFEDLO COc1ccc(C[NH+]2CCOCC2)cc1-n1cc(C#N)c2ccc(N)cc21 ZINC001215551109 1041826171 /nfs/dbraw/zinc/82/61/71/1041826171.db2.gz CTBHLZBPLYRRQY-UHFFFAOYSA-N 1 2 362.433 2.925 20 30 FFEDLO C[C@H]1CCC(F)(F)CN1c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001262873378 1041918999 /nfs/dbraw/zinc/91/89/99/1041918999.db2.gz FYGXYMBFMXKJED-ZDUSSCGKSA-N 1 2 352.433 2.532 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(OC)c(O)c1Cl ZINC001276736022 1041973790 /nfs/dbraw/zinc/97/37/90/1041973790.db2.gz QCZBEFBOIZJRKT-LJQANCHMSA-N 1 2 362.857 2.644 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(OC)c(O)c1Cl ZINC001276736022 1041973792 /nfs/dbraw/zinc/97/37/92/1041973792.db2.gz QCZBEFBOIZJRKT-LJQANCHMSA-N 1 2 362.857 2.644 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC[C@@H](C)[C@H]1c1ccccc1 ZINC001262947541 1041982044 /nfs/dbraw/zinc/98/20/44/1041982044.db2.gz NRIDOPHDWHHFPY-BVBHFADKSA-N 1 2 367.497 2.789 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC[C@@H](C)[C@H]1c1ccccc1 ZINC001262947541 1041982048 /nfs/dbraw/zinc/98/20/48/1041982048.db2.gz NRIDOPHDWHHFPY-BVBHFADKSA-N 1 2 367.497 2.789 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)Cc1ccon1 ZINC001262980539 1042006487 /nfs/dbraw/zinc/00/64/87/1042006487.db2.gz MHFRHYYTXIKZMG-MRXNPFEDSA-N 1 2 355.446 2.921 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC(C(F)(F)F)CC1 ZINC001262990965 1042014763 /nfs/dbraw/zinc/01/47/63/1042014763.db2.gz VBFXVDYJTULGHY-UHFFFAOYSA-N 1 2 354.380 2.567 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(CC)CCc1ccccc1 ZINC001262991096 1042014871 /nfs/dbraw/zinc/01/48/71/1042014871.db2.gz YYQQKEWLFHTMIU-UHFFFAOYSA-N 1 2 350.470 2.857 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@H](CCF)C1 ZINC001263341748 1042250623 /nfs/dbraw/zinc/25/06/23/1042250623.db2.gz XNMSHQRYPALIHB-HOTGVXAUSA-N 1 2 351.470 2.576 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@H](CCF)C1 ZINC001263341748 1042250629 /nfs/dbraw/zinc/25/06/29/1042250629.db2.gz XNMSHQRYPALIHB-HOTGVXAUSA-N 1 2 351.470 2.576 20 30 FFEDLO C#CC1CCN(c2nnc([C@@H]3C[N@@H+](C(C)C)CCO3)n2CC(C)C)CC1 ZINC001263395350 1042279244 /nfs/dbraw/zinc/27/92/44/1042279244.db2.gz VSIYVEDLYWWUDS-SFHVURJKSA-N 1 2 359.518 2.565 20 30 FFEDLO C#CC1CCN(c2nnc([C@@H]3C[N@H+](C(C)C)CCO3)n2CC(C)C)CC1 ZINC001263395350 1042279249 /nfs/dbraw/zinc/27/92/49/1042279249.db2.gz VSIYVEDLYWWUDS-SFHVURJKSA-N 1 2 359.518 2.565 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC001263395441 1042279355 /nfs/dbraw/zinc/27/93/55/1042279355.db2.gz XPLOWGBATHVTMY-KURKYZTESA-N 1 2 374.533 2.844 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC001263395441 1042279360 /nfs/dbraw/zinc/27/93/60/1042279360.db2.gz XPLOWGBATHVTMY-KURKYZTESA-N 1 2 374.533 2.844 20 30 FFEDLO C[C@]1(C#N)CCCN(c2nnc(C[NH+]3CCCCC3)n2C[C@@H]2CCCO2)C1 ZINC001263462292 1042325218 /nfs/dbraw/zinc/32/52/18/1042325218.db2.gz JDOREVNUKZLVNC-FXAWDEMLSA-N 1 2 372.517 2.573 20 30 FFEDLO C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001264037150 1042590585 /nfs/dbraw/zinc/59/05/85/1042590585.db2.gz YGGHBEOGDCPKMX-NHCUHLMSSA-N 1 2 364.493 2.579 20 30 FFEDLO CC(C)C#CC(=O)N[C@H]1CC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)[C@@H]1C ZINC001264140877 1042634194 /nfs/dbraw/zinc/63/41/94/1042634194.db2.gz WWWFYTDXGMBMGL-UZLBHIALSA-N 1 2 368.456 2.750 20 30 FFEDLO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)[C@@H]1C ZINC001264140877 1042634197 /nfs/dbraw/zinc/63/41/97/1042634197.db2.gz WWWFYTDXGMBMGL-UZLBHIALSA-N 1 2 368.456 2.750 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C#N)CC[N@@H+]1Cc1nc(-c2cccc(C)c2)no1 ZINC001264603507 1042738272 /nfs/dbraw/zinc/73/82/72/1042738272.db2.gz GPPVDQRRZIZSOX-BHYGNILZSA-N 1 2 367.453 2.674 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C#N)CC[N@H+]1Cc1nc(-c2cccc(C)c2)no1 ZINC001264603507 1042738278 /nfs/dbraw/zinc/73/82/78/1042738278.db2.gz GPPVDQRRZIZSOX-BHYGNILZSA-N 1 2 367.453 2.674 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC001265471752 1042862147 /nfs/dbraw/zinc/86/21/47/1042862147.db2.gz VNSICKXWVCSMCW-PMACEKPBSA-N 1 2 357.498 2.819 20 30 FFEDLO N#CC[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC001538547385 1070450802 /nfs/dbraw/zinc/45/08/02/1070450802.db2.gz HSNKYAYCUQETSX-NRFANRHFSA-N 1 2 358.445 2.900 20 30 FFEDLO CC(C)(C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCCO1 ZINC001538547397 1070451086 /nfs/dbraw/zinc/45/10/86/1070451086.db2.gz IJWIBIUEGXAUBY-IBGZPJMESA-N 1 2 355.482 2.798 20 30 FFEDLO Cc1c(F)ccc(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c1F ZINC001279264664 1042973830 /nfs/dbraw/zinc/97/38/30/1042973830.db2.gz HDTUTNDERIJRAB-UHFFFAOYSA-N 1 2 356.420 2.801 20 30 FFEDLO Cc1nc(CNC(=O)[C@H]2CC23CC[NH+](Cc2[nH]ccc2C#N)CC3)cs1 ZINC001278063661 1043066699 /nfs/dbraw/zinc/06/66/99/1043066699.db2.gz ZVUKNLOFCIYPKE-MRXNPFEDSA-N 1 2 369.494 2.570 20 30 FFEDLO Cn1cc(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)c2cc(C#N)ccc21 ZINC001237472538 1043186763 /nfs/dbraw/zinc/18/67/63/1043186763.db2.gz JGTRUQPXRFWEGM-UHFFFAOYSA-N 1 2 374.444 2.714 20 30 FFEDLO N#Cc1cc(C[NH+]2CCC(NC(=O)c3ccncc3)CC2)c(F)cc1F ZINC001237538691 1043226533 /nfs/dbraw/zinc/22/65/33/1043226533.db2.gz VNYJSMSEYWNUNV-UHFFFAOYSA-N 1 2 356.376 2.626 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)c(OC)ccc2OC)C1 ZINC001237593980 1043261385 /nfs/dbraw/zinc/26/13/85/1043261385.db2.gz YLIBMZGMCRMMON-ZDUSSCGKSA-N 1 2 352.406 2.720 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2c(F)c(OC)ccc2OC)C1 ZINC001237593980 1043261388 /nfs/dbraw/zinc/26/13/88/1043261388.db2.gz YLIBMZGMCRMMON-ZDUSSCGKSA-N 1 2 352.406 2.720 20 30 FFEDLO COc1cc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)ccc1C#N ZINC001238414538 1043694712 /nfs/dbraw/zinc/69/47/12/1043694712.db2.gz VGVSWZXMTZLBII-UHFFFAOYSA-N 1 2 365.433 2.613 20 30 FFEDLO COc1cc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1C#N ZINC001238414538 1043694719 /nfs/dbraw/zinc/69/47/19/1043694719.db2.gz VGVSWZXMTZLBII-UHFFFAOYSA-N 1 2 365.433 2.613 20 30 FFEDLO Cc1noc(NC(=O)[C@@H]2CC23C[NH+](Cc2cc(F)cc(C#N)c2)C3)c1C ZINC001279818409 1043701330 /nfs/dbraw/zinc/70/13/30/1043701330.db2.gz MWTCFHJLBYEMDG-INIZCTEOSA-N 1 2 354.385 2.763 20 30 FFEDLO N#CC1(NC(=O)[C@H]2CC23CC[NH+](Cc2cnc(Cl)s2)CC3)CCC1 ZINC001279843415 1043760151 /nfs/dbraw/zinc/76/01/51/1043760151.db2.gz RSWCYMMVAVXPRN-CYBMUJFWSA-N 1 2 364.902 2.961 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)Nc2nccn2C)cc1 ZINC001279852384 1043775599 /nfs/dbraw/zinc/77/55/99/1043775599.db2.gz ZUMWXNAMYDDENN-UZLBHIALSA-N 1 2 352.438 2.588 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)Nc2nccn2C)cc1 ZINC001279852384 1043775609 /nfs/dbraw/zinc/77/56/09/1043775609.db2.gz ZUMWXNAMYDDENN-UZLBHIALSA-N 1 2 352.438 2.588 20 30 FFEDLO Cc1cc(C)c(C[N@@H+]2CCc3cc(C(=O)N4CC(CC#N)C4)[nH]c3C2)[nH]1 ZINC001279883268 1043841616 /nfs/dbraw/zinc/84/16/16/1043841616.db2.gz ADNOCBJRFDUBTG-UHFFFAOYSA-N 1 2 351.454 2.504 20 30 FFEDLO Cc1cc(C)c(C[N@H+]2CCc3cc(C(=O)N4CC(CC#N)C4)[nH]c3C2)[nH]1 ZINC001279883268 1043841624 /nfs/dbraw/zinc/84/16/24/1043841624.db2.gz ADNOCBJRFDUBTG-UHFFFAOYSA-N 1 2 351.454 2.504 20 30 FFEDLO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2cn(-c3cnccn3)cn2)C1 ZINC001238818436 1043912663 /nfs/dbraw/zinc/91/26/63/1043912663.db2.gz CHHNIIHRNWUVFQ-GOSISDBHSA-N 1 2 360.421 2.577 20 30 FFEDLO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cn(-c3cnccn3)cn2)C1 ZINC001238818436 1043912674 /nfs/dbraw/zinc/91/26/74/1043912674.db2.gz CHHNIIHRNWUVFQ-GOSISDBHSA-N 1 2 360.421 2.577 20 30 FFEDLO Cc1ccc(C#N)c(NC(=O)[C@@H]2CCSC23C[NH+](Cc2cn[nH]c2)C3)c1 ZINC001279918544 1043922169 /nfs/dbraw/zinc/92/21/69/1043922169.db2.gz SBHMNPGGMZZNJB-INIZCTEOSA-N 1 2 367.478 2.536 20 30 FFEDLO Cc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(Cc2ccc(C#N)cc2Cl)C3)n(C)n1 ZINC001280037195 1044116047 /nfs/dbraw/zinc/11/60/47/1044116047.db2.gz HPSNWKLSELZONC-APWZRJJASA-N 1 2 369.900 2.960 20 30 FFEDLO Cc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(Cc2ccc(C#N)cc2Cl)C3)n(C)n1 ZINC001280037195 1044116054 /nfs/dbraw/zinc/11/60/54/1044116054.db2.gz HPSNWKLSELZONC-APWZRJJASA-N 1 2 369.900 2.960 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)[C@@]13C[C@@H]1C[N@H+](Cc1cocn1)C3)CCCC2 ZINC001280079262 1044179988 /nfs/dbraw/zinc/17/99/88/1044179988.db2.gz VKRLAZUOFSEMKF-CWTRNNRKSA-N 1 2 368.462 2.947 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)[C@@]13C[C@@H]1C[N@@H+](Cc1cocn1)C3)CCCC2 ZINC001280079262 1044179997 /nfs/dbraw/zinc/17/99/97/1044179997.db2.gz VKRLAZUOFSEMKF-CWTRNNRKSA-N 1 2 368.462 2.947 20 30 FFEDLO C=CCOc1ccc(-c2ccc(OCC[NH+]3CCOCC3)cc2)nc1C#N ZINC001240449619 1044347916 /nfs/dbraw/zinc/34/79/16/1044347916.db2.gz YDEPKGHVSVNJSM-UHFFFAOYSA-N 1 2 365.433 2.896 20 30 FFEDLO C#CCN(C)c1nnc([C@H]2CCCOC2)n1CCCc1cccc(C)[nH+]1 ZINC001539176599 1070579687 /nfs/dbraw/zinc/57/96/87/1070579687.db2.gz RKQHYQCHWKGBRL-KRWDZBQOSA-N 1 2 353.470 2.578 20 30 FFEDLO CSCCC[N@@H+]1CCc2c([nH]nc2C(=O)Nc2cc(C)ccc2C#N)C1 ZINC001280276278 1044519215 /nfs/dbraw/zinc/51/92/15/1044519215.db2.gz GZBRPUMHBFNDNZ-UHFFFAOYSA-N 1 2 369.494 2.953 20 30 FFEDLO CSCCC[N@H+]1CCc2c([nH]nc2C(=O)Nc2cc(C)ccc2C#N)C1 ZINC001280276278 1044519229 /nfs/dbraw/zinc/51/92/29/1044519229.db2.gz GZBRPUMHBFNDNZ-UHFFFAOYSA-N 1 2 369.494 2.953 20 30 FFEDLO CCc1ccc(-c2noc(C[N@@H+]3CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]3C)n2)cc1 ZINC001316778399 1044935607 /nfs/dbraw/zinc/93/56/07/1044935607.db2.gz MPFRDZUSLXOPID-VBQJREDUSA-N 1 2 367.453 2.538 20 30 FFEDLO CCc1ccc(-c2noc(C[N@H+]3CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]3C)n2)cc1 ZINC001316778399 1044935615 /nfs/dbraw/zinc/93/56/15/1044935615.db2.gz MPFRDZUSLXOPID-VBQJREDUSA-N 1 2 367.453 2.538 20 30 FFEDLO C#CCN(CC)c1nnc(C(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001539344002 1070616700 /nfs/dbraw/zinc/61/67/00/1070616700.db2.gz VCXIMWWEPYFDLX-UHFFFAOYSA-N 1 2 352.486 2.905 20 30 FFEDLO N#Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(-n4cc[nH+]c4)c3)CC2=O)cc1 ZINC001318048906 1045200646 /nfs/dbraw/zinc/20/06/46/1045200646.db2.gz NKLKRIJLZSGUGC-INIZCTEOSA-N 1 2 371.400 2.736 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC[C@H]2C[C@H](F)C2)CC1 ZINC001539452164 1070640850 /nfs/dbraw/zinc/64/08/50/1070640850.db2.gz MRGSQBNATYGNGX-QAQDUYKDSA-N 1 2 361.509 2.760 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](CN2C[C@@H](COc3cc(C)cc(C)c3)OC2=O)C1 ZINC001320309542 1045388038 /nfs/dbraw/zinc/38/80/38/1045388038.db2.gz ZRRXNIRIVASAFI-MJGOQNOKSA-N 1 2 360.454 2.737 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](CN2C[C@@H](COc3cc(C)cc(C)c3)OC2=O)C1 ZINC001320309542 1045388040 /nfs/dbraw/zinc/38/80/40/1045388040.db2.gz ZRRXNIRIVASAFI-MJGOQNOKSA-N 1 2 360.454 2.737 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C)CCCC1 ZINC001282363370 1045543649 /nfs/dbraw/zinc/54/36/49/1045543649.db2.gz GUEPBJILWWJVHS-CVEARBPZSA-N 1 2 358.486 2.584 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1 ZINC001323730073 1045701092 /nfs/dbraw/zinc/70/10/92/1045701092.db2.gz QLDTZPHPDBEVDD-LBPRGKRZSA-N 1 2 368.359 2.797 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1 ZINC001323730073 1045701105 /nfs/dbraw/zinc/70/11/05/1045701105.db2.gz QLDTZPHPDBEVDD-LBPRGKRZSA-N 1 2 368.359 2.797 20 30 FFEDLO C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001282645012 1046010561 /nfs/dbraw/zinc/01/05/61/1046010561.db2.gz NAMOMQSUQRDTBA-VSZNYVQBSA-N 1 2 372.513 2.931 20 30 FFEDLO C#CCCCCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001282728199 1046133286 /nfs/dbraw/zinc/13/32/86/1046133286.db2.gz KBALEZFHGXDSQH-MKXGPGLRSA-N 1 2 370.497 2.666 20 30 FFEDLO C=CCC(CC=C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001282727922 1046133380 /nfs/dbraw/zinc/13/33/80/1046133380.db2.gz COYKLUJSGLDUIX-OWYHZJEWSA-N 1 2 370.497 2.851 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001325873641 1046670798 /nfs/dbraw/zinc/67/07/98/1046670798.db2.gz GLRAYJWYQJUHRF-SCTDSRPQSA-N 1 2 366.864 2.625 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001325873641 1046670804 /nfs/dbraw/zinc/67/08/04/1046670804.db2.gz GLRAYJWYQJUHRF-SCTDSRPQSA-N 1 2 366.864 2.625 20 30 FFEDLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(F)(F)c2ccccc2C#N)C[C@H](C)O1 ZINC001540612359 1070947491 /nfs/dbraw/zinc/94/74/91/1070947491.db2.gz YKEOLVHFXSOQRG-OKILXGFUSA-N 1 2 365.424 2.654 20 30 FFEDLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(F)(F)c2ccccc2C#N)C[C@H](C)O1 ZINC001540612359 1070947501 /nfs/dbraw/zinc/94/75/01/1070947501.db2.gz YKEOLVHFXSOQRG-OKILXGFUSA-N 1 2 365.424 2.654 20 30 FFEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001291964735 1049023747 /nfs/dbraw/zinc/02/37/47/1049023747.db2.gz SOIBKRGAVHFMDU-YRXWBPOGSA-N 1 2 370.497 2.666 20 30 FFEDLO CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCCNc1cccc[nH+]1 ZINC001292946190 1049445418 /nfs/dbraw/zinc/44/54/18/1049445418.db2.gz ICFSOPJRALEPMA-MRXNPFEDSA-N 1 2 374.485 2.697 20 30 FFEDLO C=CCn1c([C@@H](O)C=C)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001339836150 1050255254 /nfs/dbraw/zinc/25/52/54/1050255254.db2.gz DNKFWKIWJMOLCQ-KRWDZBQOSA-N 1 2 373.888 2.659 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccccc2F)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339857489 1050274893 /nfs/dbraw/zinc/27/48/93/1050274893.db2.gz VXJXMCACFLTLSZ-STXHMFSFSA-N 1 2 373.476 2.712 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccccc2F)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339857489 1050274901 /nfs/dbraw/zinc/27/49/01/1050274901.db2.gz VXJXMCACFLTLSZ-STXHMFSFSA-N 1 2 373.476 2.712 20 30 FFEDLO C=CCn1c([C@H](O)CC(C)(C)C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001339917136 1050333536 /nfs/dbraw/zinc/33/35/36/1050333536.db2.gz DMEICEGXRVWWLX-MRXNPFEDSA-N 1 2 370.501 2.655 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1ccccc1O ZINC001341756282 1050373298 /nfs/dbraw/zinc/37/32/98/1050373298.db2.gz QTBOVHKYJHEYLT-UHFFFAOYSA-N 1 2 352.442 2.521 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1cccc(C)n1 ZINC001341868204 1050476283 /nfs/dbraw/zinc/47/62/83/1050476283.db2.gz JEMSJMFGFSLEAS-UHFFFAOYSA-N 1 2 351.458 2.518 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCc2cc(O)ccc2C1 ZINC001341907019 1050506506 /nfs/dbraw/zinc/50/65/06/1050506506.db2.gz KLGLCCUOMNXCAN-GOSISDBHSA-N 1 2 353.470 2.889 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCc2cc(O)ccc2C1 ZINC001341907019 1050506510 /nfs/dbraw/zinc/50/65/10/1050506510.db2.gz KLGLCCUOMNXCAN-GOSISDBHSA-N 1 2 353.470 2.889 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001298906385 1050562505 /nfs/dbraw/zinc/56/25/05/1050562505.db2.gz AFHBOWZPFQNKSK-INIZCTEOSA-N 1 2 365.518 2.742 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001340194672 1050602901 /nfs/dbraw/zinc/60/29/01/1050602901.db2.gz CIGBHWUOIXWHMR-XWTMOSNGSA-N 1 2 357.502 2.626 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001340194672 1050602904 /nfs/dbraw/zinc/60/29/04/1050602904.db2.gz CIGBHWUOIXWHMR-XWTMOSNGSA-N 1 2 357.502 2.626 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@H](CF)C1 ZINC001340195933 1050604611 /nfs/dbraw/zinc/60/46/11/1050604611.db2.gz QHSQMXWWCJCGQM-IKGGRYGDSA-N 1 2 363.481 2.576 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@H](CF)C1 ZINC001340195933 1050604619 /nfs/dbraw/zinc/60/46/19/1050604619.db2.gz QHSQMXWWCJCGQM-IKGGRYGDSA-N 1 2 363.481 2.576 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001340315431 1050713268 /nfs/dbraw/zinc/71/32/68/1050713268.db2.gz CIQQCSADRGZRMS-RDGPPVDQSA-N 1 2 369.513 2.792 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001340315431 1050713284 /nfs/dbraw/zinc/71/32/84/1050713284.db2.gz CIQQCSADRGZRMS-RDGPPVDQSA-N 1 2 369.513 2.792 20 30 FFEDLO C=CCn1c([C@H](O)CC(C)C)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001340400981 1050794241 /nfs/dbraw/zinc/79/42/41/1050794241.db2.gz ZEIDXTQHPANPRS-QGZVFWFLSA-N 1 2 370.501 2.567 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001340420794 1050816147 /nfs/dbraw/zinc/81/61/47/1050816147.db2.gz DRAJHPLDUDGFCV-KRWDZBQOSA-N 1 2 369.517 2.697 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1CC(=C)C ZINC001342246280 1050837952 /nfs/dbraw/zinc/83/79/52/1050837952.db2.gz ANASPMNNPQJQRP-ROUUACIJSA-N 1 2 357.502 2.628 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1CC(=C)C ZINC001342246280 1050837960 /nfs/dbraw/zinc/83/79/60/1050837960.db2.gz ANASPMNNPQJQRP-ROUUACIJSA-N 1 2 357.502 2.628 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](C)[C@@H](F)C1 ZINC001342307201 1050902496 /nfs/dbraw/zinc/90/24/96/1050902496.db2.gz ZJSBYTWOSWTOPB-WBVHZDCISA-N 1 2 360.481 2.741 20 30 FFEDLO C=C(C)Cn1c(Nc2ccn(CC)n2)nnc1[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC001342344417 1050939834 /nfs/dbraw/zinc/93/98/34/1050939834.db2.gz NSUBEKMVUDKESH-CVEARBPZSA-N 1 2 371.489 2.740 20 30 FFEDLO C=C(C)Cn1c(Nc2ccn(CC)n2)nnc1[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC001342344417 1050939841 /nfs/dbraw/zinc/93/98/41/1050939841.db2.gz NSUBEKMVUDKESH-CVEARBPZSA-N 1 2 371.489 2.740 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@H](C)CC#N ZINC001342344750 1050940033 /nfs/dbraw/zinc/94/00/33/1050940033.db2.gz PWTDJPXWXWDGDQ-ZACQAIPSSA-N 1 2 358.490 2.518 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@H](C)CC#N ZINC001342344750 1050940035 /nfs/dbraw/zinc/94/00/35/1050940035.db2.gz PWTDJPXWXWDGDQ-ZACQAIPSSA-N 1 2 358.490 2.518 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C(C)(C)C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340573911 1050960517 /nfs/dbraw/zinc/96/05/17/1050960517.db2.gz ZUKLXUKPHYNGEW-YRNRMSPPSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C(C)(C)C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340573911 1050960528 /nfs/dbraw/zinc/96/05/28/1050960528.db2.gz ZUKLXUKPHYNGEW-YRNRMSPPSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H]1c1csc(C)n1 ZINC001342416758 1051012459 /nfs/dbraw/zinc/01/24/59/1051012459.db2.gz VJYIDCKKJHUEPX-OAHLLOKOSA-N 1 2 369.498 2.895 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001340911051 1051239929 /nfs/dbraw/zinc/23/99/29/1051239929.db2.gz OKBHTHYNCGMRMV-GJZGRUSLSA-N 1 2 362.547 2.721 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC=C(C)CC1 ZINC001343001609 1051617393 /nfs/dbraw/zinc/61/73/93/1051617393.db2.gz YDHKERDAZMCNRR-MSOLQXFVSA-N 1 2 357.502 2.936 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC=C(C)CC1 ZINC001343001609 1051617396 /nfs/dbraw/zinc/61/73/96/1051617396.db2.gz YDHKERDAZMCNRR-MSOLQXFVSA-N 1 2 357.502 2.936 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2CCCC[N@@H+]2C)n1CCCOCC ZINC001343117223 1051735654 /nfs/dbraw/zinc/73/56/54/1051735654.db2.gz ARURVOJCXALROQ-MSOLQXFVSA-N 1 2 359.518 2.854 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2CCCC[N@H+]2C)n1CCCOCC ZINC001343117223 1051735663 /nfs/dbraw/zinc/73/56/63/1051735663.db2.gz ARURVOJCXALROQ-MSOLQXFVSA-N 1 2 359.518 2.854 20 30 FFEDLO CS[C@@H](C)CC(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001344937046 1052146263 /nfs/dbraw/zinc/14/62/63/1052146263.db2.gz OSKRFJLUIGUEHY-AWEZNQCLSA-N 1 2 353.509 2.617 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2CCC(C#N)CC2)n1Cc1cccs1 ZINC001343558860 1052305426 /nfs/dbraw/zinc/30/54/26/1052305426.db2.gz NPBOPDYWPYMSQZ-MRXNPFEDSA-N 1 2 356.499 2.895 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2CCC(C#N)CC2)n1Cc1cccs1 ZINC001343558860 1052305432 /nfs/dbraw/zinc/30/54/32/1052305432.db2.gz NPBOPDYWPYMSQZ-MRXNPFEDSA-N 1 2 356.499 2.895 20 30 FFEDLO C[C@H]1[C@H](c2cccc(F)c2)OCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC001307869265 1052359357 /nfs/dbraw/zinc/35/93/57/1052359357.db2.gz QZCIEAZMPYTZJX-ZYSHUDEJSA-N 1 2 362.445 2.659 20 30 FFEDLO C[C@H]1[C@H](c2cccc(F)c2)OCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC001307869265 1052359365 /nfs/dbraw/zinc/35/93/65/1052359365.db2.gz QZCIEAZMPYTZJX-ZYSHUDEJSA-N 1 2 362.445 2.659 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@H+](Cc3cc(=O)oc4cc(O)ccc34)CCO2)cc1 ZINC001308113687 1052410733 /nfs/dbraw/zinc/41/07/33/1052410733.db2.gz GMHLJJICURIJCS-FQEVSTJZSA-N 1 2 362.385 2.944 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@@H+](Cc3cc(=O)oc4cc(O)ccc34)CCO2)cc1 ZINC001308113687 1052410736 /nfs/dbraw/zinc/41/07/36/1052410736.db2.gz GMHLJJICURIJCS-FQEVSTJZSA-N 1 2 362.385 2.944 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(F)(F)c3ccccc3)n2CC2CC2)CC1 ZINC001346539076 1053086306 /nfs/dbraw/zinc/08/63/06/1053086306.db2.gz FFWSKPQXFVYUDP-UHFFFAOYSA-N 1 2 371.435 2.583 20 30 FFEDLO C[C@H]1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)C[C@@H]1F ZINC001346601688 1053145565 /nfs/dbraw/zinc/14/55/65/1053145565.db2.gz GVUKYEFJHTUHCG-YJBOKZPZSA-N 1 2 374.508 2.965 20 30 FFEDLO C=CCN(CC=C)c1nnc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC(=C)C ZINC001346647605 1053182645 /nfs/dbraw/zinc/18/26/45/1053182645.db2.gz VYTNUKYGRDQBBR-ZWKOTPCHSA-N 1 2 357.502 2.958 20 30 FFEDLO C=CCN(CC=C)c1nnc([C@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC(=C)C ZINC001346647605 1053182647 /nfs/dbraw/zinc/18/26/47/1053182647.db2.gz VYTNUKYGRDQBBR-ZWKOTPCHSA-N 1 2 357.502 2.958 20 30 FFEDLO C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C[C@H]1CCCCO1 ZINC001347213507 1053726895 /nfs/dbraw/zinc/72/68/95/1053726895.db2.gz PCBCYLHTWJDJTR-ZACQAIPSSA-N 1 2 360.506 2.742 20 30 FFEDLO C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1C[C@H]1CCCCO1 ZINC001347213507 1053726900 /nfs/dbraw/zinc/72/69/00/1053726900.db2.gz PCBCYLHTWJDJTR-ZACQAIPSSA-N 1 2 360.506 2.742 20 30 FFEDLO Cn1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)c(C2CCCC2)n1 ZINC001336813978 1054250284 /nfs/dbraw/zinc/25/02/84/1054250284.db2.gz VXYWLMABZUZINH-UHFFFAOYSA-N 1 2 350.470 2.667 20 30 FFEDLO C=CCCC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001348080160 1054628185 /nfs/dbraw/zinc/62/81/85/1054628185.db2.gz CELCZGIXKYBNHW-ZWOKBUDYSA-N 1 2 358.486 2.545 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccc(F)cc2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001352061740 1055163222 /nfs/dbraw/zinc/16/32/22/1055163222.db2.gz AUJYDEYPBFQYJE-CFLQYTFWSA-N 1 2 373.476 2.712 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccc(F)cc2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001352061740 1055163225 /nfs/dbraw/zinc/16/32/25/1055163225.db2.gz AUJYDEYPBFQYJE-CFLQYTFWSA-N 1 2 373.476 2.712 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2c2ccsc2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001352064499 1055164804 /nfs/dbraw/zinc/16/48/04/1055164804.db2.gz ZWWONFXWDQJRCY-FRQCXROJSA-N 1 2 373.526 2.779 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2c2ccsc2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001352064499 1055164807 /nfs/dbraw/zinc/16/48/07/1055164807.db2.gz ZWWONFXWDQJRCY-FRQCXROJSA-N 1 2 373.526 2.779 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@]2(CCSC2)C1 ZINC001352092941 1055187493 /nfs/dbraw/zinc/18/74/93/1055187493.db2.gz DZLUEAYOLLPBOJ-SFHVURJKSA-N 1 2 358.515 2.512 20 30 FFEDLO COc1cc(C#N)ccc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001356045751 1055243729 /nfs/dbraw/zinc/24/37/29/1055243729.db2.gz ZDTCCFZEWRHOCF-UHFFFAOYSA-N 1 2 350.353 2.822 20 30 FFEDLO N#Cc1cccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1Br ZINC001352188039 1055258254 /nfs/dbraw/zinc/25/82/54/1055258254.db2.gz MWEHXVSBFYAZBQ-UHFFFAOYSA-N 1 2 371.238 2.678 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C/C=C\C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001356135250 1055322216 /nfs/dbraw/zinc/32/22/16/1055322216.db2.gz VCJXEASPISZFAC-HSWOGINISA-N 1 2 359.518 2.558 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C/C=C\C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001356135250 1055322230 /nfs/dbraw/zinc/32/22/30/1055322230.db2.gz VCJXEASPISZFAC-HSWOGINISA-N 1 2 359.518 2.558 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1ccc2cc[nH]c2c1 ZINC001356153032 1055338262 /nfs/dbraw/zinc/33/82/62/1055338262.db2.gz SGDCGSUYIMJPAK-UHFFFAOYSA-N 1 2 361.453 2.906 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001356210646 1055389039 /nfs/dbraw/zinc/38/90/39/1055389039.db2.gz NMTRYTDFNKJSLI-ROUUACIJSA-N 1 2 354.502 2.793 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(CCC#N)CC1CC1 ZINC001356378469 1055478701 /nfs/dbraw/zinc/47/87/01/1055478701.db2.gz MEHWXDVAWMJQJE-UHFFFAOYSA-N 1 2 355.490 2.521 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](Cc3ccccc3)CCO2)nnc1N(C)CCCF ZINC001338806451 1055833783 /nfs/dbraw/zinc/83/37/83/1055833783.db2.gz DEIYNRZVLZGEHF-SFHVURJKSA-N 1 2 373.476 2.833 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nnc1N(C)CCCF ZINC001338806451 1055833788 /nfs/dbraw/zinc/83/37/88/1055833788.db2.gz DEIYNRZVLZGEHF-SFHVURJKSA-N 1 2 373.476 2.833 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@H]1C1CCCCC1 ZINC001338895380 1055912037 /nfs/dbraw/zinc/91/20/37/1055912037.db2.gz OYFLSSVDTFNNEI-SQNIBIBYSA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@H]1C1CCCCC1 ZINC001338895380 1055912047 /nfs/dbraw/zinc/91/20/47/1055912047.db2.gz OYFLSSVDTFNNEI-SQNIBIBYSA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@@H]1c1ccccc1 ZINC001338896443 1055914847 /nfs/dbraw/zinc/91/48/47/1055914847.db2.gz WGFZUUZCGNLDBY-KURKYZTESA-N 1 2 353.470 2.543 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H]1c1ccccc1 ZINC001338896443 1055914857 /nfs/dbraw/zinc/91/48/57/1055914857.db2.gz WGFZUUZCGNLDBY-KURKYZTESA-N 1 2 353.470 2.543 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1Cc2ccc(OC)cc2C1 ZINC001338926592 1055940436 /nfs/dbraw/zinc/94/04/36/1055940436.db2.gz FJYJLDOSAUROAJ-UHFFFAOYSA-N 1 2 353.470 2.979 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2ncsc2Nc2ccccc2C)CC1 ZINC001544084852 1071593229 /nfs/dbraw/zinc/59/32/29/1071593229.db2.gz VFMVBFIKXSRZHA-UHFFFAOYSA-N 1 2 354.479 2.976 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2ncsc2Nc2ccccc2C)CC1 ZINC001544084852 1071593236 /nfs/dbraw/zinc/59/32/36/1071593236.db2.gz VFMVBFIKXSRZHA-UHFFFAOYSA-N 1 2 354.479 2.976 20 30 FFEDLO C=CCn1c(N2CCC[C@]3(CC=CCC3)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339069875 1056065010 /nfs/dbraw/zinc/06/50/10/1056065010.db2.gz SCLOFWNUPUXFOC-JRGCBEDISA-N 1 2 371.529 2.702 20 30 FFEDLO C=CCn1c(N2CCC[C@]3(CC=CCC3)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339069875 1056065020 /nfs/dbraw/zinc/06/50/20/1056065020.db2.gz SCLOFWNUPUXFOC-JRGCBEDISA-N 1 2 371.529 2.702 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCC[C@](C)(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001358852399 1056501490 /nfs/dbraw/zinc/50/14/90/1056501490.db2.gz XZNXLMXAAXSSMR-JXXFODFXSA-N 1 2 370.497 2.614 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCC[C@](C)(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001358852399 1056501503 /nfs/dbraw/zinc/50/15/03/1056501503.db2.gz XZNXLMXAAXSSMR-JXXFODFXSA-N 1 2 370.497 2.614 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCCCS2)CC1 ZINC001359028893 1056665283 /nfs/dbraw/zinc/66/52/83/1056665283.db2.gz IISQNJSJJGGWEJ-DLBZAZTESA-N 1 2 361.559 2.833 20 30 FFEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC001300400087 1058178075 /nfs/dbraw/zinc/17/80/75/1058178075.db2.gz NXVIPCHVDSBSOK-NRFANRHFSA-N 1 2 372.428 2.924 20 30 FFEDLO C#CCN(C)c1nnc(CC(C)C)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001300464664 1058429471 /nfs/dbraw/zinc/42/94/71/1058429471.db2.gz HHJZKBBACHSEFK-UHFFFAOYSA-N 1 2 366.444 2.919 20 30 FFEDLO C#CCN(CC#C)c1nnc(C(C)(C)C)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001300509547 1058571955 /nfs/dbraw/zinc/57/19/55/1058571955.db2.gz OTRKSNAIGKWVQM-KRWDZBQOSA-N 1 2 364.497 2.731 20 30 FFEDLO C=CCN(CCc1ccco1)c1nnc(Cc2[nH+]ccn2C)n1CC1CC1 ZINC001519586151 1058856692 /nfs/dbraw/zinc/85/66/92/1058856692.db2.gz DCLPLXRGWHXQMV-UHFFFAOYSA-N 1 2 366.469 2.841 20 30 FFEDLO C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1Cc1c[nH+]ccc1OC ZINC001300584010 1058882701 /nfs/dbraw/zinc/88/27/01/1058882701.db2.gz NGCWJGJXSOPABB-UHFFFAOYSA-N 1 2 365.481 2.782 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC1CC1 ZINC001519670701 1058939171 /nfs/dbraw/zinc/93/91/71/1058939171.db2.gz XDAQPIMMRGYDNX-GUDVDZBRSA-N 1 2 369.513 2.606 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC1CC1 ZINC001519670701 1058939192 /nfs/dbraw/zinc/93/91/92/1058939192.db2.gz XDAQPIMMRGYDNX-GUDVDZBRSA-N 1 2 369.513 2.606 20 30 FFEDLO COCC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001503678028 1059082653 /nfs/dbraw/zinc/08/26/53/1059082653.db2.gz MHLPNOGIBBEVRX-KAGYGMCKSA-N 1 2 352.478 2.542 20 30 FFEDLO COCC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001503678028 1059082675 /nfs/dbraw/zinc/08/26/75/1059082675.db2.gz MHLPNOGIBBEVRX-KAGYGMCKSA-N 1 2 352.478 2.542 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2Cc2c(C)coc2C)CC1 ZINC001300682171 1059316287 /nfs/dbraw/zinc/31/62/87/1059316287.db2.gz HYXMECOWYSONQA-HNNXBMFYSA-N 1 2 355.486 2.805 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2CCCC2CCCC2)CC1 ZINC001300706664 1059436597 /nfs/dbraw/zinc/43/65/97/1059436597.db2.gz QVPQRWXRSDAEAN-UHFFFAOYSA-N 1 2 355.530 2.956 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC(c2ccncn2)CC1 ZINC001515297151 1059513241 /nfs/dbraw/zinc/51/32/41/1059513241.db2.gz SARAIQJCWMFGBE-SFHVURJKSA-N 1 2 367.501 2.795 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC(c2ccncn2)CC1 ZINC001515297151 1059513261 /nfs/dbraw/zinc/51/32/61/1059513261.db2.gz SARAIQJCWMFGBE-SFHVURJKSA-N 1 2 367.501 2.795 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CC[C@H](F)C2)CC1 ZINC001507720813 1059699115 /nfs/dbraw/zinc/69/91/15/1059699115.db2.gz MVMOCVMUJOPBJZ-SJORKVTESA-N 1 2 371.460 2.740 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)NCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001510046824 1060160491 /nfs/dbraw/zinc/16/04/91/1060160491.db2.gz IJYAHGFOFVETRB-MRVWCRGKSA-N 1 2 366.893 2.693 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)NCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001510046824 1060160502 /nfs/dbraw/zinc/16/05/02/1060160502.db2.gz IJYAHGFOFVETRB-MRVWCRGKSA-N 1 2 366.893 2.693 20 30 FFEDLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)C1 ZINC001520905867 1060189338 /nfs/dbraw/zinc/18/93/38/1060189338.db2.gz KFWHPISPQVZMHH-MJGOQNOKSA-N 1 2 366.465 2.949 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1C ZINC001355734076 1060547235 /nfs/dbraw/zinc/54/72/35/1060547235.db2.gz JZFFSMDFPULUHY-WBVHZDCISA-N 1 2 373.526 2.995 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)n1C ZINC001355734076 1060547252 /nfs/dbraw/zinc/54/72/52/1060547252.db2.gz JZFFSMDFPULUHY-WBVHZDCISA-N 1 2 373.526 2.995 20 30 FFEDLO COc1cc(NC(=O)N2CCC(c3c[nH+]cn3C)CC2)c(F)cc1C#N ZINC001517708901 1060604045 /nfs/dbraw/zinc/60/40/45/1060604045.db2.gz NCMZTWXXXOZRKQ-UHFFFAOYSA-N 1 2 357.389 2.851 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001458880338 1060674183 /nfs/dbraw/zinc/67/41/83/1060674183.db2.gz QMUMTBCCNWYTAF-UHFFFAOYSA-N 1 2 350.378 2.792 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001512847864 1060718779 /nfs/dbraw/zinc/71/87/79/1060718779.db2.gz XWQBXQDGCRNFQT-ZRGWGRIASA-N 1 2 366.465 2.838 20 30 FFEDLO C=C(C)Cn1c(N2CCC3(CCCC3)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001355946828 1060752696 /nfs/dbraw/zinc/75/26/96/1060752696.db2.gz HYCBNMCVLGVZBL-APWZRJJASA-N 1 2 359.518 2.536 20 30 FFEDLO C=C(C)Cn1c(N2CCC3(CCCC3)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001355946828 1060752711 /nfs/dbraw/zinc/75/27/11/1060752711.db2.gz HYCBNMCVLGVZBL-APWZRJJASA-N 1 2 359.518 2.536 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC001355977067 1060776191 /nfs/dbraw/zinc/77/61/91/1060776191.db2.gz PLDVUXJTGSQUHX-WOYCLPQFSA-N 1 2 364.497 2.827 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](CO)c3cc(F)ccc3F)C2=O)cc1 ZINC001460946502 1061160375 /nfs/dbraw/zinc/16/03/75/1061160375.db2.gz HLXUTMFACZUHTR-RBUKOAKNSA-N 1 2 371.387 2.655 20 30 FFEDLO N#CCc1ccc(C[N@@H+]2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 ZINC001460960438 1061166469 /nfs/dbraw/zinc/16/64/69/1061166469.db2.gz KLTVTUSFTYDWDB-CVEARBPZSA-N 1 2 372.412 2.694 20 30 FFEDLO N#CCc1ccc(C[N@H+]2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 ZINC001460960438 1061166479 /nfs/dbraw/zinc/16/64/79/1061166479.db2.gz KLTVTUSFTYDWDB-CVEARBPZSA-N 1 2 372.412 2.694 20 30 FFEDLO CC#CCCCC(=O)NCCC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001527849260 1061652270 /nfs/dbraw/zinc/65/22/70/1061652270.db2.gz KVRWMYOUDOBSMP-RCCFBDPRSA-N 1 2 370.497 2.594 20 30 FFEDLO CC#CCCCC(=O)NCCC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001527849260 1061652278 /nfs/dbraw/zinc/65/22/78/1061652278.db2.gz KVRWMYOUDOBSMP-RCCFBDPRSA-N 1 2 370.497 2.594 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001522205577 1061726384 /nfs/dbraw/zinc/72/63/84/1061726384.db2.gz JPNDLHZRPHCZHO-SQNIBIBYSA-N 1 2 366.465 2.861 20 30 FFEDLO C=C(C)[C@H](NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC001528255453 1061829763 /nfs/dbraw/zinc/82/97/63/1061829763.db2.gz UVFIEBPCPXMGIS-KSSFIOAISA-N 1 2 366.456 2.517 20 30 FFEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2c(C#N)sc3ccccc32)C[C@@H]1C ZINC001463433697 1062102386 /nfs/dbraw/zinc/10/23/86/1062102386.db2.gz NDDNBAGIMYLLCB-QWHCGFSZSA-N 1 2 363.508 2.876 20 30 FFEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2c(C#N)sc3ccccc32)C[C@@H]1C ZINC001463433697 1062102392 /nfs/dbraw/zinc/10/23/92/1062102392.db2.gz NDDNBAGIMYLLCB-QWHCGFSZSA-N 1 2 363.508 2.876 20 30 FFEDLO Cc1onc(CC(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c1C#N ZINC001529293424 1062254229 /nfs/dbraw/zinc/25/42/29/1062254229.db2.gz GJBJWVSYDKYJLT-CQSZACIVSA-N 1 2 355.442 2.755 20 30 FFEDLO C=CCN(C)C(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001435960770 1062602930 /nfs/dbraw/zinc/60/29/30/1062602930.db2.gz GVPZYVLINAMMHK-UHFFFAOYSA-N 1 2 361.486 2.658 20 30 FFEDLO C=CCN(C)C(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001435960770 1062602934 /nfs/dbraw/zinc/60/29/34/1062602934.db2.gz GVPZYVLINAMMHK-UHFFFAOYSA-N 1 2 361.486 2.658 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@](O)(C(F)(F)F)C1 ZINC001524338540 1062806125 /nfs/dbraw/zinc/80/61/25/1062806125.db2.gz WGQKOYFFQIGSDP-BBRMVZONSA-N 1 2 373.423 2.515 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@](O)(C(F)(F)F)C1 ZINC001524338540 1062806148 /nfs/dbraw/zinc/80/61/48/1062806148.db2.gz WGQKOYFFQIGSDP-BBRMVZONSA-N 1 2 373.423 2.515 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC001524346932 1062811249 /nfs/dbraw/zinc/81/12/49/1062811249.db2.gz KYOUAUIVWRRZMT-MSOLQXFVSA-N 1 2 359.518 2.845 20 30 FFEDLO CCOCCCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](C#N)C1 ZINC001524519937 1062878661 /nfs/dbraw/zinc/87/86/61/1062878661.db2.gz MSHQCFWJAQNPDR-IAGOWNOFSA-N 1 2 360.506 2.601 20 30 FFEDLO CCOCCCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](C#N)C1 ZINC001524519937 1062878681 /nfs/dbraw/zinc/87/86/81/1062878681.db2.gz MSHQCFWJAQNPDR-IAGOWNOFSA-N 1 2 360.506 2.601 20 30 FFEDLO N#CC[C@@]1(O)CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC001466433417 1063431965 /nfs/dbraw/zinc/43/19/65/1063431965.db2.gz LLDYDSOQJVZMLF-HXUWFJFHSA-N 1 2 365.437 2.769 20 30 FFEDLO C#C[C@@H](NC(=O)NCc1ccc[nH+]c1N)c1ccc(Br)cc1 ZINC001470662286 1064404017 /nfs/dbraw/zinc/40/40/17/1064404017.db2.gz DHYJDCWEMDMSBJ-CQSZACIVSA-N 1 2 359.227 2.600 20 30 FFEDLO N#Cc1c(F)ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)c1N ZINC001470739245 1064434545 /nfs/dbraw/zinc/43/45/45/1064434545.db2.gz MJPNZTYWSNPLAM-QGZVFWFLSA-N 1 2 353.401 2.668 20 30 FFEDLO N#Cc1c(F)ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)c1N ZINC001470739245 1064434548 /nfs/dbraw/zinc/43/45/48/1064434548.db2.gz MJPNZTYWSNPLAM-QGZVFWFLSA-N 1 2 353.401 2.668 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)[nH]c1C(C)C ZINC001474696937 1065582700 /nfs/dbraw/zinc/58/27/00/1065582700.db2.gz OQXQRVZVJVPTTN-UHFFFAOYSA-N 1 2 367.453 2.514 20 30 FFEDLO C=CCC(C)(C)C(=O)NC1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001579274907 1078608287 /nfs/dbraw/zinc/60/82/87/1078608287.db2.gz MBVRKVVTSGFUNE-QDIHITRGSA-N 1 2 358.486 2.659 20 30 FFEDLO C=CCC(C)(C)C(=O)NC1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001579274907 1078608289 /nfs/dbraw/zinc/60/82/89/1078608289.db2.gz MBVRKVVTSGFUNE-QDIHITRGSA-N 1 2 358.486 2.659 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001582728894 1079104115 /nfs/dbraw/zinc/10/41/15/1079104115.db2.gz SWUHEVVMLIDXPI-WRQOLXDDSA-N 1 2 358.486 2.659 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001582728894 1079104116 /nfs/dbraw/zinc/10/41/16/1079104116.db2.gz SWUHEVVMLIDXPI-WRQOLXDDSA-N 1 2 358.486 2.659 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc(-c3c(F)cccc3F)s2)C1 ZINC001558328896 1075983085 /nfs/dbraw/zinc/98/30/85/1075983085.db2.gz HIAWFSKFLFHPOV-LBPRGKRZSA-N 1 2 361.417 2.916 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(-c3c(F)cccc3F)s2)C1 ZINC001558328896 1075983087 /nfs/dbraw/zinc/98/30/87/1075983087.db2.gz HIAWFSKFLFHPOV-LBPRGKRZSA-N 1 2 361.417 2.916 20 30 FFEDLO N#Cc1cncc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c1 ZINC001558451783 1076009398 /nfs/dbraw/zinc/00/93/98/1076009398.db2.gz ZVBCRSCZGZZWDB-GOSISDBHSA-N 1 2 354.841 2.887 20 30 FFEDLO N#Cc1cncc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c1 ZINC001558451783 1076009401 /nfs/dbraw/zinc/00/94/01/1076009401.db2.gz ZVBCRSCZGZZWDB-GOSISDBHSA-N 1 2 354.841 2.887 20 30 FFEDLO CN(CC[NH+]1CCN(Cc2ccccc2)CC1)c1cc(F)ccc1C#N ZINC001559188005 1076133570 /nfs/dbraw/zinc/13/35/70/1076133570.db2.gz LBVQFPAZMMSGDF-UHFFFAOYSA-N 1 2 352.457 2.951 20 30 FFEDLO COc1cc([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)ccc1S(C)(=O)=O ZINC001561050623 1076325228 /nfs/dbraw/zinc/32/52/28/1076325228.db2.gz BTEZYLWOIOXFGT-GFCCVEGCSA-N 1 2 362.426 2.960 20 30 FFEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N(CCCC)c2cc[nH+]cc2)c1 ZINC001561831656 1076430511 /nfs/dbraw/zinc/43/05/11/1076430511.db2.gz VGMGIMGNEUVTHH-UHFFFAOYSA-N 1 2 373.478 2.993 20 30 FFEDLO CC(C)C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC001561957616 1076453614 /nfs/dbraw/zinc/45/36/14/1076453614.db2.gz JHYOUOXMMWQTAV-KRWDZBQOSA-N 1 2 363.527 2.839 20 30 FFEDLO CC(C)C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC001561957616 1076453615 /nfs/dbraw/zinc/45/36/15/1076453615.db2.gz JHYOUOXMMWQTAV-KRWDZBQOSA-N 1 2 363.527 2.839 20 30 FFEDLO C#CCSCCNC(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC001564114192 1076606775 /nfs/dbraw/zinc/60/67/75/1076606775.db2.gz FQMUNGHUDUBJOH-SFHVURJKSA-N 1 2 363.502 2.970 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC001565814897 1076770223 /nfs/dbraw/zinc/77/02/23/1076770223.db2.gz MQYRBDDQCMJLSR-UHFFFAOYSA-N 1 2 352.478 2.696 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC001565814897 1076770227 /nfs/dbraw/zinc/77/02/27/1076770227.db2.gz MQYRBDDQCMJLSR-UHFFFAOYSA-N 1 2 352.478 2.696 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2noc3c2CCCC3)[C@@H]1C ZINC001566081792 1076888378 /nfs/dbraw/zinc/88/83/78/1076888378.db2.gz IBKISAVYMRQDER-INMHGKMJSA-N 1 2 361.486 2.614 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2noc3c2CCCC3)[C@@H]1C ZINC001566081792 1076888381 /nfs/dbraw/zinc/88/83/81/1076888381.db2.gz IBKISAVYMRQDER-INMHGKMJSA-N 1 2 361.486 2.614 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(C(C)(F)F)CC2)[C@H]1C ZINC001566103516 1076907871 /nfs/dbraw/zinc/90/78/71/1076907871.db2.gz NCZMAOUTWKVQPC-MNOVXSKESA-N 1 2 351.235 2.909 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(C(C)(F)F)CC2)[C@H]1C ZINC001566103516 1076907873 /nfs/dbraw/zinc/90/78/73/1076907873.db2.gz NCZMAOUTWKVQPC-MNOVXSKESA-N 1 2 351.235 2.909 20 30 FFEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001567332504 1077016386 /nfs/dbraw/zinc/01/63/86/1077016386.db2.gz MEEASDQYNHAWDD-INIZCTEOSA-N 1 2 363.425 2.870 20 30 FFEDLO C=CCC[C@@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C(=O)OCC ZINC001569186997 1077133682 /nfs/dbraw/zinc/13/36/82/1077133682.db2.gz NFMYUHWBNFKNEQ-IAGOWNOFSA-N 1 2 355.438 2.946 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1CC)C1CC[NH+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001569592947 1077153896 /nfs/dbraw/zinc/15/38/96/1077153896.db2.gz IBZIOXYKDIBMEK-YSVLISHTSA-N 1 2 360.527 2.880 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@H](CCCC)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001571916134 1077288699 /nfs/dbraw/zinc/28/86/99/1077288699.db2.gz WXPQIYOWUZOBFU-ARFHVFGLSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@H](CCCC)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001571916134 1077288704 /nfs/dbraw/zinc/28/87/04/1077288704.db2.gz WXPQIYOWUZOBFU-ARFHVFGLSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NCC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001574025568 1077875209 /nfs/dbraw/zinc/87/52/09/1077875209.db2.gz JSDUJEDAJIHZIQ-QBPKDAKJSA-N 1 2 372.513 2.716 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NCC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001574025568 1077875211 /nfs/dbraw/zinc/87/52/11/1077875211.db2.gz JSDUJEDAJIHZIQ-QBPKDAKJSA-N 1 2 372.513 2.716 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCCn2cc[nH+]c2)CCC1 ZINC001574360236 1077967381 /nfs/dbraw/zinc/96/73/81/1077967381.db2.gz REKUKSYWOCIEFA-SQNIBIBYSA-N 1 2 370.497 2.658 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001574461067 1077994295 /nfs/dbraw/zinc/99/42/95/1077994295.db2.gz VFVCWXVDRQJNLM-SRABZTEZSA-N 1 2 370.497 2.680 20 30 FFEDLO C#C[C@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC001588332582 1079987603 /nfs/dbraw/zinc/98/76/03/1079987603.db2.gz NGSSTQUVZNVZML-NSHDSACASA-N 1 2 370.363 2.866 20 30 FFEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001588649092 1080139389 /nfs/dbraw/zinc/13/93/89/1080139389.db2.gz ZRMLJDSDCNSOJM-UHFFFAOYSA-N 1 2 373.420 2.651 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CCc2ccc(F)cc2)CC1 ZINC001588742153 1080177746 /nfs/dbraw/zinc/17/77/46/1080177746.db2.gz OKCKAXWGAJKBAF-QGZVFWFLSA-N 1 2 369.488 2.929 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2Cc2nc(C(C)C)cs2)CC1 ZINC001588806402 1080204301 /nfs/dbraw/zinc/20/43/01/1080204301.db2.gz PEXKLHPTFGFMMA-UHFFFAOYSA-N 1 2 370.526 2.539 20 30 FFEDLO Cc1cc(=NC(=O)N2CC[NH+](Cc3ccsc3)CC2)[nH]n1CCC#N ZINC000538615555 540873132 /nfs/dbraw/zinc/87/31/32/540873132.db2.gz QKXUGDFDIDQVJM-UHFFFAOYSA-N 1 2 358.471 2.516 20 30 FFEDLO COc1cc[nH+]c(CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000106859725 250294462 /nfs/dbraw/zinc/29/44/62/250294462.db2.gz YYJSUPHTPXEUAQ-UHFFFAOYSA-N 1 2 365.393 2.532 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370897781 512122713 /nfs/dbraw/zinc/12/27/13/512122713.db2.gz JJVCUKAXMHFOQS-INIZCTEOSA-N 1 2 374.872 2.627 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370897781 512122718 /nfs/dbraw/zinc/12/27/18/512122718.db2.gz JJVCUKAXMHFOQS-INIZCTEOSA-N 1 2 374.872 2.627 20 30 FFEDLO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ncn(C)n1 ZINC000275598912 256028297 /nfs/dbraw/zinc/02/82/97/256028297.db2.gz RJHPBWYFIRJOHH-LBPRGKRZSA-N 1 2 372.498 2.697 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCc4cccnc43)CC2)cc1 ZINC000277964303 256261131 /nfs/dbraw/zinc/26/11/31/256261131.db2.gz KXBSUKQJVSZCRW-HXUWFJFHSA-N 1 2 360.461 2.718 20 30 FFEDLO COc1cc[nH+]cc1COC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000286709602 257051053 /nfs/dbraw/zinc/05/10/53/257051053.db2.gz CZVIYHLJHIZDLV-AWEZNQCLSA-N 1 2 355.369 2.671 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](OCc3ccncc3)C2)c(C#N)c1C ZINC000287563964 257096049 /nfs/dbraw/zinc/09/60/49/257096049.db2.gz BKPVZKNBQHVVLF-PBHICJAKSA-N 1 2 368.437 2.781 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](OCc3ccncc3)C2)c(C#N)c1C ZINC000287563964 257096050 /nfs/dbraw/zinc/09/60/50/257096050.db2.gz BKPVZKNBQHVVLF-PBHICJAKSA-N 1 2 368.437 2.781 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](OCc3ccncc3)C2)c(C#N)c1C ZINC000287566122 257096165 /nfs/dbraw/zinc/09/61/65/257096165.db2.gz BKPVZKNBQHVVLF-YOEHRIQHSA-N 1 2 368.437 2.781 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](OCc3ccncc3)C2)c(C#N)c1C ZINC000287566122 257096166 /nfs/dbraw/zinc/09/61/66/257096166.db2.gz BKPVZKNBQHVVLF-YOEHRIQHSA-N 1 2 368.437 2.781 20 30 FFEDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290217191 257320748 /nfs/dbraw/zinc/32/07/48/257320748.db2.gz HRQMAYSOKVVTNZ-GFCCVEGCSA-N 1 2 365.405 2.698 20 30 FFEDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290217191 257320749 /nfs/dbraw/zinc/32/07/49/257320749.db2.gz HRQMAYSOKVVTNZ-GFCCVEGCSA-N 1 2 365.405 2.698 20 30 FFEDLO COc1cncc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000290278935 257323626 /nfs/dbraw/zinc/32/36/26/257323626.db2.gz MBDSYKNKXXPGTC-UHFFFAOYSA-N 1 2 359.433 2.832 20 30 FFEDLO COCc1cc(NCCCc2[nH]nc(N)c2C#N)c2cc(F)ccc2[nH+]1 ZINC000290598073 257345114 /nfs/dbraw/zinc/34/51/14/257345114.db2.gz YMRGVRFUVVXGBJ-UHFFFAOYSA-N 1 2 354.389 2.742 20 30 FFEDLO CON(C)C(=O)C1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000291716292 257418515 /nfs/dbraw/zinc/41/85/15/257418515.db2.gz ITZNEXXHVAAQHQ-UHFFFAOYSA-N 1 2 366.259 2.553 20 30 FFEDLO Cn1cc[nH+]c1CN1CCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000301388656 258046952 /nfs/dbraw/zinc/04/69/52/258046952.db2.gz DZRBGVXZLGHMOV-UHFFFAOYSA-N 1 2 366.856 2.816 20 30 FFEDLO N#Cc1cccc(C#N)c1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000302876953 258113207 /nfs/dbraw/zinc/11/32/07/258113207.db2.gz GHLJSEQNJBCHFJ-UHFFFAOYSA-N 1 2 362.433 2.753 20 30 FFEDLO N#Cc1cc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000332241755 258220716 /nfs/dbraw/zinc/22/07/16/258220716.db2.gz ANHHNVKANNKMAF-LLVKDONJSA-N 1 2 350.831 2.503 20 30 FFEDLO N#Cc1cc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000332241757 258220815 /nfs/dbraw/zinc/22/08/15/258220815.db2.gz ANHHNVKANNKMAF-NSHDSACASA-N 1 2 350.831 2.503 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000409860671 512157050 /nfs/dbraw/zinc/15/70/50/512157050.db2.gz XQZWXYCECSYTTR-UHFFFAOYSA-N 1 2 374.853 2.848 20 30 FFEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000052662007 506225642 /nfs/dbraw/zinc/22/56/42/506225642.db2.gz WWQCIDZNTMGIIZ-AWEZNQCLSA-N 1 2 355.404 2.514 20 30 FFEDLO CN(Cc1cccc(C#N)c1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032162869 506234283 /nfs/dbraw/zinc/23/42/83/506234283.db2.gz AFQUUGJWAJHHTE-UHFFFAOYSA-N 1 2 361.361 2.924 20 30 FFEDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@H](C)O2 ZINC000366783582 512185329 /nfs/dbraw/zinc/18/53/29/512185329.db2.gz CIHFXCAFAPIGQV-LQWHRVPQSA-N 1 2 371.481 2.592 20 30 FFEDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@H](C)O2 ZINC000366783582 512185334 /nfs/dbraw/zinc/18/53/34/512185334.db2.gz CIHFXCAFAPIGQV-LQWHRVPQSA-N 1 2 371.481 2.592 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000366789526 512188323 /nfs/dbraw/zinc/18/83/23/512188323.db2.gz PFVJVCLOGNXONK-MRXNPFEDSA-N 1 2 369.400 2.606 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000366789525 512188377 /nfs/dbraw/zinc/18/83/77/512188377.db2.gz PFVJVCLOGNXONK-INIZCTEOSA-N 1 2 369.400 2.606 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1Cl ZINC000369181041 512270166 /nfs/dbraw/zinc/27/01/66/512270166.db2.gz QHLPWAIXNQMLPE-MRXNPFEDSA-N 1 2 374.872 2.627 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1Cl ZINC000369181041 512270171 /nfs/dbraw/zinc/27/01/71/512270171.db2.gz QHLPWAIXNQMLPE-MRXNPFEDSA-N 1 2 374.872 2.627 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000066320334 506479299 /nfs/dbraw/zinc/47/92/99/506479299.db2.gz WVXPKNPXEKQKJT-NSHDSACASA-N 1 2 352.232 2.694 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000054042276 506484084 /nfs/dbraw/zinc/48/40/84/506484084.db2.gz ZJIXGPUUOKECHX-UHFFFAOYSA-N 1 2 368.368 2.564 20 30 FFEDLO COc1ccc(C(=O)C2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1 ZINC000014326213 506986044 /nfs/dbraw/zinc/98/60/44/506986044.db2.gz YEYGMQRAODUDTR-NRFANRHFSA-N 1 2 371.481 2.644 20 30 FFEDLO C[C@H]1CCCN(C(=O)C2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)C1 ZINC000045803639 507023307 /nfs/dbraw/zinc/02/33/07/507023307.db2.gz KYOYEDUOJYHBJO-AWEZNQCLSA-N 1 2 374.510 2.529 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371297766 512315110 /nfs/dbraw/zinc/31/51/10/512315110.db2.gz NVAOBEWMKPXDHX-OAQYLSRUSA-N 1 2 363.417 2.891 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371297766 512315113 /nfs/dbraw/zinc/31/51/13/512315113.db2.gz NVAOBEWMKPXDHX-OAQYLSRUSA-N 1 2 363.417 2.891 20 30 FFEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cs1 ZINC000067953706 507066241 /nfs/dbraw/zinc/06/62/41/507066241.db2.gz WNYJRDAAWNMTHI-JTQLQIEISA-N 1 2 366.874 2.814 20 30 FFEDLO COc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000018175755 507142903 /nfs/dbraw/zinc/14/29/03/507142903.db2.gz CKFKNBSSPFKNEI-UHFFFAOYSA-N 1 2 350.422 2.917 20 30 FFEDLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781637 507309765 /nfs/dbraw/zinc/30/97/65/507309765.db2.gz FUKXGVPQNAZHNN-OPYAIIAOSA-N 1 2 368.525 2.759 20 30 FFEDLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000022781637 507309768 /nfs/dbraw/zinc/30/97/68/507309768.db2.gz FUKXGVPQNAZHNN-OPYAIIAOSA-N 1 2 368.525 2.759 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375463873 512341868 /nfs/dbraw/zinc/34/18/68/512341868.db2.gz ALKVEBZOVFKJBW-DOMZBBRYSA-N 1 2 351.410 2.635 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375463873 512341873 /nfs/dbraw/zinc/34/18/73/512341873.db2.gz ALKVEBZOVFKJBW-DOMZBBRYSA-N 1 2 351.410 2.635 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3ccccc3F)CC2)cc1 ZINC000026524311 507593631 /nfs/dbraw/zinc/59/36/31/507593631.db2.gz XNGGONNAWGMZGZ-UHFFFAOYSA-N 1 2 366.440 2.767 20 30 FFEDLO C=CC[N@@H+](CC(=O)N[C@@H](Cc1ccccc1)C(C)=O)Cc1ccccc1 ZINC000027776145 507683240 /nfs/dbraw/zinc/68/32/40/507683240.db2.gz OJBQBLGBVWZJHO-NRFANRHFSA-N 1 2 350.462 2.991 20 30 FFEDLO C=CC[N@H+](CC(=O)N[C@@H](Cc1ccccc1)C(C)=O)Cc1ccccc1 ZINC000027776145 507683247 /nfs/dbraw/zinc/68/32/47/507683247.db2.gz OJBQBLGBVWZJHO-NRFANRHFSA-N 1 2 350.462 2.991 20 30 FFEDLO C=CCc1cc(CNC(=O)NCCNc2cccc[nH+]2)cc(OC)c1OC ZINC000051778159 507784488 /nfs/dbraw/zinc/78/44/88/507784488.db2.gz RLZDEEZWWFYPTC-UHFFFAOYSA-N 1 2 370.453 2.739 20 30 FFEDLO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000051953711 507790474 /nfs/dbraw/zinc/79/04/74/507790474.db2.gz QNQPOMSLAUCZRL-OAHLLOKOSA-N 1 2 360.421 2.886 20 30 FFEDLO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029856663 507792726 /nfs/dbraw/zinc/79/27/26/507792726.db2.gz RZIRTLXXNXONIR-CRAIPNDOSA-N 1 2 358.461 2.514 20 30 FFEDLO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029856665 507792740 /nfs/dbraw/zinc/79/27/40/507792740.db2.gz RZIRTLXXNXONIR-MAUKXSAKSA-N 1 2 358.461 2.514 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029856659 507793327 /nfs/dbraw/zinc/79/33/27/507793327.db2.gz RZIRTLXXNXONIR-QAPCUYQASA-N 1 2 358.461 2.514 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2nc(N)c3ccccc3n2)CC1 ZINC000029858762 507793958 /nfs/dbraw/zinc/79/39/58/507793958.db2.gz MEVIZKJALLZTMN-UHFFFAOYSA-N 1 2 362.412 2.545 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccn(-c4cccc(F)c4)n3)CC2)nc1 ZINC000064557634 507802412 /nfs/dbraw/zinc/80/24/12/507802412.db2.gz IIXONSXTFDBOBY-UHFFFAOYSA-N 1 2 362.412 2.600 20 30 FFEDLO Cc1ccc([C@@H](CNc2nnc(C)c(C)c2C#N)[NH+]2CCOCC2)cc1 ZINC000052488429 507810647 /nfs/dbraw/zinc/81/06/47/507810647.db2.gz WFGLUXKMGGPLSH-LJQANCHMSA-N 1 2 351.454 2.759 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000052562473 507814050 /nfs/dbraw/zinc/81/40/50/507814050.db2.gz BRNOXIDGHWILEC-UTKZUKDTSA-N 1 2 350.466 2.901 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000052562473 507814051 /nfs/dbraw/zinc/81/40/51/507814051.db2.gz BRNOXIDGHWILEC-UTKZUKDTSA-N 1 2 350.466 2.901 20 30 FFEDLO N#Cc1ccccc1OCC[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000108717921 507914253 /nfs/dbraw/zinc/91/42/53/507914253.db2.gz FBRDRYRTDDNKCH-UHFFFAOYSA-N 1 2 351.450 2.634 20 30 FFEDLO CC(C)Cc1ccc(C(=O)CCC(=O)NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000079045051 507927836 /nfs/dbraw/zinc/92/78/36/507927836.db2.gz FMCXMXUHEDHBTQ-UHFFFAOYSA-N 1 2 355.482 2.952 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000109028967 507932681 /nfs/dbraw/zinc/93/26/81/507932681.db2.gz NGTFYKWQPDKQNK-HUUCEWRRSA-N 1 2 362.499 2.923 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000073868054 507961884 /nfs/dbraw/zinc/96/18/84/507961884.db2.gz GQAOAYDZRZCYFH-FQEVSTJZSA-N 1 2 364.424 2.625 20 30 FFEDLO C=CCOc1ccccc1CNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000110598655 508036861 /nfs/dbraw/zinc/03/68/61/508036861.db2.gz QGCIJDXYIQWTEW-INIZCTEOSA-N 1 2 354.454 2.862 20 30 FFEDLO C=CCOc1ccccc1CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000110598655 508036863 /nfs/dbraw/zinc/03/68/63/508036863.db2.gz QGCIJDXYIQWTEW-INIZCTEOSA-N 1 2 354.454 2.862 20 30 FFEDLO CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000080908481 508110657 /nfs/dbraw/zinc/11/06/57/508110657.db2.gz KPYHSXGPHUDSBD-AZUAARDMSA-N 1 2 356.514 2.762 20 30 FFEDLO C=CCc1cc(C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc(OC)c1O ZINC000093392194 508143765 /nfs/dbraw/zinc/14/37/65/508143765.db2.gz QMXAHYSVSSFMRP-CYBMUJFWSA-N 1 2 353.484 2.527 20 30 FFEDLO C=CCc1cc(C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc(OC)c1O ZINC000093392194 508143767 /nfs/dbraw/zinc/14/37/67/508143767.db2.gz QMXAHYSVSSFMRP-CYBMUJFWSA-N 1 2 353.484 2.527 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(c3nc[nH]n3)CC2)c1 ZINC000083424583 508245093 /nfs/dbraw/zinc/24/50/93/508245093.db2.gz ODYKWTQUVGWTJG-UHFFFAOYSA-N 1 2 366.469 2.548 20 30 FFEDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000076855034 508258484 /nfs/dbraw/zinc/25/84/84/508258484.db2.gz XBEFECYPUCMCGZ-KRWDZBQOSA-N 1 2 369.490 2.594 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000076855034 508258486 /nfs/dbraw/zinc/25/84/86/508258486.db2.gz XBEFECYPUCMCGZ-KRWDZBQOSA-N 1 2 369.490 2.594 20 30 FFEDLO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1cc(C#N)cs1 ZINC000084189908 508269028 /nfs/dbraw/zinc/26/90/28/508269028.db2.gz WJMQJTVNSOAXSV-UHFFFAOYSA-N 1 2 354.479 2.514 20 30 FFEDLO N#Cc1nnc2ccccc2c1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000077487857 508322890 /nfs/dbraw/zinc/32/28/90/508322890.db2.gz FNVHAJBBLYOHLH-FQEVSTJZSA-N 1 2 359.433 2.987 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000088524693 508374653 /nfs/dbraw/zinc/37/46/53/508374653.db2.gz KDUPMGKVPXEKCU-NHCUHLMSSA-N 1 2 360.461 2.674 20 30 FFEDLO Cn1cc[nH+]c1CN1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000106319957 508399090 /nfs/dbraw/zinc/39/90/90/508399090.db2.gz QHAZSLBLOIXPOB-UHFFFAOYSA-N 1 2 366.469 2.571 20 30 FFEDLO N#Cc1ccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1Cl ZINC000156409788 508416670 /nfs/dbraw/zinc/41/66/70/508416670.db2.gz DPCHUIHRVSCWLT-MRXNPFEDSA-N 1 2 362.861 2.930 20 30 FFEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc(Br)c(F)c2)C(N)=O)cc1 ZINC000115598659 508416849 /nfs/dbraw/zinc/41/68/49/508416849.db2.gz LDGIKTUJJVAWKI-HNNXBMFYSA-N 1 2 362.202 2.776 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000122143588 508488722 /nfs/dbraw/zinc/48/87/22/508488722.db2.gz KYXVRPQEVMPDBL-OAQYLSRUSA-N 1 2 371.444 2.895 20 30 FFEDLO CCN(CCC#N)C(=O)CN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000122469287 508540083 /nfs/dbraw/zinc/54/00/83/508540083.db2.gz OEILNJNZABJXSS-MRXNPFEDSA-N 1 2 362.905 2.781 20 30 FFEDLO CCN(CCC#N)C(=O)C[NH+]1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000122469287 508540086 /nfs/dbraw/zinc/54/00/86/508540086.db2.gz OEILNJNZABJXSS-MRXNPFEDSA-N 1 2 362.905 2.781 20 30 FFEDLO NC(=O)C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccccc1 ZINC000128701862 508631768 /nfs/dbraw/zinc/63/17/68/508631768.db2.gz PIFVCFKHSSBYNC-UHFFFAOYSA-N 1 2 362.351 2.924 20 30 FFEDLO NC(=O)C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccccc1 ZINC000128701862 508631770 /nfs/dbraw/zinc/63/17/70/508631770.db2.gz PIFVCFKHSSBYNC-UHFFFAOYSA-N 1 2 362.351 2.924 20 30 FFEDLO COc1ccc(CNc2ccc[nH+]c2N2CCC(CO)CC2)cc1C#N ZINC000136187136 508676935 /nfs/dbraw/zinc/67/69/35/508676935.db2.gz VRXJMTZVPSOGIH-UHFFFAOYSA-N 1 2 352.438 2.783 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)NCc2cccc(Cl)c2)CC1 ZINC000367259241 512412148 /nfs/dbraw/zinc/41/21/48/512412148.db2.gz HICILMZNZZNFSQ-UHFFFAOYSA-N 1 2 368.868 2.909 20 30 FFEDLO CC[N@@H+](CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C)C[C@H](C)C#N ZINC000140416453 508804084 /nfs/dbraw/zinc/80/40/84/508804084.db2.gz XXLQTTIWASXJQW-MRXNPFEDSA-N 1 2 367.497 2.646 20 30 FFEDLO CC[N@H+](CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C)C[C@H](C)C#N ZINC000140416453 508804087 /nfs/dbraw/zinc/80/40/87/508804087.db2.gz XXLQTTIWASXJQW-MRXNPFEDSA-N 1 2 367.497 2.646 20 30 FFEDLO COc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)c2ccccc12 ZINC000154757861 508849963 /nfs/dbraw/zinc/84/99/63/508849963.db2.gz ANHFOVHTKFQXTM-UHFFFAOYSA-N 1 2 353.466 2.896 20 30 FFEDLO COc1ccc(C[N@H+](CCC#N)CCN2CCOCC2)c2ccccc12 ZINC000154757861 508849967 /nfs/dbraw/zinc/84/99/67/508849967.db2.gz ANHFOVHTKFQXTM-UHFFFAOYSA-N 1 2 353.466 2.896 20 30 FFEDLO COc1ccc(C[N@@H+](CCC#N)CCN2CCOCC2)c2ccccc12 ZINC000154757861 508849971 /nfs/dbraw/zinc/84/99/71/508849971.db2.gz ANHFOVHTKFQXTM-UHFFFAOYSA-N 1 2 353.466 2.896 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000119841837 508874247 /nfs/dbraw/zinc/87/42/47/508874247.db2.gz UCZJGZKKAUPTAB-LJQANCHMSA-N 1 2 368.868 2.556 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000154952006 508890839 /nfs/dbraw/zinc/89/08/39/508890839.db2.gz BYHMOMFKWQERBT-ZDUSSCGKSA-N 1 2 356.376 2.750 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000155286568 508967554 /nfs/dbraw/zinc/96/75/54/508967554.db2.gz TYXBOXVFDPOUMO-UHFFFAOYSA-N 1 2 358.348 2.629 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000155293434 508969113 /nfs/dbraw/zinc/96/91/13/508969113.db2.gz VZANUBAXFVVBRA-FQEVSTJZSA-N 1 2 358.449 2.854 20 30 FFEDLO C[C@H](Cc1ccc(Cl)cc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000125481111 508989198 /nfs/dbraw/zinc/98/91/98/508989198.db2.gz FXCLCRGRICFGDN-MRXNPFEDSA-N 1 2 363.889 2.593 20 30 FFEDLO C[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000151280325 508992122 /nfs/dbraw/zinc/99/21/22/508992122.db2.gz UMCVHVIYKXZGMN-DOMZBBRYSA-N 1 2 364.858 2.680 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c(F)c1 ZINC000125503868 508992176 /nfs/dbraw/zinc/99/21/76/508992176.db2.gz KEKCNVIPGKVUDN-UHFFFAOYSA-N 1 2 360.345 2.823 20 30 FFEDLO Fc1ccc(C#CCN2CC[NH+](CC#Cc3ccc(F)cc3)CC2)cc1 ZINC000120419276 508992498 /nfs/dbraw/zinc/99/24/98/508992498.db2.gz HGFVWCMWRGUMHI-UHFFFAOYSA-N 1 2 350.412 2.986 20 30 FFEDLO N#Cc1cc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)ccc1OCC(F)(F)F ZINC000151464664 509022270 /nfs/dbraw/zinc/02/22/70/509022270.db2.gz HJLPCRWOUHTILF-NSHDSACASA-N 1 2 364.327 2.897 20 30 FFEDLO C=C[C@H](CC(=O)N1CC[NH+](CC(=O)N2CCCCC2)CC1)c1ccccc1 ZINC000126227146 509073137 /nfs/dbraw/zinc/07/31/37/509073137.db2.gz RAGAACMWXQVNQQ-LJQANCHMSA-N 1 2 369.509 2.503 20 30 FFEDLO CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000371500229 512436040 /nfs/dbraw/zinc/43/60/40/512436040.db2.gz MFNSFHXTKOIAEQ-IRXDYDNUSA-N 1 2 371.453 2.712 20 30 FFEDLO CC(C)[N@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000371500229 512436045 /nfs/dbraw/zinc/43/60/45/512436045.db2.gz MFNSFHXTKOIAEQ-IRXDYDNUSA-N 1 2 371.453 2.712 20 30 FFEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000133085838 509114527 /nfs/dbraw/zinc/11/45/27/509114527.db2.gz UHVWEUFHWMFLLQ-INIZCTEOSA-N 1 2 358.239 2.979 20 30 FFEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000133085838 509114531 /nfs/dbraw/zinc/11/45/31/509114531.db2.gz UHVWEUFHWMFLLQ-INIZCTEOSA-N 1 2 358.239 2.979 20 30 FFEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000133087140 509114747 /nfs/dbraw/zinc/11/47/47/509114747.db2.gz HFOJCCUPIDNQCG-MRXNPFEDSA-N 1 2 358.239 2.979 20 30 FFEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000133087140 509114752 /nfs/dbraw/zinc/11/47/52/509114752.db2.gz HFOJCCUPIDNQCG-MRXNPFEDSA-N 1 2 358.239 2.979 20 30 FFEDLO N#CCCN(C(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)c1ccccc1 ZINC000161469166 509119035 /nfs/dbraw/zinc/11/90/35/509119035.db2.gz KIRVUKVKZDHIKP-QGZVFWFLSA-N 1 2 369.387 2.568 20 30 FFEDLO CCOC(=O)c1ccc(N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)nc1 ZINC000156137086 509132991 /nfs/dbraw/zinc/13/29/91/509132991.db2.gz BRJGHXMXBDPWLB-UHFFFAOYSA-N 1 2 367.424 2.571 20 30 FFEDLO C=CCc1cc(C(=O)N2CC[NH+](Cc3ccco3)CC2)cc(OC)c1OC ZINC000198428146 509226785 /nfs/dbraw/zinc/22/67/85/509226785.db2.gz JNWCXKUMWYZSBO-UHFFFAOYSA-N 1 2 370.449 2.983 20 30 FFEDLO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(C#N)c(F)c1 ZINC000191905620 509239515 /nfs/dbraw/zinc/23/95/15/509239515.db2.gz DGALEZSLKJQLFW-UHFFFAOYSA-N 1 2 369.396 2.929 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(C#N)c(F)c1 ZINC000191905620 509239520 /nfs/dbraw/zinc/23/95/20/509239520.db2.gz DGALEZSLKJQLFW-UHFFFAOYSA-N 1 2 369.396 2.929 20 30 FFEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C2(C#N)CCOCC2)CC1 ZINC000172797870 509242794 /nfs/dbraw/zinc/24/27/94/509242794.db2.gz XETNNZOONTWEMB-OAHLLOKOSA-N 1 2 361.873 2.866 20 30 FFEDLO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)cc1C#N ZINC000179200106 509317013 /nfs/dbraw/zinc/31/70/13/509317013.db2.gz IQUDVMOLLSROIF-UHFFFAOYSA-N 1 2 355.463 2.976 20 30 FFEDLO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)cc1C#N ZINC000179200106 509317015 /nfs/dbraw/zinc/31/70/15/509317015.db2.gz IQUDVMOLLSROIF-UHFFFAOYSA-N 1 2 355.463 2.976 20 30 FFEDLO C=C(C)[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000248477022 509337929 /nfs/dbraw/zinc/33/79/29/509337929.db2.gz OKOQIIMSRIMRLZ-DEYYWGMASA-N 1 2 367.440 2.990 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccccc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182622899 509338233 /nfs/dbraw/zinc/33/82/33/509338233.db2.gz AJYBJUYWJOLRQF-LJQANCHMSA-N 1 2 362.433 2.624 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccccc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182622899 509338241 /nfs/dbraw/zinc/33/82/41/509338241.db2.gz AJYBJUYWJOLRQF-LJQANCHMSA-N 1 2 362.433 2.624 20 30 FFEDLO O=C(CN1CC[NH+](CC#Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000192131002 509361886 /nfs/dbraw/zinc/36/18/86/509361886.db2.gz CUSOPQAOHJVEMM-UHFFFAOYSA-N 1 2 367.880 2.948 20 30 FFEDLO C#CCCCC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000192247440 509425641 /nfs/dbraw/zinc/42/56/41/509425641.db2.gz PPBFTFNUFGTQHB-QGZVFWFLSA-N 1 2 368.399 2.998 20 30 FFEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000179462096 509456837 /nfs/dbraw/zinc/45/68/37/509456837.db2.gz SSGJZSPACNYTIW-UHFFFAOYSA-N 1 2 374.404 2.776 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccccc1OC(F)F ZINC000176366095 509468756 /nfs/dbraw/zinc/46/87/56/509468756.db2.gz NNIDINLXTBSLGG-ZDUSSCGKSA-N 1 2 359.380 2.660 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccccc1OC(F)F ZINC000176366095 509468762 /nfs/dbraw/zinc/46/87/62/509468762.db2.gz NNIDINLXTBSLGG-ZDUSSCGKSA-N 1 2 359.380 2.660 20 30 FFEDLO CC(C)c1ccc(C[NH+]2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)cc1 ZINC000164383065 509495252 /nfs/dbraw/zinc/49/52/52/509495252.db2.gz CJEPAMUWLIQGKC-UHFFFAOYSA-N 1 2 361.511 2.561 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192464011 509530514 /nfs/dbraw/zinc/53/05/14/509530514.db2.gz BMRMJKHEXDCCHK-FQEVSTJZSA-N 1 2 359.445 2.775 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000267590713 509556115 /nfs/dbraw/zinc/55/61/15/509556115.db2.gz JBIGUWGFTXBJNV-RDJZCZTQSA-N 1 2 373.453 2.619 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000267590713 509556123 /nfs/dbraw/zinc/55/61/23/509556123.db2.gz JBIGUWGFTXBJNV-RDJZCZTQSA-N 1 2 373.453 2.619 20 30 FFEDLO N#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000176571233 509589734 /nfs/dbraw/zinc/58/97/34/509589734.db2.gz KNDVFXLQOCMZQR-HNNXBMFYSA-N 1 2 353.382 2.983 20 30 FFEDLO COc1cccc(C(=O)N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)c1 ZINC000264556711 509598699 /nfs/dbraw/zinc/59/86/99/509598699.db2.gz NCJWOQWXPGIOMI-UHFFFAOYSA-N 1 2 365.433 2.556 20 30 FFEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)cc1F ZINC000264587377 509615258 /nfs/dbraw/zinc/61/52/58/509615258.db2.gz XSXKIZAMPVDTMT-UHFFFAOYSA-N 1 2 367.424 2.995 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000186296949 509631453 /nfs/dbraw/zinc/63/14/53/509631453.db2.gz AGKKLWSUCWHNOP-OTWHNJEPSA-N 1 2 368.525 2.741 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)N1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000186296949 509631460 /nfs/dbraw/zinc/63/14/60/509631460.db2.gz AGKKLWSUCWHNOP-OTWHNJEPSA-N 1 2 368.525 2.741 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCSc3ccccn3)CC2)cc1 ZINC000267926260 509673821 /nfs/dbraw/zinc/67/38/21/509673821.db2.gz MDKUSIJTWFPUDQ-UHFFFAOYSA-N 1 2 366.490 2.780 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000249456961 509684998 /nfs/dbraw/zinc/68/49/98/509684998.db2.gz PSRLLRGUTMRXDL-BBWFWOEESA-N 1 2 363.502 2.723 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000249456961 509685008 /nfs/dbraw/zinc/68/50/08/509685008.db2.gz PSRLLRGUTMRXDL-BBWFWOEESA-N 1 2 363.502 2.723 20 30 FFEDLO CC(C)[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)C(=O)OC(C)(C)C ZINC000180043366 509722051 /nfs/dbraw/zinc/72/20/51/509722051.db2.gz HWSJZBCVQCNLTJ-CQSZACIVSA-N 1 2 351.472 2.904 20 30 FFEDLO N#Cc1c(F)cccc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000186467305 509722268 /nfs/dbraw/zinc/72/22/68/509722268.db2.gz INGPPIOTWCIXIK-LJQANCHMSA-N 1 2 353.397 2.501 20 30 FFEDLO COc1cc(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)ccc1O ZINC000177055308 509844413 /nfs/dbraw/zinc/84/44/13/509844413.db2.gz JHBFJEOUUDHRGT-UHFFFAOYSA-N 1 2 350.378 2.954 20 30 FFEDLO COc1cc(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)ccc1O ZINC000177055308 509844418 /nfs/dbraw/zinc/84/44/18/509844418.db2.gz JHBFJEOUUDHRGT-UHFFFAOYSA-N 1 2 350.378 2.954 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c(C#N)c1C ZINC000245393529 509896846 /nfs/dbraw/zinc/89/68/46/509896846.db2.gz WBPHAVLJYJGHSW-ZBFHGGJFSA-N 1 2 374.485 2.579 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c(C#N)c1C ZINC000245393529 509896851 /nfs/dbraw/zinc/89/68/51/509896851.db2.gz WBPHAVLJYJGHSW-ZBFHGGJFSA-N 1 2 374.485 2.579 20 30 FFEDLO N#Cc1ccc(C(F)(F)F)nc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000265164367 509897023 /nfs/dbraw/zinc/89/70/23/509897023.db2.gz FPSIVPWEEBOCKD-UHFFFAOYSA-N 1 2 363.343 2.816 20 30 FFEDLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000255953567 509939085 /nfs/dbraw/zinc/93/90/85/509939085.db2.gz AKHOIGXBJUTYJG-QCFAMHMHSA-N 1 2 368.525 2.952 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c(OC)c1 ZINC000193693395 510022787 /nfs/dbraw/zinc/02/27/87/510022787.db2.gz PBGDZUMNDWNPIC-ZWKOTPCHSA-N 1 2 371.481 2.766 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c(OC)c1 ZINC000193693395 510022791 /nfs/dbraw/zinc/02/27/91/510022791.db2.gz PBGDZUMNDWNPIC-ZWKOTPCHSA-N 1 2 371.481 2.766 20 30 FFEDLO C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(N(C)CCOC)[nH+]c1 ZINC000190353608 510080964 /nfs/dbraw/zinc/08/09/64/510080964.db2.gz STMKSQDIWSHONR-IBGZPJMESA-N 1 2 352.438 2.917 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000245835711 510160093 /nfs/dbraw/zinc/16/00/93/510160093.db2.gz ANUPLYNYSJHJPM-DLBZAZTESA-N 1 2 358.463 2.953 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000245835711 510160097 /nfs/dbraw/zinc/16/00/97/510160097.db2.gz ANUPLYNYSJHJPM-DLBZAZTESA-N 1 2 358.463 2.953 20 30 FFEDLO Cc1nc(N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)cc[nH+]1 ZINC000184154489 510163118 /nfs/dbraw/zinc/16/31/18/510163118.db2.gz ADBHQFWRBGDBQB-MRXNPFEDSA-N 1 2 372.270 2.934 20 30 FFEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000177728525 510221018 /nfs/dbraw/zinc/22/10/18/510221018.db2.gz RKUDVVIIIFZNIY-OIRASMEMSA-N 1 2 361.492 2.989 20 30 FFEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000177728525 510221024 /nfs/dbraw/zinc/22/10/24/510221024.db2.gz RKUDVVIIIFZNIY-OIRASMEMSA-N 1 2 361.492 2.989 20 30 FFEDLO C=CCN(Cc1ccccc1F)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000194224344 510269205 /nfs/dbraw/zinc/26/92/05/510269205.db2.gz LECVHMLCLQPIOV-UHFFFAOYSA-N 1 2 370.472 2.986 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000269276030 510319641 /nfs/dbraw/zinc/31/96/41/510319641.db2.gz OAFSRRCILOZYDY-CQSZACIVSA-N 1 2 365.437 2.981 20 30 FFEDLO C=CCSCCNC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000194636181 510457861 /nfs/dbraw/zinc/45/78/61/510457861.db2.gz QUHJZCQWPFFKMI-UHFFFAOYSA-N 1 2 363.531 2.659 20 30 FFEDLO N#CCOc1ccccc1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178232929 510501703 /nfs/dbraw/zinc/50/17/03/510501703.db2.gz ZLIICOYZVQAILS-UHFFFAOYSA-N 1 2 353.397 2.686 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](CCO)Cc1cccnc1 ZINC000269668379 510504552 /nfs/dbraw/zinc/50/45/52/510504552.db2.gz ZPUKLGJNMUPCOY-MRXNPFEDSA-N 1 2 359.495 2.541 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](CCO)Cc1cccnc1 ZINC000269668379 510504563 /nfs/dbraw/zinc/50/45/63/510504563.db2.gz ZPUKLGJNMUPCOY-MRXNPFEDSA-N 1 2 359.495 2.541 20 30 FFEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000191137723 510521115 /nfs/dbraw/zinc/52/11/15/510521115.db2.gz XFBTYBPXUUFKTO-UHFFFAOYSA-N 1 2 363.202 2.800 20 30 FFEDLO C=CC[N@H+](CCOC)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000191137723 510521122 /nfs/dbraw/zinc/52/11/22/510521122.db2.gz XFBTYBPXUUFKTO-UHFFFAOYSA-N 1 2 363.202 2.800 20 30 FFEDLO Cn1cc(C[NH+]2CCN(Cc3ncc(-c4ccccc4)o3)CC2)cc1C#N ZINC000191346647 510616361 /nfs/dbraw/zinc/61/63/61/510616361.db2.gz HEEROQXVZWHACF-UHFFFAOYSA-N 1 2 361.449 2.870 20 30 FFEDLO CCN(CC)c1ccc(CNC(=O)NCCOc2ccc(C#N)cc2)c[nH+]1 ZINC000175417258 510636029 /nfs/dbraw/zinc/63/60/29/510636029.db2.gz CHUHINAJMSUCCE-UHFFFAOYSA-N 1 2 367.453 2.678 20 30 FFEDLO Cc1nc(C(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)ccc1C#N ZINC000246808438 510687915 /nfs/dbraw/zinc/68/79/15/510687915.db2.gz KCBZSNOMKGUSOP-SUMWQHHRSA-N 1 2 370.478 2.515 20 30 FFEDLO Cc1nc(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)ccc1C#N ZINC000246808438 510687919 /nfs/dbraw/zinc/68/79/19/510687919.db2.gz KCBZSNOMKGUSOP-SUMWQHHRSA-N 1 2 370.478 2.515 20 30 FFEDLO COc1cccc(OCCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000178783094 510768521 /nfs/dbraw/zinc/76/85/21/510768521.db2.gz KRFUTROWRVLNHP-UHFFFAOYSA-N 1 2 351.450 2.763 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCCN(CCOC)C(=O)C2)cc1Cl ZINC000191696087 510789869 /nfs/dbraw/zinc/78/98/69/510789869.db2.gz VNLIJRCUNLVZIN-UHFFFAOYSA-N 1 2 352.862 2.586 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCCN(CCOC)C(=O)C2)cc1Cl ZINC000191696087 510789872 /nfs/dbraw/zinc/78/98/72/510789872.db2.gz VNLIJRCUNLVZIN-UHFFFAOYSA-N 1 2 352.862 2.586 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OCC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000178858267 510807369 /nfs/dbraw/zinc/80/73/69/510807369.db2.gz SUXGPKKUQVQALD-INIZCTEOSA-N 1 2 353.484 2.659 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OCC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000178858267 510807370 /nfs/dbraw/zinc/80/73/70/510807370.db2.gz SUXGPKKUQVQALD-INIZCTEOSA-N 1 2 353.484 2.659 20 30 FFEDLO C[C@@H]([NH2+][C@H](C)c1nnc2ccccn21)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000172616899 510823958 /nfs/dbraw/zinc/82/39/58/510823958.db2.gz VTWKIHPIPVNHQX-VXGBXAGGSA-N 1 2 368.828 2.932 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000185419335 510840550 /nfs/dbraw/zinc/84/05/50/510840550.db2.gz QWLGQNBMHMQVTK-LCHIKPRUSA-N 1 2 367.540 2.718 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000185419335 510840553 /nfs/dbraw/zinc/84/05/53/510840553.db2.gz QWLGQNBMHMQVTK-LCHIKPRUSA-N 1 2 367.540 2.718 20 30 FFEDLO CC(C)(CNC([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)OCO2 ZINC000329945826 510883851 /nfs/dbraw/zinc/88/38/51/510883851.db2.gz JGMJQSQJXMJJJA-AWEZNQCLSA-N 1 2 370.453 2.656 20 30 FFEDLO CC(C)(C[NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)OCO2 ZINC000329945826 510883857 /nfs/dbraw/zinc/88/38/57/510883857.db2.gz JGMJQSQJXMJJJA-AWEZNQCLSA-N 1 2 370.453 2.656 20 30 FFEDLO CC(C)(CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)OCO2 ZINC000329945826 510883862 /nfs/dbraw/zinc/88/38/62/510883862.db2.gz JGMJQSQJXMJJJA-AWEZNQCLSA-N 1 2 370.453 2.656 20 30 FFEDLO CCS[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000329946055 510884030 /nfs/dbraw/zinc/88/40/30/510884030.db2.gz GEECPOVVOPEQGM-HRCADAONSA-N 1 2 365.547 2.687 20 30 FFEDLO CCOC(=O)[C@H](F)C1C[NH+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000293899183 510890630 /nfs/dbraw/zinc/89/06/30/510890630.db2.gz KUYTXBCEAYOORD-GOSISDBHSA-N 1 2 364.417 2.711 20 30 FFEDLO CN(C)c1ccc(CNC(=O)N2CC[C@]3(C2)OCc2ccccc23)c[nH+]1 ZINC000329985060 510894220 /nfs/dbraw/zinc/89/42/20/510894220.db2.gz QUXPECIAKHYUGE-HXUWFJFHSA-N 1 2 352.438 2.693 20 30 FFEDLO C[N@@H+](Cc1nc(-c2cccs2)no1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000285442880 510907273 /nfs/dbraw/zinc/90/72/73/510907273.db2.gz XSRWTNUNYVZSKT-AWEZNQCLSA-N 1 2 370.434 2.541 20 30 FFEDLO C[N@H+](Cc1nc(-c2cccs2)no1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000285442880 510907279 /nfs/dbraw/zinc/90/72/79/510907279.db2.gz XSRWTNUNYVZSKT-AWEZNQCLSA-N 1 2 370.434 2.541 20 30 FFEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000330062579 510908941 /nfs/dbraw/zinc/90/89/41/510908941.db2.gz PINSSZRBPVPPSY-RJFAQORQSA-N 1 2 369.513 2.721 20 30 FFEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000330062579 510908945 /nfs/dbraw/zinc/90/89/45/510908945.db2.gz PINSSZRBPVPPSY-RJFAQORQSA-N 1 2 369.513 2.721 20 30 FFEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](C)[S@@]1=O ZINC000330096988 510914866 /nfs/dbraw/zinc/91/48/66/510914866.db2.gz AGLYRIRNISYYEC-ONFMQOEYSA-N 1 2 365.524 2.928 20 30 FFEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](C)[S@@]1=O ZINC000330096988 510914871 /nfs/dbraw/zinc/91/48/71/510914871.db2.gz AGLYRIRNISYYEC-ONFMQOEYSA-N 1 2 365.524 2.928 20 30 FFEDLO Cc1ccc([C@H](CNC(=O)N[C@H]2CCCSC2)[NH+]2CCOCC2)s1 ZINC000330137776 510923565 /nfs/dbraw/zinc/92/35/65/510923565.db2.gz VCAQEQBKFHLUKG-GJZGRUSLSA-N 1 2 369.556 2.829 20 30 FFEDLO C[C@@H]1CN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C[C@@]2(CCCOC2)O1 ZINC000330151802 510925811 /nfs/dbraw/zinc/92/58/11/510925811.db2.gz LOVPIYOHOFDCHO-OXQOHEQNSA-N 1 2 370.453 2.556 20 30 FFEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NCc2ccccc2F)C[C@@]2(CCOC2)O1 ZINC000330160888 510927601 /nfs/dbraw/zinc/92/76/01/510927601.db2.gz SLFUQWHSDNTHBU-IDHHARJASA-N 1 2 350.434 2.941 20 30 FFEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)NCc2ccccc2F)C[C@@]2(CCOC2)O1 ZINC000330160888 510927608 /nfs/dbraw/zinc/92/76/08/510927608.db2.gz SLFUQWHSDNTHBU-IDHHARJASA-N 1 2 350.434 2.941 20 30 FFEDLO CC(=O)N1CC[C@H](C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)C1 ZINC000330195891 510935027 /nfs/dbraw/zinc/93/50/27/510935027.db2.gz ZZRAZXZYCQLUHT-AWEZNQCLSA-N 1 2 350.488 2.831 20 30 FFEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000276486674 510940037 /nfs/dbraw/zinc/94/00/37/510940037.db2.gz UHABQYWTJOVZDX-LEWJYISDSA-N 1 2 353.466 2.765 20 30 FFEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000276486674 510940043 /nfs/dbraw/zinc/94/00/43/510940043.db2.gz UHABQYWTJOVZDX-LEWJYISDSA-N 1 2 353.466 2.765 20 30 FFEDLO C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1)c1cc2ccccc2o1 ZINC000330237597 510944434 /nfs/dbraw/zinc/94/44/34/510944434.db2.gz AOUHGZISMYUHLR-PWDMQXDWSA-N 1 2 357.454 2.854 20 30 FFEDLO C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1)c1cc2ccccc2o1 ZINC000330237597 510944437 /nfs/dbraw/zinc/94/44/37/510944437.db2.gz AOUHGZISMYUHLR-PWDMQXDWSA-N 1 2 357.454 2.854 20 30 FFEDLO C[C@H](NC(=O)[C@H](C)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)c1cc2ccccc2o1 ZINC000330237597 510944441 /nfs/dbraw/zinc/94/44/41/510944441.db2.gz AOUHGZISMYUHLR-PWDMQXDWSA-N 1 2 357.454 2.854 20 30 FFEDLO C[C@H](NC(=O)[C@H](C)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1cc2ccccc2o1 ZINC000330237597 510944445 /nfs/dbraw/zinc/94/44/45/510944445.db2.gz AOUHGZISMYUHLR-PWDMQXDWSA-N 1 2 357.454 2.854 20 30 FFEDLO C=CC[C@]1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000276644263 510944608 /nfs/dbraw/zinc/94/46/08/510944608.db2.gz XYZUBHRQRIAFCN-DNVCBOLYSA-N 1 2 362.474 2.734 20 30 FFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cc(N(C)C)ncn2)CC1 ZINC000330246747 510946606 /nfs/dbraw/zinc/94/66/06/510946606.db2.gz LKXJAHLQZGKMLW-CYBMUJFWSA-N 1 2 360.487 2.528 20 30 FFEDLO C=CCN(CC=C)C(=O)C(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000297445074 510948394 /nfs/dbraw/zinc/94/83/94/510948394.db2.gz GQDZJMBVGAIOHH-UHFFFAOYSA-N 1 2 366.465 2.709 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000277014303 510952405 /nfs/dbraw/zinc/95/24/05/510952405.db2.gz BQUFBKGKPIOWBJ-UHFFFAOYSA-N 1 2 357.462 2.808 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)COc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000270700035 510955358 /nfs/dbraw/zinc/95/53/58/510955358.db2.gz LXUOSWYYOXHVCJ-UYAOXDASSA-N 1 2 371.387 2.777 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)COc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000270700035 510955362 /nfs/dbraw/zinc/95/53/62/510955362.db2.gz LXUOSWYYOXHVCJ-UYAOXDASSA-N 1 2 371.387 2.777 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000270703172 510956820 /nfs/dbraw/zinc/95/68/20/510956820.db2.gz AESRMXUETCYKCS-UHFFFAOYSA-N 1 2 364.405 2.747 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000270703172 510956824 /nfs/dbraw/zinc/95/68/24/510956824.db2.gz AESRMXUETCYKCS-UHFFFAOYSA-N 1 2 364.405 2.747 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@](=O)C1 ZINC000277531287 510964717 /nfs/dbraw/zinc/96/47/17/510964717.db2.gz PVTMWIZHLJXKCG-CPJLOUKISA-N 1 2 356.495 2.664 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@](=O)C1 ZINC000277531287 510964719 /nfs/dbraw/zinc/96/47/19/510964719.db2.gz PVTMWIZHLJXKCG-CPJLOUKISA-N 1 2 356.495 2.664 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NCCOC2CCCCCC2)CCO1 ZINC000330332265 510967132 /nfs/dbraw/zinc/96/71/32/510967132.db2.gz OUKNERGQCCVKHL-YJBOKZPZSA-N 1 2 364.490 2.883 20 30 FFEDLO CCN1CCN(C(=O)Nc2cnc3c(c2)CCCC3)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330333585 510967274 /nfs/dbraw/zinc/96/72/74/510967274.db2.gz PWMFITSAXRLGJZ-QGZVFWFLSA-N 1 2 354.458 2.608 20 30 FFEDLO C=CCOc1ccc(CC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000294224646 510995966 /nfs/dbraw/zinc/99/59/66/510995966.db2.gz BIAQVJDWXAIFSL-UHFFFAOYSA-N 1 2 351.450 2.533 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000330602985 511001607 /nfs/dbraw/zinc/00/16/07/511001607.db2.gz JMQXEIXPRFQTGY-FVJLSDCUSA-N 1 2 374.504 2.947 20 30 FFEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000278654032 511003252 /nfs/dbraw/zinc/00/32/52/511003252.db2.gz QAEMWQLCYUOGSZ-LPHOPBHVSA-N 1 2 369.490 2.838 20 30 FFEDLO C#CCn1ccc(CN(CC)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)n1 ZINC000279089897 511018142 /nfs/dbraw/zinc/01/81/42/511018142.db2.gz NGMJEZZWWULPEI-UHFFFAOYSA-N 1 2 362.437 2.971 20 30 FFEDLO N#C[C@]1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC12CCCC2 ZINC000294325526 511028291 /nfs/dbraw/zinc/02/82/91/511028291.db2.gz HCKUESNNPSPCDJ-NQIIRXRSSA-N 1 2 353.466 2.650 20 30 FFEDLO C[C@H]([C@H](C)NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)[NH+]1CCOCC1 ZINC000361450963 511052363 /nfs/dbraw/zinc/05/23/63/511052363.db2.gz QUGXLDSIFLAADC-ONCXSQPRSA-N 1 2 370.497 2.577 20 30 FFEDLO CC[C@H](C)[C@@H](NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)C(F)(F)F ZINC000331325379 511061473 /nfs/dbraw/zinc/06/14/73/511061473.db2.gz NSVGQVHZNJYXCG-WDEREUQCSA-N 1 2 352.401 2.809 20 30 FFEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000297773530 511064239 /nfs/dbraw/zinc/06/42/39/511064239.db2.gz GGIFLTVUQCPGMO-STQMWFEESA-N 1 2 369.918 2.502 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000297773530 511064243 /nfs/dbraw/zinc/06/42/43/511064243.db2.gz GGIFLTVUQCPGMO-STQMWFEESA-N 1 2 369.918 2.502 20 30 FFEDLO N#Cc1cccnc1N1CCN(Cc2c[nH+]c3ccc(Cl)cn23)CC1 ZINC000271045443 511067491 /nfs/dbraw/zinc/06/74/91/511067491.db2.gz PRPANAXMXSSZOP-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(S(C)(=O)=O)c1 ZINC000294815266 511186441 /nfs/dbraw/zinc/18/64/41/511186441.db2.gz MHFZPINJDOTUPU-UHFFFAOYSA-N 1 2 358.463 2.610 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(S(C)(=O)=O)c1 ZINC000294815266 511186443 /nfs/dbraw/zinc/18/64/43/511186443.db2.gz MHFZPINJDOTUPU-UHFFFAOYSA-N 1 2 358.463 2.610 20 30 FFEDLO CC(C)[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1[nH]cc[nH+]1 ZINC000282991455 511191212 /nfs/dbraw/zinc/19/12/12/511191212.db2.gz LDWKEPAEICQIHT-LJQANCHMSA-N 1 2 367.453 2.950 20 30 FFEDLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)C[C@H](C)C#N ZINC000294989461 511245278 /nfs/dbraw/zinc/24/52/78/511245278.db2.gz XZFMMXHPSJRSBO-VXGBXAGGSA-N 1 2 368.275 2.554 20 30 FFEDLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+](C)C[C@H](C)C#N ZINC000294989461 511245283 /nfs/dbraw/zinc/24/52/83/511245283.db2.gz XZFMMXHPSJRSBO-VXGBXAGGSA-N 1 2 368.275 2.554 20 30 FFEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(C#N)ccn2)C[C@H](C)O1 ZINC000283136774 511250041 /nfs/dbraw/zinc/25/00/41/511250041.db2.gz UXTXELJJPRMIRS-GJZGRUSLSA-N 1 2 350.422 2.815 20 30 FFEDLO CCn1nc(C)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000271627611 511269019 /nfs/dbraw/zinc/26/90/19/511269019.db2.gz ZOUGBAANJVZBPB-UHFFFAOYSA-N 1 2 366.469 2.741 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1(C)C ZINC000295199796 511319354 /nfs/dbraw/zinc/31/93/54/511319354.db2.gz FCJTZIFRNNZHNG-CQSZACIVSA-N 1 2 364.858 2.717 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c2ccccc21 ZINC000291756917 511325243 /nfs/dbraw/zinc/32/52/43/511325243.db2.gz KYPGSJGWKAOETC-AWEZNQCLSA-N 1 2 361.392 2.687 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@H+]2CCC(F)(F)[C@H](CO)C2)c2ccccc21 ZINC000291756917 511325244 /nfs/dbraw/zinc/32/52/44/511325244.db2.gz KYPGSJGWKAOETC-AWEZNQCLSA-N 1 2 361.392 2.687 20 30 FFEDLO CCN(CC)c1ccc(CNC(=O)Nc2cc(C)n(CCC#N)n2)c[nH+]1 ZINC000272055931 511416129 /nfs/dbraw/zinc/41/61/29/511416129.db2.gz IAEFGOARMPSZKO-UHFFFAOYSA-N 1 2 355.446 2.668 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280317702 511418756 /nfs/dbraw/zinc/41/87/56/511418756.db2.gz GNSWKQMNOKHSCP-FCEWJHQRSA-N 1 2 364.511 2.531 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280317702 511418759 /nfs/dbraw/zinc/41/87/59/511418759.db2.gz GNSWKQMNOKHSCP-FCEWJHQRSA-N 1 2 364.511 2.531 20 30 FFEDLO Cc1sc(NC(=O)CN(C)Cc2cn3c([nH+]2)CCCC3)c(C#N)c1C ZINC000365405593 511430892 /nfs/dbraw/zinc/43/08/92/511430892.db2.gz STHJMCCLDUPQJE-UHFFFAOYSA-N 1 2 357.483 2.840 20 30 FFEDLO C=CCCCNC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000280402179 511452355 /nfs/dbraw/zinc/45/23/55/511452355.db2.gz HDCPJNHWWYSIDB-UHFFFAOYSA-N 1 2 350.422 2.623 20 30 FFEDLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)sc1C ZINC000292159183 511488581 /nfs/dbraw/zinc/48/85/81/511488581.db2.gz KTNMUTAEVQVPGS-DOMZBBRYSA-N 1 2 371.466 2.507 20 30 FFEDLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)sc1C ZINC000292159183 511488584 /nfs/dbraw/zinc/48/85/84/511488584.db2.gz KTNMUTAEVQVPGS-DOMZBBRYSA-N 1 2 371.466 2.507 20 30 FFEDLO CC1(C#N)CCN(C(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000272440690 511493542 /nfs/dbraw/zinc/49/35/42/511493542.db2.gz ASWILSYOYDPDAJ-UHFFFAOYSA-N 1 2 364.405 2.965 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000280521913 511496929 /nfs/dbraw/zinc/49/69/29/511496929.db2.gz BDWZPMLPVDCVSX-INIZCTEOSA-N 1 2 367.449 2.823 20 30 FFEDLO Cc1ccccc1CC[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000295728146 511497076 /nfs/dbraw/zinc/49/70/76/511497076.db2.gz OQGBNGNEUCSZBP-SFHVURJKSA-N 1 2 374.444 2.995 20 30 FFEDLO Cc1ccccc1CC[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000295728146 511497081 /nfs/dbraw/zinc/49/70/81/511497081.db2.gz OQGBNGNEUCSZBP-SFHVURJKSA-N 1 2 374.444 2.995 20 30 FFEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(F)c1 ZINC000292237390 511516512 /nfs/dbraw/zinc/51/65/12/511516512.db2.gz QAMBFQMJGKOIBS-GOEBONIOSA-N 1 2 368.412 2.881 20 30 FFEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(F)c1 ZINC000292237390 511516515 /nfs/dbraw/zinc/51/65/15/511516515.db2.gz QAMBFQMJGKOIBS-GOEBONIOSA-N 1 2 368.412 2.881 20 30 FFEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C3CC3)n2)cc1 ZINC000273320745 511521404 /nfs/dbraw/zinc/52/14/04/511521404.db2.gz PRPWTRVBMRLEEL-XCLFUZPHSA-N 1 2 367.453 2.758 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281043465 511698996 /nfs/dbraw/zinc/69/89/96/511698996.db2.gz XJBSUJFDSFAXRB-UWJYYQICSA-N 1 2 373.460 2.541 20 30 FFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C2 ZINC000281067015 511707341 /nfs/dbraw/zinc/70/73/41/511707341.db2.gz ZOLLLKCPMMGVJK-QGZVFWFLSA-N 1 2 361.449 2.682 20 30 FFEDLO C=CCC[C@@H](Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1)c1ccccc1 ZINC000302393735 511708494 /nfs/dbraw/zinc/70/84/94/511708494.db2.gz GDKKTBSWMKYMJE-QGZVFWFLSA-N 1 2 351.454 2.874 20 30 FFEDLO C=CCC[C@@H](Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)c1ccccc1 ZINC000302393735 511708495 /nfs/dbraw/zinc/70/84/95/511708495.db2.gz GDKKTBSWMKYMJE-QGZVFWFLSA-N 1 2 351.454 2.874 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000303700407 511748478 /nfs/dbraw/zinc/74/84/78/511748478.db2.gz ODJZFLSQMMXSBV-PKOBYXMFSA-N 1 2 357.498 2.927 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000303700407 511748488 /nfs/dbraw/zinc/74/84/88/511748488.db2.gz ODJZFLSQMMXSBV-PKOBYXMFSA-N 1 2 357.498 2.927 20 30 FFEDLO N#Cc1ccc(Cl)c(C(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000284849855 511898776 /nfs/dbraw/zinc/89/87/76/511898776.db2.gz CRRZIMOPIJFYLY-UHFFFAOYSA-N 1 2 369.852 2.974 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@](F)(CO)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328720873 511920659 /nfs/dbraw/zinc/92/06/59/511920659.db2.gz WKSBNFJYPNDXAB-YQQAZPJKSA-N 1 2 373.831 2.545 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)N2CC[C@](F)(CO)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328720873 511920664 /nfs/dbraw/zinc/92/06/64/511920664.db2.gz WKSBNFJYPNDXAB-YQQAZPJKSA-N 1 2 373.831 2.545 20 30 FFEDLO Cc1cc([C@@H]2CCCN(C([O-])=[NH+]CCc3cn4c([nH+]3)CCCC4)C2)n[nH]1 ZINC000328828036 511937027 /nfs/dbraw/zinc/93/70/27/511937027.db2.gz UBSDJEALSMIVNR-OAHLLOKOSA-N 1 2 356.474 2.587 20 30 FFEDLO Cc1cc([C@@H]2CCCN(C([O-])=[NH+]CCc3cn4c([nH+]3)CCCC4)C2)[nH]n1 ZINC000328828036 511937033 /nfs/dbraw/zinc/93/70/33/511937033.db2.gz UBSDJEALSMIVNR-OAHLLOKOSA-N 1 2 356.474 2.587 20 30 FFEDLO CCCc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000293374450 511940602 /nfs/dbraw/zinc/94/06/02/511940602.db2.gz FWKGFQRVPBHXTD-ZWKOTPCHSA-N 1 2 361.511 2.638 20 30 FFEDLO CC1(C)C[N@H+](CC(=O)NC2CCOCC2)C[C@H](COc2ccccc2)O1 ZINC000328932354 511951879 /nfs/dbraw/zinc/95/18/79/511951879.db2.gz DKAKZYYJXSDMMO-GOSISDBHSA-N 1 2 362.470 2.680 20 30 FFEDLO CC1(C)C[N@@H+](CC(=O)NC2CCOCC2)C[C@H](COc2ccccc2)O1 ZINC000328932354 511951881 /nfs/dbraw/zinc/95/18/81/511951881.db2.gz DKAKZYYJXSDMMO-GOSISDBHSA-N 1 2 362.470 2.680 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)c2cccc(F)c2)CCC(=O)N1C1CC1 ZINC000329020483 511967989 /nfs/dbraw/zinc/96/79/89/511967989.db2.gz LVKSQLACPAPVGB-CRAIPNDOSA-N 1 2 356.401 2.759 20 30 FFEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C2)n1 ZINC000329067636 511977260 /nfs/dbraw/zinc/97/72/60/511977260.db2.gz XCVKCEPYEMQEHE-JTQLQIEISA-N 1 2 366.324 2.777 20 30 FFEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C2)n1 ZINC000329067636 511977264 /nfs/dbraw/zinc/97/72/64/511977264.db2.gz XCVKCEPYEMQEHE-JTQLQIEISA-N 1 2 366.324 2.777 20 30 FFEDLO CC1(C)CC[C@@H](NC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000329086362 511980475 /nfs/dbraw/zinc/98/04/75/511980475.db2.gz UTYKCWFXINHZCJ-MRXNPFEDSA-N 1 2 355.486 2.945 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)[C@H]1C ZINC000329165028 511997727 /nfs/dbraw/zinc/99/77/27/511997727.db2.gz HGSJASLPRVDHOX-LTIDMASMSA-N 1 2 367.559 2.807 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)[C@H]1C ZINC000329165028 511997734 /nfs/dbraw/zinc/99/77/34/511997734.db2.gz HGSJASLPRVDHOX-LTIDMASMSA-N 1 2 367.559 2.807 20 30 FFEDLO O=C(Nc1ccccc1CN1CCNC1=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329299678 512022633 /nfs/dbraw/zinc/02/26/33/512022633.db2.gz VEUZUHRPUSSYAQ-OAHLLOKOSA-N 1 2 368.441 2.564 20 30 FFEDLO CC(C)c1cc(C(=O)NC[C@H]2CN(C)CC[N@@H+]2C)c2cnn(C(C)C)c2n1 ZINC000329487249 512056093 /nfs/dbraw/zinc/05/60/93/512056093.db2.gz RJDYFLCNHGGRKU-HNNXBMFYSA-N 1 2 372.517 2.686 20 30 FFEDLO CC(C)c1cc(C(=O)NC[C@H]2CN(C)CC[N@H+]2C)c2cnn(C(C)C)c2n1 ZINC000329487249 512056095 /nfs/dbraw/zinc/05/60/95/512056095.db2.gz RJDYFLCNHGGRKU-HNNXBMFYSA-N 1 2 372.517 2.686 20 30 FFEDLO C[NH+]1CCC(C)(CNC([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329518915 512062299 /nfs/dbraw/zinc/06/22/99/512062299.db2.gz PXJLFKXSCUEYLH-HNNXBMFYSA-N 1 2 361.534 2.731 20 30 FFEDLO O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329529207 512065134 /nfs/dbraw/zinc/06/51/34/512065134.db2.gz IJVDMGJJHMVCMF-YJBOKZPZSA-N 1 2 363.502 2.520 20 30 FFEDLO O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329529207 512065138 /nfs/dbraw/zinc/06/51/38/512065138.db2.gz IJVDMGJJHMVCMF-YJBOKZPZSA-N 1 2 363.502 2.520 20 30 FFEDLO O=C(C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2)NCC1CC1 ZINC000329556217 512068975 /nfs/dbraw/zinc/06/89/75/512068975.db2.gz HGLAPTCHOXAPRE-KRWDZBQOSA-N 1 2 357.454 2.781 20 30 FFEDLO O=C(C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2)NCC1CC1 ZINC000329556217 512068981 /nfs/dbraw/zinc/06/89/81/512068981.db2.gz HGLAPTCHOXAPRE-KRWDZBQOSA-N 1 2 357.454 2.781 20 30 FFEDLO O=C1c2cnn(-c3ncccn3)c2CC/C1=C\c1[nH+]ccn1CC(F)(F)F ZINC000366540385 512079486 /nfs/dbraw/zinc/07/94/86/512079486.db2.gz ZMILRQLCRXGRQP-DHZHZOJOSA-N 1 2 374.326 2.634 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000329631139 512079722 /nfs/dbraw/zinc/07/97/22/512079722.db2.gz VRJYDVXPZPQOOH-SJKOYZFVSA-N 1 2 360.845 2.908 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000329631139 512079723 /nfs/dbraw/zinc/07/97/23/512079723.db2.gz VRJYDVXPZPQOOH-SJKOYZFVSA-N 1 2 360.845 2.908 20 30 FFEDLO CC(C)N1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1=O ZINC000329678968 512085697 /nfs/dbraw/zinc/08/56/97/512085697.db2.gz QPLNMWXRYFHIDT-AEFFLSMTSA-N 1 2 361.511 2.742 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000329736680 512092516 /nfs/dbraw/zinc/09/25/16/512092516.db2.gz LQICICDJJPDBMT-IAGOWNOFSA-N 1 2 359.518 2.769 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000329736680 512092517 /nfs/dbraw/zinc/09/25/17/512092517.db2.gz LQICICDJJPDBMT-IAGOWNOFSA-N 1 2 359.518 2.769 20 30 FFEDLO CCC1(CNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCCC1 ZINC000329825342 512101751 /nfs/dbraw/zinc/10/17/51/512101751.db2.gz ICTPYSOQKOHIGW-UHFFFAOYSA-N 1 2 373.501 2.766 20 30 FFEDLO CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1C#N ZINC000377820299 512465015 /nfs/dbraw/zinc/46/50/15/512465015.db2.gz CNDZTZSXTODEQU-CYBMUJFWSA-N 1 2 368.397 2.529 20 30 FFEDLO CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1C#N ZINC000377820299 512465021 /nfs/dbraw/zinc/46/50/21/512465021.db2.gz CNDZTZSXTODEQU-CYBMUJFWSA-N 1 2 368.397 2.529 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cs1 ZINC000411124385 512478318 /nfs/dbraw/zinc/47/83/18/512478318.db2.gz HJCGXHRYKJPARO-UHFFFAOYSA-N 1 2 359.426 2.868 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000377999027 512543365 /nfs/dbraw/zinc/54/33/65/512543365.db2.gz XRSWSVGSRFSAMF-FXAWDEMLSA-N 1 2 353.470 2.765 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000377999027 512543368 /nfs/dbraw/zinc/54/33/68/512543368.db2.gz XRSWSVGSRFSAMF-FXAWDEMLSA-N 1 2 353.470 2.765 20 30 FFEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000378236752 512652913 /nfs/dbraw/zinc/65/29/13/512652913.db2.gz UNYSFQDGDPHMEB-NSHDSACASA-N 1 2 350.831 2.503 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c(C(F)(F)F)c1 ZINC000371962159 512655337 /nfs/dbraw/zinc/65/53/37/512655337.db2.gz VBLJVYAGHJGMIO-GFCCVEGCSA-N 1 2 370.356 2.826 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000376135851 512677790 /nfs/dbraw/zinc/67/77/90/512677790.db2.gz SONKGWIHLQOVAQ-FRQCXROJSA-N 1 2 360.502 2.971 20 30 FFEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374351217 512784141 /nfs/dbraw/zinc/78/41/41/512784141.db2.gz BWARDMRYTDCYPS-FUHWJXTLSA-N 1 2 352.438 2.711 20 30 FFEDLO CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cn2c([nH+]1)CCCC2 ZINC000376460416 512827961 /nfs/dbraw/zinc/82/79/61/512827961.db2.gz WPDUGAHNFGKQNM-UHFFFAOYSA-N 1 2 357.845 2.815 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411872423 512852772 /nfs/dbraw/zinc/85/27/72/512852772.db2.gz JSVBAEPZJRSZHB-OXQOHEQNSA-N 1 2 371.481 2.831 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411872423 512852780 /nfs/dbraw/zinc/85/27/80/512852780.db2.gz JSVBAEPZJRSZHB-OXQOHEQNSA-N 1 2 371.481 2.831 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000412043851 512927825 /nfs/dbraw/zinc/92/78/25/512927825.db2.gz PTSPKGAOTUZHOG-ZFWWWQNUSA-N 1 2 359.499 2.567 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000412043851 512927828 /nfs/dbraw/zinc/92/78/28/512927828.db2.gz PTSPKGAOTUZHOG-ZFWWWQNUSA-N 1 2 359.499 2.567 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000412043851 512927833 /nfs/dbraw/zinc/92/78/33/512927833.db2.gz PTSPKGAOTUZHOG-ZFWWWQNUSA-N 1 2 359.499 2.567 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000412043851 512927837 /nfs/dbraw/zinc/92/78/37/512927837.db2.gz PTSPKGAOTUZHOG-ZFWWWQNUSA-N 1 2 359.499 2.567 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000412043851 512927840 /nfs/dbraw/zinc/92/78/40/512927840.db2.gz PTSPKGAOTUZHOG-ZFWWWQNUSA-N 1 2 359.499 2.567 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000412043851 512927844 /nfs/dbraw/zinc/92/78/44/512927844.db2.gz PTSPKGAOTUZHOG-ZFWWWQNUSA-N 1 2 359.499 2.567 20 30 FFEDLO Cc1cccn2cc(-c3ccc(NC(=O)[C@H](C)n4cnc(C#N)n4)cc3)[nH+]c12 ZINC000409480142 513111281 /nfs/dbraw/zinc/11/12/81/513111281.db2.gz PTGRAXXTXMRWAA-AWEZNQCLSA-N 1 2 371.404 2.973 20 30 FFEDLO N#Cc1c(Cl)cccc1NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000450295121 513127775 /nfs/dbraw/zinc/12/77/75/513127775.db2.gz VDSZNHZZGLHBJD-UHFFFAOYSA-N 1 2 369.856 2.757 20 30 FFEDLO N#Cc1cc(Br)cnc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000450298311 513129290 /nfs/dbraw/zinc/12/92/90/513129290.db2.gz ASSPHPRZRNIHFN-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO Cc1cc(C[NH+]2CCN(c3cc(C(F)(F)F)cnc3C#N)CC2)on1 ZINC000413035371 513397885 /nfs/dbraw/zinc/39/78/85/513397885.db2.gz PMILXAGVTCBWKY-UHFFFAOYSA-N 1 2 351.332 2.591 20 30 FFEDLO Cc1cc(NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)c(C#N)c[nH+]1 ZINC000425216280 513457019 /nfs/dbraw/zinc/45/70/19/513457019.db2.gz QFNKTVSWNHNCNT-CQSZACIVSA-N 1 2 351.328 2.554 20 30 FFEDLO Cc1cc(NC[C@@H](O)COc2cccc(C(F)(F)F)c2)c(C#N)c[nH+]1 ZINC000425218396 513458788 /nfs/dbraw/zinc/45/87/88/513458788.db2.gz YCFYZAOZQZJRTN-CQSZACIVSA-N 1 2 351.328 2.554 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000441083733 513479194 /nfs/dbraw/zinc/47/91/94/513479194.db2.gz GXECDUCDYROIJB-HNAYVOBHSA-N 1 2 353.507 2.837 20 30 FFEDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000430202455 513586542 /nfs/dbraw/zinc/58/65/42/513586542.db2.gz CTTKTWILAJMIOR-UHFFFAOYSA-N 1 2 352.394 2.797 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451436475 513751234 /nfs/dbraw/zinc/75/12/34/513751234.db2.gz RZPJHUVFWKATIQ-PXAZEXFGSA-N 1 2 369.437 2.579 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451436475 513751241 /nfs/dbraw/zinc/75/12/41/513751241.db2.gz RZPJHUVFWKATIQ-PXAZEXFGSA-N 1 2 369.437 2.579 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000425854509 513776220 /nfs/dbraw/zinc/77/62/20/513776220.db2.gz KJXUQIGGQDUGOZ-ROUUACIJSA-N 1 2 354.454 2.664 20 30 FFEDLO C[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC(F)(F)F ZINC000413746645 513799017 /nfs/dbraw/zinc/79/90/17/513799017.db2.gz KKCZJXXNSNJZGA-CQSZACIVSA-N 1 2 368.403 2.974 20 30 FFEDLO Cc1cccc(S(=O)(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1C#N ZINC000443102868 513871781 /nfs/dbraw/zinc/87/17/81/513871781.db2.gz NOMRRHLLYSNIJX-UHFFFAOYSA-N 1 2 370.478 2.731 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(F)cc1C(=O)c1ccccc1 ZINC000414126656 513983475 /nfs/dbraw/zinc/98/34/75/513983475.db2.gz OPMHLRMJDJQJDS-QGZVFWFLSA-N 1 2 356.397 2.642 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(F)cc1C(=O)c1ccccc1 ZINC000414126656 513983482 /nfs/dbraw/zinc/98/34/82/513983482.db2.gz OPMHLRMJDJQJDS-QGZVFWFLSA-N 1 2 356.397 2.642 20 30 FFEDLO C=C[C@H](CO)NC(=O)c1ccccc1SCc1cn2ccccc2[nH+]1 ZINC000426856585 514060010 /nfs/dbraw/zinc/06/00/10/514060010.db2.gz CHBLRFQJEXANKU-CQSZACIVSA-N 1 2 353.447 2.903 20 30 FFEDLO C=CCOc1ccc(Br)cc1N[C@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423170017 514068513 /nfs/dbraw/zinc/06/85/13/514068513.db2.gz LAKLTWBXWMIBSU-WFASDCNBSA-N 1 2 369.259 2.719 20 30 FFEDLO Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2C)n(-c2cc[nH+]cc2)n1 ZINC000437323611 514140924 /nfs/dbraw/zinc/14/09/24/514140924.db2.gz KTDBKZYLVPBWBD-UHFFFAOYSA-N 1 2 353.407 2.557 20 30 FFEDLO Cc1cc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)n(-c2cc[nH+]cc2)n1 ZINC000437338016 514144400 /nfs/dbraw/zinc/14/44/00/514144400.db2.gz DLMWKEPXIDIXLR-UHFFFAOYSA-N 1 2 373.825 2.902 20 30 FFEDLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000449525461 514239001 /nfs/dbraw/zinc/23/90/01/514239001.db2.gz BIHOTQDTMBIYTH-KRWDZBQOSA-N 1 2 350.484 2.768 20 30 FFEDLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000449525461 514239006 /nfs/dbraw/zinc/23/90/06/514239006.db2.gz BIHOTQDTMBIYTH-KRWDZBQOSA-N 1 2 350.484 2.768 20 30 FFEDLO C=CCc1cc(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc(OC)c1O ZINC000449600180 514266905 /nfs/dbraw/zinc/26/69/05/514266905.db2.gz IXLHZMURLUNEAX-HNNXBMFYSA-N 1 2 368.424 2.865 20 30 FFEDLO C=CCc1cc(C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc(OC)c1O ZINC000449600180 514266909 /nfs/dbraw/zinc/26/69/09/514266909.db2.gz IXLHZMURLUNEAX-HNNXBMFYSA-N 1 2 368.424 2.865 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000427989258 514368458 /nfs/dbraw/zinc/36/84/58/514368458.db2.gz FPFUKMHSQNREMV-UHFFFAOYSA-N 1 2 357.479 2.922 20 30 FFEDLO N#Cc1ccccc1OCc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)o1 ZINC000428008272 514372349 /nfs/dbraw/zinc/37/23/49/514372349.db2.gz ZSBXQVTTZDYRJO-HNNXBMFYSA-N 1 2 362.389 2.672 20 30 FFEDLO C[NH+](C)[C@@H](CNC(=O)c1ncc(C#N)cc1Cl)c1c(F)cccc1F ZINC000428016283 514374463 /nfs/dbraw/zinc/37/44/63/514374463.db2.gz WGVXRLQLHDWJDW-AWEZNQCLSA-N 1 2 364.783 2.918 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCSC[C@@H]1CCO ZINC000438655234 514420721 /nfs/dbraw/zinc/42/07/21/514420721.db2.gz YCWPEJYMZGJKQT-AWEZNQCLSA-N 1 2 352.525 2.703 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000438655234 514420729 /nfs/dbraw/zinc/42/07/29/514420729.db2.gz YCWPEJYMZGJKQT-AWEZNQCLSA-N 1 2 352.525 2.703 20 30 FFEDLO CCN(CC)c1ccc(CNc2ncc(Br)cc2C#N)c[nH+]1 ZINC000450254070 514566584 /nfs/dbraw/zinc/56/65/84/514566584.db2.gz HFDHHJNABSZHBR-UHFFFAOYSA-N 1 2 360.259 2.991 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000455545412 514583018 /nfs/dbraw/zinc/58/30/18/514583018.db2.gz QDOQYKFYTLIUNU-HNNXBMFYSA-N 1 2 367.428 2.681 20 30 FFEDLO N#CC1(F)CCN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000502391648 514634247 /nfs/dbraw/zinc/63/42/47/514634247.db2.gz WHIJCFJCVYBPOA-UHFFFAOYSA-N 1 2 364.852 2.735 20 30 FFEDLO N#CC1(F)CCN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000502391648 514634255 /nfs/dbraw/zinc/63/42/55/514634255.db2.gz WHIJCFJCVYBPOA-UHFFFAOYSA-N 1 2 364.852 2.735 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)CC2(C#N)CCCCC2)c1C ZINC000475568025 514718213 /nfs/dbraw/zinc/71/82/13/514718213.db2.gz FUJHUPSHGGANNB-UHFFFAOYSA-N 1 2 365.499 2.943 20 30 FFEDLO COc1ccc2nc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)sc2c1 ZINC000475579744 514722246 /nfs/dbraw/zinc/72/22/46/514722246.db2.gz ALJUIDPCYICBRB-UHFFFAOYSA-N 1 2 365.462 2.894 20 30 FFEDLO C[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000461757054 514722975 /nfs/dbraw/zinc/72/29/75/514722975.db2.gz PWQFPXWIMBVRGS-DYESRHJHSA-N 1 2 363.461 2.679 20 30 FFEDLO C[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000461757054 514722988 /nfs/dbraw/zinc/72/29/88/514722988.db2.gz PWQFPXWIMBVRGS-DYESRHJHSA-N 1 2 363.461 2.679 20 30 FFEDLO CC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccncc1 ZINC000502762630 514767179 /nfs/dbraw/zinc/76/71/79/514767179.db2.gz LEDZSYSQBWXSPC-UHFFFAOYSA-N 1 2 360.421 2.600 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccncc1 ZINC000502762630 514767189 /nfs/dbraw/zinc/76/71/89/514767189.db2.gz LEDZSYSQBWXSPC-UHFFFAOYSA-N 1 2 360.421 2.600 20 30 FFEDLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+](CCC#N)CCC(C)C ZINC000484912866 514841142 /nfs/dbraw/zinc/84/11/42/514841142.db2.gz RHECFCZQQGOVPV-GOSISDBHSA-N 1 2 373.497 2.937 20 30 FFEDLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000484912866 514841153 /nfs/dbraw/zinc/84/11/53/514841153.db2.gz RHECFCZQQGOVPV-GOSISDBHSA-N 1 2 373.497 2.937 20 30 FFEDLO C=CCn1c([C@@H](C)CC)nnc1N1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000508818493 514903075 /nfs/dbraw/zinc/90/30/75/514903075.db2.gz SVMMZVIJIHMZJQ-AWEZNQCLSA-N 1 2 358.490 2.905 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000480294072 514910163 /nfs/dbraw/zinc/91/01/63/514910163.db2.gz NOUIKLVUOOEZRS-QGZVFWFLSA-N 1 2 369.425 2.590 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458577855 514920206 /nfs/dbraw/zinc/92/02/06/514920206.db2.gz BXJLPJZMHUZKNI-KBRIMQKVSA-N 1 2 369.868 2.851 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458577855 514920217 /nfs/dbraw/zinc/92/02/17/514920217.db2.gz BXJLPJZMHUZKNI-KBRIMQKVSA-N 1 2 369.868 2.851 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000471627104 514960784 /nfs/dbraw/zinc/96/07/84/514960784.db2.gz IHUPUIHZCCKILY-SFHVURJKSA-N 1 2 357.417 2.715 20 30 FFEDLO Cc1cc(C[N@@H+]2CCNC(=O)[C@@H]2Cc2nc3ccccc3o2)ccc1C#N ZINC000503212756 514962144 /nfs/dbraw/zinc/96/21/44/514962144.db2.gz QTAJMMRRAFTHAZ-SFHVURJKSA-N 1 2 360.417 2.551 20 30 FFEDLO Cc1cc(C[N@H+]2CCNC(=O)[C@@H]2Cc2nc3ccccc3o2)ccc1C#N ZINC000503212756 514962155 /nfs/dbraw/zinc/96/21/55/514962155.db2.gz QTAJMMRRAFTHAZ-SFHVURJKSA-N 1 2 360.417 2.551 20 30 FFEDLO COc1cc(CNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)ccc1C#N ZINC000462267452 514966302 /nfs/dbraw/zinc/96/63/02/514966302.db2.gz HTBAFZNUROCJBE-UHFFFAOYSA-N 1 2 368.437 2.929 20 30 FFEDLO Cc1cc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)nn1-c1cccc(C#N)c1 ZINC000503338422 515005039 /nfs/dbraw/zinc/00/50/39/515005039.db2.gz OOOLAIHSHYCNIR-IBGZPJMESA-N 1 2 373.416 2.741 20 30 FFEDLO C=CCCC1(C(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)CC1 ZINC000476372929 515021812 /nfs/dbraw/zinc/02/18/12/515021812.db2.gz AGEOPGIAVUJLJB-UHFFFAOYSA-N 1 2 358.482 2.965 20 30 FFEDLO CC1(C#N)CCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000503984491 515189083 /nfs/dbraw/zinc/18/90/83/515189083.db2.gz FMXJYQCLKSCAJN-UHFFFAOYSA-N 1 2 351.454 2.809 20 30 FFEDLO C=CCC1(CNC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCCC1 ZINC000454230436 515323605 /nfs/dbraw/zinc/32/36/05/515323605.db2.gz HQPBUDZVTHMOSG-UHFFFAOYSA-N 1 2 358.486 2.854 20 30 FFEDLO N#Cc1cccc(SCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000468638347 515447863 /nfs/dbraw/zinc/44/78/63/515447863.db2.gz BDUYTLRTTGXVJD-UHFFFAOYSA-N 1 2 351.475 2.995 20 30 FFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000477459370 515465321 /nfs/dbraw/zinc/46/53/21/515465321.db2.gz JIEYPPSYSSZIRR-HOTGVXAUSA-N 1 2 367.902 2.698 20 30 FFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000477459370 515465329 /nfs/dbraw/zinc/46/53/29/515465329.db2.gz JIEYPPSYSSZIRR-HOTGVXAUSA-N 1 2 367.902 2.698 20 30 FFEDLO C=C(C)CS(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000477492670 515477643 /nfs/dbraw/zinc/47/76/43/515477643.db2.gz FIPFZXYGBUTKTF-IRXDYDNUSA-N 1 2 358.454 2.984 20 30 FFEDLO C=C(C)CS(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000477492670 515477652 /nfs/dbraw/zinc/47/76/52/515477652.db2.gz FIPFZXYGBUTKTF-IRXDYDNUSA-N 1 2 358.454 2.984 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CC[C@H](C)Sc3ccccc32)C1=O ZINC000499993561 515549529 /nfs/dbraw/zinc/54/95/29/515549529.db2.gz ANNVSTJUTKVZGW-DOTOQJQBSA-N 1 2 373.522 2.623 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N2CC[C@H](C)Sc3ccccc32)C1=O ZINC000499993561 515549543 /nfs/dbraw/zinc/54/95/43/515549543.db2.gz ANNVSTJUTKVZGW-DOTOQJQBSA-N 1 2 373.522 2.623 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N[C@@H](CCC)c2ccccc2)C1=O ZINC000500004513 515555265 /nfs/dbraw/zinc/55/52/65/515555265.db2.gz BVHGKSDSJRNTJH-WDSOQIARSA-N 1 2 357.498 2.751 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N[C@@H](CCC)c2ccccc2)C1=O ZINC000500004513 515555272 /nfs/dbraw/zinc/55/52/72/515555272.db2.gz BVHGKSDSJRNTJH-WDSOQIARSA-N 1 2 357.498 2.751 20 30 FFEDLO CCOc1cc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)ccc1[N+](=O)[O-] ZINC000492845940 515568090 /nfs/dbraw/zinc/56/80/90/515568090.db2.gz HDPVDMLEUSMNHQ-UHFFFAOYSA-N 1 2 367.409 2.582 20 30 FFEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000477748260 515576120 /nfs/dbraw/zinc/57/61/20/515576120.db2.gz ZKLGVEHLRABEES-FQEVSTJZSA-N 1 2 350.418 2.927 20 30 FFEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCCOc1cccc(C#N)c1 ZINC000477748260 515576129 /nfs/dbraw/zinc/57/61/29/515576129.db2.gz ZKLGVEHLRABEES-FQEVSTJZSA-N 1 2 350.418 2.927 20 30 FFEDLO Cc1cc(C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)ccc1C#N ZINC000486702584 515602516 /nfs/dbraw/zinc/60/25/16/515602516.db2.gz WOSVBFWLGFLRHH-UHFFFAOYSA-N 1 2 363.417 2.553 20 30 FFEDLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000459596561 515682009 /nfs/dbraw/zinc/68/20/09/515682009.db2.gz SFLMDFSIMFDGJC-UHFFFAOYSA-N 1 2 350.426 3.000 20 30 FFEDLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000459596561 515682018 /nfs/dbraw/zinc/68/20/18/515682018.db2.gz SFLMDFSIMFDGJC-UHFFFAOYSA-N 1 2 350.426 3.000 20 30 FFEDLO COCCOCc1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000459610803 515693622 /nfs/dbraw/zinc/69/36/22/515693622.db2.gz KWJMNHZALDFLSG-UHFFFAOYSA-N 1 2 352.434 2.984 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)NC(C)(C)C)CC2)cc1OC ZINC000482536582 515713177 /nfs/dbraw/zinc/71/31/77/515713177.db2.gz UAZSQMGCEFZIOI-UHFFFAOYSA-N 1 2 361.486 2.886 20 30 FFEDLO CCC(=O)N[C@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000500458288 515722145 /nfs/dbraw/zinc/72/21/45/515722145.db2.gz SGQCGMMVCHYZDV-INIZCTEOSA-N 1 2 366.465 2.728 20 30 FFEDLO CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000500458288 515722153 /nfs/dbraw/zinc/72/21/53/515722153.db2.gz SGQCGMMVCHYZDV-INIZCTEOSA-N 1 2 366.465 2.728 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1csc2ccccc12 ZINC000478208735 515736992 /nfs/dbraw/zinc/73/69/92/515736992.db2.gz LJRHJRLGCHWHFV-UHFFFAOYSA-N 1 2 357.479 2.518 20 30 FFEDLO COc1cccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c1OC ZINC000506085157 515773756 /nfs/dbraw/zinc/77/37/56/515773756.db2.gz IBCNALVCJAAPPJ-UHFFFAOYSA-N 1 2 351.450 2.893 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+](CCO)Cc2cccc(F)c2)c(C#N)c1C ZINC000494229333 515776241 /nfs/dbraw/zinc/77/62/41/515776241.db2.gz BUIUPPQUMZGYRB-UHFFFAOYSA-N 1 2 361.442 2.809 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+](CCO)Cc2cccc(F)c2)c(C#N)c1C ZINC000494229333 515776251 /nfs/dbraw/zinc/77/62/51/515776251.db2.gz BUIUPPQUMZGYRB-UHFFFAOYSA-N 1 2 361.442 2.809 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511126410 515794569 /nfs/dbraw/zinc/79/45/69/515794569.db2.gz PXXSKHSRXLCFLE-GOSISDBHSA-N 1 2 353.378 2.855 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511126410 515794577 /nfs/dbraw/zinc/79/45/77/515794577.db2.gz PXXSKHSRXLCFLE-GOSISDBHSA-N 1 2 353.378 2.855 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000469612515 515890282 /nfs/dbraw/zinc/89/02/82/515890282.db2.gz APSQUCGKBHOFLA-SECBINFHSA-N 1 2 357.298 2.754 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000469612515 515890291 /nfs/dbraw/zinc/89/02/91/515890291.db2.gz APSQUCGKBHOFLA-SECBINFHSA-N 1 2 357.298 2.754 20 30 FFEDLO C=CCCN(C)C(=O)C(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000459959760 515927861 /nfs/dbraw/zinc/92/78/61/515927861.db2.gz USCZNYFSKPOVKK-OAHLLOKOSA-N 1 2 363.889 2.580 20 30 FFEDLO COc1cc2c(c(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)c1)O[C@@H](C)C2 ZINC000506690044 515955990 /nfs/dbraw/zinc/95/59/90/515955990.db2.gz XSZHXZMYQDFAQL-HNNXBMFYSA-N 1 2 364.449 2.607 20 30 FFEDLO N#CC1(NC(=O)C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)CCCCC1 ZINC000483243862 516000466 /nfs/dbraw/zinc/00/04/66/516000466.db2.gz YUQDCWBEXSNSOY-AWEZNQCLSA-N 1 2 370.280 2.959 20 30 FFEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc([S@](C)=O)cc1 ZINC000494954942 516018213 /nfs/dbraw/zinc/01/82/13/516018213.db2.gz BJSDKEXOFSQLDY-SANMLTNESA-N 1 2 366.446 2.978 20 30 FFEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc([S@](C)=O)cc1 ZINC000494954942 516018224 /nfs/dbraw/zinc/01/82/24/516018224.db2.gz BJSDKEXOFSQLDY-SANMLTNESA-N 1 2 366.446 2.978 20 30 FFEDLO Cc1cc(C)c(CNC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)c[nH+]1 ZINC000455253106 516073458 /nfs/dbraw/zinc/07/34/58/516073458.db2.gz LGZSSCNNXIDPSS-CQSZACIVSA-N 1 2 372.450 2.706 20 30 FFEDLO C=C[C@H]1CCCCN1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000495148170 516082105 /nfs/dbraw/zinc/08/21/05/516082105.db2.gz SCRAVCIUDQCNKX-IBGZPJMESA-N 1 2 373.497 2.648 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc(C)n(-c3cccc(C#N)c3)n1)CCC2 ZINC000507282075 516156426 /nfs/dbraw/zinc/15/64/26/516156426.db2.gz OCTTZFGSXQMYML-KRWDZBQOSA-N 1 2 374.448 2.865 20 30 FFEDLO CCN(CC)c1ccc(CNS(=O)(=O)CC2(C#N)CCCCC2)c[nH+]1 ZINC000460474923 516160758 /nfs/dbraw/zinc/16/07/58/516160758.db2.gz YAOXGVYNVQASAC-UHFFFAOYSA-N 1 2 364.515 2.821 20 30 FFEDLO Cc1cc(C(=O)NCc2ccn3cc[nH+]c3c2)nn1-c1cccc(C#N)c1 ZINC000507305373 516165228 /nfs/dbraw/zinc/16/52/28/516165228.db2.gz RAMJWOFGKJSYIF-UHFFFAOYSA-N 1 2 356.389 2.630 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000488240166 516172309 /nfs/dbraw/zinc/17/23/09/516172309.db2.gz FMTUUFHYZNYJTQ-SJORKVTESA-N 1 2 372.513 2.786 20 30 FFEDLO CC(C)(CCC#N)CNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000496163251 516240514 /nfs/dbraw/zinc/24/05/14/516240514.db2.gz AURZIZKCRVSYAK-LJQANCHMSA-N 1 2 372.513 2.559 20 30 FFEDLO CC[C@](C)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(=O)OC ZINC000512400036 516264187 /nfs/dbraw/zinc/26/41/87/516264187.db2.gz NZGVVGFDSUJRAU-SFHVURJKSA-N 1 2 363.483 2.758 20 30 FFEDLO Cc1ccc(CC(=O)N2CC[NH+](CCOc3cccc(C#N)c3)CC2)cc1 ZINC000507650769 516274338 /nfs/dbraw/zinc/27/43/38/516274338.db2.gz YRLRCTXEJOFYPN-UHFFFAOYSA-N 1 2 363.461 2.632 20 30 FFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000512512769 516298498 /nfs/dbraw/zinc/29/84/98/516298498.db2.gz ZPKQEZJUFMFBPP-OAHLLOKOSA-N 1 2 363.506 2.855 20 30 FFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000512512769 516298502 /nfs/dbraw/zinc/29/85/02/516298502.db2.gz ZPKQEZJUFMFBPP-OAHLLOKOSA-N 1 2 363.506 2.855 20 30 FFEDLO CC1(C#N)CCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CC1 ZINC000507828444 516309494 /nfs/dbraw/zinc/30/94/94/516309494.db2.gz SYEGATBTEGICQC-UHFFFAOYSA-N 1 2 365.437 2.678 20 30 FFEDLO C=CC[N@H+](Cc1nnc(C2CC2)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517528933 516352115 /nfs/dbraw/zinc/35/21/15/516352115.db2.gz ATMFERWLDZIHHX-CYBMUJFWSA-N 1 2 351.414 2.672 20 30 FFEDLO C=CC[N@@H+](Cc1nnc(C2CC2)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517528933 516352123 /nfs/dbraw/zinc/35/21/23/516352123.db2.gz ATMFERWLDZIHHX-CYBMUJFWSA-N 1 2 351.414 2.672 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512805502 516367086 /nfs/dbraw/zinc/36/70/86/516367086.db2.gz HPGALRFDHBIDML-GHMZBOCLSA-N 1 2 369.437 2.997 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000512805502 516367090 /nfs/dbraw/zinc/36/70/90/516367090.db2.gz HPGALRFDHBIDML-GHMZBOCLSA-N 1 2 369.437 2.997 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000517623416 516388038 /nfs/dbraw/zinc/38/80/38/516388038.db2.gz UGRADUMKKUUWPA-UHFFFAOYSA-N 1 2 362.433 2.892 20 30 FFEDLO Cc1cc(NCc2cccc(OCC[NH+]3CCOCC3)c2)cc(C#N)n1 ZINC000561149259 516408557 /nfs/dbraw/zinc/40/85/57/516408557.db2.gz QXUVWQNGSBJJQO-UHFFFAOYSA-N 1 2 352.438 2.585 20 30 FFEDLO N#Cc1ccc([C@H]([NH2+]Cc2cc(F)ccc2Br)C(N)=O)cc1 ZINC000523734809 516563246 /nfs/dbraw/zinc/56/32/46/516563246.db2.gz JKGGHDFHNDXBJC-HNNXBMFYSA-N 1 2 362.202 2.776 20 30 FFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000523935994 516613417 /nfs/dbraw/zinc/61/34/17/516613417.db2.gz CQMVAEXRYXRZMZ-UHFFFAOYSA-N 1 2 372.513 2.837 20 30 FFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000523935994 516613427 /nfs/dbraw/zinc/61/34/27/516613427.db2.gz CQMVAEXRYXRZMZ-UHFFFAOYSA-N 1 2 372.513 2.837 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1C#N ZINC000528783778 516694485 /nfs/dbraw/zinc/69/44/85/516694485.db2.gz NJRRFMFAFJGIGG-YPBQGGFRSA-N 1 2 354.479 2.538 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1C#N ZINC000528783778 516694491 /nfs/dbraw/zinc/69/44/91/516694491.db2.gz NJRRFMFAFJGIGG-YPBQGGFRSA-N 1 2 354.479 2.538 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)cc1 ZINC000551447775 516714577 /nfs/dbraw/zinc/71/45/77/516714577.db2.gz LJNRYPFHBGHVGP-IBGZPJMESA-N 1 2 370.403 2.575 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)cc1 ZINC000551447775 516714585 /nfs/dbraw/zinc/71/45/85/516714585.db2.gz LJNRYPFHBGHVGP-IBGZPJMESA-N 1 2 370.403 2.575 20 30 FFEDLO C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000513819419 516768662 /nfs/dbraw/zinc/76/86/62/516768662.db2.gz WOODHEHXEOQEAJ-QGZVFWFLSA-N 1 2 354.498 2.860 20 30 FFEDLO Cc1ccc(-c2noc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)n2)cc1F ZINC000544508512 516789062 /nfs/dbraw/zinc/78/90/62/516789062.db2.gz AOASCWQYDBAELL-STQMWFEESA-N 1 2 359.405 2.595 20 30 FFEDLO Cc1ccc(-c2noc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)n2)cc1F ZINC000544518401 516794339 /nfs/dbraw/zinc/79/43/39/516794339.db2.gz LAFBQEHDERALEH-DJJJIMSYSA-N 1 2 373.432 2.889 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541156644 516903996 /nfs/dbraw/zinc/90/39/96/516903996.db2.gz JXOBQBVNSSBSTM-FUEDEBDSSA-N 1 2 354.376 2.698 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541156644 516904007 /nfs/dbraw/zinc/90/40/07/516904007.db2.gz JXOBQBVNSSBSTM-FUEDEBDSSA-N 1 2 354.376 2.698 20 30 FFEDLO CCOc1ccc(-c2nc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)cs2)cc1 ZINC000558897903 516993439 /nfs/dbraw/zinc/99/34/39/516993439.db2.gz FKAHYCFZIJVLSW-LJQANCHMSA-N 1 2 372.494 2.711 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCOC[C@@H]3CC3CCC3)C2=O)cc1 ZINC000555761731 517110540 /nfs/dbraw/zinc/11/05/40/517110540.db2.gz IZDZSGLCNDGMIA-PMACEKPBSA-N 1 2 353.466 2.945 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCOC[C@@H]3CC3CCC3)C2=O)cc1 ZINC000555761731 517110546 /nfs/dbraw/zinc/11/05/46/517110546.db2.gz IZDZSGLCNDGMIA-PMACEKPBSA-N 1 2 353.466 2.945 20 30 FFEDLO C[C@](O)(C1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1)C(F)(F)F ZINC000545244495 517126007 /nfs/dbraw/zinc/12/60/07/517126007.db2.gz NFLMRFYTDFKWSR-INIZCTEOSA-N 1 2 352.360 2.731 20 30 FFEDLO C[C@H](c1nnc(Sc2cc(C#N)ncn2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000555798525 517130402 /nfs/dbraw/zinc/13/04/02/517130402.db2.gz KDFYHNVBCMOAKY-LLVKDONJSA-N 1 2 369.429 2.842 20 30 FFEDLO COc1ccccc1C[C@H](C)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000532826351 517161324 /nfs/dbraw/zinc/16/13/24/517161324.db2.gz QYSIDEATKIEYPO-INIZCTEOSA-N 1 2 372.490 2.904 20 30 FFEDLO COc1ccccc1C[C@H](C)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000532826351 517161336 /nfs/dbraw/zinc/16/13/36/517161336.db2.gz QYSIDEATKIEYPO-INIZCTEOSA-N 1 2 372.490 2.904 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000532923393 517204085 /nfs/dbraw/zinc/20/40/85/517204085.db2.gz KJOLQGMWSNVDKP-LJQANCHMSA-N 1 2 372.440 2.864 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000532923393 517204091 /nfs/dbraw/zinc/20/40/91/517204091.db2.gz KJOLQGMWSNVDKP-LJQANCHMSA-N 1 2 372.440 2.864 20 30 FFEDLO CC[N@H+](CC1=Nc2ccccc2S(=O)(=O)N1)[C@@H](C)c1ccc(C#N)cc1 ZINC000532927112 517206416 /nfs/dbraw/zinc/20/64/16/517206416.db2.gz VCQSFUIBMDARTP-AWEZNQCLSA-N 1 2 368.462 2.963 20 30 FFEDLO CC[N@@H+](CC1=Nc2ccccc2S(=O)(=O)N1)[C@@H](C)c1ccc(C#N)cc1 ZINC000532927112 517206419 /nfs/dbraw/zinc/20/64/19/517206419.db2.gz VCQSFUIBMDARTP-AWEZNQCLSA-N 1 2 368.462 2.963 20 30 FFEDLO Cc1cccc(N2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)c1C ZINC000519907922 517238422 /nfs/dbraw/zinc/23/84/22/517238422.db2.gz RBPMZJBSKVTHJI-UHFFFAOYSA-N 1 2 362.477 2.614 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3cnc([C@H]4CCCO4)s3)CC2)n1 ZINC000545552154 517289779 /nfs/dbraw/zinc/28/97/79/517289779.db2.gz GPEFNRRXXBHYMX-MRXNPFEDSA-N 1 2 355.467 2.583 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000541958694 517310623 /nfs/dbraw/zinc/31/06/23/517310623.db2.gz RZKPVWCNDNODNM-HNNXBMFYSA-N 1 2 365.767 2.752 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2ccc(C(C)C)c(Cl)c2)c1C#N ZINC000526073234 517327396 /nfs/dbraw/zinc/32/73/96/517327396.db2.gz CVBAWGBJIRXGIP-UHFFFAOYSA-N 1 2 359.861 2.884 20 30 FFEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000526300777 517369238 /nfs/dbraw/zinc/36/92/38/517369238.db2.gz FCWNYGVNYYAWIX-HNNXBMFYSA-N 1 2 360.889 2.581 20 30 FFEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000533346982 517418664 /nfs/dbraw/zinc/41/86/64/517418664.db2.gz GQJSBQQOAYNWHY-UHFFFAOYSA-N 1 2 370.482 2.713 20 30 FFEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000533346982 517418670 /nfs/dbraw/zinc/41/86/70/517418670.db2.gz GQJSBQQOAYNWHY-UHFFFAOYSA-N 1 2 370.482 2.713 20 30 FFEDLO N#Cc1cccc(OC2CC[NH+](Cc3nnnn3Cc3ccccc3)CC2)c1 ZINC000520606683 517453631 /nfs/dbraw/zinc/45/36/31/517453631.db2.gz LAJBFDHSNYBTOZ-UHFFFAOYSA-N 1 2 374.448 2.636 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCCCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542239584 517456370 /nfs/dbraw/zinc/45/63/70/517456370.db2.gz AZOHGXIKBUTZKH-ZBFHGGJFSA-N 1 2 354.376 2.842 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)NCCCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542239584 517456375 /nfs/dbraw/zinc/45/63/75/517456375.db2.gz AZOHGXIKBUTZKH-ZBFHGGJFSA-N 1 2 354.376 2.842 20 30 FFEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3nnc(C4CC4)o3)CC2)c1 ZINC000533496971 517491243 /nfs/dbraw/zinc/49/12/43/517491243.db2.gz YEBHWOFLXZYJAV-UHFFFAOYSA-N 1 2 351.410 2.669 20 30 FFEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000515935257 517516701 /nfs/dbraw/zinc/51/67/01/517516701.db2.gz ZBAWWYBEBOPSPK-FQEVSTJZSA-N 1 2 362.433 2.968 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCOCC3(CCC3)C2)cc1 ZINC000546103737 517546862 /nfs/dbraw/zinc/54/68/62/517546862.db2.gz JEVOXNQHAOCTID-UHFFFAOYSA-N 1 2 371.481 2.834 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCOCC3(CCC3)C2)cc1 ZINC000546103737 517546869 /nfs/dbraw/zinc/54/68/69/517546869.db2.gz JEVOXNQHAOCTID-UHFFFAOYSA-N 1 2 371.481 2.834 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1=O ZINC000549672674 517655117 /nfs/dbraw/zinc/65/51/17/517655117.db2.gz QKSDKTMWWDYESL-CQSZACIVSA-N 1 2 357.332 2.832 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1=O ZINC000549672674 517655123 /nfs/dbraw/zinc/65/51/23/517655123.db2.gz QKSDKTMWWDYESL-CQSZACIVSA-N 1 2 357.332 2.832 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(Cl)c1 ZINC000527377716 517666166 /nfs/dbraw/zinc/66/61/66/517666166.db2.gz KICDCTOCPDAODC-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H](CC(C)C)c2ccccc2)c1C#N ZINC000534056664 517723839 /nfs/dbraw/zinc/72/38/39/517723839.db2.gz DFSPLFIWHHYFHT-MRXNPFEDSA-N 1 2 353.470 2.624 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)NCc1ccc(C#N)s1)C2 ZINC000516560717 517742676 /nfs/dbraw/zinc/74/26/76/517742676.db2.gz SIJHPRGKXLYPCZ-GFCCVEGCSA-N 1 2 357.483 2.928 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000563219872 517747960 /nfs/dbraw/zinc/74/79/60/517747960.db2.gz AJJAVMRTHPXSFF-INIZCTEOSA-N 1 2 366.252 2.753 20 30 FFEDLO C[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1nc(C(F)(F)F)cs1 ZINC000516571302 517748446 /nfs/dbraw/zinc/74/84/46/517748446.db2.gz RVHJZJYLRBNTBJ-MRVPVSSYSA-N 1 2 352.345 2.927 20 30 FFEDLO Cc1nn(C)c(=O)c(-c2nc(C[NH+]3CCC(CC#N)CC3)cs2)c1C ZINC000542878217 517794137 /nfs/dbraw/zinc/79/41/37/517794137.db2.gz CTGBJAVNXBGWEA-UHFFFAOYSA-N 1 2 357.483 2.646 20 30 FFEDLO COc1cc(C#N)ccc1NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000546708948 517811078 /nfs/dbraw/zinc/81/10/78/517811078.db2.gz LWAUBAOEICJRJI-OAHLLOKOSA-N 1 2 365.437 2.873 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)Cc1cccc(C#N)c1 ZINC000521714472 517838455 /nfs/dbraw/zinc/83/84/55/517838455.db2.gz IPWIYWOXPKVRCA-VQIMIIECSA-N 1 2 368.481 2.951 20 30 FFEDLO C=CC[N@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)Cc1cccc(C#N)c1 ZINC000521714472 517838465 /nfs/dbraw/zinc/83/84/65/517838465.db2.gz IPWIYWOXPKVRCA-VQIMIIECSA-N 1 2 368.481 2.951 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)NCc2cn3ccccc3[nH+]2)CCCC1(C)C ZINC000550076320 517851040 /nfs/dbraw/zinc/85/10/40/517851040.db2.gz NWZOFYKUKVKUGD-INIZCTEOSA-N 1 2 354.454 2.544 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000542990728 517857962 /nfs/dbraw/zinc/85/79/62/517857962.db2.gz WDAWPLAMUGDYOS-HNNXBMFYSA-N 1 2 359.495 2.989 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCOCC2(CC2)C1 ZINC000542990728 517857970 /nfs/dbraw/zinc/85/79/70/517857970.db2.gz WDAWPLAMUGDYOS-HNNXBMFYSA-N 1 2 359.495 2.989 20 30 FFEDLO C=C(CC)CSc1nnc([C@@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000539118301 517922855 /nfs/dbraw/zinc/92/28/55/517922855.db2.gz YBQIJMMIUDJNTE-MRXNPFEDSA-N 1 2 367.563 2.681 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000516953474 517936889 /nfs/dbraw/zinc/93/68/89/517936889.db2.gz FUYMEEPQKHYGAV-IKGGRYGDSA-N 1 2 358.417 2.681 20 30 FFEDLO CC[C@H](C)Oc1nccnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527827491 517939720 /nfs/dbraw/zinc/93/97/20/517939720.db2.gz BBYBAJUWOXEJNJ-INIZCTEOSA-N 1 2 351.454 2.848 20 30 FFEDLO C=C(C)COc1cc(C[NH+]2CCN(c3ncc(F)cn3)CC2)ccc1OC ZINC000546974131 517944827 /nfs/dbraw/zinc/94/48/27/517944827.db2.gz QOUUNGLFPSEBKQ-UHFFFAOYSA-N 1 2 372.444 2.901 20 30 FFEDLO C[C@@H](c1ccccc1F)N1CCC[C@H]([NH2+]Cc2nc(C#N)cs2)C1=O ZINC000550255723 517955175 /nfs/dbraw/zinc/95/51/75/517955175.db2.gz OWUQKJUNHHRRFS-LRDDRELGSA-N 1 2 358.442 2.996 20 30 FFEDLO N#Cc1cc(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)ccc1Cl ZINC000522370675 518090880 /nfs/dbraw/zinc/09/08/80/518090880.db2.gz CUDYVYUZHLVIIJ-UHFFFAOYSA-N 1 2 372.837 2.876 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000554209864 518106125 /nfs/dbraw/zinc/10/61/25/518106125.db2.gz LSNGMWJICKLZJF-GFCCVEGCSA-N 1 2 350.260 2.798 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000554209864 518106135 /nfs/dbraw/zinc/10/61/35/518106135.db2.gz LSNGMWJICKLZJF-GFCCVEGCSA-N 1 2 350.260 2.798 20 30 FFEDLO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000517377955 518133304 /nfs/dbraw/zinc/13/33/04/518133304.db2.gz YOCKAZOCVIQPRU-QGZVFWFLSA-N 1 2 350.382 2.996 20 30 FFEDLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@H]1c1cccc(F)c1 ZINC000566821577 518216885 /nfs/dbraw/zinc/21/68/85/518216885.db2.gz SJIVBVCRQMRTOV-AUUYWEPGSA-N 1 2 373.453 2.949 20 30 FFEDLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@H]1c1cccc(F)c1 ZINC000566821577 518216889 /nfs/dbraw/zinc/21/68/89/518216889.db2.gz SJIVBVCRQMRTOV-AUUYWEPGSA-N 1 2 373.453 2.949 20 30 FFEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000572939125 518428551 /nfs/dbraw/zinc/42/85/51/518428551.db2.gz KOPWEJSRLPDCKD-NRFANRHFSA-N 1 2 361.401 2.607 20 30 FFEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000572939125 518428561 /nfs/dbraw/zinc/42/85/61/518428561.db2.gz KOPWEJSRLPDCKD-NRFANRHFSA-N 1 2 361.401 2.607 20 30 FFEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1NC(=O)c1cccs1 ZINC000573005258 518462075 /nfs/dbraw/zinc/46/20/75/518462075.db2.gz JKVKHDKHCPPZEF-IBGZPJMESA-N 1 2 370.478 2.883 20 30 FFEDLO C[C@](C#N)(NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000564518670 518482846 /nfs/dbraw/zinc/48/28/46/518482846.db2.gz ZAGCSRADZPGOCV-PZJWPPBQSA-N 1 2 355.482 2.866 20 30 FFEDLO C[C@](C#N)(NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000564518670 518482851 /nfs/dbraw/zinc/48/28/51/518482851.db2.gz ZAGCSRADZPGOCV-PZJWPPBQSA-N 1 2 355.482 2.866 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)c(C(F)(F)F)c1 ZINC000564705152 518571864 /nfs/dbraw/zinc/57/18/64/518571864.db2.gz FETBEKNDRFVQGZ-INIZCTEOSA-N 1 2 372.412 2.978 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)c(C(F)(F)F)c1 ZINC000564705152 518571868 /nfs/dbraw/zinc/57/18/68/518571868.db2.gz FETBEKNDRFVQGZ-INIZCTEOSA-N 1 2 372.412 2.978 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)c(C(F)(F)F)c1 ZINC000564705153 518572205 /nfs/dbraw/zinc/57/22/05/518572205.db2.gz FETBEKNDRFVQGZ-MRXNPFEDSA-N 1 2 372.412 2.978 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)c(C(F)(F)F)c1 ZINC000564705153 518572210 /nfs/dbraw/zinc/57/22/10/518572210.db2.gz FETBEKNDRFVQGZ-MRXNPFEDSA-N 1 2 372.412 2.978 20 30 FFEDLO CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)c1ncc2c(c1C#N)CCC2 ZINC000570445727 518609761 /nfs/dbraw/zinc/60/97/61/518609761.db2.gz RKQGCLPMKQGQEZ-SFTDATJTSA-N 1 2 362.477 2.950 20 30 FFEDLO CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)c1ncc2c(c1C#N)CCC2 ZINC000570445727 518609765 /nfs/dbraw/zinc/60/97/65/518609765.db2.gz RKQGCLPMKQGQEZ-SFTDATJTSA-N 1 2 362.477 2.950 20 30 FFEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C/C=C/c2ccc(Cl)cc2)c1=O ZINC000579376925 518653142 /nfs/dbraw/zinc/65/31/42/518653142.db2.gz GHGFOGDXKXIEEK-OWOJBTEDSA-N 1 2 369.852 2.919 20 30 FFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000587971359 518688399 /nfs/dbraw/zinc/68/83/99/518688399.db2.gz BXIDIUNZADYLOG-DGCLKSJQSA-N 1 2 368.264 2.800 20 30 FFEDLO Cc1cc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)cc(C#N)n1 ZINC000587977121 518690494 /nfs/dbraw/zinc/69/04/94/518690494.db2.gz FFZHLQZGIYNMIT-IBGZPJMESA-N 1 2 356.857 2.771 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H](C)[S@@]1=O ZINC000582328377 518697893 /nfs/dbraw/zinc/69/78/93/518697893.db2.gz WNKUROABZHTUKT-WHFJQLBOSA-N 1 2 371.510 2.590 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H](C)[S@@]1=O ZINC000582328377 518697901 /nfs/dbraw/zinc/69/79/01/518697901.db2.gz WNKUROABZHTUKT-WHFJQLBOSA-N 1 2 371.510 2.590 20 30 FFEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000567783828 518708099 /nfs/dbraw/zinc/70/80/99/518708099.db2.gz RIPXSBRJRZDOQZ-IAGOWNOFSA-N 1 2 363.889 2.626 20 30 FFEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000567783828 518708102 /nfs/dbraw/zinc/70/81/02/518708102.db2.gz RIPXSBRJRZDOQZ-IAGOWNOFSA-N 1 2 363.889 2.626 20 30 FFEDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(C#N)cc1 ZINC000579520499 518719880 /nfs/dbraw/zinc/71/98/80/518719880.db2.gz HHKCMXFBAZPSPZ-UHFFFAOYSA-N 1 2 368.462 2.509 20 30 FFEDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(C#N)cc1 ZINC000579520499 518719885 /nfs/dbraw/zinc/71/98/85/518719885.db2.gz HHKCMXFBAZPSPZ-UHFFFAOYSA-N 1 2 368.462 2.509 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000565052503 518763139 /nfs/dbraw/zinc/76/31/39/518763139.db2.gz ZFQSZUCXAPXHDC-OAQYLSRUSA-N 1 2 362.433 2.711 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cnccc2C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000582553163 518810575 /nfs/dbraw/zinc/81/05/75/518810575.db2.gz MATXRRDMKZKPTA-WMZOPIPTSA-N 1 2 374.366 2.936 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)c2cnccc2C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000582553163 518810580 /nfs/dbraw/zinc/81/05/80/518810580.db2.gz MATXRRDMKZKPTA-WMZOPIPTSA-N 1 2 374.366 2.936 20 30 FFEDLO N#Cc1csc(CN2CC[NH+](CCOc3ccccc3Cl)CC2)n1 ZINC000568148526 518894959 /nfs/dbraw/zinc/89/49/59/518894959.db2.gz AAYCLTYAKMSJBN-UHFFFAOYSA-N 1 2 362.886 2.865 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000565368995 518920764 /nfs/dbraw/zinc/92/07/64/518920764.db2.gz WEQVGTRQGZXWPO-MRXNPFEDSA-N 1 2 350.875 2.842 20 30 FFEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000565370698 518920787 /nfs/dbraw/zinc/92/07/87/518920787.db2.gz KBOBMFKSHVBHDH-OXQOHEQNSA-N 1 2 359.470 2.943 20 30 FFEDLO N#Cc1ccc(C2(c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)CC2)cc1 ZINC000582872584 518962312 /nfs/dbraw/zinc/96/23/12/518962312.db2.gz GIVFSFLPXOXSLY-IAGOWNOFSA-N 1 2 350.422 2.947 20 30 FFEDLO N#Cc1ccc(C2(c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)CC2)cc1 ZINC000582872584 518962318 /nfs/dbraw/zinc/96/23/18/518962318.db2.gz GIVFSFLPXOXSLY-IAGOWNOFSA-N 1 2 350.422 2.947 20 30 FFEDLO Cc1nc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)ccc1C#N ZINC000589863346 519094486 /nfs/dbraw/zinc/09/44/86/519094486.db2.gz UYSMDJUSHNRLQW-GOSISDBHSA-N 1 2 356.857 2.771 20 30 FFEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)NC[C@@H]1CCCN(CC#N)C1 ZINC000571450310 519101904 /nfs/dbraw/zinc/10/19/04/519101904.db2.gz CDGAVKSGPWXKFB-KRWDZBQOSA-N 1 2 367.497 2.731 20 30 FFEDLO N#Cc1cccc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000574348748 519112347 /nfs/dbraw/zinc/11/23/47/519112347.db2.gz GHKSSQFPLZLJGW-UHFFFAOYSA-N 1 2 361.361 2.625 20 30 FFEDLO COc1cc2c(c(C[NH+]3CCN(c4cnccc4C#N)CC3)c1)O[C@H](C)C2 ZINC000583358488 519204367 /nfs/dbraw/zinc/20/43/67/519204367.db2.gz MLYFCCSIMAOOJJ-OAHLLOKOSA-N 1 2 364.449 2.607 20 30 FFEDLO Cc1c(NCc2c[nH+]c3ccc(C#N)cn23)cccc1N1C(=O)N[C@@H](C)C1=O ZINC000574552237 519213246 /nfs/dbraw/zinc/21/32/46/519213246.db2.gz YIEMLKRHQRYCKH-ZDUSSCGKSA-N 1 2 374.404 2.571 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000590464500 519241450 /nfs/dbraw/zinc/24/14/50/519241450.db2.gz OMEGHLGVEAUMDB-RTBURBONSA-N 1 2 360.498 2.717 20 30 FFEDLO C[C@@H]1CN(CC[N@H+](C)Cc2ccc(Br)cc2C#N)C[C@H](C)O1 ZINC000574744966 519310522 /nfs/dbraw/zinc/31/05/22/519310522.db2.gz PIVAZVZXTHGHGM-OKILXGFUSA-N 1 2 366.303 2.862 20 30 FFEDLO C[C@@H]1CN(CC[N@@H+](C)Cc2ccc(Br)cc2C#N)C[C@H](C)O1 ZINC000574744966 519310529 /nfs/dbraw/zinc/31/05/29/519310529.db2.gz PIVAZVZXTHGHGM-OKILXGFUSA-N 1 2 366.303 2.862 20 30 FFEDLO CSCC[C@](C)(C#N)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000571917008 519346410 /nfs/dbraw/zinc/34/64/10/519346410.db2.gz FWIHCRUPLDDXNI-MRXNPFEDSA-N 1 2 352.410 2.775 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2cccc(Cl)c2C#N)CC1(C)C ZINC000590759294 519353957 /nfs/dbraw/zinc/35/39/57/519353957.db2.gz XPJIHGLDYYJWAC-AWEZNQCLSA-N 1 2 364.858 2.717 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1C#N ZINC000590762772 519355977 /nfs/dbraw/zinc/35/59/77/519355977.db2.gz UZKZZIHITXRZSJ-CXAGYDPISA-N 1 2 364.371 2.798 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1C#N ZINC000590762772 519355988 /nfs/dbraw/zinc/35/59/88/519355988.db2.gz UZKZZIHITXRZSJ-CXAGYDPISA-N 1 2 364.371 2.798 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000578016687 519373730 /nfs/dbraw/zinc/37/37/30/519373730.db2.gz HQCMHNUHMMQAEH-WWGRRREGSA-N 1 2 355.360 2.649 20 30 FFEDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(CC#N)cc2Cl)c2[nH+]ccn21 ZINC000574958063 519421426 /nfs/dbraw/zinc/42/14/26/519421426.db2.gz UNGYTHSIQIHZSH-ZWNOBZJWSA-N 1 2 350.831 2.587 20 30 FFEDLO COc1ccc(-c2ccc(C)c(NC[C@H](O)C[N@H+](C)CCC#N)c2)cn1 ZINC000566556213 519549347 /nfs/dbraw/zinc/54/93/47/519549347.db2.gz GFOXMLMCGNMNPJ-SFHVURJKSA-N 1 2 354.454 2.684 20 30 FFEDLO COc1ccc(-c2ccc(C)c(NC[C@H](O)C[N@@H+](C)CCC#N)c2)cn1 ZINC000566556213 519549351 /nfs/dbraw/zinc/54/93/51/519549351.db2.gz GFOXMLMCGNMNPJ-SFHVURJKSA-N 1 2 354.454 2.684 20 30 FFEDLO COc1ccc(C(=O)CC[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1 ZINC000581281211 519611877 /nfs/dbraw/zinc/61/18/77/519611877.db2.gz PJMRHQSPJIFSDV-UHFFFAOYSA-N 1 2 370.478 2.727 20 30 FFEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)NCC2(C#N)CCC2)CC1 ZINC000591411774 519619314 /nfs/dbraw/zinc/61/93/14/519619314.db2.gz OFISKRATUUJFHH-UHFFFAOYSA-N 1 2 356.470 2.525 20 30 FFEDLO COC(=O)c1ccc(-c2nc(C[NH+]3C[C@H](C)N(CC#N)[C@@H](C)C3)co2)cc1 ZINC000602853899 519926555 /nfs/dbraw/zinc/92/65/55/519926555.db2.gz MQFUPKZYKCEFGA-GJZGRUSLSA-N 1 2 368.437 2.546 20 30 FFEDLO Cc1cc(F)ccc1N1CCC[C@@H]([N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1=O ZINC000602859134 519930880 /nfs/dbraw/zinc/93/08/80/519930880.db2.gz WNCUTILXFGWXQC-JTDSTZFVSA-N 1 2 358.461 2.548 20 30 FFEDLO Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1=O ZINC000602859134 519930885 /nfs/dbraw/zinc/93/08/85/519930885.db2.gz WNCUTILXFGWXQC-JTDSTZFVSA-N 1 2 358.461 2.548 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858404 519932337 /nfs/dbraw/zinc/93/23/37/519932337.db2.gz AVTKSCWKRYIVSH-BBWFWOEESA-N 1 2 360.527 2.569 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858404 519932346 /nfs/dbraw/zinc/93/23/46/519932346.db2.gz AVTKSCWKRYIVSH-BBWFWOEESA-N 1 2 360.527 2.569 20 30 FFEDLO C[C@@H]1C[NH+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H](C)N1CC#N ZINC000602867259 519938696 /nfs/dbraw/zinc/93/86/96/519938696.db2.gz XRTMXWJEIQZOEK-VXGBXAGGSA-N 1 2 355.269 2.850 20 30 FFEDLO CN1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C(C)(C)C ZINC000602874735 519942172 /nfs/dbraw/zinc/94/21/72/519942172.db2.gz SQTQVFXKHIVXOE-RBUKOAKNSA-N 1 2 354.498 2.716 20 30 FFEDLO CN1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C(C)(C)C ZINC000602874735 519942180 /nfs/dbraw/zinc/94/21/80/519942180.db2.gz SQTQVFXKHIVXOE-RBUKOAKNSA-N 1 2 354.498 2.716 20 30 FFEDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)C(C)(C)CO ZINC000602881871 519946449 /nfs/dbraw/zinc/94/64/49/519946449.db2.gz LGBIQILRQNGFJQ-OAHLLOKOSA-N 1 2 364.396 2.743 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CCC=C(c3cnn(C)c3)C2)c(C#N)c1C ZINC000602883924 519947775 /nfs/dbraw/zinc/94/77/75/519947775.db2.gz SDMNQUHXATYZLT-UHFFFAOYSA-N 1 2 355.467 2.698 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CCC=C(c3cnn(C)c3)C2)c(C#N)c1C ZINC000602883924 519947780 /nfs/dbraw/zinc/94/77/80/519947780.db2.gz SDMNQUHXATYZLT-UHFFFAOYSA-N 1 2 355.467 2.698 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602885178 519949069 /nfs/dbraw/zinc/94/90/69/519949069.db2.gz COJCLBGMHSOCNR-HNNXBMFYSA-N 1 2 363.446 2.991 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602885178 519949077 /nfs/dbraw/zinc/94/90/77/519949077.db2.gz COJCLBGMHSOCNR-HNNXBMFYSA-N 1 2 363.446 2.991 20 30 FFEDLO N#Cc1csc(C[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)n1 ZINC000602889185 519951345 /nfs/dbraw/zinc/95/13/45/519951345.db2.gz XZZWEJOHXQZUQU-LBPRGKRZSA-N 1 2 365.256 2.826 20 30 FFEDLO N#Cc1csc(C[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)n1 ZINC000602889185 519951351 /nfs/dbraw/zinc/95/13/51/519951351.db2.gz XZZWEJOHXQZUQU-LBPRGKRZSA-N 1 2 365.256 2.826 20 30 FFEDLO N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000594443137 519968560 /nfs/dbraw/zinc/96/85/60/519968560.db2.gz LXMIOZKSHKVLBT-JKSUJKDBSA-N 1 2 352.442 2.546 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c(OC)c1 ZINC000602978478 520003762 /nfs/dbraw/zinc/00/37/62/520003762.db2.gz RBGDKEYTJDBTHB-IPELMVKDSA-N 1 2 371.481 2.991 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c(OC)c1 ZINC000602978478 520003769 /nfs/dbraw/zinc/00/37/69/520003769.db2.gz RBGDKEYTJDBTHB-IPELMVKDSA-N 1 2 371.481 2.991 20 30 FFEDLO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000594582113 520036934 /nfs/dbraw/zinc/03/69/34/520036934.db2.gz KKCOURDBAXJOSD-UHFFFAOYSA-N 1 2 350.469 2.657 20 30 FFEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1ccccc1OCC(=O)NCC1CC1)C2 ZINC000594610408 520054557 /nfs/dbraw/zinc/05/45/57/520054557.db2.gz DMCIKFDWPIQKBF-UHFFFAOYSA-N 1 2 361.445 2.979 20 30 FFEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccccc1OCC(=O)NCC1CC1)C2 ZINC000594610408 520054560 /nfs/dbraw/zinc/05/45/60/520054560.db2.gz DMCIKFDWPIQKBF-UHFFFAOYSA-N 1 2 361.445 2.979 20 30 FFEDLO N#CC1(Cn2cc(C[NH+]3CCN(c4ccccc4)CC3)nn2)CCCC1 ZINC000594657620 520071034 /nfs/dbraw/zinc/07/10/34/520071034.db2.gz CUWJIEMZWDVVRS-UHFFFAOYSA-N 1 2 350.470 2.684 20 30 FFEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Nc2ccnc(C#N)c2)CC1 ZINC000603140387 520102044 /nfs/dbraw/zinc/10/20/44/520102044.db2.gz SAZYQCXDTSYPRY-UHFFFAOYSA-N 1 2 365.437 2.620 20 30 FFEDLO C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)c2ccccc2C1 ZINC000592028860 520141681 /nfs/dbraw/zinc/14/16/81/520141681.db2.gz IOOXPZBZULWOCQ-UHFFFAOYSA-N 1 2 355.463 2.534 20 30 FFEDLO C[N@H+]1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)c2ccccc2C1 ZINC000592028860 520141683 /nfs/dbraw/zinc/14/16/83/520141683.db2.gz IOOXPZBZULWOCQ-UHFFFAOYSA-N 1 2 355.463 2.534 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000594768547 520146424 /nfs/dbraw/zinc/14/64/24/520146424.db2.gz VTIQSMRKBWRCIY-NEPJUHHUSA-N 1 2 363.508 2.795 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000594768547 520146428 /nfs/dbraw/zinc/14/64/28/520146428.db2.gz VTIQSMRKBWRCIY-NEPJUHHUSA-N 1 2 363.508 2.795 20 30 FFEDLO N#Cc1ccccc1-c1ccc(Cn2cc(CC[NH+]3CCOCC3)nn2)cc1 ZINC000603190776 520147219 /nfs/dbraw/zinc/14/72/19/520147219.db2.gz MMBAZRISUSITPL-UHFFFAOYSA-N 1 2 373.460 2.740 20 30 FFEDLO N#Cc1cnccc1C[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000592073275 520168205 /nfs/dbraw/zinc/16/82/05/520168205.db2.gz MDCHDZQPMPODIV-UHFFFAOYSA-N 1 2 355.829 2.852 20 30 FFEDLO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592148187 520222860 /nfs/dbraw/zinc/22/28/60/520222860.db2.gz WLZYJJYSKLIIJN-FPOVZHCZSA-N 1 2 365.433 2.725 20 30 FFEDLO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592148187 520222868 /nfs/dbraw/zinc/22/28/68/520222868.db2.gz WLZYJJYSKLIIJN-FPOVZHCZSA-N 1 2 365.433 2.725 20 30 FFEDLO CN(C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)C(c1ccccc1)c1ccccc1 ZINC000592146796 520223508 /nfs/dbraw/zinc/22/35/08/520223508.db2.gz GHRQZUJNPSMKRH-JOCHJYFZSA-N 1 2 363.461 2.585 20 30 FFEDLO CN(C(=O)C[N@H+]1CC[C@](O)(CC#N)C1)C(c1ccccc1)c1ccccc1 ZINC000592146796 520223521 /nfs/dbraw/zinc/22/35/21/520223521.db2.gz GHRQZUJNPSMKRH-JOCHJYFZSA-N 1 2 363.461 2.585 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000592148842 520225754 /nfs/dbraw/zinc/22/57/54/520225754.db2.gz CVGSJAQEXTYWPT-AWEZNQCLSA-N 1 2 361.751 2.648 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000592148842 520225755 /nfs/dbraw/zinc/22/57/55/520225755.db2.gz CVGSJAQEXTYWPT-AWEZNQCLSA-N 1 2 361.751 2.648 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000592149498 520226454 /nfs/dbraw/zinc/22/64/54/520226454.db2.gz QCZASZJBATUYRT-LEWJYISDSA-N 1 2 355.482 2.775 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000592149498 520226468 /nfs/dbraw/zinc/22/64/68/520226468.db2.gz QCZASZJBATUYRT-LEWJYISDSA-N 1 2 355.482 2.775 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000609193250 520226787 /nfs/dbraw/zinc/22/67/87/520226787.db2.gz WBZVTSUJZJOUJS-VWLOTQADSA-N 1 2 357.454 2.627 20 30 FFEDLO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCCC2)C(=O)Nc1ccccc1C#N ZINC000613062692 520296571 /nfs/dbraw/zinc/29/65/71/520296571.db2.gz QUEHOZKIVSDLIB-ZIAGYGMSSA-N 1 2 352.442 2.554 20 30 FFEDLO N#CC[C@H]1CCCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000597911191 520318540 /nfs/dbraw/zinc/31/85/40/520318540.db2.gz HRUXSHCTOQPHEM-MRXNPFEDSA-N 1 2 365.437 2.678 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)Nc2cccc3ncccc32)CC1 ZINC000609485958 520328317 /nfs/dbraw/zinc/32/83/17/520328317.db2.gz AQXAFHGVCZWLEC-OXQOHEQNSA-N 1 2 365.481 2.728 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000609485993 520328800 /nfs/dbraw/zinc/32/88/00/520328800.db2.gz BJNPAASLFQQUCA-MAUKXSAKSA-N 1 2 362.905 2.510 20 30 FFEDLO CCC[C@@H](NC(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1)c1ccccc1 ZINC000609537527 520348268 /nfs/dbraw/zinc/34/82/68/520348268.db2.gz AFQKJNBESSFTSP-UXHICEINSA-N 1 2 356.514 2.810 20 30 FFEDLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CCN([C@@H](C#N)C(C)C)CC2)cc1 ZINC000609538992 520349466 /nfs/dbraw/zinc/34/94/66/520349466.db2.gz POBVAHMLUWEGBN-WFXMLNOXSA-N 1 2 370.541 2.980 20 30 FFEDLO N#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1c(Cl)cccc1Cl ZINC000609589248 520367828 /nfs/dbraw/zinc/36/78/28/520367828.db2.gz HESZGAQUASXKDP-CYBMUJFWSA-N 1 2 373.203 2.964 20 30 FFEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000598000725 520369611 /nfs/dbraw/zinc/36/96/11/520369611.db2.gz ZHZKECBSSCVSMV-SJORKVTESA-N 1 2 368.481 2.784 20 30 FFEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000598000725 520369618 /nfs/dbraw/zinc/36/96/18/520369618.db2.gz ZHZKECBSSCVSMV-SJORKVTESA-N 1 2 368.481 2.784 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000603905520 520400333 /nfs/dbraw/zinc/40/03/33/520400333.db2.gz HFUFGDKVSHDASO-IYBDPMFKSA-N 1 2 352.463 2.626 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000603905520 520400337 /nfs/dbraw/zinc/40/03/37/520400337.db2.gz HFUFGDKVSHDASO-IYBDPMFKSA-N 1 2 352.463 2.626 20 30 FFEDLO N#Cc1cc(C[N@H+](CCO)Cc2cc(Br)cs2)ccn1 ZINC000617259249 520401391 /nfs/dbraw/zinc/40/13/91/520401391.db2.gz BOTSTYDQPOPAFP-UHFFFAOYSA-N 1 2 352.257 2.772 20 30 FFEDLO N#Cc1cc(C[N@@H+](CCO)Cc2cc(Br)cs2)ccn1 ZINC000617259249 520401396 /nfs/dbraw/zinc/40/13/96/520401396.db2.gz BOTSTYDQPOPAFP-UHFFFAOYSA-N 1 2 352.257 2.772 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](C)[C@@H](C)CC#N)c1CN(C)[C@@H](C)CC#N ZINC000595342912 520419425 /nfs/dbraw/zinc/41/94/25/520419425.db2.gz CFYFQECHWMWUPW-HOTGVXAUSA-N 1 2 356.470 2.941 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)CC#N)c1CN(C)[C@@H](C)CC#N ZINC000595342912 520419434 /nfs/dbraw/zinc/41/94/34/520419434.db2.gz CFYFQECHWMWUPW-HOTGVXAUSA-N 1 2 356.470 2.941 20 30 FFEDLO C=CCCSCCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000595444408 520473556 /nfs/dbraw/zinc/47/35/56/520473556.db2.gz YMWBLDZLMOZWKZ-SFHVURJKSA-N 1 2 363.527 2.668 20 30 FFEDLO C=CCN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)[C@H](C)COC ZINC000617576994 520587810 /nfs/dbraw/zinc/58/78/10/520587810.db2.gz FQSAMULKDBKULM-MRXNPFEDSA-N 1 2 370.453 2.575 20 30 FFEDLO COc1cc(OC)c(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)cc1Cl ZINC000595613969 520595260 /nfs/dbraw/zinc/59/52/60/520595260.db2.gz GLTWPEJEQIZPIZ-GFCCVEGCSA-N 1 2 351.834 2.921 20 30 FFEDLO COc1cc(OC)c(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)cc1Cl ZINC000595613969 520595267 /nfs/dbraw/zinc/59/52/67/520595267.db2.gz GLTWPEJEQIZPIZ-GFCCVEGCSA-N 1 2 351.834 2.921 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595618333 520597737 /nfs/dbraw/zinc/59/77/37/520597737.db2.gz NSARNHGIZVTJAB-IERDGZPVSA-N 1 2 371.481 2.831 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595618333 520597742 /nfs/dbraw/zinc/59/77/42/520597742.db2.gz NSARNHGIZVTJAB-IERDGZPVSA-N 1 2 371.481 2.831 20 30 FFEDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)n(-c2ccccc2F)n1 ZINC000595620307 520598749 /nfs/dbraw/zinc/59/87/49/520598749.db2.gz LQQJNFXKWNGVHH-OAHLLOKOSA-N 1 2 355.417 2.884 20 30 FFEDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)n(-c2ccccc2F)n1 ZINC000595620307 520598755 /nfs/dbraw/zinc/59/87/55/520598755.db2.gz LQQJNFXKWNGVHH-OAHLLOKOSA-N 1 2 355.417 2.884 20 30 FFEDLO Cc1cn2ccc(NC(=O)CCc3c(C)nn(CCC#N)c3C)cc2[nH+]1 ZINC000598468000 520631528 /nfs/dbraw/zinc/63/15/28/520631528.db2.gz CPAYFXXUQFXQLJ-UHFFFAOYSA-N 1 2 350.426 2.941 20 30 FFEDLO Cc1cncc(CC[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)n1 ZINC000593029264 520693173 /nfs/dbraw/zinc/69/31/73/520693173.db2.gz QNXATIGKXRYHRT-LJQANCHMSA-N 1 2 355.873 2.863 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000593051881 520709435 /nfs/dbraw/zinc/70/94/35/520709435.db2.gz QNGDLYAFMFMABJ-CQSZACIVSA-N 1 2 353.422 2.705 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000593051881 520709442 /nfs/dbraw/zinc/70/94/42/520709442.db2.gz QNGDLYAFMFMABJ-CQSZACIVSA-N 1 2 353.422 2.705 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000593051880 520710043 /nfs/dbraw/zinc/71/00/43/520710043.db2.gz QNGDLYAFMFMABJ-AWEZNQCLSA-N 1 2 353.422 2.705 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000593051880 520710052 /nfs/dbraw/zinc/71/00/52/520710052.db2.gz QNGDLYAFMFMABJ-AWEZNQCLSA-N 1 2 353.422 2.705 20 30 FFEDLO N#C[C@@H]1CCC[C@H]1NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000610496659 520716012 /nfs/dbraw/zinc/71/60/12/520716012.db2.gz IILPKRNOIICABX-DLBZAZTESA-N 1 2 364.449 2.965 20 30 FFEDLO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)c1nnc2n1CCCCC2 ZINC000595803447 520737253 /nfs/dbraw/zinc/73/72/53/520737253.db2.gz LYLWEPUTCCXDSR-ZBFHGGJFSA-N 1 2 366.469 2.944 20 30 FFEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000598610412 520742658 /nfs/dbraw/zinc/74/26/58/520742658.db2.gz BENYFDUITNKKOI-CYBMUJFWSA-N 1 2 353.260 2.944 20 30 FFEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCOc2c(Br)cccc2C1 ZINC000598610412 520742663 /nfs/dbraw/zinc/74/26/63/520742663.db2.gz BENYFDUITNKKOI-CYBMUJFWSA-N 1 2 353.260 2.944 20 30 FFEDLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595835202 520757729 /nfs/dbraw/zinc/75/77/29/520757729.db2.gz PNQNVTIBXLPASP-PXNSSMCTSA-N 1 2 357.454 2.603 20 30 FFEDLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595835202 520757735 /nfs/dbraw/zinc/75/77/35/520757735.db2.gz PNQNVTIBXLPASP-PXNSSMCTSA-N 1 2 357.454 2.603 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000610604325 520761836 /nfs/dbraw/zinc/76/18/36/520761836.db2.gz RMBCVPLZCGRLMF-PLACYPQZSA-N 1 2 367.493 2.928 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000610604325 520761849 /nfs/dbraw/zinc/76/18/49/520761849.db2.gz RMBCVPLZCGRLMF-PLACYPQZSA-N 1 2 367.493 2.928 20 30 FFEDLO Cc1nc2ccccn2c1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000610728562 520818968 /nfs/dbraw/zinc/81/89/68/520818968.db2.gz ZYHGGSHHFPHDPQ-UHFFFAOYSA-N 1 2 362.437 2.702 20 30 FFEDLO N#CC1(Cc2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)CCOCC1 ZINC000596045519 520875456 /nfs/dbraw/zinc/87/54/56/520875456.db2.gz DNMKFFOPQJASEF-KRWDZBQOSA-N 1 2 368.437 2.506 20 30 FFEDLO N#CC1(Cc2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)CCOCC1 ZINC000596045519 520875467 /nfs/dbraw/zinc/87/54/67/520875467.db2.gz DNMKFFOPQJASEF-KRWDZBQOSA-N 1 2 368.437 2.506 20 30 FFEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000614263455 520882642 /nfs/dbraw/zinc/88/26/42/520882642.db2.gz BZUYCDKEILZAHA-IBGZPJMESA-N 1 2 368.481 2.979 20 30 FFEDLO CC(C)(C#N)c1ccc(C(=O)N2CCc3[nH]c[nH+]c3C23CCOCC3)cc1 ZINC000601652911 520886391 /nfs/dbraw/zinc/88/63/91/520886391.db2.gz KRIXBXNZJJSLLV-UHFFFAOYSA-N 1 2 364.449 2.915 20 30 FFEDLO C[C@H]1CN(c2ccc(CNc3nc4ncccc4cc3C#N)c[nH+]2)CCO1 ZINC000596075308 520897978 /nfs/dbraw/zinc/89/79/78/520897978.db2.gz GYQDKAVRQQVMMS-AWEZNQCLSA-N 1 2 360.421 2.734 20 30 FFEDLO Cc1nc(C2([NH2+]C[C@H](O)COc3ccc(CC#N)cc3)CCCCC2)no1 ZINC000610967378 520923054 /nfs/dbraw/zinc/92/30/54/520923054.db2.gz IIMHOWKWRIFMFY-KRWDZBQOSA-N 1 2 370.453 2.633 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1Cc2ccccc2NC(=O)[C@@H]1C ZINC000598947484 520936431 /nfs/dbraw/zinc/93/64/31/520936431.db2.gz BVMUAWCDOXSWPZ-AWEZNQCLSA-N 1 2 351.406 2.788 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1Cc2ccccc2NC(=O)[C@@H]1C ZINC000598947484 520936439 /nfs/dbraw/zinc/93/64/39/520936439.db2.gz BVMUAWCDOXSWPZ-AWEZNQCLSA-N 1 2 351.406 2.788 20 30 FFEDLO CCOC(=O)c1cnc(N2CC[NH+](Cc3ccc(C#N)cc3C)CC2)s1 ZINC000614402269 520947806 /nfs/dbraw/zinc/94/78/06/520947806.db2.gz PVJDKFIFGFTPCJ-UHFFFAOYSA-N 1 2 370.478 2.822 20 30 FFEDLO Cc1cccn2cc(CCNS(=O)(=O)c3cccc(Cl)c3C#N)[nH+]c12 ZINC000611024623 520952667 /nfs/dbraw/zinc/95/26/67/520952667.db2.gz DLOFUSSXCQZASP-UHFFFAOYSA-N 1 2 374.853 2.689 20 30 FFEDLO COc1c[nH+]c(N2CCC[C@H](CC#N)C2)nc1N1CCC[C@H](CC#N)C1 ZINC000596330236 521030427 /nfs/dbraw/zinc/03/04/27/521030427.db2.gz RKJUBUFKNULLSM-HZPDHXFCSA-N 1 2 354.458 2.745 20 30 FFEDLO N#Cc1sccc1N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000596352139 521037989 /nfs/dbraw/zinc/03/79/89/521037989.db2.gz CWYCGUGEAWUHPD-UHFFFAOYSA-N 1 2 354.483 2.727 20 30 FFEDLO N#Cc1sccc1N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000596352139 521038002 /nfs/dbraw/zinc/03/80/02/521038002.db2.gz CWYCGUGEAWUHPD-UHFFFAOYSA-N 1 2 354.483 2.727 20 30 FFEDLO N#Cc1ccc(-c2cc(N3CCN(c4cc[nH+]c(C5CC5)n4)CC3)n[nH]2)cc1 ZINC000596452845 521078980 /nfs/dbraw/zinc/07/89/80/521078980.db2.gz HBXGPLBICRZKCN-UHFFFAOYSA-N 1 2 371.448 2.942 20 30 FFEDLO C=CCc1cc(C[NH2+]Cc2n[nH]cc2Br)cc(OC)c1O ZINC000606470306 521079790 /nfs/dbraw/zinc/07/97/90/521079790.db2.gz FQLPXMSCYJPGII-UHFFFAOYSA-N 1 2 352.232 2.905 20 30 FFEDLO C[C@H]1CN(S(=O)(=O)c2ccsc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000593608826 521105054 /nfs/dbraw/zinc/10/50/54/521105054.db2.gz RJETVTLDYXBTAS-AWEZNQCLSA-N 1 2 361.492 2.515 20 30 FFEDLO C[C@H]1CN(S(=O)(=O)c2ccsc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000593608826 521105059 /nfs/dbraw/zinc/10/50/59/521105059.db2.gz RJETVTLDYXBTAS-AWEZNQCLSA-N 1 2 361.492 2.515 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1C#N ZINC000611347104 521111518 /nfs/dbraw/zinc/11/15/18/521111518.db2.gz HJSATZDJHIIANJ-RDJZCZTQSA-N 1 2 364.371 2.940 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1C#N ZINC000611347104 521111526 /nfs/dbraw/zinc/11/15/26/521111526.db2.gz HJSATZDJHIIANJ-RDJZCZTQSA-N 1 2 364.371 2.940 20 30 FFEDLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)C[C@@H](O)COc1ccccc1C#N ZINC000599257731 521112955 /nfs/dbraw/zinc/11/29/55/521112955.db2.gz NZKXPAVJUDROEY-QGZVFWFLSA-N 1 2 373.840 2.522 20 30 FFEDLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)C[C@@H](O)COc1ccccc1C#N ZINC000599257731 521112961 /nfs/dbraw/zinc/11/29/61/521112961.db2.gz NZKXPAVJUDROEY-QGZVFWFLSA-N 1 2 373.840 2.522 20 30 FFEDLO CN(C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602074272 521127270 /nfs/dbraw/zinc/12/72/70/521127270.db2.gz HWUWSVQXPGXEAP-KBXCAEBGSA-N 1 2 364.405 2.963 20 30 FFEDLO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1noc(-c2ccccc2)n1 ZINC000599361353 521174664 /nfs/dbraw/zinc/17/46/64/521174664.db2.gz CUMSIAPZJMVFSK-PBHICJAKSA-N 1 2 364.405 2.699 20 30 FFEDLO CC(C)C[C@@H](C(=O)N1CCN(c2ccsc2C#N)CC1)n1cc[nH+]c1 ZINC000602178597 521191278 /nfs/dbraw/zinc/19/12/78/521191278.db2.gz OIQIHPVPEOHDIK-INIZCTEOSA-N 1 2 357.483 2.752 20 30 FFEDLO Cc1cccn2cc(CCNS(=O)(=O)c3ccc(C#N)cc3Cl)[nH+]c12 ZINC000611539627 521209410 /nfs/dbraw/zinc/20/94/10/521209410.db2.gz XJSWVPCDHQQQDP-UHFFFAOYSA-N 1 2 374.853 2.689 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c(C)o1 ZINC000611550736 521214467 /nfs/dbraw/zinc/21/44/67/521214467.db2.gz IYVCVIYEEKUAMI-SFHVURJKSA-N 1 2 371.412 2.896 20 30 FFEDLO CCOC(=O)[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)C1CCCCCC1 ZINC000599454390 521237697 /nfs/dbraw/zinc/23/76/97/521237697.db2.gz MNIWVYXROVPOFX-MSOLQXFVSA-N 1 2 366.502 2.549 20 30 FFEDLO CC(C)(O)C[NH+]1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000618897834 521283139 /nfs/dbraw/zinc/28/31/39/521283139.db2.gz KRCKWAMFZCYHCP-UHFFFAOYSA-N 1 2 372.694 2.867 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(-c2cccc(Cl)c2F)no1 ZINC000602336066 521287272 /nfs/dbraw/zinc/28/72/72/521287272.db2.gz XKKQFJPDXQOEAG-MRXNPFEDSA-N 1 2 350.781 2.708 20 30 FFEDLO N#CC1(CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCCC1 ZINC000602338284 521288283 /nfs/dbraw/zinc/28/82/83/521288283.db2.gz SOHACBZVUWCEOQ-UHFFFAOYSA-N 1 2 359.499 2.518 20 30 FFEDLO COC(=O)[C@@]1([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CCCC(C)(C)C1 ZINC000599559865 521299372 /nfs/dbraw/zinc/29/93/72/521299372.db2.gz XITLTBKMKRNFSO-DYESRHJHSA-N 1 2 374.481 2.594 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c(C#N)c1C ZINC000593997487 521339340 /nfs/dbraw/zinc/33/93/40/521339340.db2.gz KBDZZJYVUCJFSI-GUYCJALGSA-N 1 2 369.469 2.954 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c(C#N)c1C ZINC000593997487 521339351 /nfs/dbraw/zinc/33/93/51/521339351.db2.gz KBDZZJYVUCJFSI-GUYCJALGSA-N 1 2 369.469 2.954 20 30 FFEDLO COCCc1ncc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000602436630 521345233 /nfs/dbraw/zinc/34/52/33/521345233.db2.gz YJOKHDMOOJLSHT-UHFFFAOYSA-N 1 2 356.495 2.521 20 30 FFEDLO COCCc1ncc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000602436630 521345237 /nfs/dbraw/zinc/34/52/37/521345237.db2.gz YJOKHDMOOJLSHT-UHFFFAOYSA-N 1 2 356.495 2.521 20 30 FFEDLO COCc1cccc(CNC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599678653 521394365 /nfs/dbraw/zinc/39/43/65/521394365.db2.gz KMJZHNBNLIEBOV-UHFFFAOYSA-N 1 2 363.461 2.574 20 30 FFEDLO COCc1cccc(CNC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599678653 521394378 /nfs/dbraw/zinc/39/43/78/521394378.db2.gz KMJZHNBNLIEBOV-UHFFFAOYSA-N 1 2 363.461 2.574 20 30 FFEDLO CN(C(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1)C1(C#N)CCCCC1 ZINC000599685848 521401607 /nfs/dbraw/zinc/40/16/07/521401607.db2.gz LGSWHPKYXUCIGZ-UHFFFAOYSA-N 1 2 350.466 2.796 20 30 FFEDLO CN(C(=O)C[N@H+]1CCc2c(CC#N)cccc2C1)C1(C#N)CCCCC1 ZINC000599685848 521401611 /nfs/dbraw/zinc/40/16/11/521401611.db2.gz LGSWHPKYXUCIGZ-UHFFFAOYSA-N 1 2 350.466 2.796 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@@](F)(C#N)C1)c1ccc(Cl)cc1 ZINC000615577890 521454337 /nfs/dbraw/zinc/45/43/37/521454337.db2.gz PTQAFSIIFDUCIS-WMLDXEAASA-N 1 2 361.808 2.810 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Br)c1 ZINC000597035455 521459753 /nfs/dbraw/zinc/45/97/53/521459753.db2.gz ANDBGLXDIYCMIJ-XHDPSFHLSA-N 1 2 359.227 2.658 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(Br)c1 ZINC000597035455 521459762 /nfs/dbraw/zinc/45/97/62/521459762.db2.gz ANDBGLXDIYCMIJ-XHDPSFHLSA-N 1 2 359.227 2.658 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)N2CCC[C@](C)(C#N)C2)[NH+]2CCOCC2)c1 ZINC000612100069 521479986 /nfs/dbraw/zinc/47/99/86/521479986.db2.gz TUHAZNOOZQZJMS-PZJWPPBQSA-N 1 2 370.497 2.704 20 30 FFEDLO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)c1c(F)cccc1F ZINC000612136740 521500028 /nfs/dbraw/zinc/50/00/28/521500028.db2.gz HDZLFNFSWHWEIO-YJBOKZPZSA-N 1 2 350.413 2.903 20 30 FFEDLO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612158555 521510804 /nfs/dbraw/zinc/51/08/04/521510804.db2.gz MESJLENSABZJMN-SFHVURJKSA-N 1 2 351.397 2.872 20 30 FFEDLO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612158555 521510810 /nfs/dbraw/zinc/51/08/10/521510810.db2.gz MESJLENSABZJMN-SFHVURJKSA-N 1 2 351.397 2.872 20 30 FFEDLO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165774 521514050 /nfs/dbraw/zinc/51/40/50/521514050.db2.gz OAKDHFSXZPTRCH-FQEVSTJZSA-N 1 2 359.470 2.678 20 30 FFEDLO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165774 521514057 /nfs/dbraw/zinc/51/40/57/521514057.db2.gz OAKDHFSXZPTRCH-FQEVSTJZSA-N 1 2 359.470 2.678 20 30 FFEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCc3c(cccc3S(N)(=O)=O)C2)cc1 ZINC000602752524 521516598 /nfs/dbraw/zinc/51/65/98/521516598.db2.gz XXNHWYKTXGTUTE-UHFFFAOYSA-N 1 2 369.490 2.693 20 30 FFEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCc3c(cccc3S(N)(=O)=O)C2)cc1 ZINC000602752524 521516604 /nfs/dbraw/zinc/51/66/04/521516604.db2.gz XXNHWYKTXGTUTE-UHFFFAOYSA-N 1 2 369.490 2.693 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C2(c3ccccc3C)CCCC2)c1C#N ZINC000602776529 521525703 /nfs/dbraw/zinc/52/57/03/521525703.db2.gz QZAKQAKAAZCFPU-UHFFFAOYSA-N 1 2 365.481 2.614 20 30 FFEDLO CCCn1nccc1NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000602773482 521526379 /nfs/dbraw/zinc/52/63/79/521526379.db2.gz UMVVWBFYZXWUQV-UHFFFAOYSA-N 1 2 367.453 2.647 20 30 FFEDLO Cc1cn2ccc(NC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)cc2[nH+]1 ZINC000597129812 521527825 /nfs/dbraw/zinc/52/78/25/521527825.db2.gz PGOCOEFMVCQFOU-MRXNPFEDSA-N 1 2 362.393 2.595 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC(F)(F)F)cc1 ZINC000597183791 521563079 /nfs/dbraw/zinc/56/30/79/521563079.db2.gz KBMIZWUTCRIRST-IAQYHMDHSA-N 1 2 364.327 2.794 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(OC(F)(F)F)cc1 ZINC000597183791 521563083 /nfs/dbraw/zinc/56/30/83/521563083.db2.gz KBMIZWUTCRIRST-IAQYHMDHSA-N 1 2 364.327 2.794 20 30 FFEDLO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1 ZINC000619473533 521586224 /nfs/dbraw/zinc/58/62/24/521586224.db2.gz GOTLHEXJZVJNJI-UHFFFAOYSA-N 1 2 369.490 2.568 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2cccc(CC#N)c2)c1C ZINC000619480059 521589807 /nfs/dbraw/zinc/58/98/07/521589807.db2.gz FNSLBUFNIBKQJQ-UHFFFAOYSA-N 1 2 359.451 2.594 20 30 FFEDLO N#CCc1ccccc1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000619572123 521775634 /nfs/dbraw/zinc/77/56/34/521775634.db2.gz OKMMJRXBOGCRJP-QGZVFWFLSA-N 1 2 373.478 2.851 20 30 FFEDLO C=C[C@@H](Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1)C(=O)OC ZINC000619687038 521825839 /nfs/dbraw/zinc/82/58/39/521825839.db2.gz KMXBVECLXAPEAZ-BXUZGUMPSA-N 1 2 364.446 2.849 20 30 FFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000624326045 522610154 /nfs/dbraw/zinc/61/01/54/522610154.db2.gz FMYSFIAYOMXHAH-HSALFYBXSA-N 1 2 372.513 2.717 20 30 FFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000624326045 522610160 /nfs/dbraw/zinc/61/01/60/522610160.db2.gz FMYSFIAYOMXHAH-HSALFYBXSA-N 1 2 372.513 2.717 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2Cc3ccc(O)cc3C2)c(OC)c1 ZINC000625725302 523646091 /nfs/dbraw/zinc/64/60/91/523646091.db2.gz QDBYIWLJKVFCPI-IBGZPJMESA-N 1 2 355.434 2.885 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2Cc3ccc(O)cc3C2)c(OC)c1 ZINC000625725302 523646102 /nfs/dbraw/zinc/64/61/02/523646102.db2.gz QDBYIWLJKVFCPI-IBGZPJMESA-N 1 2 355.434 2.885 20 30 FFEDLO COc1ccc([C@@H](CNc2ccc(C#N)c(C)n2)[NH+]2CCOCC2)cc1 ZINC000487928477 561379067 /nfs/dbraw/zinc/37/90/67/561379067.db2.gz APKBQWMPMWBDIT-LJQANCHMSA-N 1 2 352.438 2.756 20 30 FFEDLO Cc1cc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)ncc1C#N ZINC000603119661 553712404 /nfs/dbraw/zinc/71/24/04/553712404.db2.gz JYPQSJPRYCYWMM-UHFFFAOYSA-N 1 2 368.466 2.532 20 30 FFEDLO CC[C@@H](Cc1ccccc1C)C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000517733938 562096605 /nfs/dbraw/zinc/09/66/05/562096605.db2.gz IVZYGHGHYYBYDH-HNNXBMFYSA-N 1 2 353.470 2.949 20 30 FFEDLO C=CCNc1ncc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)s1 ZINC000532738998 562487209 /nfs/dbraw/zinc/48/72/09/562487209.db2.gz LQIPJZSYBLPXMI-HNNXBMFYSA-N 1 2 353.451 2.994 20 30 FFEDLO C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000833550599 604925104 /nfs/dbraw/zinc/92/51/04/604925104.db2.gz PBJABTSJKKEEMO-YWZLYKJASA-N 1 2 364.449 2.894 20 30 FFEDLO CN(C)S(=O)(=O)c1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000746115158 735463974 /nfs/dbraw/zinc/46/39/74/735463974.db2.gz MSIVQZWWZXUEBA-UHFFFAOYSA-N 1 2 359.451 2.566 20 30 FFEDLO CN(C)S(=O)(=O)c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000746115158 735463979 /nfs/dbraw/zinc/46/39/79/735463979.db2.gz MSIVQZWWZXUEBA-UHFFFAOYSA-N 1 2 359.451 2.566 20 30 FFEDLO C=C(Br)CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000195213710 729532755 /nfs/dbraw/zinc/53/27/55/729532755.db2.gz LEMGSWKRESNZKG-UHFFFAOYSA-N 1 2 354.273 2.901 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924784498 738449445 /nfs/dbraw/zinc/44/94/45/738449445.db2.gz WQTCHQFBWQGGCJ-CYBMUJFWSA-N 1 2 357.483 2.979 20 30 FFEDLO CCN(CC(F)(F)F)C(=O)C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000639719432 730097212 /nfs/dbraw/zinc/09/72/12/730097212.db2.gz FZNLSCIHDZATIV-UHFFFAOYSA-N 1 2 350.278 2.764 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000779392626 738461892 /nfs/dbraw/zinc/46/18/92/738461892.db2.gz NQGVJJWGFLKTSH-NUEKZKHPSA-N 1 2 365.861 2.722 20 30 FFEDLO CC1=C(Br)C[N@H+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000859289982 730448751 /nfs/dbraw/zinc/44/87/51/730448751.db2.gz IUWWCASQDRGIKD-AWEZNQCLSA-N 1 2 351.244 2.673 20 30 FFEDLO CC1=C(Br)C[N@@H+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000859289982 730448752 /nfs/dbraw/zinc/44/87/52/730448752.db2.gz IUWWCASQDRGIKD-AWEZNQCLSA-N 1 2 351.244 2.673 20 30 FFEDLO C=C[C@@H](O)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000646639324 730676880 /nfs/dbraw/zinc/67/68/80/730676880.db2.gz GYERDRJUEKUGEG-QGZVFWFLSA-N 1 2 360.454 2.745 20 30 FFEDLO Fc1cc(C=[NH+]NCC(F)(F)C(F)(F)F)ccc1N1CCOCC1 ZINC000863179069 730753848 /nfs/dbraw/zinc/75/38/48/730753848.db2.gz BGMDSXOAABFSJJ-UHFFFAOYSA-N 1 2 355.282 2.783 20 30 FFEDLO N#C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1c(Cl)cccc1Cl ZINC000865198512 730923743 /nfs/dbraw/zinc/92/37/43/730923743.db2.gz JVHJLXRPKJTJQI-JBQRSBCVSA-N 1 2 354.237 2.563 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2C[C@H]2C(F)(F)F)CC1=O ZINC000865287510 730935276 /nfs/dbraw/zinc/93/52/76/730935276.db2.gz CLGXXLBIDQZEKP-BXKDBHETSA-N 1 2 350.344 2.597 20 30 FFEDLO Cc1cc(C[NH+]2CCN(c3cc(C(F)(F)F)cc(C#N)n3)CC2)on1 ZINC000865419993 730952826 /nfs/dbraw/zinc/95/28/26/730952826.db2.gz FXNKUVKBJXJHDV-UHFFFAOYSA-N 1 2 351.332 2.591 20 30 FFEDLO C[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1cccc(C#N)c1O ZINC000866268727 731045450 /nfs/dbraw/zinc/04/54/50/731045450.db2.gz DRQPHWBZFMKNHD-SNVBAGLBSA-N 1 2 351.332 2.835 20 30 FFEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2coc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000867115858 731145290 /nfs/dbraw/zinc/14/52/90/731145290.db2.gz TXXKXLQTDZSRIC-IAGOWNOFSA-N 1 2 359.813 2.606 20 30 FFEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2coc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000867115858 731145292 /nfs/dbraw/zinc/14/52/92/731145292.db2.gz TXXKXLQTDZSRIC-IAGOWNOFSA-N 1 2 359.813 2.606 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2c(C)cccc2C#N)c1C ZINC000872442889 731768499 /nfs/dbraw/zinc/76/84/99/731768499.db2.gz GEAZHSXYDPUVOO-UHFFFAOYSA-N 1 2 359.451 2.708 20 30 FFEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cc1 ZINC000877775550 732427305 /nfs/dbraw/zinc/42/73/05/732427305.db2.gz NHCZSNHHMWCBHF-BLLLJJGKSA-N 1 2 355.360 2.620 20 30 FFEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cc1 ZINC000877775550 732427308 /nfs/dbraw/zinc/42/73/08/732427308.db2.gz NHCZSNHHMWCBHF-BLLLJJGKSA-N 1 2 355.360 2.620 20 30 FFEDLO CC[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1cccc(C#N)c1O ZINC000926503038 738622537 /nfs/dbraw/zinc/62/25/37/738622537.db2.gz MIGSGJBZCZBXKF-PUJMQQBBSA-N 1 2 350.484 2.908 20 30 FFEDLO Cc1nc(C#N)cc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000882148733 733179425 /nfs/dbraw/zinc/17/94/25/733179425.db2.gz UJKFPWIZBPXYKK-WMZOPIPTSA-N 1 2 357.845 2.794 20 30 FFEDLO Cc1nc(C#N)cc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000882148733 733179426 /nfs/dbraw/zinc/17/94/26/733179426.db2.gz UJKFPWIZBPXYKK-WMZOPIPTSA-N 1 2 357.845 2.794 20 30 FFEDLO CC(C)Cc1noc(CO[NH+]=C(N)c2ccc(Br)cc2)n1 ZINC000782949756 738767587 /nfs/dbraw/zinc/76/75/87/738767587.db2.gz YVCHZTRXXOPJRY-UHFFFAOYSA-N 1 2 353.220 2.868 20 30 FFEDLO CC#CCCNC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000681538739 734002239 /nfs/dbraw/zinc/00/22/39/734002239.db2.gz RBWUNOMMFVAPOW-UHFFFAOYSA-N 1 2 353.388 2.946 20 30 FFEDLO N#Cc1sc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)nc1Cl ZINC000888406470 734050382 /nfs/dbraw/zinc/05/03/82/734050382.db2.gz BJQSENNXSGOQRB-UHFFFAOYSA-N 1 2 350.835 2.565 20 30 FFEDLO O=C(C[NH+]1CCC(F)(F)CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000684624605 734255511 /nfs/dbraw/zinc/25/55/11/734255511.db2.gz VMWZFRKBKLQEKS-UHFFFAOYSA-N 1 2 360.326 2.904 20 30 FFEDLO CCOc1ccc(OCC)c(NC(=S)NN=C2C[NH+]3CCC2CC3)c1 ZINC000727258455 734474376 /nfs/dbraw/zinc/47/43/76/734474376.db2.gz KKNHNJGSZFPSEO-UHFFFAOYSA-N 1 2 362.499 2.852 20 30 FFEDLO COc1ccc(NC(=S)N[NH+]=Cc2ccc3c(c2)CCCN3C)cn1 ZINC000729639977 734588033 /nfs/dbraw/zinc/58/80/33/734588033.db2.gz UINIXJHVPUQFHV-UHFFFAOYSA-N 1 2 355.467 2.793 20 30 FFEDLO CCOC(=O)c1cnc(N=NCc2cc(-n3cc[nH+]c3)cs2)nc1C ZINC000783858833 738842732 /nfs/dbraw/zinc/84/27/32/738842732.db2.gz GLOHKYWRHMVFRB-UHFFFAOYSA-N 1 2 356.411 2.655 20 30 FFEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccccc1SCC#N ZINC000741148996 735120938 /nfs/dbraw/zinc/12/09/38/735120938.db2.gz VICWGGAUXQLKHJ-OAHLLOKOSA-N 1 2 361.467 2.658 20 30 FFEDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccccc1SCC#N ZINC000741148996 735120940 /nfs/dbraw/zinc/12/09/40/735120940.db2.gz VICWGGAUXQLKHJ-OAHLLOKOSA-N 1 2 361.467 2.658 20 30 FFEDLO C[N@H+](CC(F)F)C1CCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000742238529 735213377 /nfs/dbraw/zinc/21/33/77/735213377.db2.gz HAIIKNYIAFAWRH-UHFFFAOYSA-N 1 2 353.438 2.838 20 30 FFEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000742238529 735213382 /nfs/dbraw/zinc/21/33/82/735213382.db2.gz HAIIKNYIAFAWRH-UHFFFAOYSA-N 1 2 353.438 2.838 20 30 FFEDLO N#Cc1sccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000903497185 736102547 /nfs/dbraw/zinc/10/25/47/736102547.db2.gz FHVLIDJJHKFUTA-CYBMUJFWSA-N 1 2 367.883 2.608 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759041059 736542746 /nfs/dbraw/zinc/54/27/46/736542746.db2.gz QFGDDKJQEQSYNF-KRWDZBQOSA-N 1 2 360.820 2.601 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000759729656 736589099 /nfs/dbraw/zinc/58/90/99/736589099.db2.gz BUTJMMVZBNVFPJ-UZUMKDMXSA-N 1 2 360.523 2.667 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CCSC[C@@H]1CCO ZINC000759729656 736589101 /nfs/dbraw/zinc/58/91/01/736589101.db2.gz BUTJMMVZBNVFPJ-UZUMKDMXSA-N 1 2 360.523 2.667 20 30 FFEDLO C[C@@H]1CC(=NNS(=O)(=O)c2ccccc2)C[N@@H+](Cc2ccccc2)C1 ZINC000767359331 737318075 /nfs/dbraw/zinc/31/80/75/737318075.db2.gz GBFIOWCBYMUDBJ-MRXNPFEDSA-N 1 2 357.479 2.863 20 30 FFEDLO C[C@@H]1CC(=NNS(=O)(=O)c2ccccc2)C[N@H+](Cc2ccccc2)C1 ZINC000767359331 737318077 /nfs/dbraw/zinc/31/80/77/737318077.db2.gz GBFIOWCBYMUDBJ-MRXNPFEDSA-N 1 2 357.479 2.863 20 30 FFEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000914021047 737491904 /nfs/dbraw/zinc/49/19/04/737491904.db2.gz ZQTDZTICHUPZFL-UHFFFAOYSA-N 1 2 358.467 2.539 20 30 FFEDLO CC(C)OCCO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000769842706 737572920 /nfs/dbraw/zinc/57/29/20/737572920.db2.gz QDGFRQXURHSFLJ-UHFFFAOYSA-N 1 2 351.447 2.773 20 30 FFEDLO C=C(C)C[N@H+](C)Cn1c2ccc(I)cc2oc1=O ZINC000777959345 738335583 /nfs/dbraw/zinc/33/55/83/738335583.db2.gz GCPSDJACEAWPDN-UHFFFAOYSA-N 1 2 358.179 2.665 20 30 FFEDLO C=C(C)C[N@@H+](C)Cn1c2ccc(I)cc2oc1=O ZINC000777959345 738335587 /nfs/dbraw/zinc/33/55/87/738335587.db2.gz GCPSDJACEAWPDN-UHFFFAOYSA-N 1 2 358.179 2.665 20 30 FFEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000777959715 738335736 /nfs/dbraw/zinc/33/57/36/738335736.db2.gz ZZWPTFGNFHMAHQ-INIZCTEOSA-N 1 2 366.259 2.682 20 30 FFEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000777959715 738335738 /nfs/dbraw/zinc/33/57/38/738335738.db2.gz ZZWPTFGNFHMAHQ-INIZCTEOSA-N 1 2 366.259 2.682 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1csc(CC)n1 ZINC000960884865 740626789 /nfs/dbraw/zinc/62/67/89/740626789.db2.gz RSOFDIIZFQRMMM-ZACQAIPSSA-N 1 2 363.527 2.719 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1csc(CC)n1 ZINC000960884865 740626793 /nfs/dbraw/zinc/62/67/93/740626793.db2.gz RSOFDIIZFQRMMM-ZACQAIPSSA-N 1 2 363.527 2.719 20 30 FFEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC000972400864 740829433 /nfs/dbraw/zinc/82/94/33/740829433.db2.gz CHBUSVJJGQXZJJ-BFHYXJOUSA-N 1 2 353.260 2.824 20 30 FFEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC000972400864 740829438 /nfs/dbraw/zinc/82/94/38/740829438.db2.gz CHBUSVJJGQXZJJ-BFHYXJOUSA-N 1 2 353.260 2.824 20 30 FFEDLO C#C[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000805137967 740944537 /nfs/dbraw/zinc/94/45/37/740944537.db2.gz WFIOFGPWGIPFNM-DCGLDWPTSA-N 1 2 367.852 2.562 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2nc(C)c(C)s2)CC1 ZINC000981186716 741139718 /nfs/dbraw/zinc/13/97/18/741139718.db2.gz YMPKYDQLLATITE-SJORKVTESA-N 1 2 363.527 2.775 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2nc(C)c(C)s2)CC1 ZINC000981186716 741139720 /nfs/dbraw/zinc/13/97/20/741139720.db2.gz YMPKYDQLLATITE-SJORKVTESA-N 1 2 363.527 2.775 20 30 FFEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC001005743641 742266518 /nfs/dbraw/zinc/26/65/18/742266518.db2.gz BOAOKVSGUKTWAD-CVEARBPZSA-N 1 2 371.319 2.633 20 30 FFEDLO N#Cc1cc(F)ccc1CS(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000820762881 742546363 /nfs/dbraw/zinc/54/63/63/742546363.db2.gz XXODQYXHQGIMSL-UHFFFAOYSA-N 1 2 357.366 2.792 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001023599156 742712943 /nfs/dbraw/zinc/71/29/43/742712943.db2.gz BPICJSGITLEOTL-YUELXQCFSA-N 1 2 369.918 2.716 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001023599156 742712945 /nfs/dbraw/zinc/71/29/45/742712945.db2.gz BPICJSGITLEOTL-YUELXQCFSA-N 1 2 369.918 2.716 20 30 FFEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001024707828 742735239 /nfs/dbraw/zinc/73/52/39/742735239.db2.gz QSMRNAJXHSTSFE-PMPSAXMXSA-N 1 2 371.319 2.847 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001024707828 742735241 /nfs/dbraw/zinc/73/52/41/742735241.db2.gz QSMRNAJXHSTSFE-PMPSAXMXSA-N 1 2 371.319 2.847 20 30 FFEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001027887538 742776979 /nfs/dbraw/zinc/77/69/79/742776979.db2.gz RPOBSVOGPCMNJI-KKUMJFAQSA-N 1 2 359.308 2.537 20 30 FFEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001027887538 742776983 /nfs/dbraw/zinc/77/69/83/742776983.db2.gz RPOBSVOGPCMNJI-KKUMJFAQSA-N 1 2 359.308 2.537 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(Cl)ccc2F)C1 ZINC001031987488 742853555 /nfs/dbraw/zinc/85/35/55/742853555.db2.gz PTJDHWXFBQINHD-WBVHZDCISA-N 1 2 352.837 2.618 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2csc(CC)n2)C1 ZINC001033087552 742870769 /nfs/dbraw/zinc/87/07/69/742870769.db2.gz WEXWMRUBYDVDRQ-BBWFWOEESA-N 1 2 363.527 2.719 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2csc(CC)n2)C1 ZINC001033087552 742870778 /nfs/dbraw/zinc/87/07/78/742870778.db2.gz WEXWMRUBYDVDRQ-BBWFWOEESA-N 1 2 363.527 2.719 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](C/C(Cl)=C/Cl)C2)C1 ZINC001041696245 743051597 /nfs/dbraw/zinc/05/15/97/743051597.db2.gz MPVWMNZQXOSYKH-KZPSDOLCSA-N 1 2 359.297 2.821 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](C/C(Cl)=C/Cl)C2)C1 ZINC001041696245 743051606 /nfs/dbraw/zinc/05/16/06/743051606.db2.gz MPVWMNZQXOSYKH-KZPSDOLCSA-N 1 2 359.297 2.821 20 30 FFEDLO C[N@@H+](Cc1nc(C#N)cs1)C[C@@H](O)c1ccccc1Br ZINC000825305456 743244832 /nfs/dbraw/zinc/24/48/32/743244832.db2.gz JNXXICAAIANIHB-CYBMUJFWSA-N 1 2 352.257 2.943 20 30 FFEDLO C[N@H+](Cc1nc(C#N)cs1)C[C@@H](O)c1ccccc1Br ZINC000825305456 743244836 /nfs/dbraw/zinc/24/48/36/743244836.db2.gz JNXXICAAIANIHB-CYBMUJFWSA-N 1 2 352.257 2.943 20 30 FFEDLO COC(=O)/C=C/c1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)o1 ZINC000826894757 743465132 /nfs/dbraw/zinc/46/51/32/743465132.db2.gz VXNYKJSFXHUQFP-SNAWJCMRSA-N 1 2 357.435 2.721 20 30 FFEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)CCO2 ZINC001053291811 744970867 /nfs/dbraw/zinc/97/08/67/744970867.db2.gz IBJICCSWQXHYFW-HUUCEWRRSA-N 1 2 360.420 2.844 20 30 FFEDLO C#CCC[N@@H+](CCOC)Cc1cn(-c2ccccc2Br)nn1 ZINC000827827312 744986239 /nfs/dbraw/zinc/98/62/39/744986239.db2.gz RGWNSUVMVCNBRV-UHFFFAOYSA-N 1 2 363.259 2.502 20 30 FFEDLO C#CCC[N@H+](CCOC)Cc1cn(-c2ccccc2Br)nn1 ZINC000827827312 744986241 /nfs/dbraw/zinc/98/62/41/744986241.db2.gz RGWNSUVMVCNBRV-UHFFFAOYSA-N 1 2 363.259 2.502 20 30 FFEDLO CN(C)C(=O)O[C@@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000830509271 745372729 /nfs/dbraw/zinc/37/27/29/745372729.db2.gz FYBYHUIMLPXULW-OAHLLOKOSA-N 1 2 356.344 2.709 20 30 FFEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000830509271 745372733 /nfs/dbraw/zinc/37/27/33/745372733.db2.gz FYBYHUIMLPXULW-OAHLLOKOSA-N 1 2 356.344 2.709 20 30 FFEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000830589716 745389144 /nfs/dbraw/zinc/38/91/44/745389144.db2.gz PCRSDUYARVEMIF-AWEZNQCLSA-N 1 2 366.259 2.983 20 30 FFEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000830589716 745389147 /nfs/dbraw/zinc/38/91/47/745389147.db2.gz PCRSDUYARVEMIF-AWEZNQCLSA-N 1 2 366.259 2.983 20 30 FFEDLO C#C[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000837316696 746421208 /nfs/dbraw/zinc/42/12/08/746421208.db2.gz LKDOWQYDORJHSE-OAHLLOKOSA-N 1 2 361.243 2.709 20 30 FFEDLO C=C[C@H](C)ONC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000845623511 748294083 /nfs/dbraw/zinc/29/40/83/748294083.db2.gz IQFZVKUZRHSMOV-NSHDSACASA-N 1 2 367.247 2.753 20 30 FFEDLO COCC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C[C@@H](O)C(F)(F)F ZINC000847020670 748600673 /nfs/dbraw/zinc/60/06/73/748600673.db2.gz BFGLVADYPVKWAT-CQSZACIVSA-N 1 2 366.767 2.614 20 30 FFEDLO COCC[N@H+](Cc1cc(Cl)ccc1OCC#N)C[C@@H](O)C(F)(F)F ZINC000847020670 748600677 /nfs/dbraw/zinc/60/06/77/748600677.db2.gz BFGLVADYPVKWAT-CQSZACIVSA-N 1 2 366.767 2.614 20 30 FFEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H](O)c2ccccn2)CC1 ZINC000851999599 749747580 /nfs/dbraw/zinc/74/75/80/749747580.db2.gz NFMXFEAPVSUINI-RTBURBONSA-N 1 2 356.857 2.651 20 30 FFEDLO C=CC[N@H+](CN1Cc2ccc(Br)cc2C1=O)[C@@H](C)COC ZINC000853534871 750086129 /nfs/dbraw/zinc/08/61/29/750086129.db2.gz NUQBMFQHAGHKKJ-LBPRGKRZSA-N 1 2 353.260 2.885 20 30 FFEDLO C=CC[N@@H+](CN1Cc2ccc(Br)cc2C1=O)[C@@H](C)COC ZINC000853534871 750086135 /nfs/dbraw/zinc/08/61/35/750086135.db2.gz NUQBMFQHAGHKKJ-LBPRGKRZSA-N 1 2 353.260 2.885 20 30 FFEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(CCC(N)=O)n(CC(C)C)c1=S ZINC000853599248 750107949 /nfs/dbraw/zinc/10/79/49/750107949.db2.gz MQQAZOPDHOYTOD-GASCZTMLSA-N 1 2 363.531 2.628 20 30 FFEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(CCC(N)=O)n(CC(C)C)c1=S ZINC000853599248 750107953 /nfs/dbraw/zinc/10/79/53/750107953.db2.gz MQQAZOPDHOYTOD-GASCZTMLSA-N 1 2 363.531 2.628 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2csnn2)C1 ZINC001211655086 971624133 /nfs/dbraw/zinc/62/41/33/971624133.db2.gz AZRGTPQTYWMOIZ-RBUKOAKNSA-N 1 2 368.506 2.816 20 30 FFEDLO Cn1ncc(C(F)(F)F)c1C[N@@H+]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000896650624 971650404 /nfs/dbraw/zinc/65/04/04/971650404.db2.gz JLNVWCQMNZCJKO-ZDUSSCGKSA-N 1 2 364.375 2.782 20 30 FFEDLO Cn1ncc(C(F)(F)F)c1C[N@H+]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000896650624 971650409 /nfs/dbraw/zinc/65/04/09/971650409.db2.gz JLNVWCQMNZCJKO-ZDUSSCGKSA-N 1 2 364.375 2.782 20 30 FFEDLO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(Br)ccc3C#N)CC[C@@H]21 ZINC001141907792 971674352 /nfs/dbraw/zinc/67/43/52/971674352.db2.gz OILROSNTGMGKGC-BBRMVZONSA-N 1 2 362.271 2.763 20 30 FFEDLO CN1C(=O)CC[C@H]2C[N@H+](Cc3cc(Br)ccc3C#N)CC[C@@H]21 ZINC001141907792 971674354 /nfs/dbraw/zinc/67/43/54/971674354.db2.gz OILROSNTGMGKGC-BBRMVZONSA-N 1 2 362.271 2.763 20 30 FFEDLO C#CCN(C(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CCCC1 ZINC000162695199 971801769 /nfs/dbraw/zinc/80/17/69/971801769.db2.gz YNBHUBPJKXIATL-UHFFFAOYSA-N 1 2 355.482 2.606 20 30 FFEDLO Cc1cc(C#N)cc(C)c1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000896885976 972026711 /nfs/dbraw/zinc/02/67/11/972026711.db2.gz MYDUDROTXWQZGA-UHFFFAOYSA-N 1 2 350.422 2.967 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2nc(C)c(C)o2)CC1(C)C ZINC000974586794 972032578 /nfs/dbraw/zinc/03/25/78/972032578.db2.gz HBYHTHMFOSQSRI-IKGGRYGDSA-N 1 2 361.486 2.599 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2nc(C)c(C)o2)CC1(C)C ZINC000974586794 972032585 /nfs/dbraw/zinc/03/25/85/972032585.db2.gz HBYHTHMFOSQSRI-IKGGRYGDSA-N 1 2 361.486 2.599 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)CC[C@@H]2C1 ZINC001088064476 972066857 /nfs/dbraw/zinc/06/68/57/972066857.db2.gz GZGWDOFLXPRKJJ-CVEARBPZSA-N 1 2 359.518 2.811 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)CC[C@@H]2C1 ZINC001088064476 972066865 /nfs/dbraw/zinc/06/68/65/972066865.db2.gz GZGWDOFLXPRKJJ-CVEARBPZSA-N 1 2 359.518 2.811 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC(F)(F)C2)C3)c1 ZINC001095295358 1013169312 /nfs/dbraw/zinc/16/93/12/1013169312.db2.gz XGZHFVCRDBUXIL-PVAVHDDUSA-N 1 2 363.383 2.964 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC(F)(F)C2)C3)c1 ZINC001095295358 1013169318 /nfs/dbraw/zinc/16/93/18/1013169318.db2.gz XGZHFVCRDBUXIL-PVAVHDDUSA-N 1 2 363.383 2.964 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(F)cc(Cl)c1)C2 ZINC001275916533 1013186896 /nfs/dbraw/zinc/18/68/96/1013186896.db2.gz WLLOWBVFUNSSCE-GOSISDBHSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(F)cc(Cl)c1)C2 ZINC001275916533 1013186899 /nfs/dbraw/zinc/18/68/99/1013186899.db2.gz WLLOWBVFUNSSCE-GOSISDBHSA-N 1 2 352.837 2.716 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cc(F)ccc2F)C1 ZINC000969684750 959758894 /nfs/dbraw/zinc/75/88/94/959758894.db2.gz NXKWQWSFILCGKQ-XVSDVWIESA-N 1 2 364.436 2.883 20 30 FFEDLO C=CCN(CCN1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1)C(=O)OCC ZINC001209024585 959921033 /nfs/dbraw/zinc/92/10/33/959921033.db2.gz UQVLDOACVJTYRE-MRXNPFEDSA-N 1 2 359.461 2.826 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCO[C@@H](C(F)F)CC2)cc1 ZINC000872269516 1013194234 /nfs/dbraw/zinc/19/42/34/1013194234.db2.gz SWCQBZANWLSAJV-DOTOQJQBSA-N 1 2 365.424 2.986 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCO[C@@H](C(F)F)CC2)cc1 ZINC000872269516 1013194240 /nfs/dbraw/zinc/19/42/40/1013194240.db2.gz SWCQBZANWLSAJV-DOTOQJQBSA-N 1 2 365.424 2.986 20 30 FFEDLO N#Cc1ccc(C(F)(F)F)c(Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC001174493790 1013223459 /nfs/dbraw/zinc/22/34/59/1013223459.db2.gz MWZNOKJGHXAJLR-UHFFFAOYSA-N 1 2 365.359 2.849 20 30 FFEDLO C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)c3noc(C)n3)C2)CCC1 ZINC001104279520 961431252 /nfs/dbraw/zinc/43/12/52/961431252.db2.gz CNVGFCWUOHAQJW-BFYDXBDKSA-N 1 2 358.486 2.707 20 30 FFEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cnc(Br)s1)CC2 ZINC001276010673 1013283273 /nfs/dbraw/zinc/28/32/73/1013283273.db2.gz POMSSJXCUNWIDI-LBPRGKRZSA-N 1 2 370.316 2.810 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095432880 1013345368 /nfs/dbraw/zinc/34/53/68/1013345368.db2.gz LBMJHRMLRDLJFP-MJCUULBUSA-N 1 2 365.477 2.761 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095432880 1013345375 /nfs/dbraw/zinc/34/53/75/1013345375.db2.gz LBMJHRMLRDLJFP-MJCUULBUSA-N 1 2 365.477 2.761 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccncc1)C2 ZINC001095436850 1013367266 /nfs/dbraw/zinc/36/72/66/1013367266.db2.gz CYMLZQMLZAFHPT-TWGBQZSLSA-N 1 2 372.472 2.978 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccncc1)C2 ZINC001095436850 1013367271 /nfs/dbraw/zinc/36/72/71/1013367271.db2.gz CYMLZQMLZAFHPT-TWGBQZSLSA-N 1 2 372.472 2.978 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(F)c1 ZINC001110177930 1013367520 /nfs/dbraw/zinc/36/75/20/1013367520.db2.gz OBOQLQFOVJZFSU-JLSDUUJJSA-N 1 2 350.409 2.779 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(F)c1 ZINC001110177930 1013367532 /nfs/dbraw/zinc/36/75/32/1013367532.db2.gz OBOQLQFOVJZFSU-JLSDUUJJSA-N 1 2 350.409 2.779 20 30 FFEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1cccnc1)C1CC1 ZINC001266611518 962769161 /nfs/dbraw/zinc/76/91/61/962769161.db2.gz MKDZAZINUMSPAA-LEWJYISDSA-N 1 2 360.461 2.838 20 30 FFEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1cccnc1)C1CC1 ZINC001266611518 962769184 /nfs/dbraw/zinc/76/91/84/962769184.db2.gz MKDZAZINUMSPAA-LEWJYISDSA-N 1 2 360.461 2.838 20 30 FFEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@@](C)(C(N)=O)C(C)C)[nH+]1 ZINC001167411134 962857233 /nfs/dbraw/zinc/85/72/33/962857233.db2.gz NWPAIGRQLSDFDT-GAFWAWHESA-N 1 2 352.504 2.583 20 30 FFEDLO C=CCn1ncc2ccc(NC(=O)N3C[C@H]([NH+]4CCOCC4)C[C@H]3C)cc21 ZINC000933077495 963432356 /nfs/dbraw/zinc/43/23/56/963432356.db2.gz NIKOUKQDYGFWIU-CRAIPNDOSA-N 1 2 369.469 2.549 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc(C)oc1C ZINC000960648807 1013441129 /nfs/dbraw/zinc/44/11/29/1013441129.db2.gz UMWCADDXIUXEKD-SCTDSRPQSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc(C)oc1C ZINC000960648807 1013441135 /nfs/dbraw/zinc/44/11/35/1013441135.db2.gz UMWCADDXIUXEKD-SCTDSRPQSA-N 1 2 361.486 2.695 20 30 FFEDLO C[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21)n1cccc1 ZINC001075695105 964159453 /nfs/dbraw/zinc/15/94/53/964159453.db2.gz PUFGMMAQMIWLEV-OXFYSEKESA-N 1 2 366.440 2.793 20 30 FFEDLO C[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21)n1cccc1 ZINC001075695105 964159458 /nfs/dbraw/zinc/15/94/58/964159458.db2.gz PUFGMMAQMIWLEV-OXFYSEKESA-N 1 2 366.440 2.793 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 ZINC000077377640 964176344 /nfs/dbraw/zinc/17/63/44/964176344.db2.gz VZSNWXKGBBJZLX-IBGZPJMESA-N 1 2 353.422 2.600 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933397374 964318656 /nfs/dbraw/zinc/31/86/56/964318656.db2.gz CIMNIBJADNXLCR-HNNXBMFYSA-N 1 2 368.437 2.563 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933397374 964318664 /nfs/dbraw/zinc/31/86/64/964318664.db2.gz CIMNIBJADNXLCR-HNNXBMFYSA-N 1 2 368.437 2.563 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncc(C)o1 ZINC000960915687 1013520492 /nfs/dbraw/zinc/52/04/92/1013520492.db2.gz XJZMYFPXLVPPAK-AOIWGVFYSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncc(C)o1 ZINC000960915687 1013520499 /nfs/dbraw/zinc/52/04/99/1013520499.db2.gz XJZMYFPXLVPPAK-AOIWGVFYSA-N 1 2 361.486 2.777 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2csc(C)n2)C1 ZINC001087467447 965076840 /nfs/dbraw/zinc/07/68/40/965076840.db2.gz XVCRQAUSDDFWEP-IAGOWNOFSA-N 1 2 357.454 2.812 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2csc(C)n2)C1 ZINC001087467447 965076855 /nfs/dbraw/zinc/07/68/55/965076855.db2.gz XVCRQAUSDDFWEP-IAGOWNOFSA-N 1 2 357.454 2.812 20 30 FFEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000178327115 965083920 /nfs/dbraw/zinc/08/39/20/965083920.db2.gz IBNYNXVJHKEDCM-PMACEKPBSA-N 1 2 352.434 2.698 20 30 FFEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000178327115 965083931 /nfs/dbraw/zinc/08/39/31/965083931.db2.gz IBNYNXVJHKEDCM-PMACEKPBSA-N 1 2 352.434 2.698 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2ccc(OC)o2)C1 ZINC001087476493 965647724 /nfs/dbraw/zinc/64/77/24/965647724.db2.gz POLMCMAJWOSWEH-ROUUACIJSA-N 1 2 368.433 2.518 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2ccc(OC)o2)C1 ZINC001087476493 965647728 /nfs/dbraw/zinc/64/77/28/965647728.db2.gz POLMCMAJWOSWEH-ROUUACIJSA-N 1 2 368.433 2.518 20 30 FFEDLO C[N@H+](Cc1ccccc1)[C@@H](CO)c1nc(-c2cc(C#N)ccc2F)no1 ZINC001211571633 967355875 /nfs/dbraw/zinc/35/58/75/967355875.db2.gz WBLHZDNBLYWPAY-KRWDZBQOSA-N 1 2 352.369 2.913 20 30 FFEDLO C[N@@H+](Cc1ccccc1)[C@@H](CO)c1nc(-c2cc(C#N)ccc2F)no1 ZINC001211571633 967355885 /nfs/dbraw/zinc/35/58/85/967355885.db2.gz WBLHZDNBLYWPAY-KRWDZBQOSA-N 1 2 352.369 2.913 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC3(C1)CCOCC3)C2 ZINC000329692091 967947849 /nfs/dbraw/zinc/94/78/49/967947849.db2.gz DTBQAFRLDZCNSO-HNNXBMFYSA-N 1 2 360.502 2.912 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2ccn(CC)n2)[C@@H]1CC ZINC001087602747 968327626 /nfs/dbraw/zinc/32/76/26/968327626.db2.gz DCNPEJNNCVYHHU-ZWKOTPCHSA-N 1 2 355.486 2.673 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccn(CC)n2)[C@@H]1CC ZINC001087602747 968327635 /nfs/dbraw/zinc/32/76/35/968327635.db2.gz DCNPEJNNCVYHHU-ZWKOTPCHSA-N 1 2 355.486 2.673 20 30 FFEDLO CCOC(=O)[C@@H]1CCCc2sc(NC(=O)CCn3cc[nH+]c3)c(C#N)c21 ZINC001176873469 1013789848 /nfs/dbraw/zinc/78/98/48/1013789848.db2.gz PHQONQSZIDRKGL-GFCCVEGCSA-N 1 2 372.450 2.828 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cc2cnccc2C)[C@H]1CC ZINC001087607926 968344798 /nfs/dbraw/zinc/34/47/98/968344798.db2.gz GJDRDUSARTVRST-JKSUJKDBSA-N 1 2 366.303 2.810 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cc2cnccc2C)[C@H]1CC ZINC001087607926 968344810 /nfs/dbraw/zinc/34/48/10/968344810.db2.gz GJDRDUSARTVRST-JKSUJKDBSA-N 1 2 366.303 2.810 20 30 FFEDLO C=CCN1CCN(C[N@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)C1=O ZINC000840058365 969059298 /nfs/dbraw/zinc/05/92/98/969059298.db2.gz PVVVOWOPTKISCR-QGZVFWFLSA-N 1 2 365.481 2.626 20 30 FFEDLO C=CCN1CCN(C[N@@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)C1=O ZINC000840058365 969059305 /nfs/dbraw/zinc/05/93/05/969059305.db2.gz PVVVOWOPTKISCR-QGZVFWFLSA-N 1 2 365.481 2.626 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cc(C#N)ccc2F)O1 ZINC001024659692 969242575 /nfs/dbraw/zinc/24/25/75/969242575.db2.gz HAIJUFYVRGTOEP-DKSSEZFCSA-N 1 2 359.445 2.736 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cc(C#N)ccc2F)O1 ZINC001024659692 969242579 /nfs/dbraw/zinc/24/25/79/969242579.db2.gz HAIJUFYVRGTOEP-DKSSEZFCSA-N 1 2 359.445 2.736 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000895408438 970592872 /nfs/dbraw/zinc/59/28/72/970592872.db2.gz UWVYRSNDTJGQDC-IBGZPJMESA-N 1 2 353.466 2.552 20 30 FFEDLO N#Cc1cc(F)ccc1N1CC[NH+](Cc2ccc3oc(=O)oc3c2)CC1 ZINC000895461718 970640662 /nfs/dbraw/zinc/64/06/62/970640662.db2.gz OUWAFERWXRJSDR-UHFFFAOYSA-N 1 2 353.353 2.719 20 30 FFEDLO Cc1scc(C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c1C ZINC001271746514 974290747 /nfs/dbraw/zinc/29/07/47/974290747.db2.gz MNFYFXKMWRKZSB-UHFFFAOYSA-N 1 2 354.479 2.533 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2nocc2C)CC1(C)C ZINC000977287053 974731048 /nfs/dbraw/zinc/73/10/48/974731048.db2.gz AUCYWLXKLBDUCP-SZMVWBNQSA-N 1 2 361.486 2.681 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[N@@H+](Cc2nocc2C)CC1(C)C ZINC000977287053 974731052 /nfs/dbraw/zinc/73/10/52/974731052.db2.gz AUCYWLXKLBDUCP-SZMVWBNQSA-N 1 2 361.486 2.681 20 30 FFEDLO Cc1ccc(C#N)c(NC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C)n1 ZINC001126136858 974768279 /nfs/dbraw/zinc/76/82/79/974768279.db2.gz UHOUVPNFYWJJKK-INMHGKMJSA-N 1 2 366.469 2.731 20 30 FFEDLO Cc1ccc(C#N)c(NC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C)n1 ZINC001126136858 974768283 /nfs/dbraw/zinc/76/82/83/974768283.db2.gz UHOUVPNFYWJJKK-INMHGKMJSA-N 1 2 366.469 2.731 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cncc3[nH]ccc32)[C@H]1C ZINC001088706526 975385414 /nfs/dbraw/zinc/38/54/14/975385414.db2.gz XIFDQTGOJMMORR-RISCZKNCSA-N 1 2 363.259 2.664 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cncc3[nH]ccc32)[C@H]1C ZINC001088706526 975385419 /nfs/dbraw/zinc/38/54/19/975385419.db2.gz XIFDQTGOJMMORR-RISCZKNCSA-N 1 2 363.259 2.664 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3c(C)nn(C)c3Cl)[C@@H]2C)cc1 ZINC001088787364 976228722 /nfs/dbraw/zinc/22/87/22/976228722.db2.gz FDJYFLIHDXROLL-KDOFPFPSSA-N 1 2 370.884 2.756 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3c(C)nn(C)c3Cl)[C@@H]2C)cc1 ZINC001088787364 976228735 /nfs/dbraw/zinc/22/87/35/976228735.db2.gz FDJYFLIHDXROLL-KDOFPFPSSA-N 1 2 370.884 2.756 20 30 FFEDLO CCN(CC)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000796561193 1014319824 /nfs/dbraw/zinc/31/98/24/1014319824.db2.gz KTXOBKPTPOHIRL-GOSISDBHSA-N 1 2 372.469 2.830 20 30 FFEDLO CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000796561193 1014319834 /nfs/dbraw/zinc/31/98/34/1014319834.db2.gz KTXOBKPTPOHIRL-GOSISDBHSA-N 1 2 372.469 2.830 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cc4c(cc[nH]c4=O)o3)CC2)c(F)c1 ZINC000876645519 1014336034 /nfs/dbraw/zinc/33/60/34/1014336034.db2.gz LCESAUHHGJKXTL-UHFFFAOYSA-N 1 2 352.369 2.866 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(N)=O)CC[C@@H]2c2ccccc2)CC1 ZINC001087435672 976980986 /nfs/dbraw/zinc/98/09/86/976980986.db2.gz AETVBQLSJQSHRP-PWIZWCRZSA-N 1 2 369.509 2.581 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)CC[C@@H]2c2ccccc2)CC1 ZINC001087435672 976980997 /nfs/dbraw/zinc/98/09/97/976980997.db2.gz AETVBQLSJQSHRP-PWIZWCRZSA-N 1 2 369.509 2.581 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCOc3ccccc3[C@H]2C)c1 ZINC001167866897 977041366 /nfs/dbraw/zinc/04/13/66/977041366.db2.gz BLIBSXLZWPFAQH-OAHLLOKOSA-N 1 2 363.417 2.772 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCOc3ccccc3[C@H]2C)c1 ZINC001167866897 977041376 /nfs/dbraw/zinc/04/13/76/977041376.db2.gz BLIBSXLZWPFAQH-OAHLLOKOSA-N 1 2 363.417 2.772 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)nn1 ZINC000653573665 1014379636 /nfs/dbraw/zinc/37/96/36/1014379636.db2.gz IJBJYBFTCNOCDD-AWEZNQCLSA-N 1 2 374.876 2.753 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)nn1 ZINC000653573665 1014379646 /nfs/dbraw/zinc/37/96/46/1014379646.db2.gz IJBJYBFTCNOCDD-AWEZNQCLSA-N 1 2 374.876 2.753 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccc3oc(=O)oc3c2)CC1 ZINC000893962641 977609820 /nfs/dbraw/zinc/60/98/20/977609820.db2.gz QHEGYFQDYMLQCR-UHFFFAOYSA-N 1 2 353.353 2.719 20 30 FFEDLO N#CCOc1ccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC001137114759 1014424236 /nfs/dbraw/zinc/42/42/36/1014424236.db2.gz YOISUBDBLNNQOL-UHFFFAOYSA-N 1 2 365.433 2.635 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001087462691 978113244 /nfs/dbraw/zinc/11/32/44/978113244.db2.gz XGFIYEOGXSLYRQ-KBAYOESNSA-N 1 2 366.864 2.889 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001087462691 978113246 /nfs/dbraw/zinc/11/32/46/978113246.db2.gz XGFIYEOGXSLYRQ-KBAYOESNSA-N 1 2 366.864 2.889 20 30 FFEDLO N#Cc1ccccc1N1CCC(NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000877176153 1014500727 /nfs/dbraw/zinc/50/07/27/1014500727.db2.gz QGMXSMOKHVAQDE-IBGZPJMESA-N 1 2 370.403 2.621 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](OC)c3cccc(OC)c3)[C@@H]2C1 ZINC001076093453 979106480 /nfs/dbraw/zinc/10/64/80/979106480.db2.gz ZCPDPEPCWRWUMZ-JQHSSLGASA-N 1 2 364.873 2.668 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](OC)c3cccc(OC)c3)[C@@H]2C1 ZINC001076093453 979106488 /nfs/dbraw/zinc/10/64/88/979106488.db2.gz ZCPDPEPCWRWUMZ-JQHSSLGASA-N 1 2 364.873 2.668 20 30 FFEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC001137119340 1014558882 /nfs/dbraw/zinc/55/88/82/1014558882.db2.gz HSQGRERXGXUCTR-UHFFFAOYSA-N 1 2 353.397 2.686 20 30 FFEDLO C#C[C@H]([NH2+]Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)[C@@H]1CCCO1 ZINC000877413000 1014578724 /nfs/dbraw/zinc/57/87/24/1014578724.db2.gz CGRWLXSXOPFBIB-GJZGRUSLSA-N 1 2 363.458 2.705 20 30 FFEDLO Cc1nc[nH]c1C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001076643858 979748121 /nfs/dbraw/zinc/74/81/21/979748121.db2.gz SLEUZCGPPUYDFJ-FUHWJXTLSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1nc[nH]c1C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001076643858 979748127 /nfs/dbraw/zinc/74/81/27/979748127.db2.gz SLEUZCGPPUYDFJ-FUHWJXTLSA-N 1 2 368.868 2.570 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cnc(C)s3)[C@H]2C)cc1C#N ZINC001088488684 979876892 /nfs/dbraw/zinc/87/68/92/979876892.db2.gz OODQGFDSKFQYCZ-WBMJQRKESA-N 1 2 370.478 2.725 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cnc(C)s3)[C@H]2C)cc1C#N ZINC001088488684 979876899 /nfs/dbraw/zinc/87/68/99/979876899.db2.gz OODQGFDSKFQYCZ-WBMJQRKESA-N 1 2 370.478 2.725 20 30 FFEDLO C=CCC1(C(=O)NCC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCC1 ZINC001059854782 980983983 /nfs/dbraw/zinc/98/39/83/980983983.db2.gz PLXIKRBICWMBIO-BRWVUGGUSA-N 1 2 370.497 2.614 20 30 FFEDLO C=CCC1(C(=O)NCC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCC1 ZINC001059854782 980983984 /nfs/dbraw/zinc/98/39/84/980983984.db2.gz PLXIKRBICWMBIO-BRWVUGGUSA-N 1 2 370.497 2.614 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001059855634 980996159 /nfs/dbraw/zinc/99/61/59/980996159.db2.gz VDJDEWAARLTCKT-TWMKSMIVSA-N 1 2 356.470 2.703 20 30 FFEDLO CCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001212053190 981477966 /nfs/dbraw/zinc/47/79/66/981477966.db2.gz SPEWAYIHAYGHSK-ATZDWAIDSA-N 1 2 362.901 2.943 20 30 FFEDLO CCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001212053190 981477968 /nfs/dbraw/zinc/47/79/68/981477968.db2.gz SPEWAYIHAYGHSK-ATZDWAIDSA-N 1 2 362.901 2.943 20 30 FFEDLO Cc1noc(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)c1C ZINC001075925404 981680025 /nfs/dbraw/zinc/68/00/25/981680025.db2.gz KRFUQHXBEBMSFL-MAUKXSAKSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1noc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)c1C ZINC001075925404 981680029 /nfs/dbraw/zinc/68/00/29/981680029.db2.gz KRFUQHXBEBMSFL-MAUKXSAKSA-N 1 2 368.412 2.649 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1nc(C)sc1C ZINC001483395250 982031161 /nfs/dbraw/zinc/03/11/61/982031161.db2.gz GLYMPNWMTOZDPD-NUTKFTJISA-N 1 2 351.516 2.678 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1nc(C)sc1C ZINC001483395250 982031172 /nfs/dbraw/zinc/03/11/72/982031172.db2.gz GLYMPNWMTOZDPD-NUTKFTJISA-N 1 2 351.516 2.678 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nocc3C)[C@@H]2C)cc1 ZINC001088671984 982266798 /nfs/dbraw/zinc/26/67/98/982266798.db2.gz HXFZCTJPGISKPU-QAPCUYQASA-N 1 2 355.438 2.941 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nocc3C)[C@@H]2C)cc1 ZINC001088671984 982266802 /nfs/dbraw/zinc/26/68/02/982266802.db2.gz HXFZCTJPGISKPU-QAPCUYQASA-N 1 2 355.438 2.941 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC2CC(F)(F)C2)[C@H]1C ZINC001088675371 982284018 /nfs/dbraw/zinc/28/40/18/982284018.db2.gz NADVRFPUXVYMIX-PWSUYJOCSA-N 1 2 351.235 2.909 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC2CC(F)(F)C2)[C@H]1C ZINC001088675371 982284025 /nfs/dbraw/zinc/28/40/25/982284025.db2.gz NADVRFPUXVYMIX-PWSUYJOCSA-N 1 2 351.235 2.909 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(CC)(Nc2cc[nH+]c(C)n2)CC1 ZINC001066846036 1015020718 /nfs/dbraw/zinc/02/07/18/1015020718.db2.gz XIGILFWJGXUPMI-WMZOPIPTSA-N 1 2 358.486 2.949 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)COc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000764062965 984266166 /nfs/dbraw/zinc/26/61/66/984266166.db2.gz ABRIGWYWCKCASC-AZUAARDMSA-N 1 2 371.387 2.777 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)COc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000764062965 984266172 /nfs/dbraw/zinc/26/61/72/984266172.db2.gz ABRIGWYWCKCASC-AZUAARDMSA-N 1 2 371.387 2.777 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[NH+]1CCN(c2cccc(C#N)n2)CC1)c1ccccc1 ZINC000878433656 1015042954 /nfs/dbraw/zinc/04/29/54/1015042954.db2.gz JNDOMQWZGOJKDR-QFIPXVFZSA-N 1 2 373.460 2.516 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2ccc(OC)cc2CC1 ZINC000760925044 984580833 /nfs/dbraw/zinc/58/08/33/984580833.db2.gz IPXVVJYWLSAWJF-HXUWFJFHSA-N 1 2 350.418 2.882 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2ccc(OC)cc2CC1 ZINC000760925044 984580838 /nfs/dbraw/zinc/58/08/38/984580838.db2.gz IPXVVJYWLSAWJF-HXUWFJFHSA-N 1 2 350.418 2.882 20 30 FFEDLO CCc1c(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@@H]2C)ccn1C ZINC001088859099 985066219 /nfs/dbraw/zinc/06/62/19/985066219.db2.gz LOGDXLUHUDCYBU-KUHUBIRLSA-N 1 2 368.456 2.991 20 30 FFEDLO CCc1c(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@@H]2C)ccn1C ZINC001088859099 985066229 /nfs/dbraw/zinc/06/62/29/985066229.db2.gz LOGDXLUHUDCYBU-KUHUBIRLSA-N 1 2 368.456 2.991 20 30 FFEDLO CCn1nc(C)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088877389 985267283 /nfs/dbraw/zinc/26/72/83/985267283.db2.gz NWMKYPCAXKTDNT-KDOFPFPSSA-N 1 2 369.444 2.615 20 30 FFEDLO CCn1nc(C)cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088877389 985267294 /nfs/dbraw/zinc/26/72/94/985267294.db2.gz NWMKYPCAXKTDNT-KDOFPFPSSA-N 1 2 369.444 2.615 20 30 FFEDLO COc1nc(C)ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088902742 985397149 /nfs/dbraw/zinc/39/71/49/985397149.db2.gz IQBORGQROVNAMN-BEFAXECRSA-N 1 2 364.449 2.663 20 30 FFEDLO COc1nc(C)ccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088902742 985397160 /nfs/dbraw/zinc/39/71/60/985397160.db2.gz IQBORGQROVNAMN-BEFAXECRSA-N 1 2 364.449 2.663 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)[C@@H]1C ZINC001088914228 985438818 /nfs/dbraw/zinc/43/88/18/985438818.db2.gz QSCOLMPHEIOQEB-VKZRIFJHSA-N 1 2 363.889 2.795 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)[C@@H]1C ZINC001088914228 985438823 /nfs/dbraw/zinc/43/88/23/985438823.db2.gz QSCOLMPHEIOQEB-VKZRIFJHSA-N 1 2 363.889 2.795 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H](C)c2c(C)n[nH]c2C)[C@H]1C ZINC001088926120 985483676 /nfs/dbraw/zinc/48/36/76/985483676.db2.gz JEXJXQHPGDGFMZ-HONMWMINSA-N 1 2 369.307 2.618 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2c(C)n[nH]c2C)[C@H]1C ZINC001088926120 985483680 /nfs/dbraw/zinc/48/36/80/985483680.db2.gz JEXJXQHPGDGFMZ-HONMWMINSA-N 1 2 369.307 2.618 20 30 FFEDLO N#Cc1ccc(F)c(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000888352032 985484772 /nfs/dbraw/zinc/48/47/72/985484772.db2.gz FSOPEBYXQCQOLU-QGZVFWFLSA-N 1 2 368.412 2.720 20 30 FFEDLO N#Cc1ccc(F)c(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000888352032 985484775 /nfs/dbraw/zinc/48/47/75/985484775.db2.gz FSOPEBYXQCQOLU-QGZVFWFLSA-N 1 2 368.412 2.720 20 30 FFEDLO COC(=O)c1sc(Nc2ccc[nH+]c2N2CCOCC2)c(C#N)c1C ZINC001212352019 985512457 /nfs/dbraw/zinc/51/24/57/985512457.db2.gz DKPSONKLSCFHJO-UHFFFAOYSA-N 1 2 358.423 2.690 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(F)c3F)[C@@H]2C)nc1 ZINC001088990951 985788568 /nfs/dbraw/zinc/78/85/68/985788568.db2.gz YUQPAPUSYLVJGR-DYVFJYSZSA-N 1 2 355.388 2.734 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(F)c3F)[C@@H]2C)nc1 ZINC001088990951 985788573 /nfs/dbraw/zinc/78/85/73/985788573.db2.gz YUQPAPUSYLVJGR-DYVFJYSZSA-N 1 2 355.388 2.734 20 30 FFEDLO Cc1cc(C(N)=[NH+]OCC(=O)Nc2ccc3c(c2)OCCCO3)ccc1F ZINC000063457721 985836679 /nfs/dbraw/zinc/83/66/79/985836679.db2.gz HKMKQAFEYMINHV-UHFFFAOYSA-N 1 2 373.384 2.571 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(Cl)nc3ccccn32)[C@H]1C ZINC001089024376 985983526 /nfs/dbraw/zinc/98/35/26/985983526.db2.gz YMOBEEYLTCTTRO-NEPJUHHUSA-N 1 2 353.253 2.933 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(Cl)nc3ccccn32)[C@H]1C ZINC001089024376 985983535 /nfs/dbraw/zinc/98/35/35/985983535.db2.gz YMOBEEYLTCTTRO-NEPJUHHUSA-N 1 2 353.253 2.933 20 30 FFEDLO CC[C@@H](CC(F)F)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212401509 986118812 /nfs/dbraw/zinc/11/88/12/986118812.db2.gz SWPABKRHDQMZAZ-IAOVAPTHSA-N 1 2 365.424 2.555 20 30 FFEDLO CC[C@@H](CC(F)F)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212401509 986118817 /nfs/dbraw/zinc/11/88/17/986118817.db2.gz SWPABKRHDQMZAZ-IAOVAPTHSA-N 1 2 365.424 2.555 20 30 FFEDLO C=CCn1c(C)cc(C(O)=CONC(=[NH2+])c2cccc(C(=O)OC)c2)c1C ZINC000174217735 986143699 /nfs/dbraw/zinc/14/36/99/986143699.db2.gz YDGSZYPPASNWRW-UHFFFAOYSA-N 1 2 369.421 2.597 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001007359890 1015193952 /nfs/dbraw/zinc/19/39/52/1015193952.db2.gz HGJRUOCEWPUTIM-NJYVYQBISA-N 1 2 370.468 2.739 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001007359890 1015193957 /nfs/dbraw/zinc/19/39/57/1015193957.db2.gz HGJRUOCEWPUTIM-NJYVYQBISA-N 1 2 370.468 2.739 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032673469 986430760 /nfs/dbraw/zinc/43/07/60/986430760.db2.gz SQKJMOJYLNZFID-TUFLPTIASA-N 1 2 365.477 2.715 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032673469 986430764 /nfs/dbraw/zinc/43/07/64/986430764.db2.gz SQKJMOJYLNZFID-TUFLPTIASA-N 1 2 365.477 2.715 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000730257103 986453222 /nfs/dbraw/zinc/45/32/22/986453222.db2.gz FTSSHNHOTBKBMN-KRWDZBQOSA-N 1 2 367.453 2.978 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000730257103 986453231 /nfs/dbraw/zinc/45/32/31/986453231.db2.gz FTSSHNHOTBKBMN-KRWDZBQOSA-N 1 2 367.453 2.978 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001007529905 1015291993 /nfs/dbraw/zinc/29/19/93/1015291993.db2.gz PCWQWYWYHLGAED-SUMDDJOVSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001007529905 1015292000 /nfs/dbraw/zinc/29/20/00/1015292000.db2.gz PCWQWYWYHLGAED-SUMDDJOVSA-N 1 2 359.445 2.593 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(CCNc2cc[nH+]c(C)n2)cc1 ZINC001061147564 987486149 /nfs/dbraw/zinc/48/61/49/987486149.db2.gz GYRVLTRCAVGVCT-MOPGFXCFSA-N 1 2 366.465 2.647 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H](C)C(C)(C)C ZINC001212469848 987523989 /nfs/dbraw/zinc/52/39/89/987523989.db2.gz NXMWISMYXFNKNM-MORSLUCNSA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H](C)C(C)(C)C ZINC001212469848 987523994 /nfs/dbraw/zinc/52/39/94/987523994.db2.gz NXMWISMYXFNKNM-MORSLUCNSA-N 1 2 361.461 2.695 20 30 FFEDLO C=CCn1c(=S)n(C[N@H+](C[C@@H]2CCOC2)C2CC2)nc1-c1cnccn1 ZINC000153020886 987587408 /nfs/dbraw/zinc/58/74/08/987587408.db2.gz KVFVSNPNDCKYJI-AWEZNQCLSA-N 1 2 372.498 2.515 20 30 FFEDLO C=CCn1c(=S)n(C[N@@H+](C[C@@H]2CCOC2)C2CC2)nc1-c1cnccn1 ZINC000153020886 987587409 /nfs/dbraw/zinc/58/74/09/987587409.db2.gz KVFVSNPNDCKYJI-AWEZNQCLSA-N 1 2 372.498 2.515 20 30 FFEDLO N#Cc1cccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1Br ZINC001127311014 987806093 /nfs/dbraw/zinc/80/60/93/987806093.db2.gz NTSDEOKSCVCOBM-CYBMUJFWSA-N 1 2 371.238 2.724 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001003783288 988292347 /nfs/dbraw/zinc/29/23/47/988292347.db2.gz ZSUPYJLCFWTUMY-PMACEKPBSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3[nH+]ccn31)C2 ZINC001004076913 988530020 /nfs/dbraw/zinc/53/00/20/988530020.db2.gz QJEXNFVKCWAFTG-PTDBIEIZSA-N 1 2 366.465 2.798 20 30 FFEDLO CC(C)OCc1ccccc1CNC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000762666916 988567997 /nfs/dbraw/zinc/56/79/97/988567997.db2.gz YWFKTVRNPPPHIE-UHFFFAOYSA-N 1 2 373.428 2.704 20 30 FFEDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1cccc(F)c1 ZINC000763232969 989246768 /nfs/dbraw/zinc/24/67/68/989246768.db2.gz JKPLCWMTLJKCAC-RTBURBONSA-N 1 2 350.397 2.843 20 30 FFEDLO C[C@@]1(CNC(=O)C[C@@H]2C[C@H]2C2CC2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108089569 989288209 /nfs/dbraw/zinc/28/82/09/989288209.db2.gz KWJQXVLWHXWSPO-JAXLGGSGSA-N 1 2 367.493 2.702 20 30 FFEDLO C[C@@]1(CNC(=O)C[C@@H]2C[C@H]2C2CC2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108089569 989288218 /nfs/dbraw/zinc/28/82/18/989288218.db2.gz KWJQXVLWHXWSPO-JAXLGGSGSA-N 1 2 367.493 2.702 20 30 FFEDLO C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000673841952 989325709 /nfs/dbraw/zinc/32/57/09/989325709.db2.gz NOJMMJSAYDHIEP-INIZCTEOSA-N 1 2 365.437 2.700 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001108156232 990251461 /nfs/dbraw/zinc/25/14/61/990251461.db2.gz BCQBBMLYEXMDOY-HFTRVMKXSA-N 1 2 358.486 2.950 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)ccc2F)C[C@@H]1n1ccnn1 ZINC001129030137 990317275 /nfs/dbraw/zinc/31/72/75/990317275.db2.gz RMUIHHKMPBZSET-MOPGFXCFSA-N 1 2 371.460 2.624 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ccc2F)C[C@@H]1n1ccnn1 ZINC001129030137 990317281 /nfs/dbraw/zinc/31/72/81/990317281.db2.gz RMUIHHKMPBZSET-MOPGFXCFSA-N 1 2 371.460 2.624 20 30 FFEDLO CO[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@H]1NC(=O)C#CC(C)C ZINC001212230994 990322971 /nfs/dbraw/zinc/32/29/71/990322971.db2.gz HIKWVMDWGMQVEZ-FSPWUOQZSA-N 1 2 350.409 2.501 20 30 FFEDLO CO[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@H]1NC(=O)C#CC(C)C ZINC001212230994 990322975 /nfs/dbraw/zinc/32/29/75/990322975.db2.gz HIKWVMDWGMQVEZ-FSPWUOQZSA-N 1 2 350.409 2.501 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(C(C)C)n1 ZINC001062034298 990667654 /nfs/dbraw/zinc/66/76/54/990667654.db2.gz SJUJPLBAZAQXKG-XDNAFOTISA-N 1 2 370.497 2.679 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]c(C(C)C)n1 ZINC001062596080 990727911 /nfs/dbraw/zinc/72/79/11/990727911.db2.gz MJTWBXTWNPCQRJ-DWRORGKVSA-N 1 2 370.497 2.679 20 30 FFEDLO C[C@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC(C)(C)O1 ZINC000920866599 990928639 /nfs/dbraw/zinc/92/86/39/990928639.db2.gz RBHXOWMSHPJAKG-ZFWWWQNUSA-N 1 2 350.422 2.723 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC(C)(C)O1 ZINC000920866599 990928646 /nfs/dbraw/zinc/92/86/46/990928646.db2.gz RBHXOWMSHPJAKG-ZFWWWQNUSA-N 1 2 350.422 2.723 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000923579696 991281058 /nfs/dbraw/zinc/28/10/58/991281058.db2.gz STSMKJVTIYKEMC-GOSISDBHSA-N 1 2 363.417 2.558 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000923579696 991281065 /nfs/dbraw/zinc/28/10/65/991281065.db2.gz STSMKJVTIYKEMC-GOSISDBHSA-N 1 2 363.417 2.558 20 30 FFEDLO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@H]1c1cccc(F)c1 ZINC001079175150 991848848 /nfs/dbraw/zinc/84/88/48/991848848.db2.gz YIXKXWXMRONGKF-DOTOQJQBSA-N 1 2 362.836 2.808 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C)n1cccn1 ZINC001079446448 992123167 /nfs/dbraw/zinc/12/31/67/992123167.db2.gz ZTGHJMJXGCDJKF-JTDSTZFVSA-N 1 2 370.884 2.586 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C)n1cccn1 ZINC001079446448 992123174 /nfs/dbraw/zinc/12/31/74/992123174.db2.gz ZTGHJMJXGCDJKF-JTDSTZFVSA-N 1 2 370.884 2.586 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001079724750 992360773 /nfs/dbraw/zinc/36/07/73/992360773.db2.gz BKGFOGIAXFYKNP-ZYHUDNBSSA-N 1 2 369.307 2.666 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001079724750 992360784 /nfs/dbraw/zinc/36/07/84/992360784.db2.gz BKGFOGIAXFYKNP-ZYHUDNBSSA-N 1 2 369.307 2.666 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2nc3ccccc3o2)C1 ZINC001031987512 992521070 /nfs/dbraw/zinc/52/10/70/992521070.db2.gz QXPSKOAFPNAITL-UNEWFSDZSA-N 1 2 355.438 2.528 20 30 FFEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3c3ccco3)C2)c1 ZINC001031994043 992543849 /nfs/dbraw/zinc/54/38/49/992543849.db2.gz JNWZVYROQYXROZ-IAGOWNOFSA-N 1 2 353.397 2.642 20 30 FFEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000967650017 1015720592 /nfs/dbraw/zinc/72/05/92/1015720592.db2.gz ZCNGMXFSQGMIQF-BRWVUGGUSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000967650017 1015720599 /nfs/dbraw/zinc/72/05/99/1015720599.db2.gz ZCNGMXFSQGMIQF-BRWVUGGUSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)C1 ZINC001080012066 992649115 /nfs/dbraw/zinc/64/91/15/992649115.db2.gz PINFWJMIJVNGRY-HYSWKAIVSA-N 1 2 350.894 2.965 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)C1 ZINC001080012066 992649117 /nfs/dbraw/zinc/64/91/17/992649117.db2.gz PINFWJMIJVNGRY-HYSWKAIVSA-N 1 2 350.894 2.965 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008838479 1015725864 /nfs/dbraw/zinc/72/58/64/1015725864.db2.gz GRNWQUITPFAKSU-ACRUOGEOSA-N 1 2 370.468 2.739 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008838479 1015725871 /nfs/dbraw/zinc/72/58/71/1015725871.db2.gz GRNWQUITPFAKSU-ACRUOGEOSA-N 1 2 370.468 2.739 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000942851597 992808566 /nfs/dbraw/zinc/80/85/66/992808566.db2.gz PCZMXMUCOAUPKN-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000942851597 992808570 /nfs/dbraw/zinc/80/85/70/992808570.db2.gz PCZMXMUCOAUPKN-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[C@@H](C(F)(F)F)O1 ZINC000880060389 1015744568 /nfs/dbraw/zinc/74/45/68/1015744568.db2.gz UUGZCVAOGGNWPK-WQVCFCJDSA-N 1 2 367.371 2.705 20 30 FFEDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[C@@H](C(F)(F)F)O1 ZINC000880060389 1015744576 /nfs/dbraw/zinc/74/45/76/1015744576.db2.gz UUGZCVAOGGNWPK-WQVCFCJDSA-N 1 2 367.371 2.705 20 30 FFEDLO COc1csc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)c1 ZINC001080249934 992888854 /nfs/dbraw/zinc/88/88/54/992888854.db2.gz JXSLALJBERMANC-CXAGYDPISA-N 1 2 355.463 2.879 20 30 FFEDLO COc1csc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)c1 ZINC001080249934 992888861 /nfs/dbraw/zinc/88/88/61/992888861.db2.gz JXSLALJBERMANC-CXAGYDPISA-N 1 2 355.463 2.879 20 30 FFEDLO Cc1ncccc1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001080356897 992957577 /nfs/dbraw/zinc/95/75/77/992957577.db2.gz NFHJMFZSGCTJOG-BFUOFWGJSA-N 1 2 352.413 2.651 20 30 FFEDLO Cc1ncccc1C(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001080356897 992957584 /nfs/dbraw/zinc/95/75/84/992957584.db2.gz NFHJMFZSGCTJOG-BFUOFWGJSA-N 1 2 352.413 2.651 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001080598692 993217024 /nfs/dbraw/zinc/21/70/24/993217024.db2.gz PNJQXFQDLHITIL-VUNQQRPYSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001080598692 993217031 /nfs/dbraw/zinc/21/70/31/993217031.db2.gz PNJQXFQDLHITIL-VUNQQRPYSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(F)cccc2F)C[C@H]1C ZINC001080598551 993217399 /nfs/dbraw/zinc/21/73/99/993217399.db2.gz IAHZLDQAVQJTHH-CFGMGRTJSA-N 1 2 364.436 2.883 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(F)cccc2F)C[C@H]1C ZINC001080598551 993217408 /nfs/dbraw/zinc/21/74/08/993217408.db2.gz IAHZLDQAVQJTHH-CFGMGRTJSA-N 1 2 364.436 2.883 20 30 FFEDLO CO[C@@]1(C(F)(F)F)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000880302679 1015802098 /nfs/dbraw/zinc/80/20/98/1015802098.db2.gz ALBFGJSNDVHREE-PBHICJAKSA-N 1 2 369.387 2.975 20 30 FFEDLO CO[C@@]1(C(F)(F)F)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000880302679 1015802107 /nfs/dbraw/zinc/80/21/07/1015802107.db2.gz ALBFGJSNDVHREE-PBHICJAKSA-N 1 2 369.387 2.975 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)[C@@H](C)C1CC1 ZINC001081499319 993855295 /nfs/dbraw/zinc/85/52/95/993855295.db2.gz BACAEJJRGAEGJF-GDIGMMSISA-N 1 2 360.885 2.553 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)[C@@H](C)C1CC1 ZINC001081499319 993855299 /nfs/dbraw/zinc/85/52/99/993855299.db2.gz BACAEJJRGAEGJF-GDIGMMSISA-N 1 2 360.885 2.553 20 30 FFEDLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)C3 ZINC000880367800 1015817605 /nfs/dbraw/zinc/81/76/05/1015817605.db2.gz RALQSFXCVRQVRL-OAHLLOKOSA-N 1 2 369.465 2.606 20 30 FFEDLO COc1ccc2[nH]c3c(c2c1)CC[N@H+](C[C@H](O)CC1(C#N)CCOCC1)C3 ZINC000880367800 1015817598 /nfs/dbraw/zinc/81/75/98/1015817598.db2.gz RALQSFXCVRQVRL-OAHLLOKOSA-N 1 2 369.465 2.606 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@]1(C)CC=CCC1 ZINC001081730540 993940850 /nfs/dbraw/zinc/94/08/50/993940850.db2.gz LEGSYDOZRYNZST-KCZVDYSFSA-N 1 2 370.468 2.739 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@]1(C)CC=CCC1 ZINC001081730540 993940857 /nfs/dbraw/zinc/94/08/57/993940857.db2.gz LEGSYDOZRYNZST-KCZVDYSFSA-N 1 2 370.468 2.739 20 30 FFEDLO C#CCCS(=O)(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000808302965 994089317 /nfs/dbraw/zinc/08/93/17/994089317.db2.gz NROJHXWMTKVCSY-UHFFFAOYSA-N 1 2 366.486 2.727 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1(C)CCCCC1 ZINC001082096012 994152387 /nfs/dbraw/zinc/15/23/87/994152387.db2.gz TYWHBTZZYZZWBO-IAGOWNOFSA-N 1 2 361.511 2.906 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1(C)CCCCC1 ZINC001082096012 994152390 /nfs/dbraw/zinc/15/23/90/994152390.db2.gz TYWHBTZZYZZWBO-IAGOWNOFSA-N 1 2 361.511 2.906 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2OC)CC1 ZINC001082097011 994155109 /nfs/dbraw/zinc/15/51/09/994155109.db2.gz PVPXFUSYSXSVGC-WOJBJXKFSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2OC)CC1 ZINC001082097011 994155115 /nfs/dbraw/zinc/15/51/15/994155115.db2.gz PVPXFUSYSXSVGC-WOJBJXKFSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1CC12CCCC2 ZINC001082302706 994350253 /nfs/dbraw/zinc/35/02/53/994350253.db2.gz SVZKDKOWGVLXEH-BHIYHBOVSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1CC12CCCC2 ZINC001082302706 994350262 /nfs/dbraw/zinc/35/02/62/994350262.db2.gz SVZKDKOWGVLXEH-BHIYHBOVSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ccc(C)cc1C ZINC001082353972 994426516 /nfs/dbraw/zinc/42/65/16/994426516.db2.gz XNSFPKIIGCOQGR-RTBURBONSA-N 1 2 369.490 2.866 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ccc(C)cc1C ZINC001082353972 994426521 /nfs/dbraw/zinc/42/65/21/994426521.db2.gz XNSFPKIIGCOQGR-RTBURBONSA-N 1 2 369.490 2.866 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2nc(C3CC3)no2)C1 ZINC001082560739 994937780 /nfs/dbraw/zinc/93/77/80/994937780.db2.gz RFUODDIBLZSVGV-IIAWOOMASA-N 1 2 369.469 2.746 20 30 FFEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001054047338 1015931255 /nfs/dbraw/zinc/93/12/55/1015931255.db2.gz ZUNDWXMJWDGPGF-VWPQPMDRSA-N 1 2 352.478 2.512 20 30 FFEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001054047338 1015931263 /nfs/dbraw/zinc/93/12/63/1015931263.db2.gz ZUNDWXMJWDGPGF-VWPQPMDRSA-N 1 2 352.478 2.512 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001098008692 1015931439 /nfs/dbraw/zinc/93/14/39/1015931439.db2.gz ZKTVUINDILZXEJ-RMMWZPCPSA-N 1 2 373.472 2.814 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001098008692 1015931449 /nfs/dbraw/zinc/93/14/49/1015931449.db2.gz ZKTVUINDILZXEJ-RMMWZPCPSA-N 1 2 373.472 2.814 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(CCC(C)C)no3)C2)C1 ZINC001082729281 995371472 /nfs/dbraw/zinc/37/14/72/995371472.db2.gz LSFFQNJTBJPCLX-HZPDHXFCSA-N 1 2 360.502 2.951 20 30 FFEDLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@@H]1COC(=O)/C=C\c1ccccc1C#N ZINC000747795328 995467279 /nfs/dbraw/zinc/46/72/79/995467279.db2.gz KXFCLVXQMFZGIA-RXQFDZFGSA-N 1 2 370.449 2.921 20 30 FFEDLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@@H]1COC(=O)/C=C\c1ccccc1C#N ZINC000747795328 995467285 /nfs/dbraw/zinc/46/72/85/995467285.db2.gz KXFCLVXQMFZGIA-RXQFDZFGSA-N 1 2 370.449 2.921 20 30 FFEDLO C#C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000812876591 995557618 /nfs/dbraw/zinc/55/76/18/995557618.db2.gz IAVYYKHXESMIDE-SFHVURJKSA-N 1 2 352.413 2.863 20 30 FFEDLO Cc1cc(C)c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)c(C)c1 ZINC001084030942 996209959 /nfs/dbraw/zinc/20/99/59/996209959.db2.gz LHCWMVXLFKBFQQ-MSOLQXFVSA-N 1 2 369.490 2.520 20 30 FFEDLO Cc1cc(C)c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)c(C)c1 ZINC001084030942 996209966 /nfs/dbraw/zinc/20/99/66/996209966.db2.gz LHCWMVXLFKBFQQ-MSOLQXFVSA-N 1 2 369.490 2.520 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C)[C@@H]2C1 ZINC001084190121 996322268 /nfs/dbraw/zinc/32/22/68/996322268.db2.gz RUNAFDBJJKRWGN-SJLPKXTDSA-N 1 2 365.433 2.815 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C)[C@@H]2C1 ZINC001084190121 996322274 /nfs/dbraw/zinc/32/22/74/996322274.db2.gz RUNAFDBJJKRWGN-SJLPKXTDSA-N 1 2 365.433 2.815 20 30 FFEDLO Cc1cccnc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084263459 996409116 /nfs/dbraw/zinc/40/91/16/996409116.db2.gz GSRRQMRXVYHTRS-IEBWSBKVSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cccnc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084263459 996409118 /nfs/dbraw/zinc/40/91/18/996409118.db2.gz GSRRQMRXVYHTRS-IEBWSBKVSA-N 1 2 364.424 2.747 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[C@@H]4CCOC4)[C@@H]3C2)c1 ZINC001084268415 996413218 /nfs/dbraw/zinc/41/32/18/996413218.db2.gz PVXPCIDJMQRLMU-WRWLIDTKSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)CC[C@@H]4CCOC4)[C@@H]3C2)c1 ZINC001084268415 996413220 /nfs/dbraw/zinc/41/32/20/996413220.db2.gz PVXPCIDJMQRLMU-WRWLIDTKSA-N 1 2 371.456 2.547 20 30 FFEDLO O=C(c1cncc(F)c1)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084273962 996420496 /nfs/dbraw/zinc/42/04/96/996420496.db2.gz ZNPOCUPAXWHIAD-OXQOHEQNSA-N 1 2 367.399 2.558 20 30 FFEDLO O=C(c1cncc(F)c1)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084273962 996420499 /nfs/dbraw/zinc/42/04/99/996420499.db2.gz ZNPOCUPAXWHIAD-OXQOHEQNSA-N 1 2 367.399 2.558 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4ccoc4)[C@@H]3C2)c(F)c1 ZINC001084300843 996432089 /nfs/dbraw/zinc/43/20/89/996432089.db2.gz TYTCIMUOWZNOEA-IEBWSBKVSA-N 1 2 353.397 2.566 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4ccoc4)[C@@H]3C2)c(F)c1 ZINC001084300843 996432092 /nfs/dbraw/zinc/43/20/92/996432092.db2.gz TYTCIMUOWZNOEA-IEBWSBKVSA-N 1 2 353.397 2.566 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)ns1 ZINC001084308333 996440067 /nfs/dbraw/zinc/44/00/67/996440067.db2.gz QBUDRYWEEUQMLC-VQIMIIECSA-N 1 2 369.465 2.789 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)ns1 ZINC001084308333 996440071 /nfs/dbraw/zinc/44/00/71/996440071.db2.gz QBUDRYWEEUQMLC-VQIMIIECSA-N 1 2 369.465 2.789 20 30 FFEDLO Cc1cc[nH]c1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084318158 996450282 /nfs/dbraw/zinc/45/02/82/996450282.db2.gz LXTADRAXDCQXLJ-SJLPKXTDSA-N 1 2 352.413 2.680 20 30 FFEDLO Cc1cc[nH]c1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084318158 996450283 /nfs/dbraw/zinc/45/02/83/996450283.db2.gz LXTADRAXDCQXLJ-SJLPKXTDSA-N 1 2 352.413 2.680 20 30 FFEDLO Cc1cnccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084328045 996458238 /nfs/dbraw/zinc/45/82/38/996458238.db2.gz LGIURQCQLKYJQC-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cnccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084328045 996458243 /nfs/dbraw/zinc/45/82/43/996458243.db2.gz LGIURQCQLKYJQC-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO O=C(c1cnco1)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084558408 996677311 /nfs/dbraw/zinc/67/73/11/996677311.db2.gz PQXDKIJPJUDIGR-NVXWUHKLSA-N 1 2 355.825 2.526 20 30 FFEDLO O=C(c1cnco1)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084558408 996677315 /nfs/dbraw/zinc/67/73/15/996677315.db2.gz PQXDKIJPJUDIGR-NVXWUHKLSA-N 1 2 355.825 2.526 20 30 FFEDLO COc1csc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)c1 ZINC001084570174 996682868 /nfs/dbraw/zinc/68/28/68/996682868.db2.gz YTSPHGKHTIQXKF-IEBWSBKVSA-N 1 2 366.486 2.955 20 30 FFEDLO COc1csc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)c1 ZINC001084570174 996682870 /nfs/dbraw/zinc/68/28/70/996682870.db2.gz YTSPHGKHTIQXKF-IEBWSBKVSA-N 1 2 366.486 2.955 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)c3ccccc3)C[C@H]21 ZINC001084634693 996748045 /nfs/dbraw/zinc/74/80/45/996748045.db2.gz AVZSLBMVJONMDK-SFGWALBWSA-N 1 2 369.509 2.784 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)c3ccccc3)C[C@H]21 ZINC001084634693 996748049 /nfs/dbraw/zinc/74/80/49/996748049.db2.gz AVZSLBMVJONMDK-SFGWALBWSA-N 1 2 369.509 2.784 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ocnc4C4CC4)[C@@H]3C2)s1 ZINC001084660367 996777285 /nfs/dbraw/zinc/77/72/85/996777285.db2.gz DDPZIVAHLSZFPJ-CZUORRHYSA-N 1 2 368.462 2.832 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ocnc4C4CC4)[C@@H]3C2)s1 ZINC001084660367 996777290 /nfs/dbraw/zinc/77/72/90/996777290.db2.gz DDPZIVAHLSZFPJ-CZUORRHYSA-N 1 2 368.462 2.832 20 30 FFEDLO CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)CCOCC1 ZINC001084744455 997168230 /nfs/dbraw/zinc/16/82/30/997168230.db2.gz JOVITZNRIFXWOP-WOJBJXKFSA-N 1 2 367.493 2.798 20 30 FFEDLO CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)CCOCC1 ZINC001084744455 997168264 /nfs/dbraw/zinc/16/82/64/997168264.db2.gz JOVITZNRIFXWOP-WOJBJXKFSA-N 1 2 367.493 2.798 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cnn(-c3ccccc3)c2C(F)F)CC1 ZINC000825077552 997207685 /nfs/dbraw/zinc/20/76/85/997207685.db2.gz AFMWPHQZQSKGRQ-UHFFFAOYSA-N 1 2 358.392 2.591 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3nocc3C)C[C@H]21)c1ccccc1 ZINC001084846867 997630042 /nfs/dbraw/zinc/63/00/42/997630042.db2.gz AVNKYMWLZLGXKF-WSTZPKSXSA-N 1 2 351.450 2.986 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3nocc3C)C[C@H]21)c1ccccc1 ZINC001084846867 997630051 /nfs/dbraw/zinc/63/00/51/997630051.db2.gz AVNKYMWLZLGXKF-WSTZPKSXSA-N 1 2 351.450 2.986 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(OCC4CC4)nc3)[C@@H]2C1 ZINC001084852034 997647244 /nfs/dbraw/zinc/64/72/44/997647244.db2.gz CNQDHUSBHOHKRP-IAGOWNOFSA-N 1 2 361.873 2.769 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(OCC4CC4)nc3)[C@@H]2C1 ZINC001084852034 997647252 /nfs/dbraw/zinc/64/72/52/997647252.db2.gz CNQDHUSBHOHKRP-IAGOWNOFSA-N 1 2 361.873 2.769 20 30 FFEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001206096016 1032140860 /nfs/dbraw/zinc/14/08/60/1032140860.db2.gz KSDFWDCKEWJXRH-MGPQQGTHSA-N 1 2 364.515 2.726 20 30 FFEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001206096016 1032140865 /nfs/dbraw/zinc/14/08/65/1032140865.db2.gz KSDFWDCKEWJXRH-MGPQQGTHSA-N 1 2 364.515 2.726 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1NC(=O)CSCC#N ZINC001206095595 1032141315 /nfs/dbraw/zinc/14/13/15/1032141315.db2.gz AFCFQJOUWDMJIP-RHSMWYFYSA-N 1 2 370.478 2.535 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1NC(=O)CSCC#N ZINC001206095595 1032141324 /nfs/dbraw/zinc/14/13/24/1032141324.db2.gz AFCFQJOUWDMJIP-RHSMWYFYSA-N 1 2 370.478 2.535 20 30 FFEDLO CCOc1ccccc1NC(=O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844368114 997844099 /nfs/dbraw/zinc/84/40/99/997844099.db2.gz ROSGETSDFJWDIL-SFHVURJKSA-N 1 2 353.422 2.561 20 30 FFEDLO CCOc1ccccc1NC(=O)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844368114 997844107 /nfs/dbraw/zinc/84/41/07/997844107.db2.gz ROSGETSDFJWDIL-SFHVURJKSA-N 1 2 353.422 2.561 20 30 FFEDLO CS[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001084893641 997920725 /nfs/dbraw/zinc/92/07/25/997920725.db2.gz IXOAARLLCZQGRX-IYOUNJFTSA-N 1 2 361.486 2.872 20 30 FFEDLO CS[C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001084893641 997920735 /nfs/dbraw/zinc/92/07/35/997920735.db2.gz IXOAARLLCZQGRX-IYOUNJFTSA-N 1 2 361.486 2.872 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001090964325 997975039 /nfs/dbraw/zinc/97/50/39/997975039.db2.gz FQDLKXBKDZKGPG-FRFSOERESA-N 1 2 358.486 2.902 20 30 FFEDLO C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1Nc1cccc(F)c1C#N ZINC001090987769 998012753 /nfs/dbraw/zinc/01/27/53/998012753.db2.gz KKTAKBBHMOFOJY-RDTXWAMCSA-N 1 2 355.417 2.633 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@@H+](C/C(Cl)=C\Cl)[C@H]3C2)c1 ZINC001084915387 998070964 /nfs/dbraw/zinc/07/09/64/998070964.db2.gz XIEAVIGDZOYSKO-QPSCNRCWSA-N 1 2 353.253 2.742 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@H+](C/C(Cl)=C\Cl)[C@H]3C2)c1 ZINC001084915387 998070973 /nfs/dbraw/zinc/07/09/73/998070973.db2.gz XIEAVIGDZOYSKO-QPSCNRCWSA-N 1 2 353.253 2.742 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCO3)C[C@@H]21 ZINC001084920952 998077361 /nfs/dbraw/zinc/07/73/61/998077361.db2.gz DMZHMZJEFGEQPF-XPGWFJOJSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCO3)C[C@@H]21 ZINC001084920952 998077371 /nfs/dbraw/zinc/07/73/71/998077371.db2.gz DMZHMZJEFGEQPF-XPGWFJOJSA-N 1 2 371.456 2.689 20 30 FFEDLO CC(C)C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(C#N)nc2)C1)n1cc[nH+]c1 ZINC001091009133 998172404 /nfs/dbraw/zinc/17/24/04/998172404.db2.gz WROPAPGNNTXVPJ-LZQZEXGQSA-N 1 2 366.469 2.696 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3cncs3)C[C@@H]21 ZINC001084965420 998405228 /nfs/dbraw/zinc/40/52/28/998405228.db2.gz NSCBLEZENWNTLS-OCCSQVGLSA-N 1 2 370.316 2.517 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3cncs3)C[C@@H]21 ZINC001084965420 998405236 /nfs/dbraw/zinc/40/52/36/998405236.db2.gz NSCBLEZENWNTLS-OCCSQVGLSA-N 1 2 370.316 2.517 20 30 FFEDLO C[C@H](CC(=O)OCC(=O)N(CCC#N)c1cccc(Cl)c1)n1cc[nH+]c1 ZINC000845278377 998462703 /nfs/dbraw/zinc/46/27/03/998462703.db2.gz NVNZRGFQVVNAIM-CQSZACIVSA-N 1 2 374.828 2.978 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3cn(CC4CC4)nn3)[C@H]2C1 ZINC001085024057 998701298 /nfs/dbraw/zinc/70/12/98/998701298.db2.gz RFSOTPPNXQQPHS-LMNJBCLMSA-N 1 2 371.529 2.713 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(CC4CC4)nn3)[C@H]2C1 ZINC001085024057 998701300 /nfs/dbraw/zinc/70/13/00/998701300.db2.gz RFSOTPPNXQQPHS-LMNJBCLMSA-N 1 2 371.529 2.713 20 30 FFEDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000733797094 999080659 /nfs/dbraw/zinc/08/06/59/999080659.db2.gz PMSGLDGKGMOERB-SJORKVTESA-N 1 2 364.449 2.971 20 30 FFEDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000733797094 999080664 /nfs/dbraw/zinc/08/06/64/999080664.db2.gz PMSGLDGKGMOERB-SJORKVTESA-N 1 2 364.449 2.971 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085600727 999583283 /nfs/dbraw/zinc/58/32/83/999583283.db2.gz AOWHNYDNZKKYQS-WBAXXEDZSA-N 1 2 361.511 2.714 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085600727 999583285 /nfs/dbraw/zinc/58/32/85/999583285.db2.gz AOWHNYDNZKKYQS-WBAXXEDZSA-N 1 2 361.511 2.714 20 30 FFEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085718904 999613656 /nfs/dbraw/zinc/61/36/56/999613656.db2.gz DBPBYGYDRWLSSN-VWPQPMDRSA-N 1 2 370.468 2.669 20 30 FFEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085718904 999613658 /nfs/dbraw/zinc/61/36/58/999613658.db2.gz DBPBYGYDRWLSSN-VWPQPMDRSA-N 1 2 370.468 2.669 20 30 FFEDLO CC[N@H+](C)[C@H](C(=O)OCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000741150819 999711842 /nfs/dbraw/zinc/71/18/42/999711842.db2.gz NSXWXOYHWRHHKQ-SFHVURJKSA-N 1 2 357.454 2.565 20 30 FFEDLO CC[N@@H+](C)[C@H](C(=O)OCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000741150819 999711844 /nfs/dbraw/zinc/71/18/44/999711844.db2.gz NSXWXOYHWRHHKQ-SFHVURJKSA-N 1 2 357.454 2.565 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066380683 999754099 /nfs/dbraw/zinc/75/40/99/999754099.db2.gz MOUHPSRHSQQAKP-KZNAEPCWSA-N 1 2 370.497 2.594 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066380683 999754101 /nfs/dbraw/zinc/75/41/01/999754101.db2.gz MOUHPSRHSQQAKP-KZNAEPCWSA-N 1 2 370.497 2.594 20 30 FFEDLO Cn1cc[nH+]c1C[C@H](NC(=O)COc1cccc(C#N)c1)c1ccccc1 ZINC000742858778 999791495 /nfs/dbraw/zinc/79/14/95/999791495.db2.gz ODJYPUIKYSXJRR-IBGZPJMESA-N 1 2 360.417 2.771 20 30 FFEDLO CCc1ccc(N2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)cc1 ZINC000743868258 999834367 /nfs/dbraw/zinc/83/43/67/999834367.db2.gz YOKKLVKWMZFZFF-UHFFFAOYSA-N 1 2 362.477 2.559 20 30 FFEDLO CC(C)(C)NC(=O)CO[NH+]=C(N)c1ccc(COc2ccccc2F)cc1 ZINC000745450939 999914754 /nfs/dbraw/zinc/91/47/54/999914754.db2.gz WBBKZOZVACGXTJ-UHFFFAOYSA-N 1 2 373.428 2.956 20 30 FFEDLO N#Cc1cccnc1N[C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001049981531 1016371275 /nfs/dbraw/zinc/37/12/75/1016371275.db2.gz KCJUVLNCBRKODI-GVDBMIGSSA-N 1 2 364.453 2.663 20 30 FFEDLO N#Cc1cccnc1N[C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001049981531 1016371281 /nfs/dbraw/zinc/37/12/81/1016371281.db2.gz KCJUVLNCBRKODI-GVDBMIGSSA-N 1 2 364.453 2.663 20 30 FFEDLO CC[C@@H](C1CCOCC1)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000746390556 999985297 /nfs/dbraw/zinc/98/52/97/999985297.db2.gz JQLMALSWDBHBJO-HNNXBMFYSA-N 1 2 368.481 2.851 20 30 FFEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 ZINC000746457612 999994102 /nfs/dbraw/zinc/99/41/02/999994102.db2.gz MKOCBECEZFUVPT-UHFFFAOYSA-N 1 2 363.461 2.819 20 30 FFEDLO C#CC[N@H+](CC)CC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 ZINC000746457612 999994103 /nfs/dbraw/zinc/99/41/03/999994103.db2.gz MKOCBECEZFUVPT-UHFFFAOYSA-N 1 2 363.461 2.819 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccc3c(=O)o1)C2 ZINC001095472957 1016380100 /nfs/dbraw/zinc/38/01/00/1016380100.db2.gz YVZMQJOXGZPFSU-KBMXLJTQSA-N 1 2 358.825 2.881 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccc3c(=O)o1)C2 ZINC001095472957 1016380112 /nfs/dbraw/zinc/38/01/12/1016380112.db2.gz YVZMQJOXGZPFSU-KBMXLJTQSA-N 1 2 358.825 2.881 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1COc3ccccc3O1)C2 ZINC001095474836 1016385071 /nfs/dbraw/zinc/38/50/71/1016385071.db2.gz DCQLFEUSZCTUQK-UGUYLWEFSA-N 1 2 362.857 2.691 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1COc3ccccc3O1)C2 ZINC001095474836 1016385080 /nfs/dbraw/zinc/38/50/80/1016385080.db2.gz DCQLFEUSZCTUQK-UGUYLWEFSA-N 1 2 362.857 2.691 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC001109042940 1000154720 /nfs/dbraw/zinc/15/47/20/1000154720.db2.gz GZARAZCAXAHOIG-VLQPXKRTSA-N 1 2 373.472 2.691 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC001109042940 1000154722 /nfs/dbraw/zinc/15/47/22/1000154722.db2.gz GZARAZCAXAHOIG-VLQPXKRTSA-N 1 2 373.472 2.691 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cc(C)ccc1C ZINC001109043666 1000155112 /nfs/dbraw/zinc/15/51/12/1000155112.db2.gz XBNTVWYBJHQKQC-NEWSRXKRSA-N 1 2 355.482 2.930 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cc(C)ccc1C ZINC001109043666 1000155113 /nfs/dbraw/zinc/15/51/13/1000155113.db2.gz XBNTVWYBJHQKQC-NEWSRXKRSA-N 1 2 355.482 2.930 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)nc1 ZINC001109037774 1000157325 /nfs/dbraw/zinc/15/73/25/1000157325.db2.gz GBTUAAHVIZJQFS-SIXLDLHFSA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)nc1 ZINC001109037774 1000157327 /nfs/dbraw/zinc/15/73/27/1000157327.db2.gz GBTUAAHVIZJQFS-SIXLDLHFSA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)c1cccs1 ZINC001109058348 1000160849 /nfs/dbraw/zinc/16/08/49/1000160849.db2.gz FQYWCAFBQRAMJU-FZKCQIBNSA-N 1 2 361.511 2.613 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)c1cccs1 ZINC001109058348 1000160850 /nfs/dbraw/zinc/16/08/50/1000160850.db2.gz FQYWCAFBQRAMJU-FZKCQIBNSA-N 1 2 361.511 2.613 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)nc1 ZINC001109120395 1000169851 /nfs/dbraw/zinc/16/98/51/1000169851.db2.gz QOSOGLPRNQLQFC-IKGGRYGDSA-N 1 2 363.889 2.939 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)nc1 ZINC001109120395 1000169853 /nfs/dbraw/zinc/16/98/53/1000169853.db2.gz QOSOGLPRNQLQFC-IKGGRYGDSA-N 1 2 363.889 2.939 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1noc2c1CCCC2 ZINC001109120084 1000169971 /nfs/dbraw/zinc/16/99/71/1000169971.db2.gz BIOTWNKDAMYJIK-AYBZRNKSSA-N 1 2 373.497 2.758 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1noc2c1CCCC2 ZINC001109120084 1000169972 /nfs/dbraw/zinc/16/99/72/1000169972.db2.gz BIOTWNKDAMYJIK-AYBZRNKSSA-N 1 2 373.497 2.758 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)n1 ZINC001109120564 1000170193 /nfs/dbraw/zinc/17/01/93/1000170193.db2.gz ZIXCNLUBAYFDHT-IKGGRYGDSA-N 1 2 363.889 2.939 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)n1 ZINC001109120564 1000170196 /nfs/dbraw/zinc/17/01/96/1000170196.db2.gz ZIXCNLUBAYFDHT-IKGGRYGDSA-N 1 2 363.889 2.939 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H](C)CC)C3)c1 ZINC001109205372 1000185960 /nfs/dbraw/zinc/18/59/60/1000185960.db2.gz BKIRULGUDFFWPX-XCLNPWKQSA-N 1 2 367.493 2.764 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H](C)CC)C3)c1 ZINC001109205372 1000185961 /nfs/dbraw/zinc/18/59/61/1000185961.db2.gz BKIRULGUDFFWPX-XCLNPWKQSA-N 1 2 367.493 2.764 20 30 FFEDLO COc1ccc(Cl)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109259517 1000204243 /nfs/dbraw/zinc/20/42/43/1000204243.db2.gz GXZYLIUQMDCLJD-SQNIBIBYSA-N 1 2 358.869 2.984 20 30 FFEDLO COc1ccc(Cl)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109259517 1000204247 /nfs/dbraw/zinc/20/42/47/1000204247.db2.gz GXZYLIUQMDCLJD-SQNIBIBYSA-N 1 2 358.869 2.984 20 30 FFEDLO Cc1nn(C)c(Cl)c1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109259875 1000204827 /nfs/dbraw/zinc/20/48/27/1000204827.db2.gz XNLPIEZMHBEWIT-KBMXLJTQSA-N 1 2 362.905 2.653 20 30 FFEDLO Cc1nn(C)c(Cl)c1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109259875 1000204830 /nfs/dbraw/zinc/20/48/30/1000204830.db2.gz XNLPIEZMHBEWIT-KBMXLJTQSA-N 1 2 362.905 2.653 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F)C(C)C ZINC001109265987 1000206936 /nfs/dbraw/zinc/20/69/36/1000206936.db2.gz JMSKDDXAZWNTRG-BTHPGYMESA-N 1 2 373.472 2.980 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F)C(C)C ZINC001109265987 1000206941 /nfs/dbraw/zinc/20/69/41/1000206941.db2.gz JMSKDDXAZWNTRG-BTHPGYMESA-N 1 2 373.472 2.980 20 30 FFEDLO O=C(C=CC(=O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1)c1ccccc1 ZINC001144708113 1000207526 /nfs/dbraw/zinc/20/75/26/1000207526.db2.gz VFZRGEHWWQZWQT-CMDGGOBGSA-N 1 2 374.444 2.646 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)c(F)c1 ZINC001109273612 1000215321 /nfs/dbraw/zinc/21/53/21/1000215321.db2.gz LKRZGTMBRQMRIZ-JLSDUUJJSA-N 1 2 364.848 2.741 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)c(F)c1 ZINC001109273612 1000215323 /nfs/dbraw/zinc/21/53/23/1000215323.db2.gz LKRZGTMBRQMRIZ-JLSDUUJJSA-N 1 2 364.848 2.741 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCCC1 ZINC001109263006 1000220311 /nfs/dbraw/zinc/22/03/11/1000220311.db2.gz XSWVBGXCJLNLTC-QYZOEREBSA-N 1 2 373.541 2.596 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCCC1 ZINC001109263006 1000220317 /nfs/dbraw/zinc/22/03/17/1000220317.db2.gz XSWVBGXCJLNLTC-QYZOEREBSA-N 1 2 373.541 2.596 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cccc(OC)c1 ZINC001109349523 1000294452 /nfs/dbraw/zinc/29/44/52/1000294452.db2.gz MEYFMEZGMZQESA-NEWSRXKRSA-N 1 2 371.481 2.712 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cccc(OC)c1 ZINC001109349523 1000294455 /nfs/dbraw/zinc/29/44/55/1000294455.db2.gz MEYFMEZGMZQESA-NEWSRXKRSA-N 1 2 371.481 2.712 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1C ZINC001109353658 1000299105 /nfs/dbraw/zinc/29/91/05/1000299105.db2.gz RNSMCAUDEUOCFO-AABGKKOBSA-N 1 2 369.509 2.689 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1C ZINC001109353658 1000299111 /nfs/dbraw/zinc/29/91/11/1000299111.db2.gz RNSMCAUDEUOCFO-AABGKKOBSA-N 1 2 369.509 2.689 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001091293212 1000379118 /nfs/dbraw/zinc/37/91/18/1000379118.db2.gz RTCPRBDSNQEOFB-CLCXKQKWSA-N 1 2 356.474 2.805 20 30 FFEDLO Cn1ncc2c1nc(N=NC1CCCC[C@@H]1[NH+]1CCCCCC1)[nH]c2=O ZINC000769817984 1000598199 /nfs/dbraw/zinc/59/81/99/1000598199.db2.gz CKJMIQOXDBGHHL-HNNXBMFYSA-N 1 2 357.462 2.655 20 30 FFEDLO Cc1ccnc(CO[NH+]=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)n1 ZINC000769841733 1000620227 /nfs/dbraw/zinc/62/02/27/1000620227.db2.gz JAIWNZCEGPFTRQ-UHFFFAOYSA-N 1 2 371.441 2.647 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001109566451 1000651655 /nfs/dbraw/zinc/65/16/55/1000651655.db2.gz CRVBCLJONVPHQS-PASDCYSWSA-N 1 2 363.527 2.902 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001109566451 1000651660 /nfs/dbraw/zinc/65/16/60/1000651660.db2.gz CRVBCLJONVPHQS-PASDCYSWSA-N 1 2 363.527 2.902 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)COC(=O)[C@H]2CCCC[N@H+]2C)cc1C ZINC000745080980 1000654255 /nfs/dbraw/zinc/65/42/55/1000654255.db2.gz ZSLOJORTTNKZAJ-GOSISDBHSA-N 1 2 357.454 2.578 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)COC(=O)[C@H]2CCCC[N@@H+]2C)cc1C ZINC000745080980 1000654257 /nfs/dbraw/zinc/65/42/57/1000654257.db2.gz ZSLOJORTTNKZAJ-GOSISDBHSA-N 1 2 357.454 2.578 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001109592192 1000690125 /nfs/dbraw/zinc/69/01/25/1000690125.db2.gz KIGAUDPOGOSDKF-QYZOEREBSA-N 1 2 369.509 2.973 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001109592192 1000690128 /nfs/dbraw/zinc/69/01/28/1000690128.db2.gz KIGAUDPOGOSDKF-QYZOEREBSA-N 1 2 369.509 2.973 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)C(C)C)C2 ZINC001109619245 1000721803 /nfs/dbraw/zinc/72/18/03/1000721803.db2.gz LYRXKCHQKPDXHC-DFEOGRTESA-N 1 2 359.445 2.782 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)C(C)C)C2 ZINC001109619245 1000721809 /nfs/dbraw/zinc/72/18/09/1000721809.db2.gz LYRXKCHQKPDXHC-DFEOGRTESA-N 1 2 359.445 2.782 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001109632876 1000749348 /nfs/dbraw/zinc/74/93/48/1000749348.db2.gz GTAPNCUMUUURGD-VLQPXKRTSA-N 1 2 373.541 2.615 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001109632876 1000749355 /nfs/dbraw/zinc/74/93/55/1000749355.db2.gz GTAPNCUMUUURGD-VLQPXKRTSA-N 1 2 373.541 2.615 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2CC[C@@H](Nc3cc[nH+]c(C)n3)C2)CCOCC1 ZINC001091595735 1000754205 /nfs/dbraw/zinc/75/42/05/1000754205.db2.gz NTPBPAHJUHTBMV-DLBZAZTESA-N 1 2 358.486 2.855 20 30 FFEDLO C#CC[N@@H+](CC(=O)Nc1nnc(-c2ccco2)o1)[C@@H]1CCc2ccccc21 ZINC000746501497 1000781940 /nfs/dbraw/zinc/78/19/40/1000781940.db2.gz BVHZESYCVPTTSW-MRXNPFEDSA-N 1 2 362.389 2.891 20 30 FFEDLO C#CC[N@H+](CC(=O)Nc1nnc(-c2ccco2)o1)[C@@H]1CCc2ccccc21 ZINC000746501497 1000781947 /nfs/dbraw/zinc/78/19/47/1000781947.db2.gz BVHZESYCVPTTSW-MRXNPFEDSA-N 1 2 362.389 2.891 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc(-n4cncn4)c(F)c3)CCO2)c1 ZINC000770386211 1000784282 /nfs/dbraw/zinc/78/42/82/1000784282.db2.gz TVXPBQYLTOTVNU-FQEVSTJZSA-N 1 2 363.396 2.852 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc(-n4cncn4)c(F)c3)CCO2)c1 ZINC000770386211 1000784284 /nfs/dbraw/zinc/78/42/84/1000784284.db2.gz TVXPBQYLTOTVNU-FQEVSTJZSA-N 1 2 363.396 2.852 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCCC(C)(C)C)C1 ZINC001109698271 1000856584 /nfs/dbraw/zinc/85/65/84/1000856584.db2.gz BOGCKSDNLUBYEY-IKGGRYGDSA-N 1 2 361.530 2.617 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCCC(C)(C)C)C1 ZINC001109698271 1000856588 /nfs/dbraw/zinc/85/65/88/1000856588.db2.gz BOGCKSDNLUBYEY-IKGGRYGDSA-N 1 2 361.530 2.617 20 30 FFEDLO COc1ccc(CC2N=NC(=S)N2N=Cc2cccc3[nH+]ccn32)cc1 ZINC000771097439 1001006660 /nfs/dbraw/zinc/00/66/60/1001006660.db2.gz KXIVJTZIXUEHKJ-UHFFFAOYSA-N 1 2 364.434 2.696 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)CC1CCCC1)C2 ZINC001109792764 1001008550 /nfs/dbraw/zinc/00/85/50/1001008550.db2.gz HRDWHVLUINGPFP-YRXWBPOGSA-N 1 2 361.530 2.617 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)CC1CCCC1)C2 ZINC001109792764 1001008553 /nfs/dbraw/zinc/00/85/53/1001008553.db2.gz HRDWHVLUINGPFP-YRXWBPOGSA-N 1 2 361.530 2.617 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)oc2C)CCOCC1 ZINC001110046989 1001375935 /nfs/dbraw/zinc/37/59/35/1001375935.db2.gz HIJQWIRWNOPDNS-AOIWGVFYSA-N 1 2 373.497 2.886 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)oc2C)CCOCC1 ZINC001110046989 1001375941 /nfs/dbraw/zinc/37/59/41/1001375941.db2.gz HIJQWIRWNOPDNS-AOIWGVFYSA-N 1 2 373.497 2.886 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc(C)cn2)C1 ZINC001086573267 1002069531 /nfs/dbraw/zinc/06/95/31/1002069531.db2.gz LKRVFFORWUJHBQ-FUHWJXTLSA-N 1 2 356.857 2.735 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc(C)cn2)C1 ZINC001086573267 1002069543 /nfs/dbraw/zinc/06/95/43/1002069543.db2.gz LKRVFFORWUJHBQ-FUHWJXTLSA-N 1 2 356.857 2.735 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CC)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC001183274272 1002212283 /nfs/dbraw/zinc/21/22/83/1002212283.db2.gz IBKNCBMTNIAPGK-INIZCTEOSA-N 1 2 362.470 2.536 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1CCN(c2[nH+]c(C)nc(-n3cccn3)c2C)[C@@H]1C ZINC001092021079 1002297597 /nfs/dbraw/zinc/29/75/97/1002297597.db2.gz ASCWLZJHWPEDRI-WBVHZDCISA-N 1 2 368.485 2.719 20 30 FFEDLO C[C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CC1 ZINC001183828238 1002400109 /nfs/dbraw/zinc/40/01/09/1002400109.db2.gz DRSQQSVGUXAFKP-IRLDBZIGSA-N 1 2 369.509 2.924 20 30 FFEDLO C[C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)CC1 ZINC001183828238 1002400115 /nfs/dbraw/zinc/40/01/15/1002400115.db2.gz DRSQQSVGUXAFKP-IRLDBZIGSA-N 1 2 369.509 2.924 20 30 FFEDLO CC(C)[C@H]1COCCN1C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183829881 1002401710 /nfs/dbraw/zinc/40/17/10/1002401710.db2.gz AGRXZJPIRRNUAQ-WOJBJXKFSA-N 1 2 355.482 2.796 20 30 FFEDLO CC(C)[C@H]1COCCN1C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183829881 1002401716 /nfs/dbraw/zinc/40/17/16/1002401716.db2.gz AGRXZJPIRRNUAQ-WOJBJXKFSA-N 1 2 355.482 2.796 20 30 FFEDLO Cc1cc(CN(C)C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)n(C)n1 ZINC001183831844 1002403567 /nfs/dbraw/zinc/40/35/67/1002403567.db2.gz QLMJJDVTSBNOAC-HXUWFJFHSA-N 1 2 365.481 2.613 20 30 FFEDLO Cc1cc(CN(C)C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)n(C)n1 ZINC001183831844 1002403574 /nfs/dbraw/zinc/40/35/74/1002403574.db2.gz QLMJJDVTSBNOAC-HXUWFJFHSA-N 1 2 365.481 2.613 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)NCCC1CCC(O)CC1 ZINC001183842509 1002408793 /nfs/dbraw/zinc/40/87/93/1002408793.db2.gz VBDSGWRSBSHAPW-FBPXKMNZSA-N 1 2 369.509 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1CCC(O)CC1 ZINC001183842509 1002408797 /nfs/dbraw/zinc/40/87/97/1002408797.db2.gz VBDSGWRSBSHAPW-FBPXKMNZSA-N 1 2 369.509 2.970 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc([C@H](C)OC)s2)C1 ZINC001086588084 1002415584 /nfs/dbraw/zinc/41/55/84/1002415584.db2.gz DAOQHMSYNXORNJ-BHYGNILZSA-N 1 2 369.490 2.682 20 30 FFEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc([C@H](C)OC)s2)C1 ZINC001086588084 1002415591 /nfs/dbraw/zinc/41/55/91/1002415591.db2.gz DAOQHMSYNXORNJ-BHYGNILZSA-N 1 2 369.490 2.682 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2scnc2C(F)F)C1 ZINC001086599099 1002705196 /nfs/dbraw/zinc/70/51/96/1002705196.db2.gz VJABWVICXURXHD-UONOGXRCSA-N 1 2 361.417 2.912 20 30 FFEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2scnc2C(F)F)C1 ZINC001086599099 1002705211 /nfs/dbraw/zinc/70/52/11/1002705211.db2.gz VJABWVICXURXHD-UONOGXRCSA-N 1 2 361.417 2.912 20 30 FFEDLO C=C1CC(C)(C(=O)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)C1 ZINC001184783357 1002717845 /nfs/dbraw/zinc/71/78/45/1002717845.db2.gz VRXKVCHAQXGERA-INIZCTEOSA-N 1 2 352.438 2.672 20 30 FFEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1nccn12 ZINC001092414070 1002879775 /nfs/dbraw/zinc/87/97/75/1002879775.db2.gz PRGWOUQBYCTJKT-KSZLIROESA-N 1 2 366.440 2.584 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccncc2F)C3)c1 ZINC001096908633 1016722006 /nfs/dbraw/zinc/72/20/06/1016722006.db2.gz UAIVIJZMWHEHJX-ZMYBRWDISA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccncc2F)C3)c1 ZINC001096908633 1016722015 /nfs/dbraw/zinc/72/20/15/1016722015.db2.gz UAIVIJZMWHEHJX-ZMYBRWDISA-N 1 2 368.387 2.767 20 30 FFEDLO CCOC(=O)C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)OCC ZINC001170359418 1003124714 /nfs/dbraw/zinc/12/47/14/1003124714.db2.gz WUGUALMYOPGTMM-WBTXTPOCSA-N 1 2 372.465 2.865 20 30 FFEDLO CCOC(=O)[C@@H](C#N)Nc1ccc2c(c1)[nH+]cn2-c1ccccc1OC ZINC001170377964 1003142808 /nfs/dbraw/zinc/14/28/08/1003142808.db2.gz QYHJXPFUEKQZLS-OAHLLOKOSA-N 1 2 350.378 2.901 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113933335 1003250943 /nfs/dbraw/zinc/25/09/43/1003250943.db2.gz RVOSABKFZOLEBM-UAGQMJEPSA-N 1 2 358.486 2.585 20 30 FFEDLO N#Cc1c(=O)n(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)cc2c1CCCC2 ZINC000793510365 1003392211 /nfs/dbraw/zinc/39/22/11/1003392211.db2.gz AVOQTAATICHDTH-QGZVFWFLSA-N 1 2 363.461 2.957 20 30 FFEDLO N#Cc1c(=O)n(C[N@H+]2CC[C@@H](COc3ccccc3)C2)cc2c1CCCC2 ZINC000793510365 1003392223 /nfs/dbraw/zinc/39/22/23/1003392223.db2.gz AVOQTAATICHDTH-QGZVFWFLSA-N 1 2 363.461 2.957 20 30 FFEDLO CC(C)(C)C[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793607470 1003440409 /nfs/dbraw/zinc/44/04/09/1003440409.db2.gz QGDVJYBVXFOUPO-IRXDYDNUSA-N 1 2 356.470 2.649 20 30 FFEDLO CC(C)(C)C[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793607470 1003440415 /nfs/dbraw/zinc/44/04/15/1003440415.db2.gz QGDVJYBVXFOUPO-IRXDYDNUSA-N 1 2 356.470 2.649 20 30 FFEDLO N#Cc1cccnc1NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001114185015 1003508050 /nfs/dbraw/zinc/50/80/50/1003508050.db2.gz KMYJVLHIXKGFAX-HZPDHXFCSA-N 1 2 364.453 2.711 20 30 FFEDLO N#Cc1cccnc1NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001114185015 1003508056 /nfs/dbraw/zinc/50/80/56/1003508056.db2.gz KMYJVLHIXKGFAX-HZPDHXFCSA-N 1 2 364.453 2.711 20 30 FFEDLO CC(C)OCC(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001187181437 1003592150 /nfs/dbraw/zinc/59/21/50/1003592150.db2.gz CXOFMUMMVQOYDK-PKOBYXMFSA-N 1 2 360.885 2.649 20 30 FFEDLO CC(C)OCC(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001187181437 1003592157 /nfs/dbraw/zinc/59/21/57/1003592157.db2.gz CXOFMUMMVQOYDK-PKOBYXMFSA-N 1 2 360.885 2.649 20 30 FFEDLO Cc1nscc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096978122 1016797600 /nfs/dbraw/zinc/79/76/00/1016797600.db2.gz KAAMNXXFRXXWOJ-OLMNPRSZSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1nscc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096978122 1016797613 /nfs/dbraw/zinc/79/76/13/1016797613.db2.gz KAAMNXXFRXXWOJ-OLMNPRSZSA-N 1 2 370.453 2.998 20 30 FFEDLO CCc1ccc([C@@H]2CN(S(=O)(=O)c3cc(C#N)ccc3C)CC[NH2+]2)cc1 ZINC001196227332 1003712635 /nfs/dbraw/zinc/71/26/35/1003712635.db2.gz GNQCEPIWNZZPCD-IBGZPJMESA-N 1 2 369.490 2.764 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)c1cncnc1 ZINC001096990564 1016846433 /nfs/dbraw/zinc/84/64/33/1016846433.db2.gz JZPABHAVUYOTBG-QRVBRYPASA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)c1cncnc1 ZINC001096990564 1016846451 /nfs/dbraw/zinc/84/64/51/1016846451.db2.gz JZPABHAVUYOTBG-QRVBRYPASA-N 1 2 366.852 2.517 20 30 FFEDLO Cc1ccc(-c2ccc(S(=O)(=O)NC3(C#N)CC[NH+](C)CC3)cc2)cc1 ZINC001192096610 1004063275 /nfs/dbraw/zinc/06/32/75/1004063275.db2.gz HQXZYDAVXWAJOG-UHFFFAOYSA-N 1 2 369.490 2.928 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1O ZINC001193344913 1004457722 /nfs/dbraw/zinc/45/77/22/1004457722.db2.gz HVJFODNACDIJIP-RTBURBONSA-N 1 2 369.465 2.605 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1O ZINC001193344913 1004457727 /nfs/dbraw/zinc/45/77/27/1004457727.db2.gz HVJFODNACDIJIP-RTBURBONSA-N 1 2 369.465 2.605 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccc(C)cc3)no2)C[C@H]1O ZINC001193376572 1004469296 /nfs/dbraw/zinc/46/92/96/1004469296.db2.gz GOTFRPZXTXDLKU-WOJBJXKFSA-N 1 2 369.465 2.668 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccc(C)cc3)no2)C[C@H]1O ZINC001193376572 1004469301 /nfs/dbraw/zinc/46/93/01/1004469301.db2.gz GOTFRPZXTXDLKU-WOJBJXKFSA-N 1 2 369.465 2.668 20 30 FFEDLO Cc1ccn(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001097006736 1016881370 /nfs/dbraw/zinc/88/13/70/1016881370.db2.gz ZDKDRCFUZOWFAL-QRQLOZEOSA-N 1 2 366.440 2.880 20 30 FFEDLO Cc1ccn(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001097006736 1016881378 /nfs/dbraw/zinc/88/13/78/1016881378.db2.gz ZDKDRCFUZOWFAL-QRQLOZEOSA-N 1 2 366.440 2.880 20 30 FFEDLO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(O)c(C#N)c3)cc2)CC1 ZINC001193505700 1004505215 /nfs/dbraw/zinc/50/52/15/1004505215.db2.gz LPOJXMNXKXOSEO-UHFFFAOYSA-N 1 2 364.449 2.654 20 30 FFEDLO CCCCCC[C@@H](CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131048951 1004680308 /nfs/dbraw/zinc/68/03/08/1004680308.db2.gz MXBWJOSNIDPUOT-KZNAEPCWSA-N 1 2 359.518 2.824 20 30 FFEDLO C=CCOC(=O)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001194300458 1004696956 /nfs/dbraw/zinc/69/69/56/1004696956.db2.gz HJCWUPUWWBKAPW-GFCCVEGCSA-N 1 2 366.215 2.793 20 30 FFEDLO Cc1cc(N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)nc(C(C)C)[nH+]1 ZINC001050118148 1016899450 /nfs/dbraw/zinc/89/94/50/1016899450.db2.gz ITUZMCYEMNXBFC-CJNGLKHVSA-N 1 2 352.442 2.505 20 30 FFEDLO COc1ccc(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C#N ZINC000747430477 1004709809 /nfs/dbraw/zinc/70/98/09/1004709809.db2.gz BGNAIAFNLDQGIB-WMLDXEAASA-N 1 2 353.426 2.556 20 30 FFEDLO COc1cncc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)c1 ZINC000808255514 1004783696 /nfs/dbraw/zinc/78/36/96/1004783696.db2.gz PHNXUWHXTDLMPU-UHFFFAOYSA-N 1 2 364.405 2.901 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1O)c1ccccc1 ZINC001198955390 1004792318 /nfs/dbraw/zinc/79/23/18/1004792318.db2.gz BYXVDDSPMOENGZ-XUVXKRRUSA-N 1 2 370.880 2.971 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1O)c1ccccc1 ZINC001198955390 1004792322 /nfs/dbraw/zinc/79/23/22/1004792322.db2.gz BYXVDDSPMOENGZ-XUVXKRRUSA-N 1 2 370.880 2.971 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cc(F)ccc2F)C[C@H]1O ZINC001195307441 1004938367 /nfs/dbraw/zinc/93/83/67/1004938367.db2.gz XKQQJPMMWTVUAH-NIKGAXFTSA-N 1 2 364.436 2.771 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cc(F)ccc2F)C[C@H]1O ZINC001195307441 1004938374 /nfs/dbraw/zinc/93/83/74/1004938374.db2.gz XKQQJPMMWTVUAH-NIKGAXFTSA-N 1 2 364.436 2.771 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccc(C)cc3)no2)C[C@H]1O ZINC001195726485 1005022791 /nfs/dbraw/zinc/02/27/91/1005022791.db2.gz WUGRPAZKPRLNIH-WOJBJXKFSA-N 1 2 369.465 2.668 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccc(C)cc3)no2)C[C@H]1O ZINC001195726485 1005022796 /nfs/dbraw/zinc/02/27/96/1005022796.db2.gz WUGRPAZKPRLNIH-WOJBJXKFSA-N 1 2 369.465 2.668 20 30 FFEDLO Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)cc1C#N ZINC001201309665 1005197752 /nfs/dbraw/zinc/19/77/52/1005197752.db2.gz CDLPMELEPLEXIV-OALUTQOASA-N 1 2 367.474 2.514 20 30 FFEDLO Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)cc1C#N ZINC001201309665 1005197754 /nfs/dbraw/zinc/19/77/54/1005197754.db2.gz CDLPMELEPLEXIV-OALUTQOASA-N 1 2 367.474 2.514 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1)C1CC1 ZINC001110569452 1005257693 /nfs/dbraw/zinc/25/76/93/1005257693.db2.gz ODBKOJUPHWUVQZ-RSPOEFSDSA-N 1 2 371.456 2.734 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1)C1CC1 ZINC001110569452 1005257700 /nfs/dbraw/zinc/25/77/00/1005257700.db2.gz ODBKOJUPHWUVQZ-RSPOEFSDSA-N 1 2 371.456 2.734 20 30 FFEDLO C[C@H](C#N)C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]Cc1noc(C2CC2)n1 ZINC001489063727 1005402527 /nfs/dbraw/zinc/40/25/27/1005402527.db2.gz OWJBWTBPYSSHJO-IIAWOOMASA-N 1 2 359.474 2.604 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@H+](Cc2nccs2)[C@@H]1CC ZINC001489126670 1005415491 /nfs/dbraw/zinc/41/54/91/1005415491.db2.gz JYBLXJQCHDOBDE-HDMKZQKVSA-N 1 2 351.516 2.841 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@@H+](Cc2nccs2)[C@@H]1CC ZINC001489126670 1005415492 /nfs/dbraw/zinc/41/54/92/1005415492.db2.gz JYBLXJQCHDOBDE-HDMKZQKVSA-N 1 2 351.516 2.841 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)CCC)C1 ZINC001489089700 1005417836 /nfs/dbraw/zinc/41/78/36/1005417836.db2.gz ATVACIARTNUKCV-DFQSSKMNSA-N 1 2 371.525 2.699 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)CCC)C1 ZINC001489089700 1005417838 /nfs/dbraw/zinc/41/78/38/1005417838.db2.gz ATVACIARTNUKCV-DFQSSKMNSA-N 1 2 371.525 2.699 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C(C)(C)CCOC)[C@H]1CC ZINC001489139133 1005421481 /nfs/dbraw/zinc/42/14/81/1005421481.db2.gz JYGNPULEARVTJT-UONOGXRCSA-N 1 2 361.324 2.927 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)CCOC)[C@H]1CC ZINC001489139133 1005421483 /nfs/dbraw/zinc/42/14/83/1005421483.db2.gz JYGNPULEARVTJT-UONOGXRCSA-N 1 2 361.324 2.927 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)(C)C ZINC001110601125 1005474523 /nfs/dbraw/zinc/47/45/23/1005474523.db2.gz KSMPVTYCBGWIEW-KFWWJZLASA-N 1 2 369.937 2.649 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)(C)C ZINC001110601125 1005474525 /nfs/dbraw/zinc/47/45/25/1005474525.db2.gz KSMPVTYCBGWIEW-KFWWJZLASA-N 1 2 369.937 2.649 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(c3ccccn3)CC1)C2 ZINC001097069813 1016975941 /nfs/dbraw/zinc/97/59/41/1016975941.db2.gz ILPYZJFDHXKOTL-AQNXPRMDSA-N 1 2 372.472 2.907 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(c3ccccn3)CC1)C2 ZINC001097069813 1016975952 /nfs/dbraw/zinc/97/59/52/1016975952.db2.gz ILPYZJFDHXKOTL-AQNXPRMDSA-N 1 2 372.472 2.907 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)Nc3ccccc3F)C[C@H]21 ZINC001187210705 1005979340 /nfs/dbraw/zinc/97/93/40/1005979340.db2.gz XIZKMBKQGJNEKC-RLFYNMQTSA-N 1 2 359.445 2.652 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)Nc3ccccc3F)C[C@H]21 ZINC001187210705 1005979343 /nfs/dbraw/zinc/97/93/43/1005979343.db2.gz XIZKMBKQGJNEKC-RLFYNMQTSA-N 1 2 359.445 2.652 20 30 FFEDLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000852442618 1006024819 /nfs/dbraw/zinc/02/48/19/1006024819.db2.gz GCJQBMMYVYEAHL-ZBFHGGJFSA-N 1 2 362.433 2.867 20 30 FFEDLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000852442618 1006024832 /nfs/dbraw/zinc/02/48/32/1006024832.db2.gz GCJQBMMYVYEAHL-ZBFHGGJFSA-N 1 2 362.433 2.867 20 30 FFEDLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000852442615 1006026063 /nfs/dbraw/zinc/02/60/63/1006026063.db2.gz GCJQBMMYVYEAHL-GOEBONIOSA-N 1 2 362.433 2.867 20 30 FFEDLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000852442615 1006026080 /nfs/dbraw/zinc/02/60/80/1006026080.db2.gz GCJQBMMYVYEAHL-GOEBONIOSA-N 1 2 362.433 2.867 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2c(C)nn(C)c2Cl)CCC1 ZINC001110650844 1006074329 /nfs/dbraw/zinc/07/43/29/1006074329.db2.gz APRLUNHFXDUNLC-OIISXLGYSA-N 1 2 374.916 2.797 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2c(C)nn(C)c2Cl)CCC1 ZINC001110650844 1006074341 /nfs/dbraw/zinc/07/43/41/1006074341.db2.gz APRLUNHFXDUNLC-OIISXLGYSA-N 1 2 374.916 2.797 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nc(C(C)C)no3)C[C@H]21 ZINC001187605331 1006164903 /nfs/dbraw/zinc/16/49/03/1006164903.db2.gz FENASYVQOLEKRH-IXDOHACOSA-N 1 2 358.486 2.980 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nc(C(C)C)no3)C[C@H]21 ZINC001187605331 1006164908 /nfs/dbraw/zinc/16/49/08/1006164908.db2.gz FENASYVQOLEKRH-IXDOHACOSA-N 1 2 358.486 2.980 20 30 FFEDLO C=CCCOCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]21 ZINC001187919474 1006318495 /nfs/dbraw/zinc/31/84/95/1006318495.db2.gz HEVSQJNAUJHPAQ-PKOBYXMFSA-N 1 2 361.486 2.779 20 30 FFEDLO C=CCCOCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3coc(C)n3)C[C@H]21 ZINC001187919474 1006318507 /nfs/dbraw/zinc/31/85/07/1006318507.db2.gz HEVSQJNAUJHPAQ-PKOBYXMFSA-N 1 2 361.486 2.779 20 30 FFEDLO CC(C)(C)OC(=O)N1CC2(C1)C[N@H+](Cc1cccc(C#N)c1F)CCO2 ZINC000814663609 1006379675 /nfs/dbraw/zinc/37/96/75/1006379675.db2.gz ZDHIBXDCMWGSSI-UHFFFAOYSA-N 1 2 361.417 2.519 20 30 FFEDLO CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](Cc1cccc(C#N)c1F)CCO2 ZINC000814663609 1006379686 /nfs/dbraw/zinc/37/96/86/1006379686.db2.gz ZDHIBXDCMWGSSI-UHFFFAOYSA-N 1 2 361.417 2.519 20 30 FFEDLO CCCCCCCCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001188030377 1006386981 /nfs/dbraw/zinc/38/69/81/1006386981.db2.gz LJQRMJBXKKZOGB-GOSISDBHSA-N 1 2 353.532 2.936 20 30 FFEDLO CCCCCCCCS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001188030377 1006386994 /nfs/dbraw/zinc/38/69/94/1006386994.db2.gz LJQRMJBXKKZOGB-GOSISDBHSA-N 1 2 353.532 2.936 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nc(CC)no3)C[C@H]21 ZINC001188034026 1006391131 /nfs/dbraw/zinc/39/11/31/1006391131.db2.gz WQWIEGMLNVRDGH-BHYGNILZSA-N 1 2 358.486 2.994 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3nc(CC)no3)C[C@H]21 ZINC001188034026 1006391142 /nfs/dbraw/zinc/39/11/42/1006391142.db2.gz WQWIEGMLNVRDGH-BHYGNILZSA-N 1 2 358.486 2.994 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4ccoc4)no3)C[C@H]21 ZINC001188057117 1006414633 /nfs/dbraw/zinc/41/46/33/1006414633.db2.gz NRALVOJZHJPAKG-GOEBONIOSA-N 1 2 370.453 2.965 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4ccoc4)no3)C[C@H]21 ZINC001188057117 1006414638 /nfs/dbraw/zinc/41/46/38/1006414638.db2.gz NRALVOJZHJPAKG-GOEBONIOSA-N 1 2 370.453 2.965 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1nc(C)cc(C)c1C#N)C[NH2+]C2(C)C ZINC001170761820 1006419567 /nfs/dbraw/zinc/41/95/67/1006419567.db2.gz VKDGCFSGSFMYEJ-UHFFFAOYSA-N 1 2 354.414 2.853 20 30 FFEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCc2cccnc2N)cc1 ZINC000853688710 1006504831 /nfs/dbraw/zinc/50/48/31/1006504831.db2.gz HAPNJGSUTFXZBL-UHFFFAOYSA-N 1 2 371.441 2.526 20 30 FFEDLO CCc1nocc1C[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000815171609 1006542162 /nfs/dbraw/zinc/54/21/62/1006542162.db2.gz DUGOVRPVFNBTQC-HNNXBMFYSA-N 1 2 361.405 2.906 20 30 FFEDLO CCc1nocc1C[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000815171609 1006542175 /nfs/dbraw/zinc/54/21/75/1006542175.db2.gz DUGOVRPVFNBTQC-HNNXBMFYSA-N 1 2 361.405 2.906 20 30 FFEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(-c2ccc(C#N)c(F)c2)cc1 ZINC001188711117 1006680537 /nfs/dbraw/zinc/68/05/37/1006680537.db2.gz DBMPIUFNKKPJRO-HNNXBMFYSA-N 1 2 367.424 2.815 20 30 FFEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(-c2ccc(C#N)c(F)c2)cc1 ZINC001188711117 1006680545 /nfs/dbraw/zinc/68/05/45/1006680545.db2.gz DBMPIUFNKKPJRO-HNNXBMFYSA-N 1 2 367.424 2.815 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1sccc1Br ZINC001110402752 1006761752 /nfs/dbraw/zinc/76/17/52/1006761752.db2.gz BSOUBZUHJJQQLK-YGNMPJRFSA-N 1 2 368.300 2.892 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1sccc1Br ZINC001110402752 1006761765 /nfs/dbraw/zinc/76/17/65/1006761765.db2.gz BSOUBZUHJJQQLK-YGNMPJRFSA-N 1 2 368.300 2.892 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CCC)OCC)[C@@H]2C1 ZINC001188886712 1006786316 /nfs/dbraw/zinc/78/63/16/1006786316.db2.gz YDBVVSURCRVFGE-RRFJBIMHSA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CCC)OCC)[C@@H]2C1 ZINC001188886712 1006786323 /nfs/dbraw/zinc/78/63/23/1006786323.db2.gz YDBVVSURCRVFGE-RRFJBIMHSA-N 1 2 359.308 2.633 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001188909119 1006798752 /nfs/dbraw/zinc/79/87/52/1006798752.db2.gz NNCLZTNDGUGWLH-ZIFCJYIRSA-N 1 2 355.482 2.760 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001188909119 1006798764 /nfs/dbraw/zinc/79/87/64/1006798764.db2.gz NNCLZTNDGUGWLH-ZIFCJYIRSA-N 1 2 355.482 2.760 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2OC(C)=O)CC1 ZINC001189504975 1007125065 /nfs/dbraw/zinc/12/50/65/1007125065.db2.gz OIBLHIPGBDCQKQ-UHFFFAOYSA-N 1 2 356.344 2.575 20 30 FFEDLO C=CCOC(=O)N1CCC(CNC(=O)c2ccccc2-n2cc[nH+]c2)CC1 ZINC001190114739 1007478063 /nfs/dbraw/zinc/47/80/63/1007478063.db2.gz SKJXVEDTEIOYEC-UHFFFAOYSA-N 1 2 368.437 2.637 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cscc1C)C2 ZINC001110426241 1007615688 /nfs/dbraw/zinc/61/56/88/1007615688.db2.gz AAZCXYJUTAFTRS-NXHRZFHOSA-N 1 2 373.522 2.592 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cscc1C)C2 ZINC001110426241 1007615691 /nfs/dbraw/zinc/61/56/91/1007615691.db2.gz AAZCXYJUTAFTRS-NXHRZFHOSA-N 1 2 373.522 2.592 20 30 FFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NCc2c[nH+]cn2CC2CCC2)c1 ZINC001190998821 1007876516 /nfs/dbraw/zinc/87/65/16/1007876516.db2.gz YMUFHJIGGBCXFC-UHFFFAOYSA-N 1 2 364.858 2.687 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000819387711 1008132445 /nfs/dbraw/zinc/13/24/45/1008132445.db2.gz QAQUYSPYXUVIOR-OAHLLOKOSA-N 1 2 371.441 2.538 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001206479639 1032306087 /nfs/dbraw/zinc/30/60/87/1032306087.db2.gz QMOFCFLUJWASIQ-CKEIUWERSA-N 1 2 351.878 2.653 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001206479639 1032306096 /nfs/dbraw/zinc/30/60/96/1032306096.db2.gz QMOFCFLUJWASIQ-CKEIUWERSA-N 1 2 351.878 2.653 20 30 FFEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2OC)CC1)c1ccccc1 ZINC000820605842 1008357122 /nfs/dbraw/zinc/35/71/22/1008357122.db2.gz RDLDABBYIQWJIG-FQEVSTJZSA-N 1 2 363.461 2.897 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1nc(C)cc1C)C2 ZINC001110105302 1008701626 /nfs/dbraw/zinc/70/16/26/1008701626.db2.gz QGAPWPGKYOYYAD-NCOADZHNSA-N 1 2 350.894 2.925 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1nc(C)cc1C)C2 ZINC001110105302 1008701634 /nfs/dbraw/zinc/70/16/34/1008701634.db2.gz QGAPWPGKYOYYAD-NCOADZHNSA-N 1 2 350.894 2.925 20 30 FFEDLO CCOC(=O)[C@H]1CCCc2sc(NC(=O)CCc3[nH]cc[nH+]3)c(C#N)c21 ZINC001177994314 1008837885 /nfs/dbraw/zinc/83/78/85/1008837885.db2.gz VEBSGPBMHAWHNH-NSHDSACASA-N 1 2 372.450 2.897 20 30 FFEDLO C#CC[C@H](COC)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000860827710 1009165013 /nfs/dbraw/zinc/16/50/13/1009165013.db2.gz RITRLVUQKOOIHD-MRXNPFEDSA-N 1 2 350.422 2.762 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3ccco3)o1)C2 ZINC001110792876 1009261528 /nfs/dbraw/zinc/26/15/28/1009261528.db2.gz DTNAVFSNFCNYOF-OAGGEKHMSA-N 1 2 354.406 2.525 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3ccco3)o1)C2 ZINC001110792876 1009261542 /nfs/dbraw/zinc/26/15/42/1009261542.db2.gz DTNAVFSNFCNYOF-OAGGEKHMSA-N 1 2 354.406 2.525 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001206779133 1032421296 /nfs/dbraw/zinc/42/12/96/1032421296.db2.gz ZGZWVUPVGGGUTB-GDBMZVCRSA-N 1 2 351.878 2.654 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001206779133 1032421301 /nfs/dbraw/zinc/42/13/01/1032421301.db2.gz ZGZWVUPVGGGUTB-GDBMZVCRSA-N 1 2 351.878 2.654 20 30 FFEDLO CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)CC1(C#N)CCCCC1)C2 ZINC001181346308 1010087167 /nfs/dbraw/zinc/08/71/67/1010087167.db2.gz PLRVEVLMLMBFMH-UHFFFAOYSA-N 1 2 357.502 2.999 20 30 FFEDLO CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)CC1(C#N)CCCCC1)C2 ZINC001181346308 1010087180 /nfs/dbraw/zinc/08/71/80/1010087180.db2.gz PLRVEVLMLMBFMH-UHFFFAOYSA-N 1 2 357.502 2.999 20 30 FFEDLO N#Cc1ccc(NC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCCCC2)cn1 ZINC001093410974 1010242748 /nfs/dbraw/zinc/24/27/48/1010242748.db2.gz GZDUVYRXHRNHAB-IAGOWNOFSA-N 1 2 364.453 2.711 20 30 FFEDLO N#Cc1ccc(NC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCCCC2)cn1 ZINC001093410974 1010242760 /nfs/dbraw/zinc/24/27/60/1010242760.db2.gz GZDUVYRXHRNHAB-IAGOWNOFSA-N 1 2 364.453 2.711 20 30 FFEDLO C=CCC[C@@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)C(=O)OCC ZINC001181827032 1010271913 /nfs/dbraw/zinc/27/19/13/1010271913.db2.gz JFWJCOMGLNULRH-XAUUPUKJSA-N 1 2 352.475 2.873 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3cscc3s1)C2 ZINC001110828194 1010467483 /nfs/dbraw/zinc/46/74/83/1010467483.db2.gz SJXCVSAQLISMIO-KFWWJZLASA-N 1 2 360.504 2.948 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3cscc3s1)C2 ZINC001110828194 1010467488 /nfs/dbraw/zinc/46/74/88/1010467488.db2.gz SJXCVSAQLISMIO-KFWWJZLASA-N 1 2 360.504 2.948 20 30 FFEDLO C=CCOc1ccc(-c2nn(C[N@H+]3CC[C@](C)(C(N)=O)C3)c(=S)o2)cc1 ZINC000794716395 1010563790 /nfs/dbraw/zinc/56/37/90/1010563790.db2.gz RYPUDIBJXCETEI-SFHVURJKSA-N 1 2 374.466 2.592 20 30 FFEDLO C=CCOc1ccc(-c2nn(C[N@@H+]3CC[C@](C)(C(N)=O)C3)c(=S)o2)cc1 ZINC000794716395 1010563802 /nfs/dbraw/zinc/56/38/02/1010563802.db2.gz RYPUDIBJXCETEI-SFHVURJKSA-N 1 2 374.466 2.592 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3C)no2)C[C@H]1C ZINC001206911265 1032493263 /nfs/dbraw/zinc/49/32/63/1032493263.db2.gz IPDOPHQAPUGMJJ-SJLPKXTDSA-N 1 2 366.465 2.785 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccccc3C)no2)C[C@H]1C ZINC001206911265 1032493268 /nfs/dbraw/zinc/49/32/68/1032493268.db2.gz IPDOPHQAPUGMJJ-SJLPKXTDSA-N 1 2 366.465 2.785 20 30 FFEDLO C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000120473653 1010753695 /nfs/dbraw/zinc/75/36/95/1010753695.db2.gz GOVVNFPISTYBQV-HNNXBMFYSA-N 1 2 354.385 2.633 20 30 FFEDLO C[C@@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1cccc(C#N)c1O ZINC000866219495 1010953866 /nfs/dbraw/zinc/95/38/66/1010953866.db2.gz PRKVDJFGQVBZDL-UZLBHIALSA-N 1 2 351.450 2.988 20 30 FFEDLO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866270028 1010966967 /nfs/dbraw/zinc/96/69/67/1010966967.db2.gz RDKPPWNVDKYRIB-IAGOWNOFSA-N 1 2 365.481 2.520 20 30 FFEDLO COCCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866384838 1010986980 /nfs/dbraw/zinc/98/69/80/1010986980.db2.gz DRADULYRYLOIGO-CRAIPNDOSA-N 1 2 370.449 2.543 20 30 FFEDLO Cc1cccn2cc(CCNC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)[nH+]c12 ZINC000868330336 1011251866 /nfs/dbraw/zinc/25/18/66/1011251866.db2.gz FBDXOWXNSAGHQA-LJQANCHMSA-N 1 2 359.433 2.524 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](OC)c1cccc(OC)c1)C2 ZINC001110864798 1011274158 /nfs/dbraw/zinc/27/41/58/1011274158.db2.gz NXNSCZUXJPIZHJ-NRSFXHEJSA-N 1 2 364.873 2.857 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](OC)c1cccc(OC)c1)C2 ZINC001110864798 1011274171 /nfs/dbraw/zinc/27/41/71/1011274171.db2.gz NXNSCZUXJPIZHJ-NRSFXHEJSA-N 1 2 364.873 2.857 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)C2)c1 ZINC000868668305 1011410828 /nfs/dbraw/zinc/41/08/28/1011410828.db2.gz IWVUADZIUISJQU-YSIASYRMSA-N 1 2 370.497 2.577 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)C2)c1 ZINC000868668305 1011410834 /nfs/dbraw/zinc/41/08/34/1011410834.db2.gz IWVUADZIUISJQU-YSIASYRMSA-N 1 2 370.497 2.577 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H]1Cc2cccc(F)c2C1 ZINC001171797581 1011481839 /nfs/dbraw/zinc/48/18/39/1011481839.db2.gz WRYZFSVGORGJHC-DNVCBOLYSA-N 1 2 356.445 2.706 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@@H]1Cc2cccc(F)c2C1 ZINC001171797581 1011481847 /nfs/dbraw/zinc/48/18/47/1011481847.db2.gz WRYZFSVGORGJHC-DNVCBOLYSA-N 1 2 356.445 2.706 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CCCC1(C)C ZINC000411003584 1011710990 /nfs/dbraw/zinc/71/09/90/1011710990.db2.gz OLWJHPXRRYTZBW-SJORKVTESA-N 1 2 372.513 2.719 20 30 FFEDLO CCOC(=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172295330 1011755213 /nfs/dbraw/zinc/75/52/13/1011755213.db2.gz QQMYXMALCWNTKX-FOIQADDNSA-N 1 2 352.434 2.959 20 30 FFEDLO C[NH+]1CCN(c2ccc(-c3noc(-c4ccc(C#N)cc4O)n3)cc2)CC1 ZINC001217039687 1032593970 /nfs/dbraw/zinc/59/39/70/1032593970.db2.gz XPBYEBBWMNYGRY-UHFFFAOYSA-N 1 2 361.405 2.733 20 30 FFEDLO C=C[C@@H]1C[C@@]1([NH2+]C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C)C(=O)OCC ZINC001172811951 1012034597 /nfs/dbraw/zinc/03/45/97/1012034597.db2.gz FNSBKLRYFKXGDU-ZUJOMPCJSA-N 1 2 362.470 2.790 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+](Cc3nc(C(F)(F)F)cs3)CC2)C1=O ZINC001275206408 1012083099 /nfs/dbraw/zinc/08/30/99/1012083099.db2.gz JGRBNRHKADAVJH-MRXNPFEDSA-N 1 2 371.428 3.000 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+](Cc3nc(C(F)(F)F)cs3)CC2)C1=O ZINC001275206408 1012083116 /nfs/dbraw/zinc/08/31/16/1012083116.db2.gz JGRBNRHKADAVJH-MRXNPFEDSA-N 1 2 371.428 3.000 20 30 FFEDLO C=CCCCC[N@H+]1C[C@]2(F)CN(CCCCC(=O)OCC)C(=O)[C@]2(F)C1 ZINC001276345354 1012087067 /nfs/dbraw/zinc/08/70/67/1012087067.db2.gz AHOXTZHYSHEWHM-RBUKOAKNSA-N 1 2 372.456 2.651 20 30 FFEDLO C=CCCCC[N@@H+]1C[C@]2(F)CN(CCCCC(=O)OCC)C(=O)[C@]2(F)C1 ZINC001276345354 1012087087 /nfs/dbraw/zinc/08/70/87/1012087087.db2.gz AHOXTZHYSHEWHM-RBUKOAKNSA-N 1 2 372.456 2.651 20 30 FFEDLO CCCC[N@H+](CC(=O)OCC)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988979 1012156741 /nfs/dbraw/zinc/15/67/41/1012156741.db2.gz DYBQWBQGIBXFFC-HOTGVXAUSA-N 1 2 367.490 2.943 20 30 FFEDLO CCCC[N@@H+](CC(=O)OCC)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988979 1012156746 /nfs/dbraw/zinc/15/67/46/1012156746.db2.gz DYBQWBQGIBXFFC-HOTGVXAUSA-N 1 2 367.490 2.943 20 30 FFEDLO COc1cccc([C@@H]2CN(C(=O)[C@H](C)Oc3ccc(C#N)cc3)CC[NH2+]2)c1 ZINC000870146992 1012201210 /nfs/dbraw/zinc/20/12/10/1012201210.db2.gz IECFGUSINXGIBO-YWZLYKJASA-N 1 2 365.433 2.507 20 30 FFEDLO C=CCC1(C(=O)N2CC[NH+](Cc3cccc(OC)c3)CC2)CCOCC1 ZINC000870159172 1012225304 /nfs/dbraw/zinc/22/53/04/1012225304.db2.gz WFGNTSSMQTWDQL-UHFFFAOYSA-N 1 2 358.482 2.712 20 30 FFEDLO CC(=O)[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cccc(C#N)c1Cl)CC2 ZINC001275307258 1012262955 /nfs/dbraw/zinc/26/29/55/1012262955.db2.gz BGLGMYPCJKVCFS-SUMWQHHRSA-N 1 2 373.884 2.907 20 30 FFEDLO COc1ccc(C(=O)N2CCC([N@@H+]3CCC4SC(=O)C=C4C3)CC2)cc1 ZINC001173404759 1012531391 /nfs/dbraw/zinc/53/13/91/1012531391.db2.gz GZNLXKJNLDBBJL-SFHVURJKSA-N 1 2 372.490 2.574 20 30 FFEDLO COc1ccc(C(=O)N2CCC([N@H+]3CCC4SC(=O)C=C4C3)CC2)cc1 ZINC001173404759 1012531403 /nfs/dbraw/zinc/53/14/03/1012531403.db2.gz GZNLXKJNLDBBJL-SFHVURJKSA-N 1 2 372.490 2.574 20 30 FFEDLO COc1ccc(C(=O)N2CCC([N@@H+]3CC[C@@H]4SC(=O)C=C4C3)CC2)cc1 ZINC001173404759 1012531417 /nfs/dbraw/zinc/53/14/17/1012531417.db2.gz GZNLXKJNLDBBJL-SFHVURJKSA-N 1 2 372.490 2.574 20 30 FFEDLO COc1ccc(C(=O)N2CCC([N@H+]3CC[C@@H]4SC(=O)C=C4C3)CC2)cc1 ZINC001173404759 1012531432 /nfs/dbraw/zinc/53/14/32/1012531432.db2.gz GZNLXKJNLDBBJL-SFHVURJKSA-N 1 2 372.490 2.574 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cc(Br)cs2)C1=O ZINC001275610538 1012695393 /nfs/dbraw/zinc/69/53/93/1012695393.db2.gz GTRXHJCFHVUNEI-OAHLLOKOSA-N 1 2 353.285 2.711 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(Br)cs2)C1=O ZINC001275610538 1012695399 /nfs/dbraw/zinc/69/53/99/1012695399.db2.gz GTRXHJCFHVUNEI-OAHLLOKOSA-N 1 2 353.285 2.711 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccccc2OC(F)(F)F)C1=O ZINC001275688705 1012865623 /nfs/dbraw/zinc/86/56/23/1012865623.db2.gz VNKSNMQBTKWWHX-QGZVFWFLSA-N 1 2 352.356 2.785 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccccc2OC(F)(F)F)C1=O ZINC001275688705 1012865640 /nfs/dbraw/zinc/86/56/40/1012865640.db2.gz VNKSNMQBTKWWHX-QGZVFWFLSA-N 1 2 352.356 2.785 20 30 FFEDLO CCCn1nccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097150941 1017109047 /nfs/dbraw/zinc/10/90/47/1017109047.db2.gz VOKBCRCVILHSRU-QRVBRYPASA-N 1 2 363.465 2.700 20 30 FFEDLO CCCn1nccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097150941 1017109054 /nfs/dbraw/zinc/10/90/54/1017109054.db2.gz VOKBCRCVILHSRU-QRVBRYPASA-N 1 2 363.465 2.700 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CCN1c1cccc(F)c1C#N ZINC001051219893 1017255091 /nfs/dbraw/zinc/25/50/91/1017255091.db2.gz DRFJOVXAOPXVAG-WBMJQRKESA-N 1 2 363.396 2.971 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001052080599 1017317933 /nfs/dbraw/zinc/31/79/33/1017317933.db2.gz LTHPHHUXUQEBMZ-XVDPQKCLSA-N 1 2 370.497 2.562 20 30 FFEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3C)C2)CC1 ZINC001052097243 1017322971 /nfs/dbraw/zinc/32/29/71/1017322971.db2.gz WQUBMGPMGFLWCA-BAGYTPMASA-N 1 2 367.537 2.893 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(c2ccccc2)C1=O ZINC001110898578 1017593554 /nfs/dbraw/zinc/59/35/54/1017593554.db2.gz LMHBACRYMHZYBR-AKHDSKFASA-N 1 2 367.493 2.726 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(c2ccccc2)C1=O ZINC001110898578 1017593565 /nfs/dbraw/zinc/59/35/65/1017593565.db2.gz LMHBACRYMHZYBR-AKHDSKFASA-N 1 2 367.493 2.726 20 30 FFEDLO CC[C@H](C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cccc(F)c2C#N)C1 ZINC001052723739 1018057327 /nfs/dbraw/zinc/05/73/27/1018057327.db2.gz XYIIMITXGTUTKI-JCKWVBRZSA-N 1 2 369.444 2.883 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccc3[nH]ccc31)C2 ZINC001097874406 1018115701 /nfs/dbraw/zinc/11/57/01/1018115701.db2.gz LIQWJASPFIUROR-AHRSYUTCSA-N 1 2 371.444 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccc3[nH]ccc31)C2 ZINC001097874406 1018115708 /nfs/dbraw/zinc/11/57/08/1018115708.db2.gz LIQWJASPFIUROR-AHRSYUTCSA-N 1 2 371.444 2.970 20 30 FFEDLO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1)c1cccc(C#N)c1O ZINC000926628179 1018187225 /nfs/dbraw/zinc/18/72/25/1018187225.db2.gz SVNRHBJLKDZGKP-QRFRQXIXSA-N 1 2 364.449 2.919 20 30 FFEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1[C@@H](c3ccccc3)C1(C)C)CCO2 ZINC001053259326 1018226632 /nfs/dbraw/zinc/22/66/32/1018226632.db2.gz PXQQQWMCPRIOKY-MOPGFXCFSA-N 1 2 354.494 2.916 20 30 FFEDLO CCC[C@@H](C)CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001217493899 1032757106 /nfs/dbraw/zinc/75/71/06/1032757106.db2.gz QSXGTLVIOYZJAW-HLAWJBBLSA-N 1 2 354.494 2.776 20 30 FFEDLO CCC[C@@H](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001217493899 1032757125 /nfs/dbraw/zinc/75/71/25/1032757125.db2.gz QSXGTLVIOYZJAW-HLAWJBBLSA-N 1 2 354.494 2.776 20 30 FFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000827515809 1018393676 /nfs/dbraw/zinc/39/36/76/1018393676.db2.gz QHFGVHXJQXVYHF-IEBWSBKVSA-N 1 2 366.465 2.740 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Cl)c(OC)cc1F ZINC001276756509 1032775737 /nfs/dbraw/zinc/77/57/37/1032775737.db2.gz STBATGNOOUKJCO-HZPDHXFCSA-N 1 2 350.821 2.686 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)c(OC)cc1F ZINC001276756509 1032775746 /nfs/dbraw/zinc/77/57/46/1032775746.db2.gz STBATGNOOUKJCO-HZPDHXFCSA-N 1 2 350.821 2.686 20 30 FFEDLO CC(C)(C)/C=C\C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001217566109 1032785525 /nfs/dbraw/zinc/78/55/25/1032785525.db2.gz HEWMLEGATXIVMF-QVOWHETESA-N 1 2 359.495 2.634 20 30 FFEDLO CC(C)(C)/C=C\C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001217566109 1032785540 /nfs/dbraw/zinc/78/55/40/1032785540.db2.gz HEWMLEGATXIVMF-QVOWHETESA-N 1 2 359.495 2.634 20 30 FFEDLO Cn1nccc1N[NH+]=Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000901221390 1018840481 /nfs/dbraw/zinc/84/04/81/1018840481.db2.gz ZBOMVKMFBIDAAE-UHFFFAOYSA-N 1 2 374.445 2.516 20 30 FFEDLO CC(C)C[C@@H](C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)n1cc[nH+]c1 ZINC000928722824 1019097693 /nfs/dbraw/zinc/09/76/93/1019097693.db2.gz XKIWNGSZWZUVSZ-MSOLQXFVSA-N 1 2 366.469 2.840 20 30 FFEDLO Cc1cc(C)c(C(=O)N[C@@H]2CN(c3ncc(C#N)cc3F)C[C@H]2C)c(C)[nH+]1 ZINC001042683581 1019102563 /nfs/dbraw/zinc/10/25/63/1019102563.db2.gz BXUICZWQQIRCQK-SJKOYZFVSA-N 1 2 367.428 2.667 20 30 FFEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CCOCC1 ZINC001098045640 1019145432 /nfs/dbraw/zinc/14/54/32/1019145432.db2.gz MMHYQYXTAGGTKP-QRVBRYPASA-N 1 2 353.466 2.596 20 30 FFEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CCOCC1 ZINC001098045640 1019145438 /nfs/dbraw/zinc/14/54/38/1019145438.db2.gz MMHYQYXTAGGTKP-QRVBRYPASA-N 1 2 353.466 2.596 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CC[C@H](CNC(=O)c3cccc4[nH+]ccn43)C2)cn1 ZINC001047445734 1019246207 /nfs/dbraw/zinc/24/62/07/1019246207.db2.gz BPAJCKBVPYNWNO-LSDHHAIUSA-N 1 2 360.421 2.612 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CC[C@@H](C4CC4)O3)CC2)cc1 ZINC000929363434 1019389450 /nfs/dbraw/zinc/38/94/50/1019389450.db2.gz QTEIVELDPOJPLR-UXHICEINSA-N 1 2 353.466 2.550 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1N(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001069289359 1019411378 /nfs/dbraw/zinc/41/13/78/1019411378.db2.gz YTRNELIIFLTZNI-BMQTXXJKSA-N 1 2 370.497 2.611 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)c(C)o1 ZINC001096234170 1019512301 /nfs/dbraw/zinc/51/23/01/1019512301.db2.gz NEULEYHZUMDLKK-NJAFHUGGSA-N 1 2 368.412 2.838 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)c(C)o1 ZINC001096234170 1019512311 /nfs/dbraw/zinc/51/23/11/1019512311.db2.gz NEULEYHZUMDLKK-NJAFHUGGSA-N 1 2 368.412 2.838 20 30 FFEDLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)CCCOC1 ZINC001096252731 1019625456 /nfs/dbraw/zinc/62/54/56/1019625456.db2.gz WNXOXUJEFCVJNC-SAJDGTNDSA-N 1 2 371.456 2.736 20 30 FFEDLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)CCCOC1 ZINC001096252731 1019625464 /nfs/dbraw/zinc/62/54/64/1019625464.db2.gz WNXOXUJEFCVJNC-SAJDGTNDSA-N 1 2 371.456 2.736 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2cccc(OC)c2)C1 ZINC001044037177 1019640610 /nfs/dbraw/zinc/64/06/10/1019640610.db2.gz DJFLUGRFISHYFV-XPGWFJOJSA-N 1 2 358.482 2.880 20 30 FFEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc3cccc(C)c3s2)[C@@H](n2ccnn2)C1 ZINC001069962036 1019695583 /nfs/dbraw/zinc/69/55/83/1019695583.db2.gz APRFGWUNRFFDDP-CVEARBPZSA-N 1 2 367.478 2.643 20 30 FFEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc3cccc(C)c3s2)[C@@H](n2ccnn2)C1 ZINC001069962036 1019695592 /nfs/dbraw/zinc/69/55/92/1019695592.db2.gz APRFGWUNRFFDDP-CVEARBPZSA-N 1 2 367.478 2.643 20 30 FFEDLO N#Cc1ccccc1OCc1ccc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)o1 ZINC000802233016 1019915228 /nfs/dbraw/zinc/91/52/28/1019915228.db2.gz GRGUCOIXJXDTAX-OAHLLOKOSA-N 1 2 358.369 2.931 20 30 FFEDLO N#Cc1ccccc1OCc1ccc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)o1 ZINC000802233016 1019915237 /nfs/dbraw/zinc/91/52/37/1019915237.db2.gz GRGUCOIXJXDTAX-OAHLLOKOSA-N 1 2 358.369 2.931 20 30 FFEDLO N#Cc1cccc(OCc2ccoc2C(=O)O[C@H]2CC[N@@H+](CCF)C2)c1 ZINC000802242349 1019923968 /nfs/dbraw/zinc/92/39/68/1019923968.db2.gz HEXMFRPEPDJVGN-KRWDZBQOSA-N 1 2 358.369 2.931 20 30 FFEDLO N#Cc1cccc(OCc2ccoc2C(=O)O[C@H]2CC[N@H+](CCF)C2)c1 ZINC000802242349 1019923975 /nfs/dbraw/zinc/92/39/75/1019923975.db2.gz HEXMFRPEPDJVGN-KRWDZBQOSA-N 1 2 358.369 2.931 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ocnc1C(F)F ZINC001096022575 1019955048 /nfs/dbraw/zinc/95/50/48/1019955048.db2.gz YODPUJMKLOCTQR-PMPSAXMXSA-N 1 2 371.387 2.999 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ocnc1C(F)F ZINC001096022575 1019955055 /nfs/dbraw/zinc/95/50/55/1019955055.db2.gz YODPUJMKLOCTQR-PMPSAXMXSA-N 1 2 371.387 2.999 20 30 FFEDLO CC1(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC[NH+](CC#Cc2ccccc2)CC1 ZINC001045467176 1019979752 /nfs/dbraw/zinc/97/97/52/1019979752.db2.gz IENPBDXSCVARTF-RTBURBONSA-N 1 2 362.477 2.536 20 30 FFEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1Nc1cccc(F)c1C#N ZINC001045534629 1020011645 /nfs/dbraw/zinc/01/16/45/1020011645.db2.gz SMXAIBRIOXLJEW-QZTJIDSGSA-N 1 2 355.417 2.513 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001096032856 1020041498 /nfs/dbraw/zinc/04/14/98/1020041498.db2.gz TYBJAVKJNLNOAY-NSYSGPAISA-N 1 2 372.896 2.838 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001096032856 1020041507 /nfs/dbraw/zinc/04/15/07/1020041507.db2.gz TYBJAVKJNLNOAY-NSYSGPAISA-N 1 2 372.896 2.838 20 30 FFEDLO CC(C)c1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)[nH]n1 ZINC001096046650 1020190625 /nfs/dbraw/zinc/19/06/25/1020190625.db2.gz AFJYVDQJJMCQRP-LMNJBCLMSA-N 1 2 362.477 2.920 20 30 FFEDLO CC(C)c1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)[nH]n1 ZINC001096046650 1020190632 /nfs/dbraw/zinc/19/06/32/1020190632.db2.gz AFJYVDQJJMCQRP-LMNJBCLMSA-N 1 2 362.477 2.920 20 30 FFEDLO C[C@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)Cc2ccccc21 ZINC000725765292 1020253360 /nfs/dbraw/zinc/25/33/60/1020253360.db2.gz LXSBBTMZVLRWDD-NYHFZMIOSA-N 1 2 374.444 2.902 20 30 FFEDLO C[C@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)Cc2ccccc21 ZINC000725765292 1020253368 /nfs/dbraw/zinc/25/33/68/1020253368.db2.gz LXSBBTMZVLRWDD-NYHFZMIOSA-N 1 2 374.444 2.902 20 30 FFEDLO CCn1nc(C)cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001096056896 1020325576 /nfs/dbraw/zinc/32/55/76/1020325576.db2.gz GAEKPGCREGMJFQ-COXVUDFISA-N 1 2 369.494 2.680 20 30 FFEDLO CCn1nc(C)cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001096056896 1020325583 /nfs/dbraw/zinc/32/55/83/1020325583.db2.gz GAEKPGCREGMJFQ-COXVUDFISA-N 1 2 369.494 2.680 20 30 FFEDLO C#CC1(O)CC[NH+](Cc2csc(CC(=O)Nc3ccccc3C)n2)CC1 ZINC000931147110 1020347759 /nfs/dbraw/zinc/34/77/59/1020347759.db2.gz RYZAVHQXBHPFBN-UHFFFAOYSA-N 1 2 369.490 2.593 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001096437183 1020588418 /nfs/dbraw/zinc/58/84/18/1020588418.db2.gz ZCCMMCGXYXSTKA-DYXWJJEUSA-N 1 2 363.461 2.737 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001096437183 1020588424 /nfs/dbraw/zinc/58/84/24/1020588424.db2.gz ZCCMMCGXYXSTKA-DYXWJJEUSA-N 1 2 363.461 2.737 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000931796336 1020590489 /nfs/dbraw/zinc/59/04/89/1020590489.db2.gz JJYRJHQAWMBYEQ-IBGZPJMESA-N 1 2 371.872 2.773 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000931796336 1020590493 /nfs/dbraw/zinc/59/04/93/1020590493.db2.gz JJYRJHQAWMBYEQ-IBGZPJMESA-N 1 2 371.872 2.773 20 30 FFEDLO Cc1nc([C@H]2CC[N@H+](CC(=O)N(CCC#N)c3ccc(C)c(C)c3)C2)no1 ZINC000931947621 1020640908 /nfs/dbraw/zinc/64/09/08/1020640908.db2.gz SOQVKOHHGZVMKB-KRWDZBQOSA-N 1 2 367.453 2.731 20 30 FFEDLO Cc1nc([C@H]2CC[N@@H+](CC(=O)N(CCC#N)c3ccc(C)c(C)c3)C2)no1 ZINC000931947621 1020640912 /nfs/dbraw/zinc/64/09/12/1020640912.db2.gz SOQVKOHHGZVMKB-KRWDZBQOSA-N 1 2 367.453 2.731 20 30 FFEDLO Cc1nc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)no1 ZINC000931948850 1020641197 /nfs/dbraw/zinc/64/11/97/1020641197.db2.gz LCVZTZOSEVKDLR-DOTOQJQBSA-N 1 2 367.453 2.811 20 30 FFEDLO Cc1nc([C@@H]2CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)no1 ZINC000931948850 1020641198 /nfs/dbraw/zinc/64/11/98/1020641198.db2.gz LCVZTZOSEVKDLR-DOTOQJQBSA-N 1 2 367.453 2.811 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(OC(C)C)ncc1F ZINC001276764827 1032924574 /nfs/dbraw/zinc/92/45/74/1032924574.db2.gz ISIGGAUUVAGEPQ-FQEVSTJZSA-N 1 2 359.445 2.598 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(OC(C)C)ncc1F ZINC001276764827 1032924582 /nfs/dbraw/zinc/92/45/82/1032924582.db2.gz ISIGGAUUVAGEPQ-FQEVSTJZSA-N 1 2 359.445 2.598 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CCN1c1ccncc1C#N ZINC001049085381 1020728503 /nfs/dbraw/zinc/72/85/03/1020728503.db2.gz IMCUMICEBVUERW-FUHWJXTLSA-N 1 2 360.421 2.617 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)no1 ZINC001098243380 1020758771 /nfs/dbraw/zinc/75/87/71/1020758771.db2.gz PKXGWGCYIYGYLX-BJZITVGISA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)no1 ZINC001098243380 1020758775 /nfs/dbraw/zinc/75/87/75/1020758775.db2.gz PKXGWGCYIYGYLX-BJZITVGISA-N 1 2 368.412 2.783 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OC)cc1OC)C2 ZINC001098274967 1020782062 /nfs/dbraw/zinc/78/20/62/1020782062.db2.gz HDLPLOPSJQGQBH-WQVCFCJDSA-N 1 2 350.846 2.791 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OC)cc1OC)C2 ZINC001098274967 1020782068 /nfs/dbraw/zinc/78/20/68/1020782068.db2.gz HDLPLOPSJQGQBH-WQVCFCJDSA-N 1 2 350.846 2.791 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098324195 1020827882 /nfs/dbraw/zinc/82/78/82/1020827882.db2.gz CWUUUQNNBADGHC-XCRHUMRWSA-N 1 2 358.486 2.562 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3OC)C2)nn1 ZINC000932632707 1020855947 /nfs/dbraw/zinc/85/59/47/1020855947.db2.gz HKSWWHMDFINZOI-MRXNPFEDSA-N 1 2 369.469 2.714 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3OC)C2)nn1 ZINC000932632707 1020855955 /nfs/dbraw/zinc/85/59/55/1020855955.db2.gz HKSWWHMDFINZOI-MRXNPFEDSA-N 1 2 369.469 2.714 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1Cc3cccc(F)c3O1)C2 ZINC001098440432 1020909934 /nfs/dbraw/zinc/90/99/34/1020909934.db2.gz ZJYDQQHCHYNYGZ-OJLVUWQFSA-N 1 2 350.821 2.603 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1Cc3cccc(F)c3O1)C2 ZINC001098440432 1020909937 /nfs/dbraw/zinc/90/99/37/1020909937.db2.gz ZJYDQQHCHYNYGZ-OJLVUWQFSA-N 1 2 350.821 2.603 20 30 FFEDLO C=CCn1ncc2ccc(NC(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)cc21 ZINC000933075276 1020951802 /nfs/dbraw/zinc/95/18/02/1020951802.db2.gz WZMWDLKQXPZCCF-OAHLLOKOSA-N 1 2 350.426 2.977 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COc3ccccc31)C2 ZINC001098494281 1020966112 /nfs/dbraw/zinc/96/61/12/1020966112.db2.gz CDVLRSXIVKCJPW-WLRLJWMZSA-N 1 2 373.456 2.956 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COc3ccccc31)C2 ZINC001098494281 1020966120 /nfs/dbraw/zinc/96/61/20/1020966120.db2.gz CDVLRSXIVKCJPW-WLRLJWMZSA-N 1 2 373.456 2.956 20 30 FFEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@H](C)C1 ZINC000933172146 1020970586 /nfs/dbraw/zinc/97/05/86/1020970586.db2.gz GLDNAOUWBJKPAT-SJLPKXTDSA-N 1 2 371.481 2.824 20 30 FFEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@H](C)C1 ZINC000933172146 1020970594 /nfs/dbraw/zinc/97/05/94/1020970594.db2.gz GLDNAOUWBJKPAT-SJLPKXTDSA-N 1 2 371.481 2.824 20 30 FFEDLO COc1ccc(OC)c([C@H](O)C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c1 ZINC000933625413 1021051681 /nfs/dbraw/zinc/05/16/81/1021051681.db2.gz SRHMWGPZAOBBLU-CTNGQTDRSA-N 1 2 368.433 2.682 20 30 FFEDLO COc1ccc(OC)c([C@H](O)C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c1 ZINC000933625413 1021051683 /nfs/dbraw/zinc/05/16/83/1021051683.db2.gz SRHMWGPZAOBBLU-CTNGQTDRSA-N 1 2 368.433 2.682 20 30 FFEDLO CCCCCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(C#N)cc1 ZINC000749850689 1021062780 /nfs/dbraw/zinc/06/27/80/1021062780.db2.gz ATCDPAZMYOCIGY-UHFFFAOYSA-N 1 2 357.498 2.842 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2coc(C4CC4)n2)C3)[nH]1 ZINC001098798576 1021156217 /nfs/dbraw/zinc/15/62/17/1021156217.db2.gz ZSGCNVXGBIEDSO-XOBRGWDASA-N 1 2 365.437 2.536 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2coc(C4CC4)n2)C3)[nH]1 ZINC001098798576 1021156220 /nfs/dbraw/zinc/15/62/20/1021156220.db2.gz ZSGCNVXGBIEDSO-XOBRGWDASA-N 1 2 365.437 2.536 20 30 FFEDLO O=C(N[C@]12CCC[C@H]1C[N@@H+](CC#Cc1ccc(F)cc1)C2)c1ccns1 ZINC001098861346 1021263469 /nfs/dbraw/zinc/26/34/69/1021263469.db2.gz QGNWRXZFMDCDAU-JXFKEZNVSA-N 1 2 369.465 2.918 20 30 FFEDLO O=C(N[C@]12CCC[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2)c1ccns1 ZINC001098861346 1021263474 /nfs/dbraw/zinc/26/34/74/1021263474.db2.gz QGNWRXZFMDCDAU-JXFKEZNVSA-N 1 2 369.465 2.918 20 30 FFEDLO C=CC[C@@H]([NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)C(=O)OCC ZINC001116790615 1021416997 /nfs/dbraw/zinc/41/69/97/1021416997.db2.gz YDUDCWUPGTZQQE-JTTJXQCZSA-N 1 2 370.449 2.691 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(C(C)(C)C)on3)[C@H]2C1 ZINC001222448589 1032980437 /nfs/dbraw/zinc/98/04/37/1032980437.db2.gz WLMZAEWOAAFHSO-WBVHZDCISA-N 1 2 361.486 2.598 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2CC[N@H+](Cc3cc(C(C)(C)C)on3)[C@H]2C1 ZINC001222448589 1032980451 /nfs/dbraw/zinc/98/04/51/1032980451.db2.gz WLMZAEWOAAFHSO-WBVHZDCISA-N 1 2 361.486 2.598 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001010839686 1021504381 /nfs/dbraw/zinc/50/43/81/1021504381.db2.gz HEWIVCFNAJQRGK-QINHECLXSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001010839686 1021504390 /nfs/dbraw/zinc/50/43/90/1021504390.db2.gz HEWIVCFNAJQRGK-QINHECLXSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3c(C)nn(C)c3Cl)C2)CC1 ZINC001137745085 1032998927 /nfs/dbraw/zinc/99/89/27/1032998927.db2.gz FGJFUDXDPISVBU-UHFFFAOYSA-N 1 2 352.866 2.602 20 30 FFEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000935487830 1021733709 /nfs/dbraw/zinc/73/37/09/1021733709.db2.gz JAOWWVJNXRMTFG-CABCVRRESA-N 1 2 362.474 2.564 20 30 FFEDLO Cn1nc(C2CC2)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001117793644 1021895348 /nfs/dbraw/zinc/89/53/48/1021895348.db2.gz VYUVTYRYFBTPIZ-UHFFFAOYSA-N 1 2 364.453 2.519 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](Oc2ccccc2/C=C/C(=O)c2ccccc2)C[NH2+]1 ZINC001218172148 1033027680 /nfs/dbraw/zinc/02/76/80/1033027680.db2.gz FXXXBYGGYNYKMO-HGFSOSMJSA-N 1 2 351.402 2.865 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cnns2)C1 ZINC001099302241 1022259001 /nfs/dbraw/zinc/25/90/01/1022259001.db2.gz LRNDULOSULEHNP-YRGRVCCFSA-N 1 2 362.421 2.619 20 30 FFEDLO CCOCCO[C@H]1CC[N@H+](CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C1 ZINC000157587904 1022444639 /nfs/dbraw/zinc/44/46/39/1022444639.db2.gz HPLVEHNJYGIBLZ-SXZORUHJSA-N 1 2 372.509 2.994 20 30 FFEDLO CCOCCO[C@H]1CC[N@@H+](CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C1 ZINC000157587904 1022444642 /nfs/dbraw/zinc/44/46/42/1022444642.db2.gz HPLVEHNJYGIBLZ-SXZORUHJSA-N 1 2 372.509 2.994 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CCCCC)C(C)C)C2 ZINC001111247196 1022644598 /nfs/dbraw/zinc/64/45/98/1022644598.db2.gz MNGIYBWEBRKTQF-MKXGPGLRSA-N 1 2 363.546 2.863 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CCCCC)C(C)C)C2 ZINC001111247196 1022644606 /nfs/dbraw/zinc/64/46/06/1022644606.db2.gz MNGIYBWEBRKTQF-MKXGPGLRSA-N 1 2 363.546 2.863 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001099734198 1022789241 /nfs/dbraw/zinc/78/92/41/1022789241.db2.gz ZRPMVRNZHLKATG-SKDZVZGDSA-N 1 2 358.486 2.950 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)[C@@H]1C ZINC001040252572 1022811032 /nfs/dbraw/zinc/81/10/32/1022811032.db2.gz SWGXJRVNIXNQGX-YVSFHVDLSA-N 1 2 358.486 2.901 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(F)c[nH]2)C3)c(F)c1 ZINC001095778215 1022829434 /nfs/dbraw/zinc/82/94/34/1022829434.db2.gz OQYATRORDLXXCC-HFTRVMKXSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(F)c[nH]2)C3)c(F)c1 ZINC001095778215 1022829448 /nfs/dbraw/zinc/82/94/48/1022829448.db2.gz OQYATRORDLXXCC-HFTRVMKXSA-N 1 2 356.376 2.700 20 30 FFEDLO C=C1CCC(CNC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC001119820703 1023114142 /nfs/dbraw/zinc/11/41/42/1023114142.db2.gz WBGVXVPBSRQVHL-IBGZPJMESA-N 1 2 366.465 2.603 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2cccc(C)c2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001122395494 1023240578 /nfs/dbraw/zinc/24/05/78/1023240578.db2.gz OJMDDXBTINWBHD-GHTZIAJQSA-N 1 2 369.513 2.711 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2cccc(C)c2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001122395494 1023240581 /nfs/dbraw/zinc/24/05/81/1023240581.db2.gz OJMDDXBTINWBHD-GHTZIAJQSA-N 1 2 369.513 2.711 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCc2ccccc21 ZINC001122479520 1023296102 /nfs/dbraw/zinc/29/61/02/1023296102.db2.gz VNGYEZIYAWAWOP-UHFFFAOYSA-N 1 2 367.497 2.753 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC(C#N)CC1 ZINC001122626715 1023376482 /nfs/dbraw/zinc/37/64/82/1023376482.db2.gz AMZATIPXKYMADX-ZWKOTPCHSA-N 1 2 370.501 2.520 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC(C#N)CC1 ZINC001122626715 1023376486 /nfs/dbraw/zinc/37/64/86/1023376486.db2.gz AMZATIPXKYMADX-ZWKOTPCHSA-N 1 2 370.501 2.520 20 30 FFEDLO C=C(C)Cn1c(-c2ncoc2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001122637207 1023382415 /nfs/dbraw/zinc/38/24/15/1023382415.db2.gz SUTMMBIDYORDMY-UHFFFAOYSA-N 1 2 365.441 2.539 20 30 FFEDLO CCOc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)c2ccc3c(c2)CCO3)cc1 ZINC000753822009 1023385861 /nfs/dbraw/zinc/38/58/61/1023385861.db2.gz FWACEIVGPXEWKG-CYBMUJFWSA-N 1 2 369.421 2.684 20 30 FFEDLO C[C@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000753829797 1023386676 /nfs/dbraw/zinc/38/66/76/1023386676.db2.gz LBYZQTRPKOEDIY-XJIUQZFPSA-N 1 2 359.470 2.588 20 30 FFEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)[C@@H]2C1 ZINC000754796004 1023519873 /nfs/dbraw/zinc/51/98/73/1023519873.db2.gz LBUKHVDFIOWASW-RLLQIKCJSA-N 1 2 352.438 2.648 20 30 FFEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)[C@@H]2C1 ZINC000754796004 1023519876 /nfs/dbraw/zinc/51/98/76/1023519876.db2.gz LBUKHVDFIOWASW-RLLQIKCJSA-N 1 2 352.438 2.648 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2C[C@@H]2CCCCO2)C1 ZINC001123149611 1023657188 /nfs/dbraw/zinc/65/71/88/1023657188.db2.gz URJTXNKBMDLKGK-OALUTQOASA-N 1 2 371.529 2.683 20 30 FFEDLO C#CC1CCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2C[C@H]2CCCCO2)CC1 ZINC001123304159 1023733028 /nfs/dbraw/zinc/73/30/28/1023733028.db2.gz PIRNAHFCZKFTQI-MOPGFXCFSA-N 1 2 371.529 2.854 20 30 FFEDLO C#CC1CCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2C[C@H]2CCCCO2)CC1 ZINC001123304159 1023733032 /nfs/dbraw/zinc/73/30/32/1023733032.db2.gz PIRNAHFCZKFTQI-MOPGFXCFSA-N 1 2 371.529 2.854 20 30 FFEDLO C=CCN(CCc1ccco1)c1nnc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1C ZINC001121433896 1023772220 /nfs/dbraw/zinc/77/22/20/1023772220.db2.gz MZDBMXIETHVWJB-WMZOPIPTSA-N 1 2 371.485 2.569 20 30 FFEDLO C=CCN(CCc1ccco1)c1nnc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1C ZINC001121433896 1023772226 /nfs/dbraw/zinc/77/22/26/1023772226.db2.gz MZDBMXIETHVWJB-WMZOPIPTSA-N 1 2 371.485 2.569 20 30 FFEDLO C=CCn1c([C@H](CC)[C@H](C)O)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001121489633 1023806043 /nfs/dbraw/zinc/80/60/43/1023806043.db2.gz NYVUCMSLTZQSNO-DOTOQJQBSA-N 1 2 370.501 2.814 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc([C@@]2(C)C[C@@H](O)C[N@H+]2C)n1CC1CC1 ZINC001123514614 1023842922 /nfs/dbraw/zinc/84/29/22/1023842922.db2.gz DVFGRQIAEXWNGD-MBOZVWFJSA-N 1 2 359.518 2.535 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc([C@@]2(C)C[C@@H](O)C[N@@H+]2C)n1CC1CC1 ZINC001123514614 1023842929 /nfs/dbraw/zinc/84/29/29/1023842929.db2.gz DVFGRQIAEXWNGD-MBOZVWFJSA-N 1 2 359.518 2.535 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCO[C@H](CC)C1 ZINC001121590790 1023867982 /nfs/dbraw/zinc/86/79/82/1023867982.db2.gz QPABLBUOXMYXHF-IAGOWNOFSA-N 1 2 358.490 2.911 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)[C@@H]1CC[C@H]1OC ZINC001121591212 1023868056 /nfs/dbraw/zinc/86/80/56/1023868056.db2.gz WSTUUIWHOMUPIQ-BRWVUGGUSA-N 1 2 358.490 2.910 20 30 FFEDLO C=CCn1c(C(F)F)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001121601047 1023874451 /nfs/dbraw/zinc/87/44/51/1023874451.db2.gz WAIMKBJAMVYPOG-UHFFFAOYSA-N 1 2 351.376 2.863 20 30 FFEDLO C=CCn1c(N2C[C@H](C)c3ccccc32)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121606820 1023878400 /nfs/dbraw/zinc/87/84/00/1023878400.db2.gz DKLXAGPBOOBFCN-BXTJHSDWSA-N 1 2 353.470 2.631 20 30 FFEDLO C=CCn1c(N2C[C@H](C)c3ccccc32)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121606820 1023878404 /nfs/dbraw/zinc/87/84/04/1023878404.db2.gz DKLXAGPBOOBFCN-BXTJHSDWSA-N 1 2 353.470 2.631 20 30 FFEDLO C=CCn1c(N2Cc3cccc(Cl)c3C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121710025 1023939411 /nfs/dbraw/zinc/93/94/11/1023939411.db2.gz YBVRZOUDFIZEGI-KUHUBIRLSA-N 1 2 373.888 2.549 20 30 FFEDLO C=CCn1c(N2Cc3cccc(Cl)c3C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121710025 1023939418 /nfs/dbraw/zinc/93/94/18/1023939418.db2.gz YBVRZOUDFIZEGI-KUHUBIRLSA-N 1 2 373.888 2.549 20 30 FFEDLO Cc1ccn(C[N@H+]2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(=O)c1C#N ZINC000758239331 1023989580 /nfs/dbraw/zinc/98/95/80/1023989580.db2.gz YBTRDSBJGJQALW-JKSUJKDBSA-N 1 2 374.485 2.611 20 30 FFEDLO Cc1ccn(C[N@@H+]2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(=O)c1C#N ZINC000758239331 1023989584 /nfs/dbraw/zinc/98/95/84/1023989584.db2.gz YBTRDSBJGJQALW-JKSUJKDBSA-N 1 2 374.485 2.611 20 30 FFEDLO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cn1cccc(C#N)c1=O ZINC000758243187 1023992080 /nfs/dbraw/zinc/99/20/80/1023992080.db2.gz ZVNJDDDPVXNQIJ-ALOPSCKCSA-N 1 2 372.469 2.588 20 30 FFEDLO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cn1cccc(C#N)c1=O ZINC000758243187 1023992092 /nfs/dbraw/zinc/99/20/92/1023992092.db2.gz ZVNJDDDPVXNQIJ-ALOPSCKCSA-N 1 2 372.469 2.588 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101248517 1024184367 /nfs/dbraw/zinc/18/43/67/1024184367.db2.gz GNMBSBHJESHUPC-UTKZUKDTSA-N 1 2 371.529 2.977 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101248517 1024184370 /nfs/dbraw/zinc/18/43/70/1024184370.db2.gz GNMBSBHJESHUPC-UTKZUKDTSA-N 1 2 371.529 2.977 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nc(C(C)C)no4)C[C@@]3(C)C2)CCC1 ZINC001101266780 1024262857 /nfs/dbraw/zinc/26/28/57/1024262857.db2.gz VMBKLELRVSFBOQ-UZLBHIALSA-N 1 2 370.497 2.667 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nc(C(C)C)no4)C[C@@]3(C)C2)CCC1 ZINC001101266780 1024262871 /nfs/dbraw/zinc/26/28/71/1024262871.db2.gz VMBKLELRVSFBOQ-UZLBHIALSA-N 1 2 370.497 2.667 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)cc1 ZINC001124075905 1024273175 /nfs/dbraw/zinc/27/31/75/1024273175.db2.gz VQFQFYYUFLQDDF-FQEVSTJZSA-N 1 2 363.465 2.731 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nc(CCC)no3)C[C@@]2(C)C1 ZINC001101337639 1024486003 /nfs/dbraw/zinc/48/60/03/1024486003.db2.gz HDKYDZTVJDJDDT-QINHECLXSA-N 1 2 360.502 2.905 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nc(CCC)no3)C[C@@]2(C)C1 ZINC001101337639 1024486005 /nfs/dbraw/zinc/48/60/05/1024486005.db2.gz HDKYDZTVJDJDDT-QINHECLXSA-N 1 2 360.502 2.905 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@@H+]([C@@H](C)c4nnc(CC)[nH]4)C[C@@]3(C)C2)CC1 ZINC001101355033 1024533199 /nfs/dbraw/zinc/53/31/99/1024533199.db2.gz KTZOCUAVETVGHF-YRNRMSPPSA-N 1 2 371.529 2.955 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@H+]([C@@H](C)c4nnc(CC)[nH]4)C[C@@]3(C)C2)CC1 ZINC001101355033 1024533205 /nfs/dbraw/zinc/53/32/05/1024533205.db2.gz KTZOCUAVETVGHF-YRNRMSPPSA-N 1 2 371.529 2.955 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000951699692 1024661433 /nfs/dbraw/zinc/66/14/33/1024661433.db2.gz LEFBQGLLNQUAKW-VDGAXYAQSA-N 1 2 358.482 2.882 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000951712295 1024673639 /nfs/dbraw/zinc/67/36/39/1024673639.db2.gz UMZORUDTOJTOML-LPHOPBHVSA-N 1 2 364.436 2.633 20 30 FFEDLO CC(C)C#CC(=O)NC[C@@H]1C[N@H+](Cc2noc(-c3ccccc3)n2)C[C@H]1C ZINC001101948844 1025205578 /nfs/dbraw/zinc/20/55/78/1025205578.db2.gz INNMCYNQYVVMRY-SJLPKXTDSA-N 1 2 366.465 2.580 20 30 FFEDLO CC(C)C#CC(=O)NC[C@@H]1C[N@@H+](Cc2noc(-c3ccccc3)n2)C[C@H]1C ZINC001101948844 1025205589 /nfs/dbraw/zinc/20/55/89/1025205589.db2.gz INNMCYNQYVVMRY-SJLPKXTDSA-N 1 2 366.465 2.580 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2nc(C(F)(F)F)cs2)C[C@H]1CNC(=O)C#CC1CC1 ZINC001101951378 1025208589 /nfs/dbraw/zinc/20/85/89/1025208589.db2.gz NAKRMUHLXVVNAX-DGCLKSJQSA-N 1 2 371.428 2.759 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2nc(C(F)(F)F)cs2)C[C@H]1CNC(=O)C#CC1CC1 ZINC001101951378 1025208590 /nfs/dbraw/zinc/20/85/90/1025208590.db2.gz NAKRMUHLXVVNAX-DGCLKSJQSA-N 1 2 371.428 2.759 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000953188036 1025268758 /nfs/dbraw/zinc/26/87/58/1025268758.db2.gz JRMMKYDGHNTVEQ-ZOCZFRKYSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000953188036 1025268770 /nfs/dbraw/zinc/26/87/70/1025268770.db2.gz JRMMKYDGHNTVEQ-ZOCZFRKYSA-N 1 2 370.497 2.567 20 30 FFEDLO N#Cc1c(N)sc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)c1Cl ZINC001141111772 1025471741 /nfs/dbraw/zinc/47/17/41/1025471741.db2.gz CDYGNSKYPJHOBC-LBPRGKRZSA-N 1 2 352.891 2.832 20 30 FFEDLO N#Cc1c(N)sc(C[N@H+]2CCCC[C@H]2C(=O)N2CCCC2)c1Cl ZINC001141111772 1025471747 /nfs/dbraw/zinc/47/17/47/1025471747.db2.gz CDYGNSKYPJHOBC-LBPRGKRZSA-N 1 2 352.891 2.832 20 30 FFEDLO N#Cc1cc(F)ccc1C[NH+]1CCC2(C[C@@H](c3ccncc3)C(=O)N2)CC1 ZINC001141165569 1025550389 /nfs/dbraw/zinc/55/03/89/1025550389.db2.gz BUIBVVHYQKXAOE-IBGZPJMESA-N 1 2 364.424 2.731 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CCC)[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102262121 1025659747 /nfs/dbraw/zinc/65/97/47/1025659747.db2.gz QDHHJGALUYGQFY-KURKYZTESA-N 1 2 358.486 2.584 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001102262910 1025661274 /nfs/dbraw/zinc/66/12/74/1025661274.db2.gz PIHLWHUKPFCVFO-FRRDWIJNSA-N 1 2 356.417 2.794 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001102262910 1025661280 /nfs/dbraw/zinc/66/12/80/1025661280.db2.gz PIHLWHUKPFCVFO-FRRDWIJNSA-N 1 2 356.417 2.794 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC001141401228 1026181154 /nfs/dbraw/zinc/18/11/54/1026181154.db2.gz NAVZHSFTTWFMNT-MRXNPFEDSA-N 1 2 350.390 2.569 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC001141401228 1026181159 /nfs/dbraw/zinc/18/11/59/1026181159.db2.gz NAVZHSFTTWFMNT-MRXNPFEDSA-N 1 2 350.390 2.569 20 30 FFEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCC(C)(C)CC#N)CC2)cc1 ZINC000838491160 1026385762 /nfs/dbraw/zinc/38/57/62/1026385762.db2.gz KLVGZAQQYGPSLY-UHFFFAOYSA-N 1 2 357.502 2.960 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1sccc1C(N)=O ZINC000839469123 1026690201 /nfs/dbraw/zinc/69/02/01/1026690201.db2.gz JNTIFKSADZGNJK-CYBMUJFWSA-N 1 2 373.478 2.871 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1sccc1C(N)=O ZINC000839469123 1026690206 /nfs/dbraw/zinc/69/02/06/1026690206.db2.gz JNTIFKSADZGNJK-CYBMUJFWSA-N 1 2 373.478 2.871 20 30 FFEDLO C[C@@H]1C[NH+](C2CN(Cc3cc(C#N)ccc3Br)C2)C[C@@H](C)O1 ZINC001141664536 1026783069 /nfs/dbraw/zinc/78/30/69/1026783069.db2.gz PFWMCMYGJWOYBW-CHWSQXEVSA-N 1 2 364.287 2.614 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001102987973 1026861546 /nfs/dbraw/zinc/86/15/46/1026861546.db2.gz YPXMAMYDWZRWTA-BPLDGKMQSA-N 1 2 350.894 2.656 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001102987973 1026861554 /nfs/dbraw/zinc/86/15/54/1026861554.db2.gz YPXMAMYDWZRWTA-BPLDGKMQSA-N 1 2 350.894 2.656 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)nn1 ZINC000641065407 1027092885 /nfs/dbraw/zinc/09/28/85/1027092885.db2.gz FHEZDFCKFPEMQD-CYBMUJFWSA-N 1 2 370.844 2.628 20 30 FFEDLO C#Cc1ccc(C(=O)NCC[C@@H]2C[N@H+](Cc3noc(CC)n3)C[C@H]2C)cc1 ZINC001103301085 1027186146 /nfs/dbraw/zinc/18/61/46/1027186146.db2.gz QBXXPZRZSMHJOH-CRAIPNDOSA-N 1 2 366.465 2.501 20 30 FFEDLO C#Cc1ccc(C(=O)NCC[C@@H]2C[N@@H+](Cc3noc(CC)n3)C[C@H]2C)cc1 ZINC001103301085 1027186152 /nfs/dbraw/zinc/18/61/52/1027186152.db2.gz QBXXPZRZSMHJOH-CRAIPNDOSA-N 1 2 366.465 2.501 20 30 FFEDLO N#Cc1cc(C(F)(F)NCC[NH+]2CCC(F)(F)CC2)cnc1Cl ZINC001160749189 1027854463 /nfs/dbraw/zinc/85/44/63/1027854463.db2.gz MFZRLNRIDHJJGM-UHFFFAOYSA-N 1 2 350.747 2.977 20 30 FFEDLO COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)Nc1cc(CC#N)cc[nH+]1 ZINC001162829125 1028674312 /nfs/dbraw/zinc/67/43/12/1028674312.db2.gz AWJZGNJDFGPSGJ-IRXDYDNUSA-N 1 2 374.485 2.678 20 30 FFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780928054 1028876074 /nfs/dbraw/zinc/87/60/74/1028876074.db2.gz FNFLSSCNXDJCKG-QRWLVFNGSA-N 1 2 367.424 2.636 20 30 FFEDLO N#CCc1ccc[nH+]c1NC[C@@H]1OCCc2cn(Cc3ccccn3)nc21 ZINC001163533135 1028961469 /nfs/dbraw/zinc/96/14/69/1028961469.db2.gz GBKAOZDSURFHMD-SFHVURJKSA-N 1 2 360.421 2.513 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC#Cc1ccccc1Cl)C2 ZINC001111666743 1029094653 /nfs/dbraw/zinc/09/46/53/1029094653.db2.gz KUEIALGFEIBKRK-SYNHAJSKSA-N 1 2 355.869 2.822 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC001111666743 1029094667 /nfs/dbraw/zinc/09/46/67/1029094667.db2.gz KUEIALGFEIBKRK-SYNHAJSKSA-N 1 2 355.869 2.822 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1C#N)C2 ZINC001111672718 1029107489 /nfs/dbraw/zinc/10/74/89/1029107489.db2.gz KCWWMSYYSBYYGJ-UWJYYQICSA-N 1 2 353.466 2.644 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1C#N)C2 ZINC001111672718 1029107496 /nfs/dbraw/zinc/10/74/96/1029107496.db2.gz KCWWMSYYSBYYGJ-UWJYYQICSA-N 1 2 353.466 2.644 20 30 FFEDLO Cc1ccc(S(=O)(=O)c2ccc(N[NH+]=Cc3cnc(N)nc3)cc2)cc1 ZINC000781582467 1029286632 /nfs/dbraw/zinc/28/66/32/1029286632.db2.gz XAMDEGYBWZXKRE-UHFFFAOYSA-N 1 2 367.434 2.646 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(CC3CC3)no1)C2 ZINC001111742882 1029310754 /nfs/dbraw/zinc/31/07/54/1029310754.db2.gz QZUAIENWPSEAMQ-KKSFZXQISA-N 1 2 370.497 2.542 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(CC3CC3)no1)C2 ZINC001111742882 1029310761 /nfs/dbraw/zinc/31/07/61/1029310761.db2.gz QZUAIENWPSEAMQ-KKSFZXQISA-N 1 2 370.497 2.542 20 30 FFEDLO CCN(CC)C(=O)[C@H](C)Nc1cc(/C=N/[S@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001164609919 1029344049 /nfs/dbraw/zinc/34/40/49/1029344049.db2.gz BEENATZQJFEBST-QWARUDTOSA-N 1 2 366.531 2.940 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](OC)C2CCC2)C1 ZINC001111824111 1029560868 /nfs/dbraw/zinc/56/08/68/1029560868.db2.gz VFQPROMTHRJNEK-ZOBUZTSGSA-N 1 2 371.319 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](OC)C2CCC2)C1 ZINC001111824111 1029560871 /nfs/dbraw/zinc/56/08/71/1029560871.db2.gz VFQPROMTHRJNEK-ZOBUZTSGSA-N 1 2 371.319 2.681 20 30 FFEDLO COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1cc(C#N)cc(C)n1 ZINC001157509788 1029601970 /nfs/dbraw/zinc/60/19/70/1029601970.db2.gz BHGNLVULTLVETQ-IBGZPJMESA-N 1 2 364.449 2.516 20 30 FFEDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1cc(C#N)cc(C)n1 ZINC001157509788 1029601974 /nfs/dbraw/zinc/60/19/74/1029601974.db2.gz BHGNLVULTLVETQ-IBGZPJMESA-N 1 2 364.449 2.516 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2coc(-c3cccc(F)c3)n2)C[C@H]1C ZINC001206662878 1029669868 /nfs/dbraw/zinc/66/98/68/1029669868.db2.gz VJBRCKNZMNFUCY-PBFPGSCMSA-N 1 2 356.401 2.577 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C[C@H]1C ZINC001206662878 1029669872 /nfs/dbraw/zinc/66/98/72/1029669872.db2.gz VJBRCKNZMNFUCY-PBFPGSCMSA-N 1 2 356.401 2.577 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000782567580 1029748546 /nfs/dbraw/zinc/74/85/46/1029748546.db2.gz SVRRHYSQPYYQCC-CALCHBBNSA-N 1 2 363.502 2.661 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000782567580 1029748550 /nfs/dbraw/zinc/74/85/50/1029748550.db2.gz SVRRHYSQPYYQCC-CALCHBBNSA-N 1 2 363.502 2.661 20 30 FFEDLO O=C1c2ccccc2C(=O)C(Nc2cccc(N3CCOCC3)[nH+]2)=C1Cl ZINC001158185318 1029751089 /nfs/dbraw/zinc/75/10/89/1029751089.db2.gz PNZBUCGXEAQIEO-UHFFFAOYSA-N 1 2 369.808 2.860 20 30 FFEDLO N#Cc1c(N)sc2c1CCN(C(=O)Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001158223456 1029761124 /nfs/dbraw/zinc/76/11/24/1029761124.db2.gz KHAPYCHOUPOFNS-UHFFFAOYSA-N 1 2 363.446 2.515 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nccn2C(F)F)C1 ZINC001112063424 1029915604 /nfs/dbraw/zinc/91/56/04/1029915604.db2.gz DRYISNJVXYVNNC-GHMZBOCLSA-N 1 2 366.334 2.723 20 30 FFEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1c1cc(Cl)ncc1C#N ZINC001165653782 1030070849 /nfs/dbraw/zinc/07/08/49/1030070849.db2.gz YEGXCKCUMCDAQL-INIZCTEOSA-N 1 2 372.860 2.624 20 30 FFEDLO N#Cc1cc(Cl)nc(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c1 ZINC001165690417 1030082528 /nfs/dbraw/zinc/08/25/28/1030082528.db2.gz IZQXEENERMXADE-HNNXBMFYSA-N 1 2 357.845 2.866 20 30 FFEDLO C[C@]1(C#N)CCC[N@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC000784451525 1030626492 /nfs/dbraw/zinc/62/64/92/1030626492.db2.gz HJPGBJWJFCCJJD-LJQANCHMSA-N 1 2 374.510 2.680 20 30 FFEDLO C[C@]1(C#N)CCC[N@@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC000784451525 1030626501 /nfs/dbraw/zinc/62/65/01/1030626501.db2.gz HJPGBJWJFCCJJD-LJQANCHMSA-N 1 2 374.510 2.680 20 30 FFEDLO CC(C)(C)OC(=O)NCC1(O)CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000842167087 1030632141 /nfs/dbraw/zinc/63/21/41/1030632141.db2.gz VVBGHTFZLUIVDS-UHFFFAOYSA-N 1 2 363.433 2.549 20 30 FFEDLO C=CCC[C@H]1NC(=O)N(C2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1=O ZINC000842244229 1030655305 /nfs/dbraw/zinc/65/53/05/1030655305.db2.gz KWKRGHFXRALLAW-GOSISDBHSA-N 1 2 356.470 2.608 20 30 FFEDLO N#CCCN1CC[NH+](Cc2ccc(OC(F)F)c(OC(F)F)c2)CC1 ZINC001142818484 1030919200 /nfs/dbraw/zinc/91/92/00/1030919200.db2.gz LXGFUTUWRLUMMN-UHFFFAOYSA-N 1 2 361.339 2.921 20 30 FFEDLO C#CCN(C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1)C1CCCCC1 ZINC001142870936 1030975408 /nfs/dbraw/zinc/97/54/08/1030975408.db2.gz SVJMFZROJTVUIY-UHFFFAOYSA-N 1 2 370.493 2.856 20 30 FFEDLO C#CCN(C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1)C1CCCCC1 ZINC001142870936 1030975413 /nfs/dbraw/zinc/97/54/13/1030975413.db2.gz SVJMFZROJTVUIY-UHFFFAOYSA-N 1 2 370.493 2.856 20 30 FFEDLO CCCCOc1ccc(C[NH+]2CCN(c3nccnc3C#N)CC2)cc1 ZINC001203970868 1031022190 /nfs/dbraw/zinc/02/21/90/1031022190.db2.gz UGHTWTLPQOYSMX-UHFFFAOYSA-N 1 2 351.454 2.849 20 30 FFEDLO C=CCOc1ccc(C(=O)OCC2CN(c3cccc[nH+]3)C2)cc1OC ZINC000842891553 1031027802 /nfs/dbraw/zinc/02/78/02/1031027802.db2.gz WOLXLZAHWUMUEQ-UHFFFAOYSA-N 1 2 354.406 2.948 20 30 FFEDLO CCCCCCCOc1ccc(C[NH+]2CC(N3CCNC(=O)C3)C2)cc1 ZINC001204366790 1031254747 /nfs/dbraw/zinc/25/47/47/1031254747.db2.gz SHMXHHJILQXODW-UHFFFAOYSA-N 1 2 359.514 2.652 20 30 FFEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1ccccc1C#N ZINC001204367999 1031257338 /nfs/dbraw/zinc/25/73/38/1031257338.db2.gz RSPFNJROKJQBFB-IBGZPJMESA-N 1 2 351.454 2.571 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CC4)n3C)[C@H]2C1 ZINC001223344283 1033403593 /nfs/dbraw/zinc/40/35/93/1033403593.db2.gz IAYJZGXUDJZGOU-NUJGCVRESA-N 1 2 371.529 2.718 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C)[C@H]2C1 ZINC001223344283 1033403599 /nfs/dbraw/zinc/40/35/99/1033403599.db2.gz IAYJZGXUDJZGOU-NUJGCVRESA-N 1 2 371.529 2.718 20 30 FFEDLO Cc1ccc2[nH]c(C[N@@H+]3CC[C@@H]4[C@H]3CCC(=O)N4CCCC#N)nc2c1 ZINC001276893424 1033461214 /nfs/dbraw/zinc/46/12/14/1033461214.db2.gz NJDGDGNAHRNFGU-QZTJIDSGSA-N 1 2 351.454 2.740 20 30 FFEDLO Cc1ccc2[nH]c(C[N@H+]3CC[C@@H]4[C@H]3CCC(=O)N4CCCC#N)nc2c1 ZINC001276893424 1033461225 /nfs/dbraw/zinc/46/12/25/1033461225.db2.gz NJDGDGNAHRNFGU-QZTJIDSGSA-N 1 2 351.454 2.740 20 30 FFEDLO Cc1ccc2nc(C[N@@H+]3CC[C@@H]4[C@H]3CCC(=O)N4CCCC#N)[nH]c2c1 ZINC001276893424 1033461234 /nfs/dbraw/zinc/46/12/34/1033461234.db2.gz NJDGDGNAHRNFGU-QZTJIDSGSA-N 1 2 351.454 2.740 20 30 FFEDLO Cc1ccc2nc(C[N@H+]3CC[C@@H]4[C@H]3CCC(=O)N4CCCC#N)[nH]c2c1 ZINC001276893424 1033461241 /nfs/dbraw/zinc/46/12/41/1033461241.db2.gz NJDGDGNAHRNFGU-QZTJIDSGSA-N 1 2 351.454 2.740 20 30 FFEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001219340526 1033605018 /nfs/dbraw/zinc/60/50/18/1033605018.db2.gz GVIXIVBOUYENPD-IPELMVKDSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001219340526 1033605024 /nfs/dbraw/zinc/60/50/24/1033605024.db2.gz GVIXIVBOUYENPD-IPELMVKDSA-N 1 2 362.901 2.679 20 30 FFEDLO N#CCC[NH+]1CCC2(C[C@H]2C(=O)NCc2cccc(OC(F)F)c2)CC1 ZINC001276947972 1033724024 /nfs/dbraw/zinc/72/40/24/1033724024.db2.gz DRYZGJBVRVHFLE-INIZCTEOSA-N 1 2 363.408 2.920 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)c(OC)c2)C[C@@H]1O ZINC001219706732 1033775157 /nfs/dbraw/zinc/77/51/57/1033775157.db2.gz MLGXRZDBZVSNEI-CVEARBPZSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(OC)c2)C[C@@H]1O ZINC001219706732 1033775176 /nfs/dbraw/zinc/77/51/76/1033775176.db2.gz MLGXRZDBZVSNEI-CVEARBPZSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C[C@@H]1O ZINC001219720743 1033786188 /nfs/dbraw/zinc/78/61/88/1033786188.db2.gz YEUIBJXRCWHAHX-NXHRZFHOSA-N 1 2 369.465 2.920 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C[C@@H]1O ZINC001219720743 1033786198 /nfs/dbraw/zinc/78/61/98/1033786198.db2.gz YEUIBJXRCWHAHX-NXHRZFHOSA-N 1 2 369.465 2.920 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(N4CCCCC4)o3)CC2)c1 ZINC001138177270 1033914608 /nfs/dbraw/zinc/91/46/08/1033914608.db2.gz MMPZWJZAJQZVNU-UHFFFAOYSA-N 1 2 351.454 2.859 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001220205811 1034047388 /nfs/dbraw/zinc/04/73/88/1034047388.db2.gz NSQLOXCYBDDMHN-XKQJLSEDSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001220205811 1034047393 /nfs/dbraw/zinc/04/73/93/1034047393.db2.gz NSQLOXCYBDDMHN-XKQJLSEDSA-N 1 2 370.415 2.969 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001220436464 1034174391 /nfs/dbraw/zinc/17/43/91/1034174391.db2.gz WTOGWYFWTXJCAQ-CVEARBPZSA-N 1 2 370.415 2.969 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001220436464 1034174400 /nfs/dbraw/zinc/17/44/00/1034174400.db2.gz WTOGWYFWTXJCAQ-CVEARBPZSA-N 1 2 370.415 2.969 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccncc2NC(=O)C(C)(C)C)C1 ZINC001138458195 1034295043 /nfs/dbraw/zinc/29/50/43/1034295043.db2.gz ATTOYRQOJYTUKO-MRXNPFEDSA-N 1 2 374.485 2.943 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccncc2NC(=O)C(C)(C)C)C1 ZINC001138458195 1034295050 /nfs/dbraw/zinc/29/50/50/1034295050.db2.gz ATTOYRQOJYTUKO-MRXNPFEDSA-N 1 2 374.485 2.943 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2CC[C@H](S(=O)(=O)c3ccccc3)C2)cc1 ZINC001138557344 1034408203 /nfs/dbraw/zinc/40/82/03/1034408203.db2.gz HUFOPASVUSEENT-FQEVSTJZSA-N 1 2 355.459 2.747 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)c3ccccc3)C2)cc1 ZINC001138557344 1034408204 /nfs/dbraw/zinc/40/82/04/1034408204.db2.gz HUFOPASVUSEENT-FQEVSTJZSA-N 1 2 355.459 2.747 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001220835178 1034419932 /nfs/dbraw/zinc/41/99/32/1034419932.db2.gz WFCJSYUDDBIZAC-UXHICEINSA-N 1 2 357.498 2.970 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001220835178 1034419941 /nfs/dbraw/zinc/41/99/41/1034419941.db2.gz WFCJSYUDDBIZAC-UXHICEINSA-N 1 2 357.498 2.970 20 30 FFEDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Cl)c(C#N)c1 ZINC001277083119 1034450792 /nfs/dbraw/zinc/45/07/92/1034450792.db2.gz ARDIYQSKYVKTOO-JBBXEZCESA-N 1 2 359.857 2.754 20 30 FFEDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Cl)c(C#N)c1 ZINC001277083119 1034450798 /nfs/dbraw/zinc/45/07/98/1034450798.db2.gz ARDIYQSKYVKTOO-JBBXEZCESA-N 1 2 359.857 2.754 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC001535620750 1069859652 /nfs/dbraw/zinc/85/96/52/1069859652.db2.gz UMXZPVXXSREWBA-NHCUHLMSSA-N 1 2 360.461 2.830 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC001535620750 1069859671 /nfs/dbraw/zinc/85/96/71/1069859671.db2.gz UMXZPVXXSREWBA-NHCUHLMSSA-N 1 2 360.461 2.830 20 30 FFEDLO CCCCC[C@H](CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001221035576 1034513859 /nfs/dbraw/zinc/51/38/59/1034513859.db2.gz KKCMBOBLUBCFHZ-QGTPRVQTSA-N 1 2 363.527 2.888 20 30 FFEDLO CCCCC[C@H](CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001221035576 1034513865 /nfs/dbraw/zinc/51/38/65/1034513865.db2.gz KKCMBOBLUBCFHZ-QGTPRVQTSA-N 1 2 363.527 2.888 20 30 FFEDLO COC(=O)c1cc(C#N)ccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226306389 1034623269 /nfs/dbraw/zinc/62/32/69/1034623269.db2.gz XAVYIFISLFZPQJ-GOSISDBHSA-N 1 2 366.417 2.625 20 30 FFEDLO COC(=O)c1cc(C#N)ccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226306389 1034623279 /nfs/dbraw/zinc/62/32/79/1034623279.db2.gz XAVYIFISLFZPQJ-GOSISDBHSA-N 1 2 366.417 2.625 20 30 FFEDLO N#CCCCN1CCC2(CC[NH+](Cc3c(F)ccc(O)c3F)CC2)C1=O ZINC001277131066 1034705012 /nfs/dbraw/zinc/70/50/12/1034705012.db2.gz USZQBRGYEHNKLI-UHFFFAOYSA-N 1 2 363.408 2.789 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221417851 1034729490 /nfs/dbraw/zinc/72/94/90/1034729490.db2.gz YWAFYDYVNIVEKP-LDQXTDLNSA-N 1 2 370.468 2.525 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221417851 1034729502 /nfs/dbraw/zinc/72/95/02/1034729502.db2.gz YWAFYDYVNIVEKP-LDQXTDLNSA-N 1 2 370.468 2.525 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCCCCC3)C[C@H]21 ZINC001221429042 1034748206 /nfs/dbraw/zinc/74/82/06/1034748206.db2.gz FIHIEVHDGIVCDA-IEBWSBKVSA-N 1 2 361.530 2.714 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCCCCC3)C[C@H]21 ZINC001221429042 1034748218 /nfs/dbraw/zinc/74/82/18/1034748218.db2.gz FIHIEVHDGIVCDA-IEBWSBKVSA-N 1 2 361.530 2.714 20 30 FFEDLO CC(C)(C)OCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221494754 1034818620 /nfs/dbraw/zinc/81/86/20/1034818620.db2.gz CMKJEMSOTUIDRC-CRAIPNDOSA-N 1 2 359.445 2.545 20 30 FFEDLO CC(C)(C)OCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221494754 1034818634 /nfs/dbraw/zinc/81/86/34/1034818634.db2.gz CMKJEMSOTUIDRC-CRAIPNDOSA-N 1 2 359.445 2.545 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@H+](Cc3nnc(-c4ccccc4)o3)C[C@H]21 ZINC001221512742 1034830029 /nfs/dbraw/zinc/83/00/29/1034830029.db2.gz MRHYAENCAWRQMK-QZTJIDSGSA-N 1 2 364.449 2.573 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3nnc(-c4ccccc4)o3)C[C@H]21 ZINC001221512742 1034830038 /nfs/dbraw/zinc/83/00/38/1034830038.db2.gz MRHYAENCAWRQMK-QZTJIDSGSA-N 1 2 364.449 2.573 20 30 FFEDLO CCO[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21)C(C)C ZINC001221537978 1034857740 /nfs/dbraw/zinc/85/77/40/1034857740.db2.gz OGWLVLVCNRHGMA-VAMGGRTRSA-N 1 2 355.482 2.652 20 30 FFEDLO CCO[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21)C(C)C ZINC001221537978 1034857742 /nfs/dbraw/zinc/85/77/42/1034857742.db2.gz OGWLVLVCNRHGMA-VAMGGRTRSA-N 1 2 355.482 2.652 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)ccc3Cl)C[C@H]21 ZINC001221539362 1034859870 /nfs/dbraw/zinc/85/98/70/1034859870.db2.gz WPSUCEPGZDJYDX-HBUWYVDXSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)ccc3Cl)C[C@H]21 ZINC001221539362 1034859882 /nfs/dbraw/zinc/85/98/82/1034859882.db2.gz WPSUCEPGZDJYDX-HBUWYVDXSA-N 1 2 364.848 2.550 20 30 FFEDLO C=CCOc1ccccc1C[N@H+]1Cc2ccnn2C[C@@H](C(=O)NC(C)C)C1 ZINC001139028164 1034895877 /nfs/dbraw/zinc/89/58/77/1034895877.db2.gz OLKWYIFDYPYXIF-SFHVURJKSA-N 1 2 368.481 2.605 20 30 FFEDLO C=CCOc1ccccc1C[N@@H+]1Cc2ccnn2C[C@@H](C(=O)NC(C)C)C1 ZINC001139028164 1034895881 /nfs/dbraw/zinc/89/58/81/1034895881.db2.gz OLKWYIFDYPYXIF-SFHVURJKSA-N 1 2 368.481 2.605 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@H](C)CCC(C)C)C[C@H]21 ZINC001221584720 1034896656 /nfs/dbraw/zinc/89/66/56/1034896656.db2.gz AGUACTJRYGVYMM-GUDVDZBRSA-N 1 2 363.546 2.816 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@H](C)CCC(C)C)C[C@H]21 ZINC001221584720 1034896665 /nfs/dbraw/zinc/89/66/65/1034896665.db2.gz AGUACTJRYGVYMM-GUDVDZBRSA-N 1 2 363.546 2.816 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(CC)c3ccccc3)C[C@H]21 ZINC001221584800 1034896998 /nfs/dbraw/zinc/89/69/98/1034896998.db2.gz DDDDDJSAPLJBMS-UYAOXDASSA-N 1 2 369.509 2.929 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N(CC)c3ccccc3)C[C@H]21 ZINC001221584800 1034897009 /nfs/dbraw/zinc/89/70/09/1034897009.db2.gz DDDDDJSAPLJBMS-UYAOXDASSA-N 1 2 369.509 2.929 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)c(C)o3)C[C@H]21)OCC ZINC001221586794 1034899362 /nfs/dbraw/zinc/89/93/62/1034899362.db2.gz RLIIMXSGLCUXSF-KZNAEPCWSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)c(C)o3)C[C@H]21)OCC ZINC001221586794 1034899373 /nfs/dbraw/zinc/89/93/73/1034899373.db2.gz RLIIMXSGLCUXSF-KZNAEPCWSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3nc(Br)oc3C)C2)C1=O ZINC001276397275 1034918507 /nfs/dbraw/zinc/91/85/07/1034918507.db2.gz AXQOORKFSXEPLK-MRXNPFEDSA-N 1 2 368.275 2.746 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CC[N@@H+](Cc3nc(Br)oc3C)C2)C1=O ZINC001276397275 1034918513 /nfs/dbraw/zinc/91/85/13/1034918513.db2.gz AXQOORKFSXEPLK-MRXNPFEDSA-N 1 2 368.275 2.746 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)CCC(F)F)[C@@H]3C2)c1 ZINC001221694600 1034991103 /nfs/dbraw/zinc/99/11/03/1034991103.db2.gz PJMNBVZIETUWSE-CZUORRHYSA-N 1 2 351.372 2.775 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)CCC(F)F)[C@@H]3C2)c1 ZINC001221694600 1034991104 /nfs/dbraw/zinc/99/11/04/1034991104.db2.gz PJMNBVZIETUWSE-CZUORRHYSA-N 1 2 351.372 2.775 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccccc3C)C[C@H]21 ZINC001221748277 1035035915 /nfs/dbraw/zinc/03/59/15/1035035915.db2.gz SIBDDOUDIZJABW-UYAOXDASSA-N 1 2 367.493 2.660 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3C)C[C@H]21 ZINC001221748277 1035035924 /nfs/dbraw/zinc/03/59/24/1035035924.db2.gz SIBDDOUDIZJABW-UYAOXDASSA-N 1 2 367.493 2.660 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3)C[C@H]21 ZINC001221752199 1035037320 /nfs/dbraw/zinc/03/73/20/1035037320.db2.gz JYIJLNGVVHQOCC-QWFCFKBJSA-N 1 2 367.493 2.740 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3)C[C@H]21 ZINC001221752199 1035037326 /nfs/dbraw/zinc/03/73/26/1035037326.db2.gz JYIJLNGVVHQOCC-QWFCFKBJSA-N 1 2 367.493 2.740 20 30 FFEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1ccc(C#N)c(F)c1)C2 ZINC001139527393 1035147792 /nfs/dbraw/zinc/14/77/92/1035147792.db2.gz DCJALFVGUMSEHE-UHFFFAOYSA-N 1 2 356.449 2.535 20 30 FFEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1ccc(C#N)c(F)c1)C2 ZINC001139527393 1035147796 /nfs/dbraw/zinc/14/77/96/1035147796.db2.gz DCJALFVGUMSEHE-UHFFFAOYSA-N 1 2 356.449 2.535 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCN3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1C#N ZINC001139723279 1035208117 /nfs/dbraw/zinc/20/81/17/1035208117.db2.gz YOGNCLGVMQXJIC-LJQANCHMSA-N 1 2 370.497 2.604 20 30 FFEDLO Cc1ccc(C[N@H+]2CCN3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1C#N ZINC001139723279 1035208123 /nfs/dbraw/zinc/20/81/23/1035208123.db2.gz YOGNCLGVMQXJIC-LJQANCHMSA-N 1 2 370.497 2.604 20 30 FFEDLO C=CCn1cc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)cn1 ZINC001139771830 1035227106 /nfs/dbraw/zinc/22/71/06/1035227106.db2.gz QLNBCTSVKZTEFU-NJDAHSKKSA-N 1 2 368.481 2.660 20 30 FFEDLO C=CCn1cc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)cn1 ZINC001139771830 1035227111 /nfs/dbraw/zinc/22/71/11/1035227111.db2.gz QLNBCTSVKZTEFU-NJDAHSKKSA-N 1 2 368.481 2.660 20 30 FFEDLO N#C[C@]1(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)CCCOC1 ZINC000834644577 1035422580 /nfs/dbraw/zinc/42/25/80/1035422580.db2.gz OGNAAEFFSKAAGR-OAQYLSRUSA-N 1 2 364.449 2.525 20 30 FFEDLO CC1(C)OCC[C@@H]1NN=Cc1ccc(C=[NH+]N[C@H]2CCOC2(C)C)cc1 ZINC000835016438 1035487950 /nfs/dbraw/zinc/48/79/50/1035487950.db2.gz ZHGJTZGMGGXABS-ROUUACIJSA-N 1 2 358.486 2.669 20 30 FFEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)cc1 ZINC000835056430 1035494058 /nfs/dbraw/zinc/49/40/58/1035494058.db2.gz GLUUPQJWHHFBBQ-GJZGRUSLSA-N 1 2 370.478 2.780 20 30 FFEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)cc1 ZINC000835056430 1035494062 /nfs/dbraw/zinc/49/40/62/1035494062.db2.gz GLUUPQJWHHFBBQ-GJZGRUSLSA-N 1 2 370.478 2.780 20 30 FFEDLO N#Cc1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001227288728 1035496596 /nfs/dbraw/zinc/49/65/96/1035496596.db2.gz FVFPWWAYSNCJNZ-QGZVFWFLSA-N 1 2 353.378 2.746 20 30 FFEDLO N#Cc1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001227288728 1035496599 /nfs/dbraw/zinc/49/65/99/1035496599.db2.gz FVFPWWAYSNCJNZ-QGZVFWFLSA-N 1 2 353.378 2.746 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cc(C)c(OC)nc2OC)C1=O ZINC001277215011 1035586348 /nfs/dbraw/zinc/58/63/48/1035586348.db2.gz VAVITKNQTWXRNA-FQEVSTJZSA-N 1 2 359.470 2.550 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C)c(OC)nc2OC)C1=O ZINC001277215011 1035586355 /nfs/dbraw/zinc/58/63/55/1035586355.db2.gz VAVITKNQTWXRNA-FQEVSTJZSA-N 1 2 359.470 2.550 20 30 FFEDLO Cn1cnc2c1[C@H](COCC1CCCC1)C[N@H+](Cc1ccc(C#N)nc1)C2 ZINC001140541420 1035594241 /nfs/dbraw/zinc/59/42/41/1035594241.db2.gz IIAXSZOZCMIKQL-SFHVURJKSA-N 1 2 365.481 2.993 20 30 FFEDLO Cn1cnc2c1[C@H](COCC1CCCC1)C[N@@H+](Cc1ccc(C#N)nc1)C2 ZINC001140541420 1035594254 /nfs/dbraw/zinc/59/42/54/1035594254.db2.gz IIAXSZOZCMIKQL-SFHVURJKSA-N 1 2 365.481 2.993 20 30 FFEDLO Cc1cc(N2CC[NH+](Cc3ccc(C#N)nc3)CC2)n(-c2ccccc2)n1 ZINC001140546332 1035604356 /nfs/dbraw/zinc/60/43/56/1035604356.db2.gz DXYIZRAZXZCNRG-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO C[N@@H+]1CCO[C@H](COc2ccc(C[C@@H](C#N)c3ccc(O)cc3)cc2)C1 ZINC001227721835 1035696269 /nfs/dbraw/zinc/69/62/69/1035696269.db2.gz KXEWPNXCNFGIAK-RXVVDRJESA-N 1 2 352.434 2.951 20 30 FFEDLO C[N@H+]1CCO[C@H](COc2ccc(C[C@@H](C#N)c3ccc(O)cc3)cc2)C1 ZINC001227721835 1035696277 /nfs/dbraw/zinc/69/62/77/1035696277.db2.gz KXEWPNXCNFGIAK-RXVVDRJESA-N 1 2 352.434 2.951 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(-n3cccn3)cc2Cl)CC1 ZINC001232600178 1035855826 /nfs/dbraw/zinc/85/58/26/1035855826.db2.gz VCTMTKMRGFZKPE-UHFFFAOYSA-N 1 2 358.829 2.804 20 30 FFEDLO C[N@@H+](Cc1cc(C#N)ccc1O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001232678379 1035935712 /nfs/dbraw/zinc/93/57/12/1035935712.db2.gz XBDWVQXDPZCMCT-HXUWFJFHSA-N 1 2 351.450 2.597 20 30 FFEDLO C[N@H+](Cc1cc(C#N)ccc1O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001232678379 1035935728 /nfs/dbraw/zinc/93/57/28/1035935728.db2.gz XBDWVQXDPZCMCT-HXUWFJFHSA-N 1 2 351.450 2.597 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c1 ZINC001232681551 1035939145 /nfs/dbraw/zinc/93/91/45/1035939145.db2.gz QKBCSDZOLRXREI-OAHLLOKOSA-N 1 2 351.381 2.633 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c1 ZINC001232681551 1035939158 /nfs/dbraw/zinc/93/91/58/1035939158.db2.gz QKBCSDZOLRXREI-OAHLLOKOSA-N 1 2 351.381 2.633 20 30 FFEDLO C=C(C)C(=O)OCC(COC(=O)C(=C)C)Oc1ccc2[nH]c(C)[nH+]c2c1 ZINC001228327068 1036050459 /nfs/dbraw/zinc/05/04/59/1036050459.db2.gz MPWCNBUTCVQMPU-UHFFFAOYSA-N 1 2 358.394 2.857 20 30 FFEDLO N#Cc1ccc(CN2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)s1 ZINC001232843390 1036100644 /nfs/dbraw/zinc/10/06/44/1036100644.db2.gz WQROBNYRNCWMAF-OAHLLOKOSA-N 1 2 365.462 2.922 20 30 FFEDLO C=CCC1(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCCC1 ZINC001536416572 1069975303 /nfs/dbraw/zinc/97/53/03/1069975303.db2.gz UXVKUWZVXPNKON-IAGOWNOFSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCC1(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCCC1 ZINC001536416572 1069975312 /nfs/dbraw/zinc/97/53/12/1069975312.db2.gz UXVKUWZVXPNKON-IAGOWNOFSA-N 1 2 370.497 2.709 20 30 FFEDLO CCC(=O)NC1CC[NH+](Cc2ccc(Br)c(C#N)c2)CC1 ZINC001232895467 1036136486 /nfs/dbraw/zinc/13/64/86/1036136486.db2.gz MOABFYCLFGIGGF-UHFFFAOYSA-N 1 2 350.260 2.811 20 30 FFEDLO N#Cc1cccc(C[NH+]2CC3(C2)CCN(C(=O)c2cccnc2)C3)c1Cl ZINC001140811063 1036207923 /nfs/dbraw/zinc/20/79/23/1036207923.db2.gz KNLPBWAOJZWAPJ-UHFFFAOYSA-N 1 2 366.852 2.955 20 30 FFEDLO COc1cc2c(Cl)c(C#N)cnc2cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001229106902 1036501157 /nfs/dbraw/zinc/50/11/57/1036501157.db2.gz UDULNZVKVNPVGC-QCFQZVJNSA-N 1 2 371.824 2.760 20 30 FFEDLO COc1cc2c(Cl)c(C#N)cnc2cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001229106902 1036501172 /nfs/dbraw/zinc/50/11/72/1036501172.db2.gz UDULNZVKVNPVGC-QCFQZVJNSA-N 1 2 371.824 2.760 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@@H+](Cc3cccc4nccc(C)c34)C[C@@]2(F)C1=O ZINC001277387147 1036670997 /nfs/dbraw/zinc/67/09/97/1036670997.db2.gz HCXUMLDOIZJUJG-VQTJNVASSA-N 1 2 357.404 2.804 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@H+](Cc3cccc4nccc(C)c34)C[C@@]2(F)C1=O ZINC001277387147 1036671002 /nfs/dbraw/zinc/67/10/02/1036671002.db2.gz HCXUMLDOIZJUJG-VQTJNVASSA-N 1 2 357.404 2.804 20 30 FFEDLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C2)c1 ZINC001206949568 1036967892 /nfs/dbraw/zinc/96/78/92/1036967892.db2.gz ILUNGXOJNZHPCY-ZHALLVOQSA-N 1 2 369.509 2.808 20 30 FFEDLO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C2)c1 ZINC001206949568 1036967908 /nfs/dbraw/zinc/96/79/08/1036967908.db2.gz ILUNGXOJNZHPCY-ZHALLVOQSA-N 1 2 369.509 2.808 20 30 FFEDLO COc1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001234880500 1037220928 /nfs/dbraw/zinc/22/09/28/1037220928.db2.gz CTBFQTYBMZVBIO-OAHLLOKOSA-N 1 2 354.366 2.523 20 30 FFEDLO COc1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001234880500 1037220945 /nfs/dbraw/zinc/22/09/45/1037220945.db2.gz CTBFQTYBMZVBIO-OAHLLOKOSA-N 1 2 354.366 2.523 20 30 FFEDLO C=CCN(CC[N@@H+]1CCc2onc(COCC)c2C1)C(=O)OC(C)(C)C ZINC001207204949 1037245259 /nfs/dbraw/zinc/24/52/59/1037245259.db2.gz BFWPVNDSWKUURE-UHFFFAOYSA-N 1 2 365.474 2.992 20 30 FFEDLO C=CCN(CC[N@H+]1CCc2onc(COCC)c2C1)C(=O)OC(C)(C)C ZINC001207204949 1037245273 /nfs/dbraw/zinc/24/52/73/1037245273.db2.gz BFWPVNDSWKUURE-UHFFFAOYSA-N 1 2 365.474 2.992 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3occc3C)o2)C[C@H]1C ZINC001207215411 1037254594 /nfs/dbraw/zinc/25/45/94/1037254594.db2.gz IRIXCYFEGQUSOQ-HUUCEWRRSA-N 1 2 358.442 2.931 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3occc3C)o2)C[C@H]1C ZINC001207215411 1037254610 /nfs/dbraw/zinc/25/46/10/1037254610.db2.gz IRIXCYFEGQUSOQ-HUUCEWRRSA-N 1 2 358.442 2.931 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cc(C)cnc2F)Cc2nnn(CC3CC3)c21 ZINC001235331815 1037484091 /nfs/dbraw/zinc/48/40/91/1037484091.db2.gz ISYCAOPXZQYVEA-KRWDZBQOSA-N 1 2 371.460 2.833 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](Cc2cc(C)cnc2F)Cc2nnn(CC3CC3)c21 ZINC001235331815 1037484099 /nfs/dbraw/zinc/48/40/99/1037484099.db2.gz ISYCAOPXZQYVEA-KRWDZBQOSA-N 1 2 371.460 2.833 20 30 FFEDLO N#Cc1cc(F)c(CN2CCc3onc(Cn4cc[nH+]c4)c3C2)c(F)c1 ZINC001235655488 1037665401 /nfs/dbraw/zinc/66/54/01/1037665401.db2.gz ZOQUXKORQMHEPB-UHFFFAOYSA-N 1 2 355.348 2.628 20 30 FFEDLO CCOCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001277974801 1037803185 /nfs/dbraw/zinc/80/31/85/1037803185.db2.gz PMILVEYLVURAMK-HXUWFJFHSA-N 1 2 359.445 2.691 20 30 FFEDLO CCOCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)ccc1C#N ZINC001277974801 1037803195 /nfs/dbraw/zinc/80/31/95/1037803195.db2.gz PMILVEYLVURAMK-HXUWFJFHSA-N 1 2 359.445 2.691 20 30 FFEDLO C[NH+]1CCN(c2ccc(-c3nc4ccccc4nc3C(C#N)C#N)cn2)CC1 ZINC001235968202 1037865901 /nfs/dbraw/zinc/86/59/01/1037865901.db2.gz LKQJSWQYEAEOIE-UHFFFAOYSA-N 1 2 369.432 2.574 20 30 FFEDLO Cc1cc(C[NH+]2CC3(CN(Cc4ccc(Cl)cc4C#N)C3)C2)n(C)n1 ZINC001278871532 1038010309 /nfs/dbraw/zinc/01/03/09/1038010309.db2.gz OTRVXHLZLSMGJA-UHFFFAOYSA-N 1 2 355.873 2.571 20 30 FFEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cc1C#N ZINC001236460410 1038097750 /nfs/dbraw/zinc/09/77/50/1038097750.db2.gz BOOZGVLLAYPPNW-FYJGNVAPSA-N 1 2 368.462 2.887 20 30 FFEDLO CC(C)N(C)C(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccc(C#N)c(Cl)c3)C2)C1 ZINC001232111597 1038177179 /nfs/dbraw/zinc/17/71/79/1038177179.db2.gz DPDRQQFKEDPMEU-IBGZPJMESA-N 1 2 374.872 2.799 20 30 FFEDLO CC(C)N(C)C(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccc(C#N)c(Cl)c3)C2)C1 ZINC001232111597 1038177186 /nfs/dbraw/zinc/17/71/86/1038177186.db2.gz DPDRQQFKEDPMEU-IBGZPJMESA-N 1 2 374.872 2.799 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2F)C[C@H]1C ZINC001208317921 1038210639 /nfs/dbraw/zinc/21/06/39/1038210639.db2.gz BFWCVABEIQKDGU-JKIFEVAISA-N 1 2 361.461 2.801 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2F)C[C@H]1C ZINC001208317921 1038210654 /nfs/dbraw/zinc/21/06/54/1038210654.db2.gz BFWCVABEIQKDGU-JKIFEVAISA-N 1 2 361.461 2.801 20 30 FFEDLO CC(C)(C)OC(=O)N1CCOc2cc(O)c(C[N@@H+]3CC[C@@H](C#N)C3)cc2C1 ZINC001236853081 1038309299 /nfs/dbraw/zinc/30/92/99/1038309299.db2.gz VTUKYMNAEMKWAW-AWEZNQCLSA-N 1 2 373.453 2.867 20 30 FFEDLO CC(C)(C)OC(=O)N1CCOc2cc(O)c(C[N@H+]3CC[C@@H](C#N)C3)cc2C1 ZINC001236853081 1038309309 /nfs/dbraw/zinc/30/93/09/1038309309.db2.gz VTUKYMNAEMKWAW-AWEZNQCLSA-N 1 2 373.453 2.867 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001208509020 1038370551 /nfs/dbraw/zinc/37/05/51/1038370551.db2.gz PGAPHCIMZUVCOH-WIBUTAKZSA-N 1 2 361.461 2.803 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001208509020 1038370567 /nfs/dbraw/zinc/37/05/67/1038370567.db2.gz PGAPHCIMZUVCOH-WIBUTAKZSA-N 1 2 361.461 2.803 20 30 FFEDLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@H+]1CCCc1cccc(C#N)c1 ZINC001208851988 1038557042 /nfs/dbraw/zinc/55/70/42/1038557042.db2.gz QJDLNSSPMUAJOC-HXUWFJFHSA-N 1 2 365.481 2.738 20 30 FFEDLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@@H+]1CCCc1cccc(C#N)c1 ZINC001208851988 1038557050 /nfs/dbraw/zinc/55/70/50/1038557050.db2.gz QJDLNSSPMUAJOC-HXUWFJFHSA-N 1 2 365.481 2.738 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001208964218 1038609359 /nfs/dbraw/zinc/60/93/59/1038609359.db2.gz WWRXMBXJLIAIMV-RHSMWYFYSA-N 1 2 361.461 2.803 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001208964218 1038609361 /nfs/dbraw/zinc/60/93/61/1038609361.db2.gz WWRXMBXJLIAIMV-RHSMWYFYSA-N 1 2 361.461 2.803 20 30 FFEDLO C=CCN(CC[N@@H+]1CCC[C@H]1C(=O)OCc1ccccc1)C(=O)OCC ZINC001209017605 1038634611 /nfs/dbraw/zinc/63/46/11/1038634611.db2.gz VJHTZVLXERVUGC-SFHVURJKSA-N 1 2 360.454 2.839 20 30 FFEDLO C=CCN(CC[N@H+]1CCC[C@H]1C(=O)OCc1ccccc1)C(=O)OCC ZINC001209017605 1038634613 /nfs/dbraw/zinc/63/46/13/1038634613.db2.gz VJHTZVLXERVUGC-SFHVURJKSA-N 1 2 360.454 2.839 20 30 FFEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](CC(=O)c1ccc(C#N)cc1)CC2 ZINC001276627250 1038732489 /nfs/dbraw/zinc/73/24/89/1038732489.db2.gz IZLICQHIAZZICO-SFHVURJKSA-N 1 2 351.450 2.535 20 30 FFEDLO C=CCCCCC[N@H+]1CC(=O)NC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001209422989 1038853641 /nfs/dbraw/zinc/85/36/41/1038853641.db2.gz BWBUELBUSXFPSW-LJQANCHMSA-N 1 2 351.491 2.544 20 30 FFEDLO C=CCCCCC[N@@H+]1CC(=O)NC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001209422989 1038853663 /nfs/dbraw/zinc/85/36/63/1038853663.db2.gz BWBUELBUSXFPSW-LJQANCHMSA-N 1 2 351.491 2.544 20 30 FFEDLO COCC[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001279050009 1039000450 /nfs/dbraw/zinc/00/04/50/1039000450.db2.gz PKVKOMCEXFIMAN-FDFHNCONSA-N 1 2 368.521 2.929 20 30 FFEDLO COCC[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001279050009 1039000469 /nfs/dbraw/zinc/00/04/69/1039000469.db2.gz PKVKOMCEXFIMAN-FDFHNCONSA-N 1 2 368.521 2.929 20 30 FFEDLO Cc1nc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C#N)n(C)c2)sc1C ZINC001278412470 1039065825 /nfs/dbraw/zinc/06/58/25/1039065825.db2.gz RSDWYMQCBCCLPY-CALCHBBNSA-N 1 2 355.511 2.819 20 30 FFEDLO Cc1nc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C#N)n(C)c2)sc1C ZINC001278412470 1039065829 /nfs/dbraw/zinc/06/58/29/1039065829.db2.gz RSDWYMQCBCCLPY-CALCHBBNSA-N 1 2 355.511 2.819 20 30 FFEDLO CCCCCCCCC[NH+]1CC2(CCN2S(=O)(=O)c2cn(C)cn2)C1 ZINC001278442667 1039306820 /nfs/dbraw/zinc/30/68/20/1039306820.db2.gz YXNUGBISARUIJL-UHFFFAOYSA-N 1 2 368.547 2.620 20 30 FFEDLO N#Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)Cc2ccccc2)CC1 ZINC001252928294 1039804862 /nfs/dbraw/zinc/80/48/62/1039804862.db2.gz GCAHDKGUPBWWLM-UHFFFAOYSA-N 1 2 369.490 2.642 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001253238567 1040063166 /nfs/dbraw/zinc/06/31/66/1040063166.db2.gz SHAROSYDBJFGAR-DLBZAZTESA-N 1 2 350.507 2.638 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[N@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001253238567 1040063176 /nfs/dbraw/zinc/06/31/76/1040063176.db2.gz SHAROSYDBJFGAR-DLBZAZTESA-N 1 2 350.507 2.638 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCCCOCC)C1 ZINC001211413302 1040169730 /nfs/dbraw/zinc/16/97/30/1040169730.db2.gz FLVUDYRSVOYQJB-UKRRQHHQSA-N 1 2 361.324 2.928 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCCCOCC)C1 ZINC001211413302 1040169740 /nfs/dbraw/zinc/16/97/40/1040169740.db2.gz FLVUDYRSVOYQJB-UKRRQHHQSA-N 1 2 361.324 2.928 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC001211422172 1040179344 /nfs/dbraw/zinc/17/93/44/1040179344.db2.gz FHNPMRNVYISYET-HUUCEWRRSA-N 1 2 365.543 2.970 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC001211422172 1040179348 /nfs/dbraw/zinc/17/93/48/1040179348.db2.gz FHNPMRNVYISYET-HUUCEWRRSA-N 1 2 365.543 2.970 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2OC)CC1 ZINC001213392624 1040505451 /nfs/dbraw/zinc/50/54/51/1040505451.db2.gz HYXNWSSWAWLQFR-RTBURBONSA-N 1 2 371.456 2.759 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2OC)CC1 ZINC001213392624 1040505474 /nfs/dbraw/zinc/50/54/74/1040505474.db2.gz HYXNWSSWAWLQFR-RTBURBONSA-N 1 2 371.456 2.759 20 30 FFEDLO CC(=O)NCSC[C@H]([NH3+])c1nc(-c2ccc(C(C)(C)C)cc2C#N)no1 ZINC001248973162 1040537982 /nfs/dbraw/zinc/53/79/82/1040537982.db2.gz YHTLKBJIAGQYOB-HNNXBMFYSA-N 1 2 373.482 2.732 20 30 FFEDLO C=CCC[C@H]1CCCN1C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC001254336790 1040677504 /nfs/dbraw/zinc/67/75/04/1040677504.db2.gz ARQGOYNGZMBZNB-KRWDZBQOSA-N 1 2 365.518 2.933 20 30 FFEDLO N#Cc1ccc2cc(C[N@@H+]3CCCn4cnc(Cn5cccn5)c4C3)[nH]c2c1 ZINC001249428458 1040757389 /nfs/dbraw/zinc/75/73/89/1040757389.db2.gz PFMFYNKVCJYILG-UHFFFAOYSA-N 1 2 371.448 2.887 20 30 FFEDLO N#Cc1ccc2cc(C[N@H+]3CCCn4cnc(Cn5cccn5)c4C3)[nH]c2c1 ZINC001249428458 1040757410 /nfs/dbraw/zinc/75/74/10/1040757410.db2.gz PFMFYNKVCJYILG-UHFFFAOYSA-N 1 2 371.448 2.887 20 30 FFEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccccc3Br)CC2)C1 ZINC001254673256 1040868613 /nfs/dbraw/zinc/86/86/13/1040868613.db2.gz HPBGJORARZARHX-UONOGXRCSA-N 1 2 362.271 2.899 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3oc(C)nc3C)C[C@H]2OC)CCCC1 ZINC001214003842 1041153006 /nfs/dbraw/zinc/15/30/06/1041153006.db2.gz ABIPGOUTOOMFQI-SJLPKXTDSA-N 1 2 361.486 2.743 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3oc(C)nc3C)C[C@H]2OC)CCCC1 ZINC001214003842 1041153012 /nfs/dbraw/zinc/15/30/12/1041153012.db2.gz ABIPGOUTOOMFQI-SJLPKXTDSA-N 1 2 361.486 2.743 20 30 FFEDLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(S(=O)(=O)CCCCC#N)C1 ZINC001214073577 1041218381 /nfs/dbraw/zinc/21/83/81/1041218381.db2.gz YOURWOFVIPPDSW-OAHLLOKOSA-N 1 2 352.504 2.841 20 30 FFEDLO C[NH+]1CCN(C(=O)c2ccc3[nH]c(CCc4cccc(C#N)c4)nc3c2)CC1 ZINC001250581599 1041255488 /nfs/dbraw/zinc/25/54/88/1041255488.db2.gz HRPBINBLJCHCOG-UHFFFAOYSA-N 1 2 373.460 2.607 20 30 FFEDLO N#CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(Cl)c2)CCOCC1 ZINC001278597293 1041353164 /nfs/dbraw/zinc/35/31/64/1041353164.db2.gz HUFHFSWQEOECKW-HDICACEKSA-N 1 2 373.884 2.836 20 30 FFEDLO N#CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc(Cl)c2)CCOCC1 ZINC001278597293 1041353172 /nfs/dbraw/zinc/35/31/72/1041353172.db2.gz HUFHFSWQEOECKW-HDICACEKSA-N 1 2 373.884 2.836 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC001215377054 1041763392 /nfs/dbraw/zinc/76/33/92/1041763392.db2.gz YSQZJNXWSBVLCA-ZHALLVOQSA-N 1 2 367.497 2.806 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(SC)CC1 ZINC001262941283 1041977860 /nfs/dbraw/zinc/97/78/60/1041977860.db2.gz HOZDVSZDBBROIV-INIZCTEOSA-N 1 2 365.547 2.578 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(SC)CC1 ZINC001262941283 1041977865 /nfs/dbraw/zinc/97/78/65/1041977865.db2.gz HOZDVSZDBBROIV-INIZCTEOSA-N 1 2 365.547 2.578 20 30 FFEDLO C=CCn1c(N2CCC3(C2)CCCCC3)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001262988482 1042013037 /nfs/dbraw/zinc/01/30/37/1042013037.db2.gz UBYBAWPGVXZYHT-APWZRJJASA-N 1 2 359.518 2.536 20 30 FFEDLO C=CCn1c(N2CCC3(C2)CCCCC3)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001262988482 1042013048 /nfs/dbraw/zinc/01/30/48/1042013048.db2.gz UBYBAWPGVXZYHT-APWZRJJASA-N 1 2 359.518 2.536 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(CC#N)CC1 ZINC001263344036 1042252169 /nfs/dbraw/zinc/25/21/69/1042252169.db2.gz RPOSZFLRLSPOEZ-GOSISDBHSA-N 1 2 372.517 2.766 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(CC#N)CC1 ZINC001263344036 1042252174 /nfs/dbraw/zinc/25/21/74/1042252174.db2.gz RPOSZFLRLSPOEZ-GOSISDBHSA-N 1 2 372.517 2.766 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc(C[NH+]2CCCC2)n1Cc1cccs1 ZINC001263488352 1042339194 /nfs/dbraw/zinc/33/91/94/1042339194.db2.gz HYWVQPVPNXZYOZ-INIZCTEOSA-N 1 2 355.511 2.976 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c(C)nn(C)c2C)[C@H]1C ZINC001264174036 1042653904 /nfs/dbraw/zinc/65/39/04/1042653904.db2.gz PDPHUFOPBHNJOC-CXMBCZLWSA-N 1 2 352.910 2.547 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c(C)nn(C)c2C)[C@H]1C ZINC001264174036 1042653907 /nfs/dbraw/zinc/65/39/07/1042653907.db2.gz PDPHUFOPBHNJOC-CXMBCZLWSA-N 1 2 352.910 2.547 20 30 FFEDLO Cn1cc(C[NH+]2CC3(C2)CCCN(Cc2cccc(F)n2)C3)cc1C#N ZINC001279225637 1042952801 /nfs/dbraw/zinc/95/28/01/1042952801.db2.gz AEEGQRXFGQIWIF-UHFFFAOYSA-N 1 2 353.445 2.529 20 30 FFEDLO Cc1nc(C[N@H+]2CCCC3(CN(Cc4cc(C#N)n(C)c4)C3)C2)cs1 ZINC001279401469 1043060402 /nfs/dbraw/zinc/06/04/02/1043060402.db2.gz KMPKNXNVGYTXJT-UHFFFAOYSA-N 1 2 355.511 2.760 20 30 FFEDLO Cc1nc(C[N@@H+]2CCCC3(CN(Cc4cc(C#N)n(C)c4)C3)C2)cs1 ZINC001279401469 1043060410 /nfs/dbraw/zinc/06/04/10/1043060410.db2.gz KMPKNXNVGYTXJT-UHFFFAOYSA-N 1 2 355.511 2.760 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cc(F)cc(F)c4F)C3)C2)cc1C#N ZINC001279427211 1043101033 /nfs/dbraw/zinc/10/10/33/1043101033.db2.gz OCCFVYXYZATZQP-UHFFFAOYSA-N 1 2 360.383 2.632 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@H+]3Cc2cc3cccnc3s2)cc1C#N ZINC001279493249 1043179750 /nfs/dbraw/zinc/17/97/50/1043179750.db2.gz QWCFTZPPJNNHBB-HDICACEKSA-N 1 2 363.490 2.965 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+]3Cc2cc3cccnc3s2)cc1C#N ZINC001279493249 1043179753 /nfs/dbraw/zinc/17/97/53/1043179753.db2.gz QWCFTZPPJNNHBB-HDICACEKSA-N 1 2 363.490 2.965 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)ccn1 ZINC001237466236 1043182256 /nfs/dbraw/zinc/18/22/56/1043182256.db2.gz XBLXQZZTDFLBQR-GHTZIAJQSA-N 1 2 364.449 2.798 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)ccn1 ZINC001237466236 1043182260 /nfs/dbraw/zinc/18/22/60/1043182260.db2.gz XBLXQZZTDFLBQR-GHTZIAJQSA-N 1 2 364.449 2.798 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)Cc2nn(CC3CC3)cc21 ZINC001237464623 1043182489 /nfs/dbraw/zinc/18/24/89/1043182489.db2.gz UBQCRMDYQBKOJP-KRWDZBQOSA-N 1 2 351.454 2.696 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)Cc2nn(CC3CC3)cc21 ZINC001237464623 1043182500 /nfs/dbraw/zinc/18/25/00/1043182500.db2.gz UBQCRMDYQBKOJP-KRWDZBQOSA-N 1 2 351.454 2.696 20 30 FFEDLO C=CCN(CCN1CC2(CC[N@@H+]2Cc2ccc[nH]2)C1)C(=O)OC(C)(C)C ZINC001279581168 1043289087 /nfs/dbraw/zinc/28/90/87/1043289087.db2.gz WYKCARMHOSNUJT-UHFFFAOYSA-N 1 2 360.502 2.698 20 30 FFEDLO C=CCN(CCN1CC2(CC[N@H+]2Cc2ccc[nH]2)C1)C(=O)OC(C)(C)C ZINC001279581168 1043289094 /nfs/dbraw/zinc/28/90/94/1043289094.db2.gz WYKCARMHOSNUJT-UHFFFAOYSA-N 1 2 360.502 2.698 20 30 FFEDLO C=CCN(CC[NH+]1CC2(CCN2Cc2ccc[nH]2)C1)C(=O)OC(C)(C)C ZINC001279581168 1043289105 /nfs/dbraw/zinc/28/91/05/1043289105.db2.gz WYKCARMHOSNUJT-UHFFFAOYSA-N 1 2 360.502 2.698 20 30 FFEDLO N#CCOc1ccc(C[NH+]2CC3(CCN3C(=O)Cc3ccsc3)C2)cc1 ZINC001279649507 1043401193 /nfs/dbraw/zinc/40/11/93/1043401193.db2.gz KSLIGDIUKSRJNJ-UHFFFAOYSA-N 1 2 367.474 2.680 20 30 FFEDLO N#Cc1c(Cl)cccc1C[N@@H+]1C[C@H]2C[C@@H](CC(=O)N3CC=CC3)O[C@H]2C1 ZINC001279740788 1043565237 /nfs/dbraw/zinc/56/52/37/1043565237.db2.gz FFQYGIKBKQJGAP-GJYPPUQNSA-N 1 2 371.868 2.589 20 30 FFEDLO N#Cc1c(Cl)cccc1C[N@H+]1C[C@H]2C[C@@H](CC(=O)N3CC=CC3)O[C@H]2C1 ZINC001279740788 1043565242 /nfs/dbraw/zinc/56/52/42/1043565242.db2.gz FFQYGIKBKQJGAP-GJYPPUQNSA-N 1 2 371.868 2.589 20 30 FFEDLO C=C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2nc(C)no2)[C@@H]1CC)c1ccccc1 ZINC001316742683 1043631919 /nfs/dbraw/zinc/63/19/19/1043631919.db2.gz SGHVBYDEMUDWJB-OKZBNKHCSA-N 1 2 354.454 2.817 20 30 FFEDLO C=C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)no2)[C@@H]1CC)c1ccccc1 ZINC001316742683 1043631925 /nfs/dbraw/zinc/63/19/25/1043631925.db2.gz SGHVBYDEMUDWJB-OKZBNKHCSA-N 1 2 354.454 2.817 20 30 FFEDLO Cc1cc(C)c(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(C)[nH+]1 ZINC001310835613 1043751013 /nfs/dbraw/zinc/75/10/13/1043751013.db2.gz XYHLYGRRBMFQAB-CABCVRRESA-N 1 2 373.457 2.887 20 30 FFEDLO CCCCCCC[N@@H+]1Cc2ccnn2CC[C@H]1C(=O)Nc1nccn1C ZINC001279865402 1043798587 /nfs/dbraw/zinc/79/85/87/1043798587.db2.gz YFAGRBXGXCGSMM-KRWDZBQOSA-N 1 2 358.490 2.800 20 30 FFEDLO CCCCCCC[N@H+]1Cc2ccnn2CC[C@H]1C(=O)Nc1nccn1C ZINC001279865402 1043798602 /nfs/dbraw/zinc/79/86/02/1043798602.db2.gz YFAGRBXGXCGSMM-KRWDZBQOSA-N 1 2 358.490 2.800 20 30 FFEDLO Cc1ccc(C#N)c(NC(=O)[C@H]2[C@H]3CC[C@@H]2C[N@H+](Cc2csnn2)C3)c1 ZINC001280049199 1044139019 /nfs/dbraw/zinc/13/90/19/1044139019.db2.gz CTMCKJYMENUSKO-JLVBRIDZSA-N 1 2 367.478 2.815 20 30 FFEDLO Cc1ccc(C#N)c(NC(=O)[C@H]2[C@H]3CC[C@@H]2C[N@@H+](Cc2csnn2)C3)c1 ZINC001280049199 1044139024 /nfs/dbraw/zinc/13/90/24/1044139024.db2.gz CTMCKJYMENUSKO-JLVBRIDZSA-N 1 2 367.478 2.815 20 30 FFEDLO COC(=O)c1ccc(-c2ccc(OCC[NH+]3CCOCC3)cc2)c(C#N)c1 ZINC001240449810 1044347633 /nfs/dbraw/zinc/34/76/33/1044347633.db2.gz LRUXRSNPTOTTRK-UHFFFAOYSA-N 1 2 366.417 2.723 20 30 FFEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2CC[N@H+]3Cc2c3cc[nH]c3ncc2Cl)CCC1 ZINC001280224983 1044422294 /nfs/dbraw/zinc/42/22/94/1044422294.db2.gz YFXSZBXFBLHWDZ-HXPMCKFVSA-N 1 2 369.856 2.695 20 30 FFEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2CC[N@@H+]3Cc2c3cc[nH]c3ncc2Cl)CCC1 ZINC001280224983 1044422297 /nfs/dbraw/zinc/42/22/97/1044422297.db2.gz YFXSZBXFBLHWDZ-HXPMCKFVSA-N 1 2 369.856 2.695 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC001281621993 1044978755 /nfs/dbraw/zinc/97/87/55/1044978755.db2.gz BWNHBJUTWFWELR-DOTOQJQBSA-N 1 2 366.465 2.610 20 30 FFEDLO C=CCOc1cc(C)nc(-c2ccc(OCC[NH+]3CCOCC3)cc2F)n1 ZINC001244129605 1045084391 /nfs/dbraw/zinc/08/43/91/1045084391.db2.gz HAXYEJGSAXPAPN-UHFFFAOYSA-N 1 2 373.428 2.867 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2Cc2ccccc2OCC)CC1 ZINC001539432073 1070637090 /nfs/dbraw/zinc/63/70/90/1070637090.db2.gz XMTAMEAGQLJUBJ-UHFFFAOYSA-N 1 2 367.497 2.604 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2Cc2ccsc2)CC1 ZINC001539447945 1070639643 /nfs/dbraw/zinc/63/96/43/1070639643.db2.gz ZNXLQPUMZBBWSM-UHFFFAOYSA-N 1 2 355.511 2.801 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001282142842 1045377960 /nfs/dbraw/zinc/37/79/60/1045377960.db2.gz XRKWYOKZMGAAFM-YESZJQIVSA-N 1 2 360.502 2.838 20 30 FFEDLO C=CCN(CC=C)c1nnc(CC2CCCC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001540174283 1070778964 /nfs/dbraw/zinc/77/89/64/1070778964.db2.gz LCGJIMJOTRVOQP-SFHVURJKSA-N 1 2 373.545 2.910 20 30 FFEDLO C=CCN(CC=C)c1nnc(CC2CCCC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001540174283 1070778974 /nfs/dbraw/zinc/77/89/74/1070778974.db2.gz LCGJIMJOTRVOQP-SFHVURJKSA-N 1 2 373.545 2.910 20 30 FFEDLO COCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1C(C)(C)C)Cc1ccccc1C#N ZINC001284658054 1046609609 /nfs/dbraw/zinc/60/96/09/1046609609.db2.gz PUEGFYCEOLQYMM-RTBURBONSA-N 1 2 357.498 2.805 20 30 FFEDLO COCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1C(C)(C)C)Cc1ccccc1C#N ZINC001284658054 1046609615 /nfs/dbraw/zinc/60/96/15/1046609615.db2.gz PUEGFYCEOLQYMM-RTBURBONSA-N 1 2 357.498 2.805 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccn3)n2CC2(CCC)CC2)CC1 ZINC001286476409 1047121369 /nfs/dbraw/zinc/12/13/69/1047121369.db2.gz WWCCIDYKQYXQGZ-UHFFFAOYSA-N 1 2 364.497 2.676 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(C)no2)C[C@H]1c1ccccc1 ZINC001316645188 1047430651 /nfs/dbraw/zinc/43/06/51/1047430651.db2.gz OZQQEKAXKISAFR-ZWKOTPCHSA-N 1 2 354.454 2.819 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2nc(C)no2)C[C@H]1c1ccccc1 ZINC001316645188 1047430657 /nfs/dbraw/zinc/43/06/57/1047430657.db2.gz OZQQEKAXKISAFR-ZWKOTPCHSA-N 1 2 354.454 2.819 20 30 FFEDLO C=C(C)CCC(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001290357295 1048058171 /nfs/dbraw/zinc/05/81/71/1048058171.db2.gz POKWHMHMTRGTNF-IAGOWNOFSA-N 1 2 360.502 2.832 20 30 FFEDLO C=CCO[C@@H]1CCN(c2cc(C)[nH+]c(N3CC[C@@H](OCC=C)C3)c2C#N)C1 ZINC001330653847 1049251772 /nfs/dbraw/zinc/25/17/72/1049251772.db2.gz SWQGULYHGUCKJA-QZTJIDSGSA-N 1 2 368.481 2.824 20 30 FFEDLO CSc1ccc(CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1C#N ZINC001330950173 1049407072 /nfs/dbraw/zinc/40/70/72/1049407072.db2.gz AZLOHPOSRYUFGZ-CQSZACIVSA-N 1 2 355.467 2.713 20 30 FFEDLO Cc1[nH]c(CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)[nH+]c1C ZINC001294518522 1049763709 /nfs/dbraw/zinc/76/37/09/1049763709.db2.gz CGEAYMLEGNDWLX-AWEZNQCLSA-N 1 2 363.462 2.620 20 30 FFEDLO C=CCn1c(N2CC[C@H](C3CCCCC3)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001339857664 1050275190 /nfs/dbraw/zinc/27/51/90/1050275190.db2.gz XITZVTZUJAYIID-WFXMLNOXSA-N 1 2 373.545 2.782 20 30 FFEDLO C=CCn1c(N2CC[C@H](C3CCCCC3)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339857664 1050275199 /nfs/dbraw/zinc/27/51/99/1050275199.db2.gz XITZVTZUJAYIID-WFXMLNOXSA-N 1 2 373.545 2.782 20 30 FFEDLO C=CCn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1C1(OC)CC1 ZINC001339936987 1050351760 /nfs/dbraw/zinc/35/17/60/1050351760.db2.gz GJUJFUYSMIKKSS-UHFFFAOYSA-N 1 2 354.458 2.576 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1C[C@H](CC)O[C@@H](CC)C1 ZINC001341756615 1050374601 /nfs/dbraw/zinc/37/46/01/1050374601.db2.gz XGNDSMWERZXHDT-HOTGVXAUSA-N 1 2 358.490 2.572 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)Cc1ccco1 ZINC001340194721 1050602614 /nfs/dbraw/zinc/60/26/14/1050602614.db2.gz DOBXWBWMVCKEEH-NVXWUHKLSA-N 1 2 357.458 2.619 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)Cc1ccco1 ZINC001340194721 1050602618 /nfs/dbraw/zinc/60/26/18/1050602618.db2.gz DOBXWBWMVCKEEH-NVXWUHKLSA-N 1 2 357.458 2.619 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)CCC(F)(F)F ZINC001340195786 1050604444 /nfs/dbraw/zinc/60/44/44/1050604444.db2.gz OZLDCJHPQGHDEJ-KGLIPLIRSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)CCC(F)(F)F ZINC001340195786 1050604445 /nfs/dbraw/zinc/60/44/45/1050604445.db2.gz OZLDCJHPQGHDEJ-KGLIPLIRSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N(CC(C)C)C(C)C ZINC001342025247 1050623448 /nfs/dbraw/zinc/62/34/48/1050623448.db2.gz AXHZIRLMERZZPO-UHFFFAOYSA-N 1 2 363.550 2.929 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001340258411 1050663885 /nfs/dbraw/zinc/66/38/85/1050663885.db2.gz JFCGKPWSVYYDEI-QXGSTGNESA-N 1 2 365.481 2.640 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001340258411 1050663893 /nfs/dbraw/zinc/66/38/93/1050663893.db2.gz JFCGKPWSVYYDEI-QXGSTGNESA-N 1 2 365.481 2.640 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@H](Cc2nccs2)C1 ZINC001342101312 1050696303 /nfs/dbraw/zinc/69/63/03/1050696303.db2.gz ZEMXZDPPQRPEJQ-MRXNPFEDSA-N 1 2 372.542 2.976 20 30 FFEDLO C=CCC(C)(C)Cn1c(N(C)CC[NH+]2CCOCC2)nnc1C(C)(C)C ZINC001301158479 1050825526 /nfs/dbraw/zinc/82/55/26/1050825526.db2.gz HBLPDMJQWVSGEG-UHFFFAOYSA-N 1 2 363.550 2.946 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC001342247114 1050839569 /nfs/dbraw/zinc/83/95/69/1050839569.db2.gz HVCHANMECWUUJA-BZSNNMDCSA-N 1 2 372.517 2.764 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC001342247114 1050839573 /nfs/dbraw/zinc/83/95/73/1050839573.db2.gz HVCHANMECWUUJA-BZSNNMDCSA-N 1 2 372.517 2.764 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H]1CSC ZINC001340628227 1051007345 /nfs/dbraw/zinc/00/73/45/1051007345.db2.gz WRKPMIRBHQZWIR-QGZVFWFLSA-N 1 2 374.558 2.889 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC001340733159 1051091140 /nfs/dbraw/zinc/09/11/40/1051091140.db2.gz OCPWJWTVAZNSJS-CVEARBPZSA-N 1 2 370.501 2.572 20 30 FFEDLO C=C(C)Cn1c(-c2cocn2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001342778449 1051390771 /nfs/dbraw/zinc/39/07/71/1051390771.db2.gz MXEZRWNSCDANPM-UHFFFAOYSA-N 1 2 365.441 2.985 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001342797695 1051407736 /nfs/dbraw/zinc/40/77/36/1051407736.db2.gz FGLBFKWRXUMJPX-LJQANCHMSA-N 1 2 373.545 2.827 20 30 FFEDLO C=C(C)Cn1c(Nc2cccc(OC)c2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001343402749 1052208451 /nfs/dbraw/zinc/20/84/51/1052208451.db2.gz BVRATZFBXGCSFP-BEFAXECRSA-N 1 2 357.458 2.518 20 30 FFEDLO C=C(C)Cn1c(Nc2cccc(OC)c2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001343402749 1052208462 /nfs/dbraw/zinc/20/84/62/1052208462.db2.gz BVRATZFBXGCSFP-BEFAXECRSA-N 1 2 357.458 2.518 20 30 FFEDLO C[C@@H]1Cc2cc(C[NH2+][C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)ccc2O1 ZINC001308673149 1052484557 /nfs/dbraw/zinc/48/45/57/1052484557.db2.gz VANTUFAJARBHFI-COXVUDFISA-N 1 2 357.454 2.859 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC(F)(F)C1 ZINC001343946842 1052504633 /nfs/dbraw/zinc/50/46/33/1052504633.db2.gz DOXVYFGUWLPSRE-LSDHHAIUSA-N 1 2 367.444 2.625 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC(F)(F)C1 ZINC001343946842 1052504641 /nfs/dbraw/zinc/50/46/41/1052504641.db2.gz DOXVYFGUWLPSRE-LSDHHAIUSA-N 1 2 367.444 2.625 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@H](c2nnc(N3CCC(C)(C#N)CC3)n2CC2CC2)C1 ZINC001345724254 1052588623 /nfs/dbraw/zinc/58/86/23/1052588623.db2.gz LMVWQFCRUXAZSX-KRWDZBQOSA-N 1 2 372.517 2.600 20 30 FFEDLO CC(C)[N@H+]1CCO[C@H](c2nnc(N3CCC(C)(C#N)CC3)n2CC2CC2)C1 ZINC001345724254 1052588631 /nfs/dbraw/zinc/58/86/31/1052588631.db2.gz LMVWQFCRUXAZSX-KRWDZBQOSA-N 1 2 372.517 2.600 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@H](c2ccco2)C1 ZINC001345994376 1052699615 /nfs/dbraw/zinc/69/96/15/1052699615.db2.gz PYAYYRYDCYDCGJ-HNNXBMFYSA-N 1 2 352.442 2.765 20 30 FFEDLO C=CCC1(O)CCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2CC(C)C)CC1 ZINC001347414941 1053957111 /nfs/dbraw/zinc/95/71/11/1053957111.db2.gz XXKQVXBUCLJMKO-KRWDZBQOSA-N 1 2 361.534 2.998 20 30 FFEDLO C=CCC1(O)CCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2CC(C)C)CC1 ZINC001347414941 1053957116 /nfs/dbraw/zinc/95/71/16/1053957116.db2.gz XXKQVXBUCLJMKO-KRWDZBQOSA-N 1 2 361.534 2.998 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c(C)cc(C)[nH+]c1C ZINC001347501606 1054050057 /nfs/dbraw/zinc/05/00/57/1054050057.db2.gz ASYMHRFIUJHFMA-KURKYZTESA-N 1 2 353.466 2.672 20 30 FFEDLO C=C1CCC(C(=O)NC[C@H](C2CC2)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001336927227 1054344832 /nfs/dbraw/zinc/34/48/32/1054344832.db2.gz KLANUHUEWFDPBC-ZHALLVOQSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C1CCC(C(=O)NC[C@H](C2CC2)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001336927227 1054344844 /nfs/dbraw/zinc/34/48/44/1054344844.db2.gz KLANUHUEWFDPBC-ZHALLVOQSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001347965411 1054509384 /nfs/dbraw/zinc/50/93/84/1054509384.db2.gz SQGPLKDSILLYTQ-MRUHUIDDSA-N 1 2 370.497 2.683 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001351615221 1054921326 /nfs/dbraw/zinc/92/13/26/1054921326.db2.gz HEUVXVDIFGSTKT-NVXWUHKLSA-N 1 2 357.458 2.792 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001351615221 1054921338 /nfs/dbraw/zinc/92/13/38/1054921338.db2.gz HEUVXVDIFGSTKT-NVXWUHKLSA-N 1 2 357.458 2.792 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1C[C@@H]2COC[C@]2(C)C1 ZINC001351982102 1055099213 /nfs/dbraw/zinc/09/92/13/1055099213.db2.gz XULNGNTXLJFAER-HLIPFELVSA-N 1 2 370.501 2.769 20 30 FFEDLO C=CC(C)(C)NC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001349412958 1055241035 /nfs/dbraw/zinc/24/10/35/1055241035.db2.gz IGNHUFWZFVEBFH-UHFFFAOYSA-N 1 2 352.438 2.906 20 30 FFEDLO CN(c1nnc([C@H]2CCC[N@@H+]2C)n1C[C@@H]1CCCCO1)[C@@H]1CCC[C@@H]1C#N ZINC001349425693 1055249653 /nfs/dbraw/zinc/24/96/53/1055249653.db2.gz VELOXOZQMUOCEN-XMTFNYHQSA-N 1 2 372.517 2.742 20 30 FFEDLO CN(c1nnc([C@H]2CCC[N@H+]2C)n1C[C@@H]1CCCCO1)[C@@H]1CCC[C@@H]1C#N ZINC001349425693 1055249664 /nfs/dbraw/zinc/24/96/64/1055249664.db2.gz VELOXOZQMUOCEN-XMTFNYHQSA-N 1 2 372.517 2.742 20 30 FFEDLO C=CCn1c([C@@H](C)C(C)C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001356180420 1055362019 /nfs/dbraw/zinc/36/20/19/1055362019.db2.gz UDULUBAFJZDQMU-HNNXBMFYSA-N 1 2 355.490 2.649 20 30 FFEDLO C=CCO[C@@H]1CCN(c2nnc([C@@H](CC(C)C)n3cc[nH+]c3)n2CC)C1 ZINC001352395800 1055436376 /nfs/dbraw/zinc/43/63/76/1055436376.db2.gz BTMXASRHXIWHCO-IAGOWNOFSA-N 1 2 358.490 2.911 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1C ZINC001338490393 1055562148 /nfs/dbraw/zinc/56/21/48/1055562148.db2.gz RUPSAGHVQUBURC-GOSISDBHSA-N 1 2 355.486 2.789 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1C ZINC001338490393 1055562152 /nfs/dbraw/zinc/56/21/52/1055562152.db2.gz RUPSAGHVQUBURC-GOSISDBHSA-N 1 2 355.486 2.789 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001356694807 1055662140 /nfs/dbraw/zinc/66/21/40/1055662140.db2.gz YBFDQEYMPPKVFW-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001356694807 1055662144 /nfs/dbraw/zinc/66/21/44/1055662144.db2.gz YBFDQEYMPPKVFW-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001356694808 1055662656 /nfs/dbraw/zinc/66/26/56/1055662656.db2.gz YBFDQEYMPPKVFW-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001356694808 1055662663 /nfs/dbraw/zinc/66/26/63/1055662663.db2.gz YBFDQEYMPPKVFW-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO CCn1c(-c2ccc(C#N)[nH]2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001352650466 1055686307 /nfs/dbraw/zinc/68/63/07/1055686307.db2.gz ZORXSAIKTGXANZ-UHFFFAOYSA-N 1 2 362.441 2.641 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001350574598 1055840859 /nfs/dbraw/zinc/84/08/59/1055840859.db2.gz XZQNUSXSNUNFAZ-AEFFLSMTSA-N 1 2 368.481 2.681 20 30 FFEDLO N#Cc1csc(CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)n1 ZINC001200172734 1055940795 /nfs/dbraw/zinc/94/07/95/1055940795.db2.gz AQSVTJPFROOSCW-UHFFFAOYSA-N 1 2 368.422 2.612 20 30 FFEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCO[C@H](C)C1 ZINC001338995782 1055999379 /nfs/dbraw/zinc/99/93/79/1055999379.db2.gz SRIAAMAQCLNKRS-SJORKVTESA-N 1 2 355.486 2.882 20 30 FFEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCO[C@H](C)C1 ZINC001338995782 1055999388 /nfs/dbraw/zinc/99/93/88/1055999388.db2.gz SRIAAMAQCLNKRS-SJORKVTESA-N 1 2 355.486 2.882 20 30 FFEDLO Cc1c(C(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)cnn1CCC#N ZINC001339114276 1056105586 /nfs/dbraw/zinc/10/55/86/1056105586.db2.gz CNPDOUWCUIREOQ-QGZVFWFLSA-N 1 2 357.845 2.545 20 30 FFEDLO C=CCn1c(C2CCSCC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001351430841 1056259933 /nfs/dbraw/zinc/25/99/33/1056259933.db2.gz WISNXSZNSGPHBS-UHFFFAOYSA-N 1 2 370.526 2.796 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(CC#N)CC1 ZINC001351527115 1056308915 /nfs/dbraw/zinc/30/89/15/1056308915.db2.gz SCHMXVGGAQWEQW-MSOLQXFVSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(CC#N)CC1 ZINC001351527115 1056308932 /nfs/dbraw/zinc/30/89/32/1056308932.db2.gz SCHMXVGGAQWEQW-MSOLQXFVSA-N 1 2 370.501 2.520 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CCCNc1cccc[nH+]1 ZINC001358888660 1056583697 /nfs/dbraw/zinc/58/36/97/1056583697.db2.gz QCFFPRJDXULTGM-IRXDYDNUSA-N 1 2 368.485 2.875 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CC(CC)(CC)OC)CC1 ZINC001359029271 1056665270 /nfs/dbraw/zinc/66/52/70/1056665270.db2.gz SNVKUOPFUVTIJB-KRWDZBQOSA-N 1 2 361.534 2.752 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001359034931 1056666791 /nfs/dbraw/zinc/66/67/91/1056666791.db2.gz HAWJOBCAGGOKPL-UHFFFAOYSA-N 1 2 369.435 2.889 20 30 FFEDLO C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1Cc1c[nH+]ccc1OC ZINC001359110885 1056724520 /nfs/dbraw/zinc/72/45/20/1056724520.db2.gz GGUMSRQMACZNKT-UHFFFAOYSA-N 1 2 367.457 2.533 20 30 FFEDLO C=CCN(C)c1nnc(-c2cnn(C)c2)n1CCCc1cccc(C)[nH+]1 ZINC001359237706 1056855494 /nfs/dbraw/zinc/85/54/94/1056855494.db2.gz JRWSJOBPNGCIAL-UHFFFAOYSA-N 1 2 351.458 2.637 20 30 FFEDLO N#Cc1cccc2[nH]cc(C(=O)NCc3ccccc3C[NH+]3CCOCC3)c21 ZINC001518787099 1058496252 /nfs/dbraw/zinc/49/62/52/1058496252.db2.gz AJJSYPGPMKBPIV-UHFFFAOYSA-N 1 2 374.444 2.802 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](CC(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001500484236 1058500595 /nfs/dbraw/zinc/50/05/95/1058500595.db2.gz PJAOXHCEIRHYEL-BZUAXINKSA-N 1 2 360.502 2.763 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](CC(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001500484236 1058500621 /nfs/dbraw/zinc/50/06/21/1058500621.db2.gz PJAOXHCEIRHYEL-BZUAXINKSA-N 1 2 360.502 2.763 20 30 FFEDLO C=C(C)Cn1c(N2CCC(CC)(CC)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001515003867 1059213499 /nfs/dbraw/zinc/21/34/99/1059213499.db2.gz ODRUQVINTAPKCR-LPHOPBHVSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC(CC)(CC)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001515003867 1059213517 /nfs/dbraw/zinc/21/35/17/1059213517.db2.gz ODRUQVINTAPKCR-LPHOPBHVSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C1CCN(c2nnc(C[NH+]3CCCCC3)n2C[C@H]2CCCCO2)CC1 ZINC001519960146 1059247478 /nfs/dbraw/zinc/24/74/78/1059247478.db2.gz KMSKTDRTEXRNEO-GOSISDBHSA-N 1 2 359.518 2.990 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CCCOC2CCCC2)CC1 ZINC001300682334 1059316906 /nfs/dbraw/zinc/31/69/06/1059316906.db2.gz GMKAUWJPQDYEAJ-GOSISDBHSA-N 1 2 373.545 2.896 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3C)n2Cc2ccco2)CC1 ZINC001300692233 1059362874 /nfs/dbraw/zinc/36/28/74/1059362874.db2.gz AEQHRYQVZQVQJM-UHFFFAOYSA-N 1 2 361.449 2.650 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCCCC2)CC1 ZINC001300700526 1059406516 /nfs/dbraw/zinc/40/65/16/1059406516.db2.gz RSXGBFVUUUOXIB-IBGZPJMESA-N 1 2 371.529 2.508 20 30 FFEDLO C=CCn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1[C@](C)(O)CC ZINC001520423956 1059673394 /nfs/dbraw/zinc/67/33/94/1059673394.db2.gz WPBZOUHBLKJZNQ-LJQANCHMSA-N 1 2 356.474 2.558 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(CC)cc3)n2[C@@H]2C[C@H]2CF)CC1 ZINC001507721874 1059702620 /nfs/dbraw/zinc/70/26/20/1059702620.db2.gz UXBLLUZXIJWWOZ-RBUKOAKNSA-N 1 2 367.472 2.793 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CC2CCC(OC)CC2)CC1 ZINC001507722149 1059703367 /nfs/dbraw/zinc/70/33/67/1059703367.db2.gz QGHCSYAEKCWXPP-LMDPOFIKSA-N 1 2 373.545 2.752 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3C)n2CCCSC)CC1 ZINC001507723109 1059704079 /nfs/dbraw/zinc/70/40/79/1059704079.db2.gz VHLIRSMSNCMTNM-UHFFFAOYSA-N 1 2 369.538 2.762 20 30 FFEDLO C=C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001507883162 1059745858 /nfs/dbraw/zinc/74/58/58/1059745858.db2.gz SWKVWHWNGOJVHH-UHFFFAOYSA-N 1 2 363.469 2.939 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001512847859 1060718888 /nfs/dbraw/zinc/71/88/88/1060718888.db2.gz XWQBXQDGCRNFQT-YZVOILCLSA-N 1 2 366.465 2.838 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)C/C(C)=C\c1ccccc1 ZINC001355921003 1060728602 /nfs/dbraw/zinc/72/86/02/1060728602.db2.gz ZPMQGQVFIZYQSN-ARNPEBRGSA-N 1 2 367.497 2.741 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)C/C(C)=C\c1ccccc1 ZINC001355921003 1060728619 /nfs/dbraw/zinc/72/86/19/1060728619.db2.gz ZPMQGQVFIZYQSN-ARNPEBRGSA-N 1 2 367.497 2.741 20 30 FFEDLO CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC001459315243 1060745289 /nfs/dbraw/zinc/74/52/89/1060745289.db2.gz VOKRZKBEMBQDSA-LJQANCHMSA-N 1 2 363.465 2.801 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3CCC[N@H+]3C)n2C[C@@H]2CCCCO2)C1 ZINC001526385005 1061107126 /nfs/dbraw/zinc/10/71/26/1061107126.db2.gz RLOPEDMRIBDXMP-QYZOEREBSA-N 1 2 371.529 2.854 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2C[C@@H]2CCCCO2)C1 ZINC001526385005 1061107137 /nfs/dbraw/zinc/10/71/37/1061107137.db2.gz RLOPEDMRIBDXMP-QYZOEREBSA-N 1 2 371.529 2.854 20 30 FFEDLO C=CCCC[N@@H+](CC)CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC001460901068 1061143822 /nfs/dbraw/zinc/14/38/22/1061143822.db2.gz NBLOOBWFKFRXJV-UHFFFAOYSA-N 1 2 360.426 2.910 20 30 FFEDLO C=CCCC[N@H+](CC)CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC001460901068 1061143832 /nfs/dbraw/zinc/14/38/32/1061143832.db2.gz NBLOOBWFKFRXJV-UHFFFAOYSA-N 1 2 360.426 2.910 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001521908398 1061218719 /nfs/dbraw/zinc/21/87/19/1061218719.db2.gz CXQAHPFFVSAHTC-IXDOHACOSA-N 1 2 360.502 2.647 20 30 FFEDLO C=C1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCn2cc[nH+]c2)C3)CC1 ZINC001522288129 1061875069 /nfs/dbraw/zinc/87/50/69/1061875069.db2.gz BHUDRAQFHYIYSW-QRVBRYPASA-N 1 2 370.497 2.658 20 30 FFEDLO N#Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c(F)c1 ZINC001360075061 1061887087 /nfs/dbraw/zinc/88/70/87/1061887087.db2.gz NRRVASFZCSOVRF-UHFFFAOYSA-N 1 2 365.324 2.721 20 30 FFEDLO C[C@@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1CCCNc1cccc[nH+]1 ZINC001360475005 1061963955 /nfs/dbraw/zinc/96/39/55/1061963955.db2.gz YGMYFBQVBFMAGY-HNNXBMFYSA-N 1 2 364.457 2.909 20 30 FFEDLO N#Cc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)s1 ZINC001478848715 1062128731 /nfs/dbraw/zinc/12/87/31/1062128731.db2.gz GPGJPKASORHGID-UHFFFAOYSA-N 1 2 373.507 2.567 20 30 FFEDLO N#CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC001463718610 1062226075 /nfs/dbraw/zinc/22/60/75/1062226075.db2.gz PQNNCZGRRYUKAC-OAQYLSRUSA-N 1 2 363.461 2.832 20 30 FFEDLO C=CCNC(=O)c1ccccc1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC001463905177 1062321903 /nfs/dbraw/zinc/32/19/03/1062321903.db2.gz CYQBXSXEODHSRW-CQSZACIVSA-N 1 2 366.343 2.931 20 30 FFEDLO Cn1cc[nH+]c1C[C@H](NS(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC001464132795 1062440717 /nfs/dbraw/zinc/44/07/17/1062440717.db2.gz AXODDIVJFIVVMW-AWEZNQCLSA-N 1 2 372.475 2.616 20 30 FFEDLO N#Cc1cc(S(=O)(=O)NCCn2c[nH+]cc2-c2ccccc2)ccc1F ZINC001464174101 1062463623 /nfs/dbraw/zinc/46/36/23/1062463623.db2.gz HDYRSORNPVWOOZ-UHFFFAOYSA-N 1 2 370.409 2.539 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2ccccc2F)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001523780058 1062619992 /nfs/dbraw/zinc/61/99/92/1062619992.db2.gz XRCIGHUKPAADDW-OXQOHEQNSA-N 1 2 373.476 2.541 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2ccccc2F)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001523780058 1062620000 /nfs/dbraw/zinc/62/00/00/1062620000.db2.gz XRCIGHUKPAADDW-OXQOHEQNSA-N 1 2 373.476 2.541 20 30 FFEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCCOCC1 ZINC001524017534 1062693424 /nfs/dbraw/zinc/69/34/24/1062693424.db2.gz DJKFZCNUFIDZIQ-QGZVFWFLSA-N 1 2 358.490 2.913 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC=C(C)C1 ZINC001524358242 1062813315 /nfs/dbraw/zinc/81/33/15/1062813315.db2.gz KDTOVPBBQNCSCK-QZTJIDSGSA-N 1 2 357.502 2.936 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC=C(C)C1 ZINC001524358242 1062813336 /nfs/dbraw/zinc/81/33/36/1062813336.db2.gz KDTOVPBBQNCSCK-QZTJIDSGSA-N 1 2 357.502 2.936 20 30 FFEDLO CCc1ccc([C@@H]2CN(S(=O)(=O)c3cccc(F)c3C#N)CC[NH2+]2)cc1 ZINC001464884251 1062894817 /nfs/dbraw/zinc/89/48/17/1062894817.db2.gz QUUVDPJVFWFZCQ-SFHVURJKSA-N 1 2 373.453 2.595 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc([C@H]3C[N@@H+](C(C)C)CCO3)n2CC(C)C)C1 ZINC001524837822 1063015717 /nfs/dbraw/zinc/01/57/17/1063015717.db2.gz PUUWKFUQLTWRJV-RBUKOAKNSA-N 1 2 373.545 2.956 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc([C@H]3C[N@H+](C(C)C)CCO3)n2CC(C)C)C1 ZINC001524837822 1063015731 /nfs/dbraw/zinc/01/57/31/1063015731.db2.gz PUUWKFUQLTWRJV-RBUKOAKNSA-N 1 2 373.545 2.956 20 30 FFEDLO Cc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1C#N ZINC001439167828 1063104666 /nfs/dbraw/zinc/10/46/66/1063104666.db2.gz IRNUCEDIBNGIIB-UHFFFAOYSA-N 1 2 361.361 2.891 20 30 FFEDLO Cc1cccn2cc(CC(=O)N3CC[C@H](N(C)c4cccc(C#N)c4)C3)[nH+]c12 ZINC001469546150 1064165330 /nfs/dbraw/zinc/16/53/30/1064165330.db2.gz QPDFLTVNQUWXSM-FQEVSTJZSA-N 1 2 373.460 2.794 20 30 FFEDLO C=CCC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)c2ccn(CC)c2C)CC1 ZINC001575097736 1078106785 /nfs/dbraw/zinc/10/67/85/1078106785.db2.gz PHWLKODVZJNEPM-UHFFFAOYSA-N 1 2 370.501 2.617 20 30 FFEDLO Cc1cc(NCc2ccccc2OCC[NH+]2CCOCC2)ncc1C#N ZINC001472671506 1065126140 /nfs/dbraw/zinc/12/61/40/1065126140.db2.gz NMFUNTBYMBEDRP-UHFFFAOYSA-N 1 2 352.438 2.585 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c1 ZINC001473513605 1065276558 /nfs/dbraw/zinc/27/65/58/1065276558.db2.gz BPRGEEHRUMNBKY-HNNXBMFYSA-N 1 2 363.417 2.599 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2Cc3ccccc3O[C@@H](C)C2)c1 ZINC001473513605 1065276567 /nfs/dbraw/zinc/27/65/67/1065276567.db2.gz BPRGEEHRUMNBKY-HNNXBMFYSA-N 1 2 363.417 2.599 20 30 FFEDLO C=CCN(C)S(=O)(=O)c1ccc(NCc2cccc3[nH+]ccn32)cc1 ZINC001474262635 1065481820 /nfs/dbraw/zinc/48/18/20/1065481820.db2.gz ZAPNZKCJHGUXCQ-UHFFFAOYSA-N 1 2 356.451 2.753 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3ccc4c(c3)C[C@@H](C)O4)CC2)c1C#N ZINC001474554653 1065548045 /nfs/dbraw/zinc/54/80/45/1065548045.db2.gz MMXCSLWZILTRFC-CYBMUJFWSA-N 1 2 354.479 2.969 20 30 FFEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1sccc1C(N)=O ZINC001559508149 1076168241 /nfs/dbraw/zinc/16/82/41/1076168241.db2.gz KELOZMGVJKONSZ-ZDUSSCGKSA-N 1 2 368.462 2.734 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1sccc1C(N)=O ZINC001559508149 1076168243 /nfs/dbraw/zinc/16/82/43/1076168243.db2.gz KELOZMGVJKONSZ-ZDUSSCGKSA-N 1 2 368.462 2.734 20 30 FFEDLO C[N@H+](CCOCc1ccc(C#N)cc1)CCS(=O)(=O)C1CCCCC1 ZINC001559878353 1076197738 /nfs/dbraw/zinc/19/77/38/1076197738.db2.gz AJZKDHQCYPWBDH-UHFFFAOYSA-N 1 2 364.511 2.754 20 30 FFEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)CCS(=O)(=O)C1CCCCC1 ZINC001559878353 1076197741 /nfs/dbraw/zinc/19/77/41/1076197741.db2.gz AJZKDHQCYPWBDH-UHFFFAOYSA-N 1 2 364.511 2.754 20 30 FFEDLO COC(=O)c1ccc2c(c1)CC[C@H]([NH2+]Cc1cccc(F)c1C#N)C(=O)N2 ZINC001561022640 1076321273 /nfs/dbraw/zinc/32/12/73/1076321273.db2.gz VFFGIWLVWFVMJV-SFHVURJKSA-N 1 2 367.380 2.527 20 30 FFEDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@@H]1C(C)(C)C ZINC001561899796 1076440905 /nfs/dbraw/zinc/44/09/05/1076440905.db2.gz XHYOXBBEQMPLCQ-OAHLLOKOSA-N 1 2 355.891 2.562 20 30 FFEDLO C[N@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@@H]1C(C)(C)C ZINC001561899796 1076440908 /nfs/dbraw/zinc/44/09/08/1076440908.db2.gz XHYOXBBEQMPLCQ-OAHLLOKOSA-N 1 2 355.891 2.562 20 30 FFEDLO CC(C)C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC001561958027 1076453560 /nfs/dbraw/zinc/45/35/60/1076453560.db2.gz WSRPCIHVTOVRNF-ZDUSSCGKSA-N 1 2 355.891 2.562 20 30 FFEDLO CC(C)C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC001561958027 1076453561 /nfs/dbraw/zinc/45/35/61/1076453561.db2.gz WSRPCIHVTOVRNF-ZDUSSCGKSA-N 1 2 355.891 2.562 20 30 FFEDLO CC(C)C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC001561957908 1076453667 /nfs/dbraw/zinc/45/36/67/1076453667.db2.gz SVIGLMBZJYYZHY-CQSZACIVSA-N 1 2 355.891 2.562 20 30 FFEDLO CC(C)C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC001561957908 1076453673 /nfs/dbraw/zinc/45/36/73/1076453673.db2.gz SVIGLMBZJYYZHY-CQSZACIVSA-N 1 2 355.891 2.562 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2cnn(-c3ccccc3)n2)[C@@H]1CC ZINC001566010619 1076844832 /nfs/dbraw/zinc/84/48/32/1076844832.db2.gz MEXBVDSVEDFSIC-VQTJNVASSA-N 1 2 365.481 2.540 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)n2)[C@@H]1CC ZINC001566010619 1076844836 /nfs/dbraw/zinc/84/48/36/1076844836.db2.gz MEXBVDSVEDFSIC-VQTJNVASSA-N 1 2 365.481 2.540 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@H+](Cc4nc(C)no4)CC[C@@H]3C2)CCCC1 ZINC001566055558 1076883162 /nfs/dbraw/zinc/88/31/62/1076883162.db2.gz ZADWSCWELNQTMG-SJORKVTESA-N 1 2 358.486 2.795 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4nc(C)no4)CC[C@@H]3C2)CCCC1 ZINC001566055558 1076883170 /nfs/dbraw/zinc/88/31/70/1076883170.db2.gz ZADWSCWELNQTMG-SJORKVTESA-N 1 2 358.486 2.795 20 30 FFEDLO CC[C@@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001566814788 1076984223 /nfs/dbraw/zinc/98/42/23/1076984223.db2.gz XXPGFSSWNKAVKT-PMACEKPBSA-N 1 2 355.482 2.939 20 30 FFEDLO CC[C@@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC001566814788 1076984227 /nfs/dbraw/zinc/98/42/27/1076984227.db2.gz XXPGFSSWNKAVKT-PMACEKPBSA-N 1 2 355.482 2.939 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)NCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001567442712 1077027428 /nfs/dbraw/zinc/02/74/28/1077027428.db2.gz NZDVGQLGVJNQCV-BEFAXECRSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)NCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001567442712 1077027434 /nfs/dbraw/zinc/02/74/34/1077027434.db2.gz NZDVGQLGVJNQCV-BEFAXECRSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)NCC[N@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC001567442075 1077027582 /nfs/dbraw/zinc/02/75/82/1077027582.db2.gz BHVOPBQFEKWDLF-KUHUBIRLSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)NCC[N@@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC001567442075 1077027586 /nfs/dbraw/zinc/02/75/86/1077027586.db2.gz BHVOPBQFEKWDLF-KUHUBIRLSA-N 1 2 359.445 2.593 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC001567450782 1077028566 /nfs/dbraw/zinc/02/85/66/1077028566.db2.gz QAIGBEJUBCGTLD-AEFFLSMTSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC001567450782 1077028569 /nfs/dbraw/zinc/02/85/69/1077028569.db2.gz QAIGBEJUBCGTLD-AEFFLSMTSA-N 1 2 350.409 2.637 20 30 FFEDLO C=CCCC(=O)N[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1CC ZINC001573262540 1077643213 /nfs/dbraw/zinc/64/32/13/1077643213.db2.gz OAGLTOLMDVSJHH-RBUKOAKNSA-N 1 2 366.465 2.948 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)[C@@H]1CC ZINC001573270486 1077649211 /nfs/dbraw/zinc/64/92/11/1077649211.db2.gz INAHMGMJTWGWPY-YESZJQIVSA-N 1 2 360.502 2.932 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001573837606 1077814086 /nfs/dbraw/zinc/81/40/86/1077814086.db2.gz CTORTKCODNGVTA-BRWVUGGUSA-N 1 2 360.502 2.647 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(F)cc2F)CC1 ZINC001588743145 1080178902 /nfs/dbraw/zinc/17/89/02/1080178902.db2.gz YKCCCGJFVYMXOB-HNNXBMFYSA-N 1 2 373.451 2.873 20 30 FFEDLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000017843346 249325888 /nfs/dbraw/zinc/32/58/88/249325888.db2.gz JDDIJLDWAKCJFB-UHFFFAOYSA-N 1 2 365.433 2.533 20 30 FFEDLO C[C@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000022352982 249331591 /nfs/dbraw/zinc/33/15/91/249331591.db2.gz NZVDWZWVIFECTG-MRXNPFEDSA-N 1 2 355.463 2.626 20 30 FFEDLO Cc1ccc2[nH+]c(COc3cccc(C(=O)N(CC#N)CC#N)c3)cn2c1 ZINC000060332083 221129024 /nfs/dbraw/zinc/12/90/24/221129024.db2.gz JRIGGNAUOVEZJQ-UHFFFAOYSA-N 1 2 359.389 2.711 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)COc1ccc(C#N)cc1OC ZINC000281884774 256674250 /nfs/dbraw/zinc/67/42/50/256674250.db2.gz SJUWAMCNFDZUKY-INIZCTEOSA-N 1 2 368.437 2.916 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287071299 257070307 /nfs/dbraw/zinc/07/03/07/257070307.db2.gz PZZTYHHRRYUUBI-RDJZCZTQSA-N 1 2 372.469 2.672 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1C#N ZINC000287171597 257075534 /nfs/dbraw/zinc/07/55/34/257075534.db2.gz QYDZAVJLPQUICS-CRAIPNDOSA-N 1 2 372.469 2.672 20 30 FFEDLO Cc1nsc(N2CCN(Cc3cn4c(cccc4C)[nH+]3)CC2)c1C#N ZINC000289507041 257284694 /nfs/dbraw/zinc/28/46/94/257284694.db2.gz QPLLSOZRBGBCOF-UHFFFAOYSA-N 1 2 352.467 2.602 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)C1=O ZINC000289744613 257296700 /nfs/dbraw/zinc/29/67/00/257296700.db2.gz FAZBWLSQQWUGAH-KBPBESRZSA-N 1 2 361.858 2.522 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H](n3cc(Cl)cn3)C2)C1=O ZINC000289744613 257296701 /nfs/dbraw/zinc/29/67/01/257296701.db2.gz FAZBWLSQQWUGAH-KBPBESRZSA-N 1 2 361.858 2.522 20 30 FFEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccc(C#N)c(Cl)c3)CC2)C1 ZINC000301161932 258030826 /nfs/dbraw/zinc/03/08/26/258030826.db2.gz PQBKHIZFLCSQRE-HOTGVXAUSA-N 1 2 374.916 2.838 20 30 FFEDLO N#Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000301214222 258034878 /nfs/dbraw/zinc/03/48/78/258034878.db2.gz YFUKWQCHWYWIGG-UHFFFAOYSA-N 1 2 360.889 2.736 20 30 FFEDLO CCCCCC(=O)NC1CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000299600241 258009039 /nfs/dbraw/zinc/00/90/39/258009039.db2.gz VKUGWYNJAAHPCY-UHFFFAOYSA-N 1 2 374.485 2.868 20 30 FFEDLO N#Cc1c(NC[C@@H](c2cccc(F)c2)[NH+]2CCOCC2)nc2ccccn21 ZINC000302115100 258088582 /nfs/dbraw/zinc/08/85/82/258088582.db2.gz VTUJDGAVXKQINT-SFHVURJKSA-N 1 2 365.412 2.830 20 30 FFEDLO COc1ccc(F)cc1C[NH+]1CCN(c2c(C#N)cccc2C#N)CC1 ZINC000302863951 258112877 /nfs/dbraw/zinc/11/28/77/258112877.db2.gz XFKHLOATPKTIEU-UHFFFAOYSA-N 1 2 350.397 2.900 20 30 FFEDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000331192580 258179473 /nfs/dbraw/zinc/17/94/73/258179473.db2.gz WOCOZBQKXYTORQ-AWEZNQCLSA-N 1 2 350.260 2.811 20 30 FFEDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000331192580 258179474 /nfs/dbraw/zinc/17/94/74/258179474.db2.gz WOCOZBQKXYTORQ-AWEZNQCLSA-N 1 2 350.260 2.811 20 30 FFEDLO C=CCOc1ccc(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)cc1 ZINC000046719929 132302203 /nfs/dbraw/zinc/30/22/03/132302203.db2.gz ILFLGEAAIXSFMU-INIZCTEOSA-N 1 2 367.449 2.802 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377122774 512132982 /nfs/dbraw/zinc/13/29/82/512132982.db2.gz JWIFILNGNVLUMU-IAGOWNOFSA-N 1 2 365.518 2.742 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000032832833 506301266 /nfs/dbraw/zinc/30/12/66/506301266.db2.gz RQHDZLRZRCHPRN-IBGZPJMESA-N 1 2 362.905 2.512 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000053212081 506333469 /nfs/dbraw/zinc/33/34/69/506333469.db2.gz KVBNQTOXIYGTPA-UHFFFAOYSA-N 1 2 373.460 2.955 20 30 FFEDLO C#CCOCCC(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000366770919 512179858 /nfs/dbraw/zinc/17/98/58/512179858.db2.gz OFPPIPIVVMPOCX-UHFFFAOYSA-N 1 2 372.513 2.766 20 30 FFEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000366814796 512199080 /nfs/dbraw/zinc/19/90/80/512199080.db2.gz ZAFZGFPPAOWOOE-UHFFFAOYSA-N 1 2 352.438 2.907 20 30 FFEDLO COc1c(O)c(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)ccc1[N+](=O)[O-] ZINC000373209850 512222318 /nfs/dbraw/zinc/22/23/18/512222318.db2.gz MUYQSYRWPHBFDE-QGZVFWFLSA-N 1 2 369.377 2.754 20 30 FFEDLO COc1c(O)c(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)ccc1[N+](=O)[O-] ZINC000373209850 512222323 /nfs/dbraw/zinc/22/23/23/512222323.db2.gz MUYQSYRWPHBFDE-QGZVFWFLSA-N 1 2 369.377 2.754 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000375235085 512224657 /nfs/dbraw/zinc/22/46/57/512224657.db2.gz WMDLAPJAEICPJU-CYBMUJFWSA-N 1 2 357.376 2.730 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000410313876 512237797 /nfs/dbraw/zinc/23/77/97/512237797.db2.gz ADXOIXUXUWAEAC-CQSZACIVSA-N 1 2 356.253 2.651 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000410313876 512237800 /nfs/dbraw/zinc/23/78/00/512237800.db2.gz ADXOIXUXUWAEAC-CQSZACIVSA-N 1 2 356.253 2.651 20 30 FFEDLO COc1ccc(N2CCC[N@H+](CC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000053772303 506440525 /nfs/dbraw/zinc/44/05/25/506440525.db2.gz VBWMODHBAYPMAL-UHFFFAOYSA-N 1 2 370.478 2.779 20 30 FFEDLO COc1ccc(N2CCC[N@@H+](CC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000053772303 506440534 /nfs/dbraw/zinc/44/05/34/506440534.db2.gz VBWMODHBAYPMAL-UHFFFAOYSA-N 1 2 370.478 2.779 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCN(c2ccccn2)CC1 ZINC000038712380 506443519 /nfs/dbraw/zinc/44/35/19/506443519.db2.gz GPZGKDGEHWPVDA-AWEZNQCLSA-N 1 2 369.856 2.756 20 30 FFEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(I)cc1 ZINC000066215706 506448973 /nfs/dbraw/zinc/44/89/73/506448973.db2.gz YRHMTYZXYRZFOF-UHFFFAOYSA-N 1 2 356.207 2.904 20 30 FFEDLO CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(-n3cc[nH+]c3)nn2)cc1 ZINC000066396156 506504778 /nfs/dbraw/zinc/50/47/78/506504778.db2.gz PGJOLYCZGUXTBT-KRWDZBQOSA-N 1 2 360.421 2.954 20 30 FFEDLO CCOc1ccccc1N1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000007600382 506572964 /nfs/dbraw/zinc/57/29/64/506572964.db2.gz GZACLSGCIPVILS-UHFFFAOYSA-N 1 2 364.449 2.718 20 30 FFEDLO CCOc1cc2c(cc1OCC)C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000007873250 506597252 /nfs/dbraw/zinc/59/72/52/506597252.db2.gz NYFXUFFREHLDPN-NRFANRHFSA-N 1 2 373.497 2.897 20 30 FFEDLO CCOc1cc2c(cc1OCC)C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000007873250 506597257 /nfs/dbraw/zinc/59/72/57/506597257.db2.gz NYFXUFFREHLDPN-NRFANRHFSA-N 1 2 373.497 2.897 20 30 FFEDLO C=CCNC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000042925032 506678763 /nfs/dbraw/zinc/67/87/63/506678763.db2.gz NSILGWNQKIXLLD-UHFFFAOYSA-N 1 2 369.444 2.533 20 30 FFEDLO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2nnc3n2CCC3)c1 ZINC000066905026 506688843 /nfs/dbraw/zinc/68/88/43/506688843.db2.gz LPWAJNIIIQETRT-UHFFFAOYSA-N 1 2 359.433 2.965 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000043467953 506745289 /nfs/dbraw/zinc/74/52/89/506745289.db2.gz XNOCCNORHPEBFG-UHFFFAOYSA-N 1 2 365.393 2.816 20 30 FFEDLO C=CCNC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000067125938 506765252 /nfs/dbraw/zinc/76/52/52/506765252.db2.gz XIZCQRAXXOUNGI-UHFFFAOYSA-N 1 2 370.884 2.973 20 30 FFEDLO C=CC[N@H+](CCC(=O)Nc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000067400026 506864676 /nfs/dbraw/zinc/86/46/76/506864676.db2.gz YNFKJEAGVVJCCD-QGZVFWFLSA-N 1 2 372.490 2.844 20 30 FFEDLO C=CC[N@@H+](CCC(=O)Nc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000067400026 506864677 /nfs/dbraw/zinc/86/46/77/506864677.db2.gz YNFKJEAGVVJCCD-QGZVFWFLSA-N 1 2 372.490 2.844 20 30 FFEDLO Cc1cc(N2CCN(C(=O)c3cccc(CC#N)c3)CC2)nc(C(C)C)[nH+]1 ZINC000044969525 506903874 /nfs/dbraw/zinc/90/38/74/506903874.db2.gz QIJPBSFHTDFFMQ-UHFFFAOYSA-N 1 2 363.465 2.937 20 30 FFEDLO Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000045679346 507001017 /nfs/dbraw/zinc/00/10/17/507001017.db2.gz WMGIYWZKMSMKPX-UHFFFAOYSA-N 1 2 354.479 2.956 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)Nc3cccc(C#N)c3)c[nH+]2)C[C@H](C)O1 ZINC000045959709 507052834 /nfs/dbraw/zinc/05/28/34/507052834.db2.gz NJIUBNFNKARIME-GJZGRUSLSA-N 1 2 365.437 2.889 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000017740286 507128703 /nfs/dbraw/zinc/12/87/03/507128703.db2.gz ZCSBWAQIRVRGOZ-KRWDZBQOSA-N 1 2 371.868 2.774 20 30 FFEDLO N#Cc1ccc(OCC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000018017450 507133655 /nfs/dbraw/zinc/13/36/55/507133655.db2.gz WLVKUFFJEVZQDH-UHFFFAOYSA-N 1 2 369.852 2.935 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000018233681 507145953 /nfs/dbraw/zinc/14/59/53/507145953.db2.gz VBMXLGNGISTTEW-HNAYVOBHSA-N 1 2 360.417 2.965 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3-n3cccn3)CC2)cc1 ZINC000047269634 507298767 /nfs/dbraw/zinc/29/87/67/507298767.db2.gz RPZXSSRMVWWIMH-UHFFFAOYSA-N 1 2 371.444 2.702 20 30 FFEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000022781630 507309583 /nfs/dbraw/zinc/30/95/83/507309583.db2.gz CWOYALJHNWFXJB-GUDVDZBRSA-N 1 2 368.525 2.854 20 30 FFEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781630 507309589 /nfs/dbraw/zinc/30/95/89/507309589.db2.gz CWOYALJHNWFXJB-GUDVDZBRSA-N 1 2 368.525 2.854 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CSCc3ccncc3)CC2)cc1 ZINC000048244949 507488207 /nfs/dbraw/zinc/48/82/07/507488207.db2.gz AGRKHPOMUWFCLQ-UHFFFAOYSA-N 1 2 366.490 2.531 20 30 FFEDLO N#CCOc1cccc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000048510217 507530843 /nfs/dbraw/zinc/53/08/43/507530843.db2.gz GMTQDWIODKQFFY-UHFFFAOYSA-N 1 2 351.410 2.906 20 30 FFEDLO CN(C(=O)C[N@H+](C)Cc1cnn(-c2ccccc2)c1)C1(C#N)CCCCC1 ZINC000027551242 507664040 /nfs/dbraw/zinc/66/40/40/507664040.db2.gz GSRBHIMLWBKHHG-UHFFFAOYSA-N 1 2 365.481 2.989 20 30 FFEDLO CN(C(=O)C[N@@H+](C)Cc1cnn(-c2ccccc2)c1)C1(C#N)CCCCC1 ZINC000027551242 507664049 /nfs/dbraw/zinc/66/40/49/507664049.db2.gz GSRBHIMLWBKHHG-UHFFFAOYSA-N 1 2 365.481 2.989 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)COc3ccc(F)cc3)CCO2)c1 ZINC000367142039 512356740 /nfs/dbraw/zinc/35/67/40/512356740.db2.gz TUHGTYBESXVREL-QUCCMNQESA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(F)cc3)CCO2)c1 ZINC000367142039 512356744 /nfs/dbraw/zinc/35/67/44/512356744.db2.gz TUHGTYBESXVREL-QUCCMNQESA-N 1 2 356.397 2.511 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1[N+](=O)[O-] ZINC000051180173 507747456 /nfs/dbraw/zinc/74/74/56/507747456.db2.gz QPXQISQPRAASJY-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO C=CCNC(=O)[C@@H](C)N1CC[NH+]([C@H](C)c2nc3ccccc3s2)CC1 ZINC000029159499 507765637 /nfs/dbraw/zinc/76/56/37/507765637.db2.gz OVFNRKCTGDKAHN-HUUCEWRRSA-N 1 2 358.511 2.666 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1cc(Br)ccc1OC ZINC000051471533 507772147 /nfs/dbraw/zinc/77/21/47/507772147.db2.gz LVNIQLLJMKHQIL-UHFFFAOYSA-N 1 2 368.275 2.652 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1cc(Br)ccc1OC ZINC000051471533 507772149 /nfs/dbraw/zinc/77/21/49/507772149.db2.gz LVNIQLLJMKHQIL-UHFFFAOYSA-N 1 2 368.275 2.652 20 30 FFEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1F ZINC000029447171 507778266 /nfs/dbraw/zinc/77/82/66/507778266.db2.gz OHECYLOZXSKSBP-HNNXBMFYSA-N 1 2 367.428 2.550 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000029783548 507790172 /nfs/dbraw/zinc/79/01/72/507790172.db2.gz FGNSQXIICIKZTP-BEFAXECRSA-N 1 2 360.417 2.965 20 30 FFEDLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857003 507793379 /nfs/dbraw/zinc/79/33/79/507793379.db2.gz ZBPKUBZHPDEXNW-BRWVUGGUSA-N 1 2 372.488 2.712 20 30 FFEDLO C[C@H](CNC(=O)c1sccc1C#N)[NH+]1CCN(c2ccccc2)CC1 ZINC000052035133 507795295 /nfs/dbraw/zinc/79/52/95/507795295.db2.gz HFACARSLZUKVSB-OAHLLOKOSA-N 1 2 354.479 2.560 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000107310934 507843321 /nfs/dbraw/zinc/84/33/21/507843321.db2.gz BHIBOBGRAZCCLX-UHFFFAOYSA-N 1 2 370.478 2.812 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000072899834 507871481 /nfs/dbraw/zinc/87/14/81/507871481.db2.gz RHRQGGWCYPLQQE-GMTAPVOTSA-N 1 2 359.314 2.667 20 30 FFEDLO CC(=O)c1cccc(NC(=O)[C@@H](C)O[NH+]=C(N)Cc2csc(C)n2)c1 ZINC000072920160 507873681 /nfs/dbraw/zinc/87/36/81/507873681.db2.gz NILDCOHFDGCNKG-LLVKDONJSA-N 1 2 360.439 2.513 20 30 FFEDLO CCn1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cn1 ZINC000072988966 507881992 /nfs/dbraw/zinc/88/19/92/507881992.db2.gz KOBQAQSGQLQBBP-LBPRGKRZSA-N 1 2 357.483 2.784 20 30 FFEDLO CCn1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cn1 ZINC000072988966 507881995 /nfs/dbraw/zinc/88/19/95/507881995.db2.gz KOBQAQSGQLQBBP-LBPRGKRZSA-N 1 2 357.483 2.784 20 30 FFEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3ncccc3C#N)CC2)cc1C ZINC000073647652 507942414 /nfs/dbraw/zinc/94/24/14/507942414.db2.gz FOZUOGZFCYTJEY-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO COC(=O)CC1CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000091067262 507948795 /nfs/dbraw/zinc/94/87/95/507948795.db2.gz ZCWNPRJOHKRBTH-UHFFFAOYSA-N 1 2 352.438 2.828 20 30 FFEDLO CC[N@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000109818525 507990261 /nfs/dbraw/zinc/99/02/61/507990261.db2.gz DODOKAIZRFMNNK-INIZCTEOSA-N 1 2 368.462 2.686 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000109818525 507990263 /nfs/dbraw/zinc/99/02/63/507990263.db2.gz DODOKAIZRFMNNK-INIZCTEOSA-N 1 2 368.462 2.686 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1OC ZINC000110953809 508059191 /nfs/dbraw/zinc/05/91/91/508059191.db2.gz HVQVXGVSFMYUQT-GOSISDBHSA-N 1 2 374.481 2.587 20 30 FFEDLO Cc1cccc([C@H](C)[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000075621640 508122002 /nfs/dbraw/zinc/12/20/02/508122002.db2.gz KEPDDCLTNRXOET-KRWDZBQOSA-N 1 2 369.490 2.934 20 30 FFEDLO CC1CCN(c2ccc(CNS(=O)(=O)c3ccc(C#N)cc3)c[nH+]2)CC1 ZINC000075789069 508133530 /nfs/dbraw/zinc/13/35/30/508133530.db2.gz ZFSXBVYGWBKKHL-UHFFFAOYSA-N 1 2 370.478 2.668 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1c(Cl)ccc2cccnc21 ZINC000081158088 508142136 /nfs/dbraw/zinc/14/21/36/508142136.db2.gz KKXNBHRBZYLILE-UHFFFAOYSA-N 1 2 358.873 2.936 20 30 FFEDLO N#Cc1csc(C[NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)c1 ZINC000093363617 508143140 /nfs/dbraw/zinc/14/31/40/508143140.db2.gz JLVNPHBFFKJNCK-IBGZPJMESA-N 1 2 366.490 2.543 20 30 FFEDLO C=CCc1cc(C[N@@H+](CC)[C@@H](C)CS(=O)(=O)CC)cc(OC)c1O ZINC000093413911 508145264 /nfs/dbraw/zinc/14/52/64/508145264.db2.gz CRZVTEBTDFLMQQ-AWEZNQCLSA-N 1 2 355.500 2.774 20 30 FFEDLO C=CCc1cc(C[N@H+](CC)[C@@H](C)CS(=O)(=O)CC)cc(OC)c1O ZINC000093413911 508145265 /nfs/dbraw/zinc/14/52/65/508145265.db2.gz CRZVTEBTDFLMQQ-AWEZNQCLSA-N 1 2 355.500 2.774 20 30 FFEDLO C=CCOc1ccccc1C[N@@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000093666973 508151437 /nfs/dbraw/zinc/15/14/37/508151437.db2.gz VSUQEDDKFLFRKT-IBGZPJMESA-N 1 2 358.482 2.855 20 30 FFEDLO C=CCOc1ccccc1C[N@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000093666973 508151438 /nfs/dbraw/zinc/15/14/38/508151438.db2.gz VSUQEDDKFLFRKT-IBGZPJMESA-N 1 2 358.482 2.855 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1csc(Cc2ccccc2)n1 ZINC000081515402 508184639 /nfs/dbraw/zinc/18/46/39/508184639.db2.gz VWCWWXGXOVRQHG-UHFFFAOYSA-N 1 2 370.522 2.782 20 30 FFEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000076512934 508217370 /nfs/dbraw/zinc/21/73/70/508217370.db2.gz SNMVAOAUEYIRHL-UHFFFAOYSA-N 1 2 353.397 2.534 20 30 FFEDLO COc1ccc(OCC[N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000097010085 508217701 /nfs/dbraw/zinc/21/77/01/508217701.db2.gz LVRVQVAPTKIPSJ-UHFFFAOYSA-N 1 2 357.410 2.726 20 30 FFEDLO COc1ccc(OCC[N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000097010085 508217702 /nfs/dbraw/zinc/21/77/02/508217702.db2.gz LVRVQVAPTKIPSJ-UHFFFAOYSA-N 1 2 357.410 2.726 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)NCc2cccc(C#N)c2)CC1 ZINC000076552856 508223032 /nfs/dbraw/zinc/22/30/32/508223032.db2.gz AIVFSTZJZGFUHP-UHFFFAOYSA-N 1 2 364.449 2.594 20 30 FFEDLO CCCCN(C)C(=O)C1CC[NH+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000083168895 508238621 /nfs/dbraw/zinc/23/86/21/508238621.db2.gz MPHWZAUUQIPLES-LJQANCHMSA-N 1 2 371.481 2.743 20 30 FFEDLO CCC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@@H](C)C(=O)Nc1ccccc1 ZINC000101549107 508244860 /nfs/dbraw/zinc/24/48/60/508244860.db2.gz BBPMQYOYRNPWBJ-SJORKVTESA-N 1 2 358.486 2.734 20 30 FFEDLO CCC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@@H](C)C(=O)Nc1ccccc1 ZINC000101549107 508244861 /nfs/dbraw/zinc/24/48/61/508244861.db2.gz BBPMQYOYRNPWBJ-SJORKVTESA-N 1 2 358.486 2.734 20 30 FFEDLO CCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000101549250 508244871 /nfs/dbraw/zinc/24/48/71/508244871.db2.gz VBWUDDNXJVYYIA-YWZLYKJASA-N 1 2 356.470 2.534 20 30 FFEDLO CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000101549250 508244872 /nfs/dbraw/zinc/24/48/72/508244872.db2.gz VBWUDDNXJVYYIA-YWZLYKJASA-N 1 2 356.470 2.534 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000101555936 508246539 /nfs/dbraw/zinc/24/65/39/508246539.db2.gz XKGNYANFOZLLSP-SFHVURJKSA-N 1 2 361.530 2.690 20 30 FFEDLO CC1CCC(NC(=O)C[NH+]2CCN(Cc3cc(C#N)ccc3F)CC2)CC1 ZINC000102930063 508290192 /nfs/dbraw/zinc/29/01/92/508290192.db2.gz YPMHBCUEHPKIGI-UHFFFAOYSA-N 1 2 372.488 2.510 20 30 FFEDLO N#Cc1cc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)ccc1F ZINC000102954573 508290652 /nfs/dbraw/zinc/29/06/52/508290652.db2.gz LHJOLQSCTYZRHD-IBGZPJMESA-N 1 2 368.412 2.892 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(Oc3ccc(F)cc3F)CC2)cc1 ZINC000115536132 508406257 /nfs/dbraw/zinc/40/62/57/508406257.db2.gz MVAYOVWDCQYGFF-IBGZPJMESA-N 1 2 371.387 2.906 20 30 FFEDLO CCCOc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115596736 508415601 /nfs/dbraw/zinc/41/56/01/508415601.db2.gz NCFHKVYQORNOKJ-LJQANCHMSA-N 1 2 353.422 2.672 20 30 FFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)C(N)=O)cc1 ZINC000115597242 508416092 /nfs/dbraw/zinc/41/60/92/508416092.db2.gz BHHYEKWQSQRGHP-HXUWFJFHSA-N 1 2 363.465 2.650 20 30 FFEDLO CC1CCN(c2ccc(C[NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)cn2)CC1 ZINC000115597237 508416758 /nfs/dbraw/zinc/41/67/58/508416758.db2.gz FKSFVMSTAFLQKC-FQEVSTJZSA-N 1 2 363.465 2.506 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(-c2ccccn2)c1 ZINC000156421781 508419117 /nfs/dbraw/zinc/41/91/17/508419117.db2.gz HSCBSLTURBTXOK-UHFFFAOYSA-N 1 2 350.466 2.796 20 30 FFEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1cccc(-c2ccccn2)c1 ZINC000156421781 508419119 /nfs/dbraw/zinc/41/91/19/508419119.db2.gz HSCBSLTURBTXOK-UHFFFAOYSA-N 1 2 350.466 2.796 20 30 FFEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1cccc(-c2ccccn2)c1 ZINC000156421781 508419120 /nfs/dbraw/zinc/41/91/20/508419120.db2.gz HSCBSLTURBTXOK-UHFFFAOYSA-N 1 2 350.466 2.796 20 30 FFEDLO CCc1cccc(C)c1NC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000115675316 508425065 /nfs/dbraw/zinc/42/50/65/508425065.db2.gz DGGZVIFCEISWHY-UHFFFAOYSA-N 1 2 363.465 2.585 20 30 FFEDLO C=CC[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000156541436 508436248 /nfs/dbraw/zinc/43/62/48/508436248.db2.gz PYCSYBFOHPWFTF-JQFCIGGWSA-N 1 2 351.878 2.976 20 30 FFEDLO C=CC[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000156541436 508436252 /nfs/dbraw/zinc/43/62/52/508436252.db2.gz PYCSYBFOHPWFTF-JQFCIGGWSA-N 1 2 351.878 2.976 20 30 FFEDLO CCN(CC)C(=O)C[NH+]1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000127605391 508475663 /nfs/dbraw/zinc/47/56/63/508475663.db2.gz YSTSQKODMZIAEP-UHFFFAOYSA-N 1 2 368.403 2.567 20 30 FFEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCOC[C@@H]2CC(=O)c2ccccc2)cc1 ZINC000134067663 508489202 /nfs/dbraw/zinc/48/92/02/508489202.db2.gz OFNYXSSXHSMHGL-FPOVZHCZSA-N 1 2 350.418 2.565 20 30 FFEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCOC[C@@H]2CC(=O)c2ccccc2)cc1 ZINC000134067663 508489204 /nfs/dbraw/zinc/48/92/04/508489204.db2.gz OFNYXSSXHSMHGL-FPOVZHCZSA-N 1 2 350.418 2.565 20 30 FFEDLO Cc1cc(CN2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)on1 ZINC000122356917 508521976 /nfs/dbraw/zinc/52/19/76/508521976.db2.gz OTBFZSVXWYMKOA-UHFFFAOYSA-N 1 2 354.454 2.983 20 30 FFEDLO Cc1cc(C[NH+]2CCN(Cc3cccc(OCCCC#N)c3)CC2)on1 ZINC000122356917 508521979 /nfs/dbraw/zinc/52/19/79/508521979.db2.gz OTBFZSVXWYMKOA-UHFFFAOYSA-N 1 2 354.454 2.983 20 30 FFEDLO C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000157634370 508590033 /nfs/dbraw/zinc/59/00/33/508590033.db2.gz VNNKGOVYVNRUMZ-IBGZPJMESA-N 1 2 370.474 2.756 20 30 FFEDLO C[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000157634370 508590034 /nfs/dbraw/zinc/59/00/34/508590034.db2.gz VNNKGOVYVNRUMZ-IBGZPJMESA-N 1 2 370.474 2.756 20 30 FFEDLO C=CCOc1ccc(/C=C/C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1OC ZINC000153511948 508591128 /nfs/dbraw/zinc/59/11/28/508591128.db2.gz UHZHGASOZLWYSR-IQIBNGDESA-N 1 2 355.438 2.922 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1C#N ZINC000157644518 508591658 /nfs/dbraw/zinc/59/16/58/508591658.db2.gz SJWBNGZYDZHFMS-HUUCEWRRSA-N 1 2 360.458 2.576 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000153618809 508609506 /nfs/dbraw/zinc/60/95/06/508609506.db2.gz YOQPNEBRCUIMJI-UHFFFAOYSA-N 1 2 367.371 2.806 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000153618809 508609509 /nfs/dbraw/zinc/60/95/09/508609509.db2.gz YOQPNEBRCUIMJI-UHFFFAOYSA-N 1 2 367.371 2.806 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000128861530 508652230 /nfs/dbraw/zinc/65/22/30/508652230.db2.gz RMKMLMJYQDZGIM-MAUKXSAKSA-N 1 2 367.453 2.914 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000158132870 508661907 /nfs/dbraw/zinc/66/19/07/508661907.db2.gz DXKPGJCPNWXKNX-CQSZACIVSA-N 1 2 372.450 2.505 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000158132870 508661911 /nfs/dbraw/zinc/66/19/11/508661911.db2.gz DXKPGJCPNWXKNX-CQSZACIVSA-N 1 2 372.450 2.505 20 30 FFEDLO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000153852511 508662805 /nfs/dbraw/zinc/66/28/05/508662805.db2.gz WMHWTUHAPPBLAT-AVRDEDQJSA-N 1 2 374.488 2.847 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158146905 508663432 /nfs/dbraw/zinc/66/34/32/508663432.db2.gz BMKUAYHJIMUILB-ZDUSSCGKSA-N 1 2 372.296 2.796 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158146905 508663436 /nfs/dbraw/zinc/66/34/36/508663436.db2.gz BMKUAYHJIMUILB-ZDUSSCGKSA-N 1 2 372.296 2.796 20 30 FFEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCCNc1cccc[nH+]1 ZINC000136201432 508678098 /nfs/dbraw/zinc/67/80/98/508678098.db2.gz RZOCEIHXCUJLKM-IBGZPJMESA-N 1 2 352.438 2.975 20 30 FFEDLO C=CC[N@@H+](C[C@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000136361303 508689157 /nfs/dbraw/zinc/68/91/57/508689157.db2.gz MPBTWOZTIBXYLF-DOMZBBRYSA-N 1 2 364.294 2.702 20 30 FFEDLO C=CC[N@H+](C[C@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000136361303 508689162 /nfs/dbraw/zinc/68/91/62/508689162.db2.gz MPBTWOZTIBXYLF-DOMZBBRYSA-N 1 2 364.294 2.702 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c(C#N)c1C ZINC000129483944 508731280 /nfs/dbraw/zinc/73/12/80/508731280.db2.gz CNBLKGSXQJUESJ-MLGOLLRUSA-N 1 2 357.483 2.955 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c(C#N)c1C ZINC000129483944 508731284 /nfs/dbraw/zinc/73/12/84/508731284.db2.gz CNBLKGSXQJUESJ-MLGOLLRUSA-N 1 2 357.483 2.955 20 30 FFEDLO CN(C(=O)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1)C1(C#N)CCCCC1 ZINC000158718760 508744239 /nfs/dbraw/zinc/74/42/39/508744239.db2.gz HYCVVENAFUMWCI-QFIPXVFZSA-N 1 2 367.493 2.845 20 30 FFEDLO CN(C(=O)C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1)C1(C#N)CCCCC1 ZINC000158718760 508744243 /nfs/dbraw/zinc/74/42/43/508744243.db2.gz HYCVVENAFUMWCI-QFIPXVFZSA-N 1 2 367.493 2.845 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000140952700 508810051 /nfs/dbraw/zinc/81/00/51/508810051.db2.gz CLNHBPFJYMPXEI-IAQYHMDHSA-N 1 2 355.360 2.520 20 30 FFEDLO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000119653485 508837362 /nfs/dbraw/zinc/83/73/62/508837362.db2.gz UQYCGRZGNMSUDU-FQEVSTJZSA-N 1 2 370.474 2.683 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000119653485 508837365 /nfs/dbraw/zinc/83/73/65/508837365.db2.gz UQYCGRZGNMSUDU-FQEVSTJZSA-N 1 2 370.474 2.683 20 30 FFEDLO C=CCOc1cc(OC)ccc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000124584772 508854515 /nfs/dbraw/zinc/85/45/15/508854515.db2.gz IVJMVBQGAHNOSZ-UHFFFAOYSA-N 1 2 353.422 2.617 20 30 FFEDLO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000130849554 508855673 /nfs/dbraw/zinc/85/56/73/508855673.db2.gz RDEFDWSIBIWUAE-HNNXBMFYSA-N 1 2 365.481 2.532 20 30 FFEDLO CCC(C)(C)NC(=O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000130856501 508856436 /nfs/dbraw/zinc/85/64/36/508856436.db2.gz IZRZSDVTBKPCKN-UHFFFAOYSA-N 1 2 365.481 2.533 20 30 FFEDLO CN(C(=O)C[NH+]1CCN(Cc2cc(F)ccc2C#N)CC1)C1CCCCC1 ZINC000159761587 508886458 /nfs/dbraw/zinc/88/64/58/508886458.db2.gz CVQFNSJOEUXNRM-UHFFFAOYSA-N 1 2 372.488 2.606 20 30 FFEDLO Cc1ccccc1[C@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000131413501 508928078 /nfs/dbraw/zinc/92/80/78/508928078.db2.gz CCMDBODRABLVMY-SIKLNZKXSA-N 1 2 366.461 2.874 20 30 FFEDLO Cc1ccccc1[C@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000131413501 508928083 /nfs/dbraw/zinc/92/80/83/508928083.db2.gz CCMDBODRABLVMY-SIKLNZKXSA-N 1 2 366.461 2.874 20 30 FFEDLO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1(C(N)=O)CCCC1 ZINC000120130942 508934448 /nfs/dbraw/zinc/93/44/48/508934448.db2.gz IJMDNGIKYWQZKY-UHFFFAOYSA-N 1 2 374.510 2.557 20 30 FFEDLO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1(C(N)=O)CCCC1 ZINC000120130942 508934451 /nfs/dbraw/zinc/93/44/51/508934451.db2.gz IJMDNGIKYWQZKY-UHFFFAOYSA-N 1 2 374.510 2.557 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(N4CCCCC4=O)CC3)o2)cc1 ZINC000120321404 508972295 /nfs/dbraw/zinc/97/22/95/508972295.db2.gz QGQGWKCBGNGACM-UHFFFAOYSA-N 1 2 365.437 2.585 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000125522807 508994247 /nfs/dbraw/zinc/99/42/47/508994247.db2.gz UQSYVXVKTQKTFJ-DNVCBOLYSA-N 1 2 368.485 2.652 20 30 FFEDLO C=CCCS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000120512833 509010798 /nfs/dbraw/zinc/01/07/98/509010798.db2.gz NFPZYQWJIJLMAL-OAHLLOKOSA-N 1 2 360.882 2.939 20 30 FFEDLO C=CCCS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000120512833 509010801 /nfs/dbraw/zinc/01/08/01/509010801.db2.gz NFPZYQWJIJLMAL-OAHLLOKOSA-N 1 2 360.882 2.939 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCc1c(F)cccc1Cl ZINC000155511001 509017037 /nfs/dbraw/zinc/01/70/37/509017037.db2.gz HSIJJDRJPNTZFI-ZDUSSCGKSA-N 1 2 359.836 2.894 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCc1c(F)cccc1Cl ZINC000155511001 509017039 /nfs/dbraw/zinc/01/70/39/509017039.db2.gz HSIJJDRJPNTZFI-ZDUSSCGKSA-N 1 2 359.836 2.894 20 30 FFEDLO Cc1cccc(Cl)c1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000132654763 509057323 /nfs/dbraw/zinc/05/73/23/509057323.db2.gz UAVDECYTQLWCQS-UHFFFAOYSA-N 1 2 350.850 2.728 20 30 FFEDLO FC(F)(F)Oc1ccc(C#CC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000155832205 509078450 /nfs/dbraw/zinc/07/84/50/509078450.db2.gz MDJVIKCJZBDGHZ-UHFFFAOYSA-N 1 2 362.355 2.549 20 30 FFEDLO C[C@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)[NH+]1CCSCC1 ZINC000151904537 509107864 /nfs/dbraw/zinc/10/78/64/509107864.db2.gz YWJKCNQPLCQLBP-BXUZGUMPSA-N 1 2 368.300 2.567 20 30 FFEDLO Cc1cccc([C@@H](CNC(=O)c2ccc(C#N)cc2C)[NH+]2CCOCC2)c1 ZINC000161495481 509122243 /nfs/dbraw/zinc/12/22/43/509122243.db2.gz JRRMLPVGXMFTGP-OAQYLSRUSA-N 1 2 363.461 2.978 20 30 FFEDLO COc1cc(OC)c(C[NH+]2CCN(c3ccccc3C#N)CC2)c(OC)c1 ZINC000126939431 509149668 /nfs/dbraw/zinc/14/96/68/509149668.db2.gz JMWYHNKRJLPCRN-UHFFFAOYSA-N 1 2 367.449 2.906 20 30 FFEDLO C#CCOc1ccc(F)cc1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000162669663 509277019 /nfs/dbraw/zinc/27/70/19/509277019.db2.gz JIKFCDPBWRMCHZ-UHFFFAOYSA-N 1 2 368.412 2.582 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192086798 509339918 /nfs/dbraw/zinc/33/99/18/509339918.db2.gz JLBZQRTVTRMEJN-SFHVURJKSA-N 1 2 365.452 2.822 20 30 FFEDLO O=S(=O)(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1cccc(F)c1 ZINC000192101410 509345545 /nfs/dbraw/zinc/34/55/45/509345545.db2.gz SDTVBNLCDALREO-LJQANCHMSA-N 1 2 372.465 2.620 20 30 FFEDLO O=S(=O)(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1cccc(F)c1 ZINC000192101410 509345552 /nfs/dbraw/zinc/34/55/52/509345552.db2.gz SDTVBNLCDALREO-LJQANCHMSA-N 1 2 372.465 2.620 20 30 FFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1ccccc1OCC#N ZINC000264223287 509391995 /nfs/dbraw/zinc/39/19/95/509391995.db2.gz WNIDITNXMWKILD-UHFFFAOYSA-N 1 2 352.316 2.620 20 30 FFEDLO C=C1CC[NH+](CC(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1 ZINC000264429257 509522388 /nfs/dbraw/zinc/52/23/88/509522388.db2.gz CDJPSOFWXYYKMW-UHFFFAOYSA-N 1 2 353.422 2.800 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1)C1CC1 ZINC000192463977 509531001 /nfs/dbraw/zinc/53/10/01/509531001.db2.gz GOXWUGBVZJZJON-FQEVSTJZSA-N 1 2 357.429 2.529 20 30 FFEDLO C#CCCCCC(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000179646554 509554672 /nfs/dbraw/zinc/55/46/72/509554672.db2.gz AUSMMPTWTYNEOD-UHFFFAOYSA-N 1 2 352.482 2.789 20 30 FFEDLO N#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000176571248 509589660 /nfs/dbraw/zinc/58/96/60/509589660.db2.gz KNDVFXLQOCMZQR-OAHLLOKOSA-N 1 2 353.382 2.983 20 30 FFEDLO CCO[C@H](C)c1noc(CN2CC[NH+](Cc3ccc(C#N)cc3C)CC2)n1 ZINC000186242383 509596768 /nfs/dbraw/zinc/59/67/68/509596768.db2.gz CUCFDUWJYAPKIC-MRXNPFEDSA-N 1 2 369.469 2.665 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000186283093 509621136 /nfs/dbraw/zinc/62/11/36/509621136.db2.gz VYPSWLOSDWPEIC-GHTZIAJQSA-N 1 2 365.477 2.677 20 30 FFEDLO C[C@H]1CN(c2ccc(CNc3ccc(C#N)c([N+](=O)[O-])c3)c[nH+]2)CCO1 ZINC000267899734 509662522 /nfs/dbraw/zinc/66/25/22/509662522.db2.gz BGFFVVDOLVKGJH-ZDUSSCGKSA-N 1 2 353.382 2.699 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c(OC)c1 ZINC000249724805 509745035 /nfs/dbraw/zinc/74/50/35/509745035.db2.gz PBGDZUMNDWNPIC-MSOLQXFVSA-N 1 2 371.481 2.766 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c(OC)c1 ZINC000249724805 509745043 /nfs/dbraw/zinc/74/50/43/509745043.db2.gz PBGDZUMNDWNPIC-MSOLQXFVSA-N 1 2 371.481 2.766 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000250525442 509799299 /nfs/dbraw/zinc/79/92/99/509799299.db2.gz QACWPOHDJQZDAH-QFBILLFUSA-N 1 2 361.461 2.815 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000250525442 509799305 /nfs/dbraw/zinc/79/93/05/509799305.db2.gz QACWPOHDJQZDAH-QFBILLFUSA-N 1 2 361.461 2.815 20 30 FFEDLO Cc1ccccc1N1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000176987559 509801062 /nfs/dbraw/zinc/80/10/62/509801062.db2.gz PNQOLQZLUOGMIH-GOSISDBHSA-N 1 2 366.490 2.856 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173902305 509843265 /nfs/dbraw/zinc/84/32/65/509843265.db2.gz GYDOEMSQPPUSIA-JKSUJKDBSA-N 1 2 374.510 2.877 20 30 FFEDLO CC(C)c1[nH+]c2c(n1C)CCN([C@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000177060367 509848417 /nfs/dbraw/zinc/84/84/17/509848417.db2.gz GFPQEFBXRSHMGA-INIZCTEOSA-N 1 2 369.494 2.640 20 30 FFEDLO CC[NH+](CC)[C@@H](CNS(=O)(=O)CC1(C#N)CC1)c1ccccc1Cl ZINC000180391219 509900065 /nfs/dbraw/zinc/90/00/65/509900065.db2.gz ATXUKTFGVPKAOD-INIZCTEOSA-N 1 2 369.918 2.946 20 30 FFEDLO N#Cc1cc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)ccc1F ZINC000171087014 509933084 /nfs/dbraw/zinc/93/30/84/509933084.db2.gz KAFNUHUOMLSVKS-INIZCTEOSA-N 1 2 374.441 2.954 20 30 FFEDLO CC(C)(CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000174094667 509945208 /nfs/dbraw/zinc/94/52/08/509945208.db2.gz IGMCTRZBVZTPAB-UHFFFAOYSA-N 1 2 370.375 2.809 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)CSCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245581092 510019947 /nfs/dbraw/zinc/01/99/47/510019947.db2.gz HFVAPDDDMCPPFE-GOEBONIOSA-N 1 2 355.866 2.987 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)CSCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245581092 510019955 /nfs/dbraw/zinc/01/99/55/510019955.db2.gz HFVAPDDDMCPPFE-GOEBONIOSA-N 1 2 355.866 2.987 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000187041376 510023768 /nfs/dbraw/zinc/02/37/68/510023768.db2.gz NWJDZAVJVQUIOM-GOEBONIOSA-N 1 2 361.492 2.545 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000187041376 510023774 /nfs/dbraw/zinc/02/37/74/510023774.db2.gz NWJDZAVJVQUIOM-GOEBONIOSA-N 1 2 361.492 2.545 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000245699457 510093958 /nfs/dbraw/zinc/09/39/58/510093958.db2.gz BZJXCQQJADZVAE-HKUYNNGSSA-N 1 2 366.889 2.811 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000245699457 510093960 /nfs/dbraw/zinc/09/39/60/510093960.db2.gz BZJXCQQJADZVAE-HKUYNNGSSA-N 1 2 366.889 2.811 20 30 FFEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3cc(C#N)cs3)c2)CC1 ZINC000187159289 510094599 /nfs/dbraw/zinc/09/45/99/510094599.db2.gz GVQTWPFXMBBZTF-UHFFFAOYSA-N 1 2 368.462 2.536 20 30 FFEDLO CCOc1cc(C[N@H+](CCC#N)CC2CC2)nc2nc(C(F)(F)F)nn21 ZINC000268888347 510120407 /nfs/dbraw/zinc/12/04/07/510120407.db2.gz DHVXBYZXQRSBNS-UHFFFAOYSA-N 1 2 368.363 2.667 20 30 FFEDLO CCOc1cc(C[N@@H+](CCC#N)CC2CC2)nc2nc(C(F)(F)F)nn21 ZINC000268888347 510120408 /nfs/dbraw/zinc/12/04/08/510120408.db2.gz DHVXBYZXQRSBNS-UHFFFAOYSA-N 1 2 368.363 2.667 20 30 FFEDLO Cc1nc(C[C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)no1 ZINC000245860963 510172979 /nfs/dbraw/zinc/17/29/79/510172979.db2.gz QWGIRWIXGRXHRT-DOMZBBRYSA-N 1 2 371.441 2.741 20 30 FFEDLO Cc1nc(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)no1 ZINC000245860963 510172983 /nfs/dbraw/zinc/17/29/83/510172983.db2.gz QWGIRWIXGRXHRT-DOMZBBRYSA-N 1 2 371.441 2.741 20 30 FFEDLO COc1ccccc1S(=O)(=O)CCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000184177668 510176244 /nfs/dbraw/zinc/17/62/44/510176244.db2.gz FLEZGYVBMXRJRO-UHFFFAOYSA-N 1 2 358.463 2.863 20 30 FFEDLO COc1ccccc1S(=O)(=O)CCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000184177668 510176249 /nfs/dbraw/zinc/17/62/49/510176249.db2.gz FLEZGYVBMXRJRO-UHFFFAOYSA-N 1 2 358.463 2.863 20 30 FFEDLO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)c(F)c1O ZINC000190608789 510238322 /nfs/dbraw/zinc/23/83/22/510238322.db2.gz LYCIPOCMQCMWBC-YVEFUNNKSA-N 1 2 371.387 2.994 20 30 FFEDLO CCS(=O)(=O)CCCCCO[NH+]=C(N)c1cccc(C(F)(F)F)c1 ZINC000190627047 510247755 /nfs/dbraw/zinc/24/77/55/510247755.db2.gz VWQJHONQQBZCNG-UHFFFAOYSA-N 1 2 366.405 2.947 20 30 FFEDLO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)c1 ZINC000187426237 510257946 /nfs/dbraw/zinc/25/79/46/510257946.db2.gz CSIFCTUVUVSTPJ-LBPRGKRZSA-N 1 2 363.870 2.971 20 30 FFEDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000171654965 510285966 /nfs/dbraw/zinc/28/59/66/510285966.db2.gz YJBVRYSAUUNFNW-GFCCVEGCSA-N 1 2 357.483 2.691 20 30 FFEDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000171654965 510285971 /nfs/dbraw/zinc/28/59/71/510285971.db2.gz YJBVRYSAUUNFNW-GFCCVEGCSA-N 1 2 357.483 2.691 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246243390 510385182 /nfs/dbraw/zinc/38/51/82/510385182.db2.gz GIWRZPSPDXXQNA-NVXWUHKLSA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246243390 510385186 /nfs/dbraw/zinc/38/51/86/510385186.db2.gz GIWRZPSPDXXQNA-NVXWUHKLSA-N 1 2 358.804 2.921 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000184606063 510413791 /nfs/dbraw/zinc/41/37/91/510413791.db2.gz GPLJRKYTGUKJRA-UHFFFAOYSA-N 1 2 371.441 2.758 20 30 FFEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)cs1 ZINC000178144656 510455631 /nfs/dbraw/zinc/45/56/31/510455631.db2.gz DRPIJZWRSCZLDD-STQMWFEESA-N 1 2 360.483 2.591 20 30 FFEDLO N#Cc1cccc(OCC[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000246410592 510473727 /nfs/dbraw/zinc/47/37/27/510473727.db2.gz LVOAYRTWWLHXDO-FUHWJXTLSA-N 1 2 358.463 2.823 20 30 FFEDLO N#Cc1cccc(OCC[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000246410592 510473732 /nfs/dbraw/zinc/47/37/32/510473732.db2.gz LVOAYRTWWLHXDO-FUHWJXTLSA-N 1 2 358.463 2.823 20 30 FFEDLO CS[C@@H]1CCCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000269700108 510518130 /nfs/dbraw/zinc/51/81/30/510518130.db2.gz YHRMUKSUNJIUTR-HIFRSBDPSA-N 1 2 370.478 2.729 20 30 FFEDLO CS[C@@H]1CCCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000269700108 510518142 /nfs/dbraw/zinc/51/81/42/510518142.db2.gz YHRMUKSUNJIUTR-HIFRSBDPSA-N 1 2 370.478 2.729 20 30 FFEDLO C=CCc1ccc(OCC(=O)NCc2ccn3cc[nH+]c3c2)c(OC)c1 ZINC000178357569 510563947 /nfs/dbraw/zinc/56/39/47/510563947.db2.gz CIWVUGQDWSAQKY-UHFFFAOYSA-N 1 2 351.406 2.767 20 30 FFEDLO N#Cc1csc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000178462926 510616583 /nfs/dbraw/zinc/61/65/83/510616583.db2.gz HVHTWIDPIGGYEB-UHFFFAOYSA-N 1 2 374.897 2.825 20 30 FFEDLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000178635111 510698195 /nfs/dbraw/zinc/69/81/95/510698195.db2.gz ZDJSYLLCPDFMIE-INIZCTEOSA-N 1 2 352.356 2.680 20 30 FFEDLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000178635111 510698199 /nfs/dbraw/zinc/69/81/99/510698199.db2.gz ZDJSYLLCPDFMIE-INIZCTEOSA-N 1 2 352.356 2.680 20 30 FFEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188470199 510783639 /nfs/dbraw/zinc/78/36/39/510783639.db2.gz RPMNYHDMAYFJSG-UHFFFAOYSA-N 1 2 351.406 2.657 20 30 FFEDLO Cc1ccsc1-c1nc(=NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)s[nH]1 ZINC000329947718 510883997 /nfs/dbraw/zinc/88/39/97/510883997.db2.gz YPBREUCDTCORJY-NEPJUHHUSA-N 1 2 363.512 2.950 20 30 FFEDLO Cc1ccsc1-c1nc(=NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)s[nH]1 ZINC000329947718 510884001 /nfs/dbraw/zinc/88/40/01/510884001.db2.gz YPBREUCDTCORJY-NEPJUHHUSA-N 1 2 363.512 2.950 20 30 FFEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)N[C@H]1CCCC1(C)C ZINC000329950250 510884126 /nfs/dbraw/zinc/88/41/26/510884126.db2.gz CCQANYOLWKIBFR-ULQDDVLXSA-N 1 2 365.497 2.757 20 30 FFEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)N[C@H]1CCCC1(C)C ZINC000329950250 510884129 /nfs/dbraw/zinc/88/41/29/510884129.db2.gz CCQANYOLWKIBFR-ULQDDVLXSA-N 1 2 365.497 2.757 20 30 FFEDLO C[C@@H]1CCCC[C@H]1CNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000329962391 510887901 /nfs/dbraw/zinc/88/79/01/510887901.db2.gz SRLZSMQJQHHWAT-UBDQQSCGSA-N 1 2 365.497 2.662 20 30 FFEDLO C[C@@H]1CCCC[C@H]1CNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000329962391 510887910 /nfs/dbraw/zinc/88/79/10/510887910.db2.gz SRLZSMQJQHHWAT-UBDQQSCGSA-N 1 2 365.497 2.662 20 30 FFEDLO CCN1CCN(C(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329963564 510888116 /nfs/dbraw/zinc/88/81/16/510888116.db2.gz PYXCPTIOWFTIKS-BRWVUGGUSA-N 1 2 363.506 2.596 20 30 FFEDLO CCC1(CC)Oc2ccc(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)cc2O1 ZINC000329962266 510888323 /nfs/dbraw/zinc/88/83/23/510888323.db2.gz SADUIYRKNPEDOP-PBHICJAKSA-N 1 2 361.442 2.534 20 30 FFEDLO CCC1(CC)Oc2ccc(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)cc2O1 ZINC000329962266 510888327 /nfs/dbraw/zinc/88/83/27/510888327.db2.gz SADUIYRKNPEDOP-PBHICJAKSA-N 1 2 361.442 2.534 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@@H]2CCCOc3ccccc32)CCN1C ZINC000329961902 510888831 /nfs/dbraw/zinc/88/88/31/510888831.db2.gz OXDJCUUGBDZNRA-SJORKVTESA-N 1 2 369.469 2.537 20 30 FFEDLO CC[C@@H]1CCC[C@@H]1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000329979268 510892869 /nfs/dbraw/zinc/89/28/69/510892869.db2.gz JFPDHUNLHRMEKM-OWSLCNJRSA-N 1 2 365.497 2.757 20 30 FFEDLO CC[C@@H]1CCC[C@@H]1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000329979268 510892873 /nfs/dbraw/zinc/89/28/73/510892873.db2.gz JFPDHUNLHRMEKM-OWSLCNJRSA-N 1 2 365.497 2.757 20 30 FFEDLO C[N@@H+](Cc1nc(-c2cccs2)no1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000285442882 510908890 /nfs/dbraw/zinc/90/88/90/510908890.db2.gz XSRWTNUNYVZSKT-CQSZACIVSA-N 1 2 370.434 2.541 20 30 FFEDLO C[N@H+](Cc1nc(-c2cccs2)no1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000285442882 510908891 /nfs/dbraw/zinc/90/88/91/510908891.db2.gz XSRWTNUNYVZSKT-CQSZACIVSA-N 1 2 370.434 2.541 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NC[C@]1(C)CCCC[C@@H]1O)C2 ZINC000330079779 510912353 /nfs/dbraw/zinc/91/23/53/510912353.db2.gz OOXXTTGFCQMFHU-UVFQYZLESA-N 1 2 362.518 2.940 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+]C[C@]1(C)CCCC[C@@H]1O)C2 ZINC000330079779 510912358 /nfs/dbraw/zinc/91/23/58/510912358.db2.gz OOXXTTGFCQMFHU-UVFQYZLESA-N 1 2 362.518 2.940 20 30 FFEDLO O=C(NC[C@H]1CCC2(CCCCC2)O1)N1CCN(c2cccc[nH+]2)CC1 ZINC000330117117 510919071 /nfs/dbraw/zinc/91/90/71/510919071.db2.gz WMKOBNGKYFXSEJ-QGZVFWFLSA-N 1 2 358.486 3.000 20 30 FFEDLO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCCSC2)[NH+]2CCOCC2)s1 ZINC000330137775 510923329 /nfs/dbraw/zinc/92/33/29/510923329.db2.gz VCAQEQBKFHLUKG-CABCVRRESA-N 1 2 369.556 2.829 20 30 FFEDLO O=C(C[N@@H+]1CCS[C@H]2COCC[C@@H]21)Nc1ccc2c(c1)OCCCO2 ZINC000330189433 510933519 /nfs/dbraw/zinc/93/35/19/510933519.db2.gz VHBUNGOVSAJCQB-YOEHRIQHSA-N 1 2 364.467 2.642 20 30 FFEDLO O=C(C[N@H+]1CCS[C@H]2COCC[C@@H]21)Nc1ccc2c(c1)OCCCO2 ZINC000330189433 510933525 /nfs/dbraw/zinc/93/35/25/510933525.db2.gz VHBUNGOVSAJCQB-YOEHRIQHSA-N 1 2 364.467 2.642 20 30 FFEDLO O=C(C[NH+]1CCC(Oc2cnccn2)CC1)Nc1nc2c(s1)CCC2 ZINC000330193116 510934076 /nfs/dbraw/zinc/93/40/76/510934076.db2.gz OCCNAVSCNOVBOJ-UHFFFAOYSA-N 1 2 359.455 2.553 20 30 FFEDLO C[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@]1=O ZINC000277649183 510968947 /nfs/dbraw/zinc/96/89/47/510968947.db2.gz OCTOGZJNDWSKFB-PUAOIOHZSA-N 1 2 356.495 2.807 20 30 FFEDLO C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@]1=O ZINC000277649183 510968952 /nfs/dbraw/zinc/96/89/52/510968952.db2.gz OCTOGZJNDWSKFB-PUAOIOHZSA-N 1 2 356.495 2.807 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F ZINC000330539606 510994822 /nfs/dbraw/zinc/99/48/22/510994822.db2.gz LTYGSOJWUKDZQU-LLVKDONJSA-N 1 2 362.396 2.682 20 30 FFEDLO CC(C)c1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000278690763 511002668 /nfs/dbraw/zinc/00/26/68/511002668.db2.gz SGDKJTIVRWTNHT-AEFFLSMTSA-N 1 2 361.511 2.809 20 30 FFEDLO CC[C@H](C)C[C@H](C)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330898222 511027546 /nfs/dbraw/zinc/02/75/46/511027546.db2.gz UVNWHUMBNISBON-GJZGRUSLSA-N 1 2 361.490 2.620 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)[C@]2(C#N)CC23CCCC3)[NH+]2CCOCC2)c1 ZINC000294432894 511063509 /nfs/dbraw/zinc/06/35/09/511063509.db2.gz KGGNUSUWKNGNFZ-SIKLNZKXSA-N 1 2 367.493 2.959 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1cccc(Br)c1 ZINC000331721987 511071914 /nfs/dbraw/zinc/07/19/14/511071914.db2.gz JTEBSEYXBLAWIV-OCCSQVGLSA-N 1 2 359.227 2.973 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21)c1cccc(Br)c1 ZINC000331721987 511071916 /nfs/dbraw/zinc/07/19/16/511071916.db2.gz JTEBSEYXBLAWIV-OCCSQVGLSA-N 1 2 359.227 2.973 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)n1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000364791642 511084230 /nfs/dbraw/zinc/08/42/30/511084230.db2.gz QZGQCFNXNTXARE-OXJNMPFZSA-N 1 2 374.448 2.728 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)n1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000364791642 511084233 /nfs/dbraw/zinc/08/42/33/511084233.db2.gz QZGQCFNXNTXARE-OXJNMPFZSA-N 1 2 374.448 2.728 20 30 FFEDLO N#C[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC12CCCC2 ZINC000294515822 511090553 /nfs/dbraw/zinc/09/05/53/511090553.db2.gz STPVNSJSPOHMOC-OAQYLSRUSA-N 1 2 353.466 2.609 20 30 FFEDLO N#Cc1ccc(/C=C/C(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000298094892 511172047 /nfs/dbraw/zinc/17/20/47/511172047.db2.gz RQTCUXIXKPUFIG-LKGOPFMKSA-N 1 2 367.474 2.823 20 30 FFEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000298246775 511222221 /nfs/dbraw/zinc/22/22/21/511222221.db2.gz DBJHLHBRIGQDCP-INIZCTEOSA-N 1 2 371.441 2.572 20 30 FFEDLO N#CCc1ccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000298476460 511297829 /nfs/dbraw/zinc/29/78/29/511297829.db2.gz UDYHFCKYZRITTN-HXUWFJFHSA-N 1 2 364.449 2.775 20 30 FFEDLO N#CCc1ccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000298476460 511297833 /nfs/dbraw/zinc/29/78/33/511297833.db2.gz UDYHFCKYZRITTN-HXUWFJFHSA-N 1 2 364.449 2.775 20 30 FFEDLO CC(=O)Nc1ccccc1C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000291697383 511302280 /nfs/dbraw/zinc/30/22/80/511302280.db2.gz YQSBHMLPWLDGFX-UHFFFAOYSA-N 1 2 355.467 2.604 20 30 FFEDLO CO[C@@H]1[C@H](C)[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1(C)C ZINC000271798870 511328156 /nfs/dbraw/zinc/32/81/56/511328156.db2.gz KQZTXYYUISJXFU-NXOUGTEYSA-N 1 2 368.481 2.706 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH+]2CCC(CO)CC2)c1C#N ZINC000298783934 511409274 /nfs/dbraw/zinc/40/92/74/511409274.db2.gz XBULNQWSEDJHOQ-UHFFFAOYSA-N 1 2 366.465 2.609 20 30 FFEDLO C=C(C)Cn1c(-c2ccccn2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000283686277 511462081 /nfs/dbraw/zinc/46/20/81/511462081.db2.gz SNARHVQPZSMRSU-UHFFFAOYSA-N 1 2 361.453 2.638 20 30 FFEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292172283 511493548 /nfs/dbraw/zinc/49/35/48/511493548.db2.gz LZAJTBCDDHWDNQ-WMLDXEAASA-N 1 2 368.412 2.881 20 30 FFEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292172283 511493553 /nfs/dbraw/zinc/49/35/53/511493553.db2.gz LZAJTBCDDHWDNQ-WMLDXEAASA-N 1 2 368.412 2.881 20 30 FFEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000273398819 511524411 /nfs/dbraw/zinc/52/44/11/511524411.db2.gz QHOSCCHZJVFBBD-AWEZNQCLSA-N 1 2 356.426 2.596 20 30 FFEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCCOCC2)c1C#N ZINC000363436344 511552099 /nfs/dbraw/zinc/55/20/99/511552099.db2.gz IUDYICFVUYYKAX-UHFFFAOYSA-N 1 2 366.465 2.686 20 30 FFEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCCOCC2)c1C#N ZINC000363436344 511552105 /nfs/dbraw/zinc/55/21/05/511552105.db2.gz IUDYICFVUYYKAX-UHFFFAOYSA-N 1 2 366.465 2.686 20 30 FFEDLO Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292379481 511574032 /nfs/dbraw/zinc/57/40/32/511574032.db2.gz ZBCZDRSUJDADIZ-QGZVFWFLSA-N 1 2 350.422 2.662 20 30 FFEDLO Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292379481 511574037 /nfs/dbraw/zinc/57/40/37/511574037.db2.gz ZBCZDRSUJDADIZ-QGZVFWFLSA-N 1 2 350.422 2.662 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273757582 511598995 /nfs/dbraw/zinc/59/89/95/511598995.db2.gz XVGBQGZOHOBWCW-QWHCGFSZSA-N 1 2 373.482 2.841 20 30 FFEDLO COC(=O)c1cc([C@H](C)[NH+]2CCN(c3ncccc3C#N)CC2)oc1C ZINC000292587813 511652310 /nfs/dbraw/zinc/65/23/10/511652310.db2.gz ZYUXYPYXYJCZGU-ZDUSSCGKSA-N 1 2 354.410 2.525 20 30 FFEDLO C#CCNC(=O)c1ccc(NC2CC[NH+](c3ccc(OC)cc3)CC2)nc1 ZINC000301268585 511693352 /nfs/dbraw/zinc/69/33/52/511693352.db2.gz XELGRTIDMSBRDW-UHFFFAOYSA-N 1 2 364.449 2.534 20 30 FFEDLO Cc1cn2c([nH+]1)CN(CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)CC2 ZINC000363689604 511704976 /nfs/dbraw/zinc/70/49/76/511704976.db2.gz OEOWAMHHTCEQHL-UHFFFAOYSA-N 1 2 371.872 2.916 20 30 FFEDLO CCOC(=O)c1csc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000292772935 511713845 /nfs/dbraw/zinc/71/38/45/511713845.db2.gz YOPUQDNVHAMGOV-UHFFFAOYSA-N 1 2 370.478 2.904 20 30 FFEDLO CCOC(=O)c1csc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000292772935 511713849 /nfs/dbraw/zinc/71/38/49/511713849.db2.gz YOPUQDNVHAMGOV-UHFFFAOYSA-N 1 2 370.478 2.904 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)ccc1OC ZINC000274085773 511715802 /nfs/dbraw/zinc/71/58/02/511715802.db2.gz HVCZZLQECNVJEW-INIZCTEOSA-N 1 2 353.484 2.659 20 30 FFEDLO C=C(C)COc1cc(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)ccc1OC ZINC000274085773 511715809 /nfs/dbraw/zinc/71/58/09/511715809.db2.gz HVCZZLQECNVJEW-INIZCTEOSA-N 1 2 353.484 2.659 20 30 FFEDLO COCc1ncsc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000284466816 511735221 /nfs/dbraw/zinc/73/52/21/511735221.db2.gz JRAOJNKBVGRUCU-UHFFFAOYSA-N 1 2 370.478 2.509 20 30 FFEDLO COCc1ncsc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000284466816 511735224 /nfs/dbraw/zinc/73/52/24/511735224.db2.gz JRAOJNKBVGRUCU-UHFFFAOYSA-N 1 2 370.478 2.509 20 30 FFEDLO CC(C)(C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCOCC1 ZINC000281201300 511757047 /nfs/dbraw/zinc/75/70/47/511757047.db2.gz RZRBCVALUUUQMV-UHFFFAOYSA-N 1 2 355.482 2.655 20 30 FFEDLO NC(=[NH+]OCC(=O)Nc1ccccc1Oc1ccccc1)[C@@H]1CCCO1 ZINC000284623743 511798631 /nfs/dbraw/zinc/79/86/31/511798631.db2.gz ZTCMPIZVAAPING-KRWDZBQOSA-N 1 2 355.394 2.885 20 30 FFEDLO Cc1cccc([C@@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)[NH+]2CCOCC2)c1 ZINC000296614721 511820167 /nfs/dbraw/zinc/82/01/67/511820167.db2.gz PRKVYRHDIPLHCI-YSIASYRMSA-N 1 2 370.497 2.750 20 30 FFEDLO N#C[C@@H]1N(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCC[C@@]12CCCCO2 ZINC000366185640 511887355 /nfs/dbraw/zinc/88/73/55/511887355.db2.gz SHSUMIBRXZYFLA-FPOVZHCZSA-N 1 2 364.449 2.999 20 30 FFEDLO O=C(Nc1ccccc1O)C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000328742489 511924104 /nfs/dbraw/zinc/92/41/04/511924104.db2.gz JNSVRVPJJVDYJQ-HNNXBMFYSA-N 1 2 368.437 2.678 20 30 FFEDLO O=C(NC1CCC(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1)C1CC1 ZINC000328787787 511930832 /nfs/dbraw/zinc/93/08/32/511930832.db2.gz JRHKOFZBNAUZIV-UHFFFAOYSA-N 1 2 370.497 2.651 20 30 FFEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CCc3n[nH]nc3C2)C[C@@H](C)O1 ZINC000328792635 511932597 /nfs/dbraw/zinc/93/25/97/511932597.db2.gz RMASLSRMVQYTEV-RBSFLKMASA-N 1 2 369.469 2.807 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@@H](CO)C3)n2)C1 ZINC000328873243 511944264 /nfs/dbraw/zinc/94/42/64/511944264.db2.gz YVHPRNMSPZJVHB-ZIAGYGMSSA-N 1 2 352.504 2.625 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@@H](CO)C3)n2)C1 ZINC000328873243 511944267 /nfs/dbraw/zinc/94/42/67/511944267.db2.gz YVHPRNMSPZJVHB-ZIAGYGMSSA-N 1 2 352.504 2.625 20 30 FFEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000328924083 511951475 /nfs/dbraw/zinc/95/14/75/511951475.db2.gz DHWUPNIONDLKDY-DTWKUNHWSA-N 1 2 353.348 2.771 20 30 FFEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000328924083 511951476 /nfs/dbraw/zinc/95/14/76/511951476.db2.gz DHWUPNIONDLKDY-DTWKUNHWSA-N 1 2 353.348 2.771 20 30 FFEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1CCOc2ccccc21 ZINC000328930710 511952683 /nfs/dbraw/zinc/95/26/83/511952683.db2.gz ZFULTUJJMDOLAC-QFBILLFUSA-N 1 2 362.495 2.717 20 30 FFEDLO C[C@@H]1C[C@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCC1=O ZINC000328945706 511954700 /nfs/dbraw/zinc/95/47/00/511954700.db2.gz VFDXMCKGQVQPRZ-HZPDHXFCSA-N 1 2 361.461 2.910 20 30 FFEDLO COc1cc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)ncc1Br ZINC000328955765 511956386 /nfs/dbraw/zinc/95/63/86/511956386.db2.gz YZHZBYZZIKBAJP-VIFPVBQESA-N 1 2 351.204 2.900 20 30 FFEDLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)N[C@@H](c1ccccc1)C1CC1 ZINC000328960810 511957312 /nfs/dbraw/zinc/95/73/12/511957312.db2.gz KLCYIYREURNPHA-JTJHWIPRSA-N 1 2 358.482 2.956 20 30 FFEDLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)N[C@@H](c1ccccc1)C1CC1 ZINC000328960810 511957321 /nfs/dbraw/zinc/95/73/21/511957321.db2.gz KLCYIYREURNPHA-JTJHWIPRSA-N 1 2 358.482 2.956 20 30 FFEDLO CC[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)O1 ZINC000328989308 511962544 /nfs/dbraw/zinc/96/25/44/511962544.db2.gz CQCZLHRRCCRGRY-AHEZYBDSSA-N 1 2 360.458 2.529 20 30 FFEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000328997988 511964671 /nfs/dbraw/zinc/96/46/71/511964671.db2.gz FZWCTPQSZHWINC-YESZJQIVSA-N 1 2 358.442 2.704 20 30 FFEDLO CC(C)(CC#N)CS(=O)(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296960330 511966422 /nfs/dbraw/zinc/96/64/22/511966422.db2.gz HPGUMXJJOICDNQ-UHFFFAOYSA-N 1 2 366.874 2.885 20 30 FFEDLO C[C@H](Sc1nncn1C)C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329252814 512015269 /nfs/dbraw/zinc/01/52/69/512015269.db2.gz CBDWLGGVYXLDIU-NWDGAFQWSA-N 1 2 362.503 2.761 20 30 FFEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CC(=O)N[C@H]1CCOc2ccccc21 ZINC000329254623 512015362 /nfs/dbraw/zinc/01/53/62/512015362.db2.gz ZWSARNNAQBRYAV-KRWDZBQOSA-N 1 2 371.481 2.800 20 30 FFEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CC(=O)N[C@H]1CCOc2ccccc21 ZINC000329254623 512015365 /nfs/dbraw/zinc/01/53/65/512015365.db2.gz ZWSARNNAQBRYAV-KRWDZBQOSA-N 1 2 371.481 2.800 20 30 FFEDLO O=C(N[C@H]1CCN(c2ncccc2Cl)C1)C1([NH+]2CCOCC2)CCC1 ZINC000329263083 512016048 /nfs/dbraw/zinc/01/60/48/512016048.db2.gz BPEWZOOSMBZGJH-AWEZNQCLSA-N 1 2 364.877 2.525 20 30 FFEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCC[C@@H](O)c3ccccc3)cn2)n1 ZINC000285148999 512017648 /nfs/dbraw/zinc/01/76/48/512017648.db2.gz LYINMVFGVKIABV-GOSISDBHSA-N 1 2 365.437 2.645 20 30 FFEDLO CC[C@@H]1CCCCN1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329344943 512030647 /nfs/dbraw/zinc/03/06/47/512030647.db2.gz QTHRCZZRECDNIF-IDHHARJASA-N 1 2 373.501 2.793 20 30 FFEDLO C[C@H](NC(=O)N1Cc2ccccc2OC(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000329352157 512032221 /nfs/dbraw/zinc/03/22/21/512032221.db2.gz XMOLTFXUUIIRCU-HOTGVXAUSA-N 1 2 361.486 2.683 20 30 FFEDLO O=S(=O)(C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1)N1CCCC1 ZINC000281976339 512033098 /nfs/dbraw/zinc/03/30/98/512033098.db2.gz BTYDCIBNJOKCLV-UHFFFAOYSA-N 1 2 366.914 2.582 20 30 FFEDLO C[C@H]1C[C@@H](C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CC(=O)N1 ZINC000329462092 512052169 /nfs/dbraw/zinc/05/21/69/512052169.db2.gz SRZJFHTUMHVOKJ-NWDGAFQWSA-N 1 2 357.414 2.743 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](Cc2nc3ccccc3c(=O)[nH]2)[C@H](C)CC)C1=O ZINC000282031594 512052719 /nfs/dbraw/zinc/05/27/19/512052719.db2.gz QDGNUVNTPLNZLW-PBHICJAKSA-N 1 2 354.454 2.723 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](Cc2nc3ccccc3c(=O)[nH]2)[C@H](C)CC)C1=O ZINC000282031594 512052726 /nfs/dbraw/zinc/05/27/26/512052726.db2.gz QDGNUVNTPLNZLW-PBHICJAKSA-N 1 2 354.454 2.723 20 30 FFEDLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CCC[C@H]1CO ZINC000329494910 512057382 /nfs/dbraw/zinc/05/73/82/512057382.db2.gz DILZCVLTVAGXJN-XJKSGUPXSA-N 1 2 369.868 2.987 20 30 FFEDLO O=C(NCc1cccc(N2CCC2=O)c1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329532388 512065218 /nfs/dbraw/zinc/06/52/18/512065218.db2.gz XDRLXZBMUQSCSM-SFHVURJKSA-N 1 2 357.454 2.523 20 30 FFEDLO O=C(NCc1cccc(N2CCC2=O)c1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329532388 512065220 /nfs/dbraw/zinc/06/52/20/512065220.db2.gz XDRLXZBMUQSCSM-SFHVURJKSA-N 1 2 357.454 2.523 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000329586715 512074538 /nfs/dbraw/zinc/07/45/38/512074538.db2.gz YNEYVUIFISXKPW-SQNIBIBYSA-N 1 2 365.518 2.577 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nc3cc(Br)ccc3o2)C1=O ZINC000285321526 512076111 /nfs/dbraw/zinc/07/61/11/512076111.db2.gz NRYKVMFNFCTNME-ZDUSSCGKSA-N 1 2 364.243 2.809 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nc3cc(Br)ccc3o2)C1=O ZINC000285321526 512076117 /nfs/dbraw/zinc/07/61/17/512076117.db2.gz NRYKVMFNFCTNME-ZDUSSCGKSA-N 1 2 364.243 2.809 20 30 FFEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCO[C@H](C2CCCCC2)C1 ZINC000329695248 512087472 /nfs/dbraw/zinc/08/74/72/512087472.db2.gz XKIKVVPFWIULTR-MSOLQXFVSA-N 1 2 358.486 2.855 20 30 FFEDLO O=C(Nc1csc(-c2ccccn2)n1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329832234 512102523 /nfs/dbraw/zinc/10/25/23/512102523.db2.gz KIYZDSQHUBISHD-AWEZNQCLSA-N 1 2 373.482 2.547 20 30 FFEDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329836730 512103074 /nfs/dbraw/zinc/10/30/74/512103074.db2.gz VFLYVEFWECNEJV-LZLYRXPVSA-N 1 2 358.486 2.891 20 30 FFEDLO CCN1CCN(C(=O)Nc2cccc3ccn(C)c32)C[C@H]1c1[nH]cc[nH+]1 ZINC000329893836 512105835 /nfs/dbraw/zinc/10/58/35/512105835.db2.gz AZZXIOUCBZXIPS-INIZCTEOSA-N 1 2 352.442 2.826 20 30 FFEDLO C[C@@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000411134460 512483874 /nfs/dbraw/zinc/48/38/74/512483874.db2.gz FRYPVBQYQKWGMK-INIZCTEOSA-N 1 2 363.527 2.983 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000374052315 512641079 /nfs/dbraw/zinc/64/10/79/512641079.db2.gz VDYLJBPXKQSETA-IBGZPJMESA-N 1 2 371.872 2.913 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000374052315 512641080 /nfs/dbraw/zinc/64/10/80/512641080.db2.gz VDYLJBPXKQSETA-IBGZPJMESA-N 1 2 371.872 2.913 20 30 FFEDLO CC[C@H](C)[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)OC ZINC000411534093 512678289 /nfs/dbraw/zinc/67/82/89/512678289.db2.gz NPCSGDBBMLDWFV-MEDUHNTESA-N 1 2 351.834 2.718 20 30 FFEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000376275289 512745281 /nfs/dbraw/zinc/74/52/81/512745281.db2.gz OXLJBJMCMPMJEJ-IBGZPJMESA-N 1 2 359.433 2.701 20 30 FFEDLO Cc1cn2c([nH+]1)CN(C(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC2 ZINC000376287679 512750639 /nfs/dbraw/zinc/75/06/39/512750639.db2.gz VOUMQBCSOHUYMR-UHFFFAOYSA-N 1 2 362.355 2.787 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000374329389 512771705 /nfs/dbraw/zinc/77/17/05/512771705.db2.gz FFNWTKWKANNXLZ-QGZVFWFLSA-N 1 2 352.438 2.857 20 30 FFEDLO N#Cc1ccc2[nH+]cc(CN3CC(n4cc(-c5ccccc5)nn4)C3)n2c1 ZINC000378537006 512813060 /nfs/dbraw/zinc/81/30/60/512813060.db2.gz VLTVQIFGJPTIQS-UHFFFAOYSA-N 1 2 355.405 2.521 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411872422 512852746 /nfs/dbraw/zinc/85/27/46/512852746.db2.gz JSVBAEPZJRSZHB-OXJNMPFZSA-N 1 2 371.481 2.831 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411872422 512852751 /nfs/dbraw/zinc/85/27/51/512852751.db2.gz JSVBAEPZJRSZHB-OXJNMPFZSA-N 1 2 371.481 2.831 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411947798 512884561 /nfs/dbraw/zinc/88/45/61/512884561.db2.gz PKMHPBFPRATWLV-AEFFLSMTSA-N 1 2 355.825 2.958 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411947798 512884567 /nfs/dbraw/zinc/88/45/67/512884567.db2.gz PKMHPBFPRATWLV-AEFFLSMTSA-N 1 2 355.825 2.958 20 30 FFEDLO CC(C)n1nccc1NC(=O)[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376597094 512891643 /nfs/dbraw/zinc/89/16/43/512891643.db2.gz YRKKQYSSZQGHAJ-MRXNPFEDSA-N 1 2 366.469 2.743 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412043452 512927325 /nfs/dbraw/zinc/92/73/25/512927325.db2.gz VBAFHZKBTWCNHG-BFHYXJOUSA-N 1 2 361.511 2.918 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412043452 512927328 /nfs/dbraw/zinc/92/73/28/512927328.db2.gz VBAFHZKBTWCNHG-BFHYXJOUSA-N 1 2 361.511 2.918 20 30 FFEDLO C[C@H]1CC(=O)CC[C@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374896063 513059857 /nfs/dbraw/zinc/05/98/57/513059857.db2.gz OCGBYMDMZCHEHQ-QFBILLFUSA-N 1 2 353.466 2.666 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)c(Cl)n1)c1cccc(F)c1 ZINC000374993311 513100737 /nfs/dbraw/zinc/10/07/37/513100737.db2.gz FPVNTBYXUQUQLM-HNNXBMFYSA-N 1 2 369.787 2.999 20 30 FFEDLO CCOC(=O)c1c(NC(=O)NCc2c[nH+]c(C)cc2C)c(C#N)cn1CC ZINC000421181636 513140047 /nfs/dbraw/zinc/14/00/47/513140047.db2.gz JENKXYGMWBFUEO-UHFFFAOYSA-N 1 2 369.425 2.890 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(Br)cc2C#N)C1 ZINC000450368498 513162950 /nfs/dbraw/zinc/16/29/50/513162950.db2.gz HNRQPJMMINUJNY-LLVKDONJSA-N 1 2 359.227 2.684 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H](C)[C@H](C)O1 ZINC000446075529 513179565 /nfs/dbraw/zinc/17/95/65/513179565.db2.gz ZFSSVTKTSSDCIT-KFWWJZLASA-N 1 2 368.399 2.671 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H](C)[C@H](C)O1 ZINC000446075529 513179572 /nfs/dbraw/zinc/17/95/72/513179572.db2.gz ZFSSVTKTSSDCIT-KFWWJZLASA-N 1 2 368.399 2.671 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)Cc1occc1C ZINC000429359551 513350857 /nfs/dbraw/zinc/35/08/57/513350857.db2.gz BDRURWLQMNSLHW-UHFFFAOYSA-N 1 2 372.469 2.985 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)Cc1occc1C ZINC000429359551 513350862 /nfs/dbraw/zinc/35/08/62/513350862.db2.gz BDRURWLQMNSLHW-UHFFFAOYSA-N 1 2 372.469 2.985 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000425200776 513449442 /nfs/dbraw/zinc/44/94/42/513449442.db2.gz LVMUMFFZQWLGEU-QGZVFWFLSA-N 1 2 352.394 2.779 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000425200776 513449450 /nfs/dbraw/zinc/44/94/50/513449450.db2.gz LVMUMFFZQWLGEU-QGZVFWFLSA-N 1 2 352.394 2.779 20 30 FFEDLO Cc1cc(N2CCC(C(=O)NCCc3cccs3)CC2)c(C#N)c[nH+]1 ZINC000425206847 513451924 /nfs/dbraw/zinc/45/19/24/513451924.db2.gz DFYOIQCRJKDNKH-UHFFFAOYSA-N 1 2 354.479 2.899 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000425208967 513453933 /nfs/dbraw/zinc/45/39/33/513453933.db2.gz OBYOJZHWJBKJBL-SFHVURJKSA-N 1 2 352.394 2.952 20 30 FFEDLO COc1cc(OC)cc(N2CC[C@H](CNc3cc(C)[nH+]cc3C#N)C2)c1 ZINC000425236885 513466232 /nfs/dbraw/zinc/46/62/32/513466232.db2.gz KNYPDVWSPJNMHZ-OAHLLOKOSA-N 1 2 352.438 2.639 20 30 FFEDLO C=CCOc1ccccc1CNc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413150385 513484250 /nfs/dbraw/zinc/48/42/50/513484250.db2.gz WNMUJUBIOLNIJO-DOTOQJQBSA-N 1 2 354.454 2.861 20 30 FFEDLO C=CCOc1ccccc1CNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413150385 513484257 /nfs/dbraw/zinc/48/42/57/513484257.db2.gz WNMUJUBIOLNIJO-DOTOQJQBSA-N 1 2 354.454 2.861 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCC2(CC#N)CC2)[C@H](C)C1 ZINC000441104769 513486343 /nfs/dbraw/zinc/48/63/43/513486343.db2.gz TTWGYONPRLEWQU-QGZVFWFLSA-N 1 2 370.497 2.995 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCC2(CC#N)CC2)[C@H](C)C1 ZINC000441104769 513486348 /nfs/dbraw/zinc/48/63/48/513486348.db2.gz TTWGYONPRLEWQU-QGZVFWFLSA-N 1 2 370.497 2.995 20 30 FFEDLO CC(C)c1ccc2ncc(C#N)c(NCC3([NH+]4CCOCC4)CC3)c2c1 ZINC000447690708 513544822 /nfs/dbraw/zinc/54/48/22/513544822.db2.gz ZQAOHAKYCYBSIL-UHFFFAOYSA-N 1 2 350.466 2.928 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-c2ccccn2)nc1 ZINC000425417397 513553261 /nfs/dbraw/zinc/55/32/61/513553261.db2.gz HRSXUAMJSGXUTB-MRXNPFEDSA-N 1 2 371.448 2.516 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(-c2ccccn2)nc1 ZINC000425417397 513553265 /nfs/dbraw/zinc/55/32/65/513553265.db2.gz HRSXUAMJSGXUTB-MRXNPFEDSA-N 1 2 371.448 2.516 20 30 FFEDLO COC(=O)c1cnc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)s1 ZINC000425491456 513597314 /nfs/dbraw/zinc/59/73/14/513597314.db2.gz QLMSPZHTGBWTOT-ZDUSSCGKSA-N 1 2 372.450 2.527 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000425585071 513650965 /nfs/dbraw/zinc/65/09/65/513650965.db2.gz PWKHJHJFGYLCGS-ICSRJNTNSA-N 1 2 373.497 2.504 20 30 FFEDLO Cc1cccc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000441977489 513654768 /nfs/dbraw/zinc/65/47/68/513654768.db2.gz IMJYGTVMJSBANN-KRWDZBQOSA-N 1 2 369.490 2.762 20 30 FFEDLO Cc1cccc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000441977489 513654778 /nfs/dbraw/zinc/65/47/78/513654778.db2.gz IMJYGTVMJSBANN-KRWDZBQOSA-N 1 2 369.490 2.762 20 30 FFEDLO COc1ccc([C@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)c2[nH+]ccn2C)cc1 ZINC000425606859 513659673 /nfs/dbraw/zinc/65/96/73/513659673.db2.gz FZNMXVUXTRCLRE-LXZKKBNFSA-N 1 2 353.426 2.510 20 30 FFEDLO C=CCCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000448390371 513748622 /nfs/dbraw/zinc/74/86/22/513748622.db2.gz UFAPXZQUJGGMTM-IRXDYDNUSA-N 1 2 351.878 2.977 20 30 FFEDLO C=CCCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000448390371 513748626 /nfs/dbraw/zinc/74/86/26/513748626.db2.gz UFAPXZQUJGGMTM-IRXDYDNUSA-N 1 2 351.878 2.977 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000436069454 513752701 /nfs/dbraw/zinc/75/27/01/513752701.db2.gz SPPAIZUMYRBZEG-UHFFFAOYSA-N 1 2 373.840 2.950 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(C#N)[nH]c2C)[C@@H](C)C1 ZINC000451458044 513762968 /nfs/dbraw/zinc/76/29/68/513762968.db2.gz MQDFMTXJHJBMKA-HNNXBMFYSA-N 1 2 366.465 2.940 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(C#N)[nH]c2C)[C@@H](C)C1 ZINC000451458044 513762974 /nfs/dbraw/zinc/76/29/74/513762974.db2.gz MQDFMTXJHJBMKA-HNNXBMFYSA-N 1 2 366.465 2.940 20 30 FFEDLO N#CC1(CNC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CCC1 ZINC000419459773 513814423 /nfs/dbraw/zinc/81/44/23/513814423.db2.gz GWXQQFCYLCFCSN-AWEZNQCLSA-N 1 2 362.424 2.922 20 30 FFEDLO N#CC1(CNC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CCC1 ZINC000419459773 513814425 /nfs/dbraw/zinc/81/44/25/513814425.db2.gz GWXQQFCYLCFCSN-AWEZNQCLSA-N 1 2 362.424 2.922 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(C#N)c1Br)C1CC1 ZINC000451680512 513907702 /nfs/dbraw/zinc/90/77/02/513907702.db2.gz JTVSHTVRWQHANU-AWEZNQCLSA-N 1 2 359.227 2.935 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC4CCC3CC4)CC2)cc1 ZINC000426489092 513955875 /nfs/dbraw/zinc/95/58/75/513955875.db2.gz YULRXKXYUROKGS-GQOXECLESA-N 1 2 352.482 2.964 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000451762313 513964110 /nfs/dbraw/zinc/96/41/10/513964110.db2.gz WRIRQBQAVAEJGE-MYYSRTQBSA-N 1 2 368.568 2.884 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000451762313 513964119 /nfs/dbraw/zinc/96/41/19/513964119.db2.gz WRIRQBQAVAEJGE-MYYSRTQBSA-N 1 2 368.568 2.884 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nnc(-c2cccc(Cl)c2)o1 ZINC000414101660 513975017 /nfs/dbraw/zinc/97/50/17/513975017.db2.gz UHAKBJIRFNVWTR-ZDUSSCGKSA-N 1 2 352.847 2.688 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nnc(-c2cccc(Cl)c2)o1 ZINC000414101660 513975021 /nfs/dbraw/zinc/97/50/21/513975021.db2.gz UHAKBJIRFNVWTR-ZDUSSCGKSA-N 1 2 352.847 2.688 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@H]2c2ccc(F)cc2)cc1 ZINC000451789066 513981921 /nfs/dbraw/zinc/98/19/21/513981921.db2.gz PUVGMVVOLCOOSR-QUCCMNQESA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@H]2c2ccc(F)cc2)cc1 ZINC000451789066 513981927 /nfs/dbraw/zinc/98/19/27/513981927.db2.gz PUVGMVVOLCOOSR-QUCCMNQESA-N 1 2 356.397 2.511 20 30 FFEDLO Cc1nnc(SC[C@H](O)C[N@H+](C)CCC#N)n1[C@@H]1CCC[C@H](C)C1 ZINC000414142721 513987470 /nfs/dbraw/zinc/98/74/70/513987470.db2.gz IKGRDJIDOGRGNE-NUEKZKHPSA-N 1 2 351.520 2.636 20 30 FFEDLO Cc1nnc(SC[C@H](O)C[N@@H+](C)CCC#N)n1[C@@H]1CCC[C@H](C)C1 ZINC000414142721 513987479 /nfs/dbraw/zinc/98/74/79/513987479.db2.gz IKGRDJIDOGRGNE-NUEKZKHPSA-N 1 2 351.520 2.636 20 30 FFEDLO Cc1ccc(NC(=O)c2cccc(OC[C@H](O)C[N@H+](C)CCC#N)c2)cc1 ZINC000414148559 513989928 /nfs/dbraw/zinc/98/99/28/513989928.db2.gz NHBCPSAIBHDVAJ-LJQANCHMSA-N 1 2 367.449 2.833 20 30 FFEDLO Cc1ccc(NC(=O)c2cccc(OC[C@H](O)C[N@@H+](C)CCC#N)c2)cc1 ZINC000414148559 513989931 /nfs/dbraw/zinc/98/99/31/513989931.db2.gz NHBCPSAIBHDVAJ-LJQANCHMSA-N 1 2 367.449 2.833 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000443636368 514010102 /nfs/dbraw/zinc/01/01/02/514010102.db2.gz DLEXIULEIASEEB-CRAIPNDOSA-N 1 2 355.825 2.891 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000443636368 514010105 /nfs/dbraw/zinc/01/01/05/514010105.db2.gz DLEXIULEIASEEB-CRAIPNDOSA-N 1 2 355.825 2.891 20 30 FFEDLO N#Cc1ccc(OC2CN(C(=O)Cc3c[nH+]cn3Cc3ccccc3)C2)cc1 ZINC000431814947 514010794 /nfs/dbraw/zinc/01/07/94/514010794.db2.gz QFCGLUHSWLXPGQ-UHFFFAOYSA-N 1 2 372.428 2.635 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000432299054 514152678 /nfs/dbraw/zinc/15/26/78/514152678.db2.gz CBSDWLSNIOYFPW-SFHVURJKSA-N 1 2 366.446 3.000 20 30 FFEDLO C=CCN(CCOC)C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000427349882 514189908 /nfs/dbraw/zinc/18/99/08/514189908.db2.gz MRTXQTZVIHNYTH-UHFFFAOYSA-N 1 2 369.421 2.782 20 30 FFEDLO C=CCC[C@H](C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000427751093 514301928 /nfs/dbraw/zinc/30/19/28/514301928.db2.gz AANSVJHOVWNFBB-RTWAWAEBSA-N 1 2 372.509 2.686 20 30 FFEDLO N#Cc1cnc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(Cl)c1 ZINC000427918086 514346768 /nfs/dbraw/zinc/34/67/68/514346768.db2.gz QWIOSRQOXMWWAP-UHFFFAOYSA-N 1 2 355.760 2.861 20 30 FFEDLO CCC(CC)Oc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000449818648 514369381 /nfs/dbraw/zinc/36/93/81/514369381.db2.gz MROWPAFWAXWDMY-UHFFFAOYSA-N 1 2 373.497 2.942 20 30 FFEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)o1 ZINC000428008474 514372830 /nfs/dbraw/zinc/37/28/30/514372830.db2.gz PMNNZLKNNYRFJA-UHFFFAOYSA-N 1 2 359.813 2.641 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@](C)(c1noc(C)n1)C1CC1 ZINC000433298162 514450655 /nfs/dbraw/zinc/45/06/55/514450655.db2.gz NOSKQMJRKFRKJH-XLIONFOSSA-N 1 2 357.454 2.761 20 30 FFEDLO N#CCCN(Cc1cccnc1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000433314368 514456815 /nfs/dbraw/zinc/45/68/15/514456815.db2.gz AGIJPQMOMBNHHB-UHFFFAOYSA-N 1 2 359.433 2.811 20 30 FFEDLO Cc1cnc([C@@H](C)[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 ZINC000428365058 514457531 /nfs/dbraw/zinc/45/75/31/514457531.db2.gz RUVVHXCJAXTORY-CQSZACIVSA-N 1 2 364.409 2.788 20 30 FFEDLO N#CCCN(Cc1ccccn1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000433366627 514473427 /nfs/dbraw/zinc/47/34/27/514473427.db2.gz ZQOUNKSECZKROV-UHFFFAOYSA-N 1 2 359.433 2.811 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[S@](=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445544232 514491533 /nfs/dbraw/zinc/49/15/33/514491533.db2.gz OJWBATMDNMCUEX-RUZDIDTESA-N 1 2 359.495 2.605 20 30 FFEDLO CN(C)c1noc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)n1 ZINC000475084349 514553479 /nfs/dbraw/zinc/55/34/79/514553479.db2.gz CRBHSUWZJRMFAM-UHFFFAOYSA-N 1 2 363.421 2.876 20 30 FFEDLO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439453653 514554969 /nfs/dbraw/zinc/55/49/69/514554969.db2.gz QEPPOJBNMQXSDQ-UHFFFAOYSA-N 1 2 355.891 2.505 20 30 FFEDLO N#Cc1cccc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000450243737 514560884 /nfs/dbraw/zinc/56/08/84/514560884.db2.gz LYWLFIDXUJQTSA-GOSISDBHSA-N 1 2 352.394 2.952 20 30 FFEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000466407750 514638408 /nfs/dbraw/zinc/63/84/08/514638408.db2.gz XMVIABLOGVUJNZ-KRWDZBQOSA-N 1 2 361.486 2.886 20 30 FFEDLO CC1CCN(C(=O)C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CC1 ZINC000471019210 514719965 /nfs/dbraw/zinc/71/99/65/514719965.db2.gz PFRYZDFWEZPTRY-LJQANCHMSA-N 1 2 374.916 2.781 20 30 FFEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc3c(Cl)ccc(C)c3n2)CC1 ZINC000484644502 514728634 /nfs/dbraw/zinc/72/86/34/514728634.db2.gz PXKNSSOXIXLSAY-UHFFFAOYSA-N 1 2 358.873 2.621 20 30 FFEDLO C=CCCCS(=O)(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000489189760 514745690 /nfs/dbraw/zinc/74/56/90/514745690.db2.gz RHKYFEFSUNORPD-SFHVURJKSA-N 1 2 366.527 2.505 20 30 FFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453664024 514773420 /nfs/dbraw/zinc/77/34/20/514773420.db2.gz UIUZJTXECVGUQU-UHFFFAOYSA-N 1 2 373.844 2.513 20 30 FFEDLO C=CCCCS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000489286062 514783700 /nfs/dbraw/zinc/78/37/00/514783700.db2.gz BOLQVFGWQVPTTH-AWEZNQCLSA-N 1 2 358.454 2.815 20 30 FFEDLO C=CCCCS(=O)(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000489286062 514783706 /nfs/dbraw/zinc/78/37/06/514783706.db2.gz BOLQVFGWQVPTTH-AWEZNQCLSA-N 1 2 358.454 2.815 20 30 FFEDLO CC(C)C[C@@H](CNC(=O)CSc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000484935367 514850155 /nfs/dbraw/zinc/85/01/55/514850155.db2.gz OMNQINHZLHKBKT-KRWDZBQOSA-N 1 2 361.511 2.513 20 30 FFEDLO C=C(CC)CNC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000455954439 514862461 /nfs/dbraw/zinc/86/24/61/514862461.db2.gz MEDYLSCCBCOAGZ-UHFFFAOYSA-N 1 2 369.263 2.768 20 30 FFEDLO CCN1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000456019140 514907692 /nfs/dbraw/zinc/90/76/92/514907692.db2.gz KMFDUXYCHFBLPF-GOSISDBHSA-N 1 2 365.481 2.755 20 30 FFEDLO C=CCCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000489685881 514937499 /nfs/dbraw/zinc/93/74/99/514937499.db2.gz BFXNDACWTIHBSF-DLBZAZTESA-N 1 2 372.918 2.597 20 30 FFEDLO C=CCCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000489685881 514937511 /nfs/dbraw/zinc/93/75/11/514937511.db2.gz BFXNDACWTIHBSF-DLBZAZTESA-N 1 2 372.918 2.597 20 30 FFEDLO C=CCn1c([C@@H](CC)c2ccccc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000509013123 514987389 /nfs/dbraw/zinc/98/73/89/514987389.db2.gz OJEKIDSSIREHBI-IBGZPJMESA-N 1 2 369.513 2.774 20 30 FFEDLO CC#CCN(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000458672655 515005465 /nfs/dbraw/zinc/00/54/65/515005465.db2.gz YRLMUZSDBYQFSD-RDJZCZTQSA-N 1 2 353.388 2.904 20 30 FFEDLO CC#CCN(C)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000458672655 515005476 /nfs/dbraw/zinc/00/54/76/515005476.db2.gz YRLMUZSDBYQFSD-RDJZCZTQSA-N 1 2 353.388 2.904 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccccc3OC(F)F)CC2)c1C#N ZINC000471824931 515021495 /nfs/dbraw/zinc/02/14/95/515021495.db2.gz IWTCYHVDWPLXSF-UHFFFAOYSA-N 1 2 361.396 2.524 20 30 FFEDLO C[C@H](C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1)c1cccc(C#N)c1 ZINC000462464906 515064863 /nfs/dbraw/zinc/06/48/63/515064863.db2.gz QBPMECPILFOQFY-KBXCAEBGSA-N 1 2 352.438 2.679 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000453985441 515097158 /nfs/dbraw/zinc/09/71/58/515097158.db2.gz WXULAKOWSCMLGX-LLVKDONJSA-N 1 2 373.482 2.950 20 30 FFEDLO COC(=O)[C@H](CC(C)C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000509266852 515099934 /nfs/dbraw/zinc/09/99/34/515099934.db2.gz ZWFDFAKZTQQKSP-IBGZPJMESA-N 1 2 366.465 2.816 20 30 FFEDLO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2nnnn2CC2CC2)c1 ZINC000472070614 515111563 /nfs/dbraw/zinc/11/15/63/515111563.db2.gz TWXOURFWBDTPFF-UHFFFAOYSA-N 1 2 374.448 2.824 20 30 FFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000456351567 515118810 /nfs/dbraw/zinc/11/88/10/515118810.db2.gz BICUGLWFAZKZAV-INIZCTEOSA-N 1 2 367.453 2.807 20 30 FFEDLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@H](CCCC#N)c2ccccc2)CCO1 ZINC000458828058 515124174 /nfs/dbraw/zinc/12/41/74/515124174.db2.gz DRVRODWDXQTEGL-RTBURBONSA-N 1 2 358.486 2.832 20 30 FFEDLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H](CCCC#N)c2ccccc2)CCO1 ZINC000458828058 515124182 /nfs/dbraw/zinc/12/41/82/515124182.db2.gz DRVRODWDXQTEGL-RTBURBONSA-N 1 2 358.486 2.832 20 30 FFEDLO C[C@@H]1C[C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c2[nH+]ccn21 ZINC000456364054 515130884 /nfs/dbraw/zinc/13/08/84/515130884.db2.gz FUNYDADFMFSIIX-WBVHZDCISA-N 1 2 365.437 2.732 20 30 FFEDLO N#CCCC[C@@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000458852957 515144095 /nfs/dbraw/zinc/14/40/95/515144095.db2.gz WJJJADVFHMWRME-CEXWTWQISA-N 1 2 356.470 2.584 20 30 FFEDLO N#CCCC[C@@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000458852957 515144103 /nfs/dbraw/zinc/14/41/03/515144103.db2.gz WJJJADVFHMWRME-CEXWTWQISA-N 1 2 356.470 2.584 20 30 FFEDLO Cc1cc(C)c(CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c[nH+]1 ZINC000454040780 515157434 /nfs/dbraw/zinc/15/74/34/515157434.db2.gz XMKQLLXKOFPCCR-UHFFFAOYSA-N 1 2 350.422 2.755 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)ccc1[N+](=O)[O-] ZINC000485745320 515167209 /nfs/dbraw/zinc/16/72/09/515167209.db2.gz QEILYJYVUYLRIS-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000481252607 515262211 /nfs/dbraw/zinc/26/22/11/515262211.db2.gz HHGOWNLCIMTKPT-GOSISDBHSA-N 1 2 367.453 2.892 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000472592865 515329517 /nfs/dbraw/zinc/32/95/17/515329517.db2.gz PUBCOJCQWMIVAL-XJNFMUPTSA-N 1 2 352.475 2.758 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000472592865 515329526 /nfs/dbraw/zinc/32/95/26/515329526.db2.gz PUBCOJCQWMIVAL-XJNFMUPTSA-N 1 2 352.475 2.758 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@H](OC)C[C@H]2CC(=O)OCC)c1C ZINC000481719428 515436196 /nfs/dbraw/zinc/43/61/96/515436196.db2.gz CEXQMXUOLSIGDR-DLBZAZTESA-N 1 2 362.470 2.516 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](OC)C[C@H]2CC(=O)OCC)c1C ZINC000481719428 515436207 /nfs/dbraw/zinc/43/62/07/515436207.db2.gz CEXQMXUOLSIGDR-DLBZAZTESA-N 1 2 362.470 2.516 20 30 FFEDLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459327777 515471908 /nfs/dbraw/zinc/47/19/08/515471908.db2.gz PMPPSHPEJBICIS-GDBMZVCRSA-N 1 2 358.442 2.983 20 30 FFEDLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459327777 515471913 /nfs/dbraw/zinc/47/19/13/515471913.db2.gz PMPPSHPEJBICIS-GDBMZVCRSA-N 1 2 358.442 2.983 20 30 FFEDLO COc1cc([C@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])ccc1OCCO ZINC000459387503 515518367 /nfs/dbraw/zinc/51/83/67/515518367.db2.gz DFXMBIMNFCLLIA-ZDUSSCGKSA-N 1 2 371.393 2.697 20 30 FFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)CCc1ccc(C#N)cc1 ZINC000486529906 515525314 /nfs/dbraw/zinc/52/53/14/515525314.db2.gz FQJVQRXFECRRSH-UHFFFAOYSA-N 1 2 350.344 2.908 20 30 FFEDLO CN(C(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1F)C1(C#N)CCCCC1 ZINC000499949751 515530594 /nfs/dbraw/zinc/53/05/94/515530594.db2.gz PTCVOTKLGCSGNG-OAHLLOKOSA-N 1 2 367.852 2.787 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](CC(C)C)c2ccccc2)C1=O ZINC000500014162 515558750 /nfs/dbraw/zinc/55/87/50/515558750.db2.gz MTIRJKIBWNGGDP-MOPGFXCFSA-N 1 2 357.498 2.609 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](CC(C)C)c2ccccc2)C1=O ZINC000500014162 515558757 /nfs/dbraw/zinc/55/87/57/515558757.db2.gz MTIRJKIBWNGGDP-MOPGFXCFSA-N 1 2 357.498 2.609 20 30 FFEDLO CCOc1cc2c(cc1OCC)C[N@@H+]([C@@H](C)C(=O)NC1(C#N)CCC1)CC2 ZINC000468887594 515566459 /nfs/dbraw/zinc/56/64/59/515566459.db2.gz IPZOTONGZNPRIT-HNNXBMFYSA-N 1 2 371.481 2.793 20 30 FFEDLO CCOc1cc2c(cc1OCC)C[N@H+]([C@@H](C)C(=O)NC1(C#N)CCC1)CC2 ZINC000468887594 515566466 /nfs/dbraw/zinc/56/64/66/515566466.db2.gz IPZOTONGZNPRIT-HNNXBMFYSA-N 1 2 371.481 2.793 20 30 FFEDLO COc1ccc([C@@H](NC(=O)c2ccc(C#N)s2)c2[nH+]ccn2C)cc1 ZINC000486643294 515575896 /nfs/dbraw/zinc/57/58/96/515575896.db2.gz VVLNKUHGJNOLPT-MRXNPFEDSA-N 1 2 352.419 2.881 20 30 FFEDLO COc1ccc([C@H](NC(=O)c2ccc(C#N)s2)c2[nH+]ccn2C)cc1 ZINC000486643291 515576125 /nfs/dbraw/zinc/57/61/25/515576125.db2.gz VVLNKUHGJNOLPT-INIZCTEOSA-N 1 2 352.419 2.881 20 30 FFEDLO CCOC(=O)C1([N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)CCCCC1 ZINC000478033864 515676544 /nfs/dbraw/zinc/67/65/44/515676544.db2.gz DGWULSLYJVWASZ-UHFFFAOYSA-N 1 2 363.502 2.869 20 30 FFEDLO CCOC(=O)C1([N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)CCCCC1 ZINC000478033864 515676556 /nfs/dbraw/zinc/67/65/56/515676556.db2.gz DGWULSLYJVWASZ-UHFFFAOYSA-N 1 2 363.502 2.869 20 30 FFEDLO C[C@H](C(=O)N[C@H](C#N)C1CCCCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000482488261 515692517 /nfs/dbraw/zinc/69/25/17/515692517.db2.gz ZEIVKQYTLIBNKR-OXQOHEQNSA-N 1 2 372.488 2.925 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000505841268 515692678 /nfs/dbraw/zinc/69/26/78/515692678.db2.gz XBYBORYRIRGOPF-UHFFFAOYSA-N 1 2 366.465 2.635 20 30 FFEDLO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)c1 ZINC000510886520 515702841 /nfs/dbraw/zinc/70/28/41/515702841.db2.gz GQJWSLFDGAWALA-UONOGXRCSA-N 1 2 363.433 2.597 20 30 FFEDLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000500469832 515726815 /nfs/dbraw/zinc/72/68/15/515726815.db2.gz QKJBZBXTUPEHKA-SWLSCSKDSA-N 1 2 362.861 2.529 20 30 FFEDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000500469832 515726821 /nfs/dbraw/zinc/72/68/21/515726821.db2.gz QKJBZBXTUPEHKA-SWLSCSKDSA-N 1 2 362.861 2.529 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000506050464 515761509 /nfs/dbraw/zinc/76/15/09/515761509.db2.gz BPYOIMZKOGYFOM-UHFFFAOYSA-N 1 2 354.454 2.958 20 30 FFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000500660646 515806209 /nfs/dbraw/zinc/80/62/09/515806209.db2.gz BPBXDRDPKGGSPW-UHFFFAOYSA-N 1 2 364.449 2.768 20 30 FFEDLO CCOc1ccc(N2C(=O)C[C@H]([N@H+](C)Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000506301090 515843531 /nfs/dbraw/zinc/84/35/31/515843531.db2.gz MWSIRTAKUDLPLY-IBGZPJMESA-N 1 2 363.417 2.721 20 30 FFEDLO CCOc1ccc(N2C(=O)C[C@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000506301090 515843537 /nfs/dbraw/zinc/84/35/37/515843537.db2.gz MWSIRTAKUDLPLY-IBGZPJMESA-N 1 2 363.417 2.721 20 30 FFEDLO Cc1cccn2cc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[nH+]c12 ZINC000506333875 515851931 /nfs/dbraw/zinc/85/19/31/515851931.db2.gz ZWPIFQWFNCMRLK-IBGZPJMESA-N 1 2 356.426 2.521 20 30 FFEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000506343036 515854696 /nfs/dbraw/zinc/85/46/96/515854696.db2.gz VWUDUTMIFYRJHP-AWEZNQCLSA-N 1 2 368.462 2.802 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1C#N ZINC000506449574 515883815 /nfs/dbraw/zinc/88/38/15/515883815.db2.gz ZHPMCLHNCSOFDI-CQSZACIVSA-N 1 2 372.450 2.541 20 30 FFEDLO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1ccc(C#N)s1 ZINC000487570216 515907518 /nfs/dbraw/zinc/90/75/18/515907518.db2.gz GKTGTKQRNGHKIM-UHFFFAOYSA-N 1 2 354.479 2.514 20 30 FFEDLO Cc1ccc(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)[nH+]1 ZINC000506680669 515951445 /nfs/dbraw/zinc/95/14/45/515951445.db2.gz ICDRICIHFWMFFQ-SFHVURJKSA-N 1 2 363.421 2.887 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000487815325 515988559 /nfs/dbraw/zinc/98/85/59/515988559.db2.gz HWDVPCRZDBPUCW-HOTGVXAUSA-N 1 2 363.527 2.814 20 30 FFEDLO Cn1cc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)cc1C#N ZINC000483269113 516012268 /nfs/dbraw/zinc/01/22/68/516012268.db2.gz LTECSZMTBFSOFC-LJQANCHMSA-N 1 2 364.449 2.825 20 30 FFEDLO Cn1cc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)cc1C#N ZINC000483269113 516012273 /nfs/dbraw/zinc/01/22/73/516012273.db2.gz LTECSZMTBFSOFC-LJQANCHMSA-N 1 2 364.449 2.825 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cccc(C#N)c1 ZINC000501191318 516013095 /nfs/dbraw/zinc/01/30/95/516013095.db2.gz HELLUBKNOCAFQW-IAGOWNOFSA-N 1 2 369.490 2.842 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cccc(C#N)c1 ZINC000501191318 516013103 /nfs/dbraw/zinc/01/31/03/516013103.db2.gz HELLUBKNOCAFQW-IAGOWNOFSA-N 1 2 369.490 2.842 20 30 FFEDLO COC(=O)[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000506904168 516017765 /nfs/dbraw/zinc/01/77/65/516017765.db2.gz JRFQAUOAIYIHJW-FQEVSTJZSA-N 1 2 367.424 2.729 20 30 FFEDLO C=CCC1(NC(=O)NCc2ccc[nH+]c2N2CCOCC2)CCCCC1 ZINC000457670801 516056762 /nfs/dbraw/zinc/05/67/62/516056762.db2.gz OINIELRFIDXUPG-UHFFFAOYSA-N 1 2 358.486 2.996 20 30 FFEDLO Cc1ccc(-n2c[nH+]c3c2CCN([C@H](C(N)=O)c2ccc(C#N)cc2)C3)cc1 ZINC000488082345 516111196 /nfs/dbraw/zinc/11/11/96/516111196.db2.gz XVXUUWXJNNSDNK-NRFANRHFSA-N 1 2 371.444 2.637 20 30 FFEDLO Cc1cc(C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)ccc1C#N ZINC000488125204 516124661 /nfs/dbraw/zinc/12/46/61/516124661.db2.gz LEHRBDZSZGWQLG-UHFFFAOYSA-N 1 2 366.440 2.762 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000507281601 516152803 /nfs/dbraw/zinc/15/28/03/516152803.db2.gz GHFPHLKIEOJRLH-UHFFFAOYSA-N 1 2 360.461 2.808 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000488209270 516159969 /nfs/dbraw/zinc/15/99/69/516159969.db2.gz KAGBQVXQOCPLMH-SFHVURJKSA-N 1 2 357.498 2.500 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCc1cccc(OC)c1 ZINC000512187096 516187889 /nfs/dbraw/zinc/18/78/89/516187889.db2.gz PDEMGDJWALSYBE-MRXNPFEDSA-N 1 2 372.465 2.864 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCc1cccc(OC)c1 ZINC000512187096 516187894 /nfs/dbraw/zinc/18/78/94/516187894.db2.gz PDEMGDJWALSYBE-MRXNPFEDSA-N 1 2 372.465 2.864 20 30 FFEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457850044 516188205 /nfs/dbraw/zinc/18/82/05/516188205.db2.gz GJFKAMMGIUVZEI-UHFFFAOYSA-N 1 2 353.344 2.976 20 30 FFEDLO C=CCCCC(=O)N1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000501804868 516229199 /nfs/dbraw/zinc/22/91/99/516229199.db2.gz GCMODUGQXBTYDW-HXUWFJFHSA-N 1 2 369.509 2.678 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000488746410 516298756 /nfs/dbraw/zinc/29/87/56/516298756.db2.gz CMTDVNHFECAXEC-QGZVFWFLSA-N 1 2 359.495 2.847 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCC(C)(C)C#N)[C@H](C)C1 ZINC000512777774 516356073 /nfs/dbraw/zinc/35/60/73/516356073.db2.gz IREZOJBSOFWZSA-MRXNPFEDSA-N 1 2 358.486 2.851 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCC(C)(C)C#N)[C@H](C)C1 ZINC000512777774 516356080 /nfs/dbraw/zinc/35/60/80/516356080.db2.gz IREZOJBSOFWZSA-MRXNPFEDSA-N 1 2 358.486 2.851 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)c(F)c1 ZINC000543691079 516368276 /nfs/dbraw/zinc/36/82/76/516368276.db2.gz BSMBEHBRAJMONG-UHFFFAOYSA-N 1 2 359.304 2.850 20 30 FFEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC(C)(C)[C@H]2c2cccs2)CC1 ZINC000554309337 516377201 /nfs/dbraw/zinc/37/72/01/516377201.db2.gz QDBNFANXOUAMND-VQIMIIECSA-N 1 2 374.554 2.823 20 30 FFEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC(C)(C)[C@H]2c2cccs2)CC1 ZINC000554309337 516377210 /nfs/dbraw/zinc/37/72/10/516377210.db2.gz QDBNFANXOUAMND-VQIMIIECSA-N 1 2 374.554 2.823 20 30 FFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCO[C@H](c3cccc(Br)c3)C2)CC1 ZINC000528363245 516378842 /nfs/dbraw/zinc/37/88/42/516378842.db2.gz CUYOPOBAPAENKD-HOTGVXAUSA-N 1 2 365.271 2.877 20 30 FFEDLO N#CC1(C[C@H](O)C[N@H+]2CCO[C@H](c3cccc(Br)c3)C2)CC1 ZINC000528363245 516378850 /nfs/dbraw/zinc/37/88/50/516378850.db2.gz CUYOPOBAPAENKD-HOTGVXAUSA-N 1 2 365.271 2.877 20 30 FFEDLO C[C@H](C(=O)NCc1cccc(C#N)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000517702512 516415917 /nfs/dbraw/zinc/41/59/17/516415917.db2.gz GKLMJKWOQPXOIL-MRXNPFEDSA-N 1 2 366.440 2.524 20 30 FFEDLO Cc1cc(N2CC[NH+](Cc3cn4cc(Cl)ccc4n3)CC2)cc(C#N)n1 ZINC000561173583 516427336 /nfs/dbraw/zinc/42/73/36/516427336.db2.gz PDZUABDNEZJFKP-UHFFFAOYSA-N 1 2 366.856 2.885 20 30 FFEDLO N#CC1(C[C@H](O)C[NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)CC1 ZINC000528483880 516471719 /nfs/dbraw/zinc/47/17/19/516471719.db2.gz HYFIWSAZOFFTMN-INIZCTEOSA-N 1 2 369.490 2.714 20 30 FFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCOc3ccc(Br)cc3C2)CC1 ZINC000528487603 516474373 /nfs/dbraw/zinc/47/43/73/516474373.db2.gz DTHXJIHVFORXOV-AWEZNQCLSA-N 1 2 351.244 2.698 20 30 FFEDLO N#CC1(C[C@H](O)C[N@H+]2CCOc3ccc(Br)cc3C2)CC1 ZINC000528487603 516474379 /nfs/dbraw/zinc/47/43/79/516474379.db2.gz DTHXJIHVFORXOV-AWEZNQCLSA-N 1 2 351.244 2.698 20 30 FFEDLO Cn1c(C[NH+]2CCC(C#N)(c3ccccn3)CC2)nnc1-c1ccccc1 ZINC000554564986 516512866 /nfs/dbraw/zinc/51/28/66/516512866.db2.gz OVXOMQFRVLEQLV-UHFFFAOYSA-N 1 2 358.449 2.934 20 30 FFEDLO N#Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1O ZINC000554579464 516522205 /nfs/dbraw/zinc/52/22/05/516522205.db2.gz PAQDINWALUHXHL-INIZCTEOSA-N 1 2 350.422 2.816 20 30 FFEDLO COc1cc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)ccc1C#N ZINC000518022800 516526063 /nfs/dbraw/zinc/52/60/63/516526063.db2.gz LKZHWFMOVBENGE-UHFFFAOYSA-N 1 2 365.437 2.561 20 30 FFEDLO CC(C)[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1nc(-c2ccncc2)no1 ZINC000551065462 516547400 /nfs/dbraw/zinc/54/74/00/516547400.db2.gz WABNSOWHFPERTM-MRXNPFEDSA-N 1 2 374.408 2.533 20 30 FFEDLO C=CC[N@@H+](CCc1ccco1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544119349 516596457 /nfs/dbraw/zinc/59/64/57/516596457.db2.gz BVEBXDOGGCGIHD-UHFFFAOYSA-N 1 2 364.423 2.692 20 30 FFEDLO C=CC[N@H+](CCc1ccco1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544119349 516596464 /nfs/dbraw/zinc/59/64/64/516596464.db2.gz BVEBXDOGGCGIHD-UHFFFAOYSA-N 1 2 364.423 2.692 20 30 FFEDLO Cn1c2c([nH+]c1[C@H]1CCCN1S(=O)(=O)CCC(C)(C)C#N)CCCC2 ZINC000558434478 516741354 /nfs/dbraw/zinc/74/13/54/516741354.db2.gz PQOZODQXUGYOQA-MRXNPFEDSA-N 1 2 364.515 2.705 20 30 FFEDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3cc(C#N)ccc3Cl)cn2c1 ZINC000558585410 516822126 /nfs/dbraw/zinc/82/21/26/516822126.db2.gz OVRVGAHVMKPMRH-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000514108997 516865381 /nfs/dbraw/zinc/86/53/81/516865381.db2.gz IJPXSZHDBONZLV-PKOBYXMFSA-N 1 2 373.497 2.684 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000514108997 516865387 /nfs/dbraw/zinc/86/53/87/516865387.db2.gz IJPXSZHDBONZLV-PKOBYXMFSA-N 1 2 373.497 2.684 20 30 FFEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548282246 516871586 /nfs/dbraw/zinc/87/15/86/516871586.db2.gz PICFEUCSQOMWAT-OAHLLOKOSA-N 1 2 362.355 2.568 20 30 FFEDLO N#CCN1CCC(CNC(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000558715099 516905794 /nfs/dbraw/zinc/90/57/94/516905794.db2.gz FCRXJWPGMXWLPI-UHFFFAOYSA-N 1 2 350.422 2.839 20 30 FFEDLO N#C[C@H]1N(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CCC[C@]12CCCCO2 ZINC000551923586 516960353 /nfs/dbraw/zinc/96/03/53/516960353.db2.gz GDHKVHMUZACXTL-TZIWHRDSSA-N 1 2 364.449 2.999 20 30 FFEDLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1c(F)cccc1F ZINC000537022519 517006995 /nfs/dbraw/zinc/00/69/95/517006995.db2.gz ONQOYHWELLOKPF-GFCCVEGCSA-N 1 2 350.390 2.961 20 30 FFEDLO C=CC[C@@H](CO)CNC(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000558981177 517028664 /nfs/dbraw/zinc/02/86/64/517028664.db2.gz RLHGCCISRRYCKP-OAHLLOKOSA-N 1 2 356.470 2.917 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(N2CCCC2=O)c1 ZINC000537109147 517039976 /nfs/dbraw/zinc/03/99/76/517039976.db2.gz ZVYCJYGSOKHROW-JLTOFOAXSA-N 1 2 362.433 2.562 20 30 FFEDLO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)c1 ZINC000562362374 517054528 /nfs/dbraw/zinc/05/45/28/517054528.db2.gz WZFMCEIIEYXKQS-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO C[C@H](CCCc1ccccc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000537193038 517080292 /nfs/dbraw/zinc/08/02/92/517080292.db2.gz NKNRGHLKROLMSB-LJQANCHMSA-N 1 2 357.498 2.720 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000555880026 517164890 /nfs/dbraw/zinc/16/48/90/517164890.db2.gz HVNYXOCWHQKCEF-MSOLQXFVSA-N 1 2 352.438 2.631 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000555880026 517164896 /nfs/dbraw/zinc/16/48/96/517164896.db2.gz HVNYXOCWHQKCEF-MSOLQXFVSA-N 1 2 352.438 2.631 20 30 FFEDLO COc1ccc(C#N)cc1NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000541693899 517175754 /nfs/dbraw/zinc/17/57/54/517175754.db2.gz XZSPFQZJJPRJGC-UHFFFAOYSA-N 1 2 373.416 2.952 20 30 FFEDLO Cc1ccc(C(=O)C2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000532924937 517204683 /nfs/dbraw/zinc/20/46/83/517204683.db2.gz PPGUNKOABQCPES-HXUWFJFHSA-N 1 2 361.445 2.988 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C/C=C\c1ccc(F)cc1F ZINC000541773496 517209183 /nfs/dbraw/zinc/20/91/83/517209183.db2.gz ZJBMZTHKAQOTSF-SFAKSCPVSA-N 1 2 355.392 2.850 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C/C=C\c1ccc(F)cc1F ZINC000541773496 517209192 /nfs/dbraw/zinc/20/91/92/517209192.db2.gz ZJBMZTHKAQOTSF-SFAKSCPVSA-N 1 2 355.392 2.850 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2csc(CC)n2)CC1 ZINC000515094371 517209218 /nfs/dbraw/zinc/20/92/18/517209218.db2.gz KVZHLNULPHWOQL-INIZCTEOSA-N 1 2 364.559 2.636 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545932625 517444277 /nfs/dbraw/zinc/44/42/77/517444277.db2.gz WXKMIRGVKJTFMK-SJCJKPOMSA-N 1 2 369.387 2.911 20 30 FFEDLO Cc1cc(-c2noc([C@@H](C)[NH2+][C@H](C)C(=O)NC3(C#N)CCC3)n2)ccc1F ZINC000527049492 517471102 /nfs/dbraw/zinc/47/11/02/517471102.db2.gz QSGDATOBBOEIAN-CHWSQXEVSA-N 1 2 371.416 2.786 20 30 FFEDLO CCc1cc(N)nc(S[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[nH+]1 ZINC000560025611 517539869 /nfs/dbraw/zinc/53/98/69/517539869.db2.gz RECKPCISUWQAJQ-OAHLLOKOSA-N 1 2 353.451 2.611 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000520941920 517557357 /nfs/dbraw/zinc/55/73/57/517557357.db2.gz LVQKZNOSENMZLW-UHFFFAOYSA-N 1 2 362.462 2.794 20 30 FFEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1nnnn1-c1ccccc1 ZINC000542570662 517634270 /nfs/dbraw/zinc/63/42/70/517634270.db2.gz COMLNIGVKCPQBM-LBPRGKRZSA-N 1 2 370.363 2.986 20 30 FFEDLO C=CC[C@@H](CC)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000538502093 517645720 /nfs/dbraw/zinc/64/57/20/517645720.db2.gz VWMXHVSNVODMPO-CVEARBPZSA-N 1 2 350.532 2.691 20 30 FFEDLO COc1cccc(Cl)c1C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000530352869 517722315 /nfs/dbraw/zinc/72/23/15/517722315.db2.gz JOZLAPJXXKQGHT-UHFFFAOYSA-N 1 2 359.861 2.584 20 30 FFEDLO C=C(C)[C@H](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)OCC ZINC000534401412 517881185 /nfs/dbraw/zinc/88/11/85/517881185.db2.gz KOSIOQQDMXSDOM-NUJGCVRESA-N 1 2 361.486 2.683 20 30 FFEDLO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546919603 517921803 /nfs/dbraw/zinc/92/18/03/517921803.db2.gz GYNNJUZOCLZMSP-OAHLLOKOSA-N 1 2 360.421 2.886 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc(Cl)c1OC ZINC000546965323 517937441 /nfs/dbraw/zinc/93/74/41/517937441.db2.gz GOWLRKVTHYUQQI-UHFFFAOYSA-N 1 2 372.856 2.946 20 30 FFEDLO C=CCc1cc(C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)cc(OC)c1O ZINC000546968675 517939769 /nfs/dbraw/zinc/93/97/69/517939769.db2.gz DYXPFJYIODCINU-UHFFFAOYSA-N 1 2 358.482 2.962 20 30 FFEDLO C=CCc1cc(C[N@H+]2CCN(C(=O)C3CC3)CC2(C)C)cc(OC)c1O ZINC000546968675 517939778 /nfs/dbraw/zinc/93/97/78/517939778.db2.gz DYXPFJYIODCINU-UHFFFAOYSA-N 1 2 358.482 2.962 20 30 FFEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000539809707 518165595 /nfs/dbraw/zinc/16/55/95/518165595.db2.gz SNLFSKBWRXBIQT-QRWLVFNGSA-N 1 2 365.481 2.963 20 30 FFEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000539809707 518165599 /nfs/dbraw/zinc/16/55/99/518165599.db2.gz SNLFSKBWRXBIQT-QRWLVFNGSA-N 1 2 365.481 2.963 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCCc3c(cnn3C)C2)c1 ZINC000578497177 518237593 /nfs/dbraw/zinc/23/75/93/518237593.db2.gz SSVSVRVBGGASQP-UHFFFAOYSA-N 1 2 365.481 2.732 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCc3c(cnn3C)C2)c1 ZINC000578497177 518237603 /nfs/dbraw/zinc/23/76/03/518237603.db2.gz SSVSVRVBGGASQP-UHFFFAOYSA-N 1 2 365.481 2.732 20 30 FFEDLO CC[C@H](CC#N)[NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000578546590 518261465 /nfs/dbraw/zinc/26/14/65/518261465.db2.gz IZEVOMFBAJYVGK-RISCZKNCSA-N 1 2 368.359 2.575 20 30 FFEDLO C[N@H+](C[C@@H]1OCCc2ccccc21)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000572680855 518308484 /nfs/dbraw/zinc/30/84/84/518308484.db2.gz UVNCXSFXOHRCDL-ROUUACIJSA-N 1 2 367.474 2.971 20 30 FFEDLO C[N@@H+](C[C@@H]1OCCc2ccccc21)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000572680855 518308492 /nfs/dbraw/zinc/30/84/92/518308492.db2.gz UVNCXSFXOHRCDL-ROUUACIJSA-N 1 2 367.474 2.971 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1C#N ZINC000584550137 518393509 /nfs/dbraw/zinc/39/35/09/518393509.db2.gz CVTOIMIOABBVHP-HNNXBMFYSA-N 1 2 374.441 2.553 20 30 FFEDLO C[C@H](CC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)n1cc[nH+]c1 ZINC000581729938 518428653 /nfs/dbraw/zinc/42/86/53/518428653.db2.gz PTAVQARNGYPIQU-CQSZACIVSA-N 1 2 356.401 2.915 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000578922121 518437475 /nfs/dbraw/zinc/43/74/75/518437475.db2.gz NPVRDAJGRUILGV-PZJWPPBQSA-N 1 2 361.445 2.909 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000578922121 518437479 /nfs/dbraw/zinc/43/74/79/518437479.db2.gz NPVRDAJGRUILGV-PZJWPPBQSA-N 1 2 361.445 2.909 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000573196152 518550470 /nfs/dbraw/zinc/55/04/70/518550470.db2.gz YZAVVNPEXTWMTD-UHFFFAOYSA-N 1 2 373.482 2.537 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)cc1 ZINC000570380074 518577689 /nfs/dbraw/zinc/57/76/89/518577689.db2.gz RCMSPHJKVAMIIJ-INIZCTEOSA-N 1 2 354.385 2.574 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)cc1 ZINC000570380074 518577693 /nfs/dbraw/zinc/57/76/93/518577693.db2.gz RCMSPHJKVAMIIJ-INIZCTEOSA-N 1 2 354.385 2.574 20 30 FFEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564799913 518621672 /nfs/dbraw/zinc/62/16/72/518621672.db2.gz XSNDXBZOXSDWFN-GOSISDBHSA-N 1 2 357.421 2.825 20 30 FFEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564799913 518621680 /nfs/dbraw/zinc/62/16/80/518621680.db2.gz XSNDXBZOXSDWFN-GOSISDBHSA-N 1 2 357.421 2.825 20 30 FFEDLO Cc1cc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)cc(C#N)n1 ZINC000587977122 518690217 /nfs/dbraw/zinc/69/02/17/518690217.db2.gz FFZHLQZGIYNMIT-LJQANCHMSA-N 1 2 356.857 2.771 20 30 FFEDLO CCOc1ccc(-c2nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cs2)cc1 ZINC000579480825 518702526 /nfs/dbraw/zinc/70/25/26/518702526.db2.gz YVWRYNNVCIKYQL-SFHVURJKSA-N 1 2 358.467 2.782 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCCc2c(cnn2C)C1 ZINC000579926235 518921208 /nfs/dbraw/zinc/92/12/08/518921208.db2.gz XRJNXDRAAPCZCL-HNNXBMFYSA-N 1 2 369.444 2.643 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCCc2c(cnn2C)C1 ZINC000579926235 518921210 /nfs/dbraw/zinc/92/12/10/518921210.db2.gz XRJNXDRAAPCZCL-HNNXBMFYSA-N 1 2 369.444 2.643 20 30 FFEDLO Cc1c(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cnn1C ZINC000577144129 518934107 /nfs/dbraw/zinc/93/41/07/518934107.db2.gz BNXSAVDAHMRNGF-OAHLLOKOSA-N 1 2 357.433 2.635 20 30 FFEDLO Cc1c(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cnn1C ZINC000577144129 518934114 /nfs/dbraw/zinc/93/41/14/518934114.db2.gz BNXSAVDAHMRNGF-OAHLLOKOSA-N 1 2 357.433 2.635 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000571181754 518968223 /nfs/dbraw/zinc/96/82/23/518968223.db2.gz BKCPKYLNSFQTQG-OAHLLOKOSA-N 1 2 373.453 2.592 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000571181754 518968229 /nfs/dbraw/zinc/96/82/29/518968229.db2.gz BKCPKYLNSFQTQG-OAHLLOKOSA-N 1 2 373.453 2.592 20 30 FFEDLO N#Cc1ccc(N2CCC([NH2+]Cc3[nH]ncc3Br)CC2)cc1 ZINC000574106601 518990589 /nfs/dbraw/zinc/99/05/89/518990589.db2.gz GPEBVPIOBFTFCU-UHFFFAOYSA-N 1 2 360.259 2.802 20 30 FFEDLO Cc1nc(NCc2cccc(C(=O)N3CCC(CCC#N)CC3)c2)cc[nH+]1 ZINC000571686083 519221474 /nfs/dbraw/zinc/22/14/74/519221474.db2.gz YYLDLAIDHSFBRQ-UHFFFAOYSA-N 1 2 363.465 2.975 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000590464499 519240847 /nfs/dbraw/zinc/24/08/47/519240847.db2.gz OMEGHLGVEAUMDB-RBUKOAKNSA-N 1 2 360.498 2.717 20 30 FFEDLO C[N@@H+]1CCO[C@H]([C@H](NCc2nc(C#N)cs2)c2ccc(Cl)cc2)C1 ZINC000571770648 519268243 /nfs/dbraw/zinc/26/82/43/519268243.db2.gz PGTPOOYBWQLAMF-DOTOQJQBSA-N 1 2 362.886 2.830 20 30 FFEDLO C[N@H+]1CCO[C@H]([C@H](NCc2nc(C#N)cs2)c2ccc(Cl)cc2)C1 ZINC000571770648 519268252 /nfs/dbraw/zinc/26/82/52/519268252.db2.gz PGTPOOYBWQLAMF-DOTOQJQBSA-N 1 2 362.886 2.830 20 30 FFEDLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000580751790 519337293 /nfs/dbraw/zinc/33/72/93/519337293.db2.gz UDAFZDVTJPDRQL-MRXNPFEDSA-N 1 2 358.467 2.845 20 30 FFEDLO Cc1cc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c(C#N)cc1N(C)C ZINC000580984145 519459871 /nfs/dbraw/zinc/45/98/71/519459871.db2.gz HZPFYDUHIJDOQR-UHFFFAOYSA-N 1 2 372.494 2.795 20 30 FFEDLO C[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000575049876 519472936 /nfs/dbraw/zinc/47/29/36/519472936.db2.gz SCXYYBRCBGZPDE-ABAIWWIYSA-N 1 2 370.316 2.890 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)c1 ZINC000581168631 519553722 /nfs/dbraw/zinc/55/37/22/519553722.db2.gz GLGMEEOPTCVLAB-IBGZPJMESA-N 1 2 359.433 2.877 20 30 FFEDLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1cccc2ccccc21 ZINC000602855302 519926676 /nfs/dbraw/zinc/92/66/76/519926676.db2.gz GHXCTRXZRDRMSO-FGTMMUONSA-N 1 2 364.493 2.935 20 30 FFEDLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1cccc2ccccc21 ZINC000602855302 519926688 /nfs/dbraw/zinc/92/66/88/519926688.db2.gz GHXCTRXZRDRMSO-FGTMMUONSA-N 1 2 364.493 2.935 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)N2CC[C@H](C)Sc3ccccc32)C[C@H](C)N1CC#N ZINC000602860349 519933423 /nfs/dbraw/zinc/93/34/23/519933423.db2.gz IWQVWUGSMIEWRB-BBWFWOEESA-N 1 2 372.538 2.822 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)N2CC[C@H](C)Sc3ccccc32)C[C@H](C)N1CC#N ZINC000602860349 519933430 /nfs/dbraw/zinc/93/34/30/519933430.db2.gz IWQVWUGSMIEWRB-BBWFWOEESA-N 1 2 372.538 2.822 20 30 FFEDLO C[C@@H]1C[NH+](CC(=O)NCCc2ccc(C(C)(C)C)cc2)C[C@@H](C)N1CC#N ZINC000602863236 519935075 /nfs/dbraw/zinc/93/50/75/519935075.db2.gz PDTSIZGCNYQNPS-QZTJIDSGSA-N 1 2 370.541 2.561 20 30 FFEDLO CC(C)c1nnc(CC2CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)[nH]1 ZINC000602868239 519938224 /nfs/dbraw/zinc/93/82/24/519938224.db2.gz ZLZUGTWWFLZVFT-QRWLVFNGSA-N 1 2 374.533 2.626 20 30 FFEDLO CC(C)c1nc(CC2CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)n[nH]1 ZINC000602868239 519938230 /nfs/dbraw/zinc/93/82/30/519938230.db2.gz ZLZUGTWWFLZVFT-QRWLVFNGSA-N 1 2 374.533 2.626 20 30 FFEDLO COc1ccc(-c2csc(NC(=O)C[NH2+][C@H](C)CC#N)n2)c(OC)c1 ZINC000602869136 519938751 /nfs/dbraw/zinc/93/87/51/519938751.db2.gz MQQJXGDNIWDPNQ-LLVKDONJSA-N 1 2 360.439 2.658 20 30 FFEDLO CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1 ZINC000602890970 519953081 /nfs/dbraw/zinc/95/30/81/519953081.db2.gz FIIXOPRFJHGSHI-CYBMUJFWSA-N 1 2 356.348 2.925 20 30 FFEDLO CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1 ZINC000602890970 519953085 /nfs/dbraw/zinc/95/30/85/519953085.db2.gz FIIXOPRFJHGSHI-CYBMUJFWSA-N 1 2 356.348 2.925 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908248 519965139 /nfs/dbraw/zinc/96/51/39/519965139.db2.gz BNDRRALPDGBBAQ-UHFFFAOYSA-N 1 2 351.435 2.705 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccc(Br)cc1F ZINC000602927769 519977619 /nfs/dbraw/zinc/97/76/19/519977619.db2.gz YKXHZAUJAXUWHJ-LLVKDONJSA-N 1 2 368.250 2.971 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccc(Br)cc1F ZINC000602927769 519977631 /nfs/dbraw/zinc/97/76/31/519977631.db2.gz YKXHZAUJAXUWHJ-LLVKDONJSA-N 1 2 368.250 2.971 20 30 FFEDLO C[N@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)[C@H]1CCC[C@H]1C#N ZINC000602977889 520002255 /nfs/dbraw/zinc/00/22/55/520002255.db2.gz ILIKQJVTQGTIDR-HOCLYGCPSA-N 1 2 369.387 2.868 20 30 FFEDLO C[N@@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)[C@H]1CCC[C@H]1C#N ZINC000602977889 520002266 /nfs/dbraw/zinc/00/22/66/520002266.db2.gz ILIKQJVTQGTIDR-HOCLYGCPSA-N 1 2 369.387 2.868 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)[C@H]2CCC[C@H]2C#N)cc1OC ZINC000602979446 520002623 /nfs/dbraw/zinc/00/26/23/520002623.db2.gz DMYBOIQLAWCXGL-BZSNNMDCSA-N 1 2 371.481 2.991 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1OC ZINC000602979446 520002632 /nfs/dbraw/zinc/00/26/32/520002632.db2.gz DMYBOIQLAWCXGL-BZSNNMDCSA-N 1 2 371.481 2.991 20 30 FFEDLO CCOc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@H]2CCC[C@@H]2C#N)cc1OC ZINC000602977933 520003691 /nfs/dbraw/zinc/00/36/91/520003691.db2.gz IYPULTWTIFFGKM-UAGQMJEPSA-N 1 2 359.470 2.895 20 30 FFEDLO CCOc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc1OC ZINC000602977933 520003697 /nfs/dbraw/zinc/00/36/97/520003697.db2.gz IYPULTWTIFFGKM-UAGQMJEPSA-N 1 2 359.470 2.895 20 30 FFEDLO CCOc1cc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)nc2nc(C(F)(F)F)nn21 ZINC000602980895 520005918 /nfs/dbraw/zinc/00/59/18/520005918.db2.gz XATDRPLHRGYUCJ-ZYHUDNBSSA-N 1 2 368.363 2.666 20 30 FFEDLO CCOc1cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)nc2nc(C(F)(F)F)nn21 ZINC000602980895 520005927 /nfs/dbraw/zinc/00/59/27/520005927.db2.gz XATDRPLHRGYUCJ-ZYHUDNBSSA-N 1 2 368.363 2.666 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccccc2C#N)cc1 ZINC000591773297 520032654 /nfs/dbraw/zinc/03/26/54/520032654.db2.gz LMMADLJEHCDCHR-GOSISDBHSA-N 1 2 350.422 2.969 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccccc2C#N)cc1 ZINC000591773297 520032659 /nfs/dbraw/zinc/03/26/59/520032659.db2.gz LMMADLJEHCDCHR-GOSISDBHSA-N 1 2 350.422 2.969 20 30 FFEDLO Cc1cc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)c(C#N)cn1 ZINC000591819800 520050383 /nfs/dbraw/zinc/05/03/83/520050383.db2.gz FMFWPQFHZNRSKA-IBGZPJMESA-N 1 2 356.857 2.771 20 30 FFEDLO N#Cc1ccc([C@H]([NH2+]C[C@H](OC2CCCC2)C(F)(F)F)C(N)=O)cc1 ZINC000594709818 520105057 /nfs/dbraw/zinc/10/50/57/520105057.db2.gz FPPTYXKCZDPPTQ-GJZGRUSLSA-N 1 2 355.360 2.564 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000594768549 520145981 /nfs/dbraw/zinc/14/59/81/520145981.db2.gz VTIQSMRKBWRCIY-RYUDHWBXSA-N 1 2 363.508 2.795 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000594768549 520145992 /nfs/dbraw/zinc/14/59/92/520145992.db2.gz VTIQSMRKBWRCIY-RYUDHWBXSA-N 1 2 363.508 2.795 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000594767476 520146271 /nfs/dbraw/zinc/14/62/71/520146271.db2.gz LDJJYNWFJFGFCT-STQMWFEESA-N 1 2 363.508 2.795 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000594767476 520146275 /nfs/dbraw/zinc/14/62/75/520146275.db2.gz LDJJYNWFJFGFCT-STQMWFEESA-N 1 2 363.508 2.795 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000597646384 520155658 /nfs/dbraw/zinc/15/56/58/520155658.db2.gz WMBBKPYHBUABKS-HZPDHXFCSA-N 1 2 368.412 2.604 20 30 FFEDLO Cc1cc(C#N)ccc1Cn1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000603237226 520174712 /nfs/dbraw/zinc/17/47/12/520174712.db2.gz OVHGZSXSZBLGAU-UHFFFAOYSA-N 1 2 372.476 2.829 20 30 FFEDLO Cc1ccc2[nH+]c(CNC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)cn2c1 ZINC000609108431 520193731 /nfs/dbraw/zinc/19/37/31/520193731.db2.gz DDEJQAADAQUZED-LJQANCHMSA-N 1 2 359.433 2.800 20 30 FFEDLO C[C@@H](NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000592144845 520220456 /nfs/dbraw/zinc/22/04/56/520220456.db2.gz JSXKRMNPEHFVPT-BDJLRTHQSA-N 1 2 356.253 2.521 20 30 FFEDLO C[C@@H](NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000592144845 520220462 /nfs/dbraw/zinc/22/04/62/520220462.db2.gz JSXKRMNPEHFVPT-BDJLRTHQSA-N 1 2 356.253 2.521 20 30 FFEDLO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149099 520226771 /nfs/dbraw/zinc/22/67/71/520226771.db2.gz IWFHLPJANLGOMP-RDTXWAMCSA-N 1 2 362.499 2.548 20 30 FFEDLO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149099 520226782 /nfs/dbraw/zinc/22/67/82/520226782.db2.gz IWFHLPJANLGOMP-RDTXWAMCSA-N 1 2 362.499 2.548 20 30 FFEDLO Cn1cc[nH+]c1[C@H](Cc1ccccc1)NC(=O)CC1(C#N)CCOCC1 ZINC000597813844 520253114 /nfs/dbraw/zinc/25/31/14/520253114.db2.gz BNWKSZOSAKAAFK-KRWDZBQOSA-N 1 2 352.438 2.531 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CC(N)=O)C1CCCC1 ZINC000609385024 520299799 /nfs/dbraw/zinc/29/97/99/520299799.db2.gz HLTJQNBPUOQDFH-AWEZNQCLSA-N 1 2 374.510 2.749 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CC(N)=O)C1CCCC1 ZINC000609385024 520299805 /nfs/dbraw/zinc/29/98/05/520299805.db2.gz HLTJQNBPUOQDFH-AWEZNQCLSA-N 1 2 374.510 2.749 20 30 FFEDLO Cc1ccc([C@H](NC(=O)C[NH+]2CCN([C@H](C#N)C(C)C)CC2)C2CC2)cc1 ZINC000609484882 520328489 /nfs/dbraw/zinc/32/84/89/520328489.db2.gz NUZOFBUEPKYKSU-IRLDBZIGSA-N 1 2 368.525 2.728 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000609486303 520330562 /nfs/dbraw/zinc/33/05/62/520330562.db2.gz HWJLHPSEQQVPQP-NHCUHLMSSA-N 1 2 368.525 2.906 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000603629564 520333602 /nfs/dbraw/zinc/33/36/02/520333602.db2.gz LPLSQSKUFJVKJG-JTDSTZFVSA-N 1 2 372.488 2.903 20 30 FFEDLO Cc1cc(C)n([C@@H](C)CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000603696935 520344668 /nfs/dbraw/zinc/34/46/68/520344668.db2.gz AXCKIKWGJMDMFW-SFHVURJKSA-N 1 2 365.481 2.667 20 30 FFEDLO CC(C)[C@@H](CNC(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1)c1ccccc1 ZINC000609539358 520349242 /nfs/dbraw/zinc/34/92/42/520349242.db2.gz YLBXKKBCLQKFIP-NHCUHLMSSA-N 1 2 370.541 2.708 20 30 FFEDLO Cc1ccc(-c2nn(C)cc2C[NH+]2CCN(c3ncccc3C#N)CC2)o1 ZINC000592497196 520420406 /nfs/dbraw/zinc/42/04/06/520420406.db2.gz NPXNCEJZKJBSCI-UHFFFAOYSA-N 1 2 362.437 2.577 20 30 FFEDLO N#C[C@@H](Cc1ccccc1)n1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000609750679 520421094 /nfs/dbraw/zinc/42/10/94/520421094.db2.gz TWFPLNPHEOFESG-UXHICEINSA-N 1 2 374.448 2.554 20 30 FFEDLO N#C[C@@H](Cc1ccccc1)n1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000609750679 520421100 /nfs/dbraw/zinc/42/11/00/520421100.db2.gz TWFPLNPHEOFESG-UXHICEINSA-N 1 2 374.448 2.554 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000604047538 520436117 /nfs/dbraw/zinc/43/61/17/520436117.db2.gz IUNNHSASNJZLCL-KBPBESRZSA-N 1 2 361.408 2.761 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000604047538 520436127 /nfs/dbraw/zinc/43/61/27/520436127.db2.gz IUNNHSASNJZLCL-KBPBESRZSA-N 1 2 361.408 2.761 20 30 FFEDLO N#Cc1ccc(CCNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000595447088 520475771 /nfs/dbraw/zinc/47/57/71/520475771.db2.gz LCUXXLINGRQHHO-UHFFFAOYSA-N 1 2 363.465 2.985 20 30 FFEDLO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000600830731 520492398 /nfs/dbraw/zinc/49/23/98/520492398.db2.gz XNYPFELNZJDXMQ-YJBOKZPZSA-N 1 2 360.477 2.701 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CNc1ccc(C#N)cc1)c1ccccc1F ZINC000604446896 520565815 /nfs/dbraw/zinc/56/58/15/520565815.db2.gz HXPDUJWKFMDMQR-IBGZPJMESA-N 1 2 363.396 2.749 20 30 FFEDLO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595615298 520594918 /nfs/dbraw/zinc/59/49/18/520594918.db2.gz LWGBRLRIGRMEEC-MRXNPFEDSA-N 1 2 356.470 2.733 20 30 FFEDLO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595615298 520594928 /nfs/dbraw/zinc/59/49/28/520594928.db2.gz LWGBRLRIGRMEEC-MRXNPFEDSA-N 1 2 356.470 2.733 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595617730 520597337 /nfs/dbraw/zinc/59/73/37/520597337.db2.gz JJAQBMARJWINKO-YWZLYKJASA-N 1 2 359.445 2.962 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595617730 520597343 /nfs/dbraw/zinc/59/73/43/520597343.db2.gz JJAQBMARJWINKO-YWZLYKJASA-N 1 2 359.445 2.962 20 30 FFEDLO C[C@H](C(=O)NCCc1cccs1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595631817 520609934 /nfs/dbraw/zinc/60/99/34/520609934.db2.gz IQMGTLCASKDKMM-CQSZACIVSA-N 1 2 374.535 2.551 20 30 FFEDLO CS(=O)(=O)[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)C[C@H]1C(F)(F)F ZINC000595638167 520614246 /nfs/dbraw/zinc/61/42/46/520614246.db2.gz QVOUCWFMSPLBFE-CHWSQXEVSA-N 1 2 352.422 2.758 20 30 FFEDLO CS(=O)(=O)[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@H]1C(F)(F)F ZINC000595638167 520614255 /nfs/dbraw/zinc/61/42/55/520614255.db2.gz QVOUCWFMSPLBFE-CHWSQXEVSA-N 1 2 352.422 2.758 20 30 FFEDLO COC(=O)[C@H](c1cccc(OC)c1)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000595677252 520639902 /nfs/dbraw/zinc/63/99/02/520639902.db2.gz IIGMIXIROWZXML-IBGZPJMESA-N 1 2 354.406 2.792 20 30 FFEDLO COC(=O)[C@H](c1cccc(OC)c1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000595677252 520639910 /nfs/dbraw/zinc/63/99/10/520639910.db2.gz IIGMIXIROWZXML-IBGZPJMESA-N 1 2 354.406 2.792 20 30 FFEDLO C[C@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)c1cccc(C#N)c1 ZINC000610350708 520645592 /nfs/dbraw/zinc/64/55/92/520645592.db2.gz WPGPABVZCBNFGU-NSHDSACASA-N 1 2 351.332 2.877 20 30 FFEDLO C=CCCSCCNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000595725181 520673657 /nfs/dbraw/zinc/67/36/57/520673657.db2.gz HCIOXZDVKLKTTC-UHFFFAOYSA-N 1 2 354.545 2.670 20 30 FFEDLO C=CCCSCCNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000595725181 520673664 /nfs/dbraw/zinc/67/36/64/520673664.db2.gz HCIOXZDVKLKTTC-UHFFFAOYSA-N 1 2 354.545 2.670 20 30 FFEDLO COc1cccc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)n1 ZINC000595725818 520674425 /nfs/dbraw/zinc/67/44/25/520674425.db2.gz ILCKTIWTDSXSIE-UHFFFAOYSA-N 1 2 374.448 2.674 20 30 FFEDLO CCOC(=O)c1csc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)n1 ZINC000595769885 520711004 /nfs/dbraw/zinc/71/10/04/520711004.db2.gz VIFZWDZJICDUJM-UHFFFAOYSA-N 1 2 371.462 2.987 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC([C@H]3CCCCO3)CC2)c1 ZINC000595783979 520721422 /nfs/dbraw/zinc/72/14/22/520721422.db2.gz QGWQOKJXNXUVAF-LJQANCHMSA-N 1 2 362.495 2.613 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000593154877 520784592 /nfs/dbraw/zinc/78/45/92/520784592.db2.gz OHDVMCXUBSTPGI-INIZCTEOSA-N 1 2 350.394 2.662 20 30 FFEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N2CCC[C@H](CC#N)C2)cc1 ZINC000596101951 520912512 /nfs/dbraw/zinc/91/25/12/520912512.db2.gz OHWROGHGZHNFHH-UYAOXDASSA-N 1 2 370.497 2.704 20 30 FFEDLO N#Cc1cccc(C2(NC(=O)c3cccc(C[NH+]4CCOCC4)c3)CC2)c1 ZINC000610975510 520925487 /nfs/dbraw/zinc/92/54/87/520925487.db2.gz SDTOMKVOEDRTOB-UHFFFAOYSA-N 1 2 361.445 2.810 20 30 FFEDLO C[NH+](C)[C@H](CNC(=O)NCC1(C#N)CCCC1)c1c(F)cccc1F ZINC000593347857 520926433 /nfs/dbraw/zinc/92/64/33/520926433.db2.gz HVEOCRANSCDLKI-OAHLLOKOSA-N 1 2 350.413 2.951 20 30 FFEDLO Cn1cc[nH+]c1[C@H](CC(=O)Nc1n[nH]c(C2CC2)c1C#N)C(F)(F)F ZINC000601739378 520927596 /nfs/dbraw/zinc/92/75/96/520927596.db2.gz TXZXRQQURSGQFU-JTQLQIEISA-N 1 2 352.320 2.567 20 30 FFEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc(O)cc(C#N)c1 ZINC000614369709 520929211 /nfs/dbraw/zinc/92/92/11/520929211.db2.gz WNLVWQJHBUOGEU-UHFFFAOYSA-N 1 2 351.406 2.657 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1Br ZINC000611012892 520946337 /nfs/dbraw/zinc/94/63/37/520946337.db2.gz FAQWTCMHDZCBFJ-IAQYHMDHSA-N 1 2 359.227 2.589 20 30 FFEDLO Cc1ccn2cc(CNC(=O)N3CCc4c(CC#N)cccc4C3)[nH+]c2c1 ZINC000598990757 520964322 /nfs/dbraw/zinc/96/43/22/520964322.db2.gz DHWPYMYFXCCABK-UHFFFAOYSA-N 1 2 359.433 2.977 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)c(Cl)c1 ZINC000618324815 521000050 /nfs/dbraw/zinc/00/00/50/521000050.db2.gz DBLZGBVKCFCFJV-UHFFFAOYSA-N 1 2 360.889 2.736 20 30 FFEDLO CC(C)(CC#N)CNC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000599073943 521016713 /nfs/dbraw/zinc/01/67/13/521016713.db2.gz NPRBYUHFBOYCRW-UHFFFAOYSA-N 1 2 353.470 2.935 20 30 FFEDLO N#CCCN1CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)CC1 ZINC000611173647 521023580 /nfs/dbraw/zinc/02/35/80/521023580.db2.gz FHSYRJFGFCSNGU-JOCHJYFZSA-N 1 2 368.525 2.955 20 30 FFEDLO N#Cc1cc(Br)ccc1CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000593509036 521038276 /nfs/dbraw/zinc/03/82/76/521038276.db2.gz JRWBPIUARIUFKW-UHFFFAOYSA-N 1 2 373.254 2.993 20 30 FFEDLO N#Cc1cc(Br)ccc1CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000593509036 521038287 /nfs/dbraw/zinc/03/82/87/521038287.db2.gz JRWBPIUARIUFKW-UHFFFAOYSA-N 1 2 373.254 2.993 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601971597 521049413 /nfs/dbraw/zinc/04/94/13/521049413.db2.gz CXJKGNBONYYVPY-HOCLYGCPSA-N 1 2 351.397 2.678 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601971597 521049422 /nfs/dbraw/zinc/04/94/22/521049422.db2.gz CXJKGNBONYYVPY-HOCLYGCPSA-N 1 2 351.397 2.678 20 30 FFEDLO CN(C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)[C@H]1CCC[C@H]1C#N ZINC000602067232 521119716 /nfs/dbraw/zinc/11/97/16/521119716.db2.gz LROWWUJWSINPFY-BBRMVZONSA-N 1 2 365.437 2.540 20 30 FFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)CCOCC1 ZINC000599284035 521127082 /nfs/dbraw/zinc/12/70/82/521127082.db2.gz KYZWFNLSZOJYNR-MAUKXSAKSA-N 1 2 364.873 2.785 20 30 FFEDLO N#CC1(C[C@H](O)C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)CCOCC1 ZINC000599284035 521127087 /nfs/dbraw/zinc/12/70/87/521127087.db2.gz KYZWFNLSZOJYNR-MAUKXSAKSA-N 1 2 364.873 2.785 20 30 FFEDLO Cc1cc([C@@H]2C[N@H+](C[C@H](O)CC3(C#N)CCOCC3)CCO2)ccc1F ZINC000599338656 521160330 /nfs/dbraw/zinc/16/03/30/521160330.db2.gz DPLRPQVHVLQMTB-MJGOQNOKSA-N 1 2 362.445 2.579 20 30 FFEDLO Cc1cc([C@@H]2C[N@@H+](C[C@H](O)CC3(C#N)CCOCC3)CCO2)ccc1F ZINC000599338656 521160339 /nfs/dbraw/zinc/16/03/39/521160339.db2.gz DPLRPQVHVLQMTB-MJGOQNOKSA-N 1 2 362.445 2.579 20 30 FFEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c[nH]1 ZINC000611471696 521174318 /nfs/dbraw/zinc/17/43/18/521174318.db2.gz BOVHOCOTHZWXNM-UHFFFAOYSA-N 1 2 362.355 2.863 20 30 FFEDLO COc1ccc(C[N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000611516778 521197289 /nfs/dbraw/zinc/19/72/89/521197289.db2.gz YRKFOHLDPQZODM-GOSISDBHSA-N 1 2 350.422 2.589 20 30 FFEDLO COc1ccc(C[N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000611516778 521197294 /nfs/dbraw/zinc/19/72/94/521197294.db2.gz YRKFOHLDPQZODM-GOSISDBHSA-N 1 2 350.422 2.589 20 30 FFEDLO CC(C)(C#N)c1ccc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000602199730 521205309 /nfs/dbraw/zinc/20/53/09/521205309.db2.gz QPMMSWJYBCZBFY-UHFFFAOYSA-N 1 2 362.477 2.883 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000614963362 521213759 /nfs/dbraw/zinc/21/37/59/521213759.db2.gz AUDSSNDXBNSEBG-HNNXBMFYSA-N 1 2 355.463 2.901 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000614963362 521213768 /nfs/dbraw/zinc/21/37/68/521213768.db2.gz AUDSSNDXBNSEBG-HNNXBMFYSA-N 1 2 355.463 2.901 20 30 FFEDLO CNC(=O)c1cccc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000611552150 521215116 /nfs/dbraw/zinc/21/51/16/521215116.db2.gz QKKXKRSYDCLLON-HXUWFJFHSA-N 1 2 366.440 2.568 20 30 FFEDLO CC(C)N(C(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C(C)C ZINC000611552110 521215474 /nfs/dbraw/zinc/21/54/74/521215474.db2.gz PASCGCXIMPPIMD-IBGZPJMESA-N 1 2 360.477 2.653 20 30 FFEDLO CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552021 521216004 /nfs/dbraw/zinc/21/60/04/521216004.db2.gz ZSNIVPDNUSWZCL-XLIONFOSSA-N 1 2 374.504 2.901 20 30 FFEDLO C=CCCC1(CNC(=O)N2CC[C@H]([NH+]3CCN(CC)CC3)C2)CCCC1 ZINC000596684822 521218050 /nfs/dbraw/zinc/21/80/50/521218050.db2.gz ZQKURMOHKYQSSJ-IBGZPJMESA-N 1 2 362.562 2.934 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000599678895 521394034 /nfs/dbraw/zinc/39/40/34/521394034.db2.gz YZNWRROCPYOFBA-UHFFFAOYSA-N 1 2 350.378 2.658 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000599678895 521394038 /nfs/dbraw/zinc/39/40/38/521394038.db2.gz YZNWRROCPYOFBA-UHFFFAOYSA-N 1 2 350.378 2.658 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@](F)(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000615547380 521439186 /nfs/dbraw/zinc/43/91/86/521439186.db2.gz JEYRLKPXKULPNF-YQQAZPJKSA-N 1 2 368.815 2.871 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)N2CC[C@@](F)(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000615547380 521439195 /nfs/dbraw/zinc/43/91/95/521439195.db2.gz JEYRLKPXKULPNF-YQQAZPJKSA-N 1 2 368.815 2.871 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000597022504 521452436 /nfs/dbraw/zinc/45/24/36/521452436.db2.gz QISRJLLXANSTKV-NHCUHLMSSA-N 1 2 369.509 2.720 20 30 FFEDLO Cc1ccnc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)c1C#N ZINC000612080282 521471441 /nfs/dbraw/zinc/47/14/41/521471441.db2.gz UAXBBJUFJGPYRY-SFHVURJKSA-N 1 2 356.857 2.771 20 30 FFEDLO COc1cc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)c(F)cc1C#N ZINC000599817110 521489393 /nfs/dbraw/zinc/48/93/93/521489393.db2.gz JJZIGSJGJVJZNQ-UHFFFAOYSA-N 1 2 369.400 2.891 20 30 FFEDLO N#CCc1cccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000619473146 521586411 /nfs/dbraw/zinc/58/64/11/521586411.db2.gz KYPQYADNCBADBH-SFHVURJKSA-N 1 2 373.478 2.851 20 30 FFEDLO CCOc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000597231679 521586871 /nfs/dbraw/zinc/58/68/71/521586871.db2.gz ZYGCBOIIRVZBLX-MGPUTAFESA-N 1 2 359.470 2.676 20 30 FFEDLO CCOc1cc(C[N@H+]2CC[C@](C)(C#N)C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000597231679 521586875 /nfs/dbraw/zinc/58/68/75/521586875.db2.gz ZYGCBOIIRVZBLX-MGPUTAFESA-N 1 2 359.470 2.676 20 30 FFEDLO CCOc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ccc1O[C@H](C)C(=O)N(C)C ZINC000597231677 521587228 /nfs/dbraw/zinc/58/72/28/521587228.db2.gz ZYGCBOIIRVZBLX-FOIQADDNSA-N 1 2 359.470 2.676 20 30 FFEDLO CCOc1cc(C[N@H+]2CC[C@](C)(C#N)C2)ccc1O[C@H](C)C(=O)N(C)C ZINC000597231677 521587234 /nfs/dbraw/zinc/58/72/34/521587234.db2.gz ZYGCBOIIRVZBLX-FOIQADDNSA-N 1 2 359.470 2.676 20 30 FFEDLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000616135470 521628247 /nfs/dbraw/zinc/62/82/47/521628247.db2.gz SNEPUITVESUZJC-OAHLLOKOSA-N 1 2 352.413 2.847 20 30 FFEDLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000616135470 521628250 /nfs/dbraw/zinc/62/82/50/521628250.db2.gz SNEPUITVESUZJC-OAHLLOKOSA-N 1 2 352.413 2.847 20 30 FFEDLO C=C[C@@H]([NH2+]CC1(c2cccc(Br)c2)CCOCC1)C(=O)OC ZINC000619701148 521831639 /nfs/dbraw/zinc/83/16/39/521831639.db2.gz YXGQYJAWUCTXJT-OAHLLOKOSA-N 1 2 368.271 2.815 20 30 FFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000619720643 521836901 /nfs/dbraw/zinc/83/69/01/521836901.db2.gz NYXZFKZJIRIYCI-HNNXBMFYSA-N 1 2 373.371 2.682 20 30 FFEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1Cl ZINC000619769214 521862917 /nfs/dbraw/zinc/86/29/17/521862917.db2.gz JZBCRDCAOUFDHY-UHFFFAOYSA-N 1 2 369.856 2.634 20 30 FFEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784693 521871533 /nfs/dbraw/zinc/87/15/33/521871533.db2.gz KQHPPLMFJPASNR-BEFAXECRSA-N 1 2 374.916 2.970 20 30 FFEDLO C=CC[C@@H]1CCN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000623401705 521993327 /nfs/dbraw/zinc/99/33/27/521993327.db2.gz LIFWDKSCBXATON-QGZVFWFLSA-N 1 2 370.497 2.697 20 30 FFEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1CC#Cc1cccc(Cl)c1 ZINC000625496391 523480781 /nfs/dbraw/zinc/48/07/81/523480781.db2.gz PFQVSGYVCYLEPW-LJQANCHMSA-N 1 2 351.841 2.796 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NCCNc2ccc3ccccc3[nH+]2)cc1F ZINC000489490639 561412677 /nfs/dbraw/zinc/41/26/77/561412677.db2.gz CQZYXCWKFPGYOU-UHFFFAOYSA-N 1 2 370.409 2.636 20 30 FFEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736199121 599307358 /nfs/dbraw/zinc/30/73/58/599307358.db2.gz NVMKXKOZBHSWTO-MRXNPFEDSA-N 1 2 373.464 2.617 20 30 FFEDLO Clc1cc(-c2nn[nH]n2)cc(N=NCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000826350057 608539124 /nfs/dbraw/zinc/53/91/24/608539124.db2.gz GLECVBIMTMYIKU-UHFFFAOYSA-N 1 2 365.788 2.547 20 30 FFEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc(CC#N)cc2Cl)CC1 ZINC001164918651 721820883 /nfs/dbraw/zinc/82/08/83/721820883.db2.gz GHSHZZOQASWZBN-UHFFFAOYSA-N 1 2 370.888 2.747 20 30 FFEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1=S ZINC000155466377 728829466 /nfs/dbraw/zinc/82/94/66/728829466.db2.gz NZWTVKLOWIYQMZ-HOCLYGCPSA-N 1 2 359.499 2.855 20 30 FFEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1=S ZINC000155466377 728829471 /nfs/dbraw/zinc/82/94/71/728829471.db2.gz NZWTVKLOWIYQMZ-HOCLYGCPSA-N 1 2 359.499 2.855 20 30 FFEDLO Cc1ccc(F)c(NC(=S)N[NH+]=Cc2ccc(N(C)CCO)cc2)c1 ZINC000745005405 735390953 /nfs/dbraw/zinc/39/09/53/735390953.db2.gz DEFZPVPCSFEYNF-UHFFFAOYSA-N 1 2 360.458 2.883 20 30 FFEDLO NC(=[NH+]OCC(=O)Nc1ccc(Br)cc1F)c1ccccc1 ZINC000005295544 727780843 /nfs/dbraw/zinc/78/08/43/727780843.db2.gz FVBONWPBWQYTHC-UHFFFAOYSA-N 1 2 366.190 2.864 20 30 FFEDLO COc1cc(NC(=O)CO[NH+]=C(N)c2ccccc2)c(OC)cc1Cl ZINC000011233986 727809458 /nfs/dbraw/zinc/80/94/58/727809458.db2.gz TZZDGYRICXXWDA-UHFFFAOYSA-N 1 2 363.801 2.633 20 30 FFEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)cc1 ZINC000093416495 728476071 /nfs/dbraw/zinc/47/60/71/728476071.db2.gz SWMBODXZCYYHBM-ZDUSSCGKSA-N 1 2 359.367 2.995 20 30 FFEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000246631667 729588703 /nfs/dbraw/zinc/58/87/03/729588703.db2.gz WEEYJLOWELMTSG-CABCVRRESA-N 1 2 350.894 2.776 20 30 FFEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000246631667 729588706 /nfs/dbraw/zinc/58/87/06/729588706.db2.gz WEEYJLOWELMTSG-CABCVRRESA-N 1 2 350.894 2.776 20 30 FFEDLO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]CCC#N ZINC000425983534 729865232 /nfs/dbraw/zinc/86/52/32/729865232.db2.gz VJVWAQYAUINKKE-UHFFFAOYSA-N 1 2 355.232 2.703 20 30 FFEDLO CCN(CC)c1ncc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)s1 ZINC000862421529 730700419 /nfs/dbraw/zinc/70/04/19/730700419.db2.gz XNHIZEVMTZMBQT-UHFFFAOYSA-N 1 2 356.499 2.578 20 30 FFEDLO CN(C)c1cc(Cl)cc(Cl)c1C=[NH+]N[C@H]1CCCS(=O)(=O)C1 ZINC000863132980 730752409 /nfs/dbraw/zinc/75/24/09/730752409.db2.gz VDLFYYXTSOVTKN-NSHDSACASA-N 1 2 364.298 2.560 20 30 FFEDLO N#Cc1cccc([C@@H](NC(=O)NCCCn2cc[nH+]c2)C(F)(F)F)c1 ZINC000864429061 730844711 /nfs/dbraw/zinc/84/47/11/730844711.db2.gz MQEXPFFPVBXREL-CQSZACIVSA-N 1 2 351.332 2.748 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2sccc2CC#N)cc1 ZINC000869410006 731396762 /nfs/dbraw/zinc/39/67/62/731396762.db2.gz AYGPNQCFNKVUNR-INIZCTEOSA-N 1 2 355.463 2.827 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2sccc2CC#N)cc1 ZINC000869410006 731396763 /nfs/dbraw/zinc/39/67/63/731396763.db2.gz AYGPNQCFNKVUNR-INIZCTEOSA-N 1 2 355.463 2.827 20 30 FFEDLO C[NH+]1CCN(c2cccc(Cl)c2C=[NH+][N-]c2ncncc2Cl)CC1 ZINC000780275583 738530244 /nfs/dbraw/zinc/53/02/44/738530244.db2.gz ROAGNQMIXKDDBZ-UHFFFAOYSA-N 1 2 365.268 2.981 20 30 FFEDLO CC(C)(CNC(=O)CSc1c(Cl)cccc1C#N)[NH+]1CCOCC1 ZINC000871692850 731667106 /nfs/dbraw/zinc/66/71/06/731667106.db2.gz VPXWHYMOIFOYKA-UHFFFAOYSA-N 1 2 367.902 2.531 20 30 FFEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)cc1 ZINC000877775553 732427809 /nfs/dbraw/zinc/42/78/09/732427809.db2.gz NHCZSNHHMWCBHF-WBMJQRKESA-N 1 2 355.360 2.620 20 30 FFEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)cc1 ZINC000877775553 732427810 /nfs/dbraw/zinc/42/78/10/732427810.db2.gz NHCZSNHHMWCBHF-WBMJQRKESA-N 1 2 355.360 2.620 20 30 FFEDLO C#CC[N@@H+](CC(OC)OC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000781886886 738667999 /nfs/dbraw/zinc/66/79/99/738667999.db2.gz VRMQTSVWADDOAG-CQSZACIVSA-N 1 2 354.244 2.827 20 30 FFEDLO C#CC[N@H+](CC(OC)OC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000781886886 738668002 /nfs/dbraw/zinc/66/80/02/738668002.db2.gz VRMQTSVWADDOAG-CQSZACIVSA-N 1 2 354.244 2.827 20 30 FFEDLO C#CCC1(O)CC[NH+](Cc2cnc3c(C)cc(Br)cn23)CC1 ZINC000895670356 735038572 /nfs/dbraw/zinc/03/85/72/735038572.db2.gz QOSYBUGJQNLWFT-UHFFFAOYSA-N 1 2 362.271 2.755 20 30 FFEDLO CCN(CC)c1ccc(C=[NH+]NC(=S)NC[C@H]2CCCO2)cc1F ZINC000739402068 735050888 /nfs/dbraw/zinc/05/08/88/735050888.db2.gz ZOEMFHDKIKONNX-CQSZACIVSA-N 1 2 352.479 2.649 20 30 FFEDLO CC(=Nn1cc(Br)cn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000752746666 736009108 /nfs/dbraw/zinc/00/91/08/736009108.db2.gz SEJRYKCIBTUEFR-MRXNPFEDSA-N 1 2 363.259 2.771 20 30 FFEDLO CC(=Nn1cc(Br)cn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000752746666 736009110 /nfs/dbraw/zinc/00/91/10/736009110.db2.gz SEJRYKCIBTUEFR-MRXNPFEDSA-N 1 2 363.259 2.771 20 30 FFEDLO N#Cc1sccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000903497186 736102322 /nfs/dbraw/zinc/10/23/22/736102322.db2.gz FHVLIDJJHKFUTA-ZDUSSCGKSA-N 1 2 367.883 2.608 20 30 FFEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000757659002 736416935 /nfs/dbraw/zinc/41/69/35/736416935.db2.gz WXGFJHJVUWSLMZ-VIFPVBQESA-N 1 2 366.252 2.545 20 30 FFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cccc(C#CCO)c2)CC1 ZINC000907413647 736623836 /nfs/dbraw/zinc/62/38/36/736623836.db2.gz XYZDMEYSUPGVQE-INIZCTEOSA-N 1 2 354.475 2.611 20 30 FFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000769961146 737587223 /nfs/dbraw/zinc/58/72/23/737587223.db2.gz OUOLMHOXWHMZFQ-LBPRGKRZSA-N 1 2 359.451 2.719 20 30 FFEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000769961146 737587228 /nfs/dbraw/zinc/58/72/28/737587228.db2.gz OUOLMHOXWHMZFQ-LBPRGKRZSA-N 1 2 359.451 2.719 20 30 FFEDLO C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ncc(Br)cn1 ZINC000931870840 739344933 /nfs/dbraw/zinc/34/49/33/739344933.db2.gz PXOCNBALHKVDRN-UHFFFAOYSA-N 1 2 374.242 2.571 20 30 FFEDLO C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ncc(Br)cn1 ZINC000931870840 739344936 /nfs/dbraw/zinc/34/49/36/739344936.db2.gz PXOCNBALHKVDRN-UHFFFAOYSA-N 1 2 374.242 2.571 20 30 FFEDLO COc1cc(NC(=O)NCc2nc(C[NH+](C)C)cs2)c(F)cc1C#N ZINC000931983897 739367337 /nfs/dbraw/zinc/36/73/37/739367337.db2.gz NFHDWXVXBJTIFU-UHFFFAOYSA-N 1 2 363.418 2.546 20 30 FFEDLO CC(C)C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccn1 ZINC000932449565 739454454 /nfs/dbraw/zinc/45/44/54/739454454.db2.gz PMLSDHWTLYLFSD-UHFFFAOYSA-N 1 2 357.479 2.885 20 30 FFEDLO CC(C)C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccn1 ZINC000932449565 739454458 /nfs/dbraw/zinc/45/44/58/739454458.db2.gz PMLSDHWTLYLFSD-UHFFFAOYSA-N 1 2 357.479 2.885 20 30 FFEDLO CCn1c[nH+]c2c1CCN(CC(=O)Nc1ccccc1SCC#N)C2 ZINC000933263268 739591018 /nfs/dbraw/zinc/59/10/18/739591018.db2.gz QWGQQENEUNGOSQ-UHFFFAOYSA-N 1 2 355.467 2.515 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C[C@H](C)N1CC(F)(F)F ZINC000934793299 739844009 /nfs/dbraw/zinc/84/40/09/739844009.db2.gz LHQGDWBHTNQBDY-KXUCPTDWSA-N 1 2 372.300 2.892 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C[C@H](C)N1CC(F)(F)F ZINC000934793299 739844013 /nfs/dbraw/zinc/84/40/13/739844013.db2.gz LHQGDWBHTNQBDY-KXUCPTDWSA-N 1 2 372.300 2.892 20 30 FFEDLO COc1ccc(C[C@H](C)C[N@H+](C)Cn2nc(CC#N)n(C)c2=S)cc1 ZINC000794636741 739913717 /nfs/dbraw/zinc/91/37/17/739913717.db2.gz MCENVFNLVOXBNU-AWEZNQCLSA-N 1 2 359.499 2.794 20 30 FFEDLO COc1ccc(C[C@H](C)C[N@@H+](C)Cn2nc(CC#N)n(C)c2=S)cc1 ZINC000794636741 739913719 /nfs/dbraw/zinc/91/37/19/739913719.db2.gz MCENVFNLVOXBNU-AWEZNQCLSA-N 1 2 359.499 2.794 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1csc(CC)n1 ZINC000960884862 740626479 /nfs/dbraw/zinc/62/64/79/740626479.db2.gz RSOFDIIZFQRMMM-BBWFWOEESA-N 1 2 363.527 2.719 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1csc(CC)n1 ZINC000960884862 740626482 /nfs/dbraw/zinc/62/64/82/740626482.db2.gz RSOFDIIZFQRMMM-BBWFWOEESA-N 1 2 363.527 2.719 20 30 FFEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000801910649 740662762 /nfs/dbraw/zinc/66/27/62/740662762.db2.gz OKFRVYSQRMAZEV-LBPRGKRZSA-N 1 2 356.253 2.680 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000801986619 740669608 /nfs/dbraw/zinc/66/96/08/740669608.db2.gz CEGASHFDSISKNR-HOCLYGCPSA-N 1 2 351.397 2.944 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000801986619 740669609 /nfs/dbraw/zinc/66/96/09/740669609.db2.gz CEGASHFDSISKNR-HOCLYGCPSA-N 1 2 351.397 2.944 20 30 FFEDLO C[NH+]1CCN(c2ccc(Nc3ccncc3C#N)cc2Br)CC1 ZINC000804646429 740891494 /nfs/dbraw/zinc/89/14/94/740891494.db2.gz CHCJOXVHEVNRID-UHFFFAOYSA-N 1 2 372.270 2.633 20 30 FFEDLO C=CCN(C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)C(C)C ZINC000808060764 741181955 /nfs/dbraw/zinc/18/19/55/741181955.db2.gz RABMIYRMZADFJR-IRXDYDNUSA-N 1 2 363.889 2.624 20 30 FFEDLO C=CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)C(C)C ZINC000808060764 741181956 /nfs/dbraw/zinc/18/19/56/741181956.db2.gz RABMIYRMZADFJR-IRXDYDNUSA-N 1 2 363.889 2.624 20 30 FFEDLO C#C[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000812183655 741593594 /nfs/dbraw/zinc/59/35/94/741593594.db2.gz GJOYSGXQMJDPMD-KSZLIROESA-N 1 2 363.889 2.669 20 30 FFEDLO C#C[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000812183655 741593597 /nfs/dbraw/zinc/59/35/97/741593597.db2.gz GJOYSGXQMJDPMD-KSZLIROESA-N 1 2 363.889 2.669 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@H+](CC(=C)Br)CC1 ZINC001000694534 742093513 /nfs/dbraw/zinc/09/35/13/742093513.db2.gz DCMGUXOMERNSIX-CVEARBPZSA-N 1 2 369.303 2.625 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@@H+](CC(=C)Br)CC1 ZINC001000694534 742093515 /nfs/dbraw/zinc/09/35/15/742093515.db2.gz DCMGUXOMERNSIX-CVEARBPZSA-N 1 2 369.303 2.625 20 30 FFEDLO C=C(Cl)CSc1nc(C)c(CC(=O)NCCc2[nH]cc[nH+]2)s1 ZINC000819265068 742363996 /nfs/dbraw/zinc/36/39/96/742363996.db2.gz AMELCSROSYYWRG-UHFFFAOYSA-N 1 2 356.904 2.921 20 30 FFEDLO COc1ccc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1C#N ZINC000821129904 742592693 /nfs/dbraw/zinc/59/26/93/742592693.db2.gz FAWNQGMZZNIOIM-AWEZNQCLSA-N 1 2 352.316 2.573 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1csc(C)n1 ZINC001024444256 742726569 /nfs/dbraw/zinc/72/65/69/742726569.db2.gz YLWPIVHSVVBAQC-KSZLIROESA-N 1 2 363.527 2.903 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1csc(C)n1 ZINC001024444256 742726572 /nfs/dbraw/zinc/72/65/72/742726572.db2.gz YLWPIVHSVVBAQC-KSZLIROESA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1csc(C)n1 ZINC001024702674 742734741 /nfs/dbraw/zinc/73/47/41/742734741.db2.gz ZRXSCCDMHCFDBX-BZSNNMDCSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1csc(C)n1 ZINC001024702674 742734744 /nfs/dbraw/zinc/73/47/44/742734744.db2.gz ZRXSCCDMHCFDBX-BZSNNMDCSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2c(F)cccc2F)C1 ZINC001031989925 742854273 /nfs/dbraw/zinc/85/42/73/742854273.db2.gz FSKFSGXFXJJCSW-MRRJBJDNSA-N 1 2 350.409 2.665 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccncc2Cl)C1 ZINC001032040392 742857722 /nfs/dbraw/zinc/85/77/22/742857722.db2.gz AKDUGDRFRKJKME-WMZOPIPTSA-N 1 2 363.889 2.654 20 30 FFEDLO C#CCOc1ccc(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000823374264 742893287 /nfs/dbraw/zinc/89/32/87/742893287.db2.gz RVPZNRQRHCCGSN-OAHLLOKOSA-N 1 2 351.328 2.705 20 30 FFEDLO CC(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038278244 742966777 /nfs/dbraw/zinc/96/67/77/742966777.db2.gz WAQWHYNDZZOWKV-WBAXXEDZSA-N 1 2 361.511 2.761 20 30 FFEDLO CC(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038278244 742966782 /nfs/dbraw/zinc/96/67/82/742966782.db2.gz WAQWHYNDZZOWKV-WBAXXEDZSA-N 1 2 361.511 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC001046632388 743332079 /nfs/dbraw/zinc/33/20/79/743332079.db2.gz XSNZTSLLILVXOE-JTDSTZFVSA-N 1 2 361.511 2.692 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC001046632388 743332085 /nfs/dbraw/zinc/33/20/85/743332085.db2.gz XSNZTSLLILVXOE-JTDSTZFVSA-N 1 2 361.511 2.692 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCO[C@H]1CC ZINC001049609204 743476029 /nfs/dbraw/zinc/47/60/29/743476029.db2.gz GHILYIDJOQNWBJ-QXSJWSMHSA-N 1 2 371.319 2.775 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCO[C@H]1CC ZINC001049609204 743476031 /nfs/dbraw/zinc/47/60/31/743476031.db2.gz GHILYIDJOQNWBJ-QXSJWSMHSA-N 1 2 371.319 2.775 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001049739901 743484870 /nfs/dbraw/zinc/48/48/70/743484870.db2.gz SAZNMGBAWAMELV-SUJAAXHWSA-N 1 2 369.303 2.528 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001049739901 743484875 /nfs/dbraw/zinc/48/48/75/743484875.db2.gz SAZNMGBAWAMELV-SUJAAXHWSA-N 1 2 369.303 2.528 20 30 FFEDLO C#CC1CC[NH+](Cc2nc3sc(C(=O)OCC)c(C)c3c(N)n2)CC1 ZINC000830345740 745341700 /nfs/dbraw/zinc/34/17/00/745341700.db2.gz QQEHMRCDZRKSKE-UHFFFAOYSA-N 1 2 358.467 2.604 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000831695400 745570154 /nfs/dbraw/zinc/57/01/54/745570154.db2.gz PSVPFKWSSGSQQT-HNNXBMFYSA-N 1 2 361.829 2.612 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nc3ccc(Br)cc3s2)C1 ZINC000843425320 747834275 /nfs/dbraw/zinc/83/42/75/747834275.db2.gz KNTFZJAPEDKJNG-CQSZACIVSA-N 1 2 352.257 2.909 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nc3ccc(Br)cc3s2)C1 ZINC000843425320 747834281 /nfs/dbraw/zinc/83/42/81/747834281.db2.gz KNTFZJAPEDKJNG-CQSZACIVSA-N 1 2 352.257 2.909 20 30 FFEDLO CSc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)c1 ZINC000844369458 748014168 /nfs/dbraw/zinc/01/41/68/748014168.db2.gz XPAOYKKGEWZNMS-GOSISDBHSA-N 1 2 355.463 2.884 20 30 FFEDLO CSc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c1 ZINC000844369458 748014175 /nfs/dbraw/zinc/01/41/75/748014175.db2.gz XPAOYKKGEWZNMS-GOSISDBHSA-N 1 2 355.463 2.884 20 30 FFEDLO C[C@H](c1ncc(Br)cn1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844372006 748015424 /nfs/dbraw/zinc/01/54/24/748015424.db2.gz TYJQBOOWMLJMCX-ABAIWWIYSA-N 1 2 361.243 2.837 20 30 FFEDLO C[C@H](c1ncc(Br)cn1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844372006 748015430 /nfs/dbraw/zinc/01/54/30/748015430.db2.gz TYJQBOOWMLJMCX-ABAIWWIYSA-N 1 2 361.243 2.837 20 30 FFEDLO C#CCC[N@@H+](CCOC)Cc1ccc(OC)c(OC)c1Br ZINC000852751702 749944577 /nfs/dbraw/zinc/94/45/77/749944577.db2.gz JQPMFTVQPGOUQO-UHFFFAOYSA-N 1 2 356.260 2.938 20 30 FFEDLO C#CCC[N@H+](CCOC)Cc1ccc(OC)c(OC)c1Br ZINC000852751702 749944581 /nfs/dbraw/zinc/94/45/81/749944581.db2.gz JQPMFTVQPGOUQO-UHFFFAOYSA-N 1 2 356.260 2.938 20 30 FFEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(C(=O)OC)c(Br)c1C ZINC000853598765 750107279 /nfs/dbraw/zinc/10/72/79/750107279.db2.gz WKDMZVKRVCASQU-TXEJJXNPSA-N 1 2 354.248 2.881 20 30 FFEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(C(=O)OC)c(Br)c1C ZINC000853598765 750107283 /nfs/dbraw/zinc/10/72/83/750107283.db2.gz WKDMZVKRVCASQU-TXEJJXNPSA-N 1 2 354.248 2.881 20 30 FFEDLO C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)CC1 ZINC001602709915 971348038 /nfs/dbraw/zinc/34/80/38/971348038.db2.gz LGMVMXLWUCAKLC-INIZCTEOSA-N 1 2 361.486 2.711 20 30 FFEDLO Cc1ccc([C@H](C)CC[N@@H+]2C[C@]3(F)CN(CCCC#N)C(=O)[C@]3(F)C2)o1 ZINC001275855815 1013101147 /nfs/dbraw/zinc/10/11/47/1013101147.db2.gz WAQGLHDZWHVVLK-MDASCCDHSA-N 1 2 365.424 2.960 20 30 FFEDLO Cc1ccc([C@H](C)CC[N@H+]2C[C@]3(F)CN(CCCC#N)C(=O)[C@]3(F)C2)o1 ZINC001275855815 1013101154 /nfs/dbraw/zinc/10/11/54/1013101154.db2.gz WAQGLHDZWHVVLK-MDASCCDHSA-N 1 2 365.424 2.960 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3cn4cccc(F)c4n3)C2)nc1 ZINC000896653249 971652999 /nfs/dbraw/zinc/65/29/99/971652999.db2.gz CXRKGDAONCRZQG-OAHLLOKOSA-N 1 2 350.401 2.817 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CCC[N@H+](Cc3cn4cccc(F)c4n3)C2)nc1 ZINC000896653249 971653004 /nfs/dbraw/zinc/65/30/04/971653004.db2.gz CXRKGDAONCRZQG-OAHLLOKOSA-N 1 2 350.401 2.817 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nc(C)cs2)C1 ZINC001112094221 971753544 /nfs/dbraw/zinc/75/35/44/971753544.db2.gz XZUXEMAOGYVTLJ-CHWSQXEVSA-N 1 2 359.417 2.734 20 30 FFEDLO C=CCc1cc(C[N@H+](C)CC(=O)Nc2cc(C)ccn2)cc(OC)c1O ZINC000092761772 971774843 /nfs/dbraw/zinc/77/48/43/971774843.db2.gz YFJGGRCDRYFQGD-UHFFFAOYSA-N 1 2 355.438 2.903 20 30 FFEDLO C=CCc1cc(C[N@@H+](C)CC(=O)Nc2cc(C)ccn2)cc(OC)c1O ZINC000092761772 971774847 /nfs/dbraw/zinc/77/48/47/971774847.db2.gz YFJGGRCDRYFQGD-UHFFFAOYSA-N 1 2 355.438 2.903 20 30 FFEDLO C[C@@H](ON=C(N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000194667490 971887209 /nfs/dbraw/zinc/88/72/09/971887209.db2.gz QUJGXKAYEDQLQJ-UZLBHIALSA-N 1 2 364.449 2.809 20 30 FFEDLO C[C@@H](ON=C(N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000194667490 971887217 /nfs/dbraw/zinc/88/72/17/971887217.db2.gz QUJGXKAYEDQLQJ-UZLBHIALSA-N 1 2 364.449 2.809 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C4CC4)o3)CC[C@@H]2C1 ZINC001088064785 972066314 /nfs/dbraw/zinc/06/63/14/972066314.db2.gz VIIRSKAYSPEPCH-CVEARBPZSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C4CC4)o3)CC[C@@H]2C1 ZINC001088064785 972066317 /nfs/dbraw/zinc/06/63/17/972066317.db2.gz VIIRSKAYSPEPCH-CVEARBPZSA-N 1 2 358.486 2.830 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C(C)(C)C)CC[C@@H]2C1 ZINC001088066372 972068665 /nfs/dbraw/zinc/06/86/65/972068665.db2.gz HKFRAEUOTOQDIL-CVEARBPZSA-N 1 2 359.518 2.526 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C(C)(C)C)CC[C@@H]2C1 ZINC001088066372 972068667 /nfs/dbraw/zinc/06/86/67/972068667.db2.gz HKFRAEUOTOQDIL-CVEARBPZSA-N 1 2 359.518 2.526 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC000975018602 972314459 /nfs/dbraw/zinc/31/44/59/972314459.db2.gz QIGZGTFTNNJJQG-CFCCAZDESA-N 1 2 366.465 2.838 20 30 FFEDLO COC(C)(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(C#N)ccc2F)C1=O ZINC001275950064 1013218782 /nfs/dbraw/zinc/21/87/82/1013218782.db2.gz YGJNVWWUWLVBCL-HXUWFJFHSA-N 1 2 359.445 2.689 20 30 FFEDLO COC(C)(C)CN1CC[C@]2(CCC[N@H+]2Cc2cc(C#N)ccc2F)C1=O ZINC001275950064 1013218787 /nfs/dbraw/zinc/21/87/87/1013218787.db2.gz YGJNVWWUWLVBCL-HXUWFJFHSA-N 1 2 359.445 2.689 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2nc(C)oc2C)C1 ZINC000970561513 961700406 /nfs/dbraw/zinc/70/04/06/961700406.db2.gz YFIGGXVGWPODQQ-IXDGSTSKSA-N 1 2 361.486 2.599 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cc(F)ccc2F)C1 ZINC000970570153 961736082 /nfs/dbraw/zinc/73/60/82/961736082.db2.gz HJWQVFYCYZTZKD-IXDGSTSKSA-N 1 2 364.436 2.883 20 30 FFEDLO CCOC(=O)C[N@H+](CCc1ccccc1)C[C@H](O)c1cccc(C#N)c1 ZINC001167330060 961949730 /nfs/dbraw/zinc/94/97/30/961949730.db2.gz SGNOSLTWJIQCLA-FQEVSTJZSA-N 1 2 352.434 2.699 20 30 FFEDLO CCOC(=O)C[N@@H+](CCc1ccccc1)C[C@H](O)c1cccc(C#N)c1 ZINC001167330060 961949736 /nfs/dbraw/zinc/94/97/36/961949736.db2.gz SGNOSLTWJIQCLA-FQEVSTJZSA-N 1 2 352.434 2.699 20 30 FFEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)sc2C1 ZINC001175070394 1013384202 /nfs/dbraw/zinc/38/42/02/1013384202.db2.gz SPWCKKOTHZFPDB-RXMXQMHTSA-N 1 2 372.538 2.565 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1noc(-c2ccccc2)n1 ZINC001087134557 963061698 /nfs/dbraw/zinc/06/16/98/963061698.db2.gz WQAOTANBDLSVJM-VYDXJSESSA-N 1 2 367.453 2.613 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110183485 1013420337 /nfs/dbraw/zinc/42/03/37/1013420337.db2.gz WJIDUHNQZGYLOS-BIGGFVEDSA-N 1 2 357.429 2.510 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110183485 1013420339 /nfs/dbraw/zinc/42/03/39/1013420339.db2.gz WJIDUHNQZGYLOS-BIGGFVEDSA-N 1 2 357.429 2.510 20 30 FFEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)CCCCC1 ZINC000077381806 963716551 /nfs/dbraw/zinc/71/65/51/963716551.db2.gz CYWUWLMEJMEOLR-MRXNPFEDSA-N 1 2 355.438 2.895 20 30 FFEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)CCCCC1 ZINC000077381806 963716562 /nfs/dbraw/zinc/71/65/62/963716562.db2.gz CYWUWLMEJMEOLR-MRXNPFEDSA-N 1 2 355.438 2.895 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+]([C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000891398454 963840528 /nfs/dbraw/zinc/84/05/28/963840528.db2.gz CQXSIKCPMWYUJV-IPMKNSEASA-N 1 2 359.445 2.503 20 30 FFEDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC001175444890 1013482549 /nfs/dbraw/zinc/48/25/49/1013482549.db2.gz QHAROKHGHIUZDA-MRXNPFEDSA-N 1 2 364.449 2.716 20 30 FFEDLO C[C@H](C(=O)NCc1ccccc1F)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001175444013 1013481217 /nfs/dbraw/zinc/48/12/17/1013481217.db2.gz HEPDFUAHFQAOKW-MRXNPFEDSA-N 1 2 366.440 2.524 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c(C)nn1 ZINC001095467796 1013487147 /nfs/dbraw/zinc/48/71/47/1013487147.db2.gz ZZUPJLSPBFLGDL-HOJAQTOUSA-N 1 2 361.449 2.500 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c(C)nn1 ZINC001095467796 1013487149 /nfs/dbraw/zinc/48/71/49/1013487149.db2.gz ZZUPJLSPBFLGDL-HOJAQTOUSA-N 1 2 361.449 2.500 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)cc(F)c1 ZINC001111489593 964483480 /nfs/dbraw/zinc/48/34/80/964483480.db2.gz DWMYWUMXSYUDJP-BTPDRXCOSA-N 1 2 350.409 2.777 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)cc(F)c1 ZINC001111489593 964483488 /nfs/dbraw/zinc/48/34/88/964483488.db2.gz DWMYWUMXSYUDJP-BTPDRXCOSA-N 1 2 350.409 2.777 20 30 FFEDLO C=CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)[C@H](C)COC ZINC000664555010 964661528 /nfs/dbraw/zinc/66/15/28/964661528.db2.gz MZSJEJMLXAWGTM-FSPWUOQZSA-N 1 2 367.440 2.943 20 30 FFEDLO C=CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)[C@H](C)COC ZINC000664555010 964661532 /nfs/dbraw/zinc/66/15/32/964661532.db2.gz MZSJEJMLXAWGTM-FSPWUOQZSA-N 1 2 367.440 2.943 20 30 FFEDLO CC(C)[C@@H](C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)N1CCCC1=O ZINC000328877410 964973194 /nfs/dbraw/zinc/97/31/94/964973194.db2.gz IOWFQOIYIQBFML-IBGZPJMESA-N 1 2 359.470 2.754 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC001087467634 965120889 /nfs/dbraw/zinc/12/08/89/965120889.db2.gz HLWWEKWRWLONKQ-UYAOXDASSA-N 1 2 368.456 2.824 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC001087467634 965120901 /nfs/dbraw/zinc/12/09/01/965120901.db2.gz HLWWEKWRWLONKQ-UYAOXDASSA-N 1 2 368.456 2.824 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ncoc2C2CC2)C1 ZINC001087469035 965288357 /nfs/dbraw/zinc/28/83/57/965288357.db2.gz FLNNRUQLBJPSLE-QZTJIDSGSA-N 1 2 367.424 2.912 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ncoc2C2CC2)C1 ZINC001087469035 965288369 /nfs/dbraw/zinc/28/83/69/965288369.db2.gz FLNNRUQLBJPSLE-QZTJIDSGSA-N 1 2 367.424 2.912 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC2(C[C@H]2C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001270611444 965294958 /nfs/dbraw/zinc/29/49/58/965294958.db2.gz SVYUOTGPHMKOMZ-AWEZNQCLSA-N 1 2 352.438 2.724 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2nocc2C)C1 ZINC001087471421 965383529 /nfs/dbraw/zinc/38/35/29/965383529.db2.gz CUOGGGBYFXKJLU-OALUTQOASA-N 1 2 367.449 2.603 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2nocc2C)C1 ZINC001087471421 965383542 /nfs/dbraw/zinc/38/35/42/965383542.db2.gz CUOGGGBYFXKJLU-OALUTQOASA-N 1 2 367.449 2.603 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC001087473205 965488467 /nfs/dbraw/zinc/48/84/67/965488467.db2.gz RZJDVPUAHGAZIZ-ROUUACIJSA-N 1 2 369.490 2.681 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC001087473205 965488472 /nfs/dbraw/zinc/48/84/72/965488472.db2.gz RZJDVPUAHGAZIZ-ROUUACIJSA-N 1 2 369.490 2.681 20 30 FFEDLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccccc1-c1ccc(C#N)cc1 ZINC001176368039 1013695171 /nfs/dbraw/zinc/69/51/71/1013695171.db2.gz ZAOZXLYDGAFQRV-HXUWFJFHSA-N 1 2 373.416 2.634 20 30 FFEDLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1-c1ccc(C#N)cc1 ZINC001176368039 1013695179 /nfs/dbraw/zinc/69/51/79/1013695179.db2.gz ZAOZXLYDGAFQRV-HXUWFJFHSA-N 1 2 373.416 2.634 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C)nn2C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087514296 967556232 /nfs/dbraw/zinc/55/62/32/967556232.db2.gz OAEUZJULFUBWIN-ZWKOTPCHSA-N 1 2 369.444 2.522 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C)nn2C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087514296 967556246 /nfs/dbraw/zinc/55/62/46/967556246.db2.gz OAEUZJULFUBWIN-ZWKOTPCHSA-N 1 2 369.444 2.522 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC000972520462 967565493 /nfs/dbraw/zinc/56/54/93/967565493.db2.gz BELBUZQDUSMXKH-RYRKJORJSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncoc2C(C)C)C1 ZINC000972520462 967565500 /nfs/dbraw/zinc/56/55/00/967565500.db2.gz BELBUZQDUSMXKH-RYRKJORJSA-N 1 2 361.486 2.812 20 30 FFEDLO Cc1ccc2c(c1)CN(C(=O)N[C@@H]1CCN(c3cccc[nH+]3)C1)CCO2 ZINC000329236276 967572773 /nfs/dbraw/zinc/57/27/73/967572773.db2.gz OFLBSEYHYJLJNX-QGZVFWFLSA-N 1 2 352.438 2.777 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000972530369 967637016 /nfs/dbraw/zinc/63/70/16/967637016.db2.gz UIAQZBULQWOBJI-AABGKKOBSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000972530369 967637018 /nfs/dbraw/zinc/63/70/18/967637018.db2.gz UIAQZBULQWOBJI-AABGKKOBSA-N 1 2 371.456 2.711 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087535495 967888047 /nfs/dbraw/zinc/88/80/47/967888047.db2.gz NAABVAIQSMFIDX-ZWKOTPCHSA-N 1 2 368.412 2.581 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087535495 967888064 /nfs/dbraw/zinc/88/80/64/967888064.db2.gz NAABVAIQSMFIDX-ZWKOTPCHSA-N 1 2 368.412 2.581 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)c(C)c3)C2)C1 ZINC000972584857 967911043 /nfs/dbraw/zinc/91/10/43/967911043.db2.gz CMJJOTSMLQZIOB-XJUOHMSHSA-N 1 2 366.505 2.734 20 30 FFEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)c(C)c3)C2)C1 ZINC000972584857 967911047 /nfs/dbraw/zinc/91/10/47/967911047.db2.gz CMJJOTSMLQZIOB-XJUOHMSHSA-N 1 2 366.505 2.734 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ncccc2O)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001087552368 968088883 /nfs/dbraw/zinc/08/88/83/968088883.db2.gz ANXDZJPOBPUZPI-DLBZAZTESA-N 1 2 368.412 2.581 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ncccc2O)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001087552368 968088895 /nfs/dbraw/zinc/08/88/95/968088895.db2.gz ANXDZJPOBPUZPI-DLBZAZTESA-N 1 2 368.412 2.581 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](Cc2nccn2C)[C@@H]1CC ZINC001087628397 968413923 /nfs/dbraw/zinc/41/39/23/968413923.db2.gz RZEQQCZCWZCQTN-ZWKOTPCHSA-N 1 2 368.481 2.768 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](Cc2nccn2C)[C@@H]1CC ZINC001087628397 968413928 /nfs/dbraw/zinc/41/39/28/968413928.db2.gz RZEQQCZCWZCQTN-ZWKOTPCHSA-N 1 2 368.481 2.768 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@H]1CC ZINC001087737503 968804313 /nfs/dbraw/zinc/80/43/13/968804313.db2.gz ZHKWURWBNCZKTR-SWLSCSKDSA-N 1 2 367.291 2.778 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@H]1CC ZINC001087737503 968804316 /nfs/dbraw/zinc/80/43/16/968804316.db2.gz ZHKWURWBNCZKTR-SWLSCSKDSA-N 1 2 367.291 2.778 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2nccs2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001087772111 969010992 /nfs/dbraw/zinc/01/09/92/969010992.db2.gz QIOXFFSNWWYNPZ-DLBZAZTESA-N 1 2 357.454 2.917 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2nccs2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001087772111 969011002 /nfs/dbraw/zinc/01/10/02/969011002.db2.gz QIOXFFSNWWYNPZ-DLBZAZTESA-N 1 2 357.454 2.917 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccc(OC)o2)[C@H]1CC ZINC001087772593 969013642 /nfs/dbraw/zinc/01/36/42/969013642.db2.gz QRQLGQKLBQZFPG-NWDGAFQWSA-N 1 2 357.248 2.780 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccc(OC)o2)[C@H]1CC ZINC001087772593 969013652 /nfs/dbraw/zinc/01/36/52/969013652.db2.gz QRQLGQKLBQZFPG-NWDGAFQWSA-N 1 2 357.248 2.780 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(CC)nn(C)c2Cl)[C@H]1CC ZINC001087788036 969053124 /nfs/dbraw/zinc/05/31/24/969053124.db2.gz BNJVSSBKMAVCGL-QWHCGFSZSA-N 1 2 359.301 2.971 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(CC)nn(C)c2Cl)[C@H]1CC ZINC001087788036 969053134 /nfs/dbraw/zinc/05/31/34/969053134.db2.gz BNJVSSBKMAVCGL-QWHCGFSZSA-N 1 2 359.301 2.971 20 30 FFEDLO CCCN(C(=O)[C@]12C[C@H]1COC2)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001267541924 969355603 /nfs/dbraw/zinc/35/56/03/969355603.db2.gz LKHHFMZVYCKGRC-CUWPLCDZSA-N 1 2 371.456 2.547 20 30 FFEDLO CCCN(C(=O)[C@]12C[C@H]1COC2)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001267541924 969355609 /nfs/dbraw/zinc/35/56/09/969355609.db2.gz LKHHFMZVYCKGRC-CUWPLCDZSA-N 1 2 371.456 2.547 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC001267565712 969451603 /nfs/dbraw/zinc/45/16/03/969451603.db2.gz SKAOCEBMXNIEHG-MCIONIFRSA-N 1 2 369.918 2.716 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC001267565712 969451609 /nfs/dbraw/zinc/45/16/09/969451609.db2.gz SKAOCEBMXNIEHG-MCIONIFRSA-N 1 2 369.918 2.716 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2noc(CCC)n2)C1 ZINC001104552437 969613988 /nfs/dbraw/zinc/61/39/88/969613988.db2.gz GZLDRNZGZDUUMM-IAGOWNOFSA-N 1 2 360.502 2.790 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)s3)[C@@H]2CC)cn1 ZINC001087802888 970302553 /nfs/dbraw/zinc/30/25/53/970302553.db2.gz PVLBFZKSHXAFBM-DLBZAZTESA-N 1 2 354.479 2.611 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)s3)[C@@H]2CC)cn1 ZINC001087802888 970302560 /nfs/dbraw/zinc/30/25/60/970302560.db2.gz PVLBFZKSHXAFBM-DLBZAZTESA-N 1 2 354.479 2.611 20 30 FFEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CC[C@@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC001267682153 970525998 /nfs/dbraw/zinc/52/59/98/970525998.db2.gz JBRUFBDZSIWAFR-QWHCGFSZSA-N 1 2 354.800 2.677 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC(C)(C)CO2)[C@H]1C ZINC001088740064 975677848 /nfs/dbraw/zinc/67/78/48/975677848.db2.gz NBFMDWKPEVJNRB-RDBSUJKOSA-N 1 2 359.308 2.679 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC(C)(C)CO2)[C@H]1C ZINC001088740064 975677856 /nfs/dbraw/zinc/67/78/56/975677856.db2.gz NBFMDWKPEVJNRB-RDBSUJKOSA-N 1 2 359.308 2.679 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088755777 975871023 /nfs/dbraw/zinc/87/10/23/975871023.db2.gz QOLYFNOEFMBZKW-UCBGIHAFSA-N 1 2 371.456 2.591 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088755777 975871035 /nfs/dbraw/zinc/87/10/35/975871035.db2.gz QOLYFNOEFMBZKW-UCBGIHAFSA-N 1 2 371.456 2.591 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)cc(C)n3)[C@@H]2C1 ZINC001075973853 975881992 /nfs/dbraw/zinc/88/19/92/975881992.db2.gz HOQFITIRDPYZBO-GOEBONIOSA-N 1 2 364.287 2.753 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)cc(C)n3)[C@@H]2C1 ZINC001075973853 975882003 /nfs/dbraw/zinc/88/20/03/975882003.db2.gz HOQFITIRDPYZBO-GOEBONIOSA-N 1 2 364.287 2.753 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccn(CC)c2C)[C@H]1C ZINC001088809571 976589954 /nfs/dbraw/zinc/58/99/54/976589954.db2.gz ZRCXIZWQPZHZGS-HIFRSBDPSA-N 1 2 354.292 2.918 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccn(CC)c2C)[C@H]1C ZINC001088809571 976589964 /nfs/dbraw/zinc/58/99/64/976589964.db2.gz ZRCXIZWQPZHZGS-HIFRSBDPSA-N 1 2 354.292 2.918 20 30 FFEDLO O=C(N1CCC[N@H+](CC#Cc2ccccc2)CC1)[C@]12CCC[C@H]1OCC2 ZINC000981603556 976644473 /nfs/dbraw/zinc/64/44/73/976644473.db2.gz JBFOKTBTFIVDGH-IRLDBZIGSA-N 1 2 352.478 2.532 20 30 FFEDLO O=C(N1CCC[N@@H+](CC#Cc2ccccc2)CC1)[C@]12CCC[C@H]1OCC2 ZINC000981603556 976644477 /nfs/dbraw/zinc/64/44/77/976644477.db2.gz JBFOKTBTFIVDGH-IRLDBZIGSA-N 1 2 352.478 2.532 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)ccc1F ZINC000981642060 976678928 /nfs/dbraw/zinc/67/89/28/976678928.db2.gz ZDQRGRMVNJXCKA-XKGZKEIXSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)ccc1F ZINC000981642060 976678932 /nfs/dbraw/zinc/67/89/32/976678932.db2.gz ZDQRGRMVNJXCKA-XKGZKEIXSA-N 1 2 371.456 2.547 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981658125 976689545 /nfs/dbraw/zinc/68/95/45/976689545.db2.gz WKCKLRAMMNVINS-UXHICEINSA-N 1 2 358.457 2.527 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981658125 976689549 /nfs/dbraw/zinc/68/95/49/976689549.db2.gz WKCKLRAMMNVINS-UXHICEINSA-N 1 2 358.457 2.527 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC001028147247 976894790 /nfs/dbraw/zinc/89/47/90/976894790.db2.gz RTTLIYBEJGUKEE-XHSDSOJGSA-N 1 2 361.486 2.644 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC001028147247 976894796 /nfs/dbraw/zinc/89/47/96/976894796.db2.gz RTTLIYBEJGUKEE-XHSDSOJGSA-N 1 2 361.486 2.644 20 30 FFEDLO Cc1nn(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c(C)c1[N+](=O)[O-] ZINC000728903482 977037390 /nfs/dbraw/zinc/03/73/90/977037390.db2.gz OYDHWAYSXSJZRA-UHFFFAOYSA-N 1 2 355.398 2.781 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1coc(C2CC2)n1 ZINC001028195863 977099318 /nfs/dbraw/zinc/09/93/18/977099318.db2.gz XCDQGURSJDDOLP-SQNIBIBYSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1coc(C2CC2)n1 ZINC001028195863 977099327 /nfs/dbraw/zinc/09/93/27/977099327.db2.gz XCDQGURSJDDOLP-SQNIBIBYSA-N 1 2 359.470 2.614 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+](CC(N)=O)C1CCCC1 ZINC000728913273 977440240 /nfs/dbraw/zinc/44/02/40/977440240.db2.gz RIWPVCJLZUFWAN-XDHOZWIPSA-N 1 2 355.482 2.597 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+](CC(N)=O)C1CCCC1 ZINC000728913273 977440246 /nfs/dbraw/zinc/44/02/46/977440246.db2.gz RIWPVCJLZUFWAN-XDHOZWIPSA-N 1 2 355.482 2.597 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@@H]2c2ccccc2)cn1 ZINC001087441836 977522699 /nfs/dbraw/zinc/52/26/99/977522699.db2.gz BBFRNWHTEGYADP-WOJBJXKFSA-N 1 2 351.425 2.620 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@@H]2c2ccccc2)cn1 ZINC001087441836 977522705 /nfs/dbraw/zinc/52/27/05/977522705.db2.gz BBFRNWHTEGYADP-WOJBJXKFSA-N 1 2 351.425 2.620 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC001087456748 977854759 /nfs/dbraw/zinc/85/47/59/977854759.db2.gz OVVSYMYGMLBDIE-RTBURBONSA-N 1 2 370.424 2.786 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC001087456748 977854769 /nfs/dbraw/zinc/85/47/69/977854769.db2.gz OVVSYMYGMLBDIE-RTBURBONSA-N 1 2 370.424 2.786 20 30 FFEDLO CCc1nocc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088842210 977879176 /nfs/dbraw/zinc/87/91/76/977879176.db2.gz SQKWLCFKNHQWNY-XIKOKIGWSA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1nocc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088842210 977879189 /nfs/dbraw/zinc/87/91/89/977879189.db2.gz SQKWLCFKNHQWNY-XIKOKIGWSA-N 1 2 356.401 2.641 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)C2CC2)CCCC1 ZINC001111522717 978331894 /nfs/dbraw/zinc/33/18/94/978331894.db2.gz JEIKYSCZGJVABG-OWYHZJEWSA-N 1 2 373.541 2.759 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)C2CC2)CCCC1 ZINC001111522717 978331901 /nfs/dbraw/zinc/33/19/01/978331901.db2.gz JEIKYSCZGJVABG-OWYHZJEWSA-N 1 2 373.541 2.759 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)cn3)[C@@H]2C1 ZINC001076111314 979117126 /nfs/dbraw/zinc/11/71/26/979117126.db2.gz VVPDUDPHLZKUET-SMDDNHRTSA-N 1 2 359.779 2.999 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)cn3)[C@@H]2C1 ZINC001076111314 979117133 /nfs/dbraw/zinc/11/71/33/979117133.db2.gz VVPDUDPHLZKUET-SMDDNHRTSA-N 1 2 359.779 2.999 20 30 FFEDLO Cc1cocc1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001076144931 979151979 /nfs/dbraw/zinc/15/19/79/979151979.db2.gz KMINROSDOSSVOA-HNAYVOBHSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1cocc1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001076144931 979151981 /nfs/dbraw/zinc/15/19/81/979151981.db2.gz KMINROSDOSSVOA-HNAYVOBHSA-N 1 2 353.397 2.945 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3cccc(C)c3)[C@@H]2C1 ZINC001076197640 979206972 /nfs/dbraw/zinc/20/69/72/979206972.db2.gz ANBSYOPAVPTDSN-DLBZAZTESA-N 1 2 363.299 2.979 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cccc(C)c3)[C@@H]2C1 ZINC001076197640 979206979 /nfs/dbraw/zinc/20/69/79/979206979.db2.gz ANBSYOPAVPTDSN-DLBZAZTESA-N 1 2 363.299 2.979 20 30 FFEDLO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](Cc4c(F)cccc4F)C[C@H]32)c1 ZINC001076223207 979244079 /nfs/dbraw/zinc/24/40/79/979244079.db2.gz NUFZTHALYCMNFY-MGPUTAFESA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+](Cc4c(F)cccc4F)C[C@H]32)c1 ZINC001076223207 979244084 /nfs/dbraw/zinc/24/40/84/979244084.db2.gz NUFZTHALYCMNFY-MGPUTAFESA-N 1 2 367.399 2.688 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-c4cn[nH]c4)cc3)[C@@H]2C1 ZINC001076358981 979424424 /nfs/dbraw/zinc/42/44/24/979424424.db2.gz WQORSJFKOUQCEJ-FUHWJXTLSA-N 1 2 356.857 2.976 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-c4cn[nH]c4)cc3)[C@@H]2C1 ZINC001076358981 979424430 /nfs/dbraw/zinc/42/44/30/979424430.db2.gz WQORSJFKOUQCEJ-FUHWJXTLSA-N 1 2 356.857 2.976 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4ccnc4)c3)[C@@H]2C1 ZINC001076422070 979478197 /nfs/dbraw/zinc/47/81/97/979478197.db2.gz WSPYTAVTSMYAME-FUHWJXTLSA-N 1 2 356.857 2.771 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4ccnc4)c3)[C@@H]2C1 ZINC001076422070 979478199 /nfs/dbraw/zinc/47/81/99/979478199.db2.gz WSPYTAVTSMYAME-FUHWJXTLSA-N 1 2 356.857 2.771 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC001076622998 979733681 /nfs/dbraw/zinc/73/36/81/979733681.db2.gz BHEMVCNHCCEUPV-DZGCQCFKSA-N 1 2 361.833 2.748 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC001076622998 979733686 /nfs/dbraw/zinc/73/36/86/979733686.db2.gz BHEMVCNHCCEUPV-DZGCQCFKSA-N 1 2 361.833 2.748 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C[C@H]2CCCO2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088479035 979789654 /nfs/dbraw/zinc/78/96/54/979789654.db2.gz BTJSNMAJISLFTN-SUMDDJOVSA-N 1 2 360.885 2.840 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C[C@H]2CCCO2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088479035 979789660 /nfs/dbraw/zinc/78/96/60/979789660.db2.gz BTJSNMAJISLFTN-SUMDDJOVSA-N 1 2 360.885 2.840 20 30 FFEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1)C(=O)OC ZINC000877582940 1014634410 /nfs/dbraw/zinc/63/44/10/1014634410.db2.gz IQMRESDXLXDGKO-NCOADZHNSA-N 1 2 364.486 2.709 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC000904116852 980189704 /nfs/dbraw/zinc/18/97/04/980189704.db2.gz NSHJLUJRCHEOCK-WCQYABFASA-N 1 2 373.306 2.746 20 30 FFEDLO C=CCOCCCNC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000666523511 980944644 /nfs/dbraw/zinc/94/46/44/980944644.db2.gz UIOBASGQVKSKKF-QGZVFWFLSA-N 1 2 361.486 2.676 20 30 FFEDLO Cn1c(C#N)ccc1C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907809824 981299119 /nfs/dbraw/zinc/29/91/19/981299119.db2.gz BEFPYDYPWFRTTO-CQSZACIVSA-N 1 2 351.454 2.955 20 30 FFEDLO Cn1c(C#N)ccc1C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907809824 981299127 /nfs/dbraw/zinc/29/91/27/981299127.db2.gz BEFPYDYPWFRTTO-CQSZACIVSA-N 1 2 351.454 2.955 20 30 FFEDLO CC(=O)N1CCN(c2ccc([NH2+][C@H](C)CC3(C#N)CCOCC3)cc2)CC1 ZINC000877775425 1014723400 /nfs/dbraw/zinc/72/34/00/1014723400.db2.gz VDFTZUQTTBPFRM-QGZVFWFLSA-N 1 2 370.497 2.866 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(F)cc2NC(C)=O)[C@H]1C ZINC001088604614 981417503 /nfs/dbraw/zinc/41/75/03/981417503.db2.gz IJYZKFOLXCIGFO-ABAIWWIYSA-N 1 2 353.825 2.729 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2NC(C)=O)[C@H]1C ZINC001088604614 981417508 /nfs/dbraw/zinc/41/75/08/981417508.db2.gz IJYZKFOLXCIGFO-ABAIWWIYSA-N 1 2 353.825 2.729 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCC(CN(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000988634030 981470734 /nfs/dbraw/zinc/47/07/34/981470734.db2.gz DRMKHMHHBUXLPD-IAGOWNOFSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCC(CN(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000988634030 981470741 /nfs/dbraw/zinc/47/07/41/981470741.db2.gz DRMKHMHHBUXLPD-IAGOWNOFSA-N 1 2 370.497 2.567 20 30 FFEDLO N#Cc1ccc(-c2noc([C@H]([NH3+])c3ccc(Br)cc3)n2)nc1 ZINC001212093462 981628889 /nfs/dbraw/zinc/62/88/89/981628889.db2.gz WTCNTADSCVSJNR-CYBMUJFWSA-N 1 2 356.183 2.814 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1c[nH]c2cc[nH+]cc12 ZINC001272122952 981691593 /nfs/dbraw/zinc/69/15/93/981691593.db2.gz HQMITMAEJVCGKZ-HXUWFJFHSA-N 1 2 352.438 2.736 20 30 FFEDLO Cc1noc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)c1C ZINC001088648515 982145442 /nfs/dbraw/zinc/14/54/42/982145442.db2.gz NYUCKDNLVGJEAN-DYVFJYSZSA-N 1 2 356.401 2.695 20 30 FFEDLO Cc1noc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)c1C ZINC001088648515 982145446 /nfs/dbraw/zinc/14/54/46/982145446.db2.gz NYUCKDNLVGJEAN-DYVFJYSZSA-N 1 2 356.401 2.695 20 30 FFEDLO O=C1C=COC2(CC[NH+](Cc3cc4c(cc3OC(F)F)OCO4)CC2)C1 ZINC000897602158 982391425 /nfs/dbraw/zinc/39/14/25/982391425.db2.gz HJUVYVHNXYYELT-UHFFFAOYSA-N 1 2 367.348 2.854 20 30 FFEDLO C#CC[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC)C1CC1 ZINC000763949988 983965459 /nfs/dbraw/zinc/96/54/59/983965459.db2.gz NWYOIJXSCJHWJL-UHFFFAOYSA-N 1 2 370.371 2.767 20 30 FFEDLO C#CC[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC)C1CC1 ZINC000763949988 983965462 /nfs/dbraw/zinc/96/54/62/983965462.db2.gz NWYOIJXSCJHWJL-UHFFFAOYSA-N 1 2 370.371 2.767 20 30 FFEDLO COc1ccccc1NC(=S)N[NH+]=Cc1ccccc1N1CCOCC1 ZINC000912784403 984118292 /nfs/dbraw/zinc/11/82/92/984118292.db2.gz BCKZKDUDGKLFFS-UHFFFAOYSA-N 1 2 370.478 2.852 20 30 FFEDLO CC(C)c1ccc(CCNC(=O)CO[NH+]=C(N)c2ccc(F)cc2)cc1 ZINC000913031445 984170270 /nfs/dbraw/zinc/17/02/70/984170270.db2.gz MMKOZAJEEYNXGZ-UHFFFAOYSA-N 1 2 357.429 2.945 20 30 FFEDLO CCCc1nnc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@H](C)C#N)CCC[C@@H]23)s1 ZINC001107337220 984460491 /nfs/dbraw/zinc/46/04/91/984460491.db2.gz XQNZAXYHUOVZGG-HBUWYVDXSA-N 1 2 361.515 2.511 20 30 FFEDLO CCCc1nnc(C[N@H+]2CC[C@@]3(CNC(=O)[C@H](C)C#N)CCC[C@@H]23)s1 ZINC001107337220 984460495 /nfs/dbraw/zinc/46/04/95/984460495.db2.gz XQNZAXYHUOVZGG-HBUWYVDXSA-N 1 2 361.515 2.511 20 30 FFEDLO CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(C(C)C)no1)CC2 ZINC001107393075 984500082 /nfs/dbraw/zinc/50/00/82/984500082.db2.gz FUYIHUMGYWVFNC-OXQOHEQNSA-N 1 2 358.486 2.713 20 30 FFEDLO CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nc(C(C)C)no1)CC2 ZINC001107393075 984500086 /nfs/dbraw/zinc/50/00/86/984500086.db2.gz FUYIHUMGYWVFNC-OXQOHEQNSA-N 1 2 358.486 2.713 20 30 FFEDLO CC(C)(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(C3CC3)no1)CC2 ZINC001107399716 984506898 /nfs/dbraw/zinc/50/68/98/984506898.db2.gz GCCAQWLMTDFLFV-IIBYNOLFSA-N 1 2 370.497 2.857 20 30 FFEDLO CC(C)(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nc(C3CC3)no1)CC2 ZINC001107399716 984506903 /nfs/dbraw/zinc/50/69/03/984506903.db2.gz GCCAQWLMTDFLFV-IIBYNOLFSA-N 1 2 370.497 2.857 20 30 FFEDLO Cc1nc(NC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)ccc1C#N ZINC001060319452 984686694 /nfs/dbraw/zinc/68/66/94/984686694.db2.gz WFNJNKQQPXRKJC-GVDBMIGSSA-N 1 2 364.453 2.582 20 30 FFEDLO Cc1nc(NC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccc1C#N ZINC001060319452 984686700 /nfs/dbraw/zinc/68/67/00/984686700.db2.gz WFNJNKQQPXRKJC-GVDBMIGSSA-N 1 2 364.453 2.582 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C(C)C)n3)C[C@H]2O)CC1 ZINC001077621435 984715115 /nfs/dbraw/zinc/71/51/15/984715115.db2.gz JCCQZIGZSWTLCG-WOJBJXKFSA-N 1 2 357.498 2.613 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C(C)C)n3)C[C@H]2O)CC1 ZINC001077621435 984715119 /nfs/dbraw/zinc/71/51/19/984715119.db2.gz JCCQZIGZSWTLCG-WOJBJXKFSA-N 1 2 357.498 2.613 20 30 FFEDLO CC(C)[C@H](NC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000158154266 984788920 /nfs/dbraw/zinc/78/89/20/984788920.db2.gz XELWXFPORCNRLO-FQEVSTJZSA-N 1 2 367.449 2.772 20 30 FFEDLO Cc1ccccc1Cc1noc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)n1 ZINC000158226654 984810132 /nfs/dbraw/zinc/81/01/32/984810132.db2.gz LBRUCHXYHZUCSJ-UHFFFAOYSA-N 1 2 364.405 2.741 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3c(F)cccc3F)[C@@H]2C)cn1 ZINC001088990607 985786094 /nfs/dbraw/zinc/78/60/94/985786094.db2.gz GEIIDYBGUCZXNW-YJYMSZOUSA-N 1 2 355.388 2.734 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3c(F)cccc3F)[C@@H]2C)cn1 ZINC001088990607 985786103 /nfs/dbraw/zinc/78/61/03/985786103.db2.gz GEIIDYBGUCZXNW-YJYMSZOUSA-N 1 2 355.388 2.734 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2C(C)(C)C2(C)C)cc1C#N ZINC001272870718 986780257 /nfs/dbraw/zinc/78/02/57/986780257.db2.gz BDSQQBGGDXYCFP-IYBDPMFKSA-N 1 2 354.498 2.754 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2C(C)(C)C2(C)C)cc1C#N ZINC001272870718 986780264 /nfs/dbraw/zinc/78/02/64/986780264.db2.gz BDSQQBGGDXYCFP-IYBDPMFKSA-N 1 2 354.498 2.754 20 30 FFEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)c1ccc2ccccc2c1 ZINC001078061268 986968009 /nfs/dbraw/zinc/96/80/09/986968009.db2.gz LBQFGRUHBIEYMP-DHIUTWEWSA-N 1 2 370.452 2.666 20 30 FFEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)c1ccc2ccccc2c1 ZINC001078061268 986968014 /nfs/dbraw/zinc/96/80/14/986968014.db2.gz LBQFGRUHBIEYMP-DHIUTWEWSA-N 1 2 370.452 2.666 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](OC)c2ccccc2)C1 ZINC001031077563 987579296 /nfs/dbraw/zinc/57/92/96/987579296.db2.gz ZQBWRFGWEIXWEJ-ZCNNSNEGSA-N 1 2 358.482 2.546 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](CCOC2CCCCCC2)C1 ZINC001031077362 987579351 /nfs/dbraw/zinc/57/93/51/987579351.db2.gz PWORPCHHNBTLJD-PMACEKPBSA-N 1 2 364.530 2.898 20 30 FFEDLO Cc1ccc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)cc1C ZINC000762213247 988213359 /nfs/dbraw/zinc/21/33/59/988213359.db2.gz XHQCCDZSXDRHAC-UHFFFAOYSA-N 1 2 353.466 2.973 20 30 FFEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000915218219 988314089 /nfs/dbraw/zinc/31/40/89/988314089.db2.gz SSPJTTUKZDLHRS-IMJJTQAJSA-N 1 2 350.422 2.723 20 30 FFEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000915218219 988314104 /nfs/dbraw/zinc/31/41/04/988314104.db2.gz SSPJTTUKZDLHRS-IMJJTQAJSA-N 1 2 350.422 2.723 20 30 FFEDLO CC(C)OCc1cccc(CNC(=O)CO[NH+]=C(N)c2ccc(F)cc2)c1 ZINC000762664937 988564017 /nfs/dbraw/zinc/56/40/17/988564017.db2.gz PNYBBTUFEMWVJH-UHFFFAOYSA-N 1 2 373.428 2.704 20 30 FFEDLO CC(=O)Nc1cccc2c1C[N@@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000879236814 1015426572 /nfs/dbraw/zinc/42/65/72/1015426572.db2.gz OGKPISNNEQRIIN-OAQYLSRUSA-N 1 2 374.444 2.680 20 30 FFEDLO CC(=O)Nc1cccc2c1C[N@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000879236814 1015426578 /nfs/dbraw/zinc/42/65/78/1015426578.db2.gz OGKPISNNEQRIIN-OAQYLSRUSA-N 1 2 374.444 2.680 20 30 FFEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001007969110 1015436115 /nfs/dbraw/zinc/43/61/15/1015436115.db2.gz AMAFOYUEFYRXBC-FYZZASKESA-N 1 2 370.468 2.573 20 30 FFEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001007969110 1015436119 /nfs/dbraw/zinc/43/61/19/1015436119.db2.gz AMAFOYUEFYRXBC-FYZZASKESA-N 1 2 370.468 2.573 20 30 FFEDLO C=CCOc1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)cc1 ZINC000652012116 1015442794 /nfs/dbraw/zinc/44/27/94/1015442794.db2.gz RZNUBOULUMSQPD-UHFFFAOYSA-N 1 2 365.437 2.524 20 30 FFEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC001004577822 989051560 /nfs/dbraw/zinc/05/15/60/989051560.db2.gz SNSPPYOUPGKPCW-HKBOAZHASA-N 1 2 367.493 2.991 20 30 FFEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC001004577822 989051571 /nfs/dbraw/zinc/05/15/71/989051571.db2.gz SNSPPYOUPGKPCW-HKBOAZHASA-N 1 2 367.493 2.991 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C=C(C)C)C[C@H]2c2c[nH+]cn2C)CC1 ZINC000993590009 989318874 /nfs/dbraw/zinc/31/88/74/989318874.db2.gz BNKKYYJAJJFGNR-QZTJIDSGSA-N 1 2 370.497 2.543 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000994285143 989897223 /nfs/dbraw/zinc/89/72/23/989897223.db2.gz WWTJJMZDGNYJNS-WHSLLNHNSA-N 1 2 368.481 2.761 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C(C)(C)C2)CC1 ZINC001008276962 1015559848 /nfs/dbraw/zinc/55/98/48/1015559848.db2.gz HESSQXLKWQNCER-NUJGCVRESA-N 1 2 370.497 2.613 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C(C)(C)C2)CC1 ZINC001008276962 1015559855 /nfs/dbraw/zinc/55/98/55/1015559855.db2.gz HESSQXLKWQNCER-NUJGCVRESA-N 1 2 370.497 2.613 20 30 FFEDLO C#CCCCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001078993784 990506546 /nfs/dbraw/zinc/50/65/46/990506546.db2.gz YQBWLDRKLLFEFC-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO C#CCCCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001078993784 990506550 /nfs/dbraw/zinc/50/65/50/990506550.db2.gz YQBWLDRKLLFEFC-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO CCOC(=O)CC1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000130382363 990529814 /nfs/dbraw/zinc/52/98/14/990529814.db2.gz IUUGNLQONQWPIV-ZDUSSCGKSA-N 1 2 361.442 2.760 20 30 FFEDLO CCC(=O)N[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000130594854 990566206 /nfs/dbraw/zinc/56/62/06/990566206.db2.gz BRIJBAULZZNYRU-SFHVURJKSA-N 1 2 370.497 2.541 20 30 FFEDLO CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000130594854 990566211 /nfs/dbraw/zinc/56/62/11/990566211.db2.gz BRIJBAULZZNYRU-SFHVURJKSA-N 1 2 370.497 2.541 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1n1ccnn1 ZINC001129238906 990619492 /nfs/dbraw/zinc/61/94/92/990619492.db2.gz LAMXHPVCZQVCQN-WSTZPKSXSA-N 1 2 371.460 2.561 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1n1ccnn1 ZINC001129238906 990619497 /nfs/dbraw/zinc/61/94/97/990619497.db2.gz LAMXHPVCZQVCQN-WSTZPKSXSA-N 1 2 371.460 2.561 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001005860494 990787164 /nfs/dbraw/zinc/78/71/64/990787164.db2.gz HLRYJTPEFBMJNG-OWYHZJEWSA-N 1 2 370.497 2.829 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2(C)C)C1 ZINC000967149652 1015605939 /nfs/dbraw/zinc/60/59/39/1015605939.db2.gz REEQSOFZUWBMJE-BFYDXBDKSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2(C)C)C1 ZINC000967149652 1015605945 /nfs/dbraw/zinc/60/59/45/1015605945.db2.gz REEQSOFZUWBMJE-BFYDXBDKSA-N 1 2 370.497 2.613 20 30 FFEDLO CCC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001212324845 991683631 /nfs/dbraw/zinc/68/36/31/991683631.db2.gz JHPPWSMIKHNHIM-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001212324845 991683634 /nfs/dbraw/zinc/68/36/34/991683634.db2.gz JHPPWSMIKHNHIM-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cccc(Cl)c2)C1 ZINC001079147089 991804578 /nfs/dbraw/zinc/80/45/78/991804578.db2.gz WIOPABMLHTZHAC-WOJBJXKFSA-N 1 2 368.864 2.661 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cccc(Cl)c2)C1 ZINC001079147089 991804583 /nfs/dbraw/zinc/80/45/83/991804583.db2.gz WIOPABMLHTZHAC-WOJBJXKFSA-N 1 2 368.864 2.661 20 30 FFEDLO COCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)CCC1 ZINC001110825627 1015691039 /nfs/dbraw/zinc/69/10/39/1015691039.db2.gz QNMJCNPCJNKVIX-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO COCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)CCC1 ZINC001110825627 1015691044 /nfs/dbraw/zinc/69/10/44/1015691044.db2.gz QNMJCNPCJNKVIX-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001079720054 992358125 /nfs/dbraw/zinc/35/81/25/992358125.db2.gz RSBYOFGPZDXWOH-NGFQHRJXSA-N 1 2 369.918 2.714 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001079720054 992358136 /nfs/dbraw/zinc/35/81/36/992358136.db2.gz RSBYOFGPZDXWOH-NGFQHRJXSA-N 1 2 369.918 2.714 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001079719876 992358356 /nfs/dbraw/zinc/35/83/56/992358356.db2.gz HVFMWUCTAMJQCF-DZUCGIPZSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001079719876 992358366 /nfs/dbraw/zinc/35/83/66/992358366.db2.gz HVFMWUCTAMJQCF-DZUCGIPZSA-N 1 2 363.889 2.653 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ncccn3)C[C@H]2C)cc1 ZINC001079978128 992639598 /nfs/dbraw/zinc/63/95/98/992639598.db2.gz XSLHPSBKTXAJJA-GPMSIDNRSA-N 1 2 366.465 2.853 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ncccn3)C[C@H]2C)cc1 ZINC001079978128 992639605 /nfs/dbraw/zinc/63/96/05/992639605.db2.gz XSLHPSBKTXAJJA-GPMSIDNRSA-N 1 2 366.465 2.853 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(=O)Nc3ccc(F)cc3)C[C@H]2C)C1 ZINC001080404414 993032672 /nfs/dbraw/zinc/03/26/72/993032672.db2.gz HAPSJCNSHSIWCI-RHSMWYFYSA-N 1 2 359.445 2.557 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(=O)Nc3ccc(F)cc3)C[C@H]2C)C1 ZINC001080404414 993032676 /nfs/dbraw/zinc/03/26/76/993032676.db2.gz HAPSJCNSHSIWCI-RHSMWYFYSA-N 1 2 359.445 2.557 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1coc(C2CC2)n1 ZINC001080568885 993148325 /nfs/dbraw/zinc/14/83/25/993148325.db2.gz KCEDTSAOGTVUFT-SJKOYZFVSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1coc(C2CC2)n1 ZINC001080568885 993148333 /nfs/dbraw/zinc/14/83/33/993148333.db2.gz KCEDTSAOGTVUFT-SJKOYZFVSA-N 1 2 368.412 2.813 20 30 FFEDLO C=C1CCC(C(=O)NC[C@]23CCC[C@H]2N(C(=O)Cc2c[nH+]c[nH]2)CC3)CC1 ZINC000995391711 993151009 /nfs/dbraw/zinc/15/10/09/993151009.db2.gz ISHTVPBDURBAFI-WIYYLYMNSA-N 1 2 370.497 2.586 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001080758612 993342088 /nfs/dbraw/zinc/34/20/88/993342088.db2.gz BLXQTWAIFGZHFA-MWLCHTKSSA-N 1 2 351.235 2.767 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001080758612 993342092 /nfs/dbraw/zinc/34/20/92/993342092.db2.gz BLXQTWAIFGZHFA-MWLCHTKSSA-N 1 2 351.235 2.767 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)C1(C)CCC1 ZINC001082030616 994128386 /nfs/dbraw/zinc/12/83/86/994128386.db2.gz WEHLGBSCRFMEIO-QZTJIDSGSA-N 1 2 360.885 2.697 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)C1(C)CCC1 ZINC001082030616 994128391 /nfs/dbraw/zinc/12/83/91/994128391.db2.gz WEHLGBSCRFMEIO-QZTJIDSGSA-N 1 2 360.885 2.697 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@]12C[C@H]1CCCC2 ZINC001082114806 994197885 /nfs/dbraw/zinc/19/78/85/994197885.db2.gz SBGNURIQNYSXNB-XLBJILASSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@]12C[C@H]1CCCC2 ZINC001082114806 994197895 /nfs/dbraw/zinc/19/78/95/994197895.db2.gz SBGNURIQNYSXNB-XLBJILASSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001082220174 994285600 /nfs/dbraw/zinc/28/56/00/994285600.db2.gz HMTGMVDLONTYFY-MTQWCTHYSA-N 1 2 372.896 2.553 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001082220174 994285611 /nfs/dbraw/zinc/28/56/11/994285611.db2.gz HMTGMVDLONTYFY-MTQWCTHYSA-N 1 2 372.896 2.553 20 30 FFEDLO CCc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2OC)cc1 ZINC001082353039 994443010 /nfs/dbraw/zinc/44/30/10/994443010.db2.gz AYUFFDWFCMYPAC-NHCUHLMSSA-N 1 2 363.461 2.750 20 30 FFEDLO CCc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2OC)cc1 ZINC001082353039 994443019 /nfs/dbraw/zinc/44/30/19/994443019.db2.gz AYUFFDWFCMYPAC-NHCUHLMSSA-N 1 2 363.461 2.750 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC2CCC1CC2 ZINC001082385497 994500872 /nfs/dbraw/zinc/50/08/72/994500872.db2.gz NPEBVYVBMJCYGK-ARDNKUOLSA-N 1 2 366.505 2.680 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC2CCC1CC2 ZINC001082385497 994500882 /nfs/dbraw/zinc/50/08/82/994500882.db2.gz NPEBVYVBMJCYGK-ARDNKUOLSA-N 1 2 366.505 2.680 20 30 FFEDLO N#Cc1cc(O)cc(C(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)c1 ZINC000809573696 994540833 /nfs/dbraw/zinc/54/08/33/994540833.db2.gz VJJGZZXKOUKTAC-UHFFFAOYSA-N 1 2 372.428 2.770 20 30 FFEDLO COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000810532388 994813190 /nfs/dbraw/zinc/81/31/90/994813190.db2.gz DFIGFTQUPYXCEF-HNAYVOBHSA-N 1 2 361.417 2.555 20 30 FFEDLO COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC000810532388 994813202 /nfs/dbraw/zinc/81/32/02/994813202.db2.gz DFIGFTQUPYXCEF-HNAYVOBHSA-N 1 2 361.417 2.555 20 30 FFEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082524244 994821695 /nfs/dbraw/zinc/82/16/95/994821695.db2.gz MYLAGEMRQCRIGA-OWYVNGRQSA-N 1 2 361.314 2.534 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082524244 994821699 /nfs/dbraw/zinc/82/16/99/994821699.db2.gz MYLAGEMRQCRIGA-OWYVNGRQSA-N 1 2 361.314 2.534 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C(C)C)o2)C1 ZINC001082533187 994838946 /nfs/dbraw/zinc/83/89/46/994838946.db2.gz LKQLNAISCBKHBD-DGCLKSJQSA-N 1 2 354.882 2.908 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000811326420 995104561 /nfs/dbraw/zinc/10/45/61/995104561.db2.gz DLSBQIOMKCFFTN-KRWDZBQOSA-N 1 2 369.465 2.830 20 30 FFEDLO C#CC[N@@H+](CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1)[C@H]1CCc2ccccc21 ZINC000811733123 995231632 /nfs/dbraw/zinc/23/16/32/995231632.db2.gz HYHQXCIFAZPLDX-UFYCRDLUSA-N 1 2 352.478 2.983 20 30 FFEDLO C#CC[N@H+](CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1)[C@H]1CCc2ccccc21 ZINC000811733123 995231643 /nfs/dbraw/zinc/23/16/43/995231643.db2.gz HYHQXCIFAZPLDX-UFYCRDLUSA-N 1 2 352.478 2.983 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(CC)o2)C1)c1ccccc1 ZINC001082937108 995869382 /nfs/dbraw/zinc/86/93/82/995869382.db2.gz KSYUSWJZMWOIQL-DJIMGWMZSA-N 1 2 354.454 2.538 20 30 FFEDLO Cc1ccsc1C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001082980933 995946839 /nfs/dbraw/zinc/94/68/39/995946839.db2.gz ZXXHPEXKXZYUPY-ZWKOTPCHSA-N 1 2 367.474 2.654 20 30 FFEDLO Cc1ccsc1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001082980933 995946842 /nfs/dbraw/zinc/94/68/42/995946842.db2.gz ZXXHPEXKXZYUPY-ZWKOTPCHSA-N 1 2 367.474 2.654 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C4CCCCC4)[C@H]3C2)cc1F ZINC001082984902 995973943 /nfs/dbraw/zinc/97/39/43/995973943.db2.gz AWSPMIKGUAYTME-VQTJNVASSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)C4CCCCC4)[C@H]3C2)cc1F ZINC001082984902 995973948 /nfs/dbraw/zinc/97/39/48/995973948.db2.gz AWSPMIKGUAYTME-VQTJNVASSA-N 1 2 371.456 2.689 20 30 FFEDLO CC1(C)CC(CC(=O)N2CCO[C@@H]3C[N@H+](CC#Cc4ccccc4)C[C@@H]32)C1 ZINC001083173370 996138502 /nfs/dbraw/zinc/13/85/02/996138502.db2.gz HQCRNJAYOZYWJV-LEWJYISDSA-N 1 2 366.505 2.776 20 30 FFEDLO CC1(C)CC(CC(=O)N2CCO[C@@H]3C[N@@H+](CC#Cc4ccccc4)C[C@@H]32)C1 ZINC001083173370 996138504 /nfs/dbraw/zinc/13/85/04/996138504.db2.gz HQCRNJAYOZYWJV-LEWJYISDSA-N 1 2 366.505 2.776 20 30 FFEDLO Cc1c[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001096539527 1016013385 /nfs/dbraw/zinc/01/33/85/1016013385.db2.gz HUPPGKVMTLDKRS-MNEFBYGVSA-N 1 2 352.413 2.869 20 30 FFEDLO Cc1c[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001096539527 1016013393 /nfs/dbraw/zinc/01/33/93/1016013393.db2.gz HUPPGKVMTLDKRS-MNEFBYGVSA-N 1 2 352.413 2.869 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(Cl)cc4)C[C@H]32)no1 ZINC001084175302 996305667 /nfs/dbraw/zinc/30/56/67/996305667.db2.gz AWXASFPJCHOQLN-VQIMIIECSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(Cl)cc4)C[C@H]32)no1 ZINC001084175302 996305669 /nfs/dbraw/zinc/30/56/69/996305669.db2.gz AWXASFPJCHOQLN-VQIMIIECSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1ccoc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084189814 996321609 /nfs/dbraw/zinc/32/16/09/996321609.db2.gz GFBBXMAAAJEEKB-SJLPKXTDSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1ccoc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084189814 996321615 /nfs/dbraw/zinc/32/16/15/996321615.db2.gz GFBBXMAAAJEEKB-SJLPKXTDSA-N 1 2 353.397 2.945 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)COC4CCCC4)[C@@H]3C2)c(F)c1 ZINC001084208927 996344333 /nfs/dbraw/zinc/34/43/33/996344333.db2.gz UDNICIUKWYULDJ-YLJYHZDGSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)COC4CCCC4)[C@@H]3C2)c(F)c1 ZINC001084208927 996344338 /nfs/dbraw/zinc/34/43/38/996344338.db2.gz UDNICIUKWYULDJ-YLJYHZDGSA-N 1 2 371.456 2.689 20 30 FFEDLO Cc1cncc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)c1 ZINC001084252058 996356788 /nfs/dbraw/zinc/35/67/88/996356788.db2.gz FKAZOYUWFVGFGX-WIYYLYMNSA-N 1 2 363.436 2.727 20 30 FFEDLO Cc1cncc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)c1 ZINC001084252058 996356790 /nfs/dbraw/zinc/35/67/90/996356790.db2.gz FKAZOYUWFVGFGX-WIYYLYMNSA-N 1 2 363.436 2.727 20 30 FFEDLO Cc1ccc(CC(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)o1 ZINC001084290272 996396640 /nfs/dbraw/zinc/39/66/40/996396640.db2.gz QMHVCQKZEONHHE-YLJYHZDGSA-N 1 2 367.424 2.874 20 30 FFEDLO Cc1ccc(CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)o1 ZINC001084290272 996396642 /nfs/dbraw/zinc/39/66/42/996396642.db2.gz QMHVCQKZEONHHE-YLJYHZDGSA-N 1 2 367.424 2.874 20 30 FFEDLO Cc1cccnc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084263802 996409046 /nfs/dbraw/zinc/40/90/46/996409046.db2.gz WNMXCAZXKYGZCV-IEBWSBKVSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cccnc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084263802 996409050 /nfs/dbraw/zinc/40/90/50/996409050.db2.gz WNMXCAZXKYGZCV-IEBWSBKVSA-N 1 2 364.424 2.747 20 30 FFEDLO COc1ccc(Cl)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)c1 ZINC001084334086 996463453 /nfs/dbraw/zinc/46/34/53/996463453.db2.gz NVVIQFOHOHMVRJ-DNVCBOLYSA-N 1 2 358.869 2.795 20 30 FFEDLO COc1ccc(Cl)c(C[N@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)c1 ZINC001084334086 996463455 /nfs/dbraw/zinc/46/34/55/996463455.db2.gz NVVIQFOHOHMVRJ-DNVCBOLYSA-N 1 2 358.869 2.795 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(OC)ns3)C[C@H]21 ZINC001084372778 996498442 /nfs/dbraw/zinc/49/84/42/996498442.db2.gz FZHFIAZOOWAJFC-TZMCWYRMSA-N 1 2 369.918 2.963 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(OC)ns3)C[C@H]21 ZINC001084372778 996498445 /nfs/dbraw/zinc/49/84/45/996498445.db2.gz FZHFIAZOOWAJFC-TZMCWYRMSA-N 1 2 369.918 2.963 20 30 FFEDLO Cc1noc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)c1C ZINC001084437110 996589234 /nfs/dbraw/zinc/58/92/34/996589234.db2.gz BGXZDUBUKMPILZ-SJLPKXTDSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1noc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)c1C ZINC001084437110 996589238 /nfs/dbraw/zinc/58/92/38/996589238.db2.gz BGXZDUBUKMPILZ-SJLPKXTDSA-N 1 2 368.412 2.649 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCOc4c(F)cccc43)[C@@H]2C1 ZINC001084507021 996629616 /nfs/dbraw/zinc/62/96/16/996629616.db2.gz DJXQUSPZFYGIKJ-FRFSOERESA-N 1 2 364.848 2.977 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCOc4c(F)cccc43)[C@@H]2C1 ZINC001084507021 996629620 /nfs/dbraw/zinc/62/96/20/996629620.db2.gz DJXQUSPZFYGIKJ-FRFSOERESA-N 1 2 364.848 2.977 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](OC)c3cccc(OC)c3)[C@@H]2C1 ZINC001084547893 996667245 /nfs/dbraw/zinc/66/72/45/996667245.db2.gz RWJGRIBNFIORQK-NXHRZFHOSA-N 1 2 364.873 2.668 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](OC)c3cccc(OC)c3)[C@@H]2C1 ZINC001084547893 996667247 /nfs/dbraw/zinc/66/72/47/996667247.db2.gz RWJGRIBNFIORQK-NXHRZFHOSA-N 1 2 364.873 2.668 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC001084630801 996736672 /nfs/dbraw/zinc/73/66/72/996736672.db2.gz VWFPSZCHPAKGEB-HGHGUNKESA-N 1 2 361.530 2.570 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC001084630801 996736675 /nfs/dbraw/zinc/73/66/75/996736675.db2.gz VWFPSZCHPAKGEB-HGHGUNKESA-N 1 2 361.530 2.570 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+](Cc4cn(C)nc4C(F)F)C[C@H]32)C1 ZINC001084646053 996759055 /nfs/dbraw/zinc/75/90/55/996759055.db2.gz RAPCFKYLNDWVGP-UKRRQHHQSA-N 1 2 364.440 2.747 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](Cc4cn(C)nc4C(F)F)C[C@H]32)C1 ZINC001084646053 996759059 /nfs/dbraw/zinc/75/90/59/996759059.db2.gz RAPCFKYLNDWVGP-UKRRQHHQSA-N 1 2 364.440 2.747 20 30 FFEDLO CCc1ncoc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084648100 996760395 /nfs/dbraw/zinc/76/03/95/996760395.db2.gz UOWNMSSHXBNGQY-CRAIPNDOSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1ncoc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084648100 996760397 /nfs/dbraw/zinc/76/03/97/996760397.db2.gz UOWNMSSHXBNGQY-CRAIPNDOSA-N 1 2 368.412 2.594 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000730096193 996846280 /nfs/dbraw/zinc/84/62/80/996846280.db2.gz JJYUETOBVGKODQ-SFHVURJKSA-N 1 2 366.421 2.637 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000730096193 996846292 /nfs/dbraw/zinc/84/62/92/996846292.db2.gz JJYUETOBVGKODQ-SFHVURJKSA-N 1 2 366.421 2.637 20 30 FFEDLO CCc1nc(C)c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)o1 ZINC001084757949 997219253 /nfs/dbraw/zinc/21/92/53/997219253.db2.gz WNYXITCAJOSNOD-QZTJIDSGSA-N 1 2 364.449 2.764 20 30 FFEDLO CCc1nc(C)c(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)o1 ZINC001084757949 997219267 /nfs/dbraw/zinc/21/92/67/997219267.db2.gz WNYXITCAJOSNOD-QZTJIDSGSA-N 1 2 364.449 2.764 20 30 FFEDLO COc1ccccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084790899 997382760 /nfs/dbraw/zinc/38/27/60/997382760.db2.gz BCFCYGOWJKTPQM-UYAOXDASSA-N 1 2 361.445 2.913 20 30 FFEDLO COc1ccccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084790899 997382770 /nfs/dbraw/zinc/38/27/70/997382770.db2.gz BCFCYGOWJKTPQM-UYAOXDASSA-N 1 2 361.445 2.913 20 30 FFEDLO COc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)cc1 ZINC001084792260 997390363 /nfs/dbraw/zinc/39/03/63/997390363.db2.gz TUQPWRVYAQCQJR-TZIWHRDSSA-N 1 2 361.445 2.913 20 30 FFEDLO COc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)cc1 ZINC001084792260 997390371 /nfs/dbraw/zinc/39/03/71/997390371.db2.gz TUQPWRVYAQCQJR-TZIWHRDSSA-N 1 2 361.445 2.913 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4ccccc4oc3=O)[C@@H]2C1 ZINC001084810112 997485935 /nfs/dbraw/zinc/48/59/35/997485935.db2.gz XIRSJDLAXBCIOV-GDBMZVCRSA-N 1 2 358.825 2.692 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4ccccc4oc3=O)[C@@H]2C1 ZINC001084810112 997485941 /nfs/dbraw/zinc/48/59/41/997485941.db2.gz XIRSJDLAXBCIOV-GDBMZVCRSA-N 1 2 358.825 2.692 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(OC)c(OCC)c3)[C@@H]2C1 ZINC001084819502 997537508 /nfs/dbraw/zinc/53/75/08/997537508.db2.gz DWWPEYZNVVQDHX-HZPDHXFCSA-N 1 2 364.873 2.993 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(OC)c(OCC)c3)[C@@H]2C1 ZINC001084819502 997537518 /nfs/dbraw/zinc/53/75/18/997537518.db2.gz DWWPEYZNVVQDHX-HZPDHXFCSA-N 1 2 364.873 2.993 20 30 FFEDLO CCn1cccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084834566 997586459 /nfs/dbraw/zinc/58/64/59/997586459.db2.gz JCRFIEXYMPNVHH-OXQOHEQNSA-N 1 2 366.440 2.865 20 30 FFEDLO CCn1cccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084834566 997586475 /nfs/dbraw/zinc/58/64/75/997586475.db2.gz JCRFIEXYMPNVHH-OXQOHEQNSA-N 1 2 366.440 2.865 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1OC ZINC001090932689 997814288 /nfs/dbraw/zinc/81/42/88/997814288.db2.gz NOLORIQBLQIARA-GVDBMIGSSA-N 1 2 360.502 2.831 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)n3cccc3)C[C@@H]21 ZINC001084922913 998122498 /nfs/dbraw/zinc/12/24/98/998122498.db2.gz RYXAMIPAJLKCGY-XHSDSOJGSA-N 1 2 366.303 2.881 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)n3cccc3)C[C@@H]21 ZINC001084922913 998122506 /nfs/dbraw/zinc/12/25/06/998122506.db2.gz RYXAMIPAJLKCGY-XHSDSOJGSA-N 1 2 366.303 2.881 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(O)cc3C(F)(F)F)CC2)c1 ZINC001144391731 998437553 /nfs/dbraw/zinc/43/75/53/998437553.db2.gz XGHATYAMHIJXAL-UHFFFAOYSA-N 1 2 362.355 3.000 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(F)c[nH]3)C[C@@H]21 ZINC001084991442 998570449 /nfs/dbraw/zinc/57/04/49/998570449.db2.gz DVCSDZHVIFYRTE-RISCZKNCSA-N 1 2 356.239 2.599 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(F)c[nH]3)C[C@@H]21 ZINC001084991442 998570461 /nfs/dbraw/zinc/57/04/61/998570461.db2.gz DVCSDZHVIFYRTE-RISCZKNCSA-N 1 2 356.239 2.599 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001085004769 998651628 /nfs/dbraw/zinc/65/16/28/998651628.db2.gz JFBOVQVRYKWRIL-ZBFHGGJFSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001085004769 998651629 /nfs/dbraw/zinc/65/16/29/998651629.db2.gz JFBOVQVRYKWRIL-ZBFHGGJFSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001000135767 1016240803 /nfs/dbraw/zinc/24/08/03/1016240803.db2.gz SXYVFZXDTDCXKS-IKGGRYGDSA-N 1 2 370.497 2.531 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3coc(C4CC4)n3)[C@H]2C1 ZINC001085038053 998742024 /nfs/dbraw/zinc/74/20/24/998742024.db2.gz SZJOJKLHUFTNMK-OAOYMFHYSA-N 1 2 371.481 2.566 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3coc(C4CC4)n3)[C@H]2C1 ZINC001085038053 998742028 /nfs/dbraw/zinc/74/20/28/998742028.db2.gz SZJOJKLHUFTNMK-OAOYMFHYSA-N 1 2 371.481 2.566 20 30 FFEDLO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1cnn(-c2ccccc2)n1 ZINC000738302961 999624636 /nfs/dbraw/zinc/62/46/36/999624636.db2.gz CLZLYJCWIITNEM-UHFFFAOYSA-N 1 2 360.421 2.600 20 30 FFEDLO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1cnn(-c2ccccc2)n1 ZINC000738302961 999624639 /nfs/dbraw/zinc/62/46/39/999624639.db2.gz CLZLYJCWIITNEM-UHFFFAOYSA-N 1 2 360.421 2.600 20 30 FFEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001085831232 999648259 /nfs/dbraw/zinc/64/82/59/999648259.db2.gz WNLBOKHJORWDIV-PCCBWWKXSA-N 1 2 360.461 2.790 20 30 FFEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001085831232 999648261 /nfs/dbraw/zinc/64/82/61/999648261.db2.gz WNLBOKHJORWDIV-PCCBWWKXSA-N 1 2 360.461 2.790 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001085869209 999666707 /nfs/dbraw/zinc/66/67/07/999666707.db2.gz KYFOLFIOOFUPGF-HKBOAZHASA-N 1 2 370.468 2.691 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001085869209 999666709 /nfs/dbraw/zinc/66/67/09/999666709.db2.gz KYFOLFIOOFUPGF-HKBOAZHASA-N 1 2 370.468 2.691 20 30 FFEDLO CC[N@H+](C)[C@@H](C(=O)OCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000741150686 999712007 /nfs/dbraw/zinc/71/20/07/999712007.db2.gz LBSGUELYVITJJW-LJQANCHMSA-N 1 2 351.406 2.733 20 30 FFEDLO CC[N@@H+](C)[C@@H](C(=O)OCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000741150686 999712008 /nfs/dbraw/zinc/71/20/08/999712008.db2.gz LBSGUELYVITJJW-LJQANCHMSA-N 1 2 351.406 2.733 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741356576 999723981 /nfs/dbraw/zinc/72/39/81/999723981.db2.gz YEETXLVBHWVLPQ-MJGOQNOKSA-N 1 2 371.481 2.592 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741356576 999723983 /nfs/dbraw/zinc/72/39/83/999723983.db2.gz YEETXLVBHWVLPQ-MJGOQNOKSA-N 1 2 371.481 2.592 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC001066504144 999867161 /nfs/dbraw/zinc/86/71/61/999867161.db2.gz QFTQLACQSREPPY-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC001066504144 999867162 /nfs/dbraw/zinc/86/71/62/999867162.db2.gz QFTQLACQSREPPY-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO Cc1cc(C#N)nc(N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)n1 ZINC001169514317 1000055073 /nfs/dbraw/zinc/05/50/73/1000055073.db2.gz QXUWNRPNFLJCMZ-FUHWJXTLSA-N 1 2 365.437 2.528 20 30 FFEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1Cl ZINC001108951882 1000135718 /nfs/dbraw/zinc/13/57/18/1000135718.db2.gz JBOGFTPQPZZPEX-SNPRPXQTSA-N 1 2 367.877 2.957 20 30 FFEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1Cl ZINC001108951882 1000135719 /nfs/dbraw/zinc/13/57/19/1000135719.db2.gz JBOGFTPQPZZPEX-SNPRPXQTSA-N 1 2 367.877 2.957 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)/C(C)=C\CC)C3)c1 ZINC001109009808 1000149616 /nfs/dbraw/zinc/14/96/16/1000149616.db2.gz XDDQHRDIJCPMDM-BZWZVTHBSA-N 1 2 365.477 2.684 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)/C(C)=C\CC)C3)c1 ZINC001109009808 1000149619 /nfs/dbraw/zinc/14/96/19/1000149619.db2.gz XDDQHRDIJCPMDM-BZWZVTHBSA-N 1 2 365.477 2.684 20 30 FFEDLO CCO[C@@H](CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001109012519 1000150291 /nfs/dbraw/zinc/15/02/91/1000150291.db2.gz YQBOFFFWIDQDQK-FYQPLNBISA-N 1 2 358.457 2.714 20 30 FFEDLO CCO[C@@H](CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001109012519 1000150292 /nfs/dbraw/zinc/15/02/92/1000150292.db2.gz YQBOFFFWIDQDQK-FYQPLNBISA-N 1 2 358.457 2.714 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(NC(=O)NC)cc1)C2 ZINC001096638090 1016388928 /nfs/dbraw/zinc/38/89/28/1016388928.db2.gz RFWCUNALYBHQFN-PMPSAXMXSA-N 1 2 362.861 2.526 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(NC(=O)NC)cc1)C2 ZINC001096638090 1016388937 /nfs/dbraw/zinc/38/89/37/1016388937.db2.gz RFWCUNALYBHQFN-PMPSAXMXSA-N 1 2 362.861 2.526 20 30 FFEDLO CC[C@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001109036841 1000157011 /nfs/dbraw/zinc/15/70/11/1000157011.db2.gz QYLFBPUSCFKDEE-XWSJACJDSA-N 1 2 360.885 2.838 20 30 FFEDLO CC[C@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001109036841 1000157013 /nfs/dbraw/zinc/15/70/13/1000157013.db2.gz QYLFBPUSCFKDEE-XWSJACJDSA-N 1 2 360.885 2.838 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109038167 1000157472 /nfs/dbraw/zinc/15/74/72/1000157472.db2.gz MOERGPBUHBVOLE-KTGNWYGMSA-N 1 2 371.456 2.900 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109038167 1000157473 /nfs/dbraw/zinc/15/74/73/1000157473.db2.gz MOERGPBUHBVOLE-KTGNWYGMSA-N 1 2 371.456 2.900 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1Cl ZINC001109072580 1000161856 /nfs/dbraw/zinc/16/18/56/1000161856.db2.gz IZVFBXZWLDLQRI-PVAVHDDUSA-N 1 2 352.837 2.903 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1Cl ZINC001109072580 1000161858 /nfs/dbraw/zinc/16/18/58/1000161858.db2.gz IZVFBXZWLDLQRI-PVAVHDDUSA-N 1 2 352.837 2.903 20 30 FFEDLO Cc1cc(NC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c(C)c[nH+]1 ZINC000767950820 1000164545 /nfs/dbraw/zinc/16/45/45/1000164545.db2.gz RTJLGBDHHNYEHO-UHFFFAOYSA-N 1 2 365.437 2.597 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001109343029 1000290615 /nfs/dbraw/zinc/29/06/15/1000290615.db2.gz GTHSJQCLNMPGOX-SQNIBIBYSA-N 1 2 373.541 2.615 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001109343029 1000290617 /nfs/dbraw/zinc/29/06/17/1000290617.db2.gz GTHSJQCLNMPGOX-SQNIBIBYSA-N 1 2 373.541 2.615 20 30 FFEDLO COCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)CC1 ZINC001109387514 1000366680 /nfs/dbraw/zinc/36/66/80/1000366680.db2.gz QGPIPSKWDMKXJA-AABGKKOBSA-N 1 2 370.468 2.715 20 30 FFEDLO COCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)CC1 ZINC001109387514 1000366684 /nfs/dbraw/zinc/36/66/84/1000366684.db2.gz QGPIPSKWDMKXJA-AABGKKOBSA-N 1 2 370.468 2.715 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001091293314 1000378903 /nfs/dbraw/zinc/37/89/03/1000378903.db2.gz WWUANASPTQVRHL-CLCXKQKWSA-N 1 2 360.506 2.688 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1oc3c(cccc3F)c1C)C2 ZINC001109403408 1000389552 /nfs/dbraw/zinc/38/95/52/1000389552.db2.gz FKTJJXJBBOYWPX-JLSDUUJJSA-N 1 2 370.424 2.865 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1oc3c(cccc3F)c1C)C2 ZINC001109403408 1000389559 /nfs/dbraw/zinc/38/95/59/1000389559.db2.gz FKTJJXJBBOYWPX-JLSDUUJJSA-N 1 2 370.424 2.865 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC1CCCC1)C2 ZINC001109415063 1000416134 /nfs/dbraw/zinc/41/61/34/1000416134.db2.gz BVEPNQDQQPOZPO-HKBOAZHASA-N 1 2 367.493 2.987 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC1CCCC1)C2 ZINC001109415063 1000416140 /nfs/dbraw/zinc/41/61/40/1000416140.db2.gz BVEPNQDQQPOZPO-HKBOAZHASA-N 1 2 367.493 2.987 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000846933784 1000482235 /nfs/dbraw/zinc/48/22/35/1000482235.db2.gz XHJXTXQPVDXAEG-ZWKOTPCHSA-N 1 2 352.438 2.631 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000846933784 1000482239 /nfs/dbraw/zinc/48/22/39/1000482239.db2.gz XHJXTXQPVDXAEG-ZWKOTPCHSA-N 1 2 352.438 2.631 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)nn1 ZINC000846990494 1000506647 /nfs/dbraw/zinc/50/66/47/1000506647.db2.gz AXZUUDTYKGIODI-LJQANCHMSA-N 1 2 361.490 2.830 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)nn1 ZINC000846990494 1000506651 /nfs/dbraw/zinc/50/66/51/1000506651.db2.gz AXZUUDTYKGIODI-LJQANCHMSA-N 1 2 361.490 2.830 20 30 FFEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)C1 ZINC000847033914 1000525870 /nfs/dbraw/zinc/52/58/70/1000525870.db2.gz QKHAYNDFYUTPIV-WBVHZDCISA-N 1 2 351.406 2.896 20 30 FFEDLO C#C[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)C1 ZINC000847033914 1000525876 /nfs/dbraw/zinc/52/58/76/1000525876.db2.gz QKHAYNDFYUTPIV-WBVHZDCISA-N 1 2 351.406 2.896 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCc1ccc(OC)cc1)C2 ZINC001109480933 1000539207 /nfs/dbraw/zinc/53/92/07/1000539207.db2.gz JSDVDXKJGPROHY-NJAFHUGGSA-N 1 2 364.873 2.686 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCc1ccc(OC)cc1)C2 ZINC001109480933 1000539211 /nfs/dbraw/zinc/53/92/11/1000539211.db2.gz JSDVDXKJGPROHY-NJAFHUGGSA-N 1 2 364.873 2.686 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccc(C)cc1 ZINC001109605703 1000715309 /nfs/dbraw/zinc/71/53/09/1000715309.db2.gz NQRMPXAWMNGHPL-QYZOEREBSA-N 1 2 369.509 2.545 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccc(C)cc1 ZINC001109605703 1000715312 /nfs/dbraw/zinc/71/53/12/1000715312.db2.gz NQRMPXAWMNGHPL-QYZOEREBSA-N 1 2 369.509 2.545 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001109683168 1000838907 /nfs/dbraw/zinc/83/89/07/1000838907.db2.gz AABRRJOBKHVNIN-BZDHPDOMSA-N 1 2 373.541 2.615 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001109683168 1000838915 /nfs/dbraw/zinc/83/89/15/1000838915.db2.gz AABRRJOBKHVNIN-BZDHPDOMSA-N 1 2 373.541 2.615 20 30 FFEDLO CC(F)(F)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109686864 1000849039 /nfs/dbraw/zinc/84/90/39/1000849039.db2.gz MHBXASXMGXIEJU-KBMXLJTQSA-N 1 2 351.372 2.964 20 30 FFEDLO CC(F)(F)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109686864 1000849045 /nfs/dbraw/zinc/84/90/45/1000849045.db2.gz MHBXASXMGXIEJU-KBMXLJTQSA-N 1 2 351.372 2.964 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091626507 1000867896 /nfs/dbraw/zinc/86/78/96/1000867896.db2.gz JWQRAIJAXXNDAY-CWRNSKLLSA-N 1 2 360.506 2.545 20 30 FFEDLO Cc1ccc(C#N)c(N[C@@H]2CC[C@H](CNC(=O)C[C@@H](C)n3cc[nH+]c3)C2)n1 ZINC001091643592 1000936474 /nfs/dbraw/zinc/93/64/74/1000936474.db2.gz MAJVBZVUJJBTDJ-SOLBZPMBSA-N 1 2 366.469 2.806 20 30 FFEDLO C#CCOCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001091688318 1001081762 /nfs/dbraw/zinc/08/17/62/1001081762.db2.gz DNMYTWWTMCQHQX-QAPCUYQASA-N 1 2 370.497 2.741 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@H]2C[N@@H+]([C@@H](C)c3csnn3)C[C@@]2(C)C1 ZINC001091740874 1001186572 /nfs/dbraw/zinc/18/65/72/1001186572.db2.gz NHUDZTLZGSIASN-KHYOSLBOSA-N 1 2 371.510 2.681 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@H]2C[N@H+]([C@@H](C)c3csnn3)C[C@@]2(C)C1 ZINC001091740874 1001186578 /nfs/dbraw/zinc/18/65/78/1001186578.db2.gz NHUDZTLZGSIASN-KHYOSLBOSA-N 1 2 371.510 2.681 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CCC)c1ccccc1)C2 ZINC001110068173 1001430851 /nfs/dbraw/zinc/43/08/51/1001430851.db2.gz ROBNNMFPBUKJSP-ZRNYENFQSA-N 1 2 369.509 2.594 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CCC)c1ccccc1)C2 ZINC001110068173 1001430853 /nfs/dbraw/zinc/43/08/53/1001430853.db2.gz ROBNNMFPBUKJSP-ZRNYENFQSA-N 1 2 369.509 2.594 20 30 FFEDLO C=C[C@@H]1CCCC[N@H+]1CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000785997498 1001515426 /nfs/dbraw/zinc/51/54/26/1001515426.db2.gz PTZWNVSZYCXTOC-VQIMIIECSA-N 1 2 369.465 2.898 20 30 FFEDLO C=C[C@@H]1CCCC[N@@H+]1CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000785997498 1001515429 /nfs/dbraw/zinc/51/54/29/1001515429.db2.gz PTZWNVSZYCXTOC-VQIMIIECSA-N 1 2 369.465 2.898 20 30 FFEDLO COCC[N@H+](CC(=O)/C=C1\N(C)c2ccccc2C1(C)C)[C@@H]1CCOC1 ZINC000786189626 1001546032 /nfs/dbraw/zinc/54/60/32/1001546032.db2.gz JEJMBEBCFSFKGW-FPXKJXHESA-N 1 2 358.482 2.604 20 30 FFEDLO COCC[N@@H+](CC(=O)/C=C1\N(C)c2ccccc2C1(C)C)[C@@H]1CCOC1 ZINC000786189626 1001546035 /nfs/dbraw/zinc/54/60/35/1001546035.db2.gz JEJMBEBCFSFKGW-FPXKJXHESA-N 1 2 358.482 2.604 20 30 FFEDLO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3ncc(Br)s3)C2)C1=O ZINC001276204894 1016532596 /nfs/dbraw/zinc/53/25/96/1016532596.db2.gz PBOWHDAVROSUNA-HNNXBMFYSA-N 1 2 370.316 2.906 20 30 FFEDLO C=C(C)CN1CC[C@]2(CC[N@@H+](Cc3ncc(Br)s3)C2)C1=O ZINC001276204894 1016532609 /nfs/dbraw/zinc/53/26/09/1016532609.db2.gz PBOWHDAVROSUNA-HNNXBMFYSA-N 1 2 370.316 2.906 20 30 FFEDLO CCc1oncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097958166 1016532704 /nfs/dbraw/zinc/53/27/04/1016532704.db2.gz CACFMOIBBHFBFS-NXHRZFHOSA-N 1 2 350.422 2.644 20 30 FFEDLO CCc1oncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097958166 1016532718 /nfs/dbraw/zinc/53/27/18/1016532718.db2.gz CACFMOIBBHFBFS-NXHRZFHOSA-N 1 2 350.422 2.644 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096788391 1016542798 /nfs/dbraw/zinc/54/27/98/1016542798.db2.gz JAONHNIGXIREAK-NXHRZFHOSA-N 1 2 368.412 2.838 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096788391 1016542809 /nfs/dbraw/zinc/54/28/09/1016542809.db2.gz JAONHNIGXIREAK-NXHRZFHOSA-N 1 2 368.412 2.838 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)(C)C)[nH]3)C[C@@]2(C)C1 ZINC001091917407 1002069610 /nfs/dbraw/zinc/06/96/10/1002069610.db2.gz WRJYYNREHZLCGX-VLIAUNLRSA-N 1 2 359.518 2.595 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)(C)C)[nH]3)C[C@@]2(C)C1 ZINC001091917407 1002069622 /nfs/dbraw/zinc/06/96/22/1002069622.db2.gz WRJYYNREHZLCGX-VLIAUNLRSA-N 1 2 359.518 2.595 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3noc(-c4ccoc4)n3)C[C@@]2(C)C1 ZINC001091918599 1002070189 /nfs/dbraw/zinc/07/01/89/1002070189.db2.gz MDMKJWCRGVDBRK-QRWLVFNGSA-N 1 2 370.453 2.822 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3noc(-c4ccoc4)n3)C[C@@]2(C)C1 ZINC001091918599 1002070208 /nfs/dbraw/zinc/07/02/08/1002070208.db2.gz MDMKJWCRGVDBRK-QRWLVFNGSA-N 1 2 370.453 2.822 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001086577687 1002139758 /nfs/dbraw/zinc/13/97/58/1002139758.db2.gz ZQUVVZDORPFZNV-ZWKOTPCHSA-N 1 2 358.873 2.528 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001086577687 1002139769 /nfs/dbraw/zinc/13/97/69/1002139769.db2.gz ZQUVVZDORPFZNV-ZWKOTPCHSA-N 1 2 358.873 2.528 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001183767620 1002371788 /nfs/dbraw/zinc/37/17/88/1002371788.db2.gz SODVADQBNNDJAI-GOSISDBHSA-N 1 2 373.497 2.625 20 30 FFEDLO Cc1cc(C[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)on1 ZINC001183830159 1002402216 /nfs/dbraw/zinc/40/22/16/1002402216.db2.gz VIIMURHGPYGUMS-FOIQADDNSA-N 1 2 366.465 2.957 20 30 FFEDLO Cc1cc(C[C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)on1 ZINC001183830159 1002402220 /nfs/dbraw/zinc/40/22/20/1002402220.db2.gz VIIMURHGPYGUMS-FOIQADDNSA-N 1 2 366.465 2.957 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C)C2 ZINC001110128892 1002436026 /nfs/dbraw/zinc/43/60/26/1002436026.db2.gz GWEWPKBOIGNVJV-OJNRCAJQSA-N 1 2 364.921 2.690 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C)C2 ZINC001110128892 1002436030 /nfs/dbraw/zinc/43/60/30/1002436030.db2.gz GWEWPKBOIGNVJV-OJNRCAJQSA-N 1 2 364.921 2.690 20 30 FFEDLO C=CCCC(=O)NC[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001054846307 1016650704 /nfs/dbraw/zinc/65/07/04/1016650704.db2.gz PEUGUOCCQXPYBL-QBPKDAKJSA-N 1 2 358.486 2.518 20 30 FFEDLO C=CCCC(=O)NC[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001054846307 1016650721 /nfs/dbraw/zinc/65/07/21/1016650721.db2.gz PEUGUOCCQXPYBL-QBPKDAKJSA-N 1 2 358.486 2.518 20 30 FFEDLO C[C@@H](c1nnc(Sc2ccnc(C#N)n2)n1-c1ccc(F)cc1)[NH+](C)C ZINC001184687795 1002700834 /nfs/dbraw/zinc/70/08/34/1002700834.db2.gz AQBFFBZUHJWKHS-NSHDSACASA-N 1 2 369.429 2.842 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccnc(F)c2)C3)cc1F ZINC001096871261 1016659939 /nfs/dbraw/zinc/65/99/39/1016659939.db2.gz ATMOELIGBJHYJW-NXHRZFHOSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccnc(F)c2)C3)cc1F ZINC001096871261 1016659946 /nfs/dbraw/zinc/65/99/46/1016659946.db2.gz ATMOELIGBJHYJW-NXHRZFHOSA-N 1 2 368.387 2.767 20 30 FFEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1C)c1nccn12 ZINC001092402163 1002778567 /nfs/dbraw/zinc/77/85/67/1002778567.db2.gz MOCZZUKLOGDIAU-OTWHNJEPSA-N 1 2 362.477 2.753 20 30 FFEDLO C=CCCOCCCCC(=O)NC[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001092407926 1002876100 /nfs/dbraw/zinc/87/61/00/1002876100.db2.gz BALWMHCWYRHUCI-SJLPKXTDSA-N 1 2 360.502 2.737 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110366223 1003014351 /nfs/dbraw/zinc/01/43/51/1003014351.db2.gz MOERGPBUHBVOLE-GVXRKXQCSA-N 1 2 371.456 2.900 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110366223 1003014363 /nfs/dbraw/zinc/01/43/63/1003014363.db2.gz MOERGPBUHBVOLE-GVXRKXQCSA-N 1 2 371.456 2.900 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)n1 ZINC001110366586 1003016966 /nfs/dbraw/zinc/01/69/66/1003016966.db2.gz WQBOSXLVOIEWLJ-SVGFKBNWSA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)n1 ZINC001110366586 1003016978 /nfs/dbraw/zinc/01/69/78/1003016978.db2.gz WQBOSXLVOIEWLJ-SVGFKBNWSA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC001110377940 1003250617 /nfs/dbraw/zinc/25/06/17/1003250617.db2.gz ZFGRTQSAYJYNJC-WLWJZTKJSA-N 1 2 371.481 2.710 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC001110377940 1003250630 /nfs/dbraw/zinc/25/06/30/1003250630.db2.gz ZFGRTQSAYJYNJC-WLWJZTKJSA-N 1 2 371.481 2.710 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCCCC1 ZINC001110378868 1003272116 /nfs/dbraw/zinc/27/21/16/1003272116.db2.gz LVLMHWWQQWQBKJ-QRVBRYPASA-N 1 2 361.530 2.903 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCCCC1 ZINC001110378868 1003272120 /nfs/dbraw/zinc/27/21/20/1003272120.db2.gz LVLMHWWQQWQBKJ-QRVBRYPASA-N 1 2 361.530 2.903 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2nccc2C)C1 ZINC001086612247 1003308561 /nfs/dbraw/zinc/30/85/61/1003308561.db2.gz IKBUVOMDEFRWJJ-ZWKOTPCHSA-N 1 2 358.873 2.528 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2nccc2C)C1 ZINC001086612247 1003308573 /nfs/dbraw/zinc/30/85/73/1003308573.db2.gz IKBUVOMDEFRWJJ-ZWKOTPCHSA-N 1 2 358.873 2.528 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H](CNc2ncnc3c2C[N@H+](C)CC3)[C@H](C)C1 ZINC001092662696 1003373387 /nfs/dbraw/zinc/37/33/87/1003373387.db2.gz YQCQXCBGPJGTCY-HZPDHXFCSA-N 1 2 371.529 2.573 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H](CNc2ncnc3c2C[N@@H+](C)CC3)[C@H](C)C1 ZINC001092662696 1003373394 /nfs/dbraw/zinc/37/33/94/1003373394.db2.gz YQCQXCBGPJGTCY-HZPDHXFCSA-N 1 2 371.529 2.573 20 30 FFEDLO CC(C)[C@@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1ccc(C#N)cn1 ZINC001114121065 1003402275 /nfs/dbraw/zinc/40/22/75/1003402275.db2.gz GGGTWGMRWWUPNE-BRWVUGGUSA-N 1 2 366.469 2.765 20 30 FFEDLO CC(C)[C@@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1ccc(C#N)cn1 ZINC001114121065 1003402282 /nfs/dbraw/zinc/40/22/82/1003402282.db2.gz GGGTWGMRWWUPNE-BRWVUGGUSA-N 1 2 366.469 2.765 20 30 FFEDLO CN(CC[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCCC2)c1ccccc1 ZINC000793499261 1003410156 /nfs/dbraw/zinc/41/01/56/1003410156.db2.gz QMXPUHDQTXGYJC-UHFFFAOYSA-N 1 2 350.466 2.624 20 30 FFEDLO CN(CC[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCCC2)c1ccccc1 ZINC000793499261 1003410166 /nfs/dbraw/zinc/41/01/66/1003410166.db2.gz QMXPUHDQTXGYJC-UHFFFAOYSA-N 1 2 350.466 2.624 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(-c2ccccc2)on1 ZINC001110385185 1003445348 /nfs/dbraw/zinc/44/53/48/1003445348.db2.gz PEYMVNRWPZZUSG-QRVBRYPASA-N 1 2 367.449 2.766 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(-c2ccccc2)on1 ZINC001110385185 1003445353 /nfs/dbraw/zinc/44/53/53/1003445353.db2.gz PEYMVNRWPZZUSG-QRVBRYPASA-N 1 2 367.449 2.766 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[C@@]2(CNC(=O)Cc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001092701385 1003449767 /nfs/dbraw/zinc/44/97/67/1003449767.db2.gz ICSIMGPIBUPJQE-YLJYHZDGSA-N 1 2 367.428 2.528 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001092806604 1003558038 /nfs/dbraw/zinc/55/80/38/1003558038.db2.gz VDQSKFOHEVDSLG-BGTYHANMSA-N 1 2 358.486 2.609 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(Cl)cccc1OC ZINC001110390265 1003590145 /nfs/dbraw/zinc/59/01/45/1003590145.db2.gz FAOVLZHKMQKTLG-XYPHTWIQSA-N 1 2 364.873 2.773 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(Cl)cccc1OC ZINC001110390265 1003590148 /nfs/dbraw/zinc/59/01/48/1003590148.db2.gz FAOVLZHKMQKTLG-XYPHTWIQSA-N 1 2 364.873 2.773 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nsc2ccccc12 ZINC001110390349 1003590315 /nfs/dbraw/zinc/59/03/15/1003590315.db2.gz JIPJUJQABVLGGK-UNEWFSDZSA-N 1 2 357.479 2.720 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nsc2ccccc12 ZINC001110390349 1003590322 /nfs/dbraw/zinc/59/03/22/1003590322.db2.gz JIPJUJQABVLGGK-UNEWFSDZSA-N 1 2 357.479 2.720 20 30 FFEDLO Cc1noc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)c1C ZINC001095592121 1016815291 /nfs/dbraw/zinc/81/52/91/1016815291.db2.gz DESWBKBTDOIHQF-KCXAZCMYSA-N 1 2 356.451 2.760 20 30 FFEDLO Cc1noc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)c1C ZINC001095592121 1016815304 /nfs/dbraw/zinc/81/53/04/1016815304.db2.gz DESWBKBTDOIHQF-KCXAZCMYSA-N 1 2 356.451 2.760 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)o2)C[C@H]1O ZINC001196481917 1003785553 /nfs/dbraw/zinc/78/55/53/1003785553.db2.gz HILDOAWGURRRCI-QZTJIDSGSA-N 1 2 369.465 2.605 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)o2)C[C@H]1O ZINC001196481917 1003785564 /nfs/dbraw/zinc/78/55/64/1003785564.db2.gz HILDOAWGURRRCI-QZTJIDSGSA-N 1 2 369.465 2.605 20 30 FFEDLO N#Cc1cccc([C@H](O)C[NH+]2CCN(Cc3ccc(O)c(Cl)c3)CC2)c1 ZINC001197078093 1004074659 /nfs/dbraw/zinc/07/46/59/1004074659.db2.gz RFIIZGCZZJBADC-HXUWFJFHSA-N 1 2 371.868 2.768 20 30 FFEDLO CC[C@@H]1C[C@@H](N2CC[NH2+]C[C@@H]2C#N)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170484958 1004082804 /nfs/dbraw/zinc/08/28/04/1004082804.db2.gz SFOHDVQCYWENBE-YVSFHVDLSA-N 1 2 350.507 2.740 20 30 FFEDLO CCC(CC)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001197198935 1004118940 /nfs/dbraw/zinc/11/89/40/1004118940.db2.gz ZSIBYZBLFNXJFZ-QZTJIDSGSA-N 1 2 361.461 2.575 20 30 FFEDLO CCC(CC)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001197198935 1004118943 /nfs/dbraw/zinc/11/89/43/1004118943.db2.gz ZSIBYZBLFNXJFZ-QZTJIDSGSA-N 1 2 361.461 2.575 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH]ccc-3n1)C2 ZINC001095619664 1016870732 /nfs/dbraw/zinc/87/07/32/1016870732.db2.gz ORWXXRZUFPQQBB-LMNJBCLMSA-N 1 2 371.444 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH]ccc-3n1)C2 ZINC001095619664 1016870750 /nfs/dbraw/zinc/87/07/50/1016870750.db2.gz ORWXXRZUFPQQBB-LMNJBCLMSA-N 1 2 371.444 2.970 20 30 FFEDLO N#Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001095619664 1016870762 /nfs/dbraw/zinc/87/07/62/1016870762.db2.gz ORWXXRZUFPQQBB-LMNJBCLMSA-N 1 2 371.444 2.970 20 30 FFEDLO CC(C)(C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001193201646 1004400883 /nfs/dbraw/zinc/40/08/83/1004400883.db2.gz OHSOUBINGZDRAI-IAGOWNOFSA-N 1 2 363.527 2.888 20 30 FFEDLO CC(C)(C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001193201646 1004400886 /nfs/dbraw/zinc/40/08/86/1004400886.db2.gz OHSOUBINGZDRAI-IAGOWNOFSA-N 1 2 363.527 2.888 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccc(F)cc2o1 ZINC001110497603 1004418870 /nfs/dbraw/zinc/41/88/70/1004418870.db2.gz ZCJSZXIMWKKQNU-OIISXLGYSA-N 1 2 355.413 2.992 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccc(F)cc2o1 ZINC001110497603 1004418877 /nfs/dbraw/zinc/41/88/77/1004418877.db2.gz ZCJSZXIMWKKQNU-OIISXLGYSA-N 1 2 355.413 2.992 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(C)C)n2)C[C@H]1O ZINC001193258885 1004423691 /nfs/dbraw/zinc/42/36/91/1004423691.db2.gz QGHNIKWHONPZIS-IAGOWNOFSA-N 1 2 365.905 2.645 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(C)C)n2)C[C@H]1O ZINC001193258885 1004423695 /nfs/dbraw/zinc/42/36/95/1004423695.db2.gz QGHNIKWHONPZIS-IAGOWNOFSA-N 1 2 365.905 2.645 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C3CC3)no2)C[C@H]1O ZINC001198087974 1004477135 /nfs/dbraw/zinc/47/71/35/1004477135.db2.gz RDTQXZVQDJQORY-RTBURBONSA-N 1 2 363.502 2.964 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1O ZINC001198087974 1004477140 /nfs/dbraw/zinc/47/71/40/1004477140.db2.gz RDTQXZVQDJQORY-RTBURBONSA-N 1 2 363.502 2.964 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H]1O ZINC001198103583 1004495812 /nfs/dbraw/zinc/49/58/12/1004495812.db2.gz LNYXRECJPBZSAF-QZTJIDSGSA-N 1 2 351.491 2.785 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1O ZINC001198103583 1004495814 /nfs/dbraw/zinc/49/58/14/1004495814.db2.gz LNYXRECJPBZSAF-QZTJIDSGSA-N 1 2 351.491 2.785 20 30 FFEDLO CCC[C@H](CC1CCCC1)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131081928 1004705941 /nfs/dbraw/zinc/70/59/41/1004705941.db2.gz FHTHQYKNPWCIQW-GUDVDZBRSA-N 1 2 371.529 2.824 20 30 FFEDLO CCCCCCCCCOC(=O)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001194920609 1004844098 /nfs/dbraw/zinc/84/40/98/1004844098.db2.gz KFZKCQZWBNFJEU-INIZCTEOSA-N 1 2 353.463 2.981 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1O ZINC001195277272 1004930019 /nfs/dbraw/zinc/93/00/19/1004930019.db2.gz DNRVAJDPGBZLRR-RTBURBONSA-N 1 2 369.465 2.605 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1O ZINC001195277272 1004930024 /nfs/dbraw/zinc/93/00/24/1004930024.db2.gz DNRVAJDPGBZLRR-RTBURBONSA-N 1 2 369.465 2.605 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1O ZINC001195923801 1005074989 /nfs/dbraw/zinc/07/49/89/1005074989.db2.gz MCHQZBCTTDFZND-SFHLNBCPSA-N 1 2 369.465 2.605 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1O ZINC001195923801 1005074997 /nfs/dbraw/zinc/07/49/97/1005074997.db2.gz MCHQZBCTTDFZND-SFHLNBCPSA-N 1 2 369.465 2.605 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)C)C1 ZINC001487607613 1005081768 /nfs/dbraw/zinc/08/17/68/1005081768.db2.gz YXLWQCTURJWQMQ-BZUAXINKSA-N 1 2 358.486 2.517 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)C)C1 ZINC001487607613 1005081772 /nfs/dbraw/zinc/08/17/72/1005081772.db2.gz YXLWQCTURJWQMQ-BZUAXINKSA-N 1 2 358.486 2.517 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001098019892 1016960881 /nfs/dbraw/zinc/96/08/81/1016960881.db2.gz SKTVHGGIKQPKDH-TXVWBRJLSA-N 1 2 365.477 2.761 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001098019892 1016960897 /nfs/dbraw/zinc/96/08/97/1016960897.db2.gz SKTVHGGIKQPKDH-TXVWBRJLSA-N 1 2 365.477 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]Cc2ncccn2)cc1 ZINC001050274145 1016955923 /nfs/dbraw/zinc/95/59/23/1016955923.db2.gz PDQNUZDOUKKWPP-LZQZEXGQSA-N 1 2 366.465 2.535 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C(C)C)o3)CC[C@@H]2C1 ZINC001489184352 1005427272 /nfs/dbraw/zinc/42/72/72/1005427272.db2.gz ZAHZRWNAALCICP-SJORKVTESA-N 1 2 358.486 2.667 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C(C)C)o3)CC[C@@H]2C1 ZINC001489184352 1005427275 /nfs/dbraw/zinc/42/72/75/1005427275.db2.gz ZAHZRWNAALCICP-SJORKVTESA-N 1 2 358.486 2.667 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001489251303 1005438588 /nfs/dbraw/zinc/43/85/88/1005438588.db2.gz QZSBSHDRIIZLCK-CLCXKQKWSA-N 1 2 361.461 2.837 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001489251303 1005438589 /nfs/dbraw/zinc/43/85/89/1005438589.db2.gz QZSBSHDRIIZLCK-CLCXKQKWSA-N 1 2 361.461 2.837 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001489658347 1005521194 /nfs/dbraw/zinc/52/11/94/1005521194.db2.gz QZLRRNSVKGIVAK-RDTXWAMCSA-N 1 2 352.438 2.592 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC001490111319 1005648699 /nfs/dbraw/zinc/64/86/99/1005648699.db2.gz XYQKPWKWFMQVJT-PMPSAXMXSA-N 1 2 354.454 2.656 20 30 FFEDLO CCCCCC[C@](O)(C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)C(=O)OC ZINC000851882102 1005919886 /nfs/dbraw/zinc/91/98/86/1005919886.db2.gz UYTXMAGKVLNISE-CTNGQTDRSA-N 1 2 374.481 2.806 20 30 FFEDLO CCCCCC[C@](O)(C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)C(=O)OC ZINC000851882102 1005919887 /nfs/dbraw/zinc/91/98/87/1005919887.db2.gz UYTXMAGKVLNISE-CTNGQTDRSA-N 1 2 374.481 2.806 20 30 FFEDLO CCCCCC[C@@](O)(C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1)C(=O)OC ZINC000851882104 1005920053 /nfs/dbraw/zinc/92/00/53/1005920053.db2.gz UYTXMAGKVLNISE-PZJWPPBQSA-N 1 2 374.481 2.806 20 30 FFEDLO CCCCCC[C@@](O)(C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)C(=O)OC ZINC000851882104 1005920057 /nfs/dbraw/zinc/92/00/57/1005920057.db2.gz UYTXMAGKVLNISE-PZJWPPBQSA-N 1 2 374.481 2.806 20 30 FFEDLO N#C[C@@H](C(=O)C[N@H+]1CCC[C@@H](CCF)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000852533913 1006070694 /nfs/dbraw/zinc/07/06/94/1006070694.db2.gz ZTSYMBKODNBCGA-ZFWWWQNUSA-N 1 2 356.401 2.583 20 30 FFEDLO N#C[C@@H](C(=O)C[N@@H+]1CCC[C@@H](CCF)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000852533913 1006070705 /nfs/dbraw/zinc/07/07/05/1006070705.db2.gz ZTSYMBKODNBCGA-ZFWWWQNUSA-N 1 2 356.401 2.583 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](Cc3noc4c3CC(C)(C)CC4)C[C@H]21 ZINC001187840716 1006269379 /nfs/dbraw/zinc/26/93/79/1006269379.db2.gz JDPPIUANMNOXAX-QFBILLFUSA-N 1 2 369.509 2.882 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@@H+](Cc3noc4c3CC(C)(C)CC4)C[C@H]21 ZINC001187840716 1006269384 /nfs/dbraw/zinc/26/93/84/1006269384.db2.gz JDPPIUANMNOXAX-QFBILLFUSA-N 1 2 369.509 2.882 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4ccco4)no3)C[C@H]21 ZINC001188057017 1006413384 /nfs/dbraw/zinc/41/33/84/1006413384.db2.gz JFKQKPDRUJGZJK-LSDHHAIUSA-N 1 2 370.453 2.965 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4ccco4)no3)C[C@H]21 ZINC001188057017 1006413391 /nfs/dbraw/zinc/41/33/91/1006413391.db2.gz JFKQKPDRUJGZJK-LSDHHAIUSA-N 1 2 370.453 2.965 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC001135068059 1006655347 /nfs/dbraw/zinc/65/53/47/1006655347.db2.gz ZFAVORJADSKDMP-ILXRZTDVSA-N 1 2 364.490 2.505 20 30 FFEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(-c2ccc(C#N)c(F)c2)cc1 ZINC001188711118 1006680079 /nfs/dbraw/zinc/68/00/79/1006680079.db2.gz DBMPIUFNKKPJRO-OAHLLOKOSA-N 1 2 367.424 2.815 20 30 FFEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(-c2ccc(C#N)c(F)c2)cc1 ZINC001188711118 1006680082 /nfs/dbraw/zinc/68/00/82/1006680082.db2.gz DBMPIUFNKKPJRO-OAHLLOKOSA-N 1 2 367.424 2.815 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Br)c1 ZINC001110402001 1006717640 /nfs/dbraw/zinc/71/76/40/1006717640.db2.gz URYJTBTTZVTJKE-SRMUXQRQSA-N 1 2 362.271 2.830 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Br)c1 ZINC001110402001 1006717655 /nfs/dbraw/zinc/71/76/55/1006717655.db2.gz URYJTBTTZVTJKE-SRMUXQRQSA-N 1 2 362.271 2.830 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001188876076 1006760981 /nfs/dbraw/zinc/76/09/81/1006760981.db2.gz RJGYGOHJFIPYHP-ZIFCJYIRSA-N 1 2 355.482 2.760 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001188876076 1006760997 /nfs/dbraw/zinc/76/09/97/1006760997.db2.gz RJGYGOHJFIPYHP-ZIFCJYIRSA-N 1 2 355.482 2.760 20 30 FFEDLO CCCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110407927 1007076561 /nfs/dbraw/zinc/07/65/61/1007076561.db2.gz JBEOCZYNDDDSHJ-QRQLOZEOSA-N 1 2 359.445 2.736 20 30 FFEDLO CCCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110407927 1007076576 /nfs/dbraw/zinc/07/65/76/1007076576.db2.gz JBEOCZYNDDDSHJ-QRQLOZEOSA-N 1 2 359.445 2.736 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000884067913 1007212798 /nfs/dbraw/zinc/21/27/98/1007212798.db2.gz WIBHUJVAORBHQH-UXHICEINSA-N 1 2 364.445 2.607 20 30 FFEDLO CC(Cn1nc(C)cc1C)=NOCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817376302 1007568303 /nfs/dbraw/zinc/56/83/03/1007568303.db2.gz CAXFJRQTXQHQCR-UHFFFAOYSA-N 1 2 356.470 2.925 20 30 FFEDLO CCCC[C@H](CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001191237878 1007945269 /nfs/dbraw/zinc/94/52/69/1007945269.db2.gz PBNDWKSSUPMWLF-DFQSSKMNSA-N 1 2 360.473 2.555 20 30 FFEDLO CCCC[C@H](CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001191237878 1007945271 /nfs/dbraw/zinc/94/52/71/1007945271.db2.gz PBNDWKSSUPMWLF-DFQSSKMNSA-N 1 2 360.473 2.555 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000820629069 1008352836 /nfs/dbraw/zinc/35/28/36/1008352836.db2.gz GIQJTSHDWUGTAT-UHFFFAOYSA-N 1 2 373.478 2.736 20 30 FFEDLO C#CC[C@@H](COC)Nc1nc(N[C@@H](CC#C)COC)c2ccccc2[nH+]1 ZINC000858859201 1008438636 /nfs/dbraw/zinc/43/86/36/1008438636.db2.gz DQFZHUSFFQJURC-HOTGVXAUSA-N 1 2 352.438 2.530 20 30 FFEDLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000805775921 1008513752 /nfs/dbraw/zinc/51/37/52/1008513752.db2.gz LDNAIYQRZPUWQR-MRXNPFEDSA-N 1 2 373.453 2.836 20 30 FFEDLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000805775921 1008513755 /nfs/dbraw/zinc/51/37/55/1008513755.db2.gz LDNAIYQRZPUWQR-MRXNPFEDSA-N 1 2 373.453 2.836 20 30 FFEDLO N#CC1(C[C@@H](O)C[NH+]2CCN(C(=O)c3cc4occc4s3)CC2)CCC1 ZINC000886018575 1008517201 /nfs/dbraw/zinc/51/72/01/1008517201.db2.gz CXFAMPLQDAHNKI-CQSZACIVSA-N 1 2 373.478 2.697 20 30 FFEDLO N#C[C@@H](Cc1cccs1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001177912518 1008782790 /nfs/dbraw/zinc/78/27/90/1008782790.db2.gz QLXUFABDTOGLQF-UKRRQHHQSA-N 1 2 353.438 2.762 20 30 FFEDLO CCOC(=O)CCCc1ccc(C#N)cc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177926239 1008793105 /nfs/dbraw/zinc/79/31/05/1008793105.db2.gz FTFPSNGGUACZLP-CQSZACIVSA-N 1 2 354.410 2.840 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3ccccc3CC#N)C2)c1 ZINC000826568951 1009190173 /nfs/dbraw/zinc/19/01/73/1009190173.db2.gz LFVQNZGUAFINKY-FQEVSTJZSA-N 1 2 363.461 2.692 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3ccccc3CC#N)C2)c1 ZINC000826568951 1009190177 /nfs/dbraw/zinc/19/01/77/1009190177.db2.gz LFVQNZGUAFINKY-FQEVSTJZSA-N 1 2 363.461 2.692 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1)n1cccc1 ZINC001095316617 1009271295 /nfs/dbraw/zinc/27/12/95/1009271295.db2.gz REPLNVZCNVGPLR-KTGNWYGMSA-N 1 2 366.440 2.982 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1)n1cccc1 ZINC001095316617 1009271304 /nfs/dbraw/zinc/27/13/04/1009271304.db2.gz REPLNVZCNVGPLR-KTGNWYGMSA-N 1 2 366.440 2.982 20 30 FFEDLO CC#CC(=O)N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001179750903 1009439020 /nfs/dbraw/zinc/43/90/20/1009439020.db2.gz VZPUXWYFBOUIRB-UHFFFAOYSA-N 1 2 362.477 2.727 20 30 FFEDLO CC#CC(=O)N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001179750903 1009439026 /nfs/dbraw/zinc/43/90/26/1009439026.db2.gz VZPUXWYFBOUIRB-UHFFFAOYSA-N 1 2 362.477 2.727 20 30 FFEDLO N#Cc1ccc(C2CCN(C(=O)C3([NH+]4CCOCC4)CCC3)CC2)cc1 ZINC000887703620 1009476676 /nfs/dbraw/zinc/47/66/76/1009476676.db2.gz ZWJOKODGXVELAQ-UHFFFAOYSA-N 1 2 353.466 2.519 20 30 FFEDLO C=C1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)C[C@H]2C)CC1 ZINC001092940425 1009489030 /nfs/dbraw/zinc/48/90/30/1009489030.db2.gz MYXVOHWVAWIGAT-RHSMWYFYSA-N 1 2 357.502 2.613 20 30 FFEDLO C=C1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)C[C@H]2C)CC1 ZINC001092940425 1009489036 /nfs/dbraw/zinc/48/90/36/1009489036.db2.gz MYXVOHWVAWIGAT-RHSMWYFYSA-N 1 2 357.502 2.613 20 30 FFEDLO CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC001181206915 1010013362 /nfs/dbraw/zinc/01/33/62/1010013362.db2.gz FPDOAMFXIUHEIR-SFHVURJKSA-N 1 2 373.497 2.579 20 30 FFEDLO Cc1cc(NCCNC(=O)Cc2ccc(OCC#N)cc2)nc(C(C)C)[nH+]1 ZINC000862860115 1010020336 /nfs/dbraw/zinc/02/03/36/1010020336.db2.gz SAVKYGUMLUTUHW-UHFFFAOYSA-N 1 2 367.453 2.582 20 30 FFEDLO C=CCC[C@H]([NH2+]C1CC2(C[C@H]2NC(=O)OC(C)(C)C)C1)C(=O)OCC ZINC001181828016 1010272813 /nfs/dbraw/zinc/27/28/13/1010272813.db2.gz PUYMFCHLHKQAKE-UARSRXHTSA-N 1 2 352.475 2.920 20 30 FFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000512532835 1010360363 /nfs/dbraw/zinc/36/03/63/1010360363.db2.gz VUKAFLJZWHNAHZ-IBGZPJMESA-N 1 2 360.502 2.622 20 30 FFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000512532835 1010360380 /nfs/dbraw/zinc/36/03/80/1010360380.db2.gz VUKAFLJZWHNAHZ-IBGZPJMESA-N 1 2 360.502 2.622 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2CC)C[C@H]1C ZINC001206887094 1032481129 /nfs/dbraw/zinc/48/11/29/1032481129.db2.gz VTOJXMOJPAXJAU-YLJYHZDGSA-N 1 2 369.509 2.818 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2CC)C[C@H]1C ZINC001206887094 1032481133 /nfs/dbraw/zinc/48/11/33/1032481133.db2.gz VTOJXMOJPAXJAU-YLJYHZDGSA-N 1 2 369.509 2.818 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc(-c3ccco3)no2)C[C@H]1C ZINC001206912217 1032492953 /nfs/dbraw/zinc/49/29/53/1032492953.db2.gz ABHSDRRYRLNIGW-RBSFLKMASA-N 1 2 356.426 2.631 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc(-c3ccco3)no2)C[C@H]1C ZINC001206912217 1032492966 /nfs/dbraw/zinc/49/29/66/1032492966.db2.gz ABHSDRRYRLNIGW-RBSFLKMASA-N 1 2 356.426 2.631 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC001206916747 1032497605 /nfs/dbraw/zinc/49/76/05/1032497605.db2.gz BRAUTSOPSKBQAA-PJIJBLCYSA-N 1 2 365.543 2.704 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC001206916747 1032497607 /nfs/dbraw/zinc/49/76/07/1032497607.db2.gz BRAUTSOPSKBQAA-PJIJBLCYSA-N 1 2 365.543 2.704 20 30 FFEDLO FC(F)(F)c1ccc(C#CC[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)cc1 ZINC000865481602 1010795330 /nfs/dbraw/zinc/79/53/30/1010795330.db2.gz RKDJABUVMWYNBS-QGZVFWFLSA-N 1 2 364.371 2.617 20 30 FFEDLO CC(C[NH+]1CCCCCC1)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[nH]1 ZINC000777438132 1011287839 /nfs/dbraw/zinc/28/78/39/1011287839.db2.gz XZOLFAOCGXLSLH-UHFFFAOYSA-N 1 2 359.478 2.951 20 30 FFEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171582598 1011391711 /nfs/dbraw/zinc/39/17/11/1011391711.db2.gz RGUJVTZVKCHHHI-HZSPNIEDSA-N 1 2 374.547 2.862 20 30 FFEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001171792196 1011479553 /nfs/dbraw/zinc/47/95/53/1011479553.db2.gz SHQGEZKWSIHJKU-UHFFFAOYSA-N 1 2 366.502 2.910 20 30 FFEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001171792196 1011479563 /nfs/dbraw/zinc/47/95/63/1011479563.db2.gz SHQGEZKWSIHJKU-UHFFFAOYSA-N 1 2 366.502 2.910 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCC(CC#N)CC3)C2)c1 ZINC000869096648 1011608207 /nfs/dbraw/zinc/60/82/07/1011608207.db2.gz OPDHRRVSUYAASU-HXUWFJFHSA-N 1 2 370.497 2.531 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCC(CC#N)CC3)C2)c1 ZINC000869096648 1011608213 /nfs/dbraw/zinc/60/82/13/1011608213.db2.gz OPDHRRVSUYAASU-HXUWFJFHSA-N 1 2 370.497 2.531 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCC(C)(C#N)CC3)C2)cc1 ZINC000869100155 1011609580 /nfs/dbraw/zinc/60/95/80/1011609580.db2.gz DXJNQGHDFDAFNZ-IBGZPJMESA-N 1 2 370.497 2.531 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCC(C)(C#N)CC3)C2)cc1 ZINC000869100155 1011609586 /nfs/dbraw/zinc/60/95/86/1011609586.db2.gz DXJNQGHDFDAFNZ-IBGZPJMESA-N 1 2 370.497 2.531 20 30 FFEDLO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001172315058 1011743598 /nfs/dbraw/zinc/74/35/98/1011743598.db2.gz NHKGLBICJUULLJ-ATZDWAIDSA-N 1 2 371.481 2.809 20 30 FFEDLO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001172315058 1011743607 /nfs/dbraw/zinc/74/36/07/1011743607.db2.gz NHKGLBICJUULLJ-ATZDWAIDSA-N 1 2 371.481 2.809 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2sc(N)c(C#N)c2Cl)C1=O ZINC001275014249 1011813396 /nfs/dbraw/zinc/81/33/96/1011813396.db2.gz IUMSWDUEWKHMLN-MRXNPFEDSA-N 1 2 350.875 2.608 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2sc(N)c(C#N)c2Cl)C1=O ZINC001275014249 1011813409 /nfs/dbraw/zinc/81/34/09/1011813409.db2.gz IUMSWDUEWKHMLN-MRXNPFEDSA-N 1 2 350.875 2.608 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000958563619 1011878742 /nfs/dbraw/zinc/87/87/42/1011878742.db2.gz AOAFWVVELOREAG-STXHMFSFSA-N 1 2 354.454 2.513 20 30 FFEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172670025 1011947398 /nfs/dbraw/zinc/94/73/98/1011947398.db2.gz FEHYZUUXYNRPHF-MOPGFXCFSA-N 1 2 358.482 2.911 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001221973959 1032600780 /nfs/dbraw/zinc/60/07/80/1032600780.db2.gz SXAODHDMBPSQLQ-RTBURBONSA-N 1 2 363.546 2.796 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001221973959 1032600781 /nfs/dbraw/zinc/60/07/81/1032600781.db2.gz SXAODHDMBPSQLQ-RTBURBONSA-N 1 2 363.546 2.796 20 30 FFEDLO CC(C)(C)C(=O)CN1CC[C@]2(CCC[N@@H+]2Cc2cccc(C#N)c2)C1=O ZINC001275263783 1012172404 /nfs/dbraw/zinc/17/24/04/1012172404.db2.gz SSCZKPODBAQRCO-OAQYLSRUSA-N 1 2 353.466 2.740 20 30 FFEDLO CC(C)(C)C(=O)CN1CC[C@]2(CCC[N@H+]2Cc2cccc(C#N)c2)C1=O ZINC001275263783 1012172414 /nfs/dbraw/zinc/17/24/14/1012172414.db2.gz SSCZKPODBAQRCO-OAQYLSRUSA-N 1 2 353.466 2.740 20 30 FFEDLO COc1cccc([C@H]2CN(C(=O)[C@H](C)Oc3ccccc3C#N)CC[NH2+]2)c1 ZINC000870147387 1012201949 /nfs/dbraw/zinc/20/19/49/1012201949.db2.gz CIJXPNYSSFYIMO-HNAYVOBHSA-N 1 2 365.433 2.507 20 30 FFEDLO C=CCCCCC[N@H+]1C[C@]2(F)CN(COC(=O)C(C)(C)C)C(=O)[C@]2(F)C1 ZINC001275326044 1012301329 /nfs/dbraw/zinc/30/13/29/1012301329.db2.gz ULFJJERGCSDQTN-RBUKOAKNSA-N 1 2 372.456 2.854 20 30 FFEDLO C=CCCCCC[N@@H+]1C[C@]2(F)CN(COC(=O)C(C)(C)C)C(=O)[C@]2(F)C1 ZINC001275326044 1012301342 /nfs/dbraw/zinc/30/13/42/1012301342.db2.gz ULFJJERGCSDQTN-RBUKOAKNSA-N 1 2 372.456 2.854 20 30 FFEDLO C=CCCCCC[N@H+]1C[C@]2(F)CN(Cc3cc(C)nn3C)C(=O)[C@]2(F)C1 ZINC001275328779 1012307840 /nfs/dbraw/zinc/30/78/40/1012307840.db2.gz CJHJGLIJZBDOOG-RBUKOAKNSA-N 1 2 366.456 2.549 20 30 FFEDLO C=CCCCCC[N@@H+]1C[C@]2(F)CN(Cc3cc(C)nn3C)C(=O)[C@]2(F)C1 ZINC001275328779 1012307854 /nfs/dbraw/zinc/30/78/54/1012307854.db2.gz CJHJGLIJZBDOOG-RBUKOAKNSA-N 1 2 366.456 2.549 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(Cl)ccc1F)C2 ZINC001275351350 1012349405 /nfs/dbraw/zinc/34/94/05/1012349405.db2.gz QHWVOPDDYHAEKK-GOSISDBHSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(Cl)ccc1F)C2 ZINC001275351350 1012349422 /nfs/dbraw/zinc/34/94/22/1012349422.db2.gz QHWVOPDDYHAEKK-GOSISDBHSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCN1C(=O)COCC12C[NH+](Cc1cccn1-c1ccc(Cl)cc1)C2 ZINC001275373449 1012385633 /nfs/dbraw/zinc/38/56/33/1012385633.db2.gz YNTHALYMCOHYQL-UHFFFAOYSA-N 1 2 371.868 2.730 20 30 FFEDLO N#Cc1cccc(CN2C[C@@]3(CC2=O)CCCC[N@@H+]3Cc2ccon2)c1 ZINC001275382079 1012397502 /nfs/dbraw/zinc/39/75/02/1012397502.db2.gz AJLOCWZSNNZTMU-FQEVSTJZSA-N 1 2 350.422 2.703 20 30 FFEDLO N#Cc1cccc(CN2C[C@@]3(CC2=O)CCCC[N@H+]3Cc2ccon2)c1 ZINC001275382079 1012397523 /nfs/dbraw/zinc/39/75/23/1012397523.db2.gz AJLOCWZSNNZTMU-FQEVSTJZSA-N 1 2 350.422 2.703 20 30 FFEDLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccco2)C3)cc1C#N ZINC001095114195 1012459979 /nfs/dbraw/zinc/45/99/79/1012459979.db2.gz PTJJVRPBQZVBID-IKGGRYGDSA-N 1 2 351.406 2.695 20 30 FFEDLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccco2)C3)cc1C#N ZINC001095114195 1012459988 /nfs/dbraw/zinc/45/99/88/1012459988.db2.gz PTJJVRPBQZVBID-IKGGRYGDSA-N 1 2 351.406 2.695 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3[nH]nc4ccc(Cl)cc43)C2)OCC1=O ZINC001275460614 1012491349 /nfs/dbraw/zinc/49/13/49/1012491349.db2.gz NQUUOBMILXAOIX-IBGZPJMESA-N 1 2 374.872 2.596 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3[nH]nc4ccc(Cl)cc43)C2)OCC1=O ZINC001275460614 1012491354 /nfs/dbraw/zinc/49/13/54/1012491354.db2.gz NQUUOBMILXAOIX-IBGZPJMESA-N 1 2 374.872 2.596 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)c1ccon1 ZINC001095210585 1012714200 /nfs/dbraw/zinc/71/42/00/1012714200.db2.gz IXXKNNDYDKRVMR-NJAFHUGGSA-N 1 2 355.825 2.715 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)c1ccon1 ZINC001095210585 1012714206 /nfs/dbraw/zinc/71/42/06/1012714206.db2.gz IXXKNNDYDKRVMR-NJAFHUGGSA-N 1 2 355.825 2.715 20 30 FFEDLO O=C(Cc1ccon1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001095250721 1012921374 /nfs/dbraw/zinc/92/13/74/1012921374.db2.gz OINXVLCCBMLHRY-QYZOEREBSA-N 1 2 369.852 2.644 20 30 FFEDLO O=C(Cc1ccon1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001095250721 1012921382 /nfs/dbraw/zinc/92/13/82/1012921382.db2.gz OINXVLCCBMLHRY-QYZOEREBSA-N 1 2 369.852 2.644 20 30 FFEDLO Cc1ccncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001095264716 1013008083 /nfs/dbraw/zinc/00/80/83/1013008083.db2.gz YUBOAAKQOAYRHG-BVGQSLNGSA-N 1 2 352.463 2.859 20 30 FFEDLO Cc1ccncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001095264716 1013008097 /nfs/dbraw/zinc/00/80/97/1013008097.db2.gz YUBOAAKQOAYRHG-BVGQSLNGSA-N 1 2 352.463 2.859 20 30 FFEDLO CCCn1nccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001097150236 1017106537 /nfs/dbraw/zinc/10/65/37/1017106537.db2.gz VLROJWVDYZXRHS-AQNXPRMDSA-N 1 2 362.477 2.680 20 30 FFEDLO CCCn1nccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001097150236 1017106544 /nfs/dbraw/zinc/10/65/44/1017106544.db2.gz VLROJWVDYZXRHS-AQNXPRMDSA-N 1 2 362.477 2.680 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cn2c(n1)CCCC2 ZINC001097165326 1017167846 /nfs/dbraw/zinc/16/78/46/1017167846.db2.gz VMRFIXGARFANPW-SBHAEUEKSA-N 1 2 374.488 2.606 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cn2c(n1)CCCC2 ZINC001097165326 1017167851 /nfs/dbraw/zinc/16/78/51/1017167851.db2.gz VMRFIXGARFANPW-SBHAEUEKSA-N 1 2 374.488 2.606 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001051120636 1017229533 /nfs/dbraw/zinc/22/95/33/1017229533.db2.gz NNYXAVMLJBJHTL-WMEZAQDKSA-N 1 2 370.497 2.727 20 30 FFEDLO Cc1cc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncccc2C#N)c(C)[nH+]1 ZINC001055268788 1017241414 /nfs/dbraw/zinc/24/14/14/1017241414.db2.gz JYCJAHMGFFIYCE-SQNIBIBYSA-N 1 2 361.449 2.813 20 30 FFEDLO Cc1cc(N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)nc(C(C)C)[nH+]1 ZINC001052332570 1017367215 /nfs/dbraw/zinc/36/72/15/1017367215.db2.gz YPXSEXAWLDLQNQ-UTKZUKDTSA-N 1 2 352.482 2.607 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001057760356 1017406038 /nfs/dbraw/zinc/40/60/38/1017406038.db2.gz OXSAXXXUJUJMBY-SUMDDJOVSA-N 1 2 370.497 2.658 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3ccccn13)C2 ZINC001097381923 1017435608 /nfs/dbraw/zinc/43/56/08/1017435608.db2.gz DJCLVOQOHKXHGE-QRVBRYPASA-N 1 2 371.444 2.741 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3ccccn13)C2 ZINC001097381923 1017435614 /nfs/dbraw/zinc/43/56/14/1017435614.db2.gz DJCLVOQOHKXHGE-QRVBRYPASA-N 1 2 371.444 2.741 20 30 FFEDLO CC[C@@H](C)NC(=O)CO[NH+]=C(N)c1ccc(COc2ccccc2F)cc1 ZINC000748797246 1017657570 /nfs/dbraw/zinc/65/75/70/1017657570.db2.gz QBFGAOXIHSXTMQ-CQSZACIVSA-N 1 2 373.428 2.956 20 30 FFEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3cccc(S(=O)(=O)N(C)C)c3)n21 ZINC000748996884 1017930846 /nfs/dbraw/zinc/93/08/46/1017930846.db2.gz BVBYDYNTXUSKMF-ZHACJKMWSA-N 1 2 369.446 2.789 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)c1n[nH]cc1F ZINC001097797993 1017943417 /nfs/dbraw/zinc/94/34/17/1017943417.db2.gz XGBWXJQGAZZFRI-OIISXLGYSA-N 1 2 372.831 2.589 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccnc(C)n2)C1 ZINC001052741530 1018080719 /nfs/dbraw/zinc/08/07/19/1018080719.db2.gz QFORGTGKLIRVQE-HZPDHXFCSA-N 1 2 368.485 2.527 20 30 FFEDLO Cc1cc(C)c(C(=O)NC[C@@H]2CN(c3ccc(C#N)nc3)C[C@H]2C)c(C)[nH+]1 ZINC001053254114 1018225499 /nfs/dbraw/zinc/22/54/99/1018225499.db2.gz RMNFCMIAGIGWTQ-RHSMWYFYSA-N 1 2 363.465 2.776 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(C[NH+]([C@@H](C)c3cccc(C)c3)C2)C1 ZINC001053437395 1018302632 /nfs/dbraw/zinc/30/26/32/1018302632.db2.gz UFXBGSCKHKAMCB-SXLOBPIMSA-N 1 2 370.493 2.560 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC2(C[NH+](CC=C(C)C)C2)O1 ZINC001053675344 1018411010 /nfs/dbraw/zinc/41/10/10/1018411010.db2.gz MIJVYZBTHPHQNZ-QYZOEREBSA-N 1 2 362.514 2.674 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001110932869 1018704430 /nfs/dbraw/zinc/70/44/30/1018704430.db2.gz BANTYMDFIQPKPS-AFYVEPGGSA-N 1 2 369.509 2.973 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001110932869 1018704436 /nfs/dbraw/zinc/70/44/36/1018704436.db2.gz BANTYMDFIQPKPS-AFYVEPGGSA-N 1 2 369.509 2.973 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1ccco1 ZINC001110934930 1018711481 /nfs/dbraw/zinc/71/14/81/1018711481.db2.gz ROXMIWQDWNVJJA-RWQQGDIJSA-N 1 2 373.497 2.562 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1ccco1 ZINC001110934930 1018711490 /nfs/dbraw/zinc/71/14/90/1018711490.db2.gz ROXMIWQDWNVJJA-RWQQGDIJSA-N 1 2 373.497 2.562 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cnc(C)nc4)C[C@H]32)CCCC1 ZINC001222152596 1032793296 /nfs/dbraw/zinc/79/32/96/1032793296.db2.gz WUOWVYLVWVXHLB-RTBURBONSA-N 1 2 354.498 2.954 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cnc(C)nc4)C[C@H]32)CCCC1 ZINC001222152596 1032793308 /nfs/dbraw/zinc/79/33/08/1032793308.db2.gz WUOWVYLVWVXHLB-RTBURBONSA-N 1 2 354.498 2.954 20 30 FFEDLO CCn1cncc1/C=C1/CN(C(C)C)C/C(=C/c2c[nH+]cn2CC)C1=O ZINC000901415916 1019057177 /nfs/dbraw/zinc/05/71/77/1019057177.db2.gz CGCXRHPSBBOJBH-DNRQYRRUSA-N 1 2 353.470 2.880 20 30 FFEDLO CCCN1C/C(=C/c2cncn2CC)C(=O)/C(=C\c2c[nH+]cn2CC)C1 ZINC000901416879 1019059697 /nfs/dbraw/zinc/05/96/97/1019059697.db2.gz HCXFOKFTWAYHNJ-JCDHFMOQSA-N 1 2 353.470 2.881 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCC(Nc2ncccc2C#N)CC1 ZINC001067917600 1019193718 /nfs/dbraw/zinc/19/37/18/1019193718.db2.gz YDXRSMCXEARZJB-BHUNQDJPSA-N 1 2 364.453 2.662 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCC(Nc2ncccc2C#N)CC1 ZINC001067917600 1019193720 /nfs/dbraw/zinc/19/37/20/1019193720.db2.gz YDXRSMCXEARZJB-BHUNQDJPSA-N 1 2 364.453 2.662 20 30 FFEDLO Cc1cc(N[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC001043105964 1019197509 /nfs/dbraw/zinc/19/75/09/1019197509.db2.gz YJXKUCBBGLNNQZ-MLGOLLRUSA-N 1 2 352.442 2.681 20 30 FFEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001098052638 1019214154 /nfs/dbraw/zinc/21/41/54/1019214154.db2.gz KWAZRCCQTACYLV-NXHRZFHOSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001098052638 1019214166 /nfs/dbraw/zinc/21/41/66/1019214166.db2.gz KWAZRCCQTACYLV-NXHRZFHOSA-N 1 2 367.428 2.573 20 30 FFEDLO CCC(=CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21)CC ZINC001217643156 1032819246 /nfs/dbraw/zinc/81/92/46/1032819246.db2.gz HJGADSHWVCBFOQ-VQTJNVASSA-N 1 2 371.456 2.855 20 30 FFEDLO CCC(=CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21)CC ZINC001217643156 1032819264 /nfs/dbraw/zinc/81/92/64/1032819264.db2.gz HJGADSHWVCBFOQ-VQTJNVASSA-N 1 2 371.456 2.855 20 30 FFEDLO Cc1cc(C)c(C(=O)NC[C@H]2CC[C@@H](Nc3cnc(C#N)cn3)C2)c(C)[nH+]1 ZINC001047616480 1019451168 /nfs/dbraw/zinc/45/11/68/1019451168.db2.gz AHROHSDWWOWAOF-JKSUJKDBSA-N 1 2 364.453 2.679 20 30 FFEDLO C#CCCCCC(=O)NC1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001069448955 1019468036 /nfs/dbraw/zinc/46/80/36/1019468036.db2.gz MJAUYLQEQRJGPT-IAGOWNOFSA-N 1 2 370.497 2.594 20 30 FFEDLO C#CCCCCC(=O)NC1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001069448955 1019468049 /nfs/dbraw/zinc/46/80/49/1019468049.db2.gz MJAUYLQEQRJGPT-IAGOWNOFSA-N 1 2 370.497 2.594 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)c1ncccc1F ZINC001096238870 1019543777 /nfs/dbraw/zinc/54/37/77/1019543777.db2.gz PHPSBUKFJDOLNH-NEWSRXKRSA-N 1 2 367.399 2.747 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)c1ncccc1F ZINC001096238870 1019543783 /nfs/dbraw/zinc/54/37/83/1019543783.db2.gz PHPSBUKFJDOLNH-NEWSRXKRSA-N 1 2 367.399 2.747 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](Cc2cccc(OC(C)C)c2)C1 ZINC001043894995 1019597297 /nfs/dbraw/zinc/59/72/97/1019597297.db2.gz AMIAHMFGEITBIF-UXHICEINSA-N 1 2 358.482 2.708 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001069831252 1019624785 /nfs/dbraw/zinc/62/47/85/1019624785.db2.gz BWZKXBGUSZGDDC-MSOLQXFVSA-N 1 2 370.497 2.752 20 30 FFEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3c3ccsc3)c2C1 ZINC001069864877 1019641471 /nfs/dbraw/zinc/64/14/71/1019641471.db2.gz KWLMRRKLIASTKQ-DLBZAZTESA-N 1 2 356.495 2.756 20 30 FFEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3c3ccsc3)c2C1 ZINC001069864877 1019641478 /nfs/dbraw/zinc/64/14/78/1019641478.db2.gz KWLMRRKLIASTKQ-DLBZAZTESA-N 1 2 356.495 2.756 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncccc2F)C3)s1 ZINC001098100748 1019731537 /nfs/dbraw/zinc/73/15/37/1019731537.db2.gz GMHRMDYWQAIVIR-LYRGGWFBSA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncccc2F)C3)s1 ZINC001098100748 1019731551 /nfs/dbraw/zinc/73/15/51/1019731551.db2.gz GMHRMDYWQAIVIR-LYRGGWFBSA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncccc2F)C3)cc1F ZINC001098100996 1019734584 /nfs/dbraw/zinc/73/45/84/1019734584.db2.gz SJRDAWMIYFZPJK-OLMNPRSZSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncccc2F)C3)cc1F ZINC001098100996 1019734599 /nfs/dbraw/zinc/73/45/99/1019734599.db2.gz SJRDAWMIYFZPJK-OLMNPRSZSA-N 1 2 368.387 2.767 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cnn2c1CCCC2 ZINC001096290778 1019914353 /nfs/dbraw/zinc/91/43/53/1019914353.db2.gz LBZULIINEKBULX-CBQOVEMMSA-N 1 2 374.488 2.606 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cnn2c1CCCC2 ZINC001096290778 1019914363 /nfs/dbraw/zinc/91/43/63/1019914363.db2.gz LBZULIINEKBULX-CBQOVEMMSA-N 1 2 374.488 2.606 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1C#N ZINC000930475231 1020047987 /nfs/dbraw/zinc/04/79/87/1020047987.db2.gz CGKNKLFZZSDPAR-OAHLLOKOSA-N 1 2 360.458 2.530 20 30 FFEDLO Cc1ccc(NC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c(N(C)C)[nH+]1 ZINC000930506233 1020062507 /nfs/dbraw/zinc/06/25/07/1020062507.db2.gz SQBHKBACMJFBCN-GOSISDBHSA-N 1 2 365.437 2.933 20 30 FFEDLO Cc1nc(NC[C@@H]2C[C@H](C)CCN2C(=O)CCn2cc[nH+]c2)ccc1C#N ZINC001048292794 1020101364 /nfs/dbraw/zinc/10/13/64/1020101364.db2.gz NQUMLLZMCNGHDG-QAPCUYQASA-N 1 2 366.469 2.588 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]3C[C@@H](c4nc(C)no4)O[C@@H]3C2)c(C#N)c1 ZINC001137699360 1032876655 /nfs/dbraw/zinc/87/66/55/1032876655.db2.gz GDAPVYQDNHFGOF-DOPJRALCSA-N 1 2 354.410 2.610 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]3C[C@@H](c4nc(C)no4)O[C@@H]3C2)c(C#N)c1 ZINC001137699360 1032876667 /nfs/dbraw/zinc/87/66/67/1032876667.db2.gz GDAPVYQDNHFGOF-DOPJRALCSA-N 1 2 354.410 2.610 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC(=C)C)CC1 ZINC000802553983 1020221196 /nfs/dbraw/zinc/22/11/96/1020221196.db2.gz KGNLFJYNDUSFNU-UHFFFAOYSA-N 1 2 372.476 2.825 20 30 FFEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](C[C@@H](O)CCOCc2ccccc2)C1 ZINC000930923469 1020241815 /nfs/dbraw/zinc/24/18/15/1020241815.db2.gz LTTDJLFBRLEODU-UNMCSNQZSA-N 1 2 365.477 2.907 20 30 FFEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](C[C@@H](O)CCOCc2ccccc2)C1 ZINC000930923469 1020241826 /nfs/dbraw/zinc/24/18/26/1020241826.db2.gz LTTDJLFBRLEODU-UNMCSNQZSA-N 1 2 365.477 2.907 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)no1 ZINC001096379510 1020289569 /nfs/dbraw/zinc/28/95/69/1020289569.db2.gz PKXGWGCYIYGYLX-LJHODMEESA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)no1 ZINC001096379510 1020289577 /nfs/dbraw/zinc/28/95/77/1020289577.db2.gz PKXGWGCYIYGYLX-LJHODMEESA-N 1 2 368.412 2.783 20 30 FFEDLO C[C@@H]([NH2+][C@H](c1ncccn1)C1CC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000932357717 1020780373 /nfs/dbraw/zinc/78/03/73/1020780373.db2.gz GCXPIXDXSGBTQQ-BZNIZROVSA-N 1 2 367.478 2.966 20 30 FFEDLO CCn1c[nH+]c2c1CCN(CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C2 ZINC000933263618 1020986960 /nfs/dbraw/zinc/98/69/60/1020986960.db2.gz LSIFJRSQTVTGFY-UHFFFAOYSA-N 1 2 365.481 2.825 20 30 FFEDLO Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933625736 1021051828 /nfs/dbraw/zinc/05/18/28/1021051828.db2.gz RTQQYDGPDMHIGR-CTNGQTDRSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933625736 1021051833 /nfs/dbraw/zinc/05/18/33/1021051833.db2.gz RTQQYDGPDMHIGR-CTNGQTDRSA-N 1 2 352.434 2.680 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3cc(C)ccc3o1)C2 ZINC001111458543 1021072315 /nfs/dbraw/zinc/07/23/15/1021072315.db2.gz DUHDOVSCDMZJCO-KURKYZTESA-N 1 2 352.434 2.726 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3cc(C)ccc3o1)C2 ZINC001111458543 1021072318 /nfs/dbraw/zinc/07/23/18/1021072318.db2.gz DUHDOVSCDMZJCO-KURKYZTESA-N 1 2 352.434 2.726 20 30 FFEDLO C[N@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)Cc1cc(C#N)cs1 ZINC000933778727 1021088957 /nfs/dbraw/zinc/08/89/57/1021088957.db2.gz RQCGSYAPVSGYDW-SFHVURJKSA-N 1 2 373.453 2.791 20 30 FFEDLO C[N@@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)Cc1cc(C#N)cs1 ZINC000933778727 1021088964 /nfs/dbraw/zinc/08/89/64/1021088964.db2.gz RQCGSYAPVSGYDW-SFHVURJKSA-N 1 2 373.453 2.791 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccn2C)C1 ZINC001098732656 1021089789 /nfs/dbraw/zinc/08/97/89/1021089789.db2.gz KOJPNQSAVOZZBM-BBRMVZONSA-N 1 2 352.276 2.518 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccn2C)C1 ZINC001098732656 1021089793 /nfs/dbraw/zinc/08/97/93/1021089793.db2.gz KOJPNQSAVOZZBM-BBRMVZONSA-N 1 2 352.276 2.518 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc[nH]c2)C1 ZINC001098850759 1021239345 /nfs/dbraw/zinc/23/93/45/1021239345.db2.gz LRSHKHZQJFWNKO-PXNSSMCTSA-N 1 2 352.413 2.810 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc[nH]c2)C1 ZINC001098850759 1021239357 /nfs/dbraw/zinc/23/93/57/1021239357.db2.gz LRSHKHZQJFWNKO-PXNSSMCTSA-N 1 2 352.413 2.810 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)nn1 ZINC000934661583 1021330641 /nfs/dbraw/zinc/33/06/41/1021330641.db2.gz ROWNELSCEKRLEU-KXBFYZLASA-N 1 2 361.490 2.733 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)nn1 ZINC000934661583 1021330656 /nfs/dbraw/zinc/33/06/56/1021330656.db2.gz ROWNELSCEKRLEU-KXBFYZLASA-N 1 2 361.490 2.733 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C3)cn1 ZINC001099126269 1021874315 /nfs/dbraw/zinc/87/43/15/1021874315.db2.gz LLERNODFQMPJPO-USTCVSNLSA-N 1 2 364.276 2.966 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](C/C(Cl)=C/Cl)C3)cn1 ZINC001099126269 1021874332 /nfs/dbraw/zinc/87/43/32/1021874332.db2.gz LLERNODFQMPJPO-USTCVSNLSA-N 1 2 364.276 2.966 20 30 FFEDLO CC(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001014502606 1021878920 /nfs/dbraw/zinc/87/89/20/1021878920.db2.gz NZYGZWRHXQFVCL-UFYCRDLUSA-N 1 2 355.482 2.700 20 30 FFEDLO CC(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001014502606 1021878935 /nfs/dbraw/zinc/87/89/35/1021878935.db2.gz NZYGZWRHXQFVCL-UFYCRDLUSA-N 1 2 355.482 2.700 20 30 FFEDLO COc1cccc(C[NH+]2CCN(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC001202784051 1021902754 /nfs/dbraw/zinc/90/27/54/1021902754.db2.gz DUMIBTAGXINMAG-UHFFFAOYSA-N 1 2 350.422 2.917 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccco3)C2)c(F)c1 ZINC001015736264 1021954205 /nfs/dbraw/zinc/95/42/05/1021954205.db2.gz CAFWDXUWKRUNRA-BRWVUGGUSA-N 1 2 353.397 2.785 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccco3)C2)c(F)c1 ZINC001015736264 1021954210 /nfs/dbraw/zinc/95/42/10/1021954210.db2.gz CAFWDXUWKRUNRA-BRWVUGGUSA-N 1 2 353.397 2.785 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038794324 1022702784 /nfs/dbraw/zinc/70/27/84/1022702784.db2.gz CMQOGGFCECVQII-ACRUOGEOSA-N 1 2 352.478 2.600 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038794324 1022702802 /nfs/dbraw/zinc/70/28/02/1022702802.db2.gz CMQOGGFCECVQII-ACRUOGEOSA-N 1 2 352.478 2.600 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038794326 1022704281 /nfs/dbraw/zinc/70/42/81/1022704281.db2.gz CMQOGGFCECVQII-HKBOAZHASA-N 1 2 352.478 2.600 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038794326 1022704294 /nfs/dbraw/zinc/70/42/94/1022704294.db2.gz CMQOGGFCECVQII-HKBOAZHASA-N 1 2 352.478 2.600 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001490843755 1022708008 /nfs/dbraw/zinc/70/80/08/1022708008.db2.gz BSAIJGOAYOHPOD-VQHPVUNQSA-N 1 2 358.486 2.685 20 30 FFEDLO Cc1nc(NC2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)ccc1C#N ZINC001067303864 1022782080 /nfs/dbraw/zinc/78/20/80/1022782080.db2.gz WBZCBRVSWLCLDO-HZPDHXFCSA-N 1 2 364.453 2.582 20 30 FFEDLO Cc1nc(NC2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)ccc1C#N ZINC001067303864 1022782088 /nfs/dbraw/zinc/78/20/88/1022782088.db2.gz WBZCBRVSWLCLDO-HZPDHXFCSA-N 1 2 364.453 2.582 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc(C#N)cc2)O1 ZINC001039925465 1022789407 /nfs/dbraw/zinc/78/94/07/1022789407.db2.gz CQLVJHRQWASLGQ-GEALJGNFSA-N 1 2 353.466 2.691 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)cc2)O1 ZINC001039925465 1022789411 /nfs/dbraw/zinc/78/94/11/1022789411.db2.gz CQLVJHRQWASLGQ-GEALJGNFSA-N 1 2 353.466 2.691 20 30 FFEDLO CC(C)c1nnc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C#CC(C)(C)C)C[C@@H]32)o1 ZINC001222656666 1033094084 /nfs/dbraw/zinc/09/40/84/1033094084.db2.gz PHYXUQSXYYKHAS-CVEARBPZSA-N 1 2 358.486 2.665 20 30 FFEDLO CC(C)c1nnc(C[N@H+]2CC[C@@H]3CCN(C(=O)C#CC(C)(C)C)C[C@@H]32)o1 ZINC001222656666 1033094094 /nfs/dbraw/zinc/09/40/94/1033094094.db2.gz PHYXUQSXYYKHAS-CVEARBPZSA-N 1 2 358.486 2.665 20 30 FFEDLO COc1nscc1C[N@@H+]1CC[C@@H]2CCN(C(=O)C#CC(C)(C)C)C[C@@H]21 ZINC001222661220 1033097421 /nfs/dbraw/zinc/09/74/21/1033097421.db2.gz AJONWXGDVBOFDY-ZBFHGGJFSA-N 1 2 361.511 2.624 20 30 FFEDLO COc1nscc1C[N@H+]1CC[C@@H]2CCN(C(=O)C#CC(C)(C)C)C[C@@H]21 ZINC001222661220 1033097429 /nfs/dbraw/zinc/09/74/29/1033097429.db2.gz AJONWXGDVBOFDY-ZBFHGGJFSA-N 1 2 361.511 2.624 20 30 FFEDLO COCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC(C)(C)C[C@@H]1C ZINC001122433641 1023264149 /nfs/dbraw/zinc/26/41/49/1023264149.db2.gz SPCZYAJKDFFIJP-INIZCTEOSA-N 1 2 374.533 2.642 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC001122537586 1023326021 /nfs/dbraw/zinc/32/60/21/1023326021.db2.gz XPFKAPMCKCLVMO-MLHJIOFPSA-N 1 2 373.545 2.997 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC001122537586 1023326026 /nfs/dbraw/zinc/32/60/26/1023326026.db2.gz XPFKAPMCKCLVMO-MLHJIOFPSA-N 1 2 373.545 2.997 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001122609142 1023367288 /nfs/dbraw/zinc/36/72/88/1023367288.db2.gz HOCTWZSBGITLDH-HZPDHXFCSA-N 1 2 363.469 2.505 20 30 FFEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3[C@@H](c4ccccc4)C3(C)C)CC2)C1 ZINC000949366173 1023517580 /nfs/dbraw/zinc/51/75/80/1023517580.db2.gz XCAGRYRWRNBFKS-UXHICEINSA-N 1 2 366.505 2.753 20 30 FFEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3[C@@H](c4ccccc4)C3(C)C)CC2)C1 ZINC000949366173 1023517586 /nfs/dbraw/zinc/51/75/86/1023517586.db2.gz XCAGRYRWRNBFKS-UXHICEINSA-N 1 2 366.505 2.753 20 30 FFEDLO C[C@@H](CC#N)N(C)c1nnc(C[NH+]2CCCCC2)n1C[C@@H]1CCCCO1 ZINC001123203188 1023684408 /nfs/dbraw/zinc/68/44/08/1023684408.db2.gz NKYZPGWSHSONFU-IRXDYDNUSA-N 1 2 360.506 2.571 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001121324228 1023708376 /nfs/dbraw/zinc/70/83/76/1023708376.db2.gz LXLCKWYFBJFOQL-CQSZACIVSA-N 1 2 370.423 2.687 20 30 FFEDLO C=C(C)CN(CC)c1nnc(Cc2[nH+]ccn2C)n1C[C@H]1CCCCO1 ZINC001123265959 1023714599 /nfs/dbraw/zinc/71/45/99/1023714599.db2.gz SBKSXYOJPCGJKT-MRXNPFEDSA-N 1 2 358.490 2.574 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(CC4CC4)no3)[C@H]2C1 ZINC001222790187 1033161146 /nfs/dbraw/zinc/16/11/46/1033161146.db2.gz VNOZSFTVNVPSTR-SJORKVTESA-N 1 2 358.486 2.801 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(CC4CC4)no3)[C@H]2C1 ZINC001222790187 1033161158 /nfs/dbraw/zinc/16/11/58/1033161158.db2.gz VNOZSFTVNVPSTR-SJORKVTESA-N 1 2 358.486 2.801 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@@H](C(C)(C)C)CC1 ZINC001121510191 1023818102 /nfs/dbraw/zinc/81/81/02/1023818102.db2.gz MQYQTJXBXPPDLG-IKGGRYGDSA-N 1 2 361.534 2.854 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H](C(C)(C)C)CC1 ZINC001121510191 1023818107 /nfs/dbraw/zinc/81/81/07/1023818107.db2.gz MQYQTJXBXPPDLG-IKGGRYGDSA-N 1 2 361.534 2.854 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCc2cc(O)ccc2C1 ZINC001121510463 1023818425 /nfs/dbraw/zinc/81/84/25/1023818425.db2.gz WWMLVNHLZKKOSP-SFHVURJKSA-N 1 2 353.470 2.889 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCc2cc(O)ccc2C1 ZINC001121510463 1023818431 /nfs/dbraw/zinc/81/84/31/1023818431.db2.gz WWMLVNHLZKKOSP-SFHVURJKSA-N 1 2 353.470 2.889 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCCC(C)(C)CC1 ZINC001121532791 1023832259 /nfs/dbraw/zinc/83/22/59/1023832259.db2.gz KBUFHRZOHPHLQM-UHFFFAOYSA-N 1 2 361.534 2.685 20 30 FFEDLO CCCCCCCOc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000779433072 1023840631 /nfs/dbraw/zinc/84/06/31/1023840631.db2.gz PEEASJITFHZJRT-GOSISDBHSA-N 1 2 359.470 2.772 20 30 FFEDLO CCCCCCCOc1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000779433072 1023840637 /nfs/dbraw/zinc/84/06/37/1023840637.db2.gz PEEASJITFHZJRT-GOSISDBHSA-N 1 2 359.470 2.772 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@H](C2CCCC2)C1 ZINC001121610168 1023879811 /nfs/dbraw/zinc/87/98/11/1023879811.db2.gz QXDPXQXZDUKGBP-KSZLIROESA-N 1 2 359.518 2.608 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@H](C2CCCC2)C1 ZINC001121610168 1023879818 /nfs/dbraw/zinc/87/98/18/1023879818.db2.gz QXDPXQXZDUKGBP-KSZLIROESA-N 1 2 359.518 2.608 20 30 FFEDLO CC#CCCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@H]21 ZINC001218486343 1033176878 /nfs/dbraw/zinc/17/68/78/1033176878.db2.gz CFTLWMXNEWRODG-RBUKOAKNSA-N 1 2 360.885 2.945 20 30 FFEDLO CC#CCCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]21 ZINC001218486343 1033176889 /nfs/dbraw/zinc/17/68/89/1033176889.db2.gz CFTLWMXNEWRODG-RBUKOAKNSA-N 1 2 360.885 2.945 20 30 FFEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nc(C5CC5)no4)[C@H]3C2)CCC1 ZINC001222876231 1033185590 /nfs/dbraw/zinc/18/55/90/1033185590.db2.gz ABHLKXURDHXINF-WBVHZDCISA-N 1 2 368.481 2.563 20 30 FFEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nc(C5CC5)no4)[C@H]3C2)CCC1 ZINC001222876231 1033185598 /nfs/dbraw/zinc/18/55/98/1033185598.db2.gz ABHLKXURDHXINF-WBVHZDCISA-N 1 2 368.481 2.563 20 30 FFEDLO CCn1c(-c2cncc(C#N)c2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001121863801 1024115701 /nfs/dbraw/zinc/11/57/01/1024115701.db2.gz YWQJXFUOQCEIQC-UHFFFAOYSA-N 1 2 374.452 2.708 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)c3nc(C(C)C)no3)C[C@@]2(C)C1 ZINC001101230809 1024141055 /nfs/dbraw/zinc/14/10/55/1024141055.db2.gz KFSJDXMPGICLRW-YRNRMSPPSA-N 1 2 358.486 2.694 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@H]2C[N@H+]([C@@H](C)c3nc(C(C)C)no3)C[C@@]2(C)C1 ZINC001101230809 1024141065 /nfs/dbraw/zinc/14/10/65/1024141065.db2.gz KFSJDXMPGICLRW-YRNRMSPPSA-N 1 2 358.486 2.694 20 30 FFEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1scc(C(C)(C)C)c1C#N ZINC001218507755 1033190679 /nfs/dbraw/zinc/19/06/79/1033190679.db2.gz LSLRXIPRTUHODW-GFCCVEGCSA-N 1 2 350.488 2.759 20 30 FFEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1scc(C(C)(C)C)c1C#N ZINC001218507755 1033190687 /nfs/dbraw/zinc/19/06/87/1033190687.db2.gz LSLRXIPRTUHODW-GFCCVEGCSA-N 1 2 350.488 2.759 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccc(C)cc1OC)C2 ZINC001111366422 1024438569 /nfs/dbraw/zinc/43/85/69/1024438569.db2.gz JYJGZXHWKYWWOE-OAGGEKHMSA-N 1 2 364.873 2.856 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccc(C)cc1OC)C2 ZINC001111366422 1024438578 /nfs/dbraw/zinc/43/85/78/1024438578.db2.gz JYJGZXHWKYWWOE-OAGGEKHMSA-N 1 2 364.873 2.856 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3CCC)C[C@@]2(C)C1 ZINC001101325557 1024454662 /nfs/dbraw/zinc/45/46/62/1024454662.db2.gz XZMXYQLUSLTPES-NQIIRXRSSA-N 1 2 371.529 2.552 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@H+](Cc3ncnn3CCC)C[C@@]2(C)C1 ZINC001101325557 1024454670 /nfs/dbraw/zinc/45/46/70/1024454670.db2.gz XZMXYQLUSLTPES-NQIIRXRSSA-N 1 2 371.529 2.552 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001101336615 1024484038 /nfs/dbraw/zinc/48/40/38/1024484038.db2.gz KIJRYFOCGBSZNB-BEFAXECRSA-N 1 2 362.905 2.547 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001101336615 1024484041 /nfs/dbraw/zinc/48/40/41/1024484041.db2.gz KIJRYFOCGBSZNB-BEFAXECRSA-N 1 2 362.905 2.547 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)n3C)C[C@@]2(C)C1 ZINC001101337826 1024488662 /nfs/dbraw/zinc/48/86/62/1024488662.db2.gz NBYNHKLNNUQION-CEQIKUNHSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)n3C)C[C@@]2(C)C1 ZINC001101337826 1024488674 /nfs/dbraw/zinc/48/86/74/1024488674.db2.gz NBYNHKLNNUQION-CEQIKUNHSA-N 1 2 371.529 2.575 20 30 FFEDLO C=CC1(CC(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C)[nH]4)C[C@@]3(C)C2)CCCCC1 ZINC001101390879 1024612875 /nfs/dbraw/zinc/61/28/75/1024612875.db2.gz UAROLPSNQXIKFT-XLIONFOSSA-N 1 2 371.529 2.920 20 30 FFEDLO C=CC1(CC(=O)N2C[C@H]3C[N@H+](Cc4nnc(C)[nH]4)C[C@@]3(C)C2)CCCCC1 ZINC001101390879 1024612880 /nfs/dbraw/zinc/61/28/80/1024612880.db2.gz UAROLPSNQXIKFT-XLIONFOSSA-N 1 2 371.529 2.920 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001101992845 1025258739 /nfs/dbraw/zinc/25/87/39/1025258739.db2.gz JGELHKSVMFLKSB-WMZOPIPTSA-N 1 2 358.486 2.515 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000953188035 1025268029 /nfs/dbraw/zinc/26/80/29/1025268029.db2.gz JRMMKYDGHNTVEQ-WHSLLNHNSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000953188035 1025268041 /nfs/dbraw/zinc/26/80/41/1025268041.db2.gz JRMMKYDGHNTVEQ-WHSLLNHNSA-N 1 2 370.497 2.567 20 30 FFEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000245966990 1025661509 /nfs/dbraw/zinc/66/15/09/1025661509.db2.gz DWAJBUQJSJJXEL-WOJBJXKFSA-N 1 2 350.418 2.799 20 30 FFEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000245966990 1025661519 /nfs/dbraw/zinc/66/15/19/1025661519.db2.gz DWAJBUQJSJJXEL-WOJBJXKFSA-N 1 2 350.418 2.799 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)C[C@H]2C)CCC1 ZINC001102331556 1025760225 /nfs/dbraw/zinc/76/02/25/1025760225.db2.gz HNKXDXKXVXPRAV-HZPDHXFCSA-N 1 2 359.518 2.859 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)C[C@H]2C)CCC1 ZINC001102331556 1025760234 /nfs/dbraw/zinc/76/02/34/1025760234.db2.gz HNKXDXKXVXPRAV-HZPDHXFCSA-N 1 2 359.518 2.859 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@@H+](Cc3noc(-c4ccoc4)n3)C[C@H]2C)C1 ZINC001102349534 1025783367 /nfs/dbraw/zinc/78/33/67/1025783367.db2.gz JCKCKKZESNVLBR-GDBMZVCRSA-N 1 2 370.453 2.870 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@H+](Cc3noc(-c4ccoc4)n3)C[C@H]2C)C1 ZINC001102349534 1025783378 /nfs/dbraw/zinc/78/33/78/1025783378.db2.gz JCKCKKZESNVLBR-GDBMZVCRSA-N 1 2 370.453 2.870 20 30 FFEDLO C#Cc1ccccc1CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2csnn2)C[C@H]1C ZINC001102532529 1026247574 /nfs/dbraw/zinc/24/75/74/1026247574.db2.gz QVFKGVHYPFIQGT-RVKKMQEKSA-N 1 2 368.506 2.507 20 30 FFEDLO C#Cc1ccccc1CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2csnn2)C[C@H]1C ZINC001102532529 1026247588 /nfs/dbraw/zinc/24/75/88/1026247588.db2.gz QVFKGVHYPFIQGT-RVKKMQEKSA-N 1 2 368.506 2.507 20 30 FFEDLO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C#N)ccc1Br ZINC001141658340 1026762485 /nfs/dbraw/zinc/76/24/85/1026762485.db2.gz ZKUZCEBYVTYSEL-KRWDZBQOSA-N 1 2 362.271 2.908 20 30 FFEDLO CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(C#N)ccc1Br ZINC001141658340 1026762491 /nfs/dbraw/zinc/76/24/91/1026762491.db2.gz ZKUZCEBYVTYSEL-KRWDZBQOSA-N 1 2 362.271 2.908 20 30 FFEDLO C=CCN1CCN(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)C1=O ZINC000839990384 1026901583 /nfs/dbraw/zinc/90/15/83/1026901583.db2.gz FOHKYQYQXFJRGO-UHFFFAOYSA-N 1 2 367.453 2.797 20 30 FFEDLO Cc1cnc(N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c(C#N)n1 ZINC001158591805 1027070220 /nfs/dbraw/zinc/07/02/20/1027070220.db2.gz UOHBFGKKUJQJEH-FUHWJXTLSA-N 1 2 365.437 2.528 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nn1 ZINC000641102229 1027103993 /nfs/dbraw/zinc/10/39/93/1027103993.db2.gz CVTIUPACDKLVLG-HNNXBMFYSA-N 1 2 350.426 2.667 20 30 FFEDLO CSc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)ccc1C#N ZINC001141937312 1027187626 /nfs/dbraw/zinc/18/76/26/1027187626.db2.gz VSCGSOAAPLKRNX-GOEBONIOSA-N 1 2 368.462 2.615 20 30 FFEDLO CSc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)ccc1C#N ZINC001141937312 1027187640 /nfs/dbraw/zinc/18/76/40/1027187640.db2.gz VSCGSOAAPLKRNX-GOEBONIOSA-N 1 2 368.462 2.615 20 30 FFEDLO N#Cc1ccc(CNc2cc(-c3cc4c([nH]3)CCNC4=O)cc[nH+]2)cc1F ZINC001159083969 1027261565 /nfs/dbraw/zinc/26/15/65/1027261565.db2.gz ADPGBGMQRJDXLL-UHFFFAOYSA-N 1 2 361.380 2.985 20 30 FFEDLO N#CCc1cc2ccccc2nc1NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC001161745921 1028301284 /nfs/dbraw/zinc/30/12/84/1028301284.db2.gz SRNWUVTUPOSFGI-UHFFFAOYSA-N 1 2 352.419 2.560 20 30 FFEDLO C=CCN1C(=O)CC[C@@]12CCCN(C(=O)c1cccc3[nH+]ccn31)CC2 ZINC001154522146 1028335157 /nfs/dbraw/zinc/33/51/57/1028335157.db2.gz OVGGAOKTPHOHDQ-HXUWFJFHSA-N 1 2 352.438 2.508 20 30 FFEDLO C[N@@H+]1CCO[C@H](CNc2cnc(Cl)nc2Oc2ccc(C#N)cc2)C1 ZINC001155201912 1028624803 /nfs/dbraw/zinc/62/48/03/1028624803.db2.gz WHVAYEVXTWLXTC-CQSZACIVSA-N 1 2 359.817 2.536 20 30 FFEDLO C[N@H+]1CCO[C@H](CNc2cnc(Cl)nc2Oc2ccc(C#N)cc2)C1 ZINC001155201912 1028624807 /nfs/dbraw/zinc/62/48/07/1028624807.db2.gz WHVAYEVXTWLXTC-CQSZACIVSA-N 1 2 359.817 2.536 20 30 FFEDLO C[N@@H+]1CCO[C@H](CNc2cnc(Cl)nc2Oc2ccccc2C#N)C1 ZINC001155201978 1028624898 /nfs/dbraw/zinc/62/48/98/1028624898.db2.gz ZEPBOZKKIFYRQG-CYBMUJFWSA-N 1 2 359.817 2.536 20 30 FFEDLO C[N@H+]1CCO[C@H](CNc2cnc(Cl)nc2Oc2ccccc2C#N)C1 ZINC001155201978 1028624903 /nfs/dbraw/zinc/62/49/03/1028624903.db2.gz ZEPBOZKKIFYRQG-CYBMUJFWSA-N 1 2 359.817 2.536 20 30 FFEDLO CNc1cnc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)cc1C(=O)OC ZINC001163678228 1029021095 /nfs/dbraw/zinc/02/10/95/1029021095.db2.gz DFYJZNUOVGDNKF-UHFFFAOYSA-N 1 2 352.316 2.966 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](Nc2c(C#N)c(Cl)nc3ccc(F)c(C)c32)C[NH2+]1 ZINC001156250781 1029111159 /nfs/dbraw/zinc/11/11/59/1029111159.db2.gz JRUKWILUHDRBFN-ZANVPECISA-N 1 2 362.792 2.523 20 30 FFEDLO N#Cc1cccc(-c2cc(C(F)(F)N3CC[NH2+]C[C@@H]3C#N)c(Cl)nn2)c1 ZINC001156333183 1029150601 /nfs/dbraw/zinc/15/06/01/1029150601.db2.gz VYNUOLKZVAZODK-ZDUSSCGKSA-N 1 2 374.782 2.515 20 30 FFEDLO CC(C)(C)c1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)no1 ZINC001111740496 1029302318 /nfs/dbraw/zinc/30/23/18/1029302318.db2.gz ABOGVDDPODAXIV-KKSFZXQISA-N 1 2 355.482 2.856 20 30 FFEDLO CC(C)(C)c1cc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)no1 ZINC001111740496 1029302337 /nfs/dbraw/zinc/30/23/37/1029302337.db2.gz ABOGVDDPODAXIV-KKSFZXQISA-N 1 2 355.482 2.856 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164651904 1029348978 /nfs/dbraw/zinc/34/89/78/1029348978.db2.gz MSAGAURXFORVRE-VIFPVBQESA-N 1 2 358.179 2.783 20 30 FFEDLO CC(C)=CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001112104334 1030014517 /nfs/dbraw/zinc/01/45/17/1030014517.db2.gz BXAAXSXVBRXKNS-OPRDCNLKSA-N 1 2 350.278 2.832 20 30 FFEDLO CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001112104334 1030014531 /nfs/dbraw/zinc/01/45/31/1030014531.db2.gz BXAAXSXVBRXKNS-OPRDCNLKSA-N 1 2 350.278 2.832 20 30 FFEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCC4(CC3)CN(c3ccccn3)CCO4)c12 ZINC001165986483 1030189797 /nfs/dbraw/zinc/18/97/97/1030189797.db2.gz BFHRNSNPCCQDLB-UHFFFAOYSA-N 1 2 374.448 2.705 20 30 FFEDLO N#Cc1sccc1N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001166617262 1030457501 /nfs/dbraw/zinc/45/75/01/1030457501.db2.gz MKBYUNLBAOIUIV-UHFFFAOYSA-N 1 2 363.446 2.768 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cn(Cc3cccnc3)nn2)c1 ZINC000784546467 1030677721 /nfs/dbraw/zinc/67/77/21/1030677721.db2.gz WIOWONRZRPSATQ-LJQANCHMSA-N 1 2 362.437 2.692 20 30 FFEDLO N#Cc1ccccc1CN1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001204367343 1031255123 /nfs/dbraw/zinc/25/51/23/1031255123.db2.gz HXIGNANNQMXAAT-QGZVFWFLSA-N 1 2 359.433 2.861 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001205386345 1031701620 /nfs/dbraw/zinc/70/16/20/1031701620.db2.gz LBQKWKPEIXFCMF-DLBZAZTESA-N 1 2 358.417 2.568 20 30 FFEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000799324140 1031738645 /nfs/dbraw/zinc/73/86/45/1031738645.db2.gz KWYFXLRDNWPFBX-RTBURBONSA-N 1 2 374.847 2.790 20 30 FFEDLO Cc1ccn(C[N@@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c(=O)c1C#N ZINC000799582422 1031822947 /nfs/dbraw/zinc/82/29/47/1031822947.db2.gz MYDGKUPFMWPORG-INIZCTEOSA-N 1 2 374.485 2.613 20 30 FFEDLO Cc1ccn(C[N@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c(=O)c1C#N ZINC000799582422 1031822959 /nfs/dbraw/zinc/82/29/59/1031822959.db2.gz MYDGKUPFMWPORG-INIZCTEOSA-N 1 2 374.485 2.613 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001115581368 1031881886 /nfs/dbraw/zinc/88/18/86/1031881886.db2.gz KVSNXZITVGQDEW-SQNIBIBYSA-N 1 2 370.497 2.902 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H](CNc1cccc(F)c1C#N)C1CC1 ZINC001115588404 1031904462 /nfs/dbraw/zinc/90/44/62/1031904462.db2.gz QICQMNCDEUHTBU-PJIJBLCYSA-N 1 2 367.428 2.873 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H](CNc1cccc(F)c1C#N)C1CC1 ZINC001115588404 1031904478 /nfs/dbraw/zinc/90/44/78/1031904478.db2.gz QICQMNCDEUHTBU-PJIJBLCYSA-N 1 2 367.428 2.873 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)c3cc(C#N)ccc3C)C2)cc1 ZINC001535360134 1069776067 /nfs/dbraw/zinc/77/60/67/1069776067.db2.gz VVURXAQWWQGLID-HXUWFJFHSA-N 1 2 363.461 2.806 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)c3cc(C#N)ccc3C)C2)cc1 ZINC001535360134 1069776071 /nfs/dbraw/zinc/77/60/71/1069776071.db2.gz VVURXAQWWQGLID-HXUWFJFHSA-N 1 2 363.461 2.806 20 30 FFEDLO CC(C)[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001219330092 1033601862 /nfs/dbraw/zinc/60/18/62/1033601862.db2.gz DHTUWBSSYKVUAZ-IPELMVKDSA-N 1 2 362.901 2.535 20 30 FFEDLO CC(C)[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001219330092 1033601869 /nfs/dbraw/zinc/60/18/69/1033601869.db2.gz DHTUWBSSYKVUAZ-IPELMVKDSA-N 1 2 362.901 2.535 20 30 FFEDLO CC[C@@H](c1ccc(F)cc1F)[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 ZINC001219598268 1033709961 /nfs/dbraw/zinc/70/99/61/1033709961.db2.gz QGLZMQWIBAIFIS-SQNIBIBYSA-N 1 2 364.436 2.627 20 30 FFEDLO CC[C@@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 ZINC001219598268 1033709978 /nfs/dbraw/zinc/70/99/78/1033709978.db2.gz QGLZMQWIBAIFIS-SQNIBIBYSA-N 1 2 364.436 2.627 20 30 FFEDLO CC[C@H](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001219694622 1033758419 /nfs/dbraw/zinc/75/84/19/1033758419.db2.gz GBUBBLSBTPNKHZ-DBVUQKKJSA-N 1 2 357.498 2.826 20 30 FFEDLO CC[C@H](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001219694622 1033758433 /nfs/dbraw/zinc/75/84/33/1033758433.db2.gz GBUBBLSBTPNKHZ-DBVUQKKJSA-N 1 2 357.498 2.826 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@@H]1O ZINC001219708902 1033779308 /nfs/dbraw/zinc/77/93/08/1033779308.db2.gz GXFGDMSDKRUBBZ-SJORKVTESA-N 1 2 368.880 2.785 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)C[C@@H]1O ZINC001219708902 1033779312 /nfs/dbraw/zinc/77/93/12/1033779312.db2.gz GXFGDMSDKRUBBZ-SJORKVTESA-N 1 2 368.880 2.785 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cnc(Cl)s3)[C@H]2C1 ZINC001224271539 1033817518 /nfs/dbraw/zinc/81/75/18/1033817518.db2.gz OQZUYZXDYMAQRA-HIFRSBDPSA-N 1 2 369.918 2.812 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2CC[N@H+](Cc3cnc(Cl)s3)[C@H]2C1 ZINC001224271539 1033817539 /nfs/dbraw/zinc/81/75/39/1033817539.db2.gz OQZUYZXDYMAQRA-HIFRSBDPSA-N 1 2 369.918 2.812 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001224281302 1033826811 /nfs/dbraw/zinc/82/68/11/1033826811.db2.gz XLDWOJKAXKKZJR-YRNRMSPPSA-N 1 2 371.456 2.711 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001224281302 1033826821 /nfs/dbraw/zinc/82/68/21/1033826821.db2.gz XLDWOJKAXKKZJR-YRNRMSPPSA-N 1 2 371.456 2.711 20 30 FFEDLO C#CCN1CCC2(CC[NH+](Cc3cnc(C(F)(F)F)s3)CC2)C1=O ZINC001276967669 1033865431 /nfs/dbraw/zinc/86/54/31/1033865431.db2.gz RYOOHXRJSRJWLC-UHFFFAOYSA-N 1 2 357.401 2.610 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3n[nH]c4cc(F)ccc34)CC2)C1=O ZINC001276973070 1033892733 /nfs/dbraw/zinc/89/27/33/1033892733.db2.gz PWUBSXOWPIWIGW-FQEVSTJZSA-N 1 2 354.429 2.540 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+](Cc3n[nH]c4cc(F)ccc34)CC2)C1=O ZINC001276973070 1033892743 /nfs/dbraw/zinc/89/27/43/1033892743.db2.gz PWUBSXOWPIWIGW-FQEVSTJZSA-N 1 2 354.429 2.540 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCc2cc(Cl)ccc2Cl)C[C@@H]1O ZINC001220141587 1034003170 /nfs/dbraw/zinc/00/31/70/1034003170.db2.gz ZKCJEGANOIPEBF-CVEARBPZSA-N 1 2 371.308 2.909 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCc2cc(Cl)ccc2Cl)C[C@@H]1O ZINC001220141587 1034003185 /nfs/dbraw/zinc/00/31/85/1034003185.db2.gz ZKCJEGANOIPEBF-CVEARBPZSA-N 1 2 371.308 2.909 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cc(F)ccc2F)C[C@@H]1O ZINC001220149676 1034006984 /nfs/dbraw/zinc/00/69/84/1034006984.db2.gz XKQQJPMMWTVUAH-ZMYBRWDISA-N 1 2 364.436 2.771 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cc(F)ccc2F)C[C@@H]1O ZINC001220149676 1034006995 /nfs/dbraw/zinc/00/69/95/1034006995.db2.gz XKQQJPMMWTVUAH-ZMYBRWDISA-N 1 2 364.436 2.771 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@@H]1O ZINC001220198448 1034038760 /nfs/dbraw/zinc/03/87/60/1034038760.db2.gz QWQMRLGZSONDSX-VHSSKADRSA-N 1 2 368.880 2.785 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)C[C@@H]1O ZINC001220198448 1034038775 /nfs/dbraw/zinc/03/87/75/1034038775.db2.gz QWQMRLGZSONDSX-VHSSKADRSA-N 1 2 368.880 2.785 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccc2Cl)C[C@@H]1O ZINC001220293887 1034104424 /nfs/dbraw/zinc/10/44/24/1034104424.db2.gz YBEYKHNOUCWXAZ-AOIWGVFYSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccc2Cl)C[C@@H]1O ZINC001220293887 1034104430 /nfs/dbraw/zinc/10/44/30/1034104430.db2.gz YBEYKHNOUCWXAZ-AOIWGVFYSA-N 1 2 366.889 2.612 20 30 FFEDLO CCC[C@H](CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220631390 1034305087 /nfs/dbraw/zinc/30/50/87/1034305087.db2.gz KWOSFKIJFGELLG-UHOSZYNNSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC[C@H](CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220631390 1034305092 /nfs/dbraw/zinc/30/50/92/1034305092.db2.gz KWOSFKIJFGELLG-UHOSZYNNSA-N 1 2 362.901 2.679 20 30 FFEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC001138555511 1034406217 /nfs/dbraw/zinc/40/62/17/1034406217.db2.gz HOIMQZDQUYAMDX-UHFFFAOYSA-N 1 2 368.380 2.965 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1 ZINC001138555330 1034406230 /nfs/dbraw/zinc/40/62/30/1034406230.db2.gz XPIXZYLYWSAZDZ-IBGZPJMESA-N 1 2 374.481 2.814 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2CCO[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1 ZINC001138555330 1034406234 /nfs/dbraw/zinc/40/62/34/1034406234.db2.gz XPIXZYLYWSAZDZ-IBGZPJMESA-N 1 2 374.481 2.814 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC001535620749 1069858536 /nfs/dbraw/zinc/85/85/36/1069858536.db2.gz UMXZPVXXSREWBA-LEWJYISDSA-N 1 2 360.461 2.830 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC001535620749 1069858559 /nfs/dbraw/zinc/85/85/59/1069858559.db2.gz UMXZPVXXSREWBA-LEWJYISDSA-N 1 2 360.461 2.830 20 30 FFEDLO CCSCCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221324284 1034677576 /nfs/dbraw/zinc/67/75/76/1034677576.db2.gz UEYZMLSPUWJOQQ-CRAIPNDOSA-N 1 2 361.486 2.873 20 30 FFEDLO CCSCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221324284 1034677582 /nfs/dbraw/zinc/67/75/82/1034677582.db2.gz UEYZMLSPUWJOQQ-CRAIPNDOSA-N 1 2 361.486 2.873 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)c(C)s3)C[C@H]21 ZINC001221422150 1034735970 /nfs/dbraw/zinc/73/59/70/1034735970.db2.gz RUSRAXNRXRGSBZ-DJIMGWMZSA-N 1 2 363.527 2.774 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)c(C)s3)C[C@H]21 ZINC001221422150 1034735981 /nfs/dbraw/zinc/73/59/81/1034735981.db2.gz RUSRAXNRXRGSBZ-DJIMGWMZSA-N 1 2 363.527 2.774 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncc(Br)c4occc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226577774 1034745447 /nfs/dbraw/zinc/74/54/47/1034745447.db2.gz KJZUXDWQSQVSDZ-PEUDNIOHSA-N 1 2 351.200 2.582 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncc(Br)c4occc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226577774 1034745454 /nfs/dbraw/zinc/74/54/54/1034745454.db2.gz KJZUXDWQSQVSDZ-PEUDNIOHSA-N 1 2 351.200 2.582 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)c3c(F)cccc3F)C[C@H]21 ZINC001221436189 1034757616 /nfs/dbraw/zinc/75/76/16/1034757616.db2.gz OYPHTQBHFJERJM-JJRVBVJISA-N 1 2 350.409 2.761 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)c3c(F)cccc3F)C[C@H]21 ZINC001221436189 1034757629 /nfs/dbraw/zinc/75/76/29/1034757629.db2.gz OYPHTQBHFJERJM-JJRVBVJISA-N 1 2 350.409 2.761 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]21 ZINC001221468116 1034791652 /nfs/dbraw/zinc/79/16/52/1034791652.db2.gz HGCZMNQIJWTDBX-VQIMIIECSA-N 1 2 364.436 2.980 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C[C@H]21 ZINC001221468116 1034791664 /nfs/dbraw/zinc/79/16/64/1034791664.db2.gz HGCZMNQIJWTDBX-VQIMIIECSA-N 1 2 364.436 2.980 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001221471103 1034794817 /nfs/dbraw/zinc/79/48/17/1034794817.db2.gz NKGQVPGCNINEIP-DNVCBOLYSA-N 1 2 364.436 2.980 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001221471103 1034794831 /nfs/dbraw/zinc/79/48/31/1034794831.db2.gz NKGQVPGCNINEIP-DNVCBOLYSA-N 1 2 364.436 2.980 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(Cl)n3)C[C@H]21 ZINC001221471310 1034795706 /nfs/dbraw/zinc/79/57/06/1034795706.db2.gz XSIWEPYKJFURNX-NVXWUHKLSA-N 1 2 363.889 2.751 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@H+](Cc3cccc(Cl)n3)C[C@H]21 ZINC001221471310 1034795713 /nfs/dbraw/zinc/79/57/13/1034795713.db2.gz XSIWEPYKJFURNX-NVXWUHKLSA-N 1 2 363.889 2.751 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2CC[N@H+](Cc3noc4c3CCCC4)C[C@H]21 ZINC001221488367 1034813015 /nfs/dbraw/zinc/81/30/15/1034813015.db2.gz FLPBZIZIETUWTP-VQIMIIECSA-N 1 2 355.482 2.780 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3noc4c3CCCC4)C[C@H]21 ZINC001221488367 1034813025 /nfs/dbraw/zinc/81/30/25/1034813025.db2.gz FLPBZIZIETUWTP-VQIMIIECSA-N 1 2 355.482 2.780 20 30 FFEDLO CO[C@@H](C)CCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221500425 1034827327 /nfs/dbraw/zinc/82/73/27/1034827327.db2.gz ZUFAGCVGYMYHBR-POZUXBRTSA-N 1 2 359.445 2.545 20 30 FFEDLO CO[C@@H](C)CCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221500425 1034827341 /nfs/dbraw/zinc/82/73/41/1034827341.db2.gz ZUFAGCVGYMYHBR-POZUXBRTSA-N 1 2 359.445 2.545 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](Cc3cnc(C(F)(F)F)nc3)C[C@H]21 ZINC001221584801 1034896385 /nfs/dbraw/zinc/89/63/85/1034896385.db2.gz DDHXYOJAMDTEMK-HUUCEWRRSA-N 1 2 368.403 2.884 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](Cc3cnc(C(F)(F)F)nc3)C[C@H]21 ZINC001221584801 1034896392 /nfs/dbraw/zinc/89/63/92/1034896392.db2.gz DDHXYOJAMDTEMK-HUUCEWRRSA-N 1 2 368.403 2.884 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)COCCc3cccc(F)c3)[C@@H]2C1 ZINC001221600203 1034905830 /nfs/dbraw/zinc/90/58/30/1034905830.db2.gz MDKOGBRTZMSFGP-SJLPKXTDSA-N 1 2 366.864 2.670 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)COCCc3cccc(F)c3)[C@@H]2C1 ZINC001221600203 1034905832 /nfs/dbraw/zinc/90/58/32/1034905832.db2.gz MDKOGBRTZMSFGP-SJLPKXTDSA-N 1 2 366.864 2.670 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCCC(C)(C)C)C[C@H]21 ZINC001221760836 1035045683 /nfs/dbraw/zinc/04/56/83/1035045683.db2.gz RQPLDUMLXXHSHL-KZNAEPCWSA-N 1 2 363.546 2.674 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCCC(C)(C)C)C[C@H]21 ZINC001221760836 1035045692 /nfs/dbraw/zinc/04/56/92/1035045692.db2.gz RQPLDUMLXXHSHL-KZNAEPCWSA-N 1 2 363.546 2.674 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3cccc(C)c3)C[C@H]21 ZINC001221779572 1035061827 /nfs/dbraw/zinc/06/18/27/1035061827.db2.gz BJXJGILRHXNZJP-IEBWSBKVSA-N 1 2 355.482 2.823 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3cccc(C)c3)C[C@H]21 ZINC001221779572 1035061831 /nfs/dbraw/zinc/06/18/31/1035061831.db2.gz BJXJGILRHXNZJP-IEBWSBKVSA-N 1 2 355.482 2.823 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N[C@H](C)CCC)C[C@H]32)CC1 ZINC001221795095 1035076001 /nfs/dbraw/zinc/07/60/01/1035076001.db2.gz JFOWDLLRMFGRCG-KZNAEPCWSA-N 1 2 361.530 2.570 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3CC[N@H+](CC(=O)N[C@H](C)CCC)C[C@H]32)CC1 ZINC001221795095 1035076008 /nfs/dbraw/zinc/07/60/08/1035076008.db2.gz JFOWDLLRMFGRCG-KZNAEPCWSA-N 1 2 361.530 2.570 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C[NH+]3CCN(c4cnccn4)CC3)cn2)cc1 ZINC001139423307 1035101790 /nfs/dbraw/zinc/10/17/90/1035101790.db2.gz CESFDGAMNNPITK-UHFFFAOYSA-N 1 2 372.432 2.858 20 30 FFEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)CCCO1 ZINC001139428905 1035104418 /nfs/dbraw/zinc/10/44/18/1035104418.db2.gz PWGXFUAXJBMTIJ-SFHVURJKSA-N 1 2 367.405 2.509 20 30 FFEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)CCCO1 ZINC001139428905 1035104433 /nfs/dbraw/zinc/10/44/33/1035104433.db2.gz PWGXFUAXJBMTIJ-SFHVURJKSA-N 1 2 367.405 2.509 20 30 FFEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cn(Cc3ccccc3)nn1)C2 ZINC001139489321 1035132712 /nfs/dbraw/zinc/13/27/12/1035132712.db2.gz ZONUWIOTEBBBLC-RTWAWAEBSA-N 1 2 368.481 2.653 20 30 FFEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cn(Cc3ccccc3)nn1)C2 ZINC001139489321 1035132719 /nfs/dbraw/zinc/13/27/19/1035132719.db2.gz ZONUWIOTEBBBLC-RTWAWAEBSA-N 1 2 368.481 2.653 20 30 FFEDLO N#Cc1ccc2[nH]cc(C[N@H+]3Cc4nccn4C[C@H](Cn4cccn4)C3)c2c1 ZINC001140114359 1035346619 /nfs/dbraw/zinc/34/66/19/1035346619.db2.gz VUZPLTNGXQUODC-QGZVFWFLSA-N 1 2 371.448 2.765 20 30 FFEDLO N#Cc1ccc2[nH]cc(C[N@@H+]3Cc4nccn4C[C@H](Cn4cccn4)C3)c2c1 ZINC001140114359 1035346622 /nfs/dbraw/zinc/34/66/22/1035346622.db2.gz VUZPLTNGXQUODC-QGZVFWFLSA-N 1 2 371.448 2.765 20 30 FFEDLO CC(C)C(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1ccc(C#N)cc1F)CCO2 ZINC001140138823 1035356188 /nfs/dbraw/zinc/35/61/88/1035356188.db2.gz SOXCRHNPSOGKPL-FQEVSTJZSA-N 1 2 359.445 2.547 20 30 FFEDLO CC(C)C(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1ccc(C#N)cc1F)CCO2 ZINC001140138823 1035356198 /nfs/dbraw/zinc/35/61/98/1035356198.db2.gz SOXCRHNPSOGKPL-FQEVSTJZSA-N 1 2 359.445 2.547 20 30 FFEDLO CSc1ncc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)c(N)n1 ZINC001140252661 1035400538 /nfs/dbraw/zinc/40/05/38/1035400538.db2.gz WRQJZLAZSAPSQL-OAHLLOKOSA-N 1 2 355.467 2.696 20 30 FFEDLO CSc1ncc(C[N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)c(N)n1 ZINC001140252661 1035400542 /nfs/dbraw/zinc/40/05/42/1035400542.db2.gz WRQJZLAZSAPSQL-OAHLLOKOSA-N 1 2 355.467 2.696 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)cn1 ZINC001140542675 1035600504 /nfs/dbraw/zinc/60/05/04/1035600504.db2.gz DPCHSYVGDKQIQC-SESVDKBCSA-N 1 2 364.449 2.544 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)cn1 ZINC001140542675 1035600516 /nfs/dbraw/zinc/60/05/16/1035600516.db2.gz DPCHSYVGDKQIQC-SESVDKBCSA-N 1 2 364.449 2.544 20 30 FFEDLO N#Cc1ccnc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)c1 ZINC001232475520 1035720889 /nfs/dbraw/zinc/72/08/89/1035720889.db2.gz KGRZVRAYCYXDGG-GHTZIAJQSA-N 1 2 364.449 2.798 20 30 FFEDLO N#Cc1ccnc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)c1 ZINC001232475520 1035720911 /nfs/dbraw/zinc/72/09/11/1035720911.db2.gz KGRZVRAYCYXDGG-GHTZIAJQSA-N 1 2 364.449 2.798 20 30 FFEDLO Cn1c(=O)c(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)c(Cl)c2ccccc21 ZINC001232642766 1035900518 /nfs/dbraw/zinc/90/05/18/1035900518.db2.gz RTFBGLBHNNSDJX-HNNXBMFYSA-N 1 2 360.866 2.966 20 30 FFEDLO Cn1c(=O)c(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c(Cl)c2ccccc21 ZINC001232642766 1035900527 /nfs/dbraw/zinc/90/05/27/1035900527.db2.gz RTFBGLBHNNSDJX-HNNXBMFYSA-N 1 2 360.866 2.966 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(C#N)ccc3O)C[C@@H]2C1 ZINC001232678729 1035936345 /nfs/dbraw/zinc/93/63/45/1035936345.db2.gz NUDQCCNUPACUJW-NVXWUHKLSA-N 1 2 357.454 2.953 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3O)C[C@@H]2C1 ZINC001232678729 1035936351 /nfs/dbraw/zinc/93/63/51/1035936351.db2.gz NUDQCCNUPACUJW-NVXWUHKLSA-N 1 2 357.454 2.953 20 30 FFEDLO CCCCCCCC[C@H](O)C[NH+]1CC2(C1)CN(C1CCCC1)C(=O)CO2 ZINC001277735467 1036162256 /nfs/dbraw/zinc/16/22/56/1036162256.db2.gz TUTAMZHVRQUIDB-IBGZPJMESA-N 1 2 366.546 2.954 20 30 FFEDLO CCOC(=O)Cc1nc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cs1 ZINC001229420056 1036662410 /nfs/dbraw/zinc/66/24/10/1036662410.db2.gz ADEVCRQNIDCSBA-INIZCTEOSA-N 1 2 371.462 2.774 20 30 FFEDLO CCOC(=O)Cc1nc(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cs1 ZINC001229420056 1036662416 /nfs/dbraw/zinc/66/24/16/1036662416.db2.gz ADEVCRQNIDCSBA-INIZCTEOSA-N 1 2 371.462 2.774 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2c(C)cncc2Br)C1=O ZINC001277392772 1036702325 /nfs/dbraw/zinc/70/23/25/1036702325.db2.gz MJVNFRIRYAJMSR-KRWDZBQOSA-N 1 2 364.287 2.905 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2c(C)cncc2Br)C1=O ZINC001277392772 1036702344 /nfs/dbraw/zinc/70/23/44/1036702344.db2.gz MJVNFRIRYAJMSR-KRWDZBQOSA-N 1 2 364.287 2.905 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cnccc2C)Cc2nnn(CC3CC3)c21 ZINC001141034140 1036786992 /nfs/dbraw/zinc/78/69/92/1036786992.db2.gz RLCCKMQSCDXODE-SFHVURJKSA-N 1 2 353.470 2.694 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](Cc2cnccc2C)Cc2nnn(CC3CC3)c21 ZINC001141034140 1036787010 /nfs/dbraw/zinc/78/70/10/1036787010.db2.gz RLCCKMQSCDXODE-SFHVURJKSA-N 1 2 353.470 2.694 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)oc(=O)c3cc(O)ccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229797861 1036903133 /nfs/dbraw/zinc/90/31/33/1036903133.db2.gz PUUSZXBCRXLIIW-PRNJBGOHSA-N 1 2 365.385 2.643 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)oc(=O)c3cc(O)ccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229797861 1036903146 /nfs/dbraw/zinc/90/31/46/1036903146.db2.gz PUUSZXBCRXLIIW-PRNJBGOHSA-N 1 2 365.385 2.643 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(OC)c(Cl)c2O)C1=O ZINC001277833190 1036930971 /nfs/dbraw/zinc/93/09/71/1036930971.db2.gz CGRVUEBCZVJZLO-GOSISDBHSA-N 1 2 350.846 2.807 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(OC)c(Cl)c2O)C1=O ZINC001277833190 1036930983 /nfs/dbraw/zinc/93/09/83/1036930983.db2.gz CGRVUEBCZVJZLO-GOSISDBHSA-N 1 2 350.846 2.807 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C(C)C)cc2)C[C@H]1C ZINC001206939883 1036954532 /nfs/dbraw/zinc/95/45/32/1036954532.db2.gz YAUABGXLPBJIAY-YLJYHZDGSA-N 1 2 369.509 2.844 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C(C)C)cc2)C[C@H]1C ZINC001206939883 1036954544 /nfs/dbraw/zinc/95/45/44/1036954544.db2.gz YAUABGXLPBJIAY-YLJYHZDGSA-N 1 2 369.509 2.844 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[NH+]1CC2(C1)CN([C@H](C)CC)C(=O)CO2 ZINC001277840222 1036963956 /nfs/dbraw/zinc/96/39/56/1036963956.db2.gz AEBRWRWMMLPTAU-QZTJIDSGSA-N 1 2 352.519 2.586 20 30 FFEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Br)[nH]1)CC2 ZINC001277850070 1037006827 /nfs/dbraw/zinc/00/68/27/1037006827.db2.gz MTADXGWHPOXLSJ-ZDUSSCGKSA-N 1 2 352.276 2.682 20 30 FFEDLO COc1cnc(SC)nc1O[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001230032481 1037046073 /nfs/dbraw/zinc/04/60/73/1037046073.db2.gz NXAKSVYJTVQAJP-HNNXBMFYSA-N 1 2 356.451 2.732 20 30 FFEDLO COc1cnc(SC)nc1O[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001230032481 1037046094 /nfs/dbraw/zinc/04/60/94/1037046094.db2.gz NXAKSVYJTVQAJP-HNNXBMFYSA-N 1 2 356.451 2.732 20 30 FFEDLO N#Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)s1 ZINC001536694967 1070038448 /nfs/dbraw/zinc/03/84/48/1070038448.db2.gz MZDYMYGDMUXDQT-UHFFFAOYSA-N 1 2 353.363 2.644 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C#N)c(Br)c2)C1=O ZINC001277867713 1037101710 /nfs/dbraw/zinc/10/17/10/1037101710.db2.gz MLSJJDIUYMUEIK-SFHVURJKSA-N 1 2 372.266 2.521 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C#N)c(Br)c2)C1=O ZINC001277867713 1037101719 /nfs/dbraw/zinc/10/17/19/1037101719.db2.gz MLSJJDIUYMUEIK-SFHVURJKSA-N 1 2 372.266 2.521 20 30 FFEDLO Cn1cc(C[NH+]2CCC(c3cccc(S(C)(=O)=O)c3)CC2)cc1C#N ZINC001207109191 1037155120 /nfs/dbraw/zinc/15/51/20/1037155120.db2.gz TTYXWLMSEAJOBW-UHFFFAOYSA-N 1 2 357.479 2.680 20 30 FFEDLO C=C(C)CNC(=O)[C@H]1CC12CCN(c1nc(NC3CC3)c(C)c[nH+]1)CC2 ZINC001277925762 1037379118 /nfs/dbraw/zinc/37/91/18/1037379118.db2.gz MLCAQWOSQVKKFB-MRXNPFEDSA-N 1 2 355.486 2.658 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccc3sc(C)nc3c1)C2 ZINC001277487903 1037475352 /nfs/dbraw/zinc/47/53/52/1037475352.db2.gz SMXRKNGVTLKPNK-UHFFFAOYSA-N 1 2 357.479 2.594 20 30 FFEDLO N#Cc1cc(F)c(C[NH+]2CCC(NC(=O)c3ccncc3)CC2)c(F)c1 ZINC001235667724 1037671843 /nfs/dbraw/zinc/67/18/43/1037671843.db2.gz QVSPEFFQHZJHNV-UHFFFAOYSA-N 1 2 356.376 2.626 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(O)c(OC(F)(F)F)c2)CC1 ZINC001235680633 1037678949 /nfs/dbraw/zinc/67/89/49/1037678949.db2.gz VLILKDRCDDXOAQ-UHFFFAOYSA-N 1 2 358.316 2.570 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccco3)no2)C[C@H]1C ZINC001208315222 1038207364 /nfs/dbraw/zinc/20/73/64/1038207364.db2.gz PDDZOLIZYRKPKR-HZPDHXFCSA-N 1 2 370.453 2.850 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccco3)no2)C[C@H]1C ZINC001208315222 1038207380 /nfs/dbraw/zinc/20/73/80/1038207380.db2.gz PDDZOLIZYRKPKR-HZPDHXFCSA-N 1 2 370.453 2.850 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3ccccc3)o2)C[C@H]1C ZINC001208374176 1038262727 /nfs/dbraw/zinc/26/27/27/1038262727.db2.gz BXGJVYIRQKWKFG-SJLPKXTDSA-N 1 2 366.465 2.867 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3ccccc3)o2)C[C@H]1C ZINC001208374176 1038262738 /nfs/dbraw/zinc/26/27/38/1038262738.db2.gz BXGJVYIRQKWKFG-SJLPKXTDSA-N 1 2 366.465 2.867 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001208508856 1038370768 /nfs/dbraw/zinc/37/07/68/1038370768.db2.gz JRKNHFPFFPPRQO-HGHGUNKESA-N 1 2 357.498 2.972 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001208508856 1038370781 /nfs/dbraw/zinc/37/07/81/1038370781.db2.gz JRKNHFPFFPPRQO-HGHGUNKESA-N 1 2 357.498 2.972 20 30 FFEDLO CC(C)(C)Oc1ccccc1C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001237032873 1038413712 /nfs/dbraw/zinc/41/37/12/1038413712.db2.gz ZISGNJRKLORCIJ-UHFFFAOYSA-N 1 2 351.454 2.848 20 30 FFEDLO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001208922606 1038589152 /nfs/dbraw/zinc/58/91/52/1038589152.db2.gz IURMXRSQTYORGH-HXUWFJFHSA-N 1 2 365.481 2.614 20 30 FFEDLO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CC[N@H+]1CCc1ccc(C#N)cc1 ZINC001208922606 1038589156 /nfs/dbraw/zinc/58/91/56/1038589156.db2.gz IURMXRSQTYORGH-HXUWFJFHSA-N 1 2 365.481 2.614 20 30 FFEDLO C=CCN(CC[NH+]1CCN(c2cc(Cl)ccn2)CC1)C(=O)OCC ZINC001209022197 1038637475 /nfs/dbraw/zinc/63/74/75/1038637475.db2.gz JAUAIUUGGABOHF-UHFFFAOYSA-N 1 2 352.866 2.502 20 30 FFEDLO Cc1cccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)c1 ZINC001256989694 1038672907 /nfs/dbraw/zinc/67/29/07/1038672907.db2.gz KVVNHHQHQNYDGV-UHFFFAOYSA-N 1 2 369.490 2.810 20 30 FFEDLO CCOC(=O)C1(C(=O)OCC)CCC([NH2+][C@](C)(C#N)CC(C)C)CC1 ZINC001256999611 1038675733 /nfs/dbraw/zinc/67/57/33/1038675733.db2.gz RICOMIFRNUVMLG-SFHVURJKSA-N 1 2 352.475 2.960 20 30 FFEDLO CC[C@@H](C)N1CCC2(CC[NH+](CC(=O)c3ccc(C#N)cc3)CC2)C1=O ZINC001276627581 1038719354 /nfs/dbraw/zinc/71/93/54/1038719354.db2.gz OASBCYXFUJQVJP-MRXNPFEDSA-N 1 2 353.466 2.854 20 30 FFEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC001251142125 1038964868 /nfs/dbraw/zinc/96/48/68/1038964868.db2.gz GDRBAOXZWVQANH-HXUWFJFHSA-N 1 2 372.513 2.837 20 30 FFEDLO CC(C)(C)OC(=O)N1CCCC2(CCC(N3CC[NH2+]C[C@@H]3C#N)CC2)C1 ZINC001257769973 1038970227 /nfs/dbraw/zinc/97/02/27/1038970227.db2.gz LVOCHVNIWFACCK-GNZRSQJKSA-N 1 2 362.518 2.744 20 30 FFEDLO CCCCCCCC[C@H](O)C[N@H+]1Cc2nnn(CC)c2[C@@H](COC)C1 ZINC001252125187 1039439204 /nfs/dbraw/zinc/43/92/04/1039439204.db2.gz BIJGBRCTCSAEIS-SJORKVTESA-N 1 2 352.523 2.955 20 30 FFEDLO CCCCCCCC[C@H](O)C[N@@H+]1Cc2nnn(CC)c2[C@@H](COC)C1 ZINC001252125187 1039439210 /nfs/dbraw/zinc/43/92/10/1039439210.db2.gz BIJGBRCTCSAEIS-SJORKVTESA-N 1 2 352.523 2.955 20 30 FFEDLO COc1cc(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)ccc1Cl ZINC001278670770 1039584422 /nfs/dbraw/zinc/58/44/22/1039584422.db2.gz ONXVZJLXJCBGIW-UHFFFAOYSA-N 1 2 370.884 2.877 20 30 FFEDLO C=CCC[C@H](O)C[N@H+]1CCc2c(nnn2CC)[C@H]1COCc1ccccc1 ZINC001252595426 1039605421 /nfs/dbraw/zinc/60/54/21/1039605421.db2.gz HPIZXOHSCJSGBZ-AZUAARDMSA-N 1 2 370.497 2.741 20 30 FFEDLO C=CCC[C@H](O)C[N@@H+]1CCc2c(nnn2CC)[C@H]1COCc1ccccc1 ZINC001252595426 1039605433 /nfs/dbraw/zinc/60/54/33/1039605433.db2.gz HPIZXOHSCJSGBZ-AZUAARDMSA-N 1 2 370.497 2.741 20 30 FFEDLO CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)ccc1F ZINC001278680791 1039689481 /nfs/dbraw/zinc/68/94/81/1039689481.db2.gz IZOJZIDEUMNQKA-HDICACEKSA-N 1 2 353.445 2.763 20 30 FFEDLO CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)ccc1F ZINC001278680791 1039689486 /nfs/dbraw/zinc/68/94/86/1039689486.db2.gz IZOJZIDEUMNQKA-HDICACEKSA-N 1 2 353.445 2.763 20 30 FFEDLO C#CC[C@@H]([NH3+])c1nc(-c2ccc(S(=O)(=O)c3ccccc3)cc2)no1 ZINC001247609461 1039829121 /nfs/dbraw/zinc/82/91/21/1039829121.db2.gz IPJKZKDCWNJPLR-MRXNPFEDSA-N 1 2 353.403 2.593 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C)c1ccccc1 ZINC001211200329 1039992065 /nfs/dbraw/zinc/99/20/65/1039992065.db2.gz UKIUAATYUCXQCI-LSTHTHJFSA-N 1 2 352.482 2.717 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C)c1ccccc1 ZINC001211200329 1039992082 /nfs/dbraw/zinc/99/20/82/1039992082.db2.gz UKIUAATYUCXQCI-LSTHTHJFSA-N 1 2 352.482 2.717 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1C)c1ccccc1 ZINC001211212379 1040000666 /nfs/dbraw/zinc/00/06/66/1040000666.db2.gz XEEAQVCOTXFVAH-BHIYHBOVSA-N 1 2 352.482 2.717 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1C)c1ccccc1 ZINC001211212379 1040000683 /nfs/dbraw/zinc/00/06/83/1040000683.db2.gz XEEAQVCOTXFVAH-BHIYHBOVSA-N 1 2 352.482 2.717 20 30 FFEDLO CCc1cnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)o1 ZINC001211231954 1040016021 /nfs/dbraw/zinc/01/60/21/1040016021.db2.gz BPSGGTINSUBWHR-VQIMIIECSA-N 1 2 351.450 2.615 20 30 FFEDLO CCc1cnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)o1 ZINC001211231954 1040016040 /nfs/dbraw/zinc/01/60/40/1040016040.db2.gz BPSGGTINSUBWHR-VQIMIIECSA-N 1 2 351.450 2.615 20 30 FFEDLO CC(C)n1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)n1 ZINC001211235714 1040021502 /nfs/dbraw/zinc/02/15/02/1040021502.db2.gz VPKKTKIXDLUMLO-WIYYLYMNSA-N 1 2 364.493 2.842 20 30 FFEDLO CC(C)n1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)n1 ZINC001211235714 1040021522 /nfs/dbraw/zinc/02/15/22/1040021522.db2.gz VPKKTKIXDLUMLO-WIYYLYMNSA-N 1 2 364.493 2.842 20 30 FFEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C1 ZINC001248752207 1040395845 /nfs/dbraw/zinc/39/58/45/1040395845.db2.gz BPJHHDXXWKYNKL-IBGZPJMESA-N 1 2 373.497 2.924 20 30 FFEDLO CCc1cc(C#N)ccc1C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C1 ZINC001248752207 1040395856 /nfs/dbraw/zinc/39/58/56/1040395856.db2.gz BPJHHDXXWKYNKL-IBGZPJMESA-N 1 2 373.497 2.924 20 30 FFEDLO C=C/C(C)=C\CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213285075 1040410665 /nfs/dbraw/zinc/41/06/65/1040410665.db2.gz DCUDEPPAZYMTOR-NVZPETFISA-N 1 2 356.441 2.515 20 30 FFEDLO C=C/C(C)=C\CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213285075 1040410673 /nfs/dbraw/zinc/41/06/73/1040410673.db2.gz DCUDEPPAZYMTOR-NVZPETFISA-N 1 2 356.441 2.515 20 30 FFEDLO CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2OC)CCC1 ZINC001213305443 1040428168 /nfs/dbraw/zinc/42/81/68/1040428168.db2.gz BTFXVQZAFZMOAR-IAGOWNOFSA-N 1 2 361.511 2.906 20 30 FFEDLO CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2OC)CCC1 ZINC001213305443 1040428170 /nfs/dbraw/zinc/42/81/70/1040428170.db2.gz BTFXVQZAFZMOAR-IAGOWNOFSA-N 1 2 361.511 2.906 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2OC)CCC1 ZINC001213307976 1040430716 /nfs/dbraw/zinc/43/07/16/1040430716.db2.gz YZNXXDVFMKCSJL-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2OC)CCC1 ZINC001213307976 1040430723 /nfs/dbraw/zinc/43/07/23/1040430723.db2.gz YZNXXDVFMKCSJL-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO COCCOCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1C#N)C2 ZINC001278749708 1040456433 /nfs/dbraw/zinc/45/64/33/1040456433.db2.gz RADXMHWFNYFPRR-FQEVSTJZSA-N 1 2 361.461 2.606 20 30 FFEDLO COCCOCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1C#N)C2 ZINC001278749708 1040456438 /nfs/dbraw/zinc/45/64/38/1040456438.db2.gz RADXMHWFNYFPRR-FQEVSTJZSA-N 1 2 361.461 2.606 20 30 FFEDLO COc1ccc(Cn2cc(C[N@@H+]3CC[C@@H]4SC(=O)C=C4C3)cn2)cc1 ZINC001249323486 1040683535 /nfs/dbraw/zinc/68/35/35/1040683535.db2.gz UWYVAEOOSQHBNW-SFHVURJKSA-N 1 2 355.463 2.714 20 30 FFEDLO COc1ccc(Cn2cc(C[N@H+]3CC[C@@H]4SC(=O)C=C4C3)cn2)cc1 ZINC001249323486 1040683546 /nfs/dbraw/zinc/68/35/46/1040683546.db2.gz UWYVAEOOSQHBNW-SFHVURJKSA-N 1 2 355.463 2.714 20 30 FFEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1nc3cc(OC)ccc3[nH]1)C2 ZINC001249414105 1040737678 /nfs/dbraw/zinc/73/76/78/1040737678.db2.gz SAYZOECEDLLZAC-UZLBHIALSA-N 1 2 357.454 2.898 20 30 FFEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1nc3cc(OC)ccc3[nH]1)C2 ZINC001249414105 1040737687 /nfs/dbraw/zinc/73/76/87/1040737687.db2.gz SAYZOECEDLLZAC-UZLBHIALSA-N 1 2 357.454 2.898 20 30 FFEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1nc(C(=O)OC)cs1)C2 ZINC001249473010 1040790876 /nfs/dbraw/zinc/79/08/76/1040790876.db2.gz KAZSEZCILIVWMS-MAUKXSAKSA-N 1 2 366.483 2.503 20 30 FFEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1nc(C(=O)OC)cs1)C2 ZINC001249473010 1040790889 /nfs/dbraw/zinc/79/08/89/1040790889.db2.gz KAZSEZCILIVWMS-MAUKXSAKSA-N 1 2 366.483 2.503 20 30 FFEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC001260920753 1040887390 /nfs/dbraw/zinc/88/73/90/1040887390.db2.gz DFAQGBGVPPFXJC-UHFFFAOYSA-N 1 2 371.462 2.745 20 30 FFEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1)C(=O)OCC ZINC001254765278 1040938223 /nfs/dbraw/zinc/93/82/23/1040938223.db2.gz RKUIXPQWZGVUJH-SIFCLUCFSA-N 1 2 364.486 2.873 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3COC[C@H]32)c1F ZINC001249681546 1040938908 /nfs/dbraw/zinc/93/89/08/1040938908.db2.gz YLYPASXWVDLAON-IPMKNSEASA-N 1 2 353.397 2.508 20 30 FFEDLO N#Cc1cccc(C[N@H+]2C[C@@H](OCc3cccnc3)[C@H]3COC[C@H]32)c1F ZINC001249681546 1040938922 /nfs/dbraw/zinc/93/89/22/1040938922.db2.gz YLYPASXWVDLAON-IPMKNSEASA-N 1 2 353.397 2.508 20 30 FFEDLO COc1nc(OC)c(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)cc1C ZINC001250338583 1041173179 /nfs/dbraw/zinc/17/31/79/1041173179.db2.gz PMYFWXOTSQPJHL-UHFFFAOYSA-N 1 2 352.438 2.601 20 30 FFEDLO CCCCCCCCOCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001214863808 1041599966 /nfs/dbraw/zinc/59/99/66/1041599966.db2.gz XGTICQBNBNEGRM-NVXWUHKLSA-N 1 2 368.547 2.852 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC001263316231 1042237158 /nfs/dbraw/zinc/23/71/58/1042237158.db2.gz PNXUSWPYCKHKJZ-BBWFWOEESA-N 1 2 361.534 2.539 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@H](CC#N)C2)n1C[C@@H]1CCCO1 ZINC001263461178 1042324681 /nfs/dbraw/zinc/32/46/81/1042324681.db2.gz OCFUHCWQKHXCDO-OKZBNKHCSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@H](CC#N)C2)n1C[C@@H]1CCCO1 ZINC001263461178 1042324684 /nfs/dbraw/zinc/32/46/84/1042324684.db2.gz OCFUHCWQKHXCDO-OKZBNKHCSA-N 1 2 372.517 2.744 20 30 FFEDLO CCCCc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C#CC(C)(C)C)C2)no1 ZINC001263900295 1042520056 /nfs/dbraw/zinc/52/00/56/1042520056.db2.gz AYPXQWGFBFYMQS-JKSUJKDBSA-N 1 2 360.502 2.836 20 30 FFEDLO Cc1ccccc1-c1cnc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)C#N)[C@H]2C)o1 ZINC001264135560 1042631334 /nfs/dbraw/zinc/63/13/34/1042631334.db2.gz JTPWPBCGCWALTF-INMHGKMJSA-N 1 2 352.438 2.889 20 30 FFEDLO Cc1ccccc1-c1cnc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)C#N)[C@H]2C)o1 ZINC001264135560 1042631335 /nfs/dbraw/zinc/63/13/35/1042631335.db2.gz JTPWPBCGCWALTF-INMHGKMJSA-N 1 2 352.438 2.889 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(C(F)(F)F)CC2)[C@H]1C ZINC001264161199 1042644748 /nfs/dbraw/zinc/64/47/48/1042644748.db2.gz FKKIDMPFBCQDBX-ZJUUUORDSA-N 1 2 355.198 2.817 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(C(F)(F)F)CC2)[C@H]1C ZINC001264161199 1042644751 /nfs/dbraw/zinc/64/47/51/1042644751.db2.gz FKKIDMPFBCQDBX-ZJUUUORDSA-N 1 2 355.198 2.817 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ncnn2CC)C[C@H]1c1ccccc1 ZINC001264445643 1042673411 /nfs/dbraw/zinc/67/34/11/1042673411.db2.gz PDPLWCLJDKJNIL-RBUKOAKNSA-N 1 2 367.497 2.739 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2ncnn2CC)C[C@H]1c1ccccc1 ZINC001264445643 1042673416 /nfs/dbraw/zinc/67/34/16/1042673416.db2.gz PDPLWCLJDKJNIL-RBUKOAKNSA-N 1 2 367.497 2.739 20 30 FFEDLO C=CC1(CC(=O)N2C[C@@H]3C[N@H+](Cc4cnn(C)n4)CC[C@@H]3C2)CCCCC1 ZINC001264652979 1042770957 /nfs/dbraw/zinc/77/09/57/1042770957.db2.gz DQRCSRFANOULAD-MSOLQXFVSA-N 1 2 371.529 2.622 20 30 FFEDLO C=CC1(CC(=O)N2C[C@@H]3C[N@@H+](Cc4cnn(C)n4)CC[C@@H]3C2)CCCCC1 ZINC001264652979 1042770960 /nfs/dbraw/zinc/77/09/60/1042770960.db2.gz DQRCSRFANOULAD-MSOLQXFVSA-N 1 2 371.529 2.622 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccnc(OC)n3)[C@@H]2C)CCCCC1 ZINC001264735226 1042817173 /nfs/dbraw/zinc/81/71/73/1042817173.db2.gz VQRDTXPUBQUCPK-AEFFLSMTSA-N 1 2 370.497 2.538 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2CC[N@H+](Cc3ccnc(OC)n3)[C@@H]2C)CCCCC1 ZINC001264735226 1042817177 /nfs/dbraw/zinc/81/71/77/1042817177.db2.gz VQRDTXPUBQUCPK-AEFFLSMTSA-N 1 2 370.497 2.538 20 30 FFEDLO Cn1cc(C[N@@H+]2CCc3onc(Cn4ccnc4)c3C2)c2cc(C#N)ccc21 ZINC001237467936 1043184754 /nfs/dbraw/zinc/18/47/54/1043184754.db2.gz ISJNKLWEXVNSQO-UHFFFAOYSA-N 1 2 372.432 2.841 20 30 FFEDLO Cn1cc(C[N@H+]2CCc3onc(Cn4ccnc4)c3C2)c2cc(C#N)ccc21 ZINC001237467936 1043184762 /nfs/dbraw/zinc/18/47/62/1043184762.db2.gz ISJNKLWEXVNSQO-UHFFFAOYSA-N 1 2 372.432 2.841 20 30 FFEDLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2Cc1cn2cc(C#N)ccc2n1 ZINC001237604885 1043264080 /nfs/dbraw/zinc/26/40/80/1043264080.db2.gz SRQIUSJOTMAGEK-UHFFFAOYSA-N 1 2 367.453 2.695 20 30 FFEDLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@H+]2Cc1cn2cc(C#N)ccc2n1 ZINC001237604885 1043264088 /nfs/dbraw/zinc/26/40/88/1043264088.db2.gz SRQIUSJOTMAGEK-UHFFFAOYSA-N 1 2 367.453 2.695 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC(N3CCCCS3(=O)=O)CC2)c(Cl)c1 ZINC001238085025 1043524645 /nfs/dbraw/zinc/52/46/45/1043524645.db2.gz UBRBDMXHQJVCBY-UHFFFAOYSA-N 1 2 367.902 2.602 20 30 FFEDLO Cn1cc(CN2C[C@@H]3CC[N@H+](Cc4nc(C5CC5)cs4)[C@@H]3C2)cc1C#N ZINC001279744373 1043574204 /nfs/dbraw/zinc/57/42/04/1043574204.db2.gz RGZXYXRQXGRRND-QFBILLFUSA-N 1 2 367.522 2.937 20 30 FFEDLO Cn1cc(CN2C[C@@H]3CC[N@@H+](Cc4nc(C5CC5)cs4)[C@@H]3C2)cc1C#N ZINC001279744373 1043574215 /nfs/dbraw/zinc/57/42/15/1043574215.db2.gz RGZXYXRQXGRRND-QFBILLFUSA-N 1 2 367.522 2.937 20 30 FFEDLO N#Cc1cc(N2C[C@@H]3COC[C@H](C2)[N@@H+]3CCCC(F)(F)F)ccc1F ZINC001279770804 1043615252 /nfs/dbraw/zinc/61/52/52/1043615252.db2.gz AFHNPNIFYUBEMO-GASCZTMLSA-N 1 2 357.351 2.929 20 30 FFEDLO N#Cc1cc(N2C[C@@H]3COC[C@H](C2)[N@H+]3CCCC(F)(F)F)ccc1F ZINC001279770804 1043615256 /nfs/dbraw/zinc/61/52/56/1043615256.db2.gz AFHNPNIFYUBEMO-GASCZTMLSA-N 1 2 357.351 2.929 20 30 FFEDLO N#Cc1cc(N2CCC[C@@]3(C2)C[N@H+](Cc2ccc[nH]2)CCO3)ccc1F ZINC001279772460 1043618181 /nfs/dbraw/zinc/61/81/81/1043618181.db2.gz RIEZMFKSEFEGKG-FQEVSTJZSA-N 1 2 354.429 2.897 20 30 FFEDLO N#Cc1cc(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccc[nH]2)CCO3)ccc1F ZINC001279772460 1043618185 /nfs/dbraw/zinc/61/81/85/1043618185.db2.gz RIEZMFKSEFEGKG-FQEVSTJZSA-N 1 2 354.429 2.897 20 30 FFEDLO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC001238417041 1043695072 /nfs/dbraw/zinc/69/50/72/1043695072.db2.gz UMFQLZIULHHCRB-WMLDXEAASA-N 1 2 368.437 2.519 20 30 FFEDLO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC001238417041 1043695077 /nfs/dbraw/zinc/69/50/77/1043695077.db2.gz UMFQLZIULHHCRB-WMLDXEAASA-N 1 2 368.437 2.519 20 30 FFEDLO CN(C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc(F)cc(C#N)c1)C1CC(F)(F)C1 ZINC001279822305 1043706519 /nfs/dbraw/zinc/70/65/19/1043706519.db2.gz WMCFKORMNMNVSJ-IFXJQAMLSA-N 1 2 363.383 2.918 20 30 FFEDLO CN(C(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1cc(F)cc(C#N)c1)C1CC(F)(F)C1 ZINC001279822305 1043706525 /nfs/dbraw/zinc/70/65/25/1043706525.db2.gz WMCFKORMNMNVSJ-IFXJQAMLSA-N 1 2 363.383 2.918 20 30 FFEDLO COc1ncc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1C#N ZINC001311197859 1043841262 /nfs/dbraw/zinc/84/12/62/1043841262.db2.gz UHLCWDWPRWNXDP-UHFFFAOYSA-N 1 2 355.398 2.646 20 30 FFEDLO CCCCCCCNC(=S)N1CC[C@H]2[C@@H]1CC[N@@H+]2COCCOC ZINC001279956902 1043982564 /nfs/dbraw/zinc/98/25/64/1043982564.db2.gz CNVXRGFOYOCCFO-IRXDYDNUSA-N 1 2 357.564 2.600 20 30 FFEDLO CCCCCCCNC(=S)N1CC[C@H]2[C@@H]1CC[N@H+]2COCCOC ZINC001279956902 1043982571 /nfs/dbraw/zinc/98/25/71/1043982571.db2.gz CNVXRGFOYOCCFO-IRXDYDNUSA-N 1 2 357.564 2.600 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CCCCNC(=S)Nc1ccccc1SC ZINC001239378811 1044108277 /nfs/dbraw/zinc/10/82/77/1044108277.db2.gz HCXMHZVCSJVINO-ZDUSSCGKSA-N 1 2 367.540 2.922 20 30 FFEDLO Cc1ccc(C#N)c(NC(=O)[C@@H]2CCSC23C[NH+](Cc2cnco2)C3)c1 ZINC001280044320 1044128906 /nfs/dbraw/zinc/12/89/06/1044128906.db2.gz FCNVUWHHGOCOEL-INIZCTEOSA-N 1 2 368.462 2.801 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)[C@H]1CC13C[NH+](Cc1cnco1)C3)CCCC2 ZINC001280044918 1044129649 /nfs/dbraw/zinc/12/96/49/1044129649.db2.gz UKSBYTNMESCCAC-OAHLLOKOSA-N 1 2 368.462 2.947 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3ccnc4ccc(C#N)cc43)cn2)CC1 ZINC001241560856 1044548304 /nfs/dbraw/zinc/54/83/04/1044548304.db2.gz PSIASIBZAHXMMS-UHFFFAOYSA-N 1 2 372.476 2.828 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001280674742 1044721904 /nfs/dbraw/zinc/72/19/04/1044721904.db2.gz OFPRSDLCQSEFJU-JFIYKMOQSA-N 1 2 370.497 2.635 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001280674742 1044721916 /nfs/dbraw/zinc/72/19/16/1044721916.db2.gz OFPRSDLCQSEFJU-JFIYKMOQSA-N 1 2 370.497 2.635 20 30 FFEDLO CSc1ncc(C#N)c(-c2ccc(OCC[NH+]3CCOCC3)cc2F)n1 ZINC001244131287 1045082649 /nfs/dbraw/zinc/08/26/49/1045082649.db2.gz XWDCTPBZUFFZCH-UHFFFAOYSA-N 1 2 374.441 2.587 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1cccc(OC)c1Cl ZINC001317464174 1045098513 /nfs/dbraw/zinc/09/85/13/1045098513.db2.gz QHLWWPYQYNUYJX-YJBOKZPZSA-N 1 2 366.889 2.878 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+](C)Cc1cccc(OC)c1Cl ZINC001317464174 1045098527 /nfs/dbraw/zinc/09/85/27/1045098527.db2.gz QHLWWPYQYNUYJX-YJBOKZPZSA-N 1 2 366.889 2.878 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001281794793 1045143810 /nfs/dbraw/zinc/14/38/10/1045143810.db2.gz STGSETVUCTZNIV-BZUAXINKSA-N 1 2 354.454 2.513 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CCO[C@H]2CCCC[C@H]2C)CC1 ZINC001539430863 1070637139 /nfs/dbraw/zinc/63/71/39/1070637139.db2.gz MWSULHCITQDKBN-MOPGFXCFSA-N 1 2 373.545 2.752 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)CC=C)CC1 ZINC001539444402 1070639307 /nfs/dbraw/zinc/63/93/07/1070639307.db2.gz NJGGKPUNMKNRTE-UHFFFAOYSA-N 1 2 364.497 2.698 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCC[C@H]2CC)CC1 ZINC001539453700 1070641742 /nfs/dbraw/zinc/64/17/42/1070641742.db2.gz CEIFYAITOSMAFH-MOPGFXCFSA-N 1 2 355.530 2.812 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]c(Br)c3)CC2)cc1 ZINC001318497899 1045314535 /nfs/dbraw/zinc/31/45/35/1045314535.db2.gz GKLVANBBCKMRLG-UHFFFAOYSA-N 1 2 373.254 2.607 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 ZINC001320024925 1045330852 /nfs/dbraw/zinc/33/08/52/1045330852.db2.gz GWKUUXZOLMBBPO-DOMZBBRYSA-N 1 2 368.355 2.614 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 ZINC001320024925 1045330853 /nfs/dbraw/zinc/33/08/53/1045330853.db2.gz GWKUUXZOLMBBPO-DOMZBBRYSA-N 1 2 368.355 2.614 20 30 FFEDLO C=CCCC(=O)N1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]2C1 ZINC001282297614 1045484699 /nfs/dbraw/zinc/48/46/99/1045484699.db2.gz ZKCLPLUHDVWYLN-MSOLQXFVSA-N 1 2 366.465 2.529 20 30 FFEDLO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)ccc1C#N ZINC001320931501 1045496517 /nfs/dbraw/zinc/49/65/17/1045496517.db2.gz UIIZEZUADGBAHY-MOPGFXCFSA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)ccc1C#N ZINC001320931501 1045496519 /nfs/dbraw/zinc/49/65/19/1045496519.db2.gz UIIZEZUADGBAHY-MOPGFXCFSA-N 1 2 373.453 2.730 20 30 FFEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3csc(C#N)c3)c2)CC1 ZINC001324731693 1046192683 /nfs/dbraw/zinc/19/26/83/1046192683.db2.gz MTBGTEBAUCLPES-UHFFFAOYSA-N 1 2 368.462 2.536 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc(CC)n1C[C@H](C)[NH+]1CCOCC1 ZINC001540134083 1070771060 /nfs/dbraw/zinc/77/10/60/1070771060.db2.gz RVHCUIKOQURNID-SFHVURJKSA-N 1 2 369.513 2.754 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001285119191 1046727082 /nfs/dbraw/zinc/72/70/82/1046727082.db2.gz YGCNRPSINIFRHA-SPYBWZPUSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001285119191 1046727095 /nfs/dbraw/zinc/72/70/95/1046727095.db2.gz YGCNRPSINIFRHA-SPYBWZPUSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCCCC(=O)N1CCCC[C@@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001285281096 1046792728 /nfs/dbraw/zinc/79/27/28/1046792728.db2.gz JHYHIQCXMUORFK-BRWVUGGUSA-N 1 2 358.486 2.757 20 30 FFEDLO C=CCCCC(=O)N1CCCC[C@@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001285281096 1046792739 /nfs/dbraw/zinc/79/27/39/1046792739.db2.gz JHYHIQCXMUORFK-BRWVUGGUSA-N 1 2 358.486 2.757 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001285985438 1046979564 /nfs/dbraw/zinc/97/95/64/1046979564.db2.gz BORCTUAIZGZRCY-UYTYNIKBSA-N 1 2 370.497 2.707 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001285985438 1046979573 /nfs/dbraw/zinc/97/95/73/1046979573.db2.gz BORCTUAIZGZRCY-UYTYNIKBSA-N 1 2 370.497 2.707 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2=CCCCC2)CC1 ZINC001286480138 1047121049 /nfs/dbraw/zinc/12/10/49/1047121049.db2.gz KMCOEVHLCMXCNA-IBGZPJMESA-N 1 2 369.513 2.775 20 30 FFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001327114033 1047192754 /nfs/dbraw/zinc/19/27/54/1047192754.db2.gz MRUGOCSQIZEFGC-QFBILLFUSA-N 1 2 350.466 2.952 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)C[C@H]1c1ccccc1 ZINC001316643937 1047353890 /nfs/dbraw/zinc/35/38/90/1047353890.db2.gz ZZKVSZIWJPGFRA-JCGIZDLHSA-N 1 2 364.449 2.796 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1c1ccccc1 ZINC001316643937 1047353902 /nfs/dbraw/zinc/35/39/02/1047353902.db2.gz ZZKVSZIWJPGFRA-JCGIZDLHSA-N 1 2 364.449 2.796 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001288988348 1047552753 /nfs/dbraw/zinc/55/27/53/1047552753.db2.gz AIIYWTOHPCNSLI-DLBZAZTESA-N 1 2 360.502 2.762 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)CCCCC1 ZINC001289803485 1047744145 /nfs/dbraw/zinc/74/41/45/1047744145.db2.gz GLYQZPWRCRKVJY-SJLPKXTDSA-N 1 2 370.497 2.538 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C\c3ccc(C=O)cc3)CC2)cc1 ZINC001290046164 1047813334 /nfs/dbraw/zinc/81/33/34/1047813334.db2.gz NSSFXHNQEDGYCZ-KTKRTIGZSA-N 1 2 359.429 2.728 20 30 FFEDLO COc1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(F)cc1C#N ZINC001331462390 1047950548 /nfs/dbraw/zinc/95/05/48/1047950548.db2.gz NNBXHCFALVLBOG-LJQANCHMSA-N 1 2 369.396 2.545 20 30 FFEDLO COc1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(F)cc1C#N ZINC001331462390 1047950555 /nfs/dbraw/zinc/95/05/55/1047950555.db2.gz NNBXHCFALVLBOG-LJQANCHMSA-N 1 2 369.396 2.545 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CC2(C)CCCCC2)CC1 ZINC001329126350 1048588376 /nfs/dbraw/zinc/58/83/76/1048588376.db2.gz ZCHRAEOISBFNFD-GOSISDBHSA-N 1 2 371.529 2.855 20 30 FFEDLO C=CC(C)(C)CCCNC(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC001330036940 1049014149 /nfs/dbraw/zinc/01/41/49/1049014149.db2.gz YDAYNGPVIJTTBQ-UHFFFAOYSA-N 1 2 368.481 2.656 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001291974555 1049029404 /nfs/dbraw/zinc/02/94/04/1049029404.db2.gz KDGYJHRZSPTREK-FZKCQIBNSA-N 1 2 358.486 2.538 20 30 FFEDLO C=C(C)CCC(=O)NC1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001333976667 1049188584 /nfs/dbraw/zinc/18/85/84/1049188584.db2.gz FRRUVWQLGMNSRR-BHUNQDJPSA-N 1 2 358.486 2.755 20 30 FFEDLO C=C(C)CCC(=O)NC1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001333976667 1049188587 /nfs/dbraw/zinc/18/85/87/1049188587.db2.gz FRRUVWQLGMNSRR-BHUNQDJPSA-N 1 2 358.486 2.755 20 30 FFEDLO CC(C)(NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC001334081652 1049238819 /nfs/dbraw/zinc/23/88/19/1049238819.db2.gz FRRKYLWUQOEANN-UHFFFAOYSA-N 1 2 354.376 2.726 20 30 FFEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[C@@H]1C#N ZINC001293138720 1049492086 /nfs/dbraw/zinc/49/20/86/1049492086.db2.gz ZTGOAUYEQPPMIJ-QZTJIDSGSA-N 1 2 352.438 2.860 20 30 FFEDLO C=C(C)CCC(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1 ZINC001296749556 1050088610 /nfs/dbraw/zinc/08/86/10/1050088610.db2.gz KKLAMKSPYMHCBY-KURKYZTESA-N 1 2 366.465 2.843 20 30 FFEDLO C=C(C)CCC(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1 ZINC001296749556 1050088613 /nfs/dbraw/zinc/08/86/13/1050088613.db2.gz KKLAMKSPYMHCBY-KURKYZTESA-N 1 2 366.465 2.843 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1Cc2ccccc2O[C@H](C)C1 ZINC001339879809 1050296047 /nfs/dbraw/zinc/29/60/47/1050296047.db2.gz CWWSQWPTURGKFO-OAHLLOKOSA-N 1 2 364.453 2.576 20 30 FFEDLO C=C1CCN(c2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2C)CC1 ZINC001339902530 1050318420 /nfs/dbraw/zinc/31/84/20/1050318420.db2.gz HHBHYQFZWCTMGH-GOSISDBHSA-N 1 2 353.470 2.545 20 30 FFEDLO C=C1CCN(c2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2C)CC1 ZINC001339902530 1050318431 /nfs/dbraw/zinc/31/84/31/1050318431.db2.gz HHBHYQFZWCTMGH-GOSISDBHSA-N 1 2 353.470 2.545 20 30 FFEDLO C=C(C)Cn1c(N(Cc2ccco2)C(C)C)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001341739624 1050358032 /nfs/dbraw/zinc/35/80/32/1050358032.db2.gz LLOZKGMZOFZZQP-OXQOHEQNSA-N 1 2 373.501 2.774 20 30 FFEDLO C=C(C)Cn1c(N(Cc2ccco2)C(C)C)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001341739624 1050358041 /nfs/dbraw/zinc/35/80/41/1050358041.db2.gz LLOZKGMZOFZZQP-OXQOHEQNSA-N 1 2 373.501 2.774 20 30 FFEDLO C=C(C)Cn1c(N(C)c2cccc(C)c2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001341839440 1050451224 /nfs/dbraw/zinc/45/12/24/1050451224.db2.gz NWZQMFWWRZJNTC-YLJYHZDGSA-N 1 2 355.486 2.842 20 30 FFEDLO C=C(C)Cn1c(N(C)c2cccc(C)c2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001341839440 1050451231 /nfs/dbraw/zinc/45/12/31/1050451231.db2.gz NWZQMFWWRZJNTC-YLJYHZDGSA-N 1 2 355.486 2.842 20 30 FFEDLO CCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC001341841551 1050452350 /nfs/dbraw/zinc/45/23/50/1050452350.db2.gz KXCVSCMCBCTSFG-KRWDZBQOSA-N 1 2 350.422 2.672 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)CCC(F)(F)F ZINC001340195788 1050604096 /nfs/dbraw/zinc/60/40/96/1050604096.db2.gz OZLDCJHPQGHDEJ-ZIAGYGMSSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)CCC(F)(F)F ZINC001340195788 1050604101 /nfs/dbraw/zinc/60/41/01/1050604101.db2.gz OZLDCJHPQGHDEJ-ZIAGYGMSSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC(C)(F)CC1 ZINC001342012386 1050609050 /nfs/dbraw/zinc/60/90/50/1050609050.db2.gz FXCBBNRKZHNBJE-HOTGVXAUSA-N 1 2 363.481 2.718 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC(C)(F)CC1 ZINC001342012386 1050609062 /nfs/dbraw/zinc/60/90/62/1050609062.db2.gz FXCBBNRKZHNBJE-HOTGVXAUSA-N 1 2 363.481 2.718 20 30 FFEDLO C=CCn1c([C@H](CC)OCC)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001342163509 1050755458 /nfs/dbraw/zinc/75/54/58/1050755458.db2.gz CXGIQSBVSQNPLU-KRWDZBQOSA-N 1 2 370.501 2.975 20 30 FFEDLO C=CC1CCN(c2nnc(CC(C)C)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001301127000 1050818789 /nfs/dbraw/zinc/81/87/89/1050818789.db2.gz GEZYOVPYNQXPKQ-KRWDZBQOSA-N 1 2 361.534 2.600 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1 ZINC001340516344 1050909302 /nfs/dbraw/zinc/90/93/02/1050909302.db2.gz ZRAAYOHPFLZVSQ-YLJYHZDGSA-N 1 2 368.460 2.925 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1 ZINC001340516344 1050909316 /nfs/dbraw/zinc/90/93/16/1050909316.db2.gz ZRAAYOHPFLZVSQ-YLJYHZDGSA-N 1 2 368.460 2.925 20 30 FFEDLO COCCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)[C@H](C)CC#N ZINC001342343873 1050938676 /nfs/dbraw/zinc/93/86/76/1050938676.db2.gz CJNLYWQYFYLTCZ-SJORKVTESA-N 1 2 370.501 2.856 20 30 FFEDLO COCCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)[C@H](C)CC#N ZINC001342343873 1050938688 /nfs/dbraw/zinc/93/86/88/1050938688.db2.gz CJNLYWQYFYLTCZ-SJORKVTESA-N 1 2 370.501 2.856 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(Cc2[nH+]ccn2Cc2ccccc2)n1CC=C ZINC001340733233 1051091096 /nfs/dbraw/zinc/09/10/96/1051091096.db2.gz PAHQYUPUOFCWGP-KRWDZBQOSA-N 1 2 360.465 2.758 20 30 FFEDLO C#CC[C@H](CC)c1nnc(N2CCc3cc[nH+]c(N(C)C)c3C2)n1CC ZINC001342515668 1051118284 /nfs/dbraw/zinc/11/82/84/1051118284.db2.gz DWGLNAYLBKEGFH-HNNXBMFYSA-N 1 2 352.486 2.839 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc([C@@]2(C)C[C@H](O)C[N@@H+]2C)n1CC ZINC001342562783 1051167339 /nfs/dbraw/zinc/16/73/39/1051167339.db2.gz KPRZDDYSMIZXDJ-OXJNMPFZSA-N 1 2 373.476 2.541 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc([C@@]2(C)C[C@H](O)C[N@H+]2C)n1CC ZINC001342562783 1051167344 /nfs/dbraw/zinc/16/73/44/1051167344.db2.gz KPRZDDYSMIZXDJ-OXJNMPFZSA-N 1 2 373.476 2.541 20 30 FFEDLO C=CCN(CCc1ccco1)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1CC ZINC001341334458 1051689979 /nfs/dbraw/zinc/68/99/79/1051689979.db2.gz WHEYUSAMPJOGMW-GOSISDBHSA-N 1 2 373.501 2.908 20 30 FFEDLO C=CCN(CCc1ccco1)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1CC ZINC001341334458 1051689986 /nfs/dbraw/zinc/68/99/86/1051689986.db2.gz WHEYUSAMPJOGMW-GOSISDBHSA-N 1 2 373.501 2.908 20 30 FFEDLO C[C@@H](CN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C)c1nccs1 ZINC001341439753 1051797190 /nfs/dbraw/zinc/79/71/90/1051797190.db2.gz AXTAVMHYEBMKPB-AWEZNQCLSA-N 1 2 373.530 2.605 20 30 FFEDLO C[C@H](CC#N)N(C)c1nnc(C[NH+]2CCCC2)n1CCc1ccccc1 ZINC001341500376 1051854540 /nfs/dbraw/zinc/85/45/40/1051854540.db2.gz CBKHMUPPHZPSRN-QGZVFWFLSA-N 1 2 352.486 2.855 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(C)[C@@H]1CCCc2c1cnn2C ZINC001343416698 1052217814 /nfs/dbraw/zinc/21/78/14/1052217814.db2.gz LBOIVXJXWRJVFJ-QGZVFWFLSA-N 1 2 369.517 2.697 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3cc(F)c(C#N)cc3[N+](=O)[O-])CC2)cc1 ZINC001306908962 1052220409 /nfs/dbraw/zinc/22/04/09/1052220409.db2.gz QGLMYKWJQRGNGI-UHFFFAOYSA-N 1 2 365.368 2.799 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCC3(F)F)n2CC(C)C)CC1 ZINC001343608601 1052334854 /nfs/dbraw/zinc/33/48/54/1052334854.db2.gz RPYYXCKMTJWHTD-HNNXBMFYSA-N 1 2 351.445 2.592 20 30 FFEDLO C#CC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)CC1 ZINC001307869513 1052359503 /nfs/dbraw/zinc/35/95/03/1052359503.db2.gz LFXNNIGJPSCNAS-UHFFFAOYSA-N 1 2 360.479 2.697 20 30 FFEDLO C[C@H]1[C@H](c2cccc(F)c2)OCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC001307869263 1052359526 /nfs/dbraw/zinc/35/95/26/1052359526.db2.gz QZCIEAZMPYTZJX-KFKAGJAMSA-N 1 2 362.445 2.659 20 30 FFEDLO C[C@H]1[C@H](c2cccc(F)c2)OCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC001307869263 1052359527 /nfs/dbraw/zinc/35/95/27/1052359527.db2.gz QZCIEAZMPYTZJX-KFKAGJAMSA-N 1 2 362.445 2.659 20 30 FFEDLO N#CCC[NH+]1CCC(c2nnc(N3CCCCC3)n2C[C@@H]2CCCO2)CC1 ZINC001345320344 1052384140 /nfs/dbraw/zinc/38/41/40/1052384140.db2.gz CTLLZVZAJUDLMG-SFHVURJKSA-N 1 2 372.517 2.540 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2CCC[C@@H](C#N)C2)n1Cc1ccccc1 ZINC001344069990 1052578384 /nfs/dbraw/zinc/57/83/84/1052578384.db2.gz XKXWFGFVXGNYNC-ZWKOTPCHSA-N 1 2 350.470 2.833 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2CCC[C@@H](C#N)C2)n1Cc1ccccc1 ZINC001344069990 1052578391 /nfs/dbraw/zinc/57/83/91/1052578391.db2.gz XKXWFGFVXGNYNC-ZWKOTPCHSA-N 1 2 350.470 2.833 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001344132163 1052615932 /nfs/dbraw/zinc/61/59/32/1052615932.db2.gz ISUVOEFPSRYOCG-HZPDHXFCSA-N 1 2 354.454 2.848 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCO[C@](C)(C(F)(F)F)C1 ZINC001346187977 1052781695 /nfs/dbraw/zinc/78/16/95/1052781695.db2.gz NFACGMKKOBLPDT-BBRMVZONSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCO[C@](C)(C(F)(F)F)C1 ZINC001346187977 1052781696 /nfs/dbraw/zinc/78/16/96/1052781696.db2.gz NFACGMKKOBLPDT-BBRMVZONSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001344512112 1052811958 /nfs/dbraw/zinc/81/19/58/1052811958.db2.gz IRAQYJHFBBEUPE-INMHGKMJSA-N 1 2 360.502 2.544 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001344512112 1052811963 /nfs/dbraw/zinc/81/19/63/1052811963.db2.gz IRAQYJHFBBEUPE-INMHGKMJSA-N 1 2 360.502 2.544 20 30 FFEDLO C=CC[C@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2C[C@@H]2CCCO2)C1 ZINC001344587257 1052846808 /nfs/dbraw/zinc/84/68/08/1052846808.db2.gz PTKOLWMTIURTGJ-ROUUACIJSA-N 1 2 359.518 2.845 20 30 FFEDLO Cc1c(C(=O)[C@@H](C#N)c2nc3c(nccc3C)[nH]2)cnn1-c1cc[nH+]cc1 ZINC001344597750 1052852806 /nfs/dbraw/zinc/85/28/06/1052852806.db2.gz XNNZXPHGKWUIEG-CQSZACIVSA-N 1 2 357.377 2.646 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(C#N)CC1 ZINC001346828298 1053352064 /nfs/dbraw/zinc/35/20/64/1053352064.db2.gz GZDHWRBQPGDNDE-KRWDZBQOSA-N 1 2 360.506 2.601 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(C#N)CC1 ZINC001346828298 1053352082 /nfs/dbraw/zinc/35/20/82/1053352082.db2.gz GZDHWRBQPGDNDE-KRWDZBQOSA-N 1 2 360.506 2.601 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3Cl)n2CC(C)C)CC1 ZINC001347187947 1053704861 /nfs/dbraw/zinc/70/48/61/1053704861.db2.gz DPPCGSQSOYVSEW-UHFFFAOYSA-N 1 2 371.916 2.934 20 30 FFEDLO N#Cc1ccc(Br)nc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC001336505016 1054031559 /nfs/dbraw/zinc/03/15/59/1054031559.db2.gz FYTFAWIWBCKCGK-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc(C[NH+]2CCCC2)n1C[C@H]1CCCO1 ZINC001347779552 1054311608 /nfs/dbraw/zinc/31/16/08/1054311608.db2.gz PMFQEDRBAURAKJ-GOSISDBHSA-N 1 2 374.533 2.819 20 30 FFEDLO N#CCC[NH+]1CCC(c2nnc(N3CCC(C#N)CC3)n2CC2CC2)CC1 ZINC001347965697 1054509919 /nfs/dbraw/zinc/50/99/19/1054509919.db2.gz LKVMKODQPSZEGW-UHFFFAOYSA-N 1 2 367.501 2.521 20 30 FFEDLO C#Cc1ccc(N2CCC[N@@H+](Cc3csc([C@H](C)OC)n3)CC2)nc1 ZINC001348031138 1054574738 /nfs/dbraw/zinc/57/47/38/1054574738.db2.gz FRAXXKOMRYZKNM-HNNXBMFYSA-N 1 2 356.495 2.939 20 30 FFEDLO C#Cc1ccc(N2CCC[N@H+](Cc3csc([C@H](C)OC)n3)CC2)nc1 ZINC001348031138 1054574754 /nfs/dbraw/zinc/57/47/54/1054574754.db2.gz FRAXXKOMRYZKNM-HNNXBMFYSA-N 1 2 356.495 2.939 20 30 FFEDLO C#CCOc1ccc(CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001348070266 1054617541 /nfs/dbraw/zinc/61/75/41/1054617541.db2.gz BEQQXIHYCMNHLX-SFHVURJKSA-N 1 2 366.465 2.596 20 30 FFEDLO C=C(C)c1cccc(NC(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC001348157992 1054707275 /nfs/dbraw/zinc/70/72/75/1054707275.db2.gz GDZYMNYWKORFMT-INIZCTEOSA-N 1 2 366.465 2.873 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCSC(C)(C)C1 ZINC001351543556 1054893136 /nfs/dbraw/zinc/89/31/36/1054893136.db2.gz HNIXTKIVLPCPKN-HNNXBMFYSA-N 1 2 365.547 2.578 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCSC(C)(C)C1 ZINC001351543556 1054893143 /nfs/dbraw/zinc/89/31/43/1054893143.db2.gz HNIXTKIVLPCPKN-HNNXBMFYSA-N 1 2 365.547 2.578 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)C1 ZINC001337651162 1054921010 /nfs/dbraw/zinc/92/10/10/1054921010.db2.gz VVCUUNOIKHHZGT-MRXNPFEDSA-N 1 2 356.388 2.854 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)C1 ZINC001337651162 1054921018 /nfs/dbraw/zinc/92/10/18/1054921018.db2.gz VVCUUNOIKHHZGT-MRXNPFEDSA-N 1 2 356.388 2.854 20 30 FFEDLO C#CC1CCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2Cc2cc(C)on2)CC1 ZINC001352105404 1055194207 /nfs/dbraw/zinc/19/42/07/1055194207.db2.gz VBZDWKDETJFVAY-SFHVURJKSA-N 1 2 368.485 2.629 20 30 FFEDLO C#CC1CCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2Cc2cc(C)on2)CC1 ZINC001352105404 1055194211 /nfs/dbraw/zinc/19/42/11/1055194211.db2.gz VBZDWKDETJFVAY-SFHVURJKSA-N 1 2 368.485 2.629 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccccc2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001356133594 1055319874 /nfs/dbraw/zinc/31/98/74/1055319874.db2.gz IFVLCIXKXURQSJ-MDYRTPRTSA-N 1 2 355.486 2.573 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccccc2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001356133594 1055319891 /nfs/dbraw/zinc/31/98/91/1055319891.db2.gz IFVLCIXKXURQSJ-MDYRTPRTSA-N 1 2 355.486 2.573 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)[C@H](C)c1ccc(F)cc1 ZINC001338775120 1055802082 /nfs/dbraw/zinc/80/20/82/1055802082.db2.gz UYEQDQAXERRPPW-COXVUDFISA-N 1 2 359.449 2.538 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)[C@H](C)c1ccc(F)cc1 ZINC001338775120 1055802099 /nfs/dbraw/zinc/80/20/99/1055802099.db2.gz UYEQDQAXERRPPW-COXVUDFISA-N 1 2 359.449 2.538 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](Cc3ccccc3)CCO2)nnc1N(C)CC1CC1 ZINC001338806281 1055833826 /nfs/dbraw/zinc/83/38/26/1055833826.db2.gz BKEJEQJWDDXHKC-IBGZPJMESA-N 1 2 367.497 2.884 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nnc1N(C)CC1CC1 ZINC001338806281 1055833834 /nfs/dbraw/zinc/83/38/34/1055833834.db2.gz BKEJEQJWDDXHKC-IBGZPJMESA-N 1 2 367.497 2.884 20 30 FFEDLO C=CCC1(O)CCN(c2nnc([C@@H](C)[N@H+](C)Cc3ccccc3)n2C)CC1 ZINC001338940101 1055950069 /nfs/dbraw/zinc/95/00/69/1055950069.db2.gz HCFHMCCNMTWEAM-QGZVFWFLSA-N 1 2 369.513 2.916 20 30 FFEDLO C=CCC1(O)CCN(c2nnc([C@@H](C)[N@@H+](C)Cc3ccccc3)n2C)CC1 ZINC001338940101 1055950076 /nfs/dbraw/zinc/95/00/76/1055950076.db2.gz HCFHMCCNMTWEAM-QGZVFWFLSA-N 1 2 369.513 2.916 20 30 FFEDLO CC[C@@H](C#N)N(CC)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC001339068072 1056063035 /nfs/dbraw/zinc/06/30/35/1056063035.db2.gz UJKXMBLSLFZDRY-KRWDZBQOSA-N 1 2 353.426 2.676 20 30 FFEDLO C=CCn1c(N2CCC[C@]3(CC=CCC3)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339069872 1056064443 /nfs/dbraw/zinc/06/44/43/1056064443.db2.gz SCLOFWNUPUXFOC-DUXKGJEZSA-N 1 2 371.529 2.702 20 30 FFEDLO C=CCn1c(N2CCC[C@]3(CC=CCC3)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339069872 1056064452 /nfs/dbraw/zinc/06/44/52/1056064452.db2.gz SCLOFWNUPUXFOC-DUXKGJEZSA-N 1 2 371.529 2.702 20 30 FFEDLO C[C@H]([NH2+]Cc1cc(=O)n2ncc(C#N)c2[nH]1)c1nc(C(C)(C)C)cs1 ZINC001473356029 1056198424 /nfs/dbraw/zinc/19/84/24/1056198424.db2.gz PRZRTAGMYNWUIQ-JTQLQIEISA-N 1 2 356.455 2.911 20 30 FFEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001353255344 1056230908 /nfs/dbraw/zinc/23/09/08/1056230908.db2.gz UPLVWZWBHZJLFW-GVDBMIGSSA-N 1 2 358.486 2.567 20 30 FFEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001353255344 1056230920 /nfs/dbraw/zinc/23/09/20/1056230920.db2.gz UPLVWZWBHZJLFW-GVDBMIGSSA-N 1 2 358.486 2.567 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1Cc1c[nH+]ccc1OC ZINC001300299604 1056408375 /nfs/dbraw/zinc/40/83/75/1056408375.db2.gz RSYXOZSEVIVBLX-OAHLLOKOSA-N 1 2 362.437 2.558 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)Cc1ccc(C)o1 ZINC001339476019 1056492492 /nfs/dbraw/zinc/49/24/92/1056492492.db2.gz RXUNUGDZCSYXHN-WMZOPIPTSA-N 1 2 371.485 2.928 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)Cc1ccc(C)o1 ZINC001339476019 1056492500 /nfs/dbraw/zinc/49/25/00/1056492500.db2.gz RXUNUGDZCSYXHN-WMZOPIPTSA-N 1 2 371.485 2.928 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1cccc(C)n1 ZINC001339502613 1056520825 /nfs/dbraw/zinc/52/08/25/1056520825.db2.gz UVXGXFRIPDHEPA-UHFFFAOYSA-N 1 2 367.501 2.731 20 30 FFEDLO CCCCCCCCCNC(=S)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001200380379 1056537116 /nfs/dbraw/zinc/53/71/16/1056537116.db2.gz NUSVRZXSJBQZBX-MRXNPFEDSA-N 1 2 368.547 2.719 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(Cc1cccs1)C(C)C ZINC001339532809 1056554695 /nfs/dbraw/zinc/55/46/95/1056554695.db2.gz ZIDKBGUKQWYUMM-HOCLYGCPSA-N 1 2 361.515 2.678 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(Cc1cccs1)C(C)C ZINC001339532809 1056554706 /nfs/dbraw/zinc/55/47/06/1056554706.db2.gz ZIDKBGUKQWYUMM-HOCLYGCPSA-N 1 2 361.515 2.678 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CCCCS2)CC1 ZINC001359028895 1056665506 /nfs/dbraw/zinc/66/55/06/1056665506.db2.gz IISQNJSJJGGWEJ-IRXDYDNUSA-N 1 2 361.559 2.833 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001514398834 1058908194 /nfs/dbraw/zinc/90/81/94/1058908194.db2.gz XWTTTXIKBPNOQQ-BRWVUGGUSA-N 1 2 360.502 2.980 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(COCC)n2CC2(CC)CCCC2)CC1 ZINC001300709750 1059454944 /nfs/dbraw/zinc/45/49/44/1059454944.db2.gz DNSUVWZGYPEXDJ-UHFFFAOYSA-N 1 2 359.518 2.540 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CCC(C)C)CC1 ZINC001507718904 1059699410 /nfs/dbraw/zinc/69/94/10/1059699410.db2.gz VICZAQDJOKTHAI-UHFFFAOYSA-N 1 2 367.497 2.755 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)n2CC(=C)C)C1 ZINC001516031271 1059935235 /nfs/dbraw/zinc/93/52/35/1059935235.db2.gz CPJFOEPOOHYHKB-CEXWTWQISA-N 1 2 369.513 2.630 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@H]3C[N@H+]4CCCC[C@H]4CO3)n2CC(=C)C)C1 ZINC001516031271 1059935258 /nfs/dbraw/zinc/93/52/58/1059935258.db2.gz CPJFOEPOOHYHKB-CEXWTWQISA-N 1 2 369.513 2.630 20 30 FFEDLO N#Cc1cc(N2CC[NH+](CCOc3ccccc3)CC2)c([N+](=O)[O-])s1 ZINC001458059508 1060505195 /nfs/dbraw/zinc/50/51/95/1060505195.db2.gz CNKBCTWCRJNLON-UHFFFAOYSA-N 1 2 358.423 2.729 20 30 FFEDLO C#C[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001517636840 1060575091 /nfs/dbraw/zinc/57/50/91/1060575091.db2.gz ZXCBYNMRPJDKDP-QGZVFWFLSA-N 1 2 374.444 2.555 20 30 FFEDLO C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)Cc1cc(F)c(F)c(F)c1 ZINC001459856580 1060833398 /nfs/dbraw/zinc/83/33/98/1060833398.db2.gz JSXSGCWGRMOBEI-UHFFFAOYSA-N 1 2 372.346 2.835 20 30 FFEDLO C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)Cc1cc(F)c(F)c(F)c1 ZINC001459856580 1060833411 /nfs/dbraw/zinc/83/34/11/1060833411.db2.gz JSXSGCWGRMOBEI-UHFFFAOYSA-N 1 2 372.346 2.835 20 30 FFEDLO C=CC(C)(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001522289741 1061877688 /nfs/dbraw/zinc/87/76/88/1061877688.db2.gz FUUACOWNDJGZFB-ZACQAIPSSA-N 1 2 372.513 2.777 20 30 FFEDLO Cc1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001492775874 1062199539 /nfs/dbraw/zinc/19/95/39/1062199539.db2.gz LAMBNPJQHAQPHT-LRDDRELGSA-N 1 2 362.428 2.906 20 30 FFEDLO C#C[C@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1)C(C)(C)C ZINC001479138316 1062243828 /nfs/dbraw/zinc/24/38/28/1062243828.db2.gz PBUYPAUIFVATOE-MOPGFXCFSA-N 1 2 357.498 2.543 20 30 FFEDLO C#C[C@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1)C(C)(C)C ZINC001479138316 1062243849 /nfs/dbraw/zinc/24/38/49/1062243849.db2.gz PBUYPAUIFVATOE-MOPGFXCFSA-N 1 2 357.498 2.543 20 30 FFEDLO COCCn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)[C@H](C)c1cccc(C#N)c1 ZINC001523617938 1062547685 /nfs/dbraw/zinc/54/76/85/1062547685.db2.gz ZBCSOKCMEVQAPL-QAPCUYQASA-N 1 2 368.485 2.760 20 30 FFEDLO COCCn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)[C@H](C)c1cccc(C#N)c1 ZINC001523617938 1062547698 /nfs/dbraw/zinc/54/76/98/1062547698.db2.gz ZBCSOKCMEVQAPL-QAPCUYQASA-N 1 2 368.485 2.760 20 30 FFEDLO CN(C)c1cc[nH+]c(CNS(=O)(=O)c2c(C#N)sc3ccccc32)c1 ZINC001464532621 1062668450 /nfs/dbraw/zinc/66/84/50/1062668450.db2.gz PQRUPJAAJYTHRR-UHFFFAOYSA-N 1 2 372.475 2.712 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C(F)C(F)(F)F)CC[N@@H+]1CC#Cc1ccccc1 ZINC001479635975 1062673826 /nfs/dbraw/zinc/67/38/26/1062673826.db2.gz QJTXYBQVDOJUJR-XHSDSOJGSA-N 1 2 356.363 2.908 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C(F)C(F)(F)F)CC[N@H+]1CC#Cc1ccccc1 ZINC001479635975 1062673831 /nfs/dbraw/zinc/67/38/31/1062673831.db2.gz QJTXYBQVDOJUJR-XHSDSOJGSA-N 1 2 356.363 2.908 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cnon2)[C@@H]1CC)c1ccccc1 ZINC001479646641 1062722719 /nfs/dbraw/zinc/72/27/19/1062722719.db2.gz HBQGZRRHUSBOHE-CEXWTWQISA-N 1 2 354.454 2.899 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cnon2)[C@@H]1CC)c1ccccc1 ZINC001479646641 1062722733 /nfs/dbraw/zinc/72/27/33/1062722733.db2.gz HBQGZRRHUSBOHE-CEXWTWQISA-N 1 2 354.454 2.899 20 30 FFEDLO C=CCOCc1nnc(N2CCc3cc[nH+]c(N(C)C)c3C2)n1CC(C)C ZINC001524898580 1063041284 /nfs/dbraw/zinc/04/12/84/1063041284.db2.gz XZRBTNIEZPMLOO-UHFFFAOYSA-N 1 2 370.501 2.660 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3ccc(F)c(C#N)c3)C2)cc1 ZINC001532338254 1063041886 /nfs/dbraw/zinc/04/18/86/1063041886.db2.gz WJURUWJXUWMSFT-IBGZPJMESA-N 1 2 367.424 2.637 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)c3ccc(F)c(C#N)c3)C2)cc1 ZINC001532338254 1063041911 /nfs/dbraw/zinc/04/19/11/1063041911.db2.gz WJURUWJXUWMSFT-IBGZPJMESA-N 1 2 367.424 2.637 20 30 FFEDLO C[C@@H]1CCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@H]1CCCO1 ZINC001525129488 1063163209 /nfs/dbraw/zinc/16/32/09/1063163209.db2.gz XDRQXMWPZOBYBL-SJLPKXTDSA-N 1 2 372.517 2.539 20 30 FFEDLO CC1(C#N)CCN(c2nnc(C[NH+]3CCCCC3)n2C[C@@H]2CCCO2)CC1 ZINC001525295128 1063238315 /nfs/dbraw/zinc/23/83/15/1063238315.db2.gz UKQLRFBQPBLLPW-KRWDZBQOSA-N 1 2 372.517 2.573 20 30 FFEDLO N#Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)nc1Cl ZINC001525819664 1063426580 /nfs/dbraw/zinc/42/65/80/1063426580.db2.gz TUODEKMSBWANAJ-UHFFFAOYSA-N 1 2 355.829 2.922 20 30 FFEDLO C#CCNC(=O)c1ccccc1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001442752224 1063562344 /nfs/dbraw/zinc/56/23/44/1063562344.db2.gz UGLPPLJZYCDWOH-GOSISDBHSA-N 1 2 372.428 2.933 20 30 FFEDLO C=CCC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)c2c(C)coc2C)CC1 ZINC001575097368 1078106726 /nfs/dbraw/zinc/10/67/26/1078106726.db2.gz JNIGVCSHMJYPMW-UHFFFAOYSA-N 1 2 357.458 2.697 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001471832295 1064812519 /nfs/dbraw/zinc/81/25/19/1064812519.db2.gz BYJWRHPXYBKGFD-FQEVSTJZSA-N 1 2 352.478 2.742 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001471832295 1064812526 /nfs/dbraw/zinc/81/25/26/1064812526.db2.gz BYJWRHPXYBKGFD-FQEVSTJZSA-N 1 2 352.478 2.742 20 30 FFEDLO C#Cc1cccc(NC(=O)CN(C)c2nc3ccccc3n3c[nH+]cc23)c1 ZINC001472737187 1065138064 /nfs/dbraw/zinc/13/80/64/1065138064.db2.gz LZBQJTMJOMAVQN-UHFFFAOYSA-N 1 2 355.401 2.939 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNc3cc(C#N)nc(C4CC4)n3)C2)c1 ZINC001472856195 1065159309 /nfs/dbraw/zinc/15/93/09/1065159309.db2.gz ZMADBMONNUUHGZ-IBGZPJMESA-N 1 2 363.465 2.847 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNc3cc(C#N)nc(C4CC4)n3)C2)c1 ZINC001472856195 1065159314 /nfs/dbraw/zinc/15/93/14/1065159314.db2.gz ZMADBMONNUUHGZ-IBGZPJMESA-N 1 2 363.465 2.847 20 30 FFEDLO COc1c(O)c(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-] ZINC001474672137 1065575630 /nfs/dbraw/zinc/57/56/30/1065575630.db2.gz OPGKHHHWFKSVCD-UHFFFAOYSA-N 1 2 368.393 2.503 20 30 FFEDLO C=CCC1(C(=O)N2CCCC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001579035259 1078566572 /nfs/dbraw/zinc/56/65/72/1078566572.db2.gz UHGFUDOKDBERPL-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC1(C(=O)N2CCCC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001579035259 1078566577 /nfs/dbraw/zinc/56/65/77/1078566577.db2.gz UHGFUDOKDBERPL-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC001562833552 1073842512 /nfs/dbraw/zinc/84/25/12/1073842512.db2.gz XZLKCEJBPPERCG-OAHLLOKOSA-N 1 2 374.485 2.920 20 30 FFEDLO CCOCCOC1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC001559485280 1076166559 /nfs/dbraw/zinc/16/65/59/1076166559.db2.gz BGEBXGKDPWDPSW-AWEZNQCLSA-N 1 2 363.458 2.613 20 30 FFEDLO Cc1cccc(C#N)c1S(=O)(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC001561626503 1076399933 /nfs/dbraw/zinc/39/99/33/1076399933.db2.gz BTZRRIFJYPQEMZ-UHFFFAOYSA-N 1 2 366.446 2.590 20 30 FFEDLO CC(C)C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC001561958026 1076453753 /nfs/dbraw/zinc/45/37/53/1076453753.db2.gz WSRPCIHVTOVRNF-CYBMUJFWSA-N 1 2 355.891 2.562 20 30 FFEDLO CC(C)C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC001561958026 1076453757 /nfs/dbraw/zinc/45/37/57/1076453757.db2.gz WSRPCIHVTOVRNF-CYBMUJFWSA-N 1 2 355.891 2.562 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H](C)CC)C1 ZINC001565998643 1076833927 /nfs/dbraw/zinc/83/39/27/1076833927.db2.gz CBQDGEINSWNAOL-DFQSSKMNSA-N 1 2 371.525 2.699 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H](C)CC)C1 ZINC001565998643 1076833930 /nfs/dbraw/zinc/83/39/30/1076833930.db2.gz CBQDGEINSWNAOL-DFQSSKMNSA-N 1 2 371.525 2.699 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)[C@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001567687586 1077044653 /nfs/dbraw/zinc/04/46/53/1077044653.db2.gz BNEIILRVGAPXTH-KSZLIROESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)[C@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001567687586 1077044658 /nfs/dbraw/zinc/04/46/58/1077044658.db2.gz BNEIILRVGAPXTH-KSZLIROESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1csc(Cl)n1 ZINC001568933116 1077119974 /nfs/dbraw/zinc/11/99/74/1077119974.db2.gz DMDNODJYICWHKT-NMEQGOOXSA-N 1 2 355.891 2.540 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001573237413 1077621352 /nfs/dbraw/zinc/62/13/52/1077621352.db2.gz VLHRPWSUXKOGIC-ZBFHGGJFSA-N 1 2 360.502 2.606 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@]2(C)CCc3ccccc3C2)c1C#N ZINC000535504147 540478652 /nfs/dbraw/zinc/47/86/52/540478652.db2.gz MSYPTMXNFCMFCU-HXUWFJFHSA-N 1 2 351.454 2.567 20 30 FFEDLO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000102802871 250122941 /nfs/dbraw/zinc/12/29/41/250122941.db2.gz MFCAECRVBMUHQA-UHFFFAOYSA-N 1 2 373.363 2.909 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)N2CCN(c3cc(C)cc[nH+]3)CC2)c(C#N)c1C ZINC000119956890 250528719 /nfs/dbraw/zinc/52/87/19/250528719.db2.gz NAPTWFTWSIZPKA-OAHLLOKOSA-N 1 2 367.453 2.621 20 30 FFEDLO CC[C@@H]1C[C@@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000272746378 252120177 /nfs/dbraw/zinc/12/01/77/252120177.db2.gz NLYOSUSEDKVBMR-VQTJNVASSA-N 1 2 355.482 2.798 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000277664582 256224256 /nfs/dbraw/zinc/22/42/56/256224256.db2.gz FEFLFLQEJMVWMX-SUHUHFCYSA-N 1 2 373.375 2.730 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000277664582 256224258 /nfs/dbraw/zinc/22/42/58/256224258.db2.gz FEFLFLQEJMVWMX-SUHUHFCYSA-N 1 2 373.375 2.730 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000289212389 257266521 /nfs/dbraw/zinc/26/65/21/257266521.db2.gz QAQQACRBIQKTKS-KRWDZBQOSA-N 1 2 358.467 2.832 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Cl)nc3)CC2)cc1[N+](=O)[O-] ZINC000290690989 257352819 /nfs/dbraw/zinc/35/28/19/257352819.db2.gz UNOJEAWBEJLUOS-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000301200528 258033298 /nfs/dbraw/zinc/03/32/98/258033298.db2.gz PHUCNBKUBXWDKI-CQSZACIVSA-N 1 2 360.889 2.781 20 30 FFEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000301276607 258038920 /nfs/dbraw/zinc/03/89/20/258038920.db2.gz MCCOWBJBJZPAFZ-CQSZACIVSA-N 1 2 360.889 2.781 20 30 FFEDLO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000326653486 258116160 /nfs/dbraw/zinc/11/61/60/258116160.db2.gz YQSCLKFVFIQJRB-CQSZACIVSA-N 1 2 360.401 2.995 20 30 FFEDLO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000326653486 258116161 /nfs/dbraw/zinc/11/61/61/258116161.db2.gz YQSCLKFVFIQJRB-CQSZACIVSA-N 1 2 360.401 2.995 20 30 FFEDLO C=CCOc1ccccc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000032275925 506238563 /nfs/dbraw/zinc/23/85/63/506238563.db2.gz OBFFPWLDZZIKGB-IBGZPJMESA-N 1 2 366.461 2.882 20 30 FFEDLO C=CCOc1ccccc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000032275925 506238567 /nfs/dbraw/zinc/23/85/67/506238567.db2.gz OBFFPWLDZZIKGB-IBGZPJMESA-N 1 2 366.461 2.882 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000053065552 506306178 /nfs/dbraw/zinc/30/61/78/506306178.db2.gz WIDJONBMZOLCES-UHFFFAOYSA-N 1 2 350.422 2.938 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000053065552 506306187 /nfs/dbraw/zinc/30/61/87/506306187.db2.gz WIDJONBMZOLCES-UHFFFAOYSA-N 1 2 350.422 2.938 20 30 FFEDLO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000373159878 512199488 /nfs/dbraw/zinc/19/94/88/512199488.db2.gz PLYHUKZVNMGJBG-CQSZACIVSA-N 1 2 357.483 2.878 20 30 FFEDLO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000373159878 512199494 /nfs/dbraw/zinc/19/94/94/512199494.db2.gz PLYHUKZVNMGJBG-CQSZACIVSA-N 1 2 357.483 2.878 20 30 FFEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(Oc3ncccc3F)CC2)cc1 ZINC000373181367 512209415 /nfs/dbraw/zinc/20/94/15/512209415.db2.gz SFDDRWCRWKSWER-UHFFFAOYSA-N 1 2 354.385 2.574 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000373200710 512218334 /nfs/dbraw/zinc/21/83/34/512218334.db2.gz HJTXHARNHCUDGS-JLTOFOAXSA-N 1 2 353.397 2.618 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000373200710 512218340 /nfs/dbraw/zinc/21/83/40/512218340.db2.gz HJTXHARNHCUDGS-JLTOFOAXSA-N 1 2 353.397 2.618 20 30 FFEDLO COc1ccccc1[C@H](NCc1c[nH+]c2ccc(C#N)cn12)c1noc(C)n1 ZINC000375322692 512267313 /nfs/dbraw/zinc/26/73/13/512267313.db2.gz ULXLLRUPEHBXSN-IBGZPJMESA-N 1 2 374.404 2.785 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066559590 506553196 /nfs/dbraw/zinc/55/31/96/506553196.db2.gz HHVXHMXVXRQQNG-IBGZPJMESA-N 1 2 372.490 2.836 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066559590 506553199 /nfs/dbraw/zinc/55/31/99/506553199.db2.gz HHVXHMXVXRQQNG-IBGZPJMESA-N 1 2 372.490 2.836 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1c[nH]c2cc(Cl)ccc21 ZINC000066644431 506593508 /nfs/dbraw/zinc/59/35/08/506593508.db2.gz GHZLTLFSKGEZAL-UHFFFAOYSA-N 1 2 360.845 2.509 20 30 FFEDLO N#Cc1cccc([C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC000371265426 512296683 /nfs/dbraw/zinc/29/66/83/512296683.db2.gz ACFPYDOUFUJNMQ-FQEVSTJZSA-N 1 2 358.401 2.958 20 30 FFEDLO C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)c1 ZINC000010657187 506750283 /nfs/dbraw/zinc/75/02/83/506750283.db2.gz NRCSASRCMWDRRJ-UHFFFAOYSA-N 1 2 370.434 2.588 20 30 FFEDLO C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3[nH+]c(C)[nH]c3c2)c1 ZINC000010657187 506750289 /nfs/dbraw/zinc/75/02/89/506750289.db2.gz NRCSASRCMWDRRJ-UHFFFAOYSA-N 1 2 370.434 2.588 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000067227763 506796295 /nfs/dbraw/zinc/79/62/95/506796295.db2.gz UEONKMCJQKXVRE-UWJYYQICSA-N 1 2 370.424 2.705 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000067227763 506796302 /nfs/dbraw/zinc/79/63/02/506796302.db2.gz UEONKMCJQKXVRE-UWJYYQICSA-N 1 2 370.424 2.705 20 30 FFEDLO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(Cc2cccs2)CC1 ZINC000045411105 506962008 /nfs/dbraw/zinc/96/20/08/506962008.db2.gz RUUNWNVSUITASG-UHFFFAOYSA-N 1 2 360.508 2.828 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H](O)COCc3ccccc3)CCO2)c1 ZINC000371290862 512309967 /nfs/dbraw/zinc/30/99/67/512309967.db2.gz FUMYLCSFLGIPNQ-NHCUHLMSSA-N 1 2 352.434 2.509 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H](O)COCc3ccccc3)CCO2)c1 ZINC000371290862 512309970 /nfs/dbraw/zinc/30/99/70/512309970.db2.gz FUMYLCSFLGIPNQ-NHCUHLMSSA-N 1 2 352.434 2.509 20 30 FFEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000056793462 507093947 /nfs/dbraw/zinc/09/39/47/507093947.db2.gz QNQMDNNPHHDKFC-UHFFFAOYSA-N 1 2 361.486 2.504 20 30 FFEDLO N#Cc1ccc(CN2CCC[N@@H+]([C@@H]3CCN(c4ccccc4)C3=O)CC2)cc1 ZINC000068803029 507328747 /nfs/dbraw/zinc/32/87/47/507328747.db2.gz GRQKAKUPBMETCF-JOCHJYFZSA-N 1 2 374.488 2.871 20 30 FFEDLO N#Cc1ccc(CN2CCC[N@H+]([C@@H]3CCN(c4ccccc4)C3=O)CC2)cc1 ZINC000068803029 507328752 /nfs/dbraw/zinc/32/87/52/507328752.db2.gz GRQKAKUPBMETCF-JOCHJYFZSA-N 1 2 374.488 2.871 20 30 FFEDLO CCc1ccccc1NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258333 507343043 /nfs/dbraw/zinc/34/30/43/507343043.db2.gz PIZJYWZFHYPXIQ-UHFFFAOYSA-N 1 2 362.477 2.877 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047745312 507387312 /nfs/dbraw/zinc/38/73/12/507387312.db2.gz SWCRXXDGHGMMPR-INIZCTEOSA-N 1 2 360.458 2.530 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000048159765 507466001 /nfs/dbraw/zinc/46/60/01/507466001.db2.gz RGMDQHCMZISKJB-UHFFFAOYSA-N 1 2 368.437 2.545 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CSCc3ccccn3)CC2)cc1 ZINC000048245019 507488263 /nfs/dbraw/zinc/48/82/63/507488263.db2.gz BRTXALJGAJKHFD-UHFFFAOYSA-N 1 2 366.490 2.531 20 30 FFEDLO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccccc1Cl ZINC000048911549 507578320 /nfs/dbraw/zinc/57/83/20/507578320.db2.gz XQFHVPUUAZMJOC-KRWDZBQOSA-N 1 2 370.840 2.569 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)c1ccc(C#N)cc1 ZINC000060950080 507587321 /nfs/dbraw/zinc/58/73/21/507587321.db2.gz GNMGSOFATAVXFK-UHFFFAOYSA-N 1 2 354.435 2.585 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000049727989 507634733 /nfs/dbraw/zinc/63/47/33/507634733.db2.gz XPIJOSUHNPGMNP-UHFFFAOYSA-N 1 2 354.410 2.826 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C(=O)OC)cc1)Cc1cccc(C#N)c1 ZINC000063300681 507713341 /nfs/dbraw/zinc/71/33/41/507713341.db2.gz WJOUFFGHIPNHAZ-UHFFFAOYSA-N 1 2 363.417 2.972 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1ccc(C(=O)OC)cc1)Cc1cccc(C#N)c1 ZINC000063300681 507713344 /nfs/dbraw/zinc/71/33/44/507713344.db2.gz WJOUFFGHIPNHAZ-UHFFFAOYSA-N 1 2 363.417 2.972 20 30 FFEDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000051053066 507729335 /nfs/dbraw/zinc/72/93/35/507729335.db2.gz MYMJYISMAXTYAP-HIFRSBDPSA-N 1 2 362.499 2.575 20 30 FFEDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000051053066 507729344 /nfs/dbraw/zinc/72/93/44/507729344.db2.gz MYMJYISMAXTYAP-HIFRSBDPSA-N 1 2 362.499 2.575 20 30 FFEDLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029858549 507793505 /nfs/dbraw/zinc/79/35/05/507793505.db2.gz FBJZSFIOUWBMCI-INIZCTEOSA-N 1 2 358.461 2.610 20 30 FFEDLO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029858108 507793569 /nfs/dbraw/zinc/79/35/69/507793569.db2.gz QLAOFHFSFMKKQY-HXUWFJFHSA-N 1 2 366.440 2.649 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029858385 507793648 /nfs/dbraw/zinc/79/36/48/507793648.db2.gz CJEFGZUQUOJZFY-CQSZACIVSA-N 1 2 370.403 2.986 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000052433877 507809035 /nfs/dbraw/zinc/80/90/35/507809035.db2.gz VGXCVJNNKWBAEA-INIZCTEOSA-N 1 2 371.481 2.598 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)[C@H]1C[N@H+](Cc3ccccc3)CCO1)CCC2 ZINC000078060636 507829385 /nfs/dbraw/zinc/82/93/85/507829385.db2.gz CSLYKPBOEFEZPI-QGZVFWFLSA-N 1 2 367.474 2.948 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)[C@H]1C[N@@H+](Cc3ccccc3)CCO1)CCC2 ZINC000078060636 507829389 /nfs/dbraw/zinc/82/93/89/507829389.db2.gz CSLYKPBOEFEZPI-QGZVFWFLSA-N 1 2 367.474 2.948 20 30 FFEDLO N#Cc1ccc(C(=O)NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)nc1 ZINC000107454397 507852718 /nfs/dbraw/zinc/85/27/18/507852718.db2.gz QLRRTXACJZYIPP-UHFFFAOYSA-N 1 2 369.428 2.841 20 30 FFEDLO CC(C)N(C(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1)C(C)C ZINC000078269247 507853107 /nfs/dbraw/zinc/85/31/07/507853107.db2.gz IKGNXJMDJHVYBS-ICSRJNTNSA-N 1 2 356.514 2.903 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000072899830 507871013 /nfs/dbraw/zinc/87/10/13/507871013.db2.gz RHRQGGWCYPLQQE-MXWKQRLJSA-N 1 2 359.314 2.667 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000072899830 507871015 /nfs/dbraw/zinc/87/10/15/507871015.db2.gz RHRQGGWCYPLQQE-MXWKQRLJSA-N 1 2 359.314 2.667 20 30 FFEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)c1 ZINC000078546186 507882555 /nfs/dbraw/zinc/88/25/55/507882555.db2.gz MAXYAMUSRAASCJ-UHFFFAOYSA-N 1 2 363.417 2.797 20 30 FFEDLO COC(=O)C1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000078585072 507886161 /nfs/dbraw/zinc/88/61/61/507886161.db2.gz QZNLHGQKDWOSFG-UHFFFAOYSA-N 1 2 353.422 2.623 20 30 FFEDLO C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000078616008 507889464 /nfs/dbraw/zinc/88/94/64/507889464.db2.gz QXBHBGPATMUDLR-WIYYLYMNSA-N 1 2 362.477 2.920 20 30 FFEDLO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000078615960 507889684 /nfs/dbraw/zinc/88/96/84/507889684.db2.gz KJUXEVDUJVJFDQ-GHTZIAJQSA-N 1 2 362.477 2.574 20 30 FFEDLO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000078616102 507889879 /nfs/dbraw/zinc/88/98/79/507889879.db2.gz BBDGDAHSNGVVGU-FXAWDEMLSA-N 1 2 354.498 2.706 20 30 FFEDLO CCc1ccc(CC)c(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000078633562 507891579 /nfs/dbraw/zinc/89/15/79/507891579.db2.gz SJURSQCQJDSDNO-UHFFFAOYSA-N 1 2 358.486 2.891 20 30 FFEDLO N#C[C@H]1CN(C(=O)Cn2c3ccccc3[nH+]c2C2CCCCC2)CCO1 ZINC000090554145 507927584 /nfs/dbraw/zinc/92/75/84/507927584.db2.gz HWGKTNHZFAZRPH-INIZCTEOSA-N 1 2 352.438 2.835 20 30 FFEDLO C=CCCC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000091508167 507990912 /nfs/dbraw/zinc/99/09/12/507990912.db2.gz WOTCMQOPXQYKRG-MRXNPFEDSA-N 1 2 364.511 2.940 20 30 FFEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)c2cscc2C#N)CC1 ZINC000410793552 512374807 /nfs/dbraw/zinc/37/48/07/512374807.db2.gz RJAAEKFNKMQXMT-UHFFFAOYSA-N 1 2 368.462 2.536 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(OC)c(OC)cc2OC)c1 ZINC000092143493 508046306 /nfs/dbraw/zinc/04/63/06/508046306.db2.gz RWBAGVUSDJZSER-UHFFFAOYSA-N 1 2 368.433 2.764 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(OC)c(OC)cc2OC)c1 ZINC000092143493 508046308 /nfs/dbraw/zinc/04/63/08/508046308.db2.gz RWBAGVUSDJZSER-UHFFFAOYSA-N 1 2 368.433 2.764 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OCCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361475 508064191 /nfs/dbraw/zinc/06/41/91/508064191.db2.gz MVZRAGZEXONBLM-MRXNPFEDSA-N 1 2 353.484 2.659 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OCCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361475 508064193 /nfs/dbraw/zinc/06/41/93/508064193.db2.gz MVZRAGZEXONBLM-MRXNPFEDSA-N 1 2 353.484 2.659 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OC)c(OCC(=C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361724 508064722 /nfs/dbraw/zinc/06/47/22/508064722.db2.gz GOFWCUMXJGXIMQ-QGZVFWFLSA-N 1 2 365.495 2.825 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OC)c(OCC(=C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361724 508064724 /nfs/dbraw/zinc/06/47/24/508064724.db2.gz GOFWCUMXJGXIMQ-QGZVFWFLSA-N 1 2 365.495 2.825 20 30 FFEDLO Cc1nc(CC(N)=[NH+]OCC(=O)Nc2ccccc2C(F)(F)F)cs1 ZINC000111176891 508075609 /nfs/dbraw/zinc/07/56/09/508075609.db2.gz PZZVYYJARDNBSJ-UHFFFAOYSA-N 1 2 372.372 2.940 20 30 FFEDLO C=CC1CCN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1 ZINC000111447380 508099321 /nfs/dbraw/zinc/09/93/21/508099321.db2.gz GKAMUSXGVQOYHL-UHFFFAOYSA-N 1 2 370.497 2.697 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCN(c4ccccc4O)CC3)o2)cc1 ZINC000075621998 508122159 /nfs/dbraw/zinc/12/21/59/508122159.db2.gz RCAGUFGACDWOBT-UHFFFAOYSA-N 1 2 361.405 2.636 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCN(c4ccccc4O)CC3)o2)c1 ZINC000075622024 508122255 /nfs/dbraw/zinc/12/22/55/508122255.db2.gz KPTQQGYLSWSIIZ-UHFFFAOYSA-N 1 2 361.405 2.636 20 30 FFEDLO N#Cc1csc(C[NH+]2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)c1 ZINC000093363618 508142683 /nfs/dbraw/zinc/14/26/83/508142683.db2.gz JLVNPHBFFKJNCK-LJQANCHMSA-N 1 2 366.490 2.543 20 30 FFEDLO COC[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000093529213 508147696 /nfs/dbraw/zinc/14/76/96/508147696.db2.gz HQJBUBPSXYOAIL-NRFANRHFSA-N 1 2 352.434 2.984 20 30 FFEDLO COC[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000093529213 508147700 /nfs/dbraw/zinc/14/77/00/508147700.db2.gz HQJBUBPSXYOAIL-NRFANRHFSA-N 1 2 352.434 2.984 20 30 FFEDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093771378 508154715 /nfs/dbraw/zinc/15/47/15/508154715.db2.gz GLXCVZGQFPHZIY-SFHVURJKSA-N 1 2 351.454 2.564 20 30 FFEDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093771378 508154716 /nfs/dbraw/zinc/15/47/16/508154716.db2.gz GLXCVZGQFPHZIY-SFHVURJKSA-N 1 2 351.454 2.564 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000081513075 508183738 /nfs/dbraw/zinc/18/37/38/508183738.db2.gz URKVNSUOOYYLCH-SFHVURJKSA-N 1 2 355.463 2.518 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000081513075 508183741 /nfs/dbraw/zinc/18/37/41/508183741.db2.gz URKVNSUOOYYLCH-SFHVURJKSA-N 1 2 355.463 2.518 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000083174220 508239785 /nfs/dbraw/zinc/23/97/85/508239785.db2.gz WFHGMJALZKFXFG-OXQOHEQNSA-N 1 2 364.449 2.546 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554770 508245727 /nfs/dbraw/zinc/24/57/27/508245727.db2.gz QDPHZODDOREWIW-AWEZNQCLSA-N 1 2 369.856 2.756 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1[N+](=O)[O-] ZINC000101558272 508246595 /nfs/dbraw/zinc/24/65/95/508246595.db2.gz SOBZTHISEKEYCN-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO COc1cccc([C@H](NC(=O)c2cc(C#N)cs2)c2[nH+]ccn2C)c1 ZINC000084072993 508264100 /nfs/dbraw/zinc/26/41/00/508264100.db2.gz ZSNPLAGYMRCPBJ-INIZCTEOSA-N 1 2 352.419 2.881 20 30 FFEDLO C[NH+]1CCC(C#N)(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000077038914 508275522 /nfs/dbraw/zinc/27/55/22/508275522.db2.gz ZNICWYWVPSMENA-UHFFFAOYSA-N 1 2 353.466 2.632 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1nccn1CC(F)(F)F ZINC000077278611 508294761 /nfs/dbraw/zinc/29/47/61/508294761.db2.gz ZSCQEBVZYYNLGV-UHFFFAOYSA-N 1 2 368.359 2.836 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1nccn1CC(F)(F)F ZINC000077278611 508294763 /nfs/dbraw/zinc/29/47/63/508294763.db2.gz ZSCQEBVZYYNLGV-UHFFFAOYSA-N 1 2 368.359 2.836 20 30 FFEDLO CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C#N)cc2C)c[nH+]1 ZINC000077385865 508308849 /nfs/dbraw/zinc/30/88/49/508308849.db2.gz UKNUNGSBUSBZPQ-UHFFFAOYSA-N 1 2 358.467 2.586 20 30 FFEDLO C=CCNC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCOC(C)(C)C1 ZINC000103504861 508315997 /nfs/dbraw/zinc/31/59/97/508315997.db2.gz PPPUTJNNUDDFAU-MRXNPFEDSA-N 1 2 351.878 2.977 20 30 FFEDLO C=CCNC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCOC(C)(C)C1 ZINC000103504861 508315999 /nfs/dbraw/zinc/31/59/99/508315999.db2.gz PPPUTJNNUDDFAU-MRXNPFEDSA-N 1 2 351.878 2.977 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CCC[C@@H](C(=O)OCC)C1)Cc1cccs1 ZINC000104883322 508350498 /nfs/dbraw/zinc/35/04/98/508350498.db2.gz CUFSBGXBJHSGGO-OAHLLOKOSA-N 1 2 350.484 2.538 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CCC[C@@H](C(=O)OCC)C1)Cc1cccs1 ZINC000104883322 508350500 /nfs/dbraw/zinc/35/05/00/508350500.db2.gz CUFSBGXBJHSGGO-OAHLLOKOSA-N 1 2 350.484 2.538 20 30 FFEDLO CSCC[C@](C)(C#N)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000410852600 512393110 /nfs/dbraw/zinc/39/31/10/512393110.db2.gz LXISDJKCDGDGGQ-MRXNPFEDSA-N 1 2 359.411 2.546 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cn1 ZINC000115379540 508389163 /nfs/dbraw/zinc/38/91/63/508389163.db2.gz UYAPLBHVNDKABA-HNNXBMFYSA-N 1 2 356.376 2.626 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cn1 ZINC000115379540 508389165 /nfs/dbraw/zinc/38/91/65/508389165.db2.gz UYAPLBHVNDKABA-HNNXBMFYSA-N 1 2 356.376 2.626 20 30 FFEDLO CSCC[C@@](C)(C#N)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000410852599 512393731 /nfs/dbraw/zinc/39/37/31/512393731.db2.gz LXISDJKCDGDGGQ-INIZCTEOSA-N 1 2 359.411 2.546 20 30 FFEDLO C=C(Br)C[NH2+][C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000127214963 508415602 /nfs/dbraw/zinc/41/56/02/508415602.db2.gz JSCSXUMBWNRIRH-GFCCVEGCSA-N 1 2 351.166 2.904 20 30 FFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cc(Br)cs2)C(N)=O)cc1 ZINC000115597417 508416587 /nfs/dbraw/zinc/41/65/87/508416587.db2.gz PGOGVXVSBMJEJH-CYBMUJFWSA-N 1 2 350.241 2.698 20 30 FFEDLO CC(C)CC(=O)Nc1cccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115598360 508416658 /nfs/dbraw/zinc/41/66/58/508416658.db2.gz UCOAGGCICZFXFQ-FQEVSTJZSA-N 1 2 364.449 2.859 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152491074 508456943 /nfs/dbraw/zinc/45/69/43/508456943.db2.gz GIWRZPSPDXXQNA-WBVHZDCISA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152491074 508456947 /nfs/dbraw/zinc/45/69/47/508456947.db2.gz GIWRZPSPDXXQNA-WBVHZDCISA-N 1 2 358.804 2.921 20 30 FFEDLO N#CC[N@@H+](C[C@H](O)COc1ccc(Br)cc1)C1CCCC1 ZINC000156712523 508466681 /nfs/dbraw/zinc/46/66/81/508466681.db2.gz VIBIJVXNAPZADV-HNNXBMFYSA-N 1 2 353.260 2.957 20 30 FFEDLO N#CC[N@H+](C[C@H](O)COc1ccc(Br)cc1)C1CCCC1 ZINC000156712523 508466684 /nfs/dbraw/zinc/46/66/84/508466684.db2.gz VIBIJVXNAPZADV-HNNXBMFYSA-N 1 2 353.260 2.957 20 30 FFEDLO Cc1cccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000156861011 508488025 /nfs/dbraw/zinc/48/80/25/508488025.db2.gz LFVQBPALLOVAPT-LJQANCHMSA-N 1 2 355.463 2.873 20 30 FFEDLO Cc1cccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000156861011 508488026 /nfs/dbraw/zinc/48/80/26/508488026.db2.gz LFVQBPALLOVAPT-LJQANCHMSA-N 1 2 355.463 2.873 20 30 FFEDLO NC(=[NH+]OCc1nccn1C(F)F)c1ccc(N2CCCCC2)nc1 ZINC000157106943 508523798 /nfs/dbraw/zinc/52/37/98/508523798.db2.gz ZYLWUILYWZDYDH-UHFFFAOYSA-N 1 2 350.373 2.501 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000157130908 508527554 /nfs/dbraw/zinc/52/75/54/508527554.db2.gz YOPKOHJLFVUOQI-OAHLLOKOSA-N 1 2 369.425 2.707 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000157130908 508527558 /nfs/dbraw/zinc/52/75/58/508527558.db2.gz YOPKOHJLFVUOQI-OAHLLOKOSA-N 1 2 369.425 2.707 20 30 FFEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000157149004 508530270 /nfs/dbraw/zinc/53/02/70/508530270.db2.gz DPWBFRCMHMNQHK-SFHVURJKSA-N 1 2 351.406 2.791 20 30 FFEDLO COc1ccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)cc1OCCCC#N ZINC000377690682 512401306 /nfs/dbraw/zinc/40/13/06/512401306.db2.gz DNMVSSBMJSJDKW-ROUUACIJSA-N 1 2 360.454 2.758 20 30 FFEDLO COc1ccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)cc1OCCCC#N ZINC000377690682 512401308 /nfs/dbraw/zinc/40/13/08/512401308.db2.gz DNMVSSBMJSJDKW-ROUUACIJSA-N 1 2 360.454 2.758 20 30 FFEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000153316862 508571389 /nfs/dbraw/zinc/57/13/89/508571389.db2.gz NOJMXYNSSMAFSD-MGPUTAFESA-N 1 2 365.481 2.963 20 30 FFEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000153316862 508571392 /nfs/dbraw/zinc/57/13/92/508571392.db2.gz NOJMXYNSSMAFSD-MGPUTAFESA-N 1 2 365.481 2.963 20 30 FFEDLO CCC(=O)N1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000122709446 508575963 /nfs/dbraw/zinc/57/59/63/508575963.db2.gz GTFDUDNCRYKPKG-UHFFFAOYSA-N 1 2 366.465 2.682 20 30 FFEDLO CCC(=O)N1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000122709446 508575965 /nfs/dbraw/zinc/57/59/65/508575965.db2.gz GTFDUDNCRYKPKG-UHFFFAOYSA-N 1 2 366.465 2.682 20 30 FFEDLO N#Cc1ccccc1N1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000117640881 508609037 /nfs/dbraw/zinc/60/90/37/508609037.db2.gz PIVIULXZFBTRKS-UHFFFAOYSA-N 1 2 357.417 2.706 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1OC ZINC000122940818 508611070 /nfs/dbraw/zinc/61/10/70/508611070.db2.gz NGHUANRBJUVWEB-UHFFFAOYSA-N 1 2 364.449 2.849 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1OC ZINC000122966902 508615257 /nfs/dbraw/zinc/61/52/57/508615257.db2.gz CJFXDEYQBMSDTE-UHFFFAOYSA-N 1 2 352.438 2.683 20 30 FFEDLO CC[C@@]1(C)C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CCO1 ZINC000135646344 508637243 /nfs/dbraw/zinc/63/72/43/508637243.db2.gz WFBSFFITAMBSKH-JXFKEZNVSA-N 1 2 359.470 2.831 20 30 FFEDLO CC[C@@]1(C)C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CCO1 ZINC000135646344 508637248 /nfs/dbraw/zinc/63/72/48/508637248.db2.gz WFBSFFITAMBSKH-JXFKEZNVSA-N 1 2 359.470 2.831 20 30 FFEDLO C=CCNc1ncc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)s1 ZINC000136078547 508669156 /nfs/dbraw/zinc/66/91/56/508669156.db2.gz AKBIEQRVSLUJCE-UHFFFAOYSA-N 1 2 372.494 2.503 20 30 FFEDLO C=CCNc1ncc(C(=O)NC[C@@H](C(CC)CC)[NH+]2CCOCC2)s1 ZINC000136118206 508671701 /nfs/dbraw/zinc/67/17/01/508671701.db2.gz VLTPCUZCZSPBCG-HNNXBMFYSA-N 1 2 366.531 2.608 20 30 FFEDLO NC(=[NH+]OCc1nc(C2CC2)no1)c1cccc(OCc2cccnc2)c1 ZINC000123429367 508685975 /nfs/dbraw/zinc/68/59/75/508685975.db2.gz YXZANPPOEMBBBU-UHFFFAOYSA-N 1 2 365.393 2.758 20 30 FFEDLO O=C(C[N@H+](CC#Cc1cccc(Cl)c1)C[C@@H]1CCCO1)N1CCCC1 ZINC000154145147 508725037 /nfs/dbraw/zinc/72/50/37/508725037.db2.gz JJUVPCOICPMALF-IBGZPJMESA-N 1 2 360.885 2.795 20 30 FFEDLO O=C(C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@@H]1CCCO1)N1CCCC1 ZINC000154145147 508725042 /nfs/dbraw/zinc/72/50/42/508725042.db2.gz JJUVPCOICPMALF-IBGZPJMESA-N 1 2 360.885 2.795 20 30 FFEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000154308224 508756767 /nfs/dbraw/zinc/75/67/67/508756767.db2.gz KIAOLZROQXTWQR-CHWSQXEVSA-N 1 2 363.401 2.690 20 30 FFEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000154308224 508756769 /nfs/dbraw/zinc/75/67/69/508756769.db2.gz KIAOLZROQXTWQR-CHWSQXEVSA-N 1 2 363.401 2.690 20 30 FFEDLO N#Cc1cccc(OCC[N@H+]2CCOC[C@H]2CC(=O)c2ccccc2)c1 ZINC000119357559 508779566 /nfs/dbraw/zinc/77/95/66/508779566.db2.gz VRGJHYPPJNJFRQ-LJQANCHMSA-N 1 2 350.418 2.911 20 30 FFEDLO N#Cc1cccc(OCC[N@@H+]2CCOC[C@H]2CC(=O)c2ccccc2)c1 ZINC000119357559 508779570 /nfs/dbraw/zinc/77/95/70/508779570.db2.gz VRGJHYPPJNJFRQ-LJQANCHMSA-N 1 2 350.418 2.911 20 30 FFEDLO N#Cc1csc(C[NH+]2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000119401974 508788180 /nfs/dbraw/zinc/78/81/80/508788180.db2.gz RHWYMEYMJLTOTG-UHFFFAOYSA-N 1 2 358.442 2.515 20 30 FFEDLO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1sccc1C#N ZINC000119561221 508819232 /nfs/dbraw/zinc/81/92/32/508819232.db2.gz LYRIQYXESCDDHF-HNNXBMFYSA-N 1 2 354.479 2.560 20 30 FFEDLO C=CCCOCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000143634032 508833304 /nfs/dbraw/zinc/83/33/04/508833304.db2.gz SJTIFQXOZREAPD-UHFFFAOYSA-N 1 2 356.388 2.942 20 30 FFEDLO Cc1ccc(-c2ncc(CN(CCC#N)CC[NH+]3CCOCC3)s2)o1 ZINC000154796877 508858347 /nfs/dbraw/zinc/85/83/47/508858347.db2.gz STPDMOWIPFOQMB-UHFFFAOYSA-N 1 2 360.483 2.759 20 30 FFEDLO Cc1ccccc1CC(=O)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000155114396 508927033 /nfs/dbraw/zinc/92/70/33/508927033.db2.gz SLEIDYKHWCMEOB-UHFFFAOYSA-N 1 2 363.461 2.632 20 30 FFEDLO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(C#N)s1 ZINC000120298079 508967818 /nfs/dbraw/zinc/96/78/18/508967818.db2.gz HODGJIDPWRXMFT-UHFFFAOYSA-N 1 2 364.492 2.924 20 30 FFEDLO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(C#N)s1 ZINC000120298079 508967822 /nfs/dbraw/zinc/96/78/22/508967822.db2.gz HODGJIDPWRXMFT-UHFFFAOYSA-N 1 2 364.492 2.924 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)c1ccccc1C#N ZINC000120373918 508982927 /nfs/dbraw/zinc/98/29/27/508982927.db2.gz HBHUBPHZRYVNLH-UHFFFAOYSA-N 1 2 354.435 2.585 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000125523001 508994413 /nfs/dbraw/zinc/99/44/13/508994413.db2.gz UQSYVXVKTQKTFJ-KXBFYZLASA-N 1 2 368.485 2.652 20 30 FFEDLO COCCOCC[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000155463024 509006642 /nfs/dbraw/zinc/00/66/42/509006642.db2.gz UMLQLKLPBUCJLL-UHFFFAOYSA-N 1 2 373.478 2.723 20 30 FFEDLO COCCOCC[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000155463024 509006648 /nfs/dbraw/zinc/00/66/48/509006648.db2.gz UMLQLKLPBUCJLL-UHFFFAOYSA-N 1 2 373.478 2.723 20 30 FFEDLO COc1cc(C#N)ccc1C[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000120547450 509018270 /nfs/dbraw/zinc/01/82/70/509018270.db2.gz YZQWFIJHMKTUNP-UHFFFAOYSA-N 1 2 361.449 2.532 20 30 FFEDLO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000160875126 509042016 /nfs/dbraw/zinc/04/20/16/509042016.db2.gz XVCRKSRUEFCJDB-UHFFFAOYSA-N 1 2 374.448 2.547 20 30 FFEDLO C=C(C)COCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000132704142 509063959 /nfs/dbraw/zinc/06/39/59/509063959.db2.gz OKNACVOVPMGNMB-DLBZAZTESA-N 1 2 353.413 2.602 20 30 FFEDLO C=C(C)COCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000132704142 509063962 /nfs/dbraw/zinc/06/39/62/509063962.db2.gz OKNACVOVPMGNMB-DLBZAZTESA-N 1 2 353.413 2.602 20 30 FFEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CSCC#N ZINC000155748819 509064152 /nfs/dbraw/zinc/06/41/52/509064152.db2.gz GWLUANMZMROPIO-YJBOKZPZSA-N 1 2 360.527 2.706 20 30 FFEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CSCC#N ZINC000155748819 509064154 /nfs/dbraw/zinc/06/41/54/509064154.db2.gz GWLUANMZMROPIO-YJBOKZPZSA-N 1 2 360.527 2.706 20 30 FFEDLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(C#N)o1 ZINC000161124201 509075093 /nfs/dbraw/zinc/07/50/93/509075093.db2.gz IGJSVMVXVDGFIA-KRWDZBQOSA-N 1 2 370.405 2.831 20 30 FFEDLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000161124201 509075098 /nfs/dbraw/zinc/07/50/98/509075098.db2.gz IGJSVMVXVDGFIA-KRWDZBQOSA-N 1 2 370.405 2.831 20 30 FFEDLO CC(C)[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1nc(-c2nc[nH]n2)no1 ZINC000120862055 509078496 /nfs/dbraw/zinc/07/84/96/509078496.db2.gz QHOWGMJECQIVSF-AWEZNQCLSA-N 1 2 356.817 2.847 20 30 FFEDLO Cc1ccc(Cl)c(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000120903434 509086834 /nfs/dbraw/zinc/08/68/34/509086834.db2.gz DPWQOOILKFQAMH-UHFFFAOYSA-N 1 2 350.850 2.728 20 30 FFEDLO C=CCNC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000126699738 509115189 /nfs/dbraw/zinc/11/51/89/509115189.db2.gz YUDRWYAYIGCOGS-UHFFFAOYSA-N 1 2 359.842 2.863 20 30 FFEDLO CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000133163033 509125891 /nfs/dbraw/zinc/12/58/91/509125891.db2.gz WQSWYTDAURPGOE-UHFFFAOYSA-N 1 2 367.453 2.814 20 30 FFEDLO COc1cc(C#N)ccc1C[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000121300211 509164543 /nfs/dbraw/zinc/16/45/43/509164543.db2.gz WFZNYPGVWMAKFN-UHFFFAOYSA-N 1 2 356.470 2.727 20 30 FFEDLO N#C[C@H](NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1)C1CC1 ZINC000182410398 509224030 /nfs/dbraw/zinc/22/40/30/509224030.db2.gz CHCWTRFUTQMZJX-INIZCTEOSA-N 1 2 350.422 2.575 20 30 FFEDLO C=CCCOCCNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000179023487 509228747 /nfs/dbraw/zinc/22/87/47/509228747.db2.gz WSPQZQXBFUTMQP-KRWDZBQOSA-N 1 2 361.486 2.676 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000175970556 509245552 /nfs/dbraw/zinc/24/55/52/509245552.db2.gz LRAMGSJTZVPUFB-CYBMUJFWSA-N 1 2 355.891 2.579 20 30 FFEDLO C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000216381062 509259968 /nfs/dbraw/zinc/25/99/68/509259968.db2.gz GMQWWZQATCSINJ-RXVVDRJESA-N 1 2 368.525 2.954 20 30 FFEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248594325 509381362 /nfs/dbraw/zinc/38/13/62/509381362.db2.gz SHEXTEHQBZZSKQ-XYPHTWIQSA-N 1 2 369.868 2.851 20 30 FFEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248594325 509381365 /nfs/dbraw/zinc/38/13/65/509381365.db2.gz SHEXTEHQBZZSKQ-XYPHTWIQSA-N 1 2 369.868 2.851 20 30 FFEDLO N#Cc1ccsc1NC(=O)CCN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000163970800 509447901 /nfs/dbraw/zinc/44/79/01/509447901.db2.gz LQVDFNHIQOVEMM-UHFFFAOYSA-N 1 2 372.469 2.905 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000164086077 509462926 /nfs/dbraw/zinc/46/29/26/509462926.db2.gz GRBQJOAWIBMWNH-KRWDZBQOSA-N 1 2 358.388 2.829 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000164086077 509462931 /nfs/dbraw/zinc/46/29/31/509462931.db2.gz GRBQJOAWIBMWNH-KRWDZBQOSA-N 1 2 358.388 2.829 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000164253012 509481767 /nfs/dbraw/zinc/48/17/67/509481767.db2.gz KPHRULSXDKCREP-UNMCSNQZSA-N 1 2 369.461 2.934 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000164253012 509481769 /nfs/dbraw/zinc/48/17/69/509481769.db2.gz KPHRULSXDKCREP-UNMCSNQZSA-N 1 2 369.461 2.934 20 30 FFEDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cnc2ccc(C#N)cn12 ZINC000179574837 509520525 /nfs/dbraw/zinc/52/05/25/509520525.db2.gz IQTNCZGZDWWECJ-UHFFFAOYSA-N 1 2 369.375 2.945 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1cnc2ccc(C#N)cn12 ZINC000179574837 509520528 /nfs/dbraw/zinc/52/05/28/509520528.db2.gz IQTNCZGZDWWECJ-UHFFFAOYSA-N 1 2 369.375 2.945 20 30 FFEDLO CCN(CC(=O)Nc1c(F)cccc1F)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000179574837 509520530 /nfs/dbraw/zinc/52/05/30/509520530.db2.gz IQTNCZGZDWWECJ-UHFFFAOYSA-N 1 2 369.375 2.945 20 30 FFEDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(C#N)cc1OC ZINC000179653143 509556112 /nfs/dbraw/zinc/55/61/12/509556112.db2.gz UTXCXMJMCIPNCU-UHFFFAOYSA-N 1 2 355.413 2.844 20 30 FFEDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(C#N)cc1OC ZINC000179653143 509556119 /nfs/dbraw/zinc/55/61/19/509556119.db2.gz UTXCXMJMCIPNCU-UHFFFAOYSA-N 1 2 355.413 2.844 20 30 FFEDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)CC2(C#N)CC2)cc1 ZINC000166241902 509599925 /nfs/dbraw/zinc/59/99/25/509599925.db2.gz RYMZYZGYZJSPLB-UHFFFAOYSA-N 1 2 357.435 2.730 20 30 FFEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000267781580 509611881 /nfs/dbraw/zinc/61/18/81/509611881.db2.gz HZCGKXJTTQBZMY-FQEVSTJZSA-N 1 2 373.460 2.898 20 30 FFEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000267781580 509611891 /nfs/dbraw/zinc/61/18/91/509611891.db2.gz HZCGKXJTTQBZMY-FQEVSTJZSA-N 1 2 373.460 2.898 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000186280949 509620109 /nfs/dbraw/zinc/62/01/09/509620109.db2.gz OPJRLEHXUPRSHR-SFHVURJKSA-N 1 2 354.498 2.639 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000186280949 509620115 /nfs/dbraw/zinc/62/01/15/509620115.db2.gz OPJRLEHXUPRSHR-SFHVURJKSA-N 1 2 354.498 2.639 20 30 FFEDLO C[C@H](C(=O)NC1CCCC1)N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186287018 509623207 /nfs/dbraw/zinc/62/32/07/509623207.db2.gz IESBMQYDLHDEER-IAGOWNOFSA-N 1 2 354.498 2.684 20 30 FFEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186287018 509623214 /nfs/dbraw/zinc/62/32/14/509623214.db2.gz IESBMQYDLHDEER-IAGOWNOFSA-N 1 2 354.498 2.684 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccnc(C#N)c2)C[C@H](C)O1 ZINC000192763339 509633698 /nfs/dbraw/zinc/63/36/98/509633698.db2.gz OKULDVYNPQCKCZ-GASCZTMLSA-N 1 2 350.422 2.815 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccnc(C#N)c2)C[C@H](C)O1 ZINC000192763339 509633704 /nfs/dbraw/zinc/63/37/04/509633704.db2.gz OKULDVYNPQCKCZ-GASCZTMLSA-N 1 2 350.422 2.815 20 30 FFEDLO COCC[N@H+](Cc1cccnc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192802616 509650690 /nfs/dbraw/zinc/65/06/90/509650690.db2.gz WYSCZWPOAVEEDM-FQEVSTJZSA-N 1 2 364.449 2.597 20 30 FFEDLO COCC[N@@H+](Cc1cccnc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192802616 509650698 /nfs/dbraw/zinc/65/06/98/509650698.db2.gz WYSCZWPOAVEEDM-FQEVSTJZSA-N 1 2 364.449 2.597 20 30 FFEDLO C=CCc1cc(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)cc(OC)c1O ZINC000267908801 509666118 /nfs/dbraw/zinc/66/61/18/509666118.db2.gz CJZINZJFBMVJOO-INIZCTEOSA-N 1 2 359.447 2.748 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000179912505 509671714 /nfs/dbraw/zinc/67/17/14/509671714.db2.gz ZAPULXBUVVINKZ-UHFFFAOYSA-N 1 2 364.449 2.805 20 30 FFEDLO COc1cc2c(c(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)c1)O[C@H](C)C2 ZINC000179985803 509699726 /nfs/dbraw/zinc/69/97/26/509699726.db2.gz WWQXTMQPRKZDCA-OAHLLOKOSA-N 1 2 364.449 2.607 20 30 FFEDLO N#Cc1ccc(OCCNC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000173801371 509787046 /nfs/dbraw/zinc/78/70/46/509787046.db2.gz OKWWVPOTQDWULB-UHFFFAOYSA-N 1 2 353.426 2.524 20 30 FFEDLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000186686376 509852447 /nfs/dbraw/zinc/85/24/47/509852447.db2.gz IVGZHWSSMGWRPL-MRXNPFEDSA-N 1 2 355.891 2.505 20 30 FFEDLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000186686376 509852452 /nfs/dbraw/zinc/85/24/52/509852452.db2.gz IVGZHWSSMGWRPL-MRXNPFEDSA-N 1 2 355.891 2.505 20 30 FFEDLO CCc1oc(C(=O)OC)cc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000177096044 509869930 /nfs/dbraw/zinc/86/99/30/509869930.db2.gz LKVGHBJGVFPLNE-UHFFFAOYSA-N 1 2 353.422 2.822 20 30 FFEDLO N#Cc1cccnc1-n1cc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000183693285 509930619 /nfs/dbraw/zinc/93/06/19/509930619.db2.gz ZUTYUPYOJJKDLB-UHFFFAOYSA-N 1 2 355.361 2.577 20 30 FFEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000268453977 509938820 /nfs/dbraw/zinc/93/88/20/509938820.db2.gz JGBALCNKZVEYQE-RISCZKNCSA-N 1 2 372.860 2.845 20 30 FFEDLO Cc1nnc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000268453977 509938825 /nfs/dbraw/zinc/93/88/25/509938825.db2.gz JGBALCNKZVEYQE-RISCZKNCSA-N 1 2 372.860 2.845 20 30 FFEDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000268453977 509938834 /nfs/dbraw/zinc/93/88/34/509938834.db2.gz JGBALCNKZVEYQE-RISCZKNCSA-N 1 2 372.860 2.845 20 30 FFEDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000268453977 509938843 /nfs/dbraw/zinc/93/88/43/509938843.db2.gz JGBALCNKZVEYQE-RISCZKNCSA-N 1 2 372.860 2.845 20 30 FFEDLO Cc1nc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n[nH]1 ZINC000268453977 509938849 /nfs/dbraw/zinc/93/88/49/509938849.db2.gz JGBALCNKZVEYQE-RISCZKNCSA-N 1 2 372.860 2.845 20 30 FFEDLO Cc1nc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n[nH]1 ZINC000268453977 509938859 /nfs/dbraw/zinc/93/88/59/509938859.db2.gz JGBALCNKZVEYQE-RISCZKNCSA-N 1 2 372.860 2.845 20 30 FFEDLO CN(C)c1[nH+]cccc1CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000171231074 510022757 /nfs/dbraw/zinc/02/27/57/510022757.db2.gz LWNBKSPVPJCNDL-UHFFFAOYSA-N 1 2 361.352 2.942 20 30 FFEDLO CN1CC[NH+](Cc2cccc(NC(=O)c3cccc(F)c3C#N)c2)CC1 ZINC000187102268 510056684 /nfs/dbraw/zinc/05/66/84/510056684.db2.gz OPLXKJWMKLPVLI-UHFFFAOYSA-N 1 2 352.413 2.697 20 30 FFEDLO N#Cc1ccc(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000171484164 510188354 /nfs/dbraw/zinc/18/83/54/510188354.db2.gz FPSIBRZJADWSFX-UHFFFAOYSA-N 1 2 353.401 2.561 20 30 FFEDLO Cc1[nH+]c2cc(C)ccn2c1CN1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000194045426 510189264 /nfs/dbraw/zinc/18/92/64/510189264.db2.gz ZREOZSVMTFAHNK-UHFFFAOYSA-N 1 2 373.460 2.781 20 30 FFEDLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000194045426 510189272 /nfs/dbraw/zinc/18/92/72/510189272.db2.gz ZREOZSVMTFAHNK-UHFFFAOYSA-N 1 2 373.460 2.781 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177715715 510213999 /nfs/dbraw/zinc/21/39/99/510213999.db2.gz NJPSALUGRDYLBH-AWEZNQCLSA-N 1 2 353.422 2.705 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177715715 510214004 /nfs/dbraw/zinc/21/40/04/510214004.db2.gz NJPSALUGRDYLBH-AWEZNQCLSA-N 1 2 353.422 2.705 20 30 FFEDLO CCC(CC)CN(CCC#N)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000171568321 510230742 /nfs/dbraw/zinc/23/07/42/510230742.db2.gz HHXFCVPJLIEDDV-UHFFFAOYSA-N 1 2 359.518 2.811 20 30 FFEDLO C=CCNC(=O)C[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000181128466 510282800 /nfs/dbraw/zinc/28/28/00/510282800.db2.gz CNYPNZKKXUHYIE-UHFFFAOYSA-N 1 2 351.859 2.767 20 30 FFEDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000171654962 510285851 /nfs/dbraw/zinc/28/58/51/510285851.db2.gz YJBVRYSAUUNFNW-LBPRGKRZSA-N 1 2 357.483 2.691 20 30 FFEDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000171654962 510285856 /nfs/dbraw/zinc/28/58/56/510285856.db2.gz YJBVRYSAUUNFNW-LBPRGKRZSA-N 1 2 357.483 2.691 20 30 FFEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000177993075 510363486 /nfs/dbraw/zinc/36/34/86/510363486.db2.gz XNXUWUUWHVYTFR-LJQANCHMSA-N 1 2 369.852 2.703 20 30 FFEDLO Cn1cc([C@@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)c2ccc(F)cc2)cn1 ZINC000184590699 510404890 /nfs/dbraw/zinc/40/48/90/510404890.db2.gz GSXHWYKYJGVUDK-FQEVSTJZSA-N 1 2 363.396 2.749 20 30 FFEDLO CC1(C)C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC2(CCCC2)O1 ZINC000190984392 510449670 /nfs/dbraw/zinc/44/96/70/510449670.db2.gz XSGIPRNNQZBAMX-UHFFFAOYSA-N 1 2 362.495 2.756 20 30 FFEDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC2(CCCC2)O1 ZINC000190984392 510449681 /nfs/dbraw/zinc/44/96/81/510449681.db2.gz XSGIPRNNQZBAMX-UHFFFAOYSA-N 1 2 362.495 2.756 20 30 FFEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cs1 ZINC000178145223 510455934 /nfs/dbraw/zinc/45/59/34/510455934.db2.gz NDTPSELASAFRBW-QWRGUYRKSA-N 1 2 364.446 2.688 20 30 FFEDLO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000269549313 510458255 /nfs/dbraw/zinc/45/82/55/510458255.db2.gz XXRFXVVLSWYWDH-CZUORRHYSA-N 1 2 374.485 2.723 20 30 FFEDLO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000269549313 510458264 /nfs/dbraw/zinc/45/82/64/510458264.db2.gz XXRFXVVLSWYWDH-CZUORRHYSA-N 1 2 374.485 2.723 20 30 FFEDLO C[C@H](N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1)C(F)(F)F ZINC000178248719 510508838 /nfs/dbraw/zinc/50/88/38/510508838.db2.gz IEIKCOIWMBBXGS-NSHDSACASA-N 1 2 360.405 2.517 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000246592465 510573480 /nfs/dbraw/zinc/57/34/80/510573480.db2.gz JQRMXSRJHHBIPT-YOUFYPILSA-N 1 2 368.525 2.762 20 30 FFEDLO CN(C(=O)C[N@H+](C)Cc1ccc([S@](C)=O)cc1)C1(C#N)CCCCC1 ZINC000178416037 510593274 /nfs/dbraw/zinc/59/32/74/510593274.db2.gz ITMCTJWAIMWTOG-VWLOTQADSA-N 1 2 361.511 2.541 20 30 FFEDLO CN(C(=O)C[N@@H+](C)Cc1ccc([S@](C)=O)cc1)C1(C#N)CCCCC1 ZINC000178416037 510593284 /nfs/dbraw/zinc/59/32/84/510593284.db2.gz ITMCTJWAIMWTOG-VWLOTQADSA-N 1 2 361.511 2.541 20 30 FFEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000175383070 510618480 /nfs/dbraw/zinc/61/84/80/510618480.db2.gz MBRGCKJMSWTXAF-SGANQWHYSA-N 1 2 361.511 2.759 20 30 FFEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000175383070 510618486 /nfs/dbraw/zinc/61/84/86/510618486.db2.gz MBRGCKJMSWTXAF-SGANQWHYSA-N 1 2 361.511 2.759 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191375889 510629930 /nfs/dbraw/zinc/62/99/30/510629930.db2.gz IDKHRENNGFYZGR-GOSISDBHSA-N 1 2 352.438 2.817 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191375889 510629934 /nfs/dbraw/zinc/62/99/34/510629934.db2.gz IDKHRENNGFYZGR-GOSISDBHSA-N 1 2 352.438 2.817 20 30 FFEDLO CCN(CC)c1ccc(CNC(=O)NCc2cc(C#N)ccc2F)c[nH+]1 ZINC000175418656 510637516 /nfs/dbraw/zinc/63/75/16/510637516.db2.gz YMJKMUJCUPQSJQ-UHFFFAOYSA-N 1 2 355.417 2.938 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000188226808 510657143 /nfs/dbraw/zinc/65/71/43/510657143.db2.gz PJEHIHYMRKFOMF-PZJWPPBQSA-N 1 2 360.498 2.713 20 30 FFEDLO C[N@H+](CCc1cccs1)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000266650795 510709843 /nfs/dbraw/zinc/70/98/43/510709843.db2.gz YLAGGRVUBIBHDJ-OAHLLOKOSA-N 1 2 366.446 2.748 20 30 FFEDLO C[N@@H+](CCc1cccs1)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000266650795 510709851 /nfs/dbraw/zinc/70/98/51/510709851.db2.gz YLAGGRVUBIBHDJ-OAHLLOKOSA-N 1 2 366.446 2.748 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cnn(Cc4ccccc4)c3)CC2)c1 ZINC000270249883 510734404 /nfs/dbraw/zinc/73/44/04/510734404.db2.gz ISRSHWYBFXBZHV-UHFFFAOYSA-N 1 2 358.449 2.520 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(c3ccncc3)CC2)c1 ZINC000191660768 510777051 /nfs/dbraw/zinc/77/70/51/510777051.db2.gz PHFSFHLHMSLEFC-UHFFFAOYSA-N 1 2 355.463 2.607 20 30 FFEDLO N#Cc1ccc(CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C2CC2)cc1 ZINC000178893236 510825462 /nfs/dbraw/zinc/82/54/62/510825462.db2.gz RBALPVHWSADMEB-SFHVURJKSA-N 1 2 361.449 2.906 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c(F)c1 ZINC000182310295 510848116 /nfs/dbraw/zinc/84/81/16/510848116.db2.gz LXXWPAVDFRMTTC-QGZVFWFLSA-N 1 2 365.474 2.524 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c(F)c1 ZINC000182310295 510848119 /nfs/dbraw/zinc/84/81/19/510848119.db2.gz LXXWPAVDFRMTTC-QGZVFWFLSA-N 1 2 365.474 2.524 20 30 FFEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@@H](C)O1 ZINC000247364032 510858563 /nfs/dbraw/zinc/85/85/63/510858563.db2.gz AXRBYPVDICBZCF-BRWVUGGUSA-N 1 2 359.470 2.830 20 30 FFEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@@H](C)O1 ZINC000247364032 510858564 /nfs/dbraw/zinc/85/85/64/510858564.db2.gz AXRBYPVDICBZCF-BRWVUGGUSA-N 1 2 359.470 2.830 20 30 FFEDLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000329903460 510874066 /nfs/dbraw/zinc/87/40/66/510874066.db2.gz IJIPUDAIOMSFCT-UMHPPVOVSA-N 1 2 360.454 2.671 20 30 FFEDLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000329903460 510874071 /nfs/dbraw/zinc/87/40/71/510874071.db2.gz IJIPUDAIOMSFCT-UMHPPVOVSA-N 1 2 360.454 2.671 20 30 FFEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000329914122 510875554 /nfs/dbraw/zinc/87/55/54/510875554.db2.gz PBAMYAVPEHKUSC-QAPCUYQASA-N 1 2 355.486 2.948 20 30 FFEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000329914122 510875560 /nfs/dbraw/zinc/87/55/60/510875560.db2.gz PBAMYAVPEHKUSC-QAPCUYQASA-N 1 2 355.486 2.948 20 30 FFEDLO [O-]C(NC[C@@H]1SCCc2ccccc21)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329919587 510876941 /nfs/dbraw/zinc/87/69/41/510876941.db2.gz RTFZOPHLXFWESO-YOEHRIQHSA-N 1 2 356.495 2.980 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000285391069 510888324 /nfs/dbraw/zinc/88/83/24/510888324.db2.gz SLNWLOJZOHYMBJ-WIYYLYMNSA-N 1 2 371.481 2.512 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000285391069 510888328 /nfs/dbraw/zinc/88/83/28/510888328.db2.gz SLNWLOJZOHYMBJ-WIYYLYMNSA-N 1 2 371.481 2.512 20 30 FFEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)NCC1(C)CCCC1 ZINC000329968933 510890038 /nfs/dbraw/zinc/89/00/38/510890038.db2.gz WZGHGMCIYJIABD-IRXDYDNUSA-N 1 2 365.497 2.759 20 30 FFEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)NCC1(C)CCCC1 ZINC000329968933 510890045 /nfs/dbraw/zinc/89/00/45/510890045.db2.gz WZGHGMCIYJIABD-IRXDYDNUSA-N 1 2 365.497 2.759 20 30 FFEDLO CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000329976321 510891175 /nfs/dbraw/zinc/89/11/75/510891175.db2.gz FIGOXEIENFZSCX-OFQRWUPVSA-N 1 2 353.463 2.628 20 30 FFEDLO CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000329976321 510891183 /nfs/dbraw/zinc/89/11/83/510891183.db2.gz FIGOXEIENFZSCX-OFQRWUPVSA-N 1 2 353.463 2.628 20 30 FFEDLO Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000329989772 510894944 /nfs/dbraw/zinc/89/49/44/510894944.db2.gz IJXNMZTZRFJLTF-PKOBYXMFSA-N 1 2 369.513 2.871 20 30 FFEDLO O=C(Nc1cnc2c(c1)CCCC2)N1CC[NH+](Cc2ccccn2)CC1 ZINC000330027400 510902764 /nfs/dbraw/zinc/90/27/64/510902764.db2.gz NAVPGJCVFFNVPS-UHFFFAOYSA-N 1 2 351.454 2.719 20 30 FFEDLO C[C@H](C(=O)NCCc1cccs1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330121759 510921153 /nfs/dbraw/zinc/92/11/53/510921153.db2.gz JVYCIRRHKYMCPU-IIDMSEBBSA-N 1 2 352.500 2.906 20 30 FFEDLO C[C@H](C(=O)NCCc1cccs1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330121759 510921160 /nfs/dbraw/zinc/92/11/60/510921160.db2.gz JVYCIRRHKYMCPU-IIDMSEBBSA-N 1 2 352.500 2.906 20 30 FFEDLO CC1(C)C[N@H+](CCNC(=O)NC[C@H]2SCCc3ccccc32)CCO1 ZINC000330201280 510936712 /nfs/dbraw/zinc/93/67/12/510936712.db2.gz XNURBBWGBKLFRP-QGZVFWFLSA-N 1 2 363.527 2.631 20 30 FFEDLO CC1(C)C[N@@H+](CCNC(=O)NC[C@H]2SCCc3ccccc32)CCO1 ZINC000330201280 510936714 /nfs/dbraw/zinc/93/67/14/510936714.db2.gz XNURBBWGBKLFRP-QGZVFWFLSA-N 1 2 363.527 2.631 20 30 FFEDLO C=CCCN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000276401575 510937009 /nfs/dbraw/zinc/93/70/09/510937009.db2.gz OJPPHTXDAQJQRQ-QGZVFWFLSA-N 1 2 358.442 2.744 20 30 FFEDLO O=C(N[C@@H]1CCOC2(CCC2)C1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000330214831 510939028 /nfs/dbraw/zinc/93/90/28/510939028.db2.gz GMYUYERCNKHZRE-OAHLLOKOSA-N 1 2 364.515 2.667 20 30 FFEDLO O=C(N[C@@H]1CCOC2(CCC2)C1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000330214831 510939032 /nfs/dbraw/zinc/93/90/32/510939032.db2.gz GMYUYERCNKHZRE-OAHLLOKOSA-N 1 2 364.515 2.667 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N=c2ccn(CCC#N)[nH]2)c1 ZINC000364566507 510943794 /nfs/dbraw/zinc/94/37/94/510943794.db2.gz WZTCXKFGDUANLK-GOSISDBHSA-N 1 2 351.454 2.520 20 30 FFEDLO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N=c2ccn(CCC#N)[nH]2)c1 ZINC000364566507 510943800 /nfs/dbraw/zinc/94/38/00/510943800.db2.gz WZTCXKFGDUANLK-GOSISDBHSA-N 1 2 351.454 2.520 20 30 FFEDLO Cc1ccccc1[C@@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)[C@H](C)CO1 ZINC000330277809 510955210 /nfs/dbraw/zinc/95/52/10/510955210.db2.gz OVCTUGCIGBGIQJ-NUJGCVRESA-N 1 2 354.454 2.882 20 30 FFEDLO CC(C)c1nnc(CN2CC[NH+](CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)[nH]1 ZINC000330326975 510964296 /nfs/dbraw/zinc/96/42/96/510964296.db2.gz VHCAWQZUEBLBID-HZPDHXFCSA-N 1 2 362.522 2.581 20 30 FFEDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000330813689 511018234 /nfs/dbraw/zinc/01/82/34/511018234.db2.gz LHRIUDWDLOTOTE-UHFFFAOYSA-N 1 2 366.893 2.680 20 30 FFEDLO CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330997274 511035247 /nfs/dbraw/zinc/03/52/47/511035247.db2.gz VIMYVROWKAWVKR-GFCCVEGCSA-N 1 2 366.531 2.830 20 30 FFEDLO CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330997274 511035253 /nfs/dbraw/zinc/03/52/53/511035253.db2.gz VIMYVROWKAWVKR-GFCCVEGCSA-N 1 2 366.531 2.830 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000331327948 511061706 /nfs/dbraw/zinc/06/17/06/511061706.db2.gz GEHVHTKMKBUZMO-KUHUBIRLSA-N 1 2 362.449 2.507 20 30 FFEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000271282914 511147893 /nfs/dbraw/zinc/14/78/93/511147893.db2.gz PSEMZENLIKZHDY-AWEZNQCLSA-N 1 2 367.501 2.627 20 30 FFEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000271282914 511147900 /nfs/dbraw/zinc/14/79/00/511147900.db2.gz PSEMZENLIKZHDY-AWEZNQCLSA-N 1 2 367.501 2.627 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2ccncn2)CC1 ZINC000298042993 511155479 /nfs/dbraw/zinc/15/54/79/511155479.db2.gz DJAVIKXTJFOVLX-UHFFFAOYSA-N 1 2 355.829 2.820 20 30 FFEDLO N#CC1CCC(CNC(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000333029049 511179222 /nfs/dbraw/zinc/17/92/22/511179222.db2.gz GYFPGPMSNOHOAY-UHFFFAOYSA-N 1 2 370.497 2.723 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000271386866 511186592 /nfs/dbraw/zinc/18/65/92/511186592.db2.gz SYCWZPVAAULQDH-KRWDZBQOSA-N 1 2 353.466 2.992 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)CCC(=O)Nc2ccc(C(C)=O)cc2)n1 ZINC000279745376 511198751 /nfs/dbraw/zinc/19/87/51/511198751.db2.gz PKQZVHQBMMRREA-UHFFFAOYSA-N 1 2 352.438 2.570 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)CCC(=O)Nc2ccc(C(C)=O)cc2)n1 ZINC000279745376 511198755 /nfs/dbraw/zinc/19/87/55/511198755.db2.gz PKQZVHQBMMRREA-UHFFFAOYSA-N 1 2 352.438 2.570 20 30 FFEDLO CC(C)(C#N)CCN1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000365014820 511207041 /nfs/dbraw/zinc/20/70/41/511207041.db2.gz FNWUAFAOPLJQPJ-FQEVSTJZSA-N 1 2 368.525 2.735 20 30 FFEDLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)C[C@@H](C)C#N ZINC000294989460 511245686 /nfs/dbraw/zinc/24/56/86/511245686.db2.gz XZFMMXHPSJRSBO-RYUDHWBXSA-N 1 2 368.275 2.554 20 30 FFEDLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+](C)C[C@@H](C)C#N ZINC000294989460 511245693 /nfs/dbraw/zinc/24/56/93/511245693.db2.gz XZFMMXHPSJRSBO-RYUDHWBXSA-N 1 2 368.275 2.554 20 30 FFEDLO CC[C@@H](CSC)[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000271585456 511254742 /nfs/dbraw/zinc/25/47/42/511254742.db2.gz QQBMMIZDNGYPJG-GXTWGEPZSA-N 1 2 358.467 2.585 20 30 FFEDLO CC[C@@H](CSC)[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000271585456 511254747 /nfs/dbraw/zinc/25/47/47/511254747.db2.gz QQBMMIZDNGYPJG-GXTWGEPZSA-N 1 2 358.467 2.585 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000279998260 511296284 /nfs/dbraw/zinc/29/62/84/511296284.db2.gz WJHAFSSMQNKNNC-BVPBIZIASA-N 1 2 350.409 2.807 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000279998260 511296289 /nfs/dbraw/zinc/29/62/89/511296289.db2.gz WJHAFSSMQNKNNC-BVPBIZIASA-N 1 2 350.409 2.807 20 30 FFEDLO Cn1c2ccc(CNS(=O)(=O)CC(C)(C)CC#N)cc2[nH+]c1C1CC1 ZINC000295148957 511299375 /nfs/dbraw/zinc/29/93/75/511299375.db2.gz ABAWFMZBJSWBGE-UHFFFAOYSA-N 1 2 360.483 2.810 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1(C)C ZINC000295217638 511325051 /nfs/dbraw/zinc/32/50/51/511325051.db2.gz HDFTXUIVPXUZIW-AWEZNQCLSA-N 1 2 364.858 2.717 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c2ccccc21 ZINC000291756919 511325177 /nfs/dbraw/zinc/32/51/77/511325177.db2.gz KYPGSJGWKAOETC-CQSZACIVSA-N 1 2 361.392 2.687 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c2ccccc21 ZINC000291756919 511325181 /nfs/dbraw/zinc/32/51/81/511325181.db2.gz KYPGSJGWKAOETC-CQSZACIVSA-N 1 2 361.392 2.687 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CCCN(c3ccccc3)CC2)c(C#N)c1C ZINC000298799089 511415055 /nfs/dbraw/zinc/41/50/55/511415055.db2.gz TXIIKIMRALAJQE-UHFFFAOYSA-N 1 2 352.438 2.919 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CCCN(c3ccccc3)CC2)c(C#N)c1C ZINC000298799089 511415059 /nfs/dbraw/zinc/41/50/59/511415059.db2.gz TXIIKIMRALAJQE-UHFFFAOYSA-N 1 2 352.438 2.919 20 30 FFEDLO N#Cc1ccc(CS(=O)(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000298852288 511430253 /nfs/dbraw/zinc/43/02/53/511430253.db2.gz MVBAJZPAHGHQGF-UHFFFAOYSA-N 1 2 370.478 2.563 20 30 FFEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000272342383 511490187 /nfs/dbraw/zinc/49/01/87/511490187.db2.gz YZMDCBHZGBICAU-UHFFFAOYSA-N 1 2 355.438 2.651 20 30 FFEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000272342383 511490191 /nfs/dbraw/zinc/49/01/91/511490191.db2.gz YZMDCBHZGBICAU-UHFFFAOYSA-N 1 2 355.438 2.651 20 30 FFEDLO C=C(C)CS(=O)(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000280541786 511503750 /nfs/dbraw/zinc/50/37/50/511503750.db2.gz IBYYSEIGQIPBSW-UHFFFAOYSA-N 1 2 357.479 2.640 20 30 FFEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000273356373 511523321 /nfs/dbraw/zinc/52/33/21/511523321.db2.gz ZITRGIMRMTXAPX-ZDUSSCGKSA-N 1 2 359.405 2.597 20 30 FFEDLO C=CCCCNC(=O)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000280612682 511533467 /nfs/dbraw/zinc/53/34/67/511533467.db2.gz ZDKYXIBPOHBPTB-UHFFFAOYSA-N 1 2 372.494 2.796 20 30 FFEDLO C=CCCCNC(=O)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000280612682 511533470 /nfs/dbraw/zinc/53/34/70/511533470.db2.gz ZDKYXIBPOHBPTB-UHFFFAOYSA-N 1 2 372.494 2.796 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](N4CCCCC4=O)C3)o2)cc1 ZINC000363573910 511637252 /nfs/dbraw/zinc/63/72/52/511637252.db2.gz YBGLKEHOOGKWOT-QGZVFWFLSA-N 1 2 365.437 2.585 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](N4CCCCC4=O)C3)o2)cc1 ZINC000363573910 511637258 /nfs/dbraw/zinc/63/72/58/511637258.db2.gz YBGLKEHOOGKWOT-QGZVFWFLSA-N 1 2 365.437 2.585 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000280934383 511657365 /nfs/dbraw/zinc/65/73/65/511657365.db2.gz FRNVSIPYRQIQLS-QFBILLFUSA-N 1 2 359.470 2.622 20 30 FFEDLO CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000303086975 511726507 /nfs/dbraw/zinc/72/65/07/511726507.db2.gz BTQLOWGXAHWSHY-INIZCTEOSA-N 1 2 360.477 2.712 20 30 FFEDLO C=CCC1(c2nc(-c3ccc(C(=O)N4CC[NH+](C)CC4)nc3)no2)CCC1 ZINC000350158354 511732570 /nfs/dbraw/zinc/73/25/70/511732570.db2.gz OPIXOPOIFLKKIQ-UHFFFAOYSA-N 1 2 367.453 2.517 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)ccc1OC ZINC000292891714 511761763 /nfs/dbraw/zinc/76/17/63/511761763.db2.gz ZAWWIMWPBIYJQX-MRXNPFEDSA-N 1 2 353.484 2.517 20 30 FFEDLO C=C(C)COc1cc(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)ccc1OC ZINC000292891714 511761766 /nfs/dbraw/zinc/76/17/66/511761766.db2.gz ZAWWIMWPBIYJQX-MRXNPFEDSA-N 1 2 353.484 2.517 20 30 FFEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000284657268 511812350 /nfs/dbraw/zinc/81/23/50/511812350.db2.gz KKEJAERSDVPBFH-MRXNPFEDSA-N 1 2 374.872 2.704 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000281528632 511879970 /nfs/dbraw/zinc/87/99/70/511879970.db2.gz LJEWLAUQASTPEA-XLIONFOSSA-N 1 2 373.497 2.504 20 30 FFEDLO CC1(C)CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000328601413 511890639 /nfs/dbraw/zinc/89/06/39/511890639.db2.gz FLFURANTYIIKQF-OLPIVMHESA-N 1 2 358.486 2.782 20 30 FFEDLO CC1(C)CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000328601413 511890643 /nfs/dbraw/zinc/89/06/43/511890643.db2.gz FLFURANTYIIKQF-OLPIVMHESA-N 1 2 358.486 2.782 20 30 FFEDLO CC(C)(C(=O)N1CCC(NC(=O)CC2CCCC2)CC1)[NH+]1CCOCC1 ZINC000328675683 511914025 /nfs/dbraw/zinc/91/40/25/511914025.db2.gz KVSSMSVEYNNQGC-UHFFFAOYSA-N 1 2 365.518 2.625 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000281675461 511928509 /nfs/dbraw/zinc/92/85/09/511928509.db2.gz OHGGAIVVRFVLDY-HNNXBMFYSA-N 1 2 362.430 2.830 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1coc(C2CCOCC2)n1 ZINC000328768015 511928921 /nfs/dbraw/zinc/92/89/21/511928921.db2.gz BNUSQUFOUHARCC-UHFFFAOYSA-N 1 2 372.425 2.745 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CC(C)(C)OC1(C)C)C1CCOCC1 ZINC000328975181 511959493 /nfs/dbraw/zinc/95/94/93/511959493.db2.gz COWZWYUTOQCNQV-HUUCEWRRSA-N 1 2 364.490 2.738 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CC(C)(C)OC1(C)C)C1CCOCC1 ZINC000328975182 511960200 /nfs/dbraw/zinc/96/02/00/511960200.db2.gz COWZWYUTOQCNQV-LSDHHAIUSA-N 1 2 364.490 2.738 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(-c2ccccc2)on1 ZINC000284996151 511961428 /nfs/dbraw/zinc/96/14/28/511961428.db2.gz LHOLTXSCTMJQTO-OAHLLOKOSA-N 1 2 360.421 2.714 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(-c2ccccc2)on1 ZINC000284996151 511961434 /nfs/dbraw/zinc/96/14/34/511961434.db2.gz LHOLTXSCTMJQTO-OAHLLOKOSA-N 1 2 360.421 2.714 20 30 FFEDLO O=C(C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1)Nc1nc2c(s1)CCC2 ZINC000329015674 511968326 /nfs/dbraw/zinc/96/83/26/511968326.db2.gz GEJPMOHYDGPTKX-NSHDSACASA-N 1 2 359.455 2.970 20 30 FFEDLO O=C(C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1)Nc1nc2c(s1)CCC2 ZINC000329015674 511968333 /nfs/dbraw/zinc/96/83/33/511968333.db2.gz GEJPMOHYDGPTKX-NSHDSACASA-N 1 2 359.455 2.970 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)COC2CCCC2)CCC(=O)N1C1CC1 ZINC000329058564 511974854 /nfs/dbraw/zinc/97/48/54/511974854.db2.gz MUERCQSJNLNDQQ-DNVCBOLYSA-N 1 2 360.458 2.530 20 30 FFEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C2)n1 ZINC000329067639 511977094 /nfs/dbraw/zinc/97/70/94/511977094.db2.gz XCVKCEPYEMQEHE-SNVBAGLBSA-N 1 2 366.324 2.777 20 30 FFEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C2)n1 ZINC000329067639 511977103 /nfs/dbraw/zinc/97/71/03/511977103.db2.gz XCVKCEPYEMQEHE-SNVBAGLBSA-N 1 2 366.324 2.777 20 30 FFEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000329078628 511979176 /nfs/dbraw/zinc/97/91/76/511979176.db2.gz QOVIIRRAFHMJKO-OALUTQOASA-N 1 2 374.916 2.779 20 30 FFEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000329078628 511979184 /nfs/dbraw/zinc/97/91/84/511979184.db2.gz QOVIIRRAFHMJKO-OALUTQOASA-N 1 2 374.916 2.779 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)NCCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000285072750 511989473 /nfs/dbraw/zinc/98/94/73/511989473.db2.gz MSTNODQFLJFZAE-UHFFFAOYSA-N 1 2 371.416 2.537 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)COc1ccc(C#N)cc1OC ZINC000281884780 512000223 /nfs/dbraw/zinc/00/02/23/512000223.db2.gz SJUWAMCNFDZUKY-MRXNPFEDSA-N 1 2 368.437 2.916 20 30 FFEDLO Cn1cc(C[NH+]2CCN(C(=O)Nc3nc4c(s3)CCCCC4)CC2)cn1 ZINC000329189636 512001751 /nfs/dbraw/zinc/00/17/51/512001751.db2.gz RNXAVAKWTYAWCZ-UHFFFAOYSA-N 1 2 374.514 2.509 20 30 FFEDLO CC(=O)N1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCC2)c2ccccc21 ZINC000329337716 512028898 /nfs/dbraw/zinc/02/88/98/512028898.db2.gz QABMCLDEFYXEOR-QGZVFWFLSA-N 1 2 357.454 2.696 20 30 FFEDLO Cc1nc([C@H]2CCCN2C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)no1 ZINC000329355965 512032976 /nfs/dbraw/zinc/03/29/76/512032976.db2.gz FRGIVXJAQICNIA-CYBMUJFWSA-N 1 2 360.805 2.930 20 30 FFEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ncc(C4CCCCC4)s3)C[C@H]21 ZINC000329476815 512054305 /nfs/dbraw/zinc/05/43/05/512054305.db2.gz UFPNSUFJVTYIGE-KGLIPLIRSA-N 1 2 350.488 2.751 20 30 FFEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ncc(C4CCCCC4)s3)C[C@H]21 ZINC000329476815 512054310 /nfs/dbraw/zinc/05/43/10/512054310.db2.gz UFPNSUFJVTYIGE-KGLIPLIRSA-N 1 2 350.488 2.751 20 30 FFEDLO O=C(N[C@H]1CC(=O)N(c2ccccc2Cl)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000329502147 512059328 /nfs/dbraw/zinc/05/93/28/512059328.db2.gz WCSADZISBJJZIL-STQMWFEESA-N 1 2 358.829 2.861 20 30 FFEDLO Cc1nc(-c2ccccc2)sc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329546212 512067441 /nfs/dbraw/zinc/06/74/41/512067441.db2.gz IBLVXGOBNZEVFJ-HUUCEWRRSA-N 1 2 358.467 2.679 20 30 FFEDLO Cc1nc(-c2ccccc2)sc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329546212 512067446 /nfs/dbraw/zinc/06/74/46/512067446.db2.gz IBLVXGOBNZEVFJ-HUUCEWRRSA-N 1 2 358.467 2.679 20 30 FFEDLO Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@@]23CCOC3)[NH+]2CCOCC2)s1 ZINC000329552905 512069425 /nfs/dbraw/zinc/06/94/25/512069425.db2.gz AVTRZLODGZMPIM-RLFYNMQTSA-N 1 2 350.484 2.813 20 30 FFEDLO Cc1nc(N2CCN(C(=O)N[C@H]3CSc4ccccc43)CC2)cc[nH+]1 ZINC000329580507 512072893 /nfs/dbraw/zinc/07/28/93/512072893.db2.gz PRHHHDIHFLZMEZ-HNNXBMFYSA-N 1 2 355.467 2.668 20 30 FFEDLO Cc1ccccc1[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)[C@@H](C)CO1 ZINC000329599768 512075675 /nfs/dbraw/zinc/07/56/75/512075675.db2.gz DQVMSJPMJNHSHI-KHYOSLBOSA-N 1 2 354.454 2.951 20 30 FFEDLO Cc1ccccc1[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H](C)CO1 ZINC000329599768 512075680 /nfs/dbraw/zinc/07/56/80/512075680.db2.gz DQVMSJPMJNHSHI-KHYOSLBOSA-N 1 2 354.454 2.951 20 30 FFEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H](c2ccc(F)cc2)O1 ZINC000329628030 512079194 /nfs/dbraw/zinc/07/91/94/512079194.db2.gz UMMUJZKJMXSHAH-CDHAZOANSA-N 1 2 358.417 2.782 20 30 FFEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H](c2ccc(F)cc2)O1 ZINC000329628030 512079197 /nfs/dbraw/zinc/07/91/97/512079197.db2.gz UMMUJZKJMXSHAH-CDHAZOANSA-N 1 2 358.417 2.782 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)C[C@@]2(CCOC2)O1 ZINC000366567482 512088173 /nfs/dbraw/zinc/08/81/73/512088173.db2.gz JCXLUGBAPVGUKF-MLGOLLRUSA-N 1 2 351.244 2.701 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)C[C@@]2(CCOC2)O1 ZINC000366567482 512088174 /nfs/dbraw/zinc/08/81/74/512088174.db2.gz JCXLUGBAPVGUKF-MLGOLLRUSA-N 1 2 351.244 2.701 20 30 FFEDLO C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000329855834 512104424 /nfs/dbraw/zinc/10/44/24/512104424.db2.gz UHQQQBYYZRYNEW-HZPDHXFCSA-N 1 2 373.501 2.525 20 30 FFEDLO N#Cc1ccc(Cc2cnc(NC(=O)N3CCn4c[nH+]cc4C3)s2)cc1 ZINC000377774573 512443240 /nfs/dbraw/zinc/44/32/40/512443240.db2.gz HEYADSJIBZVDPI-UHFFFAOYSA-N 1 2 364.434 2.850 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375791063 512508489 /nfs/dbraw/zinc/50/84/89/512508489.db2.gz NUAKEEHVGMPPRC-QZTJIDSGSA-N 1 2 361.417 2.567 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375791063 512508492 /nfs/dbraw/zinc/50/84/92/512508492.db2.gz NUAKEEHVGMPPRC-QZTJIDSGSA-N 1 2 361.417 2.567 20 30 FFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000411194100 512514233 /nfs/dbraw/zinc/51/42/33/512514233.db2.gz PLLZUKJECFUJMZ-QGZVFWFLSA-N 1 2 369.425 2.512 20 30 FFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000411194100 512514237 /nfs/dbraw/zinc/51/42/37/512514237.db2.gz PLLZUKJECFUJMZ-QGZVFWFLSA-N 1 2 369.425 2.512 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000374026067 512628804 /nfs/dbraw/zinc/62/88/04/512628804.db2.gz IQQTYISUVCLNMY-IHSNIMORSA-N 1 2 357.454 2.544 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000374026067 512628808 /nfs/dbraw/zinc/62/88/08/512628808.db2.gz IQQTYISUVCLNMY-IHSNIMORSA-N 1 2 357.454 2.544 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H](O)COCc3cccs3)CCO2)c1 ZINC000376209130 512710708 /nfs/dbraw/zinc/71/07/08/512710708.db2.gz IJYONCANDIEWLV-IEBWSBKVSA-N 1 2 358.463 2.571 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H](O)COCc3cccs3)CCO2)c1 ZINC000376209130 512710713 /nfs/dbraw/zinc/71/07/13/512710713.db2.gz IJYONCANDIEWLV-IEBWSBKVSA-N 1 2 358.463 2.571 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)C2)c(F)c1 ZINC000376231627 512722835 /nfs/dbraw/zinc/72/28/35/512722835.db2.gz SJCOTWHVOFALKJ-MRXNPFEDSA-N 1 2 367.428 2.653 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)C2)c(F)c1 ZINC000376231627 512722839 /nfs/dbraw/zinc/72/28/39/512722839.db2.gz SJCOTWHVOFALKJ-MRXNPFEDSA-N 1 2 367.428 2.653 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411986878 512902230 /nfs/dbraw/zinc/90/22/30/512902230.db2.gz PDZFIOCGCPZEAA-LPTQZCDUSA-N 1 2 369.465 2.539 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411986878 512902234 /nfs/dbraw/zinc/90/22/34/512902234.db2.gz PDZFIOCGCPZEAA-LPTQZCDUSA-N 1 2 369.465 2.539 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368394386 512928872 /nfs/dbraw/zinc/92/88/72/512928872.db2.gz VIZJZTMHCTZKAX-ZBFHGGJFSA-N 1 2 374.510 2.923 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368394386 512928876 /nfs/dbraw/zinc/92/88/76/512928876.db2.gz VIZJZTMHCTZKAX-ZBFHGGJFSA-N 1 2 374.510 2.923 20 30 FFEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000407974034 512977912 /nfs/dbraw/zinc/97/79/12/512977912.db2.gz ZUVHARPGUHZGON-HZPDHXFCSA-N 1 2 358.461 2.609 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1cccc(Br)c1 ZINC000376935913 513057180 /nfs/dbraw/zinc/05/71/80/513057180.db2.gz AEWNCTLLWHBHFV-TZMCWYRMSA-N 1 2 359.227 2.589 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CC3CCCCC3)CC2)s1 ZINC000408402398 513059383 /nfs/dbraw/zinc/05/93/83/513059383.db2.gz ICONHCSOKNVFKG-UHFFFAOYSA-N 1 2 353.513 2.506 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000428932217 513226175 /nfs/dbraw/zinc/22/61/75/513226175.db2.gz JEGDCTCANGGURQ-OAHLLOKOSA-N 1 2 358.360 2.987 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000428932217 513226182 /nfs/dbraw/zinc/22/61/82/513226182.db2.gz JEGDCTCANGGURQ-OAHLLOKOSA-N 1 2 358.360 2.987 20 30 FFEDLO C=CCc1cc(CNc2cc(N3CCOCC3)nc[nH+]2)cc(OC)c1OC ZINC000434103456 513238080 /nfs/dbraw/zinc/23/80/80/513238080.db2.gz YWOQKXOXFQOKBP-UHFFFAOYSA-N 1 2 370.453 2.671 20 30 FFEDLO C=CCc1cc(CNc2cc(N3CCOCC3)[nH+]cn2)cc(OC)c1OC ZINC000434103456 513238087 /nfs/dbraw/zinc/23/80/87/513238087.db2.gz YWOQKXOXFQOKBP-UHFFFAOYSA-N 1 2 370.453 2.671 20 30 FFEDLO C=CCCn1cc(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3C)CC2)nn1 ZINC000424838643 513299419 /nfs/dbraw/zinc/29/94/19/513299419.db2.gz OXLDWIGPBBSWEL-UHFFFAOYSA-N 1 2 373.888 2.774 20 30 FFEDLO Cc1cccc([C@H](CNc2nccc(C#N)c2Cl)[NH+]2CCOCC2)c1 ZINC000429205352 513305007 /nfs/dbraw/zinc/30/50/07/513305007.db2.gz ZRNVQFOELQRRLL-KRWDZBQOSA-N 1 2 356.857 2.822 20 30 FFEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000429227026 513308848 /nfs/dbraw/zinc/30/88/48/513308848.db2.gz MSIFEWAXHIRECE-OAHLLOKOSA-N 1 2 352.413 2.847 20 30 FFEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000429227026 513308856 /nfs/dbraw/zinc/30/88/56/513308856.db2.gz MSIFEWAXHIRECE-OAHLLOKOSA-N 1 2 352.413 2.847 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429266767 513321374 /nfs/dbraw/zinc/32/13/74/513321374.db2.gz YFTDMZKMEHJMFW-JXXFODFXSA-N 1 2 360.477 2.779 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429266767 513321381 /nfs/dbraw/zinc/32/13/81/513321381.db2.gz YFTDMZKMEHJMFW-JXXFODFXSA-N 1 2 360.477 2.779 20 30 FFEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000429266152 513321401 /nfs/dbraw/zinc/32/14/01/513321401.db2.gz SUDYTCBCBFVLKR-HNNXBMFYSA-N 1 2 352.413 2.847 20 30 FFEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000429266152 513321408 /nfs/dbraw/zinc/32/14/08/513321408.db2.gz SUDYTCBCBFVLKR-HNNXBMFYSA-N 1 2 352.413 2.847 20 30 FFEDLO COc1ccc(Br)c(C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N)c1 ZINC000429294378 513331504 /nfs/dbraw/zinc/33/15/04/513331504.db2.gz MPOSRZCCQKDNLW-GFCCVEGCSA-N 1 2 368.275 2.650 20 30 FFEDLO COc1ccc(Br)c(C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N)c1 ZINC000429294378 513331510 /nfs/dbraw/zinc/33/15/10/513331510.db2.gz MPOSRZCCQKDNLW-GFCCVEGCSA-N 1 2 368.275 2.650 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC(=O)NCCC2CCCCC2)CC1 ZINC000440628926 513365974 /nfs/dbraw/zinc/36/59/74/513365974.db2.gz WYEILTWHLPRWCF-OAQYLSRUSA-N 1 2 368.525 2.955 20 30 FFEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)no1 ZINC000425253391 513476652 /nfs/dbraw/zinc/47/66/52/513476652.db2.gz JITFYPZRRNMXBD-HNNXBMFYSA-N 1 2 370.413 2.649 20 30 FFEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)no1 ZINC000425253391 513476660 /nfs/dbraw/zinc/47/66/60/513476660.db2.gz JITFYPZRRNMXBD-HNNXBMFYSA-N 1 2 370.413 2.649 20 30 FFEDLO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)Cc2ccccc21 ZINC000441118558 513489885 /nfs/dbraw/zinc/48/98/85/513489885.db2.gz CDFLBNQNNYDQMS-FQELHTAISA-N 1 2 371.481 2.592 20 30 FFEDLO CCOC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)Cc2ccccc21 ZINC000441118558 513489895 /nfs/dbraw/zinc/48/98/95/513489895.db2.gz CDFLBNQNNYDQMS-FQELHTAISA-N 1 2 371.481 2.592 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])C1=O ZINC000425446328 513570705 /nfs/dbraw/zinc/57/07/05/513570705.db2.gz PZMIUHZUMNWSQV-CYBMUJFWSA-N 1 2 368.231 2.576 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])C1=O ZINC000425446328 513570708 /nfs/dbraw/zinc/57/07/08/513570708.db2.gz PZMIUHZUMNWSQV-CYBMUJFWSA-N 1 2 368.231 2.576 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)s1 ZINC000435433953 513586391 /nfs/dbraw/zinc/58/63/91/513586391.db2.gz VLGBNXTXCATPBL-CQSZACIVSA-N 1 2 365.480 2.718 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c(C#N)c1C ZINC000425555952 513638119 /nfs/dbraw/zinc/63/81/19/513638119.db2.gz RPGLOQPHGJEQRR-GOSISDBHSA-N 1 2 357.454 2.988 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c(C#N)c1C ZINC000425555952 513638122 /nfs/dbraw/zinc/63/81/22/513638122.db2.gz RPGLOQPHGJEQRR-GOSISDBHSA-N 1 2 357.454 2.988 20 30 FFEDLO C[C@H](C#N)CN(C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)C1CC1 ZINC000441958004 513651867 /nfs/dbraw/zinc/65/18/67/513651867.db2.gz VKIRUBKNXNADRH-CQSZACIVSA-N 1 2 364.405 2.963 20 30 FFEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2c(F)cc(C#N)cc2F)C1 ZINC000418946547 513699458 /nfs/dbraw/zinc/69/94/58/513699458.db2.gz MZOZDVIWPGXIFJ-SFHVURJKSA-N 1 2 351.397 2.737 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000436188324 513788121 /nfs/dbraw/zinc/78/81/21/513788121.db2.gz RPQWCFQOJSYJBY-UHFFFAOYSA-N 1 2 372.856 2.665 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3cnc(-c4ccco4)s3)CC2)c1C#N ZINC000425992759 513819385 /nfs/dbraw/zinc/81/93/85/513819385.db2.gz HEABCESYCJTRCI-UHFFFAOYSA-N 1 2 368.466 2.639 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCC1(C#N)CCC1 ZINC000419626589 513864235 /nfs/dbraw/zinc/86/42/35/513864235.db2.gz NATCLKUELDHMPL-SFHVURJKSA-N 1 2 370.497 2.613 20 30 FFEDLO CC1(C)C[N@H+](CCNC(=O)N[C@@H](CCCC#N)c2ccccc2)CCO1 ZINC000431294617 513867492 /nfs/dbraw/zinc/86/74/92/513867492.db2.gz ZDZDWUAIVVXGKG-SFHVURJKSA-N 1 2 358.486 2.832 20 30 FFEDLO CC1(C)C[N@@H+](CCNC(=O)N[C@@H](CCCC#N)c2ccccc2)CCO1 ZINC000431294617 513867497 /nfs/dbraw/zinc/86/74/97/513867497.db2.gz ZDZDWUAIVVXGKG-SFHVURJKSA-N 1 2 358.486 2.832 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000414157381 513993885 /nfs/dbraw/zinc/99/38/85/513993885.db2.gz XXQZIAANVPGMNK-GOSISDBHSA-N 1 2 353.422 2.524 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000414157381 513993888 /nfs/dbraw/zinc/99/38/88/513993888.db2.gz XXQZIAANVPGMNK-GOSISDBHSA-N 1 2 353.422 2.524 20 30 FFEDLO COc1cc(F)cc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000449044256 514047748 /nfs/dbraw/zinc/04/77/48/514047748.db2.gz CPIVERWVEDUKDN-JLTOFOAXSA-N 1 2 351.381 2.680 20 30 FFEDLO COc1cc(F)cc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000449044256 514047755 /nfs/dbraw/zinc/04/77/55/514047755.db2.gz CPIVERWVEDUKDN-JLTOFOAXSA-N 1 2 351.381 2.680 20 30 FFEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000451924125 514074833 /nfs/dbraw/zinc/07/48/33/514074833.db2.gz BWIUPTBMIMJSBW-JTQLQIEISA-N 1 2 372.372 2.833 20 30 FFEDLO Cc1cc(S(=O)(=O)N2C[C@H](C)[NH2+]Cc3ccc(F)cc32)ccc1C#N ZINC000420458286 514155235 /nfs/dbraw/zinc/15/52/35/514155235.db2.gz KCSXHZSJPQLMJE-ZDUSSCGKSA-N 1 2 359.426 2.693 20 30 FFEDLO Cc1cccc(S(=O)(=O)N2C[C@@H](C)[NH2+]Cc3ccc(F)cc32)c1C#N ZINC000420465352 514159294 /nfs/dbraw/zinc/15/92/94/514159294.db2.gz VGRLOAFLMCIYEF-CYBMUJFWSA-N 1 2 359.426 2.693 20 30 FFEDLO C=C(C)[C@H](CC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1)OCC ZINC000444346137 514200351 /nfs/dbraw/zinc/20/03/51/514200351.db2.gz WWJFANNBKMPOMJ-FQEVSTJZSA-N 1 2 373.497 2.661 20 30 FFEDLO N#Cc1cnc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c(Cl)c1 ZINC000427921912 514347823 /nfs/dbraw/zinc/34/78/23/514347823.db2.gz JEXIJZNQFUGSLH-UHFFFAOYSA-N 1 2 356.813 2.691 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C(=O)OC)c1cccc(Br)c1 ZINC000424136391 514395057 /nfs/dbraw/zinc/39/50/57/514395057.db2.gz KHRWLWFDGDZDQK-QEJZJMRPSA-N 1 2 354.244 2.844 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000424136388 514395659 /nfs/dbraw/zinc/39/56/59/514395659.db2.gz KHRWLWFDGDZDQK-AEGPPILISA-N 1 2 354.244 2.844 20 30 FFEDLO C=CCn1cc(C[NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)nn1 ZINC000424167651 514405368 /nfs/dbraw/zinc/40/53/68/514405368.db2.gz DBAPVWXYIHKWHC-UHFFFAOYSA-N 1 2 365.437 2.737 20 30 FFEDLO C[N@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)CC(C)(C)C#N ZINC000433298178 514449559 /nfs/dbraw/zinc/44/95/59/514449559.db2.gz NSAWNEBNGSFUQC-INIZCTEOSA-N 1 2 357.454 2.603 20 30 FFEDLO C[N@@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)CC(C)(C)C#N ZINC000433298178 514449568 /nfs/dbraw/zinc/44/95/68/514449568.db2.gz NSAWNEBNGSFUQC-INIZCTEOSA-N 1 2 357.454 2.603 20 30 FFEDLO C[N@H+](CC(=O)NCCOc1ccc(C(F)(F)F)cc1)CC(C)(C)C#N ZINC000433298443 514449614 /nfs/dbraw/zinc/44/96/14/514449614.db2.gz OTUVYWCGYWZZCH-UHFFFAOYSA-N 1 2 357.376 2.682 20 30 FFEDLO C[N@@H+](CC(=O)NCCOc1ccc(C(F)(F)F)cc1)CC(C)(C)C#N ZINC000433298443 514449619 /nfs/dbraw/zinc/44/96/19/514449619.db2.gz OTUVYWCGYWZZCH-UHFFFAOYSA-N 1 2 357.376 2.682 20 30 FFEDLO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)CC(C)(C)C#N)cc1OC ZINC000433303122 514451131 /nfs/dbraw/zinc/45/11/31/514451131.db2.gz KMVNZWKCGYHUJO-MRXNPFEDSA-N 1 2 359.470 2.849 20 30 FFEDLO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)CC(C)(C)C#N)cc1OC ZINC000433303122 514451135 /nfs/dbraw/zinc/45/11/35/514451135.db2.gz KMVNZWKCGYHUJO-MRXNPFEDSA-N 1 2 359.470 2.849 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC000421036436 514452103 /nfs/dbraw/zinc/45/21/03/514452103.db2.gz JAIYEFHWKGYVJU-HNNXBMFYSA-N 1 2 359.470 2.676 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC000421036436 514452108 /nfs/dbraw/zinc/45/21/08/514452108.db2.gz JAIYEFHWKGYVJU-HNNXBMFYSA-N 1 2 359.470 2.676 20 30 FFEDLO CC1CCC(NC(=O)C[NH+]2CCN(Cc3cccc(F)c3C#N)CC2)CC1 ZINC000428380007 514462043 /nfs/dbraw/zinc/46/20/43/514462043.db2.gz KRFZJNIUKKEXID-UHFFFAOYSA-N 1 2 372.488 2.510 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000455545414 514583292 /nfs/dbraw/zinc/58/32/92/514583292.db2.gz QDOQYKFYTLIUNU-OAHLLOKOSA-N 1 2 367.428 2.681 20 30 FFEDLO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000453273124 514584495 /nfs/dbraw/zinc/58/44/95/514584495.db2.gz IUAVMDPNQYEIDJ-ZJWNCGCPSA-N 1 2 366.458 2.535 20 30 FFEDLO C[C@@H]([NH2+]Cc1nn(C)cc1I)c1ccc(C#N)cc1 ZINC000453384878 514616366 /nfs/dbraw/zinc/61/63/66/514616366.db2.gz UEMWEVFZCRAGKE-SNVBAGLBSA-N 1 2 366.206 2.747 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1[nH]c2ccccc2c1Cl ZINC000502468712 514660947 /nfs/dbraw/zinc/66/09/47/514660947.db2.gz PCIANYZGIPEFOT-UHFFFAOYSA-N 1 2 360.845 2.509 20 30 FFEDLO C=C(C)Cn1c(N2CC[NH+](Cc3ccco3)CC2)nnc1[C@]1(C)CCCO1 ZINC000453472713 514661126 /nfs/dbraw/zinc/66/11/26/514661126.db2.gz YBUKXDDKCHEFQY-FQEVSTJZSA-N 1 2 371.485 2.795 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)Nc1nc(CC(=O)OC)cs1)Cc1ccccc1 ZINC000470924245 514677689 /nfs/dbraw/zinc/67/76/89/514677689.db2.gz URAQLCYNODFYPZ-UHFFFAOYSA-N 1 2 373.478 2.875 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)Nc1nc(CC(=O)OC)cs1)Cc1ccccc1 ZINC000470924245 514677699 /nfs/dbraw/zinc/67/76/99/514677699.db2.gz URAQLCYNODFYPZ-UHFFFAOYSA-N 1 2 373.478 2.875 20 30 FFEDLO CCN(c1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1)C(C)C ZINC000502589620 514710025 /nfs/dbraw/zinc/71/00/25/514710025.db2.gz UGLQOQDXOAMCQD-UHFFFAOYSA-N 1 2 372.513 2.609 20 30 FFEDLO CC[C@H]1NC(=O)N(c2cccc(NCc3c[nH+]c4ccc(C#N)cn34)c2)C1=O ZINC000475548645 514712125 /nfs/dbraw/zinc/71/21/25/514712125.db2.gz NANNNGCXLCJVOV-QGZVFWFLSA-N 1 2 374.404 2.653 20 30 FFEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000471027110 514725793 /nfs/dbraw/zinc/72/57/93/514725793.db2.gz DERKEGMLOWURKI-HUUCEWRRSA-N 1 2 361.795 2.836 20 30 FFEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000484677693 514744449 /nfs/dbraw/zinc/74/44/49/514744449.db2.gz JUENZQLLKAQXEC-UHFFFAOYSA-N 1 2 361.467 2.892 20 30 FFEDLO C=CC[N@H+](CCOC)CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000484677693 514744457 /nfs/dbraw/zinc/74/44/57/514744457.db2.gz JUENZQLLKAQXEC-UHFFFAOYSA-N 1 2 361.467 2.892 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000453729998 514837233 /nfs/dbraw/zinc/83/72/33/514837233.db2.gz ILBSQFGDLXEEAT-QGZVFWFLSA-N 1 2 365.437 2.775 20 30 FFEDLO N#CCc1cccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000455937328 514848043 /nfs/dbraw/zinc/84/80/43/514848043.db2.gz DCIGJJHLWOQKNQ-HXUWFJFHSA-N 1 2 364.449 2.775 20 30 FFEDLO N#CCc1cccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000455937328 514848054 /nfs/dbraw/zinc/84/80/54/514848054.db2.gz DCIGJJHLWOQKNQ-HXUWFJFHSA-N 1 2 364.449 2.775 20 30 FFEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000509054681 515003432 /nfs/dbraw/zinc/00/34/32/515003432.db2.gz WDAPXZSWYATWDV-UHFFFAOYSA-N 1 2 365.880 2.797 20 30 FFEDLO C[C@@H](c1ccsc1)[NH+]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000462461074 515063938 /nfs/dbraw/zinc/06/39/38/515063938.db2.gz AORQZAWKHXJCQE-KSSFIOAISA-N 1 2 354.479 2.525 20 30 FFEDLO CC(C)N1C(=O)C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1(C)C ZINC000490358958 515187038 /nfs/dbraw/zinc/18/70/38/515187038.db2.gz BIPDPHJRVQSVCE-UHFFFAOYSA-N 1 2 365.481 2.790 20 30 FFEDLO CC(C)N1C(=O)C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1(C)C ZINC000490358958 515187042 /nfs/dbraw/zinc/18/70/42/515187042.db2.gz BIPDPHJRVQSVCE-UHFFFAOYSA-N 1 2 365.481 2.790 20 30 FFEDLO N#Cc1ccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cc1 ZINC000472369310 515247990 /nfs/dbraw/zinc/24/79/90/515247990.db2.gz PITKHWVSCZXCOH-UHFFFAOYSA-N 1 2 352.394 2.911 20 30 FFEDLO C=C(C)COCCNC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000485992245 515288881 /nfs/dbraw/zinc/28/88/81/515288881.db2.gz SHIYQDPURDBWTA-UHFFFAOYSA-N 1 2 351.878 2.760 20 30 FFEDLO Cc1cc(C)c(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c[nH+]1 ZINC000459087099 515313377 /nfs/dbraw/zinc/31/33/77/515313377.db2.gz WPAYCQOSWCSZMB-HXUWFJFHSA-N 1 2 363.465 2.618 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000454279314 515361103 /nfs/dbraw/zinc/36/11/03/515361103.db2.gz PBGQIWSNYNWGTF-UONOGXRCSA-N 1 2 352.504 2.824 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000454279314 515361110 /nfs/dbraw/zinc/36/11/10/515361110.db2.gz PBGQIWSNYNWGTF-UONOGXRCSA-N 1 2 352.504 2.824 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)Nc1cccc(CC#N)c1)CC2 ZINC000456752623 515403121 /nfs/dbraw/zinc/40/31/21/515403121.db2.gz OZRVUZOCSVRLKE-UHFFFAOYSA-N 1 2 365.433 2.767 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)Nc1cccc(CC#N)c1)CC2 ZINC000456752623 515403129 /nfs/dbraw/zinc/40/31/29/515403129.db2.gz OZRVUZOCSVRLKE-UHFFFAOYSA-N 1 2 365.433 2.767 20 30 FFEDLO Cc1onc(CC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1C#N ZINC000499744566 515436132 /nfs/dbraw/zinc/43/61/32/515436132.db2.gz VBEVUECWXNYTEX-ZIAGYGMSSA-N 1 2 368.437 2.645 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)CO ZINC000459301325 515457320 /nfs/dbraw/zinc/45/73/20/515457320.db2.gz CTQZVFDTWJZAFT-CQSZACIVSA-N 1 2 361.833 2.826 20 30 FFEDLO C=C(C)Cn1c(SCC(=O)N(C)Cc2[nH]cc[nH+]2)nnc1-c1ccco1 ZINC000481800949 515471066 /nfs/dbraw/zinc/47/10/66/515471066.db2.gz MDAHYLAJDPQMNR-UHFFFAOYSA-N 1 2 372.454 2.588 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)cc2)nc1 ZINC000492654419 515550712 /nfs/dbraw/zinc/55/07/12/515550712.db2.gz HHNOKMMWLOCAPT-OAHLLOKOSA-N 1 2 359.389 2.756 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)cc2)nc1 ZINC000492654419 515550721 /nfs/dbraw/zinc/55/07/21/515550721.db2.gz HHNOKMMWLOCAPT-OAHLLOKOSA-N 1 2 359.389 2.756 20 30 FFEDLO C=CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000486597333 515555054 /nfs/dbraw/zinc/55/50/54/515555054.db2.gz AWRXVUKXNLSPGV-SJORKVTESA-N 1 2 358.454 2.984 20 30 FFEDLO C=CCCS(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000486597333 515555063 /nfs/dbraw/zinc/55/50/63/515555063.db2.gz AWRXVUKXNLSPGV-SJORKVTESA-N 1 2 358.454 2.984 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000500102482 515590592 /nfs/dbraw/zinc/59/05/92/515590592.db2.gz NBYXSALXKKEKKW-INIZCTEOSA-N 1 2 372.469 2.942 20 30 FFEDLO COC(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)s1 ZINC000459505497 515603602 /nfs/dbraw/zinc/60/36/02/515603602.db2.gz FIQSDJVEIZUTCT-UHFFFAOYSA-N 1 2 371.462 2.737 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1C#N ZINC000505608152 515607548 /nfs/dbraw/zinc/60/75/48/515607548.db2.gz JLCBEOHTWGKRGW-WBMJQRKESA-N 1 2 370.478 2.802 20 30 FFEDLO N#Cc1ccc2[nH+]cc(CN3CC(OCCCOc4ccccc4)C3)n2c1 ZINC000459584316 515672377 /nfs/dbraw/zinc/67/23/77/515672377.db2.gz ADDSTSFDABPEPV-UHFFFAOYSA-N 1 2 362.433 2.876 20 30 FFEDLO CCOC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000459700976 515752640 /nfs/dbraw/zinc/75/26/40/515752640.db2.gz DVTKUJHJDSBEBD-SFHVURJKSA-N 1 2 367.453 2.573 20 30 FFEDLO CCOC[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000459700976 515752654 /nfs/dbraw/zinc/75/26/54/515752654.db2.gz DVTKUJHJDSBEBD-SFHVURJKSA-N 1 2 367.453 2.573 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1C#N ZINC000473815089 515760407 /nfs/dbraw/zinc/76/04/07/515760407.db2.gz CMBLCKGAODMLRN-UHFFFAOYSA-N 1 2 374.510 2.908 20 30 FFEDLO N#Cc1cc(F)ccc1NC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000454917436 515832788 /nfs/dbraw/zinc/83/27/88/515832788.db2.gz GAIULHXOANJGGE-UHFFFAOYSA-N 1 2 372.400 2.657 20 30 FFEDLO Cc1cc(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)ncc1C#N ZINC000457388034 515841472 /nfs/dbraw/zinc/84/14/72/515841472.db2.gz OWVFEFRFSHJLBY-UHFFFAOYSA-N 1 2 354.841 2.873 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(-c4ccccn4)s3)CC2)nc1 ZINC000506446347 515883309 /nfs/dbraw/zinc/88/33/09/515883309.db2.gz VXEXYDXWMKQVFA-UHFFFAOYSA-N 1 2 362.462 2.794 20 30 FFEDLO CN(CC(=O)NCc1ccc(C#N)cc1)Cc1[nH+]ccn1Cc1ccccc1 ZINC000464726467 515935413 /nfs/dbraw/zinc/93/54/13/515935413.db2.gz SKSBZTIJNPLYNQ-UHFFFAOYSA-N 1 2 373.460 2.551 20 30 FFEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccncc2OCc2ccccc2)C(N)=O)cc1 ZINC000506648163 515942970 /nfs/dbraw/zinc/94/29/70/515942970.db2.gz KAZBCCDMFNFKCA-NRFANRHFSA-N 1 2 372.428 2.848 20 30 FFEDLO CCn1cc[nH+]c1[C@H](NC(=O)c1cccc(C#N)c1C)C1CCOCC1 ZINC000501397370 516090796 /nfs/dbraw/zinc/09/07/96/516090796.db2.gz RXZHGSSBEXDQEA-GOSISDBHSA-N 1 2 352.438 2.981 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000488209269 516159336 /nfs/dbraw/zinc/15/93/36/516159336.db2.gz KAGBQVXQOCPLMH-GOSISDBHSA-N 1 2 357.498 2.500 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccc(CO)o1 ZINC000512224350 516202356 /nfs/dbraw/zinc/20/23/56/516202356.db2.gz BIAYKFZRALGMIF-UHFFFAOYSA-N 1 2 373.409 2.721 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccc(CO)o1 ZINC000512224350 516202358 /nfs/dbraw/zinc/20/23/58/516202358.db2.gz BIAYKFZRALGMIF-UHFFFAOYSA-N 1 2 373.409 2.721 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000488392017 516213349 /nfs/dbraw/zinc/21/33/49/516213349.db2.gz CWHABXKBUQYROD-IBGZPJMESA-N 1 2 353.466 2.786 20 30 FFEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000507615851 516263484 /nfs/dbraw/zinc/26/34/84/516263484.db2.gz BNFXEJAVRLVRSM-UHFFFAOYSA-N 1 2 367.468 2.913 20 30 FFEDLO C=CC[N@H+](Cc1nnc(C2CC2)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517528934 516351683 /nfs/dbraw/zinc/35/16/83/516351683.db2.gz ATMFERWLDZIHHX-ZDUSSCGKSA-N 1 2 351.414 2.672 20 30 FFEDLO C=CC[N@@H+](Cc1nnc(C2CC2)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517528934 516351692 /nfs/dbraw/zinc/35/16/92/516351692.db2.gz ATMFERWLDZIHHX-ZDUSSCGKSA-N 1 2 351.414 2.672 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CCc3c[nH+]ccc32)c(C(F)(F)F)c1 ZINC000531213015 516352212 /nfs/dbraw/zinc/35/22/12/516352212.db2.gz VMCIXOSQYNYGQD-UHFFFAOYSA-N 1 2 353.325 2.723 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000550630429 516360268 /nfs/dbraw/zinc/36/02/68/516360268.db2.gz GDHLIBBMAOQNEO-RHSMWYFYSA-N 1 2 372.444 2.626 20 30 FFEDLO CC(C)(C#N)CC[NH+]1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000535664880 516441175 /nfs/dbraw/zinc/44/11/75/516441175.db2.gz DEIJPIXQZSWBNP-UHFFFAOYSA-N 1 2 355.891 2.586 20 30 FFEDLO COc1ccc([C@@H](NC(=O)N2CCC(CC#N)CC2)c2[nH+]ccn2C)cc1 ZINC000543821496 516446198 /nfs/dbraw/zinc/44/61/98/516446198.db2.gz OPZQTFFKFIVCOW-GOSISDBHSA-N 1 2 367.453 2.853 20 30 FFEDLO C=CCOc1ccccc1C[NH+]1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000513380792 516595713 /nfs/dbraw/zinc/59/57/13/516595713.db2.gz MDWHAZRPUBLSCK-GOSISDBHSA-N 1 2 371.525 2.816 20 30 FFEDLO C=CCOc1ccccc1CN1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000513380792 516595722 /nfs/dbraw/zinc/59/57/22/516595722.db2.gz MDWHAZRPUBLSCK-GOSISDBHSA-N 1 2 371.525 2.816 20 30 FFEDLO N#CC1(NC(=O)C[N@H+]2CCCN(c3ccccc3F)CC2)CCCCC1 ZINC000513386457 516596808 /nfs/dbraw/zinc/59/68/08/516596808.db2.gz LNQOTNCJDPYBME-UHFFFAOYSA-N 1 2 358.461 2.680 20 30 FFEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(c3ccccc3F)CC2)CCCCC1 ZINC000513386457 516596814 /nfs/dbraw/zinc/59/68/14/516596814.db2.gz LNQOTNCJDPYBME-UHFFFAOYSA-N 1 2 358.461 2.680 20 30 FFEDLO CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000540563960 516621357 /nfs/dbraw/zinc/62/13/57/516621357.db2.gz MRSXWPDZEDMCIG-CQSZACIVSA-N 1 2 366.402 2.996 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(CC(=O)NC3CCCCC3)CC2)cc1 ZINC000513435619 516622241 /nfs/dbraw/zinc/62/22/41/516622241.db2.gz WCKFTOWPEJDFHZ-UHFFFAOYSA-N 1 2 371.525 2.818 20 30 FFEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000528757401 516674910 /nfs/dbraw/zinc/67/49/10/516674910.db2.gz BIZZMBBRAXQQQC-UHFFFAOYSA-N 1 2 359.470 2.678 20 30 FFEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1S(=O)(=O)CC1(C#N)CCC1 ZINC000554894106 516685001 /nfs/dbraw/zinc/68/50/01/516685001.db2.gz ZEYBFPWOOPNBIZ-INIZCTEOSA-N 1 2 372.494 2.833 20 30 FFEDLO Cc1cc(C#N)cnc1C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000555066765 516763606 /nfs/dbraw/zinc/76/36/06/516763606.db2.gz VIJFWIHTXXRGLB-UHFFFAOYSA-N 1 2 354.841 2.873 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000524598952 516764722 /nfs/dbraw/zinc/76/47/22/516764722.db2.gz TYCQDPYBKGQYSF-OCCSQVGLSA-N 1 2 355.360 2.929 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000524598952 516764732 /nfs/dbraw/zinc/76/47/32/516764732.db2.gz TYCQDPYBKGQYSF-OCCSQVGLSA-N 1 2 355.360 2.929 20 30 FFEDLO N#Cc1csc(C[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)n1 ZINC000558482548 516768876 /nfs/dbraw/zinc/76/88/76/516768876.db2.gz CBDBGCHSNVULPF-UHFFFAOYSA-N 1 2 352.419 2.828 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC(CC#N)CC1)c1ccc(F)cc1 ZINC000541037284 516839719 /nfs/dbraw/zinc/83/97/19/516839719.db2.gz ZIDOXEOGLURFFZ-KRWDZBQOSA-N 1 2 355.417 2.984 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]c(-c4ccccc4)n3)CC2)cc1 ZINC000514631256 516971664 /nfs/dbraw/zinc/97/16/64/516971664.db2.gz JCUUQXSUKDBLRX-UHFFFAOYSA-N 1 2 371.444 2.906 20 30 FFEDLO C=CCc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc(OC)c1O ZINC000519517281 517020350 /nfs/dbraw/zinc/02/03/50/517020350.db2.gz QDTAWVOLDAJQFX-UHFFFAOYSA-N 1 2 364.449 2.718 20 30 FFEDLO N#Cc1ccc(CSCC(=O)NCC2CC[NH+](CC(F)F)CC2)cc1 ZINC000552121133 517092312 /nfs/dbraw/zinc/09/23/12/517092312.db2.gz RQJRKQVOEKBZDN-UHFFFAOYSA-N 1 2 367.465 2.885 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCOC[C@H]3CC3CCC3)C2=O)cc1 ZINC000555761732 517109960 /nfs/dbraw/zinc/10/99/60/517109960.db2.gz IZDZSGLCNDGMIA-UXHICEINSA-N 1 2 353.466 2.945 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCOC[C@H]3CC3CCC3)C2=O)cc1 ZINC000555761732 517109968 /nfs/dbraw/zinc/10/99/68/517109968.db2.gz IZDZSGLCNDGMIA-UXHICEINSA-N 1 2 353.466 2.945 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000555844333 517150431 /nfs/dbraw/zinc/15/04/31/517150431.db2.gz ZZFMQFNONWAOKT-UHFFFAOYSA-N 1 2 357.479 2.922 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000555844333 517150437 /nfs/dbraw/zinc/15/04/37/517150437.db2.gz ZZFMQFNONWAOKT-UHFFFAOYSA-N 1 2 357.479 2.922 20 30 FFEDLO Cc1cc(C)cc(NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000532916678 517201053 /nfs/dbraw/zinc/20/10/53/517201053.db2.gz PZZDQJMRFRHMQA-UHFFFAOYSA-N 1 2 362.477 2.931 20 30 FFEDLO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000545506195 517270919 /nfs/dbraw/zinc/27/09/19/517270919.db2.gz PDCAKZREPGNHGV-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO Cc1ccc(NC(=O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1Cl ZINC000545505733 517271046 /nfs/dbraw/zinc/27/10/46/517271046.db2.gz RJOIZSXVMWRBFM-UHFFFAOYSA-N 1 2 369.856 2.676 20 30 FFEDLO COC(=O)C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000533246455 517365333 /nfs/dbraw/zinc/36/53/33/517365333.db2.gz SCTISGIUBLTSKD-UHFFFAOYSA-N 1 2 351.406 2.562 20 30 FFEDLO COC(=O)C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000533246455 517365342 /nfs/dbraw/zinc/36/53/42/517365342.db2.gz SCTISGIUBLTSKD-UHFFFAOYSA-N 1 2 351.406 2.562 20 30 FFEDLO Cc1cccc([C@@H](CNC(=O)c2ccc(F)c(C#N)c2)[NH+]2CCOCC2)c1 ZINC000556397893 517408946 /nfs/dbraw/zinc/40/89/46/517408946.db2.gz GYJKZWNIGNCJND-HXUWFJFHSA-N 1 2 367.424 2.809 20 30 FFEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000533346644 517417737 /nfs/dbraw/zinc/41/77/37/517417737.db2.gz FIDILZLPQFUKQK-MRXNPFEDSA-N 1 2 357.454 2.941 20 30 FFEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000533346644 517417747 /nfs/dbraw/zinc/41/77/47/517417747.db2.gz FIDILZLPQFUKQK-MRXNPFEDSA-N 1 2 357.454 2.941 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545932624 517444635 /nfs/dbraw/zinc/44/46/35/517444635.db2.gz WXKMIRGVKJTFMK-PXAZEXFGSA-N 1 2 369.387 2.911 20 30 FFEDLO C=C1CC[NH+](Cc2nc3cc(S(=O)(=O)N(CC)CC)ccc3[nH]2)CC1 ZINC000533419416 517453927 /nfs/dbraw/zinc/45/39/27/517453927.db2.gz SLYCQYWEERHIFT-UHFFFAOYSA-N 1 2 362.499 2.745 20 30 FFEDLO N#Cc1cccc(CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])c1 ZINC000515901715 517507131 /nfs/dbraw/zinc/50/71/31/517507131.db2.gz HHIWMTAKSNCEOL-UHFFFAOYSA-N 1 2 366.421 2.953 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1C#N ZINC000559989655 517520640 /nfs/dbraw/zinc/52/06/40/517520640.db2.gz AXDPBDWNLHFOSS-CVEARBPZSA-N 1 2 368.462 2.556 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1C#N ZINC000559989655 517520650 /nfs/dbraw/zinc/52/06/50/517520650.db2.gz AXDPBDWNLHFOSS-CVEARBPZSA-N 1 2 368.462 2.556 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1C#N ZINC000559989656 517521197 /nfs/dbraw/zinc/52/11/97/517521197.db2.gz AXDPBDWNLHFOSS-HOTGVXAUSA-N 1 2 368.462 2.556 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1C#N ZINC000559989656 517521206 /nfs/dbraw/zinc/52/12/06/517521206.db2.gz AXDPBDWNLHFOSS-HOTGVXAUSA-N 1 2 368.462 2.556 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000538368299 517589387 /nfs/dbraw/zinc/58/93/87/517589387.db2.gz BBZXKQZSADRPGK-AZUAARDMSA-N 1 2 359.514 2.974 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](C)c2ccon2)c1C#N ZINC000542647454 517667336 /nfs/dbraw/zinc/66/73/36/517667336.db2.gz HFEUHNDYEVIXBM-ZDUSSCGKSA-N 1 2 367.409 2.895 20 30 FFEDLO CN1CC[NH+]([C@H](C(=O)N2CCC(CCC#N)CC2)c2ccccc2)CC1 ZINC000563187573 517723066 /nfs/dbraw/zinc/72/30/66/517723066.db2.gz XPQKUIURMSBMEH-FQEVSTJZSA-N 1 2 354.498 2.517 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000563220255 517749100 /nfs/dbraw/zinc/74/91/00/517749100.db2.gz JGENDOOHQSUDOU-MRXNPFEDSA-N 1 2 366.343 2.934 20 30 FFEDLO CCN1CCN(c2ccc(Br)cc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530534327 517835053 /nfs/dbraw/zinc/83/50/53/517835053.db2.gz MCDGLCUJHLASLI-OAHLLOKOSA-N 1 2 360.259 2.927 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3c(F)cccc3F)CC2)cc1 ZINC000550156559 517897374 /nfs/dbraw/zinc/89/73/74/517897374.db2.gz ANHFIZVVDWQZTC-UHFFFAOYSA-N 1 2 370.403 2.593 20 30 FFEDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000560584483 517910554 /nfs/dbraw/zinc/91/05/54/517910554.db2.gz WENDKLXRDDGDQW-OAHLLOKOSA-N 1 2 356.382 2.862 20 30 FFEDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000560584483 517910561 /nfs/dbraw/zinc/91/05/61/517910561.db2.gz WENDKLXRDDGDQW-OAHLLOKOSA-N 1 2 356.382 2.862 20 30 FFEDLO N#Cc1ccnc(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)c1 ZINC000550202076 517924258 /nfs/dbraw/zinc/92/42/58/517924258.db2.gz QWBXHCPALZJOIM-UHFFFAOYSA-N 1 2 357.417 2.591 20 30 FFEDLO C[C@](O)(C1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000517077979 518016350 /nfs/dbraw/zinc/01/63/50/518016350.db2.gz AIHLBJANXWNVFB-HNNXBMFYSA-N 1 2 357.332 2.992 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000550394632 518028541 /nfs/dbraw/zinc/02/85/41/518028541.db2.gz ZDFXGIHJCOWPKG-MSOLQXFVSA-N 1 2 355.825 2.891 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000550394632 518028551 /nfs/dbraw/zinc/02/85/51/518028551.db2.gz ZDFXGIHJCOWPKG-MSOLQXFVSA-N 1 2 355.825 2.891 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CCOc3cc[nH+]cc32)c(C(F)(F)F)c1 ZINC000530931718 518058224 /nfs/dbraw/zinc/05/82/24/518058224.db2.gz XSNCUCVEOOEDDD-UHFFFAOYSA-N 1 2 369.324 2.560 20 30 FFEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000550472685 518077189 /nfs/dbraw/zinc/07/71/89/518077189.db2.gz XXESLWSWYHYYOD-OAHLLOKOSA-N 1 2 364.405 2.985 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1)OCC ZINC000535150577 518159361 /nfs/dbraw/zinc/15/93/61/518159361.db2.gz ACJLTVBGSOBLIT-WOJBJXKFSA-N 1 2 360.498 2.856 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)nc1 ZINC000584180278 518217021 /nfs/dbraw/zinc/21/70/21/518217021.db2.gz ICJCLRNXMJVKAA-UHFFFAOYSA-N 1 2 366.856 2.572 20 30 FFEDLO C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000578511741 518245625 /nfs/dbraw/zinc/24/56/25/518245625.db2.gz CWPPJTGMIOGZLB-WBMJQRKESA-N 1 2 357.376 2.724 20 30 FFEDLO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572769312 518352589 /nfs/dbraw/zinc/35/25/89/518352589.db2.gz WMHHROKVKRPNRV-BZNIZROVSA-N 1 2 370.266 2.727 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3ccccc3)CC2)nc1 ZINC000572879117 518404331 /nfs/dbraw/zinc/40/43/31/518404331.db2.gz QEZBWOXAZSMSJH-UHFFFAOYSA-N 1 2 355.463 2.607 20 30 FFEDLO Cc1nnsc1C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000578993328 518470723 /nfs/dbraw/zinc/47/07/23/518470723.db2.gz SSZYMYWFBFJNRI-UHFFFAOYSA-N 1 2 350.451 2.589 20 30 FFEDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000564660577 518551369 /nfs/dbraw/zinc/55/13/69/518551369.db2.gz LCEGHWARAKXTTP-UHFFFAOYSA-N 1 2 372.450 2.975 20 30 FFEDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000564660577 518551377 /nfs/dbraw/zinc/55/13/77/518551377.db2.gz LCEGHWARAKXTTP-UHFFFAOYSA-N 1 2 372.450 2.975 20 30 FFEDLO CSCC[C@](C)(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000582146283 518610530 /nfs/dbraw/zinc/61/05/30/518610530.db2.gz PMQKTJGYZXMJNB-MRXNPFEDSA-N 1 2 359.411 2.546 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc2nc(N3CCCC3)sc2c1 ZINC000582176824 518623715 /nfs/dbraw/zinc/62/37/15/518623715.db2.gz NDVJMGZDEMATEZ-OAHLLOKOSA-N 1 2 359.499 2.515 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2nc(N3CCCC3)sc2c1 ZINC000582176824 518623724 /nfs/dbraw/zinc/62/37/24/518623724.db2.gz NDVJMGZDEMATEZ-OAHLLOKOSA-N 1 2 359.499 2.515 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3ccnn3-c3ccccc3)CC2)c1C#N ZINC000576509809 518627571 /nfs/dbraw/zinc/62/75/71/518627571.db2.gz AQJSJTPWQHSAPP-UHFFFAOYSA-N 1 2 364.478 2.831 20 30 FFEDLO C=CCN1C(=O)N([C@@H]2C[C@H](C)n3cc[nH+]c32)C(=O)[C@@H]1Cc1ccccc1 ZINC000573549764 518721459 /nfs/dbraw/zinc/72/14/59/518721459.db2.gz ZXEVJEFFCGQNKD-UAGQMJEPSA-N 1 2 350.422 2.950 20 30 FFEDLO Cc1nc(N2CCN(Cc3ccc(Br)cc3C#N)CC2)cc[nH+]1 ZINC000588205298 518749910 /nfs/dbraw/zinc/74/99/10/518749910.db2.gz WCFXRCFBEAMCKH-UHFFFAOYSA-N 1 2 372.270 2.741 20 30 FFEDLO C=CCC[C@H](C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1)c1ccccc1 ZINC000570934729 518850863 /nfs/dbraw/zinc/85/08/63/518850863.db2.gz QCFYZPADCMTASX-OALUTQOASA-N 1 2 367.493 2.907 20 30 FFEDLO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1ccc(F)cc1F ZINC000588978842 518887125 /nfs/dbraw/zinc/88/71/25/518887125.db2.gz MWJZGXZTEPRCDI-UHFFFAOYSA-N 1 2 359.376 2.924 20 30 FFEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1ccc(F)cc1F ZINC000588978842 518887130 /nfs/dbraw/zinc/88/71/30/518887130.db2.gz MWJZGXZTEPRCDI-UHFFFAOYSA-N 1 2 359.376 2.924 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1cnc2ccc(Br)cc2c1 ZINC000573901399 518890129 /nfs/dbraw/zinc/89/01/29/518890129.db2.gz GKPBJQKBBRTXJR-AWEZNQCLSA-N 1 2 364.243 2.582 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cnc2ccc(Br)cc2c1 ZINC000573901399 518890138 /nfs/dbraw/zinc/89/01/38/518890138.db2.gz GKPBJQKBBRTXJR-AWEZNQCLSA-N 1 2 364.243 2.582 20 30 FFEDLO Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571106362 518928960 /nfs/dbraw/zinc/92/89/60/518928960.db2.gz GNKPYGULUUQOKE-OKILXGFUSA-N 1 2 359.857 2.944 20 30 FFEDLO Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571106362 518928966 /nfs/dbraw/zinc/92/89/66/518928966.db2.gz GNKPYGULUUQOKE-OKILXGFUSA-N 1 2 359.857 2.944 20 30 FFEDLO C[NH+](C)[C@@H](C(=O)Nc1nc2n(c1C#N)CCS2)c1ccc(Cl)cc1 ZINC000571222785 518987343 /nfs/dbraw/zinc/98/73/43/518987343.db2.gz YDRDTLXQZJJBSX-CYBMUJFWSA-N 1 2 361.858 2.755 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](C)c1cccc(OC)c1 ZINC000577439369 519079866 /nfs/dbraw/zinc/07/98/66/519079866.db2.gz YBMXGNZXJXQDLO-HNNXBMFYSA-N 1 2 373.478 2.819 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](C)c1cccc(OC)c1 ZINC000577439369 519079871 /nfs/dbraw/zinc/07/98/71/519079871.db2.gz YBMXGNZXJXQDLO-HNNXBMFYSA-N 1 2 373.478 2.819 20 30 FFEDLO C=CCN=c1[nH]cc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)s1 ZINC000571457008 519105256 /nfs/dbraw/zinc/10/52/56/519105256.db2.gz CZLXMTUJTCKPFI-HDJSIYSDSA-N 1 2 357.483 2.711 20 30 FFEDLO CCc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000577569731 519143562 /nfs/dbraw/zinc/14/35/62/519143562.db2.gz GARHKWZMHXKOJS-GOSISDBHSA-N 1 2 350.422 2.607 20 30 FFEDLO CCc1ccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000577569731 519143567 /nfs/dbraw/zinc/14/35/67/519143567.db2.gz GARHKWZMHXKOJS-GOSISDBHSA-N 1 2 350.422 2.607 20 30 FFEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000580437619 519177504 /nfs/dbraw/zinc/17/75/04/519177504.db2.gz CFOJELVGAZNLBS-IEBWSBKVSA-N 1 2 355.825 2.958 20 30 FFEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000580437619 519177509 /nfs/dbraw/zinc/17/75/09/519177509.db2.gz CFOJELVGAZNLBS-IEBWSBKVSA-N 1 2 355.825 2.958 20 30 FFEDLO C=CCCn1cc(C(=O)N2CCC(n3c(C)[nH+]c4ccccc43)CC2)nn1 ZINC000571874547 519322312 /nfs/dbraw/zinc/32/23/12/519322312.db2.gz KPLNHOODIZFFSG-UHFFFAOYSA-N 1 2 364.453 2.990 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000566199395 519364455 /nfs/dbraw/zinc/36/44/55/519364455.db2.gz URDGINOGEHRSQD-NVXWUHKLSA-N 1 2 357.364 2.798 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000566199395 519364465 /nfs/dbraw/zinc/36/44/65/519364465.db2.gz URDGINOGEHRSQD-NVXWUHKLSA-N 1 2 357.364 2.798 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000569159019 519406237 /nfs/dbraw/zinc/40/62/37/519406237.db2.gz GBVYLJVDBKRBEB-CRAIPNDOSA-N 1 2 354.853 2.887 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000569159019 519406242 /nfs/dbraw/zinc/40/62/42/519406242.db2.gz GBVYLJVDBKRBEB-CRAIPNDOSA-N 1 2 354.853 2.887 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c(C(F)(F)F)c1 ZINC000580923646 519427194 /nfs/dbraw/zinc/42/71/94/519427194.db2.gz SRZBNLJEXVOROO-CQSZACIVSA-N 1 2 352.360 2.613 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c(C(F)(F)F)c1 ZINC000580923646 519427196 /nfs/dbraw/zinc/42/71/96/519427196.db2.gz SRZBNLJEXVOROO-CQSZACIVSA-N 1 2 352.360 2.613 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 ZINC000590954597 519456057 /nfs/dbraw/zinc/45/60/57/519456057.db2.gz WFARUWUACCICDH-GOSISDBHSA-N 1 2 351.454 2.515 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H](N2CCC(Nc3cccc[nH+]3)CC2)C1=O ZINC000572123058 519456709 /nfs/dbraw/zinc/45/67/09/519456709.db2.gz GPQVUZDLIGQLHY-MRXNPFEDSA-N 1 2 367.478 2.697 20 30 FFEDLO C[C@@H](CC#N)C(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000597273171 519923242 /nfs/dbraw/zinc/92/32/42/519923242.db2.gz HAVRYLUAYFFOAL-AWEZNQCLSA-N 1 2 359.861 2.572 20 30 FFEDLO C[C@@H](CC#N)C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000597273171 519923252 /nfs/dbraw/zinc/92/32/52/519923252.db2.gz HAVRYLUAYFFOAL-AWEZNQCLSA-N 1 2 359.861 2.572 20 30 FFEDLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602859312 519931972 /nfs/dbraw/zinc/93/19/72/519931972.db2.gz FBXBPXIFBVGEBF-OWCLPIDISA-N 1 2 362.905 2.778 20 30 FFEDLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602859312 519931979 /nfs/dbraw/zinc/93/19/79/519931979.db2.gz FBXBPXIFBVGEBF-OWCLPIDISA-N 1 2 362.905 2.778 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857902 519932316 /nfs/dbraw/zinc/93/23/16/519932316.db2.gz WRKLQNULFVFONM-MJBXVCDLSA-N 1 2 368.403 2.951 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857902 519932320 /nfs/dbraw/zinc/93/23/20/519932320.db2.gz WRKLQNULFVFONM-MJBXVCDLSA-N 1 2 368.403 2.951 20 30 FFEDLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602866373 519937724 /nfs/dbraw/zinc/93/77/24/519937724.db2.gz VSONFSPAHIQUAN-QBPKDAKJSA-N 1 2 360.527 2.718 20 30 FFEDLO Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(Nc3ccccc3C#N)CC2)on1 ZINC000602899034 519959940 /nfs/dbraw/zinc/95/99/40/519959940.db2.gz RHUMBUIJQBKXLS-CQSZACIVSA-N 1 2 353.426 2.758 20 30 FFEDLO CS(=O)(=O)c1cccc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)c1 ZINC000602907156 519964313 /nfs/dbraw/zinc/96/43/13/519964313.db2.gz OBMTXFCPTDDHRI-UHFFFAOYSA-N 1 2 355.463 2.736 20 30 FFEDLO COc1cc(C)c([C@H](C)NC(=O)C[N@H+](C)[C@H]2CCC[C@H]2C#N)cc1OC ZINC000602977422 520003046 /nfs/dbraw/zinc/00/30/46/520003046.db2.gz AWTLLSORQZLCOJ-ZOBUZTSGSA-N 1 2 359.470 2.814 20 30 FFEDLO COc1cc(C)c([C@H](C)NC(=O)C[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1OC ZINC000602977422 520003049 /nfs/dbraw/zinc/00/30/49/520003049.db2.gz AWTLLSORQZLCOJ-ZOBUZTSGSA-N 1 2 359.470 2.814 20 30 FFEDLO COC[C@H](CC(C)(C)C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594556189 520024554 /nfs/dbraw/zinc/02/45/54/520024554.db2.gz UVQFXLAREJOCGW-IBGZPJMESA-N 1 2 372.513 2.837 20 30 FFEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cnc(C3CC3)o2)CC1 ZINC000600106270 520050353 /nfs/dbraw/zinc/05/03/53/520050353.db2.gz DCEALZLXUPUGLI-UHFFFAOYSA-N 1 2 365.393 2.994 20 30 FFEDLO Cc1cc(N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000591823770 520052960 /nfs/dbraw/zinc/05/29/60/520052960.db2.gz QRZPOKHCRNQCPZ-KRWDZBQOSA-N 1 2 356.451 2.672 20 30 FFEDLO N#Cc1cc(F)cc(NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)c1 ZINC000603080630 520068821 /nfs/dbraw/zinc/06/88/21/520068821.db2.gz KODRNMHRSDCEJO-UHFFFAOYSA-N 1 2 359.430 2.894 20 30 FFEDLO N#Cc1cc(F)cc(NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)c1 ZINC000603080630 520068830 /nfs/dbraw/zinc/06/88/30/520068830.db2.gz KODRNMHRSDCEJO-UHFFFAOYSA-N 1 2 359.430 2.894 20 30 FFEDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1sc3ccc(C#N)cc3c1C)CC2 ZINC000594771059 520147749 /nfs/dbraw/zinc/14/77/49/520147749.db2.gz FJROUFUYLGWYPG-UHFFFAOYSA-N 1 2 372.475 2.791 20 30 FFEDLO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3ccncc3C#N)CC2)cs1 ZINC000592071010 520166441 /nfs/dbraw/zinc/16/64/41/520166441.db2.gz CBLAUDZTHUNAAT-OAHLLOKOSA-N 1 2 371.510 2.825 20 30 FFEDLO CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3ccncc3C#N)CC2)cs1 ZINC000592071010 520166445 /nfs/dbraw/zinc/16/64/45/520166445.db2.gz CBLAUDZTHUNAAT-OAHLLOKOSA-N 1 2 371.510 2.825 20 30 FFEDLO Cc1ccn2cc(CNC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)[nH+]c2c1 ZINC000609110069 520193346 /nfs/dbraw/zinc/19/33/46/520193346.db2.gz XEAYEOWQKHPDMR-IBGZPJMESA-N 1 2 359.433 2.800 20 30 FFEDLO C[C@H]1CN(c2ccc(CNc3c(C#N)cnn3-c3ccccc3)c[nH+]2)CCO1 ZINC000603284955 520196256 /nfs/dbraw/zinc/19/62/56/520196256.db2.gz XBJHWFVPEANRRW-INIZCTEOSA-N 1 2 374.448 2.976 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccc(O)cc3CC2)c(C#N)c1C ZINC000609133393 520201878 /nfs/dbraw/zinc/20/18/78/520201878.db2.gz WDEKNHLUSHANPZ-CYBMUJFWSA-N 1 2 353.422 2.902 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCc3ccc(O)cc3CC2)c(C#N)c1C ZINC000609133393 520201885 /nfs/dbraw/zinc/20/18/85/520201885.db2.gz WDEKNHLUSHANPZ-CYBMUJFWSA-N 1 2 353.422 2.902 20 30 FFEDLO N#CCn1c(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc2ccccc21 ZINC000609160647 520215274 /nfs/dbraw/zinc/21/52/74/520215274.db2.gz LBRMIUZMYUTXNK-UHFFFAOYSA-N 1 2 359.433 2.518 20 30 FFEDLO N#CCn1c(C(=O)N2CC[NH+](Cc3ccccn3)CC2)cc2ccccc21 ZINC000609160863 520215685 /nfs/dbraw/zinc/21/56/85/520215685.db2.gz DYZBRWUXPINKLQ-UHFFFAOYSA-N 1 2 359.433 2.518 20 30 FFEDLO Cc1ccc(-c2csc(NC(=O)[C@@H](C)[N@@H+]3CC[C@@](O)(CC#N)C3)n2)cc1 ZINC000592149028 520225745 /nfs/dbraw/zinc/22/57/45/520225745.db2.gz HDWFQUJWJFJIIY-KUHUBIRLSA-N 1 2 370.478 2.796 20 30 FFEDLO Cc1ccc(-c2csc(NC(=O)[C@@H](C)[N@H+]3CC[C@@](O)(CC#N)C3)n2)cc1 ZINC000592149028 520225747 /nfs/dbraw/zinc/22/57/47/520225747.db2.gz HDWFQUJWJFJIIY-KUHUBIRLSA-N 1 2 370.478 2.796 20 30 FFEDLO CC(C)(C)C[C@H](NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccc(F)cc1 ZINC000592149654 520227735 /nfs/dbraw/zinc/22/77/35/520227735.db2.gz SZVPUBYZUJEJLM-PXNSSMCTSA-N 1 2 361.461 2.770 20 30 FFEDLO CC(C)(C)C[C@H](NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccc(F)cc1 ZINC000592149654 520227741 /nfs/dbraw/zinc/22/77/41/520227741.db2.gz SZVPUBYZUJEJLM-PXNSSMCTSA-N 1 2 361.461 2.770 20 30 FFEDLO N#Cc1cnc(N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)c(F)c1 ZINC000603418945 520257497 /nfs/dbraw/zinc/25/74/97/520257497.db2.gz JFMIDHSNZFVJGJ-UHFFFAOYSA-N 1 2 351.307 2.833 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1ccc(CC#N)cc1 ZINC000592239505 520281450 /nfs/dbraw/zinc/28/14/50/520281450.db2.gz NJTXCBFHKHSEOP-UHFFFAOYSA-N 1 2 365.437 2.614 20 30 FFEDLO N#CC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000595081017 520283770 /nfs/dbraw/zinc/28/37/70/520283770.db2.gz DLIZQSHVOOREIP-HNNXBMFYSA-N 1 2 364.405 2.965 20 30 FFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000617043698 520297571 /nfs/dbraw/zinc/29/75/71/520297571.db2.gz DCWVJWGDQHXTDZ-BPQIPLTHSA-N 1 2 360.502 2.734 20 30 FFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000617043698 520297576 /nfs/dbraw/zinc/29/75/76/520297576.db2.gz DCWVJWGDQHXTDZ-BPQIPLTHSA-N 1 2 360.502 2.734 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](CC(N)=O)C1CCCC1 ZINC000609385167 520300191 /nfs/dbraw/zinc/30/01/91/520300191.db2.gz VVQNRPZXKJSJAC-CQSZACIVSA-N 1 2 374.510 2.607 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](CC(N)=O)C1CCCC1 ZINC000609385167 520300201 /nfs/dbraw/zinc/30/02/01/520300201.db2.gz VVQNRPZXKJSJAC-CQSZACIVSA-N 1 2 374.510 2.607 20 30 FFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000603590543 520317623 /nfs/dbraw/zinc/31/76/23/520317623.db2.gz VWNUJASVWOYOTF-UHFFFAOYSA-N 1 2 353.382 2.654 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3nc4c(s3)CCC4)CC2)cc1 ZINC000603648958 520336225 /nfs/dbraw/zinc/33/62/25/520336225.db2.gz DCYRCDZDWQMMTG-UHFFFAOYSA-N 1 2 367.478 2.853 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)NC[C@H](c2ccccc2)C(C)C)CC1 ZINC000609539360 520349452 /nfs/dbraw/zinc/34/94/52/520349452.db2.gz YLBXKKBCLQKFIP-SFTDATJTSA-N 1 2 370.541 2.708 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)c(C#N)c1C ZINC000603834224 520370860 /nfs/dbraw/zinc/37/08/60/520370860.db2.gz MCRKWKPKNAHGKO-OAHLLOKOSA-N 1 2 353.426 2.685 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](c3ccnc(C)n3)C2)c(C#N)c1C ZINC000603834224 520370867 /nfs/dbraw/zinc/37/08/67/520370867.db2.gz MCRKWKPKNAHGKO-OAHLLOKOSA-N 1 2 353.426 2.685 20 30 FFEDLO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000609615604 520380573 /nfs/dbraw/zinc/38/05/73/520380573.db2.gz GOSHJFVOEGTWCO-WFASDCNBSA-N 1 2 350.344 2.844 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000592522105 520437742 /nfs/dbraw/zinc/43/77/42/520437742.db2.gz HUPRPEVIKXOCDA-AEFFLSMTSA-N 1 2 350.846 2.748 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000592522105 520437746 /nfs/dbraw/zinc/43/77/46/520437746.db2.gz HUPRPEVIKXOCDA-AEFFLSMTSA-N 1 2 350.846 2.748 20 30 FFEDLO C[C@H]1C[N@H+](CCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CCO1 ZINC000609990312 520497584 /nfs/dbraw/zinc/49/75/84/520497584.db2.gz JLNBXFWPZJPWIE-INIZCTEOSA-N 1 2 364.449 2.752 20 30 FFEDLO C[C@H]1C[N@@H+](CCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CCO1 ZINC000609990312 520497587 /nfs/dbraw/zinc/49/75/87/520497587.db2.gz JLNBXFWPZJPWIE-INIZCTEOSA-N 1 2 364.449 2.752 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@@H](CO)C1 ZINC000609993557 520499397 /nfs/dbraw/zinc/49/93/97/520499397.db2.gz ZENRIMDSCRLFKH-ZIAGYGMSSA-N 1 2 361.511 2.920 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@@H](CO)C1 ZINC000609993557 520499409 /nfs/dbraw/zinc/49/94/09/520499409.db2.gz ZENRIMDSCRLFKH-ZIAGYGMSSA-N 1 2 361.511 2.920 20 30 FFEDLO C[C@@]1(C#N)CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000595501099 520511433 /nfs/dbraw/zinc/51/14/33/520511433.db2.gz SORKGDFAUBCSQC-KUHUBIRLSA-N 1 2 362.424 2.874 20 30 FFEDLO C[C@@]1(C#N)CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000595501099 520511445 /nfs/dbraw/zinc/51/14/45/520511445.db2.gz SORKGDFAUBCSQC-KUHUBIRLSA-N 1 2 362.424 2.874 20 30 FFEDLO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](CC#N)C1)c1c(F)cccc1F ZINC000595551677 520546850 /nfs/dbraw/zinc/54/68/50/520546850.db2.gz XXEZIUGOPICDTH-CZUORRHYSA-N 1 2 350.413 2.903 20 30 FFEDLO Cc1cccc2[nH+]c(CCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cn21 ZINC000592746288 520556148 /nfs/dbraw/zinc/55/61/48/520556148.db2.gz TVRAHZMMRJHCFC-FQEVSTJZSA-N 1 2 370.453 2.563 20 30 FFEDLO CN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(C#N)cc1F ZINC000610153717 520562090 /nfs/dbraw/zinc/56/20/90/520562090.db2.gz MSFDTCQPFRDXPA-LJQANCHMSA-N 1 2 353.397 2.561 20 30 FFEDLO CN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(C#N)cc1F ZINC000610153717 520562094 /nfs/dbraw/zinc/56/20/94/520562094.db2.gz MSFDTCQPFRDXPA-LJQANCHMSA-N 1 2 353.397 2.561 20 30 FFEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Br)cc1F ZINC000604438932 520563552 /nfs/dbraw/zinc/56/35/52/520563552.db2.gz HVTCDLHVYYTQLE-INIZCTEOSA-N 1 2 368.250 2.828 20 30 FFEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Br)cc1F ZINC000604438932 520563558 /nfs/dbraw/zinc/56/35/58/520563558.db2.gz HVTCDLHVYYTQLE-INIZCTEOSA-N 1 2 368.250 2.828 20 30 FFEDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)n(-c2ccccc2F)n1 ZINC000595620305 520599681 /nfs/dbraw/zinc/59/96/81/520599681.db2.gz LQQJNFXKWNGVHH-HNNXBMFYSA-N 1 2 355.417 2.884 20 30 FFEDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)n(-c2ccccc2F)n1 ZINC000595620305 520599686 /nfs/dbraw/zinc/59/96/86/520599686.db2.gz LQQJNFXKWNGVHH-HNNXBMFYSA-N 1 2 355.417 2.884 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc1[N+](=O)[O-] ZINC000595631661 520609723 /nfs/dbraw/zinc/60/97/23/520609723.db2.gz HGZYMWIXTMXBME-UHFFFAOYSA-N 1 2 358.423 2.859 20 30 FFEDLO COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000610390005 520661892 /nfs/dbraw/zinc/66/18/92/520661892.db2.gz JOXQBNLEWPGSDY-AWEZNQCLSA-N 1 2 361.467 2.658 20 30 FFEDLO COC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000610390005 520661899 /nfs/dbraw/zinc/66/18/99/520661899.db2.gz JOXQBNLEWPGSDY-AWEZNQCLSA-N 1 2 361.467 2.658 20 30 FFEDLO COc1ncccc1C[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595730582 520677448 /nfs/dbraw/zinc/67/74/48/520677448.db2.gz CITGUYAIYDMCJI-UHFFFAOYSA-N 1 2 374.448 2.674 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000593055656 520714122 /nfs/dbraw/zinc/71/41/22/520714122.db2.gz YFRMOKIDBQVXDC-UHFFFAOYSA-N 1 2 355.335 2.541 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000610491369 520714242 /nfs/dbraw/zinc/71/42/42/520714242.db2.gz LRLGRMJKAWEKDK-UHFFFAOYSA-N 1 2 362.355 2.863 20 30 FFEDLO Cc1nnc(N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)c(C#N)c1C ZINC000610541620 520732093 /nfs/dbraw/zinc/73/20/93/520732093.db2.gz RKYYTODMRQJTBO-UHFFFAOYSA-N 1 2 362.359 2.706 20 30 FFEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000598612739 520742997 /nfs/dbraw/zinc/74/29/97/520742997.db2.gz AJWHUQFDIWTJJQ-AWEZNQCLSA-N 1 2 353.260 2.944 20 30 FFEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000598612739 520742999 /nfs/dbraw/zinc/74/29/99/520742999.db2.gz AJWHUQFDIWTJJQ-AWEZNQCLSA-N 1 2 353.260 2.944 20 30 FFEDLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595835200 520757434 /nfs/dbraw/zinc/75/74/34/520757434.db2.gz PNQNVTIBXLPASP-FXAWDEMLSA-N 1 2 357.454 2.603 20 30 FFEDLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595835200 520757437 /nfs/dbraw/zinc/75/74/37/520757437.db2.gz PNQNVTIBXLPASP-FXAWDEMLSA-N 1 2 357.454 2.603 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC2(COC2)C1 ZINC000595835660 520758042 /nfs/dbraw/zinc/75/80/42/520758042.db2.gz VMRYFUROMDSXOL-ZDUSSCGKSA-N 1 2 359.495 2.938 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC2(COC2)C1 ZINC000595835660 520758044 /nfs/dbraw/zinc/75/80/44/520758044.db2.gz VMRYFUROMDSXOL-ZDUSSCGKSA-N 1 2 359.495 2.938 20 30 FFEDLO COc1nc(C)cc(C)c1C[N@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000598650673 520761265 /nfs/dbraw/zinc/76/12/65/520761265.db2.gz VXRRFPWBLIZWII-IBGZPJMESA-N 1 2 364.449 2.816 20 30 FFEDLO COc1nc(C)cc(C)c1C[N@@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000598650673 520761272 /nfs/dbraw/zinc/76/12/72/520761272.db2.gz VXRRFPWBLIZWII-IBGZPJMESA-N 1 2 364.449 2.816 20 30 FFEDLO Cc1sc(NC(=O)C[NH2+][C@@H](CO)c2ccc(F)cc2F)c(C#N)c1C ZINC000595867376 520779386 /nfs/dbraw/zinc/77/93/86/520779386.db2.gz MENWRUTUXSCMBO-HNNXBMFYSA-N 1 2 365.405 2.777 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000593155639 520784538 /nfs/dbraw/zinc/78/45/38/520784538.db2.gz MUECHFJOJVVNLT-OAQYLSRUSA-N 1 2 365.481 2.850 20 30 FFEDLO N#CC1(C(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)CC2(CC2)C1 ZINC000601457160 520795457 /nfs/dbraw/zinc/79/54/57/520795457.db2.gz LFEWBFDUMBRJFK-UHFFFAOYSA-N 1 2 364.371 2.833 20 30 FFEDLO N#CC1CCC(CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC1 ZINC000601604075 520861960 /nfs/dbraw/zinc/86/19/60/520861960.db2.gz HVKKNIRCOWRWBT-UHFFFAOYSA-N 1 2 373.526 2.764 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(c2cc(C)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000596079666 520899234 /nfs/dbraw/zinc/89/92/34/520899234.db2.gz VMAHYIYFHCBBAR-UHFFFAOYSA-N 1 2 355.398 2.702 20 30 FFEDLO N#CCc1cccc2c1CCN(C(=O)NCC[NH+]1Cc3ccccc3C1)C2 ZINC000598979191 520957887 /nfs/dbraw/zinc/95/78/87/520957887.db2.gz LFTRDODGKADJDJ-UHFFFAOYSA-N 1 2 360.461 2.836 20 30 FFEDLO CN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)[C@H]1CCC[C@H]1C#N ZINC000601813084 520964366 /nfs/dbraw/zinc/96/43/66/520964366.db2.gz UHXZSHCHXKFFFP-WMZOPIPTSA-N 1 2 365.437 2.676 20 30 FFEDLO CCc1nc(C#N)cc(N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)n1 ZINC000596245355 520992231 /nfs/dbraw/zinc/99/22/31/520992231.db2.gz XZKOLHDIYVCXDH-INIZCTEOSA-N 1 2 364.453 2.564 20 30 FFEDLO COC(=O)c1cccc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)c1C#N ZINC000611127373 520998597 /nfs/dbraw/zinc/99/85/97/520998597.db2.gz NCQCHUXYOSKJKL-UHFFFAOYSA-N 1 2 351.406 2.852 20 30 FFEDLO CN1CCCC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2Br)C1=O ZINC000601968363 521046793 /nfs/dbraw/zinc/04/67/93/521046793.db2.gz FBTHAXBSQFXRRO-OAHLLOKOSA-N 1 2 350.260 2.763 20 30 FFEDLO CN1CCCC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2Br)C1=O ZINC000601968363 521046800 /nfs/dbraw/zinc/04/68/00/521046800.db2.gz FBTHAXBSQFXRRO-OAHLLOKOSA-N 1 2 350.260 2.763 20 30 FFEDLO CCc1nn(C)c(CC)c1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000611260085 521063331 /nfs/dbraw/zinc/06/33/31/521063331.db2.gz PJOTVLWGHUJUKF-UHFFFAOYSA-N 1 2 368.485 2.604 20 30 FFEDLO Cc1ccc2[nH+]cc(CN3CCN(c4oc(C5CC5)nc4C#N)CC3)n2c1 ZINC000611260046 521064604 /nfs/dbraw/zinc/06/46/04/521064604.db2.gz MABLPWMPWKMPAC-UHFFFAOYSA-N 1 2 362.437 2.702 20 30 FFEDLO COCC[N@H+](CCC#N)CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000611315963 521094669 /nfs/dbraw/zinc/09/46/69/521094669.db2.gz RTRBBWWQISDQSR-UHFFFAOYSA-N 1 2 359.499 2.557 20 30 FFEDLO COCC[N@@H+](CCC#N)CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000611315963 521094673 /nfs/dbraw/zinc/09/46/73/521094673.db2.gz RTRBBWWQISDQSR-UHFFFAOYSA-N 1 2 359.499 2.557 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1ccsc1C#N ZINC000593592571 521096200 /nfs/dbraw/zinc/09/62/00/521096200.db2.gz VRJKSWVWLYCQED-GFCCVEGCSA-N 1 2 350.469 2.752 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)CCOCC1 ZINC000599284036 521127983 /nfs/dbraw/zinc/12/79/83/521127983.db2.gz KYZWFNLSZOJYNR-QAPCUYQASA-N 1 2 364.873 2.785 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)CCOCC1 ZINC000599284036 521127991 /nfs/dbraw/zinc/12/79/91/521127991.db2.gz KYZWFNLSZOJYNR-QAPCUYQASA-N 1 2 364.873 2.785 20 30 FFEDLO N#CCCN(Cc1ccccn1)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602092154 521136474 /nfs/dbraw/zinc/13/64/74/521136474.db2.gz RSZPNVZOEIMRJD-CQSZACIVSA-N 1 2 351.332 2.714 20 30 FFEDLO Cc1ccc(C[NH+]2CCN(Cc3noc(C(C)(C)C)n3)CC2)cc1C#N ZINC000599325227 521152067 /nfs/dbraw/zinc/15/20/67/521152067.db2.gz AESMTMWWNZKIKK-UHFFFAOYSA-N 1 2 353.470 2.865 20 30 FFEDLO N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000602145713 521171371 /nfs/dbraw/zinc/17/13/71/521171371.db2.gz VTDCYRYEEZISQO-NUJGCVRESA-N 1 2 369.856 2.576 20 30 FFEDLO N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000602145713 521171381 /nfs/dbraw/zinc/17/13/81/521171381.db2.gz VTDCYRYEEZISQO-NUJGCVRESA-N 1 2 369.856 2.576 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCc2cc(F)c(C#N)c(F)c2)cc1 ZINC000602149953 521174651 /nfs/dbraw/zinc/17/46/51/521174651.db2.gz ZPLRPVUCXHIXRY-IBGZPJMESA-N 1 2 371.387 2.736 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCc2cc(F)c(C#N)c(F)c2)cc1 ZINC000602149953 521174658 /nfs/dbraw/zinc/17/46/58/521174658.db2.gz ZPLRPVUCXHIXRY-IBGZPJMESA-N 1 2 371.387 2.736 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)c(F)c1 ZINC000602151386 521174837 /nfs/dbraw/zinc/17/48/37/521174837.db2.gz FFWKDZJGBHPMCI-HUUCEWRRSA-N 1 2 354.385 2.594 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)c(F)c1 ZINC000602151386 521174839 /nfs/dbraw/zinc/17/48/39/521174839.db2.gz FFWKDZJGBHPMCI-HUUCEWRRSA-N 1 2 354.385 2.594 20 30 FFEDLO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@H+]1CC=CCC1)CCCC2 ZINC000611517616 521197973 /nfs/dbraw/zinc/19/79/73/521197973.db2.gz YMRBEUCGXXXNJF-INIZCTEOSA-N 1 2 368.481 2.618 20 30 FFEDLO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@@H+]1CC=CCC1)CCCC2 ZINC000611517616 521197980 /nfs/dbraw/zinc/19/79/80/521197980.db2.gz YMRBEUCGXXXNJF-INIZCTEOSA-N 1 2 368.481 2.618 20 30 FFEDLO N#Cc1c(F)cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1F ZINC000596665431 521201110 /nfs/dbraw/zinc/20/11/10/521201110.db2.gz ZTKFXRJVGMZUBU-UHFFFAOYSA-N 1 2 357.360 2.921 20 30 FFEDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000611554225 521217258 /nfs/dbraw/zinc/21/72/58/521217258.db2.gz IDXINZBKKMSYJV-TZMCWYRMSA-N 1 2 360.401 2.995 20 30 FFEDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000611554225 521217259 /nfs/dbraw/zinc/21/72/59/521217259.db2.gz IDXINZBKKMSYJV-TZMCWYRMSA-N 1 2 360.401 2.995 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(CC(=O)N(C)C)CC2)c1C#N ZINC000611575632 521227935 /nfs/dbraw/zinc/22/79/35/521227935.db2.gz RSVNLIGXXRAWLG-UHFFFAOYSA-N 1 2 365.481 2.743 20 30 FFEDLO COc1ccc(Nc2cc(NC3CCN(CC#N)CC3)[nH+]cn2)c(OC)c1 ZINC000611582480 521236546 /nfs/dbraw/zinc/23/65/46/521236546.db2.gz AOTBHCJUQKQKIM-UHFFFAOYSA-N 1 2 368.441 2.637 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CCC[C@]2(Cc2ccccc2)C(=O)OCC)nn1 ZINC000593972568 521323398 /nfs/dbraw/zinc/32/33/98/521323398.db2.gz FKLPVUATYJXTPJ-NRFANRHFSA-N 1 2 368.481 2.995 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@]2(Cc2ccccc2)C(=O)OCC)nn1 ZINC000593972568 521323407 /nfs/dbraw/zinc/32/34/07/521323407.db2.gz FKLPVUATYJXTPJ-NRFANRHFSA-N 1 2 368.481 2.995 20 30 FFEDLO CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599675001 521389461 /nfs/dbraw/zinc/38/94/61/521389461.db2.gz GCSPLVDSVUNKFP-UHFFFAOYSA-N 1 2 362.433 2.708 20 30 FFEDLO CC(=O)Nc1cccc(NC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599675001 521389466 /nfs/dbraw/zinc/38/94/66/521389466.db2.gz GCSPLVDSVUNKFP-UHFFFAOYSA-N 1 2 362.433 2.708 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)NCCc1c(F)cccc1F)C2 ZINC000599677691 521392792 /nfs/dbraw/zinc/39/27/92/521392792.db2.gz CCFIYXWIFLUBJK-UHFFFAOYSA-N 1 2 369.415 2.748 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)NCCc1c(F)cccc1F)C2 ZINC000599677691 521392802 /nfs/dbraw/zinc/39/28/02/521392802.db2.gz CCFIYXWIFLUBJK-UHFFFAOYSA-N 1 2 369.415 2.748 20 30 FFEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000599685865 521401383 /nfs/dbraw/zinc/40/13/83/521401383.db2.gz ZECHXOSBSDHMOF-KRWDZBQOSA-N 1 2 351.362 2.739 20 30 FFEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000599685865 521401385 /nfs/dbraw/zinc/40/13/85/521401385.db2.gz ZECHXOSBSDHMOF-KRWDZBQOSA-N 1 2 351.362 2.739 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000611952467 521405589 /nfs/dbraw/zinc/40/55/89/521405589.db2.gz NPGQZQMQCFMOCE-UHFFFAOYSA-N 1 2 354.841 2.864 20 30 FFEDLO COc1cccc([C@@H](NC(=O)c2ccc(C#N)c(O)c2)c2[nH+]ccn2C)c1 ZINC000615442820 521406379 /nfs/dbraw/zinc/40/63/79/521406379.db2.gz RCHULSRFSASAHA-GOSISDBHSA-N 1 2 362.389 2.525 20 30 FFEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000599725899 521430081 /nfs/dbraw/zinc/43/00/81/521430081.db2.gz JZBVRBOVIMDLKN-KRWDZBQOSA-N 1 2 366.421 2.803 20 30 FFEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000599725899 521430094 /nfs/dbraw/zinc/43/00/94/521430094.db2.gz JZBVRBOVIMDLKN-KRWDZBQOSA-N 1 2 366.421 2.803 20 30 FFEDLO Cc1cc(NCCNC(=O)Nc2cc(C#N)ccc2C)nc(C(C)C)[nH+]1 ZINC000599728746 521434201 /nfs/dbraw/zinc/43/42/01/521434201.db2.gz NXNXNDIUERTKPM-UHFFFAOYSA-N 1 2 352.442 2.744 20 30 FFEDLO Cc1c(C[N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cnn1C ZINC000619183456 521438190 /nfs/dbraw/zinc/43/81/90/521438190.db2.gz PFJKNFNDSVSKPN-UHFFFAOYSA-N 1 2 353.470 2.724 20 30 FFEDLO Cc1c(C[N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cnn1C ZINC000619183456 521438196 /nfs/dbraw/zinc/43/81/96/521438196.db2.gz PFJKNFNDSVSKPN-UHFFFAOYSA-N 1 2 353.470 2.724 20 30 FFEDLO COc1cc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)c(F)cc1C#N ZINC000599820295 521491364 /nfs/dbraw/zinc/49/13/64/521491364.db2.gz UAOJCYMRRTUPIQ-UHFFFAOYSA-N 1 2 357.389 2.603 20 30 FFEDLO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@](C)(C#N)C2)cc1OC ZINC000612166924 521516296 /nfs/dbraw/zinc/51/62/96/521516296.db2.gz YMAMVGFTABSHDK-DYESRHJHSA-N 1 2 371.481 2.993 20 30 FFEDLO COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@](C)(C#N)C2)cc1OC ZINC000612166924 521516302 /nfs/dbraw/zinc/51/63/02/521516302.db2.gz YMAMVGFTABSHDK-DYESRHJHSA-N 1 2 371.481 2.993 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1F ZINC000612359214 521591474 /nfs/dbraw/zinc/59/14/74/521591474.db2.gz HGIVZNXZKSESHQ-LPHOPBHVSA-N 1 2 355.417 2.984 20 30 FFEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@@]2(CCOC2)O1 ZINC000619516227 521604857 /nfs/dbraw/zinc/60/48/57/521604857.db2.gz GVIPCWQZWXYRRQ-MAUKXSAKSA-N 1 2 352.381 2.930 20 30 FFEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@@]2(CCOC2)O1 ZINC000619516227 521604859 /nfs/dbraw/zinc/60/48/59/521604859.db2.gz GVIPCWQZWXYRRQ-MAUKXSAKSA-N 1 2 352.381 2.930 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1CNC(C)=O ZINC000626153982 521974522 /nfs/dbraw/zinc/97/45/22/521974522.db2.gz BYPNBMVWBHWYFD-INIZCTEOSA-N 1 2 361.511 2.894 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1CNC(C)=O ZINC000626153982 521974527 /nfs/dbraw/zinc/97/45/27/521974527.db2.gz BYPNBMVWBHWYFD-INIZCTEOSA-N 1 2 361.511 2.894 20 30 FFEDLO C=CC[C@H]1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)C1 ZINC000623457047 522037519 /nfs/dbraw/zinc/03/75/19/522037519.db2.gz YFRWQKBJBHYYFD-BBWFWOEESA-N 1 2 358.486 2.803 20 30 FFEDLO C=CCOc1c(Cl)cc(C[NH2+]Cc2nc(C(N)=O)cs2)cc1OC ZINC000623571400 522128895 /nfs/dbraw/zinc/12/88/95/522128895.db2.gz VKXOEOLQYHRVNE-UHFFFAOYSA-N 1 2 367.858 2.759 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2[nH]cc(CC)[nH+]2)cc1 ZINC000635415658 522238275 /nfs/dbraw/zinc/23/82/75/522238275.db2.gz UZJUKRMYSLIGAW-UHFFFAOYSA-N 1 2 352.438 2.968 20 30 FFEDLO C=CCc1cc(CNC(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)cc(OC)c1OC ZINC000624932980 523035191 /nfs/dbraw/zinc/03/51/91/523035191.db2.gz MYFQDWKHGKNVKG-QGZVFWFLSA-N 1 2 369.465 2.816 20 30 FFEDLO C=C(C)C[C@H]1NC(=O)N(Cc2[nH+]ccn2CCCc2ccccc2)C1=O ZINC000630979860 523289019 /nfs/dbraw/zinc/28/90/19/523289019.db2.gz UMTQSRBSBSSVBB-QGZVFWFLSA-N 1 2 352.438 2.903 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc1OC ZINC000628291992 523467048 /nfs/dbraw/zinc/46/70/48/523467048.db2.gz GNBJKUAAQPOHHN-CYBMUJFWSA-N 1 2 373.902 2.780 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc1OC ZINC000628291992 523467057 /nfs/dbraw/zinc/46/70/57/523467057.db2.gz GNBJKUAAQPOHHN-CYBMUJFWSA-N 1 2 373.902 2.780 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCCN3C(=O)[O-])CC2)cc1 ZINC000833972287 606007810 /nfs/dbraw/zinc/00/78/10/606007810.db2.gz YXPFSSCBLLIBQY-IBGZPJMESA-N 1 2 356.470 2.645 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000819745452 606629080 /nfs/dbraw/zinc/62/90/80/606629080.db2.gz DLGUZHLAAOGFCS-QZTJIDSGSA-N 1 2 366.469 2.603 20 30 FFEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000819745452 606629082 /nfs/dbraw/zinc/62/90/82/606629082.db2.gz DLGUZHLAAOGFCS-QZTJIDSGSA-N 1 2 366.469 2.603 20 30 FFEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccc(-c2nn[nH]n2)c1 ZINC000824633332 608480741 /nfs/dbraw/zinc/48/07/41/608480741.db2.gz LBBDFONZJGPWRS-GFCCVEGCSA-N 1 2 372.392 2.639 20 30 FFEDLO C#CC[C@H]([NH2+]Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)c1ccccc1 ZINC000823839009 608516744 /nfs/dbraw/zinc/51/67/44/608516744.db2.gz YHBDXSKJGPKECV-KRWDZBQOSA-N 1 2 371.404 2.771 20 30 FFEDLO N#Cc1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164666175 719491892 /nfs/dbraw/zinc/49/18/92/719491892.db2.gz CFKGMXKWTFATHE-UHFFFAOYSA-N 1 2 366.440 2.964 20 30 FFEDLO N#Cc1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164666175 719491897 /nfs/dbraw/zinc/49/18/97/719491897.db2.gz CFKGMXKWTFATHE-UHFFFAOYSA-N 1 2 366.440 2.964 20 30 FFEDLO C=CC[NH+]1CCN(C(F)(F)COC(=O)Nc2cccnc2Cl)CC1 ZINC001165034902 721873041 /nfs/dbraw/zinc/87/30/41/721873041.db2.gz PXFSKBXWRDSFGV-UHFFFAOYSA-N 1 2 360.792 2.680 20 30 FFEDLO N#Cc1cc(F)c(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)c(F)c1 ZINC000125585334 728685117 /nfs/dbraw/zinc/68/51/17/728685117.db2.gz BXNUFLZHXFPEES-UHFFFAOYSA-N 1 2 361.329 2.790 20 30 FFEDLO C#CCNC(=O)[C@@H](C)[N@H+](CCC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000128246141 728708309 /nfs/dbraw/zinc/70/83/09/728708309.db2.gz VWXWFTHOWYHERQ-GFCCVEGCSA-N 1 2 370.280 2.782 20 30 FFEDLO C#CCNC(=O)[C@@H](C)[N@@H+](CCC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000128246141 728708310 /nfs/dbraw/zinc/70/83/10/728708310.db2.gz VWXWFTHOWYHERQ-GFCCVEGCSA-N 1 2 370.280 2.782 20 30 FFEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000137642958 728740385 /nfs/dbraw/zinc/74/03/85/728740385.db2.gz ZEYHKQIXLQZBJZ-UHFFFAOYSA-N 1 2 353.209 2.858 20 30 FFEDLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CCC[C@@H]1CO ZINC000329494906 729797615 /nfs/dbraw/zinc/79/76/15/729797615.db2.gz DILZCVLTVAGXJN-CJNGLKHVSA-N 1 2 369.868 2.987 20 30 FFEDLO CC#CC[C@@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000641768933 730250923 /nfs/dbraw/zinc/25/09/23/730250923.db2.gz MBISTWCYQFMISO-HNNXBMFYSA-N 1 2 361.442 2.831 20 30 FFEDLO C#CC[C@@H](CCOC)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000860302577 730499823 /nfs/dbraw/zinc/49/98/23/730499823.db2.gz ZCLNAYOKYBCUSM-AWEZNQCLSA-N 1 2 350.488 2.679 20 30 FFEDLO C[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1cccc(C#N)c1O ZINC000866354254 731051457 /nfs/dbraw/zinc/05/14/57/731051457.db2.gz LUICQKIJWLYBMK-HNNXBMFYSA-N 1 2 358.463 2.572 20 30 FFEDLO C=C(Cl)C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(=O)OCC ZINC000870028081 731463970 /nfs/dbraw/zinc/46/39/70/731463970.db2.gz CNYPXTRXNUHHET-MRXNPFEDSA-N 1 2 361.829 2.736 20 30 FFEDLO C=C(Cl)C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(=O)OCC ZINC000870028080 731463987 /nfs/dbraw/zinc/46/39/87/731463987.db2.gz CNYPXTRXNUHHET-INIZCTEOSA-N 1 2 361.829 2.736 20 30 FFEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1=S ZINC000872785198 731831216 /nfs/dbraw/zinc/83/12/16/731831216.db2.gz YYWFWEGSRIGSME-GASCZTMLSA-N 1 2 360.458 2.942 20 30 FFEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1=S ZINC000872785198 731831219 /nfs/dbraw/zinc/83/12/19/731831219.db2.gz YYWFWEGSRIGSME-GASCZTMLSA-N 1 2 360.458 2.942 20 30 FFEDLO N#Cc1ccc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)nc1 ZINC000780658126 738566458 /nfs/dbraw/zinc/56/64/58/738566458.db2.gz GLJSPGUBKDJBQT-UHFFFAOYSA-N 1 2 356.455 2.717 20 30 FFEDLO C=C[C@@H]1CCCCN1C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000876122409 732217335 /nfs/dbraw/zinc/21/73/35/732217335.db2.gz NMTKROBVUMOINN-MRXNPFEDSA-N 1 2 351.491 2.543 20 30 FFEDLO COC(=O)c1ccc(C[NH2+]Cc2cc(C#N)cnc2Cl)nc1C1CC1 ZINC000877528598 732381013 /nfs/dbraw/zinc/38/10/13/732381013.db2.gz FMBUSUXJGLQLKB-UHFFFAOYSA-N 1 2 356.813 2.955 20 30 FFEDLO CC[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1cccc(C#N)c1O ZINC000926497853 738621446 /nfs/dbraw/zinc/62/14/46/738621446.db2.gz BOPPGOBDTXSPSX-PBHICJAKSA-N 1 2 356.447 2.876 20 30 FFEDLO C#CCC1(O)CC[NH+](Cc2c(Br)cccc2C(=O)OC)CC1 ZINC000880483673 732913917 /nfs/dbraw/zinc/91/39/17/732913917.db2.gz IVHBYXKVVJHCTF-UHFFFAOYSA-N 1 2 366.255 2.586 20 30 FFEDLO CC#CC[NH2+]Cc1cn(Cc2c(C)nn(-c3ccccc3)c2Cl)nn1 ZINC000881098526 733011115 /nfs/dbraw/zinc/01/11/15/733011115.db2.gz RVECQMRQGSITJZ-UHFFFAOYSA-N 1 2 354.845 2.587 20 30 FFEDLO C=CCC1(O)CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000886780273 733833991 /nfs/dbraw/zinc/83/39/91/733833991.db2.gz HLECTWOQRYLGAE-INIZCTEOSA-N 1 2 352.837 2.987 20 30 FFEDLO C=C(C)[C@@H](CO)Sc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000677130380 733916156 /nfs/dbraw/zinc/91/61/56/733916156.db2.gz DUWYYCOIURMCQM-QGZVFWFLSA-N 1 2 358.511 2.951 20 30 FFEDLO C[N@@H+]1CCO[C@H]([C@H](NCc2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000783294841 738798821 /nfs/dbraw/zinc/79/88/21/738798821.db2.gz WZFICMJNGJEXFI-RBUKOAKNSA-N 1 2 356.857 2.768 20 30 FFEDLO C[N@H+]1CCO[C@H]([C@H](NCc2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000783294841 738798822 /nfs/dbraw/zinc/79/88/22/738798822.db2.gz WZFICMJNGJEXFI-RBUKOAKNSA-N 1 2 356.857 2.768 20 30 FFEDLO CN1CCO[C@H]([C@H]([NH2+]Cc2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000783294841 738798824 /nfs/dbraw/zinc/79/88/24/738798824.db2.gz WZFICMJNGJEXFI-RBUKOAKNSA-N 1 2 356.857 2.768 20 30 FFEDLO C=c1[nH]c(=O)[nH]c(=O)c1=C(C)[NH2+]Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000726425788 734423372 /nfs/dbraw/zinc/42/33/72/734423372.db2.gz HKZIUBHWIQOBGL-UHFFFAOYSA-N 1 2 351.288 2.923 20 30 FFEDLO C#CCNC(=O)C1CCN(c2c(Cl)c[nH+]c3ccc(OC)cc32)CC1 ZINC000892148704 734521702 /nfs/dbraw/zinc/52/17/02/734521702.db2.gz JZFCFDYNAZCUHS-UHFFFAOYSA-N 1 2 357.841 2.863 20 30 FFEDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccccc1SCC#N ZINC000741148994 735120981 /nfs/dbraw/zinc/12/09/81/735120981.db2.gz VICWGGAUXQLKHJ-HNNXBMFYSA-N 1 2 361.467 2.658 20 30 FFEDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccccc1SCC#N ZINC000741148994 735120984 /nfs/dbraw/zinc/12/09/84/735120984.db2.gz VICWGGAUXQLKHJ-HNNXBMFYSA-N 1 2 361.467 2.658 20 30 FFEDLO CCn1c[nH+]cc1/C=C\C(=O)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000901465358 735782309 /nfs/dbraw/zinc/78/23/09/735782309.db2.gz BMIRGQLKEXZQJP-WAYWQWQTSA-N 1 2 370.377 2.804 20 30 FFEDLO Clc1ccccc1Cn1cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)cn1 ZINC000753937153 736108012 /nfs/dbraw/zinc/10/80/12/736108012.db2.gz WLFWLTDZCZLPJP-IAGOWNOFSA-N 1 2 356.861 2.779 20 30 FFEDLO C[C@@H]1C[N@@H+](C2CC2)CC1N=Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000755892355 736286450 /nfs/dbraw/zinc/28/64/50/736286450.db2.gz GBBHUCKYCFJSOB-SNVBAGLBSA-N 1 2 361.389 2.862 20 30 FFEDLO C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000755892355 736286454 /nfs/dbraw/zinc/28/64/54/736286454.db2.gz GBBHUCKYCFJSOB-SNVBAGLBSA-N 1 2 361.389 2.862 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000759729651 736589147 /nfs/dbraw/zinc/58/91/47/736589147.db2.gz BUTJMMVZBNVFPJ-CCRNYGKSSA-N 1 2 360.523 2.667 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CCSC[C@@H]1CCO ZINC000759729651 736589149 /nfs/dbraw/zinc/58/91/49/736589149.db2.gz BUTJMMVZBNVFPJ-CCRNYGKSSA-N 1 2 360.523 2.667 20 30 FFEDLO N#CCOc1cccc(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000760266405 736625509 /nfs/dbraw/zinc/62/55/09/736625509.db2.gz WTHJVLMCMLYOQC-UHFFFAOYSA-N 1 2 355.463 2.537 20 30 FFEDLO C#CC[NH+]1CCC(C(=O)O[C@@H](Cc2cccc(Cl)c2F)C(C)=O)CC1 ZINC000768693042 737450089 /nfs/dbraw/zinc/45/00/89/737450089.db2.gz LWGVJFGVACHICT-KRWDZBQOSA-N 1 2 365.832 2.868 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)[C@@H]1CCCO1 ZINC000775352626 738085921 /nfs/dbraw/zinc/08/59/21/738085921.db2.gz YCZWRXMDCABGLS-CVEARBPZSA-N 1 2 351.237 2.845 20 30 FFEDLO C#CCOc1ccccc1C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000775635235 738108101 /nfs/dbraw/zinc/10/81/01/738108101.db2.gz ZFSHEVMOZMUIQI-QGZVFWFLSA-N 1 2 359.422 2.846 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2nc(C#N)cs2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC000932709556 739500390 /nfs/dbraw/zinc/50/03/90/739500390.db2.gz IWBJPPINJLLZFO-OLZOCXBDSA-N 1 2 350.488 2.997 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC000932709556 739500393 /nfs/dbraw/zinc/50/03/93/739500393.db2.gz IWBJPPINJLLZFO-OLZOCXBDSA-N 1 2 350.488 2.997 20 30 FFEDLO N#CC[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(F)(F)F ZINC000932922559 739538766 /nfs/dbraw/zinc/53/87/66/739538766.db2.gz MPHVQVNPBATUQT-CYBMUJFWSA-N 1 2 355.295 2.655 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000951699461 740443613 /nfs/dbraw/zinc/44/36/13/740443613.db2.gz FEJIGZFJVPGMCV-ILXRZTDVSA-N 1 2 361.313 2.696 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C)CC1 ZINC000800742835 740546968 /nfs/dbraw/zinc/54/69/68/740546968.db2.gz IVACQBSPWCADCG-UHFFFAOYSA-N 1 2 361.902 2.516 20 30 FFEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000801910648 740662716 /nfs/dbraw/zinc/66/27/16/740662716.db2.gz OKFRVYSQRMAZEV-GFCCVEGCSA-N 1 2 356.253 2.680 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1cscn1 ZINC000968861832 740723844 /nfs/dbraw/zinc/72/38/44/740723844.db2.gz TXNOHNFEBVUWGZ-KSZLIROESA-N 1 2 363.527 2.985 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1cscn1 ZINC000968861832 740723847 /nfs/dbraw/zinc/72/38/47/740723847.db2.gz TXNOHNFEBVUWGZ-KSZLIROESA-N 1 2 363.527 2.985 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1cscn1 ZINC000968861833 740724060 /nfs/dbraw/zinc/72/40/60/740724060.db2.gz TXNOHNFEBVUWGZ-KURKYZTESA-N 1 2 363.527 2.985 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1Cc1cscn1 ZINC000968861833 740724061 /nfs/dbraw/zinc/72/40/61/740724061.db2.gz TXNOHNFEBVUWGZ-KURKYZTESA-N 1 2 363.527 2.985 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cc(O)ccc2Cl)C1 ZINC000970446767 740749765 /nfs/dbraw/zinc/74/97/65/740749765.db2.gz JCQCGBFKTYFNOV-XZOAIXRZSA-N 1 2 364.873 2.573 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC000971555252 740787152 /nfs/dbraw/zinc/78/71/52/740787152.db2.gz AXBQOBAXDPREQM-BBWFWOEESA-N 1 2 363.527 2.719 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC000971555252 740787154 /nfs/dbraw/zinc/78/71/54/740787154.db2.gz AXBQOBAXDPREQM-BBWFWOEESA-N 1 2 363.527 2.719 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2ccc(Cl)nc2)CC1(C)C ZINC000975052562 740919247 /nfs/dbraw/zinc/91/92/47/740919247.db2.gz BCLKLEMHWRMXNE-PMPSAXMXSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2ccc(Cl)nc2)CC1(C)C ZINC000975052562 740919249 /nfs/dbraw/zinc/91/92/49/740919249.db2.gz BCLKLEMHWRMXNE-PMPSAXMXSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2csc(C)n2)CC1(C)C ZINC000977320056 741074627 /nfs/dbraw/zinc/07/46/27/741074627.db2.gz VESYDIZOTRDEMC-BBWFWOEESA-N 1 2 363.527 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2csc(C)n2)CC1(C)C ZINC000977320056 741074629 /nfs/dbraw/zinc/07/46/29/741074629.db2.gz VESYDIZOTRDEMC-BBWFWOEESA-N 1 2 363.527 2.759 20 30 FFEDLO N#Cc1csc(C[NH2+]CC(=O)Nc2ccc(Br)cc2)n1 ZINC000810131581 741391595 /nfs/dbraw/zinc/39/15/95/741391595.db2.gz LWPYGWCTEZBFHC-UHFFFAOYSA-N 1 2 351.229 2.506 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3OCC[C@H]3CC)CCC[C@@H]12 ZINC000991141152 741731295 /nfs/dbraw/zinc/73/12/95/741731295.db2.gz DKNJCHHHIQUHCO-AIANPOQGSA-N 1 2 371.319 2.823 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3OCC[C@H]3CC)CCC[C@@H]12 ZINC000991141152 741731296 /nfs/dbraw/zinc/73/12/96/741731296.db2.gz DKNJCHHHIQUHCO-AIANPOQGSA-N 1 2 371.319 2.823 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@H+](Cc2csc(C)n2)CC1 ZINC001001257074 742113316 /nfs/dbraw/zinc/11/33/16/742113316.db2.gz OURFWGVHKUILSX-ROUUACIJSA-N 1 2 361.511 2.681 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@@H+](Cc2csc(C)n2)CC1 ZINC001001257074 742113321 /nfs/dbraw/zinc/11/33/21/742113321.db2.gz OURFWGVHKUILSX-ROUUACIJSA-N 1 2 361.511 2.681 20 30 FFEDLO O=S(=O)(NC1CCCC1)c1ccc(NNC=CC(F)(F)F)[nH+]c1 ZINC000817323015 742124405 /nfs/dbraw/zinc/12/44/05/742124405.db2.gz FTQWWJSXUYGMEF-UHFFFAOYSA-N 1 2 350.366 2.653 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001007360159 742327042 /nfs/dbraw/zinc/32/70/42/742327042.db2.gz MPUMHRXJNBPVOD-ZACQAIPSSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001007360159 742327048 /nfs/dbraw/zinc/32/70/48/742327048.db2.gz MPUMHRXJNBPVOD-ZACQAIPSSA-N 1 2 363.889 2.797 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccnc(Cl)n2)cc1 ZINC000819495248 742398289 /nfs/dbraw/zinc/39/82/89/742398289.db2.gz VCNFABBCLYDUDZ-AWEZNQCLSA-N 1 2 361.833 2.541 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccnc(Cl)n2)cc1 ZINC000819495248 742398294 /nfs/dbraw/zinc/39/82/94/742398294.db2.gz VCNFABBCLYDUDZ-AWEZNQCLSA-N 1 2 361.833 2.541 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1csc(CC)n1 ZINC001024662251 742733501 /nfs/dbraw/zinc/73/35/01/742733501.db2.gz VDUJSSOJABHHMZ-BBWFWOEESA-N 1 2 363.527 2.767 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1csc(CC)n1 ZINC001024662251 742733503 /nfs/dbraw/zinc/73/35/03/742733503.db2.gz VDUJSSOJABHHMZ-BBWFWOEESA-N 1 2 363.527 2.767 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(Cl)n1 ZINC001028197406 742790411 /nfs/dbraw/zinc/79/04/11/742790411.db2.gz HGQDDPUZDXJOFL-RYRKJORJSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(Cl)n1 ZINC001028197406 742790415 /nfs/dbraw/zinc/79/04/15/742790415.db2.gz HGQDDPUZDXJOFL-RYRKJORJSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cc2Cl)C1 ZINC001031987502 742853279 /nfs/dbraw/zinc/85/32/79/742853279.db2.gz QLPPNIKPGFVLEC-WBVHZDCISA-N 1 2 352.837 2.618 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2nccs2)C1 ZINC001034436150 742926312 /nfs/dbraw/zinc/92/63/12/742926312.db2.gz LCIPGMWPXSEIRS-RYRKJORJSA-N 1 2 363.527 2.985 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2nccs2)C1 ZINC001034436150 742926316 /nfs/dbraw/zinc/92/63/16/742926316.db2.gz LCIPGMWPXSEIRS-RYRKJORJSA-N 1 2 363.527 2.985 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038798429 742985996 /nfs/dbraw/zinc/98/59/96/742985996.db2.gz FAXKPRNWKHJBPS-WBAXXEDZSA-N 1 2 359.495 2.682 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038798429 742986001 /nfs/dbraw/zinc/98/60/01/742986001.db2.gz FAXKPRNWKHJBPS-WBAXXEDZSA-N 1 2 359.495 2.682 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C/C(Cl)=C\Cl ZINC001045850800 743308271 /nfs/dbraw/zinc/30/82/71/743308271.db2.gz HQPVOJRUAUUXJT-UJRUGYPWSA-N 1 2 359.297 2.962 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C/C(Cl)=C\Cl ZINC001045850800 743308278 /nfs/dbraw/zinc/30/82/78/743308278.db2.gz HQPVOJRUAUUXJT-UJRUGYPWSA-N 1 2 359.297 2.962 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cscn1 ZINC001049487709 743466539 /nfs/dbraw/zinc/46/65/39/743466539.db2.gz VBLIZYQVCVSGDX-BDXSIMOUSA-N 1 2 361.511 2.690 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cscn1 ZINC001049487709 743466540 /nfs/dbraw/zinc/46/65/40/743466540.db2.gz VBLIZYQVCVSGDX-BDXSIMOUSA-N 1 2 361.511 2.690 20 30 FFEDLO C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1csc(C(C)(C)O)n1 ZINC000832383911 745689249 /nfs/dbraw/zinc/68/92/49/745689249.db2.gz HDXLXYMODUGRNK-UHFFFAOYSA-N 1 2 358.467 2.703 20 30 FFEDLO C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1csc(C(C)(C)O)n1 ZINC000832383911 745689251 /nfs/dbraw/zinc/68/92/51/745689251.db2.gz HDXLXYMODUGRNK-UHFFFAOYSA-N 1 2 358.467 2.703 20 30 FFEDLO O=C(C#CC1CC1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000837628042 746489056 /nfs/dbraw/zinc/48/90/56/746489056.db2.gz IGJRQJJKXBCQFR-UHFFFAOYSA-N 1 2 362.227 2.681 20 30 FFEDLO N#Cc1c(Br)cccc1OCC(=O)OCCCn1cc[nH+]c1 ZINC000838247331 746602934 /nfs/dbraw/zinc/60/29/34/746602934.db2.gz JRIVXLQONITQBL-UHFFFAOYSA-N 1 2 364.199 2.530 20 30 FFEDLO CCOC(C[N@H+](CC)CC(=O)Nc1ccc(C#N)c(Cl)c1)OCC ZINC000846975359 748588835 /nfs/dbraw/zinc/58/88/35/748588835.db2.gz PYHJGVYNSZIPLR-UHFFFAOYSA-N 1 2 353.850 2.871 20 30 FFEDLO CCOC(C[N@@H+](CC)CC(=O)Nc1ccc(C#N)c(Cl)c1)OCC ZINC000846975359 748588841 /nfs/dbraw/zinc/58/88/41/748588841.db2.gz PYHJGVYNSZIPLR-UHFFFAOYSA-N 1 2 353.850 2.871 20 30 FFEDLO C[N@H+](CC(=O)Nc1sccc1C#N)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852308156 749830011 /nfs/dbraw/zinc/83/00/11/749830011.db2.gz XDSGBYYVQIQDGA-UHFFFAOYSA-N 1 2 366.487 2.793 20 30 FFEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852308156 749830014 /nfs/dbraw/zinc/83/00/14/749830014.db2.gz XDSGBYYVQIQDGA-UHFFFAOYSA-N 1 2 366.487 2.793 20 30 FFEDLO N#CC[C@H]1CCC[N@@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000853525609 750083767 /nfs/dbraw/zinc/08/37/67/750083767.db2.gz HDBYMCNSSOOBHL-LLVKDONJSA-N 1 2 350.216 2.940 20 30 FFEDLO N#CC[C@H]1CCC[N@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000853525609 750083773 /nfs/dbraw/zinc/08/37/73/750083773.db2.gz HDBYMCNSSOOBHL-LLVKDONJSA-N 1 2 350.216 2.940 20 30 FFEDLO C#C[C@@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1CCOCC1 ZINC000853858112 750183720 /nfs/dbraw/zinc/18/37/20/750183720.db2.gz FOCKGXGWFGFEDL-MRXNPFEDSA-N 1 2 362.499 2.679 20 30 FFEDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000871739729 1013051752 /nfs/dbraw/zinc/05/17/52/1013051752.db2.gz PVLVAUZQEBRQST-SFHVURJKSA-N 1 2 354.429 2.945 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)c2nnc(C)s2)C1 ZINC001112068038 971249049 /nfs/dbraw/zinc/24/90/49/971249049.db2.gz FXGHQHFKJBGCCU-YUSALJHKSA-N 1 2 362.421 2.853 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(F)c2)c1 ZINC001095281955 1013076148 /nfs/dbraw/zinc/07/61/48/1013076148.db2.gz KQTWEMIFKRRAKH-SKDZVZGDSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(F)c2)c1 ZINC001095281955 1013076161 /nfs/dbraw/zinc/07/61/61/1013076161.db2.gz KQTWEMIFKRRAKH-SKDZVZGDSA-N 1 2 356.376 2.700 20 30 FFEDLO Cn1cc[nH+]c1C[C@H](NC(=O)NCC#C[C@H]1CCCCO1)c1ccccc1 ZINC000893320402 971584392 /nfs/dbraw/zinc/58/43/92/971584392.db2.gz ZCGMWHPPIAMCCF-MOPGFXCFSA-N 1 2 366.465 2.576 20 30 FFEDLO CN1C(=O)CCC12CC[NH+](Cc1cc(Br)ccc1C#N)CC2 ZINC001141907817 971674345 /nfs/dbraw/zinc/67/43/45/971674345.db2.gz PUHSGWFZSYGKIT-UHFFFAOYSA-N 1 2 362.271 2.908 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC000974459203 971878618 /nfs/dbraw/zinc/87/86/18/971878618.db2.gz WOVSFFVDPNNIQW-CFCCAZDESA-N 1 2 366.465 2.838 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@H](C)c4csnn4)CC[C@@H]3C2)cc1 ZINC001088062163 972058291 /nfs/dbraw/zinc/05/82/91/972058291.db2.gz RIUBKHCABGRGGL-OLMNPRSZSA-N 1 2 366.490 2.675 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)c4csnn4)CC[C@@H]3C2)cc1 ZINC001088062163 972058297 /nfs/dbraw/zinc/05/82/97/972058297.db2.gz RIUBKHCABGRGGL-OLMNPRSZSA-N 1 2 366.490 2.675 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3nnc(CC)[nH]3)CC[C@@H]2C1 ZINC001088064534 972066429 /nfs/dbraw/zinc/06/64/29/972066429.db2.gz JNKOXFFSNMDZQI-OAGGEKHMSA-N 1 2 359.518 2.811 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3nnc(CC)[nH]3)CC[C@@H]2C1 ZINC001088064534 972066434 /nfs/dbraw/zinc/06/64/34/972066434.db2.gz JNKOXFFSNMDZQI-OAGGEKHMSA-N 1 2 359.518 2.811 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C[C@H]21 ZINC000975018273 972314282 /nfs/dbraw/zinc/31/42/82/972314282.db2.gz PYWSAYHNTJZSNP-QLVMHMETSA-N 1 2 366.465 2.610 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)CC1(C)C ZINC000975066315 972337604 /nfs/dbraw/zinc/33/76/04/972337604.db2.gz RMFUGEHBZGNNET-BPQIPLTHSA-N 1 2 364.436 2.883 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2F)CC1(C)C ZINC000975066315 972337610 /nfs/dbraw/zinc/33/76/10/972337610.db2.gz RMFUGEHBZGNNET-BPQIPLTHSA-N 1 2 364.436 2.883 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1cnccn1 ZINC001029508443 972378670 /nfs/dbraw/zinc/37/86/70/972378670.db2.gz DKDYAKFEBSNQHE-JNIAIEOXSA-N 1 2 370.497 2.584 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1cnccn1 ZINC001029508443 972378678 /nfs/dbraw/zinc/37/86/78/972378678.db2.gz DKDYAKFEBSNQHE-JNIAIEOXSA-N 1 2 370.497 2.584 20 30 FFEDLO C=CCOCCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000660634238 972382424 /nfs/dbraw/zinc/38/24/24/972382424.db2.gz NEJPYEJKGJQSHC-OAHLLOKOSA-N 1 2 367.440 2.821 20 30 FFEDLO C=CCOCCCNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000660634238 972382433 /nfs/dbraw/zinc/38/24/33/972382433.db2.gz NEJPYEJKGJQSHC-OAHLLOKOSA-N 1 2 367.440 2.821 20 30 FFEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120475033 959636250 /nfs/dbraw/zinc/63/62/50/959636250.db2.gz MGUHVUCKSYOOMA-MRXNPFEDSA-N 1 2 362.389 2.939 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(Cc4ccc(O)cc4Cl)C3)C2)cc1C#N ZINC001279214930 960211503 /nfs/dbraw/zinc/21/15/03/960211503.db2.gz YURVKQWJAWNGBR-UHFFFAOYSA-N 1 2 356.857 2.574 20 30 FFEDLO N#Cc1cccc(CNC(=O)[C@@H]2CC23CC[NH+](Cc2cscn2)CC3)c1 ZINC001275967746 1013242126 /nfs/dbraw/zinc/24/21/26/1013242126.db2.gz ZFFUYJPTKJPJAJ-SFHVURJKSA-N 1 2 366.490 2.933 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(Br)s2)C1=O ZINC001275979939 1013254552 /nfs/dbraw/zinc/25/45/52/1013254552.db2.gz MBHIPTFXLGNCKB-HNNXBMFYSA-N 1 2 353.285 2.711 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(Br)s2)C1=O ZINC001275979939 1013254561 /nfs/dbraw/zinc/25/45/61/1013254561.db2.gz MBHIPTFXLGNCKB-HNNXBMFYSA-N 1 2 353.285 2.711 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c1C#N ZINC000933056142 963390812 /nfs/dbraw/zinc/39/08/12/963390812.db2.gz INEZANZNTJYOFF-SFHVURJKSA-N 1 2 366.465 2.558 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(F)ccc(C)c1F)C2 ZINC001276084850 1013430226 /nfs/dbraw/zinc/43/02/26/1013430226.db2.gz CUAZIHZSWJENIK-FQEVSTJZSA-N 1 2 364.436 2.900 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c(F)ccc(C)c1F)C2 ZINC001276084850 1013430233 /nfs/dbraw/zinc/43/02/33/1013430233.db2.gz CUAZIHZSWJENIK-FQEVSTJZSA-N 1 2 364.436 2.900 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)CCC(C)C ZINC001211841280 964040411 /nfs/dbraw/zinc/04/04/11/964040411.db2.gz UTIZSXHPOZHTFN-RTBURBONSA-N 1 2 362.901 2.943 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)CCC(C)C ZINC001211841280 964040424 /nfs/dbraw/zinc/04/04/24/964040424.db2.gz UTIZSXHPOZHTFN-RTBURBONSA-N 1 2 362.901 2.943 20 30 FFEDLO N#Cc1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4csc(C5CC5)n4)C[C@H]32)c[nH]1 ZINC001075709727 964368997 /nfs/dbraw/zinc/36/89/97/964368997.db2.gz PHEGZDXMSIXEQR-SUMWQHHRSA-N 1 2 367.478 2.567 20 30 FFEDLO N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4csc(C5CC5)n4)C[C@H]32)c[nH]1 ZINC001075709727 964369010 /nfs/dbraw/zinc/36/90/10/964369010.db2.gz PHEGZDXMSIXEQR-SUMWQHHRSA-N 1 2 367.478 2.567 20 30 FFEDLO CC(C)(C#N)C(=O)NCc1c[nH+]cn1Cc1cccc(Br)c1 ZINC001143408003 965030891 /nfs/dbraw/zinc/03/08/91/965030891.db2.gz NZRZOVZQXGWKNW-UHFFFAOYSA-N 1 2 361.243 2.860 20 30 FFEDLO CCOC(=O)Cn1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c(-c2cccnc2)n1 ZINC000894443345 965374358 /nfs/dbraw/zinc/37/43/58/965374358.db2.gz FXICVGDANYTSSM-FQEVSTJZSA-N 1 2 367.453 2.634 20 30 FFEDLO CCOC(=O)Cn1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)c(-c2cccnc2)n1 ZINC000894443345 965374371 /nfs/dbraw/zinc/37/43/71/965374371.db2.gz FXICVGDANYTSSM-FQEVSTJZSA-N 1 2 367.453 2.634 20 30 FFEDLO CCOC(=O)Cn1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)c(-c2cccnc2)n1 ZINC000894443347 965374770 /nfs/dbraw/zinc/37/47/70/965374770.db2.gz FXICVGDANYTSSM-HXUWFJFHSA-N 1 2 367.453 2.634 20 30 FFEDLO CCOC(=O)Cn1cc(C[N@H+]2CCC[C@](C)(C#N)C2)c(-c2cccnc2)n1 ZINC000894443347 965374776 /nfs/dbraw/zinc/37/47/76/965374776.db2.gz FXICVGDANYTSSM-HXUWFJFHSA-N 1 2 367.453 2.634 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)c2ccco2)C1 ZINC001087477111 965661315 /nfs/dbraw/zinc/66/13/15/965661315.db2.gz VOBUWZOJFJDOQA-RDJZCZTQSA-N 1 2 356.397 2.648 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)c2ccco2)C1 ZINC001087477111 965661319 /nfs/dbraw/zinc/66/13/19/965661319.db2.gz VOBUWZOJFJDOQA-RDJZCZTQSA-N 1 2 356.397 2.648 20 30 FFEDLO C=CCC(F)(F)C(=O)NC12CC(C(=O)Nc3cccc4[nH+]ccn43)(C1)C2 ZINC001270706328 965791438 /nfs/dbraw/zinc/79/14/38/965791438.db2.gz SVZJQRKGGDZVEI-UHFFFAOYSA-N 1 2 360.364 2.523 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3CN(C(=O)C[C@H](C)n4cc[nH+]c4)C[C@H]32)CC1 ZINC001022605519 965967684 /nfs/dbraw/zinc/96/76/84/965967684.db2.gz QTJWDTQKFDBWHM-YTQUADARSA-N 1 2 370.497 2.640 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cnccn2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087489531 966075157 /nfs/dbraw/zinc/07/51/57/966075157.db2.gz CXOFFDMHBJHXDS-PKOBYXMFSA-N 1 2 368.868 2.764 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cnccn2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087489531 966075168 /nfs/dbraw/zinc/07/51/68/966075168.db2.gz CXOFFDMHBJHXDS-PKOBYXMFSA-N 1 2 368.868 2.764 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nc(CC)no2)cc1 ZINC001087197482 966112413 /nfs/dbraw/zinc/11/24/13/966112413.db2.gz RDJNLTUAJIBCDY-QAPCUYQASA-N 1 2 366.465 2.644 20 30 FFEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCO[C@H]3c3ccccc3)C2)C1 ZINC000972415795 967039509 /nfs/dbraw/zinc/03/95/09/967039509.db2.gz AGFRFMDJBZREIH-RZUBCFFCSA-N 1 2 370.493 2.644 20 30 FFEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCO[C@H]3c3ccccc3)C2)C1 ZINC000972415795 967039518 /nfs/dbraw/zinc/03/95/18/967039518.db2.gz AGFRFMDJBZREIH-RZUBCFFCSA-N 1 2 370.493 2.644 20 30 FFEDLO Cc1nsc(NC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCCC2)c1C#N ZINC001104440214 967230149 /nfs/dbraw/zinc/23/01/49/967230149.db2.gz SDURKMSCRMFMOQ-CHWSQXEVSA-N 1 2 370.482 2.691 20 30 FFEDLO Cc1nsc(NC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCCC2)c1C#N ZINC001104440214 967230157 /nfs/dbraw/zinc/23/01/57/967230157.db2.gz SDURKMSCRMFMOQ-CHWSQXEVSA-N 1 2 370.482 2.691 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)COc2cc(C)ccc2C)c1 ZINC000052130745 967281466 /nfs/dbraw/zinc/28/14/66/967281466.db2.gz RLMNJIYETALSNO-HXUWFJFHSA-N 1 2 366.461 2.595 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)COc2cc(C)ccc2C)c1 ZINC000052130745 967281478 /nfs/dbraw/zinc/28/14/78/967281478.db2.gz RLMNJIYETALSNO-HXUWFJFHSA-N 1 2 366.461 2.595 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3csc([C@@H]4CCCO4)n3)[C@@H]2C1 ZINC001075793504 967503140 /nfs/dbraw/zinc/50/31/40/967503140.db2.gz GYBNYSUONZAKDP-CFVMTHIKSA-N 1 2 367.902 2.893 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3csc([C@@H]4CCCO4)n3)[C@@H]2C1 ZINC001075793504 967503147 /nfs/dbraw/zinc/50/31/47/967503147.db2.gz GYBNYSUONZAKDP-CFVMTHIKSA-N 1 2 367.902 2.893 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000972530370 967636928 /nfs/dbraw/zinc/63/69/28/967636928.db2.gz UIAQZBULQWOBJI-UFYCRDLUSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000972530370 967636930 /nfs/dbraw/zinc/63/69/30/967636930.db2.gz UIAQZBULQWOBJI-UFYCRDLUSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCCCO2)[C@H]1CC ZINC001087537890 967942108 /nfs/dbraw/zinc/94/21/08/967942108.db2.gz WMMKLFJMUDVYBM-QLFBSQMISA-N 1 2 359.308 2.823 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCCO2)[C@H]1CC ZINC001087537890 967942114 /nfs/dbraw/zinc/94/21/14/967942114.db2.gz WMMKLFJMUDVYBM-QLFBSQMISA-N 1 2 359.308 2.823 20 30 FFEDLO CC(C)c1nc([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)C2)no1 ZINC000329755775 968008325 /nfs/dbraw/zinc/00/83/25/968008325.db2.gz YHMGNPWXLBGPBM-CHWSQXEVSA-N 1 2 358.446 2.567 20 30 FFEDLO CC(C)c1nc([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)C2)no1 ZINC000329755775 968008335 /nfs/dbraw/zinc/00/83/35/968008335.db2.gz YHMGNPWXLBGPBM-CHWSQXEVSA-N 1 2 358.446 2.567 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1nc2c(o1)CCCC2 ZINC001087545705 968020717 /nfs/dbraw/zinc/02/07/17/968020717.db2.gz YHRZLMQBGOPUKY-WMLDXEAASA-N 1 2 367.453 2.536 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1nc2c(o1)CCCC2 ZINC001087545705 968020728 /nfs/dbraw/zinc/02/07/28/968020728.db2.gz YHRZLMQBGOPUKY-WMLDXEAASA-N 1 2 367.453 2.536 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2COC3)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087579718 968237341 /nfs/dbraw/zinc/23/73/41/968237341.db2.gz PPZZTHRGCZRPOP-ROPHOZQPSA-N 1 2 372.896 2.697 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2COC3)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087579718 968237352 /nfs/dbraw/zinc/23/73/52/968237352.db2.gz PPZZTHRGCZRPOP-ROPHOZQPSA-N 1 2 372.896 2.697 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]cnc2C(F)(F)F)[C@H]1CC ZINC001087602149 968322859 /nfs/dbraw/zinc/32/28/59/968322859.db2.gz AKIUITZXBLDICR-VHSXEESVSA-N 1 2 350.772 2.764 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]cnc2C(F)(F)F)[C@H]1CC ZINC001087602149 968322867 /nfs/dbraw/zinc/32/28/67/968322867.db2.gz AKIUITZXBLDICR-VHSXEESVSA-N 1 2 350.772 2.764 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cn(CC4CC4)nn3)[C@@H]2CC)CC1 ZINC001087713762 968703016 /nfs/dbraw/zinc/70/30/16/968703016.db2.gz HLFCFHFFHULISA-VQTJNVASSA-N 1 2 371.529 2.904 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cn(CC4CC4)nn3)[C@@H]2CC)CC1 ZINC001087713762 968703024 /nfs/dbraw/zinc/70/30/24/968703024.db2.gz HLFCFHFFHULISA-VQTJNVASSA-N 1 2 371.529 2.904 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C(C)C)o3)[C@@H]2CC)c1 ZINC001087718754 968718070 /nfs/dbraw/zinc/71/80/70/968718070.db2.gz GXZWTURMHRFRLB-ZWKOTPCHSA-N 1 2 366.465 2.957 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C(C)C)o3)[C@@H]2CC)c1 ZINC001087718754 968718077 /nfs/dbraw/zinc/71/80/77/968718077.db2.gz GXZWTURMHRFRLB-ZWKOTPCHSA-N 1 2 366.465 2.957 20 30 FFEDLO C=CCCC1(CNC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCC1 ZINC000658502114 968764337 /nfs/dbraw/zinc/76/43/37/968764337.db2.gz PQVGFSXKLKQJHY-MRXNPFEDSA-N 1 2 358.486 2.759 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087733355 968811727 /nfs/dbraw/zinc/81/17/27/968811727.db2.gz VGHMAQUIDUQHLF-VUKOWNLVSA-N 1 2 359.445 2.734 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087733355 968811736 /nfs/dbraw/zinc/81/17/36/968811736.db2.gz VGHMAQUIDUQHLF-VUKOWNLVSA-N 1 2 359.445 2.734 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(CNC(C)=O)s2)[C@H]1CC ZINC001087742109 968840413 /nfs/dbraw/zinc/84/04/13/968840413.db2.gz SBXAYGBXQBUDGC-LSDHHAIUSA-N 1 2 369.918 2.719 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(CNC(C)=O)s2)[C@H]1CC ZINC001087742109 968840426 /nfs/dbraw/zinc/84/04/26/968840426.db2.gz SBXAYGBXQBUDGC-LSDHHAIUSA-N 1 2 369.918 2.719 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)o3)[C@@H]2CC)cc1 ZINC001087753493 968905830 /nfs/dbraw/zinc/90/58/30/968905830.db2.gz LCMVMLQCRVMSJC-RBUKOAKNSA-N 1 2 367.449 2.778 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)o3)[C@@H]2CC)cc1 ZINC001087753493 968905835 /nfs/dbraw/zinc/90/58/35/968905835.db2.gz LCMVMLQCRVMSJC-RBUKOAKNSA-N 1 2 367.449 2.778 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cn(CC)cn2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087798154 969109346 /nfs/dbraw/zinc/10/93/46/969109346.db2.gz FASUBPUJDGXMJR-PKOBYXMFSA-N 1 2 369.444 2.697 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cn(CC)cn2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087798154 969109350 /nfs/dbraw/zinc/10/93/50/969109350.db2.gz FASUBPUJDGXMJR-PKOBYXMFSA-N 1 2 369.444 2.697 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C)on1 ZINC001024695006 969261217 /nfs/dbraw/zinc/26/12/17/969261217.db2.gz OHTWSGSEHONBGW-FHWLQOOXSA-N 1 2 361.486 2.825 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C)on1 ZINC001024695006 969261227 /nfs/dbraw/zinc/26/12/27/969261227.db2.gz OHTWSGSEHONBGW-FHWLQOOXSA-N 1 2 361.486 2.825 20 30 FFEDLO Cc1cc(C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4Cl)C[C@H]32)no1 ZINC001075523823 970171526 /nfs/dbraw/zinc/17/15/26/970171526.db2.gz BJFYACNENBCUTH-QFBILLFUSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4Cl)C[C@H]32)no1 ZINC001075523823 970171529 /nfs/dbraw/zinc/17/15/29/970171529.db2.gz BJFYACNENBCUTH-QFBILLFUSA-N 1 2 369.852 2.834 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccnc(C)n2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087833006 970487949 /nfs/dbraw/zinc/48/79/49/970487949.db2.gz HSLDAPMYPCIKDS-PKOBYXMFSA-N 1 2 367.428 2.579 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccnc(C)n2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087833006 970487955 /nfs/dbraw/zinc/48/79/55/970487955.db2.gz HSLDAPMYPCIKDS-PKOBYXMFSA-N 1 2 367.428 2.579 20 30 FFEDLO COc1ccc2c(c1NC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1)CCC2 ZINC000330144589 970552050 /nfs/dbraw/zinc/55/20/50/970552050.db2.gz ZRFPASOKZLDWIZ-QGZVFWFLSA-N 1 2 373.497 2.772 20 30 FFEDLO COc1ccc2c(c1NC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1)CCC2 ZINC000330144589 970552056 /nfs/dbraw/zinc/55/20/56/970552056.db2.gz ZRFPASOKZLDWIZ-QGZVFWFLSA-N 1 2 373.497 2.772 20 30 FFEDLO Cc1c(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cnn1CCC#N ZINC000895448182 970630767 /nfs/dbraw/zinc/63/07/67/970630767.db2.gz ZNUYZNORFFTVAL-WEVVVXLNSA-N 1 2 363.465 2.576 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C)n4CCC)CC[C@@H]3C2)C1 ZINC001088097866 972764404 /nfs/dbraw/zinc/76/44/04/972764404.db2.gz MSYVALVVVQICBD-MSOLQXFVSA-N 1 2 371.529 2.633 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C)n4CCC)CC[C@@H]3C2)C1 ZINC001088097866 972764411 /nfs/dbraw/zinc/76/44/11/972764411.db2.gz MSYVALVVVQICBD-MSOLQXFVSA-N 1 2 371.529 2.633 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C(C)C)[nH]4)CC[C@@H]3C2)C1 ZINC001088098611 972782494 /nfs/dbraw/zinc/78/24/94/972782494.db2.gz SBESXQAHJDXZOW-CVEARBPZSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C(C)C)[nH]4)CC[C@@H]3C2)C1 ZINC001088098611 972782502 /nfs/dbraw/zinc/78/25/02/972782502.db2.gz SBESXQAHJDXZOW-CVEARBPZSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](Cc4ncnn4C(C)(C)C)CC[C@@H]3C2)C1 ZINC001088098464 972783107 /nfs/dbraw/zinc/78/31/07/972783107.db2.gz LASUZSHUAHIFKX-SJORKVTESA-N 1 2 371.529 2.670 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](Cc4ncnn4C(C)(C)C)CC[C@@H]3C2)C1 ZINC001088098464 972783114 /nfs/dbraw/zinc/78/31/14/972783114.db2.gz LASUZSHUAHIFKX-SJORKVTESA-N 1 2 371.529 2.670 20 30 FFEDLO Cc1ncsc1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001075578275 975323481 /nfs/dbraw/zinc/32/34/81/975323481.db2.gz QMUJPQHQQDYNEK-DOTOQJQBSA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1ncsc1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001075578275 975323487 /nfs/dbraw/zinc/32/34/87/975323487.db2.gz QMUJPQHQQDYNEK-DOTOQJQBSA-N 1 2 370.453 2.809 20 30 FFEDLO COCc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)o1 ZINC001088726471 975632632 /nfs/dbraw/zinc/63/26/32/975632632.db2.gz YDNCOSXKDMARPY-ACJLOTCBSA-N 1 2 371.412 2.830 20 30 FFEDLO COCc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)o1 ZINC001088726471 975632637 /nfs/dbraw/zinc/63/26/37/975632637.db2.gz YDNCOSXKDMARPY-ACJLOTCBSA-N 1 2 371.412 2.830 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc4c(o3)CCCC4)[C@@H]2C)cc1 ZINC001088786831 976221303 /nfs/dbraw/zinc/22/13/03/976221303.db2.gz BQWQOXUZZRKEPW-QAPCUYQASA-N 1 2 363.461 2.928 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc4c(o3)CCCC4)[C@@H]2C)cc1 ZINC001088786831 976221311 /nfs/dbraw/zinc/22/13/11/976221311.db2.gz BQWQOXUZZRKEPW-QAPCUYQASA-N 1 2 363.461 2.928 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001028041442 976319322 /nfs/dbraw/zinc/31/93/22/976319322.db2.gz ADIYPYLXAHGGQG-OTWHNJEPSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001028041442 976319336 /nfs/dbraw/zinc/31/93/36/976319336.db2.gz ADIYPYLXAHGGQG-OTWHNJEPSA-N 1 2 359.445 2.593 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)cc1F ZINC000981656859 976687840 /nfs/dbraw/zinc/68/78/40/976687840.db2.gz MREIQBUMWKKOCP-QUCCMNQESA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)cc1F ZINC000981656859 976687849 /nfs/dbraw/zinc/68/78/49/976687849.db2.gz MREIQBUMWKKOCP-QUCCMNQESA-N 1 2 371.456 2.547 20 30 FFEDLO Cc1ncc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)s1 ZINC001075602886 976966602 /nfs/dbraw/zinc/96/66/02/976966602.db2.gz SLZLBGZIURTNQY-DLBZAZTESA-N 1 2 352.463 2.670 20 30 FFEDLO Cc1ncc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)s1 ZINC001075602886 976966612 /nfs/dbraw/zinc/96/66/12/976966612.db2.gz SLZLBGZIURTNQY-DLBZAZTESA-N 1 2 352.463 2.670 20 30 FFEDLO CC[C@H](OC)C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075606243 977022479 /nfs/dbraw/zinc/02/24/79/977022479.db2.gz IWWJDLVKVZIFRW-UHOSZYNNSA-N 1 2 360.885 2.649 20 30 FFEDLO CC[C@H](OC)C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075606243 977022492 /nfs/dbraw/zinc/02/24/92/977022492.db2.gz IWWJDLVKVZIFRW-UHOSZYNNSA-N 1 2 360.885 2.649 20 30 FFEDLO C#CCN(C(=O)CCCn1cc[nH+]c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000899270983 977059172 /nfs/dbraw/zinc/05/91/72/977059172.db2.gz QTNMYNJBHIXHDQ-UHFFFAOYSA-N 1 2 374.485 2.525 20 30 FFEDLO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000982002556 977096939 /nfs/dbraw/zinc/09/69/39/977096939.db2.gz ILKRRGRRUMHLMF-AQNXPRMDSA-N 1 2 372.896 2.793 20 30 FFEDLO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000982002556 977096951 /nfs/dbraw/zinc/09/69/51/977096951.db2.gz ILKRRGRRUMHLMF-AQNXPRMDSA-N 1 2 372.896 2.793 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3cccnc32)[C@H]1C ZINC001088822223 977150984 /nfs/dbraw/zinc/15/09/84/977150984.db2.gz JHTLZVLDFHKBFP-YUELXQCFSA-N 1 2 364.287 2.599 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3cccnc32)[C@H]1C ZINC001088822223 977150992 /nfs/dbraw/zinc/15/09/92/977150992.db2.gz JHTLZVLDFHKBFP-YUELXQCFSA-N 1 2 364.287 2.599 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)nn1 ZINC000653573666 1014379331 /nfs/dbraw/zinc/37/93/31/1014379331.db2.gz IJBJYBFTCNOCDD-CQSZACIVSA-N 1 2 374.876 2.753 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)nn1 ZINC000653573666 1014379346 /nfs/dbraw/zinc/37/93/46/1014379346.db2.gz IJBJYBFTCNOCDD-CQSZACIVSA-N 1 2 374.876 2.753 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2nc(CC)oc2C)C1 ZINC001087459133 977956901 /nfs/dbraw/zinc/95/69/01/977956901.db2.gz ODPHSZWOVGJWGF-QZTJIDSGSA-N 1 2 369.440 2.906 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2nc(CC)oc2C)C1 ZINC001087459133 977956909 /nfs/dbraw/zinc/95/69/09/977956909.db2.gz ODPHSZWOVGJWGF-QZTJIDSGSA-N 1 2 369.440 2.906 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ncccc2F)C1 ZINC001087459196 977960259 /nfs/dbraw/zinc/96/02/59/977960259.db2.gz SMQLTJFJMPHQRB-SJLPKXTDSA-N 1 2 355.388 2.581 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ncccc2F)C1 ZINC001087459196 977960272 /nfs/dbraw/zinc/96/02/72/977960272.db2.gz SMQLTJFJMPHQRB-SJLPKXTDSA-N 1 2 355.388 2.581 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)c3ccco3)[C@@H]2C1 ZINC001076234454 979264606 /nfs/dbraw/zinc/26/46/06/979264606.db2.gz FVLCSLIJBCQTBB-HZSPNIEDSA-N 1 2 353.260 2.824 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)c3ccco3)[C@@H]2C1 ZINC001076234454 979264609 /nfs/dbraw/zinc/26/46/09/979264609.db2.gz FVLCSLIJBCQTBB-HZSPNIEDSA-N 1 2 353.260 2.824 20 30 FFEDLO COc1cc(C#N)cnc1NCCSCc1csc(C[NH+](C)C)n1 ZINC001168109819 979437818 /nfs/dbraw/zinc/43/78/18/979437818.db2.gz WOPLGWPYPRYNIM-UHFFFAOYSA-N 1 2 363.512 2.825 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4c3OCCCO4)[C@@H]2C1 ZINC001076401071 979460848 /nfs/dbraw/zinc/46/08/48/979460848.db2.gz HTBFEFSTYADAHN-GOEBONIOSA-N 1 2 362.857 2.747 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc4c3OCCCO4)[C@@H]2C1 ZINC001076401071 979460851 /nfs/dbraw/zinc/46/08/51/979460851.db2.gz HTBFEFSTYADAHN-GOEBONIOSA-N 1 2 362.857 2.747 20 30 FFEDLO O=C(Cc1ccc[nH]1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001076595973 979690972 /nfs/dbraw/zinc/69/09/72/979690972.db2.gz UDPPYQPIIHKSCK-FXAWDEMLSA-N 1 2 367.880 2.795 20 30 FFEDLO O=C(Cc1ccc[nH]1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001076595973 979690977 /nfs/dbraw/zinc/69/09/77/979690977.db2.gz UDPPYQPIIHKSCK-FXAWDEMLSA-N 1 2 367.880 2.795 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3nccc(C)n3)C[C@H]21)c1ccccc1 ZINC001076597692 979698617 /nfs/dbraw/zinc/69/86/17/979698617.db2.gz IORWKNHSMYBWCZ-XUVXKRRUSA-N 1 2 362.477 2.788 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3nccc(C)n3)C[C@H]21)c1ccccc1 ZINC001076597692 979698621 /nfs/dbraw/zinc/69/86/21/979698621.db2.gz IORWKNHSMYBWCZ-XUVXKRRUSA-N 1 2 362.477 2.788 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CCCCCCC3)C2)s1 ZINC001077361297 980133832 /nfs/dbraw/zinc/13/38/32/980133832.db2.gz WUUDBOGUIIKZQM-QZTJIDSGSA-N 1 2 361.511 2.642 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CCCCCCC3)C2)s1 ZINC001077361297 980133835 /nfs/dbraw/zinc/13/38/35/980133835.db2.gz WUUDBOGUIIKZQM-QZTJIDSGSA-N 1 2 361.511 2.642 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3noc4c3COCC4)[C@@H]2C)CC1 ZINC001088838341 980331658 /nfs/dbraw/zinc/33/16/58/980331658.db2.gz DNXXPPGDSQPCDA-PBHICJAKSA-N 1 2 359.470 2.573 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3noc4c3COCC4)[C@@H]2C)CC1 ZINC001088838341 980331666 /nfs/dbraw/zinc/33/16/66/980331666.db2.gz DNXXPPGDSQPCDA-PBHICJAKSA-N 1 2 359.470 2.573 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncccc2O)CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001088538941 980481972 /nfs/dbraw/zinc/48/19/72/980481972.db2.gz ZFIKBSKKRYUBBI-PBHICJAKSA-N 1 2 369.852 2.685 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncccc2O)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001088538941 980481976 /nfs/dbraw/zinc/48/19/76/980481976.db2.gz ZFIKBSKKRYUBBI-PBHICJAKSA-N 1 2 369.852 2.685 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)[C@@H]1C ZINC001088576049 981230130 /nfs/dbraw/zinc/23/01/30/981230130.db2.gz UGSQQGORKPGAFQ-SIXLDLHFSA-N 1 2 363.889 2.795 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)[C@@H]1C ZINC001088576049 981230136 /nfs/dbraw/zinc/23/01/36/981230136.db2.gz UGSQQGORKPGAFQ-SIXLDLHFSA-N 1 2 363.889 2.795 20 30 FFEDLO C=CCn1cc(C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)nn1 ZINC000648716423 981258395 /nfs/dbraw/zinc/25/83/95/981258395.db2.gz KDEUGUFYBMOUAU-UHFFFAOYSA-N 1 2 353.470 2.546 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccn(C(C)(C)C)n2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088601397 981403159 /nfs/dbraw/zinc/40/31/59/981403159.db2.gz YLFBNGOTDRXJRH-QAPCUYQASA-N 1 2 365.481 2.903 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccn(C(C)(C)C)n2)CC[N@H+]1Cc1ccccc1C#N ZINC001088601397 981403162 /nfs/dbraw/zinc/40/31/62/981403162.db2.gz YLFBNGOTDRXJRH-QAPCUYQASA-N 1 2 365.481 2.903 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1OC ZINC001211992831 981410781 /nfs/dbraw/zinc/41/07/81/981410781.db2.gz YLYZBXDWSUILTD-ZTFGCOKTSA-N 1 2 366.889 2.637 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1OC ZINC001211992831 981410783 /nfs/dbraw/zinc/41/07/83/981410783.db2.gz YLYZBXDWSUILTD-ZTFGCOKTSA-N 1 2 366.889 2.637 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)CCC1CC1 ZINC001212060210 981483220 /nfs/dbraw/zinc/48/32/20/981483220.db2.gz QLZQSEHAVPEZCD-RTBURBONSA-N 1 2 360.885 2.697 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)CCC1CC1 ZINC001212060210 981483224 /nfs/dbraw/zinc/48/32/24/981483224.db2.gz QLZQSEHAVPEZCD-RTBURBONSA-N 1 2 360.885 2.697 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)CCC1CCC1 ZINC001212098211 981634008 /nfs/dbraw/zinc/63/40/08/981634008.db2.gz FHHZOZXGGCDITD-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)CCC1CCC1 ZINC001212098211 981634012 /nfs/dbraw/zinc/63/40/12/981634012.db2.gz FHHZOZXGGCDITD-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H](NC(=O)c3cccc4[nH+]ccn43)[C@H]2C)CC1 ZINC000988933516 981785767 /nfs/dbraw/zinc/78/57/67/981785767.db2.gz TYLMDXJKUUJHAZ-WBVHZDCISA-N 1 2 366.465 2.800 20 30 FFEDLO Cc1cccc(OCC[N@@H+](C)Cc2nc3ccccc3c(=O)n2CC#N)c1 ZINC000054530258 982193886 /nfs/dbraw/zinc/19/38/86/982193886.db2.gz UFLWFBBMVBOBFK-UHFFFAOYSA-N 1 2 362.433 2.739 20 30 FFEDLO Cc1cccc(OCC[N@H+](C)Cc2nc3ccccc3c(=O)n2CC#N)c1 ZINC000054530258 982193888 /nfs/dbraw/zinc/19/38/88/982193888.db2.gz UFLWFBBMVBOBFK-UHFFFAOYSA-N 1 2 362.433 2.739 20 30 FFEDLO Cc1noc(CCCO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)n1 ZINC000842026749 982619858 /nfs/dbraw/zinc/61/98/58/982619858.db2.gz KHDKZCYZGGCUNM-UHFFFAOYSA-N 1 2 367.409 2.622 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2[nH]nc3c2CCCC3)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001088698172 982951036 /nfs/dbraw/zinc/95/10/36/982951036.db2.gz GZPKUENHJGWSGW-KDOFPFPSSA-N 1 2 363.465 2.553 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2[nH]nc3c2CCCC3)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088698172 982951041 /nfs/dbraw/zinc/95/10/41/982951041.db2.gz GZPKUENHJGWSGW-KDOFPFPSSA-N 1 2 363.465 2.553 20 30 FFEDLO CC(C)Oc1ccc(CCNC(=O)CO[NH+]=C(N)Cc2ccccc2)cc1 ZINC000151212480 984216229 /nfs/dbraw/zinc/21/62/29/984216229.db2.gz VZCVEUDQMAISOH-UHFFFAOYSA-N 1 2 369.465 2.664 20 30 FFEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000156417494 984329897 /nfs/dbraw/zinc/32/98/97/984329897.db2.gz DWAJBUQJSJJXEL-UXHICEINSA-N 1 2 350.418 2.799 20 30 FFEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000156417494 984329904 /nfs/dbraw/zinc/32/99/04/984329904.db2.gz DWAJBUQJSJJXEL-UXHICEINSA-N 1 2 350.418 2.799 20 30 FFEDLO C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3-n3cc[nH+]c3)cc2C1=O ZINC000045860110 984540741 /nfs/dbraw/zinc/54/07/41/984540741.db2.gz OVPPFDJWGMYAAH-UHFFFAOYSA-N 1 2 372.384 2.907 20 30 FFEDLO C=CCCC1(C(=O)N2CC[C@@H](CCNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001060330945 984755632 /nfs/dbraw/zinc/75/56/32/984755632.db2.gz JUFSDVGFYCWUGR-BRWVUGGUSA-N 1 2 370.497 2.614 20 30 FFEDLO C=CCCC1(C(=O)N2CC[C@@H](CCNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001060330945 984755642 /nfs/dbraw/zinc/75/56/42/984755642.db2.gz JUFSDVGFYCWUGR-BRWVUGGUSA-N 1 2 370.497 2.614 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3c(F)cccc3F)[C@@H]2C)c1 ZINC001088846308 984977337 /nfs/dbraw/zinc/97/73/37/984977337.db2.gz HQBJAVABAPMDCV-YJYMSZOUSA-N 1 2 355.388 2.734 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3c(F)cccc3F)[C@@H]2C)c1 ZINC001088846308 984977342 /nfs/dbraw/zinc/97/73/42/984977342.db2.gz HQBJAVABAPMDCV-YJYMSZOUSA-N 1 2 355.388 2.734 20 30 FFEDLO CCc1oncc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088892987 985337510 /nfs/dbraw/zinc/33/75/10/985337510.db2.gz BBZYEBFCLXVFLK-KDOFPFPSSA-N 1 2 355.413 2.620 20 30 FFEDLO CCc1oncc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088892987 985337529 /nfs/dbraw/zinc/33/75/29/985337529.db2.gz BBZYEBFCLXVFLK-KDOFPFPSSA-N 1 2 355.413 2.620 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2coc(C3CC3)n2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088903217 985399922 /nfs/dbraw/zinc/39/99/22/985399922.db2.gz GASNTRSRUVSFNI-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2coc(C3CC3)n2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088903217 985399930 /nfs/dbraw/zinc/39/99/30/985399930.db2.gz GASNTRSRUVSFNI-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnoc2C2CC2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088953256 985594822 /nfs/dbraw/zinc/59/48/22/985594822.db2.gz JYKKUDUDQOUSOX-BZNIZROVSA-N 1 2 356.451 2.878 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnoc2C2CC2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088953256 985594829 /nfs/dbraw/zinc/59/48/29/985594829.db2.gz JYKKUDUDQOUSOX-BZNIZROVSA-N 1 2 356.451 2.878 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)o1 ZINC001088959395 985623955 /nfs/dbraw/zinc/62/39/55/985623955.db2.gz BWAGTJLYPHDJQM-DYVFJYSZSA-N 1 2 370.428 2.949 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)o1 ZINC001088959395 985623960 /nfs/dbraw/zinc/62/39/60/985623960.db2.gz BWAGTJLYPHDJQM-DYVFJYSZSA-N 1 2 370.428 2.949 20 30 FFEDLO C[C@H]1Cc2ccccc2C[N@@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000172926565 985714548 /nfs/dbraw/zinc/71/45/48/985714548.db2.gz QVFUSJDNSDSCAO-INIZCTEOSA-N 1 2 374.444 2.727 20 30 FFEDLO C[C@H]1Cc2ccccc2C[N@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000172926565 985714553 /nfs/dbraw/zinc/71/45/53/985714553.db2.gz QVFUSJDNSDSCAO-INIZCTEOSA-N 1 2 374.444 2.727 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1(CC(C)C)CC1 ZINC001212390828 985979590 /nfs/dbraw/zinc/97/95/90/985979590.db2.gz DUGHNVABYSUZHF-IAGOWNOFSA-N 1 2 361.511 2.761 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1(CC(C)C)CC1 ZINC001212390828 985979606 /nfs/dbraw/zinc/97/96/06/985979606.db2.gz DUGHNVABYSUZHF-IAGOWNOFSA-N 1 2 361.511 2.761 20 30 FFEDLO Cc1ccc(CC(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@@H]2C)cn1 ZINC001089041255 986070305 /nfs/dbraw/zinc/07/03/05/986070305.db2.gz LFSIJWSDEUZTCI-QRWLVFNGSA-N 1 2 366.440 2.723 20 30 FFEDLO Cc1ccc(CC(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@@H]2C)cn1 ZINC001089041255 986070313 /nfs/dbraw/zinc/07/03/13/986070313.db2.gz LFSIJWSDEUZTCI-QRWLVFNGSA-N 1 2 366.440 2.723 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccccc2N(C)C)[C@H]1C ZINC001089072988 986214146 /nfs/dbraw/zinc/21/41/46/986214146.db2.gz FYOVDIBMGLSTMJ-HIFRSBDPSA-N 1 2 366.303 2.854 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2N(C)C)[C@H]1C ZINC001089072988 986214153 /nfs/dbraw/zinc/21/41/53/986214153.db2.gz FYOVDIBMGLSTMJ-HIFRSBDPSA-N 1 2 366.303 2.854 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C(C)C)n1 ZINC001032677360 986426005 /nfs/dbraw/zinc/42/60/05/986426005.db2.gz IJDPIWRHJBTWIN-IWFBPKFRSA-N 1 2 369.509 2.971 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C(C)C)n1 ZINC001032677360 986426012 /nfs/dbraw/zinc/42/60/12/986426012.db2.gz IJDPIWRHJBTWIN-IWFBPKFRSA-N 1 2 369.509 2.971 20 30 FFEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccc(C)cc3)n(CC=C)c2=S)CC1 ZINC000151745673 986838738 /nfs/dbraw/zinc/83/87/38/986838738.db2.gz VGSQCEBVGCVDNT-UHFFFAOYSA-N 1 2 367.522 2.784 20 30 FFEDLO C/C(=C\C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F)C[NH+]1CCOCC1 ZINC000913782541 986911028 /nfs/dbraw/zinc/91/10/28/986911028.db2.gz WSOADNSVKCNYMV-VEMDQMBVSA-N 1 2 367.371 2.556 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC000965155036 1015264510 /nfs/dbraw/zinc/26/45/10/1015264510.db2.gz WBNWQPCVQJUPEO-KZNAEPCWSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC000965155036 1015264518 /nfs/dbraw/zinc/26/45/18/1015264518.db2.gz WBNWQPCVQJUPEO-KZNAEPCWSA-N 1 2 370.497 2.757 20 30 FFEDLO CC(C)c1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)cc1 ZINC001078064691 986963269 /nfs/dbraw/zinc/96/32/69/986963269.db2.gz XLICJUAXWWRKLE-RTBURBONSA-N 1 2 369.490 2.718 20 30 FFEDLO CC(C)c1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)cc1 ZINC001078064691 986963276 /nfs/dbraw/zinc/96/32/76/986963276.db2.gz XLICJUAXWWRKLE-RTBURBONSA-N 1 2 369.490 2.718 20 30 FFEDLO CCOCc1ccccc1CNC(=O)CO[NH+]=C(N)Cc1ccccc1C ZINC000152043158 986994142 /nfs/dbraw/zinc/99/41/42/986994142.db2.gz HLMKTCBSJQJXLC-UHFFFAOYSA-N 1 2 369.465 2.679 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001007529548 1015292084 /nfs/dbraw/zinc/29/20/84/1015292084.db2.gz LLFRCVKSUSRFDM-AYBZRNKSSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001007529548 1015292093 /nfs/dbraw/zinc/29/20/93/1015292093.db2.gz LLFRCVKSUSRFDM-AYBZRNKSSA-N 1 2 359.445 2.593 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001002761924 987458190 /nfs/dbraw/zinc/45/81/90/987458190.db2.gz CTCPHKVGFIKKHY-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001002761924 987458197 /nfs/dbraw/zinc/45/81/97/987458197.db2.gz CTCPHKVGFIKKHY-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO C=C(CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000672675992 987537540 /nfs/dbraw/zinc/53/75/40/987537540.db2.gz TXMMDQFPMPGCDC-OAQYLSRUSA-N 1 2 365.477 2.900 20 30 FFEDLO C=C(CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000672675992 987537546 /nfs/dbraw/zinc/53/75/46/987537546.db2.gz TXMMDQFPMPGCDC-OAQYLSRUSA-N 1 2 365.477 2.900 20 30 FFEDLO C=C(CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000672675991 987538032 /nfs/dbraw/zinc/53/80/32/987538032.db2.gz TXMMDQFPMPGCDC-NRFANRHFSA-N 1 2 365.477 2.900 20 30 FFEDLO C=C(CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000672675991 987538041 /nfs/dbraw/zinc/53/80/41/987538041.db2.gz TXMMDQFPMPGCDC-NRFANRHFSA-N 1 2 365.477 2.900 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+]([C@@H](C)c2cccc(OC)c2)C1 ZINC001031077325 987579562 /nfs/dbraw/zinc/57/95/62/987579562.db2.gz NXHBHVNPJQQSQY-YSSFQJQWSA-N 1 2 358.482 2.928 20 30 FFEDLO C#Cc1cccc(NC(=O)C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3CCC)CC2)c1 ZINC001003584806 988139133 /nfs/dbraw/zinc/13/91/33/988139133.db2.gz YKBCZFQXFMRHHO-YLJYHZDGSA-N 1 2 367.493 2.623 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC001003780916 988290065 /nfs/dbraw/zinc/29/00/65/988290065.db2.gz XBQVQHPBYBFFJW-LPHOPBHVSA-N 1 2 359.470 2.614 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@]2(C)C1 ZINC000993210501 988505066 /nfs/dbraw/zinc/50/50/66/988505066.db2.gz JVFXWHWNVFSDEW-VFNWGFHPSA-N 1 2 366.465 2.696 20 30 FFEDLO C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cccc4[nH+]ccn42)C3)C1 ZINC001004077326 988530907 /nfs/dbraw/zinc/53/09/07/988530907.db2.gz SYIHBFGKADWWJC-OAGGEKHMSA-N 1 2 364.449 2.552 20 30 FFEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CC[C@@H](C)O3)c2C1 ZINC001128498478 988682900 /nfs/dbraw/zinc/68/29/00/988682900.db2.gz DJGDAVKRHWGLRR-VQIMIIECSA-N 1 2 360.502 2.629 20 30 FFEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CC[C@@H](C)O3)c2C1 ZINC001128498478 988682905 /nfs/dbraw/zinc/68/29/05/988682905.db2.gz DJGDAVKRHWGLRR-VQIMIIECSA-N 1 2 360.502 2.629 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000193876751 989091953 /nfs/dbraw/zinc/09/19/53/989091953.db2.gz FOXUXKCVMXKLOF-LJQANCHMSA-N 1 2 365.424 2.862 20 30 FFEDLO CCCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001212211517 989159550 /nfs/dbraw/zinc/15/95/50/989159550.db2.gz TUZCHBZEKUSEQO-NIKGAXFTSA-N 1 2 361.461 2.839 20 30 FFEDLO CCCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001212211517 989159553 /nfs/dbraw/zinc/15/95/53/989159553.db2.gz TUZCHBZEKUSEQO-NIKGAXFTSA-N 1 2 361.461 2.839 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000132814867 989325163 /nfs/dbraw/zinc/32/51/63/989325163.db2.gz NIMWLEJUZPZBCE-PMACEKPBSA-N 1 2 357.404 2.881 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008009539 1015459621 /nfs/dbraw/zinc/45/96/21/1015459621.db2.gz NQBRKEMHLWYOFD-SCTDSRPQSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008009539 1015459631 /nfs/dbraw/zinc/45/96/31/1015459631.db2.gz NQBRKEMHLWYOFD-SCTDSRPQSA-N 1 2 359.445 2.593 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc(C#N)c2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC001168751057 989472323 /nfs/dbraw/zinc/47/23/23/989472323.db2.gz PCJWQGXKLALRNI-IIDMSEBBSA-N 1 2 359.470 2.921 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(C#N)c2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC001168751057 989472325 /nfs/dbraw/zinc/47/23/25/989472325.db2.gz PCJWQGXKLALRNI-IIDMSEBBSA-N 1 2 359.470 2.921 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033286713 989496284 /nfs/dbraw/zinc/49/62/84/989496284.db2.gz NAINZUKJAGGEBM-OTWHNJEPSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033286713 989496285 /nfs/dbraw/zinc/49/62/85/989496285.db2.gz NAINZUKJAGGEBM-OTWHNJEPSA-N 1 2 359.445 2.545 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ncc(CC)o2)C1 ZINC001033497077 989626321 /nfs/dbraw/zinc/62/63/21/989626321.db2.gz SAVQKAAKVAPXGX-IEZWGBDMSA-N 1 2 361.486 2.641 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ncc(CC)o2)C1 ZINC001033497077 989626327 /nfs/dbraw/zinc/62/63/27/989626327.db2.gz SAVQKAAKVAPXGX-IEZWGBDMSA-N 1 2 361.486 2.641 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033954178 989851892 /nfs/dbraw/zinc/85/18/92/989851892.db2.gz LSCMVYSWMDVCHV-ZCNNSNEGSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033954178 989851905 /nfs/dbraw/zinc/85/19/05/989851905.db2.gz LSCMVYSWMDVCHV-ZCNNSNEGSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ncc(CC)o2)C1 ZINC001034212431 989965473 /nfs/dbraw/zinc/96/54/73/989965473.db2.gz JUCVUTOUULANGY-JQHSSLGASA-N 1 2 361.486 2.689 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ncc(CC)o2)C1 ZINC001034212431 989965480 /nfs/dbraw/zinc/96/54/80/989965480.db2.gz JUCVUTOUULANGY-JQHSSLGASA-N 1 2 361.486 2.689 20 30 FFEDLO COCCN(C(C)=O)c1nc(C[N@H+](C)CCc2cccc(C#N)c2)cs1 ZINC000879434780 1015531731 /nfs/dbraw/zinc/53/17/31/1015531731.db2.gz YKUGRVAJSGZENR-UHFFFAOYSA-N 1 2 372.494 2.689 20 30 FFEDLO COCCN(C(C)=O)c1nc(C[N@@H+](C)CCc2cccc(C#N)c2)cs1 ZINC000879434780 1015531742 /nfs/dbraw/zinc/53/17/42/1015531742.db2.gz YKUGRVAJSGZENR-UHFFFAOYSA-N 1 2 372.494 2.689 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ncc(C)o2)C1 ZINC001034437762 990081197 /nfs/dbraw/zinc/08/11/97/990081197.db2.gz YRBQNYBVNQUNRM-LNLFQRSKSA-N 1 2 361.486 2.825 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ncc(C)o2)C1 ZINC001034437762 990081206 /nfs/dbraw/zinc/08/12/06/990081206.db2.gz YRBQNYBVNQUNRM-LNLFQRSKSA-N 1 2 361.486 2.825 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1NC(=O)C#CC(C)C ZINC001212228540 990236034 /nfs/dbraw/zinc/23/60/34/990236034.db2.gz NQJBILOAWQZZMJ-IAGOWNOFSA-N 1 2 368.399 2.680 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1NC(=O)C#CC(C)C ZINC001212228540 990236040 /nfs/dbraw/zinc/23/60/40/990236040.db2.gz NQJBILOAWQZZMJ-IAGOWNOFSA-N 1 2 368.399 2.680 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001062234179 990685431 /nfs/dbraw/zinc/68/54/31/990685431.db2.gz IHEBVDUZEQFQJF-KZNAEPCWSA-N 1 2 370.497 2.779 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001062234179 990685437 /nfs/dbraw/zinc/68/54/37/990685437.db2.gz IHEBVDUZEQFQJF-KZNAEPCWSA-N 1 2 370.497 2.779 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001062262627 990693607 /nfs/dbraw/zinc/69/36/07/990693607.db2.gz AYSPJZCYSPRTCW-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001062262627 990693610 /nfs/dbraw/zinc/69/36/10/990693610.db2.gz AYSPJZCYSPRTCW-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2csc(-c3ccc(OCC)cc3)n2)CC1 ZINC000064443781 991170181 /nfs/dbraw/zinc/17/01/81/991170181.db2.gz GDGZDYNAKLKGAF-UHFFFAOYSA-N 1 2 369.490 2.990 20 30 FFEDLO COCC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CCOCC1 ZINC000879710299 1015650077 /nfs/dbraw/zinc/65/00/77/1015650077.db2.gz UDIDHSQFNOOSRD-HNNXBMFYSA-N 1 2 373.478 2.600 20 30 FFEDLO COCC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CCOCC1 ZINC000879710299 1015650083 /nfs/dbraw/zinc/65/00/83/1015650083.db2.gz UDIDHSQFNOOSRD-HNNXBMFYSA-N 1 2 373.478 2.600 20 30 FFEDLO N#Cc1cnc(NC[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c(Cl)c1 ZINC001065038135 991748845 /nfs/dbraw/zinc/74/88/45/991748845.db2.gz BPZHWKHQABDOLG-BFHYXJOUSA-N 1 2 370.844 2.536 20 30 FFEDLO N#Cc1cnc(NC[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c(Cl)c1 ZINC001065038135 991748851 /nfs/dbraw/zinc/74/88/51/991748851.db2.gz BPZHWKHQABDOLG-BFHYXJOUSA-N 1 2 370.844 2.536 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccoc2C(C)C)C1 ZINC001079147084 991803901 /nfs/dbraw/zinc/80/39/01/991803901.db2.gz WAZWRTILWPPEAG-WOJBJXKFSA-N 1 2 366.461 2.724 20 30 FFEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccoc2C(C)C)C1 ZINC001079147084 991803914 /nfs/dbraw/zinc/80/39/14/991803914.db2.gz WAZWRTILWPPEAG-WOJBJXKFSA-N 1 2 366.461 2.724 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c(C)oc(C)c2C)C1 ZINC001079138226 991827902 /nfs/dbraw/zinc/82/79/02/991827902.db2.gz UNDSDQWWIOTJHL-WOJBJXKFSA-N 1 2 366.461 2.526 20 30 FFEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2c(C)oc(C)c2C)C1 ZINC001079138226 991827908 /nfs/dbraw/zinc/82/79/08/991827908.db2.gz UNDSDQWWIOTJHL-WOJBJXKFSA-N 1 2 366.461 2.526 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1nc(C)c(C)s1 ZINC001485361403 991917949 /nfs/dbraw/zinc/91/79/49/991917949.db2.gz FGFFVSQMKJCBOE-NUTKFTJISA-N 1 2 351.516 2.678 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1nc(C)c(C)s1 ZINC001485361403 991917960 /nfs/dbraw/zinc/91/79/60/991917960.db2.gz FGFFVSQMKJCBOE-NUTKFTJISA-N 1 2 351.516 2.678 20 30 FFEDLO Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2ccccc2F)o1 ZINC001079295551 991981856 /nfs/dbraw/zinc/98/18/56/991981856.db2.gz MEDADFDMFMDECQ-PKOBYXMFSA-N 1 2 367.424 2.620 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1ccncc1 ZINC001079354083 992034509 /nfs/dbraw/zinc/03/45/09/992034509.db2.gz FBPJWDRFFSYAMA-DNVCBOLYSA-N 1 2 353.853 2.837 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1ccncc1 ZINC001079354083 992034518 /nfs/dbraw/zinc/03/45/18/992034518.db2.gz FBPJWDRFFSYAMA-DNVCBOLYSA-N 1 2 353.853 2.837 20 30 FFEDLO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]2C)no1 ZINC001079502463 992145654 /nfs/dbraw/zinc/14/56/54/992145654.db2.gz UGUQKJMZNGEFMT-AUUYWEPGSA-N 1 2 371.868 2.667 20 30 FFEDLO Cc1cc(CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]2C)no1 ZINC001079502463 992145659 /nfs/dbraw/zinc/14/56/59/992145659.db2.gz UGUQKJMZNGEFMT-AUUYWEPGSA-N 1 2 371.868 2.667 20 30 FFEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001079539900 992192124 /nfs/dbraw/zinc/19/21/24/992192124.db2.gz MYIBXTFUKHXPJZ-DVOMOZLQSA-N 1 2 369.469 2.983 20 30 FFEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001079539900 992192131 /nfs/dbraw/zinc/19/21/31/992192131.db2.gz MYIBXTFUKHXPJZ-DVOMOZLQSA-N 1 2 369.469 2.983 20 30 FFEDLO CCN1C[C@@H](C[N@H+](C)CC(=O)NC2(C#N)CCCCC2)Oc2ccccc21 ZINC000198589744 992401567 /nfs/dbraw/zinc/40/15/67/992401567.db2.gz VKOMGQGDRUBDIC-QGZVFWFLSA-N 1 2 370.497 2.548 20 30 FFEDLO CCN1C[C@@H](C[N@@H+](C)CC(=O)NC2(C#N)CCCCC2)Oc2ccccc21 ZINC000198589744 992401574 /nfs/dbraw/zinc/40/15/74/992401574.db2.gz VKOMGQGDRUBDIC-QGZVFWFLSA-N 1 2 370.497 2.548 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC001079900428 992538071 /nfs/dbraw/zinc/53/80/71/992538071.db2.gz GLRMVAHBGQZQJL-MLGOLLRUSA-N 1 2 366.303 2.993 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC001079900428 992538082 /nfs/dbraw/zinc/53/80/82/992538082.db2.gz GLRMVAHBGQZQJL-MLGOLLRUSA-N 1 2 366.303 2.993 20 30 FFEDLO Cc1noc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)c1C ZINC001079924890 992574961 /nfs/dbraw/zinc/57/49/61/992574961.db2.gz CPKXVIZAQXNJLJ-PIGZYNQJSA-N 1 2 356.401 2.553 20 30 FFEDLO Cc1noc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)c1C ZINC001079924890 992574969 /nfs/dbraw/zinc/57/49/69/992574969.db2.gz CPKXVIZAQXNJLJ-PIGZYNQJSA-N 1 2 356.401 2.553 20 30 FFEDLO COCc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)o1 ZINC001080087200 992692613 /nfs/dbraw/zinc/69/26/13/992692613.db2.gz PNGTYROTIROAOC-FZKQIMNGSA-N 1 2 371.412 2.687 20 30 FFEDLO COCc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)o1 ZINC001080087200 992692617 /nfs/dbraw/zinc/69/26/17/992692617.db2.gz PNGTYROTIROAOC-FZKQIMNGSA-N 1 2 371.412 2.687 20 30 FFEDLO NC(=NOCCCOc1ccccc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000072060205 992728350 /nfs/dbraw/zinc/72/83/50/992728350.db2.gz VPNDVQDQRDNTKP-UHFFFAOYSA-N 1 2 369.465 2.625 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001008848241 1015730222 /nfs/dbraw/zinc/73/02/22/1015730222.db2.gz YBKZQAVOORNVRW-IEZWGBDMSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001008848241 1015730228 /nfs/dbraw/zinc/73/02/28/1015730228.db2.gz YBKZQAVOORNVRW-IEZWGBDMSA-N 1 2 359.470 2.614 20 30 FFEDLO Cc1cncc(CC(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)c1 ZINC001080201800 992845633 /nfs/dbraw/zinc/84/56/33/992845633.db2.gz XARMLNAFGLXEDI-FOIQADDNSA-N 1 2 366.440 2.580 20 30 FFEDLO Cc1cncc(CC(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)c1 ZINC001080201800 992845640 /nfs/dbraw/zinc/84/56/40/992845640.db2.gz XARMLNAFGLXEDI-FOIQADDNSA-N 1 2 366.440 2.580 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCO[C@@H](C(F)(F)F)CC3)C2=O)cc1 ZINC000880053483 1015744065 /nfs/dbraw/zinc/74/40/65/1015744065.db2.gz NMWOLNCQQRDWBB-HZPDHXFCSA-N 1 2 367.371 2.707 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCO[C@@H](C(F)(F)F)CC3)C2=O)cc1 ZINC000880053483 1015744071 /nfs/dbraw/zinc/74/40/71/1015744071.db2.gz NMWOLNCQQRDWBB-HZPDHXFCSA-N 1 2 367.371 2.707 20 30 FFEDLO C=C1CCC(C(=O)N2CCCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000943335059 992981169 /nfs/dbraw/zinc/98/11/69/992981169.db2.gz DRVKRSOUQHHENI-KZNAEPCWSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CCC(C(=O)N2CCCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000943335059 992981178 /nfs/dbraw/zinc/98/11/78/992981178.db2.gz DRVKRSOUQHHENI-KZNAEPCWSA-N 1 2 370.497 2.757 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000880090559 1015752994 /nfs/dbraw/zinc/75/29/94/1015752994.db2.gz LPAZGIPZFQHASD-CABCVRRESA-N 1 2 359.470 2.631 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000880090559 1015752998 /nfs/dbraw/zinc/75/29/98/1015752998.db2.gz LPAZGIPZFQHASD-CABCVRRESA-N 1 2 359.470 2.631 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1ocnc1C1CC1 ZINC001080438469 993057379 /nfs/dbraw/zinc/05/73/79/993057379.db2.gz ZEWZBIQMEGKOLD-SJKOYZFVSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1ocnc1C1CC1 ZINC001080438469 993057386 /nfs/dbraw/zinc/05/73/86/993057386.db2.gz ZEWZBIQMEGKOLD-SJKOYZFVSA-N 1 2 368.412 2.813 20 30 FFEDLO CC(C)n1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)n1 ZINC001080543737 993133565 /nfs/dbraw/zinc/13/35/65/993133565.db2.gz HGBJDMNVCMSKJL-AUUYWEPGSA-N 1 2 369.444 2.725 20 30 FFEDLO CC(C)n1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)n1 ZINC001080543737 993133570 /nfs/dbraw/zinc/13/35/70/993133570.db2.gz HGBJDMNVCMSKJL-AUUYWEPGSA-N 1 2 369.444 2.725 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC3CCCC3)c2)C1 ZINC001080680812 993270226 /nfs/dbraw/zinc/27/02/26/993270226.db2.gz OZIHFBNCXOVPKM-CXAGYDPISA-N 1 2 350.894 2.876 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC3CCCC3)c2)C1 ZINC001080680812 993270231 /nfs/dbraw/zinc/27/02/31/993270231.db2.gz OZIHFBNCXOVPKM-CXAGYDPISA-N 1 2 350.894 2.876 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cc(Cl)no1 ZINC001080823943 993398818 /nfs/dbraw/zinc/39/88/18/993398818.db2.gz PRIRVHRSUHCCSO-BXKDBHETSA-N 1 2 350.831 2.511 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cc(Cl)no1 ZINC001080823943 993398820 /nfs/dbraw/zinc/39/88/20/993398820.db2.gz PRIRVHRSUHCCSO-BXKDBHETSA-N 1 2 350.831 2.511 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(COC)cc2)C1 ZINC001080921219 993476582 /nfs/dbraw/zinc/47/65/82/993476582.db2.gz ALHUQWCMCYCERC-MLGOLLRUSA-N 1 2 367.287 2.792 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(COC)cc2)C1 ZINC001080921219 993476584 /nfs/dbraw/zinc/47/65/84/993476584.db2.gz ALHUQWCMCYCERC-MLGOLLRUSA-N 1 2 367.287 2.792 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(N(CC)CC)nc2)C1 ZINC001081035758 993563040 /nfs/dbraw/zinc/56/30/40/993563040.db2.gz UGFJKQUQFWAXOX-CZUORRHYSA-N 1 2 350.894 2.730 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(N(CC)CC)nc2)C1 ZINC001081035758 993563047 /nfs/dbraw/zinc/56/30/47/993563047.db2.gz UGFJKQUQFWAXOX-CZUORRHYSA-N 1 2 350.894 2.730 20 30 FFEDLO CCOc1cccnc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001081065013 993580432 /nfs/dbraw/zinc/58/04/32/993580432.db2.gz MPFFSKIGVNILAW-CRAIPNDOSA-N 1 2 364.449 2.602 20 30 FFEDLO CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001081065013 993580441 /nfs/dbraw/zinc/58/04/41/993580441.db2.gz MPFFSKIGVNILAW-CRAIPNDOSA-N 1 2 364.449 2.602 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3n(c2)CCCC3)C1 ZINC001081068366 993584259 /nfs/dbraw/zinc/58/42/59/993584259.db2.gz UJAAEFLVVBOURT-MLGOLLRUSA-N 1 2 366.303 2.783 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3n(c2)CCCC3)C1 ZINC001081068366 993584267 /nfs/dbraw/zinc/58/42/67/993584267.db2.gz UJAAEFLVVBOURT-MLGOLLRUSA-N 1 2 366.303 2.783 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1=CCCCCC1 ZINC001081591474 993903478 /nfs/dbraw/zinc/90/34/78/993903478.db2.gz XISRMWJVINQUAP-QZTJIDSGSA-N 1 2 359.495 2.826 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1=CCCCCC1 ZINC001081591474 993903482 /nfs/dbraw/zinc/90/34/82/993903482.db2.gz XISRMWJVINQUAP-QZTJIDSGSA-N 1 2 359.495 2.826 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C12CCC(CC1)C2 ZINC001081857770 994024597 /nfs/dbraw/zinc/02/45/97/994024597.db2.gz BDSNOWJGBPLQNC-JAQPBELDSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C12CCC(CC1)C2 ZINC001081857770 994024602 /nfs/dbraw/zinc/02/46/02/994024602.db2.gz BDSNOWJGBPLQNC-JAQPBELDSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C12CCC(CC1)C2 ZINC001081857975 994025529 /nfs/dbraw/zinc/02/55/29/994025529.db2.gz NQEVUCMNFZZRGP-JAQPBELDSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C12CCC(CC1)C2 ZINC001081857975 994025540 /nfs/dbraw/zinc/02/55/40/994025540.db2.gz NQEVUCMNFZZRGP-JAQPBELDSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H](C)c1cccs1 ZINC001082126365 994181465 /nfs/dbraw/zinc/18/14/65/994181465.db2.gz DLWOCTRFZXPLKQ-BMGDILEWSA-N 1 2 369.490 2.739 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H](C)c1cccs1 ZINC001082126365 994181470 /nfs/dbraw/zinc/18/14/70/994181470.db2.gz DLWOCTRFZXPLKQ-BMGDILEWSA-N 1 2 369.490 2.739 20 30 FFEDLO C#CCC1(O)CC[NH+](Cc2csc(CC(=O)Nc3ccccc3)n2)CC1 ZINC000880481478 1015847511 /nfs/dbraw/zinc/84/75/11/1015847511.db2.gz UYTMPZYERDXQCM-UHFFFAOYSA-N 1 2 369.490 2.675 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cc(C)ccc1C ZINC001082343831 994395324 /nfs/dbraw/zinc/39/53/24/994395324.db2.gz JJLFYNVTZPGYJQ-FGZHOGPDSA-N 1 2 362.473 2.784 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cc(C)ccc1C ZINC001082343831 994395332 /nfs/dbraw/zinc/39/53/32/994395332.db2.gz JJLFYNVTZPGYJQ-FGZHOGPDSA-N 1 2 362.473 2.784 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1Cl ZINC001082339629 994417676 /nfs/dbraw/zinc/41/76/76/994417676.db2.gz WQQYAVPFIOFDPG-WOJBJXKFSA-N 1 2 368.864 2.821 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1Cl ZINC001082339629 994417682 /nfs/dbraw/zinc/41/76/82/994417682.db2.gz WQQYAVPFIOFDPG-WOJBJXKFSA-N 1 2 368.864 2.821 20 30 FFEDLO CCn1nc(C)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097909479 1015882937 /nfs/dbraw/zinc/88/29/37/1015882937.db2.gz MRPVFEYQDIDLGW-QRVBRYPASA-N 1 2 363.465 2.618 20 30 FFEDLO CCn1nc(C)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097909479 1015882952 /nfs/dbraw/zinc/88/29/52/1015882952.db2.gz MRPVFEYQDIDLGW-QRVBRYPASA-N 1 2 363.465 2.618 20 30 FFEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001082525046 994824075 /nfs/dbraw/zinc/82/40/75/994824075.db2.gz WQMSTPPLHRFVOJ-OWYVNGRQSA-N 1 2 361.314 2.534 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001082525046 994824083 /nfs/dbraw/zinc/82/40/83/994824083.db2.gz WQMSTPPLHRFVOJ-OWYVNGRQSA-N 1 2 361.314 2.534 20 30 FFEDLO C#Cc1ccccc1CC(=O)OC[C@@H]1CCC[N@H+]1CC(=O)OC(C)(C)C ZINC000810604017 994846487 /nfs/dbraw/zinc/84/64/87/994846487.db2.gz ISZSSVXLSFVLHJ-SFHVURJKSA-N 1 2 357.450 2.560 20 30 FFEDLO C#Cc1ccccc1CC(=O)OC[C@@H]1CCC[N@@H+]1CC(=O)OC(C)(C)C ZINC000810604017 994846497 /nfs/dbraw/zinc/84/64/97/994846497.db2.gz ISZSSVXLSFVLHJ-SFHVURJKSA-N 1 2 357.450 2.560 20 30 FFEDLO C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)c3noc(C)n3)C2)cc1 ZINC001082600403 995045365 /nfs/dbraw/zinc/04/53/65/995045365.db2.gz UUBXGLLNKPPEBQ-HBUWYVDXSA-N 1 2 370.453 2.754 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccns1 ZINC001098009728 1015933078 /nfs/dbraw/zinc/93/30/78/1015933078.db2.gz QUTHSXAOWPZUOH-WJNMYVKJSA-N 1 2 361.511 2.736 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccns1 ZINC001098009728 1015933083 /nfs/dbraw/zinc/93/30/83/1015933083.db2.gz QUTHSXAOWPZUOH-WJNMYVKJSA-N 1 2 361.511 2.736 20 30 FFEDLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@H]1COC(=O)/C=C/c1ccccc1C#N ZINC000747795633 995478055 /nfs/dbraw/zinc/47/80/55/995478055.db2.gz KXFCLVXQMFZGIA-ZGKFYVQTSA-N 1 2 370.449 2.921 20 30 FFEDLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@H]1COC(=O)/C=C/c1ccccc1C#N ZINC000747795633 995478064 /nfs/dbraw/zinc/47/80/64/995478064.db2.gz KXFCLVXQMFZGIA-ZGKFYVQTSA-N 1 2 370.449 2.921 20 30 FFEDLO C#CCC[C@@H](O)CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000812967211 995587663 /nfs/dbraw/zinc/58/76/63/995587663.db2.gz CMZWPTKVTUWGDQ-GOSISDBHSA-N 1 2 352.438 2.782 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000826704477 1015975788 /nfs/dbraw/zinc/97/57/88/1015975788.db2.gz UFAMQMCQGKEKHH-JXFKEZNVSA-N 1 2 357.454 2.551 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000826704477 1015975794 /nfs/dbraw/zinc/97/57/94/1015975794.db2.gz UFAMQMCQGKEKHH-JXFKEZNVSA-N 1 2 357.454 2.551 20 30 FFEDLO Cc1ccsc1C(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001082980701 995946873 /nfs/dbraw/zinc/94/68/73/995946873.db2.gz OIDNYQPVUOSGRR-ZWKOTPCHSA-N 1 2 367.474 2.654 20 30 FFEDLO Cc1ccsc1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001082980701 995946879 /nfs/dbraw/zinc/94/68/79/995946879.db2.gz OIDNYQPVUOSGRR-ZWKOTPCHSA-N 1 2 367.474 2.654 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)C=C4CCCCC4)[C@H]3C2)s1 ZINC001083017603 996013911 /nfs/dbraw/zinc/01/39/11/996013911.db2.gz KYFFIDPBBPTZDA-RBUKOAKNSA-N 1 2 371.506 2.922 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C=C4CCCCC4)[C@H]3C2)s1 ZINC001083017603 996013918 /nfs/dbraw/zinc/01/39/18/996013918.db2.gz KYFFIDPBBPTZDA-RBUKOAKNSA-N 1 2 371.506 2.922 20 30 FFEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)C1(C2CCCCC2)CC1 ZINC001084000299 996215371 /nfs/dbraw/zinc/21/53/71/996215371.db2.gz WLTGLDXDRINBEX-RTWAWAEBSA-N 1 2 366.505 2.560 20 30 FFEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)C1(C2CCCCC2)CC1 ZINC001084000299 996215373 /nfs/dbraw/zinc/21/53/73/996215373.db2.gz WLTGLDXDRINBEX-RTWAWAEBSA-N 1 2 366.505 2.560 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cccs3)[C@@H]2C1 ZINC001084156783 996285873 /nfs/dbraw/zinc/28/58/73/996285873.db2.gz ZVLPQESNKANLQJ-IEBWSBKVSA-N 1 2 351.475 2.895 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cccs3)[C@@H]2C1 ZINC001084156783 996285877 /nfs/dbraw/zinc/28/58/77/996285877.db2.gz ZVLPQESNKANLQJ-IEBWSBKVSA-N 1 2 351.475 2.895 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(Cl)cc4)C[C@H]32)on1 ZINC001084183522 996314948 /nfs/dbraw/zinc/31/49/48/996314948.db2.gz BLQDLAWDFHLJKV-SJLPKXTDSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(Cl)cc4)C[C@H]32)on1 ZINC001084183522 996314954 /nfs/dbraw/zinc/31/49/54/996314954.db2.gz BLQDLAWDFHLJKV-SJLPKXTDSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1cccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)n1 ZINC001084194999 996328143 /nfs/dbraw/zinc/32/81/43/996328143.db2.gz NJQMQOFBJRWCAR-OXQOHEQNSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)n1 ZINC001084194999 996328144 /nfs/dbraw/zinc/32/81/44/996328144.db2.gz NJQMQOFBJRWCAR-OXQOHEQNSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1ncsc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084207535 996341758 /nfs/dbraw/zinc/34/17/58/996341758.db2.gz QQDXTVVVFLYCSL-QZTJIDSGSA-N 1 2 351.475 2.650 20 30 FFEDLO Cc1ncsc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084207535 996341762 /nfs/dbraw/zinc/34/17/62/996341762.db2.gz QQDXTVVVFLYCSL-QZTJIDSGSA-N 1 2 351.475 2.650 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)COC4CCCC4)[C@@H]3C2)ccc1F ZINC001084208244 996343526 /nfs/dbraw/zinc/34/35/26/996343526.db2.gz NJCRLCDLEIOZDA-OXQOHEQNSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)COC4CCCC4)[C@@H]3C2)ccc1F ZINC001084208244 996343528 /nfs/dbraw/zinc/34/35/28/996343528.db2.gz NJCRLCDLEIOZDA-OXQOHEQNSA-N 1 2 371.456 2.689 20 30 FFEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@H]21 ZINC001084232810 996382950 /nfs/dbraw/zinc/38/29/50/996382950.db2.gz IUYKOMRHESPMSO-JCKWVBRZSA-N 1 2 368.412 2.673 20 30 FFEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@H]21 ZINC001084232810 996382954 /nfs/dbraw/zinc/38/29/54/996382954.db2.gz IUYKOMRHESPMSO-JCKWVBRZSA-N 1 2 368.412 2.673 20 30 FFEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Br)cc3)C[C@H]21 ZINC001084233234 996383783 /nfs/dbraw/zinc/38/37/83/996383783.db2.gz YGYDYOVOQNOETC-JGGQBBKZSA-N 1 2 362.271 2.641 20 30 FFEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(Br)cc3)C[C@H]21 ZINC001084233234 996383789 /nfs/dbraw/zinc/38/37/89/996383789.db2.gz YGYDYOVOQNOETC-JGGQBBKZSA-N 1 2 362.271 2.641 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CCCCO4)[C@@H]3C2)c(F)c1 ZINC001084272347 996418441 /nfs/dbraw/zinc/41/84/41/996418441.db2.gz VMIIKEBCODAOFN-WSTZPKSXSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CCCCO4)[C@@H]3C2)c(F)c1 ZINC001084272347 996418444 /nfs/dbraw/zinc/41/84/44/996418444.db2.gz VMIIKEBCODAOFN-WSTZPKSXSA-N 1 2 371.456 2.689 20 30 FFEDLO Cc1ccn(C)c1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084304840 996436843 /nfs/dbraw/zinc/43/68/43/996436843.db2.gz YSIYOEDYQCTLLG-UYAOXDASSA-N 1 2 365.452 2.671 20 30 FFEDLO Cc1ccn(C)c1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084304840 996436845 /nfs/dbraw/zinc/43/68/45/996436845.db2.gz YSIYOEDYQCTLLG-UYAOXDASSA-N 1 2 365.452 2.671 20 30 FFEDLO CCOC1CC(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)C1 ZINC001084322491 996454395 /nfs/dbraw/zinc/45/43/95/996454395.db2.gz IOONTZFZLCNWGF-CKVGWXAMSA-N 1 2 371.456 2.545 20 30 FFEDLO CCOC1CC(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)C1 ZINC001084322491 996454398 /nfs/dbraw/zinc/45/43/98/996454398.db2.gz IOONTZFZLCNWGF-CKVGWXAMSA-N 1 2 371.456 2.545 20 30 FFEDLO O=C(N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21)C1(F)CCCC1 ZINC001084469638 996580342 /nfs/dbraw/zinc/58/03/42/996580342.db2.gz FZYODNRWEWTWKZ-IEBWSBKVSA-N 1 2 358.432 2.992 20 30 FFEDLO O=C(N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21)C1(F)CCCC1 ZINC001084469638 996580347 /nfs/dbraw/zinc/58/03/47/996580347.db2.gz FZYODNRWEWTWKZ-IEBWSBKVSA-N 1 2 358.432 2.992 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c(OC)cccc3OC)[C@@H]2C1 ZINC001084489831 996609560 /nfs/dbraw/zinc/60/95/60/996609560.db2.gz CLAGWAATNSCAJR-GDBMZVCRSA-N 1 2 364.873 2.532 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c(OC)cccc3OC)[C@@H]2C1 ZINC001084489831 996609564 /nfs/dbraw/zinc/60/95/64/996609564.db2.gz CLAGWAATNSCAJR-GDBMZVCRSA-N 1 2 364.873 2.532 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)nc1C ZINC001084523070 996644385 /nfs/dbraw/zinc/64/43/85/996644385.db2.gz VWSUNOFGPXILTJ-DNVCBOLYSA-N 1 2 366.490 2.978 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)nc1C ZINC001084523070 996644388 /nfs/dbraw/zinc/64/43/88/996644388.db2.gz VWSUNOFGPXILTJ-DNVCBOLYSA-N 1 2 366.490 2.978 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccnc3)[C@@H]2C1 ZINC001084678105 996846109 /nfs/dbraw/zinc/84/61/09/996846109.db2.gz WJYZZPFSOIHBQH-CIAFKFPVSA-N 1 2 372.472 2.790 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccnc3)[C@@H]2C1 ZINC001084678105 996846118 /nfs/dbraw/zinc/84/61/18/996846118.db2.gz WJYZZPFSOIHBQH-CIAFKFPVSA-N 1 2 372.472 2.790 20 30 FFEDLO O=C(c1ccncc1Cl)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084681332 996881339 /nfs/dbraw/zinc/88/13/39/996881339.db2.gz DQJPPICCQAVBPN-YLJYHZDGSA-N 1 2 365.864 2.933 20 30 FFEDLO O=C(c1ccncc1Cl)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084681332 996881351 /nfs/dbraw/zinc/88/13/51/996881351.db2.gz DQJPPICCQAVBPN-YLJYHZDGSA-N 1 2 365.864 2.933 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000824867627 997114505 /nfs/dbraw/zinc/11/45/05/997114505.db2.gz UADKDQGVKYMUOS-UHFFFAOYSA-N 1 2 365.433 2.939 20 30 FFEDLO CC(C)c1oncc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084753292 997204063 /nfs/dbraw/zinc/20/40/63/997204063.db2.gz DISKNINNHMTKMM-UYAOXDASSA-N 1 2 363.461 2.996 20 30 FFEDLO CC(C)c1oncc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084753292 997204073 /nfs/dbraw/zinc/20/40/73/997204073.db2.gz DISKNINNHMTKMM-UYAOXDASSA-N 1 2 363.461 2.996 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cn(CCCC)nc3C)[C@@H]2C1 ZINC001084765467 997259469 /nfs/dbraw/zinc/25/94/69/997259469.db2.gz ASXDKQKLOLTCQA-NVXWUHKLSA-N 1 2 350.894 2.890 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(CCCC)nc3C)[C@@H]2C1 ZINC001084765467 997259476 /nfs/dbraw/zinc/25/94/76/997259476.db2.gz ASXDKQKLOLTCQA-NVXWUHKLSA-N 1 2 350.894 2.890 20 30 FFEDLO C#CCOc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000731111980 997686318 /nfs/dbraw/zinc/68/63/18/997686318.db2.gz SWHMLUJTGHMXSY-UHFFFAOYSA-N 1 2 374.444 2.920 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)c(C#N)c1C ZINC000844366012 997836433 /nfs/dbraw/zinc/83/64/33/997836433.db2.gz KQYMLYPRKCQBDR-SCLBCKFNSA-N 1 2 366.421 2.632 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c(C#N)c1C ZINC000844366012 997836447 /nfs/dbraw/zinc/83/64/47/997836447.db2.gz KQYMLYPRKCQBDR-SCLBCKFNSA-N 1 2 366.421 2.632 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H](C)CO1 ZINC000844390362 997851597 /nfs/dbraw/zinc/85/15/97/997851597.db2.gz GSZUUYQUWSVZMQ-FVQBIDKESA-N 1 2 350.422 2.723 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H](C)CO1 ZINC000844390362 997851604 /nfs/dbraw/zinc/85/16/04/997851604.db2.gz GSZUUYQUWSVZMQ-FVQBIDKESA-N 1 2 350.422 2.723 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844438886 997908056 /nfs/dbraw/zinc/90/80/56/997908056.db2.gz UAEWSDBOZXSXBC-SFHVURJKSA-N 1 2 371.391 2.804 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844438886 997908065 /nfs/dbraw/zinc/90/80/65/997908065.db2.gz UAEWSDBOZXSXBC-SFHVURJKSA-N 1 2 371.391 2.804 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(CC#N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000881148371 1016181346 /nfs/dbraw/zinc/18/13/46/1016181346.db2.gz XVIKJRXROMJCIN-AEFFLSMTSA-N 1 2 371.391 2.993 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(CC#N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000881148371 1016181352 /nfs/dbraw/zinc/18/13/52/1016181352.db2.gz XVIKJRXROMJCIN-AEFFLSMTSA-N 1 2 371.391 2.993 20 30 FFEDLO O=C(c1ncc[nH]1)N1CC[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC001084936775 998193824 /nfs/dbraw/zinc/19/38/24/998193824.db2.gz MAUODBJJNJTILV-AEFFLSMTSA-N 1 2 368.868 2.651 20 30 FFEDLO O=C(c1ncc[nH]1)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC001084936775 998193835 /nfs/dbraw/zinc/19/38/35/998193835.db2.gz MAUODBJJNJTILV-AEFFLSMTSA-N 1 2 368.868 2.651 20 30 FFEDLO C=CCNC(=O)[C@@H](C)OC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000731916459 998339654 /nfs/dbraw/zinc/33/96/54/998339654.db2.gz OOLDHEYMIQIUAN-IAGOWNOFSA-N 1 2 358.482 2.564 20 30 FFEDLO C#Cc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CC(=O)OC)cc1 ZINC001144576581 998662322 /nfs/dbraw/zinc/66/23/22/998662322.db2.gz NPXPPKXTCJOCSI-GOSISDBHSA-N 1 2 372.465 2.652 20 30 FFEDLO C#Cc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CC(=O)OC)cc1 ZINC001144576581 998662324 /nfs/dbraw/zinc/66/23/24/998662324.db2.gz NPXPPKXTCJOCSI-GOSISDBHSA-N 1 2 372.465 2.652 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085599835 999585911 /nfs/dbraw/zinc/58/59/11/999585911.db2.gz CAYGHTUXGUNNTM-NJYVYQBISA-N 1 2 352.478 2.552 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085599835 999585918 /nfs/dbraw/zinc/58/59/18/999585918.db2.gz CAYGHTUXGUNNTM-NJYVYQBISA-N 1 2 352.478 2.552 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000741789114 999742502 /nfs/dbraw/zinc/74/25/02/999742502.db2.gz TTYVRJOMIJHVFG-OXJNMPFZSA-N 1 2 364.449 2.546 20 30 FFEDLO CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001109032042 1000153369 /nfs/dbraw/zinc/15/33/69/1000153369.db2.gz UKCCDIXBEIYLQB-QYZOEREBSA-N 1 2 360.885 2.840 20 30 FFEDLO CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001109032042 1000153370 /nfs/dbraw/zinc/15/33/70/1000153370.db2.gz UKCCDIXBEIYLQB-QYZOEREBSA-N 1 2 360.885 2.840 20 30 FFEDLO Cc1ccc(CCON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000767932798 1000162244 /nfs/dbraw/zinc/16/22/44/1000162244.db2.gz BZZQNYHCUKNJOC-UHFFFAOYSA-N 1 2 353.466 2.707 20 30 FFEDLO Cc1cc(NC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC001054529385 1016391468 /nfs/dbraw/zinc/39/14/68/1016391468.db2.gz APIKSHBMYDYBAE-CZUORRHYSA-N 1 2 366.469 2.928 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[C@H]2CCOC2)C3)c(F)c1 ZINC001109144332 1000177283 /nfs/dbraw/zinc/17/72/83/1000177283.db2.gz NLNBIRBPXCKLPJ-KTGNWYGMSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[C@H]2CCOC2)C3)c(F)c1 ZINC001109144332 1000177284 /nfs/dbraw/zinc/17/72/84/1000177284.db2.gz NLNBIRBPXCKLPJ-KTGNWYGMSA-N 1 2 371.456 2.736 20 30 FFEDLO CC[C@H](C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109162470 1000177620 /nfs/dbraw/zinc/17/76/20/1000177620.db2.gz MTFAEELDLWYDKT-BIGGFVEDSA-N 1 2 359.445 2.734 20 30 FFEDLO CC[C@H](C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109162470 1000177622 /nfs/dbraw/zinc/17/76/22/1000177622.db2.gz MTFAEELDLWYDKT-BIGGFVEDSA-N 1 2 359.445 2.734 20 30 FFEDLO CO[C@@H](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109185330 1000180921 /nfs/dbraw/zinc/18/09/21/1000180921.db2.gz BFWLASGFFCXUND-BIGGFVEDSA-N 1 2 359.445 2.734 20 30 FFEDLO CO[C@@H](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109185330 1000180923 /nfs/dbraw/zinc/18/09/23/1000180923.db2.gz BFWLASGFFCXUND-BIGGFVEDSA-N 1 2 359.445 2.734 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1nc(-c2ccco2)no1 ZINC001109207012 1000186317 /nfs/dbraw/zinc/18/63/17/1000186317.db2.gz WZOLPUPTMCOAAG-WCVJEAGWSA-N 1 2 368.437 2.916 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1nc(-c2ccco2)no1 ZINC001109207012 1000186318 /nfs/dbraw/zinc/18/63/18/1000186318.db2.gz WZOLPUPTMCOAAG-WCVJEAGWSA-N 1 2 368.437 2.916 20 30 FFEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001171211396 1000199115 /nfs/dbraw/zinc/19/91/15/1000199115.db2.gz ZCHLQDZXDUCJEH-CRAIPNDOSA-N 1 2 359.470 2.715 20 30 FFEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001171211396 1000199118 /nfs/dbraw/zinc/19/91/18/1000199118.db2.gz ZCHLQDZXDUCJEH-CRAIPNDOSA-N 1 2 359.470 2.715 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001109271369 1000213039 /nfs/dbraw/zinc/21/30/39/1000213039.db2.gz MQYCPXJTYUWWOV-RYRKJORJSA-N 1 2 360.502 2.831 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C)n(C)n1 ZINC001109281389 1000224413 /nfs/dbraw/zinc/22/44/13/1000224413.db2.gz DYGCSVPYKYJYCY-AABGKKOBSA-N 1 2 374.529 2.713 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C)n(C)n1 ZINC001109281389 1000224418 /nfs/dbraw/zinc/22/44/18/1000224418.db2.gz DYGCSVPYKYJYCY-AABGKKOBSA-N 1 2 374.529 2.713 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCC(C)CC1 ZINC001109355000 1000300241 /nfs/dbraw/zinc/30/02/41/1000300241.db2.gz GSZLABXZKOUWQP-GXZRBYELSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCC(C)CC1 ZINC001109355000 1000300248 /nfs/dbraw/zinc/30/02/48/1000300248.db2.gz GSZLABXZKOUWQP-GXZRBYELSA-N 1 2 361.530 2.759 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1CCCC[C@H]1Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001091281358 1000365954 /nfs/dbraw/zinc/36/59/54/1000365954.db2.gz HFHMMGICNXCVTA-IAGOWNOFSA-N 1 2 358.486 2.788 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)c2ncc(C)o2)CCOCC1 ZINC001109390915 1000379989 /nfs/dbraw/zinc/37/99/89/1000379989.db2.gz KTNZKJQXAPRRDP-MHORFTMASA-N 1 2 371.481 2.586 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)c2ncc(C)o2)CCOCC1 ZINC001109390915 1000379993 /nfs/dbraw/zinc/37/99/93/1000379993.db2.gz KTNZKJQXAPRRDP-MHORFTMASA-N 1 2 371.481 2.586 20 30 FFEDLO C=CCCC(=O)NC[C@H]1CC[C@@H](Nc2[nH+]c(C)nc(-n3cccn3)c2C)C1 ZINC001091556639 1000659603 /nfs/dbraw/zinc/65/96/03/1000659603.db2.gz WLPBXMIFXOBLQJ-DLBZAZTESA-N 1 2 368.485 2.942 20 30 FFEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091564562 1000687294 /nfs/dbraw/zinc/68/72/94/1000687294.db2.gz IMOUUSQHXWGZFV-NBQZKYEYSA-N 1 2 358.486 2.686 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)Nc1ccccc1 ZINC001109605850 1000715982 /nfs/dbraw/zinc/71/59/82/1000715982.db2.gz URUYRZFMWRANIA-RANZSIQMSA-N 1 2 355.482 2.947 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)Nc1ccccc1 ZINC001109605850 1000715989 /nfs/dbraw/zinc/71/59/89/1000715989.db2.gz URUYRZFMWRANIA-RANZSIQMSA-N 1 2 355.482 2.947 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC(C)(C)C ZINC001109635780 1000761142 /nfs/dbraw/zinc/76/11/42/1000761142.db2.gz RGROXKWEQSZBQO-BDXSIMOUSA-N 1 2 363.546 2.863 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC(C)(C)C ZINC001109635780 1000761154 /nfs/dbraw/zinc/76/11/54/1000761154.db2.gz RGROXKWEQSZBQO-BDXSIMOUSA-N 1 2 363.546 2.863 20 30 FFEDLO N#Cc1ccc(CCNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)cc1 ZINC001147172129 1000834158 /nfs/dbraw/zinc/83/41/58/1000834158.db2.gz ISGGXNHWYCGUBN-UHFFFAOYSA-N 1 2 359.433 2.839 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccc3nsnc31)C2 ZINC001096691480 1016444963 /nfs/dbraw/zinc/44/49/63/1016444963.db2.gz WIDKRRJMBFPBOG-SNPRPXQTSA-N 1 2 362.886 2.708 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccc3nsnc31)C2 ZINC001096691480 1016444969 /nfs/dbraw/zinc/44/49/69/1016444969.db2.gz WIDKRRJMBFPBOG-SNPRPXQTSA-N 1 2 362.886 2.708 20 30 FFEDLO Cc1nc(N[C@@H]2CC[C@H](CNC(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)ccc1C#N ZINC001091640273 1000929323 /nfs/dbraw/zinc/92/93/23/1000929323.db2.gz HERGYFSWSYXLPC-UKPHBRMFSA-N 1 2 366.469 2.560 20 30 FFEDLO Cc1nc(N[C@@H]2CC[C@H](CNC(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)ccc1C#N ZINC001091640273 1000929325 /nfs/dbraw/zinc/92/93/25/1000929325.db2.gz HERGYFSWSYXLPC-UKPHBRMFSA-N 1 2 366.469 2.560 20 30 FFEDLO C[C@H](CC(=O)NC[C@H]1CC[C@@H](Nc2ncc(C#N)cc2F)C1)n1cc[nH+]c1 ZINC001091643906 1000938403 /nfs/dbraw/zinc/93/84/03/1000938403.db2.gz XDQWMTWAKBFTIT-IJEWVQPXSA-N 1 2 370.432 2.637 20 30 FFEDLO C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1CCCNc1ncccc1C#N ZINC001091704610 1001107183 /nfs/dbraw/zinc/10/71/83/1001107183.db2.gz KPEKSNNAJXHRNQ-SJLPKXTDSA-N 1 2 366.469 2.669 20 30 FFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](CNc2cccc(F)c2C#N)[C@H](C)C1 ZINC001054667199 1016466361 /nfs/dbraw/zinc/46/63/61/1016466361.db2.gz UTLSMOQHBHSSGC-RRFJBIMHSA-N 1 2 369.444 2.806 20 30 FFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](CNc2cccc(F)c2C#N)[C@H](C)C1 ZINC001054667199 1016466371 /nfs/dbraw/zinc/46/63/71/1016466371.db2.gz UTLSMOQHBHSSGC-RRFJBIMHSA-N 1 2 369.444 2.806 20 30 FFEDLO COc1cc(C(=O)[O-])ccc1N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771557384 1001148832 /nfs/dbraw/zinc/14/88/32/1001148832.db2.gz DREMQLRGDZHTII-UHFFFAOYSA-N 1 2 368.437 2.591 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CCCCC)C(C)C)C2 ZINC001109944588 1001186740 /nfs/dbraw/zinc/18/67/40/1001186740.db2.gz MNGIYBWEBRKTQF-YRXWBPOGSA-N 1 2 363.546 2.863 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CCCCC)C(C)C)C2 ZINC001109944588 1001186743 /nfs/dbraw/zinc/18/67/43/1001186743.db2.gz MNGIYBWEBRKTQF-YRXWBPOGSA-N 1 2 363.546 2.863 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cccnc2)C3)ccc1F ZINC001096723030 1016475321 /nfs/dbraw/zinc/47/53/21/1016475321.db2.gz BRGQLUDFVLFYKT-QRQLOZEOSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cccnc2)C3)ccc1F ZINC001096723030 1016475335 /nfs/dbraw/zinc/47/53/35/1016475335.db2.gz BRGQLUDFVLFYKT-QRQLOZEOSA-N 1 2 350.397 2.628 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cncc(F)c2)CCOCC1 ZINC001110046841 1001376030 /nfs/dbraw/zinc/37/60/30/1001376030.db2.gz AERHNUXVPXQIAA-QYZOEREBSA-N 1 2 373.472 2.815 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cncc(F)c2)CCOCC1 ZINC001110046841 1001376036 /nfs/dbraw/zinc/37/60/36/1001376036.db2.gz AERHNUXVPXQIAA-QYZOEREBSA-N 1 2 373.472 2.815 20 30 FFEDLO Cc1ccc(N2CC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCC3)[C@H](C)C2)cc1C ZINC000787255278 1001677359 /nfs/dbraw/zinc/67/73/59/1001677359.db2.gz RHMLXNLESKULBI-QZTJIDSGSA-N 1 2 354.498 2.765 20 30 FFEDLO Cc1ccc(N2CC[N@H+]([C@H](C)C(=O)NC3(C#N)CCC3)[C@H](C)C2)cc1C ZINC000787255278 1001677360 /nfs/dbraw/zinc/67/73/60/1001677360.db2.gz RHMLXNLESKULBI-QZTJIDSGSA-N 1 2 354.498 2.765 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)[C@H](C#N)c1nc(C)cs1)CC2 ZINC000746720654 1001736240 /nfs/dbraw/zinc/73/62/40/1001736240.db2.gz HWXOVAUZZLWTSN-HNNXBMFYSA-N 1 2 371.462 2.703 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)[C@H](C#N)c1nc(C)cs1)CC2 ZINC000746720654 1001736244 /nfs/dbraw/zinc/73/62/44/1001736244.db2.gz HWXOVAUZZLWTSN-HNNXBMFYSA-N 1 2 371.462 2.703 20 30 FFEDLO CC(C)[C@H](C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)[NH+](C)C ZINC000787964850 1001736874 /nfs/dbraw/zinc/73/68/74/1001736874.db2.gz ZDJYGQOPTABHLW-LJQANCHMSA-N 1 2 355.438 2.867 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCCC)C3)c1 ZINC001110289713 1001841495 /nfs/dbraw/zinc/84/14/95/1001841495.db2.gz XAPWVVZSJIZPOV-AQNXPRMDSA-N 1 2 367.493 2.908 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCCC)C3)c1 ZINC001110289713 1001841510 /nfs/dbraw/zinc/84/15/10/1001841510.db2.gz XAPWVVZSJIZPOV-AQNXPRMDSA-N 1 2 367.493 2.908 20 30 FFEDLO CC(C)OCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110309881 1001913077 /nfs/dbraw/zinc/91/30/77/1001913077.db2.gz TTYBMWJVIYDAGV-QRQLOZEOSA-N 1 2 359.445 2.734 20 30 FFEDLO CC(C)OCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110309881 1001913087 /nfs/dbraw/zinc/91/30/87/1001913087.db2.gz TTYBMWJVIYDAGV-QRQLOZEOSA-N 1 2 359.445 2.734 20 30 FFEDLO CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001110318350 1001962062 /nfs/dbraw/zinc/96/20/62/1001962062.db2.gz MWEZWQLTTWDFGZ-PIKADFDJSA-N 1 2 360.885 2.838 20 30 FFEDLO CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001110318350 1001962065 /nfs/dbraw/zinc/96/20/65/1001962065.db2.gz MWEZWQLTTWDFGZ-PIKADFDJSA-N 1 2 360.885 2.838 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001091910245 1002061705 /nfs/dbraw/zinc/06/17/05/1002061705.db2.gz OHKLLZVTLNRKRX-MDOVXXIYSA-N 1 2 359.518 2.811 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001091910245 1002061712 /nfs/dbraw/zinc/06/17/12/1002061712.db2.gz OHKLLZVTLNRKRX-MDOVXXIYSA-N 1 2 359.518 2.811 20 30 FFEDLO CC(C)[N@@H+]1CC[C@H]1C(=O)Nc1[nH]c(=S)[nH]c(=O)c1N=Cc1ccccc1 ZINC001182829152 1002066781 /nfs/dbraw/zinc/06/67/81/1002066781.db2.gz UMXFKRIFGWRFMC-UZPSYVQNSA-N 1 2 371.466 2.643 20 30 FFEDLO CC(C)[N@H+]1CC[C@H]1C(=O)Nc1[nH]c(=S)[nH]c(=O)c1N=Cc1ccccc1 ZINC001182829152 1002066795 /nfs/dbraw/zinc/06/67/95/1002066795.db2.gz UMXFKRIFGWRFMC-UZPSYVQNSA-N 1 2 371.466 2.643 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)no1 ZINC001096768234 1016570445 /nfs/dbraw/zinc/57/04/45/1016570445.db2.gz BMULVEDWYRCQSX-KYJSFNMBSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)no1 ZINC001096768234 1016570458 /nfs/dbraw/zinc/57/04/58/1016570458.db2.gz BMULVEDWYRCQSX-KYJSFNMBSA-N 1 2 354.385 2.529 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C(C)C)[nH]4)C[C@@]3(C)C2)C1 ZINC001091995221 1002199608 /nfs/dbraw/zinc/19/96/08/1002199608.db2.gz BOFYELBHVYMRHX-QRWLVFNGSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C(C)C)[nH]4)C[C@@]3(C)C2)C1 ZINC001091995221 1002199614 /nfs/dbraw/zinc/19/96/14/1002199614.db2.gz BOFYELBHVYMRHX-QRWLVFNGSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C(C)C)o4)C[C@@]3(C)C2)C1 ZINC001091995846 1002201888 /nfs/dbraw/zinc/20/18/88/1002201888.db2.gz KZXLIZUHCLHRSW-QRWLVFNGSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C(C)C)o4)C[C@@]3(C)C2)C1 ZINC001091995846 1002201895 /nfs/dbraw/zinc/20/18/95/1002201895.db2.gz KZXLIZUHCLHRSW-QRWLVFNGSA-N 1 2 358.486 2.830 20 30 FFEDLO Cn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001096814562 1016587698 /nfs/dbraw/zinc/58/76/98/1016587698.db2.gz DVJWCYRSBONNJV-NXHRZFHOSA-N 1 2 352.413 2.571 20 30 FFEDLO Cn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001096814562 1016587711 /nfs/dbraw/zinc/58/77/11/1016587711.db2.gz DVJWCYRSBONNJV-NXHRZFHOSA-N 1 2 352.413 2.571 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001091977919 1002237832 /nfs/dbraw/zinc/23/78/32/1002237832.db2.gz AGXLQIDCHCTIAP-UXPWSPDFSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001091977919 1002237841 /nfs/dbraw/zinc/23/78/41/1002237841.db2.gz AGXLQIDCHCTIAP-UXPWSPDFSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[nH]c1-c1ccccn1)C2 ZINC001095512085 1016590414 /nfs/dbraw/zinc/59/04/14/1016590414.db2.gz GYBBXELLMKIARB-JLSDUUJJSA-N 1 2 351.454 2.773 20 30 FFEDLO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[nH]c1-c1ccccn1)C2 ZINC001095512085 1016590425 /nfs/dbraw/zinc/59/04/25/1016590425.db2.gz GYBBXELLMKIARB-JLSDUUJJSA-N 1 2 351.454 2.773 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@](O)(CF)CC1 ZINC001183828574 1002399944 /nfs/dbraw/zinc/39/99/44/1002399944.db2.gz JYQUOVPBBXHPPW-FPOVZHCZSA-N 1 2 373.472 2.626 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@](O)(CF)CC1 ZINC001183828574 1002399951 /nfs/dbraw/zinc/39/99/51/1002399951.db2.gz JYQUOVPBBXHPPW-FPOVZHCZSA-N 1 2 373.472 2.626 20 30 FFEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC001183850052 1002411139 /nfs/dbraw/zinc/41/11/39/1002411139.db2.gz QZFDPIHJANJTGD-HOTGVXAUSA-N 1 2 371.497 2.786 20 30 FFEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC001183850052 1002411148 /nfs/dbraw/zinc/41/11/48/1002411148.db2.gz QZFDPIHJANJTGD-HOTGVXAUSA-N 1 2 371.497 2.786 20 30 FFEDLO CC(C)OCC[NH+]1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000790700926 1002464931 /nfs/dbraw/zinc/46/49/31/1002464931.db2.gz HFZZLXLQKYHQLM-UHFFFAOYSA-N 1 2 368.399 2.626 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnn3c2CCC3)C1 ZINC001086591602 1002518454 /nfs/dbraw/zinc/51/84/54/1002518454.db2.gz UZRMYYMXNXGHRM-ZWKOTPCHSA-N 1 2 370.884 2.780 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnn3c2CCC3)C1 ZINC001086591602 1002518465 /nfs/dbraw/zinc/51/84/65/1002518465.db2.gz UZRMYYMXNXGHRM-ZWKOTPCHSA-N 1 2 370.884 2.780 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)[nH]n1 ZINC001096822382 1016652550 /nfs/dbraw/zinc/65/25/50/1016652550.db2.gz KHAQPCGPLTVNHE-SUMDDJOVSA-N 1 2 367.428 2.518 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)[nH]n1 ZINC001096822382 1016652558 /nfs/dbraw/zinc/65/25/58/1016652558.db2.gz KHAQPCGPLTVNHE-SUMDDJOVSA-N 1 2 367.428 2.518 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2nc(C)ncc2C)C1 ZINC001092314465 1002664649 /nfs/dbraw/zinc/66/46/49/1002664649.db2.gz JKSWDGJXJRPKHP-IAGOWNOFSA-N 1 2 368.485 2.590 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110352149 1002690453 /nfs/dbraw/zinc/69/04/53/1002690453.db2.gz VHOSZANTKSLZNH-GVXRKXQCSA-N 1 2 373.472 2.980 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110352149 1002690460 /nfs/dbraw/zinc/69/04/60/1002690460.db2.gz VHOSZANTKSLZNH-GVXRKXQCSA-N 1 2 373.472 2.980 20 30 FFEDLO Cc1cc(N2C[C@@H]3CN(C(=O)C#CC(C)C)C[C@]3(C)C2)nc(C2CC2)[nH+]1 ZINC001092289087 1002697074 /nfs/dbraw/zinc/69/70/74/1002697074.db2.gz RXLMYSKNWMCJOE-UTKZUKDTSA-N 1 2 352.482 2.607 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@H](C2CC2)O1 ZINC000791553963 1002738018 /nfs/dbraw/zinc/73/80/18/1002738018.db2.gz QIGLDYKOHIZQHY-ACWOFJMJSA-N 1 2 362.433 2.723 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@H](C2CC2)O1 ZINC000791553963 1002738022 /nfs/dbraw/zinc/73/80/22/1002738022.db2.gz QIGLDYKOHIZQHY-ACWOFJMJSA-N 1 2 362.433 2.723 20 30 FFEDLO C[C@@H](CC(=O)NC[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1C)n1cc[nH+]c1 ZINC001092450448 1002978671 /nfs/dbraw/zinc/97/86/71/1002978671.db2.gz HEXZTTLCRQIFAZ-OWCLPIDISA-N 1 2 369.444 2.734 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=COCCC2)C3)c(F)c1 ZINC001096865062 1016704018 /nfs/dbraw/zinc/70/40/18/1016704018.db2.gz UPZQZNRPSZDJGP-QRQLOZEOSA-N 1 2 355.413 2.613 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=COCCC2)C3)c(F)c1 ZINC001096865062 1016704029 /nfs/dbraw/zinc/70/40/29/1016704029.db2.gz UPZQZNRPSZDJGP-QRQLOZEOSA-N 1 2 355.413 2.613 20 30 FFEDLO C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000792449947 1003007494 /nfs/dbraw/zinc/00/74/94/1003007494.db2.gz MGYZALCCRINIEW-INIZCTEOSA-N 1 2 364.449 2.743 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110366009 1003010057 /nfs/dbraw/zinc/01/00/57/1003010057.db2.gz GTWAPUIIQODLMB-GVXRKXQCSA-N 1 2 371.456 2.900 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110366009 1003010067 /nfs/dbraw/zinc/01/00/67/1003010067.db2.gz GTWAPUIIQODLMB-GVXRKXQCSA-N 1 2 371.456 2.900 20 30 FFEDLO CCc1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001096902077 1016711685 /nfs/dbraw/zinc/71/16/85/1016711685.db2.gz LROFUDXGJRVBTO-DFBGVHRSSA-N 1 2 356.451 2.705 20 30 FFEDLO CCc1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001096902077 1016711695 /nfs/dbraw/zinc/71/16/95/1016711695.db2.gz LROFUDXGJRVBTO-DFBGVHRSSA-N 1 2 356.451 2.705 20 30 FFEDLO C=C(C)[C@H](CC(=O)NCC[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C)OCC ZINC001092550356 1003100889 /nfs/dbraw/zinc/10/08/89/1003100889.db2.gz VYABCHPOTSVAMV-NXHRZFHOSA-N 1 2 360.502 2.735 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)cc2F)c1 ZINC001096929565 1016751294 /nfs/dbraw/zinc/75/12/94/1016751294.db2.gz ZZGQNXJWQKCVFK-KYJSFNMBSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)cc2F)c1 ZINC001096929565 1016751305 /nfs/dbraw/zinc/75/13/05/1016751305.db2.gz ZZGQNXJWQKCVFK-KYJSFNMBSA-N 1 2 356.376 2.700 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@@H](CNc3[nH+]cnc4c3cnn4C)[C@H](C)C2)CC1 ZINC001092674370 1003398265 /nfs/dbraw/zinc/39/82/65/1003398265.db2.gz CWJALSXGNUNKOG-HUUCEWRRSA-N 1 2 368.485 2.616 20 30 FFEDLO CC(C)[C@@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1ncccc1C#N ZINC001114121001 1003400416 /nfs/dbraw/zinc/40/04/16/1003400416.db2.gz CPLSSSYUCRNEQS-BRWVUGGUSA-N 1 2 366.469 2.765 20 30 FFEDLO CC(C)[C@@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1ncccc1C#N ZINC001114121001 1003400426 /nfs/dbraw/zinc/40/04/26/1003400426.db2.gz CPLSSSYUCRNEQS-BRWVUGGUSA-N 1 2 366.469 2.765 20 30 FFEDLO C[C@]1(C2CCCC2)CC(=O)N(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793589067 1003431810 /nfs/dbraw/zinc/43/18/10/1003431810.db2.gz GHIPCFJEEYIPEE-NQIIRXRSSA-N 1 2 368.481 2.793 20 30 FFEDLO C[C@]1(C2CCCC2)CC(=O)N(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793589067 1003431818 /nfs/dbraw/zinc/43/18/18/1003431818.db2.gz GHIPCFJEEYIPEE-NQIIRXRSSA-N 1 2 368.481 2.793 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F)n1cccc1 ZINC001096960004 1016773067 /nfs/dbraw/zinc/77/30/67/1016773067.db2.gz YKGSVVHHXFVEFL-GVXRKXQCSA-N 1 2 366.440 2.982 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F)n1cccc1 ZINC001096960004 1016773073 /nfs/dbraw/zinc/77/30/73/1016773073.db2.gz YKGSVVHHXFVEFL-GVXRKXQCSA-N 1 2 366.440 2.982 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CC2)CCCCC1 ZINC001110135392 1003524488 /nfs/dbraw/zinc/52/44/88/1003524488.db2.gz AEPYMHUECVLCDM-QYZOEREBSA-N 1 2 373.541 2.761 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CC2)CCCCC1 ZINC001110135392 1003524493 /nfs/dbraw/zinc/52/44/93/1003524493.db2.gz AEPYMHUECVLCDM-QYZOEREBSA-N 1 2 373.541 2.761 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cncc(F)c2)C3)cc1F ZINC001096946331 1016809339 /nfs/dbraw/zinc/80/93/39/1016809339.db2.gz PYRQIQDFVPSDLL-QRQLOZEOSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cncc(F)c2)C3)cc1F ZINC001096946331 1016809354 /nfs/dbraw/zinc/80/93/54/1016809354.db2.gz PYRQIQDFVPSDLL-QRQLOZEOSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[C@@H]2CCOC2)C3)c1 ZINC001110438238 1003874507 /nfs/dbraw/zinc/87/45/07/1003874507.db2.gz AYQHXBPYAMZTNV-JRJVTICQSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[C@@H]2CCOC2)C3)c1 ZINC001110438238 1003874525 /nfs/dbraw/zinc/87/45/25/1003874525.db2.gz AYQHXBPYAMZTNV-JRJVTICQSA-N 1 2 371.456 2.736 20 30 FFEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001191676130 1003909386 /nfs/dbraw/zinc/90/93/86/1003909386.db2.gz GVIXIVBOUYENPD-ATZDWAIDSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001191676130 1003909391 /nfs/dbraw/zinc/90/93/91/1003909391.db2.gz GVIXIVBOUYENPD-ATZDWAIDSA-N 1 2 362.901 2.679 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(C(F)(F)F)c1 ZINC001192121492 1004059580 /nfs/dbraw/zinc/05/95/80/1004059580.db2.gz DYBYMZYNPXTWQZ-CYBMUJFWSA-N 1 2 360.339 2.981 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)c(OC)c(F)c1 ZINC001110494045 1004332647 /nfs/dbraw/zinc/33/26/47/1004332647.db2.gz GPMPLAMZBYZAEH-OLMNPRSZSA-N 1 2 362.420 2.998 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)c(OC)c(F)c1 ZINC001110494045 1004332656 /nfs/dbraw/zinc/33/26/56/1004332656.db2.gz GPMPLAMZBYZAEH-OLMNPRSZSA-N 1 2 362.420 2.998 20 30 FFEDLO CC[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O)C(C)(C)C ZINC001197743146 1004348944 /nfs/dbraw/zinc/34/89/44/1004348944.db2.gz LLLQGUKCHXCHFJ-IAOVAPTHSA-N 1 2 363.527 2.743 20 30 FFEDLO CC[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O)C(C)(C)C ZINC001197743146 1004348949 /nfs/dbraw/zinc/34/89/49/1004348949.db2.gz LLLQGUKCHXCHFJ-IAOVAPTHSA-N 1 2 363.527 2.743 20 30 FFEDLO CCC[C@H](C)CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001193286997 1004438966 /nfs/dbraw/zinc/43/89/66/1004438966.db2.gz QYVKMPWQPWVSKC-CEWLAPEOSA-N 1 2 356.510 2.806 20 30 FFEDLO CCC[C@H](C)CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001193286997 1004438974 /nfs/dbraw/zinc/43/89/74/1004438974.db2.gz QYVKMPWQPWVSKC-CEWLAPEOSA-N 1 2 356.510 2.806 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cc(F)ccc2F)C[C@H]1O ZINC001193303974 1004445082 /nfs/dbraw/zinc/44/50/82/1004445082.db2.gz GZFARBADJGGTHX-JCURWCKSSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cc(F)ccc2F)C[C@H]1O ZINC001193303974 1004445086 /nfs/dbraw/zinc/44/50/86/1004445086.db2.gz GZFARBADJGGTHX-JCURWCKSSA-N 1 2 352.425 2.789 20 30 FFEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(Cl)cc1F ZINC000807328640 1004563324 /nfs/dbraw/zinc/56/33/24/1004563324.db2.gz LIAGWAXNDRBKNY-OAHLLOKOSA-N 1 2 370.771 2.556 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001194077535 1004647256 /nfs/dbraw/zinc/64/72/56/1004647256.db2.gz PPTPOGKJWIYKGD-SFHVURJKSA-N 1 2 366.446 2.783 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)c2ncc(C)o2)C1 ZINC001131059815 1004689543 /nfs/dbraw/zinc/68/95/43/1004689543.db2.gz JXNYFHAPTHRIHR-GVDBMIGSSA-N 1 2 371.485 2.718 20 30 FFEDLO CCCCCC[C@@H](C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131108513 1004729346 /nfs/dbraw/zinc/72/93/46/1004729346.db2.gz UTDQTJTXWWOVEN-KZNAEPCWSA-N 1 2 359.518 2.824 20 30 FFEDLO CON=Cc1ccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cc1 ZINC000808086544 1004750293 /nfs/dbraw/zinc/75/02/93/1004750293.db2.gz BXZLPCQZBRCFCV-UHFFFAOYSA-N 1 2 372.494 2.901 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1O)c1ccccc1 ZINC001198896267 1004763371 /nfs/dbraw/zinc/76/33/71/1004763371.db2.gz AIFBVVIUBVQURG-HMXCVIKNSA-N 1 2 368.452 2.847 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1O)c1ccccc1 ZINC001198896267 1004763379 /nfs/dbraw/zinc/76/33/79/1004763379.db2.gz AIFBVVIUBVQURG-HMXCVIKNSA-N 1 2 368.452 2.847 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1O)c1ccccc1 ZINC001198955389 1004792456 /nfs/dbraw/zinc/79/24/56/1004792456.db2.gz BYXVDDSPMOENGZ-VAMGGRTRSA-N 1 2 370.880 2.971 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1O)c1ccccc1 ZINC001198955389 1004792462 /nfs/dbraw/zinc/79/24/62/1004792462.db2.gz BYXVDDSPMOENGZ-VAMGGRTRSA-N 1 2 370.880 2.971 20 30 FFEDLO C=CCCc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC001194716326 1004801960 /nfs/dbraw/zinc/80/19/60/1004801960.db2.gz AAQMHJLAFXOXPQ-ZWKOTPCHSA-N 1 2 366.552 2.663 20 30 FFEDLO C=CCCc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC001194716326 1004801966 /nfs/dbraw/zinc/80/19/66/1004801966.db2.gz AAQMHJLAFXOXPQ-ZWKOTPCHSA-N 1 2 366.552 2.663 20 30 FFEDLO CC(C)CC(CC(C)C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001199201408 1004865888 /nfs/dbraw/zinc/86/58/88/1004865888.db2.gz LRLDKDPPIQKIAB-FGZHOGPDSA-N 1 2 370.537 2.908 20 30 FFEDLO CC(C)CC(CC(C)C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001199201408 1004865892 /nfs/dbraw/zinc/86/58/92/1004865892.db2.gz LRLDKDPPIQKIAB-FGZHOGPDSA-N 1 2 370.537 2.908 20 30 FFEDLO CCOC1CC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)C1 ZINC001097026883 1016918323 /nfs/dbraw/zinc/91/83/23/1016918323.db2.gz STLBVCNMYUUUMO-SFBFCYGASA-N 1 2 371.456 2.734 20 30 FFEDLO CCOC1CC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)C1 ZINC001097026883 1016918335 /nfs/dbraw/zinc/91/83/35/1016918335.db2.gz STLBVCNMYUUUMO-SFBFCYGASA-N 1 2 371.456 2.734 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3nc4ccccc4o3)C[C@H]2O)CC1 ZINC001195905906 1005070959 /nfs/dbraw/zinc/07/09/59/1005070959.db2.gz FOCUOJXZBFYQIE-DJIMGWMZSA-N 1 2 369.465 2.797 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3nc4ccccc4o3)C[C@H]2O)CC1 ZINC001195905906 1005070964 /nfs/dbraw/zinc/07/09/64/1005070964.db2.gz FOCUOJXZBFYQIE-DJIMGWMZSA-N 1 2 369.465 2.797 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F)C(C)C ZINC001110547378 1005081084 /nfs/dbraw/zinc/08/10/84/1005081084.db2.gz JMSKDDXAZWNTRG-RSPOEFSDSA-N 1 2 373.472 2.980 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F)C(C)C ZINC001110547378 1005081090 /nfs/dbraw/zinc/08/10/90/1005081090.db2.gz JMSKDDXAZWNTRG-RSPOEFSDSA-N 1 2 373.472 2.980 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1Cl ZINC001110547407 1005081204 /nfs/dbraw/zinc/08/12/04/1005081204.db2.gz KDWKBOLWEDUJOS-JFOHDYCDSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1Cl ZINC001110547407 1005081208 /nfs/dbraw/zinc/08/12/08/1005081208.db2.gz KDWKBOLWEDUJOS-JFOHDYCDSA-N 1 2 364.848 2.739 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc([C@H](C)[NH2+]Cc2cnon2)cc1 ZINC001050272094 1016953504 /nfs/dbraw/zinc/95/35/04/1016953504.db2.gz NEUAEPFZEUNUKV-JVPBZIDWSA-N 1 2 370.453 2.518 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C1CC1 ZINC001110569272 1005256864 /nfs/dbraw/zinc/25/68/64/1005256864.db2.gz IBTAQXUJNZACCN-ZRNYENFQSA-N 1 2 353.466 2.595 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C1CC1 ZINC001110569272 1005256869 /nfs/dbraw/zinc/25/68/69/1005256869.db2.gz IBTAQXUJNZACCN-ZRNYENFQSA-N 1 2 353.466 2.595 20 30 FFEDLO CCCCCCCCCCS(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC001201836164 1005277190 /nfs/dbraw/zinc/27/71/90/1005277190.db2.gz SCJMTEICJWTBQW-UHFFFAOYSA-N 1 2 362.580 2.845 20 30 FFEDLO CCCc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001095668675 1016956109 /nfs/dbraw/zinc/95/61/09/1016956109.db2.gz TWEVIQBHRGUIGL-UUWFMWQGSA-N 1 2 369.494 2.831 20 30 FFEDLO CCCc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001095668675 1016956118 /nfs/dbraw/zinc/95/61/18/1016956118.db2.gz TWEVIQBHRGUIGL-UUWFMWQGSA-N 1 2 369.494 2.831 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)COc2cccnc2)C1 ZINC001488888570 1005371007 /nfs/dbraw/zinc/37/10/07/1005371007.db2.gz IYTBPHLHPSNBKJ-RBUKOAKNSA-N 1 2 371.868 2.797 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)COc2cccnc2)C1 ZINC001488888570 1005371008 /nfs/dbraw/zinc/37/10/08/1005371008.db2.gz IYTBPHLHPSNBKJ-RBUKOAKNSA-N 1 2 371.868 2.797 20 30 FFEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2cccs2)[C@@H]1C ZINC001489287980 1005449523 /nfs/dbraw/zinc/44/95/23/1005449523.db2.gz YFYSKXIXMJZXKB-XHSDSOJGSA-N 1 2 363.527 2.861 20 30 FFEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@@H](C)c2cccs2)[C@@H]1C ZINC001489287980 1005449524 /nfs/dbraw/zinc/44/95/24/1005449524.db2.gz YFYSKXIXMJZXKB-XHSDSOJGSA-N 1 2 363.527 2.861 20 30 FFEDLO C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1C)n1cccn1 ZINC001489300465 1005452917 /nfs/dbraw/zinc/45/29/17/1005452917.db2.gz LPXGMONRIANWOL-CLCXKQKWSA-N 1 2 369.444 2.624 20 30 FFEDLO C[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1C)n1cccn1 ZINC001489300465 1005452919 /nfs/dbraw/zinc/45/29/19/1005452919.db2.gz LPXGMONRIANWOL-CLCXKQKWSA-N 1 2 369.444 2.624 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001489905852 1005583580 /nfs/dbraw/zinc/58/35/80/1005583580.db2.gz JOOZYTDKIXJWNT-XHSDSOJGSA-N 1 2 370.497 2.587 20 30 FFEDLO C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001490313991 1005693026 /nfs/dbraw/zinc/69/30/26/1005693026.db2.gz OMSDUFMCLAXTNV-GDBMZVCRSA-N 1 2 354.454 2.744 20 30 FFEDLO C=CCC(C)(C)C(=O)NCC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001490419270 1005717978 /nfs/dbraw/zinc/71/79/78/1005717978.db2.gz JHGSIXIEKJSLHL-QBPKDAKJSA-N 1 2 372.513 2.716 20 30 FFEDLO C=CCC(C)(C)C(=O)NCC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001490419270 1005717980 /nfs/dbraw/zinc/71/79/80/1005717980.db2.gz JHGSIXIEKJSLHL-QBPKDAKJSA-N 1 2 372.513 2.716 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1CC(C)C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110629645 1005871706 /nfs/dbraw/zinc/87/17/06/1005871706.db2.gz LABJJWLYCAIFCP-IEBWSBKVSA-N 1 2 354.498 2.898 20 30 FFEDLO COc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)c2ccc(F)cc2)c(OC)c1 ZINC000852298173 1005966210 /nfs/dbraw/zinc/96/62/10/1005966210.db2.gz VRWYAGLHVPPOGU-NSHDSACASA-N 1 2 361.373 2.507 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c2ccccc21 ZINC000852300792 1005967327 /nfs/dbraw/zinc/96/73/27/1005967327.db2.gz WTJXJKLUVFBSKF-UHFFFAOYSA-N 1 2 362.433 2.607 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@H+]2CCC3=C(CCC(=O)N3)C2)c2ccccc21 ZINC000852300792 1005967331 /nfs/dbraw/zinc/96/73/31/1005967331.db2.gz WTJXJKLUVFBSKF-UHFFFAOYSA-N 1 2 362.433 2.607 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3OCC)C[C@H]21 ZINC001187210745 1005979677 /nfs/dbraw/zinc/97/96/77/1005979677.db2.gz YDXDEKWEAKVDHS-FUHWJXTLSA-N 1 2 371.481 2.523 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccccc3OCC)C[C@H]21 ZINC001187210745 1005979687 /nfs/dbraw/zinc/97/96/87/1005979687.db2.gz YDXDEKWEAKVDHS-FUHWJXTLSA-N 1 2 371.481 2.523 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000852521065 1006063204 /nfs/dbraw/zinc/06/32/04/1006063204.db2.gz SELZETUKGJLEBI-PWRODBHTSA-N 1 2 364.445 2.870 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000852521065 1006063218 /nfs/dbraw/zinc/06/32/18/1006063218.db2.gz SELZETUKGJLEBI-PWRODBHTSA-N 1 2 364.445 2.870 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nnc(-c4cccs4)o3)C[C@H]21 ZINC001187714395 1006210037 /nfs/dbraw/zinc/21/00/37/1006210037.db2.gz PRGZOGDESLYMDA-LSDHHAIUSA-N 1 2 370.478 2.634 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(-c4cccs4)o3)C[C@H]21 ZINC001187714395 1006210048 /nfs/dbraw/zinc/21/00/48/1006210048.db2.gz PRGZOGDESLYMDA-LSDHHAIUSA-N 1 2 370.478 2.634 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCCCNC(=O)c1cccc(O)c1 ZINC000853254449 1006352714 /nfs/dbraw/zinc/35/27/14/1006352714.db2.gz YYOCPBPBWDFLCS-UHFFFAOYSA-N 1 2 353.422 2.811 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4ccco4)no3)C[C@H]21 ZINC001188080322 1006401322 /nfs/dbraw/zinc/40/13/22/1006401322.db2.gz BRBLOVDFRRHGDS-LSDHHAIUSA-N 1 2 356.426 2.719 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4ccco4)no3)C[C@H]21 ZINC001188080322 1006401331 /nfs/dbraw/zinc/40/13/31/1006401331.db2.gz BRBLOVDFRRHGDS-LSDHHAIUSA-N 1 2 356.426 2.719 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1coc(-c2cccc(F)c2)n1 ZINC001110401962 1006715399 /nfs/dbraw/zinc/71/53/99/1006715399.db2.gz SWGAASKUSZUBIP-BTPDRXCOSA-N 1 2 368.412 2.862 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1coc(-c2cccc(F)c2)n1 ZINC001110401962 1006715412 /nfs/dbraw/zinc/71/54/12/1006715412.db2.gz SWGAASKUSZUBIP-BTPDRXCOSA-N 1 2 368.412 2.862 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(-c2ccccc2)o1 ZINC001110401938 1006715853 /nfs/dbraw/zinc/71/58/53/1006715853.db2.gz SCLIPYGRFJQVKU-DZUCGIPZSA-N 1 2 350.422 2.723 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(-c2ccccc2)o1 ZINC001110401938 1006715859 /nfs/dbraw/zinc/71/58/59/1006715859.db2.gz SCLIPYGRFJQVKU-DZUCGIPZSA-N 1 2 350.422 2.723 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc([C@]3(C#N)CCCOC3)n2)O1 ZINC000867045240 1006763101 /nfs/dbraw/zinc/76/31/01/1006763101.db2.gz BKNAJXQWBGYMCS-MDYRTPRTSA-N 1 2 368.437 2.603 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc([C@]3(C#N)CCCOC3)n2)O1 ZINC000867045240 1006763117 /nfs/dbraw/zinc/76/31/17/1006763117.db2.gz BKNAJXQWBGYMCS-MDYRTPRTSA-N 1 2 368.437 2.603 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc3ccccc3o2)[nH]1 ZINC001095327641 1007118564 /nfs/dbraw/zinc/11/85/64/1007118564.db2.gz XYCZEGHLJFOTLC-COXVUDFISA-N 1 2 361.405 2.563 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc3ccccc3o2)[nH]1 ZINC001095327641 1007118570 /nfs/dbraw/zinc/11/85/70/1007118570.db2.gz XYCZEGHLJFOTLC-COXVUDFISA-N 1 2 361.405 2.563 20 30 FFEDLO C=CCOc1ccc(/C=C/C(=O)OCC[N@@H+]2CCO[C@@H](C)C2)cc1OC ZINC000800080057 1007163345 /nfs/dbraw/zinc/16/33/45/1007163345.db2.gz PCNWRRICTICICE-BVBGJJFLSA-N 1 2 361.438 2.537 20 30 FFEDLO C=CCOc1ccc(/C=C/C(=O)OCC[N@H+]2CCO[C@@H](C)C2)cc1OC ZINC000800080057 1007163349 /nfs/dbraw/zinc/16/33/49/1007163349.db2.gz PCNWRRICTICICE-BVBGJJFLSA-N 1 2 361.438 2.537 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110424650 1007524793 /nfs/dbraw/zinc/52/47/93/1007524793.db2.gz UTMSVWDBZDBIEM-RLLQIKCJSA-N 1 2 371.456 2.902 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110424650 1007524798 /nfs/dbraw/zinc/52/47/98/1007524798.db2.gz UTMSVWDBZDBIEM-RLLQIKCJSA-N 1 2 371.456 2.902 20 30 FFEDLO C=C[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3nccn3C)C[C@H]21)c1ccccc1 ZINC001190281830 1007569039 /nfs/dbraw/zinc/56/90/39/1007569039.db2.gz LDDVLEJSKQGNLR-YSIASYRMSA-N 1 2 364.493 2.813 20 30 FFEDLO C=C[C@@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3nccn3C)C[C@H]21)c1ccccc1 ZINC001190281830 1007569050 /nfs/dbraw/zinc/56/90/50/1007569050.db2.gz LDDVLEJSKQGNLR-YSIASYRMSA-N 1 2 364.493 2.813 20 30 FFEDLO O=C(C=NOCc1cccc(C[NH+]2CCOCC2)c1)Nc1ccccc1 ZINC000817376740 1007569131 /nfs/dbraw/zinc/56/91/31/1007569131.db2.gz DYSGBURLPQPFRS-UHFFFAOYSA-N 1 2 353.422 2.660 20 30 FFEDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2C[C@@H](O)CC2(C#N)CCC2)o1 ZINC000885960947 1007853933 /nfs/dbraw/zinc/85/39/33/1007853933.db2.gz QXRQMLRGUPHQLH-ROUUACIJSA-N 1 2 352.438 2.922 20 30 FFEDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2C[C@@H](O)CC2(C#N)CCC2)o1 ZINC000885960947 1007853939 /nfs/dbraw/zinc/85/39/39/1007853939.db2.gz QXRQMLRGUPHQLH-ROUUACIJSA-N 1 2 352.438 2.922 20 30 FFEDLO CC(C)n1cc2c(n1)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)CCC2 ZINC000819218842 1008075522 /nfs/dbraw/zinc/07/55/22/1008075522.db2.gz VGGXJDFKHMGHTB-GOSISDBHSA-N 1 2 372.494 2.777 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000819429580 1008148893 /nfs/dbraw/zinc/14/88/93/1008148893.db2.gz WKWGTQRBOITEOT-QGZVFWFLSA-N 1 2 374.872 2.932 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000819429580 1008148895 /nfs/dbraw/zinc/14/88/95/1008148895.db2.gz WKWGTQRBOITEOT-QGZVFWFLSA-N 1 2 374.872 2.932 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cc2F)C[C@H]1C ZINC001206479768 1032305413 /nfs/dbraw/zinc/30/54/13/1032305413.db2.gz VLWCSUYLNPTHGH-HBUWYVDXSA-N 1 2 352.425 2.883 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)C[C@H]1C ZINC001206479768 1032305424 /nfs/dbraw/zinc/30/54/24/1032305424.db2.gz VLWCSUYLNPTHGH-HBUWYVDXSA-N 1 2 352.425 2.883 20 30 FFEDLO C#CC[C@@H](CCOC)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000859018981 1008465635 /nfs/dbraw/zinc/46/56/35/1008465635.db2.gz HKOOCMKCYCLLQX-KRWDZBQOSA-N 1 2 358.486 2.537 20 30 FFEDLO C#CCCOc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000822218241 1008548479 /nfs/dbraw/zinc/54/84/79/1008548479.db2.gz BKULLVAUDQKXPT-UHFFFAOYSA-N 1 2 373.456 2.918 20 30 FFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)CCC1 ZINC000886205890 1008599856 /nfs/dbraw/zinc/59/98/56/1008599856.db2.gz BVUULXYADYHNPA-ARFHVFGLSA-N 1 2 360.458 2.893 20 30 FFEDLO N#CC1(C[C@H](O)C[N@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)CCC1 ZINC000886205890 1008599873 /nfs/dbraw/zinc/59/98/73/1008599873.db2.gz BVUULXYADYHNPA-ARFHVFGLSA-N 1 2 360.458 2.893 20 30 FFEDLO COC(=O)c1cc(-c2cc(C[NH+]3CCOCC3)ccc2OC)ccc1C#N ZINC001206533262 1032332635 /nfs/dbraw/zinc/33/26/35/1032332635.db2.gz YRMVCLYTUGWKDN-UHFFFAOYSA-N 1 2 366.417 2.853 20 30 FFEDLO CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)cc1C#N ZINC001177621732 1008686498 /nfs/dbraw/zinc/68/64/98/1008686498.db2.gz GINWVXKEAMXBHD-SFHVURJKSA-N 1 2 352.394 2.713 20 30 FFEDLO CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)cc1C#N ZINC001177621732 1008686505 /nfs/dbraw/zinc/68/65/05/1008686505.db2.gz GINWVXKEAMXBHD-SFHVURJKSA-N 1 2 352.394 2.713 20 30 FFEDLO CCOC(=O)[C@@H]1CCCc2sc(NC(=O)[C@@H](C)n3cc[nH+]c3)c(C#N)c21 ZINC001177922288 1008790571 /nfs/dbraw/zinc/79/05/71/1008790571.db2.gz RPVUGFZOROWOHN-VXGBXAGGSA-N 1 2 372.450 2.999 20 30 FFEDLO C[C@H](C(=O)OCC#Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000860931463 1009200377 /nfs/dbraw/zinc/20/03/77/1009200377.db2.gz CCUMOIHKWQXZFS-MRXNPFEDSA-N 1 2 364.401 2.936 20 30 FFEDLO C[C@H](C(=O)OCC#Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000860931463 1009200386 /nfs/dbraw/zinc/20/03/86/1009200386.db2.gz CCUMOIHKWQXZFS-MRXNPFEDSA-N 1 2 364.401 2.936 20 30 FFEDLO Cc1cc(C#N)c(F)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001178994521 1009218623 /nfs/dbraw/zinc/21/86/23/1009218623.db2.gz XUUFMRYPFDPOIH-IBGZPJMESA-N 1 2 353.397 2.845 20 30 FFEDLO Cc1cc(C#N)c(F)cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001178994521 1009218633 /nfs/dbraw/zinc/21/86/33/1009218633.db2.gz XUUFMRYPFDPOIH-IBGZPJMESA-N 1 2 353.397 2.845 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000861397665 1009389166 /nfs/dbraw/zinc/38/91/66/1009389166.db2.gz KQFCLAYVMQJTCA-QGZVFWFLSA-N 1 2 355.482 2.549 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C(C)C)n1 ZINC001092984359 1009511613 /nfs/dbraw/zinc/51/16/13/1009511613.db2.gz VKXYGUFNWXMQTH-VQHPVUNQSA-N 1 2 358.486 2.725 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)C4CCC5(CC5)CC4)C3)C2)cc1C#N ZINC001274199448 1009590365 /nfs/dbraw/zinc/59/03/65/1009590365.db2.gz NYOVLYUYGQHMTB-UHFFFAOYSA-N 1 2 352.482 2.511 20 30 FFEDLO COCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110810255 1009652779 /nfs/dbraw/zinc/65/27/79/1009652779.db2.gz MVIVVAFZPDCCRI-QRVBRYPASA-N 1 2 358.457 2.571 20 30 FFEDLO COCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110810255 1009652784 /nfs/dbraw/zinc/65/27/84/1009652784.db2.gz MVIVVAFZPDCCRI-QRVBRYPASA-N 1 2 358.457 2.571 20 30 FFEDLO C[C@@H]1C[N@H+](CCNC(=O)C2(c3ccc(C#N)cc3)CCCC2)[C@H](C)CO1 ZINC000862171770 1009731317 /nfs/dbraw/zinc/73/13/17/1009731317.db2.gz QOJPENQRPQDTMI-IAGOWNOFSA-N 1 2 355.482 2.595 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNC(=O)C2(c3ccc(C#N)cc3)CCCC2)[C@H](C)CO1 ZINC000862171770 1009731329 /nfs/dbraw/zinc/73/13/29/1009731329.db2.gz QOJPENQRPQDTMI-IAGOWNOFSA-N 1 2 355.482 2.595 20 30 FFEDLO C=CCOCC(=O)N1C[C@@H]2CCC[C@]2(CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001093118437 1009911778 /nfs/dbraw/zinc/91/17/78/1009911778.db2.gz RWFVFOPNMZJEQJ-UWJYYQICSA-N 1 2 370.497 2.906 20 30 FFEDLO CCCC[C@H](CNc1nc(C)ccc1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001114326614 1010108910 /nfs/dbraw/zinc/10/89/10/1010108910.db2.gz AEKXVEMPTITQHF-BRWVUGGUSA-N 1 2 366.469 2.875 20 30 FFEDLO CCCC[C@H](CNc1nc(C)ccc1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001114326614 1010108917 /nfs/dbraw/zinc/10/89/17/1010108917.db2.gz AEKXVEMPTITQHF-BRWVUGGUSA-N 1 2 366.469 2.875 20 30 FFEDLO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4c(F)cncc4F)C3)CC2=O)c1 ZINC001206858835 1032461176 /nfs/dbraw/zinc/46/11/76/1032461176.db2.gz OLEXKNJIZWBUKC-HXUWFJFHSA-N 1 2 368.387 2.860 20 30 FFEDLO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4c(F)cncc4F)C3)CC2=O)c1 ZINC001206858835 1032461181 /nfs/dbraw/zinc/46/11/81/1032461181.db2.gz OLEXKNJIZWBUKC-HXUWFJFHSA-N 1 2 368.387 2.860 20 30 FFEDLO CC1(C)C[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@@]2(CCOC2)O1 ZINC000794697013 1010523420 /nfs/dbraw/zinc/52/34/20/1010523420.db2.gz YCFRIKQCDUAPSB-HXUWFJFHSA-N 1 2 352.438 2.649 20 30 FFEDLO CC1(C)C[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@@]2(CCOC2)O1 ZINC000794697013 1010523432 /nfs/dbraw/zinc/52/34/32/1010523432.db2.gz YCFRIKQCDUAPSB-HXUWFJFHSA-N 1 2 352.438 2.649 20 30 FFEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001093784469 1010558357 /nfs/dbraw/zinc/55/83/57/1010558357.db2.gz HCJJTOHFMKDCGU-DFBGVHRSSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001093784469 1010558366 /nfs/dbraw/zinc/55/83/66/1010558366.db2.gz HCJJTOHFMKDCGU-DFBGVHRSSA-N 1 2 357.351 2.643 20 30 FFEDLO COC1(CC(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)CCC1 ZINC001206914634 1032496307 /nfs/dbraw/zinc/49/63/07/1032496307.db2.gz MAIKUYCZRRRYKD-RDTXWAMCSA-N 1 2 359.445 2.593 20 30 FFEDLO COC1(CC(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)CCC1 ZINC001206914634 1032496311 /nfs/dbraw/zinc/49/63/11/1032496311.db2.gz MAIKUYCZRRRYKD-RDTXWAMCSA-N 1 2 359.445 2.593 20 30 FFEDLO CCc1cc(N2CCC([NH2+][C@H](C)c3cccc(C#N)c3O)CC2)ncn1 ZINC000866279118 1010968723 /nfs/dbraw/zinc/96/87/23/1010968723.db2.gz JIFGTDLAJXMITR-CQSZACIVSA-N 1 2 351.454 2.936 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CNC(=O)c3[nH]ncc3F)CCC[C@@H]12 ZINC001094504727 1011173579 /nfs/dbraw/zinc/17/35/79/1011173579.db2.gz GJCYAWZWXUJOLD-YLJYHZDGSA-N 1 2 367.428 2.595 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@]2(CNC(=O)c3[nH]ncc3F)CCC[C@@H]12 ZINC001094504727 1011173583 /nfs/dbraw/zinc/17/35/83/1011173583.db2.gz GJCYAWZWXUJOLD-YLJYHZDGSA-N 1 2 367.428 2.595 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)C1CCC1 ZINC001110868308 1011280921 /nfs/dbraw/zinc/28/09/21/1011280921.db2.gz BKCIOKKQEUOZGK-CGXNFDGLSA-N 1 2 370.468 2.714 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)C1CCC1 ZINC001110868308 1011280934 /nfs/dbraw/zinc/28/09/34/1011280934.db2.gz BKCIOKKQEUOZGK-CGXNFDGLSA-N 1 2 370.468 2.714 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1)C1CCC1 ZINC001110868886 1011283036 /nfs/dbraw/zinc/28/30/36/1011283036.db2.gz UTUVUZMWBIMVCQ-RSPOEFSDSA-N 1 2 371.456 2.734 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1)C1CCC1 ZINC001110868886 1011283055 /nfs/dbraw/zinc/28/30/55/1011283055.db2.gz UTUVUZMWBIMVCQ-RSPOEFSDSA-N 1 2 371.456 2.734 20 30 FFEDLO C#CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1)C(=O)OC ZINC001171593024 1011377211 /nfs/dbraw/zinc/37/72/11/1011377211.db2.gz IANBONAGIRNNKQ-JYJNAYRXSA-N 1 2 366.502 2.955 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000869190808 1011658116 /nfs/dbraw/zinc/65/81/16/1011658116.db2.gz NLGDCMBVOPELNZ-IBGZPJMESA-N 1 2 365.481 2.906 20 30 FFEDLO N#CC1([NH2+][C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CCOCC1 ZINC001172519393 1011861798 /nfs/dbraw/zinc/86/17/98/1011861798.db2.gz AYNGJQWJIKHYHT-SLFFLAALSA-N 1 2 367.493 2.980 20 30 FFEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172670026 1011947473 /nfs/dbraw/zinc/94/74/73/1011947473.db2.gz FEHYZUUXYNRPHF-OALUTQOASA-N 1 2 358.482 2.911 20 30 FFEDLO COc1cc(Cl)ncc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001275110533 1011949139 /nfs/dbraw/zinc/94/91/39/1011949139.db2.gz AQHNSUHQRLSQOT-HUUCEWRRSA-N 1 2 362.861 2.613 20 30 FFEDLO COc1cc(Cl)ncc1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001275110533 1011949146 /nfs/dbraw/zinc/94/91/46/1011949146.db2.gz AQHNSUHQRLSQOT-HUUCEWRRSA-N 1 2 362.861 2.613 20 30 FFEDLO CCCCCCCCC[NH+]1CC2(C1)CN(Cc1ncccn1)C(=O)CO2 ZINC001275119077 1011961357 /nfs/dbraw/zinc/96/13/57/1011961357.db2.gz NKYXJBIINHKAKL-UHFFFAOYSA-N 1 2 360.502 2.640 20 30 FFEDLO COCCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)CCC1 ZINC001221981170 1032612738 /nfs/dbraw/zinc/61/27/38/1032612738.db2.gz WXWPYGGJRILMNR-WOJBJXKFSA-N 1 2 367.493 2.798 20 30 FFEDLO COc1cccc2c1C[C@@H]([NH+]1CCN(c3ccc(C#N)cc3F)CC1)CO2 ZINC001173165955 1012282191 /nfs/dbraw/zinc/28/21/91/1012282191.db2.gz QAKCEEJZEBVYEA-MRXNPFEDSA-N 1 2 367.424 2.832 20 30 FFEDLO COCCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)CCC1 ZINC001221981170 1032612746 /nfs/dbraw/zinc/61/27/46/1032612746.db2.gz WXWPYGGJRILMNR-WOJBJXKFSA-N 1 2 367.493 2.798 20 30 FFEDLO C=C(CCC(=O)N1CC2(C1)CC[N@@H+](COCCOC)C2)c1ccccc1 ZINC001275351608 1012352107 /nfs/dbraw/zinc/35/21/07/1012352107.db2.gz STMCMSBFKQOGMW-UHFFFAOYSA-N 1 2 358.482 2.635 20 30 FFEDLO C=C(CCC(=O)N1CC2(C1)CC[N@H+](COCCOC)C2)c1ccccc1 ZINC001275351608 1012352122 /nfs/dbraw/zinc/35/21/22/1012352122.db2.gz STMCMSBFKQOGMW-UHFFFAOYSA-N 1 2 358.482 2.635 20 30 FFEDLO Cc1cccn2cc(C[N@@H+]3CCC[C@@]34CCN(CCCC#N)C4=O)nc12 ZINC001275455830 1012483134 /nfs/dbraw/zinc/48/31/34/1012483134.db2.gz QIWFYWQHTCWIEZ-FQEVSTJZSA-N 1 2 351.454 2.513 20 30 FFEDLO Cc1cccn2cc(C[N@H+]3CCC[C@@]34CCN(CCCC#N)C4=O)nc12 ZINC001275455830 1012483139 /nfs/dbraw/zinc/48/31/39/1012483139.db2.gz QIWFYWQHTCWIEZ-FQEVSTJZSA-N 1 2 351.454 2.513 20 30 FFEDLO Cc1nc2c(s1)C[N@@H+](C1CCN(C(=O)c3ccc(C#N)cc3)CC1)C2 ZINC001173436630 1012553220 /nfs/dbraw/zinc/55/32/20/1012553220.db2.gz YAMJQTOKMXPBQF-UHFFFAOYSA-N 1 2 352.463 2.944 20 30 FFEDLO Cc1nc2c(s1)C[N@H+](C1CCN(C(=O)c3ccc(C#N)cc3)CC1)C2 ZINC001173436630 1012553232 /nfs/dbraw/zinc/55/32/32/1012553232.db2.gz YAMJQTOKMXPBQF-UHFFFAOYSA-N 1 2 352.463 2.944 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2CCc1c(Cl)ncnc1Cl ZINC001275532097 1012584762 /nfs/dbraw/zinc/58/47/62/1012584762.db2.gz GXWIHKDOPNKXEU-QGZVFWFLSA-N 1 2 369.296 2.969 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCc1c(Cl)ncnc1Cl ZINC001275532097 1012584779 /nfs/dbraw/zinc/58/47/79/1012584779.db2.gz GXWIHKDOPNKXEU-QGZVFWFLSA-N 1 2 369.296 2.969 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(C)C)s1)C2 ZINC001110170810 1012666339 /nfs/dbraw/zinc/66/63/39/1012666339.db2.gz WPSPJKXSKAFHFA-ILXRZTDVSA-N 1 2 361.511 2.509 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(C)C)s1)C2 ZINC001110170810 1012666356 /nfs/dbraw/zinc/66/63/56/1012666356.db2.gz WPSPJKXSKAFHFA-ILXRZTDVSA-N 1 2 361.511 2.509 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)c1cnsn1 ZINC001095207925 1012706397 /nfs/dbraw/zinc/70/63/97/1012706397.db2.gz NVEJHBZYAKNJFY-VYDXJSESSA-N 1 2 372.881 2.578 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)c1cnsn1 ZINC001095207925 1012706407 /nfs/dbraw/zinc/70/64/07/1012706407.db2.gz NVEJHBZYAKNJFY-VYDXJSESSA-N 1 2 372.881 2.578 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(F)cc1Cl)C2 ZINC001275690138 1012868970 /nfs/dbraw/zinc/86/89/70/1012868970.db2.gz DXGQRJRTLWMPCZ-GOSISDBHSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(F)cc1Cl)C2 ZINC001275690138 1012868985 /nfs/dbraw/zinc/86/89/85/1012868985.db2.gz DXGQRJRTLWMPCZ-GOSISDBHSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3c(F)cccc3C(F)(F)F)C2)OCC1=O ZINC001275705666 1012888080 /nfs/dbraw/zinc/88/80/80/1012888080.db2.gz RIYRMIQZTBNCQX-QGZVFWFLSA-N 1 2 372.362 2.834 20 30 FFEDLO C=CCN1C[C@]2(CC[N@H+](Cc3c(F)cccc3C(F)(F)F)C2)OCC1=O ZINC001275705666 1012888096 /nfs/dbraw/zinc/88/80/96/1012888096.db2.gz RIYRMIQZTBNCQX-QGZVFWFLSA-N 1 2 372.362 2.834 20 30 FFEDLO CCc1ocnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095256206 1012969410 /nfs/dbraw/zinc/96/94/10/1012969410.db2.gz NFSHIMIZAWJAOY-PVAVHDDUSA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1ocnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095256206 1012969415 /nfs/dbraw/zinc/96/94/15/1012969415.db2.gz NFSHIMIZAWJAOY-PVAVHDDUSA-N 1 2 368.412 2.783 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cnc(C2CC2)nc1 ZINC001097983992 1017232994 /nfs/dbraw/zinc/23/29/94/1017232994.db2.gz NIURDADQQYNLSJ-NJYVYQBISA-N 1 2 372.472 2.741 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cnc(C2CC2)nc1 ZINC001097983992 1017233008 /nfs/dbraw/zinc/23/30/08/1017233008.db2.gz NIURDADQQYNLSJ-NJYVYQBISA-N 1 2 372.472 2.741 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001097255533 1017253400 /nfs/dbraw/zinc/25/34/00/1017253400.db2.gz GOLLYPSKSQTZLK-ZTTMTSROSA-N 1 2 371.456 2.734 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001097255533 1017253405 /nfs/dbraw/zinc/25/34/05/1017253405.db2.gz GOLLYPSKSQTZLK-ZTTMTSROSA-N 1 2 371.456 2.734 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccnn4C)C[C@H]32)CCCCC1 ZINC001222040406 1032690093 /nfs/dbraw/zinc/69/00/93/1032690093.db2.gz ZVBCMFVBRGBRSG-IEBWSBKVSA-N 1 2 356.514 2.979 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccnn4C)C[C@H]32)CCCCC1 ZINC001222040406 1032690102 /nfs/dbraw/zinc/69/01/02/1032690102.db2.gz ZVBCMFVBRGBRSG-IEBWSBKVSA-N 1 2 356.514 2.979 20 30 FFEDLO Cc1noc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)c1C ZINC001097296939 1017328695 /nfs/dbraw/zinc/32/86/95/1017328695.db2.gz XQEXSBCXQKIJJC-NXHRZFHOSA-N 1 2 368.412 2.838 20 30 FFEDLO Cc1noc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)c1C ZINC001097296939 1017328711 /nfs/dbraw/zinc/32/87/11/1017328711.db2.gz XQEXSBCXQKIJJC-NXHRZFHOSA-N 1 2 368.412 2.838 20 30 FFEDLO C=CCCC[C@H]1NC(=O)N([C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1=O ZINC000924561337 1017357333 /nfs/dbraw/zinc/35/73/33/1017357333.db2.gz SKXOXYWBDGAUMC-SJORKVTESA-N 1 2 352.438 2.981 20 30 FFEDLO N#Cc1cnc(N[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c(Cl)c1 ZINC001057773690 1017454858 /nfs/dbraw/zinc/45/48/58/1017454858.db2.gz RNNPMBJWMKJMNZ-BFHYXJOUSA-N 1 2 370.844 2.536 20 30 FFEDLO N#Cc1cnc(N[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c(Cl)c1 ZINC001057773690 1017454864 /nfs/dbraw/zinc/45/48/64/1017454864.db2.gz RNNPMBJWMKJMNZ-BFHYXJOUSA-N 1 2 370.844 2.536 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000679901534 1017684941 /nfs/dbraw/zinc/68/49/41/1017684941.db2.gz UBZGHFOXSWXTTF-YJBOKZPZSA-N 1 2 356.388 2.948 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000679901534 1017684948 /nfs/dbraw/zinc/68/49/48/1017684948.db2.gz UBZGHFOXSWXTTF-YJBOKZPZSA-N 1 2 356.388 2.948 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001052081063 1017710238 /nfs/dbraw/zinc/71/02/38/1017710238.db2.gz ZXVJHCSPRPIDSY-BNICSPFPSA-N 1 2 356.470 2.560 20 30 FFEDLO Cc1cc(N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C(F)(F)F)nc(C(C)C)[nH+]1 ZINC001055607499 1017762292 /nfs/dbraw/zinc/76/22/92/1017762292.db2.gz RWGILZFRFISTDV-RAIGVLPGSA-N 1 2 369.391 2.869 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)sc2C)c1 ZINC001097813041 1017977246 /nfs/dbraw/zinc/97/72/46/1017977246.db2.gz LURXYTFIYQJNSM-LMMKCTJWSA-N 1 2 366.490 2.672 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)sc2C)c1 ZINC001097813041 1017977257 /nfs/dbraw/zinc/97/72/57/1017977257.db2.gz LURXYTFIYQJNSM-LMMKCTJWSA-N 1 2 366.490 2.672 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc3ccccc3o2)c1 ZINC001097812573 1017977280 /nfs/dbraw/zinc/97/72/80/1017977280.db2.gz PVTKPPYMTMLSDX-QRQLOZEOSA-N 1 2 372.428 2.739 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc3ccccc3o2)c1 ZINC001097812573 1017977289 /nfs/dbraw/zinc/97/72/89/1017977289.db2.gz PVTKPPYMTMLSDX-QRQLOZEOSA-N 1 2 372.428 2.739 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1conc1C1CC1 ZINC001097818957 1017980675 /nfs/dbraw/zinc/98/06/75/1017980675.db2.gz WVIJZYKQCXXXEJ-RLLQIKCJSA-N 1 2 361.445 2.939 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1conc1C1CC1 ZINC001097818957 1017980687 /nfs/dbraw/zinc/98/06/87/1017980687.db2.gz WVIJZYKQCXXXEJ-RLLQIKCJSA-N 1 2 361.445 2.939 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)s1 ZINC001097879241 1018145911 /nfs/dbraw/zinc/14/59/11/1018145911.db2.gz IENJYIJHXORBIN-MTSZKFMLSA-N 1 2 361.511 2.573 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)s1 ZINC001097879241 1018145917 /nfs/dbraw/zinc/14/59/17/1018145917.db2.gz IENJYIJHXORBIN-MTSZKFMLSA-N 1 2 361.511 2.573 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1F ZINC001097879278 1018146008 /nfs/dbraw/zinc/14/60/08/1018146008.db2.gz JUUWKLHXJNBKKX-XQZMSQOBSA-N 1 2 362.420 2.777 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1F ZINC001097879278 1018146015 /nfs/dbraw/zinc/14/60/15/1018146015.db2.gz JUUWKLHXJNBKKX-XQZMSQOBSA-N 1 2 362.420 2.777 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001057963793 1018219949 /nfs/dbraw/zinc/21/99/49/1018219949.db2.gz LSFAPRQMKRXCRP-MSOLQXFVSA-N 1 2 370.497 2.729 20 30 FFEDLO Cc1cnc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000926747828 1018232545 /nfs/dbraw/zinc/23/25/45/1018232545.db2.gz YQXNXJQBLHQMCQ-UHFFFAOYSA-N 1 2 363.465 2.598 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC2(C[NH+](Cc3ccccc3)C2)O1 ZINC001053600411 1018379941 /nfs/dbraw/zinc/37/99/41/1018379941.db2.gz HZSRYLBTHDYFNU-AQNXPRMDSA-N 1 2 370.493 2.517 20 30 FFEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000827515808 1018393509 /nfs/dbraw/zinc/39/35/09/1018393509.db2.gz QHFGVHXJQXVYHF-HKUYNNGSSA-N 1 2 366.465 2.740 20 30 FFEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000827515811 1018393825 /nfs/dbraw/zinc/39/38/25/1018393825.db2.gz QHFGVHXJQXVYHF-PKOBYXMFSA-N 1 2 366.465 2.740 20 30 FFEDLO C=CCCC1(CNC(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)CCCC1 ZINC000827580232 1018501013 /nfs/dbraw/zinc/50/10/13/1018501013.db2.gz RVDMVBQRCKSKLP-UHFFFAOYSA-N 1 2 373.497 2.966 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cn(C)nc1C(F)F ZINC001110926781 1018566789 /nfs/dbraw/zinc/56/67/89/1018566789.db2.gz UFDCRCNGEBFLGM-OAGGEKHMSA-N 1 2 364.440 2.773 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cn(C)nc1C(F)F ZINC001110926781 1018566798 /nfs/dbraw/zinc/56/67/98/1018566798.db2.gz UFDCRCNGEBFLGM-OAGGEKHMSA-N 1 2 364.440 2.773 20 30 FFEDLO Cc1nc(N[C@@H]2CN(C(=O)[C@H](C)C#N)CC[C@H]2c2ccc(F)cc2)cc[nH+]1 ZINC001041687762 1018816486 /nfs/dbraw/zinc/81/64/86/1018816486.db2.gz VFFSEBDBAOYFJP-JEBQAFNWSA-N 1 2 367.428 2.880 20 30 FFEDLO Cn1nccc1N[NH+]=Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000901223861 1018841794 /nfs/dbraw/zinc/84/17/94/1018841794.db2.gz LUKPGPMHMJQCQK-UHFFFAOYSA-N 1 2 368.466 2.826 20 30 FFEDLO N#CCCc1ccc(NC(=O)c2cccn2CC[NH+]2CCOCC2)cc1 ZINC000928402500 1018972705 /nfs/dbraw/zinc/97/27/05/1018972705.db2.gz VPKLTCUKQCPFKN-UHFFFAOYSA-N 1 2 352.438 2.529 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(-n3cccn3)c1)C2 ZINC001098037337 1019079764 /nfs/dbraw/zinc/07/97/64/1019079764.db2.gz HJPIYKIXDIWQGA-NXHRZFHOSA-N 1 2 356.857 2.960 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(-n3cccn3)c1)C2 ZINC001098037337 1019079781 /nfs/dbraw/zinc/07/97/81/1019079781.db2.gz HJPIYKIXDIWQGA-NXHRZFHOSA-N 1 2 356.857 2.960 20 30 FFEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)CCOCC1 ZINC001098045920 1019148227 /nfs/dbraw/zinc/14/82/27/1019148227.db2.gz YZRBQTWAPGYOPK-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)CCOCC1 ZINC001098045920 1019148232 /nfs/dbraw/zinc/14/82/32/1019148232.db2.gz YZRBQTWAPGYOPK-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO CCCCCNC(=O)[C@@H](C#N)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000796631014 1019150467 /nfs/dbraw/zinc/15/04/67/1019150467.db2.gz GOPLHWBVMTXUIM-LBPRGKRZSA-N 1 2 362.380 2.638 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccccc1NC(C)=O)C2 ZINC001096198513 1019319979 /nfs/dbraw/zinc/31/99/79/1019319979.db2.gz SOLRRFHZOFSICM-NJAFHUGGSA-N 1 2 361.873 2.662 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccccc1NC(C)=O)C2 ZINC001096198513 1019319985 /nfs/dbraw/zinc/31/99/85/1019319985.db2.gz SOLRRFHZOFSICM-NJAFHUGGSA-N 1 2 361.873 2.662 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001110964581 1019332535 /nfs/dbraw/zinc/33/25/35/1019332535.db2.gz QYTXUNNSWNFDHQ-QRVBRYPASA-N 1 2 355.482 2.727 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001110964581 1019332550 /nfs/dbraw/zinc/33/25/50/1019332550.db2.gz QYTXUNNSWNFDHQ-QRVBRYPASA-N 1 2 355.482 2.727 20 30 FFEDLO Cc1ccc(-c2noc([C@H](C)N3CC[NH+](CCO[C@@H](C)C#N)CC3)n2)cc1 ZINC000801915811 1019507351 /nfs/dbraw/zinc/50/73/51/1019507351.db2.gz VCDOBLANUSNSNA-IRXDYDNUSA-N 1 2 369.469 2.652 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001043562638 1019509913 /nfs/dbraw/zinc/50/99/13/1019509913.db2.gz QZHGYQPUKLWDNF-TWILYEHCSA-N 1 2 370.497 2.902 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3cccc4ccccc43)n2CC)CC1 ZINC000801929159 1019517167 /nfs/dbraw/zinc/51/71/67/1019517167.db2.gz HKKXSCACFVDZQK-UHFFFAOYSA-N 1 2 359.477 2.797 20 30 FFEDLO Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@H](Nc3ncc(C#N)cc3F)C2)c(C)[nH+]1 ZINC001043637055 1019553428 /nfs/dbraw/zinc/55/34/28/1019553428.db2.gz IJYHFYAPJLOIPH-SJKOYZFVSA-N 1 2 367.428 2.985 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001069831233 1019625537 /nfs/dbraw/zinc/62/55/37/1019625537.db2.gz ATPCXLQCTSIMLI-MSOLQXFVSA-N 1 2 368.481 2.506 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC001044037603 1019640682 /nfs/dbraw/zinc/64/06/82/1019640682.db2.gz KZQZMSMHCUJKKY-SXLOBPIMSA-N 1 2 358.457 2.937 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ncoc1C1CC1 ZINC001096287076 1019912744 /nfs/dbraw/zinc/91/27/44/1019912744.db2.gz POUKSUUYYUPDHD-QYZOEREBSA-N 1 2 361.445 2.939 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ncoc1C1CC1 ZINC001096287076 1019912751 /nfs/dbraw/zinc/91/27/51/1019912751.db2.gz POUKSUUYYUPDHD-QYZOEREBSA-N 1 2 361.445 2.939 20 30 FFEDLO N#Cc1cccc(OCc2ccoc2C(=O)O[C@@H]2CC[N@@H+](CCF)C2)c1 ZINC000802242350 1019924262 /nfs/dbraw/zinc/92/42/62/1019924262.db2.gz HEXMFRPEPDJVGN-QGZVFWFLSA-N 1 2 358.369 2.931 20 30 FFEDLO N#Cc1cccc(OCc2ccoc2C(=O)O[C@@H]2CC[N@H+](CCF)C2)c1 ZINC000802242350 1019924271 /nfs/dbraw/zinc/92/42/71/1019924271.db2.gz HEXMFRPEPDJVGN-QGZVFWFLSA-N 1 2 358.369 2.931 20 30 FFEDLO C#CCCC[N@H+]1C[C@]2(F)CN(C[C@H](C)CC(F)(F)F)C(=O)[C@]2(F)C1 ZINC001276385414 1020147911 /nfs/dbraw/zinc/14/79/11/1020147911.db2.gz VCZYCDUYMZWRDO-VHDGCEQUSA-N 1 2 352.347 2.563 20 30 FFEDLO C#CCCC[N@@H+]1C[C@]2(F)CN(C[C@H](C)CC(F)(F)F)C(=O)[C@]2(F)C1 ZINC001276385414 1020147914 /nfs/dbraw/zinc/14/79/14/1020147914.db2.gz VCZYCDUYMZWRDO-VHDGCEQUSA-N 1 2 352.347 2.563 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc(C2CC2)n1 ZINC001045851048 1020238031 /nfs/dbraw/zinc/23/80/31/1020238031.db2.gz OHMXRTUVIVLYHU-HCXYKTFWSA-N 1 2 371.481 2.708 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc(C2CC2)n1 ZINC001045851048 1020238048 /nfs/dbraw/zinc/23/80/48/1020238048.db2.gz OHMXRTUVIVLYHU-HCXYKTFWSA-N 1 2 371.481 2.708 20 30 FFEDLO N#Cc1ccc(C2CC[NH+](CN3C(=O)C[C@@]4(CCSC4)C3=O)CC2)cc1 ZINC000902589937 1020316608 /nfs/dbraw/zinc/31/66/08/1020316608.db2.gz PFUHVABUFRZACQ-HXUWFJFHSA-N 1 2 369.490 2.577 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccs2)CC1 ZINC000802699906 1020334980 /nfs/dbraw/zinc/33/49/80/1020334980.db2.gz KLOSSDMGCOFJNC-UHFFFAOYSA-N 1 2 367.478 2.712 20 30 FFEDLO C#CC1(O)CC[NH+](CC(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000931146387 1020346140 /nfs/dbraw/zinc/34/61/40/1020346140.db2.gz XEWTVTDXWQVJEU-UHFFFAOYSA-N 1 2 350.418 2.878 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cc(Cl)no1 ZINC001096399072 1020402159 /nfs/dbraw/zinc/40/21/59/1020402159.db2.gz NFAAIPLDXMEJQG-PMPSAXMXSA-N 1 2 355.825 2.715 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cc(Cl)no1 ZINC001096399072 1020402162 /nfs/dbraw/zinc/40/21/62/1020402162.db2.gz NFAAIPLDXMEJQG-PMPSAXMXSA-N 1 2 355.825 2.715 20 30 FFEDLO C=CCCC1(C(=O)N2CCC(C)(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC001073241782 1020451915 /nfs/dbraw/zinc/45/19/15/1020451915.db2.gz ILLJPNWHBQWDCM-HZPDHXFCSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCCC1(C(=O)N2CCC(C)(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC001073241782 1020451920 /nfs/dbraw/zinc/45/19/20/1020451920.db2.gz ILLJPNWHBQWDCM-HZPDHXFCSA-N 1 2 370.497 2.757 20 30 FFEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(C#N)cn2)c[nH+]1 ZINC001046157276 1020508749 /nfs/dbraw/zinc/50/87/49/1020508749.db2.gz OIBQQXJBEKIUNU-IAGOWNOFSA-N 1 2 366.469 2.733 20 30 FFEDLO CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c(C)n1 ZINC001096080592 1020541864 /nfs/dbraw/zinc/54/18/64/1020541864.db2.gz SUSJHMMKFHQQRR-HOJAQTOUSA-N 1 2 363.465 2.618 20 30 FFEDLO CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c(C)n1 ZINC001096080592 1020541867 /nfs/dbraw/zinc/54/18/67/1020541867.db2.gz SUSJHMMKFHQQRR-HOJAQTOUSA-N 1 2 363.465 2.618 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC001073407792 1020575264 /nfs/dbraw/zinc/57/52/64/1020575264.db2.gz SGLNGBKEYNQNLF-BFYDXBDKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC001073407792 1020575272 /nfs/dbraw/zinc/57/52/72/1020575272.db2.gz SGLNGBKEYNQNLF-BFYDXBDKSA-N 1 2 358.486 2.613 20 30 FFEDLO CC(C)OCC(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001222361737 1032912709 /nfs/dbraw/zinc/91/27/09/1032912709.db2.gz GIRCCCJJJISFFQ-BEFAXECRSA-N 1 2 359.445 2.545 20 30 FFEDLO CC(C)OCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001222361737 1032912718 /nfs/dbraw/zinc/91/27/18/1032912718.db2.gz GIRCCCJJJISFFQ-BEFAXECRSA-N 1 2 359.445 2.545 20 30 FFEDLO CCc1nc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001096449367 1020629008 /nfs/dbraw/zinc/62/90/08/1020629008.db2.gz GZVXUCQANAIRSZ-JLSDUUJJSA-N 1 2 367.428 2.518 20 30 FFEDLO CCc1nc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001096449367 1020629015 /nfs/dbraw/zinc/62/90/15/1020629015.db2.gz GZVXUCQANAIRSZ-JLSDUUJJSA-N 1 2 367.428 2.518 20 30 FFEDLO Cc1nc([C@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)no1 ZINC000931948853 1020641000 /nfs/dbraw/zinc/64/10/00/1020641000.db2.gz LCVZTZOSEVKDLR-WBVHZDCISA-N 1 2 367.453 2.811 20 30 FFEDLO Cc1nc([C@H]2CC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)no1 ZINC000931948853 1020641005 /nfs/dbraw/zinc/64/10/05/1020641005.db2.gz LCVZTZOSEVKDLR-WBVHZDCISA-N 1 2 367.453 2.811 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2CC1 ZINC001074361866 1020645483 /nfs/dbraw/zinc/64/54/83/1020645483.db2.gz PSBMCUOIFXDVMT-XMTFNYHQSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2CC1 ZINC001074361866 1020645484 /nfs/dbraw/zinc/64/54/84/1020645484.db2.gz PSBMCUOIFXDVMT-XMTFNYHQSA-N 1 2 370.497 2.567 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(F)c2)nc1 ZINC001098237161 1020753916 /nfs/dbraw/zinc/75/39/16/1020753916.db2.gz FFDUMYAKYBLGOK-YSGRDPCXSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(F)c2)nc1 ZINC001098237161 1020753921 /nfs/dbraw/zinc/75/39/21/1020753921.db2.gz FFDUMYAKYBLGOK-YSGRDPCXSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(F)c2F)nc1 ZINC001098246553 1020759901 /nfs/dbraw/zinc/75/99/01/1020759901.db2.gz IJPFLUZSMFFKTL-LZQZEXGQSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(F)c2F)nc1 ZINC001098246553 1020759906 /nfs/dbraw/zinc/75/99/06/1020759906.db2.gz IJPFLUZSMFFKTL-LZQZEXGQSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccncc2Cl)cn1 ZINC001098245554 1020760043 /nfs/dbraw/zinc/76/00/43/1020760043.db2.gz QRBBUWKQVJCXNF-QRQLOZEOSA-N 1 2 366.852 2.647 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccncc2Cl)cn1 ZINC001098245554 1020760053 /nfs/dbraw/zinc/76/00/53/1020760053.db2.gz QRBBUWKQVJCXNF-QRQLOZEOSA-N 1 2 366.852 2.647 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](CC(=C)Br)[C@H]2C1 ZINC001222392445 1032934052 /nfs/dbraw/zinc/93/40/52/1032934052.db2.gz DUDQNSDHHSDJIO-OAGGEKHMSA-N 1 2 371.319 2.799 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](CC(=C)Br)[C@H]2C1 ZINC001222392445 1032934061 /nfs/dbraw/zinc/93/40/61/1032934061.db2.gz DUDQNSDHHSDJIO-OAGGEKHMSA-N 1 2 371.319 2.799 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH+]1CCC(F)(C2CC2)CC1 ZINC000932626467 1020854219 /nfs/dbraw/zinc/85/42/19/1020854219.db2.gz IFWFUCCIBNKZIL-UHFFFAOYSA-N 1 2 367.428 2.897 20 30 FFEDLO COC[C@@H]1CC[C@@H]([C@H]2COCC[N@@H+]2Cc2ccccc2C(C)(C)C#N)O1 ZINC000933196644 1020975354 /nfs/dbraw/zinc/97/53/54/1020975354.db2.gz HPOUCACXPXOAGJ-SXLOBPIMSA-N 1 2 358.482 2.883 20 30 FFEDLO COC[C@@H]1CC[C@@H]([C@H]2COCC[N@H+]2Cc2ccccc2C(C)(C)C#N)O1 ZINC000933196644 1020975355 /nfs/dbraw/zinc/97/53/55/1020975355.db2.gz HPOUCACXPXOAGJ-SXLOBPIMSA-N 1 2 358.482 2.883 20 30 FFEDLO Cc1noc(C[C@@H]2CCC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)n1 ZINC000933568467 1021033802 /nfs/dbraw/zinc/03/38/02/1021033802.db2.gz DKIXEIZZNWHMCZ-ZDUSSCGKSA-N 1 2 373.844 2.796 20 30 FFEDLO Cc1noc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)n1 ZINC000933568467 1021033809 /nfs/dbraw/zinc/03/38/09/1021033809.db2.gz DKIXEIZZNWHMCZ-ZDUSSCGKSA-N 1 2 373.844 2.796 20 30 FFEDLO O=C1C=COC2(CC[NH+]([C@@H]3CCCN(c4ccccc4F)C3=O)CC2)C1 ZINC000933647609 1021057361 /nfs/dbraw/zinc/05/73/61/1021057361.db2.gz DNJXLVAWPPXIIA-GOSISDBHSA-N 1 2 358.413 2.659 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCOC[C@H]1C[C@@H]1CCOC1)c1ccccc1 ZINC000933678165 1021067717 /nfs/dbraw/zinc/06/77/17/1021067717.db2.gz YNLZMGZILHUYPI-CEWLAPEOSA-N 1 2 356.466 2.554 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCOC[C@H]1C[C@@H]1CCOC1)c1ccccc1 ZINC000933678165 1021067721 /nfs/dbraw/zinc/06/77/21/1021067721.db2.gz YNLZMGZILHUYPI-CEWLAPEOSA-N 1 2 356.466 2.554 20 30 FFEDLO Cc1nnsc1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1C#N)C2 ZINC001098722326 1021074149 /nfs/dbraw/zinc/07/41/49/1021074149.db2.gz OZKJOBFJPGYSRH-LPHOPBHVSA-N 1 2 367.478 2.503 20 30 FFEDLO Cc1nnsc1C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1C#N)C2 ZINC001098722326 1021074154 /nfs/dbraw/zinc/07/41/54/1021074154.db2.gz OZKJOBFJPGYSRH-LPHOPBHVSA-N 1 2 367.478 2.503 20 30 FFEDLO N#Cc1cc(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2ncc(C4CC4)o2)C3)c[nH]1 ZINC001098800584 1021160459 /nfs/dbraw/zinc/16/04/59/1021160459.db2.gz JDMRJVKONWVPDB-YWZLYKJASA-N 1 2 365.437 2.536 20 30 FFEDLO N#Cc1cc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2ncc(C4CC4)o2)C3)c[nH]1 ZINC001098800584 1021160465 /nfs/dbraw/zinc/16/04/65/1021160465.db2.gz JDMRJVKONWVPDB-YWZLYKJASA-N 1 2 365.437 2.536 20 30 FFEDLO COc1cnc([C@@H]2CCC[N@@H+]2CCCOc2cccc(C#N)c2)[nH]c1=O ZINC000934275156 1021182793 /nfs/dbraw/zinc/18/27/93/1021182793.db2.gz YSZSMHUTIOWFJV-INIZCTEOSA-N 1 2 354.410 2.668 20 30 FFEDLO COc1cnc([C@@H]2CCC[N@H+]2CCCOc2cccc(C#N)c2)[nH]c1=O ZINC000934275156 1021182800 /nfs/dbraw/zinc/18/28/00/1021182800.db2.gz YSZSMHUTIOWFJV-INIZCTEOSA-N 1 2 354.410 2.668 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001111072244 1021193522 /nfs/dbraw/zinc/19/35/22/1021193522.db2.gz HOGIJAFOWCBQLH-QRVBRYPASA-N 1 2 369.509 2.973 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001111072244 1021193529 /nfs/dbraw/zinc/19/35/29/1021193529.db2.gz HOGIJAFOWCBQLH-QRVBRYPASA-N 1 2 369.509 2.973 20 30 FFEDLO C[C@]1(C2CC2)COCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000934476828 1021252712 /nfs/dbraw/zinc/25/27/12/1021252712.db2.gz GDLJIKFBHFBCSG-HRAATJIYSA-N 1 2 362.433 2.725 20 30 FFEDLO C[C@]1(C2CC2)COCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000934476828 1021252725 /nfs/dbraw/zinc/25/27/25/1021252725.db2.gz GDLJIKFBHFBCSG-HRAATJIYSA-N 1 2 362.433 2.725 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)c1 ZINC001014500148 1021876459 /nfs/dbraw/zinc/87/64/59/1021876459.db2.gz FUAIVKYHGROXMO-GBESFXJTSA-N 1 2 364.424 2.587 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)c1 ZINC001014500148 1021876476 /nfs/dbraw/zinc/87/64/76/1021876476.db2.gz FUAIVKYHGROXMO-GBESFXJTSA-N 1 2 364.424 2.587 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)c(F)c1 ZINC001015737048 1021957311 /nfs/dbraw/zinc/95/73/11/1021957311.db2.gz UKAIPIMBBIYXDC-GBESFXJTSA-N 1 2 364.424 2.587 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)c(F)c1 ZINC001015737048 1021957325 /nfs/dbraw/zinc/95/73/25/1021957325.db2.gz UKAIPIMBBIYXDC-GBESFXJTSA-N 1 2 364.424 2.587 20 30 FFEDLO CCc1cnccc1CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000778519908 1022065020 /nfs/dbraw/zinc/06/50/20/1022065020.db2.gz UUOZOEYHQXWQHY-UHFFFAOYSA-N 1 2 361.449 2.804 20 30 FFEDLO N#Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)c2ccoc2)C[C@H]1C(F)(F)F ZINC001099211029 1022090565 /nfs/dbraw/zinc/09/05/65/1022090565.db2.gz AYDOQJCIUAWKNU-HZPDHXFCSA-N 1 2 363.339 2.944 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](Oc2ncc(-c3ccc(Cl)cc3)cc2C#N)C[NH2+]1 ZINC001218173550 1033029645 /nfs/dbraw/zinc/02/96/45/1033029645.db2.gz DIIGVSMYPFVNLB-CVEARBPZSA-N 1 2 357.797 2.556 20 30 FFEDLO CC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3ccccc3C#N)C2)CC1 ZINC001099255243 1022172499 /nfs/dbraw/zinc/17/24/99/1022172499.db2.gz LQISCLKFGSVAGZ-HUUCEWRRSA-N 1 2 351.372 2.837 20 30 FFEDLO N#Cc1cccc(NC(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001202787635 1022182275 /nfs/dbraw/zinc/18/22/75/1022182275.db2.gz OYDQDMVYGXODAD-UHFFFAOYSA-N 1 2 366.421 2.913 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3CC(C)C)[C@H]2C1 ZINC001222547114 1033043336 /nfs/dbraw/zinc/04/33/36/1033043336.db2.gz KDKXSOXWTFEXQK-MOPGFXCFSA-N 1 2 371.529 2.551 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3CC(C)C)[C@H]2C1 ZINC001222547114 1033043342 /nfs/dbraw/zinc/04/33/42/1033043342.db2.gz KDKXSOXWTFEXQK-MOPGFXCFSA-N 1 2 371.529 2.551 20 30 FFEDLO COCCC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001111244864 1022573817 /nfs/dbraw/zinc/57/38/17/1022573817.db2.gz WMWUDIACDBLALT-GVXRKXQCSA-N 1 2 373.472 2.982 20 30 FFEDLO COCCC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001111244864 1022573822 /nfs/dbraw/zinc/57/38/22/1022573822.db2.gz WMWUDIACDBLALT-GVXRKXQCSA-N 1 2 373.472 2.982 20 30 FFEDLO N#Cc1ccc(OCCC[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000159326613 1022652652 /nfs/dbraw/zinc/65/26/52/1022652652.db2.gz KGYUSBHXIRAFFN-PKOBYXMFSA-N 1 2 356.422 2.745 20 30 FFEDLO N#Cc1ccc(OCCC[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000159326613 1022652666 /nfs/dbraw/zinc/65/26/66/1022652666.db2.gz KGYUSBHXIRAFFN-PKOBYXMFSA-N 1 2 356.422 2.745 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)c(F)c1 ZINC001038807813 1022717429 /nfs/dbraw/zinc/71/74/29/1022717429.db2.gz NAYDAAZTKXZNKM-BXWFABGCSA-N 1 2 362.445 2.506 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)c(F)c1 ZINC001038807813 1022717440 /nfs/dbraw/zinc/71/74/40/1022717440.db2.gz NAYDAAZTKXZNKM-BXWFABGCSA-N 1 2 362.445 2.506 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3[nH]ccc3n1)C2 ZINC001095752761 1022733111 /nfs/dbraw/zinc/73/31/11/1022733111.db2.gz ANXVOZHHXYIGJR-CZAAIQMYSA-N 1 2 371.444 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3[nH]ccc3n1)C2 ZINC001095752761 1022733121 /nfs/dbraw/zinc/73/31/21/1022733121.db2.gz ANXVOZHHXYIGJR-CZAAIQMYSA-N 1 2 371.444 2.970 20 30 FFEDLO C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1nc(C#N)c(Cl)s1 ZINC001099765481 1022817904 /nfs/dbraw/zinc/81/79/04/1022817904.db2.gz UHKOZVJQGLRFQA-OPRDCNLKSA-N 1 2 364.862 2.502 20 30 FFEDLO C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1nc(C#N)c(Cl)s1 ZINC001099765481 1022817914 /nfs/dbraw/zinc/81/79/14/1022817914.db2.gz UHKOZVJQGLRFQA-OPRDCNLKSA-N 1 2 364.862 2.502 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)c1cc(F)c[nH]1 ZINC001095778277 1022829905 /nfs/dbraw/zinc/82/99/05/1022829905.db2.gz RNEMJPKEHICFGO-AOIWGVFYSA-N 1 2 355.388 2.680 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)c1cc(F)c[nH]1 ZINC001095778277 1022829922 /nfs/dbraw/zinc/82/99/22/1022829922.db2.gz RNEMJPKEHICFGO-AOIWGVFYSA-N 1 2 355.388 2.680 20 30 FFEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000780318202 1022836903 /nfs/dbraw/zinc/83/69/03/1022836903.db2.gz FUILISZPJMRDFV-VQTJNVASSA-N 1 2 357.404 2.881 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](C(C)C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001122394327 1023239870 /nfs/dbraw/zinc/23/98/70/1023239870.db2.gz AESDSBUINASFKN-ABSDTBQOSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](C(C)C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001122394327 1023239880 /nfs/dbraw/zinc/23/98/80/1023239880.db2.gz AESDSBUINASFKN-ABSDTBQOSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2Cc3ccccc3[C@@H]2C)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001122396031 1023241519 /nfs/dbraw/zinc/24/15/19/1023241519.db2.gz VLHJSEDORDSWSP-WJPUGNRLSA-N 1 2 367.497 2.847 20 30 FFEDLO C=C(C)Cn1c(N2Cc3ccccc3[C@@H]2C)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001122396031 1023241526 /nfs/dbraw/zinc/24/15/26/1023241526.db2.gz VLHJSEDORDSWSP-WJPUGNRLSA-N 1 2 367.497 2.847 20 30 FFEDLO COC(=O)[C@H]1[NH2+]CC[C@H]1Oc1ncc(-c2ccc(Cl)cc2)cc1C#N ZINC001218349208 1033118545 /nfs/dbraw/zinc/11/85/45/1033118545.db2.gz ZOYDZKOYZGQQMO-CVEARBPZSA-N 1 2 357.797 2.556 20 30 FFEDLO C=C(C)Cn1c(CCCC#N)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001122464246 1023287217 /nfs/dbraw/zinc/28/72/17/1023287217.db2.gz MADYJXVPFHTJER-UHFFFAOYSA-N 1 2 365.485 2.724 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC[C@H](c2ccn(C)n2)C1 ZINC001122487620 1023301242 /nfs/dbraw/zinc/30/12/42/1023301242.db2.gz DODHMNBLGICMHP-KRWDZBQOSA-N 1 2 369.517 2.568 20 30 FFEDLO COc1cccc(OCC2N=NC(=S)N2N=C2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000753954239 1023405979 /nfs/dbraw/zinc/40/59/79/1023405979.db2.gz CNTYIBWNSYIHFB-GFCCVEGCSA-N 1 2 373.482 2.615 20 30 FFEDLO COc1cccc(OCC2N=NC(=S)N2N=C2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000753954239 1023405985 /nfs/dbraw/zinc/40/59/85/1023405985.db2.gz CNTYIBWNSYIHFB-GFCCVEGCSA-N 1 2 373.482 2.615 20 30 FFEDLO C=C(C)C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000948929902 1023416762 /nfs/dbraw/zinc/41/67/62/1023416762.db2.gz UOSTYHCFKPHXID-GGPKGHCWSA-N 1 2 350.466 2.805 20 30 FFEDLO C=C(C)C[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000948929902 1023416769 /nfs/dbraw/zinc/41/67/69/1023416769.db2.gz UOSTYHCFKPHXID-GGPKGHCWSA-N 1 2 350.466 2.805 20 30 FFEDLO C=C(C)c1cccc(NC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC001120971411 1023550096 /nfs/dbraw/zinc/55/00/96/1023550096.db2.gz OMCWOWBCTRIBJD-INIZCTEOSA-N 1 2 352.438 2.798 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc([C@H]3CCC[N@H+]3C)n2C[C@@H]2CCOC2)C1 ZINC001123113986 1023641413 /nfs/dbraw/zinc/64/14/13/1023641413.db2.gz RCBBSTBIMPBEGV-FGTMMUONSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc([C@H]3CCC[N@@H+]3C)n2C[C@@H]2CCOC2)C1 ZINC001123113986 1023641417 /nfs/dbraw/zinc/64/14/17/1023641417.db2.gz RCBBSTBIMPBEGV-FGTMMUONSA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC([NH2+]CC(F)(F)C(F)F)C1 ZINC001100744421 1023677024 /nfs/dbraw/zinc/67/70/24/1023677024.db2.gz XWFHNBCJXYNLNX-HOAMVYINSA-N 1 2 366.399 2.743 20 30 FFEDLO N#C[C@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2C[C@H]2CCCCO2)C1 ZINC001123199632 1023682898 /nfs/dbraw/zinc/68/28/98/1023682898.db2.gz AUKBZJHRKUIFCB-QZTJIDSGSA-N 1 2 372.517 2.573 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C#N ZINC000756545168 1023725925 /nfs/dbraw/zinc/72/59/25/1023725925.db2.gz QMQGKMOEARHZHP-HNNXBMFYSA-N 1 2 373.453 2.786 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C#N ZINC000756545168 1023725930 /nfs/dbraw/zinc/72/59/30/1023725930.db2.gz QMQGKMOEARHZHP-HNNXBMFYSA-N 1 2 373.453 2.786 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001121583968 1023863631 /nfs/dbraw/zinc/86/36/31/1023863631.db2.gz BPXTYFBATISIDX-SFHVURJKSA-N 1 2 372.517 2.562 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc(Cc2[nH+]ccn2C)n1CC1CC1 ZINC001123597546 1023892243 /nfs/dbraw/zinc/89/22/43/1023892243.db2.gz QDXFNHYCVGKWPY-UHFFFAOYSA-N 1 2 355.490 2.779 20 30 FFEDLO CC[C@@H]1CN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC)C[C@H](CC)O1 ZINC001121712868 1023940807 /nfs/dbraw/zinc/94/08/07/1023940807.db2.gz RSECPDJHNVIBBP-HDICACEKSA-N 1 2 374.533 2.785 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCCC[C@@H](COC)C1 ZINC001121713452 1023941280 /nfs/dbraw/zinc/94/12/80/1023941280.db2.gz YBQLWOFCXJJCPE-QGZVFWFLSA-N 1 2 374.533 2.644 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1c1nccs1)C2 ZINC001095815015 1023987764 /nfs/dbraw/zinc/98/77/64/1023987764.db2.gz SFDLUUNNFCLBGR-QPSCCSFWSA-N 1 2 366.918 2.586 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1c1nccs1)C2 ZINC001095815015 1023987776 /nfs/dbraw/zinc/98/77/76/1023987776.db2.gz SFDLUUNNFCLBGR-QPSCCSFWSA-N 1 2 366.918 2.586 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000829491758 1033183779 /nfs/dbraw/zinc/18/37/79/1033183779.db2.gz OEBZWSRWADLAGZ-OAHLLOKOSA-N 1 2 366.371 2.778 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@H]2C[N@H+](Cc3cc(C(C)(C)C)on3)C[C@@]2(C)C1 ZINC001101229610 1024138223 /nfs/dbraw/zinc/13/82/23/1024138223.db2.gz HCUAKFARMMUMJM-IERDGZPVSA-N 1 2 357.498 2.912 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)on3)C[C@@]2(C)C1 ZINC001101229610 1024138234 /nfs/dbraw/zinc/13/82/34/1024138234.db2.gz HCUAKFARMMUMJM-IERDGZPVSA-N 1 2 357.498 2.912 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218523310 1033199762 /nfs/dbraw/zinc/19/97/62/1033199762.db2.gz KMLXTACSEOZNQB-FHLIZLRMSA-N 1 2 359.495 2.634 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218523310 1033199771 /nfs/dbraw/zinc/19/97/71/1033199771.db2.gz KMLXTACSEOZNQB-FHLIZLRMSA-N 1 2 359.495 2.634 20 30 FFEDLO CON(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CCc1ccccc1 ZINC001122110416 1024344610 /nfs/dbraw/zinc/34/46/10/1024344610.db2.gz QPKFDLSMWZCRED-UHFFFAOYSA-N 1 2 368.485 2.611 20 30 FFEDLO C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC[N@@H+]2C)n1CCc1ccccc1 ZINC001122189620 1024418105 /nfs/dbraw/zinc/41/81/05/1024418105.db2.gz JUHOGDWAEZLBTP-AEFFLSMTSA-N 1 2 352.486 2.883 20 30 FFEDLO C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC[N@H+]2C)n1CCc1ccccc1 ZINC001122189620 1024418112 /nfs/dbraw/zinc/41/81/12/1024418112.db2.gz JUHOGDWAEZLBTP-AEFFLSMTSA-N 1 2 352.486 2.883 20 30 FFEDLO C[C@H](C#N)CN(C)c1nnc([C@H]2CCC[N@@H+]2C)n1CCc1ccccc1 ZINC001122189622 1024418277 /nfs/dbraw/zinc/41/82/77/1024418277.db2.gz JUHOGDWAEZLBTP-SJLPKXTDSA-N 1 2 352.486 2.883 20 30 FFEDLO C[C@H](C#N)CN(C)c1nnc([C@H]2CCC[N@H+]2C)n1CCc1ccccc1 ZINC001122189622 1024418283 /nfs/dbraw/zinc/41/82/83/1024418283.db2.gz JUHOGDWAEZLBTP-SJLPKXTDSA-N 1 2 352.486 2.883 20 30 FFEDLO CCOC(=O)c1ccc(-n2c(C)cc(C=NNC3=[NH+]C[C@@H](C)N3)c2C)cc1 ZINC000779803876 1024707089 /nfs/dbraw/zinc/70/70/89/1024707089.db2.gz ZTSKSIZWULTSSC-CYBMUJFWSA-N 1 2 367.453 2.542 20 30 FFEDLO N#CCOc1ccccc1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000194859239 1024911354 /nfs/dbraw/zinc/91/13/54/1024911354.db2.gz XAOWCDRQGIEIQK-UHFFFAOYSA-N 1 2 351.406 2.673 20 30 FFEDLO C=CC(C)(C)C(=O)N1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000952921300 1025196084 /nfs/dbraw/zinc/19/60/84/1025196084.db2.gz AAGDNHDEPSOSBN-WHSLLNHNSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CC(C)(C)C(=O)N1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000952921300 1025196095 /nfs/dbraw/zinc/19/60/95/1025196095.db2.gz AAGDNHDEPSOSBN-WHSLLNHNSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CCN1c2ccccc2C2(CC[NH+](Cc3ncc(F)cn3)CC2)C1=O ZINC001276861068 1033269381 /nfs/dbraw/zinc/26/93/81/1033269381.db2.gz MMGRZYPSZGOUTO-UHFFFAOYSA-N 1 2 352.413 2.682 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](Cc2ccc3c(c2)COC3)C1 ZINC000953830802 1025362029 /nfs/dbraw/zinc/36/20/29/1025362029.db2.gz JMKJBGXDTAUBHJ-SFTDATJTSA-N 1 2 370.493 2.731 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1C ZINC001102410252 1025921061 /nfs/dbraw/zinc/92/10/61/1025921061.db2.gz SSSHEDDIHYQGFK-HUUCEWRRSA-N 1 2 361.534 2.889 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1C ZINC001102410252 1025921068 /nfs/dbraw/zinc/92/10/68/1025921068.db2.gz SSSHEDDIHYQGFK-HUUCEWRRSA-N 1 2 361.534 2.889 20 30 FFEDLO C#C[C@@H](NC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC000838596861 1026430243 /nfs/dbraw/zinc/43/02/43/1026430243.db2.gz WMWXOAOLHONNAO-UYAOXDASSA-N 1 2 357.498 2.577 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC000839138299 1026601064 /nfs/dbraw/zinc/60/10/64/1026601064.db2.gz OWKGQWVOTKLQIQ-INIZCTEOSA-N 1 2 363.433 2.813 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC000839138299 1026601068 /nfs/dbraw/zinc/60/10/68/1026601068.db2.gz OWKGQWVOTKLQIQ-INIZCTEOSA-N 1 2 363.433 2.813 20 30 FFEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000839602338 1026753931 /nfs/dbraw/zinc/75/39/31/1026753931.db2.gz SKNDXMXQEPHQKU-QGZVFWFLSA-N 1 2 366.461 2.844 20 30 FFEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000839602338 1026753937 /nfs/dbraw/zinc/75/39/37/1026753937.db2.gz SKNDXMXQEPHQKU-QGZVFWFLSA-N 1 2 366.461 2.844 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1nc(C3CC3)no1)C2 ZINC001111725108 1026882067 /nfs/dbraw/zinc/88/20/67/1026882067.db2.gz LGWUQUOSIVPUJH-IIMJZQEZSA-N 1 2 356.470 2.782 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1nc(C3CC3)no1)C2 ZINC001111725108 1026882073 /nfs/dbraw/zinc/88/20/73/1026882073.db2.gz LGWUQUOSIVPUJH-IIMJZQEZSA-N 1 2 356.470 2.782 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2cnsn2)C[C@H]1C ZINC001103030072 1026897958 /nfs/dbraw/zinc/89/79/58/1026897958.db2.gz OLOPYBKZUHFSRN-DGCLKSJQSA-N 1 2 356.923 2.891 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](Cc2cnsn2)C[C@H]1C ZINC001103030072 1026897964 /nfs/dbraw/zinc/89/79/64/1026897964.db2.gz OLOPYBKZUHFSRN-DGCLKSJQSA-N 1 2 356.923 2.891 20 30 FFEDLO CSc1nc(C[N@@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)ccc1C#N ZINC001141932369 1027173595 /nfs/dbraw/zinc/17/35/95/1027173595.db2.gz ZPYLOFWPLVYYEF-JSGCOSHPSA-N 1 2 363.380 2.902 20 30 FFEDLO CSc1nc(C[N@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)ccc1C#N ZINC001141932369 1027173597 /nfs/dbraw/zinc/17/35/97/1027173597.db2.gz ZPYLOFWPLVYYEF-JSGCOSHPSA-N 1 2 363.380 2.902 20 30 FFEDLO CC(C)(S)CNc1[nH+]cnc2c1ccn2S(=O)(=O)c1ccccc1 ZINC001159266170 1027329337 /nfs/dbraw/zinc/32/93/37/1027329337.db2.gz DNWXPLBYHNHEDN-UHFFFAOYSA-N 1 2 362.480 2.789 20 30 FFEDLO CCCCCCCCC(=O)NCC[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1C ZINC001103667974 1027933587 /nfs/dbraw/zinc/93/35/87/1027933587.db2.gz ZNCJJLITKWSZHJ-IAGOWNOFSA-N 1 2 364.538 2.535 20 30 FFEDLO CCCCCCCCC(=O)NCC[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1C ZINC001103667974 1027933594 /nfs/dbraw/zinc/93/35/94/1027933594.db2.gz ZNCJJLITKWSZHJ-IAGOWNOFSA-N 1 2 364.538 2.535 20 30 FFEDLO CC[C@]1(C)CC(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C1=O ZINC000795715593 1027952472 /nfs/dbraw/zinc/95/24/72/1027952472.db2.gz ZPDLGLXGTXJAPZ-HXUWFJFHSA-N 1 2 373.428 2.673 20 30 FFEDLO CCCCCCCC(=O)c1ccc(O)c(C(=O)N2C[C@@H](OC)[C@@H]([NH3+])C2)c1 ZINC001161493311 1028197771 /nfs/dbraw/zinc/19/77/71/1028197771.db2.gz KHWKLIZWPHXYPU-QFBILLFUSA-N 1 2 362.470 2.734 20 30 FFEDLO CCCCCCCC(=O)c1ccc(O)c(C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)c1 ZINC001161506163 1028206026 /nfs/dbraw/zinc/20/60/26/1028206026.db2.gz BLJUEYHMSOTVPY-LJQANCHMSA-N 1 2 374.481 2.735 20 30 FFEDLO N#CCc1nn(-c2ccccc2)c(NC(=O)c2cccc3[nH+]ccn32)c1C#N ZINC001154520579 1028334395 /nfs/dbraw/zinc/33/43/95/1028334395.db2.gz WLHSMEPYCWCMJO-UHFFFAOYSA-N 1 2 367.372 2.710 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccncc1Cl ZINC001155325508 1028675875 /nfs/dbraw/zinc/67/58/75/1028675875.db2.gz DMHTVBAHMZGAJN-UNEWFSDZSA-N 1 2 351.878 2.653 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccncc1Cl ZINC001155325508 1028675884 /nfs/dbraw/zinc/67/58/84/1028675884.db2.gz DMHTVBAHMZGAJN-UNEWFSDZSA-N 1 2 351.878 2.653 20 30 FFEDLO Cc1ccc([C@H](C#N)c2ccc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)nn2)cc1 ZINC001162848214 1028677387 /nfs/dbraw/zinc/67/73/87/1028677387.db2.gz AMIGVJXJFKYIGJ-HOTGVXAUSA-N 1 2 367.453 2.521 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1snnc1C ZINC001155731218 1028878871 /nfs/dbraw/zinc/87/88/71/1028878871.db2.gz WINDRNNFBHXEOK-KMFMINBZSA-N 1 2 366.531 2.544 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1snnc1C ZINC001155731218 1028878882 /nfs/dbraw/zinc/87/88/82/1028878882.db2.gz WINDRNNFBHXEOK-KMFMINBZSA-N 1 2 366.531 2.544 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNc3nnc(C)c(C)c3C#N)C2)c1 ZINC001163938857 1029122707 /nfs/dbraw/zinc/12/27/07/1029122707.db2.gz RGMYAXBDCVSAMU-GOSISDBHSA-N 1 2 351.454 2.586 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNc3nnc(C)c(C)c3C#N)C2)c1 ZINC001163938857 1029122712 /nfs/dbraw/zinc/12/27/12/1029122712.db2.gz RGMYAXBDCVSAMU-GOSISDBHSA-N 1 2 351.454 2.586 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](OCC)C2CC2)C1 ZINC001111750852 1029332996 /nfs/dbraw/zinc/33/29/96/1029332996.db2.gz CUVQUNMHOZHCAB-UXLLHSPISA-N 1 2 371.319 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](OCC)C2CC2)C1 ZINC001111750852 1029333012 /nfs/dbraw/zinc/33/30/12/1029333012.db2.gz CUVQUNMHOZHCAB-UXLLHSPISA-N 1 2 371.319 2.681 20 30 FFEDLO Cc1cccc(-c2cc(C(F)(F)N3CC[NH2+]C[C@H]3C#N)c(Cl)nn2)c1 ZINC001164675976 1029350940 /nfs/dbraw/zinc/35/09/40/1029350940.db2.gz WMSDFIXGLBCFJN-CYBMUJFWSA-N 1 2 363.799 2.952 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C3CC3)n1C)C2 ZINC001111761564 1029370708 /nfs/dbraw/zinc/37/07/08/1029370708.db2.gz AKKRXYNNWDSUQK-KKSFZXQISA-N 1 2 371.529 2.766 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C3CC3)n1C)C2 ZINC001111761564 1029370724 /nfs/dbraw/zinc/37/07/24/1029370724.db2.gz AKKRXYNNWDSUQK-KKSFZXQISA-N 1 2 371.529 2.766 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nccn2CC)C1 ZINC001112086777 1029974061 /nfs/dbraw/zinc/97/40/61/1029974061.db2.gz SEOHMNUDQZOQCT-HUUCEWRRSA-N 1 2 370.419 2.576 20 30 FFEDLO C=CCN(C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(C)C ZINC000783396768 1030075856 /nfs/dbraw/zinc/07/58/56/1030075856.db2.gz YCCGHZYYIUPYCN-UHFFFAOYSA-N 1 2 364.449 2.963 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cscn2)C1 ZINC001112146690 1030097292 /nfs/dbraw/zinc/09/72/92/1030097292.db2.gz IVGSMCDLEBKTEC-ZIAGYGMSSA-N 1 2 359.417 2.816 20 30 FFEDLO Cc1ccc(C(=NC(=O)C=Cc2ccc(Cn3cc[nH+]c3)cc2)NO)nc1 ZINC001142372361 1030367732 /nfs/dbraw/zinc/36/77/32/1030367732.db2.gz BRVMNIZHYVIWCB-VQHVLOKHSA-N 1 2 361.405 2.600 20 30 FFEDLO C=C1CCC(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC001142424861 1030425215 /nfs/dbraw/zinc/42/52/15/1030425215.db2.gz XFILIWWUERFIOI-UHFFFAOYSA-N 1 2 358.482 2.760 20 30 FFEDLO C#C[C@H]1CCCN(c2[nH+]cnc3c2ccn3S(=O)(=O)c2ccccc2)C1 ZINC001167006377 1030605774 /nfs/dbraw/zinc/60/57/74/1030605774.db2.gz LPDWVEDHMHDKCA-HNNXBMFYSA-N 1 2 366.446 2.518 20 30 FFEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1ccc(C#N)cc1 ZINC001203903458 1030972257 /nfs/dbraw/zinc/97/22/57/1030972257.db2.gz UXFBAPKIOGIMQN-LJQANCHMSA-N 1 2 351.454 2.571 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cc(F)c(OC)c(Cl)c2)C1=O ZINC001276452250 1031211747 /nfs/dbraw/zinc/21/17/47/1031211747.db2.gz ACOFPOOAWXGLDW-GOSISDBHSA-N 1 2 350.821 2.688 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)c(OC)c(Cl)c2)C1=O ZINC001276452250 1031211759 /nfs/dbraw/zinc/21/17/59/1031211759.db2.gz ACOFPOOAWXGLDW-GOSISDBHSA-N 1 2 350.821 2.688 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(Cl)ccc(OC)c1F ZINC001276462330 1031274158 /nfs/dbraw/zinc/27/41/58/1031274158.db2.gz NWZZHBSQPFIYOZ-HUUCEWRRSA-N 1 2 350.821 2.686 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(Cl)ccc(OC)c1F ZINC001276462330 1031274174 /nfs/dbraw/zinc/27/41/74/1031274174.db2.gz NWZZHBSQPFIYOZ-HUUCEWRRSA-N 1 2 350.821 2.686 20 30 FFEDLO N#Cc1ccc(F)c(CN2CCc3onc(Cn4cc[nH+]c4)c3C2)c1F ZINC001143167413 1031279897 /nfs/dbraw/zinc/27/98/97/1031279897.db2.gz UXHJJBZHFRJQSR-UHFFFAOYSA-N 1 2 355.348 2.628 20 30 FFEDLO CC#CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1c1cccc(F)c1 ZINC001205410011 1031722693 /nfs/dbraw/zinc/72/26/93/1031722693.db2.gz SMQWDKFOXNWDTP-RRFJBIMHSA-N 1 2 360.326 2.633 20 30 FFEDLO CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1c1cccc(F)c1 ZINC001205410011 1031722704 /nfs/dbraw/zinc/72/27/04/1031722704.db2.gz SMQWDKFOXNWDTP-RRFJBIMHSA-N 1 2 360.326 2.633 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)s3)[C@H]2C1 ZINC001223264230 1033359841 /nfs/dbraw/zinc/35/98/41/1033359841.db2.gz GIOUSWLZBOGDFY-SJORKVTESA-N 1 2 360.527 2.853 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)s3)[C@H]2C1 ZINC001223264230 1033359851 /nfs/dbraw/zinc/35/98/51/1033359851.db2.gz GIOUSWLZBOGDFY-SJORKVTESA-N 1 2 360.527 2.853 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(CC)o3)[C@H]2C1 ZINC001223272077 1033362488 /nfs/dbraw/zinc/36/24/88/1033362488.db2.gz WIEMIBZDOHBVLO-SJORKVTESA-N 1 2 358.486 2.639 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(CC)o3)[C@H]2C1 ZINC001223272077 1033362497 /nfs/dbraw/zinc/36/24/97/1033362497.db2.gz WIEMIBZDOHBVLO-SJORKVTESA-N 1 2 358.486 2.639 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc4n3CCCC4)[C@H]2C1 ZINC001223337948 1033402034 /nfs/dbraw/zinc/40/20/34/1033402034.db2.gz CUVOMDAHTRWAFD-KSZLIROESA-N 1 2 371.529 2.640 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc4n3CCCC4)[C@H]2C1 ZINC001223337948 1033402038 /nfs/dbraw/zinc/40/20/38/1033402038.db2.gz CUVOMDAHTRWAFD-KSZLIROESA-N 1 2 371.529 2.640 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001223586526 1033505047 /nfs/dbraw/zinc/50/50/47/1033505047.db2.gz BVBKGTGBPFYJEE-ZBFHGGJFSA-N 1 2 358.486 2.972 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001223586526 1033505061 /nfs/dbraw/zinc/50/50/61/1033505061.db2.gz BVBKGTGBPFYJEE-ZBFHGGJFSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)c(C)n1)C2 ZINC001276908947 1033538107 /nfs/dbraw/zinc/53/81/07/1033538107.db2.gz GPTBFJJMCYJOJL-IBGZPJMESA-N 1 2 363.889 2.670 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)c(C)n1)C2 ZINC001276908947 1033538113 /nfs/dbraw/zinc/53/81/13/1033538113.db2.gz GPTBFJJMCYJOJL-IBGZPJMESA-N 1 2 363.889 2.670 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC2CC2)CC1 ZINC000830522845 1033655325 /nfs/dbraw/zinc/65/53/25/1033655325.db2.gz MVNUUACNFJQGSI-UHFFFAOYSA-N 1 2 372.476 2.659 20 30 FFEDLO C[C@]1(C(=O)Nc2ccc(Cl)cc2C#C[Si](C)(C)C)COCC[NH2+]1 ZINC001219482705 1033665332 /nfs/dbraw/zinc/66/53/32/1033665332.db2.gz IPIVPYGNPDWGPW-QGZVFWFLSA-N 1 2 350.922 2.886 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OC)C[C@@H]1O ZINC001219708888 1033779154 /nfs/dbraw/zinc/77/91/54/1033779154.db2.gz FLWZXBYGZJDCKH-CVEARBPZSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OC)C[C@@H]1O ZINC001219708888 1033779167 /nfs/dbraw/zinc/77/91/67/1033779167.db2.gz FLWZXBYGZJDCKH-CVEARBPZSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cnn(CC)n4)[C@H]3C2)CCCC1 ZINC001224344651 1033853064 /nfs/dbraw/zinc/85/30/64/1033853064.db2.gz UEEIJUBQHQQNDH-MJGOQNOKSA-N 1 2 371.529 2.857 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4cnn(CC)n4)[C@H]3C2)CCCC1 ZINC001224344651 1033853071 /nfs/dbraw/zinc/85/30/71/1033853071.db2.gz UEEIJUBQHQQNDH-MJGOQNOKSA-N 1 2 371.529 2.857 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CCCc3cccs3)n2CC2CC2)CC1 ZINC000830951193 1033875199 /nfs/dbraw/zinc/87/51/99/1033875199.db2.gz MWTSUHGQYBFFPH-UHFFFAOYSA-N 1 2 369.538 2.680 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C[C@@H]1O ZINC001220247517 1034068463 /nfs/dbraw/zinc/06/84/63/1034068463.db2.gz FYYXAEVJFNYAMR-JQHSSLGASA-N 1 2 369.465 2.920 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C[C@@H]1O ZINC001220247517 1034068475 /nfs/dbraw/zinc/06/84/75/1034068475.db2.gz FYYXAEVJFNYAMR-JQHSSLGASA-N 1 2 369.465 2.920 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+]([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000831690662 1034213699 /nfs/dbraw/zinc/21/36/99/1034213699.db2.gz BKPOGSRQVLDVIH-QGZVFWFLSA-N 1 2 371.481 2.591 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C(C)C)n1 ZINC001225559865 1034308117 /nfs/dbraw/zinc/30/81/17/1034308117.db2.gz FOKOLRSLCUCKHN-HZPDHXFCSA-N 1 2 364.490 2.693 20 30 FFEDLO C=CCCn1cc(C(=O)N2CC[NH+]([C@@H](CC)c3ccc(F)cc3)CC2)nn1 ZINC000831867761 1034361349 /nfs/dbraw/zinc/36/13/49/1034361349.db2.gz FQHDPYSYUSLODT-IBGZPJMESA-N 1 2 371.460 2.902 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nccc4ccc(Br)cc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225751963 1034394505 /nfs/dbraw/zinc/39/45/05/1034394505.db2.gz VVMKDRHNSYDSBK-KNMAVKMESA-N 1 2 361.239 2.989 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nccc4ccc(Br)cc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225751963 1034394516 /nfs/dbraw/zinc/39/45/16/1034394516.db2.gz VVMKDRHNSYDSBK-KNMAVKMESA-N 1 2 361.239 2.989 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@@H]1O ZINC001220840948 1034422034 /nfs/dbraw/zinc/42/20/34/1034422034.db2.gz AGPWYLIJSYDIHU-MOPGFXCFSA-N 1 2 362.518 2.587 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@@H]1O ZINC001220840948 1034422043 /nfs/dbraw/zinc/42/20/43/1034422043.db2.gz AGPWYLIJSYDIHU-MOPGFXCFSA-N 1 2 362.518 2.587 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@@H]1O ZINC001220841173 1034423673 /nfs/dbraw/zinc/42/36/73/1034423673.db2.gz LZWAQGNLJUITPW-MSOLQXFVSA-N 1 2 351.491 2.785 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@@H]1O ZINC001220841173 1034423679 /nfs/dbraw/zinc/42/36/79/1034423679.db2.gz LZWAQGNLJUITPW-MSOLQXFVSA-N 1 2 351.491 2.785 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cnccn2)C[C@@H]1O ZINC001220841242 1034423794 /nfs/dbraw/zinc/42/37/94/1034423794.db2.gz PFVPMAKQXHWDFC-UHOSZYNNSA-N 1 2 362.518 2.840 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cnccn2)C[C@@H]1O ZINC001220841242 1034423800 /nfs/dbraw/zinc/42/38/00/1034423800.db2.gz PFVPMAKQXHWDFC-UHOSZYNNSA-N 1 2 362.518 2.840 20 30 FFEDLO CC(C)(C)CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001221038202 1034516401 /nfs/dbraw/zinc/51/64/01/1034516401.db2.gz DNBOWIAOXIZKNX-MOPGFXCFSA-N 1 2 356.510 2.662 20 30 FFEDLO CC(C)(C)CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001221038202 1034516402 /nfs/dbraw/zinc/51/64/02/1034516402.db2.gz DNBOWIAOXIZKNX-MOPGFXCFSA-N 1 2 356.510 2.662 20 30 FFEDLO Cc1cc(=O)[nH]c(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C#N ZINC001226222479 1034578436 /nfs/dbraw/zinc/57/84/36/1034578436.db2.gz CYASEAZEAXQORI-QGZVFWFLSA-N 1 2 353.422 2.637 20 30 FFEDLO Cc1cc(=O)[nH]c(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1C#N ZINC001226222479 1034578441 /nfs/dbraw/zinc/57/84/41/1034578441.db2.gz CYASEAZEAXQORI-QGZVFWFLSA-N 1 2 353.422 2.637 20 30 FFEDLO C=CCC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1O)c1ccccc1 ZINC001221199505 1034599251 /nfs/dbraw/zinc/59/92/51/1034599251.db2.gz YEFQWIIFXVVNBY-OTWHNJEPSA-N 1 2 371.506 2.554 20 30 FFEDLO C=CCC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1O)c1ccccc1 ZINC001221199505 1034599258 /nfs/dbraw/zinc/59/92/58/1034599258.db2.gz YEFQWIIFXVVNBY-OTWHNJEPSA-N 1 2 371.506 2.554 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)CCCCCC)C[C@H]21 ZINC001221430859 1034751881 /nfs/dbraw/zinc/75/18/81/1034751881.db2.gz RGRDLGLRDDJTIX-IPMKNSEASA-N 1 2 363.546 2.960 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@@H](C)CCCCCC)C[C@H]21 ZINC001221430859 1034751891 /nfs/dbraw/zinc/75/18/91/1034751891.db2.gz RGRDLGLRDDJTIX-IPMKNSEASA-N 1 2 363.546 2.960 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)sc3C)C[C@H]21 ZINC001221470958 1034797182 /nfs/dbraw/zinc/79/71/82/1034797182.db2.gz FNJUMJQBIZXRIK-SJLPKXTDSA-N 1 2 363.527 2.775 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)sc3C)C[C@H]21 ZINC001221470958 1034797194 /nfs/dbraw/zinc/79/71/94/1034797194.db2.gz FNJUMJQBIZXRIK-SJLPKXTDSA-N 1 2 363.527 2.775 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3CC)C[C@H]21 ZINC001221512668 1034831156 /nfs/dbraw/zinc/83/11/56/1034831156.db2.gz JYRWUNDYLVBCBH-UYAOXDASSA-N 1 2 367.493 2.524 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccccc3CC)C[C@H]21 ZINC001221512668 1034831168 /nfs/dbraw/zinc/83/11/68/1034831168.db2.gz JYRWUNDYLVBCBH-UYAOXDASSA-N 1 2 367.493 2.524 20 30 FFEDLO COCC1(CC(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)CC1 ZINC001221537559 1034854379 /nfs/dbraw/zinc/85/43/79/1034854379.db2.gz GOPDOWZUGAGOBI-IEBWSBKVSA-N 1 2 371.456 2.547 20 30 FFEDLO COCC1(CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)CC1 ZINC001221537559 1034854386 /nfs/dbraw/zinc/85/43/86/1034854386.db2.gz GOPDOWZUGAGOBI-IEBWSBKVSA-N 1 2 371.456 2.547 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1C[C@H]2CC[N@H+](Cc3ncc(C)s3)C[C@H]21)OCC ZINC001221586770 1034899131 /nfs/dbraw/zinc/89/91/31/1034899131.db2.gz QWILIXLZZQSPSW-ZACQAIPSSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1C[C@H]2CC[N@@H+](Cc3ncc(C)s3)C[C@H]21)OCC ZINC001221586770 1034899141 /nfs/dbraw/zinc/89/91/41/1034899141.db2.gz QWILIXLZZQSPSW-ZACQAIPSSA-N 1 2 363.527 2.856 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc4cc(Br)ccc4o3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227098345 1034934148 /nfs/dbraw/zinc/93/41/48/1034934148.db2.gz KKZKBLXKNNQKOH-LSVRBPJHSA-N 1 2 351.200 2.582 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc4cc(Br)ccc4o3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227098345 1034934152 /nfs/dbraw/zinc/93/41/52/1034934152.db2.gz KKZKBLXKNNQKOH-LSVRBPJHSA-N 1 2 351.200 2.582 20 30 FFEDLO CCC[C@@H](OCC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221752309 1035037610 /nfs/dbraw/zinc/03/76/10/1035037610.db2.gz NCEALBDOPUZDRH-VAMGGRTRSA-N 1 2 355.482 2.796 20 30 FFEDLO CCC[C@@H](OCC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221752309 1035037619 /nfs/dbraw/zinc/03/76/19/1035037619.db2.gz NCEALBDOPUZDRH-VAMGGRTRSA-N 1 2 355.482 2.796 20 30 FFEDLO CC(C)(C)OC(=O)n1cc(C[N@@H+]2CCNC(=O)CC2)c2cc(C#N)ccc21 ZINC001140438077 1035477447 /nfs/dbraw/zinc/47/74/47/1035477447.db2.gz LYDYEFVGHVRUPR-UHFFFAOYSA-N 1 2 368.437 2.618 20 30 FFEDLO CC(C)(C)OC(=O)n1cc(C[N@H+]2CCNC(=O)CC2)c2cc(C#N)ccc21 ZINC001140438077 1035477449 /nfs/dbraw/zinc/47/74/49/1035477449.db2.gz LYDYEFVGHVRUPR-UHFFFAOYSA-N 1 2 368.437 2.618 20 30 FFEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)cc1 ZINC000835056431 1035494484 /nfs/dbraw/zinc/49/44/84/1035494484.db2.gz GLUUPQJWHHFBBQ-LSDHHAIUSA-N 1 2 370.478 2.780 20 30 FFEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)cc1 ZINC000835056431 1035494490 /nfs/dbraw/zinc/49/44/90/1035494490.db2.gz GLUUPQJWHHFBBQ-LSDHHAIUSA-N 1 2 370.478 2.780 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2ccc(C#N)nc2)Cc2ncn(CC3CC3)c21 ZINC001140541224 1035594281 /nfs/dbraw/zinc/59/42/81/1035594281.db2.gz ABVGMCVGQFCWOY-QGZVFWFLSA-N 1 2 351.454 2.696 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C#N)nc2)Cc2ncn(CC3CC3)c21 ZINC001140541224 1035594288 /nfs/dbraw/zinc/59/42/88/1035594288.db2.gz ABVGMCVGQFCWOY-QGZVFWFLSA-N 1 2 351.454 2.696 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ccc(C#N)nc2)C2COC2)CC1 ZINC001140545397 1035603006 /nfs/dbraw/zinc/60/30/06/1035603006.db2.gz CMLPYXFXBNDQFY-UHFFFAOYSA-N 1 2 372.469 2.554 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ccc(C#N)nc2)C2COC2)CC1 ZINC001140545397 1035603018 /nfs/dbraw/zinc/60/30/18/1035603018.db2.gz CMLPYXFXBNDQFY-UHFFFAOYSA-N 1 2 372.469 2.554 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Br)c2N)C1 ZINC001232527964 1035778869 /nfs/dbraw/zinc/77/88/69/1035778869.db2.gz QQPLEFIPYCFEEB-ZDUSSCGKSA-N 1 2 368.275 2.908 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccc(Br)c2N)C1 ZINC001232527964 1035778874 /nfs/dbraw/zinc/77/88/74/1035778874.db2.gz QQPLEFIPYCFEEB-ZDUSSCGKSA-N 1 2 368.275 2.908 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cccc(F)c4)[C@@H]3C2)c1 ZINC001232677036 1035937355 /nfs/dbraw/zinc/93/73/55/1035937355.db2.gz XDZNNFPFYOWKTR-QFBILLFUSA-N 1 2 365.408 2.749 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@@H]3CCN(C(=O)c4cccc(F)c4)[C@@H]3C2)c1 ZINC001232677036 1035937358 /nfs/dbraw/zinc/93/73/58/1035937358.db2.gz XDZNNFPFYOWKTR-QFBILLFUSA-N 1 2 365.408 2.749 20 30 FFEDLO N#Cc1c(F)cc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1F ZINC001140750964 1036057699 /nfs/dbraw/zinc/05/76/99/1036057699.db2.gz FDFBNRYVKWZCHD-UHFFFAOYSA-N 1 2 371.387 2.883 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(OC)cc1C ZINC001232833080 1036086945 /nfs/dbraw/zinc/08/69/45/1036086945.db2.gz QZBDZPFYSBUHFX-UHFFFAOYSA-N 1 2 352.438 2.601 20 30 FFEDLO N#Cc1ccc(F)cc1CN1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001232891991 1036135212 /nfs/dbraw/zinc/13/52/12/1036135212.db2.gz XMQALOCVBZITQL-INIZCTEOSA-N 1 2 354.429 2.952 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(OC)cncc1OC ZINC001277757993 1036321817 /nfs/dbraw/zinc/32/18/17/1036321817.db2.gz ZMCGSOMRTUGLAG-FQEVSTJZSA-N 1 2 359.470 2.632 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(OC)cncc1OC ZINC001277757993 1036321837 /nfs/dbraw/zinc/32/18/37/1036321837.db2.gz ZMCGSOMRTUGLAG-FQEVSTJZSA-N 1 2 359.470 2.632 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3noc4ccc(Br)cc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228793069 1036328012 /nfs/dbraw/zinc/32/80/12/1036328012.db2.gz QQFXPPKQVCHTRK-LSVRBPJHSA-N 1 2 351.200 2.582 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3noc4ccc(Br)cc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228793069 1036328026 /nfs/dbraw/zinc/32/80/26/1036328026.db2.gz QQFXPPKQVCHTRK-LSVRBPJHSA-N 1 2 351.200 2.582 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C1 ZINC001233082448 1036334986 /nfs/dbraw/zinc/33/49/86/1036334986.db2.gz MYBNGKDINBLVGN-SFHVURJKSA-N 1 2 359.470 2.670 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C1 ZINC001233082448 1036335001 /nfs/dbraw/zinc/33/50/01/1036335001.db2.gz MYBNGKDINBLVGN-SFHVURJKSA-N 1 2 359.470 2.670 20 30 FFEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000328989651 1036476741 /nfs/dbraw/zinc/47/67/41/1036476741.db2.gz RWRQTNNDJCOKDT-BRWVUGGUSA-N 1 2 366.469 2.569 20 30 FFEDLO N#Cc1ccc([N+](=O)[O-])c(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001229189548 1036541201 /nfs/dbraw/zinc/54/12/01/1036541201.db2.gz YEXDPTDLENBXKP-KRWDZBQOSA-N 1 2 353.378 2.746 20 30 FFEDLO N#Cc1ccc([N+](=O)[O-])c(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001229189548 1036541212 /nfs/dbraw/zinc/54/12/12/1036541212.db2.gz YEXDPTDLENBXKP-KRWDZBQOSA-N 1 2 353.378 2.746 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cc(F)c(F)cc3N)C2)CC1 ZINC001233378219 1036578161 /nfs/dbraw/zinc/57/81/61/1036578161.db2.gz LCKAXIQWIPIGFU-UHFFFAOYSA-N 1 2 351.397 2.767 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccc3C(F)(F)F)CC2)c(O)c1 ZINC001233383346 1036582165 /nfs/dbraw/zinc/58/21/65/1036582165.db2.gz FCHATEXQJAGXSB-UHFFFAOYSA-N 1 2 362.355 3.000 20 30 FFEDLO CO[C@@H](C[NH+]1CCN(Cc2ccc(C#N)cc2O)CC1)c1ccccc1 ZINC001233387456 1036589660 /nfs/dbraw/zinc/58/96/60/1036589660.db2.gz KIUFSIBHVQHXTK-NRFANRHFSA-N 1 2 351.450 2.769 20 30 FFEDLO CO[C@@H](CN1CC[NH+](Cc2ccc(C#N)cc2O)CC1)c1ccccc1 ZINC001233387456 1036589663 /nfs/dbraw/zinc/58/96/63/1036589663.db2.gz KIUFSIBHVQHXTK-NRFANRHFSA-N 1 2 351.450 2.769 20 30 FFEDLO CC(=O)c1ccc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(C(N)=O)c1 ZINC001229336260 1036619506 /nfs/dbraw/zinc/61/95/06/1036619506.db2.gz RIHXHKUQWWQQCX-SFHVURJKSA-N 1 2 363.417 2.513 20 30 FFEDLO CC(=O)c1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(C(N)=O)c1 ZINC001229336260 1036619507 /nfs/dbraw/zinc/61/95/07/1036619507.db2.gz RIHXHKUQWWQQCX-SFHVURJKSA-N 1 2 363.417 2.513 20 30 FFEDLO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4cncc(Cl)n4)C3)CC2=O)c1 ZINC001233449068 1036631477 /nfs/dbraw/zinc/63/14/77/1036631477.db2.gz PEFCTYAIHGTSNN-LJQANCHMSA-N 1 2 367.840 2.631 20 30 FFEDLO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4cncc(Cl)n4)C3)CC2=O)c1 ZINC001233449068 1036631484 /nfs/dbraw/zinc/63/14/84/1036631484.db2.gz PEFCTYAIHGTSNN-LJQANCHMSA-N 1 2 367.840 2.631 20 30 FFEDLO COC(=O)c1cc(Cl)cc(Cl)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001229372505 1036636480 /nfs/dbraw/zinc/63/64/80/1036636480.db2.gz CTCGISFZBLMJAQ-QCRWRKDUSA-N 1 2 358.221 2.771 20 30 FFEDLO COC(=O)c1cc(Cl)cc(Cl)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001229372505 1036636484 /nfs/dbraw/zinc/63/64/84/1036636484.db2.gz CTCGISFZBLMJAQ-QCRWRKDUSA-N 1 2 358.221 2.771 20 30 FFEDLO Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C2)c1C ZINC001206949803 1036972838 /nfs/dbraw/zinc/97/28/38/1036972838.db2.gz QDWGJXPRUIXEOB-VQIMIIECSA-N 1 2 369.509 2.728 20 30 FFEDLO Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C2)c1C ZINC001206949803 1036972857 /nfs/dbraw/zinc/97/28/57/1036972857.db2.gz QDWGJXPRUIXEOB-VQIMIIECSA-N 1 2 369.509 2.728 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2noc3c2CC(C)(C)CC3)C[C@H]1NC(=O)C#CC1CC1 ZINC001206951721 1036973401 /nfs/dbraw/zinc/97/34/01/1036973401.db2.gz GNWRLNYSSKDNDB-RHSMWYFYSA-N 1 2 355.482 2.539 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2noc3c2CC(C)(C)CC3)C[C@H]1NC(=O)C#CC1CC1 ZINC001206951721 1036973408 /nfs/dbraw/zinc/97/34/08/1036973408.db2.gz GNWRLNYSSKDNDB-RHSMWYFYSA-N 1 2 355.482 2.539 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@@H+](Cc3cc4ccccc4cc3O)C[C@@]2(F)C1=O ZINC001277848920 1036995768 /nfs/dbraw/zinc/99/57/68/1036995768.db2.gz MLYKTNPVRZAPHF-VQTJNVASSA-N 1 2 358.388 2.806 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@H+](Cc3cc4ccccc4cc3O)C[C@@]2(F)C1=O ZINC001277848920 1036995782 /nfs/dbraw/zinc/99/57/82/1036995782.db2.gz MLYKTNPVRZAPHF-VQTJNVASSA-N 1 2 358.388 2.806 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc4c3CN(C(=O)OC(C)(C)C)C4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230041359 1037048591 /nfs/dbraw/zinc/04/85/91/1037048591.db2.gz MCLMFJIPWJZFMG-ACLLJPCYSA-N 1 2 372.465 2.929 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc4c3CN(C(=O)OC(C)(C)C)C4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230041359 1037048607 /nfs/dbraw/zinc/04/86/07/1037048607.db2.gz MCLMFJIPWJZFMG-ACLLJPCYSA-N 1 2 372.465 2.929 20 30 FFEDLO CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(C#N)c1F)C2 ZINC001276506285 1037123227 /nfs/dbraw/zinc/12/32/27/1037123227.db2.gz LTKMEESDQMHPHN-YWZLYKJASA-N 1 2 359.445 2.547 20 30 FFEDLO CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccc(C#N)c1F)C2 ZINC001276506285 1037123235 /nfs/dbraw/zinc/12/32/35/1037123235.db2.gz LTKMEESDQMHPHN-YWZLYKJASA-N 1 2 359.445 2.547 20 30 FFEDLO Cn1cc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)cc1C#N ZINC001207105001 1037150129 /nfs/dbraw/zinc/15/01/29/1037150129.db2.gz MJNNCAIBBCYTSO-SZVBFZGTSA-N 1 2 372.494 2.549 20 30 FFEDLO Cn1cc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)cc1C#N ZINC001207105001 1037150136 /nfs/dbraw/zinc/15/01/36/1037150136.db2.gz MJNNCAIBBCYTSO-SZVBFZGTSA-N 1 2 372.494 2.549 20 30 FFEDLO N#Cc1c(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)ncc2c1COCC2 ZINC001536735425 1070049598 /nfs/dbraw/zinc/04/95/98/1070049598.db2.gz CQBRZHXGQWPELT-UHFFFAOYSA-N 1 2 359.389 2.523 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(CC)cc2)C[C@H]1C ZINC001207216073 1037253901 /nfs/dbraw/zinc/25/39/01/1037253901.db2.gz VDWPFOJWHFZHQM-VQIMIIECSA-N 1 2 357.498 2.980 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(CC)cc2)C[C@H]1C ZINC001207216073 1037253912 /nfs/dbraw/zinc/25/39/12/1037253912.db2.gz VDWPFOJWHFZHQM-VQIMIIECSA-N 1 2 357.498 2.980 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001207239690 1037275639 /nfs/dbraw/zinc/27/56/39/1037275639.db2.gz JHQHUAMXFMOCAR-HIFRSBDPSA-N 1 2 352.500 2.908 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001207239690 1037275651 /nfs/dbraw/zinc/27/56/51/1037275651.db2.gz JHQHUAMXFMOCAR-HIFRSBDPSA-N 1 2 352.500 2.908 20 30 FFEDLO CC(C)N(C)C(=O)c1noc2c1C[N@H+](Cc1ccccc1CC#N)CC2 ZINC001235513866 1037597684 /nfs/dbraw/zinc/59/76/84/1037597684.db2.gz LJBZSUAQAWLRGX-UHFFFAOYSA-N 1 2 352.438 2.779 20 30 FFEDLO CC(C)N(C)C(=O)c1noc2c1C[N@@H+](Cc1ccccc1CC#N)CC2 ZINC001235513866 1037597701 /nfs/dbraw/zinc/59/77/01/1037597701.db2.gz LJBZSUAQAWLRGX-UHFFFAOYSA-N 1 2 352.438 2.779 20 30 FFEDLO COC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1CC#N ZINC001235514160 1037601410 /nfs/dbraw/zinc/60/14/10/1037601410.db2.gz IJTBGAAURKWXDY-SFHVURJKSA-N 1 2 359.470 2.820 20 30 FFEDLO COC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1CC#N ZINC001235514160 1037601420 /nfs/dbraw/zinc/60/14/20/1037601420.db2.gz IJTBGAAURKWXDY-SFHVURJKSA-N 1 2 359.470 2.820 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)c2ccncc2)C1 ZINC001207686921 1037656877 /nfs/dbraw/zinc/65/68/77/1037656877.db2.gz SERIGTSZPOZHIE-XJKCOSOUSA-N 1 2 366.303 2.920 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)c2ccncc2)C1 ZINC001207686921 1037656884 /nfs/dbraw/zinc/65/68/84/1037656884.db2.gz SERIGTSZPOZHIE-XJKCOSOUSA-N 1 2 366.303 2.920 20 30 FFEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccc(O)c(OC(F)(F)F)c2)CC1 ZINC001235672626 1037674467 /nfs/dbraw/zinc/67/44/67/1037674467.db2.gz LQGLSPIXKLOQGW-UHFFFAOYSA-N 1 2 372.343 2.960 20 30 FFEDLO COC(=O)c1ccccc1N1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC001231619983 1037743701 /nfs/dbraw/zinc/74/37/01/1037743701.db2.gz NJSHGPHAJGPFNU-UHFFFAOYSA-N 1 2 365.433 2.676 20 30 FFEDLO C=CCOc1cccc(C[N@H+]2Cc3nccn3C[C@@H](Cn3cccn3)C2)c1 ZINC001231623249 1037747341 /nfs/dbraw/zinc/74/73/41/1037747341.db2.gz YTAJYUJBFPSRFS-IBGZPJMESA-N 1 2 363.465 2.977 20 30 FFEDLO C=CCOc1cccc(C[N@@H+]2Cc3nccn3C[C@@H](Cn3cccn3)C2)c1 ZINC001231623249 1037747356 /nfs/dbraw/zinc/74/73/56/1037747356.db2.gz YTAJYUJBFPSRFS-IBGZPJMESA-N 1 2 363.465 2.977 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001208128861 1038070964 /nfs/dbraw/zinc/07/09/64/1038070964.db2.gz JMQMOHHMVZBEMQ-KKVAFCGZSA-N 1 2 361.486 2.717 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001208128861 1038070989 /nfs/dbraw/zinc/07/09/89/1038070989.db2.gz JMQMOHHMVZBEMQ-KKVAFCGZSA-N 1 2 361.486 2.717 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nc(Cl)ccc1F ZINC001277615621 1038181290 /nfs/dbraw/zinc/18/12/90/1038181290.db2.gz MDPITFFABHXWJJ-HUUCEWRRSA-N 1 2 350.825 2.743 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nc(Cl)ccc1F ZINC001277615621 1038181295 /nfs/dbraw/zinc/18/12/95/1038181295.db2.gz MDPITFFABHXWJJ-HUUCEWRRSA-N 1 2 350.825 2.743 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001208309067 1038202573 /nfs/dbraw/zinc/20/25/73/1038202573.db2.gz BNFJGLPFCMDQNT-JFIYKMOQSA-N 1 2 367.497 2.977 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001208309067 1038202586 /nfs/dbraw/zinc/20/25/86/1038202586.db2.gz BNFJGLPFCMDQNT-JFIYKMOQSA-N 1 2 367.497 2.977 20 30 FFEDLO C=CCCOc1ccc(C(=O)N2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)cc1 ZINC001278898090 1038267853 /nfs/dbraw/zinc/26/78/53/1038267853.db2.gz NPARQIQJSYMUEN-UHFFFAOYSA-N 1 2 351.450 2.928 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001208390722 1038276955 /nfs/dbraw/zinc/27/69/55/1038276955.db2.gz AYCXAORLOAMLPT-MBOZVWFJSA-N 1 2 367.497 2.806 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001208390722 1038276968 /nfs/dbraw/zinc/27/69/68/1038276968.db2.gz AYCXAORLOAMLPT-MBOZVWFJSA-N 1 2 367.497 2.806 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(F)(F)C(F)F)C1 ZINC001208605349 1038440649 /nfs/dbraw/zinc/44/06/49/1038440649.db2.gz SWMCZLWJSZKHIG-VXNVDRBHSA-N 1 2 361.177 2.622 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(F)(F)C(F)F)C1 ZINC001208605349 1038440653 /nfs/dbraw/zinc/44/06/53/1038440653.db2.gz SWMCZLWJSZKHIG-VXNVDRBHSA-N 1 2 361.177 2.622 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1COCC[N@@H+]1CCCc1cccc(C#N)c1 ZINC001208851275 1038555189 /nfs/dbraw/zinc/55/51/89/1038555189.db2.gz VGYFIFWUFWNPSX-SFHVURJKSA-N 1 2 359.470 2.716 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1COCC[N@H+]1CCCc1cccc(C#N)c1 ZINC001208851275 1038555198 /nfs/dbraw/zinc/55/51/98/1038555198.db2.gz VGYFIFWUFWNPSX-SFHVURJKSA-N 1 2 359.470 2.716 20 30 FFEDLO N#Cc1ccccc1/C=C\C(=O)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001279028618 1038896438 /nfs/dbraw/zinc/89/64/38/1038896438.db2.gz PJTFVDQPQAIETM-YMPRQMOJSA-N 1 2 373.456 2.683 20 30 FFEDLO N#Cc1ccccc1/C=C\C(=O)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001279028618 1038896462 /nfs/dbraw/zinc/89/64/62/1038896462.db2.gz PJTFVDQPQAIETM-YMPRQMOJSA-N 1 2 373.456 2.683 20 30 FFEDLO C[C@H]1COCC[N@@H+]1CCNC(=S)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001245802513 1039120734 /nfs/dbraw/zinc/12/07/34/1039120734.db2.gz SZTDEOQHZRESHJ-NSHDSACASA-N 1 2 372.416 2.584 20 30 FFEDLO C[C@H]1COCC[N@H+]1CCNC(=S)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001245802513 1039120742 /nfs/dbraw/zinc/12/07/42/1039120742.db2.gz SZTDEOQHZRESHJ-NSHDSACASA-N 1 2 372.416 2.584 20 30 FFEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC001258095695 1039170956 /nfs/dbraw/zinc/17/09/56/1039170956.db2.gz GGJWBDWAXJSJRT-UHFFFAOYSA-N 1 2 352.419 2.565 20 30 FFEDLO COc1cc(C)c(CN2CC[NH2+]C[C@@H]2C#N)cc1OCc1ccccc1 ZINC001210123119 1039393690 /nfs/dbraw/zinc/39/36/90/1039393690.db2.gz YWZCVHCIAOQDOZ-IBGZPJMESA-N 1 2 351.450 2.880 20 30 FFEDLO CC(C)(C)c1ccc(-c2noc([C@H](Cc3c[nH]c[nH+]3)NC=O)n2)c(C#N)c1 ZINC001247269118 1039683333 /nfs/dbraw/zinc/68/33/33/1039683333.db2.gz KMLRIHFYWSRRGQ-INIZCTEOSA-N 1 2 364.409 2.659 20 30 FFEDLO CC(C)(C)c1ccc(-c2noc([C@H](Cc3c[nH+]c[nH]3)NC=O)n2)c(C#N)c1 ZINC001247269118 1039683339 /nfs/dbraw/zinc/68/33/39/1039683339.db2.gz KMLRIHFYWSRRGQ-INIZCTEOSA-N 1 2 364.409 2.659 20 30 FFEDLO C=CCCCNC(=S)N1Cc2c[nH+]cn2C[C@@H](COc2ccccn2)C1 ZINC001247729224 1039919389 /nfs/dbraw/zinc/91/93/89/1039919389.db2.gz GFESMBGLBWFYCE-INIZCTEOSA-N 1 2 371.510 2.630 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2csc(CCC)n2)C[C@H]1C ZINC001211424743 1040182329 /nfs/dbraw/zinc/18/23/29/1040182329.db2.gz DDKNVAGPGMINFB-IIAWOOMASA-N 1 2 351.516 2.623 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2csc(CCC)n2)C[C@H]1C ZINC001211424743 1040182332 /nfs/dbraw/zinc/18/23/32/1040182332.db2.gz DDKNVAGPGMINFB-IIAWOOMASA-N 1 2 351.516 2.623 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2OC)CCC1 ZINC001213309174 1040432088 /nfs/dbraw/zinc/43/20/88/1040432088.db2.gz PCWJTWXRTIZMNF-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2OC)CCC1 ZINC001213309174 1040432100 /nfs/dbraw/zinc/43/21/00/1040432100.db2.gz PCWJTWXRTIZMNF-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)c(C)s2)C[C@H]1OC ZINC001213317231 1040441072 /nfs/dbraw/zinc/44/10/72/1040441072.db2.gz AWZRCUGQWADRCA-APHBMKBZSA-N 1 2 351.516 2.678 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2nc(C)c(C)s2)C[C@H]1OC ZINC001213317231 1040441086 /nfs/dbraw/zinc/44/10/86/1040441086.db2.gz AWZRCUGQWADRCA-APHBMKBZSA-N 1 2 351.516 2.678 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccnc(SC(C)C)n2)C1 ZINC001248834400 1040459765 /nfs/dbraw/zinc/45/97/65/1040459765.db2.gz UMRLVDBGFSPODP-CQSZACIVSA-N 1 2 350.488 2.854 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccnc(SC(C)C)n2)C1 ZINC001248834400 1040459773 /nfs/dbraw/zinc/45/97/73/1040459773.db2.gz UMRLVDBGFSPODP-CQSZACIVSA-N 1 2 350.488 2.854 20 30 FFEDLO C=CCOC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCCOC1 ZINC001254369136 1040685702 /nfs/dbraw/zinc/68/57/02/1040685702.db2.gz YERGXZALMUVVCT-CVEARBPZSA-N 1 2 370.490 2.548 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+](Cc3nc(Br)oc3C)C2)C1=O ZINC001249387437 1040710275 /nfs/dbraw/zinc/71/02/75/1040710275.db2.gz CMEIODSBDCSNFC-INIZCTEOSA-N 1 2 368.275 2.746 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+](Cc3nc(Br)oc3C)C2)C1=O ZINC001249387437 1040710290 /nfs/dbraw/zinc/71/02/90/1040710290.db2.gz CMEIODSBDCSNFC-INIZCTEOSA-N 1 2 368.275 2.746 20 30 FFEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1)C(=O)OCC ZINC001254765277 1040938332 /nfs/dbraw/zinc/93/83/32/1040938332.db2.gz RKUIXPQWZGVUJH-QEEYODRMSA-N 1 2 364.486 2.873 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@H+]3Cc2cc(Cl)ccc2O)cc1C#N ZINC001278569406 1041211300 /nfs/dbraw/zinc/21/13/00/1041211300.db2.gz XHAKSIAIAAAXPN-HDICACEKSA-N 1 2 356.857 2.714 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+]3Cc2cc(Cl)ccc2O)cc1C#N ZINC001278569406 1041211312 /nfs/dbraw/zinc/21/13/12/1041211312.db2.gz XHAKSIAIAAAXPN-HDICACEKSA-N 1 2 356.857 2.714 20 30 FFEDLO C=C(C)CN1c2ccccc2C2(CC[NH+](Cc3nnc(C)o3)CC2)C1=O ZINC001276710989 1041408275 /nfs/dbraw/zinc/40/82/75/1041408275.db2.gz AAFCMZFPBKZALO-UHFFFAOYSA-N 1 2 352.438 2.835 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CC[C@@H](c2ccccc2C)C1 ZINC001262947427 1041982053 /nfs/dbraw/zinc/98/20/53/1041982053.db2.gz LSJTWTCLWHOHRL-LMMKCTJWSA-N 1 2 367.497 2.504 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CC[C@@H](c2ccccc2C)C1 ZINC001262947427 1041982058 /nfs/dbraw/zinc/98/20/58/1041982058.db2.gz LSJTWTCLWHOHRL-LMMKCTJWSA-N 1 2 367.497 2.504 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCCC2(CCOCC2)C1 ZINC001262952469 1041985233 /nfs/dbraw/zinc/98/52/33/1041985233.db2.gz UFAQMUASGNUNTN-UHFFFAOYSA-N 1 2 359.518 2.847 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1nccs1 ZINC001262977584 1042003763 /nfs/dbraw/zinc/00/37/63/1042003763.db2.gz JKJMWASOOJNUBK-UHFFFAOYSA-N 1 2 371.514 2.650 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H]2CSC[C@@H]2C1 ZINC001263024734 1042042856 /nfs/dbraw/zinc/04/28/56/1042042856.db2.gz HLTGJXJHWDYKFK-SJORKVTESA-N 1 2 374.558 2.580 20 30 FFEDLO C=CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1)c1ccccc1 ZINC001216806164 1042127420 /nfs/dbraw/zinc/12/74/20/1042127420.db2.gz DRIZXHWSRRJGSZ-ZTFGCOKTSA-N 1 2 356.495 2.835 20 30 FFEDLO CCCCCCCC[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001216806267 1042128322 /nfs/dbraw/zinc/12/83/22/1042128322.db2.gz IPDFROQWWCSMPH-GVDBMIGSSA-N 1 2 364.538 2.533 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1cc(C)on1 ZINC001263343910 1042251275 /nfs/dbraw/zinc/25/12/75/1042251275.db2.gz NFQBHVSQXGTXAW-QGZVFWFLSA-N 1 2 374.489 2.569 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1cc(C)on1 ZINC001263343910 1042251281 /nfs/dbraw/zinc/25/12/81/1042251281.db2.gz NFQBHVSQXGTXAW-QGZVFWFLSA-N 1 2 374.489 2.569 20 30 FFEDLO CO[C@H]1CC[C@H]1N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC(C)C ZINC001263418942 1042296332 /nfs/dbraw/zinc/29/63/32/1042296332.db2.gz XDWBLCCTCFOFIS-MSOLQXFVSA-N 1 2 374.533 2.641 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CCCC(C)=O)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001264045674 1042594765 /nfs/dbraw/zinc/59/47/65/1042594765.db2.gz LDRVJCVOEJTUQW-RBUKOAKNSA-N 1 2 359.445 2.926 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CCCC(C)=O)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001264045674 1042594769 /nfs/dbraw/zinc/59/47/69/1042594769.db2.gz LDRVJCVOEJTUQW-RBUKOAKNSA-N 1 2 359.445 2.926 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001264374519 1042667525 /nfs/dbraw/zinc/66/75/25/1042667525.db2.gz IWASFWOIKYWMCH-GBESFXJTSA-N 1 2 360.885 2.626 20 30 FFEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001264374519 1042667527 /nfs/dbraw/zinc/66/75/27/1042667527.db2.gz IWASFWOIKYWMCH-GBESFXJTSA-N 1 2 360.885 2.626 20 30 FFEDLO C#CCCCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1noc(-c2ccoc2)n1 ZINC001264548618 1042709947 /nfs/dbraw/zinc/70/99/47/1042709947.db2.gz VKICOBXWEFDWSO-WBVHZDCISA-N 1 2 370.453 2.850 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)CSCC#N)CC[N@@H+]1Cc1nsc2ccccc12 ZINC001264690280 1042780267 /nfs/dbraw/zinc/78/02/67/1042780267.db2.gz YVSGQKISPIIVFV-OCCSQVGLSA-N 1 2 360.508 2.632 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)CSCC#N)CC[N@H+]1Cc1nsc2ccccc12 ZINC001264690280 1042780271 /nfs/dbraw/zinc/78/02/71/1042780271.db2.gz YVSGQKISPIIVFV-OCCSQVGLSA-N 1 2 360.508 2.632 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(Cc4nc5c(s4)CCCC5)C3)C2)cc1C#N ZINC001279289208 1042985048 /nfs/dbraw/zinc/98/50/48/1042985048.db2.gz DGWFZVCWFVLTCF-UHFFFAOYSA-N 1 2 367.522 2.550 20 30 FFEDLO CCn1ccnc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(F)c(C#N)c(F)c1 ZINC001279311831 1042995417 /nfs/dbraw/zinc/99/54/17/1042995417.db2.gz DIRHQWMLWVWIQY-GASCZTMLSA-N 1 2 357.408 2.512 20 30 FFEDLO CCn1ccnc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(F)c(C#N)c(F)c1 ZINC001279311831 1042995420 /nfs/dbraw/zinc/99/54/20/1042995420.db2.gz DIRHQWMLWVWIQY-GASCZTMLSA-N 1 2 357.408 2.512 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2cn(C)c3ccc(C#N)cc23)Cc2c1cnn2C ZINC001237468958 1043184835 /nfs/dbraw/zinc/18/48/35/1043184835.db2.gz REPHYOSEQBZKFP-KRWDZBQOSA-N 1 2 363.465 2.919 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)Cc2c1cnn2C ZINC001237468958 1043184845 /nfs/dbraw/zinc/18/48/45/1043184845.db2.gz REPHYOSEQBZKFP-KRWDZBQOSA-N 1 2 363.465 2.919 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3cn4cc(C#N)ccc4n3)C[C@@H]21 ZINC001237604849 1043264967 /nfs/dbraw/zinc/26/49/67/1043264967.db2.gz SMZJIOLEFKLWHY-RDJZCZTQSA-N 1 2 367.453 2.647 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3cn4cc(C#N)ccc4n3)C[C@@H]21 ZINC001237604849 1043264975 /nfs/dbraw/zinc/26/49/75/1043264975.db2.gz SMZJIOLEFKLWHY-RDJZCZTQSA-N 1 2 367.453 2.647 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2cn3cc(C#N)ccc3n2)Cc2cnn(CC)c21 ZINC001237605783 1043265824 /nfs/dbraw/zinc/26/58/24/1043265824.db2.gz KBXQENQCTRIZNP-KRWDZBQOSA-N 1 2 364.453 2.558 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2cn3cc(C#N)ccc3n2)Cc2cnn(CC)c21 ZINC001237605783 1043265834 /nfs/dbraw/zinc/26/58/34/1043265834.db2.gz KBXQENQCTRIZNP-KRWDZBQOSA-N 1 2 364.453 2.558 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237752824 1043342012 /nfs/dbraw/zinc/34/20/12/1043342012.db2.gz ABEVGGCPBZLTDR-JKSUJKDBSA-N 1 2 365.861 2.672 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237752824 1043342021 /nfs/dbraw/zinc/34/20/21/1043342021.db2.gz ABEVGGCPBZLTDR-JKSUJKDBSA-N 1 2 365.861 2.672 20 30 FFEDLO COc1ccc(Cl)c(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c1 ZINC001279659075 1043416612 /nfs/dbraw/zinc/41/66/12/1043416612.db2.gz BIXXSFQFKRPCDQ-UHFFFAOYSA-N 1 2 370.884 2.877 20 30 FFEDLO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@H+]3Cc2ccc(C#N)cc2C)CCC1 ZINC001279696653 1043485160 /nfs/dbraw/zinc/48/51/60/1043485160.db2.gz CZZFISMGEOTGEN-KDURUIRLSA-N 1 2 353.466 2.611 20 30 FFEDLO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@@H+]3Cc2ccc(C#N)cc2C)CCC1 ZINC001279696653 1043485167 /nfs/dbraw/zinc/48/51/67/1043485167.db2.gz CZZFISMGEOTGEN-KDURUIRLSA-N 1 2 353.466 2.611 20 30 FFEDLO N#Cc1cccc(CS(=O)(=O)NCCn2c[nH+]cc2-c2ccccc2)c1 ZINC001309725288 1043497822 /nfs/dbraw/zinc/49/78/22/1043497822.db2.gz LUPOVJUMHOKQQL-UHFFFAOYSA-N 1 2 366.446 2.541 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)ccc1Cl ZINC001238191066 1043599905 /nfs/dbraw/zinc/59/99/05/1043599905.db2.gz ICSFOAYVDQXEIW-RTBURBONSA-N 1 2 366.852 2.982 20 30 FFEDLO N#Cc1cc(C[N@H+]2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)ccc1Cl ZINC001238191066 1043599909 /nfs/dbraw/zinc/59/99/09/1043599909.db2.gz ICSFOAYVDQXEIW-RTBURBONSA-N 1 2 366.852 2.982 20 30 FFEDLO Cc1cc(C)c(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(C)[nH+]1 ZINC001310835615 1043751200 /nfs/dbraw/zinc/75/12/00/1043751200.db2.gz XYHLYGRRBMFQAB-HUUCEWRRSA-N 1 2 373.457 2.887 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H](C)c1nc(COC)no1 ZINC001316698603 1043800540 /nfs/dbraw/zinc/80/05/40/1043800540.db2.gz FIHLIZNPSAMZCU-PMPSAXMXSA-N 1 2 364.490 2.850 20 30 FFEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2C[N@@H+](Cc2c(Cl)cncc2Cl)C3)CCC1 ZINC001279956983 1043982280 /nfs/dbraw/zinc/98/22/80/1043982280.db2.gz GHWFQHGPOXXVDG-PIGZYNQJSA-N 1 2 365.264 2.773 20 30 FFEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2C[N@H+](Cc2c(Cl)cncc2Cl)C3)CCC1 ZINC001279956983 1043982284 /nfs/dbraw/zinc/98/22/84/1043982284.db2.gz GHWFQHGPOXXVDG-PIGZYNQJSA-N 1 2 365.264 2.773 20 30 FFEDLO C[C@@H]1c2nc(C(=O)NC3(C#N)CCC3)cn2CC[N@H+]1C[C@@H]1CC=CCC1 ZINC001280236641 1044445946 /nfs/dbraw/zinc/44/59/46/1044445946.db2.gz KTPROABLPVUQEU-HZPDHXFCSA-N 1 2 353.470 2.792 20 30 FFEDLO C[C@@H]1c2nc(C(=O)NC3(C#N)CCC3)cn2CC[N@@H+]1C[C@@H]1CC=CCC1 ZINC001280236641 1044445948 /nfs/dbraw/zinc/44/59/48/1044445948.db2.gz KTPROABLPVUQEU-HZPDHXFCSA-N 1 2 353.470 2.792 20 30 FFEDLO Cc1ccc(C#N)c(NC(=O)[C@H]2CC23C[NH+](Cc2cccc(F)n2)C3)c1 ZINC001280322110 1044602395 /nfs/dbraw/zinc/60/23/95/1044602395.db2.gz ZVOPEPHJVSLSNT-MRXNPFEDSA-N 1 2 350.397 2.861 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3CCN(C(=O)C[C@@H](C)n4cc[nH+]c4)[C@@H]3C2)CCC1 ZINC001281616484 1044968077 /nfs/dbraw/zinc/96/80/77/1044968077.db2.gz IRYRRWCVUSISCB-FGTMMUONSA-N 1 2 370.497 2.640 20 30 FFEDLO C#CCN(CC)c1nnc(CC)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001539370409 1070624536 /nfs/dbraw/zinc/62/45/36/1070624536.db2.gz BUGWIQHMPXJWKF-UHFFFAOYSA-N 1 2 352.417 2.673 20 30 FFEDLO N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)CC2=O)cc1 ZINC001318036206 1045197469 /nfs/dbraw/zinc/19/74/69/1045197469.db2.gz PLCRINQACCLTHL-INIZCTEOSA-N 1 2 371.400 2.736 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C/C=C/CC)CC1 ZINC001539441705 1070637968 /nfs/dbraw/zinc/63/79/68/1070637968.db2.gz UOYUYVAARZTVIZ-AATRIKPKSA-N 1 2 360.465 2.538 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2CCCCCOC)CC1 ZINC001539440949 1070638318 /nfs/dbraw/zinc/63/83/18/1070638318.db2.gz FQDRPWMKFVZZOL-UHFFFAOYSA-N 1 2 367.497 2.517 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2Cc2cc(F)ccc2SC)CC1 ZINC001539452845 1070640725 /nfs/dbraw/zinc/64/07/25/1070640725.db2.gz ZZZORSRDMIFNQS-UHFFFAOYSA-N 1 2 373.501 2.505 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](CC(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC001320039330 1045334908 /nfs/dbraw/zinc/33/49/08/1045334908.db2.gz ITGVDAPIPMXQSJ-WMZOPIPTSA-N 1 2 357.479 2.626 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC001320039330 1045334913 /nfs/dbraw/zinc/33/49/13/1045334913.db2.gz ITGVDAPIPMXQSJ-WMZOPIPTSA-N 1 2 357.479 2.626 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC001282211152 1045423632 /nfs/dbraw/zinc/42/36/32/1045423632.db2.gz NQCLXYZNXBEZAL-SQNIBIBYSA-N 1 2 360.502 2.619 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC001323968492 1045794962 /nfs/dbraw/zinc/79/49/62/1045794962.db2.gz XARAXNCMCPJSSW-AWEZNQCLSA-N 1 2 363.259 2.807 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC001323968492 1045794973 /nfs/dbraw/zinc/79/49/73/1045794973.db2.gz XARAXNCMCPJSSW-AWEZNQCLSA-N 1 2 363.259 2.807 20 30 FFEDLO C=CC1CCN(c2nnc(CC(C)C)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001539890619 1070721358 /nfs/dbraw/zinc/72/13/58/1070721358.db2.gz QSJLPXQQWNOPHZ-QGZVFWFLSA-N 1 2 361.534 2.600 20 30 FFEDLO C=CC1CCN(c2nnc(CC(C)C)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001539890619 1070721372 /nfs/dbraw/zinc/72/13/72/1070721372.db2.gz QSJLPXQQWNOPHZ-QGZVFWFLSA-N 1 2 361.534 2.600 20 30 FFEDLO C=CCCCn1c(-c2ccccc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001539990180 1070738381 /nfs/dbraw/zinc/73/83/81/1070738381.db2.gz GAJIOPIUKKLUQK-UHFFFAOYSA-N 1 2 355.486 2.680 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)C1 ZINC001324710486 1046181230 /nfs/dbraw/zinc/18/12/30/1046181230.db2.gz LORFDGLEIUQNPY-KKSFZXQISA-N 1 2 369.465 2.878 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3)C2)CCCC1 ZINC001282815573 1046253217 /nfs/dbraw/zinc/25/32/17/1046253217.db2.gz LFBMRJXRBJSZHZ-UWJYYQICSA-N 1 2 370.497 2.517 20 30 FFEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC001325294522 1046455497 /nfs/dbraw/zinc/45/54/97/1046455497.db2.gz VGSYCRKZEPIKFF-VQTJNVASSA-N 1 2 350.462 2.682 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001287358514 1047252656 /nfs/dbraw/zinc/25/26/56/1047252656.db2.gz BJHSQZMEGVGOGV-HZPDHXFCSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001287358514 1047252675 /nfs/dbraw/zinc/25/26/75/1047252675.db2.gz BJHSQZMEGVGOGV-HZPDHXFCSA-N 1 2 358.486 2.565 20 30 FFEDLO CC[C@H]1[C@@H](C)CCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CCOC ZINC001341570837 1050197858 /nfs/dbraw/zinc/19/78/58/1050197858.db2.gz JCXSDXIZMWWUSF-WMZOPIPTSA-N 1 2 374.533 2.642 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001340194551 1050603278 /nfs/dbraw/zinc/60/32/78/1050603278.db2.gz BWJPLDSDHHISDB-XDNAFOTISA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001340194551 1050603284 /nfs/dbraw/zinc/60/32/84/1050603284.db2.gz BWJPLDSDHHISDB-XDNAFOTISA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@H](Cc2nccs2)C1 ZINC001342101311 1050696117 /nfs/dbraw/zinc/69/61/17/1050696117.db2.gz ZEMXZDPPQRPEJQ-INIZCTEOSA-N 1 2 372.542 2.976 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](C)[C@H](F)C1 ZINC001342307197 1050902403 /nfs/dbraw/zinc/90/24/03/1050902403.db2.gz ZJSBYTWOSWTOPB-NVXWUHKLSA-N 1 2 360.481 2.741 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001340526156 1050918203 /nfs/dbraw/zinc/91/82/03/1050918203.db2.gz MRXKURXNHMRBMA-DLBZAZTESA-N 1 2 360.502 2.956 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C(C)(C)C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001340573896 1050960349 /nfs/dbraw/zinc/96/03/49/1050960349.db2.gz ZUKLXUKPHYNGEW-TWOQFEAHSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C(C)(C)C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001340573896 1050960359 /nfs/dbraw/zinc/96/03/59/1050960359.db2.gz ZUKLXUKPHYNGEW-TWOQFEAHSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccccc2C)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001342383609 1050977290 /nfs/dbraw/zinc/97/72/90/1050977290.db2.gz FLWQPLQIRXPTCX-LZJOCLMNSA-N 1 2 369.513 2.882 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccccc2C)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001342383609 1050977298 /nfs/dbraw/zinc/97/72/98/1050977298.db2.gz FLWQPLQIRXPTCX-LZJOCLMNSA-N 1 2 369.513 2.882 20 30 FFEDLO C=C(C)CN(CC)c1nnc([C@@H]2C[C@H](O)C[N@@H+]2C)n1CCc1ccccc1 ZINC001342402564 1050996947 /nfs/dbraw/zinc/99/69/47/1050996947.db2.gz ZFRJRSLURIGRSM-OALUTQOASA-N 1 2 369.513 2.661 20 30 FFEDLO C=C(C)CN(CC)c1nnc([C@@H]2C[C@H](O)C[N@H+]2C)n1CCc1ccccc1 ZINC001342402564 1050996957 /nfs/dbraw/zinc/99/69/57/1050996957.db2.gz ZFRJRSLURIGRSM-OALUTQOASA-N 1 2 369.513 2.661 20 30 FFEDLO CCOCCCn1c(C[NH+]2CCCCC2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC001342460707 1051059487 /nfs/dbraw/zinc/05/94/87/1051059487.db2.gz YQAIIUQXSBUOLC-ROUUACIJSA-N 1 2 374.533 2.819 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCc2cc(CC)ccc2C1 ZINC001340734191 1051092950 /nfs/dbraw/zinc/09/29/50/1051092950.db2.gz ZOSBSLFPIIZAHC-UHFFFAOYSA-N 1 2 362.481 2.914 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](CC)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001342521769 1051125154 /nfs/dbraw/zinc/12/51/54/1051125154.db2.gz IDYRNUDNIDVADN-QKLQHJQFSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](CC)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001342521769 1051125158 /nfs/dbraw/zinc/12/51/58/1051125158.db2.gz IDYRNUDNIDVADN-QKLQHJQFSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001342671351 1051279814 /nfs/dbraw/zinc/27/98/14/1051279814.db2.gz BKCAFTLERMMGGH-WMZOPIPTSA-N 1 2 369.517 2.738 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001342671351 1051279824 /nfs/dbraw/zinc/27/98/24/1051279824.db2.gz BKCAFTLERMMGGH-WMZOPIPTSA-N 1 2 369.517 2.738 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCOC(C)(C)C1 ZINC001342675266 1051285993 /nfs/dbraw/zinc/28/59/93/1051285993.db2.gz SCCDYCSFOJQSQF-UHFFFAOYSA-N 1 2 372.517 2.562 20 30 FFEDLO C=CCN(C)c1nnc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1Cc1ccccc1 ZINC001341115956 1051464526 /nfs/dbraw/zinc/46/45/26/1051464526.db2.gz ZTGCXTDAQDVNFM-RTBURBONSA-N 1 2 367.497 2.874 20 30 FFEDLO C=CCN(C)c1nnc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)n1Cc1ccccc1 ZINC001341115956 1051464530 /nfs/dbraw/zinc/46/45/30/1051464530.db2.gz ZTGCXTDAQDVNFM-RTBURBONSA-N 1 2 367.497 2.874 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3C[N@H+](C(C)C)CCO3)n2CC(=C)C)C1 ZINC001343007800 1051622886 /nfs/dbraw/zinc/62/28/86/1051622886.db2.gz UUVVVDFQSXMSKY-RTBURBONSA-N 1 2 371.529 2.876 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3C[N@@H+](C(C)C)CCO3)n2CC(=C)C)C1 ZINC001343007800 1051622893 /nfs/dbraw/zinc/62/28/93/1051622893.db2.gz UUVVVDFQSXMSKY-RTBURBONSA-N 1 2 371.529 2.876 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC(=C)CC1 ZINC001343780654 1052415767 /nfs/dbraw/zinc/41/57/67/1052415767.db2.gz QYZNYOGYEJIJRY-ROUUACIJSA-N 1 2 357.502 2.936 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC(=C)CC1 ZINC001343780654 1052415771 /nfs/dbraw/zinc/41/57/71/1052415771.db2.gz QYZNYOGYEJIJRY-ROUUACIJSA-N 1 2 357.502 2.936 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[C@H](C#N)c3nccn3C)cc2)C[C@H](C)O1 ZINC001343853177 1052453271 /nfs/dbraw/zinc/45/32/71/1052453271.db2.gz QIPKQZUIOFQBJX-DAYGRLMNSA-N 1 2 352.438 2.519 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C(=O)[C@H](C#N)c3nccn3C)cc2)C[C@H](C)O1 ZINC001343853177 1052453273 /nfs/dbraw/zinc/45/32/73/1052453273.db2.gz QIPKQZUIOFQBJX-DAYGRLMNSA-N 1 2 352.438 2.519 20 30 FFEDLO C#C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc(F)cc1 ZINC001308787730 1052500178 /nfs/dbraw/zinc/50/01/78/1052500178.db2.gz XXNAGFSIZSSSPZ-HNNXBMFYSA-N 1 2 352.818 2.591 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc(C[NH+]2CCCCC2)n1C[C@@H]1CCCCO1 ZINC001345587962 1052525230 /nfs/dbraw/zinc/52/52/30/1052525230.db2.gz VUUBRSHSUIXWAE-OALUTQOASA-N 1 2 371.529 2.825 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1 ZINC001344068994 1052577682 /nfs/dbraw/zinc/57/76/82/1052577682.db2.gz QLPPXDKLVRCDCA-GOSISDBHSA-N 1 2 350.470 2.833 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1 ZINC001344068994 1052577689 /nfs/dbraw/zinc/57/76/89/1052577689.db2.gz QLPPXDKLVRCDCA-GOSISDBHSA-N 1 2 350.470 2.833 20 30 FFEDLO C#CCCCCC(=O)NC[C@@H]1CCCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001334876658 1053128469 /nfs/dbraw/zinc/12/84/69/1053128469.db2.gz DFDIGLWFNJTSGK-RCCFBDPRSA-N 1 2 370.497 2.594 20 30 FFEDLO C#CCCCCC(=O)NC[C@@H]1CCCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001334876658 1053128473 /nfs/dbraw/zinc/12/84/73/1053128473.db2.gz DFDIGLWFNJTSGK-RCCFBDPRSA-N 1 2 370.497 2.594 20 30 FFEDLO C=CCN(CC=C)c1nnc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC(=C)C ZINC001346647603 1053182937 /nfs/dbraw/zinc/18/29/37/1053182937.db2.gz VYTNUKYGRDQBBR-ROUUACIJSA-N 1 2 357.502 2.958 20 30 FFEDLO C=CCN(CC=C)c1nnc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC(=C)C ZINC001346647603 1053182942 /nfs/dbraw/zinc/18/29/42/1053182942.db2.gz VYTNUKYGRDQBBR-ROUUACIJSA-N 1 2 357.502 2.958 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc(C[NH+]2CCCC2)n1C[C@@H]1CCOC1 ZINC001346918001 1053440682 /nfs/dbraw/zinc/44/06/82/1053440682.db2.gz RHBDLQXMJDMQDM-ZWKOTPCHSA-N 1 2 359.518 2.845 20 30 FFEDLO C=C1CCC(C(=O)N[C@H](C)CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001336340219 1053935498 /nfs/dbraw/zinc/93/54/98/1053935498.db2.gz YZPHAKAHIOMKJN-DJIMGWMZSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C1CCC(C(=O)N[C@H](C)CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001336340219 1053935509 /nfs/dbraw/zinc/93/55/09/1053935509.db2.gz YZPHAKAHIOMKJN-DJIMGWMZSA-N 1 2 358.486 2.661 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)C1(CCF)CC1 ZINC001347948904 1054492697 /nfs/dbraw/zinc/49/26/97/1054492697.db2.gz NRTPZQKNQRTDHU-UHFFFAOYSA-N 1 2 351.443 2.615 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(CC(=C)C)Cc1ccccc1 ZINC001351604170 1054916133 /nfs/dbraw/zinc/91/61/33/1054916133.db2.gz LABPOTHEPKZKRQ-MOPGFXCFSA-N 1 2 367.497 2.784 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(CC(=C)C)Cc1ccccc1 ZINC001351604170 1054916146 /nfs/dbraw/zinc/91/61/46/1054916146.db2.gz LABPOTHEPKZKRQ-MOPGFXCFSA-N 1 2 367.497 2.784 20 30 FFEDLO C=CCOCc1nnc(N2CCC(Nc3cccc[nH+]3)CC2)n1CC1CC1 ZINC001348917338 1054998275 /nfs/dbraw/zinc/99/82/75/1054998275.db2.gz FEBOIXGXPMSRHY-UHFFFAOYSA-N 1 2 368.485 2.867 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@](F)(C#N)C1 ZINC001351979724 1055098048 /nfs/dbraw/zinc/09/80/48/1055098048.db2.gz ACGCKGGADOBXTC-QAPCUYQASA-N 1 2 357.437 2.738 20 30 FFEDLO CCN(c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@H]1CCOC1)C(C)C ZINC001349283334 1055172900 /nfs/dbraw/zinc/17/29/00/1055172900.db2.gz XWSOORMHOIJQEX-QGZVFWFLSA-N 1 2 374.533 2.642 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001356210689 1055388651 /nfs/dbraw/zinc/38/86/51/1055388651.db2.gz ORHRMRBCEWGDSI-MSOLQXFVSA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001356210689 1055388667 /nfs/dbraw/zinc/38/86/67/1055388667.db2.gz ORHRMRBCEWGDSI-MSOLQXFVSA-N 1 2 359.518 2.874 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001350725508 1055910347 /nfs/dbraw/zinc/91/03/47/1055910347.db2.gz XJSBRKVTCYGUGH-FUHWJXTLSA-N 1 2 356.518 2.925 20 30 FFEDLO C=CCN(CCc1ccco1)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001338923193 1055936850 /nfs/dbraw/zinc/93/68/50/1055936850.db2.gz DIVRSHYBCPCHGH-UHFFFAOYSA-N 1 2 368.485 2.736 20 30 FFEDLO COc1ccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1C#N ZINC001352958490 1055974150 /nfs/dbraw/zinc/97/41/50/1055974150.db2.gz BSHQDDCPDFQJFM-AWEZNQCLSA-N 1 2 353.426 2.787 20 30 FFEDLO CCCCCCCCCCNC(=S)N1CC[N@H+](C)C[C@@H]1C(=O)OC ZINC001200217610 1056060452 /nfs/dbraw/zinc/06/04/52/1056060452.db2.gz WTZXTGNVFBGYPY-MRXNPFEDSA-N 1 2 357.564 2.791 20 30 FFEDLO CCCCCCCCCCNC(=S)N1CC[N@@H+](C)C[C@@H]1C(=O)OC ZINC001200217610 1056060466 /nfs/dbraw/zinc/06/04/66/1056060466.db2.gz WTZXTGNVFBGYPY-MRXNPFEDSA-N 1 2 357.564 2.791 20 30 FFEDLO N#CCOc1ccc(CC(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)cc1 ZINC001339115060 1056107199 /nfs/dbraw/zinc/10/71/99/1056107199.db2.gz GUJQALVPRXCKRY-IBGZPJMESA-N 1 2 369.852 2.958 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCS[C@@H](CC)C1 ZINC001339486127 1056501762 /nfs/dbraw/zinc/50/17/62/1056501762.db2.gz QQTWMKNQRVYBNY-JKSUJKDBSA-N 1 2 365.547 2.578 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCS[C@@H](CC)C1 ZINC001339486127 1056501784 /nfs/dbraw/zinc/50/17/84/1056501784.db2.gz QQTWMKNQRVYBNY-JKSUJKDBSA-N 1 2 365.547 2.578 20 30 FFEDLO C#CCN(CC)c1nnc(Cc2ccsc2)n1Cc1c[nH+]ccc1OC ZINC001359011608 1056655253 /nfs/dbraw/zinc/65/52/53/1056655253.db2.gz DOSSLTOISVXVOZ-UHFFFAOYSA-N 1 2 367.478 2.842 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2cc(F)ccc2F)CC1 ZINC001359029127 1056665334 /nfs/dbraw/zinc/66/53/34/1056665334.db2.gz OYEQFEVZNGYKPZ-UHFFFAOYSA-N 1 2 373.451 2.657 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CC[C@H](OCC)C(C)C)CC1 ZINC001359034929 1056666760 /nfs/dbraw/zinc/66/67/60/1056666760.db2.gz GZQDNKIULOISQZ-IBGZPJMESA-N 1 2 373.545 2.752 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CC2CCC(F)(F)CC2)CC1 ZINC001359034333 1056667298 /nfs/dbraw/zinc/66/72/98/1056667298.db2.gz METDZPKKNOHZAB-UHFFFAOYSA-N 1 2 363.456 2.736 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2Cc2sccc2C)CC1 ZINC001359036140 1056668692 /nfs/dbraw/zinc/66/86/92/1056668692.db2.gz OFRMRNFBYIURST-UHFFFAOYSA-N 1 2 357.527 2.650 20 30 FFEDLO C=CCn1c(-c2ncc(C)o2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001339657708 1056683755 /nfs/dbraw/zinc/68/37/55/1056683755.db2.gz OATSLJXRJIVILW-UHFFFAOYSA-N 1 2 365.441 2.903 20 30 FFEDLO CC(C)[C@H](C#N)N1CCN(C(=O)c2c[nH+]ccc2Nc2ccccc2)CC1 ZINC001443044370 1058178474 /nfs/dbraw/zinc/17/84/74/1058178474.db2.gz AUXARBXKFUJKEQ-FQEVSTJZSA-N 1 2 363.465 2.553 20 30 FFEDLO CCc1nnc(N2CCC(C)(C#N)CC2)n1CCc1cn2ccccc2[nH+]1 ZINC001498908806 1058192070 /nfs/dbraw/zinc/19/20/70/1058192070.db2.gz ODENPUWGSMMKAM-UHFFFAOYSA-N 1 2 363.469 2.861 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001518016837 1058236452 /nfs/dbraw/zinc/23/64/52/1058236452.db2.gz DOXOSCSKPUMCED-INIZCTEOSA-N 1 2 365.495 2.536 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001513245396 1058312001 /nfs/dbraw/zinc/31/20/01/1058312001.db2.gz WMULRFHKLPSJCS-CXAGYDPISA-N 1 2 354.454 2.742 20 30 FFEDLO CCc1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001513836417 1058604018 /nfs/dbraw/zinc/60/40/18/1058604018.db2.gz VPDDMGIHWOAIHR-MRXNPFEDSA-N 1 2 353.474 2.663 20 30 FFEDLO CCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1cn2ccccc2[nH+]1 ZINC001513885347 1058644923 /nfs/dbraw/zinc/64/49/23/1058644923.db2.gz SITFBBKVBQKLRI-HXUWFJFHSA-N 1 2 363.469 2.861 20 30 FFEDLO C=CCC1(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001501882812 1058732074 /nfs/dbraw/zinc/73/20/74/1058732074.db2.gz NIVMTWGZKQZGEV-KGVXHEBISA-N 1 2 370.497 2.828 20 30 FFEDLO C=CCC1(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001501882812 1058732097 /nfs/dbraw/zinc/73/20/97/1058732097.db2.gz NIVMTWGZKQZGEV-KGVXHEBISA-N 1 2 370.497 2.828 20 30 FFEDLO Nc1cc(N2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)[nH+]cn1 ZINC001354278228 1058801783 /nfs/dbraw/zinc/80/17/83/1058801783.db2.gz JDAOSOIXRYKYIJ-OLQVQODUSA-N 1 2 362.224 2.666 20 30 FFEDLO C=CCC1(O)CCN(c2nnc([C@@H](CC(C)C)n3cc[nH+]c3)n2C)CC1 ZINC001519672692 1058939078 /nfs/dbraw/zinc/93/90/78/1058939078.db2.gz DPCHDPVSQYFPME-MRXNPFEDSA-N 1 2 358.490 2.555 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC001515018622 1059228352 /nfs/dbraw/zinc/22/83/52/1059228352.db2.gz CAHXLBPPHRSNBJ-SFHVURJKSA-N 1 2 359.518 2.845 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCCC[C@@H](SC)C1 ZINC001515042109 1059253273 /nfs/dbraw/zinc/25/32/73/1059253273.db2.gz KCWDCRCGNINKOP-OAHLLOKOSA-N 1 2 360.531 2.900 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2Cc2ccc(F)c(C)c2)CC1 ZINC001300681744 1059312794 /nfs/dbraw/zinc/31/27/94/1059312794.db2.gz AUOFYOUPRHRYMH-UHFFFAOYSA-N 1 2 355.461 2.653 20 30 FFEDLO Cc1cc(C)c(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c[nH+]1 ZINC000848209742 1059348182 /nfs/dbraw/zinc/34/81/82/1059348182.db2.gz SQFCKEAEAHJFIY-UHFFFAOYSA-N 1 2 371.481 2.965 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CCCCCSC)CC1 ZINC001300698721 1059396269 /nfs/dbraw/zinc/39/62/69/1059396269.db2.gz YYLHGWYAMKWSIA-UHFFFAOYSA-N 1 2 361.559 2.834 20 30 FFEDLO N#CCOc1cccc(CC(=O)NCCn2c[nH+]cc2-c2ccccc2)c1 ZINC001454324381 1059503612 /nfs/dbraw/zinc/50/36/12/1059503612.db2.gz WUTWADPXJZNXIV-UHFFFAOYSA-N 1 2 360.417 2.811 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N(Cc1ccc(F)cc1)C1CC1 ZINC001520289665 1059575718 /nfs/dbraw/zinc/57/57/18/1059575718.db2.gz PYNGWBDWXWWQFE-ZWKOTPCHSA-N 1 2 371.460 2.510 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N(Cc1ccc(F)cc1)C1CC1 ZINC001520289665 1059575733 /nfs/dbraw/zinc/57/57/33/1059575733.db2.gz PYNGWBDWXWWQFE-ZWKOTPCHSA-N 1 2 371.460 2.510 20 30 FFEDLO CCCCCCCC[C@@H](C)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001455698172 1059875977 /nfs/dbraw/zinc/87/59/77/1059875977.db2.gz PNXHNJJGARIEJM-GOSISDBHSA-N 1 2 353.551 2.996 20 30 FFEDLO CCCCCCCC[C@@H](C)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001455698172 1059876003 /nfs/dbraw/zinc/87/60/03/1059876003.db2.gz PNXHNJJGARIEJM-GOSISDBHSA-N 1 2 353.551 2.996 20 30 FFEDLO CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001520841178 1060131354 /nfs/dbraw/zinc/13/13/54/1060131354.db2.gz MJZXGBDTHUEXTH-DNVCBOLYSA-N 1 2 356.449 2.933 20 30 FFEDLO CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001520841178 1060131363 /nfs/dbraw/zinc/13/13/63/1060131363.db2.gz MJZXGBDTHUEXTH-DNVCBOLYSA-N 1 2 356.449 2.933 20 30 FFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001521342403 1060544970 /nfs/dbraw/zinc/54/49/70/1060544970.db2.gz HEGVCOXHMQPRCR-UKRRQHHQSA-N 1 2 370.950 2.733 20 30 FFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001521342403 1060544989 /nfs/dbraw/zinc/54/49/89/1060544989.db2.gz HEGVCOXHMQPRCR-UKRRQHHQSA-N 1 2 370.950 2.733 20 30 FFEDLO C=CCCn1cc(COC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)nn1 ZINC000848752683 1060599077 /nfs/dbraw/zinc/59/90/77/1060599077.db2.gz MGKLICJMXXAAHS-UHFFFAOYSA-N 1 2 361.352 2.534 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@@H]1CC1CCCC1 ZINC001355919432 1060727287 /nfs/dbraw/zinc/72/72/87/1060727287.db2.gz JFWPBPWNLQGMME-KURKYZTESA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H]1CC1CCCC1 ZINC001355919432 1060727302 /nfs/dbraw/zinc/72/73/02/1060727302.db2.gz JFWPBPWNLQGMME-KURKYZTESA-N 1 2 359.518 2.751 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC(c2nc(C)no2)CC1 ZINC001355967001 1060768796 /nfs/dbraw/zinc/76/87/96/1060768796.db2.gz HBSQMAZEQFCBPQ-UHFFFAOYSA-N 1 2 371.489 2.525 20 30 FFEDLO C=CCN(CCOC)c1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC001522112314 1061562456 /nfs/dbraw/zinc/56/24/56/1061562456.db2.gz HJVVLMIDEODDAB-UHFFFAOYSA-N 1 2 355.486 2.561 20 30 FFEDLO CC#CC[C@H](CO)[NH2+]Cc1nc(N(C)C)n(-c2ccc(C)cc2)c1Cl ZINC001462392609 1061604452 /nfs/dbraw/zinc/60/44/52/1061604452.db2.gz OPTZQKQZAONGEW-OAHLLOKOSA-N 1 2 360.889 2.764 20 30 FFEDLO Cc1nn(C(C)(C)C)c2nc(Cl)c(C[NH2+][C@@H]3CCCN(O)C3=O)cc12 ZINC001462399378 1061609297 /nfs/dbraw/zinc/60/92/97/1061609297.db2.gz DJQJDVMDKGCDAW-CYBMUJFWSA-N 1 2 365.865 2.618 20 30 FFEDLO N#CCOc1cccc(OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001528707975 1062018121 /nfs/dbraw/zinc/01/81/21/1062018121.db2.gz HKWRSQIJDYISRF-UHFFFAOYSA-N 1 2 364.317 2.902 20 30 FFEDLO Cc1nnc(N(C)[C@H](C)CC#N)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001492775875 1062199494 /nfs/dbraw/zinc/19/94/94/1062199494.db2.gz LAMBNPJQHAQPHT-MLGOLLRUSA-N 1 2 362.428 2.906 20 30 FFEDLO C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCCc2[nH]ncc21 ZINC001479561553 1062544631 /nfs/dbraw/zinc/54/46/31/1062544631.db2.gz DMPNLRKKFPPGHN-SNPRPXQTSA-N 1 2 350.894 2.799 20 30 FFEDLO Cc1[nH+]c[nH]c1CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC001464394508 1062589179 /nfs/dbraw/zinc/58/91/79/1062589179.db2.gz ANXDYDILCGVHIM-UHFFFAOYSA-N 1 2 370.463 2.915 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(CC)o3)CC[C@@H]2C1 ZINC001479667868 1062766305 /nfs/dbraw/zinc/76/63/05/1062766305.db2.gz YIZBXOWEASURTM-SJORKVTESA-N 1 2 358.486 2.681 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(CC)o3)CC[C@@H]2C1 ZINC001479667868 1062766326 /nfs/dbraw/zinc/76/63/26/1062766326.db2.gz YIZBXOWEASURTM-SJORKVTESA-N 1 2 358.486 2.681 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1ccoc1 ZINC001524367085 1062816137 /nfs/dbraw/zinc/81/61/37/1062816137.db2.gz BHNRKBRQNQZZFA-KRWDZBQOSA-N 1 2 359.474 2.865 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1ccoc1 ZINC001524367085 1062816161 /nfs/dbraw/zinc/81/61/61/1062816161.db2.gz BHNRKBRQNQZZFA-KRWDZBQOSA-N 1 2 359.474 2.865 20 30 FFEDLO C=CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001466893175 1063585925 /nfs/dbraw/zinc/58/59/25/1063585925.db2.gz RWGZKFHSEYQGRN-VQIMIIECSA-N 1 2 369.465 2.777 20 30 FFEDLO C=CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001466893175 1063585930 /nfs/dbraw/zinc/58/59/30/1063585930.db2.gz RWGZKFHSEYQGRN-VQIMIIECSA-N 1 2 369.465 2.777 20 30 FFEDLO C#CCOc1ccc(CNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)cc1 ZINC001468165039 1063935968 /nfs/dbraw/zinc/93/59/68/1063935968.db2.gz IJMCTIDBKYGBLC-UHFFFAOYSA-N 1 2 374.444 2.937 20 30 FFEDLO Cc1cccc(C#N)c1S(=O)(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC001474848331 1065626321 /nfs/dbraw/zinc/62/63/21/1065626321.db2.gz QRAFBYOEUSSPHN-UHFFFAOYSA-N 1 2 370.478 2.731 20 30 FFEDLO CO[C@@H]1C[C@H](c2[nH]c(C)c(C)[nH+]2)N(C(=O)[C@H]2C[C@@H](C(C)=NO)C2(C)C)C1 ZINC001550387399 1074241876 /nfs/dbraw/zinc/24/18/76/1074241876.db2.gz DNQXIPYVTXPZJN-QKPAOTATSA-N 1 2 362.474 2.827 20 30 FFEDLO N#Cc1ccc(N2CCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC2)cc1 ZINC001557722803 1075879000 /nfs/dbraw/zinc/87/90/00/1075879000.db2.gz NLZUEOWTELJSIS-UHFFFAOYSA-N 1 2 371.444 2.765 20 30 FFEDLO CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001558353229 1075987469 /nfs/dbraw/zinc/98/74/69/1075987469.db2.gz PNBPVEFUKLVKGY-HZPDHXFCSA-N 1 2 374.485 2.997 20 30 FFEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2cnc(C#N)c(C#N)n2)CC1 ZINC001559104898 1076126299 /nfs/dbraw/zinc/12/62/99/1076126299.db2.gz AYTRKAPMABDVBK-GOSISDBHSA-N 1 2 368.391 2.771 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1c1ccccc1 ZINC001565883342 1076778459 /nfs/dbraw/zinc/77/84/59/1076778459.db2.gz HSTSDVNCAAHPJK-RBUKOAKNSA-N 1 2 367.497 2.502 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1c1ccccc1 ZINC001565883342 1076778463 /nfs/dbraw/zinc/77/84/63/1076778463.db2.gz HSTSDVNCAAHPJK-RBUKOAKNSA-N 1 2 367.497 2.502 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)on2)C[C@H]1c1ccccc1 ZINC001565885341 1076780377 /nfs/dbraw/zinc/78/03/77/1076780377.db2.gz XFAZTSSMJQALMK-VQTJNVASSA-N 1 2 369.465 2.660 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)on2)C[C@H]1c1ccccc1 ZINC001565885341 1076780383 /nfs/dbraw/zinc/78/03/83/1076780383.db2.gz XFAZTSSMJQALMK-VQTJNVASSA-N 1 2 369.465 2.660 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(C2CC2)no1 ZINC001565962393 1076815408 /nfs/dbraw/zinc/81/54/08/1076815408.db2.gz BJIWSHVOYORACT-WBVHZDCISA-N 1 2 358.486 2.857 20 30 FFEDLO N#Cc1ccccc1NC(=O)CCCC(=O)NCCCNc1cccc[nH+]1 ZINC001565985707 1076829903 /nfs/dbraw/zinc/82/99/03/1076829903.db2.gz JKXJDQFYCAUVFW-UHFFFAOYSA-N 1 2 365.437 2.680 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@@H+]1CC(=O)Nc1ccc(C)cc1C ZINC001566012423 1076846896 /nfs/dbraw/zinc/84/68/96/1076846896.db2.gz LWJKDGSFJTZIGW-VQTJNVASSA-N 1 2 367.493 2.624 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@H+]1CC(=O)Nc1ccc(C)cc1C ZINC001566012423 1076846902 /nfs/dbraw/zinc/84/69/02/1076846902.db2.gz LWJKDGSFJTZIGW-VQTJNVASSA-N 1 2 367.493 2.624 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2CC[N@H+](Cc3nonc3C)[C@@H]2CC)CCCCC1 ZINC001566030049 1076866423 /nfs/dbraw/zinc/86/64/23/1076866423.db2.gz ZVPXOLNJEZBMKW-FUHWJXTLSA-N 1 2 358.486 2.821 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3nonc3C)[C@@H]2CC)CCCCC1 ZINC001566030049 1076866425 /nfs/dbraw/zinc/86/64/25/1076866425.db2.gz ZVPXOLNJEZBMKW-FUHWJXTLSA-N 1 2 358.486 2.821 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C)C1CCC1 ZINC001566098221 1076902532 /nfs/dbraw/zinc/90/25/32/1076902532.db2.gz USGXIQMQLGCOJI-VMDGZTHMSA-N 1 2 359.445 2.591 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C)C1CCC1 ZINC001566098221 1076902533 /nfs/dbraw/zinc/90/25/33/1076902533.db2.gz USGXIQMQLGCOJI-VMDGZTHMSA-N 1 2 359.445 2.591 20 30 FFEDLO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@]12CCC[C@H]1OCC2 ZINC001569127970 1077130196 /nfs/dbraw/zinc/13/01/96/1077130196.db2.gz LEYGXJNSGRRYAD-QMIHWGKISA-N 1 2 359.445 2.593 20 30 FFEDLO C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@]12CCC[C@H]1OCC2 ZINC001569127970 1077130199 /nfs/dbraw/zinc/13/01/99/1077130199.db2.gz LEYGXJNSGRRYAD-QMIHWGKISA-N 1 2 359.445 2.593 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccn(C2CCCC2)n1 ZINC001570736222 1077226704 /nfs/dbraw/zinc/22/67/04/1077226704.db2.gz SYAOVWPBNINXCI-LZQZEXGQSA-N 1 2 360.502 2.526 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccn(C2CCCC2)n1 ZINC001570736222 1077226708 /nfs/dbraw/zinc/22/67/08/1077226708.db2.gz SYAOVWPBNINXCI-LZQZEXGQSA-N 1 2 360.502 2.526 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC[N@H+](C)Cc1nc(C)cs1)C(C)C ZINC001571614757 1077258007 /nfs/dbraw/zinc/25/80/07/1077258007.db2.gz SMZFYWOPCLSXFW-CVEARBPZSA-N 1 2 351.516 2.711 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC[N@@H+](C)Cc1nc(C)cs1)C(C)C ZINC001571614757 1077258014 /nfs/dbraw/zinc/25/80/14/1077258014.db2.gz SMZFYWOPCLSXFW-CVEARBPZSA-N 1 2 351.516 2.711 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)cc1C#N ZINC001587086743 1079733478 /nfs/dbraw/zinc/73/34/78/1079733478.db2.gz YUGOMGKBCMKKMJ-UHFFFAOYSA-N 1 2 360.414 2.834 20 30 FFEDLO C#CCN(CC)c1nnc(-c2cccnc2)n1CCCNc1cccc[nH+]1 ZINC001588302002 1079967614 /nfs/dbraw/zinc/96/76/14/1079967614.db2.gz JGIMYHAALWRMTI-UHFFFAOYSA-N 1 2 361.453 2.697 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)c1[nH+]c(C)cc(C)c1-c1nn[nH]n1 ZINC001588425984 1080023635 /nfs/dbraw/zinc/02/36/35/1080023635.db2.gz FNZQSTQBIRKVGQ-UHFFFAOYSA-N 1 2 354.414 2.547 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CC2(CC(C)C)CC2)CC1 ZINC001588800699 1080201965 /nfs/dbraw/zinc/20/19/65/1080201965.db2.gz MYESPYYSQVPQFW-UHFFFAOYSA-N 1 2 366.513 2.855 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCC(C)C)CC1 ZINC001588813396 1080205270 /nfs/dbraw/zinc/20/52/70/1080205270.db2.gz XLBLIEGNNPCCGH-SFHVURJKSA-N 1 2 359.518 2.711 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2[C@@H]2C[C@H]2C)CC1 ZINC001588836382 1080212590 /nfs/dbraw/zinc/21/25/90/1080212590.db2.gz IMZPCXCBQLBVPI-CRAIPNDOSA-N 1 2 369.900 2.858 20 30 FFEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101728722 250086181 /nfs/dbraw/zinc/08/61/81/250086181.db2.gz ILFKOWMTEYWVPF-FGTMMUONSA-N 1 2 354.498 2.858 20 30 FFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105298241 250206875 /nfs/dbraw/zinc/20/68/75/250206875.db2.gz KGNDEPXCEZZVIB-IAGOWNOFSA-N 1 2 358.486 2.587 20 30 FFEDLO CC(C)c1[nH+]c2c(n1C)CCN([C@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000106372561 250265421 /nfs/dbraw/zinc/26/54/21/250265421.db2.gz PROFAHPSIUEVIO-CQSZACIVSA-N 1 2 351.454 2.800 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCSC3(CCOCC3)C2)c(C#N)c1C ZINC000186849266 251275100 /nfs/dbraw/zinc/27/51/00/251275100.db2.gz AZXISGHLFVZJLE-CYBMUJFWSA-N 1 2 363.483 2.693 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCSC3(CCOCC3)C2)c(C#N)c1C ZINC000186849266 251275104 /nfs/dbraw/zinc/27/51/04/251275104.db2.gz AZXISGHLFVZJLE-CYBMUJFWSA-N 1 2 363.483 2.693 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000008004287 207215488 /nfs/dbraw/zinc/21/54/88/207215488.db2.gz YOKAMBHLICLZHZ-UHFFFAOYSA-N 1 2 368.462 2.909 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](Cc3cn(Cc4cccnc4)nn3)CC2)cc1 ZINC000273342085 252285905 /nfs/dbraw/zinc/28/59/05/252285905.db2.gz AQOFUOMOZMNCLC-UHFFFAOYSA-N 1 2 374.448 2.636 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CC(=O)c4ccccc43)CC2)cc1 ZINC000276504070 256105935 /nfs/dbraw/zinc/10/59/35/256105935.db2.gz XUEPBVWFIONJMS-OAQYLSRUSA-N 1 2 373.456 2.963 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC(=O)c4ccccc43)CC2)cc1 ZINC000276504070 256105937 /nfs/dbraw/zinc/10/59/37/256105937.db2.gz XUEPBVWFIONJMS-OAQYLSRUSA-N 1 2 373.456 2.963 20 30 FFEDLO CC(C)[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1[nH]cc[nH+]1 ZINC000288313325 257174005 /nfs/dbraw/zinc/17/40/05/257174005.db2.gz ZEOBWUOIDRUFLS-YOEHRIQHSA-N 1 2 355.417 2.760 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3cc(F)cc4c3OCOC4)CC2)c1C#N ZINC000289367831 257276976 /nfs/dbraw/zinc/27/69/76/257276976.db2.gz AWTHDOWVONRJBJ-UHFFFAOYSA-N 1 2 374.441 2.651 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c(C#N)c1C ZINC000289408903 257279544 /nfs/dbraw/zinc/27/95/44/257279544.db2.gz AASMAHDIJQQDOG-CYBMUJFWSA-N 1 2 363.874 2.972 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c(C#N)c1C ZINC000289408903 257279545 /nfs/dbraw/zinc/27/95/45/257279545.db2.gz AASMAHDIJQQDOG-CYBMUJFWSA-N 1 2 363.874 2.972 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCO[C@H](C4CCCCC4)C3)C2=O)cc1 ZINC000329691235 258144982 /nfs/dbraw/zinc/14/49/82/258144982.db2.gz WGBWWLCRDGFDHD-PMACEKPBSA-N 1 2 353.466 2.945 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCO[C@H](C4CCCCC4)C3)C2=O)cc1 ZINC000329691235 258144983 /nfs/dbraw/zinc/14/49/83/258144983.db2.gz WGBWWLCRDGFDHD-PMACEKPBSA-N 1 2 353.466 2.945 20 30 FFEDLO CN(C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2F)CC1)C1CCCCC1 ZINC000331931172 258206513 /nfs/dbraw/zinc/20/65/13/258206513.db2.gz DVMVDTYCXQMUII-UHFFFAOYSA-N 1 2 372.488 2.606 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000016473991 132373613 /nfs/dbraw/zinc/37/36/13/132373613.db2.gz FCZZJHUGLGRBDL-INIZCTEOSA-N 1 2 358.461 2.679 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1Cl ZINC000370904371 512126531 /nfs/dbraw/zinc/12/65/31/512126531.db2.gz JDDLIBOXOPHYSM-INIZCTEOSA-N 1 2 374.872 2.627 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1Cl ZINC000370904371 512126532 /nfs/dbraw/zinc/12/65/32/512126532.db2.gz JDDLIBOXOPHYSM-INIZCTEOSA-N 1 2 374.872 2.627 20 30 FFEDLO COc1cccc([C@H](NC(=O)c2ccc(C#N)c(C)n2)c2[nH+]ccn2C)c1 ZINC000032301379 506240247 /nfs/dbraw/zinc/24/02/47/506240247.db2.gz SLHDUKMVNRXRRB-SFHVURJKSA-N 1 2 361.405 2.523 20 30 FFEDLO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000053098850 506313167 /nfs/dbraw/zinc/31/31/67/506313167.db2.gz PMJWVBFTBRKECV-CQSZACIVSA-N 1 2 355.467 2.945 20 30 FFEDLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000053098850 506313174 /nfs/dbraw/zinc/31/31/74/506313174.db2.gz PMJWVBFTBRKECV-CQSZACIVSA-N 1 2 355.467 2.945 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(F)(c3cccnc3)CC2)cc1 ZINC000375282816 512248914 /nfs/dbraw/zinc/24/89/14/512248914.db2.gz VJDFMPWDFPBGLB-UHFFFAOYSA-N 1 2 373.453 2.688 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000053701938 506433880 /nfs/dbraw/zinc/43/38/80/506433880.db2.gz XESYXTQUWLDVHG-UHFFFAOYSA-N 1 2 361.492 2.516 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000053701938 506433885 /nfs/dbraw/zinc/43/38/85/506433885.db2.gz XESYXTQUWLDVHG-UHFFFAOYSA-N 1 2 361.492 2.516 20 30 FFEDLO C=CCOc1ccccc1CNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000369219514 512288872 /nfs/dbraw/zinc/28/88/72/512288872.db2.gz FIRLEHMCKWLQPK-UHFFFAOYSA-N 1 2 363.421 2.832 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000042978787 506683905 /nfs/dbraw/zinc/68/39/05/506683905.db2.gz NLVDMXSNBDIIIJ-JRXGNGRHSA-N 1 2 368.525 2.760 20 30 FFEDLO N#Cc1cccc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000043330012 506734035 /nfs/dbraw/zinc/73/40/35/506734035.db2.gz JOEGIEZVGLJPIP-MRXNPFEDSA-N 1 2 356.451 2.815 20 30 FFEDLO C#CC[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000045911572 507044215 /nfs/dbraw/zinc/04/42/15/507044215.db2.gz XOVLLVYUTZAWDR-UHFFFAOYSA-N 1 2 359.779 2.548 20 30 FFEDLO C=CCOc1cccc(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000056772336 507089153 /nfs/dbraw/zinc/08/91/53/507089153.db2.gz JZIMGRJJNKWOPN-UHFFFAOYSA-N 1 2 352.438 2.996 20 30 FFEDLO C=CCNC(=O)C[N@@H+](CCC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000016589926 507097678 /nfs/dbraw/zinc/09/76/78/507097678.db2.gz KRFCKJLYXLJVPL-UHFFFAOYSA-N 1 2 358.269 2.946 20 30 FFEDLO C=CCNC(=O)C[N@H+](CCC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000016589926 507097682 /nfs/dbraw/zinc/09/76/82/507097682.db2.gz KRFCKJLYXLJVPL-UHFFFAOYSA-N 1 2 358.269 2.946 20 30 FFEDLO Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)c1C ZINC000016636715 507100592 /nfs/dbraw/zinc/10/05/92/507100592.db2.gz SWXAONVCKRVDBP-QGZVFWFLSA-N 1 2 370.497 2.905 20 30 FFEDLO Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)c1C ZINC000016636715 507100594 /nfs/dbraw/zinc/10/05/94/507100594.db2.gz SWXAONVCKRVDBP-QGZVFWFLSA-N 1 2 370.497 2.905 20 30 FFEDLO CCOC(=O)Cc1csc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000046529170 507150123 /nfs/dbraw/zinc/15/01/23/507150123.db2.gz KSXXFJUEHSVJPJ-UHFFFAOYSA-N 1 2 372.450 2.840 20 30 FFEDLO CCOC(=O)Cc1csc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000046529170 507150130 /nfs/dbraw/zinc/15/01/30/507150130.db2.gz KSXXFJUEHSVJPJ-UHFFFAOYSA-N 1 2 372.450 2.840 20 30 FFEDLO COc1cccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000057406525 507257139 /nfs/dbraw/zinc/25/71/39/507257139.db2.gz VOWIWFGLRJHEML-INIZCTEOSA-N 1 2 364.449 2.716 20 30 FFEDLO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(C#N)ccc1F ZINC000022134513 507281395 /nfs/dbraw/zinc/28/13/95/507281395.db2.gz YVZGJIUXQYPAFT-UHFFFAOYSA-N 1 2 369.396 2.929 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(C#N)ccc1F ZINC000022134513 507281403 /nfs/dbraw/zinc/28/14/03/507281403.db2.gz YVZGJIUXQYPAFT-UHFFFAOYSA-N 1 2 369.396 2.929 20 30 FFEDLO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1nccn1CC(F)(F)F ZINC000057845318 507341585 /nfs/dbraw/zinc/34/15/85/507341585.db2.gz ZZRWUWYYXPJABL-UHFFFAOYSA-N 1 2 365.359 2.778 20 30 FFEDLO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1nccn1CC(F)(F)F ZINC000057845318 507341586 /nfs/dbraw/zinc/34/15/86/507341586.db2.gz ZZRWUWYYXPJABL-UHFFFAOYSA-N 1 2 365.359 2.778 20 30 FFEDLO N#CC1CC[NH+](CC(=O)N2c3ccccc3NC(=O)C23CCCC3)CC1 ZINC000057879923 507347441 /nfs/dbraw/zinc/34/74/41/507347441.db2.gz KTKMCTMODLPILJ-UHFFFAOYSA-N 1 2 352.438 2.520 20 30 FFEDLO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C#N)CC2)c1 ZINC000057877906 507347586 /nfs/dbraw/zinc/34/75/86/507347586.db2.gz PIZZCGZDJCLQFO-OAHLLOKOSA-N 1 2 356.470 2.731 20 30 FFEDLO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccccc1C#N ZINC000057909993 507350359 /nfs/dbraw/zinc/35/03/59/507350359.db2.gz MLQBWTMDTHPCCD-UHFFFAOYSA-N 1 2 358.463 2.863 20 30 FFEDLO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccccc1C#N ZINC000057909993 507350369 /nfs/dbraw/zinc/35/03/69/507350369.db2.gz MLQBWTMDTHPCCD-UHFFFAOYSA-N 1 2 358.463 2.863 20 30 FFEDLO N#CC1CC[NH+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)CC1 ZINC000057908024 507351428 /nfs/dbraw/zinc/35/14/28/507351428.db2.gz PFGPCSGXNSODFH-MRXNPFEDSA-N 1 2 352.394 2.786 20 30 FFEDLO CCN1C[C@H](C[N@H+](C)CC(=O)Nc2sccc2C#N)Oc2ccccc21 ZINC000058289133 507400646 /nfs/dbraw/zinc/40/06/46/507400646.db2.gz GCQRRRNLSYCGHO-HNNXBMFYSA-N 1 2 370.478 2.778 20 30 FFEDLO CCN1C[C@H](C[N@@H+](C)CC(=O)Nc2sccc2C#N)Oc2ccccc21 ZINC000058289133 507400650 /nfs/dbraw/zinc/40/06/50/507400650.db2.gz GCQRRRNLSYCGHO-HNNXBMFYSA-N 1 2 370.478 2.778 20 30 FFEDLO N#Cc1ccccc1S(=O)(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000024367351 507406495 /nfs/dbraw/zinc/40/64/95/507406495.db2.gz CJXUSIYFRGTXFS-UHFFFAOYSA-N 1 2 373.453 2.594 20 30 FFEDLO N#Cc1ccccc1S(=O)(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000024367351 507406499 /nfs/dbraw/zinc/40/64/99/507406499.db2.gz CJXUSIYFRGTXFS-UHFFFAOYSA-N 1 2 373.453 2.594 20 30 FFEDLO COc1ccc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c([N+](=O)[O-])c1 ZINC000026323639 507575788 /nfs/dbraw/zinc/57/57/88/507575788.db2.gz JLIGPISBXAZLRM-UHFFFAOYSA-N 1 2 354.366 2.546 20 30 FFEDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c([N+](=O)[O-])c1 ZINC000026323639 507575799 /nfs/dbraw/zinc/57/57/99/507575799.db2.gz JLIGPISBXAZLRM-UHFFFAOYSA-N 1 2 354.366 2.546 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c(C)n1-c1ccc(C#N)cc1 ZINC000371352482 512348252 /nfs/dbraw/zinc/34/82/52/512348252.db2.gz XORGQZIKPMKQKX-MRXNPFEDSA-N 1 2 359.433 2.976 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c(C)n1-c1ccc(C#N)cc1 ZINC000371352482 512348255 /nfs/dbraw/zinc/34/82/55/512348255.db2.gz XORGQZIKPMKQKX-MRXNPFEDSA-N 1 2 359.433 2.976 20 30 FFEDLO COc1cccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000367128752 512350616 /nfs/dbraw/zinc/35/06/16/512350616.db2.gz GOWQBCSLJQEECX-HXUWFJFHSA-N 1 2 365.433 2.969 20 30 FFEDLO COc1cccc(NC(=O)CC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000367128752 512350622 /nfs/dbraw/zinc/35/06/22/512350622.db2.gz GOWQBCSLJQEECX-HXUWFJFHSA-N 1 2 365.433 2.969 20 30 FFEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@H](O)C2)c1C#N ZINC000070739178 507626961 /nfs/dbraw/zinc/62/69/61/507626961.db2.gz ICKHRXDBSWJROS-KRWDZBQOSA-N 1 2 370.428 2.500 20 30 FFEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@H](O)C2)c1C#N ZINC000070739178 507626964 /nfs/dbraw/zinc/62/69/64/507626964.db2.gz ICKHRXDBSWJROS-KRWDZBQOSA-N 1 2 370.428 2.500 20 30 FFEDLO COc1ccc(C[N@H+](Cc2cccc(C#N)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027651894 507675489 /nfs/dbraw/zinc/67/54/89/507675489.db2.gz SQJGGNHIONOJBA-IBGZPJMESA-N 1 2 370.474 2.756 20 30 FFEDLO COc1ccc(C[N@@H+](Cc2cccc(C#N)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027651894 507675494 /nfs/dbraw/zinc/67/54/94/507675494.db2.gz SQJGGNHIONOJBA-IBGZPJMESA-N 1 2 370.474 2.756 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)COCc3ccccc3F)CCO2)c1 ZINC000367138184 512354488 /nfs/dbraw/zinc/35/44/88/512354488.db2.gz GHZJSWXCYVSYRI-FPOVZHCZSA-N 1 2 370.424 2.648 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)COCc3ccccc3F)CCO2)c1 ZINC000367138184 512354494 /nfs/dbraw/zinc/35/44/94/512354494.db2.gz GHZJSWXCYVSYRI-FPOVZHCZSA-N 1 2 370.424 2.648 20 30 FFEDLO COc1cc(C(N)=[NH+]OCC(=O)N(C(C)C)C(C)C)cc(Cl)c1OC ZINC000063458317 507733001 /nfs/dbraw/zinc/73/30/01/507733001.db2.gz OQWWNBZSHRYMAM-UHFFFAOYSA-N 1 2 371.865 2.640 20 30 FFEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000051180020 507746803 /nfs/dbraw/zinc/74/68/03/507746803.db2.gz PHILTJSLNMUROG-IXDOHACOSA-N 1 2 372.488 2.997 20 30 FFEDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029856995 507793221 /nfs/dbraw/zinc/79/32/21/507793221.db2.gz CEWDJSKTJANOQU-IAGOWNOFSA-N 1 2 372.488 2.999 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000030282190 507805046 /nfs/dbraw/zinc/80/50/46/507805046.db2.gz VUDQOLAEFLGSKC-UHFFFAOYSA-N 1 2 373.522 2.894 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000030656669 507811744 /nfs/dbraw/zinc/81/17/44/507811744.db2.gz DIMDDJDIYCQKLA-MRXNPFEDSA-N 1 2 360.417 2.887 20 30 FFEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1cccc(Br)c1 ZINC000072690240 507842450 /nfs/dbraw/zinc/84/24/50/507842450.db2.gz HYXYVWMJDUYDOB-UHFFFAOYSA-N 1 2 354.248 2.640 20 30 FFEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1cccc(Br)c1 ZINC000072690240 507842451 /nfs/dbraw/zinc/84/24/51/507842451.db2.gz HYXYVWMJDUYDOB-UHFFFAOYSA-N 1 2 354.248 2.640 20 30 FFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072898070 507870497 /nfs/dbraw/zinc/87/04/97/507870497.db2.gz GYMCSUOGOCYHHR-ZWKOTPCHSA-N 1 2 364.405 2.965 20 30 FFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072898070 507870498 /nfs/dbraw/zinc/87/04/98/507870498.db2.gz GYMCSUOGOCYHHR-ZWKOTPCHSA-N 1 2 364.405 2.965 20 30 FFEDLO CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000078655419 507894282 /nfs/dbraw/zinc/89/42/82/507894282.db2.gz OAZWZOJMQBRZLW-INIZCTEOSA-N 1 2 363.465 2.665 20 30 FFEDLO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108813 507894753 /nfs/dbraw/zinc/89/47/53/507894753.db2.gz UCYSJTCTYRZABC-HNNXBMFYSA-N 1 2 360.421 2.886 20 30 FFEDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000091081665 507952117 /nfs/dbraw/zinc/95/21/17/507952117.db2.gz HNHLCYVDIUEVHY-KRWDZBQOSA-N 1 2 358.467 2.509 20 30 FFEDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000091081665 507952119 /nfs/dbraw/zinc/95/21/19/507952119.db2.gz HNHLCYVDIUEVHY-KRWDZBQOSA-N 1 2 358.467 2.509 20 30 FFEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3nc(C(C)C)no3)c2)n1 ZINC000074285565 508005480 /nfs/dbraw/zinc/00/54/80/508005480.db2.gz SVBBWIVNNBYKGM-UHFFFAOYSA-N 1 2 368.441 2.892 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(OCc3ccccc3F)CC2)cc1 ZINC000091868426 508021063 /nfs/dbraw/zinc/02/10/63/508021063.db2.gz RJCZIMQERNPXIJ-HXUWFJFHSA-N 1 2 367.424 2.905 20 30 FFEDLO COc1ccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1OCCCC#N ZINC000091928326 508025789 /nfs/dbraw/zinc/02/57/89/508025789.db2.gz HRUQOMFRVZTGDY-ICSRJNTNSA-N 1 2 360.454 2.758 20 30 FFEDLO COc1ccc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1OCCCC#N ZINC000091928326 508025790 /nfs/dbraw/zinc/02/57/90/508025790.db2.gz HRUQOMFRVZTGDY-ICSRJNTNSA-N 1 2 360.454 2.758 20 30 FFEDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000091961500 508027344 /nfs/dbraw/zinc/02/73/44/508027344.db2.gz HEMCIAWYEBFNDX-UHFFFAOYSA-N 1 2 358.243 2.939 20 30 FFEDLO Cn1cc(Br)cc1C[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000091961500 508027343 /nfs/dbraw/zinc/02/73/43/508027343.db2.gz HEMCIAWYEBFNDX-UHFFFAOYSA-N 1 2 358.243 2.939 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OC(C)C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361054 508064036 /nfs/dbraw/zinc/06/40/36/508064036.db2.gz DFHXBTVNWVZEPD-MRXNPFEDSA-N 1 2 353.484 2.658 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OC(C)C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361054 508064039 /nfs/dbraw/zinc/06/40/39/508064039.db2.gz DFHXBTVNWVZEPD-MRXNPFEDSA-N 1 2 353.484 2.658 20 30 FFEDLO C[C@@H](O)C1CC[NH+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000111284986 508085893 /nfs/dbraw/zinc/08/58/93/508085893.db2.gz BKETZKFUPJJMOV-CYBMUJFWSA-N 1 2 361.511 2.920 20 30 FFEDLO COc1ccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1OCCCC#N ZINC000092703458 508095763 /nfs/dbraw/zinc/09/57/63/508095763.db2.gz IGFLQMIOYAXKPF-IRXDYDNUSA-N 1 2 357.454 2.621 20 30 FFEDLO COc1ccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1OCCCC#N ZINC000092703458 508095764 /nfs/dbraw/zinc/09/57/64/508095764.db2.gz IGFLQMIOYAXKPF-IRXDYDNUSA-N 1 2 357.454 2.621 20 30 FFEDLO COc1cc(/C=C/C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1OCC#N ZINC000075556149 508116734 /nfs/dbraw/zinc/11/67/34/508116734.db2.gz MSLWYYBDPHIBMC-BIENSFFJSA-N 1 2 366.421 2.740 20 30 FFEDLO Cc1cccc([C@@H](C)[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000075621638 508122282 /nfs/dbraw/zinc/12/22/82/508122282.db2.gz KEPDDCLTNRXOET-QGZVFWFLSA-N 1 2 369.490 2.934 20 30 FFEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000075863230 508139414 /nfs/dbraw/zinc/13/94/14/508139414.db2.gz QSLFTHQMTLAPAS-QRWLVFNGSA-N 1 2 374.916 2.827 20 30 FFEDLO N#Cc1ccccc1CS(=O)(=O)Cc1[nH+]ccn1Cc1ccccc1 ZINC000076218653 508171286 /nfs/dbraw/zinc/17/12/86/508171286.db2.gz QVAHGTFBXZMKAK-UHFFFAOYSA-N 1 2 351.431 2.918 20 30 FFEDLO COc1cc2c(cc1OC)CC[NH+](CC(=O)Nc1sccc1C#N)CC2 ZINC000369384507 512384642 /nfs/dbraw/zinc/38/46/42/512384642.db2.gz DNVXQPYSQJUAKE-UHFFFAOYSA-N 1 2 371.462 2.676 20 30 FFEDLO CC[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@H](C)C#N ZINC000098134194 508236444 /nfs/dbraw/zinc/23/64/44/508236444.db2.gz DTHOTTPVKBNBHB-CQSZACIVSA-N 1 2 351.372 2.655 20 30 FFEDLO CC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@H](C)C#N ZINC000098134194 508236447 /nfs/dbraw/zinc/23/64/47/508236447.db2.gz DTHOTTPVKBNBHB-CQSZACIVSA-N 1 2 351.372 2.655 20 30 FFEDLO C[C@H](NC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1)c1cccs1 ZINC000101554817 508245184 /nfs/dbraw/zinc/24/51/84/508245184.db2.gz OLJYMFWDVLNJOM-HNNXBMFYSA-N 1 2 354.479 2.619 20 30 FFEDLO COC(=O)c1ccc([C@H](C)[NH+]2CCN(c3ccc(C#N)cc3F)CC2)o1 ZINC000101558295 508246310 /nfs/dbraw/zinc/24/63/10/508246310.db2.gz HEGIRKJQJCNJDK-ZDUSSCGKSA-N 1 2 357.385 2.960 20 30 FFEDLO C[C@@H](NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1cccc(C#N)c1 ZINC000076724018 508247092 /nfs/dbraw/zinc/24/70/92/508247092.db2.gz LXERRXYBLBSIGW-CQSZACIVSA-N 1 2 359.389 2.560 20 30 FFEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000077359349 508304887 /nfs/dbraw/zinc/30/48/87/508304887.db2.gz BBISWYLYIIVLAF-HNNXBMFYSA-N 1 2 364.405 2.985 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2ccc(C#N)cc2C)c1C ZINC000077387958 508309620 /nfs/dbraw/zinc/30/96/20/508309620.db2.gz GEGNFEQEFZTPLR-UHFFFAOYSA-N 1 2 359.451 2.708 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(F)c(C#N)c3)c[nH+]2)CCO1 ZINC000077499578 508323924 /nfs/dbraw/zinc/32/39/24/508323924.db2.gz LBYLUHVRKVYDPC-ZDUSSCGKSA-N 1 2 369.400 2.639 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000104729406 508343647 /nfs/dbraw/zinc/34/36/47/508343647.db2.gz AVNICTVPCBTCGS-UHFFFAOYSA-N 1 2 373.522 2.990 20 30 FFEDLO C[NH+]1CCC(C#N)(NC(=O)CCC(=O)c2csc3ccccc23)CC1 ZINC000087319438 508347576 /nfs/dbraw/zinc/34/75/76/508347576.db2.gz DDWJVJMUSIWFAZ-UHFFFAOYSA-N 1 2 355.463 2.968 20 30 FFEDLO N#Cc1cc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)ccc1F ZINC000114795131 508347809 /nfs/dbraw/zinc/34/78/09/508347809.db2.gz AMINRHGWAKODRS-LJQANCHMSA-N 1 2 353.397 2.834 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000115532064 508406414 /nfs/dbraw/zinc/40/64/14/508406414.db2.gz TYMPGHHMHUDNKH-LJQANCHMSA-N 1 2 368.868 2.556 20 30 FFEDLO CCOc1cc2c(cc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)O[C@@H](C)C2 ZINC000115595613 508415361 /nfs/dbraw/zinc/41/53/61/508415361.db2.gz DFTJTQCAJVRDKI-RBZFPXEDSA-N 1 2 365.433 2.597 20 30 FFEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 ZINC000127378806 508441095 /nfs/dbraw/zinc/44/10/95/508441095.db2.gz HMYLXTASXXFYAT-NRFANRHFSA-N 1 2 374.444 2.531 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000156849091 508486008 /nfs/dbraw/zinc/48/60/08/508486008.db2.gz OGYUWBZNWULLLG-WMZOPIPTSA-N 1 2 374.462 2.513 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000156849091 508486012 /nfs/dbraw/zinc/48/60/12/508486012.db2.gz OGYUWBZNWULLLG-WMZOPIPTSA-N 1 2 374.462 2.513 20 30 FFEDLO C=C(C)COc1cc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)ccc1OC ZINC000157102850 508522905 /nfs/dbraw/zinc/52/29/05/508522905.db2.gz RBJVZYJZXFXEPY-KRWDZBQOSA-N 1 2 365.495 2.802 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)ccc1OC ZINC000157102850 508522911 /nfs/dbraw/zinc/52/29/11/508522911.db2.gz RBJVZYJZXFXEPY-KRWDZBQOSA-N 1 2 365.495 2.802 20 30 FFEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000153192211 508556875 /nfs/dbraw/zinc/55/68/75/508556875.db2.gz KFLJTSSQLHSAGG-UHFFFAOYSA-N 1 2 352.394 2.797 20 30 FFEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000157459379 508568697 /nfs/dbraw/zinc/56/86/97/508568697.db2.gz SYDINEFDRUBLLR-UHFFFAOYSA-N 1 2 365.462 2.894 20 30 FFEDLO Cc1cccc(OCC[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000128354131 508581348 /nfs/dbraw/zinc/58/13/48/508581348.db2.gz MUSJIZHZEUZKKN-UHFFFAOYSA-N 1 2 358.463 2.651 20 30 FFEDLO Cc1cccc(OCC[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000128354131 508581352 /nfs/dbraw/zinc/58/13/52/508581352.db2.gz MUSJIZHZEUZKKN-UHFFFAOYSA-N 1 2 358.463 2.651 20 30 FFEDLO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000157631045 508590008 /nfs/dbraw/zinc/59/00/08/508590008.db2.gz DGXZZZIXHZLXTL-DLBZAZTESA-N 1 2 364.453 2.859 20 30 FFEDLO N#Cc1ccccc1OCC[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000128539505 508607908 /nfs/dbraw/zinc/60/79/08/508607908.db2.gz UUBBKLATPFDHSM-UHFFFAOYSA-N 1 2 361.449 2.631 20 30 FFEDLO CC(C)S(=O)(=O)CCCO[NH+]=C(N)c1cccc(C(F)(F)F)c1 ZINC000122930724 508609207 /nfs/dbraw/zinc/60/92/07/508609207.db2.gz BTWCEOKDMJDOGC-UHFFFAOYSA-N 1 2 352.378 2.556 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3O)CC2)cc1 ZINC000123267947 508661292 /nfs/dbraw/zinc/66/12/92/508661292.db2.gz LNPSZGWCSADWGX-UHFFFAOYSA-N 1 2 353.397 2.751 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3O)CC2)cc1 ZINC000123267947 508661295 /nfs/dbraw/zinc/66/12/95/508661295.db2.gz LNPSZGWCSADWGX-UHFFFAOYSA-N 1 2 353.397 2.751 20 30 FFEDLO C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000154036658 508703479 /nfs/dbraw/zinc/70/34/79/508703479.db2.gz WDUVAFAKLRLIFX-GOSISDBHSA-N 1 2 362.433 2.820 20 30 FFEDLO C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000154036658 508703483 /nfs/dbraw/zinc/70/34/83/508703483.db2.gz WDUVAFAKLRLIFX-GOSISDBHSA-N 1 2 362.433 2.820 20 30 FFEDLO CC(C)CCOCC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000154340223 508764303 /nfs/dbraw/zinc/76/43/03/508764303.db2.gz JSHPKWBMZFUORP-UHFFFAOYSA-N 1 2 358.442 2.991 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000119496890 508807432 /nfs/dbraw/zinc/80/74/32/508807432.db2.gz FLYSISILJQYJMI-DOTOQJQBSA-N 1 2 352.438 2.540 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000154590803 508814878 /nfs/dbraw/zinc/81/48/78/508814878.db2.gz ACNRIPMODRDCNI-SFHVURJKSA-N 1 2 372.513 2.958 20 30 FFEDLO Cc1cc(Br)cn2c(CN3CCN(C4CC4)[C@@H](C#N)C3)c[nH+]c12 ZINC000369463080 512422763 /nfs/dbraw/zinc/42/27/63/512422763.db2.gz NMDNRCRUEILGBX-HNNXBMFYSA-N 1 2 374.286 2.577 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155033460 508908717 /nfs/dbraw/zinc/90/87/17/508908717.db2.gz DORLSAVLXJSVTP-NSHDSACASA-N 1 2 365.359 2.770 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155033460 508908722 /nfs/dbraw/zinc/90/87/22/508908722.db2.gz DORLSAVLXJSVTP-NSHDSACASA-N 1 2 365.359 2.770 20 30 FFEDLO Cc1ccccc1CC(=O)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000155116603 508927107 /nfs/dbraw/zinc/92/71/07/508927107.db2.gz MZBPRHNZUXAYMP-UHFFFAOYSA-N 1 2 363.461 2.632 20 30 FFEDLO C=CCOc1ccccc1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160148428 508946314 /nfs/dbraw/zinc/94/63/14/508946314.db2.gz OPLIVMMWRDCIGW-UHFFFAOYSA-N 1 2 366.465 2.674 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3ccc(F)c(C#N)c3)CC2)C1 ZINC000120502030 509009096 /nfs/dbraw/zinc/00/90/96/509009096.db2.gz DXBBWJVWVODPES-APWZRJJASA-N 1 2 372.488 2.510 20 30 FFEDLO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000155502805 509014235 /nfs/dbraw/zinc/01/42/35/509014235.db2.gz YQKLZZXOQBMNNA-UHFFFAOYSA-N 1 2 355.442 2.639 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(Br)cn1C ZINC000151472309 509024021 /nfs/dbraw/zinc/02/40/21/509024021.db2.gz RPWPIWYWJQIVRZ-MLGOLLRUSA-N 1 2 369.307 2.662 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Br)cn1C ZINC000151472309 509024022 /nfs/dbraw/zinc/02/40/22/509024022.db2.gz RPWPIWYWJQIVRZ-MLGOLLRUSA-N 1 2 369.307 2.662 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CSc1ccc(C#N)cc1 ZINC000155549994 509024402 /nfs/dbraw/zinc/02/44/02/509024402.db2.gz CXWKMUMIVSVYOO-UHFFFAOYSA-N 1 2 368.462 2.829 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3cc(C)on3)CC2)cc1OC ZINC000120599286 509029442 /nfs/dbraw/zinc/02/94/42/509029442.db2.gz GQQDNJBEQZKLNG-UHFFFAOYSA-N 1 2 357.454 2.874 20 30 FFEDLO CCO[C@@H]1C[C@@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C12CCC2 ZINC000120797013 509066726 /nfs/dbraw/zinc/06/67/26/509066726.db2.gz YDADUEPKVWQNMW-QZTJIDSGSA-N 1 2 362.495 2.611 20 30 FFEDLO CCO[C@@H]1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C12CCC2 ZINC000120797013 509066727 /nfs/dbraw/zinc/06/67/27/509066727.db2.gz YDADUEPKVWQNMW-QZTJIDSGSA-N 1 2 362.495 2.611 20 30 FFEDLO N#Cc1ccc(NC(=O)C[NH+]2CCN(c3cccc(O)c3)CC2)cc1Cl ZINC000120903139 509086456 /nfs/dbraw/zinc/08/64/56/509086456.db2.gz UNWXHNXCMCMCKK-UHFFFAOYSA-N 1 2 370.840 2.678 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161662672 509140616 /nfs/dbraw/zinc/14/06/16/509140616.db2.gz GXNBOKINGNLKJW-XHDPSFHLSA-N 1 2 355.360 2.520 20 30 FFEDLO N#Cc1ccc(F)c(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000162175146 509175101 /nfs/dbraw/zinc/17/51/01/509175101.db2.gz NSXYNIDZFDVBPG-OAHLLOKOSA-N 1 2 362.202 2.776 20 30 FFEDLO CCOC(=O)c1cnc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)s1 ZINC000121570941 509178692 /nfs/dbraw/zinc/17/86/92/509178692.db2.gz FKMVIBQGABYRSK-UHFFFAOYSA-N 1 2 374.441 2.653 20 30 FFEDLO N#Cc1ccccc1OCC[N@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000121598785 509179237 /nfs/dbraw/zinc/17/92/37/509179237.db2.gz HVYNHRABEYSFGF-IRXDYDNUSA-N 1 2 358.463 2.823 20 30 FFEDLO N#Cc1ccccc1OCC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000121598785 509179238 /nfs/dbraw/zinc/17/92/38/509179238.db2.gz HVYNHRABEYSFGF-IRXDYDNUSA-N 1 2 358.463 2.823 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CSC[C@@H]3CCCCO3)CC2)cc1 ZINC000263846467 509182661 /nfs/dbraw/zinc/18/26/61/509182661.db2.gz LAEHVYLVENFMAQ-IBGZPJMESA-N 1 2 373.522 2.505 20 30 FFEDLO Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000266791648 509196871 /nfs/dbraw/zinc/19/68/71/509196871.db2.gz BGASJZDWXCDBJW-HXUWFJFHSA-N 1 2 367.424 2.870 20 30 FFEDLO Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000266791648 509196878 /nfs/dbraw/zinc/19/68/78/509196878.db2.gz BGASJZDWXCDBJW-HXUWFJFHSA-N 1 2 367.424 2.870 20 30 FFEDLO C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000216381154 509259765 /nfs/dbraw/zinc/25/97/65/509259765.db2.gz GMQWWZQATCSINJ-GHTZIAJQSA-N 1 2 368.525 2.954 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccccc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182622919 509337890 /nfs/dbraw/zinc/33/78/90/509337890.db2.gz AJYBJUYWJOLRQF-IBGZPJMESA-N 1 2 362.433 2.624 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccccc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182622919 509337896 /nfs/dbraw/zinc/33/78/96/509337896.db2.gz AJYBJUYWJOLRQF-IBGZPJMESA-N 1 2 362.433 2.624 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)Nc1cc(C#N)ccc1C ZINC000192128936 509361027 /nfs/dbraw/zinc/36/10/27/509361027.db2.gz HZDASGSVQZWLSB-UHFFFAOYSA-N 1 2 367.453 2.503 20 30 FFEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCCNc1cccc[nH+]1 ZINC000264179217 509365852 /nfs/dbraw/zinc/36/58/52/509365852.db2.gz NWTRCCRVGJBZFS-UHFFFAOYSA-N 1 2 367.453 2.612 20 30 FFEDLO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)c(Cl)c1O ZINC000186039930 509496405 /nfs/dbraw/zinc/49/64/05/509496405.db2.gz DELVQTBUTWWEJT-UZMFJHSZSA-N 1 2 370.236 2.876 20 30 FFEDLO CO[C@H](C)c1nc(CN2CCC[N@H+](C[C@@H](C#N)CCC#N)CC2)cs1 ZINC000267646729 509581325 /nfs/dbraw/zinc/58/13/25/509581325.db2.gz KPWWYLONDSMMEA-HZPDHXFCSA-N 1 2 361.515 2.802 20 30 FFEDLO CO[C@H](C)c1nc(CN2CCC[N@@H+](C[C@@H](C#N)CCC#N)CC2)cs1 ZINC000267646729 509581330 /nfs/dbraw/zinc/58/13/30/509581330.db2.gz KPWWYLONDSMMEA-HZPDHXFCSA-N 1 2 361.515 2.802 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000249110085 509607533 /nfs/dbraw/zinc/60/75/33/509607533.db2.gz RDLDRQREUHLIRB-FUHWJXTLSA-N 1 2 357.360 2.717 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000249110085 509607538 /nfs/dbraw/zinc/60/75/38/509607538.db2.gz RDLDRQREUHLIRB-FUHWJXTLSA-N 1 2 357.360 2.717 20 30 FFEDLO N#Cc1ccc(C2(C(=O)N3CCC[N@H+](Cc4cscn4)CC3)CC2)cc1 ZINC000189624652 509669208 /nfs/dbraw/zinc/66/92/08/509669208.db2.gz GBQGQRPQPBXDOE-UHFFFAOYSA-N 1 2 366.490 2.781 20 30 FFEDLO N#Cc1ccc(C2(C(=O)N3CCC[N@@H+](Cc4cscn4)CC3)CC2)cc1 ZINC000189624652 509669218 /nfs/dbraw/zinc/66/92/18/509669218.db2.gz GBQGQRPQPBXDOE-UHFFFAOYSA-N 1 2 366.490 2.781 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000249456969 509685967 /nfs/dbraw/zinc/68/59/67/509685967.db2.gz PSRLLRGUTMRXDL-ULQDDVLXSA-N 1 2 363.502 2.723 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000249456969 509685970 /nfs/dbraw/zinc/68/59/70/509685970.db2.gz PSRLLRGUTMRXDL-ULQDDVLXSA-N 1 2 363.502 2.723 20 30 FFEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000180062384 509731638 /nfs/dbraw/zinc/73/16/38/509731638.db2.gz GWXOGORDPZDIJF-MRXNPFEDSA-N 1 2 365.437 2.722 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000183365758 509741712 /nfs/dbraw/zinc/74/17/12/509741712.db2.gz BEPAETLKAKGQAC-SFHVURJKSA-N 1 2 374.437 2.624 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000183365758 509741717 /nfs/dbraw/zinc/74/17/17/509741717.db2.gz BEPAETLKAKGQAC-SFHVURJKSA-N 1 2 374.437 2.624 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)C[C@@H](C)C#N ZINC000249981462 509784659 /nfs/dbraw/zinc/78/46/59/509784659.db2.gz ALGTYDTWCYSVAI-RDJZCZTQSA-N 1 2 359.470 2.849 20 30 FFEDLO CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)C[C@@H](C)C#N ZINC000249981462 509784668 /nfs/dbraw/zinc/78/46/68/509784668.db2.gz ALGTYDTWCYSVAI-RDJZCZTQSA-N 1 2 359.470 2.849 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)C[C@H](C)C#N ZINC000250639806 509803166 /nfs/dbraw/zinc/80/31/66/509803166.db2.gz SOSZRBDTDALKEK-AEFFLSMTSA-N 1 2 371.481 2.993 20 30 FFEDLO CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)C[C@H](C)C#N ZINC000250639806 509803174 /nfs/dbraw/zinc/80/31/74/509803174.db2.gz SOSZRBDTDALKEK-AEFFLSMTSA-N 1 2 371.481 2.993 20 30 FFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170838003 509803278 /nfs/dbraw/zinc/80/32/78/509803278.db2.gz LARHVRKZEGQEDF-UHFFFAOYSA-N 1 2 358.486 2.589 20 30 FFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170838003 509803286 /nfs/dbraw/zinc/80/32/86/509803286.db2.gz LARHVRKZEGQEDF-UHFFFAOYSA-N 1 2 358.486 2.589 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c(C#N)c1C ZINC000186667210 509837990 /nfs/dbraw/zinc/83/79/90/509837990.db2.gz JDTKOGSHPMQRQK-HXUWFJFHSA-N 1 2 351.406 2.838 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c(C#N)c1C ZINC000186667210 509837996 /nfs/dbraw/zinc/83/79/96/509837996.db2.gz JDTKOGSHPMQRQK-HXUWFJFHSA-N 1 2 351.406 2.838 20 30 FFEDLO O=C(C[NH+]1CCN(CC#Cc2ccc(Cl)cc2)CC1)NC1CCCCC1 ZINC000177117273 509882689 /nfs/dbraw/zinc/88/26/89/509882689.db2.gz OFLDJPZVPOFMKY-UHFFFAOYSA-N 1 2 373.928 2.758 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245412303 509912917 /nfs/dbraw/zinc/91/29/17/509912917.db2.gz AIRVHWXVHSUSFE-OTYXRUKQSA-N 1 2 361.751 2.538 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245412303 509912919 /nfs/dbraw/zinc/91/29/19/509912919.db2.gz AIRVHWXVHSUSFE-OTYXRUKQSA-N 1 2 361.751 2.538 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2cnccn2)c1 ZINC000177237930 509954556 /nfs/dbraw/zinc/95/45/56/509954556.db2.gz UYJVMDDWTIKOGE-QGZVFWFLSA-N 1 2 351.454 2.861 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc2cnccn2)c1 ZINC000177237930 509954561 /nfs/dbraw/zinc/95/45/61/509954561.db2.gz UYJVMDDWTIKOGE-QGZVFWFLSA-N 1 2 351.454 2.861 20 30 FFEDLO N#CCN1CC[NH+](Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000174136453 509964051 /nfs/dbraw/zinc/96/40/51/509964051.db2.gz NHPBRUBILOGJSI-UHFFFAOYSA-N 1 2 356.857 2.955 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000245505520 509972007 /nfs/dbraw/zinc/97/20/07/509972007.db2.gz GBKWMGGCYVPPCJ-VGSWGCGISA-N 1 2 367.493 2.891 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000245505520 509972010 /nfs/dbraw/zinc/97/20/10/509972010.db2.gz GBKWMGGCYVPPCJ-VGSWGCGISA-N 1 2 367.493 2.891 20 30 FFEDLO Cc1ccc([C@H](CNc2nccc(C#N)c2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000268505499 509975018 /nfs/dbraw/zinc/97/50/18/509975018.db2.gz QZJWKQUDWXTVQK-KRWDZBQOSA-N 1 2 367.409 2.655 20 30 FFEDLO N#Cc1ccc(F)c(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000174265155 510029969 /nfs/dbraw/zinc/02/99/69/510029969.db2.gz PBHFDKNCXSYEGB-HNNXBMFYSA-N 1 2 362.202 2.776 20 30 FFEDLO C=CC[C@H](C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000190286155 510044002 /nfs/dbraw/zinc/04/40/02/510044002.db2.gz BTZWSYNJLLXJFO-QUCCMNQESA-N 1 2 369.509 2.501 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000177433502 510055010 /nfs/dbraw/zinc/05/50/10/510055010.db2.gz UYEBMDQPLQGSBD-UHFFFAOYSA-N 1 2 368.437 2.640 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000183967753 510061078 /nfs/dbraw/zinc/06/10/78/510061078.db2.gz YJOZUOAAHFDEMW-OAHLLOKOSA-N 1 2 363.417 2.806 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cnn(Cc4ccccc4)c3)CC2)nc1 ZINC000193853141 510102309 /nfs/dbraw/zinc/10/23/09/510102309.db2.gz ZWIHTDDXVCRUET-UHFFFAOYSA-N 1 2 358.449 2.520 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000265533777 510103108 /nfs/dbraw/zinc/10/31/08/510103108.db2.gz VQFUWEODYJLMPG-QGZVFWFLSA-N 1 2 363.465 2.661 20 30 FFEDLO C=CCC[C@H](O)C[N@@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000245926902 510211915 /nfs/dbraw/zinc/21/19/15/510211915.db2.gz OTLCAAYAWPPODU-LSDHHAIUSA-N 1 2 356.260 2.922 20 30 FFEDLO C=CCC[C@H](O)C[N@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000245926902 510211920 /nfs/dbraw/zinc/21/19/20/510211920.db2.gz OTLCAAYAWPPODU-LSDHHAIUSA-N 1 2 356.260 2.922 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000269090954 510231298 /nfs/dbraw/zinc/23/12/98/510231298.db2.gz KKCSSBNITQDAAI-UHFFFAOYSA-N 1 2 364.405 2.747 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000269090954 510231303 /nfs/dbraw/zinc/23/13/03/510231303.db2.gz KKCSSBNITQDAAI-UHFFFAOYSA-N 1 2 364.405 2.747 20 30 FFEDLO CC1CCN(c2ccc(CNC(=O)c3ccc(C#N)c(O)c3)c[nH+]2)CC1 ZINC000190675226 510277789 /nfs/dbraw/zinc/27/77/89/510277789.db2.gz AGFOXEHCJJXBQS-UHFFFAOYSA-N 1 2 350.422 2.825 20 30 FFEDLO CC(C)(C#N)CCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000174808203 510322420 /nfs/dbraw/zinc/32/24/20/510322420.db2.gz JZNMDEARLRRMCJ-UHFFFAOYSA-N 1 2 369.918 2.976 20 30 FFEDLO Cn1c(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)nnc1C1CCC1 ZINC000181263331 510327006 /nfs/dbraw/zinc/32/70/06/510327006.db2.gz MZENVXASWJYXOG-UHFFFAOYSA-N 1 2 351.454 2.998 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000246299949 510414202 /nfs/dbraw/zinc/41/42/02/510414202.db2.gz BXYGMCNCEHTMQO-LSBZLQRGSA-N 1 2 358.463 2.821 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000246299949 510414208 /nfs/dbraw/zinc/41/42/08/510414208.db2.gz BXYGMCNCEHTMQO-LSBZLQRGSA-N 1 2 358.463 2.821 20 30 FFEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)cs1 ZINC000178144629 510455273 /nfs/dbraw/zinc/45/52/73/510455273.db2.gz DRPIJZWRSCZLDD-OLZOCXBDSA-N 1 2 360.483 2.591 20 30 FFEDLO C=CCOCCCC(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000266241553 510479294 /nfs/dbraw/zinc/47/92/94/510479294.db2.gz PEPSJWSNIAPJFT-UHFFFAOYSA-N 1 2 370.497 2.578 20 30 FFEDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000175118047 510488753 /nfs/dbraw/zinc/48/87/53/510488753.db2.gz BUKDWAGFYFMXHH-UHFFFAOYSA-N 1 2 367.409 2.582 20 30 FFEDLO C=CC[N@@H+](CCOC)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000191115070 510510568 /nfs/dbraw/zinc/51/05/68/510510568.db2.gz AOIKQJZBDAQJFR-INIZCTEOSA-N 1 2 357.410 2.685 20 30 FFEDLO C=CC[N@H+](CCOC)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000191115070 510510581 /nfs/dbraw/zinc/51/05/81/510510581.db2.gz AOIKQJZBDAQJFR-INIZCTEOSA-N 1 2 357.410 2.685 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1nc(CC(=O)OC)cs1)Cc1cccs1 ZINC000181633171 510513289 /nfs/dbraw/zinc/51/32/89/510513289.db2.gz PEAZMRMKCHPMAW-UHFFFAOYSA-N 1 2 365.480 2.547 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1nc(CC(=O)OC)cs1)Cc1cccs1 ZINC000181633171 510513295 /nfs/dbraw/zinc/51/32/95/510513295.db2.gz PEAZMRMKCHPMAW-UHFFFAOYSA-N 1 2 365.480 2.547 20 30 FFEDLO CSc1cccc(C)c1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000185018767 510638283 /nfs/dbraw/zinc/63/82/83/510638283.db2.gz ABFBXYFDEIMRBC-UHFFFAOYSA-N 1 2 362.499 2.797 20 30 FFEDLO C=CCn1c(SCC[N@@H+]2CCO[C@H](C)C2)nnc1-c1ccccc1OC ZINC000188248521 510668724 /nfs/dbraw/zinc/66/87/24/510668724.db2.gz KOODTLBPKMRUNA-OAHLLOKOSA-N 1 2 374.510 2.953 20 30 FFEDLO C=CCn1c(SCC[N@H+]2CCO[C@H](C)C2)nnc1-c1ccccc1OC ZINC000188248521 510668729 /nfs/dbraw/zinc/66/87/29/510668729.db2.gz KOODTLBPKMRUNA-OAHLLOKOSA-N 1 2 374.510 2.953 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185102786 510687821 /nfs/dbraw/zinc/68/78/21/510687821.db2.gz UWLSVPVRFYPNMG-CHWSQXEVSA-N 1 2 359.405 2.534 20 30 FFEDLO C=CCc1cc(C[NH+]2CCC(S(=O)(=O)CC)CC2)cc(OC)c1O ZINC000195156905 510692771 /nfs/dbraw/zinc/69/27/71/510692771.db2.gz JJQFMKVXWHGISN-UHFFFAOYSA-N 1 2 353.484 2.528 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCC(S(=O)(=O)CC)CC2)cc1OC ZINC000195163649 510696465 /nfs/dbraw/zinc/69/64/65/510696465.db2.gz ZZWQFTJBDASUCV-UHFFFAOYSA-N 1 2 353.484 2.659 20 30 FFEDLO C=C[C@H](CC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1)c1ccccc1 ZINC000195184360 510704907 /nfs/dbraw/zinc/70/49/07/510704907.db2.gz NQMHZYFXZMSIBN-HOHBBMLPSA-N 1 2 372.509 2.732 20 30 FFEDLO COCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc(C#N)c3)c2C1 ZINC000182016885 510712829 /nfs/dbraw/zinc/71/28/29/510712829.db2.gz YFDFYFWNMSHIFC-UHFFFAOYSA-N 1 2 371.462 2.711 20 30 FFEDLO COCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc(C#N)c3)c2C1 ZINC000182016885 510712832 /nfs/dbraw/zinc/71/28/32/510712832.db2.gz YFDFYFWNMSHIFC-UHFFFAOYSA-N 1 2 371.462 2.711 20 30 FFEDLO C[N@H+](Cc1ccc([S@](C)=O)cc1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000178791257 510774553 /nfs/dbraw/zinc/77/45/53/510774553.db2.gz KGPVRTDMSLIWSR-BCHFMIIMSA-N 1 2 367.474 2.533 20 30 FFEDLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000178791257 510774560 /nfs/dbraw/zinc/77/45/60/510774560.db2.gz KGPVRTDMSLIWSR-BCHFMIIMSA-N 1 2 367.474 2.533 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000178857998 510806726 /nfs/dbraw/zinc/80/67/26/510806726.db2.gz FFZILSDOKSFCIU-QGZVFWFLSA-N 1 2 365.495 2.817 20 30 FFEDLO C=CC[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000178857998 510806731 /nfs/dbraw/zinc/80/67/31/510806731.db2.gz FFZILSDOKSFCIU-QGZVFWFLSA-N 1 2 365.495 2.817 20 30 FFEDLO CC[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)C1 ZINC000329911006 510875338 /nfs/dbraw/zinc/87/53/38/510875338.db2.gz NNQXILHOYYHHPM-TWMKSMIVSA-N 1 2 365.497 2.805 20 30 FFEDLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000329914121 510875633 /nfs/dbraw/zinc/87/56/33/510875633.db2.gz PBAMYAVPEHKUSC-MAUKXSAKSA-N 1 2 355.486 2.948 20 30 FFEDLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000329914121 510875637 /nfs/dbraw/zinc/87/56/37/510875637.db2.gz PBAMYAVPEHKUSC-MAUKXSAKSA-N 1 2 355.486 2.948 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000275357429 510882512 /nfs/dbraw/zinc/88/25/12/510882512.db2.gz VTBACHMMWMAQFM-CZUORRHYSA-N 1 2 359.817 2.987 20 30 FFEDLO CC1CC(NC(=O)N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)C1 ZINC000330017847 510901613 /nfs/dbraw/zinc/90/16/13/510901613.db2.gz RVRPQBJPERIXNL-UHFFFAOYSA-N 1 2 361.877 2.818 20 30 FFEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330103210 510916342 /nfs/dbraw/zinc/91/63/42/510916342.db2.gz GRHPNERSAFKZTP-LPMFXHHGSA-N 1 2 362.426 2.662 20 30 FFEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330103210 510916345 /nfs/dbraw/zinc/91/63/45/510916345.db2.gz GRHPNERSAFKZTP-LPMFXHHGSA-N 1 2 362.426 2.662 20 30 FFEDLO COCc1noc([C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000285467919 510917820 /nfs/dbraw/zinc/91/78/20/510917820.db2.gz KKDFOKHPMBWECV-GFCCVEGCSA-N 1 2 360.389 2.831 20 30 FFEDLO CN(C(=O)C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1)C1(C#N)CCCCC1 ZINC000330197941 510935402 /nfs/dbraw/zinc/93/54/02/510935402.db2.gz SMYVDWDPFYLBBH-MRXNPFEDSA-N 1 2 374.460 2.749 20 30 FFEDLO CN(C(=O)C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1)C1(C#N)CCCCC1 ZINC000330197941 510935406 /nfs/dbraw/zinc/93/54/06/510935406.db2.gz SMYVDWDPFYLBBH-MRXNPFEDSA-N 1 2 374.460 2.749 20 30 FFEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@]1(c2ccccc2)CCCCC1=O ZINC000276486681 510940242 /nfs/dbraw/zinc/94/02/42/510940242.db2.gz UHABQYWTJOVZDX-SFTDATJTSA-N 1 2 353.466 2.765 20 30 FFEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@]1(c2ccccc2)CCCCC1=O ZINC000276486681 510940250 /nfs/dbraw/zinc/94/02/50/510940250.db2.gz UHABQYWTJOVZDX-SFTDATJTSA-N 1 2 353.466 2.765 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000330241133 510945376 /nfs/dbraw/zinc/94/53/76/510945376.db2.gz IVXAGWJFECXFJH-RYUDHWBXSA-N 1 2 360.849 2.794 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000330241133 510945385 /nfs/dbraw/zinc/94/53/85/510945385.db2.gz IVXAGWJFECXFJH-RYUDHWBXSA-N 1 2 360.849 2.794 20 30 FFEDLO CCN1CCN(C(=O)N[C@H](c2ncc(C)s2)C2CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330326653 510964488 /nfs/dbraw/zinc/96/44/88/510964488.db2.gz KGACHPALSNPMBS-CABCVRRESA-N 1 2 374.514 2.919 20 30 FFEDLO C[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@]1=O ZINC000277649186 510968719 /nfs/dbraw/zinc/96/87/19/510968719.db2.gz OCTOGZJNDWSKFB-IVCQMTBJSA-N 1 2 356.495 2.807 20 30 FFEDLO C[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@]1=O ZINC000277649186 510968723 /nfs/dbraw/zinc/96/87/23/510968723.db2.gz OCTOGZJNDWSKFB-IVCQMTBJSA-N 1 2 356.495 2.807 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2ccc(C(F)(F)F)cn2)cc1OC ZINC000277656994 510968933 /nfs/dbraw/zinc/96/89/33/510968933.db2.gz RKXBHRPXPRCZQL-UHFFFAOYSA-N 1 2 355.316 2.955 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285599027 510971597 /nfs/dbraw/zinc/97/15/97/510971597.db2.gz PLKSUCUDUYECAW-BLLLJJGKSA-N 1 2 355.360 2.665 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285599027 510971606 /nfs/dbraw/zinc/97/16/06/510971606.db2.gz PLKSUCUDUYECAW-BLLLJJGKSA-N 1 2 355.360 2.665 20 30 FFEDLO COCCSCCCO[NH+]=C(N)c1cc(Cl)c(OC)c(OC)c1 ZINC000278281509 510988301 /nfs/dbraw/zinc/98/83/01/510988301.db2.gz QEUWVFKAZYCKRN-UHFFFAOYSA-N 1 2 362.879 2.764 20 30 FFEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000278654040 511003353 /nfs/dbraw/zinc/00/33/53/511003353.db2.gz QAEMWQLCYUOGSZ-VQIMIIECSA-N 1 2 369.490 2.838 20 30 FFEDLO C[C@@H](CNC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)[NH+]1CCOCC1 ZINC000330630192 511003829 /nfs/dbraw/zinc/00/38/29/511003829.db2.gz CIZIEQIZRXVASN-AWEZNQCLSA-N 1 2 365.522 2.982 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000285923364 511016765 /nfs/dbraw/zinc/01/67/65/511016765.db2.gz LJRIGHAOTIIYPW-WBVHZDCISA-N 1 2 368.399 2.732 20 30 FFEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000286431696 511024955 /nfs/dbraw/zinc/02/49/55/511024955.db2.gz BRBFRORLJHTOAX-NRFANRHFSA-N 1 2 362.473 2.883 20 30 FFEDLO CSc1nc(C(C)C)nc(C)c1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000331033878 511038771 /nfs/dbraw/zinc/03/87/71/511038771.db2.gz KDGXOYJVVZFMMX-LBPRGKRZSA-N 1 2 352.504 2.656 20 30 FFEDLO CSc1nc(C(C)C)nc(C)c1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000331033878 511038774 /nfs/dbraw/zinc/03/87/74/511038774.db2.gz KDGXOYJVVZFMMX-LBPRGKRZSA-N 1 2 352.504 2.656 20 30 FFEDLO C=CC[C@H]1N(C(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)CCCC1(C)C ZINC000297745453 511055636 /nfs/dbraw/zinc/05/56/36/511055636.db2.gz KWTJPKBEDUYZIT-QGZVFWFLSA-N 1 2 358.486 2.640 20 30 FFEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000332554695 511084960 /nfs/dbraw/zinc/08/49/60/511084960.db2.gz RYBQLWVTKXPKLA-QWFCFKBJSA-N 1 2 354.498 2.658 20 30 FFEDLO C=CCC[C@@H](NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000289346132 511097985 /nfs/dbraw/zinc/09/79/85/511097985.db2.gz KXOQSVLBLKPDCV-QZTJIDSGSA-N 1 2 366.465 2.939 20 30 FFEDLO C=CCC[C@H](NC(=O)C(=O)N(C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000289404004 511100328 /nfs/dbraw/zinc/10/03/28/511100328.db2.gz QQNVHAWMAQEBFC-SFHVURJKSA-N 1 2 354.454 2.555 20 30 FFEDLO Cc1cnn([C@H]2CC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)c1 ZINC000290082768 511126795 /nfs/dbraw/zinc/12/67/95/511126795.db2.gz ZBLKCCOJSVERNX-HNNXBMFYSA-N 1 2 355.467 2.693 20 30 FFEDLO Cc1cnn([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)c1 ZINC000290082768 511126800 /nfs/dbraw/zinc/12/68/00/511126800.db2.gz ZBLKCCOJSVERNX-HNNXBMFYSA-N 1 2 355.467 2.693 20 30 FFEDLO C#CCO[C@H](C)C(=O)N(CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000294663389 511136049 /nfs/dbraw/zinc/13/60/49/511136049.db2.gz SDBIPIPAJRURSG-GOSISDBHSA-N 1 2 369.465 2.739 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000279640459 511157965 /nfs/dbraw/zinc/15/79/65/511157965.db2.gz AMQSNIFIUKOAEH-WIYYLYMNSA-N 1 2 365.477 2.992 20 30 FFEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000298169427 511196363 /nfs/dbraw/zinc/19/63/63/511196363.db2.gz CEQVAFJKAGIEOE-IEBWSBKVSA-N 1 2 366.465 2.507 20 30 FFEDLO C=C[C@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000291532621 511234862 /nfs/dbraw/zinc/23/48/62/511234862.db2.gz KLAHPSNQUJYIKU-SECBINFHSA-N 1 2 351.038 2.554 20 30 FFEDLO C[C@@]12CC[N@H+](CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C[C@@H]1C2(F)F ZINC000298287421 511235134 /nfs/dbraw/zinc/23/51/34/511235134.db2.gz OWGAGKGVVSBZBV-MAUKXSAKSA-N 1 2 371.391 2.660 20 30 FFEDLO C[C@@]12CC[N@@H+](CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C[C@@H]1C2(F)F ZINC000298287421 511235140 /nfs/dbraw/zinc/23/51/40/511235140.db2.gz OWGAGKGVVSBZBV-MAUKXSAKSA-N 1 2 371.391 2.660 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000362901046 511266550 /nfs/dbraw/zinc/26/65/50/511266550.db2.gz HZGXHUCXIQPFAF-LSDHHAIUSA-N 1 2 370.453 2.985 20 30 FFEDLO CCn1cc[nH+]c1CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000298466458 511293410 /nfs/dbraw/zinc/29/34/10/511293410.db2.gz OOEJQDFYFFCOOC-UHFFFAOYSA-N 1 2 353.426 2.528 20 30 FFEDLO C=CCOc1cccc(NC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)c1 ZINC000298475852 511297632 /nfs/dbraw/zinc/29/76/32/511297632.db2.gz PFDSCAOHHNARDQ-MRXNPFEDSA-N 1 2 358.442 2.866 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3noc(-c4ccsc4)n3)CC2)cc1 ZINC000298510772 511310151 /nfs/dbraw/zinc/31/01/51/511310151.db2.gz WAXISPLESGLABV-UHFFFAOYSA-N 1 2 365.462 2.988 20 30 FFEDLO N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)o1 ZINC000363037487 511313084 /nfs/dbraw/zinc/31/30/84/511313084.db2.gz GONAJAPAIABKQS-CQSZACIVSA-N 1 2 362.389 2.741 20 30 FFEDLO N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)o1 ZINC000363037487 511313089 /nfs/dbraw/zinc/31/30/89/511313089.db2.gz GONAJAPAIABKQS-CQSZACIVSA-N 1 2 362.389 2.741 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291737260 511316246 /nfs/dbraw/zinc/31/62/46/511316246.db2.gz JVLSSGFNDVHHPK-CYBMUJFWSA-N 1 2 356.438 2.853 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291737260 511316251 /nfs/dbraw/zinc/31/62/51/511316251.db2.gz JVLSSGFNDVHHPK-CYBMUJFWSA-N 1 2 356.438 2.853 20 30 FFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000295215980 511325079 /nfs/dbraw/zinc/32/50/79/511325079.db2.gz XGOUFTXAUWZGFS-AWEZNQCLSA-N 1 2 355.529 2.696 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c(C#N)c1C ZINC000291891896 511379656 /nfs/dbraw/zinc/37/96/56/511379656.db2.gz QTKIWNVEXYBNJD-FQEVSTJZSA-N 1 2 369.490 2.811 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c(C#N)c1C ZINC000291891896 511379660 /nfs/dbraw/zinc/37/96/60/511379660.db2.gz QTKIWNVEXYBNJD-FQEVSTJZSA-N 1 2 369.490 2.811 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000298739223 511394956 /nfs/dbraw/zinc/39/49/56/511394956.db2.gz JNDKPNBWQNVBER-AWEZNQCLSA-N 1 2 372.469 2.874 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1Cl ZINC000295493258 511423659 /nfs/dbraw/zinc/42/36/59/511423659.db2.gz KDINJOYXWKFMCU-UHFFFAOYSA-N 1 2 370.840 2.715 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cc1 ZINC000280543294 511504036 /nfs/dbraw/zinc/50/40/36/511504036.db2.gz PYVGMLALLOJMFO-LVCYWYKZSA-N 1 2 371.481 2.510 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cc1 ZINC000280543294 511504041 /nfs/dbraw/zinc/50/40/41/511504041.db2.gz PYVGMLALLOJMFO-LVCYWYKZSA-N 1 2 371.481 2.510 20 30 FFEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(F)c1 ZINC000292237393 511516553 /nfs/dbraw/zinc/51/65/53/511516553.db2.gz QAMBFQMJGKOIBS-HOCLYGCPSA-N 1 2 368.412 2.881 20 30 FFEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(F)c1 ZINC000292237393 511516557 /nfs/dbraw/zinc/51/65/57/511516557.db2.gz QAMBFQMJGKOIBS-HOCLYGCPSA-N 1 2 368.412 2.881 20 30 FFEDLO CCCC[C@@H](ON=C(C)C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000273457224 511526515 /nfs/dbraw/zinc/52/65/15/511526515.db2.gz PXTKEBDZAQVGLV-QGZVFWFLSA-N 1 2 362.474 2.506 20 30 FFEDLO CC(C)[C@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1[nH]cc[nH+]1 ZINC000295905867 511550725 /nfs/dbraw/zinc/55/07/25/511550725.db2.gz HFBDYNPGYXXBCM-ZDUSSCGKSA-N 1 2 372.372 2.976 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3nnc(-c4ccccn4)s3)CC2)cc1 ZINC000273622660 511553784 /nfs/dbraw/zinc/55/37/84/511553784.db2.gz OXYYYEAQHMESJC-UHFFFAOYSA-N 1 2 362.462 2.794 20 30 FFEDLO C=CCN1C(=O)N(CCc2cn3ccccc3[nH+]2)C(=O)[C@H]1Cc1ccccc1 ZINC000349244730 511596505 /nfs/dbraw/zinc/59/65/05/511596505.db2.gz SNSCEVQFHOCJNZ-LJQANCHMSA-N 1 2 374.444 2.938 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c(Cl)nc4ccccn43)C2)nc1 ZINC000292801995 511725838 /nfs/dbraw/zinc/72/58/38/511725838.db2.gz NPTVFZXYCJUBAY-CQSZACIVSA-N 1 2 353.813 2.908 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(Cl)nc4ccccn43)C2)nc1 ZINC000292801995 511725846 /nfs/dbraw/zinc/72/58/46/511725846.db2.gz NPTVFZXYCJUBAY-CQSZACIVSA-N 1 2 353.813 2.908 20 30 FFEDLO CC(C)(C)c1nnc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[nH]1 ZINC000292855159 511746889 /nfs/dbraw/zinc/74/68/89/511746889.db2.gz GMYSRZKUGXWSMG-UHFFFAOYSA-N 1 2 366.469 2.825 20 30 FFEDLO Cc1cc(Br)cn2cc(CNC(=O)N(C)C[C@@H](C)C#N)[nH+]c12 ZINC000274246361 511766120 /nfs/dbraw/zinc/76/61/20/511766120.db2.gz SENTXYCIMDVNKV-JTQLQIEISA-N 1 2 364.247 2.706 20 30 FFEDLO N#C[C@@H]1N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CCC[C@]12CCCCO2 ZINC000366184253 511886124 /nfs/dbraw/zinc/88/61/24/511886124.db2.gz OXOZSMUPNKBRBX-AZUAARDMSA-N 1 2 350.422 2.940 20 30 FFEDLO CN1CC[NH+](Cc2cccc(NC(=O)c3cn4c(n3)CCCC4)c2)CC1 ZINC000328708014 511918586 /nfs/dbraw/zinc/91/85/86/511918586.db2.gz MCPXGNHIPIDZMV-UHFFFAOYSA-N 1 2 353.470 2.603 20 30 FFEDLO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000328767962 511929541 /nfs/dbraw/zinc/92/95/41/511929541.db2.gz FWWWDBFSFQWMBI-HWWQOWPSSA-N 1 2 351.397 2.903 20 30 FFEDLO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000328767962 511929546 /nfs/dbraw/zinc/92/95/46/511929546.db2.gz FWWWDBFSFQWMBI-HWWQOWPSSA-N 1 2 351.397 2.903 20 30 FFEDLO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)[C@@H]1CCNC1=O ZINC000328892344 511946391 /nfs/dbraw/zinc/94/63/91/511946391.db2.gz UDLRVPFUEALOSV-OWOQWNNFSA-N 1 2 362.474 2.875 20 30 FFEDLO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)[C@@H]1CCNC1=O ZINC000328892344 511946396 /nfs/dbraw/zinc/94/63/96/511946396.db2.gz UDLRVPFUEALOSV-OWOQWNNFSA-N 1 2 362.474 2.875 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)N[C@H]3CCCC[C@H]3C)CC[C@@H]21 ZINC000328967182 511958508 /nfs/dbraw/zinc/95/85/08/511958508.db2.gz NHMBCZGULXTPCE-UUAJXVIYSA-N 1 2 350.507 2.991 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)N[C@H]3CCCC[C@H]3C)CC[C@@H]21 ZINC000328967182 511958513 /nfs/dbraw/zinc/95/85/13/511958513.db2.gz NHMBCZGULXTPCE-UUAJXVIYSA-N 1 2 350.507 2.991 20 30 FFEDLO C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)CCC1=O ZINC000328977490 511960192 /nfs/dbraw/zinc/96/01/92/511960192.db2.gz DIYZMMPTMWQHFK-FCIKYMEBSA-N 1 2 372.469 2.576 20 30 FFEDLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)NCc1ccc(Cl)s1 ZINC000328979021 511961022 /nfs/dbraw/zinc/96/10/22/511961022.db2.gz QYEHSUWJAYDBET-MJBXVCDLSA-N 1 2 358.891 2.720 20 30 FFEDLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)NCc1ccc(Cl)s1 ZINC000328979021 511961026 /nfs/dbraw/zinc/96/10/26/511961026.db2.gz QYEHSUWJAYDBET-MJBXVCDLSA-N 1 2 358.891 2.720 20 30 FFEDLO CCc1ncsc1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000328998043 511965120 /nfs/dbraw/zinc/96/51/20/511965120.db2.gz GYHLPJNHVYTIEZ-CZUORRHYSA-N 1 2 373.482 2.638 20 30 FFEDLO O=C(NC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1)c1ccsc1 ZINC000329006729 511965767 /nfs/dbraw/zinc/96/57/67/511965767.db2.gz XYFMSBJVTIYFHR-CYBMUJFWSA-N 1 2 358.467 2.503 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)NCc3ccc(Cl)s3)CC[C@@H]21 ZINC000329041405 511972277 /nfs/dbraw/zinc/97/22/77/511972277.db2.gz SVCJMCINHNGGSF-OLZOCXBDSA-N 1 2 370.906 2.939 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)NCc3ccc(Cl)s3)CC[C@@H]21 ZINC000329041405 511972280 /nfs/dbraw/zinc/97/22/80/511972280.db2.gz SVCJMCINHNGGSF-OLZOCXBDSA-N 1 2 370.906 2.939 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)Cc2ccsc2)CCC(=O)N1C1CC1 ZINC000329044550 511973603 /nfs/dbraw/zinc/97/36/03/511973603.db2.gz UJXATLMISUSCTR-RDTXWAMCSA-N 1 2 358.467 2.875 20 30 FFEDLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)o1 ZINC000364134024 511975424 /nfs/dbraw/zinc/97/54/24/511975424.db2.gz DEPPAOVJPJYLHC-SFHVURJKSA-N 1 2 353.422 2.751 20 30 FFEDLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)o1 ZINC000364134024 511975433 /nfs/dbraw/zinc/97/54/33/511975433.db2.gz DEPPAOVJPJYLHC-SFHVURJKSA-N 1 2 353.422 2.751 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)C[C@@H](C)C#N ZINC000364158079 511988777 /nfs/dbraw/zinc/98/87/77/511988777.db2.gz SNXGSDKPRSWYOV-YJBOKZPZSA-N 1 2 359.470 2.849 20 30 FFEDLO CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)C[C@@H](C)C#N ZINC000364158079 511988782 /nfs/dbraw/zinc/98/87/82/511988782.db2.gz SNXGSDKPRSWYOV-YJBOKZPZSA-N 1 2 359.470 2.849 20 30 FFEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)[C@@H]3CCC[C@H]3O)n2)C1 ZINC000329154302 511994502 /nfs/dbraw/zinc/99/45/02/511994502.db2.gz BYDIAJRKQPMWHJ-NWANDNLSSA-N 1 2 352.504 2.766 20 30 FFEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)[C@@H]3CCC[C@H]3O)n2)C1 ZINC000329154302 511994507 /nfs/dbraw/zinc/99/45/07/511994507.db2.gz BYDIAJRKQPMWHJ-NWANDNLSSA-N 1 2 352.504 2.766 20 30 FFEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000329208765 512005357 /nfs/dbraw/zinc/00/53/57/512005357.db2.gz YUENAFRDXIKQGJ-STQMWFEESA-N 1 2 352.504 2.781 20 30 FFEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)C[C@@H](C)O1 ZINC000329305523 512024073 /nfs/dbraw/zinc/02/40/73/512024073.db2.gz AUPZYEXSCRXTKZ-LAFLPAGMSA-N 1 2 373.497 2.544 20 30 FFEDLO CC(C)(C)c1nc(=NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)s[nH]1 ZINC000329346864 512030479 /nfs/dbraw/zinc/03/04/79/512030479.db2.gz VIXCDNPFRURKHN-CQSZACIVSA-N 1 2 359.499 2.858 20 30 FFEDLO CC(C)(C)c1nc(=NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s[nH]1 ZINC000329346864 512030485 /nfs/dbraw/zinc/03/04/85/512030485.db2.gz VIXCDNPFRURKHN-CQSZACIVSA-N 1 2 359.499 2.858 20 30 FFEDLO C[C@H]([C@H](C)NC(=O)N1Cc2ccccc2OC(C)(C)C1)[NH+]1CCOCC1 ZINC000329352158 512031433 /nfs/dbraw/zinc/03/14/33/512031433.db2.gz XMOLTFXUUIIRCU-JKSUJKDBSA-N 1 2 361.486 2.683 20 30 FFEDLO Cc1ccc(NC(=O)C2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)nc1 ZINC000329381656 512037250 /nfs/dbraw/zinc/03/72/50/512037250.db2.gz QKHYTYJMUYSRFF-MRXNPFEDSA-N 1 2 367.453 2.676 20 30 FFEDLO C[C@H](O)[C@H]1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000329401105 512039290 /nfs/dbraw/zinc/03/92/90/512039290.db2.gz YABFOMTUDHRCOP-RDBSUJKOSA-N 1 2 352.504 2.623 20 30 FFEDLO C[C@H](O)[C@H]1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000329401105 512039298 /nfs/dbraw/zinc/03/92/98/512039298.db2.gz YABFOMTUDHRCOP-RDBSUJKOSA-N 1 2 352.504 2.623 20 30 FFEDLO CCC[C@H]1CCCCN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329403674 512041093 /nfs/dbraw/zinc/04/10/93/512041093.db2.gz CEVVIAFROMVCHR-KRWDZBQOSA-N 1 2 373.501 2.669 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000282008321 512043701 /nfs/dbraw/zinc/04/37/01/512043701.db2.gz WQDCIIMUXKZBMU-AEFFLSMTSA-N 1 2 352.438 2.871 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@H]1C1CCOCC1 ZINC000329452137 512049442 /nfs/dbraw/zinc/04/94/42/512049442.db2.gz LTFUDXXUJUKOPF-SFHVURJKSA-N 1 2 374.485 2.663 20 30 FFEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329475285 512054424 /nfs/dbraw/zinc/05/44/24/512054424.db2.gz OZMNMZFCIXEQPL-LJQANCHMSA-N 1 2 373.497 2.939 20 30 FFEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329475285 512054429 /nfs/dbraw/zinc/05/44/29/512054429.db2.gz OZMNMZFCIXEQPL-LJQANCHMSA-N 1 2 373.497 2.939 20 30 FFEDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000329502124 512059499 /nfs/dbraw/zinc/05/94/99/512059499.db2.gz KRGVHUPHAAMBJF-OAHLLOKOSA-N 1 2 359.451 2.748 20 30 FFEDLO Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@]23CCOC3)[NH+]2CCOCC2)s1 ZINC000329552903 512069044 /nfs/dbraw/zinc/06/90/44/512069044.db2.gz AVTRZLODGZMPIM-MPGHIAIKSA-N 1 2 350.484 2.813 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@]2(C)OCCc3sccc32)C1 ZINC000329733313 512091929 /nfs/dbraw/zinc/09/19/29/512091929.db2.gz QSZLBIYYZSMFLK-FZKQIMNGSA-N 1 2 360.483 2.673 20 30 FFEDLO Cc1oc2ccccc2c1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000329775828 512096162 /nfs/dbraw/zinc/09/61/62/512096162.db2.gz NJVWXHATTLBVDI-UHFFFAOYSA-N 1 2 369.465 2.990 20 30 FFEDLO COc1cccc(NC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000375699106 512461576 /nfs/dbraw/zinc/46/15/76/512461576.db2.gz WPZCICULKTXWFI-UHFFFAOYSA-N 1 2 350.422 2.586 20 30 FFEDLO C[C@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000411134463 512483776 /nfs/dbraw/zinc/48/37/76/512483776.db2.gz FRYPVBQYQKWGMK-MRXNPFEDSA-N 1 2 363.527 2.983 20 30 FFEDLO CC(C)([NH2+]Cc1cnc2ccc(C#N)cn12)c1cn(-c2ccccc2)nn1 ZINC000367439007 512499142 /nfs/dbraw/zinc/49/91/42/512499142.db2.gz QWWSFYNKSUZMFV-UHFFFAOYSA-N 1 2 357.421 2.812 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)CSCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000371703873 512535439 /nfs/dbraw/zinc/53/54/39/512535439.db2.gz QKIJYZPZLDOGFA-CJNGLKHVSA-N 1 2 357.401 2.612 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)CSCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000371703873 512535441 /nfs/dbraw/zinc/53/54/41/512535441.db2.gz QKIJYZPZLDOGFA-CJNGLKHVSA-N 1 2 357.401 2.612 20 30 FFEDLO CC(C)(CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)[NH+]1CCOCC1 ZINC000369757459 512593623 /nfs/dbraw/zinc/59/36/23/512593623.db2.gz MPFGWWRJYHVLEW-MOPGFXCFSA-N 1 2 370.497 2.579 20 30 FFEDLO CCOc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000369780039 512606509 /nfs/dbraw/zinc/60/65/09/512606509.db2.gz NLYHMAQAQQSTDF-KRWDZBQOSA-N 1 2 372.469 2.676 20 30 FFEDLO N#Cc1cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)ccc1OC(F)(F)F ZINC000374241573 512722931 /nfs/dbraw/zinc/72/29/31/512722931.db2.gz OADOJSFFKFJQTJ-SNVBAGLBSA-N 1 2 350.300 2.854 20 30 FFEDLO Cn1c[nH+]cc1CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000367972859 512747443 /nfs/dbraw/zinc/74/74/43/512747443.db2.gz MFBKYGVUUZCDLO-UHFFFAOYSA-N 1 2 371.872 2.868 20 30 FFEDLO COc1ccccc1[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000368006617 512760061 /nfs/dbraw/zinc/76/00/61/512760061.db2.gz NWTDAAHEBVDBSP-QGZVFWFLSA-N 1 2 371.462 2.573 20 30 FFEDLO COc1ccccc1[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000368006617 512760067 /nfs/dbraw/zinc/76/00/67/512760067.db2.gz NWTDAAHEBVDBSP-QGZVFWFLSA-N 1 2 371.462 2.573 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000378618575 512851773 /nfs/dbraw/zinc/85/17/73/512851773.db2.gz CZEWERBETDLLOB-RHSMWYFYSA-N 1 2 362.355 2.869 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000378618575 512851777 /nfs/dbraw/zinc/85/17/77/512851777.db2.gz CZEWERBETDLLOB-RHSMWYFYSA-N 1 2 362.355 2.869 20 30 FFEDLO CCCN1C(=O)CC[C@@H](C(=O)NCC(C)(C)CCC#N)[C@@H]1c1c[nH+]cn1C ZINC000376523459 512856356 /nfs/dbraw/zinc/85/63/56/512856356.db2.gz UXKPGKGAHUPVJK-CRAIPNDOSA-N 1 2 373.501 2.556 20 30 FFEDLO C[C@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000370295423 512863818 /nfs/dbraw/zinc/86/38/18/512863818.db2.gz WBTSGFNLFWDLEY-ZWKOTPCHSA-N 1 2 354.498 2.976 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000396386065 512940636 /nfs/dbraw/zinc/94/06/36/512940636.db2.gz PIIHVMGYEKLJNJ-QGZVFWFLSA-N 1 2 369.490 2.594 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000396386065 512940641 /nfs/dbraw/zinc/94/06/41/512940641.db2.gz PIIHVMGYEKLJNJ-QGZVFWFLSA-N 1 2 369.490 2.594 20 30 FFEDLO COC(=O)[C@]1(C)CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000412086172 512952574 /nfs/dbraw/zinc/95/25/74/512952574.db2.gz ZYHABDKEVWPORY-GOSISDBHSA-N 1 2 361.467 2.516 20 30 FFEDLO COC(=O)[C@]1(C)CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000412086172 512952577 /nfs/dbraw/zinc/95/25/77/512952577.db2.gz ZYHABDKEVWPORY-GOSISDBHSA-N 1 2 361.467 2.516 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)n1cnc(C#N)n1 ZINC000409487218 513112619 /nfs/dbraw/zinc/11/26/19/513112619.db2.gz QFWGFUWKVHUZRT-ZDUSSCGKSA-N 1 2 361.409 2.549 20 30 FFEDLO C=CCCn1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)nn1 ZINC000424606028 513202613 /nfs/dbraw/zinc/20/26/13/513202613.db2.gz IVPIBRPAPCLXEU-CYBMUJFWSA-N 1 2 360.487 2.795 20 30 FFEDLO C=CCCn1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)nn1 ZINC000424606028 513202616 /nfs/dbraw/zinc/20/26/16/513202616.db2.gz IVPIBRPAPCLXEU-CYBMUJFWSA-N 1 2 360.487 2.795 20 30 FFEDLO CC1(C)C[N@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@H](C(F)(F)F)O1 ZINC000428933810 513227781 /nfs/dbraw/zinc/22/77/81/513227781.db2.gz VJWRWPMLLWZIQP-CQSZACIVSA-N 1 2 355.360 2.929 20 30 FFEDLO CC1(C)C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@H](C(F)(F)F)O1 ZINC000428933810 513227788 /nfs/dbraw/zinc/22/77/88/513227788.db2.gz VJWRWPMLLWZIQP-CQSZACIVSA-N 1 2 355.360 2.929 20 30 FFEDLO CCC[N@H+](CC(N)=O)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000429136940 513287597 /nfs/dbraw/zinc/28/75/97/513287597.db2.gz XUUOSFDFTPNBNF-UHFFFAOYSA-N 1 2 373.501 2.618 20 30 FFEDLO CCC[N@@H+](CC(N)=O)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000429136940 513287602 /nfs/dbraw/zinc/28/76/02/513287602.db2.gz XUUOSFDFTPNBNF-UHFFFAOYSA-N 1 2 373.501 2.618 20 30 FFEDLO C=CCNC(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(C)[nH+]c2C)cc1 ZINC000446689575 513315702 /nfs/dbraw/zinc/31/57/02/513315702.db2.gz VVKRJHYLEMQQOB-UHFFFAOYSA-N 1 2 367.409 2.583 20 30 FFEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2ncc(C#N)cc2Cl)C1 ZINC000440650506 513371606 /nfs/dbraw/zinc/37/16/06/513371606.db2.gz SWCIGPWJAAQLDQ-QGZVFWFLSA-N 1 2 350.850 2.507 20 30 FFEDLO COc1cc2c(c(OC)c1OC)CCN(c1cc(C)[nH+]cc1C#N)CC2 ZINC000425238130 513468427 /nfs/dbraw/zinc/46/84/27/513468427.db2.gz MICBABVKGHTCCQ-UHFFFAOYSA-N 1 2 353.422 2.893 20 30 FFEDLO C[C@]1(F)CCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000451109086 513530342 /nfs/dbraw/zinc/53/03/42/513530342.db2.gz AGFWDKYIFMGSJD-KRWDZBQOSA-N 1 2 356.363 2.997 20 30 FFEDLO C[C@]1(F)CCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000451109086 513530349 /nfs/dbraw/zinc/53/03/49/513530349.db2.gz AGFWDKYIFMGSJD-KRWDZBQOSA-N 1 2 356.363 2.997 20 30 FFEDLO C=CC[N@H+](Cc1nc(C(F)F)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000425397337 513542553 /nfs/dbraw/zinc/54/25/53/513542553.db2.gz ANNQHSCAAGWFTL-NSHDSACASA-N 1 2 361.356 2.732 20 30 FFEDLO C=CC[N@@H+](Cc1nc(C(F)F)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000425397337 513542560 /nfs/dbraw/zinc/54/25/60/513542560.db2.gz ANNQHSCAAGWFTL-NSHDSACASA-N 1 2 361.356 2.732 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000425589383 513652786 /nfs/dbraw/zinc/65/27/86/513652786.db2.gz UAJZXKBMFLRXMJ-IECUYZFFSA-N 1 2 355.482 2.618 20 30 FFEDLO Cn1cc(C[NH2+]Cc2noc(-c3cccc(Br)c3)n2)cc1C#N ZINC000448271111 513723477 /nfs/dbraw/zinc/72/34/77/513723477.db2.gz PVOXCYMKZCKIRQ-UHFFFAOYSA-N 1 2 372.226 2.999 20 30 FFEDLO CC(C)([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1nnc2n1CCCC2 ZINC000451401575 513724888 /nfs/dbraw/zinc/72/48/88/513724888.db2.gz FZRMQDXYDHNUTR-UHFFFAOYSA-N 1 2 372.860 2.603 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451425971 513744100 /nfs/dbraw/zinc/74/41/00/513744100.db2.gz HQYYHBRGXJQFLR-SJKOYZFVSA-N 1 2 369.437 2.721 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451425971 513744105 /nfs/dbraw/zinc/74/41/05/513744105.db2.gz HQYYHBRGXJQFLR-SJKOYZFVSA-N 1 2 369.437 2.721 20 30 FFEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nccs1 ZINC000413636203 513744962 /nfs/dbraw/zinc/74/49/62/513744962.db2.gz UIUPYOFTEGWDSF-AWEZNQCLSA-N 1 2 355.467 2.603 20 30 FFEDLO C=CCOc1ccc(CC(=O)N2CCN(c3c[nH+]ccc3C)CC2)cc1 ZINC000451430758 513747150 /nfs/dbraw/zinc/74/71/50/513747150.db2.gz NUZQZBPCEYMTQV-UHFFFAOYSA-N 1 2 351.450 2.846 20 30 FFEDLO C[C@H](C(=O)N[C@@H](C#N)c1ccc(Br)cc1)[NH+]1CCSCC1 ZINC000442902282 513808775 /nfs/dbraw/zinc/80/87/75/513808775.db2.gz QDDFJEMRMPMTDL-RISCZKNCSA-N 1 2 368.300 2.567 20 30 FFEDLO C[C@@H](C(=O)N[C@H](C#N)c1ccc(Br)cc1)[NH+]1CCSCC1 ZINC000442902283 513808818 /nfs/dbraw/zinc/80/88/18/513808818.db2.gz QDDFJEMRMPMTDL-SMDDNHRTSA-N 1 2 368.300 2.567 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451654984 513891245 /nfs/dbraw/zinc/89/12/45/513891245.db2.gz PYJQSEIHBMFGHW-QGZVFWFLSA-N 1 2 367.478 2.510 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451654984 513891251 /nfs/dbraw/zinc/89/12/51/513891251.db2.gz PYJQSEIHBMFGHW-QGZVFWFLSA-N 1 2 367.478 2.510 20 30 FFEDLO CC[C@@H](c1nnc(SC[C@@H](O)C[N@H+](C)CCC#N)o1)c1ccccc1 ZINC000414151142 513990950 /nfs/dbraw/zinc/99/09/50/513990950.db2.gz PRAUVPVYJBXWQB-JKSUJKDBSA-N 1 2 360.483 2.910 20 30 FFEDLO CC[C@@H](c1nnc(SC[C@@H](O)C[N@@H+](C)CCC#N)o1)c1ccccc1 ZINC000414151142 513990958 /nfs/dbraw/zinc/99/09/58/513990958.db2.gz PRAUVPVYJBXWQB-JKSUJKDBSA-N 1 2 360.483 2.910 20 30 FFEDLO C[C@H]([C@H](C)NC(=O)N[C@H](CCCC#N)c1ccccc1)[NH+]1CCOCC1 ZINC000431982578 514057792 /nfs/dbraw/zinc/05/77/92/514057792.db2.gz BTHXPQILOLTYBB-YQVWRLOYSA-N 1 2 358.486 2.830 20 30 FFEDLO Cc1cc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)ccc1C#N ZINC000443943287 514078007 /nfs/dbraw/zinc/07/80/07/514078007.db2.gz DXFCPGZOMZJHKL-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cscc3C#N)CC2)cc1 ZINC000432064125 514080672 /nfs/dbraw/zinc/08/06/72/514080672.db2.gz SLIOUSVUROFIQW-UHFFFAOYSA-N 1 2 355.463 2.976 20 30 FFEDLO C[C@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)c2cc(F)ccc2C[NH2+]1 ZINC000420464999 514159251 /nfs/dbraw/zinc/15/92/51/514159251.db2.gz UYQGWQBJMVYYBN-ZDUSSCGKSA-N 1 2 359.426 2.525 20 30 FFEDLO C=CC[N@H+](Cc1nnc(C(C)(C)C)[nH]1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000432834660 514296708 /nfs/dbraw/zinc/29/67/08/514296708.db2.gz CVTYRVKARYISOV-AWEZNQCLSA-N 1 2 366.473 2.827 20 30 FFEDLO C=CC[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000432834660 514296712 /nfs/dbraw/zinc/29/67/12/514296712.db2.gz CVTYRVKARYISOV-AWEZNQCLSA-N 1 2 366.473 2.827 20 30 FFEDLO N#Cc1csc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)c1 ZINC000438267489 514340606 /nfs/dbraw/zinc/34/06/06/514340606.db2.gz ARVSTEWLJUHXQO-UHFFFAOYSA-N 1 2 361.224 2.960 20 30 FFEDLO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000424122501 514389505 /nfs/dbraw/zinc/38/95/05/514389505.db2.gz IXSVQDZDICZAJA-INIZCTEOSA-N 1 2 359.499 2.947 20 30 FFEDLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433298683 514449902 /nfs/dbraw/zinc/44/99/02/514449902.db2.gz PIARJDKPPVFZNZ-UHFFFAOYSA-N 1 2 358.305 2.951 20 30 FFEDLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433298683 514449905 /nfs/dbraw/zinc/44/99/05/514449905.db2.gz PIARJDKPPVFZNZ-UHFFFAOYSA-N 1 2 358.305 2.951 20 30 FFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N(CCOC)Cc1ccc(C#N)cc1 ZINC000455452725 514531527 /nfs/dbraw/zinc/53/15/27/514531527.db2.gz BBGYIKDKIXMZNS-HNNXBMFYSA-N 1 2 355.442 2.694 20 30 FFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000455468191 514541994 /nfs/dbraw/zinc/54/19/94/514541994.db2.gz NJBXWDVWBKIWGS-YOEHRIQHSA-N 1 2 353.426 2.619 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cccc(C#N)c2Br)C1 ZINC000450241264 514559425 /nfs/dbraw/zinc/55/94/25/514559425.db2.gz GFRLIKVZWORUOM-LBPRGKRZSA-N 1 2 359.227 2.684 20 30 FFEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000475185357 514580878 /nfs/dbraw/zinc/58/08/78/514580878.db2.gz IDLCDDBJEPEZQW-MRXNPFEDSA-N 1 2 366.465 2.805 20 30 FFEDLO C=CCOCCC[NH+]1CCN(S(=O)(=O)c2ccc(CCC)cc2)CC1 ZINC000470724333 514585527 /nfs/dbraw/zinc/58/55/27/514585527.db2.gz SUELHPGVCVPUOC-UHFFFAOYSA-N 1 2 366.527 2.538 20 30 FFEDLO COC(=O)CC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000497728173 514612582 /nfs/dbraw/zinc/61/25/82/514612582.db2.gz SHFNJILXSMBGGF-UHFFFAOYSA-N 1 2 361.467 2.516 20 30 FFEDLO C[C@H](C(=O)N1CCCCC1)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471006687 514713991 /nfs/dbraw/zinc/71/39/91/514713991.db2.gz OEXWWYIFUPXFCG-VQIMIIECSA-N 1 2 374.916 2.923 20 30 FFEDLO CC(C)CNC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471009905 514715447 /nfs/dbraw/zinc/71/54/47/514715447.db2.gz WVESVWKQNQMRGS-MAUKXSAKSA-N 1 2 362.905 2.683 20 30 FFEDLO C[C@H]([C@H](C)NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)[NH+]1CCOCC1 ZINC000455787701 514738916 /nfs/dbraw/zinc/73/89/16/514738916.db2.gz FTTXFDWGGDKDEJ-LSDHHAIUSA-N 1 2 374.485 2.966 20 30 FFEDLO CS(=O)(=O)[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000502774537 514770186 /nfs/dbraw/zinc/77/01/86/514770186.db2.gz KYACDIHEYYRHKI-INIZCTEOSA-N 1 2 359.413 2.956 20 30 FFEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000502774537 514770193 /nfs/dbraw/zinc/77/01/93/514770193.db2.gz KYACDIHEYYRHKI-INIZCTEOSA-N 1 2 359.413 2.956 20 30 FFEDLO N#CCc1cccc(NC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1 ZINC000455952508 514860839 /nfs/dbraw/zinc/86/08/39/514860839.db2.gz UAKVOBZSBROLLU-UHFFFAOYSA-N 1 2 374.448 2.750 20 30 FFEDLO N#Cc1ccccc1CSCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000485019078 514875284 /nfs/dbraw/zinc/87/52/84/514875284.db2.gz RDMJGFHGWSVTKK-UHFFFAOYSA-N 1 2 363.446 2.802 20 30 FFEDLO CCN1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000476017977 514884075 /nfs/dbraw/zinc/88/40/75/514884075.db2.gz AUKPFSPNBCLQNQ-MSOLQXFVSA-N 1 2 351.454 2.702 20 30 FFEDLO C=CCCCS(=O)(=O)N[C@@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000489689201 514939958 /nfs/dbraw/zinc/93/99/58/514939958.db2.gz SSKPUMSQRCSQRC-OALUTQOASA-N 1 2 366.527 2.552 20 30 FFEDLO C=CCCCS(=O)(=O)N[C@@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000489689201 514939970 /nfs/dbraw/zinc/93/99/70/514939970.db2.gz SSKPUMSQRCSQRC-OALUTQOASA-N 1 2 366.527 2.552 20 30 FFEDLO CC(C)(C)Oc1cccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)n1 ZINC000508892963 514941732 /nfs/dbraw/zinc/94/17/32/514941732.db2.gz HKGXOAZVJCYZSR-UHFFFAOYSA-N 1 2 351.454 2.848 20 30 FFEDLO C=CCC(C)(C)CNC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000489762758 514964797 /nfs/dbraw/zinc/96/47/97/514964797.db2.gz CZSYFQHAFMVHAH-CRAIPNDOSA-N 1 2 360.502 2.828 20 30 FFEDLO CC#CCN(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000458672657 515006149 /nfs/dbraw/zinc/00/61/49/515006149.db2.gz YRLMUZSDBYQFSD-WBVHZDCISA-N 1 2 353.388 2.904 20 30 FFEDLO CC#CCN(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000458672657 515006154 /nfs/dbraw/zinc/00/61/54/515006154.db2.gz YRLMUZSDBYQFSD-WBVHZDCISA-N 1 2 353.388 2.904 20 30 FFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000456353940 515121575 /nfs/dbraw/zinc/12/15/75/515121575.db2.gz NATZZCSYSAPEEO-DZGCQCFKSA-N 1 2 355.417 2.617 20 30 FFEDLO C[C@H](C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1)c1cccc(C#N)c1 ZINC000462560282 515124165 /nfs/dbraw/zinc/12/41/65/515124165.db2.gz ZQLFMENCBLPGKW-MAUKXSAKSA-N 1 2 364.449 2.803 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3nc4ccccc4s3)CC2)c1C#N ZINC000472158636 515149426 /nfs/dbraw/zinc/14/94/26/515149426.db2.gz PVCIGVJRXALIJS-UHFFFAOYSA-N 1 2 352.467 2.532 20 30 FFEDLO Cn1cc(C[N@@H+]2CCO[C@H](COCC3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000485715841 515156820 /nfs/dbraw/zinc/15/68/20/515156820.db2.gz JNDWXVHDGKXQFZ-FQEVSTJZSA-N 1 2 366.465 2.586 20 30 FFEDLO Cn1cc(C[N@H+]2CCO[C@H](COCC3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000485715841 515156826 /nfs/dbraw/zinc/15/68/26/515156826.db2.gz JNDWXVHDGKXQFZ-FQEVSTJZSA-N 1 2 366.465 2.586 20 30 FFEDLO CC[C@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](CC)CN1C(C)=O ZINC000472332486 515228863 /nfs/dbraw/zinc/22/88/63/515228863.db2.gz WVJDHJZHBKYWIN-ROUUACIJSA-N 1 2 367.453 2.830 20 30 FFEDLO CC[C@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](CC)CN1C(C)=O ZINC000472332486 515228872 /nfs/dbraw/zinc/22/88/72/515228872.db2.gz WVJDHJZHBKYWIN-ROUUACIJSA-N 1 2 367.453 2.830 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000499272045 515262492 /nfs/dbraw/zinc/26/24/92/515262492.db2.gz GEMIWTUSCUBBHG-OALUTQOASA-N 1 2 371.481 2.568 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000499272045 515262503 /nfs/dbraw/zinc/26/25/03/515262503.db2.gz GEMIWTUSCUBBHG-OALUTQOASA-N 1 2 371.481 2.568 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000481363595 515304742 /nfs/dbraw/zinc/30/47/42/515304742.db2.gz XXUMNLWXKFUGSO-QFBILLFUSA-N 1 2 359.470 2.687 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000481363595 515304746 /nfs/dbraw/zinc/30/47/46/515304746.db2.gz XXUMNLWXKFUGSO-QFBILLFUSA-N 1 2 359.470 2.687 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000481430491 515325724 /nfs/dbraw/zinc/32/57/24/515325724.db2.gz BNGIAUWJNNWOIF-ADLFWFRXSA-N 1 2 371.460 2.681 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nc3ccc(Br)cc3o2)C1=O ZINC000463207848 515394849 /nfs/dbraw/zinc/39/48/49/515394849.db2.gz VTGPBCOGFQTWJK-CYBMUJFWSA-N 1 2 364.243 2.809 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nc3ccc(Br)cc3o2)C1=O ZINC000463207848 515394855 /nfs/dbraw/zinc/39/48/55/515394855.db2.gz VTGPBCOGFQTWJK-CYBMUJFWSA-N 1 2 364.243 2.809 20 30 FFEDLO C[C@@](O)(C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)C(F)(F)F ZINC000499776734 515449651 /nfs/dbraw/zinc/44/96/51/515449651.db2.gz XEPFSOUJLVIYIB-LSDHHAIUSA-N 1 2 361.795 2.836 20 30 FFEDLO Cc1occc1C(=O)NC1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459322862 515469676 /nfs/dbraw/zinc/46/96/76/515469676.db2.gz IGWBXFUXFUKEQO-UHFFFAOYSA-N 1 2 368.393 2.762 20 30 FFEDLO C=C(C)CS(=O)(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000477473027 515470729 /nfs/dbraw/zinc/47/07/29/515470729.db2.gz CPBRGBLPBISOOK-GOEBONIOSA-N 1 2 362.417 2.735 20 30 FFEDLO C=C(C)CS(=O)(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000477473027 515470733 /nfs/dbraw/zinc/47/07/33/515470733.db2.gz CPBRGBLPBISOOK-GOEBONIOSA-N 1 2 362.417 2.735 20 30 FFEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000468766801 515510108 /nfs/dbraw/zinc/51/01/08/515510108.db2.gz AYYPLTGZAXCBIF-CVEARBPZSA-N 1 2 374.916 2.970 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc3ccccc3c2)C1=O ZINC000499950206 515530517 /nfs/dbraw/zinc/53/05/17/515530517.db2.gz FFVNSIFTMZKJKT-OXQOHEQNSA-N 1 2 365.477 2.736 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc3ccccc3c2)C1=O ZINC000499950206 515530528 /nfs/dbraw/zinc/53/05/28/515530528.db2.gz FFVNSIFTMZKJKT-OXQOHEQNSA-N 1 2 365.477 2.736 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000510477269 515551693 /nfs/dbraw/zinc/55/16/93/515551693.db2.gz XRUVOWIVNCVARY-MRXNPFEDSA-N 1 2 368.456 2.959 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1=O ZINC000500012244 515558339 /nfs/dbraw/zinc/55/83/39/515558339.db2.gz NUACBTOLNSMXHT-TZIWHRDSSA-N 1 2 369.509 2.753 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1=O ZINC000500012244 515558348 /nfs/dbraw/zinc/55/83/48/515558348.db2.gz NUACBTOLNSMXHT-TZIWHRDSSA-N 1 2 369.509 2.753 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)C1=O ZINC000500014128 515559162 /nfs/dbraw/zinc/55/91/62/515559162.db2.gz MQBJGYPTBGNBTL-NHYWBVRUSA-N 1 2 353.825 2.525 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)C1=O ZINC000500014128 515559170 /nfs/dbraw/zinc/55/91/70/515559170.db2.gz MQBJGYPTBGNBTL-NHYWBVRUSA-N 1 2 353.825 2.525 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C#N)s3)CC2)cc1 ZINC000486612909 515561957 /nfs/dbraw/zinc/56/19/57/515561957.db2.gz URPKRNIOXDHENK-UHFFFAOYSA-N 1 2 355.463 2.976 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000505593594 515600254 /nfs/dbraw/zinc/60/02/54/515600254.db2.gz LUCHFLLVNYRFCT-QGZVFWFLSA-N 1 2 364.449 2.534 20 30 FFEDLO Cc1cc(NC(=O)C(=O)NCC(C)(C)C#N)ccc1Oc1cc[nH+]cc1 ZINC000510668868 515629649 /nfs/dbraw/zinc/62/96/49/515629649.db2.gz PXVVJIXNZBDFJJ-UHFFFAOYSA-N 1 2 352.394 2.787 20 30 FFEDLO CCN(CC)c1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c[nH+]1 ZINC000505782754 515670891 /nfs/dbraw/zinc/67/08/91/515670891.db2.gz OMWWRLIBTLQLDW-HXUWFJFHSA-N 1 2 374.485 2.806 20 30 FFEDLO CCCCOC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000478020332 515671239 /nfs/dbraw/zinc/67/12/39/515671239.db2.gz SKGVVSFZGSTKIM-UHFFFAOYSA-N 1 2 350.484 2.613 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000494005355 515710220 /nfs/dbraw/zinc/71/02/20/515710220.db2.gz YJKGSTQAGWAQST-UHFFFAOYSA-N 1 2 373.460 2.955 20 30 FFEDLO C[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)[C@@H](C)[NH+]1CCOCC1 ZINC000469368065 515786544 /nfs/dbraw/zinc/78/65/44/515786544.db2.gz URYCBOQHWLGTFI-IAGOWNOFSA-N 1 2 368.481 2.784 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+](CCO)Cc2cccc(F)c2)cc1Cl ZINC000494286391 515796976 /nfs/dbraw/zinc/79/69/76/515796976.db2.gz ZKRRHARJYPRHAV-UHFFFAOYSA-N 1 2 361.804 2.784 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+](CCO)Cc2cccc(F)c2)cc1Cl ZINC000494286391 515796986 /nfs/dbraw/zinc/79/69/86/515796986.db2.gz ZKRRHARJYPRHAV-UHFFFAOYSA-N 1 2 361.804 2.784 20 30 FFEDLO Cc1ccccc1-n1nccc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000474112086 515889671 /nfs/dbraw/zinc/88/96/71/515889671.db2.gz YNGGCQUKUMIAFJ-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO C[C@@H]1CCc2nc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)sc2C1 ZINC000506477650 515894129 /nfs/dbraw/zinc/89/41/29/515894129.db2.gz PCBCNNZYPHJACQ-CQSZACIVSA-N 1 2 353.495 2.857 20 30 FFEDLO C[C@@H]([NH2+][C@H](C)c1nncn1C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000494781574 515962056 /nfs/dbraw/zinc/96/20/56/515962056.db2.gz HWPDAXKMGYTELB-VXGBXAGGSA-N 1 2 372.498 2.695 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000483233861 515996461 /nfs/dbraw/zinc/99/64/61/515996461.db2.gz MCUHISQCZQBQOP-BBRMVZONSA-N 1 2 358.269 2.671 20 30 FFEDLO C=CCOc1ccccc1CNC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000474456884 516053632 /nfs/dbraw/zinc/05/36/32/516053632.db2.gz LZRUCHWPUQRKFE-QGZVFWFLSA-N 1 2 369.469 2.563 20 30 FFEDLO C[C@@H]1CCC[C@@](C#N)(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000479147120 516078089 /nfs/dbraw/zinc/07/80/89/516078089.db2.gz YOVYHFJKEDAISZ-CRAIPNDOSA-N 1 2 358.467 2.682 20 30 FFEDLO Cc1nc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)ccc1C#N ZINC000488092101 516114989 /nfs/dbraw/zinc/11/49/89/516114989.db2.gz DNOQBXPHEAXEPP-IEBWSBKVSA-N 1 2 356.857 2.821 20 30 FFEDLO Cc1nc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC000488092101 516114996 /nfs/dbraw/zinc/11/49/96/516114996.db2.gz DNOQBXPHEAXEPP-IEBWSBKVSA-N 1 2 356.857 2.821 20 30 FFEDLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507202612 516123021 /nfs/dbraw/zinc/12/30/21/516123021.db2.gz HGRXJPBRSXIFJD-BRWVUGGUSA-N 1 2 372.488 2.712 20 30 FFEDLO N#CC1(NC(=O)CN2CC[NH+](C/C=C\c3ccccc3)CC2)CCCCC1 ZINC000501603894 516168907 /nfs/dbraw/zinc/16/89/07/516168907.db2.gz LIHYMTLNPLGXAI-YFHOEESVSA-N 1 2 366.509 2.660 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)Nc1c(C)nn(C)c1C)Cc1cnn(C(C)C)c1 ZINC000512548163 516303241 /nfs/dbraw/zinc/30/32/41/516303241.db2.gz YGLSKUSKVLQHMG-UHFFFAOYSA-N 1 2 358.490 2.831 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)Nc1c(C)nn(C)c1C)Cc1cnn(C(C)C)c1 ZINC000512548163 516303244 /nfs/dbraw/zinc/30/32/44/516303244.db2.gz YGLSKUSKVLQHMG-UHFFFAOYSA-N 1 2 358.490 2.831 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc(C#N)cc1Br ZINC000557696794 516390554 /nfs/dbraw/zinc/39/05/54/516390554.db2.gz JGAVRQJWTHHESO-OCCSQVGLSA-N 1 2 350.260 2.620 20 30 FFEDLO COc1ccccc1[C@@H](CO)[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000543836707 516450351 /nfs/dbraw/zinc/45/03/51/516450351.db2.gz SFXIHUOFQFTQHY-OAHLLOKOSA-N 1 2 359.451 2.507 20 30 FFEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1)c1ccccc1 ZINC000523439955 516473077 /nfs/dbraw/zinc/47/30/77/516473077.db2.gz UWOIIOKAGQEEHU-MRXNPFEDSA-N 1 2 369.387 2.977 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1)c1ccccc1 ZINC000523439955 516473085 /nfs/dbraw/zinc/47/30/85/516473085.db2.gz UWOIIOKAGQEEHU-MRXNPFEDSA-N 1 2 369.387 2.977 20 30 FFEDLO Cc1cccn2cc(CC(=O)N3CCC[C@@]4(CCCCO4)[C@@H]3C#N)[nH+]c12 ZINC000547744340 516535134 /nfs/dbraw/zinc/53/51/34/516535134.db2.gz MLFIEBSKDZSVMZ-PXNSSMCTSA-N 1 2 352.438 2.639 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(Oc3cccc(F)c3)CC2)cc1 ZINC000528575693 516542780 /nfs/dbraw/zinc/54/27/80/516542780.db2.gz YJUBNQPSEWJQLA-IBGZPJMESA-N 1 2 353.397 2.767 20 30 FFEDLO COC(=O)c1cccc(CNc2ccccc2C[NH+]2CCOCC2)c1C#N ZINC000535894271 516545585 /nfs/dbraw/zinc/54/55/85/516545585.db2.gz KMVGKYTZXMJXRV-UHFFFAOYSA-N 1 2 365.433 2.789 20 30 FFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cc(F)ccc2Br)C(N)=O)cc1 ZINC000523734810 516564318 /nfs/dbraw/zinc/56/43/18/516564318.db2.gz JKGGHDFHNDXBJC-OAHLLOKOSA-N 1 2 362.202 2.776 20 30 FFEDLO COc1ccc(F)cc1C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513666776 516710771 /nfs/dbraw/zinc/71/07/71/516710771.db2.gz OPJVLBOLDVUKIU-XOBRGWDASA-N 1 2 351.381 2.680 20 30 FFEDLO COc1ccc(F)cc1C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513666776 516710783 /nfs/dbraw/zinc/71/07/83/516710783.db2.gz OPJVLBOLDVUKIU-XOBRGWDASA-N 1 2 351.381 2.680 20 30 FFEDLO C=CCOc1cccc(C[NH+]2CCN([C@H](C(N)=O)c3ccccc3)CC2)c1 ZINC000558416029 516729377 /nfs/dbraw/zinc/72/93/77/516729377.db2.gz IRXFXOARTLWEKZ-NRFANRHFSA-N 1 2 365.477 2.596 20 30 FFEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1S(=O)(=O)CCC(C)(C)C#N)CCCC2 ZINC000558434477 516740998 /nfs/dbraw/zinc/74/09/98/516740998.db2.gz PQOZODQXUGYOQA-INIZCTEOSA-N 1 2 364.515 2.705 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000524598950 516763790 /nfs/dbraw/zinc/76/37/90/516763790.db2.gz TYCQDPYBKGQYSF-GXTWGEPZSA-N 1 2 355.360 2.929 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000524598950 516763798 /nfs/dbraw/zinc/76/37/98/516763798.db2.gz TYCQDPYBKGQYSF-GXTWGEPZSA-N 1 2 355.360 2.929 20 30 FFEDLO Cc1c(C#N)cccc1C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000513829003 516773285 /nfs/dbraw/zinc/77/32/85/516773285.db2.gz UITFCLMWSGJGQP-INIZCTEOSA-N 1 2 350.422 2.621 20 30 FFEDLO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000555092090 516777526 /nfs/dbraw/zinc/77/75/26/516777526.db2.gz DLXFPBOVJSABHD-NSHDSACASA-N 1 2 360.401 2.975 20 30 FFEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000555092090 516777532 /nfs/dbraw/zinc/77/75/32/516777532.db2.gz DLXFPBOVJSABHD-NSHDSACASA-N 1 2 360.401 2.975 20 30 FFEDLO N#Cc1ccc(NC(=O)C[NH2+][C@@H](CO)c2c(F)cccc2F)cc1Cl ZINC000541023741 516833087 /nfs/dbraw/zinc/83/30/87/516833087.db2.gz GVXUMEMVVJBZOX-HNNXBMFYSA-N 1 2 365.767 2.752 20 30 FFEDLO C=CCC[C@H](C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N)c1ccccc1 ZINC000548318006 516896095 /nfs/dbraw/zinc/89/60/95/516896095.db2.gz WHDPFQYQZJMRDG-INIZCTEOSA-N 1 2 351.454 2.544 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1ccc(C#N)cc1 ZINC000558735204 516919479 /nfs/dbraw/zinc/91/94/79/516919479.db2.gz SKSVIDTWUJOVSC-KGLIPLIRSA-N 1 2 359.437 2.733 20 30 FFEDLO COc1ccc(OC2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000532472688 516994109 /nfs/dbraw/zinc/99/41/09/516994109.db2.gz LZXWRWPGCUZRCE-HXUWFJFHSA-N 1 2 365.433 2.637 20 30 FFEDLO C=C(C)Cn1c(-c2ccoc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000558991726 517033409 /nfs/dbraw/zinc/03/34/09/517033409.db2.gz NLEZKUPBYNXJIY-UHFFFAOYSA-N 1 2 350.426 2.836 20 30 FFEDLO CNC(=O)[C@@H]1CCCc2sc(/C=C/c3c[nH+]c4ccc(C#N)cn34)nc21 ZINC000559190697 517115956 /nfs/dbraw/zinc/11/59/56/517115956.db2.gz XGLXWIOPNODZMZ-IZPAUZPXSA-N 1 2 363.446 2.999 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000537265448 517116048 /nfs/dbraw/zinc/11/60/48/517116048.db2.gz LVSNDORPWBNTTR-DLBZAZTESA-N 1 2 373.497 2.879 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000541682468 517170090 /nfs/dbraw/zinc/17/00/90/517170090.db2.gz RZSYNFNYTXWWFK-AVYPCKFXSA-N 1 2 369.469 2.754 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCC2(C#N)CC2)[C@H](C)C1 ZINC000515033088 517179225 /nfs/dbraw/zinc/17/92/25/517179225.db2.gz APUVWIHWGWWWOF-MRXNPFEDSA-N 1 2 356.470 2.605 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCC2(C#N)CC2)[C@H](C)C1 ZINC000515033088 517179228 /nfs/dbraw/zinc/17/92/28/517179228.db2.gz APUVWIHWGWWWOF-MRXNPFEDSA-N 1 2 356.470 2.605 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000562554336 517191248 /nfs/dbraw/zinc/19/12/48/517191248.db2.gz AAHWYSCDIVCLFI-KGLIPLIRSA-N 1 2 364.243 2.856 20 30 FFEDLO CCn1c(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)nc2cc(F)ccc21 ZINC000532922765 517205062 /nfs/dbraw/zinc/20/50/62/517205062.db2.gz AGKIXZWKGMWTPF-UHFFFAOYSA-N 1 2 364.428 2.784 20 30 FFEDLO CCN(C(=O)[C@@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1)c1ccccc1 ZINC000545504440 517270690 /nfs/dbraw/zinc/27/06/90/517270690.db2.gz NCGRASBKSYHJHH-QGZVFWFLSA-N 1 2 363.465 2.517 20 30 FFEDLO Cc1nc(-c2ccc(C)cc2NC(=O)C[NH+]2CCC(C)(C#N)CC2)n[nH]1 ZINC000541881009 517271300 /nfs/dbraw/zinc/27/13/00/517271300.db2.gz ROWSWSHNQXNUBL-UHFFFAOYSA-N 1 2 352.442 2.653 20 30 FFEDLO Cn1c(C[NH+]2CCN(c3cccc(C#N)n3)CC2)nc2cc(Cl)ccc21 ZINC000545506787 517271776 /nfs/dbraw/zinc/27/17/76/517271776.db2.gz CYAWYVBNQRIFEQ-UHFFFAOYSA-N 1 2 366.856 2.816 20 30 FFEDLO CCC(CC)[C@@H](C(=O)Nc1ccc(COC)c(C#N)c1)[NH+]1CCOCC1 ZINC000529816019 517361194 /nfs/dbraw/zinc/36/11/94/517361194.db2.gz KGALLUUHAXOTFR-IBGZPJMESA-N 1 2 359.470 2.780 20 30 FFEDLO N#Cc1ccc(C[N@@H+](CCO)Cc2cc(Br)ccc2F)nc1 ZINC000515503269 517381995 /nfs/dbraw/zinc/38/19/95/517381995.db2.gz DIRDQFAZARGOJD-UHFFFAOYSA-N 1 2 364.218 2.849 20 30 FFEDLO N#Cc1ccc(C[N@H+](CCO)Cc2cc(Br)ccc2F)nc1 ZINC000515503269 517382001 /nfs/dbraw/zinc/38/20/01/517382001.db2.gz DIRDQFAZARGOJD-UHFFFAOYSA-N 1 2 364.218 2.849 20 30 FFEDLO Cc1ccc([C@@H](CNC(=O)c2ccc(F)c(C#N)c2)[NH+]2CCOCC2)cc1 ZINC000556375055 517396407 /nfs/dbraw/zinc/39/64/07/517396407.db2.gz KCKQDQOSEBRVAX-HXUWFJFHSA-N 1 2 367.424 2.809 20 30 FFEDLO C=C(C)Cn1c(CC)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000549293932 517496596 /nfs/dbraw/zinc/49/65/96/517496596.db2.gz RNRUVJGYLJMBLM-UHFFFAOYSA-N 1 2 369.517 2.965 20 30 FFEDLO C=CCOc1cccnc1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000538252758 517525237 /nfs/dbraw/zinc/52/52/37/517525237.db2.gz MSRVQXLZXNQLRN-MRXNPFEDSA-N 1 2 352.438 2.560 20 30 FFEDLO Cc1cc(C#N)cnc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000556695619 517577298 /nfs/dbraw/zinc/57/72/98/517577298.db2.gz IIKQMDRQUJRBLY-SJLPKXTDSA-N 1 2 356.376 2.715 20 30 FFEDLO Cc1cc(C#N)cnc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000556695619 517577307 /nfs/dbraw/zinc/57/73/07/517577307.db2.gz IIKQMDRQUJRBLY-SJLPKXTDSA-N 1 2 356.376 2.715 20 30 FFEDLO C=CC[C@H](CO)NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000538404630 517605037 /nfs/dbraw/zinc/60/50/37/517605037.db2.gz LLLCAEUWLCQQKE-CJNGLKHVSA-N 1 2 369.868 2.852 20 30 FFEDLO C=CC[C@@H](CO)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000553261437 517609102 /nfs/dbraw/zinc/60/91/02/517609102.db2.gz BQIWBJJCYYRLBF-CZUORRHYSA-N 1 2 362.861 2.647 20 30 FFEDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000549841691 517739572 /nfs/dbraw/zinc/73/95/72/517739572.db2.gz XTGLLQBQXMDMRG-YJYMSZOUSA-N 1 2 363.396 2.760 20 30 FFEDLO CCc1cnc(N2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)s1 ZINC000538729411 517753568 /nfs/dbraw/zinc/75/35/68/517753568.db2.gz NBKDNAKUDSYVDX-UHFFFAOYSA-N 1 2 352.467 2.547 20 30 FFEDLO CCc1cnc(N2CCN(Cc3c[nH+]c4ccc(C#N)cn34)CC2)s1 ZINC000538729411 517753577 /nfs/dbraw/zinc/75/35/77/517753577.db2.gz NBKDNAKUDSYVDX-UHFFFAOYSA-N 1 2 352.467 2.547 20 30 FFEDLO C[C@](O)(C1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000546637526 517769426 /nfs/dbraw/zinc/76/94/26/517769426.db2.gz OJQAMQCKNWWPCT-INIZCTEOSA-N 1 2 355.360 2.522 20 30 FFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000563367204 517852003 /nfs/dbraw/zinc/85/20/03/517852003.db2.gz USRCOHBQHNDRPV-NSHDSACASA-N 1 2 357.195 2.512 20 30 FFEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000563367497 517852122 /nfs/dbraw/zinc/85/21/22/517852122.db2.gz OZIGCOMMMMRDSM-CMPLNLGQSA-N 1 2 368.359 2.661 20 30 FFEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000534333550 517857938 /nfs/dbraw/zinc/85/79/38/517857938.db2.gz MCCRENOJXBYRLD-UHFFFAOYSA-N 1 2 373.497 2.974 20 30 FFEDLO C[C@@H]1C[C@H](NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c2[nH+]ccn21 ZINC000521824281 517861982 /nfs/dbraw/zinc/86/19/82/517861982.db2.gz QJYVXJMFAZDZPM-INWMFGNUSA-N 1 2 353.401 2.542 20 30 FFEDLO CC(C)(C)Oc1cccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)n1 ZINC000546917358 517919698 /nfs/dbraw/zinc/91/96/98/517919698.db2.gz VXUHHRMOISCNIP-UHFFFAOYSA-N 1 2 351.454 2.848 20 30 FFEDLO C[C@@H](c1ccccc1F)N1CCC[C@@H]([NH2+]Cc2nc(C#N)cs2)C1=O ZINC000550255722 517954725 /nfs/dbraw/zinc/95/47/25/517954725.db2.gz OWUQKJUNHHRRFS-BLLLJJGKSA-N 1 2 358.442 2.996 20 30 FFEDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000563631620 518035644 /nfs/dbraw/zinc/03/56/44/518035644.db2.gz UDSDZRYQJKQSIW-UHFFFAOYSA-N 1 2 364.405 2.991 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3cccc(Cl)c3)C2)nc1 ZINC000563668542 518054714 /nfs/dbraw/zinc/05/47/14/518054714.db2.gz CYJADBYRFSOSHJ-INIZCTEOSA-N 1 2 356.813 2.698 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3cccc(Cl)c3)C2)nc1 ZINC000563668542 518054719 /nfs/dbraw/zinc/05/47/19/518054719.db2.gz CYJADBYRFSOSHJ-INIZCTEOSA-N 1 2 356.813 2.698 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000522280576 518061910 /nfs/dbraw/zinc/06/19/10/518061910.db2.gz TXPZXKAIQVEQHZ-UHFFFAOYSA-N 1 2 370.409 2.670 20 30 FFEDLO N#Cc1ccc(C[NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)o1 ZINC000539510885 518083295 /nfs/dbraw/zinc/08/32/95/518083295.db2.gz SEBVMWFKYTUBAG-UHFFFAOYSA-N 1 2 352.419 2.828 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)cc1C#N ZINC000563721192 518088486 /nfs/dbraw/zinc/08/84/86/518088486.db2.gz DHDFMMBTTULITD-UHFFFAOYSA-N 1 2 374.466 2.568 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)cc1C#N ZINC000563721192 518088494 /nfs/dbraw/zinc/08/84/94/518088494.db2.gz DHDFMMBTTULITD-UHFFFAOYSA-N 1 2 374.466 2.568 20 30 FFEDLO Cc1nnc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 ZINC000543549048 518134409 /nfs/dbraw/zinc/13/44/09/518134409.db2.gz YKMMBVQSXPZWJR-JTQLQIEISA-N 1 2 359.455 2.869 20 30 FFEDLO N#CCNC(=O)C[NH2+]C1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC000543560277 518137623 /nfs/dbraw/zinc/13/76/23/518137623.db2.gz XFGQXNXZXRUYGB-UHFFFAOYSA-N 1 2 359.474 2.896 20 30 FFEDLO C[C@@H](C(=O)N[C@]1(C#N)CCC[C@@H](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000522733775 518156581 /nfs/dbraw/zinc/15/65/81/518156581.db2.gz OAPKYGHYUAPBCI-LLGFUMIMSA-N 1 2 372.488 2.925 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)nc1 ZINC000566819976 518217090 /nfs/dbraw/zinc/21/70/90/518217090.db2.gz IPEWCEJKUHWFCB-LHUXKHBRSA-N 1 2 367.474 2.905 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)nc1 ZINC000566819976 518217093 /nfs/dbraw/zinc/21/70/93/518217093.db2.gz IPEWCEJKUHWFCB-LHUXKHBRSA-N 1 2 367.474 2.905 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)NCCc1cccc(C#N)c1)C2 ZINC000575475081 518225279 /nfs/dbraw/zinc/22/52/79/518225279.db2.gz QRYNLJDAUMLACS-QGZVFWFLSA-N 1 2 365.481 2.909 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000566969683 518290724 /nfs/dbraw/zinc/29/07/24/518290724.db2.gz JXZDSIBEOWTHFW-FQEVSTJZSA-N 1 2 351.450 2.907 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000566969683 518290733 /nfs/dbraw/zinc/29/07/33/518290733.db2.gz JXZDSIBEOWTHFW-FQEVSTJZSA-N 1 2 351.450 2.907 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000572728562 518335281 /nfs/dbraw/zinc/33/52/81/518335281.db2.gz VFTYSWDWFGTQQC-PBHICJAKSA-N 1 2 372.444 2.626 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1F ZINC000581554181 518342347 /nfs/dbraw/zinc/34/23/47/518342347.db2.gz WTWNCKCOKIECDW-UHFFFAOYSA-N 1 2 374.441 2.571 20 30 FFEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000581902799 518494142 /nfs/dbraw/zinc/49/41/42/518494142.db2.gz BAEYZNZRQUOFFT-QGZVFWFLSA-N 1 2 356.474 2.763 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCc1ccc(F)cc1Cl ZINC000581916322 518499688 /nfs/dbraw/zinc/49/96/88/518499688.db2.gz SIZHPHQWGNKYLP-ZDUSSCGKSA-N 1 2 359.836 2.894 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCc1ccc(F)cc1Cl ZINC000581916322 518499692 /nfs/dbraw/zinc/49/96/92/518499692.db2.gz SIZHPHQWGNKYLP-ZDUSSCGKSA-N 1 2 359.836 2.894 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCC(F)(c3ccccn3)CC2)c1 ZINC000570278551 518530004 /nfs/dbraw/zinc/53/00/04/518530004.db2.gz JWQKFFBKAQKKNV-UHFFFAOYSA-N 1 2 352.413 2.530 20 30 FFEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc(F)cc2Br)C(N)=O)cc1 ZINC000573159101 518531002 /nfs/dbraw/zinc/53/10/02/518531002.db2.gz PDQAJGHCBRPYER-HNNXBMFYSA-N 1 2 362.202 2.776 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1C#N ZINC000576412676 518581155 /nfs/dbraw/zinc/58/11/55/518581155.db2.gz JJLMNBFWIIBVID-UHFFFAOYSA-N 1 2 360.417 2.797 20 30 FFEDLO COc1cc(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000573263044 518582955 /nfs/dbraw/zinc/58/29/55/518582955.db2.gz NZFGQYMVKMTFAJ-WMLDXEAASA-N 1 2 353.426 2.556 20 30 FFEDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)C[C@H](C)O2 ZINC000564790469 518615327 /nfs/dbraw/zinc/61/53/27/518615327.db2.gz HGTDFOQPLJKJSZ-SIFCLUCFSA-N 1 2 368.437 2.767 20 30 FFEDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)C[C@H](C)O2 ZINC000564790469 518615335 /nfs/dbraw/zinc/61/53/35/518615335.db2.gz HGTDFOQPLJKJSZ-SIFCLUCFSA-N 1 2 368.437 2.767 20 30 FFEDLO CC(C)([NH2+]Cc1cnc2c(C#N)cnn2c1)c1cc(C(F)(F)F)on1 ZINC000573370993 518633413 /nfs/dbraw/zinc/63/34/13/518633413.db2.gz SAKYPCVMJKNNFS-UHFFFAOYSA-N 1 2 350.304 2.633 20 30 FFEDLO CC(C)[N@H+](CC(=O)Nc1sccc1C#N)CC(=O)N1CCCCCC1 ZINC000586786307 518641076 /nfs/dbraw/zinc/64/10/76/518641076.db2.gz UOOHUSNRPLEUNB-UHFFFAOYSA-N 1 2 362.499 2.671 20 30 FFEDLO CC(C)[N@@H+](CC(=O)Nc1sccc1C#N)CC(=O)N1CCCCCC1 ZINC000586786307 518641082 /nfs/dbraw/zinc/64/10/82/518641082.db2.gz UOOHUSNRPLEUNB-UHFFFAOYSA-N 1 2 362.499 2.671 20 30 FFEDLO N#Cc1ccc(OCc2ccc(C(=O)N[C@@H]3CCc4c[nH+]cn4C3)o2)cc1 ZINC000587044995 518675162 /nfs/dbraw/zinc/67/51/62/518675162.db2.gz FSBMKDFZFYMBSF-OAHLLOKOSA-N 1 2 362.389 2.672 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(COc2cccc(F)c2)c1 ZINC000565052460 518762786 /nfs/dbraw/zinc/76/27/86/518762786.db2.gz YVVKWTNAAQPNAI-FQEVSTJZSA-N 1 2 355.413 2.978 20 30 FFEDLO N#Cc1cnn(-c2ccccc2NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1N ZINC000588837285 518842735 /nfs/dbraw/zinc/84/27/35/518842735.db2.gz OXTWSCHVAOZNCB-UHFFFAOYSA-N 1 2 369.388 2.764 20 30 FFEDLO Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000571021668 518888382 /nfs/dbraw/zinc/88/83/82/518888382.db2.gz JNZWBLLGLVGDGV-SFHVURJKSA-N 1 2 350.422 2.662 20 30 FFEDLO Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000571021668 518888389 /nfs/dbraw/zinc/88/83/89/518888389.db2.gz JNZWBLLGLVGDGV-SFHVURJKSA-N 1 2 350.422 2.662 20 30 FFEDLO N#Cc1cccc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000577059948 518896879 /nfs/dbraw/zinc/89/68/79/518896879.db2.gz DGUXHFTZYLMIAM-AWEZNQCLSA-N 1 2 350.426 2.898 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000571076871 518915721 /nfs/dbraw/zinc/91/57/21/518915721.db2.gz QXEVZTLHLDFKPA-YZGWKJHDSA-N 1 2 370.497 2.611 20 30 FFEDLO Cn1cc[nH+]c1[C@H](CC(=O)N[C@H](C#N)c1ccc(F)cc1)C(F)(F)F ZINC000565372389 518923550 /nfs/dbraw/zinc/92/35/50/518923550.db2.gz WJWIUOGFSFAIGL-QWHCGFSZSA-N 1 2 354.307 2.976 20 30 FFEDLO Cc1c(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cnn1C ZINC000577144128 518933372 /nfs/dbraw/zinc/93/33/72/518933372.db2.gz BNXSAVDAHMRNGF-HNNXBMFYSA-N 1 2 357.433 2.635 20 30 FFEDLO Cc1c(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cnn1C ZINC000577144128 518933380 /nfs/dbraw/zinc/93/33/80/518933380.db2.gz BNXSAVDAHMRNGF-HNNXBMFYSA-N 1 2 357.433 2.635 20 30 FFEDLO C[NH+](C)[C@H](C(=O)Nc1nc2n(c1C#N)CCS2)c1ccc(Cl)cc1 ZINC000571222786 518986050 /nfs/dbraw/zinc/98/60/50/518986050.db2.gz YDRDTLXQZJJBSX-ZDUSSCGKSA-N 1 2 361.858 2.755 20 30 FFEDLO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ncc(Br)cn1 ZINC000571231399 518990954 /nfs/dbraw/zinc/99/09/54/518990954.db2.gz FCYACWIYEIIOFV-JTQLQIEISA-N 1 2 357.215 2.609 20 30 FFEDLO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1nc2c(s1)CCC2 ZINC000580121520 519015947 /nfs/dbraw/zinc/01/59/47/519015947.db2.gz ZUYRFQQTALKNIF-UHFFFAOYSA-N 1 2 370.478 2.591 20 30 FFEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1nc2c(s1)CCC2 ZINC000580121520 519015952 /nfs/dbraw/zinc/01/59/52/519015952.db2.gz ZUYRFQQTALKNIF-UHFFFAOYSA-N 1 2 370.478 2.591 20 30 FFEDLO CCn1nc2c(cc1=O)C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)CC2 ZINC000589503063 519019908 /nfs/dbraw/zinc/01/99/08/519019908.db2.gz MSKCEIMUGIJBPY-UHFFFAOYSA-N 1 2 362.355 2.712 20 30 FFEDLO CCn1nc2c(cc1=O)C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)CC2 ZINC000589503063 519019914 /nfs/dbraw/zinc/01/99/14/519019914.db2.gz MSKCEIMUGIJBPY-UHFFFAOYSA-N 1 2 362.355 2.712 20 30 FFEDLO COc1cc(Cl)c(Br)cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000580333786 519123438 /nfs/dbraw/zinc/12/34/38/519123438.db2.gz ZTHAAZGGNRVUSC-AWEZNQCLSA-N 1 2 374.666 2.685 20 30 FFEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000590206066 519173367 /nfs/dbraw/zinc/17/33/67/519173367.db2.gz TWFOVEXOSPZHNJ-UHFFFAOYSA-N 1 2 364.405 2.733 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000574598429 519234916 /nfs/dbraw/zinc/23/49/16/519234916.db2.gz GUPIWDNPLFWXNP-WBMJQRKESA-N 1 2 361.511 2.918 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000574598429 519234921 /nfs/dbraw/zinc/23/49/21/519234921.db2.gz GUPIWDNPLFWXNP-WBMJQRKESA-N 1 2 361.511 2.918 20 30 FFEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000583479791 519268339 /nfs/dbraw/zinc/26/83/39/519268339.db2.gz WWRRQSFIGRYRIY-SWLSCSKDSA-N 1 2 361.243 2.588 20 30 FFEDLO CC(C)[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](O)C(F)(F)F ZINC000590601348 519283508 /nfs/dbraw/zinc/28/35/08/519283508.db2.gz RWOYZKNNAWYHSM-KBPBESRZSA-N 1 2 354.332 2.646 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(O)cc(C(F)(F)F)c3)CC2)n1 ZINC000571847993 519306539 /nfs/dbraw/zinc/30/65/39/519306539.db2.gz MNUKZLSCWXVCNM-UHFFFAOYSA-N 1 2 362.355 3.000 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000569214518 519436805 /nfs/dbraw/zinc/43/68/05/519436805.db2.gz NSMXBFLAMRKSIL-GOSISDBHSA-N 1 2 350.422 2.969 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000569214518 519436816 /nfs/dbraw/zinc/43/68/16/519436816.db2.gz NSMXBFLAMRKSIL-GOSISDBHSA-N 1 2 350.422 2.969 20 30 FFEDLO Cc1cc(NC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)n(CCC#N)n1 ZINC000569235899 519448168 /nfs/dbraw/zinc/44/81/68/519448168.db2.gz SAYSIVBTEQLGHJ-LLVKDONJSA-N 1 2 354.336 2.513 20 30 FFEDLO CN1C(=O)C[C@H]([NH2+]Cc2nc(C#N)cs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000583841893 519459563 /nfs/dbraw/zinc/45/95/63/519459563.db2.gz QJQOQCXZCMFMHG-XJKSGUPXSA-N 1 2 364.833 2.869 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000581038757 519488697 /nfs/dbraw/zinc/48/86/97/519488697.db2.gz WZUWSXUKEPBLDB-GOSISDBHSA-N 1 2 369.421 2.516 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000581038757 519488707 /nfs/dbraw/zinc/48/87/07/519488707.db2.gz WZUWSXUKEPBLDB-GOSISDBHSA-N 1 2 369.421 2.516 20 30 FFEDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc(C#N)c(Cl)c3)[nH+]cn2)C1 ZINC000591158619 519532960 /nfs/dbraw/zinc/53/29/60/519532960.db2.gz TWLLOKUXRWWLTD-IUODEOHRSA-N 1 2 357.845 2.821 20 30 FFEDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc(C#N)c(Cl)c3)nc[nH+]2)C1 ZINC000591158619 519532967 /nfs/dbraw/zinc/53/29/67/519532967.db2.gz TWLLOKUXRWWLTD-IUODEOHRSA-N 1 2 357.845 2.821 20 30 FFEDLO C[C@@H]1C[NH+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C[C@@H](C)N1CC#N ZINC000602851227 519925095 /nfs/dbraw/zinc/92/50/95/519925095.db2.gz VCEGLCWKVXIJBL-PBFPGSCMSA-N 1 2 364.852 2.503 20 30 FFEDLO C[C@H](NC(=O)[C@H](C)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1)c1cc2ccccc2o1 ZINC000602859402 519931071 /nfs/dbraw/zinc/93/10/71/519931071.db2.gz YBVQMONWAHKBGE-NCOADZHNSA-N 1 2 368.481 2.917 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000602892541 519956001 /nfs/dbraw/zinc/95/60/01/519956001.db2.gz KKZCCHODKAHTNG-LLVKDONJSA-N 1 2 367.375 2.774 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000602892541 519956011 /nfs/dbraw/zinc/95/60/11/519956011.db2.gz KKZCCHODKAHTNG-LLVKDONJSA-N 1 2 367.375 2.774 20 30 FFEDLO COC(=O)c1cccc(C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)c1C#N ZINC000602899854 519959614 /nfs/dbraw/zinc/95/96/14/519959614.db2.gz BBSHFEYBXHZRMB-IBGZPJMESA-N 1 2 365.433 2.733 20 30 FFEDLO CCOC(=O)c1nc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)cs1 ZINC000602908608 519966798 /nfs/dbraw/zinc/96/67/98/519966798.db2.gz DFVCYBURAJVDCM-UHFFFAOYSA-N 1 2 356.451 2.966 20 30 FFEDLO N#Cc1c(F)cc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)cc1F ZINC000597348293 519972301 /nfs/dbraw/zinc/97/23/01/519972301.db2.gz XRUOCEJAOURWFE-UHFFFAOYSA-N 1 2 357.360 2.500 20 30 FFEDLO C[N@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602979866 520005175 /nfs/dbraw/zinc/00/51/75/520005175.db2.gz IRQLKFSDHSGOQY-LZLYRXPVSA-N 1 2 354.479 2.973 20 30 FFEDLO C[N@@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602979866 520005181 /nfs/dbraw/zinc/00/51/81/520005181.db2.gz IRQLKFSDHSGOQY-LZLYRXPVSA-N 1 2 354.479 2.973 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000602986424 520007658 /nfs/dbraw/zinc/00/76/58/520007658.db2.gz BKJRSJPLBNOPNR-UHFFFAOYSA-N 1 2 367.453 2.566 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000602986424 520007662 /nfs/dbraw/zinc/00/76/62/520007662.db2.gz BKJRSJPLBNOPNR-UHFFFAOYSA-N 1 2 367.453 2.566 20 30 FFEDLO C[C@H]1CN(c2ccc(CNc3cccc(-n4cccn4)c3C#N)c[nH+]2)CCO1 ZINC000594544797 520019472 /nfs/dbraw/zinc/01/94/72/520019472.db2.gz SFNFLWUTZXQWPU-INIZCTEOSA-N 1 2 374.448 2.976 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccccc2C#N)cc1 ZINC000591773298 520033936 /nfs/dbraw/zinc/03/39/36/520033936.db2.gz LMMADLJEHCDCHR-SFHVURJKSA-N 1 2 350.422 2.969 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccccc2C#N)cc1 ZINC000591773298 520033941 /nfs/dbraw/zinc/03/39/41/520033941.db2.gz LMMADLJEHCDCHR-SFHVURJKSA-N 1 2 350.422 2.969 20 30 FFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000616762366 520129562 /nfs/dbraw/zinc/12/95/62/520129562.db2.gz CXUHVKOIUNHUJW-UHFFFAOYSA-N 1 2 351.385 2.757 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000594746972 520129995 /nfs/dbraw/zinc/12/99/95/520129995.db2.gz AQKFAWMLDKHOQF-NSHDSACASA-N 1 2 360.464 2.645 20 30 FFEDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)CC2(C#N)CCCCC2)cn1 ZINC000597631803 520145857 /nfs/dbraw/zinc/14/58/57/520145857.db2.gz ZTLSVVFAXJNAEZ-UHFFFAOYSA-N 1 2 354.458 2.510 20 30 FFEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)c1 ZINC000608886381 520155951 /nfs/dbraw/zinc/15/59/51/520155951.db2.gz DSDAYCYTTMWAMU-UHFFFAOYSA-N 1 2 371.387 2.673 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000608991394 520174657 /nfs/dbraw/zinc/17/46/57/520174657.db2.gz UEONKMCJQKXVRE-DYESRHJHSA-N 1 2 370.424 2.705 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000608991394 520174662 /nfs/dbraw/zinc/17/46/62/520174662.db2.gz UEONKMCJQKXVRE-DYESRHJHSA-N 1 2 370.424 2.705 20 30 FFEDLO CCN(CCOC)c1cccc(Cn2cc(-c3ccc(C#N)cc3)nn2)[nH+]1 ZINC000603250088 520182826 /nfs/dbraw/zinc/18/28/26/520182826.db2.gz BXJUKLOACZHDDL-UHFFFAOYSA-N 1 2 362.437 2.733 20 30 FFEDLO N#Cc1cc(F)ccc1CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000609133238 520201605 /nfs/dbraw/zinc/20/16/05/520201605.db2.gz KLQMJLXNDKYSDM-UHFFFAOYSA-N 1 2 367.424 2.786 20 30 FFEDLO COC(=O)c1ccc2c(c1)C[N@@H+](CCC(=O)Nc1sccc1C#N)C2 ZINC000609314320 520274858 /nfs/dbraw/zinc/27/48/58/520274858.db2.gz ZLSOTLOBHDKQGK-UHFFFAOYSA-N 1 2 355.419 2.751 20 30 FFEDLO COC(=O)c1ccc2c(c1)C[N@H+](CCC(=O)Nc1sccc1C#N)C2 ZINC000609314320 520274862 /nfs/dbraw/zinc/27/48/62/520274862.db2.gz ZLSOTLOBHDKQGK-UHFFFAOYSA-N 1 2 355.419 2.751 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)C(C)(C)CO ZINC000597847779 520277313 /nfs/dbraw/zinc/27/73/13/520277313.db2.gz RSIRXYOJIOSWLR-SJLPKXTDSA-N 1 2 354.454 2.683 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)Nc2cccc3ncccc32)CC1 ZINC000609485957 520327898 /nfs/dbraw/zinc/32/78/98/520327898.db2.gz AQXAFHGVCZWLEC-OXJNMPFZSA-N 1 2 365.481 2.728 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000609484345 520328124 /nfs/dbraw/zinc/32/81/24/520328124.db2.gz AXKFOGOPSZBFRF-QFBILLFUSA-N 1 2 360.477 2.511 20 30 FFEDLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609538546 520347786 /nfs/dbraw/zinc/34/77/86/520347786.db2.gz LOKCCQNPDPKWQK-RBUKOAKNSA-N 1 2 358.486 2.578 20 30 FFEDLO C[C@@H]1CCC[C@H](OCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000609576738 520363248 /nfs/dbraw/zinc/36/32/48/520363248.db2.gz KLAAJLXOTZMLFV-XLIONFOSSA-N 1 2 355.482 2.798 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604276215 520504617 /nfs/dbraw/zinc/50/46/17/520504617.db2.gz HMQBPCPWFKMBRT-GARJFASQSA-N 1 2 359.314 2.810 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604276215 520504621 /nfs/dbraw/zinc/50/46/21/520504621.db2.gz HMQBPCPWFKMBRT-GARJFASQSA-N 1 2 359.314 2.810 20 30 FFEDLO Cc1c[nH+]c2cc(C(=O)NC3(c4cccc(C#N)c4)CCOCC3)ccn12 ZINC000598248033 520517810 /nfs/dbraw/zinc/51/78/10/520517810.db2.gz DMZKVXVGYJCJGV-UHFFFAOYSA-N 1 2 360.417 2.950 20 30 FFEDLO CCn1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C2CC2)n1 ZINC000600945465 520551142 /nfs/dbraw/zinc/55/11/42/520551142.db2.gz KJUZBZLOKSCVTQ-UHFFFAOYSA-N 1 2 363.465 2.610 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCc4ccccc4C3)CC2)cc1 ZINC000604540579 520594919 /nfs/dbraw/zinc/59/49/19/520594919.db2.gz BLSPDXPRIXSPSG-QFIPXVFZSA-N 1 2 374.488 2.943 20 30 FFEDLO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)n[nH]1 ZINC000595613862 520595573 /nfs/dbraw/zinc/59/55/73/520595573.db2.gz FKPUUFUJKPAUPT-HNNXBMFYSA-N 1 2 352.442 2.653 20 30 FFEDLO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)n[nH]1 ZINC000595613862 520595579 /nfs/dbraw/zinc/59/55/79/520595579.db2.gz FKPUUFUJKPAUPT-HNNXBMFYSA-N 1 2 352.442 2.653 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@](C)(C3CC3)C2)cc1 ZINC000595617695 520597500 /nfs/dbraw/zinc/59/75/00/520597500.db2.gz IRBVSBJHUGQWGQ-OAQYLSRUSA-N 1 2 371.481 2.833 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@](C)(C3CC3)C2)cc1 ZINC000595617695 520597509 /nfs/dbraw/zinc/59/75/09/520597509.db2.gz IRBVSBJHUGQWGQ-OAQYLSRUSA-N 1 2 371.481 2.833 20 30 FFEDLO C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595620028 520600058 /nfs/dbraw/zinc/60/00/58/520600058.db2.gz JVCFSXOEXMUAIM-NEPJUHHUSA-N 1 2 351.353 2.961 20 30 FFEDLO C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595620028 520600068 /nfs/dbraw/zinc/60/00/68/520600068.db2.gz JVCFSXOEXMUAIM-NEPJUHHUSA-N 1 2 351.353 2.961 20 30 FFEDLO Cc1nn(C)c2ncc(C[NH+]3CCN(c4ccsc4C#N)CC3)cc12 ZINC000595631841 520609330 /nfs/dbraw/zinc/60/93/30/520609330.db2.gz JUFWFSWBLZMJPB-UHFFFAOYSA-N 1 2 352.467 2.532 20 30 FFEDLO COc1cccc([C@H](Nc2cc(C#N)nc(C3CC3)n2)c2[nH+]ccn2C)c1 ZINC000601100388 520634960 /nfs/dbraw/zinc/63/49/60/520634960.db2.gz BGGJSYZTAHGVFU-SFHVURJKSA-N 1 2 360.421 2.591 20 30 FFEDLO Cc1cc(C#N)cc(N2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)n1 ZINC000601104434 520638750 /nfs/dbraw/zinc/63/87/50/520638750.db2.gz XEAOICPWHKICOG-UHFFFAOYSA-N 1 2 360.421 2.634 20 30 FFEDLO COCC[N@H+](CCC#N)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000610391638 520664248 /nfs/dbraw/zinc/66/42/48/520664248.db2.gz BEZOSZIRCYCKAM-CYBMUJFWSA-N 1 2 373.526 2.803 20 30 FFEDLO COCC[N@@H+](CCC#N)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000610391638 520664251 /nfs/dbraw/zinc/66/42/51/520664251.db2.gz BEZOSZIRCYCKAM-CYBMUJFWSA-N 1 2 373.526 2.803 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c(C#N)c1C ZINC000595748868 520695343 /nfs/dbraw/zinc/69/53/43/520695343.db2.gz XZWOKODTHGCTKF-ZWKOTPCHSA-N 1 2 367.449 2.805 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c(C#N)c1C ZINC000595748868 520695348 /nfs/dbraw/zinc/69/53/48/520695348.db2.gz XZWOKODTHGCTKF-ZWKOTPCHSA-N 1 2 367.449 2.805 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000610484849 520710333 /nfs/dbraw/zinc/71/03/33/520710333.db2.gz LBRKJMGQWXZFLW-LJQANCHMSA-N 1 2 356.447 2.875 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000610484849 520710337 /nfs/dbraw/zinc/71/03/37/520710337.db2.gz LBRKJMGQWXZFLW-LJQANCHMSA-N 1 2 356.447 2.875 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)Cc2cn[nH]c2)c1C#N ZINC000610487854 520711325 /nfs/dbraw/zinc/71/13/25/520711325.db2.gz ZVGZJXROFRCPLZ-UHFFFAOYSA-N 1 2 362.437 2.759 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)Cc2cn[nH]c2)c1C#N ZINC000610487854 520711336 /nfs/dbraw/zinc/71/13/36/520711336.db2.gz ZVGZJXROFRCPLZ-UHFFFAOYSA-N 1 2 362.437 2.759 20 30 FFEDLO N#Cc1cccc(C2([NH2+]Cc3nnc(-c4ccco4)o3)CCOCC2)c1 ZINC000595772625 520714423 /nfs/dbraw/zinc/71/44/23/520714423.db2.gz KEPQMWXGHPDWRU-UHFFFAOYSA-N 1 2 350.378 2.997 20 30 FFEDLO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000598613569 520744511 /nfs/dbraw/zinc/74/45/11/520744511.db2.gz JVYADLNTTQAYKA-INIZCTEOSA-N 1 2 371.506 2.960 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000610580921 520748411 /nfs/dbraw/zinc/74/84/11/520748411.db2.gz BEMQPADNXOMECR-MJGOQNOKSA-N 1 2 350.422 2.750 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000610580921 520748421 /nfs/dbraw/zinc/74/84/21/520748421.db2.gz BEMQPADNXOMECR-MJGOQNOKSA-N 1 2 350.422 2.750 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1ccccc1CC#N ZINC000601403724 520774858 /nfs/dbraw/zinc/77/48/58/520774858.db2.gz OGZJCZJLOPSZHW-UHFFFAOYSA-N 1 2 360.483 2.612 20 30 FFEDLO C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1F)C(=O)N(CCC#N)c1ccccc1 ZINC000595868707 520779292 /nfs/dbraw/zinc/77/92/92/520779292.db2.gz YOPNAZKXAOIDON-LIRRHRJNSA-N 1 2 373.403 2.923 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNc3nc4ncccc4cc3C#N)c[nH+]2)CCO1 ZINC000596075312 520897828 /nfs/dbraw/zinc/89/78/28/520897828.db2.gz GYQDKAVRQQVMMS-CQSZACIVSA-N 1 2 360.421 2.734 20 30 FFEDLO CCOC1CC(CNc2nc(C(C)(C)C)ccc2C#N)([NH+]2CCOCC2)C1 ZINC000618173794 520917365 /nfs/dbraw/zinc/91/73/65/520917365.db2.gz WUXYBIVFZYENTC-UHFFFAOYSA-N 1 2 372.513 2.933 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1ccc(F)cc1 ZINC000596110830 520920239 /nfs/dbraw/zinc/92/02/39/520920239.db2.gz UGISBEIJQDWLMK-YOEHRIQHSA-N 1 2 355.417 2.984 20 30 FFEDLO Cc1nc(N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(Br)c(C)[nH+]1 ZINC000596238450 520988172 /nfs/dbraw/zinc/98/81/72/520988172.db2.gz SULYJHUERDUELK-CYBMUJFWSA-N 1 2 374.242 2.780 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](C)Cc2ccc(OC)cc2OC)c1C#N ZINC000611126458 520997251 /nfs/dbraw/zinc/99/72/51/520997251.db2.gz KDGQKSFRBJESNC-UHFFFAOYSA-N 1 2 354.406 2.994 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2ccc(OC)cc2OC)c1C#N ZINC000611126458 520997260 /nfs/dbraw/zinc/99/72/60/520997260.db2.gz KDGQKSFRBJESNC-UHFFFAOYSA-N 1 2 354.406 2.994 20 30 FFEDLO N#Cc1cc(NC[C@@H]2CCC[N@@H+]2CC(F)F)nc2ccc([N+](=O)[O-])cc12 ZINC000599133640 521046771 /nfs/dbraw/zinc/04/67/71/521046771.db2.gz KAMQBQLYOPXISA-ZDUSSCGKSA-N 1 2 361.352 2.578 20 30 FFEDLO N#Cc1cc(NC[C@@H]2CCC[N@H+]2CC(F)F)nc2ccc([N+](=O)[O-])cc12 ZINC000599133640 521046778 /nfs/dbraw/zinc/04/67/78/521046778.db2.gz KAMQBQLYOPXISA-ZDUSSCGKSA-N 1 2 361.352 2.578 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+]1CCO[C@@H](C(F)F)CC1)c1cccc(Cl)c1 ZINC000601974044 521050772 /nfs/dbraw/zinc/05/07/72/521050772.db2.gz HNRMOYGKFJCEMG-OAHLLOKOSA-N 1 2 371.815 2.943 20 30 FFEDLO N#CCCN(C(=O)C[N@H+]1CCO[C@@H](C(F)F)CC1)c1cccc(Cl)c1 ZINC000601974044 521050778 /nfs/dbraw/zinc/05/07/78/521050778.db2.gz HNRMOYGKFJCEMG-OAHLLOKOSA-N 1 2 371.815 2.943 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601975128 521051080 /nfs/dbraw/zinc/05/10/80/521051080.db2.gz LSNRDYJAJGHVDX-HZMBPMFUSA-N 1 2 357.788 2.895 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601975128 521051090 /nfs/dbraw/zinc/05/10/90/521051090.db2.gz LSNRDYJAJGHVDX-HZMBPMFUSA-N 1 2 357.788 2.895 20 30 FFEDLO CC(C)(C)n1cc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1 ZINC000611260133 521063843 /nfs/dbraw/zinc/06/38/43/521063843.db2.gz VBTLNBBMTCWNIK-UHFFFAOYSA-N 1 2 354.458 2.697 20 30 FFEDLO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cccc(F)c3C#N)cn2)C[C@H](C)O1 ZINC000602004073 521071581 /nfs/dbraw/zinc/07/15/81/521071581.db2.gz KOJGELBEYGQNEQ-GASCZTMLSA-N 1 2 354.429 2.996 20 30 FFEDLO N#Cc1cc2c(nc1NC[C@@H]1C[N@H+](Cc3ccncc3)CCO1)CCCC2 ZINC000599183439 521075241 /nfs/dbraw/zinc/07/52/41/521075241.db2.gz NKVICMWGFHZVQF-LJQANCHMSA-N 1 2 363.465 2.540 20 30 FFEDLO N#Cc1cc2c(nc1NC[C@@H]1C[N@@H+](Cc3ccncc3)CCO1)CCCC2 ZINC000599183439 521075251 /nfs/dbraw/zinc/07/52/51/521075251.db2.gz NKVICMWGFHZVQF-LJQANCHMSA-N 1 2 363.465 2.540 20 30 FFEDLO C=CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1)c1ccccc1 ZINC000614666699 521082389 /nfs/dbraw/zinc/08/23/89/521082389.db2.gz XUFXXVSJJWLWPP-WMZOPIPTSA-N 1 2 354.454 2.758 20 30 FFEDLO C=CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1)c1ccccc1 ZINC000614666699 521082394 /nfs/dbraw/zinc/08/23/94/521082394.db2.gz XUFXXVSJJWLWPP-WMZOPIPTSA-N 1 2 354.454 2.758 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)C(C)(C)CO ZINC000596505469 521104044 /nfs/dbraw/zinc/10/40/44/521104044.db2.gz UBWGBXNZUFYOCV-SJORKVTESA-N 1 2 369.469 2.824 20 30 FFEDLO CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000599252137 521109163 /nfs/dbraw/zinc/10/91/63/521109163.db2.gz MBKZLCJYDCRFJZ-QGZVFWFLSA-N 1 2 358.486 2.832 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C2)[nH]1 ZINC000611348287 521110317 /nfs/dbraw/zinc/11/03/17/521110317.db2.gz SXTDSGJLHXWWHR-MRXNPFEDSA-N 1 2 361.453 2.859 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C2)[nH]1 ZINC000611348287 521110329 /nfs/dbraw/zinc/11/03/29/521110329.db2.gz SXTDSGJLHXWWHR-MRXNPFEDSA-N 1 2 361.453 2.859 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C2)n1 ZINC000611348287 521110337 /nfs/dbraw/zinc/11/03/37/521110337.db2.gz SXTDSGJLHXWWHR-MRXNPFEDSA-N 1 2 361.453 2.859 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C2)n1 ZINC000611348287 521110346 /nfs/dbraw/zinc/11/03/46/521110346.db2.gz SXTDSGJLHXWWHR-MRXNPFEDSA-N 1 2 361.453 2.859 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@H](C#N)c2ccc(F)cc2)cc1 ZINC000602058097 521110454 /nfs/dbraw/zinc/11/04/54/521110454.db2.gz OYONNNKYKFQCHW-MOPGFXCFSA-N 1 2 353.397 2.790 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@H](C#N)c2ccc(F)cc2)cc1 ZINC000602058097 521110461 /nfs/dbraw/zinc/11/04/61/521110461.db2.gz OYONNNKYKFQCHW-MOPGFXCFSA-N 1 2 353.397 2.790 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(NC(=O)C(C)C)CC2)c1C#N ZINC000611346058 521110873 /nfs/dbraw/zinc/11/08/73/521110873.db2.gz LBQGLAUQOQSTEA-UHFFFAOYSA-N 1 2 365.481 2.789 20 30 FFEDLO N#CCCC[C@@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000596606210 521163111 /nfs/dbraw/zinc/16/31/11/521163111.db2.gz LTAZKNVTWKIFQK-RBUKOAKNSA-N 1 2 356.470 2.538 20 30 FFEDLO CCc1c[nH]c(CC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)[nH+]1 ZINC000602144140 521170433 /nfs/dbraw/zinc/17/04/33/521170433.db2.gz NGMSUZBCBCVPAB-QGZVFWFLSA-N 1 2 371.872 2.577 20 30 FFEDLO C=C(C)C[N@@H+](C)CC(=O)Nc1sc(C(C)=O)c(C)c1C(=O)OCC ZINC000611501114 521190644 /nfs/dbraw/zinc/19/06/44/521190644.db2.gz LRLQYTNAFQEELT-UHFFFAOYSA-N 1 2 352.456 2.882 20 30 FFEDLO C=C(C)C[N@H+](C)CC(=O)Nc1sc(C(C)=O)c(C)c1C(=O)OCC ZINC000611501114 521190649 /nfs/dbraw/zinc/19/06/49/521190649.db2.gz LRLQYTNAFQEELT-UHFFFAOYSA-N 1 2 352.456 2.882 20 30 FFEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000614924802 521195176 /nfs/dbraw/zinc/19/51/76/521195176.db2.gz MMBGEDXGBIPGOO-WBVHZDCISA-N 1 2 367.371 2.707 20 30 FFEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000614924802 521195181 /nfs/dbraw/zinc/19/51/81/521195181.db2.gz MMBGEDXGBIPGOO-WBVHZDCISA-N 1 2 367.371 2.707 20 30 FFEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)cc1Cl ZINC000602198495 521206189 /nfs/dbraw/zinc/20/61/89/521206189.db2.gz LGUYJLOZEULKNF-UHFFFAOYSA-N 1 2 354.841 2.607 20 30 FFEDLO Cc1cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)nn1-c1cccc(C#N)c1 ZINC000611555918 521217985 /nfs/dbraw/zinc/21/79/85/521217985.db2.gz KVBGINOPJHYMQB-GOSISDBHSA-N 1 2 360.421 2.726 20 30 FFEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000611641218 521261265 /nfs/dbraw/zinc/26/12/65/521261265.db2.gz BSVJNCXDXPCMEO-IBGZPJMESA-N 1 2 372.513 2.617 20 30 FFEDLO C=CCn1c(Sc2cc(-n3cc[nH+]c3)ncn2)nnc1-c1ccncc1 ZINC000607142983 521274496 /nfs/dbraw/zinc/27/44/96/521274496.db2.gz RZUZEJKLKCFITG-UHFFFAOYSA-N 1 2 362.422 2.653 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(-c2cccc(Cl)c2F)no1 ZINC000602336063 521287805 /nfs/dbraw/zinc/28/78/05/521287805.db2.gz XKKQFJPDXQOEAG-INIZCTEOSA-N 1 2 350.781 2.708 20 30 FFEDLO C=CCCSCCNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000596803806 521296322 /nfs/dbraw/zinc/29/63/22/521296322.db2.gz UQOAYZKIOHCMKG-UHFFFAOYSA-N 1 2 350.488 2.657 20 30 FFEDLO CCOC(=O)[C@H](CC(C)C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611800293 521338917 /nfs/dbraw/zinc/33/89/17/521338917.db2.gz VJEJZZRUQUKDRF-OALUTQOASA-N 1 2 361.461 2.986 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599635401 521346633 /nfs/dbraw/zinc/34/66/33/521346633.db2.gz QZIWQSNFRXNMPO-UHFFFAOYSA-N 1 2 364.371 2.719 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599635401 521346638 /nfs/dbraw/zinc/34/66/38/521346638.db2.gz QZIWQSNFRXNMPO-UHFFFAOYSA-N 1 2 364.371 2.719 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000594057022 521375502 /nfs/dbraw/zinc/37/55/02/521375502.db2.gz XWQOMQXEYIPNLI-KNBMTAEXSA-N 1 2 354.454 2.991 20 30 FFEDLO COC[C@@]1(C)C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000599698302 521410915 /nfs/dbraw/zinc/41/09/15/521410915.db2.gz QNMDCCDVSMTKIU-WIYYLYMNSA-N 1 2 373.497 2.676 20 30 FFEDLO COC[C@@]1(C)C[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000599698302 521410918 /nfs/dbraw/zinc/41/09/18/521410918.db2.gz QNMDCCDVSMTKIU-WIYYLYMNSA-N 1 2 373.497 2.676 20 30 FFEDLO COC[C@@]1(C)C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000599698298 521411231 /nfs/dbraw/zinc/41/12/31/521411231.db2.gz QNMDCCDVSMTKIU-GHTZIAJQSA-N 1 2 373.497 2.676 20 30 FFEDLO COC[C@@]1(C)C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000599698298 521411237 /nfs/dbraw/zinc/41/12/37/521411237.db2.gz QNMDCCDVSMTKIU-GHTZIAJQSA-N 1 2 373.497 2.676 20 30 FFEDLO Cc1sc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)nc1C(C)C ZINC000596970518 521411553 /nfs/dbraw/zinc/41/15/53/521411553.db2.gz PDNICLPPIIREIZ-UHFFFAOYSA-N 1 2 365.503 2.655 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000597022512 521452066 /nfs/dbraw/zinc/45/20/66/521452066.db2.gz QISRJLLXANSTKV-SFTDATJTSA-N 1 2 369.509 2.720 20 30 FFEDLO C=CC[N@H+](C[C@H]1CNc2ccnn2C1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000619266735 521483637 /nfs/dbraw/zinc/48/36/37/521483637.db2.gz SSBSKHNFJGTHNX-MOPGFXCFSA-N 1 2 368.481 2.587 20 30 FFEDLO C=CC[N@@H+](C[C@H]1CNc2ccnn2C1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000619266735 521483645 /nfs/dbraw/zinc/48/36/45/521483645.db2.gz SSBSKHNFJGTHNX-MOPGFXCFSA-N 1 2 368.481 2.587 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@](C)(C#N)C2)cc1OC ZINC000612166925 521516252 /nfs/dbraw/zinc/51/62/52/521516252.db2.gz YMAMVGFTABSHDK-LAUBAEHRSA-N 1 2 371.481 2.993 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@](C)(C#N)C2)cc1OC ZINC000612166925 521516258 /nfs/dbraw/zinc/51/62/58/521516258.db2.gz YMAMVGFTABSHDK-LAUBAEHRSA-N 1 2 371.481 2.993 20 30 FFEDLO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612167414 521516863 /nfs/dbraw/zinc/51/68/63/521516863.db2.gz YKWWKXLTQYJAJL-AUSJPIAWSA-N 1 2 359.470 2.895 20 30 FFEDLO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612167414 521516868 /nfs/dbraw/zinc/51/68/68/521516868.db2.gz YKWWKXLTQYJAJL-AUSJPIAWSA-N 1 2 359.470 2.895 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1Br ZINC000615763789 521523373 /nfs/dbraw/zinc/52/33/73/521523373.db2.gz UHLCEHZZYWGJJX-RISCZKNCSA-N 1 2 359.227 2.589 20 30 FFEDLO N#CCc1cccc(S(=O)(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000619496330 521598834 /nfs/dbraw/zinc/59/88/34/521598834.db2.gz STJPZGVAOXWQKM-UHFFFAOYSA-N 1 2 372.494 2.830 20 30 FFEDLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000616133093 521627949 /nfs/dbraw/zinc/62/79/49/521627949.db2.gz XLBVLOFZDNBZCT-MRXNPFEDSA-N 1 2 366.440 2.524 20 30 FFEDLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000616133093 521627951 /nfs/dbraw/zinc/62/79/51/521627951.db2.gz XLBVLOFZDNBZCT-MRXNPFEDSA-N 1 2 366.440 2.524 20 30 FFEDLO C=C[C@H](Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)C(=O)OC ZINC000619687012 521824993 /nfs/dbraw/zinc/82/49/93/521824993.db2.gz HQWHEBASZWCENG-HNNXBMFYSA-N 1 2 358.467 2.683 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2Cc3ccc(O)cc3C2)c(OC)c1 ZINC000625725303 523645529 /nfs/dbraw/zinc/64/55/29/523645529.db2.gz QDBYIWLJKVFCPI-LJQANCHMSA-N 1 2 355.434 2.885 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2Cc3ccc(O)cc3C2)c(OC)c1 ZINC000625725303 523645541 /nfs/dbraw/zinc/64/55/41/523645541.db2.gz QDBYIWLJKVFCPI-LJQANCHMSA-N 1 2 355.434 2.885 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C2(c3ccccc3C)CCC2)c1C#N ZINC000530418388 562410423 /nfs/dbraw/zinc/41/04/23/562410423.db2.gz AQSWDDADLHINFT-UHFFFAOYSA-N 1 2 351.454 2.802 20 30 FFEDLO CC(C)c1ccc(C#N)c(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165007084 721697096 /nfs/dbraw/zinc/69/70/96/721697096.db2.gz AEMGEJGYVHNDDD-UHFFFAOYSA-N 1 2 367.501 2.919 20 30 FFEDLO CC(C)c1ccc(C#N)c(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165007084 721697101 /nfs/dbraw/zinc/69/71/01/721697101.db2.gz AEMGEJGYVHNDDD-UHFFFAOYSA-N 1 2 367.501 2.919 20 30 FFEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000156801379 728859321 /nfs/dbraw/zinc/85/93/21/728859321.db2.gz SALXQOOFYJHKDJ-UHFFFAOYSA-N 1 2 372.837 2.876 20 30 FFEDLO N#Cc1c(F)cccc1C[NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1 ZINC000898290116 735337703 /nfs/dbraw/zinc/33/77/03/735337703.db2.gz MOHSPHTUROFXQW-UHFFFAOYSA-N 1 2 359.426 2.891 20 30 FFEDLO N#Cc1ccc(OCC[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000121625224 728633420 /nfs/dbraw/zinc/63/34/20/728633420.db2.gz OWRZRTFHQXZCGJ-FUHWJXTLSA-N 1 2 358.463 2.823 20 30 FFEDLO N#Cc1ccc(OCC[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000121625224 728633423 /nfs/dbraw/zinc/63/34/23/728633423.db2.gz OWRZRTFHQXZCGJ-FUHWJXTLSA-N 1 2 358.463 2.823 20 30 FFEDLO NC(=[NH+]OCc1nnc(-c2ccccc2)s1)c1ccc2c(c1)CCO2 ZINC000128137283 728708077 /nfs/dbraw/zinc/70/80/77/728708077.db2.gz CLMLVKJFLABMNF-UHFFFAOYSA-N 1 2 352.419 2.977 20 30 FFEDLO C=C(Br)CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245710873 729574699 /nfs/dbraw/zinc/57/46/99/729574699.db2.gz SWNIPSQRUWGFIZ-UONOGXRCSA-N 1 2 374.229 2.918 20 30 FFEDLO C=C(Br)CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245710873 729574701 /nfs/dbraw/zinc/57/47/01/729574701.db2.gz SWNIPSQRUWGFIZ-UONOGXRCSA-N 1 2 374.229 2.918 20 30 FFEDLO C#CCSCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246450306 729586353 /nfs/dbraw/zinc/58/63/53/729586353.db2.gz IXDDYUVQYPJRFH-HZPDHXFCSA-N 1 2 369.893 2.890 20 30 FFEDLO C#CCSCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246450306 729586357 /nfs/dbraw/zinc/58/63/57/729586357.db2.gz IXDDYUVQYPJRFH-HZPDHXFCSA-N 1 2 369.893 2.890 20 30 FFEDLO COc1ccc(-c2nc3c(s2)C(=NNC2=[NH+]C[C@H](C)N2)CCC3)cc1 ZINC000779800849 738485148 /nfs/dbraw/zinc/48/51/48/738485148.db2.gz QMFWFCIUJZNIGF-NSHDSACASA-N 1 2 355.467 2.796 20 30 FFEDLO C=C(C)C[C@H](CO)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000878012852 732467710 /nfs/dbraw/zinc/46/77/10/732467710.db2.gz UPPNSAVIVUCODW-ZIAGYGMSSA-N 1 2 352.504 2.824 20 30 FFEDLO C=C(C)C[C@H](CO)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000878012852 732467715 /nfs/dbraw/zinc/46/77/15/732467715.db2.gz UPPNSAVIVUCODW-ZIAGYGMSSA-N 1 2 352.504 2.824 20 30 FFEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000880481800 732913871 /nfs/dbraw/zinc/91/38/71/732913871.db2.gz OOVBIRXFBVAMNB-UHFFFAOYSA-N 1 2 355.463 2.599 20 30 FFEDLO C#CCC1(O)CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000880483650 732913932 /nfs/dbraw/zinc/91/39/32/732913932.db2.gz IGLZZOTVRXNDOE-INIZCTEOSA-N 1 2 367.276 2.949 20 30 FFEDLO CC(=[NH+]Nc1ccc(S(=O)(=O)N(C)C)cc1)c1c(C)cc(N)cc1C ZINC000884471177 733528602 /nfs/dbraw/zinc/52/86/02/733528602.db2.gz NFBXPVVFLCSWJI-UHFFFAOYSA-N 1 2 360.483 2.972 20 30 FFEDLO COCC#CC[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000677819851 733968200 /nfs/dbraw/zinc/96/82/00/733968200.db2.gz BTLVXNBVGOQDOC-OAHLLOKOSA-N 1 2 351.288 2.778 20 30 FFEDLO N#Cc1csc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000887982033 734000630 /nfs/dbraw/zinc/00/06/30/734000630.db2.gz RNBRJERJMQERBT-MRXNPFEDSA-N 1 2 358.442 2.825 20 30 FFEDLO N#Cc1csc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000887982033 734000633 /nfs/dbraw/zinc/00/06/33/734000633.db2.gz RNBRJERJMQERBT-MRXNPFEDSA-N 1 2 358.442 2.825 20 30 FFEDLO C[C@H]1CCN(C(=O)Nc2nc(Cl)c(C#N)s2)C[C@H]1n1cc[nH+]c1 ZINC000888414186 734051947 /nfs/dbraw/zinc/05/19/47/734051947.db2.gz PBDNLHLIOHAWCY-VHSXEESVSA-N 1 2 350.835 2.980 20 30 FFEDLO C[N@@H+]1CCO[C@@H]([C@H](NCc2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000783294842 738798561 /nfs/dbraw/zinc/79/85/61/738798561.db2.gz WZFICMJNGJEXFI-RTBURBONSA-N 1 2 356.857 2.768 20 30 FFEDLO C[N@H+]1CCO[C@@H]([C@H](NCc2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000783294842 738798567 /nfs/dbraw/zinc/79/85/67/738798567.db2.gz WZFICMJNGJEXFI-RTBURBONSA-N 1 2 356.857 2.768 20 30 FFEDLO CN1CCO[C@@H]([C@H]([NH2+]Cc2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000783294842 738798568 /nfs/dbraw/zinc/79/85/68/738798568.db2.gz WZFICMJNGJEXFI-RTBURBONSA-N 1 2 356.857 2.768 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnn(Cc3ccccc3Cl)c2)C1=O ZINC000684966492 734285534 /nfs/dbraw/zinc/28/55/34/734285534.db2.gz HPHOCNZWNYSCKG-SFHVURJKSA-N 1 2 358.873 2.804 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnn(Cc3ccccc3Cl)c2)C1=O ZINC000684966492 734285538 /nfs/dbraw/zinc/28/55/38/734285538.db2.gz HPHOCNZWNYSCKG-SFHVURJKSA-N 1 2 358.873 2.804 20 30 FFEDLO C#CCNC(=O)C1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000726593407 734435726 /nfs/dbraw/zinc/43/57/26/734435726.db2.gz QSNPKYDSJRCZGU-UHFFFAOYSA-N 1 2 372.266 2.963 20 30 FFEDLO N#CCOc1ccc(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000732053780 734714568 /nfs/dbraw/zinc/71/45/68/734714568.db2.gz FNXGNCXUZXTBOH-UHFFFAOYSA-N 1 2 355.463 2.537 20 30 FFEDLO C#CC[C@@H]([NH2+]Cc1cn(C)nc1I)c1ccccc1 ZINC000894361239 734845477 /nfs/dbraw/zinc/84/54/77/734845477.db2.gz FUFABFRUXRLPKE-CQSZACIVSA-N 1 2 365.218 2.879 20 30 FFEDLO C#CCOc1ccccc1C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000734159930 734878300 /nfs/dbraw/zinc/87/83/00/734878300.db2.gz RSZGKFNEMYEBBZ-KRWDZBQOSA-N 1 2 373.250 2.777 20 30 FFEDLO CC(=NNC(=S)NCC1CCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735614183 734953070 /nfs/dbraw/zinc/95/30/70/734953070.db2.gz QQIKVJAUSKSLQX-GOSISDBHSA-N 1 2 360.527 2.528 20 30 FFEDLO CC(=NNC(=S)NCC1CCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735614183 734953071 /nfs/dbraw/zinc/95/30/71/734953071.db2.gz QQIKVJAUSKSLQX-GOSISDBHSA-N 1 2 360.527 2.528 20 30 FFEDLO C#CC1(O)CC[NH+](Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000895382449 734998647 /nfs/dbraw/zinc/99/86/47/734998647.db2.gz GGDDKPZLZHEABY-UHFFFAOYSA-N 1 2 366.255 2.571 20 30 FFEDLO C#CC[NH+]1CCC(Nc2ccc(S(C)(=O)=O)cc2C(F)(F)F)CC1 ZINC000895807818 735057857 /nfs/dbraw/zinc/05/78/57/735057857.db2.gz CUQUVQJJDIWDOB-UHFFFAOYSA-N 1 2 360.401 2.618 20 30 FFEDLO C=C(Br)COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741350883 735136053 /nfs/dbraw/zinc/13/60/53/735136053.db2.gz CIVOQGZSIZDXPD-HNNXBMFYSA-N 1 2 354.244 2.729 20 30 FFEDLO C=C(Br)COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741350883 735136056 /nfs/dbraw/zinc/13/60/56/735136056.db2.gz CIVOQGZSIZDXPD-HNNXBMFYSA-N 1 2 354.244 2.729 20 30 FFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CC(C)(C)C#N)[C@H]1c1ccc(Cl)cc1 ZINC000790044067 739411585 /nfs/dbraw/zinc/41/15/85/739411585.db2.gz JFOHUNCAXWSFNF-LSDHHAIUSA-N 1 2 355.891 2.554 20 30 FFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CC(C)(C)C#N)[C@H]1c1ccc(Cl)cc1 ZINC000790044067 739411588 /nfs/dbraw/zinc/41/15/88/739411588.db2.gz JFOHUNCAXWSFNF-LSDHHAIUSA-N 1 2 355.891 2.554 20 30 FFEDLO C=C(Cl)C[NH2+][C@@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000753680331 736086521 /nfs/dbraw/zinc/08/65/21/736086521.db2.gz SNAAOSJKRVYRNC-INIZCTEOSA-N 1 2 356.297 2.921 20 30 FFEDLO CC(=[NH+]Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(N)cc1C ZINC000758120609 736453756 /nfs/dbraw/zinc/45/37/56/736453756.db2.gz NMQWDUHWMUOQLH-UHFFFAOYSA-N 1 2 358.467 2.854 20 30 FFEDLO C#CCCCCNC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000758894060 736529785 /nfs/dbraw/zinc/52/97/85/736529785.db2.gz HEVYAGYFTRAZIY-UHFFFAOYSA-N 1 2 363.889 2.850 20 30 FFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cccc(C#CCO)c2)CC1 ZINC000907413648 736623665 /nfs/dbraw/zinc/62/36/65/736623665.db2.gz XYZDMEYSUPGVQE-MRXNPFEDSA-N 1 2 354.475 2.611 20 30 FFEDLO C#CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000764737847 737045339 /nfs/dbraw/zinc/04/53/39/737045339.db2.gz HBGFRKJGXRFTSO-ROUUACIJSA-N 1 2 361.873 2.519 20 30 FFEDLO C#CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000764737847 737045344 /nfs/dbraw/zinc/04/53/44/737045344.db2.gz HBGFRKJGXRFTSO-ROUUACIJSA-N 1 2 361.873 2.519 20 30 FFEDLO C#CCCCSCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000766737014 737257492 /nfs/dbraw/zinc/25/74/92/737257492.db2.gz GNJRVAHXKWPFLC-UHFFFAOYSA-N 1 2 360.527 2.704 20 30 FFEDLO C#CC[NH+]1CCC(C(=O)O[C@H](Cc2ccc(Cl)cc2F)C(C)=O)CC1 ZINC000768692713 737450179 /nfs/dbraw/zinc/45/01/79/737450179.db2.gz ICZKTPUPKNUAGO-GOSISDBHSA-N 1 2 365.832 2.868 20 30 FFEDLO Cc1sc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)c(C#N)c1C ZINC000917558952 737764361 /nfs/dbraw/zinc/76/43/61/737764361.db2.gz DFSQSLOMHOGTAD-UHFFFAOYSA-N 1 2 357.483 2.821 20 30 FFEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccccc2Br)CC1 ZINC000772110993 737787406 /nfs/dbraw/zinc/78/74/06/737787406.db2.gz XRVNDSAHPUFBPS-UHFFFAOYSA-N 1 2 364.239 2.520 20 30 FFEDLO C=C(C)CC[NH+]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000775559263 738101694 /nfs/dbraw/zinc/10/16/94/738101694.db2.gz USEBVDNDMJBUBA-UHFFFAOYSA-N 1 2 362.417 2.978 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](C[C@@H]3CCC[C@H](C(F)(F)F)O3)CC2)c1 ZINC000929270477 738963433 /nfs/dbraw/zinc/96/34/33/738963433.db2.gz SATRYWJRWRKVJF-LSDHHAIUSA-N 1 2 354.376 2.575 20 30 FFEDLO N#Cc1cncc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000929339422 738972469 /nfs/dbraw/zinc/97/24/69/738972469.db2.gz ZPHKCQDXMPEZRV-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO N#Cc1cncc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000929339422 738972472 /nfs/dbraw/zinc/97/24/72/738972472.db2.gz ZPHKCQDXMPEZRV-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO N#Cc1cc(Cl)cc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)c1 ZINC000929672031 739009971 /nfs/dbraw/zinc/00/99/71/739009971.db2.gz GFRZLLKFJRUFTN-UHFFFAOYSA-N 1 2 354.841 2.633 20 30 FFEDLO C=CC[N@@H+](CCC1(C(=O)OC(C)(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000929975317 739044288 /nfs/dbraw/zinc/04/42/88/739044288.db2.gz FHWLAVMSPJIQIA-HNNXBMFYSA-N 1 2 357.516 2.564 20 30 FFEDLO C=CC[N@H+](CCC1(C(=O)OC(C)(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000929975317 739044291 /nfs/dbraw/zinc/04/42/91/739044291.db2.gz FHWLAVMSPJIQIA-HNNXBMFYSA-N 1 2 357.516 2.564 20 30 FFEDLO CC[C@@H]1C[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)CCN1CC(F)F ZINC000930142461 739064970 /nfs/dbraw/zinc/06/49/70/739064970.db2.gz IJFSUKFRJWSAQI-KOLCDFICSA-N 1 2 354.310 2.596 20 30 FFEDLO CC[C@@H]1C[N@@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)CCN1CC(F)F ZINC000930142461 739064975 /nfs/dbraw/zinc/06/49/75/739064975.db2.gz IJFSUKFRJWSAQI-KOLCDFICSA-N 1 2 354.310 2.596 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000788330707 739233988 /nfs/dbraw/zinc/23/39/88/739233988.db2.gz CTPZHEYWDUGZFO-GFCCVEGCSA-N 1 2 352.891 2.561 20 30 FFEDLO C[N@H+](Cc1nc(C#N)cs1)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC000933498682 739636771 /nfs/dbraw/zinc/63/67/71/739636771.db2.gz KCKCSNRIINXQSI-UHFFFAOYSA-N 1 2 366.487 2.520 20 30 FFEDLO C[N@@H+](Cc1nc(C#N)cs1)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC000933498682 739636774 /nfs/dbraw/zinc/63/67/74/739636774.db2.gz KCKCSNRIINXQSI-UHFFFAOYSA-N 1 2 366.487 2.520 20 30 FFEDLO C#CCNC(=O)C[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000792940280 739720937 /nfs/dbraw/zinc/72/09/37/739720937.db2.gz JLVHGHQUJJGODU-UHFFFAOYSA-N 1 2 352.278 2.905 20 30 FFEDLO C#CCNC(=O)C[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000792940280 739720941 /nfs/dbraw/zinc/72/09/41/739720941.db2.gz JLVHGHQUJJGODU-UHFFFAOYSA-N 1 2 352.278 2.905 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccncc1Cl ZINC000960885448 740626839 /nfs/dbraw/zinc/62/68/39/740626839.db2.gz VPTDANLTWVOTIT-JZXOWHBKSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccncc1Cl ZINC000960885448 740626841 /nfs/dbraw/zinc/62/68/41/740626841.db2.gz VPTDANLTWVOTIT-JZXOWHBKSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000982173106 741198995 /nfs/dbraw/zinc/19/89/95/741198995.db2.gz CXCNDOWNBPRNOO-ROUUACIJSA-N 1 2 359.495 2.635 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000982173106 741198998 /nfs/dbraw/zinc/19/89/98/741198998.db2.gz CXCNDOWNBPRNOO-ROUUACIJSA-N 1 2 359.495 2.635 20 30 FFEDLO CN(C)C(=O)OC1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000815188435 741910369 /nfs/dbraw/zinc/91/03/69/741910369.db2.gz BCHGENGREIVTHT-UHFFFAOYSA-N 1 2 353.369 2.822 20 30 FFEDLO C=CCC(F)(F)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000815975155 741979836 /nfs/dbraw/zinc/97/98/36/741979836.db2.gz CFALBMGKHDISLR-UHFFFAOYSA-N 1 2 351.397 2.501 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001008576368 742383638 /nfs/dbraw/zinc/38/36/38/742383638.db2.gz UYZXFJINXHCNPW-LESCRADOSA-N 1 2 364.873 2.717 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001008576368 742383642 /nfs/dbraw/zinc/38/36/42/742383642.db2.gz UYZXFJINXHCNPW-LESCRADOSA-N 1 2 364.873 2.717 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2nc(C)cs2)C1 ZINC001008796134 742404166 /nfs/dbraw/zinc/40/41/66/742404166.db2.gz UGSVENVYTZKNLA-RYRKJORJSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2nc(C)cs2)C1 ZINC001008796134 742404170 /nfs/dbraw/zinc/40/41/70/742404170.db2.gz UGSVENVYTZKNLA-RYRKJORJSA-N 1 2 363.527 2.903 20 30 FFEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1cc(Cl)nc(Cl)c1 ZINC000819828741 742435835 /nfs/dbraw/zinc/43/58/35/742435835.db2.gz ONQHKOJPKJMCQR-UHFFFAOYSA-N 1 2 369.256 2.713 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001014801959 742472730 /nfs/dbraw/zinc/47/27/30/742472730.db2.gz RUSYNCXTUPZMGX-QRQLOZEOSA-N 1 2 360.885 2.697 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001014801959 742472734 /nfs/dbraw/zinc/47/27/34/742472734.db2.gz RUSYNCXTUPZMGX-QRQLOZEOSA-N 1 2 360.885 2.697 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001015817166 742482405 /nfs/dbraw/zinc/48/24/05/742482405.db2.gz WHSFZCOQHXTXSH-RYRKJORJSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001015817166 742482408 /nfs/dbraw/zinc/48/24/08/742482408.db2.gz WHSFZCOQHXTXSH-RYRKJORJSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](C/C(Cl)=C/Cl)CC2 ZINC001016836791 742496382 /nfs/dbraw/zinc/49/63/82/742496382.db2.gz ODFKBXVJPQNHGJ-RLAMRULNSA-N 1 2 359.297 2.867 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ncc(C)s1 ZINC001024443386 742725918 /nfs/dbraw/zinc/72/59/18/742725918.db2.gz HYSUFTPUPBFYTB-BBWFWOEESA-N 1 2 363.527 2.903 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ncc(C)s1 ZINC001024443386 742725922 /nfs/dbraw/zinc/72/59/22/742725922.db2.gz HYSUFTPUPBFYTB-BBWFWOEESA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001027501215 742772638 /nfs/dbraw/zinc/77/26/38/742772638.db2.gz UWINWSLQZBJZJG-ZNMIVQPWSA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001027501215 742772642 /nfs/dbraw/zinc/77/26/42/742772642.db2.gz UWINWSLQZBJZJG-ZNMIVQPWSA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccncc1Cl ZINC001028197852 742790543 /nfs/dbraw/zinc/79/05/43/742790543.db2.gz SPBWYXORBRILSU-RYRKJORJSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccncc1Cl ZINC001028197852 742790546 /nfs/dbraw/zinc/79/05/46/742790546.db2.gz SPBWYXORBRILSU-RYRKJORJSA-N 1 2 363.889 2.797 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033432122 742887603 /nfs/dbraw/zinc/88/76/03/742887603.db2.gz NYMMWFQHBPTCBX-SUMDDJOVSA-N 1 2 360.885 2.649 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033432122 742887615 /nfs/dbraw/zinc/88/76/15/742887615.db2.gz NYMMWFQHBPTCBX-SUMDDJOVSA-N 1 2 360.885 2.649 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001033836767 742897787 /nfs/dbraw/zinc/89/77/87/742897787.db2.gz JZGCPMGJTXYVHH-KURKYZTESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001033836767 742897793 /nfs/dbraw/zinc/89/77/93/742897793.db2.gz JZGCPMGJTXYVHH-KURKYZTESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001034300970 742918338 /nfs/dbraw/zinc/91/83/38/742918338.db2.gz DFTJCVMKYDIBTP-INMHGKMJSA-N 1 2 371.319 2.825 20 30 FFEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001034300970 742918340 /nfs/dbraw/zinc/91/83/40/742918340.db2.gz DFTJCVMKYDIBTP-INMHGKMJSA-N 1 2 371.319 2.825 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2csc(CC)n2)C1 ZINC001034409279 742924879 /nfs/dbraw/zinc/92/48/79/742924879.db2.gz QSWIIABJXVQJRJ-UAGQMJEPSA-N 1 2 363.527 2.767 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2csc(CC)n2)C1 ZINC001034409279 742924885 /nfs/dbraw/zinc/92/48/85/742924885.db2.gz QSWIIABJXVQJRJ-UAGQMJEPSA-N 1 2 363.527 2.767 20 30 FFEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001034443588 742927380 /nfs/dbraw/zinc/92/73/80/742927380.db2.gz XTTHBPMOWQXODI-PMPSAXMXSA-N 1 2 371.319 2.847 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001034443588 742927383 /nfs/dbraw/zinc/92/73/83/742927383.db2.gz XTTHBPMOWQXODI-PMPSAXMXSA-N 1 2 371.319 2.847 20 30 FFEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1 ZINC001035367700 742948016 /nfs/dbraw/zinc/94/80/16/742948016.db2.gz JZOJIRWEECCACZ-XJCPWDRGSA-N 1 2 360.420 2.604 20 30 FFEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1 ZINC001035367700 742948019 /nfs/dbraw/zinc/94/80/19/742948019.db2.gz JZOJIRWEECCACZ-XJCPWDRGSA-N 1 2 360.420 2.604 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2ccncc2)s1 ZINC001038273899 742965809 /nfs/dbraw/zinc/96/58/09/742965809.db2.gz QURVQCLFEPQACC-JCGIZDLHSA-N 1 2 352.463 2.509 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2ccncc2)s1 ZINC001038273899 742965812 /nfs/dbraw/zinc/96/58/12/742965812.db2.gz QURVQCLFEPQACC-JCGIZDLHSA-N 1 2 352.463 2.509 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C(F)F)c1 ZINC001038714921 742978954 /nfs/dbraw/zinc/97/89/54/742978954.db2.gz XNIQGMBTGLANKO-BBWFWOEESA-N 1 2 350.409 2.906 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C(F)F)c1 ZINC001038714921 742978959 /nfs/dbraw/zinc/97/89/59/742978959.db2.gz XNIQGMBTGLANKO-BBWFWOEESA-N 1 2 350.409 2.906 20 30 FFEDLO C[N@@H+](Cc1nc(C#N)cs1)C[C@H](O)c1ccccc1Br ZINC000825305457 743245149 /nfs/dbraw/zinc/24/51/49/743245149.db2.gz JNXXICAAIANIHB-ZDUSSCGKSA-N 1 2 352.257 2.943 20 30 FFEDLO C[N@H+](Cc1nc(C#N)cs1)C[C@H](O)c1ccccc1Br ZINC000825305457 743245158 /nfs/dbraw/zinc/24/51/58/743245158.db2.gz JNXXICAAIANIHB-ZDUSSCGKSA-N 1 2 352.257 2.943 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2csc(CC)n2)C1 ZINC001046325711 743318016 /nfs/dbraw/zinc/31/80/16/743318016.db2.gz AWVWJJCHUQJVHL-GJYPPUQNSA-N 1 2 363.527 2.767 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2csc(CC)n2)C1 ZINC001046325711 743318021 /nfs/dbraw/zinc/31/80/21/743318021.db2.gz AWVWJJCHUQJVHL-GJYPPUQNSA-N 1 2 363.527 2.767 20 30 FFEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)C#Cc3cccs3)CC2)cc1 ZINC000826543197 743392835 /nfs/dbraw/zinc/39/28/35/743392835.db2.gz KRCURTYLQSYVOW-UHFFFAOYSA-N 1 2 353.491 2.951 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1OCC[C@H]1CC ZINC001049527854 743468901 /nfs/dbraw/zinc/46/89/01/743468901.db2.gz WCLYIERMKZBSBC-WCVJEAGWSA-N 1 2 371.319 2.775 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1OCC[C@H]1CC ZINC001049527854 743468904 /nfs/dbraw/zinc/46/89/04/743468904.db2.gz WCLYIERMKZBSBC-WCVJEAGWSA-N 1 2 371.319 2.775 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@@H](C)O1 ZINC001049732611 743482685 /nfs/dbraw/zinc/48/26/85/743482685.db2.gz OLYVIGAWJJIKFQ-APIJFGDWSA-N 1 2 357.292 2.528 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@@H](C)O1 ZINC001049732611 743482693 /nfs/dbraw/zinc/48/26/93/743482693.db2.gz OLYVIGAWJJIKFQ-APIJFGDWSA-N 1 2 357.292 2.528 20 30 FFEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)CC1 ZINC001052056539 743571836 /nfs/dbraw/zinc/57/18/36/743571836.db2.gz FJKLXOKBGNWCOK-CADBVGFASA-N 1 2 365.949 2.784 20 30 FFEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)CC1 ZINC001052031323 743572005 /nfs/dbraw/zinc/57/20/05/743572005.db2.gz JXRQMWLRYRDOLE-FCGDIQPGSA-N 1 2 363.933 2.560 20 30 FFEDLO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NNC=C3CC3(F)F)[nH+]c2)C1 ZINC000834930948 745925064 /nfs/dbraw/zinc/92/50/64/745925064.db2.gz YUHNVUQPHTXFHM-JHJVBQTASA-N 1 2 372.441 2.801 20 30 FFEDLO C=CCONC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000838704408 746698781 /nfs/dbraw/zinc/69/87/81/746698781.db2.gz PPVMDDWSEZUQEV-UHFFFAOYSA-N 1 2 359.348 2.530 20 30 FFEDLO Cc1ncc(CO)c(/C=N\CC[N@@H+]2CCc3c(Cl)cccc3C2)c1O ZINC000840705958 747163280 /nfs/dbraw/zinc/16/32/80/747163280.db2.gz JFNKIHAYBCMGSX-FBHDLOMBSA-N 1 2 359.857 2.719 20 30 FFEDLO Cc1ncc(CO)c(/C=N\CC[N@H+]2CCc3c(Cl)cccc3C2)c1O ZINC000840705958 747163290 /nfs/dbraw/zinc/16/32/90/747163290.db2.gz JFNKIHAYBCMGSX-FBHDLOMBSA-N 1 2 359.857 2.719 20 30 FFEDLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000845278910 748218495 /nfs/dbraw/zinc/21/84/95/748218495.db2.gz XJNOQIIKMOEBTG-NWDGAFQWSA-N 1 2 360.801 2.930 20 30 FFEDLO CCOc1ccc(OCC)c(NC(=S)NN=Cc2c[nH+]c(C)n2C)c1 ZINC000853300355 750045957 /nfs/dbraw/zinc/04/59/57/750045957.db2.gz KNTTWMXCJLPUIC-UHFFFAOYSA-N 1 2 361.471 2.846 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(c2cc(Br)cnc2C#N)CC1 ZINC000853337045 750049923 /nfs/dbraw/zinc/04/99/23/750049923.db2.gz BUXZUSFJOYMQOU-CYBMUJFWSA-N 1 2 372.270 2.994 20 30 FFEDLO C#CCCN(CCOC)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000853873094 750187758 /nfs/dbraw/zinc/18/77/58/750187758.db2.gz SJKQRPKMBQUISO-UHFFFAOYSA-N 1 2 350.488 2.633 20 30 FFEDLO C#Cc1cc(Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc[nH+]1 ZINC001174249621 1013114990 /nfs/dbraw/zinc/11/49/90/1013114990.db2.gz KJUWFZNDYYOPOB-UHFFFAOYSA-N 1 2 363.442 2.707 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C[C@H]21 ZINC000975018269 972314304 /nfs/dbraw/zinc/31/43/04/972314304.db2.gz PYWSAYHNTJZSNP-CEQIKUNHSA-N 1 2 366.465 2.610 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)CC1(C)C ZINC000975052526 972345723 /nfs/dbraw/zinc/34/57/23/972345723.db2.gz AUDXFPXEHHYNLU-BPQIPLTHSA-N 1 2 364.436 2.883 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cc2F)CC1(C)C ZINC000975052526 972345726 /nfs/dbraw/zinc/34/57/26/972345726.db2.gz AUDXFPXEHHYNLU-BPQIPLTHSA-N 1 2 364.436 2.883 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cc4n(n3)CCC4)C[C@H]2C)CCCC1 ZINC001211495831 959330373 /nfs/dbraw/zinc/33/03/73/959330373.db2.gz YKEGATRNTJSVKZ-VQIMIIECSA-N 1 2 356.514 2.902 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cc4n(n3)CCC4)C[C@H]2C)CCCC1 ZINC001211495831 959330390 /nfs/dbraw/zinc/33/03/90/959330390.db2.gz YKEGATRNTJSVKZ-VQIMIIECSA-N 1 2 356.514 2.902 20 30 FFEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)C#Cc2ccccc2)c2ccc(Cl)cc2)C1 ZINC000126894300 959498320 /nfs/dbraw/zinc/49/83/20/959498320.db2.gz DJZGSRWKKZYJDP-PZJWPPBQSA-N 1 2 368.864 2.880 20 30 FFEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)C#Cc2ccccc2)c2ccc(Cl)cc2)C1 ZINC000126894300 959498330 /nfs/dbraw/zinc/49/83/30/959498330.db2.gz DJZGSRWKKZYJDP-PZJWPPBQSA-N 1 2 368.864 2.880 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969690894 959766602 /nfs/dbraw/zinc/76/66/02/959766602.db2.gz CVRZVFVUBNUFDR-QMIHWGKISA-N 1 2 371.456 2.615 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1cc(OC)ccc1Cl ZINC001266337238 959937909 /nfs/dbraw/zinc/93/79/09/959937909.db2.gz BNNMTXOTQZEEJS-WMZOPIPTSA-N 1 2 366.889 2.878 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+](C)Cc1cc(OC)ccc1Cl ZINC001266337238 959937920 /nfs/dbraw/zinc/93/79/20/959937920.db2.gz BNNMTXOTQZEEJS-WMZOPIPTSA-N 1 2 366.889 2.878 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872318023 1013210560 /nfs/dbraw/zinc/21/05/60/1013210560.db2.gz KJAMKUYJHDJKEJ-QGZVFWFLSA-N 1 2 363.465 2.669 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCN(C)c2ncccc2C1 ZINC000872318023 1013210567 /nfs/dbraw/zinc/21/05/67/1013210567.db2.gz KJAMKUYJHDJKEJ-QGZVFWFLSA-N 1 2 363.465 2.669 20 30 FFEDLO Cn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)c1 ZINC001095308560 1013240870 /nfs/dbraw/zinc/24/08/70/1013240870.db2.gz UBELOHDSEWVQCE-NEWSRXKRSA-N 1 2 352.413 2.571 20 30 FFEDLO Cn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)c1 ZINC001095308560 1013240874 /nfs/dbraw/zinc/24/08/74/1013240874.db2.gz UBELOHDSEWVQCE-NEWSRXKRSA-N 1 2 352.413 2.571 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2nc3ccccc3o2)C1 ZINC000970569268 961727829 /nfs/dbraw/zinc/72/78/29/961727829.db2.gz NRPGMBPYOJKOEA-UVFQYZLESA-N 1 2 369.465 2.746 20 30 FFEDLO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3nc(Br)cs3)C2)C1=O ZINC001276014285 1013285895 /nfs/dbraw/zinc/28/58/95/1013285895.db2.gz HIMSZMKSWRVZFE-HNNXBMFYSA-N 1 2 370.316 2.906 20 30 FFEDLO C=C(C)CN1CC[C@]2(CC[N@@H+](Cc3nc(Br)cs3)C2)C1=O ZINC001276014285 1013285903 /nfs/dbraw/zinc/28/59/03/1013285903.db2.gz HIMSZMKSWRVZFE-HNNXBMFYSA-N 1 2 370.316 2.906 20 30 FFEDLO C=CCN1CC[C@]2(CC[N@@H+](Cc3nc(Br)cs3)C2)C1=O ZINC001276014961 1013288114 /nfs/dbraw/zinc/28/81/14/1013288114.db2.gz YHUNSFVIPHIEKB-AWEZNQCLSA-N 1 2 356.289 2.516 20 30 FFEDLO C=CCN1CC[C@]2(CC[N@H+](Cc3nc(Br)cs3)C2)C1=O ZINC001276014961 1013288120 /nfs/dbraw/zinc/28/81/20/1013288120.db2.gz YHUNSFVIPHIEKB-AWEZNQCLSA-N 1 2 356.289 2.516 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000653150408 962270781 /nfs/dbraw/zinc/27/07/81/962270781.db2.gz XMLSHYAZLDPJMU-MOPGFXCFSA-N 1 2 373.497 2.564 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(F)ccc(F)c1F ZINC001276059968 1013378510 /nfs/dbraw/zinc/37/85/10/1013378510.db2.gz PLVKSSUKVXAYIS-HZPDHXFCSA-N 1 2 351.372 2.973 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(F)ccc(F)c1F ZINC001276059968 1013378520 /nfs/dbraw/zinc/37/85/20/1013378520.db2.gz PLVKSSUKVXAYIS-HZPDHXFCSA-N 1 2 351.372 2.973 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001059092817 964033540 /nfs/dbraw/zinc/03/35/40/964033540.db2.gz GLUIRIUJGBILCN-IEZWGBDMSA-N 1 2 370.497 2.658 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3CO)CC2)cc1F ZINC000891562244 964495907 /nfs/dbraw/zinc/49/59/07/964495907.db2.gz QTRKOBWOMMMITF-UHFFFAOYSA-N 1 2 355.413 2.520 20 30 FFEDLO CC(C)(C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC001143404846 964819312 /nfs/dbraw/zinc/81/93/12/964819312.db2.gz NXTNZZHCRUKZAO-AWEZNQCLSA-N 1 2 350.260 2.689 20 30 FFEDLO CC(C)(C#N)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC001143404846 964819323 /nfs/dbraw/zinc/81/93/23/964819323.db2.gz NXTNZZHCRUKZAO-AWEZNQCLSA-N 1 2 350.260 2.689 20 30 FFEDLO O=C1NCC[C@@H]2CCC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)[C@@H]12 ZINC001175661290 1013531155 /nfs/dbraw/zinc/53/11/55/1013531155.db2.gz LTEJKNNHMHNWKM-GOEBONIOSA-N 1 2 352.356 2.537 20 30 FFEDLO O=C1NCC[C@@H]2CCC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)[C@@H]12 ZINC001175661290 1013531159 /nfs/dbraw/zinc/53/11/59/1013531159.db2.gz LTEJKNNHMHNWKM-GOEBONIOSA-N 1 2 352.356 2.537 20 30 FFEDLO O=C1NCC[C@@H]2CCC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)[C@H]12 ZINC001175661291 1013530561 /nfs/dbraw/zinc/53/05/61/1013530561.db2.gz LTEJKNNHMHNWKM-HOCLYGCPSA-N 1 2 352.356 2.537 20 30 FFEDLO O=C1NCC[C@@H]2CCC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)[C@H]12 ZINC001175661291 1013530568 /nfs/dbraw/zinc/53/05/68/1013530568.db2.gz LTEJKNNHMHNWKM-HOCLYGCPSA-N 1 2 352.356 2.537 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1ccc(F)c(F)c1 ZINC000664702725 964996219 /nfs/dbraw/zinc/99/62/19/964996219.db2.gz YUFRAMSRMNXEEK-LBTNJELSSA-N 1 2 367.440 2.990 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1ccc(F)c(F)c1 ZINC000664702725 964996224 /nfs/dbraw/zinc/99/62/24/964996224.db2.gz YUFRAMSRMNXEEK-LBTNJELSSA-N 1 2 367.440 2.990 20 30 FFEDLO C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001087467623 965119315 /nfs/dbraw/zinc/11/93/15/965119315.db2.gz GVZWMUZAGNLBNK-RTBURBONSA-N 1 2 356.445 2.642 20 30 FFEDLO C=C(C)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001087467623 965119321 /nfs/dbraw/zinc/11/93/21/965119321.db2.gz GVZWMUZAGNLBNK-RTBURBONSA-N 1 2 356.445 2.642 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCF)CC[C@@H]1c1ccc(F)cc1 ZINC001087468327 965211217 /nfs/dbraw/zinc/21/12/17/965211217.db2.gz SPJYZHHMWSZGPE-MKXGPGLRSA-N 1 2 364.436 2.660 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCF)CC[C@@H]1c1ccc(F)cc1 ZINC001087468327 965211227 /nfs/dbraw/zinc/21/12/27/965211227.db2.gz SPJYZHHMWSZGPE-MKXGPGLRSA-N 1 2 364.436 2.660 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(CCC)on2)C1 ZINC001087468965 965282768 /nfs/dbraw/zinc/28/27/68/965282768.db2.gz BDNCRBZJWRLHBH-UYAOXDASSA-N 1 2 369.440 2.987 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(CCC)on2)C1 ZINC001087468965 965282774 /nfs/dbraw/zinc/28/27/74/965282774.db2.gz BDNCRBZJWRLHBH-UYAOXDASSA-N 1 2 369.440 2.987 20 30 FFEDLO COc1cc(C)cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1O ZINC000894460397 965391144 /nfs/dbraw/zinc/39/11/44/965391144.db2.gz NBAHUVAGOPIIKZ-HUUCEWRRSA-N 1 2 361.442 2.558 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nccn2C)C1 ZINC001112149734 965957052 /nfs/dbraw/zinc/95/70/52/965957052.db2.gz PXNDBLMDNNAICZ-BFHYXJOUSA-N 1 2 358.408 2.501 20 30 FFEDLO COc1cc[nH+]cc1Nc1ncc(C#N)cc1I ZINC001176118211 1013635226 /nfs/dbraw/zinc/63/52/26/1013635226.db2.gz HAQBPMMEQYVEQG-UHFFFAOYSA-N 1 2 352.135 2.705 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc4cccnc4c3)CC2)cc1 ZINC000873817482 1013647052 /nfs/dbraw/zinc/64/70/52/1013647052.db2.gz XOILZWMNUOJLSU-UHFFFAOYSA-N 1 2 370.456 2.993 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)c2ccc(F)cc2F)CCC(=O)N1C1CC1 ZINC000329077396 966626885 /nfs/dbraw/zinc/62/68/85/966626885.db2.gz QCDICDIDRJDJFI-CRAIPNDOSA-N 1 2 374.391 2.898 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(Nc2cc[nH+]c(C)n2)CCCC1 ZINC001104435665 967151226 /nfs/dbraw/zinc/15/12/26/967151226.db2.gz XNWRKYNZGSUMCC-WMZOPIPTSA-N 1 2 358.486 2.997 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3C[C@H]3Cc3ccccc3)C2)C1 ZINC000972479051 967248119 /nfs/dbraw/zinc/24/81/19/967248119.db2.gz PQDJUASVMIBHHI-FUPPJEDESA-N 1 2 366.505 2.582 20 30 FFEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3C[C@H]3Cc3ccccc3)C2)C1 ZINC000972479051 967248127 /nfs/dbraw/zinc/24/81/27/967248127.db2.gz PQDJUASVMIBHHI-FUPPJEDESA-N 1 2 366.505 2.582 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)c2nnc(C)[nH]2)C1 ZINC001112156963 967426920 /nfs/dbraw/zinc/42/69/20/967426920.db2.gz KEIZJPXDBYPJFN-CYZMBNFOSA-N 1 2 359.396 2.509 20 30 FFEDLO Cc1noc([C@H](C)[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2ccccc2)n1 ZINC001211596760 967686640 /nfs/dbraw/zinc/68/66/40/967686640.db2.gz ONQDIUWDHWKSHP-ZYSHUDEJSA-N 1 2 366.465 2.683 20 30 FFEDLO CCCCCCCCCCC(=O)N1C[C@@H](C(N)=O)[C@H](c2cn(C)c[nH+]2)C1 ZINC001271019623 967965823 /nfs/dbraw/zinc/96/58/23/967965823.db2.gz MAEKUFFISJSJJS-IAGOWNOFSA-N 1 2 362.518 2.978 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ncccc2O)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001087552704 968088298 /nfs/dbraw/zinc/08/82/98/968088298.db2.gz UFFAXVYKCUHOOG-DLBZAZTESA-N 1 2 368.412 2.581 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ncccc2O)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001087552704 968088306 /nfs/dbraw/zinc/08/83/06/968088306.db2.gz UFFAXVYKCUHOOG-DLBZAZTESA-N 1 2 368.412 2.581 20 30 FFEDLO O=C([C@@H]1CCO[C@H]1C1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029401070 968165432 /nfs/dbraw/zinc/16/54/32/968165432.db2.gz BXZFIKLXMHPLJG-MBDNFAEBSA-N 1 2 364.489 2.528 20 30 FFEDLO O=C([C@@H]1CCO[C@H]1C1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029401070 968165441 /nfs/dbraw/zinc/16/54/41/968165441.db2.gz BXZFIKLXMHPLJG-MBDNFAEBSA-N 1 2 364.489 2.528 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn(CC(F)(F)F)n2)[C@H]1CC ZINC001087613871 968366790 /nfs/dbraw/zinc/36/67/90/968366790.db2.gz NMQPLJNRGMCJRY-WCQYABFASA-N 1 2 364.799 2.781 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn(CC(F)(F)F)n2)[C@H]1CC ZINC001087613871 968366796 /nfs/dbraw/zinc/36/67/96/968366796.db2.gz NMQPLJNRGMCJRY-WCQYABFASA-N 1 2 364.799 2.781 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC2(F)F)[C@H]1CC ZINC001087618885 968384369 /nfs/dbraw/zinc/38/43/69/968384369.db2.gz OGFWENXRLVBASL-SDDRHHMPSA-N 1 2 351.235 2.909 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC2(F)F)[C@H]1CC ZINC001087618885 968384376 /nfs/dbraw/zinc/38/43/76/968384376.db2.gz OGFWENXRLVBASL-SDDRHHMPSA-N 1 2 351.235 2.909 20 30 FFEDLO COC(=O)c1scc(C#N)c1NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176958334 1013812304 /nfs/dbraw/zinc/81/23/04/1013812304.db2.gz UINCDGHBSXXCLK-LBPRGKRZSA-N 1 2 370.434 2.656 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cn(CC4CC4)nn3)[C@@H]2CC)C1 ZINC001087714856 968704648 /nfs/dbraw/zinc/70/46/48/968704648.db2.gz IKEZGHBEKWZADL-ZWKOTPCHSA-N 1 2 357.502 2.514 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3cn(CC4CC4)nn3)[C@@H]2CC)C1 ZINC001087714856 968704655 /nfs/dbraw/zinc/70/46/55/968704655.db2.gz IKEZGHBEKWZADL-ZWKOTPCHSA-N 1 2 357.502 2.514 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nc(CC4CC4)no3)[C@@H]2CC)C1 ZINC001087718646 968718289 /nfs/dbraw/zinc/71/82/89/968718289.db2.gz ZWJVCDSFCITUJC-JKSUJKDBSA-N 1 2 358.486 2.848 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nc(CC4CC4)no3)[C@@H]2CC)C1 ZINC001087718646 968718297 /nfs/dbraw/zinc/71/82/97/968718297.db2.gz ZWJVCDSFCITUJC-JKSUJKDBSA-N 1 2 358.486 2.848 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)[C@@H]2C[C@H]2CC)c1 ZINC001024666606 969241783 /nfs/dbraw/zinc/24/17/83/969241783.db2.gz RDVUSKJASHEDQM-YZGWKJHDSA-N 1 2 367.493 2.623 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)[C@@H]2C[C@H]2CC)c1 ZINC001024666606 969241791 /nfs/dbraw/zinc/24/17/91/969241791.db2.gz RDVUSKJASHEDQM-YZGWKJHDSA-N 1 2 367.493 2.623 20 30 FFEDLO O=[N+]([O-])c1ccc(O)c(/C=N\CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000255873227 969284109 /nfs/dbraw/zinc/28/41/09/969284109.db2.gz XOTADVZVUHDEOW-QNGOZBTKSA-N 1 2 368.437 2.537 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2noc(C3CC3)n2)C1 ZINC001104554297 969623207 /nfs/dbraw/zinc/62/32/07/969623207.db2.gz QZSYNQGUNDRIGS-NVXWUHKLSA-N 1 2 358.486 2.715 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(F)(F)C(F)F)C1 ZINC001104699977 970127800 /nfs/dbraw/zinc/12/78/00/970127800.db2.gz SNPCSNYBQZBUDP-SYQHCUMBSA-N 1 2 366.399 2.552 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](CCC)Cc1ncc(C(C)(C)C)o1 ZINC001481146717 970265678 /nfs/dbraw/zinc/26/56/78/970265678.db2.gz IBUJLPXSUKKRJE-CVEARBPZSA-N 1 2 363.502 2.891 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](CCC)Cc1ncc(C(C)(C)C)o1 ZINC001481146717 970265687 /nfs/dbraw/zinc/26/56/87/970265687.db2.gz IBUJLPXSUKKRJE-CVEARBPZSA-N 1 2 363.502 2.891 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001481172968 970306358 /nfs/dbraw/zinc/30/63/58/970306358.db2.gz PSYVGUBBNQKBIA-BEFAXECRSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001481172968 970306363 /nfs/dbraw/zinc/30/63/63/970306363.db2.gz PSYVGUBBNQKBIA-BEFAXECRSA-N 1 2 359.445 2.593 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2ccn(-c3ccc(F)cc3)n2)cc1OC ZINC000174112384 970380543 /nfs/dbraw/zinc/38/05/43/970380543.db2.gz QAHJNPOJBBHRNF-UHFFFAOYSA-N 1 2 370.384 2.866 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4nc(C5CC5)no4)CC[C@@H]3C2)CC1 ZINC001088093481 972731391 /nfs/dbraw/zinc/73/13/91/972731391.db2.gz YCIGXSOXIQCAMD-MSOLQXFVSA-N 1 2 370.497 2.974 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4nc(C5CC5)no4)CC[C@@H]3C2)CC1 ZINC001088093481 972731400 /nfs/dbraw/zinc/73/14/00/972731400.db2.gz YCIGXSOXIQCAMD-MSOLQXFVSA-N 1 2 370.497 2.974 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](Cc4nc(C5CC5)no4)CC[C@@H]3C2)C1 ZINC001088098236 972772731 /nfs/dbraw/zinc/77/27/31/972772731.db2.gz ABNZWDGLHNMGQI-CVEARBPZSA-N 1 2 356.470 2.584 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](Cc4nc(C5CC5)no4)CC[C@@H]3C2)C1 ZINC001088098236 972772739 /nfs/dbraw/zinc/77/27/39/972772739.db2.gz ABNZWDGLHNMGQI-CVEARBPZSA-N 1 2 356.470 2.584 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc(C)oc1C ZINC000960928145 1014109363 /nfs/dbraw/zinc/10/93/63/1014109363.db2.gz ORQPYXZJTYOLDQ-AOIWGVFYSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc(C)oc1C ZINC000960928145 1014109368 /nfs/dbraw/zinc/10/93/68/1014109368.db2.gz ORQPYXZJTYOLDQ-AOIWGVFYSA-N 1 2 361.486 2.695 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000961280710 1014151668 /nfs/dbraw/zinc/15/16/68/1014151668.db2.gz LIEQWRYDSYTGOC-DSJBJITLSA-N 1 2 353.441 2.680 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000961280710 1014151674 /nfs/dbraw/zinc/15/16/74/1014151674.db2.gz LIEQWRYDSYTGOC-DSJBJITLSA-N 1 2 353.441 2.680 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(NC(=O)CC)c3)[C@@H]2C1 ZINC001075857001 974203170 /nfs/dbraw/zinc/20/31/70/974203170.db2.gz VFYIJNYQZQXYAT-DOTOQJQBSA-N 1 2 361.873 2.934 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(NC(=O)CC)c3)[C@@H]2C1 ZINC001075857001 974203177 /nfs/dbraw/zinc/20/31/77/974203177.db2.gz VFYIJNYQZQXYAT-DOTOQJQBSA-N 1 2 361.873 2.934 20 30 FFEDLO Cc1ccoc1CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001088843516 974209853 /nfs/dbraw/zinc/20/98/53/974209853.db2.gz HDNGQMNEVQFBGX-KDOFPFPSSA-N 1 2 355.413 2.921 20 30 FFEDLO Cc1ccoc1CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001088843516 974209860 /nfs/dbraw/zinc/20/98/60/974209860.db2.gz HDNGQMNEVQFBGX-KDOFPFPSSA-N 1 2 355.413 2.921 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC001027608669 975019043 /nfs/dbraw/zinc/01/90/43/975019043.db2.gz TZJASHPMGLRVTB-LNLFQRSKSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC001027608669 975019046 /nfs/dbraw/zinc/01/90/46/975019046.db2.gz TZJASHPMGLRVTB-LNLFQRSKSA-N 1 2 361.486 2.777 20 30 FFEDLO N#Cc1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(F)cc1F ZINC000876347755 1014234817 /nfs/dbraw/zinc/23/48/17/1014234817.db2.gz UKGSVGONNGWJBI-GOSISDBHSA-N 1 2 357.360 2.676 20 30 FFEDLO N#Cc1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(F)cc1F ZINC000876347755 1014234822 /nfs/dbraw/zinc/23/48/22/1014234822.db2.gz UKGSVGONNGWJBI-GOSISDBHSA-N 1 2 357.360 2.676 20 30 FFEDLO Cc1ncsc1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001075578148 975324228 /nfs/dbraw/zinc/32/42/28/975324228.db2.gz KYSANLLOKWTESK-WMLDXEAASA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1ncsc1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001075578148 975324230 /nfs/dbraw/zinc/32/42/30/975324230.db2.gz KYSANLLOKWTESK-WMLDXEAASA-N 1 2 370.453 2.809 20 30 FFEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC001481468868 975366594 /nfs/dbraw/zinc/36/65/94/975366594.db2.gz GKXUFCFTOKKLKI-CVEARBPZSA-N 1 2 361.452 2.617 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3noc4c3CCCC4)[C@@H]2C)cc1 ZINC001088787592 976227230 /nfs/dbraw/zinc/22/72/30/976227230.db2.gz SJRZUEJERLUDHB-BEFAXECRSA-N 1 2 363.461 2.928 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3noc4c3CCCC4)[C@@H]2C)cc1 ZINC001088787592 976227240 /nfs/dbraw/zinc/22/72/40/976227240.db2.gz SJRZUEJERLUDHB-BEFAXECRSA-N 1 2 363.461 2.928 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cn3c(C)csc3n2)[C@H]1C ZINC001088791015 976288903 /nfs/dbraw/zinc/28/89/03/976288903.db2.gz JXYRKDSUNKYPKU-OCCSQVGLSA-N 1 2 352.891 2.578 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cn3c(C)csc3n2)[C@H]1C ZINC001088791015 976288910 /nfs/dbraw/zinc/28/89/10/976288910.db2.gz JXYRKDSUNKYPKU-OCCSQVGLSA-N 1 2 352.891 2.578 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001028038689 976296781 /nfs/dbraw/zinc/29/67/81/976296781.db2.gz AGODRUROGRWPLP-ZCNNSNEGSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001028038689 976296792 /nfs/dbraw/zinc/29/67/92/976296792.db2.gz AGODRUROGRWPLP-ZCNNSNEGSA-N 1 2 371.456 2.593 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2nc3ccccc3o2)CC1 ZINC000981189684 976327843 /nfs/dbraw/zinc/32/78/43/976327843.db2.gz BTEZRXRENRNOEY-AEFFLSMTSA-N 1 2 369.465 2.843 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2nc3ccccc3o2)CC1 ZINC000981189684 976327853 /nfs/dbraw/zinc/32/78/53/976327853.db2.gz BTEZRXRENRNOEY-AEFFLSMTSA-N 1 2 369.465 2.843 20 30 FFEDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842146788 976576630 /nfs/dbraw/zinc/57/66/30/976576630.db2.gz APUUFZUKOSWTRC-QGZVFWFLSA-N 1 2 373.840 2.824 20 30 FFEDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842146788 976576636 /nfs/dbraw/zinc/57/66/36/976576636.db2.gz APUUFZUKOSWTRC-QGZVFWFLSA-N 1 2 373.840 2.824 20 30 FFEDLO CC(C)(CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)n1cc[nH+]c1 ZINC000898906126 976763388 /nfs/dbraw/zinc/76/33/88/976763388.db2.gz BFTWRDMSCOPGAC-UHFFFAOYSA-N 1 2 362.437 2.825 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ncc(CC)o1 ZINC001028188790 977064539 /nfs/dbraw/zinc/06/45/39/977064539.db2.gz IXBXQTLMFKJPTO-IEZWGBDMSA-N 1 2 361.486 2.689 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncc(CC)o1 ZINC001028188790 977064545 /nfs/dbraw/zinc/06/45/45/977064545.db2.gz IXBXQTLMFKJPTO-IEZWGBDMSA-N 1 2 361.486 2.689 20 30 FFEDLO O=C(c1cscn1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075612491 977195501 /nfs/dbraw/zinc/19/55/01/977195501.db2.gz OPVJKZREFIOXJX-MAUKXSAKSA-N 1 2 371.893 2.995 20 30 FFEDLO O=C(c1cscn1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075612491 977195507 /nfs/dbraw/zinc/19/55/07/977195507.db2.gz OPVJKZREFIOXJX-MAUKXSAKSA-N 1 2 371.893 2.995 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000982099700 977236136 /nfs/dbraw/zinc/23/61/36/977236136.db2.gz RYUMNDSSWWVXRE-ARFHVFGLSA-N 1 2 370.497 2.587 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000982174276 977323394 /nfs/dbraw/zinc/32/33/94/977323394.db2.gz ZBBLXFWIEGMIII-SFTDATJTSA-N 1 2 370.468 2.693 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000982174276 977323402 /nfs/dbraw/zinc/32/34/02/977323402.db2.gz ZBBLXFWIEGMIII-SFTDATJTSA-N 1 2 370.468 2.693 20 30 FFEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3cccc(Br)n3)CC2)nc1 ZINC001205976593 1032091773 /nfs/dbraw/zinc/09/17/73/1032091773.db2.gz WMIRXVOUYSGMSA-UHFFFAOYSA-N 1 2 372.270 2.823 20 30 FFEDLO N#Cc1ccc(N2CCC[N@H+](Cc3cccc(Br)n3)CC2)nc1 ZINC001205976593 1032091791 /nfs/dbraw/zinc/09/17/91/1032091791.db2.gz WMIRXVOUYSGMSA-UHFFFAOYSA-N 1 2 372.270 2.823 20 30 FFEDLO C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001087462808 978130109 /nfs/dbraw/zinc/13/01/09/978130109.db2.gz AVPOEJKZTDPNDU-RTBURBONSA-N 1 2 368.456 2.777 20 30 FFEDLO C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001087462808 978130113 /nfs/dbraw/zinc/13/01/13/978130113.db2.gz AVPOEJKZTDPNDU-RTBURBONSA-N 1 2 368.456 2.777 20 30 FFEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001268739574 978382789 /nfs/dbraw/zinc/38/27/89/978382789.db2.gz NZACGSTYWQWCAS-NXHRZFHOSA-N 1 2 350.890 2.966 20 30 FFEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001268739574 978382795 /nfs/dbraw/zinc/38/27/95/978382795.db2.gz NZACGSTYWQWCAS-NXHRZFHOSA-N 1 2 350.890 2.966 20 30 FFEDLO C=CCN(C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)[C@H](C)COC ZINC000664252185 978440200 /nfs/dbraw/zinc/44/02/00/978440200.db2.gz IYZISQVCISAIBV-AEFFLSMTSA-N 1 2 356.470 2.936 20 30 FFEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cccc5n[nH]cc54)[C@@H]3C2)c1 ZINC001076116462 979134463 /nfs/dbraw/zinc/13/44/63/979134463.db2.gz YPBWSDGYAZVHRG-LAUBAEHRSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cccc5n[nH]cc54)[C@@H]3C2)c1 ZINC001076116462 979134464 /nfs/dbraw/zinc/13/44/64/979134464.db2.gz YPBWSDGYAZVHRG-LAUBAEHRSA-N 1 2 371.444 2.781 20 30 FFEDLO CCc1ncoc1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001076220765 979240220 /nfs/dbraw/zinc/24/02/20/979240220.db2.gz QJALXOQREHZAAM-MAUKXSAKSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1ncoc1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001076220765 979240224 /nfs/dbraw/zinc/24/02/24/979240224.db2.gz QJALXOQREHZAAM-MAUKXSAKSA-N 1 2 368.412 2.594 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3occc3C)[C@@H]2C1 ZINC001076220660 979240857 /nfs/dbraw/zinc/24/08/57/979240857.db2.gz MIBCHTUMVHXGMS-UONOGXRCSA-N 1 2 353.260 2.572 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3occc3C)[C@@H]2C1 ZINC001076220660 979240866 /nfs/dbraw/zinc/24/08/66/979240866.db2.gz MIBCHTUMVHXGMS-UONOGXRCSA-N 1 2 353.260 2.572 20 30 FFEDLO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(F)ccc4F)C[C@H]32)c1 ZINC001076222982 979243843 /nfs/dbraw/zinc/24/38/43/979243843.db2.gz BSYAQQXYKHUZEA-MGPUTAFESA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(F)ccc4F)C[C@H]32)c1 ZINC001076222982 979243852 /nfs/dbraw/zinc/24/38/52/979243852.db2.gz BSYAQQXYKHUZEA-MGPUTAFESA-N 1 2 367.399 2.688 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-c4ncon4)c3)[C@@H]2C1 ZINC001076234783 979265757 /nfs/dbraw/zinc/26/57/57/979265757.db2.gz QEEVSNBQVSLTCQ-JKSUJKDBSA-N 1 2 358.829 2.635 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(-c4ncon4)c3)[C@@H]2C1 ZINC001076234783 979265763 /nfs/dbraw/zinc/26/57/63/979265763.db2.gz QEEVSNBQVSLTCQ-JKSUJKDBSA-N 1 2 358.829 2.635 20 30 FFEDLO C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4cscn4)C[C@H]32)cc1 ZINC001076336243 979386343 /nfs/dbraw/zinc/38/63/43/979386343.db2.gz POBIGWGMNNBJCS-QFBILLFUSA-N 1 2 367.474 2.502 20 30 FFEDLO C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cscn4)C[C@H]32)cc1 ZINC001076336243 979386347 /nfs/dbraw/zinc/38/63/47/979386347.db2.gz POBIGWGMNNBJCS-QFBILLFUSA-N 1 2 367.474 2.502 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccoc3Br)[C@@H]2C1 ZINC001076432874 979494039 /nfs/dbraw/zinc/49/40/39/979494039.db2.gz GNKGGKZDQJZROA-CMPLNLGQSA-N 1 2 359.651 2.941 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccoc3Br)[C@@H]2C1 ZINC001076432874 979494058 /nfs/dbraw/zinc/49/40/58/979494058.db2.gz GNKGGKZDQJZROA-CMPLNLGQSA-N 1 2 359.651 2.941 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(F)ccc4F)C[C@H]32)nc1 ZINC001076475827 979557055 /nfs/dbraw/zinc/55/70/55/979557055.db2.gz HRXOMRDSZYCUMP-MGPUTAFESA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(F)ccc4F)C[C@H]32)nc1 ZINC001076475827 979557062 /nfs/dbraw/zinc/55/70/62/979557062.db2.gz HRXOMRDSZYCUMP-MGPUTAFESA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ncc(C(C)C)o4)C[C@H]32)cn1 ZINC001076477035 979557752 /nfs/dbraw/zinc/55/77/52/979557752.db2.gz MXBQYHBLGSVHGU-FUHWJXTLSA-N 1 2 364.449 2.521 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ncc(C(C)C)o4)C[C@H]32)cn1 ZINC001076477035 979557758 /nfs/dbraw/zinc/55/77/58/979557758.db2.gz MXBQYHBLGSVHGU-FUHWJXTLSA-N 1 2 364.449 2.521 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(OC)c(OCC)c3)[C@@H]2C1 ZINC001076548851 979648880 /nfs/dbraw/zinc/64/88/80/979648880.db2.gz KSLOJWORPKOQMY-JKSUJKDBSA-N 1 2 364.873 2.993 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(OC)c(OCC)c3)[C@@H]2C1 ZINC001076548851 979648887 /nfs/dbraw/zinc/64/88/87/979648887.db2.gz KSLOJWORPKOQMY-JKSUJKDBSA-N 1 2 364.873 2.993 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(OCC)c(OC)c3)[C@@H]2C1 ZINC001076558491 979655960 /nfs/dbraw/zinc/65/59/60/979655960.db2.gz XFGGCUNBGXVDSU-JKSUJKDBSA-N 1 2 364.873 2.993 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(OCC)c(OC)c3)[C@@H]2C1 ZINC001076558491 979655963 /nfs/dbraw/zinc/65/59/63/979655963.db2.gz XFGGCUNBGXVDSU-JKSUJKDBSA-N 1 2 364.873 2.993 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088515783 980394018 /nfs/dbraw/zinc/39/40/18/980394018.db2.gz JYILNZQGIWWSNA-KDOFPFPSSA-N 1 2 369.852 2.685 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088515783 980394024 /nfs/dbraw/zinc/39/40/24/980394024.db2.gz JYILNZQGIWWSNA-KDOFPFPSSA-N 1 2 369.852 2.685 20 30 FFEDLO Cc1nscc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088532112 980455950 /nfs/dbraw/zinc/45/59/50/980455950.db2.gz ANQTULDMEFZMKB-KDOFPFPSSA-N 1 2 357.454 2.835 20 30 FFEDLO Cc1nscc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088532112 980455951 /nfs/dbraw/zinc/45/59/51/980455951.db2.gz ANQTULDMEFZMKB-KDOFPFPSSA-N 1 2 357.454 2.835 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1ccn(C2CCCC2)n1 ZINC001088533484 980466339 /nfs/dbraw/zinc/46/63/39/980466339.db2.gz UCUKABAWCAHVED-KUHUBIRLSA-N 1 2 366.469 2.591 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1ccn(C2CCCC2)n1 ZINC001088533484 980466342 /nfs/dbraw/zinc/46/63/42/980466342.db2.gz UCUKABAWCAHVED-KUHUBIRLSA-N 1 2 366.469 2.591 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3ncc(C)o3)C[C@H]21 ZINC001075885200 980476397 /nfs/dbraw/zinc/47/63/97/980476397.db2.gz KDENEEXEPBVJKM-SOLBZPMBSA-N 1 2 354.454 2.878 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3ncc(C)o3)C[C@H]21 ZINC001075885200 980476399 /nfs/dbraw/zinc/47/63/99/980476399.db2.gz KDENEEXEPBVJKM-SOLBZPMBSA-N 1 2 354.454 2.878 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+](Cc3nc(C)oc3C)C[C@H]21 ZINC001075885260 980477628 /nfs/dbraw/zinc/47/76/28/980477628.db2.gz OBEPHVHFAGQCIC-QFBILLFUSA-N 1 2 354.454 2.625 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+](Cc3nc(C)oc3C)C[C@H]21 ZINC001075885260 980477632 /nfs/dbraw/zinc/47/76/32/980477632.db2.gz OBEPHVHFAGQCIC-QFBILLFUSA-N 1 2 354.454 2.625 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(CC)o3)C[C@H]21 ZINC001075885471 980486327 /nfs/dbraw/zinc/48/63/27/980486327.db2.gz YFXXASITZTWWGA-MAUKXSAKSA-N 1 2 354.454 2.571 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(CC)o3)C[C@H]21 ZINC001075885471 980486329 /nfs/dbraw/zinc/48/63/29/980486329.db2.gz YFXXASITZTWWGA-MAUKXSAKSA-N 1 2 354.454 2.571 20 30 FFEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CC3(CC(=O)N3Cc3ccccc3)C2)cc1 ZINC000877717467 1014697535 /nfs/dbraw/zinc/69/75/35/1014697535.db2.gz FGIGQDFNYPMJQT-QGZVFWFLSA-N 1 2 361.445 2.964 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@@H](CN(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000988302433 981056649 /nfs/dbraw/zinc/05/66/49/981056649.db2.gz RJRAGXFSGIOIOA-CGTJXYLNSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@@H](CN(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000988302433 981056652 /nfs/dbraw/zinc/05/66/52/981056652.db2.gz RJRAGXFSGIOIOA-CGTJXYLNSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2csc([C@@H]3CCCO3)n2)[C@H]1C ZINC001088566377 981142250 /nfs/dbraw/zinc/14/22/50/981142250.db2.gz LRXXOGWRBFLRBH-DYEKYZERSA-N 1 2 355.891 2.940 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2csc([C@@H]3CCCO3)n2)[C@H]1C ZINC001088566377 981142253 /nfs/dbraw/zinc/14/22/53/981142253.db2.gz LRXXOGWRBFLRBH-DYEKYZERSA-N 1 2 355.891 2.940 20 30 FFEDLO CC/C=C(\C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001211964090 981270564 /nfs/dbraw/zinc/27/05/64/981270564.db2.gz BKDXEVFDYZQAPW-HMGXEHOESA-N 1 2 360.885 2.863 20 30 FFEDLO CC/C=C(\C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001211964090 981270566 /nfs/dbraw/zinc/27/05/66/981270566.db2.gz BKDXEVFDYZQAPW-HMGXEHOESA-N 1 2 360.885 2.863 20 30 FFEDLO Cc1cc(Cl)cc(C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c1 ZINC001272083058 981301917 /nfs/dbraw/zinc/30/19/17/981301917.db2.gz GNRINRYXRAAWJV-UHFFFAOYSA-N 1 2 368.868 2.817 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](Cc2nocc2C)[C@@H]1C ZINC001088672336 982266733 /nfs/dbraw/zinc/26/67/33/982266733.db2.gz VVBRVDVLYOIBJR-WBVHZDCISA-N 1 2 355.438 2.941 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](Cc2nocc2C)[C@@H]1C ZINC001088672336 982266738 /nfs/dbraw/zinc/26/67/38/982266738.db2.gz VVBRVDVLYOIBJR-WBVHZDCISA-N 1 2 355.438 2.941 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C)CC1 ZINC000989731678 982819515 /nfs/dbraw/zinc/81/95/15/982819515.db2.gz OEQZWKHMKNREQO-PVAVHDDUSA-N 1 2 370.497 2.682 20 30 FFEDLO C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(C(F)F)no1)CC2 ZINC001107384673 984495083 /nfs/dbraw/zinc/49/50/83/984495083.db2.gz PNBHQDKYDREOJX-FZKQIMNGSA-N 1 2 366.412 2.672 20 30 FFEDLO C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nc(C(F)F)no1)CC2 ZINC001107384673 984495085 /nfs/dbraw/zinc/49/50/85/984495085.db2.gz PNBHQDKYDREOJX-FZKQIMNGSA-N 1 2 366.412 2.672 20 30 FFEDLO C#CCC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2nncs2)CC3)CCC1 ZINC001107434258 984535782 /nfs/dbraw/zinc/53/57/82/984535782.db2.gz PIBWKBPUTBIWFL-DNVCBOLYSA-N 1 2 358.511 2.593 20 30 FFEDLO C#CCC1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](Cc2nncs2)CC3)CCC1 ZINC001107434258 984535785 /nfs/dbraw/zinc/53/57/85/984535785.db2.gz PIBWKBPUTBIWFL-DNVCBOLYSA-N 1 2 358.511 2.593 20 30 FFEDLO CC#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncnn1CCC)CC2 ZINC001107513073 984617266 /nfs/dbraw/zinc/61/72/66/984617266.db2.gz PTNQAUFYHPUPPP-WIYYLYMNSA-N 1 2 371.529 2.743 20 30 FFEDLO CC#CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncnn1CCC)CC2 ZINC001107513073 984617270 /nfs/dbraw/zinc/61/72/70/984617270.db2.gz PTNQAUFYHPUPPP-WIYYLYMNSA-N 1 2 371.529 2.743 20 30 FFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878490502 1015067567 /nfs/dbraw/zinc/06/75/67/1015067567.db2.gz MLLHKTGOLPCTTI-KRQVXIAISA-N 1 2 354.450 2.701 20 30 FFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878490502 1015067574 /nfs/dbraw/zinc/06/75/74/1015067574.db2.gz MLLHKTGOLPCTTI-KRQVXIAISA-N 1 2 354.450 2.701 20 30 FFEDLO CC(C)[C@@H](NC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000158154427 984789289 /nfs/dbraw/zinc/78/92/89/984789289.db2.gz XELWXFPORCNRLO-HXUWFJFHSA-N 1 2 367.449 2.772 20 30 FFEDLO CC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001212185494 985004846 /nfs/dbraw/zinc/00/48/46/985004846.db2.gz VDRYFERHSGVLJE-ATZDWAIDSA-N 1 2 362.901 2.943 20 30 FFEDLO CC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001212185494 985004859 /nfs/dbraw/zinc/00/48/59/985004859.db2.gz VDRYFERHSGVLJE-ATZDWAIDSA-N 1 2 362.901 2.943 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc3ccccc3o2)C[C@H]1OC ZINC001212187276 985131509 /nfs/dbraw/zinc/13/15/09/985131509.db2.gz NZWYDWBOPDBSLU-YXJHDRRASA-N 1 2 355.438 2.508 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc3ccccc3o2)C[C@H]1OC ZINC001212187276 985131514 /nfs/dbraw/zinc/13/15/14/985131514.db2.gz NZWYDWBOPDBSLU-YXJHDRRASA-N 1 2 355.438 2.508 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)cs3)[C@@H]2C)cc1 ZINC001088906513 985413482 /nfs/dbraw/zinc/41/34/82/985413482.db2.gz YVIIOEWQDRDKAE-QAPCUYQASA-N 1 2 369.490 2.856 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)cs3)[C@@H]2C)cc1 ZINC001088906513 985413488 /nfs/dbraw/zinc/41/34/88/985413488.db2.gz YVIIOEWQDRDKAE-QAPCUYQASA-N 1 2 369.490 2.856 20 30 FFEDLO CC[C@@H](C#N)Oc1cc(CNc2[nH+]cnc3c2cnn3C)ccc1OC ZINC000172069096 985453738 /nfs/dbraw/zinc/45/37/38/985453738.db2.gz DAKHVCPZUBWCGB-ZDUSSCGKSA-N 1 2 352.398 2.665 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnoc2C2CC2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088953277 985594687 /nfs/dbraw/zinc/59/46/87/985594687.db2.gz LEGCDDPDDSFSPU-XIKOKIGWSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnoc2C2CC2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088953277 985594698 /nfs/dbraw/zinc/59/46/98/985594698.db2.gz LEGCDDPDDSFSPU-XIKOKIGWSA-N 1 2 368.412 2.956 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)[C@@H]2C)nc1 ZINC001088988424 985781583 /nfs/dbraw/zinc/78/15/83/985781583.db2.gz VOIMHZLUGMRUTK-ACJLOTCBSA-N 1 2 355.388 2.734 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)[C@@H]2C)nc1 ZINC001088988424 985781592 /nfs/dbraw/zinc/78/15/92/985781592.db2.gz VOIMHZLUGMRUTK-ACJLOTCBSA-N 1 2 355.388 2.734 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088997693 985857127 /nfs/dbraw/zinc/85/71/27/985857127.db2.gz FDFUHSKQSDDXSW-YGRLFVJLSA-N 1 2 362.792 2.732 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088997693 985857143 /nfs/dbraw/zinc/85/71/43/985857143.db2.gz FDFUHSKQSDDXSW-YGRLFVJLSA-N 1 2 362.792 2.732 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2csc(C)n2)[C@@H]1C ZINC001089005239 985884794 /nfs/dbraw/zinc/88/47/94/985884794.db2.gz AZUQOMMGYCXWOJ-KUHUBIRLSA-N 1 2 353.491 2.755 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2csc(C)n2)[C@@H]1C ZINC001089005239 985884803 /nfs/dbraw/zinc/88/48/03/985884803.db2.gz AZUQOMMGYCXWOJ-KUHUBIRLSA-N 1 2 353.491 2.755 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001089018853 985948078 /nfs/dbraw/zinc/94/80/78/985948078.db2.gz FDTWPKFQTHGPFB-KDOFPFPSSA-N 1 2 369.852 2.685 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001089018853 985948088 /nfs/dbraw/zinc/94/80/88/985948088.db2.gz FDTWPKFQTHGPFB-KDOFPFPSSA-N 1 2 369.852 2.685 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3[nH+]ccn31)C2 ZINC000998319645 986060811 /nfs/dbraw/zinc/06/08/11/986060811.db2.gz GRJNVFJMKCRXJI-PMPSAXMXSA-N 1 2 366.465 2.798 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC001007360712 1015195139 /nfs/dbraw/zinc/19/51/39/1015195139.db2.gz TVKGPRWSLNRVRH-NUJGCVRESA-N 1 2 369.465 2.890 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC001007360712 1015195146 /nfs/dbraw/zinc/19/51/46/1015195146.db2.gz TVKGPRWSLNRVRH-NUJGCVRESA-N 1 2 369.465 2.890 20 30 FFEDLO N#C[C@H](Cc1cccs1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc[nH]1 ZINC001272450659 986746666 /nfs/dbraw/zinc/74/66/66/986746666.db2.gz VSEXDYNHARDGKK-BHYGNILZSA-N 1 2 354.479 2.634 20 30 FFEDLO N#C[C@H](Cc1cccs1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc[nH]1 ZINC001272450659 986746674 /nfs/dbraw/zinc/74/66/74/986746674.db2.gz VSEXDYNHARDGKK-BHYGNILZSA-N 1 2 354.479 2.634 20 30 FFEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccc(OCC=C)cc3)oc2=S)CC1 ZINC000151747963 986841750 /nfs/dbraw/zinc/84/17/50/986841750.db2.gz IRZKRUPNZDLCTE-UHFFFAOYSA-N 1 2 370.478 2.646 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001486765145 987403587 /nfs/dbraw/zinc/40/35/87/987403587.db2.gz GRRZCIFAMDQVMH-SXGZJXTBSA-N 1 2 360.502 2.716 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001486765145 987403591 /nfs/dbraw/zinc/40/35/91/987403591.db2.gz GRRZCIFAMDQVMH-SXGZJXTBSA-N 1 2 360.502 2.716 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC001031088498 987606336 /nfs/dbraw/zinc/60/63/36/987606336.db2.gz YTARXDAAOZYYBO-SXLOBPIMSA-N 1 2 358.457 2.985 20 30 FFEDLO C=C1CCC(C(=O)N2CCC[C@H]2CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001002949411 987640687 /nfs/dbraw/zinc/64/06/87/987640687.db2.gz WXTGIVCNCYVEBD-RCCFBDPRSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C1CCC(C(=O)N2CCC[C@H]2CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001002949411 987640692 /nfs/dbraw/zinc/64/06/92/987640692.db2.gz WXTGIVCNCYVEBD-RCCFBDPRSA-N 1 2 370.497 2.709 20 30 FFEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000915066174 988196008 /nfs/dbraw/zinc/19/60/08/988196008.db2.gz CBTAICUDSRPFJP-GOSISDBHSA-N 1 2 371.462 2.553 20 30 FFEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccccc2Oc2ccccc2)CC1 ZINC000032490040 988772195 /nfs/dbraw/zinc/77/21/95/988772195.db2.gz DVENMFMGCSOPNX-UHFFFAOYSA-N 1 2 365.477 2.899 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)c1 ZINC001007997341 1015450396 /nfs/dbraw/zinc/45/03/96/1015450396.db2.gz ASFGVFQDSYJFQV-NSHGMRRFSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)c1 ZINC001007997341 1015450401 /nfs/dbraw/zinc/45/04/01/1015450401.db2.gz ASFGVFQDSYJFQV-NSHGMRRFSA-N 1 2 371.456 2.593 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033496053 989625014 /nfs/dbraw/zinc/62/50/14/989625014.db2.gz FJVVQIKDSFTYTN-QYZOEREBSA-N 1 2 361.461 2.625 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033496053 989625021 /nfs/dbraw/zinc/62/50/21/989625021.db2.gz FJVVQIKDSFTYTN-QYZOEREBSA-N 1 2 361.461 2.625 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001033498220 989627448 /nfs/dbraw/zinc/62/74/48/989627448.db2.gz VGHWANVYLMIVPU-AOIWGVFYSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001033498220 989627451 /nfs/dbraw/zinc/62/74/51/989627451.db2.gz VGHWANVYLMIVPU-AOIWGVFYSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001033834302 989746514 /nfs/dbraw/zinc/74/65/14/989746514.db2.gz VYTSKNLDOAWUIS-KURKYZTESA-N 1 2 361.486 2.695 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001033834302 989746522 /nfs/dbraw/zinc/74/65/22/989746522.db2.gz VYTSKNLDOAWUIS-KURKYZTESA-N 1 2 361.486 2.695 20 30 FFEDLO Cc1nc(NCCCC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)ccc1C#N ZINC001090168569 989837589 /nfs/dbraw/zinc/83/75/89/989837589.db2.gz FYODNKHUEMSZPT-IAOVAPTHSA-N 1 2 366.469 2.875 20 30 FFEDLO Cc1nc(NCCCC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccc1C#N ZINC001090168569 989837594 /nfs/dbraw/zinc/83/75/94/989837594.db2.gz FYODNKHUEMSZPT-IAOVAPTHSA-N 1 2 366.469 2.875 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001034408420 990051577 /nfs/dbraw/zinc/05/15/77/990051577.db2.gz JWNUYWHHHLLJEU-UHOSZYNNSA-N 1 2 360.502 2.526 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001034408420 990051584 /nfs/dbraw/zinc/05/15/84/990051584.db2.gz JWNUYWHHHLLJEU-UHOSZYNNSA-N 1 2 360.502 2.526 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001034442013 990086380 /nfs/dbraw/zinc/08/63/80/990086380.db2.gz LHGIRAATQWYDQB-AOIWGVFYSA-N 1 2 361.486 2.743 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001034442013 990086386 /nfs/dbraw/zinc/08/63/86/990086386.db2.gz LHGIRAATQWYDQB-AOIWGVFYSA-N 1 2 361.486 2.743 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCc2nc(C3CCCC3)no2)cc1OC ZINC000154286439 990144823 /nfs/dbraw/zinc/14/48/23/990144823.db2.gz UTUXBNKPPKCMQH-UHFFFAOYSA-N 1 2 360.414 2.776 20 30 FFEDLO COc1ccc(C[NH+](CC(=O)NCCC#N)Cc2ccc(OC)cc2)cc1 ZINC000917179325 990164268 /nfs/dbraw/zinc/16/42/68/990164268.db2.gz IDYYDCYYOHGSKW-UHFFFAOYSA-N 1 2 367.449 2.736 20 30 FFEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001035570000 990501555 /nfs/dbraw/zinc/50/15/55/990501555.db2.gz LEBVTLYZFSDFNL-SOUVJXGZSA-N 1 2 368.399 2.601 20 30 FFEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001035570000 990501560 /nfs/dbraw/zinc/50/15/60/990501560.db2.gz LEBVTLYZFSDFNL-SOUVJXGZSA-N 1 2 368.399 2.601 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001062262610 990693234 /nfs/dbraw/zinc/69/32/34/990693234.db2.gz AFCXTOKRQVJMGQ-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001062262610 990693238 /nfs/dbraw/zinc/69/32/38/990693238.db2.gz AFCXTOKRQVJMGQ-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2sccc2Cl)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212254378 991048009 /nfs/dbraw/zinc/04/80/09/991048009.db2.gz VFJOWTMNZKCNLD-ZIAGYGMSSA-N 1 2 354.903 2.766 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2sccc2Cl)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212254378 991048011 /nfs/dbraw/zinc/04/80/11/991048011.db2.gz VFJOWTMNZKCNLD-ZIAGYGMSSA-N 1 2 354.903 2.766 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1OC ZINC001212337329 991725655 /nfs/dbraw/zinc/72/56/55/991725655.db2.gz IKMCYJGSIUJUSQ-HZPDHXFCSA-N 1 2 354.853 2.920 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1OC ZINC001212337329 991725665 /nfs/dbraw/zinc/72/56/65/991725665.db2.gz IKMCYJGSIUJUSQ-HZPDHXFCSA-N 1 2 354.853 2.920 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)Cc1cccs1 ZINC001079363259 992014833 /nfs/dbraw/zinc/01/48/33/992014833.db2.gz WIBPTARZRLCHPH-FZKQIMNGSA-N 1 2 357.454 2.938 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)Cc1cccs1 ZINC001079363259 992014844 /nfs/dbraw/zinc/01/48/44/992014844.db2.gz WIBPTARZRLCHPH-FZKQIMNGSA-N 1 2 357.454 2.938 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC3CCCC3)C2)c1 ZINC001079375614 992046999 /nfs/dbraw/zinc/04/69/99/992046999.db2.gz QHZALVUUTNMYMZ-OXQOHEQNSA-N 1 2 367.493 2.623 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC3CCCC3)C2)c1 ZINC001079375614 992047009 /nfs/dbraw/zinc/04/70/09/992047009.db2.gz QHZALVUUTNMYMZ-OXQOHEQNSA-N 1 2 367.493 2.623 20 30 FFEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001079600998 992250947 /nfs/dbraw/zinc/25/09/47/992250947.db2.gz CGKIGCJQMMGSFH-XJKCOSOUSA-N 1 2 369.469 2.983 20 30 FFEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001079600998 992250954 /nfs/dbraw/zinc/25/09/54/992250954.db2.gz CGKIGCJQMMGSFH-XJKCOSOUSA-N 1 2 369.469 2.983 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)Cc1ccoc1 ZINC001079614375 992263016 /nfs/dbraw/zinc/26/30/16/992263016.db2.gz QLOGPRJLYGHKHM-DNVCBOLYSA-N 1 2 356.853 2.964 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)Cc1ccoc1 ZINC001079614375 992263025 /nfs/dbraw/zinc/26/30/25/992263025.db2.gz QLOGPRJLYGHKHM-DNVCBOLYSA-N 1 2 356.853 2.964 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)ns1 ZINC001079628555 992274644 /nfs/dbraw/zinc/27/46/44/992274644.db2.gz HVPLBIRLZQHHNN-PIGZYNQJSA-N 1 2 358.442 2.713 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)ns1 ZINC001079628555 992274649 /nfs/dbraw/zinc/27/46/49/992274649.db2.gz HVPLBIRLZQHHNN-PIGZYNQJSA-N 1 2 358.442 2.713 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C(C)=C3CCC3)C2)c1 ZINC001079676648 992301195 /nfs/dbraw/zinc/30/11/95/992301195.db2.gz WPKGDMPRRADRHX-FOIQADDNSA-N 1 2 365.477 2.543 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C(C)=C3CCC3)C2)c1 ZINC001079676648 992301204 /nfs/dbraw/zinc/30/12/04/992301204.db2.gz WPKGDMPRRADRHX-FOIQADDNSA-N 1 2 365.477 2.543 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001079931900 992581966 /nfs/dbraw/zinc/58/19/66/992581966.db2.gz OAXIDOYHABTLBP-MEBBXXQBSA-N 1 2 363.259 2.522 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001079931900 992581971 /nfs/dbraw/zinc/58/19/71/992581971.db2.gz OAXIDOYHABTLBP-MEBBXXQBSA-N 1 2 363.259 2.522 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001080053525 992679437 /nfs/dbraw/zinc/67/94/37/992679437.db2.gz BJSOMNSMBZBIAO-BDJLRTHQSA-N 1 2 364.287 2.918 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001080053525 992679446 /nfs/dbraw/zinc/67/94/46/992679446.db2.gz BJSOMNSMBZBIAO-BDJLRTHQSA-N 1 2 364.287 2.918 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001080335361 992935257 /nfs/dbraw/zinc/93/52/57/992935257.db2.gz BXKWDZOTQWIMRA-HPEXNQPKSA-N 1 2 367.262 2.811 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001080335361 992935267 /nfs/dbraw/zinc/93/52/67/992935267.db2.gz BXKWDZOTQWIMRA-HPEXNQPKSA-N 1 2 367.262 2.811 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(C)c2CC)C1 ZINC001080444960 993063475 /nfs/dbraw/zinc/06/34/75/993063475.db2.gz ALSIBHNAUBKHIO-BXUZGUMPSA-N 1 2 354.292 2.546 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(C)c2CC)C1 ZINC001080444960 993063482 /nfs/dbraw/zinc/06/34/82/993063482.db2.gz ALSIBHNAUBKHIO-BXUZGUMPSA-N 1 2 354.292 2.546 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccc(C)s2)C1 ZINC001080992380 993542515 /nfs/dbraw/zinc/54/25/15/993542515.db2.gz HSHFWBLACFFVQY-QMTHXVAHSA-N 1 2 357.317 2.944 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccc(C)s2)C1 ZINC001080992380 993542521 /nfs/dbraw/zinc/54/25/21/993542521.db2.gz HSHFWBLACFFVQY-QMTHXVAHSA-N 1 2 357.317 2.944 20 30 FFEDLO C#CC[NH2+][C@@H]1CN(C(=O)c2c(Cl)[nH]nc2C2CC2)C[C@H]1c1ccccc1 ZINC001081125525 993685788 /nfs/dbraw/zinc/68/57/88/993685788.db2.gz FFMCXZPTLCEDLE-JKSUJKDBSA-N 1 2 368.868 2.772 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C=C1CCCCC1 ZINC001081418303 993826597 /nfs/dbraw/zinc/82/65/97/993826597.db2.gz OGTHGAOUQFPQFP-NHCUHLMSSA-N 1 2 352.478 2.744 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C=C1CCCCC1 ZINC001081418303 993826603 /nfs/dbraw/zinc/82/66/03/993826603.db2.gz OGTHGAOUQFPQFP-NHCUHLMSSA-N 1 2 352.478 2.744 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCCC2(CC2)C1 ZINC001081661880 993914055 /nfs/dbraw/zinc/91/40/55/993914055.db2.gz AWVKYBPHVJDHMM-PWRODBHTSA-N 1 2 366.505 2.824 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCCC2(CC2)C1 ZINC001081661880 993914067 /nfs/dbraw/zinc/91/40/67/993914067.db2.gz AWVKYBPHVJDHMM-PWRODBHTSA-N 1 2 366.505 2.824 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@]1(C)CC=CCC1 ZINC001081730900 993941157 /nfs/dbraw/zinc/94/11/57/993941157.db2.gz REFLUBZXOUBYAE-SBHAEUEKSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@]1(C)CC=CCC1 ZINC001081730900 993941167 /nfs/dbraw/zinc/94/11/67/993941167.db2.gz REFLUBZXOUBYAE-SBHAEUEKSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C[C@H]1C=CCCC1 ZINC001081847067 994018318 /nfs/dbraw/zinc/01/83/18/994018318.db2.gz SJCGEGXFFCWXAT-CWFSZBLJSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C[C@H]1C=CCCC1 ZINC001081847067 994018324 /nfs/dbraw/zinc/01/83/24/994018324.db2.gz SJCGEGXFFCWXAT-CWFSZBLJSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001081933524 994054585 /nfs/dbraw/zinc/05/45/85/994054585.db2.gz HUTMFZYYHXGNTQ-PSBWJHGTSA-N 1 2 373.472 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001081933524 994054597 /nfs/dbraw/zinc/05/45/97/994054597.db2.gz HUTMFZYYHXGNTQ-PSBWJHGTSA-N 1 2 373.472 2.695 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[C@H]1CC=CCC1 ZINC001082029148 994125997 /nfs/dbraw/zinc/12/59/97/994125997.db2.gz JUADVDPFIMRUEH-CWFSZBLJSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[C@H]1CC=CCC1 ZINC001082029148 994126001 /nfs/dbraw/zinc/12/60/01/994126001.db2.gz JUADVDPFIMRUEH-CWFSZBLJSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H](C)c1cccs1 ZINC001082125395 994181616 /nfs/dbraw/zinc/18/16/16/994181616.db2.gz VPIQMFDVGGNKCT-BHIYHBOVSA-N 1 2 368.502 2.719 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H](C)c1cccs1 ZINC001082125395 994181621 /nfs/dbraw/zinc/18/16/21/994181621.db2.gz VPIQMFDVGGNKCT-BHIYHBOVSA-N 1 2 368.502 2.719 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001082561693 994944271 /nfs/dbraw/zinc/94/42/71/994944271.db2.gz KGFOXECOWMAIRH-HUUCEWRRSA-N 1 2 371.485 2.605 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3sccc3C#N)C2)c1 ZINC001132589543 995018014 /nfs/dbraw/zinc/01/80/14/995018014.db2.gz QMJMOUFZJQMBKU-QGZVFWFLSA-N 1 2 355.463 2.559 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3sccc3C#N)C2)c1 ZINC001132589543 995018026 /nfs/dbraw/zinc/01/80/26/995018026.db2.gz QMJMOUFZJQMBKU-QGZVFWFLSA-N 1 2 355.463 2.559 20 30 FFEDLO Cc1ccccc1OCC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000747673093 995032494 /nfs/dbraw/zinc/03/24/94/995032494.db2.gz YBZFKOMRURYPKO-UHFFFAOYSA-N 1 2 352.438 2.933 20 30 FFEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCO[C@H]1C(C)C ZINC001054042368 1015930194 /nfs/dbraw/zinc/93/01/94/1015930194.db2.gz XEZYQQWOLFAWJB-HKBOAZHASA-N 1 2 354.494 2.614 20 30 FFEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCO[C@H]1C(C)C ZINC001054042368 1015930204 /nfs/dbraw/zinc/93/02/04/1015930204.db2.gz XEZYQQWOLFAWJB-HKBOAZHASA-N 1 2 354.494 2.614 20 30 FFEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001054054923 1015937190 /nfs/dbraw/zinc/93/71/90/1015937190.db2.gz AQILDXSLWDYWAZ-ACRUOGEOSA-N 1 2 352.478 2.534 20 30 FFEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001054054923 1015937202 /nfs/dbraw/zinc/93/72/02/1015937202.db2.gz AQILDXSLWDYWAZ-ACRUOGEOSA-N 1 2 352.478 2.534 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C(F)F)s3)C2)C1 ZINC001082729241 995371502 /nfs/dbraw/zinc/37/15/02/995371502.db2.gz IQPUAFBOOFTUHO-GHMZBOCLSA-N 1 2 356.442 2.769 20 30 FFEDLO CC1(C)C(C(=O)N2CCO[C@@H]3C[N@H+](CC#Cc4ccccc4)C[C@@H]32)C1(C)C ZINC001083037657 996034500 /nfs/dbraw/zinc/03/45/00/996034500.db2.gz YCDNZTOXXOUTSW-RBUKOAKNSA-N 1 2 366.505 2.632 20 30 FFEDLO CC1(C)C(C(=O)N2CCO[C@@H]3C[N@@H+](CC#Cc4ccccc4)C[C@@H]32)C1(C)C ZINC001083037657 996034504 /nfs/dbraw/zinc/03/45/04/996034504.db2.gz YCDNZTOXXOUTSW-RBUKOAKNSA-N 1 2 366.505 2.632 20 30 FFEDLO O=C(C1=CCCC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001083048576 996046502 /nfs/dbraw/zinc/04/65/02/996046502.db2.gz AQZFSOMJGQUQSU-VQTJNVASSA-N 1 2 370.880 2.713 20 30 FFEDLO O=C(C1=CCCC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001083048576 996046506 /nfs/dbraw/zinc/04/65/06/996046506.db2.gz AQZFSOMJGQUQSU-VQTJNVASSA-N 1 2 370.880 2.713 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccco3)[C@@H]2C1 ZINC001084155970 996285223 /nfs/dbraw/zinc/28/52/23/996285223.db2.gz UVURZUHHAVYHLA-NVXWUHKLSA-N 1 2 351.406 2.506 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccco3)[C@@H]2C1 ZINC001084155970 996285231 /nfs/dbraw/zinc/28/52/31/996285231.db2.gz UVURZUHHAVYHLA-NVXWUHKLSA-N 1 2 351.406 2.506 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)cn1 ZINC001084191582 996324974 /nfs/dbraw/zinc/32/49/74/996324974.db2.gz SIVFTXGOCQRPHJ-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)cn1 ZINC001084191582 996324979 /nfs/dbraw/zinc/32/49/79/996324979.db2.gz SIVFTXGOCQRPHJ-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO O=C(c1ccccc1O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084196225 996329520 /nfs/dbraw/zinc/32/95/20/996329520.db2.gz BMJCELAMFANKJS-YLJYHZDGSA-N 1 2 364.420 2.729 20 30 FFEDLO O=C(c1ccccc1O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084196225 996329525 /nfs/dbraw/zinc/32/95/25/996329525.db2.gz BMJCELAMFANKJS-YLJYHZDGSA-N 1 2 364.420 2.729 20 30 FFEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@H]21 ZINC001084232976 996383015 /nfs/dbraw/zinc/38/30/15/996383015.db2.gz OQKZQEYFPFLAQQ-YSVLISHTSA-N 1 2 368.412 2.673 20 30 FFEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@H]21 ZINC001084232976 996383019 /nfs/dbraw/zinc/38/30/19/996383019.db2.gz OQKZQEYFPFLAQQ-YSVLISHTSA-N 1 2 368.412 2.673 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)ns1 ZINC001084307962 996440215 /nfs/dbraw/zinc/44/02/15/996440215.db2.gz AIYKWUUPUOHDKN-IEBWSBKVSA-N 1 2 351.475 2.650 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)ns1 ZINC001084307962 996440217 /nfs/dbraw/zinc/44/02/17/996440217.db2.gz AIYKWUUPUOHDKN-IEBWSBKVSA-N 1 2 351.475 2.650 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084420880 996519775 /nfs/dbraw/zinc/51/97/75/996519775.db2.gz UVPMPAYVWXYSMC-SMOSDQRPSA-N 1 2 371.456 2.545 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084420880 996519779 /nfs/dbraw/zinc/51/97/79/996519779.db2.gz UVPMPAYVWXYSMC-SMOSDQRPSA-N 1 2 371.456 2.545 20 30 FFEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826729952 1016041341 /nfs/dbraw/zinc/04/13/41/1016041341.db2.gz LABCQBYYPVIFNO-LJQANCHMSA-N 1 2 364.449 2.511 20 30 FFEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000826729952 1016041351 /nfs/dbraw/zinc/04/13/51/1016041351.db2.gz LABCQBYYPVIFNO-LJQANCHMSA-N 1 2 364.449 2.511 20 30 FFEDLO Cc1cnc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)cc1C ZINC001084537028 996657405 /nfs/dbraw/zinc/65/74/05/996657405.db2.gz DEIPIPNRCMKOCF-TZIWHRDSSA-N 1 2 360.461 2.917 20 30 FFEDLO Cc1cnc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)cc1C ZINC001084537028 996657407 /nfs/dbraw/zinc/65/74/07/996657407.db2.gz DEIPIPNRCMKOCF-TZIWHRDSSA-N 1 2 360.461 2.917 20 30 FFEDLO CO[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21)C1CCC1 ZINC001084552822 996672068 /nfs/dbraw/zinc/67/20/68/996672068.db2.gz QWTBMYJFKRELLI-HMXCVIKNSA-N 1 2 370.468 2.525 20 30 FFEDLO CO[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21)C1CCC1 ZINC001084552822 996672069 /nfs/dbraw/zinc/67/20/69/996672069.db2.gz QWTBMYJFKRELLI-HMXCVIKNSA-N 1 2 370.468 2.525 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)N(C)c3ccccc3)C[C@H]21 ZINC001084574602 996703452 /nfs/dbraw/zinc/70/34/52/996703452.db2.gz FBIKCNHOKNMGJO-ZHALLVOQSA-N 1 2 369.509 2.783 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)N(C)c3ccccc3)C[C@H]21 ZINC001084574602 996703455 /nfs/dbraw/zinc/70/34/55/996703455.db2.gz FBIKCNHOKNMGJO-ZHALLVOQSA-N 1 2 369.509 2.783 20 30 FFEDLO O=C(N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21)C1(CF)CCC1 ZINC001084671533 996813516 /nfs/dbraw/zinc/81/35/16/996813516.db2.gz XVQFORCEOHLBPO-IEBWSBKVSA-N 1 2 358.432 2.850 20 30 FFEDLO O=C(N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21)C1(CF)CCC1 ZINC001084671533 996813527 /nfs/dbraw/zinc/81/35/27/996813527.db2.gz XVQFORCEOHLBPO-IEBWSBKVSA-N 1 2 358.432 2.850 20 30 FFEDLO O=C(c1cncc(Cl)c1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084720576 997073089 /nfs/dbraw/zinc/07/30/89/997073089.db2.gz AQSFDPRQIYSIDC-YLJYHZDGSA-N 1 2 365.864 2.933 20 30 FFEDLO O=C(c1cncc(Cl)c1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084720576 997073102 /nfs/dbraw/zinc/07/31/02/997073102.db2.gz AQSFDPRQIYSIDC-YLJYHZDGSA-N 1 2 365.864 2.933 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)c(C)o1 ZINC001084737518 997127202 /nfs/dbraw/zinc/12/72/02/997127202.db2.gz OCJLSMOQGQPYEW-CRAIPNDOSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)c(C)o1 ZINC001084737518 997127208 /nfs/dbraw/zinc/12/72/08/997127208.db2.gz OCJLSMOQGQPYEW-CRAIPNDOSA-N 1 2 368.412 2.649 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000824872458 997137909 /nfs/dbraw/zinc/13/79/09/997137909.db2.gz SSJXCKDADMDUJE-UHFFFAOYSA-N 1 2 358.438 2.921 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ncoc4C4CC4)[C@@H]3C2)s1 ZINC001084756677 997231360 /nfs/dbraw/zinc/23/13/60/997231360.db2.gz JSWKKCGOMKOYSH-CZUORRHYSA-N 1 2 368.462 2.832 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ncoc4C4CC4)[C@@H]3C2)s1 ZINC001084756677 997231374 /nfs/dbraw/zinc/23/13/74/997231374.db2.gz JSWKKCGOMKOYSH-CZUORRHYSA-N 1 2 368.462 2.832 20 30 FFEDLO CC(C)n1cc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)cn1 ZINC001084771061 997269411 /nfs/dbraw/zinc/26/94/11/997269411.db2.gz ONPOQPPKAYKSKZ-TZIWHRDSSA-N 1 2 362.477 2.662 20 30 FFEDLO CC(C)n1cc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)cn1 ZINC001084771061 997269417 /nfs/dbraw/zinc/26/94/17/997269417.db2.gz ONPOQPPKAYKSKZ-TZIWHRDSSA-N 1 2 362.477 2.662 20 30 FFEDLO C#CCOc1ccccc1C[N@H+](CCN1CCOCC1)Cc1ccco1 ZINC000825305481 997306676 /nfs/dbraw/zinc/30/66/76/997306676.db2.gz LABLABZMQKWIHE-UHFFFAOYSA-N 1 2 354.450 2.626 20 30 FFEDLO C#CCOc1ccccc1C[N@@H+](CCN1CCOCC1)Cc1ccco1 ZINC000825305481 997306687 /nfs/dbraw/zinc/30/66/87/997306687.db2.gz LABLABZMQKWIHE-UHFFFAOYSA-N 1 2 354.450 2.626 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccccc3F)[C@@H]2C1 ZINC001084808670 997469494 /nfs/dbraw/zinc/46/94/94/997469494.db2.gz AVHRYYACABWNNA-TZIWHRDSSA-N 1 2 363.436 2.973 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccccc3F)[C@@H]2C1 ZINC001084808670 997469501 /nfs/dbraw/zinc/46/95/01/997469501.db2.gz AVHRYYACABWNNA-TZIWHRDSSA-N 1 2 363.436 2.973 20 30 FFEDLO N#Cc1cccc(Cl)c1C[N@H+]1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001143719265 997572133 /nfs/dbraw/zinc/57/21/33/997572133.db2.gz UURYWFFCQPHHJS-CVAIRZPRSA-N 1 2 373.884 2.813 20 30 FFEDLO N#Cc1cccc(Cl)c1C[N@@H+]1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001143719265 997572142 /nfs/dbraw/zinc/57/21/42/997572142.db2.gz UURYWFFCQPHHJS-CVAIRZPRSA-N 1 2 373.884 2.813 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3)o2)C[C@H]1NC(=O)CSCC#N ZINC001206096518 1032140650 /nfs/dbraw/zinc/14/06/50/1032140650.db2.gz UBMBFBQTEJISOX-GDBMZVCRSA-N 1 2 370.478 2.535 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3)o2)C[C@H]1NC(=O)CSCC#N ZINC001206096518 1032140657 /nfs/dbraw/zinc/14/06/57/1032140657.db2.gz UBMBFBQTEJISOX-GDBMZVCRSA-N 1 2 370.478 2.535 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3snnc3C)C[C@H]21)c1ccccc1 ZINC001084847409 997631779 /nfs/dbraw/zinc/63/17/79/997631779.db2.gz UXTRNKLHECFVMT-FGTMMUONSA-N 1 2 368.506 2.849 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3snnc3C)C[C@H]21)c1ccccc1 ZINC001084847409 997631787 /nfs/dbraw/zinc/63/17/87/997631787.db2.gz UXTRNKLHECFVMT-FGTMMUONSA-N 1 2 368.506 2.849 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3Cc4cc(C)c(C)cc4O3)[C@@H]2C1 ZINC001084844620 997634641 /nfs/dbraw/zinc/63/46/41/997634641.db2.gz AQEZAUANIJQBJD-SZVBFZGTSA-N 1 2 360.885 2.892 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3Cc4cc(C)c(C)cc4O3)[C@@H]2C1 ZINC001084844620 997634646 /nfs/dbraw/zinc/63/46/46/997634646.db2.gz AQEZAUANIJQBJD-SZVBFZGTSA-N 1 2 360.885 2.892 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1NC(=O)CSCC#N ZINC001206096638 1032141478 /nfs/dbraw/zinc/14/14/78/1032141478.db2.gz XQPLPOHOPBUTEK-CHWSQXEVSA-N 1 2 366.556 2.634 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1NC(=O)CSCC#N ZINC001206096638 1032141487 /nfs/dbraw/zinc/14/14/87/1032141487.db2.gz XQPLPOHOPBUTEK-CHWSQXEVSA-N 1 2 366.556 2.634 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2cncc(C#N)c2)Cc2ncn(CC3CC3)c21 ZINC001144075592 997990330 /nfs/dbraw/zinc/99/03/30/997990330.db2.gz QHNIOGMOMWUMDM-GOSISDBHSA-N 1 2 351.454 2.696 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2cncc(C#N)c2)Cc2ncn(CC3CC3)c21 ZINC001144075592 997990344 /nfs/dbraw/zinc/99/03/44/997990344.db2.gz QHNIOGMOMWUMDM-GOSISDBHSA-N 1 2 351.454 2.696 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@H]2C1 ZINC001084907509 998010929 /nfs/dbraw/zinc/01/09/29/998010929.db2.gz VHEQASXWWCXFGD-QAPCUYQASA-N 1 2 371.456 2.735 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@H]2C1 ZINC001084907509 998010938 /nfs/dbraw/zinc/01/09/38/998010938.db2.gz VHEQASXWWCXFGD-QAPCUYQASA-N 1 2 371.456 2.735 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCO3)C[C@@H]21 ZINC001084920951 998076921 /nfs/dbraw/zinc/07/69/21/998076921.db2.gz DMZHMZJEFGEQPF-UIAACRFSSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCO3)C[C@@H]21 ZINC001084920951 998076929 /nfs/dbraw/zinc/07/69/29/998076929.db2.gz DMZHMZJEFGEQPF-UIAACRFSSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4ccns4)C[C@@H]32)c1 ZINC001084952060 998295359 /nfs/dbraw/zinc/29/53/59/998295359.db2.gz RTGLRIJUQJJIIP-PBHICJAKSA-N 1 2 370.453 2.890 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CCN(C(=O)c4ccns4)C[C@@H]32)c1 ZINC001084952060 998295367 /nfs/dbraw/zinc/29/53/67/998295367.db2.gz RTGLRIJUQJJIIP-PBHICJAKSA-N 1 2 370.453 2.890 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)COC(=O)C[C@H](C)n2cc[nH+]c2)c1C ZINC000845280800 998462842 /nfs/dbraw/zinc/46/28/42/998462842.db2.gz GIORJMUHANYFFV-INIZCTEOSA-N 1 2 368.437 2.941 20 30 FFEDLO C=CCNC(=S)C(C(=O)C1=CCC(=NC(N)=O)C=C1)[n+]1cccc(C)c1 ZINC000732178132 998526947 /nfs/dbraw/zinc/52/69/47/998526947.db2.gz YETRWMFYJRJSEU-UHFFFAOYSA-O 1 2 369.470 2.572 20 30 FFEDLO C#Cc1ccc(C[N@H+]2CCO[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)cc1 ZINC001144567804 998659139 /nfs/dbraw/zinc/65/91/39/998659139.db2.gz CTQDEEGJVJKLHQ-OALUTQOASA-N 1 2 356.466 2.878 20 30 FFEDLO C#Cc1ccc(C[N@@H+]2CCO[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)cc1 ZINC001144567804 998659142 /nfs/dbraw/zinc/65/91/42/998659142.db2.gz CTQDEEGJVJKLHQ-OALUTQOASA-N 1 2 356.466 2.878 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3C(C)(C)C)[C@H]2C1 ZINC001085006358 998659265 /nfs/dbraw/zinc/65/92/65/998659265.db2.gz PRZQDMAYUOWMDX-CVEARBPZSA-N 1 2 359.518 2.668 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3C(C)(C)C)[C@H]2C1 ZINC001085006358 998659266 /nfs/dbraw/zinc/65/92/66/998659266.db2.gz PRZQDMAYUOWMDX-CVEARBPZSA-N 1 2 359.518 2.668 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3CC)[C@H]2C1 ZINC001085024008 998701041 /nfs/dbraw/zinc/70/10/41/998701041.db2.gz NENGZXJWWCWONB-UWVAXJGDSA-N 1 2 359.518 2.632 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3CC)[C@H]2C1 ZINC001085024008 998701046 /nfs/dbraw/zinc/70/10/46/998701046.db2.gz NENGZXJWWCWONB-UWVAXJGDSA-N 1 2 359.518 2.632 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccon1 ZINC001049783713 1016267763 /nfs/dbraw/zinc/26/77/63/1016267763.db2.gz VDUQQRWPBOTBLD-MANSERQUSA-N 1 2 359.470 2.611 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccon1 ZINC001049783713 1016267765 /nfs/dbraw/zinc/26/77/65/1016267765.db2.gz VDUQQRWPBOTBLD-MANSERQUSA-N 1 2 359.470 2.611 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1oc(CC)nc1C ZINC001085601240 999584525 /nfs/dbraw/zinc/58/45/25/999584525.db2.gz RACNNDKNMRVJGP-BBWFWOEESA-N 1 2 361.486 2.559 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1oc(CC)nc1C ZINC001085601240 999584528 /nfs/dbraw/zinc/58/45/28/999584528.db2.gz RACNNDKNMRVJGP-BBWFWOEESA-N 1 2 361.486 2.559 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085600214 999586463 /nfs/dbraw/zinc/58/64/63/999586463.db2.gz MXPPXDFGTBROFI-GGPKGHCWSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085600214 999586466 /nfs/dbraw/zinc/58/64/66/999586466.db2.gz MXPPXDFGTBROFI-GGPKGHCWSA-N 1 2 371.456 2.711 20 30 FFEDLO N#Cc1c(F)cccc1NCC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001066397597 999768543 /nfs/dbraw/zinc/76/85/43/999768543.db2.gz LFRUFFYKJVTIHA-RRFJBIMHSA-N 1 2 367.428 2.875 20 30 FFEDLO N#Cc1c(F)cccc1NCC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001066397597 999768546 /nfs/dbraw/zinc/76/85/46/999768546.db2.gz LFRUFFYKJVTIHA-RRFJBIMHSA-N 1 2 367.428 2.875 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](N4CCCCC4=O)C3)o2)c1 ZINC000743848685 999833513 /nfs/dbraw/zinc/83/35/13/999833513.db2.gz XPPOPBWBYZLYIN-QGZVFWFLSA-N 1 2 365.437 2.585 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](N4CCCCC4=O)C3)o2)c1 ZINC000743848685 999833516 /nfs/dbraw/zinc/83/35/16/999833516.db2.gz XPPOPBWBYZLYIN-QGZVFWFLSA-N 1 2 365.437 2.585 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC001108268227 999860601 /nfs/dbraw/zinc/86/06/01/999860601.db2.gz WBOGUWJSVBELQN-TUNNFDKTSA-N 1 2 354.494 2.637 20 30 FFEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC001108268227 999860604 /nfs/dbraw/zinc/86/06/04/999860604.db2.gz WBOGUWJSVBELQN-TUNNFDKTSA-N 1 2 354.494 2.637 20 30 FFEDLO C=CC[C@]1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CCCN1C(=O)OC(C)(C)C ZINC000804334944 1000069330 /nfs/dbraw/zinc/06/93/30/1000069330.db2.gz NEKBYTIGUFPFLZ-FOIQADDNSA-N 1 2 374.485 2.660 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(F)cncc1F)C2 ZINC001095474803 1016383369 /nfs/dbraw/zinc/38/33/69/1016383369.db2.gz BEHGBEWAOTZXBW-JLSDUUJJSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(F)cncc1F)C2 ZINC001095474803 1016383379 /nfs/dbraw/zinc/38/33/79/1016383379.db2.gz BEHGBEWAOTZXBW-JLSDUUJJSA-N 1 2 368.387 2.767 20 30 FFEDLO COc1cccc(S(C)(=O)=O)c1N=NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000767394247 1000112990 /nfs/dbraw/zinc/11/29/90/1000112990.db2.gz UYLUNTUEVQWDHW-UHFFFAOYSA-N 1 2 370.434 2.730 20 30 FFEDLO COc1cccc([C@@H]2CN(C(=O)c3ccc4c(C#N)c[nH]c4c3)CC[NH2+]2)c1 ZINC001169973467 1000138905 /nfs/dbraw/zinc/13/89/05/1000138905.db2.gz CCKFSMOSPAYXKC-FQEVSTJZSA-N 1 2 360.417 2.835 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccncc1Cl ZINC001109038165 1000157245 /nfs/dbraw/zinc/15/72/45/1000157245.db2.gz MMSIAKHFODAVSS-WCZJQEMASA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccncc1Cl ZINC001109038165 1000157246 /nfs/dbraw/zinc/15/72/46/1000157246.db2.gz MMSIAKHFODAVSS-WCZJQEMASA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1Cl ZINC001109071345 1000161476 /nfs/dbraw/zinc/16/14/76/1000161476.db2.gz XGCGINFMYBKAGT-KBMXLJTQSA-N 1 2 352.837 2.903 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1Cl ZINC001109071345 1000161477 /nfs/dbraw/zinc/16/14/77/1000161477.db2.gz XGCGINFMYBKAGT-KBMXLJTQSA-N 1 2 352.837 2.903 20 30 FFEDLO CC[C@H](C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109162376 1000177643 /nfs/dbraw/zinc/17/76/43/1000177643.db2.gz KAWDWBGULGVOIZ-BIGGFVEDSA-N 1 2 359.445 2.734 20 30 FFEDLO CC[C@H](C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109162376 1000177645 /nfs/dbraw/zinc/17/76/45/1000177645.db2.gz KAWDWBGULGVOIZ-BIGGFVEDSA-N 1 2 359.445 2.734 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)Nc1ccc(C)cc1 ZINC001109204656 1000186026 /nfs/dbraw/zinc/18/60/26/1000186026.db2.gz UTWHPWSMTMAVTP-LMCOJAPRSA-N 1 2 367.493 2.847 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)Nc1ccc(C)cc1 ZINC001109204656 1000186027 /nfs/dbraw/zinc/18/60/27/1000186027.db2.gz UTWHPWSMTMAVTP-LMCOJAPRSA-N 1 2 367.493 2.847 20 30 FFEDLO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)C)C2 ZINC001109251056 1000201865 /nfs/dbraw/zinc/20/18/65/1000201865.db2.gz YQRKVZZCJWQLMH-HNJRGHQBSA-N 1 2 367.493 2.703 20 30 FFEDLO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)C)C2 ZINC001109251056 1000201866 /nfs/dbraw/zinc/20/18/66/1000201866.db2.gz YQRKVZZCJWQLMH-HNJRGHQBSA-N 1 2 367.493 2.703 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nnn1CC ZINC001109335530 1000284943 /nfs/dbraw/zinc/28/49/43/1000284943.db2.gz WCLRPNXIGJOZAU-ILXRZTDVSA-N 1 2 365.909 2.607 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nnn1CC ZINC001109335530 1000284944 /nfs/dbraw/zinc/28/49/44/1000284944.db2.gz WCLRPNXIGJOZAU-ILXRZTDVSA-N 1 2 365.909 2.607 20 30 FFEDLO N#CCn1c(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)nc2ccccc2c1=O ZINC000768557503 1000298580 /nfs/dbraw/zinc/29/85/80/1000298580.db2.gz VLDLDGPIBMADIG-GOSISDBHSA-N 1 2 373.460 2.997 20 30 FFEDLO N#CCn1c(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)nc2ccccc2c1=O ZINC000768557503 1000298586 /nfs/dbraw/zinc/29/85/86/1000298586.db2.gz VLDLDGPIBMADIG-GOSISDBHSA-N 1 2 373.460 2.997 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1)OCC ZINC001109357299 1000303434 /nfs/dbraw/zinc/30/34/34/1000303434.db2.gz AKEHIYCXXSCKOY-XWSJACJDSA-N 1 2 361.461 2.814 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1)OCC ZINC001109357299 1000303439 /nfs/dbraw/zinc/30/34/39/1000303439.db2.gz AKEHIYCXXSCKOY-XWSJACJDSA-N 1 2 361.461 2.814 20 30 FFEDLO N#Cc1c(F)cccc1N[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001091287695 1000391796 /nfs/dbraw/zinc/39/17/96/1000391796.db2.gz YHLNCEYHRBGBBV-QZTJIDSGSA-N 1 2 355.417 2.823 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)nn1 ZINC000846812261 1000447470 /nfs/dbraw/zinc/44/74/70/1000447470.db2.gz UIMXOFLMXNYBFX-RDJZCZTQSA-N 1 2 363.506 2.979 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)nn1 ZINC000846812261 1000447472 /nfs/dbraw/zinc/44/74/72/1000447472.db2.gz UIMXOFLMXNYBFX-RDJZCZTQSA-N 1 2 363.506 2.979 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH2+][C@H](CCO)c1ccco1 ZINC000769223714 1000468965 /nfs/dbraw/zinc/46/89/65/1000468965.db2.gz WZZMFRRRZLQDOR-GDBMZVCRSA-N 1 2 362.389 2.530 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CCCC)cc1)C2 ZINC001109498877 1000568529 /nfs/dbraw/zinc/56/85/29/1000568529.db2.gz CGEYEKIFANJTMP-AABGKKOBSA-N 1 2 369.509 2.667 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CCCC)cc1)C2 ZINC001109498877 1000568533 /nfs/dbraw/zinc/56/85/33/1000568533.db2.gz CGEYEKIFANJTMP-AABGKKOBSA-N 1 2 369.509 2.667 20 30 FFEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001146220305 1000640957 /nfs/dbraw/zinc/64/09/57/1000640957.db2.gz CSPJFTUMZMIILA-UXHICEINSA-N 1 2 374.444 2.995 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)C2(C)CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001146347675 1000662089 /nfs/dbraw/zinc/66/20/89/1000662089.db2.gz WEJZKKVTORIAFE-UHFFFAOYSA-N 1 2 365.518 2.790 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(CC)c1ccccc1 ZINC001109605444 1000715769 /nfs/dbraw/zinc/71/57/69/1000715769.db2.gz BQDIFQBWRJXNRT-QYZOEREBSA-N 1 2 369.509 2.973 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(CC)c1ccccc1 ZINC001109605444 1000715772 /nfs/dbraw/zinc/71/57/72/1000715772.db2.gz BQDIFQBWRJXNRT-QYZOEREBSA-N 1 2 369.509 2.973 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC(C)(C)C ZINC001109632865 1000748875 /nfs/dbraw/zinc/74/88/75/1000748875.db2.gz GLFQLABYKCNFBH-MHORFTMASA-N 1 2 363.546 2.863 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC(C)(C)C ZINC001109632865 1000748880 /nfs/dbraw/zinc/74/88/80/1000748880.db2.gz GLFQLABYKCNFBH-MHORFTMASA-N 1 2 363.546 2.863 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)CCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001109640129 1000753782 /nfs/dbraw/zinc/75/37/82/1000753782.db2.gz QQPMDGKRRIRKOD-SJORKVTESA-N 1 2 358.486 2.904 20 30 FFEDLO C#CCCCCCC(=O)NC[C@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091623886 1000844181 /nfs/dbraw/zinc/84/41/81/1000844181.db2.gz UKPRYNJRNFDKEK-JKSUJKDBSA-N 1 2 368.485 2.644 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)CC1 ZINC001147283328 1000870565 /nfs/dbraw/zinc/87/05/65/1000870565.db2.gz HGVVKWFXWVLHOF-UHFFFAOYSA-N 1 2 356.397 2.779 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)CC1 ZINC001147283328 1000870571 /nfs/dbraw/zinc/87/05/71/1000870571.db2.gz HGVVKWFXWVLHOF-UHFFFAOYSA-N 1 2 356.397 2.779 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CF)CCOCC1)C2 ZINC001109720199 1000907619 /nfs/dbraw/zinc/90/76/19/1000907619.db2.gz WUSAZGGEEHZXON-QYZOEREBSA-N 1 2 371.456 2.546 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CF)CCOCC1)C2 ZINC001109720199 1000907624 /nfs/dbraw/zinc/90/76/24/1000907624.db2.gz WUSAZGGEEHZXON-QYZOEREBSA-N 1 2 371.456 2.546 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3ccccc3)o1)C2 ZINC001109745327 1000937497 /nfs/dbraw/zinc/93/74/97/1000937497.db2.gz KCVNJFIQYLSTMS-QYZOEREBSA-N 1 2 364.445 2.932 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3ccccc3)o1)C2 ZINC001109745327 1000937502 /nfs/dbraw/zinc/93/75/02/1000937502.db2.gz KCVNJFIQYLSTMS-QYZOEREBSA-N 1 2 364.445 2.932 20 30 FFEDLO c1cn2c(cccc2CN=Nc2ncnc3c2cnn3-c2ccccc2)[nH+]1 ZINC000771097337 1001007045 /nfs/dbraw/zinc/00/70/45/1001007045.db2.gz IYYHPGIEJJUWRU-UHFFFAOYSA-N 1 2 354.377 2.909 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccncc2)C3)cc1F ZINC001096730912 1016483113 /nfs/dbraw/zinc/48/31/13/1016483113.db2.gz PRIQRIYLGBZVIC-QRQLOZEOSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccncc2)C3)cc1F ZINC001096730912 1016483118 /nfs/dbraw/zinc/48/31/18/1016483118.db2.gz PRIQRIYLGBZVIC-QRQLOZEOSA-N 1 2 350.397 2.628 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C1CCC1)C2 ZINC001110043765 1001369505 /nfs/dbraw/zinc/36/95/05/1001369505.db2.gz FOUNKHUGXODZNK-UXPWSPDFSA-N 1 2 367.493 2.591 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C1CCC1)C2 ZINC001110043765 1001369511 /nfs/dbraw/zinc/36/95/11/1001369511.db2.gz FOUNKHUGXODZNK-UXPWSPDFSA-N 1 2 367.493 2.591 20 30 FFEDLO C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1CNc1ncccc1C#N ZINC001054695974 1016500663 /nfs/dbraw/zinc/50/06/63/1016500663.db2.gz UCUOHTOVDIQPQW-CZUORRHYSA-N 1 2 360.421 2.650 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)[C@@H](C#N)c1nc(C)cs1)CC2 ZINC000746720656 1001736277 /nfs/dbraw/zinc/73/62/77/1001736277.db2.gz HWXOVAUZZLWTSN-OAHLLOKOSA-N 1 2 371.462 2.703 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)[C@@H](C#N)c1nc(C)cs1)CC2 ZINC000746720656 1001736282 /nfs/dbraw/zinc/73/62/82/1001736282.db2.gz HWXOVAUZZLWTSN-OAHLLOKOSA-N 1 2 371.462 2.703 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CCN1c1cccc(F)c1C#N ZINC001091775105 1001799423 /nfs/dbraw/zinc/79/94/23/1001799423.db2.gz PYSRHZDQFQDECU-JKSUJKDBSA-N 1 2 355.417 2.527 20 30 FFEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1cnc3ccc(Cl)nn13)CC2 ZINC001276224232 1016566410 /nfs/dbraw/zinc/56/64/10/1016566410.db2.gz CSIAAPFEUIKVFP-HNNXBMFYSA-N 1 2 373.888 2.677 20 30 FFEDLO Cc1[nH]nc(Cl)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095513157 1016592001 /nfs/dbraw/zinc/59/20/01/1016592001.db2.gz JIVQWINJMBKWGF-PMPSAXMXSA-N 1 2 369.856 2.779 20 30 FFEDLO Cc1[nH]nc(Cl)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095513157 1016592016 /nfs/dbraw/zinc/59/20/16/1016592016.db2.gz JIVQWINJMBKWGF-PMPSAXMXSA-N 1 2 369.856 2.779 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171373422 1002351254 /nfs/dbraw/zinc/35/12/54/1002351254.db2.gz YUSMQMZLQOFXTG-DNVCBOLYSA-N 1 2 374.435 2.753 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171373422 1002351268 /nfs/dbraw/zinc/35/12/68/1002351268.db2.gz YUSMQMZLQOFXTG-DNVCBOLYSA-N 1 2 374.435 2.753 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC(F)(F)F)c1)C2 ZINC001095538576 1016685911 /nfs/dbraw/zinc/68/59/11/1016685911.db2.gz AEGCPPDKZZFGBF-AGIUHOORSA-N 1 2 362.783 2.533 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC(F)(F)F)c1)C2 ZINC001095538576 1016685916 /nfs/dbraw/zinc/68/59/16/1016685916.db2.gz AEGCPPDKZZFGBF-AGIUHOORSA-N 1 2 362.783 2.533 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110366225 1003014694 /nfs/dbraw/zinc/01/46/94/1003014694.db2.gz MOSKTKWBLDEUSN-OBZTUIKSSA-N 1 2 353.466 2.761 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110366225 1003014709 /nfs/dbraw/zinc/01/47/09/1003014709.db2.gz MOSKTKWBLDEUSN-OBZTUIKSSA-N 1 2 353.466 2.761 20 30 FFEDLO Cc1cc(C[N@@H+]2CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC000774911033 1003017798 /nfs/dbraw/zinc/01/77/98/1003017798.db2.gz FOKQDOXKEDFGSV-QAPCUYQASA-N 1 2 359.470 2.981 20 30 FFEDLO Cc1cc(C[N@H+]2CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC000774911033 1003017810 /nfs/dbraw/zinc/01/78/10/1003017810.db2.gz FOKQDOXKEDFGSV-QAPCUYQASA-N 1 2 359.470 2.981 20 30 FFEDLO Cc1cccn2c(/C=C3\CCc4c(cnn4-c4ncccn4)C3=O)c[nH+]c12 ZINC000792900744 1003222973 /nfs/dbraw/zinc/22/29/73/1003222973.db2.gz QVOAZQPEIMMXOB-GXDHUFHOSA-N 1 2 356.389 2.831 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCc1nc(CCC)no1)C2 ZINC001110100213 1003330277 /nfs/dbraw/zinc/33/02/77/1003330277.db2.gz AGGSNKXQPJMMJZ-ILXRZTDVSA-N 1 2 366.893 2.819 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCc1nc(CCC)no1)C2 ZINC001110100213 1003330286 /nfs/dbraw/zinc/33/02/86/1003330286.db2.gz AGGSNKXQPJMMJZ-ILXRZTDVSA-N 1 2 366.893 2.819 20 30 FFEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000793510938 1003392550 /nfs/dbraw/zinc/39/25/50/1003392550.db2.gz ZFNCYEHZPCORTB-AZUAARDMSA-N 1 2 371.481 2.627 20 30 FFEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000793510938 1003392555 /nfs/dbraw/zinc/39/25/55/1003392555.db2.gz ZFNCYEHZPCORTB-AZUAARDMSA-N 1 2 371.481 2.627 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ccc(F)cc1F ZINC001110385089 1003443938 /nfs/dbraw/zinc/44/39/38/1003443938.db2.gz LHPXAFVJJAVHKK-GGBBIFEXSA-N 1 2 350.409 2.950 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ccc(F)cc1F ZINC001110385089 1003443944 /nfs/dbraw/zinc/44/39/44/1003443944.db2.gz LHPXAFVJJAVHKK-GGBBIFEXSA-N 1 2 350.409 2.950 20 30 FFEDLO CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cccc3[nH+]ccn32)C1=O ZINC000793986505 1003543588 /nfs/dbraw/zinc/54/35/88/1003543588.db2.gz MUCNFVFOIWWKNR-LJQANCHMSA-N 1 2 371.441 2.650 20 30 FFEDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)o2)C1 ZINC001196110069 1003660230 /nfs/dbraw/zinc/66/02/30/1003660230.db2.gz FDQKTCVPDVUYJC-ZDUSSCGKSA-N 1 2 362.455 2.671 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F)n1cccc1 ZINC001096958483 1016827274 /nfs/dbraw/zinc/82/72/74/1016827274.db2.gz CXQXOHZBAFGWLE-GVXRKXQCSA-N 1 2 366.440 2.982 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F)n1cccc1 ZINC001096958483 1016827291 /nfs/dbraw/zinc/82/72/91/1016827291.db2.gz CXQXOHZBAFGWLE-GVXRKXQCSA-N 1 2 366.440 2.982 20 30 FFEDLO C#CC[C@@H](Cc1ccccc1)Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000804809404 1003851708 /nfs/dbraw/zinc/85/17/08/1003851708.db2.gz ALBYQYUGZUGULT-RBUKOAKNSA-N 1 2 350.466 2.874 20 30 FFEDLO C#CC[C@@H](Cc1ccccc1)Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000804809404 1003851729 /nfs/dbraw/zinc/85/17/29/1003851729.db2.gz ALBYQYUGZUGULT-RBUKOAKNSA-N 1 2 350.466 2.874 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H](C)CC)C3)c1 ZINC001110491065 1004174466 /nfs/dbraw/zinc/17/44/66/1004174466.db2.gz BKIRULGUDFFWPX-XLNTUCKNSA-N 1 2 367.493 2.764 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H](C)CC)C3)c1 ZINC001110491065 1004174470 /nfs/dbraw/zinc/17/44/70/1004174470.db2.gz BKIRULGUDFFWPX-XLNTUCKNSA-N 1 2 367.493 2.764 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H](C)CC)C3)c1 ZINC001110491064 1004174616 /nfs/dbraw/zinc/17/46/16/1004174616.db2.gz BKIRULGUDFFWPX-OBZTUIKSSA-N 1 2 367.493 2.764 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H](C)CC)C3)c1 ZINC001110491064 1004174622 /nfs/dbraw/zinc/17/46/22/1004174622.db2.gz BKIRULGUDFFWPX-OBZTUIKSSA-N 1 2 367.493 2.764 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(-c2ccco2)on1 ZINC001110493608 1004272969 /nfs/dbraw/zinc/27/29/69/1004272969.db2.gz XPTQCXSZXNAFRF-ZACQAIPSSA-N 1 2 353.422 2.960 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(-c2ccco2)on1 ZINC001110493608 1004272973 /nfs/dbraw/zinc/27/29/73/1004272973.db2.gz XPTQCXSZXNAFRF-ZACQAIPSSA-N 1 2 353.422 2.960 20 30 FFEDLO C[C@H](C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2)C1CCCCC1 ZINC001273750033 1004322437 /nfs/dbraw/zinc/32/24/37/1004322437.db2.gz ISESSOCJBYQDAE-INIZCTEOSA-N 1 2 354.498 2.757 20 30 FFEDLO C[C@@H](C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2)C1CCCCC1 ZINC001273750035 1004322686 /nfs/dbraw/zinc/32/26/86/1004322686.db2.gz ISESSOCJBYQDAE-MRXNPFEDSA-N 1 2 354.498 2.757 20 30 FFEDLO CCCCCCC[C@H](C)NC(=O)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001192949417 1004324659 /nfs/dbraw/zinc/32/46/59/1004324659.db2.gz AAIXZLNBALDQTB-HOCLYGCPSA-N 1 2 352.479 2.552 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1C ZINC001110459436 1004493316 /nfs/dbraw/zinc/49/33/16/1004493316.db2.gz KMSGCAXRHFJHQV-RLLQIKCJSA-N 1 2 367.493 2.849 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1C ZINC001110459436 1004493321 /nfs/dbraw/zinc/49/33/21/1004493321.db2.gz KMSGCAXRHFJHQV-RLLQIKCJSA-N 1 2 367.493 2.849 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O)C(C)(C)C ZINC001194137794 1004671634 /nfs/dbraw/zinc/67/16/34/1004671634.db2.gz ZQKQEVPPQMPWDK-BMGDILEWSA-N 1 2 362.901 2.535 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O)C(C)(C)C ZINC001194137794 1004671640 /nfs/dbraw/zinc/67/16/40/1004671640.db2.gz ZQKQEVPPQMPWDK-BMGDILEWSA-N 1 2 362.901 2.535 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CCCC2CCCCC2)C[C@H]1NCC#N ZINC001131119721 1004732465 /nfs/dbraw/zinc/73/24/65/1004732465.db2.gz RYCFXDSEQKZQRY-QZTJIDSGSA-N 1 2 357.502 2.578 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001050143262 1016907320 /nfs/dbraw/zinc/90/73/20/1016907320.db2.gz AAVGDSHMKKFILJ-MLHJIOFPSA-N 1 2 371.481 2.566 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001050143262 1016907335 /nfs/dbraw/zinc/90/73/35/1016907335.db2.gz AAVGDSHMKKFILJ-MLHJIOFPSA-N 1 2 371.481 2.566 20 30 FFEDLO O=C(CCC1CCCCCC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001194798626 1004828745 /nfs/dbraw/zinc/82/87/45/1004828745.db2.gz MOBASQGTHMXXAK-FGZHOGPDSA-N 1 2 368.521 2.950 20 30 FFEDLO O=C(CCC1CCCCCC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001194798626 1004828750 /nfs/dbraw/zinc/82/87/50/1004828750.db2.gz MOBASQGTHMXXAK-FGZHOGPDSA-N 1 2 368.521 2.950 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](Cc2[nH]c(C)cc2C)Cc2nnn(CC3CC3)c21 ZINC001137324380 1016921492 /nfs/dbraw/zinc/92/14/92/1016921492.db2.gz QHFRVOKJILVURP-QGZVFWFLSA-N 1 2 355.486 2.935 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](Cc2[nH]c(C)cc2C)Cc2nnn(CC3CC3)c21 ZINC001137324380 1016921481 /nfs/dbraw/zinc/92/14/81/1016921481.db2.gz QHFRVOKJILVURP-QGZVFWFLSA-N 1 2 355.486 2.935 20 30 FFEDLO CCCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001195769869 1005034478 /nfs/dbraw/zinc/03/44/78/1005034478.db2.gz DFEFGGAEXYYJMV-QZTJIDSGSA-N 1 2 362.901 2.679 20 30 FFEDLO CCCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001195769869 1005034482 /nfs/dbraw/zinc/03/44/82/1005034482.db2.gz DFEFGGAEXYYJMV-QZTJIDSGSA-N 1 2 362.901 2.679 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)c1F ZINC001110546196 1005072512 /nfs/dbraw/zinc/07/25/12/1005072512.db2.gz PXJXAAAGVAIJCA-JFOHDYCDSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)c1F ZINC001110546196 1005072514 /nfs/dbraw/zinc/07/25/14/1005072514.db2.gz PXJXAAAGVAIJCA-JFOHDYCDSA-N 1 2 364.848 2.739 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccc2Cl)C[C@H]1O ZINC001195924669 1005075070 /nfs/dbraw/zinc/07/50/70/1005075070.db2.gz YBEYKHNOUCWXAZ-LMMKCTJWSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccc2Cl)C[C@H]1O ZINC001195924669 1005075076 /nfs/dbraw/zinc/07/50/76/1005075076.db2.gz YBEYKHNOUCWXAZ-LMMKCTJWSA-N 1 2 366.889 2.612 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1)C1CC1 ZINC001110569415 1005257546 /nfs/dbraw/zinc/25/75/46/1005257546.db2.gz MZUWZFBUACBCEJ-LMCOJAPRSA-N 1 2 371.456 2.734 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1)C1CC1 ZINC001110569415 1005257552 /nfs/dbraw/zinc/25/75/52/1005257552.db2.gz MZUWZFBUACBCEJ-LMCOJAPRSA-N 1 2 371.456 2.734 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)cn2)C[C@H]1c1ccccc1 ZINC001488885089 1005378020 /nfs/dbraw/zinc/37/80/20/1005378020.db2.gz NZNADYBHNOMWRS-VQTJNVASSA-N 1 2 362.477 2.673 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ncc(C)cn2)C[C@H]1c1ccccc1 ZINC001488885089 1005378022 /nfs/dbraw/zinc/37/80/22/1005378022.db2.gz NZNADYBHNOMWRS-VQTJNVASSA-N 1 2 362.477 2.673 20 30 FFEDLO Cc1conc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C#CC(C)C)C1 ZINC001488885498 1005378235 /nfs/dbraw/zinc/37/82/35/1005378235.db2.gz WALCFYCMURCAKD-AZUAARDMSA-N 1 2 351.450 2.727 20 30 FFEDLO Cc1conc1C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C#CC(C)C)C1 ZINC001488885498 1005378236 /nfs/dbraw/zinc/37/82/36/1005378236.db2.gz WALCFYCMURCAKD-AZUAARDMSA-N 1 2 351.450 2.727 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001489251308 1005438653 /nfs/dbraw/zinc/43/86/53/1005438653.db2.gz QZSBSHDRIIZLCK-VCBZYWHSSA-N 1 2 361.461 2.837 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001489251308 1005438655 /nfs/dbraw/zinc/43/86/55/1005438655.db2.gz QZSBSHDRIIZLCK-VCBZYWHSSA-N 1 2 361.461 2.837 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@H]21 ZINC001489266200 1005444333 /nfs/dbraw/zinc/44/43/33/1005444333.db2.gz AHWQVYGLJDDTIX-RBUKOAKNSA-N 1 2 367.493 2.873 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1CC ZINC001490009684 1005614618 /nfs/dbraw/zinc/61/46/18/1005614618.db2.gz AUBXHMMJGKRBSY-DOTOQJQBSA-N 1 2 354.454 2.884 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(c2ccccc2)C1=O ZINC001110610523 1005670543 /nfs/dbraw/zinc/67/05/43/1005670543.db2.gz HGUVNINQKGZOTR-ZRNYENFQSA-N 1 2 367.493 2.870 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(c2ccccc2)C1=O ZINC001110610523 1005670545 /nfs/dbraw/zinc/67/05/45/1005670545.db2.gz HGUVNINQKGZOTR-ZRNYENFQSA-N 1 2 367.493 2.870 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1C1CCC1)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110629616 1005871450 /nfs/dbraw/zinc/87/14/50/1005871450.db2.gz JCFXIUJEJPIQOI-RBUKOAKNSA-N 1 2 352.482 2.652 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncoc3C(C)C)C[C@H]21 ZINC001187226130 1005965952 /nfs/dbraw/zinc/96/59/52/1005965952.db2.gz OJXDSOIMJXZBBX-XYJFISCASA-N 1 2 361.486 2.812 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ncoc3C(C)C)C[C@H]21 ZINC001187226130 1005965958 /nfs/dbraw/zinc/96/59/58/1005965958.db2.gz OJXDSOIMJXZBBX-XYJFISCASA-N 1 2 361.486 2.812 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCO[C@H]1c1ccncc1)C2 ZINC001097091052 1017023283 /nfs/dbraw/zinc/02/32/83/1017023283.db2.gz JOSCRFRDUZPGPH-DZVNLGKHSA-N 1 2 361.873 2.633 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCO[C@H]1c1ccncc1)C2 ZINC001097091052 1017023295 /nfs/dbraw/zinc/02/32/95/1017023295.db2.gz JOSCRFRDUZPGPH-DZVNLGKHSA-N 1 2 361.873 2.633 20 30 FFEDLO C#C[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C1CCOCC1 ZINC000852642053 1006120003 /nfs/dbraw/zinc/12/00/03/1006120003.db2.gz HQHOELXFMQJWNO-LJQANCHMSA-N 1 2 358.486 2.513 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852736123 1006163259 /nfs/dbraw/zinc/16/32/59/1006163259.db2.gz UUNHTRDORAYZNT-ARFHVFGLSA-N 1 2 369.481 2.513 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852736123 1006163265 /nfs/dbraw/zinc/16/32/65/1006163265.db2.gz UUNHTRDORAYZNT-ARFHVFGLSA-N 1 2 369.481 2.513 20 30 FFEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1ncc(Cc2cccc(C)c2)s1 ZINC000852751669 1006169429 /nfs/dbraw/zinc/16/94/29/1006169429.db2.gz DDACTFWIFJZXIY-UHFFFAOYSA-N 1 2 371.506 2.953 20 30 FFEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1ncc(Cc2cccc(C)c2)s1 ZINC000852751669 1006169433 /nfs/dbraw/zinc/16/94/33/1006169433.db2.gz DDACTFWIFJZXIY-UHFFFAOYSA-N 1 2 371.506 2.953 20 30 FFEDLO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C#CC(C)C)[C@@H]2C1 ZINC001187827424 1006284186 /nfs/dbraw/zinc/28/41/86/1006284186.db2.gz IECFIXXYJSGSCB-CMKODMSKSA-N 1 2 367.493 2.514 20 30 FFEDLO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C#CC(C)C)[C@@H]2C1 ZINC001187827424 1006284197 /nfs/dbraw/zinc/28/41/97/1006284197.db2.gz IECFIXXYJSGSCB-CMKODMSKSA-N 1 2 367.493 2.514 20 30 FFEDLO NC(=[NH+]OCCO[C@H]1CC1(F)F)c1ccc(OCc2cccnc2)cc1 ZINC000853658683 1006495716 /nfs/dbraw/zinc/49/57/16/1006495716.db2.gz KXDOWDRPXKCQHI-INIZCTEOSA-N 1 2 363.364 2.722 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1coc(-c2ccccc2)n1 ZINC001110402730 1006734660 /nfs/dbraw/zinc/73/46/60/1006734660.db2.gz AOXZRXZZJBBFHZ-PILAGYSTSA-N 1 2 350.422 2.723 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1coc(-c2ccccc2)n1 ZINC001110402730 1006734673 /nfs/dbraw/zinc/73/46/73/1006734673.db2.gz AOXZRXZZJBBFHZ-PILAGYSTSA-N 1 2 350.422 2.723 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000884152372 1007273937 /nfs/dbraw/zinc/27/39/37/1007273937.db2.gz JCBRRLBGVUAGBH-VQTJNVASSA-N 1 2 364.445 2.759 20 30 FFEDLO C=CCNc1nc(C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)cs1 ZINC000817179854 1007459541 /nfs/dbraw/zinc/45/95/41/1007459541.db2.gz DPEBRWALVSGLIJ-UHFFFAOYSA-N 1 2 373.478 2.930 20 30 FFEDLO N#CCc1ccccc1C(=O)OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817182038 1007461157 /nfs/dbraw/zinc/46/11/57/1007461157.db2.gz SRQYZFPDAJAIAP-UHFFFAOYSA-N 1 2 350.418 2.942 20 30 FFEDLO N#CCc1ccc(C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000817183906 1007462811 /nfs/dbraw/zinc/46/28/11/1007462811.db2.gz ZQPVIUXCQZQNCF-UHFFFAOYSA-N 1 2 350.418 2.942 20 30 FFEDLO C=C(C)COCCNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000135020344 1007474779 /nfs/dbraw/zinc/47/47/79/1007474779.db2.gz UGBWGPHRUXCTLB-UHFFFAOYSA-N 1 2 360.502 2.613 20 30 FFEDLO O=C(/C=C/c1ccc(F)cc1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC001135891772 1007549883 /nfs/dbraw/zinc/54/98/83/1007549883.db2.gz KXMVUMUUZIRWAQ-DHZHZOJOSA-N 1 2 366.436 2.795 20 30 FFEDLO c1cc(CON=C2CCC3(CC2)OCCO3)cc(C[NH+]2CCOCC2)c1 ZINC000817376400 1007569588 /nfs/dbraw/zinc/56/95/88/1007569588.db2.gz GLWMHUTYGJDNDX-UHFFFAOYSA-N 1 2 360.454 2.709 20 30 FFEDLO C=CCC1(S(=O)(=O)N2CCN(c3[nH+]ccc4ccccc43)CC2)CC1 ZINC001190796986 1007788006 /nfs/dbraw/zinc/78/80/06/1007788006.db2.gz QJKURTKUEBLNFL-UHFFFAOYSA-N 1 2 357.479 2.795 20 30 FFEDLO C#CCCN(CCOC)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000820047146 1008281619 /nfs/dbraw/zinc/28/16/19/1008281619.db2.gz PGVCXOUODRMAET-QZTJIDSGSA-N 1 2 373.497 2.799 20 30 FFEDLO C#C[C@H](NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C1CCOCC1 ZINC000820919625 1008386306 /nfs/dbraw/zinc/38/63/06/1008386306.db2.gz UOIBYHLVBODCNX-UZLBHIALSA-N 1 2 371.481 2.630 20 30 FFEDLO CC(C)C[C@H](C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)n1cc[nH+]c1 ZINC000821399513 1008452446 /nfs/dbraw/zinc/45/24/46/1008452446.db2.gz KUQGMVIVGRVOIU-MOPGFXCFSA-N 1 2 352.438 2.942 20 30 FFEDLO COC(=O)c1ccc(C(=[NH2+])Nc2ccc3nnc(-c4ccccn4)n3c2)cc1 ZINC001170989405 1008656567 /nfs/dbraw/zinc/65/65/67/1008656567.db2.gz UJFCSHBVVMJEDT-UHFFFAOYSA-N 1 2 372.388 2.615 20 30 FFEDLO CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccco2)cc1C#N ZINC001177621731 1008685805 /nfs/dbraw/zinc/68/58/05/1008685805.db2.gz GINWVXKEAMXBHD-GOSISDBHSA-N 1 2 352.394 2.713 20 30 FFEDLO CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccco2)cc1C#N ZINC001177621731 1008685812 /nfs/dbraw/zinc/68/58/12/1008685812.db2.gz GINWVXKEAMXBHD-GOSISDBHSA-N 1 2 352.394 2.713 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)c1cncnc1 ZINC001095343048 1008778943 /nfs/dbraw/zinc/77/89/43/1008778943.db2.gz JZPABHAVUYOTBG-QYZOEREBSA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)c1cncnc1 ZINC001095343048 1008778957 /nfs/dbraw/zinc/77/89/57/1008778957.db2.gz JZPABHAVUYOTBG-QYZOEREBSA-N 1 2 366.852 2.517 20 30 FFEDLO N#Cc1ccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c(OC(F)(F)F)c1 ZINC001178116142 1008862886 /nfs/dbraw/zinc/86/28/86/1008862886.db2.gz JTDBRBUASSMNKA-LLVKDONJSA-N 1 2 350.300 2.854 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3ccc(CC#N)cc3)C2)c1 ZINC000826565874 1009142770 /nfs/dbraw/zinc/14/27/70/1009142770.db2.gz ZKDAVEVZOLBMAS-NRFANRHFSA-N 1 2 363.461 2.692 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3ccc(CC#N)cc3)C2)c1 ZINC000826565874 1009142778 /nfs/dbraw/zinc/14/27/78/1009142778.db2.gz ZKDAVEVZOLBMAS-NRFANRHFSA-N 1 2 363.461 2.692 20 30 FFEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000823628663 1009145438 /nfs/dbraw/zinc/14/54/38/1009145438.db2.gz YBBHQEAIVSGGNJ-ZBFHGGJFSA-N 1 2 362.474 2.564 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CCC(F)(F)F ZINC001206753148 1032408982 /nfs/dbraw/zinc/40/89/82/1032408982.db2.gz QFXHODLPJMRPTQ-IAQYHMDHSA-N 1 2 357.351 2.976 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CCC(F)(F)F ZINC001206753148 1032408989 /nfs/dbraw/zinc/40/89/89/1032408989.db2.gz QFXHODLPJMRPTQ-IAQYHMDHSA-N 1 2 357.351 2.976 20 30 FFEDLO COc1ccc(C#CC(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)cc1 ZINC001274212241 1009606821 /nfs/dbraw/zinc/60/68/21/1009606821.db2.gz QSUNQRRPGRHIFL-UHFFFAOYSA-N 1 2 366.383 2.676 20 30 FFEDLO COc1ccc(C#CC(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)cc1 ZINC001274212241 1009606828 /nfs/dbraw/zinc/60/68/28/1009606828.db2.gz QSUNQRRPGRHIFL-UHFFFAOYSA-N 1 2 366.383 2.676 20 30 FFEDLO N#Cc1ccccc1N1CCC(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC001180506389 1009729481 /nfs/dbraw/zinc/72/94/81/1009729481.db2.gz CJPKAGABIPADOL-UHFFFAOYSA-N 1 2 363.465 2.904 20 30 FFEDLO N#Cc1ccccc1N1CCC(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC001180506389 1009729491 /nfs/dbraw/zinc/72/94/91/1009729491.db2.gz CJPKAGABIPADOL-UHFFFAOYSA-N 1 2 363.465 2.904 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152248094 1009771096 /nfs/dbraw/zinc/77/10/96/1009771096.db2.gz WXRWLMHVGSYVTK-BBRMVZONSA-N 1 2 364.453 2.760 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC001180723408 1009825406 /nfs/dbraw/zinc/82/54/06/1009825406.db2.gz IIEXUZZMYZVYNZ-QAQDUYKDSA-N 1 2 365.518 2.790 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2n[nH]nc2-c2ccccc2)[C@H](C)C1 ZINC001093231262 1010176004 /nfs/dbraw/zinc/17/60/04/1010176004.db2.gz HZVXVYVVFVPAJN-IUODEOHRSA-N 1 2 359.861 2.522 20 30 FFEDLO COC[C@@H](C)[N@H+](Cn1nc(CC#N)n(C)c1=S)[C@H]1CCc2ccccc21 ZINC000863338919 1010186372 /nfs/dbraw/zinc/18/63/72/1010186372.db2.gz XVUGMZUSQIHKKO-PBHICJAKSA-N 1 2 371.510 2.999 20 30 FFEDLO COC[C@@H](C)[N@@H+](Cn1nc(CC#N)n(C)c1=S)[C@H]1CCc2ccccc21 ZINC000863338919 1010186377 /nfs/dbraw/zinc/18/63/77/1010186377.db2.gz XVUGMZUSQIHKKO-PBHICJAKSA-N 1 2 371.510 2.999 20 30 FFEDLO C=CC[C@H]1N(C(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)CCCC1(C)C ZINC000773946784 1010260749 /nfs/dbraw/zinc/26/07/49/1010260749.db2.gz YSWKDOUUVXPJHH-MRXNPFEDSA-N 1 2 358.486 2.988 20 30 FFEDLO C[C@H](ON=C(N)c1ccc(C[NH+]2CCOCC2)cc1)c1cccc(C#N)c1 ZINC000794720684 1010567285 /nfs/dbraw/zinc/56/72/85/1010567285.db2.gz NELSMAHSEZIOIQ-INIZCTEOSA-N 1 2 364.449 2.789 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnsn1)CC2 ZINC001094433498 1011118427 /nfs/dbraw/zinc/11/84/27/1011118427.db2.gz NXVILUVYXFOKON-IEBWSBKVSA-N 1 2 371.510 2.700 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnsn1)CC2 ZINC001094433498 1011118433 /nfs/dbraw/zinc/11/84/33/1011118433.db2.gz NXVILUVYXFOKON-IEBWSBKVSA-N 1 2 371.510 2.700 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000121984107 1011152441 /nfs/dbraw/zinc/15/24/41/1011152441.db2.gz GHIWUYDIJRTIMH-INIZCTEOSA-N 1 2 361.461 2.545 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001110863300 1011267870 /nfs/dbraw/zinc/26/78/70/1011267870.db2.gz CRVBCLJONVPHQS-OAFZBRQQSA-N 1 2 363.527 2.902 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001110863300 1011267880 /nfs/dbraw/zinc/26/78/80/1011267880.db2.gz CRVBCLJONVPHQS-OAFZBRQQSA-N 1 2 363.527 2.902 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1)C1CCC1 ZINC001110868689 1011285490 /nfs/dbraw/zinc/28/54/90/1011285490.db2.gz OPTKIVCCOACFIX-LMCOJAPRSA-N 1 2 371.456 2.734 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1)C1CCC1 ZINC001110868689 1011285499 /nfs/dbraw/zinc/28/54/99/1011285499.db2.gz OPTKIVCCOACFIX-LMCOJAPRSA-N 1 2 371.456 2.734 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)[C@@H]4CC45CCCCC5)C3)C2)cc1C#N ZINC001274359100 1011397115 /nfs/dbraw/zinc/39/71/15/1011397115.db2.gz XZWRNSZGHCUVPJ-SFHVURJKSA-N 1 2 352.482 2.511 20 30 FFEDLO C=CC[C@@H]1CCC[N@@H+](CC(=O)N=c2cc[nH]n2Cc2cccc(C)c2)C1 ZINC001171840689 1011498916 /nfs/dbraw/zinc/49/89/16/1011498916.db2.gz GPYWQTUETGPZGF-GOSISDBHSA-N 1 2 352.482 2.888 20 30 FFEDLO C=CC[C@@H]1CCC[N@H+](CC(=O)N=c2cc[nH]n2Cc2cccc(C)c2)C1 ZINC001171840689 1011498928 /nfs/dbraw/zinc/49/89/28/1011498928.db2.gz GPYWQTUETGPZGF-GOSISDBHSA-N 1 2 352.482 2.888 20 30 FFEDLO C[NH+]1CCN(c2ccccc2-c2noc(-c3cccc(C#N)c3O)n2)CC1 ZINC001216980137 1032577951 /nfs/dbraw/zinc/57/79/51/1032577951.db2.gz RAERETXPXKHHJP-UHFFFAOYSA-N 1 2 361.405 2.733 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cc(C(F)(F)F)ccc2OC)C1=O ZINC001275047891 1011858283 /nfs/dbraw/zinc/85/82/83/1011858283.db2.gz RSEBCZFUJHOXSU-GOSISDBHSA-N 1 2 366.383 2.914 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(C(F)(F)F)ccc2OC)C1=O ZINC001275047891 1011858299 /nfs/dbraw/zinc/85/82/99/1011858299.db2.gz RSEBCZFUJHOXSU-GOSISDBHSA-N 1 2 366.383 2.914 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COc3cc(F)ccc3C1)C2 ZINC001095413449 1012078892 /nfs/dbraw/zinc/07/88/92/1012078892.db2.gz ZQVXBEZSHFGZMK-SIXLDLHFSA-N 1 2 364.848 2.851 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COc3cc(F)ccc3C1)C2 ZINC001095413449 1012078903 /nfs/dbraw/zinc/07/89/03/1012078903.db2.gz ZQVXBEZSHFGZMK-SIXLDLHFSA-N 1 2 364.848 2.851 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H](N2CC[NH+](Cc3ccco3)CC2)C[C@H]1C#N ZINC001172986182 1012154522 /nfs/dbraw/zinc/15/45/22/1012154522.db2.gz UWIBBKQQTHAQBO-SJORKVTESA-N 1 2 374.485 2.689 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(Cc3ccco3)CC2)C[C@H]1C#N ZINC001172986182 1012154530 /nfs/dbraw/zinc/15/45/30/1012154530.db2.gz UWIBBKQQTHAQBO-SJORKVTESA-N 1 2 374.485 2.689 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)C[C@H]1C#N ZINC001172989522 1012156921 /nfs/dbraw/zinc/15/69/21/1012156921.db2.gz PGUCHEZSTHBTDO-SOUVJXGZSA-N 1 2 363.483 2.552 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)C[C@H]1C#N ZINC001172989522 1012156927 /nfs/dbraw/zinc/15/69/27/1012156927.db2.gz PGUCHEZSTHBTDO-SOUVJXGZSA-N 1 2 363.483 2.552 20 30 FFEDLO COc1cccc([C@@H]2CN(C(=O)[C@@H](C#N)CCc3ccccc3)CC[NH2+]2)c1 ZINC000870151647 1012209435 /nfs/dbraw/zinc/20/94/35/1012209435.db2.gz GDZVHZGRNOJOID-CTNGQTDRSA-N 1 2 363.461 2.941 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCCCCCNc1ccc(C#N)cn1 ZINC001095000479 1012220595 /nfs/dbraw/zinc/22/05/95/1012220595.db2.gz KXUALFOUUZOIOS-IAGOWNOFSA-N 1 2 366.469 2.579 20 30 FFEDLO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001275328728 1012308139 /nfs/dbraw/zinc/30/81/39/1012308139.db2.gz BILJLRVWQDBVJM-VLIAUNLRSA-N 1 2 357.429 2.632 20 30 FFEDLO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001275328728 1012308146 /nfs/dbraw/zinc/30/81/46/1012308146.db2.gz BILJLRVWQDBVJM-VLIAUNLRSA-N 1 2 357.429 2.632 20 30 FFEDLO C=CCCCCCCC[N@H+]1C[C@]2(F)CN(COCCOC)C(=O)[C@]2(F)C1 ZINC001275330341 1012318666 /nfs/dbraw/zinc/31/86/66/1012318666.db2.gz LZBVDPIHSRKXNS-RBUKOAKNSA-N 1 2 374.472 2.708 20 30 FFEDLO C=CCCCCCCC[N@@H+]1C[C@]2(F)CN(COCCOC)C(=O)[C@]2(F)C1 ZINC001275330341 1012318673 /nfs/dbraw/zinc/31/86/73/1012318673.db2.gz LZBVDPIHSRKXNS-RBUKOAKNSA-N 1 2 374.472 2.708 20 30 FFEDLO N#CCCCN1C[C@@]2(CC[N@@H+](Cc3cc(Cl)ccc3F)C2)OCC1=O ZINC001275352101 1012354075 /nfs/dbraw/zinc/35/40/75/1012354075.db2.gz ZVUIXXPMQJAIOX-SFHVURJKSA-N 1 2 365.836 2.586 20 30 FFEDLO N#CCCCN1C[C@@]2(CC[N@H+](Cc3cc(Cl)ccc3F)C2)OCC1=O ZINC001275352101 1012354091 /nfs/dbraw/zinc/35/40/91/1012354091.db2.gz ZVUIXXPMQJAIOX-SFHVURJKSA-N 1 2 365.836 2.586 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccn2)C3)c(F)c1 ZINC001095097693 1012412282 /nfs/dbraw/zinc/41/22/82/1012412282.db2.gz XDYVQGLFIGBDBX-MNEFBYGVSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccn2)C3)c(F)c1 ZINC001095097693 1012412289 /nfs/dbraw/zinc/41/22/89/1012412289.db2.gz XDYVQGLFIGBDBX-MNEFBYGVSA-N 1 2 350.397 2.628 20 30 FFEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)c(O)c(F)c1 ZINC001275427990 1012448169 /nfs/dbraw/zinc/44/81/69/1012448169.db2.gz CINCXPWPFMEFBG-IBGZPJMESA-N 1 2 363.408 2.931 20 30 FFEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)c(O)c(F)c1 ZINC001275427990 1012448184 /nfs/dbraw/zinc/44/81/84/1012448184.db2.gz CINCXPWPFMEFBG-IBGZPJMESA-N 1 2 363.408 2.931 20 30 FFEDLO Cc1cccn2cc(C[N@@H+]3CCC[C@]34CCN(CCCC#N)C4=O)nc12 ZINC001275455831 1012483075 /nfs/dbraw/zinc/48/30/75/1012483075.db2.gz QIWFYWQHTCWIEZ-HXUWFJFHSA-N 1 2 351.454 2.513 20 30 FFEDLO Cc1cccn2cc(C[N@H+]3CCC[C@]34CCN(CCCC#N)C4=O)nc12 ZINC001275455831 1012483088 /nfs/dbraw/zinc/48/30/88/1012483088.db2.gz QIWFYWQHTCWIEZ-HXUWFJFHSA-N 1 2 351.454 2.513 20 30 FFEDLO Cc1ncsc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095204054 1012687484 /nfs/dbraw/zinc/68/74/84/1012687484.db2.gz IEQYHCNYNWUNBJ-PVAVHDDUSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1ncsc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095204054 1012687487 /nfs/dbraw/zinc/68/74/87/1012687487.db2.gz IEQYHCNYNWUNBJ-PVAVHDDUSA-N 1 2 370.453 2.998 20 30 FFEDLO C#CCN1C(=O)COCC12C[NH+](Cc1ccc(-c3cccs3)s1)C2 ZINC001275615706 1012707837 /nfs/dbraw/zinc/70/78/37/1012707837.db2.gz VJLNCCIMJNCKNL-UHFFFAOYSA-N 1 2 358.488 2.523 20 30 FFEDLO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001275624110 1012720980 /nfs/dbraw/zinc/72/09/80/1012720980.db2.gz YQPCOCKQLWACOD-XOBRGWDASA-N 1 2 357.429 2.632 20 30 FFEDLO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001275624110 1012720993 /nfs/dbraw/zinc/72/09/93/1012720993.db2.gz YQPCOCKQLWACOD-XOBRGWDASA-N 1 2 357.429 2.632 20 30 FFEDLO N#CCCCN1C[C@@]2(F)C[N@@H+](CC3(c4ccccc4)CC3)C[C@@]2(F)C1=O ZINC001275799007 1013015608 /nfs/dbraw/zinc/01/56/08/1013015608.db2.gz HSPNGOMDLBQCRS-VQTJNVASSA-N 1 2 359.420 2.596 20 30 FFEDLO N#CCCCN1C[C@@]2(F)C[N@H+](CC3(c4ccccc4)CC3)C[C@@]2(F)C1=O ZINC001275799007 1013015625 /nfs/dbraw/zinc/01/56/25/1013015625.db2.gz HSPNGOMDLBQCRS-VQTJNVASSA-N 1 2 359.420 2.596 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001055234419 1017189079 /nfs/dbraw/zinc/18/90/79/1017189079.db2.gz WEJVVXNNCCACGX-SQNIBIBYSA-N 1 2 365.481 2.875 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC(Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001052115557 1017324591 /nfs/dbraw/zinc/32/45/91/1017324591.db2.gz PYZKNOSBUHXDGF-HVTNRZIGSA-N 1 2 370.497 2.950 20 30 FFEDLO Cc1noc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)c1C ZINC001097296856 1017329357 /nfs/dbraw/zinc/32/93/57/1017329357.db2.gz STAXSBRGAOIAEV-QRVBRYPASA-N 1 2 367.424 2.817 20 30 FFEDLO Cc1noc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)c1C ZINC001097296856 1017329369 /nfs/dbraw/zinc/32/93/69/1017329369.db2.gz STAXSBRGAOIAEV-QRVBRYPASA-N 1 2 367.424 2.817 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3cc(C)sc3n1)C2 ZINC001097430640 1017479756 /nfs/dbraw/zinc/47/97/56/1017479756.db2.gz MRJLBMOLPPLVBQ-KFWWJZLASA-N 1 2 364.902 2.721 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3cc(C)sc3n1)C2 ZINC001097430640 1017479760 /nfs/dbraw/zinc/47/97/60/1017479760.db2.gz MRJLBMOLPPLVBQ-KFWWJZLASA-N 1 2 364.902 2.721 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COc3ccc(F)cc3C1)C2 ZINC001097534148 1017576655 /nfs/dbraw/zinc/57/66/55/1017576655.db2.gz HIIUIJJNEFJHMT-SVGFKBNWSA-N 1 2 364.848 2.851 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COc3ccc(F)cc3C1)C2 ZINC001097534148 1017576666 /nfs/dbraw/zinc/57/66/66/1017576666.db2.gz HIIUIJJNEFJHMT-SVGFKBNWSA-N 1 2 364.848 2.851 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(CC)CCCCC)[C@@H]2C1 ZINC001222060026 1032718090 /nfs/dbraw/zinc/71/80/90/1032718090.db2.gz HBGWPXZUTXVAQE-OPYAIIAOSA-N 1 2 363.546 2.818 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(CC)CCCCC)[C@@H]2C1 ZINC001222060026 1032718103 /nfs/dbraw/zinc/71/81/03/1032718103.db2.gz HBGWPXZUTXVAQE-OPYAIIAOSA-N 1 2 363.546 2.818 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cnc2n1CCCC2 ZINC001097706043 1017822501 /nfs/dbraw/zinc/82/25/01/1017822501.db2.gz ZRPUIOOECPEAPB-AQNXPRMDSA-N 1 2 374.488 2.606 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cnc2n1CCCC2 ZINC001097706043 1017822516 /nfs/dbraw/zinc/82/25/16/1017822516.db2.gz ZRPUIOOECPEAPB-AQNXPRMDSA-N 1 2 374.488 2.606 20 30 FFEDLO Cc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001097751678 1017907711 /nfs/dbraw/zinc/90/77/11/1017907711.db2.gz DCPONEORZLONHT-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001097751678 1017907720 /nfs/dbraw/zinc/90/77/20/1017907720.db2.gz DCPONEORZLONHT-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(O)ccc3Cl)C[C@H]21 ZINC001222072818 1032736893 /nfs/dbraw/zinc/73/68/93/1032736893.db2.gz XWJLLVICBRGWBE-PMUMKWKESA-N 1 2 364.873 2.669 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(O)ccc3Cl)C[C@H]21 ZINC001222072818 1032736911 /nfs/dbraw/zinc/73/69/11/1032736911.db2.gz XWJLLVICBRGWBE-PMUMKWKESA-N 1 2 364.873 2.669 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C)nn2)C1 ZINC001052750521 1018082739 /nfs/dbraw/zinc/08/27/39/1018082739.db2.gz STWBMIAYEYVYSP-JXXFODFXSA-N 1 2 368.485 2.527 20 30 FFEDLO CC[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1cccc(C#N)c1O ZINC000926625896 1018185747 /nfs/dbraw/zinc/18/57/47/1018185747.db2.gz FBLDWBMWBMKQAR-GOEBONIOSA-N 1 2 372.446 2.539 20 30 FFEDLO CCC[C@@H](C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001217493803 1032756947 /nfs/dbraw/zinc/75/69/47/1032756947.db2.gz OEILCQGUTGGDFY-FHLIZLRMSA-N 1 2 361.511 2.858 20 30 FFEDLO CCC[C@@H](C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001217493803 1032756960 /nfs/dbraw/zinc/75/69/60/1032756960.db2.gz OEILCQGUTGGDFY-FHLIZLRMSA-N 1 2 361.511 2.858 20 30 FFEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000827574915 1018499066 /nfs/dbraw/zinc/49/90/66/1018499066.db2.gz IZIFNPNEWWOYII-JKSUJKDBSA-N 1 2 359.470 2.574 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cnc(C)cn4)C[C@H]32)CCCC1 ZINC001222152289 1032789681 /nfs/dbraw/zinc/78/96/81/1032789681.db2.gz RUVQKCFQYACRSA-IEBWSBKVSA-N 1 2 354.498 2.954 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cnc(C)cn4)C[C@H]32)CCCC1 ZINC001222152289 1032789700 /nfs/dbraw/zinc/78/97/00/1032789700.db2.gz RUVQKCFQYACRSA-IEBWSBKVSA-N 1 2 354.498 2.954 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000801580217 1019138765 /nfs/dbraw/zinc/13/87/65/1019138765.db2.gz AXCPTULRNZUWEM-UNMCSNQZSA-N 1 2 364.445 2.798 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000801580217 1019138773 /nfs/dbraw/zinc/13/87/73/1019138773.db2.gz AXCPTULRNZUWEM-UNMCSNQZSA-N 1 2 364.445 2.798 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001042751031 1019139233 /nfs/dbraw/zinc/13/92/33/1019139233.db2.gz QDLXSALGXWXACA-PLMTUMEDSA-N 1 2 365.477 2.834 20 30 FFEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)CCOCC1 ZINC001096180144 1019145199 /nfs/dbraw/zinc/14/51/99/1019145199.db2.gz YZRBQTWAPGYOPK-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)CCOCC1 ZINC001096180144 1019145206 /nfs/dbraw/zinc/14/52/06/1019145206.db2.gz YZRBQTWAPGYOPK-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@]34CCO[C@@H]3CCCC4)CC2)cc1 ZINC000929362670 1019388464 /nfs/dbraw/zinc/38/84/64/1019388464.db2.gz IJSOPRIVHIUXIE-CTNGQTDRSA-N 1 2 353.466 2.552 20 30 FFEDLO C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1Nc1ncc(C#N)cc1F ZINC001043606974 1019536379 /nfs/dbraw/zinc/53/63/79/1019536379.db2.gz SFIWVAQWWWAWMZ-PIGZYNQJSA-N 1 2 364.384 2.541 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]1C1CCC1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001044030428 1019632099 /nfs/dbraw/zinc/63/20/99/1019632099.db2.gz CIFFMVFLKUPGJN-VQTJNVASSA-N 1 2 353.466 2.668 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001095972134 1019657695 /nfs/dbraw/zinc/65/76/95/1019657695.db2.gz GLEIYCGFCAKEPI-SJORKVTESA-N 1 2 360.502 2.832 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)cc2F)c1 ZINC001095988189 1019698322 /nfs/dbraw/zinc/69/83/22/1019698322.db2.gz YJVUBZAQXOEQIX-HOJAQTOUSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)cc2F)c1 ZINC001095988189 1019698330 /nfs/dbraw/zinc/69/83/30/1019698330.db2.gz YJVUBZAQXOEQIX-HOJAQTOUSA-N 1 2 367.399 2.876 20 30 FFEDLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](CNc2cccc(F)c2C#N)C1 ZINC001048187193 1019977399 /nfs/dbraw/zinc/97/73/99/1019977399.db2.gz LRROAUKRWWQYQU-CABCVRRESA-N 1 2 355.417 2.633 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC(C)(C)C2CCCCC2)C[C@H]1NCC#N ZINC001070709484 1020080622 /nfs/dbraw/zinc/08/06/22/1020080622.db2.gz JEWQXGBWQVTMAH-QZTJIDSGSA-N 1 2 371.529 2.824 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c([nH]1)CCC3)C2 ZINC001096321150 1020082159 /nfs/dbraw/zinc/08/21/59/1020082159.db2.gz BRWFBRIVRJDUTE-LMNJBCLMSA-N 1 2 360.461 2.910 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c([nH]1)CCC3)C2 ZINC001096321150 1020082170 /nfs/dbraw/zinc/08/21/70/1020082170.db2.gz BRWFBRIVRJDUTE-LMNJBCLMSA-N 1 2 360.461 2.910 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1C#N ZINC001045851795 1020238115 /nfs/dbraw/zinc/23/81/15/1020238115.db2.gz TXAQOGOTKKKKKQ-FCDRMGDPSA-N 1 2 371.456 2.688 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1C#N ZINC001045851795 1020238126 /nfs/dbraw/zinc/23/81/26/1020238126.db2.gz TXAQOGOTKKKKKQ-FCDRMGDPSA-N 1 2 371.456 2.688 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)no1 ZINC001096378962 1020286781 /nfs/dbraw/zinc/28/67/81/1020286781.db2.gz TXUIVKWHZLLWPQ-PJQXDXOGSA-N 1 2 356.451 2.705 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)no1 ZINC001096378962 1020286787 /nfs/dbraw/zinc/28/67/87/1020286787.db2.gz TXUIVKWHZLLWPQ-PJQXDXOGSA-N 1 2 356.451 2.705 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000726593597 1020491457 /nfs/dbraw/zinc/49/14/57/1020491457.db2.gz IQWOFBKPYKCODH-UHFFFAOYSA-N 1 2 363.343 2.569 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)/C=C(/C)C[NH+]2CCOCC2)cc1 ZINC000900555415 1020493436 /nfs/dbraw/zinc/49/34/36/1020493436.db2.gz XDNWBAAXKYJQMT-ICFOKQHNSA-N 1 2 357.454 2.610 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ncc(C)o1 ZINC001096434899 1020576278 /nfs/dbraw/zinc/57/62/78/1020576278.db2.gz OEIHSMGQNIKOCP-LDTOTXGLSA-N 1 2 363.461 2.990 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ncc(C)o1 ZINC001096434899 1020576284 /nfs/dbraw/zinc/57/62/84/1020576284.db2.gz OEIHSMGQNIKOCP-LDTOTXGLSA-N 1 2 363.461 2.990 20 30 FFEDLO CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)cn1 ZINC001096089523 1020580270 /nfs/dbraw/zinc/58/02/70/1020580270.db2.gz BVGZVCALVLEBRC-HKBOAZHASA-N 1 2 362.477 2.680 20 30 FFEDLO CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)cn1 ZINC001096089523 1020580273 /nfs/dbraw/zinc/58/02/73/1020580273.db2.gz BVGZVCALVLEBRC-HKBOAZHASA-N 1 2 362.477 2.680 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC001046327284 1020591169 /nfs/dbraw/zinc/59/11/69/1020591169.db2.gz JEVNBIAWWJUWPZ-GUXCAODWSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2ncc(C(C)C)o2)C1 ZINC001046327284 1020591174 /nfs/dbraw/zinc/59/11/74/1020591174.db2.gz JEVNBIAWWJUWPZ-GUXCAODWSA-N 1 2 361.486 2.860 20 30 FFEDLO Cc1nc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)no1 ZINC000931948454 1020640877 /nfs/dbraw/zinc/64/08/77/1020640877.db2.gz JLGACJPTHMTPLA-DZGCQCFKSA-N 1 2 371.416 2.642 20 30 FFEDLO Cc1nc([C@@H]2CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)no1 ZINC000931948454 1020640882 /nfs/dbraw/zinc/64/08/82/1020640882.db2.gz JLGACJPTHMTPLA-DZGCQCFKSA-N 1 2 371.416 2.642 20 30 FFEDLO COC(=O)c1cccc2c1OCC[N@H+](Cc1ccc(OCC#N)cc1)C2 ZINC000932657943 1020864903 /nfs/dbraw/zinc/86/49/03/1020864903.db2.gz ARGQDBHUXVHLMN-UHFFFAOYSA-N 1 2 352.390 2.770 20 30 FFEDLO COC(=O)c1cccc2c1OCC[N@@H+](Cc1ccc(OCC#N)cc1)C2 ZINC000932657943 1020864911 /nfs/dbraw/zinc/86/49/11/1020864911.db2.gz ARGQDBHUXVHLMN-UHFFFAOYSA-N 1 2 352.390 2.770 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000933631421 1021055608 /nfs/dbraw/zinc/05/56/08/1021055608.db2.gz ZMKJWICLNJAVTC-OALUTQOASA-N 1 2 353.378 2.573 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000933631421 1021055614 /nfs/dbraw/zinc/05/56/14/1021055614.db2.gz ZMKJWICLNJAVTC-OALUTQOASA-N 1 2 353.378 2.573 20 30 FFEDLO COc1ccc(-c2nnc(C[NH+]3CCC4(CC3)CC(=O)C=CO4)o2)cc1 ZINC000933653915 1021061028 /nfs/dbraw/zinc/06/10/28/1021061028.db2.gz LDTHJVDIYCRPPN-UHFFFAOYSA-N 1 2 355.394 2.583 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOc1cccc(OC)c1)C2 ZINC001111463197 1021477135 /nfs/dbraw/zinc/47/71/35/1021477135.db2.gz DARDQWOTTXOCQM-OLMNPRSZSA-N 1 2 364.873 2.938 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOc1cccc(OC)c1)C2 ZINC001111463197 1021477143 /nfs/dbraw/zinc/47/71/43/1021477143.db2.gz DARDQWOTTXOCQM-OLMNPRSZSA-N 1 2 364.873 2.938 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ncccc1F)C2 ZINC001095924863 1021641972 /nfs/dbraw/zinc/64/19/72/1021641972.db2.gz DYMCBZGRHJDSNA-UXPWSPDFSA-N 1 2 364.424 2.557 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ncccc1F)C2 ZINC001095924863 1021641977 /nfs/dbraw/zinc/64/19/77/1021641977.db2.gz DYMCBZGRHJDSNA-UXPWSPDFSA-N 1 2 364.424 2.557 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1coc(C3CC3)n1)C2 ZINC001099037081 1021644528 /nfs/dbraw/zinc/64/45/28/1021644528.db2.gz DFFSAOWIUAJALK-DKXUYOFUSA-N 1 2 371.481 2.614 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC001099037081 1021644535 /nfs/dbraw/zinc/64/45/35/1021644535.db2.gz DFFSAOWIUAJALK-DKXUYOFUSA-N 1 2 371.481 2.614 20 30 FFEDLO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000935923948 1021936111 /nfs/dbraw/zinc/93/61/11/1021936111.db2.gz HPYWPVLRXWWCRV-GOEBONIOSA-N 1 2 362.474 2.564 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2nsc3ccccc23)C1 ZINC001015828349 1021980297 /nfs/dbraw/zinc/98/02/97/1021980297.db2.gz FDQICDSQQRLJBA-QOKNQOGYSA-N 1 2 371.506 2.968 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nsc3ccccc23)C1 ZINC001015828349 1021980303 /nfs/dbraw/zinc/98/03/03/1021980303.db2.gz FDQICDSQQRLJBA-QOKNQOGYSA-N 1 2 371.506 2.968 20 30 FFEDLO CC(C)c1ocnc1C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C(F)(F)F ZINC001099249837 1022163673 /nfs/dbraw/zinc/16/36/73/1022163673.db2.gz OHRBQFOQSVZOAN-UKRRQHHQSA-N 1 2 369.387 2.690 20 30 FFEDLO CCc1nc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C(F)(F)F)cs1 ZINC001099249829 1022163684 /nfs/dbraw/zinc/16/36/84/1022163684.db2.gz OCDDLPZQTNWUGM-ZIAGYGMSSA-N 1 2 371.428 2.598 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001017628918 1022271259 /nfs/dbraw/zinc/27/12/59/1022271259.db2.gz UAHMSTNHAWNVJQ-MHTWAQMVSA-N 1 2 352.478 2.853 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001017628918 1022271263 /nfs/dbraw/zinc/27/12/63/1022271263.db2.gz UAHMSTNHAWNVJQ-MHTWAQMVSA-N 1 2 352.478 2.853 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C(C)C)no3)[C@H]2C1 ZINC001222547645 1033044393 /nfs/dbraw/zinc/04/43/93/1033044393.db2.gz TXQAODQRPDPCQC-SJORKVTESA-N 1 2 358.486 2.809 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C(C)C)no3)[C@H]2C1 ZINC001222547645 1033044404 /nfs/dbraw/zinc/04/44/04/1033044404.db2.gz TXQAODQRPDPCQC-SJORKVTESA-N 1 2 358.486 2.809 20 30 FFEDLO N#Cc1ccc(OCCC[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000159326760 1022653330 /nfs/dbraw/zinc/65/33/30/1022653330.db2.gz KGYUSBHXIRAFFN-HKUYNNGSSA-N 1 2 356.422 2.745 20 30 FFEDLO N#Cc1ccc(OCCC[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000159326760 1022653336 /nfs/dbraw/zinc/65/33/36/1022653336.db2.gz KGYUSBHXIRAFFN-HKUYNNGSSA-N 1 2 356.422 2.745 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)O1 ZINC001039925683 1022790209 /nfs/dbraw/zinc/79/02/09/1022790209.db2.gz NSHXFZHWRXBSQS-GEALJGNFSA-N 1 2 353.466 2.691 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)O1 ZINC001039925683 1022790219 /nfs/dbraw/zinc/79/02/19/1022790219.db2.gz NSHXFZHWRXBSQS-GEALJGNFSA-N 1 2 353.466 2.691 20 30 FFEDLO C#Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000048910546 1022831507 /nfs/dbraw/zinc/83/15/07/1022831507.db2.gz ONATUECGXGDQEJ-GOSISDBHSA-N 1 2 369.852 2.679 20 30 FFEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000780318203 1022835732 /nfs/dbraw/zinc/83/57/32/1022835732.db2.gz FUILISZPJMRDFV-WOJBJXKFSA-N 1 2 357.404 2.881 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC001122441468 1023270346 /nfs/dbraw/zinc/27/03/46/1023270346.db2.gz SKWDFHSRZFRLSH-NXOAAHMSSA-N 1 2 359.518 2.607 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC001122441468 1023270350 /nfs/dbraw/zinc/27/03/50/1023270350.db2.gz SKWDFHSRZFRLSH-NXOAAHMSSA-N 1 2 359.518 2.607 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)C[C@@H]1CC1(C)C ZINC001122479262 1023294803 /nfs/dbraw/zinc/29/48/03/1023294803.db2.gz RPJYDSYYWVSBGE-KRWDZBQOSA-N 1 2 361.534 2.541 20 30 FFEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000189733199 1023331339 /nfs/dbraw/zinc/33/13/39/1023331339.db2.gz SYTHBQTYPCEAGV-INIZCTEOSA-N 1 2 359.351 2.847 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[C@@H]2C#N)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001122609140 1023366905 /nfs/dbraw/zinc/36/69/05/1023366905.db2.gz HOCTWZSBGITLDH-CVEARBPZSA-N 1 2 363.469 2.505 20 30 FFEDLO C=CCN(c1nnc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC(=C)C)C1CC1 ZINC001122627511 1023377759 /nfs/dbraw/zinc/37/77/59/1023377759.db2.gz XPRBSZMTQOCHJO-MSOLQXFVSA-N 1 2 357.502 2.935 20 30 FFEDLO C=CCN(c1nnc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC(=C)C)C1CC1 ZINC001122627511 1023377767 /nfs/dbraw/zinc/37/77/67/1023377767.db2.gz XPRBSZMTQOCHJO-MSOLQXFVSA-N 1 2 357.502 2.935 20 30 FFEDLO C[C@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000753829794 1023387355 /nfs/dbraw/zinc/38/73/55/1023387355.db2.gz LBYZQTRPKOEDIY-VWPFQQQWSA-N 1 2 359.470 2.588 20 30 FFEDLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753934777 1023402872 /nfs/dbraw/zinc/40/28/72/1023402872.db2.gz KLUPFRXPAVUTEC-IAGOWNOFSA-N 1 2 372.423 2.961 20 30 FFEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC000948919263 1023410067 /nfs/dbraw/zinc/41/00/67/1023410067.db2.gz CNHKHYRWRONPKU-TYPHKJRUSA-N 1 2 354.494 2.786 20 30 FFEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC000948919263 1023410071 /nfs/dbraw/zinc/41/00/71/1023410071.db2.gz CNHKHYRWRONPKU-TYPHKJRUSA-N 1 2 354.494 2.786 20 30 FFEDLO N#CC[C@@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2C[C@@H]2CCCO2)C1 ZINC001122835142 1023503552 /nfs/dbraw/zinc/50/35/52/1023503552.db2.gz JPUKLDBCKQAXNJ-ROUUACIJSA-N 1 2 372.517 2.573 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2CCC[C@@H](C#N)C2)n1Cc1cccs1 ZINC001123006379 1023591890 /nfs/dbraw/zinc/59/18/90/1023591890.db2.gz IXOUIFXLASYDAM-GOEBONIOSA-N 1 2 356.499 2.895 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2CCC[C@@H](C#N)C2)n1Cc1cccs1 ZINC001123006379 1023591896 /nfs/dbraw/zinc/59/18/96/1023591896.db2.gz IXOUIFXLASYDAM-GOEBONIOSA-N 1 2 356.499 2.895 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2nnc(-c3ccc(C)cc3)o2)cc1OC ZINC000077374880 1023597718 /nfs/dbraw/zinc/59/77/18/1023597718.db2.gz UMZABTWYOKBCMW-UHFFFAOYSA-N 1 2 368.393 2.899 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1C[C@@H]1CCOC1 ZINC001123103211 1023636142 /nfs/dbraw/zinc/63/61/42/1023636142.db2.gz WQLZVTKWTZPGBV-OKZBNKHCSA-N 1 2 370.501 2.605 20 30 FFEDLO N#CCC[NH+]1CCC(c2nnc(N3CCCC3)n2C[C@@H]2CCCCO2)CC1 ZINC001123266771 1023715220 /nfs/dbraw/zinc/71/52/20/1023715220.db2.gz IYABVBFDYFEAFD-SFHVURJKSA-N 1 2 372.517 2.540 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(CCC)Cc1ccc(F)cc1 ZINC001121509000 1023817761 /nfs/dbraw/zinc/81/77/61/1023817761.db2.gz BGLTVMDIMNVSHQ-MSOLQXFVSA-N 1 2 373.476 2.757 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(CCC)Cc1ccc(F)cc1 ZINC001121509000 1023817764 /nfs/dbraw/zinc/81/77/64/1023817764.db2.gz BGLTVMDIMNVSHQ-MSOLQXFVSA-N 1 2 373.476 2.757 20 30 FFEDLO CC(C)=C(C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001218462543 1033168643 /nfs/dbraw/zinc/16/86/43/1033168643.db2.gz OXCIKBATJFPQMK-VQTJNVASSA-N 1 2 371.456 2.855 20 30 FFEDLO CC(C)=C(C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001218462543 1033168648 /nfs/dbraw/zinc/16/86/48/1033168648.db2.gz OXCIKBATJFPQMK-VQTJNVASSA-N 1 2 371.456 2.855 20 30 FFEDLO C#CCOc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 ZINC000758036616 1023910302 /nfs/dbraw/zinc/91/03/02/1023910302.db2.gz SSUDBHNPJOHBQC-AEFFLSMTSA-N 1 2 355.438 2.547 20 30 FFEDLO C=CCn1c(N2Cc3cccc(Cl)c3C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001121710027 1023939249 /nfs/dbraw/zinc/93/92/49/1023939249.db2.gz YBVRZOUDFIZEGI-LIRRHRJNSA-N 1 2 373.888 2.549 20 30 FFEDLO C=CCn1c(N2Cc3cccc(Cl)c3C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121710027 1023939254 /nfs/dbraw/zinc/93/92/54/1023939254.db2.gz YBVRZOUDFIZEGI-LIRRHRJNSA-N 1 2 373.888 2.549 20 30 FFEDLO CC(C)[C@H](CC[N@H+](C)Cn1cccc(C#N)c1=O)NC(=O)OC(C)(C)C ZINC000758228671 1023981820 /nfs/dbraw/zinc/98/18/20/1023981820.db2.gz BPXUASZHLFBSEY-INIZCTEOSA-N 1 2 362.474 2.549 20 30 FFEDLO CC(C)[C@H](CC[N@@H+](C)Cn1cccc(C#N)c1=O)NC(=O)OC(C)(C)C ZINC000758228671 1023981832 /nfs/dbraw/zinc/98/18/32/1023981832.db2.gz BPXUASZHLFBSEY-INIZCTEOSA-N 1 2 362.474 2.549 20 30 FFEDLO Cc1cccnc1[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001123747992 1023989012 /nfs/dbraw/zinc/98/90/12/1023989012.db2.gz ZRQJERKZCOBHBU-KRWDZBQOSA-N 1 2 363.465 2.850 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001121800625 1024039412 /nfs/dbraw/zinc/03/94/12/1024039412.db2.gz JZJAYKPZESZXHG-SFHVURJKSA-N 1 2 374.533 2.642 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3cn(C(C)(C)C)nn3)C[C@@]2(C)C1 ZINC001101203376 1024085676 /nfs/dbraw/zinc/08/56/76/1024085676.db2.gz TWZSFOPCBHJVPM-UTKZUKDTSA-N 1 2 371.529 2.507 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2C[N@H+](Cc3cn(C(C)(C)C)nn3)C[C@@]2(C)C1 ZINC001101203376 1024085693 /nfs/dbraw/zinc/08/56/93/1024085693.db2.gz TWZSFOPCBHJVPM-UTKZUKDTSA-N 1 2 371.529 2.507 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3ccnc3)cc1)C2 ZINC001095827915 1024111800 /nfs/dbraw/zinc/11/18/00/1024111800.db2.gz KGUOFTZMCKIWSM-SQNIBIBYSA-N 1 2 356.857 2.960 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3ccnc3)cc1)C2 ZINC001095827915 1024111806 /nfs/dbraw/zinc/11/18/06/1024111806.db2.gz KGUOFTZMCKIWSM-SQNIBIBYSA-N 1 2 356.857 2.960 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@@H+]([C@H](C)c3nnc(C)[nH]3)C[C@@]2(C)C1 ZINC001101249598 1024187151 /nfs/dbraw/zinc/18/71/51/1024187151.db2.gz CZJBYAJRIQDAQL-ZTQAJYAQSA-N 1 2 357.502 2.723 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@H+]([C@H](C)c3nnc(C)[nH]3)C[C@@]2(C)C1 ZINC001101249598 1024187155 /nfs/dbraw/zinc/18/71/55/1024187155.db2.gz CZJBYAJRIQDAQL-ZTQAJYAQSA-N 1 2 357.502 2.723 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(CC)s3)C[C@@]2(C)C1 ZINC001101336932 1024484555 /nfs/dbraw/zinc/48/45/55/1024484555.db2.gz WABOANHYEHQLBN-KHYOSLBOSA-N 1 2 362.543 2.983 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(CC)s3)C[C@@]2(C)C1 ZINC001101336932 1024484561 /nfs/dbraw/zinc/48/45/61/1024484561.db2.gz WABOANHYEHQLBN-KHYOSLBOSA-N 1 2 362.543 2.983 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CC4)no3)C[C@@]2(C)C1 ZINC001101337886 1024488404 /nfs/dbraw/zinc/48/84/04/1024488404.db2.gz PAAJTXPBSPRINR-KKVAFCGZSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CC4)no3)C[C@@]2(C)C1 ZINC001101337886 1024488409 /nfs/dbraw/zinc/48/84/09/1024488409.db2.gz PAAJTXPBSPRINR-KKVAFCGZSA-N 1 2 358.486 2.830 20 30 FFEDLO COc1ccc([C@H](NC(=O)CO[NH+]=C(N)Cc2ccccc2)C2CC2)cc1 ZINC000193579783 1024575676 /nfs/dbraw/zinc/57/56/76/1024575676.db2.gz BLYMHVKLGWKGSC-OAQYLSRUSA-N 1 2 367.449 2.794 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](Cc2cc(C)ccc2OC)C1 ZINC000951785289 1024701591 /nfs/dbraw/zinc/70/15/91/1024701591.db2.gz HMBXCFBJXFUIFN-MOPGFXCFSA-N 1 2 358.482 2.627 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(OC)ccn2)cc1 ZINC001095854373 1025097355 /nfs/dbraw/zinc/09/73/55/1025097355.db2.gz ZZFJVWIFDVUBOO-GIVPXCGWSA-N 1 2 361.445 2.607 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(OC)ccn2)cc1 ZINC001095854373 1025097363 /nfs/dbraw/zinc/09/73/63/1025097363.db2.gz ZZFJVWIFDVUBOO-GIVPXCGWSA-N 1 2 361.445 2.607 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1nc(C)cc1C)C2 ZINC001111410670 1025229921 /nfs/dbraw/zinc/22/99/21/1025229921.db2.gz QGAPWPGKYOYYAD-VQHPVUNQSA-N 1 2 350.894 2.925 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1nc(C)cc1C)C2 ZINC001111410670 1025229927 /nfs/dbraw/zinc/22/99/27/1025229927.db2.gz QGAPWPGKYOYYAD-VQHPVUNQSA-N 1 2 350.894 2.925 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2F)C1 ZINC001141287331 1025766156 /nfs/dbraw/zinc/76/61/56/1025766156.db2.gz BYXAXMOBQYKSAM-CQSZACIVSA-N 1 2 352.406 2.720 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2F)C1 ZINC001141287331 1025766169 /nfs/dbraw/zinc/76/61/69/1025766169.db2.gz BYXAXMOBQYKSAM-CQSZACIVSA-N 1 2 352.406 2.720 20 30 FFEDLO C#CCC1(C(=O)NC[C@@H]2C[N@@H+](Cc3nncs3)C[C@H]2C)CCCCC1 ZINC001102607759 1026418818 /nfs/dbraw/zinc/41/88/18/1026418818.db2.gz SPZFBLPAKJWATE-HZPDHXFCSA-N 1 2 360.527 2.696 20 30 FFEDLO C#CCC1(C(=O)NC[C@@H]2C[N@H+](Cc3nncs3)C[C@H]2C)CCCCC1 ZINC001102607759 1026418821 /nfs/dbraw/zinc/41/88/21/1026418821.db2.gz SPZFBLPAKJWATE-HZPDHXFCSA-N 1 2 360.527 2.696 20 30 FFEDLO C=C(C)CCC(=O)NCC[C@@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001103040152 1026907448 /nfs/dbraw/zinc/90/74/48/1026907448.db2.gz IPMMNHVMNIDXPX-CHWSQXEVSA-N 1 2 356.417 2.938 20 30 FFEDLO C=C(C)CCC(=O)NCC[C@@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001103040152 1026907452 /nfs/dbraw/zinc/90/74/52/1026907452.db2.gz IPMMNHVMNIDXPX-CHWSQXEVSA-N 1 2 356.417 2.938 20 30 FFEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(CC)c2cccc3ccccc32)nn1 ZINC000640761271 1026929249 /nfs/dbraw/zinc/92/92/49/1026929249.db2.gz YHJKJSVLOWQGNU-UHFFFAOYSA-N 1 2 361.449 2.597 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@H]2CN(CC3CC3)C(=O)[C@H]2C1 ZINC001141809793 1027005828 /nfs/dbraw/zinc/00/58/28/1027005828.db2.gz CJCLVRXUSONDJQ-RDJZCZTQSA-N 1 2 374.282 2.621 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1C[C@H]2CN(CC3CC3)C(=O)[C@H]2C1 ZINC001141809793 1027005832 /nfs/dbraw/zinc/00/58/32/1027005832.db2.gz CJCLVRXUSONDJQ-RDJZCZTQSA-N 1 2 374.282 2.621 20 30 FFEDLO N#Cc1ccc(OCc2ccc(C(=O)N3CC[N@@H+]4C[C@@H](F)C[C@H]4C3)o2)cc1 ZINC001159097036 1027265359 /nfs/dbraw/zinc/26/53/59/1027265359.db2.gz AWZQJFCGIBWTEX-HOTGVXAUSA-N 1 2 369.396 2.598 20 30 FFEDLO N#Cc1ccc(OCc2ccc(C(=O)N3CC[N@H+]4C[C@@H](F)C[C@H]4C3)o2)cc1 ZINC001159097036 1027265372 /nfs/dbraw/zinc/26/53/72/1027265372.db2.gz AWZQJFCGIBWTEX-HOTGVXAUSA-N 1 2 369.396 2.598 20 30 FFEDLO CC(C)(C)N(Cc1cccc(F)c1)C(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000092916725 1027506618 /nfs/dbraw/zinc/50/66/18/1027506618.db2.gz LKUWREYQSGFTMR-UHFFFAOYSA-N 1 2 372.444 2.879 20 30 FFEDLO CCOc1ccccc1[C@H](CC)NC(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000092916185 1027507202 /nfs/dbraw/zinc/50/72/02/1027507202.db2.gz IKFCBFHWXZYRCT-KRWDZBQOSA-N 1 2 370.453 2.579 20 30 FFEDLO C[C@](CNc1cccc(F)c1C#N)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001103585127 1027729211 /nfs/dbraw/zinc/72/92/11/1027729211.db2.gz QKPKZVSRLPFWFZ-ARGWCVDVSA-N 1 2 367.428 2.921 20 30 FFEDLO C[C@](CNc1cccc(F)c1C#N)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001103585127 1027729229 /nfs/dbraw/zinc/72/92/29/1027729229.db2.gz QKPKZVSRLPFWFZ-ARGWCVDVSA-N 1 2 367.428 2.921 20 30 FFEDLO C=CCOc1ccc(Br)cc1NC(=O)Cc1c[nH+]cn1C ZINC001161337369 1028137439 /nfs/dbraw/zinc/13/74/39/1028137439.db2.gz ZZYAIVVSWQPXJN-UHFFFAOYSA-N 1 2 350.216 2.929 20 30 FFEDLO C=CCO[C@H](C)C(=O)NCC[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001103769224 1028175231 /nfs/dbraw/zinc/17/52/31/1028175231.db2.gz QVQFELVISZJAKG-MGPQQGTHSA-N 1 2 371.934 2.962 20 30 FFEDLO C=CCO[C@H](C)C(=O)NCC[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001103769224 1028175238 /nfs/dbraw/zinc/17/52/38/1028175238.db2.gz QVQFELVISZJAKG-MGPQQGTHSA-N 1 2 371.934 2.962 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2noc(CCC)n2)C1 ZINC001104092344 1028561669 /nfs/dbraw/zinc/56/16/69/1028561669.db2.gz RVUDRDYOJDTDOJ-IAGOWNOFSA-N 1 2 360.502 2.790 20 30 FFEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780928055 1028876724 /nfs/dbraw/zinc/87/67/24/1028876724.db2.gz FNFLSSCNXDJCKG-YWZLYKJASA-N 1 2 367.424 2.636 20 30 FFEDLO COCC(C)(C)[NH+]1CCN(c2c(Br)cccc2C#N)CC1 ZINC001163550747 1028966883 /nfs/dbraw/zinc/96/68/83/1028966883.db2.gz IRPMBSLUAWYMJZ-UHFFFAOYSA-N 1 2 352.276 2.868 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)n1C1CC1)C2 ZINC001111846282 1029609484 /nfs/dbraw/zinc/60/94/84/1029609484.db2.gz ZJXGOEWBELFKRH-UWJYYQICSA-N 1 2 369.513 2.586 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)n1C1CC1)C2 ZINC001111846282 1029609489 /nfs/dbraw/zinc/60/94/89/1029609489.db2.gz ZJXGOEWBELFKRH-UWJYYQICSA-N 1 2 369.513 2.586 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1C(C)C)C2 ZINC001111848476 1029612337 /nfs/dbraw/zinc/61/23/37/1029612337.db2.gz IFROXMIPZKRXDU-UWVAXJGDSA-N 1 2 359.518 2.932 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1C(C)C)C2 ZINC001111848476 1029612342 /nfs/dbraw/zinc/61/23/42/1029612342.db2.gz IFROXMIPZKRXDU-UWVAXJGDSA-N 1 2 359.518 2.932 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C3CC3)n1C)C2 ZINC001111848902 1029613982 /nfs/dbraw/zinc/61/39/82/1029613982.db2.gz XBSBDXPNJPLPRF-WJPUGNRLSA-N 1 2 371.529 2.766 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C3CC3)n1C)C2 ZINC001111848902 1029613985 /nfs/dbraw/zinc/61/39/85/1029613985.db2.gz XBSBDXPNJPLPRF-WJPUGNRLSA-N 1 2 371.529 2.766 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(CC3CC3)nn1)C2 ZINC001111851781 1029619012 /nfs/dbraw/zinc/61/90/12/1029619012.db2.gz OCAJPBJZCXAKMY-MDKPJZGXSA-N 1 2 371.529 2.761 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(CC3CC3)nn1)C2 ZINC001111851781 1029619016 /nfs/dbraw/zinc/61/90/16/1029619016.db2.gz OCAJPBJZCXAKMY-MDKPJZGXSA-N 1 2 371.529 2.761 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1nc(COC)no1)C2 ZINC001111858840 1029630277 /nfs/dbraw/zinc/63/02/77/1029630277.db2.gz AVZFEJUTURBMBJ-VCBZYWHSSA-N 1 2 362.474 2.604 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1nc(COC)no1)C2 ZINC001111858840 1029630283 /nfs/dbraw/zinc/63/02/83/1029630283.db2.gz AVZFEJUTURBMBJ-VCBZYWHSSA-N 1 2 362.474 2.604 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2coc(-c3cccc(F)c3)n2)C[C@H]1C ZINC001206662877 1029670163 /nfs/dbraw/zinc/67/01/63/1029670163.db2.gz VJBRCKNZMNFUCY-OGHNNQOOSA-N 1 2 356.401 2.577 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C[C@H]1C ZINC001206662877 1029670167 /nfs/dbraw/zinc/67/01/67/1029670167.db2.gz VJBRCKNZMNFUCY-OGHNNQOOSA-N 1 2 356.401 2.577 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2cn(-c3cccc(F)c3)nc2C)CC1 ZINC000840951070 1029940570 /nfs/dbraw/zinc/94/05/70/1029940570.db2.gz RHBPNGMFZDYWHL-UHFFFAOYSA-N 1 2 356.401 2.599 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc3c(c1)OCCCO3)CC2 ZINC001142258450 1030228607 /nfs/dbraw/zinc/22/86/07/1030228607.db2.gz PVJHIHMSUKGPQO-UHFFFAOYSA-N 1 2 369.465 2.842 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc3c(c1)OCCCO3)CC2 ZINC001142258450 1030228618 /nfs/dbraw/zinc/22/86/18/1030228618.db2.gz PVJHIHMSUKGPQO-UHFFFAOYSA-N 1 2 369.465 2.842 20 30 FFEDLO CCCN1C(=O)CC[C@@H](C(=O)OCC2(C#N)CCCC2)[C@@H]1c1c[nH+]cn1C ZINC000796822275 1030926388 /nfs/dbraw/zinc/92/63/88/1030926388.db2.gz BHZXVAAVYPZFCS-CRAIPNDOSA-N 1 2 372.469 2.737 20 30 FFEDLO O=C(C#Cc1ccccc1)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001142857645 1030960439 /nfs/dbraw/zinc/96/04/39/1030960439.db2.gz HLFCMESCRWRWSM-UHFFFAOYSA-N 1 2 364.445 2.525 20 30 FFEDLO O=C(C#Cc1ccccc1)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001142857645 1030960445 /nfs/dbraw/zinc/96/04/45/1030960445.db2.gz HLFCMESCRWRWSM-UHFFFAOYSA-N 1 2 364.445 2.525 20 30 FFEDLO C=CCOc1cc(OC)ccc1C(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842889480 1031023163 /nfs/dbraw/zinc/02/31/63/1031023163.db2.gz ZZXDCCXQBCZAMZ-UHFFFAOYSA-N 1 2 354.406 2.948 20 30 FFEDLO CN(C)c1n[nH]c(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)n1 ZINC001204137592 1031124442 /nfs/dbraw/zinc/12/44/42/1031124442.db2.gz XVBXLMKJBAPRKP-UHFFFAOYSA-N 1 2 362.437 2.611 20 30 FFEDLO C=CCCC1(C(=O)N(Cc2ccccc2)[C@@H]2C[N@@H+](CCF)C[C@H]2O)CC1 ZINC001205181817 1031579510 /nfs/dbraw/zinc/57/95/10/1031579510.db2.gz MIIWHADZSJYUNP-RTBURBONSA-N 1 2 360.473 2.776 20 30 FFEDLO C=CCCC1(C(=O)N(Cc2ccccc2)[C@@H]2C[N@H+](CCF)C[C@H]2O)CC1 ZINC001205181817 1031579524 /nfs/dbraw/zinc/57/95/24/1031579524.db2.gz MIIWHADZSJYUNP-RTBURBONSA-N 1 2 360.473 2.776 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](Cc2ccncc2C)Cc2nnn(CC3CC3)c21 ZINC001205841776 1032025842 /nfs/dbraw/zinc/02/58/42/1032025842.db2.gz HMEYJFVKIXHBSQ-SFHVURJKSA-N 1 2 353.470 2.694 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](Cc2ccncc2C)Cc2nnn(CC3CC3)c21 ZINC001205841776 1032025860 /nfs/dbraw/zinc/02/58/60/1032025860.db2.gz HMEYJFVKIXHBSQ-SFHVURJKSA-N 1 2 353.470 2.694 20 30 FFEDLO C[C@@H]([NH3+])c1ncc(C(=O)Nc2c(C#N)cnnc2-c2ccccc2)s1 ZINC001218718366 1033301361 /nfs/dbraw/zinc/30/13/61/1033301361.db2.gz OJGKVEJZYSPENW-SNVBAGLBSA-N 1 2 350.407 2.744 20 30 FFEDLO CC1(CCC(=O)N2CCO[C@@H]3C[N@H+](CC#Cc4ccc(F)cc4)C[C@@H]32)CC1 ZINC001218899202 1033398939 /nfs/dbraw/zinc/39/89/39/1033398939.db2.gz ALWOKKRDVBDWEV-VQTJNVASSA-N 1 2 370.468 2.669 20 30 FFEDLO CC1(CCC(=O)N2CCO[C@@H]3C[N@@H+](CC#Cc4ccc(F)cc4)C[C@@H]32)CC1 ZINC001218899202 1033398945 /nfs/dbraw/zinc/39/89/45/1033398945.db2.gz ALWOKKRDVBDWEV-VQTJNVASSA-N 1 2 370.468 2.669 20 30 FFEDLO C#C[C@](C)([NH3+])C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1C ZINC001219321257 1033598560 /nfs/dbraw/zinc/59/85/60/1033598560.db2.gz JXQICXLWMYNIRC-LBPRGKRZSA-N 1 2 368.277 2.596 20 30 FFEDLO CC[C@@H](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001219694621 1033758870 /nfs/dbraw/zinc/75/88/70/1033758870.db2.gz GBUBBLSBTPNKHZ-AHRSYUTCSA-N 1 2 357.498 2.826 20 30 FFEDLO CC[C@@H](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001219694621 1033758883 /nfs/dbraw/zinc/75/88/83/1033758883.db2.gz GBUBBLSBTPNKHZ-AHRSYUTCSA-N 1 2 357.498 2.826 20 30 FFEDLO CCC[C@@H](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001219700580 1033767321 /nfs/dbraw/zinc/76/73/21/1033767321.db2.gz WUJXDKDULXSBMS-OLMNPRSZSA-N 1 2 363.527 2.888 20 30 FFEDLO CCC[C@@H](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001219700580 1033767339 /nfs/dbraw/zinc/76/73/39/1033767339.db2.gz WUJXDKDULXSBMS-OLMNPRSZSA-N 1 2 363.527 2.888 20 30 FFEDLO C=CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3cnon3)[C@H]2C1)c1ccccc1 ZINC001224198514 1033769124 /nfs/dbraw/zinc/76/91/24/1033769124.db2.gz NUDYVGFKADTAQG-HOJAQTOUSA-N 1 2 366.465 2.852 20 30 FFEDLO C=CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnon3)[C@H]2C1)c1ccccc1 ZINC001224198514 1033769139 /nfs/dbraw/zinc/76/91/39/1033769139.db2.gz NUDYVGFKADTAQG-HOJAQTOUSA-N 1 2 366.465 2.852 20 30 FFEDLO CCC[C@H](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001219700581 1033769440 /nfs/dbraw/zinc/76/94/40/1033769440.db2.gz WUJXDKDULXSBMS-QGTPRVQTSA-N 1 2 363.527 2.888 20 30 FFEDLO CCC[C@H](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001219700581 1033769457 /nfs/dbraw/zinc/76/94/57/1033769457.db2.gz WUJXDKDULXSBMS-QGTPRVQTSA-N 1 2 363.527 2.888 20 30 FFEDLO C[Si](C)(C)C#Cc1ccc(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001220188417 1034033638 /nfs/dbraw/zinc/03/36/38/1034033638.db2.gz CBYJQUHKLSIWFT-INIZCTEOSA-N 1 2 350.485 2.890 20 30 FFEDLO C#C[C@H](NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)c1ccccc1 ZINC000831570752 1034127300 /nfs/dbraw/zinc/12/73/00/1034127300.db2.gz LKLCXABFUZOHKQ-KRWDZBQOSA-N 1 2 350.422 2.723 20 30 FFEDLO C#CCOc1ccc(CN2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)cc1 ZINC001138558664 1034410393 /nfs/dbraw/zinc/41/03/93/1034410393.db2.gz DDSZZSUSVPBLAR-UHFFFAOYSA-N 1 2 367.497 2.536 20 30 FFEDLO C#CCOc1ccc(CN2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)cc1 ZINC001138558664 1034410395 /nfs/dbraw/zinc/41/03/95/1034410395.db2.gz DDSZZSUSVPBLAR-UHFFFAOYSA-N 1 2 367.497 2.536 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2CCc3ncn(C)c3[C@H]2COCC=C)cc1 ZINC001138558653 1034410648 /nfs/dbraw/zinc/41/06/48/1034410648.db2.gz CQVQPMJDTYIARO-HXUWFJFHSA-N 1 2 351.450 2.734 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2CCc3ncn(C)c3[C@H]2COCC=C)cc1 ZINC001138558653 1034410655 /nfs/dbraw/zinc/41/06/55/1034410655.db2.gz CQVQPMJDTYIARO-HXUWFJFHSA-N 1 2 351.450 2.734 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)cc1 ZINC001138559475 1034411869 /nfs/dbraw/zinc/41/18/69/1034411869.db2.gz MHHDBNCQVXZODA-TUNNFDKTSA-N 1 2 364.445 2.904 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)cc1 ZINC001138559475 1034411873 /nfs/dbraw/zinc/41/18/73/1034411873.db2.gz MHHDBNCQVXZODA-TUNNFDKTSA-N 1 2 364.445 2.904 20 30 FFEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1c(F)ccc(O)c1F)CC2 ZINC001277131039 1034704172 /nfs/dbraw/zinc/70/41/72/1034704172.db2.gz TZJIJOHERWUYJI-CQSZACIVSA-N 1 2 363.408 2.692 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221417471 1034728248 /nfs/dbraw/zinc/72/82/48/1034728248.db2.gz RJNVBYGTENMOJV-JNAXZKDPSA-N 1 2 371.456 2.545 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221417471 1034728256 /nfs/dbraw/zinc/72/82/56/1034728256.db2.gz RJNVBYGTENMOJV-JNAXZKDPSA-N 1 2 371.456 2.545 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001221421690 1034733603 /nfs/dbraw/zinc/73/36/03/1034733603.db2.gz DXEVMDVKTIECSV-QMTMVMCOSA-N 1 2 364.436 2.979 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001221421690 1034733615 /nfs/dbraw/zinc/73/36/15/1034733615.db2.gz DXEVMDVKTIECSV-QMTMVMCOSA-N 1 2 364.436 2.979 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N[C@@H](C)CCC)C[C@H]32)CC1 ZINC001221795096 1035076100 /nfs/dbraw/zinc/07/61/00/1035076100.db2.gz JFOWDLLRMFGRCG-RCCFBDPRSA-N 1 2 361.530 2.570 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3CC[N@H+](CC(=O)N[C@@H](C)CCC)C[C@H]32)CC1 ZINC001221795096 1035076107 /nfs/dbraw/zinc/07/61/07/1035076107.db2.gz JFOWDLLRMFGRCG-RCCFBDPRSA-N 1 2 361.530 2.570 20 30 FFEDLO COC(=O)c1ccccc1N1CC[NH+](Cc2cc(F)cc(C#N)c2)CC1 ZINC001139876383 1035263857 /nfs/dbraw/zinc/26/38/57/1035263857.db2.gz VIZZKAKQWIUAMW-UHFFFAOYSA-N 1 2 353.397 2.806 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001536134106 1069926500 /nfs/dbraw/zinc/92/65/00/1069926500.db2.gz FAEVHBNGMZYWMN-YYIAUSFCSA-N 1 2 370.497 2.707 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001536134106 1069926515 /nfs/dbraw/zinc/92/65/15/1069926515.db2.gz FAEVHBNGMZYWMN-YYIAUSFCSA-N 1 2 370.497 2.707 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001140472078 1035486915 /nfs/dbraw/zinc/48/69/15/1035486915.db2.gz VBRMOMUALJOJAB-UHFFFAOYSA-N 1 2 367.405 2.882 20 30 FFEDLO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1csc(NC(C)=O)n1)C2 ZINC001232284140 1035549838 /nfs/dbraw/zinc/54/98/38/1035549838.db2.gz GCPAUYHRQJEKIP-SFHVURJKSA-N 1 2 362.499 2.635 20 30 FFEDLO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1csc(NC(C)=O)n1)C2 ZINC001232284140 1035549852 /nfs/dbraw/zinc/54/98/52/1035549852.db2.gz GCPAUYHRQJEKIP-SFHVURJKSA-N 1 2 362.499 2.635 20 30 FFEDLO N#Cc1cccc(CN2CC[C@@]3(CCC[N@@H+]3Cc3cnsc3)C2=O)c1 ZINC001277648300 1035588060 /nfs/dbraw/zinc/58/80/60/1035588060.db2.gz JPFJHNOAMYKLFN-IBGZPJMESA-N 1 2 352.463 2.782 20 30 FFEDLO N#Cc1cccc(CN2CC[C@@]3(CCC[N@H+]3Cc3cnsc3)C2=O)c1 ZINC001277648300 1035588074 /nfs/dbraw/zinc/58/80/74/1035588074.db2.gz JPFJHNOAMYKLFN-IBGZPJMESA-N 1 2 352.463 2.782 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccnc(C(F)F)c1)C2 ZINC001277222092 1035618381 /nfs/dbraw/zinc/61/83/81/1035618381.db2.gz FUQXKQIVBCNPCG-IBGZPJMESA-N 1 2 365.424 2.646 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccnc(C(F)F)c1)C2 ZINC001277222092 1035618388 /nfs/dbraw/zinc/61/83/88/1035618388.db2.gz FUQXKQIVBCNPCG-IBGZPJMESA-N 1 2 365.424 2.646 20 30 FFEDLO CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1cc(C#N)ccc1O)CC2 ZINC001232675735 1035933091 /nfs/dbraw/zinc/93/30/91/1035933091.db2.gz UOQNIWTVHXNRND-UHFFFAOYSA-N 1 2 366.465 2.965 20 30 FFEDLO CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1cc(C#N)ccc1O)CC2 ZINC001232675735 1035933103 /nfs/dbraw/zinc/93/31/03/1035933103.db2.gz UOQNIWTVHXNRND-UHFFFAOYSA-N 1 2 366.465 2.965 20 30 FFEDLO CCOC(=O)c1coc(C2CC[NH+](Cc3cc(C#N)ccc3O)CC2)n1 ZINC001232678291 1035935584 /nfs/dbraw/zinc/93/55/84/1035935584.db2.gz TXAVFVZRKHTFFQ-UHFFFAOYSA-N 1 2 355.394 2.808 20 30 FFEDLO COc1ccc(N2CC[NH+](Cc3cc(C#N)ccc3O)CC2)c(OC)c1 ZINC001232678433 1035936263 /nfs/dbraw/zinc/93/62/63/1035936263.db2.gz ZARSEMPGCPLPPU-UHFFFAOYSA-N 1 2 353.422 2.603 20 30 FFEDLO Cn1c2ccccc2n(C2CC[NH+](Cc3cc(C#N)ccc3O)CC2)c1=O ZINC001232679590 1035936377 /nfs/dbraw/zinc/93/63/77/1035936377.db2.gz OHMSYPYAFKQOBM-UHFFFAOYSA-N 1 2 362.433 2.754 20 30 FFEDLO CCn1c2ccccc2nc1N1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232681069 1035940001 /nfs/dbraw/zinc/94/00/01/1035940001.db2.gz KJWQKNZXTDUAPW-UHFFFAOYSA-N 1 2 361.449 2.956 20 30 FFEDLO CN(C)C(=O)NC1CC[NH+](Cc2ccc(Br)c(C#N)c2)CC1 ZINC001232898415 1036139186 /nfs/dbraw/zinc/13/91/86/1036139186.db2.gz VHLXTPKLZMRRFW-UHFFFAOYSA-N 1 2 365.275 2.556 20 30 FFEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001233045753 1036291253 /nfs/dbraw/zinc/29/12/53/1036291253.db2.gz VGWDHPSHUQGEGB-QUCCMNQESA-N 1 2 370.428 2.871 20 30 FFEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001233045753 1036291268 /nfs/dbraw/zinc/29/12/68/1036291268.db2.gz VGWDHPSHUQGEGB-QUCCMNQESA-N 1 2 370.428 2.871 20 30 FFEDLO N#CCCCN1CC[C@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001277386762 1036668917 /nfs/dbraw/zinc/66/89/17/1036668917.db2.gz AEURYWPFURLFIA-SFHVURJKSA-N 1 2 365.836 2.913 20 30 FFEDLO N#CCCCN1CC[C@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001277386762 1036668919 /nfs/dbraw/zinc/66/89/19/1036668919.db2.gz AEURYWPFURLFIA-SFHVURJKSA-N 1 2 365.836 2.913 20 30 FFEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1nc3cc(F)ccc3[nH]1)CC2 ZINC001277410753 1036863077 /nfs/dbraw/zinc/86/30/77/1036863077.db2.gz QLNOSKLLPRYYRS-OAHLLOKOSA-N 1 2 356.445 2.996 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(Br)s2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206950634 1036972086 /nfs/dbraw/zinc/97/20/86/1036972086.db2.gz BPSUKPAAIPJSHS-BXUZGUMPSA-N 1 2 367.312 2.861 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)s2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206950634 1036972103 /nfs/dbraw/zinc/97/21/03/1036972103.db2.gz BPSUKPAAIPJSHS-BXUZGUMPSA-N 1 2 367.312 2.861 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC001206965284 1036994409 /nfs/dbraw/zinc/99/44/09/1036994409.db2.gz VWQIXJBUAIMKCC-IIYDPXPESA-N 1 2 369.292 2.968 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC001206965284 1036994425 /nfs/dbraw/zinc/99/44/25/1036994425.db2.gz VWQIXJBUAIMKCC-IIYDPXPESA-N 1 2 369.292 2.968 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](Cc2ncc(CC)o2)C[C@H]1C ZINC001206968211 1036997823 /nfs/dbraw/zinc/99/78/23/1036997823.db2.gz UTXXJQCUHHGMJA-SJLPKXTDSA-N 1 2 363.502 2.937 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ncc(CC)o2)C[C@H]1C ZINC001206968211 1036997838 /nfs/dbraw/zinc/99/78/38/1036997838.db2.gz UTXXJQCUHHGMJA-SJLPKXTDSA-N 1 2 363.502 2.937 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)Cc2ncn(CC3CC3)c21 ZINC001207103871 1037147170 /nfs/dbraw/zinc/14/71/70/1037147170.db2.gz AFMUBTDUVDZPEO-KRWDZBQOSA-N 1 2 353.470 2.639 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)Cc2ncn(CC3CC3)c21 ZINC001207103871 1037147177 /nfs/dbraw/zinc/14/71/77/1037147177.db2.gz AFMUBTDUVDZPEO-KRWDZBQOSA-N 1 2 353.470 2.639 20 30 FFEDLO N#CCCCN1CC[C@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001277507586 1037538494 /nfs/dbraw/zinc/53/84/94/1037538494.db2.gz RFWLYACKOKIPLM-SFHVURJKSA-N 1 2 365.836 2.913 20 30 FFEDLO N#CCCCN1CC[C@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001277507586 1037538507 /nfs/dbraw/zinc/53/85/07/1037538507.db2.gz RFWLYACKOKIPLM-SFHVURJKSA-N 1 2 365.836 2.913 20 30 FFEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)OCC1=O ZINC001277510944 1037552682 /nfs/dbraw/zinc/55/26/82/1037552682.db2.gz UQHHEHYCQMADAE-GOSISDBHSA-N 1 2 368.836 2.564 20 30 FFEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)OCC1=O ZINC001277510944 1037552689 /nfs/dbraw/zinc/55/26/89/1037552689.db2.gz UQHHEHYCQMADAE-GOSISDBHSA-N 1 2 368.836 2.564 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](OC)c2cccc(OC)c2)C1 ZINC001208176509 1038115202 /nfs/dbraw/zinc/11/52/02/1038115202.db2.gz LCDQRGVCFAEZAJ-JLZZUVOBSA-N 1 2 352.862 2.572 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](OC)c2cccc(OC)c2)C1 ZINC001208176509 1038115212 /nfs/dbraw/zinc/11/52/12/1038115212.db2.gz LCDQRGVCFAEZAJ-JLZZUVOBSA-N 1 2 352.862 2.572 20 30 FFEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1nc(Cl)ccc1F)CC2 ZINC001277617435 1038185619 /nfs/dbraw/zinc/18/56/19/1038185619.db2.gz XJMFHOAONNTHQM-ZDUSSCGKSA-N 1 2 364.852 2.896 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cc(C)cc(C)c2)C[C@H]1C ZINC001208309098 1038201602 /nfs/dbraw/zinc/20/16/02/1038201602.db2.gz BVCKDSYMYYQYFC-SJLPKXTDSA-N 1 2 357.498 2.891 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cc(C)cc(C)c2)C[C@H]1C ZINC001208309098 1038201617 /nfs/dbraw/zinc/20/16/17/1038201617.db2.gz BVCKDSYMYYQYFC-SJLPKXTDSA-N 1 2 357.498 2.891 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3cccs3)no2)C[C@H]1C ZINC001208317957 1038211053 /nfs/dbraw/zinc/21/10/53/1038211053.db2.gz CVUIPACZRMTVTK-CHWSQXEVSA-N 1 2 360.483 2.947 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nc(-c3cccs3)no2)C[C@H]1C ZINC001208317957 1038211067 /nfs/dbraw/zinc/21/10/67/1038211067.db2.gz CVUIPACZRMTVTK-CHWSQXEVSA-N 1 2 360.483 2.947 20 30 FFEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3ncccc3Br)CC2)nc1 ZINC001232165400 1038213642 /nfs/dbraw/zinc/21/36/42/1038213642.db2.gz CRXRMCJXFWWRCI-UHFFFAOYSA-N 1 2 372.270 2.823 20 30 FFEDLO N#Cc1ccc(N2CCC[N@H+](Cc3ncccc3Br)CC2)nc1 ZINC001232165400 1038213649 /nfs/dbraw/zinc/21/36/49/1038213649.db2.gz CRXRMCJXFWWRCI-UHFFFAOYSA-N 1 2 372.270 2.823 20 30 FFEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(O)c(F)c(F)c1)CC2 ZINC001278009839 1038266305 /nfs/dbraw/zinc/26/63/05/1038266305.db2.gz ZEVXNDKDEJEDJN-AWEZNQCLSA-N 1 2 363.408 2.692 20 30 FFEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C(=O)OCC ZINC001256459194 1038521327 /nfs/dbraw/zinc/52/13/27/1038521327.db2.gz PSDCBPHAUXTCGT-BKEDOTJMSA-N 1 2 352.475 2.872 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C1(C(F)(F)F)CC1 ZINC001208850694 1038555429 /nfs/dbraw/zinc/55/54/29/1038555429.db2.gz LRJGXUIFQLTFNT-IAQYHMDHSA-N 1 2 369.362 2.976 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C1(C(F)(F)F)CC1 ZINC001208850694 1038555443 /nfs/dbraw/zinc/55/54/43/1038555443.db2.gz LRJGXUIFQLTFNT-IAQYHMDHSA-N 1 2 369.362 2.976 20 30 FFEDLO C=CCN(CC[N@@H+]1CCc2sc(C(=O)OCC)cc2C1)C(=O)OCC ZINC001209022476 1038637106 /nfs/dbraw/zinc/63/71/06/1038637106.db2.gz LCPJBQLDLZJBGH-UHFFFAOYSA-N 1 2 366.483 2.927 20 30 FFEDLO C=CCN(CC[N@H+]1CCc2sc(C(=O)OCC)cc2C1)C(=O)OCC ZINC001209022476 1038637108 /nfs/dbraw/zinc/63/71/08/1038637108.db2.gz LCPJBQLDLZJBGH-UHFFFAOYSA-N 1 2 366.483 2.927 20 30 FFEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(Br)cnn1C)C2 ZINC001209709277 1039144743 /nfs/dbraw/zinc/14/47/43/1039144743.db2.gz PXKWLDPREVJHCS-CJNGLKHVSA-N 1 2 370.291 2.509 20 30 FFEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(Br)cnn1C)C2 ZINC001209709277 1039144749 /nfs/dbraw/zinc/14/47/49/1039144749.db2.gz PXKWLDPREVJHCS-CJNGLKHVSA-N 1 2 370.291 2.509 20 30 FFEDLO Cc1cc(Br)c(OC(C)C)c(CN2CC[NH2+]C[C@H]2C#N)c1 ZINC001210195904 1039426073 /nfs/dbraw/zinc/42/60/73/1039426073.db2.gz LKXJDNXOSIFHPD-CQSZACIVSA-N 1 2 352.276 2.842 20 30 FFEDLO C=CCC[C@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001252603739 1039610809 /nfs/dbraw/zinc/61/08/09/1039610809.db2.gz GDQMYJUGFGBTHN-QWHCGFSZSA-N 1 2 352.397 2.797 20 30 FFEDLO C=CCC[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001252603739 1039610812 /nfs/dbraw/zinc/61/08/12/1039610812.db2.gz GDQMYJUGFGBTHN-QWHCGFSZSA-N 1 2 352.397 2.797 20 30 FFEDLO N#Cc1cc(S(=O)(=O)Nc2c[nH+]ccc2N2CCCCC2)ccc1F ZINC001259412571 1039984163 /nfs/dbraw/zinc/98/41/63/1039984163.db2.gz CSDOLNBBRGEVKI-UHFFFAOYSA-N 1 2 360.414 2.883 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C)c1ccccc1 ZINC001211200330 1039993042 /nfs/dbraw/zinc/99/30/42/1039993042.db2.gz UKIUAATYUCXQCI-NSISKUIASA-N 1 2 352.482 2.717 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C)c1ccccc1 ZINC001211200330 1039993050 /nfs/dbraw/zinc/99/30/50/1039993050.db2.gz UKIUAATYUCXQCI-NSISKUIASA-N 1 2 352.482 2.717 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cccc2)C1 ZINC001211227902 1040012668 /nfs/dbraw/zinc/01/26/68/1040012668.db2.gz BONCXUXBBWDASL-UKRRQHHQSA-N 1 2 354.292 2.613 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cccc2)C1 ZINC001211227902 1040012684 /nfs/dbraw/zinc/01/26/84/1040012684.db2.gz BONCXUXBBWDASL-UKRRQHHQSA-N 1 2 354.292 2.613 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)C[C@H]1NC(=O)CC#Cc1ccccc1 ZINC001211235121 1040023163 /nfs/dbraw/zinc/02/31/63/1040023163.db2.gz IITSOSDAZULWNY-OXQOHEQNSA-N 1 2 363.461 2.930 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)C[C@H]1NC(=O)CC#Cc1ccccc1 ZINC001211235121 1040023178 /nfs/dbraw/zinc/02/31/78/1040023178.db2.gz IITSOSDAZULWNY-OXQOHEQNSA-N 1 2 363.461 2.930 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc(CCCC)no2)C[C@H]1C ZINC001211422976 1040182264 /nfs/dbraw/zinc/18/22/64/1040182264.db2.gz WFBQKECQPYODCD-BZUAXINKSA-N 1 2 364.490 2.502 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc(CCCC)no2)C[C@H]1C ZINC001211422976 1040182274 /nfs/dbraw/zinc/18/22/74/1040182274.db2.gz WFBQKECQPYODCD-BZUAXINKSA-N 1 2 364.490 2.502 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc(CCCC)no2)C[C@H]1C ZINC001211422977 1040182775 /nfs/dbraw/zinc/18/27/75/1040182775.db2.gz WFBQKECQPYODCD-OWCLPIDISA-N 1 2 364.490 2.502 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc(CCCC)no2)C[C@H]1C ZINC001211422977 1040182779 /nfs/dbraw/zinc/18/27/79/1040182779.db2.gz WFBQKECQPYODCD-OWCLPIDISA-N 1 2 364.490 2.502 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)on2)C[C@H]1C ZINC001211428270 1040187587 /nfs/dbraw/zinc/18/75/87/1040187587.db2.gz YQKNDWICYTYPGZ-GPMSIDNRSA-N 1 2 369.465 2.869 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)on2)C[C@H]1C ZINC001211428270 1040187598 /nfs/dbraw/zinc/18/75/98/1040187598.db2.gz YQKNDWICYTYPGZ-GPMSIDNRSA-N 1 2 369.465 2.869 20 30 FFEDLO C=CCS(=O)(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001259935576 1040306180 /nfs/dbraw/zinc/30/61/80/1040306180.db2.gz IQZVEUUSQKUOPG-UHFFFAOYSA-N 1 2 373.316 2.519 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)CCC(F)F ZINC001213175611 1040308213 /nfs/dbraw/zinc/30/82/13/1040308213.db2.gz WQOHYJIABCGZGM-HZPDHXFCSA-N 1 2 370.827 2.552 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)CCC(F)F ZINC001213175611 1040308218 /nfs/dbraw/zinc/30/82/18/1040308218.db2.gz WQOHYJIABCGZGM-HZPDHXFCSA-N 1 2 370.827 2.552 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3c2cc(F)cc3F)C[C@H]1OC ZINC001213267960 1040390430 /nfs/dbraw/zinc/39/04/30/1040390430.db2.gz CTSMPWRREXAYBD-KZNAEPCWSA-N 1 2 364.436 2.980 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3c2cc(F)cc3F)C[C@H]1OC ZINC001213267960 1040390444 /nfs/dbraw/zinc/39/04/44/1040390444.db2.gz CTSMPWRREXAYBD-KZNAEPCWSA-N 1 2 364.436 2.980 20 30 FFEDLO CCOC(=O)c1cc2n(n1)CCC[N@H+](Cc1ccc(C#N)cc1CC)C2 ZINC001248748247 1040392458 /nfs/dbraw/zinc/39/24/58/1040392458.db2.gz CMJSTSQOWWBHHS-UHFFFAOYSA-N 1 2 352.438 2.900 20 30 FFEDLO CCOC(=O)c1cc2n(n1)CCC[N@@H+](Cc1ccc(C#N)cc1CC)C2 ZINC001248748247 1040392467 /nfs/dbraw/zinc/39/24/67/1040392467.db2.gz CMJSTSQOWWBHHS-UHFFFAOYSA-N 1 2 352.438 2.900 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(=O)CC(C)=C(C)C)[C@H](OC)C1 ZINC001213283154 1040407456 /nfs/dbraw/zinc/40/74/56/1040407456.db2.gz SBCZDSIEXHXXMT-UYAOXDASSA-N 1 2 371.481 2.629 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(=O)CC(C)=C(C)C)[C@H](OC)C1 ZINC001213283154 1040407463 /nfs/dbraw/zinc/40/74/63/1040407463.db2.gz SBCZDSIEXHXXMT-UYAOXDASSA-N 1 2 371.481 2.629 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2OC)CCC1 ZINC001213307519 1040430004 /nfs/dbraw/zinc/43/00/04/1040430004.db2.gz CHGHWHZGGLQGGT-RTBURBONSA-N 1 2 358.457 2.573 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2OC)CCC1 ZINC001213307519 1040430013 /nfs/dbraw/zinc/43/00/13/1040430013.db2.gz CHGHWHZGGLQGGT-RTBURBONSA-N 1 2 358.457 2.573 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2OC)CCC1 ZINC001213383158 1040497158 /nfs/dbraw/zinc/49/71/58/1040497158.db2.gz VTNKDZISLAJSFN-WOJBJXKFSA-N 1 2 370.468 2.739 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2OC)CCC1 ZINC001213383158 1040497165 /nfs/dbraw/zinc/49/71/65/1040497165.db2.gz VTNKDZISLAJSFN-WOJBJXKFSA-N 1 2 370.468 2.739 20 30 FFEDLO C[N@H+](CCCOc1ccc(Cl)cc1Cl)Cc1cn(C[C@@H]2CO2)nn1 ZINC001254072340 1040561249 /nfs/dbraw/zinc/56/12/49/1040561249.db2.gz SZFXLDGFMKXPEK-CQSZACIVSA-N 1 2 371.268 2.885 20 30 FFEDLO C[N@@H+](CCCOc1ccc(Cl)cc1Cl)Cc1cn(C[C@@H]2CO2)nn1 ZINC001254072340 1040561260 /nfs/dbraw/zinc/56/12/60/1040561260.db2.gz SZFXLDGFMKXPEK-CQSZACIVSA-N 1 2 371.268 2.885 20 30 FFEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ncc(C(=O)OC)s1)C2 ZINC001249463538 1040780076 /nfs/dbraw/zinc/78/00/76/1040780076.db2.gz MXLSGYNIXRPABS-QAPCUYQASA-N 1 2 366.483 2.503 20 30 FFEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ncc(C(=O)OC)s1)C2 ZINC001249463538 1040780079 /nfs/dbraw/zinc/78/00/79/1040780079.db2.gz MXLSGYNIXRPABS-QAPCUYQASA-N 1 2 366.483 2.503 20 30 FFEDLO Cc1nc(COC[C@@H]2C[N@@H+]([C@H]3CC[C@H](C#N)C3)Cc3ncn(C)c32)cs1 ZINC001254664965 1040867276 /nfs/dbraw/zinc/86/72/76/1040867276.db2.gz KMPNPXCWSWLAET-ZOBUZTSGSA-N 1 2 371.510 2.993 20 30 FFEDLO Cc1nc(COC[C@@H]2C[N@H+]([C@H]3CC[C@H](C#N)C3)Cc3ncn(C)c32)cs1 ZINC001254664965 1040867282 /nfs/dbraw/zinc/86/72/82/1040867282.db2.gz KMPNPXCWSWLAET-ZOBUZTSGSA-N 1 2 371.510 2.993 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1OC ZINC001213770570 1040887081 /nfs/dbraw/zinc/88/70/81/1040887081.db2.gz BKWHQKDSIVZSKE-RTBURBONSA-N 1 2 364.534 2.876 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1OC ZINC001213770570 1040887090 /nfs/dbraw/zinc/88/70/90/1040887090.db2.gz BKWHQKDSIVZSKE-RTBURBONSA-N 1 2 364.534 2.876 20 30 FFEDLO CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001213806940 1040937074 /nfs/dbraw/zinc/93/70/74/1040937074.db2.gz OWEVNLPHUNUXJL-RTBURBONSA-N 1 2 361.461 2.983 20 30 FFEDLO CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001213806940 1040937090 /nfs/dbraw/zinc/93/70/90/1040937090.db2.gz OWEVNLPHUNUXJL-RTBURBONSA-N 1 2 361.461 2.983 20 30 FFEDLO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[N@H+](C)Cc1cccc(C#N)c1F ZINC001249693096 1040945812 /nfs/dbraw/zinc/94/58/12/1040945812.db2.gz ICMJTRGJLOQFFR-HOTGVXAUSA-N 1 2 363.433 2.763 20 30 FFEDLO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[N@@H+](C)Cc1cccc(C#N)c1F ZINC001249693096 1040945820 /nfs/dbraw/zinc/94/58/20/1040945820.db2.gz ICMJTRGJLOQFFR-HOTGVXAUSA-N 1 2 363.433 2.763 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)C[C@H]1OC ZINC001213959712 1041119001 /nfs/dbraw/zinc/11/90/01/1041119001.db2.gz XUQHOTQVDQQERT-QZTJIDSGSA-N 1 2 366.889 2.557 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)C[C@H]1OC ZINC001213959712 1041119010 /nfs/dbraw/zinc/11/90/10/1041119010.db2.gz XUQHOTQVDQQERT-QZTJIDSGSA-N 1 2 366.889 2.557 20 30 FFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccccc2CC#N)[C@H]1c1ccc(F)cc1 ZINC001261854783 1041449313 /nfs/dbraw/zinc/44/93/13/1041449313.db2.gz VXUBMBHAKWLLCL-PKOBYXMFSA-N 1 2 373.453 2.615 20 30 FFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccccc2CC#N)[C@H]1c1ccc(F)cc1 ZINC001261854783 1041449318 /nfs/dbraw/zinc/44/93/18/1041449318.db2.gz VXUBMBHAKWLLCL-PKOBYXMFSA-N 1 2 373.453 2.615 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCO[C@@H](CCC)C1 ZINC001262977924 1042003734 /nfs/dbraw/zinc/00/37/34/1042003734.db2.gz RNHUZJWOTWJVDK-SFHVURJKSA-N 1 2 372.517 2.562 20 30 FFEDLO C=CCn1c(N2CCCC[C@@H]2CC(C)C)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001262987986 1042011657 /nfs/dbraw/zinc/01/16/57/1042011657.db2.gz JVHVZJYDLIHXME-UWVAXJGDSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCn1c(N2CCCC[C@@H]2CC(C)C)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001262987986 1042011663 /nfs/dbraw/zinc/01/16/63/1042011663.db2.gz JVHVZJYDLIHXME-UWVAXJGDSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001262991058 1042015120 /nfs/dbraw/zinc/01/51/20/1042015120.db2.gz XQIFNGUORXUXOP-GFCCVEGCSA-N 1 2 354.380 2.567 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](C3CCC3)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001263285392 1042221307 /nfs/dbraw/zinc/22/13/07/1042221307.db2.gz GEPQBSYKLPHMCG-UEXGIBASSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](C3CCC3)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001263285392 1042221311 /nfs/dbraw/zinc/22/13/11/1042221311.db2.gz GEPQBSYKLPHMCG-UEXGIBASSA-N 1 2 373.545 2.782 20 30 FFEDLO CCc1nc(C)c(C(=O)OCC#Cc2csc(C[NH+]3CCOCC3)c2)o1 ZINC001263660601 1042423489 /nfs/dbraw/zinc/42/34/89/1042423489.db2.gz KMZCREXYXNQIES-UHFFFAOYSA-N 1 2 374.462 2.648 20 30 FFEDLO Cc1nc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H](C)C#N)C2)cs1 ZINC001263883563 1042505833 /nfs/dbraw/zinc/50/58/33/1042505833.db2.gz RLCCJMPHPBXAIJ-DOPJRALCSA-N 1 2 354.479 2.695 20 30 FFEDLO Cc1nc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H](C)C#N)C2)cs1 ZINC001263883563 1042505837 /nfs/dbraw/zinc/50/58/37/1042505837.db2.gz RLCCJMPHPBXAIJ-DOPJRALCSA-N 1 2 354.479 2.695 20 30 FFEDLO O=C(C#CC1CC1)N[C@@H]1C[N@H+](Cc2cscn2)C[C@H]1c1ccccc1 ZINC001263884156 1042506740 /nfs/dbraw/zinc/50/67/40/1042506740.db2.gz DDCJVQDGQSCLDI-RBUKOAKNSA-N 1 2 351.475 2.641 20 30 FFEDLO O=C(C#CC1CC1)N[C@@H]1C[N@@H+](Cc2cscn2)C[C@H]1c1ccccc1 ZINC001263884156 1042506746 /nfs/dbraw/zinc/50/67/46/1042506746.db2.gz DDCJVQDGQSCLDI-RBUKOAKNSA-N 1 2 351.475 2.641 20 30 FFEDLO N#CCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001264603005 1042737744 /nfs/dbraw/zinc/73/77/44/1042737744.db2.gz WLAKFCLVHPAOFB-UHFFFAOYSA-N 1 2 363.333 2.935 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H](C)C#N)CC[N@@H+]1Cc1nc(-c2cccc(C)c2)no1 ZINC001264603508 1042738419 /nfs/dbraw/zinc/73/84/19/1042738419.db2.gz GPPVDQRRZIZSOX-HYVNUMGLSA-N 1 2 367.453 2.674 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H](C)C#N)CC[N@H+]1Cc1nc(-c2cccc(C)c2)no1 ZINC001264603508 1042738424 /nfs/dbraw/zinc/73/84/24/1042738424.db2.gz GPPVDQRRZIZSOX-HYVNUMGLSA-N 1 2 367.453 2.674 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001264717858 1042799478 /nfs/dbraw/zinc/79/94/78/1042799478.db2.gz NLKPILPPBSANEU-MDASCCDHSA-N 1 2 361.461 2.837 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001264717858 1042799482 /nfs/dbraw/zinc/79/94/82/1042799482.db2.gz NLKPILPPBSANEU-MDASCCDHSA-N 1 2 361.461 2.837 20 30 FFEDLO C=C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cc3n(n2)CCC3)[C@@H]1C)c1ccccc1 ZINC001264733960 1042815183 /nfs/dbraw/zinc/81/51/83/1042815183.db2.gz VVBFGPXRGUISON-HBGVWJBISA-N 1 2 364.493 2.878 20 30 FFEDLO C=C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)[C@@H]1C)c1ccccc1 ZINC001264733960 1042815189 /nfs/dbraw/zinc/81/51/89/1042815189.db2.gz VVBFGPXRGUISON-HBGVWJBISA-N 1 2 364.493 2.878 20 30 FFEDLO CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001279372289 1043034365 /nfs/dbraw/zinc/03/43/65/1043034365.db2.gz HMFKZFSQVSWDOZ-HDICACEKSA-N 1 2 353.445 2.763 20 30 FFEDLO CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001279372289 1043034370 /nfs/dbraw/zinc/03/43/70/1043034370.db2.gz HMFKZFSQVSWDOZ-HDICACEKSA-N 1 2 353.445 2.763 20 30 FFEDLO Cc1nc(CNC(=O)[C@@H]2CC23CC[NH+](Cc2[nH]ccc2C#N)CC3)cs1 ZINC001278063660 1043065829 /nfs/dbraw/zinc/06/58/29/1043065829.db2.gz ZVUKNLOFCIYPKE-INIZCTEOSA-N 1 2 369.494 2.570 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3nccnc3C#N)CC2)ccc1C(F)F ZINC001237272507 1043084398 /nfs/dbraw/zinc/08/43/98/1043084398.db2.gz IDOFACMPZCDCLL-UHFFFAOYSA-N 1 2 359.380 2.617 20 30 FFEDLO Cc1ncsc1C[NH+]1CC2(CN(C(=O)c3c(F)cc(C#N)cc3F)C2)C1 ZINC001279435375 1043110940 /nfs/dbraw/zinc/11/09/40/1043110940.db2.gz GXKGVEOKDOCHPS-UHFFFAOYSA-N 1 2 374.416 2.559 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)ccn1 ZINC001237463074 1043180635 /nfs/dbraw/zinc/18/06/35/1043180635.db2.gz NPAGYBWKWOZFRE-MRXNPFEDSA-N 1 2 350.397 2.713 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)ccn1 ZINC001237463074 1043180640 /nfs/dbraw/zinc/18/06/40/1043180640.db2.gz NPAGYBWKWOZFRE-MRXNPFEDSA-N 1 2 350.397 2.713 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)ccn1 ZINC001237466035 1043182094 /nfs/dbraw/zinc/18/20/94/1043182094.db2.gz QKCFRONVZGIWIW-SZVBFZGTSA-N 1 2 370.478 2.606 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)ccn1 ZINC001237466035 1043182105 /nfs/dbraw/zinc/18/21/05/1043182105.db2.gz QKCFRONVZGIWIW-SZVBFZGTSA-N 1 2 370.478 2.606 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)ccn1 ZINC001237466038 1043182773 /nfs/dbraw/zinc/18/27/73/1043182773.db2.gz QKCFRONVZGIWIW-VDZJLULYSA-N 1 2 370.478 2.606 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)ccn1 ZINC001237466038 1043182781 /nfs/dbraw/zinc/18/27/81/1043182781.db2.gz QKCFRONVZGIWIW-VDZJLULYSA-N 1 2 370.478 2.606 20 30 FFEDLO Cc1ncsc1C[NH+]1CC2(CN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 ZINC001279526059 1043226008 /nfs/dbraw/zinc/22/60/08/1043226008.db2.gz IPXBAPMTKOXVAD-UHFFFAOYSA-N 1 2 372.881 2.935 20 30 FFEDLO N#Cc1ccc2nc(C[N@H+]3CC[C@H](N4Cc5ccccc5NC4=O)C3)cn2c1 ZINC001237608346 1043267973 /nfs/dbraw/zinc/26/79/73/1043267973.db2.gz DRSOMRFUQDNRLZ-SFHVURJKSA-N 1 2 372.432 2.828 20 30 FFEDLO N#Cc1ccc2nc(C[N@@H+]3CC[C@H](N4Cc5ccccc5NC4=O)C3)cn2c1 ZINC001237608346 1043267978 /nfs/dbraw/zinc/26/79/78/1043267978.db2.gz DRSOMRFUQDNRLZ-SFHVURJKSA-N 1 2 372.432 2.828 20 30 FFEDLO N#Cc1ccc2nc(C[N@H+]3CCc4ncc(Br)cc4C3)cn2c1 ZINC001237615597 1043273192 /nfs/dbraw/zinc/27/31/92/1043273192.db2.gz XYBAUWNKUSTPLF-UHFFFAOYSA-N 1 2 368.238 2.922 20 30 FFEDLO N#Cc1ccc2nc(C[N@@H+]3CCc4ncc(Br)cc4C3)cn2c1 ZINC001237615597 1043273200 /nfs/dbraw/zinc/27/32/00/1043273200.db2.gz XYBAUWNKUSTPLF-UHFFFAOYSA-N 1 2 368.238 2.922 20 30 FFEDLO Cc1cccc(C[NH+]2CC3(CN(C(=O)C4(C#N)CCOCC4)C3)C2)c1Cl ZINC001279670052 1043437612 /nfs/dbraw/zinc/43/76/12/1043437612.db2.gz CGMGUSAPJKYGFI-UHFFFAOYSA-N 1 2 373.884 2.613 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@@H+](Cc1ccc(C#N)cc1Cl)CC2 ZINC001238086496 1043524322 /nfs/dbraw/zinc/52/43/22/1043524322.db2.gz HYFVSGBEKQFGMD-UHFFFAOYSA-N 1 2 358.829 2.643 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@H+](Cc1ccc(C#N)cc1Cl)CC2 ZINC001238086496 1043524329 /nfs/dbraw/zinc/52/43/29/1043524329.db2.gz HYFVSGBEKQFGMD-UHFFFAOYSA-N 1 2 358.829 2.643 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC001238085016 1043524399 /nfs/dbraw/zinc/52/43/99/1043524399.db2.gz SXCWSOFPXONVSR-LSDHHAIUSA-N 1 2 365.861 2.672 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC001238085016 1043524405 /nfs/dbraw/zinc/52/44/05/1043524405.db2.gz SXCWSOFPXONVSR-LSDHHAIUSA-N 1 2 365.861 2.672 20 30 FFEDLO C=CCCC[NH+]1CC2(CCN2S(=O)(=O)c2cnc3ccccc3c2)C1 ZINC001278254926 1043786703 /nfs/dbraw/zinc/78/67/03/1043786703.db2.gz BOWXQMHHSAWCDB-UHFFFAOYSA-N 1 2 357.479 2.650 20 30 FFEDLO CCCCCCC[N@@H+]1Cc2ccnn2CC[C@@H]1C(=O)NC1(C#N)CCC1 ZINC001279864268 1043795294 /nfs/dbraw/zinc/79/52/94/1043795294.db2.gz ATELPQRHHJQWLX-GOSISDBHSA-N 1 2 357.502 2.990 20 30 FFEDLO CCCCCCC[N@H+]1Cc2ccnn2CC[C@@H]1C(=O)NC1(C#N)CCC1 ZINC001279864268 1043795305 /nfs/dbraw/zinc/79/53/05/1043795305.db2.gz ATELPQRHHJQWLX-GOSISDBHSA-N 1 2 357.502 2.990 20 30 FFEDLO COc1ccc(Cl)cc1C[NH+]1CC2(C[C@H]2C(=O)NC2(C#N)CCC2)C1 ZINC001279934016 1043942198 /nfs/dbraw/zinc/94/21/98/1043942198.db2.gz UJZFWBAUMDOOEG-HNNXBMFYSA-N 1 2 359.857 2.733 20 30 FFEDLO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@H]2C[C@@]21C(=O)NCC(F)F ZINC001279996305 1044060620 /nfs/dbraw/zinc/06/06/20/1044060620.db2.gz HQTPEMYESJTNAJ-BEFAXECRSA-N 1 2 350.409 2.987 20 30 FFEDLO C=C(C)COc1ccccc1C[N@H+]1CC[C@@H]2C[C@@]21C(=O)NCC(F)F ZINC001279996305 1044060632 /nfs/dbraw/zinc/06/06/32/1044060632.db2.gz HQTPEMYESJTNAJ-BEFAXECRSA-N 1 2 350.409 2.987 20 30 FFEDLO Cc1noc(NC(=O)[C@@]23C[C@@H]2C[N@H+](Cc2ccc(F)cc2C#N)C3)c1C ZINC001280095055 1044198463 /nfs/dbraw/zinc/19/84/63/1044198463.db2.gz ACPHKYVUYZHWJW-DNVCBOLYSA-N 1 2 354.385 2.763 20 30 FFEDLO Cc1noc(NC(=O)[C@@]23C[C@@H]2C[N@@H+](Cc2ccc(F)cc2C#N)C3)c1C ZINC001280095055 1044198469 /nfs/dbraw/zinc/19/84/69/1044198469.db2.gz ACPHKYVUYZHWJW-DNVCBOLYSA-N 1 2 354.385 2.763 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3cccc(F)c3F)CC2)cc1 ZINC001313093910 1044233304 /nfs/dbraw/zinc/23/33/04/1044233304.db2.gz UHQIOYVJDLXCIK-UHFFFAOYSA-N 1 2 370.403 2.864 20 30 FFEDLO N#CCCCCN1CC[N@@H+](CCCC(F)(F)F)C[C@]2(CCCC(=O)N2)C1 ZINC001280186836 1044371580 /nfs/dbraw/zinc/37/15/80/1044371580.db2.gz WGYVRPJDWZGPEL-KRWDZBQOSA-N 1 2 374.451 2.679 20 30 FFEDLO N#CCCCCN1CC[N@H+](CCCC(F)(F)F)C[C@]2(CCCC(=O)N2)C1 ZINC001280186836 1044371589 /nfs/dbraw/zinc/37/15/89/1044371589.db2.gz WGYVRPJDWZGPEL-KRWDZBQOSA-N 1 2 374.451 2.679 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3ccc(C4(C#N)CC4)cc3)cn2)CC1 ZINC001241559751 1044545944 /nfs/dbraw/zinc/54/59/44/1044545944.db2.gz CTYONZDENHIBDX-UHFFFAOYSA-N 1 2 361.493 2.963 20 30 FFEDLO CN(C(=O)[C@H]1CC12C[NH+](Cc1ccc(C#N)cc1F)C2)C1CC(F)(F)C1 ZINC001280323224 1044605691 /nfs/dbraw/zinc/60/56/91/1044605691.db2.gz KRZCYVHDNPJVQC-OAHLLOKOSA-N 1 2 363.383 2.775 20 30 FFEDLO CC[C@H](C)OCC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001316729554 1044852826 /nfs/dbraw/zinc/85/28/26/1044852826.db2.gz ODVVFLUGRCDGPY-ZOCIIQOWSA-N 1 2 361.461 2.982 20 30 FFEDLO CC[C@H](C)OCC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001316729554 1044852841 /nfs/dbraw/zinc/85/28/41/1044852841.db2.gz ODVVFLUGRCDGPY-ZOCIIQOWSA-N 1 2 361.461 2.982 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001281761940 1045085779 /nfs/dbraw/zinc/08/57/79/1045085779.db2.gz HXIXITZNOLMFAC-IIDMSEBBSA-N 1 2 368.481 2.822 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001281794795 1045145334 /nfs/dbraw/zinc/14/53/34/1045145334.db2.gz STGSETVUCTZNIV-OWCLPIDISA-N 1 2 354.454 2.513 20 30 FFEDLO C=CCn1cnn(C[N@@H+]2C[C@H](C(=O)NCCCC)CC[C@@H]2C)c1=S ZINC001318015009 1045193410 /nfs/dbraw/zinc/19/34/10/1045193410.db2.gz XQMGSULIPHPPNA-LSDHHAIUSA-N 1 2 351.520 2.574 20 30 FFEDLO C=CCn1cnn(C[N@H+]2C[C@H](C(=O)NCCCC)CC[C@@H]2C)c1=S ZINC001318015009 1045193419 /nfs/dbraw/zinc/19/34/19/1045193419.db2.gz XQMGSULIPHPPNA-LSDHHAIUSA-N 1 2 351.520 2.574 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CCc2cccs2)CC1 ZINC001539429739 1070635536 /nfs/dbraw/zinc/63/55/36/1070635536.db2.gz CCUYSZCLOASFSC-MRXNPFEDSA-N 1 2 357.527 2.851 20 30 FFEDLO C#CCOCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC001319774432 1045267800 /nfs/dbraw/zinc/26/78/00/1045267800.db2.gz XVWWHTXXNHUGSY-QGZVFWFLSA-N 1 2 364.445 2.826 20 30 FFEDLO C#CCOCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC001319774432 1045267809 /nfs/dbraw/zinc/26/78/09/1045267809.db2.gz XVWWHTXXNHUGSY-QGZVFWFLSA-N 1 2 364.445 2.826 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)C1 ZINC001320320081 1045389616 /nfs/dbraw/zinc/38/96/16/1045389616.db2.gz DDHCOFGQKUQOKD-KRWDZBQOSA-N 1 2 358.417 2.535 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)C1 ZINC001320320081 1045389623 /nfs/dbraw/zinc/38/96/23/1045389623.db2.gz DDHCOFGQKUQOKD-KRWDZBQOSA-N 1 2 358.417 2.535 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H]1CC ZINC001282259113 1045454676 /nfs/dbraw/zinc/45/46/76/1045454676.db2.gz WAVVXCBUIYNOBC-WCXIOVBPSA-N 1 2 372.513 2.622 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)C1 ZINC001323728291 1045701399 /nfs/dbraw/zinc/70/13/99/1045701399.db2.gz KGVAXGCONKOWJT-RDJZCZTQSA-N 1 2 369.421 2.827 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)C1 ZINC001323728291 1045701407 /nfs/dbraw/zinc/70/14/07/1045701407.db2.gz KGVAXGCONKOWJT-RDJZCZTQSA-N 1 2 369.421 2.827 20 30 FFEDLO Cc1cc(C)c(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c(C)[nH+]1 ZINC001539781467 1070698103 /nfs/dbraw/zinc/69/81/03/1070698103.db2.gz DBDUPBXHRZMWMU-UHFFFAOYSA-N 1 2 352.413 2.980 20 30 FFEDLO C=C1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001539849656 1070711740 /nfs/dbraw/zinc/71/17/40/1070711740.db2.gz ZRLDBDGDWJZDKA-KRWDZBQOSA-N 1 2 361.534 2.744 20 30 FFEDLO C[C@H](C[N@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001322161165 1045973692 /nfs/dbraw/zinc/97/36/92/1045973692.db2.gz QNGHTCRPZHCFRA-VOBQZIQPSA-N 1 2 366.440 2.833 20 30 FFEDLO C[C@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001322161165 1045973698 /nfs/dbraw/zinc/97/36/98/1045973698.db2.gz QNGHTCRPZHCFRA-VOBQZIQPSA-N 1 2 366.440 2.833 20 30 FFEDLO C=CCCCn1c(CC)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001540005225 1070740599 /nfs/dbraw/zinc/74/05/99/1070740599.db2.gz DXJRNBMKNOKDPA-UHFFFAOYSA-N 1 2 360.531 2.894 20 30 FFEDLO C=CCN(c1nnc(CC2CC2)n1Cc1ccc(N(C)C)[nH+]c1)C1CC1 ZINC001540113976 1070767829 /nfs/dbraw/zinc/76/78/29/1070767829.db2.gz FYTVJCTVUXJWIQ-UHFFFAOYSA-N 1 2 352.486 2.895 20 30 FFEDLO CC#CCCCC(=O)N(CCC)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001284814790 1046657571 /nfs/dbraw/zinc/65/75/71/1046657571.db2.gz UDDJPRJQDDZSMJ-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO CC#CCCCC(=O)N(CCC)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001284814790 1046657576 /nfs/dbraw/zinc/65/75/76/1046657576.db2.gz UDDJPRJQDDZSMJ-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CC)CC2)CC1 ZINC001286474725 1047120758 /nfs/dbraw/zinc/12/07/58/1047120758.db2.gz KDHYNHLIODGRPC-UHFFFAOYSA-N 1 2 374.492 2.762 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2CC2(SC)CC2)CC1 ZINC001286476239 1047120982 /nfs/dbraw/zinc/12/09/82/1047120982.db2.gz RXUFSCAOZLYOBJ-UHFFFAOYSA-N 1 2 367.522 2.596 20 30 FFEDLO C=CCCCC(=O)N[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC001288229364 1047426823 /nfs/dbraw/zinc/42/68/23/1047426823.db2.gz LSQNCFSQHBCERH-BFYDXBDKSA-N 1 2 360.502 2.527 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001289914501 1047789890 /nfs/dbraw/zinc/78/98/90/1047789890.db2.gz FQVUMHMDCCNSQS-QZTJIDSGSA-N 1 2 358.486 2.632 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001289914501 1047789894 /nfs/dbraw/zinc/78/98/94/1047789894.db2.gz FQVUMHMDCCNSQS-QZTJIDSGSA-N 1 2 358.486 2.632 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)OCc2ncc(C#N)cn2)c1 ZINC001331474684 1047958976 /nfs/dbraw/zinc/95/89/76/1047958976.db2.gz KDGXYVQYRNWWAA-SFHVURJKSA-N 1 2 350.422 2.755 20 30 FFEDLO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)OCc2ncc(C#N)cn2)c1 ZINC001331474684 1047958981 /nfs/dbraw/zinc/95/89/81/1047958981.db2.gz KDGXYVQYRNWWAA-SFHVURJKSA-N 1 2 350.422 2.755 20 30 FFEDLO Cc1c(C#N)cccc1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001331638108 1048040829 /nfs/dbraw/zinc/04/08/29/1048040829.db2.gz ZFWUNYUGSOXQIO-UHFFFAOYSA-N 1 2 352.463 2.745 20 30 FFEDLO C[C@H]1C[NH+](Cc2cnc(NC(=O)OC(C)(C)C)s2)C[C@H](C)N1CC#N ZINC001332722945 1048528673 /nfs/dbraw/zinc/52/86/73/1048528673.db2.gz CZRTYWVXZAZQQD-STQMWFEESA-N 1 2 365.503 2.908 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@@H]3CCC[C@H](C(F)(F)F)O3)CC2)cn1 ZINC001333050043 1048689891 /nfs/dbraw/zinc/68/98/91/1048689891.db2.gz LSLQGGMQEMSHPU-JKSUJKDBSA-N 1 2 354.376 2.575 20 30 FFEDLO C[C@H](C#N)CN(C)c1nnc(-c2ccc[nH]2)n1CCc1cn2ccccc2[nH+]1 ZINC001541111193 1071054750 /nfs/dbraw/zinc/05/47/50/1071054750.db2.gz GTVDWVSZGNLUGU-OAHLLOKOSA-N 1 2 374.452 2.759 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001292281286 1049241337 /nfs/dbraw/zinc/24/13/37/1049241337.db2.gz VBGRVZYIVHHYLS-UWJYYQICSA-N 1 2 370.497 2.526 20 30 FFEDLO CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001292437409 1049345119 /nfs/dbraw/zinc/34/51/19/1049345119.db2.gz LPFWVOGBHIPRSD-HNNXBMFYSA-N 1 2 356.426 2.888 20 30 FFEDLO C#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC001339706838 1050143547 /nfs/dbraw/zinc/14/35/47/1050143547.db2.gz NVALFGBQTWLDQW-GUYCJALGSA-N 1 2 370.840 2.566 20 30 FFEDLO C=CCn1c(N(Cc2ccccc2)C(C)C)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339857740 1050275457 /nfs/dbraw/zinc/27/54/57/1050275457.db2.gz YDOFUVLZDXYWRC-WIYYLYMNSA-N 1 2 369.513 2.791 20 30 FFEDLO C=CCn1c(N(Cc2ccccc2)C(C)C)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339857740 1050275458 /nfs/dbraw/zinc/27/54/58/1050275458.db2.gz YDOFUVLZDXYWRC-WIYYLYMNSA-N 1 2 369.513 2.791 20 30 FFEDLO C=CCn1c(C[NH+]2CCCC2)nnc1N(C)c1cc(OC)cc(OC)c1 ZINC001339868785 1050286229 /nfs/dbraw/zinc/28/62/29/1050286229.db2.gz YJOAXIZUFIUEAX-UHFFFAOYSA-N 1 2 357.458 2.845 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](CCC)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001341740073 1050357974 /nfs/dbraw/zinc/35/79/74/1050357974.db2.gz QZNUKLPIRMCMPU-QKLQHJQFSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](CCC)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001341740073 1050357987 /nfs/dbraw/zinc/35/79/87/1050357987.db2.gz QZNUKLPIRMCMPU-QKLQHJQFSA-N 1 2 361.534 2.782 20 30 FFEDLO C=CCn1c([C@H](CC)OCC)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001340475360 1050870935 /nfs/dbraw/zinc/87/09/35/1050870935.db2.gz WJEPQZQISVUPMH-SFHVURJKSA-N 1 2 370.501 2.669 20 30 FFEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H](O)c3ccc(C#N)cc3)n2)C1 ZINC001542203684 1071188542 /nfs/dbraw/zinc/18/85/42/1071188542.db2.gz OTXFJRNUKUFYGC-SUMWQHHRSA-N 1 2 370.478 2.919 20 30 FFEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H](O)c3ccc(C#N)cc3)n2)C1 ZINC001542203684 1071188546 /nfs/dbraw/zinc/18/85/46/1071188546.db2.gz OTXFJRNUKUFYGC-SUMWQHHRSA-N 1 2 370.478 2.919 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc([C@@]2(C)C[C@H](O)C[N@H+]2C)n1CC=C ZINC001340571299 1050957544 /nfs/dbraw/zinc/95/75/44/1050957544.db2.gz MRYPSALTKHFMPS-GHTZIAJQSA-N 1 2 367.497 2.568 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc([C@@]2(C)C[C@H](O)C[N@@H+]2C)n1CC=C ZINC001340571299 1050957547 /nfs/dbraw/zinc/95/75/47/1050957547.db2.gz MRYPSALTKHFMPS-GHTZIAJQSA-N 1 2 367.497 2.568 20 30 FFEDLO CCOCCCn1c(C[NH+]2CCCCC2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC001342460705 1051058214 /nfs/dbraw/zinc/05/82/14/1051058214.db2.gz YQAIIUQXSBUOLC-MSOLQXFVSA-N 1 2 374.533 2.819 20 30 FFEDLO C=C(C)Cn1c(N2CCCC3(CC3)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001342521442 1051124851 /nfs/dbraw/zinc/12/48/51/1051124851.db2.gz GDWBYBQQRCEING-VQIMIIECSA-N 1 2 359.518 2.536 20 30 FFEDLO C=C(C)Cn1c(N2CCCC3(CC3)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001342521442 1051124859 /nfs/dbraw/zinc/12/48/59/1051124859.db2.gz GDWBYBQQRCEING-VQIMIIECSA-N 1 2 359.518 2.536 20 30 FFEDLO C=C(C)Cn1c(N2CCCC3(CC3)CC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001342521440 1051125096 /nfs/dbraw/zinc/12/50/96/1051125096.db2.gz GDWBYBQQRCEING-LPHOPBHVSA-N 1 2 359.518 2.536 20 30 FFEDLO C=C(C)Cn1c(N2CCCC3(CC3)CC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001342521440 1051125100 /nfs/dbraw/zinc/12/51/00/1051125100.db2.gz GDWBYBQQRCEING-LPHOPBHVSA-N 1 2 359.518 2.536 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc([C@]2(C)C[C@H](O)C[N@@H+]2C)n1CC ZINC001342562782 1051166825 /nfs/dbraw/zinc/16/68/25/1051166825.db2.gz KPRZDDYSMIZXDJ-JXFKEZNVSA-N 1 2 373.476 2.541 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc([C@]2(C)C[C@H](O)C[N@H+]2C)n1CC ZINC001342562782 1051166832 /nfs/dbraw/zinc/16/68/32/1051166832.db2.gz KPRZDDYSMIZXDJ-JXFKEZNVSA-N 1 2 373.476 2.541 20 30 FFEDLO C=C(C)CN(C)c1nnc(Cc2[nH+]ccn2C)n1CCc1ccccc1 ZINC001340885901 1051218347 /nfs/dbraw/zinc/21/83/47/1051218347.db2.gz IACUWBOZXSHFEB-UHFFFAOYSA-N 1 2 350.470 2.857 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001341028099 1051365333 /nfs/dbraw/zinc/36/53/33/1051365333.db2.gz ISUASRSFBQMTCK-DLBZAZTESA-N 1 2 370.497 2.515 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc([C@H]3C[N@H+](C(C)C)CCO3)n2CC(=C)C)C1 ZINC001343007799 1051623031 /nfs/dbraw/zinc/62/30/31/1051623031.db2.gz UUVVVDFQSXMSKY-RBUKOAKNSA-N 1 2 371.529 2.876 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc([C@H]3C[N@@H+](C(C)C)CCO3)n2CC(=C)C)C1 ZINC001343007799 1051623036 /nfs/dbraw/zinc/62/30/36/1051623036.db2.gz UUVVVDFQSXMSKY-RBUKOAKNSA-N 1 2 371.529 2.876 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@H](c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2CC2)C1 ZINC001345100297 1052256621 /nfs/dbraw/zinc/25/66/21/1052256621.db2.gz UVSVBXLTWODFEZ-FXAWDEMLSA-N 1 2 372.517 2.600 20 30 FFEDLO CC(C)[N@H+]1CCO[C@H](c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2CC2)C1 ZINC001345100297 1052256626 /nfs/dbraw/zinc/25/66/26/1052256626.db2.gz UVSVBXLTWODFEZ-FXAWDEMLSA-N 1 2 372.517 2.600 20 30 FFEDLO COC(=O)c1ccc([C@@H](C)[NH+]2CCN(c3ccc(F)cc3C#N)CC2)o1 ZINC001308008853 1052381854 /nfs/dbraw/zinc/38/18/54/1052381854.db2.gz SNJCLEITUCZWON-CYBMUJFWSA-N 1 2 357.385 2.960 20 30 FFEDLO CCN(c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@@H]1CCCO1)C(C)C ZINC001345322844 1052385522 /nfs/dbraw/zinc/38/55/22/1052385522.db2.gz UOVFJKONORXEQU-SFHVURJKSA-N 1 2 374.533 2.785 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCO[C@@](C)(C(F)F)C1 ZINC001343772103 1052411244 /nfs/dbraw/zinc/41/12/44/1052411244.db2.gz LZCMXOKWMXAVLZ-GOSISDBHSA-N 1 2 369.460 2.701 20 30 FFEDLO N#Cc1cccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)n1 ZINC001308617677 1052477366 /nfs/dbraw/zinc/47/73/66/1052477366.db2.gz PMIGLOHEGRLMMT-UHFFFAOYSA-N 1 2 354.417 2.695 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc(C[NH+]2CCCCC2)n1C[C@@H]1CCCCO1 ZINC001345587961 1052524882 /nfs/dbraw/zinc/52/48/82/1052524882.db2.gz VUUBRSHSUIXWAE-MOPGFXCFSA-N 1 2 371.529 2.825 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001344122787 1052609970 /nfs/dbraw/zinc/60/99/70/1052609970.db2.gz CTVSYABBOLDMLI-PXNSSMCTSA-N 1 2 374.533 2.846 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001344122787 1052609973 /nfs/dbraw/zinc/60/99/73/1052609973.db2.gz CTVSYABBOLDMLI-PXNSSMCTSA-N 1 2 374.533 2.846 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001345983795 1052695205 /nfs/dbraw/zinc/69/52/05/1052695205.db2.gz HLWWAOIBTCUWNT-UONOGXRCSA-N 1 2 373.423 2.606 20 30 FFEDLO CC12CC(C1)CN2c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1 ZINC001346859938 1053385807 /nfs/dbraw/zinc/38/58/07/1053385807.db2.gz MMTOFEJQTKZRMN-UHFFFAOYSA-N 1 2 354.502 2.770 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc(C[NH+]2CCCC2)n1C[C@H]1CCOC1 ZINC001346917997 1053440803 /nfs/dbraw/zinc/44/08/03/1053440803.db2.gz RHBDLQXMJDMQDM-QZTJIDSGSA-N 1 2 359.518 2.845 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](C[C@@H]3CCC[C@H](C(F)(F)F)O3)CC2)n1 ZINC001335803313 1053575476 /nfs/dbraw/zinc/57/54/76/1053575476.db2.gz YANHKDXERIDXGI-LSDHHAIUSA-N 1 2 354.376 2.575 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)nn1 ZINC001347357938 1053886144 /nfs/dbraw/zinc/88/61/44/1053886144.db2.gz UGAFWOXMFUUDTE-IBGZPJMESA-N 1 2 351.454 2.802 20 30 FFEDLO C=CCOc1ccc(/C=C/C(=O)NCc2coc(C[NH+](C)C)n2)cc1OC ZINC001347450351 1053995655 /nfs/dbraw/zinc/99/56/55/1053995655.db2.gz VWOLLSUBSSUFLZ-VQHVLOKHSA-N 1 2 371.437 2.639 20 30 FFEDLO C=CC(C)(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3[nH+]ccn31)C2 ZINC001347684168 1054226343 /nfs/dbraw/zinc/22/63/43/1054226343.db2.gz HJOQVBPFEIDFRH-OAGGEKHMSA-N 1 2 366.465 2.798 20 30 FFEDLO CC1(C(=O)OCC#Cc2csc(C[NH+]3CCOCC3)c2)CC(F)(F)C1 ZINC001347949608 1054491973 /nfs/dbraw/zinc/49/19/73/1054491973.db2.gz ZQXRGJSKNXLPMB-UHFFFAOYSA-N 1 2 369.433 2.910 20 30 FFEDLO N#CC1(CNC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)CCOCC1 ZINC001348022537 1054565594 /nfs/dbraw/zinc/56/55/94/1054565594.db2.gz NGBHGGKUHAJCEQ-GOSISDBHSA-N 1 2 359.445 2.617 20 30 FFEDLO N#CC1(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CCOCC1 ZINC001348022537 1054565616 /nfs/dbraw/zinc/56/56/16/1054565616.db2.gz NGBHGGKUHAJCEQ-GOSISDBHSA-N 1 2 359.445 2.617 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2C[C@H]2CCOC2)C1 ZINC001349036666 1055060937 /nfs/dbraw/zinc/06/09/37/1055060937.db2.gz YYCNGZYQFBTAKU-RTBURBONSA-N 1 2 371.529 2.540 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H](OC)CC[C@@H]1C ZINC001351950076 1055083050 /nfs/dbraw/zinc/08/30/50/1055083050.db2.gz VOCLKRXYMMYOLU-WMZOPIPTSA-N 1 2 372.517 2.561 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@@H](CO)[C@H]1C ZINC001351980905 1055098514 /nfs/dbraw/zinc/09/85/14/1055098514.db2.gz KHMJFDAYVCOELP-FGTMMUONSA-N 1 2 372.517 2.893 20 30 FFEDLO C=C(C)c1cccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC001337962624 1055130693 /nfs/dbraw/zinc/13/06/93/1055130693.db2.gz QSEASHVNGHNFDO-MAUKXSAKSA-N 1 2 352.438 2.964 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccc(F)cc2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001352061742 1055163493 /nfs/dbraw/zinc/16/34/93/1055163493.db2.gz AUJYDEYPBFQYJE-WIBUTAKZSA-N 1 2 373.476 2.712 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccc(F)cc2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001352061742 1055163498 /nfs/dbraw/zinc/16/34/98/1055163498.db2.gz AUJYDEYPBFQYJE-WIBUTAKZSA-N 1 2 373.476 2.712 20 30 FFEDLO CCSCC[C@@H](C)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001338138403 1055262605 /nfs/dbraw/zinc/26/26/05/1055262605.db2.gz KXXNKKYIMVEKFX-OAHLLOKOSA-N 1 2 364.563 2.876 20 30 FFEDLO C=CCn1c(Nc2ccn(CC)n2)nnc1C1CC[NH+](CCC#N)CC1 ZINC001356083200 1055275152 /nfs/dbraw/zinc/27/51/52/1055275152.db2.gz UPYUXBGEPPNNRV-UHFFFAOYSA-N 1 2 354.462 2.517 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2cn(-c3ccccc3F)nc2C)CC1 ZINC000848913672 1055356913 /nfs/dbraw/zinc/35/69/13/1055356913.db2.gz BIHMZCUFZVALOE-UHFFFAOYSA-N 1 2 356.401 2.599 20 30 FFEDLO CCn1ccnc1C(C#N)=C(O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC001349702913 1055423501 /nfs/dbraw/zinc/42/35/01/1055423501.db2.gz STDRJUBOBFKSHH-IBGZPJMESA-N 1 2 365.481 2.923 20 30 FFEDLO Cc1cccc2c1CCN2c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001350724070 1055910278 /nfs/dbraw/zinc/91/02/78/1055910278.db2.gz IMUWGBQGOPPBMP-UHFFFAOYSA-N 1 2 350.470 2.911 20 30 FFEDLO N#Cc1cc(Br)ccc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001350900732 1055990190 /nfs/dbraw/zinc/99/01/90/1055990190.db2.gz RWJWIKOLBMALBZ-UHFFFAOYSA-N 1 2 371.238 2.678 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(CC)C[C@@H]1CCCO1 ZINC001338994978 1055999595 /nfs/dbraw/zinc/99/95/95/1055999595.db2.gz KUGGSKNJOYIRBR-SFHVURJKSA-N 1 2 372.517 2.562 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2c2cccs2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339067816 1056063473 /nfs/dbraw/zinc/06/34/73/1056063473.db2.gz DNVIGBBCSVIPFK-SPYBWZPUSA-N 1 2 373.526 2.779 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2c2cccs2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339067816 1056063486 /nfs/dbraw/zinc/06/34/86/1056063486.db2.gz DNVIGBBCSVIPFK-SPYBWZPUSA-N 1 2 373.526 2.779 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(Cc2[nH+]ccn2Cc2ccccc2)n1CC1CC1 ZINC001351333504 1056204489 /nfs/dbraw/zinc/20/44/89/1056204489.db2.gz CXEGPWXDFTWRRG-KRWDZBQOSA-N 1 2 374.492 2.982 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCc2c(F)cc(F)cc2C1 ZINC001339212738 1056210524 /nfs/dbraw/zinc/21/05/24/1056210524.db2.gz YRXCBHAFQBOVSD-UHFFFAOYSA-N 1 2 370.407 2.629 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(C)(COC)CC1 ZINC001339502659 1056521635 /nfs/dbraw/zinc/52/16/35/1056521635.db2.gz VMZVTSMWPBALKC-UHFFFAOYSA-N 1 2 374.533 2.644 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C)n2Cc2cc3ccccc3s2)CC1 ZINC001359029765 1056665692 /nfs/dbraw/zinc/66/56/92/1056665692.db2.gz HJIFDGJGLZBYMD-UHFFFAOYSA-N 1 2 351.479 2.605 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCC[C@H]2OC)CC1 ZINC001359035177 1056667207 /nfs/dbraw/zinc/66/72/07/1056667207.db2.gz NALZVQFUZHKOLK-RBUKOAKNSA-N 1 2 371.529 2.506 20 30 FFEDLO C=CC1CCN(c2nnc(C3CCC3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001359178500 1056772897 /nfs/dbraw/zinc/77/28/97/1056772897.db2.gz SZRHZWWRWUZRBX-MRXNPFEDSA-N 1 2 359.518 2.669 20 30 FFEDLO C=CCN(C)c1nnc(C(C)C)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001359231471 1056846483 /nfs/dbraw/zinc/84/64/83/1056846483.db2.gz XFPNWLDMRMXLRQ-LJQANCHMSA-N 1 2 369.513 2.925 20 30 FFEDLO C=CCN(C)c1nnc(C(C)C)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001359231471 1056846490 /nfs/dbraw/zinc/84/64/90/1056846490.db2.gz XFPNWLDMRMXLRQ-LJQANCHMSA-N 1 2 369.513 2.925 20 30 FFEDLO CC[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001545402771 1071778934 /nfs/dbraw/zinc/77/89/34/1071778934.db2.gz FBYPUCMZTBVPAW-SJORKVTESA-N 1 2 374.533 2.642 20 30 FFEDLO C=CCN(CC=C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1 ZINC001519700099 1058971037 /nfs/dbraw/zinc/97/10/37/1058971037.db2.gz MRIPYZHXWNYHQW-UHFFFAOYSA-N 1 2 354.502 2.960 20 30 FFEDLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(C#N)c(Cl)n3)CC2)c1 ZINC001514852631 1059126073 /nfs/dbraw/zinc/12/60/73/1059126073.db2.gz FKFZOVKQDCOONG-UHFFFAOYSA-N 1 2 354.841 2.873 20 30 FFEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC001452938323 1059315527 /nfs/dbraw/zinc/31/55/27/1059315527.db2.gz WUFSZNWCJKWJHG-UHFFFAOYSA-N 1 2 365.433 2.664 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2C[C@H]2CCC(F)(F)C2)CC1 ZINC001300701522 1059410577 /nfs/dbraw/zinc/41/05/77/1059410577.db2.gz WBNCCGDHLGFRAD-INIZCTEOSA-N 1 2 365.472 2.667 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1ccccc1 ZINC001520252046 1059536899 /nfs/dbraw/zinc/53/68/99/1059536899.db2.gz GLVNHLPRGFMEAC-SFHVURJKSA-N 1 2 355.486 2.882 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1ccccc1 ZINC001520252046 1059536915 /nfs/dbraw/zinc/53/69/15/1059536915.db2.gz GLVNHLPRGFMEAC-SFHVURJKSA-N 1 2 355.486 2.882 20 30 FFEDLO CON=CC(=O)N1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001454600261 1059580540 /nfs/dbraw/zinc/58/05/40/1059580540.db2.gz MQJNCKLFNWARKX-UHFFFAOYSA-N 1 2 367.449 2.542 20 30 FFEDLO C#CCC(C)(C)c1nnc(N2CCc3cc[nH+]c(N(C)C)c3C2)n1CC=C ZINC001355876177 1060682806 /nfs/dbraw/zinc/68/28/06/1060682806.db2.gz KUYRUUOEYMYKCL-UHFFFAOYSA-N 1 2 364.497 2.789 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@H]1c1cccs1 ZINC001355920095 1060727336 /nfs/dbraw/zinc/72/73/36/1060727336.db2.gz NBDXDAKMCMIRLE-ILXRZTDVSA-N 1 2 359.499 2.605 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@H]1c1cccs1 ZINC001355920095 1060727352 /nfs/dbraw/zinc/72/73/52/1060727352.db2.gz NBDXDAKMCMIRLE-ILXRZTDVSA-N 1 2 359.499 2.605 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCOc2ccc(O)cc2C1 ZINC001355928803 1060735786 /nfs/dbraw/zinc/73/57/86/1060735786.db2.gz FGLLUSVLDLXKEV-QGZVFWFLSA-N 1 2 369.469 2.726 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCOc2ccc(O)cc2C1 ZINC001355928803 1060735802 /nfs/dbraw/zinc/73/58/02/1060735802.db2.gz FGLLUSVLDLXKEV-QGZVFWFLSA-N 1 2 369.469 2.726 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 ZINC001355969249 1060770378 /nfs/dbraw/zinc/77/03/78/1060770378.db2.gz QKSTYWHYPPHHPN-SJLPKXTDSA-N 1 2 361.534 2.683 20 30 FFEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001459778492 1060816347 /nfs/dbraw/zinc/81/63/47/1060816347.db2.gz RNFONMDMVLBKGF-NEPJUHHUSA-N 1 2 351.385 2.953 20 30 FFEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001459778492 1060816364 /nfs/dbraw/zinc/81/63/64/1060816364.db2.gz RNFONMDMVLBKGF-NEPJUHHUSA-N 1 2 351.385 2.953 20 30 FFEDLO COc1cc(C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)ccc1C#N ZINC000849902067 1060887848 /nfs/dbraw/zinc/88/78/48/1060887848.db2.gz QXJQSOBMGWVNHW-UHFFFAOYSA-N 1 2 366.417 2.756 20 30 FFEDLO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCCn2cc[nH+]c2)n1 ZINC000542957249 1061003857 /nfs/dbraw/zinc/00/38/57/1061003857.db2.gz LYIHMTZWMYSZSM-UHFFFAOYSA-N 1 2 369.816 2.806 20 30 FFEDLO C[C@@H](C#N)N(C)C(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001460493397 1061004928 /nfs/dbraw/zinc/00/49/28/1061004928.db2.gz BQOFCMPMWDSLQJ-WFASDCNBSA-N 1 2 350.260 2.956 20 30 FFEDLO C[N@@H+](Cc1nnc2n1CCC[C@H]2C(F)(F)F)C[C@@H](O)CC1(C#N)CCC1 ZINC001460780396 1061099919 /nfs/dbraw/zinc/09/99/19/1061099919.db2.gz MACMSCYUSQCWLN-QWHCGFSZSA-N 1 2 371.407 2.594 20 30 FFEDLO C[N@H+](Cc1nnc2n1CCC[C@H]2C(F)(F)F)C[C@@H](O)CC1(C#N)CCC1 ZINC001460780396 1061099930 /nfs/dbraw/zinc/09/99/30/1061099930.db2.gz MACMSCYUSQCWLN-QWHCGFSZSA-N 1 2 371.407 2.594 20 30 FFEDLO C[C@@]1(C(=O)OCC#Cc2csc(C[NH+]3CCOCC3)c2)CC1(F)F ZINC001526991943 1061349722 /nfs/dbraw/zinc/34/97/22/1061349722.db2.gz HTZYHAWSUIDQCE-INIZCTEOSA-N 1 2 355.406 2.520 20 30 FFEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cn(-c2ccc(F)cc2)nn1 ZINC001462290174 1061572400 /nfs/dbraw/zinc/57/24/00/1061572400.db2.gz AMRPJIXMOMNTTO-UHFFFAOYSA-N 1 2 365.412 2.927 20 30 FFEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cn(-c2ccc(F)cc2)nn1 ZINC001462290174 1061572422 /nfs/dbraw/zinc/57/24/22/1061572422.db2.gz AMRPJIXMOMNTTO-UHFFFAOYSA-N 1 2 365.412 2.927 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001462459342 1061632613 /nfs/dbraw/zinc/63/26/13/1061632613.db2.gz LKXGUHBVWFGIFB-FQEVSTJZSA-N 1 2 359.433 2.992 20 30 FFEDLO C=CCC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCn2cc[nH+]c2)C3)CCC1 ZINC001522173578 1061667397 /nfs/dbraw/zinc/66/73/97/1061667397.db2.gz PZKGUIPVHMUYSR-SQNIBIBYSA-N 1 2 370.497 2.658 20 30 FFEDLO C=CCC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001522275114 1061851987 /nfs/dbraw/zinc/85/19/87/1061851987.db2.gz VBKGOVSUNYJVFO-VQHPVUNQSA-N 1 2 358.486 2.685 20 30 FFEDLO N#Cc1ccccc1S(=O)(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001463758161 1062246193 /nfs/dbraw/zinc/24/61/93/1062246193.db2.gz HQZBBDZCVFOHJC-UHFFFAOYSA-N 1 2 372.837 2.876 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1C[C@H](C)OC2(CCCC2)C1 ZINC001523797143 1062628113 /nfs/dbraw/zinc/62/81/13/1062628113.db2.gz SNAIVPDRCGKTBU-KRWDZBQOSA-N 1 2 359.518 2.988 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@H+](Cc2ncnn2C(C)(C)C)[C@@H]1CC ZINC001479640693 1062691131 /nfs/dbraw/zinc/69/11/31/1062691131.db2.gz VYTIPRYUFPIIJC-DLBZAZTESA-N 1 2 359.518 2.696 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ncnn2C(C)(C)C)[C@@H]1CC ZINC001479640693 1062691141 /nfs/dbraw/zinc/69/11/41/1062691141.db2.gz VYTIPRYUFPIIJC-DLBZAZTESA-N 1 2 359.518 2.696 20 30 FFEDLO COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1Cl ZINC001524045254 1062704828 /nfs/dbraw/zinc/70/48/28/1062704828.db2.gz NIZPCHIKCZKKSV-ZFWWWQNUSA-N 1 2 363.845 2.869 20 30 FFEDLO COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1Cl ZINC001524045254 1062704848 /nfs/dbraw/zinc/70/48/48/1062704848.db2.gz NIZPCHIKCZKKSV-ZFWWWQNUSA-N 1 2 363.845 2.869 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001524271997 1062783519 /nfs/dbraw/zinc/78/35/19/1062783519.db2.gz NMSQESWZCHLFBH-INMHGKMJSA-N 1 2 370.497 2.613 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001524271997 1062783539 /nfs/dbraw/zinc/78/35/39/1062783539.db2.gz NMSQESWZCHLFBH-INMHGKMJSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1ccoc1 ZINC001524367089 1062815210 /nfs/dbraw/zinc/81/52/10/1062815210.db2.gz BHNRKBRQNQZZFA-QGZVFWFLSA-N 1 2 359.474 2.865 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1ccoc1 ZINC001524367089 1062815235 /nfs/dbraw/zinc/81/52/35/1062815235.db2.gz BHNRKBRQNQZZFA-QGZVFWFLSA-N 1 2 359.474 2.865 20 30 FFEDLO CC(C)Cn1c(C[NH+]2CCCC2)nnc1N1Cc2ccc(C#N)cc2C1 ZINC001525033919 1063109459 /nfs/dbraw/zinc/10/94/59/1063109459.db2.gz WJOOJJLNPKYLKF-UHFFFAOYSA-N 1 2 350.470 2.922 20 30 FFEDLO N#C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC001440869280 1063367308 /nfs/dbraw/zinc/36/73/08/1063367308.db2.gz ZKAVNNKZMGUZOC-OAHLLOKOSA-N 1 2 365.324 2.914 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@@H](CN(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCC1 ZINC001497930470 1063778917 /nfs/dbraw/zinc/77/89/17/1063778917.db2.gz HXJGVBYKCDZMGX-GVDBMIGSSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@@H](CN(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCC1 ZINC001497930470 1063778924 /nfs/dbraw/zinc/77/89/24/1063778924.db2.gz HXJGVBYKCDZMGX-GVDBMIGSSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(Cl)C[NH+]1CCC(N(Cc2cn[nH]n2)C(=O)[C@@H]2CC23CCC3)CC1 ZINC001575059040 1078101781 /nfs/dbraw/zinc/10/17/81/1078101781.db2.gz HTUNBPYVWXXVCJ-INIZCTEOSA-N 1 2 363.893 2.540 20 30 FFEDLO C=CCC[C@@H](C)[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H](F)CC)CC1 ZINC001575087493 1078104508 /nfs/dbraw/zinc/10/45/08/1078104508.db2.gz IHQNVKVTVDJUON-PBHICJAKSA-N 1 2 351.470 2.701 20 30 FFEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc2cc[nH]c2c1 ZINC001473741777 1065342257 /nfs/dbraw/zinc/34/22/57/1065342257.db2.gz RFFCSDCJDOENIC-UHFFFAOYSA-N 1 2 353.447 2.945 20 30 FFEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc2cc[nH]c2c1 ZINC001473741777 1065342269 /nfs/dbraw/zinc/34/22/69/1065342269.db2.gz RFFCSDCJDOENIC-UHFFFAOYSA-N 1 2 353.447 2.945 20 30 FFEDLO C=C1CCC(C(=O)NCCCN(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001577659234 1078385522 /nfs/dbraw/zinc/38/55/22/1078385522.db2.gz BFYMNNAJDCYAFB-IAGOWNOFSA-N 1 2 358.486 2.614 20 30 FFEDLO C=C1CCC(C(=O)NCCCN(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001577659234 1078385526 /nfs/dbraw/zinc/38/55/26/1078385526.db2.gz BFYMNNAJDCYAFB-IAGOWNOFSA-N 1 2 358.486 2.614 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001580248358 1078773924 /nfs/dbraw/zinc/77/39/24/1078773924.db2.gz BOMIRGHEGVFJRF-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001580248358 1078773928 /nfs/dbraw/zinc/77/39/28/1078773928.db2.gz BOMIRGHEGVFJRF-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001582728893 1079104231 /nfs/dbraw/zinc/10/42/31/1079104231.db2.gz SWUHEVVMLIDXPI-SMLCLMEVSA-N 1 2 358.486 2.659 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001582728893 1079104234 /nfs/dbraw/zinc/10/42/34/1079104234.db2.gz SWUHEVVMLIDXPI-SMLCLMEVSA-N 1 2 358.486 2.659 20 30 FFEDLO CC(C)[C@@H](C(=O)Nc1nc2cc(C#N)ccc2[nH]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001557763120 1075886434 /nfs/dbraw/zinc/88/64/34/1075886434.db2.gz ZSWMEQVIRSLBLV-AHIWAGSCSA-N 1 2 355.442 2.507 20 30 FFEDLO CC(C)[C@@H](C(=O)Nc1nc2cc(C#N)ccc2[nH]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001557763120 1075886437 /nfs/dbraw/zinc/88/64/37/1075886437.db2.gz ZSWMEQVIRSLBLV-AHIWAGSCSA-N 1 2 355.442 2.507 20 30 FFEDLO C#CCNC(=O)CN1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001559866328 1076197030 /nfs/dbraw/zinc/19/70/30/1076197030.db2.gz POGXZOPGKVVBIJ-IBGZPJMESA-N 1 2 361.917 2.622 20 30 FFEDLO C#CCNC(=O)CN1CC[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001559866328 1076197032 /nfs/dbraw/zinc/19/70/32/1076197032.db2.gz POGXZOPGKVVBIJ-IBGZPJMESA-N 1 2 361.917 2.622 20 30 FFEDLO C#CC1(F)CN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001563438352 1076554726 /nfs/dbraw/zinc/55/47/26/1076554726.db2.gz WQXWXQDOFVGOJZ-HNNXBMFYSA-N 1 2 367.827 2.983 20 30 FFEDLO C=CCCSCCNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001565034249 1076679771 /nfs/dbraw/zinc/67/97/71/1076679771.db2.gz DWDKRYSOFSCKNZ-UHFFFAOYSA-N 1 2 363.527 2.702 20 30 FFEDLO CC[C@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001566814791 1076984325 /nfs/dbraw/zinc/98/43/25/1076984325.db2.gz XXPGFSSWNKAVKT-WOJBJXKFSA-N 1 2 355.482 2.939 20 30 FFEDLO CC[C@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001566814791 1076984329 /nfs/dbraw/zinc/98/43/29/1076984329.db2.gz XXPGFSSWNKAVKT-WOJBJXKFSA-N 1 2 355.482 2.939 20 30 FFEDLO C=CC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C(=O)OCC ZINC001567457255 1077029779 /nfs/dbraw/zinc/02/97/79/1077029779.db2.gz UYBCRCJCUSTHLN-IRXDYDNUSA-N 1 2 364.873 2.928 20 30 FFEDLO C=CC[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C(=O)OCC ZINC001567457255 1077029788 /nfs/dbraw/zinc/02/97/88/1077029788.db2.gz UYBCRCJCUSTHLN-IRXDYDNUSA-N 1 2 364.873 2.928 20 30 FFEDLO C=CCCC(=O)N[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@@H]1CC ZINC001573262531 1077643220 /nfs/dbraw/zinc/64/32/20/1077643220.db2.gz NTJKDSXYRYURMP-KSZLIROESA-N 1 2 360.502 2.932 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1C ZINC001573504868 1077719698 /nfs/dbraw/zinc/71/96/98/1077719698.db2.gz FZOFPEAMLJMZRI-CABCVRRESA-N 1 2 354.454 2.656 20 30 FFEDLO C#CCN(CC#C)c1nnc(-c2ccccc2)n1CCCNc1cccc[nH+]1 ZINC001588118094 1079929455 /nfs/dbraw/zinc/92/94/55/1079929455.db2.gz YEPKHGCARORZFI-UHFFFAOYSA-N 1 2 370.460 2.915 20 30 FFEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001588362076 1079994377 /nfs/dbraw/zinc/99/43/77/1079994377.db2.gz SSSRXALLWFJXOQ-UHFFFAOYSA-N 1 2 371.803 2.961 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588627833 1080127206 /nfs/dbraw/zinc/12/72/06/1080127206.db2.gz KHDHPTXVIDADPF-UHFFFAOYSA-N 1 2 362.437 2.802 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1ccc(C)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588627833 1080127212 /nfs/dbraw/zinc/12/72/12/1080127212.db2.gz KHDHPTXVIDADPF-UHFFFAOYSA-N 1 2 362.437 2.802 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588627582 1080127527 /nfs/dbraw/zinc/12/75/27/1080127527.db2.gz ADFGTYZRQRIUHK-IYBDPMFKSA-N 1 2 368.485 2.644 20 30 FFEDLO C=CC[N@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588627582 1080127529 /nfs/dbraw/zinc/12/75/29/1080127529.db2.gz ADFGTYZRQRIUHK-IYBDPMFKSA-N 1 2 368.485 2.644 20 30 FFEDLO CC(=[NH+]Nc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001588777373 1080192221 /nfs/dbraw/zinc/19/22/21/1080192221.db2.gz QBSSAMRUUWVBIX-UHFFFAOYSA-N 1 2 372.776 2.847 20 30 FFEDLO O=C(C#Cc1ccc2c(c1)OCO2)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001588787899 1080196677 /nfs/dbraw/zinc/19/66/77/1080196677.db2.gz QSGFOESTFGJRIF-GOSISDBHSA-N 1 2 359.385 2.521 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2CCCC=C)CC1 ZINC001588791143 1080197604 /nfs/dbraw/zinc/19/76/04/1080197604.db2.gz NQYWFUIIXXZRPU-UHFFFAOYSA-N 1 2 353.445 2.806 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2Cc2cc3ccccc3s2)CC1 ZINC001588836381 1080213044 /nfs/dbraw/zinc/21/30/44/1080213044.db2.gz ILKCWLGINACYFH-UHFFFAOYSA-N 1 2 365.506 2.859 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2C[C@@H]2C)CC1 ZINC001588848755 1080217620 /nfs/dbraw/zinc/21/76/20/1080217620.db2.gz NDSXZKJVHBIRQS-ICSRJNTNSA-N 1 2 363.509 2.589 20 30 FFEDLO COC(=O)c1cccc(Cn2c3ccccc3[nH]c2=[NH+]C[C@H](C)O)c1C#N ZINC000535917423 540528340 /nfs/dbraw/zinc/52/83/40/540528340.db2.gz DVUJINCKSLJYAI-ZDUSSCGKSA-N 1 2 364.405 2.536 20 30 FFEDLO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000103476430 250152919 /nfs/dbraw/zinc/15/29/19/250152919.db2.gz PGFHFDOLRBIOII-DZGCQCFKSA-N 1 2 370.457 2.586 20 30 FFEDLO CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000103476430 250152922 /nfs/dbraw/zinc/15/29/22/250152922.db2.gz PGFHFDOLRBIOII-DZGCQCFKSA-N 1 2 370.457 2.586 20 30 FFEDLO C[C@@H](c1ccc(C#N)cc1)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000118392379 250385933 /nfs/dbraw/zinc/38/59/33/250385933.db2.gz RJNZBXWZKANECF-ROUUACIJSA-N 1 2 354.498 2.638 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)N(C)Cc2cn3c([nH+]2)CCCC3)c(C#N)c1C ZINC000372994676 512124018 /nfs/dbraw/zinc/12/40/18/512124018.db2.gz FKBYINGXDCXFQM-CYBMUJFWSA-N 1 2 355.442 2.760 20 30 FFEDLO CCn1nccc1C1CC[NH+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000278939474 256364474 /nfs/dbraw/zinc/36/44/74/256364474.db2.gz UGUHTTZAFYGGMH-IBGZPJMESA-N 1 2 352.438 2.868 20 30 FFEDLO COCC(C)(C)CCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000286874921 257059639 /nfs/dbraw/zinc/05/96/39/257059639.db2.gz HTVQCYYCCRHVJE-UHFFFAOYSA-N 1 2 372.513 2.838 20 30 FFEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3cc(C#N)ccn3)CC2)cs1 ZINC000287873558 257124188 /nfs/dbraw/zinc/12/41/88/257124188.db2.gz NQSRXUBAOXQTAW-AWEZNQCLSA-N 1 2 357.483 2.829 20 30 FFEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3cc(C#N)ccn3)CC2)cs1 ZINC000287873558 257124190 /nfs/dbraw/zinc/12/41/90/257124190.db2.gz NQSRXUBAOXQTAW-AWEZNQCLSA-N 1 2 357.483 2.829 20 30 FFEDLO COCc1cnc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000287682473 257102318 /nfs/dbraw/zinc/10/23/18/257102318.db2.gz YUXQKEIPFCMCHH-UHFFFAOYSA-N 1 2 371.466 2.511 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C#N)c(F)c3)CC2)cc1 ZINC000290006233 257310956 /nfs/dbraw/zinc/31/09/56/257310956.db2.gz ZLQMSJKAWZNRLY-UHFFFAOYSA-N 1 2 363.396 2.919 20 30 FFEDLO N#Cc1ccc(Cl)cc1N1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000301268875 258038818 /nfs/dbraw/zinc/03/88/18/258038818.db2.gz IWTHCVPUPWRSSJ-SFHVURJKSA-N 1 2 354.841 2.560 20 30 FFEDLO N#Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000301298326 258041032 /nfs/dbraw/zinc/04/10/32/258041032.db2.gz ZEWXVWSBWYSEKP-UHFFFAOYSA-N 1 2 354.841 2.972 20 30 FFEDLO N#Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000302217231 258095638 /nfs/dbraw/zinc/09/56/38/258095638.db2.gz PTOGYWBILGQPDI-KRWDZBQOSA-N 1 2 352.394 2.779 20 30 FFEDLO N#Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000302217231 258095639 /nfs/dbraw/zinc/09/56/39/258095639.db2.gz PTOGYWBILGQPDI-KRWDZBQOSA-N 1 2 352.394 2.779 20 30 FFEDLO Cn1nc(Br)c2c1nc[nH+]c2NCc1cc(C#N)ccc1F ZINC000301448927 258050230 /nfs/dbraw/zinc/05/02/30/258050230.db2.gz FBZFFGUHVNNYGL-UHFFFAOYSA-N 1 2 361.178 2.749 20 30 FFEDLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC000301953781 258078240 /nfs/dbraw/zinc/07/82/40/258078240.db2.gz CZEMCDLKKOJLKX-ZDUSSCGKSA-N 1 2 372.270 2.994 20 30 FFEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(Cc3ccc(C#N)cc3F)CC2)C1 ZINC000332005830 258209745 /nfs/dbraw/zinc/20/97/45/258209745.db2.gz SCWPGLOJEBEGDL-VQIMIIECSA-N 1 2 372.488 2.510 20 30 FFEDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)c1 ZINC000332144706 258216125 /nfs/dbraw/zinc/21/61/25/258216125.db2.gz SLXRXPDYWSQMRM-UHFFFAOYSA-N 1 2 373.453 2.512 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3OC(F)F)CC[C@@H]21 ZINC000332565697 258235619 /nfs/dbraw/zinc/23/56/19/258235619.db2.gz BBFNNYJYGLQLRY-CABCVRRESA-N 1 2 364.396 2.536 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3OC(F)F)CC[C@@H]21 ZINC000332565697 258235620 /nfs/dbraw/zinc/23/56/20/258235620.db2.gz BBFNNYJYGLQLRY-CABCVRRESA-N 1 2 364.396 2.536 20 30 FFEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000333093279 258249390 /nfs/dbraw/zinc/24/93/90/258249390.db2.gz ZYZYJQMXALJPOE-MRXNPFEDSA-N 1 2 362.861 2.786 20 30 FFEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000333093279 258249391 /nfs/dbraw/zinc/24/93/91/258249391.db2.gz ZYZYJQMXALJPOE-MRXNPFEDSA-N 1 2 362.861 2.786 20 30 FFEDLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000053098848 506312964 /nfs/dbraw/zinc/31/29/64/506312964.db2.gz PMJWVBFTBRKECV-AWEZNQCLSA-N 1 2 355.467 2.945 20 30 FFEDLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000053098848 506312970 /nfs/dbraw/zinc/31/29/70/506312970.db2.gz PMJWVBFTBRKECV-AWEZNQCLSA-N 1 2 355.467 2.945 20 30 FFEDLO C=CCOc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1OC ZINC000033044111 506328354 /nfs/dbraw/zinc/32/83/54/506328354.db2.gz PWSSYIUXVLTYFA-UHFFFAOYSA-N 1 2 364.405 2.771 20 30 FFEDLO CN(CCC#N)c1ccc(C[N@@H+]2CCNC(=O)[C@H]2c2cccs2)cc1 ZINC000377246009 512183633 /nfs/dbraw/zinc/18/36/33/512183633.db2.gz QNVJDBSPGQZAAC-GOSISDBHSA-N 1 2 354.479 2.771 20 30 FFEDLO CN(CCC#N)c1ccc(C[N@H+]2CCNC(=O)[C@H]2c2cccs2)cc1 ZINC000377246009 512183639 /nfs/dbraw/zinc/18/36/39/512183639.db2.gz QNVJDBSPGQZAAC-GOSISDBHSA-N 1 2 354.479 2.771 20 30 FFEDLO Cc1c[nH]c(-c2ccccc2NC(=O)CNC(=O)c2ccc(C#N)cc2)[nH+]1 ZINC000375220482 512217989 /nfs/dbraw/zinc/21/79/89/512217989.db2.gz MGLNYSPNBOCFFS-UHFFFAOYSA-N 1 2 359.389 2.625 20 30 FFEDLO Cn1cc(/C=C2\C[N@H+](C3CCCCC3)C/C(=C/c3cnn(C)c3)C2=O)cn1 ZINC000066255991 506460469 /nfs/dbraw/zinc/46/04/69/506460469.db2.gz VODPXBFGXDIXMP-NCEWWTOFSA-N 1 2 365.481 2.838 20 30 FFEDLO Cn1cc(/C=C2\C[N@@H+](C3CCCCC3)C/C(=C/c3cnn(C)c3)C2=O)cn1 ZINC000066255991 506460476 /nfs/dbraw/zinc/46/04/76/506460476.db2.gz VODPXBFGXDIXMP-NCEWWTOFSA-N 1 2 365.481 2.838 20 30 FFEDLO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000066474015 506529633 /nfs/dbraw/zinc/52/96/33/506529633.db2.gz OFNFLPRSNCAGCU-UKRRQHHQSA-N 1 2 362.499 2.575 20 30 FFEDLO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000066474015 506529639 /nfs/dbraw/zinc/52/96/39/506529639.db2.gz OFNFLPRSNCAGCU-UKRRQHHQSA-N 1 2 362.499 2.575 20 30 FFEDLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000054391847 506552150 /nfs/dbraw/zinc/55/21/50/506552150.db2.gz LATJIJMVIUZGBH-CQSZACIVSA-N 1 2 362.433 2.902 20 30 FFEDLO CC(=O)Nc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000054391847 506552152 /nfs/dbraw/zinc/55/21/52/506552152.db2.gz LATJIJMVIUZGBH-CQSZACIVSA-N 1 2 362.433 2.902 20 30 FFEDLO C=CC[N@@H+](CCOc1ccc(OCCC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559559 506552547 /nfs/dbraw/zinc/55/25/47/506552547.db2.gz DQBQYWTUBUTIRP-MRXNPFEDSA-N 1 2 353.484 2.529 20 30 FFEDLO C=CC[N@H+](CCOc1ccc(OCCC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559559 506552549 /nfs/dbraw/zinc/55/25/49/506552549.db2.gz DQBQYWTUBUTIRP-MRXNPFEDSA-N 1 2 353.484 2.529 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N2CCc3ccccc3C2)CC1 ZINC000369216263 512287029 /nfs/dbraw/zinc/28/70/29/512287029.db2.gz UGUHLFJVFMXTRM-UHFFFAOYSA-N 1 2 360.461 2.524 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000054677258 506601585 /nfs/dbraw/zinc/60/15/85/506601585.db2.gz SUPLDAHUOHLCKU-CYBMUJFWSA-N 1 2 359.817 2.721 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000054677258 506601589 /nfs/dbraw/zinc/60/15/89/506601589.db2.gz SUPLDAHUOHLCKU-CYBMUJFWSA-N 1 2 359.817 2.721 20 30 FFEDLO CC(C)Oc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000042830181 506671791 /nfs/dbraw/zinc/67/17/91/506671791.db2.gz BTWCDFHAGUFJBW-UHFFFAOYSA-N 1 2 364.449 2.698 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000066869824 506674799 /nfs/dbraw/zinc/67/47/99/506674799.db2.gz OBVXNFCHFHDDCA-AWEZNQCLSA-N 1 2 369.856 2.756 20 30 FFEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000043485641 506748946 /nfs/dbraw/zinc/74/89/46/506748946.db2.gz YFRSWHJQIWJUKD-UHFFFAOYSA-N 1 2 361.405 2.620 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000055816851 506858700 /nfs/dbraw/zinc/85/87/00/506858700.db2.gz AQJOXVCMMRDNSY-INIZCTEOSA-N 1 2 365.433 2.796 20 30 FFEDLO C[N@@H+]1CCc2nc(NC(=O)CSCc3ccc(C#N)cc3)sc2C1 ZINC000044904529 506900105 /nfs/dbraw/zinc/90/01/05/506900105.db2.gz VJLDEEUATZFEOT-UHFFFAOYSA-N 1 2 358.492 2.875 20 30 FFEDLO C[N@H+]1CCc2nc(NC(=O)CSCc3ccc(C#N)cc3)sc2C1 ZINC000044904529 506900110 /nfs/dbraw/zinc/90/01/10/506900110.db2.gz VJLDEEUATZFEOT-UHFFFAOYSA-N 1 2 358.492 2.875 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CCC[C@H](C(=O)OCC)C1)Cc1ccccc1F ZINC000056312547 506982644 /nfs/dbraw/zinc/98/26/44/506982644.db2.gz TTWFOBZYQSTKTE-KRWDZBQOSA-N 1 2 362.445 2.615 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CCC[C@H](C(=O)OCC)C1)Cc1ccccc1F ZINC000056312547 506982650 /nfs/dbraw/zinc/98/26/50/506982650.db2.gz TTWFOBZYQSTKTE-KRWDZBQOSA-N 1 2 362.445 2.615 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](CCC(=O)N3CCc4ccccc43)CCO2)c1 ZINC000371297286 512313418 /nfs/dbraw/zinc/31/34/18/512313418.db2.gz IZQNLTMCTATWIY-NRFANRHFSA-N 1 2 361.445 2.911 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCC(=O)N3CCc4ccccc43)CCO2)c1 ZINC000371297286 512313422 /nfs/dbraw/zinc/31/34/22/512313422.db2.gz IZQNLTMCTATWIY-NRFANRHFSA-N 1 2 361.445 2.911 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CSc3ccccc3)CC2)cc1 ZINC000017843015 507130755 /nfs/dbraw/zinc/13/07/55/507130755.db2.gz OQKYWCYPBNRDHU-UHFFFAOYSA-N 1 2 351.475 2.995 20 30 FFEDLO Cc1cccc(NC(=O)CN2CC[NH+](Cc3cccc(C#N)c3)CC2)c1C ZINC000020808447 507235375 /nfs/dbraw/zinc/23/53/75/507235375.db2.gz HBWDOOJXWGNZGJ-UHFFFAOYSA-N 1 2 362.477 2.931 20 30 FFEDLO COc1ccccc1N1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000057406040 507256774 /nfs/dbraw/zinc/25/67/74/507256774.db2.gz ORBVIMWMHZYAMC-MRXNPFEDSA-N 1 2 364.449 2.716 20 30 FFEDLO COc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000023233034 507338768 /nfs/dbraw/zinc/33/87/68/507338768.db2.gz RPIWUZACUONLLE-UHFFFAOYSA-N 1 2 350.422 2.917 20 30 FFEDLO Cc1ccccc1-c1noc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)n1 ZINC000025496468 507505305 /nfs/dbraw/zinc/50/53/05/507505305.db2.gz CPNWOKIVXJFUAO-UHFFFAOYSA-N 1 2 360.421 2.634 20 30 FFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000048427255 507521484 /nfs/dbraw/zinc/52/14/84/507521484.db2.gz ZXPNQOCXKAWPDR-CYBMUJFWSA-N 1 2 350.344 2.641 20 30 FFEDLO Cc1ccc(C#N)cc1NC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000069606914 507521788 /nfs/dbraw/zinc/52/17/88/507521788.db2.gz FNKBHOVMHGYXLN-HNNXBMFYSA-N 1 2 365.437 2.809 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(OCC#N)cc2)c1C ZINC000069828317 507569262 /nfs/dbraw/zinc/56/92/62/507569262.db2.gz JSWHFUNCCQARRV-UHFFFAOYSA-N 1 2 368.437 2.951 20 30 FFEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000026443395 507587189 /nfs/dbraw/zinc/58/71/89/507587189.db2.gz OWUSIIFIKISUOQ-UHFFFAOYSA-N 1 2 371.387 2.673 20 30 FFEDLO N#Cc1ccnc(N2CCN(Cc3[nH+]ccn3Cc3ccccc3)CC2)c1 ZINC000026918552 507622176 /nfs/dbraw/zinc/62/21/76/507622176.db2.gz SZYAUZWDKGSADV-UHFFFAOYSA-N 1 2 358.449 2.520 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccsc3)CC2)c(C#N)c1C ZINC000027516005 507662982 /nfs/dbraw/zinc/66/29/82/507662982.db2.gz GHOAYLHOPRBEMO-CQSZACIVSA-N 1 2 372.494 2.974 20 30 FFEDLO COc1cc(C)sc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000071097323 507695609 /nfs/dbraw/zinc/69/56/09/507695609.db2.gz PBMGJXVPQXLNJE-UHFFFAOYSA-N 1 2 355.463 2.895 20 30 FFEDLO COc1ccc(C[N@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c(OC)c1 ZINC000028746200 507740026 /nfs/dbraw/zinc/74/00/26/507740026.db2.gz FSOBWAFFGRUQLN-IBGZPJMESA-N 1 2 365.433 2.813 20 30 FFEDLO COc1ccc(C[N@@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c(OC)c1 ZINC000028746200 507740034 /nfs/dbraw/zinc/74/00/34/507740034.db2.gz FSOBWAFFGRUQLN-IBGZPJMESA-N 1 2 365.433 2.813 20 30 FFEDLO C=CCNC(=O)[C@H](C)N1CC[NH+]([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000029159493 507765627 /nfs/dbraw/zinc/76/56/27/507765627.db2.gz OVFNRKCTGDKAHN-GJZGRUSLSA-N 1 2 358.511 2.666 20 30 FFEDLO CCc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000029444409 507778167 /nfs/dbraw/zinc/77/81/67/507778167.db2.gz DFGAZQWQJSNBMO-INIZCTEOSA-N 1 2 363.465 2.665 20 30 FFEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000029449906 507778211 /nfs/dbraw/zinc/77/82/11/507778211.db2.gz HGOKLBIJZVNOKY-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029856835 507793073 /nfs/dbraw/zinc/79/30/73/507793073.db2.gz OBSAEGVEENIBEH-OAHLLOKOSA-N 1 2 352.413 2.847 20 30 FFEDLO COc1cccc([C@H](NC(=O)c2sccc2C#N)c2[nH+]ccn2C)c1 ZINC000052029437 507794654 /nfs/dbraw/zinc/79/46/54/507794654.db2.gz IRFGEWCWCVHXKX-HNNXBMFYSA-N 1 2 352.419 2.881 20 30 FFEDLO COC(=O)C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000072578793 507827770 /nfs/dbraw/zinc/82/77/70/507827770.db2.gz MVKLSNRUNVDGLN-UHFFFAOYSA-N 1 2 351.406 2.562 20 30 FFEDLO COC(=O)C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000072578793 507827774 /nfs/dbraw/zinc/82/77/74/507827774.db2.gz MVKLSNRUNVDGLN-UHFFFAOYSA-N 1 2 351.406 2.562 20 30 FFEDLO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000089508992 507844325 /nfs/dbraw/zinc/84/43/25/507844325.db2.gz TWESIFYNLFECQI-UHFFFAOYSA-N 1 2 364.515 2.821 20 30 FFEDLO CCN(CC)c1ccc(CNC(=O)Cc2cccc(OCC#N)c2)c[nH+]1 ZINC000089751128 507861394 /nfs/dbraw/zinc/86/13/94/507861394.db2.gz IGCCMSAHMUSYPW-UHFFFAOYSA-N 1 2 352.438 2.689 20 30 FFEDLO C=CCc1ccc(OCC(=O)NCCc2cn3c([nH+]2)CCCC3)c(OC)c1 ZINC000078587544 507886074 /nfs/dbraw/zinc/88/60/74/507886074.db2.gz GYCLXEPXUMYFRR-UHFFFAOYSA-N 1 2 369.465 2.694 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000078616223 507889692 /nfs/dbraw/zinc/88/96/92/507889692.db2.gz AAVAQLYOWVDQKQ-FGZHOGPDSA-N 1 2 374.488 2.889 20 30 FFEDLO Cc1noc(C)c1[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000073064112 507890283 /nfs/dbraw/zinc/89/02/83/507890283.db2.gz YSDGOPXLMKBGJA-CQSZACIVSA-N 1 2 367.453 2.752 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1csc(-c2ccccc2)n1 ZINC000078720697 507900445 /nfs/dbraw/zinc/90/04/45/507900445.db2.gz ZCLRQOZJWDPKOH-UHFFFAOYSA-N 1 2 356.495 2.858 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000079022905 507926573 /nfs/dbraw/zinc/92/65/73/507926573.db2.gz ILNNJRLMYWEUCV-HNNXBMFYSA-N 1 2 373.526 2.626 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000073604873 507937240 /nfs/dbraw/zinc/93/72/40/507937240.db2.gz VMICYRFORJSGMP-MRXNPFEDSA-N 1 2 360.458 2.530 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091083365 507952478 /nfs/dbraw/zinc/95/24/78/507952478.db2.gz QQSWKZLGXKUHMP-GFCCVEGCSA-N 1 2 370.831 2.811 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCCN(CC(F)F)CC1 ZINC000091083365 507952480 /nfs/dbraw/zinc/95/24/80/507952480.db2.gz QQSWKZLGXKUHMP-GFCCVEGCSA-N 1 2 370.831 2.811 20 30 FFEDLO CCOC(=O)C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CC1 ZINC000091773002 508011866 /nfs/dbraw/zinc/01/18/66/508011866.db2.gz CPTRQPAXLITWKI-UHFFFAOYSA-N 1 2 352.438 2.991 20 30 FFEDLO CCOC(=O)C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CC1 ZINC000091773002 508011869 /nfs/dbraw/zinc/01/18/69/508011869.db2.gz CPTRQPAXLITWKI-UHFFFAOYSA-N 1 2 352.438 2.991 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000091980727 508029535 /nfs/dbraw/zinc/02/95/35/508029535.db2.gz ABEYZLZBBDBFQO-IAGOWNOFSA-N 1 2 360.477 2.512 20 30 FFEDLO CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000111252723 508083373 /nfs/dbraw/zinc/08/33/73/508083373.db2.gz UGLSGXWUWIJXEJ-IBGZPJMESA-N 1 2 362.433 2.624 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000111252723 508083374 /nfs/dbraw/zinc/08/33/74/508083374.db2.gz UGLSGXWUWIJXEJ-IBGZPJMESA-N 1 2 362.433 2.624 20 30 FFEDLO N#Cc1c(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)sc2c1CCCCC2 ZINC000111314413 508089734 /nfs/dbraw/zinc/08/97/34/508089734.db2.gz XLBOTZDANUNKCV-PBWFPOADSA-N 1 2 359.495 2.815 20 30 FFEDLO N#Cc1c(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)sc2c1CCCCC2 ZINC000111314413 508089735 /nfs/dbraw/zinc/08/97/35/508089735.db2.gz XLBOTZDANUNKCV-PBWFPOADSA-N 1 2 359.495 2.815 20 30 FFEDLO N#CCCCCS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000111351382 508092681 /nfs/dbraw/zinc/09/26/81/508092681.db2.gz JPTWCPYYXXQQQC-CQSZACIVSA-N 1 2 371.453 2.542 20 30 FFEDLO N#CCCCCS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000111351382 508092685 /nfs/dbraw/zinc/09/26/85/508092685.db2.gz JPTWCPYYXXQQQC-CQSZACIVSA-N 1 2 371.453 2.542 20 30 FFEDLO N#Cc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC000111428635 508098093 /nfs/dbraw/zinc/09/80/93/508098093.db2.gz HRLJINWCVMEVMG-FQEVSTJZSA-N 1 2 364.449 2.623 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000080908198 508111087 /nfs/dbraw/zinc/11/10/87/508111087.db2.gz NBXWJATWNPLZMI-HOJAQTOUSA-N 1 2 354.498 2.564 20 30 FFEDLO N#CCc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000076085114 508157381 /nfs/dbraw/zinc/15/73/81/508157381.db2.gz CTAVOIPCZNWSAO-UHFFFAOYSA-N 1 2 359.433 2.974 20 30 FFEDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000076196032 508168827 /nfs/dbraw/zinc/16/88/27/508168827.db2.gz AXQLZIHOLIWRLG-UHFFFAOYSA-N 1 2 350.378 2.736 20 30 FFEDLO C=CCN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000112630885 508203489 /nfs/dbraw/zinc/20/34/89/508203489.db2.gz CBMJQWJSOROQDJ-MRXNPFEDSA-N 1 2 372.446 2.689 20 30 FFEDLO N#Cc1ccccc1N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000101519704 508242290 /nfs/dbraw/zinc/24/22/90/508242290.db2.gz MDWUKQAAMPZPES-UHFFFAOYSA-N 1 2 357.417 2.706 20 30 FFEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000077359351 508304719 /nfs/dbraw/zinc/30/47/19/508304719.db2.gz BBISWYLYIIVLAF-OAHLLOKOSA-N 1 2 364.405 2.985 20 30 FFEDLO N#Cc1cc(NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)ccc1F ZINC000077498279 508323980 /nfs/dbraw/zinc/32/39/80/508323980.db2.gz PHUIHIQFMIOPLD-IBGZPJMESA-N 1 2 368.412 2.892 20 30 FFEDLO CCOc1ccc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115596743 508415217 /nfs/dbraw/zinc/41/52/17/508415217.db2.gz CJBPRHCRYDYTKY-YJYMSZOUSA-N 1 2 353.422 2.843 20 30 FFEDLO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115597271 508416372 /nfs/dbraw/zinc/41/63/72/508416372.db2.gz YNYOIXVGLHFKHD-LIRRHRJNSA-N 1 2 364.449 2.859 20 30 FFEDLO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115600366 508417675 /nfs/dbraw/zinc/41/76/75/508417675.db2.gz LJZALUNUWNMFPS-ADLMAVQZSA-N 1 2 357.385 2.592 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c(C#N)c1C ZINC000152404754 508439620 /nfs/dbraw/zinc/43/96/20/508439620.db2.gz VFFABYQQKLGEKG-CQSZACIVSA-N 1 2 368.441 2.513 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c(C#N)c1C ZINC000152404754 508439623 /nfs/dbraw/zinc/43/96/23/508439623.db2.gz VFFABYQQKLGEKG-CQSZACIVSA-N 1 2 368.441 2.513 20 30 FFEDLO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1sccc1C#N ZINC000133762756 508445797 /nfs/dbraw/zinc/44/57/97/508445797.db2.gz KHYBYHYMGIQJAR-UHFFFAOYSA-N 1 2 354.479 2.514 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)C2(C#N)CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152513169 508461442 /nfs/dbraw/zinc/46/14/42/508461442.db2.gz KQDVMRNAXFSRIB-HOTGVXAUSA-N 1 2 365.836 2.661 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)C2(C#N)CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152513169 508461445 /nfs/dbraw/zinc/46/14/45/508461445.db2.gz KQDVMRNAXFSRIB-HOTGVXAUSA-N 1 2 365.836 2.661 20 30 FFEDLO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000157630902 508590137 /nfs/dbraw/zinc/59/01/37/508590137.db2.gz DGXZZZIXHZLXTL-SJORKVTESA-N 1 2 364.453 2.859 20 30 FFEDLO C=CCOc1ccc(/C=C/C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1OC ZINC000153511849 508591294 /nfs/dbraw/zinc/59/12/94/508591294.db2.gz UHZHGASOZLWYSR-BVBGJJFLSA-N 1 2 355.438 2.922 20 30 FFEDLO C=CCCC[NH+]1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 ZINC000117870987 508621043 /nfs/dbraw/zinc/62/10/43/508621043.db2.gz LHZMKMISZUSBAD-UHFFFAOYSA-N 1 2 352.485 2.686 20 30 FFEDLO C[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)Cn1cc[nH+]c1 ZINC000153691654 508627242 /nfs/dbraw/zinc/62/72/42/508627242.db2.gz HHEGWAOKNHAWRD-HNNXBMFYSA-N 1 2 364.405 2.993 20 30 FFEDLO COCC[N@H+](CC(=O)NCc1sccc1C)Cc1ccc(C#N)cc1 ZINC000123405220 508681582 /nfs/dbraw/zinc/68/15/82/508681582.db2.gz BYMSQBCPMYCDTI-UHFFFAOYSA-N 1 2 357.479 2.693 20 30 FFEDLO COCC[N@@H+](CC(=O)NCc1sccc1C)Cc1ccc(C#N)cc1 ZINC000123405220 508681586 /nfs/dbraw/zinc/68/15/86/508681586.db2.gz BYMSQBCPMYCDTI-UHFFFAOYSA-N 1 2 357.479 2.693 20 30 FFEDLO COCC[N@H+](CC(=O)N[C@H](C)c1cccs1)Cc1ccc(C#N)cc1 ZINC000123423700 508684170 /nfs/dbraw/zinc/68/41/70/508684170.db2.gz OETUQVFURGORNO-OAHLLOKOSA-N 1 2 357.479 2.946 20 30 FFEDLO COCC[N@@H+](CC(=O)N[C@H](C)c1cccs1)Cc1ccc(C#N)cc1 ZINC000123423700 508684176 /nfs/dbraw/zinc/68/41/76/508684176.db2.gz OETUQVFURGORNO-OAHLLOKOSA-N 1 2 357.479 2.946 20 30 FFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000158317317 508687026 /nfs/dbraw/zinc/68/70/26/508687026.db2.gz HEVSZMQZSOSLBH-OAHLLOKOSA-N 1 2 354.479 2.937 20 30 FFEDLO C=C[C@H](CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000129137770 508689074 /nfs/dbraw/zinc/68/90/74/508689074.db2.gz BIDWKENDURVNRP-QGZVFWFLSA-N 1 2 354.454 2.514 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000159471105 508846711 /nfs/dbraw/zinc/84/67/11/508846711.db2.gz PJUZZNFVIIBLMT-JXFKEZNVSA-N 1 2 360.477 2.559 20 30 FFEDLO C#CCOc1cc(F)ccc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000130914889 508865025 /nfs/dbraw/zinc/86/50/25/508865025.db2.gz FZVNMWHDBIJBBZ-MRXNPFEDSA-N 1 2 355.369 2.918 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000124834170 508892088 /nfs/dbraw/zinc/89/20/88/508892088.db2.gz MQPSGPQNPSYCKR-UHFFFAOYSA-N 1 2 372.432 2.742 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000124834170 508892091 /nfs/dbraw/zinc/89/20/91/508892091.db2.gz MQPSGPQNPSYCKR-UHFFFAOYSA-N 1 2 372.432 2.742 20 30 FFEDLO Cc1sc(NC(=O)CN2CCN(c3cc(C)cc[nH+]3)CC2)c(C#N)c1C ZINC000120041736 508915565 /nfs/dbraw/zinc/91/55/65/508915565.db2.gz RDUGFFZZMSPKNU-UHFFFAOYSA-N 1 2 369.494 2.701 20 30 FFEDLO CN(CCCn1cc[nH+]c1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000132157050 509000956 /nfs/dbraw/zinc/00/09/56/509000956.db2.gz MEFPLQQSPWRXPV-UHFFFAOYSA-N 1 2 364.371 2.985 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[NH+]1CCSCC1 ZINC000151464747 509022654 /nfs/dbraw/zinc/02/26/54/509022654.db2.gz VRMYHWLTVOHRII-NSHDSACASA-N 1 2 373.400 2.875 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000155612645 509037453 /nfs/dbraw/zinc/03/74/53/509037453.db2.gz PSSHZPHYCKYFBM-OAHLLOKOSA-N 1 2 366.421 2.504 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000155739991 509062552 /nfs/dbraw/zinc/06/25/52/509062552.db2.gz GNYSNIPPMDQSKN-MRXNPFEDSA-N 1 2 367.424 2.809 20 30 FFEDLO CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000371500227 512435670 /nfs/dbraw/zinc/43/56/70/512435670.db2.gz MFNSFHXTKOIAEQ-DLBZAZTESA-N 1 2 371.453 2.712 20 30 FFEDLO CC(C)[N@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000371500227 512435674 /nfs/dbraw/zinc/43/56/74/512435674.db2.gz MFNSFHXTKOIAEQ-DLBZAZTESA-N 1 2 371.453 2.712 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cc(Cl)ccc1F ZINC000132809174 509077391 /nfs/dbraw/zinc/07/73/91/509077391.db2.gz PFRIFMZXWCDJIR-UHFFFAOYSA-N 1 2 354.813 2.559 20 30 FFEDLO Cn1c2ccc(NC(=O)C(=O)N(CCC#N)CC3CC3)cc2[nH+]c1C1CC1 ZINC000132820588 509079115 /nfs/dbraw/zinc/07/91/15/509079115.db2.gz FSZRTFGFUWVUCV-UHFFFAOYSA-N 1 2 365.437 2.541 20 30 FFEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000133086044 509114366 /nfs/dbraw/zinc/11/43/66/509114366.db2.gz UHVWEUFHWMFLLQ-MRXNPFEDSA-N 1 2 358.239 2.979 20 30 FFEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000133086044 509114367 /nfs/dbraw/zinc/11/43/67/509114367.db2.gz UHVWEUFHWMFLLQ-MRXNPFEDSA-N 1 2 358.239 2.979 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(Cl)cc1 ZINC000133100180 509116088 /nfs/dbraw/zinc/11/60/88/509116088.db2.gz PESKOHDDDUNMTN-OALUTQOASA-N 1 2 369.852 2.922 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(Cl)cc1 ZINC000133100180 509116093 /nfs/dbraw/zinc/11/60/93/509116093.db2.gz PESKOHDDDUNMTN-OALUTQOASA-N 1 2 369.852 2.922 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000179227017 509329674 /nfs/dbraw/zinc/32/96/74/509329674.db2.gz RJHWPOZSPLANHG-INIZCTEOSA-N 1 2 361.486 2.769 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000179227017 509329685 /nfs/dbraw/zinc/32/96/85/509329685.db2.gz RJHWPOZSPLANHG-INIZCTEOSA-N 1 2 361.486 2.769 20 30 FFEDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000248568606 509369318 /nfs/dbraw/zinc/36/93/18/509369318.db2.gz NWQXJAIBYXNULS-IUODEOHRSA-N 1 2 364.858 2.680 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)s1 ZINC000163374504 509369394 /nfs/dbraw/zinc/36/93/94/509369394.db2.gz NJUZTGYRLAKKJZ-UHFFFAOYSA-N 1 2 359.426 2.868 20 30 FFEDLO N#C[C@H](C(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1)c1nc2ccccc2c(=O)[nH]1 ZINC000264257653 509415919 /nfs/dbraw/zinc/41/59/19/509415919.db2.gz ZHZLVBYUYLGKKR-PBHICJAKSA-N 1 2 361.405 2.677 20 30 FFEDLO N#C[C@H](C(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1)c1nc2ccccc2c(=O)[nH]1 ZINC000264257653 509415926 /nfs/dbraw/zinc/41/59/26/509415926.db2.gz ZHZLVBYUYLGKKR-PBHICJAKSA-N 1 2 361.405 2.677 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000192243903 509422585 /nfs/dbraw/zinc/42/25/85/509422585.db2.gz GUGOAIQKZMRJRT-UHFFFAOYSA-N 1 2 364.446 2.557 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(C(=O)C(F)(F)F)CC3)C2=O)cc1 ZINC000186060561 509504477 /nfs/dbraw/zinc/50/44/77/509504477.db2.gz KXSNNXFECALLDB-OAHLLOKOSA-N 1 2 365.355 2.507 20 30 FFEDLO Cc1cnc([C@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000267490345 509513563 /nfs/dbraw/zinc/51/35/63/509513563.db2.gz AOPWLKBKDJJIJU-HNNXBMFYSA-N 1 2 369.494 2.912 20 30 FFEDLO Cc1ccc(C)c(N2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000164639714 509520493 /nfs/dbraw/zinc/52/04/93/509520493.db2.gz CWZREEJSTQRCHA-UHFFFAOYSA-N 1 2 354.498 2.768 20 30 FFEDLO C#CCCCCC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000179676977 509567875 /nfs/dbraw/zinc/56/78/75/509567875.db2.gz JZVTVZOHWWPUQE-IBGZPJMESA-N 1 2 355.438 2.837 20 30 FFEDLO CCOC(=O)c1nn(C)cc1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000186191283 509568984 /nfs/dbraw/zinc/56/89/84/509568984.db2.gz RWPKDCYLYGRDID-UHFFFAOYSA-N 1 2 368.437 2.512 20 30 FFEDLO CC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C[C@@H](O)C(F)(F)F ZINC000189543574 509630349 /nfs/dbraw/zinc/63/03/49/509630349.db2.gz PIIDZJSPOMTLHH-MRXNPFEDSA-N 1 2 371.403 2.795 20 30 FFEDLO CC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C[C@@H](O)C(F)(F)F ZINC000189543574 509630358 /nfs/dbraw/zinc/63/03/58/509630358.db2.gz PIIDZJSPOMTLHH-MRXNPFEDSA-N 1 2 371.403 2.795 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(Cl)c1OC ZINC000179988816 509701931 /nfs/dbraw/zinc/70/19/31/509701931.db2.gz XKJQMSDOFNYMHC-UHFFFAOYSA-N 1 2 372.856 2.946 20 30 FFEDLO N#CCCCOc1cccnc1NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000186443275 509710856 /nfs/dbraw/zinc/71/08/56/509710856.db2.gz QRAISJCBSZZTRI-UHFFFAOYSA-N 1 2 364.409 2.776 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c(Cl)c1 ZINC000180121507 509763689 /nfs/dbraw/zinc/76/36/89/509763689.db2.gz BIZDZHFXBNYHBR-ZDUSSCGKSA-N 1 2 350.831 2.851 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000250525448 509799176 /nfs/dbraw/zinc/79/91/76/509799176.db2.gz QACWPOHDJQZDAH-VQIMIIECSA-N 1 2 361.461 2.815 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000250525448 509799183 /nfs/dbraw/zinc/79/91/83/509799183.db2.gz QACWPOHDJQZDAH-VQIMIIECSA-N 1 2 361.461 2.815 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000253614403 509904631 /nfs/dbraw/zinc/90/46/31/509904631.db2.gz BBOFBOORCVGBDM-UHFFFAOYSA-N 1 2 370.434 2.876 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000253614403 509904638 /nfs/dbraw/zinc/90/46/38/509904638.db2.gz BBOFBOORCVGBDM-UHFFFAOYSA-N 1 2 370.434 2.876 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000245402531 509904878 /nfs/dbraw/zinc/90/48/78/509904878.db2.gz IKHUXTARILDVGJ-QUCCMNQESA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000245402531 509904884 /nfs/dbraw/zinc/90/48/84/509904884.db2.gz IKHUXTARILDVGJ-QUCCMNQESA-N 1 2 356.397 2.511 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000265192462 509911144 /nfs/dbraw/zinc/91/11/44/509911144.db2.gz ONHREOKGXYBPET-UHFFFAOYSA-N 1 2 364.449 2.693 20 30 FFEDLO COc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000265201807 509918677 /nfs/dbraw/zinc/91/86/77/509918677.db2.gz PXPWSGLXHNUDGG-HNNXBMFYSA-N 1 2 365.437 2.873 20 30 FFEDLO CCO[C@@H](C)c1noc(CN2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000174047409 509923541 /nfs/dbraw/zinc/92/35/41/509923541.db2.gz OABBCBOXXNTAHH-HOTGVXAUSA-N 1 2 369.469 2.918 20 30 FFEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cs1 ZINC000174113434 509954466 /nfs/dbraw/zinc/95/44/66/509954466.db2.gz XWBLGLNWTAVGOA-JTQLQIEISA-N 1 2 366.874 2.641 20 30 FFEDLO N#CCSCCC[N@@H+]1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000190140808 509963035 /nfs/dbraw/zinc/96/30/35/509963035.db2.gz VXNMPIDGUNBQDN-CQSZACIVSA-N 1 2 373.400 2.705 20 30 FFEDLO N#CCSCCC[N@H+]1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000190140808 509963042 /nfs/dbraw/zinc/96/30/42/509963042.db2.gz VXNMPIDGUNBQDN-CQSZACIVSA-N 1 2 373.400 2.705 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000268494397 509968648 /nfs/dbraw/zinc/96/86/48/509968648.db2.gz ONWMARVSWSDZIK-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO C[C@@H](C#N)CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000177353123 510009033 /nfs/dbraw/zinc/00/90/33/510009033.db2.gz QYFLSFSTICOLMQ-WFASDCNBSA-N 1 2 350.260 2.862 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000193682579 510017925 /nfs/dbraw/zinc/01/79/25/510017925.db2.gz RLQPANXHMTZPCA-SJORKVTESA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccnc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000193682579 510017928 /nfs/dbraw/zinc/01/79/28/510017928.db2.gz RLQPANXHMTZPCA-SJORKVTESA-N 1 2 358.804 2.921 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c(OC)c1 ZINC000193693407 510022667 /nfs/dbraw/zinc/02/26/67/510022667.db2.gz PBGDZUMNDWNPIC-ROUUACIJSA-N 1 2 371.481 2.766 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c(OC)c1 ZINC000193693407 510022669 /nfs/dbraw/zinc/02/26/69/510022669.db2.gz PBGDZUMNDWNPIC-ROUUACIJSA-N 1 2 371.481 2.766 20 30 FFEDLO N#Cc1ccnc(SCC(=O)Nc2nc(C[NH+]3CCCC3)cs2)c1 ZINC000193833295 510092016 /nfs/dbraw/zinc/09/20/16/510092016.db2.gz GGWOEKIDQZYKHS-UHFFFAOYSA-N 1 2 359.480 2.736 20 30 FFEDLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N[C@H](C)CC#N)c2c1C ZINC000171366140 510108622 /nfs/dbraw/zinc/10/86/22/510108622.db2.gz FIBNWUCQNUPFGL-SNVBAGLBSA-N 1 2 361.471 2.952 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000177528107 510115851 /nfs/dbraw/zinc/11/58/51/510115851.db2.gz GDMRAOKZORMMJV-UHFFFAOYSA-N 1 2 360.458 2.554 20 30 FFEDLO CCc1nnc(C2CC[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)[nH]1 ZINC000190649237 510260779 /nfs/dbraw/zinc/26/07/79/510260779.db2.gz WUXARWGCEKNJAN-UHFFFAOYSA-N 1 2 372.860 2.710 20 30 FFEDLO CCc1n[nH]c(C2CC[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)n1 ZINC000190649237 510260788 /nfs/dbraw/zinc/26/07/88/510260788.db2.gz WUXARWGCEKNJAN-UHFFFAOYSA-N 1 2 372.860 2.710 20 30 FFEDLO CCc1nc(C2CC[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)n[nH]1 ZINC000190649237 510260794 /nfs/dbraw/zinc/26/07/94/510260794.db2.gz WUXARWGCEKNJAN-UHFFFAOYSA-N 1 2 372.860 2.710 20 30 FFEDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000175047048 510458588 /nfs/dbraw/zinc/45/85/88/510458588.db2.gz KICHQGHQHSHDPZ-UHFFFAOYSA-N 1 2 363.461 2.882 20 30 FFEDLO N#Cc1c(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)cn2ccccc12 ZINC000175074460 510471252 /nfs/dbraw/zinc/47/12/52/510471252.db2.gz OZDVDEFLIGSYMC-UHFFFAOYSA-N 1 2 370.407 2.720 20 30 FFEDLO Cc1c(NC(=O)[C@@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C)cccc1[N+](=O)[O-] ZINC000266247107 510480134 /nfs/dbraw/zinc/48/01/34/510480134.db2.gz YZWICSJNYSVSOZ-CHWSQXEVSA-N 1 2 366.418 2.580 20 30 FFEDLO CS[C@H]1CCCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000269700110 510517353 /nfs/dbraw/zinc/51/73/53/510517353.db2.gz YHRMUKSUNJIUTR-ZFWWWQNUSA-N 1 2 370.478 2.729 20 30 FFEDLO CS[C@H]1CCCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000269700110 510517361 /nfs/dbraw/zinc/51/73/61/510517361.db2.gz YHRMUKSUNJIUTR-ZFWWWQNUSA-N 1 2 370.478 2.729 20 30 FFEDLO Cn1cc(C[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)cc1C#N ZINC000191222102 510556400 /nfs/dbraw/zinc/55/64/00/510556400.db2.gz WOUFVUDGUOJLGY-UHFFFAOYSA-N 1 2 350.253 2.921 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc(F)c(F)c1 ZINC000188031050 510557772 /nfs/dbraw/zinc/55/77/72/510557772.db2.gz UEBIMEVHRFUROO-QGZVFWFLSA-N 1 2 367.440 2.992 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc(F)c(F)c1 ZINC000188031050 510557780 /nfs/dbraw/zinc/55/77/80/510557780.db2.gz UEBIMEVHRFUROO-QGZVFWFLSA-N 1 2 367.440 2.992 20 30 FFEDLO Cc1nc(N2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)cc[nH+]1 ZINC000185052479 510657020 /nfs/dbraw/zinc/65/70/20/510657020.db2.gz DTUBQFHQCIUPJX-SFHVURJKSA-N 1 2 364.453 2.662 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000185130075 510702057 /nfs/dbraw/zinc/70/20/57/510702057.db2.gz KBIVCVYMLBRZBB-AWEZNQCLSA-N 1 2 358.442 2.820 20 30 FFEDLO C=CCC1(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCC1 ZINC000191647448 510770883 /nfs/dbraw/zinc/77/08/83/510770883.db2.gz HWOPYGGGJPBIQM-UHFFFAOYSA-N 1 2 355.482 2.952 20 30 FFEDLO CCN1CCN([C@H](C)C(=O)Nc2nc(C)c(C)s2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329925538 510879369 /nfs/dbraw/zinc/87/93/69/510879369.db2.gz VNEBWEJWRJHOMN-OCCSQVGLSA-N 1 2 362.503 2.838 20 30 FFEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H]2CCCSC2)on1 ZINC000329968632 510889274 /nfs/dbraw/zinc/88/92/74/510889274.db2.gz WUDOGVNZKSOCET-KKUMJFAQSA-N 1 2 370.494 2.637 20 30 FFEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H]2CCCSC2)on1 ZINC000329968632 510889280 /nfs/dbraw/zinc/88/92/80/510889280.db2.gz WUDOGVNZKSOCET-KKUMJFAQSA-N 1 2 370.494 2.637 20 30 FFEDLO C[C@@H]1CC(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000282250663 510902141 /nfs/dbraw/zinc/90/21/41/510902141.db2.gz OOKHGESUWWAIRW-IAGOWNOFSA-N 1 2 370.497 2.589 20 30 FFEDLO Cn1c(CNC(=O)C2([NH+]3CCOCC3)CCC2)nc2cccc(Cl)c21 ZINC000330037372 510903896 /nfs/dbraw/zinc/90/38/96/510903896.db2.gz ZBMYTPQHUPUMFH-UHFFFAOYSA-N 1 2 362.861 2.938 20 30 FFEDLO CCN1CCN(C(=O)Nc2nc3c(s2)CCCC3)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330049452 510906257 /nfs/dbraw/zinc/90/62/57/510906257.db2.gz JMEMMFMVPQKFCR-CYBMUJFWSA-N 1 2 360.487 2.669 20 30 FFEDLO CCCC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000330092534 510914089 /nfs/dbraw/zinc/91/40/89/510914089.db2.gz QTVKYZONJZPIQG-FUHWJXTLSA-N 1 2 365.518 2.625 20 30 FFEDLO CCCC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000330092534 510914093 /nfs/dbraw/zinc/91/40/93/510914093.db2.gz QTVKYZONJZPIQG-FUHWJXTLSA-N 1 2 365.518 2.625 20 30 FFEDLO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000270585669 510914904 /nfs/dbraw/zinc/91/49/04/510914904.db2.gz HBZROVKYVLJNMV-HNNXBMFYSA-N 1 2 365.481 2.736 20 30 FFEDLO CO/N=C(/C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccco1 ZINC000282293549 510917784 /nfs/dbraw/zinc/91/77/84/510917784.db2.gz LPMUXCDSWQMAMM-HGNXGAGXSA-N 1 2 356.426 2.569 20 30 FFEDLO C=CCN(C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CC1 ZINC000276001891 510923779 /nfs/dbraw/zinc/92/37/79/510923779.db2.gz GLAOMOMQQFZGDR-UHFFFAOYSA-N 1 2 362.433 2.717 20 30 FFEDLO CC[C@@H]1C[N@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@]2(CCOC2)O1 ZINC000330148601 510926029 /nfs/dbraw/zinc/92/60/29/510926029.db2.gz JOKKKJVZFWTMCJ-MKSNKDDYSA-N 1 2 367.490 2.706 20 30 FFEDLO CC[C@@H]1C[N@@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@]2(CCOC2)O1 ZINC000330148601 510926032 /nfs/dbraw/zinc/92/60/32/510926032.db2.gz JOKKKJVZFWTMCJ-MKSNKDDYSA-N 1 2 367.490 2.706 20 30 FFEDLO O=C(C[N@@H+]1CCS[C@H]2COCC[C@@H]21)Nc1nc2c(s1)CCCC2 ZINC000330174910 510929588 /nfs/dbraw/zinc/92/95/88/510929588.db2.gz IRAUASZUAYWNHC-JSGCOSHPSA-N 1 2 353.513 2.816 20 30 FFEDLO O=C(C[N@H+]1CCS[C@H]2COCC[C@@H]21)Nc1nc2c(s1)CCCC2 ZINC000330174910 510929594 /nfs/dbraw/zinc/92/95/94/510929594.db2.gz IRAUASZUAYWNHC-JSGCOSHPSA-N 1 2 353.513 2.816 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1csc(NC3CC3)n1)C2 ZINC000330206489 510937993 /nfs/dbraw/zinc/93/79/93/510937993.db2.gz DHNCNBPNMVKMOY-LBPRGKRZSA-N 1 2 359.499 2.953 20 30 FFEDLO CN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCCC[C@H]1O ZINC000330242162 510945682 /nfs/dbraw/zinc/94/56/82/510945682.db2.gz CAZWQJJHVVBMFQ-MLHJIOFPSA-N 1 2 367.440 2.859 20 30 FFEDLO CN(C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCCC[C@H]1O ZINC000330242162 510945686 /nfs/dbraw/zinc/94/56/86/510945686.db2.gz CAZWQJJHVVBMFQ-MLHJIOFPSA-N 1 2 367.440 2.859 20 30 FFEDLO C[C@H]1C(=O)Nc2cc(C(=O)NCC(C)(C)[NH+]3CCOCC3)ccc2N1C ZINC000330259579 510949409 /nfs/dbraw/zinc/94/94/09/510949409.db2.gz NNRVWJHFCGCSAS-ZDUSSCGKSA-N 1 2 360.458 2.528 20 30 FFEDLO Cc1ccccc1[C@@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)[C@@H](C)CO1 ZINC000330277808 510954615 /nfs/dbraw/zinc/95/46/15/510954615.db2.gz OVCTUGCIGBGIQJ-JZXOWHBKSA-N 1 2 354.454 2.882 20 30 FFEDLO Cn1cc(-c2ncc(C(=O)N[C@@H]3CCO[C@H](c4c[nH+]cn4C)C3)s2)cn1 ZINC000330322794 510963713 /nfs/dbraw/zinc/96/37/13/510963713.db2.gz HEBXEVJEMBNPSG-OCCSQVGLSA-N 1 2 372.454 2.502 20 30 FFEDLO C[C@@H](C#N)CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000360941574 510969867 /nfs/dbraw/zinc/96/98/67/510969867.db2.gz QDAPIKYEUNLJKR-KBPBESRZSA-N 1 2 350.413 2.730 20 30 FFEDLO C[C@@H](C#N)CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000360941574 510969870 /nfs/dbraw/zinc/96/98/70/510969870.db2.gz QDAPIKYEUNLJKR-KBPBESRZSA-N 1 2 350.413 2.730 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000297555915 510990201 /nfs/dbraw/zinc/99/02/01/510990201.db2.gz CJQKAQIQCBZCCF-UHFFFAOYSA-N 1 2 358.486 2.711 20 30 FFEDLO CN(C(=O)C[NH+]1CCC(Oc2ncccc2F)CC1)C1(C#N)CCCCC1 ZINC000278370270 510990990 /nfs/dbraw/zinc/99/09/90/510990990.db2.gz SOFBVUWDGHFMCN-UHFFFAOYSA-N 1 2 374.460 2.749 20 30 FFEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000278654028 511003483 /nfs/dbraw/zinc/00/34/83/511003483.db2.gz QAEMWQLCYUOGSZ-APWZRJJASA-N 1 2 369.490 2.838 20 30 FFEDLO CCN(CC)c1ccc(CNC(=O)N2CCC(O)(C(F)(F)F)CC2)c[nH+]1 ZINC000330714072 511011919 /nfs/dbraw/zinc/01/19/19/511011919.db2.gz XFRRXDLTXAJRRP-UHFFFAOYSA-N 1 2 374.407 2.731 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000279241652 511022853 /nfs/dbraw/zinc/02/28/53/511022853.db2.gz SOXNZLKANTYXTO-YFHUEUNASA-N 1 2 364.511 2.607 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000279241652 511022860 /nfs/dbraw/zinc/02/28/60/511022860.db2.gz SOXNZLKANTYXTO-YFHUEUNASA-N 1 2 364.511 2.607 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000279274143 511026959 /nfs/dbraw/zinc/02/69/59/511026959.db2.gz JMHSAJFWWBZUHP-FQEVSTJZSA-N 1 2 373.460 2.942 20 30 FFEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)cc1 ZINC000271032832 511063728 /nfs/dbraw/zinc/06/37/28/511063728.db2.gz IWOXTBPBQYBJPV-UHFFFAOYSA-N 1 2 361.493 2.871 20 30 FFEDLO CCN(CC)c1ncc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)s1 ZINC000271041025 511066086 /nfs/dbraw/zinc/06/60/86/511066086.db2.gz MVWZOBDAQAQGRW-UHFFFAOYSA-N 1 2 356.499 2.578 20 30 FFEDLO COC(=O)c1c(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2C#N)sc2c1CCCC2 ZINC000331628008 511069008 /nfs/dbraw/zinc/06/90/08/511069008.db2.gz PJMYCOAIBNVRCP-DGCLKSJQSA-N 1 2 361.467 2.634 20 30 FFEDLO CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000288594695 511080703 /nfs/dbraw/zinc/08/07/03/511080703.db2.gz OZMYLEHUWGXBSG-HEHNFIMWSA-N 1 2 361.471 2.615 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332583709 511085347 /nfs/dbraw/zinc/08/53/47/511085347.db2.gz GVALAMASRMZBOC-DJIMGWMZSA-N 1 2 374.510 2.875 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332583709 511085351 /nfs/dbraw/zinc/08/53/51/511085351.db2.gz GVALAMASRMZBOC-DJIMGWMZSA-N 1 2 374.510 2.875 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCCC(C)(C)[C@@H]1C#N)CC2 ZINC000332622406 511087560 /nfs/dbraw/zinc/08/75/60/511087560.db2.gz SKYKQMBYIJIGGQ-IBGZPJMESA-N 1 2 371.481 2.603 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCCC(C)(C)[C@@H]1C#N)CC2 ZINC000332622406 511087565 /nfs/dbraw/zinc/08/75/65/511087565.db2.gz SKYKQMBYIJIGGQ-IBGZPJMESA-N 1 2 371.481 2.603 20 30 FFEDLO Cc1cc(NC(=O)NCCn2c(C)[nH+]c3ccccc32)nn1CCC#N ZINC000271146523 511096495 /nfs/dbraw/zinc/09/64/95/511096495.db2.gz DBNBEPVBGJDYBD-UHFFFAOYSA-N 1 2 351.414 2.585 20 30 FFEDLO CCc1cc(C#N)c(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)s1 ZINC000362097814 511130724 /nfs/dbraw/zinc/13/07/24/511130724.db2.gz JTUUHSDXNNFJHW-UHFFFAOYSA-N 1 2 357.483 2.766 20 30 FFEDLO N#Cc1c(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)n[nH]c1C1CC1 ZINC000290512714 511142721 /nfs/dbraw/zinc/14/27/21/511142721.db2.gz NKONSOWILPANHZ-MRXNPFEDSA-N 1 2 353.401 2.901 20 30 FFEDLO N#Cc1c(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n[nH]c1C1CC1 ZINC000290512714 511142727 /nfs/dbraw/zinc/14/27/27/511142727.db2.gz NKONSOWILPANHZ-MRXNPFEDSA-N 1 2 353.401 2.901 20 30 FFEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3cnccc3C#N)CC2)cs1 ZINC000271404170 511193384 /nfs/dbraw/zinc/19/33/84/511193384.db2.gz OGKBLVVKFZPEKK-AWEZNQCLSA-N 1 2 357.483 2.829 20 30 FFEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3cnccc3C#N)CC2)cs1 ZINC000271404170 511193388 /nfs/dbraw/zinc/19/33/88/511193388.db2.gz OGKBLVVKFZPEKK-AWEZNQCLSA-N 1 2 357.483 2.829 20 30 FFEDLO N#CC1CCC(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000283047385 511213635 /nfs/dbraw/zinc/21/36/35/511213635.db2.gz QSLQFGLHDCICJI-QLOJAFMTSA-N 1 2 370.497 2.517 20 30 FFEDLO N#CC1CCC(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000283047385 511213641 /nfs/dbraw/zinc/21/36/41/511213641.db2.gz QSLQFGLHDCICJI-QLOJAFMTSA-N 1 2 370.497 2.517 20 30 FFEDLO C=C(C)Cn1c(CC(C)C)nnc1N1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000283304246 511314934 /nfs/dbraw/zinc/31/49/34/511314934.db2.gz PDCMFHVCWQCIJY-UHFFFAOYSA-N 1 2 372.517 2.980 20 30 FFEDLO C#CCC[NH+]1CCN([C@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)CC1 ZINC000271996987 511395345 /nfs/dbraw/zinc/39/53/45/511395345.db2.gz GLQSYLLACCFRSL-OAHLLOKOSA-N 1 2 367.449 2.603 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@H](c2noc([C@@H](C#N)Cc3ccc(C#N)cc3)n2)C1 ZINC000280287543 511408389 /nfs/dbraw/zinc/40/83/89/511408389.db2.gz MIXOXTWQZJCZTF-SJORKVTESA-N 1 2 351.410 2.573 20 30 FFEDLO CC(C)[N@H+]1CCO[C@H](c2noc([C@@H](C#N)Cc3ccc(C#N)cc3)n2)C1 ZINC000280287543 511408394 /nfs/dbraw/zinc/40/83/94/511408394.db2.gz MIXOXTWQZJCZTF-SJORKVTESA-N 1 2 351.410 2.573 20 30 FFEDLO CN(Cc1cn2c([nH+]1)CCCC2)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000365402728 511428859 /nfs/dbraw/zinc/42/88/59/511428859.db2.gz KCFVWFVPVJVXOM-LJQANCHMSA-N 1 2 363.465 2.718 20 30 FFEDLO C=C(C)Cn1c(-c2cccn2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000283703910 511468529 /nfs/dbraw/zinc/46/85/29/511468529.db2.gz VPNGXQCSMSBCEO-UHFFFAOYSA-N 1 2 363.469 2.581 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)cc1 ZINC000280448321 511469893 /nfs/dbraw/zinc/46/98/93/511469893.db2.gz NMNZIAIPUDPOED-UEXGIBASSA-N 1 2 371.481 2.510 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)cc1 ZINC000280448321 511469896 /nfs/dbraw/zinc/46/98/96/511469896.db2.gz NMNZIAIPUDPOED-UEXGIBASSA-N 1 2 371.481 2.510 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000292180406 511495574 /nfs/dbraw/zinc/49/55/74/511495574.db2.gz MKAGVLLYYIWGMA-UHFFFAOYSA-N 1 2 353.397 2.969 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000292180406 511495578 /nfs/dbraw/zinc/49/55/78/511495578.db2.gz MKAGVLLYYIWGMA-UHFFFAOYSA-N 1 2 353.397 2.969 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(Br)cn3)C2)nc1 ZINC000292184100 511497090 /nfs/dbraw/zinc/49/70/90/511497090.db2.gz MRFAKGZILBEMND-OAHLLOKOSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(Br)cn3)C2)nc1 ZINC000292184100 511497096 /nfs/dbraw/zinc/49/70/96/511497096.db2.gz MRFAKGZILBEMND-OAHLLOKOSA-N 1 2 359.227 2.764 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000363365330 511505300 /nfs/dbraw/zinc/50/53/00/511505300.db2.gz IVDAYEBFWMHJTL-NSHDSACASA-N 1 2 358.833 2.536 20 30 FFEDLO COc1cc(C[N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)cc(OC)c1 ZINC000299133822 511526577 /nfs/dbraw/zinc/52/65/77/511526577.db2.gz NLWXWKKLXWADCH-UHFFFAOYSA-N 1 2 357.410 2.856 20 30 FFEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)cc(OC)c1 ZINC000299133822 511526580 /nfs/dbraw/zinc/52/65/80/511526580.db2.gz NLWXWKKLXWADCH-UHFFFAOYSA-N 1 2 357.410 2.856 20 30 FFEDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)s1 ZINC000273722533 511587730 /nfs/dbraw/zinc/58/77/30/511587730.db2.gz SAVXPBPVRLDSIX-VXGBXAGGSA-N 1 2 361.446 2.972 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000363515324 511599699 /nfs/dbraw/zinc/59/96/99/511599699.db2.gz FQNPFBDCWPUHMN-QGZVFWFLSA-N 1 2 358.438 2.961 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000363515324 511599704 /nfs/dbraw/zinc/59/97/04/511599704.db2.gz FQNPFBDCWPUHMN-QGZVFWFLSA-N 1 2 358.438 2.961 20 30 FFEDLO C=CCNC(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)nc1 ZINC000301229281 511691740 /nfs/dbraw/zinc/69/17/40/511691740.db2.gz IAHFBIRSQZATKP-UHFFFAOYSA-N 1 2 351.385 2.934 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2csc(-c3ccc4c(c3)OCO4)n2)C1=O ZINC000281237321 511770732 /nfs/dbraw/zinc/77/07/32/511770732.db2.gz LMROBYYHPYYWSP-OAHLLOKOSA-N 1 2 371.462 2.758 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2csc(-c3ccc4c(c3)OCO4)n2)C1=O ZINC000281237321 511770734 /nfs/dbraw/zinc/77/07/34/511770734.db2.gz LMROBYYHPYYWSP-OAHLLOKOSA-N 1 2 371.462 2.758 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c(Br)c1 ZINC000284833846 511891279 /nfs/dbraw/zinc/89/12/79/511891279.db2.gz PETWFFSIOGUROC-OIISXLGYSA-N 1 2 365.271 2.683 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c(Br)c1 ZINC000284833846 511891284 /nfs/dbraw/zinc/89/12/84/511891284.db2.gz PETWFFSIOGUROC-OIISXLGYSA-N 1 2 365.271 2.683 20 30 FFEDLO C=CCCCCNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000274694212 511912810 /nfs/dbraw/zinc/91/28/10/511912810.db2.gz WBXBCQOXZHIRMJ-UHFFFAOYSA-N 1 2 358.486 2.745 20 30 FFEDLO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000328693012 511915829 /nfs/dbraw/zinc/91/58/29/511915829.db2.gz JMMYEGDPLRIXAU-OAHLLOKOSA-N 1 2 368.524 2.567 20 30 FFEDLO Cc1ccc([C@H](CNC(=O)c2cn3c(n2)CCCC3)[NH+]2CCOCC2)s1 ZINC000328699319 511917142 /nfs/dbraw/zinc/91/71/42/511917142.db2.gz ICUBOFCEHFNDJI-INIZCTEOSA-N 1 2 374.510 2.967 20 30 FFEDLO Cn1cc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)c(C(F)(F)F)n1 ZINC000328705309 511918177 /nfs/dbraw/zinc/91/81/77/511918177.db2.gz LCXHNXQSMNAMBU-UHFFFAOYSA-N 1 2 370.379 2.673 20 30 FFEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000328824737 511937120 /nfs/dbraw/zinc/93/71/20/511937120.db2.gz ISUPYAJQHZDBLH-JQHSSLGASA-N 1 2 358.486 2.613 20 30 FFEDLO C[C@@H](C(=O)NCc1cccc(NC(=O)N2CCCC2)c1)[NH+]1CCOCC1 ZINC000328869666 511942835 /nfs/dbraw/zinc/94/28/35/511942835.db2.gz PEHJKRMUIHNINM-HNNXBMFYSA-N 1 2 360.458 2.505 20 30 FFEDLO C[C@H]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000293407240 511953936 /nfs/dbraw/zinc/95/39/36/511953936.db2.gz OPLSQYNXUIWKDP-FZMZJTMJSA-N 1 2 363.343 2.892 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000281753893 511955054 /nfs/dbraw/zinc/95/50/54/511955054.db2.gz IDGDWASQWRCTBI-JQHSSLGASA-N 1 2 372.444 2.929 20 30 FFEDLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)NC12CC3CC(CC(C3)C1)C2 ZINC000328986306 511961486 /nfs/dbraw/zinc/96/14/86/511961486.db2.gz UFOURILOSHLOQM-ZTPZHLLESA-N 1 2 362.514 2.774 20 30 FFEDLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)NC12CC3CC(CC(C3)C1)C2 ZINC000328986306 511961488 /nfs/dbraw/zinc/96/14/88/511961488.db2.gz UFOURILOSHLOQM-ZTPZHLLESA-N 1 2 362.514 2.774 20 30 FFEDLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)NC1(c2ccccc2)CCC1 ZINC000328993257 511962851 /nfs/dbraw/zinc/96/28/51/511962851.db2.gz VUXPXGWATPIOSY-IPMKNSEASA-N 1 2 358.482 2.884 20 30 FFEDLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)NC1(c2ccccc2)CCC1 ZINC000328993257 511962858 /nfs/dbraw/zinc/96/28/58/511962858.db2.gz VUXPXGWATPIOSY-IPMKNSEASA-N 1 2 358.482 2.884 20 30 FFEDLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000328998895 511964983 /nfs/dbraw/zinc/96/49/83/511964983.db2.gz WZXGTDXRDMNJDP-QRQLOZEOSA-N 1 2 372.513 2.963 20 30 FFEDLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000328998895 511964985 /nfs/dbraw/zinc/96/49/85/511964985.db2.gz WZXGTDXRDMNJDP-QRQLOZEOSA-N 1 2 372.513 2.963 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)C1CCOCC1 ZINC000329049880 511973508 /nfs/dbraw/zinc/97/35/08/511973508.db2.gz KMUOHQWSCPQBFA-IBGZPJMESA-N 1 2 371.437 2.858 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2cc(Br)ccn2)C1 ZINC000329065451 511977179 /nfs/dbraw/zinc/97/71/79/511977179.db2.gz WDLHXPQAACRKRJ-JTQLQIEISA-N 1 2 350.220 2.613 20 30 FFEDLO N#Cc1ccc(NC(=O)CC[NH2+]C2(c3noc(C(F)F)n3)CCC2)cc1 ZINC000366406760 512005058 /nfs/dbraw/zinc/00/50/58/512005058.db2.gz RMLHPPUCSZVCGH-UHFFFAOYSA-N 1 2 361.352 2.876 20 30 FFEDLO CCO[C@@H]1C[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C12CCOCC2 ZINC000329318973 512026826 /nfs/dbraw/zinc/02/68/26/512026826.db2.gz DNJIWOKOKVUDFK-FGTMMUONSA-N 1 2 366.502 2.561 20 30 FFEDLO CCO[C@@H]1C[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C12CCOCC2 ZINC000329318973 512026829 /nfs/dbraw/zinc/02/68/29/512026829.db2.gz DNJIWOKOKVUDFK-FGTMMUONSA-N 1 2 366.502 2.561 20 30 FFEDLO O=C(CN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1)NC1CCOCC1 ZINC000329346258 512030465 /nfs/dbraw/zinc/03/04/65/512030465.db2.gz RIAZDRZKJJSNKS-UHFFFAOYSA-N 1 2 358.417 2.505 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285263725 512058252 /nfs/dbraw/zinc/05/82/52/512058252.db2.gz IAZBFUPSYDIGCW-VQIMIIECSA-N 1 2 364.511 2.533 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285263725 512058256 /nfs/dbraw/zinc/05/82/56/512058256.db2.gz IAZBFUPSYDIGCW-VQIMIIECSA-N 1 2 364.511 2.533 20 30 FFEDLO Cc1nc(C[N@H+]2CCCN(C(=O)N[C@H](C)[C@@H]3CCCOC3)CC2)cs1 ZINC000329510750 512060377 /nfs/dbraw/zinc/06/03/77/512060377.db2.gz MTRRMFNCJCKBKW-GDBMZVCRSA-N 1 2 366.531 2.688 20 30 FFEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@H](C)[C@@H]3CCCOC3)CC2)cs1 ZINC000329510750 512060381 /nfs/dbraw/zinc/06/03/81/512060381.db2.gz MTRRMFNCJCKBKW-GDBMZVCRSA-N 1 2 366.531 2.688 20 30 FFEDLO CN(C)c1cc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)ncn1 ZINC000329529913 512064668 /nfs/dbraw/zinc/06/46/68/512064668.db2.gz UERUXVAUCOESPY-UHFFFAOYSA-N 1 2 369.473 2.501 20 30 FFEDLO CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329618585 512077879 /nfs/dbraw/zinc/07/78/79/512077879.db2.gz QNVCEKOSDVFDRQ-SMDDNHRTSA-N 1 2 350.488 2.561 20 30 FFEDLO CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329618585 512077883 /nfs/dbraw/zinc/07/78/83/512077883.db2.gz QNVCEKOSDVFDRQ-SMDDNHRTSA-N 1 2 350.488 2.561 20 30 FFEDLO C[C@H]1C[C@@H](C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)CC(=O)N1 ZINC000329673100 512084864 /nfs/dbraw/zinc/08/48/64/512084864.db2.gz NVRUMPJGWCWBQL-LSDHHAIUSA-N 1 2 372.469 2.807 20 30 FFEDLO C[C@H]1C[C@@H](C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)CC(=O)N1 ZINC000329673100 512084865 /nfs/dbraw/zinc/08/48/65/512084865.db2.gz NVRUMPJGWCWBQL-LSDHHAIUSA-N 1 2 372.469 2.807 20 30 FFEDLO CCN(C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C1CCCCC1 ZINC000329860516 512104612 /nfs/dbraw/zinc/10/46/12/512104612.db2.gz XKLPGVLLJZIVTG-UHFFFAOYSA-N 1 2 373.501 2.669 20 30 FFEDLO Cc1cc(CCNC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc(C)c1O ZINC000329884272 512105528 /nfs/dbraw/zinc/10/55/28/512105528.db2.gz SFQXQDFNWMXBAU-AEFFLSMTSA-N 1 2 372.469 2.709 20 30 FFEDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1coc(C2CCOCC2)n1 ZINC000329900215 512106138 /nfs/dbraw/zinc/10/61/38/512106138.db2.gz FZMQLHBBVMBQHJ-UHFFFAOYSA-N 1 2 361.467 2.993 20 30 FFEDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1coc(C2CCOCC2)n1 ZINC000329900215 512106139 /nfs/dbraw/zinc/10/61/39/512106139.db2.gz FZMQLHBBVMBQHJ-UHFFFAOYSA-N 1 2 361.467 2.993 20 30 FFEDLO N#Cc1c(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)nc2cc(Cl)ccn12 ZINC000367442659 512499544 /nfs/dbraw/zinc/49/95/44/512499544.db2.gz JNQWIPGMLJOLEC-OAHLLOKOSA-N 1 2 356.817 2.532 20 30 FFEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377972746 512532817 /nfs/dbraw/zinc/53/28/17/512532817.db2.gz WJUWHLQDAHUEBY-HNNXBMFYSA-N 1 2 366.465 2.874 20 30 FFEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377972746 512532821 /nfs/dbraw/zinc/53/28/21/512532821.db2.gz WJUWHLQDAHUEBY-HNNXBMFYSA-N 1 2 366.465 2.874 20 30 FFEDLO CCC[C@](C)([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)OC ZINC000411276443 512558066 /nfs/dbraw/zinc/55/80/66/512558066.db2.gz MHJXGKOBAMMQLU-KRWDZBQOSA-N 1 2 351.834 2.862 20 30 FFEDLO Cc1[nH+]ccn1-c1ccc(NS(=O)(=O)c2ccc(C#N)c(C)c2)cn1 ZINC000373904481 512563309 /nfs/dbraw/zinc/56/33/09/512563309.db2.gz HXOXBJKXEZYNRW-UHFFFAOYSA-N 1 2 353.407 2.557 20 30 FFEDLO COc1ccccc1[C@@H](NC(=O)c1cc(C#N)oc1C)c1[nH+]ccn1C ZINC000369856663 512649829 /nfs/dbraw/zinc/64/98/29/512649829.db2.gz OELCGHWRBCCIEJ-QGZVFWFLSA-N 1 2 350.378 2.721 20 30 FFEDLO N#Cc1cccc(-n2ccc(C(=O)NCc3ccccc3-n3cc[nH+]c3)n2)c1 ZINC000376131015 512675445 /nfs/dbraw/zinc/67/54/45/512675445.db2.gz JLPLMBVZQPRKEV-UHFFFAOYSA-N 1 2 368.400 2.860 20 30 FFEDLO COc1ccccc1[C@H](NC(=O)N1CCC(C)(C#N)CC1)c1[nH+]ccn1C ZINC000369999803 512719752 /nfs/dbraw/zinc/71/97/52/512719752.db2.gz SFVMQEGANQSLQC-KRWDZBQOSA-N 1 2 367.453 2.853 20 30 FFEDLO CCCc1c(NC(=O)NCc2[nH+]ccn2C)cnn1-c1cccc(C#N)c1 ZINC000376257253 512736646 /nfs/dbraw/zinc/73/66/46/512736646.db2.gz IHFCBQJKAOWAGV-UHFFFAOYSA-N 1 2 363.425 2.752 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](CCc3nc4ccccc4c(=O)[nH]3)CCO2)c1 ZINC000374353473 512785350 /nfs/dbraw/zinc/78/53/50/512785350.db2.gz DLGIAMYPKZPVNY-IBGZPJMESA-N 1 2 360.417 2.823 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCc3nc4ccccc4c(=O)[nH]3)CCO2)c1 ZINC000374353473 512785354 /nfs/dbraw/zinc/78/53/54/512785354.db2.gz DLGIAMYPKZPVNY-IBGZPJMESA-N 1 2 360.417 2.823 20 30 FFEDLO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000372347566 512827317 /nfs/dbraw/zinc/82/73/17/512827317.db2.gz SIFCJSDQMHMXLO-FQEVSTJZSA-N 1 2 365.433 2.969 20 30 FFEDLO COc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000372347566 512827319 /nfs/dbraw/zinc/82/73/19/512827319.db2.gz SIFCJSDQMHMXLO-FQEVSTJZSA-N 1 2 365.433 2.969 20 30 FFEDLO Cc1cccc2[nH+]c(CNC(=O)N3CCC(C#N)(c4ccccn4)CC3)cn21 ZINC000374503110 512862856 /nfs/dbraw/zinc/86/28/56/512862856.db2.gz HYGWISYLXPFEKF-UHFFFAOYSA-N 1 2 374.448 2.805 20 30 FFEDLO Cc1ccc(CNC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1F ZINC000376594352 512889344 /nfs/dbraw/zinc/88/93/44/512889344.db2.gz DMKOFYHEIMHHJE-UHFFFAOYSA-N 1 2 366.440 2.703 20 30 FFEDLO C=CCC[C@@H](O)C[N@H+]1CCOC[C@H]1c1c(C)nn(CC(F)(F)F)c1C ZINC000368434802 512947910 /nfs/dbraw/zinc/94/79/10/512947910.db2.gz QGGSWUGEDSWONJ-CABCVRRESA-N 1 2 361.408 2.763 20 30 FFEDLO C=CCC[C@@H](O)C[N@@H+]1CCOC[C@H]1c1c(C)nn(CC(F)(F)F)c1C ZINC000368434802 512947916 /nfs/dbraw/zinc/94/79/16/512947916.db2.gz QGGSWUGEDSWONJ-CABCVRRESA-N 1 2 361.408 2.763 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000407974269 512977439 /nfs/dbraw/zinc/97/74/39/512977439.db2.gz SGNHJECUOFVCPC-KURKYZTESA-N 1 2 354.498 2.573 20 30 FFEDLO COC(=O)c1csc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000450356055 513157152 /nfs/dbraw/zinc/15/71/52/513157152.db2.gz UJMFQIRUPOTIOI-UHFFFAOYSA-N 1 2 357.435 2.845 20 30 FFEDLO CC1(C)C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@H](C(F)(F)F)O1 ZINC000428932225 513226533 /nfs/dbraw/zinc/22/65/33/513226533.db2.gz JEMSNKIQCZELGH-LLVKDONJSA-N 1 2 361.389 2.990 20 30 FFEDLO CC1(C)C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@H](C(F)(F)F)O1 ZINC000428932225 513226540 /nfs/dbraw/zinc/22/65/40/513226540.db2.gz JEMSNKIQCZELGH-LLVKDONJSA-N 1 2 361.389 2.990 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@]2(C#N)C[C@@H]2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000450529313 513237738 /nfs/dbraw/zinc/23/77/38/513237738.db2.gz UCSARXMDJKFBTF-MMGJMTETSA-N 1 2 351.372 2.905 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)[C@]2(C#N)C[C@@H]2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000450529313 513237745 /nfs/dbraw/zinc/23/77/45/513237745.db2.gz UCSARXMDJKFBTF-MMGJMTETSA-N 1 2 351.372 2.905 20 30 FFEDLO C=C(C)[C@@H](NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000434369272 513303106 /nfs/dbraw/zinc/30/31/06/513303106.db2.gz ZXESKOIICSLBEW-RDTXWAMCSA-N 1 2 367.440 2.944 20 30 FFEDLO Cc1nccnc1N1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000440522220 513345866 /nfs/dbraw/zinc/34/58/66/513345866.db2.gz UQBADEIZIFPANG-UHFFFAOYSA-N 1 2 359.380 2.580 20 30 FFEDLO Cc1ccc(Cl)c(N(Cc2[nH]cc[nH+]2)C(=O)[C@H](C)n2cnc(C#N)n2)c1 ZINC000440885588 513429083 /nfs/dbraw/zinc/42/90/83/513429083.db2.gz YKYXXLMLHOMGJQ-LBPRGKRZSA-N 1 2 369.816 2.629 20 30 FFEDLO COCCOc1ccccc1N1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425243967 513471093 /nfs/dbraw/zinc/47/10/93/513471093.db2.gz USSXGWQXJSRFEJ-UHFFFAOYSA-N 1 2 352.438 2.614 20 30 FFEDLO Cc1cc2c(ncnc2N2CCN(c3cc(C)[nH+]cc3C#N)CC2)s1 ZINC000425250206 513475240 /nfs/dbraw/zinc/47/52/40/513475240.db2.gz CYPWRTVTCCETHB-UHFFFAOYSA-N 1 2 350.451 2.901 20 30 FFEDLO N#Cc1c2c(cnc1N1C[C@@H]3[C@H](C1)OCC[N@@H+]3Cc1ccccc1)CCC2 ZINC000425263784 513481369 /nfs/dbraw/zinc/48/13/69/513481369.db2.gz VCZWWWFNLTWJOA-RTWAWAEBSA-N 1 2 360.461 2.532 20 30 FFEDLO N#Cc1c2c(cnc1N1C[C@@H]3[C@H](C1)OCC[N@H+]3Cc1ccccc1)CCC2 ZINC000425263784 513481375 /nfs/dbraw/zinc/48/13/75/513481375.db2.gz VCZWWWFNLTWJOA-RTWAWAEBSA-N 1 2 360.461 2.532 20 30 FFEDLO N#C[C@H]1CC[C@@H](NC(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000425413116 513552518 /nfs/dbraw/zinc/55/25/18/513552518.db2.gz GGJAIDVOTIYDAP-CMPLNLGQSA-N 1 2 362.231 2.588 20 30 FFEDLO N#C[C@H]1CC[C@@H](NC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000425443267 513569017 /nfs/dbraw/zinc/56/90/17/513569017.db2.gz LMMOXCRYJNAZPR-RRFJBIMHSA-N 1 2 362.424 2.921 20 30 FFEDLO N#C[C@H]1CC[C@@H](NC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000425443267 513569020 /nfs/dbraw/zinc/56/90/20/513569020.db2.gz LMMOXCRYJNAZPR-RRFJBIMHSA-N 1 2 362.424 2.921 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000425530079 513622214 /nfs/dbraw/zinc/62/22/14/513622214.db2.gz DJSJXNZSSIZCAE-HNNXBMFYSA-N 1 2 353.447 2.897 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000425530079 513622217 /nfs/dbraw/zinc/62/22/17/513622217.db2.gz DJSJXNZSSIZCAE-HNNXBMFYSA-N 1 2 353.447 2.897 20 30 FFEDLO COc1cc(-c2noc(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)n2)ncn1 ZINC000425539278 513627027 /nfs/dbraw/zinc/62/70/27/513627027.db2.gz TYAVRIXLWOQCCN-GFCCVEGCSA-N 1 2 350.382 2.600 20 30 FFEDLO COc1cc(-c2noc(C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)n2)ncn1 ZINC000425539278 513627033 /nfs/dbraw/zinc/62/70/33/513627033.db2.gz TYAVRIXLWOQCCN-GFCCVEGCSA-N 1 2 350.382 2.600 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451275441 513643910 /nfs/dbraw/zinc/64/39/10/513643910.db2.gz YKEZYEWDPSEXFQ-MFMILTCTSA-N 1 2 367.424 2.685 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451275441 513643922 /nfs/dbraw/zinc/64/39/22/513643922.db2.gz YKEZYEWDPSEXFQ-MFMILTCTSA-N 1 2 367.424 2.685 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000425572019 513646044 /nfs/dbraw/zinc/64/60/44/513646044.db2.gz ISHJPFUJWLSDID-WMZOPIPTSA-N 1 2 363.889 2.758 20 30 FFEDLO C=CCN1C(=O)N(Cc2cn3ccccc3[nH+]2)C(=O)[C@H]1Cc1ccccc1 ZINC000430891490 513774472 /nfs/dbraw/zinc/77/44/72/513774472.db2.gz ULZHHGPLCLRKKI-GOSISDBHSA-N 1 2 360.417 2.896 20 30 FFEDLO COC1(C(F)(F)F)CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000419330868 513779398 /nfs/dbraw/zinc/77/93/98/513779398.db2.gz PYNOCJNMKFHSAO-GFCCVEGCSA-N 1 2 355.360 2.929 20 30 FFEDLO C=CCc1cc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)cc(OC)c1O ZINC000425989280 513817970 /nfs/dbraw/zinc/81/79/70/513817970.db2.gz JRKJMJAYGSPZSM-GOSISDBHSA-N 1 2 373.497 2.707 20 30 FFEDLO C=CCc1cc(C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)cc(OC)c1O ZINC000425989280 513817975 /nfs/dbraw/zinc/81/79/75/513817975.db2.gz JRKJMJAYGSPZSM-GOSISDBHSA-N 1 2 373.497 2.707 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@@H+]1CCO[C@H](CC)C1)c1ccc(F)c(F)c1 ZINC000426227436 513876764 /nfs/dbraw/zinc/87/67/64/513876764.db2.gz LRXJUIFGZBQOBT-QAPCUYQASA-N 1 2 367.440 2.992 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@H+]1CCO[C@H](CC)C1)c1ccc(F)c(F)c1 ZINC000426227436 513876771 /nfs/dbraw/zinc/87/67/71/513876771.db2.gz LRXJUIFGZBQOBT-QAPCUYQASA-N 1 2 367.440 2.992 20 30 FFEDLO C=CCc1cc(CNC(=O)N(C)CCCn2cc[nH+]c2)cc(OC)c1OC ZINC000426317605 513901259 /nfs/dbraw/zinc/90/12/59/513901259.db2.gz NMOIVURNHOXBPU-UHFFFAOYSA-N 1 2 372.469 2.861 20 30 FFEDLO N#CC1(CNC(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCC1 ZINC000419816546 513940558 /nfs/dbraw/zinc/94/05/58/513940558.db2.gz LCLPGLXCCGRBLC-UHFFFAOYSA-N 1 2 350.378 2.622 20 30 FFEDLO CCOC(=O)c1c(C)oc2ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc21 ZINC000414154649 513992439 /nfs/dbraw/zinc/99/24/39/513992439.db2.gz ZWCFQLVFRYZPIN-CQSZACIVSA-N 1 2 360.410 2.503 20 30 FFEDLO CCOC(=O)c1c(C)oc2ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc21 ZINC000414154649 513992447 /nfs/dbraw/zinc/99/24/47/513992447.db2.gz ZWCFQLVFRYZPIN-CQSZACIVSA-N 1 2 360.410 2.503 20 30 FFEDLO CN(C)C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000451983777 514109861 /nfs/dbraw/zinc/10/98/61/514109861.db2.gz CPFOQNDPGDVVLC-INIZCTEOSA-N 1 2 353.388 2.793 20 30 FFEDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000451983777 514109867 /nfs/dbraw/zinc/10/98/67/514109867.db2.gz CPFOQNDPGDVVLC-INIZCTEOSA-N 1 2 353.388 2.793 20 30 FFEDLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000432270376 514143479 /nfs/dbraw/zinc/14/34/79/514143479.db2.gz MLROZLRTGMTJKQ-GOSISDBHSA-N 1 2 366.446 2.833 20 30 FFEDLO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1ccc(C#N)s1 ZINC000432280897 514146834 /nfs/dbraw/zinc/14/68/34/514146834.db2.gz AYASBNPXKRVNEQ-HNNXBMFYSA-N 1 2 358.448 2.753 20 30 FFEDLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000432288059 514148784 /nfs/dbraw/zinc/14/87/84/514148784.db2.gz YLWACZGKLWRHRW-QGZVFWFLSA-N 1 2 370.409 2.831 20 30 FFEDLO N#Cc1ccc2ncc(C[N@@H+]3C[C@H](c4ccccc4)[C@](F)(CO)C3)n2c1 ZINC000449421698 514203625 /nfs/dbraw/zinc/20/36/25/514203625.db2.gz LUSHIJVBGBHDQP-UYAOXDASSA-N 1 2 350.397 2.506 20 30 FFEDLO N#Cc1ccc2ncc(C[N@H+]3C[C@H](c4ccccc4)[C@](F)(CO)C3)n2c1 ZINC000449421698 514203636 /nfs/dbraw/zinc/20/36/36/514203636.db2.gz LUSHIJVBGBHDQP-UYAOXDASSA-N 1 2 350.397 2.506 20 30 FFEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NCc1c[nH+]cn1Cc1ccccc1 ZINC000438290997 514347805 /nfs/dbraw/zinc/34/78/05/514347805.db2.gz JDOKNSJTFGWQHW-UHFFFAOYSA-N 1 2 369.432 2.726 20 30 FFEDLO N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000424165134 514404550 /nfs/dbraw/zinc/40/45/50/514404550.db2.gz DNDSHKVDULOLDW-HOTGVXAUSA-N 1 2 358.490 2.580 20 30 FFEDLO COCc1csc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000438565712 514405877 /nfs/dbraw/zinc/40/58/77/514405877.db2.gz FGAGUFQMUUGMLO-UHFFFAOYSA-N 1 2 371.466 2.511 20 30 FFEDLO N#CCCN(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450040171 514476127 /nfs/dbraw/zinc/47/61/27/514476127.db2.gz FFOMPBIIHIGTKG-UHFFFAOYSA-N 1 2 367.287 2.699 20 30 FFEDLO N#Cc1cc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)c[nH]1 ZINC000488962951 514653240 /nfs/dbraw/zinc/65/32/40/514653240.db2.gz QYKZIEWQTXFGFE-UHFFFAOYSA-N 1 2 359.393 2.775 20 30 FFEDLO C[NH+](C)Cc1ccc(S(=O)(=O)Nc2cc(C#N)c3ccccc3n2)cc1 ZINC000508125106 514678794 /nfs/dbraw/zinc/67/87/94/514678794.db2.gz LUQMZWOLTZPMBM-UHFFFAOYSA-N 1 2 366.446 2.969 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000484558235 514690313 /nfs/dbraw/zinc/69/03/13/514690313.db2.gz PSQJMZRZQXDGMG-LJQANCHMSA-N 1 2 368.433 2.725 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000484558235 514690325 /nfs/dbraw/zinc/69/03/25/514690325.db2.gz PSQJMZRZQXDGMG-LJQANCHMSA-N 1 2 368.433 2.725 20 30 FFEDLO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000470998858 514712660 /nfs/dbraw/zinc/71/26/60/514712660.db2.gz YDYLALZULRYPJA-CRAIPNDOSA-N 1 2 362.905 2.779 20 30 FFEDLO C[C@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000502708537 514746828 /nfs/dbraw/zinc/74/68/28/514746828.db2.gz YNVYYLBIYMSJDM-OAHLLOKOSA-N 1 2 359.433 2.828 20 30 FFEDLO COC(=O)[C@@H](c1ccccc1C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000466839181 514797517 /nfs/dbraw/zinc/79/75/17/514797517.db2.gz YBABYQIOPJHEEZ-OAQYLSRUSA-N 1 2 363.461 2.899 20 30 FFEDLO CC(=O)c1ccc(C#N)c(N2CCC[C@H]([N@H+](C)Cc3noc(C)n3)CC2)c1 ZINC000480254010 514899027 /nfs/dbraw/zinc/89/90/27/514899027.db2.gz WEJYOYOWWFGGMP-SFHVURJKSA-N 1 2 367.453 2.943 20 30 FFEDLO CC(=O)c1ccc(C#N)c(N2CCC[C@H]([N@@H+](C)Cc3noc(C)n3)CC2)c1 ZINC000480254010 514899036 /nfs/dbraw/zinc/89/90/36/514899036.db2.gz WEJYOYOWWFGGMP-SFHVURJKSA-N 1 2 367.453 2.943 20 30 FFEDLO Cn1cc(C#N)cc1C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000471661161 514973657 /nfs/dbraw/zinc/97/36/57/514973657.db2.gz AQXKISPQTHWGTD-UHFFFAOYSA-N 1 2 371.444 2.784 20 30 FFEDLO CC#CCN(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000458672652 515005961 /nfs/dbraw/zinc/00/59/61/515005961.db2.gz YRLMUZSDBYQFSD-NVXWUHKLSA-N 1 2 353.388 2.904 20 30 FFEDLO CC#CCN(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000458672652 515005966 /nfs/dbraw/zinc/00/59/66/515005966.db2.gz YRLMUZSDBYQFSD-NVXWUHKLSA-N 1 2 353.388 2.904 20 30 FFEDLO C[C@@H]1C[C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c2[nH+]ccn21 ZINC000456364050 515131203 /nfs/dbraw/zinc/13/12/03/515131203.db2.gz FUNYDADFMFSIIX-NVXWUHKLSA-N 1 2 365.437 2.732 20 30 FFEDLO Cc1cc(NC(=O)CNc2ccc(C#N)cn2)c[nH+]c1N1CCCC[C@H]1C ZINC000509359001 515140411 /nfs/dbraw/zinc/14/04/11/515140411.db2.gz LRVUOYWQJOGKMS-OAHLLOKOSA-N 1 2 364.453 2.508 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000481430492 515325296 /nfs/dbraw/zinc/32/52/96/515325296.db2.gz BNGIAUWJNNWOIF-BOUXLOLZSA-N 1 2 371.460 2.681 20 30 FFEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)N(C)c1ccccc1C(=O)OC ZINC000491396200 515424996 /nfs/dbraw/zinc/42/49/96/515424996.db2.gz LHGNVICWFMYVNX-UHFFFAOYSA-N 1 2 356.422 2.760 20 30 FFEDLO C=CC[N@H+](CCc1ccco1)CC(=O)N(C)c1ccccc1C(=O)OC ZINC000491396200 515425004 /nfs/dbraw/zinc/42/50/04/515425004.db2.gz LHGNVICWFMYVNX-UHFFFAOYSA-N 1 2 356.422 2.760 20 30 FFEDLO Cc1cc(C)c(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c[nH+]1 ZINC000456838283 515453193 /nfs/dbraw/zinc/45/31/93/515453193.db2.gz LVUOGDBVEMUJNN-MRXNPFEDSA-N 1 2 352.413 2.852 20 30 FFEDLO C=C(C)CS(=O)(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000477473030 515470503 /nfs/dbraw/zinc/47/05/03/515470503.db2.gz CPBRGBLPBISOOK-HOCLYGCPSA-N 1 2 362.417 2.735 20 30 FFEDLO C=C(C)CS(=O)(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000477473030 515470507 /nfs/dbraw/zinc/47/05/07/515470507.db2.gz CPBRGBLPBISOOK-HOCLYGCPSA-N 1 2 362.417 2.735 20 30 FFEDLO C=CC[N@@H+](Cc1cc(COC)on1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000459332406 515476587 /nfs/dbraw/zinc/47/65/87/515476587.db2.gz GOFADVTYOPRREG-AWEZNQCLSA-N 1 2 354.414 2.546 20 30 FFEDLO C=CC[N@H+](Cc1cc(COC)on1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000459332406 515476598 /nfs/dbraw/zinc/47/65/98/515476598.db2.gz GOFADVTYOPRREG-AWEZNQCLSA-N 1 2 354.414 2.546 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000459367285 515504536 /nfs/dbraw/zinc/50/45/36/515504536.db2.gz OIMHKSBQEGSLHP-AWEZNQCLSA-N 1 2 352.398 2.772 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000459367285 515504544 /nfs/dbraw/zinc/50/45/44/515504544.db2.gz OIMHKSBQEGSLHP-AWEZNQCLSA-N 1 2 352.398 2.772 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)C1=O ZINC000499950204 515531151 /nfs/dbraw/zinc/53/11/51/515531151.db2.gz FFVNSIFTMZKJKT-OXJNMPFZSA-N 1 2 365.477 2.736 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)C1=O ZINC000499950204 515531157 /nfs/dbraw/zinc/53/11/57/515531157.db2.gz FFVNSIFTMZKJKT-OXJNMPFZSA-N 1 2 365.477 2.736 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000459442691 515554150 /nfs/dbraw/zinc/55/41/50/515554150.db2.gz PLDCXYXIGBHJFV-AWEZNQCLSA-N 1 2 368.393 2.701 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000459442691 515554160 /nfs/dbraw/zinc/55/41/60/515554160.db2.gz PLDCXYXIGBHJFV-AWEZNQCLSA-N 1 2 368.393 2.701 20 30 FFEDLO N#Cc1ccccc1N1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000505618423 515612411 /nfs/dbraw/zinc/61/24/11/515612411.db2.gz IOQDQAIHAISWND-UHFFFAOYSA-N 1 2 371.444 2.765 20 30 FFEDLO C[C@@H](C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1)c1cccc(C#N)c1 ZINC000463820759 515631245 /nfs/dbraw/zinc/63/12/45/515631245.db2.gz VXTIUHHHTKQSNB-CQSZACIVSA-N 1 2 367.453 2.692 20 30 FFEDLO CCOC(=O)C(C)(C)C1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000510889468 515704186 /nfs/dbraw/zinc/70/41/86/515704186.db2.gz IBHSRTFWTMXEBM-UHFFFAOYSA-N 1 2 363.483 2.860 20 30 FFEDLO N#Cc1cc(F)cc(C2(C(=O)N3CC[NH+](Cc4ccco4)CC3)CC2)c1 ZINC000505897483 515716090 /nfs/dbraw/zinc/71/60/90/515716090.db2.gz FVRBZBDJELNYKX-UHFFFAOYSA-N 1 2 353.397 2.666 20 30 FFEDLO CC(C)(C)[C@](C)(C#N)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000464170071 515731385 /nfs/dbraw/zinc/73/13/85/515731385.db2.gz QOBJKSWHEUKOOI-FQEVSTJZSA-N 1 2 367.453 2.970 20 30 FFEDLO Cc1cc(Cl)ccc1C[NH+]1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000511057813 515761613 /nfs/dbraw/zinc/76/16/13/515761613.db2.gz BSJXFJRSVXCJRO-INIZCTEOSA-N 1 2 374.916 2.717 20 30 FFEDLO Cc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)nn1-c1cccc(C#N)c1 ZINC000506189389 515810916 /nfs/dbraw/zinc/81/09/16/515810916.db2.gz ITEMEQVLOLMOHV-UHFFFAOYSA-N 1 2 360.421 2.726 20 30 FFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000500686915 515816776 /nfs/dbraw/zinc/81/67/76/515816776.db2.gz WXGSFNOKRSJBQQ-UHFFFAOYSA-N 1 2 373.416 2.879 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(C#N)ccn1)c1ccc(Cl)cc1 ZINC000478596398 515886690 /nfs/dbraw/zinc/88/66/90/515886690.db2.gz XNWWWGOMZIFFKZ-MRXNPFEDSA-N 1 2 351.797 2.860 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(OC(F)F)c1 ZINC000506635952 515939596 /nfs/dbraw/zinc/93/95/96/515939596.db2.gz YUNRYOITNQFWLH-UHFFFAOYSA-N 1 2 374.391 2.885 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc(Cl)c1OC ZINC000506686199 515953404 /nfs/dbraw/zinc/95/34/04/515953404.db2.gz CHISJQITFRVJFX-UHFFFAOYSA-N 1 2 372.856 2.946 20 30 FFEDLO COc1cc(C)c(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(C)c1C ZINC000494947977 516016472 /nfs/dbraw/zinc/01/64/72/516016472.db2.gz HZCICYKISKDAJM-UHFFFAOYSA-N 1 2 374.485 2.700 20 30 FFEDLO N#Cc1ccc(CS(=O)(=O)Cc2[nH+]ccn2CC(F)(F)F)cc1F ZINC000479024855 516033224 /nfs/dbraw/zinc/03/32/24/516033224.db2.gz PEPBKILOVSHABQ-UHFFFAOYSA-N 1 2 361.320 2.571 20 30 FFEDLO N#CC[C@@H](CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)c1ccccc1 ZINC000474409139 516035164 /nfs/dbraw/zinc/03/51/64/516035164.db2.gz CQVZBEGSBGSEJS-IBGZPJMESA-N 1 2 364.449 2.622 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000488177266 516145611 /nfs/dbraw/zinc/14/56/11/516145611.db2.gz LKHMPDVZADCZFH-QGZVFWFLSA-N 1 2 368.481 2.751 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCCC3(F)F)CC2)cc1 ZINC000455406475 516181469 /nfs/dbraw/zinc/18/14/69/516181469.db2.gz ICKIQCXYLXHOFP-QGZVFWFLSA-N 1 2 362.424 2.821 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3ccnn3-c3ccc(F)cc3)CC2)n1 ZINC000474927891 516239218 /nfs/dbraw/zinc/23/92/18/516239218.db2.gz RTZVNVARLJODPF-UHFFFAOYSA-N 1 2 362.412 2.600 20 30 FFEDLO COc1ccc(C[NH+]2CCN(CCOc3ccccc3C#N)CC2)cc1F ZINC000497621029 516328186 /nfs/dbraw/zinc/32/81/86/516328186.db2.gz RQZBFSJKCUKISP-UHFFFAOYSA-N 1 2 369.440 2.903 20 30 FFEDLO C[C@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000554245738 516341487 /nfs/dbraw/zinc/34/14/87/516341487.db2.gz PNJKNBDBQQUGAT-HNNXBMFYSA-N 1 2 366.446 2.843 20 30 FFEDLO CC1(C#N)CC[NH+]([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000543717989 516388576 /nfs/dbraw/zinc/38/85/76/516388576.db2.gz LTWOENGEDVVZSX-CQSZACIVSA-N 1 2 365.355 2.963 20 30 FFEDLO COC(=O)c1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)NC1(C#N)CCCCC1)CC2 ZINC000540046890 516418649 /nfs/dbraw/zinc/41/86/49/516418649.db2.gz GDVXTDVLPDBLBN-HNNXBMFYSA-N 1 2 369.465 2.562 20 30 FFEDLO COC(=O)c1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)NC1(C#N)CCCCC1)CC2 ZINC000540046890 516418657 /nfs/dbraw/zinc/41/86/57/516418657.db2.gz GDVXTDVLPDBLBN-HNNXBMFYSA-N 1 2 369.465 2.562 20 30 FFEDLO CCn1ccnc1[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000528483520 516471537 /nfs/dbraw/zinc/47/15/37/516471537.db2.gz AXQQUQGTIDEXHU-ZWKOTPCHSA-N 1 2 354.454 2.742 20 30 FFEDLO CCn1ccnc1[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000528483520 516471547 /nfs/dbraw/zinc/47/15/47/516471547.db2.gz AXQQUQGTIDEXHU-ZWKOTPCHSA-N 1 2 354.454 2.742 20 30 FFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000517909912 516489417 /nfs/dbraw/zinc/48/94/17/516489417.db2.gz RAZIUHXFGFUPSU-QZTJIDSGSA-N 1 2 372.513 2.835 20 30 FFEDLO COC(=O)c1cccc(C[NH2+][C@H](CO)c2cccc(Cl)c2F)c1C#N ZINC000531701665 516603022 /nfs/dbraw/zinc/60/30/22/516603022.db2.gz AWQZCAANBABORY-MRXNPFEDSA-N 1 2 362.788 2.961 20 30 FFEDLO C=CCOC[C@@H]([NH2+][C@@H]1CCc2cccc(Br)c2C1)C(=O)OC ZINC000513405763 516609182 /nfs/dbraw/zinc/60/91/82/516609182.db2.gz IMWHWBJEHOLMTN-CZUORRHYSA-N 1 2 368.271 2.640 20 30 FFEDLO Cc1ccccc1C[C@H](C)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000554737175 516611400 /nfs/dbraw/zinc/61/14/00/516611400.db2.gz NIFZRZVTMUWXJW-INIZCTEOSA-N 1 2 357.479 2.598 20 30 FFEDLO Cc1ccccc1C[C@H](C)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000554737175 516611410 /nfs/dbraw/zinc/61/14/10/516611410.db2.gz NIFZRZVTMUWXJW-INIZCTEOSA-N 1 2 357.479 2.598 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCc1ccc(Br)s1 ZINC000518383461 516636676 /nfs/dbraw/zinc/63/66/76/516636676.db2.gz LJWJRFLEIHNGET-AWEZNQCLSA-N 1 2 358.305 2.793 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000547970920 516667342 /nfs/dbraw/zinc/66/73/42/516667342.db2.gz YZNOJSMRPQRMLU-WBMJQRKESA-N 1 2 359.495 2.672 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000547970920 516667347 /nfs/dbraw/zinc/66/73/47/516667347.db2.gz YZNOJSMRPQRMLU-WBMJQRKESA-N 1 2 359.495 2.672 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000561590625 516668320 /nfs/dbraw/zinc/66/83/20/516668320.db2.gz HARAFIZJVWBQLQ-KRWDZBQOSA-N 1 2 373.478 2.965 20 30 FFEDLO N#C[C@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513676915 516714847 /nfs/dbraw/zinc/71/48/47/516714847.db2.gz MZJXKUOLQMNWFH-VBKZILBWSA-N 1 2 351.381 2.550 20 30 FFEDLO N#C[C@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513676915 516714856 /nfs/dbraw/zinc/71/48/56/516714856.db2.gz MZJXKUOLQMNWFH-VBKZILBWSA-N 1 2 351.381 2.550 20 30 FFEDLO N#Cc1cccc(NCC(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c1 ZINC000513995170 516825631 /nfs/dbraw/zinc/82/56/31/516825631.db2.gz UJJDZQYLCQDEFS-GOSISDBHSA-N 1 2 354.841 2.797 20 30 FFEDLO COc1ccc(Br)cc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000532271534 516883015 /nfs/dbraw/zinc/88/30/15/516883015.db2.gz AFWGIXOZOMZHGZ-INIZCTEOSA-N 1 2 374.238 2.646 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)c(C#N)c1C ZINC000519176960 516912269 /nfs/dbraw/zinc/91/22/69/516912269.db2.gz OSKCQPHLUIFJOH-MRXNPFEDSA-N 1 2 355.442 2.566 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)c(C#N)c1C ZINC000519176960 516912278 /nfs/dbraw/zinc/91/22/78/516912278.db2.gz OSKCQPHLUIFJOH-MRXNPFEDSA-N 1 2 355.442 2.566 20 30 FFEDLO N#Cc1cccc(CS(=O)(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000541189219 516920007 /nfs/dbraw/zinc/92/00/07/516920007.db2.gz HVBLBPXSTKPTQT-UHFFFAOYSA-N 1 2 372.494 2.777 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000532351935 516929721 /nfs/dbraw/zinc/92/97/21/516929721.db2.gz BNGIUEYHGHUQTD-MGPUTAFESA-N 1 2 371.460 2.589 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000532351935 516929724 /nfs/dbraw/zinc/92/97/24/516929724.db2.gz BNGIUEYHGHUQTD-MGPUTAFESA-N 1 2 371.460 2.589 20 30 FFEDLO CC(C)[N@H+](Cc1cnc2c(C#N)cnn2c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000514603341 516958154 /nfs/dbraw/zinc/95/81/54/516958154.db2.gz DXKCIVUNNNSLPJ-UHFFFAOYSA-N 1 2 373.420 2.660 20 30 FFEDLO CC(C)[N@@H+](Cc1cnc2c(C#N)cnn2c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000514603341 516958158 /nfs/dbraw/zinc/95/81/58/516958158.db2.gz DXKCIVUNNNSLPJ-UHFFFAOYSA-N 1 2 373.420 2.660 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000519450080 517004150 /nfs/dbraw/zinc/00/41/50/517004150.db2.gz QQBUIMUUMLIRNZ-HUUCEWRRSA-N 1 2 362.499 2.781 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000519450080 517004156 /nfs/dbraw/zinc/00/41/56/517004156.db2.gz QQBUIMUUMLIRNZ-HUUCEWRRSA-N 1 2 362.499 2.781 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1csc2nc(-c3ccccc3)cn12 ZINC000562322831 517031566 /nfs/dbraw/zinc/03/15/66/517031566.db2.gz QQWFLGDCCFBWGT-IBGZPJMESA-N 1 2 367.478 2.565 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(OCCc3ccccc3)CC2)cc1 ZINC000532578367 517043715 /nfs/dbraw/zinc/04/37/15/517043715.db2.gz UYDIXXVMNNNKHF-OAQYLSRUSA-N 1 2 363.461 2.808 20 30 FFEDLO Cc1ccccc1[C@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000525640110 517099375 /nfs/dbraw/zinc/09/93/75/517099375.db2.gz PZNOGKBIODUAPU-WIYYLYMNSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1ccccc1[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000525640110 517099383 /nfs/dbraw/zinc/09/93/83/517099383.db2.gz PZNOGKBIODUAPU-WIYYLYMNSA-N 1 2 352.434 2.680 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c1C#N ZINC000545226105 517116374 /nfs/dbraw/zinc/11/63/74/517116374.db2.gz WJJVQXWDTBHJSU-QGZVFWFLSA-N 1 2 370.371 2.870 20 30 FFEDLO COc1cc(C#N)ccc1NC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000514929860 517129736 /nfs/dbraw/zinc/12/97/36/517129736.db2.gz XKRNOYZODJXDNJ-UHFFFAOYSA-N 1 2 361.405 2.771 20 30 FFEDLO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000562477652 517133592 /nfs/dbraw/zinc/13/35/92/517133592.db2.gz MWBQCYZBXVOSKD-AUUYWEPGSA-N 1 2 360.889 2.659 20 30 FFEDLO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000562477652 517133603 /nfs/dbraw/zinc/13/36/03/517133603.db2.gz MWBQCYZBXVOSKD-AUUYWEPGSA-N 1 2 360.889 2.659 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000555880029 517164556 /nfs/dbraw/zinc/16/45/56/517164556.db2.gz HVNYXOCWHQKCEF-ZWKOTPCHSA-N 1 2 352.438 2.631 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000555880029 517164566 /nfs/dbraw/zinc/16/45/66/517164566.db2.gz HVNYXOCWHQKCEF-ZWKOTPCHSA-N 1 2 352.438 2.631 20 30 FFEDLO COc1cc(C#N)ccc1OCC(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000548719060 517164912 /nfs/dbraw/zinc/16/49/12/517164912.db2.gz XWHLKRPVQGSMIT-UHFFFAOYSA-N 1 2 365.393 2.527 20 30 FFEDLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)o1 ZINC000541686850 517172096 /nfs/dbraw/zinc/17/20/96/517172096.db2.gz LZUZVPBBPHGZHN-LSDHHAIUSA-N 1 2 355.442 2.981 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)CC1(C#N)CCCC1 ZINC000545364012 517200320 /nfs/dbraw/zinc/20/03/20/517200320.db2.gz FJAUDDDMUIJYIJ-QGZVFWFLSA-N 1 2 361.511 2.606 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)CC1(C#N)CCCC1 ZINC000545364012 517200331 /nfs/dbraw/zinc/20/03/31/517200331.db2.gz FJAUDDDMUIJYIJ-QGZVFWFLSA-N 1 2 361.511 2.606 20 30 FFEDLO C=CCc1cc(C[NH2+]Cc2ncn(-c3ccccc3)n2)cc(OC)c1O ZINC000559358363 517211020 /nfs/dbraw/zinc/21/10/20/517211020.db2.gz KSNNPHJWBUKJHZ-UHFFFAOYSA-N 1 2 350.422 3.000 20 30 FFEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]CC(=O)NC3(C#N)CCC3)n2)cc1 ZINC000525886629 517218591 /nfs/dbraw/zinc/21/85/91/517218591.db2.gz INEOQTFSBAGUSS-ZDUSSCGKSA-N 1 2 353.426 2.512 20 30 FFEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000533024332 517256831 /nfs/dbraw/zinc/25/68/31/517256831.db2.gz VLVPUYGUBKFHLX-QAPCUYQASA-N 1 2 357.454 2.528 20 30 FFEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000533024332 517256842 /nfs/dbraw/zinc/25/68/42/517256842.db2.gz VLVPUYGUBKFHLX-QAPCUYQASA-N 1 2 357.454 2.528 20 30 FFEDLO C[C@H](C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1)[NH+]1CCSCC1 ZINC000533089868 517288402 /nfs/dbraw/zinc/28/84/02/517288402.db2.gz IEXNEPLJWXSEJO-BXUZGUMPSA-N 1 2 373.400 2.703 20 30 FFEDLO N#Cc1ccc(C(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)s1 ZINC000526014548 517292449 /nfs/dbraw/zinc/29/24/49/517292449.db2.gz CCHHBHFIRASXIT-UHFFFAOYSA-N 1 2 366.368 2.996 20 30 FFEDLO CNC(=O)N1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000526062285 517319691 /nfs/dbraw/zinc/31/96/91/517319691.db2.gz UDIGEAKUJJSKBZ-UHFFFAOYSA-N 1 2 364.449 2.594 20 30 FFEDLO CCc1ccccc1NC(=O)C[N@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000533238526 517358497 /nfs/dbraw/zinc/35/84/97/517358497.db2.gz RTMSVYPGDFWXIG-FOIQADDNSA-N 1 2 358.486 2.562 20 30 FFEDLO CCc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000533238526 517358502 /nfs/dbraw/zinc/35/85/02/517358502.db2.gz RTMSVYPGDFWXIG-FOIQADDNSA-N 1 2 358.486 2.562 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000529833456 517378781 /nfs/dbraw/zinc/37/87/81/517378781.db2.gz SNLUJTPIFWDAAI-OAHLLOKOSA-N 1 2 371.387 2.849 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000529833456 517378793 /nfs/dbraw/zinc/37/87/93/517378793.db2.gz SNLUJTPIFWDAAI-OAHLLOKOSA-N 1 2 371.387 2.849 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)c(OC)c2)CC1 ZINC000549111574 517404446 /nfs/dbraw/zinc/40/44/46/517404446.db2.gz AUFSDDYLQXONPL-MRXNPFEDSA-N 1 2 361.461 2.545 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000533345557 517417537 /nfs/dbraw/zinc/41/75/37/517417537.db2.gz LAYCWXQQMMFWCU-INIZCTEOSA-N 1 2 371.448 2.516 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000533345557 517417543 /nfs/dbraw/zinc/41/75/43/517417543.db2.gz LAYCWXQQMMFWCU-INIZCTEOSA-N 1 2 371.448 2.516 20 30 FFEDLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000526984315 517432121 /nfs/dbraw/zinc/43/21/21/517432121.db2.gz JTNUVQATUUMMSP-UHFFFAOYSA-N 1 2 352.316 2.804 20 30 FFEDLO C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000549277288 517490939 /nfs/dbraw/zinc/49/09/39/517490939.db2.gz BAYPSFZWVUFOPS-UHFFFAOYSA-N 1 2 369.517 2.868 20 30 FFEDLO C=C1CC[NH+](CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)CC1 ZINC000520847962 517533265 /nfs/dbraw/zinc/53/32/65/517533265.db2.gz AHOKSUZOCJARPY-UHFFFAOYSA-N 1 2 356.466 2.995 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CN(c2nc3c(cc2C#N)CCCC3(C)C)CCN1C ZINC000530427453 517769722 /nfs/dbraw/zinc/76/97/22/517769722.db2.gz KYEBSIINCFWPGD-QGZVFWFLSA-N 1 2 364.497 2.794 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)c1C#N ZINC000530519452 517825656 /nfs/dbraw/zinc/82/56/56/517825656.db2.gz YQNFSTOMURJFNW-UHFFFAOYSA-N 1 2 362.437 2.577 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C)Cc1cccc(C#N)c1 ZINC000521714467 517837660 /nfs/dbraw/zinc/83/76/60/517837660.db2.gz IPWIYWOXPKVRCA-APWZRJJASA-N 1 2 368.481 2.951 20 30 FFEDLO C=CC[N@H+](CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C)Cc1cccc(C#N)c1 ZINC000521714467 517837669 /nfs/dbraw/zinc/83/76/69/517837669.db2.gz IPWIYWOXPKVRCA-APWZRJJASA-N 1 2 368.481 2.951 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](CCC2CCCCC2)CC(N)=O)c1C#N ZINC000534475546 517906665 /nfs/dbraw/zinc/90/66/65/517906665.db2.gz YXACPARTEODZKN-UHFFFAOYSA-N 1 2 357.454 2.603 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](CCC2CCCCC2)CC(N)=O)c1C#N ZINC000534475546 517906672 /nfs/dbraw/zinc/90/66/72/517906672.db2.gz YXACPARTEODZKN-UHFFFAOYSA-N 1 2 357.454 2.603 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000516922680 517918582 /nfs/dbraw/zinc/91/85/82/517918582.db2.gz MDLGZTUCSLKHHS-CQSZACIVSA-N 1 2 367.371 2.753 20 30 FFEDLO N#Cc1csc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2=O)n1 ZINC000527797738 517919667 /nfs/dbraw/zinc/91/96/67/517919667.db2.gz PFYWYUMIGHUUIK-LBPRGKRZSA-N 1 2 350.806 2.702 20 30 FFEDLO COc1ccc2nc(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)[nH]c2n1 ZINC000546930311 517926731 /nfs/dbraw/zinc/92/67/31/517926731.db2.gz GOUSXJPESGGUMG-UHFFFAOYSA-N 1 2 363.421 2.882 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@H](OCc3ccncc3)C2)c1C#N ZINC000553893067 517955466 /nfs/dbraw/zinc/95/54/66/517955466.db2.gz AWTKMVDWYJDNMT-KRWDZBQOSA-N 1 2 351.406 2.531 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CC[C@H](OCc3ccncc3)C2)c1C#N ZINC000553893067 517955475 /nfs/dbraw/zinc/95/54/75/517955475.db2.gz AWTKMVDWYJDNMT-KRWDZBQOSA-N 1 2 351.406 2.531 20 30 FFEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000550472684 518076012 /nfs/dbraw/zinc/07/60/12/518076012.db2.gz XXESLWSWYHYYOD-HNNXBMFYSA-N 1 2 364.405 2.985 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000563767938 518114998 /nfs/dbraw/zinc/11/49/98/518114998.db2.gz BZUPRXYNEGKFIG-WFASDCNBSA-N 1 2 372.375 2.712 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000563767938 518115005 /nfs/dbraw/zinc/11/50/05/518115005.db2.gz BZUPRXYNEGKFIG-WFASDCNBSA-N 1 2 372.375 2.712 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000522678939 518145470 /nfs/dbraw/zinc/14/54/70/518145470.db2.gz BSNQHZLPXKASNE-INIZCTEOSA-N 1 2 351.797 2.860 20 30 FFEDLO N#Cc1cnn2cc(C[N@H+]3CCC(C(F)(F)F)(C(F)(F)F)C3)cnc12 ZINC000578508017 518244523 /nfs/dbraw/zinc/24/45/23/518244523.db2.gz IOPQGXIRJZHNEJ-UHFFFAOYSA-N 1 2 363.265 2.918 20 30 FFEDLO N#Cc1cnn2cc(C[N@@H+]3CCC(C(F)(F)F)(C(F)(F)F)C3)cnc12 ZINC000578508017 518244529 /nfs/dbraw/zinc/24/45/29/518244529.db2.gz IOPQGXIRJZHNEJ-UHFFFAOYSA-N 1 2 363.265 2.918 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000566969684 518289594 /nfs/dbraw/zinc/28/95/94/518289594.db2.gz JXZDSIBEOWTHFW-HXUWFJFHSA-N 1 2 351.450 2.907 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000566969684 518289596 /nfs/dbraw/zinc/28/95/96/518289596.db2.gz JXZDSIBEOWTHFW-HXUWFJFHSA-N 1 2 351.450 2.907 20 30 FFEDLO CCOC(=O)c1cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)[nH]c1C ZINC000575871378 518320183 /nfs/dbraw/zinc/32/01/83/518320183.db2.gz YNBCTJJOZWMUEO-UHFFFAOYSA-N 1 2 352.438 2.952 20 30 FFEDLO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000581551669 518341200 /nfs/dbraw/zinc/34/12/00/518341200.db2.gz VUTQJSRWJSNKEF-QGZVFWFLSA-N 1 2 364.421 2.970 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)c(F)c1 ZINC000578732726 518347857 /nfs/dbraw/zinc/34/78/57/518347857.db2.gz HVSZTGKUPBYWNX-RVKKMQEKSA-N 1 2 365.424 2.744 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)c(F)c1 ZINC000578732726 518347860 /nfs/dbraw/zinc/34/78/60/518347860.db2.gz HVSZTGKUPBYWNX-RVKKMQEKSA-N 1 2 365.424 2.744 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000564271005 518375425 /nfs/dbraw/zinc/37/54/25/518375425.db2.gz LCPSNTHCNQCKLE-MRXNPFEDSA-N 1 2 366.252 2.753 20 30 FFEDLO Cc1ccccc1-c1nc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)no1 ZINC000567225934 518415969 /nfs/dbraw/zinc/41/59/69/518415969.db2.gz VLGNIVIPAGJTSM-INIZCTEOSA-N 1 2 361.405 2.965 20 30 FFEDLO Cc1ccccc1-c1nc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)no1 ZINC000567225934 518415979 /nfs/dbraw/zinc/41/59/79/518415979.db2.gz VLGNIVIPAGJTSM-INIZCTEOSA-N 1 2 361.405 2.965 20 30 FFEDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)c(C)c1 ZINC000573156935 518531769 /nfs/dbraw/zinc/53/17/69/518531769.db2.gz KCZSPCAOMQDCNW-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1nc(C#N)cs1 ZINC000564761315 518600453 /nfs/dbraw/zinc/60/04/53/518600453.db2.gz VXOBXKCAFZEZMF-UHFFFAOYSA-N 1 2 365.256 2.814 20 30 FFEDLO N#Cc1cnc(C[NH+]2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)nc1 ZINC000579453757 518687915 /nfs/dbraw/zinc/68/79/15/518687915.db2.gz PHURGRTUGZGUCB-GOSISDBHSA-N 1 2 367.840 2.950 20 30 FFEDLO COc1ccc2nc(C3CC3)cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2c1 ZINC000576640130 518688604 /nfs/dbraw/zinc/68/86/04/518688604.db2.gz GDSNGSJGPCXGMZ-FQEVSTJZSA-N 1 2 352.438 2.694 20 30 FFEDLO Cc1nc(COc2cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2)cs1 ZINC000576644111 518692093 /nfs/dbraw/zinc/69/20/93/518692093.db2.gz WKOIPOIPWRWTAK-GOSISDBHSA-N 1 2 358.467 2.604 20 30 FFEDLO COc1cc(C[NH+]2CCN(C(=O)CCCCCC#N)CC2)cc(OC)c1 ZINC000588160502 518737920 /nfs/dbraw/zinc/73/79/20/518737920.db2.gz XPEQXHZQXNGNHL-UHFFFAOYSA-N 1 2 359.470 2.822 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C#N)cc1 ZINC000582408776 518738906 /nfs/dbraw/zinc/73/89/06/518738906.db2.gz IPGMVUOVTRJXSA-UHFFFAOYSA-N 1 2 359.376 2.924 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C#N)cc1 ZINC000582408776 518738911 /nfs/dbraw/zinc/73/89/11/518738911.db2.gz IPGMVUOVTRJXSA-UHFFFAOYSA-N 1 2 359.376 2.924 20 30 FFEDLO C=CCC[C@@H](C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1)c1ccccc1 ZINC000570934730 518850989 /nfs/dbraw/zinc/85/09/89/518850989.db2.gz QCFYZPADCMTASX-RBUKOAKNSA-N 1 2 367.493 2.907 20 30 FFEDLO N#Cc1ccc2c(c1)N(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)CC2 ZINC000573866936 518872449 /nfs/dbraw/zinc/87/24/49/518872449.db2.gz PBYBHKZBHDWFOZ-UHFFFAOYSA-N 1 2 359.345 2.855 20 30 FFEDLO Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000571021665 518888248 /nfs/dbraw/zinc/88/82/48/518888248.db2.gz JNZWBLLGLVGDGV-GOSISDBHSA-N 1 2 350.422 2.662 20 30 FFEDLO Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000571021665 518888254 /nfs/dbraw/zinc/88/82/54/518888254.db2.gz JNZWBLLGLVGDGV-GOSISDBHSA-N 1 2 350.422 2.662 20 30 FFEDLO COc1cc2c(cc1C[NH+]1CCN(c3cnccc3C#N)CC1)O[C@@H](C)C2 ZINC000568347089 518990637 /nfs/dbraw/zinc/99/06/37/518990637.db2.gz LMJWKZZNKZBTKG-HNNXBMFYSA-N 1 2 364.449 2.607 20 30 FFEDLO COc1cc(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)ccc1C#N ZINC000589627857 519047369 /nfs/dbraw/zinc/04/73/69/519047369.db2.gz JCQSGNLSBWPUGU-UHFFFAOYSA-N 1 2 370.478 2.656 20 30 FFEDLO N#Cc1cc(C(=O)NCC[NH+]2Cc3ccccc3C2)cnc1C(F)(F)F ZINC000590179026 519168436 /nfs/dbraw/zinc/16/84/36/519168436.db2.gz ZGXSXPSYJXIAEJ-UHFFFAOYSA-N 1 2 360.339 2.718 20 30 FFEDLO Cc1nc(SCC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c(C#N)c(C)c1C ZINC000565943853 519210036 /nfs/dbraw/zinc/21/00/36/519210036.db2.gz WCYVHHBLRFZYIW-QGZVFWFLSA-N 1 2 369.494 2.972 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000571689280 519223086 /nfs/dbraw/zinc/22/30/86/519223086.db2.gz OYAYXNQFYFTQOT-LZWOXQAQSA-N 1 2 355.360 2.649 20 30 FFEDLO CNc1nc(N2CCCN(c3ccccc3C#N)CC2)[nH+]c2ccccc21 ZINC000590685925 519315629 /nfs/dbraw/zinc/31/56/29/519315629.db2.gz DYFCGLLIXASBQC-UHFFFAOYSA-N 1 2 358.449 2.682 20 30 FFEDLO C=CCOc1cccc(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)c1 ZINC000577905765 519316668 /nfs/dbraw/zinc/31/66/68/519316668.db2.gz LIXKBFIBFADYMI-GOSISDBHSA-N 1 2 370.453 2.687 20 30 FFEDLO C=CCOc1cccc(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)c1 ZINC000577905765 519316679 /nfs/dbraw/zinc/31/66/79/519316679.db2.gz LIXKBFIBFADYMI-GOSISDBHSA-N 1 2 370.453 2.687 20 30 FFEDLO CCOC(=O)c1cc2cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc2s1 ZINC000566124962 519317533 /nfs/dbraw/zinc/31/75/33/519317533.db2.gz LXANMCTZAKRXCQ-OAHLLOKOSA-N 1 2 361.467 2.696 20 30 FFEDLO CCOC(=O)c1cc2cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc2s1 ZINC000566124962 519317540 /nfs/dbraw/zinc/31/75/40/519317540.db2.gz LXANMCTZAKRXCQ-OAHLLOKOSA-N 1 2 361.467 2.696 20 30 FFEDLO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000580751789 519336497 /nfs/dbraw/zinc/33/64/97/519336497.db2.gz UDAFZDVTJPDRQL-INIZCTEOSA-N 1 2 358.467 2.845 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2cccc(Cl)c2C#N)CC1(C)C ZINC000590759295 519354801 /nfs/dbraw/zinc/35/48/01/519354801.db2.gz XPJIHGLDYYJWAC-CQSZACIVSA-N 1 2 364.858 2.717 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2c2ccc(F)cc2)cc1 ZINC000590761609 519356608 /nfs/dbraw/zinc/35/66/08/519356608.db2.gz FPKWZZJYBZJXPM-TZIWHRDSSA-N 1 2 370.424 2.705 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@@H]2c2ccc(F)cc2)cc1 ZINC000590761609 519356613 /nfs/dbraw/zinc/35/66/13/519356613.db2.gz FPKWZZJYBZJXPM-TZIWHRDSSA-N 1 2 370.424 2.705 20 30 FFEDLO CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000569107220 519380159 /nfs/dbraw/zinc/38/01/59/519380159.db2.gz XFZCVKOHMZXFBO-YOEHRIQHSA-N 1 2 366.303 2.978 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](CC(=O)NCc1ccc(C#N)c(F)c1)C(F)(F)F ZINC000580844644 519388948 /nfs/dbraw/zinc/38/89/48/519388948.db2.gz QWKSBJVQQVELBU-GFCCVEGCSA-N 1 2 354.307 2.783 20 30 FFEDLO Cc1c(NC[C@H](O)C[N@H+](C)CCC#N)cccc1NC(=O)c1ccccc1 ZINC000578187665 519464246 /nfs/dbraw/zinc/46/42/46/519464246.db2.gz PAOWGHOLRYFCNI-SFHVURJKSA-N 1 2 366.465 2.866 20 30 FFEDLO Cc1c(NC[C@H](O)C[N@@H+](C)CCC#N)cccc1NC(=O)c1ccccc1 ZINC000578187665 519464256 /nfs/dbraw/zinc/46/42/56/519464256.db2.gz PAOWGHOLRYFCNI-SFHVURJKSA-N 1 2 366.465 2.866 20 30 FFEDLO Cc1oc2nc(C[NH+]3CCC(C#N)(c4ccccn4)CC3)nc(N)c2c1C ZINC000569319050 519487907 /nfs/dbraw/zinc/48/79/07/519487907.db2.gz ZUVNDMUAXWWKCN-UHFFFAOYSA-N 1 2 362.437 2.874 20 30 FFEDLO Cc1csc(NC(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c1C#N ZINC000569352126 519507498 /nfs/dbraw/zinc/50/74/98/519507498.db2.gz VHUCJABAWGWAJA-CYBMUJFWSA-N 1 2 371.466 2.870 20 30 FFEDLO CC#CCN(CC[NH+]1CCOCC1)Cc1sccc1Br ZINC000581076002 519511384 /nfs/dbraw/zinc/51/13/84/519511384.db2.gz YAMWSNVFKREBQN-UHFFFAOYSA-N 1 2 357.317 2.668 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(=O)OC)c1C#N ZINC000575141881 519524450 /nfs/dbraw/zinc/52/44/50/519524450.db2.gz HMPKGLAEUYBCDN-UHFFFAOYSA-N 1 2 363.417 2.865 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(=O)OC)c1C#N ZINC000575141881 519524455 /nfs/dbraw/zinc/52/44/55/519524455.db2.gz HMPKGLAEUYBCDN-UHFFFAOYSA-N 1 2 363.417 2.865 20 30 FFEDLO O=C(NCC#Cc1cccc(F)c1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000566514757 519528707 /nfs/dbraw/zinc/52/87/07/519528707.db2.gz KXPNCVSGAXIKNM-UHFFFAOYSA-N 1 2 352.413 2.672 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2Cl)CCN1C ZINC000578434126 519590755 /nfs/dbraw/zinc/59/07/55/519590755.db2.gz HFNWIYUNTLCMJF-MRXNPFEDSA-N 1 2 372.860 2.660 20 30 FFEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000591486505 519928891 /nfs/dbraw/zinc/92/88/91/519928891.db2.gz FVUKFFNMCIEYRG-GOSISDBHSA-N 1 2 363.461 2.929 20 30 FFEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000591486505 519928897 /nfs/dbraw/zinc/92/88/97/519928897.db2.gz FVUKFFNMCIEYRG-GOSISDBHSA-N 1 2 363.461 2.929 20 30 FFEDLO COc1cc(CNC(=O)C[NH2+][C@H](C)CC#N)ccc1OCc1ccccc1 ZINC000602860655 519933355 /nfs/dbraw/zinc/93/33/55/519933355.db2.gz DAUBQTQTDLRFNK-MRXNPFEDSA-N 1 2 367.449 2.782 20 30 FFEDLO CS(=O)(=O)c1ccc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)cc1 ZINC000602907104 519964935 /nfs/dbraw/zinc/96/49/35/519964935.db2.gz LGEJIJMZIZIKSH-UHFFFAOYSA-N 1 2 355.463 2.736 20 30 FFEDLO CCOC(=O)[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000602936936 519981574 /nfs/dbraw/zinc/98/15/74/519981574.db2.gz HIKSRUCPHQDTRO-CVEARBPZSA-N 1 2 352.862 2.705 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)CC2(C#N)CCOCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000597469282 520048216 /nfs/dbraw/zinc/04/82/16/520048216.db2.gz VRFMYLICSMHNIW-FUHWJXTLSA-N 1 2 363.408 2.537 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)CC2(C#N)CCOCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000597469282 520048223 /nfs/dbraw/zinc/04/82/23/520048223.db2.gz VRFMYLICSMHNIW-FUHWJXTLSA-N 1 2 363.408 2.537 20 30 FFEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000591821713 520053390 /nfs/dbraw/zinc/05/33/90/520053390.db2.gz YDDXSWRRKTYMDF-RBUKOAKNSA-N 1 2 365.481 2.624 20 30 FFEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ncncc2C#N)CC1 ZINC000591888615 520069138 /nfs/dbraw/zinc/06/91/38/520069138.db2.gz DFDGQBOBWMXTBM-ZDUSSCGKSA-N 1 2 350.451 2.841 20 30 FFEDLO COc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H](CC#N)C3)C2=O)cc1Cl ZINC000594659818 520071528 /nfs/dbraw/zinc/07/15/28/520071528.db2.gz IFGLKHNLJHYTDY-DOMZBBRYSA-N 1 2 361.829 2.606 20 30 FFEDLO COc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@H](CC#N)C3)C2=O)cc1Cl ZINC000594659818 520071536 /nfs/dbraw/zinc/07/15/36/520071536.db2.gz IFGLKHNLJHYTDY-DOMZBBRYSA-N 1 2 361.829 2.606 20 30 FFEDLO CCCOc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H](CC#N)C3)C2=O)cc1 ZINC000594661140 520072369 /nfs/dbraw/zinc/07/23/69/520072369.db2.gz VVXBZFUYAFCYKW-QAPCUYQASA-N 1 2 355.438 2.733 20 30 FFEDLO CCCOc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@H](CC#N)C3)C2=O)cc1 ZINC000594661140 520072378 /nfs/dbraw/zinc/07/23/78/520072378.db2.gz VVXBZFUYAFCYKW-QAPCUYQASA-N 1 2 355.438 2.733 20 30 FFEDLO N#CC[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000594660839 520072799 /nfs/dbraw/zinc/07/27/99/520072799.db2.gz RQJGNOVIEQLLJF-WFASDCNBSA-N 1 2 365.355 2.963 20 30 FFEDLO N#CC[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000594660839 520072808 /nfs/dbraw/zinc/07/28/08/520072808.db2.gz RQJGNOVIEQLLJF-WFASDCNBSA-N 1 2 365.355 2.963 20 30 FFEDLO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1ccncc1C#N)CC2 ZINC000592075000 520168223 /nfs/dbraw/zinc/16/82/23/520168223.db2.gz VOWJALWZEPKAPS-UHFFFAOYSA-N 1 2 353.422 2.580 20 30 FFEDLO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1ccncc1C#N)CC2 ZINC000592075000 520168227 /nfs/dbraw/zinc/16/82/27/520168227.db2.gz VOWJALWZEPKAPS-UHFFFAOYSA-N 1 2 353.422 2.580 20 30 FFEDLO N#Cc1ccc(Cn2cc(C[NH+]3CCSCC3)nn2)c(C(F)(F)F)c1 ZINC000603252968 520184308 /nfs/dbraw/zinc/18/43/08/520184308.db2.gz XTZAFPLBABPQAQ-UHFFFAOYSA-N 1 2 367.400 2.766 20 30 FFEDLO CN(C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)C(c1ccccc1)c1ccccc1 ZINC000592146803 520224816 /nfs/dbraw/zinc/22/48/16/520224816.db2.gz GHRQZUJNPSMKRH-QFIPXVFZSA-N 1 2 363.461 2.585 20 30 FFEDLO CN(C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)C(c1ccccc1)c1ccccc1 ZINC000592146803 520224825 /nfs/dbraw/zinc/22/48/25/520224825.db2.gz GHRQZUJNPSMKRH-QFIPXVFZSA-N 1 2 363.461 2.585 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3cc(F)ccc3F)CC2)cc1 ZINC000609200010 520230299 /nfs/dbraw/zinc/23/02/99/520230299.db2.gz BSROQSRHYKDOHJ-UHFFFAOYSA-N 1 2 370.403 2.864 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1nnc2n1CCCCC2 ZINC000613063207 520297589 /nfs/dbraw/zinc/29/75/89/520297589.db2.gz SCZSCOADVIKWRX-KGLIPLIRSA-N 1 2 352.442 2.554 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000609486302 520330439 /nfs/dbraw/zinc/33/04/39/520330439.db2.gz HWJLHPSEQQVPQP-LEWJYISDSA-N 1 2 368.525 2.906 20 30 FFEDLO CCN(C(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000609537803 520347362 /nfs/dbraw/zinc/34/73/62/520347362.db2.gz DUAGSZXAPGKJCI-FXAWDEMLSA-N 1 2 374.504 2.901 20 30 FFEDLO N#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1c(Cl)cccc1Cl ZINC000609589250 520368414 /nfs/dbraw/zinc/36/84/14/520368414.db2.gz HESZGAQUASXKDP-ZDUSSCGKSA-N 1 2 373.203 2.964 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)sn1 ZINC000595297393 520391169 /nfs/dbraw/zinc/39/11/69/520391169.db2.gz FERDGOCWVAAFNR-UHFFFAOYSA-N 1 2 365.462 2.894 20 30 FFEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)C(N)=O)cc1 ZINC000609676515 520404757 /nfs/dbraw/zinc/40/47/57/520404757.db2.gz KRYQUJRDKOHAPS-FQEVSTJZSA-N 1 2 364.449 2.981 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000600829766 520491721 /nfs/dbraw/zinc/49/17/21/520491721.db2.gz LXDPUXNHQDHDMT-BXWFABGCSA-N 1 2 360.477 2.701 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000600829136 520491924 /nfs/dbraw/zinc/49/19/24/520491924.db2.gz GCXPDKKMBVGZQW-XLIONFOSSA-N 1 2 372.488 2.821 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+]([C@@H]1CC(=O)N(c3ccccc3F)C1=O)C2 ZINC000600884951 520514024 /nfs/dbraw/zinc/51/40/24/520514024.db2.gz GSJUDEUXAYGPFE-LJQANCHMSA-N 1 2 363.392 2.582 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+]([C@@H]1CC(=O)N(c3ccccc3F)C1=O)C2 ZINC000600884951 520514028 /nfs/dbraw/zinc/51/40/28/520514028.db2.gz GSJUDEUXAYGPFE-LJQANCHMSA-N 1 2 363.392 2.582 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@H](C(F)(F)F)C1)CCC2 ZINC000610079333 520530772 /nfs/dbraw/zinc/53/07/72/520530772.db2.gz PYJAGCCKPATBBY-ZDUSSCGKSA-N 1 2 373.400 2.700 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@H](C(F)(F)F)C1)CCC2 ZINC000610079333 520530778 /nfs/dbraw/zinc/53/07/78/520530778.db2.gz PYJAGCCKPATBBY-ZDUSSCGKSA-N 1 2 373.400 2.700 20 30 FFEDLO CC(C)(C#N)c1ccc(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)cc1 ZINC000598343309 520566212 /nfs/dbraw/zinc/56/62/12/520566212.db2.gz UBCHNBDEJCGXQS-UHFFFAOYSA-N 1 2 355.482 2.672 20 30 FFEDLO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595617551 520597894 /nfs/dbraw/zinc/59/78/94/520597894.db2.gz WVNMWZHBZFEIPY-ZFWWWQNUSA-N 1 2 358.442 2.606 20 30 FFEDLO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595617551 520597902 /nfs/dbraw/zinc/59/79/02/520597902.db2.gz WVNMWZHBZFEIPY-ZFWWWQNUSA-N 1 2 358.442 2.606 20 30 FFEDLO N#Cc1sccc1N1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000595632479 520608885 /nfs/dbraw/zinc/60/88/85/520608885.db2.gz XWTMKCSZBDOLBX-LJQANCHMSA-N 1 2 366.490 2.762 20 30 FFEDLO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632194 520609021 /nfs/dbraw/zinc/60/90/21/520609021.db2.gz MIUZCTDUFSTKPV-GOSISDBHSA-N 1 2 354.479 2.571 20 30 FFEDLO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632209 520609377 /nfs/dbraw/zinc/60/93/77/520609377.db2.gz MIUZCTDUFSTKPV-SFHVURJKSA-N 1 2 354.479 2.571 20 30 FFEDLO C[C@H](C1CC1)N(C(=O)C[NH+]1CCN(c2ccsc2C#N)CC1)C1CC1 ZINC000595632168 520609901 /nfs/dbraw/zinc/60/99/01/520609901.db2.gz VQVIIEDAENHMIJ-CQSZACIVSA-N 1 2 358.511 2.531 20 30 FFEDLO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633571 520611138 /nfs/dbraw/zinc/61/11/38/520611138.db2.gz OSDLARXOESLTMP-OAHLLOKOSA-N 1 2 366.490 2.720 20 30 FFEDLO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633635 520611726 /nfs/dbraw/zinc/61/17/26/520611726.db2.gz RCCLFBHYRYRUAB-CVEARBPZSA-N 1 2 360.527 2.921 20 30 FFEDLO Cc1cc(CNC(=O)N2CCN(c3ccsc3C#N)CC2)cc(C)[nH+]1 ZINC000595652021 520623905 /nfs/dbraw/zinc/62/39/05/520623905.db2.gz KRHPKDPLJUSCOA-UHFFFAOYSA-N 1 2 355.467 2.663 20 30 FFEDLO C[C@@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)c1cccc(C#N)c1 ZINC000610350703 520645619 /nfs/dbraw/zinc/64/56/19/520645619.db2.gz WPGPABVZCBNFGU-LLVKDONJSA-N 1 2 351.332 2.877 20 30 FFEDLO Cc1nc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c(C)o1 ZINC000595735533 520684849 /nfs/dbraw/zinc/68/48/49/520684849.db2.gz UFRDWVPDZMMOQZ-UHFFFAOYSA-N 1 2 362.437 2.875 20 30 FFEDLO Cc1cccn2cc(CCNC(=O)NCc3ccc(C#N)cc3F)[nH+]c12 ZINC000610460068 520700025 /nfs/dbraw/zinc/70/00/25/520700025.db2.gz YBYWJOFZIDOLSG-UHFFFAOYSA-N 1 2 351.385 2.695 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CCc3ccc(O)cc3CC2)c(C#N)c1C ZINC000610542733 520732224 /nfs/dbraw/zinc/73/22/24/520732224.db2.gz IWMVKOYHPRMJJC-UHFFFAOYSA-N 1 2 355.463 2.982 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CCc3ccc(O)cc3CC2)c(C#N)c1C ZINC000610542733 520732228 /nfs/dbraw/zinc/73/22/28/520732228.db2.gz IWMVKOYHPRMJJC-UHFFFAOYSA-N 1 2 355.463 2.982 20 30 FFEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000595823534 520746397 /nfs/dbraw/zinc/74/63/97/520746397.db2.gz LXIDQPWWLUWTRM-CQSZACIVSA-N 1 2 365.275 2.508 20 30 FFEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000595823534 520746407 /nfs/dbraw/zinc/74/64/07/520746407.db2.gz LXIDQPWWLUWTRM-CQSZACIVSA-N 1 2 365.275 2.508 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000595829327 520753472 /nfs/dbraw/zinc/75/34/72/520753472.db2.gz PNMYTTLPXGTRLS-BXUZGUMPSA-N 1 2 358.269 2.625 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c1C#N ZINC000595849198 520765881 /nfs/dbraw/zinc/76/58/81/520765881.db2.gz DVIOYIRBALPOAQ-QGZVFWFLSA-N 1 2 365.481 2.789 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c1C#N ZINC000595849198 520765886 /nfs/dbraw/zinc/76/58/86/520765886.db2.gz DVIOYIRBALPOAQ-QGZVFWFLSA-N 1 2 365.481 2.789 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3ccnn3CCc3ccccc3)CC2)n1 ZINC000598673767 520780486 /nfs/dbraw/zinc/78/04/86/520780486.db2.gz KKHAKJPLCKQCDT-UHFFFAOYSA-N 1 2 372.476 2.715 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccnn3CCc3ccccc3)CC2)c1 ZINC000598679468 520784252 /nfs/dbraw/zinc/78/42/52/520784252.db2.gz UVSRMGJLNJRZLS-UHFFFAOYSA-N 1 2 372.476 2.715 20 30 FFEDLO N#Cc1cc2cccnc2nc1N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000596062062 520887220 /nfs/dbraw/zinc/88/72/20/520887220.db2.gz DWSIKGJVOGMUIY-LJQANCHMSA-N 1 2 359.433 2.987 20 30 FFEDLO Cc1nc(C2([NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)CCCCC2)no1 ZINC000610967379 520923435 /nfs/dbraw/zinc/92/34/35/520923435.db2.gz IIMHOWKWRIFMFY-QGZVFWFLSA-N 1 2 370.453 2.633 20 30 FFEDLO CCOC(=O)CCC1CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000610996543 520939047 /nfs/dbraw/zinc/93/90/47/520939047.db2.gz YBQQYYCOCAMUJB-UHFFFAOYSA-N 1 2 361.442 2.762 20 30 FFEDLO N#Cc1cnc2c(F)ccc(F)c2c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000611080168 520973673 /nfs/dbraw/zinc/97/36/73/520973673.db2.gz UKYTVYFHVHNGFA-ZDUSSCGKSA-N 1 2 351.360 2.892 20 30 FFEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCCc2ccc(Cl)cc2)c1=O ZINC000596284868 521009155 /nfs/dbraw/zinc/00/91/55/521009155.db2.gz GNZDLYWFPSOXJD-UHFFFAOYSA-N 1 2 371.868 2.838 20 30 FFEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000614546177 521021680 /nfs/dbraw/zinc/02/16/80/521021680.db2.gz SQHMYHDCNFRPJC-QGZVFWFLSA-N 1 2 354.454 2.538 20 30 FFEDLO COc1c(C)[nH+]c(C2CC2)nc1N1CCN(c2ccsc2C#N)CC1 ZINC000596351979 521038932 /nfs/dbraw/zinc/03/89/32/521038932.db2.gz DWZBULUWVKWLMH-UHFFFAOYSA-N 1 2 355.467 2.931 20 30 FFEDLO N#Cc1cc2c(nc1NC[C@H]1C[N@H+](Cc3ccncc3)CCO1)CCCC2 ZINC000599183438 521075138 /nfs/dbraw/zinc/07/51/38/521075138.db2.gz NKVICMWGFHZVQF-IBGZPJMESA-N 1 2 363.465 2.540 20 30 FFEDLO N#Cc1cc2c(nc1NC[C@H]1C[N@@H+](Cc3ccncc3)CCO1)CCCC2 ZINC000599183438 521075144 /nfs/dbraw/zinc/07/51/44/521075144.db2.gz NKVICMWGFHZVQF-IBGZPJMESA-N 1 2 363.465 2.540 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)CC1(C)C ZINC000593604321 521103655 /nfs/dbraw/zinc/10/36/55/521103655.db2.gz QNUBODFGAUCVPO-INIZCTEOSA-N 1 2 372.494 2.993 20 30 FFEDLO CN(C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@H]1CCC[C@H]1C#N ZINC000602074274 521126389 /nfs/dbraw/zinc/12/63/89/521126389.db2.gz HWUWSVQXPGXEAP-KSSFIOAISA-N 1 2 364.405 2.963 20 30 FFEDLO COCCN(C(C)=O)c1nc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cs1 ZINC000611387781 521133053 /nfs/dbraw/zinc/13/30/53/521133053.db2.gz SREGOZIVOCCUHQ-ZDUSSCGKSA-N 1 2 358.467 2.865 20 30 FFEDLO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000611431984 521152780 /nfs/dbraw/zinc/15/27/80/521152780.db2.gz FYLZERSJHHRGOZ-AZUAARDMSA-N 1 2 356.514 2.589 20 30 FFEDLO Cn1ncc2c1CC(C)(C)C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000596598326 521156997 /nfs/dbraw/zinc/15/69/97/521156997.db2.gz LEJBBFNOTLHSQY-UHFFFAOYSA-N 1 2 371.872 2.968 20 30 FFEDLO Cn1ncc2c1CC(C)(C)C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000596598326 521157003 /nfs/dbraw/zinc/15/70/03/521157003.db2.gz LEJBBFNOTLHSQY-UHFFFAOYSA-N 1 2 371.872 2.968 20 30 FFEDLO CC(C)(C)OC(=O)c1cccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000611440233 521157610 /nfs/dbraw/zinc/15/76/10/521157610.db2.gz QZPJHNBBDVNMHQ-SFHVURJKSA-N 1 2 365.433 2.830 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000602129153 521162160 /nfs/dbraw/zinc/16/21/60/521162160.db2.gz NMLZFSLQZSHUEZ-FQEVSTJZSA-N 1 2 361.445 2.947 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000602129153 521162164 /nfs/dbraw/zinc/16/21/64/521162164.db2.gz NMLZFSLQZSHUEZ-FQEVSTJZSA-N 1 2 361.445 2.947 20 30 FFEDLO CNc1ccc(C#N)cc1NC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000602140596 521167467 /nfs/dbraw/zinc/16/74/67/521167467.db2.gz FWDFKRWHTDLYPT-LJQANCHMSA-N 1 2 350.422 2.822 20 30 FFEDLO CNc1ccc(C#N)cc1NC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000602140596 521167472 /nfs/dbraw/zinc/16/74/72/521167472.db2.gz FWDFKRWHTDLYPT-LJQANCHMSA-N 1 2 350.422 2.822 20 30 FFEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000606842305 521177637 /nfs/dbraw/zinc/17/76/37/521177637.db2.gz FFEFOIUZSGWBOA-ZDUSSCGKSA-N 1 2 372.387 2.721 20 30 FFEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000606842305 521177646 /nfs/dbraw/zinc/17/76/46/521177646.db2.gz FFEFOIUZSGWBOA-ZDUSSCGKSA-N 1 2 372.387 2.721 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCc2ccc(C#N)c(F)c2)cc1 ZINC000602158608 521178877 /nfs/dbraw/zinc/17/88/77/521178877.db2.gz OOZGQKZZFOORAR-LJQANCHMSA-N 1 2 353.397 2.597 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCc2ccc(C#N)c(F)c2)cc1 ZINC000602158608 521178885 /nfs/dbraw/zinc/17/88/85/521178885.db2.gz OOZGQKZZFOORAR-LJQANCHMSA-N 1 2 353.397 2.597 20 30 FFEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000614924799 521195274 /nfs/dbraw/zinc/19/52/74/521195274.db2.gz MMBGEDXGBIPGOO-DOTOQJQBSA-N 1 2 367.371 2.707 20 30 FFEDLO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000614924799 521195279 /nfs/dbraw/zinc/19/52/79/521195279.db2.gz MMBGEDXGBIPGOO-DOTOQJQBSA-N 1 2 367.371 2.707 20 30 FFEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000614924611 521195454 /nfs/dbraw/zinc/19/54/54/521195454.db2.gz LCNBEVVCKKHPBZ-LRDDRELGSA-N 1 2 355.360 2.929 20 30 FFEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000614924611 521195459 /nfs/dbraw/zinc/19/54/59/521195459.db2.gz LCNBEVVCKKHPBZ-LRDDRELGSA-N 1 2 355.360 2.929 20 30 FFEDLO COc1ccc(Cl)c(-c2cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)on2)c1 ZINC000602335929 521287249 /nfs/dbraw/zinc/28/72/49/521287249.db2.gz VRJRTRCJMDGYAB-QGZVFWFLSA-N 1 2 362.817 2.577 20 30 FFEDLO N#Cc1ccc(NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)c(Cl)c1 ZINC000596802944 521294948 /nfs/dbraw/zinc/29/49/48/521294948.db2.gz YQYSLGLJWUWEKY-UHFFFAOYSA-N 1 2 362.861 2.788 20 30 FFEDLO COC(=O)[C@]1([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CCCC(C)(C)C1 ZINC000599559867 521299811 /nfs/dbraw/zinc/29/98/11/521299811.db2.gz XITLTBKMKRNFSO-UTKZUKDTSA-N 1 2 374.481 2.594 20 30 FFEDLO Cn1c2cc(C[NH+]3CCN([C@@H](C#N)c4ccccc4)CC3)ccc2oc1=O ZINC000602425728 521337608 /nfs/dbraw/zinc/33/76/08/521337608.db2.gz URZOTWHRVNCBJU-IBGZPJMESA-N 1 2 362.433 2.514 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H](O)C(F)(F)F ZINC000594018544 521351658 /nfs/dbraw/zinc/35/16/58/521351658.db2.gz ZBWPWZSECFZJBP-CYBMUJFWSA-N 1 2 368.302 2.531 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H](O)C(F)(F)F ZINC000594018544 521351661 /nfs/dbraw/zinc/35/16/61/521351661.db2.gz ZBWPWZSECFZJBP-CYBMUJFWSA-N 1 2 368.302 2.531 20 30 FFEDLO N#Cc1c(F)cc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1F ZINC000596910896 521373942 /nfs/dbraw/zinc/37/39/42/521373942.db2.gz KRDTXYCPYCSFKV-UHFFFAOYSA-N 1 2 357.360 2.921 20 30 FFEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)[C@@H](C)CO1 ZINC000596927698 521387465 /nfs/dbraw/zinc/38/74/65/521387465.db2.gz LADGYHUVDUQHLL-LSDHHAIUSA-N 1 2 374.485 2.966 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)[C@@H](C)CO1 ZINC000596927698 521387474 /nfs/dbraw/zinc/38/74/74/521387474.db2.gz LADGYHUVDUQHLL-LSDHHAIUSA-N 1 2 374.485 2.966 20 30 FFEDLO C[C@@H]1C[C@H](CO)CC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000599674556 521387781 /nfs/dbraw/zinc/38/77/81/521387781.db2.gz BQIPGZQYBSNUCI-ZIAGYGMSSA-N 1 2 361.511 2.920 20 30 FFEDLO C[C@@H]1C[C@H](CO)CC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000599674556 521387788 /nfs/dbraw/zinc/38/77/88/521387788.db2.gz BQIPGZQYBSNUCI-ZIAGYGMSSA-N 1 2 361.511 2.920 20 30 FFEDLO COc1cccc(S(=O)(=O)CC[N@@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599679583 521395522 /nfs/dbraw/zinc/39/55/22/521395522.db2.gz VEMLXVGWWCZWHS-UHFFFAOYSA-N 1 2 370.474 2.593 20 30 FFEDLO COc1cccc(S(=O)(=O)CC[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599679583 521395526 /nfs/dbraw/zinc/39/55/26/521395526.db2.gz VEMLXVGWWCZWHS-UHFFFAOYSA-N 1 2 370.474 2.593 20 30 FFEDLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)Cc2ccccc21 ZINC000599680798 521395550 /nfs/dbraw/zinc/39/55/50/521395550.db2.gz RSWRFMKHQRBQMC-IFXJQAMLSA-N 1 2 363.417 2.658 20 30 FFEDLO COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)Cc2ccccc21 ZINC000599680798 521395555 /nfs/dbraw/zinc/39/55/55/521395555.db2.gz RSWRFMKHQRBQMC-IFXJQAMLSA-N 1 2 363.417 2.658 20 30 FFEDLO CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000599701389 521413001 /nfs/dbraw/zinc/41/30/01/521413001.db2.gz JMDZDBUYAVCMIK-LJQANCHMSA-N 1 2 370.497 2.541 20 30 FFEDLO CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000599701389 521413005 /nfs/dbraw/zinc/41/30/05/521413005.db2.gz JMDZDBUYAVCMIK-LJQANCHMSA-N 1 2 370.497 2.541 20 30 FFEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000612067466 521465408 /nfs/dbraw/zinc/46/54/08/521465408.db2.gz FEZKDVPEYBVJHO-LJQANCHMSA-N 1 2 368.481 2.603 20 30 FFEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000597115265 521516715 /nfs/dbraw/zinc/51/67/15/521516715.db2.gz HPIITKHCLGGMGS-LJQANCHMSA-N 1 2 355.873 2.865 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000597120651 521521045 /nfs/dbraw/zinc/52/10/45/521521045.db2.gz IXMWVMYJVVUMFH-UHFFFAOYSA-N 1 2 371.387 2.803 20 30 FFEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000602819497 521551407 /nfs/dbraw/zinc/55/14/07/521551407.db2.gz DENQNYVQLSFACW-OALUTQOASA-N 1 2 372.900 2.676 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)c1cccc(CC#N)c1 ZINC000619473797 521585946 /nfs/dbraw/zinc/58/59/46/521585946.db2.gz OGXCKKXLMVEELL-UHFFFAOYSA-N 1 2 368.462 2.779 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000619511124 521603724 /nfs/dbraw/zinc/60/37/24/521603724.db2.gz LAYNZBJIYONUBH-SFHVURJKSA-N 1 2 358.877 2.586 20 30 FFEDLO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647584 521810752 /nfs/dbraw/zinc/81/07/52/521810752.db2.gz XQHLUFRMQYAZDW-PXNSSMCTSA-N 1 2 372.488 2.655 20 30 FFEDLO C=C[C@H](Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1)C(=O)OC ZINC000619687040 521824965 /nfs/dbraw/zinc/82/49/65/521824965.db2.gz KMXBVECLXAPEAZ-RISCZKNCSA-N 1 2 364.446 2.849 20 30 FFEDLO Cc1csc(C(C)(C)[NH2+]CC#CCN2C(=O)c3ccccc3C2=O)n1 ZINC000625254998 523294490 /nfs/dbraw/zinc/29/44/90/523294490.db2.gz VNHHOHDZYTVFSX-UHFFFAOYSA-N 1 2 353.447 2.576 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800625 523697050 /nfs/dbraw/zinc/69/70/50/523697050.db2.gz YWSWNHAXSMNBLP-NHCUHLMSSA-N 1 2 369.465 2.541 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800625 523697056 /nfs/dbraw/zinc/69/70/56/523697056.db2.gz YWSWNHAXSMNBLP-NHCUHLMSSA-N 1 2 369.465 2.541 20 30 FFEDLO N#CC1(NC(=O)CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)CCCCC1 ZINC000275548285 526433281 /nfs/dbraw/zinc/43/32/81/526433281.db2.gz DHFGOUMFYSLVBU-QGZVFWFLSA-N 1 2 355.486 2.768 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000602892547 673913213 /nfs/dbraw/zinc/91/32/13/673913213.db2.gz PPLPVWGBOGIJCA-LLVKDONJSA-N 1 2 362.231 2.666 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000602892547 673913215 /nfs/dbraw/zinc/91/32/15/673913215.db2.gz PPLPVWGBOGIJCA-LLVKDONJSA-N 1 2 362.231 2.666 20 30 FFEDLO C#CCSCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000152891657 728768133 /nfs/dbraw/zinc/76/81/33/728768133.db2.gz OARBREIETAGRTN-ZWKOTPCHSA-N 1 2 354.479 2.777 20 30 FFEDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000746464181 735485967 /nfs/dbraw/zinc/48/59/67/735485967.db2.gz RYBZEUFZLSJWJS-AWEZNQCLSA-N 1 2 354.859 2.723 20 30 FFEDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000746464181 735485969 /nfs/dbraw/zinc/48/59/69/735485969.db2.gz RYBZEUFZLSJWJS-AWEZNQCLSA-N 1 2 354.859 2.723 20 30 FFEDLO C[C@@H]1CN=C(N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)S1 ZINC000093662980 728477026 /nfs/dbraw/zinc/47/70/26/728477026.db2.gz ZUXSVANYLPVBMV-MRXNPFEDSA-N 1 2 358.511 2.978 20 30 FFEDLO C=C(Br)CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000126769110 728704701 /nfs/dbraw/zinc/70/47/01/728704701.db2.gz SWNIPSQRUWGFIZ-KBPBESRZSA-N 1 2 374.229 2.918 20 30 FFEDLO C=C(Br)CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000126769110 728704702 /nfs/dbraw/zinc/70/47/02/728704702.db2.gz SWNIPSQRUWGFIZ-KBPBESRZSA-N 1 2 374.229 2.918 20 30 FFEDLO C=CCNc1ncc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)s1 ZINC000134668633 728732010 /nfs/dbraw/zinc/73/20/10/728732010.db2.gz NTXYMXXKQWYQLJ-UHFFFAOYSA-N 1 2 359.455 2.533 20 30 FFEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000137648636 728740450 /nfs/dbraw/zinc/74/04/50/728740450.db2.gz JIRPFCVTNRITFK-UHFFFAOYSA-N 1 2 352.316 2.570 20 30 FFEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC2(C1)CCCOC2 ZINC000329658115 729798518 /nfs/dbraw/zinc/79/85/18/729798518.db2.gz NLPBWGMLRGJGQD-UHFFFAOYSA-N 1 2 350.488 2.787 20 30 FFEDLO O[C@@H]1C[C@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)Cc3cccnc3N2C1 ZINC000856544082 730345689 /nfs/dbraw/zinc/34/56/89/730345689.db2.gz KRBBMQNCRKNCTQ-RBUKOAKNSA-N 1 2 353.853 2.542 20 30 FFEDLO O[C@@H]1C[C@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)Cc3cccnc3N2C1 ZINC000856544082 730345691 /nfs/dbraw/zinc/34/56/91/730345691.db2.gz KRBBMQNCRKNCTQ-RBUKOAKNSA-N 1 2 353.853 2.542 20 30 FFEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000859556033 730458782 /nfs/dbraw/zinc/45/87/82/730458782.db2.gz CKAPSZYOCHHIOF-HUUCEWRRSA-N 1 2 359.388 2.813 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(n3cc(Br)cn3)CC2)nn1 ZINC000653555327 731273031 /nfs/dbraw/zinc/27/30/31/731273031.db2.gz VKBOUUVZAICFAP-UHFFFAOYSA-N 1 2 365.279 2.650 20 30 FFEDLO C=CCOCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000660968506 732158493 /nfs/dbraw/zinc/15/84/93/732158493.db2.gz PIBPKTDINFKDKS-SJORKVTESA-N 1 2 353.413 2.602 20 30 FFEDLO C=CCOCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000660968506 732158495 /nfs/dbraw/zinc/15/84/95/732158495.db2.gz PIBPKTDINFKDKS-SJORKVTESA-N 1 2 353.413 2.602 20 30 FFEDLO CCOc1ccc(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)nn1 ZINC000662252423 732288714 /nfs/dbraw/zinc/28/87/14/732288714.db2.gz NTHZCLSMQWZDGA-UHFFFAOYSA-N 1 2 356.857 2.702 20 30 FFEDLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cc(C#N)ccc1N(C)C ZINC000877502674 732374053 /nfs/dbraw/zinc/37/40/53/732374053.db2.gz PXNKQHUOWNDAIT-UHFFFAOYSA-N 1 2 356.495 2.824 20 30 FFEDLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cc(C#N)ccc1N(C)C ZINC000877502674 732374058 /nfs/dbraw/zinc/37/40/58/732374058.db2.gz PXNKQHUOWNDAIT-UHFFFAOYSA-N 1 2 356.495 2.824 20 30 FFEDLO CC[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1cccc(C#N)c1O ZINC000926497855 738621613 /nfs/dbraw/zinc/62/16/13/738621613.db2.gz BOPPGOBDTXSPSX-WMLDXEAASA-N 1 2 356.447 2.876 20 30 FFEDLO C=CCN(C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@@H](C)COC ZINC000664724536 732625851 /nfs/dbraw/zinc/62/58/51/732625851.db2.gz MRMOUOVHMCPANI-HNNXBMFYSA-N 1 2 365.905 2.931 20 30 FFEDLO C=CCN(C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@@H](C)COC ZINC000664724536 732625852 /nfs/dbraw/zinc/62/58/52/732625852.db2.gz MRMOUOVHMCPANI-HNNXBMFYSA-N 1 2 365.905 2.931 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(C(C)(C)O)CC1 ZINC000879627827 732736108 /nfs/dbraw/zinc/73/61/08/732736108.db2.gz TTXOIKFBQKQUIX-GFCCVEGCSA-N 1 2 361.511 2.918 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC2(CC1)COCCO2 ZINC000880540744 732921319 /nfs/dbraw/zinc/92/13/19/732921319.db2.gz AJAVRHXVIMTAOM-UHFFFAOYSA-N 1 2 362.495 2.785 20 30 FFEDLO COc1ccc(N[NH+]=Cc2c(C)nn(C)c2N2CCOCC2)cc1Cl ZINC000782232483 738700505 /nfs/dbraw/zinc/70/05/05/738700505.db2.gz RSWZNTNORXFBFS-UHFFFAOYSA-N 1 2 363.849 2.673 20 30 FFEDLO COc1ccc(OCCO[NH+]=C(N)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000782312665 738708645 /nfs/dbraw/zinc/70/86/45/738708645.db2.gz GRJNRJGTZIPOIR-UHFFFAOYSA-N 1 2 365.773 2.973 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C ZINC000884321863 733511841 /nfs/dbraw/zinc/51/18/41/733511841.db2.gz AKGUPBVYKLZLKD-OLZOCXBDSA-N 1 2 353.488 2.541 20 30 FFEDLO C=CCC1(O)CC[NH+]([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000887306133 733908325 /nfs/dbraw/zinc/90/83/25/733908325.db2.gz KFGUWVLJYOZZFQ-HNNXBMFYSA-N 1 2 366.820 2.514 20 30 FFEDLO CC(C)(C)c1nc(CO[NH+]=C(N)c2ccc(Br)cc2)no1 ZINC000782949297 738767160 /nfs/dbraw/zinc/76/71/60/738767160.db2.gz SWMPFGAITVVCRE-UHFFFAOYSA-N 1 2 353.220 2.967 20 30 FFEDLO COC(=O)c1cc(CO[NH+]=C(N)c2ccc(Br)cc2)c(C)o1 ZINC000782947593 738767218 /nfs/dbraw/zinc/76/72/18/738767218.db2.gz BQEAWWJGRBXZMQ-UHFFFAOYSA-N 1 2 367.199 2.974 20 30 FFEDLO C[C@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)[C@H](C)[NH+]1CCOCC1 ZINC000729649307 734589451 /nfs/dbraw/zinc/58/94/51/734589451.db2.gz XCKOKCOAVHSZTN-RYUDHWBXSA-N 1 2 352.891 2.607 20 30 FFEDLO Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+]NC(=S)N(C)C ZINC000731560599 734684871 /nfs/dbraw/zinc/68/48/71/734684871.db2.gz WHTHHKWDTUBXQV-UHFFFAOYSA-N 1 2 356.499 2.551 20 30 FFEDLO C[C@@]1(C#N)CCC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000784012200 738855508 /nfs/dbraw/zinc/85/55/08/738855508.db2.gz HDTVEHSIEBISLE-INIZCTEOSA-N 1 2 361.243 2.742 20 30 FFEDLO C[C@@]1(C#N)CCC[N@@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000784012200 738855511 /nfs/dbraw/zinc/85/55/11/738855511.db2.gz HDTVEHSIEBISLE-INIZCTEOSA-N 1 2 361.243 2.742 20 30 FFEDLO C=CCc1cc(C[NH2+]Cc2ncc(C(=O)OC)s2)cc(OC)c1OC ZINC000894243681 734823901 /nfs/dbraw/zinc/82/39/01/734823901.db2.gz QIARDUGOBSQMID-UHFFFAOYSA-N 1 2 362.451 2.965 20 30 FFEDLO CC(=NNC(=S)NCC1CCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735614186 734952999 /nfs/dbraw/zinc/95/29/99/734952999.db2.gz QQIKVJAUSKSLQX-SFHVURJKSA-N 1 2 360.527 2.528 20 30 FFEDLO CC(=NNC(=S)NCC1CCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735614186 734953001 /nfs/dbraw/zinc/95/30/01/734953001.db2.gz QQIKVJAUSKSLQX-SFHVURJKSA-N 1 2 360.527 2.528 20 30 FFEDLO C#CC[C@@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 ZINC000895489714 735014495 /nfs/dbraw/zinc/01/44/95/735014495.db2.gz HDEZCUFYEPENTM-AWEZNQCLSA-N 1 2 363.870 2.955 20 30 FFEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cn3cccnc3=S)CC2)c1 ZINC000738121337 735021786 /nfs/dbraw/zinc/02/17/86/735021786.db2.gz WOPDNDOPAGHFHS-UHFFFAOYSA-N 1 2 353.451 2.792 20 30 FFEDLO CC(C)CSCCCON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000752771215 736011090 /nfs/dbraw/zinc/01/10/90/736011090.db2.gz XFDQSFOQOXMDMC-UHFFFAOYSA-N 1 2 365.543 2.935 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2c(Cl)n(C)nc2C(F)(F)F)cc1 ZINC000753570079 736079022 /nfs/dbraw/zinc/07/90/22/736079022.db2.gz NYNWYBGOEZUCOF-UHFFFAOYSA-N 1 2 362.739 2.938 20 30 FFEDLO CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1cc(Br)c(F)cc1O ZINC000753933000 736107560 /nfs/dbraw/zinc/10/75/60/736107560.db2.gz ALFXUKYPEMDKHV-STQMWFEESA-N 1 2 369.238 2.878 20 30 FFEDLO O=C1Nc2c(cc(Cl)cc2Cl)C1=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753940223 736108794 /nfs/dbraw/zinc/10/87/94/736108794.db2.gz SHAVYHQDBJILAP-PHIMTYICSA-N 1 2 352.225 2.510 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(CSc2ccc(Cl)cc2)no1 ZINC000904081626 736218413 /nfs/dbraw/zinc/21/84/13/736218413.db2.gz PAKSHRGQJQEODZ-LBPRGKRZSA-N 1 2 353.831 2.614 20 30 FFEDLO C#CCN(CC#CC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000755101768 736233102 /nfs/dbraw/zinc/23/31/02/736233102.db2.gz XFXAJPKNOQKPGJ-QZTJIDSGSA-N 1 2 361.848 2.892 20 30 FFEDLO C#CCN(CC#CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000755101768 736233106 /nfs/dbraw/zinc/23/31/06/736233106.db2.gz XFXAJPKNOQKPGJ-QZTJIDSGSA-N 1 2 361.848 2.892 20 30 FFEDLO COc1ccc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)cc1C#N ZINC000758320816 736475874 /nfs/dbraw/zinc/47/58/74/736475874.db2.gz ZGXNJUYKQHWNCA-UHFFFAOYSA-N 1 2 364.854 2.914 20 30 FFEDLO C#CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)C1CC1 ZINC000763955304 736981761 /nfs/dbraw/zinc/98/17/61/736981761.db2.gz LZKOAPSYVPCYBM-UHFFFAOYSA-N 1 2 353.344 2.700 20 30 FFEDLO C#CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)C1CC1 ZINC000763955304 736981766 /nfs/dbraw/zinc/98/17/66/736981766.db2.gz LZKOAPSYVPCYBM-UHFFFAOYSA-N 1 2 353.344 2.700 20 30 FFEDLO NC(=[NH+]OCc1nncn1-c1ccccc1)c1ccc(Br)cc1 ZINC000766708527 737254422 /nfs/dbraw/zinc/25/44/22/737254422.db2.gz CUTWYHPLVMUTJC-UHFFFAOYSA-N 1 2 372.226 2.867 20 30 FFEDLO CC(C)(C)[N@H+](CCS(C)(=O)=O)Cc1cc(Cl)ccc1OCC#N ZINC000769942734 737585861 /nfs/dbraw/zinc/58/58/61/737585861.db2.gz VQMYMEROZHJIIR-UHFFFAOYSA-N 1 2 358.891 2.887 20 30 FFEDLO CC(C)(C)[N@@H+](CCS(C)(=O)=O)Cc1cc(Cl)ccc1OCC#N ZINC000769942734 737585866 /nfs/dbraw/zinc/58/58/66/737585866.db2.gz VQMYMEROZHJIIR-UHFFFAOYSA-N 1 2 358.891 2.887 20 30 FFEDLO O=S(=O)(c1ccc(NN=Cc2cccc3[nH+]ccn32)cc1)C(F)F ZINC000771101536 737696836 /nfs/dbraw/zinc/69/68/36/737696836.db2.gz UECYAIKAXVARNB-UHFFFAOYSA-N 1 2 350.350 2.777 20 30 FFEDLO CC(C)c1nnc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000778548692 738393109 /nfs/dbraw/zinc/39/31/09/738393109.db2.gz ZKKZOJUEDLLGSD-HNNXBMFYSA-N 1 2 355.467 2.818 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@@H]3CCC[C@H](C(F)(F)F)O3)CC2)nc1 ZINC000929328378 738970045 /nfs/dbraw/zinc/97/00/45/738970045.db2.gz VKKBDMOYHCRMKQ-LSDHHAIUSA-N 1 2 354.376 2.575 20 30 FFEDLO COc1cc(N[NH+]=Cc2c(C)nn(C)c2N2CCOCC2)ccc1Cl ZINC000788471403 739247959 /nfs/dbraw/zinc/24/79/59/739247959.db2.gz AJBHLJQUVOMVNA-UHFFFAOYSA-N 1 2 363.849 2.673 20 30 FFEDLO COCCN(C)c1ccc(C=[NH+]NC(=S)N[C@@H]2CCCC[C@@H]2C)cn1 ZINC000790147983 739422101 /nfs/dbraw/zinc/42/21/01/739422101.db2.gz OEXFDEUQOCJNGW-GOEBONIOSA-N 1 2 363.531 2.541 20 30 FFEDLO CCN(C)C(=O)C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944468 739541553 /nfs/dbraw/zinc/54/15/53/739541553.db2.gz VOXVZJVFVHMSHW-YUMQZZPRSA-N 1 2 368.268 2.568 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCSCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000935156321 739903809 /nfs/dbraw/zinc/90/38/09/739903809.db2.gz KMDVJTUQVNHRMW-CVEARBPZSA-N 1 2 365.449 2.863 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCSCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000935156321 739903813 /nfs/dbraw/zinc/90/38/13/739903813.db2.gz KMDVJTUQVNHRMW-CVEARBPZSA-N 1 2 365.449 2.863 20 30 FFEDLO CC1=C(Br)C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000797529576 740254480 /nfs/dbraw/zinc/25/44/80/740254480.db2.gz ZTOKQKPYMJFWJS-CQSZACIVSA-N 1 2 351.244 2.673 20 30 FFEDLO CC1=C(Br)C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000797529576 740254483 /nfs/dbraw/zinc/25/44/83/740254483.db2.gz ZTOKQKPYMJFWJS-CQSZACIVSA-N 1 2 351.244 2.673 20 30 FFEDLO CC(=[NH+][N-]c1cc[nH+]cc1)c1c[nH]c2ccc(Br)cc2c1=O ZINC000799884750 740460025 /nfs/dbraw/zinc/46/00/25/740460025.db2.gz SLYLYAYXKLYOCG-UHFFFAOYSA-N 1 2 357.211 2.944 20 30 FFEDLO C=CCn1c(SCC[NH+]2CCOCC2)nc2sc(C)c(C)c2c1=O ZINC000802512436 740707308 /nfs/dbraw/zinc/70/73/08/740707308.db2.gz ZYGJTLSVYSBFLQ-UHFFFAOYSA-N 1 2 365.524 2.685 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC000969685305 740736714 /nfs/dbraw/zinc/73/67/14/740736714.db2.gz SHTRBROKNAOLKD-XYPHTWIQSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC000970131718 740743883 /nfs/dbraw/zinc/74/38/83/740743883.db2.gz QMLVRNDHDGTPKD-LIVBEALHSA-N 1 2 360.885 2.916 20 30 FFEDLO N#Cc1cc(Cl)cc(Br)c1N1CC[NH+](CCCCO)CC1 ZINC000804502459 740879038 /nfs/dbraw/zinc/87/90/38/740879038.db2.gz SEVXONYBPAVGEU-UHFFFAOYSA-N 1 2 372.694 2.869 20 30 FFEDLO CC1=C(C(=O)C=Cc2cc(-n3cc[nH+]c3)cs2)[C@H](C)N2NN=NC2=N1 ZINC000806560928 741069607 /nfs/dbraw/zinc/06/96/07/741069607.db2.gz RSQXDWYGQMAMEZ-UFFNRZRYSA-N 1 2 353.411 2.736 20 30 FFEDLO C=CCN(C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)C(C)C ZINC000808060762 741181858 /nfs/dbraw/zinc/18/18/58/741181858.db2.gz RABMIYRMZADFJR-DLBZAZTESA-N 1 2 363.889 2.624 20 30 FFEDLO C=CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)C(C)C ZINC000808060762 741181861 /nfs/dbraw/zinc/18/18/61/741181861.db2.gz RABMIYRMZADFJR-DLBZAZTESA-N 1 2 363.889 2.624 20 30 FFEDLO C#C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000811898975 741571847 /nfs/dbraw/zinc/57/18/47/741571847.db2.gz XCYYIQBSNANFPO-IAGOWNOFSA-N 1 2 354.841 2.987 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC001005409420 742254023 /nfs/dbraw/zinc/25/40/23/742254023.db2.gz JAKYJXUQKGYIDI-MSOLQXFVSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(Cl)CSc1nc(C)c(CC(=O)NCCn2cc[nH+]c2)s1 ZINC000819103141 742337745 /nfs/dbraw/zinc/33/77/45/742337745.db2.gz VSAONKSPPCOMMN-UHFFFAOYSA-N 1 2 356.904 2.852 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001008561594 742381041 /nfs/dbraw/zinc/38/10/41/742381041.db2.gz ZOJGVUBGEBDDKG-JZXOWHBKSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001008561594 742381048 /nfs/dbraw/zinc/38/10/48/742381048.db2.gz ZOJGVUBGEBDDKG-JZXOWHBKSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccncc2Cl)C1 ZINC001008840236 742409655 /nfs/dbraw/zinc/40/96/55/742409655.db2.gz MZFSEUAWGPYQMI-RYRKJORJSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC001008840236 742409659 /nfs/dbraw/zinc/40/96/59/742409659.db2.gz MZFSEUAWGPYQMI-RYRKJORJSA-N 1 2 363.889 2.797 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[N@H+](CC#N)C2CCCC2)CC1 ZINC000822633822 742762266 /nfs/dbraw/zinc/76/22/66/742762266.db2.gz CDKLKAJMNZRQGE-KRWDZBQOSA-N 1 2 351.491 2.763 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[N@@H+](CC#N)C2CCCC2)CC1 ZINC000822633822 742762269 /nfs/dbraw/zinc/76/22/69/742762269.db2.gz CDKLKAJMNZRQGE-KRWDZBQOSA-N 1 2 351.491 2.763 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001027890422 742778118 /nfs/dbraw/zinc/77/81/18/742778118.db2.gz ZFOPSLSFUOTYBU-ZACQAIPSSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001027890422 742778123 /nfs/dbraw/zinc/77/81/23/742778123.db2.gz ZFOPSLSFUOTYBU-ZACQAIPSSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001028022005 742782857 /nfs/dbraw/zinc/78/28/57/742782857.db2.gz DVQGVNWLCLSDGO-HRCADAONSA-N 1 2 371.319 2.538 20 30 FFEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001028022005 742782860 /nfs/dbraw/zinc/78/28/60/742782860.db2.gz DVQGVNWLCLSDGO-HRCADAONSA-N 1 2 371.319 2.538 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)O1 ZINC001033439146 742889874 /nfs/dbraw/zinc/88/98/74/742889874.db2.gz YXPYSBIQDNNCMB-SZVBFZGTSA-N 1 2 360.885 2.792 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)O1 ZINC001033439146 742889883 /nfs/dbraw/zinc/88/98/83/742889883.db2.gz YXPYSBIQDNNCMB-SZVBFZGTSA-N 1 2 360.885 2.792 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCc1c(F)cccc1Cl ZINC001038713917 742978146 /nfs/dbraw/zinc/97/81/46/742978146.db2.gz GSUHYIDDQURUIJ-JOQOYGCGSA-N 1 2 366.864 2.803 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCc1c(F)cccc1Cl ZINC001038713917 742978152 /nfs/dbraw/zinc/97/81/52/742978152.db2.gz GSUHYIDDQURUIJ-JOQOYGCGSA-N 1 2 366.864 2.803 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C(F)F)c1 ZINC001038714922 742979025 /nfs/dbraw/zinc/97/90/25/742979025.db2.gz XNIQGMBTGLANKO-ZACQAIPSSA-N 1 2 350.409 2.906 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C(F)F)c1 ZINC001038714922 742979033 /nfs/dbraw/zinc/97/90/33/742979033.db2.gz XNIQGMBTGLANKO-ZACQAIPSSA-N 1 2 350.409 2.906 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001046960181 743344036 /nfs/dbraw/zinc/34/40/36/743344036.db2.gz GZKRAOAMDRBGBD-MCIONIFRSA-N 1 2 350.837 2.627 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001046960181 743344043 /nfs/dbraw/zinc/34/40/43/743344043.db2.gz GZKRAOAMDRBGBD-MCIONIFRSA-N 1 2 350.837 2.627 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](CNc2cc[nH+]c(C)n2)[C@H](OCC)C1 ZINC001047888600 743382543 /nfs/dbraw/zinc/38/25/43/743382543.db2.gz DXAFSFGNKMXRLW-HUUCEWRRSA-N 1 2 366.893 2.839 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001050144332 743500418 /nfs/dbraw/zinc/50/04/18/743500418.db2.gz OKRCFLVUOPHKOQ-WDWDGABDSA-N 1 2 359.297 2.819 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001050144332 743500424 /nfs/dbraw/zinc/50/04/24/743500424.db2.gz OKRCFLVUOPHKOQ-WDWDGABDSA-N 1 2 359.297 2.819 20 30 FFEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F)CCO2 ZINC001053308923 744972630 /nfs/dbraw/zinc/97/26/30/744972630.db2.gz UCQZIKFTZCAHGE-HUUCEWRRSA-N 1 2 358.404 2.620 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001067497331 745329527 /nfs/dbraw/zinc/32/95/27/745329527.db2.gz FUAYEHOHPCVLPJ-ZIAGYGMSSA-N 1 2 366.893 2.599 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001067497331 745329542 /nfs/dbraw/zinc/32/95/42/745329542.db2.gz FUAYEHOHPCVLPJ-ZIAGYGMSSA-N 1 2 366.893 2.599 20 30 FFEDLO C=CCCOC(=O)[C@H](C)OC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000835833711 746089041 /nfs/dbraw/zinc/08/90/41/746089041.db2.gz RMVFRUQLMSLAGG-ZDUSSCGKSA-N 1 2 366.483 2.715 20 30 FFEDLO C=CCONC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000838711585 746698861 /nfs/dbraw/zinc/69/88/61/746698861.db2.gz UBVRZRNUAQQSGA-UHFFFAOYSA-N 1 2 369.219 2.568 20 30 FFEDLO CN1c2ccccc2C(C)(C)C1=CC(=O)CSC[C@H]1C[N@H+](C)CCO1 ZINC000842652086 747649545 /nfs/dbraw/zinc/64/95/45/747649545.db2.gz JAAXMQOLOXJAMT-YDDPGSGASA-N 1 2 360.523 2.931 20 30 FFEDLO CN1c2ccccc2C(C)(C)C1=CC(=O)CSC[C@H]1C[N@@H+](C)CCO1 ZINC000842652086 747649553 /nfs/dbraw/zinc/64/95/53/747649553.db2.gz JAAXMQOLOXJAMT-YDDPGSGASA-N 1 2 360.523 2.931 20 30 FFEDLO N#Cc1sccc1N1CC[NH+](CCOC(=O)Cc2ccccc2)CC1 ZINC000852343060 749839964 /nfs/dbraw/zinc/83/99/64/749839964.db2.gz ZNVAXCVAHZDKIC-UHFFFAOYSA-N 1 2 355.463 2.528 20 30 FFEDLO C#CC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)o1)[C@H]1CCc2ccccc21 ZINC000052846217 845262116 /nfs/dbraw/zinc/26/21/16/845262116.db2.gz OVORHJHJQDWBJK-SFHVURJKSA-N 1 2 358.463 2.653 20 30 FFEDLO C#CC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)o1)[C@H]1CCc2ccccc21 ZINC000052846217 845262133 /nfs/dbraw/zinc/26/21/33/845262133.db2.gz OVORHJHJQDWBJK-SFHVURJKSA-N 1 2 358.463 2.653 20 30 FFEDLO CC(C)C[C@@H](CNc1ncc(C#N)cc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001105000994 971329944 /nfs/dbraw/zinc/32/99/44/971329944.db2.gz ALNALFDOUPXBIH-RRFJBIMHSA-N 1 2 370.432 2.562 20 30 FFEDLO CC(C)C[C@@H](CNc1ncc(C#N)cc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001105000994 971329953 /nfs/dbraw/zinc/32/99/53/971329953.db2.gz ALNALFDOUPXBIH-RRFJBIMHSA-N 1 2 370.432 2.562 20 30 FFEDLO C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CC1 ZINC001602709916 971347832 /nfs/dbraw/zinc/34/78/32/971347832.db2.gz LGMVMXLWUCAKLC-MRXNPFEDSA-N 1 2 361.486 2.711 20 30 FFEDLO O=C(C(F)C(F)(F)F)N1C[C@@H]2C[N@@H+](CCC(F)(F)F)CC[C@@H]2C1 ZINC001087972944 971414352 /nfs/dbraw/zinc/41/43/52/971414352.db2.gz CUGYOGBBSXYIIV-UTLUCORTSA-N 1 2 350.278 2.620 20 30 FFEDLO O=C(C(F)C(F)(F)F)N1C[C@@H]2C[N@H+](CCC(F)(F)F)CC[C@@H]2C1 ZINC001087972944 971414355 /nfs/dbraw/zinc/41/43/55/971414355.db2.gz CUGYOGBBSXYIIV-UTLUCORTSA-N 1 2 350.278 2.620 20 30 FFEDLO O=C([C@H](F)C(F)(F)F)N1C[C@@H]2C[N@@H+](CCC(F)(F)F)CC[C@@H]2C1 ZINC001087972944 971414358 /nfs/dbraw/zinc/41/43/58/971414358.db2.gz CUGYOGBBSXYIIV-UTLUCORTSA-N 1 2 350.278 2.620 20 30 FFEDLO O=C([C@H](F)C(F)(F)F)N1C[C@@H]2C[N@H+](CCC(F)(F)F)CC[C@@H]2C1 ZINC001087972944 971414361 /nfs/dbraw/zinc/41/43/61/971414361.db2.gz CUGYOGBBSXYIIV-UTLUCORTSA-N 1 2 350.278 2.620 20 30 FFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000660242629 971538045 /nfs/dbraw/zinc/53/80/45/971538045.db2.gz RANBHQKMUIFHTN-BGYRXZFFSA-N 1 2 355.482 2.911 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)N[C@@H](c2ccccc2)C(C)C)cc1 ZINC000054230447 971561380 /nfs/dbraw/zinc/56/13/80/971561380.db2.gz QSJMYVKVIMIYKG-LJQANCHMSA-N 1 2 355.438 2.846 20 30 FFEDLO C=C(C)C[C@@H](NC(C)=O)c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896820678 971760565 /nfs/dbraw/zinc/76/05/65/971760565.db2.gz KHHIKEIKJJXROO-QGZVFWFLSA-N 1 2 351.410 2.990 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(F)cc2F)C1 ZINC000969684850 959759694 /nfs/dbraw/zinc/75/96/94/959759694.db2.gz PNEVRUQYMHOHQG-XVSDVWIESA-N 1 2 364.436 2.883 20 30 FFEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001083198352 960477964 /nfs/dbraw/zinc/47/79/64/960477964.db2.gz PCJDOTBANURLRZ-DQEVTTJGSA-N 1 2 373.522 2.714 20 30 FFEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001083198352 960477974 /nfs/dbraw/zinc/47/79/74/960477974.db2.gz PCJDOTBANURLRZ-DQEVTTJGSA-N 1 2 373.522 2.714 20 30 FFEDLO N#Cc1cc2c(ccn2-c2ccc(OCC[NH+]3CCOCC3)cc2)c(N)c1 ZINC001174434296 1013208080 /nfs/dbraw/zinc/20/80/80/1013208080.db2.gz HFVCKDFJNIHVHE-UHFFFAOYSA-N 1 2 362.433 2.795 20 30 FFEDLO N#Cc1ccc(C[N@H+](CCNC(=O)[C@]23CCC[C@H]2OCC3)C2CC2)c(F)c1 ZINC001266602878 962614946 /nfs/dbraw/zinc/61/49/46/962614946.db2.gz YJJQTBRNLDMIAV-CTNGQTDRSA-N 1 2 371.456 2.737 20 30 FFEDLO N#Cc1ccc(C[N@@H+](CCNC(=O)[C@]23CCC[C@H]2OCC3)C2CC2)c(F)c1 ZINC001266602878 962614963 /nfs/dbraw/zinc/61/49/63/962614963.db2.gz YJJQTBRNLDMIAV-CTNGQTDRSA-N 1 2 371.456 2.737 20 30 FFEDLO C[N@@H+]1CCCn2nc(C(=O)Nc3ccccc3-c3ccc(C#N)cn3)cc2C1 ZINC001175095476 1013391344 /nfs/dbraw/zinc/39/13/44/1013391344.db2.gz XLHITMBDMDSJFK-UHFFFAOYSA-N 1 2 372.432 2.905 20 30 FFEDLO C[N@H+]1CCCn2nc(C(=O)Nc3ccccc3-c3ccc(C#N)cn3)cc2C1 ZINC001175095476 1013391353 /nfs/dbraw/zinc/39/13/53/1013391353.db2.gz XLHITMBDMDSJFK-UHFFFAOYSA-N 1 2 372.432 2.905 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(C)c(F)c1F)C2 ZINC001276067119 1013398923 /nfs/dbraw/zinc/39/89/23/1013398923.db2.gz KNLYAQCQGYBHQI-FQEVSTJZSA-N 1 2 364.436 2.900 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(C)c(F)c1F)C2 ZINC001276067119 1013398939 /nfs/dbraw/zinc/39/89/39/1013398939.db2.gz KNLYAQCQGYBHQI-FQEVSTJZSA-N 1 2 364.436 2.900 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cccc3c2OC(F)(F)O3)C1=O ZINC001276081643 1013418407 /nfs/dbraw/zinc/41/84/07/1013418407.db2.gz QUAXJWGDIALNRS-QGZVFWFLSA-N 1 2 350.365 2.761 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cccc3c2OC(F)(F)O3)C1=O ZINC001276081643 1013418414 /nfs/dbraw/zinc/41/84/14/1013418414.db2.gz QUAXJWGDIALNRS-QGZVFWFLSA-N 1 2 350.365 2.761 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C[C@@H](O)c1ccc(C)cc1 ZINC000156803111 963451795 /nfs/dbraw/zinc/45/17/95/963451795.db2.gz RDKLPULJCZZBPY-HXUWFJFHSA-N 1 2 372.490 2.696 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C[C@@H](O)c1ccc(C)cc1 ZINC000156803111 963451801 /nfs/dbraw/zinc/45/18/01/963451801.db2.gz RDKLPULJCZZBPY-HXUWFJFHSA-N 1 2 372.490 2.696 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)c(C)nn1 ZINC001095467587 1013485148 /nfs/dbraw/zinc/48/51/48/1013485148.db2.gz PBTDPLMHCSFDNG-BVGQSLNGSA-N 1 2 367.478 2.562 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)c(C)nn1 ZINC001095467587 1013485154 /nfs/dbraw/zinc/48/51/54/1013485154.db2.gz PBTDPLMHCSFDNG-BVGQSLNGSA-N 1 2 367.478 2.562 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cnoc2CC)C1 ZINC001087468163 965199118 /nfs/dbraw/zinc/19/91/18/965199118.db2.gz JPOQCDWBKXCRCQ-IEBWSBKVSA-N 1 2 369.440 2.987 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cnoc2CC)C1 ZINC001087468163 965199121 /nfs/dbraw/zinc/19/91/21/965199121.db2.gz JPOQCDWBKXCRCQ-IEBWSBKVSA-N 1 2 369.440 2.987 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ncccc2F)C1 ZINC001087468641 965257724 /nfs/dbraw/zinc/25/77/24/965257724.db2.gz JWFFORSZPBARCW-SJLPKXTDSA-N 1 2 355.388 2.581 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ncccc2F)C1 ZINC001087468641 965257731 /nfs/dbraw/zinc/25/77/31/965257731.db2.gz JWFFORSZPBARCW-SJLPKXTDSA-N 1 2 355.388 2.581 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2cncs2)C1 ZINC001087470590 965352679 /nfs/dbraw/zinc/35/26/79/965352679.db2.gz LUSQUGIWLXGBSA-ROUUACIJSA-N 1 2 369.490 2.763 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2cncs2)C1 ZINC001087470590 965352687 /nfs/dbraw/zinc/35/26/87/965352687.db2.gz LUSQUGIWLXGBSA-ROUUACIJSA-N 1 2 369.490 2.763 20 30 FFEDLO C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2ncccc2O)C1 ZINC001087474241 965521234 /nfs/dbraw/zinc/52/12/34/965521234.db2.gz SLJUBTUSDPWJIZ-ROUUACIJSA-N 1 2 367.449 2.570 20 30 FFEDLO C=CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2ncccc2O)C1 ZINC001087474241 965521242 /nfs/dbraw/zinc/52/12/42/965521242.db2.gz SLJUBTUSDPWJIZ-ROUUACIJSA-N 1 2 367.449 2.570 20 30 FFEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)on3)C[C@H]21 ZINC001075770799 966039057 /nfs/dbraw/zinc/03/90/57/966039057.db2.gz MIUDXIHKQCIJTC-AZUAARDMSA-N 1 2 361.445 2.788 20 30 FFEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)on3)C[C@H]21 ZINC001075770799 966039075 /nfs/dbraw/zinc/03/90/75/966039075.db2.gz MIUDXIHKQCIJTC-AZUAARDMSA-N 1 2 361.445 2.788 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)n2cccn2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087508317 967474185 /nfs/dbraw/zinc/47/41/85/967474185.db2.gz KOICIKGOQVMAPE-MDASCCDHSA-N 1 2 369.444 2.624 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)n2cccn2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087508317 967474187 /nfs/dbraw/zinc/47/41/87/967474187.db2.gz KOICIKGOQVMAPE-MDASCCDHSA-N 1 2 369.444 2.624 20 30 FFEDLO C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000156412789 967494958 /nfs/dbraw/zinc/49/49/58/967494958.db2.gz FVDCQDXZQPGFHG-UHFFFAOYSA-N 1 2 370.428 2.748 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3CC)C2)C1 ZINC000972517185 967538646 /nfs/dbraw/zinc/53/86/46/967538646.db2.gz CSFQWIJSEGZRSC-QZNHQXDQSA-N 1 2 366.505 2.679 20 30 FFEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3CC)C2)C1 ZINC000972517185 967538659 /nfs/dbraw/zinc/53/86/59/967538659.db2.gz CSFQWIJSEGZRSC-QZNHQXDQSA-N 1 2 366.505 2.679 20 30 FFEDLO Cc1cc(C)c(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H](C)C#N)c(C)[nH+]1 ZINC000984036501 967733507 /nfs/dbraw/zinc/73/35/07/967733507.db2.gz HQADWABLZYRNFS-IFIJOSMWSA-N 1 2 356.470 2.523 20 30 FFEDLO CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329755294 968008198 /nfs/dbraw/zinc/00/81/98/968008198.db2.gz LLVBMLZEJFFRLY-ZBFHGGJFSA-N 1 2 361.490 2.540 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001029402691 968182707 /nfs/dbraw/zinc/18/27/07/968182707.db2.gz VRHBTFXGUJAPNP-RMJJICAUSA-N 1 2 371.456 2.688 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001029402691 968182715 /nfs/dbraw/zinc/18/27/15/968182715.db2.gz VRHBTFXGUJAPNP-RMJJICAUSA-N 1 2 371.456 2.688 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2cn(C(C)C)nn2)[C@@H]1CC ZINC001087602795 968328380 /nfs/dbraw/zinc/32/83/80/968328380.db2.gz GBIJQPKCLIABAR-ZWKOTPCHSA-N 1 2 370.501 2.629 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2cn(C(C)C)nn2)[C@@H]1CC ZINC001087602795 968328386 /nfs/dbraw/zinc/32/83/86/968328386.db2.gz GBIJQPKCLIABAR-ZWKOTPCHSA-N 1 2 370.501 2.629 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccsn2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087617564 968378406 /nfs/dbraw/zinc/37/84/06/968378406.db2.gz BLSOACNUSBLADN-DOTOQJQBSA-N 1 2 358.442 2.937 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccsn2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087617564 968378411 /nfs/dbraw/zinc/37/84/11/968378411.db2.gz BLSOACNUSBLADN-DOTOQJQBSA-N 1 2 358.442 2.937 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](Cc2ncccn2)[C@@H]1CC ZINC001087628296 968413727 /nfs/dbraw/zinc/41/37/27/968413727.db2.gz MJTFLSLKJVXWPI-ZWKOTPCHSA-N 1 2 366.465 2.824 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](Cc2ncccn2)[C@@H]1CC ZINC001087628296 968413736 /nfs/dbraw/zinc/41/37/36/968413736.db2.gz MJTFLSLKJVXWPI-ZWKOTPCHSA-N 1 2 366.465 2.824 20 30 FFEDLO COC(=O)c1cc(C#N)cc(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC001176967411 1013816754 /nfs/dbraw/zinc/81/67/54/1013816754.db2.gz MDROKRGCWYYYCT-OAHLLOKOSA-N 1 2 364.405 2.595 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001087729459 968778196 /nfs/dbraw/zinc/77/81/96/968778196.db2.gz DLMMMBNORGOHMP-WCIQWLHISA-N 1 2 371.456 2.758 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001087729459 968778206 /nfs/dbraw/zinc/77/82/06/968778206.db2.gz DLMMMBNORGOHMP-WCIQWLHISA-N 1 2 371.456 2.758 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2coc(C3CC3)n2)[C@@H]1CC ZINC001087732243 968791889 /nfs/dbraw/zinc/79/18/89/968791889.db2.gz KKWHQCKJKDTDTJ-XDNAFOTISA-N 1 2 359.470 2.612 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2coc(C3CC3)n2)[C@@H]1CC ZINC001087732243 968791894 /nfs/dbraw/zinc/79/18/94/968791894.db2.gz KKWHQCKJKDTDTJ-XDNAFOTISA-N 1 2 359.470 2.612 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCCOC2)[C@H]1CC ZINC001087776898 969004202 /nfs/dbraw/zinc/00/42/02/969004202.db2.gz DBIZZEUGCQXQCO-SQWLQELKSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCCOC2)[C@H]1CC ZINC001087776898 969004212 /nfs/dbraw/zinc/00/42/12/969004212.db2.gz DBIZZEUGCQXQCO-SQWLQELKSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4nc(CC)no4)CC[C@@H]3C2)CC1 ZINC001088093285 972730106 /nfs/dbraw/zinc/73/01/06/972730106.db2.gz QZUVWNQUTKCQFS-SJORKVTESA-N 1 2 358.486 2.659 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4nc(CC)no4)CC[C@@H]3C2)CC1 ZINC001088093285 972730116 /nfs/dbraw/zinc/73/01/16/972730116.db2.gz QZUVWNQUTKCQFS-SJORKVTESA-N 1 2 358.486 2.659 20 30 FFEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](C/C(Cl)=C/Cl)CC[C@@H]3C2)c1 ZINC001088099465 972779422 /nfs/dbraw/zinc/77/94/22/972779422.db2.gz MNKSHBHOAIHXOM-MKQCWBSESA-N 1 2 364.276 2.776 20 30 FFEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](C/C(Cl)=C/Cl)CC[C@@H]3C2)c1 ZINC001088099465 972779437 /nfs/dbraw/zinc/77/94/37/972779437.db2.gz MNKSHBHOAIHXOM-MKQCWBSESA-N 1 2 364.276 2.776 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001028021396 976184426 /nfs/dbraw/zinc/18/44/26/976184426.db2.gz QBASWEKLLKGVPL-ZVDOUQERSA-N 1 2 371.456 2.737 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001028021396 976184437 /nfs/dbraw/zinc/18/44/37/976184437.db2.gz QBASWEKLLKGVPL-ZVDOUQERSA-N 1 2 371.456 2.737 20 30 FFEDLO CC(C)(C)OC(=O)NCC1(O)CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000842170186 976699744 /nfs/dbraw/zinc/69/97/44/976699744.db2.gz YVOVVEFTAVYJKV-UHFFFAOYSA-N 1 2 363.433 2.549 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2C[C@H]2CCC)c1 ZINC001028125232 976802601 /nfs/dbraw/zinc/80/26/01/976802601.db2.gz MHJMSFGCGSHJOQ-YZGWKJHDSA-N 1 2 367.493 2.623 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2C[C@H]2CCC)c1 ZINC001028125232 976802613 /nfs/dbraw/zinc/80/26/13/976802613.db2.gz MHJMSFGCGSHJOQ-YZGWKJHDSA-N 1 2 367.493 2.623 20 30 FFEDLO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001028149261 976917548 /nfs/dbraw/zinc/91/75/48/976917548.db2.gz BQVXZNOOYBHQNE-XFKSJGNHSA-N 1 2 372.896 2.840 20 30 FFEDLO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001028149261 976917555 /nfs/dbraw/zinc/91/75/55/976917555.db2.gz BQVXZNOOYBHQNE-XFKSJGNHSA-N 1 2 372.896 2.840 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC([C@H]3CCCCCN3C(C)=O)CC2)nn1 ZINC000653555070 1014375528 /nfs/dbraw/zinc/37/55/28/1014375528.db2.gz IHOLCSVHENUSHQ-HXUWFJFHSA-N 1 2 359.518 2.857 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](Nc3cc(OC)cc(OC)c3)C2)nn1 ZINC000653585572 1014384107 /nfs/dbraw/zinc/38/41/07/1014384107.db2.gz YQVQRFFQJAKDAH-INIZCTEOSA-N 1 2 371.485 2.948 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](Nc3cc(OC)cc(OC)c3)C2)nn1 ZINC000653585572 1014384115 /nfs/dbraw/zinc/38/41/15/1014384115.db2.gz YQVQRFFQJAKDAH-INIZCTEOSA-N 1 2 371.485 2.948 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3csc(C4CCCC4)n3)C[C@H]21 ZINC001075616216 977318682 /nfs/dbraw/zinc/31/86/82/977318682.db2.gz MNOKRILKGNQUIK-JLJPHGGASA-N 1 2 358.511 2.993 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3csc(C4CCCC4)n3)C[C@H]21 ZINC001075616216 977318693 /nfs/dbraw/zinc/31/86/93/977318693.db2.gz MNOKRILKGNQUIK-JLJPHGGASA-N 1 2 358.511 2.993 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2cc(C3CC3)no2)CC1 ZINC000982174131 977323411 /nfs/dbraw/zinc/32/34/11/977323411.db2.gz WVOLFYGJKCRIKE-HKUYNNGSSA-N 1 2 359.470 2.568 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2cc(C3CC3)no2)CC1 ZINC000982174131 977323421 /nfs/dbraw/zinc/32/34/21/977323421.db2.gz WVOLFYGJKCRIKE-HKUYNNGSSA-N 1 2 359.470 2.568 20 30 FFEDLO Cc1nc(C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4Cl)C[C@H]32)c[nH]1 ZINC001075622414 977424347 /nfs/dbraw/zinc/42/43/47/977424347.db2.gz UYHZJIAEGOJXOT-QFBILLFUSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1nc(C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4Cl)C[C@H]32)c[nH]1 ZINC001075622414 977424351 /nfs/dbraw/zinc/42/43/51/977424351.db2.gz UYHZJIAEGOJXOT-QFBILLFUSA-N 1 2 368.868 2.570 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2nccs2)C1 ZINC001087458974 977956676 /nfs/dbraw/zinc/95/66/76/977956676.db2.gz FCMFQDZSAFABBZ-IAGOWNOFSA-N 1 2 357.454 2.893 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2nccs2)C1 ZINC001087458974 977956682 /nfs/dbraw/zinc/95/66/82/977956682.db2.gz FCMFQDZSAFABBZ-IAGOWNOFSA-N 1 2 357.454 2.893 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ncoc2CC)C1 ZINC001087463615 978227917 /nfs/dbraw/zinc/22/79/17/978227917.db2.gz SHGLSSUBRGCDSU-IAGOWNOFSA-N 1 2 355.413 2.597 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ncoc2CC)C1 ZINC001087463615 978227922 /nfs/dbraw/zinc/22/79/22/978227922.db2.gz SHGLSSUBRGCDSU-IAGOWNOFSA-N 1 2 355.413 2.597 20 30 FFEDLO COc1ccc(C[NH2+]Cc2c(C(=O)OC(C)(C)C)cnn2C)cc1C#N ZINC000877117033 1014478461 /nfs/dbraw/zinc/47/84/61/1014478461.db2.gz ZRNUQVBIVFWKCA-UHFFFAOYSA-N 1 2 356.426 2.545 20 30 FFEDLO CCc1nocc1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001076216154 979238714 /nfs/dbraw/zinc/23/87/14/979238714.db2.gz LMWNVJSXDDCBPH-IFXJQAMLSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1nocc1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001076216154 979238723 /nfs/dbraw/zinc/23/87/23/979238723.db2.gz LMWNVJSXDDCBPH-IFXJQAMLSA-N 1 2 368.412 2.594 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001076263589 979290362 /nfs/dbraw/zinc/29/03/62/979290362.db2.gz JOKISXMLGKHNRZ-HZMVEIRTSA-N 1 2 373.497 2.596 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001076263589 979290367 /nfs/dbraw/zinc/29/03/67/979290367.db2.gz JOKISXMLGKHNRZ-HZMVEIRTSA-N 1 2 373.497 2.596 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc(OC4CCC4)c3)[C@@H]2C1 ZINC001076412091 979468285 /nfs/dbraw/zinc/46/82/85/979468285.db2.gz NPMKEDMAHAITNJ-DOTOQJQBSA-N 1 2 361.873 2.912 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccnc(OC4CCC4)c3)[C@@H]2C1 ZINC001076412091 979468292 /nfs/dbraw/zinc/46/82/92/979468292.db2.gz NPMKEDMAHAITNJ-DOTOQJQBSA-N 1 2 361.873 2.912 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(N(C)C(C)=O)cc3)[C@@H]2C1 ZINC001076621954 979717516 /nfs/dbraw/zinc/71/75/16/979717516.db2.gz OFSHSPDOLLPKLT-FUHWJXTLSA-N 1 2 361.873 2.568 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(N(C)C(C)=O)cc3)[C@@H]2C1 ZINC001076621954 979717519 /nfs/dbraw/zinc/71/75/19/979717519.db2.gz OFSHSPDOLLPKLT-FUHWJXTLSA-N 1 2 361.873 2.568 20 30 FFEDLO CCCc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)s1 ZINC001077071150 979986495 /nfs/dbraw/zinc/98/64/95/979986495.db2.gz KHOREGVMDROOGN-QZTJIDSGSA-N 1 2 369.490 2.547 20 30 FFEDLO CCCc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)s1 ZINC001077071150 979986501 /nfs/dbraw/zinc/98/65/01/979986501.db2.gz KHOREGVMDROOGN-QZTJIDSGSA-N 1 2 369.490 2.547 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088511196 980363224 /nfs/dbraw/zinc/36/32/24/980363224.db2.gz COOXJKKQWCIMAL-KDOFPFPSSA-N 1 2 366.852 2.784 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088511196 980363233 /nfs/dbraw/zinc/36/32/33/980363233.db2.gz COOXJKKQWCIMAL-KDOFPFPSSA-N 1 2 366.852 2.784 20 30 FFEDLO Cc1cccnc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088513844 980389065 /nfs/dbraw/zinc/38/90/65/980389065.db2.gz MNEXJQRVMXURJM-KDOFPFPSSA-N 1 2 352.413 2.794 20 30 FFEDLO Cc1cccnc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088513844 980389070 /nfs/dbraw/zinc/38/90/70/980389070.db2.gz MNEXJQRVMXURJM-KDOFPFPSSA-N 1 2 352.413 2.794 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)co1 ZINC001088533149 980462353 /nfs/dbraw/zinc/46/23/53/980462353.db2.gz BXMLBIGKJINSCA-WBMJQRKESA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)co1 ZINC001088533149 980462360 /nfs/dbraw/zinc/46/23/60/980462360.db2.gz BXMLBIGKJINSCA-WBMJQRKESA-N 1 2 356.401 2.641 20 30 FFEDLO CO[C@@H]1C[C@H]2C[N@H+](Cc3cc(C#N)cnc3Cl)Cc3cccnc3N2C1 ZINC000877691877 1014686100 /nfs/dbraw/zinc/68/61/00/1014686100.db2.gz QMSYUTJJDLJXOJ-DLBZAZTESA-N 1 2 369.856 2.611 20 30 FFEDLO CO[C@@H]1C[C@H]2C[N@@H+](Cc3cc(C#N)cnc3Cl)Cc3cccnc3N2C1 ZINC000877691877 1014686110 /nfs/dbraw/zinc/68/61/10/1014686110.db2.gz QMSYUTJJDLJXOJ-DLBZAZTESA-N 1 2 369.856 2.611 20 30 FFEDLO Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000907070248 981194349 /nfs/dbraw/zinc/19/43/49/981194349.db2.gz UTFZOWNRRNKOMM-UHFFFAOYSA-N 1 2 364.449 2.896 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000907948037 981330554 /nfs/dbraw/zinc/33/05/54/981330554.db2.gz LTSLBUXWJXFJIL-PKOBYXMFSA-N 1 2 354.454 2.706 20 30 FFEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000907948035 981330586 /nfs/dbraw/zinc/33/05/86/981330586.db2.gz LTSLBUXWJXFJIL-IEBWSBKVSA-N 1 2 354.454 2.706 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2OC)C[C@H]1OC ZINC001212022476 981459358 /nfs/dbraw/zinc/45/93/58/981459358.db2.gz SSRISNOCAWCSII-NVXWUHKLSA-N 1 2 352.862 2.630 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2OC)C[C@H]1OC ZINC001212022476 981459363 /nfs/dbraw/zinc/45/93/63/981459363.db2.gz SSRISNOCAWCSII-NVXWUHKLSA-N 1 2 352.862 2.630 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Br)cc2)C[C@H]1OC ZINC001212024132 981460148 /nfs/dbraw/zinc/46/01/48/981460148.db2.gz KOQGEORNZSCGGQ-HZPDHXFCSA-N 1 2 367.287 2.731 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(Br)cc2)C[C@H]1OC ZINC001212024132 981460151 /nfs/dbraw/zinc/46/01/51/981460151.db2.gz KOQGEORNZSCGGQ-HZPDHXFCSA-N 1 2 367.287 2.731 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC000944968642 983995657 /nfs/dbraw/zinc/99/56/57/983995657.db2.gz PAFJYUBFEKQUOA-HZPDHXFCSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC000944968642 983995659 /nfs/dbraw/zinc/99/56/59/983995659.db2.gz PAFJYUBFEKQUOA-HZPDHXFCSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CC[C@H]1N(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CCCC1(C)C ZINC000671399380 984087765 /nfs/dbraw/zinc/08/77/65/984087765.db2.gz ZDUCVNUKCJPGJX-LJQANCHMSA-N 1 2 369.509 2.712 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCN(C(=O)N(C)C)CC1(C)C)c1ccccc1 ZINC000878380491 1015016698 /nfs/dbraw/zinc/01/66/98/1015016698.db2.gz COBWXGWXUGXGHJ-OAQYLSRUSA-N 1 2 370.497 2.505 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCN(C(=O)N(C)C)CC1(C)C)c1ccccc1 ZINC000878380491 1015016709 /nfs/dbraw/zinc/01/67/09/1015016709.db2.gz COBWXGWXUGXGHJ-OAQYLSRUSA-N 1 2 370.497 2.505 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)c2nnc(C)[nH]2)C1 ZINC001112110345 984640213 /nfs/dbraw/zinc/64/02/13/984640213.db2.gz KRPYYNOOVSLBHO-CYZMBNFOSA-N 1 2 359.396 2.509 20 30 FFEDLO Cc1ccc(-c2noc(CO[NH+]=C(N)c3ccc4c(c3)CCO4)n2)cc1 ZINC000158223123 984811083 /nfs/dbraw/zinc/81/10/83/984811083.db2.gz BQJCNIQCTQFERG-UHFFFAOYSA-N 1 2 350.378 2.817 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ccc(F)c(F)c3)C[C@H]2O)C1 ZINC001077645509 984913031 /nfs/dbraw/zinc/91/30/31/984913031.db2.gz KBQNFQTWPANUGM-JCURWCKSSA-N 1 2 350.409 2.543 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ccc(F)c(F)c3)C[C@H]2O)C1 ZINC001077645509 984913036 /nfs/dbraw/zinc/91/30/36/984913036.db2.gz KBQNFQTWPANUGM-JCURWCKSSA-N 1 2 350.409 2.543 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ccc(F)c(F)c3)C[C@H]2O)C1 ZINC001077645508 984913263 /nfs/dbraw/zinc/91/32/63/984913263.db2.gz KBQNFQTWPANUGM-CSMYWGQOSA-N 1 2 350.409 2.543 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ccc(F)c(F)c3)C[C@H]2O)C1 ZINC001077645508 984913268 /nfs/dbraw/zinc/91/32/68/984913268.db2.gz KBQNFQTWPANUGM-CSMYWGQOSA-N 1 2 350.409 2.543 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCO3)[C@H]1C ZINC001088875980 985257898 /nfs/dbraw/zinc/25/78/98/985257898.db2.gz NWDXXEDTDMORQQ-DOMZBBRYSA-N 1 2 365.271 2.723 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCO3)[C@H]1C ZINC001088875980 985257911 /nfs/dbraw/zinc/25/79/11/985257911.db2.gz NWDXXEDTDMORQQ-DOMZBBRYSA-N 1 2 365.271 2.723 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2Cc3ccccc3C2)[C@H]1C ZINC001088877976 985270729 /nfs/dbraw/zinc/27/07/29/985270729.db2.gz UJSKEUXKJZJOAA-DYVFJYSZSA-N 1 2 363.299 2.889 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2Cc3ccccc3C2)[C@H]1C ZINC001088877976 985270736 /nfs/dbraw/zinc/27/07/36/985270736.db2.gz UJSKEUXKJZJOAA-DYVFJYSZSA-N 1 2 363.299 2.889 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3csc(C)n3)[C@@H]2C)cc1 ZINC001088906939 985414404 /nfs/dbraw/zinc/41/44/04/985414404.db2.gz SKWULDKHACFOCW-KUHUBIRLSA-N 1 2 369.490 2.856 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3csc(C)n3)[C@@H]2C)cc1 ZINC001088906939 985414417 /nfs/dbraw/zinc/41/44/17/985414417.db2.gz SKWULDKHACFOCW-KUHUBIRLSA-N 1 2 369.490 2.856 20 30 FFEDLO CC(C)(Cc1ccc(C#N)cc1)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000921631524 985507679 /nfs/dbraw/zinc/50/76/79/985507679.db2.gz WHISUTVIFPNFJD-GOSISDBHSA-N 1 2 363.465 2.852 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)cc3F)[C@@H]2C)nc1 ZINC001088988261 985779563 /nfs/dbraw/zinc/77/95/63/985779563.db2.gz MPCAEZWTONSSPM-ACJLOTCBSA-N 1 2 355.388 2.734 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)cc3F)[C@@H]2C)nc1 ZINC001088988261 985779567 /nfs/dbraw/zinc/77/95/67/985779567.db2.gz MPCAEZWTONSSPM-ACJLOTCBSA-N 1 2 355.388 2.734 20 30 FFEDLO CCC[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(OC)c(C#N)c1 ZINC001032612878 986021443 /nfs/dbraw/zinc/02/14/43/986021443.db2.gz FVNKNPRFAQYAFF-XGXHKWSGSA-N 1 2 353.466 2.788 20 30 FFEDLO CCC[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(OC)c(C#N)c1 ZINC001032612878 986021454 /nfs/dbraw/zinc/02/14/54/986021454.db2.gz FVNKNPRFAQYAFF-XGXHKWSGSA-N 1 2 353.466 2.788 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H](C)n2nc(C)cc2C)[C@H]1C ZINC001089071102 986187920 /nfs/dbraw/zinc/18/79/20/986187920.db2.gz OIMQPGQECVNDMY-ILXRZTDVSA-N 1 2 369.307 2.549 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)n2nc(C)cc2C)[C@H]1C ZINC001089071102 986187922 /nfs/dbraw/zinc/18/79/22/986187922.db2.gz OIMQPGQECVNDMY-ILXRZTDVSA-N 1 2 369.307 2.549 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1coc(C3CC3)n1)CC2 ZINC000992243383 986561272 /nfs/dbraw/zinc/56/12/72/986561272.db2.gz VIWYACXRLXZGRX-WKRCXCSHSA-N 1 2 371.481 2.756 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1coc(C3CC3)n1)CC2 ZINC000992243383 986561286 /nfs/dbraw/zinc/56/12/86/986561286.db2.gz VIWYACXRLXZGRX-WKRCXCSHSA-N 1 2 371.481 2.756 20 30 FFEDLO C#CC[C@H]1CCN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000888395285 986996095 /nfs/dbraw/zinc/99/60/95/986996095.db2.gz SKBXTAVSOVKSCF-KRWDZBQOSA-N 1 2 354.498 2.776 20 30 FFEDLO N#Cc1ccc(C2CC[NH+](Cc3cn(Cc4ccccc4)nn3)CC2)nc1 ZINC000879022846 1015328984 /nfs/dbraw/zinc/32/89/84/1015328984.db2.gz ANVDLWVJGFUQLU-UHFFFAOYSA-N 1 2 358.449 2.973 20 30 FFEDLO CC(C)c1ccc(OCCNC(=O)CO[NH+]=C(N)c2ccc(F)cc2)cc1 ZINC000762663307 988571583 /nfs/dbraw/zinc/57/15/83/988571583.db2.gz DHLFMAYVMSUIJC-UHFFFAOYSA-N 1 2 373.428 2.781 20 30 FFEDLO CO[C@H]1C[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)Cc3cccnc3N2C1 ZINC000879267952 1015447903 /nfs/dbraw/zinc/44/79/03/1015447903.db2.gz BHPXGFQWIRHCIF-MSOLQXFVSA-N 1 2 352.413 2.702 20 30 FFEDLO CO[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)Cc3cccnc3N2C1 ZINC000879267952 1015447905 /nfs/dbraw/zinc/44/79/05/1015447905.db2.gz BHPXGFQWIRHCIF-MSOLQXFVSA-N 1 2 352.413 2.702 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001034213254 989967693 /nfs/dbraw/zinc/96/76/93/989967693.db2.gz ROBRDUUQYYNVLJ-KSZLIROESA-N 1 2 361.486 2.743 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001034213254 989967696 /nfs/dbraw/zinc/96/76/96/989967696.db2.gz ROBRDUUQYYNVLJ-KSZLIROESA-N 1 2 361.486 2.743 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ncc(CC)o2)C1 ZINC001034441327 990084807 /nfs/dbraw/zinc/08/48/07/990084807.db2.gz FTNYASZNOTUTCL-IEZWGBDMSA-N 1 2 361.486 2.689 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ncc(CC)o2)C1 ZINC001034441327 990084816 /nfs/dbraw/zinc/08/48/16/990084816.db2.gz FTNYASZNOTUTCL-IEZWGBDMSA-N 1 2 361.486 2.689 20 30 FFEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000154659073 990351195 /nfs/dbraw/zinc/35/11/95/990351195.db2.gz JZEXUKLMVWIIIF-UHFFFAOYSA-N 1 2 370.399 2.935 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000918188328 990352441 /nfs/dbraw/zinc/35/24/41/990352441.db2.gz IOHLJDCOJUBVNB-GFCCVEGCSA-N 1 2 370.840 2.770 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000918188328 990352447 /nfs/dbraw/zinc/35/24/47/990352447.db2.gz IOHLJDCOJUBVNB-GFCCVEGCSA-N 1 2 370.840 2.770 20 30 FFEDLO CC#CCCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001078992746 990444246 /nfs/dbraw/zinc/44/42/46/990444246.db2.gz JKBRDUUGSHYLBM-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO CC#CCCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001078992746 990444252 /nfs/dbraw/zinc/44/42/52/990444252.db2.gz JKBRDUUGSHYLBM-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO Cc1nn2c(nc3ccccc3c2=O)c1=C[NH2+]Nc1ccccc1[N+](=O)[O-] ZINC000918708514 990477227 /nfs/dbraw/zinc/47/72/27/990477227.db2.gz JXWYCIWIHYYPRR-UHFFFAOYSA-N 1 2 362.349 2.838 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1n1ccnn1 ZINC001129188788 990489248 /nfs/dbraw/zinc/48/92/48/990489248.db2.gz ASTCGBPIITUAQD-LZQZEXGQSA-N 1 2 371.460 2.561 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1n1ccnn1 ZINC001129188788 990489251 /nfs/dbraw/zinc/48/92/51/990489251.db2.gz ASTCGBPIITUAQD-LZQZEXGQSA-N 1 2 371.460 2.561 20 30 FFEDLO CC[C@@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C1 ZINC001212240706 990642151 /nfs/dbraw/zinc/64/21/51/990642151.db2.gz BCUOMQXPHVHYCN-CEXWTWQISA-N 1 2 364.436 2.891 20 30 FFEDLO CC[C@@H](c1ccc(F)cc1F)[N@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C1 ZINC001212240706 990642154 /nfs/dbraw/zinc/64/21/54/990642154.db2.gz BCUOMQXPHVHYCN-CEXWTWQISA-N 1 2 364.436 2.891 20 30 FFEDLO C#CCCCCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001062297856 990698517 /nfs/dbraw/zinc/69/85/17/990698517.db2.gz AAKLZHRNHJLRED-KZNAEPCWSA-N 1 2 370.497 2.594 20 30 FFEDLO C#CCCCCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001062297856 990698521 /nfs/dbraw/zinc/69/85/21/990698521.db2.gz AAKLZHRNHJLRED-KZNAEPCWSA-N 1 2 370.497 2.594 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]c(C(C)C)n1 ZINC001062598603 990725400 /nfs/dbraw/zinc/72/54/00/990725400.db2.gz YCZVRVGITFARAW-FJIDUMEYSA-N 1 2 370.497 2.679 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(F)cc4c3OCOC4)CC2)cc1 ZINC000879584909 1015597217 /nfs/dbraw/zinc/59/72/17/1015597217.db2.gz MQCICICKRREBHT-UHFFFAOYSA-N 1 2 353.397 2.886 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1CC)C1CC[NH+]([C@H](C)c2nc(CC)no2)CC1 ZINC001483987100 991302011 /nfs/dbraw/zinc/30/20/11/991302011.db2.gz DCQGOMFGJVOOAW-BFYDXBDKSA-N 1 2 358.486 2.665 20 30 FFEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)cc1 ZINC000179979121 991387620 /nfs/dbraw/zinc/38/76/20/991387620.db2.gz QZGCSHCBSJQAQM-SFHVURJKSA-N 1 2 363.461 2.864 20 30 FFEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001089695190 991405127 /nfs/dbraw/zinc/40/51/27/991405127.db2.gz FQOGPMWJGXPIQA-ARFHVFGLSA-N 1 2 364.921 2.883 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001089695190 991405132 /nfs/dbraw/zinc/40/51/32/991405132.db2.gz FQOGPMWJGXPIQA-ARFHVFGLSA-N 1 2 364.921 2.883 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccon1 ZINC001089708065 991445053 /nfs/dbraw/zinc/44/50/53/991445053.db2.gz AZQKSNPHUCWTKC-SQNIBIBYSA-N 1 2 361.486 2.763 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccon1 ZINC001089708065 991445058 /nfs/dbraw/zinc/44/50/58/991445058.db2.gz AZQKSNPHUCWTKC-SQNIBIBYSA-N 1 2 361.486 2.763 20 30 FFEDLO Cc1nc(N[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)ccc1C#N ZINC001063411695 991475506 /nfs/dbraw/zinc/47/55/06/991475506.db2.gz HHHRBDFKRVWSBE-QBPKDAKJSA-N 1 2 364.453 2.628 20 30 FFEDLO Cc1nc(N[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)ccc1C#N ZINC001063411695 991475509 /nfs/dbraw/zinc/47/55/09/991475509.db2.gz HHHRBDFKRVWSBE-QBPKDAKJSA-N 1 2 364.453 2.628 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCCN(c1cc[nH+]c(C)n1)C2 ZINC001064570404 991633853 /nfs/dbraw/zinc/63/38/53/991633853.db2.gz IZTIKTLYGQSPES-LQWHRVPQSA-N 1 2 370.497 2.585 20 30 FFEDLO CN(C)c1[nH+]ccc2cc(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)ccc21 ZINC000879715961 1015652447 /nfs/dbraw/zinc/65/24/47/1015652447.db2.gz VYLQFYXEVPEJMY-QGZVFWFLSA-N 1 2 364.453 2.505 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C(C)(C)C(C)C ZINC001212335362 991720400 /nfs/dbraw/zinc/72/04/00/991720400.db2.gz YOINOCVJFDWDMQ-QZTJIDSGSA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C(C)(C)C(C)C ZINC001212335362 991720411 /nfs/dbraw/zinc/72/04/11/991720411.db2.gz YOINOCVJFDWDMQ-QZTJIDSGSA-N 1 2 361.461 2.695 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2sc(C)cc2C)C1 ZINC001079135829 991824334 /nfs/dbraw/zinc/82/43/34/991824334.db2.gz PJSHBPDHWROHMG-RTBURBONSA-N 1 2 368.502 2.686 20 30 FFEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2sc(C)cc2C)C1 ZINC001079135829 991824340 /nfs/dbraw/zinc/82/43/40/991824340.db2.gz PJSHBPDHWROHMG-RTBURBONSA-N 1 2 368.502 2.686 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2C)CC1 ZINC000939917463 991879519 /nfs/dbraw/zinc/87/95/19/991879519.db2.gz BSLBJPBVYNHVLT-NVXWUHKLSA-N 1 2 366.465 2.657 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)c1cc(Cl)c[nH]1 ZINC001079418912 992081544 /nfs/dbraw/zinc/08/15/44/992081544.db2.gz VGJOJJBTSQVSGY-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)c1cc(Cl)c[nH]1 ZINC001079418912 992081552 /nfs/dbraw/zinc/08/15/52/992081552.db2.gz VGJOJJBTSQVSGY-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)o2)CC1(C)C ZINC000940753940 992142376 /nfs/dbraw/zinc/14/23/76/992142376.db2.gz RDIQWSGSWNPTHN-IKGGRYGDSA-N 1 2 361.486 2.681 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncc(C)o2)CC1(C)C ZINC000940753940 992142379 /nfs/dbraw/zinc/14/23/79/992142379.db2.gz RDIQWSGSWNPTHN-IKGGRYGDSA-N 1 2 361.486 2.681 20 30 FFEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001079581519 992225422 /nfs/dbraw/zinc/22/54/22/992225422.db2.gz RUVQMDYZUSQMJY-XJKCOSOUSA-N 1 2 369.469 2.983 20 30 FFEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001079581519 992225433 /nfs/dbraw/zinc/22/54/33/992225433.db2.gz RUVQMDYZUSQMJY-XJKCOSOUSA-N 1 2 369.469 2.983 20 30 FFEDLO CCc1[nH]ccc1C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001079653574 992283110 /nfs/dbraw/zinc/28/31/10/992283110.db2.gz OXTXKYMTMCKRMQ-BFUOFWGJSA-N 1 2 354.429 2.838 20 30 FFEDLO CCc1[nH]ccc1C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001079653574 992283122 /nfs/dbraw/zinc/28/31/22/992283122.db2.gz OXTXKYMTMCKRMQ-BFUOFWGJSA-N 1 2 354.429 2.838 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2coc(C)n2)CC1(C)C ZINC000941093450 992293680 /nfs/dbraw/zinc/29/36/80/992293680.db2.gz PVUHAJXFTVNYPR-BZSNNMDCSA-N 1 2 361.486 2.681 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2coc(C)n2)CC1(C)C ZINC000941093450 992293688 /nfs/dbraw/zinc/29/36/88/992293688.db2.gz PVUHAJXFTVNYPR-BZSNNMDCSA-N 1 2 361.486 2.681 20 30 FFEDLO CC(C)c1n[nH]cc1C(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001080025302 992659611 /nfs/dbraw/zinc/65/96/11/992659611.db2.gz UDOFBVYGSAXPJL-FZKQIMNGSA-N 1 2 369.444 2.794 20 30 FFEDLO CC(C)c1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001080025302 992659616 /nfs/dbraw/zinc/65/96/16/992659616.db2.gz UDOFBVYGSAXPJL-FZKQIMNGSA-N 1 2 369.444 2.794 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(F)c2)C1 ZINC001032040873 992739879 /nfs/dbraw/zinc/73/98/79/992739879.db2.gz YQRJUKLFCTVGEF-LPHOPBHVSA-N 1 2 364.436 2.884 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001080111542 992744653 /nfs/dbraw/zinc/74/46/53/992744653.db2.gz DOKXQLWBCZRFJT-KWCYVHTRSA-N 1 2 359.308 2.537 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001080111542 992744658 /nfs/dbraw/zinc/74/46/58/992744658.db2.gz DOKXQLWBCZRFJT-KWCYVHTRSA-N 1 2 359.308 2.537 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccn(C(C)C)n3)C[C@H]2C)cc1 ZINC001080244813 992869380 /nfs/dbraw/zinc/86/93/80/992869380.db2.gz NIASDOHUPMBWQD-OXQOHEQNSA-N 1 2 350.466 2.696 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccn(C(C)C)n3)C[C@H]2C)cc1 ZINC001080244813 992869386 /nfs/dbraw/zinc/86/93/86/992869386.db2.gz NIASDOHUPMBWQD-OXQOHEQNSA-N 1 2 350.466 2.696 20 30 FFEDLO CCc1ncoc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC001080408868 993037513 /nfs/dbraw/zinc/03/75/13/993037513.db2.gz RTZOANWYLYIZIK-RDTXWAMCSA-N 1 2 371.868 2.992 20 30 FFEDLO CCc1ncoc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC001080408868 993037517 /nfs/dbraw/zinc/03/75/17/993037517.db2.gz RTZOANWYLYIZIK-RDTXWAMCSA-N 1 2 371.868 2.992 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(O)ccc3Cl)C[C@H]2C)c1 ZINC001080409680 993038889 /nfs/dbraw/zinc/03/88/89/993038889.db2.gz KDLULUAWDHBQOA-BFUOFWGJSA-N 1 2 369.852 2.672 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3cc(O)ccc3Cl)C[C@H]2C)c1 ZINC001080409680 993038893 /nfs/dbraw/zinc/03/88/93/993038893.db2.gz KDLULUAWDHBQOA-BFUOFWGJSA-N 1 2 369.852 2.672 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCc2nc(CCC(C)C)no2)cc1OC ZINC000072672656 993258247 /nfs/dbraw/zinc/25/82/47/993258247.db2.gz FPKKZCDGKYTLOH-UHFFFAOYSA-N 1 2 362.430 2.707 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1cnoc1C1CC1 ZINC001080706308 993295725 /nfs/dbraw/zinc/29/57/25/993295725.db2.gz NCMVCIJYBAPAPL-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1cnoc1C1CC1 ZINC001080706308 993295731 /nfs/dbraw/zinc/29/57/31/993295731.db2.gz NCMVCIJYBAPAPL-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)cc2)C1 ZINC001080831927 993405715 /nfs/dbraw/zinc/40/57/15/993405715.db2.gz IPOHBGPBEQRDAR-IAQYHMDHSA-N 1 2 353.260 2.654 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)cc2)C1 ZINC001080831927 993405722 /nfs/dbraw/zinc/40/57/22/993405722.db2.gz IPOHBGPBEQRDAR-IAQYHMDHSA-N 1 2 353.260 2.654 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]Cc3csnn3)C2)C1 ZINC001081176609 993736967 /nfs/dbraw/zinc/73/69/67/993736967.db2.gz BCWYUEAMJFVSEJ-ZWKOTPCHSA-N 1 2 368.506 2.979 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CCCC12CC2 ZINC001081850895 994019683 /nfs/dbraw/zinc/01/96/83/994019683.db2.gz XEQHRMZQDBVHJK-QXAKKESOSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CCCC12CC2 ZINC001081850895 994019690 /nfs/dbraw/zinc/01/96/90/994019690.db2.gz XEQHRMZQDBVHJK-QXAKKESOSA-N 1 2 371.456 2.593 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OC)c(F)c3)C[C@H]2OC)C1 ZINC001082102980 994183859 /nfs/dbraw/zinc/18/38/59/994183859.db2.gz NAZSTOPJWQULCO-SJLPKXTDSA-N 1 2 362.445 2.506 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccc(OC)c(F)c3)C[C@H]2OC)C1 ZINC001082102980 994183866 /nfs/dbraw/zinc/18/38/66/994183866.db2.gz NAZSTOPJWQULCO-SJLPKXTDSA-N 1 2 362.445 2.506 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cc(C)ccc1F ZINC001082175707 994225244 /nfs/dbraw/zinc/22/52/44/994225244.db2.gz KUNDNCBLAALKGP-NHCUHLMSSA-N 1 2 366.436 2.615 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cc(C)ccc1F ZINC001082175707 994225258 /nfs/dbraw/zinc/22/52/58/994225258.db2.gz KUNDNCBLAALKGP-NHCUHLMSSA-N 1 2 366.436 2.615 20 30 FFEDLO C=CCN(C(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(C)C ZINC000808784091 994261996 /nfs/dbraw/zinc/26/19/96/994261996.db2.gz PXIODETXPZLLFL-LJQANCHMSA-N 1 2 368.481 2.780 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1ccc(C)cc1 ZINC001082341231 994421139 /nfs/dbraw/zinc/42/11/39/994421139.db2.gz CAKNPCWCMVOLHM-NHCUHLMSSA-N 1 2 366.436 2.615 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1ccc(C)cc1 ZINC001082341231 994421145 /nfs/dbraw/zinc/42/11/45/994421145.db2.gz CAKNPCWCMVOLHM-NHCUHLMSSA-N 1 2 366.436 2.615 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CC2)c1C#N ZINC000810039260 994687430 /nfs/dbraw/zinc/68/74/30/994687430.db2.gz BGQOUIUWTPWPFM-MRXNPFEDSA-N 1 2 371.437 2.588 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2COC(=O)NC2CC2)c1C#N ZINC000810039260 994687436 /nfs/dbraw/zinc/68/74/36/994687436.db2.gz BGQOUIUWTPWPFM-MRXNPFEDSA-N 1 2 371.437 2.588 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001082533257 994840248 /nfs/dbraw/zinc/84/02/48/994840248.db2.gz QMZSQAPWGVJOOK-ZWNOBZJWSA-N 1 2 352.866 2.662 20 30 FFEDLO C#CC[N@@H+](CC)CC(=O)Nc1c(C(=O)OCC)sc2nc(C)cc(C)c21 ZINC000749154905 1015924588 /nfs/dbraw/zinc/92/45/88/1015924588.db2.gz IFUJVZNWJBKOOK-UHFFFAOYSA-N 1 2 373.478 2.983 20 30 FFEDLO C#CC[N@H+](CC)CC(=O)Nc1c(C(=O)OCC)sc2nc(C)cc(C)c21 ZINC000749154905 1015924596 /nfs/dbraw/zinc/92/45/96/1015924596.db2.gz IFUJVZNWJBKOOK-UHFFFAOYSA-N 1 2 373.478 2.983 20 30 FFEDLO N#Cc1ccc(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)cc1[N+](=O)[O-] ZINC000811786581 995261418 /nfs/dbraw/zinc/26/14/18/995261418.db2.gz RTLHJZKQCQOZPT-UHFFFAOYSA-N 1 2 365.393 2.912 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(OC)ccc1OC)C2 ZINC001096518065 1015957305 /nfs/dbraw/zinc/95/73/05/1015957305.db2.gz TWCQWLVSIACFET-KCXAZCMYSA-N 1 2 350.846 2.791 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(OC)ccc1OC)C2 ZINC001096518065 1015957308 /nfs/dbraw/zinc/95/73/08/1015957308.db2.gz TWCQWLVSIACFET-KCXAZCMYSA-N 1 2 350.846 2.791 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C3CC3)o2)C1)c1ccccc1 ZINC001082937390 995870470 /nfs/dbraw/zinc/87/04/70/995870470.db2.gz UJRFKDGLZSYICC-FHLIZLRMSA-N 1 2 366.465 2.853 20 30 FFEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C ZINC000679329561 1016006033 /nfs/dbraw/zinc/00/60/33/1016006033.db2.gz UMURXEDTSANAPZ-UHFFFAOYSA-N 1 2 370.409 2.807 20 30 FFEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C ZINC000679329561 1016006042 /nfs/dbraw/zinc/00/60/42/1016006042.db2.gz UMURXEDTSANAPZ-UHFFFAOYSA-N 1 2 370.409 2.807 20 30 FFEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccccc4F)C[C@@H]32)CC1 ZINC001083183670 996172855 /nfs/dbraw/zinc/17/28/55/996172855.db2.gz PMFAPCFLXDTUDE-VQTJNVASSA-N 1 2 358.457 2.984 20 30 FFEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccccc4F)C[C@@H]32)CC1 ZINC001083183670 996172858 /nfs/dbraw/zinc/17/28/58/996172858.db2.gz PMFAPCFLXDTUDE-VQTJNVASSA-N 1 2 358.457 2.984 20 30 FFEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4cc(C)ns4)C[C@@H]32)CC1 ZINC001083183982 996173405 /nfs/dbraw/zinc/17/34/05/996173405.db2.gz IVFMWZVBGOEMJC-ZWKOTPCHSA-N 1 2 361.511 2.610 20 30 FFEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@H+](Cc4cc(C)ns4)C[C@@H]32)CC1 ZINC001083183982 996173408 /nfs/dbraw/zinc/17/34/08/996173408.db2.gz IVFMWZVBGOEMJC-ZWKOTPCHSA-N 1 2 361.511 2.610 20 30 FFEDLO CC1=C(C)C[C@](C)(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)CC1 ZINC001084105012 996256151 /nfs/dbraw/zinc/25/61/51/996256151.db2.gz PZASGDDBTWMBHG-FUPPJEDESA-N 1 2 366.505 2.726 20 30 FFEDLO CC1=C(C)C[C@](C)(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)CC1 ZINC001084105012 996256155 /nfs/dbraw/zinc/25/61/55/996256155.db2.gz PZASGDDBTWMBHG-FUPPJEDESA-N 1 2 366.505 2.726 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[C@@H]4CCCO4)[C@@H]3C2)c1 ZINC001084204515 996339740 /nfs/dbraw/zinc/33/97/40/996339740.db2.gz YNSJESFKYJENOB-IMFGXOCKSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)CC[C@@H]4CCCO4)[C@@H]3C2)c1 ZINC001084204515 996339743 /nfs/dbraw/zinc/33/97/43/996339743.db2.gz YNSJESFKYJENOB-IMFGXOCKSA-N 1 2 371.456 2.689 20 30 FFEDLO Cc1ccncc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084250695 996355386 /nfs/dbraw/zinc/35/53/86/996355386.db2.gz RWDPNPSFTSEVBW-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1ccncc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084250695 996355390 /nfs/dbraw/zinc/35/53/90/996355390.db2.gz RWDPNPSFTSEVBW-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1ccncc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084250378 996356014 /nfs/dbraw/zinc/35/60/14/996356014.db2.gz DETMRULPBGJRES-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1ccncc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084250378 996356017 /nfs/dbraw/zinc/35/60/17/996356017.db2.gz DETMRULPBGJRES-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)co1 ZINC001084303610 996434729 /nfs/dbraw/zinc/43/47/29/996434729.db2.gz NIDFPLPIPUVVDV-VQIMIIECSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)co1 ZINC001084303610 996434730 /nfs/dbraw/zinc/43/47/30/996434730.db2.gz NIDFPLPIPUVVDV-VQIMIIECSA-N 1 2 353.397 2.945 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C(F)(F)F)CCOCC3)[C@@H]2C1 ZINC001084353127 996480675 /nfs/dbraw/zinc/48/06/75/996480675.db2.gz ZQGUOFYAGVTTRP-CHWSQXEVSA-N 1 2 366.811 2.631 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C(F)(F)F)CCOCC3)[C@@H]2C1 ZINC001084353127 996480677 /nfs/dbraw/zinc/48/06/77/996480677.db2.gz ZQGUOFYAGVTTRP-CHWSQXEVSA-N 1 2 366.811 2.631 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084353622 996480876 /nfs/dbraw/zinc/48/08/76/996480876.db2.gz VKBIWCLCYGGWRA-NCYKPQTJSA-N 1 2 365.477 2.572 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084353622 996480879 /nfs/dbraw/zinc/48/08/79/996480879.db2.gz VKBIWCLCYGGWRA-NCYKPQTJSA-N 1 2 365.477 2.572 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Oc3ccccc3F)[C@@H]2C1 ZINC001084366364 996491991 /nfs/dbraw/zinc/49/19/91/996491991.db2.gz LOQNQCQHQWXWND-IIAWOOMASA-N 1 2 352.837 2.878 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Oc3ccccc3F)[C@@H]2C1 ZINC001084366364 996491993 /nfs/dbraw/zinc/49/19/93/996491993.db2.gz LOQNQCQHQWXWND-IIAWOOMASA-N 1 2 352.837 2.878 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cnc4[nH]ccc4c3)[C@@H]2C1 ZINC001084429908 996548094 /nfs/dbraw/zinc/54/80/94/996548094.db2.gz TXWRPCMINLTQPG-UYAOXDASSA-N 1 2 371.444 2.733 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4[nH]ccc4c3)[C@@H]2C1 ZINC001084429908 996548096 /nfs/dbraw/zinc/54/80/96/996548096.db2.gz TXWRPCMINLTQPG-UYAOXDASSA-N 1 2 371.444 2.733 20 30 FFEDLO CCc1cnccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084469026 996580559 /nfs/dbraw/zinc/58/05/59/996580559.db2.gz MJKYLELWXZZQEH-TZIWHRDSSA-N 1 2 360.461 2.862 20 30 FFEDLO CCc1cnccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084469026 996580564 /nfs/dbraw/zinc/58/05/64/996580564.db2.gz MJKYLELWXZZQEH-TZIWHRDSSA-N 1 2 360.461 2.862 20 30 FFEDLO CCc1cccnc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084469200 996580797 /nfs/dbraw/zinc/58/07/97/996580797.db2.gz TXQOCEAPVHZJGP-NHCUHLMSSA-N 1 2 359.473 2.842 20 30 FFEDLO CCc1cccnc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084469200 996580801 /nfs/dbraw/zinc/58/08/01/996580801.db2.gz TXQOCEAPVHZJGP-NHCUHLMSSA-N 1 2 359.473 2.842 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cn4cc(C)sc4n3)[C@@H]2C1 ZINC001084484386 996603460 /nfs/dbraw/zinc/60/34/60/996603460.db2.gz SQIIYNDSUORXPS-UKRRQHHQSA-N 1 2 364.902 2.532 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cn4cc(C)sc4n3)[C@@H]2C1 ZINC001084484386 996603467 /nfs/dbraw/zinc/60/34/67/996603467.db2.gz SQIIYNDSUORXPS-UKRRQHHQSA-N 1 2 364.902 2.532 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn4cccc(Cl)c34)[C@@H]2C1 ZINC001084504135 996627771 /nfs/dbraw/zinc/62/77/71/996627771.db2.gz CDYRBHQNLYTIQL-IUODEOHRSA-N 1 2 365.264 2.887 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn4cccc(Cl)c34)[C@@H]2C1 ZINC001084504135 996627773 /nfs/dbraw/zinc/62/77/73/996627773.db2.gz CDYRBHQNLYTIQL-IUODEOHRSA-N 1 2 365.264 2.887 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)c[nH]3)[C@@H]2C1 ZINC001084496499 996636110 /nfs/dbraw/zinc/63/61/10/996636110.db2.gz IVHJXCKNFZMCPU-ZWNOBZJWSA-N 1 2 358.667 2.676 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)c[nH]3)[C@@H]2C1 ZINC001084496499 996636112 /nfs/dbraw/zinc/63/61/12/996636112.db2.gz IVHJXCKNFZMCPU-ZWNOBZJWSA-N 1 2 358.667 2.676 20 30 FFEDLO CO[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21)C1CCC1 ZINC001084552891 996671833 /nfs/dbraw/zinc/67/18/33/996671833.db2.gz SYVVUCUJEBLTQZ-NSISKUIASA-N 1 2 371.456 2.545 20 30 FFEDLO CO[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21)C1CCC1 ZINC001084552891 996671838 /nfs/dbraw/zinc/67/18/38/996671838.db2.gz SYVVUCUJEBLTQZ-NSISKUIASA-N 1 2 371.456 2.545 20 30 FFEDLO CCc1nocc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084641035 996753301 /nfs/dbraw/zinc/75/33/01/996753301.db2.gz XVXIMOYUIKIBCI-AUUYWEPGSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1nocc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084641035 996753305 /nfs/dbraw/zinc/75/33/05/996753305.db2.gz XVXIMOYUIKIBCI-AUUYWEPGSA-N 1 2 368.412 2.594 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2sc(C)c(Br)c2OC)CC1 ZINC001136863224 996904754 /nfs/dbraw/zinc/90/47/54/996904754.db2.gz UICDLAVJHZKGOA-UHFFFAOYSA-N 1 2 371.300 2.609 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2sc(C)c(Br)c2OC)CC1 ZINC001136863224 996904768 /nfs/dbraw/zinc/90/47/68/996904768.db2.gz UICDLAVJHZKGOA-UHFFFAOYSA-N 1 2 371.300 2.609 20 30 FFEDLO CCc1oncc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084693913 996907009 /nfs/dbraw/zinc/90/70/09/996907009.db2.gz DDRXICCHGRDCID-CRAIPNDOSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1oncc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084693913 996907027 /nfs/dbraw/zinc/90/70/27/996907027.db2.gz DDRXICCHGRDCID-CRAIPNDOSA-N 1 2 368.412 2.594 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccn(C(C)(C)C)c3=O)[C@@H]2C1 ZINC001084710642 997019867 /nfs/dbraw/zinc/01/98/67/997019867.db2.gz QPCIFMOJQSDNCN-GDBMZVCRSA-N 1 2 363.889 2.502 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccn(C(C)(C)C)c3=O)[C@@H]2C1 ZINC001084710642 997019881 /nfs/dbraw/zinc/01/98/81/997019881.db2.gz QPCIFMOJQSDNCN-GDBMZVCRSA-N 1 2 363.889 2.502 20 30 FFEDLO C=CCOCCNC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000679503500 1016084618 /nfs/dbraw/zinc/08/46/18/1016084618.db2.gz AZMDIVKACIFLBJ-UHFFFAOYSA-N 1 2 371.403 2.735 20 30 FFEDLO CCC#C[C@H](C)[NH+]1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000677046708 1016085980 /nfs/dbraw/zinc/08/59/80/1016085980.db2.gz GXVIYHBWTPMGGN-INIZCTEOSA-N 1 2 354.454 2.665 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4c[nH]nc4C4CC4)[C@@H]3C2)s1 ZINC001084753603 997206101 /nfs/dbraw/zinc/20/61/01/997206101.db2.gz TVHFPNCLTAKQEI-CXAGYDPISA-N 1 2 367.478 2.567 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]nc4C4CC4)[C@@H]3C2)s1 ZINC001084753603 997206111 /nfs/dbraw/zinc/20/61/11/997206111.db2.gz TVHFPNCLTAKQEI-CXAGYDPISA-N 1 2 367.478 2.567 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1C[C@@H](c2ccccc2)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001090852510 997293968 /nfs/dbraw/zinc/29/39/68/997293968.db2.gz GFDJNMJRPYPXDI-WAOWUJCRSA-N 1 2 366.465 2.519 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21)c1cccnc1 ZINC001084781876 997309329 /nfs/dbraw/zinc/30/93/29/997309329.db2.gz UGQOGRWVFSGDKZ-MAODMQOUSA-N 1 2 360.461 2.790 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21)c1cccnc1 ZINC001084781876 997309331 /nfs/dbraw/zinc/30/93/31/997309331.db2.gz UGQOGRWVFSGDKZ-MAODMQOUSA-N 1 2 360.461 2.790 20 30 FFEDLO COc1cccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)c1 ZINC001084793989 997377857 /nfs/dbraw/zinc/37/78/57/997377857.db2.gz COPNVZKYAOBTKM-TZIWHRDSSA-N 1 2 361.445 2.913 20 30 FFEDLO COc1cccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)c1 ZINC001084793989 997377871 /nfs/dbraw/zinc/37/78/71/997377871.db2.gz COPNVZKYAOBTKM-TZIWHRDSSA-N 1 2 361.445 2.913 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccccc3)[C@@H]2C1 ZINC001084793883 997398320 /nfs/dbraw/zinc/39/83/20/997398320.db2.gz XSSYBDUPXYDNGH-TZIWHRDSSA-N 1 2 361.445 2.670 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccccc3)[C@@H]2C1 ZINC001084793883 997398330 /nfs/dbraw/zinc/39/83/30/997398330.db2.gz XSSYBDUPXYDNGH-TZIWHRDSSA-N 1 2 361.445 2.670 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3cnc(C)nc3)C[C@H]21)c1ccccc1 ZINC001084847443 997632114 /nfs/dbraw/zinc/63/21/14/997632114.db2.gz VYYJMHOBIGKFQB-QHAWAJNXSA-N 1 2 362.477 2.788 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3cnc(C)nc3)C[C@H]21)c1ccccc1 ZINC001084847443 997632125 /nfs/dbraw/zinc/63/21/25/997632125.db2.gz VYYJMHOBIGKFQB-QHAWAJNXSA-N 1 2 362.477 2.788 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3snnc3C)C[C@H]21)c1ccccc1 ZINC001084847410 997632916 /nfs/dbraw/zinc/63/29/16/997632916.db2.gz UXTRNKLHECFVMT-KZNAEPCWSA-N 1 2 368.506 2.849 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3snnc3C)C[C@H]21)c1ccccc1 ZINC001084847410 997632919 /nfs/dbraw/zinc/63/29/19/997632919.db2.gz UXTRNKLHECFVMT-KZNAEPCWSA-N 1 2 368.506 2.849 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CCCOC2)C3)c1 ZINC001096561320 1016143623 /nfs/dbraw/zinc/14/36/23/1016143623.db2.gz LQODAVOXDKMGSB-RKOGWWSCSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CCCOC2)C3)c1 ZINC001096561320 1016143628 /nfs/dbraw/zinc/14/36/28/1016143628.db2.gz LQODAVOXDKMGSB-RKOGWWSCSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CCCOC2)C3)c(F)c1 ZINC001096561707 1016146603 /nfs/dbraw/zinc/14/66/03/1016146603.db2.gz QOCCDXPGSKMYFH-BEKAIBRUSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CCCOC2)C3)c(F)c1 ZINC001096561707 1016146607 /nfs/dbraw/zinc/14/66/07/1016146607.db2.gz QOCCDXPGSKMYFH-BEKAIBRUSA-N 1 2 371.456 2.736 20 30 FFEDLO Cc1nc(N2CCN(C(=O)Nc3ccc(C4CC4)c(C#N)c3)CC2)cc[nH+]1 ZINC000881122360 1016151806 /nfs/dbraw/zinc/15/18/06/1016151806.db2.gz BVPLGTZXVWUFHD-UHFFFAOYSA-N 1 2 362.437 2.888 20 30 FFEDLO N#Cc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)ccc1C1CC1 ZINC000881123066 1016153469 /nfs/dbraw/zinc/15/34/69/1016153469.db2.gz QMKSHBYCTRSQIM-GOSISDBHSA-N 1 2 354.454 2.764 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)c(C#N)c1C ZINC000844365481 997838292 /nfs/dbraw/zinc/83/82/92/997838292.db2.gz GGIGWRMLZMUVES-KRWDZBQOSA-N 1 2 368.462 2.712 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c(C#N)c1C ZINC000844365481 997838306 /nfs/dbraw/zinc/83/83/06/997838306.db2.gz GGIGWRMLZMUVES-KRWDZBQOSA-N 1 2 368.462 2.712 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC2(C1)CC(Nc1cc[nH+]c(C)n1)C2 ZINC001056544184 1016169592 /nfs/dbraw/zinc/16/95/92/1016169592.db2.gz PNQMPHFQWCQQAK-YLUCTKQLSA-N 1 2 370.497 2.996 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]21 ZINC001056672401 1016183000 /nfs/dbraw/zinc/18/30/00/1016183000.db2.gz NPUUWOKDXDZJOV-BVIKNXMNSA-N 1 2 370.497 2.565 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]21 ZINC001056672401 1016183004 /nfs/dbraw/zinc/18/30/04/1016183004.db2.gz NPUUWOKDXDZJOV-BVIKNXMNSA-N 1 2 370.497 2.565 20 30 FFEDLO O=C(C(F)C(F)(F)F)N1CC[C@H]2CC[N@H+](CCC(F)(F)F)[C@H]2C1 ZINC001084945729 998262500 /nfs/dbraw/zinc/26/25/00/998262500.db2.gz PPQGHBYAUVHPCK-KXUCPTDWSA-N 1 2 350.278 2.762 20 30 FFEDLO O=C(C(F)C(F)(F)F)N1CC[C@H]2CC[N@@H+](CCC(F)(F)F)[C@H]2C1 ZINC001084945729 998262512 /nfs/dbraw/zinc/26/25/12/998262512.db2.gz PPQGHBYAUVHPCK-KXUCPTDWSA-N 1 2 350.278 2.762 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C(F)C(F)(F)F)C[C@@H]32)c1 ZINC001084946377 998264140 /nfs/dbraw/zinc/26/41/40/998264140.db2.gz GHLJCOWMAKEYFU-PMPSAXMXSA-N 1 2 369.362 2.881 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C(F)C(F)(F)F)C[C@@H]32)c1 ZINC001084946377 998264154 /nfs/dbraw/zinc/26/41/54/998264154.db2.gz GHLJCOWMAKEYFU-PMPSAXMXSA-N 1 2 369.362 2.881 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3sc4nccn4c3C)C[C@@H]21 ZINC001084960388 998349233 /nfs/dbraw/zinc/34/92/33/998349233.db2.gz UFAMIYVNPFCZKX-KGLIPLIRSA-N 1 2 364.902 2.993 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3sc4nccn4c3C)C[C@@H]21 ZINC001084960388 998349245 /nfs/dbraw/zinc/34/92/45/998349245.db2.gz UFAMIYVNPFCZKX-KGLIPLIRSA-N 1 2 364.902 2.993 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ncc(C2CC2)o1 ZINC001049740011 1016227651 /nfs/dbraw/zinc/22/76/51/1016227651.db2.gz IMLMODDIAYPIEY-BDXSIMOUSA-N 1 2 371.481 2.708 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ncc(C2CC2)o1 ZINC001049740011 1016227659 /nfs/dbraw/zinc/22/76/59/1016227659.db2.gz IMLMODDIAYPIEY-BDXSIMOUSA-N 1 2 371.481 2.708 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4nc(CC5CC5)no4)[C@H]3C2)C1 ZINC001085027119 998712911 /nfs/dbraw/zinc/71/29/11/998712911.db2.gz MWOSKZIAVJUCAF-SJORKVTESA-N 1 2 370.497 2.801 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nc(CC5CC5)no4)[C@H]3C2)C1 ZINC001085027119 998712914 /nfs/dbraw/zinc/71/29/14/998712914.db2.gz MWOSKZIAVJUCAF-SJORKVTESA-N 1 2 370.497 2.801 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000733306490 998954222 /nfs/dbraw/zinc/95/42/22/998954222.db2.gz KHJKJFOAGUPSJZ-CYBMUJFWSA-N 1 2 355.394 2.562 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001000196404 1016265701 /nfs/dbraw/zinc/26/57/01/1016265701.db2.gz CNFQTCDOTDHJAK-JHNDHUHGSA-N 1 2 370.497 2.680 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[C@H]3CCC)CC2)C1 ZINC001065713507 999125145 /nfs/dbraw/zinc/12/51/45/999125145.db2.gz UYZCKWIGSULBET-CEXWTWQISA-N 1 2 361.530 2.524 20 30 FFEDLO C#CCOc1ccccc1C[NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000734159986 999217218 /nfs/dbraw/zinc/21/72/18/999217218.db2.gz TUXANOUUTUVGOC-HXUWFJFHSA-N 1 2 352.409 2.947 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@H]2CCCN(c3cc(C)ccc3F)C2=O)cc1 ZINC000735669586 999471143 /nfs/dbraw/zinc/47/11/43/999471143.db2.gz QVGCNIPOYALAMM-SFHVURJKSA-N 1 2 371.412 2.975 20 30 FFEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085718842 999613595 /nfs/dbraw/zinc/61/35/95/999613595.db2.gz BXCVFMPCNNPMTF-QFUCXCTJSA-N 1 2 371.456 2.689 20 30 FFEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085718842 999613597 /nfs/dbraw/zinc/61/35/97/999613597.db2.gz BXCVFMPCNNPMTF-QFUCXCTJSA-N 1 2 371.456 2.689 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC001085869328 999666561 /nfs/dbraw/zinc/66/65/61/999666561.db2.gz NTJPTHSZVQOQQJ-FHWLQOOXSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(F)cc(F)c1 ZINC001085869328 999666562 /nfs/dbraw/zinc/66/65/62/999666562.db2.gz NTJPTHSZVQOQQJ-FHWLQOOXSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OCC3CC3)nc1)C2 ZINC001096605639 1016342715 /nfs/dbraw/zinc/34/27/15/1016342715.db2.gz XVYVHRMWOUAJCS-IKGGRYGDSA-N 1 2 361.873 2.958 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OCC3CC3)nc1)C2 ZINC001096605639 1016342723 /nfs/dbraw/zinc/34/27/23/1016342723.db2.gz XVYVHRMWOUAJCS-IKGGRYGDSA-N 1 2 361.873 2.958 20 30 FFEDLO N#Cc1ccc(COC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000741350448 999723318 /nfs/dbraw/zinc/72/33/18/999723318.db2.gz CUGZZXWYGNTFQT-FQEVSTJZSA-N 1 2 350.418 2.893 20 30 FFEDLO N#Cc1ccc(COC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000741350448 999723321 /nfs/dbraw/zinc/72/33/21/999723321.db2.gz CUGZZXWYGNTFQT-FQEVSTJZSA-N 1 2 350.418 2.893 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC000745079075 999893566 /nfs/dbraw/zinc/89/35/66/999893566.db2.gz JHHREMBLNYTVFO-FUHWJXTLSA-N 1 2 357.454 2.658 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC000745079075 999893569 /nfs/dbraw/zinc/89/35/69/999893569.db2.gz JHHREMBLNYTVFO-FUHWJXTLSA-N 1 2 357.454 2.658 20 30 FFEDLO N#Cc1c(N)c(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)ccc1F ZINC001169316862 1000038290 /nfs/dbraw/zinc/03/82/90/1000038290.db2.gz LNZWFIDVOHGHNV-UHFFFAOYSA-N 1 2 366.312 2.626 20 30 FFEDLO CSc1nc(C[N@@H+]2CCC[C@]23CCN(CC(C)C)C3=O)ccc1C#N ZINC001276131912 1016386069 /nfs/dbraw/zinc/38/60/69/1016386069.db2.gz YQRIEWCTOHAXND-LJQANCHMSA-N 1 2 358.511 2.898 20 30 FFEDLO CSc1nc(C[N@H+]2CCC[C@]23CCN(CC(C)C)C3=O)ccc1C#N ZINC001276131912 1016386072 /nfs/dbraw/zinc/38/60/72/1016386072.db2.gz YQRIEWCTOHAXND-LJQANCHMSA-N 1 2 358.511 2.898 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1CC ZINC001109043780 1000154897 /nfs/dbraw/zinc/15/48/97/1000154897.db2.gz XIAOORSFSWEWCW-NEWSRXKRSA-N 1 2 355.482 2.875 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1CC ZINC001109043780 1000154898 /nfs/dbraw/zinc/15/48/98/1000154898.db2.gz XIAOORSFSWEWCW-NEWSRXKRSA-N 1 2 355.482 2.875 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)c1cccs1 ZINC001109058349 1000160853 /nfs/dbraw/zinc/16/08/53/1000160853.db2.gz FQYWCAFBQRAMJU-WCVJEAGWSA-N 1 2 361.511 2.613 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)c1cccs1 ZINC001109058349 1000160854 /nfs/dbraw/zinc/16/08/54/1000160854.db2.gz FQYWCAFBQRAMJU-WCVJEAGWSA-N 1 2 361.511 2.613 20 30 FFEDLO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)C)C2 ZINC001109251058 1000201874 /nfs/dbraw/zinc/20/18/74/1000201874.db2.gz YQRKVZZCJWQLMH-JYBIWHBTSA-N 1 2 367.493 2.703 20 30 FFEDLO Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)C)C2 ZINC001109251058 1000201876 /nfs/dbraw/zinc/20/18/76/1000201876.db2.gz YQRKVZZCJWQLMH-JYBIWHBTSA-N 1 2 367.493 2.703 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109256230 1000203477 /nfs/dbraw/zinc/20/34/77/1000203477.db2.gz MFODBHXUDRWXEQ-NQYYFHDYSA-N 1 2 367.493 2.785 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109256230 1000203478 /nfs/dbraw/zinc/20/34/78/1000203478.db2.gz MFODBHXUDRWXEQ-NQYYFHDYSA-N 1 2 367.493 2.785 20 30 FFEDLO Cc1oc(-c2ccco2)nc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109257946 1000203838 /nfs/dbraw/zinc/20/38/38/1000203838.db2.gz UYLXNPPJTAGKJU-RYRKJORJSA-N 1 2 365.433 2.878 20 30 FFEDLO Cc1oc(-c2ccco2)nc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109257946 1000203842 /nfs/dbraw/zinc/20/38/42/1000203842.db2.gz UYLXNPPJTAGKJU-RYRKJORJSA-N 1 2 365.433 2.878 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2CCCC[C@H]2Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001091293338 1000379021 /nfs/dbraw/zinc/37/90/21/1000379021.db2.gz XZGGFCCDALFTQB-HZPDHXFCSA-N 1 2 368.485 2.949 20 30 FFEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000846852872 1000459120 /nfs/dbraw/zinc/45/91/20/1000459120.db2.gz YXQNLTZETFMPGV-LJQANCHMSA-N 1 2 351.385 2.744 20 30 FFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000769963448 1000636521 /nfs/dbraw/zinc/63/65/21/1000636521.db2.gz TUULVBBREDHZAJ-CQSZACIVSA-N 1 2 353.397 2.970 20 30 FFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000769963448 1000636523 /nfs/dbraw/zinc/63/65/23/1000636523.db2.gz TUULVBBREDHZAJ-CQSZACIVSA-N 1 2 353.397 2.970 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1c(C)n[nH]c1C)C2 ZINC001110118967 1000681692 /nfs/dbraw/zinc/68/16/92/1000681692.db2.gz QZZUOKVRICBYEY-NVULLMEXSA-N 1 2 350.894 2.679 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1c(C)n[nH]c1C)C2 ZINC001110118967 1000681694 /nfs/dbraw/zinc/68/16/94/1000681694.db2.gz QZZUOKVRICBYEY-NVULLMEXSA-N 1 2 350.894 2.679 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001091564462 1000687853 /nfs/dbraw/zinc/68/78/53/1000687853.db2.gz DGRILAVAUVOPDY-RZQQEMMASA-N 1 2 360.502 2.932 20 30 FFEDLO C[C@H](NC(=O)C(=O)/C=C/c1ccc(F)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC001146577055 1000705235 /nfs/dbraw/zinc/70/52/35/1000705235.db2.gz WEHGWNSCYCHGEL-FSNWXROXSA-N 1 2 374.456 2.558 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)CCC(C)C ZINC001109605787 1000716095 /nfs/dbraw/zinc/71/60/95/1000716095.db2.gz QWCGXZFGGXJUAR-BDXSIMOUSA-N 1 2 363.546 2.861 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)CCC(C)C ZINC001109605787 1000716099 /nfs/dbraw/zinc/71/60/99/1000716099.db2.gz QWCGXZFGGXJUAR-BDXSIMOUSA-N 1 2 363.546 2.861 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(c2ccccc2)C1=O ZINC001109657975 1000797031 /nfs/dbraw/zinc/79/70/31/1000797031.db2.gz MJAPHORWZBNDRQ-FUMNGEBKSA-N 1 2 367.493 2.870 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(c2ccccc2)C1=O ZINC001109657975 1000797036 /nfs/dbraw/zinc/79/70/36/1000797036.db2.gz MJAPHORWZBNDRQ-FUMNGEBKSA-N 1 2 367.493 2.870 20 30 FFEDLO Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001091650149 1000947516 /nfs/dbraw/zinc/94/75/16/1000947516.db2.gz LNQILCKWJFPWCG-LSDHHAIUSA-N 1 2 369.444 2.760 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)[C@H](OCC)C1 ZINC001091662775 1000976393 /nfs/dbraw/zinc/97/63/93/1000976393.db2.gz NJHTWQFNPSMSFG-IAGOWNOFSA-N 1 2 358.486 2.904 20 30 FFEDLO COCCC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109941386 1001180714 /nfs/dbraw/zinc/18/07/14/1001180714.db2.gz WMWUDIACDBLALT-JBCDFXQESA-N 1 2 373.472 2.982 20 30 FFEDLO COCCC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109941386 1001180717 /nfs/dbraw/zinc/18/07/17/1001180717.db2.gz WMWUDIACDBLALT-JBCDFXQESA-N 1 2 373.472 2.982 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CNc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001109983851 1001242158 /nfs/dbraw/zinc/24/21/58/1001242158.db2.gz AFQJNHFXECHBIB-ZACQAIPSSA-N 1 2 358.486 2.806 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1CC ZINC001091774137 1001798593 /nfs/dbraw/zinc/79/85/93/1001798593.db2.gz XCFFLFUAYVPHGV-RZQQEMMASA-N 1 2 360.502 2.709 20 30 FFEDLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CSCC#N)C2 ZINC001110301013 1001880604 /nfs/dbraw/zinc/88/06/04/1001880604.db2.gz WPRCIMUTFDBYEM-XNISGKROSA-N 1 2 370.478 2.867 20 30 FFEDLO C[C@@H](c1nc2ccccc2o1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CSCC#N)C2 ZINC001110301013 1001880621 /nfs/dbraw/zinc/88/06/21/1001880621.db2.gz WPRCIMUTFDBYEM-XNISGKROSA-N 1 2 370.478 2.867 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001096790121 1016545292 /nfs/dbraw/zinc/54/52/92/1016545292.db2.gz WKCHQQKCVWXAIW-NXHRZFHOSA-N 1 2 368.412 2.838 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001096790121 1016545305 /nfs/dbraw/zinc/54/53/05/1016545305.db2.gz WKCHQQKCVWXAIW-NXHRZFHOSA-N 1 2 368.412 2.838 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)C[C@H]2C1 ZINC001091866999 1002025703 /nfs/dbraw/zinc/02/57/03/1002025703.db2.gz MNNTXZNJAMAYQT-MOPGFXCFSA-N 1 2 354.498 2.880 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(-n3ccnc3)cc2C)n1 ZINC000789323542 1002045219 /nfs/dbraw/zinc/04/52/19/1002045219.db2.gz LZIKCLLUDNUOPM-UHFFFAOYSA-N 1 2 363.465 2.659 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(-n3ccnc3)cc2C)n1 ZINC000789323542 1002045225 /nfs/dbraw/zinc/04/52/25/1002045225.db2.gz LZIKCLLUDNUOPM-UHFFFAOYSA-N 1 2 363.465 2.659 20 30 FFEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1cnc3ccc(Cl)nn13)CC2 ZINC001276224233 1016565886 /nfs/dbraw/zinc/56/58/86/1016565886.db2.gz CSIAAPFEUIKVFP-OAHLLOKOSA-N 1 2 373.888 2.677 20 30 FFEDLO CC(C)n1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)n1 ZINC001097963549 1016580278 /nfs/dbraw/zinc/58/02/78/1016580278.db2.gz OLSQYWMIRZNBBZ-RLLQIKCJSA-N 1 2 363.465 2.871 20 30 FFEDLO CC(C)n1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)n1 ZINC001097963549 1016580291 /nfs/dbraw/zinc/58/02/91/1016580291.db2.gz OLSQYWMIRZNBBZ-RLLQIKCJSA-N 1 2 363.465 2.871 20 30 FFEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cn1ccc(-c3ccc(C#N)cc3)n1)C[C@@H](C)O2 ZINC000790408275 1002364724 /nfs/dbraw/zinc/36/47/24/1002364724.db2.gz UARDFCJUYZAINX-GQIGUUNPSA-N 1 2 352.438 2.648 20 30 FFEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cn1ccc(-c3ccc(C#N)cc3)n1)C[C@@H](C)O2 ZINC000790408275 1002364736 /nfs/dbraw/zinc/36/47/36/1002364736.db2.gz UARDFCJUYZAINX-GQIGUUNPSA-N 1 2 352.438 2.648 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CCOCC2 ZINC001183841344 1002406561 /nfs/dbraw/zinc/40/65/61/1002406561.db2.gz MFWTUARGDRYWGF-MOPGFXCFSA-N 1 2 353.466 2.598 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CCOCC2 ZINC001183841344 1002406569 /nfs/dbraw/zinc/40/65/69/1002406569.db2.gz MFWTUARGDRYWGF-MOPGFXCFSA-N 1 2 353.466 2.598 20 30 FFEDLO Cc1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)s1 ZINC001096869168 1016658177 /nfs/dbraw/zinc/65/81/77/1016658177.db2.gz TXTQMTRLTVRWAP-DFBGVHRSSA-N 1 2 358.492 2.920 20 30 FFEDLO Cc1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)s1 ZINC001096869168 1016658180 /nfs/dbraw/zinc/65/81/80/1016658180.db2.gz TXTQMTRLTVRWAP-DFBGVHRSSA-N 1 2 358.492 2.920 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)c1ccnc(F)c1 ZINC001096872062 1016662637 /nfs/dbraw/zinc/66/26/37/1016662637.db2.gz VNTIJKYILBTWLS-QRVBRYPASA-N 1 2 367.399 2.747 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)c1ccnc(F)c1 ZINC001096872062 1016662644 /nfs/dbraw/zinc/66/26/44/1016662644.db2.gz VNTIJKYILBTWLS-QRVBRYPASA-N 1 2 367.399 2.747 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001086599816 1002739295 /nfs/dbraw/zinc/73/92/95/1002739295.db2.gz KQFVXVMQIBAPCL-PHUPPTAPSA-N 1 2 372.896 2.747 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001086599816 1002739302 /nfs/dbraw/zinc/73/93/02/1002739302.db2.gz KQFVXVMQIBAPCL-PHUPPTAPSA-N 1 2 372.896 2.747 20 30 FFEDLO N#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001086601860 1002787232 /nfs/dbraw/zinc/78/72/32/1002787232.db2.gz SPFNDCIBZBTGPF-LEWJYISDSA-N 1 2 371.444 2.594 20 30 FFEDLO C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)Nc1c(F)cc(C#N)cc1Cl ZINC001185234581 1002898567 /nfs/dbraw/zinc/89/85/67/1002898567.db2.gz ZJSFCINSXWXWLA-INIZCTEOSA-N 1 2 361.804 2.782 20 30 FFEDLO C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)Nc1c(F)cc(C#N)cc1Cl ZINC001185234581 1002898580 /nfs/dbraw/zinc/89/85/80/1002898580.db2.gz ZJSFCINSXWXWLA-INIZCTEOSA-N 1 2 361.804 2.782 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC001001253756 1016721912 /nfs/dbraw/zinc/72/19/12/1016721912.db2.gz BHVAOKCFHMSMAB-HKUYNNGSSA-N 1 2 359.470 2.521 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC001001253756 1016721920 /nfs/dbraw/zinc/72/19/20/1016721920.db2.gz BHVAOKCFHMSMAB-HKUYNNGSSA-N 1 2 359.470 2.521 20 30 FFEDLO C=CCCOCC(=O)N1C[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC001092652081 1003300708 /nfs/dbraw/zinc/30/07/08/1003300708.db2.gz BDDYGMPCAXURCL-RHSMWYFYSA-N 1 2 358.486 2.762 20 30 FFEDLO N#Cc1c(=O)n(C[N@@H+]2CC[C@H](COc3ccccc3)C2)cc2c1CCCC2 ZINC000793510364 1003392302 /nfs/dbraw/zinc/39/23/02/1003392302.db2.gz AVOQTAATICHDTH-KRWDZBQOSA-N 1 2 363.461 2.957 20 30 FFEDLO N#Cc1c(=O)n(C[N@H+]2CC[C@H](COc3ccccc3)C2)cc2c1CCCC2 ZINC000793510364 1003392313 /nfs/dbraw/zinc/39/23/13/1003392313.db2.gz AVOQTAATICHDTH-KRWDZBQOSA-N 1 2 363.461 2.957 20 30 FFEDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793516300 1003395545 /nfs/dbraw/zinc/39/55/45/1003395545.db2.gz MSCBWRRUMKCWLH-UHFFFAOYSA-N 1 2 366.421 2.639 20 30 FFEDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793516300 1003395557 /nfs/dbraw/zinc/39/55/57/1003395557.db2.gz MSCBWRRUMKCWLH-UHFFFAOYSA-N 1 2 366.421 2.639 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3[nH]ccc3c1)C2 ZINC001095576949 1016787489 /nfs/dbraw/zinc/78/74/89/1016787489.db2.gz OWIPLFFPFOFZFA-AABGKKOBSA-N 1 2 371.444 2.921 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3[nH]ccc3c1)C2 ZINC001095576949 1016787500 /nfs/dbraw/zinc/78/75/00/1016787500.db2.gz OWIPLFFPFOFZFA-AABGKKOBSA-N 1 2 371.444 2.921 20 30 FFEDLO Cc1nscc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001096977871 1016797346 /nfs/dbraw/zinc/79/73/46/1016797346.db2.gz DZMJJLRQTLMJGI-LYRGGWFBSA-N 1 2 358.492 2.920 20 30 FFEDLO Cc1nscc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001096977871 1016797359 /nfs/dbraw/zinc/79/73/59/1016797359.db2.gz DZMJJLRQTLMJGI-LYRGGWFBSA-N 1 2 358.492 2.920 20 30 FFEDLO CC[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@@H](C)C(=O)OC(C)(C)C ZINC001196056527 1003645648 /nfs/dbraw/zinc/64/56/48/1003645648.db2.gz LCDFUYCINBGXFF-DOTOQJQBSA-N 1 2 362.470 2.544 20 30 FFEDLO CC[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@@H](C)C(=O)OC(C)(C)C ZINC001196056527 1003645652 /nfs/dbraw/zinc/64/56/52/1003645652.db2.gz LCDFUYCINBGXFF-DOTOQJQBSA-N 1 2 362.470 2.544 20 30 FFEDLO Cc1ccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c(N(C)C)[nH+]1 ZINC000804484247 1003684927 /nfs/dbraw/zinc/68/49/27/1003684927.db2.gz WBAVHZNTJCUQAT-HNNXBMFYSA-N 1 2 367.428 2.932 20 30 FFEDLO C[N@@H+]1CCc2c(sc(NC(=S)Nc3ccccc3C#N)c2C(N)=O)C1 ZINC001196286777 1003737704 /nfs/dbraw/zinc/73/77/04/1003737704.db2.gz HNIRJAXKWHMHGL-UHFFFAOYSA-N 1 2 371.491 2.515 20 30 FFEDLO C[N@H+]1CCc2c(sc(NC(=S)Nc3ccccc3C#N)c2C(N)=O)C1 ZINC001196286777 1003737712 /nfs/dbraw/zinc/73/77/12/1003737712.db2.gz HNIRJAXKWHMHGL-UHFFFAOYSA-N 1 2 371.491 2.515 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3c2cc(F)cc3F)C[C@H]1O ZINC001196475673 1003781356 /nfs/dbraw/zinc/78/13/56/1003781356.db2.gz ZHRWCYPPAQFJPL-KZNAEPCWSA-N 1 2 364.436 2.716 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3c2cc(F)cc3F)C[C@H]1O ZINC001196475673 1003781360 /nfs/dbraw/zinc/78/13/60/1003781360.db2.gz ZHRWCYPPAQFJPL-KZNAEPCWSA-N 1 2 364.436 2.716 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@H]1O ZINC001196454261 1003790699 /nfs/dbraw/zinc/79/06/99/1003790699.db2.gz XDCVCVWWZKVIHD-JCURWCKSSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@H]1O ZINC001196454261 1003790705 /nfs/dbraw/zinc/79/07/05/1003790705.db2.gz XDCVCVWWZKVIHD-JCURWCKSSA-N 1 2 352.425 2.789 20 30 FFEDLO Cc1nscc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001096981620 1016827117 /nfs/dbraw/zinc/82/71/17/1016827117.db2.gz VGMQJXQGWPWGFW-QRQLOZEOSA-N 1 2 351.475 2.838 20 30 FFEDLO Cc1nscc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001096981620 1016827133 /nfs/dbraw/zinc/82/71/33/1016827133.db2.gz VGMQJXQGWPWGFW-QRQLOZEOSA-N 1 2 351.475 2.838 20 30 FFEDLO CCCCC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001196701031 1003918226 /nfs/dbraw/zinc/91/82/26/1003918226.db2.gz OHXRHNWELZMFRC-HMXCVIKNSA-N 1 2 356.510 2.806 20 30 FFEDLO CCCCC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001196701031 1003918233 /nfs/dbraw/zinc/91/82/33/1003918233.db2.gz OHXRHNWELZMFRC-HMXCVIKNSA-N 1 2 356.510 2.806 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)/C=C\c2ccc[nH]2)C3)c1 ZINC001110484752 1003952185 /nfs/dbraw/zinc/95/21/85/1003952185.db2.gz LSCDSAMCSQKPLZ-UFPPPSJSSA-N 1 2 364.424 2.960 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)/C=C\c2ccc[nH]2)C3)c1 ZINC001110484752 1003952195 /nfs/dbraw/zinc/95/21/95/1003952195.db2.gz LSCDSAMCSQKPLZ-UFPPPSJSSA-N 1 2 364.424 2.960 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(Br)cc3)C2)o1 ZINC001192692155 1004239834 /nfs/dbraw/zinc/23/98/34/1004239834.db2.gz TWENBKOWKGOEAI-AWEZNQCLSA-N 1 2 374.238 2.918 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(Br)cc3)C2)o1 ZINC001192692155 1004239840 /nfs/dbraw/zinc/23/98/40/1004239840.db2.gz TWENBKOWKGOEAI-AWEZNQCLSA-N 1 2 374.238 2.918 20 30 FFEDLO CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001192813848 1004285428 /nfs/dbraw/zinc/28/54/28/1004285428.db2.gz QGLZMQWIBAIFIS-KZNAEPCWSA-N 1 2 364.436 2.627 20 30 FFEDLO CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001192813848 1004285436 /nfs/dbraw/zinc/28/54/36/1004285436.db2.gz QGLZMQWIBAIFIS-KZNAEPCWSA-N 1 2 364.436 2.627 20 30 FFEDLO N#Cc1cccc(NC(=S)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC001197695807 1004325720 /nfs/dbraw/zinc/32/57/20/1004325720.db2.gz HHJWLOLDUDXIHM-UHFFFAOYSA-N 1 2 366.490 2.952 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)c2ccc(F)cc2F)C[C@H]1O ZINC001193370235 1004467690 /nfs/dbraw/zinc/46/76/90/1004467690.db2.gz RTHGHAZLZXBSOX-FGTMMUONSA-N 1 2 352.425 2.934 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)c2ccc(F)cc2F)C[C@H]1O ZINC001193370235 1004467693 /nfs/dbraw/zinc/46/76/93/1004467693.db2.gz RTHGHAZLZXBSOX-FGTMMUONSA-N 1 2 352.425 2.934 20 30 FFEDLO C#C[C@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C(C)(C)C ZINC000807880174 1004705060 /nfs/dbraw/zinc/70/50/60/1004705060.db2.gz SIMFGRXFOHPPHO-KRWDZBQOSA-N 1 2 352.438 2.690 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)c(OC)c2)C[C@H]1O ZINC001195255244 1004923904 /nfs/dbraw/zinc/92/39/04/1004923904.db2.gz PFIOBOAAXLIUJT-HZPDHXFCSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(OC)c2)C[C@H]1O ZINC001195255244 1004923908 /nfs/dbraw/zinc/92/39/08/1004923908.db2.gz PFIOBOAAXLIUJT-HZPDHXFCSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)C[C@H]1O ZINC001195255099 1004923979 /nfs/dbraw/zinc/92/39/79/1004923979.db2.gz MRRATWNEARZCGX-IAGOWNOFSA-N 1 2 350.890 2.912 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)C[C@H]1O ZINC001195255099 1004923985 /nfs/dbraw/zinc/92/39/85/1004923985.db2.gz MRRATWNEARZCGX-IAGOWNOFSA-N 1 2 350.890 2.912 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@H]1O ZINC001195483287 1004973766 /nfs/dbraw/zinc/97/37/66/1004973766.db2.gz GNPZRJNTKGZZHF-MORSLUCNSA-N 1 2 366.864 2.895 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C[C@H]1O ZINC001195483287 1004973768 /nfs/dbraw/zinc/97/37/68/1004973768.db2.gz GNPZRJNTKGZZHF-MORSLUCNSA-N 1 2 366.864 2.895 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)C[C@H]1O ZINC001195531155 1004986334 /nfs/dbraw/zinc/98/63/34/1004986334.db2.gz CFXYUAKQPUCXHO-BMGDILEWSA-N 1 2 350.890 2.912 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)C[C@H]1O ZINC001195531155 1004986338 /nfs/dbraw/zinc/98/63/38/1004986338.db2.gz CFXYUAKQPUCXHO-BMGDILEWSA-N 1 2 350.890 2.912 20 30 FFEDLO C#C[C@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001195568993 1004999297 /nfs/dbraw/zinc/99/92/97/1004999297.db2.gz UITWUPOLOCQXIR-FXAWDEMLSA-N 1 2 373.928 2.938 20 30 FFEDLO C#C[C@H]1CCCN(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001195568993 1004999299 /nfs/dbraw/zinc/99/92/99/1004999299.db2.gz UITWUPOLOCQXIR-FXAWDEMLSA-N 1 2 373.928 2.938 20 30 FFEDLO C#C[C@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)C1 ZINC001195568993 1004999304 /nfs/dbraw/zinc/99/93/04/1004999304.db2.gz UITWUPOLOCQXIR-FXAWDEMLSA-N 1 2 373.928 2.938 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]Cc2cnon2)cc1 ZINC001050261802 1016943222 /nfs/dbraw/zinc/94/32/22/1016943222.db2.gz MNUPYSMUQZNHOK-ZMYBRWDISA-N 1 2 370.453 2.518 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nocc1C ZINC001110559781 1005158147 /nfs/dbraw/zinc/15/81/47/1005158147.db2.gz LRYFIKBHOQUPAC-LMMKCTJWSA-N 1 2 361.486 2.968 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nocc1C ZINC001110559781 1005158151 /nfs/dbraw/zinc/15/81/51/1005158151.db2.gz LRYFIKBHOQUPAC-LMMKCTJWSA-N 1 2 361.486 2.968 20 30 FFEDLO N#Cc1ccc(NC(=S)NCCn2cc[nH+]c2)c(Br)c1 ZINC001201121857 1005175869 /nfs/dbraw/zinc/17/58/69/1005175869.db2.gz ZDKXERPTDXXMNM-UHFFFAOYSA-N 1 2 350.245 2.504 20 30 FFEDLO CC(C)c1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001095672067 1016961240 /nfs/dbraw/zinc/96/12/40/1016961240.db2.gz HEMVIYHYQDNACS-HOJAQTOUSA-N 1 2 362.477 2.920 20 30 FFEDLO CC(C)c1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001095672067 1016961254 /nfs/dbraw/zinc/96/12/54/1016961254.db2.gz HEMVIYHYQDNACS-HOJAQTOUSA-N 1 2 362.477 2.920 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)(C)C ZINC001488503181 1005360126 /nfs/dbraw/zinc/36/01/26/1005360126.db2.gz HZOQIZKXPCBCFM-IIAWOOMASA-N 1 2 360.502 2.763 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)(C)C ZINC001488503181 1005360127 /nfs/dbraw/zinc/36/01/27/1005360127.db2.gz HZOQIZKXPCBCFM-IIAWOOMASA-N 1 2 360.502 2.763 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C(C)(C)C)nn3)CC[C@@H]2C1 ZINC001489190659 1005427239 /nfs/dbraw/zinc/42/72/39/1005427239.db2.gz DSGSNZOLPZYNSH-SJORKVTESA-N 1 2 359.518 2.670 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H]2C[N@H+](Cc3cn(C(C)(C)C)nn3)CC[C@@H]2C1 ZINC001489190659 1005427242 /nfs/dbraw/zinc/42/72/42/1005427242.db2.gz DSGSNZOLPZYNSH-SJORKVTESA-N 1 2 359.518 2.670 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3nnc(CC)[nH]3)CC[C@@H]2C1 ZINC001489199866 1005429699 /nfs/dbraw/zinc/42/96/99/1005429699.db2.gz GEEFAGQDNNILQF-KSZLIROESA-N 1 2 371.529 2.792 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3nnc(CC)[nH]3)CC[C@@H]2C1 ZINC001489199866 1005429701 /nfs/dbraw/zinc/42/97/01/1005429701.db2.gz GEEFAGQDNNILQF-KSZLIROESA-N 1 2 371.529 2.792 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccccc2C(C)(C)C)[C@@H]1C ZINC001489257659 1005441005 /nfs/dbraw/zinc/44/10/05/1005441005.db2.gz RUFNTAVSWKIGDZ-INMHGKMJSA-N 1 2 370.497 2.661 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(C)(C)C)[C@@H]1C ZINC001489257659 1005441007 /nfs/dbraw/zinc/44/10/07/1005441007.db2.gz RUFNTAVSWKIGDZ-INMHGKMJSA-N 1 2 370.497 2.661 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2cccs2)[C@@H]1C ZINC001489283352 1005448086 /nfs/dbraw/zinc/44/80/86/1005448086.db2.gz ZOALCEQUVMNKAQ-ZNMIVQPWSA-N 1 2 363.527 2.717 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)N[C@@H](C)c2cccs2)[C@@H]1C ZINC001489283352 1005448087 /nfs/dbraw/zinc/44/80/87/1005448087.db2.gz ZOALCEQUVMNKAQ-ZNMIVQPWSA-N 1 2 363.527 2.717 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCCc1cccc(F)c1)C2 ZINC001110634503 1005907745 /nfs/dbraw/zinc/90/77/45/1005907745.db2.gz JSQBMUNDSMYKJP-KURKYZTESA-N 1 2 366.864 2.859 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCCc1cccc(F)c1)C2 ZINC001110634503 1005907747 /nfs/dbraw/zinc/90/77/47/1005907747.db2.gz JSQBMUNDSMYKJP-KURKYZTESA-N 1 2 366.864 2.859 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001187226680 1005965697 /nfs/dbraw/zinc/96/56/97/1005965697.db2.gz YCLCHQISVMHSGH-YQQAZPJKSA-N 1 2 363.527 2.719 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001187226680 1005965700 /nfs/dbraw/zinc/96/57/00/1005965700.db2.gz YCLCHQISVMHSGH-YQQAZPJKSA-N 1 2 363.527 2.719 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2noc3c2CCCC3)CCC1 ZINC001110651214 1006079188 /nfs/dbraw/zinc/07/91/88/1006079188.db2.gz SQPZQLODNBVEIM-SUMDDJOVSA-N 1 2 367.493 2.969 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2noc3c2CCCC3)CCC1 ZINC001110651214 1006079195 /nfs/dbraw/zinc/07/91/95/1006079195.db2.gz SQPZQLODNBVEIM-SUMDDJOVSA-N 1 2 367.493 2.969 20 30 FFEDLO CSC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110393555 1006085823 /nfs/dbraw/zinc/08/58/23/1006085823.db2.gz MRCFJOHBKZRJON-XFHKCVFHSA-N 1 2 361.486 2.918 20 30 FFEDLO CSC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110393555 1006085834 /nfs/dbraw/zinc/08/58/34/1006085834.db2.gz MRCFJOHBKZRJON-XFHKCVFHSA-N 1 2 361.486 2.918 20 30 FFEDLO O=C(CC#Cc1ccccc1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccns1 ZINC001111442619 1017022418 /nfs/dbraw/zinc/02/24/18/1017022418.db2.gz ZXHDGMZBDWQSTJ-QRQLOZEOSA-N 1 2 351.475 2.806 20 30 FFEDLO O=C(CC#Cc1ccccc1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccns1 ZINC001111442619 1017022431 /nfs/dbraw/zinc/02/24/31/1017022431.db2.gz ZXHDGMZBDWQSTJ-QRQLOZEOSA-N 1 2 351.475 2.806 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001097095653 1017029147 /nfs/dbraw/zinc/02/91/47/1017029147.db2.gz BJYGSYSHTWQBOB-MTSZKFMLSA-N 1 2 361.511 2.654 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001097095653 1017029161 /nfs/dbraw/zinc/02/91/61/1017029161.db2.gz BJYGSYSHTWQBOB-MTSZKFMLSA-N 1 2 361.511 2.654 20 30 FFEDLO Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC(C)(C)C)[C@@H]3C2)cc1 ZINC001187833822 1006289213 /nfs/dbraw/zinc/28/92/13/1006289213.db2.gz UONMPZMEOQVWCP-PKOBYXMFSA-N 1 2 367.493 2.516 20 30 FFEDLO Cc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCN(C(=O)C#CC(C)(C)C)[C@@H]3C2)cc1 ZINC001187833822 1006289222 /nfs/dbraw/zinc/28/92/22/1006289222.db2.gz UONMPZMEOQVWCP-PKOBYXMFSA-N 1 2 367.493 2.516 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccc(F)cc3)C[C@H]21 ZINC001188080783 1006400803 /nfs/dbraw/zinc/40/08/03/1006400803.db2.gz KJIAOZSHPZZGRP-MAUKXSAKSA-N 1 2 359.445 2.653 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccc(F)cc3)C[C@H]21 ZINC001188080783 1006400805 /nfs/dbraw/zinc/40/08/05/1006400805.db2.gz KJIAOZSHPZZGRP-MAUKXSAKSA-N 1 2 359.445 2.653 20 30 FFEDLO Cc1cc(C#N)cnc1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000815699616 1006754109 /nfs/dbraw/zinc/75/41/09/1006754109.db2.gz BUERKCYCYWRSEE-UHFFFAOYSA-N 1 2 363.465 2.727 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3nnc(-c4ccco4)o3)C[C@H]21 ZINC001188883924 1006765259 /nfs/dbraw/zinc/76/52/59/1006765259.db2.gz BLRHIRUOUAWVPD-OWCLPIDISA-N 1 2 370.453 2.965 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(-c4ccco4)o3)C[C@H]21 ZINC001188883924 1006765271 /nfs/dbraw/zinc/76/52/71/1006765271.db2.gz BLRHIRUOUAWVPD-OWCLPIDISA-N 1 2 370.453 2.965 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001188897373 1006792587 /nfs/dbraw/zinc/79/25/87/1006792587.db2.gz VTWMWOUVIPZNAR-ABSDTBQOSA-N 1 2 356.514 2.854 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001188897373 1006792600 /nfs/dbraw/zinc/79/26/00/1006792600.db2.gz VTWMWOUVIPZNAR-ABSDTBQOSA-N 1 2 356.514 2.854 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001490812556 1006984703 /nfs/dbraw/zinc/98/47/03/1006984703.db2.gz WYXVRWWMWGRPDG-ZACQAIPSSA-N 1 2 370.497 2.727 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]3C[N@@H+]([C@H](C)c4nncn4C)C[C@H]32)CCCCC1 ZINC001189406460 1007066838 /nfs/dbraw/zinc/06/68/38/1007066838.db2.gz RRLXKJOZDXDLFR-FGTMMUONSA-N 1 2 371.529 2.935 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]3C[N@H+]([C@H](C)c4nncn4C)C[C@H]32)CCCCC1 ZINC001189406460 1007066852 /nfs/dbraw/zinc/06/68/52/1007066852.db2.gz RRLXKJOZDXDLFR-FGTMMUONSA-N 1 2 371.529 2.935 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccn(C)n4)C[C@H]32)CCCCC1 ZINC001189406216 1007067025 /nfs/dbraw/zinc/06/70/25/1007067025.db2.gz KEPAQWPYEVLONA-PKOBYXMFSA-N 1 2 356.514 2.979 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccn(C)n4)C[C@H]32)CCCCC1 ZINC001189406216 1007067041 /nfs/dbraw/zinc/06/70/41/1007067041.db2.gz KEPAQWPYEVLONA-PKOBYXMFSA-N 1 2 356.514 2.979 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000884156833 1007275167 /nfs/dbraw/zinc/27/51/67/1007275167.db2.gz NDKSQSOMHRCATC-AWEZNQCLSA-N 1 2 370.371 2.647 20 30 FFEDLO CSc1ccc(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)cc1C#N ZINC000884643487 1007499701 /nfs/dbraw/zinc/49/97/01/1007499701.db2.gz JBEMVFPIELVAEX-DZGCQCFKSA-N 1 2 369.494 2.889 20 30 FFEDLO CSc1ccc(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)cc1C#N ZINC000884643487 1007499711 /nfs/dbraw/zinc/49/97/11/1007499711.db2.gz JBEMVFPIELVAEX-DZGCQCFKSA-N 1 2 369.494 2.889 20 30 FFEDLO C=C[C@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21)c1ccccc1 ZINC001190282454 1007570632 /nfs/dbraw/zinc/57/06/32/1007570632.db2.gz RHLCJEBWINCWTA-YZGWKJHDSA-N 1 2 362.477 2.869 20 30 FFEDLO C=C[C@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21)c1ccccc1 ZINC001190282454 1007570639 /nfs/dbraw/zinc/57/06/39/1007570639.db2.gz RHLCJEBWINCWTA-YZGWKJHDSA-N 1 2 362.477 2.869 20 30 FFEDLO N#Cc1cccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1F ZINC001190537013 1007685089 /nfs/dbraw/zinc/68/50/89/1007685089.db2.gz FUIUYEBBJVRVTH-UHFFFAOYSA-N 1 2 353.397 2.534 20 30 FFEDLO CCc1ccc(O[C@@H](C)C(=O)N2CC[NH+](CC3(CC#N)CC3)CC2)cc1 ZINC001190996161 1007876696 /nfs/dbraw/zinc/87/66/96/1007876696.db2.gz VMJHSEVOFKRQHC-KRWDZBQOSA-N 1 2 355.482 2.854 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000819530901 1008163852 /nfs/dbraw/zinc/16/38/52/1008163852.db2.gz LUIAFDJGIVGOAJ-MRXNPFEDSA-N 1 2 365.518 2.742 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2csc(C3CC3)n2)C[C@H]1C ZINC001206485892 1032307048 /nfs/dbraw/zinc/30/70/48/1032307048.db2.gz OKVOZXVSZJZVMP-JKIFEVAISA-N 1 2 363.527 2.938 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2csc(C3CC3)n2)C[C@H]1C ZINC001206485892 1032307055 /nfs/dbraw/zinc/30/70/55/1032307055.db2.gz OKVOZXVSZJZVMP-JKIFEVAISA-N 1 2 363.527 2.938 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cc(F)ccc2C)C[C@H]1C ZINC001206510032 1032320034 /nfs/dbraw/zinc/32/00/34/1032320034.db2.gz WPZGQYWMTXLDFQ-IIDMSEBBSA-N 1 2 361.461 2.864 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc(F)ccc2C)C[C@H]1C ZINC001206510032 1032320042 /nfs/dbraw/zinc/32/00/42/1032320042.db2.gz WPZGQYWMTXLDFQ-IIDMSEBBSA-N 1 2 361.461 2.864 20 30 FFEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(Br)cn1)CC2 ZINC001206510911 1032321061 /nfs/dbraw/zinc/32/10/61/1032321061.db2.gz QFWVHUYUNDDLPP-UHFFFAOYSA-N 1 2 364.287 2.987 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3)s2)C[C@H]1C ZINC001206645065 1032372975 /nfs/dbraw/zinc/37/29/75/1032372975.db2.gz AXKWYLBSAXHHBQ-IIAWOOMASA-N 1 2 354.479 2.906 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3)s2)C[C@H]1C ZINC001206645065 1032372988 /nfs/dbraw/zinc/37/29/88/1032372988.db2.gz AXKWYLBSAXHHBQ-IIAWOOMASA-N 1 2 354.479 2.906 20 30 FFEDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)C#Cc2ccc(F)cc2F)CC1 ZINC001178570048 1009045925 /nfs/dbraw/zinc/04/59/25/1009045925.db2.gz OTRNATZZSOCWDD-UHFFFAOYSA-N 1 2 355.388 2.785 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C(C)(C)C)C[C@H]1C ZINC001206662482 1032379818 /nfs/dbraw/zinc/37/98/18/1032379818.db2.gz LCNOHKQLUQLVHM-IIDMSEBBSA-N 1 2 370.497 2.519 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C(C)(C)C)C[C@H]1C ZINC001206662482 1032379834 /nfs/dbraw/zinc/37/98/34/1032379834.db2.gz LCNOHKQLUQLVHM-IIDMSEBBSA-N 1 2 370.497 2.519 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3cccc(CC#N)c3)C2)c1 ZINC000826570262 1009188504 /nfs/dbraw/zinc/18/85/04/1009188504.db2.gz ZIEUCKRGIPLNMM-OAQYLSRUSA-N 1 2 363.461 2.692 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3cccc(CC#N)c3)C2)c1 ZINC000826570262 1009188514 /nfs/dbraw/zinc/18/85/14/1009188514.db2.gz ZIEUCKRGIPLNMM-OAQYLSRUSA-N 1 2 363.461 2.692 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nc(C)[nH+]c(C)c2C)CCC1 ZINC001092888612 1009347208 /nfs/dbraw/zinc/34/72/08/1009347208.db2.gz HROMIIXYLQVKHP-SQNIBIBYSA-N 1 2 352.482 2.821 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)[C@H](c2ccccc2)N(C)C(=O)OC(C)(C)C)CC1 ZINC001180776328 1009845721 /nfs/dbraw/zinc/84/57/21/1009845721.db2.gz TVGKPBIHGOAJDL-SFHVURJKSA-N 1 2 373.497 2.925 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNc2cc[nH+]c(C)n2)C1 ZINC001093121177 1009923762 /nfs/dbraw/zinc/92/37/62/1009923762.db2.gz YPSWEROQBSFBKK-KNBMTAEXSA-N 1 2 358.486 2.807 20 30 FFEDLO C#C[C@H](NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C1CCOCC1 ZINC000889369651 1009927691 /nfs/dbraw/zinc/92/76/91/1009927691.db2.gz KNKOUAIIPRJUCN-BZSNNMDCSA-N 1 2 356.470 2.532 20 30 FFEDLO C=CCC[C@H]([NH2+]C1CC2(C[C@@H]2NC(=O)OC(C)(C)C)C1)C(=O)OCC ZINC001181828010 1010272803 /nfs/dbraw/zinc/27/28/03/1010272803.db2.gz PUYMFCHLHKQAKE-LPRCSBTHSA-N 1 2 352.475 2.920 20 30 FFEDLO CC[C@@H](C)OCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206882424 1032476932 /nfs/dbraw/zinc/47/69/32/1032476932.db2.gz PGOWYNIHXBYIQZ-GPMSIDNRSA-N 1 2 362.901 2.943 20 30 FFEDLO CC[C@@H](C)OCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206882424 1032476934 /nfs/dbraw/zinc/47/69/34/1032476934.db2.gz PGOWYNIHXBYIQZ-GPMSIDNRSA-N 1 2 362.901 2.943 20 30 FFEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001093784470 1010558429 /nfs/dbraw/zinc/55/84/29/1010558429.db2.gz HCJJTOHFMKDCGU-KCPJHIHWSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001093784470 1010558434 /nfs/dbraw/zinc/55/84/34/1010558434.db2.gz HCJJTOHFMKDCGU-KCPJHIHWSA-N 1 2 357.351 2.643 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nnc(-c4cccc(F)c4)o3)C2)nc1 ZINC000794831700 1010754584 /nfs/dbraw/zinc/75/45/84/1010754584.db2.gz HPCONJICAOQQHB-MRXNPFEDSA-N 1 2 365.368 2.796 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nnc(-c4cccc(F)c4)o3)C2)nc1 ZINC000794831700 1010754592 /nfs/dbraw/zinc/75/45/92/1010754592.db2.gz HPCONJICAOQQHB-MRXNPFEDSA-N 1 2 365.368 2.796 20 30 FFEDLO C=C(C)C[C@H]1NC(=O)N(C2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1=O ZINC000865305502 1010758581 /nfs/dbraw/zinc/75/85/81/1010758581.db2.gz PUTJZODLXSJOEC-GOSISDBHSA-N 1 2 356.470 2.608 20 30 FFEDLO Cc1cccc(-c2noc(C[N@@H+]3C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C3)n2)c1 ZINC001206939614 1032514092 /nfs/dbraw/zinc/51/40/92/1032514092.db2.gz MZZPJKGUAFBWES-SJLPKXTDSA-N 1 2 366.465 2.641 20 30 FFEDLO Cc1cccc(-c2noc(C[N@H+]3C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C3)n2)c1 ZINC001206939614 1032514096 /nfs/dbraw/zinc/51/40/96/1032514096.db2.gz MZZPJKGUAFBWES-SJLPKXTDSA-N 1 2 366.465 2.641 20 30 FFEDLO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866270029 1010966326 /nfs/dbraw/zinc/96/63/26/1010966326.db2.gz RDKPPWNVDKYRIB-IRXDYDNUSA-N 1 2 365.481 2.520 20 30 FFEDLO COCC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110849960 1011219257 /nfs/dbraw/zinc/21/92/57/1011219257.db2.gz SAHSOWUSVDJCSB-QRQLOZEOSA-N 1 2 373.472 2.982 20 30 FFEDLO COCC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110849960 1011219266 /nfs/dbraw/zinc/21/92/66/1011219266.db2.gz SAHSOWUSVDJCSB-QRQLOZEOSA-N 1 2 373.472 2.982 20 30 FFEDLO Cc1cccn2cc(CCNC(=O)N(C)CCc3cccc(C#N)c3)[nH+]c12 ZINC000868330758 1011251723 /nfs/dbraw/zinc/25/17/23/1011251723.db2.gz KCZQTIKWJWPVIP-UHFFFAOYSA-N 1 2 361.449 2.941 20 30 FFEDLO COc1cc(C[NH+]2CCOCC2)ccc1NCCOc1ccc(C#N)cc1 ZINC001171484973 1011340655 /nfs/dbraw/zinc/34/06/55/1011340655.db2.gz ZIOQMRIJUGKXSZ-UHFFFAOYSA-N 1 2 367.449 2.890 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH2+]C[C@H]2C#N)C[C@H]1C(C)(C)C ZINC001171602269 1011398368 /nfs/dbraw/zinc/39/83/68/1011398368.db2.gz RVVQJPOJUVEINA-XHSDSOJGSA-N 1 2 350.507 2.598 20 30 FFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 ZINC000795035387 1011453684 /nfs/dbraw/zinc/45/36/84/1011453684.db2.gz WNHHZMMVJHMEBX-IPMKNSEASA-N 1 2 372.465 2.741 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)occ1C(F)(F)F)C2 ZINC001110824459 1011465880 /nfs/dbraw/zinc/46/58/80/1011465880.db2.gz JUEISCVIBJNUNN-YUELXQCFSA-N 1 2 370.371 2.592 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)occ1C(F)(F)F)C2 ZINC001110824459 1011465885 /nfs/dbraw/zinc/46/58/85/1011465885.db2.gz JUEISCVIBJNUNN-YUELXQCFSA-N 1 2 370.371 2.592 20 30 FFEDLO N#Cc1ccccc1N1CCC(NC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000868914350 1011529707 /nfs/dbraw/zinc/52/97/07/1011529707.db2.gz CJVCVSUGTSGYTH-UHFFFAOYSA-N 1 2 374.448 2.674 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCC[C@@H](CC#N)C3)C2)c1 ZINC000869098114 1011608007 /nfs/dbraw/zinc/60/80/07/1011608007.db2.gz RYTBRUXEGPGSPA-AZUAARDMSA-N 1 2 370.497 2.531 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCC[C@@H](CC#N)C3)C2)c1 ZINC000869098114 1011608013 /nfs/dbraw/zinc/60/80/13/1011608013.db2.gz RYTBRUXEGPGSPA-AZUAARDMSA-N 1 2 370.497 2.531 20 30 FFEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3c(Cl)cccc3Cl)C2)OCC1=O ZINC001275206621 1012083504 /nfs/dbraw/zinc/08/35/04/1012083504.db2.gz BZGCMMNYNLAJGP-QGZVFWFLSA-N 1 2 355.265 2.983 20 30 FFEDLO C=CCN1C[C@]2(CC[N@H+](Cc3c(Cl)cccc3Cl)C2)OCC1=O ZINC001275206621 1012083522 /nfs/dbraw/zinc/08/35/22/1012083522.db2.gz BZGCMMNYNLAJGP-QGZVFWFLSA-N 1 2 355.265 2.983 20 30 FFEDLO CCOCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(C#N)ccc2Cl)C1=O ZINC001275233813 1012118776 /nfs/dbraw/zinc/11/87/76/1012118776.db2.gz FGCYTVAYHBCZHB-LJQANCHMSA-N 1 2 361.873 2.815 20 30 FFEDLO CCOCCN1CC[C@]2(CCC[N@H+]2Cc2cc(C#N)ccc2Cl)C1=O ZINC001275233813 1012118790 /nfs/dbraw/zinc/11/87/90/1012118790.db2.gz FGCYTVAYHBCZHB-LJQANCHMSA-N 1 2 361.873 2.815 20 30 FFEDLO CC(=O)[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cccc(C#N)c1Cl)CC2 ZINC001275307255 1012264244 /nfs/dbraw/zinc/26/42/44/1012264244.db2.gz BGLGMYPCJKVCFS-CXAGYDPISA-N 1 2 373.884 2.907 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(C#N)c1Cl)C2 ZINC001275309480 1012269314 /nfs/dbraw/zinc/26/93/14/1012269314.db2.gz ZLZUWJIZIATUDF-FQEVSTJZSA-N 1 2 373.884 2.839 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccc(C#N)c1Cl)C2 ZINC001275309480 1012269328 /nfs/dbraw/zinc/26/93/28/1012269328.db2.gz ZLZUWJIZIATUDF-FQEVSTJZSA-N 1 2 373.884 2.839 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cncc(Br)c1 ZINC001275358495 1012361585 /nfs/dbraw/zinc/36/15/85/1012361585.db2.gz WSAZZSKWQLMMPW-HUUCEWRRSA-N 1 2 350.260 2.595 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cncc(Br)c1 ZINC001275358495 1012361600 /nfs/dbraw/zinc/36/16/00/1012361600.db2.gz WSAZZSKWQLMMPW-HUUCEWRRSA-N 1 2 350.260 2.595 20 30 FFEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Br)cn1)CC2 ZINC001275376333 1012388273 /nfs/dbraw/zinc/38/82/73/1012388273.db2.gz DKSDOYJHLFVHRD-OAHLLOKOSA-N 1 2 364.287 2.748 20 30 FFEDLO Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)cn1 ZINC001095182626 1012661772 /nfs/dbraw/zinc/66/17/72/1012661772.db2.gz BDHIHYDBISFLTJ-JLSDUUJJSA-N 1 2 352.463 2.859 20 30 FFEDLO Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)cn1 ZINC001095182626 1012661785 /nfs/dbraw/zinc/66/17/85/1012661785.db2.gz BDHIHYDBISFLTJ-JLSDUUJJSA-N 1 2 352.463 2.859 20 30 FFEDLO Cc1ccncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095264539 1013006666 /nfs/dbraw/zinc/00/66/66/1013006666.db2.gz RKTXWDIKYQPBEX-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1ccncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095264539 1013006681 /nfs/dbraw/zinc/00/66/81/1013006681.db2.gz RKTXWDIKYQPBEX-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]nc1-c1ccccn1)C2 ZINC001097195329 1017173646 /nfs/dbraw/zinc/17/36/46/1017173646.db2.gz UUNSDHQIXKBKFV-WQVCFCJDSA-N 1 2 357.845 2.559 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]nc1-c1ccccn1)C2 ZINC001097195329 1017173654 /nfs/dbraw/zinc/17/36/54/1017173654.db2.gz UUNSDHQIXKBKFV-WQVCFCJDSA-N 1 2 357.845 2.559 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)[C@@H]2C)c1 ZINC001050993132 1017193433 /nfs/dbraw/zinc/19/34/33/1017193433.db2.gz CSKPVWVFIUYRBW-QAPCUYQASA-N 1 2 363.465 2.682 20 30 FFEDLO CCC[C@@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110887532 1017203748 /nfs/dbraw/zinc/20/37/48/1017203748.db2.gz OLSKKDKUPONBCD-YSTOQKLRSA-N 1 2 358.457 2.714 20 30 FFEDLO CCC[C@@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110887532 1017203758 /nfs/dbraw/zinc/20/37/58/1017203758.db2.gz OLSKKDKUPONBCD-YSTOQKLRSA-N 1 2 358.457 2.714 20 30 FFEDLO N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn4c[nH+]cc4c2)C3)cc1 ZINC001097444790 1017469060 /nfs/dbraw/zinc/46/90/60/1017469060.db2.gz HUGFDXXWYFFJOR-NRSPTQNISA-N 1 2 371.444 2.741 20 30 FFEDLO CCCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)[nH]n1 ZINC001097618050 1017706894 /nfs/dbraw/zinc/70/68/94/1017706894.db2.gz LZDGRQUOYAIWQN-GGPKGHCWSA-N 1 2 363.465 2.769 20 30 FFEDLO CCCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)[nH]n1 ZINC001097618050 1017706903 /nfs/dbraw/zinc/70/69/03/1017706903.db2.gz LZDGRQUOYAIWQN-GGPKGHCWSA-N 1 2 363.465 2.769 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)cs2)cc1 ZINC001097626652 1017724152 /nfs/dbraw/zinc/72/41/52/1017724152.db2.gz PSMRGVOVICUIJE-KURKYZTESA-N 1 2 351.475 2.968 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)cs2)cc1 ZINC001097626652 1017724161 /nfs/dbraw/zinc/72/41/61/1017724161.db2.gz PSMRGVOVICUIJE-KURKYZTESA-N 1 2 351.475 2.968 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2occc2C(C)C)C3)C1=O ZINC001097701797 1017815640 /nfs/dbraw/zinc/81/56/40/1017815640.db2.gz MIQADXJTKDGVOB-BGTYHANMSA-N 1 2 371.481 2.525 20 30 FFEDLO C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2occc2C(C)C)C3)C1=O ZINC001097701797 1017815655 /nfs/dbraw/zinc/81/56/55/1017815655.db2.gz MIQADXJTKDGVOB-BGTYHANMSA-N 1 2 371.481 2.525 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ncccc1F)C2 ZINC001097724333 1017851248 /nfs/dbraw/zinc/85/12/48/1017851248.db2.gz DYMCBZGRHJDSNA-AHRSYUTCSA-N 1 2 364.424 2.557 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ncccc1F)C2 ZINC001097724333 1017851268 /nfs/dbraw/zinc/85/12/68/1017851268.db2.gz DYMCBZGRHJDSNA-AHRSYUTCSA-N 1 2 364.424 2.557 20 30 FFEDLO CCc1nocc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001097799460 1017945641 /nfs/dbraw/zinc/94/56/41/1017945641.db2.gz XUCFZQGYOCFEDY-LQAWEQHXSA-N 1 2 356.451 2.705 20 30 FFEDLO CCc1nocc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001097799460 1017945645 /nfs/dbraw/zinc/94/56/45/1017945645.db2.gz XUCFZQGYOCFEDY-LQAWEQHXSA-N 1 2 356.451 2.705 20 30 FFEDLO CCC(CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ncccc2C#N)C1 ZINC001052722896 1018057489 /nfs/dbraw/zinc/05/74/89/1018057489.db2.gz LRASCMPDRGBKBU-IAGOWNOFSA-N 1 2 366.469 2.529 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)[nH]1 ZINC001097867660 1018070199 /nfs/dbraw/zinc/07/01/99/1018070199.db2.gz GJTGJDZMNJHPLP-NXHRZFHOSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)[nH]1 ZINC001097867660 1018070210 /nfs/dbraw/zinc/07/02/10/1018070210.db2.gz GJTGJDZMNJHPLP-NXHRZFHOSA-N 1 2 367.428 2.573 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cccc(F)n2)C1 ZINC001052750047 1018082713 /nfs/dbraw/zinc/08/27/13/1018082713.db2.gz BMBNTPWAQJXBCO-STXHMFSFSA-N 1 2 371.460 2.963 20 30 FFEDLO CCC[C@H](C)CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001217493904 1032757169 /nfs/dbraw/zinc/75/71/69/1032757169.db2.gz QSXGTLVIOYZJAW-SESVDKBCSA-N 1 2 354.494 2.776 20 30 FFEDLO CCC[C@H](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001217493904 1032757187 /nfs/dbraw/zinc/75/71/87/1032757187.db2.gz QSXGTLVIOYZJAW-SESVDKBCSA-N 1 2 354.494 2.776 20 30 FFEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1[C@@H](c3ccccc3)C1(C)C)O2 ZINC001053599008 1018380609 /nfs/dbraw/zinc/38/06/09/1018380609.db2.gz KGRCXXBCBWBELA-OTWHNJEPSA-N 1 2 354.494 2.962 20 30 FFEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1CC)O2 ZINC001053655039 1018402324 /nfs/dbraw/zinc/40/23/24/1018402324.db2.gz ZWCXXRIGFWFDGA-YSIASYRMSA-N 1 2 354.494 2.888 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1 ZINC001110934657 1018709794 /nfs/dbraw/zinc/70/97/94/1018709794.db2.gz JZGIIZPJRIFONH-AITUJVMLSA-N 1 2 355.482 2.949 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1 ZINC001110934657 1018709801 /nfs/dbraw/zinc/70/98/01/1018709801.db2.gz JZGIIZPJRIFONH-AITUJVMLSA-N 1 2 355.482 2.949 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]21 ZINC001040866683 1018729789 /nfs/dbraw/zinc/72/97/89/1018729789.db2.gz XCQOPQRUGLWDRU-PKOBYXMFSA-N 1 2 365.481 2.740 20 30 FFEDLO CC(C)C[C@H](C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)n1cc[nH+]c1 ZINC000928722825 1019098313 /nfs/dbraw/zinc/09/83/13/1019098313.db2.gz XKIWNGSZWZUVSZ-QZTJIDSGSA-N 1 2 366.469 2.840 20 30 FFEDLO C#CC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1 ZINC000796632950 1019328571 /nfs/dbraw/zinc/32/85/71/1019328571.db2.gz PCZDMTZSEYKCFU-UHFFFAOYSA-N 1 2 363.461 2.597 20 30 FFEDLO C#CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1 ZINC000796632950 1019328580 /nfs/dbraw/zinc/32/85/80/1019328580.db2.gz PCZDMTZSEYKCFU-UHFFFAOYSA-N 1 2 363.461 2.597 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1C ZINC001110967024 1019384536 /nfs/dbraw/zinc/38/45/36/1019384536.db2.gz OWMYRSNDYASWML-AQNXPRMDSA-N 1 2 369.509 2.689 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1C ZINC001110967024 1019384557 /nfs/dbraw/zinc/38/45/57/1019384557.db2.gz OWMYRSNDYASWML-AQNXPRMDSA-N 1 2 369.509 2.689 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@]34CCO[C@H]3CCCC4)CC2)cc1 ZINC000929362671 1019388604 /nfs/dbraw/zinc/38/86/04/1019388604.db2.gz IJSOPRIVHIUXIE-FPOVZHCZSA-N 1 2 353.466 2.552 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)ccn1 ZINC001096210639 1019391275 /nfs/dbraw/zinc/39/12/75/1019391275.db2.gz HVTQXHDENNAPNC-HOJAQTOUSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)ccn1 ZINC001096210639 1019391288 /nfs/dbraw/zinc/39/12/88/1019391288.db2.gz HVTQXHDENNAPNC-HOJAQTOUSA-N 1 2 364.424 2.936 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c([nH]c1=O)CCCC3)C2 ZINC001096222720 1019459383 /nfs/dbraw/zinc/45/93/83/1019459383.db2.gz XSZQLXFFLKHMMP-COXVUDFISA-N 1 2 361.873 2.754 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c([nH]c1=O)CCCC3)C2 ZINC001096222720 1019459390 /nfs/dbraw/zinc/45/93/90/1019459390.db2.gz XSZQLXFFLKHMMP-COXVUDFISA-N 1 2 361.873 2.754 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccs1)C2 ZINC001096226268 1019479169 /nfs/dbraw/zinc/47/91/69/1019479169.db2.gz FNRKOYSRLVWDFU-PMPSAXMXSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccs1)C2 ZINC001096226268 1019479173 /nfs/dbraw/zinc/47/91/73/1019479173.db2.gz FNRKOYSRLVWDFU-PMPSAXMXSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2nccs2)C3)cc1C#N ZINC001096226381 1019481261 /nfs/dbraw/zinc/48/12/61/1019481261.db2.gz IAIKJXOPWWGEMJ-PMPSAXMXSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2nccs2)C3)cc1C#N ZINC001096226381 1019481266 /nfs/dbraw/zinc/48/12/66/1019481266.db2.gz IAIKJXOPWWGEMJ-PMPSAXMXSA-N 1 2 368.462 2.559 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cnn(C(F)F)c1 ZINC001096244810 1019581159 /nfs/dbraw/zinc/58/11/59/1019581159.db2.gz YMJFIMMQUSZQGN-SQNIBIBYSA-N 1 2 370.403 2.665 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cnn(C(F)F)c1 ZINC001096244810 1019581170 /nfs/dbraw/zinc/58/11/70/1019581170.db2.gz YMJFIMMQUSZQGN-SQNIBIBYSA-N 1 2 370.403 2.665 20 30 FFEDLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)CCCOC1 ZINC001096251345 1019611997 /nfs/dbraw/zinc/61/19/97/1019611997.db2.gz COCJIPUWOOZNOK-FCIYXJNOSA-N 1 2 370.468 2.715 20 30 FFEDLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)CCCOC1 ZINC001096251345 1019612003 /nfs/dbraw/zinc/61/20/03/1019612003.db2.gz COCJIPUWOOZNOK-FCIYXJNOSA-N 1 2 370.468 2.715 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1C[NH+](Cc2cccc(OC)c2)C1 ZINC001044026288 1019627285 /nfs/dbraw/zinc/62/72/85/1019627285.db2.gz YCYGXBPQDDUNCV-PMACEKPBSA-N 1 2 358.482 2.709 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1C[NH+](CCOc2ccccc2)C1 ZINC001044029695 1019631516 /nfs/dbraw/zinc/63/15/16/1019631516.db2.gz WEBGZKSHFOTYAU-PMACEKPBSA-N 1 2 358.482 2.579 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC001044037590 1019640518 /nfs/dbraw/zinc/64/05/18/1019640518.db2.gz KFAKTYYMTMVMFI-SXLOBPIMSA-N 1 2 358.457 2.937 20 30 FFEDLO CC(=O)CCCC(=O)N1CC[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@H]2C1 ZINC001222266010 1032857590 /nfs/dbraw/zinc/85/75/90/1032857590.db2.gz KJYKQVVNJOVHPY-XLIONFOSSA-N 1 2 371.456 2.879 20 30 FFEDLO CC(=O)CCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@H]2C1 ZINC001222266010 1032857596 /nfs/dbraw/zinc/85/75/96/1032857596.db2.gz KJYKQVVNJOVHPY-XLIONFOSSA-N 1 2 371.456 2.879 20 30 FFEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2cncc(C#N)c2)CCN1Cc1cncc(C#N)c1 ZINC000930079752 1019862147 /nfs/dbraw/zinc/86/21/47/1019862147.db2.gz IOIVTDCQNZAYML-VGOFRKELSA-N 1 2 374.492 2.952 20 30 FFEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2cncc(C#N)c2)CCN1Cc1cncc(C#N)c1 ZINC000930079752 1019862159 /nfs/dbraw/zinc/86/21/59/1019862159.db2.gz IOIVTDCQNZAYML-VGOFRKELSA-N 1 2 374.492 2.952 20 30 FFEDLO C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](CNc2cccc(F)c2C#N)C1 ZINC001048206586 1019999128 /nfs/dbraw/zinc/99/91/28/1019999128.db2.gz YQOLPTNHQFNEQQ-ZBFHGGJFSA-N 1 2 369.444 2.713 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)c2ncc(C)o2)C1 ZINC001070676981 1020060340 /nfs/dbraw/zinc/06/03/40/1020060340.db2.gz XCWKRKWSTKATSL-BZUAXINKSA-N 1 2 371.485 2.574 20 30 FFEDLO N#Cc1cccnc1N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001045745659 1020111234 /nfs/dbraw/zinc/11/12/34/1020111234.db2.gz KUIDJXXNNOYASF-BZUAXINKSA-N 1 2 364.453 2.636 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110995970 1020160886 /nfs/dbraw/zinc/16/08/86/1020160886.db2.gz AGKVNFFESBUOTJ-MXEMCNAFSA-N 1 2 372.484 2.960 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110995970 1020160896 /nfs/dbraw/zinc/16/08/96/1020160896.db2.gz AGKVNFFESBUOTJ-MXEMCNAFSA-N 1 2 372.484 2.960 20 30 FFEDLO Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)C#CC(C)C)[C@H]3C2)c(Cl)c1 ZINC001217852117 1032886845 /nfs/dbraw/zinc/88/68/45/1032886845.db2.gz CDGLTGPWRSDDGI-RBUKOAKNSA-N 1 2 360.885 2.719 20 30 FFEDLO Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C#CC(C)C)[C@H]3C2)c(Cl)c1 ZINC001217852117 1032886862 /nfs/dbraw/zinc/88/68/62/1032886862.db2.gz CDGLTGPWRSDDGI-RBUKOAKNSA-N 1 2 360.885 2.719 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)no1 ZINC001096379613 1020288273 /nfs/dbraw/zinc/28/82/73/1020288273.db2.gz UYZALBQOPBNKGY-AYBZRNKSSA-N 1 2 350.422 2.644 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)no1 ZINC001096379613 1020288281 /nfs/dbraw/zinc/28/82/81/1020288281.db2.gz UYZALBQOPBNKGY-AYBZRNKSSA-N 1 2 350.422 2.644 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)C)CC1 ZINC000802673382 1020314565 /nfs/dbraw/zinc/31/45/65/1020314565.db2.gz HHYNYHPSMQOHSO-UHFFFAOYSA-N 1 2 367.497 2.577 20 30 FFEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3CCOC[C@@H]3C[C@@H]3CCOC3)n2)cc1 ZINC000902604679 1020333333 /nfs/dbraw/zinc/33/33/33/1020333333.db2.gz IYXMVRXWQRFFSH-HKUYNNGSSA-N 1 2 352.438 2.507 20 30 FFEDLO N#Cc1ccc(-c2ccn(C[N@H+]3CCOC[C@@H]3C[C@@H]3CCOC3)n2)cc1 ZINC000902604679 1020333352 /nfs/dbraw/zinc/33/33/52/1020333352.db2.gz IYXMVRXWQRFFSH-HKUYNNGSSA-N 1 2 352.438 2.507 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C\Cl)C2 ZINC001073051105 1020354556 /nfs/dbraw/zinc/35/45/56/1020354556.db2.gz ODFCXPMEOWRBBJ-OOHOIJMXSA-N 1 2 359.297 2.821 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001073051105 1020354563 /nfs/dbraw/zinc/35/45/63/1020354563.db2.gz ODFCXPMEOWRBBJ-OOHOIJMXSA-N 1 2 359.297 2.821 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001073056748 1020355875 /nfs/dbraw/zinc/35/58/75/1020355875.db2.gz SMMFLILOBHREAC-HUUCEWRRSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001073056748 1020355889 /nfs/dbraw/zinc/35/58/89/1020355889.db2.gz SMMFLILOBHREAC-HUUCEWRRSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1Cc3cc(F)ccc3O1)C2 ZINC001096092998 1020613357 /nfs/dbraw/zinc/61/33/57/1020613357.db2.gz ZSJCKPLLQPBREI-AESZEHBQSA-N 1 2 350.821 2.603 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1Cc3cc(F)ccc3O1)C2 ZINC001096092998 1020613358 /nfs/dbraw/zinc/61/33/58/1020613358.db2.gz ZSJCKPLLQPBREI-AESZEHBQSA-N 1 2 350.821 2.603 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1csc(C)n1 ZINC001074067748 1020632478 /nfs/dbraw/zinc/63/24/78/1020632478.db2.gz PBRHFGSALHTANF-KURKYZTESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1csc(C)n1 ZINC001074067748 1020632480 /nfs/dbraw/zinc/63/24/80/1020632480.db2.gz PBRHFGSALHTANF-KURKYZTESA-N 1 2 363.527 2.856 20 30 FFEDLO CCc1nc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001096449713 1020639022 /nfs/dbraw/zinc/63/90/22/1020639022.db2.gz VZODWFHNGRLYSC-JLSDUUJJSA-N 1 2 367.428 2.518 20 30 FFEDLO CCc1nc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001096449713 1020639026 /nfs/dbraw/zinc/63/90/26/1020639026.db2.gz VZODWFHNGRLYSC-JLSDUUJJSA-N 1 2 367.428 2.518 20 30 FFEDLO Cc1nc([C@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)no1 ZINC000931944481 1020639391 /nfs/dbraw/zinc/63/93/91/1020639391.db2.gz HFKGEYLFZCALOJ-ZBFHGGJFSA-N 1 2 353.426 2.503 20 30 FFEDLO Cc1nc([C@H]2CC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)no1 ZINC000931944481 1020639393 /nfs/dbraw/zinc/63/93/93/1020639393.db2.gz HFKGEYLFZCALOJ-ZBFHGGJFSA-N 1 2 353.426 2.503 20 30 FFEDLO Cc1nc([C@@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)no1 ZINC000931948456 1020641015 /nfs/dbraw/zinc/64/10/15/1020641015.db2.gz JLGACJPTHMTPLA-UKRRQHHQSA-N 1 2 371.416 2.642 20 30 FFEDLO Cc1nc([C@@H]2CC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)no1 ZINC000931948456 1020641018 /nfs/dbraw/zinc/64/10/18/1020641018.db2.gz JLGACJPTHMTPLA-UKRRQHHQSA-N 1 2 371.416 2.642 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cnn2c1CCCC2 ZINC001098162022 1020699780 /nfs/dbraw/zinc/69/97/80/1020699780.db2.gz LBZULIINEKBULX-UZKOGDIHSA-N 1 2 374.488 2.606 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cnn2c1CCCC2 ZINC001098162022 1020699782 /nfs/dbraw/zinc/69/97/82/1020699782.db2.gz LBZULIINEKBULX-UZKOGDIHSA-N 1 2 374.488 2.606 20 30 FFEDLO C[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1)c1cccc(C#N)c1O ZINC000903173731 1020723601 /nfs/dbraw/zinc/72/36/01/1020723601.db2.gz VAFRYJAZTGRQBZ-CQSZACIVSA-N 1 2 373.478 2.506 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CCN1c1ccc(C#N)cn1 ZINC001049084885 1020728082 /nfs/dbraw/zinc/72/80/82/1020728082.db2.gz ASQRNRDJOMOJSN-FUHWJXTLSA-N 1 2 360.421 2.617 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001098287114 1020795814 /nfs/dbraw/zinc/79/58/14/1020795814.db2.gz XVPYYIBBLAHBAK-QRVBRYPASA-N 1 2 365.502 2.897 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001098287114 1020795821 /nfs/dbraw/zinc/79/58/21/1020795821.db2.gz XVPYYIBBLAHBAK-QRVBRYPASA-N 1 2 365.502 2.897 20 30 FFEDLO CCc1nc[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001098296578 1020798802 /nfs/dbraw/zinc/79/88/02/1020798802.db2.gz VZODWFHNGRLYSC-OLMNPRSZSA-N 1 2 367.428 2.518 20 30 FFEDLO CCc1nc[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001098296578 1020798804 /nfs/dbraw/zinc/79/88/04/1020798804.db2.gz VZODWFHNGRLYSC-OLMNPRSZSA-N 1 2 367.428 2.518 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC13CCOCC3)C2 ZINC001098525151 1020983116 /nfs/dbraw/zinc/98/31/16/1020983116.db2.gz FHGYYZHIXPXSRC-WCIQWLHISA-N 1 2 365.477 2.596 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC13CCOCC3)C2 ZINC001098525151 1020983121 /nfs/dbraw/zinc/98/31/21/1020983121.db2.gz FHGYYZHIXPXSRC-WCIQWLHISA-N 1 2 365.477 2.596 20 30 FFEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)nc1-c1cccnc1 ZINC000749806489 1021038757 /nfs/dbraw/zinc/03/87/57/1021038757.db2.gz MXFGREOKGIFVDX-SJORKVTESA-N 1 2 371.510 2.978 20 30 FFEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)nc1-c1cccnc1 ZINC000749806489 1021038762 /nfs/dbraw/zinc/03/87/62/1021038762.db2.gz MXFGREOKGIFVDX-SJORKVTESA-N 1 2 371.510 2.978 20 30 FFEDLO Cc1nc(O[C@H]2CC[NH2+]CC2(F)F)c(C#N)cc1-c1ccc2nccn2c1 ZINC001218011037 1032949991 /nfs/dbraw/zinc/94/99/91/1032949991.db2.gz SYOWOKNARNZRQV-INIZCTEOSA-N 1 2 369.375 2.952 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@H+](C[C@H]3CCC4(CCOCC4)CO3)CCO2)cc1 ZINC000933629412 1021054464 /nfs/dbraw/zinc/05/44/64/1021054464.db2.gz BQNPULMZDLTSPK-UXHICEINSA-N 1 2 356.466 2.907 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@@H+](C[C@H]3CCC4(CCOCC4)CO3)CCO2)cc1 ZINC000933629412 1021054466 /nfs/dbraw/zinc/05/44/66/1021054466.db2.gz BQNPULMZDLTSPK-UXHICEINSA-N 1 2 356.466 2.907 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@H+](CCc3nc4ccccc4c(=O)[nH]3)CCO2)cc1 ZINC000933630858 1021055358 /nfs/dbraw/zinc/05/53/58/1021055358.db2.gz UMORBKXDPMHILU-IBGZPJMESA-N 1 2 360.417 2.823 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@@H+](CCc3nc4ccccc4c(=O)[nH]3)CCO2)cc1 ZINC000933630858 1021055364 /nfs/dbraw/zinc/05/53/64/1021055364.db2.gz UMORBKXDPMHILU-IBGZPJMESA-N 1 2 360.417 2.823 20 30 FFEDLO Cc1cc(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cc(F)ccc2C#N)C3)on1 ZINC001098722334 1021073950 /nfs/dbraw/zinc/07/39/50/1021073950.db2.gz PMLYDZFNBZCMBJ-JXFKEZNVSA-N 1 2 368.412 2.778 20 30 FFEDLO Cc1cc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cc(F)ccc2C#N)C3)on1 ZINC001098722334 1021073957 /nfs/dbraw/zinc/07/39/57/1021073957.db2.gz PMLYDZFNBZCMBJ-JXFKEZNVSA-N 1 2 368.412 2.778 20 30 FFEDLO C[C@@]1(C2CC2)COCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000934476829 1021253474 /nfs/dbraw/zinc/25/34/74/1021253474.db2.gz GDLJIKFBHFBCSG-IERDGZPVSA-N 1 2 362.433 2.725 20 30 FFEDLO C[C@@]1(C2CC2)COCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000934476829 1021253487 /nfs/dbraw/zinc/25/34/87/1021253487.db2.gz GDLJIKFBHFBCSG-IERDGZPVSA-N 1 2 362.433 2.725 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000935088873 1021561663 /nfs/dbraw/zinc/56/16/63/1021561663.db2.gz AAHARPQBIABQRR-HNNXBMFYSA-N 1 2 374.485 2.549 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2nc(CC)no2)C3)CC1 ZINC001099012441 1021589951 /nfs/dbraw/zinc/58/99/51/1021589951.db2.gz ATICREGXFQMSAP-JXFKEZNVSA-N 1 2 358.486 2.849 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2nc(CC)no2)C3)CC1 ZINC001099012441 1021589965 /nfs/dbraw/zinc/58/99/65/1021589965.db2.gz ATICREGXFQMSAP-JXFKEZNVSA-N 1 2 358.486 2.849 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccnc(C)c2)C1 ZINC001099086611 1021750821 /nfs/dbraw/zinc/75/08/21/1021750821.db2.gz OWNUOLGNDNTOJZ-RDJZCZTQSA-N 1 2 364.287 2.883 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccnc(C)c2)C1 ZINC001099086611 1021750833 /nfs/dbraw/zinc/75/08/33/1021750833.db2.gz OWNUOLGNDNTOJZ-RDJZCZTQSA-N 1 2 364.287 2.883 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)c(F)c1 ZINC001014486262 1021860629 /nfs/dbraw/zinc/86/06/29/1021860629.db2.gz PVFRWEPFIYHPPW-TWKWOARYSA-N 1 2 353.441 2.990 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)c(F)c1 ZINC001014486262 1021860640 /nfs/dbraw/zinc/86/06/40/1021860640.db2.gz PVFRWEPFIYHPPW-TWKWOARYSA-N 1 2 353.441 2.990 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc3cc(C)ccc3s2)C1 ZINC001015727088 1021946286 /nfs/dbraw/zinc/94/62/86/1021946286.db2.gz VGGASCHSLJWFKP-UXLLHSPISA-N 1 2 371.506 2.886 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc3cc(C)ccc3s2)C1 ZINC001015727088 1021946300 /nfs/dbraw/zinc/94/63/00/1021946300.db2.gz VGGASCHSLJWFKP-UXLLHSPISA-N 1 2 371.506 2.886 20 30 FFEDLO CCOc1cc(C[N@H+](C)Cn2cccc(C#N)c2=O)ccc1OC(F)F ZINC000750607932 1022231697 /nfs/dbraw/zinc/23/16/97/1022231697.db2.gz KNNLLWWIKFFBJW-UHFFFAOYSA-N 1 2 363.364 2.810 20 30 FFEDLO CCOc1cc(C[N@@H+](C)Cn2cccc(C#N)c2=O)ccc1OC(F)F ZINC000750607932 1022231702 /nfs/dbraw/zinc/23/17/02/1022231702.db2.gz KNNLLWWIKFFBJW-UHFFFAOYSA-N 1 2 363.364 2.810 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3nccn3C)C2)CC1 ZINC001099301657 1022257002 /nfs/dbraw/zinc/25/70/02/1022257002.db2.gz LYKQHYIHRRKPRA-HUUCEWRRSA-N 1 2 370.419 2.645 20 30 FFEDLO COC[C@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001111208384 1022416933 /nfs/dbraw/zinc/41/69/33/1022416933.db2.gz KTWRSFLPXRJNDJ-AZFSHXRASA-N 1 2 359.445 2.591 20 30 FFEDLO COC[C@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001111208384 1022416940 /nfs/dbraw/zinc/41/69/40/1022416940.db2.gz KTWRSFLPXRJNDJ-AZFSHXRASA-N 1 2 359.445 2.591 20 30 FFEDLO CC(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038263967 1022638579 /nfs/dbraw/zinc/63/85/79/1022638579.db2.gz XWAABCNYDZAWLR-HKBOAZHASA-N 1 2 354.494 2.680 20 30 FFEDLO CC(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038263967 1022638584 /nfs/dbraw/zinc/63/85/84/1022638584.db2.gz XWAABCNYDZAWLR-HKBOAZHASA-N 1 2 354.494 2.680 20 30 FFEDLO COC(=O)Cc1ccccc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000751956405 1022996494 /nfs/dbraw/zinc/99/64/94/1022996494.db2.gz NMWMHQXFPULAPC-UHFFFAOYSA-N 1 2 363.461 2.592 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCO[C@H](CC(F)(F)F)C1 ZINC001122442240 1023271890 /nfs/dbraw/zinc/27/18/90/1023271890.db2.gz ZZDYQWNHYBRERT-ZIAGYGMSSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCO[C@H](CC(F)(F)F)C1 ZINC001122442240 1023271898 /nfs/dbraw/zinc/27/18/98/1023271898.db2.gz ZZDYQWNHYBRERT-ZIAGYGMSSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC001122537585 1023326235 /nfs/dbraw/zinc/32/62/35/1023326235.db2.gz XPFKAPMCKCLVMO-FJIDUMEYSA-N 1 2 373.545 2.997 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC001122537585 1023326236 /nfs/dbraw/zinc/32/62/36/1023326236.db2.gz XPFKAPMCKCLVMO-FJIDUMEYSA-N 1 2 373.545 2.997 20 30 FFEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCO[C@H](C)C1 ZINC001122541122 1023328768 /nfs/dbraw/zinc/32/87/68/1023328768.db2.gz ZSVFILKFQJWMCT-IAGOWNOFSA-N 1 2 358.490 2.911 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000829366568 1033124412 /nfs/dbraw/zinc/12/44/12/1033124412.db2.gz OICQOTMQWZGXCB-PZJWPPBQSA-N 1 2 350.418 2.538 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000829366568 1033124422 /nfs/dbraw/zinc/12/44/22/1033124422.db2.gz OICQOTMQWZGXCB-PZJWPPBQSA-N 1 2 350.418 2.538 20 30 FFEDLO C=C(C)Cn1c(Nc2ccn(CC)n2)nnc1[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001122630299 1023379014 /nfs/dbraw/zinc/37/90/14/1023379014.db2.gz XDUUZHRPSPPRHT-OAHLLOKOSA-N 1 2 359.478 2.596 20 30 FFEDLO C=C(C)Cn1c(Nc2ccn(CC)n2)nnc1[C@H]1C[N@H+](C(C)C)CCO1 ZINC001122630299 1023379023 /nfs/dbraw/zinc/37/90/23/1023379023.db2.gz XDUUZHRPSPPRHT-OAHLLOKOSA-N 1 2 359.478 2.596 20 30 FFEDLO O=[N+]([O-])c1cccc(-c2nc(C=NNC3=[NH+][C@H]4CCCC[C@@H]4N3)cs2)c1 ZINC000753933050 1023401191 /nfs/dbraw/zinc/40/11/91/1023401191.db2.gz AXMHAOIBYFPOFW-GJZGRUSLSA-N 1 2 370.438 2.912 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3CCCC[N@H+]3C)n2C[C@@H]2CCOC2)C1 ZINC001123050897 1023612235 /nfs/dbraw/zinc/61/22/35/1023612235.db2.gz RGBCCVUMSHXMON-CEXWTWQISA-N 1 2 371.529 2.711 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2C[C@@H]2CCOC2)C1 ZINC001123050897 1023612239 /nfs/dbraw/zinc/61/22/39/1023612239.db2.gz RGBCCVUMSHXMON-CEXWTWQISA-N 1 2 371.529 2.711 20 30 FFEDLO C=CCn1nnn(C[N@H+]2CCC[C@@H]2Cn2c(C)nc3ccccc32)c1=S ZINC000755763039 1023634187 /nfs/dbraw/zinc/63/41/87/1023634187.db2.gz NGFHHOIMIFUOKK-OAHLLOKOSA-N 1 2 369.498 2.775 20 30 FFEDLO C=CCn1nnn(C[N@@H+]2CCC[C@@H]2Cn2c(C)nc3ccccc32)c1=S ZINC000755763039 1023634191 /nfs/dbraw/zinc/63/41/91/1023634191.db2.gz NGFHHOIMIFUOKK-OAHLLOKOSA-N 1 2 369.498 2.775 20 30 FFEDLO CN(C)c1cc(COC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cc[nH+]1 ZINC000755911986 1023650425 /nfs/dbraw/zinc/65/04/25/1023650425.db2.gz AROPZLWUMVFPLY-GOSISDBHSA-N 1 2 350.422 2.731 20 30 FFEDLO C#CCCCCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]21 ZINC001218431258 1033153673 /nfs/dbraw/zinc/15/36/73/1033153673.db2.gz VSQSNYZUOUHIRK-VQTJNVASSA-N 1 2 358.457 2.821 20 30 FFEDLO C#CCCCCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]21 ZINC001218431258 1033153679 /nfs/dbraw/zinc/15/36/79/1033153679.db2.gz VSQSNYZUOUHIRK-VQTJNVASSA-N 1 2 358.457 2.821 20 30 FFEDLO C=C(C)CN(CC)c1nnc(Cc2[nH+]ccn2C)n1C[C@@H]1CCCCO1 ZINC001123265958 1023714489 /nfs/dbraw/zinc/71/44/89/1023714489.db2.gz SBKSXYOJPCGJKT-INIZCTEOSA-N 1 2 358.490 2.574 20 30 FFEDLO Cn1c(CC(C)(C)C#N)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001121410085 1023757645 /nfs/dbraw/zinc/75/76/45/1023757645.db2.gz CGIMBODPYYRFLL-UHFFFAOYSA-N 1 2 372.904 2.883 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC(C2CCCCC2)CC1 ZINC001121509740 1023818570 /nfs/dbraw/zinc/81/85/70/1023818570.db2.gz IFSTWQCMYUFGIR-RTBURBONSA-N 1 2 373.545 2.998 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC(C2CCCCC2)CC1 ZINC001121509740 1023818573 /nfs/dbraw/zinc/81/85/73/1023818573.db2.gz IFSTWQCMYUFGIR-RTBURBONSA-N 1 2 373.545 2.998 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC(C2CCCCC2)CC1 ZINC001121509738 1023818762 /nfs/dbraw/zinc/81/87/62/1023818762.db2.gz IFSTWQCMYUFGIR-RBUKOAKNSA-N 1 2 373.545 2.998 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC(C2CCCCC2)CC1 ZINC001121509738 1023818763 /nfs/dbraw/zinc/81/87/63/1023818763.db2.gz IFSTWQCMYUFGIR-RBUKOAKNSA-N 1 2 373.545 2.998 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1ccc(OC)c(F)c1 ZINC001123555821 1023867076 /nfs/dbraw/zinc/86/70/76/1023867076.db2.gz DKTVWQFENQOGFT-UHFFFAOYSA-N 1 2 370.432 2.573 20 30 FFEDLO C#CCN(C)c1nnc(Cc2[nH+]ccn2Cc2ccccc2)n1CC1CC1 ZINC001123595497 1023890572 /nfs/dbraw/zinc/89/05/72/1023890572.db2.gz SUBDBIJFNAOJPY-UHFFFAOYSA-N 1 2 360.465 2.593 20 30 FFEDLO CC[C@H]1C[N@H+](Cn2ccc(C)c(C#N)c2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000758243288 1023990694 /nfs/dbraw/zinc/99/06/94/1023990694.db2.gz PINXWSNVBADSSU-DOTOQJQBSA-N 1 2 374.485 2.611 20 30 FFEDLO CC[C@H]1C[N@@H+](Cn2ccc(C)c(C#N)c2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000758243288 1023990709 /nfs/dbraw/zinc/99/07/09/1023990709.db2.gz PINXWSNVBADSSU-DOTOQJQBSA-N 1 2 374.485 2.611 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3c(C)noc3CC)C[C@@H]21 ZINC001218524574 1033200927 /nfs/dbraw/zinc/20/09/27/1033200927.db2.gz ZMKDRESOJDZDKO-DKSSEZFCSA-N 1 2 361.486 2.559 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3c(C)noc3CC)C[C@@H]21 ZINC001218524574 1033200940 /nfs/dbraw/zinc/20/09/40/1033200940.db2.gz ZMKDRESOJDZDKO-DKSSEZFCSA-N 1 2 361.486 2.559 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001101325073 1024455169 /nfs/dbraw/zinc/45/51/69/1024455169.db2.gz FIRRGHPIVQWMJT-NQIIRXRSSA-N 1 2 371.529 2.723 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001101325073 1024455175 /nfs/dbraw/zinc/45/51/75/1024455175.db2.gz FIRRGHPIVQWMJT-NQIIRXRSSA-N 1 2 371.529 2.723 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001101336438 1024483974 /nfs/dbraw/zinc/48/39/74/1024483974.db2.gz COCAECQKXQEVKP-HLIPFELVSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001101336438 1024483981 /nfs/dbraw/zinc/48/39/81/1024483981.db2.gz COCAECQKXQEVKP-HLIPFELVSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)o3)C[C@@]2(C)C1 ZINC001101337798 1024486378 /nfs/dbraw/zinc/48/63/78/1024486378.db2.gz LXMXNLNOVNTGMP-KKVAFCGZSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)o3)C[C@@]2(C)C1 ZINC001101337798 1024486386 /nfs/dbraw/zinc/48/63/86/1024486386.db2.gz LXMXNLNOVNTGMP-KKVAFCGZSA-N 1 2 358.486 2.830 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc4n3CCCCC4)C[C@@]2(C)C1 ZINC001101347951 1024513653 /nfs/dbraw/zinc/51/36/53/1024513653.db2.gz QYOIFWGZETXGAH-UTKZUKDTSA-N 1 2 371.529 2.641 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc4n3CCCCC4)C[C@@]2(C)C1 ZINC001101347951 1024513661 /nfs/dbraw/zinc/51/36/61/1024513661.db2.gz QYOIFWGZETXGAH-UTKZUKDTSA-N 1 2 371.529 2.641 20 30 FFEDLO N#Cc1ccc(F)cc1COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000759360526 1024580536 /nfs/dbraw/zinc/58/05/36/1024580536.db2.gz ASQUXMMJEFVUOY-LJQANCHMSA-N 1 2 354.381 2.642 20 30 FFEDLO N#Cc1ccc(F)cc1COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000759360526 1024580549 /nfs/dbraw/zinc/58/05/49/1024580549.db2.gz ASQUXMMJEFVUOY-LJQANCHMSA-N 1 2 354.381 2.642 20 30 FFEDLO C=CC1(CC(=O)N2C[C@H]3C[N@@H+](Cc4cnn(C)n4)C[C@@]3(C)C2)CCCCC1 ZINC001101390966 1024613776 /nfs/dbraw/zinc/61/37/76/1024613776.db2.gz YIBVBNFDBWKAHA-XLIONFOSSA-N 1 2 371.529 2.622 20 30 FFEDLO C=CC1(CC(=O)N2C[C@H]3C[N@H+](Cc4cnn(C)n4)C[C@@]3(C)C2)CCCCC1 ZINC001101390966 1024613784 /nfs/dbraw/zinc/61/37/84/1024613784.db2.gz YIBVBNFDBWKAHA-XLIONFOSSA-N 1 2 371.529 2.622 20 30 FFEDLO COc1cccc(-c2nn(C(C)(C)C)cc2C=NNC2=[NH+]C[C@H](C)N2)c1 ZINC000779782761 1024652765 /nfs/dbraw/zinc/65/27/65/1024652765.db2.gz HMGSYARCLBTABJ-ZDUSSCGKSA-N 1 2 354.458 2.585 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000193948282 1024717583 /nfs/dbraw/zinc/71/75/83/1024717583.db2.gz UBQRNJZVOKPSAJ-GOSISDBHSA-N 1 2 372.852 2.632 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000193948282 1024717595 /nfs/dbraw/zinc/71/75/95/1024717595.db2.gz UBQRNJZVOKPSAJ-GOSISDBHSA-N 1 2 372.852 2.632 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000193948263 1024717908 /nfs/dbraw/zinc/71/79/08/1024717908.db2.gz UBQRNJZVOKPSAJ-SFHVURJKSA-N 1 2 372.852 2.632 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000193948263 1024717920 /nfs/dbraw/zinc/71/79/20/1024717920.db2.gz UBQRNJZVOKPSAJ-SFHVURJKSA-N 1 2 372.852 2.632 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001101459231 1024797395 /nfs/dbraw/zinc/79/73/95/1024797395.db2.gz RTCBDRMHVDCYJU-MSOLQXFVSA-N 1 2 370.497 2.729 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C)o4)C[C@@]3(C)C2)CCCCC1 ZINC001101483049 1024859523 /nfs/dbraw/zinc/85/95/23/1024859523.db2.gz RBOOHXIMPFQAMZ-XLIONFOSSA-N 1 2 370.497 2.632 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C)o4)C[C@@]3(C)C2)CCCCC1 ZINC001101483049 1024859542 /nfs/dbraw/zinc/85/95/42/1024859542.db2.gz RBOOHXIMPFQAMZ-XLIONFOSSA-N 1 2 370.497 2.632 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001101986810 1025248302 /nfs/dbraw/zinc/24/83/02/1025248302.db2.gz MPXWMRARCCZBDE-DFBGVHRSSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001101986810 1025248312 /nfs/dbraw/zinc/24/83/12/1025248312.db2.gz MPXWMRARCCZBDE-DFBGVHRSSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001101986810 1025248321 /nfs/dbraw/zinc/24/83/21/1025248321.db2.gz MPXWMRARCCZBDE-DFBGVHRSSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001101986810 1025248331 /nfs/dbraw/zinc/24/83/31/1025248331.db2.gz MPXWMRARCCZBDE-DFBGVHRSSA-N 1 2 357.351 2.643 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H]1C[N@H+]([C@H](C)c2noc(C)n2)C[C@H]1C ZINC001102002577 1025281172 /nfs/dbraw/zinc/28/11/72/1025281172.db2.gz QOPPTULTFCMCEY-JTNHKYCSSA-N 1 2 354.882 2.902 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H]1C[N@@H+]([C@H](C)c2noc(C)n2)C[C@H]1C ZINC001102002577 1025281183 /nfs/dbraw/zinc/28/11/83/1025281183.db2.gz QOPPTULTFCMCEY-JTNHKYCSSA-N 1 2 354.882 2.902 20 30 FFEDLO C#CC[N@@H+](CC(=O)NCCCOc1ccccc1F)Cc1ccccc1 ZINC000796638526 1025371418 /nfs/dbraw/zinc/37/14/18/1025371418.db2.gz ABWDGQMGLASUTI-UHFFFAOYSA-N 1 2 354.425 2.846 20 30 FFEDLO C#CC[N@H+](CC(=O)NCCCOc1ccccc1F)Cc1ccccc1 ZINC000796638526 1025371437 /nfs/dbraw/zinc/37/14/37/1025371437.db2.gz ABWDGQMGLASUTI-UHFFFAOYSA-N 1 2 354.425 2.846 20 30 FFEDLO Cc1nc(N(CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)C)ccc1C#N ZINC001102149135 1025492809 /nfs/dbraw/zinc/49/28/09/1025492809.db2.gz CKPXLCPOOCHHJX-IAGOWNOFSA-N 1 2 366.469 2.510 20 30 FFEDLO Cc1nc(N(CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)C)ccc1C#N ZINC001102149135 1025492819 /nfs/dbraw/zinc/49/28/19/1025492819.db2.gz CKPXLCPOOCHHJX-IAGOWNOFSA-N 1 2 366.469 2.510 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001102262812 1025660471 /nfs/dbraw/zinc/66/04/71/1025660471.db2.gz MMGRXHKYKLRAMC-RRFJBIMHSA-N 1 2 366.531 2.723 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001102262812 1025660479 /nfs/dbraw/zinc/66/04/79/1025660479.db2.gz MMGRXHKYKLRAMC-RRFJBIMHSA-N 1 2 366.531 2.723 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2ncc(Cl)n2C)C[C@H]1C ZINC001102262946 1025660884 /nfs/dbraw/zinc/66/08/84/1025660884.db2.gz QDNMLFARTTUQGR-RBSFLKMASA-N 1 2 352.910 2.860 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ncc(Cl)n2C)C[C@H]1C ZINC001102262946 1025660891 /nfs/dbraw/zinc/66/08/91/1025660891.db2.gz QDNMLFARTTUQGR-RBSFLKMASA-N 1 2 352.910 2.860 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(NC(=O)c3ccc(C)cc3)CC2)nn1 ZINC000639364425 1026289319 /nfs/dbraw/zinc/28/93/19/1026289319.db2.gz YMFRNWKVQTZVKC-UHFFFAOYSA-N 1 2 353.470 2.557 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2cccc(C#N)c2F)CCCO1 ZINC000839136999 1026600953 /nfs/dbraw/zinc/60/09/53/1026600953.db2.gz WDZWPQLNHGQAEO-INIZCTEOSA-N 1 2 363.433 2.813 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C#N)c2F)CCCO1 ZINC000839136999 1026600956 /nfs/dbraw/zinc/60/09/56/1026600956.db2.gz WDZWPQLNHGQAEO-INIZCTEOSA-N 1 2 363.433 2.813 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000956411405 1026853739 /nfs/dbraw/zinc/85/37/39/1026853739.db2.gz BBZZQZQYEKUGOJ-CLCXKQKWSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000956411405 1026853748 /nfs/dbraw/zinc/85/37/48/1026853748.db2.gz BBZZQZQYEKUGOJ-CLCXKQKWSA-N 1 2 358.486 2.613 20 30 FFEDLO CN(C)C(=O)[C@H]1CCC[N@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141903204 1027122991 /nfs/dbraw/zinc/12/29/91/1027122991.db2.gz VQMBICLWPYXRGS-ZDUSSCGKSA-N 1 2 350.260 2.621 20 30 FFEDLO CN(C)C(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141903204 1027122998 /nfs/dbraw/zinc/12/29/98/1027122998.db2.gz VQMBICLWPYXRGS-ZDUSSCGKSA-N 1 2 350.260 2.621 20 30 FFEDLO N#Cc1ccc2cc[nH+]c(NCCNC(=O)c3ccc(Cl)cn3)c2c1 ZINC001159366978 1027369523 /nfs/dbraw/zinc/36/95/23/1027369523.db2.gz JHKLVWHBMHBJAX-UHFFFAOYSA-N 1 2 351.797 2.997 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1ncc(Cl)cc1C#N)C[NH2+]C2(C)C ZINC001159661419 1027459661 /nfs/dbraw/zinc/45/96/61/1027459661.db2.gz MSMFJIOPUBEDEX-UHFFFAOYSA-N 1 2 360.805 2.890 20 30 FFEDLO CC(C)C[C@@H](NC(=O)CO[NH+]=C(N)Cc1cccnc1)c1ccccc1 ZINC000092914478 1027505308 /nfs/dbraw/zinc/50/53/08/1027505308.db2.gz KOGOAKWHVOJOMK-GOSISDBHSA-N 1 2 354.454 2.817 20 30 FFEDLO CCOc1ccccc1[C@@H](CC)NC(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000092916187 1027507090 /nfs/dbraw/zinc/50/70/90/1027507090.db2.gz IKFCBFHWXZYRCT-QGZVFWFLSA-N 1 2 370.453 2.579 20 30 FFEDLO Cc1nsc(NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCCC2)c1C#N ZINC001103470373 1027554477 /nfs/dbraw/zinc/55/44/77/1027554477.db2.gz QFJUGKRWTJCMEO-CHWSQXEVSA-N 1 2 370.482 2.691 20 30 FFEDLO Cc1nsc(NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCCC2)c1C#N ZINC001103470373 1027554489 /nfs/dbraw/zinc/55/44/89/1027554489.db2.gz QFJUGKRWTJCMEO-CHWSQXEVSA-N 1 2 370.482 2.691 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCC1=CC[N@H+](Cc2cc(C)on2)CC1 ZINC001160156945 1027615288 /nfs/dbraw/zinc/61/52/88/1027615288.db2.gz ZTCISSCCHLUGHJ-MOPGFXCFSA-N 1 2 359.470 2.603 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCC1=CC[N@@H+](Cc2cc(C)on2)CC1 ZINC001160156945 1027615298 /nfs/dbraw/zinc/61/52/98/1027615298.db2.gz ZTCISSCCHLUGHJ-MOPGFXCFSA-N 1 2 359.470 2.603 20 30 FFEDLO COC(=O)[C@@H]([NH3+])CC(=O)N(Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001160952618 1027944639 /nfs/dbraw/zinc/94/46/39/1027944639.db2.gz WQJWJTWNVXJKQH-KXBFYZLASA-N 1 2 365.433 2.538 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1=CC[N@H+]([C@H](C)c2ncccn2)CC1 ZINC001161472179 1028193908 /nfs/dbraw/zinc/19/39/08/1028193908.db2.gz PEQZTJSYSYHBRT-NEWSRXKRSA-N 1 2 370.497 2.657 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1=CC[N@@H+]([C@H](C)c2ncccn2)CC1 ZINC001161472179 1028193918 /nfs/dbraw/zinc/19/39/18/1028193918.db2.gz PEQZTJSYSYHBRT-NEWSRXKRSA-N 1 2 370.497 2.657 20 30 FFEDLO Cc1cc(Br)cn2cc(CCNc3cncc(C#N)n3)[nH+]c12 ZINC001163026727 1028763042 /nfs/dbraw/zinc/76/30/42/1028763042.db2.gz XZVQNVKSMNROIO-UHFFFAOYSA-N 1 2 357.215 2.722 20 30 FFEDLO COc1cccc(C[NH+]2CCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)c1 ZINC001163952253 1029124993 /nfs/dbraw/zinc/12/49/93/1029124993.db2.gz AJZDYTFJMTYVRM-UHFFFAOYSA-N 1 2 352.394 2.797 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(C3CC3)nn1C)C2 ZINC001111848515 1029613003 /nfs/dbraw/zinc/61/30/03/1029613003.db2.gz JPSOUPVOQWXKDS-KUDFPVQQSA-N 1 2 371.529 2.766 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(C3CC3)nn1C)C2 ZINC001111848515 1029613010 /nfs/dbraw/zinc/61/30/10/1029613010.db2.gz JPSOUPVOQWXKDS-KUDFPVQQSA-N 1 2 371.529 2.766 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc([C@H](C)OC)no1)C2 ZINC001111855823 1029626642 /nfs/dbraw/zinc/62/66/42/1029626642.db2.gz NUWZSDUVDMPPKL-DOXZYTNZSA-N 1 2 362.474 2.604 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc([C@H](C)OC)no1)C2 ZINC001111855823 1029626646 /nfs/dbraw/zinc/62/66/46/1029626646.db2.gz NUWZSDUVDMPPKL-DOXZYTNZSA-N 1 2 362.474 2.604 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1C#N ZINC000782623641 1029766595 /nfs/dbraw/zinc/76/65/95/1029766595.db2.gz ZTZQENSPJUTXAG-IERDGZPVSA-N 1 2 370.497 2.735 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1C#N ZINC000782623641 1029766606 /nfs/dbraw/zinc/76/66/06/1029766606.db2.gz ZTZQENSPJUTXAG-IERDGZPVSA-N 1 2 370.497 2.735 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](Nc2c(C#N)c(Cl)nc3ccc(F)c(C)c32)C[NH2+]1 ZINC001158259374 1029775284 /nfs/dbraw/zinc/77/52/84/1029775284.db2.gz JRUKWILUHDRBFN-RNCFNFMXSA-N 1 2 362.792 2.523 20 30 FFEDLO C=C[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnns1)C2)c1ccccc1 ZINC001111996034 1029844898 /nfs/dbraw/zinc/84/48/98/1029844898.db2.gz HBZVUEWZNCICKM-QRFRQXIXSA-N 1 2 368.506 2.979 20 30 FFEDLO C=C[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnns1)C2)c1ccccc1 ZINC001111996034 1029844904 /nfs/dbraw/zinc/84/49/04/1029844904.db2.gz HBZVUEWZNCICKM-QRFRQXIXSA-N 1 2 368.506 2.979 20 30 FFEDLO C=CCCC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001112104701 1030015784 /nfs/dbraw/zinc/01/57/84/1030015784.db2.gz ZQQKOZDKALJLON-OPRDCNLKSA-N 1 2 350.278 2.832 20 30 FFEDLO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001112104701 1030015798 /nfs/dbraw/zinc/01/57/98/1030015798.db2.gz ZQQKOZDKALJLON-OPRDCNLKSA-N 1 2 350.278 2.832 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001112152165 1030108447 /nfs/dbraw/zinc/10/84/47/1030108447.db2.gz LRELLLXILGNPDX-BPLDGKMQSA-N 1 2 358.408 2.501 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CC[N@@H+](Cc3nc4ccc(OC)cc4[nH]3)C2)C1=O ZINC001276407520 1030645691 /nfs/dbraw/zinc/64/56/91/1030645691.db2.gz WPZZCZIRYUVWDX-HXUWFJFHSA-N 1 2 354.454 2.572 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3nc4ccc(OC)cc4[nH]3)C2)C1=O ZINC001276407520 1030645704 /nfs/dbraw/zinc/64/57/04/1030645704.db2.gz WPZZCZIRYUVWDX-HXUWFJFHSA-N 1 2 354.454 2.572 20 30 FFEDLO COc1cc(OC)c(OC)cc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001203495474 1030727139 /nfs/dbraw/zinc/72/71/39/1030727139.db2.gz SUNVXPXWQZAOHF-UHFFFAOYSA-N 1 2 367.449 2.906 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)cc1 ZINC001203900998 1030968312 /nfs/dbraw/zinc/96/83/12/1030968312.db2.gz BYSRBZKNXCTKDS-GBESFXJTSA-N 1 2 353.397 2.903 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)cc1 ZINC001203900998 1030968321 /nfs/dbraw/zinc/96/83/21/1030968321.db2.gz BYSRBZKNXCTKDS-GBESFXJTSA-N 1 2 353.397 2.903 20 30 FFEDLO N#Cc1cc(F)cc(C2(C(=O)OCC3CN(c4cccc[nH+]4)C3)CC2)c1 ZINC000842883433 1031018806 /nfs/dbraw/zinc/01/88/06/1031018806.db2.gz IJDOENUERVZDSC-UHFFFAOYSA-N 1 2 351.381 2.804 20 30 FFEDLO CCOc1cc(NC2CC[NH+](Cc3cccc(F)c3C#N)CC2)ncn1 ZINC001205238762 1031619166 /nfs/dbraw/zinc/61/91/66/1031619166.db2.gz WTHXAUFSYPYRAF-UHFFFAOYSA-N 1 2 355.417 2.963 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]Cc2csnn2)C1 ZINC001205386347 1031701188 /nfs/dbraw/zinc/70/11/88/1031701188.db2.gz LCZRDFVZLKHGLC-DLBZAZTESA-N 1 2 360.458 2.728 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3OCC)C[C@H]2C)nc1 ZINC000799427190 1031771438 /nfs/dbraw/zinc/77/14/38/1031771438.db2.gz XFIWCZAQVZYVPL-QGZVFWFLSA-N 1 2 363.461 2.808 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3OCC)C[C@H]2C)nc1 ZINC000799427190 1031771455 /nfs/dbraw/zinc/77/14/55/1031771455.db2.gz XFIWCZAQVZYVPL-QGZVFWFLSA-N 1 2 363.461 2.808 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)/C=C/c1ccco1 ZINC001205759608 1031977820 /nfs/dbraw/zinc/97/78/20/1031977820.db2.gz FNKZMQATGAOWKY-UAIYZZEASA-N 1 2 353.397 2.940 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)/C=C/c1ccco1 ZINC001205759608 1031977829 /nfs/dbraw/zinc/97/78/29/1031977829.db2.gz FNKZMQATGAOWKY-UAIYZZEASA-N 1 2 353.397 2.940 20 30 FFEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](CC(=O)c1ccc(OC)cc1)CC2 ZINC001276868404 1033314049 /nfs/dbraw/zinc/31/40/49/1033314049.db2.gz LSTWKHYCWYLMEV-GOSISDBHSA-N 1 2 356.466 2.672 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001223315056 1033387339 /nfs/dbraw/zinc/38/73/39/1033387339.db2.gz JQOIECATHYGZPZ-INMHGKMJSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001223315056 1033387357 /nfs/dbraw/zinc/38/73/57/1033387357.db2.gz JQOIECATHYGZPZ-INMHGKMJSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cnn2ccc(Cl)nc12 ZINC001276916017 1033571293 /nfs/dbraw/zinc/57/12/93/1033571293.db2.gz ZBAFTEGRJRROIP-LJQANCHMSA-N 1 2 373.888 2.916 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cnn2ccc(Cl)nc12 ZINC001276916017 1033571298 /nfs/dbraw/zinc/57/12/98/1033571298.db2.gz ZBAFTEGRJRROIP-LJQANCHMSA-N 1 2 373.888 2.916 20 30 FFEDLO N#CCC[NH+]1CCC2(C[C@@H]2C(=O)NCCCOCc2ccccc2)CC1 ZINC001276949518 1033734173 /nfs/dbraw/zinc/73/41/73/1033734173.db2.gz SLUPXRJWKIQVHM-LJQANCHMSA-N 1 2 355.482 2.725 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3c2cc(F)cc3F)C[C@@H]1O ZINC001220133616 1034000226 /nfs/dbraw/zinc/00/02/26/1034000226.db2.gz HODINKIRAVEHPL-KURKYZTESA-N 1 2 364.436 2.716 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3c2cc(F)cc3F)C[C@@H]1O ZINC001220133616 1034000241 /nfs/dbraw/zinc/00/02/41/1034000241.db2.gz HODINKIRAVEHPL-KURKYZTESA-N 1 2 364.436 2.716 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@@H]1O ZINC001220147613 1034003727 /nfs/dbraw/zinc/00/37/27/1034003727.db2.gz GIBXURAAXXVTHC-LYRGGWFBSA-N 1 2 354.853 2.914 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@@H]1O ZINC001220147613 1034003742 /nfs/dbraw/zinc/00/37/42/1034003742.db2.gz GIBXURAAXXVTHC-LYRGGWFBSA-N 1 2 354.853 2.914 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc3ccccc3o2)C[C@@H]1O ZINC001220146470 1034004983 /nfs/dbraw/zinc/00/49/83/1034004983.db2.gz HMZMOTZXFPKJSR-JQHSSLGASA-N 1 2 369.465 2.634 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc3ccccc3o2)C[C@@H]1O ZINC001220146470 1034004997 /nfs/dbraw/zinc/00/49/97/1034004997.db2.gz HMZMOTZXFPKJSR-JQHSSLGASA-N 1 2 369.465 2.634 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3csc(C#N)c3)C2)c1 ZINC001535553278 1069833178 /nfs/dbraw/zinc/83/31/78/1069833178.db2.gz QFXHNVBZSUNYLB-QGZVFWFLSA-N 1 2 355.463 2.559 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3csc(C#N)c3)C2)c1 ZINC001535553278 1069833193 /nfs/dbraw/zinc/83/31/93/1069833193.db2.gz QFXHNVBZSUNYLB-QGZVFWFLSA-N 1 2 355.463 2.559 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](CC)c2ccc(F)cc2F)C[C@@H]1O ZINC001220185491 1034030364 /nfs/dbraw/zinc/03/03/64/1034030364.db2.gz DHDIYWHPOPLSBJ-QRVBRYPASA-N 1 2 364.436 2.771 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)c2ccc(F)cc2F)C[C@@H]1O ZINC001220185491 1034030381 /nfs/dbraw/zinc/03/03/81/1034030381.db2.gz DHDIYWHPOPLSBJ-QRVBRYPASA-N 1 2 364.436 2.771 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)c(OC)c2)C[C@@H]1O ZINC001220435760 1034174506 /nfs/dbraw/zinc/17/45/06/1034174506.db2.gz LIMJRHXMIDTBCE-CVEARBPZSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(OC)c2)C[C@@H]1O ZINC001220435760 1034174512 /nfs/dbraw/zinc/17/45/12/1034174512.db2.gz LIMJRHXMIDTBCE-CVEARBPZSA-N 1 2 366.889 2.612 20 30 FFEDLO COC(=O)c1ccc(C(=[NH2+])NC(O)=C2CCC[C@H](c3ccccc3)N2)cc1 ZINC001220581907 1034269358 /nfs/dbraw/zinc/26/93/58/1034269358.db2.gz XSYRJGUTRIKVPN-QZTJIDSGSA-N 1 2 365.433 2.589 20 30 FFEDLO CC[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O)C(C)(C)C ZINC001220749592 1034375352 /nfs/dbraw/zinc/37/53/52/1034375352.db2.gz ULYWTDNMMIBYBJ-OTWHNJEPSA-N 1 2 357.498 2.682 20 30 FFEDLO CC[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O)C(C)(C)C ZINC001220749592 1034375367 /nfs/dbraw/zinc/37/53/67/1034375367.db2.gz ULYWTDNMMIBYBJ-OTWHNJEPSA-N 1 2 357.498 2.682 20 30 FFEDLO CCCCC[C@H](CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001221035832 1034514088 /nfs/dbraw/zinc/51/40/88/1034514088.db2.gz TYMOWGRVKNOBOU-HBMCJLEFSA-N 1 2 356.510 2.806 20 30 FFEDLO CCCCC[C@H](CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001221035832 1034514093 /nfs/dbraw/zinc/51/40/93/1034514093.db2.gz TYMOWGRVKNOBOU-HBMCJLEFSA-N 1 2 356.510 2.806 20 30 FFEDLO CCCSCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221349054 1034686034 /nfs/dbraw/zinc/68/60/34/1034686034.db2.gz XZNUSZBYKWRUDY-SJLPKXTDSA-N 1 2 361.486 2.873 20 30 FFEDLO CCCSCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221349054 1034686039 /nfs/dbraw/zinc/68/60/39/1034686039.db2.gz XZNUSZBYKWRUDY-SJLPKXTDSA-N 1 2 361.486 2.873 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C[C@H]21 ZINC001221421590 1034735273 /nfs/dbraw/zinc/73/52/73/1034735273.db2.gz BPCNJXFJWFJBBX-IDHHARJASA-N 1 2 364.436 2.979 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C[C@H]21 ZINC001221421590 1034735284 /nfs/dbraw/zinc/73/52/84/1034735284.db2.gz BPCNJXFJWFJBBX-IDHHARJASA-N 1 2 364.436 2.979 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccncc3Cl)C[C@H]21 ZINC001221421781 1034735307 /nfs/dbraw/zinc/73/53/07/1034735307.db2.gz HPTXSXSEQUKUOA-YXJHDRRASA-N 1 2 363.889 2.749 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccncc3Cl)C[C@H]21 ZINC001221421781 1034735320 /nfs/dbraw/zinc/73/53/20/1034735320.db2.gz HPTXSXSEQUKUOA-YXJHDRRASA-N 1 2 363.889 2.749 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221423771 1034738366 /nfs/dbraw/zinc/73/83/66/1034738366.db2.gz QXVUKWPRDVREIC-WRWLIDTKSA-N 1 2 371.456 2.711 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221423771 1034738378 /nfs/dbraw/zinc/73/83/78/1034738378.db2.gz QXVUKWPRDVREIC-WRWLIDTKSA-N 1 2 371.456 2.711 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](Cc3nc(-c4ccccc4)no3)C[C@H]21 ZINC001221428991 1034748275 /nfs/dbraw/zinc/74/82/75/1034748275.db2.gz CFSROJYINDAUEV-IAGOWNOFSA-N 1 2 352.438 2.736 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](Cc3nc(-c4ccccc4)no3)C[C@H]21 ZINC001221428991 1034748290 /nfs/dbraw/zinc/74/82/90/1034748290.db2.gz CFSROJYINDAUEV-IAGOWNOFSA-N 1 2 352.438 2.736 20 30 FFEDLO CC[C@H](C)OCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221485580 1034809196 /nfs/dbraw/zinc/80/91/96/1034809196.db2.gz DSRKNBMAPBKARC-ZSZQSSIHSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@H](C)OCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221485580 1034809206 /nfs/dbraw/zinc/80/92/06/1034809206.db2.gz DSRKNBMAPBKARC-ZSZQSSIHSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H](C)OCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221486454 1034811015 /nfs/dbraw/zinc/81/10/15/1034811015.db2.gz WCTIDNNVPAGCPK-LSBZLQRGSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H](C)OCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221486454 1034811026 /nfs/dbraw/zinc/81/10/26/1034811026.db2.gz WCTIDNNVPAGCPK-LSBZLQRGSA-N 1 2 359.445 2.545 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3)C[C@H]21 ZINC001221518159 1034836187 /nfs/dbraw/zinc/83/61/87/1034836187.db2.gz VPOASVAUCNIMMF-BJZITVGISA-N 1 2 366.864 2.839 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(Cl)c3)C[C@H]21 ZINC001221518159 1034836195 /nfs/dbraw/zinc/83/61/95/1034836195.db2.gz VPOASVAUCNIMMF-BJZITVGISA-N 1 2 366.864 2.839 20 30 FFEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC001221544914 1034863334 /nfs/dbraw/zinc/86/33/34/1034863334.db2.gz NDGZXKDKHGIGKQ-RHSMWYFYSA-N 1 2 364.848 2.552 20 30 FFEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC001221544914 1034863341 /nfs/dbraw/zinc/86/33/41/1034863341.db2.gz NDGZXKDKHGIGKQ-RHSMWYFYSA-N 1 2 364.848 2.552 20 30 FFEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1n[nH]cc1Br)C2 ZINC001139023625 1034890547 /nfs/dbraw/zinc/89/05/47/1034890547.db2.gz PPMMHXOPHMIRNS-CVEARBPZSA-N 1 2 370.291 2.746 20 30 FFEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1n[nH]cc1Br)C2 ZINC001139023625 1034890553 /nfs/dbraw/zinc/89/05/53/1034890553.db2.gz PPMMHXOPHMIRNS-CVEARBPZSA-N 1 2 370.291 2.746 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4ccccc4s3)[C@@H]2C1 ZINC001221673906 1034973979 /nfs/dbraw/zinc/97/39/79/1034973979.db2.gz JMFGMYYRXUQJRE-IAGOWNOFSA-N 1 2 354.475 2.697 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4ccccc4s3)[C@@H]2C1 ZINC001221673906 1034973983 /nfs/dbraw/zinc/97/39/83/1034973983.db2.gz JMFGMYYRXUQJRE-IAGOWNOFSA-N 1 2 354.475 2.697 20 30 FFEDLO N#Cc1ccccc1/C=C\C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000832796737 1034975843 /nfs/dbraw/zinc/97/58/43/1034975843.db2.gz UPIBAAZQEFIRAX-XPTLAUCJSA-N 1 2 361.445 2.589 20 30 FFEDLO N#Cc1ccccc1/C=C\C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000832796737 1034975850 /nfs/dbraw/zinc/97/58/50/1034975850.db2.gz UPIBAAZQEFIRAX-XPTLAUCJSA-N 1 2 361.445 2.589 20 30 FFEDLO O=C(N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21)C1(CCF)CC1 ZINC001221707641 1034999023 /nfs/dbraw/zinc/99/90/23/1034999023.db2.gz LMVHWJDNOJHQGP-IEBWSBKVSA-N 1 2 358.432 2.850 20 30 FFEDLO O=C(N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21)C1(CCF)CC1 ZINC001221707641 1034999030 /nfs/dbraw/zinc/99/90/30/1034999030.db2.gz LMVHWJDNOJHQGP-IEBWSBKVSA-N 1 2 358.432 2.850 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3csnc3OC)C[C@H]21 ZINC001221740574 1035030084 /nfs/dbraw/zinc/03/00/84/1035030084.db2.gz BXEZKMQKILAJCB-NVXWUHKLSA-N 1 2 361.511 2.768 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2CC[N@H+](Cc3csnc3OC)C[C@H]21 ZINC001221740574 1035030087 /nfs/dbraw/zinc/03/00/87/1035030087.db2.gz BXEZKMQKILAJCB-NVXWUHKLSA-N 1 2 361.511 2.768 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC(CC)CC)C[C@H]32)CCC1 ZINC001221798047 1035078153 /nfs/dbraw/zinc/07/81/53/1035078153.db2.gz SWGIUSGBXMIZNB-SJLPKXTDSA-N 1 2 361.530 2.570 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](CC(=O)NC(CC)CC)C[C@H]32)CCC1 ZINC001221798047 1035078160 /nfs/dbraw/zinc/07/81/60/1035078160.db2.gz SWGIUSGBXMIZNB-SJLPKXTDSA-N 1 2 361.530 2.570 20 30 FFEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2c3ccccc3[nH]c2C(=O)OC)CC1 ZINC001139399744 1035089627 /nfs/dbraw/zinc/08/96/27/1035089627.db2.gz SYYSVVYMRCOPDL-UHFFFAOYSA-N 1 2 369.421 2.623 20 30 FFEDLO COC(=O)CC[C@H]1COCC[N@@H+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139404614 1035091871 /nfs/dbraw/zinc/09/18/71/1035091871.db2.gz QUIQTPUGPOEUKO-IBGZPJMESA-N 1 2 365.433 2.774 20 30 FFEDLO COC(=O)CC[C@H]1COCC[N@H+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139404614 1035091878 /nfs/dbraw/zinc/09/18/78/1035091878.db2.gz QUIQTPUGPOEUKO-IBGZPJMESA-N 1 2 365.433 2.774 20 30 FFEDLO N#Cc1cccc2c(C[NH+]3CCN(C(=O)Cc4ccccc4)CC3)c[nH]c21 ZINC001139706613 1035202952 /nfs/dbraw/zinc/20/29/52/1035202952.db2.gz BCXNREDMFAPMHS-UHFFFAOYSA-N 1 2 358.445 2.926 20 30 FFEDLO C=CCn1cc(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)cn1 ZINC001139771372 1035227029 /nfs/dbraw/zinc/22/70/29/1035227029.db2.gz BIZNWUPJAHYYJE-BHIYHBOVSA-N 1 2 354.454 2.523 20 30 FFEDLO C=CCn1cc(C[N@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)cn1 ZINC001139771372 1035227032 /nfs/dbraw/zinc/22/70/32/1035227032.db2.gz BIZNWUPJAHYYJE-BHIYHBOVSA-N 1 2 354.454 2.523 20 30 FFEDLO C#CCn1ccc(C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CCOC)n1 ZINC000835055376 1035494154 /nfs/dbraw/zinc/49/41/54/1035494154.db2.gz ZBEZTVBBUSRTAH-SREVYHEPSA-N 1 2 352.482 2.744 20 30 FFEDLO C#CCn1ccc(C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CCOC)n1 ZINC000835055376 1035494158 /nfs/dbraw/zinc/49/41/58/1035494158.db2.gz ZBEZTVBBUSRTAH-SREVYHEPSA-N 1 2 352.482 2.744 20 30 FFEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cc(Cl)c(OC)cc2O)CC1 ZINC001232267903 1035537933 /nfs/dbraw/zinc/53/79/33/1035537933.db2.gz JNXGQKDUSJHMSU-UHFFFAOYSA-N 1 2 352.818 2.723 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cc(C)c(OC)nc2OC)C1=O ZINC001277215025 1035586505 /nfs/dbraw/zinc/58/65/05/1035586505.db2.gz VAVITKNQTWXRNA-HXUWFJFHSA-N 1 2 359.470 2.550 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(C)c(OC)nc2OC)C1=O ZINC001277215025 1035586521 /nfs/dbraw/zinc/58/65/21/1035586521.db2.gz VAVITKNQTWXRNA-HXUWFJFHSA-N 1 2 359.470 2.550 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C#N)nc2)Cc2nn(CC3CC3)cc21 ZINC001140541498 1035595578 /nfs/dbraw/zinc/59/55/78/1035595578.db2.gz JHHWSEBBJNEGFJ-KRWDZBQOSA-N 1 2 351.454 2.696 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C#N)nc2)Cc2nn(CC3CC3)cc21 ZINC001140541498 1035595590 /nfs/dbraw/zinc/59/55/90/1035595590.db2.gz JHHWSEBBJNEGFJ-KRWDZBQOSA-N 1 2 351.454 2.696 20 30 FFEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)c1 ZINC001140604197 1035710963 /nfs/dbraw/zinc/71/09/63/1035710963.db2.gz UEBZPFFWUSWIOI-QGZVFWFLSA-N 1 2 361.873 2.719 20 30 FFEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)c1 ZINC001140604197 1035710979 /nfs/dbraw/zinc/71/09/79/1035710979.db2.gz UEBZPFFWUSWIOI-QGZVFWFLSA-N 1 2 361.873 2.719 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2C[C@@H]3CN(C(=O)c4ccsc4)C[C@H]3C2)c1 ZINC001232678001 1035937362 /nfs/dbraw/zinc/93/73/62/1035937362.db2.gz TUIMEUGNYCQVKV-IAGOWNOFSA-N 1 2 353.447 2.529 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3O)C[C@@H]21 ZINC001232681903 1035940072 /nfs/dbraw/zinc/94/00/72/1035940072.db2.gz XKZZLWSUSCITSA-BHYGNILZSA-N 1 2 357.454 2.999 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3O)C[C@@H]21 ZINC001232681903 1035940083 /nfs/dbraw/zinc/94/00/83/1035940083.db2.gz XKZZLWSUSCITSA-BHYGNILZSA-N 1 2 357.454 2.999 20 30 FFEDLO N#Cc1c(F)cc(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3COC[C@H]32)cc1F ZINC001140751836 1036060375 /nfs/dbraw/zinc/06/03/75/1036060375.db2.gz IFOUAPROJIRPHG-PWIZWCRZSA-N 1 2 371.387 2.647 20 30 FFEDLO N#Cc1c(F)cc(C[N@H+]2C[C@@H](OCc3cccnc3)[C@H]3COC[C@H]32)cc1F ZINC001140751836 1036060389 /nfs/dbraw/zinc/06/03/89/1036060389.db2.gz IFOUAPROJIRPHG-PWIZWCRZSA-N 1 2 371.387 2.647 20 30 FFEDLO CCN(CC)C(=O)NC1CC[NH+](Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140755917 1036070120 /nfs/dbraw/zinc/07/01/20/1036070120.db2.gz YWBQRONLUANRGE-UHFFFAOYSA-N 1 2 350.413 2.852 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@@H+](C[C@H](O)CCCCCCCC)C[C@@]2(F)C1=O ZINC001277735295 1036158709 /nfs/dbraw/zinc/15/87/09/1036158709.db2.gz RPHZPQDRORJKQA-NZSAHSFTSA-N 1 2 358.473 2.858 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@H+](C[C@H](O)CCCCCCCC)C[C@@]2(F)C1=O ZINC001277735295 1036158719 /nfs/dbraw/zinc/15/87/19/1036158719.db2.gz RPHZPQDRORJKQA-NZSAHSFTSA-N 1 2 358.473 2.858 20 30 FFEDLO CCCCCCCC[C@H](O)C[NH+]1CC2(C1)CN([C@@H](C)CC)C(=O)CO2 ZINC001277735261 1036159142 /nfs/dbraw/zinc/15/91/42/1036159142.db2.gz RCUDULBZTLPMMV-ROUUACIJSA-N 1 2 354.535 2.810 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)c4sccc4Cl)C3)C2)cc1C#N ZINC001277741668 1036194023 /nfs/dbraw/zinc/19/40/23/1036194023.db2.gz MLSFZVRSKGSIOX-UHFFFAOYSA-N 1 2 360.870 2.570 20 30 FFEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1ccc(C#N)cc1C ZINC001233079252 1036328168 /nfs/dbraw/zinc/32/81/68/1036328168.db2.gz AORNXFPCCFTCCM-FQEVSTJZSA-N 1 2 365.481 2.880 20 30 FFEDLO COc1cc2c(Cl)c(C#N)cnc2cc1O[C@H](C)C[NH+]1CCOCC1 ZINC001229106158 1036498730 /nfs/dbraw/zinc/49/87/30/1036498730.db2.gz JVSVJISLBOHJRT-GFCCVEGCSA-N 1 2 361.829 2.868 20 30 FFEDLO Cn1cc2c(n1)C[N@@H+](Cc1ccc(C#N)cc1O)C[C@@H]2COCC1CC1 ZINC001233385076 1036583899 /nfs/dbraw/zinc/58/38/99/1036583899.db2.gz TZDQAILCEPILGF-QGZVFWFLSA-N 1 2 352.438 2.523 20 30 FFEDLO Cn1cc2c(n1)C[N@H+](Cc1ccc(C#N)cc1O)C[C@@H]2COCC1CC1 ZINC001233385076 1036583921 /nfs/dbraw/zinc/58/39/21/1036583921.db2.gz TZDQAILCEPILGF-QGZVFWFLSA-N 1 2 352.438 2.523 20 30 FFEDLO N#CCCCN1CC[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001277386761 1036669549 /nfs/dbraw/zinc/66/95/49/1036669549.db2.gz AEURYWPFURLFIA-GOSISDBHSA-N 1 2 365.836 2.913 20 30 FFEDLO N#CCCCN1CC[C@@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001277386761 1036669555 /nfs/dbraw/zinc/66/95/55/1036669555.db2.gz AEURYWPFURLFIA-GOSISDBHSA-N 1 2 365.836 2.913 20 30 FFEDLO C=C(C)CN1CC2(C[NH+](Cc3ccc(C(C)(C)C)cc3O)C2)OCC1=O ZINC001277398808 1036742875 /nfs/dbraw/zinc/74/28/75/1036742875.db2.gz MUADBFRBIIPYIW-UHFFFAOYSA-N 1 2 358.482 2.679 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(F)(F)C(F)F)nc1 ZINC001229787400 1036895773 /nfs/dbraw/zinc/89/57/73/1036895773.db2.gz ULSUCPMPISZFCN-CHWSQXEVSA-N 1 2 357.351 2.594 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3cc(Cl)c(Cl)cc3O)C2)OCC1=O ZINC001277829668 1036906898 /nfs/dbraw/zinc/90/68/98/1036906898.db2.gz GWWXGMIKZIICEE-KRWDZBQOSA-N 1 2 371.264 2.688 20 30 FFEDLO COC(=O)c1c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cnc2ccc(Cl)cc21 ZINC001229876010 1036953338 /nfs/dbraw/zinc/95/33/38/1036953338.db2.gz DOIHAEIBXUOETB-ZJARZTPLSA-N 1 2 374.824 2.666 20 30 FFEDLO COC(=O)c1c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cnc2ccc(Cl)cc21 ZINC001229876010 1036953350 /nfs/dbraw/zinc/95/33/50/1036953350.db2.gz DOIHAEIBXUOETB-ZJARZTPLSA-N 1 2 374.824 2.666 20 30 FFEDLO C=C(C)CN1CC2(C[NH+](Cc3cc4ccccc4cc3O)C2)OCC1=O ZINC001277848510 1036992866 /nfs/dbraw/zinc/99/28/66/1036992866.db2.gz FOEXQRWJSQHSBQ-UHFFFAOYSA-N 1 2 352.434 2.535 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@]23CCN(CCC(F)(F)F)C3=O)c1 ZINC001277849930 1037006474 /nfs/dbraw/zinc/00/64/74/1037006474.db2.gz JSKRKZXDMGKAAL-QGZVFWFLSA-N 1 2 367.371 2.783 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@]23CCN(CCC(F)(F)F)C3=O)c1 ZINC001277849930 1037006496 /nfs/dbraw/zinc/00/64/96/1037006496.db2.gz JSKRKZXDMGKAAL-QGZVFWFLSA-N 1 2 367.371 2.783 20 30 FFEDLO CCCCCCCC(C)(C)C(=O)N1C[C@@H](C(N)=O)[C@H](c2cn(C)c[nH+]2)C1 ZINC001277858551 1037048176 /nfs/dbraw/zinc/04/81/76/1037048176.db2.gz USWNESRUOFGLSO-HZPDHXFCSA-N 1 2 362.518 2.834 20 30 FFEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1n[nH]c3ccc(F)cc13)CC2 ZINC001276512382 1037206685 /nfs/dbraw/zinc/20/66/85/1037206685.db2.gz VUNDOESWTPMQAN-MRXNPFEDSA-N 1 2 356.445 2.996 20 30 FFEDLO C=C(Cl)C[N@@H+](CCCNC(=O)[C@H]1CC[C@@H](C)O1)Cc1cccnc1 ZINC001230856459 1037377308 /nfs/dbraw/zinc/37/73/08/1037377308.db2.gz WUDIQCXSXZEPHR-NVXWUHKLSA-N 1 2 351.878 2.710 20 30 FFEDLO C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1CC[C@@H](C)O1)Cc1cccnc1 ZINC001230856459 1037377322 /nfs/dbraw/zinc/37/73/22/1037377322.db2.gz WUDIQCXSXZEPHR-NVXWUHKLSA-N 1 2 351.878 2.710 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c(O)ccc(Cc4ccccc4)c3O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001231308377 1037530223 /nfs/dbraw/zinc/53/02/23/1037530223.db2.gz KLGROQPYVJETQA-DAQCULIYSA-N 1 2 353.418 2.680 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(O)ccc(Cc4ccccc4)c3O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001231308377 1037530229 /nfs/dbraw/zinc/53/02/29/1037530229.db2.gz KLGROQPYVJETQA-DAQCULIYSA-N 1 2 353.418 2.680 20 30 FFEDLO CC(C)(C)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C#N)s1 ZINC001277944008 1037539479 /nfs/dbraw/zinc/53/94/79/1037539479.db2.gz GDSZRUWGTDVIBC-HZPDHXFCSA-N 1 2 359.495 2.800 20 30 FFEDLO CC(C)(C)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C#N)s1 ZINC001277944008 1037539494 /nfs/dbraw/zinc/53/94/94/1037539494.db2.gz GDSZRUWGTDVIBC-HZPDHXFCSA-N 1 2 359.495 2.800 20 30 FFEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2cccc3c2OCCO3)CC1 ZINC001231619918 1037743996 /nfs/dbraw/zinc/74/39/96/1037743996.db2.gz LXFKZELSRKRIQZ-UHFFFAOYSA-N 1 2 365.433 2.660 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cnc(F)c(C)c2)Cc2nnn(CC3CC3)c21 ZINC001231925578 1038019816 /nfs/dbraw/zinc/01/98/16/1038019816.db2.gz XNJKKYIURVQUPR-KRWDZBQOSA-N 1 2 371.460 2.833 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](Cc2cnc(F)c(C)c2)Cc2nnn(CC3CC3)c21 ZINC001231925578 1038019838 /nfs/dbraw/zinc/01/98/38/1038019838.db2.gz XNJKKYIURVQUPR-KRWDZBQOSA-N 1 2 371.460 2.833 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](CC(=C)Br)C[C@H]1C ZINC001208129271 1038066857 /nfs/dbraw/zinc/06/68/57/1038066857.db2.gz PLWWZKZKQGAOQG-XNRPHZJLSA-N 1 2 359.308 2.560 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](CC(=C)Br)C[C@H]1C ZINC001208129271 1038066879 /nfs/dbraw/zinc/06/68/79/1038066879.db2.gz PLWWZKZKQGAOQG-XNRPHZJLSA-N 1 2 359.308 2.560 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001208128892 1038070582 /nfs/dbraw/zinc/07/05/82/1038070582.db2.gz KPIOSHMSAQYIGL-MRRJBJDNSA-N 1 2 371.934 2.962 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001208128892 1038070605 /nfs/dbraw/zinc/07/06/05/1038070605.db2.gz KPIOSHMSAQYIGL-MRRJBJDNSA-N 1 2 371.934 2.962 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc3n(n2)CCCC3)C[C@H]1C ZINC001208315273 1038207272 /nfs/dbraw/zinc/20/72/72/1038207272.db2.gz RTULREFLVQDBMP-YLJYHZDGSA-N 1 2 356.514 2.740 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cc3n(n2)CCCC3)C[C@H]1C ZINC001208315273 1038207285 /nfs/dbraw/zinc/20/72/85/1038207285.db2.gz RTULREFLVQDBMP-YLJYHZDGSA-N 1 2 356.514 2.740 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cnc(F)c(OC(C)C)c1 ZINC001277623207 1038221913 /nfs/dbraw/zinc/22/19/13/1038221913.db2.gz LZQMJPJWWHAXIL-HXUWFJFHSA-N 1 2 359.445 2.598 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cnc(F)c(OC(C)C)c1 ZINC001277623207 1038221926 /nfs/dbraw/zinc/22/19/26/1038221926.db2.gz LZQMJPJWWHAXIL-HXUWFJFHSA-N 1 2 359.445 2.598 20 30 FFEDLO CCC[C@@H](OCC)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208366543 1038253535 /nfs/dbraw/zinc/25/35/35/1038253535.db2.gz DOQMJKHTDDGHQR-NIKGAXFTSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC[C@@H](OCC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208366543 1038253539 /nfs/dbraw/zinc/25/35/39/1038253539.db2.gz DOQMJKHTDDGHQR-NIKGAXFTSA-N 1 2 361.461 2.839 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C)C(C)C ZINC001208503280 1038364656 /nfs/dbraw/zinc/36/46/56/1038364656.db2.gz GAZZVAKXDPWABP-LZQZEXGQSA-N 1 2 362.901 2.799 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C)C(C)C ZINC001208503280 1038364662 /nfs/dbraw/zinc/36/46/62/1038364662.db2.gz GAZZVAKXDPWABP-LZQZEXGQSA-N 1 2 362.901 2.799 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001208508750 1038371677 /nfs/dbraw/zinc/37/16/77/1038371677.db2.gz GXIIQQFPEMQQTP-HGHGUNKESA-N 1 2 357.498 2.972 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001208508750 1038371685 /nfs/dbraw/zinc/37/16/85/1038371685.db2.gz GXIIQQFPEMQQTP-HGHGUNKESA-N 1 2 357.498 2.972 20 30 FFEDLO N#Cc1ccc(C[NH+]2CC3(C2)CCN(C(=O)Cc2ccsc2)C3)s1 ZINC001278923644 1038457382 /nfs/dbraw/zinc/45/73/82/1038457382.db2.gz KJIHYRBMWKIIKH-UHFFFAOYSA-N 1 2 357.504 2.958 20 30 FFEDLO C=CCN(CC[N@@H+]1C[C@@H]2CC[C@H]1CN2C(=O)OC(C)(C)C)C(=O)OCC ZINC001209023576 1038637573 /nfs/dbraw/zinc/63/75/73/1038637573.db2.gz JYFJLESREQMRRE-HOTGVXAUSA-N 1 2 367.490 2.715 20 30 FFEDLO C=CCN(CC[N@H+]1C[C@@H]2CC[C@H]1CN2C(=O)OC(C)(C)C)C(=O)OCC ZINC001209023576 1038637577 /nfs/dbraw/zinc/63/75/77/1038637577.db2.gz JYFJLESREQMRRE-HOTGVXAUSA-N 1 2 367.490 2.715 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH2+]C[C@@H]2C#N)C[C@H]1c1ccccc1 ZINC001256938269 1038660432 /nfs/dbraw/zinc/66/04/32/1038660432.db2.gz BHXMFDSDNZWPSM-FHWLQOOXSA-N 1 2 370.497 2.925 20 30 FFEDLO C#CC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C1)C(=O)OC ZINC001257178795 1038737858 /nfs/dbraw/zinc/73/78/58/1038737858.db2.gz IKOHESCOJDFAED-PMPSAXMXSA-N 1 2 352.475 2.565 20 30 FFEDLO C=C(C)Cc1ccc(C(=O)N2CC3(C2)CC[N@@H+](COCCOC)C3)cc1 ZINC001278610129 1038774546 /nfs/dbraw/zinc/77/45/46/1038774546.db2.gz ZOQRCFGNIBJWGF-UHFFFAOYSA-N 1 2 358.482 2.574 20 30 FFEDLO C=C(C)Cc1ccc(C(=O)N2CC3(C2)CC[N@H+](COCCOC)C3)cc1 ZINC001278610129 1038774553 /nfs/dbraw/zinc/77/45/53/1038774553.db2.gz ZOQRCFGNIBJWGF-UHFFFAOYSA-N 1 2 358.482 2.574 20 30 FFEDLO Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1C ZINC001209477563 1038915083 /nfs/dbraw/zinc/91/50/83/1038915083.db2.gz GDTKVJRFUICCQF-RDTXWAMCSA-N 1 2 371.510 2.542 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1nn(C)c3ccccc13)CCC2 ZINC001209577999 1039011978 /nfs/dbraw/zinc/01/19/78/1039011978.db2.gz DIAARASPGUZVIN-UHFFFAOYSA-N 1 2 351.454 2.878 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1nn(C)c3ccccc13)CCC2 ZINC001209577999 1039011997 /nfs/dbraw/zinc/01/19/97/1039011997.db2.gz DIAARASPGUZVIN-UHFFFAOYSA-N 1 2 351.454 2.878 20 30 FFEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cnc(OC)c(OC)c1)CCO2 ZINC001209614634 1039058145 /nfs/dbraw/zinc/05/81/45/1039058145.db2.gz IHPPGQHSERDONE-FXAWDEMLSA-N 1 2 362.470 2.673 20 30 FFEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cnc(OC)c(OC)c1)CCO2 ZINC001209614634 1039058161 /nfs/dbraw/zinc/05/81/61/1039058161.db2.gz IHPPGQHSERDONE-FXAWDEMLSA-N 1 2 362.470 2.673 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1c(C)nc3ccccn31)CC2 ZINC001209647129 1039103173 /nfs/dbraw/zinc/10/31/73/1039103173.db2.gz KNDBEVFQMHWNNF-UHFFFAOYSA-N 1 2 351.454 2.637 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1c(C)nc3ccccn31)CC2 ZINC001209647129 1039103174 /nfs/dbraw/zinc/10/31/74/1039103174.db2.gz KNDBEVFQMHWNNF-UHFFFAOYSA-N 1 2 351.454 2.637 20 30 FFEDLO Cc1ccc(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c(Cl)n1 ZINC001279081286 1039252775 /nfs/dbraw/zinc/25/27/75/1039252775.db2.gz GXAHBIRBKUZFEM-UHFFFAOYSA-N 1 2 355.873 2.571 20 30 FFEDLO C#Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4scnc4C)C[C@@H](C2)O3)cc1 ZINC001278436636 1039281819 /nfs/dbraw/zinc/28/18/19/1039281819.db2.gz OABGBPWHMVTFRQ-KDURUIRLSA-N 1 2 353.491 2.518 20 30 FFEDLO C#Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4scnc4C)C[C@@H](C2)O3)cc1 ZINC001278436636 1039281823 /nfs/dbraw/zinc/28/18/23/1039281823.db2.gz OABGBPWHMVTFRQ-KDURUIRLSA-N 1 2 353.491 2.518 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC001210120677 1039394124 /nfs/dbraw/zinc/39/41/24/1039394124.db2.gz HCHOWPRDLQXOIB-JTQLQIEISA-N 1 2 364.165 2.645 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)COc1ccccc1 ZINC001210567367 1039613196 /nfs/dbraw/zinc/61/31/96/1039613196.db2.gz ODOAPAKDSYAQGE-FOIQADDNSA-N 1 2 367.424 2.713 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)COc1ccccc1 ZINC001210567367 1039613206 /nfs/dbraw/zinc/61/32/06/1039613206.db2.gz ODOAPAKDSYAQGE-FOIQADDNSA-N 1 2 367.424 2.713 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2ccccc2)C1 ZINC001210573066 1039615996 /nfs/dbraw/zinc/61/59/96/1039615996.db2.gz MLTPRMYYFCLFHW-CZUORRHYSA-N 1 2 351.288 2.964 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2ccccc2)C1 ZINC001210573066 1039616001 /nfs/dbraw/zinc/61/60/01/1039616001.db2.gz MLTPRMYYFCLFHW-CZUORRHYSA-N 1 2 351.288 2.964 20 30 FFEDLO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)NCC(F)(F)F)cc1C#N ZINC001278700826 1040015173 /nfs/dbraw/zinc/01/51/73/1040015173.db2.gz HUONKBFUMUQOIA-IYBDPMFKSA-N 1 2 366.387 2.787 20 30 FFEDLO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)NCC(F)(F)F)cc1C#N ZINC001278700826 1040015184 /nfs/dbraw/zinc/01/51/84/1040015184.db2.gz HUONKBFUMUQOIA-IYBDPMFKSA-N 1 2 366.387 2.787 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)C[C@H]1C)c1ccccc1 ZINC001211241571 1040025693 /nfs/dbraw/zinc/02/56/93/1040025693.db2.gz LVISFEVHEGCFEH-TYCQWZJGSA-N 1 2 364.493 2.736 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)C[C@H]1C)c1ccccc1 ZINC001211241571 1040025706 /nfs/dbraw/zinc/02/57/06/1040025706.db2.gz LVISFEVHEGCFEH-TYCQWZJGSA-N 1 2 364.493 2.736 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)c(OC)c(F)c2)C[C@H]1C ZINC001211424984 1040181977 /nfs/dbraw/zinc/18/19/77/1040181977.db2.gz GWQCTSKKGVZQGN-IIYDPXPESA-N 1 2 368.424 2.501 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)c(OC)c(F)c2)C[C@H]1C ZINC001211424984 1040181983 /nfs/dbraw/zinc/18/19/83/1040181983.db2.gz GWQCTSKKGVZQGN-IIYDPXPESA-N 1 2 368.424 2.501 20 30 FFEDLO C=CCC(CC=C)C(=O)NC[C@@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001299622456 1040210793 /nfs/dbraw/zinc/21/07/93/1040210793.db2.gz RAYGSNRSSDTMIL-CBGDNZLLSA-N 1 2 370.497 2.636 20 30 FFEDLO C=CCC(CC=C)C(=O)NC[C@@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001299622456 1040210815 /nfs/dbraw/zinc/21/08/15/1040210815.db2.gz RAYGSNRSSDTMIL-CBGDNZLLSA-N 1 2 370.497 2.636 20 30 FFEDLO C#C[C@@H]1CCC[N@@H+](Cc2cccn3c(I)cnc23)C1 ZINC001248422564 1040268529 /nfs/dbraw/zinc/26/85/29/1040268529.db2.gz CZTGPIYFZHSXCW-GFCCVEGCSA-N 1 2 365.218 2.784 20 30 FFEDLO C#C[C@@H]1CCC[N@H+](Cc2cccn3c(I)cnc23)C1 ZINC001248422564 1040268546 /nfs/dbraw/zinc/26/85/46/1040268546.db2.gz CZTGPIYFZHSXCW-GFCCVEGCSA-N 1 2 365.218 2.784 20 30 FFEDLO CCCC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2OC)CCC1 ZINC001213305435 1040427839 /nfs/dbraw/zinc/42/78/39/1040427839.db2.gz BMJXWIIWAALRGX-WOJBJXKFSA-N 1 2 354.494 2.824 20 30 FFEDLO CCCC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2OC)CCC1 ZINC001213305435 1040427846 /nfs/dbraw/zinc/42/78/46/1040427846.db2.gz BMJXWIIWAALRGX-WOJBJXKFSA-N 1 2 354.494 2.824 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213320147 1040445657 /nfs/dbraw/zinc/44/56/57/1040445657.db2.gz NXIBFOUBQPYTHA-GDIGMMSISA-N 1 2 359.445 2.615 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213320147 1040445660 /nfs/dbraw/zinc/44/56/60/1040445660.db2.gz NXIBFOUBQPYTHA-GDIGMMSISA-N 1 2 359.445 2.615 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2[nH]nc3cc(C(F)(F)F)ccc32)CC1 ZINC001248848379 1040470270 /nfs/dbraw/zinc/47/02/70/1040470270.db2.gz ZKZHPBTUVCTRBS-UHFFFAOYSA-N 1 2 366.343 2.860 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cnn3ccc(C#N)cc13)CCO2 ZINC001249099367 1040580270 /nfs/dbraw/zinc/58/02/70/1040580270.db2.gz NQRDGYHIXWDXHC-TZIWHRDSSA-N 1 2 366.465 2.780 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cnn3ccc(C#N)cc13)CCO2 ZINC001249099367 1040580281 /nfs/dbraw/zinc/58/02/81/1040580281.db2.gz NQRDGYHIXWDXHC-TZIWHRDSSA-N 1 2 366.465 2.780 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1OC)c1ccccc1 ZINC001213896243 1041040119 /nfs/dbraw/zinc/04/01/19/1041040119.db2.gz YHDQANSAIJEACV-XUVXKRRUSA-N 1 2 369.465 2.658 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1OC)c1ccccc1 ZINC001213896243 1041040134 /nfs/dbraw/zinc/04/01/34/1041040134.db2.gz YHDQANSAIJEACV-XUVXKRRUSA-N 1 2 369.465 2.658 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1OC)c1ccccc1 ZINC001213900439 1041049882 /nfs/dbraw/zinc/04/98/82/1041049882.db2.gz ZZNHVTXVELMINR-ATZDWAIDSA-N 1 2 371.506 2.818 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1OC)c1ccccc1 ZINC001213900439 1041049896 /nfs/dbraw/zinc/04/98/96/1041049896.db2.gz ZZNHVTXVELMINR-ATZDWAIDSA-N 1 2 371.506 2.818 20 30 FFEDLO C#CC[C@@H](CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1OC)c1ccccc1 ZINC001213994890 1041144280 /nfs/dbraw/zinc/14/42/80/1041144280.db2.gz GNWKIYDEXHGNRU-GHVCLIAHSA-N 1 2 360.885 2.752 20 30 FFEDLO C#CC[C@@H](CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1OC)c1ccccc1 ZINC001213994890 1041144286 /nfs/dbraw/zinc/14/42/86/1041144286.db2.gz GNWKIYDEXHGNRU-GHVCLIAHSA-N 1 2 360.885 2.752 20 30 FFEDLO C#CC[C@H](CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1OC)c1ccccc1 ZINC001213994891 1041145429 /nfs/dbraw/zinc/14/54/29/1041145429.db2.gz GNWKIYDEXHGNRU-IIKDMSNXSA-N 1 2 360.885 2.752 20 30 FFEDLO C#CC[C@H](CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1OC)c1ccccc1 ZINC001213994891 1041145436 /nfs/dbraw/zinc/14/54/36/1041145436.db2.gz GNWKIYDEXHGNRU-IIKDMSNXSA-N 1 2 360.885 2.752 20 30 FFEDLO COc1ccc(C[NH+]2CCOCC2)cc1Nc1nc(C)c(C#N)cc1C#N ZINC001215547086 1041822861 /nfs/dbraw/zinc/82/28/61/1041822861.db2.gz JEXQZKYKUKAQLS-UHFFFAOYSA-N 1 2 363.421 2.718 20 30 FFEDLO C=CCN(c1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1C)C1CC1 ZINC001262901337 1041945350 /nfs/dbraw/zinc/94/53/50/1041945350.db2.gz YMQDZMIGHRDFSF-SFHVURJKSA-N 1 2 353.470 2.543 20 30 FFEDLO C=CCN(c1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1C)C1CC1 ZINC001262901337 1041945360 /nfs/dbraw/zinc/94/53/60/1041945360.db2.gz YMQDZMIGHRDFSF-SFHVURJKSA-N 1 2 353.470 2.543 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(CC(F)F)C1CCC1 ZINC001262941804 1041977821 /nfs/dbraw/zinc/97/78/21/1041977821.db2.gz VAOZSUFQGIMOQP-HNNXBMFYSA-N 1 2 369.460 2.870 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CC(F)F)C1CCC1 ZINC001262941804 1041977827 /nfs/dbraw/zinc/97/78/27/1041977827.db2.gz VAOZSUFQGIMOQP-HNNXBMFYSA-N 1 2 369.460 2.870 20 30 FFEDLO C#CCC1(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)c3noc(C)n3)C2)CCCCC1 ZINC001216913625 1042162049 /nfs/dbraw/zinc/16/20/49/1042162049.db2.gz XFCZSAMQCCAFMH-BFYDXBDKSA-N 1 2 358.486 2.849 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](C3CCC3)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001263285394 1042221226 /nfs/dbraw/zinc/22/12/26/1042221226.db2.gz GEPQBSYKLPHMCG-WFXMLNOXSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](C3CCC3)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001263285394 1042221229 /nfs/dbraw/zinc/22/12/29/1042221229.db2.gz GEPQBSYKLPHMCG-WFXMLNOXSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N(C)[C@H](C)c2ccco2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001263285772 1042221278 /nfs/dbraw/zinc/22/12/78/1042221278.db2.gz NZYNGNYQSGPMEH-SPYBWZPUSA-N 1 2 359.474 2.556 20 30 FFEDLO C=C(C)Cn1c(N(C)[C@H](C)c2ccco2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001263285772 1042221281 /nfs/dbraw/zinc/22/12/81/1042221281.db2.gz NZYNGNYQSGPMEH-SPYBWZPUSA-N 1 2 359.474 2.556 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@](C)(C(F)F)C1 ZINC001263341627 1042250710 /nfs/dbraw/zinc/25/07/10/1042250710.db2.gz UAIQPUVMNDQKQG-KBXCAEBGSA-N 1 2 369.460 2.871 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@](C)(C(F)F)C1 ZINC001263341627 1042250715 /nfs/dbraw/zinc/25/07/15/1042250715.db2.gz UAIQPUVMNDQKQG-KBXCAEBGSA-N 1 2 369.460 2.871 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)SC)n2Cc2cccs2)CC1 ZINC001263495252 1042342769 /nfs/dbraw/zinc/34/27/69/1042342769.db2.gz DTIOFIKMXXEBQK-CQSZACIVSA-N 1 2 361.540 2.567 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCCO1 ZINC001263603934 1042396909 /nfs/dbraw/zinc/39/69/09/1042396909.db2.gz QDGNYGPUHKWLES-ZWKOTPCHSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCCO1 ZINC001263603934 1042396911 /nfs/dbraw/zinc/39/69/11/1042396911.db2.gz QDGNYGPUHKWLES-ZWKOTPCHSA-N 1 2 372.517 2.744 20 30 FFEDLO N#CCC[NH+]1CCC(c2nnc(N3CCC(F)CC3)n2CC2CC2)CC1 ZINC001263756630 1042469062 /nfs/dbraw/zinc/46/90/62/1042469062.db2.gz UUPHZSDSYKXOGW-UHFFFAOYSA-N 1 2 360.481 2.719 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H](OC)C2CC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001264050137 1042597821 /nfs/dbraw/zinc/59/78/21/1042597821.db2.gz CDXRJEAJARMGQA-OTWHNJEPSA-N 1 2 359.445 2.591 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H](OC)C2CC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001264050137 1042597824 /nfs/dbraw/zinc/59/78/24/1042597824.db2.gz CDXRJEAJARMGQA-OTWHNJEPSA-N 1 2 359.445 2.591 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2nncn2C)[C@@H]1CC)c1ccccc1 ZINC001264071242 1042612985 /nfs/dbraw/zinc/61/29/85/1042612985.db2.gz AKVUYUALNRCZBE-CEXWTWQISA-N 1 2 367.497 2.644 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2nncn2C)[C@@H]1CC)c1ccccc1 ZINC001264071242 1042612987 /nfs/dbraw/zinc/61/29/87/1042612987.db2.gz AKVUYUALNRCZBE-CEXWTWQISA-N 1 2 367.497 2.644 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001264132860 1042629599 /nfs/dbraw/zinc/62/95/99/1042629599.db2.gz FRZGDPIMLWQLEA-LPMFXHHGSA-N 1 2 359.445 2.591 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001264132860 1042629605 /nfs/dbraw/zinc/62/96/05/1042629605.db2.gz FRZGDPIMLWQLEA-LPMFXHHGSA-N 1 2 359.445 2.591 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C)s3)CC[C@@H]2C1 ZINC001264648751 1042768197 /nfs/dbraw/zinc/76/81/97/1042768197.db2.gz CKSWWJSIZGXDBN-SJORKVTESA-N 1 2 360.527 2.711 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C)s3)CC[C@@H]2C1 ZINC001264648751 1042768203 /nfs/dbraw/zinc/76/82/03/1042768203.db2.gz CKSWWJSIZGXDBN-SJORKVTESA-N 1 2 360.527 2.711 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nnc(-c3cccc(F)c3)o2)[C@@H]1C ZINC001264698968 1042784897 /nfs/dbraw/zinc/78/48/97/1042784897.db2.gz YHGIEKBRVGCWMS-PBHICJAKSA-N 1 2 370.428 2.758 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(F)c3)o2)[C@@H]1C ZINC001264698968 1042784900 /nfs/dbraw/zinc/78/49/00/1042784900.db2.gz YHGIEKBRVGCWMS-PBHICJAKSA-N 1 2 370.428 2.758 20 30 FFEDLO Cc1ccnc(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c1Cl ZINC001279378600 1043038197 /nfs/dbraw/zinc/03/81/97/1043038197.db2.gz BPBFMLMAWMVJCN-UHFFFAOYSA-N 1 2 355.873 2.571 20 30 FFEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237606875 1043266627 /nfs/dbraw/zinc/26/66/27/1043266627.db2.gz PXSDRXKSPVUYDI-ZBFHGGJFSA-N 1 2 369.469 2.941 20 30 FFEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237606875 1043266636 /nfs/dbraw/zinc/26/66/36/1043266636.db2.gz PXSDRXKSPVUYDI-ZBFHGGJFSA-N 1 2 369.469 2.941 20 30 FFEDLO Cc1c(F)c(F)ccc1CN1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001279689956 1043473062 /nfs/dbraw/zinc/47/30/62/1043473062.db2.gz YSNMPMZVZHXLNK-UHFFFAOYSA-N 1 2 356.420 2.801 20 30 FFEDLO COc1cccc(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c1Cl ZINC001279694892 1043485259 /nfs/dbraw/zinc/48/52/59/1043485259.db2.gz FMTSQEOBPACVEM-UHFFFAOYSA-N 1 2 370.884 2.877 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)c(Cl)c1 ZINC001238082017 1043523411 /nfs/dbraw/zinc/52/34/11/1043523411.db2.gz GFZQMHSZSUUQDY-RTBURBONSA-N 1 2 366.852 2.982 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)c(Cl)c1 ZINC001238082017 1043523418 /nfs/dbraw/zinc/52/34/18/1043523418.db2.gz GFZQMHSZSUUQDY-RTBURBONSA-N 1 2 366.852 2.982 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@@H+](Cc1ccc(Cl)c(C#N)c1)CC2 ZINC001238199470 1043603742 /nfs/dbraw/zinc/60/37/42/1043603742.db2.gz UZMVWRNWOBIKND-UHFFFAOYSA-N 1 2 358.829 2.643 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@H+](Cc1ccc(Cl)c(C#N)c1)CC2 ZINC001238199470 1043603746 /nfs/dbraw/zinc/60/37/46/1043603746.db2.gz UZMVWRNWOBIKND-UHFFFAOYSA-N 1 2 358.829 2.643 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)Cc2c1cnn2CC ZINC001238405357 1043689020 /nfs/dbraw/zinc/68/90/20/1043689020.db2.gz DLMONUWJUWCIPV-QGZVFWFLSA-N 1 2 354.454 2.919 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)Cc2c1cnn2CC ZINC001238405357 1043689029 /nfs/dbraw/zinc/68/90/29/1043689029.db2.gz DLMONUWJUWCIPV-QGZVFWFLSA-N 1 2 354.454 2.919 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CC(CC#N)C2)cc1Cl ZINC001279931337 1043937412 /nfs/dbraw/zinc/93/74/12/1043937412.db2.gz FCIAIQKBPZIGKL-BEFAXECRSA-N 1 2 359.857 2.685 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)N2CC(CC#N)C2)cc1Cl ZINC001279931337 1043937418 /nfs/dbraw/zinc/93/74/18/1043937418.db2.gz FCIAIQKBPZIGKL-BEFAXECRSA-N 1 2 359.857 2.685 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=S)Nc4ccccc4F)C3)C2)cc1C#N ZINC001279973801 1044014738 /nfs/dbraw/zinc/01/47/38/1044014738.db2.gz HLKNRUIVDIIOFG-UHFFFAOYSA-N 1 2 369.469 2.550 20 30 FFEDLO C=CCCCN(CC)C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001312047578 1044025871 /nfs/dbraw/zinc/02/58/71/1044025871.db2.gz NCFSKQOEXGBGAW-HXUWFJFHSA-N 1 2 359.514 2.928 20 30 FFEDLO C=CCCC(C)(C)NC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC001313163100 1044255445 /nfs/dbraw/zinc/25/54/45/1044255445.db2.gz NSDURTDVHOOBFA-UHFFFAOYSA-N 1 2 353.507 2.837 20 30 FFEDLO CC(C)OC1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC001313240455 1044284210 /nfs/dbraw/zinc/28/42/10/1044284210.db2.gz LIWZVJLRLGPYML-UHFFFAOYSA-N 1 2 370.497 2.733 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N(C)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001281291714 1044852687 /nfs/dbraw/zinc/85/26/87/1044852687.db2.gz WQHRUSUQBPWMRX-JXXFODFXSA-N 1 2 360.502 2.811 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N(C)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001281291714 1044852709 /nfs/dbraw/zinc/85/27/09/1044852709.db2.gz WQHRUSUQBPWMRX-JXXFODFXSA-N 1 2 360.502 2.811 20 30 FFEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC001317820484 1045146874 /nfs/dbraw/zinc/14/68/74/1045146874.db2.gz RYOQOOBKCXPVKP-HUUCEWRRSA-N 1 2 367.946 2.767 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001539427338 1070635384 /nfs/dbraw/zinc/63/53/84/1070635384.db2.gz BDFFWHDETLGRFR-IRXDYDNUSA-N 1 2 373.545 2.534 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@H]21 ZINC001281947694 1045249763 /nfs/dbraw/zinc/24/97/63/1045249763.db2.gz PJKULWYBJRRSEO-IEBWSBKVSA-N 1 2 364.449 2.511 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@H](C)c2nccs2)CC1 ZINC001539430482 1070636781 /nfs/dbraw/zinc/63/67/81/1070636781.db2.gz JJXNEYSMDFVPJH-HOTGVXAUSA-N 1 2 372.542 2.807 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2[C@@H]2C[C@H]2C(C)C)CC1 ZINC001539454667 1070641564 /nfs/dbraw/zinc/64/15/64/1070641564.db2.gz XJLDGISNPKKZRX-ZWKOTPCHSA-N 1 2 369.538 2.903 20 30 FFEDLO CCOC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC001320584185 1045432164 /nfs/dbraw/zinc/43/21/64/1045432164.db2.gz NRTUWXVKARQXFP-AWEZNQCLSA-N 1 2 361.467 2.658 20 30 FFEDLO CCOC(=O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC001320584185 1045432166 /nfs/dbraw/zinc/43/21/66/1045432166.db2.gz NRTUWXVKARQXFP-AWEZNQCLSA-N 1 2 361.467 2.658 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)C1 ZINC001320890522 1045488913 /nfs/dbraw/zinc/48/89/13/1045488913.db2.gz WJNHMWLXMUVHNH-NGEICVOHSA-N 1 2 363.502 2.748 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)C1 ZINC001320890522 1045488919 /nfs/dbraw/zinc/48/89/19/1045488919.db2.gz WJNHMWLXMUVHNH-NGEICVOHSA-N 1 2 363.502 2.748 20 30 FFEDLO N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)CC2=O)cc1 ZINC001322223989 1046001597 /nfs/dbraw/zinc/00/15/97/1046001597.db2.gz XSTHVJFCJPYDFT-MRXNPFEDSA-N 1 2 371.400 2.940 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001284117596 1046484348 /nfs/dbraw/zinc/48/43/48/1046484348.db2.gz IOMAYBHLOKWCNX-CGTJXYLNSA-N 1 2 370.497 2.636 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001284117596 1046484356 /nfs/dbraw/zinc/48/43/56/1046484356.db2.gz IOMAYBHLOKWCNX-CGTJXYLNSA-N 1 2 370.497 2.636 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001290139843 1047851091 /nfs/dbraw/zinc/85/10/91/1047851091.db2.gz ZLXXRZUJDIWVRS-IXDOHACOSA-N 1 2 360.502 2.838 20 30 FFEDLO C#CCOc1cc(F)ccc1NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001332938059 1048633560 /nfs/dbraw/zinc/63/35/60/1048633560.db2.gz BCYZBOYSSNXGIN-UHFFFAOYSA-N 1 2 362.430 2.678 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@H]3CCC[C@H](C(F)(F)F)O3)CC2)cn1 ZINC001333050041 1048689642 /nfs/dbraw/zinc/68/96/42/1048689642.db2.gz LSLQGGMQEMSHPU-HZPDHXFCSA-N 1 2 354.376 2.575 20 30 FFEDLO C#CCCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001291907594 1048984998 /nfs/dbraw/zinc/98/49/98/1048984998.db2.gz UKMDJBIJYDBQRP-XWSJACJDSA-N 1 2 370.497 2.522 20 30 FFEDLO CCCCCCCCCN(C)C(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC001331014757 1049438346 /nfs/dbraw/zinc/43/83/46/1049438346.db2.gz XOQNNUVJDGPASX-QGZVFWFLSA-N 1 2 362.518 2.945 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@](C)(OC)CC1 ZINC001341755198 1050371789 /nfs/dbraw/zinc/37/17/89/1050371789.db2.gz DNQFKBCTCOIAQX-IBGZPJMESA-N 1 2 358.490 2.574 20 30 FFEDLO [NH3+][C@H](CC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F)C(F)F ZINC001341809387 1050423922 /nfs/dbraw/zinc/42/39/22/1050423922.db2.gz GOVQQUUWJWWIAF-GMSGAONNSA-N 1 2 362.245 2.990 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001341903692 1050504233 /nfs/dbraw/zinc/50/42/33/1050504233.db2.gz MLEFGJOVAUSCQT-WMZOPIPTSA-N 1 2 369.517 2.868 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001341903692 1050504250 /nfs/dbraw/zinc/50/42/50/1050504250.db2.gz MLEFGJOVAUSCQT-WMZOPIPTSA-N 1 2 369.517 2.868 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(Cc1ccccc1)C(C)C ZINC001340252570 1050659374 /nfs/dbraw/zinc/65/93/74/1050659374.db2.gz RJPHHGPJOXCLBU-MSOLQXFVSA-N 1 2 355.486 2.617 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(Cc1ccccc1)C(C)C ZINC001340252570 1050659376 /nfs/dbraw/zinc/65/93/76/1050659376.db2.gz RJPHHGPJOXCLBU-MSOLQXFVSA-N 1 2 355.486 2.617 20 30 FFEDLO C=CCCC1(C(=O)NCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC001492169568 1050705918 /nfs/dbraw/zinc/70/59/18/1050705918.db2.gz QRGFOBQFSNUXBK-IAGOWNOFSA-N 1 2 370.497 2.614 20 30 FFEDLO C=CCCC1(C(=O)NCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC001492169568 1050705925 /nfs/dbraw/zinc/70/59/25/1050705925.db2.gz QRGFOBQFSNUXBK-IAGOWNOFSA-N 1 2 370.497 2.614 20 30 FFEDLO C=C(C)Cn1c(Nc2ccn(CC)n2)nnc1[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC001342344428 1050939693 /nfs/dbraw/zinc/93/96/93/1050939693.db2.gz NSUBEKMVUDKESH-HOTGVXAUSA-N 1 2 371.489 2.740 20 30 FFEDLO C=C(C)Cn1c(Nc2ccn(CC)n2)nnc1[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC001342344428 1050939702 /nfs/dbraw/zinc/93/97/02/1050939702.db2.gz NSUBEKMVUDKESH-HOTGVXAUSA-N 1 2 371.489 2.740 20 30 FFEDLO C=CCn1c(CC(C)(C)C=C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001340559422 1050947066 /nfs/dbraw/zinc/94/70/66/1050947066.db2.gz NWIGMUUVPAGIAB-UHFFFAOYSA-N 1 2 367.501 2.644 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC([C@H]3c4ccccc4NC3=O)CC2)cc1 ZINC001340785153 1051132607 /nfs/dbraw/zinc/13/26/07/1051132607.db2.gz FFZRAAQTAMMKNJ-VQTJNVASSA-N 1 2 374.444 2.533 20 30 FFEDLO CCOCCCn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC001342560324 1051164587 /nfs/dbraw/zinc/16/45/87/1051164587.db2.gz HUBPFVUMJWGLDW-BBWFWOEESA-N 1 2 360.506 2.600 20 30 FFEDLO CCOCCCn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC001342560324 1051164594 /nfs/dbraw/zinc/16/45/94/1051164594.db2.gz HUBPFVUMJWGLDW-BBWFWOEESA-N 1 2 360.506 2.600 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001342671348 1051280120 /nfs/dbraw/zinc/28/01/20/1051280120.db2.gz BKCAFTLERMMGGH-FUHWJXTLSA-N 1 2 369.517 2.738 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001342671348 1051280131 /nfs/dbraw/zinc/28/01/31/1051280131.db2.gz BKCAFTLERMMGGH-FUHWJXTLSA-N 1 2 369.517 2.738 20 30 FFEDLO C=C[C@@H](O)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CC(=C)C ZINC001342743868 1051360829 /nfs/dbraw/zinc/36/08/29/1051360829.db2.gz PMEPVKMOKFKOKK-GOSISDBHSA-N 1 2 371.460 2.535 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CC=C(C)CC1 ZINC001343001615 1051617281 /nfs/dbraw/zinc/61/72/81/1051617281.db2.gz YDHKERDAZMCNRR-ROUUACIJSA-N 1 2 357.502 2.936 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CC=C(C)CC1 ZINC001343001615 1051617286 /nfs/dbraw/zinc/61/72/86/1051617286.db2.gz YDHKERDAZMCNRR-ROUUACIJSA-N 1 2 357.502 2.936 20 30 FFEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001343009541 1051625489 /nfs/dbraw/zinc/62/54/89/1051625489.db2.gz GVECAJWROBAQMZ-ROUUACIJSA-N 1 2 356.518 2.873 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)nn(C)c2Sc2ccccc2)CC1 ZINC001542569851 1071257467 /nfs/dbraw/zinc/25/74/67/1071257467.db2.gz AGJXRDSAJFSJRO-UHFFFAOYSA-N 1 2 368.506 2.661 20 30 FFEDLO CCc1nnc(N(C)C[C@@H](C)C#N)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001306071930 1052004026 /nfs/dbraw/zinc/00/40/26/1052004026.db2.gz AWXIHBVOVPGOMT-INIZCTEOSA-N 1 2 367.501 2.870 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(c2cc(F)c(C#N)cc2[N+](=O)[O-])CC1 ZINC001306956497 1052227285 /nfs/dbraw/zinc/22/72/85/1052227285.db2.gz LERFRYHOHBUPCY-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc([C@H]2CCC[N@@H+]2C)n1C[C@@H]1CCCO1 ZINC001345322951 1052385444 /nfs/dbraw/zinc/38/54/44/1052385444.db2.gz WANUWFPJUMGJRW-ZWKOTPCHSA-N 1 2 374.533 2.990 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc([C@H]2CCC[N@H+]2C)n1C[C@@H]1CCCO1 ZINC001345322951 1052385452 /nfs/dbraw/zinc/38/54/52/1052385452.db2.gz WANUWFPJUMGJRW-ZWKOTPCHSA-N 1 2 374.533 2.990 20 30 FFEDLO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@@H](C)c1cccc(C#N)c1)[nH]c2=O ZINC001308065827 1052398000 /nfs/dbraw/zinc/39/80/00/1052398000.db2.gz IWNBRXSYMGCGRT-LBPRGKRZSA-N 1 2 362.389 2.844 20 30 FFEDLO C[C@@H]1C[NH+](Cc2ccc(C(=O)[C@@H](C#N)c3nccn3C)cc2)C[C@@H](C)O1 ZINC001343853183 1052453219 /nfs/dbraw/zinc/45/32/19/1052453219.db2.gz QIPKQZUIOFQBJX-IIDMSEBBSA-N 1 2 352.438 2.519 20 30 FFEDLO C#CC[NH+](CC#C)Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1 ZINC001308605229 1052476029 /nfs/dbraw/zinc/47/60/29/1052476029.db2.gz ITXXAJZRCYTGTO-UHFFFAOYSA-N 1 2 356.466 2.906 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](Cn1c(CC3CC3)nnc1N(C)C[C@@H](C)C#N)CCC2 ZINC001542831747 1071314729 /nfs/dbraw/zinc/31/47/29/1071314729.db2.gz BHIZBNLNGFGUGY-YOEHRIQHSA-N 1 2 367.501 2.909 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001344278688 1052678548 /nfs/dbraw/zinc/67/85/48/1052678548.db2.gz FPSWIMXLIIJEOF-YESZJQIVSA-N 1 2 360.502 2.838 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)C1(C(F)F)CC1 ZINC001345982444 1052694853 /nfs/dbraw/zinc/69/48/53/1052694853.db2.gz RFCFQDAHAHSSON-UHFFFAOYSA-N 1 2 355.406 2.520 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCSC[C@H]1C ZINC001346188339 1052782095 /nfs/dbraw/zinc/78/20/95/1052782095.db2.gz XZVMKPMZLKXGHE-MRXNPFEDSA-N 1 2 374.558 2.889 20 30 FFEDLO C=C[C@H](O)c1nnc(N2CCC(Nc3cccc[nH+]3)CC2)n1CC(=C)C ZINC001346281236 1052811200 /nfs/dbraw/zinc/81/12/00/1052811200.db2.gz IYGQPKDUERNXKJ-INIZCTEOSA-N 1 2 354.458 2.550 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001335588947 1053453205 /nfs/dbraw/zinc/45/32/05/1053453205.db2.gz OJZXUYLWLHCFOP-NBJYBMASSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001335588947 1053453211 /nfs/dbraw/zinc/45/32/11/1053453211.db2.gz OJZXUYLWLHCFOP-NBJYBMASSA-N 1 2 370.497 2.567 20 30 FFEDLO CCN(CC)c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1cc(C)on1 ZINC001347199299 1053713670 /nfs/dbraw/zinc/71/36/70/1053713670.db2.gz UFWJSPOQUBTQRM-UHFFFAOYSA-N 1 2 371.489 2.562 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2c2cc(C#N)sc2[N+](=O)[O-])C[C@H](C)O1 ZINC001336748164 1054190871 /nfs/dbraw/zinc/19/08/71/1054190871.db2.gz PKMYPBDLXHXYEH-FRRDWIJNSA-N 1 2 350.444 2.606 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@H]2CCCN2c2cc(C#N)sc2[N+](=O)[O-])C[C@H](C)O1 ZINC001336748164 1054190880 /nfs/dbraw/zinc/19/08/80/1054190880.db2.gz PKMYPBDLXHXYEH-FRRDWIJNSA-N 1 2 350.444 2.606 20 30 FFEDLO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2cc(C#N)sc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001336748166 1054191111 /nfs/dbraw/zinc/19/11/11/1054191111.db2.gz PKMYPBDLXHXYEH-UPJWGTAASA-N 1 2 350.444 2.606 20 30 FFEDLO C=CCN(CCOC)c1nnc([C@H]2CCC[N@@H+]2C)n1Cc1cccs1 ZINC001348391546 1054669107 /nfs/dbraw/zinc/66/91/07/1054669107.db2.gz JWEKQJUSFCDCPQ-MRXNPFEDSA-N 1 2 361.515 2.793 20 30 FFEDLO C=CCN(CCOC)c1nnc([C@H]2CCC[N@H+]2C)n1Cc1cccs1 ZINC001348391546 1054669116 /nfs/dbraw/zinc/66/91/16/1054669116.db2.gz JWEKQJUSFCDCPQ-MRXNPFEDSA-N 1 2 361.515 2.793 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)c1ccc(OC(C)C)cc1 ZINC001351605154 1054917689 /nfs/dbraw/zinc/91/76/89/1054917689.db2.gz QZVACXWATTWNSA-WMZOPIPTSA-N 1 2 371.485 2.757 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)c1ccc(OC(C)C)cc1 ZINC001351605154 1054917696 /nfs/dbraw/zinc/91/76/96/1054917696.db2.gz QZVACXWATTWNSA-WMZOPIPTSA-N 1 2 371.485 2.757 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@H]1c1cccc(C)c1 ZINC001351606066 1054918409 /nfs/dbraw/zinc/91/84/09/1054918409.db2.gz VTRCSXOCDQANMU-QYZOEREBSA-N 1 2 367.497 2.852 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@H]1c1cccc(C)c1 ZINC001351606066 1054918417 /nfs/dbraw/zinc/91/84/17/1054918417.db2.gz VTRCSXOCDQANMU-QYZOEREBSA-N 1 2 367.497 2.852 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001351615219 1054922150 /nfs/dbraw/zinc/92/21/50/1054922150.db2.gz HEUVXVDIFGSTKT-DOTOQJQBSA-N 1 2 357.458 2.792 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001351615219 1054922155 /nfs/dbraw/zinc/92/21/55/1054922155.db2.gz HEUVXVDIFGSTKT-DOTOQJQBSA-N 1 2 357.458 2.792 20 30 FFEDLO C=CCN(Cc1ccccc1F)C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001348842734 1054956632 /nfs/dbraw/zinc/95/66/32/1054956632.db2.gz HULIRFQSLOSSDP-UHFFFAOYSA-N 1 2 355.413 2.669 20 30 FFEDLO C=CCn1c(-c2coc(C)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001351852416 1055032092 /nfs/dbraw/zinc/03/20/92/1055032092.db2.gz SQLNSLMHBBZQJF-UHFFFAOYSA-N 1 2 368.441 2.651 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCOC1 ZINC001349021188 1055055448 /nfs/dbraw/zinc/05/54/48/1055055448.db2.gz KYLPSBNRCSEICR-ZWKOTPCHSA-N 1 2 372.517 2.601 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCOC1 ZINC001349021188 1055055458 /nfs/dbraw/zinc/05/54/58/1055055458.db2.gz KYLPSBNRCSEICR-ZWKOTPCHSA-N 1 2 372.517 2.601 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCc2cc(F)c(F)cc2C1 ZINC001352094157 1055187554 /nfs/dbraw/zinc/18/75/54/1055187554.db2.gz VAILLYSSHRPXRX-UHFFFAOYSA-N 1 2 370.407 2.629 20 30 FFEDLO C#CC[C@@H](CC)c1nnc(N2CC[NH+](Cc3ccccn3)CC2)n1CC=C ZINC001352172724 1055242469 /nfs/dbraw/zinc/24/24/69/1055242469.db2.gz ZPUWLOSLKHTVHX-GOSISDBHSA-N 1 2 364.497 2.698 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H](CC)O[C@@H](C)C1 ZINC001356082296 1055271811 /nfs/dbraw/zinc/27/18/11/1055271811.db2.gz AMIPLALYFZYGEO-FUHWJXTLSA-N 1 2 372.517 2.561 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001356210690 1055388615 /nfs/dbraw/zinc/38/86/15/1055388615.db2.gz ORHRMRBCEWGDSI-QZTJIDSGSA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001356210690 1055388625 /nfs/dbraw/zinc/38/86/25/1055388625.db2.gz ORHRMRBCEWGDSI-QZTJIDSGSA-N 1 2 359.518 2.874 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cnn(-c3ccccc3C)c2C(F)F)CC1 ZINC000847415657 1055737991 /nfs/dbraw/zinc/73/79/91/1055737991.db2.gz CLFWFLNMEZEBIM-UHFFFAOYSA-N 1 2 372.419 2.899 20 30 FFEDLO C=CCC1(O)CCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2CC(=C)C)CC1 ZINC001357125999 1055784960 /nfs/dbraw/zinc/78/49/60/1055784960.db2.gz GZGXZFHYKQNFRN-KRWDZBQOSA-N 1 2 359.518 2.918 20 30 FFEDLO C=CCC1(O)CCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2CC(=C)C)CC1 ZINC001357125999 1055784968 /nfs/dbraw/zinc/78/49/68/1055784968.db2.gz GZGXZFHYKQNFRN-KRWDZBQOSA-N 1 2 359.518 2.918 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(CC)CCSC ZINC001338841508 1055863727 /nfs/dbraw/zinc/86/37/27/1055863727.db2.gz WSSJZENMPKNISA-HZPDHXFCSA-N 1 2 365.547 2.579 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(CC)CCSC ZINC001338841508 1055863736 /nfs/dbraw/zinc/86/37/36/1055863736.db2.gz WSSJZENMPKNISA-HZPDHXFCSA-N 1 2 365.547 2.579 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1Cc2ccccc2[C@H]1CC ZINC001338896073 1055914476 /nfs/dbraw/zinc/91/44/76/1055914476.db2.gz TXSNJOXHBFVVSE-JQHSSLGASA-N 1 2 353.470 2.673 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1Cc2ccccc2[C@H]1CC ZINC001338896073 1055914482 /nfs/dbraw/zinc/91/44/82/1055914482.db2.gz TXSNJOXHBFVVSE-JQHSSLGASA-N 1 2 353.470 2.673 20 30 FFEDLO C=CCn1c(CCCCC#N)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001339022314 1056023451 /nfs/dbraw/zinc/02/34/51/1056023451.db2.gz QBKMWNOWIOYZQL-UHFFFAOYSA-N 1 2 365.485 2.724 20 30 FFEDLO C=CC[C@@H]1N(c2nnc([C@]3(C)C[C@@H](O)C[N@H+]3C)n2CC=C)CCCC1(C)C ZINC001339198075 1056193592 /nfs/dbraw/zinc/19/35/92/1056193592.db2.gz UXJHQQRAOPDDMC-WWMYMODYSA-N 1 2 373.545 2.947 20 30 FFEDLO C=CC[C@@H]1N(c2nnc([C@]3(C)C[C@@H](O)C[N@@H+]3C)n2CC=C)CCCC1(C)C ZINC001339198075 1056193601 /nfs/dbraw/zinc/19/36/01/1056193601.db2.gz UXJHQQRAOPDDMC-WWMYMODYSA-N 1 2 373.545 2.947 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001339499730 1056519051 /nfs/dbraw/zinc/51/90/51/1056519051.db2.gz LWVZJOVYFLSSMC-MSOLQXFVSA-N 1 2 372.517 2.539 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)C[C@@](C)(O)c1ccccc1 ZINC001339528109 1056550170 /nfs/dbraw/zinc/55/01/70/1056550170.db2.gz CGJIQJUQYIORNG-WIYYLYMNSA-N 1 2 369.513 2.965 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)C[C@@](C)(O)c1ccccc1 ZINC001339528109 1056550184 /nfs/dbraw/zinc/55/01/84/1056550184.db2.gz CGJIQJUQYIORNG-WIYYLYMNSA-N 1 2 369.513 2.965 20 30 FFEDLO C#CCN(C)c1nnc(CC2CC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001358951794 1056622056 /nfs/dbraw/zinc/62/20/56/1056622056.db2.gz MGCDLAXJXLFVPM-KRWDZBQOSA-N 1 2 373.451 2.881 20 30 FFEDLO C#CCN(CC)c1nnc(CC(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001359010051 1056653942 /nfs/dbraw/zinc/65/39/42/1056653942.db2.gz FHSAKFWRYKGEIA-UHFFFAOYSA-N 1 2 366.513 2.980 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2C[C@@H](C)c2ncc(C)s2)CC1 ZINC001359029255 1056665549 /nfs/dbraw/zinc/66/55/49/1056665549.db2.gz SCIWGRYSQFALKV-OAHLLOKOSA-N 1 2 372.542 2.725 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCC[C@H]2C)CC1 ZINC001359033854 1056666819 /nfs/dbraw/zinc/66/68/19/1056666819.db2.gz TYSIKWRGZXJIDY-IEBWSBKVSA-N 1 2 364.497 2.532 20 30 FFEDLO Cc1cc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)nn1CCC#N ZINC000539716045 1056872671 /nfs/dbraw/zinc/87/26/71/1056872671.db2.gz GNBGRNKAIDKLJV-UHFFFAOYSA-N 1 2 363.425 2.672 20 30 FFEDLO N#C[C@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2CCc2ccccc2)C1 ZINC001354475964 1059048622 /nfs/dbraw/zinc/04/86/22/1059048622.db2.gz XRMYZTNADPPXBR-LJQANCHMSA-N 1 2 364.497 2.857 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)[C@@H](C)c1ccccc1C ZINC001520289039 1059572853 /nfs/dbraw/zinc/57/28/53/1059572853.db2.gz ISCSBKIDWQBWID-LZLYRXPVSA-N 1 2 355.486 2.707 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)[C@@H](C)c1ccccc1C ZINC001520289039 1059572867 /nfs/dbraw/zinc/57/28/67/1059572867.db2.gz ISCSBKIDWQBWID-LZLYRXPVSA-N 1 2 355.486 2.707 20 30 FFEDLO C#CCCCCn1c(C2CC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001507560369 1059638906 /nfs/dbraw/zinc/63/89/06/1059638906.db2.gz GXOCWYGZTUPXOT-UHFFFAOYSA-N 1 2 350.470 2.681 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(COCC)n2CCCC2CCCC2)CC1 ZINC001507733082 1059702567 /nfs/dbraw/zinc/70/25/67/1059702567.db2.gz ODZPCLOEHVZARB-UHFFFAOYSA-N 1 2 359.518 2.540 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCCC=C)CC1 ZINC001507726919 1059703031 /nfs/dbraw/zinc/70/30/31/1059703031.db2.gz FFQALJNRRGYYIE-UHFFFAOYSA-N 1 2 363.509 2.785 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CC2CCC(OC)CC2)CC1 ZINC001507723578 1059703114 /nfs/dbraw/zinc/70/31/14/1059703114.db2.gz NFHYUCDUGOOSGX-UHFFFAOYSA-N 1 2 371.529 2.506 20 30 FFEDLO C=CC(C)(C)CC(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001508671734 1059901731 /nfs/dbraw/zinc/90/17/31/1059901731.db2.gz AJDLUZVTRKDNLW-HUUCEWRRSA-N 1 2 360.502 2.716 20 30 FFEDLO C=CC(C)(C)CC(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001508671734 1059901747 /nfs/dbraw/zinc/90/17/47/1059901747.db2.gz AJDLUZVTRKDNLW-HUUCEWRRSA-N 1 2 360.502 2.716 20 30 FFEDLO C=CCCC[C@@H](NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)C(=O)OC ZINC001455831996 1059925678 /nfs/dbraw/zinc/92/56/78/1059925678.db2.gz BDGBLEMWXYQYDY-CQSZACIVSA-N 1 2 365.380 2.637 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)CC(F)(F)F ZINC001516047444 1059941169 /nfs/dbraw/zinc/94/11/69/1059941169.db2.gz PBFUDRDMMXVGNE-CYBMUJFWSA-N 1 2 361.412 2.634 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)CC(F)(F)F ZINC001516047444 1059941191 /nfs/dbraw/zinc/94/11/91/1059941191.db2.gz PBFUDRDMMXVGNE-CYBMUJFWSA-N 1 2 361.412 2.634 20 30 FFEDLO Cc1nc(CO[NH+]=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)co1 ZINC000848511610 1060199802 /nfs/dbraw/zinc/19/98/02/1060199802.db2.gz ZAEYYVNWSPYZBK-UHFFFAOYSA-N 1 2 360.414 2.845 20 30 FFEDLO CCc1nc(CN(C)c2nnc(C3CC[NH+](CCC#N)CC3)n2C)cs1 ZINC001355481432 1060275860 /nfs/dbraw/zinc/27/58/60/1060275860.db2.gz XJOMAYZJOGENCI-UHFFFAOYSA-N 1 2 373.530 2.563 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](Cn1c(C)nnc1N1CCC[C@](C)(C#N)C1)CCC2 ZINC001511423809 1060344808 /nfs/dbraw/zinc/34/48/08/1060344808.db2.gz PONFZTGGQLSWKK-VQIMIIECSA-N 1 2 353.474 2.799 20 30 FFEDLO Cc1cc(Cn2c([C@@H]3CCC[N@H+]3C)nnc2N2CCC[C@@](C)(C#N)C2)no1 ZINC001521350168 1060550910 /nfs/dbraw/zinc/55/09/10/1060550910.db2.gz QJLCXIYUGBTBBU-LPHOPBHVSA-N 1 2 369.473 2.520 20 30 FFEDLO Cc1cc(Cn2c([C@@H]3CCC[N@@H+]3C)nnc2N2CCC[C@@](C)(C#N)C2)no1 ZINC001521350168 1060550935 /nfs/dbraw/zinc/55/09/35/1060550935.db2.gz QJLCXIYUGBTBBU-LPHOPBHVSA-N 1 2 369.473 2.520 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC(C)(C)CC(C)(C)C1 ZINC001355920666 1060728891 /nfs/dbraw/zinc/72/88/91/1060728891.db2.gz VCJLXJZXHKITTI-HZPDHXFCSA-N 1 2 361.534 2.854 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC(C)(C)CC(C)(C)C1 ZINC001355920666 1060728895 /nfs/dbraw/zinc/72/88/95/1060728895.db2.gz VCJLXJZXHKITTI-HZPDHXFCSA-N 1 2 361.534 2.854 20 30 FFEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC001475577336 1061145304 /nfs/dbraw/zinc/14/53/04/1061145304.db2.gz ALGBADXEDVOVAW-UHFFFAOYSA-N 1 2 360.395 2.857 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001521925314 1061258067 /nfs/dbraw/zinc/25/80/67/1061258067.db2.gz UDKBFNHIKFNMKA-NVXWUHKLSA-N 1 2 366.465 2.581 20 30 FFEDLO CSCCCC(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001526991844 1061350197 /nfs/dbraw/zinc/35/01/97/1061350197.db2.gz GWEQIDFFHCAQSY-UHFFFAOYSA-N 1 2 353.509 2.618 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)CC1 ZINC000940037372 1061551662 /nfs/dbraw/zinc/55/16/62/1061551662.db2.gz DNVDPRKNLJWUPM-UWWQBHOKSA-N 1 2 370.497 2.539 20 30 FFEDLO C#C[C@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)C1 ZINC001527923411 1061688122 /nfs/dbraw/zinc/68/81/22/1061688122.db2.gz VIIUKSJNWRMXRE-KRWDZBQOSA-N 1 2 366.513 2.631 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc([C@H]2CCCC[N@H+]2C)n1Cc1cc(C)on1 ZINC001528340814 1061868660 /nfs/dbraw/zinc/86/86/60/1061868660.db2.gz IYZJGGGSQMTZHX-ZWKOTPCHSA-N 1 2 368.485 2.772 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc([C@H]2CCCC[N@@H+]2C)n1Cc1cc(C)on1 ZINC001528340814 1061868673 /nfs/dbraw/zinc/86/86/73/1061868673.db2.gz IYZJGGGSQMTZHX-ZWKOTPCHSA-N 1 2 368.485 2.772 20 30 FFEDLO N#CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC001523113371 1062382217 /nfs/dbraw/zinc/38/22/17/1062382217.db2.gz CHKRVOZKGVYUFY-RTWAWAEBSA-N 1 2 363.461 2.701 20 30 FFEDLO N#CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC001523113371 1062382233 /nfs/dbraw/zinc/38/22/33/1062382233.db2.gz CHKRVOZKGVYUFY-RTWAWAEBSA-N 1 2 363.461 2.701 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CC[N@@H+]1CC(=O)Nc1ccccc1 ZINC001479634830 1062667331 /nfs/dbraw/zinc/66/73/31/1062667331.db2.gz LFIDVRQEMDCAON-ZWKOTPCHSA-N 1 2 355.482 2.644 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CC[N@H+]1CC(=O)Nc1ccccc1 ZINC001479634830 1062667340 /nfs/dbraw/zinc/66/73/40/1062667340.db2.gz LFIDVRQEMDCAON-ZWKOTPCHSA-N 1 2 355.482 2.644 20 30 FFEDLO N#Cc1ccc(OCC(=O)Nc2ccc3[nH+]ccn3c2)cc1Br ZINC001437912965 1062925041 /nfs/dbraw/zinc/92/50/41/1062925041.db2.gz WBSYSLJMKYXFTL-UHFFFAOYSA-N 1 2 371.194 2.986 20 30 FFEDLO C#CC1CCN(c2nnc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)n2CC(C)C)CC1 ZINC001524832513 1063012185 /nfs/dbraw/zinc/01/21/85/1063012185.db2.gz ZXHZXDDQBPHSIH-MOPGFXCFSA-N 1 2 371.529 2.710 20 30 FFEDLO C#CC1CCN(c2nnc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)n2CC(C)C)CC1 ZINC001524832513 1063012205 /nfs/dbraw/zinc/01/22/05/1063012205.db2.gz ZXHZXDDQBPHSIH-MOPGFXCFSA-N 1 2 371.529 2.710 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2sc3cccc(F)c3c2COC)CC1 ZINC001465277135 1063036306 /nfs/dbraw/zinc/03/63/06/1063036306.db2.gz ROHRGJUMFKBZPN-UHFFFAOYSA-N 1 2 360.454 2.968 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2sc3cccc(F)c3c2COC)CC1 ZINC001465277135 1063036322 /nfs/dbraw/zinc/03/63/22/1063036322.db2.gz ROHRGJUMFKBZPN-UHFFFAOYSA-N 1 2 360.454 2.968 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)C(F)(F)c2cccc(Br)c2)CC1 ZINC001465280400 1063038652 /nfs/dbraw/zinc/03/86/52/1063038652.db2.gz WAVRCBDSCMEZOZ-UHFFFAOYSA-N 1 2 371.225 2.708 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)C(F)(F)c2cccc(Br)c2)CC1 ZINC001465280400 1063038634 /nfs/dbraw/zinc/03/86/34/1063038634.db2.gz WAVRCBDSCMEZOZ-UHFFFAOYSA-N 1 2 371.225 2.708 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCO1 ZINC001525290879 1063238072 /nfs/dbraw/zinc/23/80/72/1063238072.db2.gz BGRZIJZCIBLGAQ-DLBZAZTESA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCO1 ZINC001525290879 1063238093 /nfs/dbraw/zinc/23/80/93/1063238093.db2.gz BGRZIJZCIBLGAQ-DLBZAZTESA-N 1 2 372.517 2.744 20 30 FFEDLO COc1cc[nH+]cc1Cn1c(-c2cccnc2)nnc1N(C)[C@@H](C)CC#N ZINC001555121691 1075645034 /nfs/dbraw/zinc/64/50/34/1075645034.db2.gz KEGQYSXYRBTXMH-AWEZNQCLSA-N 1 2 363.425 2.530 20 30 FFEDLO N#C[C@@]1(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CCc2ccccc2C1 ZINC001556242990 1075720069 /nfs/dbraw/zinc/72/00/69/1075720069.db2.gz DWIMVOKXMAACQN-JOCHJYFZSA-N 1 2 356.429 2.982 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC001564772077 1076658858 /nfs/dbraw/zinc/65/88/58/1076658858.db2.gz FMVYLSSDFAOQEL-UHOSZYNNSA-N 1 2 373.497 2.645 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC001564772077 1076658862 /nfs/dbraw/zinc/65/88/62/1076658862.db2.gz FMVYLSSDFAOQEL-UHOSZYNNSA-N 1 2 373.497 2.645 20 30 FFEDLO C=CC[C@H]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)C1 ZINC001565224298 1076699269 /nfs/dbraw/zinc/69/92/69/1076699269.db2.gz IMKWAHJZBWBROX-ICSRJNTNSA-N 1 2 357.498 2.803 20 30 FFEDLO C=CC[C@H]1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)C1 ZINC001565224298 1076699272 /nfs/dbraw/zinc/69/92/72/1076699272.db2.gz IMKWAHJZBWBROX-ICSRJNTNSA-N 1 2 357.498 2.803 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cccs2)C1 ZINC001565997159 1076832950 /nfs/dbraw/zinc/83/29/50/1076832950.db2.gz GZXRDXSRPTXNNX-RTBURBONSA-N 1 2 368.502 2.986 20 30 FFEDLO COCC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cccs2)C1 ZINC001565997159 1076832959 /nfs/dbraw/zinc/83/29/59/1076832959.db2.gz GZXRDXSRPTXNNX-RTBURBONSA-N 1 2 368.502 2.986 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C(C)C)[nH]4)CC[C@@H]3C2)CCC1 ZINC001566049371 1076877829 /nfs/dbraw/zinc/87/78/29/1076877829.db2.gz AHHPQORIBVNPGI-SJORKVTESA-N 1 2 371.529 2.955 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C(C)C)[nH]4)CC[C@@H]3C2)CCC1 ZINC001566049371 1076877833 /nfs/dbraw/zinc/87/78/33/1076877833.db2.gz AHHPQORIBVNPGI-SJORKVTESA-N 1 2 371.529 2.955 20 30 FFEDLO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2nc(-c3ccc(F)cc3)no2)[C@@H]1C ZINC001566082611 1076889787 /nfs/dbraw/zinc/88/97/87/1076889787.db2.gz IWQJTXFAQYZMNG-CJNGLKHVSA-N 1 2 358.417 2.921 20 30 FFEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)[C@@H]1C ZINC001566082611 1076889790 /nfs/dbraw/zinc/88/97/90/1076889790.db2.gz IWQJTXFAQYZMNG-CJNGLKHVSA-N 1 2 358.417 2.921 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001570742406 1077227543 /nfs/dbraw/zinc/22/75/43/1077227543.db2.gz PDWTUNWHWNTPTH-CCKFTAQKSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001570742406 1077227545 /nfs/dbraw/zinc/22/75/45/1077227545.db2.gz PDWTUNWHWNTPTH-CCKFTAQKSA-N 1 2 359.445 2.615 20 30 FFEDLO CC(C)N(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571614588 1077257778 /nfs/dbraw/zinc/25/77/78/1077257778.db2.gz MGGNMCNQUTZKIH-GGPKGHCWSA-N 1 2 373.472 2.934 20 30 FFEDLO CC(C)N(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571614588 1077257783 /nfs/dbraw/zinc/25/77/83/1077257783.db2.gz MGGNMCNQUTZKIH-GGPKGHCWSA-N 1 2 373.472 2.934 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001571795435 1077268558 /nfs/dbraw/zinc/26/85/58/1077268558.db2.gz UAWIRAZUPOETNT-HUUCEWRRSA-N 1 2 360.502 2.716 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001571795435 1077268563 /nfs/dbraw/zinc/26/85/63/1077268563.db2.gz UAWIRAZUPOETNT-HUUCEWRRSA-N 1 2 360.502 2.716 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)(C)C ZINC001572524911 1077333298 /nfs/dbraw/zinc/33/32/98/1077333298.db2.gz JSFMROKBVSWGLB-IIAWOOMASA-N 1 2 360.502 2.763 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)(C)C ZINC001572524911 1077333304 /nfs/dbraw/zinc/33/33/04/1077333304.db2.gz JSFMROKBVSWGLB-IIAWOOMASA-N 1 2 360.502 2.763 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C[C@H]21 ZINC001573051263 1077492396 /nfs/dbraw/zinc/49/23/96/1077492396.db2.gz BEVLEUZYOUHFGF-NVXWUHKLSA-N 1 2 366.465 2.610 20 30 FFEDLO C=CCCC(=O)N[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@@H]1CC ZINC001573262532 1077643111 /nfs/dbraw/zinc/64/31/11/1077643111.db2.gz NTJKDSXYRYURMP-RCCFBDPRSA-N 1 2 360.502 2.932 20 30 FFEDLO CC1(C)CO[C@@H](CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001586913803 1079704812 /nfs/dbraw/zinc/70/48/12/1079704812.db2.gz NRFNSRUUFOEPSM-IBGZPJMESA-N 1 2 355.482 2.798 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CC[C@H]2CCO[C@H](C)C2)CC1 ZINC001588742306 1080178675 /nfs/dbraw/zinc/17/86/75/1080178675.db2.gz QEIUMZCSCMTMHA-MSOLQXFVSA-N 1 2 373.545 2.536 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2Cc2c(F)cccc2Cl)CC1 ZINC001588806413 1080204028 /nfs/dbraw/zinc/20/40/28/1080204028.db2.gz PPEVKMVGZRPSHJ-UHFFFAOYSA-N 1 2 373.863 2.752 20 30 FFEDLO CC[C@H](C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N)c1ccc(OC)cc1 ZINC000539524366 540970054 /nfs/dbraw/zinc/97/00/54/540970054.db2.gz FSHFZRXONZNVJC-HNNXBMFYSA-N 1 2 355.442 2.574 20 30 FFEDLO N#Cc1cccc(-n2ccc(C(=O)NCCCCNc3cccc[nH+]3)n2)c1 ZINC000409654259 512117632 /nfs/dbraw/zinc/11/76/32/512117632.db2.gz VJPIIUVPSPJZQY-UHFFFAOYSA-N 1 2 360.421 2.761 20 30 FFEDLO N#Cc1ccc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000014673085 249320800 /nfs/dbraw/zinc/32/08/00/249320800.db2.gz RUZZVPYSQPJXRT-GOSISDBHSA-N 1 2 352.394 2.952 20 30 FFEDLO C[N@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCN(c2ccccc2F)C1=O ZINC000093385503 250032142 /nfs/dbraw/zinc/03/21/42/250032142.db2.gz LOYCUXBBINJRNM-SFHVURJKSA-N 1 2 363.396 2.582 20 30 FFEDLO C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCN(c2ccccc2F)C1=O ZINC000093385503 250032146 /nfs/dbraw/zinc/03/21/46/250032146.db2.gz LOYCUXBBINJRNM-SFHVURJKSA-N 1 2 363.396 2.582 20 30 FFEDLO COCc1nc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cs1 ZINC000272909735 252161838 /nfs/dbraw/zinc/16/18/38/252161838.db2.gz NSQDAJNRMWPGKZ-UHFFFAOYSA-N 1 2 353.451 2.851 20 30 FFEDLO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1nc(C2CCCCC2)no1 ZINC000273294209 252275679 /nfs/dbraw/zinc/27/56/79/252275679.db2.gz JITFAZHKNAZQNY-AWEZNQCLSA-N 1 2 367.453 2.956 20 30 FFEDLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)c1cc(C#N)ccn1)CC2 ZINC000287696905 257103060 /nfs/dbraw/zinc/10/30/60/257103060.db2.gz CYNXTNGMISUOEK-INIZCTEOSA-N 1 2 367.478 2.536 20 30 FFEDLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)c1cc(C#N)ccn1)CC2 ZINC000287696905 257103062 /nfs/dbraw/zinc/10/30/62/257103062.db2.gz CYNXTNGMISUOEK-INIZCTEOSA-N 1 2 367.478 2.536 20 30 FFEDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1c(F)cccc1Cl ZINC000289748227 257297072 /nfs/dbraw/zinc/29/70/72/257297072.db2.gz HKZCSKNYUXNJFE-NSHDSACASA-N 1 2 367.833 2.870 20 30 FFEDLO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@H](C(F)(F)F)O1 ZINC000292276139 257478387 /nfs/dbraw/zinc/47/83/87/257478387.db2.gz QNPREUXFMXUSFL-CQSZACIVSA-N 1 2 355.360 2.929 20 30 FFEDLO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@H](C(F)(F)F)O1 ZINC000292276139 257478388 /nfs/dbraw/zinc/47/83/88/257478388.db2.gz QNPREUXFMXUSFL-CQSZACIVSA-N 1 2 355.360 2.929 20 30 FFEDLO N#Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000301168405 258030589 /nfs/dbraw/zinc/03/05/89/258030589.db2.gz FLISGJSXVAXJFD-UHFFFAOYSA-N 1 2 368.868 2.650 20 30 FFEDLO COc1ccc([C@H](CNc2c(C#N)cccc2C#N)[NH+]2CCOCC2)cc1 ZINC000302489346 258103261 /nfs/dbraw/zinc/10/32/61/258103261.db2.gz YRKQATVQVWVSJT-FQEVSTJZSA-N 1 2 362.433 2.924 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(Oc3ccccn3)CC2)C1=O ZINC000328597588 258116158 /nfs/dbraw/zinc/11/61/58/258116158.db2.gz AKGNJIHXVFPHMR-MRXNPFEDSA-N 1 2 368.462 2.663 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N(C3CC3)C3CCCC3)CC2)c(F)c1 ZINC000328696177 258118260 /nfs/dbraw/zinc/11/82/60/258118260.db2.gz GSHFYHPLFNFXIN-UHFFFAOYSA-N 1 2 370.472 2.753 20 30 FFEDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000331192581 258179503 /nfs/dbraw/zinc/17/95/03/258179503.db2.gz WOCOZBQKXYTORQ-CQSZACIVSA-N 1 2 350.260 2.811 20 30 FFEDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000331192581 258179504 /nfs/dbraw/zinc/17/95/04/258179504.db2.gz WOCOZBQKXYTORQ-CQSZACIVSA-N 1 2 350.260 2.811 20 30 FFEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000328790781 258120749 /nfs/dbraw/zinc/12/07/49/258120749.db2.gz YYHUINHSUQAMNG-GOSISDBHSA-N 1 2 359.495 2.753 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)CCC2 ZINC000331738682 258199042 /nfs/dbraw/zinc/19/90/42/258199042.db2.gz WIYIATJPOBNHSP-GFCCVEGCSA-N 1 2 364.858 2.573 20 30 FFEDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(C)c1 ZINC000115675047 132247489 /nfs/dbraw/zinc/24/74/89/132247489.db2.gz MVTCTHXSYWHLLA-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000052662009 506226139 /nfs/dbraw/zinc/22/61/39/506226139.db2.gz WWQCIDZNTMGIIZ-CQSZACIVSA-N 1 2 355.404 2.514 20 30 FFEDLO C=CC[C@@H](CO)NC(=O)c1ccc(OCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000410075466 512198632 /nfs/dbraw/zinc/19/86/32/512198632.db2.gz QYWCBSYGGAOOQE-KRWDZBQOSA-N 1 2 365.433 2.889 20 30 FFEDLO N#Cc1ccc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c(Br)c1 ZINC000369081188 512219423 /nfs/dbraw/zinc/21/94/23/512219423.db2.gz ASYMTHKUJDFDGZ-OAHLLOKOSA-N 1 2 361.243 2.994 20 30 FFEDLO N#CC1(c2ccccn2)CCN(C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000369105992 512230552 /nfs/dbraw/zinc/23/05/52/512230552.db2.gz CXYIOSKZSOUMBM-UHFFFAOYSA-N 1 2 374.448 2.539 20 30 FFEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1=O ZINC000410296718 512235684 /nfs/dbraw/zinc/23/56/84/512235684.db2.gz DVUIYHSZBDNAKT-QGZVFWFLSA-N 1 2 367.415 2.610 20 30 FFEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@H](CC)c3ccc(F)cc3F)CC2)C1=O ZINC000410379136 512248891 /nfs/dbraw/zinc/24/88/91/512248891.db2.gz FBTYURLXWJLAOE-RTBURBONSA-N 1 2 363.452 2.820 20 30 FFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000066174892 506434543 /nfs/dbraw/zinc/43/45/43/506434543.db2.gz OFOVJAQZJOXXIY-UHFFFAOYSA-N 1 2 358.486 2.589 20 30 FFEDLO Cc1n[nH]cc1C1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000375347973 512279256 /nfs/dbraw/zinc/27/92/56/512279256.db2.gz GQSBTHUPDPQGJK-INIZCTEOSA-N 1 2 355.467 2.636 20 30 FFEDLO COc1ccc(C)cc1NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369212463 512285015 /nfs/dbraw/zinc/28/50/15/512285015.db2.gz BWHMOYSGBCSJCD-UHFFFAOYSA-N 1 2 364.449 2.895 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000041623207 506536217 /nfs/dbraw/zinc/53/62/17/506536217.db2.gz GOIWZRISRNGJRP-OAHLLOKOSA-N 1 2 356.470 2.608 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000041623207 506536220 /nfs/dbraw/zinc/53/62/20/506536220.db2.gz GOIWZRISRNGJRP-OAHLLOKOSA-N 1 2 356.470 2.608 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000007267164 506547459 /nfs/dbraw/zinc/54/74/59/506547459.db2.gz HZIXWCNKUTZXJW-GDBMZVCRSA-N 1 2 351.406 2.657 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000007267164 506547469 /nfs/dbraw/zinc/54/74/69/506547469.db2.gz HZIXWCNKUTZXJW-GDBMZVCRSA-N 1 2 351.406 2.657 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccc(Br)s1 ZINC000008165488 506628748 /nfs/dbraw/zinc/62/87/48/506628748.db2.gz KZBMWKWRZZMZNH-CQSZACIVSA-N 1 2 358.305 2.997 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccc(Br)s1 ZINC000008165488 506628752 /nfs/dbraw/zinc/62/87/52/506628752.db2.gz KZBMWKWRZZMZNH-CQSZACIVSA-N 1 2 358.305 2.997 20 30 FFEDLO CCc1ccccc1OCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043545423 506755795 /nfs/dbraw/zinc/75/57/95/506755795.db2.gz XMAXOMGQTMQOIL-UHFFFAOYSA-N 1 2 363.461 2.844 20 30 FFEDLO CN(C)c1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000044082029 506811996 /nfs/dbraw/zinc/81/19/96/506811996.db2.gz ADQLLDRIRNZLKV-UHFFFAOYSA-N 1 2 363.465 2.974 20 30 FFEDLO N#Cc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000045027480 506908072 /nfs/dbraw/zinc/90/80/72/506908072.db2.gz VSHGZTMQGWOECF-UHFFFAOYSA-N 1 2 350.422 2.712 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000067577986 506935743 /nfs/dbraw/zinc/93/57/43/506935743.db2.gz HDBJMRGBIREZSQ-HNNXBMFYSA-N 1 2 362.499 2.877 20 30 FFEDLO CCCC[N@H+](CC(N)=O)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000045805711 507025484 /nfs/dbraw/zinc/02/54/84/507025484.db2.gz OVSOVIFWVHDALE-UHFFFAOYSA-N 1 2 373.501 2.618 20 30 FFEDLO CCCC[N@@H+](CC(N)=O)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000045805711 507025492 /nfs/dbraw/zinc/02/54/92/507025492.db2.gz OVSOVIFWVHDALE-UHFFFAOYSA-N 1 2 373.501 2.618 20 30 FFEDLO C[C@@H](C#N)CN(C)C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000046205350 507098862 /nfs/dbraw/zinc/09/88/62/507098862.db2.gz NTJDEISPUPAXBY-INIZCTEOSA-N 1 2 363.465 2.945 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000068137905 507126160 /nfs/dbraw/zinc/12/61/60/507126160.db2.gz IZNANMLVGGEQBQ-OAHLLOKOSA-N 1 2 353.426 2.534 20 30 FFEDLO Cc1c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cccc1[N+](=O)[O-] ZINC000017843394 507130084 /nfs/dbraw/zinc/13/00/84/507130084.db2.gz OIVHCNHBGAZOLA-UHFFFAOYSA-N 1 2 364.405 2.733 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)Cc1ccc(C#N)cc1 ZINC000046526545 507149633 /nfs/dbraw/zinc/14/96/33/507149633.db2.gz GLJOBVOWXPCOLQ-UHFFFAOYSA-N 1 2 359.332 2.950 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)Cc1ccc(C#N)cc1 ZINC000046526545 507149635 /nfs/dbraw/zinc/14/96/35/507149635.db2.gz GLJOBVOWXPCOLQ-UHFFFAOYSA-N 1 2 359.332 2.950 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3ccsc3)CC2)cc1 ZINC000046907097 507221573 /nfs/dbraw/zinc/22/15/73/507221573.db2.gz OGWFCVFQOHOUHI-UHFFFAOYSA-N 1 2 354.479 2.690 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)C2(C#N)CCCCC2)[NH+]2CCOCC2)c1 ZINC000057388000 507253566 /nfs/dbraw/zinc/25/35/66/507253566.db2.gz BTVZQECLJYCSEG-IBGZPJMESA-N 1 2 355.482 2.959 20 30 FFEDLO CN(C)C(=O)[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022778929 507308609 /nfs/dbraw/zinc/30/86/09/507308609.db2.gz RBJUYLJYVFQVDA-NRFANRHFSA-N 1 2 362.477 2.505 20 30 FFEDLO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000022778929 507308618 /nfs/dbraw/zinc/30/86/18/507308618.db2.gz RBJUYLJYVFQVDA-NRFANRHFSA-N 1 2 362.477 2.505 20 30 FFEDLO CN(C)C(=O)[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022778924 507308895 /nfs/dbraw/zinc/30/88/95/507308895.db2.gz RBJUYLJYVFQVDA-OAQYLSRUSA-N 1 2 362.477 2.505 20 30 FFEDLO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000022778924 507308901 /nfs/dbraw/zinc/30/89/01/507308901.db2.gz RBJUYLJYVFQVDA-OAQYLSRUSA-N 1 2 362.477 2.505 20 30 FFEDLO CC(C)[C@@H](NC(=O)C[NH+]1CCC(C#N)CC1)c1ccc2c(c1)OCCCO2 ZINC000057906240 507351413 /nfs/dbraw/zinc/35/14/13/507351413.db2.gz CMDOVYCJFHALNU-OAQYLSRUSA-N 1 2 371.481 2.897 20 30 FFEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000058017259 507364018 /nfs/dbraw/zinc/36/40/18/507364018.db2.gz YYDKFXXTFYLQGT-UHFFFAOYSA-N 1 2 351.406 2.794 20 30 FFEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000058017259 507364025 /nfs/dbraw/zinc/36/40/25/507364025.db2.gz YYDKFXXTFYLQGT-UHFFFAOYSA-N 1 2 351.406 2.794 20 30 FFEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 ZINC000069027715 507384314 /nfs/dbraw/zinc/38/43/14/507384314.db2.gz UJVWIPGKIRYHNY-UHFFFAOYSA-N 1 2 371.387 2.673 20 30 FFEDLO O=C(Nc1nnc(-c2ccco2)s1)N1CC[NH+](Cc2ccco2)CC1 ZINC000047784399 507395121 /nfs/dbraw/zinc/39/51/21/507395121.db2.gz JNADUSOJRNWSTA-UHFFFAOYSA-N 1 2 359.411 2.754 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375463876 512341588 /nfs/dbraw/zinc/34/15/88/512341588.db2.gz ALKVEBZOVFKJBW-WFASDCNBSA-N 1 2 351.410 2.635 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375463876 512341593 /nfs/dbraw/zinc/34/15/93/512341593.db2.gz ALKVEBZOVFKJBW-WFASDCNBSA-N 1 2 351.410 2.635 20 30 FFEDLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1C ZINC000060480961 507551127 /nfs/dbraw/zinc/55/11/27/507551127.db2.gz FVJANSHWTLGHPO-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO CCOc1ncccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000061523048 507616964 /nfs/dbraw/zinc/61/69/64/507616964.db2.gz LFCMNYUBSYFHFL-UHFFFAOYSA-N 1 2 365.437 2.702 20 30 FFEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000027288009 507644211 /nfs/dbraw/zinc/64/42/11/507644211.db2.gz PHIXJHICOQKJHS-UHFFFAOYSA-N 1 2 368.462 2.582 20 30 FFEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000027288009 507644215 /nfs/dbraw/zinc/64/42/15/507644215.db2.gz PHIXJHICOQKJHS-UHFFFAOYSA-N 1 2 368.462 2.582 20 30 FFEDLO C=CC[N@H+](CC(=O)NCc1ccc2c(c1)OCO2)Cc1cccc(C#N)c1 ZINC000063300717 507714123 /nfs/dbraw/zinc/71/41/23/507714123.db2.gz VMPGABPADCTZFV-UHFFFAOYSA-N 1 2 363.417 2.591 20 30 FFEDLO C=CC[N@@H+](CC(=O)NCc1ccc2c(c1)OCO2)Cc1cccc(C#N)c1 ZINC000063300717 507714130 /nfs/dbraw/zinc/71/41/30/507714130.db2.gz VMPGABPADCTZFV-UHFFFAOYSA-N 1 2 363.417 2.591 20 30 FFEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1 ZINC000051405975 507769008 /nfs/dbraw/zinc/76/90/08/507769008.db2.gz LPEAHCFLQKUWEI-UHFFFAOYSA-N 1 2 371.387 2.673 20 30 FFEDLO CC1CCC(N(C)C(=O)C[NH+]2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000029857707 507793562 /nfs/dbraw/zinc/79/35/62/507793562.db2.gz KBDBDNGRKJWGKQ-UHFFFAOYSA-N 1 2 372.488 2.856 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000030983551 507815811 /nfs/dbraw/zinc/81/58/11/507815811.db2.gz DRLCLWRAWOEARK-UHFFFAOYSA-N 1 2 352.413 2.725 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638736 507816695 /nfs/dbraw/zinc/81/66/95/507816695.db2.gz IPWRXSGVCVMLQW-DOTOQJQBSA-N 1 2 370.280 2.645 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638736 507816696 /nfs/dbraw/zinc/81/66/96/507816696.db2.gz IPWRXSGVCVMLQW-DOTOQJQBSA-N 1 2 370.280 2.645 20 30 FFEDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000031114958 507817469 /nfs/dbraw/zinc/81/74/69/507817469.db2.gz KSAXVAJNAYJNST-OXJNMPFZSA-N 1 2 358.486 2.617 20 30 FFEDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000031114958 507817470 /nfs/dbraw/zinc/81/74/70/507817470.db2.gz KSAXVAJNAYJNST-OXJNMPFZSA-N 1 2 358.486 2.617 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)c1 ZINC000106945721 507830148 /nfs/dbraw/zinc/83/01/48/507830148.db2.gz YWZHQCPXDGWBEP-LJQANCHMSA-N 1 2 372.513 2.885 20 30 FFEDLO CC(C)[C@@H]1C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCS1 ZINC000072836292 507860490 /nfs/dbraw/zinc/86/04/90/507860490.db2.gz RMOFGEZZLZXMMB-YOEHRIQHSA-N 1 2 370.478 2.585 20 30 FFEDLO CC(C)[C@@H]1C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCS1 ZINC000072836292 507860492 /nfs/dbraw/zinc/86/04/92/507860492.db2.gz RMOFGEZZLZXMMB-YOEHRIQHSA-N 1 2 370.478 2.585 20 30 FFEDLO CCn1cc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)cn1 ZINC000072988974 507881485 /nfs/dbraw/zinc/88/14/85/507881485.db2.gz DKQXILGPZZFTCL-INIZCTEOSA-N 1 2 369.469 2.679 20 30 FFEDLO CCn1cc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)cn1 ZINC000072988974 507881490 /nfs/dbraw/zinc/88/14/90/507881490.db2.gz DKQXILGPZZFTCL-INIZCTEOSA-N 1 2 369.469 2.679 20 30 FFEDLO CSCc1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000078582258 507885793 /nfs/dbraw/zinc/88/57/93/507885793.db2.gz NQYRUSOJEUYBMQ-UHFFFAOYSA-N 1 2 362.499 2.629 20 30 FFEDLO CC(C)(C)Oc1ccccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000078592241 507886686 /nfs/dbraw/zinc/88/66/86/507886686.db2.gz JLEJYJKAPLSXKI-UHFFFAOYSA-N 1 2 374.485 2.944 20 30 FFEDLO Cc1ccc2c(C[NH+]3CCN(c4ncccc4C#N)CC3)cc(=O)oc2c1 ZINC000073108275 507894717 /nfs/dbraw/zinc/89/47/17/507894717.db2.gz IEMRAPANTVLSPF-UHFFFAOYSA-N 1 2 360.417 2.690 20 30 FFEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1Cl ZINC000089970186 507894755 /nfs/dbraw/zinc/89/47/55/507894755.db2.gz JRJGKNXZUFUGQL-UHFFFAOYSA-N 1 2 361.751 2.539 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Br)cc1F ZINC000078686694 507897564 /nfs/dbraw/zinc/89/75/64/507897564.db2.gz RPHNMGGEULOUNG-UHFFFAOYSA-N 1 2 370.266 2.636 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000078691783 507898240 /nfs/dbraw/zinc/89/82/40/507898240.db2.gz GSPKVNSPINAUBO-AZUAARDMSA-N 1 2 354.498 2.682 20 30 FFEDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091067531 507948804 /nfs/dbraw/zinc/94/88/04/507948804.db2.gz ZIIAYYGGOPSFLE-IBGZPJMESA-N 1 2 365.481 2.885 20 30 FFEDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091067531 507948805 /nfs/dbraw/zinc/94/88/05/507948805.db2.gz ZIIAYYGGOPSFLE-IBGZPJMESA-N 1 2 365.481 2.885 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000079933597 508016038 /nfs/dbraw/zinc/01/60/38/508016038.db2.gz CZOXMTXOCZICEB-HNNXBMFYSA-N 1 2 352.413 2.847 20 30 FFEDLO C=CC[N@@H+](Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1)Cc1ccccc1 ZINC000092261596 508055434 /nfs/dbraw/zinc/05/54/34/508055434.db2.gz UBYPMIBCGCFJRF-LJQANCHMSA-N 1 2 359.495 2.605 20 30 FFEDLO C=CC[N@H+](Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1)Cc1ccccc1 ZINC000092261596 508055436 /nfs/dbraw/zinc/05/54/36/508055436.db2.gz UBYPMIBCGCFJRF-LJQANCHMSA-N 1 2 359.495 2.605 20 30 FFEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000111250191 508082461 /nfs/dbraw/zinc/08/24/61/508082461.db2.gz VCBOSPLBOAOOMZ-SFHVURJKSA-N 1 2 361.461 2.987 20 30 FFEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000111250191 508082462 /nfs/dbraw/zinc/08/24/62/508082462.db2.gz VCBOSPLBOAOOMZ-SFHVURJKSA-N 1 2 361.461 2.987 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000075436873 508107605 /nfs/dbraw/zinc/10/76/05/508107605.db2.gz AUIXQJHQQJPITM-HNNXBMFYSA-N 1 2 367.428 2.681 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CCN(Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000080907568 508110792 /nfs/dbraw/zinc/11/07/92/508110792.db2.gz QZUNFGFRTRKZND-MRXNPFEDSA-N 1 2 363.387 2.828 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2nc(CC(F)(F)F)no2)CC1 ZINC000075626244 508122647 /nfs/dbraw/zinc/12/26/47/508122647.db2.gz GLFULIMIEWLYCO-UHFFFAOYSA-N 1 2 365.359 2.758 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2nc(CC(F)(F)F)no2)CC1 ZINC000075626244 508122649 /nfs/dbraw/zinc/12/26/49/508122649.db2.gz GLFULIMIEWLYCO-UHFFFAOYSA-N 1 2 365.359 2.758 20 30 FFEDLO Cc1cccn2cc(COc3ccc(CN4CCO[C@H](C#N)C4)cc3)[nH+]c12 ZINC000093136048 508123504 /nfs/dbraw/zinc/12/35/04/508123504.db2.gz PKZBFSTWNQJSFU-HXUWFJFHSA-N 1 2 362.433 2.946 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000375531955 512380102 /nfs/dbraw/zinc/38/01/02/512380102.db2.gz NWOCAOSVHFHDRI-OAHLLOKOSA-N 1 2 367.428 2.632 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000375531955 512380106 /nfs/dbraw/zinc/38/01/06/512380106.db2.gz NWOCAOSVHFHDRI-OAHLLOKOSA-N 1 2 367.428 2.632 20 30 FFEDLO C=CC1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000111896169 508135476 /nfs/dbraw/zinc/13/54/76/508135476.db2.gz SMBSYAOZHWPBQV-HXUWFJFHSA-N 1 2 357.498 2.538 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+](CC)[C@H](C)CS(C)(=O)=O)ccc1OC ZINC000093391533 508143217 /nfs/dbraw/zinc/14/32/17/508143217.db2.gz ARRFBNTZXIBKIY-OAHLLOKOSA-N 1 2 355.500 2.905 20 30 FFEDLO C=C(C)COc1cc(C[N@H+](CC)[C@H](C)CS(C)(=O)=O)ccc1OC ZINC000093391533 508143220 /nfs/dbraw/zinc/14/32/20/508143220.db2.gz ARRFBNTZXIBKIY-OAHLLOKOSA-N 1 2 355.500 2.905 20 30 FFEDLO C=CCOc1ccc(C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1OC ZINC000093392527 508143344 /nfs/dbraw/zinc/14/33/44/508143344.db2.gz ABMYKIJIRANPSQ-CQSZACIVSA-N 1 2 353.484 2.658 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1OC ZINC000093392527 508143347 /nfs/dbraw/zinc/14/33/47/508143347.db2.gz ABMYKIJIRANPSQ-CQSZACIVSA-N 1 2 353.484 2.658 20 30 FFEDLO C=C(C)COc1cc(C[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)ccc1OC ZINC000093422262 508144826 /nfs/dbraw/zinc/14/48/26/508144826.db2.gz LNIVHDNAUMMYIX-GJZGRUSLSA-N 1 2 355.500 2.904 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)ccc1OC ZINC000093422262 508144827 /nfs/dbraw/zinc/14/48/27/508144827.db2.gz LNIVHDNAUMMYIX-GJZGRUSLSA-N 1 2 355.500 2.904 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000083174217 508239759 /nfs/dbraw/zinc/23/97/59/508239759.db2.gz WFHGMJALZKFXFG-OXJNMPFZSA-N 1 2 364.449 2.546 20 30 FFEDLO Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2C#N)[NH+]2CCOCC2)cc1 ZINC000076871988 508259157 /nfs/dbraw/zinc/25/91/57/508259157.db2.gz HTZQBLHMWYIKFF-SFHVURJKSA-N 1 2 367.409 2.655 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CCC[C@H](C(=O)OCC)C1)Cc1cccs1 ZINC000104883326 508350719 /nfs/dbraw/zinc/35/07/19/508350719.db2.gz CUFSBGXBJHSGGO-HNNXBMFYSA-N 1 2 350.484 2.538 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CCC[C@H](C(=O)OCC)C1)Cc1cccs1 ZINC000104883326 508350723 /nfs/dbraw/zinc/35/07/23/508350723.db2.gz CUFSBGXBJHSGGO-HNNXBMFYSA-N 1 2 350.484 2.538 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(Cl)s1 ZINC000105031564 508357427 /nfs/dbraw/zinc/35/74/27/508357427.db2.gz QFUNTOLXSSCJAI-UHFFFAOYSA-N 1 2 369.796 2.778 20 30 FFEDLO C=CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(Cl)s1 ZINC000105031564 508357428 /nfs/dbraw/zinc/35/74/28/508357428.db2.gz QFUNTOLXSSCJAI-UHFFFAOYSA-N 1 2 369.796 2.778 20 30 FFEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105297899 508369224 /nfs/dbraw/zinc/36/92/24/508369224.db2.gz LLSCTWIARNTFPC-SJORKVTESA-N 1 2 361.486 2.502 20 30 FFEDLO CC(C)c1nc(N2CCO[C@H](c3cccc(C#N)c3)C2)nc(N(C)C)[nH+]1 ZINC000367221017 512393076 /nfs/dbraw/zinc/39/30/76/512393076.db2.gz BBBLSAVLBPHWDN-INIZCTEOSA-N 1 2 352.442 2.511 20 30 FFEDLO COc1cc(NC(=O)C[N@H+](C)CC#Cc2ccc(F)cc2)cc(OC)c1 ZINC000127271569 508424171 /nfs/dbraw/zinc/42/41/71/508424171.db2.gz TVXXMRSEKIYVJR-UHFFFAOYSA-N 1 2 356.397 2.765 20 30 FFEDLO COc1cc(NC(=O)C[N@@H+](C)CC#Cc2ccc(F)cc2)cc(OC)c1 ZINC000127271569 508424176 /nfs/dbraw/zinc/42/41/76/508424176.db2.gz TVXXMRSEKIYVJR-UHFFFAOYSA-N 1 2 356.397 2.765 20 30 FFEDLO COc1ccc([C@@H](CNc2nc(C)ccc2C#N)[NH+]2CCOCC2)cc1 ZINC000127503073 508459995 /nfs/dbraw/zinc/45/99/95/508459995.db2.gz JGCINVMQTLUSQY-LJQANCHMSA-N 1 2 352.438 2.756 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000156744752 508471218 /nfs/dbraw/zinc/47/12/18/508471218.db2.gz FNSHBKMWUPCMOX-CQSZACIVSA-N 1 2 361.442 2.760 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000156744752 508471221 /nfs/dbraw/zinc/47/12/21/508471221.db2.gz FNSHBKMWUPCMOX-CQSZACIVSA-N 1 2 361.442 2.760 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000122360904 508522577 /nfs/dbraw/zinc/52/25/77/508522577.db2.gz AUGCIZMMODAMKY-UHFFFAOYSA-N 1 2 370.396 2.873 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000122360904 508522579 /nfs/dbraw/zinc/52/25/79/508522579.db2.gz AUGCIZMMODAMKY-UHFFFAOYSA-N 1 2 370.396 2.873 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000127952131 508526089 /nfs/dbraw/zinc/52/60/89/508526089.db2.gz HHXBHLLWJPHMFV-CYBMUJFWSA-N 1 2 357.376 2.514 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000127952131 508526095 /nfs/dbraw/zinc/52/60/95/508526095.db2.gz HHXBHLLWJPHMFV-CYBMUJFWSA-N 1 2 357.376 2.514 20 30 FFEDLO Cc1ccc(OCC[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000128351734 508581243 /nfs/dbraw/zinc/58/12/43/508581243.db2.gz BDZIEXTZDVPVPU-UHFFFAOYSA-N 1 2 358.463 2.651 20 30 FFEDLO Cc1ccc(OCC[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000128351734 508581245 /nfs/dbraw/zinc/58/12/45/508581245.db2.gz BDZIEXTZDVPVPU-UHFFFAOYSA-N 1 2 358.463 2.651 20 30 FFEDLO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000157630753 508589499 /nfs/dbraw/zinc/58/94/99/508589499.db2.gz DGXZZZIXHZLXTL-IRXDYDNUSA-N 1 2 364.453 2.859 20 30 FFEDLO C#Cc1cccc(NC(=O)CN(C)c2cc(C)[nH+]c(-c3ccncc3)n2)c1 ZINC000135468067 508608796 /nfs/dbraw/zinc/60/87/96/508608796.db2.gz GGTTVOVHHNJTCO-UHFFFAOYSA-N 1 2 357.417 2.903 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](c3nncn3C(C)C)C2)c(C#N)c1C ZINC000118860825 508687818 /nfs/dbraw/zinc/68/78/18/508687818.db2.gz XBNPPPBUHRQNTQ-HNNXBMFYSA-N 1 2 370.457 2.759 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](c3nncn3C(C)C)C2)c(C#N)c1C ZINC000118860825 508687822 /nfs/dbraw/zinc/68/78/22/508687822.db2.gz XBNPPPBUHRQNTQ-HNNXBMFYSA-N 1 2 370.457 2.759 20 30 FFEDLO Cc1ncc(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])s1 ZINC000153984289 508692083 /nfs/dbraw/zinc/69/20/83/508692083.db2.gz FYBSSQWKZRAYEK-UHFFFAOYSA-N 1 2 353.451 2.611 20 30 FFEDLO N#Cc1ccccc1OCC[N@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000119292529 508766192 /nfs/dbraw/zinc/76/61/92/508766192.db2.gz HULTVDPWRWCPKM-IBGZPJMESA-N 1 2 350.418 2.911 20 30 FFEDLO N#Cc1ccccc1OCC[N@@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000119292529 508766196 /nfs/dbraw/zinc/76/61/96/508766196.db2.gz HULTVDPWRWCPKM-IBGZPJMESA-N 1 2 350.418 2.911 20 30 FFEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159154309 508800426 /nfs/dbraw/zinc/80/04/26/508800426.db2.gz YIDLYFFDADTFJT-MRXNPFEDSA-N 1 2 365.437 2.722 20 30 FFEDLO C=CCC[C@@H](NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000131018709 508877657 /nfs/dbraw/zinc/87/76/57/508877657.db2.gz RAZYIZBHEBJYKB-LJQANCHMSA-N 1 2 367.497 2.955 20 30 FFEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000125201287 508946920 /nfs/dbraw/zinc/94/69/20/508946920.db2.gz YIBTUQPPVSQJJC-UHFFFAOYSA-N 1 2 353.325 2.723 20 30 FFEDLO COc1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc2c1OCO2 ZINC000155269720 508962577 /nfs/dbraw/zinc/96/25/77/508962577.db2.gz LPWGCFUNHONPDI-GOSISDBHSA-N 1 2 365.433 2.806 20 30 FFEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000151260307 508988259 /nfs/dbraw/zinc/98/82/59/508988259.db2.gz OXZBLUFTFMNJIU-WFASDCNBSA-N 1 2 364.858 2.680 20 30 FFEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000132377113 509023686 /nfs/dbraw/zinc/02/36/86/509023686.db2.gz PONGDZPAUCMLOW-UHFFFAOYSA-N 1 2 366.240 2.931 20 30 FFEDLO Cn1cc(Br)cc1C[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000151585317 509048326 /nfs/dbraw/zinc/04/83/26/509048326.db2.gz HCQIRMHAXLOISK-UHFFFAOYSA-N 1 2 361.243 2.730 20 30 FFEDLO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000151585317 509048328 /nfs/dbraw/zinc/04/83/28/509048328.db2.gz HCQIRMHAXLOISK-UHFFFAOYSA-N 1 2 361.243 2.730 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000120752620 509058763 /nfs/dbraw/zinc/05/87/63/509058763.db2.gz BXYGMCNCEHTMQO-DKSSEZFCSA-N 1 2 358.463 2.821 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000120752620 509058767 /nfs/dbraw/zinc/05/87/67/509058767.db2.gz BXYGMCNCEHTMQO-DKSSEZFCSA-N 1 2 358.463 2.821 20 30 FFEDLO C=CC[C@H]1N(C(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCCC1(C)C ZINC000411002144 512434900 /nfs/dbraw/zinc/43/49/00/512434900.db2.gz IQDFHJZEUNVQIH-QZTJIDSGSA-N 1 2 371.481 2.655 20 30 FFEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000120780566 509063595 /nfs/dbraw/zinc/06/35/95/509063595.db2.gz MVIYHWRMYDOZJT-UHFFFAOYSA-N 1 2 350.397 2.900 20 30 FFEDLO CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000133183606 509128496 /nfs/dbraw/zinc/12/84/96/509128496.db2.gz AYEGGRQDOYNEBI-UHFFFAOYSA-N 1 2 353.426 2.599 20 30 FFEDLO N#Cc1ccsc1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000161559404 509129117 /nfs/dbraw/zinc/12/91/17/509129117.db2.gz NMEOOSKKBKIEIJ-UHFFFAOYSA-N 1 2 374.897 2.825 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc2c1OCCO2 ZINC000126924179 509148439 /nfs/dbraw/zinc/14/84/39/509148439.db2.gz ODVOSGCZILHRCE-UHFFFAOYSA-N 1 2 365.433 2.660 20 30 FFEDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1C ZINC000121210087 509150587 /nfs/dbraw/zinc/15/05/87/509150587.db2.gz DNRGKOIUDJMCHB-UHFFFAOYSA-N 1 2 369.490 2.682 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000263891660 509210603 /nfs/dbraw/zinc/21/06/03/509210603.db2.gz SUFYTLXJRRPEQF-JXFKEZNVSA-N 1 2 357.454 2.649 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000263891660 509210608 /nfs/dbraw/zinc/21/06/08/509210608.db2.gz SUFYTLXJRRPEQF-JXFKEZNVSA-N 1 2 357.454 2.649 20 30 FFEDLO CC(C)(C)OC(=O)C1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000263892816 509212286 /nfs/dbraw/zinc/21/22/86/509212286.db2.gz URRGHSLFKYLTSP-UHFFFAOYSA-N 1 2 371.481 2.987 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC000185566780 509241048 /nfs/dbraw/zinc/24/10/48/509241048.db2.gz UNXRBVAGRQRJJP-UHFFFAOYSA-N 1 2 353.373 2.751 20 30 FFEDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000216593699 509262342 /nfs/dbraw/zinc/26/23/42/509262342.db2.gz ZIMSNURUPWIRQM-VQIMIIECSA-N 1 2 372.488 2.856 20 30 FFEDLO C=CCN(CCOC)C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000191960111 509263928 /nfs/dbraw/zinc/26/39/28/509263928.db2.gz LOJHOZAEBMRXKP-UHFFFAOYSA-N 1 2 369.465 2.818 20 30 FFEDLO C[C@H](C(=O)Nc1nccs1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264083495 509322433 /nfs/dbraw/zinc/32/24/33/509322433.db2.gz DYLLZGOMNZKIHB-CYBMUJFWSA-N 1 2 356.451 2.885 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000189118044 509420189 /nfs/dbraw/zinc/42/01/89/509420189.db2.gz IRGVXCPVYDYEKH-AWEZNQCLSA-N 1 2 367.453 2.709 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000248717580 509450033 /nfs/dbraw/zinc/45/00/33/509450033.db2.gz NWJDZAVJVQUIOM-HOCLYGCPSA-N 1 2 361.492 2.545 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000248717580 509450037 /nfs/dbraw/zinc/45/00/37/509450037.db2.gz NWJDZAVJVQUIOM-HOCLYGCPSA-N 1 2 361.492 2.545 20 30 FFEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000164219994 509478222 /nfs/dbraw/zinc/47/82/22/509478222.db2.gz FPIHNBNFRBCIEY-INIZCTEOSA-N 1 2 357.435 2.727 20 30 FFEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000164219994 509478230 /nfs/dbraw/zinc/47/82/30/509478230.db2.gz FPIHNBNFRBCIEY-INIZCTEOSA-N 1 2 357.435 2.727 20 30 FFEDLO C[C@@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3C#N)c[nH+]2)C[C@@H](C)O1 ZINC000264472033 509547539 /nfs/dbraw/zinc/54/75/39/509547539.db2.gz NVDLTWMYVQZJGZ-VXGBXAGGSA-N 1 2 354.370 2.614 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000179640715 509550112 /nfs/dbraw/zinc/55/01/12/509550112.db2.gz KXGVKTUWYAMNCQ-UHFFFAOYSA-N 1 2 364.478 2.862 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)s1 ZINC000173374162 509560548 /nfs/dbraw/zinc/56/05/48/509560548.db2.gz JOINWQWUNWYEDX-UHFFFAOYSA-N 1 2 372.498 2.770 20 30 FFEDLO COc1ccc(OC)c2c1C[N@H+](Cc1ccc(OCC#N)cc1)C[C@H]2O ZINC000264544714 509591888 /nfs/dbraw/zinc/59/18/88/509591888.db2.gz IYTGNROZVUGTJY-QGZVFWFLSA-N 1 2 354.406 2.655 20 30 FFEDLO COc1ccc(OC)c2c1C[N@@H+](Cc1ccc(OCC#N)cc1)C[C@H]2O ZINC000264544714 509591895 /nfs/dbraw/zinc/59/18/95/509591895.db2.gz IYTGNROZVUGTJY-QGZVFWFLSA-N 1 2 354.406 2.655 20 30 FFEDLO N#Cc1ccc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000267913711 509667510 /nfs/dbraw/zinc/66/75/10/509667510.db2.gz GTCDQXANPWWMSZ-GOSISDBHSA-N 1 2 352.394 2.952 20 30 FFEDLO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)OC(C)(C)C ZINC000170645981 509695184 /nfs/dbraw/zinc/69/51/84/509695184.db2.gz GCORQLHLYHKGGM-UHFFFAOYSA-N 1 2 351.834 2.814 20 30 FFEDLO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)OC(C)(C)C ZINC000170645981 509695190 /nfs/dbraw/zinc/69/51/90/509695190.db2.gz GCORQLHLYHKGGM-UHFFFAOYSA-N 1 2 351.834 2.814 20 30 FFEDLO CC1(C2CC[NH+](CC(=O)Nc3cc(Cl)ccc3C#N)CC2)OCCO1 ZINC000268086316 509748590 /nfs/dbraw/zinc/74/85/90/509748590.db2.gz HPHZUSSYRWEXSO-UHFFFAOYSA-N 1 2 363.845 2.625 20 30 FFEDLO C#CCOc1ccc(F)cc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000173780692 509772550 /nfs/dbraw/zinc/77/25/50/509772550.db2.gz BQVSSYKXGIAFIH-UHFFFAOYSA-N 1 2 354.385 2.587 20 30 FFEDLO O=C(C[NH+]1CCN(CC#Cc2ccc(Cl)cc2)CC1)N1CCCCCC1 ZINC000176993631 509807351 /nfs/dbraw/zinc/80/73/51/509807351.db2.gz OKXPXABBAJSHKA-UHFFFAOYSA-N 1 2 373.928 2.712 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(C)(CO)CC1 ZINC000186938843 509962361 /nfs/dbraw/zinc/96/23/61/509962361.db2.gz XTVHMDQPNMRAGV-OAHLLOKOSA-N 1 2 361.511 2.971 20 30 FFEDLO CC[C@@H](CC#N)NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000183840683 510002188 /nfs/dbraw/zinc/00/21/88/510002188.db2.gz HIPIVDLQYSMLSU-INIZCTEOSA-N 1 2 352.438 2.965 20 30 FFEDLO C=CCOc1cccc(NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000183965010 510061753 /nfs/dbraw/zinc/06/17/53/510061753.db2.gz KAXXXTNQEHZKCM-UHFFFAOYSA-N 1 2 353.426 2.704 20 30 FFEDLO CC(C)c1ccccc1NC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193774037 510061880 /nfs/dbraw/zinc/06/18/80/510061880.db2.gz CCVPHXRURWWOJB-UHFFFAOYSA-N 1 2 363.465 2.837 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245714233 510102875 /nfs/dbraw/zinc/10/28/75/510102875.db2.gz UMDPLSXZYXLEIY-AZUAARDMSA-N 1 2 355.388 2.941 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)Cc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245714233 510102882 /nfs/dbraw/zinc/10/28/82/510102882.db2.gz UMDPLSXZYXLEIY-AZUAARDMSA-N 1 2 355.388 2.941 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1cccc(Cl)c1Cl ZINC000193959942 510150763 /nfs/dbraw/zinc/15/07/63/510150763.db2.gz XDWNWKXYSVIPHY-UHFFFAOYSA-N 1 2 370.280 2.610 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000171630807 510261773 /nfs/dbraw/zinc/26/17/73/510261773.db2.gz WQFIFMMMKTVCNF-CQSZACIVSA-N 1 2 355.467 2.843 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000171630807 510261783 /nfs/dbraw/zinc/26/17/83/510261783.db2.gz WQFIFMMMKTVCNF-CQSZACIVSA-N 1 2 355.467 2.843 20 30 FFEDLO C#Cc1cccc(NC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000269199483 510286249 /nfs/dbraw/zinc/28/62/49/510286249.db2.gz HHFGRQFECOLNFW-UHFFFAOYSA-N 1 2 357.454 2.596 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2cnc(-c3ccco3)s2)CC1 ZINC000194318172 510309705 /nfs/dbraw/zinc/30/97/05/510309705.db2.gz IAPMDAHFXUVCPD-UHFFFAOYSA-N 1 2 351.435 2.992 20 30 FFEDLO Cn1nccc1C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181437043 510407489 /nfs/dbraw/zinc/40/74/89/510407489.db2.gz YEOZAFICAKZDCM-KRWDZBQOSA-N 1 2 374.286 2.565 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000184655147 510441771 /nfs/dbraw/zinc/44/17/71/510441771.db2.gz HJEFXQQEULRRRD-JKSUJKDBSA-N 1 2 350.532 2.635 20 30 FFEDLO Cc1c(NC(=O)[C@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C)cccc1[N+](=O)[O-] ZINC000266247116 510480463 /nfs/dbraw/zinc/48/04/63/510480463.db2.gz YZWICSJNYSVSOZ-STQMWFEESA-N 1 2 366.418 2.580 20 30 FFEDLO C#CCOc1cc(F)ccc1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000266429535 510582377 /nfs/dbraw/zinc/58/23/77/510582377.db2.gz UMAKGVWYFSFQMK-UHFFFAOYSA-N 1 2 368.412 2.582 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246679430 510614040 /nfs/dbraw/zinc/61/40/40/510614040.db2.gz JVHLOPVVVJXREK-JJXUHFIVSA-N 1 2 370.424 2.899 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246679430 510614047 /nfs/dbraw/zinc/61/40/47/510614047.db2.gz JVHLOPVVVJXREK-JJXUHFIVSA-N 1 2 370.424 2.899 20 30 FFEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000175382369 510618159 /nfs/dbraw/zinc/61/81/59/510618159.db2.gz MBRGCKJMSWTXAF-MQNRADLISA-N 1 2 361.511 2.759 20 30 FFEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000175382369 510618167 /nfs/dbraw/zinc/61/81/67/510618167.db2.gz MBRGCKJMSWTXAF-MQNRADLISA-N 1 2 361.511 2.759 20 30 FFEDLO CC[N@H+](CCCNS(=O)(=O)c1ccc(C#N)cc1OC)c1ccccc1 ZINC000185410912 510838378 /nfs/dbraw/zinc/83/83/78/510838378.db2.gz ZPDAQYULNAVWGD-UHFFFAOYSA-N 1 2 373.478 2.762 20 30 FFEDLO CC[N@@H+](CCCNS(=O)(=O)c1ccc(C#N)cc1OC)c1ccccc1 ZINC000185410912 510838382 /nfs/dbraw/zinc/83/83/82/510838382.db2.gz ZPDAQYULNAVWGD-UHFFFAOYSA-N 1 2 373.478 2.762 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000185427855 510842001 /nfs/dbraw/zinc/84/20/01/510842001.db2.gz BMCZMSQGXQOKEW-CDEUHXGRSA-N 1 2 367.540 2.576 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000185427855 510842003 /nfs/dbraw/zinc/84/20/03/510842003.db2.gz BMCZMSQGXQOKEW-CDEUHXGRSA-N 1 2 367.540 2.576 20 30 FFEDLO [O-]C(NC[C@H]1CCO[C@@H]1c1ccccc1)=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329903220 510874113 /nfs/dbraw/zinc/87/41/13/510874113.db2.gz IEAVZHXZGUKEAE-SZVBFZGTSA-N 1 2 354.454 2.727 20 30 FFEDLO CC(C)c1cc(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)nn1C ZINC000329963518 510888998 /nfs/dbraw/zinc/88/89/98/510888998.db2.gz TZJIKYFOTQMISL-UHFFFAOYSA-N 1 2 368.441 2.893 20 30 FFEDLO CCN1CCN(C(=O)N[C@H]2CCOc3c(F)cccc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000329986030 510894148 /nfs/dbraw/zinc/89/41/48/510894148.db2.gz DWQYHLJMVDQTLV-HOTGVXAUSA-N 1 2 373.432 2.665 20 30 FFEDLO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000270585671 510915007 /nfs/dbraw/zinc/91/50/07/510915007.db2.gz HBZROVKYVLJNMV-OAHLLOKOSA-N 1 2 365.481 2.736 20 30 FFEDLO COc1cccc(CNC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000330130334 510921820 /nfs/dbraw/zinc/92/18/20/510921820.db2.gz OXJPLNYHLISTJG-FTRWYGJKSA-N 1 2 362.470 2.810 20 30 FFEDLO COc1cccc(CNC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000330130334 510921825 /nfs/dbraw/zinc/92/18/25/510921825.db2.gz OXJPLNYHLISTJG-FTRWYGJKSA-N 1 2 362.470 2.810 20 30 FFEDLO CC1(C)CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@@H](C(F)(F)F)O1 ZINC000330204726 510935956 /nfs/dbraw/zinc/93/59/56/510935956.db2.gz CXOWDMIQZSJMTP-RYUDHWBXSA-N 1 2 360.380 2.716 20 30 FFEDLO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000276441910 510938827 /nfs/dbraw/zinc/93/88/27/510938827.db2.gz RQRBIDOAKNUGSR-UHFFFAOYSA-N 1 2 372.513 2.952 20 30 FFEDLO Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000330219888 510940404 /nfs/dbraw/zinc/94/04/04/510940404.db2.gz KLKRWLMMEAXMSH-QGZVFWFLSA-N 1 2 364.490 2.675 20 30 FFEDLO O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330231394 510942451 /nfs/dbraw/zinc/94/24/51/510942451.db2.gz RBGHAOKETHXXMR-PBHICJAKSA-N 1 2 350.488 2.558 20 30 FFEDLO CCn1nc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1C1CC1 ZINC000330241558 510945958 /nfs/dbraw/zinc/94/59/58/510945958.db2.gz JBSWAVNSIKHXEB-UHFFFAOYSA-N 1 2 354.458 2.592 20 30 FFEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000330309346 510961593 /nfs/dbraw/zinc/96/15/93/510961593.db2.gz MTOOFLUHZMVMSF-KPZWWZAWSA-N 1 2 354.435 2.783 20 30 FFEDLO CCS[C@@H]1CCC[C@H](NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000330327518 510964729 /nfs/dbraw/zinc/96/47/29/510964729.db2.gz KZDVCCVGZXMSLR-ARFHVFGLSA-N 1 2 365.547 2.687 20 30 FFEDLO CCn1cc([C@H]2OCCC[C@@H]2NC(=O)[C@@H](C)[NH+]2CCSCC2)cn1 ZINC000330338842 510969714 /nfs/dbraw/zinc/96/97/14/510969714.db2.gz VWSLYAMQQRBJDU-VNQPRFMTSA-N 1 2 352.504 2.517 20 30 FFEDLO COc1cc(OC)cc([C@H](NC(=O)CC(C)(C)C#N)c2[nH+]ccn2C)c1 ZINC000278207178 510985518 /nfs/dbraw/zinc/98/55/18/510985518.db2.gz GTTZXZACTKLCJI-KRWDZBQOSA-N 1 2 356.426 2.583 20 30 FFEDLO COC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC(C)(C)O1 ZINC000330511453 510989062 /nfs/dbraw/zinc/98/90/62/510989062.db2.gz BXOJETMCWMTOFM-DOMZBBRYSA-N 1 2 365.861 2.664 20 30 FFEDLO COC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC(C)(C)O1 ZINC000330511453 510989066 /nfs/dbraw/zinc/98/90/66/510989066.db2.gz BXOJETMCWMTOFM-DOMZBBRYSA-N 1 2 365.861 2.664 20 30 FFEDLO C#CCOc1ccc(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000297574689 510996639 /nfs/dbraw/zinc/99/66/39/510996639.db2.gz QSAVNEXFCLTYBU-QFBILLFUSA-N 1 2 352.438 2.688 20 30 FFEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000278654036 511002754 /nfs/dbraw/zinc/00/27/54/511002754.db2.gz QAEMWQLCYUOGSZ-QFBILLFUSA-N 1 2 369.490 2.838 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000278976339 511015988 /nfs/dbraw/zinc/01/59/88/511015988.db2.gz DABBXLCWQRMXKZ-SOLBZPMBSA-N 1 2 364.511 2.527 20 30 FFEDLO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000331202428 511050174 /nfs/dbraw/zinc/05/01/74/511050174.db2.gz XLRKRNLHEXTUOP-CQSZACIVSA-N 1 2 368.275 2.945 20 30 FFEDLO CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000331202428 511050177 /nfs/dbraw/zinc/05/01/77/511050177.db2.gz XLRKRNLHEXTUOP-CQSZACIVSA-N 1 2 368.275 2.945 20 30 FFEDLO CCCc1c(NC(=O)NCCn2cc[nH+]c2)cnn1-c1cccc(C#N)c1 ZINC000364757784 511064268 /nfs/dbraw/zinc/06/42/68/511064268.db2.gz UMIOORXSVHPCMY-UHFFFAOYSA-N 1 2 363.425 2.715 20 30 FFEDLO CN(C(=O)C[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1)C1(C#N)CCCCC1 ZINC000331607312 511069579 /nfs/dbraw/zinc/06/95/79/511069579.db2.gz OTZQCEBVMZYUGY-MSOLQXFVSA-N 1 2 359.445 2.618 20 30 FFEDLO CN(C(=O)C[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1)C1(C#N)CCCCC1 ZINC000331607312 511069583 /nfs/dbraw/zinc/06/95/83/511069583.db2.gz OTZQCEBVMZYUGY-MSOLQXFVSA-N 1 2 359.445 2.618 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(Cl)c1OC ZINC000271054014 511069804 /nfs/dbraw/zinc/06/98/04/511069804.db2.gz XYQSRCYNIPZPLO-UHFFFAOYSA-N 1 2 372.856 2.946 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279419754 511076891 /nfs/dbraw/zinc/07/68/91/511076891.db2.gz WTLPUDJFCYZERV-GUXCAODWSA-N 1 2 371.481 2.830 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279419754 511076896 /nfs/dbraw/zinc/07/68/96/511076896.db2.gz WTLPUDJFCYZERV-GUXCAODWSA-N 1 2 371.481 2.830 20 30 FFEDLO C=CCC[C@@H](NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000289254168 511097357 /nfs/dbraw/zinc/09/73/57/511097357.db2.gz FYPXKEDIZRHJIB-GOSISDBHSA-N 1 2 366.465 2.939 20 30 FFEDLO N#CCCCOc1cccnc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000364889289 511136320 /nfs/dbraw/zinc/13/63/20/511136320.db2.gz QJQQKFHDUWRBHJ-CQSZACIVSA-N 1 2 354.414 2.899 20 30 FFEDLO N#Cc1ccnc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000283077492 511225515 /nfs/dbraw/zinc/22/55/15/511225515.db2.gz VKUNRICJPRQWMJ-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO N#Cc1ccnc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000283077492 511225518 /nfs/dbraw/zinc/22/55/18/511225518.db2.gz VKUNRICJPRQWMJ-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO N#CCC1(CS(=O)(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC000333417670 511237058 /nfs/dbraw/zinc/23/70/58/511237058.db2.gz LGLIBFIATBHDRK-UHFFFAOYSA-N 1 2 362.499 2.575 20 30 FFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CC(C)(C)CC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000295049198 511264010 /nfs/dbraw/zinc/26/40/10/511264010.db2.gz AYAXSZSLULRIFS-JKSUJKDBSA-N 1 2 371.453 2.569 20 30 FFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CC(C)(C)CC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000295049198 511264015 /nfs/dbraw/zinc/26/40/15/511264015.db2.gz AYAXSZSLULRIFS-JKSUJKDBSA-N 1 2 371.453 2.569 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCCCNC1=O ZINC000365169563 511297066 /nfs/dbraw/zinc/29/70/66/511297066.db2.gz WRQRLFYDMGVBOK-ZBFHGGJFSA-N 1 2 374.510 2.620 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000365169563 511297068 /nfs/dbraw/zinc/29/70/68/511297068.db2.gz WRQRLFYDMGVBOK-ZBFHGGJFSA-N 1 2 374.510 2.620 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000280224855 511382793 /nfs/dbraw/zinc/38/27/93/511382793.db2.gz ACFAEXLPGMJNHB-TXPKVOOTSA-N 1 2 364.511 2.531 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000280224855 511382798 /nfs/dbraw/zinc/38/27/98/511382798.db2.gz ACFAEXLPGMJNHB-TXPKVOOTSA-N 1 2 364.511 2.531 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@H](c2noc([C@H](C#N)Cc3ccc(C#N)cc3)n2)C1 ZINC000280287542 511408135 /nfs/dbraw/zinc/40/81/35/511408135.db2.gz MIXOXTWQZJCZTF-IRXDYDNUSA-N 1 2 351.410 2.573 20 30 FFEDLO CC(C)[N@H+]1CCO[C@H](c2noc([C@H](C#N)Cc3ccc(C#N)cc3)n2)C1 ZINC000280287542 511408139 /nfs/dbraw/zinc/40/81/39/511408139.db2.gz MIXOXTWQZJCZTF-IRXDYDNUSA-N 1 2 351.410 2.573 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280311082 511416285 /nfs/dbraw/zinc/41/62/85/511416285.db2.gz GIEJSIZTEXOSDV-UTKZUKDTSA-N 1 2 371.481 2.592 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280311082 511416287 /nfs/dbraw/zinc/41/62/87/511416287.db2.gz GIEJSIZTEXOSDV-UTKZUKDTSA-N 1 2 371.481 2.592 20 30 FFEDLO C=C(C)Cn1c(N2CC[NH+](Cc3cc(C)no3)CC2)nnc1C(C)(C)C ZINC000283642653 511446654 /nfs/dbraw/zinc/44/66/54/511446654.db2.gz PBVREERJQOYMLL-UHFFFAOYSA-N 1 2 358.490 2.770 20 30 FFEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(C#N)cc1Br)CCO2 ZINC000280534168 511501936 /nfs/dbraw/zinc/50/19/36/511501936.db2.gz SOUUWGWTQIQCFJ-MLGOLLRUSA-N 1 2 351.244 2.701 20 30 FFEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C#N)cc1Br)CCO2 ZINC000280534168 511501941 /nfs/dbraw/zinc/50/19/41/511501941.db2.gz SOUUWGWTQIQCFJ-MLGOLLRUSA-N 1 2 351.244 2.701 20 30 FFEDLO CC(C)[C@@H](C#N)NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000272817327 511507586 /nfs/dbraw/zinc/50/75/86/511507586.db2.gz ODALFGFRSBFOAE-MRXNPFEDSA-N 1 2 352.438 2.821 20 30 FFEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]CC(=O)N(CC)CCC#N)n2)cc1 ZINC000273262708 511520054 /nfs/dbraw/zinc/52/00/54/511520054.db2.gz CIUXANGPVLSLGV-AWEZNQCLSA-N 1 2 355.442 2.712 20 30 FFEDLO Cc1nsc(NCc2cccc(OCC[NH+]3CCOCC3)c2)c1C#N ZINC000283865350 511527209 /nfs/dbraw/zinc/52/72/09/511527209.db2.gz UPZVUFVJUBQGDY-UHFFFAOYSA-N 1 2 358.467 2.646 20 30 FFEDLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292261759 511528177 /nfs/dbraw/zinc/52/81/77/511528177.db2.gz RMKOAMUDCAFVKO-ZFWWWQNUSA-N 1 2 361.405 2.554 20 30 FFEDLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292261759 511528181 /nfs/dbraw/zinc/52/81/81/511528181.db2.gz RMKOAMUDCAFVKO-ZFWWWQNUSA-N 1 2 361.405 2.554 20 30 FFEDLO N#CC1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000280648250 511547603 /nfs/dbraw/zinc/54/76/03/511547603.db2.gz JJKJLICUEHICSW-MOPGFXCFSA-N 1 2 353.466 2.572 20 30 FFEDLO N#CC1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CCCCC1 ZINC000280648250 511547609 /nfs/dbraw/zinc/54/76/09/511547609.db2.gz JJKJLICUEHICSW-MOPGFXCFSA-N 1 2 353.466 2.572 20 30 FFEDLO Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292379475 511574520 /nfs/dbraw/zinc/57/45/20/511574520.db2.gz ZBCZDRSUJDADIZ-KRWDZBQOSA-N 1 2 350.422 2.662 20 30 FFEDLO Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292379475 511574525 /nfs/dbraw/zinc/57/45/25/511574525.db2.gz ZBCZDRSUJDADIZ-KRWDZBQOSA-N 1 2 350.422 2.662 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](Cc2cnnn2Cc2ccccc2)CC1 ZINC000292641119 511669249 /nfs/dbraw/zinc/66/92/49/511669249.db2.gz WSPYJUXQQPNQTP-UHFFFAOYSA-N 1 2 358.449 2.520 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](c3ccncn3)C2)c(C#N)c1C ZINC000365882736 511707413 /nfs/dbraw/zinc/70/74/13/511707413.db2.gz PEZUOYVFMJTMKW-AWEZNQCLSA-N 1 2 355.467 2.845 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](c3ccncn3)C2)c(C#N)c1C ZINC000365882736 511707416 /nfs/dbraw/zinc/70/74/16/511707416.db2.gz PEZUOYVFMJTMKW-AWEZNQCLSA-N 1 2 355.467 2.845 20 30 FFEDLO C=C(C)[C@@H](Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1)c1ccc(F)c(F)c1 ZINC000302509943 511709803 /nfs/dbraw/zinc/70/98/03/511709803.db2.gz WYUTWVUYGAKAEX-LJQANCHMSA-N 1 2 373.407 2.763 20 30 FFEDLO C=C(C)[C@@H](Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)c1ccc(F)c(F)c1 ZINC000302509943 511709804 /nfs/dbraw/zinc/70/98/04/511709804.db2.gz WYUTWVUYGAKAEX-LJQANCHMSA-N 1 2 373.407 2.763 20 30 FFEDLO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](Oc4ncccc4F)C3)n2c1 ZINC000365937257 511738799 /nfs/dbraw/zinc/73/87/99/511738799.db2.gz PVZHDDUGENZCAU-INIZCTEOSA-N 1 2 351.385 2.783 20 30 FFEDLO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H](Oc4ncccc4F)C3)n2c1 ZINC000365937257 511738805 /nfs/dbraw/zinc/73/88/05/511738805.db2.gz PVZHDDUGENZCAU-INIZCTEOSA-N 1 2 351.385 2.783 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000303700405 511747702 /nfs/dbraw/zinc/74/77/02/511747702.db2.gz ODJZFLSQMMXSBV-MJGOQNOKSA-N 1 2 357.498 2.927 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000303700405 511747704 /nfs/dbraw/zinc/74/77/04/511747704.db2.gz ODJZFLSQMMXSBV-MJGOQNOKSA-N 1 2 357.498 2.927 20 30 FFEDLO CC(C)(C)OC(=O)N1CC2(C1)C[N@H+](Cc1cc(C#N)ccc1F)CCO2 ZINC000292886495 511758606 /nfs/dbraw/zinc/75/86/06/511758606.db2.gz YISVBUYJUULOOJ-UHFFFAOYSA-N 1 2 361.417 2.519 20 30 FFEDLO CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](Cc1cc(C#N)ccc1F)CCO2 ZINC000292886495 511758608 /nfs/dbraw/zinc/75/86/08/511758608.db2.gz YISVBUYJUULOOJ-UHFFFAOYSA-N 1 2 361.417 2.519 20 30 FFEDLO C#CCCCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1[nH+]ccn1C ZINC000284609681 511791267 /nfs/dbraw/zinc/79/12/67/511791267.db2.gz TXGSAFGMBJPLIB-INIZCTEOSA-N 1 2 374.485 2.734 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000284747867 511850543 /nfs/dbraw/zinc/85/05/43/511850543.db2.gz JFLCFXPRECJFCX-OIISXLGYSA-N 1 2 365.271 2.683 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000284747867 511850548 /nfs/dbraw/zinc/85/05/48/511850548.db2.gz JFLCFXPRECJFCX-OIISXLGYSA-N 1 2 365.271 2.683 20 30 FFEDLO O=C(C[N@@H+]1CCCN(C(=O)C2CC2)CC1)N[C@H]1CCCc2ccccc21 ZINC000328618852 511894758 /nfs/dbraw/zinc/89/47/58/511894758.db2.gz VLYZEYKXFPPHAC-IBGZPJMESA-N 1 2 355.482 2.965 20 30 FFEDLO O=C(C[N@H+]1CCCN(C(=O)C2CC2)CC1)N[C@H]1CCCc2ccccc21 ZINC000328618852 511894766 /nfs/dbraw/zinc/89/47/66/511894766.db2.gz VLYZEYKXFPPHAC-IBGZPJMESA-N 1 2 355.482 2.965 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H]1CCC[C@H]1C ZINC000328731575 511923246 /nfs/dbraw/zinc/92/32/46/511923246.db2.gz WZDPVYHMDWNOMQ-DUUDNCRHSA-N 1 2 352.454 2.896 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H]1CCC[C@H]1C ZINC000328731575 511923251 /nfs/dbraw/zinc/92/32/51/511923251.db2.gz WZDPVYHMDWNOMQ-DUUDNCRHSA-N 1 2 352.454 2.896 20 30 FFEDLO Cc1nc([C@H]2CCCOC2)sc1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000328794596 511932907 /nfs/dbraw/zinc/93/29/07/511932907.db2.gz BMMAVUAWJSIBAG-AWEZNQCLSA-N 1 2 367.515 2.761 20 30 FFEDLO Cc1nc([C@H]2CCCOC2)sc1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000328794596 511932909 /nfs/dbraw/zinc/93/29/09/511932909.db2.gz BMMAVUAWJSIBAG-AWEZNQCLSA-N 1 2 367.515 2.761 20 30 FFEDLO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC[C@H]3CCCO3)C2)no1 ZINC000328882446 511944968 /nfs/dbraw/zinc/94/49/68/511944968.db2.gz MUKPAYQTKOBZLK-RBSFLKMASA-N 1 2 350.463 2.896 20 30 FFEDLO CC(C)c1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)NC[C@H]3CCCO3)C2)no1 ZINC000328882446 511944976 /nfs/dbraw/zinc/94/49/76/511944976.db2.gz MUKPAYQTKOBZLK-RBSFLKMASA-N 1 2 350.463 2.896 20 30 FFEDLO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC[C@@H]3CCCO3)C2)no1 ZINC000328882445 511945154 /nfs/dbraw/zinc/94/51/54/511945154.db2.gz MUKPAYQTKOBZLK-KFWWJZLASA-N 1 2 350.463 2.896 20 30 FFEDLO CC(C)c1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)NC[C@@H]3CCCO3)C2)no1 ZINC000328882445 511945161 /nfs/dbraw/zinc/94/51/61/511945161.db2.gz MUKPAYQTKOBZLK-KFWWJZLASA-N 1 2 350.463 2.896 20 30 FFEDLO Cc1nc([C@H]2CCCOC2)sc1C(=O)NCC[NH+]1CCSCC1 ZINC000328887180 511946800 /nfs/dbraw/zinc/94/68/00/511946800.db2.gz OKZXWZWESMMMHT-ZDUSSCGKSA-N 1 2 355.529 2.699 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000281753913 511954467 /nfs/dbraw/zinc/95/44/67/511954467.db2.gz IDGDWASQWRCTBI-SZMVWBNQSA-N 1 2 372.444 2.929 20 30 FFEDLO CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000328953351 511956480 /nfs/dbraw/zinc/95/64/80/511956480.db2.gz MJMTUQCRLQPOHV-NVXWUHKLSA-N 1 2 357.458 2.713 20 30 FFEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000328978057 511960172 /nfs/dbraw/zinc/96/01/72/511960172.db2.gz QQPOZXCJLYNQEJ-OWCLPIDISA-N 1 2 362.426 2.519 20 30 FFEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000328978057 511960174 /nfs/dbraw/zinc/96/01/74/511960174.db2.gz QQPOZXCJLYNQEJ-OWCLPIDISA-N 1 2 362.426 2.519 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC[C@@H]21 ZINC000328999620 511964599 /nfs/dbraw/zinc/96/45/99/511964599.db2.gz XEDUBFMODOLPGT-XHSDSOJGSA-N 1 2 361.490 2.639 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC[C@@H]21 ZINC000328999620 511964607 /nfs/dbraw/zinc/96/46/07/511964607.db2.gz XEDUBFMODOLPGT-XHSDSOJGSA-N 1 2 361.490 2.639 20 30 FFEDLO O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000328997636 511965050 /nfs/dbraw/zinc/96/50/50/511965050.db2.gz UUOGOYXHIPSJOS-HZPDHXFCSA-N 1 2 352.438 2.972 20 30 FFEDLO O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000328997631 511965085 /nfs/dbraw/zinc/96/50/85/511965085.db2.gz UUOGOYXHIPSJOS-CVEARBPZSA-N 1 2 352.438 2.972 20 30 FFEDLO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)[C@H]1CCc2n[nH]nc2C1 ZINC000329029522 511969918 /nfs/dbraw/zinc/96/99/18/511969918.db2.gz KWBJRUPAXIWMCK-AVGNSLFASA-N 1 2 363.462 2.540 20 30 FFEDLO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)[C@H]1CCc2n[nH]nc2C1 ZINC000329029522 511969919 /nfs/dbraw/zinc/96/99/19/511969919.db2.gz KWBJRUPAXIWMCK-AVGNSLFASA-N 1 2 363.462 2.540 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)/C=C/c1cccc(C#N)c1)C1CCOCC1 ZINC000285115814 512005440 /nfs/dbraw/zinc/00/54/40/512005440.db2.gz ROUYZIVDCYCFJH-ZMBJWTFHSA-N 1 2 350.422 2.589 20 30 FFEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCCC3=CCCCC3)ccn2)CC1 ZINC000329282899 512020217 /nfs/dbraw/zinc/02/02/17/512020217.db2.gz NDQOJTRBUOFYPH-UHFFFAOYSA-N 1 2 371.485 2.686 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000329283669 512020458 /nfs/dbraw/zinc/02/04/58/512020458.db2.gz OBEWCMBIEHUPPC-IKGGRYGDSA-N 1 2 373.501 2.675 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000329283669 512020462 /nfs/dbraw/zinc/02/04/62/512020462.db2.gz OBEWCMBIEHUPPC-IKGGRYGDSA-N 1 2 373.501 2.675 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)C1(N3CCOCC3)CCC1)C2 ZINC000329323974 512028192 /nfs/dbraw/zinc/02/81/92/512028192.db2.gz HVKAHHGFIRSVKT-OAHLLOKOSA-N 1 2 360.502 2.707 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccnc(Br)c3)C2)nc1 ZINC000293633796 512034373 /nfs/dbraw/zinc/03/43/73/512034373.db2.gz RFZXYDONKRNURP-AWEZNQCLSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccnc(Br)c3)C2)nc1 ZINC000293633796 512034378 /nfs/dbraw/zinc/03/43/78/512034378.db2.gz RFZXYDONKRNURP-AWEZNQCLSA-N 1 2 359.227 2.764 20 30 FFEDLO C[NH+]1CCC(C)(CNC([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329518916 512062398 /nfs/dbraw/zinc/06/23/98/512062398.db2.gz PXJLFKXSCUEYLH-OAHLLOKOSA-N 1 2 361.534 2.731 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000329602614 512074817 /nfs/dbraw/zinc/07/48/17/512074817.db2.gz KYPCACYFVOOMKN-RHSMWYFYSA-N 1 2 360.845 2.908 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000329602614 512074822 /nfs/dbraw/zinc/07/48/22/512074822.db2.gz KYPCACYFVOOMKN-RHSMWYFYSA-N 1 2 360.845 2.908 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000329639174 512080087 /nfs/dbraw/zinc/08/00/87/512080087.db2.gz ZDHFHZXQTLLPLO-RHSMWYFYSA-N 1 2 360.845 2.908 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000329639174 512080093 /nfs/dbraw/zinc/08/00/93/512080093.db2.gz ZDHFHZXQTLLPLO-RHSMWYFYSA-N 1 2 360.845 2.908 20 30 FFEDLO Cc1ccccc1[C@H]1C[C@H](NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000329686313 512086175 /nfs/dbraw/zinc/08/61/75/512086175.db2.gz BJJBYZDSYKYMOX-ZHALLVOQSA-N 1 2 367.497 2.877 20 30 FFEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329695249 512087356 /nfs/dbraw/zinc/08/73/56/512087356.db2.gz XKIKVVPFWIULTR-QZTJIDSGSA-N 1 2 358.486 2.855 20 30 FFEDLO O=C(N[C@@H]1c2ccccc2CC12CCOCC2)N1CCn2cc[nH+]c2C1 ZINC000329725344 512090832 /nfs/dbraw/zinc/09/08/32/512090832.db2.gz GFILNLNWZMDQOF-GOSISDBHSA-N 1 2 352.438 2.707 20 30 FFEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329772520 512095769 /nfs/dbraw/zinc/09/57/69/512095769.db2.gz KREQYZZVGINWNI-RCCFBDPRSA-N 1 2 358.486 2.891 20 30 FFEDLO O=C(CC1CCCCC1)N1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000329778217 512096379 /nfs/dbraw/zinc/09/63/79/512096379.db2.gz KZJLFEVVWXNWCA-UHFFFAOYSA-N 1 2 369.469 2.994 20 30 FFEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@@H]3CCCc4sccc43)CC2)cn1 ZINC000329836562 512102962 /nfs/dbraw/zinc/10/29/62/512102962.db2.gz HWOQRFDZDWSXAR-MRXNPFEDSA-N 1 2 359.499 2.591 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCc4ccccc4O3)CC2)cc1 ZINC000411125989 512479873 /nfs/dbraw/zinc/47/98/73/512479873.db2.gz MZLUKSOTCMOPAS-OAQYLSRUSA-N 1 2 361.445 2.596 20 30 FFEDLO N#Cc1ccc(-n2ccc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)n2)c(F)c1 ZINC000371699687 512533646 /nfs/dbraw/zinc/53/36/46/512533646.db2.gz JCSJEOYPYAHMFE-UHFFFAOYSA-N 1 2 372.363 2.743 20 30 FFEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000367543038 512550564 /nfs/dbraw/zinc/55/05/64/512550564.db2.gz WULAGFUYAIPZHH-LJQANCHMSA-N 1 2 353.470 2.950 20 30 FFEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000367543038 512550570 /nfs/dbraw/zinc/55/05/70/512550570.db2.gz WULAGFUYAIPZHH-LJQANCHMSA-N 1 2 353.470 2.950 20 30 FFEDLO Cc1nccnc1N1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000374142199 512675741 /nfs/dbraw/zinc/67/57/41/512675741.db2.gz JFDNMOJLVVPWMN-UHFFFAOYSA-N 1 2 372.270 2.741 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCCc2c(cnn2C)C1 ZINC000411856000 512846819 /nfs/dbraw/zinc/84/68/19/512846819.db2.gz QIGIVCKONISIQH-OAHLLOKOSA-N 1 2 358.511 2.833 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCCc2c(cnn2C)C1 ZINC000411856000 512846825 /nfs/dbraw/zinc/84/68/25/512846825.db2.gz QIGIVCKONISIQH-OAHLLOKOSA-N 1 2 358.511 2.833 20 30 FFEDLO N#Cc1ccc2ncc(C[N@H+]3CCCN(C(=O)CC4CCCC4)CC3)n2c1 ZINC000372398642 512853182 /nfs/dbraw/zinc/85/31/82/512853182.db2.gz RNTISXGFRZPBEP-UHFFFAOYSA-N 1 2 365.481 2.821 20 30 FFEDLO N#Cc1ccc2ncc(C[N@@H+]3CCCN(C(=O)CC4CCCC4)CC3)n2c1 ZINC000372398642 512853187 /nfs/dbraw/zinc/85/31/87/512853187.db2.gz RNTISXGFRZPBEP-UHFFFAOYSA-N 1 2 365.481 2.821 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374524545 512872397 /nfs/dbraw/zinc/87/23/97/512872397.db2.gz ZITSRXSNAVRVCH-RBBKRZOGSA-N 1 2 364.445 2.798 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374524545 512872401 /nfs/dbraw/zinc/87/24/01/512872401.db2.gz ZITSRXSNAVRVCH-RBBKRZOGSA-N 1 2 364.445 2.798 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2csnn2)cc1 ZINC000412026065 512916931 /nfs/dbraw/zinc/91/69/31/512916931.db2.gz KTHOBQOOTPTFEF-ZDUSSCGKSA-N 1 2 359.455 2.534 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1csnn1 ZINC000412034845 512921736 /nfs/dbraw/zinc/92/17/36/512921736.db2.gz GTKINVSJOCTLPP-CHWSQXEVSA-N 1 2 359.455 2.533 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000412133020 512972776 /nfs/dbraw/zinc/97/27/76/512972776.db2.gz QTDCDRIDUAPUBV-ZWKOTPCHSA-N 1 2 361.873 2.518 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)o1 ZINC000374814386 513016646 /nfs/dbraw/zinc/01/66/46/513016646.db2.gz AJSQAMCAEZYSHF-GOSISDBHSA-N 1 2 371.462 2.508 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)o1 ZINC000374814386 513016648 /nfs/dbraw/zinc/01/66/48/513016648.db2.gz AJSQAMCAEZYSHF-GOSISDBHSA-N 1 2 371.462 2.508 20 30 FFEDLO CC(C)(CCC#N)CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000370668363 513043024 /nfs/dbraw/zinc/04/30/24/513043024.db2.gz VPPVGPNFDJIQOL-SFHVURJKSA-N 1 2 358.486 2.517 20 30 FFEDLO CC(C)(CCC#N)CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000370668363 513043031 /nfs/dbraw/zinc/04/30/31/513043031.db2.gz VPPVGPNFDJIQOL-SFHVURJKSA-N 1 2 358.486 2.517 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1cccc(Br)c1 ZINC000376935912 513056929 /nfs/dbraw/zinc/05/69/29/513056929.db2.gz AEWNCTLLWHBHFV-OCCSQVGLSA-N 1 2 359.227 2.589 20 30 FFEDLO C=CCN1CC(=O)N([C@@H]2CC[N@@H+](CC)[C@H]2c2cc(F)c(F)c(F)c2)C1=O ZINC000372967015 513117450 /nfs/dbraw/zinc/11/74/50/513117450.db2.gz SPXOMRQOVGDXRF-PBHICJAKSA-N 1 2 367.371 2.689 20 30 FFEDLO C=CCN1CC(=O)N([C@@H]2CC[N@H+](CC)[C@H]2c2cc(F)c(F)c(F)c2)C1=O ZINC000372967015 513117452 /nfs/dbraw/zinc/11/74/52/513117452.db2.gz SPXOMRQOVGDXRF-PBHICJAKSA-N 1 2 367.371 2.689 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000450327417 513144986 /nfs/dbraw/zinc/14/49/86/513144986.db2.gz BUFDLZZHXLTFTE-XLIONFOSSA-N 1 2 351.450 2.602 20 30 FFEDLO C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)[C@H](c2ccccc2)C1 ZINC000440054557 513237018 /nfs/dbraw/zinc/23/70/18/513237018.db2.gz PNMWMAYUZPEQFL-IBGZPJMESA-N 1 2 373.453 2.516 20 30 FFEDLO C[N@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)[C@H](c2ccccc2)C1 ZINC000440054557 513237022 /nfs/dbraw/zinc/23/70/22/513237022.db2.gz PNMWMAYUZPEQFL-IBGZPJMESA-N 1 2 373.453 2.516 20 30 FFEDLO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCc3cc(C)[nH+]c(C)c3)C2)n1 ZINC000421577491 513315621 /nfs/dbraw/zinc/31/56/21/513315621.db2.gz PDTMQGLJNCBRNC-IBGZPJMESA-N 1 2 363.465 2.806 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3ncc4c(c3C#N)CCC4)CC2)cc1F ZINC000425200523 513448508 /nfs/dbraw/zinc/44/85/08/513448508.db2.gz LHGRQCSHMKHGRC-UHFFFAOYSA-N 1 2 366.440 2.912 20 30 FFEDLO Cc1cc(N2CC[NH+](Cc3cccc(O)c3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413116058 513457772 /nfs/dbraw/zinc/45/77/72/513457772.db2.gz VJBJPNWSKIISCC-UHFFFAOYSA-N 1 2 352.394 2.803 20 30 FFEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)no1 ZINC000425253393 513476868 /nfs/dbraw/zinc/47/68/68/513476868.db2.gz JITFYPZRRNMXBD-OAHLLOKOSA-N 1 2 370.413 2.649 20 30 FFEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)no1 ZINC000425253393 513476876 /nfs/dbraw/zinc/47/68/76/513476876.db2.gz JITFYPZRRNMXBD-OAHLLOKOSA-N 1 2 370.413 2.649 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000425262033 513480850 /nfs/dbraw/zinc/48/08/50/513480850.db2.gz QSQVURDSIWLMTL-MOPGFXCFSA-N 1 2 364.405 2.556 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000425262033 513480854 /nfs/dbraw/zinc/48/08/54/513480854.db2.gz QSQVURDSIWLMTL-MOPGFXCFSA-N 1 2 364.405 2.556 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1C#N ZINC000447875001 513612519 /nfs/dbraw/zinc/61/25/19/513612519.db2.gz NXQVAZLGZGOEBU-GOSISDBHSA-N 1 2 366.465 2.607 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@@H](O)C(C)(C)C2)c1C#N ZINC000447875001 513612526 /nfs/dbraw/zinc/61/25/26/513612526.db2.gz NXQVAZLGZGOEBU-GOSISDBHSA-N 1 2 366.465 2.607 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430321294 513621466 /nfs/dbraw/zinc/62/14/66/513621466.db2.gz LIYDIIWZOZMAGO-SFHVURJKSA-N 1 2 365.481 2.529 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430321294 513621475 /nfs/dbraw/zinc/62/14/75/513621475.db2.gz LIYDIIWZOZMAGO-SFHVURJKSA-N 1 2 365.481 2.529 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(NC[C@H]2CCO[C@H]2C(=C)C)[nH+]cn1 ZINC000435602400 513633240 /nfs/dbraw/zinc/63/32/40/513633240.db2.gz CKYFXEKDDCGDNO-YKCBXCCJSA-N 1 2 358.486 2.685 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000425651141 513680512 /nfs/dbraw/zinc/68/05/12/513680512.db2.gz MHWCMXQHMJXISY-RDJZCZTQSA-N 1 2 356.426 2.675 20 30 FFEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@@H]1C ZINC000451358672 513701647 /nfs/dbraw/zinc/70/16/47/513701647.db2.gz JMCPVBLGWXOCNT-STQMWFEESA-N 1 2 355.891 2.509 20 30 FFEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@@H]1C ZINC000451358672 513701652 /nfs/dbraw/zinc/70/16/52/513701652.db2.gz JMCPVBLGWXOCNT-STQMWFEESA-N 1 2 355.891 2.509 20 30 FFEDLO C[C@@H](C#N)S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000416383871 513744299 /nfs/dbraw/zinc/74/42/99/513744299.db2.gz CXXZBLPNEXFGRN-BBRMVZONSA-N 1 2 355.891 2.526 20 30 FFEDLO C[C@@H](C#N)S(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000416383871 513744303 /nfs/dbraw/zinc/74/43/03/513744303.db2.gz CXXZBLPNEXFGRN-BBRMVZONSA-N 1 2 355.891 2.526 20 30 FFEDLO CCC[N@H+]([C@H](C)C(=O)OCC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000448511368 513770628 /nfs/dbraw/zinc/77/06/28/513770628.db2.gz TWLPMKXRGXZNCX-QAPCUYQASA-N 1 2 357.454 2.717 20 30 FFEDLO CCC[N@@H+]([C@H](C)C(=O)OCC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000448511368 513770636 /nfs/dbraw/zinc/77/06/36/513770636.db2.gz TWLPMKXRGXZNCX-QAPCUYQASA-N 1 2 357.454 2.717 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000430914333 513780183 /nfs/dbraw/zinc/78/01/83/513780183.db2.gz JJIFONQFTMVCEF-LEWJYISDSA-N 1 2 363.461 2.808 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000430914333 513780190 /nfs/dbraw/zinc/78/01/90/513780190.db2.gz JJIFONQFTMVCEF-LEWJYISDSA-N 1 2 363.461 2.808 20 30 FFEDLO COC1(C(F)(F)F)CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000419348774 513785249 /nfs/dbraw/zinc/78/52/49/513785249.db2.gz LPQHXZMVXHDLRQ-OAHLLOKOSA-N 1 2 367.371 2.707 20 30 FFEDLO C[C@@H](C(=O)N[C@@H](C#N)c1ccc(Br)cc1)[NH+]1CCSCC1 ZINC000442902281 513808617 /nfs/dbraw/zinc/80/86/17/513808617.db2.gz QDDFJEMRMPMTDL-FZMZJTMJSA-N 1 2 368.300 2.567 20 30 FFEDLO N#Cc1c(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cn2ccccc12 ZINC000436250842 513808765 /nfs/dbraw/zinc/80/87/65/513808765.db2.gz GXMWHMNEVJXNTN-PKTZIBPZSA-N 1 2 372.472 2.896 20 30 FFEDLO N#Cc1c(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cn2ccccc12 ZINC000436250842 513808772 /nfs/dbraw/zinc/80/87/72/513808772.db2.gz GXMWHMNEVJXNTN-PKTZIBPZSA-N 1 2 372.472 2.896 20 30 FFEDLO N#Cc1c(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)cn2ccccc12 ZINC000436250842 513808780 /nfs/dbraw/zinc/80/87/80/513808780.db2.gz GXMWHMNEVJXNTN-PKTZIBPZSA-N 1 2 372.472 2.896 20 30 FFEDLO N#Cc1c(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)cn2ccccc12 ZINC000436250842 513808785 /nfs/dbraw/zinc/80/87/85/513808785.db2.gz GXMWHMNEVJXNTN-PKTZIBPZSA-N 1 2 372.472 2.896 20 30 FFEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422589504 513859713 /nfs/dbraw/zinc/85/97/13/513859713.db2.gz MXQSVLWTGQDSGU-UHFFFAOYSA-N 1 2 351.450 2.920 20 30 FFEDLO N#Cc1cccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1Br ZINC000448838901 513922801 /nfs/dbraw/zinc/92/28/01/513922801.db2.gz YLTZYMIPPZZNNY-UHFFFAOYSA-N 1 2 359.227 2.995 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000426634517 514000939 /nfs/dbraw/zinc/00/09/39/514000939.db2.gz MZZOGMZILDZYKD-KRWDZBQOSA-N 1 2 362.424 2.963 20 30 FFEDLO C=CCOc1ccc(Br)cc1N[C@@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423170015 514068392 /nfs/dbraw/zinc/06/83/92/514068392.db2.gz LAKLTWBXWMIBSU-IUODEOHRSA-N 1 2 369.259 2.719 20 30 FFEDLO CN(C)C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000452012305 514135292 /nfs/dbraw/zinc/13/52/92/514135292.db2.gz LVPKTCNLCBSOFN-HNNXBMFYSA-N 1 2 369.387 2.672 20 30 FFEDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000452012305 514135299 /nfs/dbraw/zinc/13/52/99/514135299.db2.gz LVPKTCNLCBSOFN-HNNXBMFYSA-N 1 2 369.387 2.672 20 30 FFEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ncc(C#N)cc1Cl ZINC000432339468 514164750 /nfs/dbraw/zinc/16/47/50/514164750.db2.gz IQQOZEUKNMZYMV-UHFFFAOYSA-N 1 2 370.840 3.000 20 30 FFEDLO COc1cc[nH+]c(CN2CCN(c3ccc(C#N)cc3Cl)CC2)c1OC ZINC000444764069 514319955 /nfs/dbraw/zinc/31/99/55/514319955.db2.gz APQMXNGVLWKKKR-UHFFFAOYSA-N 1 2 372.856 2.946 20 30 FFEDLO CC(C)N(C(=O)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1)C(C)C ZINC000444770663 514324528 /nfs/dbraw/zinc/32/45/28/514324528.db2.gz FIKGSWKKGOGZGH-UHFFFAOYSA-N 1 2 362.905 2.979 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000420944600 514393111 /nfs/dbraw/zinc/39/31/11/514393111.db2.gz JMJPPPJWAOHKOL-CQSZACIVSA-N 1 2 360.401 2.996 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000420944600 514393116 /nfs/dbraw/zinc/39/31/16/514393116.db2.gz JMJPPPJWAOHKOL-CQSZACIVSA-N 1 2 360.401 2.996 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@](C)(c1noc(C)n1)C1CC1 ZINC000433298160 514450548 /nfs/dbraw/zinc/45/05/48/514450548.db2.gz NOSKQMJRKFRKJH-FXAWDEMLSA-N 1 2 357.454 2.761 20 30 FFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000455443705 514526580 /nfs/dbraw/zinc/52/65/80/514526580.db2.gz DVPUURRVZCXINH-INIZCTEOSA-N 1 2 366.469 2.758 20 30 FFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000455468189 514541725 /nfs/dbraw/zinc/54/17/25/514541725.db2.gz NJBXWDVWBKIWGS-WMLDXEAASA-N 1 2 353.426 2.619 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2cc(OC)ccc2F)CC1 ZINC000484304237 514625122 /nfs/dbraw/zinc/62/51/22/514625122.db2.gz DVUOOIJQUXZZOU-INIZCTEOSA-N 1 2 361.461 2.545 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c[nH]1 ZINC000475354228 514632155 /nfs/dbraw/zinc/63/21/55/514632155.db2.gz SAHOYCVNSLRPET-SFHVURJKSA-N 1 2 372.856 2.837 20 30 FFEDLO CC1(C)C[N@H+](CCNC(=O)Nc2ccc(CC#N)cc2Cl)CCO1 ZINC000455697260 514688154 /nfs/dbraw/zinc/68/81/54/514688154.db2.gz DLQPROBNLFKGLS-UHFFFAOYSA-N 1 2 350.850 2.638 20 30 FFEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2ccc(CC#N)cc2Cl)CCO1 ZINC000455697260 514688168 /nfs/dbraw/zinc/68/81/68/514688168.db2.gz DLQPROBNLFKGLS-UHFFFAOYSA-N 1 2 350.850 2.638 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000470950452 514688469 /nfs/dbraw/zinc/68/84/69/514688469.db2.gz YCQNWSWJDOVSEJ-LJQANCHMSA-N 1 2 355.401 2.743 20 30 FFEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000471027111 514725506 /nfs/dbraw/zinc/72/55/06/514725506.db2.gz DERKEGMLOWURKI-LSDHHAIUSA-N 1 2 361.795 2.836 20 30 FFEDLO C=CC[N@@H+](Cc1ncnn1CC(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000489226182 514759881 /nfs/dbraw/zinc/75/98/81/514759881.db2.gz PYRXXHZRINDYOO-INIZCTEOSA-N 1 2 366.473 2.659 20 30 FFEDLO C=CC[N@H+](Cc1ncnn1CC(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000489226182 514759892 /nfs/dbraw/zinc/75/98/92/514759892.db2.gz PYRXXHZRINDYOO-INIZCTEOSA-N 1 2 366.473 2.659 20 30 FFEDLO C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000471156741 514774750 /nfs/dbraw/zinc/77/47/50/514774750.db2.gz MDRDURTXRAKUDU-APDGNVHQSA-N 1 2 368.525 2.952 20 30 FFEDLO C=CCn1c(-c2ccoc2)nnc1N1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000508475231 514791223 /nfs/dbraw/zinc/79/12/23/514791223.db2.gz YALFLANYTQJJEH-UHFFFAOYSA-N 1 2 368.441 2.651 20 30 FFEDLO C=CC[N@@H+](Cc1nnc(C)n1CCC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000489322630 514798341 /nfs/dbraw/zinc/79/83/41/514798341.db2.gz DHUQORXFCJXCRF-HNNXBMFYSA-N 1 2 366.473 2.721 20 30 FFEDLO C=CC[N@H+](Cc1nnc(C)n1CCC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000489322630 514798349 /nfs/dbraw/zinc/79/83/49/514798349.db2.gz DHUQORXFCJXCRF-HNNXBMFYSA-N 1 2 366.473 2.721 20 30 FFEDLO CC(C)CCc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)nc1 ZINC000455955751 514864345 /nfs/dbraw/zinc/86/43/45/514864345.db2.gz GTDOCBKAGOUDKB-UHFFFAOYSA-N 1 2 373.501 2.750 20 30 FFEDLO CCN1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000476017978 514884574 /nfs/dbraw/zinc/88/45/74/514884574.db2.gz AUKPFSPNBCLQNQ-QZTJIDSGSA-N 1 2 351.454 2.702 20 30 FFEDLO Cc1[nH]c2ccc(NC(=O)[C@H]3CCC(=O)N3Cc3cccc(C#N)c3)cc2[nH+]1 ZINC000476034311 514890602 /nfs/dbraw/zinc/89/06/02/514890602.db2.gz OZJXCUIBUWRCBR-LJQANCHMSA-N 1 2 373.416 2.873 20 30 FFEDLO C=CCC[C@@H](CO)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000458585221 514925212 /nfs/dbraw/zinc/92/52/12/514925212.db2.gz VEBCVEBIZACLRK-HKUYNNGSSA-N 1 2 356.470 2.868 20 30 FFEDLO C=CCCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000489685886 514938451 /nfs/dbraw/zinc/93/84/51/514938451.db2.gz BFXNDACWTIHBSF-IRXDYDNUSA-N 1 2 372.918 2.597 20 30 FFEDLO C=CCCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000489685886 514938460 /nfs/dbraw/zinc/93/84/60/514938460.db2.gz BFXNDACWTIHBSF-IRXDYDNUSA-N 1 2 372.918 2.597 20 30 FFEDLO CN(C)[C@H](C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)c1c[nH+]cn1C ZINC000456098547 514948191 /nfs/dbraw/zinc/94/81/91/514948191.db2.gz AKKXSANVPYTHAM-KRWDZBQOSA-N 1 2 355.442 2.710 20 30 FFEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000467304288 514973465 /nfs/dbraw/zinc/97/34/65/514973465.db2.gz KVMGNBWFXBKXQW-INWMFGNUSA-N 1 2 350.365 2.933 20 30 FFEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000467304288 514973474 /nfs/dbraw/zinc/97/34/74/514973474.db2.gz KVMGNBWFXBKXQW-INWMFGNUSA-N 1 2 350.365 2.933 20 30 FFEDLO CC#CCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000462317220 514990354 /nfs/dbraw/zinc/99/03/54/514990354.db2.gz QCMLJKJUHCQHPL-UHFFFAOYSA-N 1 2 361.294 2.713 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](C/C=C\c3ccc(F)cc3F)CC2)c1C#N ZINC000471821254 515022110 /nfs/dbraw/zinc/02/21/10/515022110.db2.gz QATJRFRTOXDSLD-ARJAWSKDSA-N 1 2 357.408 2.714 20 30 FFEDLO C[C@H](c1ccsc1)[NH+]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000462461073 515062676 /nfs/dbraw/zinc/06/26/76/515062676.db2.gz AORQZAWKHXJCQE-KDOFPFPSSA-N 1 2 354.479 2.525 20 30 FFEDLO CCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490075728 515091602 /nfs/dbraw/zinc/09/16/02/515091602.db2.gz ZAECHAROWSVQJY-IIBYNOLFSA-N 1 2 370.497 2.843 20 30 FFEDLO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490075728 515091605 /nfs/dbraw/zinc/09/16/05/515091605.db2.gz ZAECHAROWSVQJY-IIBYNOLFSA-N 1 2 370.497 2.843 20 30 FFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)CCCOc1ccc(C#N)cc1OC ZINC000456367780 515133653 /nfs/dbraw/zinc/13/36/53/515133653.db2.gz CDOWDBSAWVPPSP-AWEZNQCLSA-N 1 2 356.426 2.820 20 30 FFEDLO Cc1cc(C)c(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)c[nH+]1 ZINC000454023965 515140791 /nfs/dbraw/zinc/14/07/91/515140791.db2.gz GJNLBYDWRVJVAY-UHFFFAOYSA-N 1 2 366.421 2.612 20 30 FFEDLO CC(C)c1ccc(OCCC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000499352955 515298006 /nfs/dbraw/zinc/29/80/06/515298006.db2.gz SXZDNTRNRYZTNV-UHFFFAOYSA-N 1 2 373.497 2.653 20 30 FFEDLO N#Cc1cccc(NCC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)c1 ZINC000472589359 515327049 /nfs/dbraw/zinc/32/70/49/515327049.db2.gz NHDKUUWUDCLMCW-RDJZCZTQSA-N 1 2 372.469 2.760 20 30 FFEDLO N#Cc1cccc(NCC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)c1 ZINC000472589359 515327055 /nfs/dbraw/zinc/32/70/55/515327055.db2.gz NHDKUUWUDCLMCW-RDJZCZTQSA-N 1 2 372.469 2.760 20 30 FFEDLO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCc3c[nH+]c(C)cc3C)C2)n1 ZINC000456828357 515445975 /nfs/dbraw/zinc/44/59/75/515445975.db2.gz BPRGUYTYSZPEBC-SFHVURJKSA-N 1 2 363.465 2.806 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2c3ccccc3sc2C(=O)OC)C1=O ZINC000499986556 515548188 /nfs/dbraw/zinc/54/81/88/515548188.db2.gz CQXLCJKJWYCNHV-OAHLLOKOSA-N 1 2 358.463 2.907 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2c3ccccc3sc2C(=O)OC)C1=O ZINC000499986556 515548197 /nfs/dbraw/zinc/54/81/97/515548197.db2.gz CQXLCJKJWYCNHV-OAHLLOKOSA-N 1 2 358.463 2.907 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cncc(OCc3ccccc3)c2)C1=O ZINC000499995651 515551640 /nfs/dbraw/zinc/55/16/40/515551640.db2.gz KKTJVJGYDGHILU-HXUWFJFHSA-N 1 2 351.450 2.879 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cncc(OCc3ccccc3)c2)C1=O ZINC000499995651 515551651 /nfs/dbraw/zinc/55/16/51/515551651.db2.gz KKTJVJGYDGHILU-HXUWFJFHSA-N 1 2 351.450 2.879 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1cc2ccccc2o1 ZINC000482048103 515558740 /nfs/dbraw/zinc/55/87/40/515558740.db2.gz NJFYOAGJTAXLCT-MRXNPFEDSA-N 1 2 355.438 2.611 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000482057709 515560517 /nfs/dbraw/zinc/56/05/17/515560517.db2.gz XPPSTRZGOMSBLI-UHFFFAOYSA-N 1 2 358.482 2.987 20 30 FFEDLO C[C@H](C(=O)N(CC[NH+]1CCOCC1)Cc1ccco1)c1cccc(C#N)c1 ZINC000457000497 515576626 /nfs/dbraw/zinc/57/66/26/515576626.db2.gz UUDAQUYWMIKOPO-KRWDZBQOSA-N 1 2 367.449 2.616 20 30 FFEDLO C=CCCCCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000486691925 515597669 /nfs/dbraw/zinc/59/76/69/515597669.db2.gz VOPIQQZONMSAEY-UHFFFAOYSA-N 1 2 367.471 2.648 20 30 FFEDLO Cc1ccc(-n2c[nH+]c3c2CCN(c2ncc([N+](=O)[O-])cc2C#N)C3)cc1 ZINC000486794026 515637753 /nfs/dbraw/zinc/63/77/53/515637753.db2.gz YVGFGXHDIARLEP-UHFFFAOYSA-N 1 2 360.377 2.918 20 30 FFEDLO Cc1cc(C[NH+]2CCN(CC(=O)N3CCc4ccccc43)CC2)ccc1C#N ZINC000486810048 515643606 /nfs/dbraw/zinc/64/36/06/515643606.db2.gz PYBTVMXBGCVQQJ-UHFFFAOYSA-N 1 2 374.488 2.574 20 30 FFEDLO C=C(C)CN(CC)c1nc(N(CC)CC(=C)C)[nH+]c(N2CCOCC2)n1 ZINC000500253607 515644386 /nfs/dbraw/zinc/64/43/86/515644386.db2.gz NMTQEWXHDOMARS-UHFFFAOYSA-N 1 2 360.506 2.513 20 30 FFEDLO C=C(C)CN(CC)c1nc(N2CCOCC2)nc(N(CC)CC(=C)C)[nH+]1 ZINC000500253607 515644393 /nfs/dbraw/zinc/64/43/93/515644393.db2.gz NMTQEWXHDOMARS-UHFFFAOYSA-N 1 2 360.506 2.513 20 30 FFEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@H+](CC)C[C@H](C)C#N ZINC000506060110 515765673 /nfs/dbraw/zinc/76/56/73/515765673.db2.gz DTPFUEYVFNQOLA-HZPDHXFCSA-N 1 2 358.486 2.516 20 30 FFEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@@H+](CC)C[C@H](C)C#N ZINC000506060110 515765681 /nfs/dbraw/zinc/76/56/81/515765681.db2.gz DTPFUEYVFNQOLA-HZPDHXFCSA-N 1 2 358.486 2.516 20 30 FFEDLO C=CCOc1cc(OC)ccc1C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000500682550 515814470 /nfs/dbraw/zinc/81/44/70/515814470.db2.gz MJNCHCJSAXVJOE-UHFFFAOYSA-N 1 2 367.449 2.926 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459803992 515818111 /nfs/dbraw/zinc/81/81/11/515818111.db2.gz ZUGQGCQGDMQNAQ-KBPBESRZSA-N 1 2 357.483 2.961 20 30 FFEDLO CCn1cc(C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO)cn1 ZINC000482870492 515831847 /nfs/dbraw/zinc/83/18/47/515831847.db2.gz XBQLUHCIFUZNHA-UHFFFAOYSA-N 1 2 351.372 2.768 20 30 FFEDLO CCn1cc(C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO)cn1 ZINC000482870492 515831858 /nfs/dbraw/zinc/83/18/58/515831858.db2.gz XBQLUHCIFUZNHA-UHFFFAOYSA-N 1 2 351.372 2.768 20 30 FFEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)NCC(C)(C)C#N)c2ccc(Cl)cc2)C1 ZINC000501112909 515986451 /nfs/dbraw/zinc/98/64/51/515986451.db2.gz VBJKIAVVEQIJEV-CVEARBPZSA-N 1 2 364.877 2.561 20 30 FFEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)NCC(C)(C)C#N)c2ccc(Cl)cc2)C1 ZINC000501112909 515986459 /nfs/dbraw/zinc/98/64/59/515986459.db2.gz VBJKIAVVEQIJEV-CVEARBPZSA-N 1 2 364.877 2.561 20 30 FFEDLO C=CCC[C@@H](C(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1)c1ccccc1 ZINC000494899686 516002083 /nfs/dbraw/zinc/00/20/83/516002083.db2.gz DAVVDYTYAGNCIR-HXUWFJFHSA-N 1 2 371.525 2.749 20 30 FFEDLO N#Cc1cscc1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000478959451 516019698 /nfs/dbraw/zinc/01/96/98/516019698.db2.gz WZUNRNLFSXGPLY-UHFFFAOYSA-N 1 2 374.897 2.825 20 30 FFEDLO N#CC1CC[NH+]([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000487989575 516067715 /nfs/dbraw/zinc/06/77/15/516067715.db2.gz DTXDIKBIIIGMKM-AWEZNQCLSA-N 1 2 351.328 2.573 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)ncc1C#N ZINC000457694836 516075316 /nfs/dbraw/zinc/07/53/16/516075316.db2.gz RYRXJEJCXHQPNT-AEFFLSMTSA-N 1 2 356.376 2.715 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)ncc1C#N ZINC000457694836 516075325 /nfs/dbraw/zinc/07/53/25/516075325.db2.gz RYRXJEJCXHQPNT-AEFFLSMTSA-N 1 2 356.376 2.715 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)NCc1ccc(C)c(F)c1)Cc1ccc(CO)o1 ZINC000512168427 516182252 /nfs/dbraw/zinc/18/22/52/516182252.db2.gz ZEXWSNCISFCLMG-UHFFFAOYSA-N 1 2 360.429 2.914 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)NCc1ccc(C)c(F)c1)Cc1ccc(CO)o1 ZINC000512168427 516182266 /nfs/dbraw/zinc/18/22/66/516182266.db2.gz ZEXWSNCISFCLMG-UHFFFAOYSA-N 1 2 360.429 2.914 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)N1CCC(c2ccccc2)=N1)Cc1ccc(CO)o1 ZINC000512200252 516194177 /nfs/dbraw/zinc/19/41/77/516194177.db2.gz YVWDTUZNIITTEQ-UHFFFAOYSA-N 1 2 367.449 2.787 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)N1CCC(c2ccccc2)=N1)Cc1ccc(CO)o1 ZINC000512200252 516194188 /nfs/dbraw/zinc/19/41/88/516194188.db2.gz YVWDTUZNIITTEQ-UHFFFAOYSA-N 1 2 367.449 2.787 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(CO)o1 ZINC000512214437 516200173 /nfs/dbraw/zinc/20/01/73/516200173.db2.gz VZUGMSIALNJIHQ-UHFFFAOYSA-N 1 2 358.394 2.517 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(CO)o1 ZINC000512214437 516200178 /nfs/dbraw/zinc/20/01/78/516200178.db2.gz VZUGMSIALNJIHQ-UHFFFAOYSA-N 1 2 358.394 2.517 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000507446841 516213838 /nfs/dbraw/zinc/21/38/38/516213838.db2.gz FSPZZVXXOZNIRE-QGZVFWFLSA-N 1 2 352.438 2.745 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000488403405 516216843 /nfs/dbraw/zinc/21/68/43/516216843.db2.gz CYZIEAVNQQSIDA-UHFFFAOYSA-N 1 2 369.465 2.649 20 30 FFEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000507746149 516292777 /nfs/dbraw/zinc/29/27/77/516292777.db2.gz CWBGXSDFCSOOIF-MRXNPFEDSA-N 1 2 363.452 2.844 20 30 FFEDLO N#CCCCN1C(=O)CCc2cc(NC(=O)CCc3[nH]cc[nH+]3)ccc21 ZINC000507853955 516313619 /nfs/dbraw/zinc/31/36/19/516313619.db2.gz XOFDSQRGIIBCHL-UHFFFAOYSA-N 1 2 351.410 2.564 20 30 FFEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCN(C4CCCCC4)C3=O)CC2)c(F)c1 ZINC000528367714 516383120 /nfs/dbraw/zinc/38/31/20/516383120.db2.gz YBDOPBVUAYRZFN-FQEVSTJZSA-N 1 2 370.472 2.753 20 30 FFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc(C#N)cc1Br ZINC000557696799 516390285 /nfs/dbraw/zinc/39/02/85/516390285.db2.gz JGAVRQJWTHHESO-TZMCWYRMSA-N 1 2 350.260 2.620 20 30 FFEDLO N#Cc1ccncc1C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000513057797 516456901 /nfs/dbraw/zinc/45/69/01/516456901.db2.gz NABKMTRXRHHODO-CQSZACIVSA-N 1 2 356.376 2.626 20 30 FFEDLO N#Cc1ccncc1C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000513057797 516456908 /nfs/dbraw/zinc/45/69/08/516456908.db2.gz NABKMTRXRHHODO-CQSZACIVSA-N 1 2 356.376 2.626 20 30 FFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000517909913 516490501 /nfs/dbraw/zinc/49/05/01/516490501.db2.gz RAZIUHXFGFUPSU-ROUUACIJSA-N 1 2 372.513 2.835 20 30 FFEDLO C=CCCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000558024340 516557209 /nfs/dbraw/zinc/55/72/09/516557209.db2.gz XTYDBOORFWNGII-DLBZAZTESA-N 1 2 363.889 2.626 20 30 FFEDLO C=CCCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000558024340 516557217 /nfs/dbraw/zinc/55/72/17/516557217.db2.gz XTYDBOORFWNGII-DLBZAZTESA-N 1 2 363.889 2.626 20 30 FFEDLO COC(=O)c1cccc(C[NH2+][C@@H](c2ccccc2)[C@@H](C)C(=O)OC)c1C#N ZINC000535963067 516573002 /nfs/dbraw/zinc/57/30/02/516573002.db2.gz IKEUMZNMJPQNQR-AUUYWEPGSA-N 1 2 366.417 2.985 20 30 FFEDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000531650092 516577729 /nfs/dbraw/zinc/57/77/29/516577729.db2.gz LEYSBGCDNHZPPE-VQIMIIECSA-N 1 2 372.488 2.856 20 30 FFEDLO COc1nc(C)cc(C)c1C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000558083257 516585038 /nfs/dbraw/zinc/58/50/38/516585038.db2.gz WLNFTXSKXLCNEB-UHFFFAOYSA-N 1 2 350.466 2.897 20 30 FFEDLO Cc1ccccc1C1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000554739532 516612996 /nfs/dbraw/zinc/61/29/96/516612996.db2.gz ZCYWNRGYPMMRJH-UHFFFAOYSA-N 1 2 369.490 2.915 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCc4nc(C5CC5)ncc4C3)C2=O)cc1 ZINC000528739583 516663410 /nfs/dbraw/zinc/66/34/10/516663410.db2.gz MJJONUGROILRDC-HXUWFJFHSA-N 1 2 373.460 2.779 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCc4nc(C5CC5)ncc4C3)C2=O)cc1 ZINC000528739583 516663422 /nfs/dbraw/zinc/66/34/22/516663422.db2.gz MJJONUGROILRDC-HXUWFJFHSA-N 1 2 373.460 2.779 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(O)(C(F)F)CC1 ZINC000547972824 516666504 /nfs/dbraw/zinc/66/65/04/516666504.db2.gz PJCPFDYIFPENET-SNVBAGLBSA-N 1 2 369.437 2.527 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CCC(C)(C)C#N)c1ccc(F)cc1 ZINC000558432849 516739173 /nfs/dbraw/zinc/73/91/73/516739173.db2.gz KZLULJZULASBAD-OAHLLOKOSA-N 1 2 364.446 2.508 20 30 FFEDLO N#Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(CC(F)(F)F)CC3)C2=O)cc1 ZINC000551592422 516778565 /nfs/dbraw/zinc/77/85/65/516778565.db2.gz PHTWNWDBMAPYLJ-HNNXBMFYSA-N 1 2 365.355 2.855 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)c2cnccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000514088082 516857519 /nfs/dbraw/zinc/85/75/19/516857519.db2.gz JWPKULWWMOPICB-IRXDYDNUSA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)c2cnccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000514088082 516857524 /nfs/dbraw/zinc/85/75/24/516857524.db2.gz JWPKULWWMOPICB-IRXDYDNUSA-N 1 2 358.804 2.921 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CCc1cnccn1 ZINC000536698244 516897712 /nfs/dbraw/zinc/89/77/12/516897712.db2.gz IKAKZDSFDMSORN-OAHLLOKOSA-N 1 2 369.494 2.841 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CCc1cnccn1 ZINC000536698244 516897720 /nfs/dbraw/zinc/89/77/20/516897720.db2.gz IKAKZDSFDMSORN-OAHLLOKOSA-N 1 2 369.494 2.841 20 30 FFEDLO N#C[C@H]1N(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CCC[C@@]12CCCCO2 ZINC000551923583 516960046 /nfs/dbraw/zinc/96/00/46/516960046.db2.gz GDHKVHMUZACXTL-CTNGQTDRSA-N 1 2 364.449 2.999 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c(F)c1 ZINC000548423410 516976253 /nfs/dbraw/zinc/97/62/53/516976253.db2.gz ZJMDRIDUQWSKFM-UHFFFAOYSA-N 1 2 371.387 2.945 20 30 FFEDLO C[C@@](O)(C1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000514676419 516999786 /nfs/dbraw/zinc/99/97/86/516999786.db2.gz VAFKCYZYAXOCJF-OAHLLOKOSA-N 1 2 357.332 2.992 20 30 FFEDLO COCc1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C#N ZINC000529205524 517003189 /nfs/dbraw/zinc/00/31/89/517003189.db2.gz NXBYZTICJILLSK-GOSISDBHSA-N 1 2 352.394 2.785 20 30 FFEDLO COCc1ccc(NC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)cc1C#N ZINC000529211682 517009253 /nfs/dbraw/zinc/00/92/53/517009253.db2.gz HTQALVIOSGKPHD-CQSZACIVSA-N 1 2 353.426 2.909 20 30 FFEDLO C=CC[N@H+](Cc1nnc(C)n1C1CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537046984 517019087 /nfs/dbraw/zinc/01/90/87/517019087.db2.gz YPRHUONVHKKCFQ-AWEZNQCLSA-N 1 2 364.457 2.646 20 30 FFEDLO C=CC[N@@H+](Cc1nnc(C)n1C1CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537046984 517019097 /nfs/dbraw/zinc/01/90/97/517019097.db2.gz YPRHUONVHKKCFQ-AWEZNQCLSA-N 1 2 364.457 2.646 20 30 FFEDLO C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000558981879 517027343 /nfs/dbraw/zinc/02/73/43/517027343.db2.gz QAEUWGHOXADQDT-UHFFFAOYSA-N 1 2 369.513 2.852 20 30 FFEDLO C=CCOc1ccc(/C=C\c2nc([C@@H]3C[N@H+](C)CCN3C)no2)cc1OC ZINC000545090935 517049262 /nfs/dbraw/zinc/04/92/62/517049262.db2.gz ZZNQJCFYTYCWOF-GQSKFBFOSA-N 1 2 370.453 2.732 20 30 FFEDLO C=CCOc1ccc(/C=C\c2nc([C@@H]3C[N@@H+](C)CCN3C)no2)cc1OC ZINC000545090935 517049268 /nfs/dbraw/zinc/04/92/68/517049268.db2.gz ZZNQJCFYTYCWOF-GQSKFBFOSA-N 1 2 370.453 2.732 20 30 FFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2 ZINC000519612381 517079410 /nfs/dbraw/zinc/07/94/10/517079410.db2.gz OFMNZOACUSUGOF-NEPJUHHUSA-N 1 2 363.483 2.880 20 30 FFEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 ZINC000529353969 517097137 /nfs/dbraw/zinc/09/71/37/517097137.db2.gz BYBDOCJSTSVBED-UHFFFAOYSA-N 1 2 368.868 2.802 20 30 FFEDLO C[S@](=O)C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000541611166 517140254 /nfs/dbraw/zinc/14/02/54/517140254.db2.gz OPOVLVRTEJOZMT-QUGAMOGWSA-N 1 2 366.446 2.818 20 30 FFEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000541689675 517174241 /nfs/dbraw/zinc/17/42/41/517174241.db2.gz ITGIZSSZXVOXRA-ZDUSSCGKSA-N 1 2 359.405 2.597 20 30 FFEDLO CC1(C)C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@](C)(C(F)(F)F)O1 ZINC000559320666 517177889 /nfs/dbraw/zinc/17/78/89/517177889.db2.gz LWKCWNAWMJXLIU-YOEHRIQHSA-N 1 2 372.387 2.730 20 30 FFEDLO CC1(C)C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@](C)(C(F)(F)F)O1 ZINC000559320666 517177900 /nfs/dbraw/zinc/17/79/00/517177900.db2.gz LWKCWNAWMJXLIU-YOEHRIQHSA-N 1 2 372.387 2.730 20 30 FFEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000555947294 517199746 /nfs/dbraw/zinc/19/97/46/517199746.db2.gz LWVWGLUYNWNQSM-UHFFFAOYSA-N 1 2 366.240 2.931 20 30 FFEDLO Cc1c(C[N@@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cnn1C ZINC000562611580 517235389 /nfs/dbraw/zinc/23/53/89/517235389.db2.gz BZLGPZCCZYFCGV-GFCCVEGCSA-N 1 2 357.483 2.609 20 30 FFEDLO Cc1c(C[N@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cnn1C ZINC000562611580 517235396 /nfs/dbraw/zinc/23/53/96/517235396.db2.gz BZLGPZCCZYFCGV-GFCCVEGCSA-N 1 2 357.483 2.609 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000520172904 517288781 /nfs/dbraw/zinc/28/87/81/517288781.db2.gz PTRULAMHOCKASR-SFHVURJKSA-N 1 2 369.490 2.917 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000520172904 517288794 /nfs/dbraw/zinc/28/87/94/517288794.db2.gz PTRULAMHOCKASR-SFHVURJKSA-N 1 2 369.490 2.917 20 30 FFEDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c2[nH+]ccn21 ZINC000562731658 517349302 /nfs/dbraw/zinc/34/93/02/517349302.db2.gz XUGGXIPBNKOHGN-NOZJJQNGSA-N 1 2 370.356 2.758 20 30 FFEDLO CC(C)[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1nc(-c2cccnc2)no1 ZINC000556326916 517371499 /nfs/dbraw/zinc/37/14/99/517371499.db2.gz PWXPSDQJKJFZRW-MRXNPFEDSA-N 1 2 374.408 2.533 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3cccc4c3OC(C)(C)C4)CC2)c1C#N ZINC000527066025 517483522 /nfs/dbraw/zinc/48/35/22/517483522.db2.gz UCNOBEMGXMCGFF-UHFFFAOYSA-N 1 2 365.481 2.636 20 30 FFEDLO CSc1nc(C2CC2)cc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1C#N ZINC000533696724 517575534 /nfs/dbraw/zinc/57/55/34/517575534.db2.gz CZYKDXONIVCPFX-ZDUSSCGKSA-N 1 2 367.478 2.916 20 30 FFEDLO C[C@H](C(=O)NCC#Cc1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000521056532 517597501 /nfs/dbraw/zinc/59/75/01/517597501.db2.gz OPPOJWZDSMKJOZ-GOSISDBHSA-N 1 2 365.452 2.504 20 30 FFEDLO COC(=O)c1cccc(CN(C)Cc2[nH+]ccn2CC(F)(F)F)c1C#N ZINC000533758331 517601069 /nfs/dbraw/zinc/60/10/69/517601069.db2.gz DTUNAQUDGBOVAG-UHFFFAOYSA-N 1 2 366.343 2.736 20 30 FFEDLO Cn1c[nH+]c(CCNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000556744087 517623493 /nfs/dbraw/zinc/62/34/93/517623493.db2.gz KIDYMJMZJVRWTJ-UHFFFAOYSA-N 1 2 367.453 2.524 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(C(C)C)nc3C)CC2)c1C#N ZINC000549611551 517638967 /nfs/dbraw/zinc/63/89/67/517638967.db2.gz YAUDJSMIAIVYEK-UHFFFAOYSA-N 1 2 352.486 2.749 20 30 FFEDLO N#CCN1CC[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000556773861 517649715 /nfs/dbraw/zinc/64/97/15/517649715.db2.gz XDDLOIRGCCMVBL-UHFFFAOYSA-N 1 2 350.470 2.701 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCN(c3cnccc3C#N)CC2)c1Cl ZINC000560244969 517654614 /nfs/dbraw/zinc/65/46/14/517654614.db2.gz FXYMOSLVTMVQRH-UHFFFAOYSA-N 1 2 370.840 2.715 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)cc1 ZINC000542632828 517662146 /nfs/dbraw/zinc/66/21/46/517662146.db2.gz XTBOHTCKKPTUBV-NRFANRHFSA-N 1 2 363.461 2.508 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)cc1 ZINC000542632828 517662150 /nfs/dbraw/zinc/66/21/50/517662150.db2.gz XTBOHTCKKPTUBV-NRFANRHFSA-N 1 2 363.461 2.508 20 30 FFEDLO C[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccon1 ZINC000542649154 517668871 /nfs/dbraw/zinc/66/88/71/517668871.db2.gz UZTXVGOOBCRSEI-GFCCVEGCSA-N 1 2 351.328 2.512 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000527482404 517701476 /nfs/dbraw/zinc/70/14/76/517701476.db2.gz DHVAIDICPPLCDC-WBTXTPOCSA-N 1 2 368.525 2.932 20 30 FFEDLO CN(C)c1[nH]c2ccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)cc2[nH+]1 ZINC000549776277 517704577 /nfs/dbraw/zinc/70/45/77/517704577.db2.gz WMJNBRQECFSRST-UHFFFAOYSA-N 1 2 371.404 2.939 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)cc(OC)c1 ZINC000553486952 517741737 /nfs/dbraw/zinc/74/17/37/517741737.db2.gz LZXIYIUFRKKSQY-UHFFFAOYSA-N 1 2 358.467 2.663 20 30 FFEDLO COC(=O)[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000538763770 517769487 /nfs/dbraw/zinc/76/94/87/517769487.db2.gz UPRQBTIQFRJHLT-SFHVURJKSA-N 1 2 373.840 2.837 20 30 FFEDLO CCN1CCN(c2c(C#N)cnc3c(F)cc(F)cc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000530480656 517801637 /nfs/dbraw/zinc/80/16/37/517801637.db2.gz CSJSYUSKJWMEMO-INIZCTEOSA-N 1 2 368.391 2.991 20 30 FFEDLO CCC(C#N)(CC)C(=O)N1CCN(Cc2c(C)[nH+]c3cc(C)ccn32)CC1 ZINC000527695825 517852487 /nfs/dbraw/zinc/85/24/87/517852487.db2.gz PMYNYJXLHRJAHU-UHFFFAOYSA-N 1 2 367.497 2.925 20 30 FFEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000527695825 517852496 /nfs/dbraw/zinc/85/24/96/517852496.db2.gz PMYNYJXLHRJAHU-UHFFFAOYSA-N 1 2 367.497 2.925 20 30 FFEDLO COc1ccc(OC)c(C[NH+]2CCN(c3nccc(C)c3C#N)CC2)c1 ZINC000543137677 517926342 /nfs/dbraw/zinc/92/63/42/517926342.db2.gz DAPAFIYKKOZRAU-UHFFFAOYSA-N 1 2 352.438 2.601 20 30 FFEDLO COc1cc2c(cc1C[NH+]1CCN([C@H](C#N)c3ccccc3)CC1)OCO2 ZINC000546975383 517944298 /nfs/dbraw/zinc/94/42/98/517944298.db2.gz YDMJEOPLPYCKPU-GOSISDBHSA-N 1 2 365.433 2.806 20 30 FFEDLO Cn1nc(C2CC2)nc1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000517028011 517985896 /nfs/dbraw/zinc/98/58/96/517985896.db2.gz ZTCINFXNWFADTG-UHFFFAOYSA-N 1 2 355.417 2.747 20 30 FFEDLO C=CCC[C@@H]([NH2+]Cc1nc(N)nc(N)n1)c1ccc(C(F)(F)F)cc1 ZINC000539330952 517997183 /nfs/dbraw/zinc/99/71/83/517997183.db2.gz KCJLWIFDQNRMNE-GFCCVEGCSA-N 1 2 352.364 2.513 20 30 FFEDLO N#Cc1cccc(CCNC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000517254081 518092818 /nfs/dbraw/zinc/09/28/18/518092818.db2.gz XXFWTOHXEKRGEO-UHFFFAOYSA-N 1 2 359.433 2.845 20 30 FFEDLO CC(C)(C#N)CC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000539565527 518103017 /nfs/dbraw/zinc/10/30/17/518103017.db2.gz DWWKGEOXAFNDQK-UHFFFAOYSA-N 1 2 373.881 2.725 20 30 FFEDLO CC1(C)CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000575988123 518375429 /nfs/dbraw/zinc/37/54/29/518375429.db2.gz NUQAEBQKFDRIQC-UHFFFAOYSA-N 1 2 361.511 2.606 20 30 FFEDLO CC1(C)CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000575988123 518375433 /nfs/dbraw/zinc/37/54/33/518375433.db2.gz NUQAEBQKFDRIQC-UHFFFAOYSA-N 1 2 361.511 2.606 20 30 FFEDLO Cc1cc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(C#N)cn1 ZINC000567162059 518382921 /nfs/dbraw/zinc/38/29/21/518382921.db2.gz HHVGMCVCUBUQAL-OALUTQOASA-N 1 2 356.857 2.821 20 30 FFEDLO Cc1cc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(C#N)cn1 ZINC000567162059 518382927 /nfs/dbraw/zinc/38/29/27/518382927.db2.gz HHVGMCVCUBUQAL-OALUTQOASA-N 1 2 356.857 2.821 20 30 FFEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000572939126 518429191 /nfs/dbraw/zinc/42/91/91/518429191.db2.gz KOPWEJSRLPDCKD-OAQYLSRUSA-N 1 2 361.401 2.607 20 30 FFEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000572939126 518429200 /nfs/dbraw/zinc/42/92/00/518429200.db2.gz KOPWEJSRLPDCKD-OAQYLSRUSA-N 1 2 361.401 2.607 20 30 FFEDLO C=CCCCCCNC(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000581736444 518432051 /nfs/dbraw/zinc/43/20/51/518432051.db2.gz WAEFXHZJMKFBQE-UHFFFAOYSA-N 1 2 372.513 2.788 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000567256958 518434111 /nfs/dbraw/zinc/43/41/11/518434111.db2.gz HOEKXNXJDXQQIB-UHFFFAOYSA-N 1 2 368.462 2.535 20 30 FFEDLO C=C(C)Cn1c(CC(F)(F)F)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000581823739 518454845 /nfs/dbraw/zinc/45/48/45/518454845.db2.gz AOCWWOQJTFOSCC-UHFFFAOYSA-N 1 2 366.391 2.681 20 30 FFEDLO Cc1cc2c(ncnc2N2CC[NH+](Cc3ccc(C#N)cn3)CC2)s1 ZINC000579022694 518485208 /nfs/dbraw/zinc/48/52/08/518485208.db2.gz SIIHPQZCAQDQTD-UHFFFAOYSA-N 1 2 350.451 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000573062460 518486638 /nfs/dbraw/zinc/48/66/38/518486638.db2.gz TZDGCIXURLDAIF-XWIAVFTESA-N 1 2 365.424 2.572 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000573062460 518486642 /nfs/dbraw/zinc/48/66/42/518486642.db2.gz TZDGCIXURLDAIF-XWIAVFTESA-N 1 2 365.424 2.572 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000573123760 518518344 /nfs/dbraw/zinc/51/83/44/518518344.db2.gz NFVPTVMYSOGWKE-OAHLLOKOSA-N 1 2 352.398 2.842 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000573123760 518518350 /nfs/dbraw/zinc/51/83/50/518518350.db2.gz NFVPTVMYSOGWKE-OAHLLOKOSA-N 1 2 352.398 2.842 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000582125138 518600792 /nfs/dbraw/zinc/60/07/92/518600792.db2.gz HWZADBVKBCYPPF-OAHLLOKOSA-N 1 2 351.410 2.740 20 30 FFEDLO Cn1cc(C[N@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000576759079 518750723 /nfs/dbraw/zinc/75/07/23/518750723.db2.gz RGIJNFMRQYMAIX-UHFFFAOYSA-N 1 2 353.304 2.851 20 30 FFEDLO Cn1cc(C[N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000576759079 518750731 /nfs/dbraw/zinc/75/07/31/518750731.db2.gz RGIJNFMRQYMAIX-UHFFFAOYSA-N 1 2 353.304 2.851 20 30 FFEDLO C[C@H](C(=O)NCC(C)(C)CCC#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000582566357 518814984 /nfs/dbraw/zinc/81/49/84/518814984.db2.gz KSFNTNKVXAOLQT-MRXNPFEDSA-N 1 2 360.477 2.782 20 30 FFEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000582608338 518836787 /nfs/dbraw/zinc/83/67/87/518836787.db2.gz FVPRUBYJLCCQLY-ZIAGYGMSSA-N 1 2 358.442 2.934 20 30 FFEDLO Cc1cc([C@H]2C[N@H+](Cc3cnc4c(C#N)cnn4c3)CCO2)ccc1F ZINC000573803032 518842640 /nfs/dbraw/zinc/84/26/40/518842640.db2.gz ASBTXJRWLGICLH-GOSISDBHSA-N 1 2 351.385 2.622 20 30 FFEDLO Cc1cc([C@H]2C[N@@H+](Cc3cnc4c(C#N)cnn4c3)CCO2)ccc1F ZINC000573803032 518842645 /nfs/dbraw/zinc/84/26/45/518842645.db2.gz ASBTXJRWLGICLH-GOSISDBHSA-N 1 2 351.385 2.622 20 30 FFEDLO CCCc1c(NC(=O)[C@@H](C)[NH+]2CC(C)C2)cnn1-c1cccc(C#N)c1 ZINC000580091932 519005030 /nfs/dbraw/zinc/00/50/30/519005030.db2.gz RDAPKWKBYNYMSA-OAHLLOKOSA-N 1 2 351.454 2.975 20 30 FFEDLO Cc1ccc(CNC(=O)C2CC[NH+](Cc3nc(C#N)cs3)CC2)cc1F ZINC000589495127 519018284 /nfs/dbraw/zinc/01/82/84/519018284.db2.gz VSNSHXJNZKIZLY-UHFFFAOYSA-N 1 2 372.469 2.991 20 30 FFEDLO COc1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000565565158 519020696 /nfs/dbraw/zinc/02/06/96/519020696.db2.gz DLFVTIFMTBBCLS-UHFFFAOYSA-N 1 2 352.394 2.797 20 30 FFEDLO N#Cc1c(C(F)F)cccc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000577548138 519133648 /nfs/dbraw/zinc/13/36/48/519133648.db2.gz ULETZAJKRZIKHQ-UHFFFAOYSA-N 1 2 362.424 2.630 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1Br ZINC000590841889 519396969 /nfs/dbraw/zinc/39/69/69/519396969.db2.gz DHKCVOQSCHNIST-RISCZKNCSA-N 1 2 359.227 2.589 20 30 FFEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(I)cc1C ZINC000566429720 519488236 /nfs/dbraw/zinc/48/82/36/519488236.db2.gz XKIFZQNXRWFQTL-GFCCVEGCSA-N 1 2 371.222 2.820 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1nnc(C)c(C)c1C#N ZINC000581028984 519485527 /nfs/dbraw/zinc/48/55/27/519485527.db2.gz NQJWEDGCTGOTOJ-GJZGRUSLSA-N 1 2 358.421 2.594 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNc1nnc(C)c(C)c1C#N ZINC000581028984 519485535 /nfs/dbraw/zinc/48/55/35/519485535.db2.gz NQJWEDGCTGOTOJ-GJZGRUSLSA-N 1 2 358.421 2.594 20 30 FFEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1 ZINC000581103114 519522955 /nfs/dbraw/zinc/52/29/55/519522955.db2.gz MKLULXXQLWYOOC-LLVKDONJSA-N 1 2 361.858 2.914 20 30 FFEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1 ZINC000581103114 519522958 /nfs/dbraw/zinc/52/29/58/519522958.db2.gz MKLULXXQLWYOOC-LLVKDONJSA-N 1 2 361.858 2.914 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000578397466 519570660 /nfs/dbraw/zinc/57/06/60/519570660.db2.gz HLWJVSWPKWGIFG-UHFFFAOYSA-N 1 2 362.412 2.805 20 30 FFEDLO Cc1ccc(OCc2cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2)cn1 ZINC000584116540 519600468 /nfs/dbraw/zinc/60/04/68/519600468.db2.gz CBJJZGMWDUOXBV-HXUWFJFHSA-N 1 2 352.438 2.543 20 30 FFEDLO C[C@@H]1C[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)N1CC#N ZINC000602853285 519927043 /nfs/dbraw/zinc/92/70/43/519927043.db2.gz HNPGWXTWASSDKQ-ZIAGYGMSSA-N 1 2 355.398 2.668 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602857113 519928842 /nfs/dbraw/zinc/92/88/42/519928842.db2.gz OTSFZGAGNKFDSP-MGPQQGTHSA-N 1 2 368.403 2.951 20 30 FFEDLO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866277 519935640 /nfs/dbraw/zinc/93/56/40/519935640.db2.gz VMFCVTIPRZFETF-XLAORIBOSA-N 1 2 354.498 2.661 20 30 FFEDLO CCOC(=O)[C@@H](Cc1cccc2ccccc21)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000602946263 519987963 /nfs/dbraw/zinc/98/79/63/519987963.db2.gz TVOBFDARDUTCGD-UYAOXDASSA-N 1 2 366.461 2.958 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602980188 520006064 /nfs/dbraw/zinc/00/60/64/520006064.db2.gz MTJVITNDPNKPEC-XLIONFOSSA-N 1 2 365.481 2.729 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602980188 520006074 /nfs/dbraw/zinc/00/60/74/520006074.db2.gz MTJVITNDPNKPEC-XLIONFOSSA-N 1 2 365.481 2.729 20 30 FFEDLO C[C@@H]1CN(C(=O)c2ccccc2Oc2cc[nH+]cc2)C[C@H](C)N1CC#N ZINC000603092908 520073747 /nfs/dbraw/zinc/07/37/47/520073747.db2.gz RMTFGLQCUMMIOS-IYBDPMFKSA-N 1 2 350.422 2.932 20 30 FFEDLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)Nc1ccnc(C#N)c1 ZINC000603127840 520094249 /nfs/dbraw/zinc/09/42/49/520094249.db2.gz LNRRHWSWTUBNGX-INIZCTEOSA-N 1 2 371.466 2.552 20 30 FFEDLO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000608779918 520126251 /nfs/dbraw/zinc/12/62/51/520126251.db2.gz HRWOEBGDFWJQNA-KRWDZBQOSA-N 1 2 360.461 2.658 20 30 FFEDLO Cc1[nH+]c(C(C)C)ccc1Cn1cc(CNC(=O)c2cccc(C#N)c2)nn1 ZINC000603235121 520173213 /nfs/dbraw/zinc/17/32/13/520173213.db2.gz OFNMXMYAKGONME-UHFFFAOYSA-N 1 2 374.448 2.955 20 30 FFEDLO COc1ccc(-c2nc(C[N@@H+]3CC[C@@](O)(CC#N)C3)cs2)c(OC)c1 ZINC000592147926 520223181 /nfs/dbraw/zinc/22/31/81/520223181.db2.gz TZTAKZXLWFLXGJ-SFHVURJKSA-N 1 2 359.451 2.678 20 30 FFEDLO COc1ccc(-c2nc(C[N@H+]3CC[C@@](O)(CC#N)C3)cs2)c(OC)c1 ZINC000592147926 520223191 /nfs/dbraw/zinc/22/31/91/520223191.db2.gz TZTAKZXLWFLXGJ-SFHVURJKSA-N 1 2 359.451 2.678 20 30 FFEDLO COc1cccc(-c2nc(C[N@@H+]3CC[C@@](O)(CC#N)C3)cs2)c1OC ZINC000592148389 520225847 /nfs/dbraw/zinc/22/58/47/520225847.db2.gz YDAXVPVEAWPMKS-SFHVURJKSA-N 1 2 359.451 2.678 20 30 FFEDLO COc1cccc(-c2nc(C[N@H+]3CC[C@@](O)(CC#N)C3)cs2)c1OC ZINC000592148389 520225856 /nfs/dbraw/zinc/22/58/56/520225856.db2.gz YDAXVPVEAWPMKS-SFHVURJKSA-N 1 2 359.451 2.678 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000592149431 520226292 /nfs/dbraw/zinc/22/62/92/520226292.db2.gz OXMWLIUEOQLBFN-LJQANCHMSA-N 1 2 373.840 2.567 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000592149431 520226301 /nfs/dbraw/zinc/22/63/01/520226301.db2.gz OXMWLIUEOQLBFN-LJQANCHMSA-N 1 2 373.840 2.567 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000592150058 520230570 /nfs/dbraw/zinc/23/05/70/520230570.db2.gz BYRJODPNHPZYDQ-MRXNPFEDSA-N 1 2 362.227 2.955 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000592150058 520230578 /nfs/dbraw/zinc/23/05/78/520230578.db2.gz BYRJODPNHPZYDQ-MRXNPFEDSA-N 1 2 362.227 2.955 20 30 FFEDLO C=C(C)Cn1c(SCC(=O)N(C)Cc2c[nH+]c[nH]2)nnc1-c1ccco1 ZINC000616926579 520243711 /nfs/dbraw/zinc/24/37/11/520243711.db2.gz IHRMGXGWHRBPLH-UHFFFAOYSA-N 1 2 372.454 2.588 20 30 FFEDLO C=C(C)Cn1c(SCC(=O)N(C)Cc2c[nH]c[nH+]2)nnc1-c1ccco1 ZINC000616926579 520243717 /nfs/dbraw/zinc/24/37/17/520243717.db2.gz IHRMGXGWHRBPLH-UHFFFAOYSA-N 1 2 372.454 2.588 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3cccc(F)c3C#N)CC2)[C@H]1C ZINC000603601833 520322995 /nfs/dbraw/zinc/32/29/95/520322995.db2.gz MGHHFROYVAGXOG-GJYPPUQNSA-N 1 2 372.488 2.760 20 30 FFEDLO CCN(CC)c1ccc(CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)c[nH+]1 ZINC000603691957 520344624 /nfs/dbraw/zinc/34/46/24/520344624.db2.gz ZQLGMVLICRLMFB-HNNXBMFYSA-N 1 2 352.438 2.883 20 30 FFEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609539316 520350344 /nfs/dbraw/zinc/35/03/44/520350344.db2.gz XNFVSYALIMWMJZ-BJLQDIEVSA-N 1 2 356.514 2.727 20 30 FFEDLO Cc1cc(N2CCN(Cc3[nH]cc[nH+]3)CC2)n2c3ccccc3nc2c1C#N ZINC000609595570 520371855 /nfs/dbraw/zinc/37/18/55/520371855.db2.gz MKQIGPHBPPTVKG-UHFFFAOYSA-N 1 2 371.448 2.713 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000592522107 520436495 /nfs/dbraw/zinc/43/64/95/520436495.db2.gz HUPRPEVIKXOCDA-FUHWJXTLSA-N 1 2 350.846 2.748 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000592522107 520436501 /nfs/dbraw/zinc/43/65/01/520436501.db2.gz HUPRPEVIKXOCDA-FUHWJXTLSA-N 1 2 350.846 2.748 20 30 FFEDLO Cc1[nH+]cn(-c2ccc(NC[C@@H](O)CC3(C#N)CCOCC3)cc2)c1C ZINC000600739318 520437000 /nfs/dbraw/zinc/43/70/00/520437000.db2.gz QZLYDTKNWUFWGZ-IBGZPJMESA-N 1 2 354.454 2.972 20 30 FFEDLO N#Cc1c(NC(=O)C[N@H+]2CCC[C@H](CCO)C2)sc2c1CCCCC2 ZINC000609848344 520455808 /nfs/dbraw/zinc/45/58/08/520455808.db2.gz BUECYSAJCYPWFZ-CQSZACIVSA-N 1 2 361.511 2.922 20 30 FFEDLO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@H](CCO)C2)sc2c1CCCCC2 ZINC000609848344 520455812 /nfs/dbraw/zinc/45/58/12/520455812.db2.gz BUECYSAJCYPWFZ-CQSZACIVSA-N 1 2 361.511 2.922 20 30 FFEDLO CC[C@@H](C(=O)N1CCc2c(CC#N)cccc2C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000600790115 520471505 /nfs/dbraw/zinc/47/15/05/520471505.db2.gz VWRLUZYRHHAYEP-QUCCMNQESA-N 1 2 355.482 2.527 20 30 FFEDLO CC[C@@H](C(=O)N1CCc2c(CC#N)cccc2C1)[N@H+]1CCO[C@H](CC)C1 ZINC000600790115 520471511 /nfs/dbraw/zinc/47/15/11/520471511.db2.gz VWRLUZYRHHAYEP-QUCCMNQESA-N 1 2 355.482 2.527 20 30 FFEDLO Cc1cccc([C@@H](CNC(=O)C2(C#N)CC3(CC3)C2)[NH+]2CCOCC2)c1 ZINC000600996988 520585153 /nfs/dbraw/zinc/58/51/53/520585153.db2.gz NBGPVGIMUMRUFJ-GOSISDBHSA-N 1 2 353.466 2.569 20 30 FFEDLO CCOC(=O)c1[nH]c(C[N@@H+]2CCC[C@@H](CC#N)C2)c(C(=O)OCC)c1C ZINC000595609165 520589628 /nfs/dbraw/zinc/58/96/28/520589628.db2.gz HIRYNKSOBKOSMM-AWEZNQCLSA-N 1 2 361.442 2.802 20 30 FFEDLO CCOC(=O)c1[nH]c(C[N@H+]2CCC[C@@H](CC#N)C2)c(C(=O)OCC)c1C ZINC000595609165 520589633 /nfs/dbraw/zinc/58/96/33/520589633.db2.gz HIRYNKSOBKOSMM-AWEZNQCLSA-N 1 2 361.442 2.802 20 30 FFEDLO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)n[nH]1 ZINC000595613864 520593841 /nfs/dbraw/zinc/59/38/41/520593841.db2.gz FKPUUFUJKPAUPT-OAHLLOKOSA-N 1 2 352.442 2.653 20 30 FFEDLO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)n[nH]1 ZINC000595613864 520593846 /nfs/dbraw/zinc/59/38/46/520593846.db2.gz FKPUUFUJKPAUPT-OAHLLOKOSA-N 1 2 352.442 2.653 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595615709 520594291 /nfs/dbraw/zinc/59/42/91/520594291.db2.gz RTMIXJLULBKZAT-IRXDYDNUSA-N 1 2 354.454 2.956 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595615709 520594300 /nfs/dbraw/zinc/59/43/00/520594300.db2.gz RTMIXJLULBKZAT-IRXDYDNUSA-N 1 2 354.454 2.956 20 30 FFEDLO COC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1)CCC2 ZINC000595615195 520594397 /nfs/dbraw/zinc/59/43/97/520594397.db2.gz KSQJPOKDWNMRDX-GFCCVEGCSA-N 1 2 361.467 2.588 20 30 FFEDLO COC(=O)c1c2c(sc1NC(=O)C[N@H+]1CCC[C@H](CC#N)C1)CCC2 ZINC000595615195 520594406 /nfs/dbraw/zinc/59/44/06/520594406.db2.gz KSQJPOKDWNMRDX-GFCCVEGCSA-N 1 2 361.467 2.588 20 30 FFEDLO Cc1noc(C)c1[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000604548454 520597190 /nfs/dbraw/zinc/59/71/90/520597190.db2.gz WTCOSHFZLHKNDP-CQSZACIVSA-N 1 2 352.438 2.611 20 30 FFEDLO COc1cc(-c2noc(C[N@@H+]3CCC[C@H](CC#N)C3)n2)cc(OC)c1OC ZINC000595616575 520598100 /nfs/dbraw/zinc/59/81/00/520598100.db2.gz RWILHBTZWDSAEI-CYBMUJFWSA-N 1 2 372.425 2.888 20 30 FFEDLO COc1cc(-c2noc(C[N@H+]3CCC[C@H](CC#N)C3)n2)cc(OC)c1OC ZINC000595616575 520598111 /nfs/dbraw/zinc/59/81/11/520598111.db2.gz RWILHBTZWDSAEI-CYBMUJFWSA-N 1 2 372.425 2.888 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595620030 520599576 /nfs/dbraw/zinc/59/95/76/520599576.db2.gz JVCFSXOEXMUAIM-RYUDHWBXSA-N 1 2 351.353 2.961 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595620030 520599583 /nfs/dbraw/zinc/59/95/83/520599583.db2.gz JVCFSXOEXMUAIM-RYUDHWBXSA-N 1 2 351.353 2.961 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632314 520609260 /nfs/dbraw/zinc/60/92/60/520609260.db2.gz DPMJAKFBFAQICQ-OWCLPIDISA-N 1 2 360.527 2.825 20 30 FFEDLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632311 520609469 /nfs/dbraw/zinc/60/94/69/520609469.db2.gz DPMJAKFBFAQICQ-OAGGEKHMSA-N 1 2 360.527 2.825 20 30 FFEDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633637 520611655 /nfs/dbraw/zinc/61/16/55/520611655.db2.gz RCCLFBHYRYRUAB-HZPDHXFCSA-N 1 2 360.527 2.921 20 30 FFEDLO Cn1cc[nH+]c1C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000610268909 520613667 /nfs/dbraw/zinc/61/36/67/520613667.db2.gz QWWQLKOTZPWYIQ-SFHVURJKSA-N 1 2 366.446 2.554 20 30 FFEDLO N#CC[C@]1(O)CCN(C(=O)Cn2c3ccccc3[nH+]c2C2CCCCC2)C1 ZINC000592846385 520614525 /nfs/dbraw/zinc/61/45/25/520614525.db2.gz DGYIEZGTQRAIAO-NRFANRHFSA-N 1 2 366.465 2.961 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595711584 520666484 /nfs/dbraw/zinc/66/64/84/520666484.db2.gz JCXCABIXUDPTEZ-ZDUSSCGKSA-N 1 2 370.478 2.569 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595711584 520666494 /nfs/dbraw/zinc/66/64/94/520666494.db2.gz JCXCABIXUDPTEZ-ZDUSSCGKSA-N 1 2 370.478 2.569 20 30 FFEDLO Cc1nc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)oc1C ZINC000595727021 520675837 /nfs/dbraw/zinc/67/58/37/520675837.db2.gz UUAXVEAXVVMVAC-UHFFFAOYSA-N 1 2 362.437 2.875 20 30 FFEDLO CC(C)Oc1cc[nH+]c(CN2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000593021716 520689076 /nfs/dbraw/zinc/68/90/76/520689076.db2.gz XJRBXYLFDYNDLY-UHFFFAOYSA-N 1 2 367.453 2.928 20 30 FFEDLO Cc1cccn2cc(CCNS(=O)(=O)c3ccc(Cl)c(C#N)c3)[nH+]c12 ZINC000610471207 520703073 /nfs/dbraw/zinc/70/30/73/520703073.db2.gz HAWDXBBLNLCYIR-UHFFFAOYSA-N 1 2 374.853 2.689 20 30 FFEDLO C[N@@H+](Cc1nc2c(s1)CCCC2)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610477094 520707373 /nfs/dbraw/zinc/70/73/73/520707373.db2.gz GLJHDWHMLVEOFZ-INIZCTEOSA-N 1 2 371.506 2.960 20 30 FFEDLO C[N@H+](Cc1nc2c(s1)CCCC2)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610477094 520707380 /nfs/dbraw/zinc/70/73/80/520707380.db2.gz GLJHDWHMLVEOFZ-INIZCTEOSA-N 1 2 371.506 2.960 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000610581183 520749912 /nfs/dbraw/zinc/74/99/12/520749912.db2.gz JQPAPUBFTBOSMQ-ZVDOUQERSA-N 1 2 361.445 2.841 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000610581183 520749917 /nfs/dbraw/zinc/74/99/17/520749917.db2.gz JQPAPUBFTBOSMQ-ZVDOUQERSA-N 1 2 361.445 2.841 20 30 FFEDLO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595835203 520757645 /nfs/dbraw/zinc/75/76/45/520757645.db2.gz PNQNVTIBXLPASP-XLIONFOSSA-N 1 2 357.454 2.603 20 30 FFEDLO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595835203 520757653 /nfs/dbraw/zinc/75/76/53/520757653.db2.gz PNQNVTIBXLPASP-XLIONFOSSA-N 1 2 357.454 2.603 20 30 FFEDLO Cc1ccc2[nH+]c(CN3CCN(c4oc(C5CC5)nc4C#N)CC3)cn2c1 ZINC000610613506 520766243 /nfs/dbraw/zinc/76/62/43/520766243.db2.gz SCMFCTYILMARGD-UHFFFAOYSA-N 1 2 362.437 2.702 20 30 FFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000610719256 520813526 /nfs/dbraw/zinc/81/35/26/520813526.db2.gz IIPYQMNXUPOMEJ-UHFFFAOYSA-N 1 2 351.385 2.757 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cc(C(F)F)ccc1F ZINC000593251301 520858619 /nfs/dbraw/zinc/85/86/19/520858619.db2.gz ITZREYSPMXJRBM-UHFFFAOYSA-N 1 2 370.375 2.843 20 30 FFEDLO Cc1ncc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000601645493 520880996 /nfs/dbraw/zinc/88/09/96/520880996.db2.gz WWGJZBSRXXIQJO-CQSZACIVSA-N 1 2 369.494 2.912 20 30 FFEDLO N#Cc1cc2cccnc2nc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000596107898 520915921 /nfs/dbraw/zinc/91/59/21/520915921.db2.gz IYPCBIKFBLQJFF-UHFFFAOYSA-N 1 2 350.451 2.670 20 30 FFEDLO N#Cc1cc2cccnc2nc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000596107898 520915926 /nfs/dbraw/zinc/91/59/26/520915926.db2.gz IYPCBIKFBLQJFF-UHFFFAOYSA-N 1 2 350.451 2.670 20 30 FFEDLO N#CCc1ccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1 ZINC000601851775 520989039 /nfs/dbraw/zinc/98/90/39/520989039.db2.gz SCGMWQLQFVHHMW-UHFFFAOYSA-N 1 2 352.463 2.631 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1c(Cl)oc2ccccc21 ZINC000593444130 520996314 /nfs/dbraw/zinc/99/63/14/520996314.db2.gz VRVGKRXGYREUMO-UHFFFAOYSA-N 1 2 361.829 2.774 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCCN(c3nccs3)CC2)c1C#N ZINC000611126670 520999131 /nfs/dbraw/zinc/99/91/31/520999131.db2.gz OWYFODXDJRXCQT-UHFFFAOYSA-N 1 2 356.451 2.514 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCCN(c3nccs3)CC2)c1C#N ZINC000611126670 520999137 /nfs/dbraw/zinc/99/91/37/520999137.db2.gz OWYFODXDJRXCQT-UHFFFAOYSA-N 1 2 356.451 2.514 20 30 FFEDLO N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000593448704 520999424 /nfs/dbraw/zinc/99/94/24/520999424.db2.gz WFLUFQYXRVRUTO-CYBMUJFWSA-N 1 2 373.254 2.993 20 30 FFEDLO CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000611152792 521012455 /nfs/dbraw/zinc/01/24/55/521012455.db2.gz FIKISPYQNBWAKA-IEBWSBKVSA-N 1 2 374.481 2.689 20 30 FFEDLO CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000611152792 521012462 /nfs/dbraw/zinc/01/24/62/521012462.db2.gz FIKISPYQNBWAKA-IEBWSBKVSA-N 1 2 374.481 2.689 20 30 FFEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1)c1cccc2ccccc21 ZINC000611175174 521023283 /nfs/dbraw/zinc/02/32/83/521023283.db2.gz UZWHQXVJQKPTOK-MSOLQXFVSA-N 1 2 364.493 2.937 20 30 FFEDLO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[NH+]1CCN(CCC#N)CC1 ZINC000611174476 521023640 /nfs/dbraw/zinc/02/36/40/521023640.db2.gz FQEJRCDYQYOFMR-ZWKOTPCHSA-N 1 2 368.525 2.662 20 30 FFEDLO C[C@H](NC(=O)C[NH+]1CCN(CCC#N)CC1)c1cccc2ccccc21 ZINC000611174786 521024098 /nfs/dbraw/zinc/02/40/98/521024098.db2.gz MWIKGWUKDSOBIL-KRWDZBQOSA-N 1 2 350.466 2.548 20 30 FFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601971618 521047979 /nfs/dbraw/zinc/04/79/79/521047979.db2.gz DAEBCIAYOGVCMM-DGSCNEQVSA-N 1 2 357.445 2.662 20 30 FFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601971618 521047988 /nfs/dbraw/zinc/04/79/88/521047988.db2.gz DAEBCIAYOGVCMM-DGSCNEQVSA-N 1 2 357.445 2.662 20 30 FFEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccsc1C#N)c1ccccc1Cl ZINC000593525137 521049560 /nfs/dbraw/zinc/04/95/60/521049560.db2.gz JTJNWFNPPTXLOW-ZDUSSCGKSA-N 1 2 369.899 2.854 20 30 FFEDLO N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000602145712 521171527 /nfs/dbraw/zinc/17/15/27/521171527.db2.gz VTDCYRYEEZISQO-JFIYKMOQSA-N 1 2 369.856 2.576 20 30 FFEDLO N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000602145712 521171532 /nfs/dbraw/zinc/17/15/32/521171532.db2.gz VTDCYRYEEZISQO-JFIYKMOQSA-N 1 2 369.856 2.576 20 30 FFEDLO N#CC1(CC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)CCOCC1 ZINC000596629491 521175306 /nfs/dbraw/zinc/17/53/06/521175306.db2.gz HXIPEULLUFFDPF-DAXSKMNVSA-N 1 2 353.466 2.554 20 30 FFEDLO CO[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000596657813 521197112 /nfs/dbraw/zinc/19/71/12/521197112.db2.gz BRSMDEAAQQLCTH-HXUWFJFHSA-N 1 2 355.482 2.798 20 30 FFEDLO N#Cc1cc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)ccc1Cl ZINC000602198064 521203312 /nfs/dbraw/zinc/20/33/12/521203312.db2.gz IUXJANCGBWCLIR-UHFFFAOYSA-N 1 2 354.841 2.607 20 30 FFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)NCCc1ccc(C#N)cc1 ZINC000596671695 521206001 /nfs/dbraw/zinc/20/60/01/521206001.db2.gz FHXJVRQWVNATQL-UHFFFAOYSA-N 1 2 365.359 2.701 20 30 FFEDLO N#Cc1ccc(CCNC(=O)Nc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000596673735 521207775 /nfs/dbraw/zinc/20/77/75/521207775.db2.gz PMYUYSCCRWQTRO-UHFFFAOYSA-N 1 2 364.449 2.755 20 30 FFEDLO C[C@H](C(=O)NCC1(C#N)CCCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000593779525 521208837 /nfs/dbraw/zinc/20/88/37/521208837.db2.gz LJBKTZQVTKXZQA-MRXNPFEDSA-N 1 2 358.461 2.536 20 30 FFEDLO N#Cc1ccccc1OCC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611550439 521213199 /nfs/dbraw/zinc/21/31/99/521213199.db2.gz AXMUHCXAAMIRBQ-FQEVSTJZSA-N 1 2 364.424 2.959 20 30 FFEDLO CC(C)(C)CCNC(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551521 521215520 /nfs/dbraw/zinc/21/55/20/521215520.db2.gz MKDUEKWGSHXBCB-SFHVURJKSA-N 1 2 360.477 2.560 20 30 FFEDLO CCOc1ccc(C#N)cc1NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000596703602 521233306 /nfs/dbraw/zinc/23/33/06/521233306.db2.gz ORKKZPKQGWMVLK-UHFFFAOYSA-N 1 2 372.469 2.533 20 30 FFEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000618784500 521233749 /nfs/dbraw/zinc/23/37/49/521233749.db2.gz SQXBVAGVAYPHKQ-OAQYLSRUSA-N 1 2 361.445 2.808 20 30 FFEDLO C=CCCSCCNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000596721294 521244028 /nfs/dbraw/zinc/24/40/28/521244028.db2.gz GVPKWPVLOFKRFR-UHFFFAOYSA-N 1 2 363.527 2.832 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000596732924 521252328 /nfs/dbraw/zinc/25/23/28/521252328.db2.gz SJCBOANPUVTYKK-MGPQQGTHSA-N 1 2 359.227 2.667 20 30 FFEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H](C#N)c1ccccc1Br)CC2 ZINC000599489255 521255279 /nfs/dbraw/zinc/25/52/79/521255279.db2.gz UGVOYFBVEGGZTB-SWLSCSKDSA-N 1 2 373.254 2.898 20 30 FFEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000618890590 521280345 /nfs/dbraw/zinc/28/03/45/521280345.db2.gz KHTLUWKCHNUDDI-NRFANRHFSA-N 1 2 361.445 2.808 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC000602336751 521287588 /nfs/dbraw/zinc/28/75/88/521287588.db2.gz ZVJRVIBATCZSEZ-GOSISDBHSA-N 1 2 358.829 2.681 20 30 FFEDLO N#CCC(=O)N1CC[NH+](CCOc2ccc(Oc3ccccc3)cc2)CC1 ZINC000594003241 521343337 /nfs/dbraw/zinc/34/33/37/521343337.db2.gz NCCUVYNEYOWEEH-UHFFFAOYSA-N 1 2 365.433 2.916 20 30 FFEDLO N#CCSCCC[N@H+]1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 ZINC000599670411 521384363 /nfs/dbraw/zinc/38/43/63/521384363.db2.gz UWZKQCFGMDIOJW-UHFFFAOYSA-N 1 2 371.428 2.996 20 30 FFEDLO N#CCSCCC[N@@H+]1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 ZINC000599670411 521384369 /nfs/dbraw/zinc/38/43/69/521384369.db2.gz UWZKQCFGMDIOJW-UHFFFAOYSA-N 1 2 371.428 2.996 20 30 FFEDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678250 521392641 /nfs/dbraw/zinc/39/26/41/521392641.db2.gz SDODPRRKVATAOT-UHFFFAOYSA-N 1 2 364.405 2.966 20 30 FFEDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678250 521392651 /nfs/dbraw/zinc/39/26/51/521392651.db2.gz SDODPRRKVATAOT-UHFFFAOYSA-N 1 2 364.405 2.966 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594083020 521396872 /nfs/dbraw/zinc/39/68/72/521396872.db2.gz DQNSYPLBMITBHY-UHFFFAOYSA-N 1 2 363.421 2.646 20 30 FFEDLO N#Cc1ccc(NCC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000619144111 521416039 /nfs/dbraw/zinc/41/60/39/521416039.db2.gz AFDRZYFJIVJBNY-UHFFFAOYSA-N 1 2 363.465 2.909 20 30 FFEDLO N#CC1(c2ccc(C[NH+]3CCN(C(=O)N4CCCCC4)CC3)cc2)CC1 ZINC000596982675 521422572 /nfs/dbraw/zinc/42/25/72/521422572.db2.gz FBJOEALMULTQFV-UHFFFAOYSA-N 1 2 352.482 2.965 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000597022506 521452282 /nfs/dbraw/zinc/45/22/82/521452282.db2.gz QISRJLLXANSTKV-RTWAWAEBSA-N 1 2 369.509 2.720 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1cccc(Br)c1 ZINC000597042014 521462842 /nfs/dbraw/zinc/46/28/42/521462842.db2.gz SGMJYIRGCWJSAB-DOMZBBRYSA-N 1 2 359.227 2.589 20 30 FFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594212591 521477307 /nfs/dbraw/zinc/47/73/07/521477307.db2.gz ZWOGTWYCAAJVFK-GOSISDBHSA-N 1 2 372.472 2.953 20 30 FFEDLO COc1cc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(F)cc1C#N ZINC000599814224 521489084 /nfs/dbraw/zinc/48/90/84/521489084.db2.gz XXWPYFRRUGUILQ-CQSZACIVSA-N 1 2 356.357 2.786 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(C(F)(F)F)ccn3)CC2)cc1 ZINC000602759132 521518181 /nfs/dbraw/zinc/51/81/81/521518181.db2.gz PNEDTQQTLCLVEM-UHFFFAOYSA-N 1 2 374.366 2.930 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000612353958 521589166 /nfs/dbraw/zinc/58/91/66/521589166.db2.gz GOKCZFQJFKSGFV-INIZCTEOSA-N 1 2 369.425 2.649 20 30 FFEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@]2(CCOC2)O1 ZINC000619516469 521604602 /nfs/dbraw/zinc/60/46/02/521604602.db2.gz OXGRCQCIILSPAH-SFHVURJKSA-N 1 2 352.381 2.930 20 30 FFEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@]2(CCOC2)O1 ZINC000619516469 521604604 /nfs/dbraw/zinc/60/46/04/521604604.db2.gz OXGRCQCIILSPAH-SFHVURJKSA-N 1 2 352.381 2.930 20 30 FFEDLO CC[N@H+](CCCNS(=O)(=O)c1ccccc1CC#N)c1ccccc1 ZINC000619572168 521774700 /nfs/dbraw/zinc/77/47/00/521774700.db2.gz QCYINLOCPIRZIZ-UHFFFAOYSA-N 1 2 357.479 2.948 20 30 FFEDLO CC[N@@H+](CCCNS(=O)(=O)c1ccccc1CC#N)c1ccccc1 ZINC000619572168 521774713 /nfs/dbraw/zinc/77/47/13/521774713.db2.gz QCYINLOCPIRZIZ-UHFFFAOYSA-N 1 2 357.479 2.948 20 30 FFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000619596766 521789922 /nfs/dbraw/zinc/78/99/22/521789922.db2.gz VRIHTEGDQGUMGQ-LJQANCHMSA-N 1 2 361.449 2.781 20 30 FFEDLO Cc1nn(C(C)C)cc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000619611655 521795968 /nfs/dbraw/zinc/79/59/68/521795968.db2.gz IOIJGCJQFCRVAS-UHFFFAOYSA-N 1 2 354.458 2.832 20 30 FFEDLO C=CC[C@H]1CCN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000623505000 522074921 /nfs/dbraw/zinc/07/49/21/522074921.db2.gz JGDCWIPCZXVUDT-SFHVURJKSA-N 1 2 373.497 2.505 20 30 FFEDLO C=CCn1c(CCC(C)C)n[n-]c1=[NH+]c1cnn(C2CC[NH+](C)CC2)c1 ZINC000634341166 523357539 /nfs/dbraw/zinc/35/75/39/523357539.db2.gz NAXRNILWPIETDT-UHFFFAOYSA-N 1 2 357.506 2.681 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1OC ZINC000628239897 523432044 /nfs/dbraw/zinc/43/20/44/523432044.db2.gz IJORCMSKWFURAJ-SFHVURJKSA-N 1 2 353.846 2.905 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1OC ZINC000628239897 523432045 /nfs/dbraw/zinc/43/20/45/523432045.db2.gz IJORCMSKWFURAJ-SFHVURJKSA-N 1 2 353.846 2.905 20 30 FFEDLO C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000833551103 604925092 /nfs/dbraw/zinc/92/50/92/604925092.db2.gz QSXFCYOEORSGHE-QRWLVFNGSA-N 1 2 364.449 2.894 20 30 FFEDLO C=CC[N@H+](Cc1cccs1)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000076461331 728261474 /nfs/dbraw/zinc/26/14/74/728261474.db2.gz CEDNGULBKPIZKF-KRWDZBQOSA-N 1 2 351.493 2.873 20 30 FFEDLO C=CC[N@@H+](Cc1cccs1)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000076461331 728261476 /nfs/dbraw/zinc/26/14/76/728261476.db2.gz CEDNGULBKPIZKF-KRWDZBQOSA-N 1 2 351.493 2.873 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(C3=NC[C@@H](C)S3)CC2)cc1OC ZINC000093663084 728476936 /nfs/dbraw/zinc/47/69/36/728476936.db2.gz VIKWWPMWJKHMNM-OAHLLOKOSA-N 1 2 361.511 2.869 20 30 FFEDLO C=CC1CC[NH+](Cn2nc(N3CCOCC3)n(CC(C)C)c2=S)CC1 ZINC000111166694 728534716 /nfs/dbraw/zinc/53/47/16/728534716.db2.gz FAEZCTOSKOKGFE-UHFFFAOYSA-N 1 2 365.547 2.762 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000177555815 729138871 /nfs/dbraw/zinc/13/88/71/729138871.db2.gz RYBQKXDNAWGRIA-UHFFFAOYSA-N 1 2 370.377 2.529 20 30 FFEDLO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3occc3Br)C2=O)cc1 ZINC000752933937 736024383 /nfs/dbraw/zinc/02/43/83/736024383.db2.gz OEAIWDRHVZIGNP-HNNXBMFYSA-N 1 2 374.238 2.804 20 30 FFEDLO N#Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)nc1 ZINC000861730168 730637228 /nfs/dbraw/zinc/63/72/28/730637228.db2.gz MWQGFSMVUDVHOG-GOSISDBHSA-N 1 2 354.841 2.887 20 30 FFEDLO N#Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)nc1 ZINC000861730168 730637229 /nfs/dbraw/zinc/63/72/29/730637229.db2.gz MWQGFSMVUDVHOG-GOSISDBHSA-N 1 2 354.841 2.887 20 30 FFEDLO C=CC[C@H]1CC[N@@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000862441288 730702803 /nfs/dbraw/zinc/70/28/03/730702803.db2.gz QGCMDIMPMXSNCX-KBPBESRZSA-N 1 2 357.907 2.603 20 30 FFEDLO C=CC[C@H]1CC[N@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000862441288 730702805 /nfs/dbraw/zinc/70/28/05/730702805.db2.gz QGCMDIMPMXSNCX-KBPBESRZSA-N 1 2 357.907 2.603 20 30 FFEDLO C=C(Cl)C[C@@H]1NC(=O)N([C@H](Cc2[nH+]ccn2C)c2ccccc2)C1=O ZINC000865302396 730937731 /nfs/dbraw/zinc/93/77/31/730937731.db2.gz VONFUUWVRYNBFX-LSDHHAIUSA-N 1 2 358.829 2.767 20 30 FFEDLO C[C@@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1cccc(C#N)c1O ZINC000866397282 731055237 /nfs/dbraw/zinc/05/52/37/731055237.db2.gz GIRPWHHFMQTSGW-CYBMUJFWSA-N 1 2 354.397 2.871 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)nn1 ZINC000653612239 731278037 /nfs/dbraw/zinc/27/80/37/731278037.db2.gz FKXMPLDWVAFLRX-CQSZACIVSA-N 1 2 354.380 2.907 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)nn1 ZINC000653612239 731278040 /nfs/dbraw/zinc/27/80/40/731278040.db2.gz FKXMPLDWVAFLRX-CQSZACIVSA-N 1 2 354.380 2.907 20 30 FFEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCCc1c[nH+]cn1C ZINC000869581687 731415471 /nfs/dbraw/zinc/41/54/71/731415471.db2.gz XXVDMGXOZMZUTR-CYBMUJFWSA-N 1 2 357.838 2.542 20 30 FFEDLO C#CCN(C(=O)NCc1cc[nH+]c(N2CCSCC2)c1)C1CCCC1 ZINC000876039031 732209686 /nfs/dbraw/zinc/20/96/86/732209686.db2.gz XSFFPXMJDJDEQE-UHFFFAOYSA-N 1 2 358.511 2.722 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876653567 732265849 /nfs/dbraw/zinc/26/58/49/732265849.db2.gz ONCZVZBHHDDDGK-LBPRGKRZSA-N 1 2 350.850 2.953 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876653567 732265851 /nfs/dbraw/zinc/26/58/51/732265851.db2.gz ONCZVZBHHDDDGK-LBPRGKRZSA-N 1 2 350.850 2.953 20 30 FFEDLO N#Cc1ccc(C[N@@H+](CC2CC2)[C@H](C(N)=O)C2CC2)c(Br)c1 ZINC000879485305 732709311 /nfs/dbraw/zinc/70/93/11/732709311.db2.gz DCAKSHBOYGWGRD-INIZCTEOSA-N 1 2 362.271 2.797 20 30 FFEDLO N#Cc1ccc(C[N@H+](CC2CC2)[C@H](C(N)=O)C2CC2)c(Br)c1 ZINC000879485305 732709315 /nfs/dbraw/zinc/70/93/15/732709315.db2.gz DCAKSHBOYGWGRD-INIZCTEOSA-N 1 2 362.271 2.797 20 30 FFEDLO C#CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000880479900 732913330 /nfs/dbraw/zinc/91/33/30/732913330.db2.gz BKEIAUVIQPNKLP-CYBMUJFWSA-N 1 2 350.846 2.526 20 30 FFEDLO C#CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1 ZINC000880482127 732913776 /nfs/dbraw/zinc/91/37/76/732913776.db2.gz YMLRUYJDDZBSSX-LBPRGKRZSA-N 1 2 361.442 2.613 20 30 FFEDLO C[N@H+](CC(F)F)C1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000882058371 733164312 /nfs/dbraw/zinc/16/43/12/733164312.db2.gz OLALRLYVUMFJEX-UHFFFAOYSA-N 1 2 359.218 2.881 20 30 FFEDLO C[N@@H+](CC(F)F)C1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000882058371 733164315 /nfs/dbraw/zinc/16/43/15/733164315.db2.gz OLALRLYVUMFJEX-UHFFFAOYSA-N 1 2 359.218 2.881 20 30 FFEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)c2ccc(CCC#N)cc2)c1C ZINC000884992195 733604364 /nfs/dbraw/zinc/60/43/64/733604364.db2.gz DRVHTEXNUHOUNY-UHFFFAOYSA-N 1 2 359.451 2.642 20 30 FFEDLO C=C(Br)CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000782999118 738771731 /nfs/dbraw/zinc/77/17/31/738771731.db2.gz MGMZYOQMEHTUSX-UHFFFAOYSA-N 1 2 355.280 2.994 20 30 FFEDLO CC(C)(C)c1csc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1C#N ZINC000888226306 734023763 /nfs/dbraw/zinc/02/37/63/734023763.db2.gz XOVBJOMLDCPEIX-CYBMUJFWSA-N 1 2 362.499 2.856 20 30 FFEDLO C#C[C@H]([NH2+]Cc1c2c(nn1C)CCOC2)c1ccc(Br)cc1 ZINC000894669688 734898363 /nfs/dbraw/zinc/89/83/63/734898363.db2.gz WYPBFNKUNRTZHC-HNNXBMFYSA-N 1 2 360.255 2.719 20 30 FFEDLO C#CC1(O)CC[NH+](Cc2cc(Br)c(O)c(OCC)c2)CC1 ZINC000895384009 734998590 /nfs/dbraw/zinc/99/85/90/734998590.db2.gz FHSYFLWBYGFEPT-UHFFFAOYSA-N 1 2 354.244 2.514 20 30 FFEDLO C[NH+](C)Cc1csc(CNc2cc(C#N)c(Br)cn2)n1 ZINC000895480342 735012752 /nfs/dbraw/zinc/01/27/52/735012752.db2.gz HKZKMCINUCLMRD-UHFFFAOYSA-N 1 2 352.261 2.846 20 30 FFEDLO C#CCC1(O)CC[NH+](Cc2cc(O)c(OC)cc2Br)CC1 ZINC000895669936 735038686 /nfs/dbraw/zinc/03/86/86/735038686.db2.gz LZXNJMNTEZZGML-UHFFFAOYSA-N 1 2 354.244 2.514 20 30 FFEDLO C#CCSCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000740050944 735066243 /nfs/dbraw/zinc/06/62/43/735066243.db2.gz HQKIPOOJOJZEML-CQSZACIVSA-N 1 2 367.465 2.595 20 30 FFEDLO C#CCSCCNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000740050944 735066246 /nfs/dbraw/zinc/06/62/46/735066246.db2.gz HQKIPOOJOJZEML-CQSZACIVSA-N 1 2 367.465 2.595 20 30 FFEDLO Cc1ccn(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)c(=O)c1C#N ZINC000905732458 736390337 /nfs/dbraw/zinc/39/03/37/736390337.db2.gz IASRYDMSUFVTAK-AWEZNQCLSA-N 1 2 354.479 2.811 20 30 FFEDLO Cc1ccn(C[N@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)c(=O)c1C#N ZINC000905732458 736390339 /nfs/dbraw/zinc/39/03/39/736390339.db2.gz IASRYDMSUFVTAK-AWEZNQCLSA-N 1 2 354.479 2.811 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1cccc(F)c1C#N ZINC000758174124 736458852 /nfs/dbraw/zinc/45/88/52/736458852.db2.gz YHZXPUOEDICOAJ-UHFFFAOYSA-N 1 2 364.446 2.557 20 30 FFEDLO CCC(=[NH+]NC(=S)NCCc1ccccn1)c1ccc(N(C)C)cc1 ZINC000759197114 736554202 /nfs/dbraw/zinc/55/42/02/736554202.db2.gz QTAXMWIRJMJGAL-UHFFFAOYSA-N 1 2 355.511 2.969 20 30 FFEDLO C=C(C)[C@@H](NC(=O)/C=C(/C)C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000907461031 736631599 /nfs/dbraw/zinc/63/15/99/736631599.db2.gz LDFAOWKIUPQMOP-LMICACPXSA-N 1 2 350.409 2.977 20 30 FFEDLO C#CCOc1ccccc1C[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000763382697 736934184 /nfs/dbraw/zinc/93/41/84/736934184.db2.gz KVQQYTSGBJAJIC-KRWDZBQOSA-N 1 2 373.250 2.777 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000767679334 737353601 /nfs/dbraw/zinc/35/36/01/737353601.db2.gz GJCOQWLFJBZCEO-OAHLLOKOSA-N 1 2 350.484 2.538 20 30 FFEDLO C=CC[N@@H+](Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S)C1CC1 ZINC000771640489 737744214 /nfs/dbraw/zinc/74/42/14/737744214.db2.gz GXEKSEAQZGACDW-UHFFFAOYSA-N 1 2 367.496 2.822 20 30 FFEDLO C=CC[N@H+](Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S)C1CC1 ZINC000771640489 737744215 /nfs/dbraw/zinc/74/42/15/737744215.db2.gz GXEKSEAQZGACDW-UHFFFAOYSA-N 1 2 367.496 2.822 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(I)ccc1C ZINC000774217553 737969949 /nfs/dbraw/zinc/96/99/49/737969949.db2.gz XVTIVVXAEDUITR-AWEZNQCLSA-N 1 2 368.218 2.636 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(I)ccc1C ZINC000774217553 737969953 /nfs/dbraw/zinc/96/99/53/737969953.db2.gz XVTIVVXAEDUITR-AWEZNQCLSA-N 1 2 368.218 2.636 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000787715402 739162048 /nfs/dbraw/zinc/16/20/48/739162048.db2.gz FCXCEXPESSMNTE-KGLIPLIRSA-N 1 2 365.296 2.810 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000787715402 739162049 /nfs/dbraw/zinc/16/20/49/739162049.db2.gz FCXCEXPESSMNTE-KGLIPLIRSA-N 1 2 365.296 2.810 20 30 FFEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000931145134 739218568 /nfs/dbraw/zinc/21/85/68/739218568.db2.gz CLNGPPMXNOTLLR-UHFFFAOYSA-N 1 2 360.763 2.757 20 30 FFEDLO NC(=[NH+]OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000789586538 739370907 /nfs/dbraw/zinc/37/09/07/739370907.db2.gz DMMNIFLMVHKNCH-UHFFFAOYSA-N 1 2 350.718 2.994 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCc2cc(Br)c(F)cc2C1 ZINC000932789138 739518940 /nfs/dbraw/zinc/51/89/40/739518940.db2.gz BRALLKPKMSGLPE-UHFFFAOYSA-N 1 2 368.250 2.708 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@H+]1CCc2cc(Br)c(F)cc2C1 ZINC000932789138 739518945 /nfs/dbraw/zinc/51/89/45/739518945.db2.gz BRALLKPKMSGLPE-UHFFFAOYSA-N 1 2 368.250 2.708 20 30 FFEDLO N#C[C@]12C[N@H+](C3c4ccccc4-c4ccccc43)C[C@H]1CS(=O)(=O)C2 ZINC000932961672 739547129 /nfs/dbraw/zinc/54/71/29/739547129.db2.gz GCYGCTSJURXVTJ-VBKZILBWSA-N 1 2 350.443 2.627 20 30 FFEDLO N#C[C@]12C[N@@H+](C3c4ccccc4-c4ccccc43)C[C@H]1CS(=O)(=O)C2 ZINC000932961672 739547131 /nfs/dbraw/zinc/54/71/31/739547131.db2.gz GCYGCTSJURXVTJ-VBKZILBWSA-N 1 2 350.443 2.627 20 30 FFEDLO COc1ccc(CN2CC[C@H]([N@H+](C)Cc3cc(C#N)cs3)C2=O)cc1 ZINC000933769972 739687593 /nfs/dbraw/zinc/68/75/93/739687593.db2.gz DMLYMKPOMWLKKS-SFHVURJKSA-N 1 2 355.463 2.861 20 30 FFEDLO COc1ccc(CN2CC[C@H]([N@@H+](C)Cc3cc(C#N)cs3)C2=O)cc1 ZINC000933769972 739687598 /nfs/dbraw/zinc/68/75/98/739687598.db2.gz DMLYMKPOMWLKKS-SFHVURJKSA-N 1 2 355.463 2.861 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000798274775 740318691 /nfs/dbraw/zinc/31/86/91/740318691.db2.gz KJMBBALCXHAFTC-GXTWGEPZSA-N 1 2 351.834 2.894 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@@H]12 ZINC000961996098 740640679 /nfs/dbraw/zinc/64/06/79/740640679.db2.gz RIOOOXRCCRVMAX-ZVIDVREXSA-N 1 2 359.297 2.723 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@@H]12 ZINC000961996098 740640685 /nfs/dbraw/zinc/64/06/85/740640685.db2.gz RIOOOXRCCRVMAX-ZVIDVREXSA-N 1 2 359.297 2.723 20 30 FFEDLO C=C(Br)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC000969034821 740728191 /nfs/dbraw/zinc/72/81/91/740728191.db2.gz PZRDENVGAHILSX-QLFBSQMISA-N 1 2 359.308 2.823 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC000969034821 740728194 /nfs/dbraw/zinc/72/81/94/740728194.db2.gz PZRDENVGAHILSX-QLFBSQMISA-N 1 2 359.308 2.823 20 30 FFEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC000972395604 740828811 /nfs/dbraw/zinc/82/88/11/740828811.db2.gz AWZLQPOAYHNZDG-OWCLPIDISA-N 1 2 364.287 2.626 20 30 FFEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC000972395604 740828815 /nfs/dbraw/zinc/82/88/15/740828815.db2.gz AWZLQPOAYHNZDG-OWCLPIDISA-N 1 2 364.287 2.626 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cnc(Cl)s2)C1 ZINC000972529934 740834353 /nfs/dbraw/zinc/83/43/53/740834353.db2.gz SIJCQXNBMUNALR-SNPRPXQTSA-N 1 2 369.918 2.810 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cnc(Cl)s2)C1 ZINC000972529934 740834358 /nfs/dbraw/zinc/83/43/58/740834358.db2.gz SIJCQXNBMUNALR-SNPRPXQTSA-N 1 2 369.918 2.810 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](Cc1nccs1)C2 ZINC000982068041 741189784 /nfs/dbraw/zinc/18/97/84/741189784.db2.gz YJLZULMBCLYJNH-RDJZCZTQSA-N 1 2 361.511 2.549 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](Cc1nccs1)C2 ZINC000982068041 741189785 /nfs/dbraw/zinc/18/97/85/741189785.db2.gz YJLZULMBCLYJNH-RDJZCZTQSA-N 1 2 361.511 2.549 20 30 FFEDLO C#C[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000812183654 741593603 /nfs/dbraw/zinc/59/36/03/741593603.db2.gz GJOYSGXQMJDPMD-BZSNNMDCSA-N 1 2 363.889 2.669 20 30 FFEDLO C#C[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000812183654 741593605 /nfs/dbraw/zinc/59/36/05/741593605.db2.gz GJOYSGXQMJDPMD-BZSNNMDCSA-N 1 2 363.889 2.669 20 30 FFEDLO CC(=[NH+]Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1N(C)C ZINC000812231380 741598745 /nfs/dbraw/zinc/59/87/45/741598745.db2.gz PDXHXVWEXDDSGE-UHFFFAOYSA-N 1 2 360.483 2.839 20 30 FFEDLO N#CCCOCCN1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000815009993 741881333 /nfs/dbraw/zinc/88/13/33/741881333.db2.gz ODEQHRBYUZDCCZ-UHFFFAOYSA-N 1 2 357.376 2.633 20 30 FFEDLO C=C(CO)C(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC000817062477 742084945 /nfs/dbraw/zinc/08/49/45/742084945.db2.gz JVEGHQWOZLQNLF-GOSISDBHSA-N 1 2 350.890 2.947 20 30 FFEDLO C=C(CO)C(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC000817062477 742084950 /nfs/dbraw/zinc/08/49/50/742084950.db2.gz JVEGHQWOZLQNLF-GOSISDBHSA-N 1 2 350.890 2.947 20 30 FFEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC001000943379 742099530 /nfs/dbraw/zinc/09/95/30/742099530.db2.gz YKHZLLHVEPCWCB-WBVHZDCISA-N 1 2 369.303 2.603 20 30 FFEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC001000943379 742099535 /nfs/dbraw/zinc/09/95/35/742099535.db2.gz YKHZLLHVEPCWCB-WBVHZDCISA-N 1 2 369.303 2.603 20 30 FFEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC001003675125 742212354 /nfs/dbraw/zinc/21/23/54/742212354.db2.gz ARTPENGOBLYABS-JKSUJKDBSA-N 1 2 364.287 2.674 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2nc(C)c(C)s2)C1 ZINC001008842604 742409966 /nfs/dbraw/zinc/40/99/66/742409966.db2.gz YTPGELFZNZRDKO-BQFCYCMXSA-N 1 2 363.527 2.822 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2nc(C)c(C)s2)C1 ZINC001008842604 742409967 /nfs/dbraw/zinc/40/99/67/742409967.db2.gz YTPGELFZNZRDKO-BQFCYCMXSA-N 1 2 363.527 2.822 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(Cc2cc(F)ccc2Cl)c1 ZINC000819752815 742428504 /nfs/dbraw/zinc/42/85/04/742428504.db2.gz VBOSXRZTTKCSEO-KRWDZBQOSA-N 1 2 360.820 2.760 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(Cc2cc(F)ccc2Cl)c1 ZINC000819752815 742428508 /nfs/dbraw/zinc/42/85/08/742428508.db2.gz VBOSXRZTTKCSEO-KRWDZBQOSA-N 1 2 360.820 2.760 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001014472421 742468146 /nfs/dbraw/zinc/46/81/46/742468146.db2.gz WBQQOAUZCRESGV-LESCRADOSA-N 1 2 364.873 2.717 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001014472421 742468150 /nfs/dbraw/zinc/46/81/50/742468150.db2.gz WBQQOAUZCRESGV-LESCRADOSA-N 1 2 364.873 2.717 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001015816959 742482370 /nfs/dbraw/zinc/48/23/70/742482370.db2.gz QXDFPAXWNIUNFB-BQFCYCMXSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001015816959 742482373 /nfs/dbraw/zinc/48/23/73/742482373.db2.gz QXDFPAXWNIUNFB-BQFCYCMXSA-N 1 2 363.889 2.797 20 30 FFEDLO C#C[C@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1ccc(Cl)cc1F ZINC000820754972 742545481 /nfs/dbraw/zinc/54/54/81/742545481.db2.gz FQPCDCPGHPLGTB-XNJGSVPQSA-N 1 2 367.852 2.562 20 30 FFEDLO C#C[C@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1ccc(Cl)cc1F ZINC000820754972 742545485 /nfs/dbraw/zinc/54/54/85/742545485.db2.gz FQPCDCPGHPLGTB-XNJGSVPQSA-N 1 2 367.852 2.562 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ncc(C)s1 ZINC001024701439 742734647 /nfs/dbraw/zinc/73/46/47/742734647.db2.gz CNHXAQOPIIGIRN-RYRKJORJSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ncc(C)s1 ZINC001024701439 742734650 /nfs/dbraw/zinc/73/46/50/742734650.db2.gz CNHXAQOPIIGIRN-RYRKJORJSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ncc(C)s2)C1 ZINC001027414968 742767710 /nfs/dbraw/zinc/76/77/10/742767710.db2.gz AGYGNFMSKMCQLF-BBWFWOEESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ncc(C)s2)C1 ZINC001027414968 742767715 /nfs/dbraw/zinc/76/77/15/742767715.db2.gz AGYGNFMSKMCQLF-BBWFWOEESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](CCOC2CCCCCC2)C1 ZINC001031088693 742840206 /nfs/dbraw/zinc/84/02/06/742840206.db2.gz HGOQJWOQQNXHEU-OALUTQOASA-N 1 2 350.503 2.507 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2csc(CCC)n2)C1 ZINC001033432023 742887385 /nfs/dbraw/zinc/88/73/85/742887385.db2.gz KBUYLEDXVWVFDB-ZACQAIPSSA-N 1 2 363.527 2.719 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2csc(CCC)n2)C1 ZINC001033432023 742887396 /nfs/dbraw/zinc/88/73/96/742887396.db2.gz KBUYLEDXVWVFDB-ZACQAIPSSA-N 1 2 363.527 2.719 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001033905247 742904839 /nfs/dbraw/zinc/90/48/39/742904839.db2.gz XYXFZXZETKBIBZ-ZNMIVQPWSA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001033905247 742904843 /nfs/dbraw/zinc/90/48/43/742904843.db2.gz XYXFZXZETKBIBZ-ZNMIVQPWSA-N 1 2 359.308 2.633 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001033960113 742908563 /nfs/dbraw/zinc/90/85/63/742908563.db2.gz MGTUYWLDISMLNP-ZACQAIPSSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001033960113 742908569 /nfs/dbraw/zinc/90/85/69/742908569.db2.gz MGTUYWLDISMLNP-ZACQAIPSSA-N 1 2 363.889 2.749 20 30 FFEDLO CC(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038278238 742966937 /nfs/dbraw/zinc/96/69/37/742966937.db2.gz WAQWHYNDZZOWKV-JLSDUUJJSA-N 1 2 361.511 2.761 20 30 FFEDLO CC(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038278238 742966941 /nfs/dbraw/zinc/96/69/41/742966941.db2.gz WAQWHYNDZZOWKV-JLSDUUJJSA-N 1 2 361.511 2.761 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000824861868 743166234 /nfs/dbraw/zinc/16/62/34/743166234.db2.gz QZZAFDLTJJHFBH-UHFFFAOYSA-N 1 2 354.353 2.575 20 30 FFEDLO C=C(Cl)C[C@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)C(=O)OCC ZINC000825146489 743218955 /nfs/dbraw/zinc/21/89/55/743218955.db2.gz FDNMCTSQMCYKBM-QWRGUYRKSA-N 1 2 367.755 2.567 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C/C(Cl)=C/Cl ZINC001045850801 743308393 /nfs/dbraw/zinc/30/83/93/743308393.db2.gz HQPVOJRUAUUXJT-XAGVHMKGSA-N 1 2 359.297 2.962 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C/C(Cl)=C/Cl ZINC001045850801 743308403 /nfs/dbraw/zinc/30/84/03/743308403.db2.gz HQPVOJRUAUUXJT-XAGVHMKGSA-N 1 2 359.297 2.962 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccncc2Cl)C1 ZINC001046320418 743316719 /nfs/dbraw/zinc/31/67/19/743316719.db2.gz TUJQJMNVEJOBIM-AYBZRNKSSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001046320418 743316726 /nfs/dbraw/zinc/31/67/26/743316726.db2.gz TUJQJMNVEJOBIM-AYBZRNKSSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001046631244 743332972 /nfs/dbraw/zinc/33/29/72/743332972.db2.gz CKQBTYOWNBWABB-FMEYXAORSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001046631244 743332983 /nfs/dbraw/zinc/33/29/83/743332983.db2.gz CKQBTYOWNBWABB-FMEYXAORSA-N 1 2 350.409 2.637 20 30 FFEDLO C[C@H]1CC[N@H+](Cc2nc(C#N)cs2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000835070453 745944501 /nfs/dbraw/zinc/94/45/01/745944501.db2.gz UUHVXHTZVNONSS-QWHCGFSZSA-N 1 2 350.488 2.997 20 30 FFEDLO C[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000835070453 745944502 /nfs/dbraw/zinc/94/45/02/745944502.db2.gz UUHVXHTZVNONSS-QWHCGFSZSA-N 1 2 350.488 2.997 20 30 FFEDLO CC([NH2+]Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)=C1CC1(F)F ZINC000841628709 747421880 /nfs/dbraw/zinc/42/18/80/747421880.db2.gz ARLQYXSJQPGMFR-NSHDSACASA-N 1 2 373.410 2.782 20 30 FFEDLO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000843425449 747833778 /nfs/dbraw/zinc/83/37/78/747833778.db2.gz OQKJHNAMZCYPIU-GOSISDBHSA-N 1 2 362.836 2.883 20 30 FFEDLO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000843425449 747833780 /nfs/dbraw/zinc/83/37/80/747833780.db2.gz OQKJHNAMZCYPIU-GOSISDBHSA-N 1 2 362.836 2.883 20 30 FFEDLO C#C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Br)cc1 ZINC000844145093 747977872 /nfs/dbraw/zinc/97/78/72/747977872.db2.gz SDGIDUBBHIABBU-CZUORRHYSA-N 1 2 358.239 2.699 20 30 FFEDLO C=CCn1c(C2CC2)nn(C[N@H+]2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)c1=S ZINC000844761889 748092247 /nfs/dbraw/zinc/09/22/47/748092247.db2.gz SKCWQYLABITSIH-LSDHHAIUSA-N 1 2 362.499 2.566 20 30 FFEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)c1=S ZINC000844761889 748092253 /nfs/dbraw/zinc/09/22/53/748092253.db2.gz SKCWQYLABITSIH-LSDHHAIUSA-N 1 2 362.499 2.566 20 30 FFEDLO C#C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000847028757 748601613 /nfs/dbraw/zinc/60/16/13/748601613.db2.gz KQIRHEISMKTNOV-CYBMUJFWSA-N 1 2 356.285 2.568 20 30 FFEDLO C#C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000847028757 748601617 /nfs/dbraw/zinc/60/16/17/748601617.db2.gz KQIRHEISMKTNOV-CYBMUJFWSA-N 1 2 356.285 2.568 20 30 FFEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(F)cc3Cl)C2=O)C1 ZINC000848493229 748940728 /nfs/dbraw/zinc/94/07/28/748940728.db2.gz KNOXJKZSDOPFPG-XIKOKIGWSA-N 1 2 363.820 2.549 20 30 FFEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(F)cc3Cl)C2=O)C1 ZINC000848493229 748940734 /nfs/dbraw/zinc/94/07/34/748940734.db2.gz KNOXJKZSDOPFPG-XIKOKIGWSA-N 1 2 363.820 2.549 20 30 FFEDLO C#C[C@H]1CCCN(c2nc(N3CCC[C@@H](C#C)C3)c3c([nH+]2)CCS3)C1 ZINC000848751902 749000284 /nfs/dbraw/zinc/00/02/84/749000284.db2.gz VXDQHPUTPQIYBG-CVEARBPZSA-N 1 2 352.507 2.824 20 30 FFEDLO COCCO[NH+]=Cc1cc(Br)cc(Br)c1N ZINC000390162917 845840727 /nfs/dbraw/zinc/84/07/27/845840727.db2.gz CRXWRVVYNZHVLS-UHFFFAOYSA-N 1 2 352.026 2.791 20 30 FFEDLO Cc1cc(C(=O)N2CC[C@H]3C[N@H+](CC#Cc4cccc(Cl)c4)C[C@H]32)on1 ZINC001075543802 970913505 /nfs/dbraw/zinc/91/35/05/970913505.db2.gz YBQQGIXSAXUQOY-FUHWJXTLSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4cccc(Cl)c4)C[C@H]32)on1 ZINC001075543802 970913512 /nfs/dbraw/zinc/91/35/12/970913512.db2.gz YBQQGIXSAXUQOY-FUHWJXTLSA-N 1 2 369.852 2.834 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104837635 970970781 /nfs/dbraw/zinc/97/07/81/970970781.db2.gz QQFYRWCDKSCCGZ-UAGQMJEPSA-N 1 2 358.486 2.902 20 30 FFEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)c1 ZINC000896359862 971456213 /nfs/dbraw/zinc/45/62/13/971456213.db2.gz AXLOSYJEKBCQSC-HNAYVOBHSA-N 1 2 367.453 2.787 20 30 FFEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)c1 ZINC000896359862 971456218 /nfs/dbraw/zinc/45/62/18/971456218.db2.gz AXLOSYJEKBCQSC-HNAYVOBHSA-N 1 2 367.453 2.787 20 30 FFEDLO Cc1[nH]ccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001095287970 1013095650 /nfs/dbraw/zinc/09/56/50/1013095650.db2.gz SFPVKPJTELFGKW-MNEFBYGVSA-N 1 2 352.413 2.869 20 30 FFEDLO Cc1[nH]ccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001095287970 1013095665 /nfs/dbraw/zinc/09/56/65/1013095665.db2.gz SFPVKPJTELFGKW-MNEFBYGVSA-N 1 2 352.413 2.869 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCc2cc(-c3ccco3)on2)cc1OC ZINC000195169931 971928600 /nfs/dbraw/zinc/92/86/00/971928600.db2.gz VRSRGYHGJQKERD-UHFFFAOYSA-N 1 2 357.366 2.983 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]21 ZINC000974728442 972149106 /nfs/dbraw/zinc/14/91/06/972149106.db2.gz OXJUQXWPDAAJHF-IAGOWNOFSA-N 1 2 366.465 2.528 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)[C@@H]2C1 ZINC000974757356 972164131 /nfs/dbraw/zinc/16/41/31/972164131.db2.gz PKPSQTRHITVQNC-IAGOWNOFSA-N 1 2 355.482 2.892 20 30 FFEDLO CC(C)NC(=O)c1ccccc1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026329178 972251389 /nfs/dbraw/zinc/25/13/89/972251389.db2.gz XRQFAPAGLWSSTR-UHFFFAOYSA-N 1 2 364.449 2.767 20 30 FFEDLO CC(C)NC(=O)c1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026329178 972251392 /nfs/dbraw/zinc/25/13/92/972251392.db2.gz XRQFAPAGLWSSTR-UHFFFAOYSA-N 1 2 364.449 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)c4occc4Cl)[C@H]3C2)cc1 ZINC001083184586 958818708 /nfs/dbraw/zinc/81/87/08/958818708.db2.gz BXMFQLRAKATISN-DLBZAZTESA-N 1 2 371.824 2.530 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)c4occc4Cl)[C@H]3C2)cc1 ZINC001083184586 958818721 /nfs/dbraw/zinc/81/87/21/958818721.db2.gz BXMFQLRAKATISN-DLBZAZTESA-N 1 2 371.824 2.530 20 30 FFEDLO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC(n2cc[nH+]c2)CC1 ZINC001167124241 960194303 /nfs/dbraw/zinc/19/43/03/960194303.db2.gz YNGMNGBKGTUDIG-UHFFFAOYSA-N 1 2 359.817 2.821 20 30 FFEDLO Cn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)c1 ZINC001095308642 1013240805 /nfs/dbraw/zinc/24/08/05/1013240805.db2.gz YEHQNXAYUJKTCI-AABGKKOBSA-N 1 2 351.425 2.551 20 30 FFEDLO Cn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)c1 ZINC001095308642 1013240811 /nfs/dbraw/zinc/24/08/11/1013240811.db2.gz YEHQNXAYUJKTCI-AABGKKOBSA-N 1 2 351.425 2.551 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](Cc3cccc4ncccc34)C[C@@]2(F)C1=O ZINC001275979409 1013251066 /nfs/dbraw/zinc/25/10/66/1013251066.db2.gz HNECWHZJUUCZCV-VQTJNVASSA-N 1 2 357.404 2.885 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](Cc3cccc4ncccc34)C[C@@]2(F)C1=O ZINC001275979409 1013251078 /nfs/dbraw/zinc/25/10/78/1013251078.db2.gz HNECWHZJUUCZCV-VQTJNVASSA-N 1 2 357.404 2.885 20 30 FFEDLO N#Cc1cc(F)cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)c1 ZINC001276005426 1013277107 /nfs/dbraw/zinc/27/71/07/1013277107.db2.gz VXJHFRHLLOTASA-HUUCEWRRSA-N 1 2 355.335 2.825 20 30 FFEDLO N#Cc1cc(F)cc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)c1 ZINC001276005426 1013277117 /nfs/dbraw/zinc/27/71/17/1013277117.db2.gz VXJHFRHLLOTASA-HUUCEWRRSA-N 1 2 355.335 2.825 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccccc2o1 ZINC001110177800 1013366428 /nfs/dbraw/zinc/36/64/28/1013366428.db2.gz INFSIHPVEOCSDG-PVAVHDDUSA-N 1 2 355.438 2.642 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccccc2o1 ZINC001110177800 1013366441 /nfs/dbraw/zinc/36/64/41/1013366441.db2.gz INFSIHPVEOCSDG-PVAVHDDUSA-N 1 2 355.438 2.642 20 30 FFEDLO C[N@H+](Cc1cnn(-c2ccccc2)c1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000126118454 963369847 /nfs/dbraw/zinc/36/98/47/963369847.db2.gz VDYCGFPLXDEAQF-OAQYLSRUSA-N 1 2 371.444 2.981 20 30 FFEDLO C[N@@H+](Cc1cnn(-c2ccccc2)c1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000126118454 963369857 /nfs/dbraw/zinc/36/98/57/963369857.db2.gz VDYCGFPLXDEAQF-OAQYLSRUSA-N 1 2 371.444 2.981 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1F ZINC001110182791 1013416778 /nfs/dbraw/zinc/41/67/78/1013416778.db2.gz AIMVNOLUABXTKR-IRWJRLHMSA-N 1 2 350.409 2.777 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1F ZINC001110182791 1013416784 /nfs/dbraw/zinc/41/67/84/1013416784.db2.gz AIMVNOLUABXTKR-IRWJRLHMSA-N 1 2 350.409 2.777 20 30 FFEDLO CCn1c[nH+]c2c1CCN(CC(=O)[C@H](C#N)c1nc3ccccc3s1)C2 ZINC000933256636 963764041 /nfs/dbraw/zinc/76/40/41/963764041.db2.gz FQIOYLPBYWXWJB-ZDUSSCGKSA-N 1 2 365.462 2.747 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC000971555254 964153001 /nfs/dbraw/zinc/15/30/01/964153001.db2.gz AXPGHJREWPGUFL-BBWFWOEESA-N 1 2 359.470 2.566 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC000971555254 964153008 /nfs/dbraw/zinc/15/30/08/964153008.db2.gz AXPGHJREWPGUFL-BBWFWOEESA-N 1 2 359.470 2.566 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)/C=C\c3ccc[nH]3)[C@@H]2C1 ZINC001075728722 964686749 /nfs/dbraw/zinc/68/67/49/964686749.db2.gz JAWLAGUYFBFTFN-FRWFVBGZSA-N 1 2 364.424 2.772 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)/C=C\c3ccc[nH]3)[C@@H]2C1 ZINC001075728722 964686754 /nfs/dbraw/zinc/68/67/54/964686754.db2.gz JAWLAGUYFBFTFN-FRWFVBGZSA-N 1 2 364.424 2.772 20 30 FFEDLO CC1(C)OCC[C@H]1NN=Cc1ccc(C=[NH+]N[C@@H]2CCOC2(C)C)cc1 ZINC000835016435 965124391 /nfs/dbraw/zinc/12/43/91/965124391.db2.gz ZHGJTZGMGGXABS-QZTJIDSGSA-N 1 2 358.486 2.669 20 30 FFEDLO O=C([C@H]1CC12CCCC2)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083239865 966154762 /nfs/dbraw/zinc/15/47/62/966154762.db2.gz GCKSSVXXYAPBTM-QHAWAJNXSA-N 1 2 364.489 2.530 20 30 FFEDLO O=C([C@H]1CC12CCCC2)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083239865 966154772 /nfs/dbraw/zinc/15/47/72/966154772.db2.gz GCKSSVXXYAPBTM-QHAWAJNXSA-N 1 2 364.489 2.530 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC45CCCC5)[C@H]3C2)s1 ZINC001083239741 966155179 /nfs/dbraw/zinc/15/51/79/966155179.db2.gz AMJLRNVZLQSOAD-FGTMMUONSA-N 1 2 371.506 2.612 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC45CCCC5)[C@H]3C2)s1 ZINC001083239741 966155188 /nfs/dbraw/zinc/15/51/88/966155188.db2.gz AMJLRNVZLQSOAD-FGTMMUONSA-N 1 2 371.506 2.612 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000684803796 966341639 /nfs/dbraw/zinc/34/16/39/966341639.db2.gz SSBXVGAKYKWVFN-HBFSDRIKSA-N 1 2 368.481 2.984 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000684803794 966341664 /nfs/dbraw/zinc/34/16/64/966341664.db2.gz SSBXVGAKYKWVFN-GGPKGHCWSA-N 1 2 368.481 2.984 20 30 FFEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000135043409 966391859 /nfs/dbraw/zinc/39/18/59/966391859.db2.gz AKIWESRLCWSPMX-QGZVFWFLSA-N 1 2 373.928 2.756 20 30 FFEDLO N#Cc1ccccc1C[NH+]1CC2(C1)CCN(C(=O)Cc1ccsc1)C2 ZINC001279233352 966625577 /nfs/dbraw/zinc/62/55/77/966625577.db2.gz POJCIZWDJWVNNH-UHFFFAOYSA-N 1 2 351.475 2.897 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cncs2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001087513199 967538396 /nfs/dbraw/zinc/53/83/96/967538396.db2.gz GJBQOCOFGMQBCZ-DLBZAZTESA-N 1 2 357.454 2.917 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cncs2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001087513199 967538403 /nfs/dbraw/zinc/53/84/03/967538403.db2.gz GJBQOCOFGMQBCZ-DLBZAZTESA-N 1 2 357.454 2.917 20 30 FFEDLO CC#CC[C@@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1 ZINC000895102607 967598918 /nfs/dbraw/zinc/59/89/18/967598918.db2.gz CQCJNZVHCZJJHO-HNNXBMFYSA-N 1 2 373.478 2.700 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cnn(CC)c2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087524585 967655069 /nfs/dbraw/zinc/65/50/69/967655069.db2.gz AVZIAKFVZSZNNQ-RBUKOAKNSA-N 1 2 369.444 2.697 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cnn(CC)c2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087524585 967655075 /nfs/dbraw/zinc/65/50/75/967655075.db2.gz AVZIAKFVZSZNNQ-RBUKOAKNSA-N 1 2 369.444 2.697 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c3noc(C)n3)C2)cc1 ZINC001104476600 967658609 /nfs/dbraw/zinc/65/86/09/967658609.db2.gz DZBQHPGHRUOZHO-ZRGWGRIASA-N 1 2 366.465 2.808 20 30 FFEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)C2)C1 ZINC000972546645 967684597 /nfs/dbraw/zinc/68/45/97/967684597.db2.gz RELIMYMAFBYPHY-STXHMFSFSA-N 1 2 362.420 2.558 20 30 FFEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)C2)C1 ZINC000972546645 967684601 /nfs/dbraw/zinc/68/46/01/967684601.db2.gz RELIMYMAFBYPHY-STXHMFSFSA-N 1 2 362.420 2.558 20 30 FFEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCC[C@H](C3CC3)C2)nc[nH+]1 ZINC000329629796 967893951 /nfs/dbraw/zinc/89/39/51/967893951.db2.gz VGBGWFFKXBAHOT-JKSUJKDBSA-N 1 2 358.490 2.523 20 30 FFEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCC[C@H](C3CC3)C2)[nH+]cn1 ZINC000329629796 967893963 /nfs/dbraw/zinc/89/39/63/967893963.db2.gz VGBGWFFKXBAHOT-JKSUJKDBSA-N 1 2 358.490 2.523 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCCO2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087542733 967988511 /nfs/dbraw/zinc/98/85/11/967988511.db2.gz AYCIGOFUQGJAAG-IPMKNSEASA-N 1 2 359.445 2.736 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCCO2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087542733 967988516 /nfs/dbraw/zinc/98/85/16/967988516.db2.gz AYCIGOFUQGJAAG-IPMKNSEASA-N 1 2 359.445 2.736 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2coc(CC)n2)[C@H]1CC ZINC001087548051 968040569 /nfs/dbraw/zinc/04/05/69/968040569.db2.gz AAWXWGZJAPBIAN-WCQYABFASA-N 1 2 356.264 2.728 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2coc(CC)n2)[C@H]1CC ZINC001087548051 968040578 /nfs/dbraw/zinc/04/05/78/968040578.db2.gz AAWXWGZJAPBIAN-WCQYABFASA-N 1 2 356.264 2.728 20 30 FFEDLO C=CCn1c(COC)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000685550986 968289114 /nfs/dbraw/zinc/28/91/14/968289114.db2.gz IIYLNLKONFYYSA-UHFFFAOYSA-N 1 2 370.501 2.748 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cccnc2C)[C@H]1CC ZINC001087707143 968679307 /nfs/dbraw/zinc/67/93/07/968679307.db2.gz DVESFQSPPCWMGG-LSDHHAIUSA-N 1 2 352.276 2.881 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cccnc2C)[C@H]1CC ZINC001087707143 968679313 /nfs/dbraw/zinc/67/93/13/968679313.db2.gz DVESFQSPPCWMGG-LSDHHAIUSA-N 1 2 352.276 2.881 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2conc2C)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001087710500 968687832 /nfs/dbraw/zinc/68/78/32/968687832.db2.gz CWJBCXOCDPLIQI-ZWKOTPCHSA-N 1 2 356.401 2.777 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2conc2C)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001087710500 968687838 /nfs/dbraw/zinc/68/78/38/968687838.db2.gz CWJBCXOCDPLIQI-ZWKOTPCHSA-N 1 2 356.401 2.777 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cc(C)nn2CC)[C@H]1CC ZINC001087737908 968807009 /nfs/dbraw/zinc/80/70/09/968807009.db2.gz WBUHBRIPXICUTR-UONOGXRCSA-N 1 2 369.307 2.703 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)nn2CC)[C@H]1CC ZINC001087737908 968807019 /nfs/dbraw/zinc/80/70/19/968807019.db2.gz WBUHBRIPXICUTR-UONOGXRCSA-N 1 2 369.307 2.703 20 30 FFEDLO N#Cc1ccc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)c(CO)c1 ZINC000892486092 969105403 /nfs/dbraw/zinc/10/54/03/969105403.db2.gz RKLYJOGQXCXOLR-FQEVSTJZSA-N 1 2 371.868 2.560 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cn1 ZINC001024707369 969267660 /nfs/dbraw/zinc/26/76/60/969267660.db2.gz MLSLIGBEPCFWPR-FHWLQOOXSA-N 1 2 361.461 2.673 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cn1 ZINC001024707369 969267670 /nfs/dbraw/zinc/26/76/70/969267670.db2.gz MLSLIGBEPCFWPR-FHWLQOOXSA-N 1 2 361.461 2.673 20 30 FFEDLO Cc1conc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001098168492 969911169 /nfs/dbraw/zinc/91/11/69/969911169.db2.gz JBKZHGLHGNPWNM-OIISXLGYSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1conc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001098168492 969911174 /nfs/dbraw/zinc/91/11/74/969911174.db2.gz JBKZHGLHGNPWNM-OIISXLGYSA-N 1 2 354.385 2.529 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C(C)C)o3)[C@@H]2CC)nc1 ZINC001087802279 970300957 /nfs/dbraw/zinc/30/09/57/970300957.db2.gz HNECCLFYFGTUTI-FUHWJXTLSA-N 1 2 366.465 2.957 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C(C)C)o3)[C@@H]2CC)nc1 ZINC001087802279 970300963 /nfs/dbraw/zinc/30/09/63/970300963.db2.gz HNECCLFYFGTUTI-FUHWJXTLSA-N 1 2 366.465 2.957 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C(C)C)n3)[C@@H]2CC)nc1 ZINC001087802534 970302960 /nfs/dbraw/zinc/30/29/60/970302960.db2.gz VXOSSVACDXEABN-AZUAARDMSA-N 1 2 365.481 2.623 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccn(C(C)C)n3)[C@@H]2CC)nc1 ZINC001087802534 970302972 /nfs/dbraw/zinc/30/29/72/970302972.db2.gz VXOSSVACDXEABN-AZUAARDMSA-N 1 2 365.481 2.623 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncoc3C(C)C)[C@@H]2CC)cn1 ZINC001087802931 970303260 /nfs/dbraw/zinc/30/32/60/970303260.db2.gz RZRLFGPLSIIUTP-PKOBYXMFSA-N 1 2 366.465 2.957 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncoc3C(C)C)[C@@H]2CC)cn1 ZINC001087802931 970303269 /nfs/dbraw/zinc/30/32/69/970303269.db2.gz RZRLFGPLSIIUTP-PKOBYXMFSA-N 1 2 366.465 2.957 20 30 FFEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH+]3CC(CC#N)C3)o2)CC1 ZINC000895343632 970430253 /nfs/dbraw/zinc/43/02/53/970430253.db2.gz IEUOJKOZZWYSFS-UHFFFAOYSA-N 1 2 360.458 2.682 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCc1cn(C(C)(C)C)c(=O)[nH]c1=O ZINC000895485937 970673513 /nfs/dbraw/zinc/67/35/13/970673513.db2.gz NXCUQFNCNVAPQF-UHFFFAOYSA-N 1 2 356.426 2.503 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(CC)s4)CC[C@@H]3C2)C1 ZINC001088098362 972774449 /nfs/dbraw/zinc/77/44/49/972774449.db2.gz FZYXBAIDMXZOCZ-CABCVRRESA-N 1 2 360.527 2.737 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(CC)s4)CC[C@@H]3C2)C1 ZINC001088098362 972774458 /nfs/dbraw/zinc/77/44/58/972774458.db2.gz FZYXBAIDMXZOCZ-CABCVRRESA-N 1 2 360.527 2.737 20 30 FFEDLO N#Cc1csc(CNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)n1 ZINC000897289273 974009447 /nfs/dbraw/zinc/00/94/47/974009447.db2.gz ONIXRMLAQPVOOS-DAXSKMNVSA-N 1 2 367.478 2.555 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2CC)C1 ZINC000985428405 974066058 /nfs/dbraw/zinc/06/60/58/974066058.db2.gz WYIHQISVXCCIEW-IXDOHACOSA-N 1 2 358.486 2.686 20 30 FFEDLO Cc1ncsc1C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001075578091 975319832 /nfs/dbraw/zinc/31/98/32/975319832.db2.gz IJMNLTVNIVQQNG-FUHWJXTLSA-N 1 2 369.465 2.789 20 30 FFEDLO Cc1ncsc1C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001075578091 975319838 /nfs/dbraw/zinc/31/98/38/975319838.db2.gz IJMNLTVNIVQQNG-FUHWJXTLSA-N 1 2 369.465 2.789 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccn3ccnc3c2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088742865 975691278 /nfs/dbraw/zinc/69/12/78/975691278.db2.gz POOKJKRMGJVYBH-BEFAXECRSA-N 1 2 359.433 2.599 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccn3ccnc3c2)CC[N@H+]1Cc1ccccc1C#N ZINC001088742865 975691285 /nfs/dbraw/zinc/69/12/85/975691285.db2.gz POOKJKRMGJVYBH-BEFAXECRSA-N 1 2 359.433 2.599 20 30 FFEDLO CC(C)n1cnc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)c1 ZINC001088771746 976084827 /nfs/dbraw/zinc/08/48/27/976084827.db2.gz WUSXXUPQFAZWMB-KDOFPFPSSA-N 1 2 369.444 2.868 20 30 FFEDLO CC(C)n1cnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)c1 ZINC001088771746 976084839 /nfs/dbraw/zinc/08/48/39/976084839.db2.gz WUSXXUPQFAZWMB-KDOFPFPSSA-N 1 2 369.444 2.868 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2onc3c2CCCC3)C1 ZINC001087432296 976121215 /nfs/dbraw/zinc/12/12/15/976121215.db2.gz HLPDCTANZNMLFO-YLJYHZDGSA-N 1 2 363.461 2.775 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2onc3c2CCCC3)C1 ZINC001087432296 976121220 /nfs/dbraw/zinc/12/12/20/976121220.db2.gz HLPDCTANZNMLFO-YLJYHZDGSA-N 1 2 363.461 2.775 20 30 FFEDLO CCCc1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)[nH]n1 ZINC001088784910 976199897 /nfs/dbraw/zinc/19/98/97/976199897.db2.gz AUJOVXXTRIGZSV-ACJLOTCBSA-N 1 2 369.444 2.766 20 30 FFEDLO CCCc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)[nH]n1 ZINC001088784910 976199904 /nfs/dbraw/zinc/19/99/04/976199904.db2.gz AUJOVXXTRIGZSV-ACJLOTCBSA-N 1 2 369.444 2.766 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC001028147246 976895336 /nfs/dbraw/zinc/89/53/36/976895336.db2.gz RTTLIYBEJGUKEE-OAGGEKHMSA-N 1 2 361.486 2.644 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC001028147246 976895348 /nfs/dbraw/zinc/89/53/48/976895348.db2.gz RTTLIYBEJGUKEE-OAGGEKHMSA-N 1 2 361.486 2.644 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1nc(C)oc1C ZINC001028192415 977080657 /nfs/dbraw/zinc/08/06/57/977080657.db2.gz JMDOTGWIFKXNTP-AOIWGVFYSA-N 1 2 361.486 2.743 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1nc(C)oc1C ZINC001028192415 977080666 /nfs/dbraw/zinc/08/06/66/977080666.db2.gz JMDOTGWIFKXNTP-AOIWGVFYSA-N 1 2 361.486 2.743 20 30 FFEDLO Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCN(C(=O)[C@@H](C)C#N)[C@@H]4C3)co2)cc1 ZINC001075616033 977314560 /nfs/dbraw/zinc/31/45/60/977314560.db2.gz HDJDHBCYZAQYBA-VDZJLULYSA-N 1 2 364.449 2.842 20 30 FFEDLO Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCN(C(=O)[C@@H](C)C#N)[C@@H]4C3)co2)cc1 ZINC001075616033 977314564 /nfs/dbraw/zinc/31/45/64/977314564.db2.gz HDJDHBCYZAQYBA-VDZJLULYSA-N 1 2 364.449 2.842 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@@H]2c2cccc(F)c2)[nH]1 ZINC001087454292 977759908 /nfs/dbraw/zinc/75/99/08/977759908.db2.gz MISMSAMSPZUBIJ-SJLPKXTDSA-N 1 2 358.392 2.583 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@@H]2c2cccc(F)c2)[nH]1 ZINC001087454292 977759916 /nfs/dbraw/zinc/75/99/16/977759916.db2.gz MISMSAMSPZUBIJ-SJLPKXTDSA-N 1 2 358.392 2.583 20 30 FFEDLO Cc1ccc(N2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)cc1C ZINC000126265047 978046831 /nfs/dbraw/zinc/04/68/31/978046831.db2.gz PPQZTEYYAQREAP-WIYYLYMNSA-N 1 2 356.514 2.868 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@H+](Cc4csc(C5CC5)n4)C[C@H]32)c1 ZINC001075658401 978150245 /nfs/dbraw/zinc/15/02/45/978150245.db2.gz ATFQLMFGFGNVGC-WMLDXEAASA-N 1 2 367.478 2.567 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](Cc4csc(C5CC5)n4)C[C@H]32)c1 ZINC001075658401 978150246 /nfs/dbraw/zinc/15/02/46/978150246.db2.gz ATFQLMFGFGNVGC-WMLDXEAASA-N 1 2 367.478 2.567 20 30 FFEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH2+]CC3(C#N)CC3)o2)CC1 ZINC000894205969 978174456 /nfs/dbraw/zinc/17/44/56/978174456.db2.gz ZVJBIOGIQYTHTE-UHFFFAOYSA-N 1 2 360.458 2.730 20 30 FFEDLO CO[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21)C1CCC1 ZINC001076095078 979109931 /nfs/dbraw/zinc/10/99/31/979109931.db2.gz UYXKSJFXFZTEHY-PWIZWCRZSA-N 1 2 371.456 2.545 20 30 FFEDLO CO[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21)C1CCC1 ZINC001076095078 979109948 /nfs/dbraw/zinc/10/99/48/979109948.db2.gz UYXKSJFXFZTEHY-PWIZWCRZSA-N 1 2 371.456 2.545 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C(F)(F)F)[C@@H]2C1 ZINC001076130228 979136254 /nfs/dbraw/zinc/13/62/54/979136254.db2.gz RZEGIKCIRBYPFB-GARJFASQSA-N 1 2 355.198 2.626 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C(F)(F)F)[C@@H]2C1 ZINC001076130228 979136256 /nfs/dbraw/zinc/13/62/56/979136256.db2.gz RZEGIKCIRBYPFB-GARJFASQSA-N 1 2 355.198 2.626 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cc5n(n4)CCC5)C[C@H]32)CC1 ZINC001076209086 979228633 /nfs/dbraw/zinc/22/86/33/979228633.db2.gz YKOOXXZAXSGDTF-FXAWDEMLSA-N 1 2 354.498 2.608 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc5n(n4)CCC5)C[C@H]32)CC1 ZINC001076209086 979228638 /nfs/dbraw/zinc/22/86/38/979228638.db2.gz YKOOXXZAXSGDTF-FXAWDEMLSA-N 1 2 354.498 2.608 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4nccs4)[C@@H]3C2)c(F)c1 ZINC001076390555 979448197 /nfs/dbraw/zinc/44/81/97/979448197.db2.gz CUAONKBTRFKLPK-GOEBONIOSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4nccs4)[C@@H]3C2)c(F)c1 ZINC001076390555 979448203 /nfs/dbraw/zinc/44/82/03/979448203.db2.gz CUAONKBTRFKLPK-GOEBONIOSA-N 1 2 356.426 2.500 20 30 FFEDLO Cc1cnc(C(=O)N[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)[C@@H]2C)cn1 ZINC001088454537 979676431 /nfs/dbraw/zinc/67/64/31/979676431.db2.gz TUULXIZBTDCJPK-QAPCUYQASA-N 1 2 368.868 2.683 20 30 FFEDLO Cc1cnc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)[C@@H]2C)cn1 ZINC001088454537 979676432 /nfs/dbraw/zinc/67/64/32/979676432.db2.gz TUULXIZBTDCJPK-QAPCUYQASA-N 1 2 368.868 2.683 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088463287 979711139 /nfs/dbraw/zinc/71/11/39/979711139.db2.gz NCXHEVFZNWAMFC-PXAZEXFGSA-N 1 2 356.401 2.695 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088463287 979711142 /nfs/dbraw/zinc/71/11/42/979711142.db2.gz NCXHEVFZNWAMFC-PXAZEXFGSA-N 1 2 356.401 2.695 20 30 FFEDLO CCOC(=O)Cn1cc(C[N@@H+]2CC[C@](C)(C#N)C2)c(-c2ccccc2)n1 ZINC000877637401 1014654606 /nfs/dbraw/zinc/65/46/06/1014654606.db2.gz UIGBYHLZSCYGAQ-HXUWFJFHSA-N 1 2 352.438 2.849 20 30 FFEDLO CCOC(=O)Cn1cc(C[N@H+]2CC[C@](C)(C#N)C2)c(-c2ccccc2)n1 ZINC000877637401 1014654615 /nfs/dbraw/zinc/65/46/15/1014654615.db2.gz UIGBYHLZSCYGAQ-HXUWFJFHSA-N 1 2 352.438 2.849 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1nc2ccc(F)cc2o1 ZINC001088522870 980423616 /nfs/dbraw/zinc/42/36/16/980423616.db2.gz HQOONADIWXGSON-RISCZKNCSA-N 1 2 367.384 2.559 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1nc2ccc(F)cc2o1 ZINC001088522870 980423618 /nfs/dbraw/zinc/42/36/18/980423618.db2.gz HQOONADIWXGSON-RISCZKNCSA-N 1 2 367.384 2.559 20 30 FFEDLO C=CCOCCCNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000666523510 980944764 /nfs/dbraw/zinc/94/47/64/980944764.db2.gz UIOBASGQVKSKKF-KRWDZBQOSA-N 1 2 361.486 2.676 20 30 FFEDLO Cc1cc(C)c(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)[nH+]1 ZINC000907270301 981217553 /nfs/dbraw/zinc/21/75/53/981217553.db2.gz NWXDITVSWLBIFT-GOSISDBHSA-N 1 2 362.433 2.804 20 30 FFEDLO COc1ccc(C[C@H]([NH3+])c2nc(-c3cc(F)cc(C#N)c3)no2)c(O)c1 ZINC001211951395 981242215 /nfs/dbraw/zinc/24/22/15/981242215.db2.gz DMUVULNKFSKTIX-HNNXBMFYSA-N 1 2 354.341 2.704 20 30 FFEDLO CC(C)n1nccc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088592055 981344085 /nfs/dbraw/zinc/34/40/85/981344085.db2.gz MGMYEIRZSRPFOI-KDOFPFPSSA-N 1 2 369.444 2.868 20 30 FFEDLO CC(C)n1nccc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088592055 981344086 /nfs/dbraw/zinc/34/40/86/981344086.db2.gz MGMYEIRZSRPFOI-KDOFPFPSSA-N 1 2 369.444 2.868 20 30 FFEDLO Cc1cn(C(C)(C)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c[nH+]1 ZINC000897504926 981349397 /nfs/dbraw/zinc/34/93/97/981349397.db2.gz LLLPTFLXYHBYTR-UHFFFAOYSA-N 1 2 367.453 2.700 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2c(F)cncc2F)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088596092 981376138 /nfs/dbraw/zinc/37/61/38/981376138.db2.gz HHPNVVMDQOLPSP-KDOFPFPSSA-N 1 2 355.388 2.604 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2c(F)cncc2F)CC[N@H+]1CC#Cc1ccccc1 ZINC001088596092 981376143 /nfs/dbraw/zinc/37/61/43/981376143.db2.gz HHPNVVMDQOLPSP-KDOFPFPSSA-N 1 2 355.388 2.604 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3CCCCCCC3)[C@@H](O)C2)s1 ZINC001083628981 981709367 /nfs/dbraw/zinc/70/93/67/981709367.db2.gz WUUDBOGUIIKZQM-MSOLQXFVSA-N 1 2 361.511 2.642 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C3CCCCCCC3)[C@@H](O)C2)s1 ZINC001083628981 981709368 /nfs/dbraw/zinc/70/93/68/981709368.db2.gz WUUDBOGUIIKZQM-MSOLQXFVSA-N 1 2 361.511 2.642 20 30 FFEDLO CC(=O)[C@](C#N)(CC[NH+]1CCN(c2cc(C)ccn2)CC1)c1ccccc1 ZINC000878198989 1014909418 /nfs/dbraw/zinc/90/94/18/1014909418.db2.gz WITMOHXISDTGRN-JOCHJYFZSA-N 1 2 362.477 2.953 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[NH+]1CCN(c2cc(C)ccn2)CC1)c1ccccc1 ZINC000878198990 1014910907 /nfs/dbraw/zinc/91/09/07/1014910907.db2.gz WITMOHXISDTGRN-QFIPXVFZSA-N 1 2 362.477 2.953 20 30 FFEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000878387895 1015020636 /nfs/dbraw/zinc/02/06/36/1015020636.db2.gz FWSUYLRLSXKGRN-DOTOQJQBSA-N 1 2 374.485 2.836 20 30 FFEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000878387895 1015020651 /nfs/dbraw/zinc/02/06/51/1015020651.db2.gz FWSUYLRLSXKGRN-DOTOQJQBSA-N 1 2 374.485 2.836 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@]2(CNC(=O)C(=O)C(C)(C)C)CCC[C@@H]12 ZINC001107334554 984453595 /nfs/dbraw/zinc/45/35/95/984453595.db2.gz KOALMUGTCMYYKH-CXAGYDPISA-N 1 2 371.319 2.871 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@]2(CNC(=O)C(=O)C(C)(C)C)CCC[C@@H]12 ZINC001107334554 984453598 /nfs/dbraw/zinc/45/35/98/984453598.db2.gz KOALMUGTCMYYKH-CXAGYDPISA-N 1 2 371.319 2.871 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](Cc2ccc3ncccc3c2)C1 ZINC001030333811 984697858 /nfs/dbraw/zinc/69/78/58/984697858.db2.gz KTIHNJGGGWWSPS-QUCCMNQESA-N 1 2 351.450 2.516 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2csc(CCC)n2)[C@@H]1C ZINC001088868069 985166442 /nfs/dbraw/zinc/16/64/42/985166442.db2.gz IMNRUVDWBRZGBZ-SIXLDLHFSA-N 1 2 363.527 2.766 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2csc(CCC)n2)[C@@H]1C ZINC001088868069 985166446 /nfs/dbraw/zinc/16/64/46/985166446.db2.gz IMNRUVDWBRZGBZ-SIXLDLHFSA-N 1 2 363.527 2.766 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cncc(F)c3)[C@@H]2C)cc1 ZINC001088906427 985413467 /nfs/dbraw/zinc/41/34/67/985413467.db2.gz VONJZPGRLZHTGB-QRWLVFNGSA-N 1 2 367.424 2.626 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cncc(F)c3)[C@@H]2C)cc1 ZINC001088906427 985413472 /nfs/dbraw/zinc/41/34/72/985413472.db2.gz VONJZPGRLZHTGB-QRWLVFNGSA-N 1 2 367.424 2.626 20 30 FFEDLO CCn1ncc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)c1C ZINC001088937163 985519755 /nfs/dbraw/zinc/51/97/55/985519755.db2.gz XQDFRUBYJPCENF-KUHUBIRLSA-N 1 2 369.444 2.615 20 30 FFEDLO CCn1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)c1C ZINC001088937163 985519761 /nfs/dbraw/zinc/51/97/61/985519761.db2.gz XQDFRUBYJPCENF-KUHUBIRLSA-N 1 2 369.444 2.615 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3[nH+]ccn31)C2 ZINC000998316684 986058334 /nfs/dbraw/zinc/05/83/34/986058334.db2.gz QJEXNFVKCWAFTG-JXSLOMFPSA-N 1 2 366.465 2.798 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c3ncccc23)[C@H]1C ZINC001089047992 986105083 /nfs/dbraw/zinc/10/50/83/986105083.db2.gz MRGYJDTWXPXKPC-RISCZKNCSA-N 1 2 363.259 2.664 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3ncccc23)[C@H]1C ZINC001089047992 986105085 /nfs/dbraw/zinc/10/50/85/986105085.db2.gz MRGYJDTWXPXKPC-RISCZKNCSA-N 1 2 363.259 2.664 20 30 FFEDLO C#CCOc1ccc(CNc2ccc[nH+]c2N2CCC(CO)CC2)cc1 ZINC000091064767 986124585 /nfs/dbraw/zinc/12/45/85/986124585.db2.gz RYMVCFNMMVCBCG-UHFFFAOYSA-N 1 2 351.450 2.914 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(F)c(NC(C)=O)c2)[C@H]1C ZINC001089070305 986192538 /nfs/dbraw/zinc/19/25/38/986192538.db2.gz XASVZJHBBMPQSP-ABAIWWIYSA-N 1 2 353.825 2.729 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)c(NC(C)=O)c2)[C@H]1C ZINC001089070305 986192546 /nfs/dbraw/zinc/19/25/46/986192546.db2.gz XASVZJHBBMPQSP-ABAIWWIYSA-N 1 2 353.825 2.729 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC001108027061 986958855 /nfs/dbraw/zinc/95/88/55/986958855.db2.gz LRTAHISSVVFSII-VYDXJSESSA-N 1 2 360.420 2.586 20 30 FFEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC001108027061 986958865 /nfs/dbraw/zinc/95/88/65/986958865.db2.gz LRTAHISSVVFSII-VYDXJSESSA-N 1 2 360.420 2.586 20 30 FFEDLO CC(C)Oc1ccc(CCNC(=O)CO[NH+]=C(N)c2ccc(F)cc2)cc1 ZINC000762666775 988567772 /nfs/dbraw/zinc/56/77/72/988567772.db2.gz XRVMBOGYYAYRKN-UHFFFAOYSA-N 1 2 373.428 2.609 20 30 FFEDLO Cc1cc(C)c(CNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c[nH+]1 ZINC000922783224 988900246 /nfs/dbraw/zinc/90/02/46/988900246.db2.gz MGBDLXVBOPUSJD-SFHVURJKSA-N 1 2 364.453 2.751 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCCCOc2cccc(C#N)c2)cc1OC ZINC000763179069 989182653 /nfs/dbraw/zinc/18/26/53/989182653.db2.gz KGITYQJYUNZMMP-UHFFFAOYSA-N 1 2 355.394 2.891 20 30 FFEDLO CN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033277711 989477886 /nfs/dbraw/zinc/47/78/86/989477886.db2.gz BMRIFIYGQCZMOV-TXJVSEOTSA-N 1 2 371.456 2.545 20 30 FFEDLO CN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033277711 989477891 /nfs/dbraw/zinc/47/78/91/989477891.db2.gz BMRIFIYGQCZMOV-TXJVSEOTSA-N 1 2 371.456 2.545 20 30 FFEDLO CCOc1ccc(NC(=S)N[NH+]=Cc2ccc(N(C)CCO)cc2)cc1 ZINC000915926771 989710005 /nfs/dbraw/zinc/71/00/05/989710005.db2.gz QHGBFCUEODXQHH-UHFFFAOYSA-N 1 2 372.494 2.834 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001034411377 990069704 /nfs/dbraw/zinc/06/97/04/990069704.db2.gz PUGDQIVYXSSGNH-WTGUMLROSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001034411377 990069715 /nfs/dbraw/zinc/06/97/15/990069715.db2.gz PUGDQIVYXSSGNH-WTGUMLROSA-N 1 2 371.456 2.736 20 30 FFEDLO CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C1 ZINC001212240707 990642201 /nfs/dbraw/zinc/64/22/01/990642201.db2.gz BCUOMQXPHVHYCN-GUDVDZBRSA-N 1 2 364.436 2.891 20 30 FFEDLO CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C1 ZINC001212240707 990642205 /nfs/dbraw/zinc/64/22/05/990642205.db2.gz BCUOMQXPHVHYCN-GUDVDZBRSA-N 1 2 364.436 2.891 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1([NH2+]Cc2ncc(-c3ccccc3)o2)CC1 ZINC001483768996 990663048 /nfs/dbraw/zinc/66/30/48/990663048.db2.gz WNORAVRMSNHUTH-SJORKVTESA-N 1 2 367.449 2.671 20 30 FFEDLO N#C[C@H](c1ccccc1)c1ccc(N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cc1 ZINC000804203336 990666563 /nfs/dbraw/zinc/66/65/63/990666563.db2.gz BMLXXFCQGIFLJQ-MOPGFXCFSA-N 1 2 371.400 2.733 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC001006016738 991015643 /nfs/dbraw/zinc/01/56/43/991015643.db2.gz RWPIRLSWAJDMKC-SJORKVTESA-N 1 2 359.470 2.566 20 30 FFEDLO Cn1cc([C@@H]2C[C@@H](C(=O)OC(C)(C)C)C[N@H+](C[C@@H](C#N)CCC#N)C2)cn1 ZINC000879607859 1015608854 /nfs/dbraw/zinc/60/88/54/1015608854.db2.gz ODZJSWGXJFMRAS-BRWVUGGUSA-N 1 2 371.485 2.611 20 30 FFEDLO Cn1cc([C@@H]2C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](C[C@@H](C#N)CCC#N)C2)cn1 ZINC000879607859 1015608857 /nfs/dbraw/zinc/60/88/57/1015608857.db2.gz ODZJSWGXJFMRAS-BRWVUGGUSA-N 1 2 371.485 2.611 20 30 FFEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CCN(c2cccc(F)c2C#N)C1 ZINC001063148967 991357053 /nfs/dbraw/zinc/35/70/53/991357053.db2.gz XYWZUZVNABSETR-RRFJBIMHSA-N 1 2 367.428 2.651 20 30 FFEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CCN(c2cccc(F)c2C#N)C1 ZINC001063148967 991357061 /nfs/dbraw/zinc/35/70/61/991357061.db2.gz XYWZUZVNABSETR-RRFJBIMHSA-N 1 2 367.428 2.651 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nccs1 ZINC001089698668 991420402 /nfs/dbraw/zinc/42/04/02/991420402.db2.gz BDJFPERQSMBDRR-XHSDSOJGSA-N 1 2 363.527 2.841 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nccs1 ZINC001089698668 991420407 /nfs/dbraw/zinc/42/04/07/991420407.db2.gz BDJFPERQSMBDRR-XHSDSOJGSA-N 1 2 363.527 2.841 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001063300379 991432629 /nfs/dbraw/zinc/43/26/29/991432629.db2.gz OGEWVCDBRFKTMG-LNLFQRSKSA-N 1 2 358.486 2.807 20 30 FFEDLO N#Cc1ccc(NCC[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1 ZINC001063303562 991437832 /nfs/dbraw/zinc/43/78/32/991437832.db2.gz SMJNZDHVGJHTRW-DJIMGWMZSA-N 1 2 364.453 2.521 20 30 FFEDLO N#Cc1ccc(NCC[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1 ZINC001063303562 991437838 /nfs/dbraw/zinc/43/78/38/991437838.db2.gz SMJNZDHVGJHTRW-DJIMGWMZSA-N 1 2 364.453 2.521 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879689858 1015640805 /nfs/dbraw/zinc/64/08/05/1015640805.db2.gz AGZCDWJAVXATFU-BEFAXECRSA-N 1 2 361.449 2.765 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879689858 1015640807 /nfs/dbraw/zinc/64/08/07/1015640807.db2.gz AGZCDWJAVXATFU-BEFAXECRSA-N 1 2 361.449 2.765 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)N(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001089748461 991513912 /nfs/dbraw/zinc/51/39/12/991513912.db2.gz ADPSXRHGSZWYCI-ZACQAIPSSA-N 1 2 360.502 2.831 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001065182890 991769480 /nfs/dbraw/zinc/76/94/80/991769480.db2.gz GAIJPXMMQSGWQI-LQWHRVPQSA-N 1 2 370.497 2.585 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001212346932 991892863 /nfs/dbraw/zinc/89/28/63/991892863.db2.gz JUOASOJPNBESBA-RTBURBONSA-N 1 2 360.885 2.863 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001212346932 991892871 /nfs/dbraw/zinc/89/28/71/991892871.db2.gz JUOASOJPNBESBA-RTBURBONSA-N 1 2 360.885 2.863 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079592747 992246507 /nfs/dbraw/zinc/24/65/07/992246507.db2.gz WQCZEAYUMSBMPJ-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Cl)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079592747 992246516 /nfs/dbraw/zinc/24/65/16/992246516.db2.gz WQCZEAYUMSBMPJ-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO Cc1nscc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001079597268 992247608 /nfs/dbraw/zinc/24/76/08/992247608.db2.gz KBCXDLDVZLTLBF-FZKQIMNGSA-N 1 2 357.454 2.692 20 30 FFEDLO Cc1nscc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001079597268 992247618 /nfs/dbraw/zinc/24/76/18/992247618.db2.gz KBCXDLDVZLTLBF-FZKQIMNGSA-N 1 2 357.454 2.692 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC001079717635 992356990 /nfs/dbraw/zinc/35/69/90/992356990.db2.gz SNXOHOQKDZSMDM-UTRMSSBJSA-N 1 2 362.901 2.996 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC001079717635 992356997 /nfs/dbraw/zinc/35/69/97/992356997.db2.gz SNXOHOQKDZSMDM-UTRMSSBJSA-N 1 2 362.901 2.996 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3nc(C)no3)C[C@H]2C)cc1 ZINC001079977791 992638269 /nfs/dbraw/zinc/63/82/69/992638269.db2.gz JNUVYTYWDQINPH-QWQRMKEZSA-N 1 2 370.453 2.754 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3nc(C)no3)C[C@H]2C)cc1 ZINC001079977791 992638275 /nfs/dbraw/zinc/63/82/75/992638275.db2.gz JNUVYTYWDQINPH-QWQRMKEZSA-N 1 2 370.453 2.754 20 30 FFEDLO COCc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)o1 ZINC001080087101 992719292 /nfs/dbraw/zinc/71/92/92/992719292.db2.gz KOFHVZXBLGLGIP-RDTXWAMCSA-N 1 2 353.422 2.548 20 30 FFEDLO COCc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)o1 ZINC001080087101 992719294 /nfs/dbraw/zinc/71/92/94/992719294.db2.gz KOFHVZXBLGLGIP-RDTXWAMCSA-N 1 2 353.422 2.548 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001008845723 1015729654 /nfs/dbraw/zinc/72/96/54/1015729654.db2.gz LLHXHXVFDVSRGI-RYRKJORJSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001008845723 1015729660 /nfs/dbraw/zinc/72/96/60/1015729660.db2.gz LLHXHXVFDVSRGI-RYRKJORJSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+]([C@H](C)c2nc3ccccc3o2)C1 ZINC001032048099 992789925 /nfs/dbraw/zinc/78/99/25/992789925.db2.gz UQJGMSWGIQZDAE-ALKREAHSSA-N 1 2 369.465 2.918 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000943336511 992983167 /nfs/dbraw/zinc/98/31/67/992983167.db2.gz KMTAAKXRFKNFGP-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000943336511 992983177 /nfs/dbraw/zinc/98/31/77/992983177.db2.gz KMTAAKXRFKNFGP-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000880090561 1015753259 /nfs/dbraw/zinc/75/32/59/1015753259.db2.gz LPAZGIPZFQHASD-HUUCEWRRSA-N 1 2 359.470 2.631 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000880090561 1015753264 /nfs/dbraw/zinc/75/32/64/1015753264.db2.gz LPAZGIPZFQHASD-HUUCEWRRSA-N 1 2 359.470 2.631 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1ncoc1C1CC1 ZINC001080723524 993330847 /nfs/dbraw/zinc/33/08/47/993330847.db2.gz GFZMBBUJSNALOG-SJKOYZFVSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1ncoc1C1CC1 ZINC001080723524 993330850 /nfs/dbraw/zinc/33/08/50/993330850.db2.gz GFZMBBUJSNALOG-SJKOYZFVSA-N 1 2 368.412 2.813 20 30 FFEDLO CCc1ncc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2C)s1 ZINC001081025936 993552718 /nfs/dbraw/zinc/55/27/18/993552718.db2.gz FDSUKLLOQYFBHB-BXUZGUMPSA-N 1 2 360.508 2.889 20 30 FFEDLO CCc1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2C)s1 ZINC001081025936 993552725 /nfs/dbraw/zinc/55/27/25/993552725.db2.gz FDSUKLLOQYFBHB-BXUZGUMPSA-N 1 2 360.508 2.889 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]Cc3cnsn3)C2)C1 ZINC001081176665 993736827 /nfs/dbraw/zinc/73/68/27/993736827.db2.gz DQHMTGUYCDYUQR-ZWKOTPCHSA-N 1 2 368.506 2.979 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)C1CCCC1 ZINC001081254690 993758513 /nfs/dbraw/zinc/75/85/13/993758513.db2.gz DSRNFLWXDQJEFE-RTBURBONSA-N 1 2 360.885 2.697 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)C1CCCC1 ZINC001081254690 993758520 /nfs/dbraw/zinc/75/85/20/993758520.db2.gz DSRNFLWXDQJEFE-RTBURBONSA-N 1 2 360.885 2.697 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)C=C1CCC1 ZINC001081524369 993868299 /nfs/dbraw/zinc/86/82/99/993868299.db2.gz WHKROVUWGWWJCJ-RTBURBONSA-N 1 2 358.869 2.617 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)C=C1CCC1 ZINC001081524369 993868308 /nfs/dbraw/zinc/86/83/08/993868308.db2.gz WHKROVUWGWWJCJ-RTBURBONSA-N 1 2 358.869 2.617 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cccc(F)c1C ZINC001081709508 993927993 /nfs/dbraw/zinc/92/79/93/993927993.db2.gz XWFCAKQFDQWOSE-NHCUHLMSSA-N 1 2 366.436 2.615 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cccc(F)c1C ZINC001081709508 993928006 /nfs/dbraw/zinc/92/80/06/993928006.db2.gz XWFCAKQFDQWOSE-NHCUHLMSSA-N 1 2 366.436 2.615 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cccc(C)c1F ZINC001081716776 993932528 /nfs/dbraw/zinc/93/25/28/993932528.db2.gz STWUKYWQNJWCFG-WOJBJXKFSA-N 1 2 366.436 2.615 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cccc(C)c1F ZINC001081716776 993932537 /nfs/dbraw/zinc/93/25/37/993932537.db2.gz STWUKYWQNJWCFG-WOJBJXKFSA-N 1 2 366.436 2.615 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[C@H]1C=CCCC1 ZINC001081847026 994017757 /nfs/dbraw/zinc/01/77/57/994017757.db2.gz QRJAQSFINYRCCP-CEWLAPEOSA-N 1 2 370.468 2.739 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[C@H]1C=CCCC1 ZINC001081847026 994017764 /nfs/dbraw/zinc/01/77/64/994017764.db2.gz QRJAQSFINYRCCP-CEWLAPEOSA-N 1 2 370.468 2.739 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[C@H]1C=CCCC1 ZINC001081847264 994018993 /nfs/dbraw/zinc/01/89/93/994018993.db2.gz ZOJJGSKCGSCJSE-CWFSZBLJSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[C@H]1C=CCCC1 ZINC001081847264 994019000 /nfs/dbraw/zinc/01/90/00/994019000.db2.gz ZOJJGSKCGSCJSE-CWFSZBLJSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1CCCC12CC2 ZINC001081850894 994020601 /nfs/dbraw/zinc/02/06/01/994020601.db2.gz XEQHRMZQDBVHJK-BHIYHBOVSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1CCCC12CC2 ZINC001081850894 994020609 /nfs/dbraw/zinc/02/06/09/994020609.db2.gz XEQHRMZQDBVHJK-BHIYHBOVSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001081974858 994073307 /nfs/dbraw/zinc/07/33/07/994073307.db2.gz GAAZUJYXKAQONY-PVIWCNJMSA-N 1 2 366.505 2.680 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001081974858 994073316 /nfs/dbraw/zinc/07/33/16/994073316.db2.gz GAAZUJYXKAQONY-PVIWCNJMSA-N 1 2 366.505 2.680 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CC1CC(C)(C)C1 ZINC001082056571 994136618 /nfs/dbraw/zinc/13/66/18/994136618.db2.gz QWTCAKBDRQMMRZ-IAGOWNOFSA-N 1 2 361.511 2.761 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CC1CC(C)(C)C1 ZINC001082056571 994136624 /nfs/dbraw/zinc/13/66/24/994136624.db2.gz QWTCAKBDRQMMRZ-IAGOWNOFSA-N 1 2 361.511 2.761 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001082111141 994194047 /nfs/dbraw/zinc/19/40/47/994194047.db2.gz TZSXBWQBFHBYON-VAMGGRTRSA-N 1 2 354.494 2.680 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001082111141 994194055 /nfs/dbraw/zinc/19/40/55/994194055.db2.gz TZSXBWQBFHBYON-VAMGGRTRSA-N 1 2 354.494 2.680 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001082114695 994197553 /nfs/dbraw/zinc/19/75/53/994197553.db2.gz PUTMZEBTGIQASI-SFFNPBHPSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001082114695 994197562 /nfs/dbraw/zinc/19/75/62/994197562.db2.gz PUTMZEBTGIQASI-SFFNPBHPSA-N 1 2 371.456 2.593 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2nc(C(C)C)no2)C1 ZINC001082560849 994938674 /nfs/dbraw/zinc/93/86/74/994938674.db2.gz ZNIFBXSFCDMJRQ-OWCLPIDISA-N 1 2 371.485 2.992 20 30 FFEDLO C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)c3noc(C)n3)C2)cc1 ZINC001082600404 995045852 /nfs/dbraw/zinc/04/58/52/995045852.db2.gz UUBXGLLNKPPEBQ-QWQRMKEZSA-N 1 2 370.453 2.754 20 30 FFEDLO Cc1cccc(C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@H]32)c1 ZINC001082988160 995982753 /nfs/dbraw/zinc/98/27/53/995982753.db2.gz MMAVVQINPSZHGX-RBUKOAKNSA-N 1 2 367.474 2.654 20 30 FFEDLO Cc1cccc(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@@H]32)c1 ZINC001082988160 995982759 /nfs/dbraw/zinc/98/27/59/995982759.db2.gz MMAVVQINPSZHGX-RBUKOAKNSA-N 1 2 367.474 2.654 20 30 FFEDLO C[C@@H](c1ccccc1Cl)[N@@H+]1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC001083075179 996028842 /nfs/dbraw/zinc/02/88/42/996028842.db2.gz IOUFZBXAQCKNQS-ZOCIIQOWSA-N 1 2 358.869 2.726 20 30 FFEDLO C[C@@H](c1ccccc1Cl)[N@H+]1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC001083075179 996028844 /nfs/dbraw/zinc/02/88/44/996028844.db2.gz IOUFZBXAQCKNQS-ZOCIIQOWSA-N 1 2 358.869 2.726 20 30 FFEDLO O=C(CCC1CCC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001083041023 996037122 /nfs/dbraw/zinc/03/71/22/996037122.db2.gz NMMSXCPTDNARSP-LEWJYISDSA-N 1 2 370.468 2.669 20 30 FFEDLO O=C(CCC1CCC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001083041023 996037126 /nfs/dbraw/zinc/03/71/26/996037126.db2.gz NMMSXCPTDNARSP-LEWJYISDSA-N 1 2 370.468 2.669 20 30 FFEDLO Cc1occc1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084176973 996307918 /nfs/dbraw/zinc/30/79/18/996307918.db2.gz OSPOXEXDWFGVHE-DNVCBOLYSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1occc1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084176973 996307926 /nfs/dbraw/zinc/30/79/26/996307926.db2.gz OSPOXEXDWFGVHE-DNVCBOLYSA-N 1 2 353.397 2.945 20 30 FFEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C[C@H]32)[nH]1 ZINC001084288015 996393881 /nfs/dbraw/zinc/39/38/81/996393881.db2.gz DSKYTAVGZMNGKP-FZKQIMNGSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C[C@H]32)[nH]1 ZINC001084288015 996393886 /nfs/dbraw/zinc/39/38/86/996393886.db2.gz DSKYTAVGZMNGKP-FZKQIMNGSA-N 1 2 356.376 2.511 20 30 FFEDLO Cc1nscc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084292499 996397444 /nfs/dbraw/zinc/39/74/44/996397444.db2.gz FOPTZVLXBNNYRW-CRAIPNDOSA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1nscc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084292499 996397450 /nfs/dbraw/zinc/39/74/50/996397450.db2.gz FOPTZVLXBNNYRW-CRAIPNDOSA-N 1 2 370.453 2.809 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C[C@H]32)c1 ZINC001084261324 996406166 /nfs/dbraw/zinc/40/61/66/996406166.db2.gz FFJQJEODTOZJAP-RDTXWAMCSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C[C@H]32)c1 ZINC001084261324 996406170 /nfs/dbraw/zinc/40/61/70/996406170.db2.gz FFJQJEODTOZJAP-RDTXWAMCSA-N 1 2 356.376 2.511 20 30 FFEDLO Cc1cncc(C)c1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084516724 996637738 /nfs/dbraw/zinc/63/77/38/996637738.db2.gz FOVBBAUNRSKHNP-WOJBJXKFSA-N 1 2 360.461 2.917 20 30 FFEDLO Cc1cncc(C)c1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084516724 996637740 /nfs/dbraw/zinc/63/77/40/996637740.db2.gz FOVBBAUNRSKHNP-WOJBJXKFSA-N 1 2 360.461 2.917 20 30 FFEDLO Cc1cnc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)cc1C ZINC001084537191 996657365 /nfs/dbraw/zinc/65/73/65/996657365.db2.gz LVZHBFJCVCFZJK-DNVCBOLYSA-N 1 2 366.490 2.978 20 30 FFEDLO Cc1cnc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)cc1C ZINC001084537191 996657368 /nfs/dbraw/zinc/65/73/68/996657368.db2.gz LVZHBFJCVCFZJK-DNVCBOLYSA-N 1 2 366.490 2.978 20 30 FFEDLO CCCc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)n[nH]1 ZINC001084565078 996679208 /nfs/dbraw/zinc/67/92/08/996679208.db2.gz QWIDFNULLJDNKX-YLJYHZDGSA-N 1 2 363.465 2.580 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC001084571500 996684078 /nfs/dbraw/zinc/68/40/78/996684078.db2.gz YOTUXWMQQGBXCI-SJLPKXTDSA-N 1 2 361.530 2.570 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC001084571500 996684081 /nfs/dbraw/zinc/68/40/81/996684081.db2.gz YOTUXWMQQGBXCI-SJLPKXTDSA-N 1 2 361.530 2.570 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3c(C)nn(C)c3Cl)C[C@H]21 ZINC001084577523 996691597 /nfs/dbraw/zinc/69/15/97/996691597.db2.gz PFRNAZMAIHVSHF-UKRRQHHQSA-N 1 2 350.894 2.627 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3c(C)nn(C)c3Cl)C[C@H]21 ZINC001084577523 996691603 /nfs/dbraw/zinc/69/16/03/996691603.db2.gz PFRNAZMAIHVSHF-UKRRQHHQSA-N 1 2 350.894 2.627 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3CC)C[C@H]21 ZINC001084574556 996703368 /nfs/dbraw/zinc/70/33/68/996703368.db2.gz CHBMVNKDTMKVHE-IEBWSBKVSA-N 1 2 369.509 2.932 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccccc3CC)C[C@H]21 ZINC001084574556 996703372 /nfs/dbraw/zinc/70/33/72/996703372.db2.gz CHBMVNKDTMKVHE-IEBWSBKVSA-N 1 2 369.509 2.932 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C(F)F)n[nH]3)[C@@H]2C1 ZINC001084652600 996765077 /nfs/dbraw/zinc/76/50/77/996765077.db2.gz CVVHTILMFKAHRU-RHSMWYFYSA-N 1 2 371.391 2.565 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C(F)F)n[nH]3)[C@@H]2C1 ZINC001084652600 996765079 /nfs/dbraw/zinc/76/50/79/996765079.db2.gz CVVHTILMFKAHRU-RHSMWYFYSA-N 1 2 371.391 2.565 20 30 FFEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C[C@H]32)c1 ZINC001084647188 996765988 /nfs/dbraw/zinc/76/59/88/996765988.db2.gz LMOGSVXEVAVQNQ-OXQOHEQNSA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C[C@H]32)c1 ZINC001084647188 996765992 /nfs/dbraw/zinc/76/59/92/996765992.db2.gz LMOGSVXEVAVQNQ-OXQOHEQNSA-N 1 2 367.399 2.688 20 30 FFEDLO CCc1c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)ccn1C ZINC001084662558 996774559 /nfs/dbraw/zinc/77/45/59/996774559.db2.gz OQEZBDGQUJKMBI-WIYYLYMNSA-N 1 2 362.477 2.806 20 30 FFEDLO CCc1c(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)ccn1C ZINC001084662558 996774562 /nfs/dbraw/zinc/77/45/62/996774562.db2.gz OQEZBDGQUJKMBI-WIYYLYMNSA-N 1 2 362.477 2.806 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3c(C)noc3C)[C@@H]2C1 ZINC001084706533 996994571 /nfs/dbraw/zinc/99/45/71/996994571.db2.gz CTJSBOFHXDPUMR-RGYTYGDFSA-N 1 2 351.878 2.755 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3c(C)noc3C)[C@@H]2C1 ZINC001084706533 996994582 /nfs/dbraw/zinc/99/45/82/996994582.db2.gz CTJSBOFHXDPUMR-RGYTYGDFSA-N 1 2 351.878 2.755 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4cccnn43)[C@@H]2C1 ZINC001084706520 996995133 /nfs/dbraw/zinc/99/51/33/996995133.db2.gz CCOIVFDBSRFRLF-WIYYLYMNSA-N 1 2 371.444 2.552 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4cccnn43)[C@@H]2C1 ZINC001084706520 996995144 /nfs/dbraw/zinc/99/51/44/996995144.db2.gz CCOIVFDBSRFRLF-WIYYLYMNSA-N 1 2 371.444 2.552 20 30 FFEDLO CCOC(=O)c1c(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)cnn1C ZINC001136910325 997019032 /nfs/dbraw/zinc/01/90/32/997019032.db2.gz YHHXZWKGFGXULY-GOSISDBHSA-N 1 2 368.437 2.512 20 30 FFEDLO CCOC(=O)c1c(C[N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)cnn1C ZINC001136910325 997019046 /nfs/dbraw/zinc/01/90/46/997019046.db2.gz YHHXZWKGFGXULY-GOSISDBHSA-N 1 2 368.437 2.512 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccns3)C[C@H]21 ZINC001084712600 997033395 /nfs/dbraw/zinc/03/33/95/997033395.db2.gz OJVSELZJIIUFBJ-SPUZQDLCSA-N 1 2 361.511 2.547 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccns3)C[C@H]21 ZINC001084712600 997033404 /nfs/dbraw/zinc/03/34/04/997033404.db2.gz OJVSELZJIIUFBJ-SPUZQDLCSA-N 1 2 361.511 2.547 20 30 FFEDLO C=CCN1CC[N@@H+](C)C2(CCN(Cc3nc4ccccc4s3)CC2)C1=O ZINC001136952018 997124714 /nfs/dbraw/zinc/12/47/14/997124714.db2.gz GOKRMOURZDGDSQ-UHFFFAOYSA-N 1 2 370.522 2.591 20 30 FFEDLO C=CCN1CC[N@H+](C)C2(CCN(Cc3nc4ccccc4s3)CC2)C1=O ZINC001136952018 997124719 /nfs/dbraw/zinc/12/47/19/997124719.db2.gz GOKRMOURZDGDSQ-UHFFFAOYSA-N 1 2 370.522 2.591 20 30 FFEDLO Cc1nc(C)c(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)s1 ZINC001084819250 997536069 /nfs/dbraw/zinc/53/60/69/997536069.db2.gz QHDZCAICQLOWLT-RTBURBONSA-N 1 2 365.502 2.958 20 30 FFEDLO Cc1nc(C)c(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)s1 ZINC001084819250 997536074 /nfs/dbraw/zinc/53/60/74/997536074.db2.gz QHDZCAICQLOWLT-RTBURBONSA-N 1 2 365.502 2.958 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)COc3cc(F)cc(F)c3)[C@@H]2C1 ZINC001084858067 997689636 /nfs/dbraw/zinc/68/96/36/997689636.db2.gz IIHOIJLWDVAOOA-MLGOLLRUSA-N 1 2 356.800 2.629 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)COc3cc(F)cc(F)c3)[C@@H]2C1 ZINC001084858067 997689644 /nfs/dbraw/zinc/68/96/44/997689644.db2.gz IIHOIJLWDVAOOA-MLGOLLRUSA-N 1 2 356.800 2.629 20 30 FFEDLO CC(C)OC(=O)Cc1nc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)cs1 ZINC000844370306 997812457 /nfs/dbraw/zinc/81/24/57/997812457.db2.gz QUGOAUQFCBRGBB-QGZVFWFLSA-N 1 2 373.478 2.674 20 30 FFEDLO CC(C)OC(=O)Cc1nc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)cs1 ZINC000844370306 997812465 /nfs/dbraw/zinc/81/24/65/997812465.db2.gz QUGOAUQFCBRGBB-QGZVFWFLSA-N 1 2 373.478 2.674 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H](C)CO1 ZINC000844390363 997851780 /nfs/dbraw/zinc/85/17/80/997851780.db2.gz GSZUUYQUWSVZMQ-IMJJTQAJSA-N 1 2 350.422 2.723 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H](C)CO1 ZINC000844390363 997851787 /nfs/dbraw/zinc/85/17/87/997851787.db2.gz GSZUUYQUWSVZMQ-IMJJTQAJSA-N 1 2 350.422 2.723 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cscn3)C[C@@H]21 ZINC001084901070 997959200 /nfs/dbraw/zinc/95/92/00/997959200.db2.gz NJMDFLPRXWCFMN-YPMHNXCESA-N 1 2 356.289 2.588 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cscn3)C[C@@H]21 ZINC001084901070 997959206 /nfs/dbraw/zinc/95/92/06/997959206.db2.gz NJMDFLPRXWCFMN-YPMHNXCESA-N 1 2 356.289 2.588 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001090964326 997974519 /nfs/dbraw/zinc/97/45/19/997974519.db2.gz FQDLKXBKDZKGPG-UKPHBRMFSA-N 1 2 358.486 2.902 20 30 FFEDLO CC(C)(C)c1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)no1 ZINC001084937682 998222896 /nfs/dbraw/zinc/22/28/96/998222896.db2.gz RTAANDHTEWWJLG-AEFFLSMTSA-N 1 2 355.482 2.808 20 30 FFEDLO CC(C)(C)c1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)no1 ZINC001084937682 998222901 /nfs/dbraw/zinc/22/29/01/998222901.db2.gz RTAANDHTEWWJLG-AEFFLSMTSA-N 1 2 355.482 2.808 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3onc(C)c3C)C[C@@H]21 ZINC001084967287 998428383 /nfs/dbraw/zinc/42/83/83/998428383.db2.gz ZSUCOPVTHYRWLY-KGLIPLIRSA-N 1 2 368.275 2.736 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3onc(C)c3C)C[C@@H]21 ZINC001084967287 998428390 /nfs/dbraw/zinc/42/83/90/998428390.db2.gz ZSUCOPVTHYRWLY-KGLIPLIRSA-N 1 2 368.275 2.736 20 30 FFEDLO COC(=O)[C@@](C)(Cc1ccc(O)cc1)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171183038 998548496 /nfs/dbraw/zinc/54/84/96/998548496.db2.gz AMLDWWUCSOPGLR-YCRPNKLZSA-N 1 2 352.434 2.959 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001085024018 998701648 /nfs/dbraw/zinc/70/16/48/998701648.db2.gz NZDLOXLJNNTLMZ-PTSWNOGYSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001085024018 998701654 /nfs/dbraw/zinc/70/16/54/998701654.db2.gz NZDLOXLJNNTLMZ-PTSWNOGYSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cn(C(C)(C)C)nn4)[C@H]3C2)C1 ZINC001085027213 998712770 /nfs/dbraw/zinc/71/27/70/998712770.db2.gz RXYPWWSGIUEQKF-AEFFLSMTSA-N 1 2 371.529 2.812 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4cn(C(C)(C)C)nn4)[C@H]3C2)C1 ZINC001085027213 998712774 /nfs/dbraw/zinc/71/27/74/998712774.db2.gz RXYPWWSGIUEQKF-AEFFLSMTSA-N 1 2 371.529 2.812 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cc(F)ccc4C#N)[C@H]3C2)O1 ZINC001085038857 998736589 /nfs/dbraw/zinc/73/65/89/998736589.db2.gz MUFQXAWRLVXWMJ-XWYPRVOQSA-N 1 2 371.456 2.688 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4cc(F)ccc4C#N)[C@H]3C2)O1 ZINC001085038857 998736596 /nfs/dbraw/zinc/73/65/96/998736596.db2.gz MUFQXAWRLVXWMJ-XWYPRVOQSA-N 1 2 371.456 2.688 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000734173047 999221674 /nfs/dbraw/zinc/22/16/74/999221674.db2.gz XNQRWKAXKKABAY-UHFFFAOYSA-N 1 2 369.490 2.788 20 30 FFEDLO CC(C)CN(CCC#N)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000735468329 999433555 /nfs/dbraw/zinc/43/35/55/999433555.db2.gz LMSWLVDDUOPTQW-QGZVFWFLSA-N 1 2 360.477 2.734 20 30 FFEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719015 999613701 /nfs/dbraw/zinc/61/37/01/999613701.db2.gz HLYDESIBVXCHIH-SBHAEUEKSA-N 1 2 353.466 2.550 20 30 FFEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719015 999613702 /nfs/dbraw/zinc/61/37/02/999613702.db2.gz HLYDESIBVXCHIH-SBHAEUEKSA-N 1 2 353.466 2.550 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1oc(C(C)C)nc1C ZINC001085823230 999644367 /nfs/dbraw/zinc/64/43/67/999644367.db2.gz CTHSQTFBXPATAI-BBWFWOEESA-N 1 2 361.486 2.730 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1oc(C(C)C)nc1C ZINC001085823230 999644370 /nfs/dbraw/zinc/64/43/70/999644370.db2.gz CTHSQTFBXPATAI-BBWFWOEESA-N 1 2 361.486 2.730 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000741789115 999742571 /nfs/dbraw/zinc/74/25/71/999742571.db2.gz TTYVRJOMIJHVFG-OXQOHEQNSA-N 1 2 364.449 2.546 20 30 FFEDLO C[C@@]1(CNC(=O)[C@@H]2C[C@H]2C2CCC2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108272186 999898304 /nfs/dbraw/zinc/89/83/04/999898304.db2.gz AKSGADPNXDLQFV-TUNNFDKTSA-N 1 2 367.493 2.702 20 30 FFEDLO C[C@@]1(CNC(=O)[C@@H]2C[C@H]2C2CCC2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108272186 999898306 /nfs/dbraw/zinc/89/83/06/999898306.db2.gz AKSGADPNXDLQFV-TUNNFDKTSA-N 1 2 367.493 2.702 20 30 FFEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001108327741 999990025 /nfs/dbraw/zinc/99/00/25/999990025.db2.gz RELXZVCECUIGCT-IQUTYRLHSA-N 1 2 368.399 2.601 20 30 FFEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001108327741 999990026 /nfs/dbraw/zinc/99/00/26/999990026.db2.gz RELXZVCECUIGCT-IQUTYRLHSA-N 1 2 368.399 2.601 20 30 FFEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001108947728 1000134985 /nfs/dbraw/zinc/13/49/85/1000134985.db2.gz FJKRLYCGBVLPGG-SQNIBIBYSA-N 1 2 373.909 2.670 20 30 FFEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001108947728 1000134986 /nfs/dbraw/zinc/13/49/86/1000134986.db2.gz FJKRLYCGBVLPGG-SQNIBIBYSA-N 1 2 373.909 2.670 20 30 FFEDLO CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001108969895 1000140646 /nfs/dbraw/zinc/14/06/46/1000140646.db2.gz MWEZWQLTTWDFGZ-VLQPXKRTSA-N 1 2 360.885 2.838 20 30 FFEDLO CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001108969895 1000140648 /nfs/dbraw/zinc/14/06/48/1000140648.db2.gz MWEZWQLTTWDFGZ-VLQPXKRTSA-N 1 2 360.885 2.838 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)s1 ZINC001109037922 1000157294 /nfs/dbraw/zinc/15/72/94/1000157294.db2.gz HAZJPKKOJLWTJM-ORQFMDKSSA-N 1 2 363.527 2.963 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)s1 ZINC001109037922 1000157295 /nfs/dbraw/zinc/15/72/95/1000157295.db2.gz HAZJPKKOJLWTJM-ORQFMDKSSA-N 1 2 363.527 2.963 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109120271 1000169814 /nfs/dbraw/zinc/16/98/14/1000169814.db2.gz KVYVDOIRFCGLAO-HOJAQTOUSA-N 1 2 371.456 2.902 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109120271 1000169817 /nfs/dbraw/zinc/16/98/17/1000169817.db2.gz KVYVDOIRFCGLAO-HOJAQTOUSA-N 1 2 371.456 2.902 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)c(C)o1)C2 ZINC001109150124 1000174819 /nfs/dbraw/zinc/17/48/19/1000174819.db2.gz RQFBVUZFJPQRKD-SQNIBIBYSA-N 1 2 373.497 2.656 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)c(C)o1)C2 ZINC001109150124 1000174820 /nfs/dbraw/zinc/17/48/20/1000174820.db2.gz RQFBVUZFJPQRKD-SQNIBIBYSA-N 1 2 373.497 2.656 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccc(F)cc2o1 ZINC001109204808 1000186128 /nfs/dbraw/zinc/18/61/28/1000186128.db2.gz ZCJSZXIMWKKQNU-PVAVHDDUSA-N 1 2 355.413 2.992 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccc(F)cc2o1 ZINC001109204808 1000186131 /nfs/dbraw/zinc/18/61/31/1000186131.db2.gz ZCJSZXIMWKKQNU-PVAVHDDUSA-N 1 2 355.413 2.992 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1c(C)cccc1C ZINC001109208684 1000186845 /nfs/dbraw/zinc/18/68/45/1000186845.db2.gz YJFSTOKYVHGTJC-QYZOEREBSA-N 1 2 367.493 2.767 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1c(C)cccc1C ZINC001109208684 1000186847 /nfs/dbraw/zinc/18/68/47/1000186847.db2.gz YJFSTOKYVHGTJC-QYZOEREBSA-N 1 2 367.493 2.767 20 30 FFEDLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@@H+]1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171212153 1000204150 /nfs/dbraw/zinc/20/41/50/1000204150.db2.gz JQDQMHRNYUJDKZ-YWZLYKJASA-N 1 2 365.481 2.737 20 30 FFEDLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@H+]1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171212153 1000204151 /nfs/dbraw/zinc/20/41/51/1000204151.db2.gz JQDQMHRNYUJDKZ-YWZLYKJASA-N 1 2 365.481 2.737 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)c1F ZINC001109273328 1000215908 /nfs/dbraw/zinc/21/59/08/1000215908.db2.gz BNROQUMEOYCMIJ-PVAVHDDUSA-N 1 2 364.848 2.741 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)c1F ZINC001109273328 1000215914 /nfs/dbraw/zinc/21/59/14/1000215914.db2.gz BNROQUMEOYCMIJ-PVAVHDDUSA-N 1 2 364.848 2.741 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(Cl)c1 ZINC001109273760 1000216124 /nfs/dbraw/zinc/21/61/24/1000216124.db2.gz RTHOXSNRZYHFIN-JLSDUUJJSA-N 1 2 364.848 2.741 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(Cl)c1 ZINC001109273760 1000216129 /nfs/dbraw/zinc/21/61/29/1000216129.db2.gz RTHOXSNRZYHFIN-JLSDUUJJSA-N 1 2 364.848 2.741 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129389913 1000271403 /nfs/dbraw/zinc/27/14/03/1000271403.db2.gz DLTQJSNMUSWHGT-MOPGFXCFSA-N 1 2 371.529 2.640 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CC(C)(C)C2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129389913 1000271412 /nfs/dbraw/zinc/27/14/12/1000271412.db2.gz DLTQJSNMUSWHGT-MOPGFXCFSA-N 1 2 371.529 2.640 20 30 FFEDLO CC[C@H](C#N)Oc1cc(CNc2nc(N(C)C)nc(C)[nH+]2)ccc1OC ZINC000768522422 1000281556 /nfs/dbraw/zinc/28/15/56/1000281556.db2.gz PMLLENWVTFIILE-CQSZACIVSA-N 1 2 356.430 2.548 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C(C)C ZINC001109335195 1000284213 /nfs/dbraw/zinc/28/42/13/1000284213.db2.gz MERYPTPDYZBXQK-OJLVUWQFSA-N 1 2 369.937 2.647 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C(C)C ZINC001109335195 1000284218 /nfs/dbraw/zinc/28/42/18/1000284218.db2.gz MERYPTPDYZBXQK-OJLVUWQFSA-N 1 2 369.937 2.647 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1 ZINC001109337189 1000286336 /nfs/dbraw/zinc/28/63/36/1000286336.db2.gz WZSCRTDKEIRFAY-SQNIBIBYSA-N 1 2 355.482 2.949 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1 ZINC001109337189 1000286339 /nfs/dbraw/zinc/28/63/39/1000286339.db2.gz WZSCRTDKEIRFAY-SQNIBIBYSA-N 1 2 355.482 2.949 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)nn1 ZINC000846834707 1000435791 /nfs/dbraw/zinc/43/57/91/1000435791.db2.gz DHDWSURVHCWCQS-RDJZCZTQSA-N 1 2 363.506 2.979 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)nn1 ZINC000846834707 1000435798 /nfs/dbraw/zinc/43/57/98/1000435798.db2.gz DHDWSURVHCWCQS-RDJZCZTQSA-N 1 2 363.506 2.979 20 30 FFEDLO COCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(Cl)cc2)CC1 ZINC001109518930 1000596582 /nfs/dbraw/zinc/59/65/82/1000596582.db2.gz IKKHVRBOTZSRLE-QYZOEREBSA-N 1 2 372.896 2.840 20 30 FFEDLO COCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(Cl)cc2)CC1 ZINC001109518930 1000596589 /nfs/dbraw/zinc/59/65/89/1000596589.db2.gz IKKHVRBOTZSRLE-QYZOEREBSA-N 1 2 372.896 2.840 20 30 FFEDLO Cn1ncc2c1[nH]c(N[NH+]=CC=C1N(C)c3ccccc3C1(C)C)nc2=O ZINC000769819778 1000599490 /nfs/dbraw/zinc/59/94/90/1000599490.db2.gz YCTUSMNMLDEKAK-ZILQHULQSA-N 1 2 363.425 2.778 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F)C1CCC1 ZINC001109573262 1000662695 /nfs/dbraw/zinc/66/26/95/1000662695.db2.gz FRISWAIRSPKFSM-BTHPGYMESA-N 1 2 371.456 2.734 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F)C1CCC1 ZINC001109573262 1000662697 /nfs/dbraw/zinc/66/26/97/1000662697.db2.gz FRISWAIRSPKFSM-BTHPGYMESA-N 1 2 371.456 2.734 20 30 FFEDLO Cc1nc(N[C@@H]2CC[C@H](CNC(=O)C#CC3CC3)C2)c2c([nH+]1)CCCC2 ZINC001091571110 1000693600 /nfs/dbraw/zinc/69/36/00/1000693600.db2.gz AWRIADXJDKADFT-DLBZAZTESA-N 1 2 352.482 2.774 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(Cl)cc(O)cc1Cl ZINC001276164710 1016436111 /nfs/dbraw/zinc/43/61/11/1016436111.db2.gz HCHRCBNTTQVOKF-HZPDHXFCSA-N 1 2 353.249 2.898 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(Cl)cc(O)cc1Cl ZINC001276164710 1016436118 /nfs/dbraw/zinc/43/61/18/1016436118.db2.gz HCHRCBNTTQVOKF-HZPDHXFCSA-N 1 2 353.249 2.898 20 30 FFEDLO C=CCO[C@@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091587423 1000723795 /nfs/dbraw/zinc/72/37/95/1000723795.db2.gz RBHSMEFYPKPZKZ-YQQAZPJKSA-N 1 2 358.486 2.950 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1 ZINC001109634224 1000735109 /nfs/dbraw/zinc/73/51/09/1000735109.db2.gz HFHXADGGEHJCCJ-RNQOJCNYSA-N 1 2 369.509 2.627 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1 ZINC001109634224 1000735115 /nfs/dbraw/zinc/73/51/15/1000735115.db2.gz HFHXADGGEHJCCJ-RNQOJCNYSA-N 1 2 369.509 2.627 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1ccco1 ZINC001109634461 1000736101 /nfs/dbraw/zinc/73/61/01/1000736101.db2.gz NJBARCPUIVUAMG-FPAYPSAMSA-N 1 2 373.497 2.562 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1ccco1 ZINC001109634461 1000736107 /nfs/dbraw/zinc/73/61/07/1000736107.db2.gz NJBARCPUIVUAMG-FPAYPSAMSA-N 1 2 373.497 2.562 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1 ZINC001109631819 1000747569 /nfs/dbraw/zinc/74/75/69/1000747569.db2.gz OULUCMFQZPYAAW-YSHGAJCASA-N 1 2 355.482 2.949 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1 ZINC001109631819 1000747573 /nfs/dbraw/zinc/74/75/73/1000747573.db2.gz OULUCMFQZPYAAW-YSHGAJCASA-N 1 2 355.482 2.949 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC(C)(C)C)CC1 ZINC001109676247 1000818106 /nfs/dbraw/zinc/81/81/06/1000818106.db2.gz XLOSOYPEYBTYCL-SQNIBIBYSA-N 1 2 361.530 2.617 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC(C)(C)C)CC1 ZINC001109676247 1000818111 /nfs/dbraw/zinc/81/81/11/1000818111.db2.gz XLOSOYPEYBTYCL-SQNIBIBYSA-N 1 2 361.530 2.617 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)c2ccco2)C1 ZINC001109697253 1000855276 /nfs/dbraw/zinc/85/52/76/1000855276.db2.gz XGBBCKDOJJRLOO-YVSFHVDLSA-N 1 2 371.481 2.535 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)c2ccco2)C1 ZINC001109697253 1000855281 /nfs/dbraw/zinc/85/52/81/1000855281.db2.gz XGBBCKDOJJRLOO-YVSFHVDLSA-N 1 2 371.481 2.535 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109692449 1000863600 /nfs/dbraw/zinc/86/36/00/1000863600.db2.gz XCCDTLYKMHMVMG-BTHPGYMESA-N 1 2 373.472 2.980 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109692449 1000863605 /nfs/dbraw/zinc/86/36/05/1000863605.db2.gz XCCDTLYKMHMVMG-BTHPGYMESA-N 1 2 373.472 2.980 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@H]1CC[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091644619 1000940449 /nfs/dbraw/zinc/94/04/49/1000940449.db2.gz XIMPSFZONPHROH-LSDHHAIUSA-N 1 2 360.506 2.545 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(OC)nc1C ZINC001109769456 1000975500 /nfs/dbraw/zinc/97/55/00/1000975500.db2.gz DKQKOCHORAICLE-IKGGRYGDSA-N 1 2 358.486 2.617 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(OC)nc1C ZINC001109769456 1000975508 /nfs/dbraw/zinc/97/55/08/1000975508.db2.gz DKQKOCHORAICLE-IKGGRYGDSA-N 1 2 358.486 2.617 20 30 FFEDLO COCCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001109916444 1001143323 /nfs/dbraw/zinc/14/33/23/1001143323.db2.gz RRJJDJNFLHXETE-AABGKKOBSA-N 1 2 372.484 2.961 20 30 FFEDLO COCCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001109916444 1001143324 /nfs/dbraw/zinc/14/33/24/1001143324.db2.gz RRJJDJNFLHXETE-AABGKKOBSA-N 1 2 372.484 2.961 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1CC ZINC001091761645 1001244423 /nfs/dbraw/zinc/24/44/23/1001244423.db2.gz KPJQIISBJXMJNV-BPQIPLTHSA-N 1 2 360.502 2.857 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccn2)C3)c(F)c1 ZINC001096731266 1016484907 /nfs/dbraw/zinc/48/49/07/1016484907.db2.gz XDYVQGLFIGBDBX-LZQZEXGQSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccn2)C3)c(F)c1 ZINC001096731266 1016484910 /nfs/dbraw/zinc/48/49/10/1016484910.db2.gz XDYVQGLFIGBDBX-LZQZEXGQSA-N 1 2 350.397 2.628 20 30 FFEDLO C=CC[N@@H+](CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1)C1CC1 ZINC000772383633 1001381802 /nfs/dbraw/zinc/38/18/02/1001381802.db2.gz WSOKPRDIQIHTMJ-GOSISDBHSA-N 1 2 355.438 2.508 20 30 FFEDLO C=CC[N@H+](CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1)C1CC1 ZINC000772383633 1001381806 /nfs/dbraw/zinc/38/18/06/1001381806.db2.gz WSOKPRDIQIHTMJ-GOSISDBHSA-N 1 2 355.438 2.508 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(C)cc1OC)C2 ZINC001110074250 1001435262 /nfs/dbraw/zinc/43/52/62/1001435262.db2.gz JYJGZXHWKYWWOE-PMPSAXMXSA-N 1 2 364.873 2.856 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(C)cc1OC)C2 ZINC001110074250 1001435263 /nfs/dbraw/zinc/43/52/63/1001435263.db2.gz JYJGZXHWKYWWOE-PMPSAXMXSA-N 1 2 364.873 2.856 20 30 FFEDLO CCCCCCCCCNC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000785499164 1001444925 /nfs/dbraw/zinc/44/49/25/1001444925.db2.gz IPTVVZUXGFPFQP-KRWDZBQOSA-N 1 2 362.518 2.993 20 30 FFEDLO C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1CNc1ccc(C#N)nc1 ZINC001054694164 1016497225 /nfs/dbraw/zinc/49/72/25/1016497225.db2.gz JPZDIENWUNYLHS-UKRRQHHQSA-N 1 2 360.421 2.650 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000785761485 1001480255 /nfs/dbraw/zinc/48/02/55/1001480255.db2.gz IZWVUGQYMUTMBL-FQEVSTJZSA-N 1 2 360.454 2.603 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@@H+](Cc4nc(CCC)no4)C[C@@]3(C)C2)C1 ZINC001091995698 1002201009 /nfs/dbraw/zinc/20/10/09/1002201009.db2.gz JVRWDNLVRYIFJQ-QRWLVFNGSA-N 1 2 358.486 2.659 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](Cc4nc(CCC)no4)C[C@@]3(C)C2)C1 ZINC001091995698 1002201019 /nfs/dbraw/zinc/20/10/19/1002201019.db2.gz JVRWDNLVRYIFJQ-QRWLVFNGSA-N 1 2 358.486 2.659 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C5CC5)o4)C[C@@]3(C)C2)C1 ZINC001091995965 1002201749 /nfs/dbraw/zinc/20/17/49/1002201749.db2.gz NLGJOQYCQJDXRH-QRWLVFNGSA-N 1 2 356.470 2.584 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C5CC5)o4)C[C@@]3(C)C2)C1 ZINC001091995965 1002201756 /nfs/dbraw/zinc/20/17/56/1002201756.db2.gz NLGJOQYCQJDXRH-QRWLVFNGSA-N 1 2 356.470 2.584 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](Nc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001096820746 1016596116 /nfs/dbraw/zinc/59/61/16/1016596116.db2.gz BCRBSYQJUMEBBI-IKGGRYGDSA-N 1 2 356.470 2.560 20 30 FFEDLO Cc1ccc(C#N)c(NCC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001113465678 1002551594 /nfs/dbraw/zinc/55/15/94/1002551594.db2.gz RGNMNPJUDJILJE-HZPDHXFCSA-N 1 2 366.469 2.685 20 30 FFEDLO Cc1ccc(C#N)c(NCC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC001113465678 1002551607 /nfs/dbraw/zinc/55/16/07/1002551607.db2.gz RGNMNPJUDJILJE-HZPDHXFCSA-N 1 2 366.469 2.685 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cc(C)ncn2)C1 ZINC001092316298 1002669758 /nfs/dbraw/zinc/66/97/58/1002669758.db2.gz XQNCDISQKZCTKJ-USXIJHARSA-N 1 2 368.485 2.527 20 30 FFEDLO Cc1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)s1 ZINC001096868996 1016656495 /nfs/dbraw/zinc/65/64/95/1016656495.db2.gz MJEHEMXXHLBSJL-KURKYZTESA-N 1 2 351.475 2.838 20 30 FFEDLO Cc1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)s1 ZINC001096868996 1016656509 /nfs/dbraw/zinc/65/65/09/1016656509.db2.gz MJEHEMXXHLBSJL-KURKYZTESA-N 1 2 351.475 2.838 20 30 FFEDLO C=C1CC(C)(C(=O)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)C1 ZINC001184783358 1002718175 /nfs/dbraw/zinc/71/81/75/1002718175.db2.gz VRXKVCHAQXGERA-MRXNPFEDSA-N 1 2 352.438 2.672 20 30 FFEDLO C#CCC1(C(=O)NC[C@@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2C)CCCCC1 ZINC001092374951 1002790117 /nfs/dbraw/zinc/79/01/17/1002790117.db2.gz QCIXVRKDWFWNGP-SJLPKXTDSA-N 1 2 354.498 2.947 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1=CC[N@H+]([C@H](C)c2ncccn2)CC1 ZINC001001243744 1016715314 /nfs/dbraw/zinc/71/53/14/1016715314.db2.gz UDHQTUBARLSUAE-NEWSRXKRSA-N 1 2 370.497 2.657 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1=CC[N@@H+]([C@H](C)c2ncccn2)CC1 ZINC001001243744 1016715327 /nfs/dbraw/zinc/71/53/27/1016715327.db2.gz UDHQTUBARLSUAE-NEWSRXKRSA-N 1 2 370.497 2.657 20 30 FFEDLO Cc1ccncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001096912125 1016729012 /nfs/dbraw/zinc/72/90/12/1016729012.db2.gz YUBOAAKQOAYRHG-XWIAVFTESA-N 1 2 352.463 2.859 20 30 FFEDLO Cc1ccncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001096912125 1016729024 /nfs/dbraw/zinc/72/90/24/1016729024.db2.gz YUBOAAKQOAYRHG-XWIAVFTESA-N 1 2 352.463 2.859 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(C(F)(F)F)nc1 ZINC001110379061 1003271689 /nfs/dbraw/zinc/27/16/89/1003271689.db2.gz UCYISZGMELUVCO-MCIONIFRSA-N 1 2 354.376 2.683 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(C(F)(F)F)nc1 ZINC001110379061 1003271697 /nfs/dbraw/zinc/27/16/97/1003271697.db2.gz UCYISZGMELUVCO-MCIONIFRSA-N 1 2 354.376 2.683 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC)c1ccccc1 ZINC001111440499 1016751372 /nfs/dbraw/zinc/75/13/72/1016751372.db2.gz RPHIPBUVQHQZPF-NBYUQASBSA-N 1 2 369.509 2.594 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC)c1ccccc1 ZINC001111440499 1016751388 /nfs/dbraw/zinc/75/13/88/1016751388.db2.gz RPHIPBUVQHQZPF-NBYUQASBSA-N 1 2 369.509 2.594 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC)c1ccccc1 ZINC001111440498 1016751996 /nfs/dbraw/zinc/75/19/96/1016751996.db2.gz RPHIPBUVQHQZPF-AFYVEPGGSA-N 1 2 369.509 2.594 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC)c1ccccc1 ZINC001111440498 1016752005 /nfs/dbraw/zinc/75/20/05/1016752005.db2.gz RPHIPBUVQHQZPF-AFYVEPGGSA-N 1 2 369.509 2.594 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H](CNc2[nH+]cnc3c2cnn3C)[C@H](C)C1 ZINC001092661742 1003371856 /nfs/dbraw/zinc/37/18/56/1003371856.db2.gz DSGGWNGUBQDKEN-GDBMZVCRSA-N 1 2 368.485 2.638 20 30 FFEDLO C=CCc1c(F)c(F)c(C(=O)N2CCc3[nH+]ccn3CC2)c(F)c1F ZINC001186723382 1003410697 /nfs/dbraw/zinc/41/06/97/1003410697.db2.gz RXECVVHHGCKZDA-UHFFFAOYSA-N 1 2 353.319 2.867 20 30 FFEDLO C=CCCCC(=O)NC[C@]12CCC[C@H]1N(c1[nH+]cnc3c1cnn3C)CC2 ZINC001092712444 1003473923 /nfs/dbraw/zinc/47/39/23/1003473923.db2.gz ZQWRZWCJUZSHAR-OXQOHEQNSA-N 1 2 368.485 2.585 20 30 FFEDLO COc1ccc(F)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2 ZINC001096975439 1016794732 /nfs/dbraw/zinc/79/47/32/1016794732.db2.gz ZOLMHRBHNJMJMU-KURKYZTESA-N 1 2 368.412 2.569 20 30 FFEDLO COc1ccc(F)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2 ZINC001096975439 1016794744 /nfs/dbraw/zinc/79/47/44/1016794744.db2.gz ZOLMHRBHNJMJMU-KURKYZTESA-N 1 2 368.412 2.569 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C)OCC ZINC001092888051 1003654241 /nfs/dbraw/zinc/65/42/41/1003654241.db2.gz NDDOHFWILQJVBY-YDZRNGNQSA-N 1 2 372.513 2.999 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F)n1cccc1 ZINC001096958484 1016827542 /nfs/dbraw/zinc/82/75/42/1016827542.db2.gz CXQXOHZBAFGWLE-JRJVTICQSA-N 1 2 366.440 2.982 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F)n1cccc1 ZINC001096958484 1016827559 /nfs/dbraw/zinc/82/75/59/1016827559.db2.gz CXQXOHZBAFGWLE-JRJVTICQSA-N 1 2 366.440 2.982 20 30 FFEDLO CCCCC[C@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001196700188 1003917986 /nfs/dbraw/zinc/91/79/86/1003917986.db2.gz AKJUHWCQRDACNI-PWIZWCRZSA-N 1 2 357.498 2.826 20 30 FFEDLO CCCCC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001196700188 1003917992 /nfs/dbraw/zinc/91/79/92/1003917992.db2.gz AKJUHWCQRDACNI-PWIZWCRZSA-N 1 2 357.498 2.826 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cccc(Br)c2)C[C@H]1O ZINC001191715186 1003923463 /nfs/dbraw/zinc/92/34/63/1003923463.db2.gz SMTMIDRTLLPXEM-DAXOMENPSA-N 1 2 367.287 2.638 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cccc(Br)c2)C[C@H]1O ZINC001191715186 1003923467 /nfs/dbraw/zinc/92/34/67/1003923467.db2.gz SMTMIDRTLLPXEM-DAXOMENPSA-N 1 2 367.287 2.638 20 30 FFEDLO CC(C)(C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001197075036 1004073349 /nfs/dbraw/zinc/07/33/49/1004073349.db2.gz ZZWAQWDTMURUNU-QZTJIDSGSA-N 1 2 362.901 2.679 20 30 FFEDLO CC(C)(C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001197075036 1004073354 /nfs/dbraw/zinc/07/33/54/1004073354.db2.gz ZZWAQWDTMURUNU-QZTJIDSGSA-N 1 2 362.901 2.679 20 30 FFEDLO N#CC1(NC(=O)c2c(O)ccc(F)c2F)CC[NH+](Cc2ccccc2)CC1 ZINC001192787940 1004274235 /nfs/dbraw/zinc/27/42/35/1004274235.db2.gz WJBLXMYHGKLLAK-UHFFFAOYSA-N 1 2 371.387 2.959 20 30 FFEDLO CC[C@@H](C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110455778 1004402396 /nfs/dbraw/zinc/40/23/96/1004402396.db2.gz MTFAEELDLWYDKT-AZFSHXRASA-N 1 2 359.445 2.734 20 30 FFEDLO CC[C@@H](C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110455778 1004402398 /nfs/dbraw/zinc/40/23/98/1004402398.db2.gz MTFAEELDLWYDKT-AZFSHXRASA-N 1 2 359.445 2.734 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCCOCC2)C3)c1 ZINC001097019849 1016906485 /nfs/dbraw/zinc/90/64/85/1016906485.db2.gz PYBDTZLMGNUNSD-QOJCHSLYSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCCOCC2)C3)c1 ZINC001097019849 1016906494 /nfs/dbraw/zinc/90/64/94/1016906494.db2.gz PYBDTZLMGNUNSD-QOJCHSLYSA-N 1 2 371.456 2.736 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@H]1O ZINC001195306686 1004937475 /nfs/dbraw/zinc/93/74/75/1004937475.db2.gz DCOSZEJSHSLZEB-NIKGAXFTSA-N 1 2 364.436 2.771 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@H]1O ZINC001195306686 1004937478 /nfs/dbraw/zinc/93/74/78/1004937478.db2.gz DCOSZEJSHSLZEB-NIKGAXFTSA-N 1 2 364.436 2.771 20 30 FFEDLO Cc1cc(C#N)cc(C(=O)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c1 ZINC001195411618 1004954138 /nfs/dbraw/zinc/95/41/38/1004954138.db2.gz NXPUGWKTSINDJE-SFHVURJKSA-N 1 2 364.449 2.762 20 30 FFEDLO COc1ccc(Cl)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC2CC2)C3)c1 ZINC001110540173 1005005123 /nfs/dbraw/zinc/00/51/23/1005005123.db2.gz GLSDEXNDOHRJDI-LZQZEXGQSA-N 1 2 358.869 2.984 20 30 FFEDLO COc1ccc(Cl)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC2CC2)C3)c1 ZINC001110540173 1005005127 /nfs/dbraw/zinc/00/51/27/1005005127.db2.gz GLSDEXNDOHRJDI-LZQZEXGQSA-N 1 2 358.869 2.984 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(Br)cc3)C2)[nH]1 ZINC001199684295 1005006764 /nfs/dbraw/zinc/00/67/64/1005006764.db2.gz WMHWOJCXAOWGAP-HNNXBMFYSA-N 1 2 373.254 2.653 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(Br)cc3)C2)[nH]1 ZINC001199684295 1005006769 /nfs/dbraw/zinc/00/67/69/1005006769.db2.gz WMHWOJCXAOWGAP-HNNXBMFYSA-N 1 2 373.254 2.653 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C(C)C)n3)C[C@H]2O)CCC1 ZINC001195897085 1005063030 /nfs/dbraw/zinc/06/30/30/1005063030.db2.gz OEMVXKWAEQNSPI-RTBURBONSA-N 1 2 357.498 2.613 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C(C)C)n3)C[C@H]2O)CCC1 ZINC001195897085 1005063032 /nfs/dbraw/zinc/06/30/32/1005063032.db2.gz OEMVXKWAEQNSPI-RTBURBONSA-N 1 2 357.498 2.613 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2ncnn2-c2ccccc2)[C@@H]1CC ZINC001489112089 1005411790 /nfs/dbraw/zinc/41/17/90/1005411790.db2.gz QIYIZEQNMGEBEF-RBUKOAKNSA-N 1 2 365.481 2.540 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ncnn2-c2ccccc2)[C@@H]1CC ZINC001489112089 1005411791 /nfs/dbraw/zinc/41/17/91/1005411791.db2.gz QIYIZEQNMGEBEF-RBUKOAKNSA-N 1 2 365.481 2.540 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccc(F)cc1 ZINC001110608453 1005561861 /nfs/dbraw/zinc/56/18/61/1005561861.db2.gz OLHACWWDFVYORG-QRVBRYPASA-N 1 2 373.472 2.520 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccc(F)cc1 ZINC001110608453 1005561863 /nfs/dbraw/zinc/56/18/63/1005561863.db2.gz OLHACWWDFVYORG-QRVBRYPASA-N 1 2 373.472 2.520 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001490347746 1005690094 /nfs/dbraw/zinc/69/00/94/1005690094.db2.gz WOSIHBARMRJUSE-HLLBOEOZSA-N 1 2 368.481 2.990 20 30 FFEDLO N#Cc1ccc(OCC(=O)OCC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000851398060 1005879994 /nfs/dbraw/zinc/87/99/94/1005879994.db2.gz OSIJJWVTOKJWLB-UHFFFAOYSA-N 1 2 351.406 2.792 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CCC(=O)OCc3ccccc3)CC2)cc1 ZINC000776579319 1005959936 /nfs/dbraw/zinc/95/99/36/1005959936.db2.gz MTGSYZIEZKSVEP-UHFFFAOYSA-N 1 2 363.461 2.809 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(-c4ccccc4)n3)C[C@H]21 ZINC001187240763 1005971585 /nfs/dbraw/zinc/97/15/85/1005971585.db2.gz ZOBJFAJXQAERRE-FXAWDEMLSA-N 1 2 350.466 2.871 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(-c4ccccc4)n3)C[C@H]21 ZINC001187240763 1005971591 /nfs/dbraw/zinc/97/15/91/1005971591.db2.gz ZOBJFAJXQAERRE-FXAWDEMLSA-N 1 2 350.466 2.871 20 30 FFEDLO C[C@]1(C2CC2)C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000852323250 1005976428 /nfs/dbraw/zinc/97/64/28/1005976428.db2.gz YAFREQIYLBVJDY-IIBYNOLFSA-N 1 2 362.433 2.725 20 30 FFEDLO C[C@]1(C2CC2)C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000852323250 1005976433 /nfs/dbraw/zinc/97/64/33/1005976433.db2.gz YAFREQIYLBVJDY-IIBYNOLFSA-N 1 2 362.433 2.725 20 30 FFEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCC(=O)N2CCc3ccccc32)C1 ZINC000852327558 1005979541 /nfs/dbraw/zinc/97/95/41/1005979541.db2.gz UEVQSNWXCLSURN-QFIPXVFZSA-N 1 2 360.461 2.918 20 30 FFEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCC(=O)N2CCc3ccccc32)C1 ZINC000852327558 1005979548 /nfs/dbraw/zinc/97/95/48/1005979548.db2.gz UEVQSNWXCLSURN-QFIPXVFZSA-N 1 2 360.461 2.918 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cnc(Cl)s3)C[C@H]21 ZINC001187218089 1005984821 /nfs/dbraw/zinc/98/48/21/1005984821.db2.gz YSPOMLAMCREGSG-VNHYZAJKSA-N 1 2 369.918 2.810 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cnc(Cl)s3)C[C@H]21 ZINC001187218089 1005984828 /nfs/dbraw/zinc/98/48/28/1005984828.db2.gz YSPOMLAMCREGSG-VNHYZAJKSA-N 1 2 369.918 2.810 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC=C(Cl)Cl)CCOCC1 ZINC001110651201 1006079291 /nfs/dbraw/zinc/07/92/91/1006079291.db2.gz RXMNBWLQLWAIFG-KFWWJZLASA-N 1 2 371.308 2.847 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC=C(Cl)Cl)CCOCC1 ZINC001110651201 1006079303 /nfs/dbraw/zinc/07/93/03/1006079303.db2.gz RXMNBWLQLWAIFG-KFWWJZLASA-N 1 2 371.308 2.847 20 30 FFEDLO C=CCOCCCC(=O)N1CC[C@H]2C[N@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001187472562 1006099127 /nfs/dbraw/zinc/09/91/27/1006099127.db2.gz JUKQCFYLCVZZCA-FUHWJXTLSA-N 1 2 359.470 2.568 20 30 FFEDLO C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001187472562 1006099141 /nfs/dbraw/zinc/09/91/41/1006099141.db2.gz JUKQCFYLCVZZCA-FUHWJXTLSA-N 1 2 359.470 2.568 20 30 FFEDLO C#CCC[N@@H+](CCOC)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000852753084 1006167990 /nfs/dbraw/zinc/16/79/90/1006167990.db2.gz WJTVINQSFKOZKD-QGZVFWFLSA-N 1 2 369.421 2.522 20 30 FFEDLO C#CCC[N@H+](CCOC)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000852753084 1006168000 /nfs/dbraw/zinc/16/80/00/1006168000.db2.gz WJTVINQSFKOZKD-QGZVFWFLSA-N 1 2 369.421 2.522 20 30 FFEDLO CCc1ccc(C#CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000814380816 1006269480 /nfs/dbraw/zinc/26/94/80/1006269480.db2.gz SAHIOIBAXTZRRE-QFIPXVFZSA-N 1 2 362.473 2.618 20 30 FFEDLO CCc1ccc(C#CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000814380816 1006269483 /nfs/dbraw/zinc/26/94/83/1006269483.db2.gz SAHIOIBAXTZRRE-QFIPXVFZSA-N 1 2 362.473 2.618 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H]2C(C)(C)C2(F)F)CC1=O ZINC000853000646 1006270966 /nfs/dbraw/zinc/27/09/66/1006270966.db2.gz OGLBNFDAILDODH-CQSZACIVSA-N 1 2 360.408 2.937 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1nc(C#N)ccc1Cl)C[NH2+]C2(C)C ZINC001170763895 1006425290 /nfs/dbraw/zinc/42/52/90/1006425290.db2.gz NVUBNYOYDPPQFG-UHFFFAOYSA-N 1 2 360.805 2.890 20 30 FFEDLO N#CC[C@H]1CCC[N@@H+](CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)C1 ZINC000853526675 1006429727 /nfs/dbraw/zinc/42/97/27/1006429727.db2.gz WHZUIWGIKFZNOO-IERDGZPVSA-N 1 2 366.465 2.743 20 30 FFEDLO N#CC[C@H]1CCC[N@H+](CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)C1 ZINC000853526675 1006429735 /nfs/dbraw/zinc/42/97/35/1006429735.db2.gz WHZUIWGIKFZNOO-IERDGZPVSA-N 1 2 366.465 2.743 20 30 FFEDLO CCc1ccc([C@@]2(CC)NC(=O)N(C[N@@H+]3CCC[C@H](CC#N)C3)C2=O)cc1 ZINC000853525657 1006429848 /nfs/dbraw/zinc/42/98/48/1006429848.db2.gz YPFPMNSETUPHOA-DYESRHJHSA-N 1 2 368.481 2.989 20 30 FFEDLO CCc1ccc([C@@]2(CC)NC(=O)N(C[N@H+]3CCC[C@H](CC#N)C3)C2=O)cc1 ZINC000853525657 1006429852 /nfs/dbraw/zinc/42/98/52/1006429852.db2.gz YPFPMNSETUPHOA-DYESRHJHSA-N 1 2 368.481 2.989 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1Br ZINC001110401717 1006714832 /nfs/dbraw/zinc/71/48/32/1006714832.db2.gz MKMSJUJNZUJXIE-ZCDTZLGTSA-N 1 2 362.271 2.830 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1Br ZINC001110401717 1006714843 /nfs/dbraw/zinc/71/48/43/1006714843.db2.gz MKMSJUJNZUJXIE-ZCDTZLGTSA-N 1 2 362.271 2.830 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883670955 1006940799 /nfs/dbraw/zinc/94/07/99/1006940799.db2.gz XBVOMFBVGDBDNE-QYZOEREBSA-N 1 2 354.454 2.905 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cnc3cccc(C)n13)CC2 ZINC001137193785 1006943719 /nfs/dbraw/zinc/94/37/19/1006943719.db2.gz DIKSMQIRRADPIK-UHFFFAOYSA-N 1 2 351.454 2.637 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cnc3cccc(C)n13)CC2 ZINC001137193785 1006943725 /nfs/dbraw/zinc/94/37/25/1006943725.db2.gz DIKSMQIRRADPIK-UHFFFAOYSA-N 1 2 351.454 2.637 20 30 FFEDLO C[C@H]1C[N@H+](CCOC(=O)c2cn(CCCC#N)c3ccccc23)CCO1 ZINC000800216181 1007207983 /nfs/dbraw/zinc/20/79/83/1007207983.db2.gz NKAVKASHCYMALR-INIZCTEOSA-N 1 2 355.438 2.823 20 30 FFEDLO C[C@H]1C[N@@H+](CCOC(=O)c2cn(CCCC#N)c3ccccc23)CCO1 ZINC000800216181 1007207994 /nfs/dbraw/zinc/20/79/94/1007207994.db2.gz NKAVKASHCYMALR-INIZCTEOSA-N 1 2 355.438 2.823 20 30 FFEDLO CSc1ccc(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)cc1C#N ZINC000884643489 1007499869 /nfs/dbraw/zinc/49/98/69/1007499869.db2.gz JBEMVFPIELVAEX-UKRRQHHQSA-N 1 2 369.494 2.889 20 30 FFEDLO CSc1ccc(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)cc1C#N ZINC000884643489 1007499874 /nfs/dbraw/zinc/49/98/74/1007499874.db2.gz JBEMVFPIELVAEX-UKRRQHHQSA-N 1 2 369.494 2.889 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001190424940 1007636068 /nfs/dbraw/zinc/63/60/68/1007636068.db2.gz IPHUFDPXYASVMQ-KBXCAEBGSA-N 1 2 350.409 2.590 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2C[N@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001190424940 1007636074 /nfs/dbraw/zinc/63/60/74/1007636074.db2.gz IPHUFDPXYASVMQ-KBXCAEBGSA-N 1 2 350.409 2.590 20 30 FFEDLO N#Cc1cccc(C(=O)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c1F ZINC001190535981 1007684416 /nfs/dbraw/zinc/68/44/16/1007684416.db2.gz JOFHWOUUBDOCLY-HNNXBMFYSA-N 1 2 368.412 2.593 20 30 FFEDLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)/C=C\c2ccccc2C#N)C1 ZINC000856328416 1007772224 /nfs/dbraw/zinc/77/22/24/1007772224.db2.gz UKNYXMRHZDJAEJ-SSSWZJSRSA-N 1 2 374.488 2.504 20 30 FFEDLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)/C=C\c2ccccc2C#N)C1 ZINC000856328416 1007772234 /nfs/dbraw/zinc/77/22/34/1007772234.db2.gz UKNYXMRHZDJAEJ-SSSWZJSRSA-N 1 2 374.488 2.504 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCc2cc(C#N)ccc2F)cc1 ZINC000820335787 1008320377 /nfs/dbraw/zinc/32/03/77/1008320377.db2.gz UMFLODGQYFJJHF-IBGZPJMESA-N 1 2 353.397 2.597 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCc2cc(C#N)ccc2F)cc1 ZINC000820335787 1008320382 /nfs/dbraw/zinc/32/03/82/1008320382.db2.gz UMFLODGQYFJJHF-IBGZPJMESA-N 1 2 353.397 2.597 20 30 FFEDLO C#CCCN(CCOC)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000820919196 1008386393 /nfs/dbraw/zinc/38/63/93/1008386393.db2.gz MIIWINAYOYIXGA-KRWDZBQOSA-N 1 2 359.470 2.583 20 30 FFEDLO C=CCNC(=O)c1cccnc1-c1cc(C[NH+]2CCOCC2)ccc1OC ZINC001206497858 1032314263 /nfs/dbraw/zinc/31/42/63/1032314263.db2.gz WNLCQQOZPRVBEW-UHFFFAOYSA-N 1 2 367.449 2.505 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)/C=C\c2ccc(F)cc2)C[C@H](C)O1 ZINC001136421960 1008426392 /nfs/dbraw/zinc/42/63/92/1008426392.db2.gz HWGXRNKJYALFBV-WCGJLGJJSA-N 1 2 374.456 2.508 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)/C=C\c2ccc(F)cc2)C[C@H](C)O1 ZINC001136421960 1008426396 /nfs/dbraw/zinc/42/63/96/1008426396.db2.gz HWGXRNKJYALFBV-WCGJLGJJSA-N 1 2 374.456 2.508 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[C@H](C)C(C)C)C2)c1 ZINC001206544997 1032337404 /nfs/dbraw/zinc/33/74/04/1032337404.db2.gz ODPDOEZYSZRHFT-SQGPQFPESA-N 1 2 369.509 2.725 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C[C@H](C)C(C)C)C2)c1 ZINC001206544997 1032337414 /nfs/dbraw/zinc/33/74/14/1032337414.db2.gz ODPDOEZYSZRHFT-SQGPQFPESA-N 1 2 369.509 2.725 20 30 FFEDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000860174602 1008874293 /nfs/dbraw/zinc/87/42/93/1008874293.db2.gz ALOPPEYTQDOTFL-FQEVSTJZSA-N 1 2 370.497 2.541 20 30 FFEDLO CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000860174602 1008874307 /nfs/dbraw/zinc/87/43/07/1008874307.db2.gz ALOPPEYTQDOTFL-FQEVSTJZSA-N 1 2 370.497 2.541 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCOCC1)C2 ZINC001095368523 1009047151 /nfs/dbraw/zinc/04/71/51/1009047151.db2.gz FYKLMLDGXMUAHN-XCLNPWKQSA-N 1 2 353.466 2.596 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCOCC1)C2 ZINC001095368523 1009047162 /nfs/dbraw/zinc/04/71/62/1009047162.db2.gz FYKLMLDGXMUAHN-XCLNPWKQSA-N 1 2 353.466 2.596 20 30 FFEDLO CCOC(=O)C[N@H+](CCOc1ccccc1C#N)Cc1ccccc1O ZINC000823581541 1009118541 /nfs/dbraw/zinc/11/85/41/1009118541.db2.gz LQJJYCUKDUKXTM-UHFFFAOYSA-N 1 2 354.406 2.708 20 30 FFEDLO CCOC(=O)C[N@@H+](CCOc1ccccc1C#N)Cc1ccccc1O ZINC000823581541 1009118547 /nfs/dbraw/zinc/11/85/47/1009118547.db2.gz LQJJYCUKDUKXTM-UHFFFAOYSA-N 1 2 354.406 2.708 20 30 FFEDLO C=C1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)C[C@H]2C)CC1 ZINC001092940747 1009399561 /nfs/dbraw/zinc/39/95/61/1009399561.db2.gz ZPJCOMCKTOSUKD-NVXWUHKLSA-N 1 2 359.518 2.859 20 30 FFEDLO C=C1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)C[C@H]2C)CC1 ZINC001092940747 1009399580 /nfs/dbraw/zinc/39/95/80/1009399580.db2.gz ZPJCOMCKTOSUKD-NVXWUHKLSA-N 1 2 359.518 2.859 20 30 FFEDLO C#C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000825559404 1009488191 /nfs/dbraw/zinc/48/81/91/1009488191.db2.gz ZUHNUSPPOVAYFE-NRFANRHFSA-N 1 2 363.461 2.693 20 30 FFEDLO N#Cc1c(F)cccc1N1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001093085629 1009809288 /nfs/dbraw/zinc/80/92/88/1009809288.db2.gz SSXKLBFUPPTKBJ-XOBRGWDASA-N 1 2 367.428 2.528 20 30 FFEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccc(C#N)cn3)CC2)c1 ZINC000889223744 1009872277 /nfs/dbraw/zinc/87/22/77/1009872277.db2.gz KCVDYHZQTSFYBK-OAHLLOKOSA-N 1 2 365.437 2.873 20 30 FFEDLO C=CCC1(O)CCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000890241836 1010316368 /nfs/dbraw/zinc/31/63/68/1010316368.db2.gz DDNMGAIDLAXVCB-GOSISDBHSA-N 1 2 354.454 2.737 20 30 FFEDLO C[N@H+](CC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc21)[C@H]1CCSC1 ZINC000773979024 1010398746 /nfs/dbraw/zinc/39/87/46/1010398746.db2.gz DYKIVRZAZXPMOF-RDJZCZTQSA-N 1 2 367.474 2.924 20 30 FFEDLO C[N@@H+](CC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc21)[C@H]1CCSC1 ZINC000773979024 1010398759 /nfs/dbraw/zinc/39/87/59/1010398759.db2.gz DYKIVRZAZXPMOF-RDJZCZTQSA-N 1 2 367.474 2.924 20 30 FFEDLO C=C(C)C(=O)NCCCNC(=O)[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC001182223838 1010450065 /nfs/dbraw/zinc/45/00/65/1010450065.db2.gz LXFGJZFYLUTOAD-QGZVFWFLSA-N 1 2 365.905 2.922 20 30 FFEDLO CN(C)C(=O)COc1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cc1 ZINC000794696305 1010513332 /nfs/dbraw/zinc/51/33/32/1010513332.db2.gz UBAJNRRKIFDRTE-MDZDMXLPSA-N 1 2 373.478 2.568 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C(C)C)C[C@H]1C ZINC001206911498 1032492790 /nfs/dbraw/zinc/49/27/90/1032492790.db2.gz RYKHNNMTZWNHGX-YLJYHZDGSA-N 1 2 369.509 2.989 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C(C)C)C[C@H]1C ZINC001206911498 1032492794 /nfs/dbraw/zinc/49/27/94/1032492794.db2.gz RYKHNNMTZWNHGX-YLJYHZDGSA-N 1 2 369.509 2.989 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(C(C)C)c2)C[C@H]1C ZINC001206911187 1032493298 /nfs/dbraw/zinc/49/32/98/1032493298.db2.gz FZXDGMMVYNXWTP-YLJYHZDGSA-N 1 2 369.509 2.989 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C(C)C)c2)C[C@H]1C ZINC001206911187 1032493303 /nfs/dbraw/zinc/49/33/03/1032493303.db2.gz FZXDGMMVYNXWTP-YLJYHZDGSA-N 1 2 369.509 2.989 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cccc3c2CCOC3)[C@@H](C#N)C1 ZINC000866479588 1011001158 /nfs/dbraw/zinc/00/11/58/1011001158.db2.gz VWBZJWMONVPWSS-WMZOPIPTSA-N 1 2 357.454 2.608 20 30 FFEDLO C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2nncs2)CC3)cc1 ZINC001094484953 1011150815 /nfs/dbraw/zinc/15/08/15/1011150815.db2.gz HIGIOWJJYJJKFY-YLJYHZDGSA-N 1 2 366.490 2.694 20 30 FFEDLO C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@@H+](Cc2nncs2)CC3)cc1 ZINC001094484953 1011150819 /nfs/dbraw/zinc/15/08/19/1011150819.db2.gz HIGIOWJJYJJKFY-YLJYHZDGSA-N 1 2 366.490 2.694 20 30 FFEDLO CCCCCCC[C@H](CC)n1c[nH+]cc1C[C@H](NC(=O)CC[NH3+])C(=O)[O-] ZINC001172349516 1011777086 /nfs/dbraw/zinc/77/70/86/1011777086.db2.gz DSDSOAYGRYJLRD-RDJZCZTQSA-N 1 2 366.506 2.655 20 30 FFEDLO N#Cc1ccc(Nc2ccc(C[NH+]3CC(O)C3)cc2)c(Br)n1 ZINC001212665217 1011849439 /nfs/dbraw/zinc/84/94/39/1011849439.db2.gz CVFOICAPAJBZHQ-UHFFFAOYSA-N 1 2 359.227 2.636 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1)[C@@H](C)CC ZINC001172670675 1011947813 /nfs/dbraw/zinc/94/78/13/1011947813.db2.gz JEMFTSDUJVIHKN-HQRMLTQVSA-N 1 2 358.482 2.911 20 30 FFEDLO C[C@@H](Cc1c(F)cccc1Cl)[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001172858360 1012069452 /nfs/dbraw/zinc/06/94/52/1012069452.db2.gz USLBEBDNNBUPBP-ZDUSSCGKSA-N 1 2 359.836 2.894 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H](NCc2[nH+]cn3ccccc23)C[C@H]1C#N ZINC001172972755 1012141472 /nfs/dbraw/zinc/14/14/72/1012141472.db2.gz BZGUXVAKARXWCL-GJZGRUSLSA-N 1 2 355.442 2.716 20 30 FFEDLO C=CC[C@H]([NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)C(=O)OC ZINC001173007221 1012176119 /nfs/dbraw/zinc/17/61/19/1012176119.db2.gz FOALNMLDQIROCC-HNNXBMFYSA-N 1 2 369.368 2.549 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCO[C@H]2C)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000647403452 1012467478 /nfs/dbraw/zinc/46/74/78/1012467478.db2.gz KOUBEBYYIVEHDG-FUHWJXTLSA-N 1 2 371.485 2.662 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)c1cnccn1 ZINC001095122436 1012492186 /nfs/dbraw/zinc/49/21/86/1012492186.db2.gz CDMPTTMMEHXKLU-AOIWGVFYSA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)c1cnccn1 ZINC001095122436 1012492192 /nfs/dbraw/zinc/49/21/92/1012492192.db2.gz CDMPTTMMEHXKLU-AOIWGVFYSA-N 1 2 366.852 2.517 20 30 FFEDLO CCCCc1ncc(C[NH+]2CCC3(C[C@H]3C(=O)NCCCC#N)CC2)[nH]1 ZINC001275473491 1012507034 /nfs/dbraw/zinc/50/70/34/1012507034.db2.gz ZYGNJAHPLUPUGS-KRWDZBQOSA-N 1 2 357.502 2.774 20 30 FFEDLO C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3ncc(Cl)s3)C2)C1=O ZINC001275520094 1012572187 /nfs/dbraw/zinc/57/21/87/1012572187.db2.gz KQSQMFXUBKXEAE-INIZCTEOSA-N 1 2 353.875 2.714 20 30 FFEDLO C=C(C)CN1C(=O)C[C@]2(CCC[N@@H+](Cc3ncc(Cl)s3)C2)C1=O ZINC001275520094 1012572199 /nfs/dbraw/zinc/57/21/99/1012572199.db2.gz KQSQMFXUBKXEAE-INIZCTEOSA-N 1 2 353.875 2.714 20 30 FFEDLO Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)cn1 ZINC001095183251 1012664465 /nfs/dbraw/zinc/66/44/65/1012664465.db2.gz WGTYWNXVWUWONV-HOJAQTOUSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)cn1 ZINC001095183251 1012664469 /nfs/dbraw/zinc/66/44/69/1012664469.db2.gz WGTYWNXVWUWONV-HOJAQTOUSA-N 1 2 364.424 2.936 20 30 FFEDLO CCC[N@H+](CCC#N)[C@@H]1CN(C(=O)OC(C)(C)C)[C@](CC)(C(=O)OC)C1 ZINC001173536521 1012704398 /nfs/dbraw/zinc/70/43/98/1012704398.db2.gz NNOQFJDOJJOJGT-KXBFYZLASA-N 1 2 367.490 2.943 20 30 FFEDLO CCC[N@@H+](CCC#N)[C@@H]1CN(C(=O)OC(C)(C)C)[C@](CC)(C(=O)OC)C1 ZINC001173536521 1012704413 /nfs/dbraw/zinc/70/44/13/1012704413.db2.gz NNOQFJDOJJOJGT-KXBFYZLASA-N 1 2 367.490 2.943 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3n[nH]cc3Br)CC2)C1=O ZINC001275620351 1012715038 /nfs/dbraw/zinc/71/50/38/1012715038.db2.gz VIMQUIFXHNNXMC-INIZCTEOSA-N 1 2 367.291 2.563 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+](Cc3n[nH]cc3Br)CC2)C1=O ZINC001275620351 1012715048 /nfs/dbraw/zinc/71/50/48/1012715048.db2.gz VIMQUIFXHNNXMC-INIZCTEOSA-N 1 2 367.291 2.563 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3cc(Cl)ccc3Cl)C2)OCC1=O ZINC001275724921 1012927183 /nfs/dbraw/zinc/92/71/83/1012927183.db2.gz VBXCKETYSMOPBY-KRWDZBQOSA-N 1 2 355.265 2.983 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3cc(Cl)ccc3Cl)C2)OCC1=O ZINC001275724921 1012927194 /nfs/dbraw/zinc/92/71/94/1012927194.db2.gz VBXCKETYSMOPBY-KRWDZBQOSA-N 1 2 355.265 2.983 20 30 FFEDLO CCCn1nccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001097151026 1017109958 /nfs/dbraw/zinc/10/99/58/1017109958.db2.gz ZWCFEUISYTXNOH-XYPHTWIQSA-N 1 2 369.494 2.762 20 30 FFEDLO CCCn1nccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001097151026 1017109972 /nfs/dbraw/zinc/10/99/72/1017109972.db2.gz ZWCFEUISYTXNOH-XYPHTWIQSA-N 1 2 369.494 2.762 20 30 FFEDLO Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097192664 1017170149 /nfs/dbraw/zinc/17/01/49/1017170149.db2.gz JIVQWINJMBKWGF-OAGGEKHMSA-N 1 2 369.856 2.779 20 30 FFEDLO Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097192664 1017170153 /nfs/dbraw/zinc/17/01/53/1017170153.db2.gz JIVQWINJMBKWGF-OAGGEKHMSA-N 1 2 369.856 2.779 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2cscn2)C3)ccc1F ZINC001097984155 1017212512 /nfs/dbraw/zinc/21/25/12/1017212512.db2.gz VDXWGVHISUUXID-NXHRZFHOSA-N 1 2 370.453 2.618 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2cscn2)C3)ccc1F ZINC001097984155 1017212523 /nfs/dbraw/zinc/21/25/23/1017212523.db2.gz VDXWGVHISUUXID-NXHRZFHOSA-N 1 2 370.453 2.618 20 30 FFEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC001052027658 1017313851 /nfs/dbraw/zinc/31/38/51/1017313851.db2.gz IDWXUCHVHUVNJO-FKBYEOEOSA-N 1 2 367.537 2.975 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001057760357 1017406435 /nfs/dbraw/zinc/40/64/35/1017406435.db2.gz OXSAXXXUJUJMBY-WDYCEAGBSA-N 1 2 370.497 2.658 20 30 FFEDLO CC[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cccc(C#N)c1O ZINC000924706900 1017436006 /nfs/dbraw/zinc/43/60/06/1017436006.db2.gz QBAUNCIWXPUFHL-LJQANCHMSA-N 1 2 367.449 2.972 20 30 FFEDLO C=CCCC[C@@H]1NC(=O)N(C2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1=O ZINC000924710440 1017438044 /nfs/dbraw/zinc/43/80/44/1017438044.db2.gz LBBHIFQIFFVLMI-IBGZPJMESA-N 1 2 370.497 2.998 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c(OC)cccc1OC)C2 ZINC001097454752 1017489436 /nfs/dbraw/zinc/48/94/36/1017489436.db2.gz MRSNMHSQBQGEQI-BMFZPTHFSA-N 1 2 364.873 2.720 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c(OC)cccc1OC)C2 ZINC001097454752 1017489441 /nfs/dbraw/zinc/48/94/41/1017489441.db2.gz MRSNMHSQBQGEQI-BMFZPTHFSA-N 1 2 364.873 2.720 20 30 FFEDLO C=CCOc1cccnc1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000678786812 1017601534 /nfs/dbraw/zinc/60/15/34/1017601534.db2.gz QUDUVDLWUBUEBU-UHFFFAOYSA-N 1 2 353.422 2.731 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)c1csnn1 ZINC001097590908 1017683137 /nfs/dbraw/zinc/68/31/37/1017683137.db2.gz PTAKCWSOHLLSGN-INMHGKMJSA-N 1 2 372.881 2.578 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)c1csnn1 ZINC001097590908 1017683144 /nfs/dbraw/zinc/68/31/44/1017683144.db2.gz PTAKCWSOHLLSGN-INMHGKMJSA-N 1 2 372.881 2.578 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)nc(C(C)C)[nH]c1=O)C2 ZINC001097625718 1017721997 /nfs/dbraw/zinc/72/19/97/1017721997.db2.gz LFXUOPLRUZYEMF-MCIONIFRSA-N 1 2 364.877 2.702 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)nc(C(C)C)[nH]c1=O)C2 ZINC001097625718 1017722004 /nfs/dbraw/zinc/72/20/04/1017722004.db2.gz LFXUOPLRUZYEMF-MCIONIFRSA-N 1 2 364.877 2.702 20 30 FFEDLO Cc1cc(N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C(F)(F)F)nc(C2CC2)[nH+]1 ZINC001055606336 1017762066 /nfs/dbraw/zinc/76/20/66/1017762066.db2.gz GPDDPZWPDMQMLP-OASPWFOLSA-N 1 2 367.375 2.623 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cc(C(F)F)n[nH]1 ZINC001097823956 1017988628 /nfs/dbraw/zinc/98/86/28/1017988628.db2.gz MXUJCWQFABQMAN-RKVPGOIHSA-N 1 2 370.403 2.734 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cc(C(F)F)n[nH]1 ZINC001097823956 1017988634 /nfs/dbraw/zinc/98/86/34/1017988634.db2.gz MXUJCWQFABQMAN-RKVPGOIHSA-N 1 2 370.403 2.734 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001097879333 1018146682 /nfs/dbraw/zinc/14/66/82/1018146682.db2.gz MHGUSKPUFGJBEX-ZJXIFLPPSA-N 1 2 369.440 2.510 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001097879333 1018146688 /nfs/dbraw/zinc/14/66/88/1018146688.db2.gz MHGUSKPUFGJBEX-ZJXIFLPPSA-N 1 2 369.440 2.510 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2cccc(Cl)c2)O1 ZINC001097884992 1018185069 /nfs/dbraw/zinc/18/50/69/1018185069.db2.gz JHGSNNNTVZWTJC-MRBRGOBGSA-N 1 2 372.896 2.981 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2cccc(Cl)c2)O1 ZINC001097884992 1018185072 /nfs/dbraw/zinc/18/50/72/1018185072.db2.gz JHGSNNNTVZWTJC-MRBRGOBGSA-N 1 2 372.896 2.981 20 30 FFEDLO C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1CCNc1ccc(C#N)cn1 ZINC001053405367 1018286604 /nfs/dbraw/zinc/28/66/04/1018286604.db2.gz MBBNGFMQAWSSBK-GDBMZVCRSA-N 1 2 366.469 2.551 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[C@H](c3ccccc3)O1)O2 ZINC001053600497 1018381604 /nfs/dbraw/zinc/38/16/04/1018381604.db2.gz JPRFYCYXIDNWED-ZCNNSNEGSA-N 1 2 370.493 2.832 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCN(c2cccc(F)c2C#N)CC1 ZINC001058095143 1018480108 /nfs/dbraw/zinc/48/01/08/1018480108.db2.gz RJJQVQRUOGBYBU-HUUCEWRRSA-N 1 2 367.428 2.651 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCN(c2cccc(F)c2C#N)CC1 ZINC001058095143 1018480113 /nfs/dbraw/zinc/48/01/13/1018480113.db2.gz RJJQVQRUOGBYBU-HUUCEWRRSA-N 1 2 367.428 2.651 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1 ZINC001110932271 1018688972 /nfs/dbraw/zinc/68/89/72/1018688972.db2.gz LPRUPDFTSIODEO-NBYUQASBSA-N 1 2 369.509 2.627 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1 ZINC001110932271 1018688975 /nfs/dbraw/zinc/68/89/75/1018688975.db2.gz LPRUPDFTSIODEO-NBYUQASBSA-N 1 2 369.509 2.627 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC(C)(C)C ZINC001110933111 1018706894 /nfs/dbraw/zinc/70/68/94/1018706894.db2.gz GLFQLABYKCNFBH-TVFCKZIOSA-N 1 2 363.546 2.863 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC(C)(C)C ZINC001110933111 1018706902 /nfs/dbraw/zinc/70/69/02/1018706902.db2.gz GLFQLABYKCNFBH-TVFCKZIOSA-N 1 2 363.546 2.863 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1 ZINC001110934530 1018709847 /nfs/dbraw/zinc/70/98/47/1018709847.db2.gz HFHXADGGEHJCCJ-NBYUQASBSA-N 1 2 369.509 2.627 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1 ZINC001110934530 1018709857 /nfs/dbraw/zinc/70/98/57/1018709857.db2.gz HFHXADGGEHJCCJ-NBYUQASBSA-N 1 2 369.509 2.627 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1 ZINC001110934529 1018709984 /nfs/dbraw/zinc/70/99/84/1018709984.db2.gz HFHXADGGEHJCCJ-AFYVEPGGSA-N 1 2 369.509 2.627 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1 ZINC001110934529 1018709993 /nfs/dbraw/zinc/70/99/93/1018709993.db2.gz HFHXADGGEHJCCJ-AFYVEPGGSA-N 1 2 369.509 2.627 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001110936637 1018715101 /nfs/dbraw/zinc/71/51/01/1018715101.db2.gz YCEFAHRBBFAKLC-AXUOBQJMSA-N 1 2 373.541 2.615 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001110936637 1018715109 /nfs/dbraw/zinc/71/51/09/1018715109.db2.gz YCEFAHRBBFAKLC-AXUOBQJMSA-N 1 2 373.541 2.615 20 30 FFEDLO C[C@H](CC(=O)N1CC[C@H]2CN(c3cccc(F)c3C#N)C[C@H]21)n1cc[nH+]c1 ZINC001040843599 1018715832 /nfs/dbraw/zinc/71/58/32/1018715832.db2.gz BMIDTUFBQCXZBI-ZRGWGRIASA-N 1 2 367.428 2.582 20 30 FFEDLO CC(C)(C)/C=C/C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001217566075 1032785031 /nfs/dbraw/zinc/78/50/31/1032785031.db2.gz FUMAFWRWXSPRPF-ONNIGLJISA-N 1 2 352.478 2.552 20 30 FFEDLO CC(C)(C)/C=C/C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001217566075 1032785040 /nfs/dbraw/zinc/78/50/40/1032785040.db2.gz FUMAFWRWXSPRPF-ONNIGLJISA-N 1 2 352.478 2.552 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(OC)nn4)C[C@H]32)CCCC1 ZINC001222142521 1032785234 /nfs/dbraw/zinc/78/52/34/1032785234.db2.gz MJLWCNUELQCTMF-SJLPKXTDSA-N 1 2 370.497 2.654 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(OC)nn4)C[C@H]32)CCCC1 ZINC001222142521 1032785240 /nfs/dbraw/zinc/78/52/40/1032785240.db2.gz MJLWCNUELQCTMF-SJLPKXTDSA-N 1 2 370.497 2.654 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)c1ccncn1 ZINC001098064866 1019271041 /nfs/dbraw/zinc/27/10/41/1019271041.db2.gz MLFHSRTZPWCQQM-QRQLOZEOSA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)c1ccncn1 ZINC001098064866 1019271051 /nfs/dbraw/zinc/27/10/51/1019271051.db2.gz MLFHSRTZPWCQQM-QRQLOZEOSA-N 1 2 366.852 2.517 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cccc3)nc1)C2 ZINC001096202646 1019338265 /nfs/dbraw/zinc/33/82/65/1019338265.db2.gz BDZUBHFQIMSFRU-IKGGRYGDSA-N 1 2 356.857 2.960 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cccc3)nc1)C2 ZINC001096202646 1019338275 /nfs/dbraw/zinc/33/82/75/1019338275.db2.gz BDZUBHFQIMSFRU-IKGGRYGDSA-N 1 2 356.857 2.960 20 30 FFEDLO CC(C)[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000929361966 1019387845 /nfs/dbraw/zinc/38/78/45/1019387845.db2.gz AFGQTBCBXDIEEU-VQTJNVASSA-N 1 2 355.482 2.654 20 30 FFEDLO C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cccc(F)c2C#N)C1)n1cc[nH+]c1 ZINC001043543656 1019496125 /nfs/dbraw/zinc/49/61/25/1019496125.db2.gz QHPXHRBXSPSFNY-QWQRMKEZSA-N 1 2 355.417 2.804 20 30 FFEDLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)CCCOC1 ZINC001096251344 1019612769 /nfs/dbraw/zinc/61/27/69/1019612769.db2.gz COCJIPUWOOZNOK-AQCRLBJHSA-N 1 2 370.468 2.715 20 30 FFEDLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)CCCOC1 ZINC001096251344 1019612775 /nfs/dbraw/zinc/61/27/75/1019612775.db2.gz COCJIPUWOOZNOK-AQCRLBJHSA-N 1 2 370.468 2.715 20 30 FFEDLO CC[C@H](C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001217736304 1032851905 /nfs/dbraw/zinc/85/19/05/1032851905.db2.gz FPYBUDPOBDJYQL-ZOCIIQOWSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@H](C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001217736304 1032851919 /nfs/dbraw/zinc/85/19/19/1032851919.db2.gz FPYBUDPOBDJYQL-ZOCIIQOWSA-N 1 2 359.445 2.545 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000929927807 1019745798 /nfs/dbraw/zinc/74/57/98/1019745798.db2.gz WFDSAEYXMZHNQZ-OAHLLOKOSA-N 1 2 360.458 2.530 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cnoc1C1CC1 ZINC001096271441 1019761578 /nfs/dbraw/zinc/76/15/78/1019761578.db2.gz SCQPEZWBZAEMBS-HOJAQTOUSA-N 1 2 361.445 2.939 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cnoc1C1CC1 ZINC001096271441 1019761597 /nfs/dbraw/zinc/76/15/97/1019761597.db2.gz SCQPEZWBZAEMBS-HOJAQTOUSA-N 1 2 361.445 2.939 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1 ZINC000802141933 1019798787 /nfs/dbraw/zinc/79/87/87/1019798787.db2.gz NQYLMUZXVNCEFE-KRWDZBQOSA-N 1 2 352.438 2.820 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1 ZINC000802141933 1019798805 /nfs/dbraw/zinc/79/88/05/1019798805.db2.gz NQYLMUZXVNCEFE-KRWDZBQOSA-N 1 2 352.438 2.820 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C(=O)O[C@@H]3CC[N@@H+](CCF)C3)cc2)nc1 ZINC000802238523 1019922048 /nfs/dbraw/zinc/92/20/48/1019922048.db2.gz NGRMDRVZNCFFFU-QGZVFWFLSA-N 1 2 355.369 2.946 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C(=O)O[C@@H]3CC[N@H+](CCF)C3)cc2)nc1 ZINC000802238523 1019922054 /nfs/dbraw/zinc/92/20/54/1019922054.db2.gz NGRMDRVZNCFFFU-QGZVFWFLSA-N 1 2 355.369 2.946 20 30 FFEDLO C[C@@H](c1cccc(NC(=O)NCC#C[C@@H]2CCCCO2)c1)[NH+]1CCOCC1 ZINC000930229537 1019935604 /nfs/dbraw/zinc/93/56/04/1019935604.db2.gz QOWUBZOZAZQROC-PXNSSMCTSA-N 1 2 371.481 2.774 20 30 FFEDLO C#CCCCC(=O)N1CCO[C@@H]2C[N@@H+]([C@H](C)c3nc4ccccc4o3)C[C@@H]21 ZINC001217758716 1032864954 /nfs/dbraw/zinc/86/49/54/1032864954.db2.gz RKBZTJNSCKCGEW-HHXXYDBFSA-N 1 2 367.449 2.604 20 30 FFEDLO C#CCCCC(=O)N1CCO[C@@H]2C[N@H+]([C@H](C)c3nc4ccccc4o3)C[C@@H]21 ZINC001217758716 1032864969 /nfs/dbraw/zinc/86/49/69/1032864969.db2.gz RKBZTJNSCKCGEW-HHXXYDBFSA-N 1 2 367.449 2.604 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)C(C)C)CC1 ZINC001110987904 1020013433 /nfs/dbraw/zinc/01/34/33/1020013433.db2.gz KNAYITCSXURGBD-MLHJIOFPSA-N 1 2 361.530 2.615 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)C(C)C)CC1 ZINC001110987904 1020013444 /nfs/dbraw/zinc/01/34/44/1020013444.db2.gz KNAYITCSXURGBD-MLHJIOFPSA-N 1 2 361.530 2.615 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnc(OC)nc2C)CC1 ZINC001110988141 1020014302 /nfs/dbraw/zinc/01/43/02/1020014302.db2.gz RCAIOOVKOBYHQR-KURKYZTESA-N 1 2 370.497 2.762 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnc(OC)nc2C)CC1 ZINC001110988141 1020014317 /nfs/dbraw/zinc/01/43/17/1020014317.db2.gz RCAIOOVKOBYHQR-KURKYZTESA-N 1 2 370.497 2.762 20 30 FFEDLO COCC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001111428790 1020072900 /nfs/dbraw/zinc/07/29/00/1020072900.db2.gz LOTLEIVQJSLGQH-QVSURHGTSA-N 1 2 359.445 2.591 20 30 FFEDLO COCC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001111428790 1020072912 /nfs/dbraw/zinc/07/29/12/1020072912.db2.gz LOTLEIVQJSLGQH-QVSURHGTSA-N 1 2 359.445 2.591 20 30 FFEDLO N#Cc1cccnc1N[C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001045666327 1020082669 /nfs/dbraw/zinc/08/26/69/1020082669.db2.gz WDEUBVSYWGYDML-HZPDHXFCSA-N 1 2 360.421 2.754 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[C@H]2Nc2[nH+]cnc3c2cnn3C)C1 ZINC001045740511 1020110658 /nfs/dbraw/zinc/11/06/58/1020110658.db2.gz MPLSYPHNEFCBLB-HUUCEWRRSA-N 1 2 354.458 2.559 20 30 FFEDLO C#CC1(O)CC[NH+](Cc2nnc(-c3cc4ccccc4cc3OC)o2)CC1 ZINC000931151749 1020349404 /nfs/dbraw/zinc/34/94/04/1020349404.db2.gz RYIAFSOGTSMZAO-UHFFFAOYSA-N 1 2 363.417 2.859 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001073051389 1020354108 /nfs/dbraw/zinc/35/41/08/1020354108.db2.gz BNIPVULMQLAGSM-IAGOWNOFSA-N 1 2 370.497 2.779 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001073051389 1020354120 /nfs/dbraw/zinc/35/41/20/1020354120.db2.gz BNIPVULMQLAGSM-IAGOWNOFSA-N 1 2 370.497 2.779 20 30 FFEDLO C/C(=C\C(=O)N(Cc1ccc(C#N)cc1)CC(C)C)C[NH+]1CCOCC1 ZINC000900422792 1020412894 /nfs/dbraw/zinc/41/28/94/1020412894.db2.gz WFZDOCPTLOVTEY-LDADJPATSA-N 1 2 355.482 2.821 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]nc1C1CC1)C2 ZINC001098143432 1020460862 /nfs/dbraw/zinc/46/08/62/1020460862.db2.gz LXQYEBFBCBFKEW-QRQLOZEOSA-N 1 2 361.449 2.694 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]nc1C1CC1)C2 ZINC001098143432 1020460865 /nfs/dbraw/zinc/46/08/65/1020460865.db2.gz LXQYEBFBCBFKEW-QRQLOZEOSA-N 1 2 361.449 2.694 20 30 FFEDLO CC(=NNC(=S)NCCc1ccccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000726419824 1020464050 /nfs/dbraw/zinc/46/40/50/1020464050.db2.gz RWNHIBUVDSDLCI-UHFFFAOYSA-N 1 2 364.478 2.698 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC=C)CC1 ZINC000800780747 1020544396 /nfs/dbraw/zinc/54/43/96/1020544396.db2.gz GPZIHCICTDUABB-UHFFFAOYSA-N 1 2 374.448 2.541 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)cc2F)cn1 ZINC001098245488 1020759192 /nfs/dbraw/zinc/75/91/92/1020759192.db2.gz NZBCZQLUDZIZHD-RLLQIKCJSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)cc2F)cn1 ZINC001098245488 1020759199 /nfs/dbraw/zinc/75/91/99/1020759199.db2.gz NZBCZQLUDZIZHD-RLLQIKCJSA-N 1 2 367.399 2.876 20 30 FFEDLO C=CC[C@@]1(C(=O)NCc2[nH]c(C)c(C)[nH+]2)CCCN1C(=O)OC(C)(C)C ZINC000901000112 1020777722 /nfs/dbraw/zinc/77/77/22/1020777722.db2.gz KJISECPQMRSDKQ-IBGZPJMESA-N 1 2 362.474 2.989 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098319206 1020820624 /nfs/dbraw/zinc/82/06/24/1020820624.db2.gz BBZBRUWKKQEYQX-SKDZVZGDSA-N 1 2 358.486 2.562 20 30 FFEDLO C=CC[C@H]([NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)C(=O)OCC ZINC001116790614 1021417461 /nfs/dbraw/zinc/41/74/61/1021417461.db2.gz YDUDCWUPGTZQQE-JMLCCBQJSA-N 1 2 370.449 2.691 20 30 FFEDLO C=CC[C@@H]([NH2+]C1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OCC ZINC001116852547 1021454211 /nfs/dbraw/zinc/45/42/11/1021454211.db2.gz XTXIYFVCYODBSH-GOSISDBHSA-N 1 2 360.454 2.885 20 30 FFEDLO C=CCC[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1ccccc1 ZINC000934995495 1021514537 /nfs/dbraw/zinc/51/45/37/1021514537.db2.gz DDHGYKMGWRWNJB-AQNXPRMDSA-N 1 2 358.482 2.690 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)N[C@H](C)c2ccccc2C)cc1 ZINC000113249019 1021891151 /nfs/dbraw/zinc/89/11/51/1021891151.db2.gz AAWJDQYSIRQTPZ-HUUCEWRRSA-N 1 2 355.438 2.906 20 30 FFEDLO O=C(C(F)F)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC001099195959 1022058383 /nfs/dbraw/zinc/05/83/83/1022058383.db2.gz RZUYECVSBIIZFB-LDYMZIIASA-N 1 2 358.257 2.709 20 30 FFEDLO C[C@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC001099227483 1022124800 /nfs/dbraw/zinc/12/48/00/1022124800.db2.gz IISHGYYDENIHME-GLXFQSAKSA-N 1 2 361.314 2.603 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1 ZINC001017746346 1022292852 /nfs/dbraw/zinc/29/28/52/1022292852.db2.gz BQZHJBOAMDZHCV-JRSUCEMESA-N 1 2 365.477 2.549 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1 ZINC001017746346 1022292857 /nfs/dbraw/zinc/29/28/57/1022292857.db2.gz BQZHJBOAMDZHCV-JRSUCEMESA-N 1 2 365.477 2.549 20 30 FFEDLO Cc1nc(N2CCOCC2)sc1C=[NH+][N-]c1cc[nH+]c2ccccc12 ZINC001118579298 1022299127 /nfs/dbraw/zinc/29/91/27/1022299127.db2.gz CJBFBBAYRAKUEH-UHFFFAOYSA-N 1 2 353.451 2.704 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CCOCC1 ZINC001111198022 1022373903 /nfs/dbraw/zinc/37/39/03/1022373903.db2.gz DNHVIVSSAHDKJI-AQNXPRMDSA-N 1 2 367.493 2.987 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CCOCC1 ZINC001111198022 1022373919 /nfs/dbraw/zinc/37/39/19/1022373919.db2.gz DNHVIVSSAHDKJI-AQNXPRMDSA-N 1 2 367.493 2.987 20 30 FFEDLO CC(C)n1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C#CC(C)(C)C)C[C@@H]32)n1 ZINC001222646248 1033088751 /nfs/dbraw/zinc/08/87/51/1033088751.db2.gz XJAMYXYOVVTXFC-MJGOQNOKSA-N 1 2 356.514 2.936 20 30 FFEDLO CC(C)n1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C#CC(C)(C)C)C[C@@H]32)n1 ZINC001222646248 1033088764 /nfs/dbraw/zinc/08/87/64/1033088764.db2.gz XJAMYXYOVVTXFC-MJGOQNOKSA-N 1 2 356.514 2.936 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H]2CCC(C)(C)O2)CC1=O ZINC000189442126 1023281358 /nfs/dbraw/zinc/28/13/58/1023281358.db2.gz INTGMGZHRBYFAI-ZDUSSCGKSA-N 1 2 354.454 2.604 20 30 FFEDLO C=C(C)Cn1c(N2CCCC3(CCCC3)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001122482938 1023296673 /nfs/dbraw/zinc/29/66/73/1023296673.db2.gz PRTXWPLMWVFSES-XLIONFOSSA-N 1 2 373.545 2.926 20 30 FFEDLO C=C(C)Cn1c(N2CCCC3(CCCC3)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001122482938 1023296677 /nfs/dbraw/zinc/29/66/77/1023296677.db2.gz PRTXWPLMWVFSES-XLIONFOSSA-N 1 2 373.545 2.926 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001122538717 1023327204 /nfs/dbraw/zinc/32/72/04/1023327204.db2.gz CHXNVMYTQBWYLV-XDNAFOTISA-N 1 2 359.518 2.872 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001122538717 1023327210 /nfs/dbraw/zinc/32/72/10/1023327210.db2.gz CHXNVMYTQBWYLV-XDNAFOTISA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCN(c1nnc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC(=C)C)C1CC1 ZINC001122627513 1023377628 /nfs/dbraw/zinc/37/76/28/1023377628.db2.gz XPRBSZMTQOCHJO-ROUUACIJSA-N 1 2 357.502 2.935 20 30 FFEDLO C=CCN(c1nnc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC(=C)C)C1CC1 ZINC001122627513 1023377633 /nfs/dbraw/zinc/37/76/33/1023377633.db2.gz XPRBSZMTQOCHJO-ROUUACIJSA-N 1 2 357.502 2.935 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@H](C)[C@@H](F)C1 ZINC001122630465 1023378839 /nfs/dbraw/zinc/37/88/39/1023378839.db2.gz ZTXUUQQVJAEMST-ULQDDVLXSA-N 1 2 365.497 2.820 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@H](C)[C@@H](F)C1 ZINC001122630465 1023378844 /nfs/dbraw/zinc/37/88/44/1023378844.db2.gz ZTXUUQQVJAEMST-ULQDDVLXSA-N 1 2 365.497 2.820 20 30 FFEDLO C#CC[N@@H+](CC(=O)N1CC(=O)Nc2ccccc21)[C@H]1CCc2ccccc21 ZINC000076996693 1023510962 /nfs/dbraw/zinc/51/09/62/1023510962.db2.gz JMAVLWHEVYVSRI-IBGZPJMESA-N 1 2 359.429 2.594 20 30 FFEDLO C#CC[N@H+](CC(=O)N1CC(=O)Nc2ccccc21)[C@H]1CCc2ccccc21 ZINC000076996693 1023510967 /nfs/dbraw/zinc/51/09/67/1023510967.db2.gz JMAVLWHEVYVSRI-IBGZPJMESA-N 1 2 359.429 2.594 20 30 FFEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)[C@@H]2C1 ZINC000754796003 1023519707 /nfs/dbraw/zinc/51/97/07/1023519707.db2.gz LBUKHVDFIOWASW-MISYRCLQSA-N 1 2 352.438 2.648 20 30 FFEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)[C@@H]2C1 ZINC000754796003 1023519710 /nfs/dbraw/zinc/51/97/10/1023519710.db2.gz LBUKHVDFIOWASW-MISYRCLQSA-N 1 2 352.438 2.648 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1Cc1cccs1 ZINC001122950086 1023570601 /nfs/dbraw/zinc/57/06/01/1023570601.db2.gz GHPAJMWKURVHEE-RDJZCZTQSA-N 1 2 373.526 2.628 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1Cc1cccs1 ZINC001122950086 1023570609 /nfs/dbraw/zinc/57/06/09/1023570609.db2.gz GHPAJMWKURVHEE-RDJZCZTQSA-N 1 2 373.526 2.628 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001100747104 1023679609 /nfs/dbraw/zinc/67/96/09/1023679609.db2.gz WIHHFQZLMCMHMI-SJORKVTESA-N 1 2 358.486 2.586 20 30 FFEDLO COCCN(c1nnc(C2CC[NH+](CCC#N)CC2)n1C)[C@@H]1CC[C@H](C)C1 ZINC001121416012 1023761812 /nfs/dbraw/zinc/76/18/12/1023761812.db2.gz YBSORCCGOQJZLJ-FUHWJXTLSA-N 1 2 374.533 2.550 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000779388487 1023765768 /nfs/dbraw/zinc/76/57/68/1023765768.db2.gz MYECXCJMDRQEMF-AEFFLSMTSA-N 1 2 367.453 2.721 20 30 FFEDLO C=CCn1c(-c2ccc(C[NH+]3CCOCC3)cn2)nnc1N(C)CCCC ZINC001121503233 1023814708 /nfs/dbraw/zinc/81/47/08/1023814708.db2.gz FVKRGBSOPNQNOY-UHFFFAOYSA-N 1 2 370.501 2.595 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)[C@@H]1Cc2ccccc21 ZINC001123464271 1023815030 /nfs/dbraw/zinc/81/50/30/1023815030.db2.gz YWULPJDSBWIGBG-HXUWFJFHSA-N 1 2 367.470 2.815 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)Cc1c(C)nn(CC)c1C ZINC001121519689 1023823703 /nfs/dbraw/zinc/82/37/03/1023823703.db2.gz VOVSSFZYLMXWRF-UHFFFAOYSA-N 1 2 371.533 2.920 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC2(C[C@H]1C)CCOCC2 ZINC001121623249 1023886964 /nfs/dbraw/zinc/88/69/64/1023886964.db2.gz KNMVORNCEBZAIV-QGZVFWFLSA-N 1 2 359.518 2.845 20 30 FFEDLO C#CCOc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 ZINC000758036620 1023909941 /nfs/dbraw/zinc/90/99/41/1023909941.db2.gz SSUDBHNPJOHBQC-WMZOPIPTSA-N 1 2 355.438 2.547 20 30 FFEDLO C=C/C(C)=C\CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001218488918 1033178226 /nfs/dbraw/zinc/17/82/26/1033178226.db2.gz PMRGISSIFKRANM-YAKQSXFOSA-N 1 2 369.440 2.631 20 30 FFEDLO C=C/C(C)=C\CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001218488918 1033178234 /nfs/dbraw/zinc/17/82/34/1033178234.db2.gz PMRGISSIFKRANM-YAKQSXFOSA-N 1 2 369.440 2.631 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](Cc3cn(C(C)(C)C)nn3)C[C@@]2(C)C1 ZINC001101254496 1024211405 /nfs/dbraw/zinc/21/14/05/1024211405.db2.gz UUMDKGCUCQPQOH-UZLBHIALSA-N 1 2 359.518 2.670 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3cn(C(C)(C)C)nn3)C[C@@]2(C)C1 ZINC001101254496 1024211413 /nfs/dbraw/zinc/21/14/13/1024211413.db2.gz UUMDKGCUCQPQOH-UZLBHIALSA-N 1 2 359.518 2.670 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)c1cnco1 ZINC001095833700 1024211895 /nfs/dbraw/zinc/21/18/95/1024211895.db2.gz AGTZSKFTXVEPJH-IKGGRYGDSA-N 1 2 355.825 2.715 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)c1cnco1 ZINC001095833700 1024211909 /nfs/dbraw/zinc/21/19/09/1024211909.db2.gz AGTZSKFTXVEPJH-IKGGRYGDSA-N 1 2 355.825 2.715 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1oc3ccccc3c1C)C2 ZINC001111355975 1024315069 /nfs/dbraw/zinc/31/50/69/1024315069.db2.gz IHOFFKPLFWICBH-NXHRZFHOSA-N 1 2 352.434 2.726 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1oc3ccccc3c1C)C2 ZINC001111355975 1024315087 /nfs/dbraw/zinc/31/50/87/1024315087.db2.gz IHOFFKPLFWICBH-NXHRZFHOSA-N 1 2 352.434 2.726 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)o3)C[C@@]2(C)C1 ZINC001101333441 1024475618 /nfs/dbraw/zinc/47/56/18/1024475618.db2.gz WAAIRJQJWIVASB-KKVAFCGZSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)o3)C[C@@]2(C)C1 ZINC001101333441 1024475623 /nfs/dbraw/zinc/47/56/23/1024475623.db2.gz WAAIRJQJWIVASB-KKVAFCGZSA-N 1 2 358.486 2.830 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CCC4)no3)C[C@@]2(C)C1 ZINC001101346718 1024511777 /nfs/dbraw/zinc/51/17/77/1024511777.db2.gz DAIKPCWJZCRTAX-UZLBHIALSA-N 1 2 358.486 2.974 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CCC4)no3)C[C@@]2(C)C1 ZINC001101346718 1024511790 /nfs/dbraw/zinc/51/17/90/1024511790.db2.gz DAIKPCWJZCRTAX-UZLBHIALSA-N 1 2 358.486 2.974 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+]([C@H](C)c4nnc(CC)[nH]4)C[C@@]3(C)C2)CCC1 ZINC001101356242 1024534183 /nfs/dbraw/zinc/53/41/83/1024534183.db2.gz LVKTYRFGVQCMLE-QINHECLXSA-N 1 2 371.529 2.955 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+]([C@H](C)c4nnc(CC)[nH]4)C[C@@]3(C)C2)CCC1 ZINC001101356242 1024534194 /nfs/dbraw/zinc/53/41/94/1024534194.db2.gz LVKTYRFGVQCMLE-QINHECLXSA-N 1 2 371.529 2.955 20 30 FFEDLO COC(=O)c1csc(CO[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001223011766 1033239593 /nfs/dbraw/zinc/23/95/93/1033239593.db2.gz CZTAMQHLSQOLOU-OAHLLOKOSA-N 1 2 357.435 2.592 20 30 FFEDLO COC(=O)c1csc(CO[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001223011766 1033239607 /nfs/dbraw/zinc/23/96/07/1033239607.db2.gz CZTAMQHLSQOLOU-OAHLLOKOSA-N 1 2 357.435 2.592 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ncnn2CC(C)C)C[C@H]1C ZINC001102005049 1025285016 /nfs/dbraw/zinc/28/50/16/1025285016.db2.gz QUBCJKOGGLZPRZ-IAGOWNOFSA-N 1 2 361.534 2.721 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ncnn2CC(C)C)C[C@H]1C ZINC001102005049 1025285027 /nfs/dbraw/zinc/28/50/27/1025285027.db2.gz QUBCJKOGGLZPRZ-IAGOWNOFSA-N 1 2 361.534 2.721 20 30 FFEDLO Cc1ncc(CO[NH+]=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)cn1 ZINC000795216750 1025358803 /nfs/dbraw/zinc/35/88/03/1025358803.db2.gz KHNLPFXFOLZELO-UHFFFAOYSA-N 1 2 371.441 2.647 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1C ZINC001102263237 1025663331 /nfs/dbraw/zinc/66/33/31/1025663331.db2.gz ZJUJJMAOWGVOPG-OWCLPIDISA-N 1 2 361.534 2.889 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1C ZINC001102263237 1025663340 /nfs/dbraw/zinc/66/33/40/1025663340.db2.gz ZJUJJMAOWGVOPG-OWCLPIDISA-N 1 2 361.534 2.889 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2nn(C)cc2Cl)C[C@H]1C ZINC001102326035 1025752586 /nfs/dbraw/zinc/75/25/86/1025752586.db2.gz GBRHRPIKOYCHKD-LBTNJELSSA-N 1 2 352.910 2.860 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2nn(C)cc2Cl)C[C@H]1C ZINC001102326035 1025752601 /nfs/dbraw/zinc/75/26/01/1025752601.db2.gz GBRHRPIKOYCHKD-LBTNJELSSA-N 1 2 352.910 2.860 20 30 FFEDLO Cc1n[nH]c(C(=O)NCC[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)c1C ZINC001102806581 1026665845 /nfs/dbraw/zinc/66/58/45/1026665845.db2.gz VNXISLGSKIXABZ-RDTXWAMCSA-N 1 2 365.481 2.786 20 30 FFEDLO Cc1n[nH]c(C(=O)NCC[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)c1C ZINC001102806581 1026665847 /nfs/dbraw/zinc/66/58/47/1026665847.db2.gz VNXISLGSKIXABZ-RDTXWAMCSA-N 1 2 365.481 2.786 20 30 FFEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000839602887 1026754401 /nfs/dbraw/zinc/75/44/01/1026754401.db2.gz ZXKGGLXBJOZQPQ-MRXNPFEDSA-N 1 2 350.418 2.920 20 30 FFEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000839602887 1026754411 /nfs/dbraw/zinc/75/44/11/1026754411.db2.gz ZXKGGLXBJOZQPQ-MRXNPFEDSA-N 1 2 350.418 2.920 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](CN3C[C@@H]4CCC[C@H]4C3=O)CC2)c(F)c1 ZINC000840071243 1026943929 /nfs/dbraw/zinc/94/39/29/1026943929.db2.gz MVRUBCCOVAIOCY-DOTOQJQBSA-N 1 2 357.429 2.757 20 30 FFEDLO N#Cc1cnc(N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c(F)c1 ZINC001158586098 1027068746 /nfs/dbraw/zinc/06/87/46/1027068746.db2.gz OVNRTKBRVCHKHZ-FUHWJXTLSA-N 1 2 368.412 2.963 20 30 FFEDLO CO[C@@H]1C[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C12CCC2 ZINC000840703956 1027220578 /nfs/dbraw/zinc/22/05/78/1027220578.db2.gz LHRBAXPGVLJIIJ-DLBZAZTESA-N 1 2 366.465 2.604 20 30 FFEDLO C=C1CC(C)(C(=O)NCC[C@@H]2C[N@@H+](Cc3nc(C(F)F)no3)C[C@H]2C)C1 ZINC001103418803 1027440979 /nfs/dbraw/zinc/44/09/79/1027440979.db2.gz ZRAGOGHYZAKLNX-CHWSQXEVSA-N 1 2 368.428 2.938 20 30 FFEDLO C=C1CC(C)(C(=O)NCC[C@@H]2C[N@H+](Cc3nc(C(F)F)no3)C[C@H]2C)C1 ZINC001103418803 1027440992 /nfs/dbraw/zinc/44/09/92/1027440992.db2.gz ZRAGOGHYZAKLNX-CHWSQXEVSA-N 1 2 368.428 2.938 20 30 FFEDLO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNc1cccc[nH+]1 ZINC001160478380 1027724844 /nfs/dbraw/zinc/72/48/44/1027724844.db2.gz BNVGCEUTCDOEBS-OAHLLOKOSA-N 1 2 362.474 2.859 20 30 FFEDLO C#CCCN1CCC[C@H](Nc2cc([C@@H](CC(=O)OC)C3CC3)cc[nH+]2)C1=O ZINC001160899478 1027915836 /nfs/dbraw/zinc/91/58/36/1027915836.db2.gz GILJZLMNIIDSHN-ROUUACIJSA-N 1 2 369.465 2.565 20 30 FFEDLO N#Cc1cncc(NCc2c[nH+]cn2Cc2ccccc2Br)n1 ZINC001161520272 1028210375 /nfs/dbraw/zinc/21/03/75/1028210375.db2.gz XJQURXODBZQZTO-UHFFFAOYSA-N 1 2 369.226 2.968 20 30 FFEDLO O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)c1cccc2[nH+]ccn21 ZINC001154525952 1028337880 /nfs/dbraw/zinc/33/78/80/1028337880.db2.gz GAOCWHJUKIIDJL-UHFFFAOYSA-N 1 2 351.749 2.594 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000957595928 1028386526 /nfs/dbraw/zinc/38/65/26/1028386526.db2.gz LBRKMJPBJKLFHT-CXAGYDPISA-N 1 2 354.454 2.742 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2noc(C(C)(C)C)n2)C1 ZINC001104124207 1028589576 /nfs/dbraw/zinc/58/95/76/1028589576.db2.gz CTHSQQWHQNEFEH-HZPDHXFCSA-N 1 2 360.502 2.745 20 30 FFEDLO COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCN(c2ccccc2C#N)CC1 ZINC001163615920 1028992788 /nfs/dbraw/zinc/99/27/88/1028992788.db2.gz ABFCSJNQJVJXQO-BQYQJAHWSA-N 1 2 362.433 2.775 20 30 FFEDLO Cc1cccc(-c2cc(C(F)(F)N3CC[NH2+]C[C@@H]3C#N)c(Cl)nn2)c1 ZINC001156333199 1029150808 /nfs/dbraw/zinc/15/08/08/1029150808.db2.gz WMSDFIXGLBCFJN-ZDUSSCGKSA-N 1 2 363.799 2.952 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2nccc3cc(Br)ccc32)CC1 ZINC001156443759 1029195801 /nfs/dbraw/zinc/19/58/01/1029195801.db2.gz CLARCNIKHVVLNK-UHFFFAOYSA-N 1 2 360.255 2.941 20 30 FFEDLO N#Cc1ccc(CCNc2cc(-c3cc4c([nH]3)CCNC4=O)cc[nH+]2)cc1 ZINC001156835417 1029370346 /nfs/dbraw/zinc/37/03/46/1029370346.db2.gz QXOYZEPGGRUXJM-UHFFFAOYSA-N 1 2 357.417 2.889 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C(C)C)n1C)C2 ZINC001111764082 1029379811 /nfs/dbraw/zinc/37/98/11/1029379811.db2.gz XUSRMPZHVJCBMP-JXFKEZNVSA-N 1 2 359.518 2.766 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C(C)C)n1C)C2 ZINC001111764082 1029379817 /nfs/dbraw/zinc/37/98/17/1029379817.db2.gz XUSRMPZHVJCBMP-JXFKEZNVSA-N 1 2 359.518 2.766 20 30 FFEDLO N#Cc1ccc(CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)nc1 ZINC000782038278 1029536516 /nfs/dbraw/zinc/53/65/16/1029536516.db2.gz DPIULMKHRYCTSF-UHFFFAOYSA-N 1 2 362.393 2.550 20 30 FFEDLO CCOC(=O)[C@@]12CCO[C@@H]1CCN(c1[nH+]ccc3ccc(C#N)cc31)C2 ZINC001165374790 1029959890 /nfs/dbraw/zinc/95/98/90/1029959890.db2.gz PUFNZXOEGNOQOZ-YLJYHZDGSA-N 1 2 351.406 2.655 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cc(C)no2)C1 ZINC001112083498 1029967695 /nfs/dbraw/zinc/96/76/95/1029967695.db2.gz BLRUSCJRCWUDOI-HUUCEWRRSA-N 1 2 357.376 2.656 20 30 FFEDLO O=C(C(F)C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C/C=C/Cl)C1 ZINC001112104403 1030014641 /nfs/dbraw/zinc/01/46/41/1030014641.db2.gz HPXFWIDFFFMLME-GMCWOFSTSA-N 1 2 356.669 2.618 20 30 FFEDLO Cc1cc(C#N)cc(N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)n1 ZINC001165740202 1030105508 /nfs/dbraw/zinc/10/55/08/1030105508.db2.gz ADDYQZLIIIJHGM-QGZVFWFLSA-N 1 2 360.421 2.569 20 30 FFEDLO N#Cc1cc(Cl)cc(N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)n1 ZINC001165986937 1030189223 /nfs/dbraw/zinc/18/92/23/1030189223.db2.gz HAGAIUOSGRVDOV-UHFFFAOYSA-N 1 2 369.856 2.877 20 30 FFEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCc4onc(COc5ccccn5)c4C3)c12 ZINC001166325753 1030363609 /nfs/dbraw/zinc/36/36/09/1030363609.db2.gz GOHDHUVHLGZCTJ-UHFFFAOYSA-N 1 2 372.388 2.959 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(F)c(F)ccc1OCC ZINC001276406659 1030626347 /nfs/dbraw/zinc/62/63/47/1030626347.db2.gz HVUWZJFBBNHLAX-FQEVSTJZSA-N 1 2 362.420 2.954 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(F)c(F)ccc1OCC ZINC001276406659 1030626357 /nfs/dbraw/zinc/62/63/57/1030626357.db2.gz HVUWZJFBBNHLAX-FQEVSTJZSA-N 1 2 362.420 2.954 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(OC)cc(C(F)(F)F)c2)C1=O ZINC001276409970 1030687035 /nfs/dbraw/zinc/68/70/35/1030687035.db2.gz VBUVJLHUIULDGT-SFHVURJKSA-N 1 2 366.383 2.914 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(OC)cc(C(F)(F)F)c2)C1=O ZINC001276409970 1030687043 /nfs/dbraw/zinc/68/70/43/1030687043.db2.gz VBUVJLHUIULDGT-SFHVURJKSA-N 1 2 366.383 2.914 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CCCn3nnc(COc4cccnc4)c3C2)c1 ZINC001203758452 1030867845 /nfs/dbraw/zinc/86/78/45/1030867845.db2.gz YVEHEGNBDARMQQ-UHFFFAOYSA-N 1 2 360.421 2.530 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CCCn3nnc(COc4cccnc4)c3C2)c1 ZINC001203758452 1030867869 /nfs/dbraw/zinc/86/78/69/1030867869.db2.gz YVEHEGNBDARMQQ-UHFFFAOYSA-N 1 2 360.421 2.530 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCCNc1ncccc1C#N ZINC000796682404 1030879609 /nfs/dbraw/zinc/87/96/09/1030879609.db2.gz AEBWCAKUYWQUBO-UHFFFAOYSA-N 1 2 371.347 2.545 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCn3nnc(COc4cccnc4)c3C2)cc1 ZINC001203903429 1030971204 /nfs/dbraw/zinc/97/12/04/1030971204.db2.gz TZWHTFRITZERRK-UHFFFAOYSA-N 1 2 360.421 2.530 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCn3nnc(COc4cccnc4)c3C2)cc1 ZINC001203903429 1030971221 /nfs/dbraw/zinc/97/12/21/1030971221.db2.gz TZWHTFRITZERRK-UHFFFAOYSA-N 1 2 360.421 2.530 20 30 FFEDLO COC(=O)C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001203906018 1030972756 /nfs/dbraw/zinc/97/27/56/1030972756.db2.gz JFONGTMQXMXYGG-OAQYLSRUSA-N 1 2 363.461 2.808 20 30 FFEDLO COC(=O)C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001203906018 1030972770 /nfs/dbraw/zinc/97/27/70/1030972770.db2.gz JFONGTMQXMXYGG-OAQYLSRUSA-N 1 2 363.461 2.808 20 30 FFEDLO C[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(N2CCNC2=O)cc1 ZINC000829757787 1033324563 /nfs/dbraw/zinc/32/45/63/1033324563.db2.gz IIKIVXXHCYLNSR-CYBMUJFWSA-N 1 2 365.393 2.847 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CC4)n3C)[C@H]2C1 ZINC001223315415 1033386730 /nfs/dbraw/zinc/38/67/30/1033386730.db2.gz OVZJAVMZQDYXEM-NUJGCVRESA-N 1 2 371.529 2.718 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C)[C@H]2C1 ZINC001223315415 1033386741 /nfs/dbraw/zinc/38/67/41/1033386741.db2.gz OVZJAVMZQDYXEM-NUJGCVRESA-N 1 2 371.529 2.718 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3CC)[C@H]2C1 ZINC001223338373 1033401383 /nfs/dbraw/zinc/40/13/83/1033401383.db2.gz NUZFUKWUAGRWLQ-KSZLIROESA-N 1 2 359.518 2.632 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3CC)[C@H]2C1 ZINC001223338373 1033401387 /nfs/dbraw/zinc/40/13/87/1033401387.db2.gz NUZFUKWUAGRWLQ-KSZLIROESA-N 1 2 359.518 2.632 20 30 FFEDLO N#CCC[NH+]1CCC2(CCC(=O)N(CCC(=O)c3ccccc3)C2)CC1 ZINC001276949544 1033733892 /nfs/dbraw/zinc/73/38/92/1033733892.db2.gz SWKMQCSLFKEYOP-UHFFFAOYSA-N 1 2 353.466 2.878 20 30 FFEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cnc(C(F)(F)F)s1)CC2 ZINC001276968152 1033866708 /nfs/dbraw/zinc/86/67/08/1033866708.db2.gz YFPGDXRZGLPZQB-LBPRGKRZSA-N 1 2 357.401 2.513 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)C[C@@H]1O ZINC001220133748 1034000655 /nfs/dbraw/zinc/00/06/55/1034000655.db2.gz MRRATWNEARZCGX-SJORKVTESA-N 1 2 350.890 2.912 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)C[C@@H]1O ZINC001220133748 1034000670 /nfs/dbraw/zinc/00/06/70/1034000670.db2.gz MRRATWNEARZCGX-SJORKVTESA-N 1 2 350.890 2.912 20 30 FFEDLO CCCCC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001220497511 1034220688 /nfs/dbraw/zinc/22/06/88/1034220688.db2.gz AKJUHWCQRDACNI-AHRSYUTCSA-N 1 2 357.498 2.826 20 30 FFEDLO CCCCC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001220497511 1034220700 /nfs/dbraw/zinc/22/07/00/1034220700.db2.gz AKJUHWCQRDACNI-AHRSYUTCSA-N 1 2 357.498 2.826 20 30 FFEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ncccc1O)CC2 ZINC001138391341 1034228316 /nfs/dbraw/zinc/22/83/16/1034228316.db2.gz UIOTZOIGTXPAGE-UHFFFAOYSA-N 1 2 354.454 2.655 20 30 FFEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ncccc1O)CC2 ZINC001138391341 1034228322 /nfs/dbraw/zinc/22/83/22/1034228322.db2.gz UIOTZOIGTXPAGE-UHFFFAOYSA-N 1 2 354.454 2.655 20 30 FFEDLO Cc1c(C[NH+]2CCN(c3nccnc3C#N)CC2)[nH]c2ccc(F)cc12 ZINC001138412722 1034249390 /nfs/dbraw/zinc/24/93/90/1034249390.db2.gz IJBFSCGNIWZOSS-UHFFFAOYSA-N 1 2 350.401 2.599 20 30 FFEDLO N#CCCCN1CC[C@@]2(CC[N@H+](Cc3cc(Cl)c(O)cc3F)C2)C1=O ZINC001277057457 1034327904 /nfs/dbraw/zinc/32/79/04/1034327904.db2.gz QVSXGFAUNIWJBT-GOSISDBHSA-N 1 2 365.836 2.913 20 30 FFEDLO O=C(CCCC1CCCCC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220908764 1034452822 /nfs/dbraw/zinc/45/28/22/1034452822.db2.gz UVWDOYWXMGSGOV-YADHBBJMSA-N 1 2 368.521 2.950 20 30 FFEDLO O=C(CCCC1CCCCC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220908764 1034452826 /nfs/dbraw/zinc/45/28/26/1034452826.db2.gz UVWDOYWXMGSGOV-YADHBBJMSA-N 1 2 368.521 2.950 20 30 FFEDLO C=CCc1cccc(C[N@@H+]2CCCn3c(Cn4cccc4)nnc3C2)c1O ZINC001138628084 1034481097 /nfs/dbraw/zinc/48/10/97/1034481097.db2.gz SMVXNQGTWIULBU-UHFFFAOYSA-N 1 2 363.465 2.968 20 30 FFEDLO C=CCc1cccc(C[N@H+]2CCCn3c(Cn4cccc4)nnc3C2)c1O ZINC001138628084 1034481101 /nfs/dbraw/zinc/48/11/01/1034481101.db2.gz SMVXNQGTWIULBU-UHFFFAOYSA-N 1 2 363.465 2.968 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cnc2cccc(Cl)n12 ZINC001277111360 1034592227 /nfs/dbraw/zinc/59/22/27/1034592227.db2.gz PSVDGEHBDHDOBL-IBGZPJMESA-N 1 2 356.857 2.578 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cnc2cccc(Cl)n12 ZINC001277111360 1034592233 /nfs/dbraw/zinc/59/22/33/1034592233.db2.gz PSVDGEHBDHDOBL-IBGZPJMESA-N 1 2 356.857 2.578 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(F)(F)C(F)F ZINC001226315735 1034626550 /nfs/dbraw/zinc/62/65/50/1034626550.db2.gz BSORXRVTQMNXRB-SYQHCUMBSA-N 1 2 366.399 2.885 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)c3ccc(F)cc3F)C[C@H]21 ZINC001221436471 1034759835 /nfs/dbraw/zinc/75/98/35/1034759835.db2.gz YZGVTSYMXXGGKF-PMUMKWKESA-N 1 2 350.409 2.761 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)c3ccc(F)cc3F)C[C@H]21 ZINC001221436471 1034759846 /nfs/dbraw/zinc/75/98/46/1034759846.db2.gz YZGVTSYMXXGGKF-PMUMKWKESA-N 1 2 350.409 2.761 20 30 FFEDLO CO[C@H](C)CCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221500424 1034825332 /nfs/dbraw/zinc/82/53/32/1034825332.db2.gz ZUFAGCVGYMYHBR-LSBZLQRGSA-N 1 2 359.445 2.545 20 30 FFEDLO CO[C@H](C)CCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221500424 1034825345 /nfs/dbraw/zinc/82/53/45/1034825345.db2.gz ZUFAGCVGYMYHBR-LSBZLQRGSA-N 1 2 359.445 2.545 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccn(-c4ccccc4)n3)C[C@H]21 ZINC001221512583 1034830358 /nfs/dbraw/zinc/83/03/58/1034830358.db2.gz HHCXCVRDCQDZNC-WIYYLYMNSA-N 1 2 362.477 2.709 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccn(-c4ccccc4)n3)C[C@H]21 ZINC001221512583 1034830371 /nfs/dbraw/zinc/83/03/71/1034830371.db2.gz HHCXCVRDCQDZNC-WIYYLYMNSA-N 1 2 362.477 2.709 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)c3nc(-c4ccco4)no3)C[C@H]21 ZINC001221512544 1034830789 /nfs/dbraw/zinc/83/07/89/1034830789.db2.gz FSMIHDYLOFPRLP-ARFHVFGLSA-N 1 2 368.437 2.727 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)c3nc(-c4ccco4)no3)C[C@H]21 ZINC001221512544 1034830791 /nfs/dbraw/zinc/83/07/91/1034830791.db2.gz FSMIHDYLOFPRLP-ARFHVFGLSA-N 1 2 368.437 2.727 20 30 FFEDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3CN(C(=O)C#CC(C)C)[C@@H]3C2)c1 ZINC001221530802 1034848848 /nfs/dbraw/zinc/84/88/48/1034848848.db2.gz ZXTDATXUEKCEQB-NLWGTHIKSA-N 1 2 367.493 2.514 20 30 FFEDLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3CN(C(=O)C#CC(C)C)[C@@H]3C2)c1 ZINC001221530802 1034848863 /nfs/dbraw/zinc/84/88/63/1034848863.db2.gz ZXTDATXUEKCEQB-NLWGTHIKSA-N 1 2 367.493 2.514 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@H](C)CCC)C[C@H]21 ZINC001221573810 1034888014 /nfs/dbraw/zinc/88/80/14/1034888014.db2.gz YHIAPWPCUJBVIV-FVQBIDKESA-N 1 2 369.937 2.603 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@H](C)CCC)C[C@H]21 ZINC001221573810 1034888016 /nfs/dbraw/zinc/88/80/16/1034888016.db2.gz YHIAPWPCUJBVIV-FVQBIDKESA-N 1 2 369.937 2.603 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)c3ccccc3)C[C@H]21 ZINC001221578224 1034891966 /nfs/dbraw/zinc/89/19/66/1034891966.db2.gz XWKNQMSUAMUPKE-IEBWSBKVSA-N 1 2 369.509 2.784 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)c3ccccc3)C[C@H]21 ZINC001221578224 1034891968 /nfs/dbraw/zinc/89/19/68/1034891968.db2.gz XWKNQMSUAMUPKE-IEBWSBKVSA-N 1 2 369.509 2.784 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)Cc3ccccc3)CC2)c1 ZINC001139650058 1035190280 /nfs/dbraw/zinc/19/02/80/1035190280.db2.gz QQFXPSIDOXLSGZ-UHFFFAOYSA-N 1 2 351.425 2.974 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)Cc3ccccc3)CC2)c1 ZINC001139650058 1035190285 /nfs/dbraw/zinc/19/02/85/1035190285.db2.gz QQFXPSIDOXLSGZ-UHFFFAOYSA-N 1 2 351.425 2.974 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1Cc1c(C)cc(O)cc1C ZINC001139709765 1035203708 /nfs/dbraw/zinc/20/37/08/1035203708.db2.gz JUEDAXMAQKJIAN-LJQANCHMSA-N 1 2 356.470 2.922 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1Cc1c(C)cc(O)cc1C ZINC001139709765 1035203711 /nfs/dbraw/zinc/20/37/11/1035203711.db2.gz JUEDAXMAQKJIAN-LJQANCHMSA-N 1 2 356.470 2.922 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CCNC(=O)OC(C)(C)C)C2)cc1C#N ZINC001139722884 1035208347 /nfs/dbraw/zinc/20/83/47/1035208347.db2.gz KFYQKFUNFCQVAS-GOSISDBHSA-N 1 2 359.470 2.982 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@H](CCNC(=O)OC(C)(C)C)C2)cc1C#N ZINC001139722884 1035208348 /nfs/dbraw/zinc/20/83/48/1035208348.db2.gz KFYQKFUNFCQVAS-GOSISDBHSA-N 1 2 359.470 2.982 20 30 FFEDLO CC[N@H+](CCC#N)Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1 ZINC001140569682 1035645136 /nfs/dbraw/zinc/64/51/36/1035645136.db2.gz WHULCRQUGZUQDB-UHFFFAOYSA-N 1 2 365.890 2.917 20 30 FFEDLO CC[N@@H+](CCC#N)Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1 ZINC001140569682 1035645142 /nfs/dbraw/zinc/64/51/42/1035645142.db2.gz WHULCRQUGZUQDB-UHFFFAOYSA-N 1 2 365.890 2.917 20 30 FFEDLO CCN(Cc1cc(C#N)ccn1)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001232482181 1035726990 /nfs/dbraw/zinc/72/69/90/1035726990.db2.gz RYLCWUQDTSDKOX-OAQYLSRUSA-N 1 2 350.466 2.676 20 30 FFEDLO CCN(Cc1cc(C#N)ccn1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001232482181 1035727008 /nfs/dbraw/zinc/72/70/08/1035727008.db2.gz RYLCWUQDTSDKOX-OAQYLSRUSA-N 1 2 350.466 2.676 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(Cl)c1 ZINC001232578034 1035833346 /nfs/dbraw/zinc/83/33/46/1035833346.db2.gz JWTNGGYWGCNQDM-UHFFFAOYSA-N 1 2 370.840 2.715 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cnc(Cl)c(F)c1 ZINC001277260760 1035868376 /nfs/dbraw/zinc/86/83/76/1035868376.db2.gz LSOBULZZGAAECV-HUUCEWRRSA-N 1 2 350.825 2.743 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnc(Cl)c(F)c1 ZINC001277260760 1035868392 /nfs/dbraw/zinc/86/83/92/1035868392.db2.gz LSOBULZZGAAECV-HUUCEWRRSA-N 1 2 350.825 2.743 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1cccc2c1CCCC2 ZINC001232635569 1035892817 /nfs/dbraw/zinc/89/28/17/1035892817.db2.gz LMVHRSNCIBWXPX-FQEVSTJZSA-N 1 2 352.482 2.996 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1cccc2c1CCCC2 ZINC001232635569 1035892836 /nfs/dbraw/zinc/89/28/36/1035892836.db2.gz LMVHRSNCIBWXPX-FQEVSTJZSA-N 1 2 352.482 2.996 20 30 FFEDLO CC[C@@H]1[N@H+](Cc2cc(C#N)ccc2O)CCC[C@]12CCC(=O)N2CCOC ZINC001232677336 1035936226 /nfs/dbraw/zinc/93/62/26/1035936226.db2.gz KYPJFSLJJQJRGW-FPOVZHCZSA-N 1 2 371.481 2.646 20 30 FFEDLO CC[C@@H]1[N@@H+](Cc2cc(C#N)ccc2O)CCC[C@]12CCC(=O)N2CCOC ZINC001232677336 1035936234 /nfs/dbraw/zinc/93/62/34/1035936234.db2.gz KYPJFSLJJQJRGW-FPOVZHCZSA-N 1 2 371.481 2.646 20 30 FFEDLO CCOC(=O)c1ccc(N2CC[NH+](Cc3cc(C#N)ccc3O)CC2)cc1 ZINC001232677728 1035937697 /nfs/dbraw/zinc/93/76/97/1035937697.db2.gz IJTOTYLMHLKRRY-UHFFFAOYSA-N 1 2 365.433 2.763 20 30 FFEDLO N#Cc1cc(C[NH+]2CCC(N3CCOC3=O)CC2)ccc1Br ZINC001232898258 1036139109 /nfs/dbraw/zinc/13/91/09/1036139109.db2.gz CBUGAGTTYHWOIX-UHFFFAOYSA-N 1 2 364.243 2.737 20 30 FFEDLO C=CC1(CC(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCCC1 ZINC001536418198 1069975955 /nfs/dbraw/zinc/97/59/55/1069975955.db2.gz GWKLQVMRTWQAIL-IAGOWNOFSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CC1(CC(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCCC1 ZINC001536418198 1069975964 /nfs/dbraw/zinc/97/59/64/1069975964.db2.gz GWKLQVMRTWQAIL-IAGOWNOFSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC001228515764 1036154035 /nfs/dbraw/zinc/15/40/35/1036154035.db2.gz BLPGCEXKUROALO-QRVBRYPASA-N 1 2 361.461 2.948 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140814993 1036219093 /nfs/dbraw/zinc/21/90/93/1036219093.db2.gz XKMMXCKFQVFAJH-LSDHHAIUSA-N 1 2 365.861 2.672 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140814993 1036219113 /nfs/dbraw/zinc/21/91/13/1036219113.db2.gz XKMMXCKFQVFAJH-LSDHHAIUSA-N 1 2 365.861 2.672 20 30 FFEDLO COCCC[N@H+](Cc1[nH]ccc1C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001233049360 1036296489 /nfs/dbraw/zinc/29/64/89/1036296489.db2.gz MJKUTPPMSROIGF-MRXNPFEDSA-N 1 2 362.474 2.734 20 30 FFEDLO COCCC[N@@H+](Cc1[nH]ccc1C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001233049360 1036296496 /nfs/dbraw/zinc/29/64/96/1036296496.db2.gz MJKUTPPMSROIGF-MRXNPFEDSA-N 1 2 362.474 2.734 20 30 FFEDLO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)c(F)c1C#N ZINC001233101471 1036347544 /nfs/dbraw/zinc/34/75/44/1036347544.db2.gz ZGPTYVCFHMSJMD-SFHVURJKSA-N 1 2 358.461 2.740 20 30 FFEDLO CN(C)c1ccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCCC2)c(F)c1C#N ZINC001233101471 1036347560 /nfs/dbraw/zinc/34/75/60/1036347560.db2.gz ZGPTYVCFHMSJMD-SFHVURJKSA-N 1 2 358.461 2.740 20 30 FFEDLO CN(C)c1ccc(C[N@H+]2C[C@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)c(F)c1C#N ZINC001233102995 1036349998 /nfs/dbraw/zinc/34/99/98/1036349998.db2.gz WCDYYPMJDQWVJM-PBHICJAKSA-N 1 2 374.460 2.814 20 30 FFEDLO CN(C)c1ccc(C[N@@H+]2C[C@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)c(F)c1C#N ZINC001233102995 1036350015 /nfs/dbraw/zinc/35/00/15/1036350015.db2.gz WCDYYPMJDQWVJM-PBHICJAKSA-N 1 2 374.460 2.814 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(F)c(OC)ccc1OC ZINC001277358318 1036513119 /nfs/dbraw/zinc/51/31/19/1036513119.db2.gz UTWANYXMKNMAFV-HXUWFJFHSA-N 1 2 362.445 2.986 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(F)c(OC)ccc1OC ZINC001277358318 1036513131 /nfs/dbraw/zinc/51/31/31/1036513131.db2.gz UTWANYXMKNMAFV-HXUWFJFHSA-N 1 2 362.445 2.986 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)c(O)c1 ZINC001233385134 1036585694 /nfs/dbraw/zinc/58/56/94/1036585694.db2.gz VUDUIXCQVGWDCW-XKGZKEIXSA-N 1 2 365.433 2.717 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2c(C)cncc2Br)C1=O ZINC001277392773 1036703482 /nfs/dbraw/zinc/70/34/82/1036703482.db2.gz MJVNFRIRYAJMSR-QGZVFWFLSA-N 1 2 364.287 2.905 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2c(C)cncc2Br)C1=O ZINC001277392773 1036703505 /nfs/dbraw/zinc/70/35/05/1036703505.db2.gz MJVNFRIRYAJMSR-QGZVFWFLSA-N 1 2 364.287 2.905 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3c[nH]nc3C(F)(F)F)C2)CC1 ZINC001141011698 1036708790 /nfs/dbraw/zinc/70/87/90/1036708790.db2.gz MMOPJWBJQOISSJ-UHFFFAOYSA-N 1 2 358.364 2.649 20 30 FFEDLO N#Cc1cc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC001229526112 1036722261 /nfs/dbraw/zinc/72/22/61/1036722261.db2.gz SZZXQJCBZFOANZ-SFHVURJKSA-N 1 2 353.378 2.746 20 30 FFEDLO N#Cc1cc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC001229526112 1036722281 /nfs/dbraw/zinc/72/22/81/1036722281.db2.gz SZZXQJCBZFOANZ-SFHVURJKSA-N 1 2 353.378 2.746 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nc2cc(F)ccc2[nH]1 ZINC001277411761 1036838268 /nfs/dbraw/zinc/83/82/68/1036838268.db2.gz ZPIUHYAFCMXJEY-IAGOWNOFSA-N 1 2 355.417 2.571 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nc2cc(F)ccc2[nH]1 ZINC001277411761 1036838286 /nfs/dbraw/zinc/83/82/86/1036838286.db2.gz ZPIUHYAFCMXJEY-IAGOWNOFSA-N 1 2 355.417 2.571 20 30 FFEDLO Cc1nc(OC2CN(CCC#N)C2)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229767388 1036880924 /nfs/dbraw/zinc/88/09/24/1036880924.db2.gz BIFNMMAQXSMMNQ-UHFFFAOYSA-N 1 2 358.405 2.553 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC[C@@]23CC(=O)N(CC(F)(F)F)C3)c1 ZINC001277849674 1037005015 /nfs/dbraw/zinc/00/50/15/1037005015.db2.gz FEYXKEYYBGYHAW-KRWDZBQOSA-N 1 2 367.371 2.783 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC[C@@]23CC(=O)N(CC(F)(F)F)C3)c1 ZINC001277849674 1037005030 /nfs/dbraw/zinc/00/50/30/1037005030.db2.gz FEYXKEYYBGYHAW-KRWDZBQOSA-N 1 2 367.371 2.783 20 30 FFEDLO Cc1ccc(N2CCC[C@H](Oc3[nH]c(=O)nc4ccc(C#N)cc43)C2)[nH+]c1 ZINC001234529662 1037073795 /nfs/dbraw/zinc/07/37/95/1037073795.db2.gz CYWQPDAMTLPXCT-HNNXBMFYSA-N 1 2 361.405 2.958 20 30 FFEDLO C#C[C@H](Oc1nc(=O)[nH]c2c1CC[N@H+](Cc1ccccc1)C2)c1ccncc1 ZINC001230186114 1037135227 /nfs/dbraw/zinc/13/52/27/1037135227.db2.gz LFKVIKZHQCVZHX-FQEVSTJZSA-N 1 2 372.428 2.889 20 30 FFEDLO C#C[C@H](Oc1nc(=O)[nH]c2c1CC[N@@H+](Cc1ccccc1)C2)c1ccncc1 ZINC001230186114 1037135236 /nfs/dbraw/zinc/13/52/36/1037135236.db2.gz LFKVIKZHQCVZHX-FQEVSTJZSA-N 1 2 372.428 2.889 20 30 FFEDLO Cn1cc(C[N@@H+]2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)cc1C#N ZINC001207104892 1037149412 /nfs/dbraw/zinc/14/94/12/1037149412.db2.gz JZHDMZVUXVYWAZ-NRFANRHFSA-N 1 2 350.466 2.768 20 30 FFEDLO Cn1cc(C[N@H+]2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)cc1C#N ZINC001207104892 1037149420 /nfs/dbraw/zinc/14/94/20/1037149420.db2.gz JZHDMZVUXVYWAZ-NRFANRHFSA-N 1 2 350.466 2.768 20 30 FFEDLO CCOC(=O)CC[NH+](CCC(=O)OCC)Cc1c(F)cc(C#N)cc1F ZINC001235666428 1037671807 /nfs/dbraw/zinc/67/18/07/1037671807.db2.gz JKORHBIYJJTQJE-UHFFFAOYSA-N 1 2 368.380 2.545 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(N(C)C)cc1OC ZINC001231851595 1037948242 /nfs/dbraw/zinc/94/82/42/1037948242.db2.gz FEWZIFSXCWACKZ-LJQANCHMSA-N 1 2 370.497 2.797 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(N(C)C)cc1OC ZINC001231851595 1037948251 /nfs/dbraw/zinc/94/82/51/1037948251.db2.gz FEWZIFSXCWACKZ-LJQANCHMSA-N 1 2 370.497 2.797 20 30 FFEDLO C=C(C)C[C@@H](NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)C(=O)OCC ZINC001537003393 1070101538 /nfs/dbraw/zinc/10/15/38/1070101538.db2.gz CMMVAFAWTCTDEE-OAHLLOKOSA-N 1 2 365.380 2.637 20 30 FFEDLO CC(=O)[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C#N)c(Cl)c1)CC2 ZINC001277596950 1038089395 /nfs/dbraw/zinc/08/93/95/1038089395.db2.gz RHRWLVIQVJEDMK-GUYCJALGSA-N 1 2 373.884 2.907 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001208149956 1038090503 /nfs/dbraw/zinc/09/05/03/1038090503.db2.gz MCPKQAWJDITKMU-JXXFODFXSA-N 1 2 363.502 2.963 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001208149956 1038090522 /nfs/dbraw/zinc/09/05/22/1038090522.db2.gz MCPKQAWJDITKMU-JXXFODFXSA-N 1 2 363.502 2.963 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2csc(C)n2)C[C@H]1C ZINC001208151249 1038096306 /nfs/dbraw/zinc/09/63/06/1038096306.db2.gz YJCNAXYLBFDGCX-QBIMZIAESA-N 1 2 351.516 2.617 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2csc(C)n2)C[C@H]1C ZINC001208151249 1038096318 /nfs/dbraw/zinc/09/63/18/1038096318.db2.gz YJCNAXYLBFDGCX-QBIMZIAESA-N 1 2 351.516 2.617 20 30 FFEDLO N#Cc1ccc(CN2CC([NH+]3CCN(c4ccccn4)CC3)C2)cc1Cl ZINC001232116469 1038181618 /nfs/dbraw/zinc/18/16/18/1038181618.db2.gz LWFVRIIIGSHBQR-UHFFFAOYSA-N 1 2 367.884 2.613 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001208292432 1038196191 /nfs/dbraw/zinc/19/61/91/1038196191.db2.gz VQTRHRLNYQERDE-SJLPKXTDSA-N 1 2 357.498 2.972 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001208292432 1038196198 /nfs/dbraw/zinc/19/61/98/1038196198.db2.gz VQTRHRLNYQERDE-SJLPKXTDSA-N 1 2 357.498 2.972 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cnc(F)c(OC(C)C)c1 ZINC001277623206 1038221209 /nfs/dbraw/zinc/22/12/09/1038221209.db2.gz LZQMJPJWWHAXIL-FQEVSTJZSA-N 1 2 359.445 2.598 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cnc(F)c(OC(C)C)c1 ZINC001277623206 1038221219 /nfs/dbraw/zinc/22/12/19/1038221219.db2.gz LZQMJPJWWHAXIL-FQEVSTJZSA-N 1 2 359.445 2.598 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(C)c2C)C[C@H]1C ZINC001208376766 1038267654 /nfs/dbraw/zinc/26/76/54/1038267654.db2.gz SAMRHZGIFMCSGG-YLJYHZDGSA-N 1 2 369.509 2.872 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C)c2C)C[C@H]1C ZINC001208376766 1038267656 /nfs/dbraw/zinc/26/76/56/1038267656.db2.gz SAMRHZGIFMCSGG-YLJYHZDGSA-N 1 2 369.509 2.872 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2F)C[C@H]1C ZINC001208458297 1038329190 /nfs/dbraw/zinc/32/91/90/1038329190.db2.gz BYNMLVQOZOXGKI-IIDMSEBBSA-N 1 2 361.461 2.946 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2F)C[C@H]1C ZINC001208458297 1038329205 /nfs/dbraw/zinc/32/92/05/1038329205.db2.gz BYNMLVQOZOXGKI-IIDMSEBBSA-N 1 2 361.461 2.946 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208536996 1038395194 /nfs/dbraw/zinc/39/51/94/1038395194.db2.gz QKDDPCUTDCEQIU-NIKGAXFTSA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208536996 1038395207 /nfs/dbraw/zinc/39/52/07/1038395207.db2.gz QKDDPCUTDCEQIU-NIKGAXFTSA-N 1 2 361.461 2.695 20 30 FFEDLO CC(C)N(CC[N@H+](C)Cc1ccccc1C#N)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001278915150 1038407853 /nfs/dbraw/zinc/40/78/53/1038407853.db2.gz SMNYCXXVBWLVCM-TXVWBRJLSA-N 1 2 367.493 2.650 20 30 FFEDLO CC(C)N(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001278915150 1038407857 /nfs/dbraw/zinc/40/78/57/1038407857.db2.gz SMNYCXXVBWLVCM-TXVWBRJLSA-N 1 2 367.493 2.650 20 30 FFEDLO Cc1ncsc1C[NH+]1CC2(CN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 ZINC001278925770 1038465454 /nfs/dbraw/zinc/46/54/54/1038465454.db2.gz MZGRJCHWZBBCJP-UHFFFAOYSA-N 1 2 352.463 2.590 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C(C)(F)F ZINC001208708515 1038494199 /nfs/dbraw/zinc/49/41/99/1038494199.db2.gz YIGVYIZSARRRGM-XHBSWPGZSA-N 1 2 353.388 2.925 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C(C)(F)F ZINC001208708515 1038494202 /nfs/dbraw/zinc/49/42/02/1038494202.db2.gz YIGVYIZSARRRGM-XHBSWPGZSA-N 1 2 353.388 2.925 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1Cl ZINC001208739612 1038504124 /nfs/dbraw/zinc/50/41/24/1038504124.db2.gz KOPJFCPUVWILBJ-UHFFFAOYSA-N 1 2 372.837 2.876 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H]2OCC[N@H+](CCCc3cccc(C#N)c3)[C@@H]2C1 ZINC001208852164 1038557098 /nfs/dbraw/zinc/55/70/98/1038557098.db2.gz VSNQOAXKPCMQSC-RTBURBONSA-N 1 2 371.481 2.811 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H]2OCC[N@@H+](CCCc3cccc(C#N)c3)[C@@H]2C1 ZINC001208852164 1038557102 /nfs/dbraw/zinc/55/71/02/1038557102.db2.gz VSNQOAXKPCMQSC-RTBURBONSA-N 1 2 371.481 2.811 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH2+]C[C@@H]2C#N)C[C@@H]1c1ccccc1 ZINC001256938275 1038660161 /nfs/dbraw/zinc/66/01/61/1038660161.db2.gz BHXMFDSDNZWPSM-GBESFXJTSA-N 1 2 370.497 2.925 20 30 FFEDLO N#Cc1ccc(NC(=S)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001245880037 1039133250 /nfs/dbraw/zinc/13/32/50/1039133250.db2.gz BRRDBDFGFPNMFN-LJQANCHMSA-N 1 2 366.490 2.746 20 30 FFEDLO N#Cc1ccc(NC(=S)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001245880037 1039133258 /nfs/dbraw/zinc/13/32/58/1039133258.db2.gz BRRDBDFGFPNMFN-LJQANCHMSA-N 1 2 366.490 2.746 20 30 FFEDLO N#Cc1ccc(NC(=S)N2CCc3onc(Cn4cc[nH+]c4)c3C2)cc1 ZINC001245890286 1039137102 /nfs/dbraw/zinc/13/71/02/1039137102.db2.gz KVKAXUGKBJBLRG-UHFFFAOYSA-N 1 2 364.434 2.546 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](Cc2cc3cc(Cl)ccc3[nH]2)CC1 ZINC001209721729 1039158778 /nfs/dbraw/zinc/15/87/78/1039158778.db2.gz MIAMKZHLDAEOQV-UHFFFAOYSA-N 1 2 352.829 2.805 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCc2ccccc2)C1 ZINC001210944012 1039841051 /nfs/dbraw/zinc/84/10/51/1039841051.db2.gz WKWJUUVIDHGNAU-CZUORRHYSA-N 1 2 367.287 2.548 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCc2ccccc2)C1 ZINC001210944012 1039841078 /nfs/dbraw/zinc/84/10/78/1039841078.db2.gz WKWJUUVIDHGNAU-CZUORRHYSA-N 1 2 367.287 2.548 20 30 FFEDLO C=CCCCCCC[C@H](O)C[N@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001253236284 1040060223 /nfs/dbraw/zinc/06/02/23/1040060223.db2.gz RJFNETHPLSNOCX-FUHWJXTLSA-N 1 2 350.507 2.731 20 30 FFEDLO C=CCCCCCC[C@H](O)C[N@@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001253236284 1040060239 /nfs/dbraw/zinc/06/02/39/1040060239.db2.gz RJFNETHPLSNOCX-FUHWJXTLSA-N 1 2 350.507 2.731 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2csc(C(C)(C)C)n2)C[C@H]1C ZINC001211422180 1040180786 /nfs/dbraw/zinc/18/07/86/1040180786.db2.gz FLMPOGOBHVNCKY-GDBMZVCRSA-N 1 2 365.543 2.970 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](Cc2csc(C(C)(C)C)n2)C[C@H]1C ZINC001211422180 1040180792 /nfs/dbraw/zinc/18/07/92/1040180792.db2.gz FLMPOGOBHVNCKY-GDBMZVCRSA-N 1 2 365.543 2.970 20 30 FFEDLO Cn1cc[nH+]c1C[C@H](NC(=O)NCc1nc(C#N)cs1)c1ccccc1 ZINC001253510992 1040215557 /nfs/dbraw/zinc/21/55/57/1040215557.db2.gz ITCRYBSMGPUYPS-HNNXBMFYSA-N 1 2 366.450 2.531 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCc3c2cc(F)cc3F)C[C@H]1OC ZINC001213267959 1040391369 /nfs/dbraw/zinc/39/13/69/1040391369.db2.gz CTSMPWRREXAYBD-FGTMMUONSA-N 1 2 364.436 2.980 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3c2cc(F)cc3F)C[C@H]1OC ZINC001213267959 1040391386 /nfs/dbraw/zinc/39/13/86/1040391386.db2.gz CTSMPWRREXAYBD-FGTMMUONSA-N 1 2 364.436 2.980 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1OC ZINC001213322605 1040450659 /nfs/dbraw/zinc/45/06/59/1040450659.db2.gz LHCAQUFVXGTPLX-FSPWUOQZSA-N 1 2 352.425 2.883 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1OC ZINC001213322605 1040450667 /nfs/dbraw/zinc/45/06/67/1040450667.db2.gz LHCAQUFVXGTPLX-FSPWUOQZSA-N 1 2 352.425 2.883 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213322916 1040450907 /nfs/dbraw/zinc/45/09/07/1040450907.db2.gz WCJNXOPQAMVCFI-GDIGMMSISA-N 1 2 359.445 2.615 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213322916 1040450919 /nfs/dbraw/zinc/45/09/19/1040450919.db2.gz WCJNXOPQAMVCFI-GDIGMMSISA-N 1 2 359.445 2.615 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1)[C@@H](C)CC ZINC001254230568 1040625737 /nfs/dbraw/zinc/62/57/37/1040625737.db2.gz FAKZRKILDOFYGO-LZWOXQAQSA-N 1 2 368.474 2.646 20 30 FFEDLO C#Cc1cc(C(=O)N2CC3(C2)C[NH+](Cc2scnc2C)C3)ccc1C ZINC001278790278 1040750964 /nfs/dbraw/zinc/75/09/64/1040750964.db2.gz GTIPMTAWUNNCCF-UHFFFAOYSA-N 1 2 351.475 2.699 20 30 FFEDLO CCOC(=O)c1cc2n(n1)CCC[N@H+](Cc1cc3ccc(C#N)cc3[nH]1)C2 ZINC001249426886 1040755797 /nfs/dbraw/zinc/75/57/97/1040755797.db2.gz JRTSUBHRWPCWRW-UHFFFAOYSA-N 1 2 363.421 2.819 20 30 FFEDLO CCOC(=O)c1cc2n(n1)CCC[N@@H+](Cc1cc3ccc(C#N)cc3[nH]1)C2 ZINC001249426886 1040755811 /nfs/dbraw/zinc/75/58/11/1040755811.db2.gz JRTSUBHRWPCWRW-UHFFFAOYSA-N 1 2 363.421 2.819 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1OC ZINC001213895402 1041036435 /nfs/dbraw/zinc/03/64/35/1041036435.db2.gz YJCGRJDAWCSETM-IIKDMSNXSA-N 1 2 362.901 2.989 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1OC ZINC001213895402 1041036451 /nfs/dbraw/zinc/03/64/51/1041036451.db2.gz YJCGRJDAWCSETM-IIKDMSNXSA-N 1 2 362.901 2.989 20 30 FFEDLO CCOc1ccccc1CN1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001278554261 1041130756 /nfs/dbraw/zinc/13/07/56/1041130756.db2.gz NLYKSQFVGMGKLW-UHFFFAOYSA-N 1 2 350.466 2.613 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3conc3CC)C[C@H]2OC)CCCC1 ZINC001214001768 1041151309 /nfs/dbraw/zinc/15/13/09/1041151309.db2.gz HCZNDNCEUAZKCH-QZTJIDSGSA-N 1 2 361.486 2.689 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3conc3CC)C[C@H]2OC)CCCC1 ZINC001214001768 1041151319 /nfs/dbraw/zinc/15/13/19/1041151319.db2.gz HCZNDNCEUAZKCH-QZTJIDSGSA-N 1 2 361.486 2.689 20 30 FFEDLO CCOC(=O)c1cn2nc([C@@H]3CCC[N@@H+]([C@@H](CC)CC#N)C3)sc2n1 ZINC001255177107 1041182282 /nfs/dbraw/zinc/18/22/82/1041182282.db2.gz MLIVGBZXLRMSSH-OLZOCXBDSA-N 1 2 361.471 2.839 20 30 FFEDLO CCOC(=O)c1cn2nc([C@@H]3CCC[N@H+]([C@@H](CC)CC#N)C3)sc2n1 ZINC001255177107 1041182288 /nfs/dbraw/zinc/18/22/88/1041182288.db2.gz MLIVGBZXLRMSSH-OLZOCXBDSA-N 1 2 361.471 2.839 20 30 FFEDLO C=C[C@H](COC)[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001261378355 1041201789 /nfs/dbraw/zinc/20/17/89/1041201789.db2.gz WPCRYPQZEIXMRF-GFCCVEGCSA-N 1 2 353.488 2.727 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CCC(C)C)no2)C1 ZINC001214467838 1041450912 /nfs/dbraw/zinc/45/09/12/1041450912.db2.gz JNDLMDCOYSMXRA-IAGOWNOFSA-N 1 2 360.502 2.788 20 30 FFEDLO C=CC(C)(C)CCNC(=O)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001261945862 1041486196 /nfs/dbraw/zinc/48/61/96/1041486196.db2.gz JVWSQLUADKGTKP-QGZVFWFLSA-N 1 2 368.481 2.539 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001215324506 1041737516 /nfs/dbraw/zinc/73/75/16/1041737516.db2.gz BHYSFVAPTICMRQ-NVXWUHKLSA-N 1 2 358.486 2.857 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc([C@@H](C)OCC)no2)C1 ZINC001215696839 1041862548 /nfs/dbraw/zinc/86/25/48/1041862548.db2.gz KSLQXMQDILILBD-RBSFLKMASA-N 1 2 364.490 2.706 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001262948423 1041983262 /nfs/dbraw/zinc/98/32/62/1041983262.db2.gz LDOOEGWIWKHWLK-ZWKOTPCHSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001262948423 1041983266 /nfs/dbraw/zinc/98/32/66/1041983266.db2.gz LDOOEGWIWKHWLK-ZWKOTPCHSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001262951975 1041984677 /nfs/dbraw/zinc/98/46/77/1041984677.db2.gz GDXBLOVXQRZACW-KGLIPLIRSA-N 1 2 373.423 2.606 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)C[C@](C)(O)c1ccccc1 ZINC001262952619 1041985144 /nfs/dbraw/zinc/98/51/44/1041985144.db2.gz YBJWONIAPITTLJ-NRFANRHFSA-N 1 2 369.513 2.794 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC001263395439 1042279027 /nfs/dbraw/zinc/27/90/27/1042279027.db2.gz XPLOWGBATHVTMY-BZSNNMDCSA-N 1 2 374.533 2.844 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC001263395439 1042279032 /nfs/dbraw/zinc/27/90/32/1042279032.db2.gz XPLOWGBATHVTMY-BZSNNMDCSA-N 1 2 374.533 2.844 20 30 FFEDLO N#CC[C@@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2C[C@@H]2CCCCO2)C1 ZINC001263585760 1042387356 /nfs/dbraw/zinc/38/73/56/1042387356.db2.gz YFHZWHZIJZHBKU-ROUUACIJSA-N 1 2 372.517 2.573 20 30 FFEDLO N#CC[C@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2C[C@@H]2CCCCO2)C1 ZINC001263585758 1042387453 /nfs/dbraw/zinc/38/74/53/1042387453.db2.gz YFHZWHZIJZHBKU-MSOLQXFVSA-N 1 2 372.517 2.573 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(CCC)no1 ZINC001263999549 1042573920 /nfs/dbraw/zinc/57/39/20/1042573920.db2.gz KEODQNOLZLLDAJ-SJORKVTESA-N 1 2 360.502 2.932 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccco2)C1 ZINC001264040855 1042592253 /nfs/dbraw/zinc/59/22/53/1042592253.db2.gz RZIMTZFZHXFNIF-RTBURBONSA-N 1 2 370.424 2.656 20 30 FFEDLO COCC#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccco2)C1 ZINC001264040855 1042592255 /nfs/dbraw/zinc/59/22/55/1042592255.db2.gz RZIMTZFZHXFNIF-RTBURBONSA-N 1 2 370.424 2.656 20 30 FFEDLO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2nc(CC(F)(F)F)no2)[C@@H]1CC ZINC001264047912 1042597299 /nfs/dbraw/zinc/59/72/99/1042597299.db2.gz WBLNAGLFKFCYHM-NWDGAFQWSA-N 1 2 360.380 2.610 20 30 FFEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(CC(F)(F)F)no2)[C@@H]1CC ZINC001264047912 1042597302 /nfs/dbraw/zinc/59/73/02/1042597302.db2.gz WBLNAGLFKFCYHM-NWDGAFQWSA-N 1 2 360.380 2.610 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001264132861 1042630037 /nfs/dbraw/zinc/63/00/37/1042630037.db2.gz FRZGDPIMLWQLEA-TYILLQQXSA-N 1 2 359.445 2.591 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001264132861 1042630039 /nfs/dbraw/zinc/63/00/39/1042630039.db2.gz FRZGDPIMLWQLEA-TYILLQQXSA-N 1 2 359.445 2.591 20 30 FFEDLO C=C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cnn(CC)n2)[C@@H]1CC)c1ccccc1 ZINC001264625716 1042757103 /nfs/dbraw/zinc/75/71/03/1042757103.db2.gz JYOMJTAEOJOBTC-HSALFYBXSA-N 1 2 367.497 2.737 20 30 FFEDLO C=C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cnn(CC)n2)[C@@H]1CC)c1ccccc1 ZINC001264625716 1042757109 /nfs/dbraw/zinc/75/71/09/1042757109.db2.gz JYOMJTAEOJOBTC-HSALFYBXSA-N 1 2 367.497 2.737 20 30 FFEDLO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(F)c(C#N)c2)n(C)n1 ZINC001279372227 1043033288 /nfs/dbraw/zinc/03/32/88/1043033288.db2.gz FHRAPCNIBUVFMO-HDICACEKSA-N 1 2 353.445 2.588 20 30 FFEDLO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(F)c(C#N)c2)n(C)n1 ZINC001279372227 1043033292 /nfs/dbraw/zinc/03/32/92/1043033292.db2.gz FHRAPCNIBUVFMO-HDICACEKSA-N 1 2 353.445 2.588 20 30 FFEDLO Cc1cc(C[NH+]2CC3(CN(Cc4ccc(C#N)c(Cl)c4)C3)C2)n(C)n1 ZINC001279470115 1043153075 /nfs/dbraw/zinc/15/30/75/1043153075.db2.gz NTBQAYAPEWGAQB-UHFFFAOYSA-N 1 2 355.873 2.571 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3OCCN(Cc4ccc[nH]4)[C@H]3C2)cc1Cl ZINC001279471057 1043154391 /nfs/dbraw/zinc/15/43/91/1043154391.db2.gz VKRBZRYSLYHAFC-OALUTQOASA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3OCCN(Cc4ccc[nH]4)[C@H]3C2)cc1Cl ZINC001279471057 1043154394 /nfs/dbraw/zinc/15/43/94/1043154394.db2.gz VKRBZRYSLYHAFC-OALUTQOASA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1cc(C[NH+]2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)c(F)cc1F ZINC001237527548 1043219590 /nfs/dbraw/zinc/21/95/90/1043219590.db2.gz VFZOWQRDARPCNY-GJZGRUSLSA-N 1 2 360.433 2.857 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3cn4cc(C#N)ccc4n3)C[C@H]21 ZINC001237603694 1043264933 /nfs/dbraw/zinc/26/49/33/1043264933.db2.gz FJAACZPPHAILKB-DOTOQJQBSA-N 1 2 367.453 2.647 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3cn4cc(C#N)ccc4n3)C[C@H]21 ZINC001237603694 1043264945 /nfs/dbraw/zinc/26/49/45/1043264945.db2.gz FJAACZPPHAILKB-DOTOQJQBSA-N 1 2 367.453 2.647 20 30 FFEDLO N#CCc1ccccc1C(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001278129714 1043301180 /nfs/dbraw/zinc/30/11/80/1043301180.db2.gz UQOYCUQJTBGRPM-UHFFFAOYSA-N 1 2 351.372 2.995 20 30 FFEDLO N#CCc1ccccc1C(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001278129714 1043301195 /nfs/dbraw/zinc/30/11/95/1043301195.db2.gz UQOYCUQJTBGRPM-UHFFFAOYSA-N 1 2 351.372 2.995 20 30 FFEDLO C#CCOc1ccc(CN2CC3(CC[N@H+]3Cc3scnc3C)C2)cc1 ZINC001279596396 1043314291 /nfs/dbraw/zinc/31/42/91/1043314291.db2.gz VWCFLQHHYHYCSN-UHFFFAOYSA-N 1 2 353.491 2.924 20 30 FFEDLO C#CCOc1ccc(CN2CC3(CC[N@@H+]3Cc3scnc3C)C2)cc1 ZINC001279596396 1043314296 /nfs/dbraw/zinc/31/42/96/1043314296.db2.gz VWCFLQHHYHYCSN-UHFFFAOYSA-N 1 2 353.491 2.924 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(Cc4ccc(C(F)(F)F)o4)C3)C2)cc1C#N ZINC001279602109 1043322169 /nfs/dbraw/zinc/32/21/69/1043322169.db2.gz CHKVUNSIUUBKLS-UHFFFAOYSA-N 1 2 364.371 2.826 20 30 FFEDLO N#Cc1cc(Cl)cc(C[NH+]2CC3(C2)CCN(C(=O)c2cccnc2)C3)c1 ZINC001237755237 1043343212 /nfs/dbraw/zinc/34/32/12/1043343212.db2.gz HVLCASSZEABSRU-UHFFFAOYSA-N 1 2 366.852 2.955 20 30 FFEDLO Cc1cccc(C#N)c1S(=O)(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001309828002 1043543611 /nfs/dbraw/zinc/54/36/11/1043543611.db2.gz DGGBJXKCXLBOFT-OALUTQOASA-N 1 2 367.474 2.514 20 30 FFEDLO Cc1cccc(C#N)c1S(=O)(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001309828002 1043543618 /nfs/dbraw/zinc/54/36/18/1043543618.db2.gz DGGBJXKCXLBOFT-OALUTQOASA-N 1 2 367.474 2.514 20 30 FFEDLO C#CC[NH+]1CCN(Cc2c(Br)ccc(OCC)c2F)CC1 ZINC001238284100 1043637440 /nfs/dbraw/zinc/63/74/40/1043637440.db2.gz KUVDSUVZIMOTQN-UHFFFAOYSA-N 1 2 355.251 2.738 20 30 FFEDLO C=CCCCNC(=S)N1CC2(C1)CC[N@H+](Cc1nc3ccccc3[nH]1)C2 ZINC001279935863 1043946139 /nfs/dbraw/zinc/94/61/39/1043946139.db2.gz FSBMKJBBFIRHST-UHFFFAOYSA-N 1 2 369.538 2.911 20 30 FFEDLO C=CCCCNC(=S)N1CC2(C1)CC[N@@H+](Cc1nc3ccccc3[nH]1)C2 ZINC001279935863 1043946143 /nfs/dbraw/zinc/94/61/43/1043946143.db2.gz FSBMKJBBFIRHST-UHFFFAOYSA-N 1 2 369.538 2.911 20 30 FFEDLO N#CC1(NC(=O)[C@H]2CC23C[NH+](Cc2cccc(Br)c2)C3)CCC1 ZINC001279997375 1044064364 /nfs/dbraw/zinc/06/43/64/1044064364.db2.gz QFGJWMYKFDDGIA-OAHLLOKOSA-N 1 2 374.282 2.833 20 30 FFEDLO Cc1c(F)cc(F)cc1CN1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001278322953 1044469711 /nfs/dbraw/zinc/46/97/11/1044469711.db2.gz WJRUEIYGOQRLJC-UHFFFAOYSA-N 1 2 356.420 2.801 20 30 FFEDLO C=CCNC(=O)C[NH2+]Cc1c(F)ccc(C(F)(F)F)c1Br ZINC001328769221 1044562931 /nfs/dbraw/zinc/56/29/31/1044562931.db2.gz CQTIZXQYCCDUFS-UHFFFAOYSA-N 1 2 369.156 2.999 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(Br)c2)[C@@H]1C ZINC001316779081 1044585066 /nfs/dbraw/zinc/58/50/66/1044585066.db2.gz YGEBVJDSVBQQAA-RWSFTLGLSA-N 1 2 368.250 2.827 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(Br)c2)[C@@H]1C ZINC001316779081 1044585079 /nfs/dbraw/zinc/58/50/79/1044585079.db2.gz YGEBVJDSVBQQAA-RWSFTLGLSA-N 1 2 368.250 2.827 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CCCC(C)=O)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001316726978 1044664816 /nfs/dbraw/zinc/66/48/16/1044664816.db2.gz PRLJYWFCRIDWGQ-RBUKOAKNSA-N 1 2 359.445 2.926 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CCCC(C)=O)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001316726978 1044664820 /nfs/dbraw/zinc/66/48/20/1044664820.db2.gz PRLJYWFCRIDWGQ-RBUKOAKNSA-N 1 2 359.445 2.926 20 30 FFEDLO C=CC(C)(C)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001280583983 1044700596 /nfs/dbraw/zinc/70/05/96/1044700596.db2.gz FLXPPCSUDMZXAU-HUUCEWRRSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CC(C)(C)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001280583983 1044700606 /nfs/dbraw/zinc/70/06/06/1044700606.db2.gz FLXPPCSUDMZXAU-HUUCEWRRSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001280742091 1044728632 /nfs/dbraw/zinc/72/86/32/1044728632.db2.gz QADJRXQBDAUMFA-GVDBMIGSSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001280742091 1044728645 /nfs/dbraw/zinc/72/86/45/1044728645.db2.gz QADJRXQBDAUMFA-GVDBMIGSSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)NCC)CC[C@@H]1c1ccccc1 ZINC001316724111 1044844229 /nfs/dbraw/zinc/84/42/29/1044844229.db2.gz XIFOBDJZTKUTBI-DFQSSKMNSA-N 1 2 371.525 2.699 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC)CC[C@@H]1c1ccccc1 ZINC001316724111 1044844249 /nfs/dbraw/zinc/84/42/49/1044844249.db2.gz XIFOBDJZTKUTBI-DFQSSKMNSA-N 1 2 371.525 2.699 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001316722908 1044844566 /nfs/dbraw/zinc/84/45/66/1044844566.db2.gz PBRWNIHSWPYBLG-MISYRCLQSA-N 1 2 371.525 2.555 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001316722908 1044844579 /nfs/dbraw/zinc/84/45/79/1044844579.db2.gz PBRWNIHSWPYBLG-MISYRCLQSA-N 1 2 371.525 2.555 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C(C)(C)C)nn3)CC[C@@H]2C1 ZINC001316755391 1044910378 /nfs/dbraw/zinc/91/03/78/1044910378.db2.gz HDPRWVLUSWPEFI-MSOLQXFVSA-N 1 2 371.529 2.507 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H]2C[N@H+](Cc3cn(C(C)(C)C)nn3)CC[C@@H]2C1 ZINC001316755391 1044910386 /nfs/dbraw/zinc/91/03/86/1044910386.db2.gz HDPRWVLUSWPEFI-MSOLQXFVSA-N 1 2 371.529 2.507 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2coc(-c3cccc(F)c3)n2)[C@@H]1C ZINC001316777969 1044936112 /nfs/dbraw/zinc/93/61/12/1044936112.db2.gz AXZPAYQCIOZVLL-AHIWAGSCSA-N 1 2 356.401 2.719 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)[C@@H]1C ZINC001316777969 1044936131 /nfs/dbraw/zinc/93/61/31/1044936131.db2.gz AXZPAYQCIOZVLL-AHIWAGSCSA-N 1 2 356.401 2.719 20 30 FFEDLO CC(C)C#CC(=O)N[C@H]1CC[N@H+](Cc2nnc(-c3cccc(F)c3)o2)[C@@H]1C ZINC001316781382 1044945301 /nfs/dbraw/zinc/94/53/01/1044945301.db2.gz JFGSDNKEUJSUDP-PBHICJAKSA-N 1 2 370.428 2.614 20 30 FFEDLO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(F)c3)o2)[C@@H]1C ZINC001316781382 1044945310 /nfs/dbraw/zinc/94/53/10/1044945310.db2.gz JFGSDNKEUJSUDP-PBHICJAKSA-N 1 2 370.428 2.614 20 30 FFEDLO Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+]NC(=S)NC(C)C ZINC001317716843 1045125492 /nfs/dbraw/zinc/12/54/92/1045125492.db2.gz KBEYKMPQHQCNFJ-UHFFFAOYSA-N 1 2 370.526 2.987 20 30 FFEDLO C[NH+]1CCN(c2ccc(/C=C3/Oc4cc(O)ccc4C3=O)cc2F)CC1 ZINC001317910101 1045168542 /nfs/dbraw/zinc/16/85/42/1045168542.db2.gz JHEMXPQRFOIHBO-YBFXNURJSA-N 1 2 354.381 2.899 20 30 FFEDLO C[NH+]1CCN(c2ccc(/C=C3\Oc4cc(O)ccc4C3=O)cc2F)CC1 ZINC001317910099 1045168903 /nfs/dbraw/zinc/16/89/03/1045168903.db2.gz JHEMXPQRFOIHBO-ODLFYWEKSA-N 1 2 354.381 2.899 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CC[C@H](C)C2)CC1 ZINC001539444499 1070639539 /nfs/dbraw/zinc/63/95/39/1070639539.db2.gz PYIBUNFBVUBDGN-ROUUACIJSA-N 1 2 364.497 2.532 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2CC2(CCOCC)CCCC2)CC1 ZINC001539451825 1070640633 /nfs/dbraw/zinc/64/06/33/1070640633.db2.gz BFWJQDSYRIMOPL-UHFFFAOYSA-N 1 2 373.545 2.583 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCc2cccs2)CC1 ZINC001539452394 1070640756 /nfs/dbraw/zinc/64/07/56/1070640756.db2.gz RIHISXCZDVWWLR-UHFFFAOYSA-N 1 2 371.554 2.926 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](CC(=O)N[C@@H](c2nccs2)c2ccccc2)C1 ZINC001320039328 1045334581 /nfs/dbraw/zinc/33/45/81/1045334581.db2.gz ITGVDAPIPMXQSJ-FUHWJXTLSA-N 1 2 357.479 2.626 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)N[C@@H](c2nccs2)c2ccccc2)C1 ZINC001320039328 1045334589 /nfs/dbraw/zinc/33/45/89/1045334589.db2.gz ITGVDAPIPMXQSJ-FUHWJXTLSA-N 1 2 357.479 2.626 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001282121621 1045358163 /nfs/dbraw/zinc/35/81/63/1045358163.db2.gz JPGRBZCDCINCEG-DOTOQJQBSA-N 1 2 368.481 2.870 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001282544332 1045827914 /nfs/dbraw/zinc/82/79/14/1045827914.db2.gz BZKCIBVDVSIFTB-QBPKDAKJSA-N 1 2 372.513 2.716 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001282544332 1045827931 /nfs/dbraw/zinc/82/79/31/1045827931.db2.gz BZKCIBVDVSIFTB-QBPKDAKJSA-N 1 2 372.513 2.716 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001282580803 1045925135 /nfs/dbraw/zinc/92/51/35/1045925135.db2.gz XPAMCFKWFKRZAH-WIYYLYMNSA-N 1 2 370.497 2.539 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001282674439 1046057377 /nfs/dbraw/zinc/05/73/77/1046057377.db2.gz SFPQILZEOGDJSD-MHORFTMASA-N 1 2 372.513 2.777 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001282732414 1046140525 /nfs/dbraw/zinc/14/05/25/1046140525.db2.gz NIRKPALRMJPHCD-KFWWJZLASA-N 1 2 358.486 2.538 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCn1cc[nH+]c1 ZINC001282770597 1046179102 /nfs/dbraw/zinc/17/91/02/1046179102.db2.gz JRKQXZFVYGDMPE-ZACQAIPSSA-N 1 2 358.486 2.514 20 30 FFEDLO C#CCCCn1c(C)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001286341527 1047077844 /nfs/dbraw/zinc/07/78/44/1047077844.db2.gz GOJIMVNSERLTLO-KRWDZBQOSA-N 1 2 373.526 2.571 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2Cc2nc(C3CC3)cs2)CC1 ZINC001286470437 1047119942 /nfs/dbraw/zinc/11/99/42/1047119942.db2.gz YPLRCMJBRHFQPQ-UHFFFAOYSA-N 1 2 370.526 2.539 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2CCC)CC1 ZINC001286472109 1047120816 /nfs/dbraw/zinc/12/08/16/1047120816.db2.gz DSQZQGVPZAGIND-UHFFFAOYSA-N 1 2 374.492 2.967 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CCOC2CCCCCC2)CC1 ZINC001286480427 1047121630 /nfs/dbraw/zinc/12/16/30/1047121630.db2.gz WJSMQQWKENHTJO-UHFFFAOYSA-N 1 2 371.529 2.650 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CCC4(CCC4)CO3)CC2)cc1 ZINC001540370843 1070864749 /nfs/dbraw/zinc/86/47/49/1070864749.db2.gz HTWKCHYKLNFLKE-FQEVSTJZSA-N 1 2 367.493 2.942 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2CC2CCCC2)CC1 ZINC001286483690 1047123023 /nfs/dbraw/zinc/12/30/23/1047123023.db2.gz UPZDURKYWPETFP-UHFFFAOYSA-N 1 2 369.538 2.876 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nnc(CC)o2)C[C@H]1c1ccccc1 ZINC001316645392 1047423742 /nfs/dbraw/zinc/42/37/42/1047423742.db2.gz SQOHSLPVDZJVGM-DLBZAZTESA-N 1 2 368.481 2.928 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nnc(CC)o2)C[C@H]1c1ccccc1 ZINC001316645392 1047423749 /nfs/dbraw/zinc/42/37/49/1047423749.db2.gz SQOHSLPVDZJVGM-DLBZAZTESA-N 1 2 368.481 2.928 20 30 FFEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c(F)c1 ZINC001290078864 1047815817 /nfs/dbraw/zinc/81/58/17/1047815817.db2.gz IATYKPICELDVCV-UHFFFAOYSA-N 1 2 353.397 2.534 20 30 FFEDLO Cc1[nH]c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cc2[nH+]1 ZINC001333398504 1048881524 /nfs/dbraw/zinc/88/15/24/1048881524.db2.gz QQISIEIUTYUCGX-AWEZNQCLSA-N 1 2 359.389 2.735 20 30 FFEDLO N#C[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C1CCCC1 ZINC001333459701 1048914122 /nfs/dbraw/zinc/91/41/22/1048914122.db2.gz AKAGYMVBBJIGLT-GOSISDBHSA-N 1 2 365.437 2.724 20 30 FFEDLO COCC#CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001333988890 1049194120 /nfs/dbraw/zinc/19/41/20/1049194120.db2.gz PFDYPZUCHBPXQI-UHFFFAOYSA-N 1 2 355.265 2.724 20 30 FFEDLO COc1cccc(CN(C)c2nnc(C3CC[NH+](CCC#N)CC3)n2C)c1 ZINC001339750708 1050171923 /nfs/dbraw/zinc/17/19/23/1050171923.db2.gz QYCQHLUEKRQEAN-UHFFFAOYSA-N 1 2 368.485 2.553 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCSC(CC)(CC)C1 ZINC001339880630 1050297442 /nfs/dbraw/zinc/29/74/42/1050297442.db2.gz UVLCCRUPINIPGH-UHFFFAOYSA-N 1 2 360.531 2.900 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001341837930 1050450210 /nfs/dbraw/zinc/45/02/10/1050450210.db2.gz HLJHIKXFORINAM-ZZAJSIFASA-N 1 2 373.545 2.781 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001341837930 1050450215 /nfs/dbraw/zinc/45/02/15/1050450215.db2.gz HLJHIKXFORINAM-ZZAJSIFASA-N 1 2 373.545 2.781 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001341903690 1050503365 /nfs/dbraw/zinc/50/33/65/1050503365.db2.gz MLEFGJOVAUSCQT-FUHWJXTLSA-N 1 2 369.517 2.868 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001341903690 1050503381 /nfs/dbraw/zinc/50/33/81/1050503381.db2.gz MLEFGJOVAUSCQT-FUHWJXTLSA-N 1 2 369.517 2.868 20 30 FFEDLO C#CC1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC(=C)C)CC1 ZINC001341907129 1050507202 /nfs/dbraw/zinc/50/72/02/1050507202.db2.gz LZEHPGBCCQHQKJ-UHFFFAOYSA-N 1 2 366.513 2.797 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)Cc1cc2ccccc2o1 ZINC001340258801 1050664238 /nfs/dbraw/zinc/66/42/38/1050664238.db2.gz NSZGBGUJRQNLMV-WBVHZDCISA-N 1 2 367.453 2.584 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)Cc1cc2ccccc2o1 ZINC001340258801 1050664244 /nfs/dbraw/zinc/66/42/44/1050664244.db2.gz NSZGBGUJRQNLMV-WBVHZDCISA-N 1 2 367.453 2.584 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC2(C1)CCCCC2 ZINC001340329880 1050728086 /nfs/dbraw/zinc/72/80/86/1050728086.db2.gz KTMOCYAJMCXFKV-UHFFFAOYSA-N 1 2 373.545 2.829 20 30 FFEDLO C=C(C)Cn1c([C@H](C)SC)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001342217442 1050807001 /nfs/dbraw/zinc/80/70/01/1050807001.db2.gz NQKXTFZPOOFJBH-INIZCTEOSA-N 1 2 372.542 2.995 20 30 FFEDLO C=CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1c[nH+]ccc1OC ZINC001301280853 1050853599 /nfs/dbraw/zinc/85/35/99/1050853599.db2.gz XZRAPNUMNCEWSN-UHFFFAOYSA-N 1 2 360.421 2.891 20 30 FFEDLO C=CCN(C)c1nnc(COCC)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001301309979 1050863917 /nfs/dbraw/zinc/86/39/17/1050863917.db2.gz JHEXGWUMULHYBL-UHFFFAOYSA-N 1 2 370.501 2.870 20 30 FFEDLO C=C(CCC(=O)OC)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001542204774 1071189174 /nfs/dbraw/zinc/18/91/74/1071189174.db2.gz GBCWPPFFXRLZIQ-GFCCVEGCSA-N 1 2 351.472 2.823 20 30 FFEDLO C=C(CCC(=O)OC)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001542204774 1071189181 /nfs/dbraw/zinc/18/91/81/1071189181.db2.gz GBCWPPFFXRLZIQ-GFCCVEGCSA-N 1 2 351.472 2.823 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CC[N@@H+]1Cc1nc(-c2ccccc2)no1 ZINC001316731371 1051472520 /nfs/dbraw/zinc/47/25/20/1051472520.db2.gz YESYJAIJWFGFSQ-ZWKOTPCHSA-N 1 2 366.465 2.865 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CC[N@H+]1Cc1nc(-c2ccccc2)no1 ZINC001316731371 1051472524 /nfs/dbraw/zinc/47/25/24/1051472524.db2.gz YESYJAIJWFGFSQ-ZWKOTPCHSA-N 1 2 366.465 2.865 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H]1CC ZINC001344895341 1052110749 /nfs/dbraw/zinc/11/07/49/1052110749.db2.gz VBCJSEIHHLTIGO-PNBKFKSVSA-N 1 2 358.486 2.611 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H]1CC ZINC001344895341 1052110761 /nfs/dbraw/zinc/11/07/61/1052110761.db2.gz VBCJSEIHHLTIGO-PNBKFKSVSA-N 1 2 358.486 2.611 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1ccccc1F ZINC001343314440 1052156796 /nfs/dbraw/zinc/15/67/96/1052156796.db2.gz FPHDQXRBVUGIRJ-UHFFFAOYSA-N 1 2 354.433 2.954 20 30 FFEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nccn1Cc1ccccc1)[C@@H]1CCSC1 ZINC001343705682 1052381530 /nfs/dbraw/zinc/38/15/30/1052381530.db2.gz SWFRHUFFVDOLIO-IAGOWNOFSA-N 1 2 354.479 2.545 20 30 FFEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nccn1Cc1ccccc1)[C@@H]1CCSC1 ZINC001343705682 1052381533 /nfs/dbraw/zinc/38/15/33/1052381533.db2.gz SWFRHUFFVDOLIO-IAGOWNOFSA-N 1 2 354.479 2.545 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@H]1CCSC1 ZINC001343783691 1052417775 /nfs/dbraw/zinc/41/77/75/1052417775.db2.gz NSKXPUHMJIGRJU-JKSUJKDBSA-N 1 2 365.547 2.578 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@H]1CCSC1 ZINC001343783691 1052417779 /nfs/dbraw/zinc/41/77/79/1052417779.db2.gz NSKXPUHMJIGRJU-JKSUJKDBSA-N 1 2 365.547 2.578 20 30 FFEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001309197054 1052572323 /nfs/dbraw/zinc/57/23/23/1052572323.db2.gz LULYXCGYLYHDFP-QGZVFWFLSA-N 1 2 369.490 2.762 20 30 FFEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001309197054 1052572331 /nfs/dbraw/zinc/57/23/31/1052572331.db2.gz LULYXCGYLYHDFP-QGZVFWFLSA-N 1 2 369.490 2.762 20 30 FFEDLO C#CCN(C)c1nnc([C@@H](C)[N@H+](C)Cc2ccccc2)n1C[C@@H]1CCOC1 ZINC001344213285 1052638816 /nfs/dbraw/zinc/63/88/16/1052638816.db2.gz MWFNQCXXYUBBKW-MJGOQNOKSA-N 1 2 367.497 2.577 20 30 FFEDLO C#CCN(C)c1nnc([C@@H](C)[N@@H+](C)Cc2ccccc2)n1C[C@@H]1CCOC1 ZINC001344213285 1052638818 /nfs/dbraw/zinc/63/88/18/1052638818.db2.gz MWFNQCXXYUBBKW-MJGOQNOKSA-N 1 2 367.497 2.577 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2CCCC[N@H+]2C)n1C[C@H]1CCCCO1 ZINC001344292348 1052689736 /nfs/dbraw/zinc/68/97/36/1052689736.db2.gz DPWGKKHYEZJQCL-GUDVDZBRSA-N 1 2 371.529 2.996 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2CCCC[N@@H+]2C)n1C[C@H]1CCCCO1 ZINC001344292348 1052689739 /nfs/dbraw/zinc/68/97/39/1052689739.db2.gz DPWGKKHYEZJQCL-GUDVDZBRSA-N 1 2 371.529 2.996 20 30 FFEDLO C[C@H](CC#N)N(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1C[C@H]1CCCCO1 ZINC001347213504 1053726471 /nfs/dbraw/zinc/72/64/71/1053726471.db2.gz PCBCYLHTWJDJTR-BRWVUGGUSA-N 1 2 360.506 2.742 20 30 FFEDLO C[C@H](CC#N)N(C)c1nnc([C@H]2CCCC[N@H+]2C)n1C[C@H]1CCCCO1 ZINC001347213504 1053726480 /nfs/dbraw/zinc/72/64/80/1053726480.db2.gz PCBCYLHTWJDJTR-BRWVUGGUSA-N 1 2 360.506 2.742 20 30 FFEDLO Cc1cc(Cn2c([C@@H]3CCC[N@H+]3C)nnc2N2CCC[C@H](CC#N)C2)no1 ZINC001348278339 1054598426 /nfs/dbraw/zinc/59/84/26/1054598426.db2.gz WWDIBXOARFNZHZ-WBVHZDCISA-N 1 2 369.473 2.520 20 30 FFEDLO Cc1cc(Cn2c([C@@H]3CCC[N@@H+]3C)nnc2N2CCC[C@H](CC#N)C2)no1 ZINC001348278339 1054598436 /nfs/dbraw/zinc/59/84/36/1054598436.db2.gz WWDIBXOARFNZHZ-WBVHZDCISA-N 1 2 369.473 2.520 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2cc(F)ccc2C1 ZINC001338139140 1055264646 /nfs/dbraw/zinc/26/46/46/1055264646.db2.gz QABQMKBJWMEPPK-UHFFFAOYSA-N 1 2 368.460 2.610 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@]2(CC2(F)F)C1 ZINC001338139708 1055265378 /nfs/dbraw/zinc/26/53/78/1055265378.db2.gz WBADQNVTVSMDMO-QGZVFWFLSA-N 1 2 364.444 2.534 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C/C=C/C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001356135253 1055321855 /nfs/dbraw/zinc/32/18/55/1055321855.db2.gz VCJXEASPISZFAC-WPIQGNPXSA-N 1 2 359.518 2.558 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C/C=C/C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001356135253 1055321871 /nfs/dbraw/zinc/32/18/71/1055321871.db2.gz VCJXEASPISZFAC-WPIQGNPXSA-N 1 2 359.518 2.558 20 30 FFEDLO C=C(C)CN(Cc1ccccc1)c1nnc(C[NH+]2CCC(CO)CC2)n1C ZINC001338367272 1055450428 /nfs/dbraw/zinc/45/04/28/1055450428.db2.gz QRQVLOOZZQORRS-UHFFFAOYSA-N 1 2 369.513 2.602 20 30 FFEDLO C=CCC1(C(=O)N2CCC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001356351495 1055468277 /nfs/dbraw/zinc/46/82/77/1055468277.db2.gz MINSVZIBNQLTMA-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC1(C(=O)N2CCC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001356351495 1055468285 /nfs/dbraw/zinc/46/82/85/1055468285.db2.gz MINSVZIBNQLTMA-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO Cn1c(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)nnc1C(C)(C)CC#N ZINC001338394266 1055472785 /nfs/dbraw/zinc/47/27/85/1055472785.db2.gz IFRQSHLKRQZBSJ-UHFFFAOYSA-N 1 2 372.904 2.982 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1ccccc1O ZINC001356379683 1055480563 /nfs/dbraw/zinc/48/05/63/1055480563.db2.gz YGTOPGRXJCJQPB-UHFFFAOYSA-N 1 2 368.485 2.733 20 30 FFEDLO CSc1ccc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1C#N ZINC001350112431 1055629492 /nfs/dbraw/zinc/62/94/92/1055629492.db2.gz DXIPFCJGUDFGJP-UHFFFAOYSA-N 1 2 367.478 2.707 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001350724522 1055910401 /nfs/dbraw/zinc/91/04/01/1055910401.db2.gz NFFZFKWJNQWEGW-UHFFFAOYSA-N 1 2 368.407 2.607 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC001338896717 1055914510 /nfs/dbraw/zinc/91/45/10/1055914510.db2.gz XNPCDKYJRCISPZ-WNHJNPCNSA-N 1 2 367.497 2.584 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC001338896717 1055914524 /nfs/dbraw/zinc/91/45/24/1055914524.db2.gz XNPCDKYJRCISPZ-WNHJNPCNSA-N 1 2 367.497 2.584 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCO[C@@H](CC(F)(F)F)C1 ZINC001338926451 1055940646 /nfs/dbraw/zinc/94/06/46/1055940646.db2.gz CQXYYATWMZFHIA-AWEZNQCLSA-N 1 2 373.423 2.608 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(CC)C1CC(C)(C)C1 ZINC001338962989 1055970004 /nfs/dbraw/zinc/97/00/04/1055970004.db2.gz CZQUHPGJCUOPFS-UHFFFAOYSA-N 1 2 361.534 2.683 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(CC#N)CC1 ZINC001351527116 1056308740 /nfs/dbraw/zinc/30/87/40/1056308740.db2.gz SCHMXVGGAQWEQW-QZTJIDSGSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(CC#N)CC1 ZINC001351527116 1056308750 /nfs/dbraw/zinc/30/87/50/1056308750.db2.gz SCHMXVGGAQWEQW-QZTJIDSGSA-N 1 2 370.501 2.520 20 30 FFEDLO C[C@@H]1CN(c2nnc(C3CC[NH+](CCC#N)CC3)n2C)[C@H]2CCCC[C@H]12 ZINC001339630358 1056656048 /nfs/dbraw/zinc/65/60/48/1056656048.db2.gz XVOBOTDARBGHEY-NXHRZFHOSA-N 1 2 356.518 2.923 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C)CC1 ZINC001359029359 1056665609 /nfs/dbraw/zinc/66/56/09/1056665609.db2.gz VTSFPBDLSGZMLL-UHFFFAOYSA-N 1 2 351.498 2.688 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CC2(CCOCC)CC2)CC1 ZINC001359028726 1056665677 /nfs/dbraw/zinc/66/56/77/1056665677.db2.gz CDZKUKQLQLEKHN-UHFFFAOYSA-N 1 2 373.545 2.538 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2C[C@H]2CCCCS2)CC1 ZINC001359035542 1056668416 /nfs/dbraw/zinc/66/84/16/1056668416.db2.gz XFKGEIFCVCCXBE-QGZVFWFLSA-N 1 2 359.543 2.587 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 ZINC001359036521 1056668817 /nfs/dbraw/zinc/66/88/17/1056668817.db2.gz YMGDCLBEXYMDRZ-GHTZIAJQSA-N 1 2 373.545 2.580 20 30 FFEDLO C=CCN(C)c1nnc(CC)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001359241451 1056861571 /nfs/dbraw/zinc/86/15/71/1056861571.db2.gz RFQRWLYVMCERQY-LJQANCHMSA-N 1 2 369.513 2.845 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC001544876893 1071706396 /nfs/dbraw/zinc/70/63/96/1071706396.db2.gz DIKFLDHUAQTBQE-AWEZNQCLSA-N 1 2 366.343 2.931 20 30 FFEDLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1 ZINC001446383560 1058515395 /nfs/dbraw/zinc/51/53/95/1058515395.db2.gz TXGPIDQBKGMPAZ-HNNXBMFYSA-N 1 2 373.453 2.559 20 30 FFEDLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1 ZINC001446383560 1058515412 /nfs/dbraw/zinc/51/54/12/1058515412.db2.gz TXGPIDQBKGMPAZ-HNNXBMFYSA-N 1 2 373.453 2.559 20 30 FFEDLO C#CCN(CC#CC)c1nnc(C(C)C)n1CCc1cn2ccccc2[nH+]1 ZINC001300554595 1058755570 /nfs/dbraw/zinc/75/55/70/1058755570.db2.gz FYPVHJAWNWLDNA-UHFFFAOYSA-N 1 2 360.465 2.755 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCOC1 ZINC001519584122 1058854661 /nfs/dbraw/zinc/85/46/61/1058854661.db2.gz OTIFYNYXTWFNPA-ZWKOTPCHSA-N 1 2 372.517 2.601 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCOC1 ZINC001519584122 1058854682 /nfs/dbraw/zinc/85/46/82/1058854682.db2.gz OTIFYNYXTWFNPA-ZWKOTPCHSA-N 1 2 372.517 2.601 20 30 FFEDLO COc1cc[nH+]cc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC1 ZINC001504452511 1059181232 /nfs/dbraw/zinc/18/12/32/1059181232.db2.gz AVMRXZORLKMSOP-UHFFFAOYSA-N 1 2 360.421 2.869 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccccc2C)CC1 ZINC001300695670 1059380122 /nfs/dbraw/zinc/38/01/22/1059380122.db2.gz FQLVTQNPQGJLKP-UHFFFAOYSA-N 1 2 374.492 2.580 20 30 FFEDLO CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC001546063056 1059552468 /nfs/dbraw/zinc/55/24/68/1059552468.db2.gz DREAHCNMXIGEPF-OAHLLOKOSA-N 1 2 360.458 2.701 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)[C@@H](C)c1ccco1 ZINC001515547678 1059695270 /nfs/dbraw/zinc/69/52/70/1059695270.db2.gz AJIFKCGIFNSDMK-INIZCTEOSA-N 1 2 373.501 2.849 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CCc2ccccc2F)CC1 ZINC001507732385 1059701878 /nfs/dbraw/zinc/70/18/78/1059701878.db2.gz UWSICGCBMHDQJV-UHFFFAOYSA-N 1 2 367.472 2.683 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccn3C)n2CC2CCCCC2)CC1 ZINC001507725698 1059702417 /nfs/dbraw/zinc/70/24/17/1059702417.db2.gz YYRDJURHFVFNEK-UHFFFAOYSA-N 1 2 366.513 2.619 20 30 FFEDLO C=CCC1(C(=O)N2CC([C@H](C)NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCC1 ZINC001509452086 1060082111 /nfs/dbraw/zinc/08/21/11/1060082111.db2.gz HIKRUZZPZKRZOY-USXIJHARSA-N 1 2 370.497 2.613 20 30 FFEDLO C=CCC1(C(=O)N2CC([C@H](C)NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCC1 ZINC001509452086 1060082134 /nfs/dbraw/zinc/08/21/34/1060082134.db2.gz HIKRUZZPZKRZOY-USXIJHARSA-N 1 2 370.497 2.613 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCCO1 ZINC001516568130 1060149028 /nfs/dbraw/zinc/14/90/28/1060149028.db2.gz VSKOIVDUIWURFD-QZTJIDSGSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCCO1 ZINC001516568130 1060149036 /nfs/dbraw/zinc/14/90/36/1060149036.db2.gz VSKOIVDUIWURFD-QZTJIDSGSA-N 1 2 372.517 2.744 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1C ZINC001521073214 1060360651 /nfs/dbraw/zinc/36/06/51/1060360651.db2.gz IINBJEIKAQIGFE-SIFCLUCFSA-N 1 2 354.454 2.656 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1C ZINC001355724395 1060535115 /nfs/dbraw/zinc/53/51/15/1060535115.db2.gz QLALHSBEJACQPA-SFHVURJKSA-N 1 2 373.476 2.929 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1C ZINC001355724395 1060535132 /nfs/dbraw/zinc/53/51/32/1060535132.db2.gz QLALHSBEJACQPA-SFHVURJKSA-N 1 2 373.476 2.929 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001355876590 1060686109 /nfs/dbraw/zinc/68/61/09/1060686109.db2.gz ODBRHORXSMTHPD-XDNAFOTISA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001355876590 1060686117 /nfs/dbraw/zinc/68/61/17/1060686117.db2.gz ODBRHORXSMTHPD-XDNAFOTISA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@]2(CC=CCC2)C1 ZINC001355918925 1060725719 /nfs/dbraw/zinc/72/57/19/1060725719.db2.gz FGJRBCKUTSAAAS-FUHIMQAGSA-N 1 2 357.502 2.528 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@]2(CC=CCC2)C1 ZINC001355918925 1060725735 /nfs/dbraw/zinc/72/57/35/1060725735.db2.gz FGJRBCKUTSAAAS-FUHIMQAGSA-N 1 2 357.502 2.528 20 30 FFEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC001459928826 1060851199 /nfs/dbraw/zinc/85/11/99/1060851199.db2.gz CHVCIPWDAVSIEX-RBUKOAKNSA-N 1 2 367.424 2.848 20 30 FFEDLO C[C@@H]1CCN(S(=O)(=O)c2cccc(C#N)c2Cl)C[C@@H]1n1cc[nH+]c1 ZINC001475089645 1060940629 /nfs/dbraw/zinc/94/06/29/1060940629.db2.gz YVWPQFPAYFSQPN-OCCSQVGLSA-N 1 2 364.858 2.680 20 30 FFEDLO C=CCO[C@H]1CCN(c2nnc(C3CC3)n2CCCNc2cccc[nH+]2)C1 ZINC001359320802 1060943554 /nfs/dbraw/zinc/94/35/54/1060943554.db2.gz VTQIXQYSUUNLFP-KRWDZBQOSA-N 1 2 368.485 2.834 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](CO)c2cc(F)ccc2F)c(C#N)c1C ZINC001460950166 1061162671 /nfs/dbraw/zinc/16/26/71/1061162671.db2.gz NBZYLGPVLAUZDG-QFYYESIMSA-N 1 2 363.364 2.697 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC001475619489 1061169237 /nfs/dbraw/zinc/16/92/37/1061169237.db2.gz VRTSFXOQWANFIG-OAHLLOKOSA-N 1 2 358.448 2.536 20 30 FFEDLO N#Cc1cc(C(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)cnc1C(F)(F)F ZINC001522428201 1062171740 /nfs/dbraw/zinc/17/17/40/1062171740.db2.gz VERDPYRICYMEED-UHFFFAOYSA-N 1 2 363.343 2.790 20 30 FFEDLO C=CCOCC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H]1CC ZINC001479631357 1062655397 /nfs/dbraw/zinc/65/53/97/1062655397.db2.gz NIARQVDNVNLGTQ-RBUKOAKNSA-N 1 2 360.885 2.863 20 30 FFEDLO C=CCOCC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1CC ZINC001479631357 1062655404 /nfs/dbraw/zinc/65/54/04/1062655404.db2.gz NIARQVDNVNLGTQ-RBUKOAKNSA-N 1 2 360.885 2.863 20 30 FFEDLO CCc1ccc([C@H]2CN(S(=O)(=O)c3ccc(CC#N)cc3)CC[NH2+]2)cc1 ZINC001464885547 1062894310 /nfs/dbraw/zinc/89/43/10/1062894310.db2.gz SCAHFSURWHIPGJ-HXUWFJFHSA-N 1 2 369.490 2.650 20 30 FFEDLO C=CCCC(=O)NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCCC1 ZINC001532534682 1063108724 /nfs/dbraw/zinc/10/87/24/1063108724.db2.gz PBIKCHGJKUUXMW-BRWVUGGUSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCCC(=O)NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCCC1 ZINC001532534682 1063108733 /nfs/dbraw/zinc/10/87/33/1063108733.db2.gz PBIKCHGJKUUXMW-BRWVUGGUSA-N 1 2 358.486 2.661 20 30 FFEDLO COc1cc([C@H](C#N)NC(=O)c2cc3c[nH+]ccc3[nH]2)cc(OC)c1OC ZINC001442585967 1063543302 /nfs/dbraw/zinc/54/33/02/1063543302.db2.gz YXWGNWUSQPPXFJ-HNNXBMFYSA-N 1 2 366.377 2.583 20 30 FFEDLO C=CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001466893173 1063586025 /nfs/dbraw/zinc/58/60/25/1063586025.db2.gz RWGZKFHSEYQGRN-LPHOPBHVSA-N 1 2 369.465 2.777 20 30 FFEDLO C=CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001466893173 1063586041 /nfs/dbraw/zinc/58/60/41/1063586041.db2.gz RWGZKFHSEYQGRN-LPHOPBHVSA-N 1 2 369.465 2.777 20 30 FFEDLO N#Cc1cc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)ccn1 ZINC001467727103 1063833498 /nfs/dbraw/zinc/83/34/98/1063833498.db2.gz WCFCXCFJIANWTL-GOSISDBHSA-N 1 2 354.841 2.887 20 30 FFEDLO N#Cc1cc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)ccn1 ZINC001467727103 1063833503 /nfs/dbraw/zinc/83/35/03/1063833503.db2.gz WCFCXCFJIANWTL-GOSISDBHSA-N 1 2 354.841 2.887 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1CN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001574676503 1078056542 /nfs/dbraw/zinc/05/65/42/1078056542.db2.gz PVRQWZNACUBMEG-PXNSSMCTSA-N 1 2 358.486 2.517 20 30 FFEDLO C=C[C@H](C)ONC(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC001574872129 1078089816 /nfs/dbraw/zinc/08/98/16/1078089816.db2.gz HBWMCZUZZYESOT-LBPRGKRZSA-N 1 2 353.260 2.693 20 30 FFEDLO N#Cc1c[nH]c2cc(C(=O)N3CC[NH+](Cc4ccc(O)cc4)CC3)ccc12 ZINC001471137378 1064572327 /nfs/dbraw/zinc/57/23/27/1064572327.db2.gz AGHZIDJACAWKNJ-UHFFFAOYSA-N 1 2 360.417 2.703 20 30 FFEDLO C=CCCCC(=O)N(Cc1cn[nH]n1)C1CC[NH+](Cc2ccns2)CC1 ZINC001575087884 1078104638 /nfs/dbraw/zinc/10/46/38/1078104638.db2.gz PDFPDGBWKYBNSE-UHFFFAOYSA-N 1 2 374.514 2.611 20 30 FFEDLO C=CCCCC(=O)N(Cc1c[nH]nn1)C1CC[NH+](Cc2ccns2)CC1 ZINC001575087884 1078104641 /nfs/dbraw/zinc/10/46/41/1078104641.db2.gz PDFPDGBWKYBNSE-UHFFFAOYSA-N 1 2 374.514 2.611 20 30 FFEDLO CC1(C)Oc2ccsc2[C@H]([NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1O ZINC001473499840 1065274551 /nfs/dbraw/zinc/27/45/51/1065274551.db2.gz MKXIOGUZSLSVRZ-GOEBONIOSA-N 1 2 359.407 2.891 20 30 FFEDLO CC(C)[C@H](C(=O)Nc1nc2cc(C#N)ccc2[nH]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001557763122 1075886464 /nfs/dbraw/zinc/88/64/64/1075886464.db2.gz ZSWMEQVIRSLBLV-IIYDPXPESA-N 1 2 355.442 2.507 20 30 FFEDLO CC(C)[C@H](C(=O)Nc1nc2cc(C#N)ccc2[nH]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001557763122 1075886466 /nfs/dbraw/zinc/88/64/66/1075886466.db2.gz ZSWMEQVIRSLBLV-IIYDPXPESA-N 1 2 355.442 2.507 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC001564790608 1076660115 /nfs/dbraw/zinc/66/01/15/1076660115.db2.gz ZIMJFQDCJGXIJQ-MSOLQXFVSA-N 1 2 363.527 2.871 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCC[C@@](C)(C#N)C3)C2)c1 ZINC001565225585 1076699744 /nfs/dbraw/zinc/69/97/44/1076699744.db2.gz XXVAXSDWEKEYSM-FPOVZHCZSA-N 1 2 370.497 2.531 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCC[C@@](C)(C#N)C3)C2)c1 ZINC001565225585 1076699746 /nfs/dbraw/zinc/69/97/46/1076699746.db2.gz XXVAXSDWEKEYSM-FPOVZHCZSA-N 1 2 370.497 2.531 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nnc(C)[nH]2)C[C@H]1c1ccccc1 ZINC001565881211 1076775513 /nfs/dbraw/zinc/77/55/13/1076775513.db2.gz QOKJQYKETSHWPH-JCGIZDLHSA-N 1 2 353.470 2.725 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nnc(C)[nH]2)C[C@H]1c1ccccc1 ZINC001565881211 1076775516 /nfs/dbraw/zinc/77/55/16/1076775516.db2.gz QOKJQYKETSHWPH-JCGIZDLHSA-N 1 2 353.470 2.725 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001573091998 1077532363 /nfs/dbraw/zinc/53/23/63/1077532363.db2.gz YIGWCKNRUFKJGT-RBSFLKMASA-N 1 2 358.486 2.585 20 30 FFEDLO N#Cc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1 ZINC001587239181 1079759937 /nfs/dbraw/zinc/75/99/37/1079759937.db2.gz IUOLCXLXDUPWFX-UHFFFAOYSA-N 1 2 361.361 2.625 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001587585933 1079820185 /nfs/dbraw/zinc/82/01/85/1079820185.db2.gz HUYJFPVSUHCVHU-AWEZNQCLSA-N 1 2 364.453 2.814 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CCc2ccc(F)cc2)CC1 ZINC001588742152 1080177432 /nfs/dbraw/zinc/17/74/32/1080177432.db2.gz OKCKAXWGAJKBAF-KRWDZBQOSA-N 1 2 369.488 2.929 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554905 250075976 /nfs/dbraw/zinc/07/59/76/250075976.db2.gz VBHIAEQPHQDGHM-MRXNPFEDSA-N 1 2 359.433 2.579 20 30 FFEDLO CC(C)c1[nH+]c2c(n1C)CCN([C@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000106372792 250266215 /nfs/dbraw/zinc/26/62/15/250266215.db2.gz BRMDFZMNOFPINR-CQSZACIVSA-N 1 2 351.454 2.800 20 30 FFEDLO Cc1nc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)s1 ZINC000268737218 251370905 /nfs/dbraw/zinc/37/09/05/251370905.db2.gz QMTGTWRVQIMVRP-UHFFFAOYSA-N 1 2 354.479 2.519 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277634449 256219984 /nfs/dbraw/zinc/21/99/84/256219984.db2.gz BOQBSGJPFZHBTO-ZLDLUXBVSA-N 1 2 355.360 2.520 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277634449 256219986 /nfs/dbraw/zinc/21/99/86/256219986.db2.gz BOQBSGJPFZHBTO-ZLDLUXBVSA-N 1 2 355.360 2.520 20 30 FFEDLO Cc1nsc(NCc2ccccc2OCC[NH+]2CCOCC2)c1C#N ZINC000286491589 257039598 /nfs/dbraw/zinc/03/95/98/257039598.db2.gz ZMFCCYKULUGNBW-UHFFFAOYSA-N 1 2 358.467 2.646 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)C2)c(F)c1 ZINC000286693936 257049877 /nfs/dbraw/zinc/04/98/77/257049877.db2.gz BTYMEMRHBQKQMQ-MRXNPFEDSA-N 1 2 367.428 2.653 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000287207208 257077477 /nfs/dbraw/zinc/07/74/77/257077477.db2.gz DTAZSTACKXSLGC-LZWOXQAQSA-N 1 2 372.469 2.873 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000287207208 257077478 /nfs/dbraw/zinc/07/74/78/257077478.db2.gz DTAZSTACKXSLGC-LZWOXQAQSA-N 1 2 372.469 2.873 20 30 FFEDLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C[C@H]1C ZINC000287663076 257101379 /nfs/dbraw/zinc/10/13/79/257101379.db2.gz HGVIUTCMFAJOGZ-ABAIWWIYSA-N 1 2 351.244 2.952 20 30 FFEDLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C[C@H]1C ZINC000287663076 257101380 /nfs/dbraw/zinc/10/13/80/257101380.db2.gz HGVIUTCMFAJOGZ-ABAIWWIYSA-N 1 2 351.244 2.952 20 30 FFEDLO C[C@@H](O)c1ncc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000289029695 257249332 /nfs/dbraw/zinc/24/93/32/257249332.db2.gz GVJARUZTZGGZOP-OAHLLOKOSA-N 1 2 356.495 2.776 20 30 FFEDLO C[C@@H](O)c1ncc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000289029695 257249334 /nfs/dbraw/zinc/24/93/34/257249334.db2.gz GVJARUZTZGGZOP-OAHLLOKOSA-N 1 2 356.495 2.776 20 30 FFEDLO N#Cc1cc(F)cc(OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000289571699 257287717 /nfs/dbraw/zinc/28/77/17/257287717.db2.gz HXMMQRLAZQTQSZ-UHFFFAOYSA-N 1 2 369.396 2.547 20 30 FFEDLO N#Cc1ccc(C(F)(F)F)nc1N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000301252945 258037851 /nfs/dbraw/zinc/03/78/51/258037851.db2.gz CNMKUATYSPWHPK-CQSZACIVSA-N 1 2 354.376 2.663 20 30 FFEDLO COc1ccc2c(c1)OCC[N@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000328720345 258118859 /nfs/dbraw/zinc/11/88/59/258118859.db2.gz WCLYPHOBIGESCE-IBGZPJMESA-N 1 2 363.417 2.567 20 30 FFEDLO COc1ccc2c(c1)OCC[N@@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000328720345 258118860 /nfs/dbraw/zinc/11/88/60/258118860.db2.gz WCLYPHOBIGESCE-IBGZPJMESA-N 1 2 363.417 2.567 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)cc1F ZINC000302190196 258094158 /nfs/dbraw/zinc/09/41/58/258094158.db2.gz BBOXCTKDOZAZMO-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO N#Cc1cccc(C#N)c1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000302455616 258102392 /nfs/dbraw/zinc/10/23/92/258102392.db2.gz QHTPGSGGFGEEFY-UHFFFAOYSA-N 1 2 362.433 2.753 20 30 FFEDLO N#Cc1cc(F)c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c(F)c1 ZINC000301671609 258062463 /nfs/dbraw/zinc/06/24/63/258062463.db2.gz ZEAGVJOBZUKSCJ-MOPGFXCFSA-N 1 2 355.388 2.926 20 30 FFEDLO N#Cc1cc(F)c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c(F)c1 ZINC000301671609 258062465 /nfs/dbraw/zinc/06/24/65/258062465.db2.gz ZEAGVJOBZUKSCJ-MOPGFXCFSA-N 1 2 355.388 2.926 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](O)C2)c1C#N ZINC000331523240 258189637 /nfs/dbraw/zinc/18/96/37/258189637.db2.gz AAMZUKOLXWOMHT-UGSOOPFHSA-N 1 2 358.486 2.733 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](O)C2)c1C#N ZINC000331523240 258189638 /nfs/dbraw/zinc/18/96/38/258189638.db2.gz AAMZUKOLXWOMHT-UGSOOPFHSA-N 1 2 358.486 2.733 20 30 FFEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1)CCCC2 ZINC000328957762 258125246 /nfs/dbraw/zinc/12/52/46/258125246.db2.gz PKKSONVKNCATBH-IBGZPJMESA-N 1 2 363.465 2.946 20 30 FFEDLO CCN1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000331755593 258199402 /nfs/dbraw/zinc/19/94/02/258199402.db2.gz LYSKRDNXYNCKFK-OAHLLOKOSA-N 1 2 369.473 2.749 20 30 FFEDLO N#Cc1ccc(N2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)cc1Cl ZINC000078610447 132377249 /nfs/dbraw/zinc/37/72/49/132377249.db2.gz DHSIUHVYRLEWCC-GOSISDBHSA-N 1 2 354.841 2.560 20 30 FFEDLO CN(CC(=O)N(CCC#N)c1ccccc1)Cc1cn2c([nH+]1)CCCC2 ZINC000372998859 512125641 /nfs/dbraw/zinc/12/56/41/512125641.db2.gz QXQRWZHLXNQWQN-UHFFFAOYSA-N 1 2 351.454 2.598 20 30 FFEDLO N#CCCN(C(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000038276101 136118492 /nfs/dbraw/zinc/11/84/92/136118492.db2.gz GYEPDWXFYFCBHX-UHFFFAOYSA-N 1 2 366.440 2.895 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[S@](=O)CC[C@@H]2C)cc1OCCCC#N ZINC000373032944 512141359 /nfs/dbraw/zinc/14/13/59/512141359.db2.gz BGXSWUQRSORZGJ-IZHWHUGBSA-N 1 2 350.484 2.721 20 30 FFEDLO COc1ccc(C[N@H+]2CC[S@](=O)CC[C@@H]2C)cc1OCCCC#N ZINC000373032944 512141363 /nfs/dbraw/zinc/14/13/63/512141363.db2.gz BGXSWUQRSORZGJ-IZHWHUGBSA-N 1 2 350.484 2.721 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000370959110 512153335 /nfs/dbraw/zinc/15/33/35/512153335.db2.gz KEFTVBUTEPLKFL-INIZCTEOSA-N 1 2 367.453 2.806 20 30 FFEDLO C=CCc1ccc(OCC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c(OC)c1 ZINC000373063212 512154126 /nfs/dbraw/zinc/15/41/26/512154126.db2.gz KQEYINULBJDAFK-KRWDZBQOSA-N 1 2 369.465 2.942 20 30 FFEDLO Cn1cc(C[N@H+](CCO)Cc2cc(Br)ccc2F)cc1C#N ZINC000191294943 510591610 /nfs/dbraw/zinc/59/16/10/510591610.db2.gz QFVONQTXPDYITI-UHFFFAOYSA-N 1 2 366.234 2.793 20 30 FFEDLO Cn1cc(C[N@@H+](CCO)Cc2cc(Br)ccc2F)cc1C#N ZINC000191294943 510591616 /nfs/dbraw/zinc/59/16/16/510591616.db2.gz QFVONQTXPDYITI-UHFFFAOYSA-N 1 2 366.234 2.793 20 30 FFEDLO C=C(C)CN(CC)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000065697062 506346898 /nfs/dbraw/zinc/34/68/98/506346898.db2.gz ZFOVMMCAHXEYTL-UHFFFAOYSA-N 1 2 361.486 2.505 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ncccc2OCCCC#N)C1 ZINC000377292105 512203272 /nfs/dbraw/zinc/20/32/72/512203272.db2.gz PDZUEDYABZWQKX-OAHLLOKOSA-N 1 2 368.441 2.909 20 30 FFEDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000377292989 512204053 /nfs/dbraw/zinc/20/40/53/512204053.db2.gz DNWMMZPAGUGGLH-UHFFFAOYSA-N 1 2 364.858 2.565 20 30 FFEDLO C=CC[N@@H+](CCOc1ccc(OCCC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066559560 506552874 /nfs/dbraw/zinc/55/28/74/506552874.db2.gz DQBQYWTUBUTIRP-INIZCTEOSA-N 1 2 353.484 2.529 20 30 FFEDLO C=CC[N@H+](CCOc1ccc(OCCC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066559560 506552881 /nfs/dbraw/zinc/55/28/81/506552881.db2.gz DQBQYWTUBUTIRP-INIZCTEOSA-N 1 2 353.484 2.529 20 30 FFEDLO C[C@@H](C(=O)NCc1cccs1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000042133555 506602361 /nfs/dbraw/zinc/60/23/61/506602361.db2.gz ZOPKDMLYWWXOQH-AWEZNQCLSA-N 1 2 372.469 2.586 20 30 FFEDLO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1C ZINC000042978995 506683960 /nfs/dbraw/zinc/68/39/60/506683960.db2.gz BVCMBSQEDPJMTD-WIYYLYMNSA-N 1 2 356.514 2.868 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)c3cccc(CC#N)c3)c[nH+]2)C[C@H](C)O1 ZINC000044537479 506856059 /nfs/dbraw/zinc/85/60/59/506856059.db2.gz WZIZVRJYPHKWGM-HOTGVXAUSA-N 1 2 364.449 2.691 20 30 FFEDLO C=CC[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)Cc1cccs1 ZINC000015028302 507013329 /nfs/dbraw/zinc/01/33/29/507013329.db2.gz BFLKOXSGMPQVQD-UHFFFAOYSA-N 1 2 373.434 2.813 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)Cc1cccs1 ZINC000015028302 507013334 /nfs/dbraw/zinc/01/33/34/507013334.db2.gz BFLKOXSGMPQVQD-UHFFFAOYSA-N 1 2 373.434 2.813 20 30 FFEDLO Cc1ccc(OCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000017843338 507129970 /nfs/dbraw/zinc/12/99/70/507129970.db2.gz CKFANQOSVVGYOD-UHFFFAOYSA-N 1 2 363.461 2.898 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000068197946 507146691 /nfs/dbraw/zinc/14/66/91/507146691.db2.gz ALTWLFOVVZQTHQ-MRXNPFEDSA-N 1 2 365.433 2.796 20 30 FFEDLO N#CC1(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCCCC1 ZINC000057385756 507252072 /nfs/dbraw/zinc/25/20/72/507252072.db2.gz BSNSTELMIDKDPA-UHFFFAOYSA-N 1 2 368.481 2.680 20 30 FFEDLO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000069289375 507457485 /nfs/dbraw/zinc/45/74/85/507457485.db2.gz HGOLOIWJXRXKQT-SFHVURJKSA-N 1 2 363.461 2.978 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CSc1ccc(Cl)cc1 ZINC000060634339 507571517 /nfs/dbraw/zinc/57/15/17/507571517.db2.gz GUGZVNCSNRDXGJ-UHFFFAOYSA-N 1 2 367.902 2.507 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000070791483 507638305 /nfs/dbraw/zinc/63/83/05/507638305.db2.gz ZRALBTXCXKWAIZ-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(F)c(Cl)cc1Cl ZINC000070920458 507660716 /nfs/dbraw/zinc/66/07/16/507660716.db2.gz CKHVJFRBVGKHCZ-UHFFFAOYSA-N 1 2 374.243 2.821 20 30 FFEDLO C=CC[N@@H+](Cc1nnc2n1c1ccccc1c(=O)n2C)Cc1ccccc1 ZINC000027776422 507683634 /nfs/dbraw/zinc/68/36/34/507683634.db2.gz ZMURNCZPHCCJGF-UHFFFAOYSA-N 1 2 359.433 2.769 20 30 FFEDLO C=CC[N@H+](Cc1nnc2n1c1ccccc1c(=O)n2C)Cc1ccccc1 ZINC000027776422 507683640 /nfs/dbraw/zinc/68/36/40/507683640.db2.gz ZMURNCZPHCCJGF-UHFFFAOYSA-N 1 2 359.433 2.769 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3cc(F)cc(F)c3)CC2)cc1 ZINC000028972424 507753226 /nfs/dbraw/zinc/75/32/26/507753226.db2.gz FGLRJLKPXUQKMM-UHFFFAOYSA-N 1 2 370.403 2.593 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000029156831 507765591 /nfs/dbraw/zinc/76/55/91/507765591.db2.gz UQOGALGWSDOTEW-INIZCTEOSA-N 1 2 360.527 2.597 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1cc(F)ccc1F)Cc1ccc(C#N)cc1 ZINC000063754333 507767969 /nfs/dbraw/zinc/76/79/69/507767969.db2.gz BZKUHQUXTALCDV-UHFFFAOYSA-N 1 2 359.376 2.924 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1cc(F)ccc1F)Cc1ccc(C#N)cc1 ZINC000063754333 507767974 /nfs/dbraw/zinc/76/79/74/507767974.db2.gz BZKUHQUXTALCDV-UHFFFAOYSA-N 1 2 359.376 2.924 20 30 FFEDLO C[C@H]1CCCC[C@@H]1N(C)C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000051621475 507779100 /nfs/dbraw/zinc/77/91/00/507779100.db2.gz NFBRRXCNAGNYGE-RXVVDRJESA-N 1 2 368.525 2.713 20 30 FFEDLO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000051621475 507779105 /nfs/dbraw/zinc/77/91/05/507779105.db2.gz NFBRRXCNAGNYGE-RXVVDRJESA-N 1 2 368.525 2.713 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)N(C3CC3)C3CCCC3)CC2)cc1 ZINC000051621502 507779119 /nfs/dbraw/zinc/77/91/19/507779119.db2.gz MVEAXDCOWOTPPF-UHFFFAOYSA-N 1 2 366.509 2.609 20 30 FFEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)N(C3CC3)C3CCCC3)CC2)cc1 ZINC000051621502 507779124 /nfs/dbraw/zinc/77/91/24/507779124.db2.gz MVEAXDCOWOTPPF-UHFFFAOYSA-N 1 2 366.509 2.609 20 30 FFEDLO Cn1c(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)nc2cc(Cl)ccc21 ZINC000052508525 507811430 /nfs/dbraw/zinc/81/14/30/507811430.db2.gz XTJHXXBSIUGPLF-UHFFFAOYSA-N 1 2 366.856 2.816 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000030656672 507811844 /nfs/dbraw/zinc/81/18/44/507811844.db2.gz DIMDDJDIYCQKLA-INIZCTEOSA-N 1 2 360.417 2.887 20 30 FFEDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072632589 507834770 /nfs/dbraw/zinc/83/47/70/507834770.db2.gz ZZGASHOBUCAKGA-MRXNPFEDSA-N 1 2 374.510 2.574 20 30 FFEDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072632589 507834772 /nfs/dbraw/zinc/83/47/72/507834772.db2.gz ZZGASHOBUCAKGA-MRXNPFEDSA-N 1 2 374.510 2.574 20 30 FFEDLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N(C)CCC#N)c2c1C ZINC000078254216 507850984 /nfs/dbraw/zinc/85/09/84/507850984.db2.gz KUHNZNQMMZLSNC-UHFFFAOYSA-N 1 2 361.471 2.588 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H](C)S1 ZINC000072771565 507851257 /nfs/dbraw/zinc/85/12/57/507851257.db2.gz BVSGZRHSHCNRSQ-OKILXGFUSA-N 1 2 355.467 2.508 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H](C)S1 ZINC000072771565 507851258 /nfs/dbraw/zinc/85/12/58/507851258.db2.gz BVSGZRHSHCNRSQ-OKILXGFUSA-N 1 2 355.467 2.508 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2ccccc2OCC)CC1 ZINC000078606109 507888391 /nfs/dbraw/zinc/88/83/91/507888391.db2.gz XKZZMPNPFKINBN-SFHVURJKSA-N 1 2 357.498 2.796 20 30 FFEDLO COC(=O)c1cc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)oc1C ZINC000073105294 507894261 /nfs/dbraw/zinc/89/42/61/507894261.db2.gz QKLYURVREHQMAE-GFCCVEGCSA-N 1 2 355.394 2.705 20 30 FFEDLO COC(=O)c1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)oc1C ZINC000073105294 507894264 /nfs/dbraw/zinc/89/42/64/507894264.db2.gz QKLYURVREHQMAE-GFCCVEGCSA-N 1 2 355.394 2.705 20 30 FFEDLO N#CCCN(CCOc1ccc(Cl)cc1Cl)CC[NH+]1CCOCC1 ZINC000078686889 507897548 /nfs/dbraw/zinc/89/75/48/507897548.db2.gz MRXFADIZONLODN-UHFFFAOYSA-N 1 2 372.296 2.920 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCN(c2ccccn2)CC1 ZINC000073603182 507936334 /nfs/dbraw/zinc/93/63/34/507936334.db2.gz DDPMQTZNGNELNX-KRWDZBQOSA-N 1 2 370.522 2.868 20 30 FFEDLO Cc1ccn2cc(CNS(=O)(=O)c3ccc(Cl)c(C#N)c3)[nH+]c2c1 ZINC000079911544 508014370 /nfs/dbraw/zinc/01/43/70/508014370.db2.gz SFZFTZAWSDDJHQ-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO Cc1cc(C)n2c(C[NH+]3CCN(c4cccc(F)c4C#N)CC3)cnc2n1 ZINC000091918199 508024459 /nfs/dbraw/zinc/02/44/59/508024459.db2.gz KMFHUNWREDOMBW-UHFFFAOYSA-N 1 2 364.428 2.679 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000091936805 508026359 /nfs/dbraw/zinc/02/63/59/508026359.db2.gz PWAXIRQDXJYQTE-CYBMUJFWSA-N 1 2 356.499 2.813 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000091936805 508026360 /nfs/dbraw/zinc/02/63/60/508026360.db2.gz PWAXIRQDXJYQTE-CYBMUJFWSA-N 1 2 356.499 2.813 20 30 FFEDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000092042451 508036227 /nfs/dbraw/zinc/03/62/27/508036227.db2.gz LIDPKUADGFMCJY-IIBYNOLFSA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000092042451 508036229 /nfs/dbraw/zinc/03/62/29/508036229.db2.gz LIDPKUADGFMCJY-IIBYNOLFSA-N 1 2 352.434 2.719 20 30 FFEDLO C=CCOc1ccccc1CNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000110598658 508036817 /nfs/dbraw/zinc/03/68/17/508036817.db2.gz QGCIJDXYIQWTEW-MRXNPFEDSA-N 1 2 354.454 2.862 20 30 FFEDLO C=CCOc1ccccc1CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000110598658 508036818 /nfs/dbraw/zinc/03/68/18/508036818.db2.gz QGCIJDXYIQWTEW-MRXNPFEDSA-N 1 2 354.454 2.862 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2N2CCOCC2)c1 ZINC000092143710 508046311 /nfs/dbraw/zinc/04/63/11/508046311.db2.gz ZSCNCRAFXSOCET-UHFFFAOYSA-N 1 2 363.461 2.575 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2N2CCOCC2)c1 ZINC000092143710 508046314 /nfs/dbraw/zinc/04/63/14/508046314.db2.gz ZSCNCRAFXSOCET-UHFFFAOYSA-N 1 2 363.461 2.575 20 30 FFEDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000080906208 508110340 /nfs/dbraw/zinc/11/03/40/508110340.db2.gz AWTHUZWEOCYEOP-LJQANCHMSA-N 1 2 366.421 2.986 20 30 FFEDLO C=C(C)COc1cc(C[NH+]2CCN(Cc3noc(C)n3)CC2)ccc1OC ZINC000093274587 508132889 /nfs/dbraw/zinc/13/28/89/508132889.db2.gz ZBGNVSIIIQBJOW-UHFFFAOYSA-N 1 2 372.469 2.659 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](O)C2)c1C#N ZINC000093332807 508140257 /nfs/dbraw/zinc/14/02/57/508140257.db2.gz AAMZUKOLXWOMHT-FZKQIMNGSA-N 1 2 358.486 2.733 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c1C#N ZINC000093332807 508140261 /nfs/dbraw/zinc/14/02/61/508140261.db2.gz AAMZUKOLXWOMHT-FZKQIMNGSA-N 1 2 358.486 2.733 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+](C)[C@@H](C)CS(=O)(=O)CC)ccc1OC ZINC000093417477 508144799 /nfs/dbraw/zinc/14/47/99/508144799.db2.gz MEXIUCSCHJNIFT-HNNXBMFYSA-N 1 2 355.500 2.905 20 30 FFEDLO C=C(C)COc1cc(C[N@H+](C)[C@@H](C)CS(=O)(=O)CC)ccc1OC ZINC000093417477 508144801 /nfs/dbraw/zinc/14/48/01/508144801.db2.gz MEXIUCSCHJNIFT-HNNXBMFYSA-N 1 2 355.500 2.905 20 30 FFEDLO CN(Cc1cccc(C#N)c1)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000076094810 508158231 /nfs/dbraw/zinc/15/82/31/508158231.db2.gz RSWKABSJBOOESF-UHFFFAOYSA-N 1 2 351.332 2.659 20 30 FFEDLO C=CCN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000112630886 508203440 /nfs/dbraw/zinc/20/34/40/508203440.db2.gz CBMJQWJSOROQDJ-INIZCTEOSA-N 1 2 372.446 2.689 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000112658148 508206654 /nfs/dbraw/zinc/20/66/54/508206654.db2.gz CMWIDETXBPEDPL-IAGOWNOFSA-N 1 2 363.465 2.659 20 30 FFEDLO CCC[C@@H](C#N)N(C)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000410823850 512384770 /nfs/dbraw/zinc/38/47/70/512384770.db2.gz BECCSWHSGAZBHG-KRWDZBQOSA-N 1 2 353.426 2.676 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CCN(Cc2ccco2)CC1)Cc1cccs1 ZINC000076650777 508236616 /nfs/dbraw/zinc/23/66/16/508236616.db2.gz DNGLWTZUCUCZTN-UHFFFAOYSA-N 1 2 359.495 2.674 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CCN(Cc2ccco2)CC1)Cc1cccs1 ZINC000076650777 508236618 /nfs/dbraw/zinc/23/66/18/508236618.db2.gz DNGLWTZUCUCZTN-UHFFFAOYSA-N 1 2 359.495 2.674 20 30 FFEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N[C@@H](C)c3cccc(C#N)c3)ccc2n1C ZINC000076723921 508247255 /nfs/dbraw/zinc/24/72/55/508247255.db2.gz CJHBLZXIFJHBPW-LBPRGKRZSA-N 1 2 361.405 2.569 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1 ZINC000104725666 508343262 /nfs/dbraw/zinc/34/32/62/508343262.db2.gz VPPWKYBGMHDAPF-GOSISDBHSA-N 1 2 373.453 2.640 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1 ZINC000104725666 508343264 /nfs/dbraw/zinc/34/32/64/508343264.db2.gz VPPWKYBGMHDAPF-GOSISDBHSA-N 1 2 373.453 2.640 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606906 508378999 /nfs/dbraw/zinc/37/89/99/508378999.db2.gz CITZQVLYRIKJHI-AWEZNQCLSA-N 1 2 356.426 2.684 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606906 508379002 /nfs/dbraw/zinc/37/90/02/508379002.db2.gz CITZQVLYRIKJHI-AWEZNQCLSA-N 1 2 356.426 2.684 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115569985 508410279 /nfs/dbraw/zinc/41/02/79/508410279.db2.gz BXTFEEBHYKMNOP-IBGZPJMESA-N 1 2 362.433 2.624 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115569985 508410284 /nfs/dbraw/zinc/41/02/84/508410284.db2.gz BXTFEEBHYKMNOP-IBGZPJMESA-N 1 2 362.433 2.624 20 30 FFEDLO C=CCc1cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc(OC)c1OC ZINC000152348302 508428890 /nfs/dbraw/zinc/42/88/90/508428890.db2.gz RAKKLRXRLUMOAZ-QGZVFWFLSA-N 1 2 367.449 2.836 20 30 FFEDLO N#Cc1cccc(OCCCCC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000152498130 508458921 /nfs/dbraw/zinc/45/89/21/508458921.db2.gz VMXOVOZITLUODK-GOSISDBHSA-N 1 2 364.449 2.897 20 30 FFEDLO COc1ccc2c(c1)[C@H]([N@H+](CC(=O)NCC#N)Cc1ccccc1)CCO2 ZINC000127636265 508479871 /nfs/dbraw/zinc/47/98/71/508479871.db2.gz OCMBMJUYVXTMNK-LJQANCHMSA-N 1 2 365.433 2.661 20 30 FFEDLO COc1ccc2c(c1)[C@H]([N@@H+](CC(=O)NCC#N)Cc1ccccc1)CCO2 ZINC000127636265 508479872 /nfs/dbraw/zinc/47/98/72/508479872.db2.gz OCMBMJUYVXTMNK-LJQANCHMSA-N 1 2 365.433 2.661 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000156848933 508486415 /nfs/dbraw/zinc/48/64/15/508486415.db2.gz OGYUWBZNWULLLG-AEFFLSMTSA-N 1 2 374.462 2.513 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000156848933 508486417 /nfs/dbraw/zinc/48/64/17/508486417.db2.gz OGYUWBZNWULLLG-AEFFLSMTSA-N 1 2 374.462 2.513 20 30 FFEDLO Cc1cc(C#N)ccc1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000122394814 508528102 /nfs/dbraw/zinc/52/81/02/508528102.db2.gz BYVUJNPPISEELZ-HXUWFJFHSA-N 1 2 363.461 2.540 20 30 FFEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000153316641 508571465 /nfs/dbraw/zinc/57/14/65/508571465.db2.gz NOJMXYNSSMAFSD-YWZLYKJASA-N 1 2 365.481 2.963 20 30 FFEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000153316641 508571471 /nfs/dbraw/zinc/57/14/71/508571471.db2.gz NOJMXYNSSMAFSD-YWZLYKJASA-N 1 2 365.481 2.963 20 30 FFEDLO COCCN1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000123021198 508623175 /nfs/dbraw/zinc/62/31/75/508623175.db2.gz DKALPXRFJVKKEX-UHFFFAOYSA-N 1 2 365.477 2.901 20 30 FFEDLO COc1ccc(C[NH2+][C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc1C#N ZINC000157919575 508632393 /nfs/dbraw/zinc/63/23/93/508632393.db2.gz SENJKMMNALXXRF-AWEZNQCLSA-N 1 2 367.413 2.612 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c(C#N)c1C ZINC000135653311 508637912 /nfs/dbraw/zinc/63/79/12/508637912.db2.gz AKMOSRWLEPYANC-HNNXBMFYSA-N 1 2 357.483 2.918 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+](C)[C@H]2CCCc3c2cnn3C)c(C#N)c1C ZINC000135653311 508637917 /nfs/dbraw/zinc/63/79/17/508637917.db2.gz AKMOSRWLEPYANC-HNNXBMFYSA-N 1 2 357.483 2.918 20 30 FFEDLO CC[C@@]1(C)C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000135673457 508639991 /nfs/dbraw/zinc/63/99/91/508639991.db2.gz QZIBDUSIKUMFCO-SFHVURJKSA-N 1 2 368.399 2.674 20 30 FFEDLO CC[C@@]1(C)C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000135673457 508639992 /nfs/dbraw/zinc/63/99/92/508639992.db2.gz QZIBDUSIKUMFCO-SFHVURJKSA-N 1 2 368.399 2.674 20 30 FFEDLO C=CCNc1ncc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000136212857 508679179 /nfs/dbraw/zinc/67/91/79/508679179.db2.gz IHUIUXSBOYIVJS-UHFFFAOYSA-N 1 2 357.414 2.996 20 30 FFEDLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000159327951 508825628 /nfs/dbraw/zinc/82/56/28/508825628.db2.gz NFHQVEIMEBVMTB-UZLBHIALSA-N 1 2 353.466 2.598 20 30 FFEDLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000159327951 508825632 /nfs/dbraw/zinc/82/56/32/508825632.db2.gz NFHQVEIMEBVMTB-UZLBHIALSA-N 1 2 353.466 2.598 20 30 FFEDLO COCc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 ZINC000119627419 508831922 /nfs/dbraw/zinc/83/19/22/508831922.db2.gz MOOGVIVVVSKUEZ-UHFFFAOYSA-N 1 2 368.393 2.868 20 30 FFEDLO CCOC(=O)C1CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000124488010 508840333 /nfs/dbraw/zinc/84/03/33/508840333.db2.gz MYJZFLIGIJTBTF-UHFFFAOYSA-N 1 2 352.438 2.828 20 30 FFEDLO COc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)cc1OCCCC#N ZINC000130800271 508848354 /nfs/dbraw/zinc/84/83/54/508848354.db2.gz SAAZHKNOUJYQIM-IBGZPJMESA-N 1 2 371.412 2.833 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000124675551 508867457 /nfs/dbraw/zinc/86/74/57/508867457.db2.gz SWQYDPKHLSFOHB-UHFFFAOYSA-N 1 2 372.432 2.742 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000124675551 508867461 /nfs/dbraw/zinc/86/74/61/508867461.db2.gz SWQYDPKHLSFOHB-UHFFFAOYSA-N 1 2 372.432 2.742 20 30 FFEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000124686068 508869374 /nfs/dbraw/zinc/86/93/74/508869374.db2.gz ABYOIXZUCSXLEQ-UHFFFAOYSA-N 1 2 367.449 2.613 20 30 FFEDLO N#CCCN(C(=O)CSCC[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000159760658 508886382 /nfs/dbraw/zinc/88/63/82/508886382.db2.gz RVBYUWRTPMULOA-UHFFFAOYSA-N 1 2 367.902 2.652 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC1(C(=O)OC)CCCCC1)Cc1cccs1 ZINC000120416610 508991646 /nfs/dbraw/zinc/99/16/46/508991646.db2.gz WWOQNKIUUCOIMJ-UHFFFAOYSA-N 1 2 350.484 2.728 20 30 FFEDLO C=CC[N@H+](CC(=O)NC1(C(=O)OC)CCCCC1)Cc1cccs1 ZINC000120416610 508991649 /nfs/dbraw/zinc/99/16/49/508991649.db2.gz WWOQNKIUUCOIMJ-UHFFFAOYSA-N 1 2 350.484 2.728 20 30 FFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CSc2ccc(C#N)cc2)C1 ZINC000120829209 509072189 /nfs/dbraw/zinc/07/21/89/509072189.db2.gz ZLSZOMAHXIPKLG-MRXNPFEDSA-N 1 2 354.479 2.865 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@]1(C#N)CCC[C@H](C)C1)CC2 ZINC000151832188 509092743 /nfs/dbraw/zinc/09/27/43/509092743.db2.gz SGOXQVGVVKNQFR-BTYIYWSLSA-N 1 2 371.481 2.651 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@]1(C#N)CCC[C@H](C)C1)CC2 ZINC000151832188 509092746 /nfs/dbraw/zinc/09/27/46/509092746.db2.gz SGOXQVGVVKNQFR-BTYIYWSLSA-N 1 2 371.481 2.651 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cccc(Br)c1 ZINC000151904042 509107567 /nfs/dbraw/zinc/10/75/67/509107567.db2.gz VAQYLUJWHXXUIX-DOMZBBRYSA-N 1 2 359.227 2.589 20 30 FFEDLO N#C[C@@H](NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1)C1CC1 ZINC000182410416 509223736 /nfs/dbraw/zinc/22/37/36/509223736.db2.gz CHCWTRFUTQMZJX-MRXNPFEDSA-N 1 2 350.422 2.575 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)CC1 ZINC000266917469 509256580 /nfs/dbraw/zinc/25/65/80/509256580.db2.gz JEQYGBVRBIXRLY-HNNXBMFYSA-N 1 2 356.495 2.525 20 30 FFEDLO C=C(C)[C@@H](NC(=O)C(=O)Nc1c[nH+]ccc1OC)c1ccc(F)c(F)c1 ZINC000185769249 509346871 /nfs/dbraw/zinc/34/68/71/509346871.db2.gz PMYBNXHHUZDHPZ-MRXNPFEDSA-N 1 2 361.348 2.741 20 30 FFEDLO C=C(C)[C@@H](NC(=O)N(C)CC[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000185846289 509384282 /nfs/dbraw/zinc/38/42/82/509384282.db2.gz SVEABKLDBILSOW-QGZVFWFLSA-N 1 2 353.413 2.556 20 30 FFEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2nccc(C(C)C)n2)CC1 ZINC000185862195 509391801 /nfs/dbraw/zinc/39/18/01/509391801.db2.gz YDCQOEKWETXFEY-UHFFFAOYSA-N 1 2 351.454 2.802 20 30 FFEDLO C#CCCOc1ccc(CNc2cccc(CN3CCOCC3)[nH+]2)cc1 ZINC000179449845 509448502 /nfs/dbraw/zinc/44/85/02/509448502.db2.gz CTIWSGZQSZHLSA-UHFFFAOYSA-N 1 2 351.450 2.928 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267357999 509466489 /nfs/dbraw/zinc/46/64/89/509466489.db2.gz KSYLCCRVFKUQPX-HNNXBMFYSA-N 1 2 368.437 2.709 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c(C#N)c1C ZINC000179514799 509489860 /nfs/dbraw/zinc/48/98/60/509489860.db2.gz PFCUCVPWUUEHTB-CQSZACIVSA-N 1 2 368.441 2.582 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c(C#N)c1C ZINC000179514799 509489867 /nfs/dbraw/zinc/48/98/67/509489867.db2.gz PFCUCVPWUUEHTB-CQSZACIVSA-N 1 2 368.441 2.582 20 30 FFEDLO COCC[N@H+](Cc1ccco1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192540350 509549579 /nfs/dbraw/zinc/54/95/79/509549579.db2.gz NDSQAVMWIKCRKI-LJQANCHMSA-N 1 2 353.422 2.795 20 30 FFEDLO COCC[N@@H+](Cc1ccco1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192540350 509549584 /nfs/dbraw/zinc/54/95/84/509549584.db2.gz NDSQAVMWIKCRKI-LJQANCHMSA-N 1 2 353.422 2.795 20 30 FFEDLO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000249102799 509605470 /nfs/dbraw/zinc/60/54/70/509605470.db2.gz PVYOZOXPVAGHJY-LALPHHSUSA-N 1 2 363.845 2.670 20 30 FFEDLO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000249102799 509605475 /nfs/dbraw/zinc/60/54/75/509605475.db2.gz PVYOZOXPVAGHJY-LALPHHSUSA-N 1 2 363.845 2.670 20 30 FFEDLO Cc1nc(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)ccc1C#N ZINC000176620355 509613571 /nfs/dbraw/zinc/61/35/71/509613571.db2.gz KUPKZVKJEZPFGL-OAHLLOKOSA-N 1 2 352.413 2.920 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000186297049 509630972 /nfs/dbraw/zinc/63/09/72/509630972.db2.gz OJLOXZYUJFWCJG-SFHVURJKSA-N 1 2 374.488 2.826 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OCc2cccnc2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000264716668 509663340 /nfs/dbraw/zinc/66/33/40/509663340.db2.gz NUWLOBJITWKGEE-LJQANCHMSA-N 1 2 372.490 2.836 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OCc2cccnc2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000264716668 509663344 /nfs/dbraw/zinc/66/33/44/509663344.db2.gz NUWLOBJITWKGEE-LJQANCHMSA-N 1 2 372.490 2.836 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2ccc(F)cc2C#N)c1C ZINC000176784650 509688587 /nfs/dbraw/zinc/68/85/87/509688587.db2.gz DIYZIZDUHGGXTO-UHFFFAOYSA-N 1 2 363.414 2.539 20 30 FFEDLO C=C(C)CN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000183418430 509776688 /nfs/dbraw/zinc/77/66/88/509776688.db2.gz QMSYKJXTZSSYBM-DLBZAZTESA-N 1 2 351.878 2.929 20 30 FFEDLO C=C(C)CN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000183418430 509776693 /nfs/dbraw/zinc/77/66/93/509776693.db2.gz QMSYKJXTZSSYBM-DLBZAZTESA-N 1 2 351.878 2.929 20 30 FFEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177015392 509819773 /nfs/dbraw/zinc/81/97/73/509819773.db2.gz PCASCFQORDETGZ-GOSISDBHSA-N 1 2 373.928 2.710 20 30 FFEDLO CCC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@H](C)C(=O)Nc1ccccc1 ZINC000245199103 509880101 /nfs/dbraw/zinc/88/01/01/509880101.db2.gz BBPMQYOYRNPWBJ-IAGOWNOFSA-N 1 2 358.486 2.734 20 30 FFEDLO CCC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@H](C)C(=O)Nc1ccccc1 ZINC000245199103 509880104 /nfs/dbraw/zinc/88/01/04/509880104.db2.gz BBPMQYOYRNPWBJ-IAGOWNOFSA-N 1 2 358.486 2.734 20 30 FFEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000268475895 509955109 /nfs/dbraw/zinc/95/51/09/509955109.db2.gz NEILERWEDDEODW-WBVHZDCISA-N 1 2 366.469 2.628 20 30 FFEDLO Cc1nnc([C@H]2CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000268475895 509955111 /nfs/dbraw/zinc/95/51/11/509955111.db2.gz NEILERWEDDEODW-WBVHZDCISA-N 1 2 366.469 2.628 20 30 FFEDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000268475895 509955117 /nfs/dbraw/zinc/95/51/17/509955117.db2.gz NEILERWEDDEODW-WBVHZDCISA-N 1 2 366.469 2.628 20 30 FFEDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000268475895 509955122 /nfs/dbraw/zinc/95/51/22/509955122.db2.gz NEILERWEDDEODW-WBVHZDCISA-N 1 2 366.469 2.628 20 30 FFEDLO Cc1nc([C@H]2CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n[nH]1 ZINC000268475895 509955128 /nfs/dbraw/zinc/95/51/28/509955128.db2.gz NEILERWEDDEODW-WBVHZDCISA-N 1 2 366.469 2.628 20 30 FFEDLO Cc1nc([C@H]2CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n[nH]1 ZINC000268475895 509955135 /nfs/dbraw/zinc/95/51/35/509955135.db2.gz NEILERWEDDEODW-WBVHZDCISA-N 1 2 366.469 2.628 20 30 FFEDLO COCCC1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000268558825 510009028 /nfs/dbraw/zinc/00/90/28/510009028.db2.gz OMZRVSZMPHXKBQ-UHFFFAOYSA-N 1 2 370.497 2.592 20 30 FFEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000174225947 510011435 /nfs/dbraw/zinc/01/14/35/510011435.db2.gz XASBXTDSPJEVSL-HNNXBMFYSA-N 1 2 362.474 2.575 20 30 FFEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000193769141 510059534 /nfs/dbraw/zinc/05/95/34/510059534.db2.gz BNQVXWJKWJNQQY-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO CCc1nsc(N2CCC[N@H+](Cc3cn4ccccc4c3C#N)CC2)n1 ZINC000174514817 510154238 /nfs/dbraw/zinc/15/42/38/510154238.db2.gz DWDBXYQKZKEDNV-UHFFFAOYSA-N 1 2 366.494 2.937 20 30 FFEDLO CCc1nsc(N2CCC[N@@H+](Cc3cn4ccccc4c3C#N)CC2)n1 ZINC000174514817 510154242 /nfs/dbraw/zinc/15/42/42/510154242.db2.gz DWDBXYQKZKEDNV-UHFFFAOYSA-N 1 2 366.494 2.937 20 30 FFEDLO CN(Cc1ccccc1)C(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000174576635 510189213 /nfs/dbraw/zinc/18/92/13/510189213.db2.gz NNRCDZPYRNITDY-NRFANRHFSA-N 1 2 362.477 2.527 20 30 FFEDLO N#Cc1ccc(NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c(Cl)c1 ZINC000269156054 510262947 /nfs/dbraw/zinc/26/29/47/510262947.db2.gz SDYXFIIXHLDADS-UHFFFAOYSA-N 1 2 371.828 2.765 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Br)c(F)c1 ZINC000177815138 510269037 /nfs/dbraw/zinc/26/90/37/510269037.db2.gz MTGGQYMPIUZKHB-UHFFFAOYSA-N 1 2 370.266 2.636 20 30 FFEDLO C[C@H]1CCN(C(=O)NCc2ccc(OCC#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000177815959 510269358 /nfs/dbraw/zinc/26/93/58/510269358.db2.gz HDFJKCQNUUNMSV-YJBOKZPZSA-N 1 2 353.426 2.578 20 30 FFEDLO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1nccs1 ZINC000184420064 510315900 /nfs/dbraw/zinc/31/59/00/510315900.db2.gz ZAFBAIDTCWJNRA-LBPRGKRZSA-N 1 2 367.396 2.980 20 30 FFEDLO N#Cc1ccccc1CSCCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177916649 510324636 /nfs/dbraw/zinc/32/46/36/510324636.db2.gz WKRQJMGOXRJIKH-UHFFFAOYSA-N 1 2 365.462 2.939 20 30 FFEDLO Cn1cc([C@@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)c2ccc(F)cc2)cn1 ZINC000184593256 510404715 /nfs/dbraw/zinc/40/47/15/510404715.db2.gz XELBFRLLBHDYON-FQEVSTJZSA-N 1 2 363.396 2.749 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000184596725 510407121 /nfs/dbraw/zinc/40/71/21/510407121.db2.gz MJBKHHICIJYSDI-UHFFFAOYSA-N 1 2 373.888 2.574 20 30 FFEDLO N#C[C@H](c1ccc(Br)cc1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000181437637 510407911 /nfs/dbraw/zinc/40/79/11/510407911.db2.gz MOXOQLBIILGKNR-OAHLLOKOSA-N 1 2 360.259 2.555 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(F)c(F)cc3F)CC2)cc1 ZINC000269467259 510421128 /nfs/dbraw/zinc/42/11/28/510421128.db2.gz HYEXYHBDLPAUJO-UHFFFAOYSA-N 1 2 359.351 2.934 20 30 FFEDLO COc1ccc(Cl)cc1NC(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000266209835 510463223 /nfs/dbraw/zinc/46/32/23/510463223.db2.gz NXSGUXILLPHGGW-NSHDSACASA-N 1 2 357.838 2.637 20 30 FFEDLO CCOC(=O)Nc1ccc(NC(=O)[C@@H](C)[NH+]2CCSCC2)cc1C#N ZINC000269780213 510544656 /nfs/dbraw/zinc/54/46/56/510544656.db2.gz IRTCCUPZHDDEOP-GFCCVEGCSA-N 1 2 362.455 2.502 20 30 FFEDLO CCOC(=O)Nc1ccc(NC(=O)[C@H](C)[NH+]2CCSCC2)cc1C#N ZINC000269780216 510544954 /nfs/dbraw/zinc/54/49/54/510544954.db2.gz IRTCCUPZHDDEOP-LBPRGKRZSA-N 1 2 362.455 2.502 20 30 FFEDLO Cc1nc(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)ccc1C#N ZINC000181787511 510591745 /nfs/dbraw/zinc/59/17/45/510591745.db2.gz SVNUAOJWVCDQKA-UHFFFAOYSA-N 1 2 371.444 2.899 20 30 FFEDLO Cc1nc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)ccc1C#N ZINC000178476985 510623572 /nfs/dbraw/zinc/62/35/72/510623572.db2.gz SWPWQKBNLOKNQV-UHFFFAOYSA-N 1 2 354.841 2.873 20 30 FFEDLO Cc1ncc(C[NH+]2CCN(C(=O)Nc3cccc(C#N)c3C)CC2)s1 ZINC000178536108 510652804 /nfs/dbraw/zinc/65/28/04/510652804.db2.gz XPWORKRMNAUQNE-UHFFFAOYSA-N 1 2 355.467 2.981 20 30 FFEDLO COC(=O)c1ccc(F)c(C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000181909434 510654007 /nfs/dbraw/zinc/65/40/07/510654007.db2.gz OHTILHUOCSAPRA-UHFFFAOYSA-N 1 2 353.397 2.806 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000266552514 510654529 /nfs/dbraw/zinc/65/45/29/510654529.db2.gz UYPNNJIPXYWCOF-INIZCTEOSA-N 1 2 374.448 2.882 20 30 FFEDLO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000246804168 510685634 /nfs/dbraw/zinc/68/56/34/510685634.db2.gz QVQUKNPHSIFJTF-MRXNPFEDSA-N 1 2 373.464 2.553 20 30 FFEDLO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000246804168 510685636 /nfs/dbraw/zinc/68/56/36/510685636.db2.gz QVQUKNPHSIFJTF-MRXNPFEDSA-N 1 2 373.464 2.553 20 30 FFEDLO COCCOc1cccc(CNC(=O)C[N@H+](CCC#N)CCC(C)C)c1 ZINC000266748701 510764421 /nfs/dbraw/zinc/76/44/21/510764421.db2.gz PMFFQSNLYIIZJP-UHFFFAOYSA-N 1 2 361.486 2.590 20 30 FFEDLO COCCOc1cccc(CNC(=O)C[N@@H+](CCC#N)CCC(C)C)c1 ZINC000266748701 510764425 /nfs/dbraw/zinc/76/44/25/510764425.db2.gz PMFFQSNLYIIZJP-UHFFFAOYSA-N 1 2 361.486 2.590 20 30 FFEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O)ccc1Cl ZINC000185421752 510841482 /nfs/dbraw/zinc/84/14/82/510841482.db2.gz QYCSNDOIWAIBGI-BSEYFRJRSA-N 1 2 369.918 2.594 20 30 FFEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O)ccc1Cl ZINC000185421752 510841483 /nfs/dbraw/zinc/84/14/83/510841483.db2.gz QYCSNDOIWAIBGI-BSEYFRJRSA-N 1 2 369.918 2.594 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000172673257 510841729 /nfs/dbraw/zinc/84/17/29/510841729.db2.gz QKIPAUGSMQVNHX-UHFFFAOYSA-N 1 2 370.478 2.731 20 30 FFEDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000247671243 510868307 /nfs/dbraw/zinc/86/83/07/510868307.db2.gz QWFCNSJFGMLCEL-MLGOLLRUSA-N 1 2 364.858 2.680 20 30 FFEDLO Cc1nc(C)c(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)nc1C ZINC000329909086 510875136 /nfs/dbraw/zinc/87/51/36/510875136.db2.gz UULHRTMEMGCOJB-UHFFFAOYSA-N 1 2 366.425 2.751 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C3CC3)nn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000329928605 510880556 /nfs/dbraw/zinc/88/05/56/510880556.db2.gz YAQKZCJSYBLOLQ-WMZOPIPTSA-N 1 2 373.407 2.825 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C3CC3)nn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000329928605 510880560 /nfs/dbraw/zinc/88/05/60/510880560.db2.gz YAQKZCJSYBLOLQ-WMZOPIPTSA-N 1 2 373.407 2.825 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000275357422 510882747 /nfs/dbraw/zinc/88/27/47/510882747.db2.gz VTBACHMMWMAQFM-BBRMVZONSA-N 1 2 359.817 2.987 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000285391065 510888890 /nfs/dbraw/zinc/88/88/90/510888890.db2.gz SLNWLOJZOHYMBJ-RXVVDRJESA-N 1 2 371.481 2.512 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000285391065 510888895 /nfs/dbraw/zinc/88/88/95/510888895.db2.gz SLNWLOJZOHYMBJ-RXVVDRJESA-N 1 2 371.481 2.512 20 30 FFEDLO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)NCC1CCOCC1 ZINC000329970955 510890288 /nfs/dbraw/zinc/89/02/88/510890288.db2.gz YDXRCCVQPWAWKT-GJZGRUSLSA-N 1 2 355.479 2.591 20 30 FFEDLO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)NCC1CCOCC1 ZINC000329970955 510890289 /nfs/dbraw/zinc/89/02/89/510890289.db2.gz YDXRCCVQPWAWKT-GJZGRUSLSA-N 1 2 355.479 2.591 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+]1CCOc2cc(O)ccc2C1)c1ccccc1 ZINC000285398122 510891557 /nfs/dbraw/zinc/89/15/57/510891557.db2.gz DZOFZGLKLNILCK-UHFFFAOYSA-N 1 2 351.406 2.533 20 30 FFEDLO N#CCCN(C(=O)C[N@H+]1CCOc2cc(O)ccc2C1)c1ccccc1 ZINC000285398122 510891559 /nfs/dbraw/zinc/89/15/59/510891559.db2.gz DZOFZGLKLNILCK-UHFFFAOYSA-N 1 2 351.406 2.533 20 30 FFEDLO O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329993198 510896130 /nfs/dbraw/zinc/89/61/30/510896130.db2.gz LDXBUDKIIHXLKZ-IRXDYDNUSA-N 1 2 373.501 2.684 20 30 FFEDLO CC[C@H](NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1)c1c(C)noc1C ZINC000329996522 510896390 /nfs/dbraw/zinc/89/63/90/510896390.db2.gz PAYZIJUYHYWSHN-GJZGRUSLSA-N 1 2 360.462 2.758 20 30 FFEDLO CCN1CCN(C(=O)Nc2cc(Cl)ccc2OC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330050093 510906299 /nfs/dbraw/zinc/90/62/99/510906299.db2.gz KCDYYOGFIRQBER-CQSZACIVSA-N 1 2 363.849 2.996 20 30 FFEDLO C=CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000282272343 510910994 /nfs/dbraw/zinc/91/09/94/510910994.db2.gz MHWVVGZWFKLOHC-UHFFFAOYSA-N 1 2 350.426 2.754 20 30 FFEDLO CC(C)Oc1cccc(CNC(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c1 ZINC000330083615 510912656 /nfs/dbraw/zinc/91/26/56/510912656.db2.gz BLJUIXMMWHROJN-OXJNMPFZSA-N 1 2 362.470 2.810 20 30 FFEDLO CC(C)Oc1cccc(CNC(=O)C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c1 ZINC000330083615 510912663 /nfs/dbraw/zinc/91/26/63/510912663.db2.gz BLJUIXMMWHROJN-OXJNMPFZSA-N 1 2 362.470 2.810 20 30 FFEDLO C[C@@H]1C[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](C)S1=O ZINC000330096989 510915235 /nfs/dbraw/zinc/91/52/35/510915235.db2.gz AGLYRIRNISYYEC-VXGBXAGGSA-N 1 2 365.524 2.928 20 30 FFEDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)N1CCO[C@H](C2CC2)C1 ZINC000330142197 510924815 /nfs/dbraw/zinc/92/48/15/510924815.db2.gz QKSINHNFYGGSLF-SFHVURJKSA-N 1 2 358.486 2.987 20 30 FFEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000330161275 510927409 /nfs/dbraw/zinc/92/74/09/510927409.db2.gz SWHXSWQKKZZGMN-CYBMUJFWSA-N 1 2 367.858 2.659 20 30 FFEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000330161277 510927552 /nfs/dbraw/zinc/92/75/52/510927552.db2.gz SWHXSWQKKZZGMN-ZDUSSCGKSA-N 1 2 367.858 2.659 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F)C1CCOCC1 ZINC000330211634 510939123 /nfs/dbraw/zinc/93/91/23/510939123.db2.gz JKZTYQNXKIBOPG-JJRVBVJISA-N 1 2 368.428 2.779 20 30 FFEDLO C=CC[C@@]1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000276644257 510944529 /nfs/dbraw/zinc/94/45/29/510944529.db2.gz XYZUBHRQRIAFCN-BEFAXECRSA-N 1 2 362.474 2.734 20 30 FFEDLO Cn1cc(-c2nc(C(=O)N[C@@H]3CCO[C@H](c4c[nH+]cn4C)C3)cs2)cn1 ZINC000330327173 510964472 /nfs/dbraw/zinc/96/44/72/510964472.db2.gz KSQHXNSHVWEWOI-DOMZBBRYSA-N 1 2 372.454 2.502 20 30 FFEDLO CO[C@H](C)c1cccc(NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c1 ZINC000330354725 510973559 /nfs/dbraw/zinc/97/35/59/510973559.db2.gz PTBWWEKAAQEQEI-PBHICJAKSA-N 1 2 357.458 2.662 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C)CCC2 ZINC000330393728 510977034 /nfs/dbraw/zinc/97/70/34/510977034.db2.gz IGZAMLQGNYKWRL-GJZGRUSLSA-N 1 2 363.506 2.512 20 30 FFEDLO C=CCc1cc(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)cc(OC)c1O ZINC000278653271 511002885 /nfs/dbraw/zinc/00/28/85/511002885.db2.gz JVMFQYDTMGHTTE-MRXNPFEDSA-N 1 2 353.484 2.528 20 30 FFEDLO C=CCc1cc(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)cc(OC)c1O ZINC000278653271 511002888 /nfs/dbraw/zinc/00/28/88/511002888.db2.gz JVMFQYDTMGHTTE-MRXNPFEDSA-N 1 2 353.484 2.528 20 30 FFEDLO CC(C)CC[C@H](C)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330727536 511013502 /nfs/dbraw/zinc/01/35/02/511013502.db2.gz GIRHHRAPYGAVMA-HNNXBMFYSA-N 1 2 361.490 2.620 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000279241644 511022677 /nfs/dbraw/zinc/02/26/77/511022677.db2.gz SOXNZLKANTYXTO-BVIKNXMNSA-N 1 2 364.511 2.607 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000279241644 511022682 /nfs/dbraw/zinc/02/26/82/511022682.db2.gz SOXNZLKANTYXTO-BVIKNXMNSA-N 1 2 364.511 2.607 20 30 FFEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC000331353360 511064792 /nfs/dbraw/zinc/06/47/92/511064792.db2.gz OXRFFAAMNXSNSF-ZYHUDNBSSA-N 1 2 369.206 2.512 20 30 FFEDLO COc1ccncc1CO[NH+]=C(N)c1cc(Cl)c(OC)c(OC)c1 ZINC000288736373 511084080 /nfs/dbraw/zinc/08/40/80/511084080.db2.gz WWFJNJRJQQZSRM-UHFFFAOYSA-N 1 2 351.790 2.598 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCC1(C)C ZINC000297941896 511118324 /nfs/dbraw/zinc/11/83/24/511118324.db2.gz ZYAVQXRUZAECMG-HOTGVXAUSA-N 1 2 358.486 2.709 20 30 FFEDLO Cc1cnn([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)c1 ZINC000290082770 511127077 /nfs/dbraw/zinc/12/70/77/511127077.db2.gz ZBLKCCOJSVERNX-OAHLLOKOSA-N 1 2 355.467 2.693 20 30 FFEDLO Cc1cnn([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)c1 ZINC000290082770 511127081 /nfs/dbraw/zinc/12/70/81/511127081.db2.gz ZBLKCCOJSVERNX-OAHLLOKOSA-N 1 2 355.467 2.693 20 30 FFEDLO CS(=O)(=O)c1cccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000294852714 511199419 /nfs/dbraw/zinc/19/94/19/511199419.db2.gz OZLSZMAPAAYQOF-UHFFFAOYSA-N 1 2 369.490 2.674 20 30 FFEDLO CS(=O)(=O)c1cccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000294852714 511199423 /nfs/dbraw/zinc/19/94/23/511199423.db2.gz OZLSZMAPAAYQOF-UHFFFAOYSA-N 1 2 369.490 2.674 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000365018560 511208487 /nfs/dbraw/zinc/20/84/87/511208487.db2.gz OYAMKCBZKPUYSK-KRWDZBQOSA-N 1 2 358.829 2.959 20 30 FFEDLO N#C[C@@]1(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CC12CCCC2 ZINC000333375013 511222479 /nfs/dbraw/zinc/22/24/79/511222479.db2.gz ALOCAZCQZDEMGE-HXUWFJFHSA-N 1 2 365.437 2.812 20 30 FFEDLO C=CCc1cc(C(=O)NCc2ccc(N(C)C)[nH+]c2)cc(OC)c1OC ZINC000298313161 511242422 /nfs/dbraw/zinc/24/24/22/511242422.db2.gz SNKXKCZBRGNJHR-UHFFFAOYSA-N 1 2 355.438 2.823 20 30 FFEDLO CCOC(=O)Nc1ccc(NC(=O)N(C)Cc2[nH+]ccn2C)cc1C#N ZINC000271757659 511313540 /nfs/dbraw/zinc/31/35/40/511313540.db2.gz AEEQVRYLDDGELD-UHFFFAOYSA-N 1 2 356.386 2.524 20 30 FFEDLO CCn1cc[nH+]c1CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000298537578 511321088 /nfs/dbraw/zinc/32/10/88/511321088.db2.gz VWFVVBLNTWUVCT-UHFFFAOYSA-N 1 2 353.426 2.528 20 30 FFEDLO COc1ccccc1C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@H]1CCCO1 ZINC000298721069 511386703 /nfs/dbraw/zinc/38/67/03/511386703.db2.gz NVKBZIIBYRKBPC-WIYYLYMNSA-N 1 2 373.497 2.731 20 30 FFEDLO COc1ccccc1C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@H]1CCCO1 ZINC000298721069 511386709 /nfs/dbraw/zinc/38/67/09/511386709.db2.gz NVKBZIIBYRKBPC-WIYYLYMNSA-N 1 2 373.497 2.731 20 30 FFEDLO COc1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cc(OC)c1O ZINC000298799111 511414465 /nfs/dbraw/zinc/41/44/65/511414465.db2.gz LAZHXDVCSLMLFQ-UHFFFAOYSA-N 1 2 367.449 2.599 20 30 FFEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)c1cn(CCC#N)c3ccccc13)CCO2 ZINC000280351029 511431895 /nfs/dbraw/zinc/43/18/95/511431895.db2.gz IHGLIRNATTZODR-HRAATJIYSA-N 1 2 367.449 2.617 20 30 FFEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)c1cn(CCC#N)c3ccccc13)CCO2 ZINC000280351029 511431899 /nfs/dbraw/zinc/43/18/99/511431899.db2.gz IHGLIRNATTZODR-HRAATJIYSA-N 1 2 367.449 2.617 20 30 FFEDLO C=C(C)Cn1c(N2CCN(c3cc[nH+]c(C)n3)CC2)nnc1C(C)(C)C ZINC000283693836 511463783 /nfs/dbraw/zinc/46/37/83/511463783.db2.gz UERLKQDUPCCWGO-UHFFFAOYSA-N 1 2 355.490 2.577 20 30 FFEDLO Cn1c[nH+]cc1CN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000272617330 511501268 /nfs/dbraw/zinc/50/12/68/511501268.db2.gz IHEISLFVRLHYDR-QGZVFWFLSA-N 1 2 374.286 2.565 20 30 FFEDLO COC(=O)C(C)(C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000299063333 511502278 /nfs/dbraw/zinc/50/22/78/511502278.db2.gz TUXXYDLCTAQJFI-UHFFFAOYSA-N 1 2 363.483 2.758 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292272412 511531728 /nfs/dbraw/zinc/53/17/28/511531728.db2.gz ZQXICLQRLQNIDK-INIZCTEOSA-N 1 2 359.495 2.989 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292272412 511531732 /nfs/dbraw/zinc/53/17/32/511531732.db2.gz ZQXICLQRLQNIDK-INIZCTEOSA-N 1 2 359.495 2.989 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC3(CCC3)[C@@H]2c2ccccc2)nc1 ZINC000295850700 511536107 /nfs/dbraw/zinc/53/61/07/511536107.db2.gz DJKJXJIJNJOXKD-IBGZPJMESA-N 1 2 367.474 2.954 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC3(CCC3)[C@@H]2c2ccccc2)nc1 ZINC000295850700 511536110 /nfs/dbraw/zinc/53/61/10/511536110.db2.gz DJKJXJIJNJOXKD-IBGZPJMESA-N 1 2 367.474 2.954 20 30 FFEDLO C[C@@]12CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C[C@@H]1C2(Cl)Cl ZINC000283943004 511551846 /nfs/dbraw/zinc/55/18/46/511551846.db2.gz AGUSGNLWDPVOEW-LSDHHAIUSA-N 1 2 373.305 2.848 20 30 FFEDLO C[C@@]12CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C[C@@H]1C2(Cl)Cl ZINC000283943004 511551851 /nfs/dbraw/zinc/55/18/51/511551851.db2.gz AGUSGNLWDPVOEW-LSDHHAIUSA-N 1 2 373.305 2.848 20 30 FFEDLO CC(C)c1nn(C)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000280694175 511565863 /nfs/dbraw/zinc/56/58/63/511565863.db2.gz HASXVAKRXCYPQZ-UHFFFAOYSA-N 1 2 366.469 2.765 20 30 FFEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3cc(C#N)oc3C)CCCC2)no1 ZINC000280748140 511587438 /nfs/dbraw/zinc/58/74/38/511587438.db2.gz MCAIUQWDCPGKIQ-UHFFFAOYSA-N 1 2 371.441 2.884 20 30 FFEDLO C=CCN1C(=O)N(CCCNc2cccc[nH+]2)C(=O)[C@@H]1Cc1ccccc1 ZINC000349244681 511596540 /nfs/dbraw/zinc/59/65/40/511596540.db2.gz SJDBZRDYXYFBLW-SFHVURJKSA-N 1 2 364.449 2.945 20 30 FFEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000273763683 511600699 /nfs/dbraw/zinc/60/06/99/511600699.db2.gz RCUNEEVMNVUKNS-UHFFFAOYSA-N 1 2 374.404 2.682 20 30 FFEDLO COc1cc(OC)cc([C@@H](Nc2nc(C)cc(C#N)n2)c2[nH+]ccn2C)c1 ZINC000280918176 511652444 /nfs/dbraw/zinc/65/24/44/511652444.db2.gz FQYYTOPZKAVRAW-QGZVFWFLSA-N 1 2 364.409 2.609 20 30 FFEDLO Cn1cc(Br)c(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000292590912 511653595 /nfs/dbraw/zinc/65/35/95/511653595.db2.gz KIUSBJLNQMVLHU-UHFFFAOYSA-N 1 2 374.286 2.767 20 30 FFEDLO Cn1cc(Br)c(C[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000292590912 511653598 /nfs/dbraw/zinc/65/35/98/511653598.db2.gz KIUSBJLNQMVLHU-UHFFFAOYSA-N 1 2 374.286 2.767 20 30 FFEDLO COc1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc(OC)c1O ZINC000284294963 511672808 /nfs/dbraw/zinc/67/28/08/511672808.db2.gz UPGOOZLVTOVWMR-GOSISDBHSA-N 1 2 367.449 2.792 20 30 FFEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000284362510 511696337 /nfs/dbraw/zinc/69/63/37/511696337.db2.gz DKQLMSASRASHOM-OAHLLOKOSA-N 1 2 369.490 2.928 20 30 FFEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000284362510 511696339 /nfs/dbraw/zinc/69/63/39/511696339.db2.gz DKQLMSASRASHOM-OAHLLOKOSA-N 1 2 369.490 2.928 20 30 FFEDLO C=CCN1CC[C@H](Sc2nnc([C@@H](CC)[NH+](C)C)n2CCCC)C1=O ZINC000281047098 511699953 /nfs/dbraw/zinc/69/99/53/511699953.db2.gz RZHLEPUQDREBLS-CABCVRRESA-N 1 2 365.547 2.970 20 30 FFEDLO Cc1csc(C2([NH2+]CCS(=O)(=O)c3ccc(C#N)cc3)CCC2)n1 ZINC000274058994 511707250 /nfs/dbraw/zinc/70/72/50/511707250.db2.gz QBIOFXPWQKPXEM-UHFFFAOYSA-N 1 2 361.492 2.766 20 30 FFEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccccc3-c3ccccc3C#N)C[C@H]21 ZINC000284573969 511777226 /nfs/dbraw/zinc/77/72/26/511777226.db2.gz RHZJIMCLRHKKSC-RTWAWAEBSA-N 1 2 361.445 2.770 20 30 FFEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccccc3-c3ccccc3C#N)C[C@H]21 ZINC000284573969 511777228 /nfs/dbraw/zinc/77/72/28/511777228.db2.gz RHZJIMCLRHKKSC-RTWAWAEBSA-N 1 2 361.445 2.770 20 30 FFEDLO N#CC1(CCCO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)CCOCC1 ZINC000281310536 511799157 /nfs/dbraw/zinc/79/91/57/511799157.db2.gz KNUCZFDHYISAID-UHFFFAOYSA-N 1 2 371.485 2.809 20 30 FFEDLO CC(C)(CC#N)CS(=O)(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000296694017 511857166 /nfs/dbraw/zinc/85/71/66/511857166.db2.gz MBNCRKGPGVZKCO-UHFFFAOYSA-N 1 2 364.515 2.821 20 30 FFEDLO CSCCCCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000274735318 511925403 /nfs/dbraw/zinc/92/54/03/511925403.db2.gz BUVOMDNXKYDPJH-UHFFFAOYSA-N 1 2 360.527 2.919 20 30 FFEDLO Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000328915820 511950284 /nfs/dbraw/zinc/95/02/84/511950284.db2.gz JXLYFPRVVNTHIO-IAQYHMDHSA-N 1 2 361.471 2.620 20 30 FFEDLO Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000328915820 511950285 /nfs/dbraw/zinc/95/02/85/511950285.db2.gz JXLYFPRVVNTHIO-IAQYHMDHSA-N 1 2 361.471 2.620 20 30 FFEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000328920179 511950358 /nfs/dbraw/zinc/95/03/58/511950358.db2.gz BUOAPPTUCMGUBJ-ZBFHGGJFSA-N 1 2 359.474 2.507 20 30 FFEDLO Cc1cn2nc(N3CC[NH+]([C@H](C)C(=O)NC4CCCC4)CC3)sc2n1 ZINC000329032424 511970672 /nfs/dbraw/zinc/97/06/72/511970672.db2.gz XNGVVROFFXLOML-CYBMUJFWSA-N 1 2 362.503 2.509 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)NCCC3CCCCC3)CC[C@@H]21 ZINC000329048648 511973596 /nfs/dbraw/zinc/97/35/96/511973596.db2.gz VTYKMFGCNWYDMX-SJORKVTESA-N 1 2 350.507 2.994 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)NCCC3CCCCC3)CC[C@@H]21 ZINC000329048648 511973597 /nfs/dbraw/zinc/97/35/97/511973597.db2.gz VTYKMFGCNWYDMX-SJORKVTESA-N 1 2 350.507 2.994 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)[C@@H]2CCC(C)(C)O2)CCC(=O)N1C1CC1 ZINC000329061814 511975430 /nfs/dbraw/zinc/97/54/30/511975430.db2.gz ZKYLFRDUGGIWJK-UKPHBRMFSA-N 1 2 360.458 2.529 20 30 FFEDLO C[C@@H](c1cccc(NC(=O)N2CCOC3(CCC3)C2)c1)[NH+]1CCOCC1 ZINC000329116488 511986106 /nfs/dbraw/zinc/98/61/06/511986106.db2.gz IQGFHGPQCAIFON-INIZCTEOSA-N 1 2 359.470 2.880 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000281857623 511991520 /nfs/dbraw/zinc/99/15/20/511991520.db2.gz YTZJLGDXPSPENU-INIZCTEOSA-N 1 2 362.430 2.830 20 30 FFEDLO O=C(NC1CCCC1)N1CCC[C@@H](C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000329148644 511993880 /nfs/dbraw/zinc/99/38/80/511993880.db2.gz PWBFUVBJCMCARE-ZBFHGGJFSA-N 1 2 359.474 2.642 20 30 FFEDLO C#Cc1ccc(CNC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1 ZINC000297087272 512014754 /nfs/dbraw/zinc/01/47/54/512014754.db2.gz MXXZOBWBPJRKMP-UHFFFAOYSA-N 1 2 350.422 2.530 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)N[C@@H]3CCOc4ccccc43)C2)[nH]1 ZINC000329256685 512015476 /nfs/dbraw/zinc/01/54/76/512015476.db2.gz AZYHUSLHVKIKCP-GDBMZVCRSA-N 1 2 355.442 2.773 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCOc4ccccc43)C2)[nH]1 ZINC000329256685 512015484 /nfs/dbraw/zinc/01/54/84/512015484.db2.gz AZYHUSLHVKIKCP-GDBMZVCRSA-N 1 2 355.442 2.773 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)N[C@@H]3CCOc4ccccc43)C2)n1 ZINC000329256685 512015489 /nfs/dbraw/zinc/01/54/89/512015489.db2.gz AZYHUSLHVKIKCP-GDBMZVCRSA-N 1 2 355.442 2.773 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCOc4ccccc43)C2)n1 ZINC000329256685 512015493 /nfs/dbraw/zinc/01/54/93/512015493.db2.gz AZYHUSLHVKIKCP-GDBMZVCRSA-N 1 2 355.442 2.773 20 30 FFEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N[C@@H]3CCOc4ccccc43)C2)n[nH]1 ZINC000329256685 512015498 /nfs/dbraw/zinc/01/54/98/512015498.db2.gz AZYHUSLHVKIKCP-GDBMZVCRSA-N 1 2 355.442 2.773 20 30 FFEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCOc4ccccc43)C2)n[nH]1 ZINC000329256685 512015504 /nfs/dbraw/zinc/01/55/04/512015504.db2.gz AZYHUSLHVKIKCP-GDBMZVCRSA-N 1 2 355.442 2.773 20 30 FFEDLO C#CCOc1ccc(CNC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1 ZINC000297170516 512046810 /nfs/dbraw/zinc/04/68/10/512046810.db2.gz VRRMXFIGMZTYAC-QGZVFWFLSA-N 1 2 352.438 2.725 20 30 FFEDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1cnc2c(c1)CCCC2 ZINC000329440551 512047411 /nfs/dbraw/zinc/04/74/11/512047411.db2.gz JXCNYHYBXWZQLC-UHFFFAOYSA-N 1 2 367.453 2.718 20 30 FFEDLO CC(C)[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CCS1 ZINC000329444270 512047628 /nfs/dbraw/zinc/04/76/28/512047628.db2.gz KQFTUSISDIUPKR-JKSUJKDBSA-N 1 2 366.531 2.875 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cccc3c2OCO3)CC1 ZINC000329447123 512048875 /nfs/dbraw/zinc/04/88/75/512048875.db2.gz LJBTYJSFJDAKOD-AWEZNQCLSA-N 1 2 354.410 2.735 20 30 FFEDLO O=C(CNC(=O)C[N@@H+]1CCOCC2(CC2)C1)Nc1ccc(F)c(F)c1 ZINC000329461271 512052212 /nfs/dbraw/zinc/05/22/12/512052212.db2.gz PRQAGMMIQGIDOM-UHFFFAOYSA-N 1 2 353.369 2.622 20 30 FFEDLO O=C(CNC(=O)C[N@H+]1CCOCC2(CC2)C1)Nc1ccc(F)c(F)c1 ZINC000329461271 512052217 /nfs/dbraw/zinc/05/22/17/512052217.db2.gz PRQAGMMIQGIDOM-UHFFFAOYSA-N 1 2 353.369 2.622 20 30 FFEDLO O=C(NCc1cccc(N2CCC2=O)c1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329532387 512064556 /nfs/dbraw/zinc/06/45/56/512064556.db2.gz XDRLXZBMUQSCSM-GOSISDBHSA-N 1 2 357.454 2.523 20 30 FFEDLO O=C(NCc1cccc(N2CCC2=O)c1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329532387 512064563 /nfs/dbraw/zinc/06/45/63/512064563.db2.gz XDRLXZBMUQSCSM-GOSISDBHSA-N 1 2 357.454 2.523 20 30 FFEDLO C[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CCC1(F)F ZINC000329547705 512067860 /nfs/dbraw/zinc/06/78/60/512067860.db2.gz BBKAIVAYYSITMQ-TZMCWYRMSA-N 1 2 356.417 2.779 20 30 FFEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCSc3ccccc32)CC1 ZINC000329623659 512078757 /nfs/dbraw/zinc/07/87/57/512078757.db2.gz HONMKSZENGHBOS-MRXNPFEDSA-N 1 2 361.511 2.777 20 30 FFEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCSc3ccccc32)CC1 ZINC000329623659 512078760 /nfs/dbraw/zinc/07/87/60/512078760.db2.gz HONMKSZENGHBOS-MRXNPFEDSA-N 1 2 361.511 2.777 20 30 FFEDLO O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000329665782 512083979 /nfs/dbraw/zinc/08/39/79/512083979.db2.gz QYIBJULPKBKEKU-SLEUVZQESA-N 1 2 366.845 2.792 20 30 FFEDLO O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000329665782 512083983 /nfs/dbraw/zinc/08/39/83/512083983.db2.gz QYIBJULPKBKEKU-SLEUVZQESA-N 1 2 366.845 2.792 20 30 FFEDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCC(OCC2CC2)CC1 ZINC000329768488 512094982 /nfs/dbraw/zinc/09/49/82/512094982.db2.gz GTLQAZUNFFDROO-UHFFFAOYSA-N 1 2 358.486 2.855 20 30 FFEDLO C[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@@H](CO)O1 ZINC000329822935 512101649 /nfs/dbraw/zinc/10/16/49/512101649.db2.gz QDXVVOIFYVRNIR-KSSFIOAISA-N 1 2 370.453 2.514 20 30 FFEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@H]3CCCCC3(C)C)ccn2)CC1 ZINC000329825149 512102158 /nfs/dbraw/zinc/10/21/58/512102158.db2.gz IAIVGDUKAMYQDJ-KRWDZBQOSA-N 1 2 373.501 2.573 20 30 FFEDLO N#CCC1(CNC(=O)C2CCN(c3ccc4cccc(O)c4[nH+]3)CC2)CC1 ZINC000373819725 512520740 /nfs/dbraw/zinc/52/07/40/512520740.db2.gz NNJSFKGHMNGVEN-UHFFFAOYSA-N 1 2 364.449 2.967 20 30 FFEDLO Cc1cc(-c2noc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)n2)ccc1F ZINC000371835187 512596287 /nfs/dbraw/zinc/59/62/87/512596287.db2.gz RAJOEESJPZYNOA-BFUOFWGJSA-N 1 2 373.432 2.889 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000373985165 512607391 /nfs/dbraw/zinc/60/73/91/512607391.db2.gz VUCWGHKDCQHPNG-AXHMDWHKSA-N 1 2 357.454 2.544 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000373985165 512607396 /nfs/dbraw/zinc/60/73/96/512607396.db2.gz VUCWGHKDCQHPNG-AXHMDWHKSA-N 1 2 357.454 2.544 20 30 FFEDLO C=CCOc1ccc(CNC(=O)NCc2cccnc2-n2cc[nH+]c2)cc1 ZINC000367754667 512648256 /nfs/dbraw/zinc/64/82/56/512648256.db2.gz WVTFIABTKPYLNA-UHFFFAOYSA-N 1 2 363.421 2.832 20 30 FFEDLO C=CCN(CCc1ccco1)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000378492645 512788236 /nfs/dbraw/zinc/78/82/36/512788236.db2.gz HKCRPTSSIBOIHY-UHFFFAOYSA-N 1 2 351.410 2.801 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCOC[C@H](C)C2)c1C#N ZINC000374365243 512793401 /nfs/dbraw/zinc/79/34/01/512793401.db2.gz QVQTUIVRMZIYAI-CQSZACIVSA-N 1 2 370.453 2.525 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCOC[C@H](C)C2)c1C#N ZINC000374365243 512793404 /nfs/dbraw/zinc/79/34/04/512793404.db2.gz QVQTUIVRMZIYAI-CQSZACIVSA-N 1 2 370.453 2.525 20 30 FFEDLO CC(C)(C#N)CC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000376724103 512959704 /nfs/dbraw/zinc/95/97/04/512959704.db2.gz WILUCFOHZRYYGA-UHFFFAOYSA-N 1 2 373.888 2.962 20 30 FFEDLO CC(C)(C#N)CC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000376724103 512959709 /nfs/dbraw/zinc/95/97/09/512959709.db2.gz WILUCFOHZRYYGA-UHFFFAOYSA-N 1 2 373.888 2.962 20 30 FFEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000372609262 512968078 /nfs/dbraw/zinc/96/80/78/512968078.db2.gz JELQQTQRFXLABW-QGZVFWFLSA-N 1 2 351.454 2.756 20 30 FFEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000372609262 512968083 /nfs/dbraw/zinc/96/80/83/512968083.db2.gz JELQQTQRFXLABW-QGZVFWFLSA-N 1 2 351.454 2.756 20 30 FFEDLO C[C@H](C#N)CN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000372841010 513068907 /nfs/dbraw/zinc/06/89/07/513068907.db2.gz LWKMAOLZCZLOHA-XOKHGSTOSA-N 1 2 364.877 2.513 20 30 FFEDLO C[C@H](C#N)CN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000372841010 513068910 /nfs/dbraw/zinc/06/89/10/513068910.db2.gz LWKMAOLZCZLOHA-XOKHGSTOSA-N 1 2 364.877 2.513 20 30 FFEDLO C=CCN1CC(=O)N([C@H]2CC[N@@H+](CC)[C@@H]2c2cc(F)c(F)c(F)c2)C1=O ZINC000372967017 513117498 /nfs/dbraw/zinc/11/74/98/513117498.db2.gz SPXOMRQOVGDXRF-WMLDXEAASA-N 1 2 367.371 2.689 20 30 FFEDLO C=CCN1CC(=O)N([C@H]2CC[N@H+](CC)[C@@H]2c2cc(F)c(F)c(F)c2)C1=O ZINC000372967017 513117500 /nfs/dbraw/zinc/11/75/00/513117500.db2.gz SPXOMRQOVGDXRF-WMLDXEAASA-N 1 2 367.371 2.689 20 30 FFEDLO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000439647185 513156764 /nfs/dbraw/zinc/15/67/64/513156764.db2.gz LSRRHLNVAZCCCP-GOSISDBHSA-N 1 2 365.433 2.830 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCOCC1 ZINC000424563267 513183788 /nfs/dbraw/zinc/18/37/88/513183788.db2.gz KTEQCSJDPALAES-IBGZPJMESA-N 1 2 358.482 2.549 20 30 FFEDLO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428778673 513189508 /nfs/dbraw/zinc/18/95/08/513189508.db2.gz CSFJTMFEQVZJNU-HKUYNNGSSA-N 1 2 351.406 2.711 20 30 FFEDLO CCOC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428778673 513189512 /nfs/dbraw/zinc/18/95/12/513189512.db2.gz CSFJTMFEQVZJNU-HKUYNNGSSA-N 1 2 351.406 2.711 20 30 FFEDLO Cc1ccc(Br)cc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000450463959 513207522 /nfs/dbraw/zinc/20/75/22/513207522.db2.gz UNHHSWYSTWZEGQ-UHFFFAOYSA-N 1 2 366.303 2.805 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000450530444 513238258 /nfs/dbraw/zinc/23/82/58/513238258.db2.gz YUYKQJLHJWXSAL-ANRZDRKOSA-N 1 2 368.399 2.947 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000450530444 513238262 /nfs/dbraw/zinc/23/82/62/513238262.db2.gz YUYKQJLHJWXSAL-ANRZDRKOSA-N 1 2 368.399 2.947 20 30 FFEDLO N#Cc1c(F)cccc1C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000429069045 513271497 /nfs/dbraw/zinc/27/14/97/513271497.db2.gz OYHQLHZWQLALKE-UHFFFAOYSA-N 1 2 365.368 2.663 20 30 FFEDLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000429145606 513289276 /nfs/dbraw/zinc/28/92/76/513289276.db2.gz YTWVWIDWQVQXAB-CYBMUJFWSA-N 1 2 364.852 2.552 20 30 FFEDLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000429145606 513289282 /nfs/dbraw/zinc/28/92/82/513289282.db2.gz YTWVWIDWQVQXAB-CYBMUJFWSA-N 1 2 364.852 2.552 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000440627716 513366074 /nfs/dbraw/zinc/36/60/74/513366074.db2.gz QZAASDQCTYQLAS-HLAWJBBLSA-N 1 2 368.525 2.906 20 30 FFEDLO Cc1cc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)nn1-c1cccc(C#N)c1 ZINC000429512428 513396546 /nfs/dbraw/zinc/39/65/46/513396546.db2.gz BLGHYJGQGSPGPC-UHFFFAOYSA-N 1 2 374.448 2.857 20 30 FFEDLO C=CCOc1ccccc1CNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413150390 513484180 /nfs/dbraw/zinc/48/41/80/513484180.db2.gz WNMUJUBIOLNIJO-RDJZCZTQSA-N 1 2 354.454 2.861 20 30 FFEDLO C=CCOc1ccccc1CNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413150390 513484188 /nfs/dbraw/zinc/48/41/88/513484188.db2.gz WNMUJUBIOLNIJO-RDJZCZTQSA-N 1 2 354.454 2.861 20 30 FFEDLO C=CCCn1cc(C(=O)NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)nn1 ZINC000425322943 513511756 /nfs/dbraw/zinc/51/17/56/513511756.db2.gz OOUVJFPBWWGIGG-UHFFFAOYSA-N 1 2 350.426 2.548 20 30 FFEDLO Cc1cc(N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413268417 513558682 /nfs/dbraw/zinc/55/86/82/513558682.db2.gz MNCGKRJRGJGWIQ-LJQANCHMSA-N 1 2 374.441 2.675 20 30 FFEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000430251617 513599613 /nfs/dbraw/zinc/59/96/13/513599613.db2.gz DDVGYJIXIFGXER-HNNXBMFYSA-N 1 2 355.398 2.504 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)CNc1cccc(C#N)c1)c1ccccc1F ZINC000425951718 513804890 /nfs/dbraw/zinc/80/48/90/513804890.db2.gz DUFWFOVVEHVEHA-LJQANCHMSA-N 1 2 363.396 2.749 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000413813605 513829101 /nfs/dbraw/zinc/82/91/01/513829101.db2.gz DESCMPJWARYULN-NHCUHLMSSA-N 1 2 370.541 2.595 20 30 FFEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)CCO2 ZINC000451639501 513879763 /nfs/dbraw/zinc/87/97/63/513879763.db2.gz AADGPOPNSQEOCS-UHFFFAOYSA-N 1 2 357.454 2.574 20 30 FFEDLO COc1ccc2c(c1)C[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)CCO2 ZINC000451639501 513879765 /nfs/dbraw/zinc/87/97/65/513879765.db2.gz AADGPOPNSQEOCS-UHFFFAOYSA-N 1 2 357.454 2.574 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(O)(C(F)F)CC1 ZINC000426261054 513888137 /nfs/dbraw/zinc/88/81/37/513888137.db2.gz NTQUARSLRNESFI-ZDUSSCGKSA-N 1 2 369.387 2.553 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(F)cc1C(=O)c1ccccc1 ZINC000414126651 513981003 /nfs/dbraw/zinc/98/10/03/513981003.db2.gz OPMHLRMJDJQJDS-KRWDZBQOSA-N 1 2 356.397 2.642 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(F)cc1C(=O)c1ccccc1 ZINC000414126651 513981012 /nfs/dbraw/zinc/98/10/12/513981012.db2.gz OPMHLRMJDJQJDS-KRWDZBQOSA-N 1 2 356.397 2.642 20 30 FFEDLO Cc1nnc(SC[C@H](O)C[N@H+](C)CCC#N)n1[C@H]1CCC[C@H](C)C1 ZINC000414142717 513988012 /nfs/dbraw/zinc/98/80/12/513988012.db2.gz IKGRDJIDOGRGNE-CWRNSKLLSA-N 1 2 351.520 2.636 20 30 FFEDLO Cc1nnc(SC[C@H](O)C[N@@H+](C)CCC#N)n1[C@H]1CCC[C@H](C)C1 ZINC000414142717 513988017 /nfs/dbraw/zinc/98/80/17/513988017.db2.gz IKGRDJIDOGRGNE-CWRNSKLLSA-N 1 2 351.520 2.636 20 30 FFEDLO Cc1nnc(SC[C@H](O)C[N@H+](C)CCC#N)n1[C@H]1CCC[C@@H](C)C1 ZINC000414142724 513988034 /nfs/dbraw/zinc/98/80/34/513988034.db2.gz IKGRDJIDOGRGNE-VNQPRFMTSA-N 1 2 351.520 2.636 20 30 FFEDLO Cc1nnc(SC[C@H](O)C[N@@H+](C)CCC#N)n1[C@H]1CCC[C@@H](C)C1 ZINC000414142724 513988041 /nfs/dbraw/zinc/98/80/41/513988041.db2.gz IKGRDJIDOGRGNE-VNQPRFMTSA-N 1 2 351.520 2.636 20 30 FFEDLO C=CCn1c(SC[C@H](O)C[N@H+](C)CCC#N)nnc1-c1ccccc1C ZINC000414161724 513994665 /nfs/dbraw/zinc/99/46/65/513994665.db2.gz KPDVQVOKVNZQAG-MRXNPFEDSA-N 1 2 371.510 2.738 20 30 FFEDLO C=CCn1c(SC[C@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccccc1C ZINC000414161724 513994668 /nfs/dbraw/zinc/99/46/68/513994668.db2.gz KPDVQVOKVNZQAG-MRXNPFEDSA-N 1 2 371.510 2.738 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000437649943 514202279 /nfs/dbraw/zinc/20/22/79/514202279.db2.gz ZKOWNASUZMUYJD-HXUWFJFHSA-N 1 2 364.461 2.707 20 30 FFEDLO Cc1cc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)ncc1C#N ZINC000417252827 514261348 /nfs/dbraw/zinc/26/13/48/514261348.db2.gz KKQRYDTZFPTKQR-UHFFFAOYSA-N 1 2 361.405 2.811 20 30 FFEDLO C=CCNC(=O)C[NH+]1CCN(c2nc3cc(Cl)cc(Cl)c3o2)CC1 ZINC000433039828 514357341 /nfs/dbraw/zinc/35/73/41/514357341.db2.gz NVFKRJCSTGFNBX-UHFFFAOYSA-N 1 2 369.252 2.559 20 30 FFEDLO C[C@H]1C[C@@]1(C#N)C(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000449834331 514378965 /nfs/dbraw/zinc/37/89/65/514378965.db2.gz JWLLHEQJBCHILV-LIRRHRJNSA-N 1 2 371.872 2.572 20 30 FFEDLO C[C@H]1C[C@@]1(C#N)C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000449834331 514378976 /nfs/dbraw/zinc/37/89/76/514378976.db2.gz JWLLHEQJBCHILV-LIRRHRJNSA-N 1 2 371.872 2.572 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000433116614 514387652 /nfs/dbraw/zinc/38/76/52/514387652.db2.gz RXLYXJTUGJKSER-INIZCTEOSA-N 1 2 370.453 2.502 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@H+]2CCSC[C@@H]2CCO)c2ccccc21 ZINC000438651778 514420762 /nfs/dbraw/zinc/42/07/62/514420762.db2.gz NGYDMVUHIIOAOX-HNNXBMFYSA-N 1 2 357.479 2.537 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCSC[C@@H]2CCO)c2ccccc21 ZINC000438651778 514420768 /nfs/dbraw/zinc/42/07/68/514420768.db2.gz NGYDMVUHIIOAOX-HNNXBMFYSA-N 1 2 357.479 2.537 20 30 FFEDLO COCCCNC(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000438726502 514432549 /nfs/dbraw/zinc/43/25/49/514432549.db2.gz URQJQYFYNFRBJA-UHFFFAOYSA-N 1 2 369.440 2.852 20 30 FFEDLO COCCCNC(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000438726502 514432551 /nfs/dbraw/zinc/43/25/51/514432551.db2.gz URQJQYFYNFRBJA-UHFFFAOYSA-N 1 2 369.440 2.852 20 30 FFEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433291581 514447224 /nfs/dbraw/zinc/44/72/24/514447224.db2.gz WMKRESGIDGMEQL-OAHLLOKOSA-N 1 2 358.486 2.516 20 30 FFEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433291581 514447229 /nfs/dbraw/zinc/44/72/29/514447229.db2.gz WMKRESGIDGMEQL-OAHLLOKOSA-N 1 2 358.486 2.516 20 30 FFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000455484423 514549865 /nfs/dbraw/zinc/54/98/65/514549865.db2.gz ZQDMUPUWYRRQGF-AWEZNQCLSA-N 1 2 370.432 2.507 20 30 FFEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000461303032 514565628 /nfs/dbraw/zinc/56/56/28/514565628.db2.gz BWRPGOKRYUAKHG-UHFFFAOYSA-N 1 2 371.404 2.744 20 30 FFEDLO C=CC[C@@H](CC)NC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000466321068 514608929 /nfs/dbraw/zinc/60/89/29/514608929.db2.gz SERSNENQPNFYPY-QGZVFWFLSA-N 1 2 361.486 2.756 20 30 FFEDLO N#CCCCOc1cccnc1NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000466615678 514708381 /nfs/dbraw/zinc/70/83/81/514708381.db2.gz BCOSIHFKVVEUBD-INIZCTEOSA-N 1 2 367.409 2.844 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1F ZINC000489100340 514708558 /nfs/dbraw/zinc/70/85/58/514708558.db2.gz KJFCGWLXYGDZCC-UHFFFAOYSA-N 1 2 374.372 2.501 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471006508 514713119 /nfs/dbraw/zinc/71/31/19/514713119.db2.gz JUFONEIPXKOSOF-IBGZPJMESA-N 1 2 374.916 2.947 20 30 FFEDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(CC#N)cc2Cl)CCO1 ZINC000455740294 514713282 /nfs/dbraw/zinc/71/32/82/514713282.db2.gz YBOQTCDAEMUTOY-CQSZACIVSA-N 1 2 350.850 2.638 20 30 FFEDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(CC#N)cc2Cl)CCO1 ZINC000455740294 514713292 /nfs/dbraw/zinc/71/32/92/514713292.db2.gz YBOQTCDAEMUTOY-CQSZACIVSA-N 1 2 350.850 2.638 20 30 FFEDLO CC#CCNC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000497987022 514716770 /nfs/dbraw/zinc/71/67/70/514716770.db2.gz SLYQKWWODGVMRI-UHFFFAOYSA-N 1 2 354.281 2.886 20 30 FFEDLO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471017554 514719736 /nfs/dbraw/zinc/71/97/36/514719736.db2.gz FJDHMUJQKNAFLT-MPGHIAIKSA-N 1 2 362.905 2.825 20 30 FFEDLO C[C@@H](C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)c1cccc(C#N)c1 ZINC000461911353 514781776 /nfs/dbraw/zinc/78/17/76/514781776.db2.gz RCYNDSODSQHDDX-JKSUJKDBSA-N 1 2 364.449 2.598 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCCc2cccc(C#N)c2)CC1 ZINC000466824538 514792428 /nfs/dbraw/zinc/79/24/28/514792428.db2.gz VDHCCPFTIYLRGD-KRWDZBQOSA-N 1 2 363.465 2.584 20 30 FFEDLO N#Cc1cccc(NC(=O)C[NH+]2CCN(c3ccc4ccccc4n3)CC2)c1 ZINC000471202196 514793431 /nfs/dbraw/zinc/79/34/31/514793431.db2.gz KEHNWIISGIQWMR-UHFFFAOYSA-N 1 2 371.444 2.867 20 30 FFEDLO N#CC1(CS(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCCCC1 ZINC000475771636 514801143 /nfs/dbraw/zinc/80/11/43/514801143.db2.gz LXESHPCFZLMRFB-UHFFFAOYSA-N 1 2 358.467 2.766 20 30 FFEDLO N#CCc1cccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000455937322 514847905 /nfs/dbraw/zinc/84/79/05/514847905.db2.gz DCIGJJHLWOQKNQ-FQEVSTJZSA-N 1 2 364.449 2.775 20 30 FFEDLO N#CCc1cccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000455937322 514847917 /nfs/dbraw/zinc/84/79/17/514847917.db2.gz DCIGJJHLWOQKNQ-FQEVSTJZSA-N 1 2 364.449 2.775 20 30 FFEDLO Cc1cc(C#N)cc(NC(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c1 ZINC000456002607 514898239 /nfs/dbraw/zinc/89/82/39/514898239.db2.gz NHJJIQOXPVSSTL-HNNXBMFYSA-N 1 2 365.437 2.809 20 30 FFEDLO C=CCCCS(=O)(=O)N[C@@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000489689202 514940306 /nfs/dbraw/zinc/94/03/06/514940306.db2.gz SSKPUMSQRCSQRC-RBUKOAKNSA-N 1 2 366.527 2.552 20 30 FFEDLO C=CCCCS(=O)(=O)N[C@@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000489689202 514940316 /nfs/dbraw/zinc/94/03/16/514940316.db2.gz SSKPUMSQRCSQRC-RBUKOAKNSA-N 1 2 366.527 2.552 20 30 FFEDLO C=CCn1c(CCCC)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000508900315 514946445 /nfs/dbraw/zinc/94/64/45/514946445.db2.gz AAWFUSVMHBDFDB-UHFFFAOYSA-N 1 2 360.531 2.894 20 30 FFEDLO COc1cc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c([N+](=O)[O-])cc1F ZINC000467746753 515100840 /nfs/dbraw/zinc/10/08/40/515100840.db2.gz NNKWQSVNPOBASJ-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO CC[N@H+](CC(=O)NC[C@H]1CCCN(CC#N)C1)Cc1ccccc1Cl ZINC000498925816 515123602 /nfs/dbraw/zinc/12/36/02/515123602.db2.gz CTJAPZCOOPUNBK-MRXNPFEDSA-N 1 2 362.905 2.514 20 30 FFEDLO CC[N@@H+](CC(=O)NC[C@H]1CCCN(CC#N)C1)Cc1ccccc1Cl ZINC000498925816 515123612 /nfs/dbraw/zinc/12/36/12/515123612.db2.gz CTJAPZCOOPUNBK-MRXNPFEDSA-N 1 2 362.905 2.514 20 30 FFEDLO O=C(NCC#Cc1ccccc1)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000490224919 515145409 /nfs/dbraw/zinc/14/54/09/515145409.db2.gz SNNGZMIVPQBOEG-UHFFFAOYSA-N 1 2 371.396 2.980 20 30 FFEDLO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCc3c[nH+]c(C)cc3C)C2)n1 ZINC000456828356 515446579 /nfs/dbraw/zinc/44/65/79/515446579.db2.gz BPRGUYTYSZPEBC-GOSISDBHSA-N 1 2 363.465 2.806 20 30 FFEDLO N#Cc1csc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)n1 ZINC000492150741 515507590 /nfs/dbraw/zinc/50/75/90/515507590.db2.gz JYUDYJKQRSWQNO-GFCCVEGCSA-N 1 2 356.220 2.740 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)C1=O ZINC000499945125 515527228 /nfs/dbraw/zinc/52/72/28/515527228.db2.gz KPNWYSTYVXITIH-ZQIUZPCESA-N 1 2 363.889 2.624 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)C1=O ZINC000499945125 515527234 /nfs/dbraw/zinc/52/72/34/515527234.db2.gz KPNWYSTYVXITIH-ZQIUZPCESA-N 1 2 363.889 2.624 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc3ccccc3c2)C1=O ZINC000499950208 515530826 /nfs/dbraw/zinc/53/08/26/515530826.db2.gz FFVNSIFTMZKJKT-UZLBHIALSA-N 1 2 365.477 2.736 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc3ccccc3c2)C1=O ZINC000499950208 515530834 /nfs/dbraw/zinc/53/08/34/515530834.db2.gz FFVNSIFTMZKJKT-UZLBHIALSA-N 1 2 365.477 2.736 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)C1=O ZINC000499991045 515549884 /nfs/dbraw/zinc/54/98/84/515549884.db2.gz PYKHWSBHSZODQI-MRXNPFEDSA-N 1 2 352.356 2.655 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)C1=O ZINC000499991045 515549890 /nfs/dbraw/zinc/54/98/90/515549890.db2.gz PYKHWSBHSZODQI-MRXNPFEDSA-N 1 2 352.356 2.655 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccc(Br)s1 ZINC000468861907 515555090 /nfs/dbraw/zinc/55/50/90/515555090.db2.gz GJNSMZOFQNZZJX-SNVBAGLBSA-N 1 2 356.289 2.893 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000468861907 515555100 /nfs/dbraw/zinc/55/51/00/515555100.db2.gz GJNSMZOFQNZZJX-SNVBAGLBSA-N 1 2 356.289 2.893 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)C1=O ZINC000500022541 515561544 /nfs/dbraw/zinc/56/15/44/515561544.db2.gz BVZIMUAPDDGUJH-GJYPPUQNSA-N 1 2 357.498 2.533 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)C1=O ZINC000500022541 515561552 /nfs/dbraw/zinc/56/15/52/515561552.db2.gz BVZIMUAPDDGUJH-GJYPPUQNSA-N 1 2 357.498 2.533 20 30 FFEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000510574072 515592482 /nfs/dbraw/zinc/59/24/82/515592482.db2.gz XYIWUOWZFWIOMB-UHFFFAOYSA-N 1 2 361.511 2.606 20 30 FFEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000510574072 515592491 /nfs/dbraw/zinc/59/24/91/515592491.db2.gz XYIWUOWZFWIOMB-UHFFFAOYSA-N 1 2 361.511 2.606 20 30 FFEDLO C=CCOC[C@H]([NH2+][C@H](C)Cc1ccc(Br)cc1)C(=O)OC ZINC000482439037 515676343 /nfs/dbraw/zinc/67/63/43/515676343.db2.gz OAKSBTUUVCLZGB-DOMZBBRYSA-N 1 2 356.260 2.714 20 30 FFEDLO COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)c1 ZINC000510886521 515703045 /nfs/dbraw/zinc/70/30/45/515703045.db2.gz GQJWSLFDGAWALA-ZIAGYGMSSA-N 1 2 363.433 2.597 20 30 FFEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(-c3ccc(F)cc3C)o2)CC1 ZINC000506247822 515827900 /nfs/dbraw/zinc/82/79/00/515827900.db2.gz UBOYYJYEOORWAA-UHFFFAOYSA-N 1 2 371.456 2.814 20 30 FFEDLO C=CCc1cc(C[NH+]2CCN(Cc3cscn3)CC2)cc(OC)c1O ZINC000511539795 515938406 /nfs/dbraw/zinc/93/84/06/515938406.db2.gz XMTLTCDGBYBZFP-UHFFFAOYSA-N 1 2 359.495 2.904 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000501192106 516012793 /nfs/dbraw/zinc/01/27/93/516012793.db2.gz OEQHPXFHHSDNQK-SJORKVTESA-N 1 2 369.490 2.842 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000501192106 516012795 /nfs/dbraw/zinc/01/27/95/516012795.db2.gz OEQHPXFHHSDNQK-SJORKVTESA-N 1 2 369.490 2.842 20 30 FFEDLO N#Cc1ccc(NC(=O)NCCNc2cccc[nH+]2)cc1Br ZINC000487964475 516056327 /nfs/dbraw/zinc/05/63/27/516056327.db2.gz BRXCKXAUIQWZGZ-UHFFFAOYSA-N 1 2 360.215 2.949 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507202572 516124325 /nfs/dbraw/zinc/12/43/25/516124325.db2.gz GYZJHXDLHBVTSK-OAHLLOKOSA-N 1 2 352.413 2.847 20 30 FFEDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507215412 516127000 /nfs/dbraw/zinc/12/70/00/516127000.db2.gz XXYZUYLLUSLGDA-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)cc1 ZINC000507246167 516138535 /nfs/dbraw/zinc/13/85/35/516138535.db2.gz HHFJVPZXEYRHCP-IBGZPJMESA-N 1 2 371.525 2.770 20 30 FFEDLO C=CCOc1ccc(CN2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)cc1 ZINC000507246167 516138546 /nfs/dbraw/zinc/13/85/46/516138546.db2.gz HHFJVPZXEYRHCP-IBGZPJMESA-N 1 2 371.525 2.770 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)NCCC2CCCCC2)CC1 ZINC000507322061 516172942 /nfs/dbraw/zinc/17/29/42/516172942.db2.gz WATGANSETMLFOI-UHFFFAOYSA-N 1 2 354.498 2.767 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000488388837 516211376 /nfs/dbraw/zinc/21/13/76/516211376.db2.gz STZVMOVWIYESNP-GOSISDBHSA-N 1 2 350.422 2.936 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCc1ccccc1OC ZINC000512419728 516271448 /nfs/dbraw/zinc/27/14/48/516271448.db2.gz BRNHNGWRPREOLE-INIZCTEOSA-N 1 2 372.465 2.864 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCc1ccccc1OC ZINC000512419728 516271454 /nfs/dbraw/zinc/27/14/54/516271454.db2.gz BRNHNGWRPREOLE-INIZCTEOSA-N 1 2 372.465 2.864 20 30 FFEDLO C=CCN(CCc1ccco1)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000497641336 516328924 /nfs/dbraw/zinc/32/89/24/516328924.db2.gz DAWRDMCEMVBBAQ-UHFFFAOYSA-N 1 2 356.348 2.979 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c1 ZINC000512723582 516336922 /nfs/dbraw/zinc/33/69/22/516336922.db2.gz VIJZZTKDBSLMNF-LJQANCHMSA-N 1 2 352.413 2.550 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000528348425 516368605 /nfs/dbraw/zinc/36/86/05/516368605.db2.gz GYMGOQBERPXKBT-ICSRJNTNSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000528348425 516368617 /nfs/dbraw/zinc/36/86/17/516368617.db2.gz GYMGOQBERPXKBT-ICSRJNTNSA-N 1 2 356.397 2.511 20 30 FFEDLO Cc1cc(C(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)n1C ZINC000531255336 516377075 /nfs/dbraw/zinc/37/70/75/516377075.db2.gz BKYQHYMEKBIDIW-UHFFFAOYSA-N 1 2 350.466 2.514 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000528370471 516385059 /nfs/dbraw/zinc/38/50/59/516385059.db2.gz ZMYOAYFRAHRHSH-QUCCMNQESA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000528370471 516385063 /nfs/dbraw/zinc/38/50/63/516385063.db2.gz ZMYOAYFRAHRHSH-QUCCMNQESA-N 1 2 356.397 2.511 20 30 FFEDLO C[NH+](C)[C@H](CNC(=O)Cc1c(F)cccc1C#N)c1c(F)cccc1F ZINC000512939812 516419467 /nfs/dbraw/zinc/41/94/67/516419467.db2.gz IGLRUCINKZAEIN-QGZVFWFLSA-N 1 2 361.367 2.937 20 30 FFEDLO Cc1cccn2cc(CC(=O)N3CCC[C@]4(CCCCO4)[C@H]3C#N)[nH+]c12 ZINC000547744342 516535411 /nfs/dbraw/zinc/53/54/11/516535411.db2.gz MLFIEBSKDZSVMZ-YLJYHZDGSA-N 1 2 352.438 2.639 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1)OCC ZINC000535905469 516552289 /nfs/dbraw/zinc/55/22/89/516552289.db2.gz INXLMUMGZROSET-IBGZPJMESA-N 1 2 364.461 2.850 20 30 FFEDLO CC(C)CSCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000535957618 516570074 /nfs/dbraw/zinc/57/00/74/516570074.db2.gz ATNOUHBSGVDCLU-UHFFFAOYSA-N 1 2 360.527 2.775 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCCSCc1ccccc1C#N)C1CC1 ZINC000561422302 516572167 /nfs/dbraw/zinc/57/21/67/516572167.db2.gz VCBRSRDMAIBTBG-QGZVFWFLSA-N 1 2 369.494 2.975 20 30 FFEDLO COc1ccccc1O[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000513396641 516604138 /nfs/dbraw/zinc/60/41/38/516604138.db2.gz FLNSJOYMJYOXAN-FXAWDEMLSA-N 1 2 365.433 2.637 20 30 FFEDLO COc1ccccc1O[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000513396641 516604145 /nfs/dbraw/zinc/60/41/45/516604145.db2.gz FLNSJOYMJYOXAN-FXAWDEMLSA-N 1 2 365.433 2.637 20 30 FFEDLO Cc1nc(NCc2cccc(C(=O)N3CCc4ccc(C#N)cc43)c2)cc[nH+]1 ZINC000554883024 516678332 /nfs/dbraw/zinc/67/83/32/516678332.db2.gz HVSZQZYAEYXKQB-UHFFFAOYSA-N 1 2 369.428 2.894 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(Br)c1 ZINC000528785066 516695610 /nfs/dbraw/zinc/69/56/10/516695610.db2.gz RENNXSDBMQGTJN-LAPQFRIASA-N 1 2 353.285 2.806 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(Br)c1 ZINC000528785066 516695619 /nfs/dbraw/zinc/69/56/19/516695619.db2.gz RENNXSDBMQGTJN-LAPQFRIASA-N 1 2 353.285 2.806 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528788515 516701894 /nfs/dbraw/zinc/70/18/94/516701894.db2.gz QAHWRPUGWVLMCG-DXWFUSDOSA-N 1 2 365.886 2.524 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528788515 516701903 /nfs/dbraw/zinc/70/19/03/516701903.db2.gz QAHWRPUGWVLMCG-DXWFUSDOSA-N 1 2 365.886 2.524 20 30 FFEDLO COc1cc(C#N)ccc1OCC(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000540879682 516748500 /nfs/dbraw/zinc/74/85/00/516748500.db2.gz ZGCARLNJOVWCBV-UHFFFAOYSA-N 1 2 362.389 2.652 20 30 FFEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3cccc(C#N)c3C)CC2)no1 ZINC000513821530 516768875 /nfs/dbraw/zinc/76/88/75/516768875.db2.gz KJOZXGUNTVCSGG-KRWDZBQOSA-N 1 2 367.453 2.685 20 30 FFEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)c3cccc(C#N)c3C)CC2)no1 ZINC000513821530 516768882 /nfs/dbraw/zinc/76/88/82/516768882.db2.gz KJOZXGUNTVCSGG-KRWDZBQOSA-N 1 2 367.453 2.685 20 30 FFEDLO Cc1nc(NCc2cccc(C(=O)N(C)c3cccc(C#N)c3)c2)cc[nH+]1 ZINC000544508444 516788126 /nfs/dbraw/zinc/78/81/26/516788126.db2.gz JBJJSVRZNIIIDW-UHFFFAOYSA-N 1 2 357.417 2.967 20 30 FFEDLO N#Cc1ccc(NCC(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000513989125 516822565 /nfs/dbraw/zinc/82/25/65/516822565.db2.gz HPKWWIOVSAAMNU-GOSISDBHSA-N 1 2 354.841 2.797 20 30 FFEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000514008625 516832014 /nfs/dbraw/zinc/83/20/14/516832014.db2.gz NVJWZSALSMRHDA-BRWVUGGUSA-N 1 2 372.488 2.997 20 30 FFEDLO Cc1cc(C)c(C#N)c(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1 ZINC000514482723 516931723 /nfs/dbraw/zinc/93/17/23/516931723.db2.gz VPQTVJFLZHPIGG-UHFFFAOYSA-N 1 2 364.449 2.664 20 30 FFEDLO CCn1nccc1C[N@H+](CCO)Cc1ccc(C#N)cc1C(F)(F)F ZINC000562212152 516961438 /nfs/dbraw/zinc/96/14/38/516961438.db2.gz SIAKXOFPUGBTAA-UHFFFAOYSA-N 1 2 352.360 2.788 20 30 FFEDLO CCn1nccc1C[N@@H+](CCO)Cc1ccc(C#N)cc1C(F)(F)F ZINC000562212152 516961446 /nfs/dbraw/zinc/96/14/46/516961446.db2.gz SIAKXOFPUGBTAA-UHFFFAOYSA-N 1 2 352.360 2.788 20 30 FFEDLO CN1CC[NH+](Cc2cccc(NC(=O)c3ccc(F)c(C#N)c3)c2)CC1 ZINC000548413577 516967060 /nfs/dbraw/zinc/96/70/60/516967060.db2.gz FZOXMSYVCFWGNP-UHFFFAOYSA-N 1 2 352.413 2.697 20 30 FFEDLO N#Cc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc2ccccc12 ZINC000514690874 517007214 /nfs/dbraw/zinc/00/72/14/517007214.db2.gz VFYYDCLUZDYWJX-FQEVSTJZSA-N 1 2 372.428 2.946 20 30 FFEDLO N#Cc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc2ccccc12 ZINC000514690874 517007226 /nfs/dbraw/zinc/00/72/26/517007226.db2.gz VFYYDCLUZDYWJX-FQEVSTJZSA-N 1 2 372.428 2.946 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H](OCC(F)(F)F)C3)C2=O)cc1 ZINC000532588953 517048368 /nfs/dbraw/zinc/04/83/68/517048368.db2.gz VGUHFUILQNZOLV-CVEARBPZSA-N 1 2 367.371 2.707 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H](OCC(F)(F)F)C3)C2=O)cc1 ZINC000532588953 517048378 /nfs/dbraw/zinc/04/83/78/517048378.db2.gz VGUHFUILQNZOLV-CVEARBPZSA-N 1 2 367.371 2.707 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000562363723 517056844 /nfs/dbraw/zinc/05/68/44/517056844.db2.gz QROVEGHIOWQZSR-QGZVFWFLSA-N 1 2 374.448 2.827 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c1C#N ZINC000545226104 517116482 /nfs/dbraw/zinc/11/64/82/517116482.db2.gz WJJVQXWDTBHJSU-KRWDZBQOSA-N 1 2 370.371 2.870 20 30 FFEDLO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000552274499 517173737 /nfs/dbraw/zinc/17/37/37/517173737.db2.gz XMPMIULVPUSBBP-CYBMUJFWSA-N 1 2 360.401 2.834 20 30 FFEDLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000552274499 517173745 /nfs/dbraw/zinc/17/37/45/517173745.db2.gz XMPMIULVPUSBBP-CYBMUJFWSA-N 1 2 360.401 2.834 20 30 FFEDLO Cc1cc(C#N)cnc1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000555898062 517174728 /nfs/dbraw/zinc/17/47/28/517174728.db2.gz DRDBAYYKUYCNRO-OAHLLOKOSA-N 1 2 350.422 2.907 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000532970141 517228023 /nfs/dbraw/zinc/22/80/23/517228023.db2.gz WDEFDSOXFXVTRJ-DOMZBBRYSA-N 1 2 355.360 2.929 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000532970141 517228035 /nfs/dbraw/zinc/22/80/35/517228035.db2.gz WDEFDSOXFXVTRJ-DOMZBBRYSA-N 1 2 355.360 2.929 20 30 FFEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000552608234 517322032 /nfs/dbraw/zinc/32/20/32/517322032.db2.gz GGKMJAMFVLJPTE-UHFFFAOYSA-N 1 2 354.841 2.873 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc(Cl)cc4c3OCC4)CC2)c1C#N ZINC000526074147 517329700 /nfs/dbraw/zinc/32/97/00/517329700.db2.gz HIUNTTKSQNMZRD-UHFFFAOYSA-N 1 2 371.872 2.511 20 30 FFEDLO Cc1cc(N2CC[NH+](CC(=O)Nc3cccc(C)c3C)CC2)cc(C#N)n1 ZINC000552908259 517438770 /nfs/dbraw/zinc/43/87/70/517438770.db2.gz PKIKNMRVXKBANW-UHFFFAOYSA-N 1 2 363.465 2.639 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000533430912 517461588 /nfs/dbraw/zinc/46/15/88/517461588.db2.gz FZNHKHUPMZNUCO-MJGOQNOKSA-N 1 2 365.408 2.819 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000533430912 517461593 /nfs/dbraw/zinc/46/15/93/517461593.db2.gz FZNHKHUPMZNUCO-MJGOQNOKSA-N 1 2 365.408 2.819 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000533434864 517462367 /nfs/dbraw/zinc/46/23/67/517462367.db2.gz CWPJQUXJTXSEEA-MJGOQNOKSA-N 1 2 355.482 2.703 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000533434864 517462380 /nfs/dbraw/zinc/46/23/80/517462380.db2.gz CWPJQUXJTXSEEA-MJGOQNOKSA-N 1 2 355.482 2.703 20 30 FFEDLO N#CCCSc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000553009609 517476342 /nfs/dbraw/zinc/47/63/42/517476342.db2.gz REGJEUCYPURHBF-UHFFFAOYSA-N 1 2 350.407 2.920 20 30 FFEDLO Cc1sc(NC(=O)C[NH2+]C(C)(C)c2nnc3n2CCCC3)c(C#N)c1C ZINC000520729252 517491660 /nfs/dbraw/zinc/49/16/60/517491660.db2.gz NKJSSDHRDVABIX-UHFFFAOYSA-N 1 2 372.498 2.628 20 30 FFEDLO Cc1cc(C#N)cnc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000556695617 517577591 /nfs/dbraw/zinc/57/75/91/517577591.db2.gz IIKQMDRQUJRBLY-AEFFLSMTSA-N 1 2 356.376 2.715 20 30 FFEDLO Cc1cc(C#N)cnc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000556695617 517577597 /nfs/dbraw/zinc/57/75/97/517577597.db2.gz IIKQMDRQUJRBLY-AEFFLSMTSA-N 1 2 356.376 2.715 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ncc(C#N)cc3C)CC2)cc1 ZINC000549482687 517584300 /nfs/dbraw/zinc/58/43/00/517584300.db2.gz OGJHXXTYYUYOEM-UHFFFAOYSA-N 1 2 364.449 2.618 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527377744 517666934 /nfs/dbraw/zinc/66/69/34/517666934.db2.gz RQVIZLSUYQQSMQ-XHSDSOJGSA-N 1 2 361.486 2.524 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527377744 517666940 /nfs/dbraw/zinc/66/69/40/517666940.db2.gz RQVIZLSUYQQSMQ-XHSDSOJGSA-N 1 2 361.486 2.524 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527377743 517667313 /nfs/dbraw/zinc/66/73/13/517667313.db2.gz RQVIZLSUYQQSMQ-PMPSAXMXSA-N 1 2 361.486 2.524 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527377743 517667320 /nfs/dbraw/zinc/66/73/20/517667320.db2.gz RQVIZLSUYQQSMQ-PMPSAXMXSA-N 1 2 361.486 2.524 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000538663590 517708318 /nfs/dbraw/zinc/70/83/18/517708318.db2.gz AWCJVLWAPWJQTP-KRWDZBQOSA-N 1 2 372.517 2.794 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000538663590 517708326 /nfs/dbraw/zinc/70/83/26/517708326.db2.gz AWCJVLWAPWJQTP-KRWDZBQOSA-N 1 2 372.517 2.794 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(Cl)cc(Br)c1F ZINC000563220227 517747695 /nfs/dbraw/zinc/74/76/95/517747695.db2.gz IDFVXSQQWXQVSG-CYBMUJFWSA-N 1 2 362.630 2.815 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+](CC(=O)OC(C)(C)C)C1CCOCC1 ZINC000563218962 517748631 /nfs/dbraw/zinc/74/86/31/517748631.db2.gz YCGZUUAGTWGAKA-UHFFFAOYSA-N 1 2 360.454 2.890 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+](CC(=O)OC(C)(C)C)C1CCOCC1 ZINC000563218962 517748639 /nfs/dbraw/zinc/74/86/39/517748639.db2.gz YCGZUUAGTWGAKA-UHFFFAOYSA-N 1 2 360.454 2.890 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)N2CCC(CC#N)CC2)[NH+]2CCOCC2)c1 ZINC000542846548 517776925 /nfs/dbraw/zinc/77/69/25/517776925.db2.gz NUHSVUGUFMXXLU-FQEVSTJZSA-N 1 2 370.497 2.704 20 30 FFEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000546666292 517787227 /nfs/dbraw/zinc/78/72/27/517787227.db2.gz IBVHWJGAALLTRU-KRWDZBQOSA-N 1 2 359.470 2.640 20 30 FFEDLO C=CCCS(=O)(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542984310 517853615 /nfs/dbraw/zinc/85/36/15/517853615.db2.gz KYZRIXWYRWJCNF-GDBMZVCRSA-N 1 2 362.417 2.735 20 30 FFEDLO C=CCCS(=O)(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542984310 517853624 /nfs/dbraw/zinc/85/36/24/517853624.db2.gz KYZRIXWYRWJCNF-GDBMZVCRSA-N 1 2 362.417 2.735 20 30 FFEDLO CC[C@H](C)[N@H+](CC(=O)NCc1cccc(C#N)c1)CC(=O)OC(C)(C)C ZINC000534689263 518002225 /nfs/dbraw/zinc/00/22/25/518002225.db2.gz AAACNTLXMSJJNY-HNNXBMFYSA-N 1 2 359.470 2.617 20 30 FFEDLO CC[C@H](C)[N@@H+](CC(=O)NCc1cccc(C#N)c1)CC(=O)OC(C)(C)C ZINC000534689263 518002236 /nfs/dbraw/zinc/00/22/36/518002236.db2.gz AAACNTLXMSJJNY-HNNXBMFYSA-N 1 2 359.470 2.617 20 30 FFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000517142069 518039997 /nfs/dbraw/zinc/03/99/97/518039997.db2.gz HRLTXEYTYMXKRJ-ZDUSSCGKSA-N 1 2 357.907 2.820 20 30 FFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000517142069 518040007 /nfs/dbraw/zinc/04/00/07/518040007.db2.gz HRLTXEYTYMXKRJ-ZDUSSCGKSA-N 1 2 357.907 2.820 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(Br)cc(F)c2F)C1=O ZINC000563711813 518083834 /nfs/dbraw/zinc/08/38/34/518083834.db2.gz AJSROJJRXWVVRA-ZDUSSCGKSA-N 1 2 359.214 2.946 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Br)cc(F)c2F)C1=O ZINC000563711813 518083842 /nfs/dbraw/zinc/08/38/42/518083842.db2.gz AJSROJJRXWVVRA-ZDUSSCGKSA-N 1 2 359.214 2.946 20 30 FFEDLO C=CCOc1ccccc1C[N@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000539852336 518172148 /nfs/dbraw/zinc/17/21/48/518172148.db2.gz VOXUSRNAEXQSOP-UHFFFAOYSA-N 1 2 374.506 2.970 20 30 FFEDLO C=CCOc1ccccc1C[N@@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000539852336 518172150 /nfs/dbraw/zinc/17/21/50/518172150.db2.gz VOXUSRNAEXQSOP-UHFFFAOYSA-N 1 2 374.506 2.970 20 30 FFEDLO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000578511738 518245886 /nfs/dbraw/zinc/24/58/86/518245886.db2.gz CWPPJTGMIOGZLB-BLLLJJGKSA-N 1 2 357.376 2.724 20 30 FFEDLO COc1ccc2nc(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)[nH]c2n1 ZINC000572687639 518310687 /nfs/dbraw/zinc/31/06/87/518310687.db2.gz KHTOFAQLZHZSGC-UHFFFAOYSA-N 1 2 363.421 2.882 20 30 FFEDLO CCc1nc(NC(=O)C[N@H+](C)CCOCc2ccc(C#N)cc2)sc1C ZINC000564152653 518326692 /nfs/dbraw/zinc/32/66/92/518326692.db2.gz QCUNUFRJEZUCPQ-UHFFFAOYSA-N 1 2 372.494 2.973 20 30 FFEDLO CCc1nc(NC(=O)C[N@@H+](C)CCOCc2ccc(C#N)cc2)sc1C ZINC000564152653 518326696 /nfs/dbraw/zinc/32/66/96/518326696.db2.gz QCUNUFRJEZUCPQ-UHFFFAOYSA-N 1 2 372.494 2.973 20 30 FFEDLO C[C@H]1CN(c2ccc(CNc3cc(C#N)c4ccccc4n3)c[nH+]2)CCO1 ZINC000564242219 518365524 /nfs/dbraw/zinc/36/55/24/518365524.db2.gz DIGWFTFSGYXFOM-HNNXBMFYSA-N 1 2 359.433 2.761 20 30 FFEDLO Cn1cc[nH+]c1[C@H](CC(=O)NCc1cc(F)c(C#N)c(F)c1)C(F)(F)F ZINC000581676205 518403347 /nfs/dbraw/zinc/40/33/47/518403347.db2.gz PBVLQGCNUXGWQY-NSHDSACASA-N 1 2 372.297 2.922 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000578862100 518409294 /nfs/dbraw/zinc/40/92/94/518409294.db2.gz JQCDEVLIMYCMNS-XIRDDKMYSA-N 1 2 358.417 2.539 20 30 FFEDLO CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC1=O ZINC000579126525 518535276 /nfs/dbraw/zinc/53/52/76/518535276.db2.gz NCPNIFJCVGVELE-CKJXQJPGSA-N 1 2 370.497 2.513 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC000567506353 518561055 /nfs/dbraw/zinc/56/10/55/518561055.db2.gz MKFBKARIUZSVNM-FQEVSTJZSA-N 1 2 355.438 2.650 20 30 FFEDLO COc1ccc(OC)c(C[NH+]2CCN(c3cc(C#N)cc(C)n3)CC2)c1 ZINC000585702888 518567631 /nfs/dbraw/zinc/56/76/31/518567631.db2.gz VNLDQPZLFXUSTN-UHFFFAOYSA-N 1 2 352.438 2.601 20 30 FFEDLO Cc1nc(N2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)ccc1C#N ZINC000567559275 518584022 /nfs/dbraw/zinc/58/40/22/518584022.db2.gz WCDCVMBQJWDHFL-UHFFFAOYSA-N 1 2 360.421 2.634 20 30 FFEDLO N#Cc1ncc(C(F)(F)F)cc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000567567688 518588720 /nfs/dbraw/zinc/58/87/20/518588720.db2.gz WDYTWSRRYLHKIT-HNNXBMFYSA-N 1 2 372.416 2.592 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000582125137 518600586 /nfs/dbraw/zinc/60/05/86/518600586.db2.gz HWZADBVKBCYPPF-HNNXBMFYSA-N 1 2 351.410 2.740 20 30 FFEDLO Cc1ccc(CS(=O)(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000579275510 518602836 /nfs/dbraw/zinc/60/28/36/518602836.db2.gz BFDIRBACXWFJOW-UHFFFAOYSA-N 1 2 369.490 2.514 20 30 FFEDLO CC(C)[N@@H+]1CC[C@H](NCc2ncc(C#N)cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000579333976 518631997 /nfs/dbraw/zinc/63/19/97/518631997.db2.gz SZDIQOFZPHKMKK-HKUYNNGSSA-N 1 2 357.408 2.940 20 30 FFEDLO CC(C)[N@H+]1CC[C@H](NCc2ncc(C#N)cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000579333976 518632006 /nfs/dbraw/zinc/63/20/06/518632006.db2.gz SZDIQOFZPHKMKK-HKUYNNGSSA-N 1 2 357.408 2.940 20 30 FFEDLO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c2[nH+]ccn21 ZINC000570594582 518685039 /nfs/dbraw/zinc/68/50/39/518685039.db2.gz OSCFKZHDSJVXES-JOYOIKCWSA-N 1 2 370.356 2.758 20 30 FFEDLO C=CCn1c([C@H]2CCCS2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000573555789 518724284 /nfs/dbraw/zinc/72/42/84/518724284.db2.gz CZOBOOPNZUHUTN-OAHLLOKOSA-N 1 2 356.499 2.754 20 30 FFEDLO COc1ccc(C(=O)c2ccccc2)c(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000565076577 518775648 /nfs/dbraw/zinc/77/56/48/518775648.db2.gz ZYIFVWQOTGKXIO-KRWDZBQOSA-N 1 2 368.433 2.511 20 30 FFEDLO COc1ccc(C(=O)c2ccccc2)c(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000565076577 518775653 /nfs/dbraw/zinc/77/56/53/518775653.db2.gz ZYIFVWQOTGKXIO-KRWDZBQOSA-N 1 2 368.433 2.511 20 30 FFEDLO COc1cccc(OCC[NH+]2CCN(Cc3ccc(CC#N)cc3)CC2)c1 ZINC000579639661 518778460 /nfs/dbraw/zinc/77/84/60/518778460.db2.gz ACEGSCLDBNLZOK-UHFFFAOYSA-N 1 2 365.477 2.958 20 30 FFEDLO CCN1CCN(c2cc(C(F)(F)F)cnc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000579685630 518801746 /nfs/dbraw/zinc/80/17/46/518801746.db2.gz UFJMFFKBZHWWIU-AWEZNQCLSA-N 1 2 350.348 2.578 20 30 FFEDLO N#Cc1ccc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000576915063 518823946 /nfs/dbraw/zinc/82/39/46/518823946.db2.gz QOTRFPMSFGEPBO-IBGZPJMESA-N 1 2 352.394 2.952 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000582670021 518867488 /nfs/dbraw/zinc/86/74/88/518867488.db2.gz KQWBOKHOTNFXSS-MRXNPFEDSA-N 1 2 350.394 2.662 20 30 FFEDLO CCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1F ZINC000588956751 518879935 /nfs/dbraw/zinc/87/99/35/518879935.db2.gz QWIWWBDVGMACNQ-UHFFFAOYSA-N 1 2 361.442 2.778 20 30 FFEDLO CCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1F ZINC000588956751 518879940 /nfs/dbraw/zinc/87/99/40/518879940.db2.gz QWIWWBDVGMACNQ-UHFFFAOYSA-N 1 2 361.442 2.778 20 30 FFEDLO CCCc1c(NC(=O)C[NH+]2CC(C)(C)C2)cnn1-c1cccc(C#N)c1 ZINC000582733837 518896649 /nfs/dbraw/zinc/89/66/49/518896649.db2.gz CPEBIMWDQPYQHD-UHFFFAOYSA-N 1 2 351.454 2.977 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000577111734 518918900 /nfs/dbraw/zinc/91/89/00/518918900.db2.gz NDDYEXMOMFLVDU-QGTPRVQTSA-N 1 2 356.388 2.683 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000577111734 518918904 /nfs/dbraw/zinc/91/89/04/518918904.db2.gz NDDYEXMOMFLVDU-QGTPRVQTSA-N 1 2 356.388 2.683 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCc1ccccc1Br ZINC000577282906 519005153 /nfs/dbraw/zinc/00/51/53/519005153.db2.gz CGYNKLPCINJQHX-MRXNPFEDSA-N 1 2 352.276 2.732 20 30 FFEDLO N#Cc1cnc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c(Cl)c1 ZINC000577331280 519024892 /nfs/dbraw/zinc/02/48/92/519024892.db2.gz XMRPNXGVRHYVTC-UHFFFAOYSA-N 1 2 351.797 2.781 20 30 FFEDLO C=CCC1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)CCOCC1 ZINC000565593388 519034433 /nfs/dbraw/zinc/03/44/33/519034433.db2.gz FHFMMKUDBAFRLN-CALCHBBNSA-N 1 2 373.497 2.684 20 30 FFEDLO Cc1oncc1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1ccc([N+](=O)[O-])cc1C#N ZINC000577559928 519138520 /nfs/dbraw/zinc/13/85/20/519138520.db2.gz FKPWHZKBIGCCPY-HOCLYGCPSA-N 1 2 359.361 2.787 20 30 FFEDLO Cc1oncc1C[N@H+]1C[C@@H](F)C[C@H]1CNc1ccc([N+](=O)[O-])cc1C#N ZINC000577559928 519138524 /nfs/dbraw/zinc/13/85/24/519138524.db2.gz FKPWHZKBIGCCPY-HOCLYGCPSA-N 1 2 359.361 2.787 20 30 FFEDLO N#Cc1cnn2cc(C[NH+]3CCN(c4ccc(F)cc4Cl)CC3)cnc12 ZINC000571521908 519139033 /nfs/dbraw/zinc/13/90/33/519139033.db2.gz BHMKKRGEQFLJTP-UHFFFAOYSA-N 1 2 370.819 2.716 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000565804893 519139650 /nfs/dbraw/zinc/13/96/50/519139650.db2.gz BNMFAXYUOYWMIO-GOSISDBHSA-N 1 2 366.446 2.668 20 30 FFEDLO C[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C[C@H]1C(=O)OC(C)(C)C ZINC000583260316 519159725 /nfs/dbraw/zinc/15/97/25/519159725.db2.gz OLIWISADIMQPRJ-GXTWGEPZSA-N 1 2 363.483 2.858 20 30 FFEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C[C@H]1C(=O)OC(C)(C)C ZINC000583260316 519159729 /nfs/dbraw/zinc/15/97/29/519159729.db2.gz OLIWISADIMQPRJ-GXTWGEPZSA-N 1 2 363.483 2.858 20 30 FFEDLO CC[C@H]1Cc2ccccc2C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000574556015 519214256 /nfs/dbraw/zinc/21/42/56/519214256.db2.gz SDHQMDGKNISQPC-SFHVURJKSA-N 1 2 355.463 2.564 20 30 FFEDLO CC[C@H]1Cc2ccccc2C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000574556015 519214262 /nfs/dbraw/zinc/21/42/62/519214262.db2.gz SDHQMDGKNISQPC-SFHVURJKSA-N 1 2 355.463 2.564 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000577826106 519273950 /nfs/dbraw/zinc/27/39/50/519273950.db2.gz NUZDRCMWRNJSQQ-WOJBJXKFSA-N 1 2 355.482 2.895 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000577826106 519273952 /nfs/dbraw/zinc/27/39/52/519273952.db2.gz NUZDRCMWRNJSQQ-WOJBJXKFSA-N 1 2 355.482 2.895 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)c(C#N)c1C ZINC000580700870 519310352 /nfs/dbraw/zinc/31/03/52/519310352.db2.gz JAFZDGHCNCNQIE-HNNXBMFYSA-N 1 2 374.510 2.652 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](N3CCCC3=O)CC2)c(C#N)c1C ZINC000580700870 519310360 /nfs/dbraw/zinc/31/03/60/519310360.db2.gz JAFZDGHCNCNQIE-HNNXBMFYSA-N 1 2 374.510 2.652 20 30 FFEDLO CC(C)Oc1cc(Br)cc(NC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000574751358 519314059 /nfs/dbraw/zinc/31/40/59/519314059.db2.gz WUAWFVBEBLQKDI-HNNXBMFYSA-N 1 2 370.291 2.855 20 30 FFEDLO CC(C)Oc1cc(Br)cc(NC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000574751358 519314060 /nfs/dbraw/zinc/31/40/60/519314060.db2.gz WUAWFVBEBLQKDI-HNNXBMFYSA-N 1 2 370.291 2.855 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)nc1 ZINC000580722684 519323356 /nfs/dbraw/zinc/32/33/56/519323356.db2.gz XQIWDGNTKLNKRX-UHFFFAOYSA-N 1 2 368.388 2.536 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)nc1 ZINC000580722684 519323364 /nfs/dbraw/zinc/32/33/64/519323364.db2.gz XQIWDGNTKLNKRX-UHFFFAOYSA-N 1 2 368.388 2.536 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N(CCC#N)Cc1ccco1)C(F)(F)F ZINC000571893201 519333820 /nfs/dbraw/zinc/33/38/20/519333820.db2.gz OVNWKELIBLPBPN-CYBMUJFWSA-N 1 2 354.332 2.992 20 30 FFEDLO C=CCc1ccc(OCC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(OC)c1 ZINC000590733755 519338457 /nfs/dbraw/zinc/33/84/57/519338457.db2.gz VGTRUWQEPUAYHC-QGZVFWFLSA-N 1 2 355.438 2.863 20 30 FFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000577961944 519344449 /nfs/dbraw/zinc/34/44/49/519344449.db2.gz HGACIAPXLJPCHK-AWEZNQCLSA-N 1 2 365.437 2.810 20 30 FFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000577961944 519344455 /nfs/dbraw/zinc/34/44/55/519344455.db2.gz HGACIAPXLJPCHK-AWEZNQCLSA-N 1 2 365.437 2.810 20 30 FFEDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1cccc(F)c1 ZINC000569286924 519470256 /nfs/dbraw/zinc/47/02/56/519470256.db2.gz MYTLLLYZKMBJPS-UHFFFAOYSA-N 1 2 361.442 2.777 20 30 FFEDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1cccc(F)c1 ZINC000569286924 519470264 /nfs/dbraw/zinc/47/02/64/519470264.db2.gz MYTLLLYZKMBJPS-UHFFFAOYSA-N 1 2 361.442 2.777 20 30 FFEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1CCC1(C#N)CCCCC1 ZINC000591014291 519476709 /nfs/dbraw/zinc/47/67/09/519476709.db2.gz ZWMDIWUIPWMCBN-IBGZPJMESA-N 1 2 365.481 2.980 20 30 FFEDLO Cc1nc(N)c(CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)c[nH+]1 ZINC000583961859 519519084 /nfs/dbraw/zinc/51/90/84/519519084.db2.gz UJPZCYKQQNIVIV-UHFFFAOYSA-N 1 2 373.416 2.578 20 30 FFEDLO N#Cc1csc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1 ZINC000581103116 519522980 /nfs/dbraw/zinc/52/29/80/519522980.db2.gz MKLULXXQLWYOOC-NSHDSACASA-N 1 2 361.858 2.914 20 30 FFEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1 ZINC000581103116 519522983 /nfs/dbraw/zinc/52/29/83/519522983.db2.gz MKLULXXQLWYOOC-NSHDSACASA-N 1 2 361.858 2.914 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cn1c2ccccc2nc1-c1ccccc1 ZINC000583997505 519541100 /nfs/dbraw/zinc/54/11/00/519541100.db2.gz JXGOOZGFFVLPRZ-OAQYLSRUSA-N 1 2 361.449 2.663 20 30 FFEDLO C=CCC[C@H]1NC(=O)N([C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1=O ZINC000581241390 519594174 /nfs/dbraw/zinc/59/41/74/519594174.db2.gz QEUJHYFKHKTWFI-CXAGYDPISA-N 1 2 363.408 2.816 20 30 FFEDLO C=CCC[C@H]1NC(=O)N([C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1=O ZINC000581241390 519594180 /nfs/dbraw/zinc/59/41/80/519594180.db2.gz QEUJHYFKHKTWFI-CXAGYDPISA-N 1 2 363.408 2.816 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000602857660 519927985 /nfs/dbraw/zinc/92/79/85/519927985.db2.gz XHIQKWALMLNXHN-GOSISDBHSA-N 1 2 355.463 2.607 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000602857660 519927989 /nfs/dbraw/zinc/92/79/89/519927989.db2.gz XHIQKWALMLNXHN-GOSISDBHSA-N 1 2 355.463 2.607 20 30 FFEDLO C[C@H](NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000602857479 519929691 /nfs/dbraw/zinc/92/96/91/519929691.db2.gz RRGOUZHLNZZJGG-KSZLIROESA-N 1 2 368.525 2.661 20 30 FFEDLO C[C@H](NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000602857479 519929702 /nfs/dbraw/zinc/92/97/02/519929702.db2.gz RRGOUZHLNZZJGG-KSZLIROESA-N 1 2 368.525 2.661 20 30 FFEDLO Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1=O ZINC000602859131 519931783 /nfs/dbraw/zinc/93/17/83/519931783.db2.gz WNCUTILXFGWXQC-FCEWJHQRSA-N 1 2 358.461 2.548 20 30 FFEDLO Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1=O ZINC000602859131 519931792 /nfs/dbraw/zinc/93/17/92/519931792.db2.gz WNCUTILXFGWXQC-FCEWJHQRSA-N 1 2 358.461 2.548 20 30 FFEDLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602861849 519933297 /nfs/dbraw/zinc/93/32/97/519933297.db2.gz MDUOJMGIPKHYSE-ZIFCJYIRSA-N 1 2 372.513 2.571 20 30 FFEDLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602861849 519933302 /nfs/dbraw/zinc/93/33/02/519933302.db2.gz MDUOJMGIPKHYSE-ZIFCJYIRSA-N 1 2 372.513 2.571 20 30 FFEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602867398 519938415 /nfs/dbraw/zinc/93/84/15/519938415.db2.gz YGLKPJFOWRQNAT-MGPQQGTHSA-N 1 2 357.483 2.541 20 30 FFEDLO N#Cc1ccc(C2CC[NH+](CCS(=O)(=O)c3ccc(F)cc3)CC2)nc1 ZINC000602907113 519964954 /nfs/dbraw/zinc/96/49/54/519964954.db2.gz LJYSEOUZJBLZNN-UHFFFAOYSA-N 1 2 373.453 2.746 20 30 FFEDLO Cn1c(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)nc2ccccc2c1=O ZINC000602910455 519966851 /nfs/dbraw/zinc/96/68/51/519966851.db2.gz RQNRUYGUNFBGAF-UHFFFAOYSA-N 1 2 359.433 2.580 20 30 FFEDLO N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000594443134 519969659 /nfs/dbraw/zinc/96/96/59/519969659.db2.gz LXMIOZKSHKVLBT-CVEARBPZSA-N 1 2 352.442 2.546 20 30 FFEDLO CCOC(=O)[C@@H](Cc1cccc2ccccc21)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000602946260 519987079 /nfs/dbraw/zinc/98/70/79/519987079.db2.gz TVOBFDARDUTCGD-AZUAARDMSA-N 1 2 366.461 2.958 20 30 FFEDLO CCOC(=O)[C@H](Cc1cccc2ccccc21)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000602946261 519987100 /nfs/dbraw/zinc/98/71/00/519987100.db2.gz TVOBFDARDUTCGD-ICSRJNTNSA-N 1 2 366.461 2.958 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)[C@H]2CCC[C@H]2C#N)c(OC)c1 ZINC000602978481 520003021 /nfs/dbraw/zinc/00/30/21/520003021.db2.gz RBGDKEYTJDBTHB-SNRMKQJTSA-N 1 2 371.481 2.991 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c(OC)c1 ZINC000602978481 520003027 /nfs/dbraw/zinc/00/30/27/520003027.db2.gz RBGDKEYTJDBTHB-SNRMKQJTSA-N 1 2 371.481 2.991 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)[C@H]2CCC[C@@H]2C#N)cc1OC ZINC000602979449 520003576 /nfs/dbraw/zinc/00/35/76/520003576.db2.gz DMYBOIQLAWCXGL-SQNIBIBYSA-N 1 2 371.481 2.991 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc1OC ZINC000602979449 520003586 /nfs/dbraw/zinc/00/35/86/520003586.db2.gz DMYBOIQLAWCXGL-SQNIBIBYSA-N 1 2 371.481 2.991 20 30 FFEDLO C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)[C@H]1CCC[C@H]1C#N ZINC000602978762 520003601 /nfs/dbraw/zinc/00/36/01/520003601.db2.gz WDDSEZRFVMCNED-FZMZJTMJSA-N 1 2 361.243 2.581 20 30 FFEDLO C[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)[C@H]1CCC[C@H]1C#N ZINC000602978762 520003606 /nfs/dbraw/zinc/00/36/06/520003606.db2.gz WDDSEZRFVMCNED-FZMZJTMJSA-N 1 2 361.243 2.581 20 30 FFEDLO C[N@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)[C@H]1CCC[C@H]1C#N ZINC000602980502 520004429 /nfs/dbraw/zinc/00/44/29/520004429.db2.gz QSUTUKBMQOUYME-ICSRJNTNSA-N 1 2 355.482 2.818 20 30 FFEDLO C[N@@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)[C@H]1CCC[C@H]1C#N ZINC000602980502 520004438 /nfs/dbraw/zinc/00/44/38/520004438.db2.gz QSUTUKBMQOUYME-ICSRJNTNSA-N 1 2 355.482 2.818 20 30 FFEDLO CCOc1cc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)nc2nc(C(F)(F)F)nn21 ZINC000602980892 520005160 /nfs/dbraw/zinc/00/51/60/520005160.db2.gz XATDRPLHRGYUCJ-CMPLNLGQSA-N 1 2 368.363 2.666 20 30 FFEDLO CCOc1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)nc2nc(C(F)(F)F)nn21 ZINC000602980892 520005164 /nfs/dbraw/zinc/00/51/64/520005164.db2.gz XATDRPLHRGYUCJ-CMPLNLGQSA-N 1 2 368.363 2.666 20 30 FFEDLO C[C@H]1CN(C(=O)c2ccccc2Oc2cc[nH+]cc2)C[C@H](C)N1CC#N ZINC000603092901 520073785 /nfs/dbraw/zinc/07/37/85/520073785.db2.gz RMTFGLQCUMMIOS-HOTGVXAUSA-N 1 2 350.422 2.932 20 30 FFEDLO Cc1ccccc1CC1C[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000612678057 520085901 /nfs/dbraw/zinc/08/59/01/520085901.db2.gz VXCUWVXRLQBHBD-UHFFFAOYSA-N 1 2 354.475 2.815 20 30 FFEDLO N#Cc1cccc(CC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c1 ZINC000597639483 520150417 /nfs/dbraw/zinc/15/04/17/520150417.db2.gz AFSCCWGXKUNIEB-UHFFFAOYSA-N 1 2 354.479 2.722 20 30 FFEDLO Cc1[nH+]c2cc(NC(=O)CC3(C#N)CCOCC3)ccc2n1[C@@H](C)CO ZINC000597732128 520204230 /nfs/dbraw/zinc/20/42/30/520204230.db2.gz ISLHLVOBYGHUOF-ZDUSSCGKSA-N 1 2 356.426 2.547 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000592149469 520226268 /nfs/dbraw/zinc/22/62/68/520226268.db2.gz PNQNSXWJLJDWIP-HXUWFJFHSA-N 1 2 351.406 2.768 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000592149469 520226276 /nfs/dbraw/zinc/22/62/76/520226276.db2.gz PNQNSXWJLJDWIP-HXUWFJFHSA-N 1 2 351.406 2.768 20 30 FFEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Nc2cccc(C#N)n2)CC1 ZINC000592272404 520306466 /nfs/dbraw/zinc/30/64/66/520306466.db2.gz BEEUSAWKBBKAQQ-UHFFFAOYSA-N 1 2 365.437 2.620 20 30 FFEDLO Cc1ccc([C@H](C)NC(=O)C[NH+]2CCN([C@H](C#N)C(C)C)CC2)cc1C ZINC000609484731 520328348 /nfs/dbraw/zinc/32/83/48/520328348.db2.gz JFYPSOYPPDVTAR-AZUAARDMSA-N 1 2 356.514 2.646 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)(C)C)CC1 ZINC000609486184 520329570 /nfs/dbraw/zinc/32/95/70/520329570.db2.gz FKIVPOUKCKLVOF-FQEVSTJZSA-N 1 2 370.541 2.979 20 30 FFEDLO N#CCN1CCC(NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000609565001 520359259 /nfs/dbraw/zinc/35/92/59/520359259.db2.gz MFESUZFNFWUJDS-UHFFFAOYSA-N 1 2 351.410 2.983 20 30 FFEDLO C[C@@H]1CCC[C@@H](OCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000609576739 520363344 /nfs/dbraw/zinc/36/33/44/520363344.db2.gz KLAAJLXOTZMLFV-YLJYHZDGSA-N 1 2 355.482 2.798 20 30 FFEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cn(CCCC#N)c3ccccc23)[C@@H](C)CO1 ZINC000598000718 520370330 /nfs/dbraw/zinc/37/03/30/520370330.db2.gz ZHZKECBSSCVSMV-DLBZAZTESA-N 1 2 368.481 2.784 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cn(CCCC#N)c3ccccc23)[C@@H](C)CO1 ZINC000598000718 520370335 /nfs/dbraw/zinc/37/03/35/520370335.db2.gz ZHZKECBSSCVSMV-DLBZAZTESA-N 1 2 368.481 2.784 20 30 FFEDLO CCOc1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)cc(Br)c1OC ZINC000592524429 520439370 /nfs/dbraw/zinc/43/93/70/520439370.db2.gz XNDUWKPNKAYTGL-MRXNPFEDSA-N 1 2 369.259 2.707 20 30 FFEDLO CCOc1cc(C[N@H+]2CC[C@](O)(CC#N)C2)cc(Br)c1OC ZINC000592524429 520439376 /nfs/dbraw/zinc/43/93/76/520439376.db2.gz XNDUWKPNKAYTGL-MRXNPFEDSA-N 1 2 369.259 2.707 20 30 FFEDLO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1nnc2n1CCCCC2 ZINC000595432234 520466301 /nfs/dbraw/zinc/46/63/01/520466301.db2.gz RNGKOYYUOGYCPW-MRXNPFEDSA-N 1 2 366.469 2.602 20 30 FFEDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000609895190 520473580 /nfs/dbraw/zinc/47/35/80/520473580.db2.gz RZYFIBDARMCJRM-MRXNPFEDSA-N 1 2 357.435 2.794 20 30 FFEDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000609895190 520473585 /nfs/dbraw/zinc/47/35/85/520473585.db2.gz RZYFIBDARMCJRM-MRXNPFEDSA-N 1 2 357.435 2.794 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)c(C(F)(F)F)c1 ZINC000595464053 520486682 /nfs/dbraw/zinc/48/66/82/520486682.db2.gz FNNXLIRHLBASJN-UHFFFAOYSA-N 1 2 351.332 2.780 20 30 FFEDLO COC(=O)C1([N@H+](C2CC2)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC1 ZINC000595542013 520539073 /nfs/dbraw/zinc/53/90/73/520539073.db2.gz LGROKFHLVBSCKF-GOSISDBHSA-N 1 2 367.449 2.614 20 30 FFEDLO COC(=O)C1([N@@H+](C2CC2)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC1 ZINC000595542013 520539079 /nfs/dbraw/zinc/53/90/79/520539079.db2.gz LGROKFHLVBSCKF-GOSISDBHSA-N 1 2 367.449 2.614 20 30 FFEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000604547884 520596421 /nfs/dbraw/zinc/59/64/21/520596421.db2.gz DLVQLAXTWKPDDV-UHFFFAOYSA-N 1 2 363.461 2.762 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000595624848 520603963 /nfs/dbraw/zinc/60/39/63/520603963.db2.gz JYVVVTYHVPWNPX-OLZOCXBDSA-N 1 2 371.315 2.640 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000595624848 520603970 /nfs/dbraw/zinc/60/39/70/520603970.db2.gz JYVVVTYHVPWNPX-OLZOCXBDSA-N 1 2 371.315 2.640 20 30 FFEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000595626454 520604093 /nfs/dbraw/zinc/60/40/93/520604093.db2.gz PUVHWDSJMVIJIA-GJZGRUSLSA-N 1 2 374.428 2.895 20 30 FFEDLO CC(C)(C#N)c1ccccc1C[N@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000595626454 520604101 /nfs/dbraw/zinc/60/41/01/520604101.db2.gz PUVHWDSJMVIJIA-GJZGRUSLSA-N 1 2 374.428 2.895 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632201 520609356 /nfs/dbraw/zinc/60/93/56/520609356.db2.gz BIUVFMVONCOCAR-XHSDSOJGSA-N 1 2 360.527 2.635 20 30 FFEDLO C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595634083 520610994 /nfs/dbraw/zinc/61/09/94/520610994.db2.gz WWDNYTCPPDFIBF-OAHLLOKOSA-N 1 2 360.527 2.921 20 30 FFEDLO Cc1[nH+]c2cc(NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)ccc2n1C ZINC000610310647 520631023 /nfs/dbraw/zinc/63/10/23/520631023.db2.gz TUXCMUKXKVUWAA-UHFFFAOYSA-N 1 2 371.404 2.774 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCC3)OC[C@H]2C)cc1 ZINC000595674904 520638468 /nfs/dbraw/zinc/63/84/68/520638468.db2.gz MFSKXLNHYNSGBD-QGZVFWFLSA-N 1 2 371.481 2.975 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC3(CCC3)OC[C@H]2C)cc1 ZINC000595674904 520638474 /nfs/dbraw/zinc/63/84/74/520638474.db2.gz MFSKXLNHYNSGBD-QGZVFWFLSA-N 1 2 371.481 2.975 20 30 FFEDLO CC[C@@H](COCC1CC1)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000595705979 520662922 /nfs/dbraw/zinc/66/29/22/520662922.db2.gz ZGINSQLHPGWUOS-FQEVSTJZSA-N 1 2 370.497 2.591 20 30 FFEDLO CCc1nocc1C[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595734921 520682399 /nfs/dbraw/zinc/68/23/99/520682399.db2.gz RRWMYQXOCPPVCO-UHFFFAOYSA-N 1 2 362.437 2.821 20 30 FFEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)[C@@H]2CCCC[C@@H]12 ZINC000595741252 520690532 /nfs/dbraw/zinc/69/05/32/520690532.db2.gz YFTVVYUFIPNSRK-ZMSDIMECSA-N 1 2 373.453 2.760 20 30 FFEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)[C@@H]2CCCC[C@@H]12 ZINC000595741252 520690539 /nfs/dbraw/zinc/69/05/39/520690539.db2.gz YFTVVYUFIPNSRK-ZMSDIMECSA-N 1 2 373.453 2.760 20 30 FFEDLO N#Cc1c(NCc2cc[nH+]c(N3CCSCC3)c2)nc2ccccn21 ZINC000601240694 520703828 /nfs/dbraw/zinc/70/38/28/520703828.db2.gz NOZDFRZDQOXMGK-UHFFFAOYSA-N 1 2 350.451 2.766 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000610485097 520710367 /nfs/dbraw/zinc/71/03/67/520710367.db2.gz SNUULLMFJWAAGM-FQEVSTJZSA-N 1 2 370.474 2.796 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000610485097 520710373 /nfs/dbraw/zinc/71/03/73/520710373.db2.gz SNUULLMFJWAAGM-FQEVSTJZSA-N 1 2 370.474 2.796 20 30 FFEDLO C[C@@]1(C#N)CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000595844796 520761174 /nfs/dbraw/zinc/76/11/74/520761174.db2.gz VTNYZWSHEBMKFN-ZFWWWQNUSA-N 1 2 357.223 2.563 20 30 FFEDLO C[C@@]1(C#N)CC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000595844796 520761186 /nfs/dbraw/zinc/76/11/86/520761186.db2.gz VTNYZWSHEBMKFN-ZFWWWQNUSA-N 1 2 357.223 2.563 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000610944873 520913245 /nfs/dbraw/zinc/91/32/45/520913245.db2.gz GDJVXUNVLKPDBI-UONOGXRCSA-N 1 2 369.494 2.969 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000610944873 520913249 /nfs/dbraw/zinc/91/32/49/520913249.db2.gz GDJVXUNVLKPDBI-UONOGXRCSA-N 1 2 369.494 2.969 20 30 FFEDLO N#C[C@H](CCc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601728914 520922553 /nfs/dbraw/zinc/92/25/53/520922553.db2.gz LZDJBBBLFXHKIM-FQEVSTJZSA-N 1 2 363.461 2.809 20 30 FFEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000610967853 520923334 /nfs/dbraw/zinc/92/33/34/520923334.db2.gz SAHQIWGOQRGHIX-UHFFFAOYSA-N 1 2 363.421 2.626 20 30 FFEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3n[nH]c(C4CC4)c3C#N)c2C1 ZINC000601736396 520925542 /nfs/dbraw/zinc/92/55/42/520925542.db2.gz JJJWHXWBOKJQDD-UHFFFAOYSA-N 1 2 372.432 2.947 20 30 FFEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3n[nH]c(C4CC4)c3C#N)c2C1 ZINC000601736396 520925547 /nfs/dbraw/zinc/92/55/47/520925547.db2.gz JJJWHXWBOKJQDD-UHFFFAOYSA-N 1 2 372.432 2.947 20 30 FFEDLO CCC1([NH+]2CCCC2)CCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)CC1 ZINC000601743969 520930604 /nfs/dbraw/zinc/93/06/04/520930604.db2.gz GNUKYONOYJJWIX-UHFFFAOYSA-N 1 2 374.510 2.861 20 30 FFEDLO CCC1CCC([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)(C(=O)OC)CC1 ZINC000610989225 520933841 /nfs/dbraw/zinc/93/38/41/520933841.db2.gz JIRDYOZYJROYSS-NCYVPVAZSA-N 1 2 374.481 2.594 20 30 FFEDLO C[C@H](Nc1nc(C#N)c(Cl)s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000596140100 520934782 /nfs/dbraw/zinc/93/47/82/520934782.db2.gz BNBNZEHWBDOERV-SWLSCSKDSA-N 1 2 362.886 2.791 20 30 FFEDLO C[C@H](Nc1nc(C#N)c(Cl)s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000596140100 520934785 /nfs/dbraw/zinc/93/47/85/520934785.db2.gz BNBNZEHWBDOERV-SWLSCSKDSA-N 1 2 362.886 2.791 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cccc4cnccc43)CC2)cc1 ZINC000598977496 520955151 /nfs/dbraw/zinc/95/51/51/520955151.db2.gz KWSVQGPKGCRGQZ-UHFFFAOYSA-N 1 2 370.456 2.993 20 30 FFEDLO Cc1ccc([C@H](CNC(=O)N2CCC[C@H](CC#N)C2)[NH+]2CCOCC2)cc1 ZINC000596179638 520955970 /nfs/dbraw/zinc/95/59/70/520955970.db2.gz QCTQNSVOZIIMNN-QUCCMNQESA-N 1 2 370.497 2.704 20 30 FFEDLO C=CCC1(NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)CCOCC1 ZINC000618249520 520963307 /nfs/dbraw/zinc/96/33/07/520963307.db2.gz XIJZJTFOYPLAHV-UHFFFAOYSA-N 1 2 366.465 2.674 20 30 FFEDLO Cc1nsc(N2CCN(c3[nH+]ccc4c(N)cccc43)CC2)c1C#N ZINC000596238921 520987688 /nfs/dbraw/zinc/98/76/88/520987688.db2.gz RVOLFSZCLSWBKH-UHFFFAOYSA-N 1 2 350.451 2.780 20 30 FFEDLO CC(C)(C)n1ncc2c1nc(N[C@@H]1CCCc3cc(C#N)ccc31)[nH+]c2N ZINC000596276621 521004800 /nfs/dbraw/zinc/00/48/00/521004800.db2.gz GDWHJETXUWUQED-MRXNPFEDSA-N 1 2 361.453 2.947 20 30 FFEDLO CCC[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OCC ZINC000599128824 521044787 /nfs/dbraw/zinc/04/47/87/521044787.db2.gz LBNLZUYJJZESEG-IBGZPJMESA-N 1 2 358.486 2.591 20 30 FFEDLO N#CC1(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CC2(CC2)C1 ZINC000601967318 521047139 /nfs/dbraw/zinc/04/71/39/521047139.db2.gz GVNBRTDLRLMAEG-UHFFFAOYSA-N 1 2 350.422 2.904 20 30 FFEDLO CC(C)(C#N)c1ccc(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000593526378 521051006 /nfs/dbraw/zinc/05/10/06/521051006.db2.gz FYGHODLTDDRSIE-UHFFFAOYSA-N 1 2 368.462 2.656 20 30 FFEDLO Cc1cn2ccc(C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)cc2[nH+]1 ZINC000602043185 521096869 /nfs/dbraw/zinc/09/68/69/521096869.db2.gz RRVDMXCBTADSNZ-IBGZPJMESA-N 1 2 359.433 2.665 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000599230559 521098368 /nfs/dbraw/zinc/09/83/68/521098368.db2.gz QOXGNVITERZNJR-WOJBJXKFSA-N 1 2 355.482 2.645 20 30 FFEDLO CCOC(=O)c1cnc(N2CC[NH+](Cc3ccc(C)c(C#N)c3)CC2)s1 ZINC000599302157 521137582 /nfs/dbraw/zinc/13/75/82/521137582.db2.gz GURMIUXCAAUQRN-UHFFFAOYSA-N 1 2 370.478 2.822 20 30 FFEDLO CSc1ccc(CN(C)C(=O)C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)cc1 ZINC000611432071 521152367 /nfs/dbraw/zinc/15/23/67/521152367.db2.gz NTPRMVODOMGAGC-IBGZPJMESA-N 1 2 374.554 2.533 20 30 FFEDLO N#Cc1ccccc1NC1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000602187666 521198957 /nfs/dbraw/zinc/19/89/57/521198957.db2.gz TVKXATGFIVDMKN-UHFFFAOYSA-N 1 2 359.433 2.852 20 30 FFEDLO C[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccn1 ZINC000596662257 521199803 /nfs/dbraw/zinc/19/98/03/521199803.db2.gz IAJFZRLPMFKYGO-QGZVFWFLSA-N 1 2 363.465 2.584 20 30 FFEDLO CC(C)CN(C(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CC1 ZINC000611551653 521214860 /nfs/dbraw/zinc/21/48/60/521214860.db2.gz SBLYFBUIPOESHH-FQEVSTJZSA-N 1 2 372.488 2.655 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611578085 521232708 /nfs/dbraw/zinc/23/27/08/521232708.db2.gz MWUBLTDDPMYOFZ-GFCCVEGCSA-N 1 2 355.410 2.944 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611578085 521232717 /nfs/dbraw/zinc/23/27/17/521232717.db2.gz MWUBLTDDPMYOFZ-GFCCVEGCSA-N 1 2 355.410 2.944 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)c(C#N)c1C ZINC000593997478 521339037 /nfs/dbraw/zinc/33/90/37/521339037.db2.gz KBDZZJYVUCJFSI-CXAGYDPISA-N 1 2 369.469 2.954 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)c(C#N)c1C ZINC000593997478 521339045 /nfs/dbraw/zinc/33/90/45/521339045.db2.gz KBDZZJYVUCJFSI-CXAGYDPISA-N 1 2 369.469 2.954 20 30 FFEDLO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)c1C ZINC000599678403 521393206 /nfs/dbraw/zinc/39/32/06/521393206.db2.gz VADPYPBUTGHMJB-UHFFFAOYSA-N 1 2 365.433 2.725 20 30 FFEDLO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)c1C ZINC000599678403 521393213 /nfs/dbraw/zinc/39/32/13/521393213.db2.gz VADPYPBUTGHMJB-UHFFFAOYSA-N 1 2 365.433 2.725 20 30 FFEDLO COC(=O)c1cccc(NC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599677184 521393306 /nfs/dbraw/zinc/39/33/06/521393306.db2.gz HZQWYBGMZVIERH-UHFFFAOYSA-N 1 2 363.417 2.536 20 30 FFEDLO COC(=O)c1cccc(NC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599677184 521393312 /nfs/dbraw/zinc/39/33/12/521393312.db2.gz HZQWYBGMZVIERH-UHFFFAOYSA-N 1 2 363.417 2.536 20 30 FFEDLO COC(=O)C1C[C@@H](C)[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000599688654 521403467 /nfs/dbraw/zinc/40/34/67/521403467.db2.gz LELZTQAJETXXGC-VXGBXAGGSA-N 1 2 363.845 2.812 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(Cl)cc2c1OCC2 ZINC000611961285 521409976 /nfs/dbraw/zinc/40/99/76/521409976.db2.gz HECJMUHHVFWIJJ-CYBMUJFWSA-N 1 2 369.856 2.647 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(Cl)cc2c1OCC2 ZINC000611961285 521409982 /nfs/dbraw/zinc/40/99/82/521409982.db2.gz HECJMUHHVFWIJJ-CYBMUJFWSA-N 1 2 369.856 2.647 20 30 FFEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@](F)(C#N)C3)n2)C1 ZINC000615522007 521428817 /nfs/dbraw/zinc/42/88/17/521428817.db2.gz PQNLOUHZYMTYII-LRDDRELGSA-N 1 2 351.451 2.844 20 30 FFEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@](F)(C#N)C3)n2)C1 ZINC000615522007 521428826 /nfs/dbraw/zinc/42/88/26/521428826.db2.gz PQNLOUHZYMTYII-LRDDRELGSA-N 1 2 351.451 2.844 20 30 FFEDLO C[C@@]1(C#N)CCCN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000612135570 521500328 /nfs/dbraw/zinc/50/03/28/521500328.db2.gz YPMUZRZTZAWGHY-FQEVSTJZSA-N 1 2 351.454 2.961 20 30 FFEDLO C[C@@]1(C#N)CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000612161712 521513430 /nfs/dbraw/zinc/51/34/30/521513430.db2.gz HYMSRJXBPQGPPQ-HOCLYGCPSA-N 1 2 353.260 2.814 20 30 FFEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000612161712 521513436 /nfs/dbraw/zinc/51/34/36/521513436.db2.gz HYMSRJXBPQGPPQ-HOCLYGCPSA-N 1 2 353.260 2.814 20 30 FFEDLO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612165787 521515309 /nfs/dbraw/zinc/51/53/09/521515309.db2.gz OAKDHFSXZPTRCH-HXUWFJFHSA-N 1 2 359.470 2.678 20 30 FFEDLO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612165787 521515317 /nfs/dbraw/zinc/51/53/17/521515317.db2.gz OAKDHFSXZPTRCH-HXUWFJFHSA-N 1 2 359.470 2.678 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1OC ZINC000612166928 521516942 /nfs/dbraw/zinc/51/69/42/521516942.db2.gz YMAMVGFTABSHDK-UWJYYQICSA-N 1 2 371.481 2.993 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@@](C)(C#N)C2)cc1OC ZINC000612166928 521516946 /nfs/dbraw/zinc/51/69/46/521516946.db2.gz YMAMVGFTABSHDK-UWJYYQICSA-N 1 2 371.481 2.993 20 30 FFEDLO N#CCC1C[NH+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000597202890 521571516 /nfs/dbraw/zinc/57/15/16/521571516.db2.gz DRYSIXWXBFDWMM-UHFFFAOYSA-N 1 2 350.260 2.631 20 30 FFEDLO C=C[C@H]([NH2+]CC1(c2cccc(Br)c2)CCOCC1)C(=O)OC ZINC000619701147 521831573 /nfs/dbraw/zinc/83/15/73/521831573.db2.gz YXGQYJAWUCTXJT-HNNXBMFYSA-N 1 2 368.271 2.815 20 30 FFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000619719629 521836959 /nfs/dbraw/zinc/83/69/59/521836959.db2.gz PWXKVYCOVOWZCZ-IBGZPJMESA-N 1 2 356.466 2.617 20 30 FFEDLO C=CCc1cc(CNC(=O)[C@H]2CCn3cc(C)[nH+]c3C2)cc(OC)c1OC ZINC000624932977 523035901 /nfs/dbraw/zinc/03/59/01/523035901.db2.gz MYFQDWKHGKNVKG-KRWDZBQOSA-N 1 2 369.465 2.816 20 30 FFEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)C3(C#N)CCCCC3)CC2)no1 ZINC000328634020 526844152 /nfs/dbraw/zinc/84/41/52/526844152.db2.gz MJJKDAQYTFRCMG-MRXNPFEDSA-N 1 2 359.474 2.665 20 30 FFEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)C3(C#N)CCCCC3)CC2)no1 ZINC000328634020 526844158 /nfs/dbraw/zinc/84/41/58/526844158.db2.gz MJJKDAQYTFRCMG-MRXNPFEDSA-N 1 2 359.474 2.665 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCN(C(=O)[O-])C3)CC2)cc1 ZINC000833971740 606007886 /nfs/dbraw/zinc/00/78/86/606007886.db2.gz MFDFHNZPUWHAKB-GOSISDBHSA-N 1 2 356.470 2.502 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](CCC#N)CC(C)C)c1-c1nn[nH]n1 ZINC000822486303 606694343 /nfs/dbraw/zinc/69/43/43/606694343.db2.gz FSFMLCZUKZTADR-UHFFFAOYSA-N 1 2 364.457 2.733 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+](CCC#N)CC(C)C)c1-c1nn[nH]n1 ZINC000822486303 606694344 /nfs/dbraw/zinc/69/43/44/606694344.db2.gz FSFMLCZUKZTADR-UHFFFAOYSA-N 1 2 364.457 2.733 20 30 FFEDLO C=C(Br)CNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000743565054 735305981 /nfs/dbraw/zinc/30/59/81/735305981.db2.gz PBOYCCFWUAZYTL-CQSZACIVSA-N 1 2 363.259 2.912 20 30 FFEDLO COc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)cc1C#N ZINC000746576462 735495190 /nfs/dbraw/zinc/49/51/90/735495190.db2.gz NOBTUTAVULLFAQ-MRXNPFEDSA-N 1 2 374.238 2.646 20 30 FFEDLO C=C(Br)CNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000069120001 728195995 /nfs/dbraw/zinc/19/59/95/728195995.db2.gz ANYTUKAMCULHNU-VMPITWQZSA-N 1 2 364.287 2.936 20 30 FFEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](C)C[C@H]2CCCOC2)c1=S ZINC000107672170 728517072 /nfs/dbraw/zinc/51/70/72/728517072.db2.gz SGZABRLSBWWQQW-OAHLLOKOSA-N 1 2 359.499 2.978 20 30 FFEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)C[C@H]2CCCOC2)c1=S ZINC000107672170 728517074 /nfs/dbraw/zinc/51/70/74/728517074.db2.gz SGZABRLSBWWQQW-OAHLLOKOSA-N 1 2 359.499 2.978 20 30 FFEDLO N#Cc1ccc(F)c(CS(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000120406712 728610809 /nfs/dbraw/zinc/61/08/09/728610809.db2.gz NTRLXIPDCHEBAS-UHFFFAOYSA-N 1 2 357.366 2.792 20 30 FFEDLO CCCS(=O)(=O)N1CCC([NH2+][C@@H](CC)c2cccc(C#N)c2O)CC1 ZINC000924658419 738436932 /nfs/dbraw/zinc/43/69/32/738436932.db2.gz QHTNUXKRADTPMC-KRWDZBQOSA-N 1 2 365.499 2.509 20 30 FFEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3nccc(Br)c3C2)cc1 ZINC000857913530 730414204 /nfs/dbraw/zinc/41/42/04/730414204.db2.gz LOICJBWDHIUOAX-KRWDZBQOSA-N 1 2 358.239 2.807 20 30 FFEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3nccc(Br)c3C2)cc1 ZINC000857913530 730414205 /nfs/dbraw/zinc/41/42/05/730414205.db2.gz LOICJBWDHIUOAX-KRWDZBQOSA-N 1 2 358.239 2.807 20 30 FFEDLO N#Cc1ccc(CSCCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000871708756 731669992 /nfs/dbraw/zinc/66/99/92/731669992.db2.gz QMZYNKXYFPENNL-UHFFFAOYSA-N 1 2 356.451 2.518 20 30 FFEDLO C=CCn1c(=S)n(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)nc1-c1cnccn1 ZINC000872713270 731818576 /nfs/dbraw/zinc/81/85/76/731818576.db2.gz NLRWDXGDUPAPQK-GASCZTMLSA-N 1 2 354.483 2.913 20 30 FFEDLO C=CCn1c(=S)n(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)nc1-c1cnccn1 ZINC000872713270 731818581 /nfs/dbraw/zinc/81/85/81/731818581.db2.gz NLRWDXGDUPAPQK-GASCZTMLSA-N 1 2 354.483 2.913 20 30 FFEDLO N#CCCN1CC[NH+](Cn2c3ccccc3nc2SC(F)F)CC1 ZINC000872735384 731822078 /nfs/dbraw/zinc/82/20/78/731822078.db2.gz LPJLRLKNSJRXHM-UHFFFAOYSA-N 1 2 351.426 2.840 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@H](C)COC ZINC000661246436 732187863 /nfs/dbraw/zinc/18/78/63/732187863.db2.gz IUZOSNGLMZRXBW-CYBMUJFWSA-N 1 2 368.861 2.963 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@H](C)COC ZINC000661246436 732187864 /nfs/dbraw/zinc/18/78/64/732187864.db2.gz IUZOSNGLMZRXBW-CYBMUJFWSA-N 1 2 368.861 2.963 20 30 FFEDLO Cn1ccnc1[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)C(C)(C)CO ZINC000878874685 732607371 /nfs/dbraw/zinc/60/73/71/732607371.db2.gz NODHEYYQTFSFLL-INIZCTEOSA-N 1 2 362.861 2.825 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880054551 732834590 /nfs/dbraw/zinc/83/45/90/732834590.db2.gz HOOIOXQEBGCDQG-HZSPNIEDSA-N 1 2 361.408 2.759 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880054551 732834594 /nfs/dbraw/zinc/83/45/94/732834594.db2.gz HOOIOXQEBGCDQG-HZSPNIEDSA-N 1 2 361.408 2.759 20 30 FFEDLO CC(C)CN(C(=O)CO[NH+]=C(N)c1ccc(Br)cc1)C1CC1 ZINC000782950030 738767653 /nfs/dbraw/zinc/76/76/53/738767653.db2.gz QBWCXBMGYOEMPY-UHFFFAOYSA-N 1 2 368.275 2.733 20 30 FFEDLO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1csc(C#N)c1 ZINC000891813491 734478927 /nfs/dbraw/zinc/47/89/27/734478927.db2.gz CWVRYDDCPKQRJM-UHFFFAOYSA-N 1 2 364.492 2.924 20 30 FFEDLO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1csc(C#N)c1 ZINC000891813491 734478928 /nfs/dbraw/zinc/47/89/28/734478928.db2.gz CWVRYDDCPKQRJM-UHFFFAOYSA-N 1 2 364.492 2.924 20 30 FFEDLO C#CC[C@@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2F)n1 ZINC000895489713 735014407 /nfs/dbraw/zinc/01/44/07/735014407.db2.gz HCLQYVBIVJFBOQ-ZDUSSCGKSA-N 1 2 365.405 2.580 20 30 FFEDLO CCn1c[nH+]cc1/C=C\C(=O)c1ccc(S(=O)(=O)CC(F)F)cc1 ZINC000901477523 735783814 /nfs/dbraw/zinc/78/38/14/735783814.db2.gz NJPMDXIVMCBHJB-YVMONPNESA-N 1 2 354.378 2.838 20 30 FFEDLO COCCN(C)c1ccc(C=[NH+]Nc2ccnc(Br)c2)cn1 ZINC000790176060 739424336 /nfs/dbraw/zinc/42/43/36/739424336.db2.gz LQYPJKJCTRKWOA-UHFFFAOYSA-N 1 2 364.247 2.768 20 30 FFEDLO C[C@@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1cccc(C#N)c1O ZINC000903424274 736090914 /nfs/dbraw/zinc/09/09/14/736090914.db2.gz PUHDQYIRVAQELU-CYBMUJFWSA-N 1 2 359.451 2.510 20 30 FFEDLO C=CCNC(=S)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000757941191 736437789 /nfs/dbraw/zinc/43/77/89/736437789.db2.gz TTZYZTKSSBUDPW-UHFFFAOYSA-N 1 2 353.289 2.598 20 30 FFEDLO C=CCSc1nc2ccccc2n1C[NH+]1CCC(S(C)(=O)=O)CC1 ZINC000760397159 736635273 /nfs/dbraw/zinc/63/52/73/736635273.db2.gz SCDIJUYKWGOMNP-UHFFFAOYSA-N 1 2 365.524 2.781 20 30 FFEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000764685759 737041634 /nfs/dbraw/zinc/04/16/34/737041634.db2.gz DJOBTDFVFZBQED-UHFFFAOYSA-N 1 2 374.853 2.794 20 30 FFEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](CC)C[C@@H]2CCOC2)c1=S ZINC000765012697 737072046 /nfs/dbraw/zinc/07/20/46/737072046.db2.gz XOUMQNWWYDUEKU-HNNXBMFYSA-N 1 2 359.499 2.978 20 30 FFEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](CC)C[C@@H]2CCOC2)c1=S ZINC000765012697 737072051 /nfs/dbraw/zinc/07/20/51/737072051.db2.gz XOUMQNWWYDUEKU-HNNXBMFYSA-N 1 2 359.499 2.978 20 30 FFEDLO S=C(NCc1ccccc1)N[NH+]=Cc1ccccc1N1CCOCC1 ZINC000912784808 737338510 /nfs/dbraw/zinc/33/85/10/737338510.db2.gz UCGAYEXULDFXMF-UHFFFAOYSA-N 1 2 354.479 2.521 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)Cc2csc(C#N)c2)c1C ZINC000914013826 737490846 /nfs/dbraw/zinc/49/08/46/737490846.db2.gz CTWUIRGEOUJXMC-UHFFFAOYSA-N 1 2 365.480 2.602 20 30 FFEDLO COCC[C@@H](C)O[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000769843049 737572817 /nfs/dbraw/zinc/57/28/17/737572817.db2.gz VKLLKAMSZJXXAN-CYBMUJFWSA-N 1 2 351.447 2.773 20 30 FFEDLO Cc1cccc(S(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1C#N ZINC000920623684 737917343 /nfs/dbraw/zinc/91/73/43/737917343.db2.gz AVTUNEUZSLFTLR-UHFFFAOYSA-N 1 2 356.451 2.527 20 30 FFEDLO O=c1[nH]ccc2cc(N[NH+]=Cc3ccc(N4CCOCC4)s3)ccc21 ZINC000789071825 739313950 /nfs/dbraw/zinc/31/39/50/739313950.db2.gz YEOYGWOWDYRPCZ-UHFFFAOYSA-N 1 2 354.435 2.872 20 30 FFEDLO CCN(C)c1ccc(C=[NH+]NC(=S)Nc2ccc(N(C)C)cc2)cn1 ZINC000790162504 739423857 /nfs/dbraw/zinc/42/38/57/739423857.db2.gz YFZHMWVFHGQQGH-UHFFFAOYSA-N 1 2 356.499 2.924 20 30 FFEDLO N#CC[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(F)(F)F ZINC000932922560 739538655 /nfs/dbraw/zinc/53/86/55/739538655.db2.gz MPHVQVNPBATUQT-ZDUSSCGKSA-N 1 2 355.295 2.655 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@H+](C[C@H](O)COCc3cccs3)CCO2)cc1 ZINC000933623426 739663397 /nfs/dbraw/zinc/66/33/97/739663397.db2.gz BMYRTGBQAOQZNI-HKUYNNGSSA-N 1 2 358.463 2.571 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@@H+](C[C@H](O)COCc3cccs3)CCO2)cc1 ZINC000933623426 739663403 /nfs/dbraw/zinc/66/34/03/739663403.db2.gz BMYRTGBQAOQZNI-HKUYNNGSSA-N 1 2 358.463 2.571 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ncc(C)s2)C1 ZINC000970560655 740752122 /nfs/dbraw/zinc/75/21/22/740752122.db2.gz NYZBGSYMNBECIY-HFTRVMKXSA-N 1 2 363.527 2.759 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000813432008 741715376 /nfs/dbraw/zinc/71/53/76/741715376.db2.gz CMOPWLPQCNBGHX-UHFFFAOYSA-N 1 2 356.209 2.683 20 30 FFEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)CC1 ZINC001000694239 742093743 /nfs/dbraw/zinc/09/37/43/742093743.db2.gz VXOTVRPJICYFJB-MSOLQXFVSA-N 1 2 361.873 2.660 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)CC1 ZINC001000694239 742093747 /nfs/dbraw/zinc/09/37/47/742093747.db2.gz VXOTVRPJICYFJB-MSOLQXFVSA-N 1 2 361.873 2.660 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2cscn2)CC1 ZINC001006107404 742277678 /nfs/dbraw/zinc/27/76/78/742277678.db2.gz CVXNUFZFZMXUOI-ROUUACIJSA-N 1 2 363.527 2.937 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001008856577 742412059 /nfs/dbraw/zinc/41/20/59/742412059.db2.gz SIMFOEPBMVMNSV-RYRKJORJSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001008856577 742412062 /nfs/dbraw/zinc/41/20/62/742412062.db2.gz SIMFOEPBMVMNSV-RYRKJORJSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001015721371 742478301 /nfs/dbraw/zinc/47/83/01/742478301.db2.gz HNTWEGRXBUYERE-AHIWAGSCSA-N 1 2 352.837 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001015721371 742478303 /nfs/dbraw/zinc/47/83/03/742478303.db2.gz HNTWEGRXBUYERE-AHIWAGSCSA-N 1 2 352.837 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001015721392 742478433 /nfs/dbraw/zinc/47/84/33/742478433.db2.gz HZNJVIVOJMOUEY-UXLLHSPISA-N 1 2 352.837 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001015721392 742478435 /nfs/dbraw/zinc/47/84/35/742478435.db2.gz HZNJVIVOJMOUEY-UXLLHSPISA-N 1 2 352.837 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2OC)C1 ZINC001015726493 742479603 /nfs/dbraw/zinc/47/96/03/742479603.db2.gz NXDNGLSYBLMJJB-ZACQAIPSSA-N 1 2 364.873 2.630 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2OC)C1 ZINC001015726493 742479607 /nfs/dbraw/zinc/47/96/07/742479607.db2.gz NXDNGLSYBLMJJB-ZACQAIPSSA-N 1 2 364.873 2.630 20 30 FFEDLO C#C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000820565401 742519660 /nfs/dbraw/zinc/51/96/60/742519660.db2.gz NBAUNDJQAAYXDY-QZTJIDSGSA-N 1 2 361.873 2.521 20 30 FFEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001027500844 742772933 /nfs/dbraw/zinc/77/29/33/742772933.db2.gz MKAHQMZGAHGZQS-XHSDSOJGSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001027500844 742772936 /nfs/dbraw/zinc/77/29/36/742772936.db2.gz MKAHQMZGAHGZQS-XHSDSOJGSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC001027613042 742776240 /nfs/dbraw/zinc/77/62/40/742776240.db2.gz RVCNZXDEAHQVGO-SQNIBIBYSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2csc(C)n2)C1 ZINC001027613042 742776244 /nfs/dbraw/zinc/77/62/44/742776244.db2.gz RVCNZXDEAHQVGO-SQNIBIBYSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cscn2)C1 ZINC001034436636 742926456 /nfs/dbraw/zinc/92/64/56/742926456.db2.gz NNINWJFWTRYUHD-NJAFHUGGSA-N 1 2 363.527 2.985 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cscn2)C1 ZINC001034436636 742926459 /nfs/dbraw/zinc/92/64/59/742926459.db2.gz NNINWJFWTRYUHD-NJAFHUGGSA-N 1 2 363.527 2.985 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001046962733 743344275 /nfs/dbraw/zinc/34/42/75/743344275.db2.gz OUKVTFNGQOJVPD-KFWWJZLASA-N 1 2 362.848 2.627 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001046962733 743344281 /nfs/dbraw/zinc/34/42/81/743344281.db2.gz OUKVTFNGQOJVPD-KFWWJZLASA-N 1 2 362.848 2.627 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cscn1 ZINC001049487713 743466613 /nfs/dbraw/zinc/46/66/13/743466613.db2.gz VBLIZYQVCVSGDX-OWSLCNJRSA-N 1 2 361.511 2.690 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cscn1 ZINC001049487713 743466617 /nfs/dbraw/zinc/46/66/17/743466617.db2.gz VBLIZYQVCVSGDX-OWSLCNJRSA-N 1 2 361.511 2.690 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCO[C@H]1CC ZINC001049609206 743476077 /nfs/dbraw/zinc/47/60/77/743476077.db2.gz GHILYIDJOQNWBJ-WCVJEAGWSA-N 1 2 371.319 2.775 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCO[C@H]1CC ZINC001049609206 743476082 /nfs/dbraw/zinc/47/60/82/743476082.db2.gz GHILYIDJOQNWBJ-WCVJEAGWSA-N 1 2 371.319 2.775 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cscn1 ZINC001049777464 743487234 /nfs/dbraw/zinc/48/72/34/743487234.db2.gz ICDZYUUBSOSPHS-XSLAGTTESA-N 1 2 361.511 2.690 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cscn1 ZINC001049777464 743487242 /nfs/dbraw/zinc/48/72/42/743487242.db2.gz ICDZYUUBSOSPHS-XSLAGTTESA-N 1 2 361.511 2.690 20 30 FFEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)O2 ZINC001053674837 744998278 /nfs/dbraw/zinc/99/82/78/744998278.db2.gz WZNZVNWBNYEGCP-OKZBNKHCSA-N 1 2 360.885 2.979 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)CO2 ZINC001053952748 745001769 /nfs/dbraw/zinc/00/17/69/745001769.db2.gz BAGYXUNCRROTBC-FGTMMUONSA-N 1 2 360.885 2.979 20 30 FFEDLO COC(=O)c1ccc(N[NH+]=Cc2ccc(N3CCOCC3)s2)cc1F ZINC000835020339 745931412 /nfs/dbraw/zinc/93/14/12/745931412.db2.gz LDFKACIDRRXLNN-UHFFFAOYSA-N 1 2 363.414 2.956 20 30 FFEDLO N#CC1CC[NH+](CN2CC(c3ccc(Br)cc3)=CC2=O)CC1 ZINC000844689618 748074604 /nfs/dbraw/zinc/07/46/04/748074604.db2.gz YFIPOFPMTGUMCI-UHFFFAOYSA-N 1 2 360.255 2.868 20 30 FFEDLO CCOC(C[N@H+](CC)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)OCC ZINC000846975346 748588601 /nfs/dbraw/zinc/58/86/01/748588601.db2.gz PTQZZYDCQSZORQ-CYBMUJFWSA-N 1 2 351.447 2.816 20 30 FFEDLO CCOC(C[N@@H+](CC)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)OCC ZINC000846975346 748588609 /nfs/dbraw/zinc/58/86/09/748588609.db2.gz PTQZZYDCQSZORQ-CYBMUJFWSA-N 1 2 351.447 2.816 20 30 FFEDLO CC(=NNCCCn1cc[nH+]c1)c1cc(Br)cc(F)c1O ZINC000848417319 748920709 /nfs/dbraw/zinc/92/07/09/748920709.db2.gz UMWNFJGONKEIOZ-UHFFFAOYSA-N 1 2 355.211 2.894 20 30 FFEDLO CC(=NNCCCn1cc[nH+]c1)c1ccccc1I ZINC000848418250 748921322 /nfs/dbraw/zinc/92/13/22/748921322.db2.gz LKEVYMQWYKSAHN-UHFFFAOYSA-N 1 2 368.222 2.892 20 30 FFEDLO N#Cc1ccc(OCC[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000121624905 845639984 /nfs/dbraw/zinc/63/99/84/845639984.db2.gz OWRZRTFHQXZCGJ-SJLPKXTDSA-N 1 2 358.463 2.823 20 30 FFEDLO N#Cc1ccc(OCC[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000121624905 845639987 /nfs/dbraw/zinc/63/99/87/845639987.db2.gz OWRZRTFHQXZCGJ-SJLPKXTDSA-N 1 2 358.463 2.823 20 30 FFEDLO Cc1nc(NC[C@@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)ccc1C#N ZINC001105002158 971327074 /nfs/dbraw/zinc/32/70/74/971327074.db2.gz WHDJQGRADKJWHV-BRWVUGGUSA-N 1 2 366.469 2.731 20 30 FFEDLO Cc1nc(NC[C@@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccc1C#N ZINC001105002158 971327082 /nfs/dbraw/zinc/32/70/82/971327082.db2.gz WHDJQGRADKJWHV-BRWVUGGUSA-N 1 2 366.469 2.731 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@@H]2C1 ZINC001087973055 971414046 /nfs/dbraw/zinc/41/40/46/971414046.db2.gz HTZGHGJEGVLUSV-PMPSAXMXSA-N 1 2 369.362 2.739 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@@H]2C1 ZINC001087973055 971414051 /nfs/dbraw/zinc/41/40/51/971414051.db2.gz HTZGHGJEGVLUSV-PMPSAXMXSA-N 1 2 369.362 2.739 20 30 FFEDLO Cn1ncc(C(F)(F)F)c1C[N@@H+]1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000896650623 971650514 /nfs/dbraw/zinc/65/05/14/971650514.db2.gz JLNVWCQMNZCJKO-CYBMUJFWSA-N 1 2 364.375 2.782 20 30 FFEDLO Cn1ncc(C(F)(F)F)c1C[N@H+]1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000896650623 971650521 /nfs/dbraw/zinc/65/05/21/971650521.db2.gz JLNVWCQMNZCJKO-CYBMUJFWSA-N 1 2 364.375 2.782 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001211655787 971736436 /nfs/dbraw/zinc/73/64/36/971736436.db2.gz YDVYSWJZNKFFPC-RBUKOAKNSA-N 1 2 368.506 2.816 20 30 FFEDLO Cn1cccc1C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075553365 971795462 /nfs/dbraw/zinc/79/54/62/971795462.db2.gz HZSKQRBSOAYLKI-FXAWDEMLSA-N 1 2 367.880 2.877 20 30 FFEDLO Cn1cccc1C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075553365 971795469 /nfs/dbraw/zinc/79/54/69/971795469.db2.gz HZSKQRBSOAYLKI-FXAWDEMLSA-N 1 2 367.880 2.877 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)c(C)o2)CC1(C)C ZINC000974586795 972034044 /nfs/dbraw/zinc/03/40/44/972034044.db2.gz HBYHTHMFOSQSRI-IXDOHACOSA-N 1 2 361.486 2.599 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2nc(C)c(C)o2)CC1(C)C ZINC000974586795 972034048 /nfs/dbraw/zinc/03/40/48/972034048.db2.gz HBYHTHMFOSQSRI-IXDOHACOSA-N 1 2 361.486 2.599 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ncoc2C(C)C)C1 ZINC000969692189 959767833 /nfs/dbraw/zinc/76/78/33/959767833.db2.gz LHGGFFVJYRZNIN-LESCRADOSA-N 1 2 361.486 2.716 20 30 FFEDLO Cc1cccc2nc(C[N@@H+]3CCC[C@]34CCN(CCCC#N)C4=O)cn21 ZINC001275921696 1013194801 /nfs/dbraw/zinc/19/48/01/1013194801.db2.gz ZUVFWKYWQQEQKW-HXUWFJFHSA-N 1 2 351.454 2.513 20 30 FFEDLO Cc1cccc2nc(C[N@H+]3CCC[C@]34CCN(CCCC#N)C4=O)cn21 ZINC001275921696 1013194809 /nfs/dbraw/zinc/19/48/09/1013194809.db2.gz ZUVFWKYWQQEQKW-HXUWFJFHSA-N 1 2 351.454 2.513 20 30 FFEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC001167273346 960547990 /nfs/dbraw/zinc/54/79/90/960547990.db2.gz CUNJSZVZSDBXFD-OAHLLOKOSA-N 1 2 359.445 2.808 20 30 FFEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC001167273346 960548008 /nfs/dbraw/zinc/54/80/08/960548008.db2.gz CUNJSZVZSDBXFD-OAHLLOKOSA-N 1 2 359.445 2.808 20 30 FFEDLO COC(C)(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C#N)ccc2F)C1=O ZINC001275950062 1013219703 /nfs/dbraw/zinc/21/97/03/1013219703.db2.gz YGJNVWWUWLVBCL-FQEVSTJZSA-N 1 2 359.445 2.689 20 30 FFEDLO COC(C)(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cc(C#N)ccc2F)C1=O ZINC001275950062 1013219707 /nfs/dbraw/zinc/21/97/07/1013219707.db2.gz YGJNVWWUWLVBCL-FQEVSTJZSA-N 1 2 359.445 2.689 20 30 FFEDLO C[C@@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000970460213 961377231 /nfs/dbraw/zinc/37/72/31/961377231.db2.gz SARLMACOQLRFJI-ZESCBINXSA-N 1 2 372.896 2.696 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cncc(F)c2)C1 ZINC000970561557 961700552 /nfs/dbraw/zinc/70/05/52/961700552.db2.gz YPGOVRDPOITUSR-CCKFTAQKSA-N 1 2 361.461 2.529 20 30 FFEDLO C=CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3sc(Cl)nc3Cl)C2)C1=O ZINC001276028708 1013295054 /nfs/dbraw/zinc/29/50/54/1013295054.db2.gz JVFVYMGQDPUUSM-HNNXBMFYSA-N 1 2 374.293 2.977 20 30 FFEDLO C=CCN1C(=O)C[C@]2(CCC[N@H+](Cc3sc(Cl)nc3Cl)C2)C1=O ZINC001276028708 1013295057 /nfs/dbraw/zinc/29/50/57/1013295057.db2.gz JVFVYMGQDPUUSM-HNNXBMFYSA-N 1 2 374.293 2.977 20 30 FFEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2c1 ZINC000255166963 962196008 /nfs/dbraw/zinc/19/60/08/962196008.db2.gz ZUVUHZOIRYXYRQ-YFHOEESVSA-N 1 2 369.446 2.789 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)c2noc(C)n2)C1 ZINC001104293933 962368241 /nfs/dbraw/zinc/36/82/41/962368241.db2.gz MENNGCUCGUTQFC-BFYDXBDKSA-N 1 2 371.485 2.815 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)OCC1=O ZINC001276044489 1013357569 /nfs/dbraw/zinc/35/75/69/1013357569.db2.gz BHHITBMPPZUOSK-KRWDZBQOSA-N 1 2 372.362 2.834 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)OCC1=O ZINC001276044489 1013357580 /nfs/dbraw/zinc/35/75/80/1013357580.db2.gz BHHITBMPPZUOSK-KRWDZBQOSA-N 1 2 372.362 2.834 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OC)c1ccc(F)cc1)C2 ZINC001110177436 1013359333 /nfs/dbraw/zinc/35/93/33/1013359333.db2.gz QDVPCBHSLCZSCT-QZWWFDLISA-N 1 2 352.837 2.987 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OC)c1ccc(F)cc1)C2 ZINC001110177436 1013359342 /nfs/dbraw/zinc/35/93/42/1013359342.db2.gz QDVPCBHSLCZSCT-QZWWFDLISA-N 1 2 352.837 2.987 20 30 FFEDLO C[N@@H+](Cc1ccc(C#N)s1)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000960678546 1013449516 /nfs/dbraw/zinc/44/95/16/1013449516.db2.gz GJCFWTDDEHOEML-IAOVAPTHSA-N 1 2 369.494 2.569 20 30 FFEDLO C[N@H+](Cc1ccc(C#N)s1)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000960678546 1013449521 /nfs/dbraw/zinc/44/95/21/1013449521.db2.gz GJCFWTDDEHOEML-IAOVAPTHSA-N 1 2 369.494 2.569 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc4[nH]c(=O)oc43)CC2)c(F)c1 ZINC000891827789 965167901 /nfs/dbraw/zinc/16/79/01/965167901.db2.gz ZUPRMFAELZMRDT-UHFFFAOYSA-N 1 2 352.369 2.866 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2ccns2)C1 ZINC001087470761 965360308 /nfs/dbraw/zinc/36/03/08/965360308.db2.gz VKXRYVQPKKDHBW-ROUUACIJSA-N 1 2 369.490 2.763 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2ccns2)C1 ZINC001087470761 965360318 /nfs/dbraw/zinc/36/03/18/965360318.db2.gz VKXRYVQPKKDHBW-ROUUACIJSA-N 1 2 369.490 2.763 20 30 FFEDLO O=C([C@@H]1CC1(F)F)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075767458 965901309 /nfs/dbraw/zinc/90/13/09/965901309.db2.gz XJPSZYQRXKZKIF-YQQAZPJKSA-N 1 2 364.823 2.879 20 30 FFEDLO O=C([C@@H]1CC1(F)F)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075767458 965901324 /nfs/dbraw/zinc/90/13/24/965901324.db2.gz XJPSZYQRXKZKIF-YQQAZPJKSA-N 1 2 364.823 2.879 20 30 FFEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC3(C2)CCCCC3)nc[nH+]1 ZINC000329592380 967829425 /nfs/dbraw/zinc/82/94/25/967829425.db2.gz UIWXTNQVNTYVPE-OAHLLOKOSA-N 1 2 358.490 2.667 20 30 FFEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC3(C2)CCCCC3)[nH+]cn1 ZINC000329592380 967829438 /nfs/dbraw/zinc/82/94/38/967829438.db2.gz UIWXTNQVNTYVPE-OAHLLOKOSA-N 1 2 358.490 2.667 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2OCC[C@H]2CC)[C@H]1CC ZINC001087609257 968348761 /nfs/dbraw/zinc/34/87/61/968348761.db2.gz CIUDHHIMBIVMFK-BARDWOONSA-N 1 2 359.308 2.679 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2OCC[C@H]2CC)[C@H]1CC ZINC001087609257 968348767 /nfs/dbraw/zinc/34/87/67/968348767.db2.gz CIUDHHIMBIVMFK-BARDWOONSA-N 1 2 359.308 2.679 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cn(CC)nc2C)[C@H]1CC ZINC001087743661 968847009 /nfs/dbraw/zinc/84/70/09/968847009.db2.gz FMLNEYGHTMJHLU-LSDHHAIUSA-N 1 2 369.307 2.703 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cn(CC)nc2C)[C@H]1CC ZINC001087743661 968847016 /nfs/dbraw/zinc/84/70/16/968847016.db2.gz FMLNEYGHTMJHLU-LSDHHAIUSA-N 1 2 369.307 2.703 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2n[nH]c3c2C[C@H](C)CC3)[C@H]1CC ZINC001087780482 969033842 /nfs/dbraw/zinc/03/38/42/969033842.db2.gz JIJHFCXFVGUDGT-XFBWCDHKSA-N 1 2 350.894 2.870 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]c3c2C[C@H](C)CC3)[C@H]1CC ZINC001087780482 969033854 /nfs/dbraw/zinc/03/38/54/969033854.db2.gz JIJHFCXFVGUDGT-XFBWCDHKSA-N 1 2 350.894 2.870 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)s3)[C@@H]2CC)nc1 ZINC001087800317 969123714 /nfs/dbraw/zinc/12/37/14/969123714.db2.gz MEYNIQXVRJCQMU-DOTOQJQBSA-N 1 2 354.479 2.611 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)s3)[C@@H]2CC)nc1 ZINC001087800317 969123721 /nfs/dbraw/zinc/12/37/21/969123721.db2.gz MEYNIQXVRJCQMU-DOTOQJQBSA-N 1 2 354.479 2.611 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C(F)(F)F)s1)C2 ZINC001111485426 969155531 /nfs/dbraw/zinc/15/55/31/969155531.db2.gz USRGDSXXNPROGD-UPJWGTAASA-N 1 2 372.412 2.752 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C(F)(F)F)s1)C2 ZINC001111485426 969155536 /nfs/dbraw/zinc/15/55/36/969155536.db2.gz USRGDSXXNPROGD-UPJWGTAASA-N 1 2 372.412 2.752 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000065948605 969177093 /nfs/dbraw/zinc/17/70/93/969177093.db2.gz MDTIAWAVCSFBQK-UHFFFAOYSA-N 1 2 359.382 2.952 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cc(CC)on2)[C@H]1CC ZINC001087801773 970301914 /nfs/dbraw/zinc/30/19/14/970301914.db2.gz FLTHWOLJBYPDCL-GXTWGEPZSA-N 1 2 356.264 2.728 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cc(CC)on2)[C@H]1CC ZINC001087801773 970301920 /nfs/dbraw/zinc/30/19/20/970301920.db2.gz FLTHWOLJBYPDCL-GXTWGEPZSA-N 1 2 356.264 2.728 20 30 FFEDLO N#CCN1CCC(CNc2[nH+]cnc3c2cnn3-c2ccccc2F)CC1 ZINC000892883388 970349135 /nfs/dbraw/zinc/34/91/35/970349135.db2.gz CMXZZHZOSFUKBP-UHFFFAOYSA-N 1 2 365.416 2.602 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C(C)C)CC[C@@H]2C1 ZINC001088093427 972730516 /nfs/dbraw/zinc/73/05/16/972730516.db2.gz WOKSSCPXLOIYGK-FUHIMQAGSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C(C)C)CC[C@@H]2C1 ZINC001088093427 972730523 /nfs/dbraw/zinc/73/05/23/972730523.db2.gz WOKSSCPXLOIYGK-FUHIMQAGSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)CC[C@@H]2C1 ZINC001088093326 972730906 /nfs/dbraw/zinc/73/09/06/972730906.db2.gz SHDZRNVIUHEEKJ-GQIGUUNPSA-N 1 2 359.518 2.811 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)CC[C@@H]2C1 ZINC001088093326 972730911 /nfs/dbraw/zinc/73/09/11/972730911.db2.gz SHDZRNVIUHEEKJ-GQIGUUNPSA-N 1 2 359.518 2.811 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)CC[C@@H]2C1 ZINC001088093327 972731197 /nfs/dbraw/zinc/73/11/97/972731197.db2.gz SHDZRNVIUHEEKJ-GUXCAODWSA-N 1 2 359.518 2.811 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)CC[C@@H]2C1 ZINC001088093327 972731205 /nfs/dbraw/zinc/73/12/05/972731205.db2.gz SHDZRNVIUHEEKJ-GUXCAODWSA-N 1 2 359.518 2.811 20 30 FFEDLO C#CC[C@@H](CCOC)NC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000875920274 1014095604 /nfs/dbraw/zinc/09/56/04/1014095604.db2.gz ZFMKYEUJDZACFI-HKUYNNGSSA-N 1 2 373.497 2.512 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)cc1 ZINC001271562641 973879624 /nfs/dbraw/zinc/87/96/24/973879624.db2.gz WFNMZTRZNNEVNG-CALCHBBNSA-N 1 2 352.463 2.812 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)cc1 ZINC001271562641 973879627 /nfs/dbraw/zinc/87/96/27/973879627.db2.gz WFNMZTRZNNEVNG-CALCHBBNSA-N 1 2 352.463 2.812 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)[C@@H](C)COC ZINC000661243900 973978016 /nfs/dbraw/zinc/97/80/16/973978016.db2.gz PIRKYQCCLVBXHM-HNNXBMFYSA-N 1 2 356.470 2.951 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)[C@@H](C)COC ZINC000661243900 973978026 /nfs/dbraw/zinc/97/80/26/973978026.db2.gz PIRKYQCCLVBXHM-HNNXBMFYSA-N 1 2 356.470 2.951 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001483067853 975714696 /nfs/dbraw/zinc/71/46/96/975714696.db2.gz HAGLVKSSMANLKW-UHCGQYCJSA-N 1 2 361.486 2.715 20 30 FFEDLO O=C(c1cncs1)N1CC[C@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001075589940 975982536 /nfs/dbraw/zinc/98/25/36/975982536.db2.gz VLYMTKLIYSDQOC-DOTOQJQBSA-N 1 2 371.893 2.995 20 30 FFEDLO O=C(c1cncs1)N1CC[C@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001075589940 975982542 /nfs/dbraw/zinc/98/25/42/975982542.db2.gz VLYMTKLIYSDQOC-DOTOQJQBSA-N 1 2 371.893 2.995 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(c3cccnc3)CC2)[C@H]1C ZINC001088810186 976619389 /nfs/dbraw/zinc/61/93/89/976619389.db2.gz LYFIENRTELNFAC-HIFRSBDPSA-N 1 2 364.287 2.601 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(c3cccnc3)CC2)[C@H]1C ZINC001088810186 976619396 /nfs/dbraw/zinc/61/93/96/976619396.db2.gz LYFIENRTELNFAC-HIFRSBDPSA-N 1 2 364.287 2.601 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(F)cc1Cl ZINC001268250753 977293148 /nfs/dbraw/zinc/29/31/48/977293148.db2.gz HEKKEFCVLPFPTC-WBVHZDCISA-N 1 2 354.853 2.960 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(F)cc1Cl ZINC001268250753 977293153 /nfs/dbraw/zinc/29/31/53/977293153.db2.gz HEKKEFCVLPFPTC-WBVHZDCISA-N 1 2 354.853 2.960 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3coc(-c4cccs4)n3)C[C@H]21 ZINC001075616005 977314253 /nfs/dbraw/zinc/31/42/53/977314253.db2.gz GMSPUJDIMGWHGR-VNHYZAJKSA-N 1 2 356.451 2.595 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3coc(-c4cccs4)n3)C[C@H]21 ZINC001075616005 977314262 /nfs/dbraw/zinc/31/42/62/977314262.db2.gz GMSPUJDIMGWHGR-VNHYZAJKSA-N 1 2 356.451 2.595 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000982173474 977323089 /nfs/dbraw/zinc/32/30/89/977323089.db2.gz OITKDKPKBRNBHW-ICSRJNTNSA-N 1 2 371.456 2.713 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000982173474 977323096 /nfs/dbraw/zinc/32/30/96/977323096.db2.gz OITKDKPKBRNBHW-ICSRJNTNSA-N 1 2 371.456 2.713 20 30 FFEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001481674520 977382488 /nfs/dbraw/zinc/38/24/88/977382488.db2.gz UWAKYMJRGGZDRW-CGXNFDGLSA-N 1 2 352.478 2.505 20 30 FFEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001481674520 977382498 /nfs/dbraw/zinc/38/24/98/977382498.db2.gz UWAKYMJRGGZDRW-CGXNFDGLSA-N 1 2 352.478 2.505 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCF)CC[C@@H]1c1ccccc1 ZINC001087439226 977390416 /nfs/dbraw/zinc/39/04/16/977390416.db2.gz MFOLACRGOUFZAE-WCIQWLHISA-N 1 2 360.473 2.911 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCF)CC[C@@H]1c1ccccc1 ZINC001087439226 977390420 /nfs/dbraw/zinc/39/04/20/977390420.db2.gz MFOLACRGOUFZAE-WCIQWLHISA-N 1 2 360.473 2.911 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cnc(COC)s2)C1 ZINC001087443925 977595493 /nfs/dbraw/zinc/59/54/93/977595493.db2.gz NDLZOCBPXOLKFE-IAGOWNOFSA-N 1 2 369.490 2.511 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cnc(COC)s2)C1 ZINC001087443925 977595497 /nfs/dbraw/zinc/59/54/97/977595497.db2.gz NDLZOCBPXOLKFE-IAGOWNOFSA-N 1 2 369.490 2.511 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cc(CC)on2)C1 ZINC001087459524 977978301 /nfs/dbraw/zinc/97/83/01/977978301.db2.gz IYOPSDPJLJKMSN-IEBWSBKVSA-N 1 2 355.413 2.597 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cc(CC)on2)C1 ZINC001087459524 977978306 /nfs/dbraw/zinc/97/83/06/977978306.db2.gz IYOPSDPJLJKMSN-IEBWSBKVSA-N 1 2 355.413 2.597 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Oc3ccc(OC)cc3)[C@@H]2C1 ZINC001076108298 979123502 /nfs/dbraw/zinc/12/35/02/979123502.db2.gz JBBKDNOXUJCFJU-RLFYNMQTSA-N 1 2 364.873 2.748 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Oc3ccc(OC)cc3)[C@@H]2C1 ZINC001076108298 979123504 /nfs/dbraw/zinc/12/35/04/979123504.db2.gz JBBKDNOXUJCFJU-RLFYNMQTSA-N 1 2 364.873 2.748 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CC3CC(OCC)C3)[C@@H]2C1 ZINC001076161456 979177244 /nfs/dbraw/zinc/17/72/44/979177244.db2.gz NZOJVTBJKQNJPA-BHDPWAOGSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC(OCC)C3)[C@@H]2C1 ZINC001076161456 979177249 /nfs/dbraw/zinc/17/72/49/979177249.db2.gz NZOJVTBJKQNJPA-BHDPWAOGSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3ccco3)[C@@H]2C1 ZINC001076351652 979409295 /nfs/dbraw/zinc/40/92/95/979409295.db2.gz CMVSWFYWTDPLBU-IVMMDQJWSA-N 1 2 367.287 2.900 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3ccco3)[C@@H]2C1 ZINC001076351652 979409297 /nfs/dbraw/zinc/40/92/97/979409297.db2.gz CMVSWFYWTDPLBU-IVMMDQJWSA-N 1 2 367.287 2.900 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ncccc4F)[C@@H]3C2)c1 ZINC001076400023 979460226 /nfs/dbraw/zinc/46/02/26/979460226.db2.gz MWGUXZPDPQEJLJ-KBXCAEBGSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCN(C(=O)c4ncccc4F)[C@@H]3C2)c1 ZINC001076400023 979460232 /nfs/dbraw/zinc/46/02/32/979460232.db2.gz MWGUXZPDPQEJLJ-KBXCAEBGSA-N 1 2 368.387 2.578 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000963443277 1014634227 /nfs/dbraw/zinc/63/42/27/1014634227.db2.gz MGJIWJIPKNBMSQ-LMSBXDPUSA-N 1 2 370.497 2.707 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000963443277 1014634231 /nfs/dbraw/zinc/63/42/31/1014634231.db2.gz MGJIWJIPKNBMSQ-LMSBXDPUSA-N 1 2 370.497 2.707 20 30 FFEDLO C=CCCC[C@H]1NC(=O)N(c2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1=O ZINC000905450384 980436974 /nfs/dbraw/zinc/43/69/74/980436974.db2.gz MAYVYIMXOCZQJK-CRAIPNDOSA-N 1 2 357.454 2.861 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)nn1 ZINC000653573740 980619402 /nfs/dbraw/zinc/61/94/02/980619402.db2.gz LMKFBQXLRZCNLH-UHFFFAOYSA-N 1 2 374.876 2.753 20 30 FFEDLO CO[C@H]1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)Cc3cccnc3N2C1 ZINC000877687885 1014681493 /nfs/dbraw/zinc/68/14/93/1014681493.db2.gz NABWVZBYZMDSSD-MSOLQXFVSA-N 1 2 352.413 2.702 20 30 FFEDLO CO[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)Cc3cccnc3N2C1 ZINC000877687885 1014681498 /nfs/dbraw/zinc/68/14/98/1014681498.db2.gz NABWVZBYZMDSSD-MSOLQXFVSA-N 1 2 352.413 2.702 20 30 FFEDLO C=C1CCC(C(=O)NCC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001059854279 980981939 /nfs/dbraw/zinc/98/19/39/980981939.db2.gz DFJIKJFGBKHNCX-KBAYOESNSA-N 1 2 370.497 2.614 20 30 FFEDLO C=C1CCC(C(=O)NCC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001059854279 980981943 /nfs/dbraw/zinc/98/19/43/980981943.db2.gz DFJIKJFGBKHNCX-KBAYOESNSA-N 1 2 370.497 2.614 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000907132687 981202360 /nfs/dbraw/zinc/20/23/60/981202360.db2.gz OIZDPWBEMJZITE-OAHLLOKOSA-N 1 2 374.485 2.549 20 30 FFEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907808053 981307625 /nfs/dbraw/zinc/30/76/25/981307625.db2.gz CYHJZKGJVINDFU-APWZRJJASA-N 1 2 372.513 2.902 20 30 FFEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907808053 981307633 /nfs/dbraw/zinc/30/76/33/981307633.db2.gz CYHJZKGJVINDFU-APWZRJJASA-N 1 2 372.513 2.902 20 30 FFEDLO CC1(C)OC[C@@H]([C@@H]2C[N@H+](Cc3cccc(OCCCC#N)c3)CCO2)O1 ZINC000877785408 1014727381 /nfs/dbraw/zinc/72/73/81/1014727381.db2.gz VTLPPYLAZPECAM-OALUTQOASA-N 1 2 360.454 2.721 20 30 FFEDLO CC1(C)OC[C@@H]([C@@H]2C[N@@H+](Cc3cccc(OCCCC#N)c3)CCO2)O1 ZINC000877785408 1014727390 /nfs/dbraw/zinc/72/73/90/1014727390.db2.gz VTLPPYLAZPECAM-OALUTQOASA-N 1 2 360.454 2.721 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2c(Cl)cccc2OC)C[C@H]1OC ZINC001212022525 981459379 /nfs/dbraw/zinc/45/93/79/981459379.db2.gz VXWFMMWPOKNJGE-NVXWUHKLSA-N 1 2 352.862 2.630 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2c(Cl)cccc2OC)C[C@H]1OC ZINC001212022525 981459381 /nfs/dbraw/zinc/45/93/81/981459381.db2.gz VXWFMMWPOKNJGE-NVXWUHKLSA-N 1 2 352.862 2.630 20 30 FFEDLO CCc1ncsc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088607956 981495264 /nfs/dbraw/zinc/49/52/64/981495264.db2.gz ATJZHHFJQZUBTE-DYVFJYSZSA-N 1 2 354.479 2.970 20 30 FFEDLO CCc1ncsc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088607956 981495267 /nfs/dbraw/zinc/49/52/67/981495267.db2.gz ATJZHHFJQZUBTE-DYVFJYSZSA-N 1 2 354.479 2.970 20 30 FFEDLO NC(=[NH+]OC[C@H]1CCNC(=O)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000842026300 982620559 /nfs/dbraw/zinc/62/05/59/982620559.db2.gz BKLPLMFYENCTTB-QGZVFWFLSA-N 1 2 367.449 2.819 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@H]2C)CC1 ZINC000989827462 982881927 /nfs/dbraw/zinc/88/19/27/982881927.db2.gz LKXSROUETPEFQP-OIISXLGYSA-N 1 2 370.497 2.682 20 30 FFEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)cc1 ZINC000127033024 1014972269 /nfs/dbraw/zinc/97/22/69/1014972269.db2.gz DHCFLJMVVZYJON-FQEVSTJZSA-N 1 2 355.482 2.706 20 30 FFEDLO Cc1cc(C#N)ccc1CON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000185994311 984073830 /nfs/dbraw/zinc/07/38/30/984073830.db2.gz JFHVLECBVCFJQK-UHFFFAOYSA-N 1 2 364.449 2.536 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCN(C(=O)N(C)C)CC1(C)C)c1ccccc1 ZINC000878380490 1015017850 /nfs/dbraw/zinc/01/78/50/1015017850.db2.gz COBWXGWXUGXGHJ-NRFANRHFSA-N 1 2 370.497 2.505 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCN(C(=O)N(C)C)CC1(C)C)c1ccccc1 ZINC000878380490 1015017857 /nfs/dbraw/zinc/01/78/57/1015017857.db2.gz COBWXGWXUGXGHJ-NRFANRHFSA-N 1 2 370.497 2.505 20 30 FFEDLO N#C[C@@]1(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)CC2CCC1CC2 ZINC000913481230 984274528 /nfs/dbraw/zinc/27/45/28/984274528.db2.gz UJUFEICVLOOSRE-IAYYMHMVSA-N 1 2 353.466 2.756 20 30 FFEDLO O=C(C#CC1CC1)NC[C@]12CCC[C@H]1[N@H+](Cc1nnc(C3CC3)s1)CC2 ZINC001107399987 984507640 /nfs/dbraw/zinc/50/76/40/984507640.db2.gz ULLFLDXNKSWAGZ-OXQOHEQNSA-N 1 2 370.522 2.690 20 30 FFEDLO O=C(C#CC1CC1)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnc(C3CC3)s1)CC2 ZINC001107399987 984507646 /nfs/dbraw/zinc/50/76/46/984507646.db2.gz ULLFLDXNKSWAGZ-OXQOHEQNSA-N 1 2 370.522 2.690 20 30 FFEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]NCCc1ccccc1F ZINC000764724401 984661850 /nfs/dbraw/zinc/66/18/50/984661850.db2.gz WMPCAPFCJBCFQA-UHFFFAOYSA-N 1 2 363.396 2.790 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC/C=C/CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107545494 984663813 /nfs/dbraw/zinc/66/38/13/984663813.db2.gz GDWHFVUFJWUGSF-NCWIEVAOSA-N 1 2 356.470 2.728 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC/C=C\CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107545493 984663836 /nfs/dbraw/zinc/66/38/36/984663836.db2.gz GDWHFVUFJWUGSF-CJEFGCBOSA-N 1 2 356.470 2.728 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3oc(C(C)C)nc3C)C[C@H]2O)CC1 ZINC001077621356 984702511 /nfs/dbraw/zinc/70/25/11/984702511.db2.gz DODRLOUJMODUQS-IAGOWNOFSA-N 1 2 361.486 2.514 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3oc(C(C)C)nc3C)C[C@H]2O)CC1 ZINC001077621356 984702516 /nfs/dbraw/zinc/70/25/16/984702516.db2.gz DODRLOUJMODUQS-IAGOWNOFSA-N 1 2 361.486 2.514 20 30 FFEDLO NC(=[NH+]OCc1nc(-c2ccc(F)c(F)c2)no1)c1ccc2c(c1)CCO2 ZINC000158227259 984809980 /nfs/dbraw/zinc/80/99/80/984809980.db2.gz CMFAFUSCZKIEAD-UHFFFAOYSA-N 1 2 372.331 2.787 20 30 FFEDLO NC(=NOC/C=C/c1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000060197587 984879549 /nfs/dbraw/zinc/87/95/49/984879549.db2.gz KHXSLOPVYGALCW-QPJJXVBHSA-N 1 2 351.450 2.869 20 30 FFEDLO CC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001212182621 984880558 /nfs/dbraw/zinc/88/05/58/984880558.db2.gz JVJJQJJUORONKN-ATZDWAIDSA-N 1 2 362.901 2.943 20 30 FFEDLO CC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001212182621 984880585 /nfs/dbraw/zinc/88/05/85/984880585.db2.gz JVJJQJJUORONKN-ATZDWAIDSA-N 1 2 362.901 2.943 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2C(F)(F)F)[C@H]1C ZINC001088856958 985045933 /nfs/dbraw/zinc/04/59/33/985045933.db2.gz RSFAGOXVCIZKNY-ZJUUUORDSA-N 1 2 350.772 2.682 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2C(F)(F)F)[C@H]1C ZINC001088856958 985045947 /nfs/dbraw/zinc/04/59/47/985045947.db2.gz RSFAGOXVCIZKNY-ZJUUUORDSA-N 1 2 350.772 2.682 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3c2cc(F)cc3F)C[C@H]1OC ZINC001212187404 985140915 /nfs/dbraw/zinc/14/09/15/985140915.db2.gz RPVHEJMDXQGXCA-GUDVDZBRSA-N 1 2 362.420 2.571 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3c2cc(F)cc3F)C[C@H]1OC ZINC001212187404 985140919 /nfs/dbraw/zinc/14/09/19/985140919.db2.gz RPVHEJMDXQGXCA-GUDVDZBRSA-N 1 2 362.420 2.571 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(CC)cn2)[C@H]1C ZINC001088870916 985195750 /nfs/dbraw/zinc/19/57/50/985195750.db2.gz NHLSMJLPMVHXJQ-CJNGLKHVSA-N 1 2 366.303 2.674 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(CC)cn2)[C@H]1C ZINC001088870916 985195753 /nfs/dbraw/zinc/19/57/53/985195753.db2.gz NHLSMJLPMVHXJQ-CJNGLKHVSA-N 1 2 366.303 2.674 20 30 FFEDLO CC(C)c1nnsc1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088936208 985508391 /nfs/dbraw/zinc/50/83/91/985508391.db2.gz XVARZVQBZSVKCL-CJNGLKHVSA-N 1 2 369.494 2.926 20 30 FFEDLO CC(C)c1nnsc1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088936208 985508397 /nfs/dbraw/zinc/50/83/97/985508397.db2.gz XVARZVQBZSVKCL-CJNGLKHVSA-N 1 2 369.494 2.926 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3F)[C@@H]2C)nc1 ZINC001088988216 985778521 /nfs/dbraw/zinc/77/85/21/985778521.db2.gz KJGZBMFUTGWGQD-ACJLOTCBSA-N 1 2 355.388 2.734 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3F)[C@@H]2C)nc1 ZINC001088988216 985778538 /nfs/dbraw/zinc/77/85/38/985778538.db2.gz KJGZBMFUTGWGQD-ACJLOTCBSA-N 1 2 355.388 2.734 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001089034687 986041446 /nfs/dbraw/zinc/04/14/46/986041446.db2.gz JRUPAOZXOQDBHM-BZNIZROVSA-N 1 2 358.467 2.871 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001089034687 986041456 /nfs/dbraw/zinc/04/14/56/986041456.db2.gz JRUPAOZXOQDBHM-BZNIZROVSA-N 1 2 358.467 2.871 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1nc(C)cs1 ZINC001089229028 986622022 /nfs/dbraw/zinc/62/20/22/986622022.db2.gz VJJWYHXQOWKQPM-BBWFWOEESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1nc(C)cs1 ZINC001089229028 986622025 /nfs/dbraw/zinc/62/20/25/986622025.db2.gz VJJWYHXQOWKQPM-BBWFWOEESA-N 1 2 363.527 2.856 20 30 FFEDLO C#CC[C@H]([NH2+]Cc1nnc2n1c1ccccc1c(=O)n2CC)c1ccccc1 ZINC001168722839 988398810 /nfs/dbraw/zinc/39/88/10/988398810.db2.gz IOGKPBNCZDZIPZ-SFHVURJKSA-N 1 2 371.444 2.918 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108067135 988710528 /nfs/dbraw/zinc/71/05/28/988710528.db2.gz UHRDSHZOGVSETO-KNKQGSTJSA-N 1 2 369.509 2.948 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108067135 988710541 /nfs/dbraw/zinc/71/05/41/988710541.db2.gz UHRDSHZOGVSETO-KNKQGSTJSA-N 1 2 369.509 2.948 20 30 FFEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000922601718 988739244 /nfs/dbraw/zinc/73/92/44/988739244.db2.gz AUUMCMTUZWWBBH-RTBURBONSA-N 1 2 358.486 2.832 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)c(F)c1 ZINC001007912604 1015420244 /nfs/dbraw/zinc/42/02/44/1015420244.db2.gz MATKRDBDRNVSOB-DSKINZAPSA-N 1 2 371.456 2.737 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)c(F)c1 ZINC001007912604 1015420246 /nfs/dbraw/zinc/42/02/46/1015420246.db2.gz MATKRDBDRNVSOB-DSKINZAPSA-N 1 2 371.456 2.737 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C2=CCCC2)C1 ZINC000993637214 989319721 /nfs/dbraw/zinc/31/97/21/989319721.db2.gz YJPMKDCJUCKKIN-CBGDNZLLSA-N 1 2 370.497 2.543 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C=C2CCC2)C1 ZINC000993634663 989320850 /nfs/dbraw/zinc/32/08/50/989320850.db2.gz BSWAEAUPZVTART-LZJOCLMNSA-N 1 2 370.497 2.543 20 30 FFEDLO C[C@@H](C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000785473073 989669440 /nfs/dbraw/zinc/66/94/40/989669440.db2.gz CTUPHUSXGRIVKI-WMZOPIPTSA-N 1 2 358.486 2.782 20 30 FFEDLO Cc1ccc(C#N)c(NCCCC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001090168421 989837522 /nfs/dbraw/zinc/83/75/22/989837522.db2.gz CHUKPOYCYDSTMJ-IAOVAPTHSA-N 1 2 366.469 2.875 20 30 FFEDLO Cc1ccc(C#N)c(NCCCC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC001090168421 989837530 /nfs/dbraw/zinc/83/75/30/989837530.db2.gz CHUKPOYCYDSTMJ-IAOVAPTHSA-N 1 2 366.469 2.875 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC001033960755 989873415 /nfs/dbraw/zinc/87/34/15/989873415.db2.gz HWWXWSDVWSHZDI-KURKYZTESA-N 1 2 359.470 2.566 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC001033960755 989873420 /nfs/dbraw/zinc/87/34/20/989873420.db2.gz HWWXWSDVWSHZDI-KURKYZTESA-N 1 2 359.470 2.566 20 30 FFEDLO N#CC1CCC(Cn2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)CC1 ZINC000917022993 990095401 /nfs/dbraw/zinc/09/54/01/990095401.db2.gz CIQVWAYSJLHUMS-KVZIAJEVSA-N 1 2 366.469 2.577 20 30 FFEDLO N#CC1CCC(Cn2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)CC1 ZINC000917022993 990095408 /nfs/dbraw/zinc/09/54/08/990095408.db2.gz CIQVWAYSJLHUMS-KVZIAJEVSA-N 1 2 366.469 2.577 20 30 FFEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC001035549633 990503500 /nfs/dbraw/zinc/50/35/00/990503500.db2.gz QXLXKMANWCJSPI-DZFGPLHGSA-N 1 2 350.462 2.946 20 30 FFEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC001035549633 990503502 /nfs/dbraw/zinc/50/35/02/990503502.db2.gz QXLXKMANWCJSPI-DZFGPLHGSA-N 1 2 350.462 2.946 20 30 FFEDLO C[C@@H](Nc1ccc(C#N)cn1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001061889591 990514187 /nfs/dbraw/zinc/51/41/87/990514187.db2.gz IKOUOVKGJKSELQ-KBRIMQKVSA-N 1 2 364.453 2.519 20 30 FFEDLO C[C@@H](Nc1ccc(C#N)cn1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001061889591 990514191 /nfs/dbraw/zinc/51/41/91/990514191.db2.gz IKOUOVKGJKSELQ-KBRIMQKVSA-N 1 2 364.453 2.519 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001062262665 990693364 /nfs/dbraw/zinc/69/33/64/990693364.db2.gz CFQFISWGJHWBEN-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001062262665 990693370 /nfs/dbraw/zinc/69/33/70/990693370.db2.gz CFQFISWGJHWBEN-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO N#CCCn1cc(C[NH2+]Cc2noc3c2COCC3)c(-c2ccccc2)n1 ZINC000923015533 990794168 /nfs/dbraw/zinc/79/41/68/990794168.db2.gz RSPZOGCBQNOFQQ-UHFFFAOYSA-N 1 2 363.421 2.814 20 30 FFEDLO C=C(Br)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001089644693 991239872 /nfs/dbraw/zinc/23/98/72/991239872.db2.gz LHUONLQPXYIBRE-ZQIUZPCESA-N 1 2 371.319 2.538 20 30 FFEDLO C=C(Br)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001089644693 991239885 /nfs/dbraw/zinc/23/98/85/991239885.db2.gz LHUONLQPXYIBRE-ZQIUZPCESA-N 1 2 371.319 2.538 20 30 FFEDLO N#Cc1ccc(NCC[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1 ZINC001063303563 991438263 /nfs/dbraw/zinc/43/82/63/991438263.db2.gz SMJNZDHVGJHTRW-USXIJHARSA-N 1 2 364.453 2.521 20 30 FFEDLO N#Cc1ccc(NCC[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1 ZINC001063303563 991438267 /nfs/dbraw/zinc/43/82/67/991438267.db2.gz SMJNZDHVGJHTRW-USXIJHARSA-N 1 2 364.453 2.521 20 30 FFEDLO CCN(c1cccc(F)c1C#N)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001089749374 991513173 /nfs/dbraw/zinc/51/31/73/991513173.db2.gz XZKSZHZJIMVEAS-RBSFLKMASA-N 1 2 369.444 2.566 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@]2(C1)CCCN(c1cc[nH+]c(C)n1)C2 ZINC001064570406 991634248 /nfs/dbraw/zinc/63/42/48/991634248.db2.gz IZTIKTLYGQSPES-LVCYWYKZSA-N 1 2 370.497 2.585 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCCN(c1cc[nH+]c(C)n1)C2 ZINC001064570416 991634307 /nfs/dbraw/zinc/63/43/07/991634307.db2.gz JGUCRSAPGJDSTB-CUWPLCDZSA-N 1 2 370.497 2.585 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]21 ZINC001090321007 991710718 /nfs/dbraw/zinc/71/07/18/991710718.db2.gz RONQEYZWVGLOQB-YESZJQIVSA-N 1 2 358.486 2.537 20 30 FFEDLO Cc1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)nn1-c1cccc(C#N)c1 ZINC000444657332 991760660 /nfs/dbraw/zinc/76/06/60/991760660.db2.gz CCRICGDRDNWZJW-KRWDZBQOSA-N 1 2 374.448 2.806 20 30 FFEDLO COCC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001484824088 991765019 /nfs/dbraw/zinc/76/50/19/991765019.db2.gz NWNOCDKQUFDJAO-PWRODBHTSA-N 1 2 368.521 2.862 20 30 FFEDLO COCC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001484824088 991765028 /nfs/dbraw/zinc/76/50/28/991765028.db2.gz NWNOCDKQUFDJAO-PWRODBHTSA-N 1 2 368.521 2.862 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1c(Cl)cccc1OC ZINC001485351342 991915934 /nfs/dbraw/zinc/91/59/34/991915934.db2.gz DWQRJFWDVNXSRW-VBQJREDUSA-N 1 2 366.889 2.876 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1c(Cl)cccc1OC ZINC001485351342 991915945 /nfs/dbraw/zinc/91/59/45/991915945.db2.gz DWQRJFWDVNXSRW-VBQJREDUSA-N 1 2 366.889 2.876 20 30 FFEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001008597752 1015675549 /nfs/dbraw/zinc/67/55/49/1015675549.db2.gz JZSOBRJYPDEADL-NMLBUPMWSA-N 1 2 372.896 2.840 20 30 FFEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001008597752 1015675552 /nfs/dbraw/zinc/67/55/52/1015675552.db2.gz JZSOBRJYPDEADL-NMLBUPMWSA-N 1 2 372.896 2.840 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001079406875 992094507 /nfs/dbraw/zinc/09/45/07/992094507.db2.gz BXWXDLUUPNOFKE-PIGZYNQJSA-N 1 2 356.401 2.553 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001079406875 992094514 /nfs/dbraw/zinc/09/45/14/992094514.db2.gz BXWXDLUUPNOFKE-PIGZYNQJSA-N 1 2 356.401 2.553 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001079409149 992099494 /nfs/dbraw/zinc/09/94/94/992099494.db2.gz XDBACJRMFCYFMA-PIGZYNQJSA-N 1 2 356.401 2.553 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001079409149 992099505 /nfs/dbraw/zinc/09/95/05/992099505.db2.gz XDBACJRMFCYFMA-PIGZYNQJSA-N 1 2 356.401 2.553 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1nc(C3CC3)cs1)C2 ZINC001276486490 1032123551 /nfs/dbraw/zinc/12/35/51/1032123551.db2.gz ONKQZPDUDXWLQZ-LJQANCHMSA-N 1 2 361.511 2.648 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1nc(C3CC3)cs1)C2 ZINC001276486490 1032123556 /nfs/dbraw/zinc/12/35/56/1032123556.db2.gz ONKQZPDUDXWLQZ-LJQANCHMSA-N 1 2 361.511 2.648 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001032040503 992737544 /nfs/dbraw/zinc/73/75/44/992737544.db2.gz GMZYZHUMAHJNHF-SFTDATJTSA-N 1 2 370.468 2.597 20 30 FFEDLO C=C1CCC(C(=O)N(CC)[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000942955846 992852625 /nfs/dbraw/zinc/85/26/25/992852625.db2.gz XCSAXNZSMABXKP-RCCFBDPRSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C1CCC(C(=O)N(CC)[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000942955846 992852629 /nfs/dbraw/zinc/85/26/29/992852629.db2.gz XCSAXNZSMABXKP-RCCFBDPRSA-N 1 2 370.497 2.709 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1cc(Cl)no1 ZINC001080824003 993398303 /nfs/dbraw/zinc/39/83/03/993398303.db2.gz SXTCEBVWUBTDJM-QMTHXVAHSA-N 1 2 362.792 2.589 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1cc(Cl)no1 ZINC001080824003 993398306 /nfs/dbraw/zinc/39/83/06/993398306.db2.gz SXTCEBVWUBTDJM-QMTHXVAHSA-N 1 2 362.792 2.589 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OCC)c(OC)c2)C1 ZINC001080924552 993481443 /nfs/dbraw/zinc/48/14/43/993481443.db2.gz BHSYPOLLQYFAFQ-IUODEOHRSA-N 1 2 352.862 2.897 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OCC)c(OC)c2)C1 ZINC001080924552 993481445 /nfs/dbraw/zinc/48/14/45/993481445.db2.gz BHSYPOLLQYFAFQ-IUODEOHRSA-N 1 2 352.862 2.897 20 30 FFEDLO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]2C)cc1 ZINC001081011212 993534463 /nfs/dbraw/zinc/53/44/63/993534463.db2.gz NHRREELQZAACPD-FOIQADDNSA-N 1 2 369.465 2.727 20 30 FFEDLO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+](Cc3coc(C)n3)C[C@H]2C)cc1 ZINC001081011212 993534467 /nfs/dbraw/zinc/53/44/67/993534467.db2.gz NHRREELQZAACPD-FOIQADDNSA-N 1 2 369.465 2.727 20 30 FFEDLO CO[C@]1(C(F)(F)F)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000880302680 1015801836 /nfs/dbraw/zinc/80/18/36/1015801836.db2.gz ALBFGJSNDVHREE-RHSMWYFYSA-N 1 2 369.387 2.975 20 30 FFEDLO CO[C@]1(C(F)(F)F)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000880302680 1015801844 /nfs/dbraw/zinc/80/18/44/1015801844.db2.gz ALBFGJSNDVHREE-RHSMWYFYSA-N 1 2 369.387 2.975 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1ccccc1C ZINC001081301594 993793146 /nfs/dbraw/zinc/79/31/46/993793146.db2.gz WKGOUBITHAJKDV-WOJBJXKFSA-N 1 2 367.424 2.635 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1ccccc1C ZINC001081301594 993793154 /nfs/dbraw/zinc/79/31/54/993793154.db2.gz WKGOUBITHAJKDV-WOJBJXKFSA-N 1 2 367.424 2.635 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)C1=CCCC1 ZINC001081527258 993870146 /nfs/dbraw/zinc/87/01/46/993870146.db2.gz QGNOYDCZJSIZOS-RTBURBONSA-N 1 2 358.869 2.617 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)C1=CCCC1 ZINC001081527258 993870151 /nfs/dbraw/zinc/87/01/51/993870151.db2.gz QGNOYDCZJSIZOS-RTBURBONSA-N 1 2 358.869 2.617 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C1=CCCCCC1 ZINC001081591161 993899423 /nfs/dbraw/zinc/89/94/23/993899423.db2.gz GKKSKVLJTJCYJU-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C1=CCCCCC1 ZINC001081591161 993899436 /nfs/dbraw/zinc/89/94/36/993899436.db2.gz GKKSKVLJTJCYJU-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CCCC2(CC2)C1 ZINC001081662156 993916864 /nfs/dbraw/zinc/91/68/64/993916864.db2.gz OXSLDDAYJWMROI-PWIZWCRZSA-N 1 2 367.493 2.844 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CCCC2(CC2)C1 ZINC001081662156 993916872 /nfs/dbraw/zinc/91/68/72/993916872.db2.gz OXSLDDAYJWMROI-PWIZWCRZSA-N 1 2 367.493 2.844 20 30 FFEDLO C#CC[C@]1(C(=O)OCCCn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000808597569 994184456 /nfs/dbraw/zinc/18/44/56/994184456.db2.gz UFFJRXRPIRGQRY-LJQANCHMSA-N 1 2 361.442 2.609 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001082152539 994212974 /nfs/dbraw/zinc/21/29/74/994212974.db2.gz RCHKIYGZXMCPOZ-UAFMIMERSA-N 1 2 355.482 2.556 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001082152539 994212986 /nfs/dbraw/zinc/21/29/86/994212986.db2.gz RCHKIYGZXMCPOZ-UAFMIMERSA-N 1 2 355.482 2.556 20 30 FFEDLO C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(F)(F)C(F)F)CC1 ZINC001131448904 994256365 /nfs/dbraw/zinc/25/63/65/994256365.db2.gz WPWSRSRXSFOAPB-HIFRSBDPSA-N 1 2 366.399 2.839 20 30 FFEDLO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@@H](C)[NH+]1CC(=O)NCCC#N ZINC000808798627 994271334 /nfs/dbraw/zinc/27/13/34/994271334.db2.gz PXWOQADBZRHNKZ-ZIAGYGMSSA-N 1 2 368.403 2.634 20 30 FFEDLO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[N@H+]1CC(=O)NCCC#N ZINC000808798626 994271875 /nfs/dbraw/zinc/27/18/75/994271875.db2.gz PXWOQADBZRHNKZ-OKILXGFUSA-N 1 2 368.403 2.634 20 30 FFEDLO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[N@@H+]1CC(=O)NCCC#N ZINC000808798626 994271885 /nfs/dbraw/zinc/27/18/85/994271885.db2.gz PXWOQADBZRHNKZ-OKILXGFUSA-N 1 2 368.403 2.634 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1(F)CCCCC1 ZINC001082299428 994344462 /nfs/dbraw/zinc/34/44/62/994344462.db2.gz XUJCLQIRUXLAOS-RTBURBONSA-N 1 2 358.457 2.526 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1(F)CCCCC1 ZINC001082299428 994344473 /nfs/dbraw/zinc/34/44/73/994344473.db2.gz XUJCLQIRUXLAOS-RTBURBONSA-N 1 2 358.457 2.526 20 30 FFEDLO CN(C)Cc1cnc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000809543152 994536780 /nfs/dbraw/zinc/53/67/80/994536780.db2.gz OSXYHFPAJDHCQL-UHFFFAOYSA-N 1 2 369.538 2.784 20 30 FFEDLO CN(C)Cc1cnc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000809543152 994536789 /nfs/dbraw/zinc/53/67/89/994536789.db2.gz OSXYHFPAJDHCQL-UHFFFAOYSA-N 1 2 369.538 2.784 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)NC[C@H](c2ccccc2)C(C)C)cc1 ZINC000809994492 994661519 /nfs/dbraw/zinc/66/15/19/994661519.db2.gz ZNCKPXFRGVCGPJ-IBGZPJMESA-N 1 2 369.465 2.888 20 30 FFEDLO CC[C@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1cccc(C#N)c1O ZINC000903423949 1015881185 /nfs/dbraw/zinc/88/11/85/1015881185.db2.gz JCFPYJOXJFYCJS-SFHVURJKSA-N 1 2 373.478 2.901 20 30 FFEDLO CC[C@@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1cccc(C#N)c1O ZINC000903423948 1015881255 /nfs/dbraw/zinc/88/12/55/1015881255.db2.gz JCFPYJOXJFYCJS-GOSISDBHSA-N 1 2 373.478 2.901 20 30 FFEDLO Cc1nsc(N2CC[NH+](CCC(=O)OCc3ccccc3)CC2)c1C#N ZINC000810065395 994696964 /nfs/dbraw/zinc/69/69/64/994696964.db2.gz SZRZIQQRCODRPS-UHFFFAOYSA-N 1 2 370.478 2.579 20 30 FFEDLO CCn1nc(C)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001097909006 1015893132 /nfs/dbraw/zinc/89/31/32/1015893132.db2.gz GAEKPGCREGMJFQ-XYPHTWIQSA-N 1 2 369.494 2.680 20 30 FFEDLO CCn1nc(C)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001097909006 1015893146 /nfs/dbraw/zinc/89/31/46/1015893146.db2.gz GAEKPGCREGMJFQ-XYPHTWIQSA-N 1 2 369.494 2.680 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1COC2(C[NH+](Cc3ccccc3)C2)C1 ZINC001053951668 1015913597 /nfs/dbraw/zinc/91/35/97/1015913597.db2.gz CGSCEVTVAKOVCG-UFYCRDLUSA-N 1 2 370.493 2.517 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)c1ccnnc1 ZINC001097918695 1015913883 /nfs/dbraw/zinc/91/38/83/1015913883.db2.gz ZIDXQVVXSVOWHY-QRVBRYPASA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)c1ccnnc1 ZINC001097918695 1015913894 /nfs/dbraw/zinc/91/38/94/1015913894.db2.gz ZIDXQVVXSVOWHY-QRVBRYPASA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)c1ccnnc1 ZINC001097915121 1015918273 /nfs/dbraw/zinc/91/82/73/1015918273.db2.gz WHDHSJJXVSHRSP-QRVBRYPASA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)c1ccnnc1 ZINC001097915121 1015918278 /nfs/dbraw/zinc/91/82/78/1015918278.db2.gz WHDHSJJXVSHRSP-QRVBRYPASA-N 1 2 366.852 2.517 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(Cc3ccccc3)no2)C1 ZINC001082683429 995272995 /nfs/dbraw/zinc/27/29/95/995272995.db2.gz IAPIRFVASZBUEA-NVXWUHKLSA-N 1 2 368.481 2.809 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC001082722124 995355235 /nfs/dbraw/zinc/35/52/35/995355235.db2.gz YXFAUOXXWBEZRM-HGHGUNKESA-N 1 2 367.497 2.806 20 30 FFEDLO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cc(-c3cccs3)[nH]n2)C[C@H]1C ZINC001082756735 995419340 /nfs/dbraw/zinc/41/93/40/995419340.db2.gz FFZXDKOFNLMBBQ-QMTHXVAHSA-N 1 2 350.875 2.941 20 30 FFEDLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@H]1COC(=O)/C=C\c1ccccc1C#N ZINC000747795327 995467326 /nfs/dbraw/zinc/46/73/26/995467326.db2.gz KXFCLVXQMFZGIA-LENZSSGSSA-N 1 2 370.449 2.921 20 30 FFEDLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@H]1COC(=O)/C=C\c1ccccc1C#N ZINC000747795327 995467339 /nfs/dbraw/zinc/46/73/39/995467339.db2.gz KXFCLVXQMFZGIA-LENZSSGSSA-N 1 2 370.449 2.921 20 30 FFEDLO C#CCNC(=O)C1CC[NH+](Cn2cc(-c3ccccc3)n(C)c2=S)CC1 ZINC000747796093 995476724 /nfs/dbraw/zinc/47/67/24/995476724.db2.gz MAXNNZWMNQNEMK-UHFFFAOYSA-N 1 2 368.506 2.642 20 30 FFEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000812839030 995549004 /nfs/dbraw/zinc/54/90/04/995549004.db2.gz DKVNMSOTTNRTLO-ZDUSSCGKSA-N 1 2 370.375 2.784 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001096523410 1015973371 /nfs/dbraw/zinc/97/33/71/1015973371.db2.gz YTOVLAMBLMPPGJ-SQNIBIBYSA-N 1 2 364.449 2.952 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001096523410 1015973375 /nfs/dbraw/zinc/97/33/75/1015973375.db2.gz YTOVLAMBLMPPGJ-SQNIBIBYSA-N 1 2 364.449 2.952 20 30 FFEDLO O=C(/C=C\C1CC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001083033062 996030649 /nfs/dbraw/zinc/03/06/49/996030649.db2.gz BTOWUZGQHXLMEO-RKLIJYKOSA-N 1 2 370.880 2.569 20 30 FFEDLO O=C(/C=C\C1CC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001083033062 996030652 /nfs/dbraw/zinc/03/06/52/996030652.db2.gz BTOWUZGQHXLMEO-RKLIJYKOSA-N 1 2 370.880 2.569 20 30 FFEDLO Cc1noc(C)c1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084180967 996311321 /nfs/dbraw/zinc/31/13/21/996311321.db2.gz VWNHBTHFGYMWCA-CZUORRHYSA-N 1 2 356.451 2.571 20 30 FFEDLO Cc1noc(C)c1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084180967 996311325 /nfs/dbraw/zinc/31/13/25/996311325.db2.gz VWNHBTHFGYMWCA-CZUORRHYSA-N 1 2 356.451 2.571 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[C@H]4CCOC4)[C@@H]3C2)c1 ZINC001084268416 996413392 /nfs/dbraw/zinc/41/33/92/996413392.db2.gz PVXPCIDJMQRLMU-XAUMDUMWSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)CC[C@H]4CCOC4)[C@@H]3C2)c1 ZINC001084268416 996413398 /nfs/dbraw/zinc/41/33/98/996413398.db2.gz PVXPCIDJMQRLMU-XAUMDUMWSA-N 1 2 371.456 2.547 20 30 FFEDLO Cc1cnccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084328337 996458274 /nfs/dbraw/zinc/45/82/74/996458274.db2.gz WSVRJYXUJJWIFM-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cnccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084328337 996458277 /nfs/dbraw/zinc/45/82/77/996458277.db2.gz WSVRJYXUJJWIFM-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C)n(C)n3)C[C@H]21 ZINC001084372790 996498620 /nfs/dbraw/zinc/49/86/20/996498620.db2.gz GYQWTKLQZTZPDJ-GDBMZVCRSA-N 1 2 350.894 2.540 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C)n(C)n3)C[C@H]21 ZINC001084372790 996498623 /nfs/dbraw/zinc/49/86/23/996498623.db2.gz GYQWTKLQZTZPDJ-GDBMZVCRSA-N 1 2 350.894 2.540 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COc4cc(F)ccc4C3)[C@@H]2C1 ZINC001084343676 996512957 /nfs/dbraw/zinc/51/29/57/996512957.db2.gz WRGPAPVFMVMXMR-HLLBOEOZSA-N 1 2 364.848 2.662 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COc4cc(F)ccc4C3)[C@@H]2C1 ZINC001084343676 996512958 /nfs/dbraw/zinc/51/29/58/996512958.db2.gz WRGPAPVFMVMXMR-HLLBOEOZSA-N 1 2 364.848 2.662 20 30 FFEDLO O=C(c1ccc2cc[nH]c2n1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084426304 996526043 /nfs/dbraw/zinc/52/60/43/996526043.db2.gz ZOEIUXSDOXSGCI-TZIWHRDSSA-N 1 2 370.456 2.761 20 30 FFEDLO O=C(c1ccc2cc[nH]c2n1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084426304 996526047 /nfs/dbraw/zinc/52/60/47/996526047.db2.gz ZOEIUXSDOXSGCI-TZIWHRDSSA-N 1 2 370.456 2.761 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)oc3C)C[C@H]21 ZINC001084409079 996553353 /nfs/dbraw/zinc/55/33/53/996553353.db2.gz IFGOJQDXOTVWGH-VQIMIIECSA-N 1 2 354.454 2.625 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)oc3C)C[C@H]21 ZINC001084409079 996553358 /nfs/dbraw/zinc/55/33/58/996553358.db2.gz IFGOJQDXOTVWGH-VQIMIIECSA-N 1 2 354.454 2.625 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccsn4)[C@@H]3C2)c(F)c1 ZINC001084439485 996591675 /nfs/dbraw/zinc/59/16/75/996591675.db2.gz IWXKCJPXTKXUEV-RHSMWYFYSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccsn4)[C@@H]3C2)c(F)c1 ZINC001084439485 996591677 /nfs/dbraw/zinc/59/16/77/996591677.db2.gz IWXKCJPXTKXUEV-RHSMWYFYSA-N 1 2 356.426 2.500 20 30 FFEDLO Cc1coc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)c1 ZINC001084594330 996713577 /nfs/dbraw/zinc/71/35/77/996713577.db2.gz DFGJTYFJYPTLLX-CRAIPNDOSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1coc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)c1 ZINC001084594330 996713583 /nfs/dbraw/zinc/71/35/83/996713583.db2.gz DFGJTYFJYPTLLX-CRAIPNDOSA-N 1 2 353.397 2.945 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c(C)noc3C)[C@@H]2C1 ZINC001084597362 996716524 /nfs/dbraw/zinc/71/65/24/996716524.db2.gz JUAJCJWAJOIFFJ-HUUCEWRRSA-N 1 2 351.878 2.854 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c(C)noc3C)[C@@H]2C1 ZINC001084597362 996716528 /nfs/dbraw/zinc/71/65/28/996716528.db2.gz JUAJCJWAJOIFFJ-HUUCEWRRSA-N 1 2 351.878 2.854 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC001084630800 996736479 /nfs/dbraw/zinc/73/64/79/996736479.db2.gz VWFPSZCHPAKGEB-BLIXFSHQSA-N 1 2 361.530 2.570 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC001084630800 996736483 /nfs/dbraw/zinc/73/64/83/996736483.db2.gz VWFPSZCHPAKGEB-BLIXFSHQSA-N 1 2 361.530 2.570 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]21 ZINC001084672895 996825648 /nfs/dbraw/zinc/82/56/48/996825648.db2.gz TXHRQZXJNAIXHC-RGCFKVTRSA-N 1 2 362.420 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C[C@H]21 ZINC001084672895 996825659 /nfs/dbraw/zinc/82/56/59/996825659.db2.gz TXHRQZXJNAIXHC-RGCFKVTRSA-N 1 2 362.420 2.589 20 30 FFEDLO C#CCOc1ccccc1C[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000730260928 997026657 /nfs/dbraw/zinc/02/66/57/997026657.db2.gz NXHRCOLNQBXRPP-UHFFFAOYSA-N 1 2 366.417 2.540 20 30 FFEDLO C#CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000730260928 997026667 /nfs/dbraw/zinc/02/66/67/997026667.db2.gz NXHRCOLNQBXRPP-UHFFFAOYSA-N 1 2 366.417 2.540 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cccc4)nc3)[C@@H]2C1 ZINC001084728490 997096985 /nfs/dbraw/zinc/09/69/85/997096985.db2.gz JTIMXPZLWFIYSV-IAGOWNOFSA-N 1 2 356.857 2.771 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cccc4)nc3)[C@@H]2C1 ZINC001084728490 997096997 /nfs/dbraw/zinc/09/69/97/997096997.db2.gz JTIMXPZLWFIYSV-IAGOWNOFSA-N 1 2 356.857 2.771 20 30 FFEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000128766521 1016098852 /nfs/dbraw/zinc/09/88/52/1016098852.db2.gz SZFGDPHFLYGTTD-UHFFFAOYSA-N 1 2 352.409 2.796 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)Nc2nc3cc(C#N)ccc3[nH]2)cc1 ZINC000825339816 997327141 /nfs/dbraw/zinc/32/71/41/997327141.db2.gz LGIWEQFUIGDXFN-SFHVURJKSA-N 1 2 361.405 2.656 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)Nc2nc3cc(C#N)ccc3[nH]2)cc1 ZINC000825339816 997327149 /nfs/dbraw/zinc/32/71/49/997327149.db2.gz LGIWEQFUIGDXFN-SFHVURJKSA-N 1 2 361.405 2.656 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccc(F)c(F)c3)[C@@H]2C1 ZINC001084869505 997729676 /nfs/dbraw/zinc/72/96/76/997729676.db2.gz PKFQFXSJXVGEAZ-MLGOLLRUSA-N 1 2 356.800 2.629 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc(F)c(F)c3)[C@@H]2C1 ZINC001084869505 997729686 /nfs/dbraw/zinc/72/96/86/997729686.db2.gz PKFQFXSJXVGEAZ-MLGOLLRUSA-N 1 2 356.800 2.629 20 30 FFEDLO C[C@H](c1c(F)cccc1F)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001206095776 1032141063 /nfs/dbraw/zinc/14/10/63/1032141063.db2.gz FIEYRYZXVCYNST-LALPHHSUSA-N 1 2 353.438 2.719 20 30 FFEDLO C[C@H](c1c(F)cccc1F)[N@H+]1C[C@@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001206095776 1032141068 /nfs/dbraw/zinc/14/10/68/1032141068.db2.gz FIEYRYZXVCYNST-LALPHHSUSA-N 1 2 353.438 2.719 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1OC ZINC001090918151 997764770 /nfs/dbraw/zinc/76/47/70/997764770.db2.gz IAJOYNAYPXOXJX-HZPDHXFCSA-N 1 2 358.486 2.585 20 30 FFEDLO CCc1cc(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)s4)[C@H]3C2)n[nH]1 ZINC001084893043 997916771 /nfs/dbraw/zinc/91/67/71/997916771.db2.gz DXOUOPSMPSFTHD-ACJLOTCBSA-N 1 2 369.494 2.642 20 30 FFEDLO CCc1cc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)[C@H]3C2)n[nH]1 ZINC001084893043 997916783 /nfs/dbraw/zinc/91/67/83/997916783.db2.gz DXOUOPSMPSFTHD-ACJLOTCBSA-N 1 2 369.494 2.642 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2cncc(C#N)c2)Cc2c1cnn2CC1CC1 ZINC001144074831 997991375 /nfs/dbraw/zinc/99/13/75/997991375.db2.gz FZBXNSYRPSUBCD-GOSISDBHSA-N 1 2 351.454 2.696 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2cncc(C#N)c2)Cc2c1cnn2CC1CC1 ZINC001144074831 997991379 /nfs/dbraw/zinc/99/13/79/997991379.db2.gz FZBXNSYRPSUBCD-GOSISDBHSA-N 1 2 351.454 2.696 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001056682492 1016184866 /nfs/dbraw/zinc/18/48/66/1016184866.db2.gz BKDRNJDCPHQDOB-BVIKNXMNSA-N 1 2 370.497 2.565 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001056682492 1016184869 /nfs/dbraw/zinc/18/48/69/1016184869.db2.gz BKDRNJDCPHQDOB-BVIKNXMNSA-N 1 2 370.497 2.565 20 30 FFEDLO Cc1ccn(C[NH+]2CCC(CCNC(=O)OC(C)(C)C)CC2)c(=O)c1C#N ZINC000844752785 998121822 /nfs/dbraw/zinc/12/18/22/998121822.db2.gz PFQSZZTXYYYEAQ-UHFFFAOYSA-N 1 2 374.485 2.613 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nccn3C)[C@H]2C1 ZINC001084949032 998272324 /nfs/dbraw/zinc/27/23/24/998272324.db2.gz RWXOTKMQZJEWJD-CABCVRRESA-N 1 2 350.894 2.622 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nccn3C)[C@H]2C1 ZINC001084949032 998272334 /nfs/dbraw/zinc/27/23/34/998272334.db2.gz RWXOTKMQZJEWJD-CABCVRRESA-N 1 2 350.894 2.622 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nccc(C)n3)[C@H]2C1 ZINC001084949096 998272860 /nfs/dbraw/zinc/27/28/60/998272860.db2.gz WUWJPVUYVGWFEB-CVEARBPZSA-N 1 2 362.905 2.987 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nccc(C)n3)[C@H]2C1 ZINC001084949096 998272871 /nfs/dbraw/zinc/27/28/71/998272871.db2.gz WUWJPVUYVGWFEB-CVEARBPZSA-N 1 2 362.905 2.987 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(F)c[nH]3)C[C@@H]21 ZINC001084991479 998570794 /nfs/dbraw/zinc/57/07/94/998570794.db2.gz HMLNXGQPLZESOH-YJYMSZOUSA-N 1 2 370.403 2.901 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(F)c[nH]3)C[C@@H]21 ZINC001084991479 998570810 /nfs/dbraw/zinc/57/08/10/998570810.db2.gz HMLNXGQPLZESOH-YJYMSZOUSA-N 1 2 370.403 2.901 20 30 FFEDLO N#CCCN(Cc1ccccn1)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001144537114 998635952 /nfs/dbraw/zinc/63/59/52/998635952.db2.gz HASZYGRWVNZDMN-UHFFFAOYSA-N 1 2 374.448 2.946 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc(C5CC5)o4)[C@H]3C2)C1 ZINC001085027077 998711777 /nfs/dbraw/zinc/71/17/77/998711777.db2.gz KJJGIPAUVVFUSC-ZBFHGGJFSA-N 1 2 356.470 2.726 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(C5CC5)o4)[C@H]3C2)C1 ZINC001085027077 998711779 /nfs/dbraw/zinc/71/17/79/998711779.db2.gz KJJGIPAUVVFUSC-ZBFHGGJFSA-N 1 2 356.470 2.726 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085600959 999583481 /nfs/dbraw/zinc/58/34/81/999583481.db2.gz IPFMBUADRFVHCW-HKBOAZHASA-N 1 2 354.494 2.632 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085600959 999583485 /nfs/dbraw/zinc/58/34/85/999583485.db2.gz IPFMBUADRFVHCW-HKBOAZHASA-N 1 2 354.494 2.632 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001085650117 999602353 /nfs/dbraw/zinc/60/23/53/999602353.db2.gz IDGOEZYIOVBINK-HOJAQTOUSA-N 1 2 358.457 2.525 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001085650117 999602356 /nfs/dbraw/zinc/60/23/56/999602356.db2.gz IDGOEZYIOVBINK-HOJAQTOUSA-N 1 2 358.457 2.525 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCc2ccc(O)cc2C1 ZINC000738324964 999625223 /nfs/dbraw/zinc/62/52/23/999625223.db2.gz YCMCODCNBIUAQI-SFHVURJKSA-N 1 2 370.412 2.988 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000738324964 999625224 /nfs/dbraw/zinc/62/52/24/999625224.db2.gz YCMCODCNBIUAQI-SFHVURJKSA-N 1 2 370.412 2.988 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085869054 999666263 /nfs/dbraw/zinc/66/62/63/999666263.db2.gz GWXRYINGRVJABD-JLSDUUJJSA-N 1 2 359.495 2.634 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085869054 999666264 /nfs/dbraw/zinc/66/62/64/999666264.db2.gz GWXRYINGRVJABD-JLSDUUJJSA-N 1 2 359.495 2.634 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2csc(Nc3ccc(OC)cc3)n2)CC1 ZINC000743319362 999811948 /nfs/dbraw/zinc/81/19/48/999811948.db2.gz JYKPOXDSWQQHPT-UHFFFAOYSA-N 1 2 370.478 2.676 20 30 FFEDLO N#Cc1ccc(NC[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)nc1 ZINC001066451735 999819502 /nfs/dbraw/zinc/81/95/02/999819502.db2.gz NMGXEWBJQJOFFM-MWQQHZPXSA-N 1 2 364.453 2.567 20 30 FFEDLO N#Cc1ccc(NC[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)nc1 ZINC001066451735 999819503 /nfs/dbraw/zinc/81/95/03/999819503.db2.gz NMGXEWBJQJOFFM-MWQQHZPXSA-N 1 2 364.453 2.567 20 30 FFEDLO C#CC[N@@H+](Cn1nnc(-c2ccc(OC)c(OC)c2)n1)C1CCCCC1 ZINC000744151460 999845297 /nfs/dbraw/zinc/84/52/97/999845297.db2.gz CSOLSSRJBWYLCA-UHFFFAOYSA-N 1 2 355.442 2.583 20 30 FFEDLO C#CC[N@H+](Cn1nnc(-c2ccc(OC)c(OC)c2)n1)C1CCCCC1 ZINC000744151460 999845299 /nfs/dbraw/zinc/84/52/99/999845299.db2.gz CSOLSSRJBWYLCA-UHFFFAOYSA-N 1 2 355.442 2.583 20 30 FFEDLO COCCCn1c(N[NH+]=C(C)c2ccc(N)cc2)nc2ccccc2c1=O ZINC000744780666 999873311 /nfs/dbraw/zinc/87/33/11/999873311.db2.gz QUFKPSBFCDWXMC-UHFFFAOYSA-N 1 2 365.437 2.851 20 30 FFEDLO C=CCOc1ccc(/C=C\C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000767416202 1000112810 /nfs/dbraw/zinc/11/28/10/1000112810.db2.gz YNXSYXOQGQVEMY-XXVABXFQSA-N 1 2 373.449 2.680 20 30 FFEDLO C=CCOc1ccc(/C=C\C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000767416202 1000112811 /nfs/dbraw/zinc/11/28/11/1000112811.db2.gz YNXSYXOQGQVEMY-XXVABXFQSA-N 1 2 373.449 2.680 20 30 FFEDLO CCO[C@H](CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109012117 1000150488 /nfs/dbraw/zinc/15/04/88/1000150488.db2.gz VSZMYSNBMFPVEB-XGXHKWSGSA-N 1 2 359.445 2.734 20 30 FFEDLO CCO[C@H](CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109012117 1000150490 /nfs/dbraw/zinc/15/04/90/1000150490.db2.gz VSZMYSNBMFPVEB-XGXHKWSGSA-N 1 2 359.445 2.734 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109019657 1000153953 /nfs/dbraw/zinc/15/39/53/1000153953.db2.gz JDRMHRLSAVRCTN-LDTOTXGLSA-N 1 2 355.482 2.841 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109019657 1000153955 /nfs/dbraw/zinc/15/39/55/1000153955.db2.gz JDRMHRLSAVRCTN-LDTOTXGLSA-N 1 2 355.482 2.841 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC001109206216 1000185910 /nfs/dbraw/zinc/18/59/10/1000185910.db2.gz MCZKMCSICFLREO-VLQPXKRTSA-N 1 2 371.456 2.678 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC001109206216 1000185912 /nfs/dbraw/zinc/18/59/12/1000185912.db2.gz MCZKMCSICFLREO-VLQPXKRTSA-N 1 2 371.456 2.678 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1F ZINC001109212724 1000188042 /nfs/dbraw/zinc/18/80/42/1000188042.db2.gz HEUIUGJCFKROPC-WMEZAQDKSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1F ZINC001109212724 1000188044 /nfs/dbraw/zinc/18/80/44/1000188044.db2.gz HEUIUGJCFKROPC-WMEZAQDKSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(O)ccc1Cl ZINC001109213887 1000188850 /nfs/dbraw/zinc/18/88/50/1000188850.db2.gz VTJZDWMEQXCBCK-DOEAQHAXSA-N 1 2 364.873 2.594 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(O)ccc1Cl ZINC001109213887 1000188853 /nfs/dbraw/zinc/18/88/53/1000188853.db2.gz VTJZDWMEQXCBCK-DOEAQHAXSA-N 1 2 364.873 2.594 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1Cl ZINC001109266944 1000207954 /nfs/dbraw/zinc/20/79/54/1000207954.db2.gz JGRCFYGXUGAHMB-ZYUBPSHWSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1Cl ZINC001109266944 1000207960 /nfs/dbraw/zinc/20/79/60/1000207960.db2.gz JGRCFYGXUGAHMB-ZYUBPSHWSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)c1F ZINC001109267566 1000209356 /nfs/dbraw/zinc/20/93/56/1000209356.db2.gz PXJXAAAGVAIJCA-YVVXQTMVSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)c1F ZINC001109267566 1000209364 /nfs/dbraw/zinc/20/93/64/1000209364.db2.gz PXJXAAAGVAIJCA-YVVXQTMVSA-N 1 2 364.848 2.739 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1)C1CC1 ZINC001109294230 1000240591 /nfs/dbraw/zinc/24/05/91/1000240591.db2.gz ODBKOJUPHWUVQZ-BTHPGYMESA-N 1 2 371.456 2.734 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1)C1CC1 ZINC001109294230 1000240596 /nfs/dbraw/zinc/24/05/96/1000240596.db2.gz ODBKOJUPHWUVQZ-BTHPGYMESA-N 1 2 371.456 2.734 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)[C@H]2C1 ZINC001091214867 1000278135 /nfs/dbraw/zinc/27/81/35/1000278135.db2.gz JNOWZUZNKGCGQW-WMZOPIPTSA-N 1 2 370.497 2.682 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)c1ccco1 ZINC001109343240 1000290739 /nfs/dbraw/zinc/29/07/39/1000290739.db2.gz PFYWDAHZUMATJQ-NCOADZHNSA-N 1 2 373.497 2.781 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)c1ccco1 ZINC001109343240 1000290745 /nfs/dbraw/zinc/29/07/45/1000290745.db2.gz PFYWDAHZUMATJQ-NCOADZHNSA-N 1 2 373.497 2.781 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C)OCC ZINC001109361270 1000311338 /nfs/dbraw/zinc/31/13/38/1000311338.db2.gz QHXZDUZRGBWSGG-NEPXVJNWSA-N 1 2 361.486 2.884 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C)OCC ZINC001109361270 1000311341 /nfs/dbraw/zinc/31/13/41/1000311341.db2.gz QHXZDUZRGBWSGG-NEPXVJNWSA-N 1 2 361.486 2.884 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(C#N)nc1)n1cc[nH+]c1 ZINC001091295522 1000379682 /nfs/dbraw/zinc/37/96/82/1000379682.db2.gz AFXIPPZDGWACCU-BMGDILEWSA-N 1 2 352.442 2.640 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)nn1 ZINC000846812260 1000447408 /nfs/dbraw/zinc/44/74/08/1000447408.db2.gz UIMXOFLMXNYBFX-NVXWUHKLSA-N 1 2 363.506 2.979 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)nn1 ZINC000846812260 1000447411 /nfs/dbraw/zinc/44/74/11/1000447411.db2.gz UIMXOFLMXNYBFX-NVXWUHKLSA-N 1 2 363.506 2.979 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)nn1 ZINC000846845046 1000457376 /nfs/dbraw/zinc/45/73/76/1000457376.db2.gz SKZCGYSFEPMAFX-HNNXBMFYSA-N 1 2 373.476 2.805 20 30 FFEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000846985789 1000505055 /nfs/dbraw/zinc/50/50/55/1000505055.db2.gz HHAXMCJXFGKNQF-CABCVRRESA-N 1 2 368.437 2.818 20 30 FFEDLO CC(=[NH+]Nc1nc2c(cnn2C)c(=O)[nH]1)c1ccc(N2CCCCC2)cc1 ZINC000769820091 1000599725 /nfs/dbraw/zinc/59/97/25/1000599725.db2.gz WQZQAMPBFMBHDD-UHFFFAOYSA-N 1 2 365.441 2.895 20 30 FFEDLO Cc1nc(N2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H](C)C#N)C2)c(C)c(C)[nH+]1 ZINC001091527130 1000609614 /nfs/dbraw/zinc/60/96/14/1000609614.db2.gz LFDJCSXHTNUDTC-FASAQXTFSA-N 1 2 363.465 2.650 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)COCC(F)F)C2 ZINC001109559407 1000636555 /nfs/dbraw/zinc/63/65/55/1000636555.db2.gz AQYOBFQVPLWQNZ-AGIUHOORSA-N 1 2 350.837 2.768 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)COCC(F)F)C2 ZINC001109559407 1000636558 /nfs/dbraw/zinc/63/65/58/1000636558.db2.gz AQYOBFQVPLWQNZ-AGIUHOORSA-N 1 2 350.837 2.768 20 30 FFEDLO C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001146223410 1000644091 /nfs/dbraw/zinc/64/40/91/1000644091.db2.gz WSLVGELAFNDSAH-IQUTYRLHSA-N 1 2 360.458 2.585 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc(C(C)C)no1)C2 ZINC001109582456 1000676044 /nfs/dbraw/zinc/67/60/44/1000676044.db2.gz XALUHNXTDVPWIH-RDBSUJKOSA-N 1 2 352.866 2.600 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc(C(C)C)no1)C2 ZINC001109582456 1000676050 /nfs/dbraw/zinc/67/60/50/1000676050.db2.gz XALUHNXTDVPWIH-RDBSUJKOSA-N 1 2 352.866 2.600 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCC(C)CC1 ZINC001109605568 1000715334 /nfs/dbraw/zinc/71/53/34/1000715334.db2.gz ILATYTAKSWELBQ-QEXNXIHPSA-N 1 2 361.530 2.615 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCC(C)CC1 ZINC001109605568 1000715338 /nfs/dbraw/zinc/71/53/38/1000715338.db2.gz ILATYTAKSWELBQ-QEXNXIHPSA-N 1 2 361.530 2.615 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1ccco1 ZINC001109634462 1000735758 /nfs/dbraw/zinc/73/57/58/1000735758.db2.gz NJBARCPUIVUAMG-NBMJBFSESA-N 1 2 373.497 2.562 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1ccco1 ZINC001109634462 1000735763 /nfs/dbraw/zinc/73/57/63/1000735763.db2.gz NJBARCPUIVUAMG-NBMJBFSESA-N 1 2 373.497 2.562 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091626903 1000869893 /nfs/dbraw/zinc/86/98/93/1000869893.db2.gz QGXMJYOBPZHUOJ-SOUVJXGZSA-N 1 2 356.474 2.662 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091638424 1000914358 /nfs/dbraw/zinc/91/43/58/1000914358.db2.gz WWVGMTONFLKDNL-QMTMVMCOSA-N 1 2 360.506 2.545 20 30 FFEDLO C[C@]1(CCc2ccccc2)NC(=O)N(N=Cc2cccc3[nH+]ccn32)C1=O ZINC000771096580 1001007191 /nfs/dbraw/zinc/00/71/91/1001007191.db2.gz GFSGQMSVFFTVOH-HXUWFJFHSA-N 1 2 361.405 2.612 20 30 FFEDLO O=C(NC1CC1)c1cc(F)c(N=NCc2cccc3[nH+]ccn32)c(F)c1 ZINC000771101495 1001009242 /nfs/dbraw/zinc/00/92/42/1001009242.db2.gz ZWQIMVDRPBJEQT-UHFFFAOYSA-N 1 2 355.348 2.951 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091713477 1001129459 /nfs/dbraw/zinc/12/94/59/1001129459.db2.gz ZNZJZXINGAREFD-QAPCUYQASA-N 1 2 367.946 2.956 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+](C)CCc1cnccn1 ZINC000771465466 1001130624 /nfs/dbraw/zinc/13/06/24/1001130624.db2.gz SVEUKUNFQCTKLY-MOSHPQCFSA-N 1 2 350.466 2.832 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+](C)CCc1cnccn1 ZINC000771465466 1001130630 /nfs/dbraw/zinc/13/06/30/1001130630.db2.gz SVEUKUNFQCTKLY-MOSHPQCFSA-N 1 2 350.466 2.832 20 30 FFEDLO CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)cn1 ZINC001097956567 1016503016 /nfs/dbraw/zinc/50/30/16/1016503016.db2.gz BVGZVCALVLEBRC-NJYVYQBISA-N 1 2 362.477 2.680 20 30 FFEDLO CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)cn1 ZINC001097956567 1016503025 /nfs/dbraw/zinc/50/30/25/1016503025.db2.gz BVGZVCALVLEBRC-NJYVYQBISA-N 1 2 362.477 2.680 20 30 FFEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCC[C@@H]2CCCO2)cc1 ZINC000786748991 1001621822 /nfs/dbraw/zinc/62/18/22/1001621822.db2.gz TYYBWNQBAKWFJX-INIZCTEOSA-N 1 2 363.458 2.917 20 30 FFEDLO C#CCC1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000788150748 1001763325 /nfs/dbraw/zinc/76/33/25/1001763325.db2.gz AAVDUPLYAWAAMT-FQEVSTJZSA-N 1 2 354.494 2.977 20 30 FFEDLO C#CCC1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000788150748 1001763330 /nfs/dbraw/zinc/76/33/30/1001763330.db2.gz AAVDUPLYAWAAMT-FQEVSTJZSA-N 1 2 354.494 2.977 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCN1c1cccc(F)c1C#N ZINC001091828963 1001912559 /nfs/dbraw/zinc/91/25/59/1001912559.db2.gz NEENMORXGQSTDA-DOPJRALCSA-N 1 2 369.444 2.773 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCN1c1cccc(F)c1C#N ZINC001091828963 1001912569 /nfs/dbraw/zinc/91/25/69/1001912569.db2.gz NEENMORXGQSTDA-DOPJRALCSA-N 1 2 369.444 2.773 20 30 FFEDLO Cc1cc(N2CC[C@@H]3CN(C(=O)C#CC(C)C)C[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC001091851021 1001949601 /nfs/dbraw/zinc/94/96/01/1001949601.db2.gz QCBKAENLFLUBRN-MSOLQXFVSA-N 1 2 352.482 2.607 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)n2cccn2)C1 ZINC001086576920 1002122083 /nfs/dbraw/zinc/12/20/83/1002122083.db2.gz KYIGGAXNRTXNNN-RYQLBKOJSA-N 1 2 358.873 2.781 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)n2cccn2)C1 ZINC001086576920 1002122089 /nfs/dbraw/zinc/12/20/89/1002122089.db2.gz KYIGGAXNRTXNNN-RYQLBKOJSA-N 1 2 358.873 2.781 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C)n(C)n2)C1 ZINC001086577795 1002151085 /nfs/dbraw/zinc/15/10/85/1002151085.db2.gz FTXNZNMQSBALQI-FUHWJXTLSA-N 1 2 358.873 2.679 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C)n(C)n2)C1 ZINC001086577795 1002151092 /nfs/dbraw/zinc/15/10/92/1002151092.db2.gz FTXNZNMQSBALQI-FUHWJXTLSA-N 1 2 358.873 2.679 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C)nn2C)C1 ZINC001086578110 1002154656 /nfs/dbraw/zinc/15/46/56/1002154656.db2.gz XCCUNDUAAFRRDA-DLBZAZTESA-N 1 2 358.873 2.679 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C)nn2C)C1 ZINC001086578110 1002154663 /nfs/dbraw/zinc/15/46/63/1002154663.db2.gz XCCUNDUAAFRRDA-DLBZAZTESA-N 1 2 358.873 2.679 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000789761871 1002181542 /nfs/dbraw/zinc/18/15/42/1002181542.db2.gz NKGCCRHQKPYJEU-UHFFFAOYSA-N 1 2 353.466 2.878 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000789761871 1002181549 /nfs/dbraw/zinc/18/15/49/1002181549.db2.gz NKGCCRHQKPYJEU-UHFFFAOYSA-N 1 2 353.466 2.878 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C(C)(C)C)[nH]4)C[C@@]3(C)C2)C1 ZINC001091995984 1002200721 /nfs/dbraw/zinc/20/07/21/1002200721.db2.gz OFQXHWGEBDGARC-VFNWGFHPSA-N 1 2 371.529 2.739 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C(C)(C)C)[nH]4)C[C@@]3(C)C2)C1 ZINC001091995984 1002200729 /nfs/dbraw/zinc/20/07/29/1002200729.db2.gz OFQXHWGEBDGARC-VFNWGFHPSA-N 1 2 371.529 2.739 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001057048661 1016586953 /nfs/dbraw/zinc/58/69/53/1016586953.db2.gz NFWOUPMPRIJLLH-KSZLIROESA-N 1 2 370.497 2.681 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4nc(C5CC5)no4)C[C@@]3(C)C2)CC1 ZINC001091978702 1002239419 /nfs/dbraw/zinc/23/94/19/1002239419.db2.gz AMAHJEZSFDKMQL-UTKZUKDTSA-N 1 2 370.497 2.974 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4nc(C5CC5)no4)C[C@@]3(C)C2)CC1 ZINC001091978702 1002239427 /nfs/dbraw/zinc/23/94/27/1002239427.db2.gz AMAHJEZSFDKMQL-UTKZUKDTSA-N 1 2 370.497 2.974 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@@]2(C)C1 ZINC001092029717 1002314291 /nfs/dbraw/zinc/31/42/91/1002314291.db2.gz FAAIYWXECLLTHH-CLIFFFKTSA-N 1 2 359.297 2.677 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@@]2(C)C1 ZINC001092029717 1002314305 /nfs/dbraw/zinc/31/43/05/1002314305.db2.gz FAAIYWXECLLTHH-CLIFFFKTSA-N 1 2 359.297 2.677 20 30 FFEDLO C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183828271 1002399889 /nfs/dbraw/zinc/39/98/89/1002399889.db2.gz FFNIUKOZUHLSPS-MBOZVWFJSA-N 1 2 355.482 2.532 20 30 FFEDLO C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183828271 1002399896 /nfs/dbraw/zinc/39/98/96/1002399896.db2.gz FFNIUKOZUHLSPS-MBOZVWFJSA-N 1 2 355.482 2.532 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cccc(F)n2)C1 ZINC001092315373 1002666698 /nfs/dbraw/zinc/66/66/98/1002666698.db2.gz BFCZAABLOFMDCN-ARFHVFGLSA-N 1 2 371.460 2.963 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2nccc(C)n2)C1 ZINC001092315605 1002667643 /nfs/dbraw/zinc/66/76/43/1002667643.db2.gz INCLGLMQKMWYFX-USXIJHARSA-N 1 2 368.485 2.527 20 30 FFEDLO N#Cc1ccc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1F ZINC000791395950 1002687969 /nfs/dbraw/zinc/68/79/69/1002687969.db2.gz PUOUPIKQWWVRPE-LJQANCHMSA-N 1 2 354.381 2.642 20 30 FFEDLO N#Cc1ccc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1F ZINC000791395950 1002687976 /nfs/dbraw/zinc/68/79/76/1002687976.db2.gz PUOUPIKQWWVRPE-LJQANCHMSA-N 1 2 354.381 2.642 20 30 FFEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@]1(C)c1ccccc1)c1nccn12 ZINC001092383362 1002762489 /nfs/dbraw/zinc/76/24/89/1002762489.db2.gz DXEWGRLPTAADHG-WAOWUJCRSA-N 1 2 362.477 2.619 20 30 FFEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)c1nccn12 ZINC001092373195 1002789192 /nfs/dbraw/zinc/78/91/92/1002789192.db2.gz QGRSNOJLXZUBMV-GVDBMIGSSA-N 1 2 354.498 2.551 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccccc1OC)C2 ZINC001110094882 1002880228 /nfs/dbraw/zinc/88/02/28/1002880228.db2.gz ZVIRIAFJDATOID-ILXRZTDVSA-N 1 2 350.846 2.548 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccccc1OC)C2 ZINC001110094882 1002880241 /nfs/dbraw/zinc/88/02/41/1002880241.db2.gz ZVIRIAFJDATOID-ILXRZTDVSA-N 1 2 350.846 2.548 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](CCCc3ccc(C#N)cc3)C[C@@]2(F)C1=O ZINC001276279518 1016704829 /nfs/dbraw/zinc/70/48/29/1016704829.db2.gz YKIOCLPRZGEBSS-VQTJNVASSA-N 1 2 359.420 2.641 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](CCCc3ccc(C#N)cc3)C[C@@]2(F)C1=O ZINC001276279518 1016704844 /nfs/dbraw/zinc/70/48/44/1016704844.db2.gz YKIOCLPRZGEBSS-VQTJNVASSA-N 1 2 359.420 2.641 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001110369663 1003073960 /nfs/dbraw/zinc/07/39/60/1003073960.db2.gz ZBHNEMXEORZEAF-AEFFLSMTSA-N 1 2 370.497 2.706 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H](C)N(C)c1nc(C)[nH+]c(C)c1C ZINC001113916902 1003229876 /nfs/dbraw/zinc/22/98/76/1003229876.db2.gz MMPPSWZGNSIGKZ-KKXDTOCCSA-N 1 2 360.502 2.714 20 30 FFEDLO COc1ccc(OCC[N@H+](C)Cn2cc3c(c(C#N)c2=O)CCCC3)cc1 ZINC000793485260 1003384195 /nfs/dbraw/zinc/38/41/95/1003384195.db2.gz WYLALFYQAOIWRI-UHFFFAOYSA-N 1 2 367.449 2.576 20 30 FFEDLO COc1ccc(OCC[N@@H+](C)Cn2cc3c(c(C#N)c2=O)CCCC3)cc1 ZINC000793485260 1003384203 /nfs/dbraw/zinc/38/42/03/1003384203.db2.gz WYLALFYQAOIWRI-UHFFFAOYSA-N 1 2 367.449 2.576 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(F)c2)[nH]1 ZINC001096971692 1016789415 /nfs/dbraw/zinc/78/94/15/1016789415.db2.gz UYZHSEJPPICXCE-XWIAVFTESA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(F)c2)[nH]1 ZINC001096971692 1016789429 /nfs/dbraw/zinc/78/94/29/1016789429.db2.gz UYZHSEJPPICXCE-XWIAVFTESA-N 1 2 356.376 2.700 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001092815916 1003607983 /nfs/dbraw/zinc/60/79/83/1003607983.db2.gz TXRSPAISXRDQND-IKGGRYGDSA-N 1 2 358.486 2.556 20 30 FFEDLO CC(C)=CCC[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001196345297 1003747224 /nfs/dbraw/zinc/74/72/24/1003747224.db2.gz FJBJIERIEQGUNC-KSEOMHKRSA-N 1 2 368.521 2.972 20 30 FFEDLO CC(C)=CCC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001196345297 1003747229 /nfs/dbraw/zinc/74/72/29/1003747229.db2.gz FJBJIERIEQGUNC-KSEOMHKRSA-N 1 2 368.521 2.972 20 30 FFEDLO C#C[C@H](NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCCO1 ZINC000775518391 1004116268 /nfs/dbraw/zinc/11/62/68/1004116268.db2.gz FRXQPZMPTXXOFG-DUPRYPCISA-N 1 2 371.481 2.598 20 30 FFEDLO CCC[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001197221220 1004128094 /nfs/dbraw/zinc/12/80/94/1004128094.db2.gz MZDLFTXUMKJFFW-QWFCFKBJSA-N 1 2 361.461 2.575 20 30 FFEDLO CCC[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001197221220 1004128099 /nfs/dbraw/zinc/12/80/99/1004128099.db2.gz MZDLFTXUMKJFFW-QWFCFKBJSA-N 1 2 361.461 2.575 20 30 FFEDLO CCCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001192639844 1004228746 /nfs/dbraw/zinc/22/87/46/1004228746.db2.gz KJCLQKCYVCNQFP-ATZDWAIDSA-N 1 2 362.901 2.679 20 30 FFEDLO CCCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001192639844 1004228755 /nfs/dbraw/zinc/22/87/55/1004228755.db2.gz KJCLQKCYVCNQFP-ATZDWAIDSA-N 1 2 362.901 2.679 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2cn(Cc3ccccc3)nn2)CC1 ZINC000775568858 1004364084 /nfs/dbraw/zinc/36/40/84/1004364084.db2.gz SAQCOQJHKQBOAC-UHFFFAOYSA-N 1 2 372.476 2.910 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2cn(Cc3ccccc3)nn2)CC1 ZINC000775568858 1004364094 /nfs/dbraw/zinc/36/40/94/1004364094.db2.gz SAQCOQJHKQBOAC-UHFFFAOYSA-N 1 2 372.476 2.910 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)cc2F)C[C@H]1O ZINC001193241356 1004414696 /nfs/dbraw/zinc/41/46/96/1004414696.db2.gz RTJAVZZAFPUVSZ-MJXNMMHHSA-N 1 2 364.436 2.956 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)cc2F)C[C@H]1O ZINC001193241356 1004414702 /nfs/dbraw/zinc/41/47/02/1004414702.db2.gz RTJAVZZAFPUVSZ-MJXNMMHHSA-N 1 2 364.436 2.956 20 30 FFEDLO Cc1ccn(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001097006745 1016882143 /nfs/dbraw/zinc/88/21/43/1016882143.db2.gz ZQIUBFSFMAIAGS-AQNXPRMDSA-N 1 2 365.452 2.859 20 30 FFEDLO Cc1ccn(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001097006745 1016882159 /nfs/dbraw/zinc/88/21/59/1016882159.db2.gz ZQIUBFSFMAIAGS-AQNXPRMDSA-N 1 2 365.452 2.859 20 30 FFEDLO C[N@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1cc(C#N)cs1 ZINC001198195480 1004538786 /nfs/dbraw/zinc/53/87/86/1004538786.db2.gz YMXVBWRKWUHLGL-UHFFFAOYSA-N 1 2 372.469 2.539 20 30 FFEDLO C[N@@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1cc(C#N)cs1 ZINC001198195480 1004538793 /nfs/dbraw/zinc/53/87/93/1004538793.db2.gz YMXVBWRKWUHLGL-UHFFFAOYSA-N 1 2 372.469 2.539 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2cncn2-c2ccc(C(F)(F)F)cc2)CC1 ZINC001198264842 1004542169 /nfs/dbraw/zinc/54/21/69/1004542169.db2.gz LLCQQCSQKLDSHQ-UHFFFAOYSA-N 1 2 364.371 2.835 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2cn(-c3ccccc3C(F)(F)F)cn2)CC1 ZINC001198360083 1004604387 /nfs/dbraw/zinc/60/43/87/1004604387.db2.gz MGHQHBHANAKTMF-UHFFFAOYSA-N 1 2 364.371 2.835 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](CO)c1cc(F)ccc1F ZINC001198686257 1004710439 /nfs/dbraw/zinc/71/04/39/1004710439.db2.gz STBCVFOXVZBFLH-MRXNPFEDSA-N 1 2 365.767 2.752 20 30 FFEDLO CC(C)CC(CC(C)C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131130498 1004740061 /nfs/dbraw/zinc/74/00/61/1004740061.db2.gz PXMQPDKNBBRVGN-QZTJIDSGSA-N 1 2 359.518 2.536 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccc(C)cc3)no2)C[C@H]1O ZINC001195333835 1004950163 /nfs/dbraw/zinc/95/01/63/1004950163.db2.gz OZNJLLGKCKUJMJ-RTBURBONSA-N 1 2 369.465 2.524 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccc(C)cc3)no2)C[C@H]1O ZINC001195333835 1004950169 /nfs/dbraw/zinc/95/01/69/1004950169.db2.gz OZNJLLGKCKUJMJ-RTBURBONSA-N 1 2 369.465 2.524 20 30 FFEDLO C=CCSc1ncccc1C(=O)N[C@@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001199745504 1005019209 /nfs/dbraw/zinc/01/92/09/1005019209.db2.gz BZTHRZAJBVQEAQ-INIZCTEOSA-N 1 2 363.527 2.836 20 30 FFEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@H](O)c1cccc(C#N)c1 ZINC001195876001 1005066746 /nfs/dbraw/zinc/06/67/46/1005066746.db2.gz DMAUVACKZFQZNM-SFHVURJKSA-N 1 2 368.824 2.687 20 30 FFEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@H](O)c1cccc(C#N)c1 ZINC001195876001 1005066755 /nfs/dbraw/zinc/06/67/55/1005066755.db2.gz DMAUVACKZFQZNM-SFHVURJKSA-N 1 2 368.824 2.687 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)C(C)C ZINC001110547628 1005082873 /nfs/dbraw/zinc/08/28/73/1005082873.db2.gz OUVQYEWKRHIFRU-MXEMCNAFSA-N 1 2 372.484 2.960 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)C(C)C ZINC001110547628 1005082877 /nfs/dbraw/zinc/08/28/77/1005082877.db2.gz OUVQYEWKRHIFRU-MXEMCNAFSA-N 1 2 372.484 2.960 20 30 FFEDLO C=C1CCC(C(=O)N(C)[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)CC1 ZINC001487680672 1005091023 /nfs/dbraw/zinc/09/10/23/1005091023.db2.gz XQCFTWSLOUQNLC-ZHALLVOQSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C1CCC(C(=O)N(C)[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)CC1 ZINC001487680672 1005091026 /nfs/dbraw/zinc/09/10/26/1005091026.db2.gz XQCFTWSLOUQNLC-ZHALLVOQSA-N 1 2 370.497 2.613 20 30 FFEDLO Cn1cc[nH+]c1CCNC(=S)Nc1ccc(C#N)cc1Br ZINC001201137518 1005173146 /nfs/dbraw/zinc/17/31/46/1005173146.db2.gz UYOWSJFTOLJOPT-UHFFFAOYSA-N 1 2 364.272 2.583 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]Cc1noc(C2CC2)n1 ZINC001489063735 1005402522 /nfs/dbraw/zinc/40/25/22/1005402522.db2.gz OWJBWTBPYSSHJO-IJEWVQPXSA-N 1 2 359.474 2.604 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccccc2C(C)(C)C)[C@@H]1C ZINC001489257897 1005440921 /nfs/dbraw/zinc/44/09/21/1005440921.db2.gz RUFNTAVSWKIGDZ-UXLLHSPISA-N 1 2 370.497 2.661 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(C)(C)C)[C@@H]1C ZINC001489257897 1005440922 /nfs/dbraw/zinc/44/09/22/1005440922.db2.gz RUFNTAVSWKIGDZ-UXLLHSPISA-N 1 2 370.497 2.661 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCC(C)CC1 ZINC001110610511 1005670537 /nfs/dbraw/zinc/67/05/37/1005670537.db2.gz GSZLABXZKOUWQP-JIARVOFWSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCC(C)CC1 ZINC001110610511 1005670540 /nfs/dbraw/zinc/67/05/40/1005670540.db2.gz GSZLABXZKOUWQP-JIARVOFWSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001490618550 1005746104 /nfs/dbraw/zinc/74/61/04/1005746104.db2.gz FQABAGUOLKZPFZ-IKGGRYGDSA-N 1 2 370.497 2.704 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccc(F)cc1F)C2 ZINC001110625899 1005844736 /nfs/dbraw/zinc/84/47/36/1005844736.db2.gz WZMUOJPEGMLKJA-YUELXQCFSA-N 1 2 356.800 2.818 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccc(F)cc1F)C2 ZINC001110625899 1005844738 /nfs/dbraw/zinc/84/47/38/1005844738.db2.gz WZMUOJPEGMLKJA-YUELXQCFSA-N 1 2 356.800 2.818 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C3CC3)no2)CCC1 ZINC001110652563 1006106066 /nfs/dbraw/zinc/10/60/66/1006106066.db2.gz KDCXCACVCMZAIJ-LZQZEXGQSA-N 1 2 353.466 2.967 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C3CC3)no2)CCC1 ZINC001110652563 1006106073 /nfs/dbraw/zinc/10/60/73/1006106073.db2.gz KDCXCACVCMZAIJ-LZQZEXGQSA-N 1 2 353.466 2.967 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001187882696 1006305105 /nfs/dbraw/zinc/30/51/05/1006305105.db2.gz SSAYINSHYQDTKH-DHSIGJKJSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001187882696 1006305121 /nfs/dbraw/zinc/30/51/21/1006305121.db2.gz SSAYINSHYQDTKH-DHSIGJKJSA-N 1 2 364.848 2.550 20 30 FFEDLO N#Cc1c2c(cn(C[NH+]3CCC([C@@H]4CCCCO4)CC3)c1=O)CCCC2 ZINC000853570233 1006449908 /nfs/dbraw/zinc/44/99/08/1006449908.db2.gz DTHWJDHKPFGYQC-FQEVSTJZSA-N 1 2 355.482 2.837 20 30 FFEDLO CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1nnn(-c2cccc(Cl)c2)c1C ZINC000814886129 1006459381 /nfs/dbraw/zinc/45/93/81/1006459381.db2.gz SGOGJNCXTRURAI-IYBDPMFKSA-N 1 2 371.876 2.813 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(S(=O)(=O)NCC)c1 ZINC000853680524 1006502619 /nfs/dbraw/zinc/50/26/19/1006502619.db2.gz GLYQLCXVRPQBRG-UHFFFAOYSA-N 1 2 373.478 2.784 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]3C[N@@H+](Cc4nonc4C)C[C@H]32)CCCCC1 ZINC001189406714 1007066442 /nfs/dbraw/zinc/06/64/42/1007066442.db2.gz WOYQWTXLNPTFSZ-FUHWJXTLSA-N 1 2 358.486 2.937 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]3C[N@H+](Cc4nonc4C)C[C@H]32)CCCCC1 ZINC001189406714 1007066456 /nfs/dbraw/zinc/06/64/56/1007066456.db2.gz WOYQWTXLNPTFSZ-FUHWJXTLSA-N 1 2 358.486 2.937 20 30 FFEDLO C#C[C@H](NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2)[C@H]1CCCO1 ZINC000775340630 1007402059 /nfs/dbraw/zinc/40/20/59/1007402059.db2.gz LTFXZTUZHQZHFD-FXAWDEMLSA-N 1 2 363.461 2.523 20 30 FFEDLO C#C[C@H](NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2)[C@H]1CCCO1 ZINC000775340630 1007402062 /nfs/dbraw/zinc/40/20/62/1007402062.db2.gz LTFXZTUZHQZHFD-FXAWDEMLSA-N 1 2 363.461 2.523 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(Cl)c1 ZINC001110424337 1007522081 /nfs/dbraw/zinc/52/20/81/1007522081.db2.gz MATRTDOMPHSIIZ-ZACQAIPSSA-N 1 2 363.889 2.939 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(Cl)c1 ZINC001110424337 1007522088 /nfs/dbraw/zinc/52/20/88/1007522088.db2.gz MATRTDOMPHSIIZ-ZACQAIPSSA-N 1 2 363.889 2.939 20 30 FFEDLO C#CC[C@@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]21)c1ccccc1 ZINC001190501518 1007662617 /nfs/dbraw/zinc/66/26/17/1007662617.db2.gz SADVOXJWBLLGDE-IRFCIJBXSA-N 1 2 363.461 2.905 20 30 FFEDLO C#CC[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21)c1ccccc1 ZINC001190501518 1007662622 /nfs/dbraw/zinc/66/26/22/1007662622.db2.gz SADVOXJWBLLGDE-IRFCIJBXSA-N 1 2 363.461 2.905 20 30 FFEDLO Cc1cccn2c([C@H](C)NS(=O)(=O)c3cc(C#N)ccc3F)c[nH+]c12 ZINC001190670377 1007726264 /nfs/dbraw/zinc/72/62/64/1007726264.db2.gz JBMNTNDRJLCQJL-LBPRGKRZSA-N 1 2 358.398 2.693 20 30 FFEDLO CCN1CC[NH+](Cc2ccc(C(=O)N[C@H]3CC[C@H](C#N)CC3)cc2)CC1 ZINC001190857534 1007815432 /nfs/dbraw/zinc/81/54/32/1007815432.db2.gz JXMQQZZBKTVUFR-IRJFHVNHSA-N 1 2 354.498 2.636 20 30 FFEDLO C=CCn1cc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)nn1 ZINC000818224104 1007888138 /nfs/dbraw/zinc/88/81/38/1007888138.db2.gz BUEKWYWIDRBPHB-UHFFFAOYSA-N 1 2 356.430 2.652 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000819387709 1008132440 /nfs/dbraw/zinc/13/24/40/1008132440.db2.gz QAQUYSPYXUVIOR-HNNXBMFYSA-N 1 2 371.441 2.538 20 30 FFEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1nc(SC)nc(C)c1C#N ZINC001206490196 1032309566 /nfs/dbraw/zinc/30/95/66/1032309566.db2.gz NQNPIMPVAZFRKU-UHFFFAOYSA-N 1 2 370.478 2.886 20 30 FFEDLO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2C#N)C[C@@](C)(C(F)(F)F)O1 ZINC000859315239 1008501005 /nfs/dbraw/zinc/50/10/05/1008501005.db2.gz IXGJEKMWIUKCCQ-YOEHRIQHSA-N 1 2 372.387 2.730 20 30 FFEDLO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@@](C)(C(F)(F)F)O1 ZINC000859315239 1008501009 /nfs/dbraw/zinc/50/10/09/1008501009.db2.gz IXGJEKMWIUKCCQ-YOEHRIQHSA-N 1 2 372.387 2.730 20 30 FFEDLO C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001177551784 1008657496 /nfs/dbraw/zinc/65/74/96/1008657496.db2.gz RZDMYDCZPUDSDK-LEWJYISDSA-N 1 2 366.505 2.521 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)C2CC2)CCCC1 ZINC001110214464 1008772379 /nfs/dbraw/zinc/77/23/79/1008772379.db2.gz JEIKYSCZGJVABG-NQYYFHDYSA-N 1 2 373.541 2.759 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)C2CC2)CCCC1 ZINC001110214464 1008772389 /nfs/dbraw/zinc/77/23/89/1008772389.db2.gz JEIKYSCZGJVABG-NQYYFHDYSA-N 1 2 373.541 2.759 20 30 FFEDLO COC(=O)c1ccc(-c2ccc(C[NH+]3CCOCC3)cc2F)c(C#N)c1 ZINC001206702583 1032395650 /nfs/dbraw/zinc/39/56/50/1032395650.db2.gz BAZSJGPQOHGXSR-UHFFFAOYSA-N 1 2 354.381 2.983 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001092894751 1009360584 /nfs/dbraw/zinc/36/05/84/1009360584.db2.gz TZFUMLJBRRAIKK-WKRCXCSHSA-N 1 2 372.513 2.857 20 30 FFEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCO[C@H]3C(C)C)CC2)C1 ZINC001093537066 1010337185 /nfs/dbraw/zinc/33/71/85/1010337185.db2.gz CAXJARMQXXCJAR-PMACEKPBSA-N 1 2 364.530 2.706 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc(-c3ccco3)no2)C[C@H]1C ZINC001206912216 1032492408 /nfs/dbraw/zinc/49/24/08/1032492408.db2.gz ABHSDRRYRLNIGW-QLFBSQMISA-N 1 2 356.426 2.631 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc(-c3ccco3)no2)C[C@H]1C ZINC001206912216 1032492413 /nfs/dbraw/zinc/49/24/13/1032492413.db2.gz ABHSDRRYRLNIGW-QLFBSQMISA-N 1 2 356.426 2.631 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)CCCC)C2)c1 ZINC001206926961 1032506604 /nfs/dbraw/zinc/50/66/04/1032506604.db2.gz IJEONLNZEXUEIX-MBOZVWFJSA-N 1 2 369.509 2.869 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)CCCC)C2)c1 ZINC001206926961 1032506609 /nfs/dbraw/zinc/50/66/09/1032506609.db2.gz IJEONLNZEXUEIX-MBOZVWFJSA-N 1 2 369.509 2.869 20 30 FFEDLO N#Cc1ccc(-c2cccc(CNC(=O)/C=C\C[NH+]3CCOCC3)c2)s1 ZINC000866005544 1010905189 /nfs/dbraw/zinc/90/51/89/1010905189.db2.gz QALZMKBRJLIDFD-DJWKRKHSSA-N 1 2 367.474 2.791 20 30 FFEDLO COCCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866384841 1010986948 /nfs/dbraw/zinc/98/69/48/1010986948.db2.gz DRADULYRYLOIGO-YJBOKZPZSA-N 1 2 370.449 2.543 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001110863241 1011266416 /nfs/dbraw/zinc/26/64/16/1011266416.db2.gz AYJKWISVRRXSOM-HBXLWWENSA-N 1 2 361.486 2.742 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001110863241 1011266429 /nfs/dbraw/zinc/26/64/29/1011266429.db2.gz AYJKWISVRRXSOM-HBXLWWENSA-N 1 2 361.486 2.742 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCC(CC#N)CC3)C2)cc1 ZINC000869099940 1011608774 /nfs/dbraw/zinc/60/87/74/1011608774.db2.gz ANVNJQQSKZIKSE-HXUWFJFHSA-N 1 2 370.497 2.531 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCC(CC#N)CC3)C2)cc1 ZINC000869099940 1011608780 /nfs/dbraw/zinc/60/87/80/1011608780.db2.gz ANVNJQQSKZIKSE-HXUWFJFHSA-N 1 2 370.497 2.531 20 30 FFEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCn2c(COc3ccccn3)nnc2C1 ZINC001172307350 1011737203 /nfs/dbraw/zinc/73/72/03/1011737203.db2.gz GNJVHRJSGIVQIQ-INIZCTEOSA-N 1 2 374.448 2.571 20 30 FFEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCn2c(COc3ccccn3)nnc2C1 ZINC001172307350 1011737213 /nfs/dbraw/zinc/73/72/13/1011737213.db2.gz GNJVHRJSGIVQIQ-INIZCTEOSA-N 1 2 374.448 2.571 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958560811 1011876149 /nfs/dbraw/zinc/87/61/49/1011876149.db2.gz DEZVQXOEHXFORP-YXKFXFPPSA-N 1 2 354.454 2.742 20 30 FFEDLO C=CCOC(=O)CC[C@H]([NH2+]C1CC(C)(C)OC(C)(C)C1)C(=O)OCC=C ZINC001172653016 1011918316 /nfs/dbraw/zinc/91/83/16/1011918316.db2.gz XVWQAWBEAANUEN-INIZCTEOSA-N 1 2 367.486 2.919 20 30 FFEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1nc2ccccc2[nH]1 ZINC001275292932 1012222029 /nfs/dbraw/zinc/22/20/29/1012222029.db2.gz DOHBEDLOEIZNOJ-HXUWFJFHSA-N 1 2 351.454 2.824 20 30 FFEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1nc2ccccc2[nH]1 ZINC001275292932 1012222047 /nfs/dbraw/zinc/22/20/47/1012222047.db2.gz DOHBEDLOEIZNOJ-HXUWFJFHSA-N 1 2 351.454 2.824 20 30 FFEDLO COc1cc(F)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)c(F)c1 ZINC001275307576 1012259393 /nfs/dbraw/zinc/25/93/93/1012259393.db2.gz BVVDFSCRQKQNLG-QZTJIDSGSA-N 1 2 363.408 2.842 20 30 FFEDLO COc1cc(F)c(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)c(F)c1 ZINC001275307576 1012259402 /nfs/dbraw/zinc/25/94/02/1012259402.db2.gz BVVDFSCRQKQNLG-QZTJIDSGSA-N 1 2 363.408 2.842 20 30 FFEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(O)c(F)c1F ZINC001275351925 1012353379 /nfs/dbraw/zinc/35/33/79/1012353379.db2.gz ZJSYROAOZZQHQG-IBGZPJMESA-N 1 2 363.408 2.931 20 30 FFEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(O)c(F)c1F ZINC001275351925 1012353390 /nfs/dbraw/zinc/35/33/90/1012353390.db2.gz ZJSYROAOZZQHQG-IBGZPJMESA-N 1 2 363.408 2.931 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1nc3ccccc3s1)C2 ZINC001275488547 1012535219 /nfs/dbraw/zinc/53/52/19/1012535219.db2.gz WKBMHUUGQGOSEX-FQEVSTJZSA-N 1 2 371.506 2.923 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1nc3ccccc3s1)C2 ZINC001275488547 1012535232 /nfs/dbraw/zinc/53/52/32/1012535232.db2.gz WKBMHUUGQGOSEX-FQEVSTJZSA-N 1 2 371.506 2.923 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2sccc2Br)C1=O ZINC001275515645 1012568641 /nfs/dbraw/zinc/56/86/41/1012568641.db2.gz OBMYOHQVONHLRR-OAHLLOKOSA-N 1 2 353.285 2.711 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2sccc2Br)C1=O ZINC001275515645 1012568651 /nfs/dbraw/zinc/56/86/51/1012568651.db2.gz OBMYOHQVONHLRR-OAHLLOKOSA-N 1 2 353.285 2.711 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1cccc(OCCCC)c1)C2 ZINC001275591414 1012662124 /nfs/dbraw/zinc/66/21/24/1012662124.db2.gz UXJIKTJNOVQJAO-UHFFFAOYSA-N 1 2 358.482 2.855 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)[nH]n1 ZINC001095190892 1012678558 /nfs/dbraw/zinc/67/85/58/1012678558.db2.gz UTFPOPXXODMOTR-AYBZRNKSSA-N 1 2 367.428 2.518 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)[nH]n1 ZINC001095190892 1012678570 /nfs/dbraw/zinc/67/85/70/1012678570.db2.gz UTFPOPXXODMOTR-AYBZRNKSSA-N 1 2 367.428 2.518 20 30 FFEDLO Cc1ncsc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001095204158 1012689870 /nfs/dbraw/zinc/68/98/70/1012689870.db2.gz KKBJIUFDFDPEDN-SQNIBIBYSA-N 1 2 351.475 2.838 20 30 FFEDLO Cc1ncsc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001095204158 1012689879 /nfs/dbraw/zinc/68/98/79/1012689879.db2.gz KKBJIUFDFDPEDN-SQNIBIBYSA-N 1 2 351.475 2.838 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(F)nc2)C3)ccc1F ZINC001095234071 1012801803 /nfs/dbraw/zinc/80/18/03/1012801803.db2.gz GIRHSXOONRXFIN-NJAFHUGGSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(F)nc2)C3)ccc1F ZINC001095234071 1012801819 /nfs/dbraw/zinc/80/18/19/1012801819.db2.gz GIRHSXOONRXFIN-NJAFHUGGSA-N 1 2 368.387 2.767 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)c1cocn1 ZINC001095237077 1012808731 /nfs/dbraw/zinc/80/87/31/1012808731.db2.gz VETXCPIVRFJIFS-RYRKJORJSA-N 1 2 355.825 2.715 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)c1cocn1 ZINC001095237077 1012808750 /nfs/dbraw/zinc/80/87/50/1012808750.db2.gz VETXCPIVRFJIFS-RYRKJORJSA-N 1 2 355.825 2.715 20 30 FFEDLO C=CCN1CC2(C[NH+](CCCc3cccc(C(F)(F)F)c3)C2)OCC1=O ZINC001275799472 1013017559 /nfs/dbraw/zinc/01/75/59/1013017559.db2.gz MLIPKIZKPYXXAI-UHFFFAOYSA-N 1 2 368.399 2.737 20 30 FFEDLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccns2)C3)cc1C#N ZINC001097161832 1017128772 /nfs/dbraw/zinc/12/87/72/1017128772.db2.gz FGNSHPFQIIZXOR-OAGGEKHMSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccns2)C3)cc1C#N ZINC001097161832 1017128779 /nfs/dbraw/zinc/12/87/79/1017128779.db2.gz FGNSHPFQIIZXOR-OAGGEKHMSA-N 1 2 368.462 2.559 20 30 FFEDLO CCC[C@@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110887776 1017202854 /nfs/dbraw/zinc/20/28/54/1017202854.db2.gz WLFPKBHSUVDPMN-OQIJWPOYSA-N 1 2 359.445 2.734 20 30 FFEDLO CCC[C@@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110887776 1017202866 /nfs/dbraw/zinc/20/28/66/1017202866.db2.gz WLFPKBHSUVDPMN-OQIJWPOYSA-N 1 2 359.445 2.734 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCN(c3ccccc3)C1)C2 ZINC001097314285 1017334600 /nfs/dbraw/zinc/33/46/00/1017334600.db2.gz VPFQZGJVNTXIEX-OWYHZJEWSA-N 1 2 359.901 2.987 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCN(c3ccccc3)C1)C2 ZINC001097314285 1017334609 /nfs/dbraw/zinc/33/46/09/1017334609.db2.gz VPFQZGJVNTXIEX-OWYHZJEWSA-N 1 2 359.901 2.987 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](Nc2cccc(F)c2C#N)C1 ZINC001057758065 1017396676 /nfs/dbraw/zinc/39/66/76/1017396676.db2.gz BDWPOFDLWAECFE-RRFJBIMHSA-N 1 2 367.428 2.637 20 30 FFEDLO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(C#N)c1O ZINC000924748605 1017463348 /nfs/dbraw/zinc/46/33/48/1017463348.db2.gz WEICZZVHRAWCLT-GOSISDBHSA-N 1 2 373.478 2.755 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cc(C)[nH+]c(CC)n2)cc1 ZINC001055427482 1017478739 /nfs/dbraw/zinc/47/87/39/1017478739.db2.gz PCAGBXQJGXZXEI-QRVBRYPASA-N 1 2 360.461 2.868 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccn3nccc13)C2 ZINC001097431843 1017482990 /nfs/dbraw/zinc/48/29/90/1017482990.db2.gz QDFIOTAKHLDUIY-QFUCXCTJSA-N 1 2 371.444 2.741 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccn3nccc13)C2 ZINC001097431843 1017482999 /nfs/dbraw/zinc/48/29/99/1017482999.db2.gz QDFIOTAKHLDUIY-QFUCXCTJSA-N 1 2 371.444 2.741 20 30 FFEDLO CC[C@H](C)NC(=O)CO[NH+]=C(N)c1ccc(COc2ccccc2F)cc1 ZINC000748797243 1017657597 /nfs/dbraw/zinc/65/75/97/1017657597.db2.gz QBFGAOXIHSXTMQ-AWEZNQCLSA-N 1 2 373.428 2.956 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000679901531 1017685578 /nfs/dbraw/zinc/68/55/78/1017685578.db2.gz UBZGHFOXSWXTTF-CRAIPNDOSA-N 1 2 356.388 2.948 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000679901531 1017685583 /nfs/dbraw/zinc/68/55/83/1017685583.db2.gz UBZGHFOXSWXTTF-CRAIPNDOSA-N 1 2 356.388 2.948 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c(cccc4C)o3)[C@@H]2C1 ZINC001222060295 1032716767 /nfs/dbraw/zinc/71/67/67/1032716767.db2.gz VEWLGAQBTBRMDZ-SJLPKXTDSA-N 1 2 352.434 2.537 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c(cccc4C)o3)[C@@H]2C1 ZINC001222060295 1032716781 /nfs/dbraw/zinc/71/67/81/1032716781.db2.gz VEWLGAQBTBRMDZ-SJLPKXTDSA-N 1 2 352.434 2.537 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3n[nH]cc31)C2 ZINC001097620759 1017709480 /nfs/dbraw/zinc/70/94/80/1017709480.db2.gz FYJTVRQDIVNINH-HBGVWJBISA-N 1 2 371.444 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3n[nH]cc31)C2 ZINC001097620759 1017709492 /nfs/dbraw/zinc/70/94/92/1017709492.db2.gz FYJTVRQDIVNINH-HBGVWJBISA-N 1 2 371.444 2.970 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)cs1 ZINC001097710831 1017827508 /nfs/dbraw/zinc/82/75/08/1017827508.db2.gz WPFHBJIBSXKJRG-KYJSFNMBSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)cs1 ZINC001097710831 1017827527 /nfs/dbraw/zinc/82/75/27/1017827527.db2.gz WPFHBJIBSXKJRG-KYJSFNMBSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)cs1 ZINC001097710752 1017827939 /nfs/dbraw/zinc/82/79/39/1017827939.db2.gz UZIXXJVZYUEMBL-KYJSFNMBSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)cs1 ZINC001097710752 1017827954 /nfs/dbraw/zinc/82/79/54/1017827954.db2.gz UZIXXJVZYUEMBL-KYJSFNMBSA-N 1 2 370.453 2.998 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1Nc1cccc(F)c1C#N ZINC001052737028 1018080211 /nfs/dbraw/zinc/08/02/11/1018080211.db2.gz YYJYWRLGVKMYMI-RHSMWYFYSA-N 1 2 369.444 2.883 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001053214451 1018213291 /nfs/dbraw/zinc/21/32/91/1018213291.db2.gz QNYQZBDIHVKGDV-RDTXWAMCSA-N 1 2 367.497 2.892 20 30 FFEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1CC)CCO2 ZINC001053397709 1018283332 /nfs/dbraw/zinc/28/33/32/1018283332.db2.gz FCFQDWASEHLTMT-VQTJNVASSA-N 1 2 354.494 2.842 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(C[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC001053469906 1018325185 /nfs/dbraw/zinc/32/51/85/1018325185.db2.gz SKUSJVIHKPVNRR-HOJAQTOUSA-N 1 2 370.493 2.642 20 30 FFEDLO C=CCc1cc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc(OC)c1OC ZINC000682482489 1018840778 /nfs/dbraw/zinc/84/07/78/1018840778.db2.gz CHVRXZOEMNJIHS-MRXNPFEDSA-N 1 2 355.438 2.508 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1noc3ccc(F)cc13)C2 ZINC001096147639 1018853380 /nfs/dbraw/zinc/85/33/80/1018853380.db2.gz JTMPMJDHMVKIAT-KCXAZCMYSA-N 1 2 363.820 2.983 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1noc3ccc(F)cc13)C2 ZINC001096147639 1018853402 /nfs/dbraw/zinc/85/34/02/1018853402.db2.gz JTMPMJDHMVKIAT-KCXAZCMYSA-N 1 2 363.820 2.983 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)c(C)o1 ZINC001096148901 1018867353 /nfs/dbraw/zinc/86/73/53/1018867353.db2.gz VXZWMHRNMRIOOB-QYZOEREBSA-N 1 2 363.461 2.932 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)c(C)o1 ZINC001096148901 1018867374 /nfs/dbraw/zinc/86/73/74/1018867374.db2.gz VXZWMHRNMRIOOB-QYZOEREBSA-N 1 2 363.461 2.932 20 30 FFEDLO Cc1n[nH]c(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096183416 1019206237 /nfs/dbraw/zinc/20/62/37/1019206237.db2.gz DPDZQKFYHWCZCK-NJAFHUGGSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1n[nH]c(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096183416 1019206245 /nfs/dbraw/zinc/20/62/45/1019206245.db2.gz DPDZQKFYHWCZCK-NJAFHUGGSA-N 1 2 367.428 2.573 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccccc1NC(C)=O)C2 ZINC001098062269 1019264149 /nfs/dbraw/zinc/26/41/49/1019264149.db2.gz SOLRRFHZOFSICM-NXHRZFHOSA-N 1 2 361.873 2.662 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccccc1NC(C)=O)C2 ZINC001098062269 1019264155 /nfs/dbraw/zinc/26/41/55/1019264155.db2.gz SOLRRFHZOFSICM-NXHRZFHOSA-N 1 2 361.873 2.662 20 30 FFEDLO C=C1CCC(C(=O)NC[C@H]2CC[C@@H](Nc3[nH+]cnc4c3cnn4C)C2)CC1 ZINC001047497722 1019313488 /nfs/dbraw/zinc/31/34/88/1019313488.db2.gz XTWFEUYTCUQBOG-GOEBONIOSA-N 1 2 368.485 2.807 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001068605482 1019320894 /nfs/dbraw/zinc/32/08/94/1019320894.db2.gz PUQCTXCGIMBSGG-XPYUAMARSA-N 1 2 370.497 2.950 20 30 FFEDLO COc1cccc(C[NH+]2CCN(C(=O)c3ccc(C#N)cc3OC)CC2)c1 ZINC000827942971 1019384196 /nfs/dbraw/zinc/38/41/96/1019384196.db2.gz HLQXRVISWHDGTB-UHFFFAOYSA-N 1 2 365.433 2.533 20 30 FFEDLO CC(C)c1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(=O)[nH]1 ZINC000929362537 1019389581 /nfs/dbraw/zinc/38/95/81/1019389581.db2.gz HFFJIWWATWNEIS-UHFFFAOYSA-N 1 2 364.449 2.740 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)ccn1 ZINC001096211019 1019393629 /nfs/dbraw/zinc/39/36/29/1019393629.db2.gz WFTPQLBTPFFWTO-HOJAQTOUSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)ccn1 ZINC001096211019 1019393644 /nfs/dbraw/zinc/39/36/44/1019393644.db2.gz WFTPQLBTPFFWTO-HOJAQTOUSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095944062 1019399929 /nfs/dbraw/zinc/39/99/29/1019399929.db2.gz YDDVGUAIGADVQU-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095944062 1019399947 /nfs/dbraw/zinc/39/99/47/1019399947.db2.gz YDDVGUAIGADVQU-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@@H+](C)Cc2nccn2CC(F)(F)F)cc1 ZINC000929511243 1019472599 /nfs/dbraw/zinc/47/25/99/1019472599.db2.gz RSOBPHMSZZISCJ-UHFFFAOYSA-N 1 2 364.371 2.887 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@H+](C)Cc2nccn2CC(F)(F)F)cc1 ZINC000929511243 1019472609 /nfs/dbraw/zinc/47/26/09/1019472609.db2.gz RSOBPHMSZZISCJ-UHFFFAOYSA-N 1 2 364.371 2.887 20 30 FFEDLO Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H](Nc3cccc(F)c3C#N)C2)c[nH+]1 ZINC001043594860 1019530807 /nfs/dbraw/zinc/53/08/07/1019530807.db2.gz WFJOQCJAWKFWGR-FZKQIMNGSA-N 1 2 369.444 2.896 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1C[NH+](CCc2ccccc2F)C1 ZINC001044026083 1019627681 /nfs/dbraw/zinc/62/76/81/1019627681.db2.gz OKUBXYYMXKSRJN-ICSRJNTNSA-N 1 2 360.473 2.882 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)c1 ZINC001095987722 1019706405 /nfs/dbraw/zinc/70/64/05/1019706405.db2.gz JNFQTFUSSQPSBD-GIVPXCGWSA-N 1 2 374.419 2.609 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)c1 ZINC001095987722 1019706421 /nfs/dbraw/zinc/70/64/21/1019706421.db2.gz JNFQTFUSSQPSBD-GIVPXCGWSA-N 1 2 374.419 2.609 20 30 FFEDLO COC(=O)[C@@H](OC(=O)[C@H](c1ccccc1)[NH+](C)C)c1cccc(C#N)c1 ZINC000780087845 1019954172 /nfs/dbraw/zinc/95/41/72/1019954172.db2.gz KYAMFJSFASNJOW-ROUUACIJSA-N 1 2 352.390 2.618 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(F)ccc(OC)c1Cl ZINC001276384306 1019955139 /nfs/dbraw/zinc/95/51/39/1019955139.db2.gz VNAALLDWDIOPOT-HUUCEWRRSA-N 1 2 350.821 2.686 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(F)ccc(OC)c1Cl ZINC001276384306 1019955147 /nfs/dbraw/zinc/95/51/47/1019955147.db2.gz VNAALLDWDIOPOT-HUUCEWRRSA-N 1 2 350.821 2.686 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1F ZINC001096034436 1020018830 /nfs/dbraw/zinc/01/88/30/1020018830.db2.gz ARSVDKOLBGMFJP-PTGCCPEKSA-N 1 2 362.420 2.777 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1F ZINC001096034436 1020018840 /nfs/dbraw/zinc/01/88/40/1020018840.db2.gz ARSVDKOLBGMFJP-PTGCCPEKSA-N 1 2 362.420 2.777 20 30 FFEDLO CCCC[C@H](C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001217794777 1032872105 /nfs/dbraw/zinc/87/21/05/1032872105.db2.gz LVLIOKBQIPBVPK-JCGIZDLHSA-N 1 2 361.511 2.858 20 30 FFEDLO CCCC[C@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001217794777 1032872123 /nfs/dbraw/zinc/87/21/23/1032872123.db2.gz LVLIOKBQIPBVPK-JCGIZDLHSA-N 1 2 361.511 2.858 20 30 FFEDLO C#CCCC[N@H+]1C[C@]2(F)CN(C[C@@H](C)CC(F)(F)F)C(=O)[C@]2(F)C1 ZINC001276385411 1020148189 /nfs/dbraw/zinc/14/81/89/1020148189.db2.gz VCZYCDUYMZWRDO-AEGPPILISA-N 1 2 352.347 2.563 20 30 FFEDLO C#CCCC[N@@H+]1C[C@]2(F)CN(C[C@@H](C)CC(F)(F)F)C(=O)[C@]2(F)C1 ZINC001276385411 1020148193 /nfs/dbraw/zinc/14/81/93/1020148193.db2.gz VCZYCDUYMZWRDO-AEGPPILISA-N 1 2 352.347 2.563 20 30 FFEDLO O=C1C[C@H](c2cccc(Cl)c2)CN1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902600230 1020330823 /nfs/dbraw/zinc/33/08/23/1020330823.db2.gz TTYDLQYDRNQDLL-INIZCTEOSA-N 1 2 374.868 2.951 20 30 FFEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3CCOC[C@@H]3C[C@H]3CCOC3)n2)cc1 ZINC000902604686 1020333880 /nfs/dbraw/zinc/33/38/80/1020333880.db2.gz IYXMVRXWQRFFSH-MJGOQNOKSA-N 1 2 352.438 2.507 20 30 FFEDLO N#Cc1ccc(-c2ccn(C[N@H+]3CCOC[C@@H]3C[C@H]3CCOC3)n2)cc1 ZINC000902604686 1020333889 /nfs/dbraw/zinc/33/38/89/1020333889.db2.gz IYXMVRXWQRFFSH-MJGOQNOKSA-N 1 2 352.438 2.507 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(Cc2ccc3c(c2)CCO3)CC1=O ZINC000725909450 1020368354 /nfs/dbraw/zinc/36/83/54/1020368354.db2.gz IVWCDVBWTNHIJY-UHFFFAOYSA-N 1 2 374.444 2.781 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001073123835 1020380164 /nfs/dbraw/zinc/38/01/64/1020380164.db2.gz LTSXHOSRAKOPTR-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001073123835 1020380175 /nfs/dbraw/zinc/38/01/75/1020380175.db2.gz LTSXHOSRAKOPTR-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2Cc3c[nH]nc3[C@@H](C)C2)cc1 ZINC000931460045 1020477304 /nfs/dbraw/zinc/47/73/04/1020477304.db2.gz VBCOLNPGHKAOGJ-JKSUJKDBSA-N 1 2 351.454 2.973 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2Cc3c[nH]nc3[C@@H](C)C2)cc1 ZINC000931460045 1020477309 /nfs/dbraw/zinc/47/73/09/1020477309.db2.gz VBCOLNPGHKAOGJ-JKSUJKDBSA-N 1 2 351.454 2.973 20 30 FFEDLO Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(C#N)nn2)c(C)[nH+]1 ZINC001046212270 1020543682 /nfs/dbraw/zinc/54/36/82/1020543682.db2.gz XYMVQGMZYNTXLN-IAGOWNOFSA-N 1 2 364.453 2.822 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000931796339 1020590279 /nfs/dbraw/zinc/59/02/79/1020590279.db2.gz JJYRJHQAWMBYEQ-LJQANCHMSA-N 1 2 371.872 2.773 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000931796339 1020590287 /nfs/dbraw/zinc/59/02/87/1020590287.db2.gz JJYRJHQAWMBYEQ-LJQANCHMSA-N 1 2 371.872 2.773 20 30 FFEDLO CCCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)C(F)C(F)(F)F)[C@H]2C1 ZINC001217954082 1032917767 /nfs/dbraw/zinc/91/77/67/1032917767.db2.gz LSJHGAOYMVFWNR-MJBXVCDLSA-N 1 2 354.388 2.769 20 30 FFEDLO CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)C(F)C(F)(F)F)[C@H]2C1 ZINC001217954082 1032917781 /nfs/dbraw/zinc/91/77/81/1032917781.db2.gz LSJHGAOYMVFWNR-MJBXVCDLSA-N 1 2 354.388 2.769 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1coc(C)n1 ZINC001074015842 1020625058 /nfs/dbraw/zinc/62/50/58/1020625058.db2.gz RRTOFIQQDFGLMC-QRVBRYPASA-N 1 2 361.486 2.777 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1coc(C)n1 ZINC001074015842 1020625061 /nfs/dbraw/zinc/62/50/61/1020625061.db2.gz RRTOFIQQDFGLMC-QRVBRYPASA-N 1 2 361.486 2.777 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932156319 1020727129 /nfs/dbraw/zinc/72/71/29/1020727129.db2.gz AVPRSDWWUWNBFW-FHWLQOOXSA-N 1 2 373.497 2.719 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](C#N)C1 ZINC000932156319 1020727138 /nfs/dbraw/zinc/72/71/38/1020727138.db2.gz AVPRSDWWUWNBFW-FHWLQOOXSA-N 1 2 373.497 2.719 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccnc(Cl)c2)nc1 ZINC001098237345 1020753753 /nfs/dbraw/zinc/75/37/53/1020753753.db2.gz NXAIILRJIGFNFZ-NXHRZFHOSA-N 1 2 366.852 2.647 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccnc(Cl)c2)nc1 ZINC001098237345 1020753759 /nfs/dbraw/zinc/75/37/59/1020753759.db2.gz NXAIILRJIGFNFZ-NXHRZFHOSA-N 1 2 366.852 2.647 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)no1 ZINC001098243471 1020758465 /nfs/dbraw/zinc/75/84/65/1020758465.db2.gz UYZALBQOPBNKGY-SUMDDJOVSA-N 1 2 350.422 2.644 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)no1 ZINC001098243471 1020758476 /nfs/dbraw/zinc/75/84/76/1020758476.db2.gz UYZALBQOPBNKGY-SUMDDJOVSA-N 1 2 350.422 2.644 20 30 FFEDLO COc1cccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001098280490 1020789745 /nfs/dbraw/zinc/78/97/45/1020789745.db2.gz VZFZGQUKLOSPIH-WQVCFCJDSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1cccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001098280490 1020789755 /nfs/dbraw/zinc/78/97/55/1020789755.db2.gz VZFZGQUKLOSPIH-WQVCFCJDSA-N 1 2 368.462 2.559 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncnc1C1CC1)C2 ZINC001098307552 1020806716 /nfs/dbraw/zinc/80/67/16/1020806716.db2.gz GHFVWPDYOMGVAZ-RLLQIKCJSA-N 1 2 373.460 2.761 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncnc1C1CC1)C2 ZINC001098307552 1020806723 /nfs/dbraw/zinc/80/67/23/1020806723.db2.gz GHFVWPDYOMGVAZ-RLLQIKCJSA-N 1 2 373.460 2.761 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CCCOC2)C3)c1 ZINC001098423062 1020895316 /nfs/dbraw/zinc/89/53/16/1020895316.db2.gz LQODAVOXDKMGSB-ZSXHRAQDSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CCCOC2)C3)c1 ZINC001098423062 1020895321 /nfs/dbraw/zinc/89/53/21/1020895321.db2.gz LQODAVOXDKMGSB-ZSXHRAQDSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CCCOC2)C3)c(F)c1 ZINC001098423415 1020897088 /nfs/dbraw/zinc/89/70/88/1020897088.db2.gz QOCCDXPGSKMYFH-QOJCHSLYSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CCCOC2)C3)c(F)c1 ZINC001098423415 1020897094 /nfs/dbraw/zinc/89/70/94/1020897094.db2.gz QOCCDXPGSKMYFH-QOJCHSLYSA-N 1 2 371.456 2.736 20 30 FFEDLO CC(C)(C)OC(=O)N1CC(OC2CC[NH+](Cc3ccncc3C#N)CC2)C1 ZINC000932797212 1020903364 /nfs/dbraw/zinc/90/33/64/1020903364.db2.gz HBWUMTRUONUHDO-UHFFFAOYSA-N 1 2 372.469 2.554 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1C(=O)Nc3ccccc31)C2 ZINC001098490033 1020962675 /nfs/dbraw/zinc/96/26/75/1020962675.db2.gz XKKRVQAYMDQDQE-UOJCXKCYSA-N 1 2 359.857 2.586 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1C(=O)Nc3ccccc31)C2 ZINC001098490033 1020962681 /nfs/dbraw/zinc/96/26/81/1020962681.db2.gz XKKRVQAYMDQDQE-UOJCXKCYSA-N 1 2 359.857 2.586 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cccc(=O)[nH]2)c1C ZINC000933395237 1021005028 /nfs/dbraw/zinc/00/50/28/1021005028.db2.gz HLOPHASNXDZWQB-UHFFFAOYSA-N 1 2 352.438 2.783 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cccc(=O)[nH]2)c1C ZINC000933395237 1021005033 /nfs/dbraw/zinc/00/50/33/1021005033.db2.gz HLOPHASNXDZWQB-UHFFFAOYSA-N 1 2 352.438 2.783 20 30 FFEDLO O=C(N[C@]12CCC[C@H]1C[N@@H+](CC#Cc1ccccc1Cl)C2)c1ccon1 ZINC001098745645 1021104685 /nfs/dbraw/zinc/10/46/85/1021104685.db2.gz YZUXYNJHPZJXNW-JXFKEZNVSA-N 1 2 369.852 2.964 20 30 FFEDLO O=C(N[C@]12CCC[C@H]1C[N@H+](CC#Cc1ccccc1Cl)C2)c1ccon1 ZINC001098745645 1021104688 /nfs/dbraw/zinc/10/46/88/1021104688.db2.gz YZUXYNJHPZJXNW-JXFKEZNVSA-N 1 2 369.852 2.964 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCC1 ZINC001111072639 1021193688 /nfs/dbraw/zinc/19/36/88/1021193688.db2.gz QGPWLVHLQIWATD-KURKYZTESA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCC1 ZINC001111072639 1021193704 /nfs/dbraw/zinc/19/37/04/1021193704.db2.gz QGPWLVHLQIWATD-KURKYZTESA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1 ZINC001111072610 1021193893 /nfs/dbraw/zinc/19/38/93/1021193893.db2.gz OMDDGKGRAMSODS-QRVBRYPASA-N 1 2 369.509 2.627 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1 ZINC001111072610 1021193897 /nfs/dbraw/zinc/19/38/97/1021193897.db2.gz OMDDGKGRAMSODS-QRVBRYPASA-N 1 2 369.509 2.627 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934418553 1021228452 /nfs/dbraw/zinc/22/84/52/1021228452.db2.gz OUHYELBYKQTREG-FOIQADDNSA-N 1 2 353.470 2.951 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934418553 1021228461 /nfs/dbraw/zinc/22/84/61/1021228461.db2.gz OUHYELBYKQTREG-FOIQADDNSA-N 1 2 353.470 2.951 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)nn1 ZINC000934732971 1021374877 /nfs/dbraw/zinc/37/48/77/1021374877.db2.gz HFIYOUWNXDFXKW-LJQANCHMSA-N 1 2 361.490 2.830 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)nn1 ZINC000934732971 1021374893 /nfs/dbraw/zinc/37/48/93/1021374893.db2.gz HFIYOUWNXDFXKW-LJQANCHMSA-N 1 2 361.490 2.830 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@@H](C)c2nc(C)no2)C3)cc1 ZINC001098973185 1021513023 /nfs/dbraw/zinc/51/30/23/1021513023.db2.gz ZALVSBIRAZQMEO-XQAUZQBESA-N 1 2 364.449 2.705 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@@H](C)c2nc(C)no2)C3)cc1 ZINC001098973185 1021513030 /nfs/dbraw/zinc/51/30/30/1021513030.db2.gz ZALVSBIRAZQMEO-XQAUZQBESA-N 1 2 364.449 2.705 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@H](C)c2nnc(C)[nH]2)C3)CC1 ZINC001099013244 1021592725 /nfs/dbraw/zinc/59/27/25/1021592725.db2.gz YZFIPZAESMPIEQ-LIVBEALHSA-N 1 2 357.502 2.891 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@H](C)c2nnc(C)[nH]2)C3)CC1 ZINC001099013244 1021592741 /nfs/dbraw/zinc/59/27/41/1021592741.db2.gz YZFIPZAESMPIEQ-LIVBEALHSA-N 1 2 357.502 2.891 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnoc2CC)C1 ZINC001099060323 1021689393 /nfs/dbraw/zinc/68/93/93/1021689393.db2.gz PDMKEWFEORJGKA-LRDDRELGSA-N 1 2 368.275 2.730 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnoc2CC)C1 ZINC001099060323 1021689398 /nfs/dbraw/zinc/68/93/98/1021689398.db2.gz PDMKEWFEORJGKA-LRDDRELGSA-N 1 2 368.275 2.730 20 30 FFEDLO C=C1CCC(C(=O)N2CC=C(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC001017546173 1022247751 /nfs/dbraw/zinc/24/77/51/1022247751.db2.gz SJHZJGBSDCETSM-QZTJIDSGSA-N 1 2 368.481 2.535 20 30 FFEDLO C=C1CCC(C(=O)N2CC=C(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC001017546173 1022247757 /nfs/dbraw/zinc/24/77/57/1022247757.db2.gz SJHZJGBSDCETSM-QZTJIDSGSA-N 1 2 368.481 2.535 20 30 FFEDLO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2C2CC2)cc1C#N ZINC001018048331 1022332898 /nfs/dbraw/zinc/33/28/98/1022332898.db2.gz AFTBDNWXJDWRKJ-ZGXWSNOMSA-N 1 2 365.477 2.788 20 30 FFEDLO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2C2CC2)cc1C#N ZINC001018048331 1022332913 /nfs/dbraw/zinc/33/29/13/1022332913.db2.gz AFTBDNWXJDWRKJ-ZGXWSNOMSA-N 1 2 365.477 2.788 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C(C)C)n1 ZINC001038267562 1022641451 /nfs/dbraw/zinc/64/14/51/1022641451.db2.gz WBDXOTDXEOANKZ-GGPKGHCWSA-N 1 2 357.498 2.877 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C(C)C)n1 ZINC001038267562 1022641457 /nfs/dbraw/zinc/64/14/57/1022641457.db2.gz WBDXOTDXEOANKZ-GGPKGHCWSA-N 1 2 357.498 2.877 20 30 FFEDLO C#CCN(Cc1cccc(F)n1)C1CC[NH+](Cc2cccc(F)n2)CC1 ZINC001119265863 1022643685 /nfs/dbraw/zinc/64/36/85/1022643685.db2.gz IJKDEZZQEUOYQB-UHFFFAOYSA-N 1 2 356.420 2.855 20 30 FFEDLO C#CC[N@@H+](Cc1cn(C(C)C)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001119375917 1022719449 /nfs/dbraw/zinc/71/94/49/1022719449.db2.gz JAAZVBGBRLPQDZ-UHFFFAOYSA-N 1 2 361.490 2.694 20 30 FFEDLO C#CC[N@H+](Cc1cn(C(C)C)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001119375917 1022719456 /nfs/dbraw/zinc/71/94/56/1022719456.db2.gz JAAZVBGBRLPQDZ-UHFFFAOYSA-N 1 2 361.490 2.694 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc([C@H](C)CC)cc1)C2 ZINC001111476082 1022765638 /nfs/dbraw/zinc/76/56/38/1022765638.db2.gz RARZAZBZTIYPLF-XLNTUCKNSA-N 1 2 369.509 2.837 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc([C@H](C)CC)cc1)C2 ZINC001111476082 1022765650 /nfs/dbraw/zinc/76/56/50/1022765650.db2.gz RARZAZBZTIYPLF-XLNTUCKNSA-N 1 2 369.509 2.837 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC001039593844 1022770514 /nfs/dbraw/zinc/77/05/14/1022770514.db2.gz YJCUIQFXNIZUNC-WCIQWLHISA-N 1 2 355.482 2.628 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC001039593844 1022770520 /nfs/dbraw/zinc/77/05/20/1022770520.db2.gz YJCUIQFXNIZUNC-WCIQWLHISA-N 1 2 355.482 2.628 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)CCc1ccc(N)[nH+]c1 ZINC000751456909 1022835805 /nfs/dbraw/zinc/83/58/05/1022835805.db2.gz CZMYPVFGVXKUBX-CQSZACIVSA-N 1 2 373.478 2.804 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCNc2ccccc2)CC1=O ZINC000752717451 1023196078 /nfs/dbraw/zinc/19/60/78/1023196078.db2.gz GQOWQSSTHDJNJM-UHFFFAOYSA-N 1 2 361.449 2.758 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@@H](C)C[C@@H](C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001122395177 1023240909 /nfs/dbraw/zinc/24/09/09/1023240909.db2.gz KJYSRRMDVVVUFF-WOCWXWTJSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@@H](C)C[C@@H](C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001122395177 1023240912 /nfs/dbraw/zinc/24/09/12/1023240912.db2.gz KJYSRRMDVVVUFF-WOCWXWTJSA-N 1 2 361.534 2.638 20 30 FFEDLO Cc1ccc(C[N@H+](C)CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)s1 ZINC000076265835 1023264844 /nfs/dbraw/zinc/26/48/44/1023264844.db2.gz ZFBLLPKDNYSORL-UHFFFAOYSA-N 1 2 368.462 2.782 20 30 FFEDLO Cc1ccc(C[N@@H+](C)CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)s1 ZINC000076265835 1023264845 /nfs/dbraw/zinc/26/48/45/1023264845.db2.gz ZFBLLPKDNYSORL-UHFFFAOYSA-N 1 2 368.462 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC(C3CCC3)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001122481995 1023297077 /nfs/dbraw/zinc/29/70/77/1023297077.db2.gz JIZJTMHDPUXWEK-GHTZIAJQSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC(C3CCC3)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001122481995 1023297083 /nfs/dbraw/zinc/29/70/83/1023297083.db2.gz JIZJTMHDPUXWEK-GHTZIAJQSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC[C@H](OC2CCC2)C1 ZINC001122487979 1023300519 /nfs/dbraw/zinc/30/05/19/1023300519.db2.gz NCMRYVQHJHJLAL-SFHVURJKSA-N 1 2 359.518 2.988 20 30 FFEDLO CCOCCCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@@H](CC#N)C1 ZINC001122606359 1023364155 /nfs/dbraw/zinc/36/41/55/1023364155.db2.gz PQPCVLIEPGQKFV-DLBZAZTESA-N 1 2 360.506 2.601 20 30 FFEDLO CCOCCCn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@@H](CC#N)C1 ZINC001122606359 1023364159 /nfs/dbraw/zinc/36/41/59/1023364159.db2.gz PQPCVLIEPGQKFV-DLBZAZTESA-N 1 2 360.506 2.601 20 30 FFEDLO CCOCCCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@@H](CC#N)C1 ZINC001122606361 1023364309 /nfs/dbraw/zinc/36/43/09/1023364309.db2.gz PQPCVLIEPGQKFV-IRXDYDNUSA-N 1 2 360.506 2.601 20 30 FFEDLO CCOCCCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@@H](CC#N)C1 ZINC001122606361 1023364314 /nfs/dbraw/zinc/36/43/14/1023364314.db2.gz PQPCVLIEPGQKFV-IRXDYDNUSA-N 1 2 360.506 2.601 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC(C#N)CC1 ZINC001122626714 1023376601 /nfs/dbraw/zinc/37/66/01/1023376601.db2.gz AMZATIPXKYMADX-ROUUACIJSA-N 1 2 370.501 2.520 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC(C#N)CC1 ZINC001122626714 1023376608 /nfs/dbraw/zinc/37/66/08/1023376608.db2.gz AMZATIPXKYMADX-ROUUACIJSA-N 1 2 370.501 2.520 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc(C[NH+]2CCCCC2)n1CCCOCC ZINC001122660103 1023395174 /nfs/dbraw/zinc/39/51/74/1023395174.db2.gz JSXHEZSNHVVPTI-SFHVURJKSA-N 1 2 359.518 2.683 20 30 FFEDLO O=[N+]([O-])c1ccc(-n2cccc2C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)cc1 ZINC000753931514 1023401621 /nfs/dbraw/zinc/40/16/21/1023401621.db2.gz ZLLURBUERZMMKH-IRXDYDNUSA-N 1 2 352.398 2.579 20 30 FFEDLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753934776 1023402466 /nfs/dbraw/zinc/40/24/66/1023402466.db2.gz KLUPFRXPAVUTEC-CALCHBBNSA-N 1 2 372.423 2.961 20 30 FFEDLO C=CCc1cc(C[N@@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC000754736931 1023510179 /nfs/dbraw/zinc/51/01/79/1023510179.db2.gz PDVIBXKSYIJUFP-KRWDZBQOSA-N 1 2 363.454 2.672 20 30 FFEDLO C=CCc1cc(C[N@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC000754736931 1023510186 /nfs/dbraw/zinc/51/01/86/1023510186.db2.gz PDVIBXKSYIJUFP-KRWDZBQOSA-N 1 2 363.454 2.672 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(C)CCC(C)=C(C)C1)C2 ZINC001111479155 1023610661 /nfs/dbraw/zinc/61/06/61/1023610661.db2.gz IWPMJJDPZMRQBX-DCXXXQMHSA-N 1 2 359.514 2.537 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(C)CCC(C)=C(C)C1)C2 ZINC001111479155 1023610663 /nfs/dbraw/zinc/61/06/63/1023610663.db2.gz IWPMJJDPZMRQBX-DCXXXQMHSA-N 1 2 359.514 2.537 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000755900093 1023648207 /nfs/dbraw/zinc/64/82/07/1023648207.db2.gz YSIIVSXLNZURBO-UHFFFAOYSA-N 1 2 355.442 2.551 20 30 FFEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000756070907 1023665012 /nfs/dbraw/zinc/66/50/12/1023665012.db2.gz GKLGCKATLUHZLE-SJORKVTESA-N 1 2 367.453 2.800 20 30 FFEDLO C=CCn1c([C@H](O)CCCCC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001121579357 1023861475 /nfs/dbraw/zinc/86/14/75/1023861475.db2.gz PAMYUTXXZKAFBP-QGZVFWFLSA-N 1 2 370.501 2.799 20 30 FFEDLO C=CCn1c(N2CCC(C)(C(C)C)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121607739 1023877971 /nfs/dbraw/zinc/87/79/71/1023877971.db2.gz PKWABOOXYBWZNS-OXJNMPFZSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC(C)(C(C)C)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001121607739 1023877979 /nfs/dbraw/zinc/87/79/79/1023877979.db2.gz PKWABOOXYBWZNS-OXJNMPFZSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)Cc1cnn(C)c1 ZINC001121689675 1023928678 /nfs/dbraw/zinc/92/86/78/1023928678.db2.gz FFERERXDLPTKAZ-QGZVFWFLSA-N 1 2 368.489 2.666 20 30 FFEDLO C=CCn1c(N2CC[C@H](CC(C)(C)C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121708623 1023938723 /nfs/dbraw/zinc/93/87/23/1023938723.db2.gz NDKQSDSXKFKPDW-QINHECLXSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CC[C@H](CC(C)(C)C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121708623 1023938726 /nfs/dbraw/zinc/93/87/26/1023938726.db2.gz NDKQSDSXKFKPDW-QINHECLXSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)CN(CC)c1nnc(-c2ccc(C[NH+]3CCOCC3)cn2)n1CC ZINC001121787565 1024020409 /nfs/dbraw/zinc/02/04/09/1024020409.db2.gz CCEQJZHNQCBDJP-UHFFFAOYSA-N 1 2 370.501 2.595 20 30 FFEDLO Cc1cc(Cn2c([C@@H]3CCC[N@@H+]3C)nnc2N(C)[C@@H]2CCC[C@@H]2C#N)no1 ZINC001123796971 1024040146 /nfs/dbraw/zinc/04/01/46/1024040146.db2.gz IMOYJQQQEDLYPO-OIISXLGYSA-N 1 2 369.473 2.518 20 30 FFEDLO Cc1cc(Cn2c([C@@H]3CCC[N@H+]3C)nnc2N(C)[C@@H]2CCC[C@@H]2C#N)no1 ZINC001123796971 1024040162 /nfs/dbraw/zinc/04/01/62/1024040162.db2.gz IMOYJQQQEDLYPO-OIISXLGYSA-N 1 2 369.473 2.518 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C(C)(C)C)C[C@@]2(C)C1 ZINC001101203231 1024081618 /nfs/dbraw/zinc/08/16/18/1024081618.db2.gz MLBIHXPGMOANTL-UTKZUKDTSA-N 1 2 371.529 2.507 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C(C)(C)C)C[C@@]2(C)C1 ZINC001101203231 1024081637 /nfs/dbraw/zinc/08/16/37/1024081637.db2.gz MLBIHXPGMOANTL-UTKZUKDTSA-N 1 2 371.529 2.507 20 30 FFEDLO CCCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cccc(F)c1C#N ZINC001101242107 1024165313 /nfs/dbraw/zinc/16/53/13/1024165313.db2.gz SEVCNRSXVAEWBB-HUUCEWRRSA-N 1 2 369.444 2.567 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1N(C)C(C)=O)C2 ZINC001095839202 1024277920 /nfs/dbraw/zinc/27/79/20/1024277920.db2.gz WBZSXZIVXUQNSQ-HFTRVMKXSA-N 1 2 361.873 2.757 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1N(C)C(C)=O)C2 ZINC001095839202 1024277935 /nfs/dbraw/zinc/27/79/35/1024277935.db2.gz WBZSXZIVXUQNSQ-HFTRVMKXSA-N 1 2 361.873 2.757 20 30 FFEDLO C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001124607432 1024349395 /nfs/dbraw/zinc/34/93/95/1024349395.db2.gz NFYQPHOIWMTNGH-INIZCTEOSA-N 1 2 361.438 2.989 20 30 FFEDLO C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001124607432 1024349407 /nfs/dbraw/zinc/34/94/07/1024349407.db2.gz NFYQPHOIWMTNGH-INIZCTEOSA-N 1 2 361.438 2.989 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C(C)C)[nH]4)C[C@@]3(C)C2)CCC1 ZINC001101355159 1024534681 /nfs/dbraw/zinc/53/46/81/1024534681.db2.gz QKZZTGSQOKCHDY-UZLBHIALSA-N 1 2 371.529 2.955 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C(C)C)[nH]4)C[C@@]3(C)C2)CCC1 ZINC001101355159 1024534689 /nfs/dbraw/zinc/53/46/89/1024534689.db2.gz QKZZTGSQOKCHDY-UZLBHIALSA-N 1 2 371.529 2.955 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(=O)oc3cc(O)ccc23)c1 ZINC000193498984 1024547144 /nfs/dbraw/zinc/54/71/44/1024547144.db2.gz DCYBUIVABOYEPO-UHFFFAOYSA-N 1 2 362.385 2.550 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(=O)oc3cc(O)ccc23)c1 ZINC000193498984 1024547153 /nfs/dbraw/zinc/54/71/53/1024547153.db2.gz DCYBUIVABOYEPO-UHFFFAOYSA-N 1 2 362.385 2.550 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)COc2ccccc2Cl)c1 ZINC000193948226 1024718088 /nfs/dbraw/zinc/71/80/88/1024718088.db2.gz VTIJFNAAILVSSG-KRWDZBQOSA-N 1 2 372.852 2.632 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)COc2ccccc2Cl)c1 ZINC000193948226 1024718096 /nfs/dbraw/zinc/71/80/96/1024718096.db2.gz VTIJFNAAILVSSG-KRWDZBQOSA-N 1 2 372.852 2.632 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(c1nc(C)[nH+]c(C)c1C)C(C)C ZINC001102144593 1025482336 /nfs/dbraw/zinc/48/23/36/1025482336.db2.gz OTLJSLDSGITAQS-MSOLQXFVSA-N 1 2 360.502 2.714 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102391749 1025875514 /nfs/dbraw/zinc/87/55/14/1025875514.db2.gz BXAKLDBOGWNJHI-NXHRZFHOSA-N 1 2 370.497 2.586 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)CCCO1 ZINC000839135465 1026600026 /nfs/dbraw/zinc/60/00/26/1026600026.db2.gz DKNNITDMNICZGE-GOSISDBHSA-N 1 2 362.445 2.793 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CCCO1 ZINC000839135465 1026600035 /nfs/dbraw/zinc/60/00/35/1026600035.db2.gz DKNNITDMNICZGE-GOSISDBHSA-N 1 2 362.445 2.793 20 30 FFEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OC ZINC000839168602 1026609758 /nfs/dbraw/zinc/60/97/58/1026609758.db2.gz LNWCXMHHHOIPPQ-WCXIOVBPSA-N 1 2 364.486 2.709 20 30 FFEDLO C#CCCCCC(=O)NCC[C@@H]1C[N@@H+](Cc2noc(C3CC3)n2)C[C@H]1C ZINC001102885854 1026751064 /nfs/dbraw/zinc/75/10/64/1026751064.db2.gz IXZWIAGYKCANFA-NVXWUHKLSA-N 1 2 358.486 2.715 20 30 FFEDLO C#CCCCCC(=O)NCC[C@@H]1C[N@H+](Cc2noc(C3CC3)n2)C[C@H]1C ZINC001102885854 1026751078 /nfs/dbraw/zinc/75/10/78/1026751078.db2.gz IXZWIAGYKCANFA-NVXWUHKLSA-N 1 2 358.486 2.715 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+](Cn2ccc(-c3ccc(F)cn3)n2)CC1 ZINC000840069170 1026942568 /nfs/dbraw/zinc/94/25/68/1026942568.db2.gz RSKLIAWZEFQISJ-UHFFFAOYSA-N 1 2 362.412 2.994 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)nn1 ZINC000640822638 1026954851 /nfs/dbraw/zinc/95/48/51/1026954851.db2.gz NIBIXOJERLCKIX-LBPRGKRZSA-N 1 2 365.359 2.610 20 30 FFEDLO COC(=O)C1(C#N)CCN(c2ccc3cc(OC)c(OC)cc3[nH+]2)CC1 ZINC001158690329 1027097169 /nfs/dbraw/zinc/09/71/69/1027097169.db2.gz KMOLOFBBTCLLLB-UHFFFAOYSA-N 1 2 355.394 2.535 20 30 FFEDLO CSc1nc(C[N@H+]2C[C@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141946003 1027199613 /nfs/dbraw/zinc/19/96/13/1027199613.db2.gz WATLWAHDHBRZNC-HIFRSBDPSA-N 1 2 360.483 2.726 20 30 FFEDLO CSc1nc(C[N@@H+]2C[C@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141946003 1027199624 /nfs/dbraw/zinc/19/96/24/1027199624.db2.gz WATLWAHDHBRZNC-HIFRSBDPSA-N 1 2 360.483 2.726 20 30 FFEDLO CSc1nc(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)ccc1C#N ZINC001141945896 1027200540 /nfs/dbraw/zinc/20/05/40/1027200540.db2.gz QSPYQWGOTWUTEZ-OAHLLOKOSA-N 1 2 352.454 2.981 20 30 FFEDLO C(#Cc1ccccc1)c1ccc(C[NH+]2CCN(c3ncncn3)CC2)s1 ZINC001141977981 1027239530 /nfs/dbraw/zinc/23/95/30/1027239530.db2.gz VNTHKGJVRYOIBO-UHFFFAOYSA-N 1 2 361.474 2.655 20 30 FFEDLO CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1snc(Cl)c1C#N ZINC001103364966 1027321610 /nfs/dbraw/zinc/32/16/10/1027321610.db2.gz WWNRRQUENVTXCD-OPRDCNLKSA-N 1 2 364.862 2.502 20 30 FFEDLO CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1snc(Cl)c1C#N ZINC001103364966 1027321632 /nfs/dbraw/zinc/32/16/32/1027321632.db2.gz WWNRRQUENVTXCD-OPRDCNLKSA-N 1 2 364.862 2.502 20 30 FFEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1cc(C#N)c2cc(Cl)ccc2n1 ZINC001160699286 1027813117 /nfs/dbraw/zinc/81/31/17/1027813117.db2.gz CYUGYCAFWICAMT-INIZCTEOSA-N 1 2 369.812 2.690 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCC(=O)c1ccc(C#N)cc1 ZINC000796002995 1028395854 /nfs/dbraw/zinc/39/58/54/1028395854.db2.gz JSYTUVJRCUYODM-UHFFFAOYSA-N 1 2 369.327 2.921 20 30 FFEDLO COc1cccc(C2(CNc3[nH+]cc(C)cc3/C=N/O)CCOCC2)n1 ZINC001162159211 1028455632 /nfs/dbraw/zinc/45/56/32/1028455632.db2.gz PTTBYCBTLFWOPZ-WSDLNYQXSA-N 1 2 356.426 2.762 20 30 FFEDLO CCCCc1nc(C[NH2+]CC[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)no1 ZINC001104163279 1028623803 /nfs/dbraw/zinc/62/38/03/1028623803.db2.gz FVBBRKWEJDMDRT-IAGOWNOFSA-N 1 2 360.502 2.646 20 30 FFEDLO C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1CC[NH2+]Cc1noc(C2CC2)n1 ZINC001104174826 1028636159 /nfs/dbraw/zinc/63/61/59/1028636159.db2.gz FWKSWOHJUJEBFU-GDBMZVCRSA-N 1 2 358.486 2.571 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1nc2cc(F)ccc2c(Cl)c1C#N ZINC001162856208 1028681197 /nfs/dbraw/zinc/68/11/97/1028681197.db2.gz ZYRLMQLUMSQSFJ-LBPRGKRZSA-N 1 2 364.808 2.980 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncc(CC)o1)C2 ZINC001111642693 1029025388 /nfs/dbraw/zinc/02/53/88/1029025388.db2.gz HMYJJEWPPHCODL-GUXCAODWSA-N 1 2 361.486 2.689 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncc(CC)o1)C2 ZINC001111642693 1029025401 /nfs/dbraw/zinc/02/54/01/1029025401.db2.gz HMYJJEWPPHCODL-GUXCAODWSA-N 1 2 361.486 2.689 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccccc3)cs2)C[C@H]1C ZINC001206659854 1029064932 /nfs/dbraw/zinc/06/49/32/1029064932.db2.gz SNRYQEJNDYEIAW-IIAWOOMASA-N 1 2 354.479 2.906 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)cs2)C[C@H]1C ZINC001206659854 1029064943 /nfs/dbraw/zinc/06/49/43/1029064943.db2.gz SNRYQEJNDYEIAW-IIAWOOMASA-N 1 2 354.479 2.906 20 30 FFEDLO C=CCOC(=O)N1CCC2(CN(c3nc(N4CCCC4)c(C)c[nH+]3)C2)CC1 ZINC001163861519 1029093382 /nfs/dbraw/zinc/09/33/82/1029093382.db2.gz HQRUDQJBEALHLD-UHFFFAOYSA-N 1 2 371.485 2.610 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C(C)C)s1)C2 ZINC001111729925 1029257047 /nfs/dbraw/zinc/25/70/47/1029257047.db2.gz MMAYWCKWBKPCJD-KXBFYZLASA-N 1 2 360.527 2.936 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C(C)C)s1)C2 ZINC001111729925 1029257061 /nfs/dbraw/zinc/25/70/61/1029257061.db2.gz MMAYWCKWBKPCJD-KXBFYZLASA-N 1 2 360.527 2.936 20 30 FFEDLO CCCc1nc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)cs1 ZINC001111740580 1029303338 /nfs/dbraw/zinc/30/33/38/1029303338.db2.gz DYMNMTQCIOPNOR-JXFKEZNVSA-N 1 2 357.523 2.980 20 30 FFEDLO CCCc1nc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)cs1 ZINC001111740580 1029303352 /nfs/dbraw/zinc/30/33/52/1029303352.db2.gz DYMNMTQCIOPNOR-JXFKEZNVSA-N 1 2 357.523 2.980 20 30 FFEDLO C=C(C)C(=O)NCCCNc1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001156821263 1029361969 /nfs/dbraw/zinc/36/19/69/1029361969.db2.gz UILJPOYRCDQIPI-UHFFFAOYSA-N 1 2 365.481 2.529 20 30 FFEDLO C=C(C)C(=O)NCCCNc1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001156821263 1029361987 /nfs/dbraw/zinc/36/19/87/1029361987.db2.gz UILJPOYRCDQIPI-UHFFFAOYSA-N 1 2 365.481 2.529 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1CC(C)C)C2 ZINC001111763687 1029380222 /nfs/dbraw/zinc/38/02/22/1029380222.db2.gz CJDXIEFTINVVLD-PXNSSMCTSA-N 1 2 359.518 2.761 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1CC(C)C)C2 ZINC001111763687 1029380227 /nfs/dbraw/zinc/38/02/27/1029380227.db2.gz CJDXIEFTINVVLD-PXNSSMCTSA-N 1 2 359.518 2.761 20 30 FFEDLO COCCO[C@@H]1CC[N@H+](CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)C1 ZINC000781963609 1029497053 /nfs/dbraw/zinc/49/70/53/1029497053.db2.gz LZVVCSUIQSOGEV-VJOZSWGJSA-N 1 2 358.482 2.604 20 30 FFEDLO COCCO[C@@H]1CC[N@@H+](CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)C1 ZINC000781963609 1029497057 /nfs/dbraw/zinc/49/70/57/1029497057.db2.gz LZVVCSUIQSOGEV-VJOZSWGJSA-N 1 2 358.482 2.604 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C(C)C)n1C)C2 ZINC001111845971 1029609549 /nfs/dbraw/zinc/60/95/49/1029609549.db2.gz KQSPYNGLZHTBLE-UWJYYQICSA-N 1 2 371.529 2.603 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C(C)C)n1C)C2 ZINC001111845971 1029609555 /nfs/dbraw/zinc/60/95/55/1029609555.db2.gz KQSPYNGLZHTBLE-UWJYYQICSA-N 1 2 371.529 2.603 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1C(C)C)C2 ZINC001111850580 1029615721 /nfs/dbraw/zinc/61/57/21/1029615721.db2.gz OVWKFNJAGXHRRX-UWVAXJGDSA-N 1 2 359.518 2.932 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1C(C)C)C2 ZINC001111850580 1029615723 /nfs/dbraw/zinc/61/57/23/1029615723.db2.gz OVWKFNJAGXHRRX-UWVAXJGDSA-N 1 2 359.518 2.932 20 30 FFEDLO N#C[C@H](c1ccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)nn1)c1ccccc1F ZINC001157586154 1029623670 /nfs/dbraw/zinc/62/36/70/1029623670.db2.gz SRQFUJANOYZZDS-PBHICJAKSA-N 1 2 367.428 2.546 20 30 FFEDLO N#C[C@H](c1ccc(N[C@@H]2CCC[N@H+](C3COC3)C2)nn1)c1ccccc1F ZINC001157586154 1029623673 /nfs/dbraw/zinc/62/36/73/1029623673.db2.gz SRQFUJANOYZZDS-PBHICJAKSA-N 1 2 367.428 2.546 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C3CC3)n1C)C2 ZINC001111855579 1029626531 /nfs/dbraw/zinc/62/65/31/1029626531.db2.gz CDZVFYWAGMSNMQ-JXFKEZNVSA-N 1 2 357.502 2.520 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C3CC3)n1C)C2 ZINC001111855579 1029626537 /nfs/dbraw/zinc/62/65/37/1029626537.db2.gz CDZVFYWAGMSNMQ-JXFKEZNVSA-N 1 2 357.502 2.520 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC001112093603 1029988950 /nfs/dbraw/zinc/98/89/50/1029988950.db2.gz FCYUSYMDXLFNAU-GDBMZVCRSA-N 1 2 369.387 2.834 20 30 FFEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1c1cc(C#N)cc(Cl)n1 ZINC001165651360 1030067749 /nfs/dbraw/zinc/06/77/49/1030067749.db2.gz WVLAJVCHGVAVFY-HNNXBMFYSA-N 1 2 372.860 2.624 20 30 FFEDLO N#Cc1cnc(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c(Cl)c1 ZINC001165691389 1030085666 /nfs/dbraw/zinc/08/56/66/1030085666.db2.gz OLKFXTJEJOOUKW-OAHLLOKOSA-N 1 2 357.845 2.866 20 30 FFEDLO Cc1ccc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)c(Cl)n1 ZINC000842024344 1030581229 /nfs/dbraw/zinc/58/12/29/1030581229.db2.gz MBNRSWCLLGXCAA-UHFFFAOYSA-N 1 2 374.872 2.713 20 30 FFEDLO C#CCC(C)(C)COC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000796818448 1030924549 /nfs/dbraw/zinc/92/45/49/1030924549.db2.gz FDKGYXHTEKLXQL-CRAIPNDOSA-N 1 2 359.470 2.703 20 30 FFEDLO N#Cc1ccc(C[N@H+]2Cc3nccn3C[C@@H](COCc3cccnc3)C2)cc1 ZINC001203904074 1030972348 /nfs/dbraw/zinc/97/23/48/1030972348.db2.gz UMCFPXDQCRGVSY-NRFANRHFSA-N 1 2 373.460 2.999 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2Cc3nccn3C[C@@H](COCc3cccnc3)C2)cc1 ZINC001203904074 1030972365 /nfs/dbraw/zinc/97/23/65/1030972365.db2.gz UMCFPXDQCRGVSY-NRFANRHFSA-N 1 2 373.460 2.999 20 30 FFEDLO CC(C)NC(=O)c1noc2c1C[N@H+](Cc1c[nH]c3cc(C#N)ccc13)CC2 ZINC001142928618 1031068839 /nfs/dbraw/zinc/06/88/39/1031068839.db2.gz FKVAFAHVEFCQPF-UHFFFAOYSA-N 1 2 363.421 2.724 20 30 FFEDLO CC(C)NC(=O)c1noc2c1C[N@@H+](Cc1c[nH]c3cc(C#N)ccc13)CC2 ZINC001142928618 1031068856 /nfs/dbraw/zinc/06/88/56/1031068856.db2.gz FKVAFAHVEFCQPF-UHFFFAOYSA-N 1 2 363.421 2.724 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(C(=O)OC)cc1 ZINC001204149189 1031131589 /nfs/dbraw/zinc/13/15/89/1031131589.db2.gz QMUDXIHUSCYNOA-SFHVURJKSA-N 1 2 355.438 2.509 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(C(=O)OC)cc1 ZINC001204149189 1031131592 /nfs/dbraw/zinc/13/15/92/1031131592.db2.gz QMUDXIHUSCYNOA-SFHVURJKSA-N 1 2 355.438 2.509 20 30 FFEDLO CC(C)(C)OC(=O)N1CCO[C@H]2C[N@H+](Cc3ccccc3C#N)CC[C@@H]21 ZINC001204367975 1031257493 /nfs/dbraw/zinc/25/74/93/1031257493.db2.gz HCQBJHVFASEUBN-ROUUACIJSA-N 1 2 357.454 2.768 20 30 FFEDLO CC(C)(C)OC(=O)N1CCO[C@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]21 ZINC001204367975 1031257497 /nfs/dbraw/zinc/25/74/97/1031257497.db2.gz HCQBJHVFASEUBN-ROUUACIJSA-N 1 2 357.454 2.768 20 30 FFEDLO CCOC(=O)CC[NH+](CCC(=O)OCC)Cc1c(F)ccc(C#N)c1F ZINC001143175920 1031284613 /nfs/dbraw/zinc/28/46/13/1031284613.db2.gz KYLWLAMEQJVAJY-UHFFFAOYSA-N 1 2 368.380 2.545 20 30 FFEDLO C=CCCC[C@@H](C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC001149724926 1031578610 /nfs/dbraw/zinc/57/86/10/1031578610.db2.gz GVIZVDOQKRVHIA-NHCUHLMSSA-N 1 2 372.509 2.686 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1=O ZINC000798956596 1031592460 /nfs/dbraw/zinc/59/24/60/1031592460.db2.gz FUOUPMAUOHOZEV-OAHLLOKOSA-N 1 2 360.458 2.647 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1=O ZINC000798956596 1031592470 /nfs/dbraw/zinc/59/24/70/1031592470.db2.gz FUOUPMAUOHOZEV-OAHLLOKOSA-N 1 2 360.458 2.647 20 30 FFEDLO C#CCC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1c1cccc(F)c1 ZINC001205409741 1031720906 /nfs/dbraw/zinc/72/09/06/1031720906.db2.gz DGDZEBAVULDIHJ-ZNMIVQPWSA-N 1 2 360.326 2.633 20 30 FFEDLO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1c1cccc(F)c1 ZINC001205409741 1031720916 /nfs/dbraw/zinc/72/09/16/1031720916.db2.gz DGDZEBAVULDIHJ-ZNMIVQPWSA-N 1 2 360.326 2.633 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]Cc2csnn2)C1 ZINC001205563007 1031835483 /nfs/dbraw/zinc/83/54/83/1031835483.db2.gz FGFDCVHEOJHTKL-DOTOQJQBSA-N 1 2 360.458 2.728 20 30 FFEDLO Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2ccccc2F)o1 ZINC001205607596 1031867639 /nfs/dbraw/zinc/86/76/39/1031867639.db2.gz KEFIRORNDQTODI-PKOBYXMFSA-N 1 2 369.440 2.866 20 30 FFEDLO C#CCC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1c1ccccc1F ZINC001205614946 1031874033 /nfs/dbraw/zinc/87/40/33/1031874033.db2.gz NCPRALUPQAKLSJ-NWANDNLSSA-N 1 2 360.326 2.633 20 30 FFEDLO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1c1ccccc1F ZINC001205614946 1031874040 /nfs/dbraw/zinc/87/40/40/1031874040.db2.gz NCPRALUPQAKLSJ-NWANDNLSSA-N 1 2 360.326 2.633 20 30 FFEDLO CC1(CCC(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@H]32)CC1 ZINC001218899771 1033400956 /nfs/dbraw/zinc/40/09/56/1033400956.db2.gz TZHXSZYWQLFUND-DLBZAZTESA-N 1 2 359.495 2.612 20 30 FFEDLO CC1(CCC(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@@H]32)CC1 ZINC001218899771 1033400964 /nfs/dbraw/zinc/40/09/64/1033400964.db2.gz TZHXSZYWQLFUND-DLBZAZTESA-N 1 2 359.495 2.612 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001223338765 1033403879 /nfs/dbraw/zinc/40/38/79/1033403879.db2.gz ZPSOCDGYIQXQFV-SCTDSRPQSA-N 1 2 359.518 2.632 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001223338765 1033403884 /nfs/dbraw/zinc/40/38/84/1033403884.db2.gz ZPSOCDGYIQXQFV-SCTDSRPQSA-N 1 2 359.518 2.632 20 30 FFEDLO CCCCCCCCCC(=O)N1CCO[C@@H]2C[N@H+](CC#CCOC)C[C@@H]21 ZINC001219008699 1033458365 /nfs/dbraw/zinc/45/83/65/1033458365.db2.gz VUMSNOHJFASTDI-VQTJNVASSA-N 1 2 364.530 2.689 20 30 FFEDLO CCCCCCCCCC(=O)N1CCO[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]21 ZINC001219008699 1033458370 /nfs/dbraw/zinc/45/83/70/1033458370.db2.gz VUMSNOHJFASTDI-VQTJNVASSA-N 1 2 364.530 2.689 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3CC)[C@H]2C1 ZINC001223586566 1033508278 /nfs/dbraw/zinc/50/82/78/1033508278.db2.gz CRJUHKZVIWBMQA-SJORKVTESA-N 1 2 359.518 2.632 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3CC)[C@H]2C1 ZINC001223586566 1033508282 /nfs/dbraw/zinc/50/82/82/1033508282.db2.gz CRJUHKZVIWBMQA-SJORKVTESA-N 1 2 359.518 2.632 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000830229747 1033525047 /nfs/dbraw/zinc/52/50/47/1033525047.db2.gz FSNAPCQAOZFWKW-VQIMIIECSA-N 1 2 362.433 2.725 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000830229747 1033525057 /nfs/dbraw/zinc/52/50/57/1033525057.db2.gz FSNAPCQAOZFWKW-VQIMIIECSA-N 1 2 362.433 2.725 20 30 FFEDLO CCCC[C@H](CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001219235234 1033566083 /nfs/dbraw/zinc/56/60/83/1033566083.db2.gz PBNDWKSSUPMWLF-SXLOBPIMSA-N 1 2 360.473 2.555 20 30 FFEDLO CCCC[C@H](CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001219235234 1033566089 /nfs/dbraw/zinc/56/60/89/1033566089.db2.gz PBNDWKSSUPMWLF-SXLOBPIMSA-N 1 2 360.473 2.555 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CCc2cccc(Cl)c2Cl)C[C@@H]1O ZINC001219344735 1033609246 /nfs/dbraw/zinc/60/92/46/1033609246.db2.gz ULXHHBLWHWNMMG-CABCVRRESA-N 1 2 357.281 2.663 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CCc2cccc(Cl)c2Cl)C[C@@H]1O ZINC001219344735 1033609250 /nfs/dbraw/zinc/60/92/50/1033609250.db2.gz ULXHHBLWHWNMMG-CABCVRRESA-N 1 2 357.281 2.663 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001219686845 1033748497 /nfs/dbraw/zinc/74/84/97/1033748497.db2.gz WVECEEOIMHHCSI-BKTGTZMESA-N 1 2 364.436 2.956 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001219686845 1033748508 /nfs/dbraw/zinc/74/85/08/1033748508.db2.gz WVECEEOIMHHCSI-BKTGTZMESA-N 1 2 364.436 2.956 20 30 FFEDLO Cn1cc[nH+]c1C[C@H](NC(=O)Nc1cc(CC#N)ccn1)c1ccccc1 ZINC001219701414 1033769255 /nfs/dbraw/zinc/76/92/55/1033769255.db2.gz NRLOJBYEWVGEJB-KRWDZBQOSA-N 1 2 360.421 2.987 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3c2c(F)ccc3F)C[C@@H]1O ZINC001219706787 1033777174 /nfs/dbraw/zinc/77/71/74/1033777174.db2.gz OGFZAYOIJDFCEV-IKGGRYGDSA-N 1 2 364.436 2.716 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCc3c2c(F)ccc3F)C[C@@H]1O ZINC001219706787 1033777190 /nfs/dbraw/zinc/77/71/90/1033777190.db2.gz OGFZAYOIJDFCEV-IKGGRYGDSA-N 1 2 364.436 2.716 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C[C@@H]1O ZINC001219720742 1033787437 /nfs/dbraw/zinc/78/74/37/1033787437.db2.gz YEUIBJXRCWHAHX-JQHSSLGASA-N 1 2 369.465 2.920 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C[C@@H]1O ZINC001219720742 1033787453 /nfs/dbraw/zinc/78/74/53/1033787453.db2.gz YEUIBJXRCWHAHX-JQHSSLGASA-N 1 2 369.465 2.920 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cn(CC)nn4)[C@H]3C2)CCCC1 ZINC001224344438 1033854243 /nfs/dbraw/zinc/85/42/43/1033854243.db2.gz RTTLSVJOPHNPOT-MJGOQNOKSA-N 1 2 371.529 2.857 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4cn(CC)nn4)[C@H]3C2)CCCC1 ZINC001224344438 1033854257 /nfs/dbraw/zinc/85/42/57/1033854257.db2.gz RTTLSVJOPHNPOT-MJGOQNOKSA-N 1 2 371.529 2.857 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCc2cc(Cl)cc(Cl)c2)C[C@@H]1O ZINC001220141248 1034001272 /nfs/dbraw/zinc/00/12/72/1034001272.db2.gz MQRMICPAEOTESN-CVEARBPZSA-N 1 2 371.308 2.909 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCc2cc(Cl)cc(Cl)c2)C[C@@H]1O ZINC001220141248 1034001286 /nfs/dbraw/zinc/00/12/86/1034001286.db2.gz MQRMICPAEOTESN-CVEARBPZSA-N 1 2 371.308 2.909 20 30 FFEDLO C=CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001138239016 1034002462 /nfs/dbraw/zinc/00/24/62/1034002462.db2.gz NTKUBBYIJUMUEJ-SFHVURJKSA-N 1 2 355.438 2.531 20 30 FFEDLO C=CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001138239016 1034002479 /nfs/dbraw/zinc/00/24/79/1034002479.db2.gz NTKUBBYIJUMUEJ-SFHVURJKSA-N 1 2 355.438 2.531 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3c2cc(F)cc3F)C[C@@H]1O ZINC001220434730 1034175748 /nfs/dbraw/zinc/17/57/48/1034175748.db2.gz ZHRWCYPPAQFJPL-KURKYZTESA-N 1 2 364.436 2.716 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3c2cc(F)cc3F)C[C@@H]1O ZINC001220434730 1034175754 /nfs/dbraw/zinc/17/57/54/1034175754.db2.gz ZHRWCYPPAQFJPL-KURKYZTESA-N 1 2 364.436 2.716 20 30 FFEDLO CCC(CC)CC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001220624785 1034299933 /nfs/dbraw/zinc/29/99/33/1034299933.db2.gz PRDIPECQFUEWHA-MOPGFXCFSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC(CC)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001220624785 1034299945 /nfs/dbraw/zinc/29/99/45/1034299945.db2.gz PRDIPECQFUEWHA-MOPGFXCFSA-N 1 2 362.901 2.679 20 30 FFEDLO CCOC(=O)c1c(C)n(C)c2ccc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@H+]4C)cc21 ZINC001226036960 1034500529 /nfs/dbraw/zinc/50/05/29/1034500529.db2.gz MJQOVQUBWMTSJF-FBGPNTBESA-N 1 2 370.449 2.655 20 30 FFEDLO CCOC(=O)c1c(C)n(C)c2ccc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@@H+]4C)cc21 ZINC001226036960 1034500539 /nfs/dbraw/zinc/50/05/39/1034500539.db2.gz MJQOVQUBWMTSJF-FBGPNTBESA-N 1 2 370.449 2.655 20 30 FFEDLO C=CCC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1O)c1ccccc1 ZINC001221199507 1034599277 /nfs/dbraw/zinc/59/92/77/1034599277.db2.gz YEFQWIIFXVVNBY-QRVBRYPASA-N 1 2 371.506 2.554 20 30 FFEDLO C=CCC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1O)c1ccccc1 ZINC001221199507 1034599286 /nfs/dbraw/zinc/59/92/86/1034599286.db2.gz YEFQWIIFXVVNBY-QRVBRYPASA-N 1 2 371.506 2.554 20 30 FFEDLO N#CCSCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(Cl)c3)C[C@H]21 ZINC001221289629 1034650720 /nfs/dbraw/zinc/65/07/20/1034650720.db2.gz WCJVLBMVPPBYDX-CZUORRHYSA-N 1 2 367.877 2.769 20 30 FFEDLO N#CCSCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3)C[C@H]21 ZINC001221289629 1034650730 /nfs/dbraw/zinc/65/07/30/1034650730.db2.gz WCJVLBMVPPBYDX-CZUORRHYSA-N 1 2 367.877 2.769 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)sc3C)C[C@H]21 ZINC001221423806 1034738481 /nfs/dbraw/zinc/73/84/81/1034738481.db2.gz RXSOIQMPMNGYCW-MZMPZRCHSA-N 1 2 363.527 2.774 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)sc3C)C[C@H]21 ZINC001221423806 1034738493 /nfs/dbraw/zinc/73/84/93/1034738493.db2.gz RXSOIQMPMNGYCW-MZMPZRCHSA-N 1 2 363.527 2.774 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccc(C)cc3)C[C@H]21 ZINC001221488755 1034812787 /nfs/dbraw/zinc/81/27/87/1034812787.db2.gz WVWVZZAEJBKOCP-UYAOXDASSA-N 1 2 367.493 2.660 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccc(C)cc3)C[C@H]21 ZINC001221488755 1034812795 /nfs/dbraw/zinc/81/27/95/1034812795.db2.gz WVWVZZAEJBKOCP-UYAOXDASSA-N 1 2 367.493 2.660 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC001221538941 1034857777 /nfs/dbraw/zinc/85/77/77/1034857777.db2.gz HMYCJQLXUMRFAC-HBUWYVDXSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC001221538941 1034857783 /nfs/dbraw/zinc/85/77/83/1034857783.db2.gz HMYCJQLXUMRFAC-HBUWYVDXSA-N 1 2 364.848 2.550 20 30 FFEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccc(OC(C)=O)c(OCC)c2)CC1 ZINC001139009836 1034880443 /nfs/dbraw/zinc/88/04/43/1034880443.db2.gz WLIYCSJGQSOVTL-UHFFFAOYSA-N 1 2 374.437 2.679 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4noc5c4CCCC5)C[C@H]32)CCC1 ZINC001221611256 1034917902 /nfs/dbraw/zinc/91/79/02/1034917902.db2.gz UAAYVFWATBIHCE-VQIMIIECSA-N 1 2 367.493 2.780 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4noc5c4CCCC5)C[C@H]32)CCC1 ZINC001221611256 1034917911 /nfs/dbraw/zinc/91/79/11/1034917911.db2.gz UAAYVFWATBIHCE-VQIMIIECSA-N 1 2 367.493 2.780 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N1C[C@H]2CC[N@H+](Cc3ncc(C)s3)C[C@H]21 ZINC001221718410 1035008167 /nfs/dbraw/zinc/00/81/67/1035008167.db2.gz NSLPQGSOKBUEMQ-GPMSIDNRSA-N 1 2 363.527 2.713 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ncc(C)s3)C[C@H]21 ZINC001221718410 1035008178 /nfs/dbraw/zinc/00/81/78/1035008178.db2.gz NSLPQGSOKBUEMQ-GPMSIDNRSA-N 1 2 363.527 2.713 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCc3cccc(C)c3)C[C@H]21 ZINC001221782729 1035062916 /nfs/dbraw/zinc/06/29/16/1035062916.db2.gz KTWSFSDWNZAJLD-WOJBJXKFSA-N 1 2 369.509 2.500 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCc3cccc(C)c3)C[C@H]21 ZINC001221782729 1035062921 /nfs/dbraw/zinc/06/29/21/1035062921.db2.gz KTWSFSDWNZAJLD-WOJBJXKFSA-N 1 2 369.509 2.500 20 30 FFEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1ccc(C#N)c(F)c1 ZINC001139528645 1035149211 /nfs/dbraw/zinc/14/92/11/1035149211.db2.gz WPZXWDRLPZJJCP-LJQANCHMSA-N 1 2 369.444 2.710 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2c[nH]c3c2cccc3C#N)Cc2nnn(CC)c21 ZINC001139702223 1035202198 /nfs/dbraw/zinc/20/21/98/1035202198.db2.gz ZTFVHDQLOBSRFQ-INIZCTEOSA-N 1 2 364.453 2.787 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C#N)Cc2nnn(CC)c21 ZINC001139702223 1035202203 /nfs/dbraw/zinc/20/22/03/1035202203.db2.gz ZTFVHDQLOBSRFQ-INIZCTEOSA-N 1 2 364.453 2.787 20 30 FFEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1ccc(C#N)cc1F)C2 ZINC001140137580 1035355566 /nfs/dbraw/zinc/35/55/66/1035355566.db2.gz NXJFPORRIHYRFJ-UHFFFAOYSA-N 1 2 356.449 2.535 20 30 FFEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1ccc(C#N)cc1F)C2 ZINC001140137580 1035355570 /nfs/dbraw/zinc/35/55/70/1035355570.db2.gz NXJFPORRIHYRFJ-UHFFFAOYSA-N 1 2 356.449 2.535 20 30 FFEDLO CC(C)C(=O)N1CCC[C@]2(C1)C[N@H+](Cc1ccc(C#N)cc1F)CCO2 ZINC001140138824 1035356046 /nfs/dbraw/zinc/35/60/46/1035356046.db2.gz SOXCRHNPSOGKPL-HXUWFJFHSA-N 1 2 359.445 2.547 20 30 FFEDLO CC(C)C(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1ccc(C#N)cc1F)CCO2 ZINC001140138824 1035356051 /nfs/dbraw/zinc/35/60/51/1035356051.db2.gz SOXCRHNPSOGKPL-HXUWFJFHSA-N 1 2 359.445 2.547 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c(F)c1 ZINC001140138913 1035356551 /nfs/dbraw/zinc/35/65/51/1035356551.db2.gz VXMNWLTUCDLXLN-SJORKVTESA-N 1 2 356.426 2.643 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c(F)c1 ZINC001140138913 1035356557 /nfs/dbraw/zinc/35/65/57/1035356557.db2.gz VXMNWLTUCDLXLN-SJORKVTESA-N 1 2 356.426 2.643 20 30 FFEDLO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[N@H+](C)Cc1ccc(C#N)cc1F ZINC001140140690 1035357134 /nfs/dbraw/zinc/35/71/34/1035357134.db2.gz IPVAMROCPIZIKD-IRXDYDNUSA-N 1 2 363.433 2.763 20 30 FFEDLO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001140140690 1035357137 /nfs/dbraw/zinc/35/71/37/1035357137.db2.gz IPVAMROCPIZIKD-IRXDYDNUSA-N 1 2 363.433 2.763 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(OC)c(OCC3CC3)c2)CC1 ZINC001140491773 1035496224 /nfs/dbraw/zinc/49/62/24/1035496224.db2.gz KINYBIRXVWLKBT-UHFFFAOYSA-N 1 2 358.438 2.763 20 30 FFEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)c1 ZINC001140598898 1035697494 /nfs/dbraw/zinc/69/74/94/1035697494.db2.gz ITNBVYAFCJNECR-RBUKOAKNSA-N 1 2 366.852 2.982 20 30 FFEDLO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)c1 ZINC001140598898 1035697501 /nfs/dbraw/zinc/69/75/01/1035697501.db2.gz ITNBVYAFCJNECR-RBUKOAKNSA-N 1 2 366.852 2.982 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ncccc1C(F)(F)F ZINC001277254158 1035818000 /nfs/dbraw/zinc/81/80/00/1035818000.db2.gz QWMDWRXRZCDNGX-KRWDZBQOSA-N 1 2 351.372 2.691 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ncccc1C(F)(F)F ZINC001277254158 1035818015 /nfs/dbraw/zinc/81/80/15/1035818015.db2.gz QWMDWRXRZCDNGX-KRWDZBQOSA-N 1 2 351.372 2.691 20 30 FFEDLO COc1cc2c(cc1OC1CCN(c3cc(C#N)ccn3)CC1)C=[NH+]CC2 ZINC001228093690 1035927306 /nfs/dbraw/zinc/92/73/06/1035927306.db2.gz ZQCOWAGCNVIJKD-UHFFFAOYSA-N 1 2 362.433 2.985 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)c1 ZINC001232674668 1035931857 /nfs/dbraw/zinc/93/18/57/1035931857.db2.gz CIAKCVANRAQBFY-UHFFFAOYSA-N 1 2 363.465 2.936 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)c1 ZINC001232674668 1035931863 /nfs/dbraw/zinc/93/18/63/1035931863.db2.gz CIAKCVANRAQBFY-UHFFFAOYSA-N 1 2 363.465 2.936 20 30 FFEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)cnc1F)CC2 ZINC001277269963 1035940022 /nfs/dbraw/zinc/94/00/22/1035940022.db2.gz SFGWNTMFUWVZAI-HNNXBMFYSA-N 1 2 364.852 2.896 20 30 FFEDLO N#Cc1ccc(CN2Cc3c[nH+]cn3C[C@@H](COc3ccccn3)C2)s1 ZINC001232843417 1036100403 /nfs/dbraw/zinc/10/04/03/1036100403.db2.gz NTUZYCLRKHUERN-HNNXBMFYSA-N 1 2 365.462 2.922 20 30 FFEDLO C[C@@H]1C[N@H+](C2CN(Cc3ccc(Br)c(C#N)c3)C2)C[C@H](C)O1 ZINC001232897993 1036139809 /nfs/dbraw/zinc/13/98/09/1036139809.db2.gz WSSYUFGSQIWSOK-BETUJISGSA-N 1 2 364.287 2.614 20 30 FFEDLO C[C@@H]1C[N@@H+](C2CN(Cc3ccc(Br)c(C#N)c3)C2)C[C@H](C)O1 ZINC001232897993 1036139812 /nfs/dbraw/zinc/13/98/12/1036139812.db2.gz WSSYUFGSQIWSOK-BETUJISGSA-N 1 2 364.287 2.614 20 30 FFEDLO COC(=O)[C@@]1(NC(=O)OC(C)(C)C)CC[N@H+](Cc2ccc(C)cc2C#N)C1 ZINC001232968403 1036195123 /nfs/dbraw/zinc/19/51/23/1036195123.db2.gz IXMLIBMZZHXOQN-HXUWFJFHSA-N 1 2 373.453 2.509 20 30 FFEDLO COC(=O)[C@@]1(NC(=O)OC(C)(C)C)CC[N@@H+](Cc2ccc(C)cc2C#N)C1 ZINC001232968403 1036195128 /nfs/dbraw/zinc/19/51/28/1036195128.db2.gz IXMLIBMZZHXOQN-HXUWFJFHSA-N 1 2 373.453 2.509 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)c(O)c1 ZINC001233384306 1036583271 /nfs/dbraw/zinc/58/32/71/1036583271.db2.gz QLHRROAWMWUBBE-CEWLAPEOSA-N 1 2 365.433 2.607 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)c(O)c1 ZINC001233384306 1036583279 /nfs/dbraw/zinc/58/32/79/1036583279.db2.gz QLHRROAWMWUBBE-CEWLAPEOSA-N 1 2 365.433 2.607 20 30 FFEDLO C#CCOc1ccc(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000836614652 1036686883 /nfs/dbraw/zinc/68/68/83/1036686883.db2.gz OQZSBESEYXVQHE-KRWDZBQOSA-N 1 2 352.438 2.521 20 30 FFEDLO C[C@@H](c1nc(-c2ccco2)no1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001206949388 1036968042 /nfs/dbraw/zinc/96/80/42/1036968042.db2.gz BSARMOIOSVZOIQ-QLFBSQMISA-N 1 2 370.453 2.877 20 30 FFEDLO C[C@@H](c1nc(-c2ccco2)no1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001206949388 1036968060 /nfs/dbraw/zinc/96/80/60/1036968060.db2.gz BSARMOIOSVZOIQ-QLFBSQMISA-N 1 2 370.453 2.877 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2Cl)C[C@H]1C ZINC001206957756 1036986985 /nfs/dbraw/zinc/98/69/85/1036986985.db2.gz LKZXQSGCYGWACE-CXAGYDPISA-N 1 2 369.292 2.970 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2Cl)C[C@H]1C ZINC001206957756 1036986995 /nfs/dbraw/zinc/98/69/95/1036986995.db2.gz LKZXQSGCYGWACE-CXAGYDPISA-N 1 2 369.292 2.970 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2c1nc(N2CCCC2)c(C)c[nH+]1 ZINC001277926659 1037401870 /nfs/dbraw/zinc/40/18/70/1037401870.db2.gz CWGPVHLHCRZKEI-IAGOWNOFSA-N 1 2 355.486 2.531 20 30 FFEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3c(C)cc(Cl)nc3Cl)C2)OCC1=O ZINC001277505719 1037530117 /nfs/dbraw/zinc/53/01/17/1037530117.db2.gz BMLAKYAJLDOLIG-QGZVFWFLSA-N 1 2 370.280 2.686 20 30 FFEDLO C=CCN1C[C@]2(CC[N@H+](Cc3c(C)cc(Cl)nc3Cl)C2)OCC1=O ZINC001277505719 1037530123 /nfs/dbraw/zinc/53/01/23/1037530123.db2.gz BMLAKYAJLDOLIG-QGZVFWFLSA-N 1 2 370.280 2.686 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](OCC)C(C)C)C1 ZINC001207543340 1037535963 /nfs/dbraw/zinc/53/59/63/1037535963.db2.gz LRUDPOOISPBUIK-BPLDGKMQSA-N 1 2 361.324 2.783 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](OCC)C(C)C)C1 ZINC001207543340 1037535968 /nfs/dbraw/zinc/53/59/68/1037535968.db2.gz LRUDPOOISPBUIK-BPLDGKMQSA-N 1 2 361.324 2.783 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC2CCCC2)C1 ZINC001207579309 1037572034 /nfs/dbraw/zinc/57/20/34/1037572034.db2.gz WOVCBZBETOUEJR-IUODEOHRSA-N 1 2 359.308 2.538 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC2CCCC2)C1 ZINC001207579309 1037572050 /nfs/dbraw/zinc/57/20/50/1037572050.db2.gz WOVCBZBETOUEJR-IUODEOHRSA-N 1 2 359.308 2.538 20 30 FFEDLO N#Cc1cc(F)c(C[NH+]2CCC3(CC2)OC(=O)c2ncccc23)c(F)c1 ZINC001235664009 1037673015 /nfs/dbraw/zinc/67/30/15/1037673015.db2.gz NDEPWOBFSMRFBM-UHFFFAOYSA-N 1 2 355.344 2.893 20 30 FFEDLO CCOc1cc(C[NH+]2CCN(CCC#N)CC2)ccc1OC(=O)C(C)C ZINC001231558561 1037682563 /nfs/dbraw/zinc/68/25/63/1037682563.db2.gz NZRBDFKRVZONDZ-UHFFFAOYSA-N 1 2 359.470 2.678 20 30 FFEDLO COc1cc(C#N)ccc1CN(C)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001231620725 1037744519 /nfs/dbraw/zinc/74/45/19/1037744519.db2.gz MDNUCYYUZWVFGQ-NRFANRHFSA-N 1 2 365.477 2.900 20 30 FFEDLO COc1cc(C#N)ccc1CN(C)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001231620725 1037744539 /nfs/dbraw/zinc/74/45/39/1037744539.db2.gz MDNUCYYUZWVFGQ-NRFANRHFSA-N 1 2 365.477 2.900 20 30 FFEDLO C=CCOc1cccc(C[N@@H+]2CCc3onc(CN4CCOCC4)c3C2)c1 ZINC001231622722 1037746669 /nfs/dbraw/zinc/74/66/69/1037746669.db2.gz GBOBNSYFLLGWKQ-UHFFFAOYSA-N 1 2 369.465 2.630 20 30 FFEDLO C=CCOc1cccc(C[N@H+]2CCc3onc(CN4CCOCC4)c3C2)c1 ZINC001231622722 1037746688 /nfs/dbraw/zinc/74/66/88/1037746688.db2.gz GBOBNSYFLLGWKQ-UHFFFAOYSA-N 1 2 369.465 2.630 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001208129304 1038070902 /nfs/dbraw/zinc/07/09/02/1038070902.db2.gz RBNKPGFEVDNGGQ-OGWOLHLISA-N 1 2 365.905 2.900 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001208129304 1038070922 /nfs/dbraw/zinc/07/09/22/1038070922.db2.gz RBNKPGFEVDNGGQ-OGWOLHLISA-N 1 2 365.905 2.900 20 30 FFEDLO C=CCOC(=O)C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)OCC=C ZINC001255697503 1038133348 /nfs/dbraw/zinc/13/33/48/1038133348.db2.gz PPXAQJFPFXLSJH-IHRRRGAJSA-N 1 2 363.376 2.914 20 30 FFEDLO C=CCOC(=O)C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)OCC=C ZINC001255697504 1038133728 /nfs/dbraw/zinc/13/37/28/1038133728.db2.gz PPXAQJFPFXLSJH-MCIONIFRSA-N 1 2 363.376 2.914 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1Cc1ccc(CC)cc1O ZINC001236786377 1038267842 /nfs/dbraw/zinc/26/78/42/1038267842.db2.gz OQNTWORNHPFVBW-GOSISDBHSA-N 1 2 356.470 2.868 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1Cc1ccc(CC)cc1O ZINC001236786377 1038267851 /nfs/dbraw/zinc/26/78/51/1038267851.db2.gz OQNTWORNHPFVBW-GOSISDBHSA-N 1 2 356.470 2.868 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)cc1Br ZINC001236860776 1038315050 /nfs/dbraw/zinc/31/50/50/1038315050.db2.gz MZIWZDJTKVJCPA-AWEZNQCLSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3ncccn3)C2)cc1Br ZINC001236860776 1038315062 /nfs/dbraw/zinc/31/50/62/1038315062.db2.gz MZIWZDJTKVJCPA-AWEZNQCLSA-N 1 2 359.227 2.764 20 30 FFEDLO CCCC[N@H+](CCC#N)[C@@H]1C[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 ZINC001256272604 1038461604 /nfs/dbraw/zinc/46/16/04/1038461604.db2.gz CSEVXNNDBYEBQJ-HUUCEWRRSA-N 1 2 353.463 2.553 20 30 FFEDLO CCCC[N@@H+](CCC#N)[C@@H]1C[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 ZINC001256272604 1038461606 /nfs/dbraw/zinc/46/16/06/1038461606.db2.gz CSEVXNNDBYEBQJ-HUUCEWRRSA-N 1 2 353.463 2.553 20 30 FFEDLO N#Cc1ccc(Cl)c(CN2C[C@@H]3C[N@@H+](Cc4ccc[nH]4)C[C@H](C2)O3)c1 ZINC001278611608 1038782264 /nfs/dbraw/zinc/78/22/64/1038782264.db2.gz HINKDALXUQZIMH-HDICACEKSA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1ccc(Cl)c(CN2C[C@@H]3C[N@H+](Cc4ccc[nH]4)C[C@H](C2)O3)c1 ZINC001278611608 1038782280 /nfs/dbraw/zinc/78/22/80/1038782280.db2.gz HINKDALXUQZIMH-HDICACEKSA-N 1 2 356.857 2.625 20 30 FFEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OC ZINC001257800933 1038983169 /nfs/dbraw/zinc/98/31/69/1038983169.db2.gz QPPFQRBKGKSGDW-FTRWYGJKSA-N 1 2 364.486 2.711 20 30 FFEDLO COc1cc(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)ccc1C#N ZINC001279059795 1039065354 /nfs/dbraw/zinc/06/53/54/1039065354.db2.gz PNZFYUWBPYEFTQ-UHFFFAOYSA-N 1 2 367.371 2.810 20 30 FFEDLO COc1cc(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)ccc1C#N ZINC001279059795 1039065370 /nfs/dbraw/zinc/06/53/70/1039065370.db2.gz PNZFYUWBPYEFTQ-UHFFFAOYSA-N 1 2 367.371 2.810 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cn3cccc(C)c3n1)CCC2 ZINC001209736230 1039172371 /nfs/dbraw/zinc/17/23/71/1039172371.db2.gz PPWXCCFYVBFTBM-UHFFFAOYSA-N 1 2 351.454 2.948 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cn3cccc(C)c3n1)CCC2 ZINC001209736230 1039172379 /nfs/dbraw/zinc/17/23/79/1039172379.db2.gz PPWXCCFYVBFTBM-UHFFFAOYSA-N 1 2 351.454 2.948 20 30 FFEDLO COCCOC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(C#N)c(F)c1)C2 ZINC001278638149 1039387603 /nfs/dbraw/zinc/38/76/03/1039387603.db2.gz LNFHPZUSKYKPLO-HXUWFJFHSA-N 1 2 361.461 2.606 20 30 FFEDLO COCCOC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(C#N)c(F)c1)C2 ZINC001278638149 1039387606 /nfs/dbraw/zinc/38/76/06/1039387606.db2.gz LNFHPZUSKYKPLO-HXUWFJFHSA-N 1 2 361.461 2.606 20 30 FFEDLO C=CCCNC(=S)N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC001247643797 1039859963 /nfs/dbraw/zinc/85/99/63/1039859963.db2.gz KAYHIQMVYNZXIB-UHFFFAOYSA-N 1 2 363.502 2.857 20 30 FFEDLO C=CCCCNC(=S)N1CC2(C1)CC[N@@H+](Cc1csc(C)n1)C2 ZINC001247730405 1039920255 /nfs/dbraw/zinc/92/02/55/1039920255.db2.gz RLJBVNVOBSWZGY-UHFFFAOYSA-N 1 2 350.557 2.800 20 30 FFEDLO C=CCCCNC(=S)N1CC2(C1)CC[N@H+](Cc1csc(C)n1)C2 ZINC001247730405 1039920262 /nfs/dbraw/zinc/92/02/62/1039920262.db2.gz RLJBVNVOBSWZGY-UHFFFAOYSA-N 1 2 350.557 2.800 20 30 FFEDLO COCC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001211146241 1039964578 /nfs/dbraw/zinc/96/45/78/1039964578.db2.gz YOGCRJJXCBMCIN-FRQCXROJSA-N 1 2 362.901 2.801 20 30 FFEDLO COCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001211146241 1039964590 /nfs/dbraw/zinc/96/45/90/1039964590.db2.gz YOGCRJJXCBMCIN-FRQCXROJSA-N 1 2 362.901 2.801 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1C ZINC001211425692 1040181840 /nfs/dbraw/zinc/18/18/40/1040181840.db2.gz PHVPTPDELQAZMX-GPMSIDNRSA-N 1 2 360.502 2.526 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1C ZINC001211425692 1040181851 /nfs/dbraw/zinc/18/18/51/1040181851.db2.gz PHVPTPDELQAZMX-GPMSIDNRSA-N 1 2 360.502 2.526 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](C[C@H](O)CCCCC)Cc2nnn(CC3CC3)c21 ZINC001253529383 1040220755 /nfs/dbraw/zinc/22/07/55/1040220755.db2.gz RFWDJVGDDIGUAU-QZTJIDSGSA-N 1 2 362.518 2.731 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](C[C@H](O)CCCCC)Cc2nnn(CC3CC3)c21 ZINC001253529383 1040220757 /nfs/dbraw/zinc/22/07/57/1040220757.db2.gz RFWDJVGDDIGUAU-QZTJIDSGSA-N 1 2 362.518 2.731 20 30 FFEDLO C=C[C@@H](O)CNc1ccccc1C[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253600011 1040253146 /nfs/dbraw/zinc/25/31/46/1040253146.db2.gz VWAUJKICRZAFPU-QGZVFWFLSA-N 1 2 361.486 2.698 20 30 FFEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001248748313 1040392060 /nfs/dbraw/zinc/39/20/60/1040392060.db2.gz FLONCXYSDGARNQ-SFHVURJKSA-N 1 2 359.470 2.846 20 30 FFEDLO CCc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001248748313 1040392068 /nfs/dbraw/zinc/39/20/68/1040392068.db2.gz FLONCXYSDGARNQ-SFHVURJKSA-N 1 2 359.470 2.846 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1OC ZINC001213319849 1040443629 /nfs/dbraw/zinc/44/36/29/1040443629.db2.gz DXHCGMSSKIFJLV-CGTJXYLNSA-N 1 2 362.518 2.556 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1OC ZINC001213319849 1040443637 /nfs/dbraw/zinc/44/36/37/1040443637.db2.gz DXHCGMSSKIFJLV-CGTJXYLNSA-N 1 2 362.518 2.556 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2OC)CC1 ZINC001213392420 1040504449 /nfs/dbraw/zinc/50/44/49/1040504449.db2.gz BPCILHHJNJBHLM-RTBURBONSA-N 1 2 353.466 2.620 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2OC)CC1 ZINC001213392420 1040504468 /nfs/dbraw/zinc/50/44/68/1040504468.db2.gz BPCILHHJNJBHLM-RTBURBONSA-N 1 2 353.466 2.620 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2OC)CC1 ZINC001213393088 1040507543 /nfs/dbraw/zinc/50/75/43/1040507543.db2.gz VQYPQETUVIVEHU-RTBURBONSA-N 1 2 371.456 2.759 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2OC)CC1 ZINC001213393088 1040507561 /nfs/dbraw/zinc/50/75/61/1040507561.db2.gz VQYPQETUVIVEHU-RTBURBONSA-N 1 2 371.456 2.759 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3oc(CC)nc3C)C[C@H]2OC)CC1 ZINC001213394891 1040509766 /nfs/dbraw/zinc/50/97/66/1040509766.db2.gz CMYJEYBCJKRRQR-NVXWUHKLSA-N 1 2 361.486 2.607 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3oc(CC)nc3C)C[C@H]2OC)CC1 ZINC001213394891 1040509778 /nfs/dbraw/zinc/50/97/78/1040509778.db2.gz CMYJEYBCJKRRQR-NVXWUHKLSA-N 1 2 361.486 2.607 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)c1OC ZINC001248920041 1040510724 /nfs/dbraw/zinc/51/07/24/1040510724.db2.gz BMTCLJSRBYAQOG-UHFFFAOYSA-N 1 2 365.433 2.676 20 30 FFEDLO Cc1nsc(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)c1C#N ZINC001213478057 1040586369 /nfs/dbraw/zinc/58/63/69/1040586369.db2.gz NPGUNQOPQHFBGH-UHFFFAOYSA-N 1 2 362.430 2.917 20 30 FFEDLO N#Cc1cccc(N)c1Nc1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001213487156 1040603569 /nfs/dbraw/zinc/60/35/69/1040603569.db2.gz KAAPUALZSBOJRK-UHFFFAOYSA-N 1 2 356.401 2.734 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1)[C@@H](C)CC ZINC001254230565 1040625643 /nfs/dbraw/zinc/62/56/43/1040625643.db2.gz FAKZRKILDOFYGO-DZKIICNBSA-N 1 2 368.474 2.646 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)CCC1(C)CC1 ZINC001213666603 1040776629 /nfs/dbraw/zinc/77/66/29/1040776629.db2.gz BJDJFYKVJGZHOI-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)CCC1(C)CC1 ZINC001213666603 1040776637 /nfs/dbraw/zinc/77/66/37/1040776637.db2.gz BJDJFYKVJGZHOI-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H](CC(C)C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001213691856 1040799382 /nfs/dbraw/zinc/79/93/82/1040799382.db2.gz LSNYLBNOTMSYNS-PWRODBHTSA-N 1 2 356.510 2.926 20 30 FFEDLO CC[C@@H](CC(C)C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001213691856 1040799400 /nfs/dbraw/zinc/79/94/00/1040799400.db2.gz LSNYLBNOTMSYNS-PWRODBHTSA-N 1 2 356.510 2.926 20 30 FFEDLO COC(=O)c1ccc(N2CC[NH+](Cc3cccc(C#N)c3F)CC2)cc1 ZINC001249688130 1040945396 /nfs/dbraw/zinc/94/53/96/1040945396.db2.gz ZOOBUWMFJZBTCF-UHFFFAOYSA-N 1 2 353.397 2.806 20 30 FFEDLO CSc1nc(CN2CC3(CC[N@@H+]3Cc3scnc3C)C2)ccc1C#N ZINC001278839234 1041129117 /nfs/dbraw/zinc/12/91/17/1041129117.db2.gz KMIQAFROSYARMG-UHFFFAOYSA-N 1 2 371.535 2.900 20 30 FFEDLO CSc1nc(CN2CC3(CC[N@H+]3Cc3scnc3C)C2)ccc1C#N ZINC001278839234 1041129124 /nfs/dbraw/zinc/12/91/24/1041129124.db2.gz KMIQAFROSYARMG-UHFFFAOYSA-N 1 2 371.535 2.900 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC001215696837 1041862287 /nfs/dbraw/zinc/86/22/87/1041862287.db2.gz KRZOOBMPLMXEAK-UKRRQHHQSA-N 1 2 358.442 2.868 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](Cc3ccccc3)CCO2)nnc1N1CC[C@H](C)C1 ZINC001262953993 1041986323 /nfs/dbraw/zinc/98/63/23/1041986323.db2.gz JCCNFLMCWQBYSF-PKOBYXMFSA-N 1 2 367.497 2.884 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](Cc3ccccc3)CCO2)nnc1N1CC[C@H](C)C1 ZINC001262953993 1041986331 /nfs/dbraw/zinc/98/63/31/1041986331.db2.gz JCCNFLMCWQBYSF-PKOBYXMFSA-N 1 2 367.497 2.884 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H]2CSC[C@]2(C)C1 ZINC001263025240 1042043013 /nfs/dbraw/zinc/04/30/13/1042043013.db2.gz XHYWCCZMTBNIOC-APWZRJJASA-N 1 2 374.558 2.580 20 30 FFEDLO C=CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C)o2)C1)c1ccccc1 ZINC001216806361 1042128517 /nfs/dbraw/zinc/12/85/17/1042128517.db2.gz LWCUBLRRGOATSW-ZTFGCOKTSA-N 1 2 354.454 2.674 20 30 FFEDLO C=C(C)Cn1c([C@H](C)SC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001263327636 1042243243 /nfs/dbraw/zinc/24/32/43/1042243243.db2.gz RIRUZJDWRIDPBO-AWEZNQCLSA-N 1 2 373.530 2.703 20 30 FFEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCCO1 ZINC001263603931 1042397076 /nfs/dbraw/zinc/39/70/76/1042397076.db2.gz QDGNYGPUHKWLES-MSOLQXFVSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCCO1 ZINC001263603931 1042397078 /nfs/dbraw/zinc/39/70/78/1042397078.db2.gz QDGNYGPUHKWLES-MSOLQXFVSA-N 1 2 372.517 2.744 20 30 FFEDLO C=CCN(c1nnc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC1CC1)C1CC1 ZINC001263752595 1042466878 /nfs/dbraw/zinc/46/68/78/1042466878.db2.gz MMAFOPNRQJUITP-ZWKOTPCHSA-N 1 2 357.502 2.769 20 30 FFEDLO C=CCN(c1nnc([C@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC1CC1)C1CC1 ZINC001263752595 1042466879 /nfs/dbraw/zinc/46/68/79/1042466879.db2.gz MMAFOPNRQJUITP-ZWKOTPCHSA-N 1 2 357.502 2.769 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](CCS(C)(=O)=O)[C@@H]2CC)CCCCC1 ZINC001264071457 1042613376 /nfs/dbraw/zinc/61/33/76/1042613376.db2.gz GSTIDRUDXBCLBV-DLBZAZTESA-N 1 2 370.559 2.527 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CCS(C)(=O)=O)[C@@H]2CC)CCCCC1 ZINC001264071457 1042613379 /nfs/dbraw/zinc/61/33/79/1042613379.db2.gz GSTIDRUDXBCLBV-DLBZAZTESA-N 1 2 370.559 2.527 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C(C)C)o3)CC[C@@H]2C1 ZINC001264094483 1042622526 /nfs/dbraw/zinc/62/25/26/1042622526.db2.gz JKKZNORBLVMROC-SJORKVTESA-N 1 2 358.486 2.667 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C(C)C)o3)CC[C@@H]2C1 ZINC001264094483 1042622527 /nfs/dbraw/zinc/62/25/27/1042622527.db2.gz JKKZNORBLVMROC-SJORKVTESA-N 1 2 358.486 2.667 20 30 FFEDLO COc1ccc(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c(Cl)c1 ZINC001279323237 1043000584 /nfs/dbraw/zinc/00/05/84/1043000584.db2.gz ZOGLIORQHYBBNN-UHFFFAOYSA-N 1 2 370.884 2.877 20 30 FFEDLO COc1ccc(CN2CC3(CC[N@@H+]3Cc3scnc3C)C2)c(C#N)c1 ZINC001279405595 1043063929 /nfs/dbraw/zinc/06/39/29/1043063929.db2.gz WNFMAUJTKHOVIU-UHFFFAOYSA-N 1 2 354.479 2.792 20 30 FFEDLO COc1ccc(CN2CC3(CC[N@H+]3Cc3scnc3C)C2)c(C#N)c1 ZINC001279405595 1043063934 /nfs/dbraw/zinc/06/39/34/1043063934.db2.gz WNFMAUJTKHOVIU-UHFFFAOYSA-N 1 2 354.479 2.792 20 30 FFEDLO C#CC[NH+]1CCN(Cc2c(Br)cccc2OC(F)F)CC1 ZINC001237253143 1043075802 /nfs/dbraw/zinc/07/58/02/1043075802.db2.gz MVYGFPHNYYGAHB-UHFFFAOYSA-N 1 2 359.214 2.801 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cc(F)c(F)cc4F)C3)C2)cc1C#N ZINC001279429053 1043103772 /nfs/dbraw/zinc/10/37/72/1043103772.db2.gz SCRXMEUVBHEUET-UHFFFAOYSA-N 1 2 360.383 2.632 20 30 FFEDLO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3cc4ccccn4n3)CC2)cc1 ZINC001237454511 1043175793 /nfs/dbraw/zinc/17/57/93/1043175793.db2.gz WXOMZMJKMRBLJU-UHFFFAOYSA-N 1 2 374.448 2.992 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C#N)c2)C[C@H]1O ZINC001237750879 1043339518 /nfs/dbraw/zinc/33/95/18/1043339518.db2.gz BBKQXTHMAWOLKH-HZPDHXFCSA-N 1 2 365.861 2.672 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C[C@H]1O ZINC001237750879 1043339527 /nfs/dbraw/zinc/33/95/27/1043339527.db2.gz BBKQXTHMAWOLKH-HZPDHXFCSA-N 1 2 365.861 2.672 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC001278184451 1043518028 /nfs/dbraw/zinc/51/80/28/1043518028.db2.gz MPZDLCLEZOURRL-OVPLUVTGSA-N 1 2 371.308 2.799 20 30 FFEDLO N#Cc1ccc(C[NH+]2CC3(C2)CCN(C(=O)c2cccnc2)C3)c(Cl)c1 ZINC001238082588 1043523276 /nfs/dbraw/zinc/52/32/76/1043523276.db2.gz JXASKPGFOVJAPI-UHFFFAOYSA-N 1 2 366.852 2.955 20 30 FFEDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc(C#N)c2Cl)C[C@H]1C(C)(C)C ZINC001309832498 1043545088 /nfs/dbraw/zinc/54/50/88/1043545088.db2.gz IILGFUSHMSKMTM-AWEZNQCLSA-N 1 2 355.891 2.562 20 30 FFEDLO C[N@H+]1CCN(S(=O)(=O)c2cccc(C#N)c2Cl)C[C@H]1C(C)(C)C ZINC001309832498 1043545103 /nfs/dbraw/zinc/54/51/03/1043545103.db2.gz IILGFUSHMSKMTM-AWEZNQCLSA-N 1 2 355.891 2.562 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1Cc1c[nH+]ccc1OC ZINC001538985720 1070531053 /nfs/dbraw/zinc/53/10/53/1070531053.db2.gz CHDJVFHPPWZQCG-CYBMUJFWSA-N 1 2 351.410 2.756 20 30 FFEDLO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@H]2C[C@@]21C(=O)Nc1cn[nH]c1 ZINC001279994148 1044057429 /nfs/dbraw/zinc/05/74/29/1044057429.db2.gz IRRQPHTWOWULFN-UZLBHIALSA-N 1 2 352.438 2.968 20 30 FFEDLO C=C(C)COc1ccccc1C[N@H+]1CC[C@@H]2C[C@@]21C(=O)Nc1cn[nH]c1 ZINC001279994148 1044057441 /nfs/dbraw/zinc/05/74/41/1044057441.db2.gz IRRQPHTWOWULFN-UZLBHIALSA-N 1 2 352.438 2.968 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)[C@@]13C[C@@H]1C[N@H+](Cc1ncco1)C3)CCCC2 ZINC001280053090 1044141444 /nfs/dbraw/zinc/14/14/44/1044141444.db2.gz QWGJBHDJWFCXTH-CWTRNNRKSA-N 1 2 368.462 2.947 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)[C@@]13C[C@@H]1C[N@@H+](Cc1ncco1)C3)CCCC2 ZINC001280053090 1044141450 /nfs/dbraw/zinc/14/14/50/1044141450.db2.gz QWGJBHDJWFCXTH-CWTRNNRKSA-N 1 2 368.462 2.947 20 30 FFEDLO CC1=C[C@@H](C)[C@@H](C[N@@H+]2Cc3[nH]nc(C(=O)N4CC(CC#N)C4)c3C2)CC1 ZINC001280232566 1044434656 /nfs/dbraw/zinc/43/46/56/1044434656.db2.gz WOQFVLDRDOYNBP-GDBMZVCRSA-N 1 2 353.470 2.703 20 30 FFEDLO CC1=C[C@@H](C)[C@@H](C[N@H+]2Cc3[nH]nc(C(=O)N4CC(CC#N)C4)c3C2)CC1 ZINC001280232566 1044434663 /nfs/dbraw/zinc/43/46/63/1044434663.db2.gz WOQFVLDRDOYNBP-GDBMZVCRSA-N 1 2 353.470 2.703 20 30 FFEDLO Cc1ccc(C#N)c(NC(=O)[C@H]2CCn3nccc3C[N@H+]2CC(C)C)c1 ZINC001280245779 1044462083 /nfs/dbraw/zinc/46/20/83/1044462083.db2.gz UMQBWASOEREJRD-LJQANCHMSA-N 1 2 351.454 2.932 20 30 FFEDLO Cc1ccc(C#N)c(NC(=O)[C@H]2CCn3nccc3C[N@@H+]2CC(C)C)c1 ZINC001280245779 1044462084 /nfs/dbraw/zinc/46/20/84/1044462084.db2.gz UMQBWASOEREJRD-LJQANCHMSA-N 1 2 351.454 2.932 20 30 FFEDLO COc1c(Cl)cccc1C[NH+]1CC2(C[C@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001280297260 1044564768 /nfs/dbraw/zinc/56/47/68/1044564768.db2.gz JFCSUDGCUVUDQU-HNNXBMFYSA-N 1 2 359.857 2.543 20 30 FFEDLO CC(C)(C)NC(=O)[C@H]1CCSC12C[NH+](Cc1ccc(C#N)cc1F)C2 ZINC001280323381 1044605547 /nfs/dbraw/zinc/60/55/47/1044605547.db2.gz VHEOICKNYFYTGL-OAHLLOKOSA-N 1 2 361.486 2.920 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(F)c(F)c2)[C@@H]1C ZINC001316782940 1044951036 /nfs/dbraw/zinc/95/10/36/1044951036.db2.gz IASDWSSBSQXSPQ-DYVFJYSZSA-N 1 2 365.424 2.839 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(F)c(F)c2)[C@@H]1C ZINC001316782940 1044951050 /nfs/dbraw/zinc/95/10/50/1044951050.db2.gz IASDWSSBSQXSPQ-DYVFJYSZSA-N 1 2 365.424 2.839 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC3CCCCC3)[C@@H]2C)C1 ZINC001316791503 1044990132 /nfs/dbraw/zinc/99/01/32/1044990132.db2.gz PRNVIPLPWDWKPM-AEFFLSMTSA-N 1 2 361.530 2.618 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC3CCCCC3)[C@@H]2C)C1 ZINC001316791503 1044990144 /nfs/dbraw/zinc/99/01/44/1044990144.db2.gz PRNVIPLPWDWKPM-AEFFLSMTSA-N 1 2 361.530 2.618 20 30 FFEDLO C=CCn1cnn(C[N@@H+]2C[C@@H](C(=O)NCCCC)CC[C@H]2C)c1=S ZINC001318015006 1045192946 /nfs/dbraw/zinc/19/29/46/1045192946.db2.gz XQMGSULIPHPPNA-CABCVRRESA-N 1 2 351.520 2.574 20 30 FFEDLO C=CCn1cnn(C[N@H+]2C[C@@H](C(=O)NCCCC)CC[C@H]2C)c1=S ZINC001318015006 1045192952 /nfs/dbraw/zinc/19/29/52/1045192952.db2.gz XQMGSULIPHPPNA-CABCVRRESA-N 1 2 351.520 2.574 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)C)CC1 ZINC001539437482 1070637945 /nfs/dbraw/zinc/63/79/45/1070637945.db2.gz BOVNZMJRJFTSIB-UHFFFAOYSA-N 1 2 362.481 2.618 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2Cc2ccc(Cl)cc2)CC1 ZINC001539429579 1070635611 /nfs/dbraw/zinc/63/56/11/1070635611.db2.gz AWEXJERDRPKUNZ-UHFFFAOYSA-N 1 2 357.889 2.858 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CCC(C)C)CC1 ZINC001539444299 1070639384 /nfs/dbraw/zinc/63/93/84/1070639384.db2.gz MIUFLSPHVUIYKT-UHFFFAOYSA-N 1 2 367.497 2.755 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)C1 ZINC001320320082 1045389412 /nfs/dbraw/zinc/38/94/12/1045389412.db2.gz DDHCOFGQKUQOKD-QGZVFWFLSA-N 1 2 358.417 2.535 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)C1 ZINC001320320082 1045389417 /nfs/dbraw/zinc/38/94/17/1045389417.db2.gz DDHCOFGQKUQOKD-QGZVFWFLSA-N 1 2 358.417 2.535 20 30 FFEDLO Cc1cn2cc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)ccc2[nH+]1 ZINC001321436831 1045663811 /nfs/dbraw/zinc/66/38/11/1045663811.db2.gz AIKRPTVTZUKKKV-HNNXBMFYSA-N 1 2 359.389 2.506 20 30 FFEDLO C#CCCCCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001282728198 1046132890 /nfs/dbraw/zinc/13/28/90/1046132890.db2.gz KBALEZFHGXDSQH-MANSERQUSA-N 1 2 370.497 2.666 20 30 FFEDLO C#CC[N@@H+](CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)CC1CC1 ZINC001322949182 1046282907 /nfs/dbraw/zinc/28/29/07/1046282907.db2.gz WWOHZAGPAWQHHH-UHFFFAOYSA-N 1 2 350.344 2.865 20 30 FFEDLO C#CC[N@H+](CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)CC1CC1 ZINC001322949182 1046282911 /nfs/dbraw/zinc/28/29/11/1046282911.db2.gz WWOHZAGPAWQHHH-UHFFFAOYSA-N 1 2 350.344 2.865 20 30 FFEDLO CN(C)C(=O)COc1ccc(C(=O)/C=C/c2ccc[nH+]c2N(C)C)cc1 ZINC001323086704 1046340399 /nfs/dbraw/zinc/34/03/99/1046340399.db2.gz HNQZKLDSDJSRAO-FMIVXFBMSA-N 1 2 353.422 2.511 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2sc(C)cc2C(=O)OCC)C1 ZINC001325227455 1046426183 /nfs/dbraw/zinc/42/61/83/1046426183.db2.gz FMNJLXDEXTYFJK-KGLIPLIRSA-N 1 2 366.483 2.837 20 30 FFEDLO C=CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc(C)cc2C(=O)OCC)C1 ZINC001325227455 1046426187 /nfs/dbraw/zinc/42/61/87/1046426187.db2.gz FMNJLXDEXTYFJK-KGLIPLIRSA-N 1 2 366.483 2.837 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001285244707 1046774406 /nfs/dbraw/zinc/77/44/06/1046774406.db2.gz UMMALDVYWKWKOF-CLCXKQKWSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001285244707 1046774416 /nfs/dbraw/zinc/77/44/16/1046774416.db2.gz UMMALDVYWKWKOF-CLCXKQKWSA-N 1 2 358.486 2.661 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CC2CC(F)(F)C2)CC1 ZINC001286471386 1047121192 /nfs/dbraw/zinc/12/11/92/1047121192.db2.gz JJJFLWIEHYVQQJ-CQSZACIVSA-N 1 2 351.445 2.592 20 30 FFEDLO C=C[C@@H](COC)NC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC001327030481 1047166312 /nfs/dbraw/zinc/16/63/12/1047166312.db2.gz BLZRDCAGASHUNL-WMZOPIPTSA-N 1 2 361.486 2.502 20 30 FFEDLO C=C[C@@H](COC)NC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC001327030481 1047166321 /nfs/dbraw/zinc/16/63/21/1047166321.db2.gz BLZRDCAGASHUNL-WMZOPIPTSA-N 1 2 361.486 2.502 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3cc(C#N)ccc3F)C2)c1 ZINC001287924151 1047375227 /nfs/dbraw/zinc/37/52/27/1047375227.db2.gz GNUNJKXSUDTKQT-GOSISDBHSA-N 1 2 367.424 2.637 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3cc(C#N)ccc3F)C2)c1 ZINC001287924151 1047375238 /nfs/dbraw/zinc/37/52/38/1047375238.db2.gz GNUNJKXSUDTKQT-GOSISDBHSA-N 1 2 367.424 2.637 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001289820960 1047750140 /nfs/dbraw/zinc/75/01/40/1047750140.db2.gz PEICMQNFMHQUOZ-SPYBWZPUSA-N 1 2 366.465 2.838 20 30 FFEDLO Cc1cccc(CCCn2c(C3CC3)nnc2N2CC[C@@](F)(C#N)C2)[nH+]1 ZINC001290010365 1047808965 /nfs/dbraw/zinc/80/89/65/1047808965.db2.gz TZYJFIRZJOZVCC-LJQANCHMSA-N 1 2 354.433 2.934 20 30 FFEDLO Cc1cc(C[N@@H+]2CCCN(c3cc(C)c([N+](=O)[O-])c(C#N)c3)CC2)no1 ZINC001327642975 1047979782 /nfs/dbraw/zinc/97/97/82/1047979782.db2.gz MVGNNCKKGNUJMO-UHFFFAOYSA-N 1 2 355.398 2.784 20 30 FFEDLO Cc1cc(C[N@H+]2CCCN(c3cc(C)c([N+](=O)[O-])c(C#N)c3)CC2)no1 ZINC001327642975 1047979788 /nfs/dbraw/zinc/97/97/88/1047979788.db2.gz MVGNNCKKGNUJMO-UHFFFAOYSA-N 1 2 355.398 2.784 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=C)Br ZINC001328764512 1048456420 /nfs/dbraw/zinc/45/64/20/1048456420.db2.gz BKJCZHKYPWEAET-PMPSAXMXSA-N 1 2 371.319 2.799 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC(=C)Br ZINC001328764512 1048456427 /nfs/dbraw/zinc/45/64/27/1048456427.db2.gz BKJCZHKYPWEAET-PMPSAXMXSA-N 1 2 371.319 2.799 20 30 FFEDLO CC(C)(C)OC(=O)Nc1ccc(C[NH+]2CCN(C(=O)CC#N)CC2)cc1 ZINC001332718135 1048526338 /nfs/dbraw/zinc/52/63/38/1048526338.db2.gz OSLBRCZTCWMVQU-UHFFFAOYSA-N 1 2 358.442 2.591 20 30 FFEDLO C#CCCCCCC(=O)N(C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001333574774 1048983572 /nfs/dbraw/zinc/98/35/72/1048983572.db2.gz GEXHMZQAFHVDNO-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO C#CCCCCCC(=O)N(C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001333574774 1048983586 /nfs/dbraw/zinc/98/35/86/1048983586.db2.gz GEXHMZQAFHVDNO-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CCCN(C(=O)Nc3ccc4[nH+]ccn4c3)C2)nc1 ZINC001334105599 1049251414 /nfs/dbraw/zinc/25/14/14/1049251414.db2.gz KVCRAJJYZMIBRV-OAHLLOKOSA-N 1 2 361.409 2.709 20 30 FFEDLO [NH3+][C@@H](CC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F)C(F)F ZINC001341809388 1050424074 /nfs/dbraw/zinc/42/40/74/1050424074.db2.gz GOVQQUUWJWWIAF-OIBJUYFYSA-N 1 2 362.245 2.990 20 30 FFEDLO C=C(C)Cn1c(N(C)[C@H](C)c2ccccc2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001341841446 1050452169 /nfs/dbraw/zinc/45/21/69/1050452169.db2.gz ZCQBSEXHHREGCV-PLMTUMEDSA-N 1 2 369.513 2.963 20 30 FFEDLO C=C(C)Cn1c(N(C)[C@H](C)c2ccccc2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001341841446 1050452179 /nfs/dbraw/zinc/45/21/79/1050452179.db2.gz ZCQBSEXHHREGCV-PLMTUMEDSA-N 1 2 369.513 2.963 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(CCOC)Cc1ccco1 ZINC001341853214 1050464137 /nfs/dbraw/zinc/46/41/37/1050464137.db2.gz ITGJHPMPHDUVIX-UHFFFAOYSA-N 1 2 359.474 2.696 20 30 FFEDLO C=CCn1c(-c2ccc(C[NH+]3CCOCC3)cn2)nnc1N(CC)CCC ZINC001342055905 1050654242 /nfs/dbraw/zinc/65/42/42/1050654242.db2.gz MWKHISWXJTWDML-UHFFFAOYSA-N 1 2 370.501 2.595 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001342247051 1050837848 /nfs/dbraw/zinc/83/78/48/1050837848.db2.gz HBAASYAMHOQZQB-XLIONFOSSA-N 1 2 372.517 2.766 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001342247051 1050837851 /nfs/dbraw/zinc/83/78/51/1050837851.db2.gz HBAASYAMHOQZQB-XLIONFOSSA-N 1 2 372.517 2.766 20 30 FFEDLO CCOCCCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H](CC#N)C1 ZINC001342366191 1050959805 /nfs/dbraw/zinc/95/98/05/1050959805.db2.gz ZOSCWLHUHQVALM-GOSISDBHSA-N 1 2 374.533 2.821 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 ZINC001340594687 1050979602 /nfs/dbraw/zinc/97/96/02/1050979602.db2.gz RQRUSFJQZTXZQP-HNNXBMFYSA-N 1 2 366.469 2.994 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC(=C)C ZINC001343000150 1051616315 /nfs/dbraw/zinc/61/63/15/1051616315.db2.gz QXQFPQDXGIWMIQ-QRVBRYPASA-N 1 2 369.513 2.772 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC(=C)C ZINC001343000150 1051616321 /nfs/dbraw/zinc/61/63/21/1051616321.db2.gz QXQFPQDXGIWMIQ-QRVBRYPASA-N 1 2 369.513 2.772 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC(OC(C)C)CC3)n2CC)CC1 ZINC001341334798 1051690177 /nfs/dbraw/zinc/69/01/77/1051690177.db2.gz ZRMRJXZHWJJPKZ-UHFFFAOYSA-N 1 2 359.518 2.504 20 30 FFEDLO C[C@@](O)(C[NH+]1CCN(c2ccccc2C#N)CC1)C(F)(F)C(F)(F)F ZINC001307446124 1052308435 /nfs/dbraw/zinc/30/84/35/1052308435.db2.gz NTPYQUXWDNIXON-CQSZACIVSA-N 1 2 363.330 2.629 20 30 FFEDLO C#CC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C)C3)CC1 ZINC001307868256 1052359598 /nfs/dbraw/zinc/35/95/98/1052359598.db2.gz AMCUBEDUNWOXKQ-CYBMUJFWSA-N 1 2 374.506 2.943 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC[N@@H+]2C)n1C[C@@H]1CCCO1 ZINC001345322950 1052385401 /nfs/dbraw/zinc/38/54/01/1052385401.db2.gz WANUWFPJUMGJRW-ROUUACIJSA-N 1 2 374.533 2.990 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC[N@H+]2C)n1C[C@@H]1CCCO1 ZINC001345322950 1052385406 /nfs/dbraw/zinc/38/54/06/1052385406.db2.gz WANUWFPJUMGJRW-ROUUACIJSA-N 1 2 374.533 2.990 20 30 FFEDLO C=C(C)Cn1c([C@H](Cc2c[nH]c[nH+]2)NC(C)=O)nnc1N(CC)[C@H](C)CC ZINC001343748892 1052400737 /nfs/dbraw/zinc/40/07/37/1052400737.db2.gz AVYFDYQIIJYINX-PBHICJAKSA-N 1 2 373.505 2.622 20 30 FFEDLO C=C(C)Cn1c([C@H](Cc2c[nH+]c[nH]2)NC(C)=O)nnc1N(CC)[C@H](C)CC ZINC001343748892 1052400741 /nfs/dbraw/zinc/40/07/41/1052400741.db2.gz AVYFDYQIIJYINX-PBHICJAKSA-N 1 2 373.505 2.622 20 30 FFEDLO COC(=O)C1([C@]2(O)CCC[N@H+](CC#Cc3ccccc3Cl)C2)CCC1 ZINC001308108361 1052408533 /nfs/dbraw/zinc/40/85/33/1052408533.db2.gz CDYLVSGDOFLNFQ-FQEVSTJZSA-N 1 2 361.869 2.862 20 30 FFEDLO COC(=O)C1([C@]2(O)CCC[N@@H+](CC#Cc3ccccc3Cl)C2)CCC1 ZINC001308108361 1052408540 /nfs/dbraw/zinc/40/85/40/1052408540.db2.gz CDYLVSGDOFLNFQ-FQEVSTJZSA-N 1 2 361.869 2.862 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001343784426 1052418565 /nfs/dbraw/zinc/41/85/65/1052418565.db2.gz WWLUAXIRBSSQMB-ZWKOTPCHSA-N 1 2 372.517 2.766 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001343784426 1052418568 /nfs/dbraw/zinc/41/85/68/1052418568.db2.gz WWLUAXIRBSSQMB-ZWKOTPCHSA-N 1 2 372.517 2.766 20 30 FFEDLO C=CCN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@@H]1CCCCO1 ZINC001345791958 1052613924 /nfs/dbraw/zinc/61/39/24/1052613924.db2.gz IRSZUFQBGPMFEG-SFHVURJKSA-N 1 2 372.517 2.562 20 30 FFEDLO Cn1cc[nH+]c1CCC(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC001345920161 1052670818 /nfs/dbraw/zinc/67/08/18/1052670818.db2.gz IGHWAUFROPJUPJ-ZDUSSCGKSA-N 1 2 352.316 2.632 20 30 FFEDLO C=C[C@@H](O)c1nnc(N2CCC(Nc3cccc[nH+]3)CC2)n1CC(=C)C ZINC001346281238 1052811246 /nfs/dbraw/zinc/81/12/46/1052811246.db2.gz IYGQPKDUERNXKJ-MRXNPFEDSA-N 1 2 354.458 2.550 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001344528711 1052819753 /nfs/dbraw/zinc/81/97/53/1052819753.db2.gz HBCRQYYIJQKZAY-SJORKVTESA-N 1 2 360.502 2.619 20 30 FFEDLO C[C@@H]1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)C[C@@H]1F ZINC001346601687 1053145872 /nfs/dbraw/zinc/14/58/72/1053145872.db2.gz GVUKYEFJHTUHCG-QAPCUYQASA-N 1 2 374.508 2.965 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCOC1 ZINC001346608234 1053153738 /nfs/dbraw/zinc/15/37/38/1053153738.db2.gz HIQLUTDRAWHPQQ-HLIPFELVSA-N 1 2 372.517 2.601 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCOC1 ZINC001346608234 1053153743 /nfs/dbraw/zinc/15/37/43/1053153743.db2.gz HIQLUTDRAWHPQQ-HLIPFELVSA-N 1 2 372.517 2.601 20 30 FFEDLO C#CC[N@H+](CC1CC1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC001335587585 1053451125 /nfs/dbraw/zinc/45/11/25/1053451125.db2.gz DVEQDXBBRGVPDP-UHFFFAOYSA-N 1 2 373.456 2.785 20 30 FFEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC001335587585 1053451137 /nfs/dbraw/zinc/45/11/37/1053451137.db2.gz DVEQDXBBRGVPDP-UHFFFAOYSA-N 1 2 373.456 2.785 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)Nc2cccc(OCC[NH+](C)C)c2)cc1C#N ZINC001348435609 1054692571 /nfs/dbraw/zinc/69/25/71/1054692571.db2.gz LDZVUBOCCWQDKA-UHFFFAOYSA-N 1 2 372.450 2.573 20 30 FFEDLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)Cc2ccc(C#N)nc2)C1 ZINC001337815166 1055034750 /nfs/dbraw/zinc/03/47/50/1055034750.db2.gz IFGWKBJEAMDPLE-MRXNPFEDSA-N 1 2 351.454 2.853 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2c2ccsc2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001352064508 1055164997 /nfs/dbraw/zinc/16/49/97/1055164997.db2.gz ZWWONFXWDQJRCY-MDZRGWNJSA-N 1 2 373.526 2.779 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2c2ccsc2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001352064508 1055165000 /nfs/dbraw/zinc/16/50/00/1055165000.db2.gz ZWWONFXWDQJRCY-MDZRGWNJSA-N 1 2 373.526 2.779 20 30 FFEDLO C=CCn1c([C@@H](C)C(C)C)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001352153241 1055226317 /nfs/dbraw/zinc/22/63/17/1055226317.db2.gz YOACZTAJVGYZOF-KRWDZBQOSA-N 1 2 354.502 2.941 20 30 FFEDLO CN(Cc1ccccc1F)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001338137982 1055262404 /nfs/dbraw/zinc/26/24/04/1055262404.db2.gz FORCYDCOKQTQHG-UHFFFAOYSA-N 1 2 356.449 2.684 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H](C)O[C@H](CC)C1 ZINC001356082297 1055271340 /nfs/dbraw/zinc/27/13/40/1055271340.db2.gz AMIPLALYFZYGEO-SJLPKXTDSA-N 1 2 372.517 2.561 20 30 FFEDLO COC(=O)/C=C/c1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)o1 ZINC000848875656 1055282771 /nfs/dbraw/zinc/28/27/71/1055282771.db2.gz CQAFMXXHICYCFC-SQUSKLHYSA-N 1 2 365.433 2.848 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC(c2nc(C)no2)CC1 ZINC001356209730 1055386496 /nfs/dbraw/zinc/38/64/96/1055386496.db2.gz BADLLMTXHCBIIO-MRXNPFEDSA-N 1 2 371.489 2.696 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC(c2nc(C)no2)CC1 ZINC001356209730 1055386507 /nfs/dbraw/zinc/38/65/07/1055386507.db2.gz BADLLMTXHCBIIO-MRXNPFEDSA-N 1 2 371.489 2.696 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1Cc2ccccc2[C@H]1CC ZINC001338896075 1055914007 /nfs/dbraw/zinc/91/40/07/1055914007.db2.gz TXSNJOXHBFVVSE-NXHRZFHOSA-N 1 2 353.470 2.673 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1Cc2ccccc2[C@H]1CC ZINC001338896075 1055914014 /nfs/dbraw/zinc/91/40/14/1055914014.db2.gz TXSNJOXHBFVVSE-NXHRZFHOSA-N 1 2 353.470 2.673 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](c2ccc(F)c(F)c2)C1(C)C ZINC001353108786 1056076768 /nfs/dbraw/zinc/07/67/68/1056076768.db2.gz IJCDXUAXZKCPHJ-CJNGLKHVSA-N 1 2 366.408 2.506 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)Cc1ccc(C)o1 ZINC001339476015 1056492054 /nfs/dbraw/zinc/49/20/54/1056492054.db2.gz RXUNUGDZCSYXHN-AEFFLSMTSA-N 1 2 371.485 2.928 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)Cc1ccc(C)o1 ZINC001339476015 1056492063 /nfs/dbraw/zinc/49/20/63/1056492063.db2.gz RXUNUGDZCSYXHN-AEFFLSMTSA-N 1 2 371.485 2.928 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCN(C)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001100334797 1056495217 /nfs/dbraw/zinc/49/52/17/1056495217.db2.gz UIPLGMRZZOZWAP-WBVHZDCISA-N 1 2 360.502 2.867 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1ccc(C)o1 ZINC001339486666 1056503273 /nfs/dbraw/zinc/50/32/73/1056503273.db2.gz YJLUVLVLBPRROM-KRWDZBQOSA-N 1 2 359.474 2.784 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1ccc(C)o1 ZINC001339486666 1056503283 /nfs/dbraw/zinc/50/32/83/1056503283.db2.gz YJLUVLVLBPRROM-KRWDZBQOSA-N 1 2 359.474 2.784 20 30 FFEDLO C#CCN(CC)c1nnc(CC2CC2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001359012156 1056656765 /nfs/dbraw/zinc/65/67/65/1056656765.db2.gz AYLQXJLEGOXYGF-KRWDZBQOSA-N 1 2 352.486 2.773 20 30 FFEDLO C=C(Cl)Cn1c(CC2CC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001359153684 1056750121 /nfs/dbraw/zinc/75/01/21/1056750121.db2.gz NWPUUMCFRKFSQU-UHFFFAOYSA-N 1 2 358.877 2.705 20 30 FFEDLO N#Cc1cc(Br)ccc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001544857094 1071703148 /nfs/dbraw/zinc/70/31/48/1071703148.db2.gz HZGBHZYWOXYNSJ-AWEZNQCLSA-N 1 2 371.238 2.724 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)C1(C(F)(F)F)CC1 ZINC001518017219 1058237760 /nfs/dbraw/zinc/23/77/60/1058237760.db2.gz HEVPJNCJTQPGLI-UHFFFAOYSA-N 1 2 373.396 2.818 20 30 FFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H](C#N)CCc2ccccc2)C1 ZINC001445621399 1058425310 /nfs/dbraw/zinc/42/53/10/1058425310.db2.gz ARPCZLPEKIQOMZ-MOPGFXCFSA-N 1 2 350.466 2.974 20 30 FFEDLO C#CCCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001515032993 1059243281 /nfs/dbraw/zinc/24/32/81/1059243281.db2.gz FFYGVWFOFHYFLX-ZWKOTPCHSA-N 1 2 355.482 2.825 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(CC)Cc1ccccc1 ZINC001520361430 1059638670 /nfs/dbraw/zinc/63/86/70/1059638670.db2.gz SJEKWLRFGSKZFN-UHFFFAOYSA-N 1 2 369.513 2.695 20 30 FFEDLO O=C(NCC#C[C@H]1CCCCO1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC001354957438 1059698227 /nfs/dbraw/zinc/69/82/27/1059698227.db2.gz MDQIWSQBSPVTAF-LJQANCHMSA-N 1 2 358.486 2.657 20 30 FFEDLO C=CCN(c1nnc(-c2cccnc2)n1Cc1c[nH+]ccc1OC)C1CC1 ZINC001507989476 1059784205 /nfs/dbraw/zinc/78/42/05/1059784205.db2.gz DJUKTERAWVFAMG-UHFFFAOYSA-N 1 2 362.437 2.947 20 30 FFEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848475010 1060092920 /nfs/dbraw/zinc/09/29/20/1060092920.db2.gz IGQCYNQYPOXQCJ-IBGZPJMESA-N 1 2 364.405 2.872 20 30 FFEDLO C[N@H+](Cc1cccc(C#N)c1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848475010 1060092939 /nfs/dbraw/zinc/09/29/39/1060092939.db2.gz IGQCYNQYPOXQCJ-IBGZPJMESA-N 1 2 364.405 2.872 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C(C)(C)C2)CCC1 ZINC001509576624 1060104053 /nfs/dbraw/zinc/10/40/53/1060104053.db2.gz DNAVMYSOVJXAMG-INMHGKMJSA-N 1 2 370.497 2.613 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C(C)(C)C2)CCC1 ZINC001509576624 1060104056 /nfs/dbraw/zinc/10/40/56/1060104056.db2.gz DNAVMYSOVJXAMG-INMHGKMJSA-N 1 2 370.497 2.613 20 30 FFEDLO N#Cc1c[nH]c(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)c1 ZINC001457269289 1060329309 /nfs/dbraw/zinc/32/93/09/1060329309.db2.gz RYLCYFPWKHSZTP-UHFFFAOYSA-N 1 2 353.813 2.757 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC001511337022 1060332920 /nfs/dbraw/zinc/33/29/20/1060332920.db2.gz ZPLIPYASTMQTBK-PZPFTHLGSA-N 1 2 370.497 2.520 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC001355941430 1060745146 /nfs/dbraw/zinc/74/51/46/1060745146.db2.gz GLRFPEVWZDULPZ-KSSFIOAISA-N 1 2 369.460 2.699 20 30 FFEDLO C=C(C)Cn1c(N2CCC3(C2)CCCCC3)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001355947265 1060751952 /nfs/dbraw/zinc/75/19/52/1060751952.db2.gz SOKAGSLQLFPXNN-PXNSSMCTSA-N 1 2 373.545 2.926 20 30 FFEDLO C=C(C)Cn1c(N2CCC3(C2)CCCCC3)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001355947265 1060751969 /nfs/dbraw/zinc/75/19/69/1060751969.db2.gz SOKAGSLQLFPXNN-PXNSSMCTSA-N 1 2 373.545 2.926 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](CC)Cc2ccccc2F)c1 ZINC001459385599 1060753808 /nfs/dbraw/zinc/75/38/08/1060753808.db2.gz HFKBJHWADAOBFB-UHFFFAOYSA-N 1 2 353.397 2.977 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@H+](CC)Cc2ccccc2F)c1 ZINC001459385599 1060753823 /nfs/dbraw/zinc/75/38/23/1060753823.db2.gz HFKBJHWADAOBFB-UHFFFAOYSA-N 1 2 353.397 2.977 20 30 FFEDLO C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC001460310629 1060961304 /nfs/dbraw/zinc/96/13/04/1060961304.db2.gz MQTOYIROEFESKP-BBRMVZONSA-N 1 2 369.387 2.859 20 30 FFEDLO C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC001460310629 1060961326 /nfs/dbraw/zinc/96/13/26/1060961326.db2.gz MQTOYIROEFESKP-BBRMVZONSA-N 1 2 369.387 2.859 20 30 FFEDLO N#Cc1c(N)sc2c1CC[N@H+]([C@H]1CCN(c3ccc(F)cc3)C1=O)C2 ZINC001460895084 1061141570 /nfs/dbraw/zinc/14/15/70/1061141570.db2.gz PSPXLRDAKVFCJB-HNNXBMFYSA-N 1 2 356.426 2.505 20 30 FFEDLO N#Cc1c(N)sc2c1CC[N@@H+]([C@H]1CCN(c3ccc(F)cc3)C1=O)C2 ZINC001460895084 1061141577 /nfs/dbraw/zinc/14/15/77/1061141577.db2.gz PSPXLRDAKVFCJB-HNNXBMFYSA-N 1 2 356.426 2.505 20 30 FFEDLO CC(C)C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC001475717033 1061229228 /nfs/dbraw/zinc/22/92/28/1061229228.db2.gz LZCVIOUWCCKLLA-OAHLLOKOSA-N 1 2 369.918 2.757 20 30 FFEDLO CC(C)C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC001475717033 1061229248 /nfs/dbraw/zinc/22/92/48/1061229248.db2.gz LZCVIOUWCCKLLA-OAHLLOKOSA-N 1 2 369.918 2.757 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)C1(C(F)F)CCC1 ZINC001526992862 1061350661 /nfs/dbraw/zinc/35/06/61/1061350661.db2.gz OJJNAWOLRODXJN-UHFFFAOYSA-N 1 2 369.433 2.910 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)C1CC(F)(F)C1 ZINC001526992700 1061351187 /nfs/dbraw/zinc/35/11/87/1061351187.db2.gz NQMJWOHVDRGLGW-UHFFFAOYSA-N 1 2 355.406 2.520 20 30 FFEDLO C#CCCOC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001462807304 1061785924 /nfs/dbraw/zinc/78/59/24/1061785924.db2.gz RUVIMLNTUGNSIU-UHFFFAOYSA-N 1 2 356.344 2.863 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC(c2ccn(C)n2)CC1 ZINC001523796885 1062628798 /nfs/dbraw/zinc/62/87/98/1062628798.db2.gz QOFJATRUEPNPPN-UHFFFAOYSA-N 1 2 369.517 2.568 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CCCn2cccn2)[C@H]1CC ZINC001479647059 1062726083 /nfs/dbraw/zinc/72/60/83/1062726083.db2.gz YSZONNJQDVYIKA-LSDHHAIUSA-N 1 2 369.307 2.541 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CCCn2cccn2)[C@H]1CC ZINC001479647059 1062726108 /nfs/dbraw/zinc/72/61/08/1062726108.db2.gz YSZONNJQDVYIKA-LSDHHAIUSA-N 1 2 369.307 2.541 20 30 FFEDLO CC(C)C#CC(=O)N[C@H]1CC[N@H+](CC(=O)N(c2ccccc2)C(C)C)[C@@H]1C ZINC001479704981 1062840169 /nfs/dbraw/zinc/84/01/69/1062840169.db2.gz FTABKCLJJAZVGL-QUCCMNQESA-N 1 2 369.509 2.666 20 30 FFEDLO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(c2ccccc2)C(C)C)[C@@H]1C ZINC001479704981 1062840196 /nfs/dbraw/zinc/84/01/96/1062840196.db2.gz FTABKCLJJAZVGL-QUCCMNQESA-N 1 2 369.509 2.666 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2oc3c(cccc3C)c2C)[C@H]1C ZINC001479728946 1062965862 /nfs/dbraw/zinc/96/58/62/1062965862.db2.gz CKKSURPINIGQSN-WBVHZDCISA-N 1 2 369.465 2.544 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2oc3c(cccc3C)c2C)[C@H]1C ZINC001479728946 1062965880 /nfs/dbraw/zinc/96/58/80/1062965880.db2.gz CKKSURPINIGQSN-WBVHZDCISA-N 1 2 369.465 2.544 20 30 FFEDLO Cn1c[nH+]c(CCNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1 ZINC001524815934 1063000536 /nfs/dbraw/zinc/00/05/36/1063000536.db2.gz HMSSDXZZJSKHSS-UHFFFAOYSA-N 1 2 360.417 2.843 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc([C@@H]3C[N@@H+](C(C)C)CCO3)n2CC(C)C)C1 ZINC001524837821 1063017116 /nfs/dbraw/zinc/01/71/16/1063017116.db2.gz PUUWKFUQLTWRJV-OALUTQOASA-N 1 2 373.545 2.956 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc([C@@H]3C[N@H+](C(C)C)CCO3)n2CC(C)C)C1 ZINC001524837821 1063017138 /nfs/dbraw/zinc/01/71/38/1063017138.db2.gz PUUWKFUQLTWRJV-OALUTQOASA-N 1 2 373.545 2.956 20 30 FFEDLO N#Cc1ccc(Oc2cccc(NC(=O)/C=C/C[NH+]3CCOCC3)c2)nc1 ZINC001465366695 1063066644 /nfs/dbraw/zinc/06/66/44/1063066644.db2.gz IWNVOTGGCZEECM-GORDUTHDSA-N 1 2 364.405 2.572 20 30 FFEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001494101021 1063288280 /nfs/dbraw/zinc/28/82/80/1063288280.db2.gz AOIMXKATWADORN-NHCUHLMSSA-N 1 2 368.525 2.560 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)nc1Cl ZINC001533482409 1063309691 /nfs/dbraw/zinc/30/96/91/1063309691.db2.gz RSRYNMDLSILIPB-MRXNPFEDSA-N 1 2 351.797 2.974 20 30 FFEDLO Cc1c(C#N)c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n2ccccc12 ZINC001525799774 1063420624 /nfs/dbraw/zinc/42/06/24/1063420624.db2.gz XFIUUCDMAFBIFA-FQEVSTJZSA-N 1 2 374.444 2.959 20 30 FFEDLO Cc1c(C#N)c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n2ccccc12 ZINC001525799774 1063420631 /nfs/dbraw/zinc/42/06/31/1063420631.db2.gz XFIUUCDMAFBIFA-FQEVSTJZSA-N 1 2 374.444 2.959 20 30 FFEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001469874667 1064222236 /nfs/dbraw/zinc/22/22/36/1064222236.db2.gz OPANYJKYIFURPO-NRFANRHFSA-N 1 2 374.444 2.538 20 30 FFEDLO C=C(Cl)C[NH+]1CCC(N(Cc2cn[nH]n2)C(=O)[C@@H](C)CCC)CC1 ZINC001575059341 1078101969 /nfs/dbraw/zinc/10/19/69/1078101969.db2.gz LHVQGRYJDMDOPM-ZDUSSCGKSA-N 1 2 353.898 2.786 20 30 FFEDLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001471348745 1064650406 /nfs/dbraw/zinc/65/04/06/1064650406.db2.gz QXFHQYAMFQYRKC-TTYHFUOFSA-N 1 2 352.482 2.678 20 30 FFEDLO C=CCC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001575097903 1078107017 /nfs/dbraw/zinc/10/70/17/1078107017.db2.gz UYAXBNUASDPERM-KFKAGJAMSA-N 1 2 357.502 2.610 20 30 FFEDLO C#CC[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)Cc1ccc(F)cc1 ZINC001473136672 1065204051 /nfs/dbraw/zinc/20/40/51/1065204051.db2.gz DBVWMWUWEIVLDU-UHFFFAOYSA-N 1 2 360.388 2.561 20 30 FFEDLO C#CC[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)Cc1ccc(F)cc1 ZINC001473136672 1065204056 /nfs/dbraw/zinc/20/40/56/1065204056.db2.gz DBVWMWUWEIVLDU-UHFFFAOYSA-N 1 2 360.388 2.561 20 30 FFEDLO CCc1[nH]c(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1C(=O)OC ZINC001474413946 1065516276 /nfs/dbraw/zinc/51/62/76/1065516276.db2.gz FSKOYASYGJQNDQ-UHFFFAOYSA-N 1 2 352.438 2.558 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001474977496 1065660535 /nfs/dbraw/zinc/66/05/35/1065660535.db2.gz JRAXIGQEOGEGOG-QGZVFWFLSA-N 1 2 354.475 2.563 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001474977496 1065660544 /nfs/dbraw/zinc/66/05/44/1065660544.db2.gz JRAXIGQEOGEGOG-QGZVFWFLSA-N 1 2 354.475 2.563 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC12CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001578090980 1078437122 /nfs/dbraw/zinc/43/71/22/1078437122.db2.gz BMPRWVUFOOFMGH-BFYDXBDKSA-N 1 2 370.497 2.613 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC12CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001578090980 1078437123 /nfs/dbraw/zinc/43/71/23/1078437123.db2.gz BMPRWVUFOOFMGH-BFYDXBDKSA-N 1 2 370.497 2.613 20 30 FFEDLO C=CCOc1ccc(/C=C\C(=O)N[C@@H](CC)C[NH+]2CCOCC2)cc1OC ZINC001558422407 1076001792 /nfs/dbraw/zinc/00/17/92/1076001792.db2.gz CUQXECORQXPXBT-CNRGFGOASA-N 1 2 374.481 2.500 20 30 FFEDLO N#Cc1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)cc2=O ZINC001559554876 1076172276 /nfs/dbraw/zinc/17/22/76/1076172276.db2.gz MZUKHNGZOZCIOD-QZTJIDSGSA-N 1 2 358.405 2.578 20 30 FFEDLO N#Cc1cnn2c1[nH]c(C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)cc2=O ZINC001559554876 1076172278 /nfs/dbraw/zinc/17/22/78/1076172278.db2.gz MZUKHNGZOZCIOD-QZTJIDSGSA-N 1 2 358.405 2.578 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cnsn1)OCC ZINC001565966728 1076816944 /nfs/dbraw/zinc/81/69/44/1076816944.db2.gz VAVWGQMUGPBUPO-PVAVHDDUSA-N 1 2 366.531 2.626 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C)C1CCC1 ZINC001566098222 1076902496 /nfs/dbraw/zinc/90/24/96/1076902496.db2.gz USGXIQMQLGCOJI-ZNZDAUKMSA-N 1 2 359.445 2.591 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C)C1CCC1 ZINC001566098222 1076902498 /nfs/dbraw/zinc/90/24/98/1076902498.db2.gz USGXIQMQLGCOJI-ZNZDAUKMSA-N 1 2 359.445 2.591 20 30 FFEDLO C=CC[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C(=O)OCC ZINC001567457253 1077029505 /nfs/dbraw/zinc/02/95/05/1077029505.db2.gz UYBCRCJCUSTHLN-DLBZAZTESA-N 1 2 364.873 2.928 20 30 FFEDLO C=CC[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C(=O)OCC ZINC001567457253 1077029510 /nfs/dbraw/zinc/02/95/10/1077029510.db2.gz UYBCRCJCUSTHLN-DLBZAZTESA-N 1 2 364.873 2.928 20 30 FFEDLO C=CCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001574275406 1077945930 /nfs/dbraw/zinc/94/59/30/1077945930.db2.gz ZXOSBNGQCNNKIZ-OWSLCNJRSA-N 1 2 358.486 2.685 20 30 FFEDLO C#CCCCn1c(CC(C)C)nnc1N1CCC[C@@H]([NH2+]CC(F)F)C1 ZINC001574582131 1078026438 /nfs/dbraw/zinc/02/64/38/1078026438.db2.gz DDVDFWANZLMZEO-OAHLLOKOSA-N 1 2 353.461 2.714 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(CC)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001587644993 1079835116 /nfs/dbraw/zinc/83/51/16/1079835116.db2.gz CNCOXTSLMZXZBM-QGZVFWFLSA-N 1 2 366.513 2.978 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2CC2(C)CC2)CC1 ZINC001588791242 1080197914 /nfs/dbraw/zinc/19/79/14/1080197914.db2.gz PNSAAEIXOUGUEF-UHFFFAOYSA-N 1 2 353.445 2.640 20 30 FFEDLO COc1cccc([C@H](NC(=O)c2cc(C#N)oc2C)c2[nH+]ccn2C)c1 ZINC000366625182 512113285 /nfs/dbraw/zinc/11/32/85/512113285.db2.gz SKALBWYTPASMGX-KRWDZBQOSA-N 1 2 350.378 2.721 20 30 FFEDLO Cc1oc(NC(=O)CN2CCc3c([nH+]c(C(C)C)n3C)C2)c(C#N)c1C ZINC000106372826 250268562 /nfs/dbraw/zinc/26/85/62/250268562.db2.gz IUUPBYQCZNQYBU-UHFFFAOYSA-N 1 2 355.442 2.622 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@H](CO)C2)c1C#N ZINC000120125137 250550320 /nfs/dbraw/zinc/55/03/20/250550320.db2.gz WODOCHOITABQFX-INIZCTEOSA-N 1 2 358.486 2.735 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@H](CO)C2)c1C#N ZINC000120125137 250550325 /nfs/dbraw/zinc/55/03/25/250550325.db2.gz WODOCHOITABQFX-INIZCTEOSA-N 1 2 358.486 2.735 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000273153924 252232517 /nfs/dbraw/zinc/23/25/17/252232517.db2.gz ZNBXLACJGNMACX-ZDUSSCGKSA-N 1 2 356.451 2.589 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372995177 512123769 /nfs/dbraw/zinc/12/37/69/512123769.db2.gz AMEYGZRYFUCAJG-KRWDZBQOSA-N 1 2 365.481 2.987 20 30 FFEDLO Cn1c2c([nH+]c1[C@H]1CCCN1CC(=O)Nc1cccc(C#N)c1)CCCC2 ZINC000275513154 256018627 /nfs/dbraw/zinc/01/86/27/256018627.db2.gz BBWJIMIKOLOLFO-LJQANCHMSA-N 1 2 363.465 2.946 20 30 FFEDLO CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000275629192 256032013 /nfs/dbraw/zinc/03/20/13/256032013.db2.gz MTCHWITVHDFYSK-BBVFFXRHSA-N 1 2 362.433 2.712 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@@]2(CCOC2)O1 ZINC000280662078 256548969 /nfs/dbraw/zinc/54/89/69/256548969.db2.gz ZZVDCPKENOXPHQ-MLGOLLRUSA-N 1 2 351.244 2.701 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@@]2(CCOC2)O1 ZINC000280662078 256548971 /nfs/dbraw/zinc/54/89/71/256548971.db2.gz ZZVDCPKENOXPHQ-MLGOLLRUSA-N 1 2 351.244 2.701 20 30 FFEDLO N#Cc1ccc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000290963118 257368529 /nfs/dbraw/zinc/36/85/29/257368529.db2.gz OQXOKMZMLIYXPJ-UXHICEINSA-N 1 2 364.405 2.556 20 30 FFEDLO N#Cc1ccc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000290963118 257368530 /nfs/dbraw/zinc/36/85/30/257368530.db2.gz OQXOKMZMLIYXPJ-UXHICEINSA-N 1 2 364.405 2.556 20 30 FFEDLO N#Cc1ccc(OCC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000298647168 257929893 /nfs/dbraw/zinc/92/98/93/257929893.db2.gz GLJKRHABOPJKMP-UHFFFAOYSA-N 1 2 350.422 2.639 20 30 FFEDLO CC(=O)c1ccc(C#N)cc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000302046936 258084253 /nfs/dbraw/zinc/08/42/53/258084253.db2.gz LILSBCZSTDLTDB-YADHBBJMSA-N 1 2 361.445 2.850 20 30 FFEDLO CC(=O)c1ccc(C#N)cc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000302046936 258084255 /nfs/dbraw/zinc/08/42/55/258084255.db2.gz LILSBCZSTDLTDB-YADHBBJMSA-N 1 2 361.445 2.850 20 30 FFEDLO Cc1ccc(NCc2cccc(OCC[NH+]3CCOCC3)c2)nc1C#N ZINC000302634936 258107314 /nfs/dbraw/zinc/10/73/14/258107314.db2.gz JYMALEZMMNWIQF-UHFFFAOYSA-N 1 2 352.438 2.585 20 30 FFEDLO N#Cc1ccc(C(F)(F)F)nc1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000302780029 258110598 /nfs/dbraw/zinc/11/05/98/258110598.db2.gz RBCULPBULLSEHE-ZDUSSCGKSA-N 1 2 351.332 2.645 20 30 FFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000332480887 258232070 /nfs/dbraw/zinc/23/20/70/258232070.db2.gz WPGCFNKWPIFMDB-UHFFFAOYSA-N 1 2 350.831 2.503 20 30 FFEDLO N#Cc1ccc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1C(F)(F)F ZINC000332695569 258240437 /nfs/dbraw/zinc/24/04/37/258240437.db2.gz UYOUWHUQIBBTME-AWEZNQCLSA-N 1 2 368.359 2.515 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)CCC2 ZINC000370959620 512154293 /nfs/dbraw/zinc/15/42/93/512154293.db2.gz MHIFNSTTYCDENN-MRXNPFEDSA-N 1 2 352.438 2.914 20 30 FFEDLO CCOc1ccccc1N1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000032830922 506301681 /nfs/dbraw/zinc/30/16/81/506301681.db2.gz ZFRLILMLAYSSHZ-UWJYYQICSA-N 1 2 372.513 2.650 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000373200713 512218773 /nfs/dbraw/zinc/21/87/73/512218773.db2.gz HJTXHARNHCUDGS-XOBRGWDASA-N 1 2 353.397 2.618 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000373200713 512218775 /nfs/dbraw/zinc/21/87/75/512218775.db2.gz HJTXHARNHCUDGS-XOBRGWDASA-N 1 2 353.397 2.618 20 30 FFEDLO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000065950253 506400534 /nfs/dbraw/zinc/40/05/34/506400534.db2.gz KCAGOVQDWIXHPG-UHFFFAOYSA-N 1 2 370.416 2.686 20 30 FFEDLO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000065950253 506400541 /nfs/dbraw/zinc/40/05/41/506400541.db2.gz KCAGOVQDWIXHPG-UHFFFAOYSA-N 1 2 370.416 2.686 20 30 FFEDLO N#CC1(C(=O)N2CC[NH+](CCOc3ccccc3Cl)CC2)CCCC1 ZINC000042007992 506582350 /nfs/dbraw/zinc/58/23/50/506582350.db2.gz LHHBFEAXGIAMJY-UHFFFAOYSA-N 1 2 361.873 2.947 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000066846489 506663899 /nfs/dbraw/zinc/66/38/99/506663899.db2.gz RBXZVHBTICTSII-JXFKEZNVSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000066846489 506663908 /nfs/dbraw/zinc/66/39/08/506663908.db2.gz RBXZVHBTICTSII-JXFKEZNVSA-N 1 2 356.397 2.511 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000066868997 506674091 /nfs/dbraw/zinc/67/40/91/506674091.db2.gz LJTYRUJOMIPHJB-HNNXBMFYSA-N 1 2 350.894 2.670 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000410563466 512294132 /nfs/dbraw/zinc/29/41/32/512294132.db2.gz PVQYJWGRSAEOBM-UHFFFAOYSA-N 1 2 358.486 2.711 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000410563466 512294134 /nfs/dbraw/zinc/29/41/34/512294134.db2.gz PVQYJWGRSAEOBM-UHFFFAOYSA-N 1 2 358.486 2.711 20 30 FFEDLO C=CCc1ccc(OCC(=O)NCC[NH+]2Cc3ccccc3C2)c(OC)c1 ZINC000067744213 506996051 /nfs/dbraw/zinc/99/60/51/506996051.db2.gz CLLYMKCSSXJJOC-UHFFFAOYSA-N 1 2 366.461 2.935 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000045892578 507040832 /nfs/dbraw/zinc/04/08/32/507040832.db2.gz YDEWFBZYEKCNRC-GFCCVEGCSA-N 1 2 354.797 2.943 20 30 FFEDLO CCc1ccc(OCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000015742068 507056970 /nfs/dbraw/zinc/05/69/70/507056970.db2.gz ANIACEYMGADKNJ-UHFFFAOYSA-N 1 2 363.461 2.844 20 30 FFEDLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000373411691 512317254 /nfs/dbraw/zinc/31/72/54/512317254.db2.gz GUCRPDNTBKAPEE-DNVCBOLYSA-N 1 2 355.463 2.810 20 30 FFEDLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000373411691 512317259 /nfs/dbraw/zinc/31/72/59/512317259.db2.gz GUCRPDNTBKAPEE-DNVCBOLYSA-N 1 2 355.463 2.810 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000046086744 507075000 /nfs/dbraw/zinc/07/50/00/507075000.db2.gz BUUUFGDCGMOWGZ-UHFFFAOYSA-N 1 2 352.413 2.848 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@H+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000046086744 507075006 /nfs/dbraw/zinc/07/50/06/507075006.db2.gz BUUUFGDCGMOWGZ-UHFFFAOYSA-N 1 2 352.413 2.848 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)COc1ccccc1C#N)c1ccc(F)cc1 ZINC000016470984 507090962 /nfs/dbraw/zinc/09/09/62/507090962.db2.gz YDPYIQRVTIFVDR-LJQANCHMSA-N 1 2 364.380 2.715 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccccc1F ZINC000018236836 507146856 /nfs/dbraw/zinc/14/68/56/507146856.db2.gz SASMUTAOBCZAOR-IBGZPJMESA-N 1 2 364.380 2.715 20 30 FFEDLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c([N+](=O)[O-])c1 ZINC000046519091 507147351 /nfs/dbraw/zinc/14/73/51/507147351.db2.gz QFMLRDXMFZDGFA-UHFFFAOYSA-N 1 2 354.366 2.546 20 30 FFEDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c([N+](=O)[O-])c1 ZINC000046519091 507147360 /nfs/dbraw/zinc/14/73/60/507147360.db2.gz QFMLRDXMFZDGFA-UHFFFAOYSA-N 1 2 354.366 2.546 20 30 FFEDLO COc1ccccc1N1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000057406039 507256755 /nfs/dbraw/zinc/25/67/55/507256755.db2.gz ORBVIMWMHZYAMC-INIZCTEOSA-N 1 2 364.449 2.716 20 30 FFEDLO C[C@@H](C(=O)N(C)c1ccccc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781425 507309459 /nfs/dbraw/zinc/30/94/59/507309459.db2.gz FPXIUIRTNXBISZ-SFHVURJKSA-N 1 2 362.477 2.727 20 30 FFEDLO C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000022781425 507309468 /nfs/dbraw/zinc/30/94/68/507309468.db2.gz FPXIUIRTNXBISZ-SFHVURJKSA-N 1 2 362.477 2.727 20 30 FFEDLO N#Cc1cccc(OCCCCC(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)c1 ZINC000367084225 512331344 /nfs/dbraw/zinc/33/13/44/512331344.db2.gz MAKDTLPZOOZFHD-HXUWFJFHSA-N 1 2 364.449 2.675 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000023257637 507343883 /nfs/dbraw/zinc/34/38/83/507343883.db2.gz XZZHSAFAVWGMLE-UHFFFAOYSA-N 1 2 359.433 2.926 20 30 FFEDLO N#CC1CC[NH+](CC(=O)NCc2cccc(COCc3ccco3)c2)CC1 ZINC000057873328 507345373 /nfs/dbraw/zinc/34/53/73/507345373.db2.gz MVIJMFTXJWJUQW-UHFFFAOYSA-N 1 2 367.449 2.848 20 30 FFEDLO CN(C(=O)CN1CC[NH+](Cc2ccsc2)CC1)C1(C#N)CCCCC1 ZINC000023376093 507348791 /nfs/dbraw/zinc/34/87/91/507348791.db2.gz KBZUJSUIPBQGPM-UHFFFAOYSA-N 1 2 360.527 2.551 20 30 FFEDLO Cc1nc(SCC(=O)NCc2ccc[nH+]c2N(C)C)c(C#N)c(C)c1C ZINC000058146131 507374029 /nfs/dbraw/zinc/37/40/29/507374029.db2.gz IQRSXVZVECUTPW-UHFFFAOYSA-N 1 2 369.494 2.748 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3noc(Cc4ccccc4)n3)CC2)cc1 ZINC000069220078 507441673 /nfs/dbraw/zinc/44/16/73/507441673.db2.gz CPMCJTSJRHCOMF-UHFFFAOYSA-N 1 2 373.460 2.850 20 30 FFEDLO N#Cc1ccc(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1Cl ZINC000058859882 507473639 /nfs/dbraw/zinc/47/36/39/507473639.db2.gz LGLVZQMKHIFOOF-UHFFFAOYSA-N 1 2 355.829 2.956 20 30 FFEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000026199014 507566014 /nfs/dbraw/zinc/56/60/14/507566014.db2.gz XEXFFNUHCBERNW-PBHICJAKSA-N 1 2 368.399 2.672 20 30 FFEDLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000026199014 507566022 /nfs/dbraw/zinc/56/60/22/507566022.db2.gz XEXFFNUHCBERNW-PBHICJAKSA-N 1 2 368.399 2.672 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000060633786 507569427 /nfs/dbraw/zinc/56/94/27/507569427.db2.gz UZMCTFQPSIDXSI-UHFFFAOYSA-N 1 2 370.280 2.610 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC1(C(=O)OC)CCCCC1)Cc1cccc(C#N)c1 ZINC000063299863 507713281 /nfs/dbraw/zinc/71/32/81/507713281.db2.gz JQBFMJQFGZZZFL-UHFFFAOYSA-N 1 2 369.465 2.538 20 30 FFEDLO C=CC[N@H+](CC(=O)NC1(C(=O)OC)CCCCC1)Cc1cccc(C#N)c1 ZINC000063299863 507713288 /nfs/dbraw/zinc/71/32/88/507713288.db2.gz JQBFMJQFGZZZFL-UHFFFAOYSA-N 1 2 369.465 2.538 20 30 FFEDLO C=CC[N@H+](CCNS(=O)(=O)c1ccccc1)Cc1cccc(C#N)c1 ZINC000063299788 507713313 /nfs/dbraw/zinc/71/33/13/507713313.db2.gz RXFGUFVOCRYPIN-UHFFFAOYSA-N 1 2 355.463 2.525 20 30 FFEDLO C=CC[N@@H+](CCNS(=O)(=O)c1ccccc1)Cc1cccc(C#N)c1 ZINC000063299788 507713319 /nfs/dbraw/zinc/71/33/19/507713319.db2.gz RXFGUFVOCRYPIN-UHFFFAOYSA-N 1 2 355.463 2.525 20 30 FFEDLO COc1ccc(C[N@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c(OC)c1 ZINC000028746196 507740855 /nfs/dbraw/zinc/74/08/55/507740855.db2.gz FSOBWAFFGRUQLN-LJQANCHMSA-N 1 2 365.433 2.813 20 30 FFEDLO COc1ccc(C[N@@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c(OC)c1 ZINC000028746196 507740864 /nfs/dbraw/zinc/74/08/64/507740864.db2.gz FSOBWAFFGRUQLN-LJQANCHMSA-N 1 2 365.433 2.813 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1C#N ZINC000063758086 507768155 /nfs/dbraw/zinc/76/81/55/507768155.db2.gz NJSOKSZLQSNJDV-ZDUSSCGKSA-N 1 2 362.499 2.765 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1C#N ZINC000063758086 507768158 /nfs/dbraw/zinc/76/81/58/507768158.db2.gz NJSOKSZLQSNJDV-ZDUSSCGKSA-N 1 2 362.499 2.765 20 30 FFEDLO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029856661 507793094 /nfs/dbraw/zinc/79/30/94/507793094.db2.gz RZIRTLXXNXONIR-YJBOKZPZSA-N 1 2 358.461 2.514 20 30 FFEDLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857111 507793541 /nfs/dbraw/zinc/79/35/41/507793541.db2.gz LPLSQSKUFJVKJG-MDZRGWNJSA-N 1 2 372.488 2.903 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)NCCCC3CCCCC3)CC2)c1 ZINC000052508856 507811606 /nfs/dbraw/zinc/81/16/06/507811606.db2.gz MYOSIIUGPMKLRY-UHFFFAOYSA-N 1 2 369.513 2.552 20 30 FFEDLO Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1C ZINC000031300113 507818821 /nfs/dbraw/zinc/81/88/21/507818821.db2.gz VOZIKEWWIYESIR-OXJNMPFZSA-N 1 2 358.486 2.617 20 30 FFEDLO Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1C ZINC000031300113 507818822 /nfs/dbraw/zinc/81/88/22/507818822.db2.gz VOZIKEWWIYESIR-OXJNMPFZSA-N 1 2 358.486 2.617 20 30 FFEDLO CCOc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)Cc2csc(C)n2)cc1 ZINC000072920074 507873673 /nfs/dbraw/zinc/87/36/73/507873673.db2.gz MURURIVKUIEZIJ-NSHDSACASA-N 1 2 362.455 2.709 20 30 FFEDLO Cc1noc(C)c1[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000073064114 507890717 /nfs/dbraw/zinc/89/07/17/507890717.db2.gz YSDGOPXLMKBGJA-AWEZNQCLSA-N 1 2 367.453 2.752 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551328 507926937 /nfs/dbraw/zinc/92/69/37/507926937.db2.gz LTKFDQNTARMBMG-MSOLQXFVSA-N 1 2 352.394 2.528 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551328 507926938 /nfs/dbraw/zinc/92/69/38/507926938.db2.gz LTKFDQNTARMBMG-MSOLQXFVSA-N 1 2 352.394 2.528 20 30 FFEDLO N#CCSc1cccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000079506189 507969971 /nfs/dbraw/zinc/96/99/71/507969971.db2.gz CAONXGHKAFXMDV-UHFFFAOYSA-N 1 2 352.463 2.655 20 30 FFEDLO Cc1cc(N)nc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)[nH+]1 ZINC000074340983 508013739 /nfs/dbraw/zinc/01/37/39/508013739.db2.gz YHHQEEZTVRJENE-SECBINFHSA-N 1 2 359.480 2.908 20 30 FFEDLO Cc1cc(N)nc(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)[nH+]1 ZINC000074341013 508014128 /nfs/dbraw/zinc/01/41/28/508014128.db2.gz AHNSZJAIEQJTCA-GFCCVEGCSA-N 1 2 359.430 2.934 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000080169204 508046814 /nfs/dbraw/zinc/04/68/14/508046814.db2.gz GRTHZSWSRXABIK-UHFFFAOYSA-N 1 2 354.813 2.559 20 30 FFEDLO C=CC[N@H+](Cc1cccc(OCc2ccccn2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361713 508064684 /nfs/dbraw/zinc/06/46/84/508064684.db2.gz QWKFWJLPLIRAJU-LJQANCHMSA-N 1 2 372.490 2.836 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(OCc2ccccn2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361713 508064687 /nfs/dbraw/zinc/06/46/87/508064687.db2.gz QWKFWJLPLIRAJU-LJQANCHMSA-N 1 2 372.490 2.836 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111294339 508087412 /nfs/dbraw/zinc/08/74/12/508087412.db2.gz NURLHWJTJOYPHC-BBRMVZONSA-N 1 2 374.872 2.625 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111294339 508087416 /nfs/dbraw/zinc/08/74/16/508087416.db2.gz NURLHWJTJOYPHC-BBRMVZONSA-N 1 2 374.872 2.625 20 30 FFEDLO N#CCCCS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000111351386 508092576 /nfs/dbraw/zinc/09/25/76/508092576.db2.gz YZAVEZHWIPRHAT-OAHLLOKOSA-N 1 2 373.881 2.667 20 30 FFEDLO N#CCCCS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000111351386 508092579 /nfs/dbraw/zinc/09/25/79/508092579.db2.gz YZAVEZHWIPRHAT-OAHLLOKOSA-N 1 2 373.881 2.667 20 30 FFEDLO CC(C)CN(C(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1)C1CC1 ZINC000080905266 508110112 /nfs/dbraw/zinc/11/01/12/508110112.db2.gz KWNHHIMJACARGH-HXUWFJFHSA-N 1 2 354.498 2.516 20 30 FFEDLO CCN(C(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1)c1ccccc1 ZINC000080906306 508110271 /nfs/dbraw/zinc/11/02/71/508110271.db2.gz GKNKKCDKXWYBLR-OAQYLSRUSA-N 1 2 362.477 2.922 20 30 FFEDLO Cc1cccn2cc(COc3ccc(CN4CCO[C@@H](C#N)C4)cc3)[nH+]c12 ZINC000093136050 508123819 /nfs/dbraw/zinc/12/38/19/508123819.db2.gz PKZBFSTWNQJSFU-FQEVSTJZSA-N 1 2 362.433 2.946 20 30 FFEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)Cn1cc[nH+]c1 ZINC000081024417 508127022 /nfs/dbraw/zinc/12/70/22/508127022.db2.gz FXUWIJZSNOCJSG-UHFFFAOYSA-N 1 2 352.207 3.000 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C1(C(N)=O)CCCC1 ZINC000093213667 508128248 /nfs/dbraw/zinc/12/82/48/508128248.db2.gz BEXPKZNPAKLCMV-CQSZACIVSA-N 1 2 374.510 2.749 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000093213667 508128252 /nfs/dbraw/zinc/12/82/52/508128252.db2.gz BEXPKZNPAKLCMV-CQSZACIVSA-N 1 2 374.510 2.749 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c2ccccc21 ZINC000081049185 508130349 /nfs/dbraw/zinc/13/03/49/508130349.db2.gz ZKXRYJKUNODBII-KRWDZBQOSA-N 1 2 365.355 2.737 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c2ccccc21 ZINC000081049185 508130352 /nfs/dbraw/zinc/13/03/52/508130352.db2.gz ZKXRYJKUNODBII-KRWDZBQOSA-N 1 2 365.355 2.737 20 30 FFEDLO CC(C)CCc1nc(CN(CCC#N)CC[NH+]2CCOCC2)cs1 ZINC000081158501 508142382 /nfs/dbraw/zinc/14/23/82/508142382.db2.gz ROSULCFSSOUWMN-UHFFFAOYSA-N 1 2 350.532 2.780 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000076154291 508164648 /nfs/dbraw/zinc/16/46/48/508164648.db2.gz RMBCVPLZCGRLMF-ANULTFPQSA-N 1 2 367.493 2.928 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000076154291 508164652 /nfs/dbraw/zinc/16/46/52/508164652.db2.gz RMBCVPLZCGRLMF-ANULTFPQSA-N 1 2 367.493 2.928 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076182736 508166911 /nfs/dbraw/zinc/16/69/11/508166911.db2.gz YHGPTZKZHUARCL-JFGNBEQYSA-N 1 2 359.314 2.713 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076182736 508166915 /nfs/dbraw/zinc/16/69/15/508166915.db2.gz YHGPTZKZHUARCL-JFGNBEQYSA-N 1 2 359.314 2.713 20 30 FFEDLO CCOc1ccc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000081512279 508183811 /nfs/dbraw/zinc/18/38/11/508183811.db2.gz HUNBAEJAYGFPFR-UHFFFAOYSA-N 1 2 358.463 2.863 20 30 FFEDLO CCOc1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000081512279 508183816 /nfs/dbraw/zinc/18/38/16/508183816.db2.gz HUNBAEJAYGFPFR-UHFFFAOYSA-N 1 2 358.463 2.863 20 30 FFEDLO Cn1cc(C#N)cc1C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000081755860 508209059 /nfs/dbraw/zinc/20/90/59/508209059.db2.gz RLTWDIWUGMHRTM-CQSZACIVSA-N 1 2 358.392 2.569 20 30 FFEDLO Cn1cc(C#N)cc1C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000081755860 508209061 /nfs/dbraw/zinc/20/90/61/508209061.db2.gz RLTWDIWUGMHRTM-CQSZACIVSA-N 1 2 358.392 2.569 20 30 FFEDLO C[C@@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)Cn1cc[nH+]c1 ZINC000081799673 508212506 /nfs/dbraw/zinc/21/25/06/508212506.db2.gz KFKOUTWPRFAKJQ-HNNXBMFYSA-N 1 2 364.405 2.993 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)oc1C ZINC000101558606 508246210 /nfs/dbraw/zinc/24/62/10/508246210.db2.gz YQIDCSLVBQWMTK-UHFFFAOYSA-N 1 2 357.385 2.708 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)CC)CC1 ZINC000077390185 508309304 /nfs/dbraw/zinc/30/93/04/508309304.db2.gz DMGAVFHGRDZZGM-MRXNPFEDSA-N 1 2 363.527 2.596 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCCN(C(=O)CC)CC1 ZINC000077390185 508309306 /nfs/dbraw/zinc/30/93/06/508309306.db2.gz DMGAVFHGRDZZGM-MRXNPFEDSA-N 1 2 363.527 2.596 20 30 FFEDLO N#Cc1cc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1F ZINC000077497927 508324002 /nfs/dbraw/zinc/32/40/02/508324002.db2.gz IQXZFHKNWVWEIG-SFHVURJKSA-N 1 2 368.412 2.720 20 30 FFEDLO N#Cc1cc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1F ZINC000077497927 508324004 /nfs/dbraw/zinc/32/40/04/508324004.db2.gz IQXZFHKNWVWEIG-SFHVURJKSA-N 1 2 368.412 2.720 20 30 FFEDLO COc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000088524847 508374645 /nfs/dbraw/zinc/37/46/45/508374645.db2.gz QXQOVGZKJXJKLD-IBGZPJMESA-N 1 2 366.421 2.986 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115595593 508415831 /nfs/dbraw/zinc/41/58/31/508415831.db2.gz GLWVXGPGPSSDOS-HXUWFJFHSA-N 1 2 359.433 2.677 20 30 FFEDLO COc1cc(F)c([C@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115600361 508417259 /nfs/dbraw/zinc/41/72/59/508417259.db2.gz LJZALUNUWNMFPS-VOJFVSQTSA-N 1 2 357.385 2.592 20 30 FFEDLO CCCc1ccc([C@H](C)[N@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000115842423 508445222 /nfs/dbraw/zinc/44/52/22/508445222.db2.gz LPTHXQCDNCDCFW-KKSFZXQISA-N 1 2 372.513 2.542 20 30 FFEDLO CCCc1ccc([C@H](C)[N@@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000115842423 508445224 /nfs/dbraw/zinc/44/52/24/508445224.db2.gz LPTHXQCDNCDCFW-KKSFZXQISA-N 1 2 372.513 2.542 20 30 FFEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152629511 508483013 /nfs/dbraw/zinc/48/30/13/508483013.db2.gz PKKHXFOTJHDMLY-MRXNPFEDSA-N 1 2 350.422 2.506 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153398165 508579263 /nfs/dbraw/zinc/57/92/63/508579263.db2.gz FXJJKOOMVPQCML-CQSZACIVSA-N 1 2 356.426 2.684 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153398165 508579267 /nfs/dbraw/zinc/57/92/67/508579267.db2.gz FXJJKOOMVPQCML-CQSZACIVSA-N 1 2 356.426 2.684 20 30 FFEDLO CCN(CC)C(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000153610455 508607624 /nfs/dbraw/zinc/60/76/24/508607624.db2.gz KTNQPBJPAIZVMY-AWEZNQCLSA-N 1 2 374.485 2.676 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCCC[C@@H]2CO)c1C#N ZINC000123018894 508623157 /nfs/dbraw/zinc/62/31/57/508623157.db2.gz JKOPKUOZRVXJSC-QGZVFWFLSA-N 1 2 358.486 2.877 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCCC[C@@H]2CO)c1C#N ZINC000123018894 508623159 /nfs/dbraw/zinc/62/31/59/508623159.db2.gz JKOPKUOZRVXJSC-QGZVFWFLSA-N 1 2 358.486 2.877 20 30 FFEDLO COCC[N@H+](CC(=O)N[C@@H](C)c1cccs1)Cc1ccc(C#N)cc1 ZINC000123423482 508684442 /nfs/dbraw/zinc/68/44/42/508684442.db2.gz OETUQVFURGORNO-HNNXBMFYSA-N 1 2 357.479 2.946 20 30 FFEDLO COCC[N@@H+](CC(=O)N[C@@H](C)c1cccs1)Cc1ccc(C#N)cc1 ZINC000123423482 508684447 /nfs/dbraw/zinc/68/44/47/508684447.db2.gz OETUQVFURGORNO-HNNXBMFYSA-N 1 2 357.479 2.946 20 30 FFEDLO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000129898525 508777982 /nfs/dbraw/zinc/77/79/82/508777982.db2.gz HRHPVBUZXUJCOI-OAHLLOKOSA-N 1 2 353.422 2.664 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000159470959 508846864 /nfs/dbraw/zinc/84/68/64/508846864.db2.gz PJUZZNFVIIBLMT-OXJNMPFZSA-N 1 2 360.477 2.559 20 30 FFEDLO C#CCCCCNC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000159531754 508853747 /nfs/dbraw/zinc/85/37/47/508853747.db2.gz XHHQYGUUVHZEEK-SFHVURJKSA-N 1 2 370.453 2.629 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000124583389 508855020 /nfs/dbraw/zinc/85/50/20/508855020.db2.gz YCSJWOZAQDFQCX-IBGZPJMESA-N 1 2 351.450 2.934 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000124583389 508855022 /nfs/dbraw/zinc/85/50/22/508855022.db2.gz YCSJWOZAQDFQCX-IBGZPJMESA-N 1 2 351.450 2.934 20 30 FFEDLO CC(C)(C#N)CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000130953540 508869484 /nfs/dbraw/zinc/86/94/84/508869484.db2.gz AIBJKUIMCYYNDM-UHFFFAOYSA-N 1 2 355.891 2.586 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000154892203 508877492 /nfs/dbraw/zinc/87/74/92/508877492.db2.gz IFUYAFFRAPTCCA-LJQANCHMSA-N 1 2 369.490 2.908 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000154892203 508877496 /nfs/dbraw/zinc/87/74/96/508877496.db2.gz IFUYAFFRAPTCCA-LJQANCHMSA-N 1 2 369.490 2.908 20 30 FFEDLO C#CCCCCC(=O)N1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000119965146 508899560 /nfs/dbraw/zinc/89/95/60/508899560.db2.gz ILYYVNZUZZLQKP-UHFFFAOYSA-N 1 2 374.481 2.550 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)CSCC[NH+]2CCOCC2)c1 ZINC000160007310 508924485 /nfs/dbraw/zinc/92/44/85/508924485.db2.gz QUAUQROGOMNLEL-UHFFFAOYSA-N 1 2 361.511 2.616 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155373658 508987580 /nfs/dbraw/zinc/98/75/80/508987580.db2.gz GEDJVODEQHGWBL-GFCCVEGCSA-N 1 2 371.407 2.602 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155373658 508987583 /nfs/dbraw/zinc/98/75/83/508987583.db2.gz GEDJVODEQHGWBL-GFCCVEGCSA-N 1 2 371.407 2.602 20 30 FFEDLO C=C[C@H](CC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000125517285 508993823 /nfs/dbraw/zinc/99/38/23/508993823.db2.gz XBRJNFAWNPIYHE-RTBURBONSA-N 1 2 369.509 2.501 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000155559488 509026485 /nfs/dbraw/zinc/02/64/85/509026485.db2.gz ZDKHNRKMXSXRFG-OAHLLOKOSA-N 1 2 360.421 2.714 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000155559488 509026490 /nfs/dbraw/zinc/02/64/90/509026490.db2.gz ZDKHNRKMXSXRFG-OAHLLOKOSA-N 1 2 360.421 2.714 20 30 FFEDLO COCCN1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000125772442 509028175 /nfs/dbraw/zinc/02/81/75/509028175.db2.gz DDBITIWTLIKBPP-UHFFFAOYSA-N 1 2 365.477 2.901 20 30 FFEDLO N#Cc1cc(F)c(C(=O)NCc2ccccc2C[NH+]2CCOCC2)c(F)c1 ZINC000151493876 509028921 /nfs/dbraw/zinc/02/89/21/509028921.db2.gz JTTOYXFPYMCFNA-UHFFFAOYSA-N 1 2 371.387 2.599 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000151738451 509074510 /nfs/dbraw/zinc/07/45/10/509074510.db2.gz PYCXAYSYMGQQHK-SJLPKXTDSA-N 1 2 374.462 2.513 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000151738451 509074513 /nfs/dbraw/zinc/07/45/13/509074513.db2.gz PYCXAYSYMGQQHK-SJLPKXTDSA-N 1 2 374.462 2.513 20 30 FFEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CNc1cccc(C#N)c1 ZINC000161453057 509116879 /nfs/dbraw/zinc/11/68/79/509116879.db2.gz DCAUCAVWBOWLMF-UHFFFAOYSA-N 1 2 364.449 2.750 20 30 FFEDLO C=CC[N@@H+](CCc1cccc(OC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000121182982 509146506 /nfs/dbraw/zinc/14/65/06/509146506.db2.gz FDJPOHIPRJSNID-AWEZNQCLSA-N 1 2 363.401 2.803 20 30 FFEDLO C=CC[N@H+](CCc1cccc(OC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000121182982 509146510 /nfs/dbraw/zinc/14/65/10/509146510.db2.gz FDJPOHIPRJSNID-AWEZNQCLSA-N 1 2 363.401 2.803 20 30 FFEDLO CSc1ccccc1NC(=O)C[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000121610326 509179437 /nfs/dbraw/zinc/17/94/37/509179437.db2.gz GNJZKULTQLXDOK-KRWDZBQOSA-N 1 2 355.463 2.884 20 30 FFEDLO CSc1ccccc1NC(=O)C[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000121610326 509179438 /nfs/dbraw/zinc/17/94/38/509179438.db2.gz GNJZKULTQLXDOK-KRWDZBQOSA-N 1 2 355.463 2.884 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1C#N ZINC000178996925 509216851 /nfs/dbraw/zinc/21/68/51/509216851.db2.gz LELZSNANHVDTRM-UHFFFAOYSA-N 1 2 360.458 2.578 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)NCC[N@H+]2CCOCC2(C)C)cc1C#N ZINC000178996925 509216860 /nfs/dbraw/zinc/21/68/60/509216860.db2.gz LELZSNANHVDTRM-UHFFFAOYSA-N 1 2 360.458 2.578 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000191862579 509217194 /nfs/dbraw/zinc/21/71/94/509217194.db2.gz DEJXZPCDOBTRPL-FQEVSTJZSA-N 1 2 364.424 2.773 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1C#N ZINC000178998253 509219210 /nfs/dbraw/zinc/21/92/10/509219210.db2.gz OENDAIFNNAPUDK-UHFFFAOYSA-N 1 2 360.458 2.578 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1C#N ZINC000178998253 509219215 /nfs/dbraw/zinc/21/92/15/509219215.db2.gz OENDAIFNNAPUDK-UHFFFAOYSA-N 1 2 360.458 2.578 20 30 FFEDLO CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000188800958 509269997 /nfs/dbraw/zinc/26/99/97/509269997.db2.gz WYZNDBDTBGOLMF-CYBMUJFWSA-N 1 2 353.426 2.510 20 30 FFEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000267004469 509303528 /nfs/dbraw/zinc/30/35/28/509303528.db2.gz JCWCGJRFBKINIM-NSHDSACASA-N 1 2 364.414 2.533 20 30 FFEDLO Cc1nc(CCCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000267311878 509442078 /nfs/dbraw/zinc/44/20/78/509442078.db2.gz ARGVOCXBJBMBLR-UHFFFAOYSA-N 1 2 368.506 2.990 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccccc1OC(F)F ZINC000176366076 509469678 /nfs/dbraw/zinc/46/96/78/509469678.db2.gz NNIDINLXTBSLGG-CYBMUJFWSA-N 1 2 359.380 2.660 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccccc1OC(F)F ZINC000176366076 509469684 /nfs/dbraw/zinc/46/96/84/509469684.db2.gz NNIDINLXTBSLGG-CYBMUJFWSA-N 1 2 359.380 2.660 20 30 FFEDLO CCN(C[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1)CC(F)(F)F ZINC000176404973 509492894 /nfs/dbraw/zinc/49/28/94/509492894.db2.gz AWVHGERQJCVLCD-LBPRGKRZSA-N 1 2 374.432 2.764 20 30 FFEDLO CCN(C[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1)CC(F)(F)F ZINC000176404973 509492899 /nfs/dbraw/zinc/49/28/99/509492899.db2.gz AWVHGERQJCVLCD-LBPRGKRZSA-N 1 2 374.432 2.764 20 30 FFEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000264493003 509561530 /nfs/dbraw/zinc/56/15/30/509561530.db2.gz SZCOBTJOBJARAC-KGLIPLIRSA-N 1 2 361.467 2.514 20 30 FFEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000264493003 509561537 /nfs/dbraw/zinc/56/15/37/509561537.db2.gz SZCOBTJOBJARAC-KGLIPLIRSA-N 1 2 361.467 2.514 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](O)C2)cc1OCC ZINC000179950218 509686298 /nfs/dbraw/zinc/68/62/98/509686298.db2.gz DKGDOAGOMYZUHY-CYBMUJFWSA-N 1 2 356.260 2.979 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](O)C2)cc1OCC ZINC000179950218 509686304 /nfs/dbraw/zinc/68/63/04/509686304.db2.gz DKGDOAGOMYZUHY-CYBMUJFWSA-N 1 2 356.260 2.979 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189660648 509688552 /nfs/dbraw/zinc/68/85/52/509688552.db2.gz SSIHEUWGYRORNI-RDJZCZTQSA-N 1 2 374.395 2.642 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189660648 509688561 /nfs/dbraw/zinc/68/85/61/509688561.db2.gz SSIHEUWGYRORNI-RDJZCZTQSA-N 1 2 374.395 2.642 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](OCCOC)C1 ZINC000189675677 509697333 /nfs/dbraw/zinc/69/73/33/509697333.db2.gz WNBZZZPUEXECMF-OAHLLOKOSA-N 1 2 350.484 2.641 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](OCCOC)C1 ZINC000189675677 509697343 /nfs/dbraw/zinc/69/73/43/509697343.db2.gz WNBZZZPUEXECMF-OAHLLOKOSA-N 1 2 350.484 2.641 20 30 FFEDLO CN(C)c1[nH+]cccc1CNC(=O)Nc1ncccc1OCCCC#N ZINC000186447273 509714823 /nfs/dbraw/zinc/71/48/23/509714823.db2.gz DDBKWIMSALHJFN-UHFFFAOYSA-N 1 2 354.414 2.547 20 30 FFEDLO C[C@@H](c1nc(-c2cccnc2)no1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000264880574 509755101 /nfs/dbraw/zinc/75/51/01/509755101.db2.gz CPQWDOWDIRIBCI-INIZCTEOSA-N 1 2 374.448 2.882 20 30 FFEDLO C=CC[C@@H](CO)NC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000183408545 509770121 /nfs/dbraw/zinc/77/01/21/509770121.db2.gz QJMJDPHDUJNYPH-HOTGVXAUSA-N 1 2 369.868 2.680 20 30 FFEDLO C=CC[C@@H](CO)NC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000183408545 509770128 /nfs/dbraw/zinc/77/01/28/509770128.db2.gz QJMJDPHDUJNYPH-HOTGVXAUSA-N 1 2 369.868 2.680 20 30 FFEDLO Cc1cccn2cc(CNS(=O)(=O)c3cccc(Cl)c3C#N)[nH+]c12 ZINC000180245356 509830338 /nfs/dbraw/zinc/83/03/38/509830338.db2.gz IKLAHVSQVQIZMF-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000183620194 509890854 /nfs/dbraw/zinc/89/08/54/509890854.db2.gz QPANAJKJPMXTIU-SFHVURJKSA-N 1 2 372.513 2.958 20 30 FFEDLO N#Cc1ccc2ncc(C[NH+]3CCC(O)(c4c(F)cccc4F)CC3)n2c1 ZINC000190023161 509891496 /nfs/dbraw/zinc/89/14/96/509891496.db2.gz HCLDHOFPYJROIX-UHFFFAOYSA-N 1 2 368.387 2.968 20 30 FFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171064090 509917948 /nfs/dbraw/zinc/91/79/48/509917948.db2.gz DBLYPOHCYJAGCQ-UHFFFAOYSA-N 1 2 358.486 2.589 20 30 FFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171064090 509917954 /nfs/dbraw/zinc/91/79/54/509917954.db2.gz DBLYPOHCYJAGCQ-UHFFFAOYSA-N 1 2 358.486 2.589 20 30 FFEDLO C[C@H](O[NH+]=C(N)c1ccc(N2CCCCC2)nc1)c1nc(C2CC2)no1 ZINC000174127661 509960228 /nfs/dbraw/zinc/96/02/28/509960228.db2.gz WLXMMVUTJVZPRG-LBPRGKRZSA-N 1 2 356.430 2.730 20 30 FFEDLO C[C@@H](Sc1cccc(C#N)c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000177355296 510010282 /nfs/dbraw/zinc/01/02/82/510010282.db2.gz IWTTYCPVEYUGQJ-OAHLLOKOSA-N 1 2 352.463 2.783 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)CSCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245581087 510019810 /nfs/dbraw/zinc/01/98/10/510019810.db2.gz HFVAPDDDMCPPFE-GDBMZVCRSA-N 1 2 355.866 2.987 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)CSCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245581087 510019817 /nfs/dbraw/zinc/01/98/17/510019817.db2.gz HFVAPDDDMCPPFE-GDBMZVCRSA-N 1 2 355.866 2.987 20 30 FFEDLO CSCC[C@@H](C)[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265464563 510068800 /nfs/dbraw/zinc/06/88/00/510068800.db2.gz AWMDFMFYFHCRMU-TZMCWYRMSA-N 1 2 358.467 2.585 20 30 FFEDLO CSCC[C@@H](C)[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265464563 510068807 /nfs/dbraw/zinc/06/88/07/510068807.db2.gz AWMDFMFYFHCRMU-TZMCWYRMSA-N 1 2 358.467 2.585 20 30 FFEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)NCCCCC#N)c2ccc(Cl)cc2)C1 ZINC000245797189 510150146 /nfs/dbraw/zinc/15/01/46/510150146.db2.gz YNFIPKTWAQYOFL-SJORKVTESA-N 1 2 364.877 2.705 20 30 FFEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)NCCCCC#N)c2ccc(Cl)cc2)C1 ZINC000245797189 510150153 /nfs/dbraw/zinc/15/01/53/510150153.db2.gz YNFIPKTWAQYOFL-SJORKVTESA-N 1 2 364.877 2.705 20 30 FFEDLO N#Cc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(F)c1 ZINC000171482960 510187140 /nfs/dbraw/zinc/18/71/40/510187140.db2.gz DSDVYOVOLVUWNL-UHFFFAOYSA-N 1 2 353.401 2.692 20 30 FFEDLO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccc(Cl)cc1C#N ZINC000187327177 510198255 /nfs/dbraw/zinc/19/82/55/510198255.db2.gz KVMQEFZOYWVFMN-UHFFFAOYSA-N 1 2 353.809 2.940 20 30 FFEDLO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccc(Cl)cc1C#N ZINC000187327177 510198261 /nfs/dbraw/zinc/19/82/61/510198261.db2.gz KVMQEFZOYWVFMN-UHFFFAOYSA-N 1 2 353.809 2.940 20 30 FFEDLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)n1 ZINC000184241975 510213632 /nfs/dbraw/zinc/21/36/32/510213632.db2.gz CWSNOVDDFAVURG-ZDUSSCGKSA-N 1 2 366.450 2.798 20 30 FFEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000177726426 510220164 /nfs/dbraw/zinc/22/01/64/510220164.db2.gz GKGJJEQLGFFYDO-DLUDVSRJSA-N 1 2 355.463 2.927 20 30 FFEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000177726426 510220168 /nfs/dbraw/zinc/22/01/68/510220168.db2.gz GKGJJEQLGFFYDO-DLUDVSRJSA-N 1 2 355.463 2.927 20 30 FFEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000177728509 510221621 /nfs/dbraw/zinc/22/16/21/510221621.db2.gz RKUDVVIIIFZNIY-FNODVLLQSA-N 1 2 361.492 2.989 20 30 FFEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000177728509 510221627 /nfs/dbraw/zinc/22/16/27/510221627.db2.gz RKUDVVIIIFZNIY-FNODVLLQSA-N 1 2 361.492 2.989 20 30 FFEDLO C=C(C)[C@H](NC(=O)N[C@@H](C)C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000187373726 510227289 /nfs/dbraw/zinc/22/72/89/510227289.db2.gz POOPCDQUGACTBH-GUYCJALGSA-N 1 2 353.413 2.602 20 30 FFEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000184349743 510277070 /nfs/dbraw/zinc/27/70/70/510277070.db2.gz WGNYPUWHXSIRLL-IRXDYDNUSA-N 1 2 372.469 2.696 20 30 FFEDLO CCc1cc(N2CCN(c3ccc(C#N)cn3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000171945055 510466543 /nfs/dbraw/zinc/46/65/43/510466543.db2.gz YBWSMHJABZIGGT-UHFFFAOYSA-N 1 2 371.448 2.694 20 30 FFEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc([S@](C)=O)cc1 ZINC000178411690 510591897 /nfs/dbraw/zinc/59/18/97/510591897.db2.gz BOIOWUMRKBLLCJ-SANMLTNESA-N 1 2 369.490 2.803 20 30 FFEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc([S@](C)=O)cc1 ZINC000178411690 510591903 /nfs/dbraw/zinc/59/19/03/510591903.db2.gz BOIOWUMRKBLLCJ-SANMLTNESA-N 1 2 369.490 2.803 20 30 FFEDLO C=CCn1c(SCC[N@@H+]2CCO[C@@H](C)C2)nnc1-c1ccccc1OC ZINC000188248535 510668861 /nfs/dbraw/zinc/66/88/61/510668861.db2.gz KOODTLBPKMRUNA-HNNXBMFYSA-N 1 2 374.510 2.953 20 30 FFEDLO C=CCn1c(SCC[N@H+]2CCO[C@@H](C)C2)nnc1-c1ccccc1OC ZINC000188248535 510668869 /nfs/dbraw/zinc/66/88/69/510668869.db2.gz KOODTLBPKMRUNA-HNNXBMFYSA-N 1 2 374.510 2.953 20 30 FFEDLO C=CCC[C@@H](O)C[N@@H+](CC(=O)OC)Cc1cccc(Br)c1 ZINC000191614460 510752434 /nfs/dbraw/zinc/75/24/34/510752434.db2.gz XLLBUTSAIMWERU-OAHLLOKOSA-N 1 2 356.260 2.751 20 30 FFEDLO C=CCC[C@@H](O)C[N@H+](CC(=O)OC)Cc1cccc(Br)c1 ZINC000191614460 510752436 /nfs/dbraw/zinc/75/24/36/510752436.db2.gz XLLBUTSAIMWERU-OAHLLOKOSA-N 1 2 356.260 2.751 20 30 FFEDLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000178791277 510774808 /nfs/dbraw/zinc/77/48/08/510774808.db2.gz KGPVRTDMSLIWSR-NIYFSFCBSA-N 1 2 367.474 2.533 20 30 FFEDLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000178791277 510774810 /nfs/dbraw/zinc/77/48/10/510774810.db2.gz KGPVRTDMSLIWSR-NIYFSFCBSA-N 1 2 367.474 2.533 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000195404433 510814831 /nfs/dbraw/zinc/81/48/31/510814831.db2.gz UDHWYHKSJZQMOL-HKUYNNGSSA-N 1 2 374.506 2.993 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000195404433 510814837 /nfs/dbraw/zinc/81/48/37/510814837.db2.gz UDHWYHKSJZQMOL-HKUYNNGSSA-N 1 2 374.506 2.993 20 30 FFEDLO CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000195415344 510818940 /nfs/dbraw/zinc/81/89/40/510818940.db2.gz SOSFLNIIIDDSHQ-CVEARBPZSA-N 1 2 365.481 2.532 20 30 FFEDLO [O-]C(N[C@H]1CCCN(c2ccccc2F)C1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329908797 510874326 /nfs/dbraw/zinc/87/43/26/510874326.db2.gz UOEBDMUQIUJJRY-HOTGVXAUSA-N 1 2 371.460 2.757 20 30 FFEDLO CN(C)c1ccc(CNC(=O)N2CC[C@@]3(C2)OCc2ccccc23)c[nH+]1 ZINC000329985059 510893839 /nfs/dbraw/zinc/89/38/39/510893839.db2.gz QUXPECIAKHYUGE-FQEVSTJZSA-N 1 2 352.438 2.693 20 30 FFEDLO C[C@H](Sc1ccccn1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000330001678 510898427 /nfs/dbraw/zinc/89/84/27/510898427.db2.gz YEISBTUNZIOLKM-YOEHRIQHSA-N 1 2 367.540 2.727 20 30 FFEDLO COC1(CC(=O)Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)CCC1 ZINC000330037950 510904202 /nfs/dbraw/zinc/90/42/02/510904202.db2.gz DQWRDHGJLWMCRD-UHFFFAOYSA-N 1 2 359.470 2.898 20 30 FFEDLO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2=O)cc1 ZINC000330073042 510910952 /nfs/dbraw/zinc/91/09/52/510910952.db2.gz KDWVQPKJFKQDLG-AEFFLSMTSA-N 1 2 352.438 2.512 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330125063 510920790 /nfs/dbraw/zinc/92/07/90/510920790.db2.gz LSLYFDVERRTDCE-LVCYWYKZSA-N 1 2 371.481 2.592 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330125063 510920797 /nfs/dbraw/zinc/92/07/97/510920797.db2.gz LSLYFDVERRTDCE-LVCYWYKZSA-N 1 2 371.481 2.592 20 30 FFEDLO CC[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1nnc2n1CCCCC2 ZINC000330177391 510931357 /nfs/dbraw/zinc/93/13/57/510931357.db2.gz CYSLTGHIZGSAFH-MRXNPFEDSA-N 1 2 371.489 2.903 20 30 FFEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC(O)(C(F)F)CC1 ZINC000330204360 510936621 /nfs/dbraw/zinc/93/66/21/510936621.db2.gz BNQMMJLOKAQETG-UHFFFAOYSA-N 1 2 374.457 2.767 20 30 FFEDLO CN(C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CCCC[C@H]1O ZINC000330270737 510952469 /nfs/dbraw/zinc/95/24/69/510952469.db2.gz USPGEFDFNZGKKK-HUUCEWRRSA-N 1 2 352.504 2.910 20 30 FFEDLO CCN1CCN(C(=O)Nc2cc(C(=O)NC)ccc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330281911 510955899 /nfs/dbraw/zinc/95/58/99/510955899.db2.gz AESZRNBDHHVJBH-MRXNPFEDSA-N 1 2 370.457 2.577 20 30 FFEDLO N#Cc1ccccc1OCC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282404307 510963443 /nfs/dbraw/zinc/96/34/43/510963443.db2.gz SFDAZLWVMYLJDI-KRWDZBQOSA-N 1 2 364.449 2.876 20 30 FFEDLO CCN1CCN(C(=O)NC[C@@H]2CCc3ccccc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330334057 510967416 /nfs/dbraw/zinc/96/74/16/510967416.db2.gz QGNSSGSWRUEBIH-FUHWJXTLSA-N 1 2 353.470 2.732 20 30 FFEDLO N#CC(CC[N@H+]1CCSC[C@H]1C(N)=O)(c1ccccc1)c1ccccc1 ZINC000277589011 510967583 /nfs/dbraw/zinc/96/75/83/510967583.db2.gz DBKMVKNKOWMBPB-IBGZPJMESA-N 1 2 365.502 2.789 20 30 FFEDLO N#CC(CC[N@@H+]1CCSC[C@H]1C(N)=O)(c1ccccc1)c1ccccc1 ZINC000277589011 510967586 /nfs/dbraw/zinc/96/75/86/510967586.db2.gz DBKMVKNKOWMBPB-IBGZPJMESA-N 1 2 365.502 2.789 20 30 FFEDLO CCN1CCN(C(=O)Nc2cccc(Cl)c2OC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330354933 510972620 /nfs/dbraw/zinc/97/26/20/510972620.db2.gz PZYQCESORIKLKP-CQSZACIVSA-N 1 2 363.849 2.996 20 30 FFEDLO CO[C@H](C)c1cccc(NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000330354726 510973579 /nfs/dbraw/zinc/97/35/79/510973579.db2.gz PTBWWEKAAQEQEI-RHSMWYFYSA-N 1 2 357.458 2.662 20 30 FFEDLO CS(=O)(=O)[C@H]1CCCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000277801674 510974000 /nfs/dbraw/zinc/97/40/00/510974000.db2.gz PLJGCCYHHWDNJX-INIZCTEOSA-N 1 2 359.413 2.956 20 30 FFEDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000277801674 510974005 /nfs/dbraw/zinc/97/40/05/510974005.db2.gz PLJGCCYHHWDNJX-INIZCTEOSA-N 1 2 359.413 2.956 20 30 FFEDLO C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278060294 510980694 /nfs/dbraw/zinc/98/06/94/510980694.db2.gz KGCUEJKNLHJNDL-CQSZACIVSA-N 1 2 352.438 2.906 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)C2CC[NH+](CC(F)F)CC2)cc1 ZINC000287679204 511055764 /nfs/dbraw/zinc/05/57/64/511055764.db2.gz YDYGXTZKTFEONO-UHFFFAOYSA-N 1 2 351.397 2.518 20 30 FFEDLO CC[N@H+](CCC#N)Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000294558312 511102923 /nfs/dbraw/zinc/10/29/23/511102923.db2.gz MBVVWLJGETYVOG-LBPRGKRZSA-N 1 2 368.275 2.698 20 30 FFEDLO CC[N@@H+](CCC#N)Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000294558312 511102928 /nfs/dbraw/zinc/10/29/28/511102928.db2.gz MBVVWLJGETYVOG-LBPRGKRZSA-N 1 2 368.275 2.698 20 30 FFEDLO CCOC(=O)Nc1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1C#N ZINC000364896236 511139169 /nfs/dbraw/zinc/13/91/69/511139169.db2.gz PEPIMRCVWCHIQK-LBPRGKRZSA-N 1 2 353.382 2.524 20 30 FFEDLO CC(C)[C@H]1C[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CCO1 ZINC000271357437 511175877 /nfs/dbraw/zinc/17/58/77/511175877.db2.gz XLSUJBZVOLAGPK-KBXCAEBGSA-N 1 2 368.481 2.850 20 30 FFEDLO Cc1ncc(C[NH+]2CCN(C(=O)NCC3CCC(C#N)CC3)CC2)s1 ZINC000333112099 511180357 /nfs/dbraw/zinc/18/03/57/511180357.db2.gz SJUTWABTUYLYGA-UHFFFAOYSA-N 1 2 361.515 2.609 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccccc2N2CCO[C@H](C)C2)n1 ZINC000298142310 511187631 /nfs/dbraw/zinc/18/76/31/511187631.db2.gz QVLSURMTQNCGRQ-GOSISDBHSA-N 1 2 352.482 2.764 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccccc2N2CCO[C@H](C)C2)n1 ZINC000298142310 511187635 /nfs/dbraw/zinc/18/76/35/511187635.db2.gz QVLSURMTQNCGRQ-GOSISDBHSA-N 1 2 352.482 2.764 20 30 FFEDLO N#CCC1(CS(=O)(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CC1 ZINC000333375437 511222149 /nfs/dbraw/zinc/22/21/49/511222149.db2.gz DULFNTYLLCXWDT-UHFFFAOYSA-N 1 2 362.499 2.575 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc4c(n3)CCCC4)CC2)cc1 ZINC000333398447 511230543 /nfs/dbraw/zinc/23/05/43/511230543.db2.gz BDKLTPWRTVAZKE-UHFFFAOYSA-N 1 2 360.461 2.790 20 30 FFEDLO N#CCCn1cc(C[NH+]2CC(O)(c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000291555797 511244849 /nfs/dbraw/zinc/24/48/49/511244849.db2.gz MSAPLSTYKFSQCN-UHFFFAOYSA-N 1 2 359.433 2.562 20 30 FFEDLO Cc1nc2c(cccc2C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000279991543 511294232 /nfs/dbraw/zinc/29/42/32/511294232.db2.gz OTDNRICNRSFWRP-UHFFFAOYSA-N 1 2 360.417 2.966 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000279998257 511297102 /nfs/dbraw/zinc/29/71/02/511297102.db2.gz WJHAFSSMQNKNNC-BNEJOLLZSA-N 1 2 350.409 2.807 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000279998257 511297107 /nfs/dbraw/zinc/29/71/07/511297107.db2.gz WJHAFSSMQNKNNC-BNEJOLLZSA-N 1 2 350.409 2.807 20 30 FFEDLO CSc1cccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292075867 511455130 /nfs/dbraw/zinc/45/51/30/511455130.db2.gz DDGQBZYDSDIDDB-INIZCTEOSA-N 1 2 368.462 2.767 20 30 FFEDLO CSc1cccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292075867 511455134 /nfs/dbraw/zinc/45/51/34/511455134.db2.gz DDGQBZYDSDIDDB-INIZCTEOSA-N 1 2 368.462 2.767 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3F)C2)nc1 ZINC000292174477 511493128 /nfs/dbraw/zinc/49/31/28/511493128.db2.gz MBKWKGXICFCHCB-AWEZNQCLSA-N 1 2 374.803 2.838 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3F)C2)nc1 ZINC000292174477 511493131 /nfs/dbraw/zinc/49/31/31/511493131.db2.gz MBKWKGXICFCHCB-AWEZNQCLSA-N 1 2 374.803 2.838 20 30 FFEDLO CC1(C#N)CC[NH+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000272475564 511495124 /nfs/dbraw/zinc/49/51/24/511495124.db2.gz ALVZMCSYWOUZOB-UHFFFAOYSA-N 1 2 363.383 2.799 20 30 FFEDLO C[C@@H]1CN(c2ccc(NC(=O)C[NH+]3CCC(C)(C#N)CC3)cc2)C[C@H](C)O1 ZINC000272592671 511499633 /nfs/dbraw/zinc/49/96/33/511499633.db2.gz PQHRWZOILXJATC-CALCHBBNSA-N 1 2 370.497 2.864 20 30 FFEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]CC(=O)N(CC)C[C@@H](C)C#N)n2)cc1 ZINC000273319222 511522123 /nfs/dbraw/zinc/52/21/23/511522123.db2.gz PCCKCISNRUHXIC-GJZGRUSLSA-N 1 2 369.469 2.958 20 30 FFEDLO Cc1cccc(CC2(O)CC[NH+](CC(=O)Nc3sccc3C#N)CC2)c1 ZINC000280626960 511537775 /nfs/dbraw/zinc/53/77/75/511537775.db2.gz XCCXDAZDVAILHS-UHFFFAOYSA-N 1 2 369.490 2.936 20 30 FFEDLO COC(=O)c1cc([C@@H](C)[NH+]2CCN(c3ncccc3C#N)CC2)oc1C ZINC000292587808 511651626 /nfs/dbraw/zinc/65/16/26/511651626.db2.gz ZYUXYPYXYJCZGU-CYBMUJFWSA-N 1 2 354.410 2.525 20 30 FFEDLO CC1(C)C[C@]1(C#N)NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000292590452 511653050 /nfs/dbraw/zinc/65/30/50/511653050.db2.gz VYVMNPNPNDAVAI-OAQYLSRUSA-N 1 2 364.449 2.965 20 30 FFEDLO Cc1ccc([C@H](CNc2nc3ccccn3c2C#N)[NH+]2CCOCC2)cc1 ZINC000302090516 511705751 /nfs/dbraw/zinc/70/57/51/511705751.db2.gz MBIZNPLOSSUFOC-IBGZPJMESA-N 1 2 361.449 3.000 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000363709834 511717593 /nfs/dbraw/zinc/71/75/93/511717593.db2.gz GSEKTKQTXRGYRA-UHFFFAOYSA-N 1 2 374.379 2.602 20 30 FFEDLO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000293210201 511882225 /nfs/dbraw/zinc/88/22/25/511882225.db2.gz GGUAZAGOGLPSPI-CYBMUJFWSA-N 1 2 371.300 2.577 20 30 FFEDLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000293210201 511882230 /nfs/dbraw/zinc/88/22/30/511882230.db2.gz GGUAZAGOGLPSPI-CYBMUJFWSA-N 1 2 371.300 2.577 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCC3CCOCC3)CC2)cc1 ZINC000281567810 511892483 /nfs/dbraw/zinc/89/24/83/511892483.db2.gz QZFDKOVSJWCLFC-UHFFFAOYSA-N 1 2 355.482 2.799 20 30 FFEDLO N#Cc1ccsc1C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000328627365 511897430 /nfs/dbraw/zinc/89/74/30/511897430.db2.gz MSLJTCSXPBDALA-OAHLLOKOSA-N 1 2 368.462 2.908 20 30 FFEDLO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)c1cn2c(n1)CCCC2 ZINC000328729023 511921715 /nfs/dbraw/zinc/92/17/15/511921715.db2.gz VWOGNSBRXIRSHH-GOSISDBHSA-N 1 2 354.454 2.598 20 30 FFEDLO Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000328809629 511934135 /nfs/dbraw/zinc/93/41/35/511934135.db2.gz OCHRPWZIQGLCNY-WBVHZDCISA-N 1 2 352.438 2.914 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)C1=O ZINC000328816617 511935434 /nfs/dbraw/zinc/93/54/34/511935434.db2.gz NXNGOJFDZHBQBZ-IRXDYDNUSA-N 1 2 357.502 2.819 20 30 FFEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)C1=O ZINC000328816617 511935438 /nfs/dbraw/zinc/93/54/38/511935438.db2.gz NXNGOJFDZHBQBZ-IRXDYDNUSA-N 1 2 357.502 2.819 20 30 FFEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@@H](CO)C3)n2)C1 ZINC000328873242 511943559 /nfs/dbraw/zinc/94/35/59/511943559.db2.gz YVHPRNMSPZJVHB-UONOGXRCSA-N 1 2 352.504 2.625 20 30 FFEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@@H](CO)C3)n2)C1 ZINC000328873242 511943564 /nfs/dbraw/zinc/94/35/64/511943564.db2.gz YVHPRNMSPZJVHB-UONOGXRCSA-N 1 2 352.504 2.625 20 30 FFEDLO O=C(NCCC1(O)CCC1)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000328901953 511947858 /nfs/dbraw/zinc/94/78/58/511947858.db2.gz ZTEISNJYIIVVPQ-AWEZNQCLSA-N 1 2 367.440 2.738 20 30 FFEDLO O=C(NCCC1(O)CCC1)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000328901953 511947859 /nfs/dbraw/zinc/94/78/59/511947859.db2.gz ZTEISNJYIIVVPQ-AWEZNQCLSA-N 1 2 367.440 2.738 20 30 FFEDLO Cn1c2ccccc2nc1N1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000328909827 511948891 /nfs/dbraw/zinc/94/88/91/511948891.db2.gz NBJFAJZKUVPVNI-UHFFFAOYSA-N 1 2 355.486 2.985 20 30 FFEDLO O=C(Nc1scnc1C1CC1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000328912791 511949421 /nfs/dbraw/zinc/94/94/21/511949421.db2.gz HNBNNKZYSMWPJP-AWEZNQCLSA-N 1 2 350.488 2.753 20 30 FFEDLO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)CCC1=O ZINC000328977489 511960189 /nfs/dbraw/zinc/96/01/89/511960189.db2.gz DIYZMMPTMWQHFK-DZDCQFRTSA-N 1 2 372.469 2.576 20 30 FFEDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000296985048 511977093 /nfs/dbraw/zinc/97/70/93/511977093.db2.gz ZFXIALZXWDLWPB-ZDUSSCGKSA-N 1 2 352.232 2.593 20 30 FFEDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000296985048 511977101 /nfs/dbraw/zinc/97/71/01/511977101.db2.gz ZFXIALZXWDLWPB-ZDUSSCGKSA-N 1 2 352.232 2.593 20 30 FFEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cc(F)ccc3OCC3CC3)C[C@H]21 ZINC000329121222 511987526 /nfs/dbraw/zinc/98/75/26/511987526.db2.gz KKPATNNURFCARE-SJLPKXTDSA-N 1 2 363.433 2.565 20 30 FFEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cc(F)ccc3OCC3CC3)C[C@H]21 ZINC000329121222 511987533 /nfs/dbraw/zinc/98/75/33/511987533.db2.gz KKPATNNURFCARE-SJLPKXTDSA-N 1 2 363.433 2.565 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@H]1C ZINC000293508754 511991219 /nfs/dbraw/zinc/99/12/19/511991219.db2.gz UYHAYMDSJGSBNQ-PMPSAXMXSA-N 1 2 370.497 2.696 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@H]1C ZINC000293508754 511991227 /nfs/dbraw/zinc/99/12/27/511991227.db2.gz UYHAYMDSJGSBNQ-PMPSAXMXSA-N 1 2 370.497 2.696 20 30 FFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285078237 511991848 /nfs/dbraw/zinc/99/18/48/511991848.db2.gz NDTQRXAOHLRKDS-CQSZACIVSA-N 1 2 371.416 2.535 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)NCC1CCCC1 ZINC000329164802 511996358 /nfs/dbraw/zinc/99/63/58/511996358.db2.gz HDYJVLNGDSFQIC-HOTGVXAUSA-N 1 2 352.454 2.898 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)NCC1CCCC1 ZINC000329164802 511996364 /nfs/dbraw/zinc/99/63/64/511996364.db2.gz HDYJVLNGDSFQIC-HOTGVXAUSA-N 1 2 352.454 2.898 20 30 FFEDLO CN(C)c1ccc(CNC(=O)Nc2ncccc2OCCCC#N)c[nH+]1 ZINC000274961001 511999459 /nfs/dbraw/zinc/99/94/59/511999459.db2.gz PQLOPCLIOPIWFA-UHFFFAOYSA-N 1 2 354.414 2.547 20 30 FFEDLO C[C@H](Sc1nncn1C)C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329252815 512015354 /nfs/dbraw/zinc/01/53/54/512015354.db2.gz CBDWLGGVYXLDIU-RYUDHWBXSA-N 1 2 362.503 2.761 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H]1CCCc3c[nH]nc31)CC2 ZINC000329360000 512033054 /nfs/dbraw/zinc/03/30/54/512033054.db2.gz XSRNRYWDMHGFJG-INIZCTEOSA-N 1 2 370.453 2.819 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H]1CCCc3c[nH]nc31)CC2 ZINC000329360000 512033058 /nfs/dbraw/zinc/03/30/58/512033058.db2.gz XSRNRYWDMHGFJG-INIZCTEOSA-N 1 2 370.453 2.819 20 30 FFEDLO O=C(C[NH+]1CCN(c2ccc(F)cn2)CC1)N[C@H]1CCOc2ccccc21 ZINC000329394341 512039781 /nfs/dbraw/zinc/03/97/81/512039781.db2.gz SWEPJYQMXSSPFJ-KRWDZBQOSA-N 1 2 370.428 2.823 20 30 FFEDLO CC[C@H]1CCCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000329408747 512040350 /nfs/dbraw/zinc/04/03/50/512040350.db2.gz DGZURKMXOZBPDJ-INIZCTEOSA-N 1 2 373.501 2.527 20 30 FFEDLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000329419859 512043295 /nfs/dbraw/zinc/04/32/95/512043295.db2.gz DDJWFSVRRJHWIP-ZDUSSCGKSA-N 1 2 359.451 2.909 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@@H]1C1CCOCC1 ZINC000329452133 512049042 /nfs/dbraw/zinc/04/90/42/512049042.db2.gz LTFUDXXUJUKOPF-GOSISDBHSA-N 1 2 374.485 2.663 20 30 FFEDLO O=C(N[C@@H]1CC(=O)N(C2CCCCC2)C1)C1CC[NH+](CC(F)F)CC1 ZINC000329567900 512071109 /nfs/dbraw/zinc/07/11/09/512071109.db2.gz TYAHPMVEQUDGAE-CQSZACIVSA-N 1 2 357.445 2.854 20 30 FFEDLO CC1CCN(c2ccc(CNC(=O)CN3C(=O)NC(=O)C3(C)C)c[nH+]2)CC1 ZINC000329761793 512094559 /nfs/dbraw/zinc/09/45/59/512094559.db2.gz RYAWWWKEQVFHEG-UHFFFAOYSA-N 1 2 373.457 2.945 20 30 FFEDLO Cc1nc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccc1-c1ccccc1 ZINC000329777151 512096298 /nfs/dbraw/zinc/09/62/98/512096298.db2.gz KIKZLXOBQAAJFE-ROUUACIJSA-N 1 2 352.438 2.617 20 30 FFEDLO Cc1nc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)ccc1-c1ccccc1 ZINC000329777151 512096300 /nfs/dbraw/zinc/09/63/00/512096300.db2.gz KIKZLXOBQAAJFE-ROUUACIJSA-N 1 2 352.438 2.617 20 30 FFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@H](C)NC(=O)C2CCCCC2)CC1 ZINC000329823057 512101863 /nfs/dbraw/zinc/10/18/63/512101863.db2.gz HJINOGDKMXKOKE-INIZCTEOSA-N 1 2 358.486 2.964 20 30 FFEDLO CCOC(=O)Nc1ccc(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1C#N ZINC000377820300 512465589 /nfs/dbraw/zinc/46/55/89/512465589.db2.gz CNDZTZSXTODEQU-ZDUSSCGKSA-N 1 2 368.397 2.529 20 30 FFEDLO CCOC(=O)Nc1ccc(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1C#N ZINC000377820300 512465592 /nfs/dbraw/zinc/46/55/92/512465592.db2.gz CNDZTZSXTODEQU-ZDUSSCGKSA-N 1 2 368.397 2.529 20 30 FFEDLO N#Cc1ccc(OCc2cccc(C(=O)N3CCn4c[nH+]cc4C3)c2)cc1 ZINC000378100484 512589187 /nfs/dbraw/zinc/58/91/87/512589187.db2.gz PMXAVFAMUYDNPV-UHFFFAOYSA-N 1 2 358.401 2.990 20 30 FFEDLO N#Cc1cccc(CCNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000373957506 512592134 /nfs/dbraw/zinc/59/21/34/512592134.db2.gz IPRFULQCSJTHDR-UHFFFAOYSA-N 1 2 363.396 2.925 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC[C@H]3c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000367840821 512684941 /nfs/dbraw/zinc/68/49/41/512684941.db2.gz ILUJKETYZKNNEK-PBHICJAKSA-N 1 2 353.401 2.610 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000374292962 512749880 /nfs/dbraw/zinc/74/98/80/512749880.db2.gz OPSXQMOLYNRJNJ-UHFFFAOYSA-N 1 2 374.488 2.787 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3cc(=O)oc4cc(O)ccc34)CCO2)c1 ZINC000372343125 512825750 /nfs/dbraw/zinc/82/57/50/512825750.db2.gz BDCZBMDZKMTNCY-FQEVSTJZSA-N 1 2 362.385 2.944 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cc(=O)oc4cc(O)ccc34)CCO2)c1 ZINC000372343125 512825756 /nfs/dbraw/zinc/82/57/56/512825756.db2.gz BDCZBMDZKMTNCY-FQEVSTJZSA-N 1 2 362.385 2.944 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000383069659 512880800 /nfs/dbraw/zinc/88/08/00/512880800.db2.gz KGWTYEPXFKQZCL-QGZVFWFLSA-N 1 2 369.490 2.594 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000383069659 512880803 /nfs/dbraw/zinc/88/08/03/512880803.db2.gz KGWTYEPXFKQZCL-QGZVFWFLSA-N 1 2 369.490 2.594 20 30 FFEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000368469109 512963600 /nfs/dbraw/zinc/96/36/00/512963600.db2.gz FANONMTUHVTBPY-CQSZACIVSA-N 1 2 362.393 2.880 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1cccc(Br)c1 ZINC000376935904 513057328 /nfs/dbraw/zinc/05/73/28/513057328.db2.gz AEWNCTLLWHBHFV-GXTWGEPZSA-N 1 2 359.227 2.589 20 30 FFEDLO CC1(C)C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000408424200 513064742 /nfs/dbraw/zinc/06/47/42/513064742.db2.gz SQDVVPQSXYHJJJ-NKMKZGIRSA-N 1 2 353.466 2.754 20 30 FFEDLO CC1(C)C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000408424200 513064747 /nfs/dbraw/zinc/06/47/47/513064747.db2.gz SQDVVPQSXYHJJJ-NKMKZGIRSA-N 1 2 353.466 2.754 20 30 FFEDLO C=CCNc1ncc(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3[C@H](C)CO)s1 ZINC000412402740 513065752 /nfs/dbraw/zinc/06/57/52/513065752.db2.gz OCYFCDRHNHXLLQ-LLVKDONJSA-N 1 2 371.466 2.627 20 30 FFEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000450319047 513140013 /nfs/dbraw/zinc/14/00/13/513140013.db2.gz KUZNPGNLUUPQTD-ROUUACIJSA-N 1 2 372.856 2.650 20 30 FFEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000450319047 513140021 /nfs/dbraw/zinc/14/00/21/513140021.db2.gz KUZNPGNLUUPQTD-ROUUACIJSA-N 1 2 372.856 2.650 20 30 FFEDLO COCC[N@H+](Cc1ccn(CC(F)(F)F)n1)Cc1ccc(C#N)cc1 ZINC000450319143 513140602 /nfs/dbraw/zinc/14/06/02/513140602.db2.gz XXRHSQFTLLFEIG-UHFFFAOYSA-N 1 2 352.360 2.966 20 30 FFEDLO COCC[N@@H+](Cc1ccn(CC(F)(F)F)n1)Cc1ccc(C#N)cc1 ZINC000450319143 513140607 /nfs/dbraw/zinc/14/06/07/513140607.db2.gz XXRHSQFTLLFEIG-UHFFFAOYSA-N 1 2 352.360 2.966 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cc1 ZINC000446071192 513177002 /nfs/dbraw/zinc/17/70/02/513177002.db2.gz IMTMZHJZYNDHRP-BBWFWOEESA-N 1 2 359.470 2.830 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cc1 ZINC000446071192 513177008 /nfs/dbraw/zinc/17/70/08/513177008.db2.gz IMTMZHJZYNDHRP-BBWFWOEESA-N 1 2 359.470 2.830 20 30 FFEDLO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000428830578 513204178 /nfs/dbraw/zinc/20/41/78/513204178.db2.gz BRISQXSZFVTTTR-OAHLLOKOSA-N 1 2 372.437 2.949 20 30 FFEDLO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000428830578 513204183 /nfs/dbraw/zinc/20/41/83/513204183.db2.gz BRISQXSZFVTTTR-OAHLLOKOSA-N 1 2 372.437 2.949 20 30 FFEDLO CCc1cc(CCC[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)on1 ZINC000450609487 513271970 /nfs/dbraw/zinc/27/19/70/513271970.db2.gz DVQCJDRYDACECW-XOBRGWDASA-N 1 2 350.422 2.515 20 30 FFEDLO CCc1cc(CCC[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)on1 ZINC000450609487 513271979 /nfs/dbraw/zinc/27/19/79/513271979.db2.gz DVQCJDRYDACECW-XOBRGWDASA-N 1 2 350.422 2.515 20 30 FFEDLO Cc1ccc(C#N)cc1NC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000440920833 513437813 /nfs/dbraw/zinc/43/78/13/513437813.db2.gz JCLLWOFVBOQNJV-FQEVSTJZSA-N 1 2 372.469 2.794 20 30 FFEDLO CCOc1ccccc1C(=O)N1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425202939 513449598 /nfs/dbraw/zinc/44/95/98/513449598.db2.gz DGIGQJWRGFPENC-UHFFFAOYSA-N 1 2 350.422 2.623 20 30 FFEDLO N#Cc1ncc(C(F)(F)F)cc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000413116289 513457943 /nfs/dbraw/zinc/45/79/43/513457943.db2.gz VWVOJXBYQGCGIY-UHFFFAOYSA-N 1 2 362.355 3.000 20 30 FFEDLO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)Cc2ccccc21 ZINC000441118555 513490355 /nfs/dbraw/zinc/49/03/55/513490355.db2.gz CDFLBNQNNYDQMS-FPDPHYFHSA-N 1 2 371.481 2.592 20 30 FFEDLO CCOC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)Cc2ccccc21 ZINC000441118555 513490362 /nfs/dbraw/zinc/49/03/62/513490362.db2.gz CDFLBNQNNYDQMS-FPDPHYFHSA-N 1 2 371.481 2.592 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+](Cc3ccc(C(N)=O)cc3)C3CC3)o2)cc1 ZINC000441253771 513521726 /nfs/dbraw/zinc/52/17/26/513521726.db2.gz DMUYIRMJDUXCEQ-UHFFFAOYSA-N 1 2 373.416 2.872 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+](Cc3ccc(C(N)=O)cc3)C3CC3)o2)cc1 ZINC000441253771 513521734 /nfs/dbraw/zinc/52/17/34/513521734.db2.gz DMUYIRMJDUXCEQ-UHFFFAOYSA-N 1 2 373.416 2.872 20 30 FFEDLO Cc1ccccc1[C@@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000441459352 513573817 /nfs/dbraw/zinc/57/38/17/513573817.db2.gz VXQLGZOIRGWNKP-UWJYYQICSA-N 1 2 363.461 2.945 20 30 FFEDLO Cc1ccccc1[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000441459352 513573827 /nfs/dbraw/zinc/57/38/27/513573827.db2.gz VXQLGZOIRGWNKP-UWJYYQICSA-N 1 2 363.461 2.945 20 30 FFEDLO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451213945 513597484 /nfs/dbraw/zinc/59/74/84/513597484.db2.gz UMPSYTHWVLXJIR-UKRRQHHQSA-N 1 2 367.902 2.653 20 30 FFEDLO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451213945 513597493 /nfs/dbraw/zinc/59/74/93/513597493.db2.gz UMPSYTHWVLXJIR-UKRRQHHQSA-N 1 2 367.902 2.653 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000425530418 513622379 /nfs/dbraw/zinc/62/23/79/513622379.db2.gz FLASKELSOVRKLI-HNNXBMFYSA-N 1 2 353.447 2.897 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000425530418 513622384 /nfs/dbraw/zinc/62/23/84/513622384.db2.gz FLASKELSOVRKLI-HNNXBMFYSA-N 1 2 353.447 2.897 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000435604008 513632936 /nfs/dbraw/zinc/63/29/36/513632936.db2.gz BHLZJBRYTYWNRU-LPHOPBHVSA-N 1 2 361.442 2.820 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000442959847 513829079 /nfs/dbraw/zinc/82/90/79/513829079.db2.gz VYZBXQQZNYTYOB-FQEVSTJZSA-N 1 2 356.470 2.978 20 30 FFEDLO Cc1ccn2cc(CNS(=O)(=O)c3cccc(Cl)c3C#N)[nH+]c2c1 ZINC000443007399 513840672 /nfs/dbraw/zinc/84/06/72/513840672.db2.gz NXMQVMLRQURNOX-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3C[C@H]3c3ccco3)CC2)cc1 ZINC000413853834 513849762 /nfs/dbraw/zinc/84/97/62/513849762.db2.gz JJQOIIXAXWWXSS-QZTJIDSGSA-N 1 2 350.422 2.535 20 30 FFEDLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000451651133 513889983 /nfs/dbraw/zinc/88/99/83/513889983.db2.gz DRGZEHNYOKHLJN-INIZCTEOSA-N 1 2 359.413 2.956 20 30 FFEDLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000451651133 513889991 /nfs/dbraw/zinc/88/99/91/513889991.db2.gz DRGZEHNYOKHLJN-INIZCTEOSA-N 1 2 359.413 2.956 20 30 FFEDLO C=CCOc1ccc(CC(=O)N2CC[NH2+][C@H](c3ccccc3OC)C2)cc1 ZINC000451658198 513892791 /nfs/dbraw/zinc/89/27/91/513892791.db2.gz CHYAVTYXCPUGDJ-FQEVSTJZSA-N 1 2 366.461 2.976 20 30 FFEDLO CCCn1c(SC[C@H](O)C[N@H+](C)CCC#N)nnc1-c1cccc(C)c1 ZINC000414091355 513971920 /nfs/dbraw/zinc/97/19/20/513971920.db2.gz DIXYJFGERQREEH-QGZVFWFLSA-N 1 2 373.526 2.962 20 30 FFEDLO CCCn1c(SC[C@H](O)C[N@@H+](C)CCC#N)nnc1-c1cccc(C)c1 ZINC000414091355 513971927 /nfs/dbraw/zinc/97/19/27/513971927.db2.gz DIXYJFGERQREEH-QGZVFWFLSA-N 1 2 373.526 2.962 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1ncnc2sc3c(c21)CCCC3 ZINC000414093253 513973398 /nfs/dbraw/zinc/97/33/98/513973398.db2.gz HABYZKBOWNPUFG-GFCCVEGCSA-N 1 2 362.524 2.869 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1ncnc2sc3c(c21)CCCC3 ZINC000414093253 513973401 /nfs/dbraw/zinc/97/34/01/513973401.db2.gz HABYZKBOWNPUFG-GFCCVEGCSA-N 1 2 362.524 2.869 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000414095128 513973852 /nfs/dbraw/zinc/97/38/52/513973852.db2.gz JOMSDNHHEOFNEY-ZDUSSCGKSA-N 1 2 352.847 2.688 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000414095128 513973858 /nfs/dbraw/zinc/97/38/58/513973858.db2.gz JOMSDNHHEOFNEY-ZDUSSCGKSA-N 1 2 352.847 2.688 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nnc(-c2ccccc2Cl)o1 ZINC000414112701 513978449 /nfs/dbraw/zinc/97/84/49/513978449.db2.gz AHVHQPQCZHPSCD-NSHDSACASA-N 1 2 352.847 2.688 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nnc(-c2ccccc2Cl)o1 ZINC000414112701 513978457 /nfs/dbraw/zinc/97/84/57/513978457.db2.gz AHVHQPQCZHPSCD-NSHDSACASA-N 1 2 352.847 2.688 20 30 FFEDLO Cc1ccsc1C(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000414118946 513980344 /nfs/dbraw/zinc/98/03/44/513980344.db2.gz CEBLOHVLRSDMHL-INIZCTEOSA-N 1 2 373.478 2.894 20 30 FFEDLO Cc1ccsc1C(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000414118946 513980349 /nfs/dbraw/zinc/98/03/49/513980349.db2.gz CEBLOHVLRSDMHL-INIZCTEOSA-N 1 2 373.478 2.894 20 30 FFEDLO COc1ccc(Br)cc1SC[C@H](O)C[N@H+](C)CCC#N ZINC000414122802 513981692 /nfs/dbraw/zinc/98/16/92/513981692.db2.gz AZRFZBXLZCFSRZ-GFCCVEGCSA-N 1 2 359.289 2.756 20 30 FFEDLO COc1ccc(Br)cc1SC[C@H](O)C[N@@H+](C)CCC#N ZINC000414122802 513981698 /nfs/dbraw/zinc/98/16/98/513981698.db2.gz AZRFZBXLZCFSRZ-GFCCVEGCSA-N 1 2 359.289 2.756 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000426634518 514000557 /nfs/dbraw/zinc/00/05/57/514000557.db2.gz MZZOGMZILDZYKD-QGZVFWFLSA-N 1 2 362.424 2.963 20 30 FFEDLO N#CCCC[C@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000431910144 514037345 /nfs/dbraw/zinc/03/73/45/514037345.db2.gz BPUYZCZGARPLIY-SFHVURJKSA-N 1 2 356.470 2.586 20 30 FFEDLO COCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccc(F)c(Cl)c1 ZINC000451983926 514110558 /nfs/dbraw/zinc/11/05/58/514110558.db2.gz VERUXRWZZGOEBZ-GOSISDBHSA-N 1 2 369.868 2.982 20 30 FFEDLO COCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccc(F)c(Cl)c1 ZINC000451983926 514110567 /nfs/dbraw/zinc/11/05/67/514110567.db2.gz VERUXRWZZGOEBZ-GOSISDBHSA-N 1 2 369.868 2.982 20 30 FFEDLO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1ccccc1C#N ZINC000432303716 514153491 /nfs/dbraw/zinc/15/34/91/514153491.db2.gz XYGHNCHRLUVFHB-KRWDZBQOSA-N 1 2 352.419 2.691 20 30 FFEDLO CSc1cc(C)ccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000417213966 514235845 /nfs/dbraw/zinc/23/58/45/514235845.db2.gz IKUDJIBSZLFQJT-UHFFFAOYSA-N 1 2 362.499 2.797 20 30 FFEDLO N#CCCCOc1cccc(C[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC000449550906 514250696 /nfs/dbraw/zinc/25/06/96/514250696.db2.gz CZBGBBHWWMLXNM-IBGZPJMESA-N 1 2 362.495 2.770 20 30 FFEDLO N#CCCCOc1cccc(C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC000449550906 514250701 /nfs/dbraw/zinc/25/07/01/514250701.db2.gz CZBGBBHWWMLXNM-IBGZPJMESA-N 1 2 362.495 2.770 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)cc1C#N ZINC000452344497 514295503 /nfs/dbraw/zinc/29/55/03/514295503.db2.gz OCXSIFWHRZCPKJ-AWEZNQCLSA-N 1 2 362.499 2.621 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c(Cl)c1 ZINC000444786047 514331470 /nfs/dbraw/zinc/33/14/70/514331470.db2.gz SKSDOQHFRBABLR-QGZVFWFLSA-N 1 2 371.868 2.774 20 30 FFEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](CCOc3ccccc3)CC2)s1 ZINC000420880751 514349994 /nfs/dbraw/zinc/34/99/94/514349994.db2.gz DOSJJHZXOVGPOH-UHFFFAOYSA-N 1 2 370.478 2.526 20 30 FFEDLO C[NH+](C)[C@H](CNC(=O)c1ncc(C#N)cc1Cl)c1c(F)cccc1F ZINC000428016284 514373895 /nfs/dbraw/zinc/37/38/95/514373895.db2.gz WGVXRLQLHDWJDW-CQSZACIVSA-N 1 2 364.783 2.918 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCSC[C@H]1CCO ZINC000438655236 514419726 /nfs/dbraw/zinc/41/97/26/514419726.db2.gz YCWPEJYMZGJKQT-CQSZACIVSA-N 1 2 352.525 2.703 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCSC[C@H]1CCO ZINC000438655236 514419733 /nfs/dbraw/zinc/41/97/33/514419733.db2.gz YCWPEJYMZGJKQT-CQSZACIVSA-N 1 2 352.525 2.703 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@](C)(c1noc(C)n1)C1CC1 ZINC000433298161 514449500 /nfs/dbraw/zinc/44/95/00/514449500.db2.gz NOSKQMJRKFRKJH-PXNSSMCTSA-N 1 2 357.454 2.761 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000439450311 514554740 /nfs/dbraw/zinc/55/47/40/514554740.db2.gz HRINYJKCSPBZEF-ZDUSSCGKSA-N 1 2 352.829 2.584 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439450311 514554747 /nfs/dbraw/zinc/55/47/47/514554747.db2.gz HRINYJKCSPBZEF-ZDUSSCGKSA-N 1 2 352.829 2.584 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c[nH]1 ZINC000475354224 514632725 /nfs/dbraw/zinc/63/27/25/514632725.db2.gz SAHOYCVNSLRPET-GOSISDBHSA-N 1 2 372.856 2.837 20 30 FFEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000475386508 514641873 /nfs/dbraw/zinc/64/18/73/514641873.db2.gz DKQRNPWGJRBAKC-OAHLLOKOSA-N 1 2 354.454 2.878 20 30 FFEDLO C=CCCCS(=O)(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000489108960 514712806 /nfs/dbraw/zinc/71/28/06/514712806.db2.gz HGWRHACXFCSZHE-CALCHBBNSA-N 1 2 366.527 2.681 20 30 FFEDLO C=CCCCS(=O)(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000489108960 514712815 /nfs/dbraw/zinc/71/28/15/514712815.db2.gz HGWRHACXFCSZHE-CALCHBBNSA-N 1 2 366.527 2.681 20 30 FFEDLO CC(C)N1CCC[C@@H]([NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1=O ZINC000471013345 514717352 /nfs/dbraw/zinc/71/73/52/514717352.db2.gz WIRHQTFCLCMTGZ-RTBURBONSA-N 1 2 374.916 2.922 20 30 FFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000475803449 514817429 /nfs/dbraw/zinc/81/74/29/514817429.db2.gz DAMQZURNJVDIJO-UHFFFAOYSA-N 1 2 372.837 2.876 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](CC)CC(=O)NCc1ccc(F)cc1 ZINC000485119622 514922518 /nfs/dbraw/zinc/92/25/18/514922518.db2.gz IFKFSUDKXWPOSF-INIZCTEOSA-N 1 2 363.477 2.577 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](CC)CC(=O)NCc1ccc(F)cc1 ZINC000485119622 514922526 /nfs/dbraw/zinc/92/25/26/514922526.db2.gz IFKFSUDKXWPOSF-INIZCTEOSA-N 1 2 363.477 2.577 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000458585225 514926614 /nfs/dbraw/zinc/92/66/14/514926614.db2.gz VEBCVEBIZACLRK-IEBWSBKVSA-N 1 2 356.470 2.868 20 30 FFEDLO CN(CC(C)(C)C#N)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000458605136 514948366 /nfs/dbraw/zinc/94/83/66/514948366.db2.gz DQAGOJTVXDIURX-JKSUJKDBSA-N 1 2 350.413 2.901 20 30 FFEDLO CN(CC(C)(C)C#N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000458605136 514948376 /nfs/dbraw/zinc/94/83/76/514948376.db2.gz DQAGOJTVXDIURX-JKSUJKDBSA-N 1 2 350.413 2.901 20 30 FFEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000480597173 515014712 /nfs/dbraw/zinc/01/47/12/515014712.db2.gz HVWXXYHFVYXOAS-MRXNPFEDSA-N 1 2 365.433 2.801 20 30 FFEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000480597173 515014720 /nfs/dbraw/zinc/01/47/20/515014720.db2.gz HVWXXYHFVYXOAS-MRXNPFEDSA-N 1 2 365.433 2.801 20 30 FFEDLO N#C[C@@H]1C[N@@H+](Cc2cccc(O)c2Cl)C[C@]12C(=O)Nc1ccccc12 ZINC000509093717 515020398 /nfs/dbraw/zinc/02/03/98/515020398.db2.gz JGAWXXPVVBCPDY-YJYMSZOUSA-N 1 2 353.809 2.891 20 30 FFEDLO N#C[C@@H]1C[N@H+](Cc2cccc(O)c2Cl)C[C@]12C(=O)Nc1ccccc12 ZINC000509093717 515020409 /nfs/dbraw/zinc/02/04/09/515020409.db2.gz JGAWXXPVVBCPDY-YJYMSZOUSA-N 1 2 353.809 2.891 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2OC)C1=O ZINC000467516316 515032957 /nfs/dbraw/zinc/03/29/57/515032957.db2.gz IRFQNFCGLJUNDB-AWEZNQCLSA-N 1 2 353.260 2.676 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2OC)C1=O ZINC000467516316 515032970 /nfs/dbraw/zinc/03/29/70/515032970.db2.gz IRFQNFCGLJUNDB-AWEZNQCLSA-N 1 2 353.260 2.676 20 30 FFEDLO C=CC1CCN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccc(C)cc2)CC1 ZINC000476508633 515077288 /nfs/dbraw/zinc/07/72/88/515077288.db2.gz JGEDBMRSOSFHIL-FQEVSTJZSA-N 1 2 357.498 2.976 20 30 FFEDLO COc1ccc(C(=O)CC[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000509258813 515097096 /nfs/dbraw/zinc/09/70/96/515097096.db2.gz AWFOAZXEBCOEPB-UHFFFAOYSA-N 1 2 363.461 2.957 20 30 FFEDLO COc1ccc(C(=O)CCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000509258813 515097103 /nfs/dbraw/zinc/09/71/03/515097103.db2.gz AWFOAZXEBCOEPB-UHFFFAOYSA-N 1 2 363.461 2.957 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000453986850 515097958 /nfs/dbraw/zinc/09/79/58/515097958.db2.gz WYWHCWAVUIUDBQ-CZUORRHYSA-N 1 2 354.410 2.599 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000485869448 515227908 /nfs/dbraw/zinc/22/79/08/515227908.db2.gz LZHAFHVLEANMLN-LBPRGKRZSA-N 1 2 351.397 2.545 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000491074551 515370853 /nfs/dbraw/zinc/37/08/53/515370853.db2.gz FNNSDRGJZPCDEF-UHFFFAOYSA-N 1 2 354.385 2.923 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](CCOC)Cc2ccc(Br)s2)C1=O ZINC000499731097 515431043 /nfs/dbraw/zinc/43/10/43/515431043.db2.gz DICHBPKGKNJOJT-CYBMUJFWSA-N 1 2 373.316 2.746 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](CCOC)Cc2ccc(Br)s2)C1=O ZINC000499731097 515431038 /nfs/dbraw/zinc/43/10/38/515431038.db2.gz DICHBPKGKNJOJT-CYBMUJFWSA-N 1 2 373.316 2.746 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H](OC)C[C@@H]2CC(=O)OCC)c1C ZINC000481719433 515439088 /nfs/dbraw/zinc/43/90/88/515439088.db2.gz CEXQMXUOLSIGDR-SJORKVTESA-N 1 2 362.470 2.516 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H](OC)C[C@@H]2CC(=O)OCC)c1C ZINC000481719433 515439092 /nfs/dbraw/zinc/43/90/92/515439092.db2.gz CEXQMXUOLSIGDR-SJORKVTESA-N 1 2 362.470 2.516 20 30 FFEDLO C=CCOC[C@@H](NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1)C(=O)OC ZINC000481744220 515450154 /nfs/dbraw/zinc/45/01/54/515450154.db2.gz AZHPREZJFONDDX-QGZVFWFLSA-N 1 2 370.405 2.656 20 30 FFEDLO Cc1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1C1CC1 ZINC000481905693 515507763 /nfs/dbraw/zinc/50/77/63/515507763.db2.gz QGRJPUKVQVLFIW-UHFFFAOYSA-N 1 2 356.470 2.952 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000459414264 515538031 /nfs/dbraw/zinc/53/80/31/515538031.db2.gz VSQJIJPHSFIZMH-UHFFFAOYSA-N 1 2 366.425 2.774 20 30 FFEDLO C=CCCS(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000486597320 515555369 /nfs/dbraw/zinc/55/53/69/515555369.db2.gz AWRXVUKXNLSPGV-IRXDYDNUSA-N 1 2 358.454 2.984 20 30 FFEDLO C=CCCS(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000486597320 515555376 /nfs/dbraw/zinc/55/53/76/515555376.db2.gz AWRXVUKXNLSPGV-IRXDYDNUSA-N 1 2 358.454 2.984 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N[C@H](CCC)c2ccccc2)C1=O ZINC000500004511 515555753 /nfs/dbraw/zinc/55/57/53/515555753.db2.gz BVHGKSDSJRNTJH-UHOSZYNNSA-N 1 2 357.498 2.751 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N[C@H](CCC)c2ccccc2)C1=O ZINC000500004511 515555760 /nfs/dbraw/zinc/55/57/60/515555760.db2.gz BVHGKSDSJRNTJH-UHOSZYNNSA-N 1 2 357.498 2.751 20 30 FFEDLO CC(C)(CCC#N)C[NH+]1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000505613949 515611211 /nfs/dbraw/zinc/61/12/11/515611211.db2.gz VFHMEELSHHHCSU-UHFFFAOYSA-N 1 2 371.453 2.601 20 30 FFEDLO Cn1c[nH+]c(CCNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1 ZINC000459545783 515637858 /nfs/dbraw/zinc/63/78/58/515637858.db2.gz HDZCPCSHKGDXAP-UHFFFAOYSA-N 1 2 353.304 2.555 20 30 FFEDLO C=CCCCCC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000486816947 515648516 /nfs/dbraw/zinc/64/85/16/515648516.db2.gz FHMDZUJRDKHYKN-UHFFFAOYSA-N 1 2 367.471 2.648 20 30 FFEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@H]3CC[N@@H+]3Cc3ccccc3)n2)c1 ZINC000493926139 515689665 /nfs/dbraw/zinc/68/96/65/515689665.db2.gz AQFHWOGTNOFSGE-HXUWFJFHSA-N 1 2 371.444 2.839 20 30 FFEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@H]3CC[N@H+]3Cc3ccccc3)n2)c1 ZINC000493926139 515689675 /nfs/dbraw/zinc/68/96/75/515689675.db2.gz AQFHWOGTNOFSGE-HXUWFJFHSA-N 1 2 371.444 2.839 20 30 FFEDLO Cn1cc[nH+]c1CSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N ZINC000505853258 515697206 /nfs/dbraw/zinc/69/72/06/515697206.db2.gz JMHZIIVDYKYQQF-UHFFFAOYSA-N 1 2 364.434 2.814 20 30 FFEDLO N#CC1(F)CC[NH+](CC(=O)NCc2ccccc2OC2CCCC2)CC1 ZINC000510886517 515702133 /nfs/dbraw/zinc/70/21/33/515702133.db2.gz GQJMFDHKDBPMCL-UHFFFAOYSA-N 1 2 359.445 2.952 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000454755524 515719568 /nfs/dbraw/zinc/71/95/68/515719568.db2.gz OXHYGQXWKPFQFO-OAGGEKHMSA-N 1 2 374.510 2.923 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000454755524 515719573 /nfs/dbraw/zinc/71/95/73/515719573.db2.gz OXHYGQXWKPFQFO-OAGGEKHMSA-N 1 2 374.510 2.923 20 30 FFEDLO N#CC1(F)CC[NH+](CCN2c3cccc4cccc(c34)S2(=O)=O)CC1 ZINC000510936484 515720148 /nfs/dbraw/zinc/72/01/48/515720148.db2.gz VHVCOQBPRMGVDI-UHFFFAOYSA-N 1 2 359.426 2.676 20 30 FFEDLO N#CC1(F)CC[NH+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000510945235 515721282 /nfs/dbraw/zinc/72/12/82/515721282.db2.gz IGZMVWMNVBINFB-INIZCTEOSA-N 1 2 351.372 2.783 20 30 FFEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+][C@@H](C)C(=O)NC3(C#N)CCC3)n2)cc1 ZINC000469337969 515775155 /nfs/dbraw/zinc/77/51/55/515775155.db2.gz ZZMYOGZRBBEQNC-UONOGXRCSA-N 1 2 367.453 2.901 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000500598054 515785478 /nfs/dbraw/zinc/78/54/78/515785478.db2.gz DAZFDUDHYHOUIV-MRXNPFEDSA-N 1 2 370.453 2.534 20 30 FFEDLO COc1cc(Cl)ccc1C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000482860996 515827972 /nfs/dbraw/zinc/82/79/72/515827972.db2.gz VKUFOBJQCATOLJ-UHFFFAOYSA-N 1 2 359.861 2.584 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000454991353 515881216 /nfs/dbraw/zinc/88/12/16/515881216.db2.gz ZYLVIFJULAAPID-KRWDZBQOSA-N 1 2 364.449 2.898 20 30 FFEDLO N#Cc1cccc(-c2c[nH+]c(CNC(=O)Cc3cn4ccsc4n3)[nH]2)c1 ZINC000494600909 515893260 /nfs/dbraw/zinc/89/32/60/515893260.db2.gz WWZJAIGXWSBTDC-UHFFFAOYSA-N 1 2 362.418 2.516 20 30 FFEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000459961626 515930615 /nfs/dbraw/zinc/93/06/15/515930615.db2.gz WZVDSOOIARWXHA-HNNXBMFYSA-N 1 2 363.889 2.580 20 30 FFEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N(C)CC(C)(C)C#N)cc1 ZINC000457532171 515948576 /nfs/dbraw/zinc/94/85/76/515948576.db2.gz RTGWXWKKSZYJTK-SFHVURJKSA-N 1 2 358.486 2.560 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000507279692 516154178 /nfs/dbraw/zinc/15/41/78/516154178.db2.gz OZBFLGHOFDETQR-UHFFFAOYSA-N 1 2 354.841 2.972 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCc1cccc(OC)c1 ZINC000512187095 516188331 /nfs/dbraw/zinc/18/83/31/516188331.db2.gz PDEMGDJWALSYBE-INIZCTEOSA-N 1 2 372.465 2.864 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCc1cccc(OC)c1 ZINC000512187095 516188341 /nfs/dbraw/zinc/18/83/41/516188341.db2.gz PDEMGDJWALSYBE-INIZCTEOSA-N 1 2 372.465 2.864 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccc(C(=O)OC)cc1)Cc1ccc(CO)o1 ZINC000512225256 516202221 /nfs/dbraw/zinc/20/22/21/516202221.db2.gz DXBKDPROBOODEN-UHFFFAOYSA-N 1 2 372.421 2.575 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)Nc1ccc(C(=O)OC)cc1)Cc1ccc(CO)o1 ZINC000512225256 516202228 /nfs/dbraw/zinc/20/22/28/516202228.db2.gz DXBKDPROBOODEN-UHFFFAOYSA-N 1 2 372.421 2.575 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)N(CC(F)(F)F)C(C)C)Cc1ccc(CO)o1 ZINC000512231010 516203604 /nfs/dbraw/zinc/20/36/04/516203604.db2.gz XGLHGVPPOJKCRF-UHFFFAOYSA-N 1 2 362.392 2.949 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)N(CC(F)(F)F)C(C)C)Cc1ccc(CO)o1 ZINC000512231010 516203611 /nfs/dbraw/zinc/20/36/11/516203611.db2.gz XGLHGVPPOJKCRF-UHFFFAOYSA-N 1 2 362.392 2.949 20 30 FFEDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2cc(C#N)ccc2OC(C)C)CCO1 ZINC000488367719 516207075 /nfs/dbraw/zinc/20/70/75/516207075.db2.gz MZFRBQXMSYXIOQ-MRXNPFEDSA-N 1 2 360.458 2.578 20 30 FFEDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2cc(C#N)ccc2OC(C)C)CCO1 ZINC000488367719 516207080 /nfs/dbraw/zinc/20/70/80/516207080.db2.gz MZFRBQXMSYXIOQ-MRXNPFEDSA-N 1 2 360.458 2.578 20 30 FFEDLO Cc1ccc(CC(=O)N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)cc1 ZINC000507638735 516270069 /nfs/dbraw/zinc/27/00/69/516270069.db2.gz XCPZIHLCFPUCKW-UHFFFAOYSA-N 1 2 363.461 2.632 20 30 FFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000512506416 516297356 /nfs/dbraw/zinc/29/73/56/516297356.db2.gz LKIPTHYRZPHGMB-MRXNPFEDSA-N 1 2 363.506 2.712 20 30 FFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000512506416 516297358 /nfs/dbraw/zinc/29/73/58/516297358.db2.gz LKIPTHYRZPHGMB-MRXNPFEDSA-N 1 2 363.506 2.712 20 30 FFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000561007488 516332257 /nfs/dbraw/zinc/33/22/57/516332257.db2.gz HTIPLWQOUUNJDQ-ZWKOTPCHSA-N 1 2 373.416 2.571 20 30 FFEDLO N#Cc1ccccc1CSCC[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000550630237 516360504 /nfs/dbraw/zinc/36/05/04/516360504.db2.gz YCYDEICJMVIQLN-KRWDZBQOSA-N 1 2 350.451 2.684 20 30 FFEDLO CC[N@H+](CC(=O)N1CCCCCC1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000513182510 516507856 /nfs/dbraw/zinc/50/78/56/516507856.db2.gz GICAHTATCIVSAN-MRXNPFEDSA-N 1 2 356.470 2.610 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCCCCC1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000513182510 516507867 /nfs/dbraw/zinc/50/78/67/516507867.db2.gz GICAHTATCIVSAN-MRXNPFEDSA-N 1 2 356.470 2.610 20 30 FFEDLO CN(CC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(Cl)c(C#N)n1 ZINC000561338086 516530656 /nfs/dbraw/zinc/53/06/56/516530656.db2.gz JNWUZFSYCBKPTE-UHFFFAOYSA-N 1 2 369.900 2.861 20 30 FFEDLO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000558166158 516625853 /nfs/dbraw/zinc/62/58/53/516625853.db2.gz XMJFPUXMZDIUOL-RDTXWAMCSA-N 1 2 373.453 2.949 20 30 FFEDLO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000558166158 516625859 /nfs/dbraw/zinc/62/58/59/516625859.db2.gz XMJFPUXMZDIUOL-RDTXWAMCSA-N 1 2 373.453 2.949 20 30 FFEDLO CCOC(=O)[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000551369910 516678195 /nfs/dbraw/zinc/67/81/95/516678195.db2.gz CXRZMPMEYQGRCQ-NRFANRHFSA-N 1 2 363.461 2.980 20 30 FFEDLO C=CCCCCC[N@@H+](C)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000558461529 516753535 /nfs/dbraw/zinc/75/35/35/516753535.db2.gz KPYLLUUEYSQYBP-GOSISDBHSA-N 1 2 370.559 2.623 20 30 FFEDLO C=CCCCCC[N@H+](C)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000558461529 516753540 /nfs/dbraw/zinc/75/35/40/516753540.db2.gz KPYLLUUEYSQYBP-GOSISDBHSA-N 1 2 370.559 2.623 20 30 FFEDLO COC(=O)[C@]1(C)C[N@H+](Cc2ccc(Br)cc2C#N)C[C@H]1C ZINC000561884489 516813498 /nfs/dbraw/zinc/81/34/98/516813498.db2.gz QCBNPJKIMACKQS-BDJLRTHQSA-N 1 2 351.244 2.952 20 30 FFEDLO COC(=O)[C@]1(C)C[N@@H+](Cc2ccc(Br)cc2C#N)C[C@H]1C ZINC000561884489 516813509 /nfs/dbraw/zinc/81/35/09/516813509.db2.gz QCBNPJKIMACKQS-BDJLRTHQSA-N 1 2 351.244 2.952 20 30 FFEDLO CCc1cccc(OCC[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000513978590 516821002 /nfs/dbraw/zinc/82/10/02/516821002.db2.gz PAHUDIKEDNSRLB-VGOFRKELSA-N 1 2 361.445 2.973 20 30 FFEDLO CCc1cccc(OCC[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000513978590 516821010 /nfs/dbraw/zinc/82/10/10/516821010.db2.gz PAHUDIKEDNSRLB-VGOFRKELSA-N 1 2 361.445 2.973 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000514108996 516865615 /nfs/dbraw/zinc/86/56/15/516865615.db2.gz IJPXSZHDBONZLV-MJGOQNOKSA-N 1 2 373.497 2.684 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000514108996 516865624 /nfs/dbraw/zinc/86/56/24/516865624.db2.gz IJPXSZHDBONZLV-MJGOQNOKSA-N 1 2 373.497 2.684 20 30 FFEDLO CCOc1cccc(Cl)c1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000519175629 516913594 /nfs/dbraw/zinc/91/35/94/516913594.db2.gz VLAJFYLVMFVFLC-UHFFFAOYSA-N 1 2 351.878 2.787 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000519341368 516964781 /nfs/dbraw/zinc/96/47/81/516964781.db2.gz VAHJXGAFXPWHOT-HNAYVOBHSA-N 1 2 359.445 2.962 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000519341368 516964791 /nfs/dbraw/zinc/96/47/91/516964791.db2.gz VAHJXGAFXPWHOT-HNAYVOBHSA-N 1 2 359.445 2.962 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)cc3)C2)nc1 ZINC000562362755 517054171 /nfs/dbraw/zinc/05/41/71/517054171.db2.gz LXTYMIFQBMCOOP-MRXNPFEDSA-N 1 2 356.813 2.698 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)cc3)C2)nc1 ZINC000562362755 517054178 /nfs/dbraw/zinc/05/41/78/517054178.db2.gz LXTYMIFQBMCOOP-MRXNPFEDSA-N 1 2 356.813 2.698 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000562379509 517066574 /nfs/dbraw/zinc/06/65/74/517066574.db2.gz MCMBAKUCVOVSEE-CQSZACIVSA-N 1 2 369.856 2.756 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000532643493 517076517 /nfs/dbraw/zinc/07/65/17/517076517.db2.gz KLRKVRWUNKIWMD-LJQANCHMSA-N 1 2 357.417 2.750 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000532643493 517076525 /nfs/dbraw/zinc/07/65/25/517076525.db2.gz KLRKVRWUNKIWMD-LJQANCHMSA-N 1 2 357.417 2.750 20 30 FFEDLO CC(C)c1[nH+]c2ccccc2n1Cc1noc([C@@H](C)n2cnc(C#N)n2)n1 ZINC000519738549 517153913 /nfs/dbraw/zinc/15/39/13/517153913.db2.gz ZPJQFAVEVPPVSL-GFCCVEGCSA-N 1 2 362.397 2.663 20 30 FFEDLO Cc1c(C[N@@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cnn1C ZINC000562611581 517236485 /nfs/dbraw/zinc/23/64/85/517236485.db2.gz BZLGPZCCZYFCGV-LBPRGKRZSA-N 1 2 357.483 2.609 20 30 FFEDLO Cc1c(C[N@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cnn1C ZINC000562611581 517236493 /nfs/dbraw/zinc/23/64/93/517236493.db2.gz BZLGPZCCZYFCGV-LBPRGKRZSA-N 1 2 357.483 2.609 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000519907915 517238706 /nfs/dbraw/zinc/23/87/06/517238706.db2.gz QDONSPBZZQLHAH-UHFFFAOYSA-N 1 2 368.868 2.650 20 30 FFEDLO CCOC(=O)c1cnc(N2CC[NH+](Cc3ccc(C#N)s3)CC2)s1 ZINC000537619396 517263956 /nfs/dbraw/zinc/26/39/56/517263956.db2.gz DJVMCLFFNYIIEP-UHFFFAOYSA-N 1 2 362.480 2.575 20 30 FFEDLO CC#CC[N@@H+](C)CC(=O)NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000559458458 517266035 /nfs/dbraw/zinc/26/60/35/517266035.db2.gz IDBZKQSTWGHUMC-UHFFFAOYSA-N 1 2 366.461 2.846 20 30 FFEDLO CC#CC[N@H+](C)CC(=O)NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000559458458 517266044 /nfs/dbraw/zinc/26/60/44/517266044.db2.gz IDBZKQSTWGHUMC-UHFFFAOYSA-N 1 2 366.461 2.846 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000562694454 517309392 /nfs/dbraw/zinc/30/93/92/517309392.db2.gz WDLMXFSFGYWRAH-KGLIPLIRSA-N 1 2 364.243 2.613 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000515463950 517361776 /nfs/dbraw/zinc/36/17/76/517361776.db2.gz NHRVQYWYTYFVRL-PMPSAXMXSA-N 1 2 360.845 2.806 20 30 FFEDLO C=CCc1ccc(OCC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c(OC)c1 ZINC000552928027 517446604 /nfs/dbraw/zinc/44/66/04/517446604.db2.gz OJJFBUGRXOBOIB-LJQANCHMSA-N 1 2 355.438 2.804 20 30 FFEDLO Cc1cc(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)c(C)c[nH+]1 ZINC000527084836 517496469 /nfs/dbraw/zinc/49/64/69/517496469.db2.gz KIWAEBZSLSOSFY-UHFFFAOYSA-N 1 2 365.437 2.899 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(OC(F)(F)F)cc1 ZINC000533548562 517519379 /nfs/dbraw/zinc/51/93/79/517519379.db2.gz WMHITMOCCQNJKF-WFASDCNBSA-N 1 2 364.327 2.725 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c1C#N ZINC000515951613 517519420 /nfs/dbraw/zinc/51/94/20/517519420.db2.gz YQBDBJKKGUJOJE-HNNXBMFYSA-N 1 2 369.396 2.922 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c1C#N ZINC000515951613 517519428 /nfs/dbraw/zinc/51/94/28/517519428.db2.gz YQBDBJKKGUJOJE-HNNXBMFYSA-N 1 2 369.396 2.922 20 30 FFEDLO N#CCCC1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000563034980 517603780 /nfs/dbraw/zinc/60/37/80/517603780.db2.gz KUWQLMLIYHECEI-FQEVSTJZSA-N 1 2 370.497 2.785 20 30 FFEDLO Cc1ccnc([C@H]2CC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)c1 ZINC000516310999 517655690 /nfs/dbraw/zinc/65/56/90/517655690.db2.gz QCRLPSOKGXIBPV-KRWDZBQOSA-N 1 2 355.463 2.525 20 30 FFEDLO Cc1ccnc([C@H]2CC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)c1 ZINC000516310999 517655701 /nfs/dbraw/zinc/65/57/01/517655701.db2.gz QCRLPSOKGXIBPV-KRWDZBQOSA-N 1 2 355.463 2.525 20 30 FFEDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000563219154 517747931 /nfs/dbraw/zinc/74/79/31/517747931.db2.gz ZJVHFZWJLOIDDL-GFCCVEGCSA-N 1 2 356.348 2.782 20 30 FFEDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000563219154 517747940 /nfs/dbraw/zinc/74/79/40/517747940.db2.gz ZJVHFZWJLOIDDL-GFCCVEGCSA-N 1 2 356.348 2.782 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000563220254 517748092 /nfs/dbraw/zinc/74/80/92/517748092.db2.gz JGENDOOHQSUDOU-INIZCTEOSA-N 1 2 366.343 2.934 20 30 FFEDLO N#Cc1c(F)cc(CNC(=O)c2ccccc2C[NH+]2CCOCC2)cc1F ZINC000560453144 517813788 /nfs/dbraw/zinc/81/37/88/517813788.db2.gz KYCBVSWAIVCWDJ-UHFFFAOYSA-N 1 2 371.387 2.599 20 30 FFEDLO CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000546718864 517816152 /nfs/dbraw/zinc/81/61/52/517816152.db2.gz KFNNQGSYZFTLET-UHFFFAOYSA-N 1 2 352.442 2.891 20 30 FFEDLO COC(=O)c1cccc(C[NH2+]C(C)(C)C(=O)NCC2CCCCC2)c1C#N ZINC000534315347 517847890 /nfs/dbraw/zinc/84/78/90/517847890.db2.gz OOXADDPXOUGPIK-UHFFFAOYSA-N 1 2 371.481 2.910 20 30 FFEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000563367499 517852341 /nfs/dbraw/zinc/85/23/41/517852341.db2.gz OZIGCOMMMMRDSM-JQWIXIFHSA-N 1 2 368.359 2.661 20 30 FFEDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)CC2 ZINC000538944982 517856947 /nfs/dbraw/zinc/85/69/47/517856947.db2.gz CWVBFUXVBLLJNO-UHFFFAOYSA-N 1 2 374.400 2.953 20 30 FFEDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)CC2 ZINC000538944982 517856959 /nfs/dbraw/zinc/85/69/59/517856959.db2.gz CWVBFUXVBLLJNO-UHFFFAOYSA-N 1 2 374.400 2.953 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543021757 517868037 /nfs/dbraw/zinc/86/80/37/517868037.db2.gz PLDWMWSIHNNWFM-QAPCUYQASA-N 1 2 374.366 2.936 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543021757 517868046 /nfs/dbraw/zinc/86/80/46/517868046.db2.gz PLDWMWSIHNNWFM-QAPCUYQASA-N 1 2 374.366 2.936 20 30 FFEDLO CCC(C#N)(CC)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000527773747 517907587 /nfs/dbraw/zinc/90/75/87/517907587.db2.gz RFAUGQCNWSDHGY-UHFFFAOYSA-N 1 2 356.470 2.536 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)Cc2cccc(C#N)c2)[NH+]2CCOCC2)c1 ZINC000530670313 517913617 /nfs/dbraw/zinc/91/36/17/517913617.db2.gz STLKRONPSUKTEX-NRFANRHFSA-N 1 2 363.461 2.599 20 30 FFEDLO N#Cc1cccc(C2(C(=O)N3CC[NH+](Cc4ccsc4)CC3)CC2)c1 ZINC000534530030 517931188 /nfs/dbraw/zinc/93/11/88/517931188.db2.gz GBJFOTGADYMULR-UHFFFAOYSA-N 1 2 351.475 2.996 20 30 FFEDLO CCCCN(C)c1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000522586021 518131138 /nfs/dbraw/zinc/13/11/38/518131138.db2.gz DMKLUCVNKBCOHB-UHFFFAOYSA-N 1 2 372.513 2.611 20 30 FFEDLO Cc1nnc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)o1 ZINC000543545593 518132213 /nfs/dbraw/zinc/13/22/13/518132213.db2.gz IGGBRCBXWJCWDZ-LBPRGKRZSA-N 1 2 361.833 2.937 20 30 FFEDLO Cc1nnc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 ZINC000543549049 518133761 /nfs/dbraw/zinc/13/37/61/518133761.db2.gz YKMMBVQSXPZWJR-SNVBAGLBSA-N 1 2 359.455 2.869 20 30 FFEDLO COc1cc2c(cc1F)C[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC2 ZINC000539737164 518152059 /nfs/dbraw/zinc/15/20/59/518152059.db2.gz IZJONJOGTGNLMW-UHFFFAOYSA-N 1 2 359.445 2.877 20 30 FFEDLO COc1cc2c(cc1F)C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC2 ZINC000539737164 518152063 /nfs/dbraw/zinc/15/20/63/518152063.db2.gz IZJONJOGTGNLMW-UHFFFAOYSA-N 1 2 359.445 2.877 20 30 FFEDLO C=C(C)[C@H](CC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1)OCC ZINC000535163003 518161378 /nfs/dbraw/zinc/16/13/78/518161378.db2.gz SIBOQDCFRACDEP-SJORKVTESA-N 1 2 365.543 2.524 20 30 FFEDLO CC[C@H](CC#N)[NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000578546588 518261297 /nfs/dbraw/zinc/26/12/97/518261297.db2.gz IZEVOMFBAJYVGK-BXUZGUMPSA-N 1 2 368.359 2.575 20 30 FFEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000564025645 518273354 /nfs/dbraw/zinc/27/33/54/518273354.db2.gz SPNNCTMYILXJKT-CQSZACIVSA-N 1 2 370.432 2.658 20 30 FFEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000564025645 518273357 /nfs/dbraw/zinc/27/33/57/518273357.db2.gz SPNNCTMYILXJKT-CQSZACIVSA-N 1 2 370.432 2.658 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCCc2c(cnn2C)C1 ZINC000584396961 518320047 /nfs/dbraw/zinc/32/00/47/518320047.db2.gz KPNXHNUHCJPGPZ-LBPRGKRZSA-N 1 2 369.494 2.617 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCCc2c(cnn2C)C1 ZINC000584396961 518320053 /nfs/dbraw/zinc/32/00/53/518320053.db2.gz KPNXHNUHCJPGPZ-LBPRGKRZSA-N 1 2 369.494 2.617 20 30 FFEDLO Cc1[nH+]ccn1-c1c(Cl)cccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000584443628 518342903 /nfs/dbraw/zinc/34/29/03/518342903.db2.gz YEUUMDPAKRHLFD-UHFFFAOYSA-N 1 2 373.825 2.902 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+](C)CCOCc2ccc(C#N)cc2)c(C#N)c1C ZINC000581749659 518437209 /nfs/dbraw/zinc/43/72/09/518437209.db2.gz BSZYPLGVTSNEIB-UHFFFAOYSA-N 1 2 366.421 2.727 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+](C)CCOCc2ccc(C#N)cc2)c(C#N)c1C ZINC000581749659 518437215 /nfs/dbraw/zinc/43/72/15/518437215.db2.gz BSZYPLGVTSNEIB-UHFFFAOYSA-N 1 2 366.421 2.727 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc4c(cn3)CCC4)CC2)cc1 ZINC000564419373 518442370 /nfs/dbraw/zinc/44/23/70/518442370.db2.gz UVOHTYWSALAMQZ-UHFFFAOYSA-N 1 2 361.449 2.792 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 ZINC000570401048 518588660 /nfs/dbraw/zinc/58/86/60/518588660.db2.gz FCQXEZSKTJFRRJ-FQEVSTJZSA-N 1 2 369.469 2.899 20 30 FFEDLO N#Cc1ccc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000576915064 518823850 /nfs/dbraw/zinc/82/38/50/518823850.db2.gz QOTRFPMSFGEPBO-LJQANCHMSA-N 1 2 352.394 2.952 20 30 FFEDLO C=C[C@@H]1CCCCN1C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000573897689 518889229 /nfs/dbraw/zinc/88/92/29/518889229.db2.gz RXQAWDCKGPVMMR-LJQANCHMSA-N 1 2 370.497 2.923 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)s1 ZINC000577122234 518925417 /nfs/dbraw/zinc/92/54/17/518925417.db2.gz OZQDIGGZSPHQOF-KRWDZBQOSA-N 1 2 374.897 2.617 20 30 FFEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cc(O)cc(C#N)c3)CC2)c1 ZINC000589178056 518942762 /nfs/dbraw/zinc/94/27/62/518942762.db2.gz SIAWSIANKWZUGB-HNNXBMFYSA-N 1 2 365.433 2.791 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)NCc2[nH+]ccn2CCc2ccccc2)c1 ZINC000574177777 519026507 /nfs/dbraw/zinc/02/65/07/519026507.db2.gz PAICFRWFJJLCOX-UHFFFAOYSA-N 1 2 373.460 2.993 20 30 FFEDLO C=CCn1c(Cc2ccccc2)nnc1SCC[N@H+]1CCOC[C@@H]1C ZINC000571349552 519051196 /nfs/dbraw/zinc/05/11/96/519051196.db2.gz QSNIABLVTAMOEC-INIZCTEOSA-N 1 2 358.511 2.868 20 30 FFEDLO C=CCn1c(Cc2ccccc2)nnc1SCC[N@@H+]1CCOC[C@@H]1C ZINC000571349552 519051203 /nfs/dbraw/zinc/05/12/03/519051203.db2.gz QSNIABLVTAMOEC-INIZCTEOSA-N 1 2 358.511 2.868 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000568475373 519055443 /nfs/dbraw/zinc/05/54/43/519055443.db2.gz WKXXAORNXIBWQZ-CABCVRRESA-N 1 2 359.495 2.598 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000568475373 519055452 /nfs/dbraw/zinc/05/54/52/519055452.db2.gz WKXXAORNXIBWQZ-CABCVRRESA-N 1 2 359.495 2.598 20 30 FFEDLO N#CCCCCCC(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000589835291 519086411 /nfs/dbraw/zinc/08/64/11/519086411.db2.gz SCZVTBGXLLMGMT-UHFFFAOYSA-N 1 2 369.469 2.850 20 30 FFEDLO C=CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000571450818 519102372 /nfs/dbraw/zinc/10/23/72/519102372.db2.gz XEYUUSQWVVUYJS-HOTGVXAUSA-N 1 2 365.441 2.586 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccn(-c4cccc(F)c4)n3)C2)nc1 ZINC000590005459 519125507 /nfs/dbraw/zinc/12/55/07/519125507.db2.gz DNMSGHBKNKJBCJ-LJQANCHMSA-N 1 2 363.396 2.931 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccn(-c4cccc(F)c4)n3)C2)nc1 ZINC000590005459 519125515 /nfs/dbraw/zinc/12/55/15/519125515.db2.gz DNMSGHBKNKJBCJ-LJQANCHMSA-N 1 2 363.396 2.931 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000565804894 519139409 /nfs/dbraw/zinc/13/94/09/519139409.db2.gz BNMFAXYUOYWMIO-SFHVURJKSA-N 1 2 366.446 2.668 20 30 FFEDLO COc1cc(C[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)ccc1C#N ZINC000568691609 519166332 /nfs/dbraw/zinc/16/63/32/519166332.db2.gz MSCRZTJJCQXYEO-IBGZPJMESA-N 1 2 353.397 2.815 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000590464497 519239843 /nfs/dbraw/zinc/23/98/43/519239843.db2.gz OMEGHLGVEAUMDB-MOPGFXCFSA-N 1 2 360.498 2.717 20 30 FFEDLO C=CCC[C@H](NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000572032542 519409583 /nfs/dbraw/zinc/40/95/83/519409583.db2.gz CDNIXOMIEVGDAA-MSOLQXFVSA-N 1 2 366.465 2.560 20 30 FFEDLO N#Cc1cc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)ccc1OCC(F)(F)F ZINC000566291697 519415755 /nfs/dbraw/zinc/41/57/55/519415755.db2.gz KJELTJSDESPMEI-NSHDSACASA-N 1 2 364.327 2.897 20 30 FFEDLO CC(C)c1nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn1-c1ccccc1Cl ZINC000566308847 519426366 /nfs/dbraw/zinc/42/63/66/519426366.db2.gz KPTROMXVKZNRHV-SFHVURJKSA-N 1 2 374.876 2.618 20 30 FFEDLO C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000575049879 519471828 /nfs/dbraw/zinc/47/18/28/519471828.db2.gz SCXYYBRCBGZPDE-XHDPSFHLSA-N 1 2 370.316 2.890 20 30 FFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(Br)c(C#N)cc1F ZINC000572179396 519483062 /nfs/dbraw/zinc/48/30/62/519483062.db2.gz UAXBKLUULJFOPK-DGCLKSJQSA-N 1 2 368.250 2.759 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000569327490 519494283 /nfs/dbraw/zinc/49/42/83/519494283.db2.gz JLBCRYKOUSWHDT-WOJBJXKFSA-N 1 2 361.445 2.938 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000569327490 519494290 /nfs/dbraw/zinc/49/42/90/519494290.db2.gz JLBCRYKOUSWHDT-WOJBJXKFSA-N 1 2 361.445 2.938 20 30 FFEDLO N#Cc1cnc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)c(F)c1 ZINC000591147609 519529701 /nfs/dbraw/zinc/52/97/01/519529701.db2.gz ZIAZYNLZSNGGRU-KRWDZBQOSA-N 1 2 360.820 2.601 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857751 519928262 /nfs/dbraw/zinc/92/82/62/519928262.db2.gz UPTIXSNMOQCCMV-MJBXVCDLSA-N 1 2 366.412 2.533 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857751 519928269 /nfs/dbraw/zinc/92/82/69/519928269.db2.gz UPTIXSNMOQCCMV-MJBXVCDLSA-N 1 2 366.412 2.533 20 30 FFEDLO COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602858986 519931654 /nfs/dbraw/zinc/93/16/54/519931654.db2.gz DFJBFAHQXJESSE-ZIAGYGMSSA-N 1 2 364.877 2.514 20 30 FFEDLO CCOc1ccccc1[C@H](CC)NC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602861846 519933340 /nfs/dbraw/zinc/93/33/40/519933340.db2.gz MDUOJMGIPKHYSE-LMMKCTJWSA-N 1 2 372.513 2.571 20 30 FFEDLO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602861808 519933528 /nfs/dbraw/zinc/93/35/28/519933528.db2.gz JJZSOTGEAULKJI-NEPJUHHUSA-N 1 2 373.375 2.949 20 30 FFEDLO CCN(C(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1)c1nc2ccccc2s1 ZINC000602865388 519935569 /nfs/dbraw/zinc/93/55/69/519935569.db2.gz SNEMBUMLVLRMPO-HUUCEWRRSA-N 1 2 371.510 2.567 20 30 FFEDLO CC(C)N(CC(F)(F)F)C(=O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908643 519966562 /nfs/dbraw/zinc/96/65/62/519966562.db2.gz FJKSHJFPWNYGLX-UHFFFAOYSA-N 1 2 368.403 2.932 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH+]1CCC(CCF)CC1 ZINC000602946463 519987297 /nfs/dbraw/zinc/98/72/97/519987297.db2.gz AEUNLVXTNWQPSO-UHFFFAOYSA-N 1 2 355.417 2.754 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NCC1(C#N)CCCCC1 ZINC000597399540 520002310 /nfs/dbraw/zinc/00/23/10/520002310.db2.gz PTGPMMFYAZCBIG-INIZCTEOSA-N 1 2 371.485 2.547 20 30 FFEDLO C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)[C@H]1CCC[C@@H]1C#N ZINC000602978763 520002820 /nfs/dbraw/zinc/00/28/20/520002820.db2.gz WDDSEZRFVMCNED-RISCZKNCSA-N 1 2 361.243 2.581 20 30 FFEDLO C[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)[C@H]1CCC[C@@H]1C#N ZINC000602978763 520002827 /nfs/dbraw/zinc/00/28/27/520002827.db2.gz WDDSEZRFVMCNED-RISCZKNCSA-N 1 2 361.243 2.581 20 30 FFEDLO C[C@@H]1CN(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)C[C@H](C)N1CC#N ZINC000603020350 520027380 /nfs/dbraw/zinc/02/73/80/520027380.db2.gz GCZSNOGTFPMJCL-GASCZTMLSA-N 1 2 366.469 2.751 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(NC(=O)C2CCCCC2)c1 ZINC000591774070 520033958 /nfs/dbraw/zinc/03/39/58/520033958.db2.gz KZOGEHNJSGDSEG-LJQANCHMSA-N 1 2 358.486 2.824 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(NC(=O)C2CCCCC2)c1 ZINC000591774070 520033964 /nfs/dbraw/zinc/03/39/64/520033964.db2.gz KZOGEHNJSGDSEG-LJQANCHMSA-N 1 2 358.486 2.824 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000594746970 520130414 /nfs/dbraw/zinc/13/04/14/520130414.db2.gz AQKFAWMLDKHOQF-LLVKDONJSA-N 1 2 360.464 2.645 20 30 FFEDLO N#Cc1cc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)ccc1OC(F)(F)F ZINC000597620304 520140399 /nfs/dbraw/zinc/14/03/99/520140399.db2.gz HIWQEKSFEGJCQZ-SECBINFHSA-N 1 2 350.300 2.924 20 30 FFEDLO N#Cc1cc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)ccc1OC(F)(F)F ZINC000597620304 520140409 /nfs/dbraw/zinc/14/04/09/520140409.db2.gz HIWQEKSFEGJCQZ-SECBINFHSA-N 1 2 350.300 2.924 20 30 FFEDLO Cc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+]3CC[C@@](O)(CC#N)C3)n2)cc1 ZINC000592149029 520226807 /nfs/dbraw/zinc/22/68/07/520226807.db2.gz HDWFQUJWJFJIIY-LIRRHRJNSA-N 1 2 370.478 2.796 20 30 FFEDLO Cc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+]3CC[C@@](O)(CC#N)C3)n2)cc1 ZINC000592149029 520226818 /nfs/dbraw/zinc/22/68/18/520226818.db2.gz HDWFQUJWJFJIIY-LIRRHRJNSA-N 1 2 370.478 2.796 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000592151439 520228057 /nfs/dbraw/zinc/22/80/57/520228057.db2.gz OYZRPROPPTYHSA-INIZCTEOSA-N 1 2 362.227 2.955 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000592151439 520228068 /nfs/dbraw/zinc/22/80/68/520228068.db2.gz OYZRPROPPTYHSA-INIZCTEOSA-N 1 2 362.227 2.955 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](Cc2cccc(Br)c2OC(F)F)C1 ZINC000592152041 520228644 /nfs/dbraw/zinc/22/86/44/520228644.db2.gz UBISHBQAQCOFNZ-AWEZNQCLSA-N 1 2 361.186 2.901 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cccc(Br)c2OC(F)F)C1 ZINC000592152041 520228651 /nfs/dbraw/zinc/22/86/51/520228651.db2.gz UBISHBQAQCOFNZ-AWEZNQCLSA-N 1 2 361.186 2.901 20 30 FFEDLO CC(C)(C)OC(=O)C1(C)CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000592158420 520234267 /nfs/dbraw/zinc/23/42/67/520234267.db2.gz DVYZMFBMTRMJLT-INIZCTEOSA-N 1 2 357.454 2.528 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000592205066 520262255 /nfs/dbraw/zinc/26/22/55/520262255.db2.gz IIVWJYKYHOKMDJ-OAHLLOKOSA-N 1 2 353.825 2.615 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000592205066 520262256 /nfs/dbraw/zinc/26/22/56/520262256.db2.gz IIVWJYKYHOKMDJ-OAHLLOKOSA-N 1 2 353.825 2.615 20 30 FFEDLO CC(C)CNC(=O)c1cccc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)c1 ZINC000609485081 520328547 /nfs/dbraw/zinc/32/85/47/520328547.db2.gz INKWIOUOCJBFOO-FQEVSTJZSA-N 1 2 356.514 2.738 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000609484596 520329060 /nfs/dbraw/zinc/32/90/60/520329060.db2.gz CBXANQSMBCCFCZ-XLIONFOSSA-N 1 2 354.498 2.520 20 30 FFEDLO CCc1ccc([C@@H](C)NC(=O)C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)cc1 ZINC000609487154 520329584 /nfs/dbraw/zinc/32/95/84/520329584.db2.gz XOUGCGHZTFVVAP-XLIONFOSSA-N 1 2 356.514 2.592 20 30 FFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCC2(C#N)CCCCC2)c1 ZINC000595182989 520336353 /nfs/dbraw/zinc/33/63/53/520336353.db2.gz HHGDJSREJRLAQH-UHFFFAOYSA-N 1 2 365.437 2.616 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000609538822 520350360 /nfs/dbraw/zinc/35/03/60/520350360.db2.gz YJFDDTJTDYJMPM-QKLQHJQFSA-N 1 2 354.498 2.518 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000609632086 520388164 /nfs/dbraw/zinc/38/81/64/520388164.db2.gz JITRTOOGQNYZTC-UHFFFAOYSA-N 1 2 370.478 2.731 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000609671686 520400957 /nfs/dbraw/zinc/40/09/57/520400957.db2.gz CSMTVKHNJCPISQ-OAQYLSRUSA-N 1 2 360.461 2.876 20 30 FFEDLO N#Cc1ccc([C@H]([NH2+]Cc2csc(Br)c2)C(N)=O)cc1 ZINC000609675851 520403493 /nfs/dbraw/zinc/40/34/93/520403493.db2.gz RSTIOODJUVPSDT-ZDUSSCGKSA-N 1 2 350.241 2.698 20 30 FFEDLO C[C@@H](C(=O)N(C)c1cccc(C#N)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000609792666 520433278 /nfs/dbraw/zinc/43/32/78/520433278.db2.gz OGHMAFVZVOWEMD-INIZCTEOSA-N 1 2 366.440 2.871 20 30 FFEDLO N#Cc1ccc(OCC[N@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)cc1 ZINC000610004473 520502984 /nfs/dbraw/zinc/50/29/84/520502984.db2.gz MLTDHKLDGZAQCW-UHFFFAOYSA-N 1 2 369.852 2.935 20 30 FFEDLO N#Cc1ccc(OCC[N@@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)cc1 ZINC000610004473 520502996 /nfs/dbraw/zinc/50/29/96/520502996.db2.gz MLTDHKLDGZAQCW-UHFFFAOYSA-N 1 2 369.852 2.935 20 30 FFEDLO N#CC[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000595613431 520594324 /nfs/dbraw/zinc/59/43/24/520594324.db2.gz CQBNBZQSFCUNQK-ZDUSSCGKSA-N 1 2 371.300 2.848 20 30 FFEDLO N#CC[C@@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000595613431 520594330 /nfs/dbraw/zinc/59/43/30/520594330.db2.gz CQBNBZQSFCUNQK-ZDUSSCGKSA-N 1 2 371.300 2.848 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632309 520609683 /nfs/dbraw/zinc/60/96/83/520609683.db2.gz DPMJAKFBFAQICQ-BZUAXINKSA-N 1 2 360.527 2.825 20 30 FFEDLO N#Cc1nc(NCc2cc[nH+]c(N3CCSCC3)c2)sc1Cl ZINC000601239699 520703787 /nfs/dbraw/zinc/70/37/87/520703787.db2.gz AUTRYJIVYBMEMP-UHFFFAOYSA-N 1 2 351.888 2.650 20 30 FFEDLO Cc1ccccc1COCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000598585804 520727648 /nfs/dbraw/zinc/72/76/48/520727648.db2.gz AYXKBXJMEPTFCH-UHFFFAOYSA-N 1 2 363.461 2.728 20 30 FFEDLO CC(C)C1(S(=O)(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000601296719 520728081 /nfs/dbraw/zinc/72/80/81/520728081.db2.gz YLPGDFLIUQGHRX-UHFFFAOYSA-N 1 2 361.511 2.584 20 30 FFEDLO CC(C)C1(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000601296719 520728089 /nfs/dbraw/zinc/72/80/89/520728089.db2.gz YLPGDFLIUQGHRX-UHFFFAOYSA-N 1 2 361.511 2.584 20 30 FFEDLO COC(=O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)CC(C)(C)C#N ZINC000598606043 520739280 /nfs/dbraw/zinc/73/92/80/520739280.db2.gz IMXSFKCQIJPRHV-OAHLLOKOSA-N 1 2 372.387 2.981 20 30 FFEDLO COC(=O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)CC(C)(C)C#N ZINC000598606043 520739288 /nfs/dbraw/zinc/73/92/88/520739288.db2.gz IMXSFKCQIJPRHV-OAHLLOKOSA-N 1 2 372.387 2.981 20 30 FFEDLO CO[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000595824430 520746721 /nfs/dbraw/zinc/74/67/21/520746721.db2.gz GMFBPWWTVYTJHI-FQEVSTJZSA-N 1 2 370.497 2.591 20 30 FFEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000601351196 520751752 /nfs/dbraw/zinc/75/17/52/520751752.db2.gz XCLIXQQYPZXNEK-SFHVURJKSA-N 1 2 368.506 2.515 20 30 FFEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000601351196 520751763 /nfs/dbraw/zinc/75/17/63/520751763.db2.gz XCLIXQQYPZXNEK-SFHVURJKSA-N 1 2 368.506 2.515 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCc1cccc(Br)c1 ZINC000593154304 520784846 /nfs/dbraw/zinc/78/48/46/520784846.db2.gz GENGAMYXUJHEAJ-INIZCTEOSA-N 1 2 352.276 2.732 20 30 FFEDLO C[C@@H]1C[C@H](NC(=O)Cc2ccc(Br)cc2C#N)c2[nH+]ccn21 ZINC000593169202 520794890 /nfs/dbraw/zinc/79/48/90/520794890.db2.gz OCBGKSFCBPYXQJ-YGRLFVJLSA-N 1 2 359.227 2.882 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1c(Cl)cccc1Br ZINC000598836342 520868964 /nfs/dbraw/zinc/86/89/64/520868964.db2.gz GWPSYOWVCULXKK-AWEZNQCLSA-N 1 2 358.667 2.605 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc2cccnc2c1Br ZINC000596039615 520872267 /nfs/dbraw/zinc/87/22/67/520872267.db2.gz RQDJXJDGCRLPHK-CYBMUJFWSA-N 1 2 364.243 2.582 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc2cccnc2c1Br ZINC000596039615 520872273 /nfs/dbraw/zinc/87/22/73/520872273.db2.gz RQDJXJDGCRLPHK-CYBMUJFWSA-N 1 2 364.243 2.582 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1F ZINC000596109377 520918541 /nfs/dbraw/zinc/91/85/41/520918541.db2.gz OJOLOUGQCCAMNQ-PBHICJAKSA-N 1 2 355.417 2.984 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@H](CC#N)C1)c1ccc(F)cc1 ZINC000596110826 520919097 /nfs/dbraw/zinc/91/90/97/520919097.db2.gz UGISBEIJQDWLMK-RHSMWYFYSA-N 1 2 355.417 2.984 20 30 FFEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1C ZINC000598943893 520933975 /nfs/dbraw/zinc/93/39/75/520933975.db2.gz JERQJLVMRMBYSY-KRWDZBQOSA-N 1 2 374.448 2.632 20 30 FFEDLO Cc1cc(N2CCO[C@@H](C(C)C)C2)c(C#N)c(N2CCO[C@H](C(C)C)C2)[nH+]1 ZINC000596187541 520958977 /nfs/dbraw/zinc/95/89/77/520958977.db2.gz QAJDROGZRASYPX-UXHICEINSA-N 1 2 372.513 2.984 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCc4ccccc43)CC2)cc1 ZINC000614466113 520982896 /nfs/dbraw/zinc/98/28/96/520982896.db2.gz VNOBPFHMOWAHEZ-HXUWFJFHSA-N 1 2 367.474 2.552 20 30 FFEDLO CC[C@@H](C#N)C(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000593477862 521019773 /nfs/dbraw/zinc/01/97/73/521019773.db2.gz KVVJWRRFZPTNCX-AWEZNQCLSA-N 1 2 359.861 2.572 20 30 FFEDLO CC[C@@H](C#N)C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000593477862 521019782 /nfs/dbraw/zinc/01/97/82/521019782.db2.gz KVVJWRRFZPTNCX-AWEZNQCLSA-N 1 2 359.861 2.572 20 30 FFEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1)c1cccc2ccccc21 ZINC000611175177 521023235 /nfs/dbraw/zinc/02/32/35/521023235.db2.gz UZWHQXVJQKPTOK-ROUUACIJSA-N 1 2 364.493 2.937 20 30 FFEDLO N#Cc1ccc(CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cc1 ZINC000596321603 521027145 /nfs/dbraw/zinc/02/71/45/521027145.db2.gz KRQUJPIHHRAAOU-UHFFFAOYSA-N 1 2 366.421 2.953 20 30 FFEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cn1 ZINC000611209326 521038394 /nfs/dbraw/zinc/03/83/94/521038394.db2.gz YHZINOZWBNZIAW-LFDOHDQPSA-N 1 2 358.486 2.841 20 30 FFEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cn1 ZINC000611209326 521038403 /nfs/dbraw/zinc/03/84/03/521038403.db2.gz YHZINOZWBNZIAW-LFDOHDQPSA-N 1 2 358.486 2.841 20 30 FFEDLO CN(CCCn1cc[nH+]c1)C(=O)Cc1ccc(Br)cc1C#N ZINC000593539454 521060981 /nfs/dbraw/zinc/06/09/81/521060981.db2.gz URRDETFEJLVCRH-UHFFFAOYSA-N 1 2 361.243 2.608 20 30 FFEDLO Cc1oc(-c2ccccc2)cc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000599230237 521098333 /nfs/dbraw/zinc/09/83/33/521098333.db2.gz NOKRUJIRBQHWMI-UHFFFAOYSA-N 1 2 367.449 2.943 20 30 FFEDLO Cc1cn2ccc(C(=O)N3CCCN(c4ccccc4C#N)CC3)cc2[nH+]1 ZINC000602066941 521119136 /nfs/dbraw/zinc/11/91/36/521119136.db2.gz QIKKMDUCFYSURG-UHFFFAOYSA-N 1 2 359.433 2.867 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N(CCC#N)Cc2cccnc2)cc1 ZINC000602083973 521133095 /nfs/dbraw/zinc/13/30/95/521133095.db2.gz GVQDDHBZTHZGHX-FQEVSTJZSA-N 1 2 364.449 2.607 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N(CCC#N)Cc2cccnc2)cc1 ZINC000602083973 521133102 /nfs/dbraw/zinc/13/31/02/521133102.db2.gz GVQDDHBZTHZGHX-FQEVSTJZSA-N 1 2 364.449 2.607 20 30 FFEDLO C[C@@H]1C[N@H+](CCNC(=O)N[C@H](CCCC#N)c2ccccc2)[C@@H](C)CO1 ZINC000596606582 521164225 /nfs/dbraw/zinc/16/42/25/521164225.db2.gz RGARHNBEVAVRMG-YQVWRLOYSA-N 1 2 358.486 2.830 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@H](CCCC#N)c2ccccc2)[C@@H](C)CO1 ZINC000596606582 521164235 /nfs/dbraw/zinc/16/42/35/521164235.db2.gz RGARHNBEVAVRMG-YQVWRLOYSA-N 1 2 358.486 2.830 20 30 FFEDLO CCCCCc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[nH]n1 ZINC000596658006 521195646 /nfs/dbraw/zinc/19/56/46/521195646.db2.gz FYYIPLBVCPJVHW-UHFFFAOYSA-N 1 2 365.481 2.972 20 30 FFEDLO CSc1ccc(O)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000596658766 521195823 /nfs/dbraw/zinc/19/58/23/521195823.db2.gz OAZHBBLRTMZJBQ-UHFFFAOYSA-N 1 2 367.474 2.944 20 30 FFEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)CO1 ZINC000596775367 521276268 /nfs/dbraw/zinc/27/62/68/521276268.db2.gz UEUNKDRZJPHABT-NWDGAFQWSA-N 1 2 370.375 2.808 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)CO1 ZINC000596775367 521276274 /nfs/dbraw/zinc/27/62/74/521276274.db2.gz UEUNKDRZJPHABT-NWDGAFQWSA-N 1 2 370.375 2.808 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc1C#N ZINC000596802467 521294886 /nfs/dbraw/zinc/29/48/86/521294886.db2.gz XVQLOZXJSIPSEB-CABCVRRESA-N 1 2 360.458 2.576 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc1C#N ZINC000596802467 521294894 /nfs/dbraw/zinc/29/48/94/521294894.db2.gz XVQLOZXJSIPSEB-CABCVRRESA-N 1 2 360.458 2.576 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000602448356 521351059 /nfs/dbraw/zinc/35/10/59/521351059.db2.gz JHIMRFVILULBGY-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000602448356 521351069 /nfs/dbraw/zinc/35/10/69/521351069.db2.gz JHIMRFVILULBGY-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO N#Cc1cccc(NC(=O)CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1 ZINC000599660406 521373723 /nfs/dbraw/zinc/37/37/23/521373723.db2.gz QEHUFUBEELLFNH-UHFFFAOYSA-N 1 2 373.460 2.796 20 30 FFEDLO COc1ccc(OC)c(NC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599677698 521392429 /nfs/dbraw/zinc/39/24/29/521392429.db2.gz CFMSSUFMILHUCB-UHFFFAOYSA-N 1 2 365.433 2.767 20 30 FFEDLO COc1ccc(OC)c(NC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599677698 521392437 /nfs/dbraw/zinc/39/24/37/521392437.db2.gz CFMSSUFMILHUCB-UHFFFAOYSA-N 1 2 365.433 2.767 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cccc(OC4CC4)c3F)CC2)c1 ZINC000596983467 521422668 /nfs/dbraw/zinc/42/26/68/521422668.db2.gz ZYOIZLHIQLJUSR-UHFFFAOYSA-N 1 2 352.413 2.956 20 30 FFEDLO N#C[C@]1(F)CCN(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)C1 ZINC000615541381 521435801 /nfs/dbraw/zinc/43/58/01/521435801.db2.gz OZZWAWAPJWUZHI-LJQANCHMSA-N 1 2 355.417 2.663 20 30 FFEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@](F)(C#N)C2)c(C)c1 ZINC000615593405 521459959 /nfs/dbraw/zinc/45/99/59/521459959.db2.gz YJXAQTLHWBVVJU-MJGOQNOKSA-N 1 2 355.417 2.888 20 30 FFEDLO C=C(C)C[C@@H](NCc1c[nH+]c2ccc(Br)cn12)C(=O)OC ZINC000602732740 521502109 /nfs/dbraw/zinc/50/21/09/521502109.db2.gz DDZVCTJRGRLBOU-CYBMUJFWSA-N 1 2 352.232 2.694 20 30 FFEDLO C[C@@]1(C#N)CCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000612161713 521512068 /nfs/dbraw/zinc/51/20/68/521512068.db2.gz HYMSRJXBPQGPPQ-ZBFHGGJFSA-N 1 2 353.260 2.814 20 30 FFEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000612161713 521512076 /nfs/dbraw/zinc/51/20/76/521512076.db2.gz HYMSRJXBPQGPPQ-ZBFHGGJFSA-N 1 2 353.260 2.814 20 30 FFEDLO C[C@]1(C#N)CCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000612161707 521512652 /nfs/dbraw/zinc/51/26/52/521512652.db2.gz HYMSRJXBPQGPPQ-GDBMZVCRSA-N 1 2 353.260 2.814 20 30 FFEDLO C[C@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000612161707 521512658 /nfs/dbraw/zinc/51/26/58/521512658.db2.gz HYMSRJXBPQGPPQ-GDBMZVCRSA-N 1 2 353.260 2.814 20 30 FFEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCCO1 ZINC000594281142 521533094 /nfs/dbraw/zinc/53/30/94/521533094.db2.gz BZTHMLNPJZEBCE-UXHICEINSA-N 1 2 370.497 2.733 20 30 FFEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N2CCC[C@](C)(C#N)C2)cc1 ZINC000612357524 521590739 /nfs/dbraw/zinc/59/07/39/521590739.db2.gz HHCDLVDCSAHGKG-PZJWPPBQSA-N 1 2 370.497 2.704 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@](C)(C#N)C1)c1cccc(F)c1 ZINC000612359688 521592130 /nfs/dbraw/zinc/59/21/30/521592130.db2.gz VNOXGUSPLRQPIQ-APWZRJJASA-N 1 2 355.417 2.984 20 30 FFEDLO Cn1cc[nH+]c1-c1cccc(NS(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619569610 521772758 /nfs/dbraw/zinc/77/27/58/521772758.db2.gz AOGGWFAJUQRHFT-UHFFFAOYSA-N 1 2 352.419 2.954 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1CNC(C)=O ZINC000626153983 521972859 /nfs/dbraw/zinc/97/28/59/521972859.db2.gz BYPNBMVWBHWYFD-MRXNPFEDSA-N 1 2 361.511 2.894 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(C)=O ZINC000626153983 521972865 /nfs/dbraw/zinc/97/28/65/521972865.db2.gz BYPNBMVWBHWYFD-MRXNPFEDSA-N 1 2 361.511 2.894 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)nn1 ZINC000623704958 522229099 /nfs/dbraw/zinc/22/90/99/522229099.db2.gz WOBHCZGTJOJTKJ-OAHLLOKOSA-N 1 2 363.824 2.542 20 30 FFEDLO N#Cc1ccc(NCC(=O)NCc2[nH+]ccn2CCCc2ccccc2)nc1 ZINC000497726830 538782871 /nfs/dbraw/zinc/78/28/71/538782871.db2.gz FXPBTULLTHYZAQ-UHFFFAOYSA-N 1 2 374.448 2.511 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CNc3ccc(C#N)cn3)n2)C1 ZINC000502082650 561611697 /nfs/dbraw/zinc/61/16/97/561611697.db2.gz IYSXSAJEIIQNOL-CYBMUJFWSA-N 1 2 370.482 2.692 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CNc3ccc(C#N)cn3)n2)C1 ZINC000502082650 561611698 /nfs/dbraw/zinc/61/16/98/561611698.db2.gz IYSXSAJEIIQNOL-CYBMUJFWSA-N 1 2 370.482 2.692 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCN(C(=O)[O-])C3)CC2)cc1 ZINC000833971741 606008231 /nfs/dbraw/zinc/00/82/31/606008231.db2.gz MFDFHNZPUWHAKB-SFHVURJKSA-N 1 2 356.470 2.502 20 30 FFEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824634695 608461433 /nfs/dbraw/zinc/46/14/33/608461433.db2.gz XHLDWWSBUWIHQL-GFCCVEGCSA-N 1 2 372.392 2.639 20 30 FFEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)c1cccc(C#N)c1 ZINC000824633242 608483973 /nfs/dbraw/zinc/48/39/73/608483973.db2.gz IWISYZQGLSEZJC-GFCCVEGCSA-N 1 2 372.392 2.639 20 30 FFEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c1=S ZINC000155466567 728829499 /nfs/dbraw/zinc/82/94/99/728829499.db2.gz NZWTVKLOWIYQMZ-GOEBONIOSA-N 1 2 359.499 2.855 20 30 FFEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c1=S ZINC000155466567 728829503 /nfs/dbraw/zinc/82/95/03/728829503.db2.gz NZWTVKLOWIYQMZ-GOEBONIOSA-N 1 2 359.499 2.855 20 30 FFEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000068334341 728189820 /nfs/dbraw/zinc/18/98/20/728189820.db2.gz AOTKJTNYDFOICL-UHFFFAOYSA-N 1 2 360.454 2.711 20 30 FFEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000068334341 728189823 /nfs/dbraw/zinc/18/98/23/728189823.db2.gz AOTKJTNYDFOICL-UHFFFAOYSA-N 1 2 360.454 2.711 20 30 FFEDLO CCc1nsc(N2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)n1 ZINC000093643004 728476693 /nfs/dbraw/zinc/47/66/93/728476693.db2.gz BBZYAAFQCHWNSE-CQSZACIVSA-N 1 2 357.483 2.714 20 30 FFEDLO CCc1nsc(N2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)n1 ZINC000093643003 728476750 /nfs/dbraw/zinc/47/67/50/728476750.db2.gz BBZYAAFQCHWNSE-AWEZNQCLSA-N 1 2 357.483 2.714 20 30 FFEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCC(=O)N1CCc2sccc2C1 ZINC000106067186 728509665 /nfs/dbraw/zinc/50/96/65/728509665.db2.gz WIBHLZQRPBZORY-UHFFFAOYSA-N 1 2 363.870 2.818 20 30 FFEDLO N#Cc1ccc(OCC[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000121625350 728633390 /nfs/dbraw/zinc/63/33/90/728633390.db2.gz OWRZRTFHQXZCGJ-WMZOPIPTSA-N 1 2 358.463 2.823 20 30 FFEDLO N#Cc1ccc(OCC[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000121625350 728633394 /nfs/dbraw/zinc/63/33/94/728633394.db2.gz OWRZRTFHQXZCGJ-WMZOPIPTSA-N 1 2 358.463 2.823 20 30 FFEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)CC2CCOCC2)c1=S ZINC000124705945 728673425 /nfs/dbraw/zinc/67/34/25/728673425.db2.gz OXHNVZNEUKUANH-UHFFFAOYSA-N 1 2 359.499 2.978 20 30 FFEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)CC2CCOCC2)c1=S ZINC000124705945 728673426 /nfs/dbraw/zinc/67/34/26/728673426.db2.gz OXHNVZNEUKUANH-UHFFFAOYSA-N 1 2 359.499 2.978 20 30 FFEDLO Cc1cc(C)n([C@H](C)CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000328850370 729795495 /nfs/dbraw/zinc/79/54/95/729795495.db2.gz RSFLOKMSERHUBC-AEFFLSMTSA-N 1 2 366.531 2.615 20 30 FFEDLO C[C@H]1C[NH+]=C(NN=Cc2csc(-c3cccc(Br)c3)n2)N1 ZINC000779800735 738485080 /nfs/dbraw/zinc/48/50/80/738485080.db2.gz PMOBWXRSFCNWNY-VIFPVBQESA-N 1 2 364.272 2.844 20 30 FFEDLO C=CC[C@@H]1CC[N@@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000862441290 730702895 /nfs/dbraw/zinc/70/28/95/730702895.db2.gz QGCMDIMPMXSNCX-KGLIPLIRSA-N 1 2 357.907 2.603 20 30 FFEDLO C=CC[C@@H]1CC[N@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000862441290 730702897 /nfs/dbraw/zinc/70/28/97/730702897.db2.gz QGCMDIMPMXSNCX-KGLIPLIRSA-N 1 2 357.907 2.603 20 30 FFEDLO N#C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000865655635 730982184 /nfs/dbraw/zinc/98/21/84/730982184.db2.gz KQYCMCHMWQSIEU-BGTMTDRBSA-N 1 2 354.237 2.563 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)nn1 ZINC000657375522 731774603 /nfs/dbraw/zinc/77/46/03/731774603.db2.gz HRFZQMVXZIPXLF-INIZCTEOSA-N 1 2 359.861 2.793 20 30 FFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000660448871 732110431 /nfs/dbraw/zinc/11/04/31/732110431.db2.gz VYDWMSVAISZZRU-AOIWGVFYSA-N 1 2 367.559 2.628 20 30 FFEDLO COCCc1ncc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)s1 ZINC000877746790 732422852 /nfs/dbraw/zinc/42/28/52/732422852.db2.gz KVNCTEMLFLYRRM-UHFFFAOYSA-N 1 2 360.458 2.665 20 30 FFEDLO Cc1csc([C@H]2CC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)n1 ZINC000880008246 732818178 /nfs/dbraw/zinc/81/81/78/732818178.db2.gz BDOZYASOCLETHJ-HNNXBMFYSA-N 1 2 361.492 2.586 20 30 FFEDLO Cc1csc([C@H]2CC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)n1 ZINC000880008246 732818180 /nfs/dbraw/zinc/81/81/80/732818180.db2.gz BDOZYASOCLETHJ-HNNXBMFYSA-N 1 2 361.492 2.586 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000884173405 733489898 /nfs/dbraw/zinc/48/98/98/733489898.db2.gz UQHYIXFPUBTBBQ-LBPRGKRZSA-N 1 2 357.237 2.545 20 30 FFEDLO N#Cc1cccc(CNC(=O)CO[NH+]=C(N)Cc2ccc(Cl)cc2)c1 ZINC000729986853 734607230 /nfs/dbraw/zinc/60/72/30/734607230.db2.gz BVOZDUXGCGINRW-UHFFFAOYSA-N 1 2 356.813 2.569 20 30 FFEDLO C=CCN1C(=O)N[C@H](c2cc(-n3cc[nH+]c3)cs2)C(C(=O)OC)=C1C ZINC000783926713 738849727 /nfs/dbraw/zinc/84/97/27/738849727.db2.gz HZTSWRBHKRQTTB-OAHLLOKOSA-N 1 2 358.423 2.633 20 30 FFEDLO CCOC(=O)N1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735310412 734940225 /nfs/dbraw/zinc/94/02/25/734940225.db2.gz ZTYWPYKWKIFEIS-UHFFFAOYSA-N 1 2 351.834 2.907 20 30 FFEDLO CCOC(=O)N1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735310412 734940228 /nfs/dbraw/zinc/94/02/28/734940228.db2.gz ZTYWPYKWKIFEIS-UHFFFAOYSA-N 1 2 351.834 2.907 20 30 FFEDLO Clc1ccccc1Cn1cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)cn1 ZINC000753937155 736108125 /nfs/dbraw/zinc/10/81/25/736108125.db2.gz WLFWLTDZCZLPJP-IRXDYDNUSA-N 1 2 356.861 2.779 20 30 FFEDLO N#Cc1ccc(Br)c(COC(=O)CCc2ccc(N)[nH+]c2)c1 ZINC000755549044 736261051 /nfs/dbraw/zinc/26/10/51/736261051.db2.gz CLWATDYWTLWDHW-UHFFFAOYSA-N 1 2 360.211 2.974 20 30 FFEDLO C[C@](O)(C[NH2+]Cc1nccc(C(F)(F)F)n1)C(F)(F)C(F)(F)F ZINC000905286731 736322540 /nfs/dbraw/zinc/32/25/40/736322540.db2.gz RIGNKBWWHKCYSQ-QMMMGPOBSA-N 1 2 353.213 2.534 20 30 FFEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@@H](Cc4nccs4)C3)c1=O)CCC2 ZINC000905733977 736390709 /nfs/dbraw/zinc/39/07/09/736390709.db2.gz LFTXJENJGBCZBR-AWEZNQCLSA-N 1 2 354.479 2.577 20 30 FFEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@@H](Cc4nccs4)C3)c1=O)CCC2 ZINC000905733977 736390714 /nfs/dbraw/zinc/39/07/14/736390714.db2.gz LFTXJENJGBCZBR-AWEZNQCLSA-N 1 2 354.479 2.577 20 30 FFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000765843437 737165919 /nfs/dbraw/zinc/16/59/19/737165919.db2.gz TWOMKGMKTGDHGE-KSSFIOAISA-N 1 2 355.463 2.559 20 30 FFEDLO COc1cc(C#N)cc(Br)c1OC(=O)CCCn1cc[nH+]c1 ZINC000769717208 737557620 /nfs/dbraw/zinc/55/76/20/737557620.db2.gz YGSSMNGYFOJIST-UHFFFAOYSA-N 1 2 364.199 2.912 20 30 FFEDLO NC(=[NH+]OCCCS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000918186171 737797382 /nfs/dbraw/zinc/79/73/82/737797382.db2.gz VAIOTLOMKRGCOU-UHFFFAOYSA-N 1 2 352.843 2.841 20 30 FFEDLO C=CCOc1ccc(CNC(=O)NCc2nc(C[NH+](C)C)cs2)cc1 ZINC000922416891 738141101 /nfs/dbraw/zinc/14/11/01/738141101.db2.gz CSIBVOUJYZCIDF-UHFFFAOYSA-N 1 2 360.483 2.769 20 30 FFEDLO C=C(C)CNC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000777654161 738310657 /nfs/dbraw/zinc/31/06/57/738310657.db2.gz JOZCCUCMDQTJAJ-UHFFFAOYSA-N 1 2 357.376 2.989 20 30 FFEDLO C#CC1(O)CC[NH+](Cc2nc(-c3ccc(Br)s3)no2)CC1 ZINC000931144011 739218525 /nfs/dbraw/zinc/21/85/25/739218525.db2.gz QHDLHMDMTIHXTO-UHFFFAOYSA-N 1 2 368.256 2.521 20 30 FFEDLO Cc1ccc(NC(=O)N2CC[NH+](CCO[C@@H](C)C#N)CC2)cc1Cl ZINC000801936594 740665710 /nfs/dbraw/zinc/66/57/10/740665710.db2.gz SSDVMXREIBHMHD-AWEZNQCLSA-N 1 2 350.850 2.727 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC(=C)Br ZINC000969028608 740727577 /nfs/dbraw/zinc/72/75/77/740727577.db2.gz YAQBIHYCLFDIIP-XHSDSOJGSA-N 1 2 371.319 2.847 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC(=C)Br ZINC000969028608 740727581 /nfs/dbraw/zinc/72/75/81/740727581.db2.gz YAQBIHYCLFDIIP-XHSDSOJGSA-N 1 2 371.319 2.847 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC000970569580 740752652 /nfs/dbraw/zinc/75/26/52/740752652.db2.gz BQIGJDBYIDZJGL-OWQGQXMQSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)c(C)s2)C1 ZINC000971555885 740787284 /nfs/dbraw/zinc/78/72/84/740787284.db2.gz MBNGRMFSBORWQS-BBWFWOEESA-N 1 2 363.527 2.774 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)c(C)s2)C1 ZINC000971555885 740787287 /nfs/dbraw/zinc/78/72/87/740787287.db2.gz MBNGRMFSBORWQS-BBWFWOEESA-N 1 2 363.527 2.774 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)c(C)s2)C1 ZINC000972521977 740833474 /nfs/dbraw/zinc/83/34/74/740833474.db2.gz CMGCCSUKPVUCLH-BQFCYCMXSA-N 1 2 363.527 2.774 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)c(C)s2)C1 ZINC000972521977 740833480 /nfs/dbraw/zinc/83/34/80/740833480.db2.gz CMGCCSUKPVUCLH-BQFCYCMXSA-N 1 2 363.527 2.774 20 30 FFEDLO C#C[C@H](NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000805137968 740944381 /nfs/dbraw/zinc/94/43/81/740944381.db2.gz WFIOFGPWGIPFNM-IGCXYCKISA-N 1 2 367.852 2.562 20 30 FFEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc(Cl)cc1F ZINC000805185866 740948250 /nfs/dbraw/zinc/94/82/50/740948250.db2.gz RFTPBCMMPYVBAE-MRXNPFEDSA-N 1 2 367.852 2.563 20 30 FFEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc(Cl)cc1F ZINC000805185866 740948252 /nfs/dbraw/zinc/94/82/52/740948252.db2.gz RFTPBCMMPYVBAE-MRXNPFEDSA-N 1 2 367.852 2.563 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@@H]12 ZINC000978165030 741084776 /nfs/dbraw/zinc/08/47/76/741084776.db2.gz HEHACMMOMDTYJQ-HYOLIHEGSA-N 1 2 359.297 2.581 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@@H]12 ZINC000978165030 741084780 /nfs/dbraw/zinc/08/47/80/741084780.db2.gz HEHACMMOMDTYJQ-HYOLIHEGSA-N 1 2 359.297 2.581 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2nc(C)sc2C)CC1 ZINC000981186408 741139373 /nfs/dbraw/zinc/13/93/73/741139373.db2.gz RHWQWZPFTWAROY-AEFFLSMTSA-N 1 2 363.527 2.775 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2nc(C)sc2C)CC1 ZINC000981186408 741139375 /nfs/dbraw/zinc/13/93/75/741139375.db2.gz RHWQWZPFTWAROY-AEFFLSMTSA-N 1 2 363.527 2.775 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccncc2Cl)C1 ZINC001008840233 742409604 /nfs/dbraw/zinc/40/96/04/742409604.db2.gz MZFSEUAWGPYQMI-BQFCYCMXSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC001008840233 742409607 /nfs/dbraw/zinc/40/96/07/742409607.db2.gz MZFSEUAWGPYQMI-BQFCYCMXSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2OC)C1 ZINC001015726711 742479396 /nfs/dbraw/zinc/47/93/96/742479396.db2.gz RPBFIZFNBNYOCZ-CPUCHLNUSA-N 1 2 364.873 2.630 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2c(Cl)cccc2OC)C1 ZINC001015726711 742479402 /nfs/dbraw/zinc/47/94/02/742479402.db2.gz RPBFIZFNBNYOCZ-CPUCHLNUSA-N 1 2 364.873 2.630 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC001015828703 742484898 /nfs/dbraw/zinc/48/48/98/742484898.db2.gz KGIMTEASGWUUHZ-VKJFTORMSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001015828703 742484900 /nfs/dbraw/zinc/48/49/00/742484900.db2.gz KGIMTEASGWUUHZ-VKJFTORMSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1nc(C)cs1 ZINC001028188406 742788427 /nfs/dbraw/zinc/78/84/27/742788427.db2.gz AJXJDMYDIWTNLR-RYRKJORJSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1nc(C)cs1 ZINC001028188406 742788429 /nfs/dbraw/zinc/78/84/29/742788429.db2.gz AJXJDMYDIWTNLR-RYRKJORJSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(C)s1 ZINC001029511615 742812486 /nfs/dbraw/zinc/81/24/86/742812486.db2.gz TVJFUUPSBVRDJF-MVJTYMMSSA-N 1 2 361.511 2.608 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(C)s1 ZINC001029511615 742812492 /nfs/dbraw/zinc/81/24/92/742812492.db2.gz TVJFUUPSBVRDJF-MVJTYMMSSA-N 1 2 361.511 2.608 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2nc(C)sc2C)C1 ZINC001033086998 742871288 /nfs/dbraw/zinc/87/12/88/742871288.db2.gz NXZXQKALOVJHRI-JZXOWHBKSA-N 1 2 363.527 2.774 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001033086998 742871298 /nfs/dbraw/zinc/87/12/98/742871298.db2.gz NXZXQKALOVJHRI-JZXOWHBKSA-N 1 2 363.527 2.774 20 30 FFEDLO C#CCOc1ccc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000823374262 742893484 /nfs/dbraw/zinc/89/34/84/742893484.db2.gz RVPZNRQRHCCGSN-HNNXBMFYSA-N 1 2 351.328 2.705 20 30 FFEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001034255930 742917093 /nfs/dbraw/zinc/91/70/93/742917093.db2.gz GVFLMCCZBUIMJX-ILXRZTDVSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001034255930 742917097 /nfs/dbraw/zinc/91/70/97/742917097.db2.gz GVFLMCCZBUIMJX-ILXRZTDVSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(C[NH+](Cc3nccs3)C2)CC1 ZINC001035707058 742955827 /nfs/dbraw/zinc/95/58/27/742955827.db2.gz BYMMQUJJVRHGOA-CVEARBPZSA-N 1 2 361.511 2.549 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001046320598 743316569 /nfs/dbraw/zinc/31/65/69/743316569.db2.gz WMWNRSKMHJXVIT-JKIFEVAISA-N 1 2 369.918 2.858 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001046320598 743316577 /nfs/dbraw/zinc/31/65/77/743316577.db2.gz WMWNRSKMHJXVIT-JKIFEVAISA-N 1 2 369.918 2.858 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(=C)Br ZINC001049734370 743483298 /nfs/dbraw/zinc/48/32/98/743483298.db2.gz DGXBOJQIKCTZPZ-QXSJWSMHSA-N 1 2 369.303 2.551 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(=C)Br ZINC001049734370 743483302 /nfs/dbraw/zinc/48/33/02/743483302.db2.gz DGXBOJQIKCTZPZ-QXSJWSMHSA-N 1 2 369.303 2.551 20 30 FFEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)O2 ZINC001053617932 744992331 /nfs/dbraw/zinc/99/23/31/744992331.db2.gz KMIKKITVYQNBIE-KFWWJZLASA-N 1 2 360.420 2.891 20 30 FFEDLO C#CC[NH+]1CCN(Cn2cc(-c3ccc(Br)cc3)cn2)CC1 ZINC000848474758 748936342 /nfs/dbraw/zinc/93/63/42/748936342.db2.gz GSKPORSPSCSRAX-UHFFFAOYSA-N 1 2 359.271 2.521 20 30 FFEDLO CCCCCCC/C=C/C[NH+]1CC2(C1)COCC(=O)N2CCOCC ZINC001275840783 1013068620 /nfs/dbraw/zinc/06/86/20/1013068620.db2.gz RHRVHKHLKDMVER-ZHACJKMWSA-N 1 2 352.519 2.853 20 30 FFEDLO C=C1CCC(C(=O)N2CCC[C@H](N(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000984618097 971317802 /nfs/dbraw/zinc/31/78/02/971317802.db2.gz WIVAWZURJLUIMG-RCCFBDPRSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C1CCC(C(=O)N2CCC[C@H](N(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000984618097 971317808 /nfs/dbraw/zinc/31/78/08/971317808.db2.gz WIVAWZURJLUIMG-RCCFBDPRSA-N 1 2 370.497 2.709 20 30 FFEDLO Cc1cccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095287873 1013095156 /nfs/dbraw/zinc/09/51/56/1013095156.db2.gz NYFITIHHTYXPLZ-NEWSRXKRSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095287873 1013095173 /nfs/dbraw/zinc/09/51/73/1013095173.db2.gz NYFITIHHTYXPLZ-NEWSRXKRSA-N 1 2 364.424 2.936 20 30 FFEDLO C[C@@H](OC(=O)CCc1ccc(N)[nH+]c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000759815182 971725450 /nfs/dbraw/zinc/72/54/50/971725450.db2.gz MZEIKMBRDAYZSD-LLVKDONJSA-N 1 2 372.812 2.692 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC000974718677 972139674 /nfs/dbraw/zinc/13/96/74/972139674.db2.gz HHZPEHHIYLSBGO-RDTXWAMCSA-N 1 2 366.465 2.838 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Cl)nc1F ZINC001275948732 1013218031 /nfs/dbraw/zinc/21/80/31/1013218031.db2.gz BJCLLJHQRARGSI-ZIAGYGMSSA-N 1 2 350.825 2.743 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Cl)nc1F ZINC001275948732 1013218040 /nfs/dbraw/zinc/21/80/40/1013218040.db2.gz BJCLLJHQRARGSI-ZIAGYGMSSA-N 1 2 350.825 2.743 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)c1 ZINC001275944808 1013216396 /nfs/dbraw/zinc/21/63/96/1013216396.db2.gz ARJJAGQERPHMNM-HUUCEWRRSA-N 1 2 355.335 2.825 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)c1 ZINC001275944808 1013216401 /nfs/dbraw/zinc/21/64/01/1013216401.db2.gz ARJJAGQERPHMNM-HUUCEWRRSA-N 1 2 355.335 2.825 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCC[C@]23CCN(CC(F)(F)F)C3=O)cc1C#N ZINC001275965780 1013236691 /nfs/dbraw/zinc/23/66/91/1013236691.db2.gz NZBKCYKEZFTVOF-QGZVFWFLSA-N 1 2 351.372 2.996 20 30 FFEDLO Cc1ccc(C[N@H+]2CCC[C@]23CCN(CC(F)(F)F)C3=O)cc1C#N ZINC001275965780 1013236700 /nfs/dbraw/zinc/23/67/00/1013236700.db2.gz NZBKCYKEZFTVOF-QGZVFWFLSA-N 1 2 351.372 2.996 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(F)cn2)C1 ZINC000970561586 961699985 /nfs/dbraw/zinc/69/99/85/961699985.db2.gz ZDOVADLTFKQIBX-CCKFTAQKSA-N 1 2 361.461 2.529 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1nccs1 ZINC000960303829 1013362970 /nfs/dbraw/zinc/36/29/70/1013362970.db2.gz ICFDSIYJMYYFIW-VXIBKDFQSA-N 1 2 369.490 2.606 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1F ZINC001110179037 1013374848 /nfs/dbraw/zinc/37/48/48/1013374848.db2.gz RMJHVKVYYMCPFK-PVAVHDDUSA-N 1 2 350.409 2.779 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1F ZINC001110179037 1013374857 /nfs/dbraw/zinc/37/48/57/1013374857.db2.gz RMJHVKVYYMCPFK-PVAVHDDUSA-N 1 2 350.409 2.779 20 30 FFEDLO C[N@@H+]1CCCn2nc(C(=O)N(CCC#N)Cc3ccc(Cl)cc3)cc2C1 ZINC001175076165 1013385293 /nfs/dbraw/zinc/38/52/93/1013385293.db2.gz BUWAWIKBXZEKPM-UHFFFAOYSA-N 1 2 371.872 2.928 20 30 FFEDLO C[N@H+]1CCCn2nc(C(=O)N(CCC#N)Cc3ccc(Cl)cc3)cc2C1 ZINC001175076165 1013385303 /nfs/dbraw/zinc/38/53/03/1013385303.db2.gz BUWAWIKBXZEKPM-UHFFFAOYSA-N 1 2 371.872 2.928 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@@H+](Cc3ccc(O)c4ccccc34)C[C@@]2(F)C1=O ZINC001276081305 1013416248 /nfs/dbraw/zinc/41/62/48/1013416248.db2.gz HDBSUHDQDAJGSH-VQTJNVASSA-N 1 2 358.388 2.806 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@H+](Cc3ccc(O)c4ccccc34)C[C@@]2(F)C1=O ZINC001276081305 1013416252 /nfs/dbraw/zinc/41/62/52/1013416252.db2.gz HDBSUHDQDAJGSH-VQTJNVASSA-N 1 2 358.388 2.806 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110183601 1013420250 /nfs/dbraw/zinc/42/02/50/1013420250.db2.gz ZFNKFTIRMVYGMC-BIGGFVEDSA-N 1 2 357.429 2.510 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110183601 1013420253 /nfs/dbraw/zinc/42/02/53/1013420253.db2.gz ZFNKFTIRMVYGMC-BIGGFVEDSA-N 1 2 357.429 2.510 20 30 FFEDLO CCCc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)cs1 ZINC001075700308 964270676 /nfs/dbraw/zinc/27/06/76/964270676.db2.gz KUEKDHWIMGAIMT-SUMWQHHRSA-N 1 2 369.494 2.642 20 30 FFEDLO CCCc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)cs1 ZINC001075700308 964270681 /nfs/dbraw/zinc/27/06/81/964270681.db2.gz KUEKDHWIMGAIMT-SUMWQHHRSA-N 1 2 369.494 2.642 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000051180191 964282487 /nfs/dbraw/zinc/28/24/87/964282487.db2.gz KYHDEVGYXNLALM-IBGZPJMESA-N 1 2 361.367 2.831 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)cc(F)c1 ZINC001111489594 964483959 /nfs/dbraw/zinc/48/39/59/964483959.db2.gz DWMYWUMXSYUDJP-XKDXWZMYSA-N 1 2 350.409 2.777 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)cc(F)c1 ZINC001111489594 964483967 /nfs/dbraw/zinc/48/39/67/964483967.db2.gz DWMYWUMXSYUDJP-XKDXWZMYSA-N 1 2 350.409 2.777 20 30 FFEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000960896506 1013516766 /nfs/dbraw/zinc/51/67/66/1013516766.db2.gz REOPOCCWAYSRIH-NMLBUPMWSA-N 1 2 371.456 2.688 20 30 FFEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000960896506 1013516770 /nfs/dbraw/zinc/51/67/70/1013516770.db2.gz REOPOCCWAYSRIH-NMLBUPMWSA-N 1 2 371.456 2.688 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001111489825 964805423 /nfs/dbraw/zinc/80/54/23/964805423.db2.gz LWXBALZHXJUEEA-AZFSHXRASA-N 1 2 357.429 2.510 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001111489825 964805433 /nfs/dbraw/zinc/80/54/33/964805433.db2.gz LWXBALZHXJUEEA-AZFSHXRASA-N 1 2 357.429 2.510 20 30 FFEDLO O=C1NCC[C@H]2CCC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)[C@@H]12 ZINC001175661289 1013530630 /nfs/dbraw/zinc/53/06/30/1013530630.db2.gz LTEJKNNHMHNWKM-GDBMZVCRSA-N 1 2 352.356 2.537 20 30 FFEDLO O=C1NCC[C@H]2CCC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)[C@@H]12 ZINC001175661289 1013530634 /nfs/dbraw/zinc/53/06/34/1013530634.db2.gz LTEJKNNHMHNWKM-GDBMZVCRSA-N 1 2 352.356 2.537 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(Cl)no2)C1 ZINC001087469271 965290033 /nfs/dbraw/zinc/29/00/33/965290033.db2.gz SWCXSMWZYNPLJZ-HUUCEWRRSA-N 1 2 361.804 2.688 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(Cl)no2)C1 ZINC001087469271 965290048 /nfs/dbraw/zinc/29/00/48/965290048.db2.gz SWCXSMWZYNPLJZ-HUUCEWRRSA-N 1 2 361.804 2.688 20 30 FFEDLO Cn1ccnc1C[NH+]1CCC(C(=O)N(CC#N)c2ccc(Cl)cc2)CC1 ZINC000843611054 966302987 /nfs/dbraw/zinc/30/29/87/966302987.db2.gz ROIWBBVGGXTLGM-UHFFFAOYSA-N 1 2 371.872 2.842 20 30 FFEDLO C#C[C@H](NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)[C@H]1CCCO1 ZINC000773557685 1013656457 /nfs/dbraw/zinc/65/64/57/1013656457.db2.gz JMBYIJHSUYLZLR-XUVXKRRUSA-N 1 2 366.465 2.721 20 30 FFEDLO C=C(C)C(=O)NCCCNc1cc(/C=N/[S@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001167667412 967411403 /nfs/dbraw/zinc/41/14/03/967411403.db2.gz JXMPKEQULLXAEH-XDAQDVOSSA-N 1 2 364.515 2.765 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1ccn(C2CCCC2)n1 ZINC001267250919 967448537 /nfs/dbraw/zinc/44/85/37/967448537.db2.gz ZPBMVJYMGTYBNY-MOPGFXCFSA-N 1 2 360.502 2.527 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](CC)Cc1ccn(C2CCCC2)n1 ZINC001267250919 967448546 /nfs/dbraw/zinc/44/85/46/967448546.db2.gz ZPBMVJYMGTYBNY-MOPGFXCFSA-N 1 2 360.502 2.527 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCOC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087515472 967563848 /nfs/dbraw/zinc/56/38/48/967563848.db2.gz PFDIWNVTKBQEQH-YTQUADARSA-N 1 2 360.885 2.697 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCOC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087515472 967563855 /nfs/dbraw/zinc/56/38/55/967563855.db2.gz PFDIWNVTKBQEQH-YTQUADARSA-N 1 2 360.885 2.697 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000972526929 967611669 /nfs/dbraw/zinc/61/16/69/967611669.db2.gz MNHQQGRVYJBVCG-GJYPPUQNSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000972526929 967611677 /nfs/dbraw/zinc/61/16/77/967611677.db2.gz MNHQQGRVYJBVCG-GJYPPUQNSA-N 1 2 361.486 2.812 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001211590470 967614566 /nfs/dbraw/zinc/61/45/66/967614566.db2.gz LAUZELFPVGGDNB-ZWKOTPCHSA-N 1 2 366.465 2.520 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2c(F)cccc2F)C1 ZINC000972529453 967630315 /nfs/dbraw/zinc/63/03/15/967630315.db2.gz MWZLVQIAXKUUAR-DOXZYTNZSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2c(F)cccc2F)C1 ZINC000972529453 967630318 /nfs/dbraw/zinc/63/03/18/967630318.db2.gz MWZLVQIAXKUUAR-DOXZYTNZSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC2CCOCC2)[C@H]1CC ZINC001087526641 967673294 /nfs/dbraw/zinc/67/32/94/967673294.db2.gz ZAXDDIULMAOYSC-LSDHHAIUSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC2CCOCC2)[C@H]1CC ZINC001087526641 967673297 /nfs/dbraw/zinc/67/32/97/967673297.db2.gz ZAXDDIULMAOYSC-LSDHHAIUSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cc2cccnc2)[C@H]1CC ZINC001087541992 967984785 /nfs/dbraw/zinc/98/47/85/967984785.db2.gz QOEQLLMGDIVYPS-LSDHHAIUSA-N 1 2 352.276 2.502 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cc2cccnc2)[C@H]1CC ZINC001087541992 967984788 /nfs/dbraw/zinc/98/47/88/967984788.db2.gz QOEQLLMGDIVYPS-LSDHHAIUSA-N 1 2 352.276 2.502 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cc2cncs2)[C@H]1CC ZINC001087612798 968362877 /nfs/dbraw/zinc/36/28/77/968362877.db2.gz HXUJBFMIGCHHJG-QWHCGFSZSA-N 1 2 358.305 2.563 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cc2cncs2)[C@H]1CC ZINC001087612798 968362882 /nfs/dbraw/zinc/36/28/82/968362882.db2.gz HXUJBFMIGCHHJG-QWHCGFSZSA-N 1 2 358.305 2.563 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccc(COC)o2)[C@H]1CC ZINC001087649971 968479166 /nfs/dbraw/zinc/47/91/66/968479166.db2.gz QVVTUXAAQZZHSQ-UONOGXRCSA-N 1 2 371.275 2.917 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccc(COC)o2)[C@H]1CC ZINC001087649971 968479168 /nfs/dbraw/zinc/47/91/68/968479168.db2.gz QVVTUXAAQZZHSQ-UONOGXRCSA-N 1 2 371.275 2.917 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CC2=CCOCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087712476 968698449 /nfs/dbraw/zinc/69/84/49/968698449.db2.gz KJHANEBYWAJAGU-VQTJNVASSA-N 1 2 371.456 2.903 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CC2=CCOCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087712476 968698453 /nfs/dbraw/zinc/69/84/53/968698453.db2.gz KJHANEBYWAJAGU-VQTJNVASSA-N 1 2 371.456 2.903 20 30 FFEDLO C=C1CCC(C(=O)N(C)[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000984343162 968972023 /nfs/dbraw/zinc/97/20/23/968972023.db2.gz JYSKEECEQAHSDU-KZNAEPCWSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C1CCC(C(=O)N(C)[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000984343162 968972029 /nfs/dbraw/zinc/97/20/29/968972029.db2.gz JYSKEECEQAHSDU-KZNAEPCWSA-N 1 2 370.497 2.709 20 30 FFEDLO C#Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)OC(C)(C)C)cc1F ZINC001177087391 1013848400 /nfs/dbraw/zinc/84/84/00/1013848400.db2.gz FXYAQOVZWWEAKJ-MRXNPFEDSA-N 1 2 372.400 2.605 20 30 FFEDLO C#Cc1ccc(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)OC(C)(C)C)cc1F ZINC001177087391 1013848409 /nfs/dbraw/zinc/84/84/09/1013848409.db2.gz FXYAQOVZWWEAKJ-MRXNPFEDSA-N 1 2 372.400 2.605 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3csc(CC)n3)[C@@H]2CC)cn1 ZINC001087801533 969126906 /nfs/dbraw/zinc/12/69/06/969126906.db2.gz UANBBSHUZKJNAK-ZWKOTPCHSA-N 1 2 368.506 2.865 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3csc(CC)n3)[C@@H]2CC)cn1 ZINC001087801533 969126907 /nfs/dbraw/zinc/12/69/07/969126907.db2.gz UANBBSHUZKJNAK-ZWKOTPCHSA-N 1 2 368.506 2.865 20 30 FFEDLO CCN(Cc1cccc(F)c1)C(=O)CO[NH+]=C(N)c1ccc(OC)cc1 ZINC000177555371 969266027 /nfs/dbraw/zinc/26/60/27/969266027.db2.gz HVUIAEHYOXOZCR-UHFFFAOYSA-N 1 2 359.401 2.520 20 30 FFEDLO C=CCCC(C)(C)NC(=O)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000658979127 969603691 /nfs/dbraw/zinc/60/36/91/969603691.db2.gz PYHPPNLGSJKMOX-UHFFFAOYSA-N 1 2 370.453 2.762 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)c1 ZINC000874888894 1013923799 /nfs/dbraw/zinc/92/37/99/1013923799.db2.gz HOLMJMBEMFVWOT-LJQANCHMSA-N 1 2 352.413 2.550 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CCC4(CCC4)O3)CC2)cc1 ZINC000895407771 970592449 /nfs/dbraw/zinc/59/24/49/970592449.db2.gz HSJZNWIISWCICF-IBGZPJMESA-N 1 2 353.466 2.694 20 30 FFEDLO C#CC[C@@H](CCOC)NC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000875920276 1014095668 /nfs/dbraw/zinc/09/56/68/1014095668.db2.gz ZFMKYEUJDZACFI-MJGOQNOKSA-N 1 2 373.497 2.512 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000975874480 973502339 /nfs/dbraw/zinc/50/23/39/973502339.db2.gz BETWIBYNXIVGOF-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000975874480 973502347 /nfs/dbraw/zinc/50/23/47/973502347.db2.gz BETWIBYNXIVGOF-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)[C@@H](C)COC ZINC000661243818 973977891 /nfs/dbraw/zinc/97/78/91/973977891.db2.gz NWQXZZIDSAHKHI-HNNXBMFYSA-N 1 2 360.433 2.781 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)[C@@H](C)COC ZINC000661243818 973977898 /nfs/dbraw/zinc/97/78/98/973977898.db2.gz NWQXZZIDSAHKHI-HNNXBMFYSA-N 1 2 360.433 2.781 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3CCC)[C@H]2C)c1 ZINC001088843495 974207978 /nfs/dbraw/zinc/20/79/78/974207978.db2.gz GSFIWSAEPPMBGA-QOJCHSLYSA-N 1 2 367.493 2.622 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3CCC)[C@H]2C)c1 ZINC001088843495 974207982 /nfs/dbraw/zinc/20/79/82/974207982.db2.gz GSFIWSAEPPMBGA-QOJCHSLYSA-N 1 2 367.493 2.622 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ncc(C)o2)CC1(C)C ZINC000977270478 974718283 /nfs/dbraw/zinc/71/82/83/974718283.db2.gz BKYKHBMZRZHOGC-JZXOWHBKSA-N 1 2 361.486 2.681 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)o2)CC1(C)C ZINC000977270478 974718290 /nfs/dbraw/zinc/71/82/90/974718290.db2.gz BKYKHBMZRZHOGC-JZXOWHBKSA-N 1 2 361.486 2.681 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2nc(C)oc2C)CC1(C)C ZINC000977331659 974746456 /nfs/dbraw/zinc/74/64/56/974746456.db2.gz YNXIPKNZESOGHF-JQHSSLGASA-N 1 2 361.486 2.599 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)oc2C)CC1(C)C ZINC000977331659 974746461 /nfs/dbraw/zinc/74/64/61/974746461.db2.gz YNXIPKNZESOGHF-JQHSSLGASA-N 1 2 361.486 2.599 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001027586241 974946337 /nfs/dbraw/zinc/94/63/37/974946337.db2.gz YHXIUANEABETBY-KSZLIROESA-N 1 2 359.470 2.566 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001027586241 974946343 /nfs/dbraw/zinc/94/63/43/974946343.db2.gz YHXIUANEABETBY-KSZLIROESA-N 1 2 359.470 2.566 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2nc(C)oc2C)C1 ZINC001027612776 975032547 /nfs/dbraw/zinc/03/25/47/975032547.db2.gz PBFQGUWJZOGBFJ-AOIWGVFYSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nc(C)oc2C)C1 ZINC001027612776 975032552 /nfs/dbraw/zinc/03/25/52/975032552.db2.gz PBFQGUWJZOGBFJ-AOIWGVFYSA-N 1 2 361.486 2.695 20 30 FFEDLO Cc1ncsc1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001075578141 975318997 /nfs/dbraw/zinc/31/89/97/975318997.db2.gz KTYBQHXEGSYIRF-DOTOQJQBSA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1ncsc1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001075578141 975319004 /nfs/dbraw/zinc/31/90/04/975319004.db2.gz KTYBQHXEGSYIRF-DOTOQJQBSA-N 1 2 370.453 2.809 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cc(F)ccc2F)CC1 ZINC000981186372 976311116 /nfs/dbraw/zinc/31/11/16/976311116.db2.gz QFDHMQWDJVHFQJ-MJGOQNOKSA-N 1 2 364.436 2.980 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2cc(F)ccc2F)CC1 ZINC000981186372 976311125 /nfs/dbraw/zinc/31/11/25/976311125.db2.gz QFDHMQWDJVHFQJ-MJGOQNOKSA-N 1 2 364.436 2.980 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001028197505 977112659 /nfs/dbraw/zinc/11/26/59/977112659.db2.gz JPZDGTMRJUHCLH-AABGKKOBSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001028197505 977112663 /nfs/dbraw/zinc/11/26/63/977112663.db2.gz JPZDGTMRJUHCLH-AABGKKOBSA-N 1 2 371.456 2.759 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2sccc2OC)C1 ZINC001087441539 977486761 /nfs/dbraw/zinc/48/67/61/977486761.db2.gz MVTUNUGEKSVTKI-IAGOWNOFSA-N 1 2 354.475 2.978 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2sccc2OC)C1 ZINC001087441539 977486765 /nfs/dbraw/zinc/48/67/65/977486765.db2.gz MVTUNUGEKSVTKI-IAGOWNOFSA-N 1 2 354.475 2.978 20 30 FFEDLO COC(=O)C1(C#N)CCN(c2cc(Nc3ccccc3)nc(C)[nH+]2)CC1 ZINC000894066450 977651628 /nfs/dbraw/zinc/65/16/28/977651628.db2.gz BTZBUJUVZRBMFT-UHFFFAOYSA-N 1 2 351.410 2.812 20 30 FFEDLO Cc1n[nH]cc1C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001076112810 979118607 /nfs/dbraw/zinc/11/86/07/979118607.db2.gz UFHCLSRSDBASOE-QFBILLFUSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1n[nH]cc1C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001076112810 979118609 /nfs/dbraw/zinc/11/86/09/979118609.db2.gz UFHCLSRSDBASOE-QFBILLFUSA-N 1 2 368.868 2.570 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(-n4cccc4)ccn3)[C@@H]2C1 ZINC001076440625 979502691 /nfs/dbraw/zinc/50/26/91/979502691.db2.gz DEORZYSFFCDAFS-MAUKXSAKSA-N 1 2 356.857 2.771 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(-n4cccc4)ccn3)[C@@H]2C1 ZINC001076440625 979502699 /nfs/dbraw/zinc/50/26/99/979502699.db2.gz DEORZYSFFCDAFS-MAUKXSAKSA-N 1 2 356.857 2.771 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC(C)C)c3C)[C@@H]2C1 ZINC001076509866 979607610 /nfs/dbraw/zinc/60/76/10/979607610.db2.gz SHZIJLSHNJHTPW-DOTOQJQBSA-N 1 2 350.894 2.746 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC(C)C)c3C)[C@@H]2C1 ZINC001076509866 979607613 /nfs/dbraw/zinc/60/76/13/979607613.db2.gz SHZIJLSHNJHTPW-DOTOQJQBSA-N 1 2 350.894 2.746 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)n(C)c3C)[C@@H]2C1 ZINC001076548726 979649653 /nfs/dbraw/zinc/64/96/53/979649653.db2.gz FOWXOQSVRYXXPN-GOEBONIOSA-N 1 2 366.303 2.697 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)n(C)c3C)[C@@H]2C1 ZINC001076548726 979649656 /nfs/dbraw/zinc/64/96/56/979649656.db2.gz FOWXOQSVRYXXPN-GOEBONIOSA-N 1 2 366.303 2.697 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)[C@@H]2C)no1 ZINC001088458718 979693589 /nfs/dbraw/zinc/69/35/89/979693589.db2.gz LSNGSKCKSDWJKC-PBHICJAKSA-N 1 2 357.841 2.881 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)[C@@H]2C)no1 ZINC001088458718 979693595 /nfs/dbraw/zinc/69/35/95/979693595.db2.gz LSNGSKCKSDWJKC-PBHICJAKSA-N 1 2 357.841 2.881 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)Cc2ccon2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088498690 980086650 /nfs/dbraw/zinc/08/66/50/980086650.db2.gz MGDXDDNOBDWMMP-KDOFPFPSSA-N 1 2 357.841 2.501 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)Cc2ccon2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088498690 980086658 /nfs/dbraw/zinc/08/66/58/980086658.db2.gz MGDXDDNOBDWMMP-KDOFPFPSSA-N 1 2 357.841 2.501 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)CC2CCOCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088500464 980094564 /nfs/dbraw/zinc/09/45/64/980094564.db2.gz DVMSWVMZHTUQDE-KUHUBIRLSA-N 1 2 359.445 2.593 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)CC2CCOCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088500464 980094574 /nfs/dbraw/zinc/09/45/74/980094574.db2.gz DVMSWVMZHTUQDE-KUHUBIRLSA-N 1 2 359.445 2.593 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000963443273 1014634360 /nfs/dbraw/zinc/63/43/60/1014634360.db2.gz MGJIWJIPKNBMSQ-AHCXZYCDSA-N 1 2 370.497 2.707 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000963443273 1014634365 /nfs/dbraw/zinc/63/43/65/1014634365.db2.gz MGJIWJIPKNBMSQ-AHCXZYCDSA-N 1 2 370.497 2.707 20 30 FFEDLO N#C[C@]1(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC2CCC1CC2 ZINC000905313255 980415555 /nfs/dbraw/zinc/41/55/55/980415555.db2.gz JFXVBBYQBRIIEO-INXVGGANSA-N 1 2 367.493 2.855 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)co1 ZINC001088532773 980461613 /nfs/dbraw/zinc/46/16/13/980461613.db2.gz GRSSHGLMAGLPPH-PBHICJAKSA-N 1 2 355.413 2.620 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)co1 ZINC001088532773 980461615 /nfs/dbraw/zinc/46/16/15/980461615.db2.gz GRSSHGLMAGLPPH-PBHICJAKSA-N 1 2 355.413 2.620 20 30 FFEDLO N#Cc1cc2ccccc2cc1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000905916921 980539692 /nfs/dbraw/zinc/53/96/92/980539692.db2.gz LMSKGSQSKVQFAV-QUCCMNQESA-N 1 2 365.433 2.530 20 30 FFEDLO CO[C@H]1C[C@H]2C[N@H+](Cc3cc(C#N)cnc3Cl)Cc3cccnc3N2C1 ZINC000877691879 1014685928 /nfs/dbraw/zinc/68/59/28/1014685928.db2.gz QMSYUTJJDLJXOJ-IRXDYDNUSA-N 1 2 369.856 2.611 20 30 FFEDLO CO[C@H]1C[C@H]2C[N@@H+](Cc3cc(C#N)cnc3Cl)Cc3cccnc3N2C1 ZINC000877691879 1014685933 /nfs/dbraw/zinc/68/59/33/1014685933.db2.gz QMSYUTJJDLJXOJ-IRXDYDNUSA-N 1 2 369.856 2.611 20 30 FFEDLO C=C1CCC(C(=O)NCC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001059854278 980981890 /nfs/dbraw/zinc/98/18/90/980981890.db2.gz DFJIKJFGBKHNCX-CGTJXYLNSA-N 1 2 370.497 2.614 20 30 FFEDLO C=C1CCC(C(=O)NCC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001059854278 980981893 /nfs/dbraw/zinc/98/18/93/980981893.db2.gz DFJIKJFGBKHNCX-CGTJXYLNSA-N 1 2 370.497 2.614 20 30 FFEDLO C=CCC1(C(=O)NCC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCC1 ZINC001059854783 980983732 /nfs/dbraw/zinc/98/37/32/980983732.db2.gz PLXIKRBICWMBIO-GVDBMIGSSA-N 1 2 370.497 2.614 20 30 FFEDLO C=CCC1(C(=O)NCC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCC1 ZINC001059854783 980983734 /nfs/dbraw/zinc/98/37/34/980983734.db2.gz PLXIKRBICWMBIO-GVDBMIGSSA-N 1 2 370.497 2.614 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CC2(F)F)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088555264 981006372 /nfs/dbraw/zinc/00/63/72/981006372.db2.gz BKUUEEZRYCRIQJ-XPKDYRNWSA-N 1 2 352.812 2.926 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CC2(F)F)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088555264 981006375 /nfs/dbraw/zinc/00/63/75/981006375.db2.gz BKUUEEZRYCRIQJ-XPKDYRNWSA-N 1 2 352.812 2.926 20 30 FFEDLO Cc1cccc(C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c1Cl ZINC001272072148 981090563 /nfs/dbraw/zinc/09/05/63/981090563.db2.gz MGDSWPZGYBXPNO-UHFFFAOYSA-N 1 2 368.868 2.817 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CC[N@H+](C)Cc1cc(F)ccc1C#N ZINC001482635106 981257513 /nfs/dbraw/zinc/25/75/13/981257513.db2.gz UMQHYQVJSPCJRK-OALUTQOASA-N 1 2 359.445 2.569 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CC[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001482635106 981257515 /nfs/dbraw/zinc/25/75/15/981257515.db2.gz UMQHYQVJSPCJRK-OALUTQOASA-N 1 2 359.445 2.569 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)cc1OC ZINC000877785538 1014727417 /nfs/dbraw/zinc/72/74/17/1014727417.db2.gz YMZGYMJRWYCUBQ-OALUTQOASA-N 1 2 363.454 2.612 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)cc1OC ZINC000877785538 1014727425 /nfs/dbraw/zinc/72/74/25/1014727425.db2.gz YMZGYMJRWYCUBQ-OALUTQOASA-N 1 2 363.454 2.612 20 30 FFEDLO CO[C@@H]1C[N@H+](CCc2cccc(Cl)c2Cl)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041404 981468731 /nfs/dbraw/zinc/46/87/31/981468731.db2.gz ONQUVYJWEBNRSF-NILFDRSVSA-N 1 2 370.280 2.511 20 30 FFEDLO CO[C@@H]1C[N@@H+](CCc2cccc(Cl)c2Cl)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041404 981468733 /nfs/dbraw/zinc/46/87/33/981468733.db2.gz ONQUVYJWEBNRSF-NILFDRSVSA-N 1 2 370.280 2.511 20 30 FFEDLO Cc1noc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)c1C ZINC001075925662 981681256 /nfs/dbraw/zinc/68/12/56/981681256.db2.gz YGUWTWSIYDJVCR-ZWKOTPCHSA-N 1 2 350.422 2.510 20 30 FFEDLO Cc1noc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)c1C ZINC001075925662 981681261 /nfs/dbraw/zinc/68/12/61/981681261.db2.gz YGUWTWSIYDJVCR-ZWKOTPCHSA-N 1 2 350.422 2.510 20 30 FFEDLO CC(=O)[C@](C#N)(CC[NH+]1CCN(c2ccccc2O)CC1)c1ccccc1 ZINC000877948224 1014781777 /nfs/dbraw/zinc/78/17/77/1014781777.db2.gz PKGUHQYZMDZKCE-JOCHJYFZSA-N 1 2 363.461 2.955 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnc(C3CC3)o2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088629081 982020607 /nfs/dbraw/zinc/02/06/07/982020607.db2.gz CFYPTSYBWPHHEM-DYVFJYSZSA-N 1 2 350.422 2.816 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnc(C3CC3)o2)CC[N@H+]1Cc1ccccc1C#N ZINC001088629081 982020616 /nfs/dbraw/zinc/02/06/16/982020616.db2.gz CFYPTSYBWPHHEM-DYVFJYSZSA-N 1 2 350.422 2.816 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC3(F)F)[C@@H]2C1 ZINC001075930787 982123238 /nfs/dbraw/zinc/12/32/38/982123238.db2.gz QHTZVIFAHPJCHH-IAOVAPTHSA-N 1 2 363.383 2.775 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC3(F)F)[C@@H]2C1 ZINC001075930787 982123242 /nfs/dbraw/zinc/12/32/42/982123242.db2.gz QHTZVIFAHPJCHH-IAOVAPTHSA-N 1 2 363.383 2.775 20 30 FFEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c(-c2cccnc2)n1 ZINC000897591899 982360335 /nfs/dbraw/zinc/36/03/35/982360335.db2.gz QFYKQUOQQAARDY-FQEVSTJZSA-N 1 2 359.433 2.927 20 30 FFEDLO Cn1cc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c(-c2cccnc2)n1 ZINC000897591899 982360340 /nfs/dbraw/zinc/36/03/40/982360340.db2.gz QFYKQUOQQAARDY-FQEVSTJZSA-N 1 2 359.433 2.927 20 30 FFEDLO NC(=NOCC1CCC(F)(F)CC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000842025532 982618149 /nfs/dbraw/zinc/61/81/49/982618149.db2.gz XVVWYOZTSDDSHW-UHFFFAOYSA-N 1 2 367.440 2.981 20 30 FFEDLO CCCc1n[nH]cc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088690386 982752858 /nfs/dbraw/zinc/75/28/58/982752858.db2.gz BRORTNVDZCBDCU-ACJLOTCBSA-N 1 2 369.444 2.766 20 30 FFEDLO CCCc1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088690386 982752862 /nfs/dbraw/zinc/75/28/62/982752862.db2.gz BRORTNVDZCBDCU-ACJLOTCBSA-N 1 2 369.444 2.766 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2n[nH]c3c2CCCC3)CC[N@@H+]1Cc1ccccc1C#N ZINC001088698125 982951685 /nfs/dbraw/zinc/95/16/85/982951685.db2.gz DAZRVUGEHQOTLB-KDOFPFPSSA-N 1 2 363.465 2.553 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2n[nH]c3c2CCCC3)CC[N@H+]1Cc1ccccc1C#N ZINC001088698125 982951689 /nfs/dbraw/zinc/95/16/89/982951689.db2.gz DAZRVUGEHQOTLB-KDOFPFPSSA-N 1 2 363.465 2.553 20 30 FFEDLO C=CCOc1ccc(C[N@@H+](Cc2nnc3c(=O)[nH]ccn23)C(C)(C)C)cc1 ZINC000878192708 1014908175 /nfs/dbraw/zinc/90/81/75/1014908175.db2.gz JJXMHHVCQRKNMM-UHFFFAOYSA-N 1 2 367.453 2.783 20 30 FFEDLO C=CCOc1ccc(C[N@H+](Cc2nnc3c(=O)[nH]ccn23)C(C)(C)C)cc1 ZINC000878192708 1014908184 /nfs/dbraw/zinc/90/81/84/1014908184.db2.gz JJXMHHVCQRKNMM-UHFFFAOYSA-N 1 2 367.453 2.783 20 30 FFEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)cc1 ZINC000127032821 1014971329 /nfs/dbraw/zinc/97/13/29/1014971329.db2.gz DHCFLJMVVZYJON-HXUWFJFHSA-N 1 2 355.482 2.706 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000964106721 1014975761 /nfs/dbraw/zinc/97/57/61/1014975761.db2.gz IDOSCDOWDXKWBU-INMHGKMJSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000964106721 1014975770 /nfs/dbraw/zinc/97/57/70/1014975770.db2.gz IDOSCDOWDXKWBU-INMHGKMJSA-N 1 2 370.497 2.613 20 30 FFEDLO CCOCc1ccc(CNC(=O)CO[NH+]=C(N)c2ccc(F)c(C)c2)cc1 ZINC000151296348 984247242 /nfs/dbraw/zinc/24/72/42/984247242.db2.gz RREHMBIZTRPLQY-UHFFFAOYSA-N 1 2 373.428 2.624 20 30 FFEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000878387897 1015020562 /nfs/dbraw/zinc/02/05/62/1015020562.db2.gz FWSUYLRLSXKGRN-RDJZCZTQSA-N 1 2 374.485 2.836 20 30 FFEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000878387897 1015020575 /nfs/dbraw/zinc/02/05/75/1015020575.db2.gz FWSUYLRLSXKGRN-RDJZCZTQSA-N 1 2 374.485 2.836 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C[C@H](O)c1ccc(C)cc1 ZINC000156802981 984404805 /nfs/dbraw/zinc/40/48/05/984404805.db2.gz RDKLPULJCZZBPY-FQEVSTJZSA-N 1 2 372.490 2.696 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C[C@H](O)c1ccc(C)cc1 ZINC000156802981 984404808 /nfs/dbraw/zinc/40/48/08/984404808.db2.gz RDKLPULJCZZBPY-FQEVSTJZSA-N 1 2 372.490 2.696 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CC)(Nc2cc[nH+]c(C)n2)CC1 ZINC001066846267 1015035839 /nfs/dbraw/zinc/03/58/39/1015035839.db2.gz MFVMKZMIYWKOJV-SJORKVTESA-N 1 2 358.486 2.949 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001112110342 984641335 /nfs/dbraw/zinc/64/13/35/984641335.db2.gz KMHAZCCDHUOEPE-HZPDHXFCSA-N 1 2 370.419 2.665 20 30 FFEDLO Cc1ccc(C#N)c(NC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001060319258 984684602 /nfs/dbraw/zinc/68/46/02/984684602.db2.gz QDYCEMYCRPGSAN-GVDBMIGSSA-N 1 2 364.453 2.582 20 30 FFEDLO Cc1ccc(C#N)c(NC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC001060319258 984684604 /nfs/dbraw/zinc/68/46/04/984684604.db2.gz QDYCEMYCRPGSAN-GVDBMIGSSA-N 1 2 364.453 2.582 20 30 FFEDLO Cc1cccc2c1CC[N@H+](CN1CC(=O)N(Cc3ccccc3C#N)C1=O)C2 ZINC000170903725 985170916 /nfs/dbraw/zinc/17/09/16/985170916.db2.gz RAUGFUFWRABKSJ-UHFFFAOYSA-N 1 2 374.444 2.647 20 30 FFEDLO Cc1cccc2c1CC[N@@H+](CN1CC(=O)N(Cc3ccccc3C#N)C1=O)C2 ZINC000170903725 985170925 /nfs/dbraw/zinc/17/09/25/985170925.db2.gz RAUGFUFWRABKSJ-UHFFFAOYSA-N 1 2 374.444 2.647 20 30 FFEDLO Cc1cccc2c1CC[N@H+](CN1C(=O)N[C@@](C)(c3cccc(C#N)c3)C1=O)C2 ZINC000170903855 985171175 /nfs/dbraw/zinc/17/11/75/985171175.db2.gz YUDGNKUNZCZTBY-QFIPXVFZSA-N 1 2 374.444 2.650 20 30 FFEDLO Cc1cccc2c1CC[N@@H+](CN1C(=O)N[C@@](C)(c3cccc(C#N)c3)C1=O)C2 ZINC000170903855 985171181 /nfs/dbraw/zinc/17/11/81/985171181.db2.gz YUDGNKUNZCZTBY-QFIPXVFZSA-N 1 2 374.444 2.650 20 30 FFEDLO CCn1nc(C)cc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088877387 985266317 /nfs/dbraw/zinc/26/63/17/985266317.db2.gz NVHJCNRABUJNFW-KDOFPFPSSA-N 1 2 369.444 2.615 20 30 FFEDLO CCn1nc(C)cc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088877387 985266327 /nfs/dbraw/zinc/26/63/27/985266327.db2.gz NVHJCNRABUJNFW-KDOFPFPSSA-N 1 2 369.444 2.615 20 30 FFEDLO CCc1oncc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088893263 985337459 /nfs/dbraw/zinc/33/74/59/985337459.db2.gz QFHKBOFSUXXRSR-PXAZEXFGSA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1oncc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088893263 985337474 /nfs/dbraw/zinc/33/74/74/985337474.db2.gz QFHKBOFSUXXRSR-PXAZEXFGSA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1oncc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088893232 985337626 /nfs/dbraw/zinc/33/76/26/985337626.db2.gz PFUOVVBIFLOHGN-PXAZEXFGSA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1oncc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088893232 985337646 /nfs/dbraw/zinc/33/76/46/985337646.db2.gz PFUOVVBIFLOHGN-PXAZEXFGSA-N 1 2 356.401 2.641 20 30 FFEDLO C[C@@H](C[NH+]1CCN(c2cccc(F)c2C#N)CC1)NC(=O)OC(C)(C)C ZINC000785437315 985338172 /nfs/dbraw/zinc/33/81/72/985338172.db2.gz FAGVKGHTMBNVQC-AWEZNQCLSA-N 1 2 362.449 2.733 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccncc2Cl)[C@@H]1C ZINC001088914277 985438188 /nfs/dbraw/zinc/43/81/88/985438188.db2.gz UDUMZVKPTXCRCJ-KCMWZYNZSA-N 1 2 363.889 2.795 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccncc2Cl)[C@@H]1C ZINC001088914277 985438190 /nfs/dbraw/zinc/43/81/90/985438190.db2.gz UDUMZVKPTXCRCJ-KCMWZYNZSA-N 1 2 363.889 2.795 20 30 FFEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168421187 985510019 /nfs/dbraw/zinc/51/00/19/985510019.db2.gz PGXKXAVHUXACHN-PMACEKPBSA-N 1 2 352.409 2.929 20 30 FFEDLO N#Cc1cnn(-c2ccc(F)cc2)c1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212352144 985513760 /nfs/dbraw/zinc/51/37/60/985513760.db2.gz LEMNMAXCLUQJKT-UHFFFAOYSA-N 1 2 364.384 2.858 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(Cl)n3)[C@@H]2C)cn1 ZINC001088990873 985788729 /nfs/dbraw/zinc/78/87/29/985788729.db2.gz UZCDGNJVIQOFPZ-DYVFJYSZSA-N 1 2 354.841 2.504 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(Cl)n3)[C@@H]2C)cn1 ZINC001088990873 985788736 /nfs/dbraw/zinc/78/87/36/985788736.db2.gz UZCDGNJVIQOFPZ-DYVFJYSZSA-N 1 2 354.841 2.504 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2[nH]nc3ccccc32)[C@H]1C ZINC001089018111 985946793 /nfs/dbraw/zinc/94/67/93/985946793.db2.gz PNZDSHHULKEFLF-YPMHNXCESA-N 1 2 363.259 2.664 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3ccccc32)[C@H]1C ZINC001089018111 985946796 /nfs/dbraw/zinc/94/67/96/985946796.db2.gz PNZDSHHULKEFLF-YPMHNXCESA-N 1 2 363.259 2.664 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(F)c1 ZINC001032673346 986417228 /nfs/dbraw/zinc/41/72/28/986417228.db2.gz LKQRCPORSZPTJV-MUGJNUQGSA-N 1 2 358.457 2.982 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(F)c1 ZINC001032673346 986417229 /nfs/dbraw/zinc/41/72/29/986417229.db2.gz LKQRCPORSZPTJV-MUGJNUQGSA-N 1 2 358.457 2.982 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C3)c1 ZINC001098778664 986604358 /nfs/dbraw/zinc/60/43/58/986604358.db2.gz QQFATURNSVETBR-MCJUKFELSA-N 1 2 353.253 2.790 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2C[N@H+](C/C(Cl)=C/Cl)C3)c1 ZINC001098778664 986604359 /nfs/dbraw/zinc/60/43/59/986604359.db2.gz QQFATURNSVETBR-MCJUKFELSA-N 1 2 353.253 2.790 20 30 FFEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000914248522 987397515 /nfs/dbraw/zinc/39/75/15/987397515.db2.gz SZVPTBFWTXLOEL-AUUYWEPGSA-N 1 2 372.494 2.785 20 30 FFEDLO CN(c1cccc(F)c1C#N)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001061284128 988143642 /nfs/dbraw/zinc/14/36/42/988143642.db2.gz VZVBLAQMVGKSGA-RBSFLKMASA-N 1 2 367.428 2.651 20 30 FFEDLO CN(c1cccc(F)c1C#N)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001061284128 988143647 /nfs/dbraw/zinc/14/36/47/988143647.db2.gz VZVBLAQMVGKSGA-RBSFLKMASA-N 1 2 367.428 2.651 20 30 FFEDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccccc1F ZINC000763232887 989247586 /nfs/dbraw/zinc/24/75/86/989247586.db2.gz IMVGCAAPXMCHFC-OALUTQOASA-N 1 2 350.397 2.843 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)nc1 ZINC000766036893 989328024 /nfs/dbraw/zinc/32/80/24/989328024.db2.gz GKTXNAGTKDPKTR-RTBURBONSA-N 1 2 369.852 2.518 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)nc1 ZINC000766036893 989328034 /nfs/dbraw/zinc/32/80/34/989328034.db2.gz GKTXNAGTKDPKTR-RTBURBONSA-N 1 2 369.852 2.518 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000766041263 989363346 /nfs/dbraw/zinc/36/33/46/989363346.db2.gz VATAMQMGGOUIAO-RBUKOAKNSA-N 1 2 369.852 2.518 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000766041263 989363354 /nfs/dbraw/zinc/36/33/54/989363354.db2.gz VATAMQMGGOUIAO-RBUKOAKNSA-N 1 2 369.852 2.518 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000674202543 989600365 /nfs/dbraw/zinc/60/03/65/989600365.db2.gz BTYQDHQMVGSVHI-KRWDZBQOSA-N 1 2 368.437 2.640 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001033954209 989851017 /nfs/dbraw/zinc/85/10/17/989851017.db2.gz MGUQBNJMSWFIFH-NUJGCVRESA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001033954209 989851027 /nfs/dbraw/zinc/85/10/27/989851027.db2.gz MGUQBNJMSWFIFH-NUJGCVRESA-N 1 2 361.486 2.812 20 30 FFEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001108158686 990256751 /nfs/dbraw/zinc/25/67/51/990256751.db2.gz HZBUQKVZNWWTHE-PBFPGSCMSA-N 1 2 354.903 2.898 20 30 FFEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001108158686 990256759 /nfs/dbraw/zinc/25/67/59/990256759.db2.gz HZBUQKVZNWWTHE-PBFPGSCMSA-N 1 2 354.903 2.898 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2CN(C(=O)CCc2c[nH]c[nH+]2)C3)CC1 ZINC001008247369 1015549800 /nfs/dbraw/zinc/54/98/00/1015549800.db2.gz LBQCNAPJFWOQRV-UWJYYQICSA-N 1 2 370.497 2.586 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2CN(C(=O)CCc2c[nH+]c[nH]2)C3)CC1 ZINC001008247369 1015549808 /nfs/dbraw/zinc/54/98/08/1015549808.db2.gz LBQCNAPJFWOQRV-UWJYYQICSA-N 1 2 370.497 2.586 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2nc(C)c(C)o2)cc1 ZINC001034825464 990290704 /nfs/dbraw/zinc/29/07/04/990290704.db2.gz FDLREXAMHYJRFF-MOPGFXCFSA-N 1 2 369.465 2.789 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH2+][C@@H](C)c2ncccn2)cc1 ZINC001034827661 990293465 /nfs/dbraw/zinc/29/34/65/990293465.db2.gz FACMXIAOINGHME-IPELMVKDSA-N 1 2 366.465 2.535 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001008291266 1015564856 /nfs/dbraw/zinc/56/48/56/1015564856.db2.gz IWMXSMFEIJASSI-ZSDSOXJFSA-N 1 2 370.497 2.539 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(CC)n1 ZINC001062044365 990669761 /nfs/dbraw/zinc/66/97/61/990669761.db2.gz ASPLAOZVCQFXJX-CLWJZODNSA-N 1 2 370.497 2.508 20 30 FFEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCC[C@@H](C#N)C3)CC2)cc1 ZINC000920544211 990872750 /nfs/dbraw/zinc/87/27/50/990872750.db2.gz CAWJIPKILNOYDO-INIZCTEOSA-N 1 2 355.486 2.667 20 30 FFEDLO CC[C@@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212251224 990927193 /nfs/dbraw/zinc/92/71/93/990927193.db2.gz SPKWCLKLBUSSKF-CEXWTWQISA-N 1 2 362.420 2.645 20 30 FFEDLO CC[C@@H](c1ccc(F)cc1F)[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212251224 990927201 /nfs/dbraw/zinc/92/72/01/990927201.db2.gz SPKWCLKLBUSSKF-CEXWTWQISA-N 1 2 362.420 2.645 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001063233393 991405141 /nfs/dbraw/zinc/40/51/41/991405141.db2.gz NPURXUNXLZNKBA-KURKYZTESA-N 1 2 370.497 2.729 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001063300377 991432577 /nfs/dbraw/zinc/43/25/77/991432577.db2.gz OGEWVCDBRFKTMG-AOIWGVFYSA-N 1 2 358.486 2.807 20 30 FFEDLO N#Cc1cccnc1NCC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001063303015 991436302 /nfs/dbraw/zinc/43/63/02/991436302.db2.gz JADFNIOTDSZCHT-USXIJHARSA-N 1 2 364.453 2.521 20 30 FFEDLO N#Cc1cccnc1NCC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001063303015 991436309 /nfs/dbraw/zinc/43/63/09/991436309.db2.gz JADFNIOTDSZCHT-USXIJHARSA-N 1 2 364.453 2.521 20 30 FFEDLO C#CC[N@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000068522423 991458779 /nfs/dbraw/zinc/45/87/79/991458779.db2.gz QEHKTLALHATBCG-HXUWFJFHSA-N 1 2 355.409 2.903 20 30 FFEDLO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000068522423 991458781 /nfs/dbraw/zinc/45/87/81/991458781.db2.gz QEHKTLALHATBCG-HXUWFJFHSA-N 1 2 355.409 2.903 20 30 FFEDLO COCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)CCC1 ZINC001110825688 1015688085 /nfs/dbraw/zinc/68/80/85/1015688085.db2.gz UQFAXXJQLPDJAO-AQNXPRMDSA-N 1 2 370.468 2.715 20 30 FFEDLO COCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)CCC1 ZINC001110825688 1015688091 /nfs/dbraw/zinc/68/80/91/1015688091.db2.gz UQFAXXJQLPDJAO-AQNXPRMDSA-N 1 2 370.468 2.715 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3nocc3C)C[C@H]2C)cc1 ZINC001079977710 992637660 /nfs/dbraw/zinc/63/76/60/992637660.db2.gz GJDAHLAXQNAKCE-RDTXWAMCSA-N 1 2 355.438 2.798 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3nocc3C)C[C@H]2C)cc1 ZINC001079977710 992637666 /nfs/dbraw/zinc/63/76/66/992637666.db2.gz GJDAHLAXQNAKCE-RDTXWAMCSA-N 1 2 355.438 2.798 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]2C)cc1 ZINC001079977626 992637965 /nfs/dbraw/zinc/63/79/65/992637965.db2.gz BTNWEIXENFTSRX-RDTXWAMCSA-N 1 2 355.438 2.798 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]2C)cc1 ZINC001079977626 992637969 /nfs/dbraw/zinc/63/79/69/992637969.db2.gz BTNWEIXENFTSRX-RDTXWAMCSA-N 1 2 355.438 2.798 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC001080070284 992704629 /nfs/dbraw/zinc/70/46/29/992704629.db2.gz ZIWMJONDCOAZTD-IUODEOHRSA-N 1 2 367.287 2.962 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC001080070284 992704640 /nfs/dbraw/zinc/70/46/40/992704640.db2.gz ZIWMJONDCOAZTD-IUODEOHRSA-N 1 2 367.287 2.962 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001008845720 1015729455 /nfs/dbraw/zinc/72/94/55/1015729455.db2.gz LLHXHXVFDVSRGI-BQFCYCMXSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001008845720 1015729460 /nfs/dbraw/zinc/72/94/60/1015729460.db2.gz LLHXHXVFDVSRGI-BQFCYCMXSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(F)ccc2F)C1 ZINC001032040681 992738815 /nfs/dbraw/zinc/73/88/15/992738815.db2.gz QCVGDLVFWRZYNG-HKUYNNGSSA-N 1 2 364.436 2.884 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001080335362 992933502 /nfs/dbraw/zinc/93/35/02/992933502.db2.gz BXKWDZOTQWIMRA-UHNFBRDESA-N 1 2 367.262 2.811 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001080335362 992933512 /nfs/dbraw/zinc/93/35/12/992933512.db2.gz BXKWDZOTQWIMRA-UHNFBRDESA-N 1 2 367.262 2.811 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001080343479 992973761 /nfs/dbraw/zinc/97/37/61/992973761.db2.gz HPXJDEWSPCABIT-QMTHXVAHSA-N 1 2 352.276 2.851 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001080343479 992973764 /nfs/dbraw/zinc/97/37/64/992973764.db2.gz HPXJDEWSPCABIT-QMTHXVAHSA-N 1 2 352.276 2.851 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1conc1C1CC1 ZINC001080415563 993041144 /nfs/dbraw/zinc/04/11/44/993041144.db2.gz YJCIACISYBTWHO-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1conc1C1CC1 ZINC001080415563 993041148 /nfs/dbraw/zinc/04/11/48/993041148.db2.gz YJCIACISYBTWHO-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001080499462 993084209 /nfs/dbraw/zinc/08/42/09/993084209.db2.gz YXRDBUKSNIMIAL-SJKOYZFVSA-N 1 2 363.299 2.747 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001080499462 993084214 /nfs/dbraw/zinc/08/42/14/993084214.db2.gz YXRDBUKSNIMIAL-SJKOYZFVSA-N 1 2 363.299 2.747 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1cnoc1C1CC1 ZINC001080706065 993296183 /nfs/dbraw/zinc/29/61/83/993296183.db2.gz ACVCWJAWYRHHKK-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1cnoc1C1CC1 ZINC001080706065 993296191 /nfs/dbraw/zinc/29/61/91/993296191.db2.gz ACVCWJAWYRHHKK-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2C)o1 ZINC001080724615 993331887 /nfs/dbraw/zinc/33/18/87/993331887.db2.gz AWCINDDNQNCZIK-SJKOYZFVSA-N 1 2 370.428 2.807 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2C)o1 ZINC001080724615 993331891 /nfs/dbraw/zinc/33/18/91/993331891.db2.gz AWCINDDNQNCZIK-SJKOYZFVSA-N 1 2 370.428 2.807 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C1=CCCCCC1 ZINC001081591209 993901149 /nfs/dbraw/zinc/90/11/49/993901149.db2.gz ICPRUUVDFASTNA-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C1=CCCCCC1 ZINC001081591209 993901156 /nfs/dbraw/zinc/90/11/56/993901156.db2.gz ICPRUUVDFASTNA-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[C@@H]1CC=CCC1 ZINC001082029216 994127486 /nfs/dbraw/zinc/12/74/86/994127486.db2.gz MSDJAGWNYQZJSF-CDHQVMDDSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[C@@H]1CC=CCC1 ZINC001082029216 994127497 /nfs/dbraw/zinc/12/74/97/994127497.db2.gz MSDJAGWNYQZJSF-CDHQVMDDSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccc(F)c(C)c1 ZINC001082085069 994167811 /nfs/dbraw/zinc/16/78/11/994167811.db2.gz QDGCJSWPAHJQTL-NHCUHLMSSA-N 1 2 366.436 2.615 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccc(F)c(C)c1 ZINC001082085069 994167818 /nfs/dbraw/zinc/16/78/18/994167818.db2.gz QDGCJSWPAHJQTL-NHCUHLMSSA-N 1 2 366.436 2.615 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H](N2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000808773659 994254494 /nfs/dbraw/zinc/25/44/94/994254494.db2.gz URXNMYQKRDTLCB-LJQANCHMSA-N 1 2 370.497 2.685 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H](C)c1ccc(C)o1 ZINC001082213222 994279939 /nfs/dbraw/zinc/27/99/39/994279939.db2.gz QNQKGUQMTJOEMM-FBBABVLZSA-N 1 2 366.461 2.559 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H](C)c1ccc(C)o1 ZINC001082213222 994279952 /nfs/dbraw/zinc/27/99/52/994279952.db2.gz QNQKGUQMTJOEMM-FBBABVLZSA-N 1 2 366.461 2.559 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[C@H](C)CC1 ZINC001082334761 994380452 /nfs/dbraw/zinc/38/04/52/994380452.db2.gz FBPHTJCXNUCNMQ-CWJKEVGVSA-N 1 2 354.494 2.680 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[C@H](C)CC1 ZINC001082334761 994380460 /nfs/dbraw/zinc/38/04/60/994380460.db2.gz FBPHTJCXNUCNMQ-CWJKEVGVSA-N 1 2 354.494 2.680 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)NC[C@@H](c2ccccc2)C(C)C)cc1 ZINC000809994493 994661215 /nfs/dbraw/zinc/66/12/15/994661215.db2.gz ZNCKPXFRGVCGPJ-LJQANCHMSA-N 1 2 369.465 2.888 20 30 FFEDLO C=CCn1c(Cc2ccccc2)nn(CN2CCn3c[nH+]cc3C2)c1=S ZINC000811788914 995261485 /nfs/dbraw/zinc/26/14/85/995261485.db2.gz UZLSYYYUJIXEOY-UHFFFAOYSA-N 1 2 366.494 2.861 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2cc(OC)cc(OC)c2)n1 ZINC000812762759 995518166 /nfs/dbraw/zinc/51/81/66/995518166.db2.gz JJAHPSUAXJHKQD-IBGZPJMESA-N 1 2 365.433 2.802 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2cc(OC)cc(OC)c2)n1 ZINC000812762759 995518175 /nfs/dbraw/zinc/51/81/75/995518175.db2.gz JJAHPSUAXJHKQD-IBGZPJMESA-N 1 2 365.433 2.802 20 30 FFEDLO C[C@@H]1CN(C(=O)c2cccc3[nH]cnc32)C[C@H]1[NH2+]Cc1ccccc1C#N ZINC001082819314 995570446 /nfs/dbraw/zinc/57/04/46/995570446.db2.gz MSACEPPTXWJKPS-AUUYWEPGSA-N 1 2 359.433 2.685 20 30 FFEDLO N#Cc1cccc(C[N@H+]2C[C@H]3OCCN(C(=O)c4ccoc4Cl)[C@H]3C2)c1 ZINC001083064201 996058954 /nfs/dbraw/zinc/05/89/54/996058954.db2.gz XTQJLBNAJRHBJT-DLBZAZTESA-N 1 2 371.824 2.530 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3OCCN(C(=O)c4ccoc4Cl)[C@H]3C2)c1 ZINC001083064201 996058957 /nfs/dbraw/zinc/05/89/57/996058957.db2.gz XTQJLBNAJRHBJT-DLBZAZTESA-N 1 2 371.824 2.530 20 30 FFEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4cncc(C)c4)C[C@@H]32)CC1 ZINC001083183622 996172378 /nfs/dbraw/zinc/17/23/78/996172378.db2.gz NFJGJMVXJSRLRD-VQTJNVASSA-N 1 2 355.482 2.548 20 30 FFEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@H+](Cc4cncc(C)c4)C[C@@H]32)CC1 ZINC001083183622 996172380 /nfs/dbraw/zinc/17/23/80/996172380.db2.gz NFJGJMVXJSRLRD-VQTJNVASSA-N 1 2 355.482 2.548 20 30 FFEDLO COc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1C#N ZINC000880875761 1016014297 /nfs/dbraw/zinc/01/42/97/1016014297.db2.gz CLDQRTFKFTVIBS-HNNXBMFYSA-N 1 2 365.437 2.873 20 30 FFEDLO Cc1ccncc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084250478 996355287 /nfs/dbraw/zinc/35/52/87/996355287.db2.gz IEKUHLAFOTUVHE-OXQOHEQNSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1ccncc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084250478 996355290 /nfs/dbraw/zinc/35/52/90/996355290.db2.gz IEKUHLAFOTUVHE-OXQOHEQNSA-N 1 2 364.424 2.747 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)c4cncc(F)c4)[C@@H]3C2)c1 ZINC001084274258 996420810 /nfs/dbraw/zinc/42/08/10/996420810.db2.gz DTFFYYPUCROPGH-AUUYWEPGSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cncc(F)c4)[C@@H]3C2)c1 ZINC001084274258 996420814 /nfs/dbraw/zinc/42/08/14/996420814.db2.gz DTFFYYPUCROPGH-AUUYWEPGSA-N 1 2 368.387 2.578 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3c(C)nc4ccccc43)[C@@H]2C1 ZINC001084338056 996467687 /nfs/dbraw/zinc/46/76/87/996467687.db2.gz CCFPHTSESFPGGA-CRAIPNDOSA-N 1 2 358.873 2.630 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c(C)nc4ccccc43)[C@@H]2C1 ZINC001084338056 996467688 /nfs/dbraw/zinc/46/76/88/996467688.db2.gz CCFPHTSESFPGGA-CRAIPNDOSA-N 1 2 358.873 2.630 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C4(C5CC5)CC4)[C@@H]3C2)c(F)c1 ZINC001084434113 996586964 /nfs/dbraw/zinc/58/69/64/996586964.db2.gz WWNSDISUTYIROC-VQIMIIECSA-N 1 2 353.441 2.920 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C4(C5CC5)CC4)[C@@H]3C2)c(F)c1 ZINC001084434113 996586966 /nfs/dbraw/zinc/58/69/66/996586966.db2.gz WWNSDISUTYIROC-VQIMIIECSA-N 1 2 353.441 2.920 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N(C)c4ccccc4)C[C@H]32)C1 ZINC001084645962 996757882 /nfs/dbraw/zinc/75/78/82/996757882.db2.gz MZISRUMENMPBIL-IEBWSBKVSA-N 1 2 367.493 2.538 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](CC(=O)N(C)c4ccccc4)C[C@H]32)C1 ZINC001084645962 996757889 /nfs/dbraw/zinc/75/78/89/996757889.db2.gz MZISRUMENMPBIL-IEBWSBKVSA-N 1 2 367.493 2.538 20 30 FFEDLO CC#CC[NH2+]Cc1cn(Cc2cc(=O)oc3cc(CC)c(Cl)cc23)nn1 ZINC000881023650 1016087031 /nfs/dbraw/zinc/08/70/31/1016087031.db2.gz KYPBWUJAJWHMNG-UHFFFAOYSA-N 1 2 370.840 2.762 20 30 FFEDLO CCOc1cc(C[NH+]2CCC(C#N)(C(=O)OC)CC2)ccc1OC(F)F ZINC000824861320 997112551 /nfs/dbraw/zinc/11/25/51/997112551.db2.gz KWDMVMZENSKBJW-UHFFFAOYSA-N 1 2 368.380 2.965 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ncccc4F)[C@@H]3C2)s1 ZINC001084739379 997141543 /nfs/dbraw/zinc/14/15/43/997141543.db2.gz HVAXKZYETTUWOA-MLGOLLRUSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ncccc4F)[C@@H]3C2)s1 ZINC001084739379 997141547 /nfs/dbraw/zinc/14/15/47/997141547.db2.gz HVAXKZYETTUWOA-MLGOLLRUSA-N 1 2 356.426 2.500 20 30 FFEDLO O=C(c1ccc(Cl)cn1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084786910 997356321 /nfs/dbraw/zinc/35/63/21/997356321.db2.gz OKSJVMLAQBZJLA-YLJYHZDGSA-N 1 2 365.864 2.933 20 30 FFEDLO O=C(c1ccc(Cl)cn1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084786910 997356334 /nfs/dbraw/zinc/35/63/34/997356334.db2.gz OKSJVMLAQBZJLA-YLJYHZDGSA-N 1 2 365.864 2.933 20 30 FFEDLO N#Cc1c(NC(=O)[C@H]2[C@H](O)CC[N@@H+]2Cc2ccccc2)sc2c1CCC2 ZINC001143659419 997491902 /nfs/dbraw/zinc/49/19/02/997491902.db2.gz WGBKXSXCGADZFD-SJLPKXTDSA-N 1 2 367.474 2.682 20 30 FFEDLO N#Cc1c(NC(=O)[C@H]2[C@H](O)CC[N@H+]2Cc2ccccc2)sc2c1CCC2 ZINC001143659419 997491906 /nfs/dbraw/zinc/49/19/06/997491906.db2.gz WGBKXSXCGADZFD-SJLPKXTDSA-N 1 2 367.474 2.682 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)c([N+](=O)[O-])c1 ZINC000844321347 997807124 /nfs/dbraw/zinc/80/71/24/997807124.db2.gz CYTVQBTYULQMSG-UHFFFAOYSA-N 1 2 373.800 2.953 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3csc(-c4ccco4)n3)[C@H]2C1 ZINC001084904922 998000828 /nfs/dbraw/zinc/00/08/28/998000828.db2.gz KATMEWGUSMDUPO-LZWOXQAQSA-N 1 2 370.478 2.986 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@@H+](Cc3csc(-c4ccco4)n3)[C@H]2C1 ZINC001084904922 998000835 /nfs/dbraw/zinc/00/08/35/998000835.db2.gz KATMEWGUSMDUPO-LZWOXQAQSA-N 1 2 370.478 2.986 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccncc3C)C[C@@H]21 ZINC001084934809 998204967 /nfs/dbraw/zinc/20/49/67/998204967.db2.gz DMHBDQDSIMEEGH-ZBFHGGJFSA-N 1 2 364.287 2.835 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccncc3C)C[C@@H]21 ZINC001084934809 998204974 /nfs/dbraw/zinc/20/49/74/998204974.db2.gz DMHBDQDSIMEEGH-ZBFHGGJFSA-N 1 2 364.287 2.835 20 30 FFEDLO CCCc1nc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)cs1 ZINC001084937843 998224489 /nfs/dbraw/zinc/22/44/89/998224489.db2.gz IAHICYBUFBHHOE-AEFFLSMTSA-N 1 2 357.523 2.932 20 30 FFEDLO CCCc1nc(C[N@H+]2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)cs1 ZINC001084937843 998224503 /nfs/dbraw/zinc/22/45/03/998224503.db2.gz IAHICYBUFBHHOE-AEFFLSMTSA-N 1 2 357.523 2.932 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001056799090 1016193371 /nfs/dbraw/zinc/19/33/71/1016193371.db2.gz LGTWCEQYBDLCDT-RYRKJORJSA-N 1 2 358.486 2.902 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccns3)C[C@@H]21 ZINC001084951925 998296871 /nfs/dbraw/zinc/29/68/71/998296871.db2.gz ISLCCXXTANQUMQ-PBHICJAKSA-N 1 2 352.463 2.751 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccns3)C[C@@H]21 ZINC001084951925 998296878 /nfs/dbraw/zinc/29/68/78/998296878.db2.gz ISLCCXXTANQUMQ-PBHICJAKSA-N 1 2 352.463 2.751 20 30 FFEDLO C=CCNC(=O)[C@H](C)OC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000731916462 998336126 /nfs/dbraw/zinc/33/61/26/998336126.db2.gz OOLDHEYMIQIUAN-SJORKVTESA-N 1 2 358.482 2.564 20 30 FFEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cc[nH]c1C(=O)OCC)CCO2 ZINC001144332768 998353856 /nfs/dbraw/zinc/35/38/56/998353856.db2.gz RHMXWZJOAUWEFZ-FXAWDEMLSA-N 1 2 362.470 2.765 20 30 FFEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cc[nH]c1C(=O)OCC)CCO2 ZINC001144332768 998353860 /nfs/dbraw/zinc/35/38/60/998353860.db2.gz RHMXWZJOAUWEFZ-FXAWDEMLSA-N 1 2 362.470 2.765 20 30 FFEDLO C[C@@H](CC(=O)O[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)n1cc[nH+]c1 ZINC000845282508 998463905 /nfs/dbraw/zinc/46/39/05/998463905.db2.gz WZBVYKXDPYXYOJ-IOSXPMGOSA-N 1 2 360.458 2.697 20 30 FFEDLO N#Cc1cccc(N2C[C@@]3(CCN(Cc4[nH+]cn5ccccc45)C3)CC2=O)c1 ZINC001144618648 998686187 /nfs/dbraw/zinc/68/61/87/998686187.db2.gz AJKVGOYRBWXPBM-QFIPXVFZSA-N 1 2 371.444 2.835 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3cn(C(C)C)nn3)[C@H]2C1 ZINC001085024091 998701284 /nfs/dbraw/zinc/70/12/84/998701284.db2.gz UHMWHTVTUUTCHL-IMFGXOCKSA-N 1 2 359.518 2.884 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(C(C)C)nn3)[C@H]2C1 ZINC001085024091 998701287 /nfs/dbraw/zinc/70/12/87/998701287.db2.gz UHMWHTVTUUTCHL-IMFGXOCKSA-N 1 2 359.518 2.884 20 30 FFEDLO C#Cc1cncc(C(=O)N2CC[C@H]3CC[N@@H+](C/C(Cl)=C\Cl)[C@H]3C2)c1 ZINC001085027920 998706540 /nfs/dbraw/zinc/70/65/40/998706540.db2.gz ZQQFIEKOFRFDRO-BKIUXRPUSA-N 1 2 364.276 2.918 20 30 FFEDLO C#Cc1cncc(C(=O)N2CC[C@H]3CC[N@H+](C/C(Cl)=C\Cl)[C@H]3C2)c1 ZINC001085027920 998706542 /nfs/dbraw/zinc/70/65/42/998706542.db2.gz ZQQFIEKOFRFDRO-BKIUXRPUSA-N 1 2 364.276 2.918 20 30 FFEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CNc1cccc(F)c1C#N ZINC001054436237 1016325952 /nfs/dbraw/zinc/32/59/52/1016325952.db2.gz IMADAGKIRYWDNV-HUUCEWRRSA-N 1 2 369.444 2.570 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085599986 999586387 /nfs/dbraw/zinc/58/63/87/999586387.db2.gz HEHIOGFJXUKWFR-OLMNPRSZSA-N 1 2 359.495 2.634 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085599986 999586390 /nfs/dbraw/zinc/58/63/90/999586390.db2.gz HEHIOGFJXUKWFR-OLMNPRSZSA-N 1 2 359.495 2.634 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]2CN(C)C(=O)[C@]23C[C@H]2CCC3)cc1C#N ZINC001085735304 999620399 /nfs/dbraw/zinc/62/03/99/999620399.db2.gz DERFYUUVGQLIKX-LVCYWYKZSA-N 1 2 353.466 2.790 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]2CN(C)C(=O)[C@]23C[C@H]2CCC3)cc1C#N ZINC001085735304 999620401 /nfs/dbraw/zinc/62/04/01/999620401.db2.gz DERFYUUVGQLIKX-LVCYWYKZSA-N 1 2 353.466 2.790 20 30 FFEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N(CCC#N)c1cccc(C)c1C ZINC000745087826 999891445 /nfs/dbraw/zinc/89/14/45/999891445.db2.gz SBMCFRHBAUZOQJ-LJQANCHMSA-N 1 2 371.481 2.968 20 30 FFEDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N(CCC#N)c1cccc(C)c1C ZINC000745087826 999891447 /nfs/dbraw/zinc/89/14/47/999891447.db2.gz SBMCFRHBAUZOQJ-LJQANCHMSA-N 1 2 371.481 2.968 20 30 FFEDLO CC[N@H+](C)[C@H](C(=O)OCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000745098820 999892766 /nfs/dbraw/zinc/89/27/66/999892766.db2.gz WFSYVSNECMKILA-IBGZPJMESA-N 1 2 351.406 2.733 20 30 FFEDLO CC[N@@H+](C)[C@H](C(=O)OCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000745098820 999892768 /nfs/dbraw/zinc/89/27/68/999892768.db2.gz WFSYVSNECMKILA-IBGZPJMESA-N 1 2 351.406 2.733 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nc(C)cc1C(F)F)C2 ZINC001095468560 1016368937 /nfs/dbraw/zinc/36/89/37/1016368937.db2.gz RDUHGTYOCHCHPI-AGIUHOORSA-N 1 2 358.820 2.603 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nc(C)cc1C(F)F)C2 ZINC001095468560 1016368946 /nfs/dbraw/zinc/36/89/46/1016368946.db2.gz RDUHGTYOCHCHPI-AGIUHOORSA-N 1 2 358.820 2.603 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c(C)n1-c1ccc(C#N)cc1 ZINC000804333556 1000070172 /nfs/dbraw/zinc/07/01/72/1000070172.db2.gz LWZZHWMVQQVELW-QGZVFWFLSA-N 1 2 359.433 2.907 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000767813444 1000148528 /nfs/dbraw/zinc/14/85/28/1000148528.db2.gz BUMDGOJHGNCAGE-QGZVFWFLSA-N 1 2 352.438 2.521 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109019661 1000153947 /nfs/dbraw/zinc/15/39/47/1000153947.db2.gz JDRMHRLSAVRCTN-XCLNPWKQSA-N 1 2 355.482 2.841 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109019661 1000153948 /nfs/dbraw/zinc/15/39/48/1000153948.db2.gz JDRMHRLSAVRCTN-XCLNPWKQSA-N 1 2 355.482 2.841 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109038016 1000157382 /nfs/dbraw/zinc/15/73/82/1000157382.db2.gz KCGOHPJLCYRNCI-KTGNWYGMSA-N 1 2 371.456 2.900 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109038016 1000157384 /nfs/dbraw/zinc/15/73/84/1000157384.db2.gz KCGOHPJLCYRNCI-KTGNWYGMSA-N 1 2 371.456 2.900 20 30 FFEDLO CC[C@@]1(C)CC(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1=O ZINC000767973007 1000165309 /nfs/dbraw/zinc/16/53/09/1000165309.db2.gz NMYYNXNYWOBLHW-FQEVSTJZSA-N 1 2 355.438 2.534 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cn(C)nc1C(F)F ZINC001109169356 1000178901 /nfs/dbraw/zinc/17/89/01/1000178901.db2.gz IFUATPKIKSJTLZ-PMPSAXMXSA-N 1 2 364.440 2.773 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cn(C)nc1C(F)F ZINC001109169356 1000178903 /nfs/dbraw/zinc/17/89/03/1000178903.db2.gz IFUATPKIKSJTLZ-PMPSAXMXSA-N 1 2 364.440 2.773 20 30 FFEDLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@@H+]1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171212150 1000203972 /nfs/dbraw/zinc/20/39/72/1000203972.db2.gz JQDQMHRNYUJDKZ-MGPUTAFESA-N 1 2 365.481 2.737 20 30 FFEDLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@H+]1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171212150 1000203975 /nfs/dbraw/zinc/20/39/75/1000203975.db2.gz JQDQMHRNYUJDKZ-MGPUTAFESA-N 1 2 365.481 2.737 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C1CC1 ZINC001109293832 1000239960 /nfs/dbraw/zinc/23/99/60/1000239960.db2.gz IBTAQXUJNZACCN-FYQPLNBISA-N 1 2 353.466 2.595 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C1CC1 ZINC001109293832 1000239967 /nfs/dbraw/zinc/23/99/67/1000239967.db2.gz IBTAQXUJNZACCN-FYQPLNBISA-N 1 2 353.466 2.595 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(F)C(F)(F)F)C3)c1 ZINC001109310662 1000256557 /nfs/dbraw/zinc/25/65/57/1000256557.db2.gz OTDZHPXMUUARGK-QPSCCSFWSA-N 1 2 355.335 2.680 20 30 FFEDLO N#Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(F)C(F)(F)F)C3)c1 ZINC001109310662 1000256565 /nfs/dbraw/zinc/25/65/65/1000256565.db2.gz OTDZHPXMUUARGK-QPSCCSFWSA-N 1 2 355.335 2.680 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)nn1 ZINC000846812259 1000447194 /nfs/dbraw/zinc/44/71/94/1000447194.db2.gz UIMXOFLMXNYBFX-DOTOQJQBSA-N 1 2 363.506 2.979 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)nn1 ZINC000846812259 1000447198 /nfs/dbraw/zinc/44/71/98/1000447198.db2.gz UIMXOFLMXNYBFX-DOTOQJQBSA-N 1 2 363.506 2.979 20 30 FFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1 ZINC000769978145 1000645886 /nfs/dbraw/zinc/64/58/86/1000645886.db2.gz UHVVCOWBHJWMMT-OAHLLOKOSA-N 1 2 365.433 2.840 20 30 FFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1 ZINC000769978145 1000645888 /nfs/dbraw/zinc/64/58/88/1000645888.db2.gz UHVVCOWBHJWMMT-OAHLLOKOSA-N 1 2 365.433 2.840 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C1CCC1 ZINC001109574426 1000663441 /nfs/dbraw/zinc/66/34/41/1000663441.db2.gz ZQXLTIRKKJOXRK-FUMNGEBKSA-N 1 2 353.466 2.595 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C1CCC1 ZINC001109574426 1000663444 /nfs/dbraw/zinc/66/34/44/1000663444.db2.gz ZQXLTIRKKJOXRK-FUMNGEBKSA-N 1 2 353.466 2.595 20 30 FFEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3c(Cl)cc(O)cc3Cl)C2)OCC1=O ZINC001276164663 1016436091 /nfs/dbraw/zinc/43/60/91/1016436091.db2.gz FRKZTVVPCNQTKH-QGZVFWFLSA-N 1 2 371.264 2.688 20 30 FFEDLO C=CCN1C[C@]2(CC[N@H+](Cc3c(Cl)cc(O)cc3Cl)C2)OCC1=O ZINC001276164663 1016436095 /nfs/dbraw/zinc/43/60/95/1016436095.db2.gz FRKZTVVPCNQTKH-QGZVFWFLSA-N 1 2 371.264 2.688 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(OC)nc1C ZINC001109631808 1000747554 /nfs/dbraw/zinc/74/75/54/1000747554.db2.gz OKGMNLNGYWLTQH-ZSGPHXLJSA-N 1 2 358.486 2.617 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(OC)nc1C ZINC001109631808 1000747559 /nfs/dbraw/zinc/74/75/59/1000747559.db2.gz OKGMNLNGYWLTQH-ZSGPHXLJSA-N 1 2 358.486 2.617 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001109632747 1000748895 /nfs/dbraw/zinc/74/88/95/1000748895.db2.gz BANTYMDFIQPKPS-LMCOJAPRSA-N 1 2 369.509 2.973 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001109632747 1000748902 /nfs/dbraw/zinc/74/89/02/1000748902.db2.gz BANTYMDFIQPKPS-LMCOJAPRSA-N 1 2 369.509 2.973 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)CCC)CC1 ZINC001109675812 1000816656 /nfs/dbraw/zinc/81/66/56/1000816656.db2.gz INJJMWDDVYBWIL-YSHGAJCASA-N 1 2 361.530 2.759 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)CCC)CC1 ZINC001109675812 1000816662 /nfs/dbraw/zinc/81/66/62/1000816662.db2.gz INJJMWDDVYBWIL-YSHGAJCASA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)CCC)CC1 ZINC001109681987 1000836433 /nfs/dbraw/zinc/83/64/33/1000836433.db2.gz OTFKWNLMWJYZDJ-BDXSIMOUSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)CCC)CC1 ZINC001109681987 1000836436 /nfs/dbraw/zinc/83/64/36/1000836436.db2.gz OTFKWNLMWJYZDJ-BDXSIMOUSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CC[C@@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001091626616 1000869103 /nfs/dbraw/zinc/86/91/03/1000869103.db2.gz LRMOHYCEYXWSLN-IXDOHACOSA-N 1 2 371.529 2.764 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CC[C@@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001091626616 1000869111 /nfs/dbraw/zinc/86/91/11/1000869111.db2.gz LRMOHYCEYXWSLN-IXDOHACOSA-N 1 2 371.529 2.764 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Nc2cccc(OC)c2)cn1 ZINC001147500349 1000905672 /nfs/dbraw/zinc/90/56/72/1000905672.db2.gz SRHVJBVUGGMOIX-SFHVURJKSA-N 1 2 350.422 2.870 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Nc2cccc(OC)c2)cn1 ZINC001147500349 1000905677 /nfs/dbraw/zinc/90/56/77/1000905677.db2.gz SRHVJBVUGGMOIX-SFHVURJKSA-N 1 2 350.422 2.870 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cccc(OC)c1)C2 ZINC001109747002 1000940067 /nfs/dbraw/zinc/94/00/67/1000940067.db2.gz YKKFJGFRZYQIEK-COXVUDFISA-N 1 2 350.846 2.548 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cccc(OC)c1)C2 ZINC001109747002 1000940073 /nfs/dbraw/zinc/94/00/73/1000940073.db2.gz YKKFJGFRZYQIEK-COXVUDFISA-N 1 2 350.846 2.548 20 30 FFEDLO C=CC1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CC2)CCCCC1 ZINC001109833981 1001065157 /nfs/dbraw/zinc/06/51/57/1001065157.db2.gz DJWPMKSFIGMYQG-QYZOEREBSA-N 1 2 373.541 2.761 20 30 FFEDLO C=CC1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CC2)CCCCC1 ZINC001109833981 1001065160 /nfs/dbraw/zinc/06/51/60/1001065160.db2.gz DJWPMKSFIGMYQG-QYZOEREBSA-N 1 2 373.541 2.761 20 30 FFEDLO C=CCc1cccc(C[NH+]2CC3(C2)CN(CC=C(C)C)C(=O)CO3)c1O ZINC001276178977 1016480454 /nfs/dbraw/zinc/48/04/54/1016480454.db2.gz GAFASSIREVDJNF-UHFFFAOYSA-N 1 2 356.466 2.500 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(OCC)cc1)C2 ZINC001110066161 1001428503 /nfs/dbraw/zinc/42/85/03/1001428503.db2.gz ADIKYGPNMMZEJO-JLSDUUJJSA-N 1 2 364.873 2.938 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(OCC)cc1)C2 ZINC001110066161 1001428507 /nfs/dbraw/zinc/42/85/07/1001428507.db2.gz ADIKYGPNMMZEJO-JLSDUUJJSA-N 1 2 364.873 2.938 20 30 FFEDLO CCCCCCCCCNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000785503849 1001446251 /nfs/dbraw/zinc/44/62/51/1001446251.db2.gz ZBEVRXIZBZVQPT-UHFFFAOYSA-N 1 2 360.502 2.597 20 30 FFEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cnc(SC)nc1Cl)CC2 ZINC001276187293 1016498246 /nfs/dbraw/zinc/49/82/46/1016498246.db2.gz PXSNDJBVWLFYAL-CYBMUJFWSA-N 1 2 366.918 2.756 20 30 FFEDLO COc1cc([N+](=O)[O-])ccc1N[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000746679390 1001687826 /nfs/dbraw/zinc/68/78/26/1001687826.db2.gz FPJIAQOBLHUGKO-UHFFFAOYSA-N 1 2 356.382 2.886 20 30 FFEDLO N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nsc2ccccc12 ZINC001110300623 1001878102 /nfs/dbraw/zinc/87/81/02/1001878102.db2.gz HMRFUGHSUKATGD-XPKDYRNWSA-N 1 2 372.519 2.775 20 30 FFEDLO N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nsc2ccccc12 ZINC001110300623 1001878120 /nfs/dbraw/zinc/87/81/20/1001878120.db2.gz HMRFUGHSUKATGD-XPKDYRNWSA-N 1 2 372.519 2.775 20 30 FFEDLO COc1ccc(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1C#N ZINC000746767806 1001906380 /nfs/dbraw/zinc/90/63/80/1001906380.db2.gz BYLIIJDKGGFXJK-UHFFFAOYSA-N 1 2 370.478 2.656 20 30 FFEDLO Cc1cccn2cc(CCNC(=O)NCc3cc(C#N)ccc3F)[nH+]c12 ZINC000746772292 1001908027 /nfs/dbraw/zinc/90/80/27/1001908027.db2.gz QQIMLHNPSRFQFI-UHFFFAOYSA-N 1 2 351.385 2.695 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCN1c1cccc(F)c1C#N ZINC001091828964 1001912657 /nfs/dbraw/zinc/91/26/57/1001912657.db2.gz NEENMORXGQSTDA-JEBQAFNWSA-N 1 2 369.444 2.773 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCN1c1cccc(F)c1C#N ZINC001091828964 1001912661 /nfs/dbraw/zinc/91/26/61/1001912661.db2.gz NEENMORXGQSTDA-JEBQAFNWSA-N 1 2 369.444 2.773 20 30 FFEDLO C[C@@H](CC(=O)N[C@H]1CCN(c2cccc(F)c2C#N)[C@@H]1C)n1cc[nH+]c1 ZINC001092054917 1002334185 /nfs/dbraw/zinc/33/41/85/1002334185.db2.gz KDHCFSVABGKBAW-VBQJREDUSA-N 1 2 355.417 2.629 20 30 FFEDLO COC[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183829329 1002402558 /nfs/dbraw/zinc/40/25/58/1002402558.db2.gz TWRWGGSRFXHOOG-UXHICEINSA-N 1 2 355.482 2.940 20 30 FFEDLO COC[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183829329 1002402563 /nfs/dbraw/zinc/40/25/63/1002402563.db2.gz TWRWGGSRFXHOOG-UXHICEINSA-N 1 2 355.482 2.940 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc([C@@H](C)OC)s2)C1 ZINC001086588085 1002416156 /nfs/dbraw/zinc/41/61/56/1002416156.db2.gz DAOQHMSYNXORNJ-HYVNUMGLSA-N 1 2 369.490 2.682 20 30 FFEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc([C@@H](C)OC)s2)C1 ZINC001086588085 1002416164 /nfs/dbraw/zinc/41/61/64/1002416164.db2.gz DAOQHMSYNXORNJ-HYVNUMGLSA-N 1 2 369.490 2.682 20 30 FFEDLO CCC[C@H](C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C#N)cn2)C1 ZINC001092313226 1002661424 /nfs/dbraw/zinc/66/14/24/1002661424.db2.gz DYAZOAQGOGGIBK-USXIJHARSA-N 1 2 366.469 2.529 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cc(C)ncn2)C1 ZINC001092315553 1002668033 /nfs/dbraw/zinc/66/80/33/1002668033.db2.gz FTMXOWDENYFIIE-HZPDHXFCSA-N 1 2 368.485 2.527 20 30 FFEDLO Cc1nc(N2C[C@@H](CNC(=O)C#CC(C)C)[C@H](C)C2)c2c([nH+]1)CCCC2 ZINC001092355944 1002726176 /nfs/dbraw/zinc/72/61/76/1002726176.db2.gz LMQDZNNXBBVSGB-NVXWUHKLSA-N 1 2 354.498 2.512 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ocnc2C(F)(F)F)C1 ZINC001086601248 1002782768 /nfs/dbraw/zinc/78/27/68/1002782768.db2.gz MNZYKOBOEWMZQV-UONOGXRCSA-N 1 2 363.339 2.524 20 30 FFEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ocnc2C(F)(F)F)C1 ZINC001086601248 1002782779 /nfs/dbraw/zinc/78/27/79/1002782779.db2.gz MNZYKOBOEWMZQV-UONOGXRCSA-N 1 2 363.339 2.524 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cscn2)C3)cc1F ZINC001096880229 1016672065 /nfs/dbraw/zinc/67/20/65/1016672065.db2.gz SWPKNUFVNDJCLR-UNEWFSDZSA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cscn2)C3)cc1F ZINC001096880229 1016672072 /nfs/dbraw/zinc/67/20/72/1016672072.db2.gz SWPKNUFVNDJCLR-UNEWFSDZSA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(F)nc2)C3)c(F)c1 ZINC001096889025 1016684620 /nfs/dbraw/zinc/68/46/20/1016684620.db2.gz VEKKTWWKSRHMRV-NXHRZFHOSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(F)nc2)C3)c(F)c1 ZINC001096889025 1016684627 /nfs/dbraw/zinc/68/46/27/1016684627.db2.gz VEKKTWWKSRHMRV-NXHRZFHOSA-N 1 2 368.387 2.767 20 30 FFEDLO CC[C@@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001110368918 1003054406 /nfs/dbraw/zinc/05/44/06/1003054406.db2.gz QYLFBPUSCFKDEE-AKHDSKFASA-N 1 2 360.885 2.838 20 30 FFEDLO CC[C@@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001110368918 1003054418 /nfs/dbraw/zinc/05/44/18/1003054418.db2.gz QYLFBPUSCFKDEE-AKHDSKFASA-N 1 2 360.885 2.838 20 30 FFEDLO CC[C@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001110368874 1003055205 /nfs/dbraw/zinc/05/52/05/1003055205.db2.gz PQSRNSIFCWJTAW-YRXWBPOGSA-N 1 2 360.885 2.838 20 30 FFEDLO CC[C@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001110368874 1003055212 /nfs/dbraw/zinc/05/52/12/1003055212.db2.gz PQSRNSIFCWJTAW-YRXWBPOGSA-N 1 2 360.885 2.838 20 30 FFEDLO Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1C ZINC001092537307 1003158951 /nfs/dbraw/zinc/15/89/51/1003158951.db2.gz LWLOEJFCGSLIOU-UKRRQHHQSA-N 1 2 369.444 2.550 20 30 FFEDLO C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1CCNc1ccc(C#N)cn1 ZINC001092615845 1003309493 /nfs/dbraw/zinc/30/94/93/1003309493.db2.gz QXQDDBMNAMYOGJ-SJLPKXTDSA-N 1 2 366.469 2.527 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CCNc2[nH+]cnc3c2cnn3C)C1 ZINC001092622705 1003325483 /nfs/dbraw/zinc/32/54/83/1003325483.db2.gz SXLGSAQDGSNMAW-HUUCEWRRSA-N 1 2 356.474 2.616 20 30 FFEDLO C[C@]1(C2CCCC2)CC(=O)N(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793589069 1003431179 /nfs/dbraw/zinc/43/11/79/1003431179.db2.gz GHIPCFJEEYIPEE-RXVVDRJESA-N 1 2 368.481 2.793 20 30 FFEDLO C[C@]1(C2CCCC2)CC(=O)N(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793589069 1003431184 /nfs/dbraw/zinc/43/11/84/1003431184.db2.gz GHIPCFJEEYIPEE-RXVVDRJESA-N 1 2 368.481 2.793 20 30 FFEDLO CC(C)(C)C[C@H]1CC(=O)N(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793607471 1003439344 /nfs/dbraw/zinc/43/93/44/1003439344.db2.gz QGDVJYBVXFOUPO-SJORKVTESA-N 1 2 356.470 2.649 20 30 FFEDLO CC(C)(C)C[C@H]1CC(=O)N(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793607471 1003439351 /nfs/dbraw/zinc/43/93/51/1003439351.db2.gz QGDVJYBVXFOUPO-SJORKVTESA-N 1 2 356.470 2.649 20 30 FFEDLO C=C(C)CCC(=O)NC[C@]12CCC[C@H]1N(c1[nH+]cnc3c1cnn3C)CC2 ZINC001092705628 1003459787 /nfs/dbraw/zinc/45/97/87/1003459787.db2.gz ZCKJPPMDHXOJGW-OXQOHEQNSA-N 1 2 368.485 2.585 20 30 FFEDLO CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001186965814 1003503999 /nfs/dbraw/zinc/50/39/99/1003503999.db2.gz NGEVWEYQDWKIDZ-HHXXYDBFSA-N 1 2 360.885 2.649 20 30 FFEDLO CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001186965814 1003504005 /nfs/dbraw/zinc/50/40/05/1003504005.db2.gz NGEVWEYQDWKIDZ-HHXXYDBFSA-N 1 2 360.885 2.649 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)co1 ZINC001096975017 1016791806 /nfs/dbraw/zinc/79/18/06/1016791806.db2.gz LZZRRLARXQYBKC-LMMKCTJWSA-N 1 2 367.424 2.763 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)co1 ZINC001096975017 1016791821 /nfs/dbraw/zinc/79/18/21/1016791821.db2.gz LZZRRLARXQYBKC-LMMKCTJWSA-N 1 2 367.424 2.763 20 30 FFEDLO C=C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCC)c1ccccc1 ZINC001110136775 1003599211 /nfs/dbraw/zinc/59/92/11/1003599211.db2.gz OPVOZTZEUKYXMW-ZRNYENFQSA-N 1 2 369.509 2.594 20 30 FFEDLO C=C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCC)c1ccccc1 ZINC001110136775 1003599213 /nfs/dbraw/zinc/59/92/13/1003599213.db2.gz OPVOZTZEUKYXMW-ZRNYENFQSA-N 1 2 369.509 2.594 20 30 FFEDLO N#CC1(NC(=O)c2cc(Cl)ncc2O)CC[NH+](Cc2ccccc2)CC1 ZINC001196400114 1003762872 /nfs/dbraw/zinc/76/28/72/1003762872.db2.gz MMSDBBYRTTYVCQ-UHFFFAOYSA-N 1 2 370.840 2.729 20 30 FFEDLO CC(C)CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001196363799 1003764750 /nfs/dbraw/zinc/76/47/50/1003764750.db2.gz GDLHPJNJURLPLI-RTBURBONSA-N 1 2 362.901 2.679 20 30 FFEDLO CC(C)CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001196363799 1003764753 /nfs/dbraw/zinc/76/47/53/1003764753.db2.gz GDLHPJNJURLPLI-RTBURBONSA-N 1 2 362.901 2.679 20 30 FFEDLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc(C3(C#N)CCOCC3)n2)C1 ZINC000867180772 1003819107 /nfs/dbraw/zinc/81/91/07/1003819107.db2.gz HVLNYSHAQBYCTN-KRWDZBQOSA-N 1 2 368.437 2.523 20 30 FFEDLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc(C3(C#N)CCOCC3)n2)C1 ZINC000867180772 1003819121 /nfs/dbraw/zinc/81/91/21/1003819121.db2.gz HVLNYSHAQBYCTN-KRWDZBQOSA-N 1 2 368.437 2.523 20 30 FFEDLO CC(C)CCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001197025483 1004052806 /nfs/dbraw/zinc/05/28/06/1004052806.db2.gz QROHFCJKROJOMB-WOJBJXKFSA-N 1 2 360.473 2.555 20 30 FFEDLO CC(C)CCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001197025483 1004052816 /nfs/dbraw/zinc/05/28/16/1004052816.db2.gz QROHFCJKROJOMB-WOJBJXKFSA-N 1 2 360.473 2.555 20 30 FFEDLO CCc1cc(C(=O)N2CCc3c(C[N@H+](C)C(C)C)n[nH]c3C2)ccc1C#N ZINC001197276190 1004151855 /nfs/dbraw/zinc/15/18/55/1004151855.db2.gz WXPDMMCQIRQNPK-UHFFFAOYSA-N 1 2 365.481 2.882 20 30 FFEDLO CCc1cc(C(=O)N2CCc3c(C[N@@H+](C)C(C)C)n[nH]c3C2)ccc1C#N ZINC001197276190 1004151859 /nfs/dbraw/zinc/15/18/59/1004151859.db2.gz WXPDMMCQIRQNPK-UHFFFAOYSA-N 1 2 365.481 2.882 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccccc2n1C ZINC001110493575 1004272940 /nfs/dbraw/zinc/27/29/40/1004272940.db2.gz WOEUJIBRFSMFAY-SUMDDJOVSA-N 1 2 350.466 2.598 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccccc2n1C ZINC001110493575 1004272947 /nfs/dbraw/zinc/27/29/47/1004272947.db2.gz WOEUJIBRFSMFAY-SUMDDJOVSA-N 1 2 350.466 2.598 20 30 FFEDLO CC[N@H+](CC(=O)NCCNc1ncccc1C#N)Cc1ccccc1Cl ZINC000806585243 1004372598 /nfs/dbraw/zinc/37/25/98/1004372598.db2.gz NUIXWFRVWPJYKO-UHFFFAOYSA-N 1 2 371.872 2.657 20 30 FFEDLO CC[N@@H+](CC(=O)NCCNc1ncccc1C#N)Cc1ccccc1Cl ZINC000806585243 1004372605 /nfs/dbraw/zinc/37/26/05/1004372605.db2.gz NUIXWFRVWPJYKO-UHFFFAOYSA-N 1 2 371.872 2.657 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)s1 ZINC001110495685 1004384270 /nfs/dbraw/zinc/38/42/70/1004384270.db2.gz FQZQWXNKPNSINV-CVGURMSBSA-N 1 2 354.903 2.950 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)s1 ZINC001110495685 1004384278 /nfs/dbraw/zinc/38/42/78/1004384278.db2.gz FQZQWXNKPNSINV-CVGURMSBSA-N 1 2 354.903 2.950 20 30 FFEDLO CC[C@H](C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110455779 1004404586 /nfs/dbraw/zinc/40/45/86/1004404586.db2.gz MTFAEELDLWYDKT-QVSURHGTSA-N 1 2 359.445 2.734 20 30 FFEDLO CC[C@H](C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110455779 1004404591 /nfs/dbraw/zinc/40/45/91/1004404591.db2.gz MTFAEELDLWYDKT-QVSURHGTSA-N 1 2 359.445 2.734 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)cc2F)C[C@H]1O ZINC001193304339 1004444468 /nfs/dbraw/zinc/44/44/68/1004444468.db2.gz XFASCMGECYXMQE-JCURWCKSSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)cc2F)C[C@H]1O ZINC001193304339 1004444476 /nfs/dbraw/zinc/44/44/76/1004444476.db2.gz XFASCMGECYXMQE-JCURWCKSSA-N 1 2 352.425 2.789 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1O ZINC001198080677 1004472906 /nfs/dbraw/zinc/47/29/06/1004472906.db2.gz HDEFDMKCKPWQLS-IAGOWNOFSA-N 1 2 351.491 2.703 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1O ZINC001198080677 1004472908 /nfs/dbraw/zinc/47/29/08/1004472908.db2.gz HDEFDMKCKPWQLS-IAGOWNOFSA-N 1 2 351.491 2.703 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1noc2c1CCCC2 ZINC001110459559 1004486763 /nfs/dbraw/zinc/48/67/63/1004486763.db2.gz QPSYFAZAQGPUIP-SUMDDJOVSA-N 1 2 355.482 2.969 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1noc2c1CCCC2 ZINC001110459559 1004486766 /nfs/dbraw/zinc/48/67/66/1004486766.db2.gz QPSYFAZAQGPUIP-SUMDDJOVSA-N 1 2 355.482 2.969 20 30 FFEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001193674972 1004546345 /nfs/dbraw/zinc/54/63/45/1004546345.db2.gz NHFLZCYEYGGKAY-WOJBJXKFSA-N 1 2 352.434 2.698 20 30 FFEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001193674972 1004546352 /nfs/dbraw/zinc/54/63/52/1004546352.db2.gz NHFLZCYEYGGKAY-WOJBJXKFSA-N 1 2 352.434 2.698 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001194077534 1004647033 /nfs/dbraw/zinc/64/70/33/1004647033.db2.gz PPTPOGKJWIYKGD-GOSISDBHSA-N 1 2 366.446 2.783 20 30 FFEDLO COc1ccc(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1C#N ZINC000747430474 1004709562 /nfs/dbraw/zinc/70/95/62/1004709562.db2.gz BGNAIAFNLDQGIB-RHSMWYFYSA-N 1 2 353.426 2.556 20 30 FFEDLO CC(C)(C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110464458 1004865087 /nfs/dbraw/zinc/86/50/87/1004865087.db2.gz XWPQYYIHUBDOIV-NXHRZFHOSA-N 1 2 359.445 2.734 20 30 FFEDLO CC(C)(C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110464458 1004865092 /nfs/dbraw/zinc/86/50/92/1004865092.db2.gz XWPQYYIHUBDOIV-NXHRZFHOSA-N 1 2 359.445 2.734 20 30 FFEDLO CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)c3cnc(C#N)cn3)CC2)cc1 ZINC001199665232 1005001693 /nfs/dbraw/zinc/00/16/93/1005001693.db2.gz PKRNEZGUIYJKAD-UHFFFAOYSA-N 1 2 363.465 2.604 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110543440 1005044417 /nfs/dbraw/zinc/04/44/17/1005044417.db2.gz RHZCHVJSBWBMQI-AQNXPRMDSA-N 1 2 352.453 2.948 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110543440 1005044421 /nfs/dbraw/zinc/04/44/21/1005044421.db2.gz RHZCHVJSBWBMQI-AQNXPRMDSA-N 1 2 352.453 2.948 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(Cl)c2)C[C@H]1O ZINC001195923858 1005074916 /nfs/dbraw/zinc/07/49/16/1005074916.db2.gz NZVKZIRDKIWXJW-GPMSIDNRSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(Cl)c2)C[C@H]1O ZINC001195923858 1005074923 /nfs/dbraw/zinc/07/49/23/1005074923.db2.gz NZVKZIRDKIWXJW-GPMSIDNRSA-N 1 2 366.889 2.612 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)c(F)c1 ZINC001110553356 1005111027 /nfs/dbraw/zinc/11/10/27/1005111027.db2.gz LKRZGTMBRQMRIZ-OLMNPRSZSA-N 1 2 364.848 2.741 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)c(F)c1 ZINC001110553356 1005111029 /nfs/dbraw/zinc/11/10/29/1005111029.db2.gz LKRZGTMBRQMRIZ-OLMNPRSZSA-N 1 2 364.848 2.741 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)cc1F ZINC001110553623 1005112126 /nfs/dbraw/zinc/11/21/26/1005112126.db2.gz ZYEYVIGFJXIDGX-NXHRZFHOSA-N 1 2 364.848 2.741 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)cc1F ZINC001110553623 1005112128 /nfs/dbraw/zinc/11/21/28/1005112128.db2.gz ZYEYVIGFJXIDGX-NXHRZFHOSA-N 1 2 364.848 2.741 20 30 FFEDLO Cc1cnccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001097049014 1016947451 /nfs/dbraw/zinc/94/74/51/1016947451.db2.gz RNPWFCBNIKVKLI-XWIAVFTESA-N 1 2 352.463 2.859 20 30 FFEDLO Cc1cnccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001097049014 1016947464 /nfs/dbraw/zinc/94/74/64/1016947464.db2.gz RNPWFCBNIKVKLI-XWIAVFTESA-N 1 2 352.463 2.859 20 30 FFEDLO CC(=[NH+]Nc1cccc(S(C)(=O)=O)c1)c1ccc(N2CCOCC2)cc1 ZINC000776260858 1005327214 /nfs/dbraw/zinc/32/72/14/1005327214.db2.gz AUNOCRGTLXDQSO-UHFFFAOYSA-N 1 2 373.478 2.763 20 30 FFEDLO Cc1cnc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](NC(=O)[C@H](C)C#N)C2)o1 ZINC001489090670 1005418244 /nfs/dbraw/zinc/41/82/44/1005418244.db2.gz MISCURHZTSWIGH-ZTFGCOKTSA-N 1 2 352.438 2.617 20 30 FFEDLO Cc1cnc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](NC(=O)[C@H](C)C#N)C2)o1 ZINC001489090670 1005418246 /nfs/dbraw/zinc/41/82/46/1005418246.db2.gz MISCURHZTSWIGH-ZTFGCOKTSA-N 1 2 352.438 2.617 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cncc(F)c2)CC[C@@H]1c1ccccc1 ZINC001489090368 1005418303 /nfs/dbraw/zinc/41/83/03/1005418303.db2.gz ISVMBQKBSJGPSN-CWFSZBLJSA-N 1 2 366.440 2.855 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cncc(F)c2)CC[C@@H]1c1ccccc1 ZINC001489090368 1005418304 /nfs/dbraw/zinc/41/83/04/1005418304.db2.gz ISVMBQKBSJGPSN-CWFSZBLJSA-N 1 2 366.440 2.855 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2cnc(C(F)(F)F)nc2)[C@@H]1C ZINC001489283255 1005448215 /nfs/dbraw/zinc/44/82/15/1005448215.db2.gz XLLSGPAQUFABDQ-YPMHNXCESA-N 1 2 356.392 2.787 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2cnc(C(F)(F)F)nc2)[C@@H]1C ZINC001489283255 1005448217 /nfs/dbraw/zinc/44/82/17/1005448217.db2.gz XLLSGPAQUFABDQ-YPMHNXCESA-N 1 2 356.392 2.787 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)CCCCC1 ZINC001489674034 1005537408 /nfs/dbraw/zinc/53/74/08/1005537408.db2.gz KIDIQOKEJICJHV-SJLPKXTDSA-N 1 2 370.497 2.538 20 30 FFEDLO C=CCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001489684886 1005541871 /nfs/dbraw/zinc/54/18/71/1005541871.db2.gz KYRAAGFYQYXWHA-KZNAEPCWSA-N 1 2 360.502 2.980 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001490347697 1005690137 /nfs/dbraw/zinc/69/01/37/1005690137.db2.gz ULTMMIVTLXBGGL-BZUAXINKSA-N 1 2 360.502 2.500 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001490437071 1005722471 /nfs/dbraw/zinc/72/24/71/1005722471.db2.gz BAOKMCIAYLOTNU-IAGOWNOFSA-N 1 2 368.481 2.905 20 30 FFEDLO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001490797094 1005773084 /nfs/dbraw/zinc/77/30/84/1005773084.db2.gz QHWCCICEKVQTFE-MBDNFAEBSA-N 1 2 366.505 2.580 20 30 FFEDLO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001490797094 1005773088 /nfs/dbraw/zinc/77/30/88/1005773088.db2.gz QHWCCICEKVQTFE-MBDNFAEBSA-N 1 2 366.505 2.580 20 30 FFEDLO COCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CCCC1 ZINC001110634509 1005907783 /nfs/dbraw/zinc/90/77/83/1005907783.db2.gz JZUVFFGXTZEFSZ-AQNXPRMDSA-N 1 2 367.493 2.987 20 30 FFEDLO COCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CCCC1 ZINC001110634509 1005907785 /nfs/dbraw/zinc/90/77/85/1005907785.db2.gz JZUVFFGXTZEFSZ-AQNXPRMDSA-N 1 2 367.493 2.987 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001187216416 1005983559 /nfs/dbraw/zinc/98/35/59/1005983559.db2.gz BEIHRAYRSOJWEW-YZVOILCLSA-N 1 2 364.436 2.979 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001187216416 1005983566 /nfs/dbraw/zinc/98/35/66/1005983566.db2.gz BEIHRAYRSOJWEW-YZVOILCLSA-N 1 2 364.436 2.979 20 30 FFEDLO Cc1cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc1NC(=O)OC(C)(C)C ZINC000853129671 1006306891 /nfs/dbraw/zinc/30/68/91/1006306891.db2.gz NXPCYBGKOCKGPL-INIZCTEOSA-N 1 2 362.474 2.960 20 30 FFEDLO Cc1cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc1NC(=O)OC(C)(C)C ZINC000853129671 1006306899 /nfs/dbraw/zinc/30/68/99/1006306899.db2.gz NXPCYBGKOCKGPL-INIZCTEOSA-N 1 2 362.474 2.960 20 30 FFEDLO CCc1ccc([C@]2(CC)NC(=O)N(C[N@@H+]3CCC[C@@H](CC#N)C3)C2=O)cc1 ZINC000853525663 1006429820 /nfs/dbraw/zinc/42/98/20/1006429820.db2.gz YPFPMNSETUPHOA-UWJYYQICSA-N 1 2 368.481 2.989 20 30 FFEDLO CCc1ccc([C@]2(CC)NC(=O)N(C[N@H+]3CCC[C@@H](CC#N)C3)C2=O)cc1 ZINC000853525663 1006429826 /nfs/dbraw/zinc/42/98/26/1006429826.db2.gz YPFPMNSETUPHOA-UWJYYQICSA-N 1 2 368.481 2.989 20 30 FFEDLO CN(c1ccccc1)[C@@H]1CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000853583494 1006457420 /nfs/dbraw/zinc/45/74/20/1006457420.db2.gz BMFGJQMSVWEYAG-LJQANCHMSA-N 1 2 362.477 2.767 20 30 FFEDLO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000853583494 1006457431 /nfs/dbraw/zinc/45/74/31/1006457431.db2.gz BMFGJQMSVWEYAG-LJQANCHMSA-N 1 2 362.477 2.767 20 30 FFEDLO C=C(C)C[C@@H](CO)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000883545028 1006853105 /nfs/dbraw/zinc/85/31/05/1006853105.db2.gz HJFUDTUHOVNXES-PKOBYXMFSA-N 1 2 356.470 2.868 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC001189079534 1006900038 /nfs/dbraw/zinc/90/00/38/1006900038.db2.gz FHTCVSXDNVVZHT-UHFFFAOYSA-N 1 2 369.490 2.922 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883670954 1006940215 /nfs/dbraw/zinc/94/02/15/1006940215.db2.gz XBVOMFBVGDBDNE-QRVBRYPASA-N 1 2 354.454 2.905 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)COCC1CC1 ZINC001206204683 1032185055 /nfs/dbraw/zinc/18/50/55/1032185055.db2.gz GSQGEMMWMJMRDO-DNVCBOLYSA-N 1 2 360.885 2.555 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)COCC1CC1 ZINC001206204683 1032185057 /nfs/dbraw/zinc/18/50/57/1032185057.db2.gz GSQGEMMWMJMRDO-DNVCBOLYSA-N 1 2 360.885 2.555 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]3C[N@@H+](Cc4cn(CC)nn4)C[C@H]32)CCCCC1 ZINC001189406387 1007066551 /nfs/dbraw/zinc/06/65/51/1007066551.db2.gz OGSAYTOIWPIUJW-PKOBYXMFSA-N 1 2 371.529 2.857 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]3C[N@H+](Cc4cn(CC)nn4)C[C@H]32)CCCCC1 ZINC001189406387 1007066564 /nfs/dbraw/zinc/06/65/64/1007066564.db2.gz OGSAYTOIWPIUJW-PKOBYXMFSA-N 1 2 371.529 2.857 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000884074792 1007217105 /nfs/dbraw/zinc/21/71/05/1007217105.db2.gz BGLIDFWESHBJIQ-HNNXBMFYSA-N 1 2 370.371 2.643 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000884085897 1007225911 /nfs/dbraw/zinc/22/59/11/1007225911.db2.gz GYPCRTLHIFOBPR-LRDDRELGSA-N 1 2 373.478 2.742 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000884112603 1007245413 /nfs/dbraw/zinc/24/54/13/1007245413.db2.gz RAOIXQZAMXUONN-FQEVSTJZSA-N 1 2 366.461 2.992 20 30 FFEDLO C=C[C@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(C)o3)C[C@H]21)c1ccccc1 ZINC001190282749 1007571359 /nfs/dbraw/zinc/57/13/59/1007571359.db2.gz ULIKZXRZXXTMBN-NZSAHSFTSA-N 1 2 366.465 2.771 20 30 FFEDLO C=C[C@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3nnc(C)o3)C[C@H]21)c1ccccc1 ZINC001190282749 1007571368 /nfs/dbraw/zinc/57/13/68/1007571368.db2.gz ULIKZXRZXXTMBN-NZSAHSFTSA-N 1 2 366.465 2.771 20 30 FFEDLO CC(C)(C#N)c1cccc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)c1 ZINC001190927638 1007835291 /nfs/dbraw/zinc/83/52/91/1007835291.db2.gz BFCJRYULNCZBTN-UHFFFAOYSA-N 1 2 362.477 2.883 20 30 FFEDLO CCCC[C@@H](CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001191239147 1007946294 /nfs/dbraw/zinc/94/62/94/1007946294.db2.gz XYUFLSUMUIGGDV-ATZDWAIDSA-N 1 2 361.461 2.575 20 30 FFEDLO CCCC[C@@H](CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001191239147 1007946302 /nfs/dbraw/zinc/94/63/02/1007946302.db2.gz XYUFLSUMUIGGDV-ATZDWAIDSA-N 1 2 361.461 2.575 20 30 FFEDLO C=CCCn1cc(C[N@H+]2C[C@@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)nn1 ZINC000856813803 1007987645 /nfs/dbraw/zinc/98/76/45/1007987645.db2.gz OJGYWGXOJIVORJ-HNAYVOBHSA-N 1 2 361.490 2.733 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2C[C@@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)nn1 ZINC000856813803 1007987647 /nfs/dbraw/zinc/98/76/47/1007987647.db2.gz OJGYWGXOJIVORJ-HNAYVOBHSA-N 1 2 361.490 2.733 20 30 FFEDLO COc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1Cc1ccccc1 ZINC000819393904 1008113768 /nfs/dbraw/zinc/11/37/68/1008113768.db2.gz MHHWRWSWTFEEBR-FQEVSTJZSA-N 1 2 353.466 2.904 20 30 FFEDLO COc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1Cc1ccccc1 ZINC000819393904 1008113772 /nfs/dbraw/zinc/11/37/72/1008113772.db2.gz MHHWRWSWTFEEBR-FQEVSTJZSA-N 1 2 353.466 2.904 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001206428971 1032279251 /nfs/dbraw/zinc/27/92/51/1032279251.db2.gz KZZZIXCKAYSNST-IIAWOOMASA-N 1 2 351.516 2.623 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001206428971 1032279263 /nfs/dbraw/zinc/27/92/63/1032279263.db2.gz KZZZIXCKAYSNST-IIAWOOMASA-N 1 2 351.516 2.623 20 30 FFEDLO C=CC[C@]1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CCCN1C(=O)OC(C)(C)C ZINC000857947741 1008257632 /nfs/dbraw/zinc/25/76/32/1008257632.db2.gz VHVALDZVDOMVGA-MGPUTAFESA-N 1 2 374.485 2.660 20 30 FFEDLO C=CC[C@@]1(C(=O)N[C@H]2CCn3c[nH+]cc32)CCCN1C(=O)OC(C)(C)C ZINC000857982792 1008268710 /nfs/dbraw/zinc/26/87/10/1008268710.db2.gz SCXABGCJPLLLID-LIRRHRJNSA-N 1 2 360.458 2.790 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858012680 1008276536 /nfs/dbraw/zinc/27/65/36/1008276536.db2.gz BGWPAXYZFWVKAJ-GHTZIAJQSA-N 1 2 370.497 2.857 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858012680 1008276542 /nfs/dbraw/zinc/27/65/42/1008276542.db2.gz BGWPAXYZFWVKAJ-GHTZIAJQSA-N 1 2 370.497 2.857 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)/C=C/c2ccc(F)cc2)C[C@H](C)O1 ZINC001136421959 1008426433 /nfs/dbraw/zinc/42/64/33/1008426433.db2.gz HWGXRNKJYALFBV-GCTDCNCDSA-N 1 2 374.456 2.508 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)/C=C/c2ccc(F)cc2)C[C@H](C)O1 ZINC001136421959 1008426434 /nfs/dbraw/zinc/42/64/34/1008426434.db2.gz HWGXRNKJYALFBV-GCTDCNCDSA-N 1 2 374.456 2.508 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCc1cccc(OC)c1)C2 ZINC001110759721 1008445360 /nfs/dbraw/zinc/44/53/60/1008445360.db2.gz KHMCBIMCQGGGGX-NXHRZFHOSA-N 1 2 364.873 2.686 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCc1cccc(OC)c1)C2 ZINC001110759721 1008445363 /nfs/dbraw/zinc/44/53/63/1008445363.db2.gz KHMCBIMCQGGGGX-NXHRZFHOSA-N 1 2 364.873 2.686 20 30 FFEDLO C#CC[C@@H](CCOC)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000859018930 1008465709 /nfs/dbraw/zinc/46/57/09/1008465709.db2.gz GIRFFZPRGAZHFM-SJORKVTESA-N 1 2 358.486 2.537 20 30 FFEDLO Cc1ccc(C[NH+]2CC(C)(c3nnc(C4CCOCC4)o3)C2)cc1C#N ZINC000859362178 1008506768 /nfs/dbraw/zinc/50/67/68/1008506768.db2.gz REHSSNQHWGCYLH-UHFFFAOYSA-N 1 2 352.438 2.917 20 30 FFEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cnc(OC)c(C(F)(F)F)c2)cc1 ZINC001170985225 1008582178 /nfs/dbraw/zinc/58/21/78/1008582178.db2.gz NYESAMYRPNGFRK-UHFFFAOYSA-N 1 2 353.300 2.933 20 30 FFEDLO Cc1[nH]c(C2CCN([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)[nH+]c1C ZINC000886670118 1008805747 /nfs/dbraw/zinc/80/57/47/1008805747.db2.gz JRHOZPLYKRCZCB-MRXNPFEDSA-N 1 2 357.502 2.937 20 30 FFEDLO C=CCOCC(=O)N1C[C@@H](c2ccccc2F)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001090644923 1008863861 /nfs/dbraw/zinc/86/38/61/1008863861.db2.gz FQCKHPSYNJRTMN-FUHWJXTLSA-N 1 2 370.428 2.533 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001090675816 1009028055 /nfs/dbraw/zinc/02/80/55/1009028055.db2.gz KFYJLUTZYJAKEY-HYVNUMGLSA-N 1 2 360.502 2.831 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3F)o2)C[C@H]1C ZINC001206659053 1032377820 /nfs/dbraw/zinc/37/78/20/1032377820.db2.gz BPTLGMZJQYIDGD-WOSRLPQWSA-N 1 2 356.401 2.577 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3F)o2)C[C@H]1C ZINC001206659053 1032377828 /nfs/dbraw/zinc/37/78/28/1032377828.db2.gz BPTLGMZJQYIDGD-WOSRLPQWSA-N 1 2 356.401 2.577 20 30 FFEDLO CC(C)(NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(C#N)cc1 ZINC001178994689 1009219665 /nfs/dbraw/zinc/21/96/65/1009219665.db2.gz ZCSAYNVBGNNEQE-FQEVSTJZSA-N 1 2 363.461 2.811 20 30 FFEDLO CC(C)(NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(C#N)cc1 ZINC001178994689 1009219672 /nfs/dbraw/zinc/21/96/72/1009219672.db2.gz ZCSAYNVBGNNEQE-FQEVSTJZSA-N 1 2 363.461 2.811 20 30 FFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1C#N ZINC001092920789 1009335916 /nfs/dbraw/zinc/33/59/16/1009335916.db2.gz OXHVSIFJYJCJDZ-AICUMBRKSA-N 1 2 367.428 2.525 20 30 FFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1C#N ZINC001092920789 1009335922 /nfs/dbraw/zinc/33/59/22/1009335922.db2.gz OXHVSIFJYJCJDZ-AICUMBRKSA-N 1 2 367.428 2.525 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001092949090 1009419154 /nfs/dbraw/zinc/41/91/54/1009419154.db2.gz SFLZGEMGMFXRCJ-VQHPVUNQSA-N 1 2 358.486 2.555 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000861670286 1009504126 /nfs/dbraw/zinc/50/41/26/1009504126.db2.gz LHAFNNDUUSWTLC-XLIONFOSSA-N 1 2 367.493 2.692 20 30 FFEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000861670284 1009504294 /nfs/dbraw/zinc/50/42/94/1009504294.db2.gz LHAFNNDUUSWTLC-FXAWDEMLSA-N 1 2 367.493 2.692 20 30 FFEDLO O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000887777767 1009586355 /nfs/dbraw/zinc/58/63/55/1009586355.db2.gz HBPDBCARWKWFGI-IBGZPJMESA-N 1 2 372.440 2.654 20 30 FFEDLO O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000887777767 1009586370 /nfs/dbraw/zinc/58/63/70/1009586370.db2.gz HBPDBCARWKWFGI-IBGZPJMESA-N 1 2 372.440 2.654 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206778778 1032421705 /nfs/dbraw/zinc/42/17/05/1032421705.db2.gz JTQKQQJPQKGWES-DNVCBOLYSA-N 1 2 359.445 2.617 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206778778 1032421708 /nfs/dbraw/zinc/42/17/08/1032421708.db2.gz JTQKQQJPQKGWES-DNVCBOLYSA-N 1 2 359.445 2.617 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1CN(c1cc(C)[nH+]c(C3CC3)n1)C2 ZINC001093081852 1009797299 /nfs/dbraw/zinc/79/72/99/1009797299.db2.gz BNDXZCIBDDCYOW-UWJYYQICSA-N 1 2 352.482 2.941 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C(C)C)C2 ZINC001110141474 1010129651 /nfs/dbraw/zinc/12/96/51/1010129651.db2.gz ARPLPXGVNSRNJN-KBMXLJTQSA-N 1 2 361.511 2.509 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C(C)C)C2 ZINC001110141474 1010129657 /nfs/dbraw/zinc/12/96/57/1010129657.db2.gz ARPLPXGVNSRNJN-KBMXLJTQSA-N 1 2 361.511 2.509 20 30 FFEDLO CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000773981493 1010405832 /nfs/dbraw/zinc/40/58/32/1010405832.db2.gz YWLAVLSWIAQKIL-IAGOWNOFSA-N 1 2 373.522 2.896 20 30 FFEDLO CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000773981493 1010405836 /nfs/dbraw/zinc/40/58/36/1010405836.db2.gz YWLAVLSWIAQKIL-IAGOWNOFSA-N 1 2 373.522 2.896 20 30 FFEDLO Cc1nc2ccccc2n1C1CC[NH+](Cn2ccc(C)c(C#N)c2=O)CC1 ZINC000794677361 1010465848 /nfs/dbraw/zinc/46/58/48/1010465848.db2.gz DBAZFGKFQRIMND-UHFFFAOYSA-N 1 2 361.449 2.981 20 30 FFEDLO Cc1cc(N2CCN(C(=O)c3sccc3CC#N)CC2)nc(C(C)C)[nH+]1 ZINC000864647463 1010541484 /nfs/dbraw/zinc/54/14/84/1010541484.db2.gz LBCSRSJWSAGBBB-UHFFFAOYSA-N 1 2 369.494 2.998 20 30 FFEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1=S ZINC000794712441 1010564808 /nfs/dbraw/zinc/56/48/08/1010564808.db2.gz LNWOUKQFVDFZKW-IBGZPJMESA-N 1 2 371.510 2.730 20 30 FFEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2CC[C@](C)(C(N)=O)C2)c1=S ZINC000794712441 1010564817 /nfs/dbraw/zinc/56/48/17/1010564817.db2.gz LNWOUKQFVDFZKW-IBGZPJMESA-N 1 2 371.510 2.730 20 30 FFEDLO N#Cc1cccc(Oc2ccc(NC(=O)/C=C/C[NH+]3CCOCC3)cn2)c1 ZINC000864857999 1010602411 /nfs/dbraw/zinc/60/24/11/1010602411.db2.gz GKXFFGWDYUMCPD-GORDUTHDSA-N 1 2 364.405 2.572 20 30 FFEDLO N#Cc1ccc(Oc2ccc(NC(=O)/C=C\C[NH+]3CCOCC3)cn2)cc1 ZINC000864889896 1010618685 /nfs/dbraw/zinc/61/86/85/1010618685.db2.gz AVMSMIGBGMLJGF-UPHRSURJSA-N 1 2 364.405 2.572 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nnc(-c4cccc(F)c4)o3)C2)nc1 ZINC000794831699 1010754028 /nfs/dbraw/zinc/75/40/28/1010754028.db2.gz HPCONJICAOQQHB-INIZCTEOSA-N 1 2 365.368 2.796 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nnc(-c4cccc(F)c4)o3)C2)nc1 ZINC000794831699 1010754037 /nfs/dbraw/zinc/75/40/37/1010754037.db2.gz HPCONJICAOQQHB-INIZCTEOSA-N 1 2 365.368 2.796 20 30 FFEDLO C[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1cccc(C#N)c1O ZINC000866242171 1010959702 /nfs/dbraw/zinc/95/97/02/1010959702.db2.gz LLAIXFPWXVBCHH-HNNXBMFYSA-N 1 2 365.433 2.587 20 30 FFEDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000796172477 1011252984 /nfs/dbraw/zinc/25/29/84/1011252984.db2.gz RNMPKSIQTOWJCJ-GOSISDBHSA-N 1 2 372.469 2.534 20 30 FFEDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000796172477 1011252998 /nfs/dbraw/zinc/25/29/98/1011252998.db2.gz RNMPKSIQTOWJCJ-GOSISDBHSA-N 1 2 372.469 2.534 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(OC)ccn1 ZINC001110860211 1011255226 /nfs/dbraw/zinc/25/52/26/1011255226.db2.gz UXBIYABQZHMLMJ-RBAQFSTRSA-N 1 2 373.497 2.541 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(OC)ccn1 ZINC001110860211 1011255235 /nfs/dbraw/zinc/25/52/35/1011255235.db2.gz UXBIYABQZHMLMJ-RBAQFSTRSA-N 1 2 373.497 2.541 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NCC(C)(C)CCC#N)C2)cc1 ZINC000868613533 1011387474 /nfs/dbraw/zinc/38/74/74/1011387474.db2.gz NWTOYHHUICIZLC-LJQANCHMSA-N 1 2 372.513 2.825 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NCC(C)(C)CCC#N)C2)cc1 ZINC000868613533 1011387489 /nfs/dbraw/zinc/38/74/89/1011387489.db2.gz NWTOYHHUICIZLC-LJQANCHMSA-N 1 2 372.513 2.825 20 30 FFEDLO Cc1ccc2c(C[NH+]3CCN(c4cnccc4C#N)CC3)cc(=O)oc2c1 ZINC000795040588 1011509754 /nfs/dbraw/zinc/50/97/54/1011509754.db2.gz CZLUORYZXPKZJQ-UHFFFAOYSA-N 1 2 360.417 2.690 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH2+]C[C@@H]2C#N)CC12CCCCC2 ZINC001172049505 1011607869 /nfs/dbraw/zinc/60/78/69/1011607869.db2.gz AMNTWNMUCWDLTO-IRXDYDNUSA-N 1 2 362.518 2.886 20 30 FFEDLO C=C(C)CN1CC2(C[NH+](CCc3cccc(C(F)(F)F)c3)C2)OCC1=O ZINC001276330337 1011738532 /nfs/dbraw/zinc/73/85/32/1011738532.db2.gz IFOQABQAZUPEON-UHFFFAOYSA-N 1 2 368.399 2.737 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@@H](C)CCO[C@H](C)CC ZINC001172331721 1011766375 /nfs/dbraw/zinc/76/63/75/1011766375.db2.gz RJLNIUJARRDCBU-LZLYRXPVSA-N 1 2 350.507 2.994 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H](C)CCO[C@H](C)CC ZINC001172331721 1011766390 /nfs/dbraw/zinc/76/63/90/1011766390.db2.gz RJLNIUJARRDCBU-LZLYRXPVSA-N 1 2 350.507 2.994 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172713584 1011991496 /nfs/dbraw/zinc/99/14/96/1011991496.db2.gz IKFKNVHHAQTYAJ-SJLPKXTDSA-N 1 2 358.873 2.738 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172713584 1011991504 /nfs/dbraw/zinc/99/15/04/1011991504.db2.gz IKFKNVHHAQTYAJ-SJLPKXTDSA-N 1 2 358.873 2.738 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(c3cccnc3)CC1)C2 ZINC001095904816 1012051557 /nfs/dbraw/zinc/05/15/57/1012051557.db2.gz XGNIFWUJLWBYOU-HKBOAZHASA-N 1 2 372.472 2.907 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(c3cccnc3)CC1)C2 ZINC001095904816 1012051574 /nfs/dbraw/zinc/05/15/74/1012051574.db2.gz XGNIFWUJLWBYOU-HKBOAZHASA-N 1 2 372.472 2.907 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCCCCCNc1ncccc1C#N ZINC001095000830 1012218952 /nfs/dbraw/zinc/21/89/52/1012218952.db2.gz XGTBDTJRNIYQPC-IAGOWNOFSA-N 1 2 366.469 2.579 20 30 FFEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1nc2ccccc2[nH]1 ZINC001275292931 1012221256 /nfs/dbraw/zinc/22/12/56/1012221256.db2.gz DOHBEDLOEIZNOJ-FQEVSTJZSA-N 1 2 351.454 2.824 20 30 FFEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1nc2ccccc2[nH]1 ZINC001275292931 1012221267 /nfs/dbraw/zinc/22/12/67/1012221267.db2.gz DOHBEDLOEIZNOJ-FQEVSTJZSA-N 1 2 351.454 2.824 20 30 FFEDLO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001275328729 1012307725 /nfs/dbraw/zinc/30/77/25/1012307725.db2.gz BILJLRVWQDBVJM-XOBRGWDASA-N 1 2 357.429 2.632 20 30 FFEDLO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001275328729 1012307737 /nfs/dbraw/zinc/30/77/37/1012307737.db2.gz BILJLRVWQDBVJM-XOBRGWDASA-N 1 2 357.429 2.632 20 30 FFEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173225431 1012360203 /nfs/dbraw/zinc/36/02/03/1012360203.db2.gz JXHRYGHEVFFGSE-LIRRHRJNSA-N 1 2 367.405 2.771 20 30 FFEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173225429 1012360415 /nfs/dbraw/zinc/36/04/15/1012360415.db2.gz JXHRYGHEVFFGSE-KUHUBIRLSA-N 1 2 367.405 2.771 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cnc(Cl)cc1C)C2 ZINC001275405520 1012430712 /nfs/dbraw/zinc/43/07/12/1012430712.db2.gz LWOVTRUQBMCGJD-LJQANCHMSA-N 1 2 363.889 2.670 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cnc(Cl)cc1C)C2 ZINC001275405520 1012430720 /nfs/dbraw/zinc/43/07/20/1012430720.db2.gz LWOVTRUQBMCGJD-LJQANCHMSA-N 1 2 363.889 2.670 20 30 FFEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1n[nH]c3ccc(Cl)cc13)CC2 ZINC001275461599 1012490169 /nfs/dbraw/zinc/49/01/69/1012490169.db2.gz ZZZZVBBFSBHIDC-HNNXBMFYSA-N 1 2 356.857 2.568 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=COCCC2)C3)c(F)c1 ZINC001095226057 1012749876 /nfs/dbraw/zinc/74/98/76/1012749876.db2.gz UPZQZNRPSZDJGP-NEWSRXKRSA-N 1 2 355.413 2.613 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=COCCC2)C3)c(F)c1 ZINC001095226057 1012749885 /nfs/dbraw/zinc/74/98/85/1012749885.db2.gz UPZQZNRPSZDJGP-NEWSRXKRSA-N 1 2 355.413 2.613 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(OC)c(OC)c2Cl)C1=O ZINC001275688594 1012865884 /nfs/dbraw/zinc/86/58/84/1012865884.db2.gz RONMHRQMFUESIG-IBGZPJMESA-N 1 2 362.857 2.557 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(OC)c(OC)c2Cl)C1=O ZINC001275688594 1012865904 /nfs/dbraw/zinc/86/59/04/1012865904.db2.gz RONMHRQMFUESIG-IBGZPJMESA-N 1 2 362.857 2.557 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)ccc2Br)C1=O ZINC001275721398 1012920725 /nfs/dbraw/zinc/92/07/25/1012920725.db2.gz BNCHZLRQUDLCIW-KRWDZBQOSA-N 1 2 365.246 2.788 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)ccc2Br)C1=O ZINC001275721398 1012920732 /nfs/dbraw/zinc/92/07/32/1012920732.db2.gz BNCHZLRQUDLCIW-KRWDZBQOSA-N 1 2 365.246 2.788 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nc(C)[nH+]c(C)c2C)cc1 ZINC001055164658 1017096360 /nfs/dbraw/zinc/09/63/60/1017096360.db2.gz RZSHAPACPOIKGG-AABGKKOBSA-N 1 2 360.461 2.923 20 30 FFEDLO COCc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)o1 ZINC001095725672 1017154346 /nfs/dbraw/zinc/15/43/46/1017154346.db2.gz QXMUXFINRZSPAQ-HOJAQTOUSA-N 1 2 364.445 2.813 20 30 FFEDLO COCc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)o1 ZINC001095725672 1017154355 /nfs/dbraw/zinc/15/43/55/1017154355.db2.gz QXMUXFINRZSPAQ-HOJAQTOUSA-N 1 2 364.445 2.813 20 30 FFEDLO CCCCC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001217306145 1032685007 /nfs/dbraw/zinc/68/50/07/1032685007.db2.gz PLBWKKSBBYTMQO-RBUKOAKNSA-N 1 2 360.885 2.793 20 30 FFEDLO CCCCC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001217306145 1032685017 /nfs/dbraw/zinc/68/50/17/1032685017.db2.gz PLBWKKSBBYTMQO-RBUKOAKNSA-N 1 2 360.885 2.793 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001097253295 1017251716 /nfs/dbraw/zinc/25/17/16/1017251716.db2.gz ATKJQXKNNLZGQX-ZTTMTSROSA-N 1 2 371.456 2.734 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001097253295 1017251724 /nfs/dbraw/zinc/25/17/24/1017251724.db2.gz ATKJQXKNNLZGQX-ZTTMTSROSA-N 1 2 371.456 2.734 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccsn2)C3)c(F)c1 ZINC001097306561 1017317678 /nfs/dbraw/zinc/31/76/78/1017317678.db2.gz LLEMEBUTBLHJSX-XYPHTWIQSA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccsn2)C3)c(F)c1 ZINC001097306561 1017317691 /nfs/dbraw/zinc/31/76/91/1017317691.db2.gz LLEMEBUTBLHJSX-XYPHTWIQSA-N 1 2 356.426 2.689 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(OCCOC)c3)[C@@H]2C1 ZINC001222041953 1032692635 /nfs/dbraw/zinc/69/26/35/1032692635.db2.gz OBHGNWZDHKEROC-SJLPKXTDSA-N 1 2 364.873 2.611 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(OCCOC)c3)[C@@H]2C1 ZINC001222041953 1032692647 /nfs/dbraw/zinc/69/26/47/1032692647.db2.gz OBHGNWZDHKEROC-SJLPKXTDSA-N 1 2 364.873 2.611 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)CCC(=O)N3)C2 ZINC001097488092 1017534230 /nfs/dbraw/zinc/53/42/30/1017534230.db2.gz NVPNNHRACYOOOE-OIISXLGYSA-N 1 2 359.857 2.659 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)CCC(=O)N3)C2 ZINC001097488092 1017534239 /nfs/dbraw/zinc/53/42/39/1017534239.db2.gz NVPNNHRACYOOOE-OIISXLGYSA-N 1 2 359.857 2.659 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ccc2[nH]ccc2n1 ZINC001097530681 1017573584 /nfs/dbraw/zinc/57/35/84/1017573584.db2.gz ADQYYJJQFIXYJJ-YHYVQYDKSA-N 1 2 370.456 2.950 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ccc2[nH]ccc2n1 ZINC001097530681 1017573594 /nfs/dbraw/zinc/57/35/94/1017573594.db2.gz ADQYYJJQFIXYJJ-YHYVQYDKSA-N 1 2 370.456 2.950 20 30 FFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925581828 1017795022 /nfs/dbraw/zinc/79/50/22/1017795022.db2.gz VTVHDHSHHPMCLC-LJQANCHMSA-N 1 2 358.486 2.591 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2c(C)nn(C)c2Cl)C1 ZINC001097806102 1017952198 /nfs/dbraw/zinc/95/21/98/1017952198.db2.gz XIWKKCWMXJZUOA-BMFZPTHFSA-N 1 2 362.905 2.960 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2c(C)nn(C)c2Cl)C1 ZINC001097806102 1017952210 /nfs/dbraw/zinc/95/22/10/1017952210.db2.gz XIWKKCWMXJZUOA-BMFZPTHFSA-N 1 2 362.905 2.960 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)c2ccccc2)C1 ZINC001097804879 1017952438 /nfs/dbraw/zinc/95/24/38/1017952438.db2.gz DTFVFSXVAMHQHS-QRVBRYPASA-N 1 2 367.493 2.727 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)c2ccccc2)C1 ZINC001097804879 1017952448 /nfs/dbraw/zinc/95/24/48/1017952448.db2.gz DTFVFSXVAMHQHS-QRVBRYPASA-N 1 2 367.493 2.727 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)[nH]1 ZINC001097867932 1018080135 /nfs/dbraw/zinc/08/01/35/1018080135.db2.gz RFYATRYGBRSKEM-NXHRZFHOSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)[nH]1 ZINC001097867932 1018080148 /nfs/dbraw/zinc/08/01/48/1018080148.db2.gz RFYATRYGBRSKEM-NXHRZFHOSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1cc(N2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC001052838725 1018109073 /nfs/dbraw/zinc/10/90/73/1018109073.db2.gz SJYBYFYHKNWCIW-CZUORRHYSA-N 1 2 366.469 2.611 20 30 FFEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CCNc1cccc(F)c1C#N ZINC001053423338 1018296429 /nfs/dbraw/zinc/29/64/29/1018296429.db2.gz LKVLHUUGUYMSKS-ZIAGYGMSSA-N 1 2 355.417 2.560 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@@H+]([C@H](C)c3ccc(F)c(F)c3)C[C@@H]21 ZINC001217493868 1032755935 /nfs/dbraw/zinc/75/59/35/1032755935.db2.gz QESUPCMCRXIFMG-JEBQAFNWSA-N 1 2 350.409 2.904 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@H+]([C@H](C)c3ccc(F)c(F)c3)C[C@@H]21 ZINC001217493868 1032755945 /nfs/dbraw/zinc/75/59/45/1032755945.db2.gz QESUPCMCRXIFMG-JEBQAFNWSA-N 1 2 350.409 2.904 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CCNc2[nH+]cnc3c2cnn3C)C1 ZINC001053505018 1018339961 /nfs/dbraw/zinc/33/99/61/1018339961.db2.gz SWJYQXXBAYRWED-STXHMFSFSA-N 1 2 370.501 2.862 20 30 FFEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927082472 1018352953 /nfs/dbraw/zinc/35/29/53/1018352953.db2.gz BAAJKCZVXWEJCA-HXUWFJFHSA-N 1 2 372.469 2.746 20 30 FFEDLO Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(Cl)cc2)n1 ZINC001096135400 1018784497 /nfs/dbraw/zinc/78/44/97/1018784497.db2.gz RIQGZCIMFAJOPA-SQNIBIBYSA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(Cl)cc2)n1 ZINC001096135400 1018784505 /nfs/dbraw/zinc/78/45/05/1018784505.db2.gz RIQGZCIMFAJOPA-SQNIBIBYSA-N 1 2 368.868 2.758 20 30 FFEDLO CCN(C(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)nc2)CC1)c1ccccc1 ZINC000801553271 1019105120 /nfs/dbraw/zinc/10/51/20/1019105120.db2.gz RJKJUPGTTOVITH-KRWDZBQOSA-N 1 2 363.465 2.517 20 30 FFEDLO Cc1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)c(C)n1 ZINC001096191094 1019292449 /nfs/dbraw/zinc/29/24/49/1019292449.db2.gz NZTGROGOMDGEEH-BVGQSLNGSA-N 1 2 367.478 2.562 20 30 FFEDLO Cc1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)c(C)n1 ZINC001096191094 1019292459 /nfs/dbraw/zinc/29/24/59/1019292459.db2.gz NZTGROGOMDGEEH-BVGQSLNGSA-N 1 2 367.478 2.562 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)c1ccco1 ZINC001110966937 1019383935 /nfs/dbraw/zinc/38/39/35/1019383935.db2.gz LHAYTDLYHAAZSH-VQHPVUNQSA-N 1 2 359.470 2.535 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)c1ccco1 ZINC001110966937 1019383953 /nfs/dbraw/zinc/38/39/53/1019383953.db2.gz LHAYTDLYHAAZSH-VQHPVUNQSA-N 1 2 359.470 2.535 20 30 FFEDLO COc1cc(C#N)ccc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000929395983 1019405340 /nfs/dbraw/zinc/40/53/40/1019405340.db2.gz XFENMPOBZNSZCN-UHFFFAOYSA-N 1 2 351.406 2.651 20 30 FFEDLO Cc1ccc(C#N)c(N[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C)n1 ZINC001043606571 1019536207 /nfs/dbraw/zinc/53/62/07/1019536207.db2.gz NOUWQOYUSUEMQL-KZULUSFZSA-N 1 2 360.421 2.711 20 30 FFEDLO Cc1cc(C(N)=[NH+]OCC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1F ZINC000148948192 1019581330 /nfs/dbraw/zinc/58/13/30/1019581330.db2.gz UBLUXQNGTAZAJL-UHFFFAOYSA-N 1 2 359.445 2.856 20 30 FFEDLO CCc1ncoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001095985592 1019701441 /nfs/dbraw/zinc/70/14/41/1019701441.db2.gz CYALEYDSOJEVOQ-NEWSRXKRSA-N 1 2 367.424 2.763 20 30 FFEDLO CCc1ncoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001095985592 1019701453 /nfs/dbraw/zinc/70/14/53/1019701453.db2.gz CYALEYDSOJEVOQ-NEWSRXKRSA-N 1 2 367.424 2.763 20 30 FFEDLO N#Cc1cc(CNc2ccc(N3CCN(C(=O)C4CC4)CC3)[nH+]c2)cs1 ZINC000902042382 1019751131 /nfs/dbraw/zinc/75/11/31/1019751131.db2.gz RJPPDDMOTWTRFO-UHFFFAOYSA-N 1 2 367.478 2.685 20 30 FFEDLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)CCCOC1 ZINC001098115865 1019860314 /nfs/dbraw/zinc/86/03/14/1019860314.db2.gz COCJIPUWOOZNOK-XWSHUIEDSA-N 1 2 370.468 2.715 20 30 FFEDLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)CCCOC1 ZINC001098115865 1019860326 /nfs/dbraw/zinc/86/03/26/1019860326.db2.gz COCJIPUWOOZNOK-XWSHUIEDSA-N 1 2 370.468 2.715 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncoc1C1CC1)C2 ZINC001096286439 1019884921 /nfs/dbraw/zinc/88/49/21/1019884921.db2.gz FARQKFBMLMIXBL-SQNIBIBYSA-N 1 2 362.433 2.959 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncoc1C1CC1)C2 ZINC001096286439 1019884933 /nfs/dbraw/zinc/88/49/33/1019884933.db2.gz FARQKFBMLMIXBL-SQNIBIBYSA-N 1 2 362.433 2.959 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001096035630 1020037271 /nfs/dbraw/zinc/03/72/71/1020037271.db2.gz JZGRPHANFMEBII-CJGGRQNCSA-N 1 2 369.440 2.510 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001096035630 1020037282 /nfs/dbraw/zinc/03/72/82/1020037282.db2.gz JZGRPHANFMEBII-CJGGRQNCSA-N 1 2 369.440 2.510 20 30 FFEDLO CC(C)n1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)cn1 ZINC001096326647 1020070920 /nfs/dbraw/zinc/07/09/20/1020070920.db2.gz VPDQXTYINFTAGB-HKBOAZHASA-N 1 2 362.477 2.851 20 30 FFEDLO CC(C)n1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)cn1 ZINC001096326647 1020070928 /nfs/dbraw/zinc/07/09/28/1020070928.db2.gz VPDQXTYINFTAGB-HKBOAZHASA-N 1 2 362.477 2.851 20 30 FFEDLO C#Cc1cccc(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)c1 ZINC000900060648 1020160561 /nfs/dbraw/zinc/16/05/61/1020160561.db2.gz IMMNPVHMNNHOKK-IBGZPJMESA-N 1 2 364.449 2.637 20 30 FFEDLO C#Cc1cccc(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)c1 ZINC000900060648 1020160564 /nfs/dbraw/zinc/16/05/64/1020160564.db2.gz IMMNPVHMNNHOKK-IBGZPJMESA-N 1 2 364.449 2.637 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](c4nc(C)no4)CC[C@H]32)c(C#N)c1 ZINC001137700888 1032881052 /nfs/dbraw/zinc/88/10/52/1032881052.db2.gz CUMCHLNXXPBVRR-KZNAEPCWSA-N 1 2 354.410 2.753 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]3O[C@@H](c4nc(C)no4)CC[C@H]32)c(C#N)c1 ZINC001137700888 1032881064 /nfs/dbraw/zinc/88/10/64/1032881064.db2.gz CUMCHLNXXPBVRR-KZNAEPCWSA-N 1 2 354.410 2.753 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110997865 1020175451 /nfs/dbraw/zinc/17/54/51/1020175451.db2.gz VCVJEIWMVUAMGN-LMCOJAPRSA-N 1 2 373.472 2.980 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110997865 1020175458 /nfs/dbraw/zinc/17/54/58/1020175458.db2.gz VCVJEIWMVUAMGN-LMCOJAPRSA-N 1 2 373.472 2.980 20 30 FFEDLO CC(C)C#CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H](C)c3cccc(Cl)c3)C[C@@H]21 ZINC001217839657 1032882028 /nfs/dbraw/zinc/88/20/28/1032882028.db2.gz OCUIGARLVFQEQJ-ZYSHUDEJSA-N 1 2 360.885 2.972 20 30 FFEDLO CC(C)C#CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H](C)c3cccc(Cl)c3)C[C@@H]21 ZINC001217839657 1032882042 /nfs/dbraw/zinc/88/20/42/1032882042.db2.gz OCUIGARLVFQEQJ-ZYSHUDEJSA-N 1 2 360.885 2.972 20 30 FFEDLO CC(C)C#CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H](C)c3ccc(Cl)cc3)C[C@@H]21 ZINC001217840304 1032884363 /nfs/dbraw/zinc/88/43/63/1032884363.db2.gz XHGVAMMSNNJXOQ-AYOQOUSVSA-N 1 2 360.885 2.972 20 30 FFEDLO CC(C)C#CC(=O)N1CCO[C@@H]2C[N@H+]([C@H](C)c3ccc(Cl)cc3)C[C@@H]21 ZINC001217840304 1032884374 /nfs/dbraw/zinc/88/43/74/1032884374.db2.gz XHGVAMMSNNJXOQ-AYOQOUSVSA-N 1 2 360.885 2.972 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)cc2F)nc1 ZINC001096372176 1020257994 /nfs/dbraw/zinc/25/79/94/1020257994.db2.gz HZIVXHKPPIFTNQ-UXPWSPDFSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)cc2F)nc1 ZINC001096372176 1020258003 /nfs/dbraw/zinc/25/80/03/1020258003.db2.gz HZIVXHKPPIFTNQ-UXPWSPDFSA-N 1 2 367.399 2.876 20 30 FFEDLO COc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001276386340 1020267722 /nfs/dbraw/zinc/26/77/22/1020267722.db2.gz YFXNAIWMKAQZTF-IBGZPJMESA-N 1 2 363.408 2.844 20 30 FFEDLO COc1cc(F)c(F)cc1C[N@H+]1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001276386340 1020267731 /nfs/dbraw/zinc/26/77/31/1020267731.db2.gz YFXNAIWMKAQZTF-IBGZPJMESA-N 1 2 363.408 2.844 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)sc2C)cn1 ZINC001096383142 1020306648 /nfs/dbraw/zinc/30/66/48/1020306648.db2.gz VPIHMFBOGMVOAN-AOIWGVFYSA-N 1 2 366.490 2.672 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)sc2C)cn1 ZINC001096383142 1020306655 /nfs/dbraw/zinc/30/66/55/1020306655.db2.gz VPIHMFBOGMVOAN-AOIWGVFYSA-N 1 2 366.490 2.672 20 30 FFEDLO COc1ccc(C[N@@H+]2CCCN(C(=O)Cc3ccccc3)CC2)c(C#N)c1 ZINC001137706001 1032891719 /nfs/dbraw/zinc/89/17/19/1032891719.db2.gz KHWKWUMCMUXPNE-UHFFFAOYSA-N 1 2 363.461 2.844 20 30 FFEDLO COc1ccc(C[N@H+]2CCCN(C(=O)Cc3ccccc3)CC2)c(C#N)c1 ZINC001137706001 1032891733 /nfs/dbraw/zinc/89/17/33/1032891733.db2.gz KHWKWUMCMUXPNE-UHFFFAOYSA-N 1 2 363.461 2.844 20 30 FFEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 ZINC000931147148 1020348055 /nfs/dbraw/zinc/34/80/55/1020348055.db2.gz UYFLRWJCAIVLIL-UHFFFAOYSA-N 1 2 370.449 2.517 20 30 FFEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)C1 ZINC001073050201 1020352194 /nfs/dbraw/zinc/35/21/94/1020352194.db2.gz OKCLQELRTZDUST-LSDHHAIUSA-N 1 2 353.304 2.866 20 30 FFEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)C1 ZINC001073050201 1020352205 /nfs/dbraw/zinc/35/22/05/1020352205.db2.gz OKCLQELRTZDUST-LSDHHAIUSA-N 1 2 353.304 2.866 20 30 FFEDLO C[C@H](C#N)OCCO[NH+]=C(N)c1ccc(COc2ccccc2F)cc1 ZINC000802730759 1020358223 /nfs/dbraw/zinc/35/82/23/1020358223.db2.gz ZDQUIPFGJSEPFQ-CQSZACIVSA-N 1 2 357.385 2.970 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CCCN(C(=O)Nc3ccn4cc[nH+]c4c3)C2)nc1 ZINC000931224619 1020381333 /nfs/dbraw/zinc/38/13/33/1020381333.db2.gz OIBODOSFYWAEFM-MRXNPFEDSA-N 1 2 361.409 2.709 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001048630893 1020381671 /nfs/dbraw/zinc/38/16/71/1020381671.db2.gz DSJQBEJDGBIHNM-DOTOQJQBSA-N 1 2 364.453 2.650 20 30 FFEDLO C[C@H]1C[N@H+](CCNC(=O)Nc2cccc(C#Cc3ccccc3)c2)CCO1 ZINC000726261521 1020447756 /nfs/dbraw/zinc/44/77/56/1020447756.db2.gz UOWZUTCAZDNELI-SFHVURJKSA-N 1 2 363.461 2.929 20 30 FFEDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2cccc(C#Cc3ccccc3)c2)CCO1 ZINC000726261521 1020447757 /nfs/dbraw/zinc/44/77/57/1020447757.db2.gz UOWZUTCAZDNELI-SFHVURJKSA-N 1 2 363.461 2.929 20 30 FFEDLO C[C@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)Cc2c[nH]nc21 ZINC000931458166 1020476452 /nfs/dbraw/zinc/47/64/52/1020476452.db2.gz CAHXHDPRJDVFGC-SWLSCSKDSA-N 1 2 358.405 2.566 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)Cc2c[nH]nc21 ZINC000931458166 1020476454 /nfs/dbraw/zinc/47/64/54/1020476454.db2.gz CAHXHDPRJDVFGC-SWLSCSKDSA-N 1 2 358.405 2.566 20 30 FFEDLO Cc1nc([C@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)no1 ZINC000931948457 1020641293 /nfs/dbraw/zinc/64/12/93/1020641293.db2.gz JLGACJPTHMTPLA-ZFWWWQNUSA-N 1 2 371.416 2.642 20 30 FFEDLO Cc1nc([C@H]2CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)no1 ZINC000931948457 1020641298 /nfs/dbraw/zinc/64/12/98/1020641298.db2.gz JLGACJPTHMTPLA-ZFWWWQNUSA-N 1 2 371.416 2.642 20 30 FFEDLO C[C@]1(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046500112 1020667339 /nfs/dbraw/zinc/66/73/39/1020667339.db2.gz WRRXOEAUGXTKLK-RMYQPGKMSA-N 1 2 371.456 2.593 20 30 FFEDLO C[C@]1(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046500112 1020667342 /nfs/dbraw/zinc/66/73/42/1020667342.db2.gz WRRXOEAUGXTKLK-RMYQPGKMSA-N 1 2 371.456 2.593 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccccc3oc1=O)C2 ZINC001098320971 1020821840 /nfs/dbraw/zinc/82/18/40/1020821840.db2.gz SMUUPDUBKYSCED-BMFZPTHFSA-N 1 2 358.825 2.881 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccccc3oc1=O)C2 ZINC001098320971 1020821850 /nfs/dbraw/zinc/82/18/50/1020821850.db2.gz SMUUPDUBKYSCED-BMFZPTHFSA-N 1 2 358.825 2.881 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2coc(CC)n2)C1 ZINC001098799340 1021157451 /nfs/dbraw/zinc/15/74/51/1021157451.db2.gz RSWNVOQQGSQOEO-LRDDRELGSA-N 1 2 368.275 2.730 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2coc(CC)n2)C1 ZINC001098799340 1021157452 /nfs/dbraw/zinc/15/74/52/1021157452.db2.gz RSWNVOQQGSQOEO-LRDDRELGSA-N 1 2 368.275 2.730 20 30 FFEDLO N#Cc1cc(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2coc(C4CC4)n2)C3)c[nH]1 ZINC001098801193 1021161072 /nfs/dbraw/zinc/16/10/72/1021161072.db2.gz LSPLFFZUNWARRR-YWZLYKJASA-N 1 2 365.437 2.536 20 30 FFEDLO N#Cc1cc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2coc(C4CC4)n2)C3)c[nH]1 ZINC001098801193 1021161077 /nfs/dbraw/zinc/16/10/77/1021161077.db2.gz LSPLFFZUNWARRR-YWZLYKJASA-N 1 2 365.437 2.536 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934490360 1021256076 /nfs/dbraw/zinc/25/60/76/1021256076.db2.gz KHGJRNDDLDWDKN-WBVHZDCISA-N 1 2 361.449 2.765 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934490360 1021256084 /nfs/dbraw/zinc/25/60/84/1021256084.db2.gz KHGJRNDDLDWDKN-WBVHZDCISA-N 1 2 361.449 2.765 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cc(C)nn2-c2ccccc2F)C1 ZINC001116541510 1021274404 /nfs/dbraw/zinc/27/44/04/1021274404.db2.gz GVYUUCQSPONFML-OAHLLOKOSA-N 1 2 358.417 2.535 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)Nc2cc(C)nn2-c2ccccc2F)C1 ZINC001116541510 1021274415 /nfs/dbraw/zinc/27/44/15/1021274415.db2.gz GVYUUCQSPONFML-OAHLLOKOSA-N 1 2 358.417 2.535 20 30 FFEDLO C=C(C)c1cccc(NC(=O)N2CC[NH+](CCc3cnccn3)CC2)c1 ZINC000934885059 1021445836 /nfs/dbraw/zinc/44/58/36/1021445836.db2.gz CFTYTEGIMVSABK-UHFFFAOYSA-N 1 2 351.454 2.902 20 30 FFEDLO CN1CCC[C@H](O[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)C1=O ZINC000778592836 1022144378 /nfs/dbraw/zinc/14/43/78/1022144378.db2.gz RWFZQZAFEAHYGG-SFHVURJKSA-N 1 2 353.422 2.523 20 30 FFEDLO N#Cc1ccccc1OCC[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000157962088 1022468572 /nfs/dbraw/zinc/46/85/72/1022468572.db2.gz MSMLPEJSUHVVQC-WOJBJXKFSA-N 1 2 352.434 2.762 20 30 FFEDLO N#Cc1ccccc1OCC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000157962088 1022468578 /nfs/dbraw/zinc/46/85/78/1022468578.db2.gz MSMLPEJSUHVVQC-WOJBJXKFSA-N 1 2 352.434 2.762 20 30 FFEDLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158191652 1022487499 /nfs/dbraw/zinc/48/74/99/1022487499.db2.gz JDEJRZRKJBERSU-ZDUSSCGKSA-N 1 2 371.412 2.617 20 30 FFEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cn3c(cccc3Cl)n1)CC2 ZINC001276778388 1033071113 /nfs/dbraw/zinc/07/11/13/1033071113.db2.gz DAHLLUJWVNRQBG-OAHLLOKOSA-N 1 2 358.873 2.892 20 30 FFEDLO C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001119316762 1022677790 /nfs/dbraw/zinc/67/77/90/1022677790.db2.gz FHVNVOKHUTYZGX-OAHLLOKOSA-N 1 2 360.421 2.886 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1C#N ZINC001038812170 1022717888 /nfs/dbraw/zinc/71/78/88/1022717888.db2.gz ZBAGUXGVWBPWPC-CEXWTWQISA-N 1 2 353.466 2.694 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1C#N ZINC001038812170 1022717904 /nfs/dbraw/zinc/71/79/04/1022717904.db2.gz ZBAGUXGVWBPWPC-CEXWTWQISA-N 1 2 353.466 2.694 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncc3ccccn31)C2 ZINC001095760231 1022757534 /nfs/dbraw/zinc/75/75/34/1022757534.db2.gz RDRLYPZFLPLEPE-HOJAQTOUSA-N 1 2 371.444 2.741 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncc3ccccn31)C2 ZINC001095760231 1022757544 /nfs/dbraw/zinc/75/75/44/1022757544.db2.gz RDRLYPZFLPLEPE-HOJAQTOUSA-N 1 2 371.444 2.741 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]21 ZINC001040829873 1023010815 /nfs/dbraw/zinc/01/08/15/1023010815.db2.gz IWUAYSUEZPRUTH-MLHJIOFPSA-N 1 2 370.497 2.537 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C3CC3)s1)C2 ZINC001111273248 1023116505 /nfs/dbraw/zinc/11/65/05/1023116505.db2.gz GTURCNAQOJWAOO-MIGQKNRLSA-N 1 2 373.522 2.651 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C3CC3)s1)C2 ZINC001111273248 1023116510 /nfs/dbraw/zinc/11/65/10/1023116510.db2.gz GTURCNAQOJWAOO-MIGQKNRLSA-N 1 2 373.522 2.651 20 30 FFEDLO CN1CCc2cc(C=[NH+]Nc3nc4c(cnn4C(C)(C)C)c(=O)[nH]3)ccc21 ZINC000752730228 1023197937 /nfs/dbraw/zinc/19/79/37/1023197937.db2.gz KLEFBOUHNYGWKB-UHFFFAOYSA-N 1 2 365.441 2.725 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@@H](C)C[C@@H](C)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001122395178 1023240606 /nfs/dbraw/zinc/24/06/06/1023240606.db2.gz KJYSRRMDVVVUFF-WWNBULGVSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@@H](C)C[C@@H](C)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001122395178 1023240608 /nfs/dbraw/zinc/24/06/08/1023240608.db2.gz KJYSRRMDVVVUFF-WWNBULGVSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC2(C[C@@H]1C)CCOCC2 ZINC001122399520 1023243979 /nfs/dbraw/zinc/24/39/79/1023243979.db2.gz CKNRPCICNDIRKI-INIZCTEOSA-N 1 2 370.501 2.574 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC2(CCCC2)C1 ZINC001122478176 1023295193 /nfs/dbraw/zinc/29/51/93/1023295193.db2.gz BUVIZWVTYNJMQH-UHFFFAOYSA-N 1 2 373.545 2.829 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001122623087 1023375477 /nfs/dbraw/zinc/37/54/77/1023375477.db2.gz PNAJKRRFJSXNEP-ZIAGYGMSSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001122623087 1023375483 /nfs/dbraw/zinc/37/54/83/1023375483.db2.gz PNAJKRRFJSXNEP-ZIAGYGMSSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001120680563 1023420711 /nfs/dbraw/zinc/42/07/11/1023420711.db2.gz TVDUURSQXMFXSJ-QBIMZIAESA-N 1 2 358.486 2.514 20 30 FFEDLO CN(c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@H]1CCCO1)C1CCC1 ZINC001122781573 1023469545 /nfs/dbraw/zinc/46/95/45/1023469545.db2.gz KJYOVGFMOPMUQB-GOSISDBHSA-N 1 2 372.517 2.539 20 30 FFEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)[C@H]2C1 ZINC000754796005 1023519781 /nfs/dbraw/zinc/51/97/81/1023519781.db2.gz LBUKHVDFIOWASW-YZGWKJHDSA-N 1 2 352.438 2.648 20 30 FFEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)[C@H]2C1 ZINC000754796005 1023519785 /nfs/dbraw/zinc/51/97/85/1023519785.db2.gz LBUKHVDFIOWASW-YZGWKJHDSA-N 1 2 352.438 2.648 20 30 FFEDLO CCCCN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@H]1CCOC1 ZINC001123230380 1023697943 /nfs/dbraw/zinc/69/79/43/1023697943.db2.gz JNYUNDHLMCDKGF-QGZVFWFLSA-N 1 2 374.533 2.644 20 30 FFEDLO C=CCO[C@H]1CCN(c2nnc([C@@H](C)[N@H+](C)Cc3ccccc3)n2C)C1 ZINC001121420130 1023763755 /nfs/dbraw/zinc/76/37/55/1023763755.db2.gz QWVSRAUVXHUUIX-AEFFLSMTSA-N 1 2 355.486 2.789 20 30 FFEDLO C=CCO[C@H]1CCN(c2nnc([C@@H](C)[N@@H+](C)Cc3ccccc3)n2C)C1 ZINC001121420130 1023763761 /nfs/dbraw/zinc/76/37/61/1023763761.db2.gz QWVSRAUVXHUUIX-AEFFLSMTSA-N 1 2 355.486 2.789 20 30 FFEDLO CC[C@@H]1C[N@H+](Cn2ccc(C)c(C#N)c2=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000758243294 1023990847 /nfs/dbraw/zinc/99/08/47/1023990847.db2.gz PINXWSNVBADSSU-WBVHZDCISA-N 1 2 374.485 2.611 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cn2ccc(C)c(C#N)c2=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000758243294 1023990861 /nfs/dbraw/zinc/99/08/61/1023990861.db2.gz PINXWSNVBADSSU-WBVHZDCISA-N 1 2 374.485 2.611 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001121799876 1024037872 /nfs/dbraw/zinc/03/78/72/1024037872.db2.gz BRNSQYIGJUGBJH-QGZVFWFLSA-N 1 2 374.533 2.642 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(CC)s3)C[C@@]2(C)C1 ZINC001101203258 1024084427 /nfs/dbraw/zinc/08/44/27/1024084427.db2.gz ODFWXDPFKNNTDP-BEFAXECRSA-N 1 2 360.527 2.574 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(CC)s3)C[C@@]2(C)C1 ZINC001101203258 1024084445 /nfs/dbraw/zinc/08/44/45/1024084445.db2.gz ODFWXDPFKNNTDP-BEFAXECRSA-N 1 2 360.527 2.574 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](Cc3nc(CC4CC4)no3)C[C@@]2(C)C1 ZINC001101254627 1024211055 /nfs/dbraw/zinc/21/10/55/1024211055.db2.gz VZMLSEXHSCAFAB-UZLBHIALSA-N 1 2 358.486 2.659 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3nc(CC4CC4)no3)C[C@@]2(C)C1 ZINC001101254627 1024211073 /nfs/dbraw/zinc/21/10/73/1024211073.db2.gz VZMLSEXHSCAFAB-UZLBHIALSA-N 1 2 358.486 2.659 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3oc(CC)nc3C)C[C@@H]21 ZINC001218516518 1033194811 /nfs/dbraw/zinc/19/48/11/1033194811.db2.gz CZGBDWOTIVNKMW-SOLBZPMBSA-N 1 2 361.486 2.559 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3oc(CC)nc3C)C[C@@H]21 ZINC001218516518 1033194814 /nfs/dbraw/zinc/19/48/14/1033194814.db2.gz CZGBDWOTIVNKMW-SOLBZPMBSA-N 1 2 361.486 2.559 20 30 FFEDLO N#Cc1cc(CN[C@]2(CO)CCC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000758715015 1024262301 /nfs/dbraw/zinc/26/23/01/1024262301.db2.gz DJXKVGMAVQTMRF-OAQYLSRUSA-N 1 2 353.441 2.814 20 30 FFEDLO N#Cc1cc(CN[C@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000758715015 1024262311 /nfs/dbraw/zinc/26/23/11/1024262311.db2.gz DJXKVGMAVQTMRF-OAQYLSRUSA-N 1 2 353.441 2.814 20 30 FFEDLO C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001124607435 1024351682 /nfs/dbraw/zinc/35/16/82/1024351682.db2.gz NFYQPHOIWMTNGH-MRXNPFEDSA-N 1 2 361.438 2.989 20 30 FFEDLO C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001124607435 1024351693 /nfs/dbraw/zinc/35/16/93/1024351693.db2.gz NFYQPHOIWMTNGH-MRXNPFEDSA-N 1 2 361.438 2.989 20 30 FFEDLO C=CC1(CC(=O)N2C[C@H]3C[N@@H+](Cc4nncn4C)C[C@@]3(C)C2)CCCCC1 ZINC001101390866 1024613379 /nfs/dbraw/zinc/61/33/79/1024613379.db2.gz SQNYSADNHMMQGB-XLIONFOSSA-N 1 2 371.529 2.622 20 30 FFEDLO C=CC1(CC(=O)N2C[C@H]3C[N@H+](Cc4nncn4C)C[C@@]3(C)C2)CCCCC1 ZINC001101390866 1024613387 /nfs/dbraw/zinc/61/33/87/1024613387.db2.gz SQNYSADNHMMQGB-XLIONFOSSA-N 1 2 371.529 2.622 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(s1)CC[C@@H](C)C3)C2 ZINC001111383402 1024636799 /nfs/dbraw/zinc/63/67/99/1024636799.db2.gz IOEXGQREUUIXGI-DDBAPUKQSA-N 1 2 372.534 2.858 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(s1)CC[C@@H](C)C3)C2 ZINC001111383402 1024636806 /nfs/dbraw/zinc/63/68/06/1024636806.db2.gz IOEXGQREUUIXGI-DDBAPUKQSA-N 1 2 372.534 2.858 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4ncnn4CC)C[C@@]3(C)C2)CCCC1 ZINC001101494700 1024879587 /nfs/dbraw/zinc/87/95/87/1024879587.db2.gz BTIBICFYSQTLGM-XLIONFOSSA-N 1 2 371.529 2.715 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4ncnn4CC)C[C@@]3(C)C2)CCCC1 ZINC001101494700 1024879599 /nfs/dbraw/zinc/87/95/99/1024879599.db2.gz BTIBICFYSQTLGM-XLIONFOSSA-N 1 2 371.529 2.715 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ncc(C(F)(F)F)cc1F ZINC001276857550 1033251341 /nfs/dbraw/zinc/25/13/41/1033251341.db2.gz NRKBSDQKUCETGZ-QGZVFWFLSA-N 1 2 369.362 2.830 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ncc(C(F)(F)F)cc1F ZINC001276857550 1033251343 /nfs/dbraw/zinc/25/13/43/1033251343.db2.gz NRKBSDQKUCETGZ-QGZVFWFLSA-N 1 2 369.362 2.830 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)cs2)cc1 ZINC001095854192 1025096105 /nfs/dbraw/zinc/09/61/05/1025096105.db2.gz PSMRGVOVICUIJE-SQNIBIBYSA-N 1 2 351.475 2.968 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)cs2)cc1 ZINC001095854192 1025096108 /nfs/dbraw/zinc/09/61/08/1025096108.db2.gz PSMRGVOVICUIJE-SQNIBIBYSA-N 1 2 351.475 2.968 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001101988226 1025252231 /nfs/dbraw/zinc/25/22/31/1025252231.db2.gz WVYYYYVNLQKDPI-KCPJHIHWSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001101988226 1025252238 /nfs/dbraw/zinc/25/22/38/1025252238.db2.gz WVYYYYVNLQKDPI-KCPJHIHWSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001101988226 1025252244 /nfs/dbraw/zinc/25/22/44/1025252244.db2.gz WVYYYYVNLQKDPI-KCPJHIHWSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001101988226 1025252250 /nfs/dbraw/zinc/25/22/50/1025252250.db2.gz WVYYYYVNLQKDPI-KCPJHIHWSA-N 1 2 357.351 2.643 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ncc(Cl)n2C)C[C@H]1C ZINC001102219423 1025601561 /nfs/dbraw/zinc/60/15/61/1025601561.db2.gz GOPFIVVGDOHDGA-ZIAGYGMSSA-N 1 2 352.910 2.860 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ncc(Cl)n2C)C[C@H]1C ZINC001102219423 1025601567 /nfs/dbraw/zinc/60/15/67/1025601567.db2.gz GOPFIVVGDOHDGA-ZIAGYGMSSA-N 1 2 352.910 2.860 20 30 FFEDLO CC(C)(C)OC(=O)N1CCN(Cc2cccc(-n3cc[nH+]c3)c2)[C@@H](C#N)C1 ZINC001141238247 1025654624 /nfs/dbraw/zinc/65/46/24/1025654624.db2.gz IXGSLIFDUXEQAD-SFHVURJKSA-N 1 2 367.453 2.817 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000956413063 1026853782 /nfs/dbraw/zinc/85/37/82/1026853782.db2.gz XWAAYCTWRRXHHR-HUUCEWRRSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000956413063 1026853791 /nfs/dbraw/zinc/85/37/91/1026853791.db2.gz XWAAYCTWRRXHHR-HUUCEWRRSA-N 1 2 358.486 2.613 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)[C@@H](C2CC2)[C@H]1C1CC1 ZINC000839979854 1026894586 /nfs/dbraw/zinc/89/45/86/1026894586.db2.gz HKUOEBFTCRNGMT-VQTJNVASSA-N 1 2 353.466 2.611 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)[C@@H](C2CC2)[C@H]1C1CC1 ZINC000839979854 1026894595 /nfs/dbraw/zinc/89/45/95/1026894595.db2.gz HKUOEBFTCRNGMT-VQTJNVASSA-N 1 2 353.466 2.611 20 30 FFEDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000840157857 1026989620 /nfs/dbraw/zinc/98/96/20/1026989620.db2.gz PHWUQSFAJUAXSJ-UHFFFAOYSA-N 1 2 355.442 2.836 20 30 FFEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000840157857 1026989625 /nfs/dbraw/zinc/98/96/25/1026989625.db2.gz PHWUQSFAJUAXSJ-UHFFFAOYSA-N 1 2 355.442 2.836 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2c(CC)cccc2CC)nn1 ZINC000640908914 1027021280 /nfs/dbraw/zinc/02/12/80/1027021280.db2.gz HINZRCWAVOZVIC-OAHLLOKOSA-N 1 2 353.470 2.716 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(=C)Br ZINC001158497002 1027045565 /nfs/dbraw/zinc/04/55/65/1027045565.db2.gz NOGPJBJSSOYASC-OAGGEKHMSA-N 1 2 371.319 2.799 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@H+](C)CC(=C)Br ZINC001158497002 1027045574 /nfs/dbraw/zinc/04/55/74/1027045574.db2.gz NOGPJBJSSOYASC-OAGGEKHMSA-N 1 2 371.319 2.799 20 30 FFEDLO N#Cc1ccnc(N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1F ZINC001158587016 1027068989 /nfs/dbraw/zinc/06/89/89/1027068989.db2.gz UMVVLOAOOPFLPT-DOTOQJQBSA-N 1 2 368.412 2.963 20 30 FFEDLO CSc1nc(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)ccc1C#N ZINC001141946004 1027199486 /nfs/dbraw/zinc/19/94/86/1027199486.db2.gz WATLWAHDHBRZNC-UKRRQHHQSA-N 1 2 360.483 2.726 20 30 FFEDLO CSc1nc(C[N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)ccc1C#N ZINC001141946004 1027199491 /nfs/dbraw/zinc/19/94/91/1027199491.db2.gz WATLWAHDHBRZNC-UKRRQHHQSA-N 1 2 360.483 2.726 20 30 FFEDLO C=CC(C)(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001103311989 1027206423 /nfs/dbraw/zinc/20/64/23/1027206423.db2.gz VPSBJRWNUGXCAH-VXGBXAGGSA-N 1 2 356.417 2.794 20 30 FFEDLO C=CC(C)(C)C(=O)NCC[C@@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001103311989 1027206429 /nfs/dbraw/zinc/20/64/29/1027206429.db2.gz VPSBJRWNUGXCAH-VXGBXAGGSA-N 1 2 356.417 2.794 20 30 FFEDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1nc(-c2cccs2)ccc1C#N ZINC001160695530 1027807995 /nfs/dbraw/zinc/80/79/95/1027807995.db2.gz FYKZJKMMXNYXQT-OAHLLOKOSA-N 1 2 367.434 2.611 20 30 FFEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1ncc(C)cc1C#C[Si](C)(C)C ZINC001160697144 1027810875 /nfs/dbraw/zinc/81/08/75/1027810875.db2.gz UHLKFNMJIRBHHK-KRWDZBQOSA-N 1 2 370.529 2.549 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1nccn1C(F)F ZINC001153441593 1027882684 /nfs/dbraw/zinc/88/26/84/1027882684.db2.gz DTSOFJFBOJOVSA-KFWWJZLASA-N 1 2 370.444 2.586 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccn1C(F)F ZINC001153441593 1027882700 /nfs/dbraw/zinc/88/27/00/1027882700.db2.gz DTSOFJFBOJOVSA-KFWWJZLASA-N 1 2 370.444 2.586 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](CN3C[C@H](C4CC4)CC3=O)CC2)c(F)c1 ZINC000795713714 1027946307 /nfs/dbraw/zinc/94/63/07/1027946307.db2.gz JZLZWNHJCZPBQZ-MRXNPFEDSA-N 1 2 357.429 2.757 20 30 FFEDLO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C(=O)C2(F)C[NH2+]C2)C1 ZINC001160994137 1027961444 /nfs/dbraw/zinc/96/14/44/1027961444.db2.gz NNWZSAYYCBIQJI-LJQANCHMSA-N 1 2 363.436 2.656 20 30 FFEDLO N#Cc1ccc2cc[nH+]c(NC3CCN(C(=O)[C@H]4CCCO4)CC3)c2c1 ZINC001161218119 1028075030 /nfs/dbraw/zinc/07/50/30/1028075030.db2.gz WSPNBKXTILMLAF-GOSISDBHSA-N 1 2 350.422 2.688 20 30 FFEDLO N#CCc1cc[nH+]c(NCc2cccc(N3CCCCS3(=O)=O)c2)c1 ZINC001162102113 1028433978 /nfs/dbraw/zinc/43/39/78/1028433978.db2.gz RVNWKSOQHYYIKS-UHFFFAOYSA-N 1 2 356.451 2.690 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc3sc(N4CCCC4)nc3s2)C1 ZINC001154958823 1028528631 /nfs/dbraw/zinc/52/86/31/1028528631.db2.gz JXZASVFVMLRFJL-ZDUSSCGKSA-N 1 2 374.535 2.785 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3sc(N4CCCC4)nc3s2)C1 ZINC001154958823 1028528638 /nfs/dbraw/zinc/52/86/38/1028528638.db2.gz JXZASVFVMLRFJL-ZDUSSCGKSA-N 1 2 374.535 2.785 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(F)(F)c2ccccc2Br)C1 ZINC001154959488 1028529205 /nfs/dbraw/zinc/52/92/05/1028529205.db2.gz SWGZRZZKQCXMEH-LBPRGKRZSA-N 1 2 371.225 2.755 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(F)(F)c2ccccc2Br)C1 ZINC001154959488 1028529209 /nfs/dbraw/zinc/52/92/09/1028529209.db2.gz SWGZRZZKQCXMEH-LBPRGKRZSA-N 1 2 371.225 2.755 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C[C@H]1C ZINC001206659857 1029064566 /nfs/dbraw/zinc/06/45/66/1029064566.db2.gz SNTVJFXEBDGDLU-HBUWYVDXSA-N 1 2 371.872 2.622 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C[C@H]1C ZINC001206659857 1029064586 /nfs/dbraw/zinc/06/45/86/1029064586.db2.gz SNTVJFXEBDGDLU-HBUWYVDXSA-N 1 2 371.872 2.622 20 30 FFEDLO Cc1ccccc1-c1cnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)o1 ZINC001206660140 1029067524 /nfs/dbraw/zinc/06/75/24/1029067524.db2.gz YBSZMGGPHSBHEK-ZMSDIMECSA-N 1 2 352.438 2.746 20 30 FFEDLO Cc1ccccc1-c1cnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)o1 ZINC001206660140 1029067537 /nfs/dbraw/zinc/06/75/37/1029067537.db2.gz YBSZMGGPHSBHEK-ZMSDIMECSA-N 1 2 352.438 2.746 20 30 FFEDLO C=CCOC(=O)N1CCC2(CN(c3[nH+]c(C)cc(C)c3C(=O)OC)C2)CC1 ZINC001163863717 1029096916 /nfs/dbraw/zinc/09/69/16/1029096916.db2.gz JBVKHKWTLTZFIY-UHFFFAOYSA-N 1 2 373.453 2.710 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(C#N)ccc1F)C2 ZINC001111672666 1029107572 /nfs/dbraw/zinc/10/75/72/1029107572.db2.gz HPNUWZLJYLZMBF-KKSFZXQISA-N 1 2 371.456 2.783 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(C#N)ccc1F)C2 ZINC001111672666 1029107580 /nfs/dbraw/zinc/10/75/80/1029107580.db2.gz HPNUWZLJYLZMBF-KKSFZXQISA-N 1 2 371.456 2.783 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccccc1F)C2 ZINC001111725430 1029242037 /nfs/dbraw/zinc/24/20/37/1029242037.db2.gz WGAJKFUPIVYPMC-KKSFZXQISA-N 1 2 371.456 2.538 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)Nc1ccccc1F)C2 ZINC001111725430 1029242050 /nfs/dbraw/zinc/24/20/50/1029242050.db2.gz WGAJKFUPIVYPMC-KKSFZXQISA-N 1 2 371.456 2.538 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2ccccc2F)nnc1Cl ZINC001164676045 1029351230 /nfs/dbraw/zinc/35/12/30/1029351230.db2.gz ZFYIRTZFYUHJSZ-SNVBAGLBSA-N 1 2 367.762 2.783 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(C(C)C)nn1)C2 ZINC001111761914 1029374496 /nfs/dbraw/zinc/37/44/96/1029374496.db2.gz RSIHYEQRPORJEK-JXFKEZNVSA-N 1 2 359.518 2.932 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(C(C)C)nn1)C2 ZINC001111761914 1029374506 /nfs/dbraw/zinc/37/45/06/1029374506.db2.gz RSIHYEQRPORJEK-JXFKEZNVSA-N 1 2 359.518 2.932 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2ccc3cncc(Br)c3c2)CC1 ZINC001157197395 1029501982 /nfs/dbraw/zinc/50/19/82/1029501982.db2.gz XAFLYSYOONCLMT-UHFFFAOYSA-N 1 2 360.255 2.941 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C3CC3)o1)C2 ZINC001111845886 1029609470 /nfs/dbraw/zinc/60/94/70/1029609470.db2.gz FLOZAWKIRCWRNQ-JXFKEZNVSA-N 1 2 356.470 2.611 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C3CC3)o1)C2 ZINC001111845886 1029609474 /nfs/dbraw/zinc/60/94/74/1029609474.db2.gz FLOZAWKIRCWRNQ-JXFKEZNVSA-N 1 2 356.470 2.611 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nn(CC)nc1C)C2 ZINC001111848310 1029612402 /nfs/dbraw/zinc/61/24/02/1029612402.db2.gz BOJKAJKYTCELGH-KNBMTAEXSA-N 1 2 359.518 2.679 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nn(CC)nc1C)C2 ZINC001111848310 1029612409 /nfs/dbraw/zinc/61/24/09/1029612409.db2.gz BOJKAJKYTCELGH-KNBMTAEXSA-N 1 2 359.518 2.679 20 30 FFEDLO N#C[C@@H](c1ccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)nn1)c1ccccc1F ZINC001157586155 1029622835 /nfs/dbraw/zinc/62/28/35/1029622835.db2.gz SRQFUJANOYZZDS-RHSMWYFYSA-N 1 2 367.428 2.546 20 30 FFEDLO N#C[C@@H](c1ccc(N[C@@H]2CCC[N@H+](C3COC3)C2)nn1)c1ccccc1F ZINC001157586155 1029622846 /nfs/dbraw/zinc/62/28/46/1029622846.db2.gz SRQFUJANOYZZDS-RHSMWYFYSA-N 1 2 367.428 2.546 20 30 FFEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCC[C@H](Oc4ccc(C(N)=O)cc4)C3)c12 ZINC001158456503 1029833807 /nfs/dbraw/zinc/83/38/07/1029833807.db2.gz MIFWHWKQCSRBNY-INIZCTEOSA-N 1 2 361.405 2.581 20 30 FFEDLO Cc1cc(C#N)c(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)nc1C ZINC001165690612 1030086289 /nfs/dbraw/zinc/08/62/89/1030086289.db2.gz FWQGSVPTMLBUDY-KRWDZBQOSA-N 1 2 351.454 2.830 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nccn2C)C1 ZINC001112152494 1030107993 /nfs/dbraw/zinc/10/79/93/1030107993.db2.gz ZEVVFLFYKRFGEI-BFHYXJOUSA-N 1 2 358.408 2.501 20 30 FFEDLO N#Cc1c[nH]c2nc(N3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)ccc12 ZINC001165988000 1030191440 /nfs/dbraw/zinc/19/14/40/1030191440.db2.gz YNRNQZPMPNTIJA-UHFFFAOYSA-N 1 2 374.448 2.705 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000783786285 1030277057 /nfs/dbraw/zinc/27/70/57/1030277057.db2.gz VNSICKXWVCSMCW-WOJBJXKFSA-N 1 2 357.498 2.819 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12CN(c1nc(N3CCCC3)c(C)c[nH+]1)CCO2 ZINC001166364529 1030385126 /nfs/dbraw/zinc/38/51/26/1030385126.db2.gz QJDOYGGMCBQGHL-WIYYLYMNSA-N 1 2 372.513 2.963 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(C(=O)OC)cc1 ZINC001204149188 1031130733 /nfs/dbraw/zinc/13/07/33/1031130733.db2.gz QMUDXIHUSCYNOA-GOSISDBHSA-N 1 2 355.438 2.509 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(C(=O)OC)cc1 ZINC001204149188 1031130741 /nfs/dbraw/zinc/13/07/41/1031130741.db2.gz QMUDXIHUSCYNOA-GOSISDBHSA-N 1 2 355.438 2.509 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2Cc3nccn3C[C@H](Cn3cccn3)C2)cc1 ZINC001204300888 1031216719 /nfs/dbraw/zinc/21/67/19/1031216719.db2.gz WHYOWEFAECOIJG-LJQANCHMSA-N 1 2 363.465 2.977 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2Cc3nccn3C[C@H](Cn3cccn3)C2)cc1 ZINC001204300888 1031216737 /nfs/dbraw/zinc/21/67/37/1031216737.db2.gz WHYOWEFAECOIJG-LJQANCHMSA-N 1 2 363.465 2.977 20 30 FFEDLO N#Cc1cnn2cc(C[NH+]3CCC(O)(c4ccccc4Cl)CC3)cnc12 ZINC000843406118 1031382688 /nfs/dbraw/zinc/38/26/88/1031382688.db2.gz LBEKYLFDMMEKEQ-UHFFFAOYSA-N 1 2 367.840 2.738 20 30 FFEDLO N#Cc1cc(C[N@H+]2Cc3cncn3C[C@@H](COCC3CC3)C2)ccc1F ZINC001205467071 1031767043 /nfs/dbraw/zinc/76/70/43/1031767043.db2.gz HTVJKFYAFCNLBN-KRWDZBQOSA-N 1 2 354.429 2.952 20 30 FFEDLO N#Cc1cc(C[N@@H+]2Cc3cncn3C[C@@H](COCC3CC3)C2)ccc1F ZINC001205467071 1031767053 /nfs/dbraw/zinc/76/70/53/1031767053.db2.gz HTVJKFYAFCNLBN-KRWDZBQOSA-N 1 2 354.429 2.952 20 30 FFEDLO CC(C)(C)c1csc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1C#N ZINC001205528619 1031813473 /nfs/dbraw/zinc/81/34/73/1031813473.db2.gz OIVYDJIDIGVKHH-BETUJISGSA-N 1 2 362.499 2.902 20 30 FFEDLO CC(C)(C)c1csc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1C#N ZINC001205528619 1031813481 /nfs/dbraw/zinc/81/34/81/1031813481.db2.gz OIVYDJIDIGVKHH-BETUJISGSA-N 1 2 362.499 2.902 20 30 FFEDLO C#CCC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1c1ccccc1F ZINC001205614945 1031872811 /nfs/dbraw/zinc/87/28/11/1031872811.db2.gz NCPRALUPQAKLSJ-CFVMTHIKSA-N 1 2 360.326 2.633 20 30 FFEDLO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1c1ccccc1F ZINC001205614945 1031872827 /nfs/dbraw/zinc/87/28/27/1031872827.db2.gz NCPRALUPQAKLSJ-CFVMTHIKSA-N 1 2 360.326 2.633 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(cnn3[C@H]3CCCCO3)c2)CC1 ZINC001151575935 1031989463 /nfs/dbraw/zinc/98/94/63/1031989463.db2.gz CFOZNVYUOKUNHZ-LJQANCHMSA-N 1 2 354.454 2.679 20 30 FFEDLO CCCCCC[C@H](C)CC(=O)N1CCO[C@@H]2C[N@H+](CC#CCOC)C[C@@H]21 ZINC001218946866 1033421480 /nfs/dbraw/zinc/42/14/80/1033421480.db2.gz XMPUUDHMZCHXDD-SLFFLAALSA-N 1 2 364.530 2.544 20 30 FFEDLO CCCCCC[C@H](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]21 ZINC001218946866 1033421485 /nfs/dbraw/zinc/42/14/85/1033421485.db2.gz XMPUUDHMZCHXDD-SLFFLAALSA-N 1 2 364.530 2.544 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2coc(-c3ccc(F)cc3)n2)C1=O ZINC001276900555 1033495308 /nfs/dbraw/zinc/49/53/08/1033495308.db2.gz BCODPJWOGYMYCZ-FQEVSTJZSA-N 1 2 353.397 2.681 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2coc(-c3ccc(F)cc3)n2)C1=O ZINC001276900555 1033495313 /nfs/dbraw/zinc/49/53/13/1033495313.db2.gz BCODPJWOGYMYCZ-FQEVSTJZSA-N 1 2 353.397 2.681 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c(F)cc(C)cc1F)C2 ZINC001276906826 1033529400 /nfs/dbraw/zinc/52/94/00/1033529400.db2.gz NFPKIAAOHOLVAW-LJQANCHMSA-N 1 2 350.409 2.510 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1c(F)cc(C)cc1F)C2 ZINC001276906826 1033529405 /nfs/dbraw/zinc/52/94/05/1033529405.db2.gz NFPKIAAOHOLVAW-LJQANCHMSA-N 1 2 350.409 2.510 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(C(C)C)o3)[C@H]2C1 ZINC001224280360 1033823096 /nfs/dbraw/zinc/82/30/96/1033823096.db2.gz GLYVIEKKXMCWBP-SJORKVTESA-N 1 2 361.486 2.814 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(C(C)C)o3)[C@H]2C1 ZINC001224280360 1033823106 /nfs/dbraw/zinc/82/31/06/1033823106.db2.gz GLYVIEKKXMCWBP-SJORKVTESA-N 1 2 361.486 2.814 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cnc(F)cc1Cl ZINC001277010084 1034074702 /nfs/dbraw/zinc/07/47/02/1034074702.db2.gz SUKSXRQXFPPVNK-HUUCEWRRSA-N 1 2 350.825 2.743 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnc(F)cc1Cl ZINC001277010084 1034074711 /nfs/dbraw/zinc/07/47/11/1034074711.db2.gz SUKSXRQXFPPVNK-HUUCEWRRSA-N 1 2 350.825 2.743 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccc2Cl)C[C@@H]1O ZINC001220293888 1034105905 /nfs/dbraw/zinc/10/59/05/1034105905.db2.gz YBEYKHNOUCWXAZ-ZIFCJYIRSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccc2Cl)C[C@@H]1O ZINC001220293888 1034105912 /nfs/dbraw/zinc/10/59/12/1034105912.db2.gz YBEYKHNOUCWXAZ-ZIFCJYIRSA-N 1 2 366.889 2.612 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2CCN3C(=O)c4ccccc4[C@H]3C2)cc1OC ZINC001138344151 1034175160 /nfs/dbraw/zinc/17/51/60/1034175160.db2.gz ZAMJYDILPDTPGA-LJQANCHMSA-N 1 2 362.429 2.720 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2CCN3C(=O)c4ccccc4[C@H]3C2)cc1OC ZINC001138344151 1034175163 /nfs/dbraw/zinc/17/51/63/1034175163.db2.gz ZAMJYDILPDTPGA-LJQANCHMSA-N 1 2 362.429 2.720 20 30 FFEDLO CCc1ccc2c(C[NH+]3CCC(C#N)(C(=O)OC)CC3)cc(=O)oc2c1 ZINC000831695475 1034216308 /nfs/dbraw/zinc/21/63/08/1034216308.db2.gz RMIUQLOXDNECTN-UHFFFAOYSA-N 1 2 354.406 2.634 20 30 FFEDLO CCCCCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001220588753 1034270718 /nfs/dbraw/zinc/27/07/18/1034270718.db2.gz KBLDYHPJBQCADL-OLMNPRSZSA-N 1 2 363.527 2.888 20 30 FFEDLO CCCCCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001220588753 1034270732 /nfs/dbraw/zinc/27/07/32/1034270732.db2.gz KBLDYHPJBQCADL-OLMNPRSZSA-N 1 2 363.527 2.888 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001221441565 1034766337 /nfs/dbraw/zinc/76/63/37/1034766337.db2.gz LMDFUSZZYBDYSR-CXAGYDPISA-N 1 2 352.837 2.714 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001221441565 1034766349 /nfs/dbraw/zinc/76/63/49/1034766349.db2.gz LMDFUSZZYBDYSR-CXAGYDPISA-N 1 2 352.837 2.714 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3)C[C@H]21 ZINC001221493693 1034819303 /nfs/dbraw/zinc/81/93/03/1034819303.db2.gz DECQJSMGRUCYBH-QWFCFKBJSA-N 1 2 367.493 2.740 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3)C[C@H]21 ZINC001221493693 1034819312 /nfs/dbraw/zinc/81/93/12/1034819312.db2.gz DECQJSMGRUCYBH-QWFCFKBJSA-N 1 2 367.493 2.740 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccc(CC)cc3)C[C@H]21 ZINC001221514235 1034832276 /nfs/dbraw/zinc/83/22/76/1034832276.db2.gz OMDRVWPIXDPYKO-UYAOXDASSA-N 1 2 367.493 2.524 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccc(CC)cc3)C[C@H]21 ZINC001221514235 1034832284 /nfs/dbraw/zinc/83/22/84/1034832284.db2.gz OMDRVWPIXDPYKO-UYAOXDASSA-N 1 2 367.493 2.524 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccc(C)c(C)c3)C[C@H]21 ZINC001221514021 1034832301 /nfs/dbraw/zinc/83/23/01/1034832301.db2.gz DSWLBLDELLYAMW-UYAOXDASSA-N 1 2 367.493 2.578 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccc(C)c(C)c3)C[C@H]21 ZINC001221514021 1034832310 /nfs/dbraw/zinc/83/23/10/1034832310.db2.gz DSWLBLDELLYAMW-UYAOXDASSA-N 1 2 367.493 2.578 20 30 FFEDLO COC1(CC(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)CCC1 ZINC001221516068 1034832465 /nfs/dbraw/zinc/83/24/65/1034832465.db2.gz CMRWCYZEBISWMS-VQIMIIECSA-N 1 2 371.456 2.689 20 30 FFEDLO COC1(CC(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)CCC1 ZINC001221516068 1034832473 /nfs/dbraw/zinc/83/24/73/1034832473.db2.gz CMRWCYZEBISWMS-VQIMIIECSA-N 1 2 371.456 2.689 20 30 FFEDLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]3CN(C(=O)C#CC(C)C)[C@@H]3C2)c1 ZINC001221530803 1034849496 /nfs/dbraw/zinc/84/94/96/1034849496.db2.gz ZXTDATXUEKCEQB-QWFCFKBJSA-N 1 2 367.493 2.514 20 30 FFEDLO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]3CN(C(=O)C#CC(C)C)[C@@H]3C2)c1 ZINC001221530803 1034849505 /nfs/dbraw/zinc/84/95/05/1034849505.db2.gz ZXTDATXUEKCEQB-QWFCFKBJSA-N 1 2 367.493 2.514 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3)C[C@H]21 ZINC001221538755 1034857763 /nfs/dbraw/zinc/85/77/63/1034857763.db2.gz APKSRXBPSXDERF-DDUZABMNSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(Cl)c3)C[C@H]21 ZINC001221538755 1034857766 /nfs/dbraw/zinc/85/77/66/1034857766.db2.gz APKSRXBPSXDERF-DDUZABMNSA-N 1 2 364.848 2.550 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)c(O)c1)C2 ZINC001277160640 1034864715 /nfs/dbraw/zinc/86/47/15/1034864715.db2.gz HMKSPFYRTKFFIA-LJQANCHMSA-N 1 2 364.873 2.673 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)c(O)c1)C2 ZINC001277160640 1034864716 /nfs/dbraw/zinc/86/47/16/1034864716.db2.gz HMKSPFYRTKFFIA-LJQANCHMSA-N 1 2 364.873 2.673 20 30 FFEDLO CCO[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21)C1CC1 ZINC001221558715 1034875252 /nfs/dbraw/zinc/87/52/52/1034875252.db2.gz LEWZHWZPKBPQJQ-HMXCVIKNSA-N 1 2 370.468 2.525 20 30 FFEDLO CCO[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21)C1CC1 ZINC001221558715 1034875260 /nfs/dbraw/zinc/87/52/60/1034875260.db2.gz LEWZHWZPKBPQJQ-HMXCVIKNSA-N 1 2 370.468 2.525 20 30 FFEDLO C=CCOc1ccccc1C[N@H+]1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001139032328 1034897872 /nfs/dbraw/zinc/89/78/72/1034897872.db2.gz KDQBQDCFRMCKOX-GOSISDBHSA-N 1 2 363.465 2.977 20 30 FFEDLO C=CCOc1ccccc1C[N@@H+]1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001139032328 1034897877 /nfs/dbraw/zinc/89/78/77/1034897877.db2.gz KDQBQDCFRMCKOX-GOSISDBHSA-N 1 2 363.465 2.977 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1C[C@H]2CC[N@H+](Cc3cncc(F)c3)C[C@H]21)OCC ZINC001221586201 1034898231 /nfs/dbraw/zinc/89/82/31/1034898231.db2.gz DZXFSNCOTZUUTQ-QRQLOZEOSA-N 1 2 361.461 2.625 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1C[C@H]2CC[N@@H+](Cc3cncc(F)c3)C[C@H]21)OCC ZINC001221586201 1034898238 /nfs/dbraw/zinc/89/82/38/1034898238.db2.gz DZXFSNCOTZUUTQ-QRQLOZEOSA-N 1 2 361.461 2.625 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4nc(C)sc4C)C[C@H]32)CCC1 ZINC001221611865 1034920045 /nfs/dbraw/zinc/92/00/45/1034920045.db2.gz LVDUVNZBIVMAPO-SJLPKXTDSA-N 1 2 357.523 2.986 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4nc(C)sc4C)C[C@H]32)CCC1 ZINC001221611865 1034920049 /nfs/dbraw/zinc/92/00/49/1034920049.db2.gz LVDUVNZBIVMAPO-SJLPKXTDSA-N 1 2 357.523 2.986 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c(o3)c(F)ccc4C)[C@@H]2C1 ZINC001221706125 1034998490 /nfs/dbraw/zinc/99/84/90/1034998490.db2.gz GQFBLLNRQVTRBG-CRAIPNDOSA-N 1 2 370.424 2.676 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c(o3)c(F)ccc4C)[C@@H]2C1 ZINC001221706125 1034998495 /nfs/dbraw/zinc/99/84/95/1034998495.db2.gz GQFBLLNRQVTRBG-CRAIPNDOSA-N 1 2 370.424 2.676 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)CCC(C)C)C[C@H]21 ZINC001221735774 1035027792 /nfs/dbraw/zinc/02/77/92/1035027792.db2.gz VUIMHINPKGTQEZ-RCCFBDPRSA-N 1 2 363.546 2.672 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@@H](C)CCC(C)C)C[C@H]21 ZINC001221735774 1035027803 /nfs/dbraw/zinc/02/78/03/1035027803.db2.gz VUIMHINPKGTQEZ-RCCFBDPRSA-N 1 2 363.546 2.672 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001221760413 1035045714 /nfs/dbraw/zinc/04/57/14/1035045714.db2.gz FIHYAKROKKKZBW-SQWLQELKSA-N 1 2 366.456 2.993 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001221760413 1035045724 /nfs/dbraw/zinc/04/57/24/1035045724.db2.gz FIHYAKROKKKZBW-SQWLQELKSA-N 1 2 366.456 2.993 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(CC)c3ccccc3)C[C@H]21 ZINC001221784008 1035066616 /nfs/dbraw/zinc/06/66/16/1035066616.db2.gz ZXWZXHLTAICILB-UYAOXDASSA-N 1 2 369.509 2.929 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N(CC)c3ccccc3)C[C@H]21 ZINC001221784008 1035066623 /nfs/dbraw/zinc/06/66/23/1035066623.db2.gz ZXWZXHLTAICILB-UYAOXDASSA-N 1 2 369.509 2.929 20 30 FFEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cnc(C)nc1C(F)(F)F)CC2 ZINC001276399812 1035102858 /nfs/dbraw/zinc/10/28/58/1035102858.db2.gz XFUHLOFGWZKQIE-CQSZACIVSA-N 1 2 368.403 2.708 20 30 FFEDLO Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3ccsc3)[C@H]3COC[C@H]32)cc1C#N ZINC001139725224 1035209028 /nfs/dbraw/zinc/20/90/28/1035209028.db2.gz HQTUZFJVABBUJC-GUDVDZBRSA-N 1 2 367.474 2.557 20 30 FFEDLO Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3ccsc3)[C@H]3COC[C@H]32)cc1C#N ZINC001139725224 1035209031 /nfs/dbraw/zinc/20/90/31/1035209031.db2.gz HQTUZFJVABBUJC-GUDVDZBRSA-N 1 2 367.474 2.557 20 30 FFEDLO C=CCn1cc(C[N@@H+]2Cc3nn(CC4CC4)cc3[C@H](COCC)C2)cn1 ZINC001139769642 1035225370 /nfs/dbraw/zinc/22/53/70/1035225370.db2.gz MCFOMDWWJRSTLY-SFHVURJKSA-N 1 2 355.486 2.812 20 30 FFEDLO C=CCn1cc(C[N@H+]2Cc3nn(CC4CC4)cc3[C@H](COCC)C2)cn1 ZINC001139769642 1035225372 /nfs/dbraw/zinc/22/53/72/1035225372.db2.gz MCFOMDWWJRSTLY-SFHVURJKSA-N 1 2 355.486 2.812 20 30 FFEDLO C=CCn1cc(C[N@H+]2Cc3c(cnn3CC)[C@H](COCC3CC3)C2)cn1 ZINC001139767815 1035225389 /nfs/dbraw/zinc/22/53/89/1035225389.db2.gz BPQVINKWKDUMTM-SFHVURJKSA-N 1 2 355.486 2.812 20 30 FFEDLO C=CCn1cc(C[N@@H+]2Cc3c(cnn3CC)[C@H](COCC3CC3)C2)cn1 ZINC001139767815 1035225390 /nfs/dbraw/zinc/22/53/90/1035225390.db2.gz BPQVINKWKDUMTM-SFHVURJKSA-N 1 2 355.486 2.812 20 30 FFEDLO C=CCn1cc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)cn1 ZINC001139771572 1035226723 /nfs/dbraw/zinc/22/67/23/1035226723.db2.gz HPPJCWUEVWSKQZ-PZJWPPBQSA-N 1 2 368.481 2.914 20 30 FFEDLO C=CCn1cc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)cn1 ZINC001139771572 1035226727 /nfs/dbraw/zinc/22/67/27/1035226727.db2.gz HPPJCWUEVWSKQZ-PZJWPPBQSA-N 1 2 368.481 2.914 20 30 FFEDLO C=CCn1cc(C[NH+]2CCN(c3cc(C)nn3-c3ccccc3)CC2)cn1 ZINC001139771389 1035226854 /nfs/dbraw/zinc/22/68/54/1035226854.db2.gz YMHTZNXLUQTVOS-UHFFFAOYSA-N 1 2 362.481 2.885 20 30 FFEDLO N#Cc1ccc2[nH]cc(C[NH+]3CCN(C(=O)c4ccc(O)cc4)CC3)c2c1 ZINC001140117738 1035347229 /nfs/dbraw/zinc/34/72/29/1035347229.db2.gz XVNDYSSQYHTHDG-UHFFFAOYSA-N 1 2 360.417 2.703 20 30 FFEDLO COc1cccc(-c2ncc(C[N@@H+]3CC[C@H]4SC(=O)C=C4C3)cn2)c1 ZINC001140194812 1035375493 /nfs/dbraw/zinc/37/54/93/1035375493.db2.gz IPKDZWKSOGTHHK-QGZVFWFLSA-N 1 2 353.447 2.926 20 30 FFEDLO COc1cccc(-c2ncc(C[N@H+]3CC[C@H]4SC(=O)C=C4C3)cn2)c1 ZINC001140194812 1035375499 /nfs/dbraw/zinc/37/54/99/1035375499.db2.gz IPKDZWKSOGTHHK-QGZVFWFLSA-N 1 2 353.447 2.926 20 30 FFEDLO CSc1ncc(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)c(N)n1 ZINC001140252541 1035400557 /nfs/dbraw/zinc/40/05/57/1035400557.db2.gz RAGPGHVZQIMYJN-INIZCTEOSA-N 1 2 355.467 2.696 20 30 FFEDLO CSc1ncc(C[N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)c(N)n1 ZINC001140252541 1035400561 /nfs/dbraw/zinc/40/05/61/1035400561.db2.gz RAGPGHVZQIMYJN-INIZCTEOSA-N 1 2 355.467 2.696 20 30 FFEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(C[C@H]2C(=O)N2CCOCC2)CC1 ZINC001232607093 1035862146 /nfs/dbraw/zinc/86/21/46/1035862146.db2.gz HJBHYSRODSJPDN-SFHVURJKSA-N 1 2 373.884 2.673 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)c1 ZINC001232676445 1035933219 /nfs/dbraw/zinc/93/32/19/1035933219.db2.gz JWGNQVIZTXUEPV-LJQANCHMSA-N 1 2 353.447 2.954 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)c1 ZINC001232676445 1035933237 /nfs/dbraw/zinc/93/32/37/1035933237.db2.gz JWGNQVIZTXUEPV-LJQANCHMSA-N 1 2 353.447 2.954 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)c1 ZINC001232677345 1035935110 /nfs/dbraw/zinc/93/51/10/1035935110.db2.gz LHUVXSOGSHITHB-QGZVFWFLSA-N 1 2 352.438 2.519 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)c1 ZINC001232677345 1035935120 /nfs/dbraw/zinc/93/51/20/1035935120.db2.gz LHUVXSOGSHITHB-QGZVFWFLSA-N 1 2 352.438 2.519 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001232890987 1036132717 /nfs/dbraw/zinc/13/27/17/1036132717.db2.gz TYKHRSYZFSTYEC-XLIONFOSSA-N 1 2 353.397 2.620 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001232890987 1036132721 /nfs/dbraw/zinc/13/27/21/1036132721.db2.gz TYKHRSYZFSTYEC-XLIONFOSSA-N 1 2 353.397 2.620 20 30 FFEDLO N#Cc1cc(C[NH+]2CCC(N3CCCC3=O)CC2)ccc1Br ZINC001232897364 1036136320 /nfs/dbraw/zinc/13/63/20/1036136320.db2.gz HQEDHJCDMKVDEE-UHFFFAOYSA-N 1 2 362.271 2.908 20 30 FFEDLO CSc1ncc(C#N)c(O[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC001228681596 1036252934 /nfs/dbraw/zinc/25/29/34/1036252934.db2.gz MLPQJFUEFCKYNO-RHSMWYFYSA-N 1 2 370.478 2.738 20 30 FFEDLO CSc1ncc(C#N)c(O[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC001228681596 1036252954 /nfs/dbraw/zinc/25/29/54/1036252954.db2.gz MLPQJFUEFCKYNO-RHSMWYFYSA-N 1 2 370.478 2.738 20 30 FFEDLO CN(C)c1ccc(C[NH+]2CCN(c3cccc(O)c3)CC2)c(F)c1C#N ZINC001233102405 1036349575 /nfs/dbraw/zinc/34/95/75/1036349575.db2.gz YHOYRBCNNZHYLS-UHFFFAOYSA-N 1 2 354.429 2.791 20 30 FFEDLO COc1cc(C[N@@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)cc(F)c1F ZINC001277347122 1036446768 /nfs/dbraw/zinc/44/67/68/1036446768.db2.gz QZZWBLASPXRQPG-IBGZPJMESA-N 1 2 363.408 2.844 20 30 FFEDLO COc1cc(C[N@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)cc(F)c1F ZINC001277347122 1036446775 /nfs/dbraw/zinc/44/67/75/1036446775.db2.gz QZZWBLASPXRQPG-IBGZPJMESA-N 1 2 363.408 2.844 20 30 FFEDLO CN(C)c1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(Cl)c1 ZINC001140925297 1036464274 /nfs/dbraw/zinc/46/42/74/1036464274.db2.gz RDKCDBJWBJRSHW-UHFFFAOYSA-N 1 2 355.873 2.995 20 30 FFEDLO C[N@@H+]1CCO[C@H](COc2ccccc2/C=N/N=C/c2ccccc2O)C1 ZINC001229293281 1036599390 /nfs/dbraw/zinc/59/93/90/1036599390.db2.gz BZTGHZCDEUTKHG-JRHGXDBASA-N 1 2 353.422 2.555 20 30 FFEDLO C[N@H+]1CCO[C@H](COc2ccccc2/C=N/N=C/c2ccccc2O)C1 ZINC001229293281 1036599395 /nfs/dbraw/zinc/59/93/95/1036599395.db2.gz BZTGHZCDEUTKHG-JRHGXDBASA-N 1 2 353.422 2.555 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cn3c(cccc3Cl)n1)CC2 ZINC001233571920 1036684299 /nfs/dbraw/zinc/68/42/99/1036684299.db2.gz AQYGCBAULCULKZ-UHFFFAOYSA-N 1 2 371.872 2.982 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cn3c(cccc3Cl)n1)CC2 ZINC001233571920 1036684308 /nfs/dbraw/zinc/68/43/08/1036684308.db2.gz AQYGCBAULCULKZ-UHFFFAOYSA-N 1 2 371.872 2.982 20 30 FFEDLO CCn1nc(C(C)=O)c(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1C ZINC001233659722 1036708563 /nfs/dbraw/zinc/70/85/63/1036708563.db2.gz IJXMMGLQEBSMTJ-GOSISDBHSA-N 1 2 352.438 2.939 20 30 FFEDLO CCn1nc(C(C)=O)c(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1C ZINC001233659722 1036708581 /nfs/dbraw/zinc/70/85/81/1036708581.db2.gz IJXMMGLQEBSMTJ-GOSISDBHSA-N 1 2 352.438 2.939 20 30 FFEDLO Cc1nc(O[C@@H]2C(=O)OCC2(C)C)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229766463 1036879990 /nfs/dbraw/zinc/87/99/90/1036879990.db2.gz OCUVAXUNRGSZNK-QGZVFWFLSA-N 1 2 362.389 2.907 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2sccc2Br)C[C@H]1NC(=O)C#CC1CC1 ZINC001206950964 1036972042 /nfs/dbraw/zinc/97/20/42/1036972042.db2.gz QEQVMARBFCXISN-BXUZGUMPSA-N 1 2 367.312 2.861 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2sccc2Br)C[C@H]1NC(=O)C#CC1CC1 ZINC001206950964 1036972051 /nfs/dbraw/zinc/97/20/51/1036972051.db2.gz QEQVMARBFCXISN-BXUZGUMPSA-N 1 2 367.312 2.861 20 30 FFEDLO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206953060 1036976935 /nfs/dbraw/zinc/97/69/35/1036976935.db2.gz POPWYAPIWXYMPC-VNHYZAJKSA-N 1 2 370.478 2.709 20 30 FFEDLO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206953060 1036976940 /nfs/dbraw/zinc/97/69/40/1036976940.db2.gz POPWYAPIWXYMPC-VNHYZAJKSA-N 1 2 370.478 2.709 20 30 FFEDLO C#CCCOc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]2C)cc1 ZINC001206956524 1036985151 /nfs/dbraw/zinc/98/51/51/1036985151.db2.gz LOAHQTGVACNOJM-FOIQADDNSA-N 1 2 367.449 2.635 20 30 FFEDLO C#CCCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3coc(C)n3)C[C@H]2C)cc1 ZINC001206956524 1036985165 /nfs/dbraw/zinc/98/51/65/1036985165.db2.gz LOAHQTGVACNOJM-FOIQADDNSA-N 1 2 367.449 2.635 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nnc(C)o2)C[C@H]1C ZINC001206966745 1036994688 /nfs/dbraw/zinc/99/46/88/1036994688.db2.gz WNVYMAXZAHKCOP-BFYDXBDKSA-N 1 2 364.490 2.639 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nnc(C)o2)C[C@H]1C ZINC001206966745 1036994703 /nfs/dbraw/zinc/99/47/03/1036994703.db2.gz WNVYMAXZAHKCOP-BFYDXBDKSA-N 1 2 364.490 2.639 20 30 FFEDLO COC(=O)C(=O)c1ccc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC001234443535 1037039249 /nfs/dbraw/zinc/03/92/49/1037039249.db2.gz IMMFBMJDDTVYOZ-IBGZPJMESA-N 1 2 364.401 2.567 20 30 FFEDLO COC(=O)C(=O)c1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1 ZINC001234443535 1037039260 /nfs/dbraw/zinc/03/92/60/1037039260.db2.gz IMMFBMJDDTVYOZ-IBGZPJMESA-N 1 2 364.401 2.567 20 30 FFEDLO Cn1cc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)cc1C#N ZINC001207104996 1037150015 /nfs/dbraw/zinc/15/00/15/1037150015.db2.gz MJNNCAIBBCYTSO-HHXXYDBFSA-N 1 2 372.494 2.549 20 30 FFEDLO Cn1cc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)cc1C#N ZINC001207104996 1037150023 /nfs/dbraw/zinc/15/00/23/1037150023.db2.gz MJNNCAIBBCYTSO-HHXXYDBFSA-N 1 2 372.494 2.549 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC001207171821 1037221769 /nfs/dbraw/zinc/22/17/69/1037221769.db2.gz GUQFSTSXKABLBI-ZIAGYGMSSA-N 1 2 358.442 2.868 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC001207171821 1037221782 /nfs/dbraw/zinc/22/17/82/1037221782.db2.gz GUQFSTSXKABLBI-ZIAGYGMSSA-N 1 2 358.442 2.868 20 30 FFEDLO Cc1noc(C)c1CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C#N)s2)C1=O ZINC001277944286 1037542260 /nfs/dbraw/zinc/54/22/60/1037542260.db2.gz LSJUYRZMNJKAEE-IBGZPJMESA-N 1 2 370.478 2.992 20 30 FFEDLO Cc1noc(C)c1CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C#N)s2)C1=O ZINC001277944286 1037542274 /nfs/dbraw/zinc/54/22/74/1037542274.db2.gz LSJUYRZMNJKAEE-IBGZPJMESA-N 1 2 370.478 2.992 20 30 FFEDLO CCCCCCCCOCC(=O)N[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1C ZINC001207559975 1037552687 /nfs/dbraw/zinc/55/26/87/1037552687.db2.gz OZJBHMJZILPFNA-SJLPKXTDSA-N 1 2 351.491 2.988 20 30 FFEDLO CCCCCCCCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1C ZINC001207559975 1037552696 /nfs/dbraw/zinc/55/26/96/1037552696.db2.gz OZJBHMJZILPFNA-SJLPKXTDSA-N 1 2 351.491 2.988 20 30 FFEDLO CN(C)C(=O)N1CCCC12CC[NH+](Cc1c(F)cc(C#N)cc1F)CC2 ZINC001235655367 1037665006 /nfs/dbraw/zinc/66/50/06/1037665006.db2.gz WSGYTPWBEPXEBQ-UHFFFAOYSA-N 1 2 362.424 2.948 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001208129303 1038069845 /nfs/dbraw/zinc/06/98/45/1038069845.db2.gz RBNKPGFEVDNGGQ-IDHHARJASA-N 1 2 365.905 2.900 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001208129303 1038069858 /nfs/dbraw/zinc/06/98/58/1038069858.db2.gz RBNKPGFEVDNGGQ-IDHHARJASA-N 1 2 365.905 2.900 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001208150596 1038093062 /nfs/dbraw/zinc/09/30/62/1038093062.db2.gz SESSFIZVFJKQBJ-QINHECLXSA-N 1 2 363.502 2.963 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001208150596 1038093078 /nfs/dbraw/zinc/09/30/78/1038093078.db2.gz SESSFIZVFJKQBJ-QINHECLXSA-N 1 2 363.502 2.963 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)c(C)c2)C[C@H]1C ZINC001208371437 1038259840 /nfs/dbraw/zinc/25/98/40/1038259840.db2.gz VMCTYIMPAOZJNW-UYAOXDASSA-N 1 2 369.509 2.872 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)c(C)c2)C[C@H]1C ZINC001208371437 1038259857 /nfs/dbraw/zinc/25/98/57/1038259857.db2.gz VMCTYIMPAOZJNW-UYAOXDASSA-N 1 2 369.509 2.872 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001208392924 1038279321 /nfs/dbraw/zinc/27/93/21/1038279321.db2.gz GEMNTTKJCPIHFS-ZHALLVOQSA-N 1 2 357.498 2.972 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001208392924 1038279331 /nfs/dbraw/zinc/27/93/31/1038279331.db2.gz GEMNTTKJCPIHFS-ZHALLVOQSA-N 1 2 357.498 2.972 20 30 FFEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](C)Cc1cccc(OC)c1 ZINC001256156885 1038408588 /nfs/dbraw/zinc/40/85/88/1038408588.db2.gz QWXUBGFKZCMSCM-YWZLYKJASA-N 1 2 352.434 2.872 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccnc3c(Cl)cccc23)CC1 ZINC001237144167 1038454705 /nfs/dbraw/zinc/45/47/05/1038454705.db2.gz JWJYEIDFDRBSGO-UHFFFAOYSA-N 1 2 364.840 2.872 20 30 FFEDLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@H+]1CCCc1ccc(C#N)cc1 ZINC001208859187 1038560815 /nfs/dbraw/zinc/56/08/15/1038560815.db2.gz NCKDNEMYUCGMAQ-FQEVSTJZSA-N 1 2 365.481 2.738 20 30 FFEDLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@@H+]1CCCc1ccc(C#N)cc1 ZINC001208859187 1038560822 /nfs/dbraw/zinc/56/08/22/1038560822.db2.gz NCKDNEMYUCGMAQ-FQEVSTJZSA-N 1 2 365.481 2.738 20 30 FFEDLO C#CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1)C(=O)OC ZINC001257178791 1038736657 /nfs/dbraw/zinc/73/66/57/1038736657.db2.gz IKOHESCOJDFAED-HRCADAONSA-N 1 2 352.475 2.565 20 30 FFEDLO CCOC(=O)CC1CCC([NH2+][C@@H](Cc2ccc(C#N)cc2)C(=O)OC)CC1 ZINC001258030382 1039128696 /nfs/dbraw/zinc/12/86/96/1039128696.db2.gz ZMTIUQBOKJHPMI-KVZIAJEVSA-N 1 2 372.465 2.744 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1Cc1cc(C(F)(F)F)cc(Br)c1F ZINC001210196035 1039426620 /nfs/dbraw/zinc/42/66/20/1039426620.db2.gz MQDOJDOKPRLNHO-JTQLQIEISA-N 1 2 366.156 2.904 20 30 FFEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H]1CCC(=O)N(Cc2ccccc2)CC1)C(=O)OCC ZINC001258573151 1039436385 /nfs/dbraw/zinc/43/63/85/1039436385.db2.gz DAHCUEUTSZXLGT-LQWHRVPQSA-N 1 2 356.466 2.665 20 30 FFEDLO C[NH+]1CCN(c2ccc(Nc3ccc(O)c([N+](=O)[O-])c3)cc2C#N)CC1 ZINC001210400551 1039522700 /nfs/dbraw/zinc/52/27/00/1039522700.db2.gz JWAQYQRREUVFJB-UHFFFAOYSA-N 1 2 353.382 2.667 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)c(C)o3)C[C@H]2C)CCOCC1 ZINC001210660111 1039655129 /nfs/dbraw/zinc/65/51/29/1039655129.db2.gz GWDTWNDXKOMIAU-RHSMWYFYSA-N 1 2 361.486 2.601 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)c(C)o3)C[C@H]2C)CCOCC1 ZINC001210660111 1039655137 /nfs/dbraw/zinc/65/51/37/1039655137.db2.gz GWDTWNDXKOMIAU-RHSMWYFYSA-N 1 2 361.486 2.601 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](OC)C2CCCC2)C1 ZINC001210672988 1039661501 /nfs/dbraw/zinc/66/15/01/1039661501.db2.gz QBPLIOQDYFMOHS-KCPJHIHWSA-N 1 2 359.308 2.537 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](OC)C2CCCC2)C1 ZINC001210672988 1039661505 /nfs/dbraw/zinc/66/15/05/1039661505.db2.gz QBPLIOQDYFMOHS-KCPJHIHWSA-N 1 2 359.308 2.537 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)oc3C)C[C@H]2C)CCOCC1 ZINC001210679564 1039666496 /nfs/dbraw/zinc/66/64/96/1039666496.db2.gz AKASKGWJNHJLMC-RHSMWYFYSA-N 1 2 361.486 2.601 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)oc3C)C[C@H]2C)CCOCC1 ZINC001210679564 1039666506 /nfs/dbraw/zinc/66/65/06/1039666506.db2.gz AKASKGWJNHJLMC-RHSMWYFYSA-N 1 2 361.486 2.601 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1C)c1ccccc1 ZINC001211225072 1040013555 /nfs/dbraw/zinc/01/35/55/1040013555.db2.gz ZUMSUOFVXJNIIY-ZIFCJYIRSA-N 1 2 350.466 2.773 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ncccn2)C[C@H]1C)c1ccccc1 ZINC001211225072 1040013571 /nfs/dbraw/zinc/01/35/71/1040013571.db2.gz ZUMSUOFVXJNIIY-ZIFCJYIRSA-N 1 2 350.466 2.773 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccn(CC)n2)C[C@H]1C)c1ccccc1 ZINC001211241772 1040028055 /nfs/dbraw/zinc/02/80/55/1040028055.db2.gz NVENMQNBBBNMBY-LSTHTHJFSA-N 1 2 352.482 2.809 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccn(CC)n2)C[C@H]1C)c1ccccc1 ZINC001211241772 1040028071 /nfs/dbraw/zinc/02/80/71/1040028071.db2.gz NVENMQNBBBNMBY-LSTHTHJFSA-N 1 2 352.482 2.809 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3nc(C)no3)C[C@H]2C)CCCCC1 ZINC001211406528 1040163102 /nfs/dbraw/zinc/16/31/02/1040163102.db2.gz QVZOZHRAJCPISO-HLLBOEOZSA-N 1 2 358.486 2.849 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3nc(C)no3)C[C@H]2C)CCCCC1 ZINC001211406528 1040163113 /nfs/dbraw/zinc/16/31/13/1040163113.db2.gz QVZOZHRAJCPISO-HLLBOEOZSA-N 1 2 358.486 2.849 20 30 FFEDLO Cc1cccc(Br)c1C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001248618619 1040342315 /nfs/dbraw/zinc/34/23/15/1040342315.db2.gz BBDYAEIMSFHIKC-UHFFFAOYSA-N 1 2 372.270 2.741 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213258245 1040382079 /nfs/dbraw/zinc/38/20/79/1040382079.db2.gz IUZWZBUYTYWRRQ-QZTJIDSGSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213258245 1040382100 /nfs/dbraw/zinc/38/21/00/1040382100.db2.gz IUZWZBUYTYWRRQ-QZTJIDSGSA-N 1 2 359.445 2.615 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)NCCn2c[nH+]cc2-c2ccccc2)cc1 ZINC001213262205 1040386548 /nfs/dbraw/zinc/38/65/48/1040386548.db2.gz QAWSIYWEKMIDOE-UHFFFAOYSA-N 1 2 351.431 2.510 20 30 FFEDLO Cc1cnc(C#N)c(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)c1 ZINC001213480251 1040590062 /nfs/dbraw/zinc/59/00/62/1040590062.db2.gz HNDQWYNNMPEWKG-UHFFFAOYSA-N 1 2 356.401 2.855 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1OC ZINC001213498033 1040612957 /nfs/dbraw/zinc/61/29/57/1040612957.db2.gz UAPPGDIZOSNTBX-IAGOWNOFSA-N 1 2 362.518 2.556 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1OC ZINC001213498033 1040612962 /nfs/dbraw/zinc/61/29/62/1040612962.db2.gz UAPPGDIZOSNTBX-IAGOWNOFSA-N 1 2 362.518 2.556 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cn(C)nc1[C@@H](C)CC ZINC001249406649 1040731100 /nfs/dbraw/zinc/73/11/00/1040731100.db2.gz QYPUMXKVIMIPQQ-MAUKXSAKSA-N 1 2 357.502 2.969 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cn(C)nc1[C@@H](C)CC ZINC001249406649 1040731115 /nfs/dbraw/zinc/73/11/15/1040731115.db2.gz QYPUMXKVIMIPQQ-MAUKXSAKSA-N 1 2 357.502 2.969 20 30 FFEDLO O=C1C=C2C[N@H+](Cc3c[nH]c4nc(Cl)nc(Cl)c34)CC[C@@H]2S1 ZINC001249468020 1040787202 /nfs/dbraw/zinc/78/72/02/1040787202.db2.gz GYQBPTWNHHXGCZ-VIFPVBQESA-N 1 2 355.250 2.990 20 30 FFEDLO O=C1C=C2C[N@@H+](Cc3c[nH]c4nc(Cl)nc(Cl)c34)CC[C@@H]2S1 ZINC001249468020 1040787221 /nfs/dbraw/zinc/78/72/21/1040787221.db2.gz GYQBPTWNHHXGCZ-VIFPVBQESA-N 1 2 355.250 2.990 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@@H](C)C(C)(C)C ZINC001213781468 1040900405 /nfs/dbraw/zinc/90/04/05/1040900405.db2.gz PRWQIUZKJWQYDI-MISYRCLQSA-N 1 2 356.510 2.926 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@@H](C)C(C)(C)C ZINC001213781468 1040900422 /nfs/dbraw/zinc/90/04/22/1040900422.db2.gz PRWQIUZKJWQYDI-MISYRCLQSA-N 1 2 356.510 2.926 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1OC ZINC001213895400 1041037377 /nfs/dbraw/zinc/03/73/77/1041037377.db2.gz YJCGRJDAWCSETM-BYNCYXQVSA-N 1 2 362.901 2.989 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1OC ZINC001213895400 1041037388 /nfs/dbraw/zinc/03/73/88/1041037388.db2.gz YJCGRJDAWCSETM-BYNCYXQVSA-N 1 2 362.901 2.989 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1OC)c1ccccc1 ZINC001213896145 1041041253 /nfs/dbraw/zinc/04/12/53/1041041253.db2.gz WAVHLYKWXNJXGE-NLWGTHIKSA-N 1 2 369.465 2.658 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1OC)c1ccccc1 ZINC001213896145 1041041270 /nfs/dbraw/zinc/04/12/70/1041041270.db2.gz WAVHLYKWXNJXGE-NLWGTHIKSA-N 1 2 369.465 2.658 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CCC(C)C)no2)C1 ZINC001215357409 1041752787 /nfs/dbraw/zinc/75/27/87/1041752787.db2.gz DGUDILDPYFARIC-IAGOWNOFSA-N 1 2 360.502 2.788 20 30 FFEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@@H]2C[C@H]2C#N)n1C ZINC001262880780 1041926710 /nfs/dbraw/zinc/92/67/10/1041926710.db2.gz MEMKAIBAGKDQKI-DLBZAZTESA-N 1 2 365.485 2.580 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1C ZINC001262916869 1041958168 /nfs/dbraw/zinc/95/81/68/1041958168.db2.gz XHFSTJIKRRAFHT-MOPGFXCFSA-N 1 2 367.497 2.934 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)n1C ZINC001262916869 1041958175 /nfs/dbraw/zinc/95/81/75/1041958175.db2.gz XHFSTJIKRRAFHT-MOPGFXCFSA-N 1 2 367.497 2.934 20 30 FFEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1c(F)ccc(O)c1F)CC2 ZINC001276735444 1041963306 /nfs/dbraw/zinc/96/33/06/1041963306.db2.gz URMMORUCWQJDIU-CQSZACIVSA-N 1 2 350.409 2.965 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC(c2ccsc2)CC1 ZINC001262947217 1041981751 /nfs/dbraw/zinc/98/17/51/1041981751.db2.gz HOAULOUIWZIPMG-SJORKVTESA-N 1 2 373.526 2.647 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC(c2ccsc2)CC1 ZINC001262947217 1041981758 /nfs/dbraw/zinc/98/17/58/1041981758.db2.gz HOAULOUIWZIPMG-SJORKVTESA-N 1 2 373.526 2.647 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)Cc1ccc(Cl)s1 ZINC001262947129 1041982003 /nfs/dbraw/zinc/98/20/03/1041982003.db2.gz GCVNMVJBVCZYST-DGCLKSJQSA-N 1 2 367.906 2.553 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)Cc1ccc(Cl)s1 ZINC001262947129 1041982006 /nfs/dbraw/zinc/98/20/06/1041982006.db2.gz GCVNMVJBVCZYST-DGCLKSJQSA-N 1 2 367.906 2.553 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CC[C@H](c2ccccc2C)C1 ZINC001262947429 1041982151 /nfs/dbraw/zinc/98/21/51/1041982151.db2.gz LSJTWTCLWHOHRL-SCTDSRPQSA-N 1 2 367.497 2.504 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CC[C@H](c2ccccc2C)C1 ZINC001262947429 1041982155 /nfs/dbraw/zinc/98/21/55/1041982155.db2.gz LSJTWTCLWHOHRL-SCTDSRPQSA-N 1 2 367.497 2.504 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1C[C@H](C)OC2(CCCCC2)C1 ZINC001262990616 1042014852 /nfs/dbraw/zinc/01/48/52/1042014852.db2.gz IKQXFHMMRPDEMK-INIZCTEOSA-N 1 2 370.501 2.716 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CCC(F)(F)F ZINC001263024858 1042042706 /nfs/dbraw/zinc/04/27/06/1042042706.db2.gz LZYISEPPLFYSAN-UHFFFAOYSA-N 1 2 358.412 2.780 20 30 FFEDLO C=C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)no2)C1)c1ccccc1 ZINC001216810758 1042131307 /nfs/dbraw/zinc/13/13/07/1042131307.db2.gz YMKOHFXSPHULML-QGPMSJSTSA-N 1 2 354.454 2.674 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](C3CCC3)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001263285393 1042220848 /nfs/dbraw/zinc/22/08/48/1042220848.db2.gz GEPQBSYKLPHMCG-WAOWUJCRSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](C3CCC3)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001263285393 1042220852 /nfs/dbraw/zinc/22/08/52/1042220852.db2.gz GEPQBSYKLPHMCG-WAOWUJCRSA-N 1 2 373.545 2.782 20 30 FFEDLO CSC1(C(=O)OCC#Cc2csc(C[NH+]3CCOCC3)c2)CCC1 ZINC001263660341 1042423576 /nfs/dbraw/zinc/42/35/76/1042423576.db2.gz CRBJWDZNCUEUIJ-UHFFFAOYSA-N 1 2 365.520 2.761 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C#N)CC[N@@H+]1Cc1ccn(-c2ccccc2F)n1 ZINC001264047380 1042596560 /nfs/dbraw/zinc/59/65/60/1042596560.db2.gz BCEMAGMQWKZSLS-JCGIZDLHSA-N 1 2 369.444 2.640 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C#N)CC[N@H+]1Cc1ccn(-c2ccccc2F)n1 ZINC001264047380 1042596564 /nfs/dbraw/zinc/59/65/64/1042596564.db2.gz BCEMAGMQWKZSLS-JCGIZDLHSA-N 1 2 369.444 2.640 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H]2C[N@H+](Cc3csc(COC)n3)CC[C@@H]2C1 ZINC001264096948 1042623289 /nfs/dbraw/zinc/62/32/89/1042623289.db2.gz XPWPVXGCZQFJLR-CVEARBPZSA-N 1 2 363.527 2.926 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3csc(COC)n3)CC[C@@H]2C1 ZINC001264096948 1042623290 /nfs/dbraw/zinc/62/32/90/1042623290.db2.gz XPWPVXGCZQFJLR-CVEARBPZSA-N 1 2 363.527 2.926 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@H+](CC(=O)Nc2cccc(F)c2)[C@@H]1C ZINC001264159151 1042643583 /nfs/dbraw/zinc/64/35/83/1042643583.db2.gz PAUCSOOAFJCIGL-LIVBEALHSA-N 1 2 361.461 2.946 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2cccc(F)c2)[C@@H]1C ZINC001264159151 1042643585 /nfs/dbraw/zinc/64/35/85/1042643585.db2.gz PAUCSOOAFJCIGL-LIVBEALHSA-N 1 2 361.461 2.946 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)CC[C@@H]1c1cccc(F)c1 ZINC001264595205 1042732430 /nfs/dbraw/zinc/73/24/30/1042732430.db2.gz YDHQOWDJWJISCZ-WOJBJXKFSA-N 1 2 370.472 3.000 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@@H]1c1cccc(F)c1 ZINC001264595205 1042732435 /nfs/dbraw/zinc/73/24/35/1042732435.db2.gz YDHQOWDJWJISCZ-WOJBJXKFSA-N 1 2 370.472 3.000 20 30 FFEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](Cc2nnc3n2CCCCC3)[C@@H]1CC ZINC001264617642 1042750331 /nfs/dbraw/zinc/75/03/31/1042750331.db2.gz WJLNIUGUDHOUGP-DLBZAZTESA-N 1 2 359.518 2.830 20 30 FFEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nnc3n2CCCCC3)[C@@H]1CC ZINC001264617642 1042750334 /nfs/dbraw/zinc/75/03/34/1042750334.db2.gz WJLNIUGUDHOUGP-DLBZAZTESA-N 1 2 359.518 2.830 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CC3(CCN3Cc3cc(C)nn3C)C2)cc1 ZINC001279231205 1042956780 /nfs/dbraw/zinc/95/67/80/1042956780.db2.gz NQOVYGAZBAATQD-UHFFFAOYSA-N 1 2 352.482 2.754 20 30 FFEDLO N#Cc1c(F)cc(C[N@@H+]2CCCC3(CN(Cc4cn[nH]c4)C3)C2)cc1F ZINC001279312622 1042995986 /nfs/dbraw/zinc/99/59/86/1042995986.db2.gz LIBVBCNNISLGDE-UHFFFAOYSA-N 1 2 357.408 2.658 20 30 FFEDLO N#Cc1c(F)cc(C[N@H+]2CCCC3(CN(Cc4cn[nH]c4)C3)C2)cc1F ZINC001279312622 1042995987 /nfs/dbraw/zinc/99/59/87/1042995987.db2.gz LIBVBCNNISLGDE-UHFFFAOYSA-N 1 2 357.408 2.658 20 30 FFEDLO CCn1ncc2c1C[N@H+](Cc1ccnc(C#N)c1)C[C@H]2COCC1CC1 ZINC001237464564 1043183187 /nfs/dbraw/zinc/18/31/87/1043183187.db2.gz SZUNZPJAMGOBIO-KRWDZBQOSA-N 1 2 351.454 2.696 20 30 FFEDLO CCn1ncc2c1C[N@@H+](Cc1ccnc(C#N)c1)C[C@H]2COCC1CC1 ZINC001237464564 1043183193 /nfs/dbraw/zinc/18/31/93/1043183193.db2.gz SZUNZPJAMGOBIO-KRWDZBQOSA-N 1 2 351.454 2.696 20 30 FFEDLO C#CCN(C(=O)C[C@@H]1C[C@H]1C1CC1)C1CC[NH+](Cc2nocc2C)CC1 ZINC001278169511 1043432112 /nfs/dbraw/zinc/43/21/12/1043432112.db2.gz NUOIRCZRPZAYCQ-HKUYNNGSSA-N 1 2 355.482 2.845 20 30 FFEDLO C#C[C@@H](NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)c1ccc(Cl)cc1 ZINC001309557264 1043433216 /nfs/dbraw/zinc/43/32/16/1043433216.db2.gz IJKIWJNLPDUMDD-GOSISDBHSA-N 1 2 374.893 2.981 20 30 FFEDLO C#C[C@@H](NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)c1ccc(Cl)cc1 ZINC001309557264 1043433219 /nfs/dbraw/zinc/43/32/19/1043433219.db2.gz IJKIWJNLPDUMDD-GOSISDBHSA-N 1 2 374.893 2.981 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)ccc1Cl ZINC001238191061 1043600234 /nfs/dbraw/zinc/60/02/34/1043600234.db2.gz ICSFOAYVDQXEIW-RBUKOAKNSA-N 1 2 366.852 2.982 20 30 FFEDLO N#Cc1cc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)ccc1Cl ZINC001238191061 1043600241 /nfs/dbraw/zinc/60/02/41/1043600241.db2.gz ICSFOAYVDQXEIW-RBUKOAKNSA-N 1 2 366.852 2.982 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H](C)c1nc(COC)no1 ZINC001316698602 1043800868 /nfs/dbraw/zinc/80/08/68/1043800868.db2.gz FIHLIZNPSAMZCU-OAGGEKHMSA-N 1 2 364.490 2.850 20 30 FFEDLO CCOC(=O)c1cc2n(n1)CCC[N@H+](Cc1ccc(C#N)c(CC)c1)C2 ZINC001238760179 1043873860 /nfs/dbraw/zinc/87/38/60/1043873860.db2.gz FOAINZSWRWLBCJ-UHFFFAOYSA-N 1 2 352.438 2.900 20 30 FFEDLO CCOC(=O)c1cc2n(n1)CCC[N@@H+](Cc1ccc(C#N)c(CC)c1)C2 ZINC001238760179 1043873875 /nfs/dbraw/zinc/87/38/75/1043873875.db2.gz FOAINZSWRWLBCJ-UHFFFAOYSA-N 1 2 352.438 2.900 20 30 FFEDLO COc1ccc(C[NH+]2CC3(C[C@H]3C(=O)N3CC(CC#N)C3)C2)cc1Cl ZINC001279931993 1043939310 /nfs/dbraw/zinc/93/93/10/1043939310.db2.gz NAIRYQAWJLDBQX-HNNXBMFYSA-N 1 2 359.857 2.543 20 30 FFEDLO N#Cc1ccc2cc(C[N@H+]3C[C@@H]4[C@H](C3)OCCN4C3CCCC3)[nH]c2c1 ZINC001279979817 1044026499 /nfs/dbraw/zinc/02/64/99/1044026499.db2.gz HARODQOGCVIWQC-RTWAWAEBSA-N 1 2 350.466 2.867 20 30 FFEDLO N#Cc1ccc2cc(C[N@@H+]3C[C@@H]4[C@H](C3)OCCN4C3CCCC3)[nH]c2c1 ZINC001279979817 1044026515 /nfs/dbraw/zinc/02/65/15/1044026515.db2.gz HARODQOGCVIWQC-RTWAWAEBSA-N 1 2 350.466 2.867 20 30 FFEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(S(=O)(=O)N(C)C)cc2)cc1C#N ZINC001240189139 1044259789 /nfs/dbraw/zinc/25/97/89/1044259789.db2.gz YJHBAHNNKJRJDW-DEDYPNTBSA-N 1 2 356.451 2.697 20 30 FFEDLO N#CC1(NC(=O)[C@@H]2CC23C[NH+](Cc2ccccc2OC(F)F)C3)CCC1 ZINC001280206319 1044399134 /nfs/dbraw/zinc/39/91/34/1044399134.db2.gz LDAGOKMMVWBXLD-AWEZNQCLSA-N 1 2 361.392 2.672 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC(=O)c1ccc(C#N)cc1 ZINC001280235524 1044441154 /nfs/dbraw/zinc/44/11/54/1044441154.db2.gz QNZOBERZROHBAZ-HDICACEKSA-N 1 2 366.490 2.855 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC(=O)c1ccc(C#N)cc1 ZINC001280235524 1044441161 /nfs/dbraw/zinc/44/11/61/1044441161.db2.gz QNZOBERZROHBAZ-HDICACEKSA-N 1 2 366.490 2.855 20 30 FFEDLO C[C@H]1c2nc(C(=O)N3CC(CC#N)C3)cn2CC[N@H+]1C[C@@H]1CC=CCC1 ZINC001280237442 1044447166 /nfs/dbraw/zinc/44/71/66/1044447166.db2.gz RKPKYUPOQQZTHS-JKSUJKDBSA-N 1 2 353.470 2.602 20 30 FFEDLO C[C@H]1c2nc(C(=O)N3CC(CC#N)C3)cn2CC[N@@H+]1C[C@@H]1CC=CCC1 ZINC001280237442 1044447172 /nfs/dbraw/zinc/44/71/72/1044447172.db2.gz RKPKYUPOQQZTHS-JKSUJKDBSA-N 1 2 353.470 2.602 20 30 FFEDLO C#CCN(C)c1nnc(C2CC2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001539174850 1070578334 /nfs/dbraw/zinc/57/83/34/1070578334.db2.gz NIWONVGWMSZLSK-UHFFFAOYSA-N 1 2 364.497 2.905 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3cc(F)cc(CC#N)c3)cn2)CC1 ZINC001241568946 1044555595 /nfs/dbraw/zinc/55/55/95/1044555595.db2.gz VAWZDBAEJLXLFY-UHFFFAOYSA-N 1 2 353.445 2.613 20 30 FFEDLO CCn1cc(-c2ccc(C[NH+]3CC(O)C3)cc2)c2sc(C#N)cc2c1=O ZINC001243642882 1044975298 /nfs/dbraw/zinc/97/52/98/1044975298.db2.gz WBWKCOLYCKOTQO-UHFFFAOYSA-N 1 2 365.458 2.798 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C)n2CCCO[C@H](C)c2ccccc2)CC1 ZINC001539429908 1070636580 /nfs/dbraw/zinc/63/65/80/1070636580.db2.gz DVXGNOGTCZIKMG-GOSISDBHSA-N 1 2 367.497 2.510 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC2(C3CC3)CC2)CC1 ZINC001539452089 1070640998 /nfs/dbraw/zinc/64/09/98/1070640998.db2.gz KTPHNRAZWGTEJP-UHFFFAOYSA-N 1 2 355.530 2.812 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 ZINC001320038603 1045334789 /nfs/dbraw/zinc/33/47/89/1045334789.db2.gz BWEJHLMNIFERRT-SFHVURJKSA-N 1 2 354.454 2.705 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 ZINC001320038603 1045334793 /nfs/dbraw/zinc/33/47/93/1045334793.db2.gz BWEJHLMNIFERRT-SFHVURJKSA-N 1 2 354.454 2.705 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001282142841 1045377922 /nfs/dbraw/zinc/37/79/22/1045377922.db2.gz XRKWYOKZMGAAFM-IXDOHACOSA-N 1 2 360.502 2.838 20 30 FFEDLO C=CCCCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001282150803 1045386027 /nfs/dbraw/zinc/38/60/27/1045386027.db2.gz LVHFHBBKYGFIOO-ARFHVFGLSA-N 1 2 358.486 2.587 20 30 FFEDLO C=C1CCN(c2nnc(CC3CCCC3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001539854971 1070713204 /nfs/dbraw/zinc/71/32/04/1070713204.db2.gz ZLHUHKPCWDGWJC-GOSISDBHSA-N 1 2 373.545 2.888 20 30 FFEDLO C=C1CCN(c2nnc(CC3CCCC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001539854971 1070713216 /nfs/dbraw/zinc/71/32/16/1070713216.db2.gz ZLHUHKPCWDGWJC-GOSISDBHSA-N 1 2 373.545 2.888 20 30 FFEDLO CC(C)(C)OC(=O)NCC1(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)CC1 ZINC001324748079 1046204415 /nfs/dbraw/zinc/20/44/15/1046204415.db2.gz ZDNCULACPDNMSJ-UHFFFAOYSA-N 1 2 357.454 2.926 20 30 FFEDLO C=C1CCN(c2nnc(C)n2C[C@H](c2cccs2)[NH+]2CCOCC2)CC1 ZINC001286637817 1047144944 /nfs/dbraw/zinc/14/49/44/1047144944.db2.gz NHXXIIQCJPIHBX-QGZVFWFLSA-N 1 2 373.526 2.878 20 30 FFEDLO C=CCN(C)c1nnc(COCC)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001286728903 1047165187 /nfs/dbraw/zinc/16/51/87/1047165187.db2.gz KBIPZFZBOKTIIO-UHFFFAOYSA-N 1 2 352.442 2.671 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001290951693 1048540448 /nfs/dbraw/zinc/54/04/48/1048540448.db2.gz JXPFLINRSYSBTC-HZPDHXFCSA-N 1 2 368.481 2.761 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCC[C@H](C)C2)CC1 ZINC001329695316 1048861459 /nfs/dbraw/zinc/86/14/59/1048861459.db2.gz ZBHNUOTXYQLEIX-IPMKNSEASA-N 1 2 371.529 2.711 20 30 FFEDLO C=CCC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cc[nH+]c2)C3)CCCC1 ZINC001292167414 1049157314 /nfs/dbraw/zinc/15/73/14/1049157314.db2.gz GWHUEYJWGYAHAM-KURKYZTESA-N 1 2 370.497 2.658 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001292180540 1049164591 /nfs/dbraw/zinc/16/45/91/1049164591.db2.gz SOIBKRGAVHFMDU-MANSERQUSA-N 1 2 370.497 2.666 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001293715863 1049615187 /nfs/dbraw/zinc/61/51/87/1049615187.db2.gz MQIPCALAUKDJDF-UHFFFAOYSA-N 1 2 356.209 2.683 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001293715863 1049615190 /nfs/dbraw/zinc/61/51/90/1049615190.db2.gz MQIPCALAUKDJDF-UHFFFAOYSA-N 1 2 356.209 2.683 20 30 FFEDLO C=CCC[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1)c1ccccc1 ZINC001295429588 1049927062 /nfs/dbraw/zinc/92/70/62/1049927062.db2.gz LFMJKULLCHPWEM-RTBURBONSA-N 1 2 356.466 2.633 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)[C@@H]1CCCc2c1cnn2C ZINC001341903691 1050504640 /nfs/dbraw/zinc/50/46/40/1050504640.db2.gz MLEFGJOVAUSCQT-SJLPKXTDSA-N 1 2 369.517 2.868 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)[C@@H]1CCCc2c1cnn2C ZINC001341903691 1050504654 /nfs/dbraw/zinc/50/46/54/1050504654.db2.gz MLEFGJOVAUSCQT-SJLPKXTDSA-N 1 2 369.517 2.868 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001340205202 1050613990 /nfs/dbraw/zinc/61/39/90/1050613990.db2.gz KYJHIJOYLXZHEB-WMZOPIPTSA-N 1 2 371.485 2.833 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001340205202 1050613998 /nfs/dbraw/zinc/61/39/98/1050613998.db2.gz KYJHIJOYLXZHEB-WMZOPIPTSA-N 1 2 371.485 2.833 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1CC(=C)C ZINC001342246274 1050837619 /nfs/dbraw/zinc/83/76/19/1050837619.db2.gz ANASPMNNPQJQRP-MSOLQXFVSA-N 1 2 357.502 2.628 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1CC(=C)C ZINC001342246274 1050837628 /nfs/dbraw/zinc/83/76/28/1050837628.db2.gz ANASPMNNPQJQRP-MSOLQXFVSA-N 1 2 357.502 2.628 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc([C@@]2(C)C[C@@H](O)C[N@H+]2C)n1CC=C ZINC001340571302 1050957429 /nfs/dbraw/zinc/95/74/29/1050957429.db2.gz MRYPSALTKHFMPS-WIYYLYMNSA-N 1 2 367.497 2.568 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc([C@@]2(C)C[C@@H](O)C[N@@H+]2C)n1CC=C ZINC001340571302 1050957432 /nfs/dbraw/zinc/95/74/32/1050957432.db2.gz MRYPSALTKHFMPS-WIYYLYMNSA-N 1 2 367.497 2.568 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC001340732916 1051091489 /nfs/dbraw/zinc/09/14/89/1051091489.db2.gz KUUQACPBDWLRHL-DLBZAZTESA-N 1 2 370.501 2.574 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC(c2ccon2)CC1 ZINC001342671353 1051279324 /nfs/dbraw/zinc/27/93/24/1051279324.db2.gz BMEVBWFOLPSWJU-KRWDZBQOSA-N 1 2 356.474 2.993 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC(c2ccon2)CC1 ZINC001342671353 1051279337 /nfs/dbraw/zinc/27/93/37/1051279337.db2.gz BMEVBWFOLPSWJU-KRWDZBQOSA-N 1 2 356.474 2.993 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC(C)C ZINC001342805543 1051414014 /nfs/dbraw/zinc/41/40/14/1051414014.db2.gz WCVAQMRQSJJVHV-CEXWTWQISA-N 1 2 371.529 2.852 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC(C)C ZINC001342805543 1051414024 /nfs/dbraw/zinc/41/40/24/1051414024.db2.gz WCVAQMRQSJJVHV-CEXWTWQISA-N 1 2 371.529 2.852 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc([C@]2(C)C[C@H](O)C[N@H+]2C)n1CC(=C)C ZINC001343287201 1052135560 /nfs/dbraw/zinc/13/55/60/1052135560.db2.gz IQVCUJAIVVELCL-UWVAXJGDSA-N 1 2 359.518 2.701 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc([C@]2(C)C[C@H](O)C[N@@H+]2C)n1CC(=C)C ZINC001343287201 1052135562 /nfs/dbraw/zinc/13/55/62/1052135562.db2.gz IQVCUJAIVVELCL-UWVAXJGDSA-N 1 2 359.518 2.701 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC001343297971 1052144540 /nfs/dbraw/zinc/14/45/40/1052144540.db2.gz HIFZNGCAHFDEHK-UHFFFAOYSA-N 1 2 371.485 2.801 20 30 FFEDLO C=C(C)Cn1c(-c2ccco2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001343376003 1052193341 /nfs/dbraw/zinc/19/33/41/1052193341.db2.gz GDLIQSZBFOKRJX-UHFFFAOYSA-N 1 2 364.453 2.831 20 30 FFEDLO N#Cc1ccc(C(=O)Nc2ccc(NC3=[NH+]CCN3)c(Cl)c2)c(F)c1 ZINC001306877452 1052208856 /nfs/dbraw/zinc/20/88/56/1052208856.db2.gz VDCUYOLZJKAYIE-UHFFFAOYSA-N 1 2 357.776 2.974 20 30 FFEDLO N#Cc1ccc(C2CC[NH+](CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)nc1 ZINC001307958936 1052371420 /nfs/dbraw/zinc/37/14/20/1052371420.db2.gz YTZJBHCZOWLCIG-UHFFFAOYSA-N 1 2 365.393 2.680 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1cccc(=O)[nH]1 ZINC001343769114 1052409727 /nfs/dbraw/zinc/40/97/27/1052409727.db2.gz VCYNIAQZQMIFEJ-INIZCTEOSA-N 1 2 356.474 2.748 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)Cc1cccc(=O)[nH]1 ZINC001343769114 1052409730 /nfs/dbraw/zinc/40/97/30/1052409730.db2.gz VCYNIAQZQMIFEJ-INIZCTEOSA-N 1 2 356.474 2.748 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@H](CC#N)C1 ZINC001343784418 1052418347 /nfs/dbraw/zinc/41/83/47/1052418347.db2.gz WWLUAXIRBSSQMB-MSOLQXFVSA-N 1 2 372.517 2.766 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@H](CC#N)C1 ZINC001343784418 1052418353 /nfs/dbraw/zinc/41/83/53/1052418353.db2.gz WWLUAXIRBSSQMB-MSOLQXFVSA-N 1 2 372.517 2.766 20 30 FFEDLO C[C@H]([NH2+][C@@H](CO)c1cc(F)ccc1F)C(=O)N(CCC#N)c1ccccc1 ZINC001308156989 1052419688 /nfs/dbraw/zinc/41/96/88/1052419688.db2.gz AHBXZUAZLQQYPS-LIRRHRJNSA-N 1 2 373.403 2.923 20 30 FFEDLO C=CC[C@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2C[C@H]2CCOC2)C1 ZINC001345433564 1052444436 /nfs/dbraw/zinc/44/44/36/1052444436.db2.gz OQYPXZXBRWQWCP-ZWKOTPCHSA-N 1 2 359.518 2.703 20 30 FFEDLO CSc1ccc(C[NH2+]Cc2cn(Cc3cccnc3)nn2)cc1C#N ZINC001308520081 1052463841 /nfs/dbraw/zinc/46/38/41/1052463841.db2.gz SCGLWWIFLNNUKE-UHFFFAOYSA-N 1 2 350.451 2.605 20 30 FFEDLO O=C(CCc1cccnc1)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001345546849 1052502130 /nfs/dbraw/zinc/50/21/30/1052502130.db2.gz HIUGIKJSAJHAFX-UHFFFAOYSA-N 1 2 370.474 2.503 20 30 FFEDLO C=CCN(C)c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1C[C@@H]1CCOC1 ZINC001345569322 1052516512 /nfs/dbraw/zinc/51/65/12/1052516512.db2.gz ROPSLPXQNHYCQW-DLBZAZTESA-N 1 2 358.490 2.769 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(CC#N)CC1 ZINC001344109165 1052601635 /nfs/dbraw/zinc/60/16/35/1052601635.db2.gz IRJUNTQACVRAEN-SFHVURJKSA-N 1 2 374.533 2.992 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(CC#N)CC1 ZINC001344109165 1052601638 /nfs/dbraw/zinc/60/16/38/1052601638.db2.gz IRJUNTQACVRAEN-SFHVURJKSA-N 1 2 374.533 2.992 20 30 FFEDLO CC(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001344122788 1052609901 /nfs/dbraw/zinc/60/99/01/1052609901.db2.gz CTVSYABBOLDMLI-XLIONFOSSA-N 1 2 374.533 2.846 20 30 FFEDLO CC(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001344122788 1052609904 /nfs/dbraw/zinc/60/99/04/1052609904.db2.gz CTVSYABBOLDMLI-XLIONFOSSA-N 1 2 374.533 2.846 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2C[C@@H]2CCCO2)C1 ZINC001344587255 1052847011 /nfs/dbraw/zinc/84/70/11/1052847011.db2.gz PTKOLWMTIURTGJ-MSOLQXFVSA-N 1 2 359.518 2.845 20 30 FFEDLO C=CCC1(O)CCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2CC(C)C)CC1 ZINC001347414943 1053957458 /nfs/dbraw/zinc/95/74/58/1053957458.db2.gz XXKQVXBUCLJMKO-QGZVFWFLSA-N 1 2 361.534 2.998 20 30 FFEDLO C=CCC1(O)CCN(c2nnc([C@H]3CCCC[N@H+]3C)n2CC(C)C)CC1 ZINC001347414943 1053957474 /nfs/dbraw/zinc/95/74/74/1053957474.db2.gz XXKQVXBUCLJMKO-QGZVFWFLSA-N 1 2 361.534 2.998 20 30 FFEDLO C[C@@H](CC#N)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1 ZINC001347965783 1054509347 /nfs/dbraw/zinc/50/93/47/1054509347.db2.gz LSPNWOVJIMLKNQ-HNNXBMFYSA-N 1 2 355.490 2.520 20 30 FFEDLO C#C[C@H](NC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)[C@H]1CCCO1 ZINC001348676627 1054857059 /nfs/dbraw/zinc/85/70/59/1054857059.db2.gz SSZGIEOTZJOGMW-XYJFISCASA-N 1 2 358.486 2.708 20 30 FFEDLO C#C[C@H](NC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)[C@H]1CCCO1 ZINC001348676626 1054857112 /nfs/dbraw/zinc/85/71/12/1054857112.db2.gz SSZGIEOTZJOGMW-SOLBZPMBSA-N 1 2 358.486 2.708 20 30 FFEDLO C=CCCCN(CC)C(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC001349366506 1055210002 /nfs/dbraw/zinc/21/00/02/1055210002.db2.gz GZAJSWLNJUERMU-KRWDZBQOSA-N 1 2 373.497 2.833 20 30 FFEDLO COC(=O)/C=C/c1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000848880530 1055292065 /nfs/dbraw/zinc/29/20/65/1055292065.db2.gz PMGBZMGSFXBNSJ-CMDGGOBGSA-N 1 2 365.433 2.655 20 30 FFEDLO COC(=O)/C=C/c1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000848880530 1055292078 /nfs/dbraw/zinc/29/20/78/1055292078.db2.gz PMGBZMGSFXBNSJ-CMDGGOBGSA-N 1 2 365.433 2.655 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001356210414 1055389212 /nfs/dbraw/zinc/38/92/12/1055389212.db2.gz MAZCKCOYEOYMLT-CYBMUJFWSA-N 1 2 373.423 2.515 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001356210414 1055389223 /nfs/dbraw/zinc/38/92/23/1055389223.db2.gz MAZCKCOYEOYMLT-CYBMUJFWSA-N 1 2 373.423 2.515 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001356378585 1055478798 /nfs/dbraw/zinc/47/87/98/1055478798.db2.gz NDJHOLJLAQBALU-IBGZPJMESA-N 1 2 355.490 2.521 20 30 FFEDLO C=CCC1(O)CCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2CC2CC2)CC1 ZINC001350409423 1055760204 /nfs/dbraw/zinc/76/02/04/1055760204.db2.gz MIIGCWFUKMXKLI-KRWDZBQOSA-N 1 2 359.518 2.752 20 30 FFEDLO C=CCC1(O)CCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2CC2CC2)CC1 ZINC001350409423 1055760218 /nfs/dbraw/zinc/76/02/18/1055760218.db2.gz MIIGCWFUKMXKLI-KRWDZBQOSA-N 1 2 359.518 2.752 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N(C)Cc1cccc(=O)[nH]1 ZINC001357135787 1055790456 /nfs/dbraw/zinc/79/04/56/1055790456.db2.gz VBFUPZSJNUUJNW-UHFFFAOYSA-N 1 2 356.474 2.577 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3c(Cl)cccc3N(C)C)CC2)c1C#N ZINC001338827207 1055852691 /nfs/dbraw/zinc/85/26/91/1055852691.db2.gz KGSAMJHDXQGPAT-UHFFFAOYSA-N 1 2 372.904 2.642 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@@](C)(CC)C1 ZINC001338835089 1055858394 /nfs/dbraw/zinc/85/83/94/1055858394.db2.gz UPOUYWUELVAQOS-HXUWFJFHSA-N 1 2 361.534 2.685 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc([C@@H]2C[C@@H](O)C[N@H+]2C)n1CC=C ZINC001338895727 1055912487 /nfs/dbraw/zinc/91/24/87/1055912487.db2.gz RCCSFHGOCJCLNT-AEFFLSMTSA-N 1 2 371.460 2.533 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc([C@@H]2C[C@@H](O)C[N@@H+]2C)n1CC=C ZINC001338895727 1055912496 /nfs/dbraw/zinc/91/24/96/1055912496.db2.gz RCCSFHGOCJCLNT-AEFFLSMTSA-N 1 2 371.460 2.533 20 30 FFEDLO Cn1c([C@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001339035655 1056035080 /nfs/dbraw/zinc/03/50/80/1056035080.db2.gz MGKOBYWDWQNUGL-YLJYHZDGSA-N 1 2 368.460 2.984 20 30 FFEDLO Cn1c([C@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001339035655 1056035096 /nfs/dbraw/zinc/03/50/96/1056035096.db2.gz MGKOBYWDWQNUGL-YLJYHZDGSA-N 1 2 368.460 2.984 20 30 FFEDLO C=C(C)CCC(=O)N(C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001353255341 1056231251 /nfs/dbraw/zinc/23/12/51/1056231251.db2.gz UPLVWZWBHZJLFW-BRWVUGGUSA-N 1 2 358.486 2.567 20 30 FFEDLO C=C(C)CCC(=O)N(C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001353255341 1056231267 /nfs/dbraw/zinc/23/12/67/1056231267.db2.gz UPLVWZWBHZJLFW-BRWVUGGUSA-N 1 2 358.486 2.567 20 30 FFEDLO C#C[C@H]1CCCN(c2nnc([C@@H](CC(C)C)n3cc[nH+]c3)n2CCOC)C1 ZINC001358493849 1056337498 /nfs/dbraw/zinc/33/74/98/1056337498.db2.gz KKAZTAWJQFZADQ-ZWKOTPCHSA-N 1 2 370.501 2.606 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@@H](CC(C)C)n3cc[nH+]c3)n2CCOC)C1 ZINC001358493848 1056337820 /nfs/dbraw/zinc/33/78/20/1056337820.db2.gz KKAZTAWJQFZADQ-QZTJIDSGSA-N 1 2 370.501 2.606 20 30 FFEDLO C=CCC1(C(=O)NC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001358522895 1056358113 /nfs/dbraw/zinc/35/81/13/1056358113.db2.gz YYRXWNULQUSWJS-ARFHVFGLSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCC1(C(=O)NC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001358522895 1056358129 /nfs/dbraw/zinc/35/81/29/1056358129.db2.gz YYRXWNULQUSWJS-ARFHVFGLSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(c2ccon2)CC1 ZINC001339541911 1056565721 /nfs/dbraw/zinc/56/57/21/1056565721.db2.gz LOOVWKGQUCHIIY-KRWDZBQOSA-N 1 2 356.474 2.993 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(c2ccon2)CC1 ZINC001339541911 1056565731 /nfs/dbraw/zinc/56/57/31/1056565731.db2.gz LOOVWKGQUCHIIY-KRWDZBQOSA-N 1 2 356.474 2.993 20 30 FFEDLO C#CCN(C)c1nnc(CC(C)C)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001358949889 1056619593 /nfs/dbraw/zinc/61/95/93/1056619593.db2.gz QHTCCLDLQBAKOQ-UHFFFAOYSA-N 1 2 354.502 2.836 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)[C@@H](C)c1ccccc1 ZINC001339606309 1056630686 /nfs/dbraw/zinc/63/06/86/1056630686.db2.gz ISXDTUBHQMQPAQ-KRWDZBQOSA-N 1 2 369.513 2.866 20 30 FFEDLO C=CCC[C@H]1CCCN1c1nnc(C[NH+]2CCC(CO)CC2)n1CC=C ZINC001339606861 1056630726 /nfs/dbraw/zinc/63/07/26/1056630726.db2.gz NWLRBVKRTYXNKV-SFHVURJKSA-N 1 2 359.518 2.603 20 30 FFEDLO C#CCN(CC#CC)c1nnc(CC(C)C)n1CCc1cn2ccccc2[nH+]1 ZINC001358995057 1056637855 /nfs/dbraw/zinc/63/78/55/1056637855.db2.gz CSJKCCWULBGCQR-UHFFFAOYSA-N 1 2 374.492 2.830 20 30 FFEDLO C#CCN(CC)c1nnc(-c2cccn2C)n1CCCNc1cccc[nH+]1 ZINC001359006446 1056650755 /nfs/dbraw/zinc/65/07/55/1056650755.db2.gz VDVVKVGXXDUSOA-UHFFFAOYSA-N 1 2 363.469 2.640 20 30 FFEDLO C[C@H](c1cccc(O)c1)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001339627811 1056652719 /nfs/dbraw/zinc/65/27/19/1056652719.db2.gz JENVNDYPWKEITB-OAHLLOKOSA-N 1 2 368.485 2.811 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2C[C@H]2CCc3ccccc32)CC1 ZINC001359028874 1056665464 /nfs/dbraw/zinc/66/54/64/1056665464.db2.gz HMOOQSMWDOFABD-LJQANCHMSA-N 1 2 363.509 2.887 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C/C=C/CC)CC1 ZINC001359032230 1056665719 /nfs/dbraw/zinc/66/57/19/1056665719.db2.gz GYYIUDYBVRXBFE-AATRIKPKSA-N 1 2 370.888 2.715 20 30 FFEDLO C=C1CCN(c2nnc(CC3CC3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001359167457 1056755306 /nfs/dbraw/zinc/75/53/06/1056755306.db2.gz GXTWMJFQNLVNAH-UHFFFAOYSA-N 1 2 352.486 2.896 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@H+](Cc2coc(C)n2)C1 ZINC001500537571 1058522505 /nfs/dbraw/zinc/52/25/05/1058522505.db2.gz IIAHIPCMUAQPKE-BJLQDIEVSA-N 1 2 361.486 2.683 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@@H+](Cc2coc(C)n2)C1 ZINC001500537571 1058522526 /nfs/dbraw/zinc/52/25/26/1058522526.db2.gz IIAHIPCMUAQPKE-BJLQDIEVSA-N 1 2 361.486 2.683 20 30 FFEDLO COc1cc[nH+]cc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CC1 ZINC001504453369 1059182217 /nfs/dbraw/zinc/18/22/17/1059182217.db2.gz LKZSRMSGLJFKQX-UHFFFAOYSA-N 1 2 360.421 2.867 20 30 FFEDLO COc1cc[nH+]cc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC1 ZINC001300693238 1059368632 /nfs/dbraw/zinc/36/86/32/1059368632.db2.gz SBLGMSZQILHKRD-UHFFFAOYSA-N 1 2 360.421 2.869 20 30 FFEDLO Cc1cc(C)c(C(=O)N2CC[C@@H]3CN(C(=O)C#CC(C)C)C[C@@H]3C2)c(C)[nH+]1 ZINC001520217906 1059501697 /nfs/dbraw/zinc/50/16/97/1059501697.db2.gz PXLFXBOQRKGZME-MOPGFXCFSA-N 1 2 367.493 2.587 20 30 FFEDLO C#CCN(CC#C)c1nnc([C@H](C)CC)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001507641704 1059667651 /nfs/dbraw/zinc/66/76/51/1059667651.db2.gz CDEMNUJXPVYMBY-SJLPKXTDSA-N 1 2 364.497 2.947 20 30 FFEDLO O=C(/C=C\c1nccs1)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001520425270 1059675176 /nfs/dbraw/zinc/67/51/76/1059675176.db2.gz MYSPXBHLNDNJDO-ARJAWSKDSA-N 1 2 374.487 2.645 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C)n2Cc2oc3ccc(F)cc3c2C)CC1 ZINC001507719601 1059699329 /nfs/dbraw/zinc/69/93/29/1059699329.db2.gz OZTJPWHATDDJER-UHFFFAOYSA-N 1 2 367.428 2.584 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccn3)n2CC2(C(C)C)CC2)CC1 ZINC001507725370 1059703295 /nfs/dbraw/zinc/70/32/95/1059703295.db2.gz UIGLYDHHNBBFEO-UHFFFAOYSA-N 1 2 364.497 2.532 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)CC)CC1 ZINC001507724388 1059704004 /nfs/dbraw/zinc/70/40/04/1059704004.db2.gz DSHHGYGMUNSXFB-UHFFFAOYSA-N 1 2 352.486 2.532 20 30 FFEDLO C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001507762244 1059708994 /nfs/dbraw/zinc/70/89/94/1059708994.db2.gz SAFFPEJZENFVCR-MBOZVWFJSA-N 1 2 359.518 2.504 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CC)CCSC ZINC001516046219 1059940424 /nfs/dbraw/zinc/94/04/24/1059940424.db2.gz HQDDGMWZOGERNQ-MRXNPFEDSA-N 1 2 367.563 2.825 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(CC)CCSC ZINC001516046219 1059940444 /nfs/dbraw/zinc/94/04/44/1059940444.db2.gz HQDDGMWZOGERNQ-MRXNPFEDSA-N 1 2 367.563 2.825 20 30 FFEDLO C#C[C@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2C[C@@H]2CCCCO2)C1 ZINC001516865015 1060254060 /nfs/dbraw/zinc/25/40/60/1060254060.db2.gz DYSDUUMEFQWPJK-OALUTQOASA-N 1 2 371.529 2.683 20 30 FFEDLO N#CCC[NH+]1CCC(c2nnc(N3CCC[C@H](C#N)C3)n2CC2CC2)CC1 ZINC001521170983 1060447694 /nfs/dbraw/zinc/44/76/94/1060447694.db2.gz OBFWTNFLDUPDJC-QGZVFWFLSA-N 1 2 367.501 2.521 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC(C)C)C1 ZINC001517437091 1060501693 /nfs/dbraw/zinc/50/16/93/1060501693.db2.gz BCFQOTSOJDICEJ-GOSISDBHSA-N 1 2 368.529 2.877 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@@H]1CC1CCCC1 ZINC001355919435 1060726651 /nfs/dbraw/zinc/72/66/51/1060726651.db2.gz JFWPBPWNLQGMME-SQNIBIBYSA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H]1CC1CCCC1 ZINC001355919435 1060726664 /nfs/dbraw/zinc/72/66/64/1060726664.db2.gz JFWPBPWNLQGMME-SQNIBIBYSA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@@H]1c1ccc(C)cc1 ZINC001355920662 1060729823 /nfs/dbraw/zinc/72/98/23/1060729823.db2.gz VAYWSSYZVVSZEP-QRVBRYPASA-N 1 2 367.497 2.852 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H]1c1ccc(C)cc1 ZINC001355920662 1060729835 /nfs/dbraw/zinc/72/98/35/1060729835.db2.gz VAYWSSYZVVSZEP-QRVBRYPASA-N 1 2 367.497 2.852 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1Cc2ccccc2[C@H]1C ZINC001355967553 1060768948 /nfs/dbraw/zinc/76/89/48/1060768948.db2.gz CCHUGKIHEIGBQD-MRXNPFEDSA-N 1 2 367.497 2.750 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 ZINC001355969244 1060771229 /nfs/dbraw/zinc/77/12/29/1060771229.db2.gz QKSTYWHYPPHHPN-AEFFLSMTSA-N 1 2 361.534 2.683 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@](C)(C(F)(F)F)C1 ZINC001355976518 1060776258 /nfs/dbraw/zinc/77/62/58/1060776258.db2.gz LYGKRLYHZOGEGJ-INIZCTEOSA-N 1 2 368.407 2.957 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(F)cc1 ZINC001462275204 1061564821 /nfs/dbraw/zinc/56/48/21/1061564821.db2.gz GTVMIPUKCADWQM-OAHLLOKOSA-N 1 2 352.818 2.591 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3[nH+]ccn31)C2 ZINC001522178605 1061674790 /nfs/dbraw/zinc/67/47/90/1061674790.db2.gz OILUGDBBSKJEMP-YVSFHVDLSA-N 1 2 366.465 2.798 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001522288959 1061877567 /nfs/dbraw/zinc/87/75/67/1061877567.db2.gz AFHRASCCMKMQRY-TVFCKZIOSA-N 1 2 372.513 2.777 20 30 FFEDLO N#CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC001463718606 1062226703 /nfs/dbraw/zinc/22/67/03/1062226703.db2.gz PQNNCZGRRYUKAC-NRFANRHFSA-N 1 2 363.461 2.832 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1C[C@@H](C)OC2(CCCC2)C1 ZINC001523813376 1062631047 /nfs/dbraw/zinc/63/10/47/1062631047.db2.gz VYYQYLADWHSPMF-MRXNPFEDSA-N 1 2 370.501 2.716 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)Cc2cc(Cl)sc2Cl)C1 ZINC001464500692 1062648463 /nfs/dbraw/zinc/64/84/63/1062648463.db2.gz VXIRBPYIYZDIIW-LLVKDONJSA-N 1 2 367.323 2.572 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2cc(Cl)sc2Cl)C1 ZINC001464500692 1062648476 /nfs/dbraw/zinc/64/84/76/1062648476.db2.gz VXIRBPYIYZDIIW-LLVKDONJSA-N 1 2 367.323 2.572 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nncn3C)CC[C@@H]2C1 ZINC001479673018 1062788248 /nfs/dbraw/zinc/78/82/48/1062788248.db2.gz SRPGIQHFWWWXLZ-MSOLQXFVSA-N 1 2 361.534 2.846 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@@H]2C[N@H+](Cc3nncn3C)CC[C@@H]2C1 ZINC001479673018 1062788271 /nfs/dbraw/zinc/78/82/71/1062788271.db2.gz SRPGIQHFWWWXLZ-MSOLQXFVSA-N 1 2 361.534 2.846 20 30 FFEDLO Cc1ccc(-c2nc(C[N@H+]3CC[C@H](NC(=O)[C@H](C)C#N)[C@H]3C)co2)cc1 ZINC001479701773 1062828719 /nfs/dbraw/zinc/82/87/19/1062828719.db2.gz OLHDPXXPBWVSHX-RKVPGOIHSA-N 1 2 352.438 2.889 20 30 FFEDLO Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](NC(=O)[C@H](C)C#N)[C@H]3C)co2)cc1 ZINC001479701773 1062828743 /nfs/dbraw/zinc/82/87/43/1062828743.db2.gz OLHDPXXPBWVSHX-RKVPGOIHSA-N 1 2 352.438 2.889 20 30 FFEDLO CC[N@H+](CCNC(=O)[C@]12CCC[C@H]1OCC2)Cc1cc(F)ccc1C#N ZINC001492993721 1063084912 /nfs/dbraw/zinc/08/49/12/1063084912.db2.gz VZBNQKAKNIKELN-QUCCMNQESA-N 1 2 359.445 2.595 20 30 FFEDLO CC[N@@H+](CCNC(=O)[C@]12CCC[C@H]1OCC2)Cc1cc(F)ccc1C#N ZINC001492993721 1063084931 /nfs/dbraw/zinc/08/49/31/1063084931.db2.gz VZBNQKAKNIKELN-QUCCMNQESA-N 1 2 359.445 2.595 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](Cc1nsc2ccccc12)C1CC1 ZINC001493415239 1063156024 /nfs/dbraw/zinc/15/60/24/1063156024.db2.gz LIXKFAYJOAMXBX-AEFFLSMTSA-N 1 2 371.506 2.968 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](Cc1nsc2ccccc12)C1CC1 ZINC001493415239 1063156033 /nfs/dbraw/zinc/15/60/33/1063156033.db2.gz LIXKFAYJOAMXBX-AEFFLSMTSA-N 1 2 371.506 2.968 20 30 FFEDLO N#Cc1ccc2c(c1)C[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)C2 ZINC001470418838 1064329545 /nfs/dbraw/zinc/32/95/45/1064329545.db2.gz KXUAPMVQGZPGNO-NRFANRHFSA-N 1 2 371.444 2.770 20 30 FFEDLO Cc1nsc(N2CC[NH+](C[C@H]3COC4(CCCCC4)O3)CC2)c1C#N ZINC001473516165 1065277812 /nfs/dbraw/zinc/27/78/12/1065277812.db2.gz HNHRIZDBLOQVDS-HNNXBMFYSA-N 1 2 362.499 2.521 20 30 FFEDLO C#CCC[N@H+](CCOC)Cc1cccc(F)c1I ZINC001474643194 1065567896 /nfs/dbraw/zinc/56/78/96/1065567896.db2.gz NQJINXHZEOZXFX-UHFFFAOYSA-N 1 2 361.198 2.902 20 30 FFEDLO C#CCC[N@@H+](CCOC)Cc1cccc(F)c1I ZINC001474643194 1065567888 /nfs/dbraw/zinc/56/78/88/1065567888.db2.gz NQJINXHZEOZXFX-UHFFFAOYSA-N 1 2 361.198 2.902 20 30 FFEDLO C=C(C)C[C@H]([NH2+][C@H](C)CCN1C(=O)c2ccccc2C1=O)C(=O)OCC ZINC001474686096 1065579322 /nfs/dbraw/zinc/57/93/22/1065579322.db2.gz LKVMXRJTFJQOIH-PBHICJAKSA-N 1 2 358.438 2.549 20 30 FFEDLO CN(C)c1ccc(Cn2c(C3CCC3)nnc2N2CCC(C#N)CC2)c[nH+]1 ZINC001552822523 1075154279 /nfs/dbraw/zinc/15/42/79/1075154279.db2.gz JKHCVQUPLFVKOI-UHFFFAOYSA-N 1 2 365.485 2.795 20 30 FFEDLO C#C[C@@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1)c1ccc(F)cc1 ZINC001556730247 1075769386 /nfs/dbraw/zinc/76/93/86/1075769386.db2.gz JKVYGUZZGZITOD-UXHICEINSA-N 1 2 352.409 2.899 20 30 FFEDLO C#C[C@@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1)c1ccc(F)cc1 ZINC001556730247 1075769390 /nfs/dbraw/zinc/76/93/90/1075769390.db2.gz JKVYGUZZGZITOD-UXHICEINSA-N 1 2 352.409 2.899 20 30 FFEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1nccc(Oc2cccc(C#N)c2)n1 ZINC001559283459 1076145505 /nfs/dbraw/zinc/14/55/05/1076145505.db2.gz KAYSQTWUFRHZLN-INIZCTEOSA-N 1 2 353.426 2.663 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NCc2nc(N(C)C)n(-c3ccccc3)c2Cl)C1 ZINC001561006246 1076318621 /nfs/dbraw/zinc/31/86/21/1076318621.db2.gz MGYLXGGMGVDTPX-MRXNPFEDSA-N 1 2 371.916 2.779 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NCc2nc(N(C)C)n(-c3ccccc3)c2Cl)C1 ZINC001561006246 1076318625 /nfs/dbraw/zinc/31/86/25/1076318625.db2.gz MGYLXGGMGVDTPX-MRXNPFEDSA-N 1 2 371.916 2.779 20 30 FFEDLO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)c(C#N)c1 ZINC001561385140 1076370408 /nfs/dbraw/zinc/37/04/08/1076370408.db2.gz JWEJAYKRKFIUEN-HKUYNNGSSA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c(C#N)c1 ZINC001561385140 1076370410 /nfs/dbraw/zinc/37/04/10/1076370410.db2.gz JWEJAYKRKFIUEN-HKUYNNGSSA-N 1 2 373.453 2.730 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(CC)o2)C[C@H]1c1ccccc1 ZINC001565883054 1076777463 /nfs/dbraw/zinc/77/74/63/1076777463.db2.gz WIUVJFWDXRDPIT-ZWKOTPCHSA-N 1 2 366.465 2.520 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nnc(CC)o2)C[C@H]1c1ccccc1 ZINC001565883054 1076777467 /nfs/dbraw/zinc/77/74/67/1076777467.db2.gz WIUVJFWDXRDPIT-ZWKOTPCHSA-N 1 2 366.465 2.520 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CC[N@@H+]1CC(=O)Nc1ccc(C)cc1 ZINC001566012007 1076845819 /nfs/dbraw/zinc/84/58/19/1076845819.db2.gz DAYCHFKDFXFHEI-RBUKOAKNSA-N 1 2 369.509 2.952 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CC[N@H+]1CC(=O)Nc1ccc(C)cc1 ZINC001566012007 1076845823 /nfs/dbraw/zinc/84/58/23/1076845823.db2.gz DAYCHFKDFXFHEI-RBUKOAKNSA-N 1 2 369.509 2.952 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@@H+]1CC(=O)Nc1cc(C)cc(C)c1 ZINC001566012450 1076847005 /nfs/dbraw/zinc/84/70/05/1076847005.db2.gz URECEGLKFPJUOX-VQTJNVASSA-N 1 2 367.493 2.624 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@H+]1CC(=O)Nc1cc(C)cc(C)c1 ZINC001566012450 1076847010 /nfs/dbraw/zinc/84/70/10/1076847010.db2.gz URECEGLKFPJUOX-VQTJNVASSA-N 1 2 367.493 2.624 20 30 FFEDLO Cc1cccn2cc(CCNC(=O)C(F)(F)c3ccccc3C#N)[nH+]c12 ZINC001566187349 1076930479 /nfs/dbraw/zinc/93/04/79/1076930479.db2.gz JCWOPHTWSZZSSA-UHFFFAOYSA-N 1 2 354.360 2.965 20 30 FFEDLO N#Cc1ccc(OC2CN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC001567385413 1077022567 /nfs/dbraw/zinc/02/25/67/1077022567.db2.gz ILFIMDLZTOSGSS-UHFFFAOYSA-N 1 2 358.401 2.576 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001569900584 1077170851 /nfs/dbraw/zinc/17/08/51/1077170851.db2.gz TXDQJLBHTWNHFH-NSHGMRRFSA-N 1 2 362.901 2.794 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001569900584 1077170855 /nfs/dbraw/zinc/17/08/55/1077170855.db2.gz TXDQJLBHTWNHFH-NSHGMRRFSA-N 1 2 362.901 2.794 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001574256593 1077941289 /nfs/dbraw/zinc/94/12/89/1077941289.db2.gz XFHNZLVVHKMCPG-VLQPXKRTSA-N 1 2 370.497 2.605 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001574256593 1077941292 /nfs/dbraw/zinc/94/12/92/1077941292.db2.gz XFHNZLVVHKMCPG-VLQPXKRTSA-N 1 2 370.497 2.605 20 30 FFEDLO C#CC1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)CC1 ZINC001588331104 1079987858 /nfs/dbraw/zinc/98/78/58/1079987858.db2.gz OAXYQUAADKZOQK-UHFFFAOYSA-N 1 2 370.363 2.866 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CCc2sccc2C)CC1 ZINC001588806105 1080204228 /nfs/dbraw/zinc/20/42/28/1080204228.db2.gz GNPUTMCQHORXFJ-UHFFFAOYSA-N 1 2 369.538 2.913 20 30 FFEDLO Cc1cc(=NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)[nH]nc1C ZINC000532324296 540152737 /nfs/dbraw/zinc/15/27/37/540152737.db2.gz CIXCYJPQWVLUGP-UHFFFAOYSA-N 1 2 352.442 2.561 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C2(c3ccc(OC)cc3)CCC2)c1C#N ZINC000536303614 540576688 /nfs/dbraw/zinc/57/66/88/540576688.db2.gz WMPDCWTTWUCGHO-UHFFFAOYSA-N 1 2 367.453 2.502 20 30 FFEDLO Cn1c(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)nc2ccccc2c1=O ZINC000104713877 250184008 /nfs/dbraw/zinc/18/40/08/250184008.db2.gz NWIITMPVSOFUOP-UHFFFAOYSA-N 1 2 374.444 2.849 20 30 FFEDLO C[C@@H](C(=O)Nc1nccs1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104713439 250184859 /nfs/dbraw/zinc/18/48/59/250184859.db2.gz UEIWLRSFGZZMED-ZDUSSCGKSA-N 1 2 356.451 2.885 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(N3CCCCC3=O)CC2)c(C#N)c1C ZINC000153075454 251099460 /nfs/dbraw/zinc/09/94/60/251099460.db2.gz DYEUNHMIPZVQFN-CQSZACIVSA-N 1 2 372.469 2.572 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(C#N)c1C ZINC000285759423 257003275 /nfs/dbraw/zinc/00/32/75/257003275.db2.gz ZHHREPDFTSBBKB-BZNIZROVSA-N 1 2 373.375 2.874 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(C#N)c1C ZINC000285759423 257003276 /nfs/dbraw/zinc/00/32/76/257003276.db2.gz ZHHREPDFTSBBKB-BZNIZROVSA-N 1 2 373.375 2.874 20 30 FFEDLO CC[N@H+](Cc1nnnn1CC1CCOCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000277649098 256222019 /nfs/dbraw/zinc/22/20/19/256222019.db2.gz IEBLRWNTBVVYOJ-OAHLLOKOSA-N 1 2 354.458 2.554 20 30 FFEDLO CC[N@@H+](Cc1nnnn1CC1CCOCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000277649098 256222021 /nfs/dbraw/zinc/22/20/21/256222021.db2.gz IEBLRWNTBVVYOJ-OAHLLOKOSA-N 1 2 354.458 2.554 20 30 FFEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ccc(C#N)cc1Br ZINC000286178618 257023931 /nfs/dbraw/zinc/02/39/31/257023931.db2.gz XAHVGEYKQPFBCI-BBRMVZONSA-N 1 2 364.287 2.616 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1OC ZINC000286844302 257058205 /nfs/dbraw/zinc/05/82/05/257058205.db2.gz FZSYSXJYLBEKMS-UHFFFAOYSA-N 1 2 358.467 2.663 20 30 FFEDLO Cc1nc(C[NH+]2CCN(c3nc4cc(Cl)ccn4c3C#N)CC2)oc1C ZINC000287888840 257126507 /nfs/dbraw/zinc/12/65/07/257126507.db2.gz NMDCLLBXRTZTRU-UHFFFAOYSA-N 1 2 370.844 2.786 20 30 FFEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000287481580 257091795 /nfs/dbraw/zinc/09/17/95/257091795.db2.gz XBNUBJBOIHURLT-UHFFFAOYSA-N 1 2 362.271 2.908 20 30 FFEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3ccnc(C#N)c3)CC2)cs1 ZINC000288059401 257143801 /nfs/dbraw/zinc/14/38/01/257143801.db2.gz YFAXKNQGTZTFBU-AWEZNQCLSA-N 1 2 357.483 2.829 20 30 FFEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3ccnc(C#N)c3)CC2)cs1 ZINC000288059401 257143802 /nfs/dbraw/zinc/14/38/02/257143802.db2.gz YFAXKNQGTZTFBU-AWEZNQCLSA-N 1 2 357.483 2.829 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(C#N)c1C ZINC000289408907 257279605 /nfs/dbraw/zinc/27/96/05/257279605.db2.gz AASMAHDIJQQDOG-ZDUSSCGKSA-N 1 2 363.874 2.972 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(C#N)c1C ZINC000289408907 257279606 /nfs/dbraw/zinc/27/96/06/257279606.db2.gz AASMAHDIJQQDOG-ZDUSSCGKSA-N 1 2 363.874 2.972 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(C#N)c(F)c3)c[nH+]2)CCO1 ZINC000290150233 257317489 /nfs/dbraw/zinc/31/74/89/257317489.db2.gz LFEPNTKCWNSTJM-ZDUSSCGKSA-N 1 2 369.400 2.639 20 30 FFEDLO C[C@@H](c1nnnn1C1CCCCC1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292294276 257480732 /nfs/dbraw/zinc/48/07/32/257480732.db2.gz ULBKYEPYQAUBCV-YOEHRIQHSA-N 1 2 367.457 2.659 20 30 FFEDLO C[C@@H](c1nnnn1C1CCCCC1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292294276 257480734 /nfs/dbraw/zinc/48/07/34/257480734.db2.gz ULBKYEPYQAUBCV-YOEHRIQHSA-N 1 2 367.457 2.659 20 30 FFEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cc(Cl)ccc3C#N)CC2)C1 ZINC000301204658 258034146 /nfs/dbraw/zinc/03/41/46/258034146.db2.gz PEEXLARDKVTMJL-HOTGVXAUSA-N 1 2 374.916 2.838 20 30 FFEDLO Cc1ccccc1-c1noc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)n1 ZINC000301271734 258039141 /nfs/dbraw/zinc/03/91/41/258039141.db2.gz KDGCPGUIOXCGDJ-UHFFFAOYSA-N 1 2 360.421 2.634 20 30 FFEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000299539630 258003766 /nfs/dbraw/zinc/00/37/66/258003766.db2.gz OSXVBLDJKMGRFJ-MRXNPFEDSA-N 1 2 353.426 2.685 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1C#N ZINC000330735875 258169534 /nfs/dbraw/zinc/16/95/34/258169534.db2.gz MWXQSIBYWIGTNE-UHFFFAOYSA-N 1 2 362.499 2.573 20 30 FFEDLO Cc1nc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)sc1C ZINC000331775747 258200218 /nfs/dbraw/zinc/20/02/18/258200218.db2.gz CBBNRYQXSWYBBK-UHFFFAOYSA-N 1 2 369.494 2.659 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000369855953 512648890 /nfs/dbraw/zinc/64/88/90/512648890.db2.gz KYXDGQQXWKYTDX-GFCCVEGCSA-N 1 2 350.831 2.503 20 30 FFEDLO C[C@H](C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C)n1cnc(C#N)n1 ZINC000409881931 512159636 /nfs/dbraw/zinc/15/96/36/512159636.db2.gz ZZLUGUQUHBCJJL-LLVKDONJSA-N 1 2 351.414 2.534 20 30 FFEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000375198446 512208170 /nfs/dbraw/zinc/20/81/70/512208170.db2.gz WQWJIPXPFAWOIR-LBPRGKRZSA-N 1 2 370.356 2.826 20 30 FFEDLO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(-n3cc[nH+]c3)nn2)cc1 ZINC000066396155 506504887 /nfs/dbraw/zinc/50/48/87/506504887.db2.gz PGJOLYCZGUXTBT-QGZVFWFLSA-N 1 2 360.421 2.954 20 30 FFEDLO C=CC[N@@H+](Cc1cc(=O)oc2c(C)c(C)ccc12)[C@H]1CCS(=O)(=O)C1 ZINC000066560975 506555856 /nfs/dbraw/zinc/55/58/56/506555856.db2.gz GHZJJSHZBJXOOI-INIZCTEOSA-N 1 2 361.463 2.585 20 30 FFEDLO C=CC[N@H+](Cc1cc(=O)oc2c(C)c(C)ccc12)[C@H]1CCS(=O)(=O)C1 ZINC000066560975 506555861 /nfs/dbraw/zinc/55/58/61/506555861.db2.gz GHZJJSHZBJXOOI-INIZCTEOSA-N 1 2 361.463 2.585 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000410563606 512293913 /nfs/dbraw/zinc/29/39/13/512293913.db2.gz QTXDIBKIPHUIPX-HKUYNNGSSA-N 1 2 372.513 2.888 20 30 FFEDLO Cc1ccc([C@@H](CNC(=O)c2cccc(CC#N)c2)[NH+]2CCOCC2)cc1 ZINC000055809155 506856702 /nfs/dbraw/zinc/85/67/02/506856702.db2.gz NCQLAYWEEVLAMW-OAQYLSRUSA-N 1 2 363.461 2.864 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1csc(Br)c1 ZINC000067462869 506889907 /nfs/dbraw/zinc/88/99/07/506889907.db2.gz JOJTZTNJVHBLGP-AWEZNQCLSA-N 1 2 358.305 2.997 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1csc(Br)c1 ZINC000067462869 506889914 /nfs/dbraw/zinc/88/99/14/506889914.db2.gz JOJTZTNJVHBLGP-AWEZNQCLSA-N 1 2 358.305 2.997 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000067614532 506951616 /nfs/dbraw/zinc/95/16/16/506951616.db2.gz PZTYOQCJHIKPLG-SFTDATJTSA-N 1 2 360.461 2.942 20 30 FFEDLO CSc1nc(C2CC2)cc(C(=O)NCc2ccc(N(C)C)[nH+]c2)c1C#N ZINC000046387336 507128025 /nfs/dbraw/zinc/12/80/25/507128025.db2.gz FKVSCTQTOSNNED-UHFFFAOYSA-N 1 2 367.478 2.944 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)COc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000018236091 507146804 /nfs/dbraw/zinc/14/68/04/507146804.db2.gz UWVDNAZKWIOJSS-IBGZPJMESA-N 1 2 364.380 2.715 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)cc1Cl ZINC000068428385 507227498 /nfs/dbraw/zinc/22/74/98/507227498.db2.gz DOEAAZHYGOQLFS-UHFFFAOYSA-N 1 2 360.889 2.736 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000023009311 507324736 /nfs/dbraw/zinc/32/47/36/507324736.db2.gz LZCXINZQXABIFZ-HXUWFJFHSA-N 1 2 374.916 2.656 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000023009311 507324742 /nfs/dbraw/zinc/32/47/42/507324742.db2.gz LZCXINZQXABIFZ-HXUWFJFHSA-N 1 2 374.916 2.656 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000057844833 507342113 /nfs/dbraw/zinc/34/21/13/507342113.db2.gz JBVSJPJMKKRSQC-ZDUSSCGKSA-N 1 2 371.407 2.608 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)NC3CCCCCC3)CC2)cc1 ZINC000023257802 507343290 /nfs/dbraw/zinc/34/32/90/507343290.db2.gz YVQRPBNBVRXZJA-UHFFFAOYSA-N 1 2 354.498 2.515 20 30 FFEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000069025029 507382569 /nfs/dbraw/zinc/38/25/69/507382569.db2.gz JOKFEIHERKCBHW-UHFFFAOYSA-N 1 2 371.387 2.673 20 30 FFEDLO Cc1ccc(C#N)cc1NC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000058453259 507421736 /nfs/dbraw/zinc/42/17/36/507421736.db2.gz KUWXVHKPVHGLOU-UHFFFAOYSA-N 1 2 374.448 2.864 20 30 FFEDLO COC(=O)c1oc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1C ZINC000048054640 507443294 /nfs/dbraw/zinc/44/32/94/507443294.db2.gz ASBDQYFTRXSHND-UHFFFAOYSA-N 1 2 357.385 2.708 20 30 FFEDLO C=CCc1ccc(OCC(=O)NCCc2cn3ccccc3[nH+]2)c(OC)c1 ZINC000025526887 507509012 /nfs/dbraw/zinc/50/90/12/507509012.db2.gz JPGBRCXOTCJDTP-UHFFFAOYSA-N 1 2 365.433 2.809 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375463875 512341527 /nfs/dbraw/zinc/34/15/27/512341527.db2.gz ALKVEBZOVFKJBW-SWLSCSKDSA-N 1 2 351.410 2.635 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375463875 512341533 /nfs/dbraw/zinc/34/15/33/512341533.db2.gz ALKVEBZOVFKJBW-SWLSCSKDSA-N 1 2 351.410 2.635 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCOC3CCCC3)CC2)cc1 ZINC000061017535 507591390 /nfs/dbraw/zinc/59/13/90/507591390.db2.gz YAONKWLHJCNKJK-UHFFFAOYSA-N 1 2 370.497 2.735 20 30 FFEDLO CCOc1cc(C#N)ccc1OC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000049362735 507615193 /nfs/dbraw/zinc/61/51/93/507615193.db2.gz ZBLJBHWCLPSJTB-UHFFFAOYSA-N 1 2 368.437 2.508 20 30 FFEDLO CCOc1cc(C#N)ccc1OC(=O)C1CCN(Cc2[nH+]ccn2C)CC1 ZINC000049362735 507615198 /nfs/dbraw/zinc/61/51/98/507615198.db2.gz ZBLJBHWCLPSJTB-UHFFFAOYSA-N 1 2 368.437 2.508 20 30 FFEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@@H](O)C2)c1C#N ZINC000070739180 507626875 /nfs/dbraw/zinc/62/68/75/507626875.db2.gz ICKHRXDBSWJROS-QGZVFWFLSA-N 1 2 370.428 2.500 20 30 FFEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@@H](O)C2)c1C#N ZINC000070739180 507626882 /nfs/dbraw/zinc/62/68/82/507626882.db2.gz ICKHRXDBSWJROS-QGZVFWFLSA-N 1 2 370.428 2.500 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc3c(c2)OCO3)c(C#N)c1C ZINC000027227895 507640300 /nfs/dbraw/zinc/64/03/00/507640300.db2.gz LPRVIRGCWPNIGJ-GFCCVEGCSA-N 1 2 355.394 2.956 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc3c(c2)OCO3)c(C#N)c1C ZINC000027227895 507640308 /nfs/dbraw/zinc/64/03/08/507640308.db2.gz LPRVIRGCWPNIGJ-GFCCVEGCSA-N 1 2 355.394 2.956 20 30 FFEDLO C=CC[N@@H+](CC(=O)NCc1ccccc1OC)Cc1cccc([N+](=O)[O-])c1 ZINC000063297792 507714351 /nfs/dbraw/zinc/71/43/51/507714351.db2.gz JDMGCBSBLPRUAC-UHFFFAOYSA-N 1 2 369.421 2.908 20 30 FFEDLO C=CC[N@H+](CC(=O)NCc1ccccc1OC)Cc1cccc([N+](=O)[O-])c1 ZINC000063297792 507714359 /nfs/dbraw/zinc/71/43/59/507714359.db2.gz JDMGCBSBLPRUAC-UHFFFAOYSA-N 1 2 369.421 2.908 20 30 FFEDLO CC(C)CCc1noc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000063482646 507737135 /nfs/dbraw/zinc/73/71/35/507737135.db2.gz VLMSVFBVEFBFJM-UHFFFAOYSA-N 1 2 353.470 2.848 20 30 FFEDLO COCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccc(C#N)cc1 ZINC000063754524 507767558 /nfs/dbraw/zinc/76/75/58/507767558.db2.gz LHTHORUPWLWUJA-UHFFFAOYSA-N 1 2 368.481 2.692 20 30 FFEDLO COCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccc(C#N)cc1 ZINC000063754524 507767563 /nfs/dbraw/zinc/76/75/63/507767563.db2.gz LHTHORUPWLWUJA-UHFFFAOYSA-N 1 2 368.481 2.692 20 30 FFEDLO CCc1cccc(C)c1NC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029444791 507778106 /nfs/dbraw/zinc/77/81/06/507778106.db2.gz AQZPHOSLASEKHX-UHFFFAOYSA-N 1 2 363.465 2.585 20 30 FFEDLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029449892 507778187 /nfs/dbraw/zinc/77/81/87/507778187.db2.gz PLBMWIXMJLEYHW-OAHLLOKOSA-N 1 2 367.428 2.550 20 30 FFEDLO C=CC[NH+](CC=C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000051766987 507784601 /nfs/dbraw/zinc/78/46/01/507784601.db2.gz UHSNFAHLDVYQOW-OAHLLOKOSA-N 1 2 367.371 2.967 20 30 FFEDLO N#Cc1ccsc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000052034283 507794441 /nfs/dbraw/zinc/79/44/41/507794441.db2.gz NZUSINBFQWUDKL-UHFFFAOYSA-N 1 2 350.447 2.840 20 30 FFEDLO N#Cc1ccsc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000052034283 507794442 /nfs/dbraw/zinc/79/44/42/507794442.db2.gz NZUSINBFQWUDKL-UHFFFAOYSA-N 1 2 350.447 2.840 20 30 FFEDLO COC(=O)[C@H](c1ccccc1F)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000072556737 507823704 /nfs/dbraw/zinc/82/37/04/507823704.db2.gz MRGLXJOSIQECGV-FQEVSTJZSA-N 1 2 367.424 2.729 20 30 FFEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000072692973 507843200 /nfs/dbraw/zinc/84/32/00/507843200.db2.gz PSXXFBOXSCBDJM-QGZVFWFLSA-N 1 2 359.470 2.594 20 30 FFEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000072692973 507843202 /nfs/dbraw/zinc/84/32/02/507843202.db2.gz PSXXFBOXSCBDJM-QGZVFWFLSA-N 1 2 359.470 2.594 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000072774411 507852175 /nfs/dbraw/zinc/85/21/75/507852175.db2.gz DVIZDBPEYDVIHT-UTKZUKDTSA-N 1 2 367.497 2.806 20 30 FFEDLO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078269202 507853041 /nfs/dbraw/zinc/85/30/41/507853041.db2.gz XBDHHQDUGDFBTR-QUCCMNQESA-N 1 2 354.498 2.516 20 30 FFEDLO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000078269204 507853142 /nfs/dbraw/zinc/85/31/42/507853142.db2.gz XBDHHQDUGDFBTR-UYAOXDASSA-N 1 2 354.498 2.516 20 30 FFEDLO C=CC1CCN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)CC1 ZINC000089947148 507888919 /nfs/dbraw/zinc/88/89/19/507888919.db2.gz LKUYFRNSFYUFIT-UHFFFAOYSA-N 1 2 352.438 2.814 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000369354453 512367781 /nfs/dbraw/zinc/36/77/81/512367781.db2.gz RWKAQPAFGXVNHQ-CYBMUJFWSA-N 1 2 364.858 2.513 20 30 FFEDLO Cc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(Cl)c1 ZINC000080161867 508045609 /nfs/dbraw/zinc/04/56/09/508045609.db2.gz QJNOFIFHKMBXNK-UHFFFAOYSA-N 1 2 350.850 2.728 20 30 FFEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000080332768 508066788 /nfs/dbraw/zinc/06/67/88/508066788.db2.gz OFXZUOBYGAVIOO-HXUWFJFHSA-N 1 2 366.465 2.853 20 30 FFEDLO CN(C)C(=O)c1cccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000080906558 508110214 /nfs/dbraw/zinc/11/02/14/508110214.db2.gz KIDJYYNZMXUZMA-NRFANRHFSA-N 1 2 362.477 2.771 20 30 FFEDLO CCOC(=O)c1cnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000075968648 508148057 /nfs/dbraw/zinc/14/80/57/508148057.db2.gz SPCZNTDCVMDNPQ-UHFFFAOYSA-N 1 2 356.451 2.514 20 30 FFEDLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)CC(=O)N(CC)CCC#N ZINC000112350071 508176710 /nfs/dbraw/zinc/17/67/10/508176710.db2.gz SZIGHBZBBOPEDQ-UHFFFAOYSA-N 1 2 364.877 2.753 20 30 FFEDLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)CC(=O)N(CC)CCC#N ZINC000112350071 508176713 /nfs/dbraw/zinc/17/67/13/508176713.db2.gz SZIGHBZBBOPEDQ-UHFFFAOYSA-N 1 2 364.877 2.753 20 30 FFEDLO COc1ccc(-c2noc(CO[NH+]=C(N)Cc3csc(C)n3)n2)cc1 ZINC000112969029 508236141 /nfs/dbraw/zinc/23/61/41/508236141.db2.gz LOBBKJAHBBYYNA-UHFFFAOYSA-N 1 2 359.411 2.542 20 30 FFEDLO Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554517 508245278 /nfs/dbraw/zinc/24/52/78/508245278.db2.gz VCVZRSLPNMHAEE-SFHVURJKSA-N 1 2 362.477 2.694 20 30 FFEDLO COc1ccc(CCC(=O)N2CCC[N@H+](C[C@H](C#N)CCC#N)CC2)cc1 ZINC000101587227 508249739 /nfs/dbraw/zinc/24/97/39/508249739.db2.gz QPNGQZZTIMBCDZ-IBGZPJMESA-N 1 2 368.481 2.606 20 30 FFEDLO COc1ccc(CCC(=O)N2CCC[N@@H+](C[C@H](C#N)CCC#N)CC2)cc1 ZINC000101587227 508249741 /nfs/dbraw/zinc/24/97/41/508249741.db2.gz QPNGQZZTIMBCDZ-IBGZPJMESA-N 1 2 368.481 2.606 20 30 FFEDLO N#C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CCN1Cc1ccccc1 ZINC000114310455 508303487 /nfs/dbraw/zinc/30/34/87/508303487.db2.gz KJJXNLRNDOMAHP-NRFANRHFSA-N 1 2 371.444 2.722 20 30 FFEDLO N#Cc1cc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1F ZINC000077497925 508323824 /nfs/dbraw/zinc/32/38/24/508323824.db2.gz IQXZFHKNWVWEIG-GOSISDBHSA-N 1 2 368.412 2.720 20 30 FFEDLO N#Cc1cc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1F ZINC000077497925 508323826 /nfs/dbraw/zinc/32/38/26/508323826.db2.gz IQXZFHKNWVWEIG-GOSISDBHSA-N 1 2 368.412 2.720 20 30 FFEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000104715745 508342486 /nfs/dbraw/zinc/34/24/86/508342486.db2.gz AOJMJVIVMCIRIF-UHFFFAOYSA-N 1 2 366.465 2.744 20 30 FFEDLO FC(F)(F)Oc1ccc(C#CC[NH+]2CCN(c3cnccn3)CC2)cc1 ZINC000156347477 508405702 /nfs/dbraw/zinc/40/57/02/508405702.db2.gz KMOSTRVXHARGQT-UHFFFAOYSA-N 1 2 362.355 2.549 20 30 FFEDLO Cc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)c(Br)c1 ZINC000156421675 508418905 /nfs/dbraw/zinc/41/89/05/508418905.db2.gz MTYPKJTZRVLMTC-UHFFFAOYSA-N 1 2 366.303 2.805 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(OC3CCCC3)CC2)c1 ZINC000156697048 508464161 /nfs/dbraw/zinc/46/41/61/508464161.db2.gz BXSHFINRSCYGLZ-UHFFFAOYSA-N 1 2 362.495 2.756 20 30 FFEDLO N#CC[N@@H+](C[C@@H](O)COc1ccc(Br)cc1)C1CCCC1 ZINC000156712387 508466857 /nfs/dbraw/zinc/46/68/57/508466857.db2.gz VIBIJVXNAPZADV-OAHLLOKOSA-N 1 2 353.260 2.957 20 30 FFEDLO N#CC[N@H+](C[C@@H](O)COc1ccc(Br)cc1)C1CCCC1 ZINC000156712387 508466861 /nfs/dbraw/zinc/46/68/61/508466861.db2.gz VIBIJVXNAPZADV-OAHLLOKOSA-N 1 2 353.260 2.957 20 30 FFEDLO C[C@H]1CN(C)c2ccccc2C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156835493 508483746 /nfs/dbraw/zinc/48/37/46/508483746.db2.gz VHDWTZFRXZUZQX-INIZCTEOSA-N 1 2 369.490 2.672 20 30 FFEDLO C[C@H]1CN(C)c2ccccc2C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156835493 508483749 /nfs/dbraw/zinc/48/37/49/508483749.db2.gz VHDWTZFRXZUZQX-INIZCTEOSA-N 1 2 369.490 2.672 20 30 FFEDLO C=CCC[C@H](O)C[N@@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC000122243670 508505089 /nfs/dbraw/zinc/50/50/89/508505089.db2.gz OTLCAAYAWPPODU-GJZGRUSLSA-N 1 2 356.260 2.922 20 30 FFEDLO C=CCC[C@H](O)C[N@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC000122243670 508505090 /nfs/dbraw/zinc/50/50/90/508505090.db2.gz OTLCAAYAWPPODU-GJZGRUSLSA-N 1 2 356.260 2.922 20 30 FFEDLO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000134225981 508509908 /nfs/dbraw/zinc/50/99/08/508509908.db2.gz QYTRQFRKFCIKGM-MGPUTAFESA-N 1 2 370.474 2.656 20 30 FFEDLO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000134225981 508509910 /nfs/dbraw/zinc/50/99/10/508509910.db2.gz QYTRQFRKFCIKGM-MGPUTAFESA-N 1 2 370.474 2.656 20 30 FFEDLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000134225961 508510301 /nfs/dbraw/zinc/51/03/01/508510301.db2.gz QYTRQFRKFCIKGM-QRWLVFNGSA-N 1 2 370.474 2.656 20 30 FFEDLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000134225961 508510305 /nfs/dbraw/zinc/51/03/05/508510305.db2.gz QYTRQFRKFCIKGM-QRWLVFNGSA-N 1 2 370.474 2.656 20 30 FFEDLO C[C@H](C(=O)N(CC#N)C1CCCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000128260923 508569583 /nfs/dbraw/zinc/56/95/83/508569583.db2.gz OFGIZMAHZNWGPW-MRXNPFEDSA-N 1 2 358.461 2.631 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1OC(F)F ZINC000122938542 508609973 /nfs/dbraw/zinc/60/99/73/508609973.db2.gz DKYQHWGPXBYXGT-UHFFFAOYSA-N 1 2 374.391 2.885 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000128839455 508649928 /nfs/dbraw/zinc/64/99/28/508649928.db2.gz BZGKVBYJABFFCM-OCCSQVGLSA-N 1 2 359.227 2.589 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367258024 512411089 /nfs/dbraw/zinc/41/10/89/512411089.db2.gz AKHRCECXGXCRBH-KURKYZTESA-N 1 2 354.498 2.832 20 30 FFEDLO COc1ccc(OC)c(C[N@H+](CCO)Cc2cc(C#N)ccc2OC)c1 ZINC000118961035 508695719 /nfs/dbraw/zinc/69/57/19/508695719.db2.gz ROAFTRRQXBCNRS-UHFFFAOYSA-N 1 2 356.422 2.579 20 30 FFEDLO COc1ccc(OC)c(C[N@@H+](CCO)Cc2cc(C#N)ccc2OC)c1 ZINC000118961035 508695721 /nfs/dbraw/zinc/69/57/21/508695721.db2.gz ROAFTRRQXBCNRS-UHFFFAOYSA-N 1 2 356.422 2.579 20 30 FFEDLO CCO[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000140202386 508800538 /nfs/dbraw/zinc/80/05/38/508800538.db2.gz IXCIXHJGESNPSS-NRFANRHFSA-N 1 2 363.461 2.980 20 30 FFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000154866135 508872783 /nfs/dbraw/zinc/87/27/83/508872783.db2.gz OYZSGHGZHGTSIZ-UHFFFAOYSA-N 1 2 350.422 2.947 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(Br)c1 ZINC000154872675 508873356 /nfs/dbraw/zinc/87/33/56/508873356.db2.gz CDJDKWAOOPFEGM-CYBMUJFWSA-N 1 2 372.270 2.821 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(Br)c1 ZINC000154872675 508873359 /nfs/dbraw/zinc/87/33/59/508873359.db2.gz CDJDKWAOOPFEGM-CYBMUJFWSA-N 1 2 372.270 2.821 20 30 FFEDLO N#CCSCCC[N@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000124720811 508875327 /nfs/dbraw/zinc/87/53/27/508875327.db2.gz ZEACJWARHDCEPD-AWEZNQCLSA-N 1 2 357.401 2.825 20 30 FFEDLO N#CCSCCC[N@@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000124720811 508875323 /nfs/dbraw/zinc/87/53/23/508875323.db2.gz ZEACJWARHDCEPD-AWEZNQCLSA-N 1 2 357.401 2.825 20 30 FFEDLO Cc1cccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000159769584 508887882 /nfs/dbraw/zinc/88/78/82/508887882.db2.gz VXCWGHPCQAHGJF-LJQANCHMSA-N 1 2 355.463 2.873 20 30 FFEDLO Cc1cccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000159769584 508887886 /nfs/dbraw/zinc/88/78/86/508887886.db2.gz VXCWGHPCQAHGJF-LJQANCHMSA-N 1 2 355.463 2.873 20 30 FFEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000159907011 508909333 /nfs/dbraw/zinc/90/93/33/508909333.db2.gz LMMJVKQQSINHRR-ZDUSSCGKSA-N 1 2 372.387 2.721 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@H]1c1cccn1C ZINC000131810638 508972492 /nfs/dbraw/zinc/97/24/92/508972492.db2.gz ZVRPJTUTSVJHPM-ICSRJNTNSA-N 1 2 356.466 2.567 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000131810638 508972494 /nfs/dbraw/zinc/97/24/94/508972494.db2.gz ZVRPJTUTSVJHPM-ICSRJNTNSA-N 1 2 356.466 2.567 20 30 FFEDLO N#CCC[C@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000151425176 509013432 /nfs/dbraw/zinc/01/34/32/509013432.db2.gz KRDUSFOFVPZSGQ-FQEVSTJZSA-N 1 2 363.465 2.954 20 30 FFEDLO C=CCOc1ccccc1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000120544561 509017963 /nfs/dbraw/zinc/01/79/63/509017963.db2.gz INSBQVVFOYNZCD-QGZVFWFLSA-N 1 2 352.438 2.725 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CCc1ccc(C#N)cc1 ZINC000155662540 509048063 /nfs/dbraw/zinc/04/80/63/509048063.db2.gz QSAGCPUPRNXUDE-UHFFFAOYSA-N 1 2 350.422 2.670 20 30 FFEDLO CC(C)[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000120747989 509057901 /nfs/dbraw/zinc/05/79/01/509057901.db2.gz BWGHAIDRBGSZND-CQSZACIVSA-N 1 2 356.817 2.847 20 30 FFEDLO N#CCCN(CC1CC1)C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000132779782 509073898 /nfs/dbraw/zinc/07/38/98/509073898.db2.gz FYFGCSPIWIDUQG-UHFFFAOYSA-N 1 2 364.405 2.965 20 30 FFEDLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000121147891 509138106 /nfs/dbraw/zinc/13/81/06/509138106.db2.gz XQOTURJEORGVLS-UYAOXDASSA-N 1 2 354.498 2.660 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3nc(C)ccc3C#N)CC2)cc(OC)c1 ZINC000161694821 509144873 /nfs/dbraw/zinc/14/48/73/509144873.db2.gz UQPDQFVNLHYHKN-UHFFFAOYSA-N 1 2 352.438 2.601 20 30 FFEDLO Cc1cc(C#N)ccc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000161716179 509147162 /nfs/dbraw/zinc/14/71/62/509147162.db2.gz DGIYHLJMYOZYTD-HOTGVXAUSA-N 1 2 364.449 2.805 20 30 FFEDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000191808576 509191924 /nfs/dbraw/zinc/19/19/24/509191924.db2.gz NNZRBINBVBTDIP-ZDUSSCGKSA-N 1 2 369.284 2.801 20 30 FFEDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000191808576 509191932 /nfs/dbraw/zinc/19/19/32/509191932.db2.gz NNZRBINBVBTDIP-ZDUSSCGKSA-N 1 2 369.284 2.801 20 30 FFEDLO N#CCCCOc1cccc(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000188681136 509210401 /nfs/dbraw/zinc/21/04/01/509210401.db2.gz SOCFHMPQQXRBOI-IBGZPJMESA-N 1 2 357.454 2.951 20 30 FFEDLO N#CCCCOc1cccc(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000188681136 509210410 /nfs/dbraw/zinc/21/04/10/509210410.db2.gz SOCFHMPQQXRBOI-IBGZPJMESA-N 1 2 357.454 2.951 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)C[C@@H](C)C#N ZINC000195652015 509213954 /nfs/dbraw/zinc/21/39/54/509213954.db2.gz GOTJDLZIOZBNLD-RDJZCZTQSA-N 1 2 357.454 2.603 20 30 FFEDLO CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)C[C@@H](C)C#N ZINC000195652015 509213962 /nfs/dbraw/zinc/21/39/62/509213962.db2.gz GOTJDLZIOZBNLD-RDJZCZTQSA-N 1 2 357.454 2.603 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264072350 509316637 /nfs/dbraw/zinc/31/66/37/509316637.db2.gz BNGXWUSHGZCTIF-UHFFFAOYSA-N 1 2 366.446 2.973 20 30 FFEDLO N#Cc1cc(F)ccc1N1CC[NH+](Cc2nc(N)c3ccccc3n2)CC1 ZINC000267194745 509389366 /nfs/dbraw/zinc/38/93/66/509389366.db2.gz ICCSMWORYZNTNH-UHFFFAOYSA-N 1 2 362.412 2.545 20 30 FFEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000163793899 509423373 /nfs/dbraw/zinc/42/33/73/509423373.db2.gz SODXBCSASONGIX-FOIQADDNSA-N 1 2 365.481 2.963 20 30 FFEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000163793899 509423378 /nfs/dbraw/zinc/42/33/78/509423378.db2.gz SODXBCSASONGIX-FOIQADDNSA-N 1 2 365.481 2.963 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000189141293 509432299 /nfs/dbraw/zinc/43/22/99/509432299.db2.gz UBBHKYBCZYLUTI-AWEZNQCLSA-N 1 2 352.394 2.821 20 30 FFEDLO CC(C)=CCOc1cccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000173361735 509553796 /nfs/dbraw/zinc/55/37/96/509553796.db2.gz YKUPKRMGALBVQT-UHFFFAOYSA-N 1 2 371.481 2.720 20 30 FFEDLO Cc1ccc(NC(=O)C(=O)NCCSCc2ccccc2C#N)c(C)[nH+]1 ZINC000176546275 509574224 /nfs/dbraw/zinc/57/42/24/509574224.db2.gz UOMJWLJUCWSXLW-UHFFFAOYSA-N 1 2 368.462 2.558 20 30 FFEDLO Cc1cccc(NC(=O)CN2CC[NH+](Cc3cc(C#N)cs3)CC2)c1C ZINC000179711603 509586988 /nfs/dbraw/zinc/58/69/88/509586988.db2.gz ZPJDPWBFTHMFEF-UHFFFAOYSA-N 1 2 368.506 2.993 20 30 FFEDLO Cc1ccc(CC(=O)N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)cc1 ZINC000264561055 509600646 /nfs/dbraw/zinc/60/06/46/509600646.db2.gz OITPKVJAOQGWGE-UHFFFAOYSA-N 1 2 363.461 2.784 20 30 FFEDLO C=CCC1(C(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)CCC1 ZINC000189507911 509609185 /nfs/dbraw/zinc/60/91/85/509609185.db2.gz AKXVPYLMIPLUKU-UHFFFAOYSA-N 1 2 358.482 2.965 20 30 FFEDLO N#Cc1csc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000179872960 509655702 /nfs/dbraw/zinc/65/57/02/509655702.db2.gz JBPBDEITHLIVBA-UHFFFAOYSA-N 1 2 367.521 2.624 20 30 FFEDLO Cn1cc(C[NH+]2CCN(CC(F)(F)F)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179895856 509664915 /nfs/dbraw/zinc/66/49/15/509664915.db2.gz BPOHHZCLVUBIOX-UHFFFAOYSA-N 1 2 363.387 2.639 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)Cn2nc(C(F)(F)F)c3c[nH+]ccc32)cc1 ZINC000193004782 509734324 /nfs/dbraw/zinc/73/43/24/509734324.db2.gz GOBGOFDHEXDIDN-LBPRGKRZSA-N 1 2 362.311 2.762 20 30 FFEDLO Cc1cccn2cc(CNS(=O)(=O)c3ccc(C#N)cc3Cl)[nH+]c12 ZINC000180245650 509831283 /nfs/dbraw/zinc/83/12/83/509831283.db2.gz HJQSGZLMNVNRMD-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO CC[NH+](CC)[C@H](CNS(=O)(=O)CC1(C#N)CC1)c1ccccc1Cl ZINC000180391239 509899671 /nfs/dbraw/zinc/89/96/71/509899671.db2.gz ATXUKTFGVPKAOD-MRXNPFEDSA-N 1 2 369.918 2.946 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000255048232 509915771 /nfs/dbraw/zinc/91/57/71/509915771.db2.gz JNAWOMOAQSNOKL-DBBZSVRUSA-N 1 2 353.510 2.907 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255048232 509915775 /nfs/dbraw/zinc/91/57/75/509915775.db2.gz JNAWOMOAQSNOKL-DBBZSVRUSA-N 1 2 353.510 2.907 20 30 FFEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000268475891 509956175 /nfs/dbraw/zinc/95/61/75/509956175.db2.gz NEILERWEDDEODW-RDJZCZTQSA-N 1 2 366.469 2.628 20 30 FFEDLO Cc1nnc([C@H]2CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000268475891 509956179 /nfs/dbraw/zinc/95/61/79/509956179.db2.gz NEILERWEDDEODW-RDJZCZTQSA-N 1 2 366.469 2.628 20 30 FFEDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000268475891 509956185 /nfs/dbraw/zinc/95/61/85/509956185.db2.gz NEILERWEDDEODW-RDJZCZTQSA-N 1 2 366.469 2.628 20 30 FFEDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000268475891 509956189 /nfs/dbraw/zinc/95/61/89/509956189.db2.gz NEILERWEDDEODW-RDJZCZTQSA-N 1 2 366.469 2.628 20 30 FFEDLO Cc1nc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n[nH]1 ZINC000268475891 509956196 /nfs/dbraw/zinc/95/61/96/509956196.db2.gz NEILERWEDDEODW-RDJZCZTQSA-N 1 2 366.469 2.628 20 30 FFEDLO Cc1nc([C@H]2CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n[nH]1 ZINC000268475891 509956201 /nfs/dbraw/zinc/95/62/01/509956201.db2.gz NEILERWEDDEODW-RDJZCZTQSA-N 1 2 366.469 2.628 20 30 FFEDLO Cc1noc([C@H]2CCC[N@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)n1 ZINC000177262770 509966743 /nfs/dbraw/zinc/96/67/43/509966743.db2.gz AOWOYBQPHZAZSR-ZDUSSCGKSA-N 1 2 359.455 2.746 20 30 FFEDLO Cc1noc([C@H]2CCC[N@@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)n1 ZINC000177262770 509966746 /nfs/dbraw/zinc/96/67/46/509966746.db2.gz AOWOYBQPHZAZSR-ZDUSSCGKSA-N 1 2 359.455 2.746 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000177374308 510020704 /nfs/dbraw/zinc/02/07/04/510020704.db2.gz DKSOOTVSIUKHCI-CYBMUJFWSA-N 1 2 363.483 2.839 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000177374308 510020711 /nfs/dbraw/zinc/02/07/11/510020711.db2.gz DKSOOTVSIUKHCI-CYBMUJFWSA-N 1 2 363.483 2.839 20 30 FFEDLO CCCCc1noc(CO[NH+]=C(N)c2cc(Cl)c(OC)c(OC)c2)n1 ZINC000265549695 510110069 /nfs/dbraw/zinc/11/00/69/510110069.db2.gz YJRMIYMMXKIKKV-UHFFFAOYSA-N 1 2 368.821 2.920 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245789457 510144715 /nfs/dbraw/zinc/14/47/15/510144715.db2.gz WXRWLMHVGSYVTK-CZUORRHYSA-N 1 2 364.453 2.760 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245789457 510144724 /nfs/dbraw/zinc/14/47/24/510144724.db2.gz WXRWLMHVGSYVTK-CZUORRHYSA-N 1 2 364.453 2.760 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245789457 510144732 /nfs/dbraw/zinc/14/47/32/510144732.db2.gz WXRWLMHVGSYVTK-CZUORRHYSA-N 1 2 364.453 2.760 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245789457 510144737 /nfs/dbraw/zinc/14/47/37/510144737.db2.gz WXRWLMHVGSYVTK-CZUORRHYSA-N 1 2 364.453 2.760 20 30 FFEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000177641545 510173092 /nfs/dbraw/zinc/17/30/92/510173092.db2.gz NRLRUPNKHDSRJB-INIZCTEOSA-N 1 2 367.424 2.982 20 30 FFEDLO N#Cc1ccc(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(F)c1 ZINC000171483929 510188250 /nfs/dbraw/zinc/18/82/50/510188250.db2.gz FPVXQDBBVFGVMZ-UHFFFAOYSA-N 1 2 363.396 2.942 20 30 FFEDLO C=C(C)COCCNC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000177795937 510257271 /nfs/dbraw/zinc/25/72/71/510257271.db2.gz DFTXAJDEPHAPFA-UHFFFAOYSA-N 1 2 353.466 2.935 20 30 FFEDLO C=C(C)COCCNC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000177795937 510257279 /nfs/dbraw/zinc/25/72/79/510257279.db2.gz DFTXAJDEPHAPFA-UHFFFAOYSA-N 1 2 353.466 2.935 20 30 FFEDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000171654892 510286722 /nfs/dbraw/zinc/28/67/22/510286722.db2.gz YXAFKDFDYOASMU-INIZCTEOSA-N 1 2 369.469 2.586 20 30 FFEDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000171654892 510286730 /nfs/dbraw/zinc/28/67/30/510286730.db2.gz YXAFKDFDYOASMU-INIZCTEOSA-N 1 2 369.469 2.586 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181273423 510332227 /nfs/dbraw/zinc/33/22/27/510332227.db2.gz JFEBNKVLQSYLIX-YPMHNXCESA-N 1 2 350.406 2.506 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181273423 510332230 /nfs/dbraw/zinc/33/22/30/510332230.db2.gz JFEBNKVLQSYLIX-YPMHNXCESA-N 1 2 350.406 2.506 20 30 FFEDLO CCCOc1cc(CN(CCC#N)CC[NH+]2CCOCC2)ccc1OC ZINC000269353868 510356696 /nfs/dbraw/zinc/35/66/96/510356696.db2.gz LPOMPICVRRIXKT-UHFFFAOYSA-N 1 2 361.486 2.532 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246285076 510406386 /nfs/dbraw/zinc/40/63/86/510406386.db2.gz BCNZYWOZZFUTIW-XLIONFOSSA-N 1 2 355.482 2.965 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246285076 510406393 /nfs/dbraw/zinc/40/63/93/510406393.db2.gz BCNZYWOZZFUTIW-XLIONFOSSA-N 1 2 355.482 2.965 20 30 FFEDLO CCCCNC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000178154963 510461741 /nfs/dbraw/zinc/46/17/41/510461741.db2.gz DOGVMNJHJZMXEB-OAHLLOKOSA-N 1 2 370.453 2.602 20 30 FFEDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCN1S(C)(=O)=O ZINC000181599753 510493385 /nfs/dbraw/zinc/49/33/85/510493385.db2.gz CMGMVYUINUQVBQ-INIZCTEOSA-N 1 2 369.490 2.691 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCN1S(C)(=O)=O ZINC000181599753 510493391 /nfs/dbraw/zinc/49/33/91/510493391.db2.gz CMGMVYUINUQVBQ-INIZCTEOSA-N 1 2 369.490 2.691 20 30 FFEDLO N#CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccn1 ZINC000181733911 510566051 /nfs/dbraw/zinc/56/60/51/510566051.db2.gz VBHPVGZSBUHRSY-UHFFFAOYSA-N 1 2 371.372 2.873 20 30 FFEDLO N#CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccn1 ZINC000181733911 510566057 /nfs/dbraw/zinc/56/60/57/510566057.db2.gz VBHPVGZSBUHRSY-UHFFFAOYSA-N 1 2 371.372 2.873 20 30 FFEDLO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1nccs1 ZINC000185102434 510685299 /nfs/dbraw/zinc/68/52/99/510685299.db2.gz FXRSMZIMFVLTQI-OAHLLOKOSA-N 1 2 366.450 2.880 20 30 FFEDLO COC[C@H](Cc1ccccc1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000191507058 510694773 /nfs/dbraw/zinc/69/47/73/510694773.db2.gz SXBQXSUAXDDQBZ-IBGZPJMESA-N 1 2 372.490 2.521 20 30 FFEDLO COC[C@H](Cc1ccccc1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000191507058 510694780 /nfs/dbraw/zinc/69/47/80/510694780.db2.gz SXBQXSUAXDDQBZ-IBGZPJMESA-N 1 2 372.490 2.521 20 30 FFEDLO CCSCC[C@@H](C)[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000266628780 510697780 /nfs/dbraw/zinc/69/77/80/510697780.db2.gz OUBCEHWMRVBGOO-HIFRSBDPSA-N 1 2 372.494 2.975 20 30 FFEDLO CCSCC[C@@H](C)[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000266628780 510697789 /nfs/dbraw/zinc/69/77/89/510697789.db2.gz OUBCEHWMRVBGOO-HIFRSBDPSA-N 1 2 372.494 2.975 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](CO)O1 ZINC000191525623 510704676 /nfs/dbraw/zinc/70/46/76/510704676.db2.gz RFVPGTPJMKQLNH-IIBYNOLFSA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](CO)O1 ZINC000191525623 510704682 /nfs/dbraw/zinc/70/46/82/510704682.db2.gz RFVPGTPJMKQLNH-IIBYNOLFSA-N 1 2 352.434 2.719 20 30 FFEDLO CN(CCCn1cc[nH+]c1)C(=O)NCCSCc1ccccc1C#N ZINC000178659550 510707905 /nfs/dbraw/zinc/70/79/05/510707905.db2.gz YQRWOZAIYKMFMK-UHFFFAOYSA-N 1 2 357.483 2.720 20 30 FFEDLO Cc1cccc(C)c1C[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000172520747 510767984 /nfs/dbraw/zinc/76/79/84/510767984.db2.gz KMKYMWNROYTQEX-UHFFFAOYSA-N 1 2 369.490 2.682 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000185244142 510768070 /nfs/dbraw/zinc/76/80/70/510768070.db2.gz ZSURAJNOVWBRJP-AVRWGWEMSA-N 1 2 365.539 2.778 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000185244142 510768076 /nfs/dbraw/zinc/76/80/76/510768076.db2.gz ZSURAJNOVWBRJP-AVRWGWEMSA-N 1 2 365.539 2.778 20 30 FFEDLO CC(C)CN1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1=O ZINC000188583099 510835495 /nfs/dbraw/zinc/83/54/95/510835495.db2.gz YDVPFVKENUSTGD-UHFFFAOYSA-N 1 2 365.481 2.764 20 30 FFEDLO CC(C)CN1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1=O ZINC000188583099 510835499 /nfs/dbraw/zinc/83/54/99/510835499.db2.gz YDVPFVKENUSTGD-UHFFFAOYSA-N 1 2 365.481 2.764 20 30 FFEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000247646966 510867652 /nfs/dbraw/zinc/86/76/52/510867652.db2.gz OXZBLUFTFMNJIU-SWLSCSKDSA-N 1 2 364.858 2.680 20 30 FFEDLO COc1ccc2oc([C@H](C)NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c(C)c2c1 ZINC000329919268 510877228 /nfs/dbraw/zinc/87/72/28/510877228.db2.gz RNYOHWKWNMQTHW-XCRHUMRWSA-N 1 2 373.453 2.740 20 30 FFEDLO COc1ccc2oc([C@H](C)NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)c(C)c2c1 ZINC000329919268 510877234 /nfs/dbraw/zinc/87/72/34/510877234.db2.gz RNYOHWKWNMQTHW-XCRHUMRWSA-N 1 2 373.453 2.740 20 30 FFEDLO CCN1CCN(CC(=O)N[C@@H]2CCOc3ccccc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000329930067 510880358 /nfs/dbraw/zinc/88/03/58/510880358.db2.gz ZHPCBUGXNBYADA-SJORKVTESA-N 1 2 369.469 2.569 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCCO3)[C@@H]1c1ccc(F)c(F)c1 ZINC000329932846 510880973 /nfs/dbraw/zinc/88/09/73/510880973.db2.gz BDGVBRNHHJSSGF-YOEHRIQHSA-N 1 2 362.380 2.694 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCCO3)[C@@H]1c1ccc(F)c(F)c1 ZINC000329932846 510880978 /nfs/dbraw/zinc/88/09/78/510880978.db2.gz BDGVBRNHHJSSGF-YOEHRIQHSA-N 1 2 362.380 2.694 20 30 FFEDLO COCC[N@H+](Cc1nc(-c2cc(C)ccn2)no1)Cc1ccc(C#N)cc1 ZINC000297274134 510882439 /nfs/dbraw/zinc/88/24/39/510882439.db2.gz WZLBGODHYMFHLE-UHFFFAOYSA-N 1 2 363.421 2.960 20 30 FFEDLO COCC[N@@H+](Cc1nc(-c2cc(C)ccn2)no1)Cc1ccc(C#N)cc1 ZINC000297274134 510882444 /nfs/dbraw/zinc/88/24/44/510882444.db2.gz WZLBGODHYMFHLE-UHFFFAOYSA-N 1 2 363.421 2.960 20 30 FFEDLO C[C@@H]1CCC[C@@H](CNC(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)C1 ZINC000329958142 510887762 /nfs/dbraw/zinc/88/77/62/510887762.db2.gz QMWALQWBIOALRA-NCOADZHNSA-N 1 2 365.497 2.662 20 30 FFEDLO Cc1cccc([C@H](C)CNC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000329967148 510887981 /nfs/dbraw/zinc/88/79/81/510887981.db2.gz SIPKVHQDBDNOOC-SJLPKXTDSA-N 1 2 355.486 2.735 20 30 FFEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H]2CCCSC2)on1 ZINC000329968633 510890278 /nfs/dbraw/zinc/89/02/78/510890278.db2.gz WUDOGVNZKSOCET-ZNMIVQPWSA-N 1 2 370.494 2.637 20 30 FFEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H]2CCCSC2)on1 ZINC000329968633 510890279 /nfs/dbraw/zinc/89/02/79/510890279.db2.gz WUDOGVNZKSOCET-ZNMIVQPWSA-N 1 2 370.494 2.637 20 30 FFEDLO CCN1CCN(C(=O)N[C@H](C)[C@@H]2COc3ccccc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329997608 510897121 /nfs/dbraw/zinc/89/71/21/510897121.db2.gz QVBOBSZRJCIFSL-HYVNUMGLSA-N 1 2 369.469 2.567 20 30 FFEDLO COc1cc(C(N)=[NH+]OCc2ncnn2C(C)(C)C)cc(Cl)c1OC ZINC000282247877 510901742 /nfs/dbraw/zinc/90/17/42/510901742.db2.gz MOPRHIYPNVAGMY-UHFFFAOYSA-N 1 2 367.837 2.541 20 30 FFEDLO O=C(C[N@@H+]1CCO[C@H](C2CC2)C1)NCC1(c2ccccc2)CCOCC1 ZINC000330111069 510918310 /nfs/dbraw/zinc/91/83/10/510918310.db2.gz AURSXUSRSVPKAD-IBGZPJMESA-N 1 2 358.482 2.802 20 30 FFEDLO O=C(C[N@H+]1CCO[C@H](C2CC2)C1)NCC1(c2ccccc2)CCOCC1 ZINC000330111069 510918316 /nfs/dbraw/zinc/91/83/16/510918316.db2.gz AURSXUSRSVPKAD-IBGZPJMESA-N 1 2 358.482 2.802 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)NC[C@@H]2CCCCC(F)(F)C2)CCN1C ZINC000330199345 510935060 /nfs/dbraw/zinc/93/50/60/510935060.db2.gz VHUACBQXHGJOBE-CABCVRRESA-N 1 2 369.460 2.838 20 30 FFEDLO C[C@H](c1cccc(NC(=O)Nc2ccn(CCC#N)n2)c1)[NH+]1CCOCC1 ZINC000276400515 510937459 /nfs/dbraw/zinc/93/74/59/510937459.db2.gz ULRBCNRUAJLZRN-OAHLLOKOSA-N 1 2 368.441 2.834 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000330241131 510945750 /nfs/dbraw/zinc/94/57/50/510945750.db2.gz IVXAGWJFECXFJH-NEPJUHHUSA-N 1 2 360.849 2.794 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000330241131 510945754 /nfs/dbraw/zinc/94/57/54/510945754.db2.gz IVXAGWJFECXFJH-NEPJUHHUSA-N 1 2 360.849 2.794 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cc3n(n2)CCCO3)C[C@H](C)O1 ZINC000330312563 510962326 /nfs/dbraw/zinc/96/23/26/510962326.db2.gz WOBOXHMLOMKXQV-GASCZTMLSA-N 1 2 370.453 2.911 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cc3n(n2)CCCO3)C[C@H](C)O1 ZINC000330312563 510962330 /nfs/dbraw/zinc/96/23/30/510962330.db2.gz WOBOXHMLOMKXQV-GASCZTMLSA-N 1 2 370.453 2.911 20 30 FFEDLO C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)c1ccc2c(c1)OCO2 ZINC000330336084 510968551 /nfs/dbraw/zinc/96/85/51/510968551.db2.gz SCAAXYRBXDPPSQ-DXCKQFNASA-N 1 2 372.425 2.634 20 30 FFEDLO CCN1CCN(C(=O)Nc2ccc3c(c2)C(=O)CCC3)C[C@H]1c1[nH]cc[nH+]1 ZINC000330349870 510971510 /nfs/dbraw/zinc/97/15/10/510971510.db2.gz KLQRFQSGQFFBAB-KRWDZBQOSA-N 1 2 367.453 2.853 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)Nc2ncc(C(C)(C)C)s2)CCN1C ZINC000330357841 510972415 /nfs/dbraw/zinc/97/24/15/510972415.db2.gz UAFAOBUQOQSCJM-LBPRGKRZSA-N 1 2 362.503 2.708 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)C(=O)CCC3)CCO1 ZINC000330359457 510973354 /nfs/dbraw/zinc/97/33/54/510973354.db2.gz WAZCIXAXKNSZLC-BEFAXECRSA-N 1 2 368.437 2.995 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)OC(C)(C)O3)CCO1 ZINC000330355109 510973439 /nfs/dbraw/zinc/97/34/39/510973439.db2.gz QFXNNSKABKJRBV-BBRMVZONSA-N 1 2 372.425 2.983 20 30 FFEDLO Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)on1 ZINC000285611547 510977348 /nfs/dbraw/zinc/97/73/48/510977348.db2.gz XKQIORUALZTTID-ZDUSSCGKSA-N 1 2 372.400 2.864 20 30 FFEDLO COC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC(C)(C)O1 ZINC000330511456 510988391 /nfs/dbraw/zinc/98/83/91/510988391.db2.gz BXOJETMCWMTOFM-WFASDCNBSA-N 1 2 365.861 2.664 20 30 FFEDLO COC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC(C)(C)O1 ZINC000330511456 510988397 /nfs/dbraw/zinc/98/83/97/510988397.db2.gz BXOJETMCWMTOFM-WFASDCNBSA-N 1 2 365.861 2.664 20 30 FFEDLO COc1c(O)c(C[NH+]2CCN(c3ccccc3C#N)CC2)ccc1[N+](=O)[O-] ZINC000278289066 510988616 /nfs/dbraw/zinc/98/86/16/510988616.db2.gz UNTJDSSHWZRXLD-UHFFFAOYSA-N 1 2 368.393 2.503 20 30 FFEDLO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000330553664 510998905 /nfs/dbraw/zinc/99/89/05/510998905.db2.gz CWKZTFLBNIANPK-ZDUSSCGKSA-N 1 2 350.419 2.549 20 30 FFEDLO C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000330553664 510998908 /nfs/dbraw/zinc/99/89/08/510998908.db2.gz CWKZTFLBNIANPK-ZDUSSCGKSA-N 1 2 350.419 2.549 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1C ZINC000286532375 511027725 /nfs/dbraw/zinc/02/77/25/511027725.db2.gz NUOXUBZHDDLBLA-ZBFHGGJFSA-N 1 2 358.404 2.966 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1C ZINC000286532375 511027729 /nfs/dbraw/zinc/02/77/29/511027729.db2.gz NUOXUBZHDDLBLA-ZBFHGGJFSA-N 1 2 358.404 2.966 20 30 FFEDLO N#C[C@@]1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC12CCCC2 ZINC000294325531 511028270 /nfs/dbraw/zinc/02/82/70/511028270.db2.gz HCKUESNNPSPCDJ-WIYYLYMNSA-N 1 2 353.466 2.650 20 30 FFEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000330945266 511031253 /nfs/dbraw/zinc/03/12/53/511031253.db2.gz JVGDQKGIEANWSH-GXSJLCMTSA-N 1 2 359.257 2.528 20 30 FFEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000330945266 511031258 /nfs/dbraw/zinc/03/12/58/511031258.db2.gz JVGDQKGIEANWSH-GXSJLCMTSA-N 1 2 359.257 2.528 20 30 FFEDLO CCOC(=O)[C@@]1(COC)CCCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000331331095 511061503 /nfs/dbraw/zinc/06/15/03/511061503.db2.gz OPBCOFHLKNZDAU-IBGZPJMESA-N 1 2 363.458 2.844 20 30 FFEDLO N#Cc1ccc(-n2nccc2NC(=O)C2CC[NH+](CC(F)F)CC2)cc1 ZINC000297910762 511107771 /nfs/dbraw/zinc/10/77/71/511107771.db2.gz YVOFLGBHMIOZPK-UHFFFAOYSA-N 1 2 359.380 2.660 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CCc1cnccn1 ZINC000271354099 511174369 /nfs/dbraw/zinc/17/43/69/511174369.db2.gz OWIVHDJQXFPHMV-HNNXBMFYSA-N 1 2 369.494 2.984 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CCc1cnccn1 ZINC000271354099 511174371 /nfs/dbraw/zinc/17/43/71/511174371.db2.gz OWIVHDJQXFPHMV-HNNXBMFYSA-N 1 2 369.494 2.984 20 30 FFEDLO CC(C)[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1[nH]cc[nH+]1 ZINC000282991452 511190825 /nfs/dbraw/zinc/19/08/25/511190825.db2.gz LDWKEPAEICQIHT-IBGZPJMESA-N 1 2 367.453 2.950 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000298442531 511286068 /nfs/dbraw/zinc/28/60/68/511286068.db2.gz DASFGPVSBQDBBE-GOSISDBHSA-N 1 2 369.490 2.917 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000298442531 511286072 /nfs/dbraw/zinc/28/60/72/511286072.db2.gz DASFGPVSBQDBBE-GOSISDBHSA-N 1 2 369.490 2.917 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](c3ccncc3)C2)C1=O ZINC000298473123 511295887 /nfs/dbraw/zinc/29/58/87/511295887.db2.gz ITMLBDPVRBROAN-IRXDYDNUSA-N 1 2 352.463 3.000 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](c3ccncc3)C2)C1=O ZINC000298473123 511295894 /nfs/dbraw/zinc/29/58/94/511295894.db2.gz ITMLBDPVRBROAN-IRXDYDNUSA-N 1 2 352.463 3.000 20 30 FFEDLO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000295162254 511303829 /nfs/dbraw/zinc/30/38/29/511303829.db2.gz NJNHBEPQVCXSQF-UHFFFAOYSA-N 1 2 361.367 2.700 20 30 FFEDLO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000295162254 511303833 /nfs/dbraw/zinc/30/38/33/511303833.db2.gz NJNHBEPQVCXSQF-UHFFFAOYSA-N 1 2 361.367 2.700 20 30 FFEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000295434903 511403896 /nfs/dbraw/zinc/40/38/96/511403896.db2.gz OYKWOXFXOQSPQB-RISCZKNCSA-N 1 2 368.275 2.744 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)nc1 ZINC000292096149 511462663 /nfs/dbraw/zinc/46/26/63/511462663.db2.gz FXVPQHFRXPKZBD-AWEZNQCLSA-N 1 2 365.349 2.656 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)nc1 ZINC000292096149 511462668 /nfs/dbraw/zinc/46/26/68/511462668.db2.gz FXVPQHFRXPKZBD-AWEZNQCLSA-N 1 2 365.349 2.656 20 30 FFEDLO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292127063 511475932 /nfs/dbraw/zinc/47/59/32/511475932.db2.gz IJODCXWEAPSVCV-QGZVFWFLSA-N 1 2 350.422 2.607 20 30 FFEDLO CCc1ccccc1NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292127063 511475938 /nfs/dbraw/zinc/47/59/38/511475938.db2.gz IJODCXWEAPSVCV-QGZVFWFLSA-N 1 2 350.422 2.607 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2csc(Cc3cccc(F)c3)n2)CC1 ZINC000272502615 511496303 /nfs/dbraw/zinc/49/63/03/511496303.db2.gz DWAKDHUGIKECPH-UHFFFAOYSA-N 1 2 357.454 2.654 20 30 FFEDLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292288936 511539381 /nfs/dbraw/zinc/53/93/81/511539381.db2.gz UCIUVKSAZYVGNS-IUODEOHRSA-N 1 2 372.375 2.712 20 30 FFEDLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292288936 511539390 /nfs/dbraw/zinc/53/93/90/511539390.db2.gz UCIUVKSAZYVGNS-IUODEOHRSA-N 1 2 372.375 2.712 20 30 FFEDLO Cn1c(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)nc2ccccc2c1=O ZINC000363481473 511579540 /nfs/dbraw/zinc/57/95/40/511579540.db2.gz SKFZSFAGRWVFAZ-UHFFFAOYSA-N 1 2 374.444 2.849 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000280934373 511657753 /nfs/dbraw/zinc/65/77/53/511657753.db2.gz FRNVSIPYRQIQLS-APWZRJJASA-N 1 2 359.470 2.622 20 30 FFEDLO NC(=[NH+]OCc1nc(-c2cc(Br)cs2)no1)[C@H]1CCCO1 ZINC000284477200 511739694 /nfs/dbraw/zinc/73/96/94/511739694.db2.gz RNWSBBDNWRUAQH-MRVPVSSYSA-N 1 2 373.232 2.528 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(Cl)c2Cl)C1=O ZINC000281486595 511864800 /nfs/dbraw/zinc/86/48/00/511864800.db2.gz WYIWRQPDXFMPOJ-ZDUSSCGKSA-N 1 2 356.253 2.651 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(Cl)c2Cl)C1=O ZINC000281486595 511864807 /nfs/dbraw/zinc/86/48/07/511864807.db2.gz WYIWRQPDXFMPOJ-ZDUSSCGKSA-N 1 2 356.253 2.651 20 30 FFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000328599099 511889589 /nfs/dbraw/zinc/88/95/89/511889589.db2.gz BRZOWYQPACKUOQ-QGZVFWFLSA-N 1 2 373.501 2.547 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1)CCC2 ZINC000328643181 511904002 /nfs/dbraw/zinc/90/40/02/511904002.db2.gz FHIIMUHBZXALRD-LZLYRXPVSA-N 1 2 367.453 2.640 20 30 FFEDLO CC(C)(C)n1ncnc1C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000328671927 511913433 /nfs/dbraw/zinc/91/34/33/511913433.db2.gz HSZLFWZUAMGLNB-UHFFFAOYSA-N 1 2 362.522 2.834 20 30 FFEDLO O=C(NCc1ccccc1)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000328913129 511949077 /nfs/dbraw/zinc/94/90/77/511949077.db2.gz HVSVXLATGYXWEP-GOSISDBHSA-N 1 2 366.465 2.841 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)N[C@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000328920423 511950260 /nfs/dbraw/zinc/95/02/60/511950260.db2.gz BATLNSMEOPEOOB-BBWFWOEESA-N 1 2 372.469 2.548 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)N[C@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000328920423 511950261 /nfs/dbraw/zinc/95/02/61/511950261.db2.gz BATLNSMEOPEOOB-BBWFWOEESA-N 1 2 372.469 2.548 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1)CCC2 ZINC000328927249 511951511 /nfs/dbraw/zinc/95/15/11/511951511.db2.gz FQGOXGGENCXJDY-ARFHVFGLSA-N 1 2 359.474 2.814 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(=O)[C@@H](C)C3)n2)C1 ZINC000328941537 511953415 /nfs/dbraw/zinc/95/34/15/511953415.db2.gz ICZMBCBVXKPXTH-OLZOCXBDSA-N 1 2 350.488 2.831 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(=O)[C@@H](C)C3)n2)C1 ZINC000328941537 511953423 /nfs/dbraw/zinc/95/34/23/511953423.db2.gz ICZMBCBVXKPXTH-OLZOCXBDSA-N 1 2 350.488 2.831 20 30 FFEDLO C[C@@H]1C[C@@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCC1=O ZINC000328945704 511955034 /nfs/dbraw/zinc/95/50/34/511955034.db2.gz VFDXMCKGQVQPRZ-CVEARBPZSA-N 1 2 361.461 2.910 20 30 FFEDLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)NCc1ccc(Cl)s1 ZINC000328979019 511960572 /nfs/dbraw/zinc/96/05/72/511960572.db2.gz QYEHSUWJAYDBET-BFHYXJOUSA-N 1 2 358.891 2.720 20 30 FFEDLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)NCc1ccc(Cl)s1 ZINC000328979019 511960582 /nfs/dbraw/zinc/96/05/82/511960582.db2.gz QYEHSUWJAYDBET-BFHYXJOUSA-N 1 2 358.891 2.720 20 30 FFEDLO Cc1noc([C@H]([NH2+]CC(=O)N[C@@H]2CCCC[C@H]2C)C2CCOCC2)n1 ZINC000328984310 511961375 /nfs/dbraw/zinc/96/13/75/511961375.db2.gz STPQSEIVHPZGHT-SRCQZFHVSA-N 1 2 350.463 2.971 20 30 FFEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000328999580 511965135 /nfs/dbraw/zinc/96/51/35/511965135.db2.gz XCVQQFUDDJSHIS-AKHDSKFASA-N 1 2 374.481 2.983 20 30 FFEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000328999580 511965138 /nfs/dbraw/zinc/96/51/38/511965138.db2.gz XCVQQFUDDJSHIS-AKHDSKFASA-N 1 2 374.481 2.983 20 30 FFEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC000329002676 511965559 /nfs/dbraw/zinc/96/55/59/511965559.db2.gz XVZDKGRWPYOYDK-DOPJRALCSA-N 1 2 359.445 2.581 20 30 FFEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CCN3C(=O)CC[C@H]3C2)c(C)c1 ZINC000329014262 511967439 /nfs/dbraw/zinc/96/74/39/511967439.db2.gz FSCOFZUCVOQIGR-GJZGRUSLSA-N 1 2 358.442 2.501 20 30 FFEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CCN3C(=O)CC[C@H]3C2)c(C)c1 ZINC000329014262 511967444 /nfs/dbraw/zinc/96/74/44/511967444.db2.gz FSCOFZUCVOQIGR-GJZGRUSLSA-N 1 2 358.442 2.501 20 30 FFEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C2)n1 ZINC000329019695 511968186 /nfs/dbraw/zinc/96/81/86/511968186.db2.gz HKJWPVOAOIEKMX-CYBMUJFWSA-N 1 2 358.398 2.617 20 30 FFEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C2)n1 ZINC000329019695 511968193 /nfs/dbraw/zinc/96/81/93/511968193.db2.gz HKJWPVOAOIEKMX-CYBMUJFWSA-N 1 2 358.398 2.617 20 30 FFEDLO C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CCc4[nH]nnc4C3)c2)C[C@@H](C)O1 ZINC000329019049 511968677 /nfs/dbraw/zinc/96/86/77/511968677.db2.gz LDISIJXRWUDGJV-IIAWOOMASA-N 1 2 369.469 2.807 20 30 FFEDLO C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CCc4nn[nH]c4C3)c2)C[C@@H](C)O1 ZINC000329019049 511968679 /nfs/dbraw/zinc/96/86/79/511968679.db2.gz LDISIJXRWUDGJV-IIAWOOMASA-N 1 2 369.469 2.807 20 30 FFEDLO CC1(C)CC[C@H](NC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000329086361 511980215 /nfs/dbraw/zinc/98/02/15/511980215.db2.gz UTYKCWFXINHZCJ-INIZCTEOSA-N 1 2 355.486 2.945 20 30 FFEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000329136068 511991199 /nfs/dbraw/zinc/99/11/99/511991199.db2.gz CORJHBKAUBZXOX-ADLMAVQZSA-N 1 2 354.435 2.853 20 30 FFEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000329136068 511991205 /nfs/dbraw/zinc/99/12/05/511991205.db2.gz CORJHBKAUBZXOX-ADLMAVQZSA-N 1 2 354.435 2.853 20 30 FFEDLO Cc1cn2cc(NC(=O)N[C@@H]3CC(=O)N(C4CCCCC4)C3)ccc2[nH+]1 ZINC000329159831 511996231 /nfs/dbraw/zinc/99/62/31/511996231.db2.gz XSYZAGGJRCKCRM-OAHLLOKOSA-N 1 2 355.442 2.711 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)Nc1cccc(C)n1 ZINC000329207654 512005109 /nfs/dbraw/zinc/00/51/09/512005109.db2.gz YMSOPXBQOODGBU-GJZGRUSLSA-N 1 2 361.421 2.933 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)Nc1cccc(C)n1 ZINC000329207654 512005112 /nfs/dbraw/zinc/00/51/12/512005112.db2.gz YMSOPXBQOODGBU-GJZGRUSLSA-N 1 2 361.421 2.933 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](CC)CC(=O)Nc2ccccc2C(F)(F)F)C1=O ZINC000281925866 512013887 /nfs/dbraw/zinc/01/38/87/512013887.db2.gz HRCCBRQFVPLGNU-HNNXBMFYSA-N 1 2 369.387 2.753 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](CC)CC(=O)Nc2ccccc2C(F)(F)F)C1=O ZINC000281925866 512013893 /nfs/dbraw/zinc/01/38/93/512013893.db2.gz HRCCBRQFVPLGNU-HNNXBMFYSA-N 1 2 369.387 2.753 20 30 FFEDLO O=C(Nc1ccc(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cc1)NC1CC1 ZINC000329250506 512014060 /nfs/dbraw/zinc/01/40/60/512014060.db2.gz UKWVEPNJHNHNSO-SFHVURJKSA-N 1 2 372.469 2.757 20 30 FFEDLO O=C(Nc1ccc(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cc1)NC1CC1 ZINC000329250506 512014065 /nfs/dbraw/zinc/01/40/65/512014065.db2.gz UKWVEPNJHNHNSO-SFHVURJKSA-N 1 2 372.469 2.757 20 30 FFEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(Cl)c(OC(F)F)c3)C[C@@H]21 ZINC000329316594 512026679 /nfs/dbraw/zinc/02/66/79/512026679.db2.gz HPCCVOIVERQKKY-AAEUAGOBSA-N 1 2 361.776 2.502 20 30 FFEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(Cl)c(OC(F)F)c3)C[C@@H]21 ZINC000329316594 512026683 /nfs/dbraw/zinc/02/66/83/512026683.db2.gz HPCCVOIVERQKKY-AAEUAGOBSA-N 1 2 361.776 2.502 20 30 FFEDLO Cc1cc(NC(=O)[C@@H]2CCS(=O)(=O)C2)c[nH+]c1N1CCCC[C@H]1C ZINC000329316333 512026812 /nfs/dbraw/zinc/02/68/12/512026812.db2.gz CWPYIPYNAALCGK-ZIAGYGMSSA-N 1 2 351.472 2.792 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)Nc1sccc1C#N ZINC000293628334 512032089 /nfs/dbraw/zinc/03/20/89/512032089.db2.gz GHXNLSJJLFSGEI-ZDUSSCGKSA-N 1 2 357.439 2.528 20 30 FFEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1C[C@@H](C)OC(C)(C)C1)C1CCOCC1 ZINC000329445062 512048438 /nfs/dbraw/zinc/04/84/38/512048438.db2.gz KSSZPKJINCEUQR-GDBMZVCRSA-N 1 2 364.490 2.784 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCO[C@@H](C(C)(C)C)C1)C1CCOCC1 ZINC000329474981 512054325 /nfs/dbraw/zinc/05/43/25/512054325.db2.gz NOYXAWVNLXBNKN-HZPDHXFCSA-N 1 2 364.490 2.549 20 30 FFEDLO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCCCS1(=O)=O ZINC000329589779 512073597 /nfs/dbraw/zinc/07/35/97/512073597.db2.gz NIJXJYSPAXKXTB-UKRRQHHQSA-N 1 2 356.513 2.809 20 30 FFEDLO C[C@@H]1C[C@H](C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)CC(=O)N1 ZINC000329673096 512084609 /nfs/dbraw/zinc/08/46/09/512084609.db2.gz NVRUMPJGWCWBQL-CABCVRRESA-N 1 2 372.469 2.807 20 30 FFEDLO C[C@@H]1C[C@H](C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)CC(=O)N1 ZINC000329673096 512084614 /nfs/dbraw/zinc/08/46/14/512084614.db2.gz NVRUMPJGWCWBQL-CABCVRRESA-N 1 2 372.469 2.807 20 30 FFEDLO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000329668788 512084818 /nfs/dbraw/zinc/08/48/18/512084818.db2.gz SDPPROQRMIZJMU-FPOVZHCZSA-N 1 2 372.513 2.921 20 30 FFEDLO C[C@H](NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)[C@H]1CCOC1 ZINC000329775445 512096574 /nfs/dbraw/zinc/09/65/74/512096574.db2.gz NAKFYVQUSGLCEM-AJNGGQMLSA-N 1 2 355.479 2.589 20 30 FFEDLO C[C@H](NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)[C@H]1CCOC1 ZINC000329775445 512096576 /nfs/dbraw/zinc/09/65/76/512096576.db2.gz NAKFYVQUSGLCEM-AJNGGQMLSA-N 1 2 355.479 2.589 20 30 FFEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329809648 512099774 /nfs/dbraw/zinc/09/97/74/512099774.db2.gz QFMGPEFJZZPJIS-BHYGNILZSA-N 1 2 359.470 2.547 20 30 FFEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329809648 512099777 /nfs/dbraw/zinc/09/97/77/512099777.db2.gz QFMGPEFJZZPJIS-BHYGNILZSA-N 1 2 359.470 2.547 20 30 FFEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000329822748 512102183 /nfs/dbraw/zinc/10/21/83/512102183.db2.gz ZEJGIHVTZVMMOM-YQVWRLOYSA-N 1 2 367.559 2.667 20 30 FFEDLO Cc1[nH+]c2ccc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)cc2n1C ZINC000375692640 512458165 /nfs/dbraw/zinc/45/81/65/512458165.db2.gz PLSBUMTWOPPDKE-LJQANCHMSA-N 1 2 373.460 2.732 20 30 FFEDLO C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000369736260 512580732 /nfs/dbraw/zinc/58/07/32/512580732.db2.gz NARFCFNPKKKHKO-AWEZNQCLSA-N 1 2 356.401 2.983 20 30 FFEDLO C#CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000376342847 512776926 /nfs/dbraw/zinc/77/69/26/512776926.db2.gz CMTBBHDYKFUUPR-NVXWUHKLSA-N 1 2 374.428 2.572 20 30 FFEDLO C#CCCCS(=O)(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000376342847 512776929 /nfs/dbraw/zinc/77/69/29/512776929.db2.gz CMTBBHDYKFUUPR-NVXWUHKLSA-N 1 2 374.428 2.572 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000374730810 512975605 /nfs/dbraw/zinc/97/56/05/512975605.db2.gz BCWLLFSMRRKBAP-HNNXBMFYSA-N 1 2 351.435 2.855 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000374730810 512975609 /nfs/dbraw/zinc/97/56/09/512975609.db2.gz BCWLLFSMRRKBAP-HNNXBMFYSA-N 1 2 351.435 2.855 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c(C#N)c1C ZINC000374864113 513044936 /nfs/dbraw/zinc/04/49/36/513044936.db2.gz LXJHQRMULKCKNI-ZUOKHONESA-N 1 2 371.412 2.828 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c(C#N)c1C ZINC000374864113 513044937 /nfs/dbraw/zinc/04/49/37/513044937.db2.gz LXJHQRMULKCKNI-ZUOKHONESA-N 1 2 371.412 2.828 20 30 FFEDLO C=CCC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1)c1ccccc1 ZINC000412373555 513057063 /nfs/dbraw/zinc/05/70/63/513057063.db2.gz SCWRWEFGAUURCN-HKUYNNGSSA-N 1 2 358.482 2.738 20 30 FFEDLO C=CCC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1)c1ccccc1 ZINC000412373555 513057067 /nfs/dbraw/zinc/05/70/67/513057067.db2.gz SCWRWEFGAUURCN-HKUYNNGSSA-N 1 2 358.482 2.738 20 30 FFEDLO N#Cc1ccsc1C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000368699621 513066200 /nfs/dbraw/zinc/06/62/00/513066200.db2.gz GADDUWXLCJKWJC-UHFFFAOYSA-N 1 2 366.368 2.996 20 30 FFEDLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000370730446 513073823 /nfs/dbraw/zinc/07/38/23/513073823.db2.gz OCXFIMGADXJBLV-TZMCWYRMSA-N 1 2 372.375 2.712 20 30 FFEDLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000370730446 513073824 /nfs/dbraw/zinc/07/38/24/513073824.db2.gz OCXFIMGADXJBLV-TZMCWYRMSA-N 1 2 372.375 2.712 20 30 FFEDLO CC(C)c1nc(C2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)no1 ZINC000370776430 513095583 /nfs/dbraw/zinc/09/55/83/513095583.db2.gz XHCDCVZADIYXQJ-UHFFFAOYSA-N 1 2 359.474 2.715 20 30 FFEDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000368844527 513119723 /nfs/dbraw/zinc/11/97/23/513119723.db2.gz NQYAUEOEMIZPCS-KBXCAEBGSA-N 1 2 368.437 2.781 20 30 FFEDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000368844527 513119724 /nfs/dbraw/zinc/11/97/24/513119724.db2.gz NQYAUEOEMIZPCS-KBXCAEBGSA-N 1 2 368.437 2.781 20 30 FFEDLO CN(C)c1nc(N2CCN(c3ccccc3C#N)CC2)[nH+]c2ccccc21 ZINC000450299815 513130519 /nfs/dbraw/zinc/13/05/19/513130519.db2.gz PSGIPPGJPAYARQ-UHFFFAOYSA-N 1 2 358.449 2.894 20 30 FFEDLO C=CCCn1cc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)nn1 ZINC000424572916 513187361 /nfs/dbraw/zinc/18/73/61/513187361.db2.gz YUAZYVVLLMLFDA-UHFFFAOYSA-N 1 2 373.888 2.856 20 30 FFEDLO C=CCCn1cc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)nn1 ZINC000424572916 513187365 /nfs/dbraw/zinc/18/73/65/513187365.db2.gz YUAZYVVLLMLFDA-UHFFFAOYSA-N 1 2 373.888 2.856 20 30 FFEDLO CC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1[nH]cc[nH+]1 ZINC000450672095 513298892 /nfs/dbraw/zinc/29/88/92/513298892.db2.gz JSEIVZBVKSWWCH-WFASDCNBSA-N 1 2 371.828 2.555 20 30 FFEDLO CCCNC(=O)C1([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)CCCCC1 ZINC000440399946 513311658 /nfs/dbraw/zinc/31/16/58/513311658.db2.gz QOTWRBYIWUSTAH-UHFFFAOYSA-N 1 2 367.453 2.927 20 30 FFEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000429244141 513313613 /nfs/dbraw/zinc/31/36/13/513313613.db2.gz JKDSSBGVVFFBKE-MRXNPFEDSA-N 1 2 366.440 2.524 20 30 FFEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000429244141 513313618 /nfs/dbraw/zinc/31/36/18/513313618.db2.gz JKDSSBGVVFFBKE-MRXNPFEDSA-N 1 2 366.440 2.524 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000434673957 513391248 /nfs/dbraw/zinc/39/12/48/513391248.db2.gz GKPBQKFQPRUPSU-LJQANCHMSA-N 1 2 365.408 2.819 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000425109770 513415119 /nfs/dbraw/zinc/41/51/19/513415119.db2.gz MXIAOEXRDVEOPS-INIZCTEOSA-N 1 2 364.449 2.619 20 30 FFEDLO Cc1cc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c(C#N)c[nH+]1 ZINC000425209953 513454017 /nfs/dbraw/zinc/45/40/17/513454017.db2.gz STICOJQMLHKNSQ-UHFFFAOYSA-N 1 2 352.413 2.934 20 30 FFEDLO Cc1cc(NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c(C#N)c[nH+]1 ZINC000425214363 513457223 /nfs/dbraw/zinc/45/72/23/513457223.db2.gz JFJALEJTAYWJCU-HZPDHXFCSA-N 1 2 364.449 2.545 20 30 FFEDLO CCO[C@@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2sccc2C#N)n1 ZINC000441372435 513554245 /nfs/dbraw/zinc/55/42/45/513554245.db2.gz BWEFNAORHMVXSX-NSHDSACASA-N 1 2 363.443 2.561 20 30 FFEDLO CCO[C@@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2sccc2C#N)n1 ZINC000441372435 513554249 /nfs/dbraw/zinc/55/42/49/513554249.db2.gz BWEFNAORHMVXSX-NSHDSACASA-N 1 2 363.443 2.561 20 30 FFEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000430251618 513599372 /nfs/dbraw/zinc/59/93/72/513599372.db2.gz DDVGYJIXIFGXER-OAHLLOKOSA-N 1 2 355.398 2.504 20 30 FFEDLO CCOC(=O)[C@@H](CC)[N@H+](C1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447877307 513612349 /nfs/dbraw/zinc/61/23/49/513612349.db2.gz HEMUFZFFGSQLSU-MOPGFXCFSA-N 1 2 369.465 2.860 20 30 FFEDLO CCOC(=O)[C@@H](CC)[N@@H+](C1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447877307 513612355 /nfs/dbraw/zinc/61/23/55/513612355.db2.gz HEMUFZFFGSQLSU-MOPGFXCFSA-N 1 2 369.465 2.860 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451273009 513643660 /nfs/dbraw/zinc/64/36/60/513643660.db2.gz WHHQIUIGIQCAFA-YWMUFLPLSA-N 1 2 367.424 2.685 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451273009 513643666 /nfs/dbraw/zinc/64/36/66/513643666.db2.gz WHHQIUIGIQCAFA-YWMUFLPLSA-N 1 2 367.424 2.685 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451436517 513750924 /nfs/dbraw/zinc/75/09/24/513750924.db2.gz RZPJHUVFWKATIQ-SJKOYZFVSA-N 1 2 369.437 2.579 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451436517 513750932 /nfs/dbraw/zinc/75/09/32/513750932.db2.gz RZPJHUVFWKATIQ-SJKOYZFVSA-N 1 2 369.437 2.579 20 30 FFEDLO CO[C@](C)([C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000413684077 513763955 /nfs/dbraw/zinc/76/39/55/513763955.db2.gz HNRJMSPVGYPIAP-IIBYNOLFSA-N 1 2 370.497 2.589 20 30 FFEDLO CC(C)(CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OCC1CC1 ZINC000413711354 513777874 /nfs/dbraw/zinc/77/78/74/513777874.db2.gz IOAILLBLQQTSDF-UHFFFAOYSA-N 1 2 370.497 2.591 20 30 FFEDLO COc1cc(C#N)ccc1CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000436269687 513813307 /nfs/dbraw/zinc/81/33/07/513813307.db2.gz YPFDWQMBJLMFED-IRLDBZIGSA-N 1 2 363.461 2.652 20 30 FFEDLO COc1cc(C#N)ccc1CN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000436269687 513813315 /nfs/dbraw/zinc/81/33/15/513813315.db2.gz YPFDWQMBJLMFED-IRLDBZIGSA-N 1 2 363.461 2.652 20 30 FFEDLO N#Cc1cc(Br)ccc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000448671539 513838427 /nfs/dbraw/zinc/83/84/27/513838427.db2.gz SLDRDECNDRPOLW-UHFFFAOYSA-N 1 2 373.254 2.826 20 30 FFEDLO Cc1cccc(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1C#N ZINC000443138475 513884191 /nfs/dbraw/zinc/88/41/91/513884191.db2.gz VGTHRLCTJCFEAZ-UHFFFAOYSA-N 1 2 352.419 2.531 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(NC(=O)c2ccsc2)cc1 ZINC000414147505 513989366 /nfs/dbraw/zinc/98/93/66/513989366.db2.gz MKWHLHIMWIKWIQ-INIZCTEOSA-N 1 2 359.451 2.586 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(NC(=O)c2ccsc2)cc1 ZINC000414147505 513989375 /nfs/dbraw/zinc/98/93/75/513989375.db2.gz MKWHLHIMWIKWIQ-INIZCTEOSA-N 1 2 359.451 2.586 20 30 FFEDLO COc1cc2ccccc2cc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000448993066 514012734 /nfs/dbraw/zinc/01/27/34/514012734.db2.gz LYNSIFYLIPYJPB-UHFFFAOYSA-N 1 2 353.466 2.896 20 30 FFEDLO Cc1oc(NC(=O)C[NH+]2CCC(OCCOC(C)C)CC2)c(C#N)c1C ZINC000451957049 514093559 /nfs/dbraw/zinc/09/35/59/514093559.db2.gz OQWFRBAFPVBJND-UHFFFAOYSA-N 1 2 363.458 2.613 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CSCc3cscn3)CC2)cc1 ZINC000437225820 514119768 /nfs/dbraw/zinc/11/97/68/514119768.db2.gz FJIWBZYOSGONHH-UHFFFAOYSA-N 1 2 372.519 2.592 20 30 FFEDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000452010884 514134569 /nfs/dbraw/zinc/13/45/69/514134569.db2.gz KWYSMZHLAQHESO-AWEZNQCLSA-N 1 2 365.275 2.556 20 30 FFEDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000452010884 514134576 /nfs/dbraw/zinc/13/45/76/514134576.db2.gz KWYSMZHLAQHESO-AWEZNQCLSA-N 1 2 365.275 2.556 20 30 FFEDLO C[C@@H](O)[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000414563483 514182522 /nfs/dbraw/zinc/18/25/22/514182522.db2.gz BVYZBQGTJQFDJN-IERDGZPVSA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@@H](O)[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000414563483 514182529 /nfs/dbraw/zinc/18/25/29/514182529.db2.gz BVYZBQGTJQFDJN-IERDGZPVSA-N 1 2 352.434 2.719 20 30 FFEDLO C=CCOc1ccccc1C[NH+]1CCC(C(=O)OCC)([S@@](C)=O)CC1 ZINC000449410050 514200631 /nfs/dbraw/zinc/20/06/31/514200631.db2.gz TUUCHBLGVVWQBF-RUZDIDTESA-N 1 2 365.495 2.528 20 30 FFEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000437645903 514203267 /nfs/dbraw/zinc/20/32/67/514203267.db2.gz LTAJSEICGIHYAK-UYAOXDASSA-N 1 2 368.481 2.754 20 30 FFEDLO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000437887686 514260194 /nfs/dbraw/zinc/26/01/94/514260194.db2.gz IQFQOBSQOXXESM-HOCLYGCPSA-N 1 2 372.437 2.947 20 30 FFEDLO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000437887686 514260202 /nfs/dbraw/zinc/26/02/02/514260202.db2.gz IQFQOBSQOXXESM-HOCLYGCPSA-N 1 2 372.437 2.947 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000438070267 514299000 /nfs/dbraw/zinc/29/90/00/514299000.db2.gz HFURJIBQIHVJJT-MJGOQNOKSA-N 1 2 361.461 2.634 20 30 FFEDLO CNC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cc1 ZINC000444759534 514319976 /nfs/dbraw/zinc/31/99/76/514319976.db2.gz GGKALXGUBGDEFI-UHFFFAOYSA-N 1 2 368.868 2.893 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)o1 ZINC000444767440 514323375 /nfs/dbraw/zinc/32/33/75/514323375.db2.gz QEMZSEMVNPSMSW-UHFFFAOYSA-N 1 2 359.813 2.913 20 30 FFEDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000444778241 514329816 /nfs/dbraw/zinc/32/98/16/514329816.db2.gz VIIOJUYDNYKLEU-HXUWFJFHSA-N 1 2 363.502 2.869 20 30 FFEDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000444778241 514329821 /nfs/dbraw/zinc/32/98/21/514329821.db2.gz VIIOJUYDNYKLEU-HXUWFJFHSA-N 1 2 363.502 2.869 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000428040194 514383788 /nfs/dbraw/zinc/38/37/88/514383788.db2.gz VFABAEFOBUTKQT-ZDUSSCGKSA-N 1 2 355.829 2.521 20 30 FFEDLO CCN1CC[NH+]([C@H]2CCN(c3nc4c(cc3C#N)CCCC4(C)C)C2)CC1 ZINC000428133318 514405648 /nfs/dbraw/zinc/40/56/48/514405648.db2.gz XKDYTKWGIZXYGT-IBGZPJMESA-N 1 2 367.541 2.783 20 30 FFEDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000428440100 514474914 /nfs/dbraw/zinc/47/49/14/514474914.db2.gz ZDTODDYLOJYMCE-QGZVFWFLSA-N 1 2 359.470 2.820 20 30 FFEDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000428440100 514474919 /nfs/dbraw/zinc/47/49/19/514474919.db2.gz ZDTODDYLOJYMCE-QGZVFWFLSA-N 1 2 359.470 2.820 20 30 FFEDLO C=CCC1(C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)CCCCC1 ZINC000450088496 514493834 /nfs/dbraw/zinc/49/38/34/514493834.db2.gz QBLXMYXFHKBQAL-GOSISDBHSA-N 1 2 361.530 2.668 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000497723411 514611347 /nfs/dbraw/zinc/61/13/47/514611347.db2.gz SLTGGWRGKUVDIQ-INIZCTEOSA-N 1 2 360.417 2.887 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)[nH]1 ZINC000475341538 514626891 /nfs/dbraw/zinc/62/68/91/514626891.db2.gz GLZMBRKIWYOJRP-GOSISDBHSA-N 1 2 372.856 2.837 20 30 FFEDLO N#Cc1ccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)s1 ZINC000475432479 514658965 /nfs/dbraw/zinc/65/89/65/514658965.db2.gz RMEXPCREEGSNSK-CYBMUJFWSA-N 1 2 350.241 2.698 20 30 FFEDLO C=C(C)COCCNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000475464999 514674903 /nfs/dbraw/zinc/67/49/03/514674903.db2.gz ABJMUEOGZJHGFV-UHFFFAOYSA-N 1 2 355.394 2.521 20 30 FFEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000502540536 514687549 /nfs/dbraw/zinc/68/75/49/514687549.db2.gz MRDDUHWVPAWINN-NRFANRHFSA-N 1 2 371.481 2.592 20 30 FFEDLO COC(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)s1 ZINC000453590295 514707509 /nfs/dbraw/zinc/70/75/09/514707509.db2.gz XRKFNNPIUGOXGT-UHFFFAOYSA-N 1 2 371.462 2.737 20 30 FFEDLO CC(C)N1CC[C@H]([NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1=O ZINC000471013869 514716402 /nfs/dbraw/zinc/71/64/02/514716402.db2.gz YFWRWPMOCNCRAL-ROUUACIJSA-N 1 2 360.889 2.532 20 30 FFEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000471027109 514726164 /nfs/dbraw/zinc/72/61/64/514726164.db2.gz DERKEGMLOWURKI-GJZGRUSLSA-N 1 2 361.795 2.836 20 30 FFEDLO N#Cc1ccc(CNC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1 ZINC000498015413 514726299 /nfs/dbraw/zinc/72/62/99/514726299.db2.gz JVCJTDYTEYEWHU-UHFFFAOYSA-N 1 2 373.416 2.714 20 30 FFEDLO CCN1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@H]1c1ncc[nH]1 ZINC000471088909 514748775 /nfs/dbraw/zinc/74/87/75/514748775.db2.gz MAAVSNXAOJGKTH-HNNXBMFYSA-N 1 2 361.396 2.762 20 30 FFEDLO CCN1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@H]1c1ncc[nH]1 ZINC000471088909 514748784 /nfs/dbraw/zinc/74/87/84/514748784.db2.gz MAAVSNXAOJGKTH-HNNXBMFYSA-N 1 2 361.396 2.762 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000458389145 514757238 /nfs/dbraw/zinc/75/72/38/514757238.db2.gz ZFHYRQOKCFJSJM-HUUCEWRRSA-N 1 2 367.440 2.556 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000458389145 514757250 /nfs/dbraw/zinc/75/72/50/514757250.db2.gz ZFHYRQOKCFJSJM-HUUCEWRRSA-N 1 2 367.440 2.556 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(Oc2ccccn2)CC1 ZINC000471155241 514774090 /nfs/dbraw/zinc/77/40/90/514774090.db2.gz COLLHAXPHQIMLG-HNNXBMFYSA-N 1 2 350.422 2.824 20 30 FFEDLO N#Cc1c(C#N)c2c(nc1SCC[NH+]1CCOCC1)CCCCCC2 ZINC000479929635 514779447 /nfs/dbraw/zinc/77/94/47/514779447.db2.gz IMYOWNPPDJMAPW-UHFFFAOYSA-N 1 2 356.495 2.908 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)Nc3cccc(CC#N)c3)c[nH+]2)CCO1 ZINC000455914514 514830103 /nfs/dbraw/zinc/83/01/03/514830103.db2.gz GNKKBINXACLTGN-OAHLLOKOSA-N 1 2 365.437 2.694 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1ccc(F)cc1Br ZINC000485026680 514879658 /nfs/dbraw/zinc/87/96/58/514879658.db2.gz LUUZRTQEMBVSLF-LLVKDONJSA-N 1 2 356.239 2.781 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1ccc(F)cc1Br ZINC000485026680 514879666 /nfs/dbraw/zinc/87/96/66/514879666.db2.gz LUUZRTQEMBVSLF-LLVKDONJSA-N 1 2 356.239 2.781 20 30 FFEDLO CC(=O)c1ccc(C#N)c(N2CCC[C@@H]([N@H+](C)Cc3noc(C)n3)CC2)c1 ZINC000480254009 514898564 /nfs/dbraw/zinc/89/85/64/514898564.db2.gz WEJYOYOWWFGGMP-GOSISDBHSA-N 1 2 367.453 2.943 20 30 FFEDLO CC(=O)c1ccc(C#N)c(N2CCC[C@@H]([N@@H+](C)Cc3noc(C)n3)CC2)c1 ZINC000480254009 514898574 /nfs/dbraw/zinc/89/85/74/514898574.db2.gz WEJYOYOWWFGGMP-GOSISDBHSA-N 1 2 367.453 2.943 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)Nc1cc(C#N)ccc1C)CC2 ZINC000476218833 514952903 /nfs/dbraw/zinc/95/29/03/514952903.db2.gz FUCSBQYIXZEYRH-UHFFFAOYSA-N 1 2 365.433 2.881 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)Nc1cc(C#N)ccc1C)CC2 ZINC000476218833 514952916 /nfs/dbraw/zinc/95/29/16/514952916.db2.gz FUCSBQYIXZEYRH-UHFFFAOYSA-N 1 2 365.433 2.881 20 30 FFEDLO C=CCn1c([C@H](CC)c2ccccc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000509013125 514987296 /nfs/dbraw/zinc/98/72/96/514987296.db2.gz OJEKIDSSIREHBI-LJQANCHMSA-N 1 2 369.513 2.774 20 30 FFEDLO COc1cc(C#N)cc(OC[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000485753150 515171861 /nfs/dbraw/zinc/17/18/61/515171861.db2.gz LVZWSYQNFWJQIL-INIZCTEOSA-N 1 2 351.406 2.973 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](CC)CN1C(C)=O ZINC000472348523 515238801 /nfs/dbraw/zinc/23/88/01/515238801.db2.gz JCEPFCRNQVRYTC-QZTJIDSGSA-N 1 2 367.453 2.830 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](CC)CN1C(C)=O ZINC000472348523 515238810 /nfs/dbraw/zinc/23/88/10/515238810.db2.gz JCEPFCRNQVRYTC-QZTJIDSGSA-N 1 2 367.453 2.830 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000499336491 515290551 /nfs/dbraw/zinc/29/05/51/515290551.db2.gz YEJCUJQZSQFLEB-QZTJIDSGSA-N 1 2 361.873 2.518 20 30 FFEDLO Cn1c[nH+]c(CCNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1 ZINC000459181591 515381262 /nfs/dbraw/zinc/38/12/62/515381262.db2.gz PVQBPQXFDQBFOV-UHFFFAOYSA-N 1 2 367.331 2.597 20 30 FFEDLO Cc1cc(Br)cn2cc(CNC(=O)c3cc(C#N)ccn3)[nH+]c12 ZINC000504933413 515411777 /nfs/dbraw/zinc/41/17/77/515411777.db2.gz SBASTJXXMHOGMH-UHFFFAOYSA-N 1 2 370.210 2.602 20 30 FFEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(N)nc(Nc2ccccc2C)n1 ZINC000491381031 515420339 /nfs/dbraw/zinc/42/03/39/515420339.db2.gz NYHGYPQDUNTAEM-UHFFFAOYSA-N 1 2 364.453 2.582 20 30 FFEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(N)nc(Nc2ccccc2C)n1 ZINC000491381031 515420343 /nfs/dbraw/zinc/42/03/43/515420343.db2.gz NYHGYPQDUNTAEM-UHFFFAOYSA-N 1 2 364.453 2.582 20 30 FFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CCC2)[C@H]1c1ccc(Cl)cc1 ZINC000477459372 515465451 /nfs/dbraw/zinc/46/54/51/515465451.db2.gz JIEYPPSYSSZIRR-JKSUJKDBSA-N 1 2 367.902 2.698 20 30 FFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CCC2)[C@H]1c1ccc(Cl)cc1 ZINC000477459372 515465463 /nfs/dbraw/zinc/46/54/63/515465463.db2.gz JIEYPPSYSSZIRR-JKSUJKDBSA-N 1 2 367.902 2.698 20 30 FFEDLO CC(=O)N1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC12CCCCC2 ZINC000459376214 515509997 /nfs/dbraw/zinc/50/99/97/515509997.db2.gz RLSCXDHMOXBGIZ-UHFFFAOYSA-N 1 2 356.426 2.833 20 30 FFEDLO CC(=O)N1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC12CCCCC2 ZINC000459376214 515510006 /nfs/dbraw/zinc/51/00/06/515510006.db2.gz RLSCXDHMOXBGIZ-UHFFFAOYSA-N 1 2 356.426 2.833 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000459378953 515512436 /nfs/dbraw/zinc/51/24/36/515512436.db2.gz ZVXOHHLXVWSRLS-UHFFFAOYSA-N 1 2 354.385 2.923 20 30 FFEDLO Cc1oc(NC(=O)C[NH2+][C@@H](CO)c2cccc(Cl)c2F)c(C#N)c1C ZINC000499961200 515537891 /nfs/dbraw/zinc/53/78/91/515537891.db2.gz FFNPGHUUIGAZIU-AWEZNQCLSA-N 1 2 365.792 2.822 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2c(CC)cccc2CC)C1=O ZINC000500002274 515553204 /nfs/dbraw/zinc/55/32/04/515553204.db2.gz SDEAYYOYUORDNY-QAPCUYQASA-N 1 2 357.498 2.857 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2c(CC)cccc2CC)C1=O ZINC000500002274 515553214 /nfs/dbraw/zinc/55/32/14/515553214.db2.gz SDEAYYOYUORDNY-QAPCUYQASA-N 1 2 357.498 2.857 20 30 FFEDLO COCC[N@H+](Cc1cn2ccccc2c1C#N)Cc1c(C)nn(C)c1C ZINC000459574647 515661966 /nfs/dbraw/zinc/66/19/66/515661966.db2.gz TWTBHDDRPJPENC-UHFFFAOYSA-N 1 2 351.454 2.810 20 30 FFEDLO COCC[N@@H+](Cc1cn2ccccc2c1C#N)Cc1c(C)nn(C)c1C ZINC000459574647 515661975 /nfs/dbraw/zinc/66/19/75/515661975.db2.gz TWTBHDDRPJPENC-UHFFFAOYSA-N 1 2 351.454 2.810 20 30 FFEDLO N#CC1(F)CC[NH+](CC(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000510873605 515696708 /nfs/dbraw/zinc/69/67/08/515696708.db2.gz GHWCBNFPIOFINP-UHFFFAOYSA-N 1 2 373.350 2.528 20 30 FFEDLO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)c1 ZINC000510886518 515702179 /nfs/dbraw/zinc/70/21/79/515702179.db2.gz GQJWSLFDGAWALA-KBPBESRZSA-N 1 2 363.433 2.597 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[NH+]1CCC(F)(C#N)CC1 ZINC000510936391 515720972 /nfs/dbraw/zinc/72/09/72/515720972.db2.gz PALLFDBQHBIPNK-JTQLQIEISA-N 1 2 355.316 2.663 20 30 FFEDLO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000510946371 515723695 /nfs/dbraw/zinc/72/36/95/515723695.db2.gz AYLLEUFANHFDQN-UHFFFAOYSA-N 1 2 355.360 2.574 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000506029849 515756734 /nfs/dbraw/zinc/75/67/34/515756734.db2.gz DVQMVKJZFRVWIA-HNNXBMFYSA-N 1 2 373.526 2.639 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000506029849 515756744 /nfs/dbraw/zinc/75/67/44/515756744.db2.gz DVQMVKJZFRVWIA-HNNXBMFYSA-N 1 2 373.526 2.639 20 30 FFEDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000483017013 515885040 /nfs/dbraw/zinc/88/50/40/515885040.db2.gz KDZBVGFNQPMHPW-QGZVFWFLSA-N 1 2 370.428 2.764 20 30 FFEDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000483017013 515885047 /nfs/dbraw/zinc/88/50/47/515885047.db2.gz KDZBVGFNQPMHPW-QGZVFWFLSA-N 1 2 370.428 2.764 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(C#N)ccn1)c1ccc(Cl)cc1 ZINC000478596397 515886335 /nfs/dbraw/zinc/88/63/35/515886335.db2.gz XNWWWGOMZIFFKZ-INIZCTEOSA-N 1 2 351.797 2.860 20 30 FFEDLO C=CCCN(C)C(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000459959759 515927610 /nfs/dbraw/zinc/92/76/10/515927610.db2.gz USCZNYFSKPOVKK-HNNXBMFYSA-N 1 2 363.889 2.580 20 30 FFEDLO Cn1cc(C[NH+]2CCN(C(=O)C(C)(C)c3ccccc3)CC2)cc1C#N ZINC000483187488 515975066 /nfs/dbraw/zinc/97/50/66/515975066.db2.gz YPVVBFSLVOFPFK-UHFFFAOYSA-N 1 2 350.466 2.519 20 30 FFEDLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000464825819 515977228 /nfs/dbraw/zinc/97/72/28/515977228.db2.gz YCJZFNHXFFHHKD-IEBWSBKVSA-N 1 2 369.465 2.941 20 30 FFEDLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000464825819 515977235 /nfs/dbraw/zinc/97/72/35/515977235.db2.gz YCJZFNHXFFHHKD-IEBWSBKVSA-N 1 2 369.465 2.941 20 30 FFEDLO Cc1ccc(C[N@H+](CCO)CC(=O)Nc2ccccc2SCC#N)o1 ZINC000483195751 515977968 /nfs/dbraw/zinc/97/79/68/515977968.db2.gz MHZYIYSQPGXYBA-UHFFFAOYSA-N 1 2 359.451 2.637 20 30 FFEDLO Cc1ccc(C[N@@H+](CCO)CC(=O)Nc2ccccc2SCC#N)o1 ZINC000483195751 515977979 /nfs/dbraw/zinc/97/79/79/515977979.db2.gz MHZYIYSQPGXYBA-UHFFFAOYSA-N 1 2 359.451 2.637 20 30 FFEDLO COCc1ccccc1/C=C(\C)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000506805939 515991397 /nfs/dbraw/zinc/99/13/97/515991397.db2.gz MFDHYHKTHVPVPP-KNTRCKAVSA-N 1 2 357.498 2.784 20 30 FFEDLO COCc1ccccc1/C=C(\C)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000506805939 515991407 /nfs/dbraw/zinc/99/14/07/515991407.db2.gz MFDHYHKTHVPVPP-KNTRCKAVSA-N 1 2 357.498 2.784 20 30 FFEDLO COCc1ccccc1/C=C(\C)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000506805939 515991414 /nfs/dbraw/zinc/99/14/14/515991414.db2.gz MFDHYHKTHVPVPP-KNTRCKAVSA-N 1 2 357.498 2.784 20 30 FFEDLO C=CC(C)(C)CNC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000455254826 516074821 /nfs/dbraw/zinc/07/48/21/516074821.db2.gz YTYDFMJKNSZFSQ-UHFFFAOYSA-N 1 2 358.486 2.684 20 30 FFEDLO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507206272 516124306 /nfs/dbraw/zinc/12/43/06/516124306.db2.gz NLUQYGQXIAJHRH-FQEVSTJZSA-N 1 2 366.440 2.649 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000507293709 516160184 /nfs/dbraw/zinc/16/01/84/516160184.db2.gz SXZCTIVGQNNRCR-GOSISDBHSA-N 1 2 363.546 2.914 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(=O)n2c(C)cccc2n1 ZINC000512151152 516175801 /nfs/dbraw/zinc/17/58/01/516175801.db2.gz XVDLGDDOEJNQPL-UHFFFAOYSA-N 1 2 353.422 2.667 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(=O)n2c(C)cccc2n1 ZINC000512151152 516175806 /nfs/dbraw/zinc/17/58/06/516175806.db2.gz XVDLGDDOEJNQPL-UHFFFAOYSA-N 1 2 353.422 2.667 20 30 FFEDLO N#Cc1cccc(C[NH+]2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)c1 ZINC000495500721 516182538 /nfs/dbraw/zinc/18/25/38/516182538.db2.gz AWQGUFBWTMEREG-IBGZPJMESA-N 1 2 368.868 2.556 20 30 FFEDLO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1nccn1CC(F)(F)F ZINC000488437314 516225877 /nfs/dbraw/zinc/22/58/77/516225877.db2.gz XSQXBVBEIUQFAU-UHFFFAOYSA-N 1 2 365.359 2.778 20 30 FFEDLO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1nccn1CC(F)(F)F ZINC000488437314 516225883 /nfs/dbraw/zinc/22/58/83/516225883.db2.gz XSQXBVBEIUQFAU-UHFFFAOYSA-N 1 2 365.359 2.778 20 30 FFEDLO N#Cc1c(F)cccc1-n1ccc(NCc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000512400914 516265220 /nfs/dbraw/zinc/26/52/20/516265220.db2.gz IFFCELGQIYDMBP-UHFFFAOYSA-N 1 2 362.412 2.912 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000507671385 516280038 /nfs/dbraw/zinc/28/00/38/516280038.db2.gz DTJMIHYSLPRKRE-RBUKOAKNSA-N 1 2 371.525 2.963 20 30 FFEDLO Cc1cc(N2CC[NH+](CC(=O)Nc3c(C)cccc3C)CC2)cc(C#N)n1 ZINC000561105772 516382688 /nfs/dbraw/zinc/38/26/88/516382688.db2.gz QVZTYIFGDJMKHU-UHFFFAOYSA-N 1 2 363.465 2.639 20 30 FFEDLO Cc1cc([C@H]2C[N@H+](C[C@H](O)COc3ccccc3C#N)CCO2)ccc1F ZINC000528435241 516433316 /nfs/dbraw/zinc/43/33/16/516433316.db2.gz ZQIGSYWWDPKDQN-GHTZIAJQSA-N 1 2 370.424 2.819 20 30 FFEDLO Cc1cc([C@H]2C[N@@H+](C[C@H](O)COc3ccccc3C#N)CCO2)ccc1F ZINC000528435241 516433325 /nfs/dbraw/zinc/43/33/25/516433325.db2.gz ZQIGSYWWDPKDQN-GHTZIAJQSA-N 1 2 370.424 2.819 20 30 FFEDLO C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)cc2C1=O ZINC000523430430 516467881 /nfs/dbraw/zinc/46/78/81/516467881.db2.gz JOCDQJIDZJWBQA-INIZCTEOSA-N 1 2 364.405 2.559 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[NH+]2CC(c3nc4ccccc4s3)C2)cc1 ZINC000540237674 516487450 /nfs/dbraw/zinc/48/74/50/516487450.db2.gz KBAHMVVJPZYVEZ-UHFFFAOYSA-N 1 2 362.458 2.884 20 30 FFEDLO CCC[N@H+](CCN1CCCCC1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000513152397 516494074 /nfs/dbraw/zinc/49/40/74/516494074.db2.gz DQYANSAOQWNFFF-UHFFFAOYSA-N 1 2 363.527 2.530 20 30 FFEDLO CCC[N@@H+](CCN1CCCCC1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000513152397 516494079 /nfs/dbraw/zinc/49/40/79/516494079.db2.gz DQYANSAOQWNFFF-UHFFFAOYSA-N 1 2 363.527 2.530 20 30 FFEDLO N#Cc1ccc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cn1 ZINC000528523289 516501391 /nfs/dbraw/zinc/50/13/91/516501391.db2.gz URDHZBKGEDVGBL-MRXNPFEDSA-N 1 2 370.403 2.555 20 30 FFEDLO N#Cc1ccc(CC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cn1 ZINC000528523289 516501398 /nfs/dbraw/zinc/50/13/98/516501398.db2.gz URDHZBKGEDVGBL-MRXNPFEDSA-N 1 2 370.403 2.555 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)c(F)c1 ZINC000561307923 516513549 /nfs/dbraw/zinc/51/35/49/516513549.db2.gz FIXAEQCYYOIAGZ-OAHLLOKOSA-N 1 2 368.412 2.910 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC#Cc1cccc(F)c1 ZINC000513220228 516529924 /nfs/dbraw/zinc/52/99/24/516529924.db2.gz UKJARECNGHUMHN-UHFFFAOYSA-N 1 2 357.335 2.930 20 30 FFEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)c1cc(N2CCOCC2)[nH+]cn1 ZINC000561381227 516554066 /nfs/dbraw/zinc/55/40/66/516554066.db2.gz MFGAYMDKZCFCLS-UHFFFAOYSA-N 1 2 356.474 2.673 20 30 FFEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)c1cc(N2CCOCC2)nc[nH+]1 ZINC000561381227 516554072 /nfs/dbraw/zinc/55/40/72/516554072.db2.gz MFGAYMDKZCFCLS-UHFFFAOYSA-N 1 2 356.474 2.673 20 30 FFEDLO CC1CC(C#N)(C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)C1 ZINC000548020064 516707136 /nfs/dbraw/zinc/70/71/36/516707136.db2.gz RMMWZEPWWNNRKZ-LFDOHDQPSA-N 1 2 354.454 2.601 20 30 FFEDLO N#C[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000513676916 516715072 /nfs/dbraw/zinc/71/50/72/516715072.db2.gz MZJXKUOLQMNWFH-VLIAUNLRSA-N 1 2 351.381 2.550 20 30 FFEDLO N#C[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000513676916 516715080 /nfs/dbraw/zinc/71/50/80/516715080.db2.gz MZJXKUOLQMNWFH-VLIAUNLRSA-N 1 2 351.381 2.550 20 30 FFEDLO N#Cc1ccc(CC(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)cn1 ZINC000528946461 516817308 /nfs/dbraw/zinc/81/73/08/516817308.db2.gz UMFRVOKEEJHWQB-UHFFFAOYSA-N 1 2 371.444 2.520 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000524757009 516819776 /nfs/dbraw/zinc/81/97/76/516819776.db2.gz BNEDKILLZGHDCL-INIZCTEOSA-N 1 2 374.448 2.882 20 30 FFEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548281617 516869836 /nfs/dbraw/zinc/86/98/36/516869836.db2.gz KUHFMWAVGAXBHU-HNNXBMFYSA-N 1 2 362.355 2.568 20 30 FFEDLO COc1cc2cc[nH+]cc2cc1OC[C@H](O)COc1ccc(C#N)cc1 ZINC000562210563 516958856 /nfs/dbraw/zinc/95/88/56/516958856.db2.gz JJAFDEOLFJTYQF-QGZVFWFLSA-N 1 2 350.374 2.934 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000519450078 517004047 /nfs/dbraw/zinc/00/40/47/517004047.db2.gz QQBUIMUUMLIRNZ-CABCVRRESA-N 1 2 362.499 2.781 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000519450078 517004054 /nfs/dbraw/zinc/00/40/54/517004054.db2.gz QQBUIMUUMLIRNZ-CABCVRRESA-N 1 2 362.499 2.781 20 30 FFEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000555684288 517064054 /nfs/dbraw/zinc/06/40/54/517064054.db2.gz XLLFBDHKDYPRLM-SJORKVTESA-N 1 2 357.454 2.566 20 30 FFEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000555684288 517064059 /nfs/dbraw/zinc/06/40/59/517064059.db2.gz XLLFBDHKDYPRLM-SJORKVTESA-N 1 2 357.454 2.566 20 30 FFEDLO N#CCC[C@H](C#N)C[NH2+][C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000514906472 517116088 /nfs/dbraw/zinc/11/60/88/517116088.db2.gz AQKPYJWRIALPGZ-TZMCWYRMSA-N 1 2 350.344 2.844 20 30 FFEDLO Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3snc(C)c3C#N)CC2)o1 ZINC000514976578 517150085 /nfs/dbraw/zinc/15/00/85/517150085.db2.gz DICJYDAVIVNPED-UHFFFAOYSA-N 1 2 368.466 2.937 20 30 FFEDLO COc1ccccc1C[C@@H](C)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000532826352 517160510 /nfs/dbraw/zinc/16/05/10/517160510.db2.gz QYSIDEATKIEYPO-MRXNPFEDSA-N 1 2 372.490 2.904 20 30 FFEDLO COc1ccccc1C[C@@H](C)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000532826352 517160520 /nfs/dbraw/zinc/16/05/20/517160520.db2.gz QYSIDEATKIEYPO-MRXNPFEDSA-N 1 2 372.490 2.904 20 30 FFEDLO N#Cc1csc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)n1 ZINC000515019551 517172290 /nfs/dbraw/zinc/17/22/90/517172290.db2.gz MTLJVCDMGIXKRQ-ZDUSSCGKSA-N 1 2 350.806 2.702 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[NH+]2CC(OCCCc3ccccc3)C2)cc1 ZINC000545342941 517186571 /nfs/dbraw/zinc/18/65/71/517186571.db2.gz OCMMOPZAWGZWEK-FQEVSTJZSA-N 1 2 366.461 2.632 20 30 FFEDLO C=CC[N@@H+](Cc1cc(OC)cc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000529527016 517198929 /nfs/dbraw/zinc/19/89/29/517198929.db2.gz PWCFUHYLYNEGKT-AWEZNQCLSA-N 1 2 363.401 2.889 20 30 FFEDLO C=CC[N@H+](Cc1cc(OC)cc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000529527016 517198938 /nfs/dbraw/zinc/19/89/38/517198938.db2.gz PWCFUHYLYNEGKT-AWEZNQCLSA-N 1 2 363.401 2.889 20 30 FFEDLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)c(C)c1 ZINC000525886438 517218731 /nfs/dbraw/zinc/21/87/31/517218731.db2.gz UDPDGVDQWNESTC-UHFFFAOYSA-N 1 2 353.466 2.761 20 30 FFEDLO C=CC[C@H](CO)CNC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000545427859 517234346 /nfs/dbraw/zinc/23/43/46/517234346.db2.gz PATWRAKFAJXSRV-HNNXBMFYSA-N 1 2 353.466 2.527 20 30 FFEDLO C=CC[C@H](CO)CNC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000545427859 517234351 /nfs/dbraw/zinc/23/43/51/517234351.db2.gz PATWRAKFAJXSRV-HNNXBMFYSA-N 1 2 353.466 2.527 20 30 FFEDLO CC1=C(c2ccco2)C[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000548848364 517253458 /nfs/dbraw/zinc/25/34/58/517253458.db2.gz UZRHXUPCQMWPBF-GOSISDBHSA-N 1 2 361.401 2.963 20 30 FFEDLO CC1=C(c2ccco2)C[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000548848364 517253466 /nfs/dbraw/zinc/25/34/66/517253466.db2.gz UZRHXUPCQMWPBF-GOSISDBHSA-N 1 2 361.401 2.963 20 30 FFEDLO N#CCc1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000559450851 517262552 /nfs/dbraw/zinc/26/25/52/517262552.db2.gz WANHYZYLITXKDM-UHFFFAOYSA-N 1 2 364.405 2.619 20 30 FFEDLO Cc1cccc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)c1C#N ZINC000533096180 517292791 /nfs/dbraw/zinc/29/27/91/517292791.db2.gz KFFQMCCAVGTAQF-GOSISDBHSA-N 1 2 366.446 2.668 20 30 FFEDLO COc1cc(C#N)ccc1NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000520328455 517347176 /nfs/dbraw/zinc/34/71/76/517347176.db2.gz DMGCNGWCCTWYNS-UHFFFAOYSA-N 1 2 351.410 2.624 20 30 FFEDLO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c2[nH+]ccn21 ZINC000562731659 517350634 /nfs/dbraw/zinc/35/06/34/517350634.db2.gz XUGGXIPBNKOHGN-RNCFNFMXSA-N 1 2 370.356 2.758 20 30 FFEDLO COCc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1C#N ZINC000529815646 517360359 /nfs/dbraw/zinc/36/03/59/517360359.db2.gz HVSOKMGQHODKFT-LJQANCHMSA-N 1 2 350.422 2.703 20 30 FFEDLO COCc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1C#N ZINC000529815646 517360364 /nfs/dbraw/zinc/36/03/64/517360364.db2.gz HVSOKMGQHODKFT-LJQANCHMSA-N 1 2 350.422 2.703 20 30 FFEDLO C=CCn1c(COc2ccccc2)nnc1SCC[N@@H+]1CCO[C@@H](C)C1 ZINC000556337184 517376271 /nfs/dbraw/zinc/37/62/71/517376271.db2.gz KYENYSLIMPXYEM-INIZCTEOSA-N 1 2 374.510 2.856 20 30 FFEDLO C=CCn1c(COc2ccccc2)nnc1SCC[N@H+]1CCO[C@@H](C)C1 ZINC000556337184 517376281 /nfs/dbraw/zinc/37/62/81/517376281.db2.gz KYENYSLIMPXYEM-INIZCTEOSA-N 1 2 374.510 2.856 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)c(OC)c2)CC1 ZINC000549111572 517404094 /nfs/dbraw/zinc/40/40/94/517404094.db2.gz AUFSDDYLQXONPL-INIZCTEOSA-N 1 2 361.461 2.545 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000515746397 517463913 /nfs/dbraw/zinc/46/39/13/517463913.db2.gz LLFYHAUPYIQLMC-UHFFFAOYSA-N 1 2 362.412 2.600 20 30 FFEDLO N#Cc1ccc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C(F)(F)F ZINC000562875696 517471355 /nfs/dbraw/zinc/47/13/55/517471355.db2.gz IQQLOZQDPCMFDZ-OKILXGFUSA-N 1 2 368.359 2.562 20 30 FFEDLO N#Cc1ccc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C(F)(F)F ZINC000562875696 517471364 /nfs/dbraw/zinc/47/13/64/517471364.db2.gz IQQLOZQDPCMFDZ-OKILXGFUSA-N 1 2 368.359 2.562 20 30 FFEDLO COc1cc(C#N)ccc1NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000546005513 517485190 /nfs/dbraw/zinc/48/51/90/517485190.db2.gz NXGBPCDRDJTPRZ-UHFFFAOYSA-N 1 2 353.304 2.647 20 30 FFEDLO CCOC(=O)[C@H](Cc1ccccc1)N(C)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000556599977 517511298 /nfs/dbraw/zinc/51/12/98/517511298.db2.gz FEGOMZBQHBMYBQ-IBGZPJMESA-N 1 2 362.433 2.812 20 30 FFEDLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3cnc4ccc(C#N)cn34)n2)c1 ZINC000556617862 517523318 /nfs/dbraw/zinc/52/33/18/517523318.db2.gz FGXXTAKTNGRFIY-CYBMUJFWSA-N 1 2 358.409 2.545 20 30 FFEDLO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000527155345 517530976 /nfs/dbraw/zinc/53/09/76/517530976.db2.gz KHMMTPIPVHBQPY-UHFFFAOYSA-N 1 2 366.421 2.671 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000516119099 517574002 /nfs/dbraw/zinc/57/40/02/517574002.db2.gz KLOQJBMMJMKXJT-KRWDZBQOSA-N 1 2 374.510 2.759 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000516119099 517574013 /nfs/dbraw/zinc/57/40/13/517574013.db2.gz KLOQJBMMJMKXJT-KRWDZBQOSA-N 1 2 374.510 2.759 20 30 FFEDLO CC1(C)Cc2ccsc2C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000556791801 517661051 /nfs/dbraw/zinc/66/10/51/517661051.db2.gz HUSFSSSQMIJETM-UHFFFAOYSA-N 1 2 361.492 2.625 20 30 FFEDLO CC1(C)Cc2ccsc2C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000556791801 517661061 /nfs/dbraw/zinc/66/10/61/517661061.db2.gz HUSFSSSQMIJETM-UHFFFAOYSA-N 1 2 361.492 2.625 20 30 FFEDLO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000516667216 517798862 /nfs/dbraw/zinc/79/88/62/517798862.db2.gz KFDYXOVPZOFPLG-FUHWJXTLSA-N 1 2 371.485 2.867 20 30 FFEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C#N)cn2)CCN1Cc1ccc(C#N)cn1 ZINC000563349568 517841147 /nfs/dbraw/zinc/84/11/47/517841147.db2.gz HASZSVZOTGATJC-HTAPYJJXSA-N 1 2 374.492 2.952 20 30 FFEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCN1Cc1ccc(C#N)cn1 ZINC000563349568 517841156 /nfs/dbraw/zinc/84/11/56/517841156.db2.gz HASZSVZOTGATJC-HTAPYJJXSA-N 1 2 374.492 2.952 20 30 FFEDLO N#Cc1ccc(-n2ccc(NC(=O)c3ccc4[nH+]ccn4c3)n2)c(Cl)c1 ZINC000542972478 517847631 /nfs/dbraw/zinc/84/76/31/517847631.db2.gz QWGHTIVVLLJNTL-UHFFFAOYSA-N 1 2 362.780 2.719 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(F)cc3F)CC2)cc1 ZINC000521776759 517851600 /nfs/dbraw/zinc/85/16/00/517851600.db2.gz WWIYEFLVKJAIJJ-UHFFFAOYSA-N 1 2 370.403 2.864 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)N(C)c1cc(Br)c(C#N)cc1F ZINC000563426528 517896894 /nfs/dbraw/zinc/89/68/94/517896894.db2.gz MRYJSYUWJOJXSH-LLVKDONJSA-N 1 2 356.239 2.617 20 30 FFEDLO COC(=O)c1oc([C@H](C)[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1C ZINC000546917886 517918804 /nfs/dbraw/zinc/91/88/04/517918804.db2.gz AHXKYIVMRXQBGB-AWEZNQCLSA-N 1 2 354.410 2.525 20 30 FFEDLO CCC[N@H+](Cc1ccc(Br)cc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000553860593 517936838 /nfs/dbraw/zinc/93/68/38/517936838.db2.gz JHCZLEZRBNPQJW-HNNXBMFYSA-N 1 2 371.300 2.720 20 30 FFEDLO CCC[N@@H+](Cc1ccc(Br)cc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000553860593 517936843 /nfs/dbraw/zinc/93/68/43/517936843.db2.gz JHCZLEZRBNPQJW-HNNXBMFYSA-N 1 2 371.300 2.720 20 30 FFEDLO N#Cc1cc(F)c(N2CCC[C@H]2C[NH+]2CCOCC2)cc1Br ZINC000517041140 517994180 /nfs/dbraw/zinc/99/41/80/517994180.db2.gz GZSJMLPZAZDFCL-ZDUSSCGKSA-N 1 2 368.250 2.761 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3cccc(Cl)c3)C2)nc1 ZINC000563668550 518055298 /nfs/dbraw/zinc/05/52/98/518055298.db2.gz CYJADBYRFSOSHJ-MRXNPFEDSA-N 1 2 356.813 2.698 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3cccc(Cl)c3)C2)nc1 ZINC000563668550 518055308 /nfs/dbraw/zinc/05/53/08/518055308.db2.gz CYJADBYRFSOSHJ-MRXNPFEDSA-N 1 2 356.813 2.698 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)s1 ZINC000517247446 518088711 /nfs/dbraw/zinc/08/87/11/518088711.db2.gz VLMZOGBNZPNYMI-CQSZACIVSA-N 1 2 367.883 2.608 20 30 FFEDLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1c1cccc(F)c1 ZINC000566821583 518217448 /nfs/dbraw/zinc/21/74/48/518217448.db2.gz SJIVBVCRQMRTOV-LIRRHRJNSA-N 1 2 373.453 2.949 20 30 FFEDLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1c1cccc(F)c1 ZINC000566821583 518217455 /nfs/dbraw/zinc/21/74/55/518217455.db2.gz SJIVBVCRQMRTOV-LIRRHRJNSA-N 1 2 373.453 2.949 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(F)c2ccccc2c1 ZINC000564187569 518341186 /nfs/dbraw/zinc/34/11/86/518341186.db2.gz IVISSIBSTZYLLY-UHFFFAOYSA-N 1 2 355.413 2.667 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](C)c1ccc(F)cc1 ZINC000567197063 518399957 /nfs/dbraw/zinc/39/99/57/518399957.db2.gz HROZMPZAFUEBAH-AWEZNQCLSA-N 1 2 361.442 2.949 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](C)c1ccc(F)cc1 ZINC000567197063 518399963 /nfs/dbraw/zinc/39/99/63/518399963.db2.gz HROZMPZAFUEBAH-AWEZNQCLSA-N 1 2 361.442 2.949 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CSc1cccc(Br)c1 ZINC000578993572 518471645 /nfs/dbraw/zinc/47/16/45/518471645.db2.gz XHQRHHZGZQJTGU-CQSZACIVSA-N 1 2 356.289 2.501 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)C(C)(C)CN1Cc1ccc(C#N)cn1 ZINC000584787764 518477640 /nfs/dbraw/zinc/47/76/40/518477640.db2.gz HOIBEYHAKKDPJU-MRXNPFEDSA-N 1 2 360.465 2.705 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)C(C)(C)CN1Cc1ccc(C#N)cn1 ZINC000584787764 518477645 /nfs/dbraw/zinc/47/76/45/518477645.db2.gz HOIBEYHAKKDPJU-MRXNPFEDSA-N 1 2 360.465 2.705 20 30 FFEDLO N#Cc1csc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1 ZINC000564528284 518486939 /nfs/dbraw/zinc/48/69/39/518486939.db2.gz HEPFRCYYUOUYDK-UHFFFAOYSA-N 1 2 358.442 2.682 20 30 FFEDLO CCOc1cccc(Cl)c1C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000564586926 518515579 /nfs/dbraw/zinc/51/55/79/518515579.db2.gz ZGISSMPPOZCPHJ-UHFFFAOYSA-N 1 2 373.888 2.975 20 30 FFEDLO C[C@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)c2cc(F)ccc2C[NH2+]1 ZINC000582181458 518626561 /nfs/dbraw/zinc/62/65/61/518626561.db2.gz YLDFWHPWJGFRNE-AWEZNQCLSA-N 1 2 373.453 2.720 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000582363074 518718360 /nfs/dbraw/zinc/71/83/60/518718360.db2.gz HKQIJJMBQHHDTH-MRXNPFEDSA-N 1 2 363.512 2.532 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3ccccc3F)CC2)nc1 ZINC000573721383 518804050 /nfs/dbraw/zinc/80/40/50/518804050.db2.gz XRWMCMDTGNEXOY-UHFFFAOYSA-N 1 2 373.453 2.746 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](CC(=O)NCCOc1ccc(C#N)cc1)C(F)(F)F ZINC000565191977 518835766 /nfs/dbraw/zinc/83/57/66/518835766.db2.gz YEHUBWMUZXRMPZ-CQSZACIVSA-N 1 2 366.343 2.523 20 30 FFEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000582608336 518836723 /nfs/dbraw/zinc/83/67/23/518836723.db2.gz FVPRUBYJLCCQLY-OKILXGFUSA-N 1 2 358.442 2.934 20 30 FFEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000582608336 518836728 /nfs/dbraw/zinc/83/67/28/518836728.db2.gz FVPRUBYJLCCQLY-OKILXGFUSA-N 1 2 358.442 2.934 20 30 FFEDLO Cc1ccc(OCc2nc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cs2)cc1 ZINC000565280522 518875498 /nfs/dbraw/zinc/87/54/98/518875498.db2.gz RELWMCXTILFVDF-IBGZPJMESA-N 1 2 372.494 2.533 20 30 FFEDLO CC[C@H]1c2ccccc2CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588960202 518881011 /nfs/dbraw/zinc/88/10/11/518881011.db2.gz FLTNFUCNUNFBKE-SFHVURJKSA-N 1 2 355.463 2.736 20 30 FFEDLO CC[C@H]1c2ccccc2CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588960202 518881014 /nfs/dbraw/zinc/88/10/14/518881014.db2.gz FLTNFUCNUNFBKE-SFHVURJKSA-N 1 2 355.463 2.736 20 30 FFEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1S(=O)(=O)CC1(CC#N)CC1 ZINC000565345345 518907559 /nfs/dbraw/zinc/90/75/59/518907559.db2.gz JDKAAPVWOGCRAA-INIZCTEOSA-N 1 2 372.494 2.833 20 30 FFEDLO CC(C)(C)Oc1cccc(C[NH+]2CCN(c3cnccc3C#N)CC2)n1 ZINC000577131115 518927856 /nfs/dbraw/zinc/92/78/56/518927856.db2.gz BRHBSTRQWSEAFR-UHFFFAOYSA-N 1 2 351.454 2.848 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cc(O)cc(C#N)c3)CC2)cc1 ZINC000589162742 518935686 /nfs/dbraw/zinc/93/56/86/518935686.db2.gz KBHHPIQRGBKHGR-UHFFFAOYSA-N 1 2 365.433 2.621 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)c1C#N ZINC000589520642 519024189 /nfs/dbraw/zinc/02/41/89/519024189.db2.gz NHJIBTGPFXQXRH-UHFFFAOYSA-N 1 2 357.439 2.862 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000568582002 519109521 /nfs/dbraw/zinc/10/95/21/519109521.db2.gz NSBGGLJPDRXWEN-YOEHRIQHSA-N 1 2 368.412 2.963 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000568582002 519109529 /nfs/dbraw/zinc/10/95/29/519109529.db2.gz NSBGGLJPDRXWEN-YOEHRIQHSA-N 1 2 368.412 2.963 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000590464498 519240874 /nfs/dbraw/zinc/24/08/74/519240874.db2.gz OMEGHLGVEAUMDB-OALUTQOASA-N 1 2 360.498 2.717 20 30 FFEDLO C[N@@H+]1CCO[C@@H]([C@@H](NCc2nc(C#N)cs2)c2ccc(Cl)cc2)C1 ZINC000571770651 519268417 /nfs/dbraw/zinc/26/84/17/519268417.db2.gz PGTPOOYBWQLAMF-WBVHZDCISA-N 1 2 362.886 2.830 20 30 FFEDLO C[N@H+]1CCO[C@@H]([C@@H](NCc2nc(C#N)cs2)c2ccc(Cl)cc2)C1 ZINC000571770651 519268425 /nfs/dbraw/zinc/26/84/25/519268425.db2.gz PGTPOOYBWQLAMF-WBVHZDCISA-N 1 2 362.886 2.830 20 30 FFEDLO C=CCCCCCNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000580660072 519289900 /nfs/dbraw/zinc/28/99/00/519289900.db2.gz XITQTIFLTDMOHJ-UHFFFAOYSA-N 1 2 372.513 2.797 20 30 FFEDLO C[N@@H+]1CCO[C@H](CSCC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000583563789 519313029 /nfs/dbraw/zinc/31/30/29/519313029.db2.gz BPPCTJRZMYQHMU-HNNXBMFYSA-N 1 2 357.479 2.801 20 30 FFEDLO C[N@H+]1CCO[C@H](CSCC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000583563789 519313039 /nfs/dbraw/zinc/31/30/39/519313039.db2.gz BPPCTJRZMYQHMU-HNNXBMFYSA-N 1 2 357.479 2.801 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000580757391 519341150 /nfs/dbraw/zinc/34/11/50/519341150.db2.gz NLTPKKLNVJWEET-LZQZEXGQSA-N 1 2 359.470 2.935 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000566199394 519365050 /nfs/dbraw/zinc/36/50/50/519365050.db2.gz URDGINOGEHRSQD-DOTOQJQBSA-N 1 2 357.364 2.798 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000566199394 519365052 /nfs/dbraw/zinc/36/50/52/519365052.db2.gz URDGINOGEHRSQD-DOTOQJQBSA-N 1 2 357.364 2.798 20 30 FFEDLO Cc1cc(OCC(=O)N2CC[NH+](Cc3cccs3)CC2)ccc1C#N ZINC000571979836 519378765 /nfs/dbraw/zinc/37/87/65/519378765.db2.gz WMFUPFHMHDFBFW-UHFFFAOYSA-N 1 2 355.463 2.651 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)n1cc[nH+]c1 ZINC000566328508 519436817 /nfs/dbraw/zinc/43/68/17/519436817.db2.gz POOWTWHFMBZMQQ-GDBMZVCRSA-N 1 2 355.417 2.630 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)nc1N ZINC000572135420 519462201 /nfs/dbraw/zinc/46/22/01/519462201.db2.gz YAIRRTKUBHIFFT-UHFFFAOYSA-N 1 2 361.371 2.876 20 30 FFEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2ccc3ccccc3c2)c1=O ZINC000578206920 519474564 /nfs/dbraw/zinc/47/45/64/519474564.db2.gz FNEQYWPKVKSXLS-UHFFFAOYSA-N 1 2 359.429 2.754 20 30 FFEDLO N#CCCC1CCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000578234167 519488567 /nfs/dbraw/zinc/48/85/67/519488567.db2.gz OLSRWDXPNHQCAX-UHFFFAOYSA-N 1 2 358.467 2.636 20 30 FFEDLO N#C[C@@]1(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC12CCCC2 ZINC000572209446 519495381 /nfs/dbraw/zinc/49/53/81/519495381.db2.gz GTYFFPUFSHKHPG-OAQYLSRUSA-N 1 2 370.472 2.538 20 30 FFEDLO C[NH+](C)[C@H](CNS(=O)(=O)CC1(CC#N)CC1)c1ccccc1Cl ZINC000578280537 519509478 /nfs/dbraw/zinc/50/94/78/519509478.db2.gz GUCOPTWXMNSZDJ-OAHLLOKOSA-N 1 2 355.891 2.556 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H](Nc3cc(N4CCCC4)nc[nH+]3)C2=O)cc1 ZINC000581267494 519605999 /nfs/dbraw/zinc/60/59/99/519605999.db2.gz ADGIKYPRSWQAOJ-KRWDZBQOSA-N 1 2 362.437 2.556 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H](Nc3cc(N4CCCC4)[nH+]cn3)C2=O)cc1 ZINC000581267494 519606007 /nfs/dbraw/zinc/60/60/07/519606007.db2.gz ADGIKYPRSWQAOJ-KRWDZBQOSA-N 1 2 362.437 2.556 20 30 FFEDLO C[C@H]1C[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)N1CC#N ZINC000602853278 519927399 /nfs/dbraw/zinc/92/73/99/519927399.db2.gz HNPGWXTWASSDKQ-KBPBESRZSA-N 1 2 355.398 2.668 20 30 FFEDLO CC[C@@H](NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000602855483 519928049 /nfs/dbraw/zinc/92/80/49/519928049.db2.gz HERXNQXFEGYOCB-RVKKMQEKSA-N 1 2 362.905 2.825 20 30 FFEDLO CC[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000602855483 519928059 /nfs/dbraw/zinc/92/80/59/519928059.db2.gz HERXNQXFEGYOCB-RVKKMQEKSA-N 1 2 362.905 2.825 20 30 FFEDLO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602857020 519928861 /nfs/dbraw/zinc/92/88/61/519928861.db2.gz NXWYFPRLYOCUIY-BFYDXBDKSA-N 1 2 360.527 2.502 20 30 FFEDLO N#Cc1ccccc1NC1CC[NH+](Cc2nnnn2-c2ccccc2)CC1 ZINC000602899474 519959163 /nfs/dbraw/zinc/95/91/63/519959163.db2.gz UMHYQQWGYZKILZ-UHFFFAOYSA-N 1 2 359.437 2.610 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1ccc(Br)cc1F ZINC000602926025 519976678 /nfs/dbraw/zinc/97/66/78/519976678.db2.gz NHCNRKGTIRYLAX-NSHDSACASA-N 1 2 356.239 2.781 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1ccc(Br)cc1F ZINC000602926025 519976684 /nfs/dbraw/zinc/97/66/84/519976684.db2.gz NHCNRKGTIRYLAX-NSHDSACASA-N 1 2 356.239 2.781 20 30 FFEDLO N#Cc1ccc2c(c1)CN(c1cc(C[NH+]3CCOCC3)ccc1[N+](=O)[O-])C2 ZINC000594602330 520048800 /nfs/dbraw/zinc/04/88/00/520048800.db2.gz DVKLUABJTYTEIZ-UHFFFAOYSA-N 1 2 364.405 2.819 20 30 FFEDLO CC(C)(C)n1cc(C[NH+]2CCN(c3ncc4c(c3C#N)CCC4)CC2)cn1 ZINC000591819463 520051415 /nfs/dbraw/zinc/05/14/15/520051415.db2.gz HDHBDILZEGZLIJ-UHFFFAOYSA-N 1 2 364.497 2.716 20 30 FFEDLO CCNC(=O)COc1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)cc1OC ZINC000594610428 520054575 /nfs/dbraw/zinc/05/45/75/520054575.db2.gz DZIMAJCVYFLVFA-UHFFFAOYSA-N 1 2 365.433 2.598 20 30 FFEDLO CCNC(=O)COc1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)cc1OC ZINC000594610428 520054580 /nfs/dbraw/zinc/05/45/80/520054580.db2.gz DZIMAJCVYFLVFA-UHFFFAOYSA-N 1 2 365.433 2.598 20 30 FFEDLO N#Cc1ccc(Cn2cc(C[NH+]3CCN(c4ccccc4)CC3)nn2)cc1 ZINC000603159246 520123375 /nfs/dbraw/zinc/12/33/75/520123375.db2.gz CCUADYJVJVMONX-UHFFFAOYSA-N 1 2 358.449 2.520 20 30 FFEDLO N#Cc1cc(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)ccc1Cl ZINC000597621178 520140718 /nfs/dbraw/zinc/14/07/18/520140718.db2.gz INHQENDBCZNELM-UHFFFAOYSA-N 1 2 359.817 2.511 20 30 FFEDLO N#Cc1ccc(CCn2cc(C[NH+]3CCN(c4ccccc4)CC3)nn2)cc1 ZINC000603249385 520181995 /nfs/dbraw/zinc/18/19/95/520181995.db2.gz USSNIFOUGBKHGN-UHFFFAOYSA-N 1 2 372.476 2.715 20 30 FFEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2ccc(C(F)F)cc2)c1=O ZINC000594902279 520210955 /nfs/dbraw/zinc/21/09/55/520210955.db2.gz VAVULOMADFOKDR-UHFFFAOYSA-N 1 2 359.376 2.538 20 30 FFEDLO CCN(C(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1)[C@H](C)c1ccc(F)cc1 ZINC000609537805 520347398 /nfs/dbraw/zinc/34/73/98/520347398.db2.gz DUAGSZXAPGKJCI-XLIONFOSSA-N 1 2 374.504 2.901 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000603784509 520359938 /nfs/dbraw/zinc/35/99/38/520359938.db2.gz FUKXGVPQNAZHNN-LVCYWYKZSA-N 1 2 368.525 2.759 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000603784509 520359947 /nfs/dbraw/zinc/35/99/47/520359947.db2.gz FUKXGVPQNAZHNN-LVCYWYKZSA-N 1 2 368.525 2.759 20 30 FFEDLO CCCC(=O)NC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000603878294 520389125 /nfs/dbraw/zinc/38/91/25/520389125.db2.gz FZAOIZUXEAIACP-UHFFFAOYSA-N 1 2 362.861 2.531 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(F)c(C#N)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000609634973 520390215 /nfs/dbraw/zinc/39/02/15/520390215.db2.gz FWZXYERFPGJETM-CQSZACIVSA-N 1 2 370.403 2.986 20 30 FFEDLO CCOC(=O)c1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)[nH]n1 ZINC000592499793 520420103 /nfs/dbraw/zinc/42/01/03/520420103.db2.gz LYLVUWSYNWUTFS-UHFFFAOYSA-N 1 2 354.410 2.501 20 30 FFEDLO Cc1ccccc1-n1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cn1 ZINC000592504530 520424102 /nfs/dbraw/zinc/42/41/02/520424102.db2.gz HHLDDVBKITVFTK-KRWDZBQOSA-N 1 2 373.464 2.553 20 30 FFEDLO Cc1ccccc1-n1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cn1 ZINC000592504530 520424111 /nfs/dbraw/zinc/42/41/11/520424111.db2.gz HHLDDVBKITVFTK-KRWDZBQOSA-N 1 2 373.464 2.553 20 30 FFEDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000609895082 520473219 /nfs/dbraw/zinc/47/32/19/520473219.db2.gz IDUGVJAUROLRKO-LJQANCHMSA-N 1 2 351.406 2.733 20 30 FFEDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000609895082 520473225 /nfs/dbraw/zinc/47/32/25/520473225.db2.gz IDUGVJAUROLRKO-LJQANCHMSA-N 1 2 351.406 2.733 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC000595500728 520510231 /nfs/dbraw/zinc/51/02/31/520510231.db2.gz KYAFHTGVRSAMDX-QGZVFWFLSA-N 1 2 355.463 2.607 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC000595500728 520510243 /nfs/dbraw/zinc/51/02/43/520510243.db2.gz KYAFHTGVRSAMDX-QGZVFWFLSA-N 1 2 355.463 2.607 20 30 FFEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCCN(c3cccc(F)c3F)CC2)c1 ZINC000595507338 520516393 /nfs/dbraw/zinc/51/63/93/520516393.db2.gz VMXLWWLEGCELIX-UHFFFAOYSA-N 1 2 370.403 2.987 20 30 FFEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCCN(c3cccc(F)c3F)CC2)c1 ZINC000595507338 520516399 /nfs/dbraw/zinc/51/63/99/520516399.db2.gz VMXLWWLEGCELIX-UHFFFAOYSA-N 1 2 370.403 2.987 20 30 FFEDLO CCC(CC)C(=O)N1CC[NH+](CCOc2ccc(C#N)cc2OC)CC1 ZINC000610132254 520552834 /nfs/dbraw/zinc/55/28/34/520552834.db2.gz HXKXASRAJJCYFH-UHFFFAOYSA-N 1 2 359.470 2.526 20 30 FFEDLO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595617550 520596801 /nfs/dbraw/zinc/59/68/01/520596801.db2.gz WVNMWZHBZFEIPY-UKRRQHHQSA-N 1 2 358.442 2.606 20 30 FFEDLO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595617550 520596810 /nfs/dbraw/zinc/59/68/10/520596810.db2.gz WVNMWZHBZFEIPY-UKRRQHHQSA-N 1 2 358.442 2.606 20 30 FFEDLO C[C@]1(C#N)CCN(C(=O)C2CCN(c3ccc4cccc(O)c4[nH+]3)CC2)C1 ZINC000598416911 520604880 /nfs/dbraw/zinc/60/48/80/520604880.db2.gz FGEORSWADQTXCN-OAQYLSRUSA-N 1 2 364.449 2.919 20 30 FFEDLO Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCN(c3ccsc3C#N)CC2)cc1 ZINC000595631630 520607446 /nfs/dbraw/zinc/60/74/46/520607446.db2.gz GCUQQKLROFTESZ-INIZCTEOSA-N 1 2 368.506 2.755 20 30 FFEDLO N#Cc1sccc1N1CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000595633087 520608972 /nfs/dbraw/zinc/60/89/72/520608972.db2.gz LPEPQQBIDWHCMQ-IAGOWNOFSA-N 1 2 372.538 2.923 20 30 FFEDLO C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632672 520609780 /nfs/dbraw/zinc/60/97/80/520609780.db2.gz OSSQTNDZZCZBNS-OAHLLOKOSA-N 1 2 360.527 2.827 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000610371939 520654303 /nfs/dbraw/zinc/65/43/03/520654303.db2.gz HVBRGZLOIYNQQM-FPOVZHCZSA-N 1 2 352.434 2.566 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000610371939 520654310 /nfs/dbraw/zinc/65/43/10/520654310.db2.gz HVBRGZLOIYNQQM-FPOVZHCZSA-N 1 2 352.434 2.566 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000610390829 520660885 /nfs/dbraw/zinc/66/08/85/520660885.db2.gz VTZFQJVMQPNHOW-OAHLLOKOSA-N 1 2 355.467 2.774 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000610390829 520660894 /nfs/dbraw/zinc/66/08/94/520660894.db2.gz VTZFQJVMQPNHOW-OAHLLOKOSA-N 1 2 355.467 2.774 20 30 FFEDLO Cc1cnc([C@@H](C)[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cn1 ZINC000595731849 520680550 /nfs/dbraw/zinc/68/05/50/520680550.db2.gz IBVLEUDCCWLYKG-MRXNPFEDSA-N 1 2 373.464 2.930 20 30 FFEDLO COc1cc(N2CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)ccc1F ZINC000593031423 520694960 /nfs/dbraw/zinc/69/49/60/520694960.db2.gz WOAUMDUCNPOIJQ-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO Cc1ccccc1S(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000610469670 520702882 /nfs/dbraw/zinc/70/28/82/520702882.db2.gz FUPSEURQQOLHAS-UHFFFAOYSA-N 1 2 369.490 2.763 20 30 FFEDLO Cc1ccccc1S(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000610469670 520702889 /nfs/dbraw/zinc/70/28/89/520702889.db2.gz FUPSEURQQOLHAS-UHFFFAOYSA-N 1 2 369.490 2.763 20 30 FFEDLO C=CC[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N(CCC)[C@H]2c2c[nH+]cn2C)C1 ZINC000617780526 520715543 /nfs/dbraw/zinc/71/55/43/520715543.db2.gz WQTLTNRXOQYUAD-SQGPQFPESA-N 1 2 372.513 2.925 20 30 FFEDLO CC[C@@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1nnc2n1CCCCC2 ZINC000595805356 520736940 /nfs/dbraw/zinc/73/69/40/520736940.db2.gz PMIWHYSCBZWKFV-OAHLLOKOSA-N 1 2 370.457 2.765 20 30 FFEDLO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CC[C@@](C)(C#N)C2)cc1OC ZINC000595842178 520759903 /nfs/dbraw/zinc/75/99/03/520759903.db2.gz YJBZEFJFDLWMGR-UZLBHIALSA-N 1 2 357.454 2.603 20 30 FFEDLO COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CC[C@@](C)(C#N)C2)cc1OC ZINC000595842178 520759906 /nfs/dbraw/zinc/75/99/06/520759906.db2.gz YJBZEFJFDLWMGR-UZLBHIALSA-N 1 2 357.454 2.603 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCc1cccc(Br)c1 ZINC000593154309 520785195 /nfs/dbraw/zinc/78/51/95/520785195.db2.gz GENGAMYXUJHEAJ-MRXNPFEDSA-N 1 2 352.276 2.732 20 30 FFEDLO CC(C)Oc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc1Br ZINC000593153456 520785263 /nfs/dbraw/zinc/78/52/63/520785263.db2.gz ROJNGEOKNLIYGG-MRXNPFEDSA-N 1 2 368.275 2.810 20 30 FFEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2cc(C#N)ncn2)CC1 ZINC000617936144 520792553 /nfs/dbraw/zinc/79/25/53/520792553.db2.gz XYJRSLZJLIMKNE-ZDUSSCGKSA-N 1 2 350.451 2.841 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593169436 520794422 /nfs/dbraw/zinc/79/44/22/520794422.db2.gz XCSIUWHXNTUPEP-LLVKDONJSA-N 1 2 361.243 2.957 20 30 FFEDLO N#Cc1cc2cccnc2nc1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000596053510 520882009 /nfs/dbraw/zinc/88/20/09/520882009.db2.gz HOCSZBJCCIMQRO-IBGZPJMESA-N 1 2 359.433 2.814 20 30 FFEDLO N#Cc1cc2cccnc2nc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000596053510 520882020 /nfs/dbraw/zinc/88/20/20/520882020.db2.gz HOCSZBJCCIMQRO-IBGZPJMESA-N 1 2 359.433 2.814 20 30 FFEDLO N#CCCCCNc1nc[nH+]c(NCCCCC#N)c1Br ZINC000596108650 520918612 /nfs/dbraw/zinc/91/86/12/520918612.db2.gz WOYVZHKCWVZUFX-UHFFFAOYSA-N 1 2 351.252 2.873 20 30 FFEDLO N#Cc1ccc(SCC(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)cc1 ZINC000601728021 520921191 /nfs/dbraw/zinc/92/11/91/520921191.db2.gz LFLHWNZFZQBDIE-UHFFFAOYSA-N 1 2 367.474 2.700 20 30 FFEDLO COCC1=CCN(c2cc(C)[nH+]c(N3CC=C(COC)CC3)c2C#N)CC1 ZINC000596197295 520964577 /nfs/dbraw/zinc/96/45/77/520964577.db2.gz WTHCAYLYMAWBJN-UHFFFAOYSA-N 1 2 368.481 2.828 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000611089803 520979123 /nfs/dbraw/zinc/97/91/23/520979123.db2.gz XMVGAPNEDRSPEO-LJQANCHMSA-N 1 2 356.447 2.875 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000611089803 520979135 /nfs/dbraw/zinc/97/91/35/520979135.db2.gz XMVGAPNEDRSPEO-LJQANCHMSA-N 1 2 356.447 2.875 20 30 FFEDLO N#CC[C@]1(O)CCN(c2nc(NCc3ccccc3)c3ccccc3[nH+]2)C1 ZINC000596288114 521010191 /nfs/dbraw/zinc/01/01/91/521010191.db2.gz AIRMRSYISKEWKQ-NRFANRHFSA-N 1 2 359.433 2.519 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611180478 521026082 /nfs/dbraw/zinc/02/60/82/521026082.db2.gz YAONWPIEENQAQQ-CQSZACIVSA-N 1 2 368.428 2.539 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611180478 521026091 /nfs/dbraw/zinc/02/60/91/521026091.db2.gz YAONWPIEENQAQQ-CQSZACIVSA-N 1 2 368.428 2.539 20 30 FFEDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccsc1C#N ZINC000593547980 521067010 /nfs/dbraw/zinc/06/70/10/521067010.db2.gz JZKKYMUBYNUZDW-AWEZNQCLSA-N 1 2 361.492 2.515 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccsc1C#N ZINC000593547980 521067019 /nfs/dbraw/zinc/06/70/19/521067019.db2.gz JZKKYMUBYNUZDW-AWEZNQCLSA-N 1 2 361.492 2.515 20 30 FFEDLO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cccc(F)c3C#N)cn2)C[C@@H](C)O1 ZINC000602004075 521071747 /nfs/dbraw/zinc/07/17/47/521071747.db2.gz KOJGELBEYGQNEQ-HUUCEWRRSA-N 1 2 354.429 2.996 20 30 FFEDLO N#Cc1cnc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000599178482 521073883 /nfs/dbraw/zinc/07/38/83/521073883.db2.gz HGAVPVMKZUZICQ-UHFFFAOYSA-N 1 2 362.393 2.665 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)Nc2cc(C#N)ccc2OC)cc1 ZINC000602086454 521134823 /nfs/dbraw/zinc/13/48/23/521134823.db2.gz RLFGRGBVPYBDEL-GOSISDBHSA-N 1 2 351.406 2.788 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)Nc2cc(C#N)ccc2OC)cc1 ZINC000602086454 521134827 /nfs/dbraw/zinc/13/48/27/521134827.db2.gz RLFGRGBVPYBDEL-GOSISDBHSA-N 1 2 351.406 2.788 20 30 FFEDLO Cc1cn2ccc(C(=O)N(CCC#N)c3ccc4c(c3)OCCO4)cc2[nH+]1 ZINC000602091635 521136261 /nfs/dbraw/zinc/13/62/61/521136261.db2.gz MMKUCRHXQQKLSH-UHFFFAOYSA-N 1 2 362.389 2.974 20 30 FFEDLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599304797 521139408 /nfs/dbraw/zinc/13/94/08/521139408.db2.gz PEVQDUMGZQJAKX-LLVKDONJSA-N 1 2 363.405 2.665 20 30 FFEDLO C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599304797 521139415 /nfs/dbraw/zinc/13/94/15/521139415.db2.gz PEVQDUMGZQJAKX-LLVKDONJSA-N 1 2 363.405 2.665 20 30 FFEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000614924723 521194389 /nfs/dbraw/zinc/19/43/89/521194389.db2.gz LCNBEVVCKKHPBZ-WBMJQRKESA-N 1 2 355.360 2.929 20 30 FFEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000614924723 521194395 /nfs/dbraw/zinc/19/43/95/521194395.db2.gz LCNBEVVCKKHPBZ-WBMJQRKESA-N 1 2 355.360 2.929 20 30 FFEDLO N#CC1(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000596675217 521208201 /nfs/dbraw/zinc/20/82/01/521208201.db2.gz QQGOEBKHSHHCBQ-IBGZPJMESA-N 1 2 355.482 2.868 20 30 FFEDLO N#CC1(CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000596675217 521208205 /nfs/dbraw/zinc/20/82/05/521208205.db2.gz QQGOEBKHSHHCBQ-IBGZPJMESA-N 1 2 355.482 2.868 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccncc3Br)C2)nc1 ZINC000599430112 521218137 /nfs/dbraw/zinc/21/81/37/521218137.db2.gz WSPMMUKZKSOTFN-AWEZNQCLSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccncc3Br)C2)nc1 ZINC000599430112 521218144 /nfs/dbraw/zinc/21/81/44/521218144.db2.gz WSPMMUKZKSOTFN-AWEZNQCLSA-N 1 2 359.227 2.764 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000594057023 521375892 /nfs/dbraw/zinc/37/58/92/521375892.db2.gz XWQOMQXEYIPNLI-RIFZZMRRSA-N 1 2 354.454 2.991 20 30 FFEDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000599702319 521415161 /nfs/dbraw/zinc/41/51/61/521415161.db2.gz LQVAMKBNEBNCFQ-IBGZPJMESA-N 1 2 370.497 2.541 20 30 FFEDLO CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000599702319 521415164 /nfs/dbraw/zinc/41/51/64/521415164.db2.gz LQVAMKBNEBNCFQ-IBGZPJMESA-N 1 2 370.497 2.541 20 30 FFEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000599736082 521437758 /nfs/dbraw/zinc/43/77/58/521437758.db2.gz DJZQKLCFJVKZIF-KRWDZBQOSA-N 1 2 366.421 2.803 20 30 FFEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000599736082 521437765 /nfs/dbraw/zinc/43/77/65/521437765.db2.gz DJZQKLCFJVKZIF-KRWDZBQOSA-N 1 2 366.421 2.803 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](Cc3cc4c(cn3)OCCO4)CC2)c(F)c1 ZINC000602654317 521461555 /nfs/dbraw/zinc/46/15/55/521461555.db2.gz LCYLDIPZBPGVNP-UHFFFAOYSA-N 1 2 369.396 2.907 20 30 FFEDLO COc1cc(C[NH+]2CCN(CCC#N)CC2)ccc1OCC(F)(F)F ZINC000602748639 521513919 /nfs/dbraw/zinc/51/39/19/521513919.db2.gz ORJDGDSJSKJCKR-UHFFFAOYSA-N 1 2 357.376 2.668 20 30 FFEDLO COC(=O)c1coc([C@@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000602763576 521518895 /nfs/dbraw/zinc/51/88/95/521518895.db2.gz QAIRQHINPCDIRD-CQSZACIVSA-N 1 2 354.410 2.606 20 30 FFEDLO COC(=O)c1coc([C@@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000602763576 521518904 /nfs/dbraw/zinc/51/89/04/521518904.db2.gz QAIRQHINPCDIRD-CQSZACIVSA-N 1 2 354.410 2.606 20 30 FFEDLO CCOC(=O)c1ncc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000602767959 521521561 /nfs/dbraw/zinc/52/15/61/521521561.db2.gz PIKYYEJDQYRZIJ-UHFFFAOYSA-N 1 2 370.478 2.509 20 30 FFEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3nc(CC4CC4)no3)CC2)c1 ZINC000602790434 521534108 /nfs/dbraw/zinc/53/41/08/521534108.db2.gz FNXDTHOOURGUEG-UHFFFAOYSA-N 1 2 365.437 2.744 20 30 FFEDLO CCc1ncc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cn1 ZINC000597203658 521573896 /nfs/dbraw/zinc/57/38/96/521573896.db2.gz UOSKXGDKSSQDHL-UHFFFAOYSA-N 1 2 373.464 2.623 20 30 FFEDLO N#Cc1ccc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000619768267 521860549 /nfs/dbraw/zinc/86/05/49/521860549.db2.gz MHHAGTVGBJOGAT-UHFFFAOYSA-N 1 2 355.829 2.638 20 30 FFEDLO C=CC[C@H]1CCN(C(=O)NC[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)C1 ZINC000623420752 522010169 /nfs/dbraw/zinc/01/01/69/522010169.db2.gz NXIFQJPQZHDADJ-ICSRJNTNSA-N 1 2 357.498 2.976 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CCc3[nH]c[nH+]c3C23CCOCC3)cc1 ZINC000633526330 522803189 /nfs/dbraw/zinc/80/31/89/522803189.db2.gz OUFZHEDEKGUPHE-UHFFFAOYSA-N 1 2 353.422 2.679 20 30 FFEDLO C=CC(C)(C)CCNC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000627687673 523018352 /nfs/dbraw/zinc/01/83/52/523018352.db2.gz UASXADARUKAFAX-MRXNPFEDSA-N 1 2 373.497 2.737 20 30 FFEDLO C=CCCCCCN(C)C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000624942538 523044864 /nfs/dbraw/zinc/04/48/64/523044864.db2.gz WHRBAVVGCJXVFA-IBGZPJMESA-N 1 2 360.502 2.670 20 30 FFEDLO C=CCCCCCN(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000624942538 523044871 /nfs/dbraw/zinc/04/48/71/523044871.db2.gz WHRBAVVGCJXVFA-IBGZPJMESA-N 1 2 360.502 2.670 20 30 FFEDLO C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000624982710 523078157 /nfs/dbraw/zinc/07/81/57/523078157.db2.gz PMGSVJIHRPNWOR-IAGOWNOFSA-N 1 2 368.485 2.816 20 30 FFEDLO N#Cc1cc(NCc2cc[nH+]c(N3CCOCC3)c2)ncc1Br ZINC000603271455 553748960 /nfs/dbraw/zinc/74/89/60/553748960.db2.gz NTALKKWSKJQGGG-UHFFFAOYSA-N 1 2 374.242 2.559 20 30 FFEDLO N#Cc1cccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164667367 719494223 /nfs/dbraw/zinc/49/42/23/719494223.db2.gz KRYASXQAFDANRT-UHFFFAOYSA-N 1 2 366.440 2.964 20 30 FFEDLO N#Cc1cccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164667367 719494225 /nfs/dbraw/zinc/49/42/25/719494225.db2.gz KRYASXQAFDANRT-UHFFFAOYSA-N 1 2 366.440 2.964 20 30 FFEDLO CC(C)CSCCCON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000154284371 728800986 /nfs/dbraw/zinc/80/09/86/728800986.db2.gz ABOZTZDQFVVAQM-UHFFFAOYSA-N 1 2 365.543 2.935 20 30 FFEDLO S=C1N=NC([C@H]2CCCCO2)N1N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000743452249 735299001 /nfs/dbraw/zinc/29/90/01/735299001.db2.gz TUGRZJPMEZNEIQ-OAHLLOKOSA-N 1 2 354.439 2.876 20 30 FFEDLO C#CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000746259758 735473304 /nfs/dbraw/zinc/47/33/04/735473304.db2.gz PAIVAGNKSBOQLC-HNNXBMFYSA-N 1 2 374.238 2.631 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC000746480559 735486682 /nfs/dbraw/zinc/48/66/82/735486682.db2.gz LLKONCSUDJPEDN-UHFFFAOYSA-N 1 2 351.491 2.544 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC000746480559 735486684 /nfs/dbraw/zinc/48/66/84/735486684.db2.gz LLKONCSUDJPEDN-UHFFFAOYSA-N 1 2 351.491 2.544 20 30 FFEDLO Cc1ccc(S(=O)(=O)CCCO[NH+]=C(N)c2ccc(F)c(C)c2)cc1 ZINC000091596166 728460546 /nfs/dbraw/zinc/46/05/46/728460546.db2.gz FOWFUDYEXHNAPK-UHFFFAOYSA-N 1 2 364.442 2.943 20 30 FFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000129328428 728711137 /nfs/dbraw/zinc/71/11/37/728711137.db2.gz RRKWJAFZIKZWSG-OAHLLOKOSA-N 1 2 355.463 2.904 20 30 FFEDLO C#CC[NH+]1CCN(Cn2nc(-c3cccs3)n(CC=C)c2=S)CC1 ZINC000151747403 728746690 /nfs/dbraw/zinc/74/66/90/728746690.db2.gz JXLWCIRSTNMSID-UHFFFAOYSA-N 1 2 359.524 2.537 20 30 FFEDLO Cc1ccc(S(=O)(=O)N2CC[NH+](CC(C)(C)CCC#N)CC2)cc1C ZINC000179541674 729188291 /nfs/dbraw/zinc/18/82/91/729188291.db2.gz KSHQXKXWCDQDSO-UHFFFAOYSA-N 1 2 363.527 2.940 20 30 FFEDLO C#CCCCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000245767955 729575600 /nfs/dbraw/zinc/57/56/00/729575600.db2.gz RRFPOKLEYYCKBV-MSOLQXFVSA-N 1 2 363.889 2.814 20 30 FFEDLO C#CCCCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000245767955 729575602 /nfs/dbraw/zinc/57/56/02/729575602.db2.gz RRFPOKLEYYCKBV-MSOLQXFVSA-N 1 2 363.889 2.814 20 30 FFEDLO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000859445001 730455081 /nfs/dbraw/zinc/45/50/81/730455081.db2.gz IDGWSFZLTRWHDF-GFCCVEGCSA-N 1 2 358.410 2.519 20 30 FFEDLO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000859445001 730455082 /nfs/dbraw/zinc/45/50/82/730455082.db2.gz IDGWSFZLTRWHDF-GFCCVEGCSA-N 1 2 358.410 2.519 20 30 FFEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000859556031 730458729 /nfs/dbraw/zinc/45/87/29/730458729.db2.gz CKAPSZYOCHHIOF-CABCVRRESA-N 1 2 359.388 2.813 20 30 FFEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000866001817 731020456 /nfs/dbraw/zinc/02/04/56/731020456.db2.gz IFWUHSMJNPHGCR-JSGCOSHPSA-N 1 2 370.881 2.671 20 30 FFEDLO C=CCOCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660968504 732158512 /nfs/dbraw/zinc/15/85/12/732158512.db2.gz PIBPKTDINFKDKS-IAGOWNOFSA-N 1 2 353.413 2.602 20 30 FFEDLO C=CCOCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660968504 732158514 /nfs/dbraw/zinc/15/85/14/732158514.db2.gz PIBPKTDINFKDKS-IAGOWNOFSA-N 1 2 353.413 2.602 20 30 FFEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)nn3)CC2)c1 ZINC000876659201 732266693 /nfs/dbraw/zinc/26/66/93/732266693.db2.gz QRMMNGINVUTENE-UHFFFAOYSA-N 1 2 355.829 2.852 20 30 FFEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCN(Cc3ccc(Br)cc3)C(=O)C2)C1 ZINC000879101236 732645852 /nfs/dbraw/zinc/64/58/52/732645852.db2.gz FYEZUEFYESXWQM-GDBMZVCRSA-N 1 2 362.271 2.786 20 30 FFEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCN(Cc3ccc(Br)cc3)C(=O)C2)C1 ZINC000879101236 732645855 /nfs/dbraw/zinc/64/58/55/732645855.db2.gz FYEZUEFYESXWQM-GDBMZVCRSA-N 1 2 362.271 2.786 20 30 FFEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2nc3c(cccc3OC)s2)CC1 ZINC000886774154 733831112 /nfs/dbraw/zinc/83/11/12/733831112.db2.gz IWSZDDARBHWKTG-UHFFFAOYSA-N 1 2 361.467 2.646 20 30 FFEDLO C[C@H]1C[C@H](C)CN(C(=O)CO[NH+]=C(N)c2ccc(Br)cc2)C1 ZINC000782948158 738767149 /nfs/dbraw/zinc/76/71/49/738767149.db2.gz HUTSDHDPJCWGJD-RYUDHWBXSA-N 1 2 368.275 2.591 20 30 FFEDLO C[NH+](C)Cc1csc(CNC(=O)CSCc2ccc(C#N)cc2)n1 ZINC000927771150 738781577 /nfs/dbraw/zinc/78/15/77/738781577.db2.gz FSLIVWGXZPJXJG-UHFFFAOYSA-N 1 2 360.508 2.626 20 30 FFEDLO O=S1(=O)CCC(=NNc2cc[nH+]c3ccccc23)c2cc(F)ccc21 ZINC000730146820 734617871 /nfs/dbraw/zinc/61/78/71/734617871.db2.gz GUTZNOCRGVDQPR-UHFFFAOYSA-N 1 2 355.394 2.789 20 30 FFEDLO COCC[N@H+](Cc1c2c(nn1C)CCSC2)Cc1ccc(C#N)cc1 ZINC000893957534 734777803 /nfs/dbraw/zinc/77/78/03/734777803.db2.gz FRSYXNRUMGTLOW-UHFFFAOYSA-N 1 2 356.495 2.730 20 30 FFEDLO COCC[N@@H+](Cc1c2c(nn1C)CCSC2)Cc1ccc(C#N)cc1 ZINC000893957534 734777807 /nfs/dbraw/zinc/77/78/07/734777807.db2.gz FRSYXNRUMGTLOW-UHFFFAOYSA-N 1 2 356.495 2.730 20 30 FFEDLO C#CC1(O)CC[NH+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000895385170 734998546 /nfs/dbraw/zinc/99/85/46/734998546.db2.gz ZEDNVRSLBXEVSJ-UHFFFAOYSA-N 1 2 351.237 2.534 20 30 FFEDLO C[NH+](C)Cc1csc(CNc2ncc(C#N)cc2Br)n1 ZINC000895479276 735012694 /nfs/dbraw/zinc/01/26/94/735012694.db2.gz OVVYCFQHPSORGG-UHFFFAOYSA-N 1 2 352.261 2.846 20 30 FFEDLO NC(=[NH+]OCc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(F)cc1 ZINC000747827331 735594721 /nfs/dbraw/zinc/59/47/21/735594721.db2.gz MVSIFXDKOYMWGU-UHFFFAOYSA-N 1 2 358.341 2.659 20 30 FFEDLO N#Cc1cccn(C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)c1=O ZINC000788365567 739237702 /nfs/dbraw/zinc/23/77/02/739237702.db2.gz IYVJEMJPIDZIGQ-UHFFFAOYSA-N 1 2 358.829 2.517 20 30 FFEDLO CCCCCCCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000754840466 736207325 /nfs/dbraw/zinc/20/73/25/736207325.db2.gz CDCMESQLRZZXLT-GOSISDBHSA-N 1 2 357.564 2.854 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759041060 736542640 /nfs/dbraw/zinc/54/26/40/736542640.db2.gz QFGDDKJQEQSYNF-QGZVFWFLSA-N 1 2 360.820 2.601 20 30 FFEDLO C=C(C)CNC(=S)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000765519927 737127954 /nfs/dbraw/zinc/12/79/54/737127954.db2.gz JOMCHSFJSNPOID-CVEARBPZSA-N 1 2 353.919 2.752 20 30 FFEDLO C=C(C)CNC(=S)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000765519927 737127960 /nfs/dbraw/zinc/12/79/60/737127960.db2.gz JOMCHSFJSNPOID-CVEARBPZSA-N 1 2 353.919 2.752 20 30 FFEDLO C=C(C)CNC(=S)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000765519934 737128256 /nfs/dbraw/zinc/12/82/56/737128256.db2.gz JOMCHSFJSNPOID-HOTGVXAUSA-N 1 2 353.919 2.752 20 30 FFEDLO C=C(C)CNC(=S)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000765519934 737128260 /nfs/dbraw/zinc/12/82/60/737128260.db2.gz JOMCHSFJSNPOID-HOTGVXAUSA-N 1 2 353.919 2.752 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000767697798 737356493 /nfs/dbraw/zinc/35/64/93/737356493.db2.gz WOIXGRCIXGFDCS-HNNXBMFYSA-N 1 2 350.484 2.538 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=S)Nc1ccccc1C#N ZINC000769787342 737566299 /nfs/dbraw/zinc/56/62/99/737566299.db2.gz JUFATMONVKLJMG-UHFFFAOYSA-N 1 2 353.451 2.907 20 30 FFEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc(Br)cc2)CC1 ZINC000772109719 737787234 /nfs/dbraw/zinc/78/72/34/737787234.db2.gz HUJGDMZGRURHCB-UHFFFAOYSA-N 1 2 364.239 2.520 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000785756724 738995777 /nfs/dbraw/zinc/99/57/77/738995777.db2.gz CGPGPFWQXIOGBT-SFHVURJKSA-N 1 2 350.484 2.538 20 30 FFEDLO C[NH+]1CCN(c2ccc(Nc3cnc(C#N)cn3)cc2Br)CC1 ZINC000786826120 739080194 /nfs/dbraw/zinc/08/01/94/739080194.db2.gz APRPRTPLKLOARX-UHFFFAOYSA-N 1 2 373.258 2.606 20 30 FFEDLO COCC[N@H+](Cc1cc(Br)nn1C)Cc1ccc(C#N)cc1 ZINC000787097425 739104244 /nfs/dbraw/zinc/10/42/44/739104244.db2.gz DWRASKLSOFLPRH-UHFFFAOYSA-N 1 2 363.259 2.703 20 30 FFEDLO COCC[N@@H+](Cc1cc(Br)nn1C)Cc1ccc(C#N)cc1 ZINC000787097425 739104246 /nfs/dbraw/zinc/10/42/46/739104246.db2.gz DWRASKLSOFLPRH-UHFFFAOYSA-N 1 2 363.259 2.703 20 30 FFEDLO CS(=O)(=O)[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)C[C@H]1C(F)(F)F ZINC000930928279 739186787 /nfs/dbraw/zinc/18/67/87/739186787.db2.gz OSKXMKQSEVHWPG-CHWSQXEVSA-N 1 2 352.422 2.758 20 30 FFEDLO CS(=O)(=O)[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@H]1C(F)(F)F ZINC000930928279 739186792 /nfs/dbraw/zinc/18/67/92/739186792.db2.gz OSKXMKQSEVHWPG-CHWSQXEVSA-N 1 2 352.422 2.758 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc(Cl)cc(OC)c2O)n1 ZINC000789760991 739385365 /nfs/dbraw/zinc/38/53/65/739385365.db2.gz SWOGQHNLYGIUNR-UHFFFAOYSA-N 1 2 363.845 2.533 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc(Cl)cc(OC)c2O)n1 ZINC000789760991 739385368 /nfs/dbraw/zinc/38/53/68/739385368.db2.gz SWOGQHNLYGIUNR-UHFFFAOYSA-N 1 2 363.845 2.533 20 30 FFEDLO C=CCC1(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCC1 ZINC000791559074 739579574 /nfs/dbraw/zinc/57/95/74/739579574.db2.gz VFSNQMLYXMORAA-UHFFFAOYSA-N 1 2 362.495 2.682 20 30 FFEDLO C[NH+](C)Cc1cnc(C=CC(=O)c2ccc(N3CCNC3=O)cc2)s1 ZINC000794711255 739922575 /nfs/dbraw/zinc/92/25/75/739922575.db2.gz BPYKJUUPIBTQFH-FPLPWBNLSA-N 1 2 356.451 2.630 20 30 FFEDLO O=C(N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21)[C@@H]1C[C@H]1C1CC1 ZINC000962001783 740641321 /nfs/dbraw/zinc/64/13/21/740641321.db2.gz MXLBUFVZKAEOOZ-NMDDUFOESA-N 1 2 354.881 2.784 20 30 FFEDLO O=C(N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21)[C@@H]1C[C@H]1C1CC1 ZINC000962001783 740641324 /nfs/dbraw/zinc/64/13/24/740641324.db2.gz MXLBUFVZKAEOOZ-NMDDUFOESA-N 1 2 354.881 2.784 20 30 FFEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC000970131721 740743710 /nfs/dbraw/zinc/74/37/10/740743710.db2.gz QMLVRNDHDGTPKD-VHFSOBRXSA-N 1 2 360.885 2.916 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC000978165038 741084794 /nfs/dbraw/zinc/08/47/94/741084794.db2.gz HEHACMMOMDTYJQ-NAIBJICWSA-N 1 2 359.297 2.581 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC000978165038 741084798 /nfs/dbraw/zinc/08/47/98/741084798.db2.gz HEHACMMOMDTYJQ-NAIBJICWSA-N 1 2 359.297 2.581 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](C/C(Cl)=C\Cl)C2 ZINC000982023394 741187074 /nfs/dbraw/zinc/18/70/74/741187074.db2.gz DIVRZDJTFJINLK-RBBJQHAHSA-N 1 2 359.297 2.821 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](C/C(Cl)=C\Cl)C2 ZINC000982023394 741187076 /nfs/dbraw/zinc/18/70/76/741187076.db2.gz DIVRZDJTFJINLK-RBBJQHAHSA-N 1 2 359.297 2.821 20 30 FFEDLO C#CCCS(=O)(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000808305331 741209226 /nfs/dbraw/zinc/20/92/26/741209226.db2.gz PJTIVDYWYWICHY-JKSUJKDBSA-N 1 2 358.866 2.557 20 30 FFEDLO C#CCCS(=O)(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000808305331 741209231 /nfs/dbraw/zinc/20/92/31/741209231.db2.gz PJTIVDYWYWICHY-JKSUJKDBSA-N 1 2 358.866 2.557 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@H](C)c2ncc(Br)cn2)cc1 ZINC000809377381 741303211 /nfs/dbraw/zinc/30/32/11/741303211.db2.gz GQZUBUPCCJSWRM-SECBINFHSA-N 1 2 351.204 2.646 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1cscn1)CC2 ZINC000990734151 741727385 /nfs/dbraw/zinc/72/73/85/741727385.db2.gz ABTQJELNTNKFDR-SFNKJDCFSA-N 1 2 361.511 2.738 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1cscn1)CC2 ZINC000990734151 741727392 /nfs/dbraw/zinc/72/73/92/741727392.db2.gz ABTQJELNTNKFDR-SFNKJDCFSA-N 1 2 361.511 2.738 20 30 FFEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@H]2OCC[C@H]2C(C)C)CC1 ZINC001000686338 742093547 /nfs/dbraw/zinc/09/35/47/742093547.db2.gz IYTUVTUOGIGIAH-HOTGVXAUSA-N 1 2 371.319 2.704 20 30 FFEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@H]2OCC[C@H]2C(C)C)CC1 ZINC001000686338 742093552 /nfs/dbraw/zinc/09/35/52/742093552.db2.gz IYTUVTUOGIGIAH-HOTGVXAUSA-N 1 2 371.319 2.704 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2csc(CC)n2)CC1 ZINC001001171540 742110160 /nfs/dbraw/zinc/11/01/60/742110160.db2.gz NWJMNJNPGDPKDM-SJORKVTESA-N 1 2 361.511 2.545 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2csc(CC)n2)CC1 ZINC001001171540 742110161 /nfs/dbraw/zinc/11/01/61/742110161.db2.gz NWJMNJNPGDPKDM-SJORKVTESA-N 1 2 361.511 2.545 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCS3)n2Cc2cccs2)CC1 ZINC000818424338 742270549 /nfs/dbraw/zinc/27/05/49/742270549.db2.gz NOKKFIZPDXDRAP-INIZCTEOSA-N 1 2 373.551 2.711 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001008575247 742383600 /nfs/dbraw/zinc/38/36/00/742383600.db2.gz MCUVAXIGXUWWPR-MNEFBYGVSA-N 1 2 360.885 2.697 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001008575247 742383606 /nfs/dbraw/zinc/38/36/06/742383606.db2.gz MCUVAXIGXUWWPR-MNEFBYGVSA-N 1 2 360.885 2.697 20 30 FFEDLO C#C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)c1ccc(Br)cc1 ZINC000820610347 742524508 /nfs/dbraw/zinc/52/45/08/742524508.db2.gz BKUKMSWMPCMBCH-HNNXBMFYSA-N 1 2 359.227 2.545 20 30 FFEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001024707826 742735358 /nfs/dbraw/zinc/73/53/58/742735358.db2.gz QSMRNAJXHSTSFE-JYJNAYRXSA-N 1 2 371.319 2.847 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001024707826 742735360 /nfs/dbraw/zinc/73/53/60/742735360.db2.gz QSMRNAJXHSTSFE-JYJNAYRXSA-N 1 2 371.319 2.847 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ncc(C)s2)C1 ZINC001027613608 742776994 /nfs/dbraw/zinc/77/69/94/742776994.db2.gz ZOEVOPPVZBHSBK-BQFCYCMXSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ncc(C)s2)C1 ZINC001027613608 742776999 /nfs/dbraw/zinc/77/69/99/742776999.db2.gz ZOEVOPPVZBHSBK-BQFCYCMXSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001031076973 742838432 /nfs/dbraw/zinc/83/84/32/742838432.db2.gz DOVWVHGWHZRNAF-QEJZJMRPSA-N 1 2 361.313 2.742 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001031740199 742845431 /nfs/dbraw/zinc/84/54/31/742845431.db2.gz SUSIVGTYVOOTMP-MJGOQNOKSA-N 1 2 360.885 2.555 20 30 FFEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001034318491 742920170 /nfs/dbraw/zinc/92/01/70/742920170.db2.gz YFBJTSWXRJPMDA-KFWWJZLASA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001034318491 742920176 /nfs/dbraw/zinc/92/01/76/742920176.db2.gz YFBJTSWXRJPMDA-KFWWJZLASA-N 1 2 359.308 2.681 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2cccnc2)s1 ZINC001038726664 742982285 /nfs/dbraw/zinc/98/22/85/742982285.db2.gz WMXFIYYEBLKCNO-JCGIZDLHSA-N 1 2 352.463 2.509 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2cccnc2)s1 ZINC001038726664 742982292 /nfs/dbraw/zinc/98/22/92/742982292.db2.gz WMXFIYYEBLKCNO-JCGIZDLHSA-N 1 2 352.463 2.509 20 30 FFEDLO CN(CCc1cccc(C#N)c1)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000825028958 743197911 /nfs/dbraw/zinc/19/79/11/743197911.db2.gz SHYRODFVFHXODE-OAHLLOKOSA-N 1 2 350.344 2.949 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001046641028 743336048 /nfs/dbraw/zinc/33/60/48/743336048.db2.gz PCOHNHDBWSMGGD-UXLLHSPISA-N 1 2 364.287 2.674 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001046641028 743336056 /nfs/dbraw/zinc/33/60/56/743336056.db2.gz PCOHNHDBWSMGGD-UXLLHSPISA-N 1 2 364.287 2.674 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(=C)Br ZINC001049734372 743483824 /nfs/dbraw/zinc/48/38/24/743483824.db2.gz DGXBOJQIKCTZPZ-WCVJEAGWSA-N 1 2 369.303 2.551 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(=C)Br ZINC001049734372 743483829 /nfs/dbraw/zinc/48/38/29/743483829.db2.gz DGXBOJQIKCTZPZ-WCVJEAGWSA-N 1 2 369.303 2.551 20 30 FFEDLO C#CC[N@@H+](CC[S@@](C)=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000827813089 744982624 /nfs/dbraw/zinc/98/26/24/744982624.db2.gz KJKGGBZYBXHKDQ-VBKZILBWSA-N 1 2 356.285 2.586 20 30 FFEDLO C#CC[N@H+](CC[S@@](C)=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000827813089 744982628 /nfs/dbraw/zinc/98/26/28/744982628.db2.gz KJKGGBZYBXHKDQ-VBKZILBWSA-N 1 2 356.285 2.586 20 30 FFEDLO C#C[C@H](NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCCO1 ZINC000836408678 746214797 /nfs/dbraw/zinc/21/47/97/746214797.db2.gz NWNHOZHRQMVKAQ-RDJZCZTQSA-N 1 2 358.829 2.506 20 30 FFEDLO Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2c[nH+]c(N(C)C)n2C)S1 ZINC000840716520 747165473 /nfs/dbraw/zinc/16/54/73/747165473.db2.gz XRAVISDJJSWJAB-ZROIWOOFSA-N 1 2 355.467 2.995 20 30 FFEDLO C[C@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)c1ncc(Br)cn1 ZINC000842036381 747506227 /nfs/dbraw/zinc/50/62/27/747506227.db2.gz XQTDAVZWKRQSRY-VIFPVBQESA-N 1 2 363.215 2.572 20 30 FFEDLO COCC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C[C@H](O)C(F)(F)F ZINC000847020669 748600415 /nfs/dbraw/zinc/60/04/15/748600415.db2.gz BFGLVADYPVKWAT-AWEZNQCLSA-N 1 2 366.767 2.614 20 30 FFEDLO COCC[N@H+](Cc1cc(Cl)ccc1OCC#N)C[C@H](O)C(F)(F)F ZINC000847020669 748600420 /nfs/dbraw/zinc/60/04/20/748600420.db2.gz BFGLVADYPVKWAT-AWEZNQCLSA-N 1 2 366.767 2.614 20 30 FFEDLO Cc1cn(C(C)(C)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c[nH+]1 ZINC000896178974 971316322 /nfs/dbraw/zinc/31/63/22/971316322.db2.gz WUSDUVVJIIEICB-UHFFFAOYSA-N 1 2 352.438 2.868 20 30 FFEDLO C[C@@H]1C[NH+](C2CN(Cc3cc(Br)ccc3C#N)C2)C[C@@H](C)O1 ZINC001141907855 971674218 /nfs/dbraw/zinc/67/42/18/971674218.db2.gz RELIJRKDSJHWTL-CHWSQXEVSA-N 1 2 364.287 2.614 20 30 FFEDLO C[N@H+](CC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc21)[C@@H]1CCSC1 ZINC000123625834 971735658 /nfs/dbraw/zinc/73/56/58/971735658.db2.gz DYKIVRZAZXPMOF-WBVHZDCISA-N 1 2 367.474 2.924 20 30 FFEDLO C[N@@H+](CC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc21)[C@@H]1CCSC1 ZINC000123625834 971735661 /nfs/dbraw/zinc/73/56/61/971735661.db2.gz DYKIVRZAZXPMOF-WBVHZDCISA-N 1 2 367.474 2.924 20 30 FFEDLO O=C1C=COC2(CCN(c3cc(NCc4ccccc4)[nH+]cn3)CC2)C1 ZINC000896881926 971989687 /nfs/dbraw/zinc/98/96/87/971989687.db2.gz HLOHTLOYFOWLIQ-UHFFFAOYSA-N 1 2 350.422 2.931 20 30 FFEDLO O=C1C=COC2(CCN(c3cc(NCc4ccccc4)nc[nH+]3)CC2)C1 ZINC000896881926 971989689 /nfs/dbraw/zinc/98/96/89/971989689.db2.gz HLOHTLOYFOWLIQ-UHFFFAOYSA-N 1 2 350.422 2.931 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)c4csnn4)CC[C@@H]3C2)cc1 ZINC001088062164 972058437 /nfs/dbraw/zinc/05/84/37/972058437.db2.gz RIUBKHCABGRGGL-QGTPRVQTSA-N 1 2 366.490 2.675 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)c4csnn4)CC[C@@H]3C2)cc1 ZINC001088062164 972058442 /nfs/dbraw/zinc/05/84/42/972058442.db2.gz RIUBKHCABGRGGL-QGTPRVQTSA-N 1 2 366.490 2.675 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3CCC)CC[C@@H]2C1 ZINC001088064427 972065345 /nfs/dbraw/zinc/06/53/45/972065345.db2.gz DSUVJZJILSHKOD-SJORKVTESA-N 1 2 359.518 2.571 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3CCC)CC[C@@H]2C1 ZINC001088064427 972065351 /nfs/dbraw/zinc/06/53/51/972065351.db2.gz DSUVJZJILSHKOD-SJORKVTESA-N 1 2 359.518 2.571 20 30 FFEDLO Cc1nc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c(C#N)cc1C#N ZINC001174432971 1013206399 /nfs/dbraw/zinc/20/63/99/1013206399.db2.gz WLQVGCYZVYRVIQ-UHFFFAOYSA-N 1 2 363.421 2.588 20 30 FFEDLO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)cc(C#N)c1 ZINC001276005151 1013276127 /nfs/dbraw/zinc/27/61/27/1013276127.db2.gz MRRUDKYLSVFUIA-XOBRGWDASA-N 1 2 357.429 2.632 20 30 FFEDLO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)cc(C#N)c1 ZINC001276005151 1013276129 /nfs/dbraw/zinc/27/61/29/1013276129.db2.gz MRRUDKYLSVFUIA-XOBRGWDASA-N 1 2 357.429 2.632 20 30 FFEDLO CCc1ocnc1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001075634166 961873330 /nfs/dbraw/zinc/87/33/30/961873330.db2.gz AQKPHADSBMNZSH-DOTOQJQBSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1ocnc1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001075634166 961873352 /nfs/dbraw/zinc/87/33/52/961873352.db2.gz AQKPHADSBMNZSH-DOTOQJQBSA-N 1 2 368.412 2.594 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nn(C)c3ccccc13)C2 ZINC001095423292 1013329555 /nfs/dbraw/zinc/32/95/55/1013329555.db2.gz NAOSOIDMNLJRIY-SKDZVZGDSA-N 1 2 358.873 2.590 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nn(C)c3ccccc13)C2 ZINC001095423292 1013329564 /nfs/dbraw/zinc/32/95/64/1013329564.db2.gz NAOSOIDMNLJRIY-SKDZVZGDSA-N 1 2 358.873 2.590 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2ccc(-n3cccn3)cc2)cc1OC ZINC000124425439 1013414066 /nfs/dbraw/zinc/41/40/66/1013414066.db2.gz DJCJGOOPCJEMAG-UHFFFAOYSA-N 1 2 352.394 2.727 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12CN(C(=O)c1cc3c[nH+]ccc3[nH]1)CCO2 ZINC001151970962 1032073406 /nfs/dbraw/zinc/07/34/06/1032073406.db2.gz XZXPDXUCJBSXIU-OXQOHEQNSA-N 1 2 355.438 2.777 20 30 FFEDLO COc1ccc(F)cc1C[NH+]1CCN(c2ccc(C#N)cc2CO)CC1 ZINC000891537256 964441448 /nfs/dbraw/zinc/44/14/48/964441448.db2.gz QGUMQYYWBOMCAO-UHFFFAOYSA-N 1 2 355.413 2.520 20 30 FFEDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC001211846276 965058668 /nfs/dbraw/zinc/05/86/68/965058668.db2.gz QVWRUHSAYUROHT-ZDUSSCGKSA-N 1 2 363.508 2.878 20 30 FFEDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC001211846276 965058682 /nfs/dbraw/zinc/05/86/82/965058682.db2.gz QVWRUHSAYUROHT-ZDUSSCGKSA-N 1 2 363.508 2.878 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1F ZINC001111490188 965343190 /nfs/dbraw/zinc/34/31/90/965343190.db2.gz XFESUBWKXQFIDO-XFHKCVFHSA-N 1 2 350.409 2.777 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1F ZINC001111490188 965343199 /nfs/dbraw/zinc/34/31/99/965343199.db2.gz XFESUBWKXQFIDO-XFHKCVFHSA-N 1 2 350.409 2.777 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2occc2C)C1 ZINC001087472435 965457517 /nfs/dbraw/zinc/45/75/17/965457517.db2.gz FLMMRPCMKCOMLR-OALUTQOASA-N 1 2 352.434 2.818 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2occc2C)C1 ZINC001087472435 965457522 /nfs/dbraw/zinc/45/75/22/965457522.db2.gz FLMMRPCMKCOMLR-OALUTQOASA-N 1 2 352.434 2.818 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C2CCOCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087485474 966050913 /nfs/dbraw/zinc/05/09/13/966050913.db2.gz IIGWKJQUBWPOAB-RBUKOAKNSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C2CCOCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087485474 966050925 /nfs/dbraw/zinc/05/09/25/966050925.db2.gz IIGWKJQUBWPOAB-RBUKOAKNSA-N 1 2 359.445 2.593 20 30 FFEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C)cc2OC[C@H]2CCOC2)nn1 ZINC000657396846 966393727 /nfs/dbraw/zinc/39/37/27/966393727.db2.gz PRLJGYXNEMNHCJ-KRWDZBQOSA-N 1 2 356.470 2.868 20 30 FFEDLO COc1ccc(O)c(C=Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000588534512 966694059 /nfs/dbraw/zinc/69/40/59/966694059.db2.gz UPBTVWFQQYTNEK-UHFFFAOYSA-N 1 2 367.449 2.816 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001211551410 966696013 /nfs/dbraw/zinc/69/60/13/966696013.db2.gz NIWFCVWKSTWVIU-ZWKOTPCHSA-N 1 2 366.465 2.997 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4cc(C)c(C)cc4o3)[C@H]2C1 ZINC001083249993 966870095 /nfs/dbraw/zinc/87/00/95/966870095.db2.gz MTUYHXFCDIJRJT-FXAWDEMLSA-N 1 2 352.434 2.598 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4cc(C)c(C)cc4o3)[C@H]2C1 ZINC001083249993 966870102 /nfs/dbraw/zinc/87/01/02/966870102.db2.gz MTUYHXFCDIJRJT-FXAWDEMLSA-N 1 2 352.434 2.598 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)nc2)[C@H]1CC ZINC001087505832 967377979 /nfs/dbraw/zinc/37/79/79/967377979.db2.gz BWCBETAJAVEJLV-LSDHHAIUSA-N 1 2 352.276 2.881 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)nc2)[C@H]1CC ZINC001087505832 967377986 /nfs/dbraw/zinc/37/79/86/967377986.db2.gz BWCBETAJAVEJLV-LSDHHAIUSA-N 1 2 352.276 2.881 20 30 FFEDLO CC#CC[C@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1 ZINC000895102608 967599434 /nfs/dbraw/zinc/59/94/34/967599434.db2.gz CQCJNZVHCZJJHO-OAHLLOKOSA-N 1 2 373.478 2.700 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCOC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087526284 967670303 /nfs/dbraw/zinc/67/03/03/967670303.db2.gz KZNMYWUBCIBKAB-ZOCIIQOWSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCOC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087526284 967670312 /nfs/dbraw/zinc/67/03/12/967670312.db2.gz KZNMYWUBCIBKAB-ZOCIIQOWSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1ncc(C(C)C)o1 ZINC001087535731 967898872 /nfs/dbraw/zinc/89/88/72/967898872.db2.gz ZPCXIPMZKJEKLU-GOEBONIOSA-N 1 2 355.442 2.781 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1ncc(C(C)C)o1 ZINC001087535731 967898881 /nfs/dbraw/zinc/89/88/81/967898881.db2.gz ZPCXIPMZKJEKLU-GOEBONIOSA-N 1 2 355.442 2.781 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+](CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CC1 ZINC001267329207 967900881 /nfs/dbraw/zinc/90/08/81/967900881.db2.gz FEVRBSBRGFHECC-RYGJVYDSSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+](CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CC1 ZINC001267329207 967900892 /nfs/dbraw/zinc/90/08/92/967900892.db2.gz FEVRBSBRGFHECC-RYGJVYDSSA-N 1 2 371.456 2.593 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001211610633 967945134 /nfs/dbraw/zinc/94/51/34/967945134.db2.gz BIPXUAPOVAYYFN-ZWKOTPCHSA-N 1 2 356.495 2.979 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC001087548674 968044808 /nfs/dbraw/zinc/04/48/08/968044808.db2.gz IUORLFKXJVNUAQ-JKSUJKDBSA-N 1 2 353.426 2.535 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1ncc(C2CC2)o1 ZINC001087548674 968044815 /nfs/dbraw/zinc/04/48/15/968044815.db2.gz IUORLFKXJVNUAQ-JKSUJKDBSA-N 1 2 353.426 2.535 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2coc(C)n2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087549559 968045946 /nfs/dbraw/zinc/04/59/46/968045946.db2.gz GUDMWZVLVPRRJW-FUHWJXTLSA-N 1 2 356.401 2.777 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2coc(C)n2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087549559 968045954 /nfs/dbraw/zinc/04/59/54/968045954.db2.gz GUDMWZVLVPRRJW-FUHWJXTLSA-N 1 2 356.401 2.777 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001029402215 968178842 /nfs/dbraw/zinc/17/88/42/968178842.db2.gz NHLZWMZNYALWAC-RMJJICAUSA-N 1 2 371.456 2.688 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001029402215 968178847 /nfs/dbraw/zinc/17/88/47/968178847.db2.gz NHLZWMZNYALWAC-RMJJICAUSA-N 1 2 371.456 2.688 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccns2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001087590649 968275535 /nfs/dbraw/zinc/27/55/35/968275535.db2.gz QAWCFPSBORULQX-JKSUJKDBSA-N 1 2 358.442 2.937 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccns2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001087590649 968275545 /nfs/dbraw/zinc/27/55/45/968275545.db2.gz QAWCFPSBORULQX-JKSUJKDBSA-N 1 2 358.442 2.937 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C(F)(F)F)n(C)n2)[C@H]1CC ZINC001087585467 968294054 /nfs/dbraw/zinc/29/40/54/968294054.db2.gz IVKWUYKWEMULCJ-CMPLNLGQSA-N 1 2 364.799 2.774 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C(F)(F)F)n(C)n2)[C@H]1CC ZINC001087585467 968294064 /nfs/dbraw/zinc/29/40/64/968294064.db2.gz IVKWUYKWEMULCJ-CMPLNLGQSA-N 1 2 364.799 2.774 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3csnc3OC)[C@@H]2CC)cc1 ZINC001087682173 968592318 /nfs/dbraw/zinc/59/23/18/968592318.db2.gz JTPADXBEFCFNPN-ZWKOTPCHSA-N 1 2 369.490 2.916 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3csnc3OC)[C@@H]2CC)cc1 ZINC001087682173 968592326 /nfs/dbraw/zinc/59/23/26/968592326.db2.gz JTPADXBEFCFNPN-ZWKOTPCHSA-N 1 2 369.490 2.916 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)n3CC)[C@@H]2CC)CC1 ZINC001087713836 968702907 /nfs/dbraw/zinc/70/29/07/968702907.db2.gz NJKRIAIPVWTWCI-ZWKOTPCHSA-N 1 2 359.518 2.822 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)n3CC)[C@@H]2CC)CC1 ZINC001087713836 968702914 /nfs/dbraw/zinc/70/29/14/968702914.db2.gz NJKRIAIPVWTWCI-ZWKOTPCHSA-N 1 2 359.518 2.822 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ncoc3C(C)C)[C@@H]2CC)c1 ZINC001087718958 968718185 /nfs/dbraw/zinc/71/81/85/968718185.db2.gz SOHUWDBODGAGMC-PKOBYXMFSA-N 1 2 366.465 2.957 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ncoc3C(C)C)[C@@H]2CC)c1 ZINC001087718958 968718192 /nfs/dbraw/zinc/71/81/92/968718192.db2.gz SOHUWDBODGAGMC-PKOBYXMFSA-N 1 2 366.465 2.957 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2nccs2)[C@@H]1CC ZINC001087755329 968883591 /nfs/dbraw/zinc/88/35/91/968883591.db2.gz IQVCAFCAAIFNOB-CUSZFKRNSA-N 1 2 363.527 2.984 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nccs2)[C@@H]1CC ZINC001087755329 968883608 /nfs/dbraw/zinc/88/36/08/968883608.db2.gz IQVCAFCAAIFNOB-CUSZFKRNSA-N 1 2 363.527 2.984 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1nc(C)oc1C ZINC001024444308 968923853 /nfs/dbraw/zinc/92/38/53/968923853.db2.gz YZWPUCKLNLBQNJ-LMMKCTJWSA-N 1 2 361.486 2.743 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc(C)oc1C ZINC001024444308 968923862 /nfs/dbraw/zinc/92/38/62/968923862.db2.gz YZWPUCKLNLBQNJ-LMMKCTJWSA-N 1 2 361.486 2.743 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cncc(F)c1 ZINC001024444048 968925036 /nfs/dbraw/zinc/92/50/36/968925036.db2.gz URZNKDDRJGGDQA-OTWHNJEPSA-N 1 2 361.461 2.673 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cncc(F)c1 ZINC001024444048 968925044 /nfs/dbraw/zinc/92/50/44/968925044.db2.gz URZNKDDRJGGDQA-OTWHNJEPSA-N 1 2 361.461 2.673 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc(C)c(C)o1 ZINC001024707305 969267694 /nfs/dbraw/zinc/26/76/94/969267694.db2.gz KBWYXNYIGFLHJR-AOIWGVFYSA-N 1 2 361.486 2.743 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1nc(C)c(C)o1 ZINC001024707305 969267702 /nfs/dbraw/zinc/26/77/02/969267702.db2.gz KBWYXNYIGFLHJR-AOIWGVFYSA-N 1 2 361.486 2.743 20 30 FFEDLO C[C@@H](O[NH+]=C(N)Cc1cccnc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000137638824 970660245 /nfs/dbraw/zinc/66/02/45/970660245.db2.gz WOVJNJJBZCHECU-LLVKDONJSA-N 1 2 366.343 2.959 20 30 FFEDLO C=C(C)[C@@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)c(F)c1 ZINC000661036825 973434459 /nfs/dbraw/zinc/43/44/59/973434459.db2.gz NBIBHJOCBSTSME-CRAIPNDOSA-N 1 2 365.424 2.698 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)[C@H](C)COC ZINC000661243697 973978611 /nfs/dbraw/zinc/97/86/11/973978611.db2.gz LVVRVLDUCDXGIX-CQSZACIVSA-N 1 2 357.458 2.550 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)[C@H](C)COC ZINC000661243697 973978621 /nfs/dbraw/zinc/97/86/21/973978621.db2.gz LVVRVLDUCDXGIX-CQSZACIVSA-N 1 2 357.458 2.550 20 30 FFEDLO C#Cc1ccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)cn1 ZINC000728824404 974588208 /nfs/dbraw/zinc/58/82/08/974588208.db2.gz DOQUKQPOBXSYDC-UHFFFAOYSA-N 1 2 370.416 2.952 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC001027890215 975697598 /nfs/dbraw/zinc/69/75/98/975697598.db2.gz SKTBOWFQSMVHLQ-ZACQAIPSSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ncc(C2CC2)o1 ZINC001027890215 975697604 /nfs/dbraw/zinc/69/76/04/975697604.db2.gz SKTBOWFQSMVHLQ-ZACQAIPSSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(C3CC3)CCOCC2)[C@H]1C ZINC001088771332 976081776 /nfs/dbraw/zinc/08/17/76/976081776.db2.gz BEGDKKURFPRWAB-HIFRSBDPSA-N 1 2 371.319 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(C3CC3)CCOCC2)[C@H]1C ZINC001088771332 976081790 /nfs/dbraw/zinc/08/17/90/976081790.db2.gz BEGDKKURFPRWAB-HIFRSBDPSA-N 1 2 371.319 2.681 20 30 FFEDLO N#Cc1ccc(OCC[NH+]2CCN(c3nc(F)c(F)cc3F)CC2)cc1 ZINC000759968296 976447404 /nfs/dbraw/zinc/44/74/04/976447404.db2.gz HGFMQRWTOARBBN-UHFFFAOYSA-N 1 2 362.355 2.572 20 30 FFEDLO CCC(=CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC)CC ZINC001212122850 976844558 /nfs/dbraw/zinc/84/45/58/976844558.db2.gz STZQRMKAUZCTEW-RTBURBONSA-N 1 2 359.445 2.759 20 30 FFEDLO CCC(=CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC)CC ZINC001212122850 976844569 /nfs/dbraw/zinc/84/45/69/976844569.db2.gz STZQRMKAUZCTEW-RTBURBONSA-N 1 2 359.445 2.759 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)cs1 ZINC001088814972 976854917 /nfs/dbraw/zinc/85/49/17/976854917.db2.gz RGZMBZICGABHGR-BZNIZROVSA-N 1 2 358.442 2.855 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)cs1 ZINC001088814972 976854903 /nfs/dbraw/zinc/85/49/03/976854903.db2.gz RGZMBZICGABHGR-BZNIZROVSA-N 1 2 358.442 2.855 20 30 FFEDLO Cc1ncc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)s1 ZINC001075602731 976961985 /nfs/dbraw/zinc/96/19/85/976961985.db2.gz LKWODVNKZBNPQA-DOTOQJQBSA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1ncc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)s1 ZINC001075602731 976961995 /nfs/dbraw/zinc/96/19/95/976961995.db2.gz LKWODVNKZBNPQA-DOTOQJQBSA-N 1 2 370.453 2.809 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3coc(-c4ccccc4)n3)C[C@H]21 ZINC001075615992 977314063 /nfs/dbraw/zinc/31/40/63/977314063.db2.gz GDYOKYNSZNPDAE-QILLFSRXSA-N 1 2 350.422 2.534 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3coc(-c4ccccc4)n3)C[C@H]21 ZINC001075615992 977314070 /nfs/dbraw/zinc/31/40/70/977314070.db2.gz GDYOKYNSZNPDAE-QILLFSRXSA-N 1 2 350.422 2.534 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(-c4cccs4)o3)C[C@H]21 ZINC001075616439 977324038 /nfs/dbraw/zinc/32/40/38/977324038.db2.gz SPYZVNCGBKBYGG-MELADBBJSA-N 1 2 356.451 2.595 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(-c4cccs4)o3)C[C@H]21 ZINC001075616439 977324046 /nfs/dbraw/zinc/32/40/46/977324046.db2.gz SPYZVNCGBKBYGG-MELADBBJSA-N 1 2 356.451 2.595 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2scnc2C)C1 ZINC001087452598 977703941 /nfs/dbraw/zinc/70/39/41/977703941.db2.gz BDOUTJFPCRBLEI-IAGOWNOFSA-N 1 2 357.454 2.812 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2scnc2C)C1 ZINC001087452598 977703943 /nfs/dbraw/zinc/70/39/43/977703943.db2.gz BDOUTJFPCRBLEI-IAGOWNOFSA-N 1 2 357.454 2.812 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cncs2)C1 ZINC001087453369 977758894 /nfs/dbraw/zinc/75/88/94/977758894.db2.gz PCFGZYPOGCUVMM-IAGOWNOFSA-N 1 2 357.454 2.893 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cncs2)C1 ZINC001087453369 977758901 /nfs/dbraw/zinc/75/89/01/977758901.db2.gz PCFGZYPOGCUVMM-IAGOWNOFSA-N 1 2 357.454 2.893 20 30 FFEDLO C[C@@H](NCc1cc(C#N)cnc1Cl)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000877059090 1014463841 /nfs/dbraw/zinc/46/38/41/1014463841.db2.gz QKZRMKYDGYFANE-BEFAXECRSA-N 1 2 370.884 2.986 20 30 FFEDLO C[C@@H](NCc1cc(C#N)cnc1Cl)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000877059090 1014463849 /nfs/dbraw/zinc/46/38/49/1014463849.db2.gz QKZRMKYDGYFANE-BEFAXECRSA-N 1 2 370.884 2.986 20 30 FFEDLO COC[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)Cc2nn(CC3CC3)cc21 ZINC001137116384 1014495218 /nfs/dbraw/zinc/49/52/18/1014495218.db2.gz BYMTWASDTUCHJH-SFHVURJKSA-N 1 2 366.465 2.941 20 30 FFEDLO COC[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)Cc2nn(CC3CC3)cc21 ZINC001137116384 1014495221 /nfs/dbraw/zinc/49/52/21/1014495221.db2.gz BYMTWASDTUCHJH-SFHVURJKSA-N 1 2 366.465 2.941 20 30 FFEDLO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(F)c4F)C[C@H]32)c1 ZINC001076223274 979243993 /nfs/dbraw/zinc/24/39/93/979243993.db2.gz QXOLOLKYPJJWEG-HNAYVOBHSA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(F)c4F)C[C@H]32)c1 ZINC001076223274 979243999 /nfs/dbraw/zinc/24/39/99/979243999.db2.gz QXOLOLKYPJJWEG-HNAYVOBHSA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC=C(Cl)Cl)C[C@H]32)nc1 ZINC001076476000 979556258 /nfs/dbraw/zinc/55/62/58/979556258.db2.gz PVDAMRHJAKETQD-DZGCQCFKSA-N 1 2 350.249 2.528 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC=C(Cl)Cl)C[C@H]32)nc1 ZINC001076476000 979556265 /nfs/dbraw/zinc/55/62/65/979556265.db2.gz PVDAMRHJAKETQD-DZGCQCFKSA-N 1 2 350.249 2.528 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4c(F)cccc4F)C[C@H]32)cn1 ZINC001076476976 979557114 /nfs/dbraw/zinc/55/71/14/979557114.db2.gz KGYQNVCIVTVSIG-MGPUTAFESA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4c(F)cccc4F)C[C@H]32)cn1 ZINC001076476976 979557118 /nfs/dbraw/zinc/55/71/18/979557118.db2.gz KGYQNVCIVTVSIG-MGPUTAFESA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C3(C)CC(=C)C3)[C@H]2C)c1 ZINC001088844321 979628856 /nfs/dbraw/zinc/62/88/56/979628856.db2.gz MFJIOBRUTSRXHR-APWZRJJASA-N 1 2 365.477 2.542 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C3(C)CC(=C)C3)[C@H]2C)c1 ZINC001088844321 979628864 /nfs/dbraw/zinc/62/88/64/979628864.db2.gz MFJIOBRUTSRXHR-APWZRJJASA-N 1 2 365.477 2.542 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C3CCCCC3)[C@H]2C)c1 ZINC001088450721 979652402 /nfs/dbraw/zinc/65/24/02/979652402.db2.gz ACPRTLNTBSGFMZ-UZLBHIALSA-N 1 2 367.493 2.766 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C3CCCCC3)[C@H]2C)c1 ZINC001088450721 979652405 /nfs/dbraw/zinc/65/24/05/979652405.db2.gz ACPRTLNTBSGFMZ-UZLBHIALSA-N 1 2 367.493 2.766 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3nccn3CC)C[C@H]21)c1ccccc1 ZINC001076598298 979698211 /nfs/dbraw/zinc/69/82/11/979698211.db2.gz VJHXFQPVJUGDAC-SLFFLAALSA-N 1 2 364.493 2.906 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3nccn3CC)C[C@H]21)c1ccccc1 ZINC001076598298 979698216 /nfs/dbraw/zinc/69/82/16/979698216.db2.gz VJHXFQPVJUGDAC-SLFFLAALSA-N 1 2 364.493 2.906 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)[C@H]3CC=CCC3)[C@H]2C)c1 ZINC001088465548 979726433 /nfs/dbraw/zinc/72/64/33/979726433.db2.gz SQZYIDSKYZKJLX-KPFFTGBYSA-N 1 2 365.477 2.542 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC=CCC3)[C@H]2C)c1 ZINC001088465548 979726439 /nfs/dbraw/zinc/72/64/39/979726439.db2.gz SQZYIDSKYZKJLX-KPFFTGBYSA-N 1 2 365.477 2.542 20 30 FFEDLO N#Cc1cnc(Cl)c(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1 ZINC000877622778 1014649558 /nfs/dbraw/zinc/64/95/58/1014649558.db2.gz CHUGJSSLTKAYSV-MOPGFXCFSA-N 1 2 368.868 2.692 20 30 FFEDLO N#Cc1cnc(Cl)c(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1 ZINC000877622778 1014649564 /nfs/dbraw/zinc/64/95/64/1014649564.db2.gz CHUGJSSLTKAYSV-MOPGFXCFSA-N 1 2 368.868 2.692 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCOC4(CCCC4)C3)CC2)cc1 ZINC000905250402 980406532 /nfs/dbraw/zinc/40/65/32/980406532.db2.gz UVYAQXISRJIBED-FQEVSTJZSA-N 1 2 367.493 2.942 20 30 FFEDLO N#Cc1c(F)cccc1N1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001060186322 980410337 /nfs/dbraw/zinc/41/03/37/980410337.db2.gz BUIXNMXUYXHEEA-RRFJBIMHSA-N 1 2 367.428 2.699 20 30 FFEDLO N#Cc1c(F)cccc1N1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001060186322 980410343 /nfs/dbraw/zinc/41/03/43/980410343.db2.gz BUIXNMXUYXHEEA-RRFJBIMHSA-N 1 2 367.428 2.699 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)ns1 ZINC001088543934 980507004 /nfs/dbraw/zinc/50/70/04/980507004.db2.gz DZDCUVSTMJBLMK-WBMJQRKESA-N 1 2 358.442 2.855 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)ns1 ZINC001088543934 980507006 /nfs/dbraw/zinc/50/70/06/980507006.db2.gz DZDCUVSTMJBLMK-WBMJQRKESA-N 1 2 358.442 2.855 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001059855557 980995573 /nfs/dbraw/zinc/99/55/73/980995573.db2.gz RCXLBDWUCHXSQK-DFGXFYAUSA-N 1 2 356.470 2.703 20 30 FFEDLO N#Cc1ccc(CC(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cn1 ZINC000907809646 981299067 /nfs/dbraw/zinc/29/90/67/981299067.db2.gz LUWPYASPVXGBIL-MRXNPFEDSA-N 1 2 363.465 2.940 20 30 FFEDLO N#Cc1ccc(CC(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cn1 ZINC000907809646 981299071 /nfs/dbraw/zinc/29/90/71/981299071.db2.gz LUWPYASPVXGBIL-MRXNPFEDSA-N 1 2 363.465 2.940 20 30 FFEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001212008989 981453277 /nfs/dbraw/zinc/45/32/77/981453277.db2.gz JRTODSCUNISGNK-NIKGAXFTSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001212008989 981453282 /nfs/dbraw/zinc/45/32/82/981453282.db2.gz JRTODSCUNISGNK-NIKGAXFTSA-N 1 2 361.461 2.839 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)[C@H]1C ZINC001088609429 981499623 /nfs/dbraw/zinc/49/96/23/981499623.db2.gz UBNBNTOBBRAWKC-UTUOFQBUSA-N 1 2 351.235 2.909 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)[C@H]1C ZINC001088609429 981499625 /nfs/dbraw/zinc/49/96/25/981499625.db2.gz UBNBNTOBBRAWKC-UTUOFQBUSA-N 1 2 351.235 2.909 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C)on3)[C@@H]2C)cc1 ZINC001088671587 982272049 /nfs/dbraw/zinc/27/20/49/982272049.db2.gz NMNCGCYYDITZOQ-BEFAXECRSA-N 1 2 355.438 2.941 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)on3)[C@@H]2C)cc1 ZINC001088671587 982272052 /nfs/dbraw/zinc/27/20/52/982272052.db2.gz NMNCGCYYDITZOQ-BEFAXECRSA-N 1 2 355.438 2.941 20 30 FFEDLO CC(C)N(C)C(=O)[C@H](C)O[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000842027581 982621967 /nfs/dbraw/zinc/62/19/67/982621967.db2.gz UVTBMVJDHXXTBN-HNNXBMFYSA-N 1 2 370.453 2.553 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O)C1CC1 ZINC000072952728 983953384 /nfs/dbraw/zinc/95/33/84/983953384.db2.gz LJXVNTYJFBCUQI-FQEVSTJZSA-N 1 2 353.422 2.796 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O)C1CC1 ZINC000072952728 983953392 /nfs/dbraw/zinc/95/33/92/983953392.db2.gz LJXVNTYJFBCUQI-FQEVSTJZSA-N 1 2 353.422 2.796 20 30 FFEDLO CCOc1cccc(C=[NH+]CCCN2C(=O)NC3(CCCCC3)C2=O)c1O ZINC000912782222 984118237 /nfs/dbraw/zinc/11/82/37/984118237.db2.gz CGGLQBCELQSFHM-STZFKDTASA-N 1 2 373.453 2.855 20 30 FFEDLO CC(C)c1nsc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@H](C)C#N)CCC[C@@H]23)n1 ZINC001107336580 984460468 /nfs/dbraw/zinc/46/04/68/984460468.db2.gz ODKNZUNOPKRUNI-HBUWYVDXSA-N 1 2 361.515 2.682 20 30 FFEDLO CC(C)c1nsc(C[N@H+]2CC[C@@]3(CNC(=O)[C@H](C)C#N)CCC[C@@H]23)n1 ZINC001107336580 984460470 /nfs/dbraw/zinc/46/04/70/984460470.db2.gz ODKNZUNOPKRUNI-HBUWYVDXSA-N 1 2 361.515 2.682 20 30 FFEDLO O=C(C#CC1CC1)NC[C@]12CCC[C@H]1[N@H+](Cc1nccn1C(F)F)CC2 ZINC001107398580 984506070 /nfs/dbraw/zinc/50/60/70/984506070.db2.gz YCFFHPHWQBQJOE-DNVCBOLYSA-N 1 2 362.424 2.552 20 30 FFEDLO O=C(C#CC1CC1)NC[C@]12CCC[C@H]1[N@@H+](Cc1nccn1C(F)F)CC2 ZINC001107398580 984506072 /nfs/dbraw/zinc/50/60/72/984506072.db2.gz YCFFHPHWQBQJOE-DNVCBOLYSA-N 1 2 362.424 2.552 20 30 FFEDLO Cc1cc(-c2noc(CO[NH+]=C(N)c3ccc4c(c3)CCO4)n2)ccc1F ZINC000158150271 984791296 /nfs/dbraw/zinc/79/12/96/984791296.db2.gz AWNDCLNLPWHLPK-UHFFFAOYSA-N 1 2 368.368 2.956 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000761118765 984807828 /nfs/dbraw/zinc/80/78/28/984807828.db2.gz OSQYIGIKLVYHNP-LJQANCHMSA-N 1 2 350.422 2.744 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H]2CC[C@@H](c3ccccc3)O2)n1 ZINC000878525966 1015085073 /nfs/dbraw/zinc/08/50/73/1015085073.db2.gz HKMUUKVMDUXGJE-RTWAWAEBSA-N 1 2 353.466 2.885 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H]2CC[C@@H](c3ccccc3)O2)n1 ZINC000878525966 1015085084 /nfs/dbraw/zinc/08/50/84/1015085084.db2.gz HKMUUKVMDUXGJE-RTWAWAEBSA-N 1 2 353.466 2.885 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2c(F)cccc2F)[C@@H]1C ZINC001088868091 985166655 /nfs/dbraw/zinc/16/66/55/985166655.db2.gz KFKYKMNYBPXOMP-OSLDLMBLSA-N 1 2 350.409 2.635 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2c(F)cccc2F)[C@@H]1C ZINC001088868091 985166656 /nfs/dbraw/zinc/16/66/56/985166656.db2.gz KFKYKMNYBPXOMP-OSLDLMBLSA-N 1 2 350.409 2.635 20 30 FFEDLO CCc1oncc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001088893347 985337190 /nfs/dbraw/zinc/33/71/90/985337190.db2.gz VXSBILGXQVWDPD-PXAZEXFGSA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1oncc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001088893347 985337204 /nfs/dbraw/zinc/33/72/04/985337204.db2.gz VXSBILGXQVWDPD-PXAZEXFGSA-N 1 2 356.401 2.641 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2noc3c2CCCC3)[C@@H]1C ZINC001088914149 985438719 /nfs/dbraw/zinc/43/87/19/985438719.db2.gz LXXLAESYTKHRQP-FKKBTLCVSA-N 1 2 373.497 2.614 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2noc3c2CCCC3)[C@@H]1C ZINC001088914149 985438724 /nfs/dbraw/zinc/43/87/24/985438724.db2.gz LXXLAESYTKHRQP-FKKBTLCVSA-N 1 2 373.497 2.614 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)c(C)o1 ZINC001088915287 985448217 /nfs/dbraw/zinc/44/82/17/985448217.db2.gz SSZCYERGHZSWNH-PXAZEXFGSA-N 1 2 370.428 2.949 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)c(C)o1 ZINC001088915287 985448220 /nfs/dbraw/zinc/44/82/20/985448220.db2.gz SSZCYERGHZSWNH-PXAZEXFGSA-N 1 2 370.428 2.949 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncoc2C2CC2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088960269 985627535 /nfs/dbraw/zinc/62/75/35/985627535.db2.gz XRDQWQNQTVDJKD-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncoc2C2CC2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088960269 985627539 /nfs/dbraw/zinc/62/75/39/985627539.db2.gz XRDQWQNQTVDJKD-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncoc3C(C)C)[C@@H]2C)cn1 ZINC001088991062 985798514 /nfs/dbraw/zinc/79/85/14/985798514.db2.gz GFAAJELNRFXQEQ-PBHICJAKSA-N 1 2 352.438 2.567 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncoc3C(C)C)[C@@H]2C)cn1 ZINC001088991062 985798523 /nfs/dbraw/zinc/79/85/23/985798523.db2.gz GFAAJELNRFXQEQ-PBHICJAKSA-N 1 2 352.438 2.567 20 30 FFEDLO Cc1cc(C(N)=[NH+]OCC(=O)N(Cc2ccccc2)C2CC2)ccc1F ZINC000063457590 985835515 /nfs/dbraw/zinc/83/55/15/985835515.db2.gz RQOSMRUQILBPGQ-UHFFFAOYSA-N 1 2 355.413 2.962 20 30 FFEDLO Cc1cc(C(N)=[NH+]OCc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1F ZINC000063457759 985836199 /nfs/dbraw/zinc/83/61/99/985836199.db2.gz URIOSWTUQBEVHD-UHFFFAOYSA-N 1 2 361.329 2.746 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(OC)cc2)[C@H]1C ZINC001089001134 985892704 /nfs/dbraw/zinc/89/27/04/985892704.db2.gz QPSMXZVCDHZVKG-CJNGLKHVSA-N 1 2 367.287 2.725 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(OC)cc2)[C@H]1C ZINC001089001134 985892714 /nfs/dbraw/zinc/89/27/14/985892714.db2.gz QPSMXZVCDHZVKG-CJNGLKHVSA-N 1 2 367.287 2.725 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001089034812 986040850 /nfs/dbraw/zinc/04/08/50/986040850.db2.gz QJEHJFBLMJQOAQ-XIKOKIGWSA-N 1 2 370.428 2.949 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001089034812 986040856 /nfs/dbraw/zinc/04/08/56/986040856.db2.gz QJEHJFBLMJQOAQ-XIKOKIGWSA-N 1 2 370.428 2.949 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C(C)(C)CC(F)F ZINC001212397787 986063305 /nfs/dbraw/zinc/06/33/05/986063305.db2.gz SSTZXPTXVJHRBR-ZIAGYGMSSA-N 1 2 371.453 2.617 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C(C)(C)CC(F)F ZINC001212397787 986063321 /nfs/dbraw/zinc/06/33/21/986063321.db2.gz SSTZXPTXVJHRBR-ZIAGYGMSSA-N 1 2 371.453 2.617 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001007361401 1015195242 /nfs/dbraw/zinc/19/52/42/1015195242.db2.gz XPWSWSKEMGEFMY-JZXOWHBKSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001007361401 1015195249 /nfs/dbraw/zinc/19/52/49/1015195249.db2.gz XPWSWSKEMGEFMY-JZXOWHBKSA-N 1 2 361.486 2.860 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000878774776 1015210818 /nfs/dbraw/zinc/21/08/18/1015210818.db2.gz VBUQLLYSAPIHKJ-KZNAEPCWSA-N 1 2 369.513 2.532 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1cscn1 ZINC001089181196 986510719 /nfs/dbraw/zinc/51/07/19/986510719.db2.gz HCTFGRTWZFRNDK-KSZLIROESA-N 1 2 363.527 2.937 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1cscn1 ZINC001089181196 986510724 /nfs/dbraw/zinc/51/07/24/986510724.db2.gz HCTFGRTWZFRNDK-KSZLIROESA-N 1 2 363.527 2.937 20 30 FFEDLO CCCC[C@@](C)(F)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212489259 987707286 /nfs/dbraw/zinc/70/72/86/987707286.db2.gz KXBBWFGVMYTAQX-SFHLNBCPSA-N 1 2 360.473 2.772 20 30 FFEDLO CCCC[C@@](C)(F)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212489259 987707292 /nfs/dbraw/zinc/70/72/92/987707292.db2.gz KXBBWFGVMYTAQX-SFHLNBCPSA-N 1 2 360.473 2.772 20 30 FFEDLO C#CCNC(=O)c1cccc(-c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)c1 ZINC000761797019 987836137 /nfs/dbraw/zinc/83/61/37/987836137.db2.gz GIRJJXAVYZKBHC-UHFFFAOYSA-N 1 2 369.384 2.952 20 30 FFEDLO N#Cc1ccc(N2CCN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC001168716406 988245896 /nfs/dbraw/zinc/24/58/96/988245896.db2.gz LSLSXQRITNAVLH-UHFFFAOYSA-N 1 2 371.444 2.635 20 30 FFEDLO NC(=[NH+]OCc1nc(-c2ccccc2F)no1)c1ccc2c(c1)CCO2 ZINC000186778621 989212058 /nfs/dbraw/zinc/21/20/58/989212058.db2.gz MEZCILKPTDPKFB-UHFFFAOYSA-N 1 2 354.341 2.648 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)/C(C)=C\C)C[C@H]2c2c[nH+]cn2C)CC1 ZINC000993596473 989320007 /nfs/dbraw/zinc/32/00/07/989320007.db2.gz HOQXFEWLQQMDKS-LHQSCQDDSA-N 1 2 370.497 2.543 20 30 FFEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000917213114 990176380 /nfs/dbraw/zinc/17/63/80/990176380.db2.gz SQNZNANONSCDIT-UHFFFAOYSA-N 1 2 373.460 2.632 20 30 FFEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000917213114 990176383 /nfs/dbraw/zinc/17/63/83/990176383.db2.gz SQNZNANONSCDIT-UHFFFAOYSA-N 1 2 373.460 2.632 20 30 FFEDLO C[C@H](Nc1ncccc1C#N)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001061890374 990514798 /nfs/dbraw/zinc/51/47/98/990514798.db2.gz YVHUQKBRFPPGTL-IAOVAPTHSA-N 1 2 364.453 2.519 20 30 FFEDLO C[C@H](Nc1ncccc1C#N)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001061890374 990514806 /nfs/dbraw/zinc/51/48/06/990514806.db2.gz YVHUQKBRFPPGTL-IAOVAPTHSA-N 1 2 364.453 2.519 20 30 FFEDLO CCC(=O)N[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000130419998 990534632 /nfs/dbraw/zinc/53/46/32/990534632.db2.gz HKICZLPJHNATGL-SFHVURJKSA-N 1 2 370.497 2.541 20 30 FFEDLO CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000130419998 990534641 /nfs/dbraw/zinc/53/46/41/990534641.db2.gz HKICZLPJHNATGL-SFHVURJKSA-N 1 2 370.497 2.541 20 30 FFEDLO CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000130419819 990534692 /nfs/dbraw/zinc/53/46/92/990534692.db2.gz HKICZLPJHNATGL-GOSISDBHSA-N 1 2 370.497 2.541 20 30 FFEDLO CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000130419819 990534704 /nfs/dbraw/zinc/53/47/04/990534704.db2.gz HKICZLPJHNATGL-GOSISDBHSA-N 1 2 370.497 2.541 20 30 FFEDLO CN(C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)c1cccc(F)c1C#N ZINC001062188458 990680698 /nfs/dbraw/zinc/68/06/98/990680698.db2.gz FZBOBOOEPSIPQQ-RBSFLKMASA-N 1 2 367.428 2.509 20 30 FFEDLO CN(C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)c1cccc(F)c1C#N ZINC001062188458 990680702 /nfs/dbraw/zinc/68/07/02/990680702.db2.gz FZBOBOOEPSIPQQ-RBSFLKMASA-N 1 2 367.428 2.509 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001005861087 990788147 /nfs/dbraw/zinc/78/81/47/990788147.db2.gz OWSARBPQIJPKAO-AXUOBQJMSA-N 1 2 370.497 2.583 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001005861087 990788150 /nfs/dbraw/zinc/78/81/50/990788150.db2.gz OWSARBPQIJPKAO-AXUOBQJMSA-N 1 2 370.497 2.583 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1CC)C1CC[NH+](Cc2cc3n(n2)CCCC3)CC1 ZINC001483987461 991304325 /nfs/dbraw/zinc/30/43/25/991304325.db2.gz QNJJEUWBIAYGSY-DYESRHJHSA-N 1 2 368.525 2.692 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001063054141 991333117 /nfs/dbraw/zinc/33/31/17/991333117.db2.gz JOQGWOWLIABCML-KURKYZTESA-N 1 2 370.497 2.681 20 30 FFEDLO CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3cn[nH]c32)[C@H](OC)C1 ZINC001212281860 991477907 /nfs/dbraw/zinc/47/79/07/991477907.db2.gz DRAMFRRMTSFMAL-KZNAEPCWSA-N 1 2 362.518 2.615 20 30 FFEDLO CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3cn[nH]c32)[C@H](OC)C1 ZINC001212281860 991477911 /nfs/dbraw/zinc/47/79/11/991477911.db2.gz DRAMFRRMTSFMAL-KZNAEPCWSA-N 1 2 362.518 2.615 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(C1)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001064589799 991651926 /nfs/dbraw/zinc/65/19/26/991651926.db2.gz WSWPIXNQPKWNSA-MSOLQXFVSA-N 1 2 370.497 2.585 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)c1cncs1 ZINC001079464890 992130827 /nfs/dbraw/zinc/13/08/27/992130827.db2.gz RRZPDZNOLQEZIO-CZUORRHYSA-N 1 2 359.882 2.898 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)c1cncs1 ZINC001079464890 992130835 /nfs/dbraw/zinc/13/08/35/992130835.db2.gz RRZPDZNOLQEZIO-CZUORRHYSA-N 1 2 359.882 2.898 20 30 FFEDLO Cc1cccnc1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001079536496 992175241 /nfs/dbraw/zinc/17/52/41/992175241.db2.gz MTWMGLBUJQWERU-RDTXWAMCSA-N 1 2 352.413 2.651 20 30 FFEDLO Cc1cccnc1C(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001079536496 992175251 /nfs/dbraw/zinc/17/52/51/992175251.db2.gz MTWMGLBUJQWERU-RDTXWAMCSA-N 1 2 352.413 2.651 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2F)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079541914 992193131 /nfs/dbraw/zinc/19/31/31/992193131.db2.gz GRALNNGAFVTRDJ-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2F)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079541914 992193136 /nfs/dbraw/zinc/19/31/36/992193136.db2.gz GRALNNGAFVTRDJ-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cnc(C2CC2)o1 ZINC001079872187 992514774 /nfs/dbraw/zinc/51/47/74/992514774.db2.gz AUUYNWYTBRBTTP-SJKOYZFVSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cnc(C2CC2)o1 ZINC001079872187 992514781 /nfs/dbraw/zinc/51/47/81/992514781.db2.gz AUUYNWYTBRBTTP-SJKOYZFVSA-N 1 2 368.412 2.813 20 30 FFEDLO CC(=O)Nc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)NC1(C#N)CCCCC1)CC2 ZINC000880028505 1015737796 /nfs/dbraw/zinc/73/77/96/1015737796.db2.gz FRCPHJKMQGEFAI-HNNXBMFYSA-N 1 2 368.481 2.734 20 30 FFEDLO CC(=O)Nc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)NC1(C#N)CCCCC1)CC2 ZINC000880028505 1015737803 /nfs/dbraw/zinc/73/78/03/1015737803.db2.gz FRCPHJKMQGEFAI-HNNXBMFYSA-N 1 2 368.481 2.734 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]2C)[nH]1 ZINC001080463494 993070315 /nfs/dbraw/zinc/07/03/15/993070315.db2.gz VTDABLGYDDEUNY-FZKQIMNGSA-N 1 2 370.884 2.782 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]2C)[nH]1 ZINC001080463494 993070321 /nfs/dbraw/zinc/07/03/21/993070321.db2.gz VTDABLGYDDEUNY-FZKQIMNGSA-N 1 2 370.884 2.782 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001080589999 993196986 /nfs/dbraw/zinc/19/69/86/993196986.db2.gz XKBONYAHZSODBN-FDPIWHGQSA-N 1 2 373.497 2.860 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001080589999 993196989 /nfs/dbraw/zinc/19/69/89/993196989.db2.gz XKBONYAHZSODBN-FDPIWHGQSA-N 1 2 373.497 2.860 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C1CCCCC1 ZINC001081287777 993785793 /nfs/dbraw/zinc/78/57/93/993785793.db2.gz LULMRISKYVWGHO-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C1CCCCC1 ZINC001081287777 993785805 /nfs/dbraw/zinc/78/58/05/993785805.db2.gz LULMRISKYVWGHO-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C(C)=C1CCCC1 ZINC001081515915 993865199 /nfs/dbraw/zinc/86/51/99/993865199.db2.gz KXWZNHWMIIRVDF-WOJBJXKFSA-N 1 2 353.466 2.764 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C(C)=C1CCCC1 ZINC001081515915 993865203 /nfs/dbraw/zinc/86/52/03/993865203.db2.gz KXWZNHWMIIRVDF-WOJBJXKFSA-N 1 2 353.466 2.764 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C(C)=C1CCC1 ZINC001081648981 993912578 /nfs/dbraw/zinc/91/25/78/993912578.db2.gz WOHJXHVYNYGXNN-RTBURBONSA-N 1 2 357.429 2.513 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C(C)=C1CCC1 ZINC001081648981 993912589 /nfs/dbraw/zinc/91/25/89/993912589.db2.gz WOHJXHVYNYGXNN-RTBURBONSA-N 1 2 357.429 2.513 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C12CCC(CC1)C2 ZINC001081858048 994025126 /nfs/dbraw/zinc/02/51/26/994025126.db2.gz RDWJMRQGKLOHGB-JAQPBELDSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C12CCC(CC1)C2 ZINC001081858048 994025134 /nfs/dbraw/zinc/02/51/34/994025134.db2.gz RDWJMRQGKLOHGB-JAQPBELDSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C1CC2(CCC2)C1 ZINC001082041194 994115062 /nfs/dbraw/zinc/11/50/62/994115062.db2.gz MIIIZZBRYNCBIF-RTBURBONSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C1CC2(CCC2)C1 ZINC001082041194 994115069 /nfs/dbraw/zinc/11/50/69/994115069.db2.gz MIIIZZBRYNCBIF-RTBURBONSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1(C)CCCCC1 ZINC001082096062 994152474 /nfs/dbraw/zinc/15/24/74/994152474.db2.gz WYCRTRQONZFGLJ-RTBURBONSA-N 1 2 355.482 2.844 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1(C)CCCCC1 ZINC001082096062 994152478 /nfs/dbraw/zinc/15/24/78/994152478.db2.gz WYCRTRQONZFGLJ-RTBURBONSA-N 1 2 355.482 2.844 20 30 FFEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001082112827 994195781 /nfs/dbraw/zinc/19/57/81/994195781.db2.gz HLZWNUWURGOMNY-VBSBHUPXSA-N 1 2 374.912 2.943 20 30 FFEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001082112827 994195784 /nfs/dbraw/zinc/19/57/84/994195784.db2.gz HLZWNUWURGOMNY-VBSBHUPXSA-N 1 2 374.912 2.943 20 30 FFEDLO C=CCC(CC=C)C(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001082145459 994208123 /nfs/dbraw/zinc/20/81/23/994208123.db2.gz YBPGFJBAPABTOD-RCCFBDPRSA-N 1 2 370.497 2.779 20 30 FFEDLO C=CCC(CC=C)C(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001082145459 994208137 /nfs/dbraw/zinc/20/81/37/994208137.db2.gz YBPGFJBAPABTOD-RCCFBDPRSA-N 1 2 370.497 2.779 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001082152469 994209738 /nfs/dbraw/zinc/20/97/38/994209738.db2.gz NNIKVZWKVSABTM-BNEJOLLZSA-N 1 2 361.511 2.617 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001082152469 994209747 /nfs/dbraw/zinc/20/97/47/994209747.db2.gz NNIKVZWKVSABTM-BNEJOLLZSA-N 1 2 361.511 2.617 20 30 FFEDLO C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001131506749 994338298 /nfs/dbraw/zinc/33/82/98/994338298.db2.gz NLXRGWLRVBRFLG-ILXRZTDVSA-N 1 2 366.399 2.839 20 30 FFEDLO C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001131506749 994338310 /nfs/dbraw/zinc/33/83/10/994338310.db2.gz NLXRGWLRVBRFLG-ILXRZTDVSA-N 1 2 366.399 2.839 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H](C)C1CCCC1 ZINC001082319306 994342837 /nfs/dbraw/zinc/34/28/37/994342837.db2.gz PPTSPMVBUWXVQA-MORSLUCNSA-N 1 2 361.511 2.761 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H](C)C1CCCC1 ZINC001082319306 994342848 /nfs/dbraw/zinc/34/28/48/994342848.db2.gz PPTSPMVBUWXVQA-MORSLUCNSA-N 1 2 361.511 2.761 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C12CCC(CC1)CC2 ZINC001082380766 994528089 /nfs/dbraw/zinc/52/80/89/994528089.db2.gz GPRPTGCPVOOQEJ-RTMXWXTASA-N 1 2 367.493 2.844 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C12CCC(CC1)CC2 ZINC001082380766 994528101 /nfs/dbraw/zinc/52/81/01/994528101.db2.gz GPRPTGCPVOOQEJ-RTMXWXTASA-N 1 2 367.493 2.844 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1(C)C(C)(C)C1(C)C ZINC001082400340 994540147 /nfs/dbraw/zinc/54/01/47/994540147.db2.gz RXNSMAMZUMIPNR-QZTJIDSGSA-N 1 2 369.509 2.946 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1(C)C(C)(C)C1(C)C ZINC001082400340 994540156 /nfs/dbraw/zinc/54/01/56/994540156.db2.gz RXNSMAMZUMIPNR-QZTJIDSGSA-N 1 2 369.509 2.946 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812852239 995554434 /nfs/dbraw/zinc/55/44/34/995554434.db2.gz DUGCICYGFVEBOI-UZLBHIALSA-N 1 2 372.490 2.776 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812852239 995554444 /nfs/dbraw/zinc/55/44/44/995554444.db2.gz DUGCICYGFVEBOI-UZLBHIALSA-N 1 2 372.490 2.776 20 30 FFEDLO CC1(C)CC[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001083169740 996133767 /nfs/dbraw/zinc/13/37/67/996133767.db2.gz DTLZIQLMZUJOOV-NZSAHSFTSA-N 1 2 371.456 2.545 20 30 FFEDLO CC1(C)CC[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001083169740 996133770 /nfs/dbraw/zinc/13/37/70/996133770.db2.gz DTLZIQLMZUJOOV-NZSAHSFTSA-N 1 2 371.456 2.545 20 30 FFEDLO O=C(c1ccncc1)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084153053 996282769 /nfs/dbraw/zinc/28/27/69/996282769.db2.gz PPQKIOGBGFYLGA-UYAOXDASSA-N 1 2 365.864 2.933 20 30 FFEDLO O=C(c1ccncc1)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084153053 996282777 /nfs/dbraw/zinc/28/27/77/996282777.db2.gz PPQKIOGBGFYLGA-UYAOXDASSA-N 1 2 365.864 2.933 20 30 FFEDLO Cc1cncc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)c1 ZINC001084252162 996356642 /nfs/dbraw/zinc/35/66/42/996356642.db2.gz LEJWMKXDRZVLFX-OXQOHEQNSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cncc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)c1 ZINC001084252162 996356647 /nfs/dbraw/zinc/35/66/47/996356647.db2.gz LEJWMKXDRZVLFX-OXQOHEQNSA-N 1 2 364.424 2.747 20 30 FFEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(Br)c3)C[C@H]21 ZINC001084232122 996380912 /nfs/dbraw/zinc/38/09/12/996380912.db2.gz UIQILBQNMLVAMS-XNRPHZJLSA-N 1 2 362.271 2.641 20 30 FFEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(Br)c3)C[C@H]21 ZINC001084232122 996380918 /nfs/dbraw/zinc/38/09/18/996380918.db2.gz UIQILBQNMLVAMS-XNRPHZJLSA-N 1 2 362.271 2.641 20 30 FFEDLO COc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)c1Cl ZINC001084333941 996463496 /nfs/dbraw/zinc/46/34/96/996463496.db2.gz HYPPFHUIOHKCIU-NVXWUHKLSA-N 1 2 358.869 2.795 20 30 FFEDLO COc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)c1Cl ZINC001084333941 996463497 /nfs/dbraw/zinc/46/34/97/996463497.db2.gz HYPPFHUIOHKCIU-NVXWUHKLSA-N 1 2 358.869 2.795 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nc3-c3ccco3)[C@@H]2C1 ZINC001084335359 996464640 /nfs/dbraw/zinc/46/46/40/996464640.db2.gz GTMCAKSFPOGLHT-UKRRQHHQSA-N 1 2 360.845 2.579 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nc3-c3ccco3)[C@@H]2C1 ZINC001084335359 996464644 /nfs/dbraw/zinc/46/46/44/996464644.db2.gz GTMCAKSFPOGLHT-UKRRQHHQSA-N 1 2 360.845 2.579 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)CCCC1(C)C ZINC000803668397 1016042702 /nfs/dbraw/zinc/04/27/02/1016042702.db2.gz OIDMDGHHLPCQIR-KRWDZBQOSA-N 1 2 373.497 2.917 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC4(F)F)[C@@H]3C2)c(F)c1 ZINC001084440777 996593230 /nfs/dbraw/zinc/59/32/30/996593230.db2.gz YOIJBGWKFCPAKJ-BFYDXBDKSA-N 1 2 363.383 2.775 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC4(F)F)[C@@H]3C2)c(F)c1 ZINC001084440777 996593234 /nfs/dbraw/zinc/59/32/34/996593234.db2.gz YOIJBGWKFCPAKJ-BFYDXBDKSA-N 1 2 363.383 2.775 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(Br)c3)[C@@H]2C1 ZINC001084529723 996664024 /nfs/dbraw/zinc/66/40/24/996664024.db2.gz ZEWROJGVSIAITL-ZYHUDNBSSA-N 1 2 358.667 2.676 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(Br)c3)[C@@H]2C1 ZINC001084529723 996664026 /nfs/dbraw/zinc/66/40/26/996664026.db2.gz ZEWROJGVSIAITL-ZYHUDNBSSA-N 1 2 358.667 2.676 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CCN1Cc1[nH+]c2ccccn2c1C ZINC001137272500 1016054344 /nfs/dbraw/zinc/05/43/44/1016054344.db2.gz XCJXZMDBLJQCEM-GOSISDBHSA-N 1 2 351.454 2.678 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C5CC5)no4)C[C@H]32)cc1 ZINC001084567677 996680935 /nfs/dbraw/zinc/68/09/35/996680935.db2.gz DHPGGOCJPAGHRJ-WIYYLYMNSA-N 1 2 361.445 2.880 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C5CC5)no4)C[C@H]32)cc1 ZINC001084567677 996680938 /nfs/dbraw/zinc/68/09/38/996680938.db2.gz DHPGGOCJPAGHRJ-WIYYLYMNSA-N 1 2 361.445 2.880 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4cnc(OC)nc4C)C[C@H]32)CC1 ZINC001084634391 996747401 /nfs/dbraw/zinc/74/74/01/996747401.db2.gz OIGJBJUADGVEHV-IEBWSBKVSA-N 1 2 370.497 2.573 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4cnc(OC)nc4C)C[C@H]32)CC1 ZINC001084634391 996747406 /nfs/dbraw/zinc/74/74/06/996747406.db2.gz OIGJBJUADGVEHV-IEBWSBKVSA-N 1 2 370.497 2.573 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)Nc4cccc(C)c4)C[C@H]32)C1 ZINC001084645162 996758191 /nfs/dbraw/zinc/75/81/91/996758191.db2.gz HDJCGXJTMJHWOQ-IEBWSBKVSA-N 1 2 367.493 2.823 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](CC(=O)Nc4cccc(C)c4)C[C@H]32)C1 ZINC001084645162 996758195 /nfs/dbraw/zinc/75/81/95/996758195.db2.gz HDJCGXJTMJHWOQ-IEBWSBKVSA-N 1 2 367.493 2.823 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-c4ncon4)c3)[C@@H]2C1 ZINC001084656234 996770318 /nfs/dbraw/zinc/77/03/18/996770318.db2.gz WMQYHJWLUMGGSB-HZPDHXFCSA-N 1 2 358.829 2.635 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(-c4ncon4)c3)[C@@H]2C1 ZINC001084656234 996770320 /nfs/dbraw/zinc/77/03/20/996770320.db2.gz WMQYHJWLUMGGSB-HZPDHXFCSA-N 1 2 358.829 2.635 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(CCCC)c3C)[C@@H]2C1 ZINC001084765454 997260762 /nfs/dbraw/zinc/26/07/62/997260762.db2.gz ADYKYXWZVCNIQW-NVXWUHKLSA-N 1 2 350.894 2.890 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CCCC)c3C)[C@@H]2C1 ZINC001084765454 997260772 /nfs/dbraw/zinc/26/07/72/997260772.db2.gz ADYKYXWZVCNIQW-NVXWUHKLSA-N 1 2 350.894 2.890 20 30 FFEDLO CC(C)n1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)cn1 ZINC001084771014 997268675 /nfs/dbraw/zinc/26/86/75/997268675.db2.gz MUTGZIKVPDZCJY-RDTXWAMCSA-N 1 2 369.494 2.744 20 30 FFEDLO CC(C)n1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)cn1 ZINC001084771014 997268688 /nfs/dbraw/zinc/26/86/88/997268688.db2.gz MUTGZIKVPDZCJY-RDTXWAMCSA-N 1 2 369.494 2.744 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Oc3ccc(F)cc3)[C@@H]2C1 ZINC001084820065 997540223 /nfs/dbraw/zinc/54/02/23/997540223.db2.gz FKQWXIUIYRWUPR-JJRVBVJISA-N 1 2 352.837 2.878 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Oc3ccc(F)cc3)[C@@H]2C1 ZINC001084820065 997540231 /nfs/dbraw/zinc/54/02/31/997540231.db2.gz FKQWXIUIYRWUPR-JJRVBVJISA-N 1 2 352.837 2.878 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1OC ZINC001090918611 997748886 /nfs/dbraw/zinc/74/88/86/997748886.db2.gz RMDQFLWAXSSDMX-HZPDHXFCSA-N 1 2 360.502 2.831 20 30 FFEDLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844330246 997789059 /nfs/dbraw/zinc/78/90/59/997789059.db2.gz NQLKLAAOPDYVTA-MRXNPFEDSA-N 1 2 360.414 2.957 20 30 FFEDLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844330246 997789067 /nfs/dbraw/zinc/78/90/67/997789067.db2.gz NQLKLAAOPDYVTA-MRXNPFEDSA-N 1 2 360.414 2.957 20 30 FFEDLO COCCN(C(=O)OC(C)(C)C)C1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000844354512 997824393 /nfs/dbraw/zinc/82/43/93/997824393.db2.gz LJVSQCZGKZQFMU-INIZCTEOSA-N 1 2 364.490 2.778 20 30 FFEDLO COc1ccc(F)c(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)c1F ZINC001143977373 997908299 /nfs/dbraw/zinc/90/82/99/997908299.db2.gz GSVOWPHCKZVPOF-UHFFFAOYSA-N 1 2 358.392 2.952 20 30 FFEDLO COc1ccc(F)c(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)c1F ZINC001143977373 997908303 /nfs/dbraw/zinc/90/83/03/997908303.db2.gz GSVOWPHCKZVPOF-UHFFFAOYSA-N 1 2 358.392 2.952 20 30 FFEDLO CC[C@H](OC)C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001084902565 997967641 /nfs/dbraw/zinc/96/76/41/997967641.db2.gz HNKAKPYCNAKNBP-CCKFTAQKSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@H](OC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001084902565 997967644 /nfs/dbraw/zinc/96/76/44/997967644.db2.gz HNKAKPYCNAKNBP-CCKFTAQKSA-N 1 2 359.445 2.545 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)nc1 ZINC001144157396 998071296 /nfs/dbraw/zinc/07/12/96/998071296.db2.gz GIUOAXYZFYFZQO-GHTZIAJQSA-N 1 2 364.449 2.798 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)nc1 ZINC001144157396 998071306 /nfs/dbraw/zinc/07/13/06/998071306.db2.gz GIUOAXYZFYFZQO-GHTZIAJQSA-N 1 2 364.449 2.798 20 30 FFEDLO N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C/C(Cl)=C\Cl)[C@H]3C2)[nH]1 ZINC001084923508 998105136 /nfs/dbraw/zinc/10/51/36/998105136.db2.gz VLMNTLFCHREOGL-AKQNCTFISA-N 1 2 353.253 2.742 20 30 FFEDLO N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C/C(Cl)=C\Cl)[C@H]3C2)[nH]1 ZINC001084923508 998105140 /nfs/dbraw/zinc/10/51/40/998105140.db2.gz VLMNTLFCHREOGL-AKQNCTFISA-N 1 2 353.253 2.742 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)nc1 ZINC001144169323 998107813 /nfs/dbraw/zinc/10/78/13/998107813.db2.gz FTCVLZVLMIJWCH-UHFFFAOYSA-N 1 2 356.433 2.732 20 30 FFEDLO C#Cc1ccc(CN2CCc3c([nH+]cn3C(C)C)[C@H]2CNC(C)=O)cc1 ZINC001144569114 998659656 /nfs/dbraw/zinc/65/96/56/998659656.db2.gz KGQBKZVQLZXPHV-HXUWFJFHSA-N 1 2 350.466 2.681 20 30 FFEDLO C#Cc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CC(=O)OC)cc1 ZINC001144576582 998662479 /nfs/dbraw/zinc/66/24/79/998662479.db2.gz NPXPPKXTCJOCSI-SFHVURJKSA-N 1 2 372.465 2.652 20 30 FFEDLO C#Cc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CC(=O)OC)cc1 ZINC001144576582 998662481 /nfs/dbraw/zinc/66/24/81/998662481.db2.gz NPXPPKXTCJOCSI-SFHVURJKSA-N 1 2 372.465 2.652 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066209515 999148448 /nfs/dbraw/zinc/14/84/48/999148448.db2.gz MGRONNKRZXSCFH-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066209515 999148453 /nfs/dbraw/zinc/14/84/53/999148453.db2.gz MGRONNKRZXSCFH-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C#Cc1cccc(N(C)C(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000735470949 999434486 /nfs/dbraw/zinc/43/44/86/999434486.db2.gz UQXVSECCMCJCEL-KRWDZBQOSA-N 1 2 365.452 2.981 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085599987 999586328 /nfs/dbraw/zinc/58/63/28/999586328.db2.gz HEHIOGFJXUKWFR-QGTPRVQTSA-N 1 2 359.495 2.634 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085599987 999586331 /nfs/dbraw/zinc/58/63/31/999586331.db2.gz HEHIOGFJXUKWFR-QGTPRVQTSA-N 1 2 359.495 2.634 20 30 FFEDLO C[C@H](C(=O)OCCOc1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000740987617 999696145 /nfs/dbraw/zinc/69/61/45/999696145.db2.gz QJVSNAIGTUVQKW-MRXNPFEDSA-N 1 2 350.418 2.927 20 30 FFEDLO C[C@H](C(=O)OCCOc1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000740987617 999696146 /nfs/dbraw/zinc/69/61/46/999696146.db2.gz QJVSNAIGTUVQKW-MRXNPFEDSA-N 1 2 350.418 2.927 20 30 FFEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000746457911 999994050 /nfs/dbraw/zinc/99/40/50/999994050.db2.gz TWEIVYQIXZBZOB-UHFFFAOYSA-N 1 2 353.397 2.972 20 30 FFEDLO C#CC[N@H+](CC)CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000746457911 999994052 /nfs/dbraw/zinc/99/40/52/999994052.db2.gz TWEIVYQIXZBZOB-UHFFFAOYSA-N 1 2 353.397 2.972 20 30 FFEDLO N#Cc1c2c(cn(C[N@@H+](Cc3ccccc3)C[C@@H]3CCCO3)c1=O)CCC2 ZINC000766613018 1000028846 /nfs/dbraw/zinc/02/88/46/1000028846.db2.gz RZIPSRIFPLHVGW-IBGZPJMESA-N 1 2 363.461 2.847 20 30 FFEDLO N#Cc1c2c(cn(C[N@H+](Cc3ccccc3)C[C@@H]3CCCO3)c1=O)CCC2 ZINC000766613018 1000028848 /nfs/dbraw/zinc/02/88/48/1000028848.db2.gz RZIPSRIFPLHVGW-IBGZPJMESA-N 1 2 363.461 2.847 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001156320062 1000048688 /nfs/dbraw/zinc/04/86/88/1000048688.db2.gz OOOOESXWPIEPHG-VIFPVBQESA-N 1 2 358.179 2.783 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109019814 1000151435 /nfs/dbraw/zinc/15/14/35/1000151435.db2.gz LDKBTFQNIGRAGT-KTGNWYGMSA-N 1 2 373.472 2.980 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109019814 1000151436 /nfs/dbraw/zinc/15/14/36/1000151436.db2.gz LDKBTFQNIGRAGT-KTGNWYGMSA-N 1 2 373.472 2.980 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1cc(F)ccc1F ZINC001109065790 1000158121 /nfs/dbraw/zinc/15/81/21/1000158121.db2.gz PAVRCHVRLGHVTM-YENGBRFLSA-N 1 2 350.409 2.950 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1cc(F)ccc1F ZINC001109065790 1000158122 /nfs/dbraw/zinc/15/81/22/1000158122.db2.gz PAVRCHVRLGHVTM-YENGBRFLSA-N 1 2 350.409 2.950 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ccc(F)cc1F ZINC001109065358 1000158147 /nfs/dbraw/zinc/15/81/47/1000158147.db2.gz LHPXAFVJJAVHKK-YENGBRFLSA-N 1 2 350.409 2.950 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ccc(F)cc1F ZINC001109065358 1000158149 /nfs/dbraw/zinc/15/81/49/1000158149.db2.gz LHPXAFVJJAVHKK-YENGBRFLSA-N 1 2 350.409 2.950 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC001109204017 1000185458 /nfs/dbraw/zinc/18/54/58/1000185458.db2.gz AEMYXZWTAGLFIK-RNQOJCNYSA-N 1 2 367.493 2.847 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC001109204017 1000185460 /nfs/dbraw/zinc/18/54/60/1000185460.db2.gz AEMYXZWTAGLFIK-RNQOJCNYSA-N 1 2 367.493 2.847 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)Nc1ccccc1C ZINC001109204568 1000185836 /nfs/dbraw/zinc/18/58/36/1000185836.db2.gz SSONGEXECMHRJU-JYBIWHBTSA-N 1 2 367.493 2.847 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)Nc1ccccc1C ZINC001109204568 1000185839 /nfs/dbraw/zinc/18/58/39/1000185839.db2.gz SSONGEXECMHRJU-JYBIWHBTSA-N 1 2 367.493 2.847 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(-c2ccco2)on1 ZINC001109208669 1000186820 /nfs/dbraw/zinc/18/68/20/1000186820.db2.gz XPTQCXSZXNAFRF-IKGGRYGDSA-N 1 2 353.422 2.960 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(-c2ccco2)on1 ZINC001109208669 1000186822 /nfs/dbraw/zinc/18/68/22/1000186822.db2.gz XPTQCXSZXNAFRF-IKGGRYGDSA-N 1 2 353.422 2.960 20 30 FFEDLO COC1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)CCC1 ZINC001109215776 1000189155 /nfs/dbraw/zinc/18/91/55/1000189155.db2.gz WSVQCPJCPDXOIR-NEWSRXKRSA-N 1 2 371.456 2.878 20 30 FFEDLO COC1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)CCC1 ZINC001109215776 1000189157 /nfs/dbraw/zinc/18/91/57/1000189157.db2.gz WSVQCPJCPDXOIR-NEWSRXKRSA-N 1 2 371.456 2.878 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)C(C)C ZINC001109266181 1000206972 /nfs/dbraw/zinc/20/69/72/1000206972.db2.gz OUVQYEWKRHIFRU-ANULTFPQSA-N 1 2 372.484 2.960 20 30 FFEDLO CCO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)C(C)C ZINC001109266181 1000206974 /nfs/dbraw/zinc/20/69/74/1000206974.db2.gz OUVQYEWKRHIFRU-ANULTFPQSA-N 1 2 372.484 2.960 20 30 FFEDLO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109262244 1000218984 /nfs/dbraw/zinc/21/89/84/1000218984.db2.gz GEMGYOSPTKUDGH-YRXWBPOGSA-N 1 2 373.541 2.549 20 30 FFEDLO CC[C@@H]1CCCCN1C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109262244 1000218990 /nfs/dbraw/zinc/21/89/90/1000218990.db2.gz GEMGYOSPTKUDGH-YRXWBPOGSA-N 1 2 373.541 2.549 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F)C1CC1 ZINC001109293874 1000239874 /nfs/dbraw/zinc/23/98/74/1000239874.db2.gz JOQNZDGCZUEQOR-BTHPGYMESA-N 1 2 371.456 2.734 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F)C1CC1 ZINC001109293874 1000239877 /nfs/dbraw/zinc/23/98/77/1000239877.db2.gz JOQNZDGCZUEQOR-BTHPGYMESA-N 1 2 371.456 2.734 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)(C)C ZINC001109329534 1000278568 /nfs/dbraw/zinc/27/85/68/1000278568.db2.gz ZDLWBWYMIUXNKP-SQNIBIBYSA-N 1 2 361.530 2.639 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)(C)C ZINC001109329534 1000278574 /nfs/dbraw/zinc/27/85/74/1000278574.db2.gz ZDLWBWYMIUXNKP-SQNIBIBYSA-N 1 2 361.530 2.639 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C)n(C)n1 ZINC001109335215 1000284451 /nfs/dbraw/zinc/28/44/51/1000284451.db2.gz MWIGLVIVVDPYEB-PMPSAXMXSA-N 1 2 350.894 2.729 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C)n(C)n1 ZINC001109335215 1000284459 /nfs/dbraw/zinc/28/44/59/1000284459.db2.gz MWIGLVIVVDPYEB-PMPSAXMXSA-N 1 2 350.894 2.729 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nn(C)c1Cl ZINC001109351178 1000296941 /nfs/dbraw/zinc/29/69/41/1000296941.db2.gz QJUOGSJLXJMRSV-KBMXLJTQSA-N 1 2 350.894 2.960 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nn(C)c1Cl ZINC001109351178 1000296944 /nfs/dbraw/zinc/29/69/44/1000296944.db2.gz QJUOGSJLXJMRSV-KBMXLJTQSA-N 1 2 350.894 2.960 20 30 FFEDLO N#CCn1c(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)nc2ccccc2c1=O ZINC000768557505 1000298027 /nfs/dbraw/zinc/29/80/27/1000298027.db2.gz VLDLDGPIBMADIG-SFHVURJKSA-N 1 2 373.460 2.997 20 30 FFEDLO N#CCn1c(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)nc2ccccc2c1=O ZINC000768557505 1000298032 /nfs/dbraw/zinc/29/80/32/1000298032.db2.gz VLDLDGPIBMADIG-SFHVURJKSA-N 1 2 373.460 2.997 20 30 FFEDLO COCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CC1 ZINC001109387585 1000366457 /nfs/dbraw/zinc/36/64/57/1000366457.db2.gz UZQNPHFCQWRKHK-QYZOEREBSA-N 1 2 353.466 2.596 20 30 FFEDLO COCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CC1 ZINC001109387585 1000366464 /nfs/dbraw/zinc/36/64/64/1000366464.db2.gz UZQNPHFCQWRKHK-QYZOEREBSA-N 1 2 353.466 2.596 20 30 FFEDLO C=C[C@@H]1C[C@]1([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1)C(=O)OCC ZINC001171250653 1000422229 /nfs/dbraw/zinc/42/22/29/1000422229.db2.gz YCBRPIDIGLYWLZ-QXUDDUFSSA-N 1 2 368.477 2.920 20 30 FFEDLO C=C[C@H]1C[C@]1([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1)C(=O)OCC ZINC001171250654 1000422304 /nfs/dbraw/zinc/42/23/04/1000422304.db2.gz YCBRPIDIGLYWLZ-RPMVARBQSA-N 1 2 368.477 2.920 20 30 FFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccco1 ZINC000769961096 1000635358 /nfs/dbraw/zinc/63/53/58/1000635358.db2.gz JBNTVVGASSUCGV-BEFAXECRSA-N 1 2 365.433 2.919 20 30 FFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccco1 ZINC000769961096 1000635363 /nfs/dbraw/zinc/63/53/63/1000635363.db2.gz JBNTVVGASSUCGV-BEFAXECRSA-N 1 2 365.433 2.919 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1ccco1 ZINC001109634608 1000735682 /nfs/dbraw/zinc/73/56/82/1000735682.db2.gz ROXMIWQDWNVJJA-NBMJBFSESA-N 1 2 373.497 2.562 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1ccco1 ZINC001109634608 1000735686 /nfs/dbraw/zinc/73/56/86/1000735686.db2.gz ROXMIWQDWNVJJA-NBMJBFSESA-N 1 2 373.497 2.562 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccccc2n1C ZINC001109627124 1000740062 /nfs/dbraw/zinc/74/00/62/1000740062.db2.gz AVFMHBGBNMLNTQ-KPFFTGBYSA-N 1 2 364.493 2.988 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccccc2n1C ZINC001109627124 1000740068 /nfs/dbraw/zinc/74/00/68/1000740068.db2.gz AVFMHBGBNMLNTQ-KPFFTGBYSA-N 1 2 364.493 2.988 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cn(C)nc1C(F)F ZINC001109627484 1000741578 /nfs/dbraw/zinc/74/15/78/1000741578.db2.gz UFDCRCNGEBFLGM-PMPSAXMXSA-N 1 2 364.440 2.773 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cn(C)nc1C(F)F ZINC001109627484 1000741584 /nfs/dbraw/zinc/74/15/84/1000741584.db2.gz UFDCRCNGEBFLGM-PMPSAXMXSA-N 1 2 364.440 2.773 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)C(C)C)CCC1 ZINC001109683174 1000840040 /nfs/dbraw/zinc/84/00/40/1000840040.db2.gz ACRWDQYVXHZVBV-MHORFTMASA-N 1 2 361.530 2.615 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)C(C)C)CCC1 ZINC001109683174 1000840046 /nfs/dbraw/zinc/84/00/46/1000840046.db2.gz ACRWDQYVXHZVBV-MHORFTMASA-N 1 2 361.530 2.615 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)C(C)C ZINC001109679310 1000853164 /nfs/dbraw/zinc/85/31/64/1000853164.db2.gz VRMNFMHSBBXSFK-DFEOGRTESA-N 1 2 370.559 2.524 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)C(C)C ZINC001109679310 1000853170 /nfs/dbraw/zinc/85/31/70/1000853170.db2.gz VRMNFMHSBBXSFK-DFEOGRTESA-N 1 2 370.559 2.524 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CNc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001109983850 1001242060 /nfs/dbraw/zinc/24/20/60/1001242060.db2.gz AFQJNHFXECHBIB-IKGGRYGDSA-N 1 2 358.486 2.806 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cc(F)ccc1F)C2 ZINC001110019053 1001321310 /nfs/dbraw/zinc/32/13/10/1001321310.db2.gz CTQHFINCDQJFIL-SNPRPXQTSA-N 1 2 356.800 2.818 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cc(F)ccc1F)C2 ZINC001110019053 1001321318 /nfs/dbraw/zinc/32/13/18/1001321318.db2.gz CTQHFINCDQJFIL-SNPRPXQTSA-N 1 2 356.800 2.818 20 30 FFEDLO COCC#CC[NH+]1CCN(Cc2csc(-c3ccc(OC)cc3)n2)CC1 ZINC000677818891 1016504651 /nfs/dbraw/zinc/50/46/51/1016504651.db2.gz KUAYTDMSTVVFMN-UHFFFAOYSA-N 1 2 371.506 2.586 20 30 FFEDLO CC[NH+](CC)[C@H](C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000787698861 1001707549 /nfs/dbraw/zinc/70/75/49/1001707549.db2.gz VXRMVRPWKYJULM-RDJZCZTQSA-N 1 2 357.454 2.564 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)on1 ZINC001096776009 1016534200 /nfs/dbraw/zinc/53/42/00/1016534200.db2.gz LOALZZWUWCLCGJ-KURKYZTESA-N 1 2 353.397 2.509 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)on1 ZINC001096776009 1016534210 /nfs/dbraw/zinc/53/42/10/1016534210.db2.gz LOALZZWUWCLCGJ-KURKYZTESA-N 1 2 353.397 2.509 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)SC)C2 ZINC001110313360 1001929388 /nfs/dbraw/zinc/92/93/88/1001929388.db2.gz HUYXEQOTZXNURN-YYQUZTFQSA-N 1 2 359.495 2.540 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)SC)C2 ZINC001110313360 1001929393 /nfs/dbraw/zinc/92/93/93/1001929393.db2.gz HUYXEQOTZXNURN-YYQUZTFQSA-N 1 2 359.495 2.540 20 30 FFEDLO C=C(C)CN1CC2(C[NH+](Cc3c(C)cc(OC)c(C)c3C)C2)OCC1=O ZINC001276212521 1016551218 /nfs/dbraw/zinc/55/12/18/1016551218.db2.gz DGMMKQVKBNFQCY-UHFFFAOYSA-N 1 2 358.482 2.610 20 30 FFEDLO Cc1nc(N2CC[C@@H]3CN(C(=O)CC#Cc4ccccc4)C[C@@H]3C2)cc[nH+]1 ZINC001091855379 1001998530 /nfs/dbraw/zinc/99/85/30/1001998530.db2.gz XDMPBHCFIDBFLH-UXHICEINSA-N 1 2 360.461 2.512 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnn(C)c2C)C1 ZINC001086575183 1002103358 /nfs/dbraw/zinc/10/33/58/1002103358.db2.gz DVMCXPPXPRTEIE-ZWKOTPCHSA-N 1 2 358.873 2.679 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnn(C)c2C)C1 ZINC001086575183 1002103363 /nfs/dbraw/zinc/10/33/63/1002103363.db2.gz DVMCXPPXPRTEIE-ZWKOTPCHSA-N 1 2 358.873 2.679 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)C/C(C)=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000789761985 1002181007 /nfs/dbraw/zinc/18/10/07/1002181007.db2.gz OHZYKNDKFPTMJX-LGMDPLHJSA-N 1 2 368.437 2.976 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)C/C(C)=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000789761985 1002181016 /nfs/dbraw/zinc/18/10/16/1002181016.db2.gz OHZYKNDKFPTMJX-LGMDPLHJSA-N 1 2 368.437 2.976 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)o3)C[C@@]2(C)C1 ZINC001091978596 1002239935 /nfs/dbraw/zinc/23/99/35/1002239935.db2.gz WZXPYEOVDRSBGK-YSGRDPCXSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)o3)C[C@@]2(C)C1 ZINC001091978596 1002239945 /nfs/dbraw/zinc/23/99/45/1002239945.db2.gz WZXPYEOVDRSBGK-YSGRDPCXSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001086581521 1002262619 /nfs/dbraw/zinc/26/26/19/1002262619.db2.gz CMWWIJQLCDFVMX-FUHWJXTLSA-N 1 2 354.841 2.837 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001086581521 1002262625 /nfs/dbraw/zinc/26/26/25/1002262625.db2.gz CMWWIJQLCDFVMX-FUHWJXTLSA-N 1 2 354.841 2.837 20 30 FFEDLO CC(C)C[C@H](C(=O)N[C@H]1CCN(c2ccc(C#N)nc2)[C@@H]1C)n1cc[nH+]c1 ZINC001092024104 1002303792 /nfs/dbraw/zinc/30/37/92/1002303792.db2.gz GAKZZYDMYWLVFD-AYOQOUSVSA-N 1 2 366.469 2.521 20 30 FFEDLO CO[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)[C@H](C)C1 ZINC001183835569 1002405047 /nfs/dbraw/zinc/40/50/47/1002405047.db2.gz NAMYIYPIMFLMAF-AHRSYUTCSA-N 1 2 355.482 2.939 20 30 FFEDLO CO[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)[C@H](C)C1 ZINC001183835569 1002405054 /nfs/dbraw/zinc/40/50/54/1002405054.db2.gz NAMYIYPIMFLMAF-AHRSYUTCSA-N 1 2 355.482 2.939 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(Cl)cc2)[nH]n1 ZINC001096848067 1016631801 /nfs/dbraw/zinc/63/18/01/1016631801.db2.gz VTNNNSYSIZBZDQ-LMMKCTJWSA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(Cl)cc2)[nH]n1 ZINC001096848067 1016631808 /nfs/dbraw/zinc/63/18/08/1016631808.db2.gz VTNNNSYSIZBZDQ-LMMKCTJWSA-N 1 2 368.868 2.758 20 30 FFEDLO CCC[C@@H](C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C#N)nc2)C1 ZINC001092313785 1002662574 /nfs/dbraw/zinc/66/25/74/1002662574.db2.gz QIDNJIPZNMITQC-ZTFGCOKTSA-N 1 2 366.469 2.529 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110352150 1002690403 /nfs/dbraw/zinc/69/04/03/1002690403.db2.gz VHOSZANTKSLZNH-JRJVTICQSA-N 1 2 373.472 2.980 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110352150 1002690411 /nfs/dbraw/zinc/69/04/11/1002690411.db2.gz VHOSZANTKSLZNH-JRJVTICQSA-N 1 2 373.472 2.980 20 30 FFEDLO C[C@H](c1nnc(Sc2ccnc(C#N)n2)n1-c1ccc(F)cc1)[NH+](C)C ZINC001184687794 1002700634 /nfs/dbraw/zinc/70/06/34/1002700634.db2.gz AQBFFBZUHJWKHS-LLVKDONJSA-N 1 2 369.429 2.842 20 30 FFEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1)c1nccn12 ZINC001092402632 1002778260 /nfs/dbraw/zinc/77/82/60/1002778260.db2.gz RRMAAQIHHYSKND-OTWHNJEPSA-N 1 2 362.477 2.753 20 30 FFEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)c1nccn12 ZINC001092404410 1002779210 /nfs/dbraw/zinc/77/92/10/1002779210.db2.gz VLZVBPWGCLLMGY-OPYAIIAOSA-N 1 2 362.477 2.835 20 30 FFEDLO CC(=O)N1CC[NH+](Cc2ccccc2N=Cc2cccc(O)c2O)CC1 ZINC000780149340 1016677095 /nfs/dbraw/zinc/67/70/95/1016677095.db2.gz MTMBFAKEEKNPNY-UHFFFAOYSA-N 1 2 353.422 2.513 20 30 FFEDLO Cc1n[nH]c(C(=O)NC[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)c1C ZINC001092514593 1003026269 /nfs/dbraw/zinc/02/62/69/1003026269.db2.gz PPEJSTMBYZYVCU-SJKOYZFVSA-N 1 2 369.444 2.535 20 30 FFEDLO Cc1n[nH]c(C(=O)NC[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)c1C ZINC001092514593 1003026277 /nfs/dbraw/zinc/02/62/77/1003026277.db2.gz PPEJSTMBYZYVCU-SJKOYZFVSA-N 1 2 369.444 2.535 20 30 FFEDLO C=CCO[C@@H](C)C(=O)NCC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001092526011 1003058219 /nfs/dbraw/zinc/05/82/19/1003058219.db2.gz SXNIZJKPUDUEGN-RPVQJOFSSA-N 1 2 360.502 2.572 20 30 FFEDLO Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)c1 ZINC001096913116 1016727574 /nfs/dbraw/zinc/72/75/74/1016727574.db2.gz YXKMNWUPFNBGTI-NJYVYQBISA-N 1 2 363.436 2.916 20 30 FFEDLO Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)c1 ZINC001096913116 1016727587 /nfs/dbraw/zinc/72/75/87/1016727587.db2.gz YXKMNWUPFNBGTI-NJYVYQBISA-N 1 2 363.436 2.916 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001092591878 1003185775 /nfs/dbraw/zinc/18/57/75/1003185775.db2.gz DZLUGKQDTBPVGI-LBKNJMOBSA-N 1 2 372.513 2.735 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H](CNc2nc(C)[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001092645659 1003287032 /nfs/dbraw/zinc/28/70/32/1003287032.db2.gz UCCNTJBKECGOEI-NVXWUHKLSA-N 1 2 354.498 2.974 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095560792 1016756516 /nfs/dbraw/zinc/75/65/16/1016756516.db2.gz ATKJQXKNNLZGQX-LYGKUDJVSA-N 1 2 371.456 2.734 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095560792 1016756520 /nfs/dbraw/zinc/75/65/20/1016756520.db2.gz ATKJQXKNNLZGQX-LYGKUDJVSA-N 1 2 371.456 2.734 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001095561087 1016759572 /nfs/dbraw/zinc/75/95/72/1016759572.db2.gz QRAYVUBOHXXKBB-TZMRYXNNSA-N 1 2 370.468 2.714 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001095561087 1016759585 /nfs/dbraw/zinc/75/95/85/1016759585.db2.gz QRAYVUBOHXXKBB-TZMRYXNNSA-N 1 2 370.468 2.714 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001092622247 1003324289 /nfs/dbraw/zinc/32/42/89/1003324289.db2.gz BXSPOOLKJGILKS-MDYRTPRTSA-N 1 2 360.502 2.910 20 30 FFEDLO C[C@@H]1C(=O)N(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)[C@H]1c1ccccc1 ZINC000793588757 1003431216 /nfs/dbraw/zinc/43/12/16/1003431216.db2.gz DOEAYTGIQDYMQY-QKYXUNIQSA-N 1 2 362.433 2.583 20 30 FFEDLO C[C@@H]1C(=O)N(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)[C@H]1c1ccccc1 ZINC000793588757 1003431218 /nfs/dbraw/zinc/43/12/18/1003431218.db2.gz DOEAYTGIQDYMQY-QKYXUNIQSA-N 1 2 362.433 2.583 20 30 FFEDLO COc1ccc(CNC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc1C#N ZINC000793707289 1003480735 /nfs/dbraw/zinc/48/07/35/1003480735.db2.gz KFVBMHOWODZOKA-UHFFFAOYSA-N 1 2 370.359 2.820 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@](C)(CC)CCCCC)[C@@H](n2ccnn2)C1 ZINC001129470883 1003660311 /nfs/dbraw/zinc/66/03/11/1003660311.db2.gz PUNKICGGLXBQQT-WSTZPKSXSA-N 1 2 359.518 2.640 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@](C)(CC)CCCCC)[C@@H](n2ccnn2)C1 ZINC001129470883 1003660317 /nfs/dbraw/zinc/66/03/17/1003660317.db2.gz PUNKICGGLXBQQT-WSTZPKSXSA-N 1 2 359.518 2.640 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000804454856 1003669675 /nfs/dbraw/zinc/66/96/75/1003669675.db2.gz VKZJARZPEUFGLY-NHCUHLMSSA-N 1 2 356.510 2.874 20 30 FFEDLO CCc1ccc([C@H]2CN(S(=O)(=O)c3c(C)cccc3C#N)CC[NH2+]2)cc1 ZINC001196229711 1003722067 /nfs/dbraw/zinc/72/20/67/1003722067.db2.gz SSJRXBOUOJNJHN-LJQANCHMSA-N 1 2 369.490 2.764 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc3ccccc3o2)C[C@H]1O ZINC001196475300 1003780879 /nfs/dbraw/zinc/78/08/79/1003780879.db2.gz RRIWXJCPMANDFQ-FVQBIDKESA-N 1 2 357.454 2.652 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc3ccccc3o2)C[C@H]1O ZINC001196475300 1003780884 /nfs/dbraw/zinc/78/08/84/1003780884.db2.gz RRIWXJCPMANDFQ-FVQBIDKESA-N 1 2 357.454 2.652 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000804809755 1003851278 /nfs/dbraw/zinc/85/12/78/1003851278.db2.gz LKFFDXYWQXDUAF-RTBURBONSA-N 1 2 350.466 2.732 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000804809755 1003851292 /nfs/dbraw/zinc/85/12/92/1003851292.db2.gz LKFFDXYWQXDUAF-RTBURBONSA-N 1 2 350.466 2.732 20 30 FFEDLO CC[C@H](CC1CCCC1)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001196591510 1003870038 /nfs/dbraw/zinc/87/00/38/1003870038.db2.gz ZYUHJYYQNZRYTH-YPAWHYETSA-N 1 2 368.521 2.806 20 30 FFEDLO CC[C@H](CC1CCCC1)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001196591510 1003870050 /nfs/dbraw/zinc/87/00/50/1003870050.db2.gz ZYUHJYYQNZRYTH-YPAWHYETSA-N 1 2 368.521 2.806 20 30 FFEDLO Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2C#N)n(-c2cc[nH+]cc2)n1 ZINC001196651908 1003903090 /nfs/dbraw/zinc/90/30/90/1003903090.db2.gz MFGWDNFQZGVIAE-UHFFFAOYSA-N 1 2 373.825 2.902 20 30 FFEDLO Cc1cccn2c(CNS(=O)(=O)c3cc(Cl)ccc3C#N)c[nH+]c12 ZINC001196691213 1003935100 /nfs/dbraw/zinc/93/51/00/1003935100.db2.gz HVTWRDOLUSDSDL-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](Cc3cc(C)ns3)C[C@H]2O)CCCCC1 ZINC001196860545 1003994202 /nfs/dbraw/zinc/99/42/02/1003994202.db2.gz MGMGPLKIVVDETN-IAGOWNOFSA-N 1 2 363.527 2.639 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ns3)C[C@H]2O)CCCCC1 ZINC001196860545 1003994212 /nfs/dbraw/zinc/99/42/12/1003994212.db2.gz MGMGPLKIVVDETN-IAGOWNOFSA-N 1 2 363.527 2.639 20 30 FFEDLO CCc1oc(C(=O)OC)cc1C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC001197040917 1004044099 /nfs/dbraw/zinc/04/40/99/1004044099.db2.gz AOXQMBLCWRJUPP-UHFFFAOYSA-N 1 2 371.412 2.962 20 30 FFEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCN(C4CCCCC4)C3=O)CC2)cc1 ZINC001197031047 1004054703 /nfs/dbraw/zinc/05/47/03/1004054703.db2.gz HDPKVHXUBYNNAI-HXUWFJFHSA-N 1 2 352.482 2.614 20 30 FFEDLO C#C[C@H](NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)[C@H]1CCCO1 ZINC000775518396 1004116945 /nfs/dbraw/zinc/11/69/45/1004116945.db2.gz FRXQPZMPTXXOFG-ZTTFOMCMSA-N 1 2 371.481 2.598 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)Cc2c3ccc(C)cc3oc2C(C)=O)CC1 ZINC000806593691 1004366953 /nfs/dbraw/zinc/36/69/53/1004366953.db2.gz KAEKYOBSSXZDRY-UHFFFAOYSA-N 1 2 352.434 2.654 20 30 FFEDLO CCCCCC[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001197805386 1004371264 /nfs/dbraw/zinc/37/12/64/1004371264.db2.gz RMNWPNLCASGKSX-IPMKNSEASA-N 1 2 361.461 2.528 20 30 FFEDLO CCCCCC[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001197805386 1004371274 /nfs/dbraw/zinc/37/12/74/1004371274.db2.gz RMNWPNLCASGKSX-IPMKNSEASA-N 1 2 361.461 2.528 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)ns1 ZINC001097007357 1016883874 /nfs/dbraw/zinc/88/38/74/1016883874.db2.gz HCPAUXBXTNIJMB-LMMKCTJWSA-N 1 2 351.475 2.838 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)ns1 ZINC001097007357 1016883889 /nfs/dbraw/zinc/88/38/89/1016883889.db2.gz HCPAUXBXTNIJMB-LMMKCTJWSA-N 1 2 351.475 2.838 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1O ZINC001198095948 1004479642 /nfs/dbraw/zinc/47/96/42/1004479642.db2.gz AGPWYLIJSYDIHU-RTBURBONSA-N 1 2 362.518 2.587 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1O ZINC001198095948 1004479645 /nfs/dbraw/zinc/47/96/45/1004479645.db2.gz AGPWYLIJSYDIHU-RTBURBONSA-N 1 2 362.518 2.587 20 30 FFEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001193674971 1004546404 /nfs/dbraw/zinc/54/64/04/1004546404.db2.gz NHFLZCYEYGGKAY-VQTJNVASSA-N 1 2 352.434 2.698 20 30 FFEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001193674971 1004546410 /nfs/dbraw/zinc/54/64/10/1004546410.db2.gz NHFLZCYEYGGKAY-VQTJNVASSA-N 1 2 352.434 2.698 20 30 FFEDLO COc1ccc(C#N)c(S(=O)(=O)Nc2ccccc2C[NH+]2CCCC2)c1 ZINC001193680182 1004548591 /nfs/dbraw/zinc/54/85/91/1004548591.db2.gz AJQMZGVWVMCEHQ-UHFFFAOYSA-N 1 2 371.462 2.963 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC2CCCCC2)C1 ZINC001198338221 1004583184 /nfs/dbraw/zinc/58/31/84/1004583184.db2.gz YATKEVROIMWXRC-WOJBJXKFSA-N 1 2 355.482 2.580 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC2CCCCC2)C1 ZINC001198338221 1004583194 /nfs/dbraw/zinc/58/31/94/1004583194.db2.gz YATKEVROIMWXRC-WOJBJXKFSA-N 1 2 355.482 2.580 20 30 FFEDLO C#CC[N@@H+](CN1C(=O)C(C)(C)[C@@H]1c1cnn(C)c1)[C@@H]1CCc2ccccc21 ZINC000808140904 1004757599 /nfs/dbraw/zinc/75/75/99/1004757599.db2.gz QVDNAIQPAGFAAH-UXHICEINSA-N 1 2 362.477 2.910 20 30 FFEDLO C#CC[N@H+](CN1C(=O)C(C)(C)[C@@H]1c1cnn(C)c1)[C@@H]1CCc2ccccc21 ZINC000808140904 1004757602 /nfs/dbraw/zinc/75/76/02/1004757602.db2.gz QVDNAIQPAGFAAH-UXHICEINSA-N 1 2 362.477 2.910 20 30 FFEDLO CCCCCCCCOC(=O)N1CCC2(CC1)C(=O)N(C)CC[N@H+]2C ZINC001194737613 1004796803 /nfs/dbraw/zinc/79/68/03/1004796803.db2.gz KPMYILPANSROTO-UHFFFAOYSA-N 1 2 353.507 2.722 20 30 FFEDLO CCCCCCCCOC(=O)N1CCC2(CC1)C(=O)N(C)CC[N@@H+]2C ZINC001194737613 1004796807 /nfs/dbraw/zinc/79/68/07/1004796807.db2.gz KPMYILPANSROTO-UHFFFAOYSA-N 1 2 353.507 2.722 20 30 FFEDLO CC[N@@H+](Cc1ccccc1)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000101535363 1004858513 /nfs/dbraw/zinc/85/85/13/1004858513.db2.gz KCRVASDFMIITRA-NRFANRHFSA-N 1 2 362.433 2.805 20 30 FFEDLO CC[N@H+](Cc1ccccc1)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000101535363 1004858517 /nfs/dbraw/zinc/85/85/17/1004858517.db2.gz KCRVASDFMIITRA-NRFANRHFSA-N 1 2 362.433 2.805 20 30 FFEDLO CCCC(CCC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001195684390 1005014839 /nfs/dbraw/zinc/01/48/39/1005014839.db2.gz YUBZNSYOKIXAEP-RTBURBONSA-N 1 2 361.461 2.575 20 30 FFEDLO CCCC(CCC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001195684390 1005014841 /nfs/dbraw/zinc/01/48/41/1005014841.db2.gz YUBZNSYOKIXAEP-RTBURBONSA-N 1 2 361.461 2.575 20 30 FFEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@@H](O)c1cccc(C#N)c1 ZINC001195876000 1005067109 /nfs/dbraw/zinc/06/71/09/1005067109.db2.gz DMAUVACKZFQZNM-GOSISDBHSA-N 1 2 368.824 2.687 20 30 FFEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@@H](O)c1cccc(C#N)c1 ZINC001195876000 1005067115 /nfs/dbraw/zinc/06/71/15/1005067115.db2.gz DMAUVACKZFQZNM-GOSISDBHSA-N 1 2 368.824 2.687 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F)C(C)C ZINC001110547377 1005081000 /nfs/dbraw/zinc/08/10/00/1005081000.db2.gz JMSKDDXAZWNTRG-LMCOJAPRSA-N 1 2 373.472 2.980 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F)C(C)C ZINC001110547377 1005081004 /nfs/dbraw/zinc/08/10/04/1005081004.db2.gz JMSKDDXAZWNTRG-LMCOJAPRSA-N 1 2 373.472 2.980 20 30 FFEDLO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3cccc(F)c3)C2)cc1C#N ZINC001201334617 1005202803 /nfs/dbraw/zinc/20/28/03/1005202803.db2.gz CBKWABOWGDGVQV-SFHVURJKSA-N 1 2 373.453 2.559 20 30 FFEDLO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3cccc(F)c3)C2)cc1C#N ZINC001201334617 1005202806 /nfs/dbraw/zinc/20/28/06/1005202806.db2.gz CBKWABOWGDGVQV-SFHVURJKSA-N 1 2 373.453 2.559 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C(C)C ZINC001110594458 1005388820 /nfs/dbraw/zinc/38/88/20/1005388820.db2.gz WMPMCBIXYUCUSH-AITUJVMLSA-N 1 2 361.530 2.637 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C(C)C ZINC001110594458 1005388823 /nfs/dbraw/zinc/38/88/23/1005388823.db2.gz WMPMCBIXYUCUSH-AITUJVMLSA-N 1 2 361.530 2.637 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@@H+]1CC(=O)Nc1c(C)cccc1C ZINC001489114635 1005412217 /nfs/dbraw/zinc/41/22/17/1005412217.db2.gz NZAGMVSXQDCPJV-RBUKOAKNSA-N 1 2 367.493 2.624 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@H+]1CC(=O)Nc1c(C)cccc1C ZINC001489114635 1005412219 /nfs/dbraw/zinc/41/22/19/1005412219.db2.gz NZAGMVSXQDCPJV-RBUKOAKNSA-N 1 2 367.493 2.624 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC)CC[C@@H]1c1ccccc1 ZINC001489094701 1005418538 /nfs/dbraw/zinc/41/85/38/1005418538.db2.gz VSKOABGOWAHPAI-RTBURBONSA-N 1 2 371.525 2.699 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC)CC[C@@H]1c1ccccc1 ZINC001489094701 1005418540 /nfs/dbraw/zinc/41/85/40/1005418540.db2.gz VSKOABGOWAHPAI-RTBURBONSA-N 1 2 371.525 2.699 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001110599012 1005429458 /nfs/dbraw/zinc/42/94/58/1005429458.db2.gz WPEHWHAQAXFVRU-QRVBRYPASA-N 1 2 369.509 2.973 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001110599012 1005429460 /nfs/dbraw/zinc/42/94/60/1005429460.db2.gz WPEHWHAQAXFVRU-QRVBRYPASA-N 1 2 369.509 2.973 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC(C)(C)C ZINC001110599072 1005430354 /nfs/dbraw/zinc/43/03/54/1005430354.db2.gz ZONSQDGKGFXQRD-ZACQAIPSSA-N 1 2 363.546 2.863 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC(C)(C)C ZINC001110599072 1005430356 /nfs/dbraw/zinc/43/03/56/1005430356.db2.gz ZONSQDGKGFXQRD-ZACQAIPSSA-N 1 2 363.546 2.863 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@@H+]1Cc1ncc(-c2ccccc2F)o1 ZINC001489264917 1005443623 /nfs/dbraw/zinc/44/36/23/1005443623.db2.gz ODAUMIQJZCYYJB-KDOFPFPSSA-N 1 2 367.424 2.973 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@H+]1Cc1ncc(-c2ccccc2F)o1 ZINC001489264917 1005443625 /nfs/dbraw/zinc/44/36/25/1005443625.db2.gz ODAUMIQJZCYYJB-KDOFPFPSSA-N 1 2 367.424 2.973 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@H]1CC ZINC001490006582 1005631416 /nfs/dbraw/zinc/63/14/16/1005631416.db2.gz LOALTRPCVZQZCM-DLBZAZTESA-N 1 2 366.465 2.637 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cn(C)nc1C(F)F ZINC001110609443 1005645345 /nfs/dbraw/zinc/64/53/45/1005645345.db2.gz FZVKLUXEKASHTP-KFWWJZLASA-N 1 2 352.429 2.936 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cn(C)nc1C(F)F ZINC001110609443 1005645347 /nfs/dbraw/zinc/64/53/47/1005645347.db2.gz FZVKLUXEKASHTP-KFWWJZLASA-N 1 2 352.429 2.936 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NCC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001490456030 1005731221 /nfs/dbraw/zinc/73/12/21/1005731221.db2.gz JGOBMVGLPRWCCY-QINHECLXSA-N 1 2 360.502 2.545 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCn1cc[nH+]c1 ZINC001490674582 1005751598 /nfs/dbraw/zinc/75/15/98/1005751598.db2.gz JRKQXZFVYGDMPE-IKGGRYGDSA-N 1 2 358.486 2.514 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN([C@H](C#N)c3ccccc3)C2)CC1 ZINC000852044235 1005936117 /nfs/dbraw/zinc/93/61/17/1005936117.db2.gz AMQMDMBFTFKKJI-RTBURBONSA-N 1 2 370.497 2.878 20 30 FFEDLO COCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)CC1 ZINC001110645862 1005956556 /nfs/dbraw/zinc/95/65/56/1005956556.db2.gz QGPIPSKWDMKXJA-AQNXPRMDSA-N 1 2 370.468 2.715 20 30 FFEDLO COCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)CC1 ZINC001110645862 1005956559 /nfs/dbraw/zinc/95/65/59/1005956559.db2.gz QGPIPSKWDMKXJA-AQNXPRMDSA-N 1 2 370.468 2.715 20 30 FFEDLO C[C@@H](O[NH+]=C(N)c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000852299594 1005966098 /nfs/dbraw/zinc/96/60/98/1005966098.db2.gz VOPJQCAUBXJVEM-GFCCVEGCSA-N 1 2 373.384 2.651 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001187226678 1005966314 /nfs/dbraw/zinc/96/63/14/1005966314.db2.gz YCLCHQISVMHSGH-HLLBOEOZSA-N 1 2 363.527 2.719 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001187226678 1005966319 /nfs/dbraw/zinc/96/63/19/1005966319.db2.gz YCLCHQISVMHSGH-HLLBOEOZSA-N 1 2 363.527 2.719 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(-c4ccc(F)cc4)o3)C[C@H]21 ZINC001187209886 1005979023 /nfs/dbraw/zinc/97/90/23/1005979023.db2.gz QTKSARBUSUMQMY-DOTOQJQBSA-N 1 2 370.428 2.875 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3nnc(-c4ccc(F)cc4)o3)C[C@H]21 ZINC001187209886 1005979033 /nfs/dbraw/zinc/97/90/33/1005979033.db2.gz QTKSARBUSUMQMY-DOTOQJQBSA-N 1 2 370.428 2.875 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccc(C)c(F)c3)C[C@H]21 ZINC001187210731 1005979850 /nfs/dbraw/zinc/97/98/50/1005979850.db2.gz XXQCQFCSMBMJNA-MAUKXSAKSA-N 1 2 359.445 2.572 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccc(C)c(F)c3)C[C@H]21 ZINC001187210731 1005979859 /nfs/dbraw/zinc/97/98/59/1005979859.db2.gz XXQCQFCSMBMJNA-MAUKXSAKSA-N 1 2 359.445 2.572 20 30 FFEDLO CCCCOCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187424440 1006071719 /nfs/dbraw/zinc/07/17/19/1006071719.db2.gz GZZZUKXESUAXQU-QFBILLFUSA-N 1 2 359.445 2.547 20 30 FFEDLO CCCCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187424440 1006071730 /nfs/dbraw/zinc/07/17/30/1006071730.db2.gz GZZZUKXESUAXQU-QFBILLFUSA-N 1 2 359.445 2.547 20 30 FFEDLO Cc1ccc(N2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c(C)c1 ZINC000852742864 1006164242 /nfs/dbraw/zinc/16/42/42/1006164242.db2.gz ONOJSUGUJFTUGZ-WIYYLYMNSA-N 1 2 356.514 2.868 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nc(-c4ccco4)no3)C[C@H]21 ZINC001187827305 1006284895 /nfs/dbraw/zinc/28/48/95/1006284895.db2.gz DKTGCMVLBWUCNP-OWCLPIDISA-N 1 2 368.437 2.583 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nc(-c4ccco4)no3)C[C@H]21 ZINC001187827305 1006284903 /nfs/dbraw/zinc/28/49/03/1006284903.db2.gz DKTGCMVLBWUCNP-OWCLPIDISA-N 1 2 368.437 2.583 20 30 FFEDLO Cc1ccc(N2CC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)[C@H](C)C2)cc1C ZINC000747969403 1006403684 /nfs/dbraw/zinc/40/36/84/1006403684.db2.gz NBVBEDZPTGTAPF-DYESRHJHSA-N 1 2 354.498 2.622 20 30 FFEDLO Cc1ccc(N2CC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)[C@H](C)C2)cc1C ZINC000747969403 1006403690 /nfs/dbraw/zinc/40/36/90/1006403690.db2.gz NBVBEDZPTGTAPF-DYESRHJHSA-N 1 2 354.498 2.622 20 30 FFEDLO C#CC[C@@H](Cc1ccccc1)Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000853616071 1006477262 /nfs/dbraw/zinc/47/72/62/1006477262.db2.gz RXSGYUBPKOJAQZ-SFHVURJKSA-N 1 2 350.466 2.874 20 30 FFEDLO C#CC[C@@H](Cc1ccccc1)Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000853616071 1006477288 /nfs/dbraw/zinc/47/72/88/1006477288.db2.gz RXSGYUBPKOJAQZ-SFHVURJKSA-N 1 2 350.466 2.874 20 30 FFEDLO C=CCn1c(-c2cccnc2)nn(CN(C)CCCn2cc[nH+]c2)c1=S ZINC000130592184 1006576819 /nfs/dbraw/zinc/57/68/19/1006576819.db2.gz UKKBLOJBXHDSQR-UHFFFAOYSA-N 1 2 369.498 2.838 20 30 FFEDLO Cc1ccc2sc(C[N@@H+]3[C@@H]4CC[C@H]3[C@H](NC(=O)[C@H](C)C#N)C4)nc2c1 ZINC001110401756 1006691863 /nfs/dbraw/zinc/69/18/63/1006691863.db2.gz NBMRCYNLRBNSRQ-KQTLUZQSSA-N 1 2 354.479 2.986 20 30 FFEDLO Cc1ccc2sc(C[N@H+]3[C@@H]4CC[C@H]3[C@H](NC(=O)[C@H](C)C#N)C4)nc2c1 ZINC001110401756 1006691866 /nfs/dbraw/zinc/69/18/66/1006691866.db2.gz NBMRCYNLRBNSRQ-KQTLUZQSSA-N 1 2 354.479 2.986 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3nnc(C)n3C3CC3)C[C@H]21 ZINC001188886222 1006786065 /nfs/dbraw/zinc/78/60/65/1006786065.db2.gz UYXDQVIXIRQNQH-UWWQBHOKSA-N 1 2 357.502 2.556 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(C)n3C3CC3)C[C@H]21 ZINC001188886222 1006786074 /nfs/dbraw/zinc/78/60/74/1006786074.db2.gz UYXDQVIXIRQNQH-UWWQBHOKSA-N 1 2 357.502 2.556 20 30 FFEDLO C[C@@H]1C[C@H](C)[N@H+](Cn2cccc(C#N)c2=O)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817376746 1007569642 /nfs/dbraw/zinc/56/96/42/1007569642.db2.gz CGROJSRUCROZMP-VYDXJSESSA-N 1 2 374.485 2.549 20 30 FFEDLO C[C@@H]1C[C@H](C)[N@@H+](Cn2cccc(C#N)c2=O)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817376746 1007569656 /nfs/dbraw/zinc/56/96/56/1007569656.db2.gz CGROJSRUCROZMP-VYDXJSESSA-N 1 2 374.485 2.549 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001190424964 1007636613 /nfs/dbraw/zinc/63/66/13/1007636613.db2.gz IWHQOEMKXWDTIQ-DOTOQJQBSA-N 1 2 363.527 2.721 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2C[N@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001190424964 1007636620 /nfs/dbraw/zinc/63/66/20/1007636620.db2.gz IWHQOEMKXWDTIQ-DOTOQJQBSA-N 1 2 363.527 2.721 20 30 FFEDLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2C[C@@H](O)CC2(C#N)CCC2)o1 ZINC000885960948 1007853690 /nfs/dbraw/zinc/85/36/90/1007853690.db2.gz QXRQMLRGUPHQLH-ZWKOTPCHSA-N 1 2 352.438 2.922 20 30 FFEDLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2C[C@@H](O)CC2(C#N)CCC2)o1 ZINC000885960948 1007853706 /nfs/dbraw/zinc/85/37/06/1007853706.db2.gz QXRQMLRGUPHQLH-ZWKOTPCHSA-N 1 2 352.438 2.922 20 30 FFEDLO C#Cc1ccccc1C(=O)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001191108673 1007893110 /nfs/dbraw/zinc/89/31/10/1007893110.db2.gz VXJQRRFGBUHJHG-UHFFFAOYSA-N 1 2 364.445 2.768 20 30 FFEDLO C#Cc1ccccc1C(=O)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001191108673 1007893120 /nfs/dbraw/zinc/89/31/20/1007893120.db2.gz VXJQRRFGBUHJHG-UHFFFAOYSA-N 1 2 364.445 2.768 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)c1c(C)n[nH]c1C)C2 ZINC001110744587 1008344601 /nfs/dbraw/zinc/34/46/01/1008344601.db2.gz HAELLFQSTHCZOM-UGGSBELWSA-N 1 2 350.894 2.994 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)c1c(C)n[nH]c1C)C2 ZINC001110744587 1008344604 /nfs/dbraw/zinc/34/46/04/1008344604.db2.gz HAELLFQSTHCZOM-UGGSBELWSA-N 1 2 350.894 2.994 20 30 FFEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1nc(OC)c(C#N)cc1F ZINC001206489499 1032309954 /nfs/dbraw/zinc/30/99/54/1032309954.db2.gz CFKMDSHYGQQWJO-UHFFFAOYSA-N 1 2 357.385 2.609 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(F)c(F)c2)C[C@H]1C ZINC001206509309 1032319413 /nfs/dbraw/zinc/31/94/13/1032319413.db2.gz JDTXVNAYUGXPOI-PBFPGSCMSA-N 1 2 365.424 2.695 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(F)c(F)c2)C[C@H]1C ZINC001206509309 1032319427 /nfs/dbraw/zinc/31/94/27/1032319427.db2.gz JDTXVNAYUGXPOI-PBFPGSCMSA-N 1 2 365.424 2.695 20 30 FFEDLO C[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000859228121 1008490470 /nfs/dbraw/zinc/49/04/70/1008490470.db2.gz PBPKVKWURQKTJX-IAGOWNOFSA-N 1 2 355.482 2.595 20 30 FFEDLO CC[N@H+](CCNC(=O)OC(C)(C)C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000859532454 1008548579 /nfs/dbraw/zinc/54/85/79/1008548579.db2.gz ZAAQRUIZLZFXKO-UHFFFAOYSA-N 1 2 364.446 2.553 20 30 FFEDLO CC[N@@H+](CCNC(=O)OC(C)(C)C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000859532454 1008548588 /nfs/dbraw/zinc/54/85/88/1008548588.db2.gz ZAAQRUIZLZFXKO-UHFFFAOYSA-N 1 2 364.446 2.553 20 30 FFEDLO COC(=O)c1ccc(C(=[NH2+])Nc2ccc(OC)c(C)c2C(=O)OC)cc1 ZINC001170985263 1008582070 /nfs/dbraw/zinc/58/20/70/1008582070.db2.gz PIDKWQKYAKYJSK-UHFFFAOYSA-N 1 2 356.378 2.614 20 30 FFEDLO N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(O)ccc2Cl)c[nH]1 ZINC001095337454 1008649250 /nfs/dbraw/zinc/64/92/50/1008649250.db2.gz XABITKIRBWYUKW-JLSDUUJJSA-N 1 2 370.840 2.781 20 30 FFEDLO N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(O)ccc2Cl)c[nH]1 ZINC001095337454 1008649252 /nfs/dbraw/zinc/64/92/52/1008649252.db2.gz XABITKIRBWYUKW-JLSDUUJJSA-N 1 2 370.840 2.781 20 30 FFEDLO Cc1[nH]c(C2CCN(CC(=O)N(C)C3(C#N)CCCCC3)CC2)[nH+]c1C ZINC000886669888 1008805311 /nfs/dbraw/zinc/80/53/11/1008805311.db2.gz GHUMAFQFHBQQOX-UHFFFAOYSA-N 1 2 357.502 2.891 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)ns1 ZINC001095359392 1008967783 /nfs/dbraw/zinc/96/77/83/1008967783.db2.gz HISRZDOCRKWUKH-HFTRVMKXSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)ns1 ZINC001095359392 1008967796 /nfs/dbraw/zinc/96/77/96/1008967796.db2.gz HISRZDOCRKWUKH-HFTRVMKXSA-N 1 2 370.453 2.998 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C[C@H]1C ZINC001206662112 1032376915 /nfs/dbraw/zinc/37/69/15/1032376915.db2.gz ADFHMJAVGGZSAG-XJKCOSOUSA-N 1 2 356.401 2.577 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C[C@H]1C ZINC001206662112 1032376921 /nfs/dbraw/zinc/37/69/21/1032376921.db2.gz ADFHMJAVGGZSAG-XJKCOSOUSA-N 1 2 356.401 2.577 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C[C@H]1C ZINC001206663121 1032378380 /nfs/dbraw/zinc/37/83/80/1032378380.db2.gz ZOFIMZZCIBNQHM-XJKCOSOUSA-N 1 2 356.401 2.577 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C[C@H]1C ZINC001206663121 1032378389 /nfs/dbraw/zinc/37/83/89/1032378389.db2.gz ZOFIMZZCIBNQHM-XJKCOSOUSA-N 1 2 356.401 2.577 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2csc(Br)c2)C[C@H]1C ZINC001206662501 1032379093 /nfs/dbraw/zinc/37/90/93/1032379093.db2.gz LZQLGUNZKZQSLW-CKYFFXLPSA-N 1 2 356.289 2.607 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2csc(Br)c2)C[C@H]1C ZINC001206662501 1032379100 /nfs/dbraw/zinc/37/91/00/1032379100.db2.gz LZQLGUNZKZQSLW-CKYFFXLPSA-N 1 2 356.289 2.607 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)C(=O)C(C)(C)C ZINC001206677473 1032383079 /nfs/dbraw/zinc/38/30/79/1032383079.db2.gz OASXQUUJVPZIPH-RHSMWYFYSA-N 1 2 360.885 2.743 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)C(=O)C(C)(C)C ZINC001206677473 1032383083 /nfs/dbraw/zinc/38/30/83/1032383083.db2.gz OASXQUUJVPZIPH-RHSMWYFYSA-N 1 2 360.885 2.743 20 30 FFEDLO Cc1cccn2cc(CC(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)[nH+]c12 ZINC000887728833 1009540060 /nfs/dbraw/zinc/54/00/60/1009540060.db2.gz BSOAHUNLKKYIFE-LJQANCHMSA-N 1 2 360.417 2.657 20 30 FFEDLO C=CCOCC(=O)N[C@]12CCC[C@H]1CN(c1cc(C)[nH+]c(C(C)C)n1)C2 ZINC001093069733 1009760216 /nfs/dbraw/zinc/76/02/16/1009760216.db2.gz WYHUGIVGLWTFNO-JXFKEZNVSA-N 1 2 358.486 2.586 20 30 FFEDLO Cc1cc(N2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)nc(C2CC2)[nH+]1 ZINC001093084590 1009806564 /nfs/dbraw/zinc/80/65/64/1009806564.db2.gz ONNZXUBGYQVSQN-UWJYYQICSA-N 1 2 350.466 2.551 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)c3ccccc3CC#N)C2)cc1 ZINC000826610876 1009865168 /nfs/dbraw/zinc/86/51/68/1009865168.db2.gz VTTITUQPVHBXOR-HXUWFJFHSA-N 1 2 363.461 2.692 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)c3ccccc3CC#N)C2)cc1 ZINC000826610876 1009865177 /nfs/dbraw/zinc/86/51/77/1009865177.db2.gz VTTITUQPVHBXOR-HXUWFJFHSA-N 1 2 363.461 2.692 20 30 FFEDLO CON=Cc1ccc(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)cc1 ZINC000862860181 1010020712 /nfs/dbraw/zinc/02/07/12/1010020712.db2.gz UIVHTUQYEVQNIA-UHFFFAOYSA-N 1 2 355.442 2.731 20 30 FFEDLO CCCC[C@H](CNc1ccc(C#N)nc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001114327111 1010101369 /nfs/dbraw/zinc/10/13/69/1010101369.db2.gz JDBAOLJNHRHYRP-BRWVUGGUSA-N 1 2 352.442 2.567 20 30 FFEDLO CCCC[C@H](CNc1ccc(C#N)nc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001114327111 1010101376 /nfs/dbraw/zinc/10/13/76/1010101376.db2.gz JDBAOLJNHRHYRP-BRWVUGGUSA-N 1 2 352.442 2.567 20 30 FFEDLO C#CC[NH+]1CCN(Cc2ccc(OC(=O)c3cccs3)c(OC)c2)CC1 ZINC001137258441 1010143114 /nfs/dbraw/zinc/14/31/14/1010143114.db2.gz LWSNBVUUDDVGPP-UHFFFAOYSA-N 1 2 370.474 2.727 20 30 FFEDLO C#CCN1CC[NH+](Cc2ccc(OC(=O)c3cccs3)c(OC)c2)CC1 ZINC001137258441 1010143119 /nfs/dbraw/zinc/14/31/19/1010143119.db2.gz LWSNBVUUDDVGPP-UHFFFAOYSA-N 1 2 370.474 2.727 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CN3C[C@H](c4ccccc4)OC3=O)C2)nc1 ZINC000863268106 1010151347 /nfs/dbraw/zinc/15/13/47/1010151347.db2.gz MEWPHBRJJHIKLR-ZWKOTPCHSA-N 1 2 364.405 2.557 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CN3C[C@H](c4ccccc4)OC3=O)C2)nc1 ZINC000863268106 1010151351 /nfs/dbraw/zinc/15/13/51/1010151351.db2.gz MEWPHBRJJHIKLR-ZWKOTPCHSA-N 1 2 364.405 2.557 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C=C(CC)CC)C2)c1 ZINC001206874368 1032472582 /nfs/dbraw/zinc/47/25/82/1032472582.db2.gz PNMKCIKLZCZMQZ-OXQOHEQNSA-N 1 2 367.493 2.789 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C=C(CC)CC)C2)c1 ZINC001206874368 1032472586 /nfs/dbraw/zinc/47/25/86/1032472586.db2.gz PNMKCIKLZCZMQZ-OXQOHEQNSA-N 1 2 367.493 2.789 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)cc2C)C[C@H]1C ZINC001206886834 1032480944 /nfs/dbraw/zinc/48/09/44/1032480944.db2.gz JNVUQXUTUGGKJN-UYAOXDASSA-N 1 2 369.509 2.872 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)cc2C)C[C@H]1C ZINC001206886834 1032480949 /nfs/dbraw/zinc/48/09/49/1032480949.db2.gz JNVUQXUTUGGKJN-UYAOXDASSA-N 1 2 369.509 2.872 20 30 FFEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001093784816 1010558444 /nfs/dbraw/zinc/55/84/44/1010558444.db2.gz LYWAJKIGLUPYRA-KCPJHIHWSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001093784816 1010558449 /nfs/dbraw/zinc/55/84/49/1010558449.db2.gz LYWAJKIGLUPYRA-KCPJHIHWSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@H]1C[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@]2(CCCOC2)O1 ZINC000794904719 1010960637 /nfs/dbraw/zinc/96/06/37/1010960637.db2.gz XYLQTEJYBVMLPM-JXFKEZNVSA-N 1 2 352.438 2.649 20 30 FFEDLO C[C@H]1C[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@]2(CCCOC2)O1 ZINC000794904719 1010960640 /nfs/dbraw/zinc/96/06/40/1010960640.db2.gz XYLQTEJYBVMLPM-JXFKEZNVSA-N 1 2 352.438 2.649 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCC[C@@H](CC#N)C3)C2)cc1 ZINC000869099956 1011608548 /nfs/dbraw/zinc/60/85/48/1011608548.db2.gz AZDIARGLMVKNBH-AZUAARDMSA-N 1 2 370.497 2.531 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCC[C@@H](CC#N)C3)C2)cc1 ZINC000869099956 1011608559 /nfs/dbraw/zinc/60/85/59/1011608559.db2.gz AZDIARGLMVKNBH-AZUAARDMSA-N 1 2 370.497 2.531 20 30 FFEDLO CCCCCCCCCCC[NH+]1CC2(C1)CN(C1COC1)C(=O)CO2 ZINC001275093267 1011920680 /nfs/dbraw/zinc/92/06/80/1011920680.db2.gz KIUYTFSCJQUSNT-UHFFFAOYSA-N 1 2 352.519 2.829 20 30 FFEDLO C=C[C@@H]1C[C@]1([NH2+]C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)OCC ZINC001173000394 1012168910 /nfs/dbraw/zinc/16/89/10/1012168910.db2.gz LOHISWDBORJVHQ-FOIQADDNSA-N 1 2 360.429 2.528 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@H]2c2ncccn2)C[C@H]1C#N ZINC001172994043 1012198035 /nfs/dbraw/zinc/19/80/35/1012198035.db2.gz QLVCXSLEJGAZSP-JYJNAYRXSA-N 1 2 357.458 2.905 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCC[C@H]2c2ncccn2)C[C@H]1C#N ZINC001172994043 1012198043 /nfs/dbraw/zinc/19/80/43/1012198043.db2.gz QLVCXSLEJGAZSP-JYJNAYRXSA-N 1 2 357.458 2.905 20 30 FFEDLO C=CCOC(=O)C[C@H]([NH2+]C1CCC2(CCOCC2)CC1)C(=O)OCC=C ZINC001173044530 1012205066 /nfs/dbraw/zinc/20/50/66/1012205066.db2.gz FFGMLLSFZBEWPA-KRWDZBQOSA-N 1 2 365.470 2.533 20 30 FFEDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c1F ZINC001173187544 1012329140 /nfs/dbraw/zinc/32/91/40/1012329140.db2.gz XHWAGHYTLOPADE-BONVTDFDSA-N 1 2 366.414 2.948 20 30 FFEDLO Cc1nc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccc(C#N)c2)co1 ZINC001275358811 1012362390 /nfs/dbraw/zinc/36/23/90/1012362390.db2.gz YLXIFZIVWIWYCU-RTBURBONSA-N 1 2 350.422 2.620 20 30 FFEDLO Cc1nc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccc(C#N)c2)co1 ZINC001275358811 1012362407 /nfs/dbraw/zinc/36/24/07/1012362407.db2.gz YLXIFZIVWIWYCU-RTBURBONSA-N 1 2 350.422 2.620 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Br)o1 ZINC001275571399 1012629948 /nfs/dbraw/zinc/62/99/48/1012629948.db2.gz JRMWGPWPTOZMMX-MRXNPFEDSA-N 1 2 351.244 2.632 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Br)o1 ZINC001275571399 1012629955 /nfs/dbraw/zinc/62/99/55/1012629955.db2.gz JRMWGPWPTOZMMX-MRXNPFEDSA-N 1 2 351.244 2.632 20 30 FFEDLO Cc1ocnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095221022 1012737528 /nfs/dbraw/zinc/73/75/28/1012737528.db2.gz KTWDCVCRKVAGPG-PVAVHDDUSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1ocnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095221022 1012737543 /nfs/dbraw/zinc/73/75/43/1012737543.db2.gz KTWDCVCRKVAGPG-PVAVHDDUSA-N 1 2 354.385 2.529 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(F)nc2)C3)cc1F ZINC001095234131 1012804322 /nfs/dbraw/zinc/80/43/22/1012804322.db2.gz IRWYZMHHQXQWCX-NJAFHUGGSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(F)nc2)C3)cc1F ZINC001095234131 1012804340 /nfs/dbraw/zinc/80/43/40/1012804340.db2.gz IRWYZMHHQXQWCX-NJAFHUGGSA-N 1 2 368.387 2.767 20 30 FFEDLO CCCCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001217300648 1032683503 /nfs/dbraw/zinc/68/35/03/1032683503.db2.gz GABHTOFIFBXERV-RBUKOAKNSA-N 1 2 359.445 2.689 20 30 FFEDLO CCCCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001217300648 1032683510 /nfs/dbraw/zinc/68/35/10/1032683510.db2.gz GABHTOFIFBXERV-RBUKOAKNSA-N 1 2 359.445 2.689 20 30 FFEDLO O=C(CC#Cc1ccccc1)N1C[C@H]2CC[N@@H+](Cc3cncc(F)c3)C[C@H]21 ZINC001222038542 1032686438 /nfs/dbraw/zinc/68/64/38/1032686438.db2.gz GQBJDIMARCJLPT-TZIWHRDSSA-N 1 2 363.436 2.695 20 30 FFEDLO O=C(CC#Cc1ccccc1)N1C[C@H]2CC[N@H+](Cc3cncc(F)c3)C[C@H]21 ZINC001222038542 1032686446 /nfs/dbraw/zinc/68/64/46/1032686446.db2.gz GQBJDIMARCJLPT-TZIWHRDSSA-N 1 2 363.436 2.695 20 30 FFEDLO Cc1cc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccncc2C#N)c(C)[nH+]1 ZINC001055269188 1017242076 /nfs/dbraw/zinc/24/20/76/1017242076.db2.gz QTYPWARDCFLTCO-AOIWGVFYSA-N 1 2 361.449 2.813 20 30 FFEDLO Cc1cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(C#N)c2)C3)nc(C(C)C)[nH+]1 ZINC001055303826 1017275848 /nfs/dbraw/zinc/27/58/48/1017275848.db2.gz WZOUWDUONXPNNR-ZACQAIPSSA-N 1 2 364.453 2.648 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccsn2)C3)ccc1F ZINC001097306356 1017317565 /nfs/dbraw/zinc/31/75/65/1017317565.db2.gz GAXRAYFGLYDHGW-XYPHTWIQSA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccsn2)C3)ccc1F ZINC001097306356 1017317577 /nfs/dbraw/zinc/31/75/77/1017317577.db2.gz GAXRAYFGLYDHGW-XYPHTWIQSA-N 1 2 356.426 2.689 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccns2)cc1 ZINC001097996110 1017583694 /nfs/dbraw/zinc/58/36/94/1017583694.db2.gz UVQOUWIXOCQVTE-LZQZEXGQSA-N 1 2 367.474 2.690 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccns2)cc1 ZINC001097996110 1017583706 /nfs/dbraw/zinc/58/37/06/1017583706.db2.gz UVQOUWIXOCQVTE-LZQZEXGQSA-N 1 2 367.474 2.690 20 30 FFEDLO Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncccc2C#N)c(C)[nH+]1 ZINC001055485186 1017587624 /nfs/dbraw/zinc/58/76/24/1017587624.db2.gz JYCJAHMGFFIYCE-KURKYZTESA-N 1 2 361.449 2.813 20 30 FFEDLO CCCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)[nH]n1 ZINC001097618592 1017706153 /nfs/dbraw/zinc/70/61/53/1017706153.db2.gz YWOCVNJIXZOMOS-SBHAEUEKSA-N 1 2 362.477 2.749 20 30 FFEDLO CCCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)[nH]n1 ZINC001097618592 1017706166 /nfs/dbraw/zinc/70/61/66/1017706166.db2.gz YWOCVNJIXZOMOS-SBHAEUEKSA-N 1 2 362.477 2.749 20 30 FFEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000925584891 1017795803 /nfs/dbraw/zinc/79/58/03/1017795803.db2.gz NDJOAEFPFYBRDD-LJQANCHMSA-N 1 2 358.486 2.589 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(CNc2cc[nH+]c(C)n2)C1 ZINC001055690517 1017894873 /nfs/dbraw/zinc/89/48/73/1017894873.db2.gz WMGFNDHLDDOTPV-NYUBLWNDSA-N 1 2 370.497 2.807 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1Nc1ccc(C#N)nc1 ZINC001052723032 1018058343 /nfs/dbraw/zinc/05/83/43/1018058343.db2.gz NPUJUPSKQAIRGL-IAGOWNOFSA-N 1 2 366.469 2.529 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C)nn2)C1 ZINC001052750523 1018082324 /nfs/dbraw/zinc/08/23/24/1018082324.db2.gz STWBMIAYEYVYSP-QINHECLXSA-N 1 2 368.485 2.527 20 30 FFEDLO CC[C@@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1cccc(C#N)c1O ZINC000926568954 1018162929 /nfs/dbraw/zinc/16/29/29/1018162929.db2.gz DWJIGQHTKFAYKD-SJORKVTESA-N 1 2 360.454 2.720 20 30 FFEDLO CC[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cccc(C#N)c1O ZINC000926625901 1018185709 /nfs/dbraw/zinc/18/57/09/1018185709.db2.gz FBLDWBMWBMKQAR-ZBFHGGJFSA-N 1 2 372.446 2.539 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(OC)c3Cl)C[C@@H]21 ZINC001217504127 1032761238 /nfs/dbraw/zinc/76/12/38/1032761238.db2.gz SZYXPSIROVDYHY-DOTOQJQBSA-N 1 2 364.873 2.726 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(OC)c3Cl)C[C@@H]21 ZINC001217504127 1032761250 /nfs/dbraw/zinc/76/12/50/1032761250.db2.gz SZYXPSIROVDYHY-DOTOQJQBSA-N 1 2 364.873 2.726 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001058242764 1018671601 /nfs/dbraw/zinc/67/16/01/1018671601.db2.gz LIAWOMMIVBHOFD-BBWFWOEESA-N 1 2 358.486 2.585 20 30 FFEDLO CCn1cncc1/C=C1/CC(C(=O)OC)C/C(=C/c2c[nH+]cn2CC)C1=O ZINC000901498102 1019153506 /nfs/dbraw/zinc/15/35/06/1019153506.db2.gz FMMAUNQIKJFWDZ-SFGFDRCGSA-N 1 2 368.437 2.739 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC001067916748 1019188613 /nfs/dbraw/zinc/18/86/13/1019188613.db2.gz QNDUZCUJLSPCCV-AKSNENBUSA-N 1 2 358.486 2.948 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001068592395 1019312234 /nfs/dbraw/zinc/31/22/34/1019312234.db2.gz RJPYXNQATUICGB-LFEHRJTNSA-N 1 2 370.497 2.562 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001043528129 1019484026 /nfs/dbraw/zinc/48/40/26/1019484026.db2.gz XCVLTEVWYFSYMF-DZUCGIPZSA-N 1 2 358.486 2.758 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1conc1C1CC1 ZINC001095991474 1019708542 /nfs/dbraw/zinc/70/85/42/1019708542.db2.gz WVIJZYKQCXXXEJ-HOJAQTOUSA-N 1 2 361.445 2.939 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1conc1C1CC1 ZINC001095991474 1019708560 /nfs/dbraw/zinc/70/85/60/1019708560.db2.gz WVIJZYKQCXXXEJ-HOJAQTOUSA-N 1 2 361.445 2.939 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1C1CC1)C2 ZINC001096273866 1019790575 /nfs/dbraw/zinc/79/05/75/1019790575.db2.gz LXQYEBFBCBFKEW-NEWSRXKRSA-N 1 2 361.449 2.694 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1C1CC1)C2 ZINC001096273866 1019790592 /nfs/dbraw/zinc/79/05/92/1019790592.db2.gz LXQYEBFBCBFKEW-NEWSRXKRSA-N 1 2 361.449 2.694 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)C(C)C ZINC001110983302 1019939678 /nfs/dbraw/zinc/93/96/78/1019939678.db2.gz MUKBCZAXOXXNQJ-ZRNYENFQSA-N 1 2 358.457 2.570 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)C(C)C ZINC001110983302 1019939685 /nfs/dbraw/zinc/93/96/85/1019939685.db2.gz MUKBCZAXOXXNQJ-ZRNYENFQSA-N 1 2 358.457 2.570 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)nc1 ZINC001045746386 1020112371 /nfs/dbraw/zinc/11/23/71/1020112371.db2.gz XCHCZTFJJRAHKH-BZUAXINKSA-N 1 2 364.453 2.636 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110996591 1020162578 /nfs/dbraw/zinc/16/25/78/1020162578.db2.gz XLCMDZGPDCUHEZ-RSPOEFSDSA-N 1 2 373.472 2.980 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110996591 1020162584 /nfs/dbraw/zinc/16/25/84/1020162584.db2.gz XLCMDZGPDCUHEZ-RSPOEFSDSA-N 1 2 373.472 2.980 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)sc2C)nc1 ZINC001096379678 1020282363 /nfs/dbraw/zinc/28/23/63/1020282363.db2.gz XQPLHXVPWPLCSO-AYBZRNKSSA-N 1 2 366.490 2.672 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)sc2C)nc1 ZINC001096379678 1020282366 /nfs/dbraw/zinc/28/23/66/1020282366.db2.gz XQPLHXVPWPLCSO-AYBZRNKSSA-N 1 2 366.490 2.672 20 30 FFEDLO Cc1ccccc1[C@@H]1CC(=O)N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1 ZINC000902599761 1020330878 /nfs/dbraw/zinc/33/08/78/1020330878.db2.gz JIGCERDRTQNFIJ-QGZVFWFLSA-N 1 2 354.450 2.606 20 30 FFEDLO Cc1ccc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c(N(C)C)[nH+]1 ZINC000800549105 1020395829 /nfs/dbraw/zinc/39/58/29/1020395829.db2.gz FDYRJZNZGXXDJU-UHFFFAOYSA-N 1 2 364.453 2.940 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCc4nc[nH]c4C34CCC4)C2=O)cc1 ZINC000931680179 1020549893 /nfs/dbraw/zinc/54/98/93/1020549893.db2.gz PXDGCRRSFAQNBP-GOSISDBHSA-N 1 2 361.449 2.714 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCc4nc[nH]c4C34CCC4)C2=O)cc1 ZINC000931680179 1020549898 /nfs/dbraw/zinc/54/98/98/1020549898.db2.gz PXDGCRRSFAQNBP-GOSISDBHSA-N 1 2 361.449 2.714 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903020806 1020632071 /nfs/dbraw/zinc/63/20/71/1020632071.db2.gz HBHFKXQMLCAKMP-DOMZBBRYSA-N 1 2 370.844 2.515 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903020806 1020632074 /nfs/dbraw/zinc/63/20/74/1020632074.db2.gz HBHFKXQMLCAKMP-DOMZBBRYSA-N 1 2 370.844 2.515 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3cccnn31)C2 ZINC001096122114 1020761768 /nfs/dbraw/zinc/76/17/68/1020761768.db2.gz NGMYGSFSWPVUGP-AABGKKOBSA-N 1 2 371.444 2.741 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3cccnn31)C2 ZINC001096122114 1020761773 /nfs/dbraw/zinc/76/17/73/1020761773.db2.gz NGMYGSFSWPVUGP-AABGKKOBSA-N 1 2 371.444 2.741 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)o1 ZINC001098286312 1020794078 /nfs/dbraw/zinc/79/40/78/1020794078.db2.gz DDXRBXOKJFJRCY-AQNXPRMDSA-N 1 2 363.461 2.737 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)o1 ZINC001098286312 1020794084 /nfs/dbraw/zinc/79/40/84/1020794084.db2.gz DDXRBXOKJFJRCY-AQNXPRMDSA-N 1 2 363.461 2.737 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC(C)C)c1C)C2 ZINC001098295939 1020799280 /nfs/dbraw/zinc/79/92/80/1020799280.db2.gz APDCPJZLRGDRPU-OIISXLGYSA-N 1 2 350.894 2.935 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC(C)C)c1C)C2 ZINC001098295939 1020799285 /nfs/dbraw/zinc/79/92/85/1020799285.db2.gz APDCPJZLRGDRPU-OIISXLGYSA-N 1 2 350.894 2.935 20 30 FFEDLO Cc1noc(C)c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001098379584 1020860044 /nfs/dbraw/zinc/86/00/44/1020860044.db2.gz XYBKZXIVPMRTMM-RLLQIKCJSA-N 1 2 364.449 2.627 20 30 FFEDLO Cc1noc(C)c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001098379584 1020860050 /nfs/dbraw/zinc/86/00/50/1020860050.db2.gz XYBKZXIVPMRTMM-RLLQIKCJSA-N 1 2 364.449 2.627 20 30 FFEDLO Cc1c[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001098396667 1020872728 /nfs/dbraw/zinc/87/27/28/1020872728.db2.gz USHFDNKXHDXTGG-LZQZEXGQSA-N 1 2 352.413 2.869 20 30 FFEDLO Cc1c[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001098396667 1020872733 /nfs/dbraw/zinc/87/27/33/1020872733.db2.gz USHFDNKXHDXTGG-LZQZEXGQSA-N 1 2 352.413 2.869 20 30 FFEDLO CCOC(=O)CCC1CC[NH+]([C@H](C(=O)OC)c2ccc(C#N)cc2)CC1 ZINC000749552289 1021004918 /nfs/dbraw/zinc/00/49/18/1021004918.db2.gz ULPXGVNVIPFXFB-IBGZPJMESA-N 1 2 358.438 2.828 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccnc2)C1 ZINC001098697508 1021047695 /nfs/dbraw/zinc/04/76/95/1021047695.db2.gz NMWJBHQVKRECHT-RXVVDRJESA-N 1 2 364.424 2.877 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccnc2)C1 ZINC001098697508 1021047698 /nfs/dbraw/zinc/04/76/98/1021047698.db2.gz NMWJBHQVKRECHT-RXVVDRJESA-N 1 2 364.424 2.877 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)n2cccc2)C1 ZINC001098791401 1021148933 /nfs/dbraw/zinc/14/89/33/1021148933.db2.gz SZVPHSPKRARMSJ-VYDXJSESSA-N 1 2 366.303 2.928 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)n2cccc2)C1 ZINC001098791401 1021148934 /nfs/dbraw/zinc/14/89/34/1021148934.db2.gz SZVPHSPKRARMSJ-VYDXJSESSA-N 1 2 366.303 2.928 20 30 FFEDLO CC(C)c1cnc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001098801061 1021161694 /nfs/dbraw/zinc/16/16/94/1021161694.db2.gz FLMLPMNIXNBPTN-YWZLYKJASA-N 1 2 367.453 2.782 20 30 FFEDLO CC(C)c1cnc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001098801061 1021161695 /nfs/dbraw/zinc/16/16/95/1021161695.db2.gz FLMLPMNIXNBPTN-YWZLYKJASA-N 1 2 367.453 2.782 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1ccco1 ZINC001111072834 1021196225 /nfs/dbraw/zinc/19/62/25/1021196225.db2.gz VVTZNXNOTJLORR-NXHRZFHOSA-N 1 2 373.497 2.562 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1ccco1 ZINC001111072834 1021196231 /nfs/dbraw/zinc/19/62/31/1021196231.db2.gz VVTZNXNOTJLORR-NXHRZFHOSA-N 1 2 373.497 2.562 20 30 FFEDLO O=C(N[C@]12CCC[C@H]1C[N@@H+](CC#Cc1ccccc1Cl)C2)c1cnco1 ZINC001098965299 1021492860 /nfs/dbraw/zinc/49/28/60/1021492860.db2.gz ZHJCWXVPJNJFAA-JXFKEZNVSA-N 1 2 369.852 2.964 20 30 FFEDLO O=C(N[C@]12CCC[C@H]1C[N@H+](CC#Cc1ccccc1Cl)C2)c1cnco1 ZINC001098965299 1021492868 /nfs/dbraw/zinc/49/28/68/1021492868.db2.gz ZHJCWXVPJNJFAA-JXFKEZNVSA-N 1 2 369.852 2.964 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](Oc2ccccc2C(=O)/C=C/c2ccccc2)C[NH2+]1 ZINC001218174395 1033028879 /nfs/dbraw/zinc/02/88/79/1033028879.db2.gz AAPSLBJJNBCBPC-BJICUUOASA-N 1 2 351.402 2.865 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nccn2CC)C1 ZINC001099289948 1022230673 /nfs/dbraw/zinc/23/06/73/1022230673.db2.gz IUUNIHSYYGQNGD-CHWSQXEVSA-N 1 2 358.408 2.594 20 30 FFEDLO CN(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1cccc(C#N)c1 ZINC001202788451 1022243341 /nfs/dbraw/zinc/24/33/41/1022243341.db2.gz PZYLYWNSYHADHL-HXUWFJFHSA-N 1 2 364.449 2.923 20 30 FFEDLO CN(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1cccc(C#N)c1 ZINC001202788451 1022243352 /nfs/dbraw/zinc/24/33/52/1022243352.db2.gz PZYLYWNSYHADHL-HXUWFJFHSA-N 1 2 364.449 2.923 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccc(F)cc2o1 ZINC001111487243 1022371392 /nfs/dbraw/zinc/37/13/92/1022371392.db2.gz FBYVDUYGZBMNLQ-OIISXLGYSA-N 1 2 373.428 2.781 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccc(F)cc2o1 ZINC001111487243 1022371408 /nfs/dbraw/zinc/37/14/08/1022371408.db2.gz FBYVDUYGZBMNLQ-OIISXLGYSA-N 1 2 373.428 2.781 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC001118845221 1022433345 /nfs/dbraw/zinc/43/33/45/1022433345.db2.gz PAARUQFCOBSNLO-TZIWHRDSSA-N 1 2 350.418 2.756 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC001118845221 1022433353 /nfs/dbraw/zinc/43/33/53/1022433353.db2.gz PAARUQFCOBSNLO-TZIWHRDSSA-N 1 2 350.418 2.756 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)c(F)c1 ZINC001038259800 1022636355 /nfs/dbraw/zinc/63/63/55/1022636355.db2.gz JNENRJDBTOZVKR-JZXOWHBKSA-N 1 2 362.445 2.506 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)c(F)c1 ZINC001038259800 1022636366 /nfs/dbraw/zinc/63/63/66/1022636366.db2.gz JNENRJDBTOZVKR-JZXOWHBKSA-N 1 2 362.445 2.506 20 30 FFEDLO N#Cc1cc2c(nc1NCc1cc[nH+]c(N3CCSCC3)c1)CCOC2 ZINC000601240721 1022714186 /nfs/dbraw/zinc/71/41/86/1022714186.db2.gz OZCIKZVZAPFZBW-UHFFFAOYSA-N 1 2 367.478 2.586 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3nccn31)C2 ZINC001095751838 1022730982 /nfs/dbraw/zinc/73/09/82/1022730982.db2.gz JIXAQAXNPRYGTI-QYZOEREBSA-N 1 2 371.444 2.741 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3nccn31)C2 ZINC001095751838 1022730995 /nfs/dbraw/zinc/73/09/95/1022730995.db2.gz JIXAQAXNPRYGTI-QYZOEREBSA-N 1 2 371.444 2.741 20 30 FFEDLO C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1nc(Cl)c(C#N)s1 ZINC001099765076 1022819210 /nfs/dbraw/zinc/81/92/10/1022819210.db2.gz JODMYCCDYQRLHZ-IVZWLZJFSA-N 1 2 364.862 2.502 20 30 FFEDLO C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1nc(Cl)c(C#N)s1 ZINC001099765076 1022819222 /nfs/dbraw/zinc/81/92/22/1022819222.db2.gz JODMYCCDYQRLHZ-IVZWLZJFSA-N 1 2 364.862 2.502 20 30 FFEDLO C#C[C@H](CC)NC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000753262851 1023296085 /nfs/dbraw/zinc/29/60/85/1023296085.db2.gz ACPRVJAFLYHEID-OAHLLOKOSA-N 1 2 369.387 2.824 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC(F)(F)C[C@H]1C ZINC001122490833 1023302097 /nfs/dbraw/zinc/30/20/97/1023302097.db2.gz VOWKMVZHBGOZIR-CYBMUJFWSA-N 1 2 350.417 2.803 20 30 FFEDLO COC(=O)c1ccccc1-c1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)o1 ZINC000753937229 1023402690 /nfs/dbraw/zinc/40/26/90/1023402690.db2.gz XAYZWYSHFAHQSL-CALCHBBNSA-N 1 2 366.421 2.927 20 30 FFEDLO COC[C@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccco1 ZINC000754338241 1023457009 /nfs/dbraw/zinc/45/70/09/1023457009.db2.gz ARKVJIOWGBSGHI-HOCLYGCPSA-N 1 2 362.389 2.794 20 30 FFEDLO C=CCc1ccc(OCC(=O)N2CCC(c3c[nH+]cn3C)CC2)c(OC)c1 ZINC001121308804 1023700031 /nfs/dbraw/zinc/70/00/31/1023700031.db2.gz SMYPFRGDIAKUFY-UHFFFAOYSA-N 1 2 369.465 2.942 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001222776180 1033155700 /nfs/dbraw/zinc/15/57/00/1033155700.db2.gz OVLFCBRMOSPXEP-AEFFLSMTSA-N 1 2 359.518 2.632 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001222776180 1033155709 /nfs/dbraw/zinc/15/57/09/1033155709.db2.gz OVLFCBRMOSPXEP-AEFFLSMTSA-N 1 2 359.518 2.632 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCOC(C2CC2)(C2CC2)C1 ZINC001121519207 1023822575 /nfs/dbraw/zinc/82/25/75/1023822575.db2.gz IZEZHTBFAUQSHA-UHFFFAOYSA-N 1 2 371.529 2.845 20 30 FFEDLO C=CCN(CC=C)c1nnc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC1CC1 ZINC001123622496 1023906071 /nfs/dbraw/zinc/90/60/71/1023906071.db2.gz SOXNGFQVHOEKPF-ROUUACIJSA-N 1 2 357.502 2.792 20 30 FFEDLO C=CCN(CC=C)c1nnc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC1CC1 ZINC001123622496 1023906079 /nfs/dbraw/zinc/90/60/79/1023906079.db2.gz SOXNGFQVHOEKPF-ROUUACIJSA-N 1 2 357.502 2.792 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001121799871 1024036962 /nfs/dbraw/zinc/03/69/62/1024036962.db2.gz BRNSQYIGJUGBJH-KRWDZBQOSA-N 1 2 374.533 2.642 20 30 FFEDLO CC(C)c1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@]3(C)C2)o1 ZINC001101229228 1024138285 /nfs/dbraw/zinc/13/82/85/1024138285.db2.gz PWPGWAXQAUNCJV-QRWLVFNGSA-N 1 2 358.486 2.523 20 30 FFEDLO CC(C)c1nnc(C[N@H+]2C[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@]3(C)C2)o1 ZINC001101229228 1024138289 /nfs/dbraw/zinc/13/82/89/1024138289.db2.gz PWPGWAXQAUNCJV-QRWLVFNGSA-N 1 2 358.486 2.523 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001101336728 1024484958 /nfs/dbraw/zinc/48/49/58/1024484958.db2.gz NUSNGNTXHZZHRP-NBQZKYEYSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001101336728 1024484968 /nfs/dbraw/zinc/48/49/68/1024484968.db2.gz NUSNGNTXHZZHRP-NBQZKYEYSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CC4)nn3C)C[C@@]2(C)C1 ZINC001101338077 1024488120 /nfs/dbraw/zinc/48/81/20/1024488120.db2.gz WLYLHDKVWGADGV-CEQIKUNHSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CC4)nn3C)C[C@@]2(C)C1 ZINC001101338077 1024488126 /nfs/dbraw/zinc/48/81/26/1024488126.db2.gz WLYLHDKVWGADGV-CEQIKUNHSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nnc(CC)s3)C[C@@]2(C)C1 ZINC001101337942 1024488848 /nfs/dbraw/zinc/48/88/48/1024488848.db2.gz RGDSGWHLPYGLRX-KHYOSLBOSA-N 1 2 362.543 2.983 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(CC)s3)C[C@@]2(C)C1 ZINC001101337942 1024488857 /nfs/dbraw/zinc/48/88/57/1024488857.db2.gz RGDSGWHLPYGLRX-KHYOSLBOSA-N 1 2 362.543 2.983 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(CC)o4)C[C@@]3(C)C2)CC1 ZINC001101353806 1024530236 /nfs/dbraw/zinc/53/02/36/1024530236.db2.gz FXBOZTYHTYGPJB-BEFAXECRSA-N 1 2 358.486 2.659 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(CC)o4)C[C@@]3(C)C2)CC1 ZINC001101353806 1024530242 /nfs/dbraw/zinc/53/02/42/1024530242.db2.gz FXBOZTYHTYGPJB-BEFAXECRSA-N 1 2 358.486 2.659 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@@H+]([C@@H](C)c4nnc(C)[nH]4)C[C@@]3(C)C2)CC1 ZINC001101355153 1024534882 /nfs/dbraw/zinc/53/48/82/1024534882.db2.gz QBJLHUKAVAXGEJ-GMBSWORKSA-N 1 2 357.502 2.701 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@H+]([C@@H](C)c4nnc(C)[nH]4)C[C@@]3(C)C2)CC1 ZINC001101355153 1024534891 /nfs/dbraw/zinc/53/48/91/1024534891.db2.gz QBJLHUKAVAXGEJ-GMBSWORKSA-N 1 2 357.502 2.701 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CC4)nn3C)C[C@@]2(C)C1 ZINC001101379046 1024588716 /nfs/dbraw/zinc/58/87/16/1024588716.db2.gz SAVNSTQNRICKEU-IERDGZPVSA-N 1 2 371.529 2.575 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CC4)nn3C)C[C@@]2(C)C1 ZINC001101379046 1024588721 /nfs/dbraw/zinc/58/87/21/1024588721.db2.gz SAVNSTQNRICKEU-IERDGZPVSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000951785492 1024703946 /nfs/dbraw/zinc/70/39/46/1024703946.db2.gz QSHQCBQAVHEHLQ-BEVDRBHNSA-N 1 2 358.482 2.880 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001101987670 1025247961 /nfs/dbraw/zinc/24/79/61/1025247961.db2.gz BYQAWVOUNNFFLO-KCPJHIHWSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001101987670 1025247989 /nfs/dbraw/zinc/24/79/89/1025247989.db2.gz BYQAWVOUNNFFLO-KCPJHIHWSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001101987670 1025248000 /nfs/dbraw/zinc/24/80/00/1025248000.db2.gz BYQAWVOUNNFFLO-KCPJHIHWSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001101987670 1025248010 /nfs/dbraw/zinc/24/80/10/1025248010.db2.gz BYQAWVOUNNFFLO-KCPJHIHWSA-N 1 2 357.351 2.643 20 30 FFEDLO C=CCCC1(C(=O)NC[C@@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)C[C@H]2C)CC1 ZINC001102326354 1025753319 /nfs/dbraw/zinc/75/33/19/1025753319.db2.gz OKNWAPCUAHUJHG-GDBMZVCRSA-N 1 2 357.502 2.613 20 30 FFEDLO C=CCCC1(C(=O)NC[C@@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)C[C@H]2C)CC1 ZINC001102326354 1025753335 /nfs/dbraw/zinc/75/33/35/1025753335.db2.gz OKNWAPCUAHUJHG-GDBMZVCRSA-N 1 2 357.502 2.613 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001102328371 1025756719 /nfs/dbraw/zinc/75/67/19/1025756719.db2.gz GROFQFFEHPSKNL-PSTGCABASA-N 1 2 356.417 2.794 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001102328371 1025756726 /nfs/dbraw/zinc/75/67/26/1025756726.db2.gz GROFQFFEHPSKNL-PSTGCABASA-N 1 2 356.417 2.794 20 30 FFEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)N(C)CC(C)(C)C#N)CC2)cc1 ZINC000838492581 1026388522 /nfs/dbraw/zinc/38/85/22/1026388522.db2.gz RRJBWWVKIOVRDD-UHFFFAOYSA-N 1 2 357.502 2.913 20 30 FFEDLO Cc1cc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)ncc1C#N ZINC000838965082 1026554126 /nfs/dbraw/zinc/55/41/26/1026554126.db2.gz PRZUKOONEHIOHK-KRWDZBQOSA-N 1 2 366.377 2.601 20 30 FFEDLO Cc1cc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)ncc1C#N ZINC000838965082 1026554136 /nfs/dbraw/zinc/55/41/36/1026554136.db2.gz PRZUKOONEHIOHK-KRWDZBQOSA-N 1 2 366.377 2.601 20 30 FFEDLO Cc1n[nH]c(C(=O)NCC[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2C)c1C ZINC001102806359 1026665934 /nfs/dbraw/zinc/66/59/34/1026665934.db2.gz QKKAUDLILUNDPU-IUODEOHRSA-N 1 2 371.510 2.848 20 30 FFEDLO Cc1n[nH]c(C(=O)NCC[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2C)c1C ZINC001102806359 1026665937 /nfs/dbraw/zinc/66/59/37/1026665937.db2.gz QKKAUDLILUNDPU-IUODEOHRSA-N 1 2 371.510 2.848 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1nc(C3CC3)no1)C2 ZINC001111725109 1026883555 /nfs/dbraw/zinc/88/35/55/1026883555.db2.gz LGWUQUOSIVPUJH-UVFQYZLESA-N 1 2 356.470 2.782 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1nc(C3CC3)no1)C2 ZINC001111725109 1026883563 /nfs/dbraw/zinc/88/35/63/1026883563.db2.gz LGWUQUOSIVPUJH-UVFQYZLESA-N 1 2 356.470 2.782 20 30 FFEDLO Cc1cnc(N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c(C#N)n1 ZINC001158591811 1027070169 /nfs/dbraw/zinc/07/01/69/1027070169.db2.gz UOHBFGKKUJQJEH-WMZOPIPTSA-N 1 2 365.437 2.528 20 30 FFEDLO C#Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC001158767795 1027128536 /nfs/dbraw/zinc/12/85/36/1027128536.db2.gz SNVFSRFBVMYSCA-INIZCTEOSA-N 1 2 351.425 2.956 20 30 FFEDLO C#CC[NH+]1CCC(C(=O)Nc2n[nH]c(SCc3ccc(C)cc3)n2)CC1 ZINC001159363456 1027367637 /nfs/dbraw/zinc/36/76/37/1027367637.db2.gz GUONOQGEKWMRBF-UHFFFAOYSA-N 1 2 369.494 2.689 20 30 FFEDLO C#CC[NH+]1CCC(C(=O)Nc2nc(SCc3ccc(C)cc3)n[nH]2)CC1 ZINC001159363456 1027367652 /nfs/dbraw/zinc/36/76/52/1027367652.db2.gz GUONOQGEKWMRBF-UHFFFAOYSA-N 1 2 369.494 2.689 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1cc(C#N)cc(Cl)n1)C[NH2+]C2(C)C ZINC001159654927 1027458120 /nfs/dbraw/zinc/45/81/20/1027458120.db2.gz MMKHXYHQZVHZIT-UHFFFAOYSA-N 1 2 360.805 2.890 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001153272404 1027817911 /nfs/dbraw/zinc/81/79/11/1027817911.db2.gz CJIRVZMJBGTAQE-UHFFFAOYSA-N 1 2 371.481 2.881 20 30 FFEDLO C#CCCN1CCC[C@@H](Nc2cc([C@@H](CC(=O)OC)C3CC3)cc[nH+]2)C1=O ZINC001160899479 1027914614 /nfs/dbraw/zinc/91/46/14/1027914614.db2.gz GILJZLMNIIDSHN-ZWKOTPCHSA-N 1 2 369.465 2.565 20 30 FFEDLO C=CCO[C@H](C)C(=O)NCC[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001103770996 1028177593 /nfs/dbraw/zinc/17/75/93/1028177593.db2.gz XTUTZKPLWTWWMJ-MGPQQGTHSA-N 1 2 371.934 2.962 20 30 FFEDLO C=CCO[C@H](C)C(=O)NCC[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001103770996 1028177603 /nfs/dbraw/zinc/17/76/03/1028177603.db2.gz XTUTZKPLWTWWMJ-MGPQQGTHSA-N 1 2 371.934 2.962 20 30 FFEDLO CC[N@H+](C)[C@H](C(=O)Nc1n[nH]c(-c2cccc(C#N)c2)n1)c1ccccc1 ZINC001161913989 1028362262 /nfs/dbraw/zinc/36/22/62/1028362262.db2.gz KYLUWNWWDQTOAS-KRWDZBQOSA-N 1 2 360.421 2.975 20 30 FFEDLO CC[N@@H+](C)[C@H](C(=O)Nc1n[nH]c(-c2cccc(C#N)c2)n1)c1ccccc1 ZINC001161913989 1028362278 /nfs/dbraw/zinc/36/22/78/1028362278.db2.gz KYLUWNWWDQTOAS-KRWDZBQOSA-N 1 2 360.421 2.975 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000957624169 1028420661 /nfs/dbraw/zinc/42/06/61/1028420661.db2.gz POVHUSLIQIBCLQ-CRAIPNDOSA-N 1 2 366.465 2.661 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(F)(F)C(F)F)C1 ZINC001103965288 1028426204 /nfs/dbraw/zinc/42/62/04/1028426204.db2.gz MSCOXVOEYYPLLL-HZSPNIEDSA-N 1 2 368.415 2.942 20 30 FFEDLO Cc1c[nH+]c(NCCNC(=O)[C@H]2CCCc3ccccc32)c(/C=N/O)c1 ZINC001162640666 1028609972 /nfs/dbraw/zinc/60/99/72/1028609972.db2.gz KJVJHYASKQRVLZ-VQXFCIMOSA-N 1 2 352.438 2.846 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C2CC2)o1 ZINC001155757260 1028893302 /nfs/dbraw/zinc/89/33/02/1028893302.db2.gz DNJSJCTUGDJDEA-ALKREAHSSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C2CC2)o1 ZINC001155757260 1028893326 /nfs/dbraw/zinc/89/33/26/1028893326.db2.gz DNJSJCTUGDJDEA-ALKREAHSSA-N 1 2 361.486 2.860 20 30 FFEDLO Cc1nc(NC(=NO)c2ccc(OC(F)(F)F)cc2)cc(N(C)C)[nH+]1 ZINC001155909175 1028970382 /nfs/dbraw/zinc/97/03/82/1028970382.db2.gz JQEYKLKMRMKHFT-UHFFFAOYSA-N 1 2 355.320 2.998 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)n1CCC)C2 ZINC001111763925 1029378983 /nfs/dbraw/zinc/37/89/83/1029378983.db2.gz PFCZLXLNZDOVQC-PXNSSMCTSA-N 1 2 359.518 2.824 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)n1CCC)C2 ZINC001111763925 1029378999 /nfs/dbraw/zinc/37/89/99/1029378999.db2.gz PFCZLXLNZDOVQC-PXNSSMCTSA-N 1 2 359.518 2.824 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncc(C)cn1)C2 ZINC001111833916 1029582850 /nfs/dbraw/zinc/58/28/50/1029582850.db2.gz IRIQDRAFERFHES-RXVVDRJESA-N 1 2 354.498 2.839 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncc(C)cn1)C2 ZINC001111833916 1029582857 /nfs/dbraw/zinc/58/28/57/1029582857.db2.gz IRIQDRAFERFHES-RXVVDRJESA-N 1 2 354.498 2.839 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1CCC)C2 ZINC001111834498 1029585622 /nfs/dbraw/zinc/58/56/22/1029585622.db2.gz VKNWKCPTPCAYHR-RXVVDRJESA-N 1 2 371.529 2.743 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1CCC)C2 ZINC001111834498 1029585626 /nfs/dbraw/zinc/58/56/26/1029585626.db2.gz VKNWKCPTPCAYHR-RXVVDRJESA-N 1 2 371.529 2.743 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc([C@@H](C)OC)no1)C2 ZINC001111855824 1029626321 /nfs/dbraw/zinc/62/63/21/1029626321.db2.gz NUWZSDUVDMPPKL-VCBZYWHSSA-N 1 2 362.474 2.604 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc([C@@H](C)OC)no1)C2 ZINC001111855824 1029626327 /nfs/dbraw/zinc/62/63/27/1029626327.db2.gz NUWZSDUVDMPPKL-VCBZYWHSSA-N 1 2 362.474 2.604 20 30 FFEDLO C=CCOc1cc(C)nc(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)n1 ZINC001165690548 1030085109 /nfs/dbraw/zinc/08/51/09/1030085109.db2.gz DUOCXLVKWIXNJY-QGZVFWFLSA-N 1 2 369.469 2.609 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12CN(c1nc(NC3CC3)c(C)c[nH+]1)CCO2 ZINC001166364504 1030385318 /nfs/dbraw/zinc/38/53/18/1030385318.db2.gz OYCMXURHAUATCM-OXQOHEQNSA-N 1 2 358.486 2.937 20 30 FFEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000784165162 1030489927 /nfs/dbraw/zinc/48/99/27/1030489927.db2.gz KTPSMPDXCQTELL-QAPCUYQASA-N 1 2 359.470 2.867 20 30 FFEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000784165162 1030489938 /nfs/dbraw/zinc/48/99/38/1030489938.db2.gz KTPSMPDXCQTELL-QAPCUYQASA-N 1 2 359.470 2.867 20 30 FFEDLO C#C[C@@H]1CCCN(c2cc(N3CCN(c4ccccc4F)CC3)nc[nH+]2)C1 ZINC001167008265 1030608080 /nfs/dbraw/zinc/60/80/80/1030608080.db2.gz WPCVWIGWVIUODM-QGZVFWFLSA-N 1 2 365.456 2.792 20 30 FFEDLO C#C[C@@H]1CCCN(c2cc(N3CCN(c4ccccc4F)CC3)[nH+]cn2)C1 ZINC001167008265 1030608090 /nfs/dbraw/zinc/60/80/90/1030608090.db2.gz WPCVWIGWVIUODM-QGZVFWFLSA-N 1 2 365.456 2.792 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cc(OC)cc(OC)c1 ZINC001203855147 1030933745 /nfs/dbraw/zinc/93/37/45/1030933745.db2.gz KVGNOHQMPGPAJN-IBGZPJMESA-N 1 2 357.454 2.739 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc(OC)cc(OC)c1 ZINC001203855147 1030933757 /nfs/dbraw/zinc/93/37/57/1030933757.db2.gz KVGNOHQMPGPAJN-IBGZPJMESA-N 1 2 357.454 2.739 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1c(C)cc(OC)cc1C ZINC001142932501 1031069498 /nfs/dbraw/zinc/06/94/98/1031069498.db2.gz FCFRATXAPFOIRM-IBGZPJMESA-N 1 2 356.470 2.743 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1c(C)cc(OC)cc1C ZINC001142932501 1031069513 /nfs/dbraw/zinc/06/95/13/1031069513.db2.gz FCFRATXAPFOIRM-IBGZPJMESA-N 1 2 356.470 2.743 20 30 FFEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCC3(CC#N)CC3)CC2)cc1 ZINC000797465481 1031116938 /nfs/dbraw/zinc/11/69/38/1031116938.db2.gz WMXABRYKZGDEEB-UHFFFAOYSA-N 1 2 355.486 2.714 20 30 FFEDLO COC(=O)C1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2C#N)CC1 ZINC001204371952 1031259806 /nfs/dbraw/zinc/25/98/06/1031259806.db2.gz QPBBWYWOWDRFHL-UHFFFAOYSA-N 1 2 373.453 2.591 20 30 FFEDLO CCN(C)c1ncnc2c1CC[N@H+](Cc1c(F)ccc(C#N)c1F)CC2 ZINC001143167681 1031280708 /nfs/dbraw/zinc/28/07/08/1031280708.db2.gz XSLNVGOUYRFEJC-UHFFFAOYSA-N 1 2 357.408 2.683 20 30 FFEDLO CCN(C)c1ncnc2c1CC[N@@H+](Cc1c(F)ccc(C#N)c1F)CC2 ZINC001143167681 1031280712 /nfs/dbraw/zinc/28/07/12/1031280712.db2.gz XSLNVGOUYRFEJC-UHFFFAOYSA-N 1 2 357.408 2.683 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1scc3c1OCCO3)CC2 ZINC001143184852 1031290282 /nfs/dbraw/zinc/29/02/82/1031290282.db2.gz IYFBZHXVIXYVHV-UHFFFAOYSA-N 1 2 361.467 2.514 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1scc3c1OCCO3)CC2 ZINC001143184852 1031290288 /nfs/dbraw/zinc/29/02/88/1031290288.db2.gz IYFBZHXVIXYVHV-UHFFFAOYSA-N 1 2 361.467 2.514 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cnc(C)cc2C(F)(F)F)C1=O ZINC001276476076 1031414133 /nfs/dbraw/zinc/41/41/33/1031414133.db2.gz KBYBDVXBCDGHFM-QGZVFWFLSA-N 1 2 351.372 2.609 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cnc(C)cc2C(F)(F)F)C1=O ZINC001276476076 1031414139 /nfs/dbraw/zinc/41/41/39/1031414139.db2.gz KBYBDVXBCDGHFM-QGZVFWFLSA-N 1 2 351.372 2.609 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(c2)onc3-c2nccs2)CC1 ZINC001150122106 1031662312 /nfs/dbraw/zinc/66/23/12/1031662312.db2.gz YAQYYSHNXQCVDZ-UHFFFAOYSA-N 1 2 354.435 2.895 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001205386235 1031701052 /nfs/dbraw/zinc/70/10/52/1031701052.db2.gz GNOAIAXUBUOQSV-DLBZAZTESA-N 1 2 360.458 2.728 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001223344778 1033404946 /nfs/dbraw/zinc/40/49/46/1033404946.db2.gz NDFPSKSEIKYZQO-SUMDDJOVSA-N 1 2 359.518 2.632 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001223344778 1033404953 /nfs/dbraw/zinc/40/49/53/1033404953.db2.gz NDFPSKSEIKYZQO-SUMDDJOVSA-N 1 2 359.518 2.632 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(CC4CC4)no3)[C@H]2C1 ZINC001223405945 1033432076 /nfs/dbraw/zinc/43/20/76/1033432076.db2.gz IWRXJEBFWHZLGL-SJORKVTESA-N 1 2 358.486 2.801 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(CC4CC4)no3)[C@H]2C1 ZINC001223405945 1033432089 /nfs/dbraw/zinc/43/20/89/1033432089.db2.gz IWRXJEBFWHZLGL-SJORKVTESA-N 1 2 358.486 2.801 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(Br)cc2)C[C@@H]1O ZINC001219344588 1033608689 /nfs/dbraw/zinc/60/86/89/1033608689.db2.gz QHRDQFORUGWLIX-MAZHCROVSA-N 1 2 367.287 2.638 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(Br)cc2)C[C@@H]1O ZINC001219344588 1033608698 /nfs/dbraw/zinc/60/86/98/1033608698.db2.gz QHRDQFORUGWLIX-MAZHCROVSA-N 1 2 367.287 2.638 20 30 FFEDLO CC[C@@H](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001219696147 1033760197 /nfs/dbraw/zinc/76/01/97/1033760197.db2.gz ZQQGOHOXEHCSJH-OLMNPRSZSA-N 1 2 363.527 2.888 20 30 FFEDLO CC[C@@H](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001219696147 1033760210 /nfs/dbraw/zinc/76/02/10/1033760210.db2.gz ZQQGOHOXEHCSJH-OLMNPRSZSA-N 1 2 363.527 2.888 20 30 FFEDLO C[C@H](C#C[Si](C)(C)C)OCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001224733048 1033988191 /nfs/dbraw/zinc/98/81/91/1033988191.db2.gz AFVPPDKDGFVOHG-MRXNPFEDSA-N 1 2 354.567 2.825 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc3ccccc3o2)C[C@@H]1O ZINC001220434591 1034175369 /nfs/dbraw/zinc/17/53/69/1034175369.db2.gz RRIWXJCPMANDFQ-IMJJTQAJSA-N 1 2 357.454 2.652 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc3ccccc3o2)C[C@@H]1O ZINC001220434591 1034175375 /nfs/dbraw/zinc/17/53/75/1034175375.db2.gz RRIWXJCPMANDFQ-IMJJTQAJSA-N 1 2 357.454 2.652 20 30 FFEDLO CCOCCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C#N)cc2Cl)C1=O ZINC001277031175 1034196539 /nfs/dbraw/zinc/19/65/39/1034196539.db2.gz WBDBOWSABWFPAD-LJQANCHMSA-N 1 2 361.873 2.815 20 30 FFEDLO CCOCCN1CC[C@]2(CCC[N@H+]2Cc2ccc(C#N)cc2Cl)C1=O ZINC001277031175 1034196545 /nfs/dbraw/zinc/19/65/45/1034196545.db2.gz WBDBOWSABWFPAD-LJQANCHMSA-N 1 2 361.873 2.815 20 30 FFEDLO C=CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(Cl)c(O)cc3F)C2)C1=O ZINC001277057509 1034327752 /nfs/dbraw/zinc/32/77/52/1034327752.db2.gz SPUNJQSVNRQEER-GOSISDBHSA-N 1 2 366.820 2.712 20 30 FFEDLO C=CCCn1cc(C(=O)N2CC[NH+]([C@H](CC)c3ccc(F)cc3)CC2)nn1 ZINC000831867765 1034360360 /nfs/dbraw/zinc/36/03/60/1034360360.db2.gz FQHDPYSYUSLODT-LJQANCHMSA-N 1 2 371.460 2.902 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cncn2Cc2ccccc2)C1 ZINC001138568475 1034422379 /nfs/dbraw/zinc/42/23/79/1034422379.db2.gz SJTXVNZYHQAGAQ-GOSISDBHSA-N 1 2 354.454 2.808 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cncn2Cc2ccccc2)C1 ZINC001138568475 1034422380 /nfs/dbraw/zinc/42/23/80/1034422380.db2.gz SJTXVNZYHQAGAQ-GOSISDBHSA-N 1 2 354.454 2.808 20 30 FFEDLO CC(=O)[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Cl)c(C#N)c1)CC2 ZINC001277083278 1034450990 /nfs/dbraw/zinc/45/09/90/1034450990.db2.gz DJFIQTFEZYJPRD-CXAGYDPISA-N 1 2 373.884 2.907 20 30 FFEDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Cl)c(C#N)c1 ZINC001277083121 1034451042 /nfs/dbraw/zinc/45/10/42/1034451042.db2.gz ARDIYQSKYVKTOO-NXOUGTEYSA-N 1 2 359.857 2.754 20 30 FFEDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Cl)c(C#N)c1 ZINC001277083121 1034451052 /nfs/dbraw/zinc/45/10/52/1034451052.db2.gz ARDIYQSKYVKTOO-NXOUGTEYSA-N 1 2 359.857 2.754 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1O)c1ccccc1 ZINC001221028718 1034506992 /nfs/dbraw/zinc/50/69/92/1034506992.db2.gz AIFBVVIUBVQURG-NRSPTQNISA-N 1 2 368.452 2.847 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1O)c1ccccc1 ZINC001221028718 1034507000 /nfs/dbraw/zinc/50/70/00/1034507000.db2.gz AIFBVVIUBVQURG-NRSPTQNISA-N 1 2 368.452 2.847 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(-c2ccoc2)n1 ZINC001226095553 1034526412 /nfs/dbraw/zinc/52/64/12/1034526412.db2.gz LNSSFCMNSMJKHV-HZPDHXFCSA-N 1 2 356.426 2.506 20 30 FFEDLO CCCC[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)C(C)C ZINC001221111039 1034550574 /nfs/dbraw/zinc/55/05/74/1034550574.db2.gz UNLACINEPSXUSS-NJYVYQBISA-N 1 2 356.510 2.662 20 30 FFEDLO CCCC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)C(C)C ZINC001221111039 1034550585 /nfs/dbraw/zinc/55/05/85/1034550585.db2.gz UNLACINEPSXUSS-NJYVYQBISA-N 1 2 356.510 2.662 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221417775 1034728044 /nfs/dbraw/zinc/72/80/44/1034728044.db2.gz XCVZHANJLCXIDF-JNAXZKDPSA-N 1 2 371.456 2.545 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221417775 1034728058 /nfs/dbraw/zinc/72/80/58/1034728058.db2.gz XCVZHANJLCXIDF-JNAXZKDPSA-N 1 2 371.456 2.545 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C[C@H]21 ZINC001221421647 1034734028 /nfs/dbraw/zinc/73/40/28/1034734028.db2.gz CXGORXXEMUXQAE-ZSZQSSIHSA-N 1 2 364.436 2.979 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]21 ZINC001221421647 1034734042 /nfs/dbraw/zinc/73/40/42/1034734042.db2.gz CXGORXXEMUXQAE-ZSZQSSIHSA-N 1 2 364.436 2.979 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccnc(Cl)c3)C[C@H]21 ZINC001221422096 1034736046 /nfs/dbraw/zinc/73/60/46/1034736046.db2.gz QQLJGRULVXDVFL-DJIMGWMZSA-N 1 2 363.889 2.749 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccnc(Cl)c3)C[C@H]21 ZINC001221422096 1034736055 /nfs/dbraw/zinc/73/60/55/1034736055.db2.gz QQLJGRULVXDVFL-DJIMGWMZSA-N 1 2 363.889 2.749 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C)cc3)C[C@H]21 ZINC001221424723 1034743071 /nfs/dbraw/zinc/74/30/71/1034743071.db2.gz MLNFMSZPEBVTNU-YQVWRLOYSA-N 1 2 355.482 2.821 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(C)cc3)C[C@H]21 ZINC001221424723 1034743084 /nfs/dbraw/zinc/74/30/84/1034743084.db2.gz MLNFMSZPEBVTNU-YQVWRLOYSA-N 1 2 355.482 2.821 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C)c3)C[C@H]21 ZINC001221425028 1034743505 /nfs/dbraw/zinc/74/35/05/1034743505.db2.gz WTICXCOZWWYMRP-YQVWRLOYSA-N 1 2 355.482 2.821 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc(C)c3)C[C@H]21 ZINC001221425028 1034743521 /nfs/dbraw/zinc/74/35/21/1034743521.db2.gz WTICXCOZWWYMRP-YQVWRLOYSA-N 1 2 355.482 2.821 20 30 FFEDLO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001138856909 1034746298 /nfs/dbraw/zinc/74/62/98/1034746298.db2.gz FCIGXVQBJDPIGW-QGZVFWFLSA-N 1 2 354.410 2.501 20 30 FFEDLO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001138856909 1034746310 /nfs/dbraw/zinc/74/63/10/1034746310.db2.gz FCIGXVQBJDPIGW-QGZVFWFLSA-N 1 2 354.410 2.501 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3OC)C[C@H]21 ZINC001221441655 1034766566 /nfs/dbraw/zinc/76/65/66/1034766566.db2.gz OFSNKJGHWXOTSR-RHSMWYFYSA-N 1 2 364.873 2.584 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Cl)cc3OC)C[C@H]21 ZINC001221441655 1034766578 /nfs/dbraw/zinc/76/65/78/1034766578.db2.gz OFSNKJGHWXOTSR-RHSMWYFYSA-N 1 2 364.873 2.584 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001221493118 1034817685 /nfs/dbraw/zinc/81/76/85/1034817685.db2.gz YJRQPXAQZOUEHQ-GDBMZVCRSA-N 1 2 364.440 2.584 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2CC[N@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001221493118 1034817692 /nfs/dbraw/zinc/81/76/92/1034817692.db2.gz YJRQPXAQZOUEHQ-GDBMZVCRSA-N 1 2 364.440 2.584 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001221539152 1034857795 /nfs/dbraw/zinc/85/77/95/1034857795.db2.gz OOKMMOVVDDDZGS-PMUMKWKESA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001221539152 1034857801 /nfs/dbraw/zinc/85/78/01/1034857801.db2.gz OOKMMOVVDDDZGS-PMUMKWKESA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001221538860 1034857968 /nfs/dbraw/zinc/85/79/68/1034857968.db2.gz DTQXBMPDFIJHHU-DDUZABMNSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001221538860 1034857979 /nfs/dbraw/zinc/85/79/79/1034857979.db2.gz DTQXBMPDFIJHHU-DDUZABMNSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)CCC1 ZINC001221610903 1034917085 /nfs/dbraw/zinc/91/70/85/1034917085.db2.gz GGCDVGDNBFZHSG-TZIWHRDSSA-N 1 2 364.464 2.904 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)CCC1 ZINC001221610903 1034917088 /nfs/dbraw/zinc/91/70/88/1034917088.db2.gz GGCDVGDNBFZHSG-TZIWHRDSSA-N 1 2 364.464 2.904 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3)C[C@H]21 ZINC001221783927 1035064391 /nfs/dbraw/zinc/06/43/91/1035064391.db2.gz XRPSCDYTXPKWOT-YQVWRLOYSA-N 1 2 355.482 2.903 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3)C[C@H]21 ZINC001221783927 1035064395 /nfs/dbraw/zinc/06/43/95/1035064395.db2.gz XRPSCDYTXPKWOT-YQVWRLOYSA-N 1 2 355.482 2.903 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCOc3ccc(F)cc3)[C@@H]2C1 ZINC001221786399 1035068247 /nfs/dbraw/zinc/06/82/47/1035068247.db2.gz UPZFKTZYYWTYEC-RHSMWYFYSA-N 1 2 352.837 2.880 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCOc3ccc(F)cc3)[C@@H]2C1 ZINC001221786399 1035068253 /nfs/dbraw/zinc/06/82/53/1035068253.db2.gz UPZFKTZYYWTYEC-RHSMWYFYSA-N 1 2 352.837 2.880 20 30 FFEDLO C[N@@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001139647385 1035188387 /nfs/dbraw/zinc/18/83/87/1035188387.db2.gz YNVBOHOXWBILCR-MRXNPFEDSA-N 1 2 363.433 2.765 20 30 FFEDLO C[N@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001139647385 1035188390 /nfs/dbraw/zinc/18/83/90/1035188390.db2.gz YNVBOHOXWBILCR-MRXNPFEDSA-N 1 2 363.433 2.765 20 30 FFEDLO C[N@@H+](Cc1cc(C#N)ccc1F)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001139647384 1035188455 /nfs/dbraw/zinc/18/84/55/1035188455.db2.gz YNVBOHOXWBILCR-INIZCTEOSA-N 1 2 363.433 2.765 20 30 FFEDLO C[N@H+](Cc1cc(C#N)ccc1F)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001139647384 1035188456 /nfs/dbraw/zinc/18/84/56/1035188456.db2.gz YNVBOHOXWBILCR-INIZCTEOSA-N 1 2 363.433 2.765 20 30 FFEDLO N#CC1(c2ccc(Br)cc2)CC[NH+](Cc2nccnc2N)CC1 ZINC001140015550 1035307679 /nfs/dbraw/zinc/30/76/79/1035307679.db2.gz FHGVNYDIQVDUCQ-UHFFFAOYSA-N 1 2 372.270 2.879 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cnc3ccc(Cl)cn13)CC2 ZINC001140429527 1035474516 /nfs/dbraw/zinc/47/45/16/1035474516.db2.gz YETNDWCAVYRQES-UHFFFAOYSA-N 1 2 371.872 2.982 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cnc3ccc(Cl)cn13)CC2 ZINC001140429527 1035474520 /nfs/dbraw/zinc/47/45/20/1035474520.db2.gz YETNDWCAVYRQES-UHFFFAOYSA-N 1 2 371.872 2.982 20 30 FFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001232606385 1035858568 /nfs/dbraw/zinc/85/85/68/1035858568.db2.gz OSYHFAKSGLUHMJ-QXAKKESOSA-N 1 2 373.884 2.813 20 30 FFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001232606385 1035858592 /nfs/dbraw/zinc/85/85/92/1035858592.db2.gz OSYHFAKSGLUHMJ-QXAKKESOSA-N 1 2 373.884 2.813 20 30 FFEDLO Cc1ccc(O[C@H]2C[C@H]3CN(Cc4cc(C#N)ccc4O)CC[N@@H+]3C2)cc1 ZINC001232676984 1035935992 /nfs/dbraw/zinc/93/59/92/1035935992.db2.gz WDBMMFCUBCPEBA-FPOVZHCZSA-N 1 2 363.461 2.910 20 30 FFEDLO Cc1ccc(O[C@H]2C[C@H]3CN(Cc4cc(C#N)ccc4O)CC[N@H+]3C2)cc1 ZINC001232676984 1035936003 /nfs/dbraw/zinc/93/60/03/1035936003.db2.gz WDBMMFCUBCPEBA-FPOVZHCZSA-N 1 2 363.461 2.910 20 30 FFEDLO CCOc1cc([C@@H]2OC[C@H](C)O2)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001228164130 1035967407 /nfs/dbraw/zinc/96/74/07/1035967407.db2.gz JFJPUBSFASFBLR-UZDWOMBDSA-N 1 2 361.438 2.510 20 30 FFEDLO CCOc1cc([C@@H]2OC[C@H](C)O2)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001228164130 1035967415 /nfs/dbraw/zinc/96/74/15/1035967415.db2.gz JFJPUBSFASFBLR-UZDWOMBDSA-N 1 2 361.438 2.510 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(F)(F)C(F)F)c1 ZINC001228504290 1036144656 /nfs/dbraw/zinc/14/46/56/1036144656.db2.gz NCYXVXHWDOSWAU-ZIAGYGMSSA-N 1 2 357.351 2.594 20 30 FFEDLO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[N@H+](C)Cc1ccc(C)cc1C#N ZINC001232969319 1036196838 /nfs/dbraw/zinc/19/68/38/1036196838.db2.gz PAXYJLYYOHTSAO-ROUUACIJSA-N 1 2 359.470 2.933 20 30 FFEDLO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[N@@H+](C)Cc1ccc(C)cc1C#N ZINC001232969319 1036196849 /nfs/dbraw/zinc/19/68/49/1036196849.db2.gz PAXYJLYYOHTSAO-ROUUACIJSA-N 1 2 359.470 2.933 20 30 FFEDLO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c(F)c1C#N ZINC001233102996 1036348753 /nfs/dbraw/zinc/34/87/53/1036348753.db2.gz WCDYYPMJDQWVJM-RHSMWYFYSA-N 1 2 374.460 2.814 20 30 FFEDLO CN(C)c1ccc(C[N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c(F)c1C#N ZINC001233102996 1036348767 /nfs/dbraw/zinc/34/87/67/1036348767.db2.gz WCDYYPMJDQWVJM-RHSMWYFYSA-N 1 2 374.460 2.814 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229178072 1036535787 /nfs/dbraw/zinc/53/57/87/1036535787.db2.gz SINFXCXVQSBWNL-SGFYWKOBSA-N 1 2 372.465 2.975 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229178072 1036535796 /nfs/dbraw/zinc/53/57/96/1036535796.db2.gz SINFXCXVQSBWNL-SGFYWKOBSA-N 1 2 372.465 2.975 20 30 FFEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1ncc(Cl)cc1Cl)CC2 ZINC001277801135 1036722391 /nfs/dbraw/zinc/72/23/91/1036722391.db2.gz ANPGQDMEGUDAFS-CYBMUJFWSA-N 1 2 352.265 2.740 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1c[nH]c(=O)c2ccccc12 ZINC001233989462 1036858629 /nfs/dbraw/zinc/85/86/29/1036858629.db2.gz VPZIRRJRMMAZNB-IBGZPJMESA-N 1 2 364.449 2.976 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1c[nH]c(=O)c2ccccc12 ZINC001233989462 1036858651 /nfs/dbraw/zinc/85/86/51/1036858651.db2.gz VPZIRRJRMMAZNB-IBGZPJMESA-N 1 2 364.449 2.976 20 30 FFEDLO COC(=O)[C@H]1C[C@H](Oc2nc(C)c(-c3ccc4[nH+]ccn4c3)cc2C#N)C1 ZINC001229766866 1036879870 /nfs/dbraw/zinc/87/98/70/1036879870.db2.gz UZUYFZKYRKUZLF-KOMQPUFPSA-N 1 2 362.389 2.907 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(F)(F)C(F)F)cn1 ZINC001229800744 1036905769 /nfs/dbraw/zinc/90/57/69/1036905769.db2.gz IUJBKQOGGLLXHT-ZIAGYGMSSA-N 1 2 357.351 2.594 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@]23CCN(CCC(F)(F)F)C3=O)c1 ZINC001277849929 1037003634 /nfs/dbraw/zinc/00/36/34/1037003634.db2.gz JSKRKZXDMGKAAL-KRWDZBQOSA-N 1 2 367.371 2.783 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@]23CCN(CCC(F)(F)F)C3=O)c1 ZINC001277849929 1037003644 /nfs/dbraw/zinc/00/36/44/1037003644.db2.gz JSKRKZXDMGKAAL-KRWDZBQOSA-N 1 2 367.371 2.783 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)NC3CCCC3)CC2)c1 ZINC001277850404 1037007446 /nfs/dbraw/zinc/00/74/46/1037007446.db2.gz SBRORCSRCQMDEV-SFHVURJKSA-N 1 2 353.466 2.925 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@H+]1CCOC[C@H]1CC)c1ccc(F)c(F)c1 ZINC001234566580 1037090234 /nfs/dbraw/zinc/09/02/34/1037090234.db2.gz NWYPKSQMWJGDRK-QAPCUYQASA-N 1 2 367.440 2.992 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1CC)c1ccc(F)c(F)c1 ZINC001234566580 1037090252 /nfs/dbraw/zinc/09/02/52/1037090252.db2.gz NWYPKSQMWJGDRK-QAPCUYQASA-N 1 2 367.440 2.992 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2csnc2OC)C[C@H]1C ZINC001207152749 1037198022 /nfs/dbraw/zinc/19/80/22/1037198022.db2.gz CYKHNORNZCVFCR-ZWNOBZJWSA-N 1 2 357.907 2.867 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2csnc2OC)C[C@H]1C ZINC001207152749 1037198026 /nfs/dbraw/zinc/19/80/26/1037198026.db2.gz CYKHNORNZCVFCR-ZWNOBZJWSA-N 1 2 357.907 2.867 20 30 FFEDLO COc1ccc([N+](=O)[O-])c(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001234880499 1037220045 /nfs/dbraw/zinc/22/00/45/1037220045.db2.gz CTBFQTYBMZVBIO-HNNXBMFYSA-N 1 2 354.366 2.523 20 30 FFEDLO COc1ccc([N+](=O)[O-])c(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001234880499 1037220058 /nfs/dbraw/zinc/22/00/58/1037220058.db2.gz CTBFQTYBMZVBIO-HNNXBMFYSA-N 1 2 354.366 2.523 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCCN2c2nc(N3CCCC3)c(C)c[nH+]2)C1=O ZINC001277926657 1037402475 /nfs/dbraw/zinc/40/24/75/1037402475.db2.gz CWCUWAJOFXVBNI-FQEVSTJZSA-N 1 2 355.486 2.533 20 30 FFEDLO CCOc1nc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(C#N)s1 ZINC001231091896 1037464979 /nfs/dbraw/zinc/46/49/79/1037464979.db2.gz WKGOORNRGXRZST-HNNXBMFYSA-N 1 2 354.435 2.938 20 30 FFEDLO CCOc1nc(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(C#N)s1 ZINC001231091896 1037464990 /nfs/dbraw/zinc/46/49/90/1037464990.db2.gz WKGOORNRGXRZST-HNNXBMFYSA-N 1 2 354.435 2.938 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3noc4c3CCCC4)C[C@H]2C)CCC1 ZINC001207511097 1037509378 /nfs/dbraw/zinc/50/93/78/1037509378.db2.gz ZHPMEEMQHSUYSG-NVXWUHKLSA-N 1 2 355.482 2.684 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3noc4c3CCCC4)C[C@H]2C)CCC1 ZINC001207511097 1037509384 /nfs/dbraw/zinc/50/93/84/1037509384.db2.gz ZHPMEEMQHSUYSG-NVXWUHKLSA-N 1 2 355.482 2.684 20 30 FFEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC)Cc2nn(CC3CC3)cc21 ZINC001231618327 1037741293 /nfs/dbraw/zinc/74/12/93/1037741293.db2.gz FWWIVADHZHUHCH-GOSISDBHSA-N 1 2 366.465 2.919 20 30 FFEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)Cc2nn(CC3CC3)cc21 ZINC001231618327 1037741299 /nfs/dbraw/zinc/74/12/99/1037741299.db2.gz FWWIVADHZHUHCH-GOSISDBHSA-N 1 2 366.465 2.919 20 30 FFEDLO C#Cc1cccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CC(=O)OC)c1 ZINC001231663351 1037784465 /nfs/dbraw/zinc/78/44/65/1037784465.db2.gz QMQWGHULFPVFEC-GOSISDBHSA-N 1 2 372.465 2.652 20 30 FFEDLO C#Cc1cccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CC(=O)OC)c1 ZINC001231663351 1037784478 /nfs/dbraw/zinc/78/44/78/1037784478.db2.gz QMQWGHULFPVFEC-GOSISDBHSA-N 1 2 372.465 2.652 20 30 FFEDLO CCOCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C#N)c(Cl)c2)C1=O ZINC001277596980 1038092727 /nfs/dbraw/zinc/09/27/27/1038092727.db2.gz SRQCEUPQFGLKHN-IBGZPJMESA-N 1 2 361.873 2.815 20 30 FFEDLO CCOCCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C#N)c(Cl)c2)C1=O ZINC001277596980 1038092741 /nfs/dbraw/zinc/09/27/41/1038092741.db2.gz SRQCEUPQFGLKHN-IBGZPJMESA-N 1 2 361.873 2.815 20 30 FFEDLO Cc1cccc(C#N)c1S(=O)(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001208173065 1038109654 /nfs/dbraw/zinc/10/96/54/1038109654.db2.gz BWAYNAZSACJNIC-UHFFFAOYSA-N 1 2 366.446 2.590 20 30 FFEDLO N#CCCCN1CCC2(CC[NH+](Cc3ccc(F)c(O)c3F)CC2)C1=O ZINC001277992528 1038170634 /nfs/dbraw/zinc/17/06/34/1038170634.db2.gz JLBWHGYDODSQGD-UHFFFAOYSA-N 1 2 363.408 2.789 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C3(CC)CCC3)C2)c1 ZINC001208379768 1038269749 /nfs/dbraw/zinc/26/97/49/1038269749.db2.gz QTFJIIDQXPZQBO-VQIMIIECSA-N 1 2 367.493 2.623 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C3(CC)CCC3)C2)c1 ZINC001208379768 1038269759 /nfs/dbraw/zinc/26/97/59/1038269759.db2.gz QTFJIIDQXPZQBO-VQIMIIECSA-N 1 2 367.493 2.623 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC(=C)C)C2)c1 ZINC001208388073 1038274870 /nfs/dbraw/zinc/27/48/70/1038274870.db2.gz GJNHPICKEHPZRD-SQGPQFPESA-N 1 2 367.493 2.645 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC(=C)C)C2)c1 ZINC001208388073 1038274886 /nfs/dbraw/zinc/27/48/86/1038274886.db2.gz GJNHPICKEHPZRD-SQGPQFPESA-N 1 2 367.493 2.645 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)CC(=C)C)C2)c1 ZINC001208388072 1038275026 /nfs/dbraw/zinc/27/50/26/1038275026.db2.gz GJNHPICKEHPZRD-MBOZVWFJSA-N 1 2 367.493 2.645 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)CC(=C)C)C2)c1 ZINC001208388072 1038275037 /nfs/dbraw/zinc/27/50/37/1038275037.db2.gz GJNHPICKEHPZRD-MBOZVWFJSA-N 1 2 367.493 2.645 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC001208391834 1038279347 /nfs/dbraw/zinc/27/93/47/1038279347.db2.gz ZMZZLWUIUSAYLM-RBSFLKMASA-N 1 2 358.442 2.868 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC001208391834 1038279356 /nfs/dbraw/zinc/27/93/56/1038279356.db2.gz ZMZZLWUIUSAYLM-RBSFLKMASA-N 1 2 358.442 2.868 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2cccs2)C[C@H]1C ZINC001208458308 1038328005 /nfs/dbraw/zinc/32/80/05/1038328005.db2.gz CJHJSDQIUWIPGV-BZUAXINKSA-N 1 2 363.527 2.718 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2cccs2)C[C@H]1C ZINC001208458308 1038328015 /nfs/dbraw/zinc/32/80/15/1038328015.db2.gz CJHJSDQIUWIPGV-BZUAXINKSA-N 1 2 363.527 2.718 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cc(O)cc(Br)c2)C1=O ZINC001278027211 1038353101 /nfs/dbraw/zinc/35/31/01/1038353101.db2.gz GHFARHSEKGPSIQ-QGZVFWFLSA-N 1 2 365.271 2.908 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(O)cc(Br)c2)C1=O ZINC001278027211 1038353114 /nfs/dbraw/zinc/35/31/14/1038353114.db2.gz GHFARHSEKGPSIQ-QGZVFWFLSA-N 1 2 365.271 2.908 20 30 FFEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3cc(F)c(F)cc3Cl)C2)OCC1=O ZINC001276576197 1038477112 /nfs/dbraw/zinc/47/71/12/1038477112.db2.gz UVOXJWBYBCKKLI-GOSISDBHSA-N 1 2 370.827 2.998 20 30 FFEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3cc(F)c(F)cc3Cl)C2)OCC1=O ZINC001276576197 1038477117 /nfs/dbraw/zinc/47/71/17/1038477117.db2.gz UVOXJWBYBCKKLI-GOSISDBHSA-N 1 2 370.827 2.998 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH2+]C[C@H]2C#N)C[C@@H]1c1ccccc1 ZINC001256938277 1038660192 /nfs/dbraw/zinc/66/01/92/1038660192.db2.gz BHXMFDSDNZWPSM-IPMKNSEASA-N 1 2 370.497 2.925 20 30 FFEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC001257180979 1038737545 /nfs/dbraw/zinc/73/75/45/1038737545.db2.gz SPXNJFKLKUUWID-SOUVJXGZSA-N 1 2 374.547 2.862 20 30 FFEDLO CCc1cc(C(=O)N2CC3(C2)C[NH+](Cc2scnc2C)C3)ccc1C#N ZINC001279032565 1038911233 /nfs/dbraw/zinc/91/12/33/1038911233.db2.gz ZVIWRPAMVDXMBL-UHFFFAOYSA-N 1 2 366.490 2.844 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cc3c(cn1)OCCC3)CCC2 ZINC001209502113 1038934304 /nfs/dbraw/zinc/93/43/04/1038934304.db2.gz VJNHZEMWCOZEDS-UHFFFAOYSA-N 1 2 354.454 2.712 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cc3c(cn1)OCCC3)CCC2 ZINC001209502113 1038934314 /nfs/dbraw/zinc/93/43/14/1038934314.db2.gz VJNHZEMWCOZEDS-UHFFFAOYSA-N 1 2 354.454 2.712 20 30 FFEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCC(=O)N(Cc2ccccc2)CC1)C(=O)OCC ZINC001258573150 1039434957 /nfs/dbraw/zinc/43/49/57/1039434957.db2.gz DAHCUEUTSZXLGT-DBXWQHBBSA-N 1 2 356.466 2.665 20 30 FFEDLO CCCCCCCC[C@H](O)C[N@@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001252127210 1039441560 /nfs/dbraw/zinc/44/15/60/1039441560.db2.gz YREASWCDMXEJIA-FUHWJXTLSA-N 1 2 352.523 2.955 20 30 FFEDLO CCCCCCCC[C@H](O)C[N@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001252127210 1039441567 /nfs/dbraw/zinc/44/15/67/1039441567.db2.gz YREASWCDMXEJIA-FUHWJXTLSA-N 1 2 352.523 2.955 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)OCCc2ccccc2)C1 ZINC001210693225 1039673773 /nfs/dbraw/zinc/67/37/73/1039673773.db2.gz BXVCFOWZJRNTCB-QGPMSJSTSA-N 1 2 350.890 2.823 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)OCCc2ccccc2)C1 ZINC001210693225 1039673782 /nfs/dbraw/zinc/67/37/82/1039673782.db2.gz BXVCFOWZJRNTCB-QGPMSJSTSA-N 1 2 350.890 2.823 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)OCc2ccc(F)cc2)C1 ZINC001210699695 1039678203 /nfs/dbraw/zinc/67/82/03/1039678203.db2.gz BNNFVKLDZINQSW-SUYBPPKGSA-N 1 2 354.853 2.920 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)OCc2ccc(F)cc2)C1 ZINC001210699695 1039678207 /nfs/dbraw/zinc/67/82/07/1039678207.db2.gz BNNFVKLDZINQSW-SUYBPPKGSA-N 1 2 354.853 2.920 20 30 FFEDLO C=CCCCNC(=S)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001247726664 1039916682 /nfs/dbraw/zinc/91/66/82/1039916682.db2.gz JXGUJAGHLLVKAW-INIZCTEOSA-N 1 2 371.510 2.630 20 30 FFEDLO Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)s1 ZINC001211232499 1040017672 /nfs/dbraw/zinc/01/76/72/1040017672.db2.gz PLXOVSHDXJMYEA-CRAIPNDOSA-N 1 2 353.491 2.830 20 30 FFEDLO Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)s1 ZINC001211232499 1040017685 /nfs/dbraw/zinc/01/76/85/1040017685.db2.gz PLXOVSHDXJMYEA-CRAIPNDOSA-N 1 2 353.491 2.830 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3nnc(C)o3)C[C@H]2C)CCCCC1 ZINC001211410776 1040168573 /nfs/dbraw/zinc/16/85/73/1040168573.db2.gz HQSMNDWVQCYFDF-HLLBOEOZSA-N 1 2 358.486 2.849 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3nnc(C)o3)C[C@H]2C)CCCCC1 ZINC001211410776 1040168577 /nfs/dbraw/zinc/16/85/77/1040168577.db2.gz HQSMNDWVQCYFDF-HLLBOEOZSA-N 1 2 358.486 2.849 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213258005 1040381846 /nfs/dbraw/zinc/38/18/46/1040381846.db2.gz DFWHDIPAMYNVII-RTBURBONSA-N 1 2 358.457 2.595 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213258005 1040381862 /nfs/dbraw/zinc/38/18/62/1040381862.db2.gz DFWHDIPAMYNVII-RTBURBONSA-N 1 2 358.457 2.595 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213257989 1040383183 /nfs/dbraw/zinc/38/31/83/1040383183.db2.gz CUAPNIDVIZHHQE-QZTJIDSGSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213257989 1040383191 /nfs/dbraw/zinc/38/31/91/1040383191.db2.gz CUAPNIDVIZHHQE-QZTJIDSGSA-N 1 2 359.445 2.615 20 30 FFEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO ZINC001248750061 1040392184 /nfs/dbraw/zinc/39/21/84/1040392184.db2.gz VXSTXPCWOZMFOM-SFHVURJKSA-N 1 2 359.470 2.534 20 30 FFEDLO CCc1cc(C#N)ccc1C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO ZINC001248750061 1040392188 /nfs/dbraw/zinc/39/21/88/1040392188.db2.gz VXSTXPCWOZMFOM-SFHVURJKSA-N 1 2 359.470 2.534 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc3ccccc3o2)C[C@H]1OC ZINC001213269207 1040392904 /nfs/dbraw/zinc/39/29/04/1040392904.db2.gz DXQFXDWPGOUKHM-IEBWSBKVSA-N 1 2 369.465 2.727 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2nc3ccccc3o2)C[C@H]1OC ZINC001213269207 1040392919 /nfs/dbraw/zinc/39/29/19/1040392919.db2.gz DXQFXDWPGOUKHM-IEBWSBKVSA-N 1 2 369.465 2.727 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2oc(C(C)C)nc2C)C[C@H]1OC ZINC001213303349 1040426063 /nfs/dbraw/zinc/42/60/63/1040426063.db2.gz KMNYJUSPPLHDAA-SJLPKXTDSA-N 1 2 361.486 2.615 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2oc(C(C)C)nc2C)C[C@H]1OC ZINC001213303349 1040426070 /nfs/dbraw/zinc/42/60/70/1040426070.db2.gz KMNYJUSPPLHDAA-SJLPKXTDSA-N 1 2 361.486 2.615 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2OC)CCC1 ZINC001213385940 1040499923 /nfs/dbraw/zinc/49/99/23/1040499923.db2.gz YJZLVYJOPKRVHM-IAGOWNOFSA-N 1 2 359.495 2.682 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2OC)CCC1 ZINC001213385940 1040499926 /nfs/dbraw/zinc/49/99/26/1040499926.db2.gz YJZLVYJOPKRVHM-IAGOWNOFSA-N 1 2 359.495 2.682 20 30 FFEDLO CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2OC)CC1 ZINC001213410125 1040526411 /nfs/dbraw/zinc/52/64/11/1040526411.db2.gz XZVHOKAQDJVOKQ-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2OC)CC1 ZINC001213410125 1040526429 /nfs/dbraw/zinc/52/64/29/1040526429.db2.gz XZVHOKAQDJVOKQ-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2OC)CC1 ZINC001213409495 1040526491 /nfs/dbraw/zinc/52/64/91/1040526491.db2.gz HCJDGVBASRSPFS-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2OC)CC1 ZINC001213409495 1040526505 /nfs/dbraw/zinc/52/65/05/1040526505.db2.gz HCJDGVBASRSPFS-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO N#Cc1cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)ccc1O ZINC001213487101 1040603181 /nfs/dbraw/zinc/60/31/81/1040603181.db2.gz GSXHXHJNHITBPD-UHFFFAOYSA-N 1 2 357.385 2.858 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)C[C@H]1OC ZINC001213496415 1040610027 /nfs/dbraw/zinc/61/00/27/1040610027.db2.gz PXVSJQSLQRWUEH-SJLPKXTDSA-N 1 2 364.461 2.752 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(F)c2)C[C@H]1OC ZINC001213496415 1040610040 /nfs/dbraw/zinc/61/00/40/1040610040.db2.gz PXVSJQSLQRWUEH-SJLPKXTDSA-N 1 2 364.461 2.752 20 30 FFEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254234320 1040627748 /nfs/dbraw/zinc/62/77/48/1040627748.db2.gz ZZSBHISKXORVKC-CABCVRRESA-N 1 2 368.474 2.646 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3cncs3)C[C@H]2OC)CCCCC1 ZINC001213561993 1040676291 /nfs/dbraw/zinc/67/62/91/1040676291.db2.gz YCAOVRRDOAEPJA-IAGOWNOFSA-N 1 2 363.527 2.985 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](Cc3cncs3)C[C@H]2OC)CCCCC1 ZINC001213561993 1040676294 /nfs/dbraw/zinc/67/62/94/1040676294.db2.gz YCAOVRRDOAEPJA-IAGOWNOFSA-N 1 2 363.527 2.985 20 30 FFEDLO CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213807051 1040934272 /nfs/dbraw/zinc/93/42/72/1040934272.db2.gz UBLJIBSGVMCVOL-RTBURBONSA-N 1 2 361.461 2.983 20 30 FFEDLO CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213807051 1040934292 /nfs/dbraw/zinc/93/42/92/1040934292.db2.gz UBLJIBSGVMCVOL-RTBURBONSA-N 1 2 361.461 2.983 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)Cc3ccccc3)CC2)c1F ZINC001249691617 1040946168 /nfs/dbraw/zinc/94/61/68/1040946168.db2.gz PQVQYBPCRMGICS-UHFFFAOYSA-N 1 2 351.425 2.974 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CCCN(C(=O)Cc3ccccc3)CC2)c1F ZINC001249691617 1040946188 /nfs/dbraw/zinc/94/61/88/1040946188.db2.gz PQVQYBPCRMGICS-UHFFFAOYSA-N 1 2 351.425 2.974 20 30 FFEDLO COc1nc(OC)c(C[NH+]2CCN(c3cccc(C#N)c3)CC2)cc1C ZINC001250341248 1041175536 /nfs/dbraw/zinc/17/55/36/1041175536.db2.gz JTFILGWFECQCQK-UHFFFAOYSA-N 1 2 352.438 2.601 20 30 FFEDLO CC[C@H](CC#N)[NH+]1CCC2(CN(C(=O)CN(C)C)c3ccc(C)cc32)CC1 ZINC001255169307 1041180332 /nfs/dbraw/zinc/18/03/32/1041180332.db2.gz DFCSKELNPSJLOV-GOSISDBHSA-N 1 2 368.525 2.929 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000178140489 1041183710 /nfs/dbraw/zinc/18/37/10/1041183710.db2.gz PHMXIHFYXJREBQ-UHFFFAOYSA-N 1 2 353.422 2.768 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2noc(-c3ccccc3C)n2)C1 ZINC001214527527 1041469470 /nfs/dbraw/zinc/46/94/70/1041469470.db2.gz ZASWCQKXPOBLFI-SJLPKXTDSA-N 1 2 366.465 2.785 20 30 FFEDLO N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H]3Cc4c[nH+]cn4C3)s2)cc1 ZINC001214532012 1041470756 /nfs/dbraw/zinc/47/07/56/1041470756.db2.gz XZOXETCJJJXTRD-CQSZACIVSA-N 1 2 364.434 2.548 20 30 FFEDLO Cc1ccccc1-c1nc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)no1 ZINC001214578582 1041490771 /nfs/dbraw/zinc/49/07/71/1041490771.db2.gz UCYOYEFDMWAPBQ-SJLPKXTDSA-N 1 2 366.465 2.641 20 30 FFEDLO Cn1c[nH+]c(CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 ZINC001214628906 1041510684 /nfs/dbraw/zinc/51/06/84/1041510684.db2.gz FOSMNIUEZVAMRE-UHFFFAOYSA-N 1 2 362.393 2.843 20 30 FFEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1c(F)ccc(O)c1F)CC2 ZINC001276735442 1041963017 /nfs/dbraw/zinc/96/30/17/1041963017.db2.gz URMMORUCWQJDIU-AWEZNQCLSA-N 1 2 350.409 2.965 20 30 FFEDLO N#Cc1ccccc1OCC[N@H+]1CCC[C@@]12CCN(CC(F)(F)F)C2=O ZINC001276743156 1042060327 /nfs/dbraw/zinc/06/03/27/1042060327.db2.gz QAOLHKIFBZOJCK-KRWDZBQOSA-N 1 2 367.371 2.566 20 30 FFEDLO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@]12CCN(CC(F)(F)F)C2=O ZINC001276743156 1042060333 /nfs/dbraw/zinc/06/03/33/1042060333.db2.gz QAOLHKIFBZOJCK-KRWDZBQOSA-N 1 2 367.371 2.566 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cccc(C(F)(F)F)c2O)C1=O ZINC001276743822 1042066691 /nfs/dbraw/zinc/06/66/91/1042066691.db2.gz GFAUXNINAQKLSE-KRWDZBQOSA-N 1 2 352.356 2.611 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(C(F)(F)F)c2O)C1=O ZINC001276743822 1042066694 /nfs/dbraw/zinc/06/66/94/1042066694.db2.gz GFAUXNINAQKLSE-KRWDZBQOSA-N 1 2 352.356 2.611 20 30 FFEDLO COCCn1c(C[NH+]2CCCC2)nnc1N(C)[C@H](C)c1cccc(C#N)c1 ZINC001263270076 1042211050 /nfs/dbraw/zinc/21/10/50/1042211050.db2.gz PVMKSPSQUOBKEP-MRXNPFEDSA-N 1 2 368.485 2.589 20 30 FFEDLO C=C(C)Cn1c(COC2CCC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001263348886 1042254651 /nfs/dbraw/zinc/25/46/51/1042254651.db2.gz FPQKGVIVGMQADU-UHFFFAOYSA-N 1 2 368.485 2.645 20 30 FFEDLO C#C[C@H]1CCCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2CCCOCC)C1 ZINC001263357972 1042259808 /nfs/dbraw/zinc/25/98/08/1042259808.db2.gz WAAVCGKXKYMQNQ-ZWKOTPCHSA-N 1 2 359.518 2.711 20 30 FFEDLO C#C[C@H]1CCCN(c2nnc([C@H]3CCCC[N@H+]3C)n2CCCOCC)C1 ZINC001263357972 1042259814 /nfs/dbraw/zinc/25/98/14/1042259814.db2.gz WAAVCGKXKYMQNQ-ZWKOTPCHSA-N 1 2 359.518 2.711 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@H](CC#N)C2)n1C[C@H]1CCCO1 ZINC001263461179 1042324104 /nfs/dbraw/zinc/32/41/04/1042324104.db2.gz OCFUHCWQKHXCDO-RCCFBDPRSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@H](CC#N)C2)n1C[C@H]1CCCO1 ZINC001263461179 1042324109 /nfs/dbraw/zinc/32/41/09/1042324109.db2.gz OCFUHCWQKHXCDO-RCCFBDPRSA-N 1 2 372.517 2.744 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2oc(C(C)C)nc2C)C[C@@H]1O ZINC001264310020 1042662924 /nfs/dbraw/zinc/66/29/24/1042662924.db2.gz JAQXBRPJADRPBE-SJORKVTESA-N 1 2 361.486 2.536 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2oc(C(C)C)nc2C)C[C@@H]1O ZINC001264310020 1042662927 /nfs/dbraw/zinc/66/29/27/1042662927.db2.gz JAQXBRPJADRPBE-SJORKVTESA-N 1 2 361.486 2.536 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cnns2)CC[C@@H]1c1ccccc1 ZINC001264590858 1042728622 /nfs/dbraw/zinc/72/86/22/1042728622.db2.gz DEXPFQYFWOCTLT-RTBURBONSA-N 1 2 368.506 2.816 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnns2)CC[C@@H]1c1ccccc1 ZINC001264590858 1042728626 /nfs/dbraw/zinc/72/86/26/1042728626.db2.gz DEXPFQYFWOCTLT-RTBURBONSA-N 1 2 368.506 2.816 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nnc(-c3ccco3)o2)[C@@H]1CC ZINC001264616364 1042749177 /nfs/dbraw/zinc/74/91/77/1042749177.db2.gz ZDAAXZHVFQNOOY-JKSUJKDBSA-N 1 2 370.453 2.992 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nnc(-c3ccco3)o2)[C@@H]1CC ZINC001264616364 1042749184 /nfs/dbraw/zinc/74/91/84/1042749184.db2.gz ZDAAXZHVFQNOOY-JKSUJKDBSA-N 1 2 370.453 2.992 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C(C)C)nn3)CC[C@@H]2C1 ZINC001264650440 1042770183 /nfs/dbraw/zinc/77/01/83/1042770183.db2.gz QOWAOQVBWDGABB-KURKYZTESA-N 1 2 359.518 2.742 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[N@H+](Cc3cn(C(C)C)nn3)CC[C@@H]2C1 ZINC001264650440 1042770185 /nfs/dbraw/zinc/77/01/85/1042770185.db2.gz QOWAOQVBWDGABB-KURKYZTESA-N 1 2 359.518 2.742 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3Cc4ccccc4O3)CC2)cc1 ZINC001538547580 1070451207 /nfs/dbraw/zinc/45/12/07/1070451207.db2.gz LQUSRTJYFSMJJH-FQEVSTJZSA-N 1 2 361.445 2.596 20 30 FFEDLO Cn1cc(CN2CCC23C[NH+](Cc2ccc4scnc4c2)C3)cc1C#N ZINC001279250877 1042966853 /nfs/dbraw/zinc/96/68/53/1042966853.db2.gz HLHYLKIGNRMASL-UHFFFAOYSA-N 1 2 363.490 2.967 20 30 FFEDLO Cc1ccc(C[NH+]2CC3(CN(C(=O)C4(C#N)CCOCC4)C3)C2)c(Cl)c1 ZINC001279319488 1042998644 /nfs/dbraw/zinc/99/86/44/1042998644.db2.gz QEQGEHKWENZTJX-UHFFFAOYSA-N 1 2 373.884 2.613 20 30 FFEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237606871 1043266278 /nfs/dbraw/zinc/26/62/78/1043266278.db2.gz PXSDRXKSPVUYDI-GOEBONIOSA-N 1 2 369.469 2.941 20 30 FFEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237606871 1043266286 /nfs/dbraw/zinc/26/62/86/1043266286.db2.gz PXSDRXKSPVUYDI-GOEBONIOSA-N 1 2 369.469 2.941 20 30 FFEDLO C#CC[NH+]1CCN(Cc2c(F)cc(C(=O)OC(C)(C)C)cc2F)CC1 ZINC001237870299 1043407403 /nfs/dbraw/zinc/40/74/03/1043407403.db2.gz WTHHUZHNNNJTTD-UHFFFAOYSA-N 1 2 350.409 2.671 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1ncc(-c2ccccc2)o1 ZINC001317487479 1043672529 /nfs/dbraw/zinc/67/25/29/1043672529.db2.gz MHIGBOURPQHIMH-MSOLQXFVSA-N 1 2 369.465 2.871 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](CC)Cc1ncc(-c2ccccc2)o1 ZINC001317487479 1043672537 /nfs/dbraw/zinc/67/25/37/1043672537.db2.gz MHIGBOURPQHIMH-MSOLQXFVSA-N 1 2 369.465 2.871 20 30 FFEDLO N#CCC1CN(C(=O)[C@@H]2CC23CC[NH+](Cc2cnc(Cl)s2)CC3)C1 ZINC001279843891 1043760585 /nfs/dbraw/zinc/76/05/85/1043760585.db2.gz VSOLAESRSLIVTL-AWEZNQCLSA-N 1 2 364.902 2.771 20 30 FFEDLO N#CCC[N@H+]1CCCC2(CN(C(=O)NC34CC5CC(CC(C5)C3)C4)C2)C1 ZINC001280181798 1044364234 /nfs/dbraw/zinc/36/42/34/1044364234.db2.gz WJEVWGFUWYSMBQ-UHFFFAOYSA-N 1 2 356.514 2.976 20 30 FFEDLO N#CCC[N@@H+]1CCCC2(CN(C(=O)NC34CC5CC(CC(C5)C3)C4)C2)C1 ZINC001280181798 1044364238 /nfs/dbraw/zinc/36/42/38/1044364238.db2.gz WJEVWGFUWYSMBQ-UHFFFAOYSA-N 1 2 356.514 2.976 20 30 FFEDLO C=C(C)[C@@H]1CC=C(C[NH+]2CC3(C2)CC[C@H](C(=O)Nc2cn[nH]c2)O3)CC1 ZINC001280234348 1044438733 /nfs/dbraw/zinc/43/87/33/1044438733.db2.gz GZXYXSKUPRTMPG-SJLPKXTDSA-N 1 2 356.470 2.884 20 30 FFEDLO N#Cc1ccc(C[NH+]2CC3(C[C@H]3C(=O)NC3CCC(F)CC3)C2)c(F)c1 ZINC001280323426 1044605566 /nfs/dbraw/zinc/60/55/66/1044605566.db2.gz WHQQNCCYIPEVFL-JCYILVPMSA-N 1 2 359.420 2.916 20 30 FFEDLO C=CC1(CC(=O)N[C@H]2CC[N@H+](Cc3cnn(C)n3)[C@@H]2CC)CCCCC1 ZINC001316737826 1044873270 /nfs/dbraw/zinc/87/32/70/1044873270.db2.gz BNGAROWPUDXFHZ-ZWKOTPCHSA-N 1 2 359.518 2.811 20 30 FFEDLO C=CC1(CC(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)n3)[C@@H]2CC)CCCCC1 ZINC001316737826 1044873296 /nfs/dbraw/zinc/87/32/96/1044873296.db2.gz BNGAROWPUDXFHZ-ZWKOTPCHSA-N 1 2 359.518 2.811 20 30 FFEDLO N#Cc1nc2[nH]ccc2cc1-c1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001244134673 1045086023 /nfs/dbraw/zinc/08/60/23/1045086023.db2.gz HPLIFJVWIZRWEE-UHFFFAOYSA-N 1 2 366.396 2.903 20 30 FFEDLO COC(=O)N1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001319357504 1045121834 /nfs/dbraw/zinc/12/18/34/1045121834.db2.gz DDKOLOCGUFVJTJ-UHFFFAOYSA-N 1 2 356.344 2.711 20 30 FFEDLO COC(=O)N1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001319357504 1045121839 /nfs/dbraw/zinc/12/18/39/1045121839.db2.gz DDKOLOCGUFVJTJ-UHFFFAOYSA-N 1 2 356.344 2.711 20 30 FFEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC001319676713 1045236671 /nfs/dbraw/zinc/23/66/71/1045236671.db2.gz ZCOWPGQCQYMBEE-QFIPXVFZSA-N 1 2 361.445 2.910 20 30 FFEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC001319676713 1045236676 /nfs/dbraw/zinc/23/66/76/1045236676.db2.gz ZCOWPGQCQYMBEE-QFIPXVFZSA-N 1 2 361.445 2.910 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC001539430870 1070636628 /nfs/dbraw/zinc/63/66/28/1070636628.db2.gz MZUUMASWQUUYJL-QYZOEREBSA-N 1 2 373.545 2.608 20 30 FFEDLO Cc1oc(NC(=O)CN2CCC[C@H]2CNc2cccc(C)[nH+]2)c(C#N)c1C ZINC001320050401 1045337826 /nfs/dbraw/zinc/33/78/26/1045337826.db2.gz FBMNTAINWOVKAN-INIZCTEOSA-N 1 2 367.453 2.987 20 30 FFEDLO C=CC1(CC(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C)CCCCC1 ZINC001282363375 1045542893 /nfs/dbraw/zinc/54/28/93/1045542893.db2.gz HAYQOCMEVVCFSY-SJORKVTESA-N 1 2 358.486 2.515 20 30 FFEDLO C#CC[N@H+](CC1CC1)[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC001325513217 1046535386 /nfs/dbraw/zinc/53/53/86/1046535386.db2.gz RUVVCMWGJVMCHB-LBPRGKRZSA-N 1 2 373.478 2.876 20 30 FFEDLO C#CC[N@@H+](CC1CC1)[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC001325513217 1046535395 /nfs/dbraw/zinc/53/53/95/1046535395.db2.gz RUVVCMWGJVMCHB-LBPRGKRZSA-N 1 2 373.478 2.876 20 30 FFEDLO COC(=O)c1ccc(C=NOCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001326217835 1046818011 /nfs/dbraw/zinc/81/80/11/1046818011.db2.gz JZYWJZJXWYMRLX-UHFFFAOYSA-N 1 2 368.433 2.856 20 30 FFEDLO C=CC[C@H](CC)NC(=O)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC001326689517 1047036991 /nfs/dbraw/zinc/03/69/91/1047036991.db2.gz GVPANLAABUSFQM-SFHVURJKSA-N 1 2 372.513 2.617 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(C(C)(C)C)n1CCc1cn2ccccc2[nH+]1 ZINC001286273061 1047058476 /nfs/dbraw/zinc/05/84/76/1047058476.db2.gz GIHOEFUPUYPEAS-HNNXBMFYSA-N 1 2 350.470 2.924 20 30 FFEDLO C=CCN(CCOC)c1nnc(C(C)C)n1CCc1cn2ccccc2[nH+]1 ZINC001286765063 1047173805 /nfs/dbraw/zinc/17/38/05/1047173805.db2.gz LGEPDDWONAOKNC-UHFFFAOYSA-N 1 2 368.485 2.931 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](CN2Cc3ccc(Br)cc3C2=O)C1 ZINC001327190892 1047227459 /nfs/dbraw/zinc/22/74/59/1047227459.db2.gz KZYXJTASAWTRSY-CQSZACIVSA-N 1 2 351.244 2.639 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](CN2Cc3ccc(Br)cc3C2=O)C1 ZINC001327190892 1047227472 /nfs/dbraw/zinc/22/74/72/1047227472.db2.gz KZYXJTASAWTRSY-CQSZACIVSA-N 1 2 351.244 2.639 20 30 FFEDLO C=CCCCC(=O)N1CCCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001290565440 1048218980 /nfs/dbraw/zinc/21/89/80/1048218980.db2.gz HSIQOGIQSMAMNT-BRWVUGGUSA-N 1 2 358.486 2.757 20 30 FFEDLO C=CCCCC(=O)N1CCCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001290565440 1048218991 /nfs/dbraw/zinc/21/89/91/1048218991.db2.gz HSIQOGIQSMAMNT-BRWVUGGUSA-N 1 2 358.486 2.757 20 30 FFEDLO C=C(Cl)C[NH+]1CCC(CO)(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC001328554149 1048353529 /nfs/dbraw/zinc/35/35/29/1048353529.db2.gz DERRTAHYFVAWBD-MJGOQNOKSA-N 1 2 362.901 2.876 20 30 FFEDLO CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291532102 1048696988 /nfs/dbraw/zinc/69/69/88/1048696988.db2.gz MJXWGEAWORGWAR-ZWOKBUDYSA-N 1 2 374.533 2.642 20 30 FFEDLO CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291532102 1048696991 /nfs/dbraw/zinc/69/69/91/1048696991.db2.gz MJXWGEAWORGWAR-ZWOKBUDYSA-N 1 2 374.533 2.642 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)Nc2ccc(OCC#N)cc2)cc1 ZINC001329760656 1048897084 /nfs/dbraw/zinc/89/70/84/1048897084.db2.gz WKBHXXPLCDSFNS-LJQANCHMSA-N 1 2 351.406 2.811 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)Nc2ccc(OCC#N)cc2)cc1 ZINC001329760656 1048897095 /nfs/dbraw/zinc/89/70/95/1048897095.db2.gz WKBHXXPLCDSFNS-LJQANCHMSA-N 1 2 351.406 2.811 20 30 FFEDLO CCc1nnc(N2CCC(C#N)CC2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001292918350 1049438884 /nfs/dbraw/zinc/43/88/84/1049438884.db2.gz CVCYSPYRXALDKR-UHFFFAOYSA-N 1 2 367.501 2.870 20 30 FFEDLO C#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC001339706839 1050143594 /nfs/dbraw/zinc/14/35/94/1050143594.db2.gz NVALFGBQTWLDQW-SUMWQHHRSA-N 1 2 370.840 2.566 20 30 FFEDLO C=CC(C)(C)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001297520743 1050200827 /nfs/dbraw/zinc/20/08/27/1050200827.db2.gz LEFILFLPUVEEGF-HUUCEWRRSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CC(C)(C)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001297520743 1050200837 /nfs/dbraw/zinc/20/08/37/1050200837.db2.gz LEFILFLPUVEEGF-HUUCEWRRSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCn1c(N(Cc2cccs2)C2CC2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339853552 1050270435 /nfs/dbraw/zinc/27/04/35/1050270435.db2.gz IOVWKEYMHWSLBR-BEFAXECRSA-N 1 2 373.526 2.606 20 30 FFEDLO C=CCn1c(N(Cc2cccs2)C2CC2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339853552 1050270449 /nfs/dbraw/zinc/27/04/49/1050270449.db2.gz IOVWKEYMHWSLBR-BEFAXECRSA-N 1 2 373.526 2.606 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C3CCCC3)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339857719 1050274781 /nfs/dbraw/zinc/27/47/81/1050274781.db2.gz XVMDANOBSBKLKO-WAOWUJCRSA-N 1 2 373.545 2.782 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C3CCCC3)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339857719 1050274794 /nfs/dbraw/zinc/27/47/94/1050274794.db2.gz XVMDANOBSBKLKO-WAOWUJCRSA-N 1 2 373.545 2.782 20 30 FFEDLO C=CCCCN(CC)c1nnc(-c2ccc(C[NH+]3CCOCC3)cn2)n1C ZINC001339963277 1050378967 /nfs/dbraw/zinc/37/89/67/1050378967.db2.gz MGDFCJSNTAVDNW-UHFFFAOYSA-N 1 2 370.501 2.502 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C)C(C)(C)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001341839382 1050451534 /nfs/dbraw/zinc/45/15/34/1050451534.db2.gz NQSVVXYDKOBLMR-FTRWYGJKSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C)C(C)(C)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001341839382 1050451538 /nfs/dbraw/zinc/45/15/38/1050451538.db2.gz NQSVVXYDKOBLMR-FTRWYGJKSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC2(CCCC2)OC[C@H]1C ZINC001341854349 1050465596 /nfs/dbraw/zinc/46/55/96/1050465596.db2.gz SGPFPZNAGCLRCV-QGZVFWFLSA-N 1 2 359.518 2.988 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)C[C@H]1CCCO1 ZINC001342007121 1050604151 /nfs/dbraw/zinc/60/41/51/1050604151.db2.gz UGTZIBLVHBTETM-GOSISDBHSA-N 1 2 372.517 2.562 20 30 FFEDLO N#Cc1cccnc1NCc1cccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c1 ZINC001299814007 1050613615 /nfs/dbraw/zinc/61/36/15/1050613615.db2.gz RMQPZHFMSZTURL-SFHVURJKSA-N 1 2 372.432 2.507 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)Cc1cc2ccccc2o1 ZINC001340258798 1050664772 /nfs/dbraw/zinc/66/47/72/1050664772.db2.gz NSZGBGUJRQNLMV-DOTOQJQBSA-N 1 2 367.453 2.584 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)Cc1cc2ccccc2o1 ZINC001340258798 1050664776 /nfs/dbraw/zinc/66/47/76/1050664776.db2.gz NSZGBGUJRQNLMV-DOTOQJQBSA-N 1 2 367.453 2.584 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001342070835 1050667733 /nfs/dbraw/zinc/66/77/33/1050667733.db2.gz IHLODWHJKNJAOV-ABHNRTSZSA-N 1 2 374.533 2.504 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001342070835 1050667742 /nfs/dbraw/zinc/66/77/42/1050667742.db2.gz IHLODWHJKNJAOV-ABHNRTSZSA-N 1 2 374.533 2.504 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](Cc3ccccc3)CCO2)nnc1N1CCCC1 ZINC001340308235 1050707543 /nfs/dbraw/zinc/70/75/43/1050707543.db2.gz FRPAOHHCYQYODO-GOSISDBHSA-N 1 2 353.470 2.638 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](Cc3ccccc3)CCO2)nnc1N1CCCC1 ZINC001340308235 1050707552 /nfs/dbraw/zinc/70/75/52/1050707552.db2.gz FRPAOHHCYQYODO-GOSISDBHSA-N 1 2 353.470 2.638 20 30 FFEDLO C=CCN(C)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1Cc1ccccc1 ZINC001340362317 1050756883 /nfs/dbraw/zinc/75/68/83/1050756883.db2.gz CBYXYHNDKOIOQQ-GOSISDBHSA-N 1 2 355.486 2.730 20 30 FFEDLO C=CCN(C)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1Cc1ccccc1 ZINC001340362317 1050756888 /nfs/dbraw/zinc/75/68/88/1050756888.db2.gz CBYXYHNDKOIOQQ-GOSISDBHSA-N 1 2 355.486 2.730 20 30 FFEDLO C=C1CCN(c2nnc([C@H]3CCCO3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001301097452 1050812941 /nfs/dbraw/zinc/81/29/41/1050812941.db2.gz WYJLZSWVLXOWGP-QGZVFWFLSA-N 1 2 355.442 2.738 20 30 FFEDLO C#CC[C@@H](CCOC)NC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001340526163 1050919052 /nfs/dbraw/zinc/91/90/52/1050919052.db2.gz MRXKURXNHMRBMA-SJORKVTESA-N 1 2 360.502 2.956 20 30 FFEDLO C=CCn1c(N(C)c2cccc(C)c2C)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340703096 1051067637 /nfs/dbraw/zinc/06/76/37/1051067637.db2.gz UVYNABSOHXNWLW-OXQOHEQNSA-N 1 2 355.486 2.760 20 30 FFEDLO C=CCn1c(N(C)c2cccc(C)c2C)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340703096 1051067648 /nfs/dbraw/zinc/06/76/48/1051067648.db2.gz UVYNABSOHXNWLW-OXQOHEQNSA-N 1 2 355.486 2.760 20 30 FFEDLO C[C@H](CC#N)N(C)c1nnc(Cc2[nH+]ccn2C)n1CCc1ccccc1 ZINC001340750638 1051106247 /nfs/dbraw/zinc/10/62/47/1051106247.db2.gz ILEMBWLUTXEILV-MRXNPFEDSA-N 1 2 363.469 2.583 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[C@H]2C)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001342761845 1051377206 /nfs/dbraw/zinc/37/72/06/1051377206.db2.gz OSQCYTNOPZOXEX-SJLPKXTDSA-N 1 2 352.486 2.695 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)COC)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001316731679 1051485474 /nfs/dbraw/zinc/48/54/74/1051485474.db2.gz NMIPZPSRFUWTNT-ZYSHUDEJSA-N 1 2 362.901 2.943 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)COC)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001316731679 1051485481 /nfs/dbraw/zinc/48/54/81/1051485481.db2.gz NMIPZPSRFUWTNT-ZYSHUDEJSA-N 1 2 362.901 2.943 20 30 FFEDLO C#CCOCC[N@@H+](C)Cc1nc(-c2cccc(Br)c2)no1 ZINC001341255250 1051613589 /nfs/dbraw/zinc/61/35/89/1051613589.db2.gz AXIXNQNCBMGAHZ-UHFFFAOYSA-N 1 2 350.216 2.581 20 30 FFEDLO C#CCOCC[N@H+](C)Cc1nc(-c2cccc(Br)c2)no1 ZINC001341255250 1051613597 /nfs/dbraw/zinc/61/35/97/1051613597.db2.gz AXIXNQNCBMGAHZ-UHFFFAOYSA-N 1 2 350.216 2.581 20 30 FFEDLO CCn1c(C[NH+]2CCCCC2)nnc1N(C)CCc1cccc(C#N)c1 ZINC001341308303 1051663931 /nfs/dbraw/zinc/66/39/31/1051663931.db2.gz DERLBWXJHQUSJW-UHFFFAOYSA-N 1 2 352.486 2.834 20 30 FFEDLO CC[C@H](C)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001305406810 1051881033 /nfs/dbraw/zinc/88/10/33/1051881033.db2.gz LAIUEHLOXPZCAX-DLBZAZTESA-N 1 2 374.533 2.642 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cccn2)[C@H]1CC ZINC001316738618 1051950326 /nfs/dbraw/zinc/95/03/26/1051950326.db2.gz HRTCMWZYPZMGOX-SOUVJXGZSA-N 1 2 369.307 2.712 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cccn2)[C@H]1CC ZINC001316738618 1051950335 /nfs/dbraw/zinc/95/03/35/1051950335.db2.gz HRTCMWZYPZMGOX-SOUVJXGZSA-N 1 2 369.307 2.712 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCO1 ZINC001343340780 1052173114 /nfs/dbraw/zinc/17/31/14/1052173114.db2.gz IUJYXEOBJHNFID-ZWKOTPCHSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCO1 ZINC001343340780 1052173118 /nfs/dbraw/zinc/17/31/18/1052173118.db2.gz IUJYXEOBJHNFID-ZWKOTPCHSA-N 1 2 372.517 2.744 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC=C(c3ccccn3)C2)c1 ZINC001307788806 1052349388 /nfs/dbraw/zinc/34/93/88/1052349388.db2.gz UWXIDEGZTMFMKU-UHFFFAOYSA-N 1 2 360.417 2.500 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC=C(c3ccccn3)C2)c1 ZINC001307788806 1052349397 /nfs/dbraw/zinc/34/93/97/1052349397.db2.gz UWXIDEGZTMFMKU-UHFFFAOYSA-N 1 2 360.417 2.500 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@@](C)(CC)C1 ZINC001343668359 1052365530 /nfs/dbraw/zinc/36/55/30/1052365530.db2.gz KOAXNKROYHEJRR-HXUWFJFHSA-N 1 2 361.534 2.685 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001308011971 1052383509 /nfs/dbraw/zinc/38/35/09/1052383509.db2.gz UWPOQPKMWCPUDT-XLIONFOSSA-N 1 2 354.498 2.717 20 30 FFEDLO C=C(C)Cn1c([C@@H](CC)CO)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001343719719 1052387971 /nfs/dbraw/zinc/38/79/71/1052387971.db2.gz LSWSQSUYJICAMI-INIZCTEOSA-N 1 2 370.501 2.816 20 30 FFEDLO COc1ccc(C#N)cc1C[NH+]1CCC(n2c(=O)[nH]c3cccnc32)CC1 ZINC001308080433 1052401163 /nfs/dbraw/zinc/40/11/63/1052401163.db2.gz XWNGRIGSYHVSGJ-UHFFFAOYSA-N 1 2 363.421 2.854 20 30 FFEDLO C[C@H]([NH2+][C@H](CO)c1cc(F)ccc1F)C(=O)N(CCC#N)c1ccccc1 ZINC001308156987 1052419281 /nfs/dbraw/zinc/41/92/81/1052419281.db2.gz AHBXZUAZLQQYPS-IFXJQAMLSA-N 1 2 373.403 2.923 20 30 FFEDLO C=CC[C@H]([NH2+]CCC1(NC(=O)OC(C)(C)C)CCOCC1)C(=O)OCC ZINC001308741444 1052493156 /nfs/dbraw/zinc/49/31/56/1052493156.db2.gz UXUJUCXJNUXABQ-HNNXBMFYSA-N 1 2 370.490 2.548 20 30 FFEDLO CC[C@H](C)N(CC)c1nnc(C2CC[NH+](CCC#N)CC2)n1CCOC ZINC001345705639 1052582766 /nfs/dbraw/zinc/58/27/66/1052582766.db2.gz IFSWDCJVLNTWEQ-INIZCTEOSA-N 1 2 362.522 2.642 20 30 FFEDLO CN(Cc1cc(C#N)cs1)c1nnc(C[NH+]2CCCC2)n1CC1CC1 ZINC001346107429 1052750415 /nfs/dbraw/zinc/75/04/15/1052750415.db2.gz ODUBRSYEXLWHTC-UHFFFAOYSA-N 1 2 356.499 2.853 20 30 FFEDLO C=C[C@H](COC)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001344453766 1052778106 /nfs/dbraw/zinc/77/81/06/1052778106.db2.gz XUMGMKYNKJTAOQ-QGZVFWFLSA-N 1 2 362.861 2.949 20 30 FFEDLO CCOCCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](C)C1 ZINC001346977872 1053501393 /nfs/dbraw/zinc/50/13/93/1053501393.db2.gz SYKIUXPVECRJBP-QGZVFWFLSA-N 1 2 374.533 2.644 20 30 FFEDLO CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001337185711 1054541401 /nfs/dbraw/zinc/54/14/01/1054541401.db2.gz KAFFQMAHWYARRT-YESZJQIVSA-N 1 2 374.485 2.599 20 30 FFEDLO C=CCN(CCOC)c1nnc([C@@H]2CCC[N@@H+]2C)n1Cc1cccs1 ZINC001348391545 1054668940 /nfs/dbraw/zinc/66/89/40/1054668940.db2.gz JWEKQJUSFCDCPQ-INIZCTEOSA-N 1 2 361.515 2.793 20 30 FFEDLO C=CCN(CCOC)c1nnc([C@@H]2CCC[N@H+]2C)n1Cc1cccs1 ZINC001348391545 1054668950 /nfs/dbraw/zinc/66/89/50/1054668950.db2.gz JWEKQJUSFCDCPQ-INIZCTEOSA-N 1 2 361.515 2.793 20 30 FFEDLO N#CC1(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CCOCC1 ZINC001337538722 1054829151 /nfs/dbraw/zinc/82/91/51/1054829151.db2.gz IAMMDSHMBCIOOO-GOSISDBHSA-N 1 2 359.445 2.617 20 30 FFEDLO N#CC1(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CCOCC1 ZINC001337538722 1054829159 /nfs/dbraw/zinc/82/91/59/1054829159.db2.gz IAMMDSHMBCIOOO-GOSISDBHSA-N 1 2 359.445 2.617 20 30 FFEDLO C=CCn1c([C@H](C)SC)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001351818897 1055017223 /nfs/dbraw/zinc/01/72/23/1055017223.db2.gz LCOZKGBLRADBAI-AWEZNQCLSA-N 1 2 362.503 2.507 20 30 FFEDLO C#Cc1cccc(N(C)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1 ZINC000847159243 1055156308 /nfs/dbraw/zinc/15/63/08/1055156308.db2.gz VXNBWNHBYPQAMA-UHFFFAOYSA-N 1 2 350.422 2.876 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccc(F)cc2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001352061741 1055163854 /nfs/dbraw/zinc/16/38/54/1055163854.db2.gz AUJYDEYPBFQYJE-LIVBEALHSA-N 1 2 373.476 2.712 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccc(F)cc2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001352061741 1055163861 /nfs/dbraw/zinc/16/38/61/1055163861.db2.gz AUJYDEYPBFQYJE-LIVBEALHSA-N 1 2 373.476 2.712 20 30 FFEDLO CN(CCc1cccs1)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001338139287 1055265171 /nfs/dbraw/zinc/26/51/71/1055265171.db2.gz RJXJZXHOSCFQDG-UHFFFAOYSA-N 1 2 358.515 2.649 20 30 FFEDLO C=CCN(c1nnc([C@@H]2CCCC[N@H+]2C)n1Cc1cc(C)on1)C1CC1 ZINC001349758221 1055451175 /nfs/dbraw/zinc/45/11/75/1055451175.db2.gz LECHCDPEGSVMBN-KRWDZBQOSA-N 1 2 356.474 2.934 20 30 FFEDLO C=CCN(c1nnc([C@@H]2CCCC[N@@H+]2C)n1Cc1cc(C)on1)C1CC1 ZINC001349758221 1055451179 /nfs/dbraw/zinc/45/11/79/1055451179.db2.gz LECHCDPEGSVMBN-KRWDZBQOSA-N 1 2 356.474 2.934 20 30 FFEDLO C=C1CC(C)(C(=O)NCCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001356974103 1055733420 /nfs/dbraw/zinc/73/34/20/1055733420.db2.gz BIKIFKDZBKNTKR-IAGOWNOFSA-N 1 2 370.497 2.614 20 30 FFEDLO C=C1CC(C)(C(=O)NCCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001356974103 1055733432 /nfs/dbraw/zinc/73/34/32/1055733432.db2.gz BIKIFKDZBKNTKR-IAGOWNOFSA-N 1 2 370.497 2.614 20 30 FFEDLO C=CCCCC(=O)NCCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001356974688 1055733771 /nfs/dbraw/zinc/73/37/71/1055733771.db2.gz XTIZVFUFZZLCPU-IAGOWNOFSA-N 1 2 358.486 2.614 20 30 FFEDLO C=CCCCC(=O)NCCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001356974688 1055733776 /nfs/dbraw/zinc/73/37/76/1055733776.db2.gz XTIZVFUFZZLCPU-IAGOWNOFSA-N 1 2 358.486 2.614 20 30 FFEDLO N#Cc1c(F)cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC001357166032 1055801404 /nfs/dbraw/zinc/80/14/04/1055801404.db2.gz KAAMDCPBEJIHLT-FQEVSTJZSA-N 1 2 357.404 2.563 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)[C@@H](C)c1ccc(F)cc1 ZINC001338775121 1055801580 /nfs/dbraw/zinc/80/15/80/1055801580.db2.gz UYEQDQAXERRPPW-JQFCIGGWSA-N 1 2 359.449 2.538 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)[C@@H](C)c1ccc(F)cc1 ZINC001338775121 1055801586 /nfs/dbraw/zinc/80/15/86/1055801586.db2.gz UYEQDQAXERRPPW-JQFCIGGWSA-N 1 2 359.449 2.538 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@H]1c1ccccc1C ZINC001338773539 1055802558 /nfs/dbraw/zinc/80/25/58/1055802558.db2.gz PZHUCXYEYYAOTO-NEWSRXKRSA-N 1 2 367.497 2.852 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@H]1c1ccccc1C ZINC001338773539 1055802569 /nfs/dbraw/zinc/80/25/69/1055802569.db2.gz PZHUCXYEYYAOTO-NEWSRXKRSA-N 1 2 367.497 2.852 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](Cc3ccccc3)CCO2)nnc1N(C)CCCF ZINC001338806448 1055833708 /nfs/dbraw/zinc/83/37/08/1055833708.db2.gz DEIYNRZVLZGEHF-GOSISDBHSA-N 1 2 373.476 2.833 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](Cc3ccccc3)CCO2)nnc1N(C)CCCF ZINC001338806448 1055833717 /nfs/dbraw/zinc/83/37/17/1055833717.db2.gz DEIYNRZVLZGEHF-GOSISDBHSA-N 1 2 373.476 2.833 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)Cc1ccccc1C ZINC001338834356 1055856713 /nfs/dbraw/zinc/85/67/13/1055856713.db2.gz LOZRYFYLEBECTP-UHFFFAOYSA-N 1 2 369.513 2.613 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001338994669 1055998065 /nfs/dbraw/zinc/99/80/65/1055998065.db2.gz HJGWIVCSCZJTIE-IYBDPMFKSA-N 1 2 374.558 2.887 20 30 FFEDLO C=CCC1(C(=O)NCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CCC1 ZINC001350988302 1056027994 /nfs/dbraw/zinc/02/79/94/1056027994.db2.gz UHZODNDJEXFEIK-IAGOWNOFSA-N 1 2 370.497 2.614 20 30 FFEDLO C=CCC1(C(=O)NCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CCC1 ZINC001350988302 1056028011 /nfs/dbraw/zinc/02/80/11/1056028011.db2.gz UHZODNDJEXFEIK-IAGOWNOFSA-N 1 2 370.497 2.614 20 30 FFEDLO CC(C)(C#N)c1nnc(N2CCC(Nc3cccc[nH+]3)CC2)n1CC1CC1 ZINC001351334439 1056203921 /nfs/dbraw/zinc/20/39/21/1056203921.db2.gz XKVUWTAWUCETPY-UHFFFAOYSA-N 1 2 365.485 2.965 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1cc(F)cc(F)c1 ZINC001339210528 1056209050 /nfs/dbraw/zinc/20/90/50/1056209050.db2.gz JZQBVGCEYDJNJT-UHFFFAOYSA-N 1 2 358.396 2.703 20 30 FFEDLO C#CCCCn1c(C2CCC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001358927499 1056605057 /nfs/dbraw/zinc/60/50/57/1056605057.db2.gz AVHDXIBWDAEESD-UHFFFAOYSA-N 1 2 350.470 2.681 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(Cc1ccco1)C(C)C ZINC001339607279 1056632594 /nfs/dbraw/zinc/63/25/94/1056632594.db2.gz SZIIZLPCGNCWPV-UHFFFAOYSA-N 1 2 373.501 2.676 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CCc2ccc(F)cc2)CC1 ZINC001359029212 1056665746 /nfs/dbraw/zinc/66/57/46/1056665746.db2.gz RMHJHORRNBUTMB-UHFFFAOYSA-N 1 2 355.461 2.539 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2Cc2ccc(F)c(Cl)c2)CC1 ZINC001359034464 1056667186 /nfs/dbraw/zinc/66/71/86/1056667186.db2.gz ROGFXRDUFCQIGN-UHFFFAOYSA-N 1 2 373.863 2.752 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2CC[C@@H]2CCCCO2)CC1 ZINC001359034826 1056667180 /nfs/dbraw/zinc/66/71/80/1056667180.db2.gz DIYNHTWZMJKKIF-IBGZPJMESA-N 1 2 371.529 2.650 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)c3cc(C#N)ccc3F)C2)cc1 ZINC001544669788 1071675707 /nfs/dbraw/zinc/67/57/07/1071675707.db2.gz TZDMCDACAKUMFJ-GOSISDBHSA-N 1 2 367.424 2.637 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)c3cc(C#N)ccc3F)C2)cc1 ZINC001544669788 1071675712 /nfs/dbraw/zinc/67/57/12/1071675712.db2.gz TZDMCDACAKUMFJ-GOSISDBHSA-N 1 2 367.424 2.637 20 30 FFEDLO C[N@H+](CC(=O)O[C@@H]1CCCN(c2cc(C#N)ccn2)C1)Cc1ccccc1 ZINC001518251988 1058316991 /nfs/dbraw/zinc/31/69/91/1058316991.db2.gz MIDWRUKLVMUIPF-LJQANCHMSA-N 1 2 364.449 2.597 20 30 FFEDLO C[N@@H+](CC(=O)O[C@@H]1CCCN(c2cc(C#N)ccn2)C1)Cc1ccccc1 ZINC001518251988 1058317007 /nfs/dbraw/zinc/31/70/07/1058317007.db2.gz MIDWRUKLVMUIPF-LJQANCHMSA-N 1 2 364.449 2.597 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001513907245 1058661075 /nfs/dbraw/zinc/66/10/75/1058661075.db2.gz HGEUFZXIKCOZPZ-QXAKKESOSA-N 1 2 370.497 2.662 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC1CC1 ZINC001519670705 1058939283 /nfs/dbraw/zinc/93/92/83/1058939283.db2.gz XDAQPIMMRGYDNX-QYZOEREBSA-N 1 2 369.513 2.606 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC1CC1 ZINC001519670705 1058939302 /nfs/dbraw/zinc/93/93/02/1058939302.db2.gz XDAQPIMMRGYDNX-QYZOEREBSA-N 1 2 369.513 2.606 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001450836935 1059057802 /nfs/dbraw/zinc/05/78/02/1059057802.db2.gz ZJRMBJFJARWVHB-IRXDYDNUSA-N 1 2 365.518 2.742 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC([C@H]2CCOC2)CC1 ZINC001520305668 1059588800 /nfs/dbraw/zinc/58/88/00/1059588800.db2.gz QJWMQZWIXNLMBO-ZWKOTPCHSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC([C@H]2CCOC2)CC1 ZINC001520305668 1059588816 /nfs/dbraw/zinc/58/88/16/1059588816.db2.gz QJWMQZWIXNLMBO-ZWKOTPCHSA-N 1 2 359.518 2.874 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(C)CC2)CC1 ZINC001507722710 1059703223 /nfs/dbraw/zinc/70/32/23/1059703223.db2.gz GAWZIWYICFMRTA-UHFFFAOYSA-N 1 2 374.492 2.762 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2C[C@@H](C)Sc2ccccc2)CC1 ZINC001507729057 1059703334 /nfs/dbraw/zinc/70/33/34/1059703334.db2.gz DDUFSXKFIADRNH-QGZVFWFLSA-N 1 2 369.538 2.777 20 30 FFEDLO COC(=O)c1sc2ncc(C(C)=NNCCCn3cc[nH+]c3)cc2c1C ZINC000848419615 1059979826 /nfs/dbraw/zinc/97/98/26/1059979826.db2.gz YLDNGRNSVURWRE-UHFFFAOYSA-N 1 2 371.466 2.992 20 30 FFEDLO C#CC1CCN(c2nnc(C[NH+]3CCCCC3)n2CCCOCC)CC1 ZINC001516337433 1060046859 /nfs/dbraw/zinc/04/68/59/1060046859.db2.gz KGVZKZRCLXZWPU-UHFFFAOYSA-N 1 2 359.518 2.540 20 30 FFEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848475011 1060092419 /nfs/dbraw/zinc/09/24/19/1060092419.db2.gz IGQCYNQYPOXQCJ-LJQANCHMSA-N 1 2 364.405 2.872 20 30 FFEDLO C[N@H+](Cc1cccc(C#N)c1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848475011 1060092439 /nfs/dbraw/zinc/09/24/39/1060092439.db2.gz IGQCYNQYPOXQCJ-LJQANCHMSA-N 1 2 364.405 2.872 20 30 FFEDLO CCn1c(N2CCc3cc[nH+]c(N(C)C)c3C2)nnc1C(C)(C)CC#N ZINC001520932437 1060218582 /nfs/dbraw/zinc/21/85/82/1060218582.db2.gz NAEPPMYJTXCOJY-UHFFFAOYSA-N 1 2 353.474 2.513 20 30 FFEDLO Cc1cc(NCCNC(=O)Cc2c(F)cccc2C#N)nc(C(C)C)[nH+]1 ZINC000600365409 1060315221 /nfs/dbraw/zinc/31/52/21/1060315221.db2.gz JQMKZGPOYXOECG-UHFFFAOYSA-N 1 2 355.417 2.690 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc(C[NH+]2CCC(CO)CC2)n1CC1CC1 ZINC001521107218 1060395126 /nfs/dbraw/zinc/39/51/26/1060395126.db2.gz NWZTYTLMVZRLRR-LJQANCHMSA-N 1 2 373.545 2.827 20 30 FFEDLO C[C@H]1CN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)C[C@@H]1C ZINC001521170350 1060446003 /nfs/dbraw/zinc/44/60/03/1060446003.db2.gz CLXVJZUQLQLKHD-HOTGVXAUSA-N 1 2 356.518 2.873 20 30 FFEDLO C[C@@H]1CN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)C[C@H]1C ZINC001521170351 1060446045 /nfs/dbraw/zinc/44/60/45/1060446045.db2.gz CLXVJZUQLQLKHD-HZPDHXFCSA-N 1 2 356.518 2.873 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC001355941428 1060745073 /nfs/dbraw/zinc/74/50/73/1060745073.db2.gz GLRFPEVWZDULPZ-KBXCAEBGSA-N 1 2 369.460 2.699 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCc3cc(F)cc(C)c3C2)c1 ZINC001460013980 1060873337 /nfs/dbraw/zinc/87/33/37/1060873337.db2.gz ZYDCLEBQRSYQBC-UHFFFAOYSA-N 1 2 365.408 2.822 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCc3cc(F)cc(C)c3C2)c1 ZINC001460013980 1060873346 /nfs/dbraw/zinc/87/33/46/1060873346.db2.gz ZYDCLEBQRSYQBC-UHFFFAOYSA-N 1 2 365.408 2.822 20 30 FFEDLO COc1ccc2nc(C[NH+]3CCC(Nc4ccccc4C#N)CC3)[nH]c2n1 ZINC001460539981 1061013302 /nfs/dbraw/zinc/01/33/02/1061013302.db2.gz FXXWIYYEXPVPEG-UHFFFAOYSA-N 1 2 362.437 2.915 20 30 FFEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3ncccn3)sc2C1 ZINC001460684557 1061058475 /nfs/dbraw/zinc/05/84/75/1061058475.db2.gz ASKXMVQXIYWJGG-CYBMUJFWSA-N 1 2 369.494 2.995 20 30 FFEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3ncccn3)sc2C1 ZINC001460684557 1061058490 /nfs/dbraw/zinc/05/84/90/1061058490.db2.gz ASKXMVQXIYWJGG-CYBMUJFWSA-N 1 2 369.494 2.995 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1OC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC001526980217 1061346105 /nfs/dbraw/zinc/34/61/05/1061346105.db2.gz WZILCONPFZWFGR-UHFFFAOYSA-N 1 2 373.363 2.956 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001522004002 1061427836 /nfs/dbraw/zinc/42/78/36/1061427836.db2.gz HFLDGLNZSMFYDT-QBPKDAKJSA-N 1 2 372.513 2.716 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001522004002 1061427849 /nfs/dbraw/zinc/42/78/49/1061427849.db2.gz HFLDGLNZSMFYDT-QBPKDAKJSA-N 1 2 372.513 2.716 20 30 FFEDLO C=C(C)Cn1c(Nc2ccc(OC)cc2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001523776401 1062617071 /nfs/dbraw/zinc/61/70/71/1062617071.db2.gz AMGNSENTHRMICJ-HNAYVOBHSA-N 1 2 357.458 2.518 20 30 FFEDLO C=C(C)Cn1c(Nc2ccc(OC)cc2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001523776401 1062617077 /nfs/dbraw/zinc/61/70/77/1062617077.db2.gz AMGNSENTHRMICJ-HNAYVOBHSA-N 1 2 357.458 2.518 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CC(C)(C)O)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001479634355 1062665886 /nfs/dbraw/zinc/66/58/86/1062665886.db2.gz UKJDAZHFRVAPDV-ZWKOTPCHSA-N 1 2 362.901 2.822 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CC(C)(C)O)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001479634355 1062665897 /nfs/dbraw/zinc/66/58/97/1062665897.db2.gz UKJDAZHFRVAPDV-ZWKOTPCHSA-N 1 2 362.901 2.822 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(F)CC1 ZINC001524357848 1062812363 /nfs/dbraw/zinc/81/23/63/1062812363.db2.gz CXLKEBRVQUYIJI-SJORKVTESA-N 1 2 363.481 2.718 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(F)CC1 ZINC001524357848 1062812386 /nfs/dbraw/zinc/81/23/86/1062812386.db2.gz CXLKEBRVQUYIJI-SJORKVTESA-N 1 2 363.481 2.718 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC(F)CC1 ZINC001524357846 1062812560 /nfs/dbraw/zinc/81/25/60/1062812560.db2.gz CXLKEBRVQUYIJI-IRXDYDNUSA-N 1 2 363.481 2.718 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC(F)CC1 ZINC001524357846 1062812572 /nfs/dbraw/zinc/81/25/72/1062812572.db2.gz CXLKEBRVQUYIJI-IRXDYDNUSA-N 1 2 363.481 2.718 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(CCC#N)CC1CC1 ZINC001524367909 1062814146 /nfs/dbraw/zinc/81/41/46/1062814146.db2.gz GRNSZCRWQLZAGV-GOSISDBHSA-N 1 2 372.517 2.766 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CCC#N)CC1CC1 ZINC001524367909 1062814173 /nfs/dbraw/zinc/81/41/73/1062814173.db2.gz GRNSZCRWQLZAGV-GOSISDBHSA-N 1 2 372.517 2.766 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(F)(F)CC1 ZINC001524368001 1062815783 /nfs/dbraw/zinc/81/57/83/1062815783.db2.gz IVYLTWJKHPRYNS-HNNXBMFYSA-N 1 2 369.460 2.871 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(F)(F)CC1 ZINC001524368001 1062815800 /nfs/dbraw/zinc/81/58/00/1062815800.db2.gz IVYLTWJKHPRYNS-HNNXBMFYSA-N 1 2 369.460 2.871 20 30 FFEDLO COc1ccccc1-c1cnc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)C#N)[C@H]2C)o1 ZINC001479701566 1062830020 /nfs/dbraw/zinc/83/00/20/1062830020.db2.gz JMINOTVATXBENG-FMKPAKJESA-N 1 2 368.437 2.589 20 30 FFEDLO COc1ccccc1-c1cnc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)C#N)[C@H]2C)o1 ZINC001479701566 1062830038 /nfs/dbraw/zinc/83/00/38/1062830038.db2.gz JMINOTVATXBENG-FMKPAKJESA-N 1 2 368.437 2.589 20 30 FFEDLO C=C(C)CS(=O)(=O)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001464849084 1062867925 /nfs/dbraw/zinc/86/79/25/1062867925.db2.gz NTHFJOACCXZXMH-UHFFFAOYSA-N 1 2 353.875 2.623 20 30 FFEDLO N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3Cc4c[nH+]cn4C3)cn2)c1 ZINC001465223496 1063017748 /nfs/dbraw/zinc/01/77/48/1063017748.db2.gz UVVBKGSCLAXWFK-HNNXBMFYSA-N 1 2 360.377 2.688 20 30 FFEDLO C[C@@H]1CCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@@H]1CCCO1 ZINC001525129486 1063163256 /nfs/dbraw/zinc/16/32/56/1063163256.db2.gz XDRQXMWPZOBYBL-AEFFLSMTSA-N 1 2 372.517 2.539 20 30 FFEDLO O=C(/C=C\c1ccc(F)cc1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001440559676 1063314118 /nfs/dbraw/zinc/31/41/18/1063314118.db2.gz JPUKYNLZYKGVDR-TWGQIWQCSA-N 1 2 374.456 2.559 20 30 FFEDLO C#Cc1cccc(CNC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC001469005288 1064073985 /nfs/dbraw/zinc/07/39/85/1064073985.db2.gz UZEKTHVLOSIWSM-QGZVFWFLSA-N 1 2 365.452 2.634 20 30 FFEDLO C=C[C@@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2c[nH]nn2)C1)c1ccccc1 ZINC001575073103 1078103111 /nfs/dbraw/zinc/10/31/11/1078103111.db2.gz JTGYBOBFFWNDPY-XYJFISCASA-N 1 2 353.470 2.539 20 30 FFEDLO C=C[C@@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cn[nH]n2)C1)c1ccccc1 ZINC001575073103 1078103117 /nfs/dbraw/zinc/10/31/17/1078103117.db2.gz JTGYBOBFFWNDPY-XYJFISCASA-N 1 2 353.470 2.539 20 30 FFEDLO C=CCCC[N@@H+](CC)CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC001473862307 1065393483 /nfs/dbraw/zinc/39/34/83/1065393483.db2.gz YTSFVGAJAKFTEY-UHFFFAOYSA-N 1 2 360.426 2.910 20 30 FFEDLO C=CCCC[N@H+](CC)CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC001473862307 1065393493 /nfs/dbraw/zinc/39/34/93/1065393493.db2.gz YTSFVGAJAKFTEY-UHFFFAOYSA-N 1 2 360.426 2.910 20 30 FFEDLO CCCCCCC[NH+]1CC(N(C)C(=O)c2cncc(-c3cn[nH]n3)c2)C1 ZINC001576394321 1078223898 /nfs/dbraw/zinc/22/38/98/1078223898.db2.gz IWIUNZDSMJRHOY-UHFFFAOYSA-N 1 2 356.474 2.593 20 30 FFEDLO CON=Cc1ccc(C(=O)N2C[C@H](OC)C[C@H]2c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001548973847 1073554000 /nfs/dbraw/zinc/55/40/00/1073554000.db2.gz AQGUMWSBGUYVJY-SJORKVTESA-N 1 2 356.426 2.609 20 30 FFEDLO CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001558353227 1075987318 /nfs/dbraw/zinc/98/73/18/1075987318.db2.gz PNBPVEFUKLVKGY-CVEARBPZSA-N 1 2 374.485 2.997 20 30 FFEDLO C=CCOc1ccc(/C=C\C(=O)N[C@H](CC)C[NH+]2CCOCC2)cc1OC ZINC001558422410 1076001821 /nfs/dbraw/zinc/00/18/21/1076001821.db2.gz CUQXECORQXPXBT-YPLUBFQTSA-N 1 2 374.481 2.500 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001560192462 1076244596 /nfs/dbraw/zinc/24/45/96/1076244596.db2.gz ZYKFVIUWPZUMRI-FQEVSTJZSA-N 1 2 362.445 2.529 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001560192462 1076244601 /nfs/dbraw/zinc/24/46/01/1076244601.db2.gz ZYKFVIUWPZUMRI-FQEVSTJZSA-N 1 2 362.445 2.529 20 30 FFEDLO CC(C)C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC001561957617 1076453473 /nfs/dbraw/zinc/45/34/73/1076453473.db2.gz JHYOUOXMMWQTAV-QGZVFWFLSA-N 1 2 363.527 2.839 20 30 FFEDLO CC(C)C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC001561957617 1076453475 /nfs/dbraw/zinc/45/34/75/1076453475.db2.gz JHYOUOXMMWQTAV-QGZVFWFLSA-N 1 2 363.527 2.839 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C#N)CC[N@@H+]1Cc1nnc(-c2ccc(C)cc2)o1 ZINC001566009400 1076843669 /nfs/dbraw/zinc/84/36/69/1076843669.db2.gz KBSUJYLVGULMEJ-BHYGNILZSA-N 1 2 367.453 2.674 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C#N)CC[N@H+]1Cc1nnc(-c2ccc(C)cc2)o1 ZINC001566009400 1076843672 /nfs/dbraw/zinc/84/36/72/1076843672.db2.gz KBSUJYLVGULMEJ-BHYGNILZSA-N 1 2 367.453 2.674 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H](C)C#N)CC[N@@H+]1Cc1nnc(-c2ccccc2)s1 ZINC001566009740 1076843981 /nfs/dbraw/zinc/84/39/81/1076843981.db2.gz SBVAYOCQSAHPPJ-VNQPRFMTSA-N 1 2 369.494 2.834 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H](C)C#N)CC[N@H+]1Cc1nnc(-c2ccccc2)s1 ZINC001566009740 1076843984 /nfs/dbraw/zinc/84/39/84/1076843984.db2.gz SBVAYOCQSAHPPJ-VNQPRFMTSA-N 1 2 369.494 2.834 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2cscc2Br)[C@@H]1C ZINC001566082738 1076889686 /nfs/dbraw/zinc/88/96/86/1076889686.db2.gz MPLKORYIQGFBQY-CWSCBRNRSA-N 1 2 356.289 2.749 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2cscc2Br)[C@@H]1C ZINC001566082738 1076889689 /nfs/dbraw/zinc/88/96/89/1076889689.db2.gz MPLKORYIQGFBQY-CWSCBRNRSA-N 1 2 356.289 2.749 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2)[C@@H]1C ZINC001566087702 1076892338 /nfs/dbraw/zinc/89/23/38/1076892338.db2.gz KVAYOZNTTJRVTQ-PBHICJAKSA-N 1 2 361.873 2.661 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2)[C@@H]1C ZINC001566087702 1076892340 /nfs/dbraw/zinc/89/23/40/1076892340.db2.gz KVAYOZNTTJRVTQ-PBHICJAKSA-N 1 2 361.873 2.661 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)COc2ccc(F)cc2)[C@H]1C ZINC001566112947 1076916504 /nfs/dbraw/zinc/91/65/04/1076916504.db2.gz JOUVJYLLBBEUCC-DOMZBBRYSA-N 1 2 371.250 2.692 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)COc2ccc(F)cc2)[C@H]1C ZINC001566112947 1076916508 /nfs/dbraw/zinc/91/65/08/1076916508.db2.gz JOUVJYLLBBEUCC-DOMZBBRYSA-N 1 2 371.250 2.692 20 30 FFEDLO C[C@@H]1CC(NC(=O)[C@@H](c2cccc(Br)c2)[NH+]2CCCC2)=NO1 ZINC001567210322 1077005448 /nfs/dbraw/zinc/00/54/48/1077005448.db2.gz HVYGADVJCKHVHU-IAQYHMDHSA-N 1 2 366.259 2.825 20 30 FFEDLO N#Cc1ccc2[nH]c(NC(=O)c3ccc(NCCn4cc[nH+]c4)cc3)nc2c1 ZINC001586346208 1079606431 /nfs/dbraw/zinc/60/64/31/1079606431.db2.gz OECZUEQLUXSEMG-UHFFFAOYSA-N 1 2 371.404 2.995 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001588281695 1079963029 /nfs/dbraw/zinc/96/30/29/1079963029.db2.gz QUIGUZLDENUVHG-XBXARRHUSA-N 1 2 369.396 2.587 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CC2(CC)CCC2)CC1 ZINC001588811318 1080205620 /nfs/dbraw/zinc/20/56/20/1080205620.db2.gz GHVXTCRYYZFUPT-GOSISDBHSA-N 1 2 371.529 2.855 20 30 FFEDLO Cc1ccccc1N1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000028746741 249347448 /nfs/dbraw/zinc/34/74/48/249347448.db2.gz ZCYTVJAKMXKGMO-OAQYLSRUSA-N 1 2 360.461 2.794 20 30 FFEDLO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857157 249353343 /nfs/dbraw/zinc/35/33/43/249353343.db2.gz NBPKYEGNPWQZHV-HNNXBMFYSA-N 1 2 358.461 2.657 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(N2CCCC2=O)CC1 ZINC000104728951 250184302 /nfs/dbraw/zinc/18/43/02/250184302.db2.gz RXIRYTFVVWRGKM-ZDUSSCGKSA-N 1 2 374.872 2.625 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(O)cc3F)CC2)cc1 ZINC000181074748 251238548 /nfs/dbraw/zinc/23/85/48/251238548.db2.gz CVEUEPRQUWUAPM-UHFFFAOYSA-N 1 2 353.397 2.751 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(O)cc3F)CC2)cc1 ZINC000181074748 251238552 /nfs/dbraw/zinc/23/85/52/251238552.db2.gz CVEUEPRQUWUAPM-UHFFFAOYSA-N 1 2 353.397 2.751 20 30 FFEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(C#N)cc3F)CC2)n1 ZINC000267400826 251345315 /nfs/dbraw/zinc/34/53/15/251345315.db2.gz PKQJSWCSIFMRAK-CYBMUJFWSA-N 1 2 359.405 2.500 20 30 FFEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3ccc(C#N)cc3F)CC2)n1 ZINC000267400826 251345320 /nfs/dbraw/zinc/34/53/20/251345320.db2.gz PKQJSWCSIFMRAK-CYBMUJFWSA-N 1 2 359.405 2.500 20 30 FFEDLO Cc1ccnc(NCc2ccccc2OCC[NH+]2CCOCC2)c1C#N ZINC000273357059 252288815 /nfs/dbraw/zinc/28/88/15/252288815.db2.gz QDEOPCBTOBOBMK-UHFFFAOYSA-N 1 2 352.438 2.585 20 30 FFEDLO N#Cc1ccc(Cl)c(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000287271206 257080535 /nfs/dbraw/zinc/08/05/35/257080535.db2.gz CLXDQFDQZODHNZ-UHFFFAOYSA-N 1 2 355.825 2.875 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287332649 257083700 /nfs/dbraw/zinc/08/37/00/257083700.db2.gz KOUUWBMJYFJZFE-CQSZACIVSA-N 1 2 362.271 2.765 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287332649 257083701 /nfs/dbraw/zinc/08/37/01/257083701.db2.gz KOUUWBMJYFJZFE-CQSZACIVSA-N 1 2 362.271 2.765 20 30 FFEDLO CN(C)C(=O)C1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000287513117 257093273 /nfs/dbraw/zinc/09/32/73/257093273.db2.gz YOIRDUHCLWOEPU-UHFFFAOYSA-N 1 2 350.260 2.621 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000288840833 257231804 /nfs/dbraw/zinc/23/18/04/257231804.db2.gz OPPMDDJOCOAPJP-IBGZPJMESA-N 1 2 373.453 2.624 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000288840833 257231805 /nfs/dbraw/zinc/23/18/05/257231805.db2.gz OPPMDDJOCOAPJP-IBGZPJMESA-N 1 2 373.453 2.624 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)C1=O ZINC000289744617 257296660 /nfs/dbraw/zinc/29/66/60/257296660.db2.gz FAZBWLSQQWUGAH-UONOGXRCSA-N 1 2 361.858 2.522 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@H](n3cc(Cl)cn3)C2)C1=O ZINC000289744617 257296661 /nfs/dbraw/zinc/29/66/61/257296661.db2.gz FAZBWLSQQWUGAH-UONOGXRCSA-N 1 2 361.858 2.522 20 30 FFEDLO C[C@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCC1(F)F ZINC000289777803 257298622 /nfs/dbraw/zinc/29/86/22/257298622.db2.gz LQDOFXPEAJSWOY-ZDUSSCGKSA-N 1 2 359.380 2.660 20 30 FFEDLO C[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCC1(F)F ZINC000289777803 257298623 /nfs/dbraw/zinc/29/86/23/257298623.db2.gz LQDOFXPEAJSWOY-ZDUSSCGKSA-N 1 2 359.380 2.660 20 30 FFEDLO C[C@]1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCOC1=O ZINC000289604615 257289746 /nfs/dbraw/zinc/28/97/46/257289746.db2.gz QMIUIXXNSKXLGX-SFHVURJKSA-N 1 2 361.467 2.512 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nc(-c4ccc(F)cc4)no3)C2)nc1 ZINC000292047733 257453660 /nfs/dbraw/zinc/45/36/60/257453660.db2.gz AYZUHXKGPMCOTJ-MRXNPFEDSA-N 1 2 365.368 2.796 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nc(-c4ccc(F)cc4)no3)C2)nc1 ZINC000292047733 257453661 /nfs/dbraw/zinc/45/36/61/257453661.db2.gz AYZUHXKGPMCOTJ-MRXNPFEDSA-N 1 2 365.368 2.796 20 30 FFEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccc(C#N)c(Cl)c3)CC2)C1 ZINC000301161934 258030899 /nfs/dbraw/zinc/03/08/99/258030899.db2.gz PQBKHIZFLCSQRE-IYBDPMFKSA-N 1 2 374.916 2.838 20 30 FFEDLO Cn1nc(Br)c2c1nc[nH+]c2NCc1ccc(C#N)cc1F ZINC000301194758 258033339 /nfs/dbraw/zinc/03/33/39/258033339.db2.gz YHLVIFYEURQAQD-UHFFFAOYSA-N 1 2 361.178 2.749 20 30 FFEDLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2nccnc2C#N)CC1 ZINC000301419062 258048492 /nfs/dbraw/zinc/04/84/92/258048492.db2.gz BNKVREYJHNQSCT-ZDUSSCGKSA-N 1 2 372.270 2.994 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccnn3C3CCCC3)CC2)cc1 ZINC000330058109 258154092 /nfs/dbraw/zinc/15/40/92/258154092.db2.gz YMPNYHGMAMQLGB-UHFFFAOYSA-N 1 2 363.465 2.828 20 30 FFEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000331439564 258186237 /nfs/dbraw/zinc/18/62/37/258186237.db2.gz VGFMWQYVSURQHH-HNNXBMFYSA-N 1 2 372.469 2.525 20 30 FFEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000331439564 258186238 /nfs/dbraw/zinc/18/62/38/258186238.db2.gz VGFMWQYVSURQHH-HNNXBMFYSA-N 1 2 372.469 2.525 20 30 FFEDLO Cc1nsc(N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)c1C#N ZINC000329359130 258136181 /nfs/dbraw/zinc/13/61/81/258136181.db2.gz GJCTWALPICKCCU-UHFFFAOYSA-N 1 2 372.885 2.947 20 30 FFEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(C#N)cc3OC(F)F)[C@H]2C1 ZINC000332249646 258221305 /nfs/dbraw/zinc/22/13/05/258221305.db2.gz XMDUDAIWSGQUFN-OWCLPIDISA-N 1 2 352.381 2.928 20 30 FFEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(C#N)cc3OC(F)F)[C@H]2C1 ZINC000332249646 258221306 /nfs/dbraw/zinc/22/13/06/258221306.db2.gz XMDUDAIWSGQUFN-OWCLPIDISA-N 1 2 352.381 2.928 20 30 FFEDLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000115674899 132247581 /nfs/dbraw/zinc/24/75/81/132247581.db2.gz WHFGIHLHESXUNA-OAHLLOKOSA-N 1 2 367.428 2.550 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)CCC2 ZINC000370954924 512151439 /nfs/dbraw/zinc/15/14/39/512151439.db2.gz WPGZWJLAMSJHCR-GFCCVEGCSA-N 1 2 364.858 2.573 20 30 FFEDLO C=CCOc1ccccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000032275923 506238777 /nfs/dbraw/zinc/23/87/77/506238777.db2.gz OBFFPWLDZZIKGB-LJQANCHMSA-N 1 2 366.461 2.882 20 30 FFEDLO C=CCOc1ccccc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000032275923 506238786 /nfs/dbraw/zinc/23/87/86/506238786.db2.gz OBFFPWLDZZIKGB-LJQANCHMSA-N 1 2 366.461 2.882 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000369181540 512271183 /nfs/dbraw/zinc/27/11/83/512271183.db2.gz ZZWRWTAWVWNFBI-INIZCTEOSA-N 1 2 374.872 2.627 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000369181540 512271187 /nfs/dbraw/zinc/27/11/87/512271187.db2.gz ZZWRWTAWVWNFBI-INIZCTEOSA-N 1 2 374.872 2.627 20 30 FFEDLO Cc1noc(C2CC[NH+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CC2)n1 ZINC000053640342 506420707 /nfs/dbraw/zinc/42/07/07/506420707.db2.gz HETHIYHYPBISBV-LLVKDONJSA-N 1 2 357.414 2.666 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)cc1 ZINC000039537527 506452251 /nfs/dbraw/zinc/45/22/51/506452251.db2.gz GQKZWFCXZGGHJA-UHFFFAOYSA-N 1 2 362.389 2.764 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000007267163 506548365 /nfs/dbraw/zinc/54/83/65/506548365.db2.gz HZIXWCNKUTZXJW-GOEBONIOSA-N 1 2 351.406 2.657 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000007267163 506548369 /nfs/dbraw/zinc/54/83/69/506548369.db2.gz HZIXWCNKUTZXJW-GOEBONIOSA-N 1 2 351.406 2.657 20 30 FFEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000054886545 506642177 /nfs/dbraw/zinc/64/21/77/506642177.db2.gz UAOZVYLOZHAOAJ-INIZCTEOSA-N 1 2 370.522 2.618 20 30 FFEDLO N#Cc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000067659344 506965903 /nfs/dbraw/zinc/96/59/03/506965903.db2.gz XLQGSYUFQBWEMV-LJQANCHMSA-N 1 2 351.475 2.965 20 30 FFEDLO C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000046037131 507066225 /nfs/dbraw/zinc/06/62/25/507066225.db2.gz ICKZTTLFIWLXBT-MRXNPFEDSA-N 1 2 372.488 2.999 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)Cn1c2ccccc2[nH+]c1NCCO ZINC000046342305 507119278 /nfs/dbraw/zinc/11/92/78/507119278.db2.gz XKKOTKCYEHILFK-KRWDZBQOSA-N 1 2 367.449 2.609 20 30 FFEDLO C[C@H](NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000023257768 507343533 /nfs/dbraw/zinc/34/35/33/507343533.db2.gz SPNXOTNOGMPGNP-INIZCTEOSA-N 1 2 368.506 2.615 20 30 FFEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514555 507349255 /nfs/dbraw/zinc/34/92/55/507349255.db2.gz IQJMHEDXSJPHOA-UHFFFAOYSA-N 1 2 361.405 2.620 20 30 FFEDLO N#Cc1ccc(CSCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000047740425 507385725 /nfs/dbraw/zinc/38/57/25/507385725.db2.gz YCADGEOWZRYCNT-UHFFFAOYSA-N 1 2 352.463 2.535 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000025940772 507546431 /nfs/dbraw/zinc/54/64/31/507546431.db2.gz NYMXUEYUJWGLFO-UHFFFAOYSA-N 1 2 364.493 2.861 20 30 FFEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000060467699 507547833 /nfs/dbraw/zinc/54/78/33/507547833.db2.gz HDRQIADDBMPBIV-UHFFFAOYSA-N 1 2 356.470 2.597 20 30 FFEDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000060480869 507551019 /nfs/dbraw/zinc/55/10/19/507551019.db2.gz BNQVXWJKWJNQQY-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000027287367 507644615 /nfs/dbraw/zinc/64/46/15/507644615.db2.gz APJKNEBYEAQSEY-UHFFFAOYSA-N 1 2 362.433 2.521 20 30 FFEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000027287367 507644618 /nfs/dbraw/zinc/64/46/18/507644618.db2.gz APJKNEBYEAQSEY-UHFFFAOYSA-N 1 2 362.433 2.521 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000027335272 507647650 /nfs/dbraw/zinc/64/76/50/507647650.db2.gz XPTANHVUULFBSO-UHFFFAOYSA-N 1 2 372.494 2.878 20 30 FFEDLO C=CC[N@@H+](CC(=O)NCC(=O)Nc1ccccc1CC)Cc1ccccc1 ZINC000027776636 507684179 /nfs/dbraw/zinc/68/41/79/507684179.db2.gz HTJAVVXDVDVZDG-UHFFFAOYSA-N 1 2 365.477 2.992 20 30 FFEDLO C=CC[N@H+](CC(=O)NCC(=O)Nc1ccccc1CC)Cc1ccccc1 ZINC000027776636 507684188 /nfs/dbraw/zinc/68/41/88/507684188.db2.gz HTJAVVXDVDVZDG-UHFFFAOYSA-N 1 2 365.477 2.992 20 30 FFEDLO Cc1[nH+]c2ccc(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cc2n1C ZINC000373486878 512355802 /nfs/dbraw/zinc/35/58/02/512355802.db2.gz ASICRRZPSQPKGE-UHFFFAOYSA-N 1 2 374.448 2.547 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H](O)COCc3ccccc3F)CCO2)c1 ZINC000367138186 512356054 /nfs/dbraw/zinc/35/60/54/512356054.db2.gz GHZJSWXCYVSYRI-TZIWHRDSSA-N 1 2 370.424 2.648 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H](O)COCc3ccccc3F)CCO2)c1 ZINC000367138186 512356060 /nfs/dbraw/zinc/35/60/60/512356060.db2.gz GHZJSWXCYVSYRI-TZIWHRDSSA-N 1 2 370.424 2.648 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)Cc1cccc(C#N)c1 ZINC000063299972 507714386 /nfs/dbraw/zinc/71/43/86/507714386.db2.gz FWWLUNMLDJFCQM-WOJBJXKFSA-N 1 2 353.466 2.716 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)Cc1cccc(C#N)c1 ZINC000063299972 507714391 /nfs/dbraw/zinc/71/43/91/507714391.db2.gz FWWLUNMLDJFCQM-WOJBJXKFSA-N 1 2 353.466 2.716 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000051052632 507727491 /nfs/dbraw/zinc/72/74/91/507727491.db2.gz LIZPJWFWJVWOBC-BBRMVZONSA-N 1 2 374.485 2.723 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000051052632 507727495 /nfs/dbraw/zinc/72/74/95/507727495.db2.gz LIZPJWFWJVWOBC-BBRMVZONSA-N 1 2 374.485 2.723 20 30 FFEDLO COCC[N@H+](CC(=O)NCc1ccc(C)c(F)c1)Cc1ccc(C#N)cc1 ZINC000063754038 507768481 /nfs/dbraw/zinc/76/84/81/507768481.db2.gz BITIHKSJTZIRCW-UHFFFAOYSA-N 1 2 369.440 2.771 20 30 FFEDLO COCC[N@@H+](CC(=O)NCc1ccc(C)c(F)c1)Cc1ccc(C#N)cc1 ZINC000063754038 507768483 /nfs/dbraw/zinc/76/84/83/507768483.db2.gz BITIHKSJTZIRCW-UHFFFAOYSA-N 1 2 369.440 2.771 20 30 FFEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(C)c1 ZINC000029447553 507778443 /nfs/dbraw/zinc/77/84/43/507778443.db2.gz ASOGFYQJXMQLKP-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000051621474 507778820 /nfs/dbraw/zinc/77/88/20/507778820.db2.gz NFBRRXCNAGNYGE-NQIIRXRSSA-N 1 2 368.525 2.713 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000051621474 507778821 /nfs/dbraw/zinc/77/88/21/507778821.db2.gz NFBRRXCNAGNYGE-NQIIRXRSSA-N 1 2 368.525 2.713 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000029553373 507782390 /nfs/dbraw/zinc/78/23/90/507782390.db2.gz IZEQTBLYCRMPCM-HNNXBMFYSA-N 1 2 350.422 2.637 20 30 FFEDLO CC[N@@H+](CC(=O)N(C)Cc1cc(Br)cs1)C[C@H](C)C#N ZINC000064249148 507787685 /nfs/dbraw/zinc/78/76/85/507787685.db2.gz PBTHIYWSLJIATN-LLVKDONJSA-N 1 2 358.305 2.951 20 30 FFEDLO CC[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)C[C@H](C)C#N ZINC000064249148 507787686 /nfs/dbraw/zinc/78/76/86/507787686.db2.gz PBTHIYWSLJIATN-LLVKDONJSA-N 1 2 358.305 2.951 20 30 FFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000078615619 507889629 /nfs/dbraw/zinc/88/96/29/507889629.db2.gz HFISMFYQEAIBQZ-BQIYRTECSA-N 1 2 370.497 2.876 20 30 FFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000078615619 507889632 /nfs/dbraw/zinc/88/96/32/507889632.db2.gz HFISMFYQEAIBQZ-BQIYRTECSA-N 1 2 370.497 2.876 20 30 FFEDLO COc1cc(C[N@H+](CC(=O)Nc2sccc2C#N)C2CC2)ccc1O ZINC000089971438 507894793 /nfs/dbraw/zinc/89/47/93/507894793.db2.gz VIGLGVUXYFBMJI-UHFFFAOYSA-N 1 2 357.435 2.937 20 30 FFEDLO COc1cc(C[N@@H+](CC(=O)Nc2sccc2C#N)C2CC2)ccc1O ZINC000089971438 507894795 /nfs/dbraw/zinc/89/47/95/507894795.db2.gz VIGLGVUXYFBMJI-UHFFFAOYSA-N 1 2 357.435 2.937 20 30 FFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551329 507926699 /nfs/dbraw/zinc/92/66/99/507926699.db2.gz LTKFDQNTARMBMG-ROUUACIJSA-N 1 2 352.394 2.528 20 30 FFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551329 507926701 /nfs/dbraw/zinc/92/67/01/507926701.db2.gz LTKFDQNTARMBMG-ROUUACIJSA-N 1 2 352.394 2.528 20 30 FFEDLO Cn1cc(C#N)c(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)n1 ZINC000091203859 507967534 /nfs/dbraw/zinc/96/75/34/507967534.db2.gz RNFZATHMKAMWHF-UHFFFAOYSA-N 1 2 359.433 2.933 20 30 FFEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000091589369 507993818 /nfs/dbraw/zinc/99/38/18/507993818.db2.gz QOVIIRRAFHMJKO-RTBURBONSA-N 1 2 374.916 2.779 20 30 FFEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000091589369 507993821 /nfs/dbraw/zinc/99/38/21/507993821.db2.gz QOVIIRRAFHMJKO-RTBURBONSA-N 1 2 374.916 2.779 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000080186961 508048983 /nfs/dbraw/zinc/04/89/83/508048983.db2.gz NFEYEMPSGGTPGJ-UHFFFAOYSA-N 1 2 372.469 2.721 20 30 FFEDLO Cc1ccc(C(=O)N2CCN(Cc3c[nH+]c4ccc(C#N)cn34)CC2)s1 ZINC000092379687 508065988 /nfs/dbraw/zinc/06/59/88/508065988.db2.gz IEGNIRDWBLVTTN-UHFFFAOYSA-N 1 2 365.462 2.534 20 30 FFEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000080332762 508066500 /nfs/dbraw/zinc/06/65/00/508066500.db2.gz OFXZUOBYGAVIOO-FQEVSTJZSA-N 1 2 366.465 2.853 20 30 FFEDLO C=CC[N@@H+](CCc1ccccc1)Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000092505693 508076892 /nfs/dbraw/zinc/07/68/92/508076892.db2.gz LIHHKIOCOOZAMB-HXUWFJFHSA-N 1 2 373.522 2.648 20 30 FFEDLO C=CC[N@H+](CCc1ccccc1)Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000092505693 508076894 /nfs/dbraw/zinc/07/68/94/508076894.db2.gz LIHHKIOCOOZAMB-HXUWFJFHSA-N 1 2 373.522 2.648 20 30 FFEDLO CC1CCC(NC(=O)C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)CC1 ZINC000080907748 508111066 /nfs/dbraw/zinc/11/10/66/508111066.db2.gz XMMPKUJYWYQCOV-LYBXBRPPSA-N 1 2 354.498 2.564 20 30 FFEDLO N#Cc1csc(C[N@@H+](CCO)Cc2cnn(Cc3ccccc3)c2)c1 ZINC000093359112 508142504 /nfs/dbraw/zinc/14/25/04/508142504.db2.gz BWMSJXLYQYAVEE-UHFFFAOYSA-N 1 2 352.463 2.859 20 30 FFEDLO N#Cc1csc(C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)c1 ZINC000093359112 508142506 /nfs/dbraw/zinc/14/25/06/508142506.db2.gz BWMSJXLYQYAVEE-UHFFFAOYSA-N 1 2 352.463 2.859 20 30 FFEDLO CCOC(=O)CN(CCc1ccccc1)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000093364142 508142842 /nfs/dbraw/zinc/14/28/42/508142842.db2.gz CKMZWPWOLZDTPX-UHFFFAOYSA-N 1 2 362.433 2.814 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+](CC)[C@@H](C)CS(C)(=O)=O)ccc1OC ZINC000093391531 508143395 /nfs/dbraw/zinc/14/33/95/508143395.db2.gz ARRFBNTZXIBKIY-HNNXBMFYSA-N 1 2 355.500 2.905 20 30 FFEDLO C=C(C)COc1cc(C[N@H+](CC)[C@@H](C)CS(C)(=O)=O)ccc1OC ZINC000093391531 508143397 /nfs/dbraw/zinc/14/33/97/508143397.db2.gz ARRFBNTZXIBKIY-HNNXBMFYSA-N 1 2 355.500 2.905 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)n1 ZINC000093663435 508151459 /nfs/dbraw/zinc/15/14/59/508151459.db2.gz JBNGYWFEEKHCHS-UHFFFAOYSA-N 1 2 357.483 2.851 20 30 FFEDLO Cc1cccc(N2CC[NH+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)c1 ZINC000083132514 508237157 /nfs/dbraw/zinc/23/71/57/508237157.db2.gz WZWGWGWVDZJHJZ-GOSISDBHSA-N 1 2 366.490 2.856 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554920 508246400 /nfs/dbraw/zinc/24/64/00/508246400.db2.gz SLMKHBHUISJMBO-MRXNPFEDSA-N 1 2 359.433 2.579 20 30 FFEDLO COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554926 508246543 /nfs/dbraw/zinc/24/65/43/508246543.db2.gz FHFHYKNYGXNNFK-MRXNPFEDSA-N 1 2 364.449 2.716 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cc(C#N)cs3)CC2)cc1 ZINC000084180571 508267987 /nfs/dbraw/zinc/26/79/87/508267987.db2.gz NRVZNQBXUFHIEZ-UHFFFAOYSA-N 1 2 355.463 2.976 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000077385940 508308683 /nfs/dbraw/zinc/30/86/83/508308683.db2.gz VVUVZKXPDPWUAR-UHFFFAOYSA-N 1 2 366.446 2.590 20 30 FFEDLO CCOC(=O)c1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)o1 ZINC000156486400 508428304 /nfs/dbraw/zinc/42/83/04/508428304.db2.gz PFKVRNWXMMKYGZ-SFHVURJKSA-N 1 2 353.422 2.839 20 30 FFEDLO COC(=O)CCn1nc(C)c(C[N@H+](C)Cc2cc(C#N)ccc2F)c1C ZINC000156510677 508431461 /nfs/dbraw/zinc/43/14/61/508431461.db2.gz UDWRWLXIHJILQU-UHFFFAOYSA-N 1 2 358.417 2.706 20 30 FFEDLO COC(=O)CCn1nc(C)c(C[N@@H+](C)Cc2cc(C#N)ccc2F)c1C ZINC000156510677 508431464 /nfs/dbraw/zinc/43/14/64/508431464.db2.gz UDWRWLXIHJILQU-UHFFFAOYSA-N 1 2 358.417 2.706 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000152467934 508452786 /nfs/dbraw/zinc/45/27/86/508452786.db2.gz KVRLKOCVRPCUQF-HOCLYGCPSA-N 1 2 364.453 2.691 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000152467934 508452788 /nfs/dbraw/zinc/45/27/88/508452788.db2.gz KVRLKOCVRPCUQF-HOCLYGCPSA-N 1 2 364.453 2.691 20 30 FFEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000116807583 508564154 /nfs/dbraw/zinc/56/41/54/508564154.db2.gz QWXRPAQRCZTECR-FZKQIMNGSA-N 1 2 353.382 2.983 20 30 FFEDLO Cc1cccn2cc(-c3ccc(NC(=O)C(=O)N[C@H](C)CC#N)cc3)[nH+]c12 ZINC000122804463 508589325 /nfs/dbraw/zinc/58/93/25/508589325.db2.gz QCBFMLPROATCOE-CQSZACIVSA-N 1 2 361.405 2.667 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1C#N ZINC000157644820 508591835 /nfs/dbraw/zinc/59/18/35/508591835.db2.gz SJWBNGZYDZHFMS-CABCVRRESA-N 1 2 360.458 2.576 20 30 FFEDLO COc1cc2c(c(C[NH+]3CCN(c4ncccc4C#N)CC3)c1)O[C@@H](C)C2 ZINC000122904511 508604508 /nfs/dbraw/zinc/60/45/08/508604508.db2.gz UVUQDCVLUVSQGR-HNNXBMFYSA-N 1 2 364.449 2.607 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c2ccccc21 ZINC000135571219 508625586 /nfs/dbraw/zinc/62/55/86/508625586.db2.gz OBSFZCFVDPJRNN-ICSRJNTNSA-N 1 2 369.490 2.944 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@H+]2CCS[C@H]3COCC[C@@H]32)c2ccccc21 ZINC000135571219 508625589 /nfs/dbraw/zinc/62/55/89/508625589.db2.gz OBSFZCFVDPJRNN-ICSRJNTNSA-N 1 2 369.490 2.944 20 30 FFEDLO C[C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)Cn1cc[nH+]c1 ZINC000153754972 508641920 /nfs/dbraw/zinc/64/19/20/508641920.db2.gz UAKOLSPHOTWNSZ-HNNXBMFYSA-N 1 2 364.405 2.993 20 30 FFEDLO FC(F)(F)Oc1ccc(C#CC[NH+]2CCN(c3cccnn3)CC2)cc1 ZINC000158033410 508647684 /nfs/dbraw/zinc/64/76/84/508647684.db2.gz DORUAWHAVZYJMZ-UHFFFAOYSA-N 1 2 362.355 2.549 20 30 FFEDLO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000153852725 508662416 /nfs/dbraw/zinc/66/24/16/508662416.db2.gz WMHWTUHAPPBLAT-PGRDOPGGSA-N 1 2 374.488 2.847 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000118835685 508681832 /nfs/dbraw/zinc/68/18/32/508681832.db2.gz GTIULKQULDVZDH-KRWDZBQOSA-N 1 2 363.465 2.661 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)s1 ZINC000123431542 508685799 /nfs/dbraw/zinc/68/57/99/508685799.db2.gz ZSFXKNLSQINFIN-UHFFFAOYSA-N 1 2 361.492 2.563 20 30 FFEDLO CC(C)n1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000118861244 508687776 /nfs/dbraw/zinc/68/77/76/508687776.db2.gz MRCBNFNWJMPILT-DOTOQJQBSA-N 1 2 366.469 2.937 20 30 FFEDLO CC(C)n1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000118861244 508687779 /nfs/dbraw/zinc/68/77/79/508687779.db2.gz MRCBNFNWJMPILT-DOTOQJQBSA-N 1 2 366.469 2.937 20 30 FFEDLO C=CCc1cc(C[NH+]2CCN(C(=O)c3ccco3)CC2)cc(OC)c1O ZINC000158467168 508708153 /nfs/dbraw/zinc/70/81/53/508708153.db2.gz XJYVEBCKJXUYTA-UHFFFAOYSA-N 1 2 356.422 2.680 20 30 FFEDLO C=CCn1c(C)cc(C(=O)CN(C)CC(C)(C)C[NH+]2CCOCC2)c1C ZINC000123682256 508724487 /nfs/dbraw/zinc/72/44/87/508724487.db2.gz BOUZLZYNVSVAQU-UHFFFAOYSA-N 1 2 361.530 2.764 20 30 FFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000119232857 508754041 /nfs/dbraw/zinc/75/40/41/508754041.db2.gz LREIZGVKNMLVDM-UHFFFAOYSA-N 1 2 365.842 2.958 20 30 FFEDLO Cc1nc(C2([NH2+]CC(=O)N(C)C3(C#N)CCCCC3)CCCCC2)no1 ZINC000138828302 508779625 /nfs/dbraw/zinc/77/96/25/508779625.db2.gz AMKNGXRZLLIZQD-UHFFFAOYSA-N 1 2 359.474 2.812 20 30 FFEDLO N#Cc1ccc(OCC[N@H+]2CCOC[C@@H]2CC(=O)c2ccccc2)cc1 ZINC000119369086 508781799 /nfs/dbraw/zinc/78/17/99/508781799.db2.gz SLEDFSNFMZFVDZ-IBGZPJMESA-N 1 2 350.418 2.911 20 30 FFEDLO N#Cc1ccc(OCC[N@@H+]2CCOC[C@@H]2CC(=O)c2ccccc2)cc1 ZINC000119369086 508781803 /nfs/dbraw/zinc/78/18/03/508781803.db2.gz SLEDFSNFMZFVDZ-IBGZPJMESA-N 1 2 350.418 2.911 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000140952527 508810098 /nfs/dbraw/zinc/81/00/98/508810098.db2.gz CLNHBPFJYMPXEI-XHDPSFHLSA-N 1 2 355.360 2.520 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C)c1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000154785340 508856086 /nfs/dbraw/zinc/85/60/86/508856086.db2.gz ZNDYRZHLUUVHIY-UHFFFAOYSA-N 1 2 367.497 2.537 20 30 FFEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000124675072 508867293 /nfs/dbraw/zinc/86/72/93/508867293.db2.gz BYPZRVPHJJGHBI-UHFFFAOYSA-N 1 2 367.449 2.613 20 30 FFEDLO CC(C)[N@H+](CCc1nccs1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000159801850 508892646 /nfs/dbraw/zinc/89/26/46/508892646.db2.gz UCEMKNGKEOABAY-UHFFFAOYSA-N 1 2 363.508 2.742 20 30 FFEDLO CC(C)[N@@H+](CCc1nccs1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000159801850 508892649 /nfs/dbraw/zinc/89/26/49/508892649.db2.gz UCEMKNGKEOABAY-UHFFFAOYSA-N 1 2 363.508 2.742 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000124888496 508901095 /nfs/dbraw/zinc/90/10/95/508901095.db2.gz QACWPOHDJQZDAH-APWZRJJASA-N 1 2 361.461 2.815 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000124888496 508901099 /nfs/dbraw/zinc/90/10/99/508901099.db2.gz QACWPOHDJQZDAH-APWZRJJASA-N 1 2 361.461 2.815 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cn1 ZINC000131261208 508906370 /nfs/dbraw/zinc/90/63/70/508906370.db2.gz PJMGDFXEHGKXDK-UHFFFAOYSA-N 1 2 359.433 2.832 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)CSCC[NH+]2CCOCC2)c1C ZINC000159948051 508915713 /nfs/dbraw/zinc/91/57/13/508915713.db2.gz KZHVUTWFCPJKOF-UHFFFAOYSA-N 1 2 361.511 2.616 20 30 FFEDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000160056947 508931717 /nfs/dbraw/zinc/93/17/17/508931717.db2.gz PNJGNKCPANIOOQ-GFCCVEGCSA-N 1 2 365.524 2.501 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(F)c1 ZINC000151078665 508951727 /nfs/dbraw/zinc/95/17/27/508951727.db2.gz CLNTZLHNVOHQEF-UHFFFAOYSA-N 1 2 374.441 2.561 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)s1 ZINC000125365663 508972091 /nfs/dbraw/zinc/97/20/91/508972091.db2.gz NSVPXAWLPXCWIW-IBGZPJMESA-N 1 2 366.490 2.543 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000155612759 509038070 /nfs/dbraw/zinc/03/80/70/509038070.db2.gz PSSHZPHYCKYFBM-HNNXBMFYSA-N 1 2 366.421 2.504 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCCC1(C)C ZINC000411002141 512434821 /nfs/dbraw/zinc/43/48/21/512434821.db2.gz IQDFHJZEUNVQIH-MSOLQXFVSA-N 1 2 371.481 2.655 20 30 FFEDLO N#Cc1ccc(Br)c(CN2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000191795525 509184545 /nfs/dbraw/zinc/18/45/45/509184545.db2.gz MYSZRGCJRAWGHO-INIZCTEOSA-N 1 2 364.287 2.617 20 30 FFEDLO COCCOc1ccc(CNC(=O)C[N@H+](CCC#N)CCC(C)C)cc1 ZINC000266773607 509187487 /nfs/dbraw/zinc/18/74/87/509187487.db2.gz XVFPZYOLQAXAAJ-UHFFFAOYSA-N 1 2 361.486 2.590 20 30 FFEDLO COCCOc1ccc(CNC(=O)C[N@@H+](CCC#N)CCC(C)C)cc1 ZINC000266773607 509187495 /nfs/dbraw/zinc/18/74/95/509187495.db2.gz XVFPZYOLQAXAAJ-UHFFFAOYSA-N 1 2 361.486 2.590 20 30 FFEDLO CC(C)(CCC#N)C[NH+]1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000162366725 509208644 /nfs/dbraw/zinc/20/86/44/509208644.db2.gz BKMBFTRQAXAHPU-UHFFFAOYSA-N 1 2 369.918 2.976 20 30 FFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000182498953 509271317 /nfs/dbraw/zinc/27/13/17/509271317.db2.gz XCJKPHGQMDVLGM-OAHLLOKOSA-N 1 2 353.463 2.528 20 30 FFEDLO C=C(C)[C@H](NC(=O)C(=O)Nc1c[nH+]ccc1OC)c1ccc(F)c(F)c1 ZINC000185769230 509346940 /nfs/dbraw/zinc/34/69/40/509346940.db2.gz PMYBNXHHUZDHPZ-INIZCTEOSA-N 1 2 361.348 2.741 20 30 FFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)NCc1cccc(C#N)c1 ZINC000264255943 509415121 /nfs/dbraw/zinc/41/51/21/509415121.db2.gz KXTYLBQPMTXPDB-UHFFFAOYSA-N 1 2 351.332 2.659 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000192254416 509428979 /nfs/dbraw/zinc/42/89/79/509428979.db2.gz DZDAIHUTPDSBLC-LBPRGKRZSA-N 1 2 350.260 2.568 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCc2cc(Br)ccc2C1 ZINC000192254416 509428984 /nfs/dbraw/zinc/42/89/84/509428984.db2.gz DZDAIHUTPDSBLC-LBPRGKRZSA-N 1 2 350.260 2.568 20 30 FFEDLO Cc1ccc(C)c(N2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000164755467 509531692 /nfs/dbraw/zinc/53/16/92/509531692.db2.gz WSVAQDXLSZQVEZ-GHTZIAJQSA-N 1 2 356.514 2.868 20 30 FFEDLO CCc1[nH+]c2ccccc2n1C1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 ZINC000166257140 509598796 /nfs/dbraw/zinc/59/87/96/509598796.db2.gz WIOYJDVEIGUBHQ-UHFFFAOYSA-N 1 2 372.494 2.869 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000267781556 509611734 /nfs/dbraw/zinc/61/17/34/509611734.db2.gz HWZKZOMRDKSTOY-CRAIPNDOSA-N 1 2 353.470 2.718 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000267781556 509611741 /nfs/dbraw/zinc/61/17/41/509611741.db2.gz HWZKZOMRDKSTOY-CRAIPNDOSA-N 1 2 353.470 2.718 20 30 FFEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccnc(C#N)c2)C[C@@H](C)O1 ZINC000192763363 509633438 /nfs/dbraw/zinc/63/34/38/509633438.db2.gz OKULDVYNPQCKCZ-HUUCEWRRSA-N 1 2 350.422 2.815 20 30 FFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1c(F)cc(C#N)cc1F ZINC000267989540 509705642 /nfs/dbraw/zinc/70/56/42/509705642.db2.gz PNQKCIVFPAZZDL-UHFFFAOYSA-N 1 2 358.270 2.867 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000268013119 509717528 /nfs/dbraw/zinc/71/75/28/509717528.db2.gz ABDBTQRBHYDXPS-GFCCVEGCSA-N 1 2 350.831 2.503 20 30 FFEDLO C=CC[C@H](C(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccccc1 ZINC000186477666 509728018 /nfs/dbraw/zinc/72/80/18/509728018.db2.gz OIAYTKGROVRGLC-IBGZPJMESA-N 1 2 351.450 2.894 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000249707777 509738303 /nfs/dbraw/zinc/73/83/03/509738303.db2.gz BRNOXIDGHWILEC-DYESRHJHSA-N 1 2 350.466 2.901 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000249707777 509738313 /nfs/dbraw/zinc/73/83/13/509738313.db2.gz BRNOXIDGHWILEC-DYESRHJHSA-N 1 2 350.466 2.901 20 30 FFEDLO Cc1nc2sccn2c1C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000268104385 509757055 /nfs/dbraw/zinc/75/70/55/509757055.db2.gz BTDRVHPXBUEXTM-CQSZACIVSA-N 1 2 359.499 2.867 20 30 FFEDLO Cc1nc2sccn2c1C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000268104385 509757058 /nfs/dbraw/zinc/75/70/58/509757058.db2.gz BTDRVHPXBUEXTM-CQSZACIVSA-N 1 2 359.499 2.867 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000249902521 509778584 /nfs/dbraw/zinc/77/85/84/509778584.db2.gz UDHWYHKSJZQMOL-IEBWSBKVSA-N 1 2 374.506 2.993 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000249902521 509778591 /nfs/dbraw/zinc/77/85/91/509778591.db2.gz UDHWYHKSJZQMOL-IEBWSBKVSA-N 1 2 374.506 2.993 20 30 FFEDLO C=CCC(CC=C)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000268147903 509780275 /nfs/dbraw/zinc/78/02/75/509780275.db2.gz DQDUWODDMIUTPT-UHFFFAOYSA-N 1 2 358.482 2.782 20 30 FFEDLO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177058377 509845786 /nfs/dbraw/zinc/84/57/86/509845786.db2.gz FYKCNZROTJPYAU-HZPDHXFCSA-N 1 2 369.494 2.913 20 30 FFEDLO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177058377 509845791 /nfs/dbraw/zinc/84/57/91/509845791.db2.gz FYKCNZROTJPYAU-HZPDHXFCSA-N 1 2 369.494 2.913 20 30 FFEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177120247 509884512 /nfs/dbraw/zinc/88/45/12/509884512.db2.gz HWFJCWBAXVWRBT-KRWDZBQOSA-N 1 2 373.928 2.756 20 30 FFEDLO COc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000265201811 509918246 /nfs/dbraw/zinc/91/82/46/509918246.db2.gz PXPWSGLXHNUDGG-OAHLLOKOSA-N 1 2 365.437 2.873 20 30 FFEDLO C=C(C)CN(CC)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000186873101 509922876 /nfs/dbraw/zinc/92/28/76/509922876.db2.gz RVUHPTJNDBELQT-UHFFFAOYSA-N 1 2 358.486 2.781 20 30 FFEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(NC(=O)[C@H]4CCCO4)cc3)n2c1 ZINC000174288494 510040433 /nfs/dbraw/zinc/04/04/33/510040433.db2.gz FQLDXPLFVSZUHL-GOSISDBHSA-N 1 2 361.405 2.936 20 30 FFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000245634023 510051498 /nfs/dbraw/zinc/05/14/98/510051498.db2.gz UUBXVMLAXNIVNL-JKSUJKDBSA-N 1 2 355.891 2.698 20 30 FFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000245634023 510051507 /nfs/dbraw/zinc/05/15/07/510051507.db2.gz UUBXVMLAXNIVNL-JKSUJKDBSA-N 1 2 355.891 2.698 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000268874672 510113100 /nfs/dbraw/zinc/11/31/00/510113100.db2.gz UZWBJNXORNITPX-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO N#CCCCCNC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000171448752 510164260 /nfs/dbraw/zinc/16/42/60/510164260.db2.gz NQPWZJSDAHBPDJ-UHFFFAOYSA-N 1 2 374.876 2.509 20 30 FFEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000177726416 510220028 /nfs/dbraw/zinc/22/00/28/510220028.db2.gz GKGJJEQLGFFYDO-HWRSSNJWSA-N 1 2 355.463 2.927 20 30 FFEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000177726416 510220033 /nfs/dbraw/zinc/22/00/33/510220033.db2.gz GKGJJEQLGFFYDO-HWRSSNJWSA-N 1 2 355.463 2.927 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246082059 510282217 /nfs/dbraw/zinc/28/22/17/510282217.db2.gz KVRLKOCVRPCUQF-GOEBONIOSA-N 1 2 364.453 2.691 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246082059 510282225 /nfs/dbraw/zinc/28/22/25/510282225.db2.gz KVRLKOCVRPCUQF-GOEBONIOSA-N 1 2 364.453 2.691 20 30 FFEDLO CC[C@@H](C)[N@H+](CC(=O)N(CC)CCC#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000266002201 510352425 /nfs/dbraw/zinc/35/24/25/510352425.db2.gz OFZLXZRFFHCLHM-OAHLLOKOSA-N 1 2 369.469 2.698 20 30 FFEDLO CC[C@@H](C)[N@@H+](CC(=O)N(CC)CCC#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000266002201 510352432 /nfs/dbraw/zinc/35/24/32/510352432.db2.gz OFZLXZRFFHCLHM-OAHLLOKOSA-N 1 2 369.469 2.698 20 30 FFEDLO Cn1cc([C@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)c2ccc(F)cc2)cn1 ZINC000184593236 510404504 /nfs/dbraw/zinc/40/45/04/510404504.db2.gz XELBFRLLBHDYON-HXUWFJFHSA-N 1 2 363.396 2.749 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[S@@](=O)Cc1[nH+]ccn1Cc1ccccc1 ZINC000178116238 510441620 /nfs/dbraw/zinc/44/16/20/510441620.db2.gz IFSBUGMTGPOZBH-VWLOTQADSA-N 1 2 359.495 2.605 20 30 FFEDLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000266167906 510444146 /nfs/dbraw/zinc/44/41/46/510444146.db2.gz BAMWQSMQMHTSTA-RYUDHWBXSA-N 1 2 373.400 2.965 20 30 FFEDLO CN(C)c1[nH+]cccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000171920423 510452427 /nfs/dbraw/zinc/45/24/27/510452427.db2.gz MYMVHQOOWCCLGF-UHFFFAOYSA-N 1 2 365.437 2.813 20 30 FFEDLO N#Cc1cc(F)c(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c(F)c1 ZINC000178233858 510501089 /nfs/dbraw/zinc/50/10/89/510501089.db2.gz MLVVZWWOEBZEKH-UHFFFAOYSA-N 1 2 359.351 2.934 20 30 FFEDLO C=CCNc1ncc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000181876457 510635813 /nfs/dbraw/zinc/63/58/13/510635813.db2.gz XGZFDVQBTBIAGD-UHFFFAOYSA-N 1 2 358.467 2.826 20 30 FFEDLO CCSCC[C@H](C)[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000266628777 510697236 /nfs/dbraw/zinc/69/72/36/510697236.db2.gz OUBCEHWMRVBGOO-DZGCQCFKSA-N 1 2 372.494 2.975 20 30 FFEDLO CCSCC[C@H](C)[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000266628777 510697238 /nfs/dbraw/zinc/69/72/38/510697238.db2.gz OUBCEHWMRVBGOO-DZGCQCFKSA-N 1 2 372.494 2.975 20 30 FFEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(C#N)c(C)n1 ZINC000172460419 510737464 /nfs/dbraw/zinc/73/74/64/510737464.db2.gz NNHGSDKZXOXCGF-UHFFFAOYSA-N 1 2 350.422 2.655 20 30 FFEDLO Cc1ccn2cc(CNC(=O)N3CCN(c4ccccc4C#N)CC3)[nH+]c2c1 ZINC000263668411 510778938 /nfs/dbraw/zinc/77/89/38/510778938.db2.gz BNTPLZIMYQTWLQ-UHFFFAOYSA-N 1 2 374.448 2.546 20 30 FFEDLO C[C@@H]1CCC[C@H](CNC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)C1 ZINC000329910005 510875725 /nfs/dbraw/zinc/87/57/25/510875725.db2.gz MXCVJIWNPYRLHP-FZCLSBEQSA-N 1 2 365.497 2.662 20 30 FFEDLO C[C@@H]1CCC[C@H](CNC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)C1 ZINC000329910005 510875728 /nfs/dbraw/zinc/87/57/28/510875728.db2.gz MXCVJIWNPYRLHP-FZCLSBEQSA-N 1 2 365.497 2.662 20 30 FFEDLO Cc1coc(-c2ccc(C)c(NC(=O)NC[C@H]3CN(C)CC[N@@H+]3C)c2)n1 ZINC000329915087 510877098 /nfs/dbraw/zinc/87/70/98/510877098.db2.gz YEDKWSBIGZWLEA-INIZCTEOSA-N 1 2 357.458 2.530 20 30 FFEDLO Cc1coc(-c2ccc(C)c(NC(=O)NC[C@H]3CN(C)CC[N@H+]3C)c2)n1 ZINC000329915087 510877104 /nfs/dbraw/zinc/87/71/04/510877104.db2.gz YEDKWSBIGZWLEA-INIZCTEOSA-N 1 2 357.458 2.530 20 30 FFEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4nc(C5CC5)sc4c3)C[C@H]21 ZINC000329924179 510878183 /nfs/dbraw/zinc/87/81/83/510878183.db2.gz IVTLSYDZWLHTPW-HUUCEWRRSA-N 1 2 358.467 2.734 20 30 FFEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4nc(C5CC5)sc4c3)C[C@H]21 ZINC000329924179 510878189 /nfs/dbraw/zinc/87/81/89/510878189.db2.gz IVTLSYDZWLHTPW-HUUCEWRRSA-N 1 2 358.467 2.734 20 30 FFEDLO Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c1 ZINC000329989771 510895363 /nfs/dbraw/zinc/89/53/63/510895363.db2.gz IJXNMZTZRFJLTF-HKUYNNGSSA-N 1 2 369.513 2.871 20 30 FFEDLO C=C(C)CN(CC)C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000275448862 510899910 /nfs/dbraw/zinc/89/99/10/510899910.db2.gz SDBGTCZGMJBBEB-UHFFFAOYSA-N 1 2 364.449 2.965 20 30 FFEDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cn([C@@H]2CCOC2)nn1 ZINC000330050508 510906659 /nfs/dbraw/zinc/90/66/59/510906659.db2.gz LVUOJCITDOAMQC-MRXNPFEDSA-N 1 2 370.457 2.520 20 30 FFEDLO O=C(NC[C@H]1CCC2(CCCCC2)O1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000330057117 510907056 /nfs/dbraw/zinc/90/70/56/510907056.db2.gz WYARBXZIVWHVFJ-LJQANCHMSA-N 1 2 372.513 2.995 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)Nc2nc(C(C)(C)C)cs2)CCN1C ZINC000330064447 510910084 /nfs/dbraw/zinc/91/00/84/510910084.db2.gz RDLMWWHKHWMZDX-GFCCVEGCSA-N 1 2 362.503 2.708 20 30 FFEDLO O=C(C[N@@H+]1CCOC2(CCCC2)C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000330140289 510923204 /nfs/dbraw/zinc/92/32/04/510923204.db2.gz WVSGWEBFEYNQMS-UHFFFAOYSA-N 1 2 361.398 2.562 20 30 FFEDLO O=C(C[N@H+]1CCOC2(CCCC2)C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000330140289 510923209 /nfs/dbraw/zinc/92/32/09/510923209.db2.gz WVSGWEBFEYNQMS-UHFFFAOYSA-N 1 2 361.398 2.562 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](Cc3cn4cccnc4n3)CC2)c(F)c1 ZINC000285482506 510924961 /nfs/dbraw/zinc/92/49/61/510924961.db2.gz LRBROFGPRTYTSS-UHFFFAOYSA-N 1 2 351.385 2.783 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)N[C@H]2CCCSC2)[NH+]2CCOCC2)c1 ZINC000330147081 510926042 /nfs/dbraw/zinc/92/60/42/510926042.db2.gz IKISRSAYWZDTOL-ROUUACIJSA-N 1 2 363.527 2.768 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000330183332 510932377 /nfs/dbraw/zinc/93/23/77/510932377.db2.gz HVLFJMOPXWLZCQ-OAHLLOKOSA-N 1 2 362.437 2.778 20 30 FFEDLO O=C(C[N@@H+]1CCS[C@H]2COCC[C@H]21)Nc1ccc2c(c1)OCCCO2 ZINC000330189430 510933313 /nfs/dbraw/zinc/93/33/13/510933313.db2.gz VHBUNGOVSAJCQB-PBHICJAKSA-N 1 2 364.467 2.642 20 30 FFEDLO O=C(C[N@H+]1CCS[C@H]2COCC[C@H]21)Nc1ccc2c(c1)OCCCO2 ZINC000330189430 510933319 /nfs/dbraw/zinc/93/33/19/510933319.db2.gz VHBUNGOVSAJCQB-PBHICJAKSA-N 1 2 364.467 2.642 20 30 FFEDLO Cc1ccc(C)c(N2CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC2)c1 ZINC000330199519 510935531 /nfs/dbraw/zinc/93/55/31/510935531.db2.gz VNRVJQFBZLNGSY-QGZVFWFLSA-N 1 2 353.470 2.551 20 30 FFEDLO Cc1ccc(C)c(N2CCN(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)CC2)c1 ZINC000330199519 510935533 /nfs/dbraw/zinc/93/55/33/510935533.db2.gz VNRVJQFBZLNGSY-QGZVFWFLSA-N 1 2 353.470 2.551 20 30 FFEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)[C@]1(c2ccccc2)CCCCC1=O ZINC000276497254 510940314 /nfs/dbraw/zinc/94/03/14/510940314.db2.gz WZZCPZNVAYZNCW-NRFANRHFSA-N 1 2 366.465 2.613 20 30 FFEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@]1(c2ccccc2)CCCCC1=O ZINC000276497254 510940322 /nfs/dbraw/zinc/94/03/22/510940322.db2.gz WZZCPZNVAYZNCW-NRFANRHFSA-N 1 2 366.465 2.613 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H](COC)[C@H]1CCCO1 ZINC000330267159 510952496 /nfs/dbraw/zinc/95/24/96/510952496.db2.gz HZAWZJMZGJWUKG-OWCLPIDISA-N 1 2 350.463 2.538 20 30 FFEDLO CCc1nc2n(n1)C[C@H](NC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC)CC2 ZINC000330276142 510954762 /nfs/dbraw/zinc/95/47/62/510954762.db2.gz MLYXCPLDVDLVEM-CABCVRRESA-N 1 2 371.489 2.513 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2cnc3c(c2)CCCC3)CCO1 ZINC000330319451 510963586 /nfs/dbraw/zinc/96/35/86/510963586.db2.gz DFDVKAQTCCGVTA-KDOFPFPSSA-N 1 2 355.442 2.940 20 30 FFEDLO CNC(=O)c1ccc(C)c(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)c1 ZINC000330326481 510964454 /nfs/dbraw/zinc/96/44/54/510964454.db2.gz KDQPYBKTOKPAJG-PBHICJAKSA-N 1 2 371.441 2.909 20 30 FFEDLO CCN1CCN(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330361678 510974446 /nfs/dbraw/zinc/97/44/46/510974446.db2.gz YQVMUNRSGWTJFV-CQSZACIVSA-N 1 2 371.441 2.841 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)cc1OC ZINC000278738750 511006434 /nfs/dbraw/zinc/00/64/34/511006434.db2.gz RDJDMMYNZVMPFC-MRXNPFEDSA-N 1 2 353.484 2.659 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)cc1OC ZINC000278738750 511006439 /nfs/dbraw/zinc/00/64/39/511006439.db2.gz RDJDMMYNZVMPFC-MRXNPFEDSA-N 1 2 353.484 2.659 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000278976335 511016637 /nfs/dbraw/zinc/01/66/37/511016637.db2.gz DABBXLCWQRMXKZ-JFIYKMOQSA-N 1 2 364.511 2.527 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000279026695 511017062 /nfs/dbraw/zinc/01/70/62/511017062.db2.gz JANAPIWXHMSDEB-JFIYKMOQSA-N 1 2 364.511 2.561 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@](F)(CO)C2)c1 ZINC000286753527 511031590 /nfs/dbraw/zinc/03/15/90/511031590.db2.gz FLMJYXCLNPNOIX-YLJYHZDGSA-N 1 2 361.461 2.735 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@](F)(CO)C2)c1 ZINC000286753527 511031594 /nfs/dbraw/zinc/03/15/94/511031594.db2.gz FLMJYXCLNPNOIX-YLJYHZDGSA-N 1 2 361.461 2.735 20 30 FFEDLO C=C(CNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)c1ccccc1 ZINC000287171931 511042650 /nfs/dbraw/zinc/04/26/50/511042650.db2.gz RQGUXIBGGBQBJV-KRWDZBQOSA-N 1 2 366.465 2.819 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)C(C)(C)CO ZINC000297723184 511046714 /nfs/dbraw/zinc/04/67/14/511046714.db2.gz RYUUJLPIGISMBG-CQSZACIVSA-N 1 2 361.833 2.826 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3c(Cl)nc4ccccn43)CC2)c1 ZINC000271041989 511065876 /nfs/dbraw/zinc/06/58/76/511065876.db2.gz NMDOMOHIAAOAKZ-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)nn1CCC#N ZINC000271100003 511082998 /nfs/dbraw/zinc/08/29/98/511082998.db2.gz XTIHHWRLIDLJOK-KRWDZBQOSA-N 1 2 355.417 2.847 20 30 FFEDLO Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)nn1CCC#N ZINC000271100003 511083001 /nfs/dbraw/zinc/08/30/01/511083001.db2.gz XTIHHWRLIDLJOK-KRWDZBQOSA-N 1 2 355.417 2.847 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000289042743 511092181 /nfs/dbraw/zinc/09/21/81/511092181.db2.gz PUTTUHMCZSBZCS-OAHLLOKOSA-N 1 2 355.438 2.591 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000289042743 511092183 /nfs/dbraw/zinc/09/21/83/511092183.db2.gz PUTTUHMCZSBZCS-OAHLLOKOSA-N 1 2 355.438 2.591 20 30 FFEDLO N#CCCn1ccc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282788466 511111806 /nfs/dbraw/zinc/11/18/06/511111806.db2.gz QXBOBJSRBAECRT-OAHLLOKOSA-N 1 2 367.457 2.741 20 30 FFEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000271282918 511148645 /nfs/dbraw/zinc/14/86/45/511148645.db2.gz PSEMZENLIKZHDY-CQSZACIVSA-N 1 2 367.501 2.627 20 30 FFEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000271282918 511148648 /nfs/dbraw/zinc/14/86/48/511148648.db2.gz PSEMZENLIKZHDY-CQSZACIVSA-N 1 2 367.501 2.627 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccnn3-c3ccc(F)cc3)CC2)c1 ZINC000279683535 511175552 /nfs/dbraw/zinc/17/55/52/511175552.db2.gz PZUMQPUMRVJHMO-UHFFFAOYSA-N 1 2 362.412 2.600 20 30 FFEDLO CCc1ccccc1NC(=O)C[NH+]1CCN(c2ccc(C#N)c(C)n2)CC1 ZINC000291546197 511240789 /nfs/dbraw/zinc/24/07/89/511240789.db2.gz AEWDUYZNAVQKII-UHFFFAOYSA-N 1 2 363.465 2.585 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)c3ccnc(-n4cc[nH+]c4)c3)CC2)cc1 ZINC000363070460 511335200 /nfs/dbraw/zinc/33/52/00/511335200.db2.gz PVILUPIMXQJVLO-UHFFFAOYSA-N 1 2 373.416 2.823 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(C)n(CCC#N)n2)c1C ZINC000272008975 511399323 /nfs/dbraw/zinc/39/93/23/511399323.db2.gz AKXIOVXGLXSFGI-UHFFFAOYSA-N 1 2 356.430 2.790 20 30 FFEDLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292042880 511442638 /nfs/dbraw/zinc/44/26/38/511442638.db2.gz ARTDUHMUJDENGN-YJBOKZPZSA-N 1 2 360.421 2.748 20 30 FFEDLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292042880 511442643 /nfs/dbraw/zinc/44/26/43/511442643.db2.gz ARTDUHMUJDENGN-YJBOKZPZSA-N 1 2 360.421 2.748 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(F)cc3Cl)C2)nc1 ZINC000292110606 511469089 /nfs/dbraw/zinc/46/90/89/511469089.db2.gz HBSLEGONOWSPND-CQSZACIVSA-N 1 2 374.803 2.838 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3ccc(F)cc3Cl)C2)nc1 ZINC000292110606 511469091 /nfs/dbraw/zinc/46/90/91/511469091.db2.gz HBSLEGONOWSPND-CQSZACIVSA-N 1 2 374.803 2.838 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3ccc(F)cc3Cl)C2)nc1 ZINC000292110601 511469551 /nfs/dbraw/zinc/46/95/51/511469551.db2.gz HBSLEGONOWSPND-AWEZNQCLSA-N 1 2 374.803 2.838 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3ccc(F)cc3Cl)C2)nc1 ZINC000292110601 511469556 /nfs/dbraw/zinc/46/95/56/511469556.db2.gz HBSLEGONOWSPND-AWEZNQCLSA-N 1 2 374.803 2.838 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nc(-c4ccccc4F)no3)C2)nc1 ZINC000292158116 511487249 /nfs/dbraw/zinc/48/72/49/511487249.db2.gz KSFCVGGOEHZQIC-AWEZNQCLSA-N 1 2 365.368 2.796 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nc(-c4ccccc4F)no3)C2)nc1 ZINC000292158116 511487252 /nfs/dbraw/zinc/48/72/52/511487252.db2.gz KSFCVGGOEHZQIC-AWEZNQCLSA-N 1 2 365.368 2.796 20 30 FFEDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(C#N)cc1Br)CCO2 ZINC000280534165 511502070 /nfs/dbraw/zinc/50/20/70/511502070.db2.gz SOUUWGWTQIQCFJ-LRDDRELGSA-N 1 2 351.244 2.701 20 30 FFEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(C#N)cc1Br)CCO2 ZINC000280534165 511502073 /nfs/dbraw/zinc/50/20/73/511502073.db2.gz SOUUWGWTQIQCFJ-LRDDRELGSA-N 1 2 351.244 2.701 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(/C=C/c3ccc(OCC#N)cc3)n2)C1 ZINC000272687859 511503692 /nfs/dbraw/zinc/50/36/92/511503692.db2.gz TUOPBBKVRXDHBB-JZLODUJNSA-N 1 2 354.410 2.924 20 30 FFEDLO CC(C)[N@H+]1CCO[C@H](c2noc(/C=C/c3ccc(OCC#N)cc3)n2)C1 ZINC000272687859 511503694 /nfs/dbraw/zinc/50/36/94/511503694.db2.gz TUOPBBKVRXDHBB-JZLODUJNSA-N 1 2 354.410 2.924 20 30 FFEDLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(F)c1 ZINC000292237389 511516743 /nfs/dbraw/zinc/51/67/43/511516743.db2.gz QAMBFQMJGKOIBS-GDBMZVCRSA-N 1 2 368.412 2.881 20 30 FFEDLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(F)c1 ZINC000292237389 511516746 /nfs/dbraw/zinc/51/67/46/511516746.db2.gz QAMBFQMJGKOIBS-GDBMZVCRSA-N 1 2 368.412 2.881 20 30 FFEDLO CCc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292290870 511539945 /nfs/dbraw/zinc/53/99/45/511539945.db2.gz UEXMUSDSEVWZMY-GOSISDBHSA-N 1 2 364.449 2.916 20 30 FFEDLO CCc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292290870 511539951 /nfs/dbraw/zinc/53/99/51/511539951.db2.gz UEXMUSDSEVWZMY-GOSISDBHSA-N 1 2 364.449 2.916 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000280704620 511569514 /nfs/dbraw/zinc/56/95/14/511569514.db2.gz LTFBDRNCIGMOKB-INIZCTEOSA-N 1 2 369.400 2.606 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000292367295 511569920 /nfs/dbraw/zinc/56/99/20/511569920.db2.gz QQNQHMGNZFUDPQ-INIZCTEOSA-N 1 2 362.430 2.830 20 30 FFEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)CC)ccc2Cl)CC1 ZINC000280805847 511609706 /nfs/dbraw/zinc/60/97/06/511609706.db2.gz WJYLPJXXXDKRGY-UHFFFAOYSA-N 1 2 370.902 2.861 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000296148873 511635518 /nfs/dbraw/zinc/63/55/18/511635518.db2.gz YHQPBXUSUFIPNU-KRWDZBQOSA-N 1 2 357.458 2.621 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000280870318 511635625 /nfs/dbraw/zinc/63/56/25/511635625.db2.gz CJCOBXPHJNVQFO-JSGCOSHPSA-N 1 2 360.380 2.568 20 30 FFEDLO Cc1nc(C(C)C)ccc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000292725194 511698847 /nfs/dbraw/zinc/69/88/47/511698847.db2.gz GCHXIVVMLNGHMM-OAHLLOKOSA-N 1 2 350.470 2.886 20 30 FFEDLO Cc1nc(C(C)C)ccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000292725194 511698849 /nfs/dbraw/zinc/69/88/49/511698849.db2.gz GCHXIVVMLNGHMM-OAHLLOKOSA-N 1 2 350.470 2.886 20 30 FFEDLO Cc1nc(C(C)C)ccc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000292725188 511699232 /nfs/dbraw/zinc/69/92/32/511699232.db2.gz GCHXIVVMLNGHMM-HNNXBMFYSA-N 1 2 350.470 2.886 20 30 FFEDLO Cc1nc(C(C)C)ccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000292725188 511699239 /nfs/dbraw/zinc/69/92/39/511699239.db2.gz GCHXIVVMLNGHMM-HNNXBMFYSA-N 1 2 350.470 2.886 20 30 FFEDLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000302771100 511713644 /nfs/dbraw/zinc/71/36/44/511713644.db2.gz ZUQCYOOWDLVDTF-FXAWDEMLSA-N 1 2 357.454 2.649 20 30 FFEDLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000302771100 511713651 /nfs/dbraw/zinc/71/36/51/511713651.db2.gz ZUQCYOOWDLVDTF-FXAWDEMLSA-N 1 2 357.454 2.649 20 30 FFEDLO C=CCC[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1)c1ccccc1 ZINC000284518546 511755833 /nfs/dbraw/zinc/75/58/33/511755833.db2.gz JWAONEHWACQTFE-SFHVURJKSA-N 1 2 366.465 2.588 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)C1=O ZINC000281247589 511773890 /nfs/dbraw/zinc/77/38/90/511773890.db2.gz GNYTUNNJBPGODB-DOTOQJQBSA-N 1 2 369.465 2.671 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)C1=O ZINC000281247589 511773896 /nfs/dbraw/zinc/77/38/96/511773896.db2.gz GNYTUNNJBPGODB-DOTOQJQBSA-N 1 2 369.465 2.671 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000281258757 511778773 /nfs/dbraw/zinc/77/87/73/511778773.db2.gz QJYZNBKQZQHSHP-LJQANCHMSA-N 1 2 363.465 2.938 20 30 FFEDLO C[C@@H]1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)[C@H]1CO ZINC000328618605 511894585 /nfs/dbraw/zinc/89/45/85/511894585.db2.gz VGBMSCBWSMJPSH-NFAWXSAZSA-N 1 2 352.504 2.623 20 30 FFEDLO C[C@@H]1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)[C@H]1CO ZINC000328618605 511894590 /nfs/dbraw/zinc/89/45/90/511894590.db2.gz VGBMSCBWSMJPSH-NFAWXSAZSA-N 1 2 352.504 2.623 20 30 FFEDLO C#C[C@H](NC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C(C)C ZINC000281581179 511898113 /nfs/dbraw/zinc/89/81/13/511898113.db2.gz QPUJZPVPRSVQAU-SFHVURJKSA-N 1 2 364.449 2.599 20 30 FFEDLO Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)Nc2cc[nH+]cc2C)cs1 ZINC000328640229 511904728 /nfs/dbraw/zinc/90/47/28/511904728.db2.gz PXABOFFMSGDYGP-ZFWWWQNUSA-N 1 2 363.462 2.515 20 30 FFEDLO O=C(C[NH+]1CCN(c2cccnn2)CC1)N[C@H]1CCCc2ccccc21 ZINC000328689077 511914847 /nfs/dbraw/zinc/91/48/47/511914847.db2.gz CWLMLPCMERWGTH-SFHVURJKSA-N 1 2 351.454 2.633 20 30 FFEDLO O=C(N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOCC12CCC2)C1CCCCC1 ZINC000328786680 511931298 /nfs/dbraw/zinc/93/12/98/511931298.db2.gz OQBLTPDMVIBCCY-QGZVFWFLSA-N 1 2 374.485 2.639 20 30 FFEDLO O=C(N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOCC12CCC2)C1CCCCC1 ZINC000328786680 511931303 /nfs/dbraw/zinc/93/13/03/511931303.db2.gz OQBLTPDMVIBCCY-QGZVFWFLSA-N 1 2 374.485 2.639 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000281719436 511944285 /nfs/dbraw/zinc/94/42/85/511944285.db2.gz JGRKNEKBVONENT-HKUYNNGSSA-N 1 2 358.486 2.852 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000281763230 511957906 /nfs/dbraw/zinc/95/79/06/511957906.db2.gz SRTLHQDEHKOFKC-QGZVFWFLSA-N 1 2 358.467 2.832 20 30 FFEDLO Cc1ccccc1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000328968782 511958135 /nfs/dbraw/zinc/95/81/35/511958135.db2.gz AMSWOIWRXLYNCK-VQIMIIECSA-N 1 2 352.438 2.928 20 30 FFEDLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)NCC1(c2ccccc2)CC1 ZINC000328973955 511959630 /nfs/dbraw/zinc/95/96/30/511959630.db2.gz PMLIQLBWIJQTTE-IPMKNSEASA-N 1 2 358.482 2.537 20 30 FFEDLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)NCC1(c2ccccc2)CC1 ZINC000328973955 511959638 /nfs/dbraw/zinc/95/96/38/511959638.db2.gz PMLIQLBWIJQTTE-IPMKNSEASA-N 1 2 358.482 2.537 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)c2cc(F)cc(F)c2)CCC(=O)N1C1CC1 ZINC000328992407 511963021 /nfs/dbraw/zinc/96/30/21/511963021.db2.gz DMPSWZAQSJTJGJ-CRAIPNDOSA-N 1 2 374.391 2.898 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000328994698 511963897 /nfs/dbraw/zinc/96/38/97/511963897.db2.gz FBZPGEICIDEGEH-KKUMJFAQSA-N 1 2 352.385 2.624 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000328994698 511963899 /nfs/dbraw/zinc/96/38/99/511963899.db2.gz FBZPGEICIDEGEH-KKUMJFAQSA-N 1 2 352.385 2.624 20 30 FFEDLO COc1cccc(N2CCC[C@@H](NC(=O)C3([NH+]4CCOCC4)CCC3)C2)c1 ZINC000329100612 511983484 /nfs/dbraw/zinc/98/34/84/511983484.db2.gz MPXSPIMXTSDMRU-QGZVFWFLSA-N 1 2 373.497 2.875 20 30 FFEDLO CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CC(c3nc4ccccc4s3)C2)C1 ZINC000329191209 512003066 /nfs/dbraw/zinc/00/30/66/512003066.db2.gz SDVBVMKBIKDXCN-HNNXBMFYSA-N 1 2 372.494 2.663 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000281907457 512008013 /nfs/dbraw/zinc/00/80/13/512008013.db2.gz VHOBXXUGVCMIRI-QAPCUYQASA-N 1 2 358.417 2.792 20 30 FFEDLO CC(C)OC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000364195652 512012770 /nfs/dbraw/zinc/01/27/70/512012770.db2.gz FODWODNHTMYSFS-IBGZPJMESA-N 1 2 354.454 2.585 20 30 FFEDLO CC(C)OC[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000364195652 512012776 /nfs/dbraw/zinc/01/27/76/512012776.db2.gz FODWODNHTMYSFS-IBGZPJMESA-N 1 2 354.454 2.585 20 30 FFEDLO Cn1cc2c(n1)CCC[C@@H]2C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000329301815 512023095 /nfs/dbraw/zinc/02/30/95/512023095.db2.gz WAHNNBJWTVPFDS-ROUUACIJSA-N 1 2 368.481 2.698 20 30 FFEDLO Cn1cc2c(n1)CCC[C@@H]2C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000329301815 512023099 /nfs/dbraw/zinc/02/30/99/512023099.db2.gz WAHNNBJWTVPFDS-ROUUACIJSA-N 1 2 368.481 2.698 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)CNC(=O)c1cccs1)C2 ZINC000329314832 512025412 /nfs/dbraw/zinc/02/54/12/512025412.db2.gz CNVCDYYUGGAWER-LBPRGKRZSA-N 1 2 360.483 2.943 20 30 FFEDLO Cc1cc(NC(=O)[C@H]2CCS(=O)(=O)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329316330 512026394 /nfs/dbraw/zinc/02/63/94/512026394.db2.gz CWPYIPYNAALCGK-KBPBESRZSA-N 1 2 351.472 2.792 20 30 FFEDLO N#CC1CCC(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000281967713 512030536 /nfs/dbraw/zinc/03/05/36/512030536.db2.gz VLMJWEOUJKSQLN-QLOJAFMTSA-N 1 2 370.497 2.689 20 30 FFEDLO CC[C@@H]1C[C@H](C(=O)NC[C@H]2CCCN2c2cc(NC)[nH+]cn2)CC(=O)N1 ZINC000329408694 512040391 /nfs/dbraw/zinc/04/03/91/512040391.db2.gz DGIYVVBIPMQDLY-BFHYXJOUSA-N 1 2 360.462 2.589 20 30 FFEDLO CC[C@@H]1C[C@H](C(=O)NC[C@H]2CCCN2c2cc(NC)nc[nH+]2)CC(=O)N1 ZINC000329408694 512040399 /nfs/dbraw/zinc/04/03/99/512040399.db2.gz DGIYVVBIPMQDLY-BFHYXJOUSA-N 1 2 360.462 2.589 20 30 FFEDLO CN(CC1CCCCC1)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329414553 512041351 /nfs/dbraw/zinc/04/13/51/512041351.db2.gz FSCDYKDHTBUWEE-UHFFFAOYSA-N 1 2 373.501 2.527 20 30 FFEDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCCC2(CCOCC2)C1 ZINC000329797635 512098708 /nfs/dbraw/zinc/09/87/08/512098708.db2.gz HIEIFFYPVFTXRN-UHFFFAOYSA-N 1 2 358.486 2.857 20 30 FFEDLO C[C@@]1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCS1 ZINC000329856887 512104333 /nfs/dbraw/zinc/10/43/33/512104333.db2.gz YQMRMRDGOHWICQ-IBGZPJMESA-N 1 2 358.511 2.876 20 30 FFEDLO Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCN(C)[C@H](c3nccn3C)C2)cc1 ZINC000329894005 512105549 /nfs/dbraw/zinc/10/55/49/512105549.db2.gz AXWDJMSXSVJAHG-WMZOPIPTSA-N 1 2 355.486 2.562 20 30 FFEDLO Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CCN(C)[C@H](c3nccn3C)C2)cc1 ZINC000329894005 512105550 /nfs/dbraw/zinc/10/55/50/512105550.db2.gz AXWDJMSXSVJAHG-WMZOPIPTSA-N 1 2 355.486 2.562 20 30 FFEDLO CCN1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329892097 512105569 /nfs/dbraw/zinc/10/55/69/512105569.db2.gz AAFGSUIVQXTHNV-CVEARBPZSA-N 1 2 358.490 2.660 20 30 FFEDLO COc1ccc([C@@H](NC(=O)NCC2(CC#N)CC2)c2[nH+]ccn2C)cc1 ZINC000373735887 512479561 /nfs/dbraw/zinc/47/95/61/512479561.db2.gz KEOCFYQAEMAHQM-MRXNPFEDSA-N 1 2 353.426 2.511 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375767499 512497030 /nfs/dbraw/zinc/49/70/30/512497030.db2.gz FQUIJWRQQDVFFK-MSOLQXFVSA-N 1 2 361.417 2.567 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375767499 512497036 /nfs/dbraw/zinc/49/70/36/512497036.db2.gz FQUIJWRQQDVFFK-MSOLQXFVSA-N 1 2 361.417 2.567 20 30 FFEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000367745285 512643993 /nfs/dbraw/zinc/64/39/93/512643993.db2.gz FURWBWNZPIUDLB-SFHVURJKSA-N 1 2 350.466 2.696 20 30 FFEDLO C=CCN(CCc1ccco1)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000376177296 512695985 /nfs/dbraw/zinc/69/59/85/512695985.db2.gz GRLANDWNNCMUKP-UHFFFAOYSA-N 1 2 351.410 2.801 20 30 FFEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCN4C(=O)OC[C@@H]4C3)c2)c1 ZINC000378345393 512705616 /nfs/dbraw/zinc/70/56/16/512705616.db2.gz JWZFTWSIYZETMA-IBGZPJMESA-N 1 2 363.417 2.774 20 30 FFEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCN4C(=O)OC[C@@H]4C3)c2)c1 ZINC000378345393 512705619 /nfs/dbraw/zinc/70/56/19/512705619.db2.gz JWZFTWSIYZETMA-IBGZPJMESA-N 1 2 363.417 2.774 20 30 FFEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCN4C(=O)OC[C@H]4C3)c2)c1 ZINC000378345394 512705882 /nfs/dbraw/zinc/70/58/82/512705882.db2.gz JWZFTWSIYZETMA-LJQANCHMSA-N 1 2 363.417 2.774 20 30 FFEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCN4C(=O)OC[C@H]4C3)c2)c1 ZINC000378345394 512705886 /nfs/dbraw/zinc/70/58/86/512705886.db2.gz JWZFTWSIYZETMA-LJQANCHMSA-N 1 2 363.417 2.774 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([NH2+][C@@H](CO)c3cccc(Cl)c3F)C2=O)cc1 ZINC000411664636 512745207 /nfs/dbraw/zinc/74/52/07/512745207.db2.gz FCKJWQHINYVCGP-SJORKVTESA-N 1 2 373.815 2.779 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(c3ccccn3)CC2)C1=O ZINC000372217836 512766974 /nfs/dbraw/zinc/76/69/74/512766974.db2.gz MPVWJHUDOGFNJZ-QGZVFWFLSA-N 1 2 352.463 3.000 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1ncccc1OCCCC#N)CCC2 ZINC000376414711 512809725 /nfs/dbraw/zinc/80/97/25/512809725.db2.gz ZKCAOQMQEUMOIJ-HNNXBMFYSA-N 1 2 368.441 2.968 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1 ZINC000368204163 512844993 /nfs/dbraw/zinc/84/49/93/512844993.db2.gz VKZJCELMALSCMI-SFHVURJKSA-N 1 2 374.437 2.624 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1 ZINC000368204163 512844997 /nfs/dbraw/zinc/84/49/97/512844997.db2.gz VKZJCELMALSCMI-SFHVURJKSA-N 1 2 374.437 2.624 20 30 FFEDLO Cc1oc(NC(=O)C[NH2+][C@H](c2cnn(C)c2)c2ccccc2)c(C#N)c1C ZINC000378654635 512868028 /nfs/dbraw/zinc/86/80/28/512868028.db2.gz WRXZDWBSUOVCHO-IBGZPJMESA-N 1 2 363.421 2.819 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411947801 512884839 /nfs/dbraw/zinc/88/48/39/512884839.db2.gz PKMHPBFPRATWLV-WMZOPIPTSA-N 1 2 355.825 2.958 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411947801 512884844 /nfs/dbraw/zinc/88/48/44/512884844.db2.gz PKMHPBFPRATWLV-WMZOPIPTSA-N 1 2 355.825 2.958 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000412043847 512927914 /nfs/dbraw/zinc/92/79/14/512927914.db2.gz PTSPKGAOTUZHOG-UKRRQHHQSA-N 1 2 359.499 2.567 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000412043847 512927919 /nfs/dbraw/zinc/92/79/19/512927919.db2.gz PTSPKGAOTUZHOG-UKRRQHHQSA-N 1 2 359.499 2.567 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2nc(C)n[nH]2)C1 ZINC000412043847 512927923 /nfs/dbraw/zinc/92/79/23/512927923.db2.gz PTSPKGAOTUZHOG-UKRRQHHQSA-N 1 2 359.499 2.567 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](c2nc(C)n[nH]2)C1 ZINC000412043847 512927926 /nfs/dbraw/zinc/92/79/26/512927926.db2.gz PTSPKGAOTUZHOG-UKRRQHHQSA-N 1 2 359.499 2.567 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000412043847 512927930 /nfs/dbraw/zinc/92/79/30/512927930.db2.gz PTSPKGAOTUZHOG-UKRRQHHQSA-N 1 2 359.499 2.567 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000412043847 512927934 /nfs/dbraw/zinc/92/79/34/512927934.db2.gz PTSPKGAOTUZHOG-UKRRQHHQSA-N 1 2 359.499 2.567 20 30 FFEDLO C=CCC[C@@H](O)C[N@H+]1CCOC[C@@H]1c1c(C)nn(CC(F)(F)F)c1C ZINC000368434804 512948416 /nfs/dbraw/zinc/94/84/16/512948416.db2.gz QGGSWUGEDSWONJ-HUUCEWRRSA-N 1 2 361.408 2.763 20 30 FFEDLO C=CCC[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1c(C)nn(CC(F)(F)F)c1C ZINC000368434804 512948420 /nfs/dbraw/zinc/94/84/20/512948420.db2.gz QGGSWUGEDSWONJ-HUUCEWRRSA-N 1 2 361.408 2.763 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000407974267 512977828 /nfs/dbraw/zinc/97/78/28/512977828.db2.gz SGNHJECUOFVCPC-KSZLIROESA-N 1 2 354.498 2.573 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3F)CCO2)c1 ZINC000372840997 513068573 /nfs/dbraw/zinc/06/85/73/513068573.db2.gz WIJXZGRGBMPQRV-XLIONFOSSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3F)CCO2)c1 ZINC000372840997 513068579 /nfs/dbraw/zinc/06/85/79/513068579.db2.gz WIJXZGRGBMPQRV-XLIONFOSSA-N 1 2 356.397 2.511 20 30 FFEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433861964 513169717 /nfs/dbraw/zinc/16/97/17/513169717.db2.gz HGUHNMZHVBHHTK-UHFFFAOYSA-N 1 2 366.240 2.931 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000439812088 513187017 /nfs/dbraw/zinc/18/70/17/513187017.db2.gz SCFCMOZRCSQMIP-UHFFFAOYSA-N 1 2 360.433 2.783 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)CCOCC1 ZINC000424584047 513192583 /nfs/dbraw/zinc/19/25/83/513192583.db2.gz NEWUBRBRIXTQFI-FQEVSTJZSA-N 1 2 372.509 2.857 20 30 FFEDLO C=CCCn1cc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)nn1 ZINC000424598544 513198808 /nfs/dbraw/zinc/19/88/08/513198808.db2.gz VGZKXCGDGMZYBV-UHFFFAOYSA-N 1 2 354.458 2.560 20 30 FFEDLO CC(C)C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nc(-c2nc[nH]n2)no1 ZINC000421342907 513230499 /nfs/dbraw/zinc/23/04/99/513230499.db2.gz PETYPBVJQBLZIL-AWEZNQCLSA-N 1 2 355.377 2.742 20 30 FFEDLO CCOC(=O)c1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)nc1 ZINC000450565878 513253591 /nfs/dbraw/zinc/25/35/91/513253591.db2.gz KQRFOPLMPQNPHZ-FQEVSTJZSA-N 1 2 364.449 2.641 20 30 FFEDLO Cc1cc(Br)cn2cc(CCNC(=O)[C@@]3(C#N)C[C@@H]3C)[nH+]c12 ZINC000450600798 513268188 /nfs/dbraw/zinc/26/81/88/513268188.db2.gz UBPQUUKHTDVJKS-MEDUHNTESA-N 1 2 361.243 2.614 20 30 FFEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000446693184 513315758 /nfs/dbraw/zinc/31/57/58/513315758.db2.gz MGLRQVZHVYWAQM-UHFFFAOYSA-N 1 2 365.780 2.975 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)cc1F ZINC000425201717 513450393 /nfs/dbraw/zinc/45/03/93/513450393.db2.gz ODAABGYBDIYCCS-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO C[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)Cn1cc[nH+]c1 ZINC000429908034 513495747 /nfs/dbraw/zinc/49/57/47/513495747.db2.gz ZGAPQZKZBMQUMU-INIZCTEOSA-N 1 2 362.437 2.726 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000425496688 513600915 /nfs/dbraw/zinc/60/09/15/513600915.db2.gz VPGODHROTVKXPD-OALUTQOASA-N 1 2 368.481 2.906 20 30 FFEDLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000451408244 513728444 /nfs/dbraw/zinc/72/84/44/513728444.db2.gz NHHDIDNVKJHCNC-JSGCOSHPSA-N 1 2 360.401 2.995 20 30 FFEDLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000451408244 513728448 /nfs/dbraw/zinc/72/84/48/513728448.db2.gz NHHDIDNVKJHCNC-JSGCOSHPSA-N 1 2 360.401 2.995 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)ccc1C#N ZINC000442881851 513801847 /nfs/dbraw/zinc/80/18/47/513801847.db2.gz OHTOUYJICVFMRA-UHFFFAOYSA-N 1 2 365.462 2.894 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000413834201 513838351 /nfs/dbraw/zinc/83/83/51/513838351.db2.gz LLTXDXVNMBBNBY-DFQSSKMNSA-N 1 2 357.498 2.678 20 30 FFEDLO Cc1cc(NC(=O)NCc2ccc(N(C)C)[nH+]c2)c(C#N)cc1N(C)C ZINC000436484238 513869457 /nfs/dbraw/zinc/86/94/57/513869457.db2.gz DJNORXVFSYYLRM-UHFFFAOYSA-N 1 2 352.442 2.715 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000416762455 513950233 /nfs/dbraw/zinc/95/02/33/513950233.db2.gz ISMCZCQJQOVCTO-UHFFFAOYSA-N 1 2 360.458 2.578 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCOC[C@@H]2c2ccc(F)cc2)cc1 ZINC000451789064 513981009 /nfs/dbraw/zinc/98/10/09/513981009.db2.gz PUVGMVVOLCOOSR-AZUAARDMSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@@H]2c2ccc(F)cc2)cc1 ZINC000451789064 513981019 /nfs/dbraw/zinc/98/10/19/513981019.db2.gz PUVGMVVOLCOOSR-AZUAARDMSA-N 1 2 356.397 2.511 20 30 FFEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431967430 514053133 /nfs/dbraw/zinc/05/31/33/514053133.db2.gz ZNFOGXPIBJJMDA-GOSISDBHSA-N 1 2 358.486 2.832 20 30 FFEDLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431967430 514053138 /nfs/dbraw/zinc/05/31/38/514053138.db2.gz ZNFOGXPIBJJMDA-GOSISDBHSA-N 1 2 358.486 2.832 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000432014947 514066627 /nfs/dbraw/zinc/06/66/27/514066627.db2.gz YTFQJXMDDVQLAD-UHFFFAOYSA-N 1 2 362.449 2.627 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000432014947 514066632 /nfs/dbraw/zinc/06/66/32/514066632.db2.gz YTFQJXMDDVQLAD-UHFFFAOYSA-N 1 2 362.449 2.627 20 30 FFEDLO C=CCC[C@H](C(=O)N1CCN(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000427097015 514115429 /nfs/dbraw/zinc/11/54/29/514115429.db2.gz NPWLHQXKEQZVDL-IBGZPJMESA-N 1 2 352.482 2.814 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)c2cc(F)ccc2C[NH2+]1 ZINC000420464996 514158650 /nfs/dbraw/zinc/15/86/50/514158650.db2.gz UYQGWQBJMVYYBN-CYBMUJFWSA-N 1 2 359.426 2.525 20 30 FFEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000437655626 514203869 /nfs/dbraw/zinc/20/38/69/514203869.db2.gz OJHVFRLRFBLACT-RTBURBONSA-N 1 2 354.454 2.712 20 30 FFEDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3cccc(F)c3C#N)CC2)C1 ZINC000428394601 514465615 /nfs/dbraw/zinc/46/56/15/514465615.db2.gz VVRPZCZEQSEJPD-WMZOPIPTSA-N 1 2 372.488 2.510 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000439108237 514494733 /nfs/dbraw/zinc/49/47/33/514494733.db2.gz RTCCYGBLJLGCPU-BTYIYWSLSA-N 1 2 365.477 2.934 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000439108237 514494739 /nfs/dbraw/zinc/49/47/39/514494739.db2.gz RTCCYGBLJLGCPU-BTYIYWSLSA-N 1 2 365.477 2.934 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](CC)Cc1ccccc1Br ZINC000439330992 514532932 /nfs/dbraw/zinc/53/29/32/514532932.db2.gz ZCUCCNYVJLCLLX-LBPRGKRZSA-N 1 2 368.275 2.671 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](CC)Cc1ccccc1Br ZINC000439330992 514532934 /nfs/dbraw/zinc/53/29/34/514532934.db2.gz ZCUCCNYVJLCLLX-LBPRGKRZSA-N 1 2 368.275 2.671 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450229946 514554805 /nfs/dbraw/zinc/55/48/05/514554805.db2.gz FHISCKTXBMCYFH-VZEFYGNVSA-N 1 2 352.837 2.932 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450229946 514554810 /nfs/dbraw/zinc/55/48/10/514554810.db2.gz FHISCKTXBMCYFH-VZEFYGNVSA-N 1 2 352.837 2.932 20 30 FFEDLO Cc1ccc([C@H](CNC(=O)NCC(C)(C)CCC#N)[NH+]2CCOCC2)cc1 ZINC000484338582 514636249 /nfs/dbraw/zinc/63/62/49/514636249.db2.gz JQAVLCUQMFHSSD-IBGZPJMESA-N 1 2 372.513 2.998 20 30 FFEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000484540226 514680162 /nfs/dbraw/zinc/68/01/62/514680162.db2.gz MYJHOOFPZDPGCO-KRWDZBQOSA-N 1 2 371.462 2.728 20 30 FFEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000484540226 514680172 /nfs/dbraw/zinc/68/01/72/514680172.db2.gz MYJHOOFPZDPGCO-KRWDZBQOSA-N 1 2 371.462 2.728 20 30 FFEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCO2 ZINC000470958952 514692816 /nfs/dbraw/zinc/69/28/16/514692816.db2.gz GGWHWUZYLWAXFF-WMLDXEAASA-N 1 2 355.356 2.817 20 30 FFEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCO2 ZINC000470958952 514692823 /nfs/dbraw/zinc/69/28/23/514692823.db2.gz GGWHWUZYLWAXFF-WMLDXEAASA-N 1 2 355.356 2.817 20 30 FFEDLO CC[N@H+](CCCNC(=O)C(=O)Nc1cccc(CC#N)c1)c1ccccc1 ZINC000453586359 514705484 /nfs/dbraw/zinc/70/54/84/514705484.db2.gz JLSXOWDTYRSYPB-UHFFFAOYSA-N 1 2 364.449 2.724 20 30 FFEDLO CC[N@@H+](CCCNC(=O)C(=O)Nc1cccc(CC#N)c1)c1ccccc1 ZINC000453586359 514705497 /nfs/dbraw/zinc/70/54/97/514705497.db2.gz JLSXOWDTYRSYPB-UHFFFAOYSA-N 1 2 364.449 2.724 20 30 FFEDLO N#CCCCOc1cccnc1NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000466613665 514708720 /nfs/dbraw/zinc/70/87/20/514708720.db2.gz ICZURHOFHCJRIB-UHFFFAOYSA-N 1 2 350.382 2.734 20 30 FFEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000470998050 514711209 /nfs/dbraw/zinc/71/12/09/514711209.db2.gz WXZXBOCPWRFTEK-SFHVURJKSA-N 1 2 360.889 2.535 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455807608 514749929 /nfs/dbraw/zinc/74/99/29/514749929.db2.gz YVDNMRZISPYGCW-CQSZACIVSA-N 1 2 360.458 2.578 20 30 FFEDLO CC[C@H]1C[N@H+](CCNC(=O)c2sc3ccc(C#N)cc3c2C)CCO1 ZINC000508577671 514826157 /nfs/dbraw/zinc/82/61/57/514826157.db2.gz IQYYVHGBIIABRR-HNNXBMFYSA-N 1 2 357.479 2.922 20 30 FFEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2sc3ccc(C#N)cc3c2C)CCO1 ZINC000508577671 514826162 /nfs/dbraw/zinc/82/61/62/514826162.db2.gz IQYYVHGBIIABRR-HNNXBMFYSA-N 1 2 357.479 2.922 20 30 FFEDLO N#CCc1cccc(NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000455917367 514832640 /nfs/dbraw/zinc/83/26/40/514832640.db2.gz JTWBUXHFAIABKU-HXUWFJFHSA-N 1 2 364.449 2.948 20 30 FFEDLO C=CCCCNC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000455948795 514857210 /nfs/dbraw/zinc/85/72/10/514857210.db2.gz CDXBXDDOSKPGED-UHFFFAOYSA-N 1 2 369.263 2.768 20 30 FFEDLO C=CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000508846586 514918061 /nfs/dbraw/zinc/91/80/61/514918061.db2.gz HHFFEGHLYIASRS-LJQANCHMSA-N 1 2 367.497 2.604 20 30 FFEDLO C=CCCCS(=O)(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000489867440 515005562 /nfs/dbraw/zinc/00/55/62/515005562.db2.gz WXZVYHOFDCZGAC-QGZVFWFLSA-N 1 2 366.527 2.887 20 30 FFEDLO C=CCCCS(=O)(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000489867440 515005566 /nfs/dbraw/zinc/00/55/66/515005566.db2.gz WXZVYHOFDCZGAC-QGZVFWFLSA-N 1 2 366.527 2.887 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3cccn3CCC(C)C)CC2)c1C#N ZINC000471799181 515014483 /nfs/dbraw/zinc/01/44/83/515014483.db2.gz PLTYRQYLPCPLGQ-UHFFFAOYSA-N 1 2 354.502 2.770 20 30 FFEDLO CCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490075727 515090849 /nfs/dbraw/zinc/09/08/49/515090849.db2.gz ZAECHAROWSVQJY-IERDGZPVSA-N 1 2 370.497 2.843 20 30 FFEDLO CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490075727 515090858 /nfs/dbraw/zinc/09/08/58/515090858.db2.gz ZAECHAROWSVQJY-IERDGZPVSA-N 1 2 370.497 2.843 20 30 FFEDLO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)c2[nH+]ccn21 ZINC000453984204 515094703 /nfs/dbraw/zinc/09/47/03/515094703.db2.gz TXHSASVSIKXVDL-CMPLNLGQSA-N 1 2 371.466 2.874 20 30 FFEDLO O=C(NCC#Cc1ccccc1)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000490111774 515110597 /nfs/dbraw/zinc/11/05/97/515110597.db2.gz DMWVHHUWGMKZLT-UHFFFAOYSA-N 1 2 371.396 2.980 20 30 FFEDLO CC(C)(CCC#N)CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000476839222 515213227 /nfs/dbraw/zinc/21/32/27/515213227.db2.gz CTPOGWVROFAQRZ-SFHVURJKSA-N 1 2 358.486 2.689 20 30 FFEDLO N#Cc1ccc(OCC[N@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)cc1 ZINC000468114925 515229987 /nfs/dbraw/zinc/22/99/87/515229987.db2.gz IPDFUDNITXBKPI-UHFFFAOYSA-N 1 2 369.852 2.935 20 30 FFEDLO N#Cc1ccc(OCC[N@@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)cc1 ZINC000468114925 515230000 /nfs/dbraw/zinc/23/00/00/515230000.db2.gz IPDFUDNITXBKPI-UHFFFAOYSA-N 1 2 369.852 2.935 20 30 FFEDLO Cn1cc(C[NH+]2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)cn1 ZINC000462822694 515259677 /nfs/dbraw/zinc/25/96/77/515259677.db2.gz WJHDSYDUUVJYLH-UHFFFAOYSA-N 1 2 366.856 2.816 20 30 FFEDLO C[C@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)c1ccc(C#N)cc1F ZINC000462947668 515311216 /nfs/dbraw/zinc/31/12/16/515311216.db2.gz XUASNOLRTFPDSE-AWEZNQCLSA-N 1 2 352.413 2.802 20 30 FFEDLO C[C@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)c1ccc(C#N)cc1F ZINC000462947668 515311225 /nfs/dbraw/zinc/31/12/25/515311225.db2.gz XUASNOLRTFPDSE-AWEZNQCLSA-N 1 2 352.413 2.802 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000509848581 515345340 /nfs/dbraw/zinc/34/53/40/515345340.db2.gz URJHZUPCDSBANW-UHFFFAOYSA-N 1 2 358.348 2.597 20 30 FFEDLO N#Cc1cccc(NC(=O)C[NH+]2CCN(c3cncc4ccccc43)CC2)c1 ZINC000472770102 515391114 /nfs/dbraw/zinc/39/11/14/515391114.db2.gz KRSOKDREAJGVLM-UHFFFAOYSA-N 1 2 371.444 2.867 20 30 FFEDLO COc1ncc(C)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000472837414 515416639 /nfs/dbraw/zinc/41/66/39/515416639.db2.gz JYLKBRAAYSQPNY-UHFFFAOYSA-N 1 2 365.437 2.620 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2[nH+]ccn2C)cc1 ZINC000491481370 515440964 /nfs/dbraw/zinc/44/09/64/515440964.db2.gz WOSSMEGGLQEHQD-UHFFFAOYSA-N 1 2 353.426 2.556 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000459366824 515502791 /nfs/dbraw/zinc/50/27/91/515502791.db2.gz DIFHBZUYLWBTTF-AWEZNQCLSA-N 1 2 352.398 2.842 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000459366824 515502802 /nfs/dbraw/zinc/50/28/02/515502802.db2.gz DIFHBZUYLWBTTF-AWEZNQCLSA-N 1 2 352.398 2.842 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cccc3ccccc32)C1=O ZINC000499937982 515524017 /nfs/dbraw/zinc/52/40/17/515524017.db2.gz INXNZWGRDXVECP-HNAYVOBHSA-N 1 2 351.450 2.886 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2cccc3ccccc32)C1=O ZINC000499937982 515524023 /nfs/dbraw/zinc/52/40/23/515524023.db2.gz INXNZWGRDXVECP-HNAYVOBHSA-N 1 2 351.450 2.886 20 30 FFEDLO C[C@H]1[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCOC1(C)C ZINC000477689275 515554957 /nfs/dbraw/zinc/55/49/57/515554957.db2.gz CTTYDCRCECEEEW-CQSZACIVSA-N 1 2 368.399 2.672 20 30 FFEDLO C[C@H]1[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCOC1(C)C ZINC000477689275 515554967 /nfs/dbraw/zinc/55/49/67/515554967.db2.gz CTTYDCRCECEEEW-CQSZACIVSA-N 1 2 368.399 2.672 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](CC(C)C)c2ccccc2)C1=O ZINC000500014164 515558790 /nfs/dbraw/zinc/55/87/90/515558790.db2.gz MTIRJKIBWNGGDP-OALUTQOASA-N 1 2 357.498 2.609 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](CC(C)C)c2ccccc2)C1=O ZINC000500014164 515558797 /nfs/dbraw/zinc/55/87/97/515558797.db2.gz MTIRJKIBWNGGDP-OALUTQOASA-N 1 2 357.498 2.609 20 30 FFEDLO COc1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000492755600 515559288 /nfs/dbraw/zinc/55/92/88/515559288.db2.gz DWYRQXDCMMSQSS-IBGZPJMESA-N 1 2 366.421 2.986 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccccc1Br ZINC000468881645 515563778 /nfs/dbraw/zinc/56/37/78/515563778.db2.gz HHZQTYIBWKMATE-LBPRGKRZSA-N 1 2 350.260 2.832 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccccc1Br ZINC000468881645 515563784 /nfs/dbraw/zinc/56/37/84/515563784.db2.gz HHZQTYIBWKMATE-LBPRGKRZSA-N 1 2 350.260 2.832 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000500028103 515565143 /nfs/dbraw/zinc/56/51/43/515565143.db2.gz WRYVEDGJSKAFBU-DOMZBBRYSA-N 1 2 369.387 2.751 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000500028103 515565153 /nfs/dbraw/zinc/56/51/53/515565153.db2.gz WRYVEDGJSKAFBU-DOMZBBRYSA-N 1 2 369.387 2.751 20 30 FFEDLO C=CCOc1cc(OC)ccc1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000463767683 515607606 /nfs/dbraw/zinc/60/76/06/515607606.db2.gz FOWZOKIKMUMJTA-UHFFFAOYSA-N 1 2 369.343 2.949 20 30 FFEDLO COC(=O)c1ccc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)s1 ZINC000459521260 515615449 /nfs/dbraw/zinc/61/54/49/515615449.db2.gz VVTPZZZBXRCUOH-UHFFFAOYSA-N 1 2 359.426 2.868 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000478014589 515668037 /nfs/dbraw/zinc/66/80/37/515668037.db2.gz HDPNUMYDWZFOFI-UHFFFAOYSA-N 1 2 358.417 2.529 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000473623600 515691715 /nfs/dbraw/zinc/69/17/15/515691715.db2.gz IQVKCBLEVFAXQX-INIZCTEOSA-N 1 2 366.259 2.942 20 30 FFEDLO N#Cc1cccc(-c2cc(C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)on2)c1 ZINC000469188074 515710390 /nfs/dbraw/zinc/71/03/90/515710390.db2.gz IGFZFEOQZHOGBB-KRWDZBQOSA-N 1 2 360.373 2.902 20 30 FFEDLO COc1cc(-c2noc(C[NH+]3CCC(C)(C#N)CC3)n2)cc(OC)c1OC ZINC000506055598 515763878 /nfs/dbraw/zinc/76/38/78/515763878.db2.gz FTDBDBPEDVFOAA-UHFFFAOYSA-N 1 2 372.425 2.888 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1C#N ZINC000494447834 515848053 /nfs/dbraw/zinc/84/80/53/515848053.db2.gz CFUFMUZKLZQBSI-GOSISDBHSA-N 1 2 370.497 2.877 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@@H](O)C3(CC3)C2)c1C#N ZINC000494447834 515848063 /nfs/dbraw/zinc/84/80/63/515848063.db2.gz CFUFMUZKLZQBSI-GOSISDBHSA-N 1 2 370.497 2.877 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000459874121 515864917 /nfs/dbraw/zinc/86/49/17/515864917.db2.gz YBRCGMPQUJOPCL-DOTOQJQBSA-N 1 2 372.494 2.569 20 30 FFEDLO CCC1(CC)C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)CCS1 ZINC000464581442 515882054 /nfs/dbraw/zinc/88/20/54/515882054.db2.gz GVTSFLBYAZRRRP-UHFFFAOYSA-N 1 2 352.525 2.940 20 30 FFEDLO CCC1(CC)C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)CCS1 ZINC000464581442 515882060 /nfs/dbraw/zinc/88/20/60/515882060.db2.gz GVTSFLBYAZRRRP-UHFFFAOYSA-N 1 2 352.525 2.940 20 30 FFEDLO CN(CC(=O)Nc1cccc(C#N)c1)Cc1[nH+]ccn1Cc1ccccc1 ZINC000464737282 515940251 /nfs/dbraw/zinc/94/02/51/515940251.db2.gz NIAMDVBDKKFNGN-UHFFFAOYSA-N 1 2 359.433 2.874 20 30 FFEDLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000464818896 515972259 /nfs/dbraw/zinc/97/22/59/515972259.db2.gz AADRTBVUNXNBKG-PKOBYXMFSA-N 1 2 369.465 2.941 20 30 FFEDLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000464818896 515972268 /nfs/dbraw/zinc/97/22/68/515972268.db2.gz AADRTBVUNXNBKG-PKOBYXMFSA-N 1 2 369.465 2.941 20 30 FFEDLO COc1ccc([C@H](NC(=O)NCC(C)(C)CC#N)c2[nH+]ccn2C)cc1 ZINC000457561620 515974510 /nfs/dbraw/zinc/97/45/10/515974510.db2.gz LXWHSPVCHNIKDM-INIZCTEOSA-N 1 2 355.442 2.757 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccccc1C#N ZINC000501189985 516011086 /nfs/dbraw/zinc/01/10/86/516011086.db2.gz YFIKFWSGIJMKDI-DLBZAZTESA-N 1 2 369.490 2.842 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccccc1C#N ZINC000501189985 516011094 /nfs/dbraw/zinc/01/10/94/516011094.db2.gz YFIKFWSGIJMKDI-DLBZAZTESA-N 1 2 369.490 2.842 20 30 FFEDLO N#Cc1ccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c(F)c1 ZINC000479041722 516035987 /nfs/dbraw/zinc/03/59/87/516035987.db2.gz PZBYNGNFIGJKQL-HNNXBMFYSA-N 1 2 362.202 2.776 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)CN1CCc2c([nH+]cn2-c2ccc(C)cc2)C1 ZINC000487960885 516052518 /nfs/dbraw/zinc/05/25/18/516052518.db2.gz VFSQRRSGBPMVHT-QGZVFWFLSA-N 1 2 365.481 2.547 20 30 FFEDLO COc1ccc(C[N@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)cc1OCCCC#N ZINC000483430070 516088458 /nfs/dbraw/zinc/08/84/58/516088458.db2.gz UGKMFQDCJIZJNY-UWQZQLALSA-N 1 2 350.484 2.719 20 30 FFEDLO COc1ccc(C[N@@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)cc1OCCCC#N ZINC000483430070 516088467 /nfs/dbraw/zinc/08/84/67/516088467.db2.gz UGKMFQDCJIZJNY-UWQZQLALSA-N 1 2 350.484 2.719 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](NC(=O)c1cccc(C#N)c1C)C1CCOCC1 ZINC000501397371 516090643 /nfs/dbraw/zinc/09/06/43/516090643.db2.gz RXZHGSSBEXDQEA-SFHVURJKSA-N 1 2 352.438 2.981 20 30 FFEDLO Cc1nc(N2CC[NH+]([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)ccc1C#N ZINC000488070451 516103245 /nfs/dbraw/zinc/10/32/45/516103245.db2.gz OVDNTDCEICHGMZ-HNNXBMFYSA-N 1 2 367.428 2.550 20 30 FFEDLO C[C@H](NC(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000507183207 516114835 /nfs/dbraw/zinc/11/48/35/516114835.db2.gz OHBQYAYWAVLZSC-INIZCTEOSA-N 1 2 366.440 2.697 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)NCCC2=CCCCC2)CC1 ZINC000507279806 516154150 /nfs/dbraw/zinc/15/41/50/516154150.db2.gz CILSJXQJMAQYHV-UHFFFAOYSA-N 1 2 352.482 2.687 20 30 FFEDLO C=CC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000470170838 516159878 /nfs/dbraw/zinc/15/98/78/516159878.db2.gz AWPFPCBKZBDTEA-OOXMNIKJSA-N 1 2 350.440 2.673 20 30 FFEDLO C=CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000470170838 516159885 /nfs/dbraw/zinc/15/98/85/516159885.db2.gz AWPFPCBKZBDTEA-OOXMNIKJSA-N 1 2 350.440 2.673 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000488219887 516161966 /nfs/dbraw/zinc/16/19/66/516161966.db2.gz PHZFCRMHYMBVJE-KRWDZBQOSA-N 1 2 360.502 2.763 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000488240164 516172596 /nfs/dbraw/zinc/17/25/96/516172596.db2.gz FMTUUFHYZNYJTQ-IAGOWNOFSA-N 1 2 372.513 2.786 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000488240165 516172892 /nfs/dbraw/zinc/17/28/92/516172892.db2.gz FMTUUFHYZNYJTQ-IRXDYDNUSA-N 1 2 372.513 2.786 20 30 FFEDLO O=C(NCC#Cc1cccc(F)c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000512189228 516189720 /nfs/dbraw/zinc/18/97/20/516189720.db2.gz ISKWFKJVSBWMHH-UHFFFAOYSA-N 1 2 369.415 2.844 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(=O)n2c(C)csc2n1 ZINC000512196530 516192293 /nfs/dbraw/zinc/19/22/93/516192293.db2.gz OFXIPLWCVIDINK-UHFFFAOYSA-N 1 2 359.451 2.728 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(=O)n2c(C)csc2n1 ZINC000512196530 516192303 /nfs/dbraw/zinc/19/23/03/516192303.db2.gz OFXIPLWCVIDINK-UHFFFAOYSA-N 1 2 359.451 2.728 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000512198686 516195215 /nfs/dbraw/zinc/19/52/15/516195215.db2.gz UHYGBEWJNCCBDM-HNNXBMFYSA-N 1 2 360.458 2.528 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000512198686 516195223 /nfs/dbraw/zinc/19/52/23/516195223.db2.gz UHYGBEWJNCCBDM-HNNXBMFYSA-N 1 2 360.458 2.528 20 30 FFEDLO N#Cc1ccnc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)c1 ZINC000496056956 516230999 /nfs/dbraw/zinc/23/09/99/516230999.db2.gz WJLXVOGNQVHFRP-UHFFFAOYSA-N 1 2 371.404 2.842 20 30 FFEDLO NC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000484094885 516296000 /nfs/dbraw/zinc/29/60/00/516296000.db2.gz HWDAIRSXRCLCAD-HXUWFJFHSA-N 1 2 367.880 2.536 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000488748916 516300200 /nfs/dbraw/zinc/30/02/00/516300200.db2.gz ICLVMPHJWFWMIF-DOTOQJQBSA-N 1 2 359.495 2.927 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000488748916 516300205 /nfs/dbraw/zinc/30/02/05/516300205.db2.gz ICLVMPHJWFWMIF-DOTOQJQBSA-N 1 2 359.495 2.927 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(Cl)c2ncccc12 ZINC000512681055 516320688 /nfs/dbraw/zinc/32/06/88/516320688.db2.gz SHYRVMXTFJKMRB-UHFFFAOYSA-N 1 2 372.856 2.576 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)CNc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497459391 516322878 /nfs/dbraw/zinc/32/28/78/516322878.db2.gz GATSKEJYOYTABM-UYAOXDASSA-N 1 2 370.403 2.810 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)CNc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497459391 516322879 /nfs/dbraw/zinc/32/28/79/516322879.db2.gz GATSKEJYOYTABM-UYAOXDASSA-N 1 2 370.403 2.810 20 30 FFEDLO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C)(C#N)CC3)C2=O)cc1Cl ZINC000543717043 516388319 /nfs/dbraw/zinc/38/83/19/516388319.db2.gz PFMWQCJXHWYOBL-AWEZNQCLSA-N 1 2 361.829 2.606 20 30 FFEDLO C=CC[N@@H+](Cc1nnc(C(C)C)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000557726388 516405492 /nfs/dbraw/zinc/40/54/92/516405492.db2.gz OURRCUGNDHVXHP-AWEZNQCLSA-N 1 2 353.430 2.918 20 30 FFEDLO C=CC[N@H+](Cc1nnc(C(C)C)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000557726388 516405502 /nfs/dbraw/zinc/40/55/02/516405502.db2.gz OURRCUGNDHVXHP-AWEZNQCLSA-N 1 2 353.430 2.918 20 30 FFEDLO C=CC[N@@H+](Cc1nnc(C(C)C)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000557726389 516405911 /nfs/dbraw/zinc/40/59/11/516405911.db2.gz OURRCUGNDHVXHP-CQSZACIVSA-N 1 2 353.430 2.918 20 30 FFEDLO C=CC[N@H+](Cc1nnc(C(C)C)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000557726389 516405917 /nfs/dbraw/zinc/40/59/17/516405917.db2.gz OURRCUGNDHVXHP-CQSZACIVSA-N 1 2 353.430 2.918 20 30 FFEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000528439944 516437532 /nfs/dbraw/zinc/43/75/32/516437532.db2.gz POCNDRNCTYVJEW-HXUWFJFHSA-N 1 2 357.404 2.840 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc([C@@H]4CCCO4)s3)CC2)nc1 ZINC000535782388 516506581 /nfs/dbraw/zinc/50/65/81/516506581.db2.gz ASLJYCGHIIPPIS-INIZCTEOSA-N 1 2 355.467 2.583 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000518194313 516572719 /nfs/dbraw/zinc/57/27/19/516572719.db2.gz HLCFYJYCXXQSFZ-SFHVURJKSA-N 1 2 360.845 2.888 20 30 FFEDLO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000531650090 516576580 /nfs/dbraw/zinc/57/65/80/516576580.db2.gz LEYSBGCDNHZPPE-LPHOPBHVSA-N 1 2 372.488 2.856 20 30 FFEDLO N#Cc1ccc(C2([NH2+]Cc3nc(-c4ccoc4)no3)CCOCC2)cc1 ZINC000528781185 516690768 /nfs/dbraw/zinc/69/07/68/516690768.db2.gz GXZWMQMBESGBPB-UHFFFAOYSA-N 1 2 350.378 2.997 20 30 FFEDLO N#Cc1cc(NC(=O)NCc2ccc(N)[nH+]c2)ccc1OC(F)(F)F ZINC000554982660 516731953 /nfs/dbraw/zinc/73/19/53/516731953.db2.gz VKVPUWMODNDWPQ-UHFFFAOYSA-N 1 2 351.288 2.586 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(C#N)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000528899251 516782569 /nfs/dbraw/zinc/78/25/69/516782569.db2.gz HTSNIPBMALYNFA-MJGOQNOKSA-N 1 2 372.831 2.850 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C#N)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000528899251 516782577 /nfs/dbraw/zinc/78/25/77/516782577.db2.gz HTSNIPBMALYNFA-MJGOQNOKSA-N 1 2 372.831 2.850 20 30 FFEDLO Cc1nc(NCc2cccc(C(=O)NCC#Cc3cccc(F)c3)c2)cc[nH+]1 ZINC000513921596 516801629 /nfs/dbraw/zinc/80/16/29/516801629.db2.gz FFJBPOVUICDTLG-UHFFFAOYSA-N 1 2 374.419 2.740 20 30 FFEDLO N#CCc1ccnc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000532180117 516845694 /nfs/dbraw/zinc/84/56/94/516845694.db2.gz GREYFAIOALHXQS-SFHVURJKSA-N 1 2 352.463 2.876 20 30 FFEDLO Cc1cc(NC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c(C)c[nH+]1 ZINC000529045048 516884145 /nfs/dbraw/zinc/88/41/45/516884145.db2.gz ZKZCOADHOKWUHT-UHFFFAOYSA-N 1 2 350.422 2.819 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541156653 516904301 /nfs/dbraw/zinc/90/43/01/516904301.db2.gz JXOBQBVNSSBSTM-OOVXXXAESA-N 1 2 354.376 2.698 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541156653 516904310 /nfs/dbraw/zinc/90/43/10/516904310.db2.gz JXOBQBVNSSBSTM-OOVXXXAESA-N 1 2 354.376 2.698 20 30 FFEDLO CN(CC1CCCCC1)C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000525275268 516990077 /nfs/dbraw/zinc/99/00/77/516990077.db2.gz FNUIGFZELUIIKX-UHFFFAOYSA-N 1 2 368.525 2.715 20 30 FFEDLO CN(CC1CCCCC1)C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000525275268 516990084 /nfs/dbraw/zinc/99/00/84/516990084.db2.gz FNUIGFZELUIIKX-UHFFFAOYSA-N 1 2 368.525 2.715 20 30 FFEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(N2CCCC2=O)c1 ZINC000537109150 517040353 /nfs/dbraw/zinc/04/03/53/517040353.db2.gz ZVYCJYGSOKHROW-XOBRGWDASA-N 1 2 362.433 2.562 20 30 FFEDLO N#Cc1cccc(NC(=O)C2CCN(c3cc(NC4CC4)[nH+]cn3)CC2)c1 ZINC000519587408 517062049 /nfs/dbraw/zinc/06/20/49/517062049.db2.gz CKDAIKYMKKFMJM-UHFFFAOYSA-N 1 2 362.437 2.778 20 30 FFEDLO N#Cc1cccc(NC(=O)C2CCN(c3cc(NC4CC4)nc[nH+]3)CC2)c1 ZINC000519587408 517062059 /nfs/dbraw/zinc/06/20/59/517062059.db2.gz CKDAIKYMKKFMJM-UHFFFAOYSA-N 1 2 362.437 2.778 20 30 FFEDLO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000514904281 517114972 /nfs/dbraw/zinc/11/49/72/517114972.db2.gz RFLOOCYDVHQTAU-OAHLLOKOSA-N 1 2 360.421 2.886 20 30 FFEDLO CCN1CCN(C(=O)Nc2ccc(C#N)cc2Cl)C[C@@H]1c1[nH]cc[nH+]1 ZINC000548670678 517130669 /nfs/dbraw/zinc/13/06/69/517130669.db2.gz PASHJYPFIQCTKO-OAHLLOKOSA-N 1 2 358.833 2.845 20 30 FFEDLO Cc1cc(Br)cn2cc(CCNc3ccc(C#N)cn3)[nH+]c12 ZINC000545345263 517189671 /nfs/dbraw/zinc/18/96/71/517189671.db2.gz PVSZMPGXPIWENE-UHFFFAOYSA-N 1 2 356.227 2.748 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000532970143 517230325 /nfs/dbraw/zinc/23/03/25/517230325.db2.gz WDEFDSOXFXVTRJ-SWLSCSKDSA-N 1 2 355.360 2.929 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000532970143 517230333 /nfs/dbraw/zinc/23/03/33/517230333.db2.gz WDEFDSOXFXVTRJ-SWLSCSKDSA-N 1 2 355.360 2.929 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)n1 ZINC000545506425 517272153 /nfs/dbraw/zinc/27/21/53/517272153.db2.gz DYZDRZMHLXTPFK-UHFFFAOYSA-N 1 2 351.435 2.992 20 30 FFEDLO N#Cc1ccc2[nH+]cc(CNc3cccc(N4CCC(C(N)=O)CC4)c3)n2c1 ZINC000537729519 517313018 /nfs/dbraw/zinc/31/30/18/517313018.db2.gz GPBZSOYVNBBDDM-UHFFFAOYSA-N 1 2 374.448 2.520 20 30 FFEDLO Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000533237883 517358947 /nfs/dbraw/zinc/35/89/47/517358947.db2.gz ZFDJSTBAQGQKGF-UHFFFAOYSA-N 1 2 362.477 2.931 20 30 FFEDLO Cc1ccnc(OC2CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000542048748 517358933 /nfs/dbraw/zinc/35/89/33/517358933.db2.gz BJQKYJUCODVJOR-UHFFFAOYSA-N 1 2 350.422 2.744 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000533430911 517463164 /nfs/dbraw/zinc/46/31/64/517463164.db2.gz FZNHKHUPMZNUCO-IEBWSBKVSA-N 1 2 365.408 2.819 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000533430911 517463169 /nfs/dbraw/zinc/46/31/69/517463169.db2.gz FZNHKHUPMZNUCO-IEBWSBKVSA-N 1 2 365.408 2.819 20 30 FFEDLO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1c(F)cccc1F ZINC000538129334 517475313 /nfs/dbraw/zinc/47/53/13/517475313.db2.gz JQOFFGLRMALXBB-GFCCVEGCSA-N 1 2 350.390 2.961 20 30 FFEDLO C=CCc1cc(CNC(=O)N(C)Cc2[nH+]ccn2C)cc(OC)c1OC ZINC000538211856 517507170 /nfs/dbraw/zinc/50/71/70/517507170.db2.gz ZWWCXZVVJWTVOF-UHFFFAOYSA-N 1 2 358.442 2.507 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000538368302 517588441 /nfs/dbraw/zinc/58/84/41/517588441.db2.gz BBZXKQZSADRPGK-UYAOXDASSA-N 1 2 359.514 2.974 20 30 FFEDLO C=CC[N@@H+](Cc1nnc(C(C)C)n1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000553277585 517620281 /nfs/dbraw/zinc/62/02/81/517620281.db2.gz QAWLAFFCDDDYFN-OAHLLOKOSA-N 1 2 366.473 2.663 20 30 FFEDLO C=CC[N@H+](Cc1nnc(C(C)C)n1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000553277585 517620288 /nfs/dbraw/zinc/62/02/88/517620288.db2.gz QAWLAFFCDDDYFN-OAHLLOKOSA-N 1 2 366.473 2.663 20 30 FFEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000530299779 517691012 /nfs/dbraw/zinc/69/10/12/517691012.db2.gz DOFRRJGNLMXNBD-AWEZNQCLSA-N 1 2 352.316 2.632 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000563153909 517698170 /nfs/dbraw/zinc/69/81/70/517698170.db2.gz GMGHRPHSKWYOCT-AEFFLSMTSA-N 1 2 367.453 2.545 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000563153909 517698181 /nfs/dbraw/zinc/69/81/81/517698181.db2.gz GMGHRPHSKWYOCT-AEFFLSMTSA-N 1 2 367.453 2.545 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)c1C#N ZINC000530361057 517728069 /nfs/dbraw/zinc/72/80/69/517728069.db2.gz KBHKFRTUFCWOLB-UHFFFAOYSA-N 1 2 362.437 2.577 20 30 FFEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)Cc1noc(C)c1C#N ZINC000542785761 517739815 /nfs/dbraw/zinc/73/98/15/517739815.db2.gz DLOGYMCTMGPCPW-HNNXBMFYSA-N 1 2 363.421 2.747 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000550044018 517835072 /nfs/dbraw/zinc/83/50/72/517835072.db2.gz DQFPWVVYQJLFNI-RHSMWYFYSA-N 1 2 365.905 2.920 20 30 FFEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000563367502 517853430 /nfs/dbraw/zinc/85/34/30/517853430.db2.gz OZIGCOMMMMRDSM-ZYHUDNBSSA-N 1 2 368.359 2.661 20 30 FFEDLO C=CCCS(=O)(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542984315 517853448 /nfs/dbraw/zinc/85/34/48/517853448.db2.gz KYZRIXWYRWJCNF-ZBFHGGJFSA-N 1 2 362.417 2.735 20 30 FFEDLO C=CCCS(=O)(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542984315 517853452 /nfs/dbraw/zinc/85/34/52/517853452.db2.gz KYZRIXWYRWJCNF-ZBFHGGJFSA-N 1 2 362.417 2.735 20 30 FFEDLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000546809323 517866367 /nfs/dbraw/zinc/86/63/67/517866367.db2.gz IMEVWXYPGSFXTP-BDAKNGLRSA-N 1 2 361.496 2.946 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543021755 517868336 /nfs/dbraw/zinc/86/83/36/517868336.db2.gz PLDWMWSIHNNWFM-CRAIPNDOSA-N 1 2 374.366 2.936 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543021755 517868346 /nfs/dbraw/zinc/86/83/46/517868346.db2.gz PLDWMWSIHNNWFM-CRAIPNDOSA-N 1 2 374.366 2.936 20 30 FFEDLO C=C(C)[C@@H](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)OCC ZINC000534401413 517880567 /nfs/dbraw/zinc/88/05/67/517880567.db2.gz KOSIOQQDMXSDOM-SOLBZPMBSA-N 1 2 361.486 2.683 20 30 FFEDLO C=C(C)[C@@H](CC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1)OCC ZINC000534403444 517882902 /nfs/dbraw/zinc/88/29/02/517882902.db2.gz YFNXSNDJWCLMRP-WOJBJXKFSA-N 1 2 360.498 2.856 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(Cl)cc4c3OCC4)CC2)c1 ZINC000543059102 517888589 /nfs/dbraw/zinc/88/85/89/517888589.db2.gz PJHPJPXDWRKNDI-UHFFFAOYSA-N 1 2 354.841 2.864 20 30 FFEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000563484196 517929924 /nfs/dbraw/zinc/92/99/24/517929924.db2.gz UWFVMKPSNCWZTN-UHFFFAOYSA-N 1 2 366.377 2.690 20 30 FFEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000563484196 517929929 /nfs/dbraw/zinc/92/99/29/517929929.db2.gz UWFVMKPSNCWZTN-UHFFFAOYSA-N 1 2 366.377 2.690 20 30 FFEDLO N#Cc1cc(Oc2ccc(NC(=O)NCc3ccc(N)[nH+]c3)cc2)ccn1 ZINC000563655719 518049662 /nfs/dbraw/zinc/04/96/62/518049662.db2.gz JGPSQWFKGGLTKE-UHFFFAOYSA-N 1 2 360.377 2.875 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccn(-c4ccc(F)cc4)n3)C2)nc1 ZINC000517212292 518064442 /nfs/dbraw/zinc/06/44/42/518064442.db2.gz JYGRCWNUGIHITR-LJQANCHMSA-N 1 2 363.396 2.931 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccn(-c4ccc(F)cc4)n3)C2)nc1 ZINC000517212292 518064449 /nfs/dbraw/zinc/06/44/49/518064449.db2.gz JYGRCWNUGIHITR-LJQANCHMSA-N 1 2 363.396 2.931 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000563767937 518114817 /nfs/dbraw/zinc/11/48/17/518114817.db2.gz BZUPRXYNEGKFIG-SWLSCSKDSA-N 1 2 372.375 2.712 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000563767937 518114823 /nfs/dbraw/zinc/11/48/23/518114823.db2.gz BZUPRXYNEGKFIG-SWLSCSKDSA-N 1 2 372.375 2.712 20 30 FFEDLO CN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000539776619 518158921 /nfs/dbraw/zinc/15/89/21/518158921.db2.gz LRBHPQBRIMMXSO-UHFFFAOYSA-N 1 2 366.446 2.624 20 30 FFEDLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@H]1c1cccc(F)c1 ZINC000566821579 518217142 /nfs/dbraw/zinc/21/71/42/518217142.db2.gz SJIVBVCRQMRTOV-IFXJQAMLSA-N 1 2 373.453 2.949 20 30 FFEDLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@H]1c1cccc(F)c1 ZINC000566821579 518217153 /nfs/dbraw/zinc/21/71/53/518217153.db2.gz SJIVBVCRQMRTOV-IFXJQAMLSA-N 1 2 373.453 2.949 20 30 FFEDLO Cc1occc1C(=O)Nc1cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc1F ZINC000569837700 518318195 /nfs/dbraw/zinc/31/81/95/518318195.db2.gz VOPXHTQVFACHDJ-OAHLLOKOSA-N 1 2 374.416 2.598 20 30 FFEDLO Cc1occc1C(=O)Nc1cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc1F ZINC000569837700 518318199 /nfs/dbraw/zinc/31/81/99/518318199.db2.gz VOPXHTQVFACHDJ-OAHLLOKOSA-N 1 2 374.416 2.598 20 30 FFEDLO Cc1cc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c(C#N)cc1N(C)C ZINC000584458851 518352722 /nfs/dbraw/zinc/35/27/22/518352722.db2.gz PXAUUGVZCHZPLN-MRXNPFEDSA-N 1 2 352.442 2.826 20 30 FFEDLO N#Cc1ccc(NC(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)nc1 ZINC000575940856 518353853 /nfs/dbraw/zinc/35/38/53/518353853.db2.gz PXZGIVPZDNZICC-UHFFFAOYSA-N 1 2 359.345 2.718 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000572955299 518438170 /nfs/dbraw/zinc/43/81/70/518438170.db2.gz VSJOVCVOKKWGII-KSSFIOAISA-N 1 2 363.889 2.588 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000572955299 518438177 /nfs/dbraw/zinc/43/81/77/518438177.db2.gz VSJOVCVOKKWGII-KSSFIOAISA-N 1 2 363.889 2.588 20 30 FFEDLO N#Cc1csc(C[NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)n1 ZINC000581853683 518468147 /nfs/dbraw/zinc/46/81/47/518468147.db2.gz PZPVOWXHVVRTAT-ZDUSSCGKSA-N 1 2 350.806 2.702 20 30 FFEDLO CCCCc1[nH]c2ccc(NS(=O)(=O)c3cncc(C#N)c3)cc2[nH+]1 ZINC000582034998 518553901 /nfs/dbraw/zinc/55/39/01/518553901.db2.gz CJYLATIQRMQRQF-UHFFFAOYSA-N 1 2 355.423 2.973 20 30 FFEDLO C[N@@H+](Cc1nc(C#N)cs1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000573313088 518605285 /nfs/dbraw/zinc/60/52/85/518605285.db2.gz ASPMRQOIJCBMCZ-LBPRGKRZSA-N 1 2 371.384 2.905 20 30 FFEDLO C[N@H+](Cc1nc(C#N)cs1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000573313088 518605289 /nfs/dbraw/zinc/60/52/89/518605289.db2.gz ASPMRQOIJCBMCZ-LBPRGKRZSA-N 1 2 371.384 2.905 20 30 FFEDLO C=CCCn1cc(-c2nc(-c3ccc(C)[nH+]c3N3CCCC3)no2)nn1 ZINC000570442898 518609049 /nfs/dbraw/zinc/60/90/49/518609049.db2.gz YBCMGISQOSQKFS-UHFFFAOYSA-N 1 2 351.414 2.875 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000573516176 518703069 /nfs/dbraw/zinc/70/30/69/518703069.db2.gz ABYODAGTZDXJBR-CQSZACIVSA-N 1 2 369.856 2.756 20 30 FFEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000588300850 518771755 /nfs/dbraw/zinc/77/17/55/518771755.db2.gz ZPGWNGCJQVPFRZ-UHFFFAOYSA-N 1 2 366.425 2.790 20 30 FFEDLO N#Cc1cc(N2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)ncn1 ZINC000579667632 518790504 /nfs/dbraw/zinc/79/05/04/518790504.db2.gz ZGPCQKQDCKPDOV-UHFFFAOYSA-N 1 2 362.462 2.794 20 30 FFEDLO Cc1ccc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)c(Cl)c1 ZINC000570866327 518817753 /nfs/dbraw/zinc/81/77/53/518817753.db2.gz GLJDHBUDXNAEQL-UHFFFAOYSA-N 1 2 357.841 2.562 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(CSC2CCOCC2)c1 ZINC000573794806 518839722 /nfs/dbraw/zinc/83/97/22/518839722.db2.gz FBBSZDQCIFOPKI-SFHVURJKSA-N 1 2 363.527 2.717 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(CSC2CCOCC2)c1 ZINC000573794806 518839726 /nfs/dbraw/zinc/83/97/26/518839726.db2.gz FBBSZDQCIFOPKI-SFHVURJKSA-N 1 2 363.527 2.717 20 30 FFEDLO COc1cc(CNC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)ccc1C#N ZINC000565196738 518839916 /nfs/dbraw/zinc/83/99/16/518839916.db2.gz QVSIYZPAKGNEED-CYBMUJFWSA-N 1 2 366.343 2.653 20 30 FFEDLO Cc1cnn([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)c1 ZINC000589309578 518978051 /nfs/dbraw/zinc/97/80/51/518978051.db2.gz VTSHTVGSHCQLKG-KBPBESRZSA-N 1 2 369.494 2.887 20 30 FFEDLO Cc1cnn([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)c1 ZINC000589309578 518978055 /nfs/dbraw/zinc/97/80/55/518978055.db2.gz VTSHTVGSHCQLKG-KBPBESRZSA-N 1 2 369.494 2.887 20 30 FFEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@](F)(c4ccccc4)C3)C2=O)cc1 ZINC000574101916 518988400 /nfs/dbraw/zinc/98/84/00/518988400.db2.gz WXZLHRIWSRFROH-GHTZIAJQSA-N 1 2 363.392 2.761 20 30 FFEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@](F)(c4ccccc4)C3)C2=O)cc1 ZINC000574101916 518988403 /nfs/dbraw/zinc/98/84/03/518988403.db2.gz WXZLHRIWSRFROH-GHTZIAJQSA-N 1 2 363.392 2.761 20 30 FFEDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2ccc(C3(C#N)CC3)cc2)cn1 ZINC000580117809 519014863 /nfs/dbraw/zinc/01/48/63/519014863.db2.gz VWFPIASZTDDESZ-UHFFFAOYSA-N 1 2 374.448 2.514 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000571428643 519091828 /nfs/dbraw/zinc/09/18/28/519091828.db2.gz ZPZUOLVIIUCJNG-LPHOPBHVSA-N 1 2 364.486 2.566 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000571428643 519091836 /nfs/dbraw/zinc/09/18/36/519091836.db2.gz ZPZUOLVIIUCJNG-LPHOPBHVSA-N 1 2 364.486 2.566 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000574598428 519234472 /nfs/dbraw/zinc/23/44/72/519234472.db2.gz GUPIWDNPLFWXNP-MLGOLLRUSA-N 1 2 361.511 2.918 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000574598428 519234478 /nfs/dbraw/zinc/23/44/78/519234478.db2.gz GUPIWDNPLFWXNP-MLGOLLRUSA-N 1 2 361.511 2.918 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)c(C#N)c1C ZINC000580700871 519310968 /nfs/dbraw/zinc/31/09/68/519310968.db2.gz JAFZDGHCNCNQIE-OAHLLOKOSA-N 1 2 374.510 2.652 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](N3CCCC3=O)CC2)c(C#N)c1C ZINC000580700871 519310969 /nfs/dbraw/zinc/31/09/69/519310969.db2.gz JAFZDGHCNCNQIE-OAHLLOKOSA-N 1 2 374.510 2.652 20 30 FFEDLO CC(C)C1(c2ccccc2)C[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000571861666 519314320 /nfs/dbraw/zinc/31/43/20/519314320.db2.gz HFAWZHNLOMVQPC-UHFFFAOYSA-N 1 2 369.490 2.637 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCOC[C@@H]2c2ccc(F)cc2)cc1 ZINC000590761608 519355894 /nfs/dbraw/zinc/35/58/94/519355894.db2.gz FPKWZZJYBZJXPM-PZJWPPBQSA-N 1 2 370.424 2.705 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@@H]2c2ccc(F)cc2)cc1 ZINC000590761608 519355900 /nfs/dbraw/zinc/35/59/00/519355900.db2.gz FPKWZZJYBZJXPM-PZJWPPBQSA-N 1 2 370.424 2.705 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000578016686 519373374 /nfs/dbraw/zinc/37/33/74/519373374.db2.gz HQCMHNUHMMQAEH-IOASZLSFSA-N 1 2 355.360 2.649 20 30 FFEDLO CN(C(=O)c1cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1)c1ccccc1 ZINC000569106458 519381512 /nfs/dbraw/zinc/38/15/12/519381512.db2.gz IQUWJJCSZZEVAH-OAQYLSRUSA-N 1 2 364.449 2.537 20 30 FFEDLO C[C@@H](C(=O)NCCc1ccccc1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000580963800 519452192 /nfs/dbraw/zinc/45/21/92/519452192.db2.gz AQKHUIWVQMJILT-SFHVURJKSA-N 1 2 362.477 2.686 20 30 FFEDLO COCCOc1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1 ZINC000572330317 519555985 /nfs/dbraw/zinc/55/59/85/519555985.db2.gz KNMMKRPZDQFMEV-UHFFFAOYSA-N 1 2 372.494 2.671 20 30 FFEDLO CC1(C)C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)Cc2ccccc21 ZINC000578396395 519570882 /nfs/dbraw/zinc/57/08/82/519570882.db2.gz MGKHZBQLKWTZBJ-UHFFFAOYSA-N 1 2 355.463 2.520 20 30 FFEDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)Cc2ccccc21 ZINC000578396395 519570890 /nfs/dbraw/zinc/57/08/90/519570890.db2.gz MGKHZBQLKWTZBJ-UHFFFAOYSA-N 1 2 355.463 2.520 20 30 FFEDLO C=CCN1CC[C@@H](N(C)C(=O)CCn2c(CCC)[nH+]c3ccccc32)C1=O ZINC000572449940 519614940 /nfs/dbraw/zinc/61/49/40/519614940.db2.gz KBIVYTVJYBBQRL-GOSISDBHSA-N 1 2 368.481 2.624 20 30 FFEDLO C[C@H](NC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1)c1cccc2ccccc21 ZINC000602855304 519926855 /nfs/dbraw/zinc/92/68/55/519926855.db2.gz GHXCTRXZRDRMSO-KURKYZTESA-N 1 2 364.493 2.935 20 30 FFEDLO CCOc1ccc(-c2noc(C[NH+]3C[C@@H](C)N(CC#N)[C@H](C)C3)n2)cc1 ZINC000602856555 519928567 /nfs/dbraw/zinc/92/85/67/519928567.db2.gz KPZWTZUHPVBWPT-HUUCEWRRSA-N 1 2 355.442 2.553 20 30 FFEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H](C)CC#N)c1C#N ZINC000602869531 519938589 /nfs/dbraw/zinc/93/85/89/519938589.db2.gz OKBYYFFBMPBINV-ZDUSSCGKSA-N 1 2 367.428 2.994 20 30 FFEDLO CCCN(C)c1ccccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000599925252 519954434 /nfs/dbraw/zinc/95/44/34/519954434.db2.gz VAPWDXRIYWNWBX-UHFFFAOYSA-N 1 2 373.501 2.613 20 30 FFEDLO CCn1nc(C)c(C[N@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)c1C ZINC000602924566 519974071 /nfs/dbraw/zinc/97/40/71/519974071.db2.gz FPNQKZMIKFZFBH-INIZCTEOSA-N 1 2 357.483 2.690 20 30 FFEDLO CCn1nc(C)c(C[N@@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)c1C ZINC000602924566 519974075 /nfs/dbraw/zinc/97/40/75/519974075.db2.gz FPNQKZMIKFZFBH-INIZCTEOSA-N 1 2 357.483 2.690 20 30 FFEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000591821714 520052332 /nfs/dbraw/zinc/05/23/32/520052332.db2.gz YDDXSWRRKTYMDF-RTBURBONSA-N 1 2 365.481 2.624 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cn(-c3ccc(F)cc3)nn2)CC1 ZINC000600157917 520089066 /nfs/dbraw/zinc/08/90/66/520089066.db2.gz CHCPRWRTCCIPPM-UHFFFAOYSA-N 1 2 362.412 2.859 20 30 FFEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccnc(C#N)c3)CC2)c1 ZINC000603131530 520097124 /nfs/dbraw/zinc/09/71/24/520097124.db2.gz PRRHMZOVDJOHOY-OAHLLOKOSA-N 1 2 365.437 2.873 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000594767473 520146406 /nfs/dbraw/zinc/14/64/06/520146406.db2.gz LDJJYNWFJFGFCT-CHWSQXEVSA-N 1 2 363.508 2.795 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000594767473 520146412 /nfs/dbraw/zinc/14/64/12/520146412.db2.gz LDJJYNWFJFGFCT-CHWSQXEVSA-N 1 2 363.508 2.795 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)[C@H]3CCc4[nH+]c[nH]c4C3)CC2)c(F)c1 ZINC000597645085 520153463 /nfs/dbraw/zinc/15/34/63/520153463.db2.gz RGEJGFFACWPADQ-AWEZNQCLSA-N 1 2 368.412 2.595 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)[C@H]3CCc4[nH]c[nH+]c4C3)CC2)c(F)c1 ZINC000597645085 520153471 /nfs/dbraw/zinc/15/34/71/520153471.db2.gz RGEJGFFACWPADQ-AWEZNQCLSA-N 1 2 368.412 2.595 20 30 FFEDLO CC(C)(C#N)CCCn1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000603259907 520186043 /nfs/dbraw/zinc/18/60/43/520186043.db2.gz LNTWFAHLZLUKIJ-UHFFFAOYSA-N 1 2 352.486 2.930 20 30 FFEDLO C[C@H]1CN(Cc2ccncc2C#N)C(C)(C)C[N@@H+]1Cc1ccncc1C#N ZINC000592121682 520197227 /nfs/dbraw/zinc/19/72/27/520197227.db2.gz AQASXFMXXURJEM-INIZCTEOSA-N 1 2 360.465 2.705 20 30 FFEDLO C[C@H]1CN(Cc2ccncc2C#N)C(C)(C)C[N@H+]1Cc1ccncc1C#N ZINC000592121682 520197240 /nfs/dbraw/zinc/19/72/40/520197240.db2.gz AQASXFMXXURJEM-INIZCTEOSA-N 1 2 360.465 2.705 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNc3c(C#N)cnn3-c3ccccc3)c[nH+]2)CCO1 ZINC000603284957 520197100 /nfs/dbraw/zinc/19/71/00/520197100.db2.gz XBJHWFVPEANRRW-MRXNPFEDSA-N 1 2 374.448 2.976 20 30 FFEDLO C[C@H]1C[N@H+](Cc2ccncc2C#N)C(C)(C)CN1Cc1ccncc1C#N ZINC000592121682 520197247 /nfs/dbraw/zinc/19/72/47/520197247.db2.gz AQASXFMXXURJEM-INIZCTEOSA-N 1 2 360.465 2.705 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2ccncc2C#N)C(C)(C)CN1Cc1ccncc1C#N ZINC000592121682 520197254 /nfs/dbraw/zinc/19/72/54/520197254.db2.gz AQASXFMXXURJEM-INIZCTEOSA-N 1 2 360.465 2.705 20 30 FFEDLO Cc1ccc([C@@H](NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c2cccs2)cc1 ZINC000592146703 520223436 /nfs/dbraw/zinc/22/34/36/520223436.db2.gz FHELNHUHLBDJNP-WOJBJXKFSA-N 1 2 369.490 2.613 20 30 FFEDLO Cc1ccc([C@@H](NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c2cccs2)cc1 ZINC000592146703 520223444 /nfs/dbraw/zinc/22/34/44/520223444.db2.gz FHELNHUHLBDJNP-WOJBJXKFSA-N 1 2 369.490 2.613 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000592147731 520223736 /nfs/dbraw/zinc/22/37/36/520223736.db2.gz NZCVCOZQVVIWKS-AWEZNQCLSA-N 1 2 359.651 2.832 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000592147731 520223740 /nfs/dbraw/zinc/22/37/40/520223740.db2.gz NZCVCOZQVVIWKS-AWEZNQCLSA-N 1 2 359.651 2.832 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000592149450 520226079 /nfs/dbraw/zinc/22/60/79/520226079.db2.gz PJEAHUFIFRJJDT-FQEVSTJZSA-N 1 2 351.406 2.768 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000592149450 520226086 /nfs/dbraw/zinc/22/60/86/520226086.db2.gz PJEAHUFIFRJJDT-FQEVSTJZSA-N 1 2 351.406 2.768 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cccc(Br)c2OC(F)F)C1 ZINC000592152042 520229509 /nfs/dbraw/zinc/22/95/09/520229509.db2.gz UBISHBQAQCOFNZ-CQSZACIVSA-N 1 2 361.186 2.901 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cccc(Br)c2OC(F)F)C1 ZINC000592152042 520229519 /nfs/dbraw/zinc/22/95/19/520229519.db2.gz UBISHBQAQCOFNZ-CQSZACIVSA-N 1 2 361.186 2.901 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)Nc2cccc3ncccc32)CC1 ZINC000609485959 520328604 /nfs/dbraw/zinc/32/86/04/520328604.db2.gz AQXAFHGVCZWLEC-UZLBHIALSA-N 1 2 365.481 2.728 20 30 FFEDLO C[C@@H]1C[N@H+](CCNC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@@H](C)CO1 ZINC000597999166 520367506 /nfs/dbraw/zinc/36/75/06/520367506.db2.gz QUGLIEZRMGLFBA-WDEREUQCSA-N 1 2 356.253 2.704 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@@H](C)CO1 ZINC000597999166 520367511 /nfs/dbraw/zinc/36/75/11/520367511.db2.gz QUGLIEZRMGLFBA-WDEREUQCSA-N 1 2 356.253 2.704 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000604047540 520436449 /nfs/dbraw/zinc/43/64/49/520436449.db2.gz IUNNHSASNJZLCL-UONOGXRCSA-N 1 2 361.408 2.761 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000604047540 520436453 /nfs/dbraw/zinc/43/64/53/520436453.db2.gz IUNNHSASNJZLCL-UONOGXRCSA-N 1 2 361.408 2.761 20 30 FFEDLO C=CCC1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCOCC1 ZINC000598177974 520471859 /nfs/dbraw/zinc/47/18/59/520471859.db2.gz NFIWTBQJDICHLV-UHFFFAOYSA-N 1 2 356.382 2.636 20 30 FFEDLO C[C@@H]1C[N@@H+](CCN2CCC(Oc3ccc(C#N)cc3F)CC2)C[C@H](C)O1 ZINC000595483196 520500309 /nfs/dbraw/zinc/50/03/09/520500309.db2.gz JVZKBBHOARMJOK-IYBDPMFKSA-N 1 2 361.461 2.650 20 30 FFEDLO C[C@@H]1C[N@H+](CCN2CCC(Oc3ccc(C#N)cc3F)CC2)C[C@H](C)O1 ZINC000595483196 520500318 /nfs/dbraw/zinc/50/03/18/520500318.db2.gz JVZKBBHOARMJOK-IYBDPMFKSA-N 1 2 361.461 2.650 20 30 FFEDLO CC(C)(C)c1nc[nH]c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000600945418 520550874 /nfs/dbraw/zinc/55/08/74/520550874.db2.gz JIBRYYDXVRHWOY-UHFFFAOYSA-N 1 2 351.454 2.537 20 30 FFEDLO C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632375 520608914 /nfs/dbraw/zinc/60/89/14/520608914.db2.gz OCNSGBALPBPMOU-MRXNPFEDSA-N 1 2 368.506 2.789 20 30 FFEDLO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633096 520610908 /nfs/dbraw/zinc/61/09/08/520610908.db2.gz LYSKDRZXTXWLEO-XHSDSOJGSA-N 1 2 360.527 2.920 20 30 FFEDLO C=CC1CCN(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000601103644 520635978 /nfs/dbraw/zinc/63/59/78/520635978.db2.gz GOSRLYGUNVUGNW-UHFFFAOYSA-N 1 2 356.470 2.504 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000593041290 520702661 /nfs/dbraw/zinc/70/26/61/520702661.db2.gz PUSAZBASMFTLOT-HXUWFJFHSA-N 1 2 361.445 2.772 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000593041290 520702673 /nfs/dbraw/zinc/70/26/73/520702673.db2.gz PUSAZBASMFTLOT-HXUWFJFHSA-N 1 2 361.445 2.772 20 30 FFEDLO Cc1nccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1Cl ZINC000613856908 520704862 /nfs/dbraw/zinc/70/48/62/520704862.db2.gz AUNKXEYNOKIVEM-UHFFFAOYSA-N 1 2 369.856 2.687 20 30 FFEDLO COc1cccc([C@@H](NC(=O)Cc2cccc(C#N)c2)c2[nH+]ccn2C)c1 ZINC000610519221 520725957 /nfs/dbraw/zinc/72/59/57/520725957.db2.gz JJYUTZLIWYKWGE-HXUWFJFHSA-N 1 2 360.417 2.749 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCOC(C3CC3)(C3CC3)C2)C1=O ZINC000595821332 520744887 /nfs/dbraw/zinc/74/48/87/520744887.db2.gz DIFKPFMPMLDLPW-INIZCTEOSA-N 1 2 357.479 2.616 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCOC(C3CC3)(C3CC3)C2)C1=O ZINC000595821332 520744891 /nfs/dbraw/zinc/74/48/91/520744891.db2.gz DIFKPFMPMLDLPW-INIZCTEOSA-N 1 2 357.479 2.616 20 30 FFEDLO C[C@H]([NH2+][C@H](CO)c1cccc(Cl)c1Cl)C(=O)NC1(C#N)CCC1 ZINC000595828052 520751634 /nfs/dbraw/zinc/75/16/34/520751634.db2.gz HSLBKLJWXHVOTL-GXFFZTMASA-N 1 2 356.253 2.567 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H](Oc3ccccc3)C2)C1=O ZINC000595831428 520756206 /nfs/dbraw/zinc/75/62/06/520756206.db2.gz NMHGUAAGFHTXCQ-SJORKVTESA-N 1 2 353.447 2.878 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@H](Oc3ccccc3)C2)C1=O ZINC000595831428 520756214 /nfs/dbraw/zinc/75/62/14/520756214.db2.gz NMHGUAAGFHTXCQ-SJORKVTESA-N 1 2 353.447 2.878 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000593154954 520785833 /nfs/dbraw/zinc/78/58/33/520785833.db2.gz QDOXJPXAOMRYLX-AWEZNQCLSA-N 1 2 358.667 2.605 20 30 FFEDLO Cc1ccc(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(C)[nH+]1 ZINC000610674936 520791969 /nfs/dbraw/zinc/79/19/69/520791969.db2.gz YYNLIFZWZOMQFB-UHFFFAOYSA-N 1 2 366.425 2.790 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000610853454 520873881 /nfs/dbraw/zinc/87/38/81/520873881.db2.gz YLGQMQNYPIWSJN-INIZCTEOSA-N 1 2 358.388 2.829 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000610853454 520873888 /nfs/dbraw/zinc/87/38/88/520873888.db2.gz YLGQMQNYPIWSJN-INIZCTEOSA-N 1 2 358.388 2.829 20 30 FFEDLO CN(C)Cc1csc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)n1 ZINC000593279934 520877258 /nfs/dbraw/zinc/87/72/58/520877258.db2.gz FHJJEBNTKCHGKW-UHFFFAOYSA-N 1 2 364.496 2.807 20 30 FFEDLO C[NH+](C)Cc1csc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)n1 ZINC000593279934 520877263 /nfs/dbraw/zinc/87/72/63/520877263.db2.gz FHJJEBNTKCHGKW-UHFFFAOYSA-N 1 2 364.496 2.807 20 30 FFEDLO N#Cc1cc2cccnc2nc1N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000596062056 520887289 /nfs/dbraw/zinc/88/72/89/520887289.db2.gz DWSIKGJVOGMUIY-IBGZPJMESA-N 1 2 359.433 2.987 20 30 FFEDLO N#C[C@@H](CCc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601728915 520922928 /nfs/dbraw/zinc/92/29/28/520922928.db2.gz LZDJBBBLFXHKIM-HXUWFJFHSA-N 1 2 363.461 2.809 20 30 FFEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)NCCSCc1ccccc1C#N)CC2 ZINC000598973556 520952257 /nfs/dbraw/zinc/95/22/57/520952257.db2.gz AVYDXKZWHHPIKV-OAHLLOKOSA-N 1 2 354.479 2.675 20 30 FFEDLO C[C@H](CNC(=O)Cc1ccc(Br)cc1C#N)Cn1cc[nH+]c1 ZINC000593479784 521020998 /nfs/dbraw/zinc/02/09/98/521020998.db2.gz FDEDJZZFKKXQGI-GFCCVEGCSA-N 1 2 361.243 2.512 20 30 FFEDLO CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CCN(CCC#N)CC1 ZINC000611174321 521023933 /nfs/dbraw/zinc/02/39/33/521023933.db2.gz GZRIHYIRRSLSQS-UHFFFAOYSA-N 1 2 366.465 2.751 20 30 FFEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1)c1cc2ccccc2o1 ZINC000611175403 521023993 /nfs/dbraw/zinc/02/39/93/521023993.db2.gz BPNJMQJEXRAZCX-HOTGVXAUSA-N 1 2 354.454 2.530 20 30 FFEDLO CO[C@H](C)c1nsc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000593514498 521042667 /nfs/dbraw/zinc/04/26/67/521042667.db2.gz DDDHIUUUXXBQBV-CYBMUJFWSA-N 1 2 357.483 2.616 20 30 FFEDLO COc1ccc(CN2CC[C@@H]([NH2+]Cc3cccc(F)c3C#N)C2=O)cc1 ZINC000602009666 521075158 /nfs/dbraw/zinc/07/51/58/521075158.db2.gz ZTBBUDFPGQBIIB-LJQANCHMSA-N 1 2 353.397 2.597 20 30 FFEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000593559314 521076271 /nfs/dbraw/zinc/07/62/71/521076271.db2.gz HKTBGMPPYYUPTQ-CQSZACIVSA-N 1 2 358.467 2.779 20 30 FFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000599263315 521117721 /nfs/dbraw/zinc/11/77/21/521117721.db2.gz DYRRXKPFPKFDOK-ROUUACIJSA-N 1 2 364.873 2.785 20 30 FFEDLO N#CC1(C[C@H](O)C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000599263315 521117733 /nfs/dbraw/zinc/11/77/33/521117733.db2.gz DYRRXKPFPKFDOK-ROUUACIJSA-N 1 2 364.873 2.785 20 30 FFEDLO CC(C)C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)n1cc[nH+]c1 ZINC000602095605 521138693 /nfs/dbraw/zinc/13/86/93/521138693.db2.gz CCHRUZBDIKAOHO-WOJBJXKFSA-N 1 2 365.481 2.707 20 30 FFEDLO N#Cc1c(F)cc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1F ZINC000596662655 521199353 /nfs/dbraw/zinc/19/93/53/521199353.db2.gz WENGSTSTLMCYRC-UHFFFAOYSA-N 1 2 371.387 2.673 20 30 FFEDLO CC(C)(C)CCNC(=O)C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551517 521215025 /nfs/dbraw/zinc/21/50/25/521215025.db2.gz MKDUEKWGSHXBCB-GOSISDBHSA-N 1 2 360.477 2.560 20 30 FFEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CC(=O)NC2CCCCCC2)CC1 ZINC000611551484 521215914 /nfs/dbraw/zinc/21/59/14/521215914.db2.gz MEAORTBUIUJXNW-FQEVSTJZSA-N 1 2 372.488 2.847 20 30 FFEDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000611555225 521217856 /nfs/dbraw/zinc/21/78/56/521217856.db2.gz SFDYXOXUIDBJRP-OCCSQVGLSA-N 1 2 360.401 2.995 20 30 FFEDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000611555225 521217863 /nfs/dbraw/zinc/21/78/63/521217863.db2.gz SFDYXOXUIDBJRP-OCCSQVGLSA-N 1 2 360.401 2.995 20 30 FFEDLO N#CCCCOc1cccc(NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000615093801 521265364 /nfs/dbraw/zinc/26/53/64/521265364.db2.gz SZIPWYIRVZJFID-UHFFFAOYSA-N 1 2 363.377 2.594 20 30 FFEDLO CCC(CC)[C@@H](C(=O)N[C@@H]1CCc2cc(C#N)ccc21)[NH+]1CCOCC1 ZINC000618893113 521279565 /nfs/dbraw/zinc/27/95/65/521279565.db2.gz WTKVUYQBWWBXLF-UXHICEINSA-N 1 2 355.482 2.799 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599590254 521315820 /nfs/dbraw/zinc/31/58/20/521315820.db2.gz PJAKKTLPBHWENP-RHSMWYFYSA-N 1 2 357.454 2.796 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599590254 521315825 /nfs/dbraw/zinc/31/58/25/521315825.db2.gz PJAKKTLPBHWENP-RHSMWYFYSA-N 1 2 357.454 2.796 20 30 FFEDLO Cn1cc(C[N@@H+]2CCn3c(nnc3C(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000611794050 521334294 /nfs/dbraw/zinc/33/42/94/521334294.db2.gz PPGQHVPLVUJSJE-UHFFFAOYSA-N 1 2 369.379 2.504 20 30 FFEDLO Cn1cc(C[N@H+]2CCn3c(nnc3C(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000611794050 521334302 /nfs/dbraw/zinc/33/43/02/521334302.db2.gz PPGQHVPLVUJSJE-UHFFFAOYSA-N 1 2 369.379 2.504 20 30 FFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000619067984 521382106 /nfs/dbraw/zinc/38/21/06/521382106.db2.gz IODDLAPYOOUIBL-UHFFFAOYSA-N 1 2 364.409 2.729 20 30 FFEDLO COCc1csc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000596985507 521425690 /nfs/dbraw/zinc/42/56/90/521425690.db2.gz NZFDZFNQKACXBH-UHFFFAOYSA-N 1 2 358.467 2.954 20 30 FFEDLO Cc1cc2c(ncnc2N2CC[NH+](Cc3cccc(C#N)n3)CC2)s1 ZINC000602626241 521444047 /nfs/dbraw/zinc/44/40/47/521444047.db2.gz MIUBSOXGDBWEPG-UHFFFAOYSA-N 1 2 350.451 2.589 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@](F)(C#N)C1)c1ccc(Cl)cc1 ZINC000615577891 521454392 /nfs/dbraw/zinc/45/43/92/521454392.db2.gz PTQAFSIIFDUCIS-YOEHRIQHSA-N 1 2 361.808 2.810 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(OC2CC2)c1F ZINC000597026490 521455527 /nfs/dbraw/zinc/45/55/27/521455527.db2.gz IWDVMLBTYMXZAW-CQSZACIVSA-N 1 2 367.428 2.739 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(OC2CC2)c1F ZINC000597026490 521455533 /nfs/dbraw/zinc/45/55/33/521455533.db2.gz IWDVMLBTYMXZAW-CQSZACIVSA-N 1 2 367.428 2.739 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1cccc(Br)c1 ZINC000597042015 521463098 /nfs/dbraw/zinc/46/30/98/521463098.db2.gz SGMJYIRGCWJSAB-IUODEOHRSA-N 1 2 359.227 2.589 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3OCc4ccccc43)CC2)cc1 ZINC000594212123 521477839 /nfs/dbraw/zinc/47/78/39/521477839.db2.gz SXVMKIWHZWBZAZ-OAQYLSRUSA-N 1 2 361.445 2.864 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N(CCC#N)Cc1ccccn1)C(F)(F)F ZINC000594280538 521532017 /nfs/dbraw/zinc/53/20/17/521532017.db2.gz NCGZCXZHCHWZSI-CQSZACIVSA-N 1 2 365.359 2.794 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000597182719 521560975 /nfs/dbraw/zinc/56/09/75/521560975.db2.gz DPPOAENSJIOMCG-MCIONIFRSA-N 1 2 364.327 2.803 20 30 FFEDLO COc1cc2c(cc1C[NH+]1CCN(c3ccsc3C#N)CC1)OCO2 ZINC000597184699 521562770 /nfs/dbraw/zinc/56/27/70/521562770.db2.gz ZBMQUWZBZQCMJE-UHFFFAOYSA-N 1 2 357.435 2.679 20 30 FFEDLO CC[N@H+](CCCNS(=O)(=O)c1cccc(CC#N)c1)c1ccccc1 ZINC000619474200 521586895 /nfs/dbraw/zinc/58/68/95/521586895.db2.gz KHCDNASVTKXKPP-UHFFFAOYSA-N 1 2 357.479 2.948 20 30 FFEDLO CC[N@@H+](CCCNS(=O)(=O)c1cccc(CC#N)c1)c1ccccc1 ZINC000619474200 521586904 /nfs/dbraw/zinc/58/69/04/521586904.db2.gz KHCDNASVTKXKPP-UHFFFAOYSA-N 1 2 357.479 2.948 20 30 FFEDLO N#CCc1cccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000619569608 521772842 /nfs/dbraw/zinc/77/28/42/521772842.db2.gz ALSJJNUGEUPVBR-UHFFFAOYSA-N 1 2 356.382 2.878 20 30 FFEDLO N#Cc1ccc(OCC(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)cc1 ZINC000619778385 521866704 /nfs/dbraw/zinc/86/67/04/521866704.db2.gz VTZJTEQCPMHVCH-SFHVURJKSA-N 1 2 355.825 2.764 20 30 FFEDLO N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(N)[nH+]c3)cn2)c1 ZINC000619792139 521873333 /nfs/dbraw/zinc/87/33/33/521873333.db2.gz JXJYJHCLHDIGLQ-UHFFFAOYSA-N 1 2 360.377 2.875 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)nn1 ZINC000623615802 522163586 /nfs/dbraw/zinc/16/35/86/522163586.db2.gz WNTJCKRHMCYOJW-GDBMZVCRSA-N 1 2 352.360 2.878 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC000635413698 522237188 /nfs/dbraw/zinc/23/71/88/522237188.db2.gz BGLPYUSIYVFHTI-IAGOWNOFSA-N 1 2 350.422 2.966 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC000635413698 522237198 /nfs/dbraw/zinc/23/71/98/522237198.db2.gz BGLPYUSIYVFHTI-IAGOWNOFSA-N 1 2 350.422 2.966 20 30 FFEDLO C=C[C@H](CC(=O)N1CC[NH+](CCc2cnccn2)CC1)c1ccccc1 ZINC000634509927 523465964 /nfs/dbraw/zinc/46/59/64/523465964.db2.gz GETHWTUPVKTGTC-GOSISDBHSA-N 1 2 350.466 2.523 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1sccc1C#N)C[C@H]1COc2ccccc2O1 ZINC000031173500 535777543 /nfs/dbraw/zinc/77/75/43/535777543.db2.gz CTOLFZHWNJSRHL-AWEZNQCLSA-N 1 2 357.435 2.720 20 30 FFEDLO CC[N@H+](CC(=O)Nc1sccc1C#N)C[C@H]1COc2ccccc2O1 ZINC000031173500 535777546 /nfs/dbraw/zinc/77/75/46/535777546.db2.gz CTOLFZHWNJSRHL-AWEZNQCLSA-N 1 2 357.435 2.720 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000819745453 606629406 /nfs/dbraw/zinc/62/94/06/606629406.db2.gz DLGUZHLAAOGFCS-ROUUACIJSA-N 1 2 366.469 2.603 20 30 FFEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000819745453 606629407 /nfs/dbraw/zinc/62/94/07/606629407.db2.gz DLGUZHLAAOGFCS-ROUUACIJSA-N 1 2 366.469 2.603 20 30 FFEDLO Cc1cc[nH+]c(NCCSCc2ccccc2C#N)c1-c1nn[nH]n1 ZINC000826314490 609523940 /nfs/dbraw/zinc/52/39/40/609523940.db2.gz ZLLMHVVTARNKRI-UHFFFAOYSA-N 1 2 351.439 2.787 20 30 FFEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncc(CC#N)cc1Cl)C2 ZINC001165011980 721718568 /nfs/dbraw/zinc/71/85/68/721718568.db2.gz WWVMRJYGMSHSMN-UHFFFAOYSA-N 1 2 373.892 2.643 20 30 FFEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncc(CC#N)cc1Cl)C2 ZINC001165011980 721718572 /nfs/dbraw/zinc/71/85/72/721718572.db2.gz WWVMRJYGMSHSMN-UHFFFAOYSA-N 1 2 373.892 2.643 20 30 FFEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)c(F)cc2C#N)CC1 ZINC001164917259 721812308 /nfs/dbraw/zinc/81/23/08/721812308.db2.gz MCOIRSYBFQWUQO-UHFFFAOYSA-N 1 2 374.851 2.692 20 30 FFEDLO C#CC[N@@H+](Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)C1CCCC1 ZINC000155845233 728837386 /nfs/dbraw/zinc/83/73/86/728837386.db2.gz QXYPKBGAAKEIRX-UHFFFAOYSA-N 1 2 356.495 2.898 20 30 FFEDLO C#CC[N@H+](Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)C1CCCC1 ZINC000155845233 728837390 /nfs/dbraw/zinc/83/73/90/728837390.db2.gz QXYPKBGAAKEIRX-UHFFFAOYSA-N 1 2 356.495 2.898 20 30 FFEDLO C=CCCS(=O)(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000125960941 728690308 /nfs/dbraw/zinc/69/03/08/728690308.db2.gz ZUULHFWMCDPVED-LPHOPBHVSA-N 1 2 365.543 2.828 20 30 FFEDLO C=CCCS(=O)(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000125960941 728690310 /nfs/dbraw/zinc/69/03/10/728690310.db2.gz ZUULHFWMCDPVED-LPHOPBHVSA-N 1 2 365.543 2.828 20 30 FFEDLO N#CCc1ccsc1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000870986863 731583909 /nfs/dbraw/zinc/58/39/09/731583909.db2.gz QPVOHHSYXUEBTB-UHFFFAOYSA-N 1 2 358.492 2.692 20 30 FFEDLO N#CCOc1ccc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000874320165 732041647 /nfs/dbraw/zinc/04/16/47/732041647.db2.gz VCCFQASTQUAWKO-AWEZNQCLSA-N 1 2 352.316 2.595 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(C(C)(C)O)CC1 ZINC000879627828 732736174 /nfs/dbraw/zinc/73/61/74/732736174.db2.gz TTXOIKFBQKQUIX-LBPRGKRZSA-N 1 2 361.511 2.918 20 30 FFEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC000880326166 732891561 /nfs/dbraw/zinc/89/15/61/732891561.db2.gz DVDAVPSEVMOARF-STQMWFEESA-N 1 2 352.456 2.535 20 30 FFEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC000880326166 732891564 /nfs/dbraw/zinc/89/15/64/732891564.db2.gz DVDAVPSEVMOARF-STQMWFEESA-N 1 2 352.456 2.535 20 30 FFEDLO C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000667017723 732930818 /nfs/dbraw/zinc/93/08/18/732930818.db2.gz ZUIJAPNBEKMPMM-HNNXBMFYSA-N 1 2 350.488 2.538 20 30 FFEDLO CC(C)C[C@@H](C)N(C)C(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949247 738767255 /nfs/dbraw/zinc/76/72/55/738767255.db2.gz FCSGOIVVRQECNB-GFCCVEGCSA-N 1 2 370.291 2.979 20 30 FFEDLO COC[C@@H](C)N=c1scc(C)n1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783741658 738831448 /nfs/dbraw/zinc/83/14/48/738831448.db2.gz PXVDYHPNMKIAJZ-GFCCVEGCSA-N 1 2 361.496 2.923 20 30 FFEDLO CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783824272 738840077 /nfs/dbraw/zinc/84/00/77/738840077.db2.gz OTKZXTXGODZLGU-UHFFFAOYSA-N 1 2 374.495 2.787 20 30 FFEDLO CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(Cl)c(Cl)c1O ZINC000731928485 734706214 /nfs/dbraw/zinc/70/62/14/734706214.db2.gz KEAHGMYFQJXFLV-UHFFFAOYSA-N 1 2 363.314 2.839 20 30 FFEDLO C=CC[N@@H+](Cc1c(C)cc(C)c(COC)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000893968878 734779762 /nfs/dbraw/zinc/77/97/62/734779762.db2.gz MXDUFJKRLGPDKC-QGZVFWFLSA-N 1 2 351.512 2.933 20 30 FFEDLO C=CC[N@H+](Cc1c(C)cc(C)c(COC)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000893968878 734779765 /nfs/dbraw/zinc/77/97/65/734779765.db2.gz MXDUFJKRLGPDKC-QGZVFWFLSA-N 1 2 351.512 2.933 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)cc1OC ZINC000895646698 735036460 /nfs/dbraw/zinc/03/64/60/735036460.db2.gz IGMQZSFGFPWURC-LRDDRELGSA-N 1 2 354.244 2.589 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)cc1OC ZINC000895646698 735036463 /nfs/dbraw/zinc/03/64/63/735036463.db2.gz IGMQZSFGFPWURC-LRDDRELGSA-N 1 2 354.244 2.589 20 30 FFEDLO C#CCC1(O)CC[NH+](Cc2cc(OC)c(Br)cc2F)CC1 ZINC000895671855 735039119 /nfs/dbraw/zinc/03/91/19/735039119.db2.gz YYOVUHHXBCGIMK-UHFFFAOYSA-N 1 2 356.235 2.947 20 30 FFEDLO C/C(=C\C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)C[NH+]1CCOCC1 ZINC000900634793 735672262 /nfs/dbraw/zinc/67/22/62/735672262.db2.gz WCKSGSGHRYOYTJ-RZXPCSSPSA-N 1 2 368.264 2.953 20 30 FFEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1(C#N)CCSCC1 ZINC000903483635 736100671 /nfs/dbraw/zinc/10/06/71/736100671.db2.gz KUEGRJZGMZWWPZ-UHFFFAOYSA-N 1 2 359.495 2.803 20 30 FFEDLO O=C1Nc2c(ccc(Cl)c2Cl)C1=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753934768 736108091 /nfs/dbraw/zinc/10/80/91/736108091.db2.gz KJCITKQKKYGZCQ-UWVGGRQHSA-N 1 2 352.225 2.510 20 30 FFEDLO N#Cc1sc2ccccc2c1S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000907095410 736582050 /nfs/dbraw/zinc/58/20/50/736582050.db2.gz ISOJPRPLAVWLTI-UHFFFAOYSA-N 1 2 360.464 2.728 20 30 FFEDLO CC(=NNS(=O)(=O)c1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000764724072 737044134 /nfs/dbraw/zinc/04/41/34/737044134.db2.gz UFXGGQRGQPJPJF-UHFFFAOYSA-N 1 2 358.398 2.714 20 30 FFEDLO [NH3+][C@H](CC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(F)F ZINC000912465292 737307837 /nfs/dbraw/zinc/30/78/37/737307837.db2.gz AZSAMYMQVLDAQM-VMHSAVOQSA-N 1 2 356.257 2.995 20 30 FFEDLO C=CC[N@@H+](Cc1sc2nc(C)nc(C)c2c1C)[C@H]1CCS(=O)(=O)C1 ZINC000768985072 737484678 /nfs/dbraw/zinc/48/46/78/737484678.db2.gz OONGECSLPDKURY-AWEZNQCLSA-N 1 2 365.524 2.792 20 30 FFEDLO C=CC[N@H+](Cc1sc2nc(C)nc(C)c2c1C)[C@H]1CCS(=O)(=O)C1 ZINC000768985072 737484681 /nfs/dbraw/zinc/48/46/81/737484681.db2.gz OONGECSLPDKURY-AWEZNQCLSA-N 1 2 365.524 2.792 20 30 FFEDLO CCn1c[nH+]cc1[C@H]1CCCCN1S(=O)(=O)Cc1csc(C#N)c1 ZINC000915730643 737651913 /nfs/dbraw/zinc/65/19/13/737651913.db2.gz CVGJJJBOPXFYCB-OAHLLOKOSA-N 1 2 364.496 2.893 20 30 FFEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000921437872 737983250 /nfs/dbraw/zinc/98/32/50/737983250.db2.gz JCLQGWAWESEJPA-UHFFFAOYSA-N 1 2 365.257 2.508 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)n(-c3ccccc3Cl)n2)CC1 ZINC000776467365 738197049 /nfs/dbraw/zinc/19/70/49/738197049.db2.gz UTNSCORDBRWEFX-UHFFFAOYSA-N 1 2 356.857 2.615 20 30 FFEDLO Cc1ncsc1/C=C\C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000777231242 738273840 /nfs/dbraw/zinc/27/38/40/738273840.db2.gz PWVHRBFOAWPIBY-SREVYHEPSA-N 1 2 352.463 2.681 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](C[C@@H]3CCC[C@@H](C(F)(F)F)O3)CC2)c1 ZINC000929270470 738963047 /nfs/dbraw/zinc/96/30/47/738963047.db2.gz SATRYWJRWRKVJF-GJZGRUSLSA-N 1 2 354.376 2.575 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCO[C@](C)(C#N)C3)n2)C1 ZINC000929331382 738971233 /nfs/dbraw/zinc/97/12/33/738971233.db2.gz HGKYCZYPRDEPPY-CXAGYDPISA-N 1 2 363.487 2.521 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCO[C@](C)(C#N)C3)n2)C1 ZINC000929331382 738971235 /nfs/dbraw/zinc/97/12/35/738971235.db2.gz HGKYCZYPRDEPPY-CXAGYDPISA-N 1 2 363.487 2.521 20 30 FFEDLO CC[C@H]1C[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CCN1CC(F)F ZINC000930142456 739064758 /nfs/dbraw/zinc/06/47/58/739064758.db2.gz IJFSUKFRJWSAQI-GXSJLCMTSA-N 1 2 354.310 2.596 20 30 FFEDLO CC[C@H]1C[N@@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CCN1CC(F)F ZINC000930142456 739064765 /nfs/dbraw/zinc/06/47/65/739064765.db2.gz IJFSUKFRJWSAQI-GXSJLCMTSA-N 1 2 354.310 2.596 20 30 FFEDLO N#C[C@@H]1CCC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000932148120 739395574 /nfs/dbraw/zinc/39/55/74/739395574.db2.gz KNCUAJBSLJCGKB-FZMZJTMJSA-N 1 2 357.223 2.563 20 30 FFEDLO N#C[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000932148120 739395578 /nfs/dbraw/zinc/39/55/78/739395578.db2.gz KNCUAJBSLJCGKB-FZMZJTMJSA-N 1 2 357.223 2.563 20 30 FFEDLO COCCN(C)c1ccc(C=[NH+]NC(=S)N[C@@H]2CCCC[C@H]2C)cn1 ZINC000790147981 739422341 /nfs/dbraw/zinc/42/23/41/739422341.db2.gz OEXFDEUQOCJNGW-GDBMZVCRSA-N 1 2 363.531 2.541 20 30 FFEDLO Cc1sc2nc(C[NH+]3CCC4(CC3)CC(=O)C=CO4)nc(N)c2c1C ZINC000933647906 739666683 /nfs/dbraw/zinc/66/66/83/739666683.db2.gz KDQLIFWGTULKIK-UHFFFAOYSA-N 1 2 358.467 2.728 20 30 FFEDLO Cn1cc([C@H]2CSCCC[N@@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])cn1 ZINC000933976186 739713508 /nfs/dbraw/zinc/71/35/08/739713508.db2.gz PLDXWNRBUCTHQK-QGZVFWFLSA-N 1 2 357.439 2.880 20 30 FFEDLO Cn1cc([C@H]2CSCCC[N@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])cn1 ZINC000933976186 739713510 /nfs/dbraw/zinc/71/35/10/739713510.db2.gz PLDXWNRBUCTHQK-QGZVFWFLSA-N 1 2 357.439 2.880 20 30 FFEDLO COC(=O)c1ccc(C[NH2+]Cc2ccc(C#N)cn2)c(Br)c1 ZINC000793591948 739797053 /nfs/dbraw/zinc/79/70/53/739797053.db2.gz STDMWNAKNSFTEP-UHFFFAOYSA-N 1 2 360.211 2.792 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000800336192 740514038 /nfs/dbraw/zinc/51/40/38/740514038.db2.gz FTIBEFOHRCWJKH-ARFHVFGLSA-N 1 2 352.475 2.826 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000800336192 740514040 /nfs/dbraw/zinc/51/40/40/740514040.db2.gz FTIBEFOHRCWJKH-ARFHVFGLSA-N 1 2 352.475 2.826 20 30 FFEDLO C=C(Br)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC000969030800 740727795 /nfs/dbraw/zinc/72/77/95/740727795.db2.gz NEQNIDGYRRETPE-SNPRPXQTSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC000969030800 740727797 /nfs/dbraw/zinc/72/77/97/740727797.db2.gz NEQNIDGYRRETPE-SNPRPXQTSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(O)ccc2Cl)C1 ZINC000972375587 740827007 /nfs/dbraw/zinc/82/70/07/740827007.db2.gz IPTUNGQKGXDRPH-LESCRADOSA-N 1 2 364.873 2.669 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(O)ccc2Cl)C1 ZINC000972375587 740827009 /nfs/dbraw/zinc/82/70/09/740827009.db2.gz IPTUNGQKGXDRPH-LESCRADOSA-N 1 2 364.873 2.669 20 30 FFEDLO C#C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000811964833 741579545 /nfs/dbraw/zinc/57/95/45/741579545.db2.gz RNSMXMBDBFUOLI-QGZVFWFLSA-N 1 2 354.841 2.941 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001001245037 742113550 /nfs/dbraw/zinc/11/35/50/742113550.db2.gz LCHLLCCIPQXMHI-WMZOPIPTSA-N 1 2 361.511 2.763 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001001245037 742113553 /nfs/dbraw/zinc/11/35/53/742113553.db2.gz LCHLLCCIPQXMHI-WMZOPIPTSA-N 1 2 361.511 2.763 20 30 FFEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001027489596 742771375 /nfs/dbraw/zinc/77/13/75/742771375.db2.gz WFTVTKLUYUTKCX-UXLLHSPISA-N 1 2 371.319 2.777 20 30 FFEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001027489596 742771379 /nfs/dbraw/zinc/77/13/79/742771379.db2.gz WFTVTKLUYUTKCX-UXLLHSPISA-N 1 2 371.319 2.777 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC001027585720 742774728 /nfs/dbraw/zinc/77/47/28/742774728.db2.gz OAOCLIRFIHOMSS-BBWFWOEESA-N 1 2 363.527 2.719 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC001027585720 742774732 /nfs/dbraw/zinc/77/47/32/742774732.db2.gz OAOCLIRFIHOMSS-BBWFWOEESA-N 1 2 363.527 2.719 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1c(F)cccc1F ZINC001028142420 742785934 /nfs/dbraw/zinc/78/59/34/742785934.db2.gz LUDIITZIJNZHGF-LBTNJELSSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1c(F)cccc1F ZINC001028142420 742785939 /nfs/dbraw/zinc/78/59/39/742785939.db2.gz LUDIITZIJNZHGF-LBTNJELSSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001033439852 742891364 /nfs/dbraw/zinc/89/13/64/742891364.db2.gz AXTJJKOAHZNTIU-BFHYXJOUSA-N 1 2 353.260 2.824 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001033439852 742891370 /nfs/dbraw/zinc/89/13/70/742891370.db2.gz AXTJJKOAHZNTIU-BFHYXJOUSA-N 1 2 353.260 2.824 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](CC(=C)Br)C1 ZINC001033833224 742896680 /nfs/dbraw/zinc/89/66/80/742896680.db2.gz NEHSPTDZUIOEGJ-OAGGEKHMSA-N 1 2 371.319 2.799 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](CC(=C)Br)C1 ZINC001033833224 742896688 /nfs/dbraw/zinc/89/66/88/742896688.db2.gz NEHSPTDZUIOEGJ-OAGGEKHMSA-N 1 2 371.319 2.799 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001033953283 742905903 /nfs/dbraw/zinc/90/59/03/742905903.db2.gz BAESUVCDNPOREQ-JZXOWHBKSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001033953283 742905915 /nfs/dbraw/zinc/90/59/15/742905915.db2.gz BAESUVCDNPOREQ-JZXOWHBKSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001035485266 742951598 /nfs/dbraw/zinc/95/15/98/742951598.db2.gz WSWSJDHETBBTFO-BFHYXJOUSA-N 1 2 354.903 2.898 20 30 FFEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001035485266 742951603 /nfs/dbraw/zinc/95/16/03/742951603.db2.gz WSWSJDHETBBTFO-BFHYXJOUSA-N 1 2 354.903 2.898 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001042743218 743114375 /nfs/dbraw/zinc/11/43/75/743114375.db2.gz ILNLGDZMQXCEIJ-CFVMTHIKSA-N 1 2 361.313 2.694 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000824867675 743167958 /nfs/dbraw/zinc/16/79/58/743167958.db2.gz USIINSVHPBZNDX-UHFFFAOYSA-N 1 2 367.243 2.742 20 30 FFEDLO C=C(Cl)C[C@@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)C(=O)OCC ZINC000825146488 743218988 /nfs/dbraw/zinc/21/89/88/743218988.db2.gz FDNMCTSQMCYKBM-MNOVXSKESA-N 1 2 367.755 2.567 20 30 FFEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC001045507672 743282501 /nfs/dbraw/zinc/28/25/01/743282501.db2.gz VNPWOQKQTPROME-KGLIPLIRSA-N 1 2 359.308 2.681 20 30 FFEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001051082035 743553501 /nfs/dbraw/zinc/55/35/01/743553501.db2.gz QJWFJNAWTOROAY-MGPQQGTHSA-N 1 2 354.903 2.898 20 30 FFEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001051082035 743553506 /nfs/dbraw/zinc/55/35/06/743553506.db2.gz QJWFJNAWTOROAY-MGPQQGTHSA-N 1 2 354.903 2.898 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)cc1 ZINC000827851397 744990544 /nfs/dbraw/zinc/99/05/44/744990544.db2.gz UJPUZOMPGGHGOZ-CJNGLKHVSA-N 1 2 354.372 2.588 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)cc1 ZINC000827851397 744990548 /nfs/dbraw/zinc/99/05/48/744990548.db2.gz UJPUZOMPGGHGOZ-CJNGLKHVSA-N 1 2 354.372 2.588 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F)CO2 ZINC001053848047 744999551 /nfs/dbraw/zinc/99/95/51/744999551.db2.gz QTEYYMQYKLNQQS-RBSFLKMASA-N 1 2 358.404 2.667 20 30 FFEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000830574276 745384772 /nfs/dbraw/zinc/38/47/72/745384772.db2.gz NEXPJFRRXHOJFX-HNNXBMFYSA-N 1 2 351.834 2.905 20 30 FFEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000830574276 745384774 /nfs/dbraw/zinc/38/47/74/745384774.db2.gz NEXPJFRRXHOJFX-HNNXBMFYSA-N 1 2 351.834 2.905 20 30 FFEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000830584663 745388137 /nfs/dbraw/zinc/38/81/37/745388137.db2.gz WNUJCFHLHVIDBO-CQSZACIVSA-N 1 2 366.259 2.983 20 30 FFEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000830584663 745388141 /nfs/dbraw/zinc/38/81/41/745388141.db2.gz WNUJCFHLHVIDBO-CQSZACIVSA-N 1 2 366.259 2.983 20 30 FFEDLO C[C@H](CC#N)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000832824150 745762223 /nfs/dbraw/zinc/76/22/23/745762223.db2.gz SYVOFLJVPAVVBB-GFCCVEGCSA-N 1 2 365.275 2.689 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3nnc(C4CC4)s3)C2=O)cc1 ZINC000842163165 747537124 /nfs/dbraw/zinc/53/71/24/747537124.db2.gz KZDGJYJVXCEZJK-OAHLLOKOSA-N 1 2 353.451 2.572 20 30 FFEDLO CCOc1cc(C=NNCCCn2cc[nH+]c2)cc(Br)c1O ZINC000848418320 748921427 /nfs/dbraw/zinc/92/14/27/748921427.db2.gz IJQTUUJMDNSJDA-UHFFFAOYSA-N 1 2 367.247 2.764 20 30 FFEDLO C=C1CCC(c2nc(-c3ccc(C(=O)N4CC[NH+](C)CC4)nc3)no2)CC1 ZINC000896122309 971262845 /nfs/dbraw/zinc/26/28/45/971262845.db2.gz VXACNNYQLHQZJK-UHFFFAOYSA-N 1 2 367.453 2.733 20 30 FFEDLO C[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)Cc2ccccc2O1 ZINC000330235809 971541580 /nfs/dbraw/zinc/54/15/80/971541580.db2.gz YYRZSMGMPWZYRD-WBVHZDCISA-N 1 2 352.438 2.857 20 30 FFEDLO C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC000959737829 1013094617 /nfs/dbraw/zinc/09/46/17/1013094617.db2.gz KJTJSVFYAQYEFT-ZHCJQAHYSA-N 1 2 370.497 2.611 20 30 FFEDLO C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC000959737829 1013094634 /nfs/dbraw/zinc/09/46/34/1013094634.db2.gz KJTJSVFYAQYEFT-ZHCJQAHYSA-N 1 2 370.497 2.611 20 30 FFEDLO C[N@H+](CC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc21)[C@@H]1CCSC1 ZINC000123625595 971735278 /nfs/dbraw/zinc/73/52/78/971735278.db2.gz DYKIVRZAZXPMOF-NVXWUHKLSA-N 1 2 367.474 2.924 20 30 FFEDLO C[N@@H+](CC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc21)[C@@H]1CCSC1 ZINC000123625595 971735286 /nfs/dbraw/zinc/73/52/86/971735286.db2.gz DYKIVRZAZXPMOF-NVXWUHKLSA-N 1 2 367.474 2.924 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759914692 971956827 /nfs/dbraw/zinc/95/68/27/971956827.db2.gz XUGWLHJTCDGHIM-KRWDZBQOSA-N 1 2 350.397 2.730 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759914692 971956833 /nfs/dbraw/zinc/95/68/33/971956833.db2.gz XUGWLHJTCDGHIM-KRWDZBQOSA-N 1 2 350.397 2.730 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3C[N@H+](Cc4nc5ccccc5[nH]4)C[C@H]32)C1 ZINC001275868609 1013118085 /nfs/dbraw/zinc/11/80/85/1013118085.db2.gz RHRNXTZAUKUSHL-MAUKXSAKSA-N 1 2 350.466 2.952 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3C[N@@H+](Cc4nc5ccccc5[nH]4)C[C@H]32)C1 ZINC001275868609 1013118090 /nfs/dbraw/zinc/11/80/90/1013118090.db2.gz RHRNXTZAUKUSHL-MAUKXSAKSA-N 1 2 350.466 2.952 20 30 FFEDLO C#CC[NH+]1CCN(Cn2nc(-c3cccc(C)c3)n(CC=C)c2=S)CC1 ZINC000124342515 972238263 /nfs/dbraw/zinc/23/82/63/972238263.db2.gz NUXDKCLJWIRJFD-UHFFFAOYSA-N 1 2 367.522 2.784 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(F)cccc2F)CC1(C)C ZINC000975064420 972335560 /nfs/dbraw/zinc/33/55/60/972335560.db2.gz MZJXGORFORIQMR-JEBQAFNWSA-N 1 2 364.436 2.883 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(F)cccc2F)CC1(C)C ZINC000975064420 972335563 /nfs/dbraw/zinc/33/55/63/972335563.db2.gz MZJXGORFORIQMR-JEBQAFNWSA-N 1 2 364.436 2.883 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104238641 960306434 /nfs/dbraw/zinc/30/64/34/960306434.db2.gz LKYUACSSTVSQTH-SKDZVZGDSA-N 1 2 358.486 2.808 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)NCC(C)C)CC2)c(C#N)c1C ZINC000891010932 961530839 /nfs/dbraw/zinc/53/08/39/961530839.db2.gz BYWJSUXGQRMIQQ-CQSZACIVSA-N 1 2 374.485 2.579 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc2c1OC(F)(F)O2 ZINC001276081343 1013415672 /nfs/dbraw/zinc/41/56/72/1013415672.db2.gz IIGHREDHEJIDAP-GOSISDBHSA-N 1 2 362.376 2.598 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc2c1OC(F)(F)O2 ZINC001276081343 1013415675 /nfs/dbraw/zinc/41/56/75/1013415675.db2.gz IIGHREDHEJIDAP-GOSISDBHSA-N 1 2 362.376 2.598 20 30 FFEDLO C=CCn1ncc2ccc(NC(=O)N3C[C@H]([NH+]4CCOCC4)C[C@@H]3C)cc21 ZINC000933077496 963432772 /nfs/dbraw/zinc/43/27/72/963432772.db2.gz NIKOUKQDYGFWIU-MAUKXSAKSA-N 1 2 369.469 2.549 20 30 FFEDLO CN(C)c1ccc(Nc2ncc(C#N)cc2I)c[nH+]1 ZINC001175341850 1013438112 /nfs/dbraw/zinc/43/81/12/1013438112.db2.gz WHYWJDAMZBHOJR-UHFFFAOYSA-N 1 2 365.178 2.762 20 30 FFEDLO COc1ccc(C#N)cc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001125530116 964291154 /nfs/dbraw/zinc/29/11/54/964291154.db2.gz CZLRNPWMXKDFSZ-UHFFFAOYSA-N 1 2 363.333 2.913 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1F ZINC001111489530 964383378 /nfs/dbraw/zinc/38/33/78/964383378.db2.gz BSKKXNGTGHXBPQ-XFHKCVFHSA-N 1 2 350.409 2.777 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1F ZINC001111489530 964383386 /nfs/dbraw/zinc/38/33/86/964383386.db2.gz BSKKXNGTGHXBPQ-XFHKCVFHSA-N 1 2 350.409 2.777 20 30 FFEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000134654880 964567932 /nfs/dbraw/zinc/56/79/32/964567932.db2.gz HOGYDDCHIHFDIT-RHSMWYFYSA-N 1 2 372.469 2.874 20 30 FFEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000134654880 964567942 /nfs/dbraw/zinc/56/79/42/964567942.db2.gz HOGYDDCHIHFDIT-RHSMWYFYSA-N 1 2 372.469 2.874 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1coc(C)n1 ZINC000960911859 1013519255 /nfs/dbraw/zinc/51/92/55/1013519255.db2.gz MTBCTVOOPKXEMT-QYZOEREBSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1coc(C)n1 ZINC000960911859 1013519264 /nfs/dbraw/zinc/51/92/64/1013519264.db2.gz MTBCTVOOPKXEMT-QYZOEREBSA-N 1 2 361.486 2.777 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1CCC)C1CC[NH+](Cc2nccc(C)n2)CC1 ZINC001270338844 964968528 /nfs/dbraw/zinc/96/85/28/964968528.db2.gz TVGYHGRUSNOSEY-IEBWSBKVSA-N 1 2 354.498 2.647 20 30 FFEDLO COc1cc(C)cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1O ZINC000894460398 965391897 /nfs/dbraw/zinc/39/18/97/965391897.db2.gz NBAHUVAGOPIIKZ-LSDHHAIUSA-N 1 2 361.442 2.558 20 30 FFEDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC001176554201 1013729901 /nfs/dbraw/zinc/72/99/01/1013729901.db2.gz ARLZFQGKCUODPG-NSHDSACASA-N 1 2 374.422 2.996 20 30 FFEDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC001176554201 1013729909 /nfs/dbraw/zinc/72/99/09/1013729909.db2.gz ARLZFQGKCUODPG-NSHDSACASA-N 1 2 374.422 2.996 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ncoc2CC)[C@H]1CC ZINC001087524167 967640803 /nfs/dbraw/zinc/64/08/03/967640803.db2.gz FXCCKEHQDZBWJR-NWDGAFQWSA-N 1 2 356.264 2.728 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ncoc2CC)[C@H]1CC ZINC001087524167 967640806 /nfs/dbraw/zinc/64/08/06/967640806.db2.gz FXCCKEHQDZBWJR-NWDGAFQWSA-N 1 2 356.264 2.728 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cncnc2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087551715 968086172 /nfs/dbraw/zinc/08/61/72/968086172.db2.gz QOBKXISGNBPMQU-RBUKOAKNSA-N 1 2 368.868 2.764 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cncnc2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087551715 968086183 /nfs/dbraw/zinc/08/61/83/968086183.db2.gz QOBKXISGNBPMQU-RBUKOAKNSA-N 1 2 368.868 2.764 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cn(C(C)C)cn2)[C@H]1CC ZINC001087672318 968551445 /nfs/dbraw/zinc/55/14/45/968551445.db2.gz NHHURVOHOLPSKV-DZGCQCFKSA-N 1 2 369.307 2.955 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cn(C(C)C)cn2)[C@H]1CC ZINC001087672318 968551449 /nfs/dbraw/zinc/55/14/49/968551449.db2.gz NHHURVOHOLPSKV-DZGCQCFKSA-N 1 2 369.307 2.955 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ncc(C)o1 ZINC001024701142 969264020 /nfs/dbraw/zinc/26/40/20/969264020.db2.gz LAVZMZBWJRCPTR-LNLFQRSKSA-N 1 2 361.486 2.825 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ncc(C)o1 ZINC001024701142 969264027 /nfs/dbraw/zinc/26/40/27/969264027.db2.gz LAVZMZBWJRCPTR-LNLFQRSKSA-N 1 2 361.486 2.825 20 30 FFEDLO C[C@@H](CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21)C1CC1 ZINC001083286228 970429854 /nfs/dbraw/zinc/42/98/54/970429854.db2.gz YKVBOVJHKDQHEU-PNHOKKKMSA-N 1 2 371.456 2.545 20 30 FFEDLO C[C@@H](CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21)C1CC1 ZINC001083286228 970429862 /nfs/dbraw/zinc/42/98/62/970429862.db2.gz YKVBOVJHKDQHEU-PNHOKKKMSA-N 1 2 371.456 2.545 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3oc4ccccc4c3CC)[C@H]2C1 ZINC001083288447 970582649 /nfs/dbraw/zinc/58/26/49/970582649.db2.gz GXECLAHBOQWZFR-PKOBYXMFSA-N 1 2 352.434 2.544 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3oc4ccccc4c3CC)[C@H]2C1 ZINC001083288447 970582656 /nfs/dbraw/zinc/58/26/56/970582656.db2.gz GXECLAHBOQWZFR-PKOBYXMFSA-N 1 2 352.434 2.544 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](Cc4nn(C)cc4Cl)CC[C@@H]3C2)C1 ZINC001088098393 972781689 /nfs/dbraw/zinc/78/16/89/972781689.db2.gz HCROYIQGZIYOSL-CABCVRRESA-N 1 2 362.905 2.710 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](Cc4nn(C)cc4Cl)CC[C@@H]3C2)C1 ZINC001088098393 972781697 /nfs/dbraw/zinc/78/16/97/972781697.db2.gz HCROYIQGZIYOSL-CABCVRRESA-N 1 2 362.905 2.710 20 30 FFEDLO C=CC[N@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@H](C)COC ZINC000661244570 973981641 /nfs/dbraw/zinc/98/16/41/973981641.db2.gz VZGDODXOLAVLBU-MRXNPFEDSA-N 1 2 371.481 2.807 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@H](C)COC ZINC000661244570 973981650 /nfs/dbraw/zinc/98/16/50/973981650.db2.gz VZGDODXOLAVLBU-MRXNPFEDSA-N 1 2 371.481 2.807 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1 ZINC000125452889 974306921 /nfs/dbraw/zinc/30/69/21/974306921.db2.gz SUDNPEAFFGZLEQ-CQSZACIVSA-N 1 2 373.428 2.885 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCCO3)[C@@H]2C1 ZINC001075573441 975003436 /nfs/dbraw/zinc/00/34/36/975003436.db2.gz KAFWMVGTMPIBEX-FFZOFVMBSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCCO3)[C@@H]2C1 ZINC001075573441 975003441 /nfs/dbraw/zinc/00/34/41/975003441.db2.gz KAFWMVGTMPIBEX-FFZOFVMBSA-N 1 2 371.456 2.689 20 30 FFEDLO N#CCc1ccc(COC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000785308656 975062398 /nfs/dbraw/zinc/06/23/98/975062398.db2.gz WUJBALJASFAJHI-NRFANRHFSA-N 1 2 364.445 2.994 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4coc(C)n4)C[C@H]32)cc1 ZINC001075958722 975730913 /nfs/dbraw/zinc/73/09/13/975730913.db2.gz PDHKAYVJMQABDI-FXAWDEMLSA-N 1 2 367.449 2.894 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4coc(C)n4)C[C@H]32)cc1 ZINC001075958722 975730921 /nfs/dbraw/zinc/73/09/21/975730921.db2.gz PDHKAYVJMQABDI-FXAWDEMLSA-N 1 2 367.449 2.894 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc3ccncc3n2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088752665 975815952 /nfs/dbraw/zinc/81/59/52/975815952.db2.gz AAEQMDWASJCDFQ-BEFAXECRSA-N 1 2 371.444 2.894 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc3ccncc3n2)CC[N@H+]1Cc1ccccc1C#N ZINC001088752665 975815963 /nfs/dbraw/zinc/81/59/63/975815963.db2.gz AAEQMDWASJCDFQ-BEFAXECRSA-N 1 2 371.444 2.894 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)on2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088778404 976138394 /nfs/dbraw/zinc/13/83/94/976138394.db2.gz AAAMATKOUHQGLW-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)on2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088778404 976138403 /nfs/dbraw/zinc/13/84/03/976138403.db2.gz AAAMATKOUHQGLW-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001028021395 976183816 /nfs/dbraw/zinc/18/38/16/976183816.db2.gz QBASWEKLLKGVPL-SBHAEUEKSA-N 1 2 371.456 2.737 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001028021395 976183825 /nfs/dbraw/zinc/18/38/25/976183825.db2.gz QBASWEKLLKGVPL-SBHAEUEKSA-N 1 2 371.456 2.737 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2cncc(F)c2)CC1 ZINC000982134684 977284911 /nfs/dbraw/zinc/28/49/11/977284911.db2.gz FKYKDJDUUZTQSK-OALUTQOASA-N 1 2 361.461 2.626 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2cncc(F)c2)CC1 ZINC000982134684 977284916 /nfs/dbraw/zinc/28/49/16/977284916.db2.gz FKYKDJDUUZTQSK-OALUTQOASA-N 1 2 361.461 2.626 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4ccc(F)cc4O3)[C@@H]2C1 ZINC001076040956 977462370 /nfs/dbraw/zinc/46/23/70/977462370.db2.gz AWDAUBNWSMRGMR-UAGQMJEPSA-N 1 2 364.848 2.805 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4ccc(F)cc4O3)[C@@H]2C1 ZINC001076040956 977462373 /nfs/dbraw/zinc/46/23/73/977462373.db2.gz AWDAUBNWSMRGMR-UAGQMJEPSA-N 1 2 364.848 2.805 20 30 FFEDLO C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cnns2)C1 ZINC001087452776 977710126 /nfs/dbraw/zinc/71/01/26/977710126.db2.gz KMNGSJRLVRYXKN-HZPDHXFCSA-N 1 2 360.458 2.841 20 30 FFEDLO C=C(C)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cnns2)C1 ZINC001087452776 977710128 /nfs/dbraw/zinc/71/01/28/977710128.db2.gz KMNGSJRLVRYXKN-HZPDHXFCSA-N 1 2 360.458 2.841 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccc(F)nc2)C1 ZINC001087453549 977760587 /nfs/dbraw/zinc/76/05/87/977760587.db2.gz ZIXUSIFJEIWOJP-QZTJIDSGSA-N 1 2 355.388 2.581 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccc(F)nc2)C1 ZINC001087453549 977760592 /nfs/dbraw/zinc/76/05/92/977760592.db2.gz ZIXUSIFJEIWOJP-QZTJIDSGSA-N 1 2 355.388 2.581 20 30 FFEDLO N#Cc1cnn2c1[nH]c(C[NH2+][C@@H](c1ccccc1)c1ccccn1)cc2=O ZINC001167926685 978084687 /nfs/dbraw/zinc/08/46/87/978084687.db2.gz CGMAGXGEVMBSBW-IBGZPJMESA-N 1 2 356.389 2.581 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)c4nnc(CC)o4)C[C@H]32)cc1 ZINC001076119139 979126765 /nfs/dbraw/zinc/12/67/65/979126765.db2.gz AUCQSUSBYZUFLR-FHLIZLRMSA-N 1 2 364.449 2.521 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)c4nnc(CC)o4)C[C@H]32)cc1 ZINC001076119139 979126768 /nfs/dbraw/zinc/12/67/68/979126768.db2.gz AUCQSUSBYZUFLR-FHLIZLRMSA-N 1 2 364.449 2.521 20 30 FFEDLO O=C(c1nc(Cl)cs1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076170250 979175549 /nfs/dbraw/zinc/17/55/49/979175549.db2.gz XLTBHMUSMASEBS-JKSUJKDBSA-N 1 2 371.893 2.995 20 30 FFEDLO O=C(c1nc(Cl)cs1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076170250 979175555 /nfs/dbraw/zinc/17/55/55/979175555.db2.gz XLTBHMUSMASEBS-JKSUJKDBSA-N 1 2 371.893 2.995 20 30 FFEDLO CC(F)(F)CC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001076210949 979217620 /nfs/dbraw/zinc/21/76/20/979217620.db2.gz JMBYQWHMFUQQSR-XJKSGUPXSA-N 1 2 351.372 2.775 20 30 FFEDLO CC(F)(F)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001076210949 979217625 /nfs/dbraw/zinc/21/76/25/979217625.db2.gz JMBYQWHMFUQQSR-XJKSGUPXSA-N 1 2 351.372 2.775 20 30 FFEDLO Cc1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(F)ccc4C#N)C[C@H]32)c(C)[nH]1 ZINC001076295932 979340738 /nfs/dbraw/zinc/34/07/38/979340738.db2.gz FKPVWCHMGZPNBS-OXJNMPFZSA-N 1 2 366.440 2.989 20 30 FFEDLO Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(F)ccc4C#N)C[C@H]32)c(C)[nH]1 ZINC001076295932 979340742 /nfs/dbraw/zinc/34/07/42/979340742.db2.gz FKPVWCHMGZPNBS-OXJNMPFZSA-N 1 2 366.440 2.989 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC=C(Cl)Cl)C[C@H]32)cn1 ZINC001076477090 979557987 /nfs/dbraw/zinc/55/79/87/979557987.db2.gz PFDLJHWYNZPYEZ-DZGCQCFKSA-N 1 2 350.249 2.528 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC=C(Cl)Cl)C[C@H]32)cn1 ZINC001076477090 979557993 /nfs/dbraw/zinc/55/79/93/979557993.db2.gz PFDLJHWYNZPYEZ-DZGCQCFKSA-N 1 2 350.249 2.528 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)c2scnc2C)[C@H]1C ZINC001088480441 979792613 /nfs/dbraw/zinc/79/26/13/979792613.db2.gz CZTZKVDGRCEBLJ-CJNGLKHVSA-N 1 2 370.478 2.725 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)c2scnc2C)[C@H]1C ZINC001088480441 979792616 /nfs/dbraw/zinc/79/26/16/979792616.db2.gz CZTZKVDGRCEBLJ-CJNGLKHVSA-N 1 2 370.478 2.725 20 30 FFEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)Cc3ccsc3)CC2)cc1 ZINC001137122573 1014632439 /nfs/dbraw/zinc/63/24/39/1014632439.db2.gz ICKXEXFZUDDJIJ-UHFFFAOYSA-N 1 2 355.463 2.537 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000963443279 1014633810 /nfs/dbraw/zinc/63/38/10/1014633810.db2.gz MGJIWJIPKNBMSQ-XYVMCAHJSA-N 1 2 370.497 2.707 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000963443279 1014633815 /nfs/dbraw/zinc/63/38/15/1014633815.db2.gz MGJIWJIPKNBMSQ-XYVMCAHJSA-N 1 2 370.497 2.707 20 30 FFEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1)C(=O)OC ZINC000877582943 1014634487 /nfs/dbraw/zinc/63/44/87/1014634487.db2.gz IQMRESDXLXDGKO-YVSFHVDLSA-N 1 2 364.486 2.709 20 30 FFEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000668415082 980314764 /nfs/dbraw/zinc/31/47/64/980314764.db2.gz QXGKVTUPZRJSOL-SFHVURJKSA-N 1 2 358.486 2.549 20 30 FFEDLO C=CCC(CC=C)C(=O)NCC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001059854320 980982299 /nfs/dbraw/zinc/98/22/99/980982299.db2.gz FHONMBARRCKDNA-CGTJXYLNSA-N 1 2 370.497 2.636 20 30 FFEDLO C=CCC(CC=C)C(=O)NCC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001059854320 980982303 /nfs/dbraw/zinc/98/23/03/980982303.db2.gz FHONMBARRCKDNA-CGTJXYLNSA-N 1 2 370.497 2.636 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncoc2C(C)C)[C@@H]1C ZINC001088575963 981228543 /nfs/dbraw/zinc/22/85/43/981228543.db2.gz PCDUZPVPBPNGEI-CBZIJGRNSA-N 1 2 361.486 2.858 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncoc2C(C)C)[C@@H]1C ZINC001088575963 981228546 /nfs/dbraw/zinc/22/85/46/981228546.db2.gz PCDUZPVPBPNGEI-CBZIJGRNSA-N 1 2 361.486 2.858 20 30 FFEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907808059 981307919 /nfs/dbraw/zinc/30/79/19/981307919.db2.gz CYHJZKGJVINDFU-VQIMIIECSA-N 1 2 372.513 2.902 20 30 FFEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907808059 981307921 /nfs/dbraw/zinc/30/79/21/981307921.db2.gz CYHJZKGJVINDFU-VQIMIIECSA-N 1 2 372.513 2.902 20 30 FFEDLO CC(=O)[C@](C#N)(CC[NH+]1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000877988062 1014800357 /nfs/dbraw/zinc/80/03/57/1014800357.db2.gz BOCACEHPHPMBSO-JOCHJYFZSA-N 1 2 373.460 2.516 20 30 FFEDLO COCCN(C)c1ccc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cn1 ZINC000897595983 982372328 /nfs/dbraw/zinc/37/23/28/982372328.db2.gz KSRXQJCUNLARHM-FQEVSTJZSA-N 1 2 366.465 2.609 20 30 FFEDLO COCCN(C)c1ccc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cn1 ZINC000897595983 982372337 /nfs/dbraw/zinc/37/23/37/982372337.db2.gz KSRXQJCUNLARHM-FQEVSTJZSA-N 1 2 366.465 2.609 20 30 FFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000912707128 984096476 /nfs/dbraw/zinc/09/64/76/984096476.db2.gz KIHIVGYCXDNFCQ-OTWHNJEPSA-N 1 2 370.497 2.727 20 30 FFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000912707128 984096484 /nfs/dbraw/zinc/09/64/84/984096484.db2.gz KIHIVGYCXDNFCQ-OTWHNJEPSA-N 1 2 370.497 2.727 20 30 FFEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCc2ccn(C)c(=O)c2)[nH+]1 ZINC001168399468 984495394 /nfs/dbraw/zinc/49/53/94/984495394.db2.gz LHFZCRYNQBEOPN-XSVRQMNWSA-N 1 2 360.483 2.582 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC/C=C/CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107545802 984665101 /nfs/dbraw/zinc/66/51/01/984665101.db2.gz NNGZZKZYIIPJTB-XZJTZLQGSA-N 1 2 370.497 2.729 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)sc3C)[C@@H]2C)c1 ZINC001088846619 984978368 /nfs/dbraw/zinc/97/83/68/984978368.db2.gz XVJYRZIEUGTIDU-PXAZEXFGSA-N 1 2 354.479 2.529 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)sc3C)[C@@H]2C)c1 ZINC001088846619 984978371 /nfs/dbraw/zinc/97/83/71/984978371.db2.gz XVJYRZIEUGTIDU-PXAZEXFGSA-N 1 2 354.479 2.529 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc(C)oc2C)[C@@H]1C ZINC001088910753 985430381 /nfs/dbraw/zinc/43/03/81/985430381.db2.gz FHWITNQDKDQVCR-DOEAQHAXSA-N 1 2 361.486 2.742 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)oc2C)[C@@H]1C ZINC001088910753 985430384 /nfs/dbraw/zinc/43/03/84/985430384.db2.gz FHWITNQDKDQVCR-DOEAQHAXSA-N 1 2 361.486 2.742 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+](CN3C[C@@H]([C@H]4CCCO4)CC3=O)CC2)cc1 ZINC000902210346 985571219 /nfs/dbraw/zinc/57/12/19/985571219.db2.gz GZLJJSQPQLBIMC-VQTJNVASSA-N 1 2 351.450 2.632 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C[C@@H]([C@H]4CCCO4)CC3=O)CC2)cc1 ZINC000902210346 985571231 /nfs/dbraw/zinc/57/12/31/985571231.db2.gz GZLJJSQPQLBIMC-VQTJNVASSA-N 1 2 351.450 2.632 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cc3c([nH]2)CCCC3)[C@H]1C ZINC001088963799 985653252 /nfs/dbraw/zinc/65/32/52/985653252.db2.gz WZJJYYIZQRHYNZ-OCCSQVGLSA-N 1 2 366.303 2.995 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cc3c([nH]2)CCCC3)[C@H]1C ZINC001088963799 985653262 /nfs/dbraw/zinc/65/32/62/985653262.db2.gz WZJJYYIZQRHYNZ-OCCSQVGLSA-N 1 2 366.303 2.995 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088997735 985856111 /nfs/dbraw/zinc/85/61/11/985856111.db2.gz HTDOBUSXPJABIC-YGRLFVJLSA-N 1 2 362.792 2.732 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088997735 985856121 /nfs/dbraw/zinc/85/61/21/985856121.db2.gz HTDOBUSXPJABIC-YGRLFVJLSA-N 1 2 362.792 2.732 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2nc(C)cs2)[C@@H]1C ZINC001089006385 985891033 /nfs/dbraw/zinc/89/10/33/985891033.db2.gz BZSNZDHCNPOZLV-QAPCUYQASA-N 1 2 353.491 2.755 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2nc(C)cs2)[C@@H]1C ZINC001089006385 985891044 /nfs/dbraw/zinc/89/10/44/985891044.db2.gz BZSNZDHCNPOZLV-QAPCUYQASA-N 1 2 353.491 2.755 20 30 FFEDLO Cc1cc(C(N)=[NH+]OCc2nnc(-c3ccc(C#N)cc3)o2)ccc1F ZINC000174124863 986093810 /nfs/dbraw/zinc/09/38/10/986093810.db2.gz HDBBSKNCDUNMHV-UHFFFAOYSA-N 1 2 351.341 2.893 20 30 FFEDLO COCc1ncc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@@H]2C)s1 ZINC001089079015 986249861 /nfs/dbraw/zinc/24/98/61/986249861.db2.gz ZUJLUVUVKIFJMD-WBVHZDCISA-N 1 2 369.490 2.534 20 30 FFEDLO COCc1ncc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@@H]2C)s1 ZINC001089079015 986249876 /nfs/dbraw/zinc/24/98/76/986249876.db2.gz ZUJLUVUVKIFJMD-WBVHZDCISA-N 1 2 369.490 2.534 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C2CCOCC2)[C@H]1C ZINC001089087591 986293206 /nfs/dbraw/zinc/29/32/06/986293206.db2.gz ITJOZQLSXFJBIK-GUTXKFCHSA-N 1 2 359.308 2.537 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CCOCC2)[C@H]1C ZINC001089087591 986293211 /nfs/dbraw/zinc/29/32/11/986293211.db2.gz ITJOZQLSXFJBIK-GUTXKFCHSA-N 1 2 359.308 2.537 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(F)cc1 ZINC001032673437 986429534 /nfs/dbraw/zinc/42/95/34/986429534.db2.gz QOMVAOVYYKNENT-MUGJNUQGSA-N 1 2 358.457 2.982 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(F)cc1 ZINC001032673437 986429539 /nfs/dbraw/zinc/42/95/39/986429539.db2.gz QOMVAOVYYKNENT-MUGJNUQGSA-N 1 2 358.457 2.982 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C#N)n(C)c2)c(C)o1 ZINC001272311178 986477864 /nfs/dbraw/zinc/47/78/64/986477864.db2.gz XLRPROHQSUSWDW-CALCHBBNSA-N 1 2 352.438 2.596 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C#N)n(C)c2)c(C)o1 ZINC001272311178 986477867 /nfs/dbraw/zinc/47/78/67/986477867.db2.gz XLRPROHQSUSWDW-CALCHBBNSA-N 1 2 352.438 2.596 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1ncc(C3CC3)o1)CC2 ZINC000992174336 986491516 /nfs/dbraw/zinc/49/15/16/986491516.db2.gz DKEZKZRROVWFHQ-AWQBJMPUSA-N 1 2 371.481 2.756 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1ncc(C3CC3)o1)CC2 ZINC000992174336 986491518 /nfs/dbraw/zinc/49/15/18/986491518.db2.gz DKEZKZRROVWFHQ-AWQBJMPUSA-N 1 2 371.481 2.756 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2OCC[C@H]2CC)CC2(CCOCC2)C1 ZINC001089942716 986497196 /nfs/dbraw/zinc/49/71/96/986497196.db2.gz AUNMTWXUTTZTSP-ZACQAIPSSA-N 1 2 370.921 2.541 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2OCC[C@H]2CC)CC2(CCOCC2)C1 ZINC001089942716 986497199 /nfs/dbraw/zinc/49/71/99/986497199.db2.gz AUNMTWXUTTZTSP-ZACQAIPSSA-N 1 2 370.921 2.541 20 30 FFEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001108002066 986771272 /nfs/dbraw/zinc/77/12/72/986771272.db2.gz UUTSOMYURJNUIF-SVFBPWRDSA-N 1 2 358.482 2.547 20 30 FFEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001108002066 986771281 /nfs/dbraw/zinc/77/12/81/986771281.db2.gz UUTSOMYURJNUIF-SVFBPWRDSA-N 1 2 358.482 2.547 20 30 FFEDLO C/C(=C/C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F)C[NH+]1CCOCC1 ZINC000913782538 986911085 /nfs/dbraw/zinc/91/10/85/986911085.db2.gz WSOADNSVKCNYMV-GQPJMJRUSA-N 1 2 367.371 2.556 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](CCOc2cccc(C)c2)C1 ZINC001031078784 987571994 /nfs/dbraw/zinc/57/19/94/987571994.db2.gz XNNKWNSUYKIOAX-PMACEKPBSA-N 1 2 358.482 2.546 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001061275288 988085950 /nfs/dbraw/zinc/08/59/50/988085950.db2.gz KXVFDPWHYWFSAX-AOIWGVFYSA-N 1 2 358.486 2.584 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001007913321 1015419188 /nfs/dbraw/zinc/41/91/88/1015419188.db2.gz PMLPVIHZBORMRV-SBHAEUEKSA-N 1 2 353.466 2.598 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001007913321 1015419194 /nfs/dbraw/zinc/41/91/94/1015419194.db2.gz PMLPVIHZBORMRV-SBHAEUEKSA-N 1 2 353.466 2.598 20 30 FFEDLO CCCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001212209250 989106613 /nfs/dbraw/zinc/10/66/13/989106613.db2.gz UCDJLIWVNLBLIP-NIKGAXFTSA-N 1 2 361.461 2.839 20 30 FFEDLO CCCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001212209250 989106619 /nfs/dbraw/zinc/10/66/19/989106619.db2.gz UCDJLIWVNLBLIP-NIKGAXFTSA-N 1 2 361.461 2.839 20 30 FFEDLO CO[C@@H]1C[C@@H]2C[N@H+](Cc3cccc(C#N)c3F)Cc3cccnc3N2C1 ZINC000879268802 1015450086 /nfs/dbraw/zinc/45/00/86/1015450086.db2.gz GMSNYGRKCFDJJX-QZTJIDSGSA-N 1 2 352.413 2.702 20 30 FFEDLO CO[C@@H]1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3F)Cc3cccnc3N2C1 ZINC000879268802 1015450091 /nfs/dbraw/zinc/45/00/91/1015450091.db2.gz GMSNYGRKCFDJJX-QZTJIDSGSA-N 1 2 352.413 2.702 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000132815085 989325431 /nfs/dbraw/zinc/32/54/31/989325431.db2.gz NIMWLEJUZPZBCE-WOJBJXKFSA-N 1 2 357.404 2.881 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001033497602 989626435 /nfs/dbraw/zinc/62/64/35/989626435.db2.gz YEOAFJFPJDBEBT-LNLFQRSKSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001033497602 989626440 /nfs/dbraw/zinc/62/64/40/989626440.db2.gz YEOAFJFPJDBEBT-LNLFQRSKSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001034442016 990086490 /nfs/dbraw/zinc/08/64/90/990086490.db2.gz LHGIRAATQWYDQB-LNLFQRSKSA-N 1 2 361.486 2.743 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001034442016 990086498 /nfs/dbraw/zinc/08/64/98/990086498.db2.gz LHGIRAATQWYDQB-LNLFQRSKSA-N 1 2 361.486 2.743 20 30 FFEDLO N#Cc1ccccc1N1CCC(NC(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000879449046 1015540192 /nfs/dbraw/zinc/54/01/92/1015540192.db2.gz GWAJFUVGBVHTLH-UHFFFAOYSA-N 1 2 360.421 2.996 20 30 FFEDLO COc1ccc(CN[NH+]=Cc2c(C)nn3c2[nH]c2ccccc2c3=O)cc1 ZINC000918713336 990478664 /nfs/dbraw/zinc/47/86/64/990478664.db2.gz XUBGPESDCZQGMZ-UHFFFAOYSA-N 1 2 361.405 2.617 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000918814684 990505595 /nfs/dbraw/zinc/50/55/95/990505595.db2.gz GZJHZDFQRPVXGA-UHFFFAOYSA-N 1 2 364.449 2.880 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001061886740 990507773 /nfs/dbraw/zinc/50/77/73/990507773.db2.gz DXLOCORCCIMRCA-FNHZYXHNSA-N 1 2 358.486 2.805 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001062237450 990690254 /nfs/dbraw/zinc/69/02/54/990690254.db2.gz RLFWRANIWMCEAF-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001062237450 990690258 /nfs/dbraw/zinc/69/02/58/990690258.db2.gz RLFWRANIWMCEAF-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C[C@H](NC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000920875900 990929430 /nfs/dbraw/zinc/92/94/30/990929430.db2.gz TXZULNRUPZAPFT-BBWFWOEESA-N 1 2 366.469 2.561 20 30 FFEDLO CC(C)C[N@@H+]1CCO[C@@H](CNC=C2C(=O)CC3(CCCCC3)CC2=O)C1 ZINC000920979696 990947803 /nfs/dbraw/zinc/94/78/03/990947803.db2.gz UWXQWAUFGRCHNP-KRWDZBQOSA-N 1 2 362.514 2.699 20 30 FFEDLO CC(C)C[N@H+]1CCO[C@@H](CNC=C2C(=O)CC3(CCCCC3)CC2=O)C1 ZINC000920979696 990947811 /nfs/dbraw/zinc/94/78/11/990947811.db2.gz UWXQWAUFGRCHNP-KRWDZBQOSA-N 1 2 362.514 2.699 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2sc(NC(=O)c3ccco3)cc2C)C1 ZINC000923589220 991289254 /nfs/dbraw/zinc/28/92/54/991289254.db2.gz OWLDZWMIFWLYLL-CQSZACIVSA-N 1 2 371.462 2.729 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sc(NC(=O)c3ccco3)cc2C)C1 ZINC000923589220 991289263 /nfs/dbraw/zinc/28/92/63/991289263.db2.gz OWLDZWMIFWLYLL-CQSZACIVSA-N 1 2 371.462 2.729 20 30 FFEDLO C#CCN(C(=O)[C@@H]1CCO[C@H]1C=C)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC001483987178 991303659 /nfs/dbraw/zinc/30/36/59/991303659.db2.gz GYCSKILOBOOULR-HPDHUEIVSA-N 1 2 371.308 2.823 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1CNc1cccc(F)c1C#N ZINC001063562463 991511278 /nfs/dbraw/zinc/51/12/78/991511278.db2.gz FKPUILLIJRUEQY-RBSFLKMASA-N 1 2 367.428 2.637 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1OC ZINC001212325372 991685178 /nfs/dbraw/zinc/68/51/78/991685178.db2.gz VFHANIDTWARWMD-IAGOWNOFSA-N 1 2 352.425 2.883 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1OC ZINC001212325372 991685181 /nfs/dbraw/zinc/68/51/81/991685181.db2.gz VFHANIDTWARWMD-IAGOWNOFSA-N 1 2 352.425 2.883 20 30 FFEDLO CC(C)c1cccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)c1 ZINC001083917072 991708600 /nfs/dbraw/zinc/70/86/00/991708600.db2.gz GLTJMTIAWCIBIG-MOPGFXCFSA-N 1 2 369.490 2.718 20 30 FFEDLO CC(C)c1cccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)c1 ZINC001083917072 991708611 /nfs/dbraw/zinc/70/86/11/991708611.db2.gz GLTJMTIAWCIBIG-MOPGFXCFSA-N 1 2 369.490 2.718 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1ccccc1O ZINC001079433030 992113719 /nfs/dbraw/zinc/11/37/19/992113719.db2.gz FYZSFZZTANFRJK-FZKQIMNGSA-N 1 2 353.397 2.653 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1ccccc1O ZINC001079433030 992113724 /nfs/dbraw/zinc/11/37/24/992113724.db2.gz FYZSFZZTANFRJK-FZKQIMNGSA-N 1 2 353.397 2.653 20 30 FFEDLO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)s1 ZINC001079476026 992138150 /nfs/dbraw/zinc/13/81/50/992138150.db2.gz LGVMUPGOHJAUBN-CXAGYDPISA-N 1 2 357.454 2.692 20 30 FFEDLO Cc1ncc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)s1 ZINC001079476026 992138152 /nfs/dbraw/zinc/13/81/52/992138152.db2.gz LGVMUPGOHJAUBN-CXAGYDPISA-N 1 2 357.454 2.692 20 30 FFEDLO Cc1ccn(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001079624580 992271092 /nfs/dbraw/zinc/27/10/92/992271092.db2.gz OIEVDUCZSWHNHX-RDTXWAMCSA-N 1 2 354.429 2.595 20 30 FFEDLO Cc1ccn(C)c1C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001079624580 992271102 /nfs/dbraw/zinc/27/11/02/992271102.db2.gz OIEVDUCZSWHNHX-RDTXWAMCSA-N 1 2 354.429 2.595 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2)C[C@H]1C ZINC001079849921 992531928 /nfs/dbraw/zinc/53/19/28/992531928.db2.gz CLZSCRZVQCOKCI-GDBMZVCRSA-N 1 2 358.873 2.973 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2ccnc(Cl)c2)C[C@H]1C ZINC001079849921 992531934 /nfs/dbraw/zinc/53/19/34/992531934.db2.gz CLZSCRZVQCOKCI-GDBMZVCRSA-N 1 2 358.873 2.973 20 30 FFEDLO Cc1noc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2C)c1C ZINC001079928128 992578996 /nfs/dbraw/zinc/57/89/96/992578996.db2.gz RKJCCEIUVACDIQ-PIGZYNQJSA-N 1 2 356.401 2.553 20 30 FFEDLO Cc1noc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2C)c1C ZINC001079928128 992579004 /nfs/dbraw/zinc/57/90/04/992579004.db2.gz RKJCCEIUVACDIQ-PIGZYNQJSA-N 1 2 356.401 2.553 20 30 FFEDLO COCc1csc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)c1 ZINC001080054363 992680650 /nfs/dbraw/zinc/68/06/50/992680650.db2.gz VBZOZJAHPLUBLN-VQIMIIECSA-N 1 2 368.502 2.996 20 30 FFEDLO COCc1csc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)c1 ZINC001080054363 992680652 /nfs/dbraw/zinc/68/06/52/992680652.db2.gz VBZOZJAHPLUBLN-VQIMIIECSA-N 1 2 368.502 2.996 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3ccc(F)cc3O2)C1 ZINC001080129885 992764820 /nfs/dbraw/zinc/76/48/20/992764820.db2.gz QYJBXBBMJSZSDN-LYRGGWFBSA-N 1 2 352.837 2.708 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3ccc(F)cc3O2)C1 ZINC001080129885 992764826 /nfs/dbraw/zinc/76/48/26/992764826.db2.gz QYJBXBBMJSZSDN-LYRGGWFBSA-N 1 2 352.837 2.708 20 30 FFEDLO Cc1nccnc1[C@@H](C)[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000880106803 1015757607 /nfs/dbraw/zinc/75/76/07/1015757607.db2.gz NICQQBFGBJGEAN-HIFRSBDPSA-N 1 2 358.405 2.673 20 30 FFEDLO Cc1nccnc1[C@H](C)[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000880106805 1015757822 /nfs/dbraw/zinc/75/78/22/1015757822.db2.gz NICQQBFGBJGEAN-ZFWWWQNUSA-N 1 2 358.405 2.673 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001080484178 993091534 /nfs/dbraw/zinc/09/15/34/993091534.db2.gz SVJOTLZCWZCOCX-MSQAHXEGSA-N 1 2 364.287 2.530 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001080484178 993091539 /nfs/dbraw/zinc/09/15/39/993091539.db2.gz SVJOTLZCWZCOCX-MSQAHXEGSA-N 1 2 364.287 2.530 20 30 FFEDLO Cc1c(Cl)c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)nn1C ZINC001080532961 993144576 /nfs/dbraw/zinc/14/45/76/993144576.db2.gz GJVVSPDBMIFEBY-MLGOLLRUSA-N 1 2 371.872 2.504 20 30 FFEDLO Cc1c(Cl)c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)nn1C ZINC001080532961 993144580 /nfs/dbraw/zinc/14/45/80/993144580.db2.gz GJVVSPDBMIFEBY-MLGOLLRUSA-N 1 2 371.872 2.504 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ncc(CC)o2)C[C@H]1C ZINC001080588619 993196652 /nfs/dbraw/zinc/19/66/52/993196652.db2.gz PAQBTQMCWRLHJF-XZKMEQPCSA-N 1 2 361.486 2.545 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ncc(CC)o2)C[C@H]1C ZINC001080588619 993196657 /nfs/dbraw/zinc/19/66/57/993196657.db2.gz PAQBTQMCWRLHJF-XZKMEQPCSA-N 1 2 361.486 2.545 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1coc(CC2CC2)n1 ZINC001080690124 993277585 /nfs/dbraw/zinc/27/75/85/993277585.db2.gz GFIJZEFOPSGJCT-RDTXWAMCSA-N 1 2 364.449 2.749 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1coc(CC2CC2)n1 ZINC001080690124 993277590 /nfs/dbraw/zinc/27/75/90/993277590.db2.gz GFIJZEFOPSGJCT-RDTXWAMCSA-N 1 2 364.449 2.749 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccccc2F)C1 ZINC001080883820 993454864 /nfs/dbraw/zinc/45/48/64/993454864.db2.gz UVDUCYDJYRYHOT-IAQYHMDHSA-N 1 2 355.251 2.713 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccccc2F)C1 ZINC001080883820 993454866 /nfs/dbraw/zinc/45/48/66/993454866.db2.gz UVDUCYDJYRYHOT-IAQYHMDHSA-N 1 2 355.251 2.713 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)sc1C ZINC001080966079 993521285 /nfs/dbraw/zinc/52/12/85/993521285.db2.gz ISBVZPXYUCWAQY-SJKOYZFVSA-N 1 2 354.479 2.882 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)sc1C ZINC001080966079 993521294 /nfs/dbraw/zinc/52/12/94/993521294.db2.gz ISBVZPXYUCWAQY-SJKOYZFVSA-N 1 2 354.479 2.882 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]Cc3nc(C)no3)C2)C1 ZINC001081177066 993737914 /nfs/dbraw/zinc/73/79/14/993737914.db2.gz YNMRPCUKFDFDSQ-ZWKOTPCHSA-N 1 2 366.465 2.819 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)CC1=CCCCC1 ZINC001081443372 993849286 /nfs/dbraw/zinc/84/92/86/993849286.db2.gz AZULZUDMTDBALF-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)CC1=CCCCC1 ZINC001081443372 993849294 /nfs/dbraw/zinc/84/92/94/993849294.db2.gz AZULZUDMTDBALF-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1=CCCCCC1 ZINC001081591512 993903284 /nfs/dbraw/zinc/90/32/84/993903284.db2.gz ZJJTWZMPFOMQDE-NHCUHLMSSA-N 1 2 352.478 2.744 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1=CCCCCC1 ZINC001081591512 993903294 /nfs/dbraw/zinc/90/32/94/993903294.db2.gz ZJJTWZMPFOMQDE-NHCUHLMSSA-N 1 2 352.478 2.744 20 30 FFEDLO CCc1ccccc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001082074029 994146925 /nfs/dbraw/zinc/14/69/25/994146925.db2.gz GRHGAJFUWXNYOL-FGZHOGPDSA-N 1 2 362.473 2.730 20 30 FFEDLO CCc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001082074029 994146933 /nfs/dbraw/zinc/14/69/33/994146933.db2.gz GRHGAJFUWXNYOL-FGZHOGPDSA-N 1 2 362.473 2.730 20 30 FFEDLO C#CC[C@@]1(C(=O)OCc2cc[nH+]c(N)c2)CCCN1C(=O)OC(C)(C)C ZINC000808594061 994182104 /nfs/dbraw/zinc/18/21/04/994182104.db2.gz DDQQNBUONJGCJL-IBGZPJMESA-N 1 2 359.426 2.500 20 30 FFEDLO C#CC[C@]1(C(=O)OCc2cc[nH+]c(N)c2)CCCN1C(=O)OC(C)(C)C ZINC000808594062 994182557 /nfs/dbraw/zinc/18/25/57/994182557.db2.gz DDQQNBUONJGCJL-LJQANCHMSA-N 1 2 359.426 2.500 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H](C)c1ccccc1 ZINC001082330519 994373987 /nfs/dbraw/zinc/37/39/87/994373987.db2.gz ZGMMNMCPIZSOEJ-ZLGUVYLKSA-N 1 2 363.461 2.677 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H](C)c1ccccc1 ZINC001082330519 994373993 /nfs/dbraw/zinc/37/39/93/994373993.db2.gz ZGMMNMCPIZSOEJ-ZLGUVYLKSA-N 1 2 363.461 2.677 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1CCC=CCC1 ZINC001082374652 994478100 /nfs/dbraw/zinc/47/81/00/994478100.db2.gz LNEZUJXWSYOCHT-NHCUHLMSSA-N 1 2 352.478 2.600 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1CCC=CCC1 ZINC001082374652 994478105 /nfs/dbraw/zinc/47/81/05/994478105.db2.gz LNEZUJXWSYOCHT-NHCUHLMSSA-N 1 2 352.478 2.600 20 30 FFEDLO COc1ccc(C[N@H+](CCO)CC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000880571718 1015875753 /nfs/dbraw/zinc/87/57/53/1015875753.db2.gz YGROGGNUYSFIJT-UHFFFAOYSA-N 1 2 373.478 2.678 20 30 FFEDLO COc1ccc(C[N@@H+](CCO)CC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000880571718 1015875764 /nfs/dbraw/zinc/87/57/64/1015875764.db2.gz YGROGGNUYSFIJT-UHFFFAOYSA-N 1 2 373.478 2.678 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCO[C@H]1c1ccccc1)CO2 ZINC001053832625 1015888301 /nfs/dbraw/zinc/88/83/01/1015888301.db2.gz MGVFDVUVWUUTKQ-ZCNNSNEGSA-N 1 2 370.493 2.690 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(CCCC)no3)C2)cc1 ZINC001082678188 995253839 /nfs/dbraw/zinc/25/38/39/995253839.db2.gz CZMBROFXFRBQRC-CRAIPNDOSA-N 1 2 366.465 2.644 20 30 FFEDLO CC1(CC(=O)N2CCO[C@@H]3C[N@H+](CC#Cc4ccccc4)C[C@@H]32)CCCC1 ZINC001083073000 996027321 /nfs/dbraw/zinc/02/73/21/996027321.db2.gz JZZWZWZXZNTBHL-LEWJYISDSA-N 1 2 366.505 2.920 20 30 FFEDLO CC1(CC(=O)N2CCO[C@@H]3C[N@@H+](CC#Cc4ccccc4)C[C@@H]32)CCCC1 ZINC001083073000 996027327 /nfs/dbraw/zinc/02/73/27/996027327.db2.gz JZZWZWZXZNTBHL-LEWJYISDSA-N 1 2 366.505 2.920 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3csc4cc(C)ccc34)[C@H]2C1 ZINC001083093397 996080192 /nfs/dbraw/zinc/08/01/92/996080192.db2.gz HJMKOAWCOPVJFZ-ZWKOTPCHSA-N 1 2 354.475 2.758 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3csc4cc(C)ccc34)[C@H]2C1 ZINC001083093397 996080197 /nfs/dbraw/zinc/08/01/97/996080197.db2.gz HJMKOAWCOPVJFZ-ZWKOTPCHSA-N 1 2 354.475 2.758 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H](F)CC)C[C@@H]32)cc1 ZINC001083123660 996089169 /nfs/dbraw/zinc/08/91/69/996089169.db2.gz MUCLXDFVJXDPFB-YTQUADARSA-N 1 2 362.445 2.525 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H](F)CC)C[C@@H]32)cc1 ZINC001083123660 996089173 /nfs/dbraw/zinc/08/91/73/996089173.db2.gz MUCLXDFVJXDPFB-YTQUADARSA-N 1 2 362.445 2.525 20 30 FFEDLO CC1(C)CCCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001084126883 996264916 /nfs/dbraw/zinc/26/49/16/996264916.db2.gz MSUZZQHJMHCAAF-NJYVYQBISA-N 1 2 368.521 2.806 20 30 FFEDLO CC1(C)CCCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001084126883 996264921 /nfs/dbraw/zinc/26/49/21/996264921.db2.gz MSUZZQHJMHCAAF-NJYVYQBISA-N 1 2 368.521 2.806 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1coc(C)n1 ZINC001049488694 1016019395 /nfs/dbraw/zinc/01/93/95/1016019395.db2.gz ZXTSJTCKLDAKAS-YRXWBPOGSA-N 1 2 359.470 2.530 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1coc(C)n1 ZINC001049488694 1016019401 /nfs/dbraw/zinc/01/94/01/1016019401.db2.gz ZXTSJTCKLDAKAS-YRXWBPOGSA-N 1 2 359.470 2.530 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cccs4)[C@@H]3C2)cc1C#N ZINC001084165306 996295618 /nfs/dbraw/zinc/29/56/18/996295618.db2.gz POBWTGBFLRVOIH-NVXWUHKLSA-N 1 2 367.474 2.975 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cccs4)[C@@H]3C2)cc1C#N ZINC001084165306 996295623 /nfs/dbraw/zinc/29/56/23/996295623.db2.gz POBWTGBFLRVOIH-NVXWUHKLSA-N 1 2 367.474 2.975 20 30 FFEDLO Cc1cccc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)n1 ZINC001084195124 996327742 /nfs/dbraw/zinc/32/77/42/996327742.db2.gz UCBXKHOYSYCMEB-WIYYLYMNSA-N 1 2 363.436 2.727 20 30 FFEDLO Cc1cccc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)n1 ZINC001084195124 996327749 /nfs/dbraw/zinc/32/77/49/996327749.db2.gz UCBXKHOYSYCMEB-WIYYLYMNSA-N 1 2 363.436 2.727 20 30 FFEDLO Cc1ocnc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084221271 996369139 /nfs/dbraw/zinc/36/91/39/996369139.db2.gz NVKDFMQAXWGELU-SJLPKXTDSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1ocnc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084221271 996369146 /nfs/dbraw/zinc/36/91/46/996369146.db2.gz NVKDFMQAXWGELU-SJLPKXTDSA-N 1 2 369.852 2.834 20 30 FFEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(F)cc(F)c4)C[C@H]32)c[nH]1 ZINC001084288891 996395397 /nfs/dbraw/zinc/39/53/97/996395397.db2.gz GIMMIPGWFLCMFT-FZKQIMNGSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(F)cc(F)c4)C[C@H]32)c[nH]1 ZINC001084288891 996395400 /nfs/dbraw/zinc/39/54/00/996395400.db2.gz GIMMIPGWFLCMFT-FZKQIMNGSA-N 1 2 356.376 2.511 20 30 FFEDLO Cc1nscc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084292946 996398240 /nfs/dbraw/zinc/39/82/40/996398240.db2.gz TXVRHHNZCHEBIK-VQIMIIECSA-N 1 2 369.465 2.789 20 30 FFEDLO Cc1nscc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084292946 996398246 /nfs/dbraw/zinc/39/82/46/996398246.db2.gz TXVRHHNZCHEBIK-VQIMIIECSA-N 1 2 369.465 2.789 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)/C=C/c4ccc[nH]4)[C@@H]3C2)c1 ZINC001084305609 996437735 /nfs/dbraw/zinc/43/77/35/996437735.db2.gz RJXZULTWHGUILD-CVTZPFNJSA-N 1 2 364.424 2.772 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)/C=C/c4ccc[nH]4)[C@@H]3C2)c1 ZINC001084305609 996437739 /nfs/dbraw/zinc/43/77/39/996437739.db2.gz RJXZULTWHGUILD-CVTZPFNJSA-N 1 2 364.424 2.772 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)cc1Cl ZINC001084333828 996463430 /nfs/dbraw/zinc/46/34/30/996463430.db2.gz BKRFLUGGIIKFQO-SJLPKXTDSA-N 1 2 358.869 2.795 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)cc1Cl ZINC001084333828 996463432 /nfs/dbraw/zinc/46/34/32/996463432.db2.gz BKRFLUGGIIKFQO-SJLPKXTDSA-N 1 2 358.869 2.795 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4ccc(F)cc4O3)[C@@H]2C1 ZINC001084518817 996639124 /nfs/dbraw/zinc/63/91/24/996639124.db2.gz LUKWHULSQBSAJK-DJIMGWMZSA-N 1 2 364.848 2.805 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4ccc(F)cc4O3)[C@@H]2C1 ZINC001084518817 996639129 /nfs/dbraw/zinc/63/91/29/996639129.db2.gz LUKWHULSQBSAJK-DJIMGWMZSA-N 1 2 364.848 2.805 20 30 FFEDLO Cc1cnc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)c(C)c1 ZINC001084537023 996657790 /nfs/dbraw/zinc/65/77/90/996657790.db2.gz DABNKWWKGZFURP-NHCUHLMSSA-N 1 2 359.473 2.896 20 30 FFEDLO Cc1cnc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)c(C)c1 ZINC001084537023 996657793 /nfs/dbraw/zinc/65/77/93/996657793.db2.gz DABNKWWKGZFURP-NHCUHLMSSA-N 1 2 359.473 2.896 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cccc5n[nH]cc54)[C@@H]3C2)cc1 ZINC001084565377 996679114 /nfs/dbraw/zinc/67/91/14/996679114.db2.gz AFWAJBZSOJZYAZ-DYESRHJHSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cccc5n[nH]cc54)[C@@H]3C2)cc1 ZINC001084565377 996679116 /nfs/dbraw/zinc/67/91/16/996679116.db2.gz AFWAJBZSOJZYAZ-DYESRHJHSA-N 1 2 371.444 2.781 20 30 FFEDLO Cc1cocc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084584231 996697284 /nfs/dbraw/zinc/69/72/84/996697284.db2.gz NVGWOAPGNPHDKF-VQIMIIECSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1cocc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084584231 996697296 /nfs/dbraw/zinc/69/72/96/996697296.db2.gz NVGWOAPGNPHDKF-VQIMIIECSA-N 1 2 353.397 2.945 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@H+](CC(=O)Nc4ccccc4)C[C@H]32)CC1 ZINC001084634527 996748169 /nfs/dbraw/zinc/74/81/69/996748169.db2.gz VNOHMWADRMSREL-UYAOXDASSA-N 1 2 367.493 2.904 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)Nc4ccccc4)C[C@H]32)CC1 ZINC001084634527 996748174 /nfs/dbraw/zinc/74/81/74/996748174.db2.gz VNOHMWADRMSREL-UYAOXDASSA-N 1 2 367.493 2.904 20 30 FFEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)oc3C)C[C@H]21 ZINC001084799357 997425212 /nfs/dbraw/zinc/42/52/12/997425212.db2.gz FJUFWQUNYALSLI-TZIWHRDSSA-N 1 2 363.461 2.548 20 30 FFEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)oc3C)C[C@H]21 ZINC001084799357 997425223 /nfs/dbraw/zinc/42/52/23/997425223.db2.gz FJUFWQUNYALSLI-TZIWHRDSSA-N 1 2 363.461 2.548 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)c(C)n1C ZINC001084820719 997529133 /nfs/dbraw/zinc/52/91/33/997529133.db2.gz LKPPVGHGBFRHOB-TZIWHRDSSA-N 1 2 362.477 2.860 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)c(C)n1C ZINC001084820719 997529146 /nfs/dbraw/zinc/52/91/46/997529146.db2.gz LKPPVGHGBFRHOB-TZIWHRDSSA-N 1 2 362.477 2.860 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(N(C)C(C)=O)cc3)[C@@H]2C1 ZINC001084860745 997704706 /nfs/dbraw/zinc/70/47/06/997704706.db2.gz DTNGCSZURCKJCF-SJLPKXTDSA-N 1 2 361.873 2.568 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N(C)C(C)=O)cc3)[C@@H]2C1 ZINC001084860745 997704710 /nfs/dbraw/zinc/70/47/10/997704710.db2.gz DTNGCSZURCKJCF-SJLPKXTDSA-N 1 2 361.873 2.568 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001056452088 1016150705 /nfs/dbraw/zinc/15/07/05/1016150705.db2.gz DIXGJLBYDWRLMB-XYVMCAHJSA-N 1 2 370.497 2.707 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001056452088 1016150711 /nfs/dbraw/zinc/15/07/11/1016150711.db2.gz DIXGJLBYDWRLMB-XYVMCAHJSA-N 1 2 370.497 2.707 20 30 FFEDLO N#Cc1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)ccc1C1CC1 ZINC000881121792 1016152113 /nfs/dbraw/zinc/15/21/13/1016152113.db2.gz QMKSHBYCTRSQIM-SFHVURJKSA-N 1 2 354.454 2.764 20 30 FFEDLO CCN(Cc1cncc(C#N)c1)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001144085888 997986777 /nfs/dbraw/zinc/98/67/77/997986777.db2.gz JATPGMFFJHZDJI-NRFANRHFSA-N 1 2 350.466 2.676 20 30 FFEDLO CCN(Cc1cncc(C#N)c1)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001144085888 997986786 /nfs/dbraw/zinc/98/67/86/997986786.db2.gz JATPGMFFJHZDJI-NRFANRHFSA-N 1 2 350.466 2.676 20 30 FFEDLO C=CCCOCC(=O)N1C[C@@H](C)[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001090987443 998018500 /nfs/dbraw/zinc/01/85/00/998018500.db2.gz XDIIRMIMPFKNBT-RDTXWAMCSA-N 1 2 358.486 2.515 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](C)[C@H](Nc2[nH+]c(C)nc(-n3cccn3)c2C)C1 ZINC001091019117 998186731 /nfs/dbraw/zinc/18/67/31/998186731.db2.gz XXNKYCJEXUHGPW-RHSMWYFYSA-N 1 2 368.485 2.894 20 30 FFEDLO C#Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000731866362 998309303 /nfs/dbraw/zinc/30/93/03/998309303.db2.gz GOZAWFLWLJWYSU-INIZCTEOSA-N 1 2 351.425 2.956 20 30 FFEDLO C=C(Cc1ccccc1)C(=O)N1CCc2c(C[N@H+](C)C(C)C)n[nH]c2C1 ZINC001144390267 998435741 /nfs/dbraw/zinc/43/57/41/998435741.db2.gz MZMRUCGEIVWNTJ-UHFFFAOYSA-N 1 2 352.482 2.934 20 30 FFEDLO C[C@H](CC(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)n1cc[nH+]c1 ZINC000845281698 998464829 /nfs/dbraw/zinc/46/48/29/998464829.db2.gz RIYAALHSDRUCNL-VXGBXAGGSA-N 1 2 372.450 2.826 20 30 FFEDLO CC[NH+](CC)[C@H](C(=O)OCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000732348437 998624579 /nfs/dbraw/zinc/62/45/79/998624579.db2.gz LMOIJOVUQNEVFU-IBGZPJMESA-N 1 2 371.481 2.955 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(C)n4CCC)[C@H]3C2)C1 ZINC001085026907 998711805 /nfs/dbraw/zinc/71/18/05/998711805.db2.gz ACAWJPZXTYLHRL-MSOLQXFVSA-N 1 2 371.529 2.776 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc(C)n4CCC)[C@H]3C2)C1 ZINC001085026907 998711807 /nfs/dbraw/zinc/71/18/07/998711807.db2.gz ACAWJPZXTYLHRL-MSOLQXFVSA-N 1 2 371.529 2.776 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(C)n4C4CC4)[C@H]3C2)C1 ZINC001085027126 998712709 /nfs/dbraw/zinc/71/27/09/998712709.db2.gz MYBMDSYLDSNZNY-AEFFLSMTSA-N 1 2 369.513 2.701 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc(C)n4C4CC4)[C@H]3C2)C1 ZINC001085027126 998712712 /nfs/dbraw/zinc/71/27/12/998712712.db2.gz MYBMDSYLDSNZNY-AEFFLSMTSA-N 1 2 369.513 2.701 20 30 FFEDLO C#CCCCCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066277227 999576752 /nfs/dbraw/zinc/57/67/52/999576752.db2.gz BZCOSDXJQRGNJQ-KZNAEPCWSA-N 1 2 370.497 2.594 20 30 FFEDLO C#CCCCCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066277227 999576757 /nfs/dbraw/zinc/57/67/57/999576757.db2.gz BZCOSDXJQRGNJQ-KZNAEPCWSA-N 1 2 370.497 2.594 20 30 FFEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001085731044 999618283 /nfs/dbraw/zinc/61/82/83/999618283.db2.gz PIAVBFNRDGJYOU-ZNWBIBPKSA-N 1 2 371.456 2.545 20 30 FFEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001085731044 999618284 /nfs/dbraw/zinc/61/82/84/999618284.db2.gz PIAVBFNRDGJYOU-ZNWBIBPKSA-N 1 2 371.456 2.545 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC#Cc2ccc(Cl)cc2)O1 ZINC001085826064 999642704 /nfs/dbraw/zinc/64/27/04/999642704.db2.gz DAQOOEJMHFMEMI-ATZDWAIDSA-N 1 2 360.885 2.792 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC#Cc2ccc(Cl)cc2)O1 ZINC001085826064 999642707 /nfs/dbraw/zinc/64/27/07/999642707.db2.gz DAQOOEJMHFMEMI-ATZDWAIDSA-N 1 2 360.885 2.792 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1oc(CCC)nc1C ZINC001085823279 999644379 /nfs/dbraw/zinc/64/43/79/999644379.db2.gz FAIRPWUFQRMLEN-ZACQAIPSSA-N 1 2 361.486 2.559 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1oc(CCC)nc1C ZINC001085823279 999644382 /nfs/dbraw/zinc/64/43/82/999644382.db2.gz FAIRPWUFQRMLEN-ZACQAIPSSA-N 1 2 361.486 2.559 20 30 FFEDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000744139809 999844339 /nfs/dbraw/zinc/84/43/39/999844339.db2.gz KVPDAYXIAVTURB-QGZVFWFLSA-N 1 2 353.426 2.590 20 30 FFEDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000744139809 999844343 /nfs/dbraw/zinc/84/43/43/999844343.db2.gz KVPDAYXIAVTURB-QGZVFWFLSA-N 1 2 353.426 2.590 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC001108268169 999860728 /nfs/dbraw/zinc/86/07/28/999860728.db2.gz UIIIURWQZQATKN-NLWGTHIKSA-N 1 2 360.885 2.674 20 30 FFEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC001108268169 999860731 /nfs/dbraw/zinc/86/07/31/999860731.db2.gz UIIIURWQZQATKN-NLWGTHIKSA-N 1 2 360.885 2.674 20 30 FFEDLO C#CC[N@@H+](CC)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 ZINC000746456860 999993733 /nfs/dbraw/zinc/99/37/33/999993733.db2.gz OHSKGPVEFOYCOL-UHFFFAOYSA-N 1 2 364.449 2.868 20 30 FFEDLO C#CC[N@H+](CC)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 ZINC000746456860 999993735 /nfs/dbraw/zinc/99/37/35/999993735.db2.gz OHSKGPVEFOYCOL-UHFFFAOYSA-N 1 2 364.449 2.868 20 30 FFEDLO C#CCNC(=O)C[N@H+](Cc1ccccc1)[C@H]1CCOc2ccc(OC)cc21 ZINC000741802299 1000122479 /nfs/dbraw/zinc/12/24/79/1000122479.db2.gz SSAULGHCBCRFAX-FQEVSTJZSA-N 1 2 364.445 2.770 20 30 FFEDLO C#CCNC(=O)C[N@@H+](Cc1ccccc1)[C@H]1CCOc2ccc(OC)cc21 ZINC000741802299 1000122481 /nfs/dbraw/zinc/12/24/81/1000122481.db2.gz SSAULGHCBCRFAX-FQEVSTJZSA-N 1 2 364.445 2.770 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC(C)C)C3)c1 ZINC001108918943 1000129861 /nfs/dbraw/zinc/12/98/61/1000129861.db2.gz MLBMHKPCJNMORQ-AABGKKOBSA-N 1 2 367.493 2.764 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC(C)C)C3)c1 ZINC001108918943 1000129862 /nfs/dbraw/zinc/12/98/62/1000129862.db2.gz MLBMHKPCJNMORQ-AABGKKOBSA-N 1 2 367.493 2.764 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1 ZINC000767741580 1000140863 /nfs/dbraw/zinc/14/08/63/1000140863.db2.gz NAYRCROHONMRCQ-UHFFFAOYSA-N 1 2 373.416 2.868 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1 ZINC000767741580 1000140864 /nfs/dbraw/zinc/14/08/64/1000140864.db2.gz NAYRCROHONMRCQ-UHFFFAOYSA-N 1 2 373.416 2.868 20 30 FFEDLO CC(C)COCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001108973732 1000141244 /nfs/dbraw/zinc/14/12/44/1000141244.db2.gz STPVKHBQQVVBLT-HOJAQTOUSA-N 1 2 373.472 2.982 20 30 FFEDLO CC(C)COCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001108973732 1000141245 /nfs/dbraw/zinc/14/12/45/1000141245.db2.gz STPVKHBQQVVBLT-HOJAQTOUSA-N 1 2 373.472 2.982 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109027872 1000152440 /nfs/dbraw/zinc/15/24/40/1000152440.db2.gz ANGRLVNFVXTRTQ-KGFWFAMKSA-N 1 2 371.456 2.734 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109027872 1000152441 /nfs/dbraw/zinc/15/24/41/1000152441.db2.gz ANGRLVNFVXTRTQ-KGFWFAMKSA-N 1 2 371.456 2.734 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(C)c(C)c1 ZINC001109045977 1000155270 /nfs/dbraw/zinc/15/52/70/1000155270.db2.gz GKGAJCXUZHBKFL-QYZOEREBSA-N 1 2 355.482 2.930 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(C)c(C)c1 ZINC001109045977 1000155271 /nfs/dbraw/zinc/15/52/71/1000155271.db2.gz GKGAJCXUZHBKFL-QYZOEREBSA-N 1 2 355.482 2.930 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1cc(F)ccc1F ZINC001109065789 1000158368 /nfs/dbraw/zinc/15/83/68/1000158368.db2.gz PAVRCHVRLGHVTM-NMVRNDPTSA-N 1 2 350.409 2.950 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1cc(F)ccc1F ZINC001109065789 1000158369 /nfs/dbraw/zinc/15/83/69/1000158369.db2.gz PAVRCHVRLGHVTM-NMVRNDPTSA-N 1 2 350.409 2.950 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[C@H]2CCOC2)C3)c1 ZINC001109143502 1000176828 /nfs/dbraw/zinc/17/68/28/1000176828.db2.gz AYQHXBPYAMZTNV-KTGNWYGMSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[C@H]2CCOC2)C3)c1 ZINC001109143502 1000176830 /nfs/dbraw/zinc/17/68/30/1000176830.db2.gz AYQHXBPYAMZTNV-KTGNWYGMSA-N 1 2 371.456 2.736 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)coc1C)C2 ZINC001109220471 1000192543 /nfs/dbraw/zinc/19/25/43/1000192543.db2.gz TXCQVESNHAZHAG-SQNIBIBYSA-N 1 2 373.497 2.656 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)coc1C)C2 ZINC001109220471 1000192544 /nfs/dbraw/zinc/19/25/44/1000192544.db2.gz TXCQVESNHAZHAG-SQNIBIBYSA-N 1 2 373.497 2.656 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccoc1CC)C2 ZINC001109221817 1000192795 /nfs/dbraw/zinc/19/27/95/1000192795.db2.gz AGTXOSHAKPKCCX-NJAFHUGGSA-N 1 2 373.497 2.602 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccoc1CC)C2 ZINC001109221817 1000192796 /nfs/dbraw/zinc/19/27/96/1000192796.db2.gz AGTXOSHAKPKCCX-NJAFHUGGSA-N 1 2 373.497 2.602 20 30 FFEDLO CC(C)(C)C(=O)C[NH+]1CCC(NC(=O)/C=C/C(=O)c2ccccc2)CC1 ZINC001144714149 1000204042 /nfs/dbraw/zinc/20/40/42/1000204042.db2.gz AJURTRLGUWNCRN-MDZDMXLPSA-N 1 2 356.466 2.621 20 30 FFEDLO CCCCCC[C@@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109259501 1000204490 /nfs/dbraw/zinc/20/44/90/1000204490.db2.gz GNRFMJRCMHYOLA-LMCOJAPRSA-N 1 2 373.541 2.596 20 30 FFEDLO CCCCCC[C@@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109259501 1000204493 /nfs/dbraw/zinc/20/44/93/1000204493.db2.gz GNRFMJRCMHYOLA-LMCOJAPRSA-N 1 2 373.541 2.596 20 30 FFEDLO COCC1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)CC1 ZINC001109262254 1000218735 /nfs/dbraw/zinc/21/87/35/1000218735.db2.gz GUUWLTNWQGVFHR-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO COCC1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)CC1 ZINC001109262254 1000218741 /nfs/dbraw/zinc/21/87/41/1000218741.db2.gz GUUWLTNWQGVFHR-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001109283719 1000226158 /nfs/dbraw/zinc/22/61/58/1000226158.db2.gz CYDOOJFHRMJFEC-ZACQAIPSSA-N 1 2 360.502 2.831 20 30 FFEDLO C[C@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC001144781851 1000275985 /nfs/dbraw/zinc/27/59/85/1000275985.db2.gz VPNXWXFJBFAAAO-QWRGUYRKSA-N 1 2 356.253 2.704 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)o1)OCC ZINC001109357458 1000302907 /nfs/dbraw/zinc/30/29/07/1000302907.db2.gz IMIUVOASTFUVPK-VSZNYVQBSA-N 1 2 361.486 2.884 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)o1)OCC ZINC001109357458 1000302911 /nfs/dbraw/zinc/30/29/11/1000302911.db2.gz IMIUVOASTFUVPK-VSZNYVQBSA-N 1 2 361.486 2.884 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCCc1cccc(F)c1)C2 ZINC001109379082 1000352821 /nfs/dbraw/zinc/35/28/21/1000352821.db2.gz JSQBMUNDSMYKJP-SQNIBIBYSA-N 1 2 366.864 2.859 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCCc1cccc(F)c1)C2 ZINC001109379082 1000352825 /nfs/dbraw/zinc/35/28/25/1000352825.db2.gz JSQBMUNDSMYKJP-SQNIBIBYSA-N 1 2 366.864 2.859 20 30 FFEDLO N#Cc1cnc(N[C@@H]2CCCC[C@H]2NC(=O)CCCn2cc[nH+]c2)c(F)c1 ZINC001091264240 1000354611 /nfs/dbraw/zinc/35/46/11/1000354611.db2.gz UKXBBYMXLKWWDI-IAGOWNOFSA-N 1 2 370.432 2.609 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC=C(Cl)Cl)CCOCC1 ZINC001109391123 1000379822 /nfs/dbraw/zinc/37/98/22/1000379822.db2.gz RXMNBWLQLWAIFG-ILXRZTDVSA-N 1 2 371.308 2.847 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC=C(Cl)Cl)CCOCC1 ZINC001109391123 1000379826 /nfs/dbraw/zinc/37/98/26/1000379826.db2.gz RXMNBWLQLWAIFG-ILXRZTDVSA-N 1 2 371.308 2.847 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H](CNc3[nH+]cnc4c3cnn4C)[C@H](C)C2)CC1 ZINC001054551097 1016409149 /nfs/dbraw/zinc/40/91/49/1016409149.db2.gz OPTCKOJYSRCMKC-GDBMZVCRSA-N 1 2 368.485 2.616 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC([C@@H](O)c3ccc(OC)cc3)CC2)nn1 ZINC000846915862 1000488311 /nfs/dbraw/zinc/48/83/11/1000488311.db2.gz ZCSCETJGBPPKTI-FQEVSTJZSA-N 1 2 356.470 2.808 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC001054576346 1016430995 /nfs/dbraw/zinc/43/09/95/1016430995.db2.gz HXBGOMQNFNTDMG-PILAGYSTSA-N 1 2 370.497 2.760 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@H+]([C@@H](C)c2ncc(C)o2)CC1 ZINC001000696705 1016437363 /nfs/dbraw/zinc/43/73/63/1016437363.db2.gz SEUJHZZEJOKWPZ-JQHSSLGASA-N 1 2 359.470 2.774 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@@H](C)c2ncc(C)o2)CC1 ZINC001000696705 1016437371 /nfs/dbraw/zinc/43/73/71/1016437371.db2.gz SEUJHZZEJOKWPZ-JQHSSLGASA-N 1 2 359.470 2.774 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1 ZINC001109634333 1000734541 /nfs/dbraw/zinc/73/45/41/1000734541.db2.gz JZGIIZPJRIFONH-YSHGAJCASA-N 1 2 355.482 2.949 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1 ZINC001109634333 1000734545 /nfs/dbraw/zinc/73/45/45/1000734545.db2.gz JZGIIZPJRIFONH-YSHGAJCASA-N 1 2 355.482 2.949 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[C@@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001091632264 1000894973 /nfs/dbraw/zinc/89/49/73/1000894973.db2.gz NAYBIFNMFJKISV-GCKMJXCFSA-N 1 2 371.529 2.764 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[C@@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001091632264 1000894980 /nfs/dbraw/zinc/89/49/80/1000894980.db2.gz NAYBIFNMFJKISV-GCKMJXCFSA-N 1 2 371.529 2.764 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091637736 1000917422 /nfs/dbraw/zinc/91/74/22/1000917422.db2.gz BIYFTEHAHDJGIM-IQUTYRLHSA-N 1 2 356.474 2.662 20 30 FFEDLO Cc1nc(N[C@@H]2CC[C@H](CNC(=O)C[C@H](C)n3cc[nH+]c3)C2)ccc1C#N ZINC001091643683 1000936948 /nfs/dbraw/zinc/93/69/48/1000936948.db2.gz OMMQXDJJQDXRIA-QILLFSRXSA-N 1 2 366.469 2.806 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1CCC[C@@H](C)[C@H]1CCCNc1cc[nH+]c(C)n1 ZINC001091705222 1001111067 /nfs/dbraw/zinc/11/10/67/1001111067.db2.gz NMCYAFOPBQRZOC-JFIYKMOQSA-N 1 2 358.486 2.643 20 30 FFEDLO C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1CCCNc1ccc(C#N)cn1 ZINC001091706326 1001114350 /nfs/dbraw/zinc/11/43/50/1001114350.db2.gz HKXHCQOZBMJIPB-NVXWUHKLSA-N 1 2 366.469 2.738 20 30 FFEDLO C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1CCCNc1ncccc1C#N ZINC001091706203 1001114401 /nfs/dbraw/zinc/11/44/01/1001114401.db2.gz CAGVBOUIRLKKKH-NVXWUHKLSA-N 1 2 366.469 2.738 20 30 FFEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CNc1cccc(F)c1C#N ZINC001054673892 1016471840 /nfs/dbraw/zinc/47/18/40/1016471840.db2.gz DUWOHNCLIDTMEO-ZIAGYGMSSA-N 1 2 355.417 2.560 20 30 FFEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CNc1cccc(F)c1C#N ZINC001054673892 1016471848 /nfs/dbraw/zinc/47/18/48/1016471848.db2.gz DUWOHNCLIDTMEO-ZIAGYGMSSA-N 1 2 355.417 2.560 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3sccc3c1)C2 ZINC001109915052 1001140320 /nfs/dbraw/zinc/14/03/20/1001140320.db2.gz GCKOMUOTCGWTGE-IKGGRYGDSA-N 1 2 369.490 2.539 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3sccc3c1)C2 ZINC001109915052 1001140323 /nfs/dbraw/zinc/14/03/23/1001140323.db2.gz GCKOMUOTCGWTGE-IKGGRYGDSA-N 1 2 369.490 2.539 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CCN(c3cc[nH+]c(OC)c3)CC2)cc1 ZINC001148463936 1001147763 /nfs/dbraw/zinc/14/77/63/1001147763.db2.gz SWNLCLLPEJIGBN-UHFFFAOYSA-N 1 2 353.422 2.617 20 30 FFEDLO C=C(C)Cn1c(SCC(=O)OCCn2cc[nH+]c2)nnc1-c1ccco1 ZINC000772005634 1001267244 /nfs/dbraw/zinc/26/72/44/1001267244.db2.gz TXRPQSVDBGKLQL-UHFFFAOYSA-N 1 2 373.438 2.646 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1oc3ccccc3c1C)C2 ZINC001110064367 1001417989 /nfs/dbraw/zinc/41/79/89/1001417989.db2.gz IHOFFKPLFWICBH-NJAFHUGGSA-N 1 2 352.434 2.726 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1oc3ccccc3c1C)C2 ZINC001110064367 1001417991 /nfs/dbraw/zinc/41/79/91/1001417991.db2.gz IHOFFKPLFWICBH-NJAFHUGGSA-N 1 2 352.434 2.726 20 30 FFEDLO C#CCC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000788150749 1001763217 /nfs/dbraw/zinc/76/32/17/1001763217.db2.gz AAVDUPLYAWAAMT-HXUWFJFHSA-N 1 2 354.494 2.977 20 30 FFEDLO C#CCC1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000788150749 1001763222 /nfs/dbraw/zinc/76/32/22/1001763222.db2.gz AAVDUPLYAWAAMT-HXUWFJFHSA-N 1 2 354.494 2.977 20 30 FFEDLO N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1Cl ZINC001110300676 1001877596 /nfs/dbraw/zinc/87/75/96/1001877596.db2.gz JBOGFTPQPZZPEX-YUELXQCFSA-N 1 2 367.877 2.957 20 30 FFEDLO N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1Cl ZINC001110300676 1001877614 /nfs/dbraw/zinc/87/76/14/1001877614.db2.gz JBOGFTPQPZZPEX-YUELXQCFSA-N 1 2 367.877 2.957 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)C[C@H]2C1 ZINC001091852160 1001951441 /nfs/dbraw/zinc/95/14/41/1001951441.db2.gz MDKPWOJNWZDEOH-MSOLQXFVSA-N 1 2 352.482 2.751 20 30 FFEDLO N#Cc1ccc(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)nc1 ZINC000789218054 1001996592 /nfs/dbraw/zinc/99/65/92/1001996592.db2.gz BQPGXOQTFLHIPC-UHFFFAOYSA-N 1 2 364.453 2.575 20 30 FFEDLO CCc1oncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001097960450 1016553544 /nfs/dbraw/zinc/55/35/44/1016553544.db2.gz WITCVQDNJSVFCY-OLMNPRSZSA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1oncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001097960450 1016553555 /nfs/dbraw/zinc/55/35/55/1016553555.db2.gz WITCVQDNJSVFCY-OLMNPRSZSA-N 1 2 368.412 2.783 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H]3COC(=O)N[C@@H]3C2)cc1OC ZINC001182733972 1002034253 /nfs/dbraw/zinc/03/42/53/1002034253.db2.gz JLCJOXJILKMTCL-DZGCQCFKSA-N 1 2 366.845 2.844 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H]3COC(=O)N[C@@H]3C2)cc1OC ZINC001182733972 1002034259 /nfs/dbraw/zinc/03/42/59/1002034259.db2.gz JLCJOXJILKMTCL-DZGCQCFKSA-N 1 2 366.845 2.844 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(CC)s3)C[C@@]2(C)C1 ZINC001091911031 1002065140 /nfs/dbraw/zinc/06/51/40/1002065140.db2.gz NFOYOJCHGIDOTQ-KUHUBIRLSA-N 1 2 362.543 2.983 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(CC)s3)C[C@@]2(C)C1 ZINC001091911031 1002065151 /nfs/dbraw/zinc/06/51/51/1002065151.db2.gz NFOYOJCHGIDOTQ-KUHUBIRLSA-N 1 2 362.543 2.983 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1C ZINC001091948519 1002148842 /nfs/dbraw/zinc/14/88/42/1002148842.db2.gz ZVQXLFHMFPRRPW-SJORKVTESA-N 1 2 360.502 2.975 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnn(CC)c2)C1 ZINC001086579654 1002196761 /nfs/dbraw/zinc/19/67/61/1002196761.db2.gz OORTWVNKTHKPLT-ZWKOTPCHSA-N 1 2 358.873 2.853 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnn(CC)c2)C1 ZINC001086579654 1002196767 /nfs/dbraw/zinc/19/67/67/1002196767.db2.gz OORTWVNKTHKPLT-ZWKOTPCHSA-N 1 2 358.873 2.853 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](Cc4nc(C5CC5)no4)C[C@@]3(C)C2)C1 ZINC001091995472 1002199770 /nfs/dbraw/zinc/19/97/70/1002199770.db2.gz FLQVYDAIQKHVRI-QRWLVFNGSA-N 1 2 356.470 2.584 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@@H+](Cc4nc(C5CC5)no4)C[C@@]3(C)C2)C1 ZINC001091995472 1002199776 /nfs/dbraw/zinc/19/97/76/1002199776.db2.gz FLQVYDAIQKHVRI-QRWLVFNGSA-N 1 2 356.470 2.584 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001096820749 1016596454 /nfs/dbraw/zinc/59/64/54/1016596454.db2.gz BCRBSYQJUMEBBI-ZACQAIPSSA-N 1 2 356.470 2.560 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)n1ccc(Cl)c(N)c1=N ZINC001183829363 1002401569 /nfs/dbraw/zinc/40/15/69/1002401569.db2.gz MQEUPTHFBSWPMF-MRXNPFEDSA-N 1 2 369.856 2.770 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)n1ccc(Cl)c(N)c1=N ZINC001183829363 1002401578 /nfs/dbraw/zinc/40/15/78/1002401578.db2.gz MQEUPTHFBSWPMF-MRXNPFEDSA-N 1 2 369.856 2.770 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c(C)nn(C)c1C)C2 ZINC001110128891 1002435171 /nfs/dbraw/zinc/43/51/71/1002435171.db2.gz GWEWPKBOIGNVJV-CQIULORISA-N 1 2 364.921 2.690 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c(C)nn(C)c1C)C2 ZINC001110128891 1002435173 /nfs/dbraw/zinc/43/51/73/1002435173.db2.gz GWEWPKBOIGNVJV-CQIULORISA-N 1 2 364.921 2.690 20 30 FFEDLO CCO[C@H](CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110348042 1002546102 /nfs/dbraw/zinc/54/61/02/1002546102.db2.gz QJIAAWAMRQIDKD-OQIJWPOYSA-N 1 2 359.445 2.734 20 30 FFEDLO CCO[C@H](CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110348042 1002546114 /nfs/dbraw/zinc/54/61/14/1002546114.db2.gz QJIAAWAMRQIDKD-OQIJWPOYSA-N 1 2 359.445 2.734 20 30 FFEDLO CCO[C@H](CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110348177 1002551054 /nfs/dbraw/zinc/55/10/54/1002551054.db2.gz VSZMYSNBMFPVEB-OQIJWPOYSA-N 1 2 359.445 2.734 20 30 FFEDLO CCO[C@H](CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110348177 1002551060 /nfs/dbraw/zinc/55/10/60/1002551060.db2.gz VSZMYSNBMFPVEB-OQIJWPOYSA-N 1 2 359.445 2.734 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc3n2CCC3)C1 ZINC001086592817 1002556688 /nfs/dbraw/zinc/55/66/88/1002556688.db2.gz JJSAHIVLHMQMQS-DLBZAZTESA-N 1 2 370.884 2.780 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc3n2CCC3)C1 ZINC001086592817 1002556701 /nfs/dbraw/zinc/55/67/01/1002556701.db2.gz JJSAHIVLHMQMQS-DLBZAZTESA-N 1 2 370.884 2.780 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH]nc2CC)C1 ZINC001086596460 1002628821 /nfs/dbraw/zinc/62/88/21/1002628821.db2.gz DCIDKNLQYMNPFO-FUHWJXTLSA-N 1 2 358.873 2.922 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH]nc2CC)C1 ZINC001086596460 1002628824 /nfs/dbraw/zinc/62/88/24/1002628824.db2.gz DCIDKNLQYMNPFO-FUHWJXTLSA-N 1 2 358.873 2.922 20 30 FFEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC001184732276 1002709481 /nfs/dbraw/zinc/70/94/81/1002709481.db2.gz YEOUWAIWIOXBGP-UHFFFAOYSA-N 1 2 364.453 2.532 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001092346484 1002718445 /nfs/dbraw/zinc/71/84/45/1002718445.db2.gz IBJLIPZKEKBFGD-RPVQJOFSSA-N 1 2 360.502 2.572 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cscn2)C3)c(F)c1 ZINC001096880029 1016671274 /nfs/dbraw/zinc/67/12/74/1016671274.db2.gz OPDXNBRXBFKJRV-UNEWFSDZSA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cscn2)C3)c(F)c1 ZINC001096880029 1016671290 /nfs/dbraw/zinc/67/12/90/1016671290.db2.gz OPDXNBRXBFKJRV-UNEWFSDZSA-N 1 2 356.426 2.689 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncn1-c1ccccc1)C2 ZINC001095534779 1016672163 /nfs/dbraw/zinc/67/21/63/1016672163.db2.gz GPKCEFINKQRIAV-IKGGRYGDSA-N 1 2 356.857 2.960 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncn1-c1ccccc1)C2 ZINC001095534779 1016672172 /nfs/dbraw/zinc/67/21/72/1016672172.db2.gz GPKCEFINKQRIAV-IKGGRYGDSA-N 1 2 356.857 2.960 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C2CC2)no1 ZINC001110366074 1003011928 /nfs/dbraw/zinc/01/19/28/1003011928.db2.gz IWDNYKZFURQXLD-LZBRWLDZSA-N 1 2 359.470 2.755 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C2CC2)no1 ZINC001110366074 1003011941 /nfs/dbraw/zinc/01/19/41/1003011941.db2.gz IWDNYKZFURQXLD-LZBRWLDZSA-N 1 2 359.470 2.755 20 30 FFEDLO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186049112 1003174826 /nfs/dbraw/zinc/17/48/26/1003174826.db2.gz KJFDCXYGKXGECO-OAHLLOKOSA-N 1 2 350.922 2.574 20 30 FFEDLO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186049112 1003174830 /nfs/dbraw/zinc/17/48/30/1003174830.db2.gz KJFDCXYGKXGECO-OAHLLOKOSA-N 1 2 350.922 2.574 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113918027 1003232213 /nfs/dbraw/zinc/23/22/13/1003232213.db2.gz APEDLKGRAWBHNZ-ZVZYQTTQSA-N 1 2 358.486 2.585 20 30 FFEDLO Cc1cccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001096933470 1016755235 /nfs/dbraw/zinc/75/52/35/1016755235.db2.gz CADQCXZBMCDVNX-AQNXPRMDSA-N 1 2 363.436 2.916 20 30 FFEDLO Cc1cccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001096933470 1016755243 /nfs/dbraw/zinc/75/52/43/1016755243.db2.gz CADQCXZBMCDVNX-AQNXPRMDSA-N 1 2 363.436 2.916 20 30 FFEDLO Cc1cc(N2CC[C@@]3(CNC(=O)[C@@H](C)C#N)CCC[C@@H]23)nc(C(C)C)[nH+]1 ZINC001092687016 1003428896 /nfs/dbraw/zinc/42/88/96/1003428896.db2.gz NMNROHQIEVUSEY-YYFZDKIDSA-N 1 2 355.486 2.933 20 30 FFEDLO C[C@@H]1C(=O)N(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)[C@@H]1c1ccccc1 ZINC000793588759 1003431639 /nfs/dbraw/zinc/43/16/39/1003431639.db2.gz DOEAYTGIQDYMQY-QSFXBCCZSA-N 1 2 362.433 2.583 20 30 FFEDLO C[C@@H]1C(=O)N(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)[C@@H]1c1ccccc1 ZINC000793588759 1003431651 /nfs/dbraw/zinc/43/16/51/1003431651.db2.gz DOEAYTGIQDYMQY-QSFXBCCZSA-N 1 2 362.433 2.583 20 30 FFEDLO N#CCSCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC001186917373 1003489378 /nfs/dbraw/zinc/48/93/78/1003489378.db2.gz MBRLFALGOFVFIU-XJKSGUPXSA-N 1 2 367.877 2.769 20 30 FFEDLO N#CCSCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC001186917373 1003489380 /nfs/dbraw/zinc/48/93/80/1003489380.db2.gz MBRLFALGOFVFIU-XJKSGUPXSA-N 1 2 367.877 2.769 20 30 FFEDLO C=C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)n1)c1ccccc1 ZINC001110135954 1003497611 /nfs/dbraw/zinc/49/76/11/1003497611.db2.gz XZSYDSFQMGICRF-FYQPLNBISA-N 1 2 350.466 2.611 20 30 FFEDLO C=C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(C)n1)c1ccccc1 ZINC001110135954 1003497615 /nfs/dbraw/zinc/49/76/15/1003497615.db2.gz XZSYDSFQMGICRF-FYQPLNBISA-N 1 2 350.466 2.611 20 30 FFEDLO C[C@H](c1ncccn1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC#Cc1ccccc1)C2 ZINC001110135969 1003498928 /nfs/dbraw/zinc/49/89/28/1003498928.db2.gz YSZFGNOIRTWQOT-LMCOJAPRSA-N 1 2 360.461 2.701 20 30 FFEDLO C[C@H](c1ncccn1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC#Cc1ccccc1)C2 ZINC001110135969 1003498933 /nfs/dbraw/zinc/49/89/33/1003498933.db2.gz YSZFGNOIRTWQOT-LMCOJAPRSA-N 1 2 360.461 2.701 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2cncs2)C3)c(F)c1 ZINC001095574775 1016781056 /nfs/dbraw/zinc/78/10/56/1016781056.db2.gz ASAHCAUJYHOAIA-JLSDUUJJSA-N 1 2 370.453 2.618 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2cncs2)C3)c(F)c1 ZINC001095574775 1016781070 /nfs/dbraw/zinc/78/10/70/1016781070.db2.gz ASAHCAUJYHOAIA-JLSDUUJJSA-N 1 2 370.453 2.618 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2c(C)n[nH]c2C(F)(F)F)[C@H](C)C1 ZINC001092832744 1003627546 /nfs/dbraw/zinc/62/75/46/1003627546.db2.gz ZWMXRTSYNOKFTL-LDYMZIIASA-N 1 2 364.799 2.787 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2c(C)n[nH]c2C(F)(F)F)[C@H](C)C1 ZINC001092832744 1003627548 /nfs/dbraw/zinc/62/75/48/1003627548.db2.gz ZWMXRTSYNOKFTL-LDYMZIIASA-N 1 2 364.799 2.787 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804761766 1003836583 /nfs/dbraw/zinc/83/65/83/1003836583.db2.gz AOBHADMOOIWXHF-UZLBHIALSA-N 1 2 365.518 2.742 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3cccn3cn1)C2 ZINC001095604737 1016839907 /nfs/dbraw/zinc/83/99/07/1016839907.db2.gz HNTMKEBDFYCJPC-DYXWJJEUSA-N 1 2 371.444 2.741 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3cccn3cn1)C2 ZINC001095604737 1016839920 /nfs/dbraw/zinc/83/99/20/1016839920.db2.gz HNTMKEBDFYCJPC-DYXWJJEUSA-N 1 2 371.444 2.741 20 30 FFEDLO CC[C@@H](C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001197107771 1004086790 /nfs/dbraw/zinc/08/67/90/1004086790.db2.gz JGAZPVGNONMQMF-ATZDWAIDSA-N 1 2 362.901 2.679 20 30 FFEDLO CC[C@@H](C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001197107771 1004086794 /nfs/dbraw/zinc/08/67/94/1004086794.db2.gz JGAZPVGNONMQMF-ATZDWAIDSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC(CC)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001197197609 1004117242 /nfs/dbraw/zinc/11/72/42/1004117242.db2.gz JNQMOOSAMIHVSL-QZTJIDSGSA-N 1 2 361.461 2.575 20 30 FFEDLO CCC(CC)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001197197609 1004117248 /nfs/dbraw/zinc/11/72/48/1004117248.db2.gz JNQMOOSAMIHVSL-QZTJIDSGSA-N 1 2 361.461 2.575 20 30 FFEDLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000805763489 1004137911 /nfs/dbraw/zinc/13/79/11/1004137911.db2.gz SGQDBPVMBYVIET-MRXNPFEDSA-N 1 2 373.453 2.788 20 30 FFEDLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000805763489 1004137927 /nfs/dbraw/zinc/13/79/27/1004137927.db2.gz SGQDBPVMBYVIET-MRXNPFEDSA-N 1 2 373.453 2.788 20 30 FFEDLO CC(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001197243964 1004138142 /nfs/dbraw/zinc/13/81/42/1004138142.db2.gz IIJJGNUIPJLSOT-KFKAGJAMSA-N 1 2 362.901 2.535 20 30 FFEDLO CC(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001197243964 1004138146 /nfs/dbraw/zinc/13/81/46/1004138146.db2.gz IIJJGNUIPJLSOT-KFKAGJAMSA-N 1 2 362.901 2.535 20 30 FFEDLO N#Cc1cccc(NC(=S)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001197675644 1004317767 /nfs/dbraw/zinc/31/77/67/1004317767.db2.gz VRVZJVUIPMFJQI-LJQANCHMSA-N 1 2 366.490 2.746 20 30 FFEDLO N#Cc1cccc(NC(=S)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001197675644 1004317777 /nfs/dbraw/zinc/31/77/77/1004317777.db2.gz VRVZJVUIPMFJQI-LJQANCHMSA-N 1 2 366.490 2.746 20 30 FFEDLO CC[C@H](SC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1OC ZINC001110452455 1004365883 /nfs/dbraw/zinc/36/58/83/1004365883.db2.gz SJKAMECVPPEWTH-VXNCWWDNSA-N 1 2 373.522 2.930 20 30 FFEDLO CC[C@H](SC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1OC ZINC001110452455 1004365890 /nfs/dbraw/zinc/36/58/90/1004365890.db2.gz SJKAMECVPPEWTH-VXNCWWDNSA-N 1 2 373.522 2.930 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(F)c1 ZINC001110495719 1004384161 /nfs/dbraw/zinc/38/41/61/1004384161.db2.gz GNEYRZZTIFPVQH-UEILYKACSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(F)c1 ZINC001110495719 1004384170 /nfs/dbraw/zinc/38/41/70/1004384170.db2.gz GNEYRZZTIFPVQH-UEILYKACSA-N 1 2 350.409 2.513 20 30 FFEDLO C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4ccc(F)c(C#N)c4)nc3c2)CC1 ZINC001250506214 1004406576 /nfs/dbraw/zinc/40/65/76/1004406576.db2.gz PEJHDGGRNJLVIM-UHFFFAOYSA-N 1 2 363.396 2.628 20 30 FFEDLO C#Cc1cncc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)c1 ZINC000806790424 1004415383 /nfs/dbraw/zinc/41/53/83/1004415383.db2.gz XPWDRORBGCKLHI-UHFFFAOYSA-N 1 2 370.416 2.952 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@H]1O ZINC001193241657 1004415745 /nfs/dbraw/zinc/41/57/45/1004415745.db2.gz WVECEEOIMHHCSI-MJXNMMHHSA-N 1 2 364.436 2.956 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@H]1O ZINC001193241657 1004415748 /nfs/dbraw/zinc/41/57/48/1004415748.db2.gz WVECEEOIMHHCSI-MJXNMMHHSA-N 1 2 364.436 2.956 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nnc(-c2ccccc2)o1 ZINC001110497245 1004416971 /nfs/dbraw/zinc/41/69/71/1004416971.db2.gz QSHHEYPKEVSXFN-KURKYZTESA-N 1 2 364.449 2.762 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nnc(-c2ccccc2)o1 ZINC001110497245 1004416973 /nfs/dbraw/zinc/41/69/73/1004416973.db2.gz QSHHEYPKEVSXFN-KURKYZTESA-N 1 2 364.449 2.762 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)ns1 ZINC001097007369 1016884079 /nfs/dbraw/zinc/88/40/79/1016884079.db2.gz HOTWDUGNNMAGJT-KYJSFNMBSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)ns1 ZINC001097007369 1016884093 /nfs/dbraw/zinc/88/40/93/1016884093.db2.gz HOTWDUGNNMAGJT-KYJSFNMBSA-N 1 2 370.453 2.998 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ncc(C(C)C)o2)C1 ZINC001130935791 1004572453 /nfs/dbraw/zinc/57/24/53/1004572453.db2.gz LPUNRIQLTUQSFN-HZPDHXFCSA-N 1 2 371.485 2.582 20 30 FFEDLO C[NH+]1CCN(c2ccc(C(=O)Nc3ccc(C#N)cc3O)cc2Cl)CC1 ZINC001194692666 1004793617 /nfs/dbraw/zinc/79/36/17/1004793617.db2.gz KLDKQQIKOIUJSS-UHFFFAOYSA-N 1 2 370.840 2.921 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cc(F)ccc2F)C[C@H]1O ZINC001195307439 1004938236 /nfs/dbraw/zinc/93/82/36/1004938236.db2.gz XKQQJPMMWTVUAH-GDIGMMSISA-N 1 2 364.436 2.771 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cc(F)ccc2F)C[C@H]1O ZINC001195307439 1004938242 /nfs/dbraw/zinc/93/82/42/1004938242.db2.gz XKQQJPMMWTVUAH-GDIGMMSISA-N 1 2 364.436 2.771 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)C[C@H]1O ZINC001195725026 1005022211 /nfs/dbraw/zinc/02/22/11/1005022211.db2.gz HKLHCJSJPMPHBY-IAGOWNOFSA-N 1 2 354.853 2.539 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@H]1O ZINC001195725026 1005022218 /nfs/dbraw/zinc/02/22/18/1005022218.db2.gz HKLHCJSJPMPHBY-IAGOWNOFSA-N 1 2 354.853 2.539 20 30 FFEDLO CCC[N@@H+]1CCc2c(N)sc(NC(=O)c3ccc(C#N)cc3O)c2C1 ZINC001195741793 1005038127 /nfs/dbraw/zinc/03/81/27/1005038127.db2.gz ZMHSZRVLQYUACU-UHFFFAOYSA-N 1 2 356.451 2.928 20 30 FFEDLO CCC[N@H+]1CCc2c(N)sc(NC(=O)c3ccc(C#N)cc3O)c2C1 ZINC001195741793 1005038130 /nfs/dbraw/zinc/03/81/30/1005038130.db2.gz ZMHSZRVLQYUACU-UHFFFAOYSA-N 1 2 356.451 2.928 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccc(Cl)c(F)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC001195876036 1005066970 /nfs/dbraw/zinc/06/69/70/1005066970.db2.gz FLFDBOIBATZWTH-QGZVFWFLSA-N 1 2 361.804 2.955 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccc(Cl)c(F)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC001195876036 1005066976 /nfs/dbraw/zinc/06/69/76/1005066976.db2.gz FLFDBOIBATZWTH-QGZVFWFLSA-N 1 2 361.804 2.955 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nsc2ccccc12 ZINC001110551141 1005095800 /nfs/dbraw/zinc/09/58/00/1005095800.db2.gz QPOBLKBGENKDTM-KYJSFNMBSA-N 1 2 369.490 2.558 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nsc2ccccc12 ZINC001110551141 1005095803 /nfs/dbraw/zinc/09/58/03/1005095803.db2.gz QPOBLKBGENKDTM-KYJSFNMBSA-N 1 2 369.490 2.558 20 30 FFEDLO C#CCOc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000776089721 1005112224 /nfs/dbraw/zinc/11/22/24/1005112224.db2.gz DUOMFMJDYGVFPB-UHFFFAOYSA-N 1 2 374.444 2.920 20 30 FFEDLO CCCC[C@@H](CNc1ccc(C#N)cn1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001114314042 1005124878 /nfs/dbraw/zinc/12/48/78/1005124878.db2.gz NTCFZUUSGHGFRD-GVDBMIGSSA-N 1 2 366.469 2.577 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CC[C@@H](C)OC)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001489111210 1005411390 /nfs/dbraw/zinc/41/13/90/1005411390.db2.gz DOBQVENVXXJMIP-MDASCCDHSA-N 1 2 361.461 2.982 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CC[C@@H](C)OC)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001489111210 1005411391 /nfs/dbraw/zinc/41/13/91/1005411391.db2.gz DOBQVENVXXJMIP-MDASCCDHSA-N 1 2 361.461 2.982 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H]2C[N@H+](Cc3nnc(CC)s3)CC[C@@H]2C1 ZINC001489182609 1005426315 /nfs/dbraw/zinc/42/63/15/1005426315.db2.gz MWJVJQULAZEZBJ-CVEARBPZSA-N 1 2 360.527 2.574 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(CC)s3)CC[C@@H]2C1 ZINC001489182609 1005426317 /nfs/dbraw/zinc/42/63/17/1005426317.db2.gz MWJVJQULAZEZBJ-CVEARBPZSA-N 1 2 360.527 2.574 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccco2)[C@@H]1C ZINC001489267069 1005444541 /nfs/dbraw/zinc/44/45/41/1005444541.db2.gz DRTPIOFEIJNNFA-OAGGEKHMSA-N 1 2 361.486 2.638 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccco2)[C@@H]1C ZINC001489267069 1005444544 /nfs/dbraw/zinc/44/45/44/1005444544.db2.gz DRTPIOFEIJNNFA-OAGGEKHMSA-N 1 2 361.486 2.638 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)nn1 ZINC000850273022 1005801409 /nfs/dbraw/zinc/80/14/09/1005801409.db2.gz FNWPLAWWWXLHSU-GOSISDBHSA-N 1 2 353.470 2.675 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001187225877 1005965738 /nfs/dbraw/zinc/96/57/38/1005965738.db2.gz LMKGXOBNXDSNTB-UWWQBHOKSA-N 1 2 359.470 2.566 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001187225877 1005965744 /nfs/dbraw/zinc/96/57/44/1005965744.db2.gz LMKGXOBNXDSNTB-UWWQBHOKSA-N 1 2 359.470 2.566 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)C23CCC(NC(=O)OC(C)(C)C)(CC2)C3)CC1 ZINC001187437583 1006080528 /nfs/dbraw/zinc/08/05/28/1006080528.db2.gz DMPGNLMHWKNNQQ-UHFFFAOYSA-N 1 2 363.502 2.544 20 30 FFEDLO CC[C@H](C)OCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187546516 1006137753 /nfs/dbraw/zinc/13/77/53/1006137753.db2.gz LTFNIVDLFCAYRV-URLQWDBASA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@H](C)OCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187546516 1006137762 /nfs/dbraw/zinc/13/77/62/1006137762.db2.gz LTFNIVDLFCAYRV-URLQWDBASA-N 1 2 359.445 2.545 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2noc(C3CC3)n2)C1 ZINC001086717285 1006153221 /nfs/dbraw/zinc/15/32/21/1006153221.db2.gz PRLSPJWCMJRPNP-GOEBONIOSA-N 1 2 369.469 2.623 20 30 FFEDLO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000881759933 1006208231 /nfs/dbraw/zinc/20/82/31/1006208231.db2.gz WFGUNXIGEBKSIW-UHFFFAOYSA-N 1 2 364.405 2.991 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C4CCCC4)n3)C[C@H]21 ZINC001187729672 1006218788 /nfs/dbraw/zinc/21/87/88/1006218788.db2.gz RIBUWRPKUQXNTB-FXAWDEMLSA-N 1 2 354.498 2.834 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C4CCCC4)n3)C[C@H]21 ZINC001187729672 1006218796 /nfs/dbraw/zinc/21/87/96/1006218796.db2.gz RIBUWRPKUQXNTB-FXAWDEMLSA-N 1 2 354.498 2.834 20 30 FFEDLO C[C@@H](Nc1nccc(Oc2cccc(C#N)c2)n1)[C@@H](C)[NH+]1CCOCC1 ZINC000881924377 1006256884 /nfs/dbraw/zinc/25/68/84/1006256884.db2.gz UYIIOLKKGHAXTM-HUUCEWRRSA-N 1 2 353.426 2.662 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nnc(CC(C)C)o3)C[C@H]21 ZINC001187849156 1006273821 /nfs/dbraw/zinc/27/38/21/1006273821.db2.gz LBOPENIILYOVKR-IXDOHACOSA-N 1 2 358.486 2.521 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nnc(CC(C)C)o3)C[C@H]21 ZINC001187849156 1006273832 /nfs/dbraw/zinc/27/38/32/1006273832.db2.gz LBOPENIILYOVKR-IXDOHACOSA-N 1 2 358.486 2.521 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4ccoc4)no3)C[C@H]21 ZINC001188903384 1006794917 /nfs/dbraw/zinc/79/49/17/1006794917.db2.gz SCWOKGOTNYDORB-DOTOQJQBSA-N 1 2 368.437 2.556 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4ccoc4)no3)C[C@H]21 ZINC001188903384 1006794928 /nfs/dbraw/zinc/79/49/28/1006794928.db2.gz SCWOKGOTNYDORB-DOTOQJQBSA-N 1 2 368.437 2.556 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883670952 1006941249 /nfs/dbraw/zinc/94/12/49/1006941249.db2.gz XBVOMFBVGDBDNE-FHWLQOOXSA-N 1 2 354.454 2.905 20 30 FFEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCOC1 ZINC000883880124 1007057328 /nfs/dbraw/zinc/05/73/28/1007057328.db2.gz IVCMVOVBYYKHBH-WOJBJXKFSA-N 1 2 370.497 2.591 20 30 FFEDLO N#CCOc1ccccc1C(=O)OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817179200 1007459141 /nfs/dbraw/zinc/45/91/41/1007459141.db2.gz AJXYDNBOCZCGAD-UHFFFAOYSA-N 1 2 366.417 2.778 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(OCCOC)c3)[C@@H]2C1 ZINC001190311477 1007562842 /nfs/dbraw/zinc/56/28/42/1007562842.db2.gz DOISNNQUZXOKNY-FUHWJXTLSA-N 1 2 364.873 2.611 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(OCCOC)c3)[C@@H]2C1 ZINC001190311477 1007562849 /nfs/dbraw/zinc/56/28/49/1007562849.db2.gz DOISNNQUZXOKNY-FUHWJXTLSA-N 1 2 364.873 2.611 20 30 FFEDLO C[C@@H]1C[C@@H](C)[N@H+](Cn2cccc(C#N)c2=O)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817376738 1007569500 /nfs/dbraw/zinc/56/95/00/1007569500.db2.gz CGROJSRUCROZMP-BFYDXBDKSA-N 1 2 374.485 2.549 20 30 FFEDLO C[C@@H]1C[C@@H](C)[N@@H+](Cn2cccc(C#N)c2=O)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817376738 1007569508 /nfs/dbraw/zinc/56/95/08/1007569508.db2.gz CGROJSRUCROZMP-BFYDXBDKSA-N 1 2 374.485 2.549 20 30 FFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NCc2c[nH+]cn2C2CCC2)c1 ZINC001190997545 1007876657 /nfs/dbraw/zinc/87/66/57/1007876657.db2.gz AKANFZCWIQGNSJ-UHFFFAOYSA-N 1 2 350.831 2.612 20 30 FFEDLO CC(C)(C)OC(=O)NCC[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)C(F)F ZINC000819342617 1008102745 /nfs/dbraw/zinc/10/27/45/1008102745.db2.gz AACZEEBUNDGHCN-CABCVRRESA-N 1 2 369.412 2.730 20 30 FFEDLO C#C[C@@H](NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C1CCOCC1 ZINC000820919624 1008386480 /nfs/dbraw/zinc/38/64/80/1008386480.db2.gz UOIBYHLVBODCNX-OXQOHEQNSA-N 1 2 371.481 2.630 20 30 FFEDLO Cc1ccc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000859565097 1008564450 /nfs/dbraw/zinc/56/44/50/1008564450.db2.gz CCZFXABSEQOFQD-HXUWFJFHSA-N 1 2 350.418 2.811 20 30 FFEDLO Cc1ccc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000859565097 1008564458 /nfs/dbraw/zinc/56/44/58/1008564458.db2.gz CCZFXABSEQOFQD-HXUWFJFHSA-N 1 2 350.418 2.811 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3ccccc3)co1)C2 ZINC001110208909 1008647634 /nfs/dbraw/zinc/64/76/34/1008647634.db2.gz PTAJKBSWPFUTMV-AABGKKOBSA-N 1 2 364.445 2.932 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3ccccc3)co1)C2 ZINC001110208909 1008647639 /nfs/dbraw/zinc/64/76/39/1008647639.db2.gz PTAJKBSWPFUTMV-AABGKKOBSA-N 1 2 364.445 2.932 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)OCC)C2)c1 ZINC001136596686 1008674990 /nfs/dbraw/zinc/67/49/90/1008674990.db2.gz QBSYMELRLPPGEC-MRXNPFEDSA-N 1 2 360.454 2.855 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)c1 ZINC001136596686 1008674995 /nfs/dbraw/zinc/67/49/95/1008674995.db2.gz QBSYMELRLPPGEC-MRXNPFEDSA-N 1 2 360.454 2.855 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)COc2nc(Cl)c(Cl)cc2Cl)CC1 ZINC001177755519 1008733584 /nfs/dbraw/zinc/73/35/84/1008733584.db2.gz ABEYOPOEJDJSBA-UHFFFAOYSA-N 1 2 364.660 2.751 20 30 FFEDLO CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@@H](C#N)Cc1cccs1)C2 ZINC001177908754 1008781451 /nfs/dbraw/zinc/78/14/51/1008781451.db2.gz NOKKKFZMVUQUDU-CQSZACIVSA-N 1 2 371.510 2.579 20 30 FFEDLO CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@@H](C#N)Cc1cccs1)C2 ZINC001177908754 1008781461 /nfs/dbraw/zinc/78/14/61/1008781461.db2.gz NOKKKFZMVUQUDU-CQSZACIVSA-N 1 2 371.510 2.579 20 30 FFEDLO C[C@@H](C[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1)NC(=O)OC(C)(C)C ZINC000860093587 1008828141 /nfs/dbraw/zinc/82/81/41/1008828141.db2.gz DUGXGVPHUPVQAF-ZDUSSCGKSA-N 1 2 371.441 2.953 20 30 FFEDLO C[C@@H](C[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1)NC(=O)OC(C)(C)C ZINC000860093587 1008828152 /nfs/dbraw/zinc/82/81/52/1008828152.db2.gz DUGXGVPHUPVQAF-ZDUSSCGKSA-N 1 2 371.441 2.953 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2ccoc2)C3)c1 ZINC001095347339 1008855481 /nfs/dbraw/zinc/85/54/81/1008855481.db2.gz FDQPOQAJUJXLJU-NEWSRXKRSA-N 1 2 353.397 2.755 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2ccoc2)C3)c1 ZINC001095347339 1008855493 /nfs/dbraw/zinc/85/54/93/1008855493.db2.gz FDQPOQAJUJXLJU-NEWSRXKRSA-N 1 2 353.397 2.755 20 30 FFEDLO C#C[C@H](CCC)NC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000773730687 1008917399 /nfs/dbraw/zinc/91/73/99/1008917399.db2.gz OSSSQKYNLUGLMV-MRXNPFEDSA-N 1 2 364.449 2.743 20 30 FFEDLO CON=CC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC001136698509 1009006403 /nfs/dbraw/zinc/00/64/03/1009006403.db2.gz MFUVBHZLHLVFJZ-UHFFFAOYSA-N 1 2 352.797 2.727 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C[C@H]1C ZINC001206662111 1032376679 /nfs/dbraw/zinc/37/66/79/1032376679.db2.gz ADFHMJAVGGZSAG-WOSRLPQWSA-N 1 2 356.401 2.577 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C[C@H]1C ZINC001206662111 1032376687 /nfs/dbraw/zinc/37/66/87/1032376687.db2.gz ADFHMJAVGGZSAG-WOSRLPQWSA-N 1 2 356.401 2.577 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000823469472 1009080629 /nfs/dbraw/zinc/08/06/29/1009080629.db2.gz WIGIXEJQFBDNCW-UOEVCUDDSA-N 1 2 365.481 2.796 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000823469472 1009080642 /nfs/dbraw/zinc/08/06/42/1009080642.db2.gz WIGIXEJQFBDNCW-UOEVCUDDSA-N 1 2 365.481 2.796 20 30 FFEDLO Cc1cc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001095376947 1009130143 /nfs/dbraw/zinc/13/01/43/1009130143.db2.gz XYKXWHBCSYIHDM-NJAFHUGGSA-N 1 2 352.413 2.869 20 30 FFEDLO Cc1cc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001095376947 1009130150 /nfs/dbraw/zinc/13/01/50/1009130150.db2.gz XYKXWHBCSYIHDM-NJAFHUGGSA-N 1 2 352.413 2.869 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001092949089 1009419168 /nfs/dbraw/zinc/41/91/68/1009419168.db2.gz SFLZGEMGMFXRCJ-HZMVEIRTSA-N 1 2 358.486 2.555 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001092981599 1009504857 /nfs/dbraw/zinc/50/48/57/1009504857.db2.gz FGMONMUPRFNWGK-SYQHCUMBSA-N 1 2 369.918 2.572 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001092981599 1009504869 /nfs/dbraw/zinc/50/48/69/1009504869.db2.gz FGMONMUPRFNWGK-SYQHCUMBSA-N 1 2 369.918 2.572 20 30 FFEDLO N#Cc1ccc(C2(C(=O)N3CCC[C@H]([NH+]4CCOCC4)C3)CCCC2)cc1 ZINC000861862017 1009593421 /nfs/dbraw/zinc/59/34/21/1009593421.db2.gz YBIHMSGQOJLSAS-FQEVSTJZSA-N 1 2 367.493 2.693 20 30 FFEDLO C=C1CCC(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1 ZINC000887895050 1009671363 /nfs/dbraw/zinc/67/13/63/1009671363.db2.gz TZJXQRJJOKCKNM-UHFFFAOYSA-N 1 2 355.482 2.952 20 30 FFEDLO CCCCCCCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000862358537 1009805753 /nfs/dbraw/zinc/80/57/53/1009805753.db2.gz MJCQZCNTFGNPLF-UHFFFAOYSA-N 1 2 360.502 2.597 20 30 FFEDLO CCCC[C@@H](CNc1ncc(C#N)cc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001114331243 1010157125 /nfs/dbraw/zinc/15/71/25/1010157125.db2.gz OOICIWFVWSJXRY-RRFJBIMHSA-N 1 2 370.432 2.706 20 30 FFEDLO CCCC[C@@H](CNc1ncc(C#N)cc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001114331243 1010157135 /nfs/dbraw/zinc/15/71/35/1010157135.db2.gz OOICIWFVWSJXRY-RRFJBIMHSA-N 1 2 370.432 2.706 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(C3CC3)c(C#N)c2)C1 ZINC000890044058 1010251052 /nfs/dbraw/zinc/25/10/52/1010251052.db2.gz XLGKGQBEBHVEIV-FQEVSTJZSA-N 1 2 374.444 2.677 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(C3CC3)c(C#N)c2)C1 ZINC000890044058 1010251061 /nfs/dbraw/zinc/25/10/61/1010251061.db2.gz XLGKGQBEBHVEIV-FQEVSTJZSA-N 1 2 374.444 2.677 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3cccs3)no2)C[C@H]1C ZINC001206911162 1032493025 /nfs/dbraw/zinc/49/30/25/1032493025.db2.gz DTVPCYGTOSORFV-ZIAGYGMSSA-N 1 2 358.467 2.538 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3cccs3)no2)C[C@H]1C ZINC001206911162 1032493033 /nfs/dbraw/zinc/49/30/33/1032493033.db2.gz DTVPCYGTOSORFV-ZIAGYGMSSA-N 1 2 358.467 2.538 20 30 FFEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1ccc(S(C)(=O)=O)cc1 ZINC000794894933 1010930627 /nfs/dbraw/zinc/93/06/27/1010930627.db2.gz AIKPFWDSCGCFQE-UHFFFAOYSA-N 1 2 369.450 2.612 20 30 FFEDLO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cccc(C#N)c1O ZINC000866238372 1010958895 /nfs/dbraw/zinc/95/88/95/1010958895.db2.gz MKEWFFSLGYIHGF-AWEZNQCLSA-N 1 2 353.422 2.582 20 30 FFEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000866240351 1010960156 /nfs/dbraw/zinc/96/01/56/1010960156.db2.gz CIGSDIGPUGGSIA-KBPBESRZSA-N 1 2 373.478 2.926 20 30 FFEDLO C[C@H]1C[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@@]2(CCCOC2)O1 ZINC000794904722 1010960661 /nfs/dbraw/zinc/96/06/61/1010960661.db2.gz XYLQTEJYBVMLPM-OXJNMPFZSA-N 1 2 352.438 2.649 20 30 FFEDLO C[C@H]1C[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@@]2(CCCOC2)O1 ZINC000794904722 1010960663 /nfs/dbraw/zinc/96/06/63/1010960663.db2.gz XYLQTEJYBVMLPM-OXJNMPFZSA-N 1 2 352.438 2.649 20 30 FFEDLO COc1cc(C[C@H](CO)C[NH2+][C@H](C)c2cccc(C#N)c2O)cc(OC)c1 ZINC000866277704 1010967499 /nfs/dbraw/zinc/96/74/99/1010967499.db2.gz HBSSEWYOIPARPL-ZBFHGGJFSA-N 1 2 370.449 2.783 20 30 FFEDLO N#Cc1cc(Oc2ccc(NC(=O)/C=C\C[NH+]3CCOCC3)cc2)ccn1 ZINC000868426882 1011294544 /nfs/dbraw/zinc/29/45/44/1011294544.db2.gz VNWWUPKGXYODAL-UPHRSURJSA-N 1 2 364.405 2.572 20 30 FFEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3nnc(C4CC4)o3)c2)n1 ZINC000122233820 1011386032 /nfs/dbraw/zinc/38/60/32/1011386032.db2.gz UHBRLYKHBRCZCC-UHFFFAOYSA-N 1 2 366.425 2.646 20 30 FFEDLO CCCCCCC[C@@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[N@@H+]2C1CCCC1 ZINC001274538331 1011501152 /nfs/dbraw/zinc/50/11/52/1011501152.db2.gz QGHBODAFRWWRQT-HSALFYBXSA-N 1 2 366.546 2.952 20 30 FFEDLO CCCCCCC[C@@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[N@H+]2C1CCCC1 ZINC001274538331 1011501164 /nfs/dbraw/zinc/50/11/64/1011501164.db2.gz QGHBODAFRWWRQT-HSALFYBXSA-N 1 2 366.546 2.952 20 30 FFEDLO Cc1ncsc1C[NH+]1CC2(CN(C(=O)CCc3cccc(C#N)c3)C2)C1 ZINC001274555055 1011507050 /nfs/dbraw/zinc/50/70/50/1011507050.db2.gz IMYMAEUOVYOERE-UHFFFAOYSA-N 1 2 366.490 2.600 20 30 FFEDLO COc1cccc([C@@H]2CN(C(=O)[C@@H](C)Cc3ccc(C#N)cc3)CC[NH2+]2)c1 ZINC000870154307 1012214837 /nfs/dbraw/zinc/21/48/37/1012214837.db2.gz JFRMZNIMJWZCLE-KKSFZXQISA-N 1 2 363.461 2.919 20 30 FFEDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(C#N)c1Cl ZINC001275308476 1012261339 /nfs/dbraw/zinc/26/13/39/1012261339.db2.gz OBJLZIQMBWUZRM-CSMYWGQOSA-N 1 2 359.857 2.754 20 30 FFEDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(C#N)c1Cl ZINC001275308476 1012261356 /nfs/dbraw/zinc/26/13/56/1012261356.db2.gz OBJLZIQMBWUZRM-CSMYWGQOSA-N 1 2 359.857 2.754 20 30 FFEDLO C=CCCCCCCC[N@H+]1C[C@]2(F)CN(CC(OC)OC)C(=O)[C@]2(F)C1 ZINC001275330131 1012317701 /nfs/dbraw/zinc/31/77/01/1012317701.db2.gz LTIDISKOQGPFHT-RBUKOAKNSA-N 1 2 374.472 2.706 20 30 FFEDLO C=CCCCCCCC[N@@H+]1C[C@]2(F)CN(CC(OC)OC)C(=O)[C@]2(F)C1 ZINC001275330131 1012317704 /nfs/dbraw/zinc/31/77/04/1012317704.db2.gz LTIDISKOQGPFHT-RBUKOAKNSA-N 1 2 374.472 2.706 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(Br)n1 ZINC001275344140 1012342316 /nfs/dbraw/zinc/34/23/16/1012342316.db2.gz GYXGYVAAYDYREM-QGZVFWFLSA-N 1 2 364.287 2.987 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(Br)n1 ZINC001275344140 1012342333 /nfs/dbraw/zinc/34/23/33/1012342333.db2.gz GYXGYVAAYDYREM-QGZVFWFLSA-N 1 2 364.287 2.987 20 30 FFEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(O)c(F)c1F)CC2 ZINC001275351419 1012347303 /nfs/dbraw/zinc/34/73/03/1012347303.db2.gz QBOKTKHXRFOZHO-CQSZACIVSA-N 1 2 363.408 2.692 20 30 FFEDLO C#CCN1C[C@@]2(F)C[N@@H+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@]2(F)C1=O ZINC001275478707 1012514912 /nfs/dbraw/zinc/51/49/12/1012514912.db2.gz WWMLMAPOBRZUBT-OYSPMZIOSA-N 1 2 364.823 2.651 20 30 FFEDLO C#CCN1C[C@@]2(F)C[N@H+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@]2(F)C1=O ZINC001275478707 1012514924 /nfs/dbraw/zinc/51/49/24/1012514924.db2.gz WWMLMAPOBRZUBT-OYSPMZIOSA-N 1 2 364.823 2.651 20 30 FFEDLO Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)cn1 ZINC001095183194 1012664724 /nfs/dbraw/zinc/66/47/24/1012664724.db2.gz UEWZHTMFRSSDCY-HOJAQTOUSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)cn1 ZINC001095183194 1012664732 /nfs/dbraw/zinc/66/47/32/1012664732.db2.gz UEWZHTMFRSSDCY-HOJAQTOUSA-N 1 2 364.424 2.936 20 30 FFEDLO CCC[N@H+](CCC#N)[C@H]1CN(C(=O)OC(C)(C)C)[C@](CC)(C(=O)OC)C1 ZINC001173536517 1012703703 /nfs/dbraw/zinc/70/37/03/1012703703.db2.gz NNOQFJDOJJOJGT-BEFAXECRSA-N 1 2 367.490 2.943 20 30 FFEDLO CCC[N@@H+](CCC#N)[C@H]1CN(C(=O)OC(C)(C)C)[C@](CC)(C(=O)OC)C1 ZINC001173536517 1012703713 /nfs/dbraw/zinc/70/37/13/1012703713.db2.gz NNOQFJDOJJOJGT-BEFAXECRSA-N 1 2 367.490 2.943 20 30 FFEDLO Cc1ccc(C[NH+]2CC3(C2)COCC(=O)N3Cc2cccc(C#N)c2)s1 ZINC001275615789 1012706648 /nfs/dbraw/zinc/70/66/48/1012706648.db2.gz WSLHJNJCDZNIKB-UHFFFAOYSA-N 1 2 367.474 2.542 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](Cc3cccc4c3ccn4C)C[C@@]2(F)C1=O ZINC001275705692 1012890495 /nfs/dbraw/zinc/89/04/95/1012890495.db2.gz RZYVTZJKWGXMGA-VQTJNVASSA-N 1 2 359.420 2.829 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](Cc3cccc4c3ccn4C)C[C@@]2(F)C1=O ZINC001275705692 1012890511 /nfs/dbraw/zinc/89/05/11/1012890511.db2.gz RZYVTZJKWGXMGA-VQTJNVASSA-N 1 2 359.420 2.829 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccncc2F)C3)cc1F ZINC001095261281 1012994709 /nfs/dbraw/zinc/99/47/09/1012994709.db2.gz MYTFXJJVLQSRNR-CCKFTAQKSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccncc2F)C3)cc1F ZINC001095261281 1012994723 /nfs/dbraw/zinc/99/47/23/1012994723.db2.gz MYTFXJJVLQSRNR-CCKFTAQKSA-N 1 2 368.387 2.767 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)o1 ZINC001095267981 1013024218 /nfs/dbraw/zinc/02/42/18/1013024218.db2.gz MOCRXIWJYZCCTH-NJAFHUGGSA-N 1 2 368.412 2.838 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)o1 ZINC001095267981 1013024236 /nfs/dbraw/zinc/02/42/36/1013024236.db2.gz MOCRXIWJYZCCTH-NJAFHUGGSA-N 1 2 368.412 2.838 20 30 FFEDLO CC(C)n1nccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097139159 1017097372 /nfs/dbraw/zinc/09/73/72/1017097372.db2.gz ZKLGGNDQWUKPMV-QRVBRYPASA-N 1 2 363.465 2.871 20 30 FFEDLO CC(C)n1nccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097139159 1017097383 /nfs/dbraw/zinc/09/73/83/1017097383.db2.gz ZKLGGNDQWUKPMV-QRVBRYPASA-N 1 2 363.465 2.871 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(OC)no1)c1ccccc1 ZINC001111443529 1017109360 /nfs/dbraw/zinc/10/93/60/1017109360.db2.gz NOHBHVUNEKNMQO-LULLPPNCSA-N 1 2 367.449 2.875 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(OC)no1)c1ccccc1 ZINC001111443529 1017109364 /nfs/dbraw/zinc/10/93/64/1017109364.db2.gz NOHBHVUNEKNMQO-LULLPPNCSA-N 1 2 367.449 2.875 20 30 FFEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001050921485 1017172400 /nfs/dbraw/zinc/17/24/00/1017172400.db2.gz QZNYLCJWJNTQJV-ZCNNSNEGSA-N 1 2 358.482 2.690 20 30 FFEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001050921485 1017172410 /nfs/dbraw/zinc/17/24/10/1017172410.db2.gz QZNYLCJWJNTQJV-ZCNNSNEGSA-N 1 2 358.482 2.690 20 30 FFEDLO Cc1ccc(C#N)c(N2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@H]2C)n1 ZINC001051220311 1017255032 /nfs/dbraw/zinc/25/50/32/1017255032.db2.gz NYBVLFUDHNOKQB-CJNGLKHVSA-N 1 2 360.421 2.535 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC1=CCCCC1 ZINC001110898653 1017595718 /nfs/dbraw/zinc/59/57/18/1017595718.db2.gz OBDIOKHSSDSMTG-QRVBRYPASA-N 1 2 373.541 2.927 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC1=CCCCC1 ZINC001110898653 1017595728 /nfs/dbraw/zinc/59/57/28/1017595728.db2.gz OBDIOKHSSDSMTG-QRVBRYPASA-N 1 2 373.541 2.927 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)C2 ZINC001097561355 1017623685 /nfs/dbraw/zinc/62/36/85/1017623685.db2.gz BWFMADDYUVUUCH-AUYGFBLUSA-N 1 2 365.477 2.595 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)C2 ZINC001097561355 1017623689 /nfs/dbraw/zinc/62/36/89/1017623689.db2.gz BWFMADDYUVUUCH-AUYGFBLUSA-N 1 2 365.477 2.595 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1C ZINC001110899853 1017648362 /nfs/dbraw/zinc/64/83/62/1017648362.db2.gz TVWOYOLRNYYCAO-QRVBRYPASA-N 1 2 369.509 2.545 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1C ZINC001110899853 1017648371 /nfs/dbraw/zinc/64/83/71/1017648371.db2.gz TVWOYOLRNYYCAO-QRVBRYPASA-N 1 2 369.509 2.545 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc3[nH]c(CC)nc31)C2 ZINC001097575349 1017652209 /nfs/dbraw/zinc/65/22/09/1017652209.db2.gz ZOIOGPGUKRVPPZ-BNOWGMLFSA-N 1 2 359.861 2.608 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc3[nH]c(CC)nc31)C2 ZINC001097575349 1017652216 /nfs/dbraw/zinc/65/22/16/1017652216.db2.gz ZOIOGPGUKRVPPZ-BNOWGMLFSA-N 1 2 359.861 2.608 20 30 FFEDLO C=CCCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]21 ZINC001222064408 1032724895 /nfs/dbraw/zinc/72/48/95/1032724895.db2.gz SQUYZKFBZMOJSB-CRAIPNDOSA-N 1 2 350.409 2.590 20 30 FFEDLO C=CCCOCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C[C@H]21 ZINC001222064408 1032724908 /nfs/dbraw/zinc/72/49/08/1032724908.db2.gz SQUYZKFBZMOJSB-CRAIPNDOSA-N 1 2 350.409 2.590 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ccc2nonc2c1 ZINC001097771846 1017933085 /nfs/dbraw/zinc/93/30/85/1017933085.db2.gz UUJQJSOPGRCBIL-UIFIKXQLSA-N 1 2 372.428 2.610 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ccc2nonc2c1 ZINC001097771846 1017933095 /nfs/dbraw/zinc/93/30/95/1017933095.db2.gz UUJQJSOPGRCBIL-UIFIKXQLSA-N 1 2 372.428 2.610 20 30 FFEDLO CCc1ncoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097812744 1017976825 /nfs/dbraw/zinc/97/68/25/1017976825.db2.gz ZTAWGPNLEQNTNI-NXHRZFHOSA-N 1 2 350.422 2.644 20 30 FFEDLO CCc1ncoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097812744 1017976833 /nfs/dbraw/zinc/97/68/33/1017976833.db2.gz ZTAWGPNLEQNTNI-NXHRZFHOSA-N 1 2 350.422 2.644 20 30 FFEDLO C=CCC[C@@H](C(=O)N1CCC(N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000827445767 1018067805 /nfs/dbraw/zinc/06/78/05/1018067805.db2.gz YQGIRAUEQZUBBV-OAQYLSRUSA-N 1 2 355.526 2.975 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNc2[nH+]cnc3c2cnn3C)C1 ZINC001053489194 1018333143 /nfs/dbraw/zinc/33/31/43/1018333143.db2.gz CAZWLDIWKPSITD-HUUCEWRRSA-N 1 2 370.501 2.862 20 30 FFEDLO Cc1ccc(C#N)c(NCC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C)n1 ZINC001053547956 1018360501 /nfs/dbraw/zinc/36/05/01/1018360501.db2.gz TUOFVBAVRRFMKH-RHSMWYFYSA-N 1 2 366.469 2.514 20 30 FFEDLO Cc1ccc(C#N)c(NCC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C)n1 ZINC001053547956 1018360506 /nfs/dbraw/zinc/36/05/06/1018360506.db2.gz TUOFVBAVRRFMKH-RHSMWYFYSA-N 1 2 366.469 2.514 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(C)cc1 ZINC001110925396 1018555731 /nfs/dbraw/zinc/55/57/31/1018555731.db2.gz XWFLDQLTDWQMTK-AQNXPRMDSA-N 1 2 367.493 2.849 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(C)cc1 ZINC001110925396 1018555740 /nfs/dbraw/zinc/55/57/40/1018555740.db2.gz XWFLDQLTDWQMTK-AQNXPRMDSA-N 1 2 367.493 2.849 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc2n(n1)CCCC2 ZINC001110929179 1018651229 /nfs/dbraw/zinc/65/12/29/1018651229.db2.gz VXADFIIEDPQUOY-RLLQIKCJSA-N 1 2 354.498 2.635 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc2n(n1)CCCC2 ZINC001110929179 1018651232 /nfs/dbraw/zinc/65/12/32/1018651232.db2.gz VXADFIIEDPQUOY-RLLQIKCJSA-N 1 2 354.498 2.635 20 30 FFEDLO Cc1nc(N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2cccc(F)c2)cc[nH+]1 ZINC001041693517 1018822640 /nfs/dbraw/zinc/82/26/40/1018822640.db2.gz SSYDCXRSDUAWNC-RBUKOAKNSA-N 1 2 364.424 2.744 20 30 FFEDLO C=CCCC1(C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001067711768 1019115360 /nfs/dbraw/zinc/11/53/60/1019115360.db2.gz FORSAIMSPBRUQN-HZPDHXFCSA-N 1 2 358.486 2.567 20 30 FFEDLO C=CCCC1(C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001067711768 1019115367 /nfs/dbraw/zinc/11/53/67/1019115367.db2.gz FORSAIMSPBRUQN-HZPDHXFCSA-N 1 2 358.486 2.567 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](CCc2ccc(F)c(F)c2)C1 ZINC001042742519 1019133132 /nfs/dbraw/zinc/13/31/32/1019133132.db2.gz TVKZMHXISGZMLA-APWZRJJASA-N 1 2 364.436 2.631 20 30 FFEDLO Cc1nc(NCc2cccc(C(=O)N[C@H](CC#N)C(F)(F)F)c2)cc[nH+]1 ZINC000928808680 1019136454 /nfs/dbraw/zinc/13/64/54/1019136454.db2.gz XXEXTMYCTYTDMD-CQSZACIVSA-N 1 2 363.343 2.972 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N3CCCC3)nc1)C2 ZINC001096183380 1019206538 /nfs/dbraw/zinc/20/65/38/1019206538.db2.gz BFHAJBOINWVEHB-IKGGRYGDSA-N 1 2 360.889 2.769 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N3CCCC3)nc1)C2 ZINC001096183380 1019206551 /nfs/dbraw/zinc/20/65/51/1019206551.db2.gz BFHAJBOINWVEHB-IKGGRYGDSA-N 1 2 360.889 2.769 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(OC)cc1 ZINC001110964286 1019323319 /nfs/dbraw/zinc/32/33/19/1019323319.db2.gz CIEQOCPZZCYIMS-QRQLOZEOSA-N 1 2 371.481 2.712 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(OC)cc1 ZINC001110964286 1019323328 /nfs/dbraw/zinc/32/33/28/1019323328.db2.gz CIEQOCPZZCYIMS-QRQLOZEOSA-N 1 2 371.481 2.712 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c([nH]c1=O)CCCC3)C2 ZINC001098084043 1019369259 /nfs/dbraw/zinc/36/92/59/1019369259.db2.gz XSZQLXFFLKHMMP-XYPHTWIQSA-N 1 2 361.873 2.754 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c([nH]c1=O)CCCC3)C2 ZINC001098084043 1019369274 /nfs/dbraw/zinc/36/92/74/1019369274.db2.gz XSZQLXFFLKHMMP-XYPHTWIQSA-N 1 2 361.873 2.754 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CC[C@@H](C4CC4)O3)CC2)cc1 ZINC000929363433 1019389824 /nfs/dbraw/zinc/38/98/24/1019389824.db2.gz QTEIVELDPOJPLR-PMACEKPBSA-N 1 2 353.466 2.550 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)o1 ZINC001096231365 1019497192 /nfs/dbraw/zinc/49/71/92/1019497192.db2.gz PCXTYXCTZWLDQE-PVAVHDDUSA-N 1 2 369.396 2.834 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)o1 ZINC001096231365 1019497200 /nfs/dbraw/zinc/49/72/00/1019497200.db2.gz PCXTYXCTZWLDQE-PVAVHDDUSA-N 1 2 369.396 2.834 20 30 FFEDLO C=CCCCC(=O)N1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001069778090 1019595865 /nfs/dbraw/zinc/59/58/65/1019595865.db2.gz LPOBCKKTPLQTJQ-CBGDNZLLSA-N 1 2 370.497 2.711 20 30 FFEDLO C=CCCCC(=O)N1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001069778090 1019595879 /nfs/dbraw/zinc/59/58/79/1019595879.db2.gz LPOBCKKTPLQTJQ-CBGDNZLLSA-N 1 2 370.497 2.711 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC001044037602 1019641243 /nfs/dbraw/zinc/64/12/43/1019641243.db2.gz KZQZMSMHCUJKKY-IHPCNDPISA-N 1 2 358.457 2.937 20 30 FFEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2oc3ccccc3c2Cl)[C@@H](n2ccnn2)C1 ZINC001070073747 1019781863 /nfs/dbraw/zinc/78/18/63/1019781863.db2.gz QXGNSCRWZYKXKZ-KGLIPLIRSA-N 1 2 371.828 2.519 20 30 FFEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2oc3ccccc3c2Cl)[C@@H](n2ccnn2)C1 ZINC001070073747 1019781879 /nfs/dbraw/zinc/78/18/79/1019781879.db2.gz QXGNSCRWZYKXKZ-KGLIPLIRSA-N 1 2 371.828 2.519 20 30 FFEDLO C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)CCCOC1 ZINC001098115864 1019860159 /nfs/dbraw/zinc/86/01/59/1019860159.db2.gz COCJIPUWOOZNOK-JBPLPALLSA-N 1 2 370.468 2.715 20 30 FFEDLO C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)CCCOC1 ZINC001098115864 1019860178 /nfs/dbraw/zinc/86/01/78/1019860178.db2.gz COCJIPUWOOZNOK-JBPLPALLSA-N 1 2 370.468 2.715 20 30 FFEDLO C#CCCC[N@@H+]1C[C@]2(F)CN(CCCCc3ccccc3)C(=O)[C@]2(F)C1 ZINC001276383401 1019878863 /nfs/dbraw/zinc/87/88/63/1019878863.db2.gz FUEMBFJGQPDRPD-LEWJYISDSA-N 1 2 360.448 2.997 20 30 FFEDLO C#CCCC[N@H+]1C[C@]2(F)CN(CCCCc3ccccc3)C(=O)[C@]2(F)C1 ZINC001276383401 1019878874 /nfs/dbraw/zinc/87/88/74/1019878874.db2.gz FUEMBFJGQPDRPD-LEWJYISDSA-N 1 2 360.448 2.997 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000930134301 1019885901 /nfs/dbraw/zinc/88/59/01/1019885901.db2.gz GJCGRHOZZKLJFS-OAQYLSRUSA-N 1 2 359.429 2.942 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000930134301 1019885919 /nfs/dbraw/zinc/88/59/19/1019885919.db2.gz GJCGRHOZZKLJFS-OAQYLSRUSA-N 1 2 359.429 2.942 20 30 FFEDLO Cc1ccc(C#N)c(NC[C@@H]2C[C@H](C)CCN2C(=O)CCc2[nH]cc[nH+]2)n1 ZINC001048139205 1019925893 /nfs/dbraw/zinc/92/58/93/1019925893.db2.gz FWSYLQBPIXJVOV-PBHICJAKSA-N 1 2 366.469 2.657 20 30 FFEDLO COC(=O)[C@@H](OC(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccc(C#N)cc1 ZINC000780087101 1019961814 /nfs/dbraw/zinc/96/18/14/1019961814.db2.gz CCCKENHWEIALBT-ROUUACIJSA-N 1 2 352.390 2.618 20 30 FFEDLO C#CCCCC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H](C)c3nc4ccccc4o3)C[C@@H]21 ZINC001217758717 1032865240 /nfs/dbraw/zinc/86/52/40/1032865240.db2.gz RKBZTJNSCKCGEW-VDZJLULYSA-N 1 2 367.449 2.604 20 30 FFEDLO C#CCCCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H](C)c3nc4ccccc4o3)C[C@@H]21 ZINC001217758717 1032865254 /nfs/dbraw/zinc/86/52/54/1032865254.db2.gz RKBZTJNSCKCGEW-VDZJLULYSA-N 1 2 367.449 2.604 20 30 FFEDLO C#CCCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C)cc3Cl)C[C@@H]21 ZINC001217757921 1032867114 /nfs/dbraw/zinc/86/71/14/1032867114.db2.gz FOOWFPBHMGRTPV-RBUKOAKNSA-N 1 2 360.885 2.864 20 30 FFEDLO C#CCCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C)cc3Cl)C[C@@H]21 ZINC001217757921 1032867134 /nfs/dbraw/zinc/86/71/34/1032867134.db2.gz FOOWFPBHMGRTPV-RBUKOAKNSA-N 1 2 360.885 2.864 20 30 FFEDLO CC(F)(F)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110990932 1020030354 /nfs/dbraw/zinc/03/03/54/1020030354.db2.gz VBKFKEUXXBLXLX-BMFZPTHFSA-N 1 2 351.372 2.964 20 30 FFEDLO CC(F)(F)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110990932 1020030372 /nfs/dbraw/zinc/03/03/72/1020030372.db2.gz VBKFKEUXXBLXLX-BMFZPTHFSA-N 1 2 351.372 2.964 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(C)Cc1cc(C#N)cs1 ZINC000930448770 1020038750 /nfs/dbraw/zinc/03/87/50/1020038750.db2.gz JJIHPHHUMFTXMV-UHFFFAOYSA-N 1 2 371.466 2.824 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(Cl)cc2)O1 ZINC001096038309 1020050877 /nfs/dbraw/zinc/05/08/77/1020050877.db2.gz BGNFJRTVSIMIMO-JIKAWYKTSA-N 1 2 372.896 2.981 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(Cl)cc2)O1 ZINC001096038309 1020050893 /nfs/dbraw/zinc/05/08/93/1020050893.db2.gz BGNFJRTVSIMIMO-JIKAWYKTSA-N 1 2 372.896 2.981 20 30 FFEDLO CCCCC1CCC(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)CC1 ZINC001070715426 1020085539 /nfs/dbraw/zinc/08/55/39/1020085539.db2.gz JUCKDSHTYLFPLK-CSODTCANSA-N 1 2 371.529 2.824 20 30 FFEDLO Cc1cc(NC(=O)N2CCC(Nc3cccc[nH+]3)CC2)nn1CCC#N ZINC000930634526 1020114644 /nfs/dbraw/zinc/11/46/44/1020114644.db2.gz SPQZXEQVXUQSOZ-UHFFFAOYSA-N 1 2 353.430 2.609 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc(C)n1 ZINC001045863373 1020265195 /nfs/dbraw/zinc/26/51/95/1020265195.db2.gz YLLGVRXOQDTTQH-XWSJACJDSA-N 1 2 359.470 2.530 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc(C)n1 ZINC001045863373 1020265207 /nfs/dbraw/zinc/26/52/07/1020265207.db2.gz YLLGVRXOQDTTQH-XWSJACJDSA-N 1 2 359.470 2.530 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)no1 ZINC001096377772 1020281429 /nfs/dbraw/zinc/28/14/29/1020281429.db2.gz BTWBCQNPWMJXET-LJHODMEESA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)no1 ZINC001096377772 1020281439 /nfs/dbraw/zinc/28/14/39/1020281439.db2.gz BTWBCQNPWMJXET-LJHODMEESA-N 1 2 368.412 2.783 20 30 FFEDLO N#Cc1ccc(C2CC[NH+](CN3C(=O)C[C@]4(CCSC4)C3=O)CC2)cc1 ZINC000902589936 1020316188 /nfs/dbraw/zinc/31/61/88/1020316188.db2.gz PFUHVABUFRZACQ-FQEVSTJZSA-N 1 2 369.490 2.577 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001490909004 1020345286 /nfs/dbraw/zinc/34/52/86/1020345286.db2.gz FYHQRFJMBPYGQU-UWJYYQICSA-N 1 2 370.497 2.608 20 30 FFEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000931145410 1020345564 /nfs/dbraw/zinc/34/55/64/1020345564.db2.gz KGXXRJIAYAGWQT-UHFFFAOYSA-N 1 2 350.418 2.878 20 30 FFEDLO N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CC[C@H]3c3ccccc3)C2=O)cc1 ZINC000726587000 1020489824 /nfs/dbraw/zinc/48/98/24/1020489824.db2.gz ULFFQJSWOFXEEV-IBGZPJMESA-N 1 2 360.417 2.727 20 30 FFEDLO N#Cc1ccc(CN2C(=O)CN(C[N@H+]3CC[C@H]3c3ccccc3)C2=O)cc1 ZINC000726587000 1020489830 /nfs/dbraw/zinc/48/98/30/1020489830.db2.gz ULFFQJSWOFXEEV-IBGZPJMESA-N 1 2 360.417 2.727 20 30 FFEDLO Cc1nsc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1C#N ZINC001046166040 1020514851 /nfs/dbraw/zinc/51/48/51/1020514851.db2.gz CXMIPLLDSPJIIM-QHSBEEBCSA-N 1 2 370.482 2.689 20 30 FFEDLO Cc1nsc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1C#N ZINC001046166040 1020514855 /nfs/dbraw/zinc/51/48/55/1020514855.db2.gz CXMIPLLDSPJIIM-QHSBEEBCSA-N 1 2 370.482 2.689 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN1c1cccc(F)c1C#N ZINC001049078114 1020725062 /nfs/dbraw/zinc/72/50/62/1020725062.db2.gz PVJCTUAKSOGLHB-MHRLRVJTSA-N 1 2 367.428 2.698 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN1c1cccc(F)c1C#N ZINC001049078114 1020725070 /nfs/dbraw/zinc/72/50/70/1020725070.db2.gz PVJCTUAKSOGLHB-MHRLRVJTSA-N 1 2 367.428 2.698 20 30 FFEDLO C[C@H]([NH2+][C@@H](c1ncccn1)C1CC1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000932357683 1020778781 /nfs/dbraw/zinc/77/87/81/1020778781.db2.gz DYDZVNMTSOVHOI-WAGVIYRNSA-N 1 2 355.486 2.837 20 30 FFEDLO CN(C)c1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001098389412 1020865131 /nfs/dbraw/zinc/86/51/31/1020865131.db2.gz DRLVWTADVFLNQE-NRSPTQNISA-N 1 2 374.488 2.534 20 30 FFEDLO CN(C)c1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001098389412 1020865140 /nfs/dbraw/zinc/86/51/40/1020865140.db2.gz DRLVWTADVFLNQE-NRSPTQNISA-N 1 2 374.488 2.534 20 30 FFEDLO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000932693125 1020873748 /nfs/dbraw/zinc/87/37/48/1020873748.db2.gz IRJZRSCJMQSXTP-LJQANCHMSA-N 1 2 363.433 2.549 20 30 FFEDLO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000932693125 1020873756 /nfs/dbraw/zinc/87/37/56/1020873756.db2.gz IRJZRSCJMQSXTP-LJQANCHMSA-N 1 2 363.433 2.549 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000933626867 1021052949 /nfs/dbraw/zinc/05/29/49/1021052949.db2.gz CIICPGSPHOFNLV-RBUKOAKNSA-N 1 2 353.378 2.573 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000933626867 1021052953 /nfs/dbraw/zinc/05/29/53/1021052953.db2.gz CIICPGSPHOFNLV-RBUKOAKNSA-N 1 2 353.378 2.573 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@H+](C[C@@H]3CN(c4ccccc4)CCO3)CCO2)cc1 ZINC000933631094 1021055730 /nfs/dbraw/zinc/05/57/30/1021055730.db2.gz ZWXUZXHMDOKRQR-YADHBBJMSA-N 1 2 363.461 2.837 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@@H+](C[C@@H]3CN(c4ccccc4)CCO3)CCO2)cc1 ZINC000933631094 1021055733 /nfs/dbraw/zinc/05/57/33/1021055733.db2.gz ZWXUZXHMDOKRQR-YADHBBJMSA-N 1 2 363.461 2.837 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933650554 1021058701 /nfs/dbraw/zinc/05/87/01/1021058701.db2.gz RMSRGFISCGJBAB-CYBMUJFWSA-N 1 2 373.840 2.876 20 30 FFEDLO N#Cc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c(C2CC2)c1 ZINC000933845332 1021101987 /nfs/dbraw/zinc/10/19/87/1021101987.db2.gz QGVUIGGWMVNYGN-KRWDZBQOSA-N 1 2 354.454 2.764 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934490359 1021257379 /nfs/dbraw/zinc/25/73/79/1021257379.db2.gz KHGJRNDDLDWDKN-RDJZCZTQSA-N 1 2 361.449 2.765 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934490359 1021257388 /nfs/dbraw/zinc/25/73/88/1021257388.db2.gz KHGJRNDDLDWDKN-RDJZCZTQSA-N 1 2 361.449 2.765 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1coc(C)n1)C2 ZINC001098876690 1021295004 /nfs/dbraw/zinc/29/50/04/1021295004.db2.gz SCAUGJMBBOGDTK-JXFKEZNVSA-N 1 2 354.454 2.755 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1coc(C)n1)C2 ZINC001098876690 1021295010 /nfs/dbraw/zinc/29/50/10/1021295010.db2.gz SCAUGJMBBOGDTK-JXFKEZNVSA-N 1 2 354.454 2.755 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2nnc(CC)n2C)C3)CC1 ZINC001099012247 1021589569 /nfs/dbraw/zinc/58/95/69/1021589569.db2.gz VDYSZOBBJTVVNP-UWJYYQICSA-N 1 2 371.529 2.595 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2nnc(CC)n2C)C3)CC1 ZINC001099012247 1021589580 /nfs/dbraw/zinc/58/95/80/1021589580.db2.gz VDYSZOBBJTVVNP-UWJYYQICSA-N 1 2 371.529 2.595 20 30 FFEDLO Cc1oc(C=O)cc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000935271541 1021642549 /nfs/dbraw/zinc/64/25/49/1021642549.db2.gz VCZRMAIXFXACGU-UHFFFAOYSA-N 1 2 351.406 2.689 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncc(C(C)C)o1)C2 ZINC001099037401 1021643433 /nfs/dbraw/zinc/64/34/33/1021643433.db2.gz JXDMWFNFCHUKRT-DLRJPAPCSA-N 1 2 373.497 2.860 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncc(C(C)C)o1)C2 ZINC001099037401 1021643436 /nfs/dbraw/zinc/64/34/36/1021643436.db2.gz JXDMWFNFCHUKRT-DLRJPAPCSA-N 1 2 373.497 2.860 20 30 FFEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001015324273 1021914449 /nfs/dbraw/zinc/91/44/49/1021914449.db2.gz HDJZBLRQHHOKJB-FRYIKTPZSA-N 1 2 372.896 2.697 20 30 FFEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001015324273 1021914467 /nfs/dbraw/zinc/91/44/67/1021914467.db2.gz HDJZBLRQHHOKJB-FRYIKTPZSA-N 1 2 372.896 2.697 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001015725882 1021941306 /nfs/dbraw/zinc/94/13/06/1021941306.db2.gz DUBIEFCDKDTRRL-UHOSZYNNSA-N 1 2 367.449 2.623 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001015725882 1021941313 /nfs/dbraw/zinc/94/13/13/1021941313.db2.gz DUBIEFCDKDTRRL-UHOSZYNNSA-N 1 2 367.449 2.623 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001015819518 1021966946 /nfs/dbraw/zinc/96/69/46/1021966946.db2.gz KCAIRKHQVKSVKE-IEZWGBDMSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001015819518 1021966959 /nfs/dbraw/zinc/96/69/59/1021966959.db2.gz KCAIRKHQVKSVKE-IEZWGBDMSA-N 1 2 359.470 2.614 20 30 FFEDLO COc1ccc(-c2cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc2OC)cc1 ZINC001118090640 1022061729 /nfs/dbraw/zinc/06/17/29/1022061729.db2.gz MUMPEEBRGHTOHF-GOSISDBHSA-N 1 2 369.465 2.989 20 30 FFEDLO COc1ccc(-c2cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc2OC)cc1 ZINC001118090640 1022061748 /nfs/dbraw/zinc/06/17/48/1022061748.db2.gz MUMPEEBRGHTOHF-GOSISDBHSA-N 1 2 369.465 2.989 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccn(CC)n2)C1 ZINC001099289718 1022231456 /nfs/dbraw/zinc/23/14/56/1022231456.db2.gz AJQYFJQQZBSJTC-ZIAGYGMSSA-N 1 2 358.408 2.594 20 30 FFEDLO N#Cc1ccc(OCCC[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000159326344 1022653485 /nfs/dbraw/zinc/65/34/85/1022653485.db2.gz KGYUSBHXIRAFFN-IEBWSBKVSA-N 1 2 356.422 2.745 20 30 FFEDLO N#Cc1ccc(OCCC[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000159326344 1022653498 /nfs/dbraw/zinc/65/34/98/1022653498.db2.gz KGYUSBHXIRAFFN-IEBWSBKVSA-N 1 2 356.422 2.745 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1cc(C(=O)OCC)n[nH]1)c1ccc(Br)cc1 ZINC001119448804 1022775122 /nfs/dbraw/zinc/77/51/22/1022775122.db2.gz MSLZRDGVBIUPAY-CQSZACIVSA-N 1 2 362.227 2.813 20 30 FFEDLO CCOc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)on1 ZINC001095772355 1022801729 /nfs/dbraw/zinc/80/17/29/1022801729.db2.gz QRSDXGNNYYJLSN-UGFHNGPFSA-N 1 2 372.450 2.542 20 30 FFEDLO CCOc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)on1 ZINC001095772355 1022801737 /nfs/dbraw/zinc/80/17/37/1022801737.db2.gz QRSDXGNNYYJLSN-UGFHNGPFSA-N 1 2 372.450 2.542 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001222652298 1033093075 /nfs/dbraw/zinc/09/30/75/1033093075.db2.gz XQWJIIVICVKBQQ-UZLBHIALSA-N 1 2 353.441 2.780 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001222652298 1033093087 /nfs/dbraw/zinc/09/30/87/1033093087.db2.gz XQWJIIVICVKBQQ-UZLBHIALSA-N 1 2 353.441 2.780 20 30 FFEDLO C=CCn1c2nn(C[N@H+]3C[C@H](C)[C@H](C)C3)c(=S)n2c2ccccc2c1=O ZINC000751926968 1022975821 /nfs/dbraw/zinc/97/58/21/1022975821.db2.gz IPJYPLMUZDFEIZ-OKILXGFUSA-N 1 2 369.494 2.911 20 30 FFEDLO C=CCn1c2nn(C[N@@H+]3C[C@H](C)[C@H](C)C3)c(=S)n2c2ccccc2c1=O ZINC000751926968 1022975827 /nfs/dbraw/zinc/97/58/27/1022975827.db2.gz IPJYPLMUZDFEIZ-OKILXGFUSA-N 1 2 369.494 2.911 20 30 FFEDLO CCOC(=O)CC[C@H]1CCC[N@@H+]([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000752053065 1023039042 /nfs/dbraw/zinc/03/90/42/1023039042.db2.gz OLUITNRYYLZHDX-APWZRJJASA-N 1 2 358.438 2.828 20 30 FFEDLO CCOC(=O)CC[C@H]1CCC[N@H+]([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000752053065 1023039051 /nfs/dbraw/zinc/03/90/51/1023039051.db2.gz OLUITNRYYLZHDX-APWZRJJASA-N 1 2 358.438 2.828 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@H](CC)C1 ZINC001122478122 1023294861 /nfs/dbraw/zinc/29/48/61/1023294861.db2.gz AJBQNDJBPZRDPX-KRWDZBQOSA-N 1 2 361.534 2.685 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](C(C)(C)O)C1 ZINC001122622425 1023374774 /nfs/dbraw/zinc/37/47/74/1023374774.db2.gz BXXHOXIHZDDLGY-IRXDYDNUSA-N 1 2 361.534 2.998 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](C(C)(C)O)C1 ZINC001122622425 1023374781 /nfs/dbraw/zinc/37/47/81/1023374781.db2.gz BXXHOXIHZDDLGY-IRXDYDNUSA-N 1 2 361.534 2.998 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001120774738 1023462560 /nfs/dbraw/zinc/46/25/60/1023462560.db2.gz CMXGZWKFHNDQPB-ZVZYQTTQSA-N 1 2 358.486 2.902 20 30 FFEDLO C[N@@H+]1CCC[C@H]1c1nnc(N2CCC[C@@H](C#N)C2)n1Cc1cccs1 ZINC001123006380 1023592203 /nfs/dbraw/zinc/59/22/03/1023592203.db2.gz IXOUIFXLASYDAM-HOCLYGCPSA-N 1 2 356.499 2.895 20 30 FFEDLO C[N@H+]1CCC[C@H]1c1nnc(N2CCC[C@@H](C#N)C2)n1Cc1cccs1 ZINC001123006380 1023592205 /nfs/dbraw/zinc/59/22/05/1023592205.db2.gz IXOUIFXLASYDAM-HOCLYGCPSA-N 1 2 356.499 2.895 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC001121509874 1023818445 /nfs/dbraw/zinc/81/84/45/1023818445.db2.gz PNTRJTPBIIYJAU-INIZCTEOSA-N 1 2 371.485 2.972 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC001121509874 1023818451 /nfs/dbraw/zinc/81/84/51/1023818451.db2.gz PNTRJTPBIIYJAU-INIZCTEOSA-N 1 2 371.485 2.972 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc([C@@]2(C)C[C@H](O)C[N@H+]2C)n1CC1CC1 ZINC001123514609 1023843396 /nfs/dbraw/zinc/84/33/96/1023843396.db2.gz DVFGRQIAEXWNGD-FUHIMQAGSA-N 1 2 359.518 2.535 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc([C@@]2(C)C[C@H](O)C[N@@H+]2C)n1CC1CC1 ZINC001123514609 1023843409 /nfs/dbraw/zinc/84/34/09/1023843409.db2.gz DVFGRQIAEXWNGD-FUHIMQAGSA-N 1 2 359.518 2.535 20 30 FFEDLO C=CCn1c(C[C@H](C)SC)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001121656434 1023907392 /nfs/dbraw/zinc/90/73/92/1023907392.db2.gz RLXKSDVPBHXBLS-AWEZNQCLSA-N 1 2 372.542 2.782 20 30 FFEDLO Cc1ccn(C[N@H+]2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(=O)c1C#N ZINC000758239327 1023988677 /nfs/dbraw/zinc/98/86/77/1023988677.db2.gz YBTRDSBJGJQALW-HOTGVXAUSA-N 1 2 374.485 2.611 20 30 FFEDLO Cc1ccn(C[N@@H+]2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(=O)c1C#N ZINC000758239327 1023988686 /nfs/dbraw/zinc/98/86/86/1023988686.db2.gz YBTRDSBJGJQALW-HOTGVXAUSA-N 1 2 374.485 2.611 20 30 FFEDLO CC(C)(C)C1=CC[N@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 ZINC000758357251 1024068331 /nfs/dbraw/zinc/06/83/31/1024068331.db2.gz FXRSOHRZUOSLLU-NRFANRHFSA-N 1 2 366.465 2.961 20 30 FFEDLO CC(C)(C)C1=CC[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 ZINC000758357251 1024068343 /nfs/dbraw/zinc/06/83/43/1024068343.db2.gz FXRSOHRZUOSLLU-NRFANRHFSA-N 1 2 366.465 2.961 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CC4)nn3C)C[C@@]2(C)C1 ZINC001101336911 1024483868 /nfs/dbraw/zinc/48/38/68/1024483868.db2.gz UWACGSGNSRIXRC-CEQIKUNHSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CC4)nn3C)C[C@@]2(C)C1 ZINC001101336911 1024483875 /nfs/dbraw/zinc/48/38/75/1024483875.db2.gz UWACGSGNSRIXRC-CEQIKUNHSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)n3C)C[C@@]2(C)C1 ZINC001101337827 1024487914 /nfs/dbraw/zinc/48/79/14/1024487914.db2.gz NBYNHKLNNUQION-XPIZARPCSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)n3C)C[C@@]2(C)C1 ZINC001101337827 1024487918 /nfs/dbraw/zinc/48/79/18/1024487918.db2.gz NBYNHKLNNUQION-XPIZARPCSA-N 1 2 371.529 2.575 20 30 FFEDLO COc1ccc([C@@H](NC(=O)CO[NH+]=C(N)c2ccccc2)C2CC2)cc1 ZINC000193490371 1024544395 /nfs/dbraw/zinc/54/43/95/1024544395.db2.gz XWTCUKGWTNDRCU-IBGZPJMESA-N 1 2 353.422 2.600 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3CCC)C[C@@]2(C)C1 ZINC001101377604 1024584164 /nfs/dbraw/zinc/58/41/64/1024584164.db2.gz CGXPCDSOAWUYJA-UZLBHIALSA-N 1 2 359.518 2.571 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3CCC)C[C@@]2(C)C1 ZINC001101377604 1024584170 /nfs/dbraw/zinc/58/41/70/1024584170.db2.gz CGXPCDSOAWUYJA-UZLBHIALSA-N 1 2 359.518 2.571 20 30 FFEDLO C[C@H](NC(=O)CO[NH+]=C(N)Cc1cccnc1)c1ccc2c(c1)CCCC2 ZINC000193684871 1024642558 /nfs/dbraw/zinc/64/25/58/1024642558.db2.gz CYWJVXNUIKURGW-HNNXBMFYSA-N 1 2 366.465 2.669 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866260 1025151111 /nfs/dbraw/zinc/15/11/11/1025151111.db2.gz WNEILFNCNBSHQV-MRXNPFEDSA-N 1 2 363.477 2.769 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001102003758 1025282414 /nfs/dbraw/zinc/28/24/14/1025282414.db2.gz OIZOVCWPHFDEOI-ZIAGYGMSSA-N 1 2 366.531 2.723 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001102003758 1025282421 /nfs/dbraw/zinc/28/24/21/1025282421.db2.gz OIZOVCWPHFDEOI-ZIAGYGMSSA-N 1 2 366.531 2.723 20 30 FFEDLO COCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4cc(F)ccc4C#N)[C@H]3C2)CC1 ZINC001223109190 1033291079 /nfs/dbraw/zinc/29/10/79/1033291079.db2.gz AFWOCWOSWGRRIY-BEFAXECRSA-N 1 2 371.456 2.547 20 30 FFEDLO COCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cc(F)ccc4C#N)[C@H]3C2)CC1 ZINC001223109190 1033291085 /nfs/dbraw/zinc/29/10/85/1033291085.db2.gz AFWOCWOSWGRRIY-BEFAXECRSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001141163758 1025547735 /nfs/dbraw/zinc/54/77/35/1025547735.db2.gz RQMWGZYDLBALOM-PMACEKPBSA-N 1 2 353.397 2.905 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001141163758 1025547745 /nfs/dbraw/zinc/54/77/45/1025547745.db2.gz RQMWGZYDLBALOM-PMACEKPBSA-N 1 2 353.397 2.905 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc(O)c1OC ZINC001141168393 1025555645 /nfs/dbraw/zinc/55/56/45/1025555645.db2.gz MPLRRYICEFFRNJ-UHFFFAOYSA-N 1 2 353.422 2.603 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)cc(O)c1OC ZINC001141171974 1025561361 /nfs/dbraw/zinc/56/13/61/1025561361.db2.gz LEZDKMOGILIWLE-UHFFFAOYSA-N 1 2 353.422 2.603 20 30 FFEDLO N#CC[N@@H+](CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1CCCC1 ZINC000839496953 1026702188 /nfs/dbraw/zinc/70/21/88/1026702188.db2.gz MWJYGMDFXQYZLR-UHFFFAOYSA-N 1 2 374.510 2.823 20 30 FFEDLO N#CC[N@H+](CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1CCCC1 ZINC000839496953 1026702198 /nfs/dbraw/zinc/70/21/98/1026702198.db2.gz MWJYGMDFXQYZLR-UHFFFAOYSA-N 1 2 374.510 2.823 20 30 FFEDLO N#CCCn1cc(C(=O)Cn2cc(C[NH+]3CCCC3)nn2)c2ccccc21 ZINC000640850970 1026974378 /nfs/dbraw/zinc/97/43/78/1026974378.db2.gz OBPQXMFXPGCCPI-UHFFFAOYSA-N 1 2 362.437 2.625 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)Nc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000840306883 1027040827 /nfs/dbraw/zinc/04/08/27/1027040827.db2.gz YPMYJPGCMJSPEG-BHIYHBOVSA-N 1 2 350.466 2.730 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)Nc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000840306883 1027040831 /nfs/dbraw/zinc/04/08/31/1027040831.db2.gz YPMYJPGCMJSPEG-BHIYHBOVSA-N 1 2 350.466 2.730 20 30 FFEDLO Cc1nc(C#N)cnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001158550969 1027058587 /nfs/dbraw/zinc/05/85/87/1027058587.db2.gz CPTDLIFCKRKYPG-INIZCTEOSA-N 1 2 361.371 2.910 20 30 FFEDLO Cc1nc(C#N)cnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001158550969 1027058592 /nfs/dbraw/zinc/05/85/92/1027058592.db2.gz CPTDLIFCKRKYPG-INIZCTEOSA-N 1 2 361.371 2.910 20 30 FFEDLO Cc1nc(NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCCC2)ccc1C#N ZINC001103470613 1027554252 /nfs/dbraw/zinc/55/42/52/1027554252.db2.gz ZDJDZAVUBPYYQB-HZPDHXFCSA-N 1 2 364.453 2.629 20 30 FFEDLO Cc1nc(NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCCC2)ccc1C#N ZINC001103470613 1027554261 /nfs/dbraw/zinc/55/42/61/1027554261.db2.gz ZDJDZAVUBPYYQB-HZPDHXFCSA-N 1 2 364.453 2.629 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCC1=CC[N@H+]([C@H](C)c2ncccn2)CC1 ZINC001160155918 1027612643 /nfs/dbraw/zinc/61/26/43/1027612643.db2.gz LJILYDODKFVWIM-QRQLOZEOSA-N 1 2 370.497 2.657 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCC1=CC[N@@H+]([C@H](C)c2ncccn2)CC1 ZINC001160155918 1027612649 /nfs/dbraw/zinc/61/26/49/1027612649.db2.gz LJILYDODKFVWIM-QRQLOZEOSA-N 1 2 370.497 2.657 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2noc(CC(C)C)n2)C1 ZINC001104127063 1028593168 /nfs/dbraw/zinc/59/31/68/1028593168.db2.gz ORJWWAKZIPUGBJ-IAGOWNOFSA-N 1 2 360.502 2.646 20 30 FFEDLO COC(=O)[C@H](C#N)c1nc2ccccc2nc1NCc1ccc2[nH+]ccn2c1 ZINC001163140828 1028822874 /nfs/dbraw/zinc/82/28/74/1028822874.db2.gz NCRVCIBWJDRYBA-CQSZACIVSA-N 1 2 372.388 2.670 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1cscn1 ZINC001155730349 1028877798 /nfs/dbraw/zinc/87/77/98/1028877798.db2.gz KDDANDOJXSDOKE-PVAVHDDUSA-N 1 2 351.516 2.841 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cscn1 ZINC001155730349 1028877811 /nfs/dbraw/zinc/87/78/11/1028877811.db2.gz KDDANDOJXSDOKE-PVAVHDDUSA-N 1 2 351.516 2.841 20 30 FFEDLO Cc1cc(Cl)nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1C#N ZINC001163897170 1029108473 /nfs/dbraw/zinc/10/84/73/1029108473.db2.gz VPNRFNGNRCKTKV-UHFFFAOYSA-N 1 2 370.840 2.966 20 30 FFEDLO N#Cc1ccc2[nH]c(C(=O)N3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)cc2c1 ZINC001156456821 1029198617 /nfs/dbraw/zinc/19/86/17/1029198617.db2.gz ISVYFUCEHXKMOY-KRWDZBQOSA-N 1 2 358.392 2.985 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(C(C)(C)C)nn1)C2 ZINC001111713022 1029215997 /nfs/dbraw/zinc/21/59/97/1029215997.db2.gz QTGSDYJVYTXRPW-UWJYYQICSA-N 1 2 371.529 2.697 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(C(C)(C)C)nn1)C2 ZINC001111713022 1029216016 /nfs/dbraw/zinc/21/60/16/1029216016.db2.gz QTGSDYJVYTXRPW-UWJYYQICSA-N 1 2 371.529 2.697 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C#CC(C)(C)C)C1 ZINC001111741981 1029307295 /nfs/dbraw/zinc/30/72/95/1029307295.db2.gz YVVRWXZIIQHYTK-YOEHRIQHSA-N 1 2 353.304 2.915 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C#CC(C)(C)C)C1 ZINC001111741981 1029307305 /nfs/dbraw/zinc/30/73/05/1029307305.db2.gz YVVRWXZIIQHYTK-YOEHRIQHSA-N 1 2 353.304 2.915 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1nc(COC)no1)C2 ZINC001111764907 1029382316 /nfs/dbraw/zinc/38/23/16/1029382316.db2.gz JBCAOTFPRNIJJJ-DOXZYTNZSA-N 1 2 362.474 2.604 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1nc(COC)no1)C2 ZINC001111764907 1029382323 /nfs/dbraw/zinc/38/23/23/1029382323.db2.gz JBCAOTFPRNIJJJ-DOXZYTNZSA-N 1 2 362.474 2.604 20 30 FFEDLO Cc1ccc([C@H](C#N)c2ccc(N[C@@H]3CCC[N@@H+](C4COC4)C3)nn2)cc1 ZINC001157580664 1029621597 /nfs/dbraw/zinc/62/15/97/1029621597.db2.gz BYCJJNGAYKMOCL-MJGOQNOKSA-N 1 2 363.465 2.716 20 30 FFEDLO Cc1ccc([C@H](C#N)c2ccc(N[C@@H]3CCC[N@H+](C4COC4)C3)nn2)cc1 ZINC001157580664 1029621604 /nfs/dbraw/zinc/62/16/04/1029621604.db2.gz BYCJJNGAYKMOCL-MJGOQNOKSA-N 1 2 363.465 2.716 20 30 FFEDLO C=C[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnon1)C2)c1ccccc1 ZINC001111996170 1029845621 /nfs/dbraw/zinc/84/56/21/1029845621.db2.gz NSDAGKBWOBTVFW-QRFRQXIXSA-N 1 2 352.438 2.510 20 30 FFEDLO C=C[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnon1)C2)c1ccccc1 ZINC001111996170 1029845626 /nfs/dbraw/zinc/84/56/26/1029845626.db2.gz NSDAGKBWOBTVFW-QRFRQXIXSA-N 1 2 352.438 2.510 20 30 FFEDLO Cc1cc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2C(F)(F)F)on1 ZINC001112098760 1030001123 /nfs/dbraw/zinc/00/11/23/1030001123.db2.gz SALVRWNVZVVLKG-ZIAGYGMSSA-N 1 2 357.376 2.511 20 30 FFEDLO N#Cc1c[nH]c2nc(N3Cc4c[nH+]cn4C[C@H](COCC4CC4)C3)ccc12 ZINC001165689857 1030083773 /nfs/dbraw/zinc/08/37/73/1030083773.db2.gz AUIYGVCKBULLEQ-OAHLLOKOSA-N 1 2 362.437 2.694 20 30 FFEDLO N#CCc1ccc(CON=C(N)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000784058403 1030446990 /nfs/dbraw/zinc/44/69/90/1030446990.db2.gz GJVYQCRNUUUVCE-HXUWFJFHSA-N 1 2 364.449 2.652 20 30 FFEDLO N#CCc1ccc(CON=C(N)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000784058403 1030446999 /nfs/dbraw/zinc/44/69/99/1030446999.db2.gz GJVYQCRNUUUVCE-HXUWFJFHSA-N 1 2 364.449 2.652 20 30 FFEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCC3(C#N)CCC3)CC2)cc1 ZINC000842176962 1030635811 /nfs/dbraw/zinc/63/58/11/1030635811.db2.gz FTEJOKCRSHYTRO-UHFFFAOYSA-N 1 2 355.486 2.714 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC(C)C)c1C#N ZINC000796718922 1030894725 /nfs/dbraw/zinc/89/47/25/1030894725.db2.gz XNMUZAGDNKMXNG-INIZCTEOSA-N 1 2 373.453 2.834 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCCC[C@H]2COC(=O)NC(C)C)c1C#N ZINC000796718922 1030894751 /nfs/dbraw/zinc/89/47/51/1030894751.db2.gz XNMUZAGDNKMXNG-INIZCTEOSA-N 1 2 373.453 2.834 20 30 FFEDLO N#Cc1ccccc1CN1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001204367342 1031256238 /nfs/dbraw/zinc/25/62/38/1031256238.db2.gz HXIGNANNQMXAAT-KRWDZBQOSA-N 1 2 359.433 2.861 20 30 FFEDLO N#Cc1ccc(F)c(C[NH+]2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)c1F ZINC001143169502 1031280890 /nfs/dbraw/zinc/28/08/90/1031280890.db2.gz HNVQDVAQLGNOBX-KBPBESRZSA-N 1 2 360.433 2.857 20 30 FFEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1c(F)ccc(C#N)c1F)C2 ZINC001143170482 1031281890 /nfs/dbraw/zinc/28/18/90/1031281890.db2.gz HAUTTXWIULCAOA-UHFFFAOYSA-N 1 2 374.439 2.674 20 30 FFEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1c(F)ccc(C#N)c1F)C2 ZINC001143170482 1031281898 /nfs/dbraw/zinc/28/18/98/1031281898.db2.gz HAUTTXWIULCAOA-UHFFFAOYSA-N 1 2 374.439 2.674 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](Oc3ccc(C(N)=O)cc3)C2)c1F ZINC001143179138 1031284564 /nfs/dbraw/zinc/28/45/64/1031284564.db2.gz URNOOAYURNXPLW-INIZCTEOSA-N 1 2 371.387 2.979 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](Oc3ccc(C(N)=O)cc3)C2)c1F ZINC001143179138 1031284575 /nfs/dbraw/zinc/28/45/75/1031284575.db2.gz URNOOAYURNXPLW-INIZCTEOSA-N 1 2 371.387 2.979 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001223337952 1033401708 /nfs/dbraw/zinc/40/17/08/1033401708.db2.gz CVYHLSITFBIJMG-INMHGKMJSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001223337952 1033401711 /nfs/dbraw/zinc/40/17/11/1033401711.db2.gz CVYHLSITFBIJMG-INMHGKMJSA-N 1 2 358.486 2.972 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CCC4)n3C)[C@H]2C1 ZINC001223401653 1033427515 /nfs/dbraw/zinc/42/75/15/1033427515.db2.gz OLLIQHLGGKLVJF-AEFFLSMTSA-N 1 2 371.529 2.862 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CCC4)n3C)[C@H]2C1 ZINC001223401653 1033427520 /nfs/dbraw/zinc/42/75/20/1033427520.db2.gz OLLIQHLGGKLVJF-AEFFLSMTSA-N 1 2 371.529 2.862 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(CC)o4)[C@H]3C2)CCC1 ZINC001223459730 1033453242 /nfs/dbraw/zinc/45/32/42/1033453242.db2.gz PVWBESKVCMSKLK-CVEARBPZSA-N 1 2 358.486 2.801 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc(CC)o4)[C@H]3C2)CCC1 ZINC001223459730 1033453247 /nfs/dbraw/zinc/45/32/47/1033453247.db2.gz PVWBESKVCMSKLK-CVEARBPZSA-N 1 2 358.486 2.801 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3nc4ccccc4o3)C[C@@H]2O)CC1 ZINC001220289859 1034101277 /nfs/dbraw/zinc/10/12/77/1034101277.db2.gz FOCUOJXZBFYQIE-OIISXLGYSA-N 1 2 369.465 2.797 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3nc4ccccc4o3)C[C@@H]2O)CC1 ZINC001220289859 1034101282 /nfs/dbraw/zinc/10/12/82/1034101282.db2.gz FOCUOJXZBFYQIE-OIISXLGYSA-N 1 2 369.465 2.797 20 30 FFEDLO CCC(CC)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001220618198 1034290758 /nfs/dbraw/zinc/29/07/58/1034290758.db2.gz JNQMOOSAMIHVSL-MSOLQXFVSA-N 1 2 361.461 2.575 20 30 FFEDLO CCC(CC)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001220618198 1034290766 /nfs/dbraw/zinc/29/07/66/1034290766.db2.gz JNQMOOSAMIHVSL-MSOLQXFVSA-N 1 2 361.461 2.575 20 30 FFEDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@]2(C#N)CCCOC2)CC1 ZINC000831867799 1034361279 /nfs/dbraw/zinc/36/12/79/1034361279.db2.gz FZAJONBPSIMKNW-AZUAARDMSA-N 1 2 359.445 2.741 20 30 FFEDLO CC(C)(C)CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001221038354 1034516152 /nfs/dbraw/zinc/51/61/52/1034516152.db2.gz KJDJGAPGJJNRLP-CVEARBPZSA-N 1 2 363.527 2.743 20 30 FFEDLO CC(C)(C)CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001221038354 1034516160 /nfs/dbraw/zinc/51/61/60/1034516160.db2.gz KJDJGAPGJJNRLP-CVEARBPZSA-N 1 2 363.527 2.743 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3ccnn3[C@@H]3CCCCO3)CC2)c1 ZINC001138789953 1034663190 /nfs/dbraw/zinc/66/31/90/1034663190.db2.gz UJAAPFXYIQEZHF-FQEVSTJZSA-N 1 2 351.454 2.776 20 30 FFEDLO CCCSCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221348282 1034684329 /nfs/dbraw/zinc/68/43/29/1034684329.db2.gz GYXSCKRTUJMNQL-CRAIPNDOSA-N 1 2 361.486 2.873 20 30 FFEDLO CCCSCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221348282 1034684335 /nfs/dbraw/zinc/68/43/35/1034684335.db2.gz GYXSCKRTUJMNQL-CRAIPNDOSA-N 1 2 361.486 2.873 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001221421691 1034734512 /nfs/dbraw/zinc/73/45/12/1034734512.db2.gz DXEVMDVKTIECSV-SPYBWZPUSA-N 1 2 364.436 2.979 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001221421691 1034734528 /nfs/dbraw/zinc/73/45/28/1034734528.db2.gz DXEVMDVKTIECSV-SPYBWZPUSA-N 1 2 364.436 2.979 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(F)c3F)C[C@H]21 ZINC001221423716 1034740782 /nfs/dbraw/zinc/74/07/82/1034740782.db2.gz PDGIXOBJCYKKMH-HDMKZQKVSA-N 1 2 364.436 2.979 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(F)c3F)C[C@H]21 ZINC001221423716 1034740797 /nfs/dbraw/zinc/74/07/97/1034740797.db2.gz PDGIXOBJCYKKMH-HDMKZQKVSA-N 1 2 364.436 2.979 20 30 FFEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC001138885395 1034776467 /nfs/dbraw/zinc/77/64/67/1034776467.db2.gz LGIGSFILXYMOBA-UHFFFAOYSA-N 1 2 356.401 2.885 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001221533326 1034850310 /nfs/dbraw/zinc/85/03/10/1034850310.db2.gz GLTSKDFKCFSDJZ-UYAOXDASSA-N 1 2 354.881 2.884 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001221533326 1034850322 /nfs/dbraw/zinc/85/03/22/1034850322.db2.gz GLTSKDFKCFSDJZ-UYAOXDASSA-N 1 2 354.881 2.884 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@H](C)CCC)C[C@H]21 ZINC001221571906 1034884331 /nfs/dbraw/zinc/88/43/31/1034884331.db2.gz FQDOHADUCMJZQJ-BHIYHBOVSA-N 1 2 361.530 2.592 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@H](C)CCC)C[C@H]21 ZINC001221571906 1034884339 /nfs/dbraw/zinc/88/43/39/1034884339.db2.gz FQDOHADUCMJZQJ-BHIYHBOVSA-N 1 2 361.530 2.592 20 30 FFEDLO N#Cc1ccc(F)c(CN2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c1 ZINC001139647730 1035188495 /nfs/dbraw/zinc/18/84/95/1035188495.db2.gz OCRMFBAUUMEGIV-KRWDZBQOSA-N 1 2 354.429 2.952 20 30 FFEDLO N#Cc1ccc(F)c(CN2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c1 ZINC001139647731 1035188592 /nfs/dbraw/zinc/18/85/92/1035188592.db2.gz OCRMFBAUUMEGIV-QGZVFWFLSA-N 1 2 354.429 2.952 20 30 FFEDLO N#Cc1cccc2c(C[N@@H+]3CCCn4c(Cn5cccc5)nnc4C3)c[nH]c21 ZINC001139704976 1035202306 /nfs/dbraw/zinc/20/23/06/1035202306.db2.gz HUNJKOMGFBKLAH-UHFFFAOYSA-N 1 2 371.448 2.887 20 30 FFEDLO N#Cc1cccc2c(C[N@H+]3CCCn4c(Cn5cccc5)nnc4C3)c[nH]c21 ZINC001139704976 1035202310 /nfs/dbraw/zinc/20/23/10/1035202310.db2.gz HUNJKOMGFBKLAH-UHFFFAOYSA-N 1 2 371.448 2.887 20 30 FFEDLO CCOC(=O)c1csc(N2CC[NH+](Cc3ccc(C)c(C#N)c3)CC2)n1 ZINC001139726492 1035210016 /nfs/dbraw/zinc/21/00/16/1035210016.db2.gz RSWHTGMPCBWDBG-UHFFFAOYSA-N 1 2 370.478 2.822 20 30 FFEDLO C=CCn1cc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)cn1 ZINC001139765783 1035224253 /nfs/dbraw/zinc/22/42/53/1035224253.db2.gz GIFMZISORNSDKT-UHFFFAOYSA-N 1 2 362.275 2.549 20 30 FFEDLO C=CCn1cc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)cn1 ZINC001139771833 1035227986 /nfs/dbraw/zinc/22/79/86/1035227986.db2.gz QLNBCTSVKZTEFU-QHAWAJNXSA-N 1 2 368.481 2.660 20 30 FFEDLO C=CCn1cc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)cn1 ZINC001139771833 1035227989 /nfs/dbraw/zinc/22/79/89/1035227989.db2.gz QLNBCTSVKZTEFU-QHAWAJNXSA-N 1 2 368.481 2.660 20 30 FFEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC001140103526 1035343255 /nfs/dbraw/zinc/34/32/55/1035343255.db2.gz NJWJPEVJBXWHPK-UHFFFAOYSA-N 1 2 367.243 2.824 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2N)C1 ZINC001232527962 1035777674 /nfs/dbraw/zinc/77/76/74/1035777674.db2.gz QQPLEFIPYCFEEB-CYBMUJFWSA-N 1 2 368.275 2.908 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Br)c2N)C1 ZINC001232527962 1035777692 /nfs/dbraw/zinc/77/76/92/1035777692.db2.gz QQPLEFIPYCFEEB-CYBMUJFWSA-N 1 2 368.275 2.908 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2[nH]nc3cc(OC)ccc32)C1=O ZINC001277257604 1035841547 /nfs/dbraw/zinc/84/15/47/1035841547.db2.gz HJSGMYHQTVRLHQ-FQEVSTJZSA-N 1 2 354.454 2.715 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2[nH]nc3cc(OC)ccc32)C1=O ZINC001277257604 1035841569 /nfs/dbraw/zinc/84/15/69/1035841569.db2.gz HJSGMYHQTVRLHQ-FQEVSTJZSA-N 1 2 354.454 2.715 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(C[C@@H](c4cncnc4)CO3)CC2)c1 ZINC001232677942 1035937273 /nfs/dbraw/zinc/93/72/73/1035937273.db2.gz SBRCUGQNTAICML-QGZVFWFLSA-N 1 2 350.422 2.593 20 30 FFEDLO CCOc1cc([C@H]2OC[C@H](C)O2)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001228164129 1035968853 /nfs/dbraw/zinc/96/88/53/1035968853.db2.gz JFJPUBSFASFBLR-SFRHDWFBSA-N 1 2 361.438 2.510 20 30 FFEDLO CCOc1cc([C@H]2OC[C@H](C)O2)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001228164129 1035968856 /nfs/dbraw/zinc/96/88/56/1035968856.db2.gz JFJPUBSFASFBLR-SFRHDWFBSA-N 1 2 361.438 2.510 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001232890183 1036133030 /nfs/dbraw/zinc/13/30/30/1036133030.db2.gz YVOOMEJRPQOKIJ-UFYCRDLUSA-N 1 2 353.397 2.903 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001232890183 1036133034 /nfs/dbraw/zinc/13/30/34/1036133034.db2.gz YVOOMEJRPQOKIJ-UFYCRDLUSA-N 1 2 353.397 2.903 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccccc1-n1cccc1 ZINC001232908986 1036146983 /nfs/dbraw/zinc/14/69/83/1036146983.db2.gz CNWOXKNRJXWJCE-FQEVSTJZSA-N 1 2 363.465 2.908 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1ccccc1-n1cccc1 ZINC001232908986 1036146987 /nfs/dbraw/zinc/14/69/87/1036146987.db2.gz CNWOXKNRJXWJCE-FQEVSTJZSA-N 1 2 363.465 2.908 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cnc3cccc(Cl)n13)CC2 ZINC001233356930 1036553557 /nfs/dbraw/zinc/55/35/57/1036553557.db2.gz CPDONNFRMOTFIT-UHFFFAOYSA-N 1 2 371.872 2.982 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cnc3cccc(Cl)n13)CC2 ZINC001233356930 1036553562 /nfs/dbraw/zinc/55/35/62/1036553562.db2.gz CPDONNFRMOTFIT-UHFFFAOYSA-N 1 2 371.872 2.982 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC001206957584 1036988408 /nfs/dbraw/zinc/98/84/08/1036988408.db2.gz FLGASIFLVJCMEX-CXAGYDPISA-N 1 2 369.292 2.970 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC001206957584 1036988415 /nfs/dbraw/zinc/98/84/15/1036988415.db2.gz FLGASIFLVJCMEX-CXAGYDPISA-N 1 2 369.292 2.970 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nnc(C)o2)C[C@H]1C ZINC001206966746 1036994318 /nfs/dbraw/zinc/99/43/18/1036994318.db2.gz WNVYMAXZAHKCOP-HLLBOEOZSA-N 1 2 364.490 2.639 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nnc(C)o2)C[C@H]1C ZINC001206966746 1036994332 /nfs/dbraw/zinc/99/43/32/1036994332.db2.gz WNVYMAXZAHKCOP-HLLBOEOZSA-N 1 2 364.490 2.639 20 30 FFEDLO CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(C#N)c1F)C2 ZINC001276506158 1037122877 /nfs/dbraw/zinc/12/28/77/1037122877.db2.gz LTKMEESDQMHPHN-FOIQADDNSA-N 1 2 359.445 2.547 20 30 FFEDLO CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1cccc(C#N)c1F)C2 ZINC001276506158 1037122883 /nfs/dbraw/zinc/12/28/83/1037122883.db2.gz LTKMEESDQMHPHN-FOIQADDNSA-N 1 2 359.445 2.547 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ncc(C)s2)C[C@H]1C)OCC ZINC001207255879 1037288961 /nfs/dbraw/zinc/28/89/61/1037288961.db2.gz RLHVRGZNDGAPGM-BMFZPTHFSA-N 1 2 351.516 2.759 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)s2)C[C@H]1C)OCC ZINC001207255879 1037288975 /nfs/dbraw/zinc/28/89/75/1037288975.db2.gz RLHVRGZNDGAPGM-BMFZPTHFSA-N 1 2 351.516 2.759 20 30 FFEDLO CC(=O)[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)cc(C#N)c1)CC2 ZINC001277480037 1037438682 /nfs/dbraw/zinc/43/86/82/1037438682.db2.gz ZSCZHQFLSUUGAT-FZKQIMNGSA-N 1 2 373.884 2.907 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C(C)(C)C)C2)c1 ZINC001207716497 1037676266 /nfs/dbraw/zinc/67/62/66/1037676266.db2.gz IHNHYNKLHUQLAA-GPMSIDNRSA-N 1 2 369.509 2.725 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C(C)(C)C)C2)c1 ZINC001207716497 1037676274 /nfs/dbraw/zinc/67/62/74/1037676274.db2.gz IHNHYNKLHUQLAA-GPMSIDNRSA-N 1 2 369.509 2.725 20 30 FFEDLO COc1cc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)c(O)cc1Br ZINC001236748578 1038233195 /nfs/dbraw/zinc/23/31/95/1038233195.db2.gz RTICCAUHQQQPIP-CQSZACIVSA-N 1 2 370.268 2.937 20 30 FFEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)c(O)cc1F)CC2 ZINC001276567471 1038236250 /nfs/dbraw/zinc/23/62/50/1038236250.db2.gz ZTFHSUASDOXPFR-CQSZACIVSA-N 1 2 363.408 2.692 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3c(O)ccc(F)c3Cl)C2)OCC1=O ZINC001278022843 1038327165 /nfs/dbraw/zinc/32/71/65/1038327165.db2.gz AUNLRLKOPVXLCI-SFHVURJKSA-N 1 2 368.836 2.564 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3c(O)ccc(F)c3Cl)C2)OCC1=O ZINC001278022843 1038327180 /nfs/dbraw/zinc/32/71/80/1038327180.db2.gz AUNLRLKOPVXLCI-SFHVURJKSA-N 1 2 368.836 2.564 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)ccc(F)c1Cl ZINC001278023047 1038329853 /nfs/dbraw/zinc/32/98/53/1038329853.db2.gz IFEHEHOHVGVXJC-SFHVURJKSA-N 1 2 350.821 2.775 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC001208511600 1038374312 /nfs/dbraw/zinc/37/43/12/1038374312.db2.gz AXPMMOALZPDZEM-PJIJBLCYSA-N 1 2 358.442 2.868 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC001208511600 1038374322 /nfs/dbraw/zinc/37/43/22/1038374322.db2.gz AXPMMOALZPDZEM-PJIJBLCYSA-N 1 2 358.442 2.868 20 30 FFEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC001256644567 1038589344 /nfs/dbraw/zinc/58/93/44/1038589344.db2.gz XKECBIAZZOZHLI-QUCCMNQESA-N 1 2 364.445 2.798 20 30 FFEDLO C=CCN(CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1)C(=O)OCC ZINC001209022640 1038637215 /nfs/dbraw/zinc/63/72/15/1038637215.db2.gz PTCDERJWOXDBKA-UHFFFAOYSA-N 1 2 367.490 2.716 20 30 FFEDLO C=CCN(CC[N@H+]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1)C(=O)OCC ZINC001209022640 1038637218 /nfs/dbraw/zinc/63/72/18/1038637218.db2.gz PTCDERJWOXDBKA-UHFFFAOYSA-N 1 2 367.490 2.716 20 30 FFEDLO C=CC[C@@H]([NH2+]C1CCN(c2ncccc2C(F)(F)F)CC1)C(=O)OC ZINC001256881879 1038644965 /nfs/dbraw/zinc/64/49/65/1038644965.db2.gz SWVFZODXCFFNND-CQSZACIVSA-N 1 2 357.376 2.777 20 30 FFEDLO COC(=O)[C@H]([NH3+])Cc1cn(C2CCC(c3ccc(C#N)cc3)CC2)cn1 ZINC001257015594 1038679327 /nfs/dbraw/zinc/67/93/27/1038679327.db2.gz MAOPMRFVFBDFKP-NKELODKYSA-N 1 2 352.438 2.696 20 30 FFEDLO N#Cc1sc(-c2ccc(F)cc2)cc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251004443 1038894003 /nfs/dbraw/zinc/89/40/03/1038894003.db2.gz VBVOJFLUPUJYBZ-OAHLLOKOSA-N 1 2 361.442 2.531 20 30 FFEDLO C=CCOc1ccccc1C[NH+]1CC2(CCN2Cc2cc(C)nn2C)C1 ZINC001279060346 1039070053 /nfs/dbraw/zinc/07/00/53/1039070053.db2.gz VKWORPMYKYLFNP-UHFFFAOYSA-N 1 2 352.482 2.754 20 30 FFEDLO N#Cc1cnn(C2CCOCC2)c1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209927370 1039293238 /nfs/dbraw/zinc/29/32/38/1039293238.db2.gz UNPULOUGGDRGGZ-UHFFFAOYSA-N 1 2 367.453 2.682 20 30 FFEDLO C[NH+](C)[C@@H]1CCOc2c(NS(=O)(=O)c3ccccc3C#N)cccc21 ZINC001258282883 1039294827 /nfs/dbraw/zinc/29/48/27/1039294827.db2.gz DIBKNPKJFBAVQO-MRXNPFEDSA-N 1 2 357.435 2.744 20 30 FFEDLO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC001252129732 1039441459 /nfs/dbraw/zinc/44/14/59/1039441459.db2.gz CHMJDFKSGZHLTI-ZACQAIPSSA-N 1 2 357.491 2.525 20 30 FFEDLO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC001252129732 1039441466 /nfs/dbraw/zinc/44/14/66/1039441466.db2.gz CHMJDFKSGZHLTI-ZACQAIPSSA-N 1 2 357.491 2.525 20 30 FFEDLO COC(=O)c1cccc([C@@H]2CNCC[N@@H+]2[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001247016083 1039580427 /nfs/dbraw/zinc/58/04/27/1039580427.db2.gz MANLNLZHOVQHFN-KKSFZXQISA-N 1 2 363.461 2.922 20 30 FFEDLO COC(=O)c1cccc([C@@H]2CNCC[N@H+]2[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001247016083 1039580436 /nfs/dbraw/zinc/58/04/36/1039580436.db2.gz MANLNLZHOVQHFN-KKSFZXQISA-N 1 2 363.461 2.922 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c(C)noc2C)C1 ZINC001210916073 1039825867 /nfs/dbraw/zinc/82/58/67/1039825867.db2.gz RJXZTCMIZPGECK-MEBBXXQBSA-N 1 2 370.291 2.569 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c(C)noc2C)C1 ZINC001210916073 1039825895 /nfs/dbraw/zinc/82/58/95/1039825895.db2.gz RJXZTCMIZPGECK-MEBBXXQBSA-N 1 2 370.291 2.569 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COc2ccccc2F)C1 ZINC001211009841 1039904270 /nfs/dbraw/zinc/90/42/70/1039904270.db2.gz HMXRAVCUFDLOIW-BXUZGUMPSA-N 1 2 371.250 2.550 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COc2ccccc2F)C1 ZINC001211009841 1039904258 /nfs/dbraw/zinc/90/42/58/1039904258.db2.gz HMXRAVCUFDLOIW-BXUZGUMPSA-N 1 2 371.250 2.550 20 30 FFEDLO N#Cc1c(Cl)cccc1CN1C[C@@H]2C[N@@H+](Cc3ccc[nH]3)C[C@H](C1)O2 ZINC001278692615 1039929456 /nfs/dbraw/zinc/92/94/56/1039929456.db2.gz ROGRLKBFYSRJCM-CALCHBBNSA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1c(Cl)cccc1CN1C[C@@H]2C[N@H+](Cc3ccc[nH]3)C[C@H](C1)O2 ZINC001278692615 1039929467 /nfs/dbraw/zinc/92/94/67/1039929467.db2.gz ROGRLKBFYSRJCM-CALCHBBNSA-N 1 2 356.857 2.625 20 30 FFEDLO Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)o1 ZINC001211232651 1040019238 /nfs/dbraw/zinc/01/92/38/1040019238.db2.gz QICVGEWCATTWJL-SZVBFZGTSA-N 1 2 351.450 2.922 20 30 FFEDLO Cc1cnc([C@@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)o1 ZINC001211232651 1040019254 /nfs/dbraw/zinc/01/92/54/1040019254.db2.gz QICVGEWCATTWJL-SZVBFZGTSA-N 1 2 351.450 2.922 20 30 FFEDLO Cc1nc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)oc1C ZINC001211232233 1040019295 /nfs/dbraw/zinc/01/92/95/1040019295.db2.gz IBANLYFIJWRAQC-DNVCBOLYSA-N 1 2 351.450 2.670 20 30 FFEDLO Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)oc1C ZINC001211232233 1040019313 /nfs/dbraw/zinc/01/93/13/1040019313.db2.gz IBANLYFIJWRAQC-DNVCBOLYSA-N 1 2 351.450 2.670 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ncccn3)C[C@H]2C)CCCCC1 ZINC001211410914 1040168629 /nfs/dbraw/zinc/16/86/29/1040168629.db2.gz ONJLWRVTCDUXJX-KZNAEPCWSA-N 1 2 354.498 2.948 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ncccn3)C[C@H]2C)CCCCC1 ZINC001211410914 1040168636 /nfs/dbraw/zinc/16/86/36/1040168636.db2.gz ONJLWRVTCDUXJX-KZNAEPCWSA-N 1 2 354.498 2.948 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](C[C@H](O)CCCCC)Cc2nnn(CC3CC3)c21 ZINC001253529385 1040222436 /nfs/dbraw/zinc/22/24/36/1040222436.db2.gz RFWDJVGDDIGUAU-ZWKOTPCHSA-N 1 2 362.518 2.731 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](C[C@H](O)CCCCC)Cc2nnn(CC3CC3)c21 ZINC001253529385 1040222447 /nfs/dbraw/zinc/22/24/47/1040222447.db2.gz RFWDJVGDDIGUAU-ZWKOTPCHSA-N 1 2 362.518 2.731 20 30 FFEDLO CC(=O)NCSC[C@@H]([NH3+])c1nc(-c2ccc(C(C)(C)C)cc2C#N)no1 ZINC001248436656 1040275134 /nfs/dbraw/zinc/27/51/34/1040275134.db2.gz YHTLKBJIAGQYOB-OAHLLOKOSA-N 1 2 373.482 2.732 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001213322942 1040451069 /nfs/dbraw/zinc/45/10/69/1040451069.db2.gz WXLLRXXZDPFUOO-GDIGMMSISA-N 1 2 359.445 2.615 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001213322942 1040451078 /nfs/dbraw/zinc/45/10/78/1040451078.db2.gz WXLLRXXZDPFUOO-GDIGMMSISA-N 1 2 359.445 2.615 20 30 FFEDLO CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001213358631 1040473661 /nfs/dbraw/zinc/47/36/61/1040473661.db2.gz MJJVOWQARAYAQH-QZTJIDSGSA-N 1 2 362.901 2.943 20 30 FFEDLO CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001213358631 1040473675 /nfs/dbraw/zinc/47/36/75/1040473675.db2.gz MJJVOWQARAYAQH-QZTJIDSGSA-N 1 2 362.901 2.943 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1OC ZINC001213378385 1040492160 /nfs/dbraw/zinc/49/21/60/1040492160.db2.gz OTGKSVMGELATGL-LMMKCTJWSA-N 1 2 352.425 2.883 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1OC ZINC001213378385 1040492166 /nfs/dbraw/zinc/49/21/66/1040492166.db2.gz OTGKSVMGELATGL-LMMKCTJWSA-N 1 2 352.425 2.883 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c1C#N ZINC001254117576 1040574120 /nfs/dbraw/zinc/57/41/20/1040574120.db2.gz SLLZGHSKCKQZPJ-MRXNPFEDSA-N 1 2 363.465 2.543 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c1C#N ZINC001254117576 1040574130 /nfs/dbraw/zinc/57/41/30/1040574130.db2.gz SLLZGHSKCKQZPJ-MRXNPFEDSA-N 1 2 363.465 2.543 20 30 FFEDLO N#Cc1ccc2cc(C[N@H+]3CC4CC3(C(=O)NCc3ccco3)C4)[nH]c2c1 ZINC001249428148 1040758576 /nfs/dbraw/zinc/75/85/76/1040758576.db2.gz DHOVNWNZHYKLEU-UHFFFAOYSA-N 1 2 360.417 2.913 20 30 FFEDLO N#Cc1ccc2cc(C[N@@H+]3CC4CC3(C(=O)NCc3ccco3)C4)[nH]c2c1 ZINC001249428148 1040758592 /nfs/dbraw/zinc/75/85/92/1040758592.db2.gz DHOVNWNZHYKLEU-UHFFFAOYSA-N 1 2 360.417 2.913 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)no3)C[C@H]2OC)CCCCC1 ZINC001213903106 1041052680 /nfs/dbraw/zinc/05/26/80/1041052680.db2.gz GTUWMCBENGVOTD-QZTJIDSGSA-N 1 2 361.486 2.825 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)no3)C[C@H]2OC)CCCCC1 ZINC001213903106 1041052694 /nfs/dbraw/zinc/05/26/94/1041052694.db2.gz GTUWMCBENGVOTD-QZTJIDSGSA-N 1 2 361.486 2.825 20 30 FFEDLO CCOC(=O)[C@H]1C[C@@H]2C[N@@H+]([C@H](CC)CC#N)C[C@@H]2N1C(=O)OC(C)(C)C ZINC001255166268 1041179190 /nfs/dbraw/zinc/17/91/90/1041179190.db2.gz HWEFYHFKXDDIBZ-FPCVCCKLSA-N 1 2 365.474 2.552 20 30 FFEDLO CCOC(=O)[C@H]1C[C@@H]2C[N@H+]([C@H](CC)CC#N)C[C@@H]2N1C(=O)OC(C)(C)C ZINC001255166268 1041179195 /nfs/dbraw/zinc/17/91/95/1041179195.db2.gz HWEFYHFKXDDIBZ-FPCVCCKLSA-N 1 2 365.474 2.552 20 30 FFEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@H]2C(=O)N(Cc3cccc(F)c3)CCO[C@H]2C1 ZINC001255172225 1041180169 /nfs/dbraw/zinc/18/01/69/1041180169.db2.gz LLCWMXBGKBWMPQ-OTWHNJEPSA-N 1 2 359.445 2.567 20 30 FFEDLO CC[C@@H](CC#N)[N@H+]1CC[C@H]2C(=O)N(Cc3cccc(F)c3)CCO[C@H]2C1 ZINC001255172225 1041180175 /nfs/dbraw/zinc/18/01/75/1041180175.db2.gz LLCWMXBGKBWMPQ-OTWHNJEPSA-N 1 2 359.445 2.567 20 30 FFEDLO CCOC(=O)c1cc(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)nn1C ZINC001250548506 1041244568 /nfs/dbraw/zinc/24/45/68/1041244568.db2.gz MRAUIOIUQBGMTB-GOSISDBHSA-N 1 2 368.437 2.512 20 30 FFEDLO CCOC(=O)c1cc(C[N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)nn1C ZINC001250548506 1041244580 /nfs/dbraw/zinc/24/45/80/1041244580.db2.gz MRAUIOIUQBGMTB-GOSISDBHSA-N 1 2 368.437 2.512 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CCc3ccccc3)no2)C1 ZINC001214306285 1041370282 /nfs/dbraw/zinc/37/02/82/1041370282.db2.gz ZCNVRJDUYOMYCM-SJLPKXTDSA-N 1 2 368.481 2.758 20 30 FFEDLO C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4cc(F)cc(C#N)c4)nc3c2)CC1 ZINC001250818993 1041383808 /nfs/dbraw/zinc/38/38/08/1041383808.db2.gz ISTCCAAAYJEXOA-UHFFFAOYSA-N 1 2 363.396 2.628 20 30 FFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccccc2CC#N)[C@@H]1c1ccc(F)cc1 ZINC001261854780 1041449446 /nfs/dbraw/zinc/44/94/46/1041449446.db2.gz VXUBMBHAKWLLCL-HKUYNNGSSA-N 1 2 373.453 2.615 20 30 FFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccccc2CC#N)[C@@H]1c1ccc(F)cc1 ZINC001261854780 1041449448 /nfs/dbraw/zinc/44/94/48/1041449448.db2.gz VXUBMBHAKWLLCL-HKUYNNGSSA-N 1 2 373.453 2.615 20 30 FFEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC001214672009 1041526481 /nfs/dbraw/zinc/52/64/81/1041526481.db2.gz DKTSJLBZWJPFMO-DFBGVHRSSA-N 1 2 360.326 2.514 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC001214672009 1041526487 /nfs/dbraw/zinc/52/64/87/1041526487.db2.gz DKTSJLBZWJPFMO-DFBGVHRSSA-N 1 2 360.326 2.514 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CC(C)C)no2)C1 ZINC001214708301 1041543709 /nfs/dbraw/zinc/54/37/09/1041543709.db2.gz ZOINNTFNTPCKHY-NVXWUHKLSA-N 1 2 360.502 2.973 20 30 FFEDLO COc1cccc([C@H]2CN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC[NH2+]2)c1 ZINC001262636227 1041766236 /nfs/dbraw/zinc/76/62/36/1041766236.db2.gz NIMKSHMWMWFVOL-HXUWFJFHSA-N 1 2 361.445 2.772 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC001262873367 1041918725 /nfs/dbraw/zinc/91/87/25/1041918725.db2.gz FLXQCKGLPIOBFL-IIMDRIAPSA-N 1 2 366.513 2.557 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1CSC ZINC001262941756 1041978012 /nfs/dbraw/zinc/97/80/12/1041978012.db2.gz SYSRKWKZCFSWCC-CVEARBPZSA-N 1 2 365.547 2.578 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1CSC ZINC001262941756 1041978017 /nfs/dbraw/zinc/97/80/17/1041978017.db2.gz SYSRKWKZCFSWCC-CVEARBPZSA-N 1 2 365.547 2.578 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC2(CCCC2)OC[C@H]1C ZINC001262952196 1041985427 /nfs/dbraw/zinc/98/54/27/1041985427.db2.gz LYHFLWLCKNJMDE-QGZVFWFLSA-N 1 2 359.518 2.988 20 30 FFEDLO C=CCn1c(N(Cc2ccccc2)C2CC2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001262987745 1042012101 /nfs/dbraw/zinc/01/21/01/1042012101.db2.gz FWLJVBNEFOIVGR-NQIIRXRSSA-N 1 2 367.497 2.545 20 30 FFEDLO C=CCn1c(N(Cc2ccccc2)C2CC2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001262987745 1042012110 /nfs/dbraw/zinc/01/21/10/1042012110.db2.gz FWLJVBNEFOIVGR-NQIIRXRSSA-N 1 2 367.497 2.545 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cn2cccc(Cl)c2n1 ZINC001276748009 1042130246 /nfs/dbraw/zinc/13/02/46/1042130246.db2.gz GKXVOLKWZXCYGX-IAGOWNOFSA-N 1 2 371.872 2.857 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cn2cccc(Cl)c2n1 ZINC001276748009 1042130251 /nfs/dbraw/zinc/13/02/51/1042130251.db2.gz GKXVOLKWZXCYGX-IAGOWNOFSA-N 1 2 371.872 2.857 20 30 FFEDLO C=C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1)c1ccccc1 ZINC001216811819 1042131258 /nfs/dbraw/zinc/13/12/58/1042131258.db2.gz SAIIGVUJKFWYFD-IIDMSEBBSA-N 1 2 356.495 2.835 20 30 FFEDLO C#CCC1(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)c3noc(C)n3)C2)CCCCC1 ZINC001216913626 1042161766 /nfs/dbraw/zinc/16/17/66/1042161766.db2.gz XFCZSAMQCCAFMH-HLLBOEOZSA-N 1 2 358.486 2.849 20 30 FFEDLO C=C(C)Cn1c(N(C)C[C@@H]2CC=CCC2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001263285913 1042221369 /nfs/dbraw/zinc/22/13/69/1042221369.db2.gz QYOHHVKYWOPKAL-HLIPFELVSA-N 1 2 359.518 2.558 20 30 FFEDLO C=C(C)Cn1c(N(C)C[C@@H]2CC=CCC2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001263285913 1042221373 /nfs/dbraw/zinc/22/13/73/1042221373.db2.gz QYOHHVKYWOPKAL-HLIPFELVSA-N 1 2 359.518 2.558 20 30 FFEDLO C=C(C)Cn1c(N2CC[NH+](Cc3cc(C)no3)CC2)nnc1C(C)(C)F ZINC001263317731 1042237719 /nfs/dbraw/zinc/23/77/19/1042237719.db2.gz LMMMFRCHBKWNLI-UHFFFAOYSA-N 1 2 362.453 2.677 20 30 FFEDLO C=C(C)Cn1c([C@@H](C)SC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001263327637 1042242967 /nfs/dbraw/zinc/24/29/67/1042242967.db2.gz RIRUZJDWRIDPBO-CQSZACIVSA-N 1 2 373.530 2.703 20 30 FFEDLO C=CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cn(C)nn2)[C@@H]1CC)c1ccccc1 ZINC001264626173 1042757748 /nfs/dbraw/zinc/75/77/48/1042757748.db2.gz VFYSECXIUYCVPI-SLFFLAALSA-N 1 2 367.497 2.644 20 30 FFEDLO C=CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cn(C)nn2)[C@@H]1CC)c1ccccc1 ZINC001264626173 1042757754 /nfs/dbraw/zinc/75/77/54/1042757754.db2.gz VFYSECXIUYCVPI-SLFFLAALSA-N 1 2 367.497 2.644 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C/C=C(/C)C=C)[C@H]2C)c1 ZINC001264714883 1042797277 /nfs/dbraw/zinc/79/72/77/1042797277.db2.gz DIIMSMKYMROMLP-YGCCTNMVSA-N 1 2 365.477 2.708 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C/C=C(/C)C=C)[C@H]2C)c1 ZINC001264714883 1042797279 /nfs/dbraw/zinc/79/72/79/1042797279.db2.gz DIIMSMKYMROMLP-YGCCTNMVSA-N 1 2 365.477 2.708 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC[N@@H+](CC)Cc1ncc(Cl)s1 ZINC001265133894 1042843579 /nfs/dbraw/zinc/84/35/79/1042843579.db2.gz BBBWEWZERBWGCB-OLZOCXBDSA-N 1 2 357.907 2.716 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC[N@H+](CC)Cc1ncc(Cl)s1 ZINC001265133894 1042843584 /nfs/dbraw/zinc/84/35/84/1042843584.db2.gz BBBWEWZERBWGCB-OLZOCXBDSA-N 1 2 357.907 2.716 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)C1CC[NH+](Cc2coc(C)n2)CC1 ZINC001265341576 1042853466 /nfs/dbraw/zinc/85/34/66/1042853466.db2.gz UQIZFNGJZFFGKH-MOPGFXCFSA-N 1 2 361.486 2.777 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]c4cc(=O)ccc-4c3)CC2)cc1 ZINC001538547751 1070450593 /nfs/dbraw/zinc/45/05/93/1070450593.db2.gz SKDOVZOBKSZBCB-UHFFFAOYSA-N 1 2 372.428 2.770 20 30 FFEDLO C#CC[NH+]1CCN(Cc2cc(OC(F)F)ccc2Br)CC1 ZINC001237235179 1043068880 /nfs/dbraw/zinc/06/88/80/1043068880.db2.gz JQKQDMVAJDRDAT-UHFFFAOYSA-N 1 2 359.214 2.801 20 30 FFEDLO C#CCOc1ccc(CN2CC3(C2)C[NH+](Cc2scnc2C)C3)cc1 ZINC001279596391 1043314738 /nfs/dbraw/zinc/31/47/38/1043314738.db2.gz VQPDHLLWROXWOU-UHFFFAOYSA-N 1 2 353.491 2.781 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)c(Cl)c1 ZINC001238082015 1043522956 /nfs/dbraw/zinc/52/29/56/1043522956.db2.gz GFZQMHSZSUUQDY-RBUKOAKNSA-N 1 2 366.852 2.982 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)c(Cl)c1 ZINC001238082015 1043522964 /nfs/dbraw/zinc/52/29/64/1043522964.db2.gz GFZQMHSZSUUQDY-RBUKOAKNSA-N 1 2 366.852 2.982 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cc1F ZINC001309797923 1043531243 /nfs/dbraw/zinc/53/12/43/1043531243.db2.gz RRFQKMBJMGSPOP-GOSISDBHSA-N 1 2 370.409 2.614 20 30 FFEDLO CCc1ccc([C@@H]2CN(S(=O)(=O)c3cc(F)cc(C#N)c3)CC[NH2+]2)cc1 ZINC001309970257 1043617233 /nfs/dbraw/zinc/61/72/33/1043617233.db2.gz HAUDTYPWHFUPFP-IBGZPJMESA-N 1 2 373.453 2.595 20 30 FFEDLO C=CCCNC(=S)N1CC[NH2+][C@@H](c2cccc(Br)c2)C1 ZINC001239438990 1044123855 /nfs/dbraw/zinc/12/38/55/1044123855.db2.gz YSVNNKSUPSSWAS-CQSZACIVSA-N 1 2 354.317 2.846 20 30 FFEDLO COc1nc(C)c(-c2ccc(OCC[NH+]3CCOCC3)cc2)c(C)c1C#N ZINC001240449766 1044347169 /nfs/dbraw/zinc/34/71/69/1044347169.db2.gz GUSAYTWUGYZBCK-UHFFFAOYSA-N 1 2 367.449 2.957 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)c(OC)c(F)c2)[C@@H]1C ZINC001316801207 1044610376 /nfs/dbraw/zinc/61/03/76/1044610376.db2.gz PSXFWHNBHCHBIW-DYVFJYSZSA-N 1 2 368.424 2.645 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1CC[N@H+](Cc2cc(F)c(OC)c(F)c2)[C@@H]1C ZINC001316801207 1044610381 /nfs/dbraw/zinc/61/03/81/1044610381.db2.gz PSXFWHNBHCHBIW-DYVFJYSZSA-N 1 2 368.424 2.645 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001280741705 1044728072 /nfs/dbraw/zinc/72/80/72/1044728072.db2.gz CLAQDNXBGKBEFF-HZPDHXFCSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001280741705 1044728089 /nfs/dbraw/zinc/72/80/89/1044728089.db2.gz CLAQDNXBGKBEFF-HZPDHXFCSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CCNC(=O)c1ccc(-c2cc(F)ccc2C[NH+]2CCOCC2)nc1 ZINC001243083183 1044858103 /nfs/dbraw/zinc/85/81/03/1044858103.db2.gz XZSOYNLLQKUENR-UHFFFAOYSA-N 1 2 355.413 2.636 20 30 FFEDLO N#Cc1c[nH]c2cc(-c3ccc(OCC[NH+]4CCOCC4)cc3F)cnc12 ZINC001244136347 1045088540 /nfs/dbraw/zinc/08/85/40/1045088540.db2.gz ZQQSCTSSXQQYAZ-UHFFFAOYSA-N 1 2 366.396 2.952 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]2C)CCC1 ZINC001281802181 1045157945 /nfs/dbraw/zinc/15/79/45/1045157945.db2.gz XPSWPUGFRAVSFP-IXDOHACOSA-N 1 2 358.486 2.544 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2C[C@@H](C)c2ccccc2)CC1 ZINC001539429528 1070635895 /nfs/dbraw/zinc/63/58/95/1070635895.db2.gz AGXRIBXJMODVJX-GOSISDBHSA-N 1 2 351.498 2.960 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2CC2(c3ccccc3)CCC2)CC1 ZINC001539452178 1070640368 /nfs/dbraw/zinc/64/03/68/1070640368.db2.gz NIMVRTLDYPDNJH-UHFFFAOYSA-N 1 2 363.509 2.718 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2C[C@H](c2ccccc2)C2CC2)CC1 ZINC001539452448 1070640913 /nfs/dbraw/zinc/64/09/13/1070640913.db2.gz SWAFKFSAEUVIMS-HXUWFJFHSA-N 1 2 363.509 2.790 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C)n2C2CC2)CC1 ZINC001539459600 1070643345 /nfs/dbraw/zinc/64/33/45/1070643345.db2.gz LJUQSMDMSORJMU-UHFFFAOYSA-N 1 2 365.481 2.564 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)C1 ZINC001320890520 1045488870 /nfs/dbraw/zinc/48/88/70/1045488870.db2.gz WJNHMWLXMUVHNH-LFDOHDQPSA-N 1 2 363.502 2.748 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)C1 ZINC001320890520 1045488873 /nfs/dbraw/zinc/48/88/73/1045488873.db2.gz WJNHMWLXMUVHNH-LFDOHDQPSA-N 1 2 363.502 2.748 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001285109217 1046721343 /nfs/dbraw/zinc/72/13/43/1046721343.db2.gz IRPKQLBMKQEJGF-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001285109217 1046721357 /nfs/dbraw/zinc/72/13/57/1046721357.db2.gz IRPKQLBMKQEJGF-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO C#CCCCCn1c(-c2ccccc2F)nnc1N1CC[NH+](CC#C)CC1 ZINC001286319598 1047074802 /nfs/dbraw/zinc/07/48/02/1047074802.db2.gz NVEMLZULKPLRBZ-UHFFFAOYSA-N 1 2 365.456 2.643 20 30 FFEDLO N#CCOc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)c1 ZINC001326813894 1047100028 /nfs/dbraw/zinc/10/00/28/1047100028.db2.gz WOVFBAFDBBUSLA-IBGZPJMESA-N 1 2 350.422 2.977 20 30 FFEDLO N#CCOc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)c1 ZINC001326813894 1047100032 /nfs/dbraw/zinc/10/00/32/1047100032.db2.gz WOVFBAFDBBUSLA-IBGZPJMESA-N 1 2 350.422 2.977 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2CC2(SC)CCC2)CC1 ZINC001286478655 1047120743 /nfs/dbraw/zinc/12/07/43/1047120743.db2.gz ILIXWDAKAHDOCH-UHFFFAOYSA-N 1 2 361.559 2.518 20 30 FFEDLO C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001286522128 1047127761 /nfs/dbraw/zinc/12/77/61/1047127761.db2.gz HNYPLKUGBASPGN-OAQYLSRUSA-N 1 2 366.513 2.978 20 30 FFEDLO C=CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001286719632 1047160081 /nfs/dbraw/zinc/16/00/81/1047160081.db2.gz PZOOHALSEKKZIG-UHFFFAOYSA-N 1 2 373.464 2.948 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1N(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC2 ZINC001287973864 1047383770 /nfs/dbraw/zinc/38/37/70/1047383770.db2.gz KOSYKXCBFIJYRM-PZPFTHLGSA-N 1 2 370.497 2.520 20 30 FFEDLO CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291532099 1048697398 /nfs/dbraw/zinc/69/73/98/1048697398.db2.gz MJXWGEAWORGWAR-ABSDTBQOSA-N 1 2 374.533 2.642 20 30 FFEDLO CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291532099 1048697404 /nfs/dbraw/zinc/69/74/04/1048697404.db2.gz MJXWGEAWORGWAR-ABSDTBQOSA-N 1 2 374.533 2.642 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)Nc2ccc(OCC#N)cc2)cc1 ZINC001329760654 1048897506 /nfs/dbraw/zinc/89/75/06/1048897506.db2.gz WKBHXXPLCDSFNS-IBGZPJMESA-N 1 2 351.406 2.811 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)Nc2ccc(OCC#N)cc2)cc1 ZINC001329760654 1048897520 /nfs/dbraw/zinc/89/75/20/1048897520.db2.gz WKBHXXPLCDSFNS-IBGZPJMESA-N 1 2 351.406 2.811 20 30 FFEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001333577170 1048986665 /nfs/dbraw/zinc/98/66/65/1048986665.db2.gz QSQXLKNFRXEPRI-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001333577170 1048986673 /nfs/dbraw/zinc/98/66/73/1048986673.db2.gz QSQXLKNFRXEPRI-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO C=C[C@@H](C)NC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001294989016 1049859081 /nfs/dbraw/zinc/85/90/81/1049859081.db2.gz IOCLBJIEPSNVGB-MRXNPFEDSA-N 1 2 361.486 2.704 20 30 FFEDLO C=C[C@@H](C)NC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001294989016 1049859100 /nfs/dbraw/zinc/85/91/00/1049859100.db2.gz IOCLBJIEPSNVGB-MRXNPFEDSA-N 1 2 361.486 2.704 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001295786633 1049984765 /nfs/dbraw/zinc/98/47/65/1049984765.db2.gz FRXODJMYAXZJSZ-RCCFBDPRSA-N 1 2 370.497 2.731 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001295786633 1049984768 /nfs/dbraw/zinc/98/47/68/1049984768.db2.gz FRXODJMYAXZJSZ-RCCFBDPRSA-N 1 2 370.497 2.731 20 30 FFEDLO C#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC001339706837 1050143491 /nfs/dbraw/zinc/14/34/91/1050143491.db2.gz NVALFGBQTWLDQW-DYVFJYSZSA-N 1 2 370.840 2.566 20 30 FFEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@H](O)CC[C@H](O)c2ccccc2)C1 ZINC001341614368 1050241898 /nfs/dbraw/zinc/24/18/98/1050241898.db2.gz GILUEZKVVHEARG-RZUBCFFCSA-N 1 2 365.477 2.813 20 30 FFEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@H](O)CC[C@H](O)c2ccccc2)C1 ZINC001341614368 1050241911 /nfs/dbraw/zinc/24/19/11/1050241911.db2.gz GILUEZKVVHEARG-RZUBCFFCSA-N 1 2 365.477 2.813 20 30 FFEDLO N#C[C@@H](C(=O)Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccccc1Cl ZINC001341840404 1050451082 /nfs/dbraw/zinc/45/10/82/1050451082.db2.gz HILVCOOXIHAQMY-ZDUSSCGKSA-N 1 2 356.813 2.763 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)Cc1ncc(Cl)n1C ZINC001341903906 1050504155 /nfs/dbraw/zinc/50/41/55/1050504155.db2.gz ONRCQIWJWHESQH-ZDUSSCGKSA-N 1 2 363.897 2.644 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)Cc1ncc(Cl)n1C ZINC001341903906 1050504166 /nfs/dbraw/zinc/50/41/66/1050504166.db2.gz ONRCQIWJWHESQH-ZDUSSCGKSA-N 1 2 363.897 2.644 20 30 FFEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@H](OC)C1 ZINC001341930338 1050526540 /nfs/dbraw/zinc/52/65/40/1050526540.db2.gz BPSZNGGYFGIAKS-DLBZAZTESA-N 1 2 358.490 2.911 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCc2cc(Cl)nnc2C1 ZINC001342004936 1050602682 /nfs/dbraw/zinc/60/26/82/1050602682.db2.gz RZSWNRQHBMDRTF-HNNXBMFYSA-N 1 2 373.892 2.627 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCc2cc(Cl)nnc2C1 ZINC001342004936 1050602686 /nfs/dbraw/zinc/60/26/86/1050602686.db2.gz RZSWNRQHBMDRTF-HNNXBMFYSA-N 1 2 373.892 2.627 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@H](C)CCSC ZINC001342018121 1050615377 /nfs/dbraw/zinc/61/53/77/1050615377.db2.gz ALJJZDLVDKFTNN-HZPDHXFCSA-N 1 2 367.563 2.824 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@H](C)CCSC ZINC001342018121 1050615380 /nfs/dbraw/zinc/61/53/80/1050615380.db2.gz ALJJZDLVDKFTNN-HZPDHXFCSA-N 1 2 367.563 2.824 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@H](C2CCC2)C1 ZINC001340206321 1050615648 /nfs/dbraw/zinc/61/56/48/1050615648.db2.gz YWVCTPHJHPJDIM-ROUUACIJSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@H](C2CCC2)C1 ZINC001340206321 1050615654 /nfs/dbraw/zinc/61/56/54/1050615654.db2.gz YWVCTPHJHPJDIM-ROUUACIJSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)Cc1cc2ccccc2o1 ZINC001340258800 1050664662 /nfs/dbraw/zinc/66/46/62/1050664662.db2.gz NSZGBGUJRQNLMV-RDJZCZTQSA-N 1 2 367.453 2.584 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)Cc1cc2ccccc2o1 ZINC001340258800 1050664672 /nfs/dbraw/zinc/66/46/72/1050664672.db2.gz NSZGBGUJRQNLMV-RDJZCZTQSA-N 1 2 367.453 2.584 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@H](C/C=C/C)C1 ZINC001342149578 1050743280 /nfs/dbraw/zinc/74/32/80/1050743280.db2.gz HYWFXXMKCPNYHL-YZTRRJNXSA-N 1 2 373.545 2.851 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@H](C#N)C1 ZINC001342343810 1050938805 /nfs/dbraw/zinc/93/88/05/1050938805.db2.gz LKGLLAPCEKLAIW-SQNIBIBYSA-N 1 2 370.501 2.520 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@H](C#N)C1 ZINC001342343810 1050938814 /nfs/dbraw/zinc/93/88/14/1050938814.db2.gz LKGLLAPCEKLAIW-SQNIBIBYSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(CC)Cc1ccccc1F ZINC001340593896 1050978936 /nfs/dbraw/zinc/97/89/36/1050978936.db2.gz LQGLDYUFYVHZGK-UHFFFAOYSA-N 1 2 354.433 2.954 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@H](c2nc(C)cs2)C1 ZINC001340594607 1050979949 /nfs/dbraw/zinc/97/99/49/1050979949.db2.gz RDRUAQHXGNBGKG-AWEZNQCLSA-N 1 2 369.498 2.547 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)CC1(c2ccccc2)CC1 ZINC001340733207 1051091235 /nfs/dbraw/zinc/09/12/35/1051091235.db2.gz OGRBIQXQCAQFNT-UHFFFAOYSA-N 1 2 362.481 2.956 20 30 FFEDLO C=C(C)Cn1c(N2CCCC3(CC3)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001342521439 1051124871 /nfs/dbraw/zinc/12/48/71/1051124871.db2.gz GDWBYBQQRCEING-APWZRJJASA-N 1 2 359.518 2.536 20 30 FFEDLO C=C(C)Cn1c(N2CCCC3(CC3)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001342521439 1051124874 /nfs/dbraw/zinc/12/48/74/1051124874.db2.gz GDWBYBQQRCEING-APWZRJJASA-N 1 2 359.518 2.536 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC(=C)C ZINC001343000144 1051616180 /nfs/dbraw/zinc/61/61/80/1051616180.db2.gz QXQFPQDXGIWMIQ-GUDVDZBRSA-N 1 2 369.513 2.772 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC(=C)C ZINC001343000144 1051616185 /nfs/dbraw/zinc/61/61/85/1051616185.db2.gz QXQFPQDXGIWMIQ-GUDVDZBRSA-N 1 2 369.513 2.772 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1csc(CC)n1 ZINC001343315110 1052156349 /nfs/dbraw/zinc/15/63/49/1052156349.db2.gz NKTZNQMFTVLZQE-UHFFFAOYSA-N 1 2 371.514 2.834 20 30 FFEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001345108762 1052262990 /nfs/dbraw/zinc/26/29/90/1052262990.db2.gz AHJXQHJAMXRPTP-CALCHBBNSA-N 1 2 374.533 2.641 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@@H]3CC[C@@H](C(F)(F)F)O3)CC2)c(F)c1 ZINC001307449822 1052308100 /nfs/dbraw/zinc/30/81/00/1052308100.db2.gz NMXQIQNNCYFVRD-BBRMVZONSA-N 1 2 357.351 2.929 20 30 FFEDLO COC(=O)c1csc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)c1 ZINC001308007650 1052382708 /nfs/dbraw/zinc/38/27/08/1052382708.db2.gz ICXASFHGBACMHF-UHFFFAOYSA-N 1 2 359.426 2.868 20 30 FFEDLO C[C@H](C#N)CN(C)c1nnc(C[NH+]2CCCCC2)n1Cc1ccccc1 ZINC001343715267 1052385500 /nfs/dbraw/zinc/38/55/00/1052385500.db2.gz VFOQPMRWBPTWQO-QGZVFWFLSA-N 1 2 352.486 2.908 20 30 FFEDLO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@H](C)c1cccc(C#N)c1)[nH]c2=O ZINC001308065826 1052397899 /nfs/dbraw/zinc/39/78/99/1052397899.db2.gz IWNBRXSYMGCGRT-GFCCVEGCSA-N 1 2 362.389 2.844 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(F)(F)C1 ZINC001343946841 1052504968 /nfs/dbraw/zinc/50/49/68/1052504968.db2.gz DOXVYFGUWLPSRE-HUUCEWRRSA-N 1 2 367.444 2.625 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(F)(F)C1 ZINC001343946841 1052504969 /nfs/dbraw/zinc/50/49/69/1052504969.db2.gz DOXVYFGUWLPSRE-HUUCEWRRSA-N 1 2 367.444 2.625 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](Cn1c(CC3CC3)nnc1N(C)C[C@H](C)C#N)CCC2 ZINC001542831744 1071315998 /nfs/dbraw/zinc/31/59/98/1071315998.db2.gz BHIZBNLNGFGUGY-PBHICJAKSA-N 1 2 367.501 2.909 20 30 FFEDLO C[N@@H+]1CCC[C@H]1c1nnc(N2CCC[C@@H](C#N)C2)n1Cc1ccccc1 ZINC001344069989 1052578510 /nfs/dbraw/zinc/57/85/10/1052578510.db2.gz XKXWFGFVXGNYNC-ROUUACIJSA-N 1 2 350.470 2.833 20 30 FFEDLO C[N@H+]1CCC[C@H]1c1nnc(N2CCC[C@@H](C#N)C2)n1Cc1ccccc1 ZINC001344069989 1052578513 /nfs/dbraw/zinc/57/85/13/1052578513.db2.gz XKXWFGFVXGNYNC-ROUUACIJSA-N 1 2 350.470 2.833 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001344278879 1052678734 /nfs/dbraw/zinc/67/87/34/1052678734.db2.gz MAYZHBIJEIUJNK-HRCADAONSA-N 1 2 360.502 2.592 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001344278879 1052678737 /nfs/dbraw/zinc/67/87/37/1052678737.db2.gz MAYZHBIJEIUJNK-HRCADAONSA-N 1 2 360.502 2.592 20 30 FFEDLO C#CC1CCN(c2nnc(C[NH+]3CCCCC3)n2C[C@@H]2CCCCO2)CC1 ZINC001344748259 1052914474 /nfs/dbraw/zinc/91/44/74/1052914474.db2.gz BGDATRZLEUCAJN-IBGZPJMESA-N 1 2 371.529 2.683 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CC2CC2)C1 ZINC001346879526 1053406248 /nfs/dbraw/zinc/40/62/48/1053406248.db2.gz ZQVXESAILBLJOE-SFHVURJKSA-N 1 2 372.517 2.600 20 30 FFEDLO CC(C)[N@H+]1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CC2CC2)C1 ZINC001346879526 1053406254 /nfs/dbraw/zinc/40/62/54/1053406254.db2.gz ZQVXESAILBLJOE-SFHVURJKSA-N 1 2 372.517 2.600 20 30 FFEDLO N#Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)nc1Cl ZINC001351697711 1054958370 /nfs/dbraw/zinc/95/83/70/1054958370.db2.gz XLEIDAWZTBHRDL-UHFFFAOYSA-N 1 2 356.813 2.691 20 30 FFEDLO C=CCn1c([C@@H](O)/C=C\CC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001351981920 1055099867 /nfs/dbraw/zinc/09/98/67/1055099867.db2.gz VKWZVQGDLZPOEZ-AFCDSYGPSA-N 1 2 368.485 2.940 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1C[C@@H]2COC[C@@]2(C)C1 ZINC001351982103 1055099964 /nfs/dbraw/zinc/09/99/64/1055099964.db2.gz XULNGNTXLJFAER-MBOZVWFJSA-N 1 2 370.501 2.769 20 30 FFEDLO CS[C@H]1CCCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2C)C1 ZINC001338139782 1055264831 /nfs/dbraw/zinc/26/48/31/1055264831.db2.gz ZBWPLGLMPOLYLU-INIZCTEOSA-N 1 2 362.547 2.630 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001352495179 1055525393 /nfs/dbraw/zinc/52/53/93/1055525393.db2.gz PRAQYARRXWHORG-INIZCTEOSA-N 1 2 355.490 2.521 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1C ZINC001338490395 1055562802 /nfs/dbraw/zinc/56/28/02/1055562802.db2.gz RUPSAGHVQUBURC-SFHVURJKSA-N 1 2 355.486 2.789 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1C ZINC001338490395 1055562810 /nfs/dbraw/zinc/56/28/10/1055562810.db2.gz RUPSAGHVQUBURC-SFHVURJKSA-N 1 2 355.486 2.789 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@H](CCC)C1 ZINC001338835430 1055858136 /nfs/dbraw/zinc/85/81/36/1055858136.db2.gz ZAPOICNSUYLBPP-KRWDZBQOSA-N 1 2 361.534 2.685 20 30 FFEDLO C=C(C)CN(Cc1ccccc1)c1nnc([C@H]2C[C@@H](O)C[N@@H+]2C)n1CC ZINC001352902401 1055911781 /nfs/dbraw/zinc/91/17/81/1055911781.db2.gz QQECLQXQUCWVRY-QZTJIDSGSA-N 1 2 355.486 2.618 20 30 FFEDLO C=C(C)CN(Cc1ccccc1)c1nnc([C@H]2C[C@@H](O)C[N@H+]2C)n1CC ZINC001352902401 1055911789 /nfs/dbraw/zinc/91/17/89/1055911789.db2.gz QQECLQXQUCWVRY-QZTJIDSGSA-N 1 2 355.486 2.618 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001338895587 1055912369 /nfs/dbraw/zinc/91/23/69/1055912369.db2.gz KLWKFSPZNXZQEW-SJLPKXTDSA-N 1 2 369.517 2.738 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001338895587 1055912376 /nfs/dbraw/zinc/91/23/76/1055912376.db2.gz KLWKFSPZNXZQEW-SJLPKXTDSA-N 1 2 369.517 2.738 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2sc(Cc3ccc(F)cc3)nc2C)CC1 ZINC001544079097 1071592486 /nfs/dbraw/zinc/59/24/86/1071592486.db2.gz OSNDCFMUYUHHLH-UHFFFAOYSA-N 1 2 371.481 2.963 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2sc(Cc3ccc(F)cc3)nc2C)CC1 ZINC001544079097 1071592494 /nfs/dbraw/zinc/59/24/94/1071592494.db2.gz OSNDCFMUYUHHLH-UHFFFAOYSA-N 1 2 371.481 2.963 20 30 FFEDLO C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2[nH+]ccn2C)n1CC=C ZINC001339212238 1056210789 /nfs/dbraw/zinc/21/07/89/1056210789.db2.gz SUDKXRHAMDQJHF-UHFFFAOYSA-N 1 2 364.428 2.567 20 30 FFEDLO C=CCNC(=S)NCc1c[nH+]cn1Cc1cccc(Br)c1 ZINC001200304216 1056294750 /nfs/dbraw/zinc/29/47/50/1056294750.db2.gz TVKLRJKLEQBZHG-UHFFFAOYSA-N 1 2 365.300 2.844 20 30 FFEDLO C=CC1(CC(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001358620962 1056381674 /nfs/dbraw/zinc/38/16/74/1056381674.db2.gz IAVUMAUPPRWGHA-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CC1(CC(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001358620962 1056381692 /nfs/dbraw/zinc/38/16/92/1056381692.db2.gz IAVUMAUPPRWGHA-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CCCSC ZINC001339503239 1056523437 /nfs/dbraw/zinc/52/34/37/1056523437.db2.gz YZCBOUQDDLBQNH-UHFFFAOYSA-N 1 2 350.536 2.580 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(COCC)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001358899114 1056590450 /nfs/dbraw/zinc/59/04/50/1056590450.db2.gz HNOTZVHJYDIAEG-INIZCTEOSA-N 1 2 364.453 2.507 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000623986514 1056601747 /nfs/dbraw/zinc/60/17/47/1056601747.db2.gz YOMGJQYEZFSKAM-DOTOQJQBSA-N 1 2 361.490 2.601 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCC[C@H]2C)CC1 ZINC001359033855 1056667019 /nfs/dbraw/zinc/66/70/19/1056667019.db2.gz TYSIKWRGZXJIDY-MJGOQNOKSA-N 1 2 364.497 2.532 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CCc2cccc(C)c2)CC1 ZINC001359034818 1056667232 /nfs/dbraw/zinc/66/72/32/1056667232.db2.gz DFXIJPGTCDQFLI-UHFFFAOYSA-N 1 2 363.509 2.852 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2C[C@H]2CC[C@](C)(CC)O2)CC1 ZINC001359036522 1056668353 /nfs/dbraw/zinc/66/83/53/1056668353.db2.gz YMGDCLBEXYMDRZ-NQIIRXRSSA-N 1 2 373.545 2.580 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2CCc2cccc(F)c2)CC1 ZINC001359035872 1056669031 /nfs/dbraw/zinc/66/90/31/1056669031.db2.gz HFESPDPLVQBYLD-UHFFFAOYSA-N 1 2 369.488 2.614 20 30 FFEDLO C=CCCCn1c(CC2CC2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001359218489 1056824171 /nfs/dbraw/zinc/82/41/71/1056824171.db2.gz LANQJEGZKXTXBS-UHFFFAOYSA-N 1 2 370.501 2.815 20 30 FFEDLO C#CCCC[C@H](C)OC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000847867318 1058289049 /nfs/dbraw/zinc/28/90/49/1058289049.db2.gz YMEZGSFMBKCNFO-FRQCXROJSA-N 1 2 359.470 2.845 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001499504403 1058333934 /nfs/dbraw/zinc/33/39/34/1058333934.db2.gz TYJIKAUQAOAKSK-HUUCEWRRSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001499504403 1058333951 /nfs/dbraw/zinc/33/39/51/1058333951.db2.gz TYJIKAUQAOAKSK-HUUCEWRRSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC([C@H]2CCOC2)CC1 ZINC001515030751 1059241767 /nfs/dbraw/zinc/24/17/67/1059241767.db2.gz BQUDAHXBWLNXJL-SFHVURJKSA-N 1 2 359.518 2.703 20 30 FFEDLO C=CCN(c1nnc(C[NH+]2CCCCC2)n1C[C@@H]1CCCCO1)C1CC1 ZINC001519959639 1059245148 /nfs/dbraw/zinc/24/51/48/1059245148.db2.gz ISQRGFLQIAAJPD-SFHVURJKSA-N 1 2 359.518 2.988 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CCCOCCCC)CC1 ZINC001300682585 1059317544 /nfs/dbraw/zinc/31/75/44/1059317544.db2.gz OYUPDHAESONPNM-UHFFFAOYSA-N 1 2 361.534 2.538 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2C[C@@H](C)Cc2cccs2)CC1 ZINC001300697652 1059387093 /nfs/dbraw/zinc/38/70/93/1059387093.db2.gz GFIUWOSWOKPDKH-INIZCTEOSA-N 1 2 369.538 2.851 20 30 FFEDLO C#CCN(CC#CC)c1nnc(C)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001507660880 1059676513 /nfs/dbraw/zinc/67/65/13/1059676513.db2.gz GHBINXOYWZHKES-GOSISDBHSA-N 1 2 371.435 2.631 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)[C@H](C)c1ccco1 ZINC001515547680 1059694522 /nfs/dbraw/zinc/69/45/22/1059694522.db2.gz AJIFKCGIFNSDMK-MRXNPFEDSA-N 1 2 373.501 2.849 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCC(C)(C)C2CC2)CC1 ZINC001507724787 1059703630 /nfs/dbraw/zinc/70/36/30/1059703630.db2.gz JPPPEIHZVUKNLW-UHFFFAOYSA-N 1 2 366.513 2.855 20 30 FFEDLO C=C1CCN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCOCC3)CC2)CC1 ZINC001507876574 1059743834 /nfs/dbraw/zinc/74/38/34/1059743834.db2.gz MNFQLHKMNYUBTF-UHFFFAOYSA-N 1 2 359.518 2.597 20 30 FFEDLO C=CCn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1[C@]1(C)CCC=CO1 ZINC001520515677 1059754938 /nfs/dbraw/zinc/75/49/38/1059754938.db2.gz DNVZJHXHHQKCLK-FQEVSTJZSA-N 1 2 366.469 2.725 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1C[C@@H](C)OC2(CCC2)C1 ZINC001516015624 1059929529 /nfs/dbraw/zinc/92/95/29/1059929529.db2.gz FGXNCMJVGZMHQS-QGZVFWFLSA-N 1 2 359.518 2.988 20 30 FFEDLO O=C(OCc1ccccc1)N1CCC(C=NNCCCn2cc[nH+]c2)CC1 ZINC000848417339 1059972341 /nfs/dbraw/zinc/97/23/41/1059972341.db2.gz VOPOZRRDXHMQJF-UHFFFAOYSA-N 1 2 369.469 2.897 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1Cc2ccccc2C1 ZINC001520844890 1060136282 /nfs/dbraw/zinc/13/62/82/1060136282.db2.gz MAMRQFQSZINHIW-UHFFFAOYSA-N 1 2 350.470 2.911 20 30 FFEDLO N#Cc1ccnc(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)c1 ZINC001457263290 1060328896 /nfs/dbraw/zinc/32/88/96/1060328896.db2.gz AIUDEIURWGTQTG-UHFFFAOYSA-N 1 2 365.824 2.824 20 30 FFEDLO Cn1c([C@H]2CCC[N@@H+]2Cc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 ZINC001355564401 1060365810 /nfs/dbraw/zinc/36/58/10/1060365810.db2.gz DLLYRLBEGFNZAX-APWZRJJASA-N 1 2 354.433 2.594 20 30 FFEDLO Cn1c([C@H]2CCC[N@H+]2Cc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 ZINC001355564401 1060365825 /nfs/dbraw/zinc/36/58/25/1060365825.db2.gz DLLYRLBEGFNZAX-APWZRJJASA-N 1 2 354.433 2.594 20 30 FFEDLO C=CC[C@@H]1N(c2nnc([C@H]3C[C@H](O)C[N@H+]3C)n2CC=C)CCCC1(C)C ZINC001355920632 1060729993 /nfs/dbraw/zinc/72/99/93/1060729993.db2.gz URERLVLEWUTZHR-BBWFWOEESA-N 1 2 359.518 2.773 20 30 FFEDLO C=CC[C@@H]1N(c2nnc([C@H]3C[C@H](O)C[N@@H+]3C)n2CC=C)CCCC1(C)C ZINC001355920632 1060730013 /nfs/dbraw/zinc/73/00/13/1060730013.db2.gz URERLVLEWUTZHR-BBWFWOEESA-N 1 2 359.518 2.773 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](CC)CC[C@H]2C)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001355957104 1060761334 /nfs/dbraw/zinc/76/13/34/1060761334.db2.gz BYRCFCHROXJEDB-PDOICOKGSA-N 1 2 361.534 2.781 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](CC)CC[C@H]2C)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001355957104 1060761345 /nfs/dbraw/zinc/76/13/45/1060761345.db2.gz BYRCFCHROXJEDB-PDOICOKGSA-N 1 2 361.534 2.781 20 30 FFEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC001459928820 1060852014 /nfs/dbraw/zinc/85/20/14/1060852014.db2.gz CHVCIPWDAVSIEX-MOPGFXCFSA-N 1 2 367.424 2.848 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](c2cnccn2)C1 ZINC001460857021 1061130724 /nfs/dbraw/zinc/13/07/24/1061130724.db2.gz KGTWUZXURHSIPV-OLZOCXBDSA-N 1 2 367.478 2.715 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](c2cnccn2)C1 ZINC001460857021 1061130731 /nfs/dbraw/zinc/13/07/31/1061130731.db2.gz KGTWUZXURHSIPV-OLZOCXBDSA-N 1 2 367.478 2.715 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460978311 1061174705 /nfs/dbraw/zinc/17/47/05/1061174705.db2.gz UEFJNMLOJMQLLE-SPYBWZPUSA-N 1 2 352.475 2.731 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460978311 1061174712 /nfs/dbraw/zinc/17/47/12/1061174712.db2.gz UEFJNMLOJMQLLE-SPYBWZPUSA-N 1 2 352.475 2.731 20 30 FFEDLO Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccc(C(N)=O)cc1-n1cc[nH+]c1 ZINC001526657259 1061205284 /nfs/dbraw/zinc/20/52/84/1061205284.db2.gz NTYITHGZMVVRJH-UHFFFAOYSA-N 1 2 373.416 2.641 20 30 FFEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2c(C#N)sc3ccccc32)C[C@H]1C ZINC001463433671 1062102969 /nfs/dbraw/zinc/10/29/69/1062102969.db2.gz NDDNBAGIMYLLCB-CHWSQXEVSA-N 1 2 363.508 2.876 20 30 FFEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2c(C#N)sc3ccccc32)C[C@H]1C ZINC001463433671 1062102973 /nfs/dbraw/zinc/10/29/73/1062102973.db2.gz NDDNBAGIMYLLCB-CHWSQXEVSA-N 1 2 363.508 2.876 20 30 FFEDLO C=CCOc1ccc(CNS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)cc1 ZINC001463677236 1062209391 /nfs/dbraw/zinc/20/93/91/1062209391.db2.gz PIBJODCGLZCBQW-UHFFFAOYSA-N 1 2 372.490 2.718 20 30 FFEDLO C=CCOc1ccc(CNS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)cc1 ZINC001463677236 1062209403 /nfs/dbraw/zinc/20/94/03/1062209403.db2.gz PIBJODCGLZCBQW-UHFFFAOYSA-N 1 2 372.490 2.718 20 30 FFEDLO COCCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)C[C@@H](C)C#N ZINC001523611314 1062543505 /nfs/dbraw/zinc/54/35/05/1062543505.db2.gz FJVCHSGTRPEVFU-DLBZAZTESA-N 1 2 370.501 2.713 20 30 FFEDLO COCCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)C[C@@H](C)C#N ZINC001523611314 1062543527 /nfs/dbraw/zinc/54/35/27/1062543527.db2.gz FJVCHSGTRPEVFU-DLBZAZTESA-N 1 2 370.501 2.713 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(CC(C)C)no1 ZINC001479562138 1062544064 /nfs/dbraw/zinc/54/40/64/1062544064.db2.gz NIDRECLWZWTYEY-SJORKVTESA-N 1 2 360.502 2.644 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nc(-c3ccoc3)no2)[C@@H]1CC ZINC001479633755 1062663674 /nfs/dbraw/zinc/66/36/74/1062663674.db2.gz IAWZTFQUAUSVNA-JKSUJKDBSA-N 1 2 356.426 2.602 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(-c3ccoc3)no2)[C@@H]1CC ZINC001479633755 1062663684 /nfs/dbraw/zinc/66/36/84/1062663684.db2.gz IAWZTFQUAUSVNA-JKSUJKDBSA-N 1 2 356.426 2.602 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)Nc3ccc(C#N)cc3)C2)cc1 ZINC001464925647 1062908706 /nfs/dbraw/zinc/90/87/06/1062908706.db2.gz VETBEKXNXGQITC-FQEVSTJZSA-N 1 2 364.449 2.889 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)Nc3ccc(C#N)cc3)C2)cc1 ZINC001464925647 1062908725 /nfs/dbraw/zinc/90/87/25/1062908725.db2.gz VETBEKXNXGQITC-FQEVSTJZSA-N 1 2 364.449 2.889 20 30 FFEDLO N#CCCN(Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001442495573 1063539341 /nfs/dbraw/zinc/53/93/41/1063539341.db2.gz CMDDMCYBUIVKLY-UHFFFAOYSA-N 1 2 365.349 2.930 20 30 FFEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccnc(C#N)c3)c2C1 ZINC001467726808 1063832553 /nfs/dbraw/zinc/83/25/53/1063832553.db2.gz NBJXRXYMQOJFID-UHFFFAOYSA-N 1 2 371.444 2.809 20 30 FFEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccnc(C#N)c3)c2C1 ZINC001467726808 1063832575 /nfs/dbraw/zinc/83/25/75/1063832575.db2.gz NBJXRXYMQOJFID-UHFFFAOYSA-N 1 2 371.444 2.809 20 30 FFEDLO C=C(C)CC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H]2CC[C@H](F)C2)CC1 ZINC001575048529 1078100692 /nfs/dbraw/zinc/10/06/92/1078100692.db2.gz DZZIDKWSNPJOEP-CVEARBPZSA-N 1 2 363.481 2.702 20 30 FFEDLO C=CCC1(C(=O)NCC[C@@H]2C[N@@H+](CCc3cnn[nH]3)C[C@H]2C)CCCC1 ZINC001575084991 1078103811 /nfs/dbraw/zinc/10/38/11/1078103811.db2.gz GJHYVZLSBOYEPF-IAGOWNOFSA-N 1 2 359.518 2.558 20 30 FFEDLO C=CCC1(C(=O)NCC[C@@H]2C[N@H+](CCc3cnn[nH]3)C[C@H]2C)CCCC1 ZINC001575084991 1078103814 /nfs/dbraw/zinc/10/38/14/1078103814.db2.gz GJHYVZLSBOYEPF-IAGOWNOFSA-N 1 2 359.518 2.558 20 30 FFEDLO CN(CCCNC(=O)c1ccc(Br)cc1C#N)c1cccc[nH+]1 ZINC001471494368 1064695707 /nfs/dbraw/zinc/69/57/07/1064695707.db2.gz JWRLFNZWVRGRKN-UHFFFAOYSA-N 1 2 373.254 2.972 20 30 FFEDLO C#CCN1CCN(C(=O)C[N@@H+](CC=C(C)C)Cc2ccc(Cl)cc2)CC1 ZINC001473417671 1065260891 /nfs/dbraw/zinc/26/08/91/1065260891.db2.gz LYBYRBPQDJYBHI-UHFFFAOYSA-N 1 2 373.928 2.886 20 30 FFEDLO C#CCN1CCN(C(=O)C[N@H+](CC=C(C)C)Cc2ccc(Cl)cc2)CC1 ZINC001473417671 1065260900 /nfs/dbraw/zinc/26/09/00/1065260900.db2.gz LYBYRBPQDJYBHI-UHFFFAOYSA-N 1 2 373.928 2.886 20 30 FFEDLO COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001473639469 1065305689 /nfs/dbraw/zinc/30/56/89/1065305689.db2.gz JYVVVTYHVPWNPX-QWHCGFSZSA-N 1 2 371.315 2.640 20 30 FFEDLO COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001473639469 1065305698 /nfs/dbraw/zinc/30/56/98/1065305698.db2.gz JYVVVTYHVPWNPX-QWHCGFSZSA-N 1 2 371.315 2.640 20 30 FFEDLO N#Cc1cc(F)ccc1N1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC001473725727 1065334885 /nfs/dbraw/zinc/33/48/85/1065334885.db2.gz LHYZUDBWTCUGFE-UHFFFAOYSA-N 1 2 363.330 2.736 20 30 FFEDLO CN(CCCNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1cccc[nH+]1 ZINC001558088188 1075940049 /nfs/dbraw/zinc/94/00/49/1075940049.db2.gz PSPDVXKOPYADFH-IBGZPJMESA-N 1 2 363.465 2.565 20 30 FFEDLO C=CCOc1ccc(/C=C/C(=O)N[C@@H](CC)C[NH+]2CCOCC2)cc1OC ZINC001558422408 1076001410 /nfs/dbraw/zinc/00/14/10/1076001410.db2.gz CUQXECORQXPXBT-KOEDOTQGSA-N 1 2 374.481 2.500 20 30 FFEDLO CCC[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC001559734782 1076186234 /nfs/dbraw/zinc/18/62/34/1076186234.db2.gz WYUAHSWXWOQBOO-KRWDZBQOSA-N 1 2 362.470 2.546 20 30 FFEDLO CCC[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC001559734782 1076186238 /nfs/dbraw/zinc/18/62/38/1076186238.db2.gz WYUAHSWXWOQBOO-KRWDZBQOSA-N 1 2 362.470 2.546 20 30 FFEDLO N#Cc1c(F)cccc1C[NH2+]C[C@H]1CC(c2ccc3c(c2)CCO3)=NO1 ZINC001560993057 1076317140 /nfs/dbraw/zinc/31/71/40/1076317140.db2.gz XBUHETHSMDXPBW-MRXNPFEDSA-N 1 2 351.381 2.915 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(C(F)F)no1 ZINC001565962726 1076815454 /nfs/dbraw/zinc/81/54/54/1076815454.db2.gz NUTNUCGBDFNOJJ-KGLIPLIRSA-N 1 2 368.428 2.918 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2cscc2Br)[C@@H]1C ZINC001566082737 1076889735 /nfs/dbraw/zinc/88/97/35/1076889735.db2.gz MPLKORYIQGFBQY-BREBYQMCSA-N 1 2 356.289 2.749 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2cscc2Br)[C@@H]1C ZINC001566082737 1076889740 /nfs/dbraw/zinc/88/97/40/1076889740.db2.gz MPLKORYIQGFBQY-BREBYQMCSA-N 1 2 356.289 2.749 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccn(C)n2)[C@@H]1C)c1ccccc1 ZINC001566115654 1076919985 /nfs/dbraw/zinc/91/99/85/1076919985.db2.gz YOQNMGLGDBVGOS-UWVAXJGDSA-N 1 2 352.482 2.859 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccn(C)n2)[C@@H]1C)c1ccccc1 ZINC001566115654 1076919989 /nfs/dbraw/zinc/91/99/89/1076919989.db2.gz YOQNMGLGDBVGOS-UWVAXJGDSA-N 1 2 352.482 2.859 20 30 FFEDLO C[C@H]1CC(NC(=O)[C@H](c2cccc(Br)c2)[NH+]2CCCC2)=NO1 ZINC001567210323 1077005171 /nfs/dbraw/zinc/00/51/71/1077005171.db2.gz HVYGADVJCKHVHU-NHYWBVRUSA-N 1 2 366.259 2.825 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+](Cc1cc(C2CC2)no1)C1CC1 ZINC001567451289 1077028671 /nfs/dbraw/zinc/02/86/71/1077028671.db2.gz KYWVQESBSRPZEQ-HKUYNNGSSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](Cc1cc(C2CC2)no1)C1CC1 ZINC001567451289 1077028677 /nfs/dbraw/zinc/02/86/77/1077028677.db2.gz KYWVQESBSRPZEQ-HKUYNNGSSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)[C@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001567687576 1077044555 /nfs/dbraw/zinc/04/45/55/1077044555.db2.gz BDNHPOHRJQOZHE-BBWFWOEESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)[C@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001567687576 1077044559 /nfs/dbraw/zinc/04/45/59/1077044559.db2.gz BDNHPOHRJQOZHE-BBWFWOEESA-N 1 2 363.527 2.856 20 30 FFEDLO C=CC[N@@H+](C)CCN(CC)C(=O)c1cc(S(=O)(=O)CC)ccc1Cl ZINC001568551805 1077100751 /nfs/dbraw/zinc/10/07/51/1077100751.db2.gz TYPWYOWTGXDZNT-UHFFFAOYSA-N 1 2 372.918 2.714 20 30 FFEDLO C=CC[N@H+](C)CCN(CC)C(=O)c1cc(S(=O)(=O)CC)ccc1Cl ZINC001568551805 1077100753 /nfs/dbraw/zinc/10/07/53/1077100753.db2.gz TYPWYOWTGXDZNT-UHFFFAOYSA-N 1 2 372.918 2.714 20 30 FFEDLO Cc1cc(C)c(C(=O)N2C[C@H]3CCN(C(=O)C#CC(C)(C)C)C[C@H]32)c(C)[nH+]1 ZINC001573063706 1077502731 /nfs/dbraw/zinc/50/27/31/1077502731.db2.gz UUZJDRWMRWYITB-QZTJIDSGSA-N 1 2 367.493 2.729 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001573496343 1077716771 /nfs/dbraw/zinc/71/67/71/1077716771.db2.gz PRTBXYVEUCHJGM-KSZLIROESA-N 1 2 358.486 2.524 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001588742174 1080177816 /nfs/dbraw/zinc/17/78/16/1080177816.db2.gz OYLQEIGJQKMRHK-AKHDSKFASA-N 1 2 373.545 2.750 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C2CC2)CC1 ZINC001588871724 1080223762 /nfs/dbraw/zinc/22/37/62/1080223762.db2.gz OEVOOMJBABWYPE-UHFFFAOYSA-N 1 2 371.872 2.601 20 30 FFEDLO C=C(C)C[C@H](NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)C(=O)OCC ZINC001589371376 1080507524 /nfs/dbraw/zinc/50/75/24/1080507524.db2.gz MUUOOCIGFXMWKZ-SFHVURJKSA-N 1 2 370.453 2.623 20 30 FFEDLO C[C@H]1C[C@H](c2cccnc2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000359870868 210193348 /nfs/dbraw/zinc/19/33/48/210193348.db2.gz JPSUSLCWCWXKPD-HNAYVOBHSA-N 1 2 355.463 2.810 20 30 FFEDLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000359870868 210193353 /nfs/dbraw/zinc/19/33/53/210193353.db2.gz JPSUSLCWCWXKPD-HNAYVOBHSA-N 1 2 355.463 2.810 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000025390861 210162377 /nfs/dbraw/zinc/16/23/77/210162377.db2.gz MZQGKXUARVBISJ-JOCHJYFZSA-N 1 2 366.461 2.954 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000025390861 210162381 /nfs/dbraw/zinc/16/23/81/210162381.db2.gz MZQGKXUARVBISJ-JOCHJYFZSA-N 1 2 366.461 2.954 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C2CCc3ccccc3CC2)c1C#N ZINC000530260964 539923737 /nfs/dbraw/zinc/92/37/37/539923737.db2.gz DRZYXHFBKHBMDG-UHFFFAOYSA-N 1 2 351.454 2.567 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+]([C@H](C)C(=O)Nc1ccccc1C#N)CC2 ZINC000007418518 249310070 /nfs/dbraw/zinc/31/00/70/249310070.db2.gz MQYGSNQFKYOSLM-CQSZACIVSA-N 1 2 365.433 2.961 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+]([C@H](C)C(=O)Nc1ccccc1C#N)CC2 ZINC000007418518 249310072 /nfs/dbraw/zinc/31/00/72/249310072.db2.gz MQYGSNQFKYOSLM-CQSZACIVSA-N 1 2 365.433 2.961 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000027569713 249344920 /nfs/dbraw/zinc/34/49/20/249344920.db2.gz MRCLAGURDMDXDC-HNNXBMFYSA-N 1 2 368.462 2.909 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000027569713 249344924 /nfs/dbraw/zinc/34/49/24/249344924.db2.gz MRCLAGURDMDXDC-HNNXBMFYSA-N 1 2 368.462 2.909 20 30 FFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105301667 250208369 /nfs/dbraw/zinc/20/83/69/250208369.db2.gz QZWLWVVTZYIJIS-IAGOWNOFSA-N 1 2 358.486 2.589 20 30 FFEDLO Cc1nc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)ccc1C#N ZINC000272641332 252088943 /nfs/dbraw/zinc/08/89/43/252088943.db2.gz LRWBBUULNJFPSY-GOSISDBHSA-N 1 2 361.405 2.885 20 30 FFEDLO Cc1nc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)ccc1C#N ZINC000272641332 252088945 /nfs/dbraw/zinc/08/89/45/252088945.db2.gz LRWBBUULNJFPSY-GOSISDBHSA-N 1 2 361.405 2.885 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000273346413 252287431 /nfs/dbraw/zinc/28/74/31/252287431.db2.gz ONARSLPECLERRP-UHFFFAOYSA-N 1 2 374.404 2.863 20 30 FFEDLO CCS(=O)(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000276269849 256085696 /nfs/dbraw/zinc/08/56/96/256085696.db2.gz GXVWLSSYTFLLRF-UHFFFAOYSA-N 1 2 369.490 2.674 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000277619070 256218635 /nfs/dbraw/zinc/21/86/35/256218635.db2.gz AGRZXUYWUXRXKY-JKIFEVAISA-N 1 2 372.469 2.730 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000277619070 256218636 /nfs/dbraw/zinc/21/86/36/256218636.db2.gz AGRZXUYWUXRXKY-JKIFEVAISA-N 1 2 372.469 2.730 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278779451 256347128 /nfs/dbraw/zinc/34/71/28/256347128.db2.gz PPTRCMYFDXSESN-UHFFFAOYSA-N 1 2 370.478 2.659 20 30 FFEDLO CCn1nccc1C1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000278922455 256362689 /nfs/dbraw/zinc/36/26/89/256362689.db2.gz RTUCZPOBLSVZIL-KRWDZBQOSA-N 1 2 369.494 2.821 20 30 FFEDLO COc1cc[nH+]cc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000286162826 257023153 /nfs/dbraw/zinc/02/31/53/257023153.db2.gz YDDKIXVIKRILQB-UHFFFAOYSA-N 1 2 354.385 2.956 20 30 FFEDLO C[C@@H](CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)Cn1cc[nH+]c1 ZINC000286500137 257040113 /nfs/dbraw/zinc/04/01/13/257040113.db2.gz PQZRIXXUBQYBRQ-HNNXBMFYSA-N 1 2 369.444 2.563 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000288840836 257231818 /nfs/dbraw/zinc/23/18/18/257231818.db2.gz OPPMDDJOCOAPJP-LJQANCHMSA-N 1 2 373.453 2.624 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000288840836 257231819 /nfs/dbraw/zinc/23/18/19/257231819.db2.gz OPPMDDJOCOAPJP-LJQANCHMSA-N 1 2 373.453 2.624 20 30 FFEDLO N#Cc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1F ZINC000289959297 257308743 /nfs/dbraw/zinc/30/87/43/257308743.db2.gz WTYNCHSLJWHZQF-UHFFFAOYSA-N 1 2 368.412 2.851 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000293374043 257543894 /nfs/dbraw/zinc/54/38/94/257543894.db2.gz PGBRAILXIHONJL-UHFFFAOYSA-N 1 2 355.463 2.584 20 30 FFEDLO C[C@@H]1CN(c2ccc(Nc3ncc(C#N)cc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000295638375 257640557 /nfs/dbraw/zinc/64/05/57/257640557.db2.gz XZOKPZVYCPPUHD-VXGBXAGGSA-N 1 2 354.370 2.614 20 30 FFEDLO Cc1cccc([C@@H](CNc2nc3ccccn3c2C#N)[NH+]2CCOCC2)c1 ZINC000302099731 258087556 /nfs/dbraw/zinc/08/75/56/258087556.db2.gz PLJBKVYMCWPUFI-LJQANCHMSA-N 1 2 361.449 3.000 20 30 FFEDLO CCc1nnc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)c1CC ZINC000301632297 258059899 /nfs/dbraw/zinc/05/98/99/258059899.db2.gz UMXYMNGEXFJZAY-KRWDZBQOSA-N 1 2 365.481 2.786 20 30 FFEDLO CCc1nnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)c1CC ZINC000301632297 258059900 /nfs/dbraw/zinc/05/99/00/258059900.db2.gz UMXYMNGEXFJZAY-KRWDZBQOSA-N 1 2 365.481 2.786 20 30 FFEDLO CCc1nnc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c(C#N)c1CC ZINC000301638762 258060357 /nfs/dbraw/zinc/06/03/57/258060357.db2.gz XULSWUCUPIYTKR-HXUWFJFHSA-N 1 2 365.481 2.958 20 30 FFEDLO COCCC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000330982241 258174802 /nfs/dbraw/zinc/17/48/02/258174802.db2.gz JYCPSQHZKFPYNP-UHFFFAOYSA-N 1 2 355.482 2.799 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(O)(C(F)F)CC1 ZINC000331180566 258179324 /nfs/dbraw/zinc/17/93/24/258179324.db2.gz YVDFRLZLZKFABA-JTQLQIEISA-N 1 2 357.788 2.631 20 30 FFEDLO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1nc(C(C)(C)C)no1 ZINC000331451569 258186507 /nfs/dbraw/zinc/18/65/07/258186507.db2.gz XSNJOETVQFIKGS-ZYHUDNBSSA-N 1 2 359.455 2.756 20 30 FFEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(Cc3ccc(C#N)cc3F)CC2)C1 ZINC000332005826 258209872 /nfs/dbraw/zinc/20/98/72/258209872.db2.gz SCWPGLOJEBEGDL-QFBILLFUSA-N 1 2 372.488 2.510 20 30 FFEDLO Cc1onc(CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)c1C#N ZINC000332308887 258224445 /nfs/dbraw/zinc/22/44/45/258224445.db2.gz SIBZNVOOXQBTCE-ZDUSSCGKSA-N 1 2 372.856 2.956 20 30 FFEDLO C[C@H]1C[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)c2[nH+]ccn21 ZINC000333237692 258257743 /nfs/dbraw/zinc/25/77/43/258257743.db2.gz ZGYOOTKJBQXABZ-RDJZCZTQSA-N 1 2 364.453 2.682 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1C(F)(F)F ZINC000331792910 258200977 /nfs/dbraw/zinc/20/09/77/258200977.db2.gz HHSJXOONJYARTC-CYBMUJFWSA-N 1 2 370.356 2.826 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000052723680 506238463 /nfs/dbraw/zinc/23/84/63/506238463.db2.gz QQWZVTQZMHHRNL-CQSZACIVSA-N 1 2 355.404 2.514 20 30 FFEDLO COc1cc(C#N)ccc1OCC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000065011536 506250433 /nfs/dbraw/zinc/25/04/33/506250433.db2.gz UQWKVANJOMTPID-UHFFFAOYSA-N 1 2 362.389 2.985 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(CO)CC2)c1C#N ZINC000052819993 506255579 /nfs/dbraw/zinc/25/55/79/506255579.db2.gz XSGDKWQBLUSKCV-UHFFFAOYSA-N 1 2 358.486 2.735 20 30 FFEDLO COc1ccc(Br)cc1C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000052896332 506274995 /nfs/dbraw/zinc/27/49/95/506274995.db2.gz UFAYQTGRBSDKQL-LBPRGKRZSA-N 1 2 368.275 2.650 20 30 FFEDLO COc1ccc(Br)cc1C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000052896332 506275004 /nfs/dbraw/zinc/27/50/04/506275004.db2.gz UFAYQTGRBSDKQL-LBPRGKRZSA-N 1 2 368.275 2.650 20 30 FFEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1CCCCC(C)(C)C#N ZINC000373114629 512177655 /nfs/dbraw/zinc/17/76/55/512177655.db2.gz BQHHPQXDTCISHF-GOSISDBHSA-N 1 2 353.470 2.836 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000410313875 512237907 /nfs/dbraw/zinc/23/79/07/512237907.db2.gz ADXOIXUXUWAEAC-AWEZNQCLSA-N 1 2 356.253 2.651 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000410313875 512237909 /nfs/dbraw/zinc/23/79/09/512237909.db2.gz ADXOIXUXUWAEAC-AWEZNQCLSA-N 1 2 356.253 2.651 20 30 FFEDLO N#CCSCC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000041941668 506570837 /nfs/dbraw/zinc/57/08/37/506570837.db2.gz GOXKBMYVCHEYHM-CQSZACIVSA-N 1 2 355.866 2.989 20 30 FFEDLO CC(C)(C)OC(=O)CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000042123050 506600563 /nfs/dbraw/zinc/60/05/63/506600563.db2.gz DGKBWBLUXNMQCZ-UHFFFAOYSA-N 1 2 372.425 2.660 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](CC(N)=O)C(C)C)c1C#N ZINC000008532949 506657490 /nfs/dbraw/zinc/65/74/90/506657490.db2.gz PRQOAYUCNDDECG-UHFFFAOYSA-N 1 2 373.501 2.616 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](CC(N)=O)C(C)C)c1C#N ZINC000008532949 506657493 /nfs/dbraw/zinc/65/74/93/506657493.db2.gz PRQOAYUCNDDECG-UHFFFAOYSA-N 1 2 373.501 2.616 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@H+](CCC(=O)Nc3cc(N)ccc3F)CCO2)c1 ZINC000371290868 512309928 /nfs/dbraw/zinc/30/99/28/512309928.db2.gz FVNFMBCAQAUGMS-LJQANCHMSA-N 1 2 368.412 2.682 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@@H+](CCC(=O)Nc3cc(N)ccc3F)CCO2)c1 ZINC000371290868 512309933 /nfs/dbraw/zinc/30/99/33/512309933.db2.gz FVNFMBCAQAUGMS-LJQANCHMSA-N 1 2 368.412 2.682 20 30 FFEDLO N#CC1(NC(=O)C[NH+]2CCC(C(=O)c3ccccc3)CC2)CCCCC1 ZINC000014809132 507000547 /nfs/dbraw/zinc/00/05/47/507000547.db2.gz RTPBEFZKDYMBLH-UHFFFAOYSA-N 1 2 353.466 2.924 20 30 FFEDLO CCOc1ccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000017842938 507129683 /nfs/dbraw/zinc/12/96/83/507129683.db2.gz UTDUSKPVIBAYMO-UHFFFAOYSA-N 1 2 363.461 2.844 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000023437571 507353502 /nfs/dbraw/zinc/35/35/02/507353502.db2.gz IIBKKOZJBREWRQ-UHFFFAOYSA-N 1 2 369.852 2.935 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000047540129 507353626 /nfs/dbraw/zinc/35/36/26/507353626.db2.gz SBANGNJZKXVYNF-AWEZNQCLSA-N 1 2 372.469 2.874 20 30 FFEDLO CO/N=C/c1ccc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000058331849 507406648 /nfs/dbraw/zinc/40/66/48/507406648.db2.gz IRLMAIRGUIRNDS-HZHRSRAPSA-N 1 2 352.438 2.982 20 30 FFEDLO C=CCNC(=O)[C@H](C)Sc1nnc([C@H](CC)[NH+](C)C)n1CCCC ZINC000069449773 507492519 /nfs/dbraw/zinc/49/25/19/507492519.db2.gz PGIGQOKIVVKWKP-KBPBESRZSA-N 1 2 353.536 2.874 20 30 FFEDLO CC1CCN(c2ccc(CNC(=O)COc3ccc(C#N)cc3)c[nH+]2)CC1 ZINC000061899807 507646372 /nfs/dbraw/zinc/64/63/72/507646372.db2.gz NLRXDAMMAHTPGP-UHFFFAOYSA-N 1 2 364.449 2.885 20 30 FFEDLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028961140 507753263 /nfs/dbraw/zinc/75/32/63/507753263.db2.gz PYBIQTFTBSOSFF-WIYYLYMNSA-N 1 2 368.525 2.761 20 30 FFEDLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028961140 507753271 /nfs/dbraw/zinc/75/32/71/507753271.db2.gz PYBIQTFTBSOSFF-WIYYLYMNSA-N 1 2 368.525 2.761 20 30 FFEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)c(OC)c1 ZINC000029441493 507778311 /nfs/dbraw/zinc/77/83/11/507778311.db2.gz FDCJSIVQTAJILE-PXNSSMCTSA-N 1 2 359.470 2.895 20 30 FFEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)c(OC)c1 ZINC000029441493 507778314 /nfs/dbraw/zinc/77/83/14/507778314.db2.gz FDCJSIVQTAJILE-PXNSSMCTSA-N 1 2 359.470 2.895 20 30 FFEDLO CCOC(=O)c1nc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000051621447 507779082 /nfs/dbraw/zinc/77/90/82/507779082.db2.gz PCCCBZZWIPBBTO-UHFFFAOYSA-N 1 2 370.478 2.509 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000029553368 507782321 /nfs/dbraw/zinc/78/23/21/507782321.db2.gz IZEQTBLYCRMPCM-OAHLLOKOSA-N 1 2 350.422 2.637 20 30 FFEDLO Cc1cccc(-c2noc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)n2)c1 ZINC000029714326 507787880 /nfs/dbraw/zinc/78/78/80/507787880.db2.gz CXMPLAMCYVWBHN-UHFFFAOYSA-N 1 2 360.421 2.634 20 30 FFEDLO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029856997 507793298 /nfs/dbraw/zinc/79/32/98/507793298.db2.gz CEWDJSKTJANOQU-SJORKVTESA-N 1 2 372.488 2.999 20 30 FFEDLO CC(C)CCN(CCC#N)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000072691213 507843347 /nfs/dbraw/zinc/84/33/47/507843347.db2.gz FITYKEMRPDPIEO-UHFFFAOYSA-N 1 2 362.543 2.654 20 30 FFEDLO C[N@H+](CCc1cccs1)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000072800591 507855026 /nfs/dbraw/zinc/85/50/26/507855026.db2.gz YLAGGRVUBIBHDJ-HNNXBMFYSA-N 1 2 366.446 2.748 20 30 FFEDLO C[N@@H+](CCc1cccs1)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000072800591 507855028 /nfs/dbraw/zinc/85/50/28/507855028.db2.gz YLAGGRVUBIBHDJ-HNNXBMFYSA-N 1 2 366.446 2.748 20 30 FFEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)NCc2ccccc2Cl)cs1 ZINC000072920144 507873664 /nfs/dbraw/zinc/87/36/64/507873664.db2.gz AYJLLFLDGIQRNX-SNVBAGLBSA-N 1 2 366.874 2.641 20 30 FFEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)Nc2cc(F)ccc2C)cs1 ZINC000072920138 507873687 /nfs/dbraw/zinc/87/36/87/507873687.db2.gz FDPFMPLENKGJGU-JTQLQIEISA-N 1 2 350.419 2.758 20 30 FFEDLO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078616091 507889697 /nfs/dbraw/zinc/88/96/97/507889697.db2.gz BBDGDAHSNGVVGU-PXNSSMCTSA-N 1 2 354.498 2.706 20 30 FFEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108770 507894983 /nfs/dbraw/zinc/89/49/83/507894983.db2.gz OEZXMJKKQAZIFP-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000108528791 507900987 /nfs/dbraw/zinc/90/09/87/507900987.db2.gz BDHPWKYRGNXQHA-CABCVRRESA-N 1 2 362.499 2.781 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCCC3(C2)OCCO3)c1 ZINC000090561240 507927956 /nfs/dbraw/zinc/92/79/56/507927956.db2.gz NJTAHUCNVBGLPA-SFHVURJKSA-N 1 2 371.481 2.778 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCCC3(C2)OCCO3)c1 ZINC000090561240 507927957 /nfs/dbraw/zinc/92/79/57/507927957.db2.gz NJTAHUCNVBGLPA-SFHVURJKSA-N 1 2 371.481 2.778 20 30 FFEDLO CCCNC(=O)C1CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000091065872 507948533 /nfs/dbraw/zinc/94/85/33/507948533.db2.gz ROIDGCSKNMISLZ-UHFFFAOYSA-N 1 2 365.481 2.791 20 30 FFEDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091067532 507948578 /nfs/dbraw/zinc/94/85/78/507948578.db2.gz ZIIAYYGGOPSFLE-LJQANCHMSA-N 1 2 365.481 2.885 20 30 FFEDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091067532 507948579 /nfs/dbraw/zinc/94/85/79/507948579.db2.gz ZIIAYYGGOPSFLE-LJQANCHMSA-N 1 2 365.481 2.885 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1Cl ZINC000109757937 507984646 /nfs/dbraw/zinc/98/46/46/507984646.db2.gz IFFXHBRDWJYAMI-OCCSQVGLSA-N 1 2 361.751 2.538 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1Cl ZINC000109757937 507984648 /nfs/dbraw/zinc/98/46/48/507984648.db2.gz IFFXHBRDWJYAMI-OCCSQVGLSA-N 1 2 361.751 2.538 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091629243 507997845 /nfs/dbraw/zinc/99/78/45/507997845.db2.gz FWFKUJMFSYCYNM-FUHWJXTLSA-N 1 2 365.437 2.578 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091629243 507997846 /nfs/dbraw/zinc/99/78/46/507997846.db2.gz FWFKUJMFSYCYNM-FUHWJXTLSA-N 1 2 365.437 2.578 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000091891011 508021818 /nfs/dbraw/zinc/02/18/18/508021818.db2.gz TYXKEGUAPPIVJJ-UHFFFAOYSA-N 1 2 367.497 2.959 20 30 FFEDLO CCOc1ccc(C(=O)N(C)C)cc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000092174039 508047631 /nfs/dbraw/zinc/04/76/31/508047631.db2.gz MWMUNMPCQANBKK-UHFFFAOYSA-N 1 2 363.421 2.919 20 30 FFEDLO C=CC[N@@H+](Cc1cc(Cl)c(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361067 508064103 /nfs/dbraw/zinc/06/41/03/508064103.db2.gz XMHUNEWJYXABSN-AWEZNQCLSA-N 1 2 373.902 2.922 20 30 FFEDLO C=CC[N@H+](Cc1cc(Cl)c(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361067 508064106 /nfs/dbraw/zinc/06/41/06/508064106.db2.gz XMHUNEWJYXABSN-AWEZNQCLSA-N 1 2 373.902 2.922 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OC)c(OCC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092360957 508064215 /nfs/dbraw/zinc/06/42/15/508064215.db2.gz VTUINISHFVNODR-QGZVFWFLSA-N 1 2 367.511 2.905 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OC)c(OCC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092360957 508064218 /nfs/dbraw/zinc/06/42/18/508064218.db2.gz VTUINISHFVNODR-QGZVFWFLSA-N 1 2 367.511 2.905 20 30 FFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000111208245 508077825 /nfs/dbraw/zinc/07/78/25/508077825.db2.gz TZIPZRISVZGRAQ-CQSZACIVSA-N 1 2 357.332 2.746 20 30 FFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000111208245 508077826 /nfs/dbraw/zinc/07/78/26/508077826.db2.gz TZIPZRISVZGRAQ-CQSZACIVSA-N 1 2 357.332 2.746 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000111231709 508080200 /nfs/dbraw/zinc/08/02/00/508080200.db2.gz IFKYLFVFNUEZPY-JSGCOSHPSA-N 1 2 361.751 2.538 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000111231709 508080202 /nfs/dbraw/zinc/08/02/02/508080202.db2.gz IFKYLFVFNUEZPY-JSGCOSHPSA-N 1 2 361.751 2.538 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)c(F)c1 ZINC000092596955 508085823 /nfs/dbraw/zinc/08/58/23/508085823.db2.gz WIIHGPHXGFPDQS-UHFFFAOYSA-N 1 2 360.396 2.539 20 30 FFEDLO N#Cc1ccc(N2CCN(Cc3c[nH+]c4ccc(C#N)cn34)CC2)c(F)c1 ZINC000092596955 508085826 /nfs/dbraw/zinc/08/58/26/508085826.db2.gz WIIHGPHXGFPDQS-UHFFFAOYSA-N 1 2 360.396 2.539 20 30 FFEDLO C=CC1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)CC1 ZINC000111465298 508101246 /nfs/dbraw/zinc/10/12/46/508101246.db2.gz BPOYYOCETMLXOQ-HOTGVXAUSA-N 1 2 358.486 2.803 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000092795821 508101622 /nfs/dbraw/zinc/10/16/22/508101622.db2.gz GHLWHUBQAGMNGV-MRXNPFEDSA-N 1 2 353.825 2.615 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000092795821 508101625 /nfs/dbraw/zinc/10/16/25/508101625.db2.gz GHLWHUBQAGMNGV-MRXNPFEDSA-N 1 2 353.825 2.615 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000080904593 508110051 /nfs/dbraw/zinc/11/00/51/508110051.db2.gz ULTKHPDLXCYDQF-IBGZPJMESA-N 1 2 366.421 2.856 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CC2)cc1 ZINC000081112061 508139749 /nfs/dbraw/zinc/13/97/49/508139749.db2.gz REDPKXFVAYUDBY-FCHUYYIVSA-N 1 2 370.456 2.878 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(Br)ccc1F ZINC000081211964 508148379 /nfs/dbraw/zinc/14/83/79/508148379.db2.gz YGULAXBYCBYQBP-UHFFFAOYSA-N 1 2 370.266 2.636 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(CO)CC1 ZINC000076991696 508271863 /nfs/dbraw/zinc/27/18/63/508271863.db2.gz DYPUOXYHPBVXRO-CYBMUJFWSA-N 1 2 361.511 2.920 20 30 FFEDLO CCN(CCC#N)C(=O)C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000077021019 508274475 /nfs/dbraw/zinc/27/44/75/508274475.db2.gz GAIHRWNFMSHXRX-UHFFFAOYSA-N 1 2 363.408 2.622 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105016360 508357012 /nfs/dbraw/zinc/35/70/12/508357012.db2.gz XJYNNVSTOLWXJJ-HUUCEWRRSA-N 1 2 360.458 2.576 20 30 FFEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 ZINC000127379064 508441518 /nfs/dbraw/zinc/44/15/18/508441518.db2.gz HMYLXTASXXFYAT-OAQYLSRUSA-N 1 2 374.444 2.531 20 30 FFEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000156579220 508443718 /nfs/dbraw/zinc/44/37/18/508443718.db2.gz BYPFSYMORSMIFG-UHFFFAOYSA-N 1 2 374.441 2.561 20 30 FFEDLO COc1ccccc1[C@@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156775176 508475617 /nfs/dbraw/zinc/47/56/17/508475617.db2.gz DHYYRTHHAYEGFE-QGZVFWFLSA-N 1 2 370.474 2.830 20 30 FFEDLO COc1ccccc1[C@@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156775176 508475620 /nfs/dbraw/zinc/47/56/20/508475620.db2.gz DHYYRTHHAYEGFE-QGZVFWFLSA-N 1 2 370.474 2.830 20 30 FFEDLO COc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1OCCCC#N ZINC000377690679 512401124 /nfs/dbraw/zinc/40/11/24/512401124.db2.gz DNMVSSBMJSJDKW-MSOLQXFVSA-N 1 2 360.454 2.758 20 30 FFEDLO COc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1OCCCC#N ZINC000377690679 512401129 /nfs/dbraw/zinc/40/11/29/512401129.db2.gz DNMVSSBMJSJDKW-MSOLQXFVSA-N 1 2 360.454 2.758 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000369418193 512402550 /nfs/dbraw/zinc/40/25/50/512402550.db2.gz NJDWGYJLBDSTGZ-AZUAARDMSA-N 1 2 354.381 2.505 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000369418193 512402555 /nfs/dbraw/zinc/40/25/55/512402555.db2.gz NJDWGYJLBDSTGZ-AZUAARDMSA-N 1 2 354.381 2.505 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCc4c(cccc4[N+](=O)[O-])C3)C2=O)cc1 ZINC000153375661 508576744 /nfs/dbraw/zinc/57/67/44/508576744.db2.gz KJQXKXPTBHJVNN-IBGZPJMESA-N 1 2 362.389 2.630 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCc4c(cccc4[N+](=O)[O-])C3)C2=O)cc1 ZINC000153375661 508576747 /nfs/dbraw/zinc/57/67/47/508576747.db2.gz KJQXKXPTBHJVNN-IBGZPJMESA-N 1 2 362.389 2.630 20 30 FFEDLO CCc1ccc([C@H](C)CC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000157845634 508621685 /nfs/dbraw/zinc/62/16/85/508621685.db2.gz QOVHPLVXQYMNCS-GOSISDBHSA-N 1 2 357.498 2.817 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000128861300 508652463 /nfs/dbraw/zinc/65/24/63/508652463.db2.gz RMKMLMJYQDZGIM-CRAIPNDOSA-N 1 2 367.453 2.914 20 30 FFEDLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3cnc4ccc(C#N)cn34)CC2)c1 ZINC000129041448 508674592 /nfs/dbraw/zinc/67/45/92/508674592.db2.gz YOALBBIPRBVXJY-UHFFFAOYSA-N 1 2 373.460 2.863 20 30 FFEDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3cnc4ccc(C#N)cn34)CC2)c1 ZINC000129041448 508674598 /nfs/dbraw/zinc/67/45/98/508674598.db2.gz YOALBBIPRBVXJY-UHFFFAOYSA-N 1 2 373.460 2.863 20 30 FFEDLO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000118859978 508686330 /nfs/dbraw/zinc/68/63/30/508686330.db2.gz JWIWQFFAQGZCLV-MRXNPFEDSA-N 1 2 352.442 2.549 20 30 FFEDLO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000118859978 508686332 /nfs/dbraw/zinc/68/63/32/508686332.db2.gz JWIWQFFAQGZCLV-MRXNPFEDSA-N 1 2 352.442 2.549 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000153960649 508686412 /nfs/dbraw/zinc/68/64/12/508686412.db2.gz VQAYBHLRHZZQAK-UHFFFAOYSA-N 1 2 373.503 2.908 20 30 FFEDLO C#CCSCCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000158348238 508691166 /nfs/dbraw/zinc/69/11/66/508691166.db2.gz DLRUAIWZYNIAIZ-HZPDHXFCSA-N 1 2 361.511 2.784 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)c3ccco3)CC2)cc1OC ZINC000158480389 508710761 /nfs/dbraw/zinc/71/07/61/508710761.db2.gz PSMYSDBHCIUXIG-UHFFFAOYSA-N 1 2 356.422 2.811 20 30 FFEDLO N#Cc1ccccc1OCC[N@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000119292424 508766058 /nfs/dbraw/zinc/76/60/58/508766058.db2.gz HULTVDPWRWCPKM-LJQANCHMSA-N 1 2 350.418 2.911 20 30 FFEDLO N#Cc1ccccc1OCC[N@@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000119292424 508766061 /nfs/dbraw/zinc/76/60/61/508766061.db2.gz HULTVDPWRWCPKM-LJQANCHMSA-N 1 2 350.418 2.911 20 30 FFEDLO CCc1ccccc1NC(=O)CN1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000119433282 508795100 /nfs/dbraw/zinc/79/51/00/508795100.db2.gz FRCLURNVSSFRQK-UHFFFAOYSA-N 1 2 368.506 2.938 20 30 FFEDLO C#CCCCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000159531624 508853589 /nfs/dbraw/zinc/85/35/89/508853589.db2.gz XHHQYGUUVHZEEK-GOSISDBHSA-N 1 2 370.453 2.629 20 30 FFEDLO CCCCNC(=O)[C@@H](C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000130840391 508854786 /nfs/dbraw/zinc/85/47/86/508854786.db2.gz WIUCHAWPXFNHNO-MRXNPFEDSA-N 1 2 365.481 2.533 20 30 FFEDLO C=CC[N@@H+](Cc1c(C)nn(C)c1N1CCOCC1)Cc1ccccc1F ZINC000131242925 508904162 /nfs/dbraw/zinc/90/41/62/508904162.db2.gz NSCJUFUIMVQXMK-UHFFFAOYSA-N 1 2 358.461 2.892 20 30 FFEDLO C=CC[N@H+](Cc1c(C)nn(C)c1N1CCOCC1)Cc1ccccc1F ZINC000131242925 508904169 /nfs/dbraw/zinc/90/41/69/508904169.db2.gz NSCJUFUIMVQXMK-UHFFFAOYSA-N 1 2 358.461 2.892 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000120094159 508926869 /nfs/dbraw/zinc/92/68/69/508926869.db2.gz YOPKOHJLFVUOQI-HNNXBMFYSA-N 1 2 369.425 2.707 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000120094159 508926875 /nfs/dbraw/zinc/92/68/75/508926875.db2.gz YOPKOHJLFVUOQI-HNNXBMFYSA-N 1 2 369.425 2.707 20 30 FFEDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3cc(F)ccc3C#N)CC2)C1 ZINC000160301223 508967166 /nfs/dbraw/zinc/96/71/66/508967166.db2.gz UKZZYSDVSGODIJ-JXFKEZNVSA-N 1 2 372.488 2.510 20 30 FFEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(Cc3cc(F)ccc3C#N)CC2)C1 ZINC000160301485 508967582 /nfs/dbraw/zinc/96/75/82/508967582.db2.gz UKZZYSDVSGODIJ-OXJNMPFZSA-N 1 2 372.488 2.510 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000125385429 508975490 /nfs/dbraw/zinc/97/54/90/508975490.db2.gz BHWNNYCEZWBANH-UHFFFAOYSA-N 1 2 360.417 2.896 20 30 FFEDLO CCCOc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000125615312 509007337 /nfs/dbraw/zinc/00/73/37/509007337.db2.gz SXITYTNHRWTTLF-UHFFFAOYSA-N 1 2 360.458 2.555 20 30 FFEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)COc1ccc(C#N)cc1 ZINC000126161458 509068168 /nfs/dbraw/zinc/06/81/68/509068168.db2.gz FLAUOLVGMLWLTI-UHFFFAOYSA-N 1 2 365.433 2.716 20 30 FFEDLO N#Cc1cc(F)c(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c(F)c1 ZINC000126570581 509096504 /nfs/dbraw/zinc/09/65/04/509096504.db2.gz KIDLSFBPKZAVKQ-UHFFFAOYSA-N 1 2 357.360 2.921 20 30 FFEDLO Cc1cc(C#N)ccc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000161715914 509147033 /nfs/dbraw/zinc/14/70/33/509147033.db2.gz DGIYHLJMYOZYTD-IYBDPMFKSA-N 1 2 364.449 2.805 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000127005544 509158213 /nfs/dbraw/zinc/15/82/13/509158213.db2.gz QRMALJMVOLMRBS-JLSDUUJJSA-N 1 2 366.889 2.809 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000127005544 509158214 /nfs/dbraw/zinc/15/82/14/509158214.db2.gz QRMALJMVOLMRBS-JLSDUUJJSA-N 1 2 366.889 2.809 20 30 FFEDLO CCOC(=O)CC[C@H]1CCC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000162091215 509171977 /nfs/dbraw/zinc/17/19/77/509171977.db2.gz JPBBUYGRRAVHNO-OAHLLOKOSA-N 1 2 361.442 2.762 20 30 FFEDLO CCOC(=O)CC[C@H]1CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000162091215 509171978 /nfs/dbraw/zinc/17/19/78/509171978.db2.gz JPBBUYGRRAVHNO-OAHLLOKOSA-N 1 2 361.442 2.762 20 30 FFEDLO CC(C)CN(C(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1)C(C)C ZINC000121488576 509176450 /nfs/dbraw/zinc/17/64/50/509176450.db2.gz IAQWCYUHALZEKG-FQEVSTJZSA-N 1 2 356.514 2.762 20 30 FFEDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000182414693 509226836 /nfs/dbraw/zinc/22/68/36/509226836.db2.gz KTCOLYSAIVCVDS-UHFFFAOYSA-N 1 2 352.847 2.543 20 30 FFEDLO CN1CC[NH+](Cc2cccc(NC(=O)C3(c4ccc(C#N)cc4)CC3)c2)CC1 ZINC000188772069 509254773 /nfs/dbraw/zinc/25/47/73/509254773.db2.gz WFXUSEOECFFMSF-UHFFFAOYSA-N 1 2 374.488 2.976 20 30 FFEDLO C[C@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000216592974 509261701 /nfs/dbraw/zinc/26/17/01/509261701.db2.gz JNFUQFJYXXXBOY-PKOBYXMFSA-N 1 2 354.498 2.717 20 30 FFEDLO CN(CC[NH+]1CCOCC1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000264051754 509304728 /nfs/dbraw/zinc/30/47/28/509304728.db2.gz BCHCRDRQCLRFCD-UHFFFAOYSA-N 1 2 365.433 2.755 20 30 FFEDLO COc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)c(F)c3)CC2)cc1C#N ZINC000179198735 509315489 /nfs/dbraw/zinc/31/54/89/509315489.db2.gz JSBBMXHAMWZSJH-UHFFFAOYSA-N 1 2 367.424 2.972 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+]([C@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000264083460 509321160 /nfs/dbraw/zinc/32/11/60/509321160.db2.gz DWDNXLXARMIOCF-IBGZPJMESA-N 1 2 353.397 2.767 20 30 FFEDLO N#CCN1CCC[C@H](CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000267103691 509347420 /nfs/dbraw/zinc/34/74/20/509347420.db2.gz PCMGNRNAMCRGHL-MRXNPFEDSA-N 1 2 350.422 2.839 20 30 FFEDLO COc1cc(OC)cc(N2CC[C@H]([N@H+](C)CC#Cc3ccccc3)C2=O)c1 ZINC000192113430 509351213 /nfs/dbraw/zinc/35/12/13/509351213.db2.gz XNWLMEWPBOLBFV-NRFANRHFSA-N 1 2 364.445 2.793 20 30 FFEDLO COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)CC#Cc3ccccc3)C2=O)c1 ZINC000192113430 509351220 /nfs/dbraw/zinc/35/12/20/509351220.db2.gz XNWLMEWPBOLBFV-NRFANRHFSA-N 1 2 364.445 2.793 20 30 FFEDLO C[C@H](C#N)CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000182655807 509353578 /nfs/dbraw/zinc/35/35/78/509353578.db2.gz KLIOLPYAOVTIGV-DOMZBBRYSA-N 1 2 352.841 2.902 20 30 FFEDLO C[C@H](C#N)CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000182655807 509353582 /nfs/dbraw/zinc/35/35/82/509353582.db2.gz KLIOLPYAOVTIGV-DOMZBBRYSA-N 1 2 352.841 2.902 20 30 FFEDLO C=CC[C@H](CO)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000185809095 509365122 /nfs/dbraw/zinc/36/51/22/509365122.db2.gz CNPRXNWQTAOSMR-HZPDHXFCSA-N 1 2 367.287 2.639 20 30 FFEDLO C=CC[C@@H](CO)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000185809076 509365469 /nfs/dbraw/zinc/36/54/69/509365469.db2.gz CNPRXNWQTAOSMR-JKSUJKDBSA-N 1 2 367.287 2.639 20 30 FFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)CNc1cccc(C#N)c1 ZINC000163446860 509378372 /nfs/dbraw/zinc/37/83/72/509378372.db2.gz SJBKUIUCRBRFHM-UHFFFAOYSA-N 1 2 359.433 2.874 20 30 FFEDLO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2nnc3ccccn32)c(C#N)c1C ZINC000182730466 509397528 /nfs/dbraw/zinc/39/75/28/509397528.db2.gz YLQWZULCZOCTCD-NSHDSACASA-N 1 2 354.439 2.569 20 30 FFEDLO C[C@@H](c1cccc(NC(=O)COc2ccccc2C#N)c1)[NH+]1CCOCC1 ZINC000264246499 509408887 /nfs/dbraw/zinc/40/88/87/509408887.db2.gz OFMMNNAUPGFODJ-INIZCTEOSA-N 1 2 365.433 2.969 20 30 FFEDLO C[C@@H](c1cccc(NC(=O)COc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000264255348 509414488 /nfs/dbraw/zinc/41/44/88/509414488.db2.gz PINHPLAALYJFCD-INIZCTEOSA-N 1 2 365.433 2.969 20 30 FFEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(F)cc3C#N)CC2)n1 ZINC000267323285 509448258 /nfs/dbraw/zinc/44/82/58/509448258.db2.gz AOCNTACYYQRUMY-ZDUSSCGKSA-N 1 2 359.405 2.500 20 30 FFEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3ccc(F)cc3C#N)CC2)n1 ZINC000267323285 509448259 /nfs/dbraw/zinc/44/82/59/509448259.db2.gz AOCNTACYYQRUMY-ZDUSSCGKSA-N 1 2 359.405 2.500 20 30 FFEDLO CC1CCN(c2ccc(CNC(=O)Nc3ccn(CCC#N)n3)c[nH+]2)CC1 ZINC000173360541 509554206 /nfs/dbraw/zinc/55/42/06/509554206.db2.gz ZFQSCJOIVBSXJQ-UHFFFAOYSA-N 1 2 367.457 2.750 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000186191994 509568240 /nfs/dbraw/zinc/56/82/40/509568240.db2.gz HSCSOJIITJCUGJ-UHFFFAOYSA-N 1 2 352.459 2.879 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000186191994 509568249 /nfs/dbraw/zinc/56/82/49/509568249.db2.gz HSCSOJIITJCUGJ-UHFFFAOYSA-N 1 2 352.459 2.879 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000186283116 509621634 /nfs/dbraw/zinc/62/16/34/509621634.db2.gz VYPSWLOSDWPEIC-WIYYLYMNSA-N 1 2 365.477 2.677 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000249303777 509652350 /nfs/dbraw/zinc/65/23/50/509652350.db2.gz HZIXWCNKUTZXJW-ZBFHGGJFSA-N 1 2 351.406 2.657 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000249303777 509652358 /nfs/dbraw/zinc/65/23/58/509652358.db2.gz HZIXWCNKUTZXJW-ZBFHGGJFSA-N 1 2 351.406 2.657 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000249456965 509685290 /nfs/dbraw/zinc/68/52/90/509685290.db2.gz PSRLLRGUTMRXDL-IKGGRYGDSA-N 1 2 363.502 2.723 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+]1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000249456965 509685297 /nfs/dbraw/zinc/68/52/97/509685297.db2.gz PSRLLRGUTMRXDL-IKGGRYGDSA-N 1 2 363.502 2.723 20 30 FFEDLO Cc1nc(C2([NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CCCC2)no1 ZINC000179983414 509699244 /nfs/dbraw/zinc/69/92/44/509699244.db2.gz YMWUPMKTVAZVMC-KRWDZBQOSA-N 1 2 365.437 2.804 20 30 FFEDLO COc1cc2c(c(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)c1)O[C@@H](C)C2 ZINC000179985816 509699536 /nfs/dbraw/zinc/69/95/36/509699536.db2.gz WWQXTMQPRKZDCA-HNNXBMFYSA-N 1 2 364.449 2.607 20 30 FFEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]Cc1ccc(C#N)cc1F ZINC000237764554 509729959 /nfs/dbraw/zinc/72/99/59/509729959.db2.gz OXGCNBKAUXOTKG-UHFFFAOYSA-N 1 2 356.323 2.970 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000249762378 509756727 /nfs/dbraw/zinc/75/67/27/509756727.db2.gz XNOFWVGCJVMBSO-JTDSTZFVSA-N 1 2 373.497 2.675 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000249762378 509756733 /nfs/dbraw/zinc/75/67/33/509756733.db2.gz XNOFWVGCJVMBSO-JTDSTZFVSA-N 1 2 373.497 2.675 20 30 FFEDLO N#CCCN(CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)CC1CC1 ZINC000177029929 509828220 /nfs/dbraw/zinc/82/82/20/509828220.db2.gz JQLFTKUCPWVBPJ-UHFFFAOYSA-N 1 2 374.916 2.610 20 30 FFEDLO N#CCC[N@@H+](CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)CC1CC1 ZINC000177029929 509828223 /nfs/dbraw/zinc/82/82/23/509828223.db2.gz JQLFTKUCPWVBPJ-UHFFFAOYSA-N 1 2 374.916 2.610 20 30 FFEDLO N#CCC[N@H+](CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)CC1CC1 ZINC000177029929 509828227 /nfs/dbraw/zinc/82/82/27/509828227.db2.gz JQLFTKUCPWVBPJ-UHFFFAOYSA-N 1 2 374.916 2.610 20 30 FFEDLO CCC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)[C@H](C)C(=O)Nc1ccccc1 ZINC000245199102 509879546 /nfs/dbraw/zinc/87/95/46/509879546.db2.gz BBPMQYOYRNPWBJ-DLBZAZTESA-N 1 2 358.486 2.734 20 30 FFEDLO CCC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)[C@H](C)C(=O)Nc1ccccc1 ZINC000245199102 509879552 /nfs/dbraw/zinc/87/95/52/509879552.db2.gz BBPMQYOYRNPWBJ-DLBZAZTESA-N 1 2 358.486 2.734 20 30 FFEDLO FC(F)(F)c1ccc(C#CC[NH2+]Cc2cn(Cc3cccnc3)nn2)cc1 ZINC000183852417 510006035 /nfs/dbraw/zinc/00/60/35/510006035.db2.gz KUUYVRSKZISBTH-UHFFFAOYSA-N 1 2 371.366 2.882 20 30 FFEDLO Cn1cc(C(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)cn1 ZINC000187064276 510035139 /nfs/dbraw/zinc/03/51/39/510035139.db2.gz MYRIMTWCMDTAHB-UHFFFAOYSA-N 1 2 371.872 2.587 20 30 FFEDLO C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(N(C)CCOC)[nH+]c1 ZINC000190353588 510081147 /nfs/dbraw/zinc/08/11/47/510081147.db2.gz STMKSQDIWSHONR-LJQANCHMSA-N 1 2 352.438 2.917 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3cn4cc(Cl)ccc4n3)CC2)n1 ZINC000265581946 510125656 /nfs/dbraw/zinc/12/56/56/510125656.db2.gz WSCGGGGMQOSKNK-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO Cc1nc(N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)cc[nH+]1 ZINC000184154467 510163762 /nfs/dbraw/zinc/16/37/62/510163762.db2.gz ADBHQFWRBGDBQB-INIZCTEOSA-N 1 2 372.270 2.934 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190522857 510181992 /nfs/dbraw/zinc/18/19/92/510181992.db2.gz ZCVZYIDZFJWLOK-CQSZACIVSA-N 1 2 368.412 2.963 20 30 FFEDLO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)c1 ZINC000187426254 510259175 /nfs/dbraw/zinc/25/91/75/510259175.db2.gz CSIFCTUVUVSTPJ-GFCCVEGCSA-N 1 2 363.870 2.971 20 30 FFEDLO C[C@@]1(c2ccccc2)C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000246564761 510558796 /nfs/dbraw/zinc/55/87/96/510558796.db2.gz RLMYYIORHIYTLA-UNMCSNQZSA-N 1 2 361.445 2.911 20 30 FFEDLO C[C@@]1(c2ccccc2)C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000246564761 510558805 /nfs/dbraw/zinc/55/88/05/510558805.db2.gz RLMYYIORHIYTLA-UNMCSNQZSA-N 1 2 361.445 2.911 20 30 FFEDLO Cn1cc(C[NH+]2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)cc1C#N ZINC000191279000 510583773 /nfs/dbraw/zinc/58/37/73/510583773.db2.gz PEUVIGASRWVLSH-UHFFFAOYSA-N 1 2 368.872 2.516 20 30 FFEDLO N#Cc1ccc(F)c(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000175433970 510644891 /nfs/dbraw/zinc/64/48/91/510644891.db2.gz GDGUUHWCBWWBAF-UHFFFAOYSA-N 1 2 363.396 2.942 20 30 FFEDLO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000185179478 510731396 /nfs/dbraw/zinc/73/13/96/510731396.db2.gz RVGMHFFWMYYOTL-CQSZACIVSA-N 1 2 355.442 2.965 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1O ZINC000188381551 510739967 /nfs/dbraw/zinc/73/99/67/510739967.db2.gz PMQAEWOMUZBUNU-OAHLLOKOSA-N 1 2 371.387 2.936 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1O ZINC000188381551 510739970 /nfs/dbraw/zinc/73/99/70/510739970.db2.gz PMQAEWOMUZBUNU-OAHLLOKOSA-N 1 2 371.387 2.936 20 30 FFEDLO Cc1nc(C[NH+]2CCC(CNC(=O)c3ccc(C#N)c(O)c3)CC2)oc1C ZINC000188389137 510743714 /nfs/dbraw/zinc/74/37/14/510743714.db2.gz ZVKVMAJLFCNSDA-UHFFFAOYSA-N 1 2 368.437 2.511 20 30 FFEDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC000178811365 510785719 /nfs/dbraw/zinc/78/57/19/510785719.db2.gz HTRZCXZYXZLOHR-LJQANCHMSA-N 1 2 350.418 2.989 20 30 FFEDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC000178811365 510785723 /nfs/dbraw/zinc/78/57/23/510785723.db2.gz HTRZCXZYXZLOHR-LJQANCHMSA-N 1 2 350.418 2.989 20 30 FFEDLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000329903459 510874251 /nfs/dbraw/zinc/87/42/51/510874251.db2.gz IJIPUDAIOMSFCT-NPNMTCQASA-N 1 2 360.454 2.671 20 30 FFEDLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000329903459 510874256 /nfs/dbraw/zinc/87/42/56/510874256.db2.gz IJIPUDAIOMSFCT-NPNMTCQASA-N 1 2 360.454 2.671 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329914673 510875233 /nfs/dbraw/zinc/87/52/33/510875233.db2.gz PFTFKRPBRQQAJZ-DOHHPOSVSA-N 1 2 360.454 2.735 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329914673 510875236 /nfs/dbraw/zinc/87/52/36/510875236.db2.gz PFTFKRPBRQQAJZ-DOHHPOSVSA-N 1 2 360.454 2.735 20 30 FFEDLO N#CCOc1cccc(CC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000270469961 510880300 /nfs/dbraw/zinc/88/03/00/510880300.db2.gz UPTFHHGFCVEWEI-UHFFFAOYSA-N 1 2 364.449 2.833 20 30 FFEDLO COC(=O)c1cnoc1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285427097 510903310 /nfs/dbraw/zinc/90/33/10/510903310.db2.gz HBDDASJMIHOTPQ-UHFFFAOYSA-N 1 2 359.357 2.515 20 30 FFEDLO O=C(C[N@@H+]1CCO[C@@H](C2CC2)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330135439 510922926 /nfs/dbraw/zinc/92/29/26/510922926.db2.gz MUVQIWSDXCCTPP-SJFHUFEGSA-N 1 2 361.486 2.937 20 30 FFEDLO O=C(C[N@H+]1CCO[C@@H](C2CC2)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330135439 510922930 /nfs/dbraw/zinc/92/29/30/510922930.db2.gz MUVQIWSDXCCTPP-SJFHUFEGSA-N 1 2 361.486 2.937 20 30 FFEDLO CC(C)S(=O)(=O)CCC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285498490 510931424 /nfs/dbraw/zinc/93/14/24/510931424.db2.gz MYWJHMGINXZSMV-UHFFFAOYSA-N 1 2 368.474 2.754 20 30 FFEDLO O=C(N[C@H]1CCOC2(CCC2)C1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000330214830 510938837 /nfs/dbraw/zinc/93/88/37/510938837.db2.gz GMYUYERCNKHZRE-HNNXBMFYSA-N 1 2 364.515 2.667 20 30 FFEDLO O=C(N[C@H]1CCOC2(CCC2)C1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000330214830 510938843 /nfs/dbraw/zinc/93/88/43/510938843.db2.gz GMYUYERCNKHZRE-HNNXBMFYSA-N 1 2 364.515 2.667 20 30 FFEDLO O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330226318 510941487 /nfs/dbraw/zinc/94/14/87/510941487.db2.gz ORUNRUPWBNEZDF-QGPMSJSTSA-N 1 2 363.483 2.503 20 30 FFEDLO C=CC[C@@]1(C(=O)N(C)Cc2[nH+]ccn2C)CCCN1C(=O)OC(C)(C)C ZINC000276563734 510943123 /nfs/dbraw/zinc/94/31/23/510943123.db2.gz BUYKGHILAIFANM-IBGZPJMESA-N 1 2 362.474 2.724 20 30 FFEDLO C=CC[C@]1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000276644267 510944581 /nfs/dbraw/zinc/94/45/81/510944581.db2.gz XYZUBHRQRIAFCN-HNAYVOBHSA-N 1 2 362.474 2.734 20 30 FFEDLO O=C(C[N@@H+]1CCO[C@H]2CCC[C@H]21)NCC1(c2ccccc2)CCOCC1 ZINC000330274656 510954056 /nfs/dbraw/zinc/95/40/56/510954056.db2.gz KLSLERCSKJFDRP-MOPGFXCFSA-N 1 2 358.482 2.945 20 30 FFEDLO O=C(C[N@H+]1CCO[C@H]2CCC[C@H]21)NCC1(c2ccccc2)CCOCC1 ZINC000330274656 510954060 /nfs/dbraw/zinc/95/40/60/510954060.db2.gz KLSLERCSKJFDRP-MOPGFXCFSA-N 1 2 358.482 2.945 20 30 FFEDLO CC(C)(C)OC(=O)C1C[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000297474543 510959994 /nfs/dbraw/zinc/95/99/94/510959994.db2.gz RNCWGIGNIRHZPZ-UHFFFAOYSA-N 1 2 367.453 2.632 20 30 FFEDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000285578981 510964263 /nfs/dbraw/zinc/96/42/63/510964263.db2.gz KUCGASSQBVFKKK-INIZCTEOSA-N 1 2 369.425 2.709 20 30 FFEDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000285578981 510964268 /nfs/dbraw/zinc/96/42/68/510964268.db2.gz KUCGASSQBVFKKK-INIZCTEOSA-N 1 2 369.425 2.709 20 30 FFEDLO CCN1CCN(C(=O)N[C@H](c2ncc(C)s2)C2CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330326654 510964722 /nfs/dbraw/zinc/96/47/22/510964722.db2.gz KGACHPALSNPMBS-GJZGRUSLSA-N 1 2 374.514 2.919 20 30 FFEDLO CCN1CCN(C(=O)Nc2ccc(OC)c(Cl)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330353533 510972636 /nfs/dbraw/zinc/97/26/36/510972636.db2.gz OOMFLYVDLXZXLS-CQSZACIVSA-N 1 2 363.849 2.996 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)Nc2ccc3c(c2)C(=O)CCC3)CCO1 ZINC000330359458 510973340 /nfs/dbraw/zinc/97/33/40/510973340.db2.gz WAZCIXAXKNSZLC-DNVCBOLYSA-N 1 2 368.437 2.995 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)C(=O)CCC3)CCO1 ZINC000330359459 510973393 /nfs/dbraw/zinc/97/33/93/510973393.db2.gz WAZCIXAXKNSZLC-HNAYVOBHSA-N 1 2 368.437 2.995 20 30 FFEDLO CC(C)N(C[C@H](C)O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000330543900 510996181 /nfs/dbraw/zinc/99/61/81/510996181.db2.gz TZNUIHHFIXDRCJ-VUCTXSBTSA-N 1 2 355.429 2.715 20 30 FFEDLO CC(C)N(C[C@H](C)O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000330543900 510996184 /nfs/dbraw/zinc/99/61/84/510996184.db2.gz TZNUIHHFIXDRCJ-VUCTXSBTSA-N 1 2 355.429 2.715 20 30 FFEDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000330576604 511000823 /nfs/dbraw/zinc/00/08/23/511000823.db2.gz QRDPEJJRFFYVLN-UHFFFAOYSA-N 1 2 364.446 2.702 20 30 FFEDLO Cn1nccc1C1=CC[N@H+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000285682329 511007850 /nfs/dbraw/zinc/00/78/50/511007850.db2.gz RDKNOYVDSQKOAT-UHFFFAOYSA-N 1 2 367.478 2.764 20 30 FFEDLO Cn1nccc1C1=CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000285682329 511007854 /nfs/dbraw/zinc/00/78/54/511007854.db2.gz RDKNOYVDSQKOAT-UHFFFAOYSA-N 1 2 367.478 2.764 20 30 FFEDLO C=C[C@](C)(O)CC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000278904532 511013279 /nfs/dbraw/zinc/01/32/79/511013279.db2.gz QAXLOMOSSAIGII-NRFANRHFSA-N 1 2 351.450 2.588 20 30 FFEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000331115130 511043542 /nfs/dbraw/zinc/04/35/42/511043542.db2.gz LKVMIHMGXDOJJP-CHWSQXEVSA-N 1 2 365.783 2.778 20 30 FFEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000331115130 511043544 /nfs/dbraw/zinc/04/35/44/511043544.db2.gz LKVMIHMGXDOJJP-CHWSQXEVSA-N 1 2 365.783 2.778 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)CCCC1(C)C ZINC000297745449 511055126 /nfs/dbraw/zinc/05/51/26/511055126.db2.gz KWTJPKBEDUYZIT-KRWDZBQOSA-N 1 2 358.486 2.640 20 30 FFEDLO Cc1oc(C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1S(=O)(=O)N(C)C ZINC000331274594 511056175 /nfs/dbraw/zinc/05/61/75/511056175.db2.gz BNEYUNMBRXYMOT-UHFFFAOYSA-N 1 2 351.428 2.795 20 30 FFEDLO Cn1c(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)nc2ccc(Cl)cc21 ZINC000271026427 511060857 /nfs/dbraw/zinc/06/08/57/511060857.db2.gz DWVMZXSUDQRJBV-UHFFFAOYSA-N 1 2 366.856 2.816 20 30 FFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000331359544 511063911 /nfs/dbraw/zinc/06/39/11/511063911.db2.gz WPZLTUNQVMXPEV-GXFFZTMASA-N 1 2 369.206 2.512 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000331658083 511069538 /nfs/dbraw/zinc/06/95/38/511069538.db2.gz LTWINUYMUFLRFT-NVXWUHKLSA-N 1 2 372.517 2.792 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000331658083 511069542 /nfs/dbraw/zinc/06/95/42/511069542.db2.gz LTWINUYMUFLRFT-NVXWUHKLSA-N 1 2 372.517 2.792 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000331658087 511069738 /nfs/dbraw/zinc/06/97/38/511069738.db2.gz LTWINUYMUFLRFT-RDJZCZTQSA-N 1 2 372.517 2.792 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000331658087 511069740 /nfs/dbraw/zinc/06/97/40/511069740.db2.gz LTWINUYMUFLRFT-RDJZCZTQSA-N 1 2 372.517 2.792 20 30 FFEDLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000282712944 511083285 /nfs/dbraw/zinc/08/32/85/511083285.db2.gz KVIRWWUWCDONTA-FQEVSTJZSA-N 1 2 370.474 2.756 20 30 FFEDLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000282712944 511083288 /nfs/dbraw/zinc/08/32/88/511083288.db2.gz KVIRWWUWCDONTA-FQEVSTJZSA-N 1 2 370.474 2.756 20 30 FFEDLO C=CCC[C@H](NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000289354939 511099772 /nfs/dbraw/zinc/09/97/72/511099772.db2.gz LXIYYTKJBOBLFC-IBGZPJMESA-N 1 2 366.465 2.870 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+](C)Cc2nc(CCOC)no2)ccc1OC ZINC000271209995 511121694 /nfs/dbraw/zinc/12/16/94/511121694.db2.gz TYIYKJGACNKRPC-UHFFFAOYSA-N 1 2 361.442 2.854 20 30 FFEDLO C=C(C)COc1cc(C[N@H+](C)Cc2nc(CCOC)no2)ccc1OC ZINC000271209995 511121702 /nfs/dbraw/zinc/12/17/02/511121702.db2.gz TYIYKJGACNKRPC-UHFFFAOYSA-N 1 2 361.442 2.854 20 30 FFEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000290778501 511150451 /nfs/dbraw/zinc/15/04/51/511150451.db2.gz BYPYBUAYXLUJTK-NSHDSACASA-N 1 2 359.167 2.981 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)n1 ZINC000279726951 511190969 /nfs/dbraw/zinc/19/09/69/511190969.db2.gz MQKUYQRWGITLCW-IRXDYDNUSA-N 1 2 368.481 2.613 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)n1 ZINC000279726951 511190971 /nfs/dbraw/zinc/19/09/71/511190971.db2.gz MQKUYQRWGITLCW-IRXDYDNUSA-N 1 2 368.481 2.613 20 30 FFEDLO CCN(CCC#N)C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000280142634 511351321 /nfs/dbraw/zinc/35/13/21/511351321.db2.gz HELAVAQMFMTUQN-UHFFFAOYSA-N 1 2 352.394 2.883 20 30 FFEDLO Cc1nsc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1C#N ZINC000283560026 511414506 /nfs/dbraw/zinc/41/45/06/511414506.db2.gz NFQWHGQXUKFFFK-UHFFFAOYSA-N 1 2 355.467 2.838 20 30 FFEDLO C=C(C)Cn1c(C2CCC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000283721478 511475115 /nfs/dbraw/zinc/47/51/15/511475115.db2.gz XPAMIOOFATYAHM-UHFFFAOYSA-N 1 2 353.474 2.547 20 30 FFEDLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)sc1C ZINC000292159187 511488543 /nfs/dbraw/zinc/48/85/43/511488543.db2.gz KTNMUTAEVQVPGS-IUODEOHRSA-N 1 2 371.466 2.507 20 30 FFEDLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)sc1C ZINC000292159187 511488545 /nfs/dbraw/zinc/48/85/45/511488545.db2.gz KTNMUTAEVQVPGS-IUODEOHRSA-N 1 2 371.466 2.507 20 30 FFEDLO N#Cc1cccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1 ZINC000280561761 511512017 /nfs/dbraw/zinc/51/20/17/511512017.db2.gz FVHBGVFUFUMSKC-UXHICEINSA-N 1 2 362.433 2.675 20 30 FFEDLO N#Cc1cccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1 ZINC000280561761 511512021 /nfs/dbraw/zinc/51/20/21/511512021.db2.gz FVHBGVFUFUMSKC-UXHICEINSA-N 1 2 362.433 2.675 20 30 FFEDLO C[C@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@]2(CCOC2)O1 ZINC000280611980 511532295 /nfs/dbraw/zinc/53/22/95/511532295.db2.gz VZDZDPGNHLYXIC-HRAATJIYSA-N 1 2 367.449 2.617 20 30 FFEDLO C[C@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@]2(CCOC2)O1 ZINC000280611980 511532299 /nfs/dbraw/zinc/53/22/99/511532299.db2.gz VZDZDPGNHLYXIC-HRAATJIYSA-N 1 2 367.449 2.617 20 30 FFEDLO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000295876326 511542750 /nfs/dbraw/zinc/54/27/50/511542750.db2.gz GRDLMFSXALUFJE-RDJZCZTQSA-N 1 2 357.458 2.619 20 30 FFEDLO C[C@]12CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C[C@H]1C2(Cl)Cl ZINC000283942999 511551976 /nfs/dbraw/zinc/55/19/76/511551976.db2.gz AGUSGNLWDPVOEW-CABCVRRESA-N 1 2 373.305 2.848 20 30 FFEDLO C[C@]12CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C[C@H]1C2(Cl)Cl ZINC000283942999 511551980 /nfs/dbraw/zinc/55/19/80/511551980.db2.gz AGUSGNLWDPVOEW-CABCVRRESA-N 1 2 373.305 2.848 20 30 FFEDLO COc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c([N+](=O)[O-])cc1F ZINC000292375432 511572880 /nfs/dbraw/zinc/57/28/80/511572880.db2.gz YVXTZKYHTFEZFL-AWEZNQCLSA-N 1 2 372.356 2.662 20 30 FFEDLO COc1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c([N+](=O)[O-])cc1F ZINC000292375432 511572883 /nfs/dbraw/zinc/57/28/83/511572883.db2.gz YVXTZKYHTFEZFL-AWEZNQCLSA-N 1 2 372.356 2.662 20 30 FFEDLO Cc1cc(Br)cn2cc(CNC(=O)NCCCCC#N)[nH+]c12 ZINC000273749342 511596185 /nfs/dbraw/zinc/59/61/85/511596185.db2.gz VSMWSINYYOIUKD-UHFFFAOYSA-N 1 2 364.247 2.898 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000281014669 511688707 /nfs/dbraw/zinc/68/87/07/511688707.db2.gz NWQQVADWWMEFNN-YJBOKZPZSA-N 1 2 350.422 2.571 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000281014669 511688709 /nfs/dbraw/zinc/68/87/09/511688709.db2.gz NWQQVADWWMEFNN-YJBOKZPZSA-N 1 2 350.422 2.571 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000303624203 511744265 /nfs/dbraw/zinc/74/42/65/511744265.db2.gz NOMYGXHGSTXTIP-UHFFFAOYSA-N 1 2 366.446 2.590 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000363780234 511763794 /nfs/dbraw/zinc/76/37/94/511763794.db2.gz PXCUVIUXMLSDDY-SFHVURJKSA-N 1 2 350.422 2.750 20 30 FFEDLO CC(C)(C[NH+]1CCOCC1)Nc1cc(Br)c(C#N)cc1F ZINC000308665151 511768424 /nfs/dbraw/zinc/76/84/24/511768424.db2.gz SUVLSEAAJJWENY-UHFFFAOYSA-N 1 2 356.239 2.983 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000281301754 511796596 /nfs/dbraw/zinc/79/65/96/511796596.db2.gz HYTJLJFSHFCYRX-BEFAXECRSA-N 1 2 359.495 2.973 20 30 FFEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000281429069 511844761 /nfs/dbraw/zinc/84/47/61/511844761.db2.gz PDJVVWCZGRSDII-LJQANCHMSA-N 1 2 351.454 2.894 20 30 FFEDLO Cn1nccc1[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000281429069 511844766 /nfs/dbraw/zinc/84/47/66/511844766.db2.gz PDJVVWCZGRSDII-LJQANCHMSA-N 1 2 351.454 2.894 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1=O ZINC000281527654 511879395 /nfs/dbraw/zinc/87/93/95/511879395.db2.gz ZTOIQJCPXQJQMP-XJKSGUPXSA-N 1 2 358.417 2.964 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1=O ZINC000281527654 511879399 /nfs/dbraw/zinc/87/93/99/511879399.db2.gz ZTOIQJCPXQJQMP-XJKSGUPXSA-N 1 2 358.417 2.964 20 30 FFEDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1coc(C2CCCC2)n1 ZINC000328705060 511917662 /nfs/dbraw/zinc/91/76/62/511917662.db2.gz PCEKJQCLJVLOQZ-SFHVURJKSA-N 1 2 365.499 2.845 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H]1CCC[C@@H]1C ZINC000328731576 511922663 /nfs/dbraw/zinc/92/26/63/511922663.db2.gz WZDPVYHMDWNOMQ-JIRONKKISA-N 1 2 352.454 2.896 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H]1CCC[C@@H]1C ZINC000328731576 511922669 /nfs/dbraw/zinc/92/26/69/511922669.db2.gz WZDPVYHMDWNOMQ-JIRONKKISA-N 1 2 352.454 2.896 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CCCNC3=O)n2)C1 ZINC000328737195 511924305 /nfs/dbraw/zinc/92/43/05/511924305.db2.gz LPCPRQXKYAGCOC-YPMHNXCESA-N 1 2 351.476 2.820 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CCCNC3=O)n2)C1 ZINC000328737195 511924312 /nfs/dbraw/zinc/92/43/12/511924312.db2.gz LPCPRQXKYAGCOC-YPMHNXCESA-N 1 2 351.476 2.820 20 30 FFEDLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)N[C@H]1CCCc2ccccc21 ZINC000328963972 511956996 /nfs/dbraw/zinc/95/69/96/511956996.db2.gz LQMRTUPJTDPJOR-HAGHYFMRSA-N 1 2 358.482 2.882 20 30 FFEDLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)N[C@H]1CCCc2ccccc21 ZINC000328963972 511957005 /nfs/dbraw/zinc/95/70/05/511957005.db2.gz LQMRTUPJTDPJOR-HAGHYFMRSA-N 1 2 358.482 2.882 20 30 FFEDLO Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000328961023 511957632 /nfs/dbraw/zinc/95/76/32/511957632.db2.gz PVUYYVYDOUUMAB-CRAIPNDOSA-N 1 2 357.458 2.620 20 30 FFEDLO Cc1noc([C@@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)C2CCOCC2)n1 ZINC000328979911 511960436 /nfs/dbraw/zinc/96/04/36/511960436.db2.gz RFRPCWFRFVYXNC-INIZCTEOSA-N 1 2 361.446 2.618 20 30 FFEDLO O=C(C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)Nc1nc2c(s1)CCC2 ZINC000329015673 511967798 /nfs/dbraw/zinc/96/77/98/511967798.db2.gz GEJPMOHYDGPTKX-LLVKDONJSA-N 1 2 359.455 2.970 20 30 FFEDLO O=C(C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)Nc1nc2c(s1)CCC2 ZINC000329015673 511967804 /nfs/dbraw/zinc/96/78/04/511967804.db2.gz GEJPMOHYDGPTKX-LLVKDONJSA-N 1 2 359.455 2.970 20 30 FFEDLO CC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)CCO1 ZINC000329015162 511967870 /nfs/dbraw/zinc/96/78/70/511967870.db2.gz JSGCWYDQCQRUHL-GKDNMFGBSA-N 1 2 374.485 2.776 20 30 FFEDLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329040879 511972327 /nfs/dbraw/zinc/97/23/27/511972327.db2.gz ICJZXWJWQOFCMP-BMHLXIAXSA-N 1 2 372.469 2.576 20 30 FFEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)sc1C ZINC000329169772 511997113 /nfs/dbraw/zinc/99/71/13/511997113.db2.gz JSTOEPIWTVAOPM-WHOFXGATSA-N 1 2 352.504 2.531 20 30 FFEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)sc1C ZINC000329169772 511997115 /nfs/dbraw/zinc/99/71/15/511997115.db2.gz JSTOEPIWTVAOPM-WHOFXGATSA-N 1 2 352.504 2.531 20 30 FFEDLO Cc1nc(NC(=O)[C@H](C)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)sc1C ZINC000329169772 511997117 /nfs/dbraw/zinc/99/71/17/511997117.db2.gz JSTOEPIWTVAOPM-WHOFXGATSA-N 1 2 352.504 2.531 20 30 FFEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)sc1C ZINC000329169770 511997477 /nfs/dbraw/zinc/99/74/77/511997477.db2.gz JSTOEPIWTVAOPM-CORIIIEPSA-N 1 2 352.504 2.531 20 30 FFEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)sc1C ZINC000329169770 511997482 /nfs/dbraw/zinc/99/74/82/511997482.db2.gz JSTOEPIWTVAOPM-CORIIIEPSA-N 1 2 352.504 2.531 20 30 FFEDLO Cc1nc(NC(=O)[C@H](C)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)sc1C ZINC000329169770 511997487 /nfs/dbraw/zinc/99/74/87/511997487.db2.gz JSTOEPIWTVAOPM-CORIIIEPSA-N 1 2 352.504 2.531 20 30 FFEDLO C=CCCCS(=O)(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000293532384 511999583 /nfs/dbraw/zinc/99/95/83/511999583.db2.gz UDXUMJQQYOYUFX-UHFFFAOYSA-N 1 2 351.516 2.916 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3C[C@@H]4CC[C@H](O)[C@@H]4C3)n2)C1 ZINC000329329933 512028175 /nfs/dbraw/zinc/02/81/75/512028175.db2.gz LHBDTNVZJPYFDQ-CLWVCHIJSA-N 1 2 364.515 2.623 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3C[C@@H]4CC[C@H](O)[C@@H]4C3)n2)C1 ZINC000329329933 512028180 /nfs/dbraw/zinc/02/81/80/512028180.db2.gz LHBDTNVZJPYFDQ-CLWVCHIJSA-N 1 2 364.515 2.623 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2nc(C3CCOCC3)cs2)C1 ZINC000329435545 512046133 /nfs/dbraw/zinc/04/61/33/512046133.db2.gz LNQXGFFDIYFUHW-CYBMUJFWSA-N 1 2 361.471 2.806 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccn(-c4cccc(C#N)c4)n3)n2)C1 ZINC000282016171 512046974 /nfs/dbraw/zinc/04/69/74/512046974.db2.gz YFRFOTUMRMOQGE-KRWDZBQOSA-N 1 2 364.409 2.576 20 30 FFEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccn(-c4cccc(C#N)c4)n3)n2)C1 ZINC000282016171 512046980 /nfs/dbraw/zinc/04/69/80/512046980.db2.gz YFRFOTUMRMOQGE-KRWDZBQOSA-N 1 2 364.409 2.576 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000329492527 512057186 /nfs/dbraw/zinc/05/71/86/512057186.db2.gz UABPVCPTVFHGSL-SQNIBIBYSA-N 1 2 365.518 2.577 20 30 FFEDLO Cn1nc2c(c1CNC(=O)c1ccccc1C[NH+]1CCOCC1)CCCC2 ZINC000329724898 512090925 /nfs/dbraw/zinc/09/09/25/512090925.db2.gz GBMSQHXIHIATGX-UHFFFAOYSA-N 1 2 368.481 2.636 20 30 FFEDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329765196 512094794 /nfs/dbraw/zinc/09/47/94/512094794.db2.gz WRTNRHXVPWKEEM-KSZLIROESA-N 1 2 358.486 2.579 20 30 FFEDLO Cc1nc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1-c1ccccc1 ZINC000329777149 512096147 /nfs/dbraw/zinc/09/61/47/512096147.db2.gz KIKZLXOBQAAJFE-QZTJIDSGSA-N 1 2 352.438 2.617 20 30 FFEDLO Cc1nc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)ccc1-c1ccccc1 ZINC000329777149 512096149 /nfs/dbraw/zinc/09/61/49/512096149.db2.gz KIKZLXOBQAAJFE-QZTJIDSGSA-N 1 2 352.438 2.617 20 30 FFEDLO Cc1ccn2cc(CNC(=O)N3CCN(c4cccs4)CC3)[nH+]c2c1 ZINC000329796309 512098395 /nfs/dbraw/zinc/09/83/95/512098395.db2.gz DRDQFSDBFYVALZ-UHFFFAOYSA-N 1 2 355.467 2.940 20 30 FFEDLO Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329820749 512100969 /nfs/dbraw/zinc/10/09/69/512100969.db2.gz YIXPXELOVNVKQE-CQSZACIVSA-N 1 2 359.474 2.881 20 30 FFEDLO CCN1CCN(C(=O)NCCc2cc(C)c(O)c(C)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329849575 512103866 /nfs/dbraw/zinc/10/38/66/512103866.db2.gz NUUZDFQDHAHKIQ-QGZVFWFLSA-N 1 2 371.485 2.567 20 30 FFEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2C[C@H]3CC[C@@H](C2)O3)C[C@@H](C)O1 ZINC000329851915 512104071 /nfs/dbraw/zinc/10/40/71/512104071.db2.gz UFIFXUANOGEQKQ-AHCXZYCDSA-N 1 2 359.470 2.705 20 30 FFEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000373954568 512591375 /nfs/dbraw/zinc/59/13/75/512591375.db2.gz PXDBIOQWFFCISU-UHFFFAOYSA-N 1 2 368.481 2.611 20 30 FFEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000373954568 512591377 /nfs/dbraw/zinc/59/13/77/512591377.db2.gz PXDBIOQWFFCISU-UHFFFAOYSA-N 1 2 368.481 2.611 20 30 FFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)o2)[C@H]1c1ccc(Cl)cc1 ZINC000367874784 512701317 /nfs/dbraw/zinc/70/13/17/512701317.db2.gz PYHSXRMQGBIWLG-GOEBONIOSA-N 1 2 365.842 2.528 20 30 FFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)o2)[C@H]1c1ccc(Cl)cc1 ZINC000367874784 512701320 /nfs/dbraw/zinc/70/13/20/512701320.db2.gz PYHSXRMQGBIWLG-GOEBONIOSA-N 1 2 365.842 2.528 20 30 FFEDLO Cc1noc(C2(C)CC[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)n1 ZINC000367982568 512751010 /nfs/dbraw/zinc/75/10/10/512751010.db2.gz NADQISOXSDRDQZ-UHFFFAOYSA-N 1 2 373.844 2.895 20 30 FFEDLO COc1ccccc1[C@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC[NH2+]1 ZINC000374379023 512802010 /nfs/dbraw/zinc/80/20/10/512802010.db2.gz UYFZOXPNBZHDCI-CRAIPNDOSA-N 1 2 365.433 2.507 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411872421 512852476 /nfs/dbraw/zinc/85/24/76/512852476.db2.gz JSVBAEPZJRSZHB-JXFKEZNVSA-N 1 2 371.481 2.831 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411872421 512852478 /nfs/dbraw/zinc/85/24/78/512852478.db2.gz JSVBAEPZJRSZHB-JXFKEZNVSA-N 1 2 371.481 2.831 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411872424 512852551 /nfs/dbraw/zinc/85/25/51/512852551.db2.gz JSVBAEPZJRSZHB-UZLBHIALSA-N 1 2 371.481 2.831 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411872424 512852553 /nfs/dbraw/zinc/85/25/53/512852553.db2.gz JSVBAEPZJRSZHB-UZLBHIALSA-N 1 2 371.481 2.831 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)CCC2 ZINC000370437937 512933777 /nfs/dbraw/zinc/93/37/77/512933777.db2.gz DHSPQOOOBJDWMP-CYBMUJFWSA-N 1 2 364.858 2.573 20 30 FFEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000376720903 512957667 /nfs/dbraw/zinc/95/76/67/512957667.db2.gz HIGAVMLCLRYZBM-IBGZPJMESA-N 1 2 359.433 2.701 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)Nc2ccc(Cl)cn2)CC1 ZINC000376739878 512966266 /nfs/dbraw/zinc/96/62/66/512966266.db2.gz NMYOVVHQADCMHR-UHFFFAOYSA-N 1 2 355.829 2.626 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374859173 513042140 /nfs/dbraw/zinc/04/21/40/513042140.db2.gz SMNOXPHMVBSEJV-LJQANCHMSA-N 1 2 373.815 2.883 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374859173 513042145 /nfs/dbraw/zinc/04/21/45/513042145.db2.gz SMNOXPHMVBSEJV-LJQANCHMSA-N 1 2 373.815 2.883 20 30 FFEDLO C=CCSc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000412377457 513057546 /nfs/dbraw/zinc/05/75/46/513057546.db2.gz YJZRNKVBMGWPKF-HNNXBMFYSA-N 1 2 362.495 2.580 20 30 FFEDLO C=CCSc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000412377457 513057548 /nfs/dbraw/zinc/05/75/48/513057548.db2.gz YJZRNKVBMGWPKF-HNNXBMFYSA-N 1 2 362.495 2.580 20 30 FFEDLO N#Cc1ccc(C(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)cc1 ZINC000368699599 513066462 /nfs/dbraw/zinc/06/64/62/513066462.db2.gz FPBVKBLOLCLCFY-UHFFFAOYSA-N 1 2 360.339 2.934 20 30 FFEDLO C[C@H](C#N)CN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000372841009 513068824 /nfs/dbraw/zinc/06/88/24/513068824.db2.gz LWKMAOLZCZLOHA-KBRIMQKVSA-N 1 2 364.877 2.513 20 30 FFEDLO C[C@H](C#N)CN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000372841009 513068829 /nfs/dbraw/zinc/06/88/29/513068829.db2.gz LWKMAOLZCZLOHA-KBRIMQKVSA-N 1 2 364.877 2.513 20 30 FFEDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000368844531 513119888 /nfs/dbraw/zinc/11/98/88/513119888.db2.gz NQYAUEOEMIZPCS-KSSFIOAISA-N 1 2 368.437 2.781 20 30 FFEDLO Cc1noc(C)c1CO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000368844531 513119890 /nfs/dbraw/zinc/11/98/90/513119890.db2.gz NQYAUEOEMIZPCS-KSSFIOAISA-N 1 2 368.437 2.781 20 30 FFEDLO COC(=O)[C@@H](c1ccccc1C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428778030 513188593 /nfs/dbraw/zinc/18/85/93/513188593.db2.gz HXMXNWMYMRMMIX-VQIMIIECSA-N 1 2 351.406 2.629 20 30 FFEDLO COC(=O)[C@@H](c1ccccc1C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428778030 513188597 /nfs/dbraw/zinc/18/85/97/513188597.db2.gz HXMXNWMYMRMMIX-VQIMIIECSA-N 1 2 351.406 2.629 20 30 FFEDLO Cc1c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc(C#N)c1C#N ZINC000421559089 513307346 /nfs/dbraw/zinc/30/73/46/513307346.db2.gz NSUZTMHAROQLNZ-HXUWFJFHSA-N 1 2 360.417 2.578 20 30 FFEDLO Cc1c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc(C#N)c1C#N ZINC000421559089 513307349 /nfs/dbraw/zinc/30/73/49/513307349.db2.gz NSUZTMHAROQLNZ-HXUWFJFHSA-N 1 2 360.417 2.578 20 30 FFEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429439479 513377353 /nfs/dbraw/zinc/37/73/53/513377353.db2.gz ALBDQBKVICKEGH-LJQANCHMSA-N 1 2 357.417 2.814 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC(C3N=NC(=O)O3)CC2)c(OC(F)F)c1 ZINC000450919903 513405511 /nfs/dbraw/zinc/40/55/11/513405511.db2.gz QWAZKSQYKLUHGT-UHFFFAOYSA-N 1 2 350.325 2.628 20 30 FFEDLO Cc1cc(NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)c(C#N)c[nH+]1 ZINC000425214657 513456627 /nfs/dbraw/zinc/45/66/27/513456627.db2.gz KGVYHRLWSWAFOC-LJQANCHMSA-N 1 2 356.857 2.822 20 30 FFEDLO C[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)Cn1cc[nH+]c1 ZINC000429908035 513495543 /nfs/dbraw/zinc/49/55/43/513495543.db2.gz ZGAPQZKZBMQUMU-MRXNPFEDSA-N 1 2 362.437 2.726 20 30 FFEDLO CC(C)n1c[nH+]cc1CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000425320131 513508766 /nfs/dbraw/zinc/50/87/66/513508766.db2.gz BXKYVJYCQZFSLK-UHFFFAOYSA-N 1 2 366.425 2.906 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccccc1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435125326 513518445 /nfs/dbraw/zinc/51/84/45/513518445.db2.gz WIMDEIIKQKRNOK-UHFFFAOYSA-N 1 2 374.448 2.929 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccccc1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435125326 513518453 /nfs/dbraw/zinc/51/84/53/513518453.db2.gz WIMDEIIKQKRNOK-UHFFFAOYSA-N 1 2 374.448 2.929 20 30 FFEDLO CCO[C@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2sccc2C#N)n1 ZINC000441372432 513553966 /nfs/dbraw/zinc/55/39/66/513553966.db2.gz BWEFNAORHMVXSX-LLVKDONJSA-N 1 2 363.443 2.561 20 30 FFEDLO CCO[C@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2sccc2C#N)n1 ZINC000441372432 513553970 /nfs/dbraw/zinc/55/39/70/513553970.db2.gz BWEFNAORHMVXSX-LLVKDONJSA-N 1 2 363.443 2.561 20 30 FFEDLO Cc1ccc([C@H](CNS(=O)(=O)c2ccc(C#N)s2)[NH+]2CCCC2)o1 ZINC000435421551 513578524 /nfs/dbraw/zinc/57/85/24/513578524.db2.gz JZNSTBYKGGWRAE-AWEZNQCLSA-N 1 2 365.480 2.637 20 30 FFEDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)c3cccc(C)c3C#N)CC2)c1 ZINC000441599081 513598182 /nfs/dbraw/zinc/59/81/82/513598182.db2.gz NKZFDROTKDMDLR-UHFFFAOYSA-N 1 2 369.490 2.682 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425556258 513638355 /nfs/dbraw/zinc/63/83/55/513638355.db2.gz ZVNQPPOGZRPSQR-KGLIPLIRSA-N 1 2 370.482 2.627 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425556258 513638361 /nfs/dbraw/zinc/63/83/61/513638361.db2.gz ZVNQPPOGZRPSQR-KGLIPLIRSA-N 1 2 370.482 2.627 20 30 FFEDLO N#CCC1(CNC(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CC1 ZINC000430374346 513638424 /nfs/dbraw/zinc/63/84/24/513638424.db2.gz HKEGLRNXLGLLBP-UHFFFAOYSA-N 1 2 350.378 2.622 20 30 FFEDLO CC(=O)c1ccc(C#N)c(N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c1 ZINC000418950742 513701174 /nfs/dbraw/zinc/70/11/74/513701174.db2.gz RDECPTKJMNPFFA-HXUWFJFHSA-N 1 2 357.454 2.661 20 30 FFEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000413571250 513719360 /nfs/dbraw/zinc/71/93/60/513719360.db2.gz HJACUQMZGOQOFJ-SFHVURJKSA-N 1 2 358.486 2.832 20 30 FFEDLO CCC[N@H+]([C@@H](C)C(=O)OCC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000448511367 513770766 /nfs/dbraw/zinc/77/07/66/513770766.db2.gz TWLPMKXRGXZNCX-MAUKXSAKSA-N 1 2 357.454 2.717 20 30 FFEDLO CCC[N@@H+]([C@@H](C)C(=O)OCC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000448511367 513770775 /nfs/dbraw/zinc/77/07/75/513770775.db2.gz TWLPMKXRGXZNCX-MAUKXSAKSA-N 1 2 357.454 2.717 20 30 FFEDLO C=CCOc1ccccc1C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442820418 513787959 /nfs/dbraw/zinc/78/79/59/513787959.db2.gz SKGPVBHBPPYPBD-OAQYLSRUSA-N 1 2 374.481 2.787 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000413832989 513837734 /nfs/dbraw/zinc/83/77/34/513837734.db2.gz JPODEBPLMJUJAO-RBUKOAKNSA-N 1 2 367.497 2.985 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000413836138 513840078 /nfs/dbraw/zinc/84/00/78/513840078.db2.gz OPIBWNFUPQRDBU-VQTJNVASSA-N 1 2 357.498 2.680 20 30 FFEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000443010115 513841153 /nfs/dbraw/zinc/84/11/53/513841153.db2.gz AOKQGEDHCLAWOW-UHFFFAOYSA-N 1 2 372.837 2.876 20 30 FFEDLO N#Cc1cccc(C#N)c1NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000436388574 513842006 /nfs/dbraw/zinc/84/20/06/513842006.db2.gz KUJBBZBTMQPKIM-UHFFFAOYSA-N 1 2 365.481 2.566 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCC1(C#N)CCC1 ZINC000419626585 513864697 /nfs/dbraw/zinc/86/46/97/513864697.db2.gz NATCLKUELDHMPL-GOSISDBHSA-N 1 2 370.497 2.613 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3C[C@H]4CC[C@@H](C3)C4=O)CC2)cc1 ZINC000431494657 513911827 /nfs/dbraw/zinc/91/18/27/513911827.db2.gz MAXWWSYHXBYZPM-YOFSQIOKSA-N 1 2 365.477 2.598 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3C[C@H]4CC[C@@H](C3)C4=O)CC2)cc1 ZINC000431494657 513911834 /nfs/dbraw/zinc/91/18/34/513911834.db2.gz MAXWWSYHXBYZPM-YOFSQIOKSA-N 1 2 365.477 2.598 20 30 FFEDLO N#Cc1ccc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)cc1O ZINC000443346166 513945131 /nfs/dbraw/zinc/94/51/31/513945131.db2.gz VPQVPVDJHISKKI-UHFFFAOYSA-N 1 2 371.194 2.604 20 30 FFEDLO Cc1ccc(C(=O)Nc2ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc2)cc1 ZINC000414139263 513985873 /nfs/dbraw/zinc/98/58/73/513985873.db2.gz JEIQIOIGCIJGPC-LJQANCHMSA-N 1 2 367.449 2.833 20 30 FFEDLO Cc1ccc(C(=O)Nc2ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc2)cc1 ZINC000414139263 513985876 /nfs/dbraw/zinc/98/58/76/513985876.db2.gz JEIQIOIGCIJGPC-LJQANCHMSA-N 1 2 367.449 2.833 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] ZINC000414152526 513991760 /nfs/dbraw/zinc/99/17/60/513991760.db2.gz QVSAAXJJZSZNRY-SFHVURJKSA-N 1 2 369.421 2.771 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] ZINC000414152526 513991767 /nfs/dbraw/zinc/99/17/67/513991767.db2.gz QVSAAXJJZSZNRY-SFHVURJKSA-N 1 2 369.421 2.771 20 30 FFEDLO Cn1c(C#N)ccc1C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000448958181 513994342 /nfs/dbraw/zinc/99/43/42/513994342.db2.gz WBGDMNSITPWJPX-CYBMUJFWSA-N 1 2 358.392 2.569 20 30 FFEDLO Cn1c(C#N)ccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000448958181 513994348 /nfs/dbraw/zinc/99/43/48/513994348.db2.gz WBGDMNSITPWJPX-CYBMUJFWSA-N 1 2 358.392 2.569 20 30 FFEDLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000432289539 514149634 /nfs/dbraw/zinc/14/96/34/514149634.db2.gz PUKAOYNGQAFOOU-QGZVFWFLSA-N 1 2 352.419 2.691 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000437636897 514200370 /nfs/dbraw/zinc/20/03/70/514200370.db2.gz UPMJLVZNGXFBNR-HXUWFJFHSA-N 1 2 360.502 2.786 20 30 FFEDLO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000427704922 514289318 /nfs/dbraw/zinc/28/93/18/514289318.db2.gz GJMFTTFLFPSULZ-VQIMIIECSA-N 1 2 371.481 2.585 20 30 FFEDLO C=CCC[C@@H](C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000427751092 514301251 /nfs/dbraw/zinc/30/12/51/514301251.db2.gz AANSVJHOVWNFBB-NHCUHLMSSA-N 1 2 372.509 2.686 20 30 FFEDLO NC(=O)c1ccc(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)cc1 ZINC000438091783 514304370 /nfs/dbraw/zinc/30/43/70/514304370.db2.gz GSIZPOBQTKJLHM-UHFFFAOYSA-N 1 2 353.853 2.613 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420944599 514392662 /nfs/dbraw/zinc/39/26/62/514392662.db2.gz JMJPPPJWAOHKOL-AWEZNQCLSA-N 1 2 360.401 2.996 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420944599 514392670 /nfs/dbraw/zinc/39/26/70/514392670.db2.gz JMJPPPJWAOHKOL-AWEZNQCLSA-N 1 2 360.401 2.996 20 30 FFEDLO C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449914620 514421507 /nfs/dbraw/zinc/42/15/07/514421507.db2.gz MIUUSHMTFOBPTI-SCLBCKFNSA-N 1 2 353.382 2.983 20 30 FFEDLO CN(C(=O)C[NH+]1CCN(Cc2cccc(F)c2C#N)CC1)C1CCCCC1 ZINC000428217797 514424388 /nfs/dbraw/zinc/42/43/88/514424388.db2.gz KVJHTVVWIFELNQ-UHFFFAOYSA-N 1 2 372.488 2.606 20 30 FFEDLO COc1ccc2c(c1)OC(C)(C)C[N@H+]([C@@H](C(N)=O)c1ccc(C#N)cc1)C2 ZINC000421033611 514450420 /nfs/dbraw/zinc/45/04/20/514450420.db2.gz GBSNOLUHXFTGFM-LJQANCHMSA-N 1 2 365.433 2.766 20 30 FFEDLO COc1ccc2c(c1)OC(C)(C)C[N@@H+]([C@@H](C(N)=O)c1ccc(C#N)cc1)C2 ZINC000421033611 514450425 /nfs/dbraw/zinc/45/04/25/514450425.db2.gz GBSNOLUHXFTGFM-LJQANCHMSA-N 1 2 365.433 2.766 20 30 FFEDLO N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000428340656 514452264 /nfs/dbraw/zinc/45/22/64/514452264.db2.gz KQTRZCBYAGQIBQ-INIZCTEOSA-N 1 2 362.389 2.672 20 30 FFEDLO C=CCc1cc(CNc2[nH+]cnc(-n3cccn3)c2N)cc(OC)c1OC ZINC000439114910 514496025 /nfs/dbraw/zinc/49/60/25/514496025.db2.gz MORZEKLPSLRVTD-UHFFFAOYSA-N 1 2 366.425 2.602 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC(C)(C)[C@H]1c1nccn1C ZINC000453025567 514514169 /nfs/dbraw/zinc/51/41/69/514514169.db2.gz UMHTWWIWBFZEPP-IEBWSBKVSA-N 1 2 355.482 2.971 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC(C)(C)[C@H]1c1nccn1C ZINC000453025567 514514179 /nfs/dbraw/zinc/51/41/79/514514179.db2.gz UMHTWWIWBFZEPP-IEBWSBKVSA-N 1 2 355.482 2.971 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)CN1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000453025567 514514187 /nfs/dbraw/zinc/51/41/87/514514187.db2.gz UMHTWWIWBFZEPP-IEBWSBKVSA-N 1 2 355.482 2.971 20 30 FFEDLO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1nc(-c2nc[nH]n2)no1 ZINC000439431429 514550451 /nfs/dbraw/zinc/55/04/51/514550451.db2.gz QIHJJUHPXAUDLI-ZDUSSCGKSA-N 1 2 357.805 2.867 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000470712847 514582935 /nfs/dbraw/zinc/58/29/35/514582935.db2.gz FVVGENUIKAFRTM-NRFANRHFSA-N 1 2 358.445 2.585 20 30 FFEDLO Cc1cc(C)c(CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c[nH+]1 ZINC000455552497 514586633 /nfs/dbraw/zinc/58/66/33/514586633.db2.gz BOZJVPSOKMUCEP-LJQANCHMSA-N 1 2 350.422 2.853 20 30 FFEDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCO1 ZINC000488895964 514624985 /nfs/dbraw/zinc/62/49/85/514624985.db2.gz FNXFXHZSXPIOER-QGZVFWFLSA-N 1 2 360.458 2.578 20 30 FFEDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCO1 ZINC000488895964 514624994 /nfs/dbraw/zinc/62/49/94/514624994.db2.gz FNXFXHZSXPIOER-QGZVFWFLSA-N 1 2 360.458 2.578 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000488908554 514631618 /nfs/dbraw/zinc/63/16/18/514631618.db2.gz LYHMKTIUCJFDAO-KRWDZBQOSA-N 1 2 366.465 2.963 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c(Cl)c1 ZINC000508086045 514662559 /nfs/dbraw/zinc/66/25/59/514662559.db2.gz RAKYLECEPRNGKI-UHFFFAOYSA-N 1 2 373.825 2.652 20 30 FFEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000470995509 514709378 /nfs/dbraw/zinc/70/93/78/514709378.db2.gz PHVMCZLEBROEES-BEFAXECRSA-N 1 2 374.916 2.970 20 30 FFEDLO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471017552 514719567 /nfs/dbraw/zinc/71/95/67/514719567.db2.gz FJDHMUJQKNAFLT-DAYGRLMNSA-N 1 2 362.905 2.825 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)ccc1[N+](=O)[O-] ZINC000489229448 514761494 /nfs/dbraw/zinc/76/14/94/514761494.db2.gz DXPWNGIDGMPVDZ-UHFFFAOYSA-N 1 2 352.394 2.797 20 30 FFEDLO C=CCn1c(CCc2ccco2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000508476537 514790151 /nfs/dbraw/zinc/79/01/51/514790151.db2.gz FFRJLVBHPQDXNN-UHFFFAOYSA-N 1 2 364.453 2.564 20 30 FFEDLO N#Cc1ccc(OC2CN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)C2)cc1 ZINC000461994493 514822140 /nfs/dbraw/zinc/82/21/40/514822140.db2.gz NVHWVODNCIUGEJ-UHFFFAOYSA-N 1 2 373.416 2.717 20 30 FFEDLO COCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1scnc1C ZINC000489406089 514832996 /nfs/dbraw/zinc/83/29/96/514832996.db2.gz RGEAMFRYOZZAEC-UHFFFAOYSA-N 1 2 364.515 2.585 20 30 FFEDLO COCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1scnc1C ZINC000489406089 514833007 /nfs/dbraw/zinc/83/30/07/514833007.db2.gz RGEAMFRYOZZAEC-UHFFFAOYSA-N 1 2 364.515 2.585 20 30 FFEDLO C=C[C@H]1CCCC[N@H+]1CCCS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000489417802 514839086 /nfs/dbraw/zinc/83/90/86/514839086.db2.gz XTVYESAWIQTPEX-KRWDZBQOSA-N 1 2 350.484 2.849 20 30 FFEDLO C=C[C@H]1CCCC[N@@H+]1CCCS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000489417802 514839094 /nfs/dbraw/zinc/83/90/94/514839094.db2.gz XTVYESAWIQTPEX-KRWDZBQOSA-N 1 2 350.484 2.849 20 30 FFEDLO C=CCn1c(-c2ccc(Cl)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000508828023 514908326 /nfs/dbraw/zinc/90/83/26/514908326.db2.gz NZHCVLSSGPJGHV-UHFFFAOYSA-N 1 2 361.877 2.553 20 30 FFEDLO N#Cc1cc(F)c(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)c(F)c1 ZINC000467138619 514914081 /nfs/dbraw/zinc/91/40/81/514914081.db2.gz WSWKSHIOXQVVGZ-UHFFFAOYSA-N 1 2 374.372 2.501 20 30 FFEDLO COc1ccc(F)c(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000509094444 515019787 /nfs/dbraw/zinc/01/97/87/515019787.db2.gz LKQWAXOJZJZCMO-JLTOFOAXSA-N 1 2 351.381 2.680 20 30 FFEDLO COc1ccc(F)c(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000509094444 515019795 /nfs/dbraw/zinc/01/97/95/515019795.db2.gz LKQWAXOJZJZCMO-JLTOFOAXSA-N 1 2 351.381 2.680 20 30 FFEDLO CN(Cc1cccc(C#N)c1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472364216 515247127 /nfs/dbraw/zinc/24/71/27/515247127.db2.gz MKKHMDYGKIZPLG-UHFFFAOYSA-N 1 2 366.421 2.935 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000481240697 515259950 /nfs/dbraw/zinc/25/99/50/515259950.db2.gz SDWJCARQUBSDGM-IERDGZPVSA-N 1 2 365.481 2.673 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000477062915 515311522 /nfs/dbraw/zinc/31/15/22/515311522.db2.gz SSLIPRNOXHNTKQ-GUYCJALGSA-N 1 2 353.413 2.602 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000477062915 515311530 /nfs/dbraw/zinc/31/15/30/515311530.db2.gz SSLIPRNOXHNTKQ-GUYCJALGSA-N 1 2 353.413 2.602 20 30 FFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000481419754 515322249 /nfs/dbraw/zinc/32/22/49/515322249.db2.gz WYWHXCJJDDVWAD-CQSZACIVSA-N 1 2 350.378 2.745 20 30 FFEDLO C=CCCc1ccccc1NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000505028276 515433900 /nfs/dbraw/zinc/43/39/00/515433900.db2.gz BBMSTCBPCCWICB-UHFFFAOYSA-N 1 2 353.470 2.888 20 30 FFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCC2)[C@H]1c1ccc(Cl)cc1 ZINC000477459371 515465001 /nfs/dbraw/zinc/46/50/01/515465001.db2.gz JIEYPPSYSSZIRR-HZPDHXFCSA-N 1 2 367.902 2.698 20 30 FFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCC2)[C@H]1c1ccc(Cl)cc1 ZINC000477459371 515465007 /nfs/dbraw/zinc/46/50/07/515465007.db2.gz JIEYPPSYSSZIRR-HZPDHXFCSA-N 1 2 367.902 2.698 20 30 FFEDLO N#Cc1ccc(OC2CN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)cc1 ZINC000505292982 515498211 /nfs/dbraw/zinc/49/82/11/515498211.db2.gz CATHUGOLJFDEGQ-UHFFFAOYSA-N 1 2 358.401 2.706 20 30 FFEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000492659468 515553212 /nfs/dbraw/zinc/55/32/12/515553212.db2.gz MDHXJLZJXHZNER-HNNXBMFYSA-N 1 2 360.889 2.735 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1=O ZINC000500014992 515560558 /nfs/dbraw/zinc/56/05/58/515560558.db2.gz CMLVKFXTENXDMW-PKOBYXMFSA-N 1 2 357.498 2.531 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1=O ZINC000500014992 515560565 /nfs/dbraw/zinc/56/05/65/515560565.db2.gz CMLVKFXTENXDMW-PKOBYXMFSA-N 1 2 357.498 2.531 20 30 FFEDLO C=CCOC[C@H]([NH2+]C[C@H](C)c1cccc(Br)c1)C(=O)OC ZINC000482434821 515675512 /nfs/dbraw/zinc/67/55/12/515675512.db2.gz HCLRLWWFTPCXTL-WFASDCNBSA-N 1 2 356.260 2.886 20 30 FFEDLO N#Cc1cccc(F)c1CC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000505936937 515728229 /nfs/dbraw/zinc/72/82/29/515728229.db2.gz CTGJKVLDRQDBQW-UHFFFAOYSA-N 1 2 362.408 2.844 20 30 FFEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(OC(C)C)c(Cl)c2)CC1 ZINC000494109242 515736940 /nfs/dbraw/zinc/73/69/40/515736940.db2.gz RPOMWWOFVWYSEF-UHFFFAOYSA-N 1 2 365.905 2.547 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000478240711 515750397 /nfs/dbraw/zinc/75/03/97/515750397.db2.gz WJWJSRYPNWBWQX-IRXDYDNUSA-N 1 2 361.873 2.518 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494241891 515780420 /nfs/dbraw/zinc/78/04/20/515780420.db2.gz OSHNHPINWKXJAV-UHFFFAOYSA-N 1 2 356.239 2.782 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494241891 515780428 /nfs/dbraw/zinc/78/04/28/515780428.db2.gz OSHNHPINWKXJAV-UHFFFAOYSA-N 1 2 356.239 2.782 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000469606638 515887423 /nfs/dbraw/zinc/88/74/23/515887423.db2.gz IGVPFDKEBOJZGH-HOTGVXAUSA-N 1 2 374.916 2.970 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000469612516 515889126 /nfs/dbraw/zinc/88/91/26/515889126.db2.gz APSQUCGKBHOFLA-VIFPVBQESA-N 1 2 357.298 2.754 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000469612516 515889138 /nfs/dbraw/zinc/88/91/38/515889138.db2.gz APSQUCGKBHOFLA-VIFPVBQESA-N 1 2 357.298 2.754 20 30 FFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)Cc1c(F)cccc1C#N ZINC000511486805 515923156 /nfs/dbraw/zinc/92/31/56/515923156.db2.gz IEDNIYQASNRVND-UHFFFAOYSA-N 1 2 354.307 2.657 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000487744972 515961627 /nfs/dbraw/zinc/96/16/27/515961627.db2.gz VMMPNQHNTHXOSV-ZWKOTPCHSA-N 1 2 357.498 2.580 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000487744972 515961635 /nfs/dbraw/zinc/96/16/35/515961635.db2.gz VMMPNQHNTHXOSV-ZWKOTPCHSA-N 1 2 357.498 2.580 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000464825820 515977163 /nfs/dbraw/zinc/97/71/63/515977163.db2.gz YCJZFNHXFFHHKD-MJGOQNOKSA-N 1 2 369.465 2.941 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000464825820 515977171 /nfs/dbraw/zinc/97/71/71/515977171.db2.gz YCJZFNHXFFHHKD-MJGOQNOKSA-N 1 2 369.465 2.941 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000464825818 515977495 /nfs/dbraw/zinc/97/74/95/515977495.db2.gz YCJZFNHXFFHHKD-HKUYNNGSSA-N 1 2 369.465 2.941 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000464825818 515977498 /nfs/dbraw/zinc/97/74/98/515977498.db2.gz YCJZFNHXFFHHKD-HKUYNNGSSA-N 1 2 369.465 2.941 20 30 FFEDLO N#CCCC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000469991588 516063358 /nfs/dbraw/zinc/06/33/58/516063358.db2.gz MOBKWLGCRYQRET-UHFFFAOYSA-N 1 2 356.253 2.820 20 30 FFEDLO CNC(=O)C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000483423537 516084583 /nfs/dbraw/zinc/08/45/83/516084583.db2.gz ZNHWTEUETHBIAI-QGZVFWFLSA-N 1 2 361.405 2.575 20 30 FFEDLO Cc1cc(C[N@@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)ccc1C#N ZINC000488110941 516121649 /nfs/dbraw/zinc/12/16/49/516121649.db2.gz FJZDKRZUTBYSAX-UHFFFAOYSA-N 1 2 355.463 2.649 20 30 FFEDLO Cc1cc(C[N@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)ccc1C#N ZINC000488110941 516121654 /nfs/dbraw/zinc/12/16/54/516121654.db2.gz FJZDKRZUTBYSAX-UHFFFAOYSA-N 1 2 355.463 2.649 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000507279026 516153158 /nfs/dbraw/zinc/15/31/58/516153158.db2.gz AEZWCWZITDROQJ-WIYYLYMNSA-N 1 2 366.509 2.861 20 30 FFEDLO Cc1cccc([C@@H](CNC(=O)NCC(C)(C)CCC#N)[NH+]2CCOCC2)c1 ZINC000479352713 516160189 /nfs/dbraw/zinc/16/01/89/516160189.db2.gz YAQPEVUARDOIGZ-LJQANCHMSA-N 1 2 372.513 2.998 20 30 FFEDLO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507305546 516165162 /nfs/dbraw/zinc/16/51/62/516165162.db2.gz ODSRZIIHWMXLJR-ZIFCJYIRSA-N 1 2 354.498 2.764 20 30 FFEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccncc1F ZINC000512242831 516208678 /nfs/dbraw/zinc/20/86/78/516208678.db2.gz XOMBUVKWQAEGNI-OAHLLOKOSA-N 1 2 367.428 2.681 20 30 FFEDLO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc(C#N)c1F ZINC000512421975 516272665 /nfs/dbraw/zinc/27/26/65/516272665.db2.gz WJWWOPPACZKKQX-UHFFFAOYSA-N 1 2 369.396 2.929 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc(C#N)c1F ZINC000512421975 516272671 /nfs/dbraw/zinc/27/26/71/516272671.db2.gz WJWWOPPACZKKQX-UHFFFAOYSA-N 1 2 369.396 2.929 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000488748918 516299554 /nfs/dbraw/zinc/29/95/54/516299554.db2.gz ICLVMPHJWFWMIF-NVXWUHKLSA-N 1 2 359.495 2.927 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000488748918 516299560 /nfs/dbraw/zinc/29/95/60/516299560.db2.gz ICLVMPHJWFWMIF-NVXWUHKLSA-N 1 2 359.495 2.927 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3nccc(C#N)c3Cl)CC2)cc(OC)c1 ZINC000557628825 516346408 /nfs/dbraw/zinc/34/64/08/516346408.db2.gz RULXCLJNZHKLJQ-UHFFFAOYSA-N 1 2 372.856 2.946 20 30 FFEDLO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000523008874 516373205 /nfs/dbraw/zinc/37/32/05/516373205.db2.gz FBUOILHHXPCKFF-GOSISDBHSA-N 1 2 363.461 2.978 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000528370470 516384645 /nfs/dbraw/zinc/38/46/45/516384645.db2.gz ZMYOAYFRAHRHSH-ICSRJNTNSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000528370470 516384654 /nfs/dbraw/zinc/38/46/54/516384654.db2.gz ZMYOAYFRAHRHSH-ICSRJNTNSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1cc(F)c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c(F)c1 ZINC000528479574 516469606 /nfs/dbraw/zinc/46/96/06/516469606.db2.gz WTCVTMYMTIKPCJ-CQSZACIVSA-N 1 2 369.437 2.522 20 30 FFEDLO N#Cc1cc(F)c(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)c(F)c1 ZINC000528479574 516469612 /nfs/dbraw/zinc/46/96/12/516469612.db2.gz WTCVTMYMTIKPCJ-CQSZACIVSA-N 1 2 369.437 2.522 20 30 FFEDLO C=CCCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000558024344 516555721 /nfs/dbraw/zinc/55/57/21/516555721.db2.gz XTYDBOORFWNGII-IAGOWNOFSA-N 1 2 363.889 2.626 20 30 FFEDLO C=CCCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000558024344 516555729 /nfs/dbraw/zinc/55/57/29/516555729.db2.gz XTYDBOORFWNGII-IAGOWNOFSA-N 1 2 363.889 2.626 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000536023842 516596110 /nfs/dbraw/zinc/59/61/10/516596110.db2.gz ZLUNJQHPGTXENM-INIZCTEOSA-N 1 2 361.854 2.677 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536020596 516597204 /nfs/dbraw/zinc/59/72/04/516597204.db2.gz KGEXUBWYXYQXFS-GOSISDBHSA-N 1 2 355.463 2.652 20 30 FFEDLO C=CCN1C(=O)c2ccc(-c3nc(Cc4ccc(C)[nH+]c4)no3)cc2C1=O ZINC000544158346 516618013 /nfs/dbraw/zinc/61/80/13/516618013.db2.gz RXBGZVSMMUOJSC-UHFFFAOYSA-N 1 2 360.373 2.813 20 30 FFEDLO C=CCN(CC(F)(F)F)C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000518358425 516627020 /nfs/dbraw/zinc/62/70/20/516627020.db2.gz NIIISKRJIDNFEU-AWEZNQCLSA-N 1 2 373.394 2.913 20 30 FFEDLO C=CCN(CCC#N)C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000551381706 516684275 /nfs/dbraw/zinc/68/42/75/516684275.db2.gz WGJKYCFDLMYWCA-UHFFFAOYSA-N 1 2 350.378 2.741 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(-n4cccc4)ccn3)CC2)cc1 ZINC000558337767 516693760 /nfs/dbraw/zinc/69/37/60/516693760.db2.gz CIOAYMXKZPDBCL-UHFFFAOYSA-N 1 2 371.444 2.702 20 30 FFEDLO Cc1cc(C[N@H+]2CCc3c(cccc3S(=O)(=O)N(C)C)C2)ccc1C#N ZINC000551463313 516719303 /nfs/dbraw/zinc/71/93/03/516719303.db2.gz GMZPYCHXWRQLEN-UHFFFAOYSA-N 1 2 369.490 2.675 20 30 FFEDLO Cc1cc(C[N@@H+]2CCc3c(cccc3S(=O)(=O)N(C)C)C2)ccc1C#N ZINC000551463313 516719312 /nfs/dbraw/zinc/71/93/12/516719312.db2.gz GMZPYCHXWRQLEN-UHFFFAOYSA-N 1 2 369.490 2.675 20 30 FFEDLO CCc1cccc(OCC[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000513978589 516820739 /nfs/dbraw/zinc/82/07/39/516820739.db2.gz PAHUDIKEDNSRLB-JTSKRJEESA-N 1 2 361.445 2.973 20 30 FFEDLO CCc1cccc(OCC[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000513978589 516820746 /nfs/dbraw/zinc/82/07/46/516820746.db2.gz PAHUDIKEDNSRLB-JTSKRJEESA-N 1 2 361.445 2.973 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cnccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000514088081 516856167 /nfs/dbraw/zinc/85/61/67/516856167.db2.gz JWPKULWWMOPICB-IAGOWNOFSA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)c2cnccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000514088081 516856176 /nfs/dbraw/zinc/85/61/76/516856176.db2.gz JWPKULWWMOPICB-IAGOWNOFSA-N 1 2 358.804 2.921 20 30 FFEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000544727293 516898253 /nfs/dbraw/zinc/89/82/53/516898253.db2.gz DXNZUFVWTVTCLD-IBGZPJMESA-N 1 2 369.490 2.843 20 30 FFEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000544727293 516898258 /nfs/dbraw/zinc/89/82/58/516898258.db2.gz DXNZUFVWTVTCLD-IBGZPJMESA-N 1 2 369.490 2.843 20 30 FFEDLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cccc(C#N)n3)CC2)c1C ZINC000544881319 516972875 /nfs/dbraw/zinc/97/28/75/516972875.db2.gz FEIWYOHTMWCLJE-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000519450081 517003506 /nfs/dbraw/zinc/00/35/06/517003506.db2.gz QQBUIMUUMLIRNZ-LSDHHAIUSA-N 1 2 362.499 2.781 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000519450081 517003513 /nfs/dbraw/zinc/00/35/13/517003513.db2.gz QQBUIMUUMLIRNZ-LSDHHAIUSA-N 1 2 362.499 2.781 20 30 FFEDLO COC(=O)c1ccc2c(c1)nc(C[NH+]1CCC(CCC#N)CC1)[nH]c2=O ZINC000514859589 517094840 /nfs/dbraw/zinc/09/48/40/517094840.db2.gz ATEVKTPJMKCQCM-UHFFFAOYSA-N 1 2 354.410 2.638 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000541682467 517171217 /nfs/dbraw/zinc/17/12/17/517171217.db2.gz RZSYNFNYTXWWFK-AUSJPIAWSA-N 1 2 369.469 2.754 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000541685824 517172136 /nfs/dbraw/zinc/17/21/36/517172136.db2.gz AOJXRZFJEZPMIB-TZMCWYRMSA-N 1 2 373.432 2.843 20 30 FFEDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)o1 ZINC000541686849 517173244 /nfs/dbraw/zinc/17/32/44/517173244.db2.gz LZUZVPBBPHGZHN-HUUCEWRRSA-N 1 2 355.442 2.981 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000541685820 517173390 /nfs/dbraw/zinc/17/33/90/517173390.db2.gz AOJXRZFJEZPMIB-JSGCOSHPSA-N 1 2 373.432 2.843 20 30 FFEDLO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000548753726 517190482 /nfs/dbraw/zinc/19/04/82/517190482.db2.gz APBAWZRIJLLBHH-BZUAXINKSA-N 1 2 370.497 2.839 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C/C=C/c1ccc(F)cc1F ZINC000541773493 517210076 /nfs/dbraw/zinc/21/00/76/517210076.db2.gz ZJBMZTHKAQOTSF-BAABZTOOSA-N 1 2 355.392 2.850 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C/C=C/c1ccc(F)cc1F ZINC000541773493 517210089 /nfs/dbraw/zinc/21/00/89/517210089.db2.gz ZJBMZTHKAQOTSF-BAABZTOOSA-N 1 2 355.392 2.850 20 30 FFEDLO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000525888563 517218522 /nfs/dbraw/zinc/21/85/22/517218522.db2.gz JCEIZOWOZSECEP-UHFFFAOYSA-N 1 2 369.469 2.999 20 30 FFEDLO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc1C(F)(F)F ZINC000556049402 517244089 /nfs/dbraw/zinc/24/40/89/517244089.db2.gz VULKWDSNHXVDHW-GFCCVEGCSA-N 1 2 359.373 2.642 20 30 FFEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccccc2Oc2ccccc2C#N)CCO1 ZINC000537587209 517246185 /nfs/dbraw/zinc/24/61/85/517246185.db2.gz OBCSLVZTLBHNLK-MRXNPFEDSA-N 1 2 365.433 2.801 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccccc2Oc2ccccc2C#N)CCO1 ZINC000537587209 517246192 /nfs/dbraw/zinc/24/61/92/517246192.db2.gz OBCSLVZTLBHNLK-MRXNPFEDSA-N 1 2 365.433 2.801 20 30 FFEDLO C[C@@H]1C[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC000537597040 517249623 /nfs/dbraw/zinc/24/96/23/517249623.db2.gz NYVCHVWWMLGTLP-SJLPKXTDSA-N 1 2 353.466 2.666 20 30 FFEDLO CCOC(=O)C[N@H+](CC(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000556087057 517261843 /nfs/dbraw/zinc/26/18/43/517261843.db2.gz LBJXEWORMRWGIE-SFHVURJKSA-N 1 2 357.454 2.575 20 30 FFEDLO CCOC(=O)C[N@@H+](CC(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000556087057 517261851 /nfs/dbraw/zinc/26/18/51/517261851.db2.gz LBJXEWORMRWGIE-SFHVURJKSA-N 1 2 357.454 2.575 20 30 FFEDLO Cc1cc(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc[nH+]1 ZINC000526093307 517340281 /nfs/dbraw/zinc/34/02/81/517340281.db2.gz HLCZPAVWOJLGRE-UHFFFAOYSA-N 1 2 351.410 2.590 20 30 FFEDLO N#Cc1ccc(C(=O)CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000552670459 517340986 /nfs/dbraw/zinc/34/09/86/517340986.db2.gz FUGNDJRXBJFGKQ-IBGZPJMESA-N 1 2 365.408 2.661 20 30 FFEDLO N#Cc1ccc(C(=O)CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000552670459 517340997 /nfs/dbraw/zinc/34/09/97/517340997.db2.gz FUGNDJRXBJFGKQ-IBGZPJMESA-N 1 2 365.408 2.661 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000533345558 517418710 /nfs/dbraw/zinc/41/87/10/517418710.db2.gz LAYCWXQQMMFWCU-MRXNPFEDSA-N 1 2 371.448 2.516 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000533345558 517418718 /nfs/dbraw/zinc/41/87/18/517418718.db2.gz LAYCWXQQMMFWCU-MRXNPFEDSA-N 1 2 371.448 2.516 20 30 FFEDLO C[C@@H]1CN(c2ccc(NCc3cnc4ccc(C#N)cn34)c[nH+]2)C[C@H](C)O1 ZINC000526991050 517434917 /nfs/dbraw/zinc/43/49/17/517434917.db2.gz BEHSXZHVRRABMR-GASCZTMLSA-N 1 2 362.437 2.827 20 30 FFEDLO N#Cc1ccc(C2(NC(=O)Cc3cn4ccccc4[nH+]3)CCOCC2)cc1 ZINC000530062372 517534333 /nfs/dbraw/zinc/53/43/33/517534333.db2.gz PGFYDKOKUHALDJ-UHFFFAOYSA-N 1 2 360.417 2.571 20 30 FFEDLO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)c(C)c1 ZINC000549464267 517577384 /nfs/dbraw/zinc/57/73/84/517577384.db2.gz SCDYHJGPAKZZAU-QRVBRYPASA-N 1 2 355.482 2.907 20 30 FFEDLO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)c(C)c1 ZINC000549464265 517577428 /nfs/dbraw/zinc/57/74/28/517577428.db2.gz SCDYHJGPAKZZAU-CEXWTWQISA-N 1 2 355.482 2.907 20 30 FFEDLO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccon1 ZINC000542649157 517669714 /nfs/dbraw/zinc/66/97/14/517669714.db2.gz UZTXVGOOBCRSEI-LBPRGKRZSA-N 1 2 351.328 2.512 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(CC#N)cc3)c[nH+]2)C[C@@H](C)O1 ZINC000533925535 517671290 /nfs/dbraw/zinc/67/12/90/517671290.db2.gz VOZFDKPWJGJREO-HZPDHXFCSA-N 1 2 364.449 2.691 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000538663826 517709077 /nfs/dbraw/zinc/70/90/77/517709077.db2.gz GSYDQYYWXMOUPB-ZBFHGGJFSA-N 1 2 373.526 2.957 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000538663826 517709091 /nfs/dbraw/zinc/70/90/91/517709091.db2.gz GSYDQYYWXMOUPB-ZBFHGGJFSA-N 1 2 373.526 2.957 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000538663826 517709102 /nfs/dbraw/zinc/70/91/02/517709102.db2.gz GSYDQYYWXMOUPB-ZBFHGGJFSA-N 1 2 373.526 2.957 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000538663826 517709108 /nfs/dbraw/zinc/70/91/08/517709108.db2.gz GSYDQYYWXMOUPB-ZBFHGGJFSA-N 1 2 373.526 2.957 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000538663826 517709117 /nfs/dbraw/zinc/70/91/17/517709117.db2.gz GSYDQYYWXMOUPB-ZBFHGGJFSA-N 1 2 373.526 2.957 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000538663826 517709127 /nfs/dbraw/zinc/70/91/27/517709127.db2.gz GSYDQYYWXMOUPB-ZBFHGGJFSA-N 1 2 373.526 2.957 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1ccc2oc3ccccc3c2c1 ZINC000563220473 517748396 /nfs/dbraw/zinc/74/83/96/517748396.db2.gz ORCVOQJOXHQFQN-HXUWFJFHSA-N 1 2 351.406 2.925 20 30 FFEDLO Cc1ccc(OC(F)F)c(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000557001081 517798544 /nfs/dbraw/zinc/79/85/44/517798544.db2.gz ZEPGHLLPMAKNKC-AWEZNQCLSA-N 1 2 373.407 2.969 20 30 FFEDLO Cc1ccc(OC(F)F)c(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000557001081 517798552 /nfs/dbraw/zinc/79/85/52/517798552.db2.gz ZEPGHLLPMAKNKC-AWEZNQCLSA-N 1 2 373.407 2.969 20 30 FFEDLO CCN1CCN(c2c(C#N)cnc3c(F)cc(F)cc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530480660 517801833 /nfs/dbraw/zinc/80/18/33/517801833.db2.gz CSJSYUSKJWMEMO-MRXNPFEDSA-N 1 2 368.391 2.991 20 30 FFEDLO N#Cc1ccc(CN2CC[N@@H+](Cc3ccc(C#N)s3)C[C@H]2CCO)s1 ZINC000563363001 517850699 /nfs/dbraw/zinc/85/06/99/517850699.db2.gz HNGDCHZUIPTLCE-CQSZACIVSA-N 1 2 372.519 2.622 20 30 FFEDLO N#Cc1ccc(CN2CC[N@H+](Cc3ccc(C#N)s3)C[C@H]2CCO)s1 ZINC000563363001 517850711 /nfs/dbraw/zinc/85/07/11/517850711.db2.gz HNGDCHZUIPTLCE-CQSZACIVSA-N 1 2 372.519 2.622 20 30 FFEDLO N#Cc1ccc(CN2CC[N@H+](Cc3ccc(C#N)s3)[C@H](CCO)C2)s1 ZINC000563363001 517850721 /nfs/dbraw/zinc/85/07/21/517850721.db2.gz HNGDCHZUIPTLCE-CQSZACIVSA-N 1 2 372.519 2.622 20 30 FFEDLO N#Cc1ccc(CN2CC[N@@H+](Cc3ccc(C#N)s3)[C@H](CCO)C2)s1 ZINC000563363001 517850730 /nfs/dbraw/zinc/85/07/30/517850730.db2.gz HNGDCHZUIPTLCE-CQSZACIVSA-N 1 2 372.519 2.622 20 30 FFEDLO C=CCCOCCNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000534549295 517938133 /nfs/dbraw/zinc/93/81/33/517938133.db2.gz KRIKKHMYFQAOOX-UHFFFAOYSA-N 1 2 355.394 2.521 20 30 FFEDLO C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+]Cc2nc(C#N)cs2)C1=O ZINC000550255724 517954849 /nfs/dbraw/zinc/95/48/49/517954849.db2.gz OWUQKJUNHHRRFS-MLGOLLRUSA-N 1 2 358.442 2.996 20 30 FFEDLO C=CCCc1nc(-c2ccc(N3CCN(c4cccc[nH+]4)CC3)nc2)no1 ZINC000547216526 518027642 /nfs/dbraw/zinc/02/76/42/518027642.db2.gz YKXKBTLKVXVAQX-UHFFFAOYSA-N 1 2 362.437 2.972 20 30 FFEDLO C[C@@]1(c2ccc(F)cc2)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000564154302 518327346 /nfs/dbraw/zinc/32/73/46/518327346.db2.gz YVLKSEOUDNRCPQ-LJQANCHMSA-N 1 2 373.453 2.530 20 30 FFEDLO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000564154302 518327351 /nfs/dbraw/zinc/32/73/51/518327351.db2.gz YVLKSEOUDNRCPQ-LJQANCHMSA-N 1 2 373.453 2.530 20 30 FFEDLO C=CC[N@@H+](Cc1cn(C(C)C)nn1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000584865990 518514311 /nfs/dbraw/zinc/51/43/11/518514311.db2.gz LKPMENQEOWHDIK-HNNXBMFYSA-N 1 2 352.446 2.584 20 30 FFEDLO C=CC[N@H+](Cc1cn(C(C)C)nn1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000584865990 518514314 /nfs/dbraw/zinc/51/43/14/518514314.db2.gz LKPMENQEOWHDIK-HNNXBMFYSA-N 1 2 352.446 2.584 20 30 FFEDLO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000564607296 518523389 /nfs/dbraw/zinc/52/33/89/518523389.db2.gz IFKCDXAFXZHOJV-SFHVURJKSA-N 1 2 373.478 2.819 20 30 FFEDLO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000564607296 518523392 /nfs/dbraw/zinc/52/33/92/518523392.db2.gz IFKCDXAFXZHOJV-SFHVURJKSA-N 1 2 373.478 2.819 20 30 FFEDLO CC(C)Oc1cc(Br)cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000582006499 518543674 /nfs/dbraw/zinc/54/36/74/518543674.db2.gz LOYDKDMUMJRSCT-INIZCTEOSA-N 1 2 368.275 2.810 20 30 FFEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000564734521 518589511 /nfs/dbraw/zinc/58/95/11/518589511.db2.gz FSEWYUPCCYKJRJ-JQWIXIFHSA-N 1 2 371.222 2.900 20 30 FFEDLO Cc1ccc(-n2nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c3c2CCC3)c(C)c1 ZINC000570455467 518615537 /nfs/dbraw/zinc/61/55/37/518615537.db2.gz QMRSTTQVAIERDN-NRFANRHFSA-N 1 2 365.481 2.552 20 30 FFEDLO N#Cc1c(N2CC[NH+](Cc3cccnc3)CC2)nc2cc(Cl)ccn12 ZINC000579487291 518704454 /nfs/dbraw/zinc/70/44/54/518704454.db2.gz ZODSUBYINSTDJS-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CCCCCC#N)c2)CC1 ZINC000588701593 518811305 /nfs/dbraw/zinc/81/13/05/518811305.db2.gz YUMVIPFCQKZIND-UHFFFAOYSA-N 1 2 356.470 2.763 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000579789791 518850609 /nfs/dbraw/zinc/85/06/09/518850609.db2.gz SRTRLEUGXKDPEJ-UHFFFAOYSA-N 1 2 352.482 2.946 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000579789791 518850616 /nfs/dbraw/zinc/85/06/16/518850616.db2.gz SRTRLEUGXKDPEJ-UHFFFAOYSA-N 1 2 352.482 2.946 20 30 FFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000579811289 518865253 /nfs/dbraw/zinc/86/52/53/518865253.db2.gz LVVJPRPXBFSWMS-VQTJNVASSA-N 1 2 353.466 2.695 20 30 FFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000579811289 518865259 /nfs/dbraw/zinc/86/52/59/518865259.db2.gz LVVJPRPXBFSWMS-VQTJNVASSA-N 1 2 353.466 2.695 20 30 FFEDLO C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000565380217 518926494 /nfs/dbraw/zinc/92/64/94/518926494.db2.gz YNDCVFLJCMMIAK-UHFFFAOYSA-N 1 2 352.369 2.627 20 30 FFEDLO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000574090577 518982358 /nfs/dbraw/zinc/98/23/58/518982358.db2.gz YMLLXGQXDJJWRB-HXUWFJFHSA-N 1 2 358.486 2.522 20 30 FFEDLO N#CCN1CCC[C@H](CNC(=O)CCn2c3ccccc3[nH+]c2C2CC2)C1 ZINC000589431844 519001064 /nfs/dbraw/zinc/00/10/64/519001064.db2.gz ZPMMBLUJZLAZAN-MRXNPFEDSA-N 1 2 365.481 2.656 20 30 FFEDLO C=CCC1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)CCOCC1 ZINC000565593397 519034561 /nfs/dbraw/zinc/03/45/61/519034561.db2.gz FHFMMKUDBAFRLN-IAGOWNOFSA-N 1 2 373.497 2.684 20 30 FFEDLO Cc1ccc(-n2nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c3c2CCCC3)cc1 ZINC000571331214 519042007 /nfs/dbraw/zinc/04/20/07/519042007.db2.gz NUDCWEZYEBSABG-NRFANRHFSA-N 1 2 365.481 2.633 20 30 FFEDLO CC[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1OCC(=O)N(C)C ZINC000583053728 519054081 /nfs/dbraw/zinc/05/40/81/519054081.db2.gz SEXQNOVZRJLOER-HNNXBMFYSA-N 1 2 358.467 2.723 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1c[nH]c2ccccc12 ZINC000580672527 519295070 /nfs/dbraw/zinc/29/50/70/519295070.db2.gz MIFIOEJCLDTWPJ-UHFFFAOYSA-N 1 2 368.462 2.730 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1c[nH]c2ccccc12 ZINC000580672527 519295077 /nfs/dbraw/zinc/29/50/77/519295077.db2.gz MIFIOEJCLDTWPJ-UHFFFAOYSA-N 1 2 368.462 2.730 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H](NS(=O)(=O)CC(C)(C)CC#N)c1ccccc1 ZINC000590748463 519348241 /nfs/dbraw/zinc/34/82/41/519348241.db2.gz ZSSDTXVKJUEMBL-MRXNPFEDSA-N 1 2 360.483 2.563 20 30 FFEDLO N#CC1(CS(=O)(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CCC1 ZINC000590758260 519353892 /nfs/dbraw/zinc/35/38/92/519353892.db2.gz YMZHWSBFUQRIRZ-UHFFFAOYSA-N 1 2 364.858 2.639 20 30 FFEDLO Cc1nc(CNC[C@H](O)C[N@H+](C)CCC#N)oc1-c1ccc(Cl)cc1 ZINC000580828801 519380326 /nfs/dbraw/zinc/38/03/26/519380326.db2.gz LZCFYTMZJDTCMC-INIZCTEOSA-N 1 2 362.861 2.599 20 30 FFEDLO Cc1nc(CNC[C@H](O)C[N@@H+](C)CCC#N)oc1-c1ccc(Cl)cc1 ZINC000580828801 519380332 /nfs/dbraw/zinc/38/03/32/519380332.db2.gz LZCFYTMZJDTCMC-INIZCTEOSA-N 1 2 362.861 2.599 20 30 FFEDLO CN(CCOCc1ccc(C#N)cc1)c1cc(N2CCSCC2)nc[nH+]1 ZINC000578042986 519387183 /nfs/dbraw/zinc/38/71/83/519387183.db2.gz OWIAMXUHZJTEGG-UHFFFAOYSA-N 1 2 369.494 2.554 20 30 FFEDLO CN(CCOCc1ccc(C#N)cc1)c1cc(N2CCSCC2)[nH+]cn1 ZINC000578042986 519387192 /nfs/dbraw/zinc/38/71/92/519387192.db2.gz OWIAMXUHZJTEGG-UHFFFAOYSA-N 1 2 369.494 2.554 20 30 FFEDLO CC#CC[N@H+](C)CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000566347989 519447247 /nfs/dbraw/zinc/44/72/47/519447247.db2.gz IJJWRJNPDNBMEU-UHFFFAOYSA-N 1 2 372.856 2.836 20 30 FFEDLO CC#CC[N@@H+](C)CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000566347989 519447253 /nfs/dbraw/zinc/44/72/53/519447253.db2.gz IJJWRJNPDNBMEU-UHFFFAOYSA-N 1 2 372.856 2.836 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590971707 519465057 /nfs/dbraw/zinc/46/50/57/519465057.db2.gz HJLNZLJUDHENEF-UXLLHSPISA-N 1 2 359.495 2.988 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590971707 519465063 /nfs/dbraw/zinc/46/50/63/519465063.db2.gz HJLNZLJUDHENEF-UXLLHSPISA-N 1 2 359.495 2.988 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000569296279 519473733 /nfs/dbraw/zinc/47/37/33/519473733.db2.gz SMXRHDDSZHEQSF-QAPCUYQASA-N 1 2 360.502 2.878 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000569296279 519473739 /nfs/dbraw/zinc/47/37/39/519473739.db2.gz SMXRHDDSZHEQSF-QAPCUYQASA-N 1 2 360.502 2.878 20 30 FFEDLO C=CCCCCCN(C)C(=O)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000578210825 519476040 /nfs/dbraw/zinc/47/60/40/519476040.db2.gz ZOTCSDWJGKKYQF-UHFFFAOYSA-N 1 2 362.861 2.809 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000569327489 519494080 /nfs/dbraw/zinc/49/40/80/519494080.db2.gz JLBCRYKOUSWHDT-VQTJNVASSA-N 1 2 361.445 2.938 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000569327489 519494085 /nfs/dbraw/zinc/49/40/85/519494085.db2.gz JLBCRYKOUSWHDT-VQTJNVASSA-N 1 2 361.445 2.938 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(CC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000591331971 519594213 /nfs/dbraw/zinc/59/42/13/519594213.db2.gz ANJKGSJMVLCTHG-QGZVFWFLSA-N 1 2 369.490 2.648 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(CC#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000591331971 519594220 /nfs/dbraw/zinc/59/42/20/519594220.db2.gz ANJKGSJMVLCTHG-QGZVFWFLSA-N 1 2 369.490 2.648 20 30 FFEDLO N#Cc1csc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000584165450 519620816 /nfs/dbraw/zinc/62/08/16/519620816.db2.gz KBMZUHJDTPDZKB-UHFFFAOYSA-N 1 2 359.430 2.940 20 30 FFEDLO C[C@@H]1C[NH+](Cc2nnc(-c3ccc(Cl)cc3)n2C)C[C@@H](C)N1CC#N ZINC000602853667 519926244 /nfs/dbraw/zinc/92/62/44/519926244.db2.gz KUSZELOZFDXXIF-ZIAGYGMSSA-N 1 2 358.877 2.554 20 30 FFEDLO C[C@H](NC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000602857477 519928218 /nfs/dbraw/zinc/92/82/18/519928218.db2.gz RRGOUZHLNZZJGG-BZSNNMDCSA-N 1 2 368.525 2.661 20 30 FFEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@H](C)CC#N)c1C#N ZINC000602870325 519940042 /nfs/dbraw/zinc/94/00/42/519940042.db2.gz SLWKMGZRPYIMLN-GFCCVEGCSA-N 1 2 353.401 2.935 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(NC(=O)c2ccccc2)c1 ZINC000591772656 520032606 /nfs/dbraw/zinc/03/26/06/520032606.db2.gz VCGRHDHNLDWZLK-IBGZPJMESA-N 1 2 352.438 2.557 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(NC(=O)c2ccccc2)c1 ZINC000591772656 520032610 /nfs/dbraw/zinc/03/26/10/520032610.db2.gz VCGRHDHNLDWZLK-IBGZPJMESA-N 1 2 352.438 2.557 20 30 FFEDLO CCOC(=O)c1cccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)n1 ZINC000600107196 520051543 /nfs/dbraw/zinc/05/15/43/520051543.db2.gz RSWQSSWDGHJPIT-FQEVSTJZSA-N 1 2 364.449 2.641 20 30 FFEDLO Cc1cc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)ncc1C#N ZINC000603112079 520086053 /nfs/dbraw/zinc/08/60/53/520086053.db2.gz HVNNNFLXDMKXTF-AWEZNQCLSA-N 1 2 355.467 2.656 20 30 FFEDLO N#Cc1cc(Cl)c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c(Cl)c1 ZINC000597708250 520188538 /nfs/dbraw/zinc/18/85/38/520188538.db2.gz VQZUYJWHRSARGB-CYBMUJFWSA-N 1 2 368.264 2.802 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCn3cc[nH+]c3C2)c1C#N ZINC000609145723 520206140 /nfs/dbraw/zinc/20/61/40/520206140.db2.gz ZLHFDAABISFDLE-UHFFFAOYSA-N 1 2 366.469 2.743 20 30 FFEDLO N#CCn1c(C(=O)N2CC[NH+](Cc3cccnc3)CC2)cc2ccccc21 ZINC000609161171 520215810 /nfs/dbraw/zinc/21/58/10/520215810.db2.gz MHOJZLNWWSALGQ-UHFFFAOYSA-N 1 2 359.433 2.518 20 30 FFEDLO COc1cccc(-c2nc(C[N@@H+]3CC[C@](O)(CC#N)C3)cs2)c1OC ZINC000592148388 520227710 /nfs/dbraw/zinc/22/77/10/520227710.db2.gz YDAXVPVEAWPMKS-GOSISDBHSA-N 1 2 359.451 2.678 20 30 FFEDLO COc1cccc(-c2nc(C[N@H+]3CC[C@](O)(CC#N)C3)cs2)c1OC ZINC000592148388 520227717 /nfs/dbraw/zinc/22/77/17/520227717.db2.gz YDAXVPVEAWPMKS-GOSISDBHSA-N 1 2 359.451 2.678 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](CC(N)=O)C1CCCC1 ZINC000609385166 520300648 /nfs/dbraw/zinc/30/06/48/520300648.db2.gz VVQNRPZXKJSJAC-AWEZNQCLSA-N 1 2 374.510 2.607 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](CC(N)=O)C1CCCC1 ZINC000609385166 520300656 /nfs/dbraw/zinc/30/06/56/520300656.db2.gz VVQNRPZXKJSJAC-AWEZNQCLSA-N 1 2 374.510 2.607 20 30 FFEDLO CC(C)[C@@H](NC(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1)c1ccccc1 ZINC000609484326 520328701 /nfs/dbraw/zinc/32/87/01/520328701.db2.gz AKMQBIXJSAMMRI-TZIWHRDSSA-N 1 2 356.514 2.666 20 30 FFEDLO N#Cc1ccc(Cc2cnc(NC(=O)NCCn3cc[nH+]c3)s2)cc1 ZINC000603650194 520336054 /nfs/dbraw/zinc/33/60/54/520336054.db2.gz UQKXETWQQMWJPD-UHFFFAOYSA-N 1 2 352.423 2.624 20 30 FFEDLO Cc1[nH+]c2ccc(C(=O)N3CCN(c4ccsc4C#N)CC3)cc2n1C ZINC000597941304 520340678 /nfs/dbraw/zinc/34/06/78/520340678.db2.gz YRMIMUYZTLGPGM-UHFFFAOYSA-N 1 2 365.462 2.777 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2Cl)CC1 ZINC000609538784 520349526 /nfs/dbraw/zinc/34/95/26/520349526.db2.gz XRWGQNFJCVYBBR-YJBOKZPZSA-N 1 2 362.905 2.510 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](C)C[C@@H](C)C#N)c1CN(C)C[C@@H](C)C#N ZINC000595302642 520395935 /nfs/dbraw/zinc/39/59/35/520395935.db2.gz WJWGPQLFPXZTTA-HOTGVXAUSA-N 1 2 356.470 2.656 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](C)C[C@@H](C)C#N)c1CN(C)C[C@@H](C)C#N ZINC000595302642 520395945 /nfs/dbraw/zinc/39/59/45/520395945.db2.gz WJWGPQLFPXZTTA-HOTGVXAUSA-N 1 2 356.470 2.656 20 30 FFEDLO N#CCN1CC[NH+](Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000592499295 520420025 /nfs/dbraw/zinc/42/00/25/520420025.db2.gz ZYWAHGBBPOHDCD-UHFFFAOYSA-N 1 2 360.202 2.692 20 30 FFEDLO Cc1ccccc1-n1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cn1 ZINC000592497249 520420317 /nfs/dbraw/zinc/42/03/17/520420317.db2.gz RDZGVTOSRBIQFT-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000592522112 520437103 /nfs/dbraw/zinc/43/71/03/520437103.db2.gz HYEISFRSBLKJOT-INIZCTEOSA-N 1 2 361.243 2.690 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000592522112 520437111 /nfs/dbraw/zinc/43/71/11/520437111.db2.gz HYEISFRSBLKJOT-INIZCTEOSA-N 1 2 361.243 2.690 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000592522062 520438271 /nfs/dbraw/zinc/43/82/71/520438271.db2.gz HEJRXFBNILFDKL-AWEZNQCLSA-N 1 2 361.186 2.901 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000592522062 520438276 /nfs/dbraw/zinc/43/82/76/520438276.db2.gz HEJRXFBNILFDKL-AWEZNQCLSA-N 1 2 361.186 2.901 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCS[C@H](c3ccccc3)C2)cc1 ZINC000609800864 520439278 /nfs/dbraw/zinc/43/92/78/520439278.db2.gz UHELOUYFCNTUAK-IBGZPJMESA-N 1 2 351.475 2.965 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCS[C@H](c3ccccc3)C2)cc1 ZINC000609800864 520439291 /nfs/dbraw/zinc/43/92/91/520439291.db2.gz UHELOUYFCNTUAK-IBGZPJMESA-N 1 2 351.475 2.965 20 30 FFEDLO N#Cc1c(NC(=O)C[N@H+]2CCC[C@@H](CCO)C2)sc2c1CCCCC2 ZINC000609848343 520455161 /nfs/dbraw/zinc/45/51/61/520455161.db2.gz BUECYSAJCYPWFZ-AWEZNQCLSA-N 1 2 361.511 2.922 20 30 FFEDLO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@@H](CCO)C2)sc2c1CCCCC2 ZINC000609848343 520455170 /nfs/dbraw/zinc/45/51/70/520455170.db2.gz BUECYSAJCYPWFZ-AWEZNQCLSA-N 1 2 361.511 2.922 20 30 FFEDLO C=CCCSCCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000595424583 520462825 /nfs/dbraw/zinc/46/28/25/520462825.db2.gz GXJAPDYQEZVNSB-UHFFFAOYSA-N 1 2 363.527 2.627 20 30 FFEDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cn(-c3cccc(C#N)c3)nn2)CC1 ZINC000600971318 520565721 /nfs/dbraw/zinc/56/57/21/520565721.db2.gz XNDOXLUQPVUTJA-UHFFFAOYSA-N 1 2 367.453 2.693 20 30 FFEDLO COc1cc(-c2noc(C[N@@H+]3CCC[C@@H](CC#N)C3)n2)cc(OC)c1OC ZINC000595616577 520597817 /nfs/dbraw/zinc/59/78/17/520597817.db2.gz RWILHBTZWDSAEI-ZDUSSCGKSA-N 1 2 372.425 2.888 20 30 FFEDLO COc1cc(-c2noc(C[N@H+]3CCC[C@@H](CC#N)C3)n2)cc(OC)c1OC ZINC000595616577 520597825 /nfs/dbraw/zinc/59/78/25/520597825.db2.gz RWILHBTZWDSAEI-ZDUSSCGKSA-N 1 2 372.425 2.888 20 30 FFEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cccc(Cl)c3C#N)CC2)C1 ZINC000610339621 520641627 /nfs/dbraw/zinc/64/16/27/520641627.db2.gz HBKVMGONKRCROQ-HOTGVXAUSA-N 1 2 374.916 2.838 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000601128455 520651008 /nfs/dbraw/zinc/65/10/08/520651008.db2.gz IVOAMMBWSGRZMA-QGZVFWFLSA-N 1 2 353.426 2.668 20 30 FFEDLO COc1ccncc1C[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595733140 520679960 /nfs/dbraw/zinc/67/99/60/520679960.db2.gz LZVHWEVVNMMQNQ-UHFFFAOYSA-N 1 2 374.448 2.674 20 30 FFEDLO Cc1cnc([C@H](C)[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cn1 ZINC000595731848 520681351 /nfs/dbraw/zinc/68/13/51/520681351.db2.gz IBVLEUDCCWLYKG-INIZCTEOSA-N 1 2 373.464 2.930 20 30 FFEDLO C[C@H]1C[NH+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H](C)C1O ZINC000595742851 520691432 /nfs/dbraw/zinc/69/14/32/520691432.db2.gz JHFZNIQOSVUVCO-STQMWFEESA-N 1 2 361.511 2.776 20 30 FFEDLO Cc1nsc(N2CCN(Cc3cc(OC(C)C)cc[nH+]3)CC2)c1C#N ZINC000593029932 520695737 /nfs/dbraw/zinc/69/57/37/520695737.db2.gz WMVSUXIWCVZAAR-UHFFFAOYSA-N 1 2 357.483 2.828 20 30 FFEDLO CC[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1nnc2n1CCCCC2 ZINC000595799765 520733560 /nfs/dbraw/zinc/73/35/60/520733560.db2.gz HCOVBGKTQWSZPS-MRXNPFEDSA-N 1 2 352.442 2.556 20 30 FFEDLO CC1(C)[C@@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(F)F ZINC000595799956 520735310 /nfs/dbraw/zinc/73/53/10/520735310.db2.gz OFRGFDBHAFYEBW-MRXNPFEDSA-N 1 2 362.424 2.677 20 30 FFEDLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000595823533 520746551 /nfs/dbraw/zinc/74/65/51/520746551.db2.gz LXIDQPWWLUWTRM-AWEZNQCLSA-N 1 2 365.275 2.508 20 30 FFEDLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000595823533 520746560 /nfs/dbraw/zinc/74/65/60/520746560.db2.gz LXIDQPWWLUWTRM-AWEZNQCLSA-N 1 2 365.275 2.508 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2c(cncc2Br)s1 ZINC000593153660 520785063 /nfs/dbraw/zinc/78/50/63/520785063.db2.gz ZYJOWLISZPQGEK-AWEZNQCLSA-N 1 2 367.272 2.632 20 30 FFEDLO C[NH+](C)Cc1ccnc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593277040 520874684 /nfs/dbraw/zinc/87/46/84/520874684.db2.gz KVNLFXGZJUKRPY-UHFFFAOYSA-N 1 2 358.467 2.745 20 30 FFEDLO N#CCc1cccc2c1CCN(C(=O)NCCc1cn3c([nH+]1)CCCC3)C2 ZINC000598959797 520944691 /nfs/dbraw/zinc/94/46/91/520944691.db2.gz FPJIJZKOWOWZLM-UHFFFAOYSA-N 1 2 363.465 2.596 20 30 FFEDLO CO[C@H]1CN(c2[nH+]c(C)cc(N3CC[C@@H](C)[C@H](OC)C3)c2C#N)CC[C@@H]1C ZINC000596202790 520967465 /nfs/dbraw/zinc/96/74/65/520967465.db2.gz ISMOCHXPMFJCMS-ITKAJJHTSA-N 1 2 372.513 2.984 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000611080970 520975803 /nfs/dbraw/zinc/97/58/03/520975803.db2.gz ZLKWOHPIUKYLHJ-HXUWFJFHSA-N 1 2 370.474 2.796 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000611080970 520975806 /nfs/dbraw/zinc/97/58/06/520975806.db2.gz ZLKWOHPIUKYLHJ-HXUWFJFHSA-N 1 2 370.474 2.796 20 30 FFEDLO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CCN(CCC#N)CC1 ZINC000611175180 521024212 /nfs/dbraw/zinc/02/42/12/521024212.db2.gz UZWHQXVJQKPTOK-ZWKOTPCHSA-N 1 2 364.493 2.937 20 30 FFEDLO C[N@@H+]1CCOC[C@@H]1CNc1c(C#N)cnc2c(Br)cccc21 ZINC000599160380 521063145 /nfs/dbraw/zinc/06/31/45/521063145.db2.gz GWPJRYBWVXVRHU-LBPRGKRZSA-N 1 2 361.243 2.611 20 30 FFEDLO C[N@H+]1CCOC[C@@H]1CNc1c(C#N)cnc2c(Br)cccc21 ZINC000599160380 521063150 /nfs/dbraw/zinc/06/31/50/521063150.db2.gz GWPJRYBWVXVRHU-LBPRGKRZSA-N 1 2 361.243 2.611 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1C#N ZINC000611347102 521110592 /nfs/dbraw/zinc/11/05/92/521110592.db2.gz HJSATZDJHIIANJ-DOTOQJQBSA-N 1 2 364.371 2.940 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1C#N ZINC000611347102 521110598 /nfs/dbraw/zinc/11/05/98/521110598.db2.gz HJSATZDJHIIANJ-DOTOQJQBSA-N 1 2 364.371 2.940 20 30 FFEDLO CN(C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)[C@@H]1CCC[C@H]1C#N ZINC000602067235 521119211 /nfs/dbraw/zinc/11/92/11/521119211.db2.gz LROWWUJWSINPFY-XJKSGUPXSA-N 1 2 365.437 2.540 20 30 FFEDLO CN(C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)[C@H]1CCC[C@@H]1C#N ZINC000602073993 521126571 /nfs/dbraw/zinc/12/65/71/521126571.db2.gz HSAKMZFGDQLETN-KDOFPFPSSA-N 1 2 364.405 2.963 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1coc(-c2ccccc2F)n1 ZINC000599308222 521140798 /nfs/dbraw/zinc/14/07/98/521140798.db2.gz REGSCMKBPCXBHB-UHFFFAOYSA-N 1 2 358.417 2.529 20 30 FFEDLO CC[C@H](C#N)C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000593698799 521164271 /nfs/dbraw/zinc/16/42/71/521164271.db2.gz SWMWZTTZMKJVKI-GFCCVEGCSA-N 1 2 365.231 2.817 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000602145155 521171316 /nfs/dbraw/zinc/17/13/16/521171316.db2.gz XSCZOSWULIEVQV-NHCUHLMSSA-N 1 2 361.445 2.945 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000602145155 521171330 /nfs/dbraw/zinc/17/13/30/521171330.db2.gz XSCZOSWULIEVQV-NHCUHLMSSA-N 1 2 361.445 2.945 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c(Br)c1 ZINC000611500531 521189651 /nfs/dbraw/zinc/18/96/51/521189651.db2.gz KEGSDSCMSCRSJF-HNNXBMFYSA-N 1 2 362.271 2.908 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)c(Br)c1 ZINC000611500531 521189658 /nfs/dbraw/zinc/18/96/58/521189658.db2.gz KEGSDSCMSCRSJF-HNNXBMFYSA-N 1 2 362.271 2.908 20 30 FFEDLO N#CC1(CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000596675218 521208256 /nfs/dbraw/zinc/20/82/56/521208256.db2.gz QQGOEBKHSHHCBQ-LJQANCHMSA-N 1 2 355.482 2.868 20 30 FFEDLO N#CC1(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000596675218 521208262 /nfs/dbraw/zinc/20/82/62/521208262.db2.gz QQGOEBKHSHHCBQ-LJQANCHMSA-N 1 2 355.482 2.868 20 30 FFEDLO Cc1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)nn1-c1cccc(C#N)c1 ZINC000611555919 521217236 /nfs/dbraw/zinc/21/72/36/521217236.db2.gz KVBGINOPJHYMQB-SFHVURJKSA-N 1 2 360.421 2.726 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccncc3Br)C2)nc1 ZINC000599430113 521218037 /nfs/dbraw/zinc/21/80/37/521218037.db2.gz WSPMMUKZKSOTFN-CQSZACIVSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccncc3Br)C2)nc1 ZINC000599430113 521218046 /nfs/dbraw/zinc/21/80/46/521218046.db2.gz WSPMMUKZKSOTFN-CQSZACIVSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1c(F)cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)cc1F ZINC000596727231 521247003 /nfs/dbraw/zinc/24/70/03/521247003.db2.gz IEZSOPMXJYJJEO-LJQANCHMSA-N 1 2 371.387 2.640 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000611622512 521254587 /nfs/dbraw/zinc/25/45/87/521254587.db2.gz SFEOTHUACVZYBJ-LJQANCHMSA-N 1 2 355.463 2.965 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000611622512 521254590 /nfs/dbraw/zinc/25/45/90/521254590.db2.gz SFEOTHUACVZYBJ-LJQANCHMSA-N 1 2 355.463 2.965 20 30 FFEDLO C[C@@H](C#N)CNC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000611635072 521259746 /nfs/dbraw/zinc/25/97/46/521259746.db2.gz NHMJFZZDCJKLSS-ZDUSSCGKSA-N 1 2 354.376 2.692 20 30 FFEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000618848259 521261731 /nfs/dbraw/zinc/26/17/31/521261731.db2.gz JCBJQYSNSULMCM-IBGZPJMESA-N 1 2 350.422 2.666 20 30 FFEDLO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cccc4nc[nH]c43)CC2)c1 ZINC000593885342 521271820 /nfs/dbraw/zinc/27/18/20/521271820.db2.gz CNAMDXSDPVCJSO-UHFFFAOYSA-N 1 2 359.433 2.829 20 30 FFEDLO C=CCCn1cc(C[S@@](=O)Cc2c[nH+]cn2Cc2ccccc2)nn1 ZINC000593937649 521302520 /nfs/dbraw/zinc/30/25/20/521302520.db2.gz VGFDWQYLOLYNLK-RUZDIDTESA-N 1 2 355.467 2.548 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c(C#N)c1C ZINC000593997486 521339385 /nfs/dbraw/zinc/33/93/85/521339385.db2.gz KBDZZJYVUCJFSI-DYVFJYSZSA-N 1 2 369.469 2.954 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c(C#N)c1C ZINC000593997486 521339392 /nfs/dbraw/zinc/33/93/92/521339392.db2.gz KBDZZJYVUCJFSI-DYVFJYSZSA-N 1 2 369.469 2.954 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)[NH+]2CCOCC2)c1 ZINC000612100068 521480018 /nfs/dbraw/zinc/48/00/18/521480018.db2.gz TUHAZNOOZQZJMS-FPOVZHCZSA-N 1 2 370.497 2.704 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(OC(F)(F)F)cc1 ZINC000615759722 521522193 /nfs/dbraw/zinc/52/21/93/521522193.db2.gz QRSBHTQTUSSGJY-JSGCOSHPSA-N 1 2 364.327 2.725 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1Br ZINC000615763787 521524092 /nfs/dbraw/zinc/52/40/92/521524092.db2.gz UHLCEHZZYWGJJX-FZMZJTMJSA-N 1 2 359.227 2.589 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000615787707 521530748 /nfs/dbraw/zinc/53/07/48/521530748.db2.gz UMZYLACICIWKNF-LPEHRKFASA-N 1 2 357.298 2.610 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000615787707 521530756 /nfs/dbraw/zinc/53/07/56/521530756.db2.gz UMZYLACICIWKNF-LPEHRKFASA-N 1 2 357.298 2.610 20 30 FFEDLO COc1cc(OC)c(C[NH+]2CCN(c3ccsc3C#N)CC2)c(OC)c1 ZINC000597181489 521561589 /nfs/dbraw/zinc/56/15/89/521561589.db2.gz HPOCEFKBKOBPMC-UHFFFAOYSA-N 1 2 373.478 2.968 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(OC(F)(F)F)cc1 ZINC000597183017 521563310 /nfs/dbraw/zinc/56/33/10/521563310.db2.gz FAHAYOGNUQASHT-WFASDCNBSA-N 1 2 364.327 2.725 20 30 FFEDLO C=Cn1cc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cn1 ZINC000597203642 521573161 /nfs/dbraw/zinc/57/31/61/521573161.db2.gz UCZZBVQSAQBHSQ-UHFFFAOYSA-N 1 2 359.437 2.568 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1cccc(CC#N)c1)c1ccccc1 ZINC000619474476 521587117 /nfs/dbraw/zinc/58/71/17/521587117.db2.gz QPYQYWLAKHPXGN-SFHVURJKSA-N 1 2 366.446 2.554 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[C@@](C)(C#N)C1)c1ccc(F)cc1 ZINC000612357705 521590423 /nfs/dbraw/zinc/59/04/23/521590423.db2.gz NBCBJRNVOUBWDG-LPHOPBHVSA-N 1 2 355.417 2.984 20 30 FFEDLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647466 521810679 /nfs/dbraw/zinc/81/06/79/521810679.db2.gz SIFZDCQIRUMVRZ-FXAWDEMLSA-N 1 2 372.488 2.799 20 30 FFEDLO C=C[C@H](C(=O)OC)N1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000619716150 521834623 /nfs/dbraw/zinc/83/46/23/521834623.db2.gz VPBLSZUMOUJIEW-QGZVFWFLSA-N 1 2 357.479 2.655 20 30 FFEDLO N#CC1(c2ccc(C(=O)NCc3nc(C[NH+]4CCCCC4)no3)cc2)CC1 ZINC000619873048 521915271 /nfs/dbraw/zinc/91/52/71/521915271.db2.gz WYTHQYIAQAEDSI-UHFFFAOYSA-N 1 2 365.437 2.541 20 30 FFEDLO C=CCCC(C)(C)CNC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000636499695 523024473 /nfs/dbraw/zinc/02/44/73/523024473.db2.gz BEEOOWIGXNZPJZ-UHFFFAOYSA-N 1 2 372.513 2.797 20 30 FFEDLO C=C(C)Cn1c(-c2cc(C)cs2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000624997897 523089255 /nfs/dbraw/zinc/08/92/55/523089255.db2.gz RXNWRIQXAMGDJR-UHFFFAOYSA-N 1 2 361.515 2.660 20 30 FFEDLO Cc1cnc(C(C)(C)[NH2+]CC#CCN2C(=O)c3ccccc3C2=O)s1 ZINC000625322305 523350096 /nfs/dbraw/zinc/35/00/96/523350096.db2.gz HCGKUTHNYZBGFY-UHFFFAOYSA-N 1 2 353.447 2.576 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+](CC)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000628119964 523353357 /nfs/dbraw/zinc/35/33/57/523353357.db2.gz RJIJPIRDCLLUMN-CQSZACIVSA-N 1 2 373.902 2.922 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+](CC)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000628119964 523353365 /nfs/dbraw/zinc/35/33/65/523353365.db2.gz RJIJPIRDCLLUMN-CQSZACIVSA-N 1 2 373.902 2.922 20 30 FFEDLO C=C(C)Cn1c(C2CCC2)n[n-]c1=[NH+]c1cnn(C2CC[NH+](C)CC2)c1 ZINC000634373111 523378152 /nfs/dbraw/zinc/37/81/52/523378152.db2.gz OSMXILNIQWINHS-UHFFFAOYSA-N 1 2 355.490 2.750 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1OC ZINC000628239896 523432356 /nfs/dbraw/zinc/43/23/56/523432356.db2.gz IJORCMSKWFURAJ-GOSISDBHSA-N 1 2 353.846 2.905 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCO[C@]3(CCOC3)C2)cc1OC ZINC000628239896 523432362 /nfs/dbraw/zinc/43/23/62/523432362.db2.gz IJORCMSKWFURAJ-GOSISDBHSA-N 1 2 353.846 2.905 20 30 FFEDLO C=CC(C)(C)CCNC(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000625536235 523513371 /nfs/dbraw/zinc/51/33/71/523513371.db2.gz KUBCWDAMMZLAAU-UHFFFAOYSA-N 1 2 360.502 2.620 20 30 FFEDLO C#CC[C@H]([NH2+]Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)c1ccccc1 ZINC000823838232 608516939 /nfs/dbraw/zinc/51/69/39/608516939.db2.gz MLWGGJJRHJZQSY-KRWDZBQOSA-N 1 2 371.404 2.771 20 30 FFEDLO NC(Cc1ccccc1)=[NH+]OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000047255611 728029536 /nfs/dbraw/zinc/02/95/36/728029536.db2.gz ZLVVPTGGTWMWCJ-UHFFFAOYSA-N 1 2 362.773 2.718 20 30 FFEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)c1=S ZINC000182834074 729289489 /nfs/dbraw/zinc/28/94/89/729289489.db2.gz ODEBNHVLWAATQQ-HNNXBMFYSA-N 1 2 364.515 2.910 20 30 FFEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c1=S ZINC000182834074 729289491 /nfs/dbraw/zinc/28/94/91/729289491.db2.gz ODEBNHVLWAATQQ-HNNXBMFYSA-N 1 2 364.515 2.910 20 30 FFEDLO C=CCC[C@H](O)C[NH+]1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000760809092 736670267 /nfs/dbraw/zinc/67/02/67/736670267.db2.gz YWBQNECXXYOIAC-JTQLQIEISA-N 1 2 350.331 2.831 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)nn1 ZINC000653609782 731277894 /nfs/dbraw/zinc/27/78/94/731277894.db2.gz DFKMCGBKSIVPRI-UHFFFAOYSA-N 1 2 354.380 2.907 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000884307048 733508995 /nfs/dbraw/zinc/50/89/95/733508995.db2.gz WSWYAQUQNIMEJM-HZMBPMFUSA-N 1 2 359.253 2.959 20 30 FFEDLO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)C[C@H](O)CC2(C#N)CCC2)n1 ZINC000886027827 733741158 /nfs/dbraw/zinc/74/11/58/733741158.db2.gz IVMCGSXJTRCHSR-LSDHHAIUSA-N 1 2 350.463 2.680 20 30 FFEDLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)C[C@H](O)CC2(C#N)CCC2)n1 ZINC000886027827 733741165 /nfs/dbraw/zinc/74/11/65/733741165.db2.gz IVMCGSXJTRCHSR-LSDHHAIUSA-N 1 2 350.463 2.680 20 30 FFEDLO C#CCN(CC)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782756652 738754150 /nfs/dbraw/zinc/75/41/50/738754150.db2.gz AEFDVMDERZNIAR-RDJZCZTQSA-N 1 2 353.388 2.904 20 30 FFEDLO C#CCN(CC)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782756652 738754153 /nfs/dbraw/zinc/75/41/53/738754153.db2.gz AEFDVMDERZNIAR-RDJZCZTQSA-N 1 2 353.388 2.904 20 30 FFEDLO C=CCC1(O)CC[NH+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 ZINC000886777024 733831867 /nfs/dbraw/zinc/83/18/67/733831867.db2.gz WJAKMRVAMNWXNT-UHFFFAOYSA-N 1 2 350.825 2.963 20 30 FFEDLO C[NH+](C)Cc1csc(CNc2ncc(Br)cc2C#N)n1 ZINC000722395386 734384535 /nfs/dbraw/zinc/38/45/35/734384535.db2.gz WGYSRJGSBJNZAF-UHFFFAOYSA-N 1 2 352.261 2.846 20 30 FFEDLO CN(C)c1ccc(C=[NH+]Nc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000726424361 734423000 /nfs/dbraw/zinc/42/30/00/734423000.db2.gz XESSXIHVTPHBCK-UHFFFAOYSA-N 1 2 358.467 2.639 20 30 FFEDLO CNS(=O)(=O)c1ccc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000783699745 738827529 /nfs/dbraw/zinc/82/75/29/738827529.db2.gz GRRMZGRIBBDQEZ-DAXSKMNVSA-N 1 2 373.459 2.738 20 30 FFEDLO COc1ccc(NC(=S)NN=Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000729640527 734588009 /nfs/dbraw/zinc/58/80/09/734588009.db2.gz CKHIUGGOFBADAX-UHFFFAOYSA-N 1 2 352.423 2.596 20 30 FFEDLO COc1ccc(NC(=S)NN=C2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000729641096 734588411 /nfs/dbraw/zinc/58/84/11/734588411.db2.gz RDKQPAULCQMGDM-UHFFFAOYSA-N 1 2 355.467 2.639 20 30 FFEDLO COc1ccc(NC(=S)NN=C2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000729641096 734588417 /nfs/dbraw/zinc/58/84/17/734588417.db2.gz RDKQPAULCQMGDM-UHFFFAOYSA-N 1 2 355.467 2.639 20 30 FFEDLO C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000733200975 734797564 /nfs/dbraw/zinc/79/75/64/734797564.db2.gz NIVCAWQOJPLJKT-HZPDHXFCSA-N 1 2 351.491 2.517 20 30 FFEDLO C#CC1(O)CC[NH+](Cc2cc(Br)c(OC)c(OCC)c2)CC1 ZINC000895379136 734997969 /nfs/dbraw/zinc/99/79/69/734997969.db2.gz KZMWLPXTVWTAQB-UHFFFAOYSA-N 1 2 368.271 2.817 20 30 FFEDLO N#Cc1cnc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c(Br)c1 ZINC000895564561 735024502 /nfs/dbraw/zinc/02/45/02/735024502.db2.gz KYNLUWSDQMJFAM-QWHCGFSZSA-N 1 2 353.289 2.707 20 30 FFEDLO N#Cc1cnc(N[C@H]2CCC[N@H+]3CCSC[C@H]23)c(Br)c1 ZINC000895564561 735024506 /nfs/dbraw/zinc/02/45/06/735024506.db2.gz KYNLUWSDQMJFAM-QWHCGFSZSA-N 1 2 353.289 2.707 20 30 FFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000765843422 737165981 /nfs/dbraw/zinc/16/59/81/737165981.db2.gz TWOMKGMKTGDHGE-KBXCAEBGSA-N 1 2 355.463 2.559 20 30 FFEDLO N#Cc1ccc(NC(=O)CC[NH+]2CC(O)(c3ccc(Cl)cc3)C2)cc1 ZINC000787685124 739158361 /nfs/dbraw/zinc/15/83/61/739158361.db2.gz CFBWKFKLKBNYQF-UHFFFAOYSA-N 1 2 355.825 2.744 20 30 FFEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000931145058 739218574 /nfs/dbraw/zinc/21/85/74/739218574.db2.gz BHRCDDDFTNPZCO-UHFFFAOYSA-N 1 2 360.763 2.757 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)CCOc2ccc(Cl)c(F)c2)n1 ZINC000789323844 739337781 /nfs/dbraw/zinc/33/77/81/739337781.db2.gz UTASTDATECZBBN-UHFFFAOYSA-N 1 2 365.836 2.836 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)CCOc2ccc(Cl)c(F)c2)n1 ZINC000789323844 739337783 /nfs/dbraw/zinc/33/77/83/739337783.db2.gz UTASTDATECZBBN-UHFFFAOYSA-N 1 2 365.836 2.836 20 30 FFEDLO Cn1ccc([C@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000932138518 739393903 /nfs/dbraw/zinc/39/39/03/739393903.db2.gz WRNHPCHASULTTD-AWEZNQCLSA-N 1 2 357.845 2.763 20 30 FFEDLO Cn1ccc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000932138518 739393904 /nfs/dbraw/zinc/39/39/04/739393904.db2.gz WRNHPCHASULTTD-AWEZNQCLSA-N 1 2 357.845 2.763 20 30 FFEDLO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945999 739542197 /nfs/dbraw/zinc/54/21/97/739542197.db2.gz KYTJWTQXNKAGIZ-OCAPTIKFSA-N 1 2 368.268 2.614 20 30 FFEDLO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945999 739542201 /nfs/dbraw/zinc/54/22/01/739542201.db2.gz KYTJWTQXNKAGIZ-OCAPTIKFSA-N 1 2 368.268 2.614 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cscn2)CC1(C)C ZINC000941092046 740199638 /nfs/dbraw/zinc/19/96/38/740199638.db2.gz AAPUTFGDDHGSNV-ULQDDVLXSA-N 1 2 363.527 2.841 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cscn2)CC1(C)C ZINC000941092046 740199639 /nfs/dbraw/zinc/19/96/39/740199639.db2.gz AAPUTFGDDHGSNV-ULQDDVLXSA-N 1 2 363.527 2.841 20 30 FFEDLO Cc1[nH+]c(C(C)N=Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)cn1C ZINC000800810895 740550533 /nfs/dbraw/zinc/55/05/33/740550533.db2.gz YULKSYSVMNTPRL-UHFFFAOYSA-N 1 2 360.361 2.858 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncc(C)s1 ZINC000960648953 740621496 /nfs/dbraw/zinc/62/14/96/740621496.db2.gz VTTYGNQVJQEVOJ-ZACQAIPSSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncc(C)s1 ZINC000960648953 740621497 /nfs/dbraw/zinc/62/14/97/740621497.db2.gz VTTYGNQVJQEVOJ-ZACQAIPSSA-N 1 2 363.527 2.856 20 30 FFEDLO CC(C)(C)SCCON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000802730555 740722005 /nfs/dbraw/zinc/72/20/05/740722005.db2.gz XEJIHRHKQLEFJJ-UHFFFAOYSA-N 1 2 351.516 2.687 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC000971555253 740787132 /nfs/dbraw/zinc/78/71/32/740787132.db2.gz AXBQOBAXDPREQM-ZACQAIPSSA-N 1 2 363.527 2.719 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC000971555253 740787134 /nfs/dbraw/zinc/78/71/34/740787134.db2.gz AXBQOBAXDPREQM-ZACQAIPSSA-N 1 2 363.527 2.719 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC000972526556 740834098 /nfs/dbraw/zinc/83/40/98/740834098.db2.gz HMRGDHPVZVQKSW-BQFCYCMXSA-N 1 2 363.527 2.719 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC000972526556 740834103 /nfs/dbraw/zinc/83/41/03/740834103.db2.gz HMRGDHPVZVQKSW-BQFCYCMXSA-N 1 2 363.527 2.719 20 30 FFEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc(Cl)cc1F ZINC000805136069 740944063 /nfs/dbraw/zinc/94/40/63/740944063.db2.gz BDIFEDJFUGQKOA-MRXNPFEDSA-N 1 2 367.852 2.563 20 30 FFEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc(Cl)cc1F ZINC000805136069 740944065 /nfs/dbraw/zinc/94/40/65/740944065.db2.gz BDIFEDJFUGQKOA-MRXNPFEDSA-N 1 2 367.852 2.563 20 30 FFEDLO C#C[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000811898976 741571881 /nfs/dbraw/zinc/57/18/81/741571881.db2.gz XCYYIQBSNANFPO-IRXDYDNUSA-N 1 2 354.841 2.987 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C)O3)CCC[C@@H]12 ZINC000992252944 741746894 /nfs/dbraw/zinc/74/68/94/741746894.db2.gz VNPRVFWHPAZFCY-KQTLUZQSSA-N 1 2 357.292 2.576 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C)O3)CCC[C@@H]12 ZINC000992252944 741746897 /nfs/dbraw/zinc/74/68/97/741746897.db2.gz VNPRVFWHPAZFCY-KQTLUZQSSA-N 1 2 357.292 2.576 20 30 FFEDLO CCC(=[NH+]Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1cccc(N)c1 ZINC000814828230 741868285 /nfs/dbraw/zinc/86/82/85/741868285.db2.gz SVHZAWPMXTXZAM-UHFFFAOYSA-N 1 2 358.467 2.936 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](CC(=C)Br)CC1 ZINC001005406071 742253912 /nfs/dbraw/zinc/25/39/12/742253912.db2.gz IJECKLGJFYKVJV-CVEARBPZSA-N 1 2 371.319 2.799 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001007523866 742339002 /nfs/dbraw/zinc/33/90/02/742339002.db2.gz DTLBZUKIJINSPT-BBWFWOEESA-N 1 2 367.921 2.501 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001007523866 742339007 /nfs/dbraw/zinc/33/90/07/742339007.db2.gz DTLBZUKIJINSPT-BBWFWOEESA-N 1 2 367.921 2.501 20 30 FFEDLO CCOc1cc(Br)c(F)cc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000819487455 742397062 /nfs/dbraw/zinc/39/70/62/742397062.db2.gz NIADMTRLRJMXQH-NSHDSACASA-N 1 2 374.254 2.605 20 30 FFEDLO CCOc1cc(Br)c(F)cc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000819487455 742397068 /nfs/dbraw/zinc/39/70/68/742397068.db2.gz NIADMTRLRJMXQH-NSHDSACASA-N 1 2 374.254 2.605 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001014472413 742468312 /nfs/dbraw/zinc/46/83/12/742468312.db2.gz WBQQOAUZCRESGV-KYJSFNMBSA-N 1 2 364.873 2.717 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001014472413 742468316 /nfs/dbraw/zinc/46/83/16/742468316.db2.gz WBQQOAUZCRESGV-KYJSFNMBSA-N 1 2 364.873 2.717 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nsc3ccccc23)C1 ZINC001015725985 742479645 /nfs/dbraw/zinc/47/96/45/742479645.db2.gz HKASBSYHAZJIKP-LXZKKBNFSA-N 1 2 357.479 2.578 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nsc3ccccc23)C1 ZINC001015725985 742479648 /nfs/dbraw/zinc/47/96/48/742479648.db2.gz HKASBSYHAZJIKP-LXZKKBNFSA-N 1 2 357.479 2.578 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001015828670 742484489 /nfs/dbraw/zinc/48/44/89/742484489.db2.gz JQRDXJDRRUYIKK-DEYYWGMASA-N 1 2 350.409 2.637 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001015828670 742484491 /nfs/dbraw/zinc/48/44/91/742484491.db2.gz JQRDXJDRRUYIKK-DEYYWGMASA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC(=C)Br)C1 ZINC001034211535 742911809 /nfs/dbraw/zinc/91/18/09/742911809.db2.gz BLMVQSRPIOBPLH-OAGGEKHMSA-N 1 2 371.319 2.847 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC(=C)Br)C1 ZINC001034211535 742911814 /nfs/dbraw/zinc/91/18/14/742911814.db2.gz BLMVQSRPIOBPLH-OAGGEKHMSA-N 1 2 371.319 2.847 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(Cl)c(OC)c1 ZINC001038714463 742978786 /nfs/dbraw/zinc/97/87/86/742978786.db2.gz PSWINEHAVYIZMS-INMHGKMJSA-N 1 2 364.873 2.630 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(Cl)c(OC)c1 ZINC001038714463 742978790 /nfs/dbraw/zinc/97/87/90/742978790.db2.gz PSWINEHAVYIZMS-INMHGKMJSA-N 1 2 364.873 2.630 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](C/C(Cl)=C\Cl)C2)C1 ZINC001041696248 743050891 /nfs/dbraw/zinc/05/08/91/743050891.db2.gz MPVWMNZQXOSYKH-ZNDWEPCNSA-N 1 2 359.297 2.821 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](C/C(Cl)=C\Cl)C2)C1 ZINC001041696248 743050900 /nfs/dbraw/zinc/05/09/00/743050900.db2.gz MPVWMNZQXOSYKH-ZNDWEPCNSA-N 1 2 359.297 2.821 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1OCC[C@H]1CC ZINC001049527850 743468788 /nfs/dbraw/zinc/46/87/88/743468788.db2.gz WCLYIERMKZBSBC-QXSJWSMHSA-N 1 2 371.319 2.775 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1OCC[C@H]1CC ZINC001049527850 743468791 /nfs/dbraw/zinc/46/87/91/743468791.db2.gz WCLYIERMKZBSBC-QXSJWSMHSA-N 1 2 371.319 2.775 20 30 FFEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)O2 ZINC001053610253 744991123 /nfs/dbraw/zinc/99/11/23/744991123.db2.gz KMIKKITVYQNBIE-RRFJBIMHSA-N 1 2 360.420 2.891 20 30 FFEDLO C#CC[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000829810877 745263397 /nfs/dbraw/zinc/26/33/97/745263397.db2.gz VMNOBNBELVAKLS-OAHLLOKOSA-N 1 2 358.463 2.980 20 30 FFEDLO C#CC[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000829810877 745263400 /nfs/dbraw/zinc/26/34/00/745263400.db2.gz VMNOBNBELVAKLS-OAHLLOKOSA-N 1 2 358.463 2.980 20 30 FFEDLO CN(C)c1ccc(NC(=S)NN=C2CCCc3[nH+]c(N)ccc32)cc1 ZINC000834955919 745927954 /nfs/dbraw/zinc/92/79/54/745927954.db2.gz JQLKKPUUDATWMM-UHFFFAOYSA-N 1 2 354.483 2.757 20 30 FFEDLO CC(C)(C[NH+]1CCOCC1)NC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000840862137 747204403 /nfs/dbraw/zinc/20/44/03/747204403.db2.gz SQIMBZSXHBSJHF-UHFFFAOYSA-N 1 2 352.891 2.609 20 30 FFEDLO Cc1cc(N(C)C)ccc1C=[NH+]Nc1ccccc1S(=O)(=O)N(C)C ZINC000841642196 747423322 /nfs/dbraw/zinc/42/33/22/747423322.db2.gz JSCWRSPJDXAEBE-UHFFFAOYSA-N 1 2 360.483 2.757 20 30 FFEDLO Fc1cc2c(cc1Br)C(=NNCCCn1cc[nH+]c1)CO2 ZINC000848416504 748920809 /nfs/dbraw/zinc/92/08/09/748920809.db2.gz NIXJFKNFDUHROG-UHFFFAOYSA-N 1 2 353.195 2.561 20 30 FFEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H](O)c2ccccn2)CC1 ZINC000851999593 749748034 /nfs/dbraw/zinc/74/80/34/749748034.db2.gz NFMXFEAPVSUINI-MOPGFXCFSA-N 1 2 356.857 2.651 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2cc(Br)cnc2C#N)CC1 ZINC000853337046 750049951 /nfs/dbraw/zinc/04/99/51/750049951.db2.gz BUXZUSFJOYMQOU-ZDUSSCGKSA-N 1 2 372.270 2.994 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CCCCC1 ZINC001105023982 971375220 /nfs/dbraw/zinc/37/52/20/971375220.db2.gz ISMAGQYMJACIBY-KURKYZTESA-N 1 2 358.486 2.853 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C(F)C(F)(F)F)C[C@@H]3C2)c1 ZINC001087972988 971413599 /nfs/dbraw/zinc/41/35/99/971413599.db2.gz FDNIVJSVIUFYMY-OWCLPIDISA-N 1 2 369.362 2.739 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)C(F)(F)F)C[C@@H]3C2)c1 ZINC001087972988 971413615 /nfs/dbraw/zinc/41/36/15/971413615.db2.gz FDNIVJSVIUFYMY-OWCLPIDISA-N 1 2 369.362 2.739 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](F)C(F)(F)F)C[C@@H]3C2)c1 ZINC001087972988 971413619 /nfs/dbraw/zinc/41/36/19/971413619.db2.gz FDNIVJSVIUFYMY-OWCLPIDISA-N 1 2 369.362 2.739 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](F)C(F)(F)F)C[C@@H]3C2)c1 ZINC001087972988 971413625 /nfs/dbraw/zinc/41/36/25/971413625.db2.gz FDNIVJSVIUFYMY-OWCLPIDISA-N 1 2 369.362 2.739 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141902877 971621629 /nfs/dbraw/zinc/62/16/29/971621629.db2.gz HGVBHIMDMZZTHR-SMDDNHRTSA-N 1 2 351.244 2.952 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141902877 971621634 /nfs/dbraw/zinc/62/16/34/971621634.db2.gz HGVBHIMDMZZTHR-SMDDNHRTSA-N 1 2 351.244 2.952 20 30 FFEDLO Cc1nn2c(C[N@@H+]3CCC[C@@H](Nc4ccc(C#N)cn4)C3)c(C)nc2s1 ZINC000896654474 971652974 /nfs/dbraw/zinc/65/29/74/971652974.db2.gz LVRSHJYVXLDDAC-OAHLLOKOSA-N 1 2 367.482 2.751 20 30 FFEDLO Cc1nn2c(C[N@H+]3CCC[C@@H](Nc4ccc(C#N)cn4)C3)c(C)nc2s1 ZINC000896654474 971652979 /nfs/dbraw/zinc/65/29/79/971652979.db2.gz LVRSHJYVXLDDAC-OAHLLOKOSA-N 1 2 367.482 2.751 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001208964199 959894514 /nfs/dbraw/zinc/89/45/14/959894514.db2.gz VZDXXSQFMLEDKX-SJLPKXTDSA-N 1 2 357.498 2.972 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001208964199 959894523 /nfs/dbraw/zinc/89/45/23/959894523.db2.gz VZDXXSQFMLEDKX-SJLPKXTDSA-N 1 2 357.498 2.972 20 30 FFEDLO CCCCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(C#N)ccc1F)C2 ZINC001275945819 1013215447 /nfs/dbraw/zinc/21/54/47/1013215447.db2.gz NJFFYEZJQAKBRC-HXUWFJFHSA-N 1 2 359.445 2.548 20 30 FFEDLO CCCCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(C#N)ccc1F)C2 ZINC001275945819 1013215451 /nfs/dbraw/zinc/21/54/51/1013215451.db2.gz NJFFYEZJQAKBRC-HXUWFJFHSA-N 1 2 359.445 2.548 20 30 FFEDLO N#Cc1cc(C(F)(F)F)ccc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001174492298 1013222258 /nfs/dbraw/zinc/22/22/58/1013222258.db2.gz ABRHLVNUKTVJDL-UHFFFAOYSA-N 1 2 365.359 2.849 20 30 FFEDLO CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(Cl)c1C#N ZINC001275956477 1013226252 /nfs/dbraw/zinc/22/62/52/1013226252.db2.gz HQSVLSCLQWSQHM-QZTJIDSGSA-N 1 2 361.873 2.813 20 30 FFEDLO CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(Cl)c1C#N ZINC001275956477 1013226260 /nfs/dbraw/zinc/22/62/60/1013226260.db2.gz HQSVLSCLQWSQHM-QZTJIDSGSA-N 1 2 361.873 2.813 20 30 FFEDLO C#CCN1CCC2(CC[NH+](Cc3c(Cl)cncc3Cl)CC2)C1=O ZINC001275969213 1013243757 /nfs/dbraw/zinc/24/37/57/1013243757.db2.gz DCCWLBAJLUHMBN-UHFFFAOYSA-N 1 2 352.265 2.836 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(Cc2cccc(C#N)c2)CC1=O ZINC000121079419 961815253 /nfs/dbraw/zinc/81/52/53/961815253.db2.gz IIHWSFWQVXRTGN-UHFFFAOYSA-N 1 2 357.417 2.718 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(c3ccccn3)C[C@H]1C)C2 ZINC001095428183 1013335649 /nfs/dbraw/zinc/33/56/49/1013335649.db2.gz JUNBXTQHTISJCG-XABWRGDLSA-N 1 2 374.916 2.628 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(c3ccccn3)C[C@H]1C)C2 ZINC001095428183 1013335657 /nfs/dbraw/zinc/33/56/57/1013335657.db2.gz JUNBXTQHTISJCG-XABWRGDLSA-N 1 2 374.916 2.628 20 30 FFEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)OCC1=O ZINC001276044490 1013357045 /nfs/dbraw/zinc/35/70/45/1013357045.db2.gz BHHITBMPPZUOSK-QGZVFWFLSA-N 1 2 372.362 2.834 20 30 FFEDLO C=CCN1C[C@]2(CC[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)OCC1=O ZINC001276044490 1013357051 /nfs/dbraw/zinc/35/70/51/1013357051.db2.gz BHHITBMPPZUOSK-QGZVFWFLSA-N 1 2 372.362 2.834 20 30 FFEDLO C=CCOc1ccccc1[C@H](C)NC(=O)c1cc2n(n1)CCC[N@H+](C)C2 ZINC001175104890 1013382263 /nfs/dbraw/zinc/38/22/63/1013382263.db2.gz QCKBMCTUNWFEKE-HNNXBMFYSA-N 1 2 354.454 2.774 20 30 FFEDLO C=CCOc1ccccc1[C@H](C)NC(=O)c1cc2n(n1)CCC[N@@H+](C)C2 ZINC001175104890 1013382273 /nfs/dbraw/zinc/38/22/73/1013382273.db2.gz QCKBMCTUNWFEKE-HNNXBMFYSA-N 1 2 354.454 2.774 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(C(F)(F)F)ccn1 ZINC001276078057 1013409638 /nfs/dbraw/zinc/40/96/38/1013409638.db2.gz ZEFFRCTUDHWFPW-KRWDZBQOSA-N 1 2 351.372 2.691 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C(F)(F)F)ccn1 ZINC001276078057 1013409644 /nfs/dbraw/zinc/40/96/44/1013409644.db2.gz ZEFFRCTUDHWFPW-KRWDZBQOSA-N 1 2 351.372 2.691 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(F)c1 ZINC001110183510 1013420434 /nfs/dbraw/zinc/42/04/34/1013420434.db2.gz WWPDUBPWSGHWAE-YENGBRFLSA-N 1 2 350.409 2.777 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(F)c1 ZINC001110183510 1013420438 /nfs/dbraw/zinc/42/04/38/1013420438.db2.gz WWPDUBPWSGHWAE-YENGBRFLSA-N 1 2 350.409 2.777 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC000960649881 1013441336 /nfs/dbraw/zinc/44/13/36/1013441336.db2.gz ZEMJUEOCNPYYAA-KSZLIROESA-N 1 2 361.486 2.695 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc(C)c(C)o1 ZINC000960649881 1013441340 /nfs/dbraw/zinc/44/13/40/1013441340.db2.gz ZEMJUEOCNPYYAA-KSZLIROESA-N 1 2 361.486 2.695 20 30 FFEDLO Cc1ccc(N2CC[C@H]([NH+]3CCN(c4ccc(C#N)cc4)CC3)C2=O)cc1 ZINC001175444877 1013481961 /nfs/dbraw/zinc/48/19/61/1013481961.db2.gz QCRUSLKVKOIAFO-NRFANRHFSA-N 1 2 360.461 2.794 20 30 FFEDLO N#CCCCN1CC[C@]2(CC[N@@H+](Cc3csc(C(F)(F)F)n3)C2)C1=O ZINC001276122008 1013484527 /nfs/dbraw/zinc/48/45/27/1013484527.db2.gz XYXNDAHROLVBHH-HNNXBMFYSA-N 1 2 372.416 2.890 20 30 FFEDLO N#CCCCN1CC[C@]2(CC[N@H+](Cc3csc(C(F)(F)F)n3)C2)C1=O ZINC001276122008 1013484529 /nfs/dbraw/zinc/48/45/29/1013484529.db2.gz XYXNDAHROLVBHH-HNNXBMFYSA-N 1 2 372.416 2.890 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2ocnc2C)C1 ZINC001087470525 965352420 /nfs/dbraw/zinc/35/24/20/965352420.db2.gz ITLORWRNRHADBY-OALUTQOASA-N 1 2 367.449 2.603 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2ocnc2C)C1 ZINC001087470525 965352428 /nfs/dbraw/zinc/35/24/28/965352428.db2.gz ITLORWRNRHADBY-OALUTQOASA-N 1 2 367.449 2.603 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001270756376 965878419 /nfs/dbraw/zinc/87/84/19/965878419.db2.gz KMSDTKSYUFFJOB-FQEVSTJZSA-N 1 2 352.438 2.736 20 30 FFEDLO COc1cnc([C@H]2CCC[N@@H+]2CCCOc2ccc(C#N)cc2)[nH]c1=O ZINC000934276371 966189464 /nfs/dbraw/zinc/18/94/64/966189464.db2.gz MDJCEBUAAQFVQV-MRXNPFEDSA-N 1 2 354.410 2.668 20 30 FFEDLO COc1cnc([C@H]2CCC[N@H+]2CCCOc2ccc(C#N)cc2)[nH]c1=O ZINC000934276371 966189473 /nfs/dbraw/zinc/18/94/73/966189473.db2.gz MDJCEBUAAQFVQV-MRXNPFEDSA-N 1 2 354.410 2.668 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cccc4ncccc34)CC2)cc1 ZINC000873816663 1013646888 /nfs/dbraw/zinc/64/68/88/1013646888.db2.gz JVRQSFBFKSORGG-UHFFFAOYSA-N 1 2 370.456 2.993 20 30 FFEDLO C=CCN1CC[C@@H](N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1=O ZINC000684999291 966825328 /nfs/dbraw/zinc/82/53/28/966825328.db2.gz FDDPDHNNKGOZSW-QGZVFWFLSA-N 1 2 367.415 2.610 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+](CCNC(=O)[C@]23CCC[C@H]2OCC3)C2CC2)c1 ZINC001267329000 967899812 /nfs/dbraw/zinc/89/98/12/967899812.db2.gz APQFXAFXGDJEFQ-CTNGQTDRSA-N 1 2 371.456 2.737 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+](CCNC(=O)[C@]23CCC[C@H]2OCC3)C2CC2)c1 ZINC001267329000 967899824 /nfs/dbraw/zinc/89/98/24/967899824.db2.gz APQFXAFXGDJEFQ-CTNGQTDRSA-N 1 2 371.456 2.737 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)c(C)c3)C2)C1 ZINC000972584856 967911020 /nfs/dbraw/zinc/91/10/20/967911020.db2.gz CMJJOTSMLQZIOB-QZNHQXDQSA-N 1 2 366.505 2.734 20 30 FFEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)c(C)c3)C2)C1 ZINC000972584856 967911024 /nfs/dbraw/zinc/91/10/24/967911024.db2.gz CMJJOTSMLQZIOB-QZNHQXDQSA-N 1 2 366.505 2.734 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2n[nH]cc2C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087565267 968161494 /nfs/dbraw/zinc/16/14/94/968161494.db2.gz PGSOIQQCVVCLAO-DLBZAZTESA-N 1 2 355.417 2.512 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2n[nH]cc2C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087565267 968161498 /nfs/dbraw/zinc/16/14/98/968161498.db2.gz PGSOIQQCVVCLAO-DLBZAZTESA-N 1 2 355.417 2.512 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccnn2C(C)C)[C@H]1CC ZINC001087585897 968294668 /nfs/dbraw/zinc/29/46/68/968294668.db2.gz DWSUPDMIGXFXNM-UONOGXRCSA-N 1 2 369.307 2.955 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccnn2C(C)C)[C@H]1CC ZINC001087585897 968294677 /nfs/dbraw/zinc/29/46/77/968294677.db2.gz DWSUPDMIGXFXNM-UONOGXRCSA-N 1 2 369.307 2.955 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncccn3)[C@@H]2CC)cc1 ZINC001087628325 968415041 /nfs/dbraw/zinc/41/50/41/968415041.db2.gz NPCLVQIQVVWXGN-RBUKOAKNSA-N 1 2 366.465 2.824 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncccn3)[C@@H]2CC)cc1 ZINC001087628325 968415046 /nfs/dbraw/zinc/41/50/46/968415046.db2.gz NPCLVQIQVVWXGN-RBUKOAKNSA-N 1 2 366.465 2.824 20 30 FFEDLO CON=Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000255695543 968663028 /nfs/dbraw/zinc/66/30/28/968663028.db2.gz SSGOIVOIYPOFHW-UHFFFAOYSA-N 1 2 352.438 2.982 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001058572059 968669854 /nfs/dbraw/zinc/66/98/54/968669854.db2.gz XRRARRJCJXYLJP-RYRKJORJSA-N 1 2 358.486 2.585 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)n3C3CC3)[C@@H]2CC)C1 ZINC001087714619 968705032 /nfs/dbraw/zinc/70/50/32/968705032.db2.gz XBPBNMYVWLWOTA-DLBZAZTESA-N 1 2 357.502 2.747 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)n3C3CC3)[C@@H]2CC)C1 ZINC001087714619 968705038 /nfs/dbraw/zinc/70/50/38/968705038.db2.gz XBPBNMYVWLWOTA-DLBZAZTESA-N 1 2 357.502 2.747 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cccc(OC)n2)[C@H]1CC ZINC001087780947 969036737 /nfs/dbraw/zinc/03/67/37/969036737.db2.gz IVHKFFCKNWNQQY-GXTWGEPZSA-N 1 2 368.275 2.582 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cccc(OC)n2)[C@H]1CC ZINC001087780947 969036745 /nfs/dbraw/zinc/03/67/45/969036745.db2.gz IVHKFFCKNWNQQY-GXTWGEPZSA-N 1 2 368.275 2.582 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2nocc2C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087787130 969049732 /nfs/dbraw/zinc/04/97/32/969049732.db2.gz JHAFSCLNQXLASM-DLBZAZTESA-N 1 2 356.401 2.777 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2nocc2C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087787130 969049737 /nfs/dbraw/zinc/04/97/37/969049737.db2.gz JHAFSCLNQXLASM-DLBZAZTESA-N 1 2 356.401 2.777 20 30 FFEDLO CCCN(C(=O)[C@]12C[C@H]1COC2)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001267541925 969355476 /nfs/dbraw/zinc/35/54/76/969355476.db2.gz LKHHFMZVYCKGRC-DSKINZAPSA-N 1 2 371.456 2.547 20 30 FFEDLO CCCN(C(=O)[C@]12C[C@H]1COC2)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001267541925 969355485 /nfs/dbraw/zinc/35/54/85/969355485.db2.gz LKHHFMZVYCKGRC-DSKINZAPSA-N 1 2 371.456 2.547 20 30 FFEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c[nH+]c12 ZINC000125276369 1013957071 /nfs/dbraw/zinc/95/70/71/1013957071.db2.gz IXBUXCJATGOHIW-DHZHZOJOSA-N 1 2 369.446 2.789 20 30 FFEDLO CC(=O)c1cncc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000895526532 970701721 /nfs/dbraw/zinc/70/17/21/970701721.db2.gz OALLZGOSSURFOG-UHFFFAOYSA-N 1 2 362.433 2.504 20 30 FFEDLO CC(=O)c1cncc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000895526532 970701723 /nfs/dbraw/zinc/70/17/23/970701723.db2.gz OALLZGOSSURFOG-UHFFFAOYSA-N 1 2 362.433 2.504 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@](C)(C(F)F)C2)c(OC)c1 ZINC000662373894 975462333 /nfs/dbraw/zinc/46/23/33/975462333.db2.gz KUKFIZBQGBGZCY-BEFAXECRSA-N 1 2 371.424 2.519 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@](C)(C(F)F)C2)c(OC)c1 ZINC000662373894 975462343 /nfs/dbraw/zinc/46/23/43/975462343.db2.gz KUKFIZBQGBGZCY-BEFAXECRSA-N 1 2 371.424 2.519 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2c(OC)cccc2OC)[C@H]1C ZINC001088712466 975490805 /nfs/dbraw/zinc/49/08/05/975490805.db2.gz MQTQKCFFAPPNLA-HIFRSBDPSA-N 1 2 352.862 2.578 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2c(OC)cccc2OC)[C@H]1C ZINC001088712466 975490808 /nfs/dbraw/zinc/49/08/08/975490808.db2.gz MQTQKCFFAPPNLA-HIFRSBDPSA-N 1 2 352.862 2.578 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3coc(-c4cccnc4)n3)[C@@H]2C1 ZINC001075991996 975990989 /nfs/dbraw/zinc/99/09/89/975990989.db2.gz FVPIVCJCNXYUKN-GOEBONIOSA-N 1 2 358.829 2.635 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3coc(-c4cccnc4)n3)[C@@H]2C1 ZINC001075991996 975991000 /nfs/dbraw/zinc/99/10/00/975991000.db2.gz FVPIVCJCNXYUKN-GOEBONIOSA-N 1 2 358.829 2.635 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001028038688 976296907 /nfs/dbraw/zinc/29/69/07/976296907.db2.gz AGODRUROGRWPLP-AQNXPRMDSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001028038688 976296915 /nfs/dbraw/zinc/29/69/15/976296915.db2.gz AGODRUROGRWPLP-AQNXPRMDSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cc3c(cc[nH]c3=O)o2)CC1 ZINC000876613012 1014323928 /nfs/dbraw/zinc/32/39/28/1014323928.db2.gz FHLITIGPSWFBND-UHFFFAOYSA-N 1 2 352.369 2.866 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2OCCCCO)c1 ZINC000876622329 1014328787 /nfs/dbraw/zinc/32/87/87/1014328787.db2.gz VFIHUFQLQSXPEY-UHFFFAOYSA-N 1 2 366.461 2.890 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2OCCCCO)c1 ZINC000876622329 1014328795 /nfs/dbraw/zinc/32/87/95/1014328795.db2.gz VFIHUFQLQSXPEY-UHFFFAOYSA-N 1 2 366.461 2.890 20 30 FFEDLO N#Cc1ccccc1OCc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)o1 ZINC000898490522 976496986 /nfs/dbraw/zinc/49/69/86/976496986.db2.gz SLGQIYZLUVTNPD-INIZCTEOSA-N 1 2 371.412 2.894 20 30 FFEDLO N#Cc1ccccc1OCc1ccc(C(=O)N[C@H]2CCC[N@H+](CCF)C2)o1 ZINC000898490522 976496991 /nfs/dbraw/zinc/49/69/91/976496991.db2.gz SLGQIYZLUVTNPD-INIZCTEOSA-N 1 2 371.412 2.894 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3coc(-c4cccs4)n3)C[C@H]21 ZINC001075616004 977314144 /nfs/dbraw/zinc/31/41/44/977314144.db2.gz GMSPUJDIMGWHGR-KCQAQPDRSA-N 1 2 356.451 2.595 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3coc(-c4cccs4)n3)C[C@H]21 ZINC001075616004 977314151 /nfs/dbraw/zinc/31/41/51/977314151.db2.gz GMSPUJDIMGWHGR-KCQAQPDRSA-N 1 2 356.451 2.595 20 30 FFEDLO C=C(Cl)CN1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001087443990 977596883 /nfs/dbraw/zinc/59/68/83/977596883.db2.gz QSSTZNPHSHLERP-QZTJIDSGSA-N 1 2 358.873 2.610 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccncc2F)C1 ZINC001087454034 977756498 /nfs/dbraw/zinc/75/64/98/977756498.db2.gz XVBFFGLNIDQJSW-VQIMIIECSA-N 1 2 355.388 2.581 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccncc2F)C1 ZINC001087454034 977756504 /nfs/dbraw/zinc/75/65/04/977756504.db2.gz XVBFFGLNIDQJSW-VQIMIIECSA-N 1 2 355.388 2.581 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CCC1CCCC1 ZINC001211791183 977902091 /nfs/dbraw/zinc/90/20/91/977902091.db2.gz PHMLBRNORMOLCR-QZTJIDSGSA-N 1 2 361.511 2.906 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CCC1CCCC1 ZINC001211791183 977902096 /nfs/dbraw/zinc/90/20/96/977902096.db2.gz PHMLBRNORMOLCR-QZTJIDSGSA-N 1 2 361.511 2.906 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ocnc2C)C1 ZINC001087463606 978227777 /nfs/dbraw/zinc/22/77/77/978227777.db2.gz RSAOJXDAIZMTPC-QZTJIDSGSA-N 1 2 355.413 2.733 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ocnc2C)C1 ZINC001087463606 978227780 /nfs/dbraw/zinc/22/77/80/978227780.db2.gz RSAOJXDAIZMTPC-QZTJIDSGSA-N 1 2 355.413 2.733 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)Cc2nn(CC)cc21 ZINC001137116945 1014482176 /nfs/dbraw/zinc/48/21/76/1014482176.db2.gz WJENQGPCOKDWIW-KRWDZBQOSA-N 1 2 354.454 2.941 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)Cc2nn(CC)cc21 ZINC001137116945 1014482184 /nfs/dbraw/zinc/48/21/84/1014482184.db2.gz WJENQGPCOKDWIW-KRWDZBQOSA-N 1 2 354.454 2.941 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)c(C)n3)[C@@H]2C1 ZINC001076047839 979061970 /nfs/dbraw/zinc/06/19/70/979061970.db2.gz GYKWGCGTGJLARI-GOEBONIOSA-N 1 2 364.287 2.753 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)c(C)n3)[C@@H]2C1 ZINC001076047839 979061975 /nfs/dbraw/zinc/06/19/75/979061975.db2.gz GYKWGCGTGJLARI-GOEBONIOSA-N 1 2 364.287 2.753 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)c4nc(CC)no4)C[C@H]32)cc1 ZINC001076119492 979127841 /nfs/dbraw/zinc/12/78/41/979127841.db2.gz MZHHYQRIXLQLML-FHLIZLRMSA-N 1 2 364.449 2.521 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)c4nc(CC)no4)C[C@H]32)cc1 ZINC001076119492 979127846 /nfs/dbraw/zinc/12/78/46/979127846.db2.gz MZHHYQRIXLQLML-FHLIZLRMSA-N 1 2 364.449 2.521 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)[nH]c3C)[C@@H]2C1 ZINC001076295961 979339385 /nfs/dbraw/zinc/33/93/85/979339385.db2.gz GPTCGCFUSJMBNB-DZGCQCFKSA-N 1 2 352.276 2.686 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)[nH]c3C)[C@@H]2C1 ZINC001076295961 979339395 /nfs/dbraw/zinc/33/93/95/979339395.db2.gz GPTCGCFUSJMBNB-DZGCQCFKSA-N 1 2 352.276 2.686 20 30 FFEDLO N#Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4nccs4)[C@@H]3C2)ccc1F ZINC001076392153 979449686 /nfs/dbraw/zinc/44/96/86/979449686.db2.gz MEOPJASHMLURHX-XJKSGUPXSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)c4nccs4)[C@@H]3C2)ccc1F ZINC001076392153 979449687 /nfs/dbraw/zinc/44/96/87/979449687.db2.gz MEOPJASHMLURHX-XJKSGUPXSA-N 1 2 356.426 2.500 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cccc3)[C@@H]2C1 ZINC001076476980 979555891 /nfs/dbraw/zinc/55/58/91/979555891.db2.gz KNOQYOHLZHHCAV-HRCADAONSA-N 1 2 366.303 2.881 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cccc3)[C@@H]2C1 ZINC001076476980 979555899 /nfs/dbraw/zinc/55/58/99/979555899.db2.gz KNOQYOHLZHHCAV-HRCADAONSA-N 1 2 366.303 2.881 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088463258 979710974 /nfs/dbraw/zinc/71/09/74/979710974.db2.gz LRZPZGAQUFLXHR-KDOFPFPSSA-N 1 2 355.413 2.675 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088463258 979710981 /nfs/dbraw/zinc/71/09/81/979710981.db2.gz LRZPZGAQUFLXHR-KDOFPFPSSA-N 1 2 355.413 2.675 20 30 FFEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000668182878 979880334 /nfs/dbraw/zinc/88/03/34/979880334.db2.gz QPIMYOXGFWRSPS-BEFAXECRSA-N 1 2 361.461 2.502 20 30 FFEDLO C=CCC1(C(=O)NCC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001077310550 980088997 /nfs/dbraw/zinc/08/89/97/980088997.db2.gz PXGKZDDDSHDDPW-ARFHVFGLSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCC1(C(=O)NCC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001077310550 980089004 /nfs/dbraw/zinc/08/90/04/980089004.db2.gz PXGKZDDDSHDDPW-ARFHVFGLSA-N 1 2 358.486 2.661 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1nc2ccc(F)cc2o1 ZINC001088530328 980451567 /nfs/dbraw/zinc/45/15/67/980451567.db2.gz MWIVMOGBRHDYIA-ABAIWWIYSA-N 1 2 367.384 2.559 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1nc2ccc(F)cc2o1 ZINC001088530328 980451570 /nfs/dbraw/zinc/45/15/70/980451570.db2.gz MWIVMOGBRHDYIA-ABAIWWIYSA-N 1 2 367.384 2.559 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001059855442 980995188 /nfs/dbraw/zinc/99/51/88/980995188.db2.gz JXMLMRDIEOPZLR-HIRMHNASSA-N 1 2 370.497 2.704 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3c2cc(F)cc3F)C[C@H]1OC ZINC001211999196 981429623 /nfs/dbraw/zinc/42/96/23/981429623.db2.gz BFWOJINUYVJVGX-KZNAEPCWSA-N 1 2 350.409 2.734 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3c2cc(F)cc3F)C[C@H]1OC ZINC001211999196 981429624 /nfs/dbraw/zinc/42/96/24/981429624.db2.gz BFWOJINUYVJVGX-KZNAEPCWSA-N 1 2 350.409 2.734 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)CCC1CCC1 ZINC001212100462 981644559 /nfs/dbraw/zinc/64/45/59/981644559.db2.gz NAKLOBRDKXNKBG-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)CCC1CCC1 ZINC001212100462 981644562 /nfs/dbraw/zinc/64/45/62/981644562.db2.gz NAKLOBRDKXNKBG-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)[C@@H]1C ZINC001088622704 981980516 /nfs/dbraw/zinc/98/05/16/981980516.db2.gz LKKXHOJUWBOTSC-AEFFLSMTSA-N 1 2 355.486 2.844 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2ccn(C(C)C)n2)[C@@H]1C ZINC001088622704 981980522 /nfs/dbraw/zinc/98/05/22/981980522.db2.gz LKKXHOJUWBOTSC-AEFFLSMTSA-N 1 2 355.486 2.844 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccn(CC)n2)[C@@H]1C ZINC001088672064 982265870 /nfs/dbraw/zinc/26/58/70/982265870.db2.gz MNTKSSSRPVEAOR-APWZRJJASA-N 1 2 368.481 2.861 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](Cc2ccn(CC)n2)[C@@H]1C ZINC001088672064 982265876 /nfs/dbraw/zinc/26/58/76/982265876.db2.gz MNTKSSSRPVEAOR-APWZRJJASA-N 1 2 368.481 2.861 20 30 FFEDLO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1CCCn2nc(C(=O)OC)cc21 ZINC000897986510 982584199 /nfs/dbraw/zinc/58/41/99/982584199.db2.gz CMEIRLHBPXTVMW-OAHLLOKOSA-N 1 2 373.840 2.960 20 30 FFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000029228931 984142891 /nfs/dbraw/zinc/14/28/91/984142891.db2.gz DHLNKHTYZCKDJO-KRWDZBQOSA-N 1 2 372.856 2.933 20 30 FFEDLO COc1ccccc1[C@@H](C)N(C)C(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000151295332 984247505 /nfs/dbraw/zinc/24/75/05/984247505.db2.gz KTHGCRQOXRDDTP-CQSZACIVSA-N 1 2 373.428 2.999 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913461169 984270645 /nfs/dbraw/zinc/27/06/45/984270645.db2.gz ULABGAHPXWRSAL-MRXNPFEDSA-N 1 2 365.462 2.602 20 30 FFEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc([C@H](C)OC)no1)CC2 ZINC001107319894 984448725 /nfs/dbraw/zinc/44/87/25/984448725.db2.gz UZKVRODJCBQKAH-QMTMVMCOSA-N 1 2 362.474 2.604 20 30 FFEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nc([C@H](C)OC)no1)CC2 ZINC001107319894 984448729 /nfs/dbraw/zinc/44/87/29/984448729.db2.gz UZKVRODJCBQKAH-QMTMVMCOSA-N 1 2 362.474 2.604 20 30 FFEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(C(F)F)no1)CC2 ZINC001107327241 984456032 /nfs/dbraw/zinc/45/60/32/984456032.db2.gz UEVWRNYYZJVGRJ-SJKOYZFVSA-N 1 2 354.401 2.834 20 30 FFEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nc(C(F)F)no1)CC2 ZINC001107327241 984456033 /nfs/dbraw/zinc/45/60/33/984456033.db2.gz UEVWRNYYZJVGRJ-SJKOYZFVSA-N 1 2 354.401 2.834 20 30 FFEDLO C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC000996673605 984491108 /nfs/dbraw/zinc/49/11/08/984491108.db2.gz ZITZUXMXPREVFL-IKGGRYGDSA-N 1 2 366.465 2.717 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2nnc(C4CC4)[nH]2)CC3)C1 ZINC001107543244 984658478 /nfs/dbraw/zinc/65/84/78/984658478.db2.gz BJTKAANXDIQKDG-IIBYNOLFSA-N 1 2 369.513 2.899 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@]23CCC[C@H]2[N@@H+](Cc2nnc(C4CC4)[nH]2)CC3)C1 ZINC001107543244 984658483 /nfs/dbraw/zinc/65/84/83/984658483.db2.gz BJTKAANXDIQKDG-IIBYNOLFSA-N 1 2 369.513 2.899 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000761118764 984808900 /nfs/dbraw/zinc/80/89/00/984808900.db2.gz OSQYIGIKLVYHNP-IBGZPJMESA-N 1 2 350.422 2.744 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCSC[C@@H]1c1cnn(C)c1)c1ccccc1 ZINC000878502805 1015074275 /nfs/dbraw/zinc/07/42/75/1015074275.db2.gz HJIQUHBIGQIFKU-UXHICEINSA-N 1 2 368.506 2.951 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCSC[C@@H]1c1cnn(C)c1)c1ccccc1 ZINC000878502805 1015074285 /nfs/dbraw/zinc/07/42/85/1015074285.db2.gz HJIQUHBIGQIFKU-UXHICEINSA-N 1 2 368.506 2.951 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000170646543 985103939 /nfs/dbraw/zinc/10/39/39/985103939.db2.gz MRUBIRCQJFRVQL-UHFFFAOYSA-N 1 2 361.401 2.692 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccn(C(CC)CC)n2)[C@@H]1C ZINC001088868710 985164654 /nfs/dbraw/zinc/16/46/54/985164654.db2.gz UVTAXJABPUIRSC-XCLNPWKQSA-N 1 2 374.529 2.914 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccn(C(CC)CC)n2)[C@@H]1C ZINC001088868710 985164660 /nfs/dbraw/zinc/16/46/60/985164660.db2.gz UVTAXJABPUIRSC-XCLNPWKQSA-N 1 2 374.529 2.914 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccncc2Cl)CC[N@@H+]1Cc1ccccc1C#N ZINC001088878207 985275302 /nfs/dbraw/zinc/27/53/02/985275302.db2.gz IEOWTEHPNXJHGG-ACJLOTCBSA-N 1 2 354.841 2.999 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccncc2Cl)CC[N@H+]1Cc1ccccc1C#N ZINC001088878207 985275313 /nfs/dbraw/zinc/27/53/13/985275313.db2.gz IEOWTEHPNXJHGG-ACJLOTCBSA-N 1 2 354.841 2.999 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)[C@@H]1C ZINC001088914245 985438340 /nfs/dbraw/zinc/43/83/40/985438340.db2.gz RRIPADMGUPXHDE-UEABVUSTSA-N 1 2 359.470 2.612 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)[C@@H]1C ZINC001088914245 985438343 /nfs/dbraw/zinc/43/83/43/985438343.db2.gz RRIPADMGUPXHDE-UEABVUSTSA-N 1 2 359.470 2.612 20 30 FFEDLO C#Cc1cccc(NC(=O)C[NH2+][C@@H](C(=O)N(CC)CC)c2ccccc2)c1 ZINC000172083229 985452365 /nfs/dbraw/zinc/45/23/65/985452365.db2.gz RJVASVSOYIZSHH-OAQYLSRUSA-N 1 2 363.461 2.806 20 30 FFEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168421188 985510441 /nfs/dbraw/zinc/51/04/41/985510441.db2.gz PGXKXAVHUXACHN-UXHICEINSA-N 1 2 352.409 2.929 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)o1 ZINC001088938190 985537229 /nfs/dbraw/zinc/53/72/29/985537229.db2.gz ALHVTJCFNCSOEB-WBMJQRKESA-N 1 2 357.385 2.692 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)o1 ZINC001088938190 985537236 /nfs/dbraw/zinc/53/72/36/985537236.db2.gz ALHVTJCFNCSOEB-WBMJQRKESA-N 1 2 357.385 2.692 20 30 FFEDLO Cc1cnoc1C(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)[C@@H]1C ZINC001088955163 985601332 /nfs/dbraw/zinc/60/13/32/985601332.db2.gz UFOYFOVHGSMNJH-PBHICJAKSA-N 1 2 357.841 2.881 20 30 FFEDLO Cc1cnoc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H]1C ZINC001088955163 985601340 /nfs/dbraw/zinc/60/13/40/985601340.db2.gz UFOYFOVHGSMNJH-PBHICJAKSA-N 1 2 357.841 2.881 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[NH+]1CCN(c2cccc(F)n2)CC1)c1ccccc1 ZINC000878678297 1015164000 /nfs/dbraw/zinc/16/40/00/1015164000.db2.gz HUPBAEHMCGUMAL-NRFANRHFSA-N 1 2 366.440 2.783 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001089034220 986039247 /nfs/dbraw/zinc/03/92/47/986039247.db2.gz JIYDVRBZKKANTM-KUHUBIRLSA-N 1 2 369.440 2.929 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001089034220 986039264 /nfs/dbraw/zinc/03/92/64/986039264.db2.gz JIYDVRBZKKANTM-KUHUBIRLSA-N 1 2 369.440 2.929 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001060993346 987169437 /nfs/dbraw/zinc/16/94/37/987169437.db2.gz RMWHHMHYCOZQPT-SUMDDJOVSA-N 1 2 370.497 2.515 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001002761925 987457944 /nfs/dbraw/zinc/45/79/44/987457944.db2.gz CTCPHKVGFIKKHY-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001002761925 987457950 /nfs/dbraw/zinc/45/79/50/987457950.db2.gz CTCPHKVGFIKKHY-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H](C)C(C)(C)C ZINC001212469758 987528078 /nfs/dbraw/zinc/52/80/78/987528078.db2.gz LEQRDSLADQUAMU-FSPWUOQZSA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H](C)C(C)(C)C ZINC001212469758 987528083 /nfs/dbraw/zinc/52/80/83/987528083.db2.gz LEQRDSLADQUAMU-FSPWUOQZSA-N 1 2 361.461 2.695 20 30 FFEDLO Cn1cc[nH+]c1C[C@H](NC(=O)C#Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000762233476 988238438 /nfs/dbraw/zinc/23/84/38/988238438.db2.gz HMGKQIUKHDGHGK-SFHVURJKSA-N 1 2 373.412 2.601 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001033086452 988759363 /nfs/dbraw/zinc/75/93/63/988759363.db2.gz IMKTYTFREWFRST-ZACQAIPSSA-N 1 2 359.470 2.566 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001033086452 988759370 /nfs/dbraw/zinc/75/93/70/988759370.db2.gz IMKTYTFREWFRST-ZACQAIPSSA-N 1 2 359.470 2.566 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001061467083 988786770 /nfs/dbraw/zinc/78/67/70/988786770.db2.gz WXNIECFMAHHTOT-LNLFQRSKSA-N 1 2 370.497 2.729 20 30 FFEDLO C[C@H]1CC[C@@](C)(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)C1(C)C ZINC001083833133 988898321 /nfs/dbraw/zinc/89/83/21/988898321.db2.gz KREUWJLWIQLZCT-USKVXJDGSA-N 1 2 368.521 2.662 20 30 FFEDLO C[C@H]1CC[C@@](C)(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)C1(C)C ZINC001083833133 988898338 /nfs/dbraw/zinc/89/83/38/988898338.db2.gz KREUWJLWIQLZCT-USKVXJDGSA-N 1 2 368.521 2.662 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)[C@H](C)C2)C1 ZINC000994240806 989711862 /nfs/dbraw/zinc/71/18/62/989711862.db2.gz NSOLKTVQTJPZEB-GDBMZVCRSA-N 1 2 366.465 2.744 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ncc(CC)o2)C1 ZINC001033834128 989746806 /nfs/dbraw/zinc/74/68/06/989746806.db2.gz SYWPWSXQZICBNR-NXHRZFHOSA-N 1 2 361.486 2.641 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ncc(CC)o2)C1 ZINC001033834128 989746809 /nfs/dbraw/zinc/74/68/09/989746809.db2.gz SYWPWSXQZICBNR-NXHRZFHOSA-N 1 2 361.486 2.641 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1n1ccnn1 ZINC001129148041 990439922 /nfs/dbraw/zinc/43/99/22/990439922.db2.gz XBYPPHRKYUSZJH-MSOLQXFVSA-N 1 2 371.460 2.561 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1n1ccnn1 ZINC001129148041 990439925 /nfs/dbraw/zinc/43/99/25/990439925.db2.gz XBYPPHRKYUSZJH-MSOLQXFVSA-N 1 2 371.460 2.561 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2ccn(-c3ccccc3F)n2)cc1OC ZINC000187118027 990959137 /nfs/dbraw/zinc/95/91/37/990959137.db2.gz HVDZDKKZZCTTKI-UHFFFAOYSA-N 1 2 370.384 2.866 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001005992810 990980338 /nfs/dbraw/zinc/98/03/38/990980338.db2.gz CNFQTCDOTDHJAK-WTTBNOFXSA-N 1 2 370.497 2.680 20 30 FFEDLO C=CCCN(OCc1ccccc1)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000187152092 991080661 /nfs/dbraw/zinc/08/06/61/991080661.db2.gz NVUPCGGGRBFKJR-MSOLQXFVSA-N 1 2 361.486 2.815 20 30 FFEDLO COc1ccccc1[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000879630984 1015617263 /nfs/dbraw/zinc/61/72/63/1015617263.db2.gz NSLZNMDFXCVGHE-HXUWFJFHSA-N 1 2 365.433 2.969 20 30 FFEDLO COc1ccccc1[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000879630984 1015617267 /nfs/dbraw/zinc/61/72/67/1015617267.db2.gz NSLZNMDFXCVGHE-HXUWFJFHSA-N 1 2 365.433 2.969 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879689016 1015640741 /nfs/dbraw/zinc/64/07/41/1015640741.db2.gz JGRRSGYIANPBFP-WMZOPIPTSA-N 1 2 367.497 2.597 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879689016 1015640745 /nfs/dbraw/zinc/64/07/45/1015640745.db2.gz JGRRSGYIANPBFP-WMZOPIPTSA-N 1 2 367.497 2.597 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@]2(C1)CCCN(c1cc[nH+]c(C)n1)C2 ZINC001064570418 991634173 /nfs/dbraw/zinc/63/41/73/991634173.db2.gz JGUCRSAPGJDSTB-HFSMHLIXSA-N 1 2 370.497 2.585 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212337652 991726907 /nfs/dbraw/zinc/72/69/07/991726907.db2.gz ZJXJGXZPUUYRGO-QZTJIDSGSA-N 1 2 360.885 2.632 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212337652 991726912 /nfs/dbraw/zinc/72/69/12/991726912.db2.gz ZJXJGXZPUUYRGO-QZTJIDSGSA-N 1 2 360.885 2.632 20 30 FFEDLO Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2ccccc2F)oc1C ZINC001079287337 991975625 /nfs/dbraw/zinc/97/56/25/991975625.db2.gz ZNJCQDQOCYWXQQ-ULFGMLNVSA-N 1 2 370.428 2.674 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(CC)o2)CC1(C)C ZINC000941039482 992263685 /nfs/dbraw/zinc/26/36/85/992263685.db2.gz RBITWWOAPSGDMA-IKGGRYGDSA-N 1 2 361.486 2.545 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncc(CC)o2)CC1(C)C ZINC000941039482 992263692 /nfs/dbraw/zinc/26/36/92/992263692.db2.gz RBITWWOAPSGDMA-IKGGRYGDSA-N 1 2 361.486 2.545 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2nc(C)oc2C)C1 ZINC001008810747 1015717856 /nfs/dbraw/zinc/71/78/56/1015717856.db2.gz NQRXYELAILHMCD-LNLFQRSKSA-N 1 2 361.486 2.743 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001008810747 1015717861 /nfs/dbraw/zinc/71/78/61/1015717861.db2.gz NQRXYELAILHMCD-LNLFQRSKSA-N 1 2 361.486 2.743 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3nc(C)no3)C[C@H]2C)cc1 ZINC001079977790 992638365 /nfs/dbraw/zinc/63/83/65/992638365.db2.gz JNUVYTYWDQINPH-HBUWYVDXSA-N 1 2 370.453 2.754 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3nc(C)no3)C[C@H]2C)cc1 ZINC001079977790 992638371 /nfs/dbraw/zinc/63/83/71/992638371.db2.gz JNUVYTYWDQINPH-HBUWYVDXSA-N 1 2 370.453 2.754 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]2C)cc1 ZINC001079977919 992639747 /nfs/dbraw/zinc/63/97/47/992639747.db2.gz QDQZHZDWUHXDSV-AUUYWEPGSA-N 1 2 355.438 2.798 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)on3)C[C@H]2C)cc1 ZINC001079977919 992639752 /nfs/dbraw/zinc/63/97/52/992639752.db2.gz QDQZHZDWUHXDSV-AUUYWEPGSA-N 1 2 355.438 2.798 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1onc2c1CCCC2 ZINC001080125535 992761178 /nfs/dbraw/zinc/76/11/78/992761178.db2.gz YGJBPTBALITLIJ-AUUYWEPGSA-N 1 2 364.449 2.675 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1onc2c1CCCC2 ZINC001080125535 992761186 /nfs/dbraw/zinc/76/11/86/992761186.db2.gz YGJBPTBALITLIJ-AUUYWEPGSA-N 1 2 364.449 2.675 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)CC[C@@H](C(F)(F)F)O1 ZINC000880055664 1015744707 /nfs/dbraw/zinc/74/47/07/1015744707.db2.gz CRQVPSPTCTVYBF-ZBFHGGJFSA-N 1 2 369.387 2.975 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC[C@@H](C(F)(F)F)O1 ZINC000880055664 1015744711 /nfs/dbraw/zinc/74/47/11/1015744711.db2.gz CRQVPSPTCTVYBF-ZBFHGGJFSA-N 1 2 369.387 2.975 20 30 FFEDLO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC2 ZINC000880034004 1015739737 /nfs/dbraw/zinc/73/97/37/1015739737.db2.gz MUQPXGSCEGGTIA-UHFFFAOYSA-N 1 2 350.378 2.983 20 30 FFEDLO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC2 ZINC000880034004 1015739741 /nfs/dbraw/zinc/73/97/41/1015739741.db2.gz MUQPXGSCEGGTIA-UHFFFAOYSA-N 1 2 350.378 2.983 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3c(F)cccc3F)C[C@H]2C)cn1 ZINC001080810337 993384523 /nfs/dbraw/zinc/38/45/23/993384523.db2.gz GVADCYTYJJPXIK-BFUOFWGJSA-N 1 2 355.388 2.591 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3c(F)cccc3F)C[C@H]2C)cn1 ZINC001080810337 993384529 /nfs/dbraw/zinc/38/45/29/993384529.db2.gz GVADCYTYJJPXIK-BFUOFWGJSA-N 1 2 355.388 2.591 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ncccc1Cl ZINC001080818227 993392673 /nfs/dbraw/zinc/39/26/73/993392673.db2.gz YWUWEZBHPZXXRV-CXAGYDPISA-N 1 2 354.841 2.857 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ncccc1Cl ZINC001080818227 993392676 /nfs/dbraw/zinc/39/26/76/993392676.db2.gz YWUWEZBHPZXXRV-CXAGYDPISA-N 1 2 354.841 2.857 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cccc(F)c2)C1 ZINC001080897229 993461728 /nfs/dbraw/zinc/46/17/28/993461728.db2.gz POEGNFBEISDXOB-IAQYHMDHSA-N 1 2 355.251 2.713 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cccc(F)c2)C1 ZINC001080897229 993461733 /nfs/dbraw/zinc/46/17/33/993461733.db2.gz POEGNFBEISDXOB-IAQYHMDHSA-N 1 2 355.251 2.713 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C1CCCCC1 ZINC001081287677 993785943 /nfs/dbraw/zinc/78/59/43/993785943.db2.gz GVORAPAJIPANLF-WOJBJXKFSA-N 1 2 358.457 2.573 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C1CCCCC1 ZINC001081287677 993785953 /nfs/dbraw/zinc/78/59/53/993785953.db2.gz GVORAPAJIPANLF-WOJBJXKFSA-N 1 2 358.457 2.573 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)C1CC(C)C1 ZINC001081512913 993862462 /nfs/dbraw/zinc/86/24/62/993862462.db2.gz SDDBJBSPODSQBJ-IZVXFFJCSA-N 1 2 360.885 2.553 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)C1CC(C)C1 ZINC001081512913 993862470 /nfs/dbraw/zinc/86/24/70/993862470.db2.gz SDDBJBSPODSQBJ-IZVXFFJCSA-N 1 2 360.885 2.553 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3oc(C(C)C)nc3C)C[C@H]2OC)C1 ZINC001082110624 994192502 /nfs/dbraw/zinc/19/25/02/994192502.db2.gz ABOHQPYEXOWHJT-NVXWUHKLSA-N 1 2 361.486 2.778 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3oc(C(C)C)nc3C)C[C@H]2OC)C1 ZINC001082110624 994192506 /nfs/dbraw/zinc/19/25/06/994192506.db2.gz ABOHQPYEXOWHJT-NVXWUHKLSA-N 1 2 361.486 2.778 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1ccc(C)cc1 ZINC001082341431 994420973 /nfs/dbraw/zinc/42/09/73/994420973.db2.gz MGOVHVFTKFRFAN-WOJBJXKFSA-N 1 2 367.424 2.635 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1ccc(C)cc1 ZINC001082341431 994420979 /nfs/dbraw/zinc/42/09/79/994420979.db2.gz MGOVHVFTKFRFAN-WOJBJXKFSA-N 1 2 367.424 2.635 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ccc(C)c(C)c1 ZINC001082354591 994427848 /nfs/dbraw/zinc/42/78/48/994427848.db2.gz DICZJYZTLKTYPB-RTBURBONSA-N 1 2 369.490 2.866 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ccc(C)c(C)c1 ZINC001082354591 994427851 /nfs/dbraw/zinc/42/78/51/994427851.db2.gz DICZJYZTLKTYPB-RTBURBONSA-N 1 2 369.490 2.866 20 30 FFEDLO C#Cc1ccc(C[N@@H+](Cc2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000809540070 994534415 /nfs/dbraw/zinc/53/44/15/994534415.db2.gz JMTSFHLFSVKKJQ-FQEVSTJZSA-N 1 2 369.486 2.866 20 30 FFEDLO C#Cc1ccc(C[N@H+](Cc2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000809540070 994534423 /nfs/dbraw/zinc/53/44/23/994534423.db2.gz JMTSFHLFSVKKJQ-FQEVSTJZSA-N 1 2 369.486 2.866 20 30 FFEDLO Fc1cc(C=[NH+]NC(=S)NCc2ccccc2)ccc1N1CCOCC1 ZINC000727254373 995730149 /nfs/dbraw/zinc/73/01/49/995730149.db2.gz RWAZVSPTIZCAOJ-UHFFFAOYSA-N 1 2 372.469 2.661 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C3CC3)o2)C1)c1ccccc1 ZINC001082937391 995869889 /nfs/dbraw/zinc/86/98/89/995869889.db2.gz UJRFKDGLZSYICC-ZTFGCOKTSA-N 1 2 366.465 2.853 20 30 FFEDLO CC[C@H](C)C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001083005694 996022478 /nfs/dbraw/zinc/02/24/78/996022478.db2.gz IBYKUHRFDDASGI-ZYSHUDEJSA-N 1 2 360.885 2.649 20 30 FFEDLO CC[C@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001083005694 996022485 /nfs/dbraw/zinc/02/24/85/996022485.db2.gz IBYKUHRFDDASGI-ZYSHUDEJSA-N 1 2 360.885 2.649 20 30 FFEDLO CC(C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21)=C1CCCC1 ZINC001083045731 996044105 /nfs/dbraw/zinc/04/41/05/996044105.db2.gz UZCQPJMALBRFNH-FCHUYYIVSA-N 1 2 364.489 2.840 20 30 FFEDLO CC(C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21)=C1CCCC1 ZINC001083045731 996044110 /nfs/dbraw/zinc/04/41/10/996044110.db2.gz UZCQPJMALBRFNH-FCHUYYIVSA-N 1 2 364.489 2.840 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4ccccc4cc3F)[C@H]2C1 ZINC001083140275 996097753 /nfs/dbraw/zinc/09/77/53/996097753.db2.gz WMVBQGAFHUIJQO-VQTJNVASSA-N 1 2 352.409 2.527 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4ccccc4cc3F)[C@H]2C1 ZINC001083140275 996097759 /nfs/dbraw/zinc/09/77/59/996097759.db2.gz WMVBQGAFHUIJQO-VQTJNVASSA-N 1 2 352.409 2.527 20 30 FFEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@H]32)CC1 ZINC001083183966 996173775 /nfs/dbraw/zinc/17/37/75/996173775.db2.gz HQKNGBOMKAJCLZ-RBUKOAKNSA-N 1 2 371.506 2.778 20 30 FFEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@@H]32)CC1 ZINC001083183966 996173776 /nfs/dbraw/zinc/17/37/76/996173776.db2.gz HQKNGBOMKAJCLZ-RBUKOAKNSA-N 1 2 371.506 2.778 20 30 FFEDLO O=C(c1cccnc1)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084154627 996283589 /nfs/dbraw/zinc/28/35/89/996283589.db2.gz XLUXFKOSIZAXDW-UYAOXDASSA-N 1 2 365.864 2.933 20 30 FFEDLO O=C(c1cccnc1)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084154627 996283596 /nfs/dbraw/zinc/28/35/96/996283596.db2.gz XLUXFKOSIZAXDW-UYAOXDASSA-N 1 2 365.864 2.933 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)o1 ZINC001084171510 996302332 /nfs/dbraw/zinc/30/23/32/996302332.db2.gz GQSRLOHAZJNNCY-SJLPKXTDSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)o1 ZINC001084171510 996302333 /nfs/dbraw/zinc/30/23/33/996302333.db2.gz GQSRLOHAZJNNCY-SJLPKXTDSA-N 1 2 353.397 2.945 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccnc(F)c4)[C@@H]3C2)c(F)c1 ZINC001084224604 996372666 /nfs/dbraw/zinc/37/26/66/996372666.db2.gz DSJFHWZFXLMDAX-SJLPKXTDSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccnc(F)c4)[C@@H]3C2)c(F)c1 ZINC001084224604 996372671 /nfs/dbraw/zinc/37/26/71/996372671.db2.gz DSJFHWZFXLMDAX-SJLPKXTDSA-N 1 2 368.387 2.578 20 30 FFEDLO Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001084232288 996382568 /nfs/dbraw/zinc/38/25/68/996382568.db2.gz ZQCUVPGRMJFZED-POZUXBRTSA-N 1 2 364.449 2.842 20 30 FFEDLO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001084232288 996382575 /nfs/dbraw/zinc/38/25/75/996382575.db2.gz ZQCUVPGRMJFZED-POZUXBRTSA-N 1 2 364.449 2.842 20 30 FFEDLO Cc1cccnc1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084263624 996408608 /nfs/dbraw/zinc/40/86/08/996408608.db2.gz NXDOFKGHPGRPAS-VQIMIIECSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cccnc1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084263624 996408614 /nfs/dbraw/zinc/40/86/14/996408614.db2.gz NXDOFKGHPGRPAS-VQIMIIECSA-N 1 2 364.424 2.747 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)CCc4ccoc4)[C@@H]3C2)c1 ZINC001084269280 996413750 /nfs/dbraw/zinc/41/37/50/996413750.db2.gz QHMDNTATSLYDCO-YLJYHZDGSA-N 1 2 367.424 2.956 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)CCc4ccoc4)[C@@H]3C2)c1 ZINC001084269280 996413755 /nfs/dbraw/zinc/41/37/55/996413755.db2.gz QHMDNTATSLYDCO-YLJYHZDGSA-N 1 2 367.424 2.956 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084351508 996478762 /nfs/dbraw/zinc/47/87/62/996478762.db2.gz ROVPSKHPJAWYNM-MHTWAQMVSA-N 1 2 367.493 2.652 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084351508 996478763 /nfs/dbraw/zinc/47/87/63/996478763.db2.gz ROVPSKHPJAWYNM-MHTWAQMVSA-N 1 2 367.493 2.652 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COc4cc(F)ccc4C3)[C@@H]2C1 ZINC001084343675 996513037 /nfs/dbraw/zinc/51/30/37/996513037.db2.gz WRGPAPVFMVMXMR-BFYDXBDKSA-N 1 2 364.848 2.662 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COc4cc(F)ccc4C3)[C@@H]2C1 ZINC001084343675 996513041 /nfs/dbraw/zinc/51/30/41/996513041.db2.gz WRGPAPVFMVMXMR-BFYDXBDKSA-N 1 2 364.848 2.662 20 30 FFEDLO COCc1ccc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)o1 ZINC001084502893 996625623 /nfs/dbraw/zinc/62/56/23/996625623.db2.gz HRDLPBULVAIJCM-UYAOXDASSA-N 1 2 364.445 2.624 20 30 FFEDLO COCc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)o1 ZINC001084502893 996625627 /nfs/dbraw/zinc/62/56/27/996625627.db2.gz HRDLPBULVAIJCM-UYAOXDASSA-N 1 2 364.445 2.624 20 30 FFEDLO COCc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)o1 ZINC001084503129 996626745 /nfs/dbraw/zinc/62/67/45/996626745.db2.gz UICLMKIQCMPQIS-IEBWSBKVSA-N 1 2 365.433 2.644 20 30 FFEDLO COCc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)o1 ZINC001084503129 996626749 /nfs/dbraw/zinc/62/67/49/996626749.db2.gz UICLMKIQCMPQIS-IEBWSBKVSA-N 1 2 365.433 2.644 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4nccn43)[C@@H]2C1 ZINC001084516578 996637553 /nfs/dbraw/zinc/63/75/53/996637553.db2.gz ZIRCKQJQZQYDBE-UYAOXDASSA-N 1 2 371.444 2.552 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4nccn43)[C@@H]2C1 ZINC001084516578 996637557 /nfs/dbraw/zinc/63/75/57/996637557.db2.gz ZIRCKQJQZQYDBE-UYAOXDASSA-N 1 2 371.444 2.552 20 30 FFEDLO Cc1cocc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084584193 996697666 /nfs/dbraw/zinc/69/76/66/996697666.db2.gz MGXQUDWIOWSVBH-VQIMIIECSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1cocc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084584193 996697668 /nfs/dbraw/zinc/69/76/68/996697668.db2.gz MGXQUDWIOWSVBH-VQIMIIECSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)cs1 ZINC001084605374 996702896 /nfs/dbraw/zinc/70/28/96/996702896.db2.gz MPCBHIINDLRRRI-MLGOLLRUSA-N 1 2 358.492 2.731 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)cs1 ZINC001084605374 996702901 /nfs/dbraw/zinc/70/29/01/996702901.db2.gz MPCBHIINDLRRRI-MLGOLLRUSA-N 1 2 358.492 2.731 20 30 FFEDLO CCc1nocc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084640801 996753812 /nfs/dbraw/zinc/75/38/12/996753812.db2.gz LHVAMCXTXPJOJL-SJKOYZFVSA-N 1 2 356.451 2.517 20 30 FFEDLO CCc1nocc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084640801 996753815 /nfs/dbraw/zinc/75/38/15/996753815.db2.gz LHVAMCXTXPJOJL-SJKOYZFVSA-N 1 2 356.451 2.517 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]4C4CC4)[C@@H]3C2)c1 ZINC001084712907 997032698 /nfs/dbraw/zinc/03/26/98/997032698.db2.gz AJBGVDCCPPLWAZ-MJKGWSOKSA-N 1 2 353.441 2.776 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]4C4CC4)[C@@H]3C2)c1 ZINC001084712907 997032707 /nfs/dbraw/zinc/03/27/07/997032707.db2.gz AJBGVDCCPPLWAZ-MJKGWSOKSA-N 1 2 353.441 2.776 20 30 FFEDLO CCc1noc(C)c1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084826531 997567151 /nfs/dbraw/zinc/56/71/51/997567151.db2.gz HSVYETGLHLKRCI-UYAOXDASSA-N 1 2 363.461 2.743 20 30 FFEDLO CCc1noc(C)c1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084826531 997567160 /nfs/dbraw/zinc/56/71/60/997567160.db2.gz HSVYETGLHLKRCI-UYAOXDASSA-N 1 2 363.461 2.743 20 30 FFEDLO N#CCOc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000731211189 997740456 /nfs/dbraw/zinc/74/04/56/997740456.db2.gz AVWPVSCTJYZADJ-UHFFFAOYSA-N 1 2 363.421 2.648 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000881121227 1016151629 /nfs/dbraw/zinc/15/16/29/1016151629.db2.gz DEUNQTHATHGCHV-KDOFPFPSSA-N 1 2 354.454 2.763 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccnc3)C[C@@H]21 ZINC001084880088 997812768 /nfs/dbraw/zinc/81/27/68/997812768.db2.gz GZMHUTDWQRDDMD-HIFRSBDPSA-N 1 2 350.260 2.527 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccnc3)C[C@@H]21 ZINC001084880088 997812776 /nfs/dbraw/zinc/81/27/76/997812776.db2.gz GZMHUTDWQRDDMD-HIFRSBDPSA-N 1 2 350.260 2.527 20 30 FFEDLO COCCN(C(=O)OC(C)(C)C)C1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000844354513 997824307 /nfs/dbraw/zinc/82/43/07/997824307.db2.gz LJVSQCZGKZQFMU-MRXNPFEDSA-N 1 2 364.490 2.778 20 30 FFEDLO CSCC(=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC001084884662 997844289 /nfs/dbraw/zinc/84/42/89/997844289.db2.gz XCFWTIKUZRRCJK-AEFFLSMTSA-N 1 2 362.926 2.977 20 30 FFEDLO CSCC(=O)N1CC[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC001084884662 997844307 /nfs/dbraw/zinc/84/43/07/997844307.db2.gz XCFWTIKUZRRCJK-AEFFLSMTSA-N 1 2 362.926 2.977 20 30 FFEDLO C=CC[C@@H](C)C(=O)N1CC[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001144017851 997937846 /nfs/dbraw/zinc/93/78/46/997937846.db2.gz NOWOTWRRWOTBTC-QGPMSJSTSA-N 1 2 363.527 2.713 20 30 FFEDLO C=CC[C@@H](C)C(=O)N1CC[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001144017851 997937857 /nfs/dbraw/zinc/93/78/57/997937857.db2.gz NOWOTWRRWOTBTC-QGPMSJSTSA-N 1 2 363.527 2.713 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001144068340 997979551 /nfs/dbraw/zinc/97/95/51/997979551.db2.gz GPAXFNGTNFPWPU-UHFFFAOYSA-N 1 2 369.509 2.582 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001144068340 997979560 /nfs/dbraw/zinc/97/95/60/997979560.db2.gz GPAXFNGTNFPWPU-UHFFFAOYSA-N 1 2 369.509 2.582 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1[nH]nc3ccc(F)cc31)CC2 ZINC001144194733 998118340 /nfs/dbraw/zinc/11/83/40/998118340.db2.gz FQZCTWNKNSEPRZ-UHFFFAOYSA-N 1 2 355.417 2.696 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1[nH]nc3ccc(F)cc31)CC2 ZINC001144194733 998118345 /nfs/dbraw/zinc/11/83/45/998118345.db2.gz FQZCTWNKNSEPRZ-UHFFFAOYSA-N 1 2 355.417 2.696 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1n[nH]c3ccc(F)cc13)CC2 ZINC001144194733 998118351 /nfs/dbraw/zinc/11/83/51/998118351.db2.gz FQZCTWNKNSEPRZ-UHFFFAOYSA-N 1 2 355.417 2.696 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1n[nH]c3ccc(F)cc13)CC2 ZINC001144194733 998118359 /nfs/dbraw/zinc/11/83/59/998118359.db2.gz FQZCTWNKNSEPRZ-UHFFFAOYSA-N 1 2 355.417 2.696 20 30 FFEDLO C=C(C(=O)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2)C(F)(F)F ZINC001144201692 998126967 /nfs/dbraw/zinc/12/69/67/998126967.db2.gz MWVVNZQMHWODQW-UHFFFAOYSA-N 1 2 358.360 2.592 20 30 FFEDLO C=C(C(=O)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2)C(F)(F)F ZINC001144201692 998126975 /nfs/dbraw/zinc/12/69/75/998126975.db2.gz MWVVNZQMHWODQW-UHFFFAOYSA-N 1 2 358.360 2.592 20 30 FFEDLO C#Cc1cccc(NC(=O)CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000731870143 998311052 /nfs/dbraw/zinc/31/10/52/998311052.db2.gz DUJRBENPOIRFIL-LJQANCHMSA-N 1 2 369.852 2.679 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049731088 1016210410 /nfs/dbraw/zinc/21/04/10/1016210410.db2.gz XDLWNJHCCBRTDU-DPZWOIPNSA-N 1 2 371.456 2.688 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049731088 1016210417 /nfs/dbraw/zinc/21/04/17/1016210417.db2.gz XDLWNJHCCBRTDU-DPZWOIPNSA-N 1 2 371.456 2.688 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC000845278659 998462460 /nfs/dbraw/zinc/46/24/60/998462460.db2.gz WFFWAIPRPBDNQB-KRWDZBQOSA-N 1 2 368.437 2.941 20 30 FFEDLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000845282509 998464058 /nfs/dbraw/zinc/46/40/58/998464058.db2.gz WZBVYKXDPYXYOJ-YJTLQXIOSA-N 1 2 360.458 2.697 20 30 FFEDLO C[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)n1cc[nH+]c1 ZINC000845281697 998464619 /nfs/dbraw/zinc/46/46/19/998464619.db2.gz RIYAALHSDRUCNL-RYUDHWBXSA-N 1 2 372.450 2.826 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ncc(CC)o4)[C@H]3C2)cc1 ZINC001085003331 998642648 /nfs/dbraw/zinc/64/26/48/998642648.db2.gz CUNLJBGNDCTFPT-XLIONFOSSA-N 1 2 363.461 2.955 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](Cc4ncc(CC)o4)[C@H]3C2)cc1 ZINC001085003331 998642652 /nfs/dbraw/zinc/64/26/52/998642652.db2.gz CUNLJBGNDCTFPT-XLIONFOSSA-N 1 2 363.461 2.955 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3scc4c3OCCO4)C[C@@H]21 ZINC001085067738 998829615 /nfs/dbraw/zinc/82/96/15/998829615.db2.gz NZQXTQRVLOXRDK-OLZOCXBDSA-N 1 2 368.886 2.808 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3scc4c3OCCO4)C[C@@H]21 ZINC001085067738 998829618 /nfs/dbraw/zinc/82/96/18/998829618.db2.gz NZQXTQRVLOXRDK-OLZOCXBDSA-N 1 2 368.886 2.808 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1coc(C)n1 ZINC001049776978 1016258619 /nfs/dbraw/zinc/25/86/19/1016258619.db2.gz FVWHEQAIJYTVRD-OKYOBFRVSA-N 1 2 359.470 2.530 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1coc(C)n1 ZINC001049776978 1016258625 /nfs/dbraw/zinc/25/86/25/1016258625.db2.gz FVWHEQAIJYTVRD-OKYOBFRVSA-N 1 2 359.470 2.530 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3cnns3)[C@H]2C1)c1ccccc1 ZINC001085099456 998941949 /nfs/dbraw/zinc/94/19/49/998941949.db2.gz ULRMNGAJSITJDT-QRQLOZEOSA-N 1 2 368.506 2.931 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnns3)[C@H]2C1)c1ccccc1 ZINC001085099456 998941951 /nfs/dbraw/zinc/94/19/51/998941951.db2.gz ULRMNGAJSITJDT-QRQLOZEOSA-N 1 2 368.506 2.931 20 30 FFEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719319 999614171 /nfs/dbraw/zinc/61/41/71/999614171.db2.gz QEFYDATUFQRAFU-DSKINZAPSA-N 1 2 371.456 2.689 20 30 FFEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719319 999614172 /nfs/dbraw/zinc/61/41/72/999614172.db2.gz QEFYDATUFQRAFU-DSKINZAPSA-N 1 2 371.456 2.689 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001085734066 999619926 /nfs/dbraw/zinc/61/99/26/999619926.db2.gz WXTFWAXYJSRPDD-ZCNNSNEGSA-N 1 2 358.457 2.525 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001085734066 999619929 /nfs/dbraw/zinc/61/99/29/999619929.db2.gz WXTFWAXYJSRPDD-ZCNNSNEGSA-N 1 2 358.457 2.525 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1nc2ccccc2o1 ZINC001085869593 999666590 /nfs/dbraw/zinc/66/65/90/999666590.db2.gz VRRJSVQQFUQJKX-GUXCAODWSA-N 1 2 369.465 2.842 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1nc2ccccc2o1 ZINC001085869593 999666592 /nfs/dbraw/zinc/66/65/92/999666592.db2.gz VRRJSVQQFUQJKX-GUXCAODWSA-N 1 2 369.465 2.842 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001085869294 999666687 /nfs/dbraw/zinc/66/66/87/999666687.db2.gz MVVHWWXJIATOTR-BJLQDIEVSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001085869294 999666688 /nfs/dbraw/zinc/66/66/88/999666688.db2.gz MVVHWWXJIATOTR-BJLQDIEVSA-N 1 2 371.456 2.711 20 30 FFEDLO N#Cc1ccc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC000741379829 999725290 /nfs/dbraw/zinc/72/52/90/999725290.db2.gz ARSQZKWAOROKST-IBGZPJMESA-N 1 2 354.381 2.642 20 30 FFEDLO N#Cc1ccc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC000741379829 999725292 /nfs/dbraw/zinc/72/52/92/999725292.db2.gz ARSQZKWAOROKST-IBGZPJMESA-N 1 2 354.381 2.642 20 30 FFEDLO C#CCCCCCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066380684 999753895 /nfs/dbraw/zinc/75/38/95/999753895.db2.gz MOUHPSRHSQQAKP-RCCFBDPRSA-N 1 2 370.497 2.594 20 30 FFEDLO C#CCCCCCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066380684 999753897 /nfs/dbraw/zinc/75/38/97/999753897.db2.gz MOUHPSRHSQQAKP-RCCFBDPRSA-N 1 2 370.497 2.594 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001066390098 999759781 /nfs/dbraw/zinc/75/97/81/999759781.db2.gz VIKGWRJJZVFTNA-AOIWGVFYSA-N 1 2 358.486 2.807 20 30 FFEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000744391754 999854120 /nfs/dbraw/zinc/85/41/20/999854120.db2.gz IIHIIJHVWRZLBI-UHFFFAOYSA-N 1 2 369.428 2.956 20 30 FFEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000744391754 999854121 /nfs/dbraw/zinc/85/41/21/999854121.db2.gz IIHIIJHVWRZLBI-UHFFFAOYSA-N 1 2 369.428 2.956 20 30 FFEDLO C#CCN1C[C@@]2(F)C[N@@H+](Cc3sc4ccccc4c3C)C[C@@]2(F)C1=O ZINC001276131337 1016379719 /nfs/dbraw/zinc/37/97/19/1016379719.db2.gz LGVUBALPLCGCNR-RBUKOAKNSA-N 1 2 360.429 2.917 20 30 FFEDLO C#CCN1C[C@@]2(F)C[N@H+](Cc3sc4ccccc4c3C)C[C@@]2(F)C1=O ZINC001276131337 1016379728 /nfs/dbraw/zinc/37/97/28/1016379728.db2.gz LGVUBALPLCGCNR-RBUKOAKNSA-N 1 2 360.429 2.917 20 30 FFEDLO CC(C)COCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001108973735 1000141190 /nfs/dbraw/zinc/14/11/90/1000141190.db2.gz STWYYEAXXPOBBU-HOJAQTOUSA-N 1 2 373.472 2.982 20 30 FFEDLO CC(C)COCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001108973735 1000141191 /nfs/dbraw/zinc/14/11/91/1000141191.db2.gz STWYYEAXXPOBBU-HOJAQTOUSA-N 1 2 373.472 2.982 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109027873 1000152452 /nfs/dbraw/zinc/15/24/52/1000152452.db2.gz ANGRLVNFVXTRTQ-PTLICHBZSA-N 1 2 371.456 2.734 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109027873 1000152453 /nfs/dbraw/zinc/15/24/53/1000152453.db2.gz ANGRLVNFVXTRTQ-PTLICHBZSA-N 1 2 371.456 2.734 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(-c2ccccc2)on1 ZINC001109090325 1000166634 /nfs/dbraw/zinc/16/66/34/1000166634.db2.gz NSXCGSGKDPGYOW-NBMRYCAZSA-N 1 2 350.422 2.723 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(-c2ccccc2)on1 ZINC001109090325 1000166635 /nfs/dbraw/zinc/16/66/35/1000166635.db2.gz NSXCGSGKDPGYOW-NBMRYCAZSA-N 1 2 350.422 2.723 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1)C(C)C ZINC001109266216 1000206736 /nfs/dbraw/zinc/20/67/36/1000206736.db2.gz QHUXELZKGSOBLD-BTHPGYMESA-N 1 2 373.472 2.980 20 30 FFEDLO CCO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1)C(C)C ZINC001109266216 1000206739 /nfs/dbraw/zinc/20/67/39/1000206739.db2.gz QHUXELZKGSOBLD-BTHPGYMESA-N 1 2 373.472 2.980 20 30 FFEDLO C[C@@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)[C@@H](C)[NH+]1CCOCC1 ZINC001144781849 1000276157 /nfs/dbraw/zinc/27/61/57/1000276157.db2.gz VPNXWXFJBFAAAO-GHMZBOCLSA-N 1 2 356.253 2.704 20 30 FFEDLO CC[C@@H](C#N)Oc1cc(CNc2nc(N(C)C)nc(C)[nH+]2)ccc1OC ZINC000768522421 1000281737 /nfs/dbraw/zinc/28/17/37/1000281737.db2.gz PMLLENWVTFIILE-AWEZNQCLSA-N 1 2 356.430 2.548 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)(C)C ZINC001109345026 1000304132 /nfs/dbraw/zinc/30/41/32/1000304132.db2.gz KSMPVTYCBGWIEW-ILXRZTDVSA-N 1 2 369.937 2.649 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)(C)C ZINC001109345026 1000304135 /nfs/dbraw/zinc/30/41/35/1000304135.db2.gz KSMPVTYCBGWIEW-ILXRZTDVSA-N 1 2 369.937 2.649 20 30 FFEDLO CN(C)c1ccnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)c1 ZINC001096648344 1016404581 /nfs/dbraw/zinc/40/45/81/1016404581.db2.gz JQJXSHUQBYYADB-URVUXULASA-N 1 2 374.488 2.534 20 30 FFEDLO CN(C)c1ccnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)c1 ZINC001096648344 1016404588 /nfs/dbraw/zinc/40/45/88/1016404588.db2.gz JQJXSHUQBYYADB-URVUXULASA-N 1 2 374.488 2.534 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1ncccc1C#N)n1cc[nH+]c1 ZINC001091295525 1000380485 /nfs/dbraw/zinc/38/04/85/1000380485.db2.gz AGEZZQDKCZRSBY-USXIJHARSA-N 1 2 352.442 2.640 20 30 FFEDLO Cc1nc(N[C@@H]2CCCC[C@H]2NC(=O)C[C@H](C)n2cc[nH+]c2)ccc1C#N ZINC001091296236 1000382101 /nfs/dbraw/zinc/38/21/01/1000382101.db2.gz WANSPPFCJGKQJP-BMGDILEWSA-N 1 2 366.469 2.949 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[C@H](C3CCC3)CC1)C2 ZINC001109417550 1000407771 /nfs/dbraw/zinc/40/77/71/1000407771.db2.gz FSGLBCOWKNQVEW-UEDWAMCQSA-N 1 2 373.541 2.617 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[C@H](C3CCC3)CC1)C2 ZINC001109417550 1000407778 /nfs/dbraw/zinc/40/77/78/1000407778.db2.gz FSGLBCOWKNQVEW-UEDWAMCQSA-N 1 2 373.541 2.617 20 30 FFEDLO NC(=O)c1ccc(C(=[NH2+])Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC001171256414 1000465022 /nfs/dbraw/zinc/46/50/22/1000465022.db2.gz IDACODYVWGHJIA-UHFFFAOYSA-N 1 2 372.428 2.753 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(C(C)=O)CC1 ZINC000846949958 1000495171 /nfs/dbraw/zinc/49/51/71/1000495171.db2.gz HVZNJGGOQCVYNH-OAHLLOKOSA-N 1 2 357.454 2.631 20 30 FFEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)c1 ZINC000769483170 1000520542 /nfs/dbraw/zinc/52/05/42/1000520542.db2.gz NIURZAIYDSVXBG-IBGZPJMESA-N 1 2 363.417 2.774 20 30 FFEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)c1 ZINC000769483170 1000520546 /nfs/dbraw/zinc/52/05/46/1000520546.db2.gz NIURZAIYDSVXBG-IBGZPJMESA-N 1 2 363.417 2.774 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccnc1OC ZINC001109563296 1000647326 /nfs/dbraw/zinc/64/73/26/1000647326.db2.gz PHBBWWZFYWNOTQ-WKRCXCSHSA-N 1 2 373.497 2.541 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccnc1OC ZINC001109563296 1000647327 /nfs/dbraw/zinc/64/73/27/1000647327.db2.gz PHBBWWZFYWNOTQ-WKRCXCSHSA-N 1 2 373.497 2.541 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2nc(C)oc2C)CC1 ZINC001000694669 1016436646 /nfs/dbraw/zinc/43/66/46/1016436646.db2.gz FRVNLBZYDNSPAJ-MJGOQNOKSA-N 1 2 359.470 2.521 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2nc(C)oc2C)CC1 ZINC001000694669 1016436650 /nfs/dbraw/zinc/43/66/50/1016436650.db2.gz FRVNLBZYDNSPAJ-MJGOQNOKSA-N 1 2 359.470 2.521 20 30 FFEDLO C[C@]12CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]1C[N@H+](C/C(Cl)=C/Cl)C2 ZINC001091606899 1000784623 /nfs/dbraw/zinc/78/46/23/1000784623.db2.gz PKWGGBQASCYEGD-BLGYCEAVSA-N 1 2 353.253 2.599 20 30 FFEDLO C[C@]12CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]1C[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001091606899 1000784626 /nfs/dbraw/zinc/78/46/26/1000784626.db2.gz PKWGGBQASCYEGD-BLGYCEAVSA-N 1 2 353.253 2.599 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cn(C)nc1C(F)F ZINC001109657247 1000796011 /nfs/dbraw/zinc/79/60/11/1000796011.db2.gz GPXLRWXXIKZUAW-ILXRZTDVSA-N 1 2 352.429 2.936 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cn(C)nc1C(F)F ZINC001109657247 1000796020 /nfs/dbraw/zinc/79/60/20/1000796020.db2.gz GPXLRWXXIKZUAW-ILXRZTDVSA-N 1 2 352.429 2.936 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091654134 1000966353 /nfs/dbraw/zinc/96/63/53/1000966353.db2.gz CGIOTQGULBLMKH-DLBZAZTESA-N 1 2 368.485 2.527 20 30 FFEDLO C[C@]12CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2 ZINC001091691069 1001062288 /nfs/dbraw/zinc/06/22/88/1001062288.db2.gz ORMRVFLKNXFUET-VYDXJSESSA-N 1 2 369.362 2.739 20 30 FFEDLO C[C@]12CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[N@@H+](Cc1ccccc1C#N)C2 ZINC001091691069 1001062294 /nfs/dbraw/zinc/06/22/94/1001062294.db2.gz ORMRVFLKNXFUET-VYDXJSESSA-N 1 2 369.362 2.739 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1CC ZINC001091761646 1001244557 /nfs/dbraw/zinc/24/45/57/1001244557.db2.gz KPJQIISBJXMJNV-RYQLBKOJSA-N 1 2 360.502 2.857 20 30 FFEDLO Cc1cc(F)ccc1[C@H](O)C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000746655954 1001671286 /nfs/dbraw/zinc/67/12/86/1001671286.db2.gz RVNVIYYMVIBXRU-GOSISDBHSA-N 1 2 370.428 2.727 20 30 FFEDLO Cc1ccc(N2CC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCC3)[C@@H](C)C2)cc1C ZINC000787255280 1001677321 /nfs/dbraw/zinc/67/73/21/1001677321.db2.gz RHMLXNLESKULBI-ZWKOTPCHSA-N 1 2 354.498 2.765 20 30 FFEDLO Cc1ccc(N2CC[N@H+]([C@H](C)C(=O)NC3(C#N)CCC3)[C@@H](C)C2)cc1C ZINC000787255280 1001677322 /nfs/dbraw/zinc/67/73/22/1001677322.db2.gz RHMLXNLESKULBI-ZWKOTPCHSA-N 1 2 354.498 2.765 20 30 FFEDLO Cc1cccn2cc(CCNC(=O)NCc3ccc(OCC#N)cc3)[nH+]c12 ZINC000746762987 1001869722 /nfs/dbraw/zinc/86/97/22/1001869722.db2.gz YUSWGDUYYCSNFD-UHFFFAOYSA-N 1 2 363.421 2.587 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C(C)=O)c1ccccc1)C2 ZINC001111437801 1016533326 /nfs/dbraw/zinc/53/33/26/1016533326.db2.gz VZCXNUYSAYCVIE-KURKYZTESA-N 1 2 361.873 2.514 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C(C)=O)c1ccccc1)C2 ZINC001111437801 1016533334 /nfs/dbraw/zinc/53/33/34/1016533334.db2.gz VZCXNUYSAYCVIE-KURKYZTESA-N 1 2 361.873 2.514 20 30 FFEDLO CCc1oncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001097960495 1016555723 /nfs/dbraw/zinc/55/57/23/1016555723.db2.gz YPQWRGKGUYNTBQ-QRQLOZEOSA-N 1 2 367.424 2.763 20 30 FFEDLO CCc1oncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001097960495 1016555738 /nfs/dbraw/zinc/55/57/38/1016555738.db2.gz YPQWRGKGUYNTBQ-QRQLOZEOSA-N 1 2 367.424 2.763 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1OCCOC)C2 ZINC001110124834 1002044718 /nfs/dbraw/zinc/04/47/18/1002044718.db2.gz AOQHMFVTIRQDNP-PVAVHDDUSA-N 1 2 364.873 2.799 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1OCCOC)C2 ZINC001110124834 1002044732 /nfs/dbraw/zinc/04/47/32/1002044732.db2.gz AOQHMFVTIRQDNP-PVAVHDDUSA-N 1 2 364.873 2.799 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C(C)(C)C)C[C@@]2(C)C1 ZINC001091917415 1002068154 /nfs/dbraw/zinc/06/81/54/1002068154.db2.gz XERDGHZERXNLTA-QRWLVFNGSA-N 1 2 359.518 2.526 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C(C)(C)C)C[C@@]2(C)C1 ZINC001091917415 1002068164 /nfs/dbraw/zinc/06/81/64/1002068164.db2.gz XERDGHZERXNLTA-QRWLVFNGSA-N 1 2 359.518 2.526 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)no1 ZINC001096768893 1016570747 /nfs/dbraw/zinc/57/07/47/1016570747.db2.gz SLSUNWBKOPZRBC-KYJSFNMBSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)no1 ZINC001096768893 1016570761 /nfs/dbraw/zinc/57/07/61/1016570761.db2.gz SLSUNWBKOPZRBC-KYJSFNMBSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)no1 ZINC001096769846 1016573870 /nfs/dbraw/zinc/57/38/70/1016573870.db2.gz FKZGLZBPKQBJKW-KYJSFNMBSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)no1 ZINC001096769846 1016573884 /nfs/dbraw/zinc/57/38/84/1016573884.db2.gz FKZGLZBPKQBJKW-KYJSFNMBSA-N 1 2 354.385 2.529 20 30 FFEDLO C#CCn1ccc(CN(CCOC)Cc2c[nH+]c(C)n2-c2ccccc2)n1 ZINC000789760727 1002181855 /nfs/dbraw/zinc/18/18/55/1002181855.db2.gz FILIGGWWEAGUCL-UHFFFAOYSA-N 1 2 363.465 2.659 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)o3)C[C@@]2(C)C1 ZINC001091978595 1002239613 /nfs/dbraw/zinc/23/96/13/1002239613.db2.gz WZXPYEOVDRSBGK-XPGWFJOJSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)o3)C[C@@]2(C)C1 ZINC001091978595 1002239620 /nfs/dbraw/zinc/23/96/20/1002239620.db2.gz WZXPYEOVDRSBGK-XPGWFJOJSA-N 1 2 358.486 2.830 20 30 FFEDLO C[C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CC1 ZINC001183828240 1002399815 /nfs/dbraw/zinc/39/98/15/1002399815.db2.gz DRSQQSVGUXAFKP-UNMCSNQZSA-N 1 2 369.509 2.924 20 30 FFEDLO C[C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)CC1 ZINC001183828240 1002399825 /nfs/dbraw/zinc/39/98/25/1002399825.db2.gz DRSQQSVGUXAFKP-UNMCSNQZSA-N 1 2 369.509 2.924 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CCOCC2 ZINC001183841345 1002406980 /nfs/dbraw/zinc/40/69/80/1002406980.db2.gz MFWTUARGDRYWGF-OALUTQOASA-N 1 2 353.466 2.598 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CCOCC2 ZINC001183841345 1002406984 /nfs/dbraw/zinc/40/69/84/1002406984.db2.gz MFWTUARGDRYWGF-OALUTQOASA-N 1 2 353.466 2.598 20 30 FFEDLO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)NCCSCc1[nH]c[nH+]c1C ZINC001183891639 1002422662 /nfs/dbraw/zinc/42/26/62/1002422662.db2.gz PTSJRYSFNYVVPD-UHFFFAOYSA-N 1 2 367.478 2.972 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(F)nc2)C3)c1 ZINC001096888080 1016680619 /nfs/dbraw/zinc/68/06/19/1016680619.db2.gz BJRULDDHRVJILR-NXHRZFHOSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(F)nc2)C3)c1 ZINC001096888080 1016680623 /nfs/dbraw/zinc/68/06/23/1016680623.db2.gz BJRULDDHRVJILR-NXHRZFHOSA-N 1 2 368.387 2.767 20 30 FFEDLO C#CC[N@@H+](C)CC(=O)N(C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000792301060 1002973027 /nfs/dbraw/zinc/97/30/27/1002973027.db2.gz IJWMHTXZWCHENF-UHFFFAOYSA-N 1 2 366.461 2.798 20 30 FFEDLO C#CC[N@H+](C)CC(=O)N(C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000792301060 1002973035 /nfs/dbraw/zinc/97/30/35/1002973035.db2.gz IJWMHTXZWCHENF-UHFFFAOYSA-N 1 2 366.461 2.798 20 30 FFEDLO CCc1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001096901592 1016711793 /nfs/dbraw/zinc/71/17/93/1016711793.db2.gz DDYUYKQSBVNFKG-ZACQAIPSSA-N 1 2 350.422 2.644 20 30 FFEDLO CCc1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001096901592 1016711796 /nfs/dbraw/zinc/71/17/96/1016711796.db2.gz DDYUYKQSBVNFKG-ZACQAIPSSA-N 1 2 350.422 2.644 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC001110371438 1003098214 /nfs/dbraw/zinc/09/82/14/1003098214.db2.gz MQBUPLIYJYUSOD-LIRZEXBASA-N 1 2 359.445 2.840 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC001110371438 1003098223 /nfs/dbraw/zinc/09/82/23/1003098223.db2.gz MQBUPLIYJYUSOD-LIRZEXBASA-N 1 2 359.445 2.840 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)Nc1ccccc1OC ZINC001110378827 1003272015 /nfs/dbraw/zinc/27/20/15/1003272015.db2.gz JOCNXSGKOGDSDF-AHCXZYCDSA-N 1 2 371.481 2.710 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)Nc1ccccc1OC ZINC001110378827 1003272020 /nfs/dbraw/zinc/27/20/20/1003272020.db2.gz JOCNXSGKOGDSDF-AHCXZYCDSA-N 1 2 371.481 2.710 20 30 FFEDLO N#Cc1c(=O)n(C[N@@H+]2CCCN(c3ccccc3)CC2)cc2c1CCCC2 ZINC000793485767 1003385168 /nfs/dbraw/zinc/38/51/68/1003385168.db2.gz CTCSJRAALHMIPZ-UHFFFAOYSA-N 1 2 362.477 2.769 20 30 FFEDLO N#Cc1c(=O)n(C[N@H+]2CCCN(c3ccccc3)CC2)cc2c1CCCC2 ZINC000793485767 1003385178 /nfs/dbraw/zinc/38/51/78/1003385178.db2.gz CTCSJRAALHMIPZ-UHFFFAOYSA-N 1 2 362.477 2.769 20 30 FFEDLO C=C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(OC)no1)c1ccccc1 ZINC001110136750 1003597323 /nfs/dbraw/zinc/59/73/23/1003597323.db2.gz NOHBHVUNEKNMQO-BVBHFADKSA-N 1 2 367.449 2.875 20 30 FFEDLO C=C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(OC)no1)c1ccccc1 ZINC001110136750 1003597332 /nfs/dbraw/zinc/59/73/32/1003597332.db2.gz NOHBHVUNEKNMQO-BVBHFADKSA-N 1 2 367.449 2.875 20 30 FFEDLO Cc1nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)(C)C)C3)c2c([nH+]1)CCCC2 ZINC001092828060 1003623791 /nfs/dbraw/zinc/62/37/91/1003623791.db2.gz GSBYNVLUQCKTDW-MNEFBYGVSA-N 1 2 366.509 2.939 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O)C1CCCCC1 ZINC001196854764 1003992988 /nfs/dbraw/zinc/99/29/88/1003992988.db2.gz WITXMVQRFFUJMK-ZLGUVYLKSA-N 1 2 369.509 2.826 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O)C1CCCCC1 ZINC001196854764 1003992994 /nfs/dbraw/zinc/99/29/94/1003992994.db2.gz WITXMVQRFFUJMK-ZLGUVYLKSA-N 1 2 369.509 2.826 20 30 FFEDLO CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)c1c(F)cc(C#N)cc1F)C2 ZINC001191919635 1003997250 /nfs/dbraw/zinc/99/72/50/1003997250.db2.gz VAXBQEDJTQFPCM-UHFFFAOYSA-N 1 2 373.407 2.598 20 30 FFEDLO CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)c1c(F)cc(C#N)cc1F)C2 ZINC001191919635 1003997256 /nfs/dbraw/zinc/99/72/56/1003997256.db2.gz VAXBQEDJTQFPCM-UHFFFAOYSA-N 1 2 373.407 2.598 20 30 FFEDLO N#Cc1cc(F)c(C(=O)N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c(F)c1 ZINC001191928326 1004000284 /nfs/dbraw/zinc/00/02/84/1004000284.db2.gz RUQLBKVKMGRDBH-AWEZNQCLSA-N 1 2 355.335 2.782 20 30 FFEDLO CCC(=CC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O)CC ZINC001192206018 1004085719 /nfs/dbraw/zinc/08/57/19/1004085719.db2.gz OHCHNVJIURGDED-RTBURBONSA-N 1 2 360.885 2.599 20 30 FFEDLO CCC(=CC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O)CC ZINC001192206018 1004085725 /nfs/dbraw/zinc/08/57/25/1004085725.db2.gz OHCHNVJIURGDED-RTBURBONSA-N 1 2 360.885 2.599 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@H]1O ZINC001192374792 1004146858 /nfs/dbraw/zinc/14/68/58/1004146858.db2.gz KNPSNRUZEVHUDZ-FSPWUOQZSA-N 1 2 366.864 2.895 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@H]1O ZINC001192374792 1004146865 /nfs/dbraw/zinc/14/68/65/1004146865.db2.gz KNPSNRUZEVHUDZ-FSPWUOQZSA-N 1 2 366.864 2.895 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2c(Cl)oc3ccccc32)C[C@H]1O ZINC001192510677 1004182594 /nfs/dbraw/zinc/18/25/94/1004182594.db2.gz PCWNAHXVWJYDKS-HZPDHXFCSA-N 1 2 360.841 2.551 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2c(Cl)oc3ccccc32)C[C@H]1O ZINC001192510677 1004182597 /nfs/dbraw/zinc/18/25/97/1004182597.db2.gz PCWNAHXVWJYDKS-HZPDHXFCSA-N 1 2 360.841 2.551 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnnn2C)CCCCC1 ZINC001111441209 1016862044 /nfs/dbraw/zinc/86/20/44/1016862044.db2.gz AZNAHGIFRYZKDQ-NXHRZFHOSA-N 1 2 357.502 2.563 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnnn2C)CCCCC1 ZINC001111441209 1016862054 /nfs/dbraw/zinc/86/20/54/1016862054.db2.gz AZNAHGIFRYZKDQ-NXHRZFHOSA-N 1 2 357.502 2.563 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c2ccccc2n1 ZINC001110494752 1004316854 /nfs/dbraw/zinc/31/68/54/1004316854.db2.gz WJUIUQOWBGZZEK-AHRSYUTCSA-N 1 2 362.477 2.963 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c2ccccc2n1 ZINC001110494752 1004316861 /nfs/dbraw/zinc/31/68/61/1004316861.db2.gz WJUIUQOWBGZZEK-AHRSYUTCSA-N 1 2 362.477 2.963 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)c2ncc(C)o2)C1 ZINC001130664001 1004347054 /nfs/dbraw/zinc/34/70/54/1004347054.db2.gz AWBIHPFHAOIPPR-XYJFISCASA-N 1 2 371.485 2.718 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1nc2ccccc2c(C)c1C(=O)OCC)[C@@H]1CCCO1 ZINC000775794979 1004404046 /nfs/dbraw/zinc/40/40/46/1004404046.db2.gz ULZJDZPDWRMAOM-APWZRJJASA-N 1 2 352.434 2.990 20 30 FFEDLO C[C@@H]1CCc2c1n[nH]c2C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001198464253 1004626593 /nfs/dbraw/zinc/62/65/93/1004626593.db2.gz SJBAPZHRERXSFV-OAHLLOKOSA-N 1 2 363.465 2.748 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2COC(=O)N2CCCC2)cc1 ZINC001194214160 1004680110 /nfs/dbraw/zinc/68/01/10/1004680110.db2.gz VJSZEEICQXXPPP-GOSISDBHSA-N 1 2 370.453 2.584 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2COC(=O)N2CCCC2)cc1 ZINC001194214160 1004680114 /nfs/dbraw/zinc/68/01/14/1004680114.db2.gz VJSZEEICQXXPPP-GOSISDBHSA-N 1 2 370.453 2.584 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)c2ncc(C)o2)C1 ZINC001131059814 1004689931 /nfs/dbraw/zinc/68/99/31/1004689931.db2.gz JXNYFHAPTHRIHR-BRWVUGGUSA-N 1 2 371.485 2.718 20 30 FFEDLO CC(C)=CCC[C@H](C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131079520 1004714726 /nfs/dbraw/zinc/71/47/26/1004714726.db2.gz NQBWBECXLHBYLY-RCCFBDPRSA-N 1 2 357.502 2.600 20 30 FFEDLO CCC(C)(CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001198842732 1004761229 /nfs/dbraw/zinc/76/12/29/1004761229.db2.gz YFCGSTZXTDCUAO-QZTJIDSGSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC(C)(CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001198842732 1004761233 /nfs/dbraw/zinc/76/12/33/1004761233.db2.gz YFCGSTZXTDCUAO-QZTJIDSGSA-N 1 2 362.901 2.679 20 30 FFEDLO CC(C)(C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110464407 1004863658 /nfs/dbraw/zinc/86/36/58/1004863658.db2.gz VUTQGVZDCGEZGX-NXHRZFHOSA-N 1 2 359.445 2.734 20 30 FFEDLO CC(C)(C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110464407 1004863662 /nfs/dbraw/zinc/86/36/62/1004863662.db2.gz VUTQGVZDCGEZGX-NXHRZFHOSA-N 1 2 359.445 2.734 20 30 FFEDLO CCC[C@H](CC(C)C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001199253737 1004885775 /nfs/dbraw/zinc/88/57/75/1004885775.db2.gz XDOTWUATNWLMRT-NJDAHSKKSA-N 1 2 356.510 2.662 20 30 FFEDLO CCC[C@H](CC(C)C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001199253737 1004885777 /nfs/dbraw/zinc/88/57/77/1004885777.db2.gz XDOTWUATNWLMRT-NJDAHSKKSA-N 1 2 356.510 2.662 20 30 FFEDLO C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110531818 1004929608 /nfs/dbraw/zinc/92/96/08/1004929608.db2.gz OOTFYWLMGXQCPU-AITUJVMLSA-N 1 2 373.541 2.595 20 30 FFEDLO C[C@@H](C(=O)NC1CCCCC1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110531818 1004929616 /nfs/dbraw/zinc/92/96/16/1004929616.db2.gz OOTFYWLMGXQCPU-AITUJVMLSA-N 1 2 373.541 2.595 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001195312580 1004939979 /nfs/dbraw/zinc/93/99/79/1004939979.db2.gz RHFIQFCMCWOWNA-HUUCEWRRSA-N 1 2 356.388 2.579 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001195312580 1004939985 /nfs/dbraw/zinc/93/99/85/1004939985.db2.gz RHFIQFCMCWOWNA-HUUCEWRRSA-N 1 2 356.388 2.579 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@H]1O ZINC001195483286 1004973793 /nfs/dbraw/zinc/97/37/93/1004973793.db2.gz GNPZRJNTKGZZHF-FSPWUOQZSA-N 1 2 366.864 2.895 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@H]1O ZINC001195483286 1004973798 /nfs/dbraw/zinc/97/37/98/1004973798.db2.gz GNPZRJNTKGZZHF-FSPWUOQZSA-N 1 2 366.864 2.895 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2Cl)C[C@H]1O ZINC001195548611 1004989002 /nfs/dbraw/zinc/98/90/02/1004989002.db2.gz DKWUSXDITWRGSM-NUEKZKHPSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2Cl)C[C@H]1O ZINC001195548611 1004989008 /nfs/dbraw/zinc/98/90/08/1004989008.db2.gz DKWUSXDITWRGSM-NUEKZKHPSA-N 1 2 366.889 2.612 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1c(F)cccc1F ZINC001110545184 1005064810 /nfs/dbraw/zinc/06/48/10/1005064810.db2.gz XVEDSIBHOGCOSB-DTDBQYNISA-N 1 2 362.420 2.787 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1c(F)cccc1F ZINC001110545184 1005064814 /nfs/dbraw/zinc/06/48/14/1005064814.db2.gz XVEDSIBHOGCOSB-DTDBQYNISA-N 1 2 362.420 2.787 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1)C(C)C ZINC001110547152 1005080104 /nfs/dbraw/zinc/08/01/04/1005080104.db2.gz CPEGUZAUBKCILF-LMCOJAPRSA-N 1 2 373.472 2.980 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1)C(C)C ZINC001110547152 1005080107 /nfs/dbraw/zinc/08/01/07/1005080107.db2.gz CPEGUZAUBKCILF-LMCOJAPRSA-N 1 2 373.472 2.980 20 30 FFEDLO C=CCC1(C(=O)N(C)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)CCC1 ZINC001487680052 1005091207 /nfs/dbraw/zinc/09/12/07/1005091207.db2.gz PPUJOVOZBMJOBA-NUJGCVRESA-N 1 2 370.497 2.613 20 30 FFEDLO C=CCC1(C(=O)N(C)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)CCC1 ZINC001487680052 1005091213 /nfs/dbraw/zinc/09/12/13/1005091213.db2.gz PPUJOVOZBMJOBA-NUJGCVRESA-N 1 2 370.497 2.613 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C2CC2)no1 ZINC001098019946 1016963455 /nfs/dbraw/zinc/96/34/55/1016963455.db2.gz VUNMZUADRXYAPX-FVUMXFQUSA-N 1 2 371.481 2.755 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C2CC2)no1 ZINC001098019946 1016963462 /nfs/dbraw/zinc/96/34/62/1016963462.db2.gz VUNMZUADRXYAPX-FVUMXFQUSA-N 1 2 371.481 2.755 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC(C)C)OC)[C@H]1CC ZINC001489131998 1005416831 /nfs/dbraw/zinc/41/68/31/1005416831.db2.gz DEXKVZWRMRQZMQ-RRFJBIMHSA-N 1 2 361.324 2.925 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC(C)C)OC)[C@H]1CC ZINC001489131998 1005416832 /nfs/dbraw/zinc/41/68/32/1005416832.db2.gz DEXKVZWRMRQZMQ-RRFJBIMHSA-N 1 2 361.324 2.925 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CCCC(C)=O)C1 ZINC001489095884 1005407158 /nfs/dbraw/zinc/40/71/58/1005407158.db2.gz AMYYUFVBKXGSLG-WOJBJXKFSA-N 1 2 358.457 2.882 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CCCC(C)=O)C1 ZINC001489095884 1005407159 /nfs/dbraw/zinc/40/71/59/1005407159.db2.gz AMYYUFVBKXGSLG-WOJBJXKFSA-N 1 2 358.457 2.882 20 30 FFEDLO CCO[C@@H](CC)C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001489104362 1005409934 /nfs/dbraw/zinc/40/99/34/1005409934.db2.gz AIFYOROOJBMIFY-OTWHNJEPSA-N 1 2 361.461 2.982 20 30 FFEDLO CCO[C@@H](CC)C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001489104362 1005409935 /nfs/dbraw/zinc/40/99/35/1005409935.db2.gz AIFYOROOJBMIFY-OTWHNJEPSA-N 1 2 361.461 2.982 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C)n3CCC)CC[C@@H]2C1 ZINC001489191436 1005427752 /nfs/dbraw/zinc/42/77/52/1005427752.db2.gz ORCFSRKRYMKPMN-MSOLQXFVSA-N 1 2 359.518 2.633 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C)n3CCC)CC[C@@H]2C1 ZINC001489191436 1005427754 /nfs/dbraw/zinc/42/77/54/1005427754.db2.gz ORCFSRKRYMKPMN-MSOLQXFVSA-N 1 2 359.518 2.633 20 30 FFEDLO Cc1ccc(-c2noc(C[N@H+]3CC[C@H](NC(=O)C#CC(C)C)[C@H]3C)n2)cc1 ZINC001489261792 1005442584 /nfs/dbraw/zinc/44/25/84/1005442584.db2.gz FPQVJAKECLUBBF-AEFFLSMTSA-N 1 2 366.465 2.783 20 30 FFEDLO Cc1ccc(-c2noc(C[N@@H+]3CC[C@H](NC(=O)C#CC(C)C)[C@H]3C)n2)cc1 ZINC001489261792 1005442585 /nfs/dbraw/zinc/44/25/85/1005442585.db2.gz FPQVJAKECLUBBF-AEFFLSMTSA-N 1 2 366.465 2.783 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001489696186 1005547732 /nfs/dbraw/zinc/54/77/32/1005547732.db2.gz PIWYKRRFGKKKIM-ARFHVFGLSA-N 1 2 358.486 2.730 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001489889370 1005562076 /nfs/dbraw/zinc/56/20/76/1005562076.db2.gz FQOJLAMDZDKKNX-DLBZAZTESA-N 1 2 366.465 2.543 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@@H]1C ZINC001490098521 1005660255 /nfs/dbraw/zinc/66/02/55/1005660255.db2.gz QMXKFFMVGJWCRW-SQNIBIBYSA-N 1 2 360.502 2.932 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccc(C)cc1 ZINC001110610512 1005670517 /nfs/dbraw/zinc/67/05/17/1005670517.db2.gz GWTKCAYQUAKTAF-AQNXPRMDSA-N 1 2 369.509 2.689 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccc(C)cc1 ZINC001110610512 1005670518 /nfs/dbraw/zinc/67/05/18/1005670518.db2.gz GWTKCAYQUAKTAF-AQNXPRMDSA-N 1 2 369.509 2.689 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1)OCC ZINC001110612541 1005718811 /nfs/dbraw/zinc/71/88/11/1005718811.db2.gz GSHPVVJVIDDZIV-YRXWBPOGSA-N 1 2 361.461 2.814 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1)OCC ZINC001110612541 1005718813 /nfs/dbraw/zinc/71/88/13/1005718813.db2.gz GSHPVVJVIDDZIV-YRXWBPOGSA-N 1 2 361.461 2.814 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)o1)OCC ZINC001110612583 1005719072 /nfs/dbraw/zinc/71/90/72/1005719072.db2.gz IMIUVOASTFUVPK-ZJPYXAASSA-N 1 2 361.486 2.884 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)o1)OCC ZINC001110612583 1005719074 /nfs/dbraw/zinc/71/90/74/1005719074.db2.gz IMIUVOASTFUVPK-ZJPYXAASSA-N 1 2 361.486 2.884 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001490676636 1005752119 /nfs/dbraw/zinc/75/21/19/1005752119.db2.gz YDEYBXKPBBOBTF-JHNDHUHGSA-N 1 2 370.497 2.680 20 30 FFEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852330976 1005981966 /nfs/dbraw/zinc/98/19/66/1005981966.db2.gz VBNWKJPCTRGRBR-OAQYLSRUSA-N 1 2 359.433 2.839 20 30 FFEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852330976 1005981971 /nfs/dbraw/zinc/98/19/71/1005981971.db2.gz VBNWKJPCTRGRBR-OAQYLSRUSA-N 1 2 359.433 2.839 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001187217416 1005985415 /nfs/dbraw/zinc/98/54/15/1005985415.db2.gz RQKRVOYVJZZMGZ-BHYGNILZSA-N 1 2 359.470 2.566 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001187217416 1005985423 /nfs/dbraw/zinc/98/54/23/1005985423.db2.gz RQKRVOYVJZZMGZ-BHYGNILZSA-N 1 2 359.470 2.566 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2SC[C@@H](O)C(F)(F)F)CC1 ZINC001187788087 1006264108 /nfs/dbraw/zinc/26/41/08/1006264108.db2.gz GENJRGRRGSRXMA-OAHLLOKOSA-N 1 2 374.428 2.646 20 30 FFEDLO CCc1ccc(C#CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000814380815 1006267671 /nfs/dbraw/zinc/26/76/71/1006267671.db2.gz SAHIOIBAXTZRRE-JOCHJYFZSA-N 1 2 362.473 2.618 20 30 FFEDLO CCc1ccc(C#CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000814380815 1006267680 /nfs/dbraw/zinc/26/76/80/1006267680.db2.gz SAHIOIBAXTZRRE-JOCHJYFZSA-N 1 2 362.473 2.618 20 30 FFEDLO CCC(CC)n1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC(C)C)[C@@H]3C2)n1 ZINC001187840323 1006268787 /nfs/dbraw/zinc/26/87/87/1006268787.db2.gz DOCSMFYNFQFCRT-FXAWDEMLSA-N 1 2 356.514 2.936 20 30 FFEDLO CCC(CC)n1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C#CC(C)C)[C@@H]3C2)n1 ZINC001187840323 1006268793 /nfs/dbraw/zinc/26/87/93/1006268793.db2.gz DOCSMFYNFQFCRT-FXAWDEMLSA-N 1 2 356.514 2.936 20 30 FFEDLO Cc1ccc(N2CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)C2)cc1C ZINC000747972322 1006421079 /nfs/dbraw/zinc/42/10/79/1006421079.db2.gz YDVPDGZKQSTYJF-GHTZIAJQSA-N 1 2 356.514 2.868 20 30 FFEDLO Cc1ccc(N2CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)C2)cc1C ZINC000747972322 1006421085 /nfs/dbraw/zinc/42/10/85/1006421085.db2.gz YDVPDGZKQSTYJF-GHTZIAJQSA-N 1 2 356.514 2.868 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3CC[C@H](C4CCCCC4)C3=O)C2)nc1 ZINC000853514242 1006423077 /nfs/dbraw/zinc/42/30/77/1006423077.db2.gz GVQLJWWFTDLCGG-RTBURBONSA-N 1 2 368.481 2.793 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3CC[C@H](C4CCCCC4)C3=O)C2)nc1 ZINC000853514242 1006423082 /nfs/dbraw/zinc/42/30/82/1006423082.db2.gz GVQLJWWFTDLCGG-RTBURBONSA-N 1 2 368.481 2.793 20 30 FFEDLO CC[C@@]1(c2ccc(C)cc2)CC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853523468 1006426726 /nfs/dbraw/zinc/42/67/26/1006426726.db2.gz FDSPZWXNNWBDTR-UTKZUKDTSA-N 1 2 353.466 2.985 20 30 FFEDLO CC[C@@]1(c2ccc(C)cc2)CC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853523468 1006426733 /nfs/dbraw/zinc/42/67/33/1006426733.db2.gz FDSPZWXNNWBDTR-UTKZUKDTSA-N 1 2 353.466 2.985 20 30 FFEDLO N#Cc1ccc(CCON=C(N)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000853685097 1006504053 /nfs/dbraw/zinc/50/40/53/1006504053.db2.gz CKPIPJVMQRHPNT-HXUWFJFHSA-N 1 2 364.449 2.500 20 30 FFEDLO N#Cc1ccc(CCON=C(N)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000853685097 1006504065 /nfs/dbraw/zinc/50/40/65/1006504065.db2.gz CKPIPJVMQRHPNT-HXUWFJFHSA-N 1 2 364.449 2.500 20 30 FFEDLO COc1ccc(C#N)cc1C[NH+]1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000854081187 1006666935 /nfs/dbraw/zinc/66/69/35/1006666935.db2.gz QNKPCZWQOGRBBI-UHFFFAOYSA-N 1 2 361.405 2.785 20 30 FFEDLO N#Cc1ccc(NC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CCCC2)cn1 ZINC001110685121 1006813250 /nfs/dbraw/zinc/81/32/50/1006813250.db2.gz JBYXTEVLIPTEAG-KZNAEPCWSA-N 1 2 364.453 2.567 20 30 FFEDLO N#Cc1ccc(NC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CCCC2)cn1 ZINC001110685121 1006813265 /nfs/dbraw/zinc/81/32/65/1006813265.db2.gz JBYXTEVLIPTEAG-KZNAEPCWSA-N 1 2 364.453 2.567 20 30 FFEDLO COc1cc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)ccc1C#N ZINC000854411940 1006817973 /nfs/dbraw/zinc/81/79/73/1006817973.db2.gz ZZZYKGKUCFJGAT-UHFFFAOYSA-N 1 2 370.478 2.801 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3C)C[C@H]21 ZINC001188999734 1006840969 /nfs/dbraw/zinc/84/09/69/1006840969.db2.gz YYNHQFVGDKMQST-PKOBYXMFSA-N 1 2 355.482 2.823 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccccc3C)C[C@H]21 ZINC001188999734 1006840981 /nfs/dbraw/zinc/84/09/81/1006840981.db2.gz YYNHQFVGDKMQST-PKOBYXMFSA-N 1 2 355.482 2.823 20 30 FFEDLO CCOCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206196795 1032181452 /nfs/dbraw/zinc/18/14/52/1032181452.db2.gz DRBNYUPIZSCLBO-VQIMIIECSA-N 1 2 362.901 2.945 20 30 FFEDLO CCOCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206196795 1032181459 /nfs/dbraw/zinc/18/14/59/1032181459.db2.gz DRBNYUPIZSCLBO-VQIMIIECSA-N 1 2 362.901 2.945 20 30 FFEDLO C=CCC1(O)CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000884062307 1007199745 /nfs/dbraw/zinc/19/97/45/1007199745.db2.gz NDXFBOOEFRWBAZ-UHFFFAOYSA-N 1 2 358.486 2.685 20 30 FFEDLO CSc1ccc(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cc1C#N ZINC000884643267 1007500201 /nfs/dbraw/zinc/50/02/01/1007500201.db2.gz BQIWUXKWUJOONG-OAHLLOKOSA-N 1 2 369.494 2.891 20 30 FFEDLO CSc1ccc(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cc1C#N ZINC000884643267 1007500207 /nfs/dbraw/zinc/50/02/07/1007500207.db2.gz BQIWUXKWUJOONG-OAHLLOKOSA-N 1 2 369.494 2.891 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)co1 ZINC001095332582 1007562880 /nfs/dbraw/zinc/56/28/80/1007562880.db2.gz WUJQNJZOYYVXFT-RYRKJORJSA-N 1 2 350.422 2.644 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)co1 ZINC001095332582 1007562894 /nfs/dbraw/zinc/56/28/94/1007562894.db2.gz WUJQNJZOYYVXFT-RYRKJORJSA-N 1 2 350.422 2.644 20 30 FFEDLO C#CCCN(CCOC)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000856390515 1007801265 /nfs/dbraw/zinc/80/12/65/1007801265.db2.gz SAWKHDBGGDBZOX-UHFFFAOYSA-N 1 2 352.438 2.509 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCS3)n2Cc2ccccc2)CC1 ZINC000818224662 1007887957 /nfs/dbraw/zinc/88/79/57/1007887957.db2.gz HBGDGZOIZJJBQE-GOSISDBHSA-N 1 2 367.522 2.650 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc2c1CCN2C(=O)OC(C)(C)C ZINC000819456373 1008138351 /nfs/dbraw/zinc/13/83/51/1008138351.db2.gz LZAMVMBFUCZYNV-OAHLLOKOSA-N 1 2 374.485 2.602 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc2c1CCN2C(=O)OC(C)(C)C ZINC000819456373 1008138356 /nfs/dbraw/zinc/13/83/56/1008138356.db2.gz LZAMVMBFUCZYNV-OAHLLOKOSA-N 1 2 374.485 2.602 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc2c1CCN2C(=O)OC(C)(C)C ZINC000819456372 1008138537 /nfs/dbraw/zinc/13/85/37/1008138537.db2.gz LZAMVMBFUCZYNV-HNNXBMFYSA-N 1 2 374.485 2.602 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc2c1CCN2C(=O)OC(C)(C)C ZINC000819456372 1008138540 /nfs/dbraw/zinc/13/85/40/1008138540.db2.gz LZAMVMBFUCZYNV-HNNXBMFYSA-N 1 2 374.485 2.602 20 30 FFEDLO CCOCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)CC1 ZINC001110738839 1008246637 /nfs/dbraw/zinc/24/66/37/1008246637.db2.gz VYVRODVRAXDFEL-AQNXPRMDSA-N 1 2 370.468 2.715 20 30 FFEDLO CCOCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)CC1 ZINC001110738839 1008246640 /nfs/dbraw/zinc/24/66/40/1008246640.db2.gz VYVRODVRAXDFEL-AQNXPRMDSA-N 1 2 370.468 2.715 20 30 FFEDLO COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000821619997 1008480442 /nfs/dbraw/zinc/48/04/42/1008480442.db2.gz UXGPDEJSDFZYRF-IBGZPJMESA-N 1 2 374.400 2.901 20 30 FFEDLO Cc1ccc(NC(=O)N2CCN(c3ccsc3C#N)CC2)c(N(C)C)[nH+]1 ZINC000822078696 1008516152 /nfs/dbraw/zinc/51/61/52/1008516152.db2.gz RQYVJPFWXNTTMJ-UHFFFAOYSA-N 1 2 370.482 2.743 20 30 FFEDLO COC(=O)c1ccc(F)c2c1C[N@H+](C[C@H](O)c1ccc(C#N)cc1)CC2 ZINC000859527841 1008545081 /nfs/dbraw/zinc/54/50/81/1008545081.db2.gz DWVCZDHOYVQTLK-IBGZPJMESA-N 1 2 354.381 2.576 20 30 FFEDLO COC(=O)c1ccc(F)c2c1C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)CC2 ZINC000859527841 1008545091 /nfs/dbraw/zinc/54/50/91/1008545091.db2.gz DWVCZDHOYVQTLK-IBGZPJMESA-N 1 2 354.381 2.576 20 30 FFEDLO Cc1nscc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095333913 1008557455 /nfs/dbraw/zinc/55/74/55/1008557455.db2.gz PXCFSGGQDJNUMD-NJAFHUGGSA-N 1 2 352.463 2.859 20 30 FFEDLO Cc1nscc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095333913 1008557466 /nfs/dbraw/zinc/55/74/66/1008557466.db2.gz PXCFSGGQDJNUMD-NJAFHUGGSA-N 1 2 352.463 2.859 20 30 FFEDLO COC(=O)c1ccc(C(=[NH2+])Nc2ccc3nnc(C(F)(F)F)n3c2)cc1 ZINC001170984673 1008576285 /nfs/dbraw/zinc/57/62/85/1008576285.db2.gz WMTPXEFAYBUQAH-UHFFFAOYSA-N 1 2 363.299 2.572 20 30 FFEDLO C[C@H](C[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1)NC(=O)OC(C)(C)C ZINC000860093586 1008827648 /nfs/dbraw/zinc/82/76/48/1008827648.db2.gz DUGXGVPHUPVQAF-CYBMUJFWSA-N 1 2 371.441 2.953 20 30 FFEDLO C[C@H](C[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1)NC(=O)OC(C)(C)C ZINC000860093586 1008827665 /nfs/dbraw/zinc/82/76/65/1008827665.db2.gz DUGXGVPHUPVQAF-CYBMUJFWSA-N 1 2 371.441 2.953 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)co1 ZINC001095351053 1008877175 /nfs/dbraw/zinc/87/71/75/1008877175.db2.gz URZAOZHQBSJMGZ-HFTRVMKXSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)co1 ZINC001095351053 1008877190 /nfs/dbraw/zinc/87/71/90/1008877190.db2.gz URZAOZHQBSJMGZ-HFTRVMKXSA-N 1 2 354.385 2.529 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ncc(-c3cccs3)o2)C[C@H]1C ZINC001206620580 1032368474 /nfs/dbraw/zinc/36/84/74/1032368474.db2.gz UKJXKKVDAXRZRR-ZIAGYGMSSA-N 1 2 361.467 2.542 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2ncc(-c3cccs3)o2)C[C@H]1C ZINC001206620580 1032368483 /nfs/dbraw/zinc/36/84/83/1032368483.db2.gz UKJXKKVDAXRZRR-ZIAGYGMSSA-N 1 2 361.467 2.542 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1)OCC ZINC001093018358 1009619135 /nfs/dbraw/zinc/61/91/35/1009619135.db2.gz FDXPJCIDWYXYIV-ZJPYXAASSA-N 1 2 372.513 2.945 20 30 FFEDLO COCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110810400 1009655294 /nfs/dbraw/zinc/65/52/94/1009655294.db2.gz TZAOYJWOJXPIEU-NXHRZFHOSA-N 1 2 359.445 2.591 20 30 FFEDLO COCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110810400 1009655303 /nfs/dbraw/zinc/65/53/03/1009655303.db2.gz TZAOYJWOJXPIEU-NXHRZFHOSA-N 1 2 359.445 2.591 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)c3ccc(CC#N)cc3)C2)cc1 ZINC000826598012 1009746070 /nfs/dbraw/zinc/74/60/70/1009746070.db2.gz OOQVMETUJGLGBX-OAQYLSRUSA-N 1 2 363.461 2.692 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)c3ccc(CC#N)cc3)C2)cc1 ZINC000826598012 1009746084 /nfs/dbraw/zinc/74/60/84/1009746084.db2.gz OOQVMETUJGLGBX-OAQYLSRUSA-N 1 2 363.461 2.692 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3conc3Cc3ccccc3)CC2)cn1 ZINC000862423133 1009835635 /nfs/dbraw/zinc/83/56/35/1009835635.db2.gz PCMOLIMWNLAVCE-UHFFFAOYSA-N 1 2 359.433 2.854 20 30 FFEDLO Cc1ccccc1-n1cc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)cn1 ZINC000862422724 1009836189 /nfs/dbraw/zinc/83/61/89/1009836189.db2.gz HYWNJPIGVTXERE-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F)n1cccc1 ZINC001095318429 1009861356 /nfs/dbraw/zinc/86/13/56/1009861356.db2.gz YKGSVVHHXFVEFL-KTGNWYGMSA-N 1 2 366.440 2.982 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F)n1cccc1 ZINC001095318429 1009861373 /nfs/dbraw/zinc/86/13/73/1009861373.db2.gz YKGSVVHHXFVEFL-KTGNWYGMSA-N 1 2 366.440 2.982 20 30 FFEDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1 ZINC001181182640 1010007027 /nfs/dbraw/zinc/00/70/27/1010007027.db2.gz OXKOPIVRSNMWFR-UHFFFAOYSA-N 1 2 352.413 2.709 20 30 FFEDLO COc1cncc(CO[NH+]=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000863452905 1010216192 /nfs/dbraw/zinc/21/61/92/1010216192.db2.gz ZUKJCBRKGFYAMB-UHFFFAOYSA-N 1 2 357.370 2.544 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(CC)c2)C[C@H]1C ZINC001206886982 1032480977 /nfs/dbraw/zinc/48/09/77/1032480977.db2.gz PPLYNFBDFFQCGT-YLJYHZDGSA-N 1 2 369.509 2.818 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(CC)c2)C[C@H]1C ZINC001206886982 1032480984 /nfs/dbraw/zinc/48/09/84/1032480984.db2.gz PPLYNFBDFFQCGT-YLJYHZDGSA-N 1 2 369.509 2.818 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C(C)C)cc2)C[C@H]1C ZINC001206912661 1032494073 /nfs/dbraw/zinc/49/40/73/1032494073.db2.gz WSOMKLOQOPRCTP-YLJYHZDGSA-N 1 2 369.509 2.989 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C(C)C)cc2)C[C@H]1C ZINC001206912661 1032494075 /nfs/dbraw/zinc/49/40/75/1032494075.db2.gz WSOMKLOQOPRCTP-YLJYHZDGSA-N 1 2 369.509 2.989 20 30 FFEDLO C#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000120468503 1010754137 /nfs/dbraw/zinc/75/41/37/1010754137.db2.gz POGNLTYQDWVRHT-OAHLLOKOSA-N 1 2 354.385 2.633 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc(-c3ccccc3)no2)C[C@H]1C ZINC001206939340 1032513930 /nfs/dbraw/zinc/51/39/30/1032513930.db2.gz AMLWWQHMUCEAGY-JFIYKMOQSA-N 1 2 366.465 2.894 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc(-c3ccccc3)no2)C[C@H]1C ZINC001206939340 1032513932 /nfs/dbraw/zinc/51/39/32/1032513932.db2.gz AMLWWQHMUCEAGY-JFIYKMOQSA-N 1 2 366.465 2.894 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)cc1 ZINC000121107372 1011009638 /nfs/dbraw/zinc/00/96/38/1011009638.db2.gz PLBQYARGBMNNAA-SFHVURJKSA-N 1 2 353.418 2.765 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)cc1 ZINC000121107372 1011009643 /nfs/dbraw/zinc/00/96/43/1011009643.db2.gz PLBQYARGBMNNAA-SFHVURJKSA-N 1 2 353.418 2.765 20 30 FFEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3c3sccc3C)nn2)C1 ZINC001094289608 1011014510 /nfs/dbraw/zinc/01/45/10/1011014510.db2.gz QXZLTFAZYOUYQB-IAGOWNOFSA-N 1 2 371.510 2.501 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccnc1OC ZINC001110859904 1011252803 /nfs/dbraw/zinc/25/28/03/1011252803.db2.gz PHBBWWZFYWNOTQ-WIRSXHRWSA-N 1 2 373.497 2.541 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccnc1OC ZINC001110859904 1011252819 /nfs/dbraw/zinc/25/28/19/1011252819.db2.gz PHBBWWZFYWNOTQ-WIRSXHRWSA-N 1 2 373.497 2.541 20 30 FFEDLO COC(=O)[C@H](CS)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171582600 1011391652 /nfs/dbraw/zinc/39/16/52/1011391652.db2.gz RGUJVTZVKCHHHI-MELADBBJSA-N 1 2 374.547 2.862 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH2+]C[C@@H]2C#N)C[C@@H]1C(C)(C)C ZINC001171602267 1011398665 /nfs/dbraw/zinc/39/86/65/1011398665.db2.gz RVVQJPOJUVEINA-HRCADAONSA-N 1 2 350.507 2.598 20 30 FFEDLO CC[C@@H]1C[C@H](N2CC[NH2+]C[C@H]2C#N)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171821417 1011473710 /nfs/dbraw/zinc/47/37/10/1011473710.db2.gz SFOHDVQCYWENBE-LTIDMASMSA-N 1 2 350.507 2.740 20 30 FFEDLO N#Cc1cccc(CC(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)c1 ZINC001274946940 1011769887 /nfs/dbraw/zinc/76/98/87/1011769887.db2.gz KOKZVGPRDNJXKK-UHFFFAOYSA-N 1 2 351.372 2.730 20 30 FFEDLO N#Cc1cccc(CC(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)c1 ZINC001274946940 1011769897 /nfs/dbraw/zinc/76/98/97/1011769897.db2.gz KOKZVGPRDNJXKK-UHFFFAOYSA-N 1 2 351.372 2.730 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(C#N)c1 ZINC001274947882 1011771201 /nfs/dbraw/zinc/77/12/01/1011771201.db2.gz UHLGZRNFHDVRCT-HDICACEKSA-N 1 2 366.490 2.741 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(C#N)c1 ZINC001274947882 1011771209 /nfs/dbraw/zinc/77/12/09/1011771209.db2.gz UHLGZRNFHDVRCT-HDICACEKSA-N 1 2 366.490 2.741 20 30 FFEDLO N#Cc1cccc(CN2C[C@]3(CC2=O)CCCC[N@@H+]3Cc2cocn2)c1 ZINC001275022249 1011830806 /nfs/dbraw/zinc/83/08/06/1011830806.db2.gz PETBVWYURKAWSN-HXUWFJFHSA-N 1 2 350.422 2.703 20 30 FFEDLO N#Cc1cccc(CN2C[C@]3(CC2=O)CCCC[N@H+]3Cc2cocn2)c1 ZINC001275022249 1011830816 /nfs/dbraw/zinc/83/08/16/1011830816.db2.gz PETBVWYURKAWSN-HXUWFJFHSA-N 1 2 350.422 2.703 20 30 FFEDLO CCCCCCCC[N@@H+]1C[C@]2(F)CN(Cc3ncccn3)C(=O)[C@]2(F)C1 ZINC001275113495 1011955908 /nfs/dbraw/zinc/95/59/08/1011955908.db2.gz CWWSPZJWMVENOL-RBUKOAKNSA-N 1 2 366.456 2.912 20 30 FFEDLO CCCCCCCC[N@H+]1C[C@]2(F)CN(Cc3ncccn3)C(=O)[C@]2(F)C1 ZINC001275113495 1011955919 /nfs/dbraw/zinc/95/59/19/1011955919.db2.gz CWWSPZJWMVENOL-RBUKOAKNSA-N 1 2 366.456 2.912 20 30 FFEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(O)c(F)c1F)CC2 ZINC001275350559 1012345627 /nfs/dbraw/zinc/34/56/27/1012345627.db2.gz BSKYDTZUHWACES-AWEZNQCLSA-N 1 2 350.409 2.965 20 30 FFEDLO C=CCOC1CCC([NH2+][C@@H](CCC(=O)OC(C)(C)C)C(=O)OC)CC1 ZINC001173313344 1012426515 /nfs/dbraw/zinc/42/65/15/1012426515.db2.gz VMHBKSXOGYTGRU-GPANFISMSA-N 1 2 355.475 2.753 20 30 FFEDLO COC(C)(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)C1=O ZINC001275621555 1012717261 /nfs/dbraw/zinc/71/72/61/1012717261.db2.gz DSRWREDDJYRVBI-FQEVSTJZSA-N 1 2 359.445 2.689 20 30 FFEDLO COC(C)(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C#N)c(F)c2)C1=O ZINC001275621555 1012717270 /nfs/dbraw/zinc/71/72/70/1012717270.db2.gz DSRWREDDJYRVBI-FQEVSTJZSA-N 1 2 359.445 2.689 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(F)c1F)C2 ZINC001275659018 1012781126 /nfs/dbraw/zinc/78/11/26/1012781126.db2.gz ZFIDWDJEZQBFMV-LJQANCHMSA-N 1 2 350.409 2.592 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC001275659018 1012781134 /nfs/dbraw/zinc/78/11/34/1012781134.db2.gz ZFIDWDJEZQBFMV-LJQANCHMSA-N 1 2 350.409 2.592 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3ccc(F)c(C(F)(F)F)c3)C2)OCC1=O ZINC001275715573 1012904400 /nfs/dbraw/zinc/90/44/00/1012904400.db2.gz VWOWCCACEPYPOL-KRWDZBQOSA-N 1 2 372.362 2.834 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3ccc(F)c(C(F)(F)F)c3)C2)OCC1=O ZINC001275715573 1012904413 /nfs/dbraw/zinc/90/44/13/1012904413.db2.gz VWOWCCACEPYPOL-KRWDZBQOSA-N 1 2 372.362 2.834 20 30 FFEDLO N#CCCCN1C[C@@]2(F)C[N@@H+](CCCCc3ccccc3)C[C@@]2(F)C1=O ZINC001275763384 1012977377 /nfs/dbraw/zinc/97/73/77/1012977377.db2.gz DRSLRKGATDHVNZ-VQTJNVASSA-N 1 2 361.436 2.887 20 30 FFEDLO N#CCCCN1C[C@@]2(F)C[N@H+](CCCCc3ccccc3)C[C@@]2(F)C1=O ZINC001275763384 1012977385 /nfs/dbraw/zinc/97/73/85/1012977385.db2.gz DRSLRKGATDHVNZ-VQTJNVASSA-N 1 2 361.436 2.887 20 30 FFEDLO Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)c1 ZINC001095265960 1013018284 /nfs/dbraw/zinc/01/82/84/1013018284.db2.gz XKPXEFLMJFNFGO-HOJAQTOUSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)c1 ZINC001095265960 1013018297 /nfs/dbraw/zinc/01/82/97/1013018297.db2.gz XKPXEFLMJFNFGO-HOJAQTOUSA-N 1 2 364.424 2.936 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1c(F)cncc1F ZINC001097147061 1017102540 /nfs/dbraw/zinc/10/25/40/1017102540.db2.gz JQFKIIMODAGYLU-LZQZEXGQSA-N 1 2 367.399 2.747 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1c(F)cncc1F ZINC001097147061 1017102548 /nfs/dbraw/zinc/10/25/48/1017102548.db2.gz JQFKIIMODAGYLU-LZQZEXGQSA-N 1 2 367.399 2.747 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cccc3[nH+]ccn32)CCN1c1cccc(F)c1C#N ZINC001050785095 1017146591 /nfs/dbraw/zinc/14/65/91/1017146591.db2.gz KSTSAHNRIXBRAW-CJNGLKHVSA-N 1 2 363.396 2.742 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000678886270 1017723297 /nfs/dbraw/zinc/72/32/97/1017723297.db2.gz NCCHDKBXSGZZNS-MRXNPFEDSA-N 1 2 358.486 2.941 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CCCCCC2)C1 ZINC001097809277 1017971821 /nfs/dbraw/zinc/97/18/21/1017971821.db2.gz JGXLZWMZEWYFBW-QRVBRYPASA-N 1 2 373.541 2.903 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CCCCCC2)C1 ZINC001097809277 1017971829 /nfs/dbraw/zinc/97/18/29/1017971829.db2.gz JGXLZWMZEWYFBW-QRVBRYPASA-N 1 2 373.541 2.903 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1Cc3ccncc3C1)C2 ZINC001097858389 1018037283 /nfs/dbraw/zinc/03/72/83/1018037283.db2.gz PXJHZVUXNZYDQG-PDGJWGCVSA-N 1 2 372.472 2.590 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1Cc3ccncc3C1)C2 ZINC001097858389 1018037295 /nfs/dbraw/zinc/03/72/95/1018037295.db2.gz PXJHZVUXNZYDQG-PDGJWGCVSA-N 1 2 372.472 2.590 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C)nn2)C1 ZINC001052741597 1018082227 /nfs/dbraw/zinc/08/22/27/1018082227.db2.gz UKFKQJOZLXIHMM-HZPDHXFCSA-N 1 2 368.485 2.527 20 30 FFEDLO CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cccc(C#N)c1O ZINC000926519750 1018145857 /nfs/dbraw/zinc/14/58/57/1018145857.db2.gz QGXPZBPTIIGRBF-GOSISDBHSA-N 1 2 373.478 2.755 20 30 FFEDLO Cc1cc(C)c(C(=O)NC[C@@H]2CN(c3ccncc3C#N)C[C@H]2C)c(C)[nH+]1 ZINC001053253875 1018226006 /nfs/dbraw/zinc/22/60/06/1018226006.db2.gz CXRWFMUSSBMFOJ-RDTXWAMCSA-N 1 2 363.465 2.776 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)C(C)C)C2 ZINC001110918234 1018264536 /nfs/dbraw/zinc/26/45/36/1018264536.db2.gz LYRXKCHQKPDXHC-VXIBKDFQSA-N 1 2 359.445 2.782 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)C(C)C)C2 ZINC001110918234 1018264549 /nfs/dbraw/zinc/26/45/49/1018264549.db2.gz LYRXKCHQKPDXHC-VXIBKDFQSA-N 1 2 359.445 2.782 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)C(C)C ZINC001110934471 1018709449 /nfs/dbraw/zinc/70/94/49/1018709449.db2.gz FDMDLMBHPAVYKQ-TVFCKZIOSA-N 1 2 370.559 2.524 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)C(C)C ZINC001110934471 1018709454 /nfs/dbraw/zinc/70/94/54/1018709454.db2.gz FDMDLMBHPAVYKQ-TVFCKZIOSA-N 1 2 370.559 2.524 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCCCC)C[C@H]32)CCCC1 ZINC001222142103 1032785515 /nfs/dbraw/zinc/78/55/15/1032785515.db2.gz GMCUBGNNZQIBTK-QZTJIDSGSA-N 1 2 361.530 2.572 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](CC(=O)NCCCC)C[C@H]32)CCCC1 ZINC001222142103 1032785531 /nfs/dbraw/zinc/78/55/31/1032785531.db2.gz GMCUBGNNZQIBTK-QZTJIDSGSA-N 1 2 361.530 2.572 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)c(OC)c(OC)c2)C1 ZINC001137512836 1019051313 /nfs/dbraw/zinc/05/13/13/1019051313.db2.gz XIZWFZQKZJSTSC-CQSZACIVSA-N 1 2 352.406 2.720 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)c(OC)c(OC)c2)C1 ZINC001137512836 1019051326 /nfs/dbraw/zinc/05/13/26/1019051326.db2.gz XIZWFZQKZJSTSC-CQSZACIVSA-N 1 2 352.406 2.720 20 30 FFEDLO CC(C)C[C@H](C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)n1cc[nH+]c1 ZINC000928722827 1019097965 /nfs/dbraw/zinc/09/79/65/1019097965.db2.gz XKIWNGSZWZUVSZ-ZWKOTPCHSA-N 1 2 366.469 2.840 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(-c4ccccc4)nc3)CC2)cn1 ZINC000801552519 1019103165 /nfs/dbraw/zinc/10/31/65/1019103165.db2.gz CYUMRBADVZBQQO-UHFFFAOYSA-N 1 2 356.433 2.732 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001042743460 1019132928 /nfs/dbraw/zinc/13/29/28/1019132928.db2.gz QGVGXBMOIOQXJX-QUCCMNQESA-N 1 2 353.466 2.792 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000801580214 1019137754 /nfs/dbraw/zinc/13/77/54/1019137754.db2.gz AXCPTULRNZUWEM-IFMALSPDSA-N 1 2 364.445 2.798 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000801580214 1019137767 /nfs/dbraw/zinc/13/77/67/1019137767.db2.gz AXCPTULRNZUWEM-IFMALSPDSA-N 1 2 364.445 2.798 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cn(C)nc1C(F)F ZINC001110964345 1019324329 /nfs/dbraw/zinc/32/43/29/1019324329.db2.gz GPXLRWXXIKZUAW-KFWWJZLASA-N 1 2 352.429 2.936 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cn(C)nc1C(F)F ZINC001110964345 1019324344 /nfs/dbraw/zinc/32/43/44/1019324344.db2.gz GPXLRWXXIKZUAW-KFWWJZLASA-N 1 2 352.429 2.936 20 30 FFEDLO CCn1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c1C ZINC001098087702 1019397302 /nfs/dbraw/zinc/39/73/02/1019397302.db2.gz QNPGZIMCLOKZCV-RLLQIKCJSA-N 1 2 363.465 2.618 20 30 FFEDLO CCn1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c1C ZINC001098087702 1019397319 /nfs/dbraw/zinc/39/73/19/1019397319.db2.gz QNPGZIMCLOKZCV-RLLQIKCJSA-N 1 2 363.465 2.618 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)[C@H](C#N)C(=O)NC1CCCCC1 ZINC000796634849 1019443395 /nfs/dbraw/zinc/44/33/95/1019443395.db2.gz VLZBCWOCXMBYJP-ZDUSSCGKSA-N 1 2 374.391 2.781 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)o1 ZINC001096231198 1019497554 /nfs/dbraw/zinc/49/75/54/1019497554.db2.gz NHDXHCLNSQHHAV-SQNIBIBYSA-N 1 2 368.408 2.814 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)o1 ZINC001096231198 1019497568 /nfs/dbraw/zinc/49/75/68/1019497568.db2.gz NHDXHCLNSQHHAV-SQNIBIBYSA-N 1 2 368.408 2.814 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1F)C2 ZINC001096238630 1019538169 /nfs/dbraw/zinc/53/81/69/1019538169.db2.gz BDAPBDIZNATWJZ-NJAFHUGGSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1F)C2 ZINC001096238630 1019538186 /nfs/dbraw/zinc/53/81/86/1019538186.db2.gz BDAPBDIZNATWJZ-NJAFHUGGSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1conc1C1CC1)C2 ZINC001095991350 1019709177 /nfs/dbraw/zinc/70/91/77/1019709177.db2.gz QGBKEFHNROQRQY-NEWSRXKRSA-N 1 2 362.433 2.959 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1conc1C1CC1)C2 ZINC001095991350 1019709194 /nfs/dbraw/zinc/70/91/94/1019709194.db2.gz QGBKEFHNROQRQY-NEWSRXKRSA-N 1 2 362.433 2.959 20 30 FFEDLO COc1c(F)ccc(C[N@@H+]2CCC[C@]23CCN(CCCC#N)C3=O)c1F ZINC001276383173 1019833370 /nfs/dbraw/zinc/83/33/70/1019833370.db2.gz NUPFGSMZQSVGMH-LJQANCHMSA-N 1 2 363.408 2.844 20 30 FFEDLO COc1c(F)ccc(C[N@H+]2CCC[C@]23CCN(CCCC#N)C3=O)c1F ZINC001276383173 1019833382 /nfs/dbraw/zinc/83/33/82/1019833382.db2.gz NUPFGSMZQSVGMH-LJQANCHMSA-N 1 2 363.408 2.844 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000930134299 1019885158 /nfs/dbraw/zinc/88/51/58/1019885158.db2.gz GJCGRHOZZKLJFS-NRFANRHFSA-N 1 2 359.429 2.942 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000930134299 1019885165 /nfs/dbraw/zinc/88/51/65/1019885165.db2.gz GJCGRHOZZKLJFS-NRFANRHFSA-N 1 2 359.429 2.942 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1CC)C2 ZINC001110983289 1019940011 /nfs/dbraw/zinc/94/00/11/1019940011.db2.gz MHORPBFEAFGJOD-KURKYZTESA-N 1 2 373.497 2.602 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1CC)C2 ZINC001110983289 1019940023 /nfs/dbraw/zinc/94/00/23/1019940023.db2.gz MHORPBFEAFGJOD-KURKYZTESA-N 1 2 373.497 2.602 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)CCC)CC1 ZINC001110989532 1020023549 /nfs/dbraw/zinc/02/35/49/1020023549.db2.gz OTFKWNLMWJYZDJ-TVFCKZIOSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)CCC)CC1 ZINC001110989532 1020023563 /nfs/dbraw/zinc/02/35/63/1020023563.db2.gz OTFKWNLMWJYZDJ-TVFCKZIOSA-N 1 2 361.530 2.759 20 30 FFEDLO Cc1ccc(CNC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1C#N ZINC000930449247 1020038723 /nfs/dbraw/zinc/03/87/23/1020038723.db2.gz OWGRTMUBNDKEBJ-UHFFFAOYSA-N 1 2 365.437 2.728 20 30 FFEDLO C[C@]1(C#N)CN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCO1 ZINC000930555366 1020080149 /nfs/dbraw/zinc/08/01/49/1020080149.db2.gz MQCLUUTUFGNIBP-FQEVSTJZSA-N 1 2 363.421 2.748 20 30 FFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(C#N)nc1 ZINC001048375888 1020179514 /nfs/dbraw/zinc/17/95/14/1020179514.db2.gz FGPVAWMCIRTZOO-VCBZYWHSSA-N 1 2 366.469 2.594 20 30 FFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(C#N)nc1 ZINC001048375888 1020179522 /nfs/dbraw/zinc/17/95/22/1020179522.db2.gz FGPVAWMCIRTZOO-VCBZYWHSSA-N 1 2 366.469 2.594 20 30 FFEDLO C/C(=C/C(=O)Nc1cccc(C#Cc2ccccn2)c1)C[NH+]1CCOCC1 ZINC000900086347 1020181848 /nfs/dbraw/zinc/18/18/48/1020181848.db2.gz MTXJSNJPQJRHSM-SDXDJHTJSA-N 1 2 361.445 2.698 20 30 FFEDLO CC(C)(C)C#CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@@H]21 ZINC001217843610 1032885948 /nfs/dbraw/zinc/88/59/48/1032885948.db2.gz CWKGDYUPPPCEFC-ZWKOTPCHSA-N 1 2 360.885 2.801 20 30 FFEDLO CC(C)(C)C#CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccccc3Cl)C[C@@H]21 ZINC001217843610 1032885965 /nfs/dbraw/zinc/88/59/65/1032885965.db2.gz CWKGDYUPPPCEFC-ZWKOTPCHSA-N 1 2 360.885 2.801 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc3ccccc3o2)nc1 ZINC001096372438 1020260611 /nfs/dbraw/zinc/26/06/11/1020260611.db2.gz QJRLQAYRCUUIFX-MNEFBYGVSA-N 1 2 372.428 2.739 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc3ccccc3o2)nc1 ZINC001096372438 1020260619 /nfs/dbraw/zinc/26/06/19/1020260619.db2.gz QJRLQAYRCUUIFX-MNEFBYGVSA-N 1 2 372.428 2.739 20 30 FFEDLO C[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)C[C@H]1OCCc2ccccc21 ZINC000725804716 1020264922 /nfs/dbraw/zinc/26/49/22/1020264922.db2.gz BHPAIYZXJGHZQZ-HXUWFJFHSA-N 1 2 374.444 2.666 20 30 FFEDLO C[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)C[C@H]1OCCc2ccccc21 ZINC000725804716 1020264925 /nfs/dbraw/zinc/26/49/25/1020264925.db2.gz BHPAIYZXJGHZQZ-HXUWFJFHSA-N 1 2 374.444 2.666 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC001073047559 1020348504 /nfs/dbraw/zinc/34/85/04/1020348504.db2.gz PENFMRPRVQRMIX-RBUKOAKNSA-N 1 2 353.441 2.778 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC001073047559 1020348514 /nfs/dbraw/zinc/34/85/14/1020348514.db2.gz PENFMRPRVQRMIX-RBUKOAKNSA-N 1 2 353.441 2.778 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1-n1cccn1)C2 ZINC001096067187 1020421742 /nfs/dbraw/zinc/42/17/42/1020421742.db2.gz GJZLDGGZFPZLCV-HFTRVMKXSA-N 1 2 356.857 2.960 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1-n1cccn1)C2 ZINC001096067187 1020421749 /nfs/dbraw/zinc/42/17/49/1020421749.db2.gz GJZLDGGZFPZLCV-HFTRVMKXSA-N 1 2 356.857 2.960 20 30 FFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCc3nc[nH]c3[C@H]2c2ccc(F)cc2)CCC1 ZINC000931388751 1020448789 /nfs/dbraw/zinc/44/87/89/1020448789.db2.gz VEYKJZPXCQRGCL-QFBILLFUSA-N 1 2 354.429 2.941 20 30 FFEDLO N#CC1(C[C@H](O)C[N@H+]2CCc3nc[nH]c3[C@H]2c2ccc(F)cc2)CCC1 ZINC000931388751 1020448798 /nfs/dbraw/zinc/44/87/98/1020448798.db2.gz VEYKJZPXCQRGCL-QFBILLFUSA-N 1 2 354.429 2.941 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001096434793 1020573565 /nfs/dbraw/zinc/57/35/65/1020573565.db2.gz JIVNRGTVKXKGFS-QYZOEREBSA-N 1 2 365.502 2.897 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001096434793 1020573571 /nfs/dbraw/zinc/57/35/71/1020573571.db2.gz JIVNRGTVKXKGFS-QYZOEREBSA-N 1 2 365.502 2.897 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098319204 1020820026 /nfs/dbraw/zinc/82/00/26/1020820026.db2.gz BBZBRUWKKQEYQX-OWQGQXMQSA-N 1 2 358.486 2.562 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cn2ccccc2n1 ZINC001098326814 1020829042 /nfs/dbraw/zinc/82/90/42/1020829042.db2.gz OOECRJCNAQYOBY-SBHAEUEKSA-N 1 2 370.456 2.721 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cn2ccccc2n1 ZINC001098326814 1020829051 /nfs/dbraw/zinc/82/90/51/1020829051.db2.gz OOECRJCNAQYOBY-SBHAEUEKSA-N 1 2 370.456 2.721 20 30 FFEDLO C=CC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000778165046 1020999411 /nfs/dbraw/zinc/99/94/11/1020999411.db2.gz IYKBYAWRRPLWEW-UHFFFAOYSA-N 1 2 367.405 2.724 20 30 FFEDLO C=CC[N@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000778165046 1020999420 /nfs/dbraw/zinc/99/94/20/1020999420.db2.gz IYKBYAWRRPLWEW-UHFFFAOYSA-N 1 2 367.405 2.724 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)N2CCSc3ccccc32)cc1 ZINC000749790850 1021035425 /nfs/dbraw/zinc/03/54/25/1021035425.db2.gz ZMLKFYXNDDFPTG-CYBMUJFWSA-N 1 2 371.462 2.860 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@H+](C[C@@H](O)COCc3ccccc3F)CCO2)cc1 ZINC000933624478 1021051079 /nfs/dbraw/zinc/05/10/79/1021051079.db2.gz ISNHCEIPQMNPPP-TZIWHRDSSA-N 1 2 370.424 2.648 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@@H+](C[C@@H](O)COCc3ccccc3F)CCO2)cc1 ZINC000933624478 1021051088 /nfs/dbraw/zinc/05/10/88/1021051088.db2.gz ISNHCEIPQMNPPP-TZIWHRDSSA-N 1 2 370.424 2.648 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@H+](C[C@H]3CN(c4ccccc4)CCO3)CCO2)cc1 ZINC000933631091 1021055659 /nfs/dbraw/zinc/05/56/59/1021055659.db2.gz ZWXUZXHMDOKRQR-FCHUYYIVSA-N 1 2 363.461 2.837 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@@H+](C[C@H]3CN(c4ccccc4)CCO3)CCO2)cc1 ZINC000933631091 1021055663 /nfs/dbraw/zinc/05/56/63/1021055663.db2.gz ZWXUZXHMDOKRQR-FCHUYYIVSA-N 1 2 363.461 2.837 20 30 FFEDLO C=CCn1cc2ccc(NC(=O)N3CCC[C@H]3C[NH+]3CCOCC3)cc2n1 ZINC000933674494 1021065712 /nfs/dbraw/zinc/06/57/12/1021065712.db2.gz YYPQOMLYDIZIJH-SFHVURJKSA-N 1 2 369.469 2.551 20 30 FFEDLO CC(C)c1cnc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001098797349 1021155177 /nfs/dbraw/zinc/15/51/77/1021155177.db2.gz IOWZRFJUNQEEAN-XOBRGWDASA-N 1 2 367.453 2.782 20 30 FFEDLO CC(C)c1cnc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001098797349 1021155181 /nfs/dbraw/zinc/15/51/81/1021155181.db2.gz IOWZRFJUNQEEAN-XOBRGWDASA-N 1 2 367.453 2.782 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC001116542840 1021275413 /nfs/dbraw/zinc/27/54/13/1021275413.db2.gz WWWPOKRNWAJCFG-GFCCVEGCSA-N 1 2 357.223 2.804 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC001116542840 1021275423 /nfs/dbraw/zinc/27/54/23/1021275423.db2.gz WWWPOKRNWAJCFG-GFCCVEGCSA-N 1 2 357.223 2.804 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nccs1)C2 ZINC001098875668 1021291234 /nfs/dbraw/zinc/29/12/34/1021291234.db2.gz SQKVIAOHUPHWBJ-KXBFYZLASA-N 1 2 356.495 2.915 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nccs1)C2 ZINC001098875668 1021291242 /nfs/dbraw/zinc/29/12/42/1021291242.db2.gz SQKVIAOHUPHWBJ-KXBFYZLASA-N 1 2 356.495 2.915 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2sc(N(C)C)nc2C)C1 ZINC001099065736 1021699111 /nfs/dbraw/zinc/69/91/11/1021699111.db2.gz BINCCVUQJOFPGO-GUYCJALGSA-N 1 2 368.934 2.854 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2sc(N(C)C)nc2C)C1 ZINC001099065736 1021699115 /nfs/dbraw/zinc/69/91/15/1021699115.db2.gz BINCCVUQJOFPGO-GUYCJALGSA-N 1 2 368.934 2.854 20 30 FFEDLO CC(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001014502602 1021878215 /nfs/dbraw/zinc/87/82/15/1021878215.db2.gz NZYGZWRHXQFVCL-AABGKKOBSA-N 1 2 355.482 2.700 20 30 FFEDLO CC(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001014502602 1021878229 /nfs/dbraw/zinc/87/82/29/1021878229.db2.gz NZYGZWRHXQFVCL-AABGKKOBSA-N 1 2 355.482 2.700 20 30 FFEDLO C[C@H]1C[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001099292248 1022237496 /nfs/dbraw/zinc/23/74/96/1022237496.db2.gz KUXQGHZDXFYKLD-DANNLKNASA-N 1 2 351.372 2.693 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3cc(C)no3)C2)C1 ZINC001099303620 1022259947 /nfs/dbraw/zinc/25/99/47/1022259947.db2.gz RNCJWUZYPLNNLW-ZIAGYGMSSA-N 1 2 357.376 2.818 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038796537 1022709067 /nfs/dbraw/zinc/70/90/67/1022709067.db2.gz MMXIUOLIRHZXFD-HBFSDRIKSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038796537 1022709080 /nfs/dbraw/zinc/70/90/80/1022709080.db2.gz MMXIUOLIRHZXFD-HBFSDRIKSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](C(C)C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001122394331 1023239511 /nfs/dbraw/zinc/23/95/11/1023239511.db2.gz AESDSBUINASFKN-QKLQHJQFSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](C(C)C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001122394331 1023239519 /nfs/dbraw/zinc/23/95/19/1023239519.db2.gz AESDSBUINASFKN-QKLQHJQFSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@H]1CCC ZINC001122479167 1023294885 /nfs/dbraw/zinc/29/48/85/1023294885.db2.gz QCFSWGOSLLEZFX-GOSISDBHSA-N 1 2 361.534 2.827 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(F)CC1 ZINC001122530246 1023322150 /nfs/dbraw/zinc/32/21/50/1023322150.db2.gz ZIUQXINQCYIPHN-UHFFFAOYSA-N 1 2 360.481 2.886 20 30 FFEDLO C=C(C)Cn1c([C@@H](O)CC)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001122536824 1023326258 /nfs/dbraw/zinc/32/62/58/1023326258.db2.gz BXXZDYCIFIVZAH-SFHVURJKSA-N 1 2 373.476 2.759 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001122625795 1023376730 /nfs/dbraw/zinc/37/67/30/1023376730.db2.gz LQUTZXCZHBSOTG-MSOLQXFVSA-N 1 2 359.518 2.988 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(CC)no3)[C@H]2C1 ZINC001222757299 1033143692 /nfs/dbraw/zinc/14/36/92/1033143692.db2.gz LVTKKYRLPWRNQK-WBVHZDCISA-N 1 2 358.486 2.823 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(CC)no3)[C@H]2C1 ZINC001222757299 1033143696 /nfs/dbraw/zinc/14/36/96/1033143696.db2.gz LVTKKYRLPWRNQK-WBVHZDCISA-N 1 2 358.486 2.823 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001490853156 1023595699 /nfs/dbraw/zinc/59/56/99/1023595699.db2.gz SFPQILZEOGDJSD-MLHJIOFPSA-N 1 2 372.513 2.777 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2C[C@@H]2CCOC2)C1 ZINC001123050903 1023612192 /nfs/dbraw/zinc/61/21/92/1023612192.db2.gz RGBCCVUMSHXMON-QYZOEREBSA-N 1 2 371.529 2.711 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2C[C@@H]2CCOC2)C1 ZINC001123050903 1023612197 /nfs/dbraw/zinc/61/21/97/1023612197.db2.gz RGBCCVUMSHXMON-QYZOEREBSA-N 1 2 371.529 2.711 20 30 FFEDLO CCc1cc(C#N)ccc1C[NH+]1CC2(C1)COCC(=O)N2CC=C(C)C ZINC001276837008 1033153695 /nfs/dbraw/zinc/15/36/95/1033153695.db2.gz RGAUOOUGEQPDOY-UHFFFAOYSA-N 1 2 353.466 2.500 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc([C@H](C)OC)no3)[C@H]2C1 ZINC001222781780 1033159200 /nfs/dbraw/zinc/15/92/00/1033159200.db2.gz RWQQRLXWPHINHV-XHSDSOJGSA-N 1 2 362.474 2.556 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc([C@H](C)OC)no3)[C@H]2C1 ZINC001222781780 1033159203 /nfs/dbraw/zinc/15/92/03/1033159203.db2.gz RWQQRLXWPHINHV-XHSDSOJGSA-N 1 2 362.474 2.556 20 30 FFEDLO COC(=O)c1ccc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)c(OC)c1 ZINC000756902395 1023767414 /nfs/dbraw/zinc/76/74/14/1023767414.db2.gz OEJOMGHCPBPZRJ-UHFFFAOYSA-N 1 2 369.421 2.764 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc4n3CCCCC4)[C@H]2C1 ZINC001222789184 1033161213 /nfs/dbraw/zinc/16/12/13/1033161213.db2.gz GEXIMYJNTUCOMA-MSOLQXFVSA-N 1 2 371.529 2.784 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc4n3CCCCC4)[C@H]2C1 ZINC001222789184 1033161220 /nfs/dbraw/zinc/16/12/20/1033161220.db2.gz GEXIMYJNTUCOMA-MSOLQXFVSA-N 1 2 371.529 2.784 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](Cc2cccc(N(C)C)c2)C1 ZINC000950343285 1023797533 /nfs/dbraw/zinc/79/75/33/1023797533.db2.gz PIRJVADAFWHXIV-RTWAWAEBSA-N 1 2 371.525 2.767 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)[C@H]1Cc2ccccc21 ZINC001123464268 1023814963 /nfs/dbraw/zinc/81/49/63/1023814963.db2.gz YWULPJDSBWIGBG-FQEVSTJZSA-N 1 2 367.470 2.815 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001121584127 1023864140 /nfs/dbraw/zinc/86/41/40/1023864140.db2.gz HQEWKNCOSYACAK-FQEVSTJZSA-N 1 2 367.501 2.687 20 30 FFEDLO N#C[C@@H]1C[C@@H]1c1nnc(N2CCC(Nc3cccc[nH+]3)CC2)n1CC1CC1 ZINC001123589818 1023886346 /nfs/dbraw/zinc/88/63/46/1023886346.db2.gz PQMTZUUVVRJNKD-RDJZCZTQSA-N 1 2 363.469 2.791 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(CC)C1CCCCC1 ZINC001121635947 1023894840 /nfs/dbraw/zinc/89/48/40/1023894840.db2.gz PBYCQOYWNPQSIU-UHFFFAOYSA-N 1 2 361.534 2.827 20 30 FFEDLO CC(C)n1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c1 ZINC001095816047 1023994926 /nfs/dbraw/zinc/99/49/26/1023994926.db2.gz RWALZFJMBKYRCH-HBFSDRIKSA-N 1 2 363.465 2.871 20 30 FFEDLO CC(C)n1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c1 ZINC001095816047 1023994939 /nfs/dbraw/zinc/99/49/39/1023994939.db2.gz RWALZFJMBKYRCH-HBFSDRIKSA-N 1 2 363.465 2.871 20 30 FFEDLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1C[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@]2(C)C1 ZINC001101227812 1024133906 /nfs/dbraw/zinc/13/39/06/1024133906.db2.gz FTCALTBXNPFMIP-NVAPDCRFSA-N 1 2 370.497 2.838 20 30 FFEDLO C[C@H](c1nc(C2CC2)no1)[N@H+]1C[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@]2(C)C1 ZINC001101227812 1024133912 /nfs/dbraw/zinc/13/39/12/1024133912.db2.gz FTCALTBXNPFMIP-NVAPDCRFSA-N 1 2 370.497 2.838 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CC4)nn3C)C[C@@]2(C)C1 ZINC001101252104 1024199203 /nfs/dbraw/zinc/19/92/03/1024199203.db2.gz BEYYWQFUENQTFJ-IERDGZPVSA-N 1 2 371.529 2.575 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CC4)nn3C)C[C@@]2(C)C1 ZINC001101252104 1024199212 /nfs/dbraw/zinc/19/92/12/1024199212.db2.gz BEYYWQFUENQTFJ-IERDGZPVSA-N 1 2 371.529 2.575 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@H]2C[N@H+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001101442667 1024756373 /nfs/dbraw/zinc/75/63/73/1024756373.db2.gz YFAPLMOCAGUKCZ-XLIONFOSSA-N 1 2 361.534 2.846 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001101442667 1024756381 /nfs/dbraw/zinc/75/63/81/1024756381.db2.gz YFAPLMOCAGUKCZ-XLIONFOSSA-N 1 2 361.534 2.846 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nc(C)no4)C[C@@]3(C)C2)CCCCC1 ZINC001101483112 1024859884 /nfs/dbraw/zinc/85/98/84/1024859884.db2.gz VDDIEQYZIPSWIA-XLIONFOSSA-N 1 2 370.497 2.632 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nc(C)no4)C[C@@]3(C)C2)CCCCC1 ZINC001101483112 1024859893 /nfs/dbraw/zinc/85/98/93/1024859893.db2.gz VDDIEQYZIPSWIA-XLIONFOSSA-N 1 2 370.497 2.632 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2noc(-c3ccoc3)n2)C[C@H]1CNC(=O)C#CC(C)(C)C ZINC001101955796 1025212039 /nfs/dbraw/zinc/21/20/39/1025212039.db2.gz HJPRDGMTJAHFBW-GDBMZVCRSA-N 1 2 370.453 2.563 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2noc(-c3ccoc3)n2)C[C@H]1CNC(=O)C#CC(C)(C)C ZINC001101955796 1025212043 /nfs/dbraw/zinc/21/20/43/1025212043.db2.gz HJPRDGMTJAHFBW-GDBMZVCRSA-N 1 2 370.453 2.563 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ncc(Cl)n2C)C[C@H]1C ZINC001102004915 1025285087 /nfs/dbraw/zinc/28/50/87/1025285087.db2.gz KNZIPBCZIHUCNN-ZIAGYGMSSA-N 1 2 352.910 2.860 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ncc(Cl)n2C)C[C@H]1C ZINC001102004915 1025285095 /nfs/dbraw/zinc/28/50/95/1025285095.db2.gz KNZIPBCZIHUCNN-ZIAGYGMSSA-N 1 2 352.910 2.860 20 30 FFEDLO C#CC[N@@H+](CC(=O)NCc1cnn(-c2ccccc2)c1)Cc1ccccc1 ZINC000796638640 1025370622 /nfs/dbraw/zinc/37/06/22/1025370622.db2.gz CSKZZPVJOFOUQR-UHFFFAOYSA-N 1 2 358.445 2.624 20 30 FFEDLO C#CC[N@H+](CC(=O)NCc1cnn(-c2ccccc2)c1)Cc1ccccc1 ZINC000796638640 1025370636 /nfs/dbraw/zinc/37/06/36/1025370636.db2.gz CSKZZPVJOFOUQR-UHFFFAOYSA-N 1 2 358.445 2.624 20 30 FFEDLO C[C@@H]1CC[N@H+](Cc2sc(N)c(C#N)c2Cl)C[C@@]1(O)C(F)(F)F ZINC001141106600 1025464586 /nfs/dbraw/zinc/46/45/86/1025464586.db2.gz CRPMBTLGHAIZEQ-KRTXAFLBSA-N 1 2 353.797 2.991 20 30 FFEDLO C[C@@H]1CC[N@@H+](Cc2sc(N)c(C#N)c2Cl)C[C@@]1(O)C(F)(F)F ZINC001141106600 1025464595 /nfs/dbraw/zinc/46/45/95/1025464595.db2.gz CRPMBTLGHAIZEQ-KRTXAFLBSA-N 1 2 353.797 2.991 20 30 FFEDLO CC#CCCCC(=O)NC[C@@H]1C[N@H+](Cc2nccn2C(F)F)C[C@H]1C ZINC001102252920 1025642806 /nfs/dbraw/zinc/64/28/06/1025642806.db2.gz UJUPCWAXODSPHU-HUUCEWRRSA-N 1 2 352.429 2.656 20 30 FFEDLO CC#CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2nccn2C(F)F)C[C@H]1C ZINC001102252920 1025642813 /nfs/dbraw/zinc/64/28/13/1025642813.db2.gz UJUPCWAXODSPHU-HUUCEWRRSA-N 1 2 352.429 2.656 20 30 FFEDLO Cc1nc([C@H](C)[N@H+]2C[C@@H](CNC(=O)CC#Cc3ccccc3)[C@H](C)C2)no1 ZINC001102592915 1026376455 /nfs/dbraw/zinc/37/64/55/1026376455.db2.gz XJCCIXSTGVRVET-JTDSTZFVSA-N 1 2 366.465 2.565 20 30 FFEDLO Cc1nc([C@H](C)[N@@H+]2C[C@@H](CNC(=O)CC#Cc3ccccc3)[C@H](C)C2)no1 ZINC001102592915 1026376467 /nfs/dbraw/zinc/37/64/67/1026376467.db2.gz XJCCIXSTGVRVET-JTDSTZFVSA-N 1 2 366.465 2.565 20 30 FFEDLO C=CCCc1ccccc1NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000640119937 1026589927 /nfs/dbraw/zinc/58/99/27/1026589927.db2.gz QLYZJNBKDUSNKW-UHFFFAOYSA-N 1 2 365.481 2.987 20 30 FFEDLO C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)C1=O ZINC000640176476 1026630227 /nfs/dbraw/zinc/63/02/27/1026630227.db2.gz MMVBDDKUHSBPFD-QGZVFWFLSA-N 1 2 367.453 2.551 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+](CN3C(=O)[C@@]4(CCCO4)[C@H]3C3CC3)CC2)cc1 ZINC000840037887 1026924387 /nfs/dbraw/zinc/92/43/87/1026924387.db2.gz MEADEIUUKNDUPC-IFMALSPDSA-N 1 2 363.461 2.775 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C(=O)[C@@]4(CCCO4)[C@H]3C3CC3)CC2)cc1 ZINC000840037887 1026924393 /nfs/dbraw/zinc/92/43/93/1026924393.db2.gz MEADEIUUKNDUPC-IFMALSPDSA-N 1 2 363.461 2.775 20 30 FFEDLO CN(C)C(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC001141813425 1027008098 /nfs/dbraw/zinc/00/80/98/1027008098.db2.gz NFSNRXHXVIWHLS-ZDUSSCGKSA-N 1 2 350.260 2.621 20 30 FFEDLO CN(C)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC001141813425 1027008105 /nfs/dbraw/zinc/00/81/05/1027008105.db2.gz NFSNRXHXVIWHLS-ZDUSSCGKSA-N 1 2 350.260 2.621 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)nn1 ZINC000641065408 1027093093 /nfs/dbraw/zinc/09/30/93/1027093093.db2.gz FHEZDFCKFPEMQD-ZDUSSCGKSA-N 1 2 370.844 2.628 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2[nH]nc3c2C[C@H](C)CC3)C1 ZINC001103596357 1027752026 /nfs/dbraw/zinc/75/20/26/1027752026.db2.gz QWCNHGAVJDMPQV-UMVBOHGHSA-N 1 2 364.921 2.975 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2[nH]nc3c2C[C@H](C)CC3)C1 ZINC001103596357 1027752029 /nfs/dbraw/zinc/75/20/29/1027752029.db2.gz QWCNHGAVJDMPQV-UMVBOHGHSA-N 1 2 364.921 2.975 20 30 FFEDLO COC(=O)[C@@H]([NH3+])CC(=O)N(Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001160952617 1027944113 /nfs/dbraw/zinc/94/41/13/1027944113.db2.gz WQJWJTWNVXJKQH-BEFAXECRSA-N 1 2 365.433 2.538 20 30 FFEDLO N#Cc1cncc(CNc2ncnc3c2C[N@H+](Cc2ccccc2)CC3)c1 ZINC001160989998 1027961323 /nfs/dbraw/zinc/96/13/23/1027961323.db2.gz ZNHNAEQUYJTXEE-UHFFFAOYSA-N 1 2 356.433 2.914 20 30 FFEDLO N#Cc1cncc(CNc2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)c1 ZINC001160989998 1027961333 /nfs/dbraw/zinc/96/13/33/1027961333.db2.gz ZNHNAEQUYJTXEE-UHFFFAOYSA-N 1 2 356.433 2.914 20 30 FFEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001161277893 1028110965 /nfs/dbraw/zinc/11/09/65/1028110965.db2.gz DETGRLHPSQXXMZ-OAGGEKHMSA-N 1 2 369.303 2.601 20 30 FFEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001161277893 1028110970 /nfs/dbraw/zinc/11/09/70/1028110970.db2.gz DETGRLHPSQXXMZ-OAGGEKHMSA-N 1 2 369.303 2.601 20 30 FFEDLO C=CCO[C@@H](C)C(=O)NCC[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001103770995 1028177419 /nfs/dbraw/zinc/17/74/19/1028177419.db2.gz XTUTZKPLWTWWMJ-HZSPNIEDSA-N 1 2 371.934 2.962 20 30 FFEDLO C=CCO[C@@H](C)C(=O)NCC[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001103770995 1028177431 /nfs/dbraw/zinc/17/74/31/1028177431.db2.gz XTUTZKPLWTWWMJ-HZSPNIEDSA-N 1 2 371.934 2.962 20 30 FFEDLO COc1cc[nH+]c(C(C)(C)CNc2nc(SC)nc(Cl)c2C#N)c1 ZINC001162128140 1028445190 /nfs/dbraw/zinc/44/51/90/1028445190.db2.gz IAGNMFYGUFHBAZ-UHFFFAOYSA-N 1 2 363.874 2.939 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C(C)(C)C)o1 ZINC001155343472 1028684356 /nfs/dbraw/zinc/68/43/56/1028684356.db2.gz MATJTXRNEOMZMZ-OAGGEKHMSA-N 1 2 363.502 2.890 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C(C)(C)C)o1 ZINC001155343472 1028684365 /nfs/dbraw/zinc/68/43/65/1028684365.db2.gz MATJTXRNEOMZMZ-OAGGEKHMSA-N 1 2 363.502 2.890 20 30 FFEDLO COc1nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c(F)cc1C#N ZINC001163850163 1029089659 /nfs/dbraw/zinc/08/96/59/1029089659.db2.gz JRUAVXLDWOVAMA-VMPITWQZSA-N 1 2 352.413 2.936 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ncc(C#N)cc3Cl)CC2)cc1 ZINC001165086127 1029376175 /nfs/dbraw/zinc/37/61/75/1029376175.db2.gz VKQCUSSUYRPKCR-UHFFFAOYSA-N 1 2 370.840 2.715 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CCCN(C(=O)c3ccc4[nH+]c(N)[nH]c4c3)C2)cc1 ZINC001156972250 1029426540 /nfs/dbraw/zinc/42/65/40/1029426540.db2.gz WFZRSXBKTKMLFD-MRXNPFEDSA-N 1 2 361.405 2.700 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1CCC)C2 ZINC001111848821 1029612420 /nfs/dbraw/zinc/61/24/20/1029612420.db2.gz VBLTVAONEFDGKO-UWVAXJGDSA-N 1 2 359.518 2.761 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1CCC)C2 ZINC001111848821 1029612425 /nfs/dbraw/zinc/61/24/25/1029612425.db2.gz VBLTVAONEFDGKO-UWVAXJGDSA-N 1 2 359.518 2.761 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(C3CC3)nn1C)C2 ZINC001111851464 1029617565 /nfs/dbraw/zinc/61/75/65/1029617565.db2.gz BAGPYZSBJABXGS-WJPUGNRLSA-N 1 2 371.529 2.766 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(C3CC3)nn1C)C2 ZINC001111851464 1029617570 /nfs/dbraw/zinc/61/75/70/1029617570.db2.gz BAGPYZSBJABXGS-WJPUGNRLSA-N 1 2 371.529 2.766 20 30 FFEDLO C=C(Cl)CN1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001111903520 1029705708 /nfs/dbraw/zinc/70/57/08/1029705708.db2.gz AIVQVESMPBIGSZ-WMZOPIPTSA-N 1 2 350.894 2.695 20 30 FFEDLO COc1cc(N2CCN(c3nc(-c4ccncc4)ccc3C#N)CC2)cc[nH+]1 ZINC001158098743 1029733026 /nfs/dbraw/zinc/73/30/26/1029733026.db2.gz SQPRODUQEZQCDK-UHFFFAOYSA-N 1 2 372.432 2.745 20 30 FFEDLO Cc1cc(CON=C(N)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1C#N ZINC000783043132 1029882528 /nfs/dbraw/zinc/88/25/28/1029882528.db2.gz UNGIYGHLMFZRFA-FQEVSTJZSA-N 1 2 364.449 2.766 20 30 FFEDLO Cc1cc(CON=C(N)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1C#N ZINC000783043132 1029882534 /nfs/dbraw/zinc/88/25/34/1029882534.db2.gz UNGIYGHLMFZRFA-FQEVSTJZSA-N 1 2 364.449 2.766 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccn(C(C)C)n2)C1 ZINC001112094280 1029990911 /nfs/dbraw/zinc/99/09/11/1029990911.db2.gz YMSAOMNPGKJDFB-HZPDHXFCSA-N 1 2 370.419 2.746 20 30 FFEDLO N#Cc1c[nH]c2cc[nH+]c(N3Cc4cncn4C[C@@H](COCC4CC4)C3)c12 ZINC001165692174 1030087955 /nfs/dbraw/zinc/08/79/55/1030087955.db2.gz WIVUMUHRVXKJOD-HNNXBMFYSA-N 1 2 362.437 2.694 20 30 FFEDLO Cc1ccnc(N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)c1C#N ZINC001165738810 1030103115 /nfs/dbraw/zinc/10/31/15/1030103115.db2.gz MSCTYTRWWRHPSG-INIZCTEOSA-N 1 2 360.421 2.569 20 30 FFEDLO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3cc(CC#N)cc[nH+]3)C[C@@H]12 ZINC001166220303 1030311292 /nfs/dbraw/zinc/31/12/92/1030311292.db2.gz XQLFWKMDLQJLCZ-IFMALSPDSA-N 1 2 360.461 2.917 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cc(OC)cc(OC)c1 ZINC001203855148 1030932337 /nfs/dbraw/zinc/93/23/37/1030932337.db2.gz KVGNOHQMPGPAJN-LJQANCHMSA-N 1 2 357.454 2.739 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc(OC)cc(OC)c1 ZINC001203855148 1030932351 /nfs/dbraw/zinc/93/23/51/1030932351.db2.gz KVGNOHQMPGPAJN-LJQANCHMSA-N 1 2 357.454 2.739 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2c[nH]c3cc(C#N)ccc23)CCO1 ZINC001142915924 1031046791 /nfs/dbraw/zinc/04/67/91/1031046791.db2.gz JFGMJFWFFGSIFC-MRXNPFEDSA-N 1 2 370.453 2.765 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)CCO1 ZINC001142915924 1031046807 /nfs/dbraw/zinc/04/68/07/1031046807.db2.gz JFGMJFWFFGSIFC-MRXNPFEDSA-N 1 2 370.453 2.765 20 30 FFEDLO N#Cc1cnc(Nc2ccn3cc[nH+]c3c2)c(I)c1 ZINC001204959844 1031477289 /nfs/dbraw/zinc/47/72/89/1031477289.db2.gz XCHBPCODCQCORA-UHFFFAOYSA-N 1 2 361.146 2.949 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]Cc2nccc(C)n2)C1 ZINC001205563065 1031834169 /nfs/dbraw/zinc/83/41/69/1031834169.db2.gz GXHXPFMZSWLIQX-PKOBYXMFSA-N 1 2 368.456 2.975 20 30 FFEDLO CC(C)(C)CCC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218803523 1033348111 /nfs/dbraw/zinc/34/81/11/1033348111.db2.gz LWRSLNFHADLSBT-VQTJNVASSA-N 1 2 354.494 2.776 20 30 FFEDLO CC(C)(C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218803523 1033348123 /nfs/dbraw/zinc/34/81/23/1033348123.db2.gz LWRSLNFHADLSBT-VQTJNVASSA-N 1 2 354.494 2.776 20 30 FFEDLO CC1(CCC(=O)N2CCO[C@@H]3C[N@H+](CC#Cc4ccccc4)C[C@@H]32)CC1 ZINC001218899236 1033399222 /nfs/dbraw/zinc/39/92/22/1033399222.db2.gz BZADEKLESBWJQG-VQTJNVASSA-N 1 2 352.478 2.530 20 30 FFEDLO CC1(CCC(=O)N2CCO[C@@H]3C[N@@H+](CC#Cc4ccccc4)C[C@@H]32)CC1 ZINC001218899236 1033399235 /nfs/dbraw/zinc/39/92/35/1033399235.db2.gz BZADEKLESBWJQG-VQTJNVASSA-N 1 2 352.478 2.530 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000830229744 1033524260 /nfs/dbraw/zinc/52/42/60/1033524260.db2.gz FSNAPCQAOZFWKW-APWZRJJASA-N 1 2 362.433 2.725 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000830229744 1033524267 /nfs/dbraw/zinc/52/42/67/1033524267.db2.gz FSNAPCQAOZFWKW-APWZRJJASA-N 1 2 362.433 2.725 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc(O)c2ccccc12 ZINC001138056097 1033648439 /nfs/dbraw/zinc/64/84/39/1033648439.db2.gz LICGRHHLYXRKRX-LJQANCHMSA-N 1 2 364.449 2.976 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc(O)c2ccccc12 ZINC001138056097 1033648445 /nfs/dbraw/zinc/64/84/45/1033648445.db2.gz LICGRHHLYXRKRX-LJQANCHMSA-N 1 2 364.449 2.976 20 30 FFEDLO N#CCC[NH+]1CCC2(C[C@H]2C(=O)NCCCOCc2ccccc2)CC1 ZINC001276949517 1033732356 /nfs/dbraw/zinc/73/23/56/1033732356.db2.gz SLUPXRJWKIQVHM-IBGZPJMESA-N 1 2 355.482 2.725 20 30 FFEDLO CC(C)(C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001219684463 1033745231 /nfs/dbraw/zinc/74/52/31/1033745231.db2.gz OHSOUBINGZDRAI-SJORKVTESA-N 1 2 363.527 2.888 20 30 FFEDLO CC(C)(C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001219684463 1033745244 /nfs/dbraw/zinc/74/52/44/1033745244.db2.gz OHSOUBINGZDRAI-SJORKVTESA-N 1 2 363.527 2.888 20 30 FFEDLO CC[C@@H](C)CCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219695359 1033758785 /nfs/dbraw/zinc/75/87/85/1033758785.db2.gz OEEFSFHGFPSUBC-NRSPTQNISA-N 1 2 356.510 2.806 20 30 FFEDLO CC[C@@H](C)CCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219695359 1033758797 /nfs/dbraw/zinc/75/87/97/1033758797.db2.gz OEEFSFHGFPSUBC-NRSPTQNISA-N 1 2 356.510 2.806 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)C[C@@H]1O ZINC001219706664 1033774556 /nfs/dbraw/zinc/77/45/56/1033774556.db2.gz JNDVCDQZHFUJGT-SJORKVTESA-N 1 2 350.890 2.912 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)C[C@@H]1O ZINC001219706664 1033774570 /nfs/dbraw/zinc/77/45/70/1033774570.db2.gz JNDVCDQZHFUJGT-SJORKVTESA-N 1 2 350.890 2.912 20 30 FFEDLO C=CCN1CC[C@@]2(CC[N@@H+](Cc3nc(C)sc3Br)C2)C1=O ZINC001276991672 1033982261 /nfs/dbraw/zinc/98/22/61/1033982261.db2.gz CVWWDXVAZSGYBC-OAHLLOKOSA-N 1 2 370.316 2.824 20 30 FFEDLO C=CCN1CC[C@@]2(CC[N@H+](Cc3nc(C)sc3Br)C2)C1=O ZINC001276991672 1033982273 /nfs/dbraw/zinc/98/22/73/1033982273.db2.gz CVWWDXVAZSGYBC-OAHLLOKOSA-N 1 2 370.316 2.824 20 30 FFEDLO C=CCN(C(=O)CCc1[nH+]ccn1C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001138239328 1034002339 /nfs/dbraw/zinc/00/23/39/1034002339.db2.gz XZQUAVRCAXYJOG-SFHVURJKSA-N 1 2 369.465 2.542 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(Cl)c2)C[C@@H]1O ZINC001220201289 1034043079 /nfs/dbraw/zinc/04/30/79/1034043079.db2.gz LNDDVBBRMZBOGX-XYPHTWIQSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(Cl)c2)C[C@@H]1O ZINC001220201289 1034043092 /nfs/dbraw/zinc/04/30/92/1034043092.db2.gz LNDDVBBRMZBOGX-XYPHTWIQSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccc2Cl)C[C@@H]1O ZINC001220205799 1034047326 /nfs/dbraw/zinc/04/73/26/1034047326.db2.gz NMGNNQSYKFHCTD-VHSSKADRSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccc2Cl)C[C@@H]1O ZINC001220205799 1034047334 /nfs/dbraw/zinc/04/73/34/1034047334.db2.gz NMGNNQSYKFHCTD-VHSSKADRSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001220239489 1034066030 /nfs/dbraw/zinc/06/60/30/1034066030.db2.gz HDXFTEJHZIWSOZ-CVEARBPZSA-N 1 2 356.388 2.723 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001220239489 1034066043 /nfs/dbraw/zinc/06/60/43/1034066043.db2.gz HDXFTEJHZIWSOZ-CVEARBPZSA-N 1 2 356.388 2.723 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001220280408 1034096106 /nfs/dbraw/zinc/09/61/06/1034096106.db2.gz IQXYSXALZOXFIR-SOLBZPMBSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001220280408 1034096118 /nfs/dbraw/zinc/09/61/18/1034096118.db2.gz IQXYSXALZOXFIR-SOLBZPMBSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)c(OC)c2)C[C@@H]1O ZINC001220293930 1034105738 /nfs/dbraw/zinc/10/57/38/1034105738.db2.gz ZWUIDQDNDPSCMJ-JTDSTZFVSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(OC)c2)C[C@@H]1O ZINC001220293930 1034105747 /nfs/dbraw/zinc/10/57/47/1034105747.db2.gz ZWUIDQDNDPSCMJ-JTDSTZFVSA-N 1 2 366.889 2.612 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O)CC(C)(C)C ZINC001220416164 1034159706 /nfs/dbraw/zinc/15/97/06/1034159706.db2.gz LNKQZIKGFLIDSG-LZQZEXGQSA-N 1 2 357.498 2.682 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O)CC(C)(C)C ZINC001220416164 1034159712 /nfs/dbraw/zinc/15/97/12/1034159712.db2.gz LNKQZIKGFLIDSG-LZQZEXGQSA-N 1 2 357.498 2.682 20 30 FFEDLO CC(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220628673 1034302567 /nfs/dbraw/zinc/30/25/67/1034302567.db2.gz IIJJGNUIPJLSOT-IPELMVKDSA-N 1 2 362.901 2.535 20 30 FFEDLO CC(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220628673 1034302575 /nfs/dbraw/zinc/30/25/75/1034302575.db2.gz IIJJGNUIPJLSOT-IPELMVKDSA-N 1 2 362.901 2.535 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@@H]1O ZINC001220841045 1034421333 /nfs/dbraw/zinc/42/13/33/1034421333.db2.gz FGXGWNCEALWUJX-MSOLQXFVSA-N 1 2 351.491 2.785 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@@H]1O ZINC001220841045 1034421341 /nfs/dbraw/zinc/42/13/41/1034421341.db2.gz FGXGWNCEALWUJX-MSOLQXFVSA-N 1 2 351.491 2.785 20 30 FFEDLO CC(C)Cc1nc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C#CC(C)(C)C)no1 ZINC001226143932 1034544053 /nfs/dbraw/zinc/54/40/53/1034544053.db2.gz VCJGVIQFQFFJNY-HZPDHXFCSA-N 1 2 360.502 2.835 20 30 FFEDLO CCCSCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221348797 1034686773 /nfs/dbraw/zinc/68/67/73/1034686773.db2.gz SRZGDLYEOPYBEK-CRAIPNDOSA-N 1 2 361.486 2.873 20 30 FFEDLO CCCSCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221348797 1034686779 /nfs/dbraw/zinc/68/67/79/1034686779.db2.gz SRZGDLYEOPYBEK-CRAIPNDOSA-N 1 2 361.486 2.873 20 30 FFEDLO CCCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221421655 1034734825 /nfs/dbraw/zinc/73/48/25/1034734825.db2.gz DANHCLFYORIIKM-PWIZWCRZSA-N 1 2 355.482 2.796 20 30 FFEDLO CCCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221421655 1034734837 /nfs/dbraw/zinc/73/48/37/1034734837.db2.gz DANHCLFYORIIKM-PWIZWCRZSA-N 1 2 355.482 2.796 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ncoc3C(C)C)C[C@H]21 ZINC001221423476 1034738747 /nfs/dbraw/zinc/73/87/47/1034738747.db2.gz JLXMPCXYZBVWEV-JFIYKMOQSA-N 1 2 361.486 2.812 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ncoc3C(C)C)C[C@H]21 ZINC001221423476 1034738761 /nfs/dbraw/zinc/73/87/61/1034738761.db2.gz JLXMPCXYZBVWEV-JFIYKMOQSA-N 1 2 361.486 2.812 20 30 FFEDLO CCO[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21)C1CC1 ZINC001221559121 1034875152 /nfs/dbraw/zinc/87/51/52/1034875152.db2.gz UOZVBYFHRQHTQP-MISYRCLQSA-N 1 2 371.456 2.545 20 30 FFEDLO CCO[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21)C1CC1 ZINC001221559121 1034875159 /nfs/dbraw/zinc/87/51/59/1034875159.db2.gz UOZVBYFHRQHTQP-MISYRCLQSA-N 1 2 371.456 2.545 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cnc(OC)nc3C)C[C@H]21 ZINC001221573334 1034885433 /nfs/dbraw/zinc/88/54/33/1034885433.db2.gz AMPKXRUEQDMDNU-IEBWSBKVSA-N 1 2 370.497 2.595 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CC[N@H+](Cc3cnc(OC)nc3C)C[C@H]21 ZINC001221573334 1034885437 /nfs/dbraw/zinc/88/54/37/1034885437.db2.gz AMPKXRUEQDMDNU-IEBWSBKVSA-N 1 2 370.497 2.595 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(CC)CC)C[C@H]21 ZINC001221573602 1034887740 /nfs/dbraw/zinc/88/77/40/1034887740.db2.gz OONNKLKQOILCKY-GDBMZVCRSA-N 1 2 369.937 2.603 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(CC)CC)C[C@H]21 ZINC001221573602 1034887747 /nfs/dbraw/zinc/88/77/47/1034887747.db2.gz OONNKLKQOILCKY-GDBMZVCRSA-N 1 2 369.937 2.603 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(C)(C)CC)C[C@H]21 ZINC001221573664 1034888022 /nfs/dbraw/zinc/88/80/22/1034888022.db2.gz RHFWCZOWXDPUJY-HUUCEWRRSA-N 1 2 369.937 2.603 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(C)(C)CC)C[C@H]21 ZINC001221573664 1034888024 /nfs/dbraw/zinc/88/80/24/1034888024.db2.gz RHFWCZOWXDPUJY-HUUCEWRRSA-N 1 2 369.937 2.603 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCCCC3)C[C@H]21 ZINC001221585045 1034896499 /nfs/dbraw/zinc/89/64/99/1034896499.db2.gz QBMSPLSZOOECQL-IEBWSBKVSA-N 1 2 361.530 2.714 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCCCC3)C[C@H]21 ZINC001221585045 1034896504 /nfs/dbraw/zinc/89/65/04/1034896504.db2.gz QBMSPLSZOOECQL-IEBWSBKVSA-N 1 2 361.530 2.714 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CCCCC3)C[C@H]21 ZINC001221584826 1034897802 /nfs/dbraw/zinc/89/78/02/1034897802.db2.gz FERCDGYVSKFFCI-RTBURBONSA-N 1 2 361.530 2.572 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CCCCC3)C[C@H]21 ZINC001221584826 1034897805 /nfs/dbraw/zinc/89/78/05/1034897805.db2.gz FERCDGYVSKFFCI-RTBURBONSA-N 1 2 361.530 2.572 20 30 FFEDLO CCC[C@H](OC)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221733427 1035023833 /nfs/dbraw/zinc/02/38/33/1035023833.db2.gz PMPKPPINDMZXAP-LZQZEXGQSA-N 1 2 359.445 2.545 20 30 FFEDLO CCC[C@H](OC)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221733427 1035023842 /nfs/dbraw/zinc/02/38/42/1035023842.db2.gz PMPKPPINDMZXAP-LZQZEXGQSA-N 1 2 359.445 2.545 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001221753596 1035038771 /nfs/dbraw/zinc/03/87/71/1035038771.db2.gz GQNDIPJQJIYARK-ZHALLVOQSA-N 1 2 355.482 2.760 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001221753596 1035038780 /nfs/dbraw/zinc/03/87/80/1035038780.db2.gz GQNDIPJQJIYARK-ZHALLVOQSA-N 1 2 355.482 2.760 20 30 FFEDLO C=CCn1cc(C[N@H+]2Cc3c(cnn3CC)[C@@H](COCC3CC3)C2)cn1 ZINC001139767813 1035225288 /nfs/dbraw/zinc/22/52/88/1035225288.db2.gz BPQVINKWKDUMTM-GOSISDBHSA-N 1 2 355.486 2.812 20 30 FFEDLO C=CCn1cc(C[N@@H+]2Cc3c(cnn3CC)[C@@H](COCC3CC3)C2)cn1 ZINC001139767813 1035225293 /nfs/dbraw/zinc/22/52/93/1035225293.db2.gz BPQVINKWKDUMTM-GOSISDBHSA-N 1 2 355.486 2.812 20 30 FFEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1n[nH]c3ccc(OC)cc31)C2 ZINC001140067162 1035329687 /nfs/dbraw/zinc/32/96/87/1035329687.db2.gz IYWYOPQIBBRYRL-JXFKEZNVSA-N 1 2 357.454 2.898 20 30 FFEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1n[nH]c3ccc(OC)cc31)C2 ZINC001140067162 1035329691 /nfs/dbraw/zinc/32/96/91/1035329691.db2.gz IYWYOPQIBBRYRL-JXFKEZNVSA-N 1 2 357.454 2.898 20 30 FFEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccncc1O)CC2 ZINC001140274644 1035413500 /nfs/dbraw/zinc/41/35/00/1035413500.db2.gz KJOFPDVVZATJNO-UHFFFAOYSA-N 1 2 354.454 2.655 20 30 FFEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccncc1O)CC2 ZINC001140274644 1035413503 /nfs/dbraw/zinc/41/35/03/1035413503.db2.gz KJOFPDVVZATJNO-UHFFFAOYSA-N 1 2 354.454 2.655 20 30 FFEDLO COC(=O)c1ccc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1F ZINC000835021497 1035488670 /nfs/dbraw/zinc/48/86/70/1035488670.db2.gz WXRBVPUGLOQVQT-UHFFFAOYSA-N 1 2 357.385 2.895 20 30 FFEDLO COC(=O)c1sc(Cl)c(Cl)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001227385914 1035527569 /nfs/dbraw/zinc/52/75/69/1035527569.db2.gz OLJZHOPRTREMDZ-WQDSJKFHSA-N 1 2 364.250 2.833 20 30 FFEDLO COC(=O)c1sc(Cl)c(Cl)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001227385914 1035527572 /nfs/dbraw/zinc/52/75/72/1035527572.db2.gz OLJZHOPRTREMDZ-WQDSJKFHSA-N 1 2 364.250 2.833 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccnn1-c1ccccc1)CC2 ZINC001140525528 1035567055 /nfs/dbraw/zinc/56/70/55/1035567055.db2.gz KGUZEAGOLKFCAQ-UHFFFAOYSA-N 1 2 363.465 2.867 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccnn1-c1ccccc1)CC2 ZINC001140525528 1035567067 /nfs/dbraw/zinc/56/70/67/1035567067.db2.gz KGUZEAGOLKFCAQ-UHFFFAOYSA-N 1 2 363.465 2.867 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cnccc1Br ZINC001277258345 1035847035 /nfs/dbraw/zinc/84/70/35/1035847035.db2.gz WTDOMSFCWGKMQK-KRWDZBQOSA-N 1 2 364.287 2.987 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cnccc1Br ZINC001277258345 1035847051 /nfs/dbraw/zinc/84/70/51/1035847051.db2.gz WTDOMSFCWGKMQK-KRWDZBQOSA-N 1 2 364.287 2.987 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCc3ncnc(-c4cccnc4)c3CC2)c1 ZINC001232676640 1035933608 /nfs/dbraw/zinc/93/36/08/1035933608.db2.gz ANSSDRWXYCQHBX-UHFFFAOYSA-N 1 2 357.417 2.717 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCc3ncnc(-c4cccnc4)c3CC2)c1 ZINC001232676640 1035933615 /nfs/dbraw/zinc/93/36/15/1035933615.db2.gz ANSSDRWXYCQHBX-UHFFFAOYSA-N 1 2 357.417 2.717 20 30 FFEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc2ccccn2n1 ZINC001277276624 1035976403 /nfs/dbraw/zinc/97/64/03/1035976403.db2.gz GZDKTZIPQDGCDJ-FQEVSTJZSA-N 1 2 351.454 2.595 20 30 FFEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc2ccccn2n1 ZINC001277276624 1035976414 /nfs/dbraw/zinc/97/64/14/1035976414.db2.gz GZDKTZIPQDGCDJ-FQEVSTJZSA-N 1 2 351.454 2.595 20 30 FFEDLO N#Cc1c(F)cc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)cc1F ZINC001140757436 1036073065 /nfs/dbraw/zinc/07/30/65/1036073065.db2.gz JQDLGPYLICLZPR-SUMWQHHRSA-N 1 2 357.360 2.776 20 30 FFEDLO N#Cc1c(F)cc(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)cc1F ZINC001140757436 1036073085 /nfs/dbraw/zinc/07/30/85/1036073085.db2.gz JQDLGPYLICLZPR-SUMWQHHRSA-N 1 2 357.360 2.776 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)c1Cl ZINC001140810696 1036207104 /nfs/dbraw/zinc/20/71/04/1036207104.db2.gz CODWMOBPAJBRJK-ZWKOTPCHSA-N 1 2 366.852 2.982 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)c1Cl ZINC001140810696 1036207123 /nfs/dbraw/zinc/20/71/23/1036207123.db2.gz CODWMOBPAJBRJK-ZWKOTPCHSA-N 1 2 366.852 2.982 20 30 FFEDLO N#Cc1cc[nH]c1C[N@@H+]1CCc2nc(C(=O)N3CCCCC3)sc2CC1 ZINC001233043622 1036288399 /nfs/dbraw/zinc/28/83/99/1036288399.db2.gz KXYNIHNYXYTXLX-UHFFFAOYSA-N 1 2 369.494 2.570 20 30 FFEDLO N#Cc1cc[nH]c1C[N@H+]1CCc2nc(C(=O)N3CCCCC3)sc2CC1 ZINC001233043622 1036288414 /nfs/dbraw/zinc/28/84/14/1036288414.db2.gz KXYNIHNYXYTXLX-UHFFFAOYSA-N 1 2 369.494 2.570 20 30 FFEDLO COC(=O)[C@H]1C[C@@H](Oc2nc(C)c(-c3ccc4[nH+]ccn4c3)cc2C#N)C1 ZINC001229766865 1036881856 /nfs/dbraw/zinc/88/18/56/1036881856.db2.gz UZUYFZKYRKUZLF-FZNQNYSPSA-N 1 2 362.389 2.907 20 30 FFEDLO COc1ccc2nc(C[N@@H+]3C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C3)sc2c1 ZINC001206946119 1036967042 /nfs/dbraw/zinc/96/70/42/1036967042.db2.gz LCAFNDPBPAZZIG-RHSMWYFYSA-N 1 2 371.506 2.901 20 30 FFEDLO COc1ccc2nc(C[N@H+]3C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C3)sc2c1 ZINC001206946119 1036967058 /nfs/dbraw/zinc/96/70/58/1036967058.db2.gz LCAFNDPBPAZZIG-RHSMWYFYSA-N 1 2 371.506 2.901 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2csc(-c3ccoc3)n2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206951748 1036972983 /nfs/dbraw/zinc/97/29/83/1036972983.db2.gz HQSDFGPDEUBVCA-CXAGYDPISA-N 1 2 355.463 2.753 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2csc(-c3ccoc3)n2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206951748 1036972996 /nfs/dbraw/zinc/97/29/96/1036972996.db2.gz HQSDFGPDEUBVCA-CXAGYDPISA-N 1 2 355.463 2.753 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2Cl)C[C@H]1C ZINC001206959958 1036987825 /nfs/dbraw/zinc/98/78/25/1036987825.db2.gz LYRNQJSRFGKKKH-CZUORRHYSA-N 1 2 369.292 2.970 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2Cl)C[C@H]1C ZINC001206959958 1036987835 /nfs/dbraw/zinc/98/78/35/1036987835.db2.gz LYRNQJSRFGKKKH-CZUORRHYSA-N 1 2 369.292 2.970 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CCC(=O)N(CC(F)F)C3)CC2)c1 ZINC001277850050 1037007243 /nfs/dbraw/zinc/00/72/43/1037007243.db2.gz MIIBZKBDQFYWNF-UHFFFAOYSA-N 1 2 363.408 2.734 20 30 FFEDLO C=CC(=O)OC[C@H](COC(=O)C(=C)C)Oc1ccc(C(=[NH2+])OCC)cc1 ZINC001234587872 1037102791 /nfs/dbraw/zinc/10/27/91/1037102791.db2.gz DWTYUVOSXYCLTI-MRXNPFEDSA-N 1 2 361.394 2.644 20 30 FFEDLO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4ncc(F)cc4F)C3)CC2=O)c1 ZINC001207098042 1037143922 /nfs/dbraw/zinc/14/39/22/1037143922.db2.gz DYMXWCDFNHXXDC-FQEVSTJZSA-N 1 2 368.387 2.860 20 30 FFEDLO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4ncc(F)cc4F)C3)CC2=O)c1 ZINC001207098042 1037143925 /nfs/dbraw/zinc/14/39/25/1037143925.db2.gz DYMXWCDFNHXXDC-FQEVSTJZSA-N 1 2 368.387 2.860 20 30 FFEDLO CCc1nc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC#Cc2ccccc2)no1 ZINC001230229833 1037163455 /nfs/dbraw/zinc/16/34/55/1037163455.db2.gz XDCHDKHOEMSKQO-QZTJIDSGSA-N 1 2 366.465 2.591 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)c1F ZINC001276510519 1037175353 /nfs/dbraw/zinc/17/53/53/1037175353.db2.gz NSGLNTCRWPDCNY-ZIAGYGMSSA-N 1 2 355.335 2.825 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)c1F ZINC001276510519 1037175361 /nfs/dbraw/zinc/17/53/61/1037175361.db2.gz NSGLNTCRWPDCNY-ZIAGYGMSSA-N 1 2 355.335 2.825 20 30 FFEDLO N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2[nH]nc3ccc(F)cc32)C1=O ZINC001276511940 1037192483 /nfs/dbraw/zinc/19/24/83/1037192483.db2.gz VCVRINQDGQFAQZ-LJQANCHMSA-N 1 2 355.417 2.573 20 30 FFEDLO N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2[nH]nc3ccc(F)cc32)C1=O ZINC001276511940 1037192494 /nfs/dbraw/zinc/19/24/94/1037192494.db2.gz VCVRINQDGQFAQZ-LJQANCHMSA-N 1 2 355.417 2.573 20 30 FFEDLO CC(=O)[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)cc(C#N)c1)CC2 ZINC001277480036 1037438424 /nfs/dbraw/zinc/43/84/24/1037438424.db2.gz ZSCZHQFLSUUGAT-ACJLOTCBSA-N 1 2 373.884 2.907 20 30 FFEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(F)c(F)c1Cl)CC2 ZINC001277958718 1037658023 /nfs/dbraw/zinc/65/80/23/1037658023.db2.gz QDYXOYUIAUVSDX-CYBMUJFWSA-N 1 2 352.812 2.970 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3ccc(F)c(F)c3Cl)C2)OCC1=O ZINC001277959080 1037660753 /nfs/dbraw/zinc/66/07/53/1037660753.db2.gz VTAAEXPEVDJDIQ-SFHVURJKSA-N 1 2 370.827 2.998 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3ccc(F)c(F)c3Cl)C2)OCC1=O ZINC001277959080 1037660757 /nfs/dbraw/zinc/66/07/57/1037660757.db2.gz VTAAEXPEVDJDIQ-SFHVURJKSA-N 1 2 370.827 2.998 20 30 FFEDLO COc1ncc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)cc1Cl ZINC001235708012 1037702640 /nfs/dbraw/zinc/70/26/40/1037702640.db2.gz UWWZKMAZOSMNLW-UHFFFAOYSA-N 1 2 357.845 2.723 20 30 FFEDLO COc1ncc(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)cc1Cl ZINC001235708012 1037702656 /nfs/dbraw/zinc/70/26/56/1037702656.db2.gz UWWZKMAZOSMNLW-UHFFFAOYSA-N 1 2 357.845 2.723 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(N(C)C)cc1OC ZINC001231851593 1037948896 /nfs/dbraw/zinc/94/88/96/1037948896.db2.gz FEWZIFSXCWACKZ-IBGZPJMESA-N 1 2 370.497 2.797 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(N(C)C)cc1OC ZINC001231851593 1037948905 /nfs/dbraw/zinc/94/89/05/1037948905.db2.gz FEWZIFSXCWACKZ-IBGZPJMESA-N 1 2 370.497 2.797 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N[C@@H](C)c2cccs2)C[C@H]1C ZINC001208318455 1038211636 /nfs/dbraw/zinc/21/16/36/1038211636.db2.gz YFPKOCHOIHRIGI-QLFBSQMISA-N 1 2 363.527 2.574 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)c2cccs2)C[C@H]1C ZINC001208318455 1038211649 /nfs/dbraw/zinc/21/16/49/1038211649.db2.gz YFPKOCHOIHRIGI-QLFBSQMISA-N 1 2 363.527 2.574 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3ccccc3)o2)C[C@H]1C ZINC001208318459 1038212356 /nfs/dbraw/zinc/21/23/56/1038212356.db2.gz YGXPUWNTUKCCDN-GDBMZVCRSA-N 1 2 354.454 2.885 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3ccccc3)o2)C[C@H]1C ZINC001208318459 1038212372 /nfs/dbraw/zinc/21/23/72/1038212372.db2.gz YGXPUWNTUKCCDN-GDBMZVCRSA-N 1 2 354.454 2.885 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)CCCC3CC3)C2)c1 ZINC001208382751 1038271527 /nfs/dbraw/zinc/27/15/27/1038271527.db2.gz NOKKNLRCTDRFMZ-OXQOHEQNSA-N 1 2 367.493 2.623 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CCCC3CC3)C2)c1 ZINC001208382751 1038271537 /nfs/dbraw/zinc/27/15/37/1038271537.db2.gz NOKKNLRCTDRFMZ-OXQOHEQNSA-N 1 2 367.493 2.623 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)ccc(F)c1Cl ZINC001278023046 1038331446 /nfs/dbraw/zinc/33/14/46/1038331446.db2.gz IFEHEHOHVGVXJC-GOSISDBHSA-N 1 2 350.821 2.775 20 30 FFEDLO C[NH+]1CCN(c2ccc(CN3CC[C@@H](C#N)C3)cc2Br)CC1 ZINC001237091660 1038441191 /nfs/dbraw/zinc/44/11/91/1038441191.db2.gz CGQIWPUGNJKNOI-HNNXBMFYSA-N 1 2 363.303 2.546 20 30 FFEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C(=O)OCC ZINC001256459196 1038521272 /nfs/dbraw/zinc/52/12/72/1038521272.db2.gz PSDCBPHAUXTCGT-NRTGNBEESA-N 1 2 352.475 2.872 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1c2ccccc2nn1C ZINC001209537852 1038970615 /nfs/dbraw/zinc/97/06/15/1038970615.db2.gz YBZQKVJDUYNQFN-IBGZPJMESA-N 1 2 351.454 2.609 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1c2ccccc2nn1C ZINC001209537852 1038970631 /nfs/dbraw/zinc/97/06/31/1038970631.db2.gz YBZQKVJDUYNQFN-IBGZPJMESA-N 1 2 351.454 2.609 20 30 FFEDLO CC(C)CN1CCC2(CC[NH+](CC(=O)c3cccc(C#N)c3)CC2)C1=O ZINC001276677723 1039364433 /nfs/dbraw/zinc/36/44/33/1039364433.db2.gz DTLDKLJBZCHUOT-UHFFFAOYSA-N 1 2 353.466 2.711 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](OCc2ccc(-c3ccccc3C#N)cc2)C[N@@H+]1C ZINC001210247358 1039447509 /nfs/dbraw/zinc/44/75/09/1039447509.db2.gz TZHUDPIXXFDXMB-QUCCMNQESA-N 1 2 350.418 2.988 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](OCc2ccc(-c3ccccc3C#N)cc2)C[N@H+]1C ZINC001210247358 1039447511 /nfs/dbraw/zinc/44/75/11/1039447511.db2.gz TZHUDPIXXFDXMB-QUCCMNQESA-N 1 2 350.418 2.988 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cccc2)C1 ZINC001210440299 1039549524 /nfs/dbraw/zinc/54/95/24/1039549524.db2.gz SBGYJCMZTLFGSD-BPLDGKMQSA-N 1 2 354.292 2.784 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cccc2)C1 ZINC001210440299 1039549540 /nfs/dbraw/zinc/54/95/40/1039549540.db2.gz SBGYJCMZTLFGSD-BPLDGKMQSA-N 1 2 354.292 2.784 20 30 FFEDLO N#Cc1ccc(-c2noc([C@@H]([NH3+])c3ccc(Br)cc3)n2)nc1 ZINC001247691012 1039896918 /nfs/dbraw/zinc/89/69/18/1039896918.db2.gz WTCNTADSCVSJNR-ZDUSSCGKSA-N 1 2 356.183 2.814 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2nccn2CC)C[C@H]1C)c1ccccc1 ZINC001211240744 1040026274 /nfs/dbraw/zinc/02/62/74/1040026274.db2.gz BHANOKRPVWPOFM-NZSAHSFTSA-N 1 2 352.482 2.809 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2nccn2CC)C[C@H]1C)c1ccccc1 ZINC001211240744 1040026292 /nfs/dbraw/zinc/02/62/92/1040026292.db2.gz BHANOKRPVWPOFM-NZSAHSFTSA-N 1 2 352.482 2.809 20 30 FFEDLO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH+]1CC(O)C1 ZINC001253615552 1040255944 /nfs/dbraw/zinc/25/59/44/1040255944.db2.gz KLUFEASBYAPVKL-FQEVSTJZSA-N 1 2 359.551 2.978 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213320148 1040445756 /nfs/dbraw/zinc/44/57/56/1040445756.db2.gz NXIBFOUBQPYTHA-NIKGAXFTSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213320148 1040445761 /nfs/dbraw/zinc/44/57/61/1040445761.db2.gz NXIBFOUBQPYTHA-NIKGAXFTSA-N 1 2 359.445 2.615 20 30 FFEDLO CC(=O)O[C@H](C)[C@H]([NH3+])c1nc(-c2cc(Cl)c(C#N)cc2Cl)no1 ZINC001249268769 1040659886 /nfs/dbraw/zinc/65/98/86/1040659886.db2.gz TWSLQCRPWRYKNI-INWYIAFRSA-N 1 2 355.181 2.866 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@H](C)c1ccco1 ZINC001213734357 1040855737 /nfs/dbraw/zinc/85/57/37/1040855737.db2.gz UUKHHNWBYPBBJA-QKYXUNIQSA-N 1 2 367.449 2.660 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@H](C)c1ccco1 ZINC001213734357 1040855742 /nfs/dbraw/zinc/85/57/42/1040855742.db2.gz UUKHHNWBYPBBJA-QKYXUNIQSA-N 1 2 367.449 2.660 20 30 FFEDLO C=C[C@@H](COC)NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001537964633 1070304831 /nfs/dbraw/zinc/30/48/31/1070304831.db2.gz HARVQOVOAAHSAG-HOTGVXAUSA-N 1 2 367.287 2.903 20 30 FFEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1cccc(C#N)c1F)C2 ZINC001249678720 1040933269 /nfs/dbraw/zinc/93/32/69/1040933269.db2.gz KXVKFTQDFOTWBK-UHFFFAOYSA-N 1 2 356.449 2.535 20 30 FFEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1cccc(C#N)c1F)C2 ZINC001249678720 1040933275 /nfs/dbraw/zinc/93/32/75/1040933275.db2.gz KXVKFTQDFOTWBK-UHFFFAOYSA-N 1 2 356.449 2.535 20 30 FFEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1)C(=O)OCC ZINC001254765280 1040937643 /nfs/dbraw/zinc/93/76/43/1040937643.db2.gz RKUIXPQWZGVUJH-SXGZJXTBSA-N 1 2 364.486 2.873 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1OC)c1ccccc1 ZINC001213900033 1041046858 /nfs/dbraw/zinc/04/68/58/1041046858.db2.gz QMYFZBMTNGKMIC-YVWKXTFCSA-N 1 2 369.465 2.658 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1OC)c1ccccc1 ZINC001213900033 1041046872 /nfs/dbraw/zinc/04/68/72/1041046872.db2.gz QMYFZBMTNGKMIC-YVWKXTFCSA-N 1 2 369.465 2.658 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2noc(-c3ccccc3)n2)C1 ZINC001214468075 1041450998 /nfs/dbraw/zinc/45/09/98/1041450998.db2.gz UGFVEPIQUPNYQX-SJLPKXTDSA-N 1 2 366.465 2.867 20 30 FFEDLO C#CCN1C[C@@]2(CC[N@@H+](Cc3ccc(C)c(Cl)c3Cl)C2)OCC1=O ZINC001276715265 1041607197 /nfs/dbraw/zinc/60/71/97/1041607197.db2.gz BFWWLKGGFQGQDJ-SFHVURJKSA-N 1 2 367.276 2.738 20 30 FFEDLO C#CCN1C[C@@]2(CC[N@H+](Cc3ccc(C)c(Cl)c3Cl)C2)OCC1=O ZINC001276715265 1041607199 /nfs/dbraw/zinc/60/71/99/1041607199.db2.gz BFWWLKGGFQGQDJ-SFHVURJKSA-N 1 2 367.276 2.738 20 30 FFEDLO COc1ccc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)cc1C#N ZINC001215004471 1041641734 /nfs/dbraw/zinc/64/17/34/1041641734.db2.gz JOYBFIUKECDHIQ-UHFFFAOYSA-N 1 2 364.449 2.831 20 30 FFEDLO CCO[C@@H]1C[C@H](N(C)c2nnc(C3CC[NH+](CCC#N)CC3)n2C)C1(C)C ZINC001262873531 1041918586 /nfs/dbraw/zinc/91/85/86/1041918586.db2.gz LENMAPNQLYCOGQ-DLBZAZTESA-N 1 2 374.533 2.548 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](c2ccccc2)C1 ZINC001262873287 1041918951 /nfs/dbraw/zinc/91/89/51/1041918951.db2.gz BQQJIRFTZIQHRI-LJQANCHMSA-N 1 2 364.497 2.902 20 30 FFEDLO C=CCn1c([C@@H](C)[C@@H](O)CC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001262938128 1041975539 /nfs/dbraw/zinc/97/55/39/1041975539.db2.gz SQGVYBHPUVGEJE-RDJZCZTQSA-N 1 2 370.501 2.814 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001262948422 1041982696 /nfs/dbraw/zinc/98/26/96/1041982696.db2.gz LDOOEGWIWKHWLK-ROUUACIJSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001262948422 1041982702 /nfs/dbraw/zinc/98/27/02/1041982702.db2.gz LDOOEGWIWKHWLK-ROUUACIJSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](Cc3ccccc3)CCO2)nnc1N(CC)CC ZINC001262953979 1041986059 /nfs/dbraw/zinc/98/60/59/1041986059.db2.gz ITDAZGNKGONCDN-SFHVURJKSA-N 1 2 355.486 2.884 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nnc1N(CC)CC ZINC001262953979 1041986066 /nfs/dbraw/zinc/98/60/66/1041986066.db2.gz ITDAZGNKGONCDN-SFHVURJKSA-N 1 2 355.486 2.884 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)Cc1cccc(C)c1 ZINC001262956878 1041988232 /nfs/dbraw/zinc/98/82/32/1041988232.db2.gz ALBKUFSUWGAGTA-UHFFFAOYSA-N 1 2 369.513 2.613 20 30 FFEDLO C=CCn1c(C(CC)CC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001262985867 1042010156 /nfs/dbraw/zinc/01/01/56/1042010156.db2.gz HMUGCYNCSLBYTE-UHFFFAOYSA-N 1 2 355.490 2.793 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@@H](C)CCSC ZINC001263025032 1042042899 /nfs/dbraw/zinc/04/28/99/1042042899.db2.gz RGLMXQAPULKYBB-HNNXBMFYSA-N 1 2 364.563 2.969 20 30 FFEDLO C=C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1)c1ccccc1 ZINC001216811820 1042132421 /nfs/dbraw/zinc/13/24/21/1042132421.db2.gz SAIIGVUJKFWYFD-RVKKMQEKSA-N 1 2 356.495 2.835 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@](C)(C(F)F)C1 ZINC001263341630 1042250404 /nfs/dbraw/zinc/25/04/04/1042250404.db2.gz UAIQPUVMNDQKQG-RDTXWAMCSA-N 1 2 369.460 2.871 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@](C)(C(F)F)C1 ZINC001263341630 1042250409 /nfs/dbraw/zinc/25/04/09/1042250409.db2.gz UAIQPUVMNDQKQG-RDTXWAMCSA-N 1 2 369.460 2.871 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@H](C#N)C2)n1C[C@H]1CCCCO1 ZINC001263603763 1042396655 /nfs/dbraw/zinc/39/66/55/1042396655.db2.gz NSZMSCQZHQSBIZ-KZNAEPCWSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@H](C#N)C2)n1C[C@H]1CCCCO1 ZINC001263603763 1042396657 /nfs/dbraw/zinc/39/66/57/1042396657.db2.gz NSZMSCQZHQSBIZ-KZNAEPCWSA-N 1 2 372.517 2.744 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2ncc(C)cn2)[C@@H]1CC)OCC ZINC001264054158 1042600351 /nfs/dbraw/zinc/60/03/51/1042600351.db2.gz BUBWRMFWGREFQQ-RCCFBDPRSA-N 1 2 360.502 2.625 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)cn2)[C@@H]1CC)OCC ZINC001264054158 1042600353 /nfs/dbraw/zinc/60/03/53/1042600353.db2.gz BUBWRMFWGREFQQ-RCCFBDPRSA-N 1 2 360.502 2.625 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001264363485 1042666771 /nfs/dbraw/zinc/66/67/71/1042666771.db2.gz IYVBCJOVKJCVLN-OAGGEKHMSA-N 1 2 360.420 2.538 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001264363485 1042666774 /nfs/dbraw/zinc/66/67/74/1042666774.db2.gz IYVBCJOVKJCVLN-OAGGEKHMSA-N 1 2 360.420 2.538 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001264368308 1042667483 /nfs/dbraw/zinc/66/74/83/1042667483.db2.gz CTNCRFKQLMXNDU-RRFJBIMHSA-N 1 2 366.914 2.688 20 30 FFEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001264368308 1042667486 /nfs/dbraw/zinc/66/74/86/1042667486.db2.gz CTNCRFKQLMXNDU-RRFJBIMHSA-N 1 2 366.914 2.688 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2ccn(-c3ccccc3)n2)[C@@H]1C ZINC001264698466 1042784824 /nfs/dbraw/zinc/78/48/24/1042784824.db2.gz GOXOGDRGQJPSIU-XLIONFOSSA-N 1 2 350.466 2.755 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccn(-c3ccccc3)n2)[C@@H]1C ZINC001264698466 1042784831 /nfs/dbraw/zinc/78/48/31/1042784831.db2.gz GOXOGDRGQJPSIU-XLIONFOSSA-N 1 2 350.466 2.755 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccco2)[C@@H]1C ZINC001264721032 1042802657 /nfs/dbraw/zinc/80/26/57/1042802657.db2.gz DVYYXPUTCACMEU-OAGGEKHMSA-N 1 2 361.486 2.638 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccco2)[C@@H]1C ZINC001264721032 1042802659 /nfs/dbraw/zinc/80/26/59/1042802659.db2.gz DVYYXPUTCACMEU-OAGGEKHMSA-N 1 2 361.486 2.638 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CCCC(F)(F)F)c(F)c1 ZINC001279226017 1042952907 /nfs/dbraw/zinc/95/29/07/1042952907.db2.gz ITZYZXGDJWGSDP-SJORKVTESA-N 1 2 371.378 2.925 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CCCC(F)(F)F)c(F)c1 ZINC001279226017 1042952910 /nfs/dbraw/zinc/95/29/10/1042952910.db2.gz ITZYZXGDJWGSDP-SJORKVTESA-N 1 2 371.378 2.925 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3CCCc2ccc(F)cc2)cc1C#N ZINC001278103308 1043190285 /nfs/dbraw/zinc/19/02/85/1043190285.db2.gz RMDFXVPEENIBFN-OYRHEFFESA-N 1 2 352.457 2.927 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3CCCc2ccc(F)cc2)cc1C#N ZINC001278103308 1043190289 /nfs/dbraw/zinc/19/02/89/1043190289.db2.gz RMDFXVPEENIBFN-OYRHEFFESA-N 1 2 352.457 2.927 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@]12CC[N@H+](Cc1cn3cc(C#N)ccc3n1)C2 ZINC001237605162 1043264783 /nfs/dbraw/zinc/26/47/83/1043264783.db2.gz VWTKILULAHKMSM-HXUWFJFHSA-N 1 2 367.453 2.791 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@]12CC[N@@H+](Cc1cn3cc(C#N)ccc3n1)C2 ZINC001237605162 1043264789 /nfs/dbraw/zinc/26/47/89/1043264789.db2.gz VWTKILULAHKMSM-HXUWFJFHSA-N 1 2 367.453 2.791 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2cn3cc(C#N)ccc3n2)Cc2cnn(CC)c21 ZINC001237605785 1043266396 /nfs/dbraw/zinc/26/63/96/1043266396.db2.gz KBXQENQCTRIZNP-QGZVFWFLSA-N 1 2 364.453 2.558 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2cn3cc(C#N)ccc3n2)Cc2cnn(CC)c21 ZINC001237605785 1043266405 /nfs/dbraw/zinc/26/64/05/1043266405.db2.gz KBXQENQCTRIZNP-QGZVFWFLSA-N 1 2 364.453 2.558 20 30 FFEDLO N#Cc1ccc2nc(C[N@@H+]3CCc4c(cnn4-c4ccccc4)C3)cn2c1 ZINC001237608004 1043268273 /nfs/dbraw/zinc/26/82/73/1043268273.db2.gz BWKRRROATYKDJM-UHFFFAOYSA-N 1 2 354.417 2.950 20 30 FFEDLO N#Cc1ccc2nc(C[N@H+]3CCc4c(cnn4-c4ccccc4)C3)cn2c1 ZINC001237608004 1043268279 /nfs/dbraw/zinc/26/82/79/1043268279.db2.gz BWKRRROATYKDJM-UHFFFAOYSA-N 1 2 354.417 2.950 20 30 FFEDLO CCOc1ccc(N2CC[NH+](Cc3cn4cc(C#N)ccc4n3)CC2)cc1 ZINC001237616941 1043274822 /nfs/dbraw/zinc/27/48/22/1043274822.db2.gz ICPSHYAWFJHIRU-UHFFFAOYSA-N 1 2 361.449 2.927 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(Br)c(C)cc2O)CC1 ZINC001237687123 1043315390 /nfs/dbraw/zinc/31/53/90/1043315390.db2.gz ZUTNYNHHNTXJPF-UHFFFAOYSA-N 1 2 367.243 2.742 20 30 FFEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccccc2Oc2cnccn2)CC1 ZINC001238021162 1043488722 /nfs/dbraw/zinc/48/87/22/1043488722.db2.gz ZWFCHKBAQGTJHM-UHFFFAOYSA-N 1 2 366.421 2.938 20 30 FFEDLO CC(C)C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC001309889185 1043574869 /nfs/dbraw/zinc/57/48/69/1043574869.db2.gz JLACOAVBTHXCFB-AWEZNQCLSA-N 1 2 355.891 2.562 20 30 FFEDLO CC(C)C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC001309889185 1043574880 /nfs/dbraw/zinc/57/48/80/1043574880.db2.gz JLACOAVBTHXCFB-AWEZNQCLSA-N 1 2 355.891 2.562 20 30 FFEDLO C#CCN1CC[NH+](Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC001238210213 1043608729 /nfs/dbraw/zinc/60/87/29/1043608729.db2.gz ISNOIOPOJVESTR-UHFFFAOYSA-N 1 2 355.482 2.735 20 30 FFEDLO C#CC[NH+]1CCN(Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC001238210213 1043608738 /nfs/dbraw/zinc/60/87/38/1043608738.db2.gz ISNOIOPOJVESTR-UHFFFAOYSA-N 1 2 355.482 2.735 20 30 FFEDLO COc1ccc(Cl)cc1C[NH+]1CC2(C[C@@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001279933410 1043940516 /nfs/dbraw/zinc/94/05/16/1043940516.db2.gz JLGDDGGFDOVTHT-MRXNPFEDSA-N 1 2 359.857 2.543 20 30 FFEDLO C=CCc1cccc(C[NH+]2CC3(C2)CC[C@H](C(=O)NC(C)(C)C)O3)c1O ZINC001279978330 1044024585 /nfs/dbraw/zinc/02/45/85/1044024585.db2.gz IBZHWEHJELQYNR-QGZVFWFLSA-N 1 2 358.482 2.769 20 30 FFEDLO N#Cc1cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)ccc1Cl ZINC001280074688 1044172627 /nfs/dbraw/zinc/17/26/27/1044172627.db2.gz QNLCXSHEQGMIEI-MOPGFXCFSA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)ccc1Cl ZINC001280074688 1044172629 /nfs/dbraw/zinc/17/26/29/1044172629.db2.gz QNLCXSHEQGMIEI-MOPGFXCFSA-N 1 2 356.857 2.625 20 30 FFEDLO C[C@@H]1c2nc(C(=O)NC3(C#N)CCC3)cn2CC[N@H+]1C[C@H]1CC=CCC1 ZINC001280236639 1044445465 /nfs/dbraw/zinc/44/54/65/1044445465.db2.gz KTPROABLPVUQEU-CVEARBPZSA-N 1 2 353.470 2.792 20 30 FFEDLO C[C@@H]1c2nc(C(=O)NC3(C#N)CCC3)cn2CC[N@@H+]1C[C@H]1CC=CCC1 ZINC001280236639 1044445472 /nfs/dbraw/zinc/44/54/72/1044445472.db2.gz KTPROABLPVUQEU-CVEARBPZSA-N 1 2 353.470 2.792 20 30 FFEDLO COc1cc(C[NH+]2CC3(CN(C(=O)Cc4ccsc4)C3)C2)ccc1C#N ZINC001280316355 1044595298 /nfs/dbraw/zinc/59/52/98/1044595298.db2.gz WUYOISLSJNBRHM-UHFFFAOYSA-N 1 2 367.474 2.515 20 30 FFEDLO C#CCCCCCC(=O)N[C@H]1CC[N@H+](Cc2cc3n(n2)CCCC3)[C@@H]1C ZINC001316787619 1044970333 /nfs/dbraw/zinc/97/03/33/1044970333.db2.gz JMIZYKHNCRPYHL-XLIONFOSSA-N 1 2 356.514 2.882 20 30 FFEDLO C#CCCCCCC(=O)N[C@H]1CC[N@@H+](Cc2cc3n(n2)CCCC3)[C@@H]1C ZINC001316787619 1044970349 /nfs/dbraw/zinc/97/03/49/1044970349.db2.gz JMIZYKHNCRPYHL-XLIONFOSSA-N 1 2 356.514 2.882 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001281800832 1045155345 /nfs/dbraw/zinc/15/53/45/1045155345.db2.gz GFBDXNCTOHNOOO-YXKFXFPPSA-N 1 2 354.454 2.742 20 30 FFEDLO Cc1cn2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)ccc2[nH+]1 ZINC001321436832 1045663728 /nfs/dbraw/zinc/66/37/28/1045663728.db2.gz AIKRPTVTZUKKKV-OAHLLOKOSA-N 1 2 359.389 2.506 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC001324829415 1046245559 /nfs/dbraw/zinc/24/55/59/1046245559.db2.gz UTZDMCSHNJWBMZ-QFBILLFUSA-N 1 2 363.465 2.943 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 ZINC001286470069 1047119293 /nfs/dbraw/zinc/11/92/93/1047119293.db2.gz RYYWWXKBAOBANE-DYESRHJHSA-N 1 2 373.545 2.679 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CCOc2ccccc2)CC1 ZINC001286471546 1047120783 /nfs/dbraw/zinc/12/07/83/1047120783.db2.gz LSIILULAVKOIMQ-GOSISDBHSA-N 1 2 367.497 2.626 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2CCCCSC)CC1 ZINC001286476143 1047120804 /nfs/dbraw/zinc/12/08/04/1047120804.db2.gz PGMIHXYLYRDPEN-UHFFFAOYSA-N 1 2 369.538 2.844 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2CCSCC(C)C)CC1 ZINC001286479000 1047121293 /nfs/dbraw/zinc/12/12/93/1047121293.db2.gz NSTCODKWFUFBAS-UHFFFAOYSA-N 1 2 363.575 2.621 20 30 FFEDLO C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CCCNc1cccc[nH+]1 ZINC001286972416 1047196849 /nfs/dbraw/zinc/19/68/49/1047196849.db2.gz RLURZPUGWUHSKW-JKSUJKDBSA-N 1 2 369.473 2.623 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001290169217 1047886716 /nfs/dbraw/zinc/88/67/16/1047886716.db2.gz PLZPKKFAMPMCGI-GOEBONIOSA-N 1 2 354.454 2.934 20 30 FFEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]N[C@H]1CC(C)(C)OC1(C)C ZINC001331365538 1047893949 /nfs/dbraw/zinc/89/39/49/1047893949.db2.gz WTNDTZLUHPSEHR-INIZCTEOSA-N 1 2 367.453 2.754 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCC(C)(C)O2)CC1 ZINC001331484197 1047963532 /nfs/dbraw/zinc/96/35/32/1047963532.db2.gz JEXMUFBAWLHZAA-GOSISDBHSA-N 1 2 371.529 2.649 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001290318365 1048010355 /nfs/dbraw/zinc/01/03/55/1048010355.db2.gz PPEYQCUIBWKNDT-WBVHZDCISA-N 1 2 366.465 2.579 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(S(=O)(=O)c2ccc(CCC#N)cc2)C1 ZINC001331670032 1048051252 /nfs/dbraw/zinc/05/12/52/1048051252.db2.gz STGWYTNYBPHVRJ-KRWDZBQOSA-N 1 2 372.494 2.520 20 30 FFEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC001332094220 1048243787 /nfs/dbraw/zinc/24/37/87/1048243787.db2.gz QJLHRDWVQPFNSK-OAQYLSRUSA-N 1 2 358.445 2.760 20 30 FFEDLO O=C(/C=C/c1ccc(F)cc1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC001540749929 1070985169 /nfs/dbraw/zinc/98/51/69/1070985169.db2.gz RTSWBJSTTPWZLW-JXMROGBWSA-N 1 2 352.409 2.583 20 30 FFEDLO O=C(/C=C/c1ccc(F)cc1)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC001540749929 1070985180 /nfs/dbraw/zinc/98/51/80/1070985180.db2.gz RTSWBJSTTPWZLW-JXMROGBWSA-N 1 2 352.409 2.583 20 30 FFEDLO C[C@@H](C#N)CN(C)c1nnc(CC2CC2)n1CCc1cn2ccccc2[nH+]1 ZINC001541117274 1071057316 /nfs/dbraw/zinc/05/73/16/1071057316.db2.gz CFOMPNSQWXBJMM-HNNXBMFYSA-N 1 2 363.469 2.717 20 30 FFEDLO CC(C)Cc1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001541422216 1071097978 /nfs/dbraw/zinc/09/79/78/1071097978.db2.gz GJGRPJYRMIGOGJ-HNNXBMFYSA-N 1 2 355.490 2.724 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001295786630 1049984616 /nfs/dbraw/zinc/98/46/16/1049984616.db2.gz FRXODJMYAXZJSZ-KZNAEPCWSA-N 1 2 370.497 2.731 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001295786630 1049984621 /nfs/dbraw/zinc/98/46/21/1049984621.db2.gz FRXODJMYAXZJSZ-KZNAEPCWSA-N 1 2 370.497 2.731 20 30 FFEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@@H](O)CC[C@@H](O)c2ccccc2)C1 ZINC001341614369 1050242561 /nfs/dbraw/zinc/24/25/61/1050242561.db2.gz GILUEZKVVHEARG-TUNNFDKTSA-N 1 2 365.477 2.813 20 30 FFEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@@H](O)CC[C@@H](O)c2ccccc2)C1 ZINC001341614369 1050242572 /nfs/dbraw/zinc/24/25/72/1050242572.db2.gz GILUEZKVVHEARG-TUNNFDKTSA-N 1 2 365.477 2.813 20 30 FFEDLO C=C(C)Cn1c(N(C)[C@H](C)c2ccccc2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001341841441 1050452109 /nfs/dbraw/zinc/45/21/09/1050452109.db2.gz ZCQBSEXHHREGCV-HGHGUNKESA-N 1 2 369.513 2.963 20 30 FFEDLO C=C(C)Cn1c(N(C)[C@H](C)c2ccccc2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001341841441 1050452119 /nfs/dbraw/zinc/45/21/19/1050452119.db2.gz ZCQBSEXHHREGCV-HGHGUNKESA-N 1 2 369.513 2.963 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1Cc2ccccc2C1 ZINC001342022061 1050619280 /nfs/dbraw/zinc/61/92/80/1050619280.db2.gz XLQDYFCNZIHUCZ-SFHVURJKSA-N 1 2 353.470 2.766 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1Cc2ccccc2C1 ZINC001342022061 1050619289 /nfs/dbraw/zinc/61/92/89/1050619289.db2.gz XLQDYFCNZIHUCZ-SFHVURJKSA-N 1 2 353.470 2.766 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001340298198 1050698253 /nfs/dbraw/zinc/69/82/53/1050698253.db2.gz XZXWAHIHRWUDQR-GOSISDBHSA-N 1 2 359.518 2.703 20 30 FFEDLO C=CCn1c([C@@H](O)CC(C)C)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001340400979 1050794525 /nfs/dbraw/zinc/79/45/25/1050794525.db2.gz ZEIDXTQHPANPRS-KRWDZBQOSA-N 1 2 370.501 2.567 20 30 FFEDLO C=CCn1c(-c2ccccn2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001301447212 1050897318 /nfs/dbraw/zinc/89/73/18/1050897318.db2.gz YPPIAYLFQIBFKJ-UHFFFAOYSA-N 1 2 361.453 2.550 20 30 FFEDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cccc(C#CCO)c1 ZINC001542210920 1071190849 /nfs/dbraw/zinc/19/08/49/1071190849.db2.gz DUFCNHYTVDHTAI-UHFFFAOYSA-N 1 2 361.401 2.558 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC001340784577 1051132698 /nfs/dbraw/zinc/13/26/98/1051132698.db2.gz SPVAYHRPFHTQTA-GJZGRUSLSA-N 1 2 362.499 2.781 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC001340784577 1051132701 /nfs/dbraw/zinc/13/27/01/1051132701.db2.gz SPVAYHRPFHTQTA-GJZGRUSLSA-N 1 2 362.499 2.781 20 30 FFEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001303974866 1051489393 /nfs/dbraw/zinc/48/93/93/1051489393.db2.gz OHZZUPKYPWENKL-GFCCVEGCSA-N 1 2 356.854 2.624 20 30 FFEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001303974866 1051489397 /nfs/dbraw/zinc/48/93/97/1051489397.db2.gz OHZZUPKYPWENKL-GFCCVEGCSA-N 1 2 356.854 2.624 20 30 FFEDLO C#CC1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC(C)C)CC1 ZINC001342922825 1051533745 /nfs/dbraw/zinc/53/37/45/1051533745.db2.gz WTSQPMAGJZSQAJ-UHFFFAOYSA-N 1 2 368.529 2.877 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)CC(F)(F)F ZINC001342999650 1051616132 /nfs/dbraw/zinc/61/61/32/1051616132.db2.gz OCKDFPHVOIZTJX-KGLIPLIRSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)CC(F)(F)F ZINC001342999650 1051616136 /nfs/dbraw/zinc/61/61/36/1051616136.db2.gz OCKDFPHVOIZTJX-KGLIPLIRSA-N 1 2 373.423 2.779 20 30 FFEDLO C#CCN(CC)c1nnc([C@@H](C)[N@H+](C)Cc2ccccc2)n1CCOC ZINC001343104947 1051722488 /nfs/dbraw/zinc/72/24/88/1051722488.db2.gz PRIAZSZUBOWBKG-QGZVFWFLSA-N 1 2 355.486 2.577 20 30 FFEDLO C#CCN(CC)c1nnc([C@@H](C)[N@@H+](C)Cc2ccccc2)n1CCOC ZINC001343104947 1051722500 /nfs/dbraw/zinc/72/25/00/1051722500.db2.gz PRIAZSZUBOWBKG-QGZVFWFLSA-N 1 2 355.486 2.577 20 30 FFEDLO CCN(CC1CCC1)c1nnc(C2CC[NH+](CCC#N)CC2)n1CCOC ZINC001343104950 1051722939 /nfs/dbraw/zinc/72/29/39/1051722939.db2.gz PVAGFOGHNXWEPJ-UHFFFAOYSA-N 1 2 374.533 2.644 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)C[C@@H](C)C#N ZINC001343460750 1052245637 /nfs/dbraw/zinc/24/56/37/1052245637.db2.gz YXYTYZIRSCAITE-INIZCTEOSA-N 1 2 355.490 2.543 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@@H]3CC[C@H](C(F)(F)F)O3)CC2)c(F)c1 ZINC001307449832 1052308416 /nfs/dbraw/zinc/30/84/16/1052308416.db2.gz NMXQIQNNCYFVRD-XJKSGUPXSA-N 1 2 357.351 2.929 20 30 FFEDLO COC(=O)c1cnc([C@H]2CC[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)s1 ZINC001308127290 1052412600 /nfs/dbraw/zinc/41/26/00/1052412600.db2.gz WITVWJHTRGKMQV-LBPRGKRZSA-N 1 2 372.406 2.699 20 30 FFEDLO COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)s1 ZINC001308127290 1052412604 /nfs/dbraw/zinc/41/26/04/1052412604.db2.gz WITVWJHTRGKMQV-LBPRGKRZSA-N 1 2 372.406 2.699 20 30 FFEDLO COC(=O)c1cnc([C@@H]2CC[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)s1 ZINC001308127289 1052412972 /nfs/dbraw/zinc/41/29/72/1052412972.db2.gz WITVWJHTRGKMQV-GFCCVEGCSA-N 1 2 372.406 2.699 20 30 FFEDLO COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)s1 ZINC001308127289 1052412974 /nfs/dbraw/zinc/41/29/74/1052412974.db2.gz WITVWJHTRGKMQV-GFCCVEGCSA-N 1 2 372.406 2.699 20 30 FFEDLO C=CC1(CC(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C)CCCCC1 ZINC001345480912 1052466696 /nfs/dbraw/zinc/46/66/96/1052466696.db2.gz OSBNAUPJNSGFDD-WBVHZDCISA-N 1 2 358.486 2.584 20 30 FFEDLO O=C(/C=C/c1cccnc1)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001345547663 1052502543 /nfs/dbraw/zinc/50/25/43/1052502543.db2.gz OMYLEKKVAIBKJA-AATRIKPKSA-N 1 2 368.458 2.583 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCSC[C@H]1C ZINC001343957942 1052511311 /nfs/dbraw/zinc/51/13/11/1052511311.db2.gz SUUDGNCIOVDPKB-CVEARBPZSA-N 1 2 365.547 2.578 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCSC[C@H]1C ZINC001343957942 1052511313 /nfs/dbraw/zinc/51/13/13/1052511313.db2.gz SUUDGNCIOVDPKB-CVEARBPZSA-N 1 2 365.547 2.578 20 30 FFEDLO C=CCOCc1nnc(N2CCc3cc[nH+]c(N(C)C)c3C2)n1CC(=C)C ZINC001346505839 1053056363 /nfs/dbraw/zinc/05/63/63/1053056363.db2.gz SFDKTUQTPKSUHF-UHFFFAOYSA-N 1 2 368.485 2.581 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1nnc(C)s1 ZINC001346627324 1053166275 /nfs/dbraw/zinc/16/62/75/1053166275.db2.gz LDYAQUDDTKYIPO-CQSZACIVSA-N 1 2 361.519 2.807 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)Cc1nnc(C)s1 ZINC001346627324 1053166279 /nfs/dbraw/zinc/16/62/79/1053166279.db2.gz LDYAQUDDTKYIPO-CQSZACIVSA-N 1 2 361.519 2.807 20 30 FFEDLO CC(C)C[C@H](c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CC1)n1cc[nH+]c1 ZINC001346851008 1053377061 /nfs/dbraw/zinc/37/70/61/1053377061.db2.gz PJVUWXCGXSPNLT-VQIMIIECSA-N 1 2 371.464 2.962 20 30 FFEDLO C=CCCCC(=O)NC[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001348112662 1054661673 /nfs/dbraw/zinc/66/16/73/1054661673.db2.gz HYDGTWBURJUUPZ-WCLQXYBISA-N 1 2 370.497 2.614 20 30 FFEDLO C=CCCCC(=O)NC[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001348112662 1054661681 /nfs/dbraw/zinc/66/16/81/1054661681.db2.gz HYDGTWBURJUUPZ-WCLQXYBISA-N 1 2 370.497 2.614 20 30 FFEDLO COc1cccc([C@H]2CN(C(=O)[C@]3(C#N)CC4CCC3CC4)CC[NH2+]2)c1 ZINC001337376272 1054702344 /nfs/dbraw/zinc/70/23/44/1054702344.db2.gz FIZHXNUGPDCRFC-XSYIAULNSA-N 1 2 353.466 2.888 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](CC)OCC)n2Cc2cccs2)CC1 ZINC001348460143 1054710311 /nfs/dbraw/zinc/71/03/11/1054710311.db2.gz GGHGZLPZJOUFMN-QGZVFWFLSA-N 1 2 373.526 2.631 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@@H]1c1cccc(C)c1 ZINC001351606062 1054917866 /nfs/dbraw/zinc/91/78/66/1054917866.db2.gz VTRCSXOCDQANMU-OTWHNJEPSA-N 1 2 367.497 2.852 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H]1c1cccc(C)c1 ZINC001351606062 1054917879 /nfs/dbraw/zinc/91/78/79/1054917879.db2.gz VTRCSXOCDQANMU-OTWHNJEPSA-N 1 2 367.497 2.852 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@H]1c1cccc(C)c1 ZINC001351606061 1054918614 /nfs/dbraw/zinc/91/86/14/1054918614.db2.gz VTRCSXOCDQANMU-FHWLQOOXSA-N 1 2 367.497 2.852 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@H]1c1cccc(C)c1 ZINC001351606061 1054918621 /nfs/dbraw/zinc/91/86/21/1054918621.db2.gz VTRCSXOCDQANMU-FHWLQOOXSA-N 1 2 367.497 2.852 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](Cc2nc(N)nc(Nc3ccccc3CC)n2)C1 ZINC001337648477 1054919561 /nfs/dbraw/zinc/91/95/61/1054919561.db2.gz FBWOEBUTSFXKEI-HNNXBMFYSA-N 1 2 354.458 2.537 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](Cc2nc(N)nc(Nc3ccccc3CC)n2)C1 ZINC001337648477 1054919579 /nfs/dbraw/zinc/91/95/79/1054919579.db2.gz FBWOEBUTSFXKEI-HNNXBMFYSA-N 1 2 354.458 2.537 20 30 FFEDLO CN(c1nnc([C@H]2CCC[N@@H+]2C)n1C[C@@H]1CCCCO1)[C@@H]1CCC[C@H]1C#N ZINC001349425691 1055250070 /nfs/dbraw/zinc/25/00/70/1055250070.db2.gz VELOXOZQMUOCEN-WNRNVDISSA-N 1 2 372.517 2.742 20 30 FFEDLO CN(c1nnc([C@H]2CCC[N@H+]2C)n1C[C@@H]1CCCCO1)[C@@H]1CCC[C@H]1C#N ZINC001349425691 1055250081 /nfs/dbraw/zinc/25/00/81/1055250081.db2.gz VELOXOZQMUOCEN-WNRNVDISSA-N 1 2 372.517 2.742 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccccc2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001356133600 1055319197 /nfs/dbraw/zinc/31/91/97/1055319197.db2.gz IFVLCIXKXURQSJ-WRWLIDTKSA-N 1 2 355.486 2.573 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccccc2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001356133600 1055319208 /nfs/dbraw/zinc/31/92/08/1055319208.db2.gz IFVLCIXKXURQSJ-WRWLIDTKSA-N 1 2 355.486 2.573 20 30 FFEDLO C=CCn1c(N2CCC3(CCCCC3)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001356134208 1055321399 /nfs/dbraw/zinc/32/13/99/1055321399.db2.gz LVCJJVVZDQSQHI-FXAWDEMLSA-N 1 2 373.545 2.926 20 30 FFEDLO C=CCn1c(N2CCC3(CCCCC3)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001356134208 1055321413 /nfs/dbraw/zinc/32/14/13/1055321413.db2.gz LVCJJVVZDQSQHI-FXAWDEMLSA-N 1 2 373.545 2.926 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](CC)[N@@H+]2CCO[C@@H](CC)C2)c1 ZINC001543757357 1071540827 /nfs/dbraw/zinc/54/08/27/1071540827.db2.gz SVGARLMITHCZRA-HBFSDRIKSA-N 1 2 373.497 2.873 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](CC)[N@H+]2CCO[C@@H](CC)C2)c1 ZINC001543757357 1071540832 /nfs/dbraw/zinc/54/08/32/1071540832.db2.gz SVGARLMITHCZRA-HBFSDRIKSA-N 1 2 373.497 2.873 20 30 FFEDLO COCCN(CCC#N)c1nnc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1C ZINC001338256406 1055365340 /nfs/dbraw/zinc/36/53/40/1055365340.db2.gz RDTRWQGKSAZPJC-SFHVURJKSA-N 1 2 368.485 2.519 20 30 FFEDLO COCCN(CCC#N)c1nnc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1C ZINC001338256406 1055365355 /nfs/dbraw/zinc/36/53/55/1055365355.db2.gz RDTRWQGKSAZPJC-SFHVURJKSA-N 1 2 368.485 2.519 20 30 FFEDLO CCn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N(C)[C@H](C)CC#N ZINC001356291303 1055438624 /nfs/dbraw/zinc/43/86/24/1055438624.db2.gz QWBDHAMPGZZATB-MRXNPFEDSA-N 1 2 363.469 2.872 20 30 FFEDLO CC(C)SCC(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001350310870 1055717528 /nfs/dbraw/zinc/71/75/28/1055717528.db2.gz BHQJNSYMQGQKAG-UHFFFAOYSA-N 1 2 353.509 2.617 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@]1(C)c1ccccc1 ZINC001338777271 1055805110 /nfs/dbraw/zinc/80/51/10/1055805110.db2.gz ZSTQVGWJZKWBRV-LVCYWYKZSA-N 1 2 367.497 2.717 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@]1(C)c1ccccc1 ZINC001338777271 1055805118 /nfs/dbraw/zinc/80/51/18/1055805118.db2.gz ZSTQVGWJZKWBRV-LVCYWYKZSA-N 1 2 367.497 2.717 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1Cc2ccccc2C1 ZINC001338839947 1055861307 /nfs/dbraw/zinc/86/13/07/1055861307.db2.gz JEPRDJYEYOYUEV-OALUTQOASA-N 1 2 365.481 2.910 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1Cc2ccccc2C1 ZINC001338839947 1055861311 /nfs/dbraw/zinc/86/13/11/1055861311.db2.gz JEPRDJYEYOYUEV-OALUTQOASA-N 1 2 365.481 2.910 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CC[C@H](C)C2(CCCCC2)C1 ZINC001338896063 1055913885 /nfs/dbraw/zinc/91/38/85/1055913885.db2.gz SYDGGJLQKRSCMF-KSZLIROESA-N 1 2 373.545 2.998 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CC[C@H](C)C2(CCCCC2)C1 ZINC001338896063 1055913892 /nfs/dbraw/zinc/91/38/92/1055913892.db2.gz SYDGGJLQKRSCMF-KSZLIROESA-N 1 2 373.545 2.998 20 30 FFEDLO C=CCn1c(-c2coc(C)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001339054447 1056051159 /nfs/dbraw/zinc/05/11/59/1056051159.db2.gz HLALXSRKKJFODN-UHFFFAOYSA-N 1 2 350.426 2.754 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@H](c2nnc(N(C)[C@@H](C)c3cccc(C#N)c3)n2C)C1 ZINC001351229068 1056145444 /nfs/dbraw/zinc/14/54/44/1056145444.db2.gz WBZNWLSBXGFMDB-YJBOKZPZSA-N 1 2 368.485 2.666 20 30 FFEDLO CC(C)[N@H+]1CCO[C@H](c2nnc(N(C)[C@@H](C)c3cccc(C#N)c3)n2C)C1 ZINC001351229068 1056145449 /nfs/dbraw/zinc/14/54/49/1056145449.db2.gz WBZNWLSBXGFMDB-YJBOKZPZSA-N 1 2 368.485 2.666 20 30 FFEDLO Cc1cc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)ncc1C#N ZINC000603118319 1056349662 /nfs/dbraw/zinc/34/96/62/1056349662.db2.gz GSRBGFGGRXCKDP-UHFFFAOYSA-N 1 2 350.426 2.969 20 30 FFEDLO C=CCn1c(COC2CCC2)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001339438367 1056452158 /nfs/dbraw/zinc/45/21/58/1056452158.db2.gz VMNGTNKZRDASCV-UHFFFAOYSA-N 1 2 368.485 2.557 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@H](CCF)C1 ZINC001339485202 1056500684 /nfs/dbraw/zinc/50/06/84/1056500684.db2.gz KWWHUXMGKOFUIP-IRXDYDNUSA-N 1 2 365.497 2.822 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@H](CCF)C1 ZINC001339485202 1056500694 /nfs/dbraw/zinc/50/06/94/1056500694.db2.gz KWWHUXMGKOFUIP-IRXDYDNUSA-N 1 2 365.497 2.822 20 30 FFEDLO C#CCCCn1c(C(C)C)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001358919639 1056600000 /nfs/dbraw/zinc/60/00/00/1056600000.db2.gz GXYYSYBBNKKZCO-UHFFFAOYSA-N 1 2 372.542 2.902 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2CC[C@H]2C[C@H](F)C2)CC1 ZINC001359032984 1056665666 /nfs/dbraw/zinc/66/56/66/1056665666.db2.gz LJTDKPVYXZTAGH-UAPYVXQJSA-N 1 2 367.472 2.839 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC001359034963 1056667129 /nfs/dbraw/zinc/66/71/29/1056667129.db2.gz HSCQCJLZBXZKSE-PKOBYXMFSA-N 1 2 371.529 2.506 20 30 FFEDLO CN(Cc1ccc(C#N)cc1)c1nnc(Cc2[nH+]ccn2C)n1CC1CC1 ZINC001519587321 1058857323 /nfs/dbraw/zinc/85/73/23/1058857323.db2.gz OCOMUUBEAGZTBY-UHFFFAOYSA-N 1 2 361.453 2.520 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001514388646 1058903994 /nfs/dbraw/zinc/90/39/94/1058903994.db2.gz ZOXIMPZUJJNJEF-BRWVUGGUSA-N 1 2 360.502 2.980 20 30 FFEDLO CCOCc1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001503004878 1058921063 /nfs/dbraw/zinc/92/10/63/1058921063.db2.gz RQXLGQXZXPYPRE-CVEARBPZSA-N 1 2 371.489 2.636 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc([C@H]2CCC[N@@H+]2C)n1CCOC ZINC001514678972 1059052438 /nfs/dbraw/zinc/05/24/38/1059052438.db2.gz ATVCHYRWWQXHKI-MRXNPFEDSA-N 1 2 361.515 2.945 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc([C@H]2CCC[N@H+]2C)n1CCOC ZINC001514678972 1059052451 /nfs/dbraw/zinc/05/24/51/1059052451.db2.gz ATVCHYRWWQXHKI-MRXNPFEDSA-N 1 2 361.515 2.945 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCCC[C@H](SC)C1 ZINC001515042107 1059253149 /nfs/dbraw/zinc/25/31/49/1059253149.db2.gz KCWDCRCGNINKOP-HNNXBMFYSA-N 1 2 360.531 2.900 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC(C)(C)C[C@@H]1C ZINC001515556878 1059698963 /nfs/dbraw/zinc/69/89/63/1059698963.db2.gz WZFRDVRMVPPIBO-INIZCTEOSA-N 1 2 361.534 2.683 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CC2(CCOC)CCC2)CC1 ZINC001507722480 1059703462 /nfs/dbraw/zinc/70/34/62/1059703462.db2.gz YMVHEOXAHJNQBD-GOSISDBHSA-N 1 2 373.545 2.754 20 30 FFEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848475831 1060095653 /nfs/dbraw/zinc/09/56/53/1060095653.db2.gz SMJFWBILZSWQLO-LJQANCHMSA-N 1 2 364.405 2.872 20 30 FFEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848475831 1060095675 /nfs/dbraw/zinc/09/56/75/1060095675.db2.gz SMJFWBILZSWQLO-LJQANCHMSA-N 1 2 364.405 2.872 20 30 FFEDLO Cc1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001511769564 1060400567 /nfs/dbraw/zinc/40/05/67/1060400567.db2.gz UWYMCVIBXDLSRQ-CYBMUJFWSA-N 1 2 353.405 2.698 20 30 FFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001521342401 1060544568 /nfs/dbraw/zinc/54/45/68/1060544568.db2.gz HEGVCOXHMQPRCR-DZGCQCFKSA-N 1 2 370.950 2.733 20 30 FFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001521342401 1060544587 /nfs/dbraw/zinc/54/45/87/1060544587.db2.gz HEGVCOXHMQPRCR-DZGCQCFKSA-N 1 2 370.950 2.733 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001355929060 1060736041 /nfs/dbraw/zinc/73/60/41/1060736041.db2.gz HOPIBFJYYBCDGD-HOTGVXAUSA-N 1 2 371.489 2.696 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001355929060 1060736055 /nfs/dbraw/zinc/73/60/55/1060736055.db2.gz HOPIBFJYYBCDGD-HOTGVXAUSA-N 1 2 371.489 2.696 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001355941886 1060745329 /nfs/dbraw/zinc/74/53/29/1060745329.db2.gz NFSQFKQHPCATGI-MRXNPFEDSA-N 1 2 371.489 2.525 20 30 FFEDLO COc1cccc([C@H](C#N)NC(=O)c2ccn3c(C)c[nH+]c3c2)c1OC ZINC001521591075 1060996270 /nfs/dbraw/zinc/99/62/70/1060996270.db2.gz XKLCXTKJYMCOML-HNNXBMFYSA-N 1 2 350.378 2.655 20 30 FFEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001521711875 1061089005 /nfs/dbraw/zinc/08/90/05/1061089005.db2.gz DIVXKZIWXDIGBM-UHFFFAOYSA-N 1 2 357.377 2.656 20 30 FFEDLO C=CCC1(C(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CCCC1 ZINC001523231864 1062407089 /nfs/dbraw/zinc/40/70/89/1062407089.db2.gz PJSVCMRSQWUYNB-IAGOWNOFSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC1(C(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CCCC1 ZINC001523231864 1062407102 /nfs/dbraw/zinc/40/71/02/1062407102.db2.gz PJSVCMRSQWUYNB-IAGOWNOFSA-N 1 2 370.497 2.757 20 30 FFEDLO CC[C@@H]1C[C@H](C)CN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CCOC ZINC001523616917 1062547293 /nfs/dbraw/zinc/54/72/93/1062547293.db2.gz JFECAWNYPAROGG-FUHWJXTLSA-N 1 2 374.533 2.642 20 30 FFEDLO N#Cc1ccc(CS(=O)(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001464356213 1062565769 /nfs/dbraw/zinc/56/57/69/1062565769.db2.gz DRPBRIMSQCGSKE-LJQANCHMSA-N 1 2 366.446 2.616 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2nnc(C)s2)[C@@H]1CC)OCC ZINC001479635271 1062670604 /nfs/dbraw/zinc/67/06/04/1062670604.db2.gz BTOZFRVXILLLCQ-XHSDSOJGSA-N 1 2 366.531 2.687 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2nnc(C)s2)[C@@H]1CC)OCC ZINC001479635271 1062670618 /nfs/dbraw/zinc/67/06/18/1062670618.db2.gz BTOZFRVXILLLCQ-XHSDSOJGSA-N 1 2 366.531 2.687 20 30 FFEDLO N#Cc1ccc(Oc2ccc(NC(=O)/C=C\C[NH+]3CCOCC3)cc2)nc1 ZINC001464541832 1062676166 /nfs/dbraw/zinc/67/61/66/1062676166.db2.gz GASPVTPBYXGMMP-UPHRSURJSA-N 1 2 364.405 2.572 20 30 FFEDLO N#Cc1ccc(NCC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)nc1 ZINC001464560897 1062685360 /nfs/dbraw/zinc/68/53/60/1062685360.db2.gz ZLOHAQOGMKDOBZ-UHFFFAOYSA-N 1 2 352.785 2.843 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C)[nH]4)CC[C@@H]3C2)CCCCC1 ZINC001479674454 1062797384 /nfs/dbraw/zinc/79/73/84/1062797384.db2.gz DJRQUYUERJXNII-MSOLQXFVSA-N 1 2 371.529 2.920 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C)[nH]4)CC[C@@H]3C2)CCCCC1 ZINC001479674454 1062797404 /nfs/dbraw/zinc/79/74/04/1062797404.db2.gz DJRQUYUERJXNII-MSOLQXFVSA-N 1 2 371.529 2.920 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1CC[N@H+](Cc2nc(C(C)(C)C)cs2)[C@@H]1C ZINC001479706853 1062846128 /nfs/dbraw/zinc/84/61/28/1062846128.db2.gz REURAQNEAGKJMN-CABCVRRESA-N 1 2 363.527 2.560 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(C(C)(C)C)cs2)[C@@H]1C ZINC001479706853 1062846141 /nfs/dbraw/zinc/84/61/41/1062846141.db2.gz REURAQNEAGKJMN-CABCVRRESA-N 1 2 363.527 2.560 20 30 FFEDLO C=C(C)[C@@H](CC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1)OCC ZINC001438580519 1063016943 /nfs/dbraw/zinc/01/69/43/1063016943.db2.gz TXTSZFLQSIEVJK-VQTJNVASSA-N 1 2 360.498 2.683 20 30 FFEDLO C=C(C)[C@@H](CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1)OCC ZINC001438580519 1063016958 /nfs/dbraw/zinc/01/69/58/1063016958.db2.gz TXTSZFLQSIEVJK-VQTJNVASSA-N 1 2 360.498 2.683 20 30 FFEDLO C=C(C)[C@@H](CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1)OCC ZINC001438580523 1063017680 /nfs/dbraw/zinc/01/76/80/1063017680.db2.gz TXTSZFLQSIEVJK-WOJBJXKFSA-N 1 2 360.498 2.683 20 30 FFEDLO C=C(C)[C@@H](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1)OCC ZINC001438580523 1063017701 /nfs/dbraw/zinc/01/77/01/1063017701.db2.gz TXTSZFLQSIEVJK-WOJBJXKFSA-N 1 2 360.498 2.683 20 30 FFEDLO N#Cc1ccc(C[N@H+](CCNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C2CC2)c(F)c1 ZINC001493391236 1063149322 /nfs/dbraw/zinc/14/93/22/1063149322.db2.gz WFZJRHUEJFPOPV-XKGZKEIXSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1ccc(C[N@@H+](CCNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C2CC2)c(F)c1 ZINC001493391236 1063149331 /nfs/dbraw/zinc/14/93/31/1063149331.db2.gz WFZJRHUEJFPOPV-XKGZKEIXSA-N 1 2 371.456 2.593 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001465781963 1063212141 /nfs/dbraw/zinc/21/21/41/1063212141.db2.gz LHQWPMSTEPHWJP-ZWKOTPCHSA-N 1 2 373.497 2.624 20 30 FFEDLO C=C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001465781963 1063212151 /nfs/dbraw/zinc/21/21/51/1063212151.db2.gz LHQWPMSTEPHWJP-ZWKOTPCHSA-N 1 2 373.497 2.624 20 30 FFEDLO N#Cc1ccc([C@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccc3O)CCO2)cc1 ZINC001472148326 1064953264 /nfs/dbraw/zinc/95/32/64/1064953264.db2.gz CPDZMNULMANMCI-HXUWFJFHSA-N 1 2 374.400 2.663 20 30 FFEDLO COc1ccc([C@@H]2C[N@H+](C[C@@H](O)CC3(C#N)CCC3)CCO2)cc1OC ZINC001473888470 1065408240 /nfs/dbraw/zinc/40/82/40/1065408240.db2.gz MISJCTICROMMGU-LPHOPBHVSA-N 1 2 360.454 2.522 20 30 FFEDLO COc1ccc([C@@H]2C[N@@H+](C[C@@H](O)CC3(C#N)CCC3)CCO2)cc1OC ZINC001473888470 1065408245 /nfs/dbraw/zinc/40/82/45/1065408245.db2.gz MISJCTICROMMGU-LPHOPBHVSA-N 1 2 360.454 2.522 20 30 FFEDLO C#CCCCCC(=O)N(CCC)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001581704043 1078990346 /nfs/dbraw/zinc/99/03/46/1078990346.db2.gz LMHDIYKSHVIDLH-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO C#CCCCCC(=O)N(CCC)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001581704043 1078990351 /nfs/dbraw/zinc/99/03/51/1078990351.db2.gz LMHDIYKSHVIDLH-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO C#Cc1cccc(CNC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c1 ZINC001583840949 1079272806 /nfs/dbraw/zinc/27/28/06/1079272806.db2.gz JISLGLBBYNHUOP-UHFFFAOYSA-N 1 2 372.428 2.823 20 30 FFEDLO COc1cc[nH+]cc1Cn1c(CC2CC2)nnc1N1CCC(C)(C#N)CC1 ZINC001555123161 1075645120 /nfs/dbraw/zinc/64/51/20/1075645120.db2.gz ALJQFOJAYJXIPQ-UHFFFAOYSA-N 1 2 366.469 2.813 20 30 FFEDLO CCc1ccccc1O[C@H](C)C(=O)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC001559538565 1076170712 /nfs/dbraw/zinc/17/07/12/1076170712.db2.gz BIDNDNGHEPWFQN-QGZVFWFLSA-N 1 2 355.482 2.854 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc([Si](C)(C)C)cc2)n1 ZINC001559804319 1076192781 /nfs/dbraw/zinc/19/27/81/1076192781.db2.gz HDXDGMWBWDTPMQ-UHFFFAOYSA-N 1 2 355.558 2.710 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc([Si](C)(C)C)cc2)n1 ZINC001559804319 1076192783 /nfs/dbraw/zinc/19/27/83/1076192783.db2.gz HDXDGMWBWDTPMQ-UHFFFAOYSA-N 1 2 355.558 2.710 20 30 FFEDLO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001560192463 1076244328 /nfs/dbraw/zinc/24/43/28/1076244328.db2.gz ZYKFVIUWPZUMRI-HXUWFJFHSA-N 1 2 362.445 2.529 20 30 FFEDLO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001560192463 1076244331 /nfs/dbraw/zinc/24/43/31/1076244331.db2.gz ZYKFVIUWPZUMRI-HXUWFJFHSA-N 1 2 362.445 2.529 20 30 FFEDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C#N)c1 ZINC001561264949 1076354462 /nfs/dbraw/zinc/35/44/62/1076354462.db2.gz MYIMHXXRWRSBJS-QGZVFWFLSA-N 1 2 369.490 2.762 20 30 FFEDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C#N)c1 ZINC001561264949 1076354467 /nfs/dbraw/zinc/35/44/67/1076354467.db2.gz MYIMHXXRWRSBJS-QGZVFWFLSA-N 1 2 369.490 2.762 20 30 FFEDLO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)c(C#N)c1 ZINC001561385143 1076370515 /nfs/dbraw/zinc/37/05/15/1076370515.db2.gz JWEJAYKRKFIUEN-PKOBYXMFSA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c(C#N)c1 ZINC001561385143 1076370516 /nfs/dbraw/zinc/37/05/16/1076370516.db2.gz JWEJAYKRKFIUEN-PKOBYXMFSA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1cc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)ncc1C#N ZINC001563136379 1076521673 /nfs/dbraw/zinc/52/16/73/1076521673.db2.gz JEUBUGRCGAATIF-UHFFFAOYSA-N 1 2 350.357 2.908 20 30 FFEDLO N#Cc1cccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1Br ZINC001565594846 1076743492 /nfs/dbraw/zinc/74/34/92/1076743492.db2.gz QFGMZXSCMZPMEM-ZDUSSCGKSA-N 1 2 359.227 2.995 20 30 FFEDLO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2nnc(C3CC3)n2C2CC2)[C@@H]1CC ZINC001566008642 1076842442 /nfs/dbraw/zinc/84/24/42/1076842442.db2.gz LPRHKGHYVZVCLC-DLBZAZTESA-N 1 2 357.502 2.926 20 30 FFEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2nnc(C3CC3)n2C2CC2)[C@@H]1CC ZINC001566008642 1076842451 /nfs/dbraw/zinc/84/24/51/1076842451.db2.gz LPRHKGHYVZVCLC-DLBZAZTESA-N 1 2 357.502 2.926 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(CC)no3)CC[C@@H]2C1 ZINC001566044565 1076873786 /nfs/dbraw/zinc/87/37/86/1076873786.db2.gz LSYNVVPPHZQDHR-SJORKVTESA-N 1 2 358.486 2.681 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(CC)no3)CC[C@@H]2C1 ZINC001566044565 1076873790 /nfs/dbraw/zinc/87/37/90/1076873790.db2.gz LSYNVVPPHZQDHR-SJORKVTESA-N 1 2 358.486 2.681 20 30 FFEDLO C=C1CCC(C(=O)NCCC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001572121355 1077302019 /nfs/dbraw/zinc/30/20/19/1077302019.db2.gz UVLNYPVLEMTEBY-USXIJHARSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C1CCC(C(=O)NCCC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001572121355 1077302024 /nfs/dbraw/zinc/30/20/24/1077302024.db2.gz UVLNYPVLEMTEBY-USXIJHARSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CCCn2cc[nH+]c2)C1 ZINC001573090171 1077529545 /nfs/dbraw/zinc/52/95/45/1077529545.db2.gz JGVQCDOYPSTQDA-IAGOWNOFSA-N 1 2 358.486 2.563 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccc(Cl)cc1 ZINC001588328962 1079985356 /nfs/dbraw/zinc/98/53/56/1079985356.db2.gz UVQGPLHSNBQORE-MRXNPFEDSA-N 1 2 363.812 2.632 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588627581 1080127287 /nfs/dbraw/zinc/12/72/87/1080127287.db2.gz ADFGTYZRQRIUHK-HZPDHXFCSA-N 1 2 368.485 2.644 20 30 FFEDLO C=CC[N@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588627581 1080127290 /nfs/dbraw/zinc/12/72/90/1080127290.db2.gz ADFGTYZRQRIUHK-HZPDHXFCSA-N 1 2 368.485 2.644 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2C[C@@H](C)c2ccc(F)cc2)CC1 ZINC001588836123 1080212837 /nfs/dbraw/zinc/21/28/37/1080212837.db2.gz GGIGSLQIJQIPFZ-MRXNPFEDSA-N 1 2 355.461 2.539 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2Cc2cccc(CSC)c2)CC1 ZINC001588836376 1080213137 /nfs/dbraw/zinc/21/31/37/1080213137.db2.gz IGYMFMCCLGHAIB-UHFFFAOYSA-N 1 2 369.538 2.507 20 30 FFEDLO CC(C)c1nc(-c2nn[nH]n2)c(N=NC2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001589773440 1080729334 /nfs/dbraw/zinc/72/93/34/1080729334.db2.gz CKBVCRWEBFBTIZ-UHFFFAOYSA-N 1 2 366.429 2.652 20 30 FFEDLO CC(C)c1nc(-c2nn[nH]n2)c(N=NC2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001589773440 1080729337 /nfs/dbraw/zinc/72/93/37/1080729337.db2.gz CKBVCRWEBFBTIZ-UHFFFAOYSA-N 1 2 366.429 2.652 20 30 FFEDLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000359871512 210193336 /nfs/dbraw/zinc/19/33/36/210193336.db2.gz JPSUSLCWCWXKPD-KXBFYZLASA-N 1 2 355.463 2.810 20 30 FFEDLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000359871512 210193338 /nfs/dbraw/zinc/19/33/38/210193338.db2.gz JPSUSLCWCWXKPD-KXBFYZLASA-N 1 2 355.463 2.810 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000267685921 251351634 /nfs/dbraw/zinc/35/16/34/251351634.db2.gz HAZKLFTVWUYTHB-IRXDYDNUSA-N 1 2 350.509 2.692 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000267685921 251351639 /nfs/dbraw/zinc/35/16/39/251351639.db2.gz HAZKLFTVWUYTHB-IRXDYDNUSA-N 1 2 350.509 2.692 20 30 FFEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000267739029 251363633 /nfs/dbraw/zinc/36/36/33/251363633.db2.gz CCYWRJYFWHQTKC-SFHVURJKSA-N 1 2 366.465 2.684 20 30 FFEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000267739029 251363640 /nfs/dbraw/zinc/36/36/40/251363640.db2.gz CCYWRJYFWHQTKC-SFHVURJKSA-N 1 2 366.465 2.684 20 30 FFEDLO CC1(C)C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@H]1O ZINC000275487408 256014266 /nfs/dbraw/zinc/01/42/66/256014266.db2.gz PAMQHQNXZVSSGC-MRXNPFEDSA-N 1 2 361.511 2.920 20 30 FFEDLO CC1(C)C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@H]1O ZINC000275487408 256014268 /nfs/dbraw/zinc/01/42/68/256014268.db2.gz PAMQHQNXZVSSGC-MRXNPFEDSA-N 1 2 361.511 2.920 20 30 FFEDLO CCn1nccc1C1CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000278980209 256368559 /nfs/dbraw/zinc/36/85/59/256368559.db2.gz YYEQSFJMPOMUHZ-UHFFFAOYSA-N 1 2 355.442 2.803 20 30 FFEDLO Cc1nsc(Nc2ccc(N3CCN(C(=O)C4CC4)CC3)[nH+]c2)c1C#N ZINC000288209195 257160408 /nfs/dbraw/zinc/16/04/08/257160408.db2.gz UIIHNPMLQDIDAM-UHFFFAOYSA-N 1 2 368.466 2.520 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1C#N ZINC000289425019 257280370 /nfs/dbraw/zinc/28/03/70/257280370.db2.gz IHYQNMKJWLCQNO-UHFFFAOYSA-N 1 2 353.451 2.526 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)C1=O ZINC000289744620 257296785 /nfs/dbraw/zinc/29/67/85/257296785.db2.gz FAZBWLSQQWUGAH-ZIAGYGMSSA-N 1 2 361.858 2.522 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)C1=O ZINC000289744620 257296786 /nfs/dbraw/zinc/29/67/86/257296786.db2.gz FAZBWLSQQWUGAH-ZIAGYGMSSA-N 1 2 361.858 2.522 20 30 FFEDLO Cc1ccc2ncc(C#N)c(NCC(C)(C)[NH+]3CCS(=O)CC3)c2c1 ZINC000291966604 257444085 /nfs/dbraw/zinc/44/40/85/257444085.db2.gz OOVNWJDLABVMBT-UHFFFAOYSA-N 1 2 356.495 2.670 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000292367316 257487934 /nfs/dbraw/zinc/48/79/34/257487934.db2.gz QQNQHMGNZFUDPQ-MRXNPFEDSA-N 1 2 362.430 2.830 20 30 FFEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000301154838 258030295 /nfs/dbraw/zinc/03/02/95/258030295.db2.gz CNXFSXVHIWUUIG-ZDUSSCGKSA-N 1 2 368.403 2.614 20 30 FFEDLO Cc1ccc(-c2noc(C[NH+]3CCN(c4ccc(C)c(C#N)n4)CC3)n2)cc1 ZINC000302701334 258108394 /nfs/dbraw/zinc/10/83/94/258108394.db2.gz IHDRXTWTWLFXJT-UHFFFAOYSA-N 1 2 374.448 2.942 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCO[C@H](C4CCCCC4)C3)C2=O)cc1 ZINC000329691236 258144978 /nfs/dbraw/zinc/14/49/78/258144978.db2.gz WGBWWLCRDGFDHD-UXHICEINSA-N 1 2 353.466 2.945 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCO[C@H](C4CCCCC4)C3)C2=O)cc1 ZINC000329691236 258144979 /nfs/dbraw/zinc/14/49/79/258144979.db2.gz WGBWWLCRDGFDHD-UXHICEINSA-N 1 2 353.466 2.945 20 30 FFEDLO N#Cc1ccc(N2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)cc1Cl ZINC000078610445 132377299 /nfs/dbraw/zinc/37/72/99/132377299.db2.gz DHSIUHVYRLEWCC-SFHVURJKSA-N 1 2 354.841 2.560 20 30 FFEDLO CCN(CCC#N)C(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000053210235 506333983 /nfs/dbraw/zinc/33/39/83/506333983.db2.gz IDQSSGXSLLXNIT-UHFFFAOYSA-N 1 2 366.450 2.670 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(Cl)nc3)CC2)cc1 ZINC000065751894 506357237 /nfs/dbraw/zinc/35/72/37/506357237.db2.gz HWQAAHOVURHNLF-UHFFFAOYSA-N 1 2 355.829 2.956 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc(C#N)c1C ZINC000366805293 512193840 /nfs/dbraw/zinc/19/38/40/512193840.db2.gz ULKGYTJWCBAYDJ-KRWDZBQOSA-N 1 2 365.437 2.775 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000366816266 512198925 /nfs/dbraw/zinc/19/89/25/512198925.db2.gz RLZKOQRDILPJJQ-GFCCVEGCSA-N 1 2 361.352 2.915 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccn(-c3cccc(C#N)c3)n1)CCC2 ZINC000369053687 512204505 /nfs/dbraw/zinc/20/45/05/512204505.db2.gz HTTHKZCRBMOXBC-INIZCTEOSA-N 1 2 360.421 2.556 20 30 FFEDLO COc1ccc(Br)c(C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N)c1 ZINC000429294383 513331431 /nfs/dbraw/zinc/33/14/31/513331431.db2.gz MPOSRZCCQKDNLW-LBPRGKRZSA-N 1 2 368.275 2.650 20 30 FFEDLO COc1ccc(Br)c(C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N)c1 ZINC000429294383 513331436 /nfs/dbraw/zinc/33/14/36/513331436.db2.gz MPOSRZCCQKDNLW-LBPRGKRZSA-N 1 2 368.275 2.650 20 30 FFEDLO N#Cc1cccc(NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000054001802 506475981 /nfs/dbraw/zinc/47/59/81/506475981.db2.gz JJCOVNKUVDFGQI-IBGZPJMESA-N 1 2 350.422 2.753 20 30 FFEDLO CN(Cc1cccs1)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369204737 512281471 /nfs/dbraw/zinc/28/14/71/512281471.db2.gz HFNJZHQWPPQDNU-UHFFFAOYSA-N 1 2 354.479 2.659 20 30 FFEDLO CN(Cc1cn2cc(Cl)ccc2[nH+]1)S(=O)(=O)c1cccc(C#N)c1 ZINC000054233983 506521297 /nfs/dbraw/zinc/52/12/97/506521297.db2.gz ZRNQILWNJYJERU-UHFFFAOYSA-N 1 2 360.826 2.680 20 30 FFEDLO C=CC[N@H+](Cc1ccc(F)c(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000066560250 506553231 /nfs/dbraw/zinc/55/32/31/506553231.db2.gz NHZFZTXOPVPTJC-LBPRGKRZSA-N 1 2 362.264 2.763 20 30 FFEDLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000054390038 506550126 /nfs/dbraw/zinc/55/01/26/506550126.db2.gz TXDVCRPZCSLRGA-AWEZNQCLSA-N 1 2 362.433 2.902 20 30 FFEDLO CC(=O)Nc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000054390038 506550131 /nfs/dbraw/zinc/55/01/31/506550131.db2.gz TXDVCRPZCSLRGA-AWEZNQCLSA-N 1 2 362.433 2.902 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(F)c(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000066560250 506553228 /nfs/dbraw/zinc/55/32/28/506553228.db2.gz NHZFZTXOPVPTJC-LBPRGKRZSA-N 1 2 362.264 2.763 20 30 FFEDLO N#Cc1cccc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000043329889 506733805 /nfs/dbraw/zinc/73/38/05/506733805.db2.gz IAEQZSBFKILMOM-UHFFFAOYSA-N 1 2 350.422 2.787 20 30 FFEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nn1C(C)(C)C ZINC000044817891 506890082 /nfs/dbraw/zinc/89/00/82/506890082.db2.gz SYARHXWHPTXJLT-UHFFFAOYSA-N 1 2 365.481 2.776 20 30 FFEDLO Cc1ccc(-c2noc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)n2)cc1 ZINC000014329191 506984954 /nfs/dbraw/zinc/98/49/54/506984954.db2.gz WDVNDWMOXXXXSU-UHFFFAOYSA-N 1 2 360.421 2.634 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000045845572 507032404 /nfs/dbraw/zinc/03/24/04/507032404.db2.gz OPPDUTQJLZKQLI-UHFFFAOYSA-N 1 2 372.494 2.878 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)Nc3cccc(C#N)c3)c[nH+]2)C[C@@H](C)O1 ZINC000045959710 507052293 /nfs/dbraw/zinc/05/22/93/507052293.db2.gz NJIUBNFNKARIME-HUUCEWRRSA-N 1 2 365.437 2.889 20 30 FFEDLO C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367065214 512320039 /nfs/dbraw/zinc/32/00/39/512320039.db2.gz HNEYFOUFWBNNKM-INIZCTEOSA-N 1 2 366.440 2.783 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000068270820 507168379 /nfs/dbraw/zinc/16/83/79/507168379.db2.gz QSLRJDXVKDFOLU-UHFFFAOYSA-N 1 2 353.397 2.791 20 30 FFEDLO CCc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000057405951 507257289 /nfs/dbraw/zinc/25/72/89/507257289.db2.gz XUJNGZLIWMFXLH-INIZCTEOSA-N 1 2 370.497 2.850 20 30 FFEDLO CCc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000057405951 507257292 /nfs/dbraw/zinc/25/72/92/507257292.db2.gz XUJNGZLIWMFXLH-INIZCTEOSA-N 1 2 370.497 2.850 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)Cc2ccc(C(=O)NC)cc2)c1C ZINC000058071703 507369643 /nfs/dbraw/zinc/36/96/43/507369643.db2.gz HEIJYXDXRZSEGJ-UHFFFAOYSA-N 1 2 353.466 2.965 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)Cc2ccc(C(=O)NC)cc2)c1C ZINC000058071703 507369649 /nfs/dbraw/zinc/36/96/49/507369649.db2.gz HEIJYXDXRZSEGJ-UHFFFAOYSA-N 1 2 353.466 2.965 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000369298391 512340199 /nfs/dbraw/zinc/34/01/99/512340199.db2.gz LQERYNDLZGFMGY-LJQANCHMSA-N 1 2 355.401 2.743 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c(C#N)c1C ZINC000375464072 512343284 /nfs/dbraw/zinc/34/32/84/512343284.db2.gz HMVOZUGGCKAHMA-CYBMUJFWSA-N 1 2 371.466 2.925 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c(C#N)c1C ZINC000375464072 512343287 /nfs/dbraw/zinc/34/32/87/512343287.db2.gz HMVOZUGGCKAHMA-CYBMUJFWSA-N 1 2 371.466 2.925 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](CC(=O)C34CC5CC(CC(C5)C3)C4)CC2)nc1 ZINC000060481558 507550683 /nfs/dbraw/zinc/55/06/83/507550683.db2.gz CQCONFXDASZWDG-UHFFFAOYSA-N 1 2 364.493 2.861 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000060633985 507570263 /nfs/dbraw/zinc/57/02/63/507570263.db2.gz IYNJHQGNJKDGNH-UHFFFAOYSA-N 1 2 359.514 2.667 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000367131786 512353147 /nfs/dbraw/zinc/35/31/47/512353147.db2.gz UVPDYUYVUHEPHO-UHFFFAOYSA-N 1 2 359.433 2.824 20 30 FFEDLO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027648997 507674406 /nfs/dbraw/zinc/67/44/06/507674406.db2.gz AIUIEZLGMQNOIL-IBGZPJMESA-N 1 2 370.474 2.756 20 30 FFEDLO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027648997 507674411 /nfs/dbraw/zinc/67/44/11/507674411.db2.gz AIUIEZLGMQNOIL-IBGZPJMESA-N 1 2 370.474 2.756 20 30 FFEDLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000071013261 507678970 /nfs/dbraw/zinc/67/89/70/507678970.db2.gz PEAUPZVKSKTJSN-IBGZPJMESA-N 1 2 362.449 2.529 20 30 FFEDLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000071013261 507678973 /nfs/dbraw/zinc/67/89/73/507678973.db2.gz PEAUPZVKSKTJSN-IBGZPJMESA-N 1 2 362.449 2.529 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)Cc1ccccc1 ZINC000027776452 507684272 /nfs/dbraw/zinc/68/42/72/507684272.db2.gz LVHLBOLIUMIESI-UHFFFAOYSA-N 1 2 363.417 2.539 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)Cc1ccccc1 ZINC000027776452 507684281 /nfs/dbraw/zinc/68/42/81/507684281.db2.gz LVHLBOLIUMIESI-UHFFFAOYSA-N 1 2 363.417 2.539 20 30 FFEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000062889338 507686713 /nfs/dbraw/zinc/68/67/13/507686713.db2.gz GFGXDQXBUOQOOO-UHFFFAOYSA-N 1 2 350.378 3.000 20 30 FFEDLO C=CC[N@@H+](CC(=O)NCCOc1cccc(F)c1)Cc1cccc(C#N)c1 ZINC000063299854 507713268 /nfs/dbraw/zinc/71/32/68/507713268.db2.gz QBAKKHBIWUXFSJ-UHFFFAOYSA-N 1 2 367.424 2.881 20 30 FFEDLO C=CC[N@H+](CC(=O)NCCOc1cccc(F)c1)Cc1cccc(C#N)c1 ZINC000063299854 507713273 /nfs/dbraw/zinc/71/32/73/507713273.db2.gz QBAKKHBIWUXFSJ-UHFFFAOYSA-N 1 2 367.424 2.881 20 30 FFEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N[C@H](C)c2ccc(Cl)cc2)cs1 ZINC000063456846 507731654 /nfs/dbraw/zinc/73/16/54/507731654.db2.gz WNYJRDAAWNMTHI-SNVBAGLBSA-N 1 2 366.874 2.814 20 30 FFEDLO CC(C)c1ccccc1NC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029444053 507778374 /nfs/dbraw/zinc/77/83/74/507778374.db2.gz NNCTVDOVKHZTRH-UHFFFAOYSA-N 1 2 363.465 2.837 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000029764529 507789495 /nfs/dbraw/zinc/78/94/95/507789495.db2.gz DKOGUEPXTNZLST-MRXNPFEDSA-N 1 2 360.417 2.887 20 30 FFEDLO COC(=O)c1ccc([C@@H](C)[NH+]2CCN(c3cccc(F)c3C#N)CC2)o1 ZINC000029860589 507793810 /nfs/dbraw/zinc/79/38/10/507793810.db2.gz VICCAXDNIHOAPM-CYBMUJFWSA-N 1 2 357.385 2.960 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3C#N)c[nH+]2)CCO1 ZINC000052245280 507804055 /nfs/dbraw/zinc/80/40/55/507804055.db2.gz UQENUHNPIANZLM-CYBMUJFWSA-N 1 2 353.382 2.699 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)o1 ZINC000030973741 507815441 /nfs/dbraw/zinc/81/54/41/507815441.db2.gz ZNELICXPDOVQJG-IAQYHMDHSA-N 1 2 356.264 2.917 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030973741 507815443 /nfs/dbraw/zinc/81/54/43/507815443.db2.gz ZNELICXPDOVQJG-IAQYHMDHSA-N 1 2 356.264 2.917 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000106869957 507824889 /nfs/dbraw/zinc/82/48/89/507824889.db2.gz ZSZVZFPRPMZUGY-INIZCTEOSA-N 1 2 372.469 2.532 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000106869957 507824890 /nfs/dbraw/zinc/82/48/90/507824890.db2.gz ZSZVZFPRPMZUGY-INIZCTEOSA-N 1 2 372.469 2.532 20 30 FFEDLO CCCCOc1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000078507627 507877783 /nfs/dbraw/zinc/87/77/83/507877783.db2.gz BRMGTIUPTWOXTD-UHFFFAOYSA-N 1 2 374.485 2.945 20 30 FFEDLO CC[C@@H](C)Oc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000078510847 507878336 /nfs/dbraw/zinc/87/83/36/507878336.db2.gz ROLKPJFOPTXTJX-QGZVFWFLSA-N 1 2 374.485 2.944 20 30 FFEDLO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000078615967 507889838 /nfs/dbraw/zinc/88/98/38/507889838.db2.gz KJUXEVDUJVJFDQ-WIYYLYMNSA-N 1 2 362.477 2.574 20 30 FFEDLO CC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000108362012 507890186 /nfs/dbraw/zinc/89/01/86/507890186.db2.gz ZTHNMPGTVAJKGR-AWEZNQCLSA-N 1 2 374.510 2.620 20 30 FFEDLO N#Cc1ccc2[nH+]cc(CNc3ccccc3SCCC(N)=O)n2c1 ZINC000092161932 508046628 /nfs/dbraw/zinc/04/66/28/508046628.db2.gz BAYBOHRQLLUSOM-UHFFFAOYSA-N 1 2 351.435 2.786 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)nc1 ZINC000110979818 508062462 /nfs/dbraw/zinc/06/24/62/508062462.db2.gz RALIQMICLUKWFR-CQSZACIVSA-N 1 2 356.376 2.626 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)nc1 ZINC000110979818 508062464 /nfs/dbraw/zinc/06/24/64/508062464.db2.gz RALIQMICLUKWFR-CQSZACIVSA-N 1 2 356.376 2.626 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCOc2ccc(C#N)cc2)c1C ZINC000080469058 508075629 /nfs/dbraw/zinc/07/56/29/508075629.db2.gz JUDKGXUBNKYCMV-UHFFFAOYSA-N 1 2 368.437 2.799 20 30 FFEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1O ZINC000080963075 508117631 /nfs/dbraw/zinc/11/76/31/508117631.db2.gz BSOGVWUXCGRJCI-UHFFFAOYSA-N 1 2 359.813 2.996 20 30 FFEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1O ZINC000080963075 508117632 /nfs/dbraw/zinc/11/76/32/508117632.db2.gz BSOGVWUXCGRJCI-UHFFFAOYSA-N 1 2 359.813 2.996 20 30 FFEDLO COc1ccc([C@H](CO)[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000075742387 508132477 /nfs/dbraw/zinc/13/24/77/508132477.db2.gz QWCYDQHHEPRAOS-SFHVURJKSA-N 1 2 364.405 2.782 20 30 FFEDLO COc1ccc([C@H](CO)[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000075742387 508132478 /nfs/dbraw/zinc/13/24/78/508132478.db2.gz QWCYDQHHEPRAOS-SFHVURJKSA-N 1 2 364.405 2.782 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC000081513281 508183580 /nfs/dbraw/zinc/18/35/80/508183580.db2.gz LPYUEZIKLYYUCM-INIZCTEOSA-N 1 2 358.438 2.961 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC000081513281 508183582 /nfs/dbraw/zinc/18/35/82/508183582.db2.gz LPYUEZIKLYYUCM-INIZCTEOSA-N 1 2 358.438 2.961 20 30 FFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)C2 ZINC000112664123 508207308 /nfs/dbraw/zinc/20/73/08/508207308.db2.gz DTMJQDFBVWSMKZ-CQSZACIVSA-N 1 2 352.438 2.767 20 30 FFEDLO Cc1nc(SCC(=O)NC[C@H](C)Cn2cc[nH+]c2)c(C#N)c(C)c1C ZINC000081801374 508213038 /nfs/dbraw/zinc/21/30/38/508213038.db2.gz NHSQUJOTFOZNBS-LBPRGKRZSA-N 1 2 357.483 2.620 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1csc(-c2ccsc2)n1 ZINC000096981207 508217237 /nfs/dbraw/zinc/21/72/37/508217237.db2.gz GZWAQYVICBZTRK-UHFFFAOYSA-N 1 2 362.524 2.919 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000083170503 508238837 /nfs/dbraw/zinc/23/88/37/508238837.db2.gz SJOUBTYSMFHCFF-HNNXBMFYSA-N 1 2 366.343 2.663 20 30 FFEDLO COc1ccc(CCC(=O)N2CCC[N@H+](C[C@@H](C#N)CCC#N)CC2)cc1 ZINC000101587228 508249631 /nfs/dbraw/zinc/24/96/31/508249631.db2.gz QPNGQZZTIMBCDZ-LJQANCHMSA-N 1 2 368.481 2.606 20 30 FFEDLO COc1ccc(CCC(=O)N2CCC[N@@H+](C[C@@H](C#N)CCC#N)CC2)cc1 ZINC000101587228 508249632 /nfs/dbraw/zinc/24/96/32/508249632.db2.gz QPNGQZZTIMBCDZ-LJQANCHMSA-N 1 2 368.481 2.606 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cccc(C#N)c1 ZINC000076835906 508257089 /nfs/dbraw/zinc/25/70/89/508257089.db2.gz MLONNSBDMNBQIG-GOSISDBHSA-N 1 2 363.461 2.921 20 30 FFEDLO Cc1[nH+]ccn1-c1ccc(NS(=O)(=O)c2cccc(Cl)c2C#N)cn1 ZINC000114054032 508292130 /nfs/dbraw/zinc/29/21/30/508292130.db2.gz SSNZJYDVFBEIIJ-UHFFFAOYSA-N 1 2 373.825 2.902 20 30 FFEDLO COc1ccccc1C[N@H+](CCO)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000103144139 508298813 /nfs/dbraw/zinc/29/88/13/508298813.db2.gz LIEVOVOHAQPVRK-UHFFFAOYSA-N 1 2 373.840 2.653 20 30 FFEDLO COc1ccccc1C[N@@H+](CCO)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000103144139 508298814 /nfs/dbraw/zinc/29/88/14/508298814.db2.gz LIEVOVOHAQPVRK-UHFFFAOYSA-N 1 2 373.840 2.653 20 30 FFEDLO C=C(Cl)CNC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000077790858 508374792 /nfs/dbraw/zinc/37/47/92/508374792.db2.gz JBPVBUVHPRVGJD-HNNXBMFYSA-N 1 2 364.833 2.578 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605842 508379158 /nfs/dbraw/zinc/37/91/58/508379158.db2.gz CRXXODTYFQHODY-ZDUSSCGKSA-N 1 2 350.378 2.852 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605842 508379160 /nfs/dbraw/zinc/37/91/60/508379160.db2.gz CRXXODTYFQHODY-ZDUSSCGKSA-N 1 2 350.378 2.852 20 30 FFEDLO N#Cc1ccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1Cl ZINC000156409885 508416206 /nfs/dbraw/zinc/41/62/06/508416206.db2.gz DPCHUIHRVSCWLT-INIZCTEOSA-N 1 2 362.861 2.930 20 30 FFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cc(F)cc(Br)c2)C(N)=O)cc1 ZINC000115597843 508416384 /nfs/dbraw/zinc/41/63/84/508416384.db2.gz NNGIOADLGSVYLP-OAHLLOKOSA-N 1 2 362.202 2.776 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(Oc3ccccc3)CC2)c1 ZINC000156679850 508461494 /nfs/dbraw/zinc/46/14/94/508461494.db2.gz YOZZOFFCENUIDF-UHFFFAOYSA-N 1 2 370.474 2.875 20 30 FFEDLO COC(=O)C[C@H]1CSCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000157026796 508512142 /nfs/dbraw/zinc/51/21/42/508512142.db2.gz YVTOULFZLKWTLT-AWEZNQCLSA-N 1 2 373.396 2.917 20 30 FFEDLO COC(=O)C[C@H]1CSCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000157026796 508512145 /nfs/dbraw/zinc/51/21/45/508512145.db2.gz YVTOULFZLKWTLT-AWEZNQCLSA-N 1 2 373.396 2.917 20 30 FFEDLO Cc1ccc([C@H](CNC(=O)Cc2ccc(C#N)cc2)[NH+]2CCOCC2)cc1 ZINC000116453689 508516823 /nfs/dbraw/zinc/51/68/23/508516823.db2.gz KNDNFMZUPIMSPX-NRFANRHFSA-N 1 2 363.461 2.599 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000152952158 508534001 /nfs/dbraw/zinc/53/40/01/508534001.db2.gz GRXFHORRBNAQCE-UHFFFAOYSA-N 1 2 354.813 2.559 20 30 FFEDLO C[N@H+](CCN1CCN(c2ccccc2)CC1)Cc1ccc(C#N)cc1F ZINC000157721739 508602823 /nfs/dbraw/zinc/60/28/23/508602823.db2.gz RSSGSVNIUYPFHA-UHFFFAOYSA-N 1 2 352.457 2.951 20 30 FFEDLO C[N@@H+](CCN1CCN(c2ccccc2)CC1)Cc1ccc(C#N)cc1F ZINC000157721739 508602827 /nfs/dbraw/zinc/60/28/27/508602827.db2.gz RSSGSVNIUYPFHA-UHFFFAOYSA-N 1 2 352.457 2.951 20 30 FFEDLO C[C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)Cn1cc[nH+]c1 ZINC000153755077 508641800 /nfs/dbraw/zinc/64/18/00/508641800.db2.gz UAKOLSPHOTWNSZ-OAHLLOKOSA-N 1 2 364.405 2.993 20 30 FFEDLO COc1ccc(C#N)cc1C[NH+]1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000158036300 508648219 /nfs/dbraw/zinc/64/82/19/508648219.db2.gz RXJWWHPUGQDYBQ-UHFFFAOYSA-N 1 2 363.461 2.762 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=O)CN([C@H]2CCO[C@H](C3CC3)C2)C1=[NH2+] ZINC000154216724 508738409 /nfs/dbraw/zinc/73/84/09/508738409.db2.gz RHXYHVFXLWNEBJ-KSSFIOAISA-N 1 2 366.465 2.604 20 30 FFEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000154308445 508757118 /nfs/dbraw/zinc/75/71/18/508757118.db2.gz KIAOLZROQXTWQR-OLZOCXBDSA-N 1 2 363.401 2.690 20 30 FFEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000154308445 508757120 /nfs/dbraw/zinc/75/71/20/508757120.db2.gz KIAOLZROQXTWQR-OLZOCXBDSA-N 1 2 363.401 2.690 20 30 FFEDLO C=CCOc1ccccc1CNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000119430466 508794195 /nfs/dbraw/zinc/79/41/95/508794195.db2.gz CDOMTDSLWXOSOF-UHFFFAOYSA-N 1 2 359.393 2.782 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000140952109 508810159 /nfs/dbraw/zinc/81/01/59/508810159.db2.gz CLNHBPFJYMPXEI-NHYWBVRUSA-N 1 2 355.360 2.520 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000154772229 508853136 /nfs/dbraw/zinc/85/31/36/508853136.db2.gz RUSFKEMUGRMNAP-UHFFFAOYSA-N 1 2 373.888 2.778 20 30 FFEDLO C=CCCS(=O)(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000119742943 508853996 /nfs/dbraw/zinc/85/39/96/508853996.db2.gz ZYLPLFNSMXHYKD-UHFFFAOYSA-N 1 2 357.479 2.640 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159669739 508873532 /nfs/dbraw/zinc/87/35/32/508873532.db2.gz GBKWMGGCYVPPCJ-VGOFRKELSA-N 1 2 367.493 2.891 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159669739 508873534 /nfs/dbraw/zinc/87/35/34/508873534.db2.gz GBKWMGGCYVPPCJ-VGOFRKELSA-N 1 2 367.493 2.891 20 30 FFEDLO C[N@H+](CCS(C)(=O)=O)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000155187670 508943080 /nfs/dbraw/zinc/94/30/80/508943080.db2.gz TZCNQBYUNBZLAF-UHFFFAOYSA-N 1 2 358.463 2.614 20 30 FFEDLO C[N@@H+](CCS(C)(=O)=O)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000155187670 508943082 /nfs/dbraw/zinc/94/30/82/508943082.db2.gz TZCNQBYUNBZLAF-UHFFFAOYSA-N 1 2 358.463 2.614 20 30 FFEDLO CC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H](C)CS(C)(=O)=O ZINC000151303517 508995542 /nfs/dbraw/zinc/99/55/42/508995542.db2.gz HWLDBACXUHRULH-ZDUSSCGKSA-N 1 2 363.401 2.692 20 30 FFEDLO CC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H](C)CS(C)(=O)=O ZINC000151303517 508995544 /nfs/dbraw/zinc/99/55/44/508995544.db2.gz HWLDBACXUHRULH-ZDUSSCGKSA-N 1 2 363.401 2.692 20 30 FFEDLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000121147587 509138681 /nfs/dbraw/zinc/13/86/81/509138681.db2.gz XQOTURJEORGVLS-QUCCMNQESA-N 1 2 354.498 2.660 20 30 FFEDLO Cc1cccc(NC(=O)CN2CC[NH+](CC#Cc3ccccc3)CC2)c1C ZINC000191892974 509234636 /nfs/dbraw/zinc/23/46/36/509234636.db2.gz JYQPGXSXDHYOAZ-UHFFFAOYSA-N 1 2 361.489 2.911 20 30 FFEDLO CS(=O)(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC000191966851 509267443 /nfs/dbraw/zinc/26/74/43/509267443.db2.gz IBMBPBYOYDQYBK-UHFFFAOYSA-N 1 2 359.426 2.627 20 30 FFEDLO CS(=O)(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC000191966851 509267448 /nfs/dbraw/zinc/26/74/48/509267448.db2.gz IBMBPBYOYDQYBK-UHFFFAOYSA-N 1 2 359.426 2.627 20 30 FFEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cc1O ZINC000188862451 509298995 /nfs/dbraw/zinc/29/89/95/509298995.db2.gz WKRGCWKNGUMZHN-UHFFFAOYSA-N 1 2 355.825 2.875 20 30 FFEDLO C=CC[C@H](CO)NC(=O)c1ccccc1OCc1cn2cc(C)ccc2[nH+]1 ZINC000185779644 509351375 /nfs/dbraw/zinc/35/13/75/509351375.db2.gz KTPCHXRVOSQHCR-MRXNPFEDSA-N 1 2 365.433 2.889 20 30 FFEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000192225478 509413372 /nfs/dbraw/zinc/41/33/72/509413372.db2.gz OVEYLGUIMNZJQO-LBPRGKRZSA-N 1 2 358.360 2.623 20 30 FFEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000192225478 509413377 /nfs/dbraw/zinc/41/33/77/509413377.db2.gz OVEYLGUIMNZJQO-LBPRGKRZSA-N 1 2 358.360 2.623 20 30 FFEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000163793750 509423876 /nfs/dbraw/zinc/42/38/76/509423876.db2.gz SODXBCSASONGIX-YWZLYKJASA-N 1 2 365.481 2.963 20 30 FFEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000163793750 509423879 /nfs/dbraw/zinc/42/38/79/509423879.db2.gz SODXBCSASONGIX-YWZLYKJASA-N 1 2 365.481 2.963 20 30 FFEDLO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000248732595 509457760 /nfs/dbraw/zinc/45/77/60/509457760.db2.gz LRCVEMGFVWKENT-XLIONFOSSA-N 1 2 358.438 2.684 20 30 FFEDLO CCOC(=O)[C@@]1(C(C)C)CC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000248732595 509457763 /nfs/dbraw/zinc/45/77/63/509457763.db2.gz LRCVEMGFVWKENT-XLIONFOSSA-N 1 2 358.438 2.684 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@]3(C2)OCc2ccccc23)C1=O ZINC000248771756 509479836 /nfs/dbraw/zinc/47/98/36/509479836.db2.gz VTAASBYCJISXQR-FXAWDEMLSA-N 1 2 365.458 2.856 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@]3(C2)OCc2ccccc23)C1=O ZINC000248771756 509479842 /nfs/dbraw/zinc/47/98/42/509479842.db2.gz VTAASBYCJISXQR-FXAWDEMLSA-N 1 2 365.458 2.856 20 30 FFEDLO COc1ncccc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000176455785 509520591 /nfs/dbraw/zinc/52/05/91/509520591.db2.gz IRKDDQIVJNVTKW-UHFFFAOYSA-N 1 2 365.393 2.532 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(CC(N)=O)CC1 ZINC000264465046 509544406 /nfs/dbraw/zinc/54/44/06/509544406.db2.gz LNLWAHUBDREGSA-AWEZNQCLSA-N 1 2 374.510 2.607 20 30 FFEDLO N#Cc1cccc(NC(=O)C[S@](=O)Cc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000176527985 509564387 /nfs/dbraw/zinc/56/43/87/509564387.db2.gz FLQKIJYXGBKFRZ-RUZDIDTESA-N 1 2 372.837 2.747 20 30 FFEDLO C[C@H](C(=O)NC1CCCC1)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186287001 509623772 /nfs/dbraw/zinc/62/37/72/509623772.db2.gz IESBMQYDLHDEER-DLBZAZTESA-N 1 2 354.498 2.684 20 30 FFEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186287001 509623779 /nfs/dbraw/zinc/62/37/79/509623779.db2.gz IESBMQYDLHDEER-DLBZAZTESA-N 1 2 354.498 2.684 20 30 FFEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000173547368 509649514 /nfs/dbraw/zinc/64/95/14/509649514.db2.gz LLWUIVZWVLJTTL-LJQANCHMSA-N 1 2 356.514 2.891 20 30 FFEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000173547368 509649521 /nfs/dbraw/zinc/64/95/21/509649521.db2.gz LLWUIVZWVLJTTL-LJQANCHMSA-N 1 2 356.514 2.891 20 30 FFEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000189598255 509655256 /nfs/dbraw/zinc/65/52/56/509655256.db2.gz CWQHAPIJETWOIG-UXHICEINSA-N 1 2 350.418 2.724 20 30 FFEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000189598255 509655268 /nfs/dbraw/zinc/65/52/68/509655268.db2.gz CWQHAPIJETWOIG-UXHICEINSA-N 1 2 350.418 2.724 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000186352513 509665840 /nfs/dbraw/zinc/66/58/40/509665840.db2.gz XMFCJSPMQNZGBP-OAHLLOKOSA-N 1 2 364.405 2.985 20 30 FFEDLO C#CCOc1ccc(F)cc1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000173793572 509781381 /nfs/dbraw/zinc/78/13/81/509781381.db2.gz GCCGFEMNLSYBBZ-UHFFFAOYSA-N 1 2 368.412 2.582 20 30 FFEDLO COc1ccc(C[N@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)c(OC)c1 ZINC000176985253 509800636 /nfs/dbraw/zinc/80/06/36/509800636.db2.gz SZZFZTDSXDZESG-INIZCTEOSA-N 1 2 371.462 2.874 20 30 FFEDLO COc1ccc(C[N@@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)c(OC)c1 ZINC000176985253 509800646 /nfs/dbraw/zinc/80/06/46/509800646.db2.gz SZZFZTDSXDZESG-INIZCTEOSA-N 1 2 371.462 2.874 20 30 FFEDLO CC(C)(C)c1nc(CN2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)no1 ZINC000268194740 509808138 /nfs/dbraw/zinc/80/81/38/509808138.db2.gz GMTQBYYLKKHZDQ-UHFFFAOYSA-N 1 2 357.433 2.696 20 30 FFEDLO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000186670343 509840719 /nfs/dbraw/zinc/84/07/19/509840719.db2.gz YSTKEHPBSASIHU-UHFFFAOYSA-N 1 2 355.891 2.505 20 30 FFEDLO CN(C)C(=O)Cc1nc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cs1 ZINC000170929094 509853671 /nfs/dbraw/zinc/85/36/71/509853671.db2.gz LSRVZTIAXKQCAJ-UHFFFAOYSA-N 1 2 354.479 2.810 20 30 FFEDLO CN(C)C(=O)Cc1nc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cs1 ZINC000170929094 509853676 /nfs/dbraw/zinc/85/36/76/509853676.db2.gz LSRVZTIAXKQCAJ-UHFFFAOYSA-N 1 2 354.479 2.810 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000183620137 509890714 /nfs/dbraw/zinc/89/07/14/509890714.db2.gz ZJRCXWHBRGCGRK-SFHVURJKSA-N 1 2 370.497 2.734 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000245404922 509909391 /nfs/dbraw/zinc/90/93/91/509909391.db2.gz RBXZVHBTICTSII-OXQOHEQNSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000245404922 509909399 /nfs/dbraw/zinc/90/93/99/509909399.db2.gz RBXZVHBTICTSII-OXQOHEQNSA-N 1 2 356.397 2.511 20 30 FFEDLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000255953568 509940315 /nfs/dbraw/zinc/94/03/15/509940315.db2.gz AKHOIGXBJUTYJG-RMVXJAJNSA-N 1 2 368.525 2.952 20 30 FFEDLO Cc1nc(N2CCN(Cc3ccc(C#N)cc3Br)CC2)cc[nH+]1 ZINC000183770160 509967554 /nfs/dbraw/zinc/96/75/54/509967554.db2.gz LARKBVJUMUUXLH-UHFFFAOYSA-N 1 2 372.270 2.741 20 30 FFEDLO N#Cc1cc(F)ccc1NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000193600008 509984995 /nfs/dbraw/zinc/98/49/95/509984995.db2.gz IXJWCGKLZYUDAC-MRXNPFEDSA-N 1 2 374.441 2.954 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)cc1 ZINC000268524941 509988162 /nfs/dbraw/zinc/98/81/62/509988162.db2.gz VVXWSQNSOGLQHT-UHFFFAOYSA-N 1 2 367.409 2.582 20 30 FFEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171222960 510017615 /nfs/dbraw/zinc/01/76/15/510017615.db2.gz JJSBDCBIZQRBPR-UHFFFAOYSA-N 1 2 361.486 2.504 20 30 FFEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171222960 510017623 /nfs/dbraw/zinc/01/76/23/510017623.db2.gz JJSBDCBIZQRBPR-UHFFFAOYSA-N 1 2 361.486 2.504 20 30 FFEDLO N#Cc1ccc(F)c(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000174395362 510092938 /nfs/dbraw/zinc/09/29/38/510092938.db2.gz FKZUQXPSVJXKET-UHFFFAOYSA-N 1 2 365.324 2.721 20 30 FFEDLO COCCN(Cc1[nH+]ccn1CC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000171381709 510120028 /nfs/dbraw/zinc/12/00/28/510120028.db2.gz VQEPDVNBCOHLSO-UHFFFAOYSA-N 1 2 352.360 2.966 20 30 FFEDLO COCC[N@H+](Cc1nccn1CC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000171381709 510120035 /nfs/dbraw/zinc/12/00/35/510120035.db2.gz VQEPDVNBCOHLSO-UHFFFAOYSA-N 1 2 352.360 2.966 20 30 FFEDLO COCC[N@@H+](Cc1nccn1CC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000171381709 510120041 /nfs/dbraw/zinc/12/00/41/510120041.db2.gz VQEPDVNBCOHLSO-UHFFFAOYSA-N 1 2 352.360 2.966 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2ccc(F)c(C#N)c2)c1C ZINC000171424140 510151409 /nfs/dbraw/zinc/15/14/09/510151409.db2.gz ACFOPXIESUSDSB-UHFFFAOYSA-N 1 2 363.414 2.539 20 30 FFEDLO N#Cc1ccc(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)c(Cl)c1 ZINC000269129971 510249717 /nfs/dbraw/zinc/24/97/17/510249717.db2.gz LCXKNWHQZUFHOM-UHFFFAOYSA-N 1 2 355.829 2.956 20 30 FFEDLO C[C@@H]1CCN(C(=O)NCc2ccc(OCC#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000177815947 510268518 /nfs/dbraw/zinc/26/85/18/510268518.db2.gz HDFJKCQNUUNMSV-QAPCUYQASA-N 1 2 353.426 2.578 20 30 FFEDLO N#Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1O ZINC000190775048 510336965 /nfs/dbraw/zinc/33/69/65/510336965.db2.gz NQUKZEUEIARLBM-UHFFFAOYSA-N 1 2 371.387 2.936 20 30 FFEDLO N#Cc1cccnc1-n1cc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cn1 ZINC000184623258 510423480 /nfs/dbraw/zinc/42/34/80/510423480.db2.gz KZWJXNCDTVMGKG-OAHLLOKOSA-N 1 2 362.397 2.621 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000184655206 510442431 /nfs/dbraw/zinc/44/24/31/510442431.db2.gz HJEFXQQEULRRRD-CVEARBPZSA-N 1 2 350.532 2.635 20 30 FFEDLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000266167903 510444017 /nfs/dbraw/zinc/44/40/17/510444017.db2.gz BAMWQSMQMHTSTA-NWDGAFQWSA-N 1 2 373.400 2.965 20 30 FFEDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccccc1Oc1ccccc1C#N ZINC000181604467 510496557 /nfs/dbraw/zinc/49/65/57/510496557.db2.gz FCFBXIFCRFEOGA-UHFFFAOYSA-N 1 2 365.433 2.755 20 30 FFEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCc3sc(C)nc3C)cn2)n1 ZINC000266314399 510511784 /nfs/dbraw/zinc/51/17/84/510511784.db2.gz QGMHISSQGIIYDR-UHFFFAOYSA-N 1 2 356.455 2.795 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000178273619 510521675 /nfs/dbraw/zinc/52/16/75/510521675.db2.gz JNZDAWRQQKJJEX-DOTOQJQBSA-N 1 2 372.431 2.723 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246516835 510533172 /nfs/dbraw/zinc/53/31/72/510533172.db2.gz KQDVMRNAXFSRIB-HZPDHXFCSA-N 1 2 365.836 2.661 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246516835 510533180 /nfs/dbraw/zinc/53/31/80/510533180.db2.gz KQDVMRNAXFSRIB-HZPDHXFCSA-N 1 2 365.836 2.661 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cccnc1 ZINC000191246684 510566547 /nfs/dbraw/zinc/56/65/47/510566547.db2.gz AVDIIBLAAHKPHR-UHFFFAOYSA-N 1 2 358.829 2.694 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cccnc1 ZINC000191246684 510566551 /nfs/dbraw/zinc/56/65/51/510566551.db2.gz AVDIIBLAAHKPHR-UHFFFAOYSA-N 1 2 358.829 2.694 20 30 FFEDLO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ncc(-c2ccccc2)o1 ZINC000184894857 510570134 /nfs/dbraw/zinc/57/01/34/510570134.db2.gz ILXLDXMHMYIYHK-HNNXBMFYSA-N 1 2 351.410 2.648 20 30 FFEDLO C#CCOc1ccccc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000188111164 510598800 /nfs/dbraw/zinc/59/88/00/510598800.db2.gz OBTGRJPUAJTIOL-INIZCTEOSA-N 1 2 352.438 2.919 20 30 FFEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)c1 ZINC000188272725 510681559 /nfs/dbraw/zinc/68/15/59/510681559.db2.gz DMFFMMJGKUUCHT-OAHLLOKOSA-N 1 2 365.433 2.791 20 30 FFEDLO C=CCOc1cccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000175592636 510686685 /nfs/dbraw/zinc/68/66/85/510686685.db2.gz JAEHWDRYCOUFHY-GOSISDBHSA-N 1 2 359.470 2.970 20 30 FFEDLO Cc1nc(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)ccc1C#N ZINC000246808420 510687355 /nfs/dbraw/zinc/68/73/55/510687355.db2.gz KCBZSNOMKGUSOP-GUYCJALGSA-N 1 2 370.478 2.515 20 30 FFEDLO Cc1nc(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)ccc1C#N ZINC000246808420 510687360 /nfs/dbraw/zinc/68/73/60/510687360.db2.gz KCBZSNOMKGUSOP-GUYCJALGSA-N 1 2 370.478 2.515 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000178834931 510796138 /nfs/dbraw/zinc/79/61/38/510796138.db2.gz XWMONUVWVKJHEQ-OCCSQVGLSA-N 1 2 361.442 2.759 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000178834931 510796141 /nfs/dbraw/zinc/79/61/41/510796141.db2.gz XWMONUVWVKJHEQ-OCCSQVGLSA-N 1 2 361.442 2.759 20 30 FFEDLO C[C@H]([NH2+][C@@H](C)c1nnc2ccccn21)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000172616891 510823573 /nfs/dbraw/zinc/82/35/73/510823573.db2.gz VTWKIHPIPVNHQX-RYUDHWBXSA-N 1 2 368.828 2.932 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000247462676 510861728 /nfs/dbraw/zinc/86/17/28/510861728.db2.gz UMYODNYXMXLIIY-RYQLBKOJSA-N 1 2 364.511 2.531 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000247462676 510861729 /nfs/dbraw/zinc/86/17/29/510861729.db2.gz UMYODNYXMXLIIY-RYQLBKOJSA-N 1 2 364.511 2.531 20 30 FFEDLO C[C@]1(O)CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000329914059 510875925 /nfs/dbraw/zinc/87/59/25/510875925.db2.gz OYXPUTRRJUAUPO-KRWDZBQOSA-N 1 2 352.504 2.911 20 30 FFEDLO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329919476 510877538 /nfs/dbraw/zinc/87/75/38/510877538.db2.gz DIAFJCJASFDGBP-SPYBWZPUSA-N 1 2 350.434 2.593 20 30 FFEDLO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329919476 510877546 /nfs/dbraw/zinc/87/75/46/510877546.db2.gz DIAFJCJASFDGBP-SPYBWZPUSA-N 1 2 350.434 2.593 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)NCC1(C)CCC1 ZINC000329932202 510880081 /nfs/dbraw/zinc/88/00/81/510880081.db2.gz IORQIHLIQLWFHK-GJZGRUSLSA-N 1 2 352.454 2.898 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)NCC1(C)CCC1 ZINC000329932202 510880092 /nfs/dbraw/zinc/88/00/92/510880092.db2.gz IORQIHLIQLWFHK-GJZGRUSLSA-N 1 2 352.454 2.898 20 30 FFEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)C[C@H]21 ZINC000329966108 510888640 /nfs/dbraw/zinc/88/86/40/510888640.db2.gz RNKUEYBPGXNNIK-CRAIPNDOSA-N 1 2 373.453 2.679 20 30 FFEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)C[C@H]21 ZINC000329966108 510888646 /nfs/dbraw/zinc/88/86/46/510888646.db2.gz RNKUEYBPGXNNIK-CRAIPNDOSA-N 1 2 373.453 2.679 20 30 FFEDLO CC[C@H](C)n1ncc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1C ZINC000330101421 510917010 /nfs/dbraw/zinc/91/70/10/510917010.db2.gz FMOFXAIZJOEYME-RDJZCZTQSA-N 1 2 363.506 2.895 20 30 FFEDLO Cc1nc(Cl)ccc1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000270593754 510917487 /nfs/dbraw/zinc/91/74/87/510917487.db2.gz JHFIXQNHVJCZAO-UHFFFAOYSA-N 1 2 368.868 2.802 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)NCCc2c(F)cccc2F)C[C@@]2(CCCOC2)O1 ZINC000330122419 510920719 /nfs/dbraw/zinc/92/07/19/510920719.db2.gz KIKZCTQHMJBELR-AUUYWEPGSA-N 1 2 368.424 2.734 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)NCCc2c(F)cccc2F)C[C@@]2(CCCOC2)O1 ZINC000330122419 510920723 /nfs/dbraw/zinc/92/07/23/510920723.db2.gz KIKZCTQHMJBELR-AUUYWEPGSA-N 1 2 368.424 2.734 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330125056 510920767 /nfs/dbraw/zinc/92/07/67/510920767.db2.gz LSLYFDVERRTDCE-DBXWQHBBSA-N 1 2 371.481 2.592 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330125056 510920771 /nfs/dbraw/zinc/92/07/71/510920771.db2.gz LSLYFDVERRTDCE-DBXWQHBBSA-N 1 2 371.481 2.592 20 30 FFEDLO C=CCCN(C)C(=O)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000276402883 510936975 /nfs/dbraw/zinc/93/69/75/510936975.db2.gz KTMGDJHZELOFCD-UHFFFAOYSA-N 1 2 372.494 2.748 20 30 FFEDLO C=CCCN(C)C(=O)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000276402883 510936980 /nfs/dbraw/zinc/93/69/80/510936980.db2.gz KTMGDJHZELOFCD-UHFFFAOYSA-N 1 2 372.494 2.748 20 30 FFEDLO C=CCCN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000276401567 510937167 /nfs/dbraw/zinc/93/71/67/510937167.db2.gz OJPPHTXDAQJQRQ-KRWDZBQOSA-N 1 2 358.442 2.744 20 30 FFEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000330234604 510943598 /nfs/dbraw/zinc/94/35/98/510943598.db2.gz YLIYKIOPSGVGPP-VQIMIIECSA-N 1 2 372.494 2.931 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+]1CCc2cc[nH]c(=O)c2C1)c1cccc(Cl)c1 ZINC000276900742 510949306 /nfs/dbraw/zinc/94/93/06/510949306.db2.gz HSDVMCJQPRDEBC-UHFFFAOYSA-N 1 2 370.840 2.746 20 30 FFEDLO N#CCCN(C(=O)C[N@H+]1CCc2cc[nH]c(=O)c2C1)c1cccc(Cl)c1 ZINC000276900742 510949310 /nfs/dbraw/zinc/94/93/10/510949310.db2.gz HSDVMCJQPRDEBC-UHFFFAOYSA-N 1 2 370.840 2.746 20 30 FFEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)cc1 ZINC000360809895 510952951 /nfs/dbraw/zinc/95/29/51/510952951.db2.gz JZKSINUUMGOAFC-UHFFFAOYSA-N 1 2 363.417 2.797 20 30 FFEDLO CS[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)C1 ZINC000330334816 510967470 /nfs/dbraw/zinc/96/74/70/510967470.db2.gz QZQYEWDGJXJTFN-NHIYQJMISA-N 1 2 352.504 2.818 20 30 FFEDLO Cc1noc([C@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000285599860 510972709 /nfs/dbraw/zinc/97/27/09/510972709.db2.gz JRFONUQEMCVCPD-CQSZACIVSA-N 1 2 371.466 2.966 20 30 FFEDLO Cc1noc([C@H]2CCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000285599860 510972716 /nfs/dbraw/zinc/97/27/16/510972716.db2.gz JRFONUQEMCVCPD-CQSZACIVSA-N 1 2 371.466 2.966 20 30 FFEDLO CCN1CCN(C(=O)Nc2ccc3ccn(C)c3c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330356019 510972990 /nfs/dbraw/zinc/97/29/90/510972990.db2.gz RERVTSABWLFONJ-QGZVFWFLSA-N 1 2 352.442 2.826 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)N(C)CC(F)(F)F)c[nH+]2)C[C@@H](C)O1 ZINC000330384472 510976522 /nfs/dbraw/zinc/97/65/22/510976522.db2.gz ZHXIDOMQYKOCLX-VXGBXAGGSA-N 1 2 360.380 2.603 20 30 FFEDLO C#CCCCCNC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278078408 510980443 /nfs/dbraw/zinc/98/04/43/510980443.db2.gz NTUIOXBMFSJWSM-UHFFFAOYSA-N 1 2 364.449 2.745 20 30 FFEDLO Cn1c(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)nnc1C1CCC1 ZINC000364646002 510990125 /nfs/dbraw/zinc/99/01/25/510990125.db2.gz LUPOGVHXPNVZKB-UHFFFAOYSA-N 1 2 351.454 2.998 20 30 FFEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000330525353 510992619 /nfs/dbraw/zinc/99/26/19/510992619.db2.gz VEUUJPWNKIOHGE-UHFFFAOYSA-N 1 2 351.413 2.722 20 30 FFEDLO CC1(C)COCC[N@H+]1CCNC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000330525353 510992625 /nfs/dbraw/zinc/99/26/25/510992625.db2.gz VEUUJPWNKIOHGE-UHFFFAOYSA-N 1 2 351.413 2.722 20 30 FFEDLO N#CCCn1ccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000278597029 511000735 /nfs/dbraw/zinc/00/07/35/511000735.db2.gz AYQUTICIOJPWJM-UHFFFAOYSA-N 1 2 367.457 2.741 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000330602984 511002111 /nfs/dbraw/zinc/00/21/11/511002111.db2.gz JMQXEIXPRFQTGY-CSODHUTKSA-N 1 2 374.504 2.947 20 30 FFEDLO CNC(=O)C(C)(C)CNC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000330777513 511015608 /nfs/dbraw/zinc/01/56/08/511015608.db2.gz KFTTXJKFRKAUER-CQSZACIVSA-N 1 2 361.490 2.867 20 30 FFEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)C1 ZINC000330804760 511018281 /nfs/dbraw/zinc/01/82/81/511018281.db2.gz LHZSYPACAYMROZ-ZDUSSCGKSA-N 1 2 370.444 2.714 20 30 FFEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)C1 ZINC000330804760 511018286 /nfs/dbraw/zinc/01/82/86/511018286.db2.gz LHZSYPACAYMROZ-ZDUSSCGKSA-N 1 2 370.444 2.714 20 30 FFEDLO COc1ccccc1O[C@H]1CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000286334119 511023452 /nfs/dbraw/zinc/02/34/52/511023452.db2.gz GCLZMJYEGNSWOO-OXJNMPFZSA-N 1 2 359.470 2.593 20 30 FFEDLO COc1ccccc1O[C@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000286334119 511023459 /nfs/dbraw/zinc/02/34/59/511023459.db2.gz GCLZMJYEGNSWOO-OXJNMPFZSA-N 1 2 359.470 2.593 20 30 FFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CC(C)(C)CC#N)[C@H]1c1ccc(Cl)cc1 ZINC000331344954 511062850 /nfs/dbraw/zinc/06/28/50/511062850.db2.gz VBEJAIXHCIXBDD-JKSUJKDBSA-N 1 2 369.918 2.944 20 30 FFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CC(C)(C)CC#N)[C@H]1c1ccc(Cl)cc1 ZINC000331344954 511062853 /nfs/dbraw/zinc/06/28/53/511062853.db2.gz VBEJAIXHCIXBDD-JKSUJKDBSA-N 1 2 369.918 2.944 20 30 FFEDLO CC(=O)Nc1ccc(Cl)c(C(=O)NC(C)(C)C[NH+]2CCOCC2)c1 ZINC000331351625 511064088 /nfs/dbraw/zinc/06/40/88/511064088.db2.gz OHZIQZIGYUCLBG-UHFFFAOYSA-N 1 2 353.850 2.714 20 30 FFEDLO Cn1ccnc1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000271051825 511069836 /nfs/dbraw/zinc/06/98/36/511069836.db2.gz XOXVDPBUMAAXJV-UHFFFAOYSA-N 1 2 357.483 2.693 20 30 FFEDLO Cn1ccnc1C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000271051825 511069841 /nfs/dbraw/zinc/06/98/41/511069841.db2.gz XOXVDPBUMAAXJV-UHFFFAOYSA-N 1 2 357.483 2.693 20 30 FFEDLO COc1cc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2OC)cc(OC)c1 ZINC000271064604 511073736 /nfs/dbraw/zinc/07/37/36/511073736.db2.gz UDZCTSGTUZXZNN-UHFFFAOYSA-N 1 2 369.421 2.655 20 30 FFEDLO COc1cc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2OC)cc(OC)c1 ZINC000271064604 511073737 /nfs/dbraw/zinc/07/37/37/511073737.db2.gz UDZCTSGTUZXZNN-UHFFFAOYSA-N 1 2 369.421 2.655 20 30 FFEDLO Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)nn1CCC#N ZINC000271100004 511082397 /nfs/dbraw/zinc/08/23/97/511082397.db2.gz XTIHHWRLIDLJOK-QGZVFWFLSA-N 1 2 355.417 2.847 20 30 FFEDLO Cc1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)nn1CCC#N ZINC000271100004 511082399 /nfs/dbraw/zinc/08/23/99/511082399.db2.gz XTIHHWRLIDLJOK-QGZVFWFLSA-N 1 2 355.417 2.847 20 30 FFEDLO COc1cc(C[N@H+](C)C[C@H](C)C#N)cc(I)c1OC ZINC000271132600 511092554 /nfs/dbraw/zinc/09/25/54/511092554.db2.gz PJFCWUIDEQARQS-SNVBAGLBSA-N 1 2 374.222 2.900 20 30 FFEDLO COc1cc(C[N@@H+](C)C[C@H](C)C#N)cc(I)c1OC ZINC000271132600 511092557 /nfs/dbraw/zinc/09/25/57/511092557.db2.gz PJFCWUIDEQARQS-SNVBAGLBSA-N 1 2 374.222 2.900 20 30 FFEDLO C=CCC[C@@H](NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000289354944 511099171 /nfs/dbraw/zinc/09/91/71/511099171.db2.gz LXIYYTKJBOBLFC-LJQANCHMSA-N 1 2 366.465 2.870 20 30 FFEDLO C[N@H+](CC(=O)OC(C)(C)C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279489493 511101506 /nfs/dbraw/zinc/10/15/06/511101506.db2.gz XWGIRDBFHVYWDA-UHFFFAOYSA-N 1 2 355.442 2.632 20 30 FFEDLO C[N@@H+](CC(=O)OC(C)(C)C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279489493 511101508 /nfs/dbraw/zinc/10/15/08/511101508.db2.gz XWGIRDBFHVYWDA-UHFFFAOYSA-N 1 2 355.442 2.632 20 30 FFEDLO C=CCOc1ccc(C[N@@H+](CCOC)[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000290379364 511135645 /nfs/dbraw/zinc/13/56/45/511135645.db2.gz HYZYUKPHZFMFDJ-HNNXBMFYSA-N 1 2 373.902 2.540 20 30 FFEDLO C=CCOc1ccc(C[N@H+](CCOC)[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000290379364 511135647 /nfs/dbraw/zinc/13/56/47/511135647.db2.gz HYZYUKPHZFMFDJ-HNNXBMFYSA-N 1 2 373.902 2.540 20 30 FFEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000362339425 511176435 /nfs/dbraw/zinc/17/64/35/511176435.db2.gz GWQXQYOXOUYILH-IBGZPJMESA-N 1 2 354.454 2.751 20 30 FFEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000362339425 511176439 /nfs/dbraw/zinc/17/64/39/511176439.db2.gz GWQXQYOXOUYILH-IBGZPJMESA-N 1 2 354.454 2.751 20 30 FFEDLO COC(=O)c1cc(C[N@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)oc1C ZINC000298111592 511178338 /nfs/dbraw/zinc/17/83/38/511178338.db2.gz YWLJOFXZDOWSNQ-LLVKDONJSA-N 1 2 373.409 2.915 20 30 FFEDLO COC(=O)c1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)oc1C ZINC000298111592 511178342 /nfs/dbraw/zinc/17/83/42/511178342.db2.gz YWLJOFXZDOWSNQ-LLVKDONJSA-N 1 2 373.409 2.915 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(=O)oc3cc(O)c(CC)cc23)n1 ZINC000279694579 511180706 /nfs/dbraw/zinc/18/07/06/511180706.db2.gz ICDAFFCGWCSHSV-UHFFFAOYSA-N 1 2 365.433 2.913 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(=O)oc3cc(O)c(CC)cc23)n1 ZINC000279694579 511180710 /nfs/dbraw/zinc/18/07/10/511180710.db2.gz ICDAFFCGWCSHSV-UHFFFAOYSA-N 1 2 365.433 2.913 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000279708601 511185946 /nfs/dbraw/zinc/18/59/46/511185946.db2.gz KQNNWXGXIILGBV-IBGZPJMESA-N 1 2 359.433 2.552 20 30 FFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC(C)(C)CC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000295049196 511264123 /nfs/dbraw/zinc/26/41/23/511264123.db2.gz AYAXSZSLULRIFS-HZPDHXFCSA-N 1 2 371.453 2.569 20 30 FFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CC(C)(C)CC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000295049196 511264127 /nfs/dbraw/zinc/26/41/27/511264127.db2.gz AYAXSZSLULRIFS-HZPDHXFCSA-N 1 2 371.453 2.569 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000362901044 511266631 /nfs/dbraw/zinc/26/66/31/511266631.db2.gz HZGXHUCXIQPFAF-GJZGRUSLSA-N 1 2 370.453 2.985 20 30 FFEDLO CC(C)(C#N)c1ccc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000280034712 511312330 /nfs/dbraw/zinc/31/23/30/511312330.db2.gz UWJBTGYKSDQSAX-UHFFFAOYSA-N 1 2 364.449 2.649 20 30 FFEDLO CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000283436643 511366279 /nfs/dbraw/zinc/36/62/79/511366279.db2.gz JRCISRZKIVGIIN-UHFFFAOYSA-N 1 2 359.437 2.558 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000298739225 511394522 /nfs/dbraw/zinc/39/45/22/511394522.db2.gz JNDKPNBWQNVBER-CQSZACIVSA-N 1 2 372.469 2.874 20 30 FFEDLO CSc1ccc(C)c(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000272009785 511399478 /nfs/dbraw/zinc/39/94/78/511399478.db2.gz JSOHDMJWDHGUEO-UHFFFAOYSA-N 1 2 362.499 2.797 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1Cl ZINC000295480749 511420239 /nfs/dbraw/zinc/42/02/39/511420239.db2.gz JEWSESLKWBMHIZ-UHFFFAOYSA-N 1 2 370.840 2.715 20 30 FFEDLO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292127062 511475826 /nfs/dbraw/zinc/47/58/26/511475826.db2.gz IJODCXWEAPSVCV-KRWDZBQOSA-N 1 2 350.422 2.607 20 30 FFEDLO CCc1ccccc1NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292127062 511475830 /nfs/dbraw/zinc/47/58/30/511475830.db2.gz IJODCXWEAPSVCV-KRWDZBQOSA-N 1 2 350.422 2.607 20 30 FFEDLO Cc1ccccc1CC[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000295728132 511496788 /nfs/dbraw/zinc/49/67/88/511496788.db2.gz OQGBNGNEUCSZBP-GOSISDBHSA-N 1 2 374.444 2.995 20 30 FFEDLO Cc1ccccc1CC[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000295728132 511496795 /nfs/dbraw/zinc/49/67/95/511496795.db2.gz OQGBNGNEUCSZBP-GOSISDBHSA-N 1 2 374.444 2.995 20 30 FFEDLO Cc1noc([C@H]2CCC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)n1 ZINC000299054189 511497972 /nfs/dbraw/zinc/49/79/72/511497972.db2.gz QYJWCXOMVUJBHP-ZDUSSCGKSA-N 1 2 359.817 2.721 20 30 FFEDLO Cc1noc([C@H]2CCC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)n1 ZINC000299054189 511497979 /nfs/dbraw/zinc/49/79/79/511497979.db2.gz QYJWCXOMVUJBHP-ZDUSSCGKSA-N 1 2 359.817 2.721 20 30 FFEDLO C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292294269 511541829 /nfs/dbraw/zinc/54/18/29/511541829.db2.gz ULBKYEPYQAUBCV-PBHICJAKSA-N 1 2 367.457 2.659 20 30 FFEDLO C[C@H](c1nnnn1C1CCCCC1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292294269 511541838 /nfs/dbraw/zinc/54/18/38/511541838.db2.gz ULBKYEPYQAUBCV-PBHICJAKSA-N 1 2 367.457 2.659 20 30 FFEDLO C=CC[N@@H+](Cc1cc(Cl)c(O)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000283937127 511549555 /nfs/dbraw/zinc/54/95/55/511549555.db2.gz HQYKAJXYKWVQCB-CYBMUJFWSA-N 1 2 359.875 2.619 20 30 FFEDLO C=CC[N@H+](Cc1cc(Cl)c(O)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000283937127 511549560 /nfs/dbraw/zinc/54/95/60/511549560.db2.gz HQYKAJXYKWVQCB-CYBMUJFWSA-N 1 2 359.875 2.619 20 30 FFEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292352204 511563234 /nfs/dbraw/zinc/56/32/34/511563234.db2.gz XNMKCGCGDITDHH-RHSMWYFYSA-N 1 2 371.462 2.571 20 30 FFEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292352204 511563237 /nfs/dbraw/zinc/56/32/37/511563237.db2.gz XNMKCGCGDITDHH-RHSMWYFYSA-N 1 2 371.462 2.571 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1[nH+]cnc2c1c(Br)nn2C ZINC000280725883 511578732 /nfs/dbraw/zinc/57/87/32/511578732.db2.gz JIJDHSYOGUDHTP-KOLCDFICSA-N 1 2 352.236 2.519 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000299340010 511597737 /nfs/dbraw/zinc/59/77/37/511597737.db2.gz NEHFYVUBUIBSKJ-SFHVURJKSA-N 1 2 360.421 2.848 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000299340010 511597740 /nfs/dbraw/zinc/59/77/40/511597740.db2.gz NEHFYVUBUIBSKJ-SFHVURJKSA-N 1 2 360.421 2.848 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000280857872 511630806 /nfs/dbraw/zinc/63/08/06/511630806.db2.gz CINQTKPSWQEIHJ-XCRHUMRWSA-N 1 2 367.440 2.848 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)ccc1OC ZINC000274085777 511715519 /nfs/dbraw/zinc/71/55/19/511715519.db2.gz HVCZZLQECNVJEW-MRXNPFEDSA-N 1 2 353.484 2.659 20 30 FFEDLO C=C(C)COc1cc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)ccc1OC ZINC000274085777 511715525 /nfs/dbraw/zinc/71/55/25/511715525.db2.gz HVCZZLQECNVJEW-MRXNPFEDSA-N 1 2 353.484 2.659 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)C1=O ZINC000281142943 511736023 /nfs/dbraw/zinc/73/60/23/511736023.db2.gz DVVPAJCQAUUEHL-CYBMUJFWSA-N 1 2 368.231 2.576 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)C1=O ZINC000281142943 511736030 /nfs/dbraw/zinc/73/60/30/511736030.db2.gz DVVPAJCQAUUEHL-CYBMUJFWSA-N 1 2 368.231 2.576 20 30 FFEDLO N#Cc1cc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)cnc1C(F)(F)F ZINC000293072817 511828725 /nfs/dbraw/zinc/82/87/25/511828725.db2.gz DBNXGNZMPFISAS-LBPRGKRZSA-N 1 2 365.315 2.558 20 30 FFEDLO N#Cc1cc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)cnc1C(F)(F)F ZINC000293072817 511828731 /nfs/dbraw/zinc/82/87/31/511828731.db2.gz DBNXGNZMPFISAS-LBPRGKRZSA-N 1 2 365.315 2.558 20 30 FFEDLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc(C#N)cc2)o1 ZINC000274495791 511854543 /nfs/dbraw/zinc/85/45/43/511854543.db2.gz RRRNLIQBRXDYQJ-SFHVURJKSA-N 1 2 353.422 2.751 20 30 FFEDLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCc2ccc(C#N)cc2)o1 ZINC000274495791 511854551 /nfs/dbraw/zinc/85/45/51/511854551.db2.gz RRRNLIQBRXDYQJ-SFHVURJKSA-N 1 2 353.422 2.751 20 30 FFEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@H]1CCOC2(CCSCC2)C1 ZINC000328603532 511890369 /nfs/dbraw/zinc/89/03/69/511890369.db2.gz HVTBMGANBGRTOX-GJZGRUSLSA-N 1 2 364.515 2.709 20 30 FFEDLO CC(C)c1nnc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[nH]1 ZINC000293310656 511918330 /nfs/dbraw/zinc/91/83/30/511918330.db2.gz VNIXLFDIQCEEJA-UHFFFAOYSA-N 1 2 352.442 2.650 20 30 FFEDLO CC[C@H](C(=O)NC1(c2noc(C)n2)CCCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000328752478 511926909 /nfs/dbraw/zinc/92/69/09/511926909.db2.gz CXVPBHBLYKZEDG-HUUCEWRRSA-N 1 2 350.463 2.993 20 30 FFEDLO CC[C@H](C(=O)NC1(c2noc(C)n2)CCCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000328752478 511926915 /nfs/dbraw/zinc/92/69/15/511926915.db2.gz CXVPBHBLYKZEDG-HUUCEWRRSA-N 1 2 350.463 2.993 20 30 FFEDLO CC[C@@H](C(=O)NC1(c2noc(C)n2)CCCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000328752476 511927025 /nfs/dbraw/zinc/92/70/25/511927025.db2.gz CXVPBHBLYKZEDG-CABCVRRESA-N 1 2 350.463 2.993 20 30 FFEDLO CC[C@@H](C(=O)NC1(c2noc(C)n2)CCCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000328752476 511927028 /nfs/dbraw/zinc/92/70/28/511927028.db2.gz CXVPBHBLYKZEDG-CABCVRRESA-N 1 2 350.463 2.993 20 30 FFEDLO O=C(Nc1nccn1-c1ccccc1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000328762866 511927877 /nfs/dbraw/zinc/92/78/77/511927877.db2.gz ZOMYSKATUBYJFP-GOSISDBHSA-N 1 2 369.469 2.605 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCOC3CCCC3)CC2)cc1 ZINC000328831154 511937890 /nfs/dbraw/zinc/93/78/90/511937890.db2.gz UTXGGJMHOWLYLO-UHFFFAOYSA-N 1 2 356.470 2.549 20 30 FFEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC000328918429 511950281 /nfs/dbraw/zinc/95/02/81/511950281.db2.gz BGCGJKZSUKCWAZ-HOTGVXAUSA-N 1 2 365.861 2.640 20 30 FFEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC000328918429 511950282 /nfs/dbraw/zinc/95/02/82/511950282.db2.gz BGCGJKZSUKCWAZ-HOTGVXAUSA-N 1 2 365.861 2.640 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000281753906 511955039 /nfs/dbraw/zinc/95/50/39/511955039.db2.gz IDGDWASQWRCTBI-NXHRZFHOSA-N 1 2 372.444 2.929 20 30 FFEDLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)NC12CC3CC(CC(C3)C1)C2 ZINC000328986302 511961692 /nfs/dbraw/zinc/96/16/92/511961692.db2.gz UFOURILOSHLOQM-RPKBAMAFSA-N 1 2 362.514 2.774 20 30 FFEDLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)NC12CC3CC(CC(C3)C1)C2 ZINC000328986302 511961699 /nfs/dbraw/zinc/96/16/99/511961699.db2.gz UFOURILOSHLOQM-RPKBAMAFSA-N 1 2 362.514 2.774 20 30 FFEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3cc(F)ccc3OCC3CC3)C[C@H]21 ZINC000329121220 511987500 /nfs/dbraw/zinc/98/75/00/511987500.db2.gz KKPATNNURFCARE-AEFFLSMTSA-N 1 2 363.433 2.565 20 30 FFEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3cc(F)ccc3OCC3CC3)C[C@H]21 ZINC000329121220 511987509 /nfs/dbraw/zinc/98/75/09/511987509.db2.gz KKPATNNURFCARE-AEFFLSMTSA-N 1 2 363.433 2.565 20 30 FFEDLO CC(=O)N1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2sc(C)nc2C)CC1 ZINC000329138438 511991013 /nfs/dbraw/zinc/99/10/13/511991013.db2.gz DTIHMIBMLYJOBS-LBPRGKRZSA-N 1 2 352.504 2.720 20 30 FFEDLO CC(=O)N1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2sc(C)nc2C)CC1 ZINC000329138438 511991016 /nfs/dbraw/zinc/99/10/16/511991016.db2.gz DTIHMIBMLYJOBS-LBPRGKRZSA-N 1 2 352.504 2.720 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC(C(C)(C)O)C3)n2)C1 ZINC000329168152 511997215 /nfs/dbraw/zinc/99/72/15/511997215.db2.gz IYIRLVZJPLIWBT-GFCCVEGCSA-N 1 2 352.504 2.623 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC(C(C)(C)O)C3)n2)C1 ZINC000329168152 511997219 /nfs/dbraw/zinc/99/72/19/511997219.db2.gz IYIRLVZJPLIWBT-GFCCVEGCSA-N 1 2 352.504 2.623 20 30 FFEDLO O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329175369 511998680 /nfs/dbraw/zinc/99/86/80/511998680.db2.gz MJLDTRLXJJSIJP-GOEBONIOSA-N 1 2 359.474 2.784 20 30 FFEDLO Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000329182767 512000448 /nfs/dbraw/zinc/00/04/48/512000448.db2.gz PDADSEAFHHFYKK-RBUKOAKNSA-N 1 2 373.497 2.585 20 30 FFEDLO Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000329182767 512000454 /nfs/dbraw/zinc/00/04/54/512000454.db2.gz PDADSEAFHHFYKK-RBUKOAKNSA-N 1 2 373.497 2.585 20 30 FFEDLO CC[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329197341 512004135 /nfs/dbraw/zinc/00/41/35/512004135.db2.gz UEXGHCKJNXATKP-JHDROBOHSA-N 1 2 374.485 2.776 20 30 FFEDLO C[C@@H]1CC[C@@H](C)N(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000329244839 512012569 /nfs/dbraw/zinc/01/25/69/512012569.db2.gz UUKFKPPVQUTUJS-NPNMTCQASA-N 1 2 373.501 2.649 20 30 FFEDLO CCC(CC)[C@@H]1C[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)CCO1 ZINC000329256786 512015275 /nfs/dbraw/zinc/01/52/75/512015275.db2.gz DTDXWRWXXGKCCP-AITUJVMLSA-N 1 2 367.534 2.679 20 30 FFEDLO Cc1csc([C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)C2CC2)n1 ZINC000329304255 512024058 /nfs/dbraw/zinc/02/40/58/512024058.db2.gz XUURBJJQAVHSAV-FVQBIDKESA-N 1 2 364.515 2.612 20 30 FFEDLO C[C@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)CC1 ZINC000329315621 512026722 /nfs/dbraw/zinc/02/67/22/512026722.db2.gz HFTIIQKGWNNEQB-ZSZQSSIHSA-N 1 2 373.501 2.651 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3C[C@@H]4CC[C@@H](O)[C@H]4C3)n2)C1 ZINC000329329932 512027690 /nfs/dbraw/zinc/02/76/90/512027690.db2.gz LHBDTNVZJPYFDQ-BFJAYTPKSA-N 1 2 364.515 2.623 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3C[C@@H]4CC[C@@H](O)[C@H]4C3)n2)C1 ZINC000329329932 512027696 /nfs/dbraw/zinc/02/76/96/512027696.db2.gz LHBDTNVZJPYFDQ-BFJAYTPKSA-N 1 2 364.515 2.623 20 30 FFEDLO C[C@@H](O)[C@H]1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000329401102 512039311 /nfs/dbraw/zinc/03/93/11/512039311.db2.gz YABFOMTUDHRCOP-MCIONIFRSA-N 1 2 352.504 2.623 20 30 FFEDLO C[C@@H](O)[C@H]1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000329401102 512039319 /nfs/dbraw/zinc/03/93/19/512039319.db2.gz YABFOMTUDHRCOP-MCIONIFRSA-N 1 2 352.504 2.623 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](Cc2nc3ccccc3c(=O)[nH]2)[C@@H](C)CC)C1=O ZINC000282031607 512052428 /nfs/dbraw/zinc/05/24/28/512052428.db2.gz QDGNUVNTPLNZLW-YOEHRIQHSA-N 1 2 354.454 2.723 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](Cc2nc3ccccc3c(=O)[nH]2)[C@@H](C)CC)C1=O ZINC000282031607 512052432 /nfs/dbraw/zinc/05/24/32/512052432.db2.gz QDGNUVNTPLNZLW-YOEHRIQHSA-N 1 2 354.454 2.723 20 30 FFEDLO O=C(C[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)NC1CCCCC1 ZINC000329485728 512055829 /nfs/dbraw/zinc/05/58/29/512055829.db2.gz XFKNUNLFZLCNNR-KRWDZBQOSA-N 1 2 371.547 2.602 20 30 FFEDLO O=C(C[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)NC1CCCCC1 ZINC000329485728 512055834 /nfs/dbraw/zinc/05/58/34/512055834.db2.gz XFKNUNLFZLCNNR-KRWDZBQOSA-N 1 2 371.547 2.602 20 30 FFEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCO[C@H]2CCC[C@H]21)C1CCOCC1 ZINC000329521832 512063822 /nfs/dbraw/zinc/06/38/22/512063822.db2.gz QXXJMVOBRRQSPN-IXDOHACOSA-N 1 2 362.474 2.538 20 30 FFEDLO O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)C1CC[NH+](CC(F)F)CC1 ZINC000329567898 512071087 /nfs/dbraw/zinc/07/10/87/512071087.db2.gz TYAHPMVEQUDGAE-AWEZNQCLSA-N 1 2 357.445 2.854 20 30 FFEDLO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000329577643 512073306 /nfs/dbraw/zinc/07/33/06/512073306.db2.gz ORPWPVIKCUZVCZ-CUINURIISA-N 1 2 368.474 2.669 20 30 FFEDLO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000329577643 512073309 /nfs/dbraw/zinc/07/33/09/512073309.db2.gz ORPWPVIKCUZVCZ-CUINURIISA-N 1 2 368.474 2.669 20 30 FFEDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)NC[C@H]1CCCCS1 ZINC000329619960 512078607 /nfs/dbraw/zinc/07/86/07/512078607.db2.gz FHMLCVJDCHBGDE-GOSISDBHSA-N 1 2 363.527 2.808 20 30 FFEDLO N#CCN1CCC(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000329663637 512084130 /nfs/dbraw/zinc/08/41/30/512084130.db2.gz PHUFQKAQIXKHTK-LJQANCHMSA-N 1 2 372.538 2.969 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000329736679 512092301 /nfs/dbraw/zinc/09/23/01/512092301.db2.gz LQICICDJJPDBMT-DLBZAZTESA-N 1 2 359.518 2.769 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000329736679 512092305 /nfs/dbraw/zinc/09/23/05/512092305.db2.gz LQICICDJJPDBMT-DLBZAZTESA-N 1 2 359.518 2.769 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[C@@H](n3cccn3)C1)C2 ZINC000329833305 512102903 /nfs/dbraw/zinc/10/29/03/512102903.db2.gz UFABGBYDUBMYIQ-LSDHHAIUSA-N 1 2 356.474 2.553 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)O1 ZINC000329851916 512103790 /nfs/dbraw/zinc/10/37/90/512103790.db2.gz UFIFXUANOGEQKQ-LVYXFOGZSA-N 1 2 359.470 2.705 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)O1 ZINC000329851916 512103792 /nfs/dbraw/zinc/10/37/92/512103792.db2.gz UFIFXUANOGEQKQ-LVYXFOGZSA-N 1 2 359.470 2.705 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375791059 512508823 /nfs/dbraw/zinc/50/88/23/512508823.db2.gz NUAKEEHVGMPPRC-MSOLQXFVSA-N 1 2 361.417 2.567 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375791059 512508826 /nfs/dbraw/zinc/50/88/26/512508826.db2.gz NUAKEEHVGMPPRC-MSOLQXFVSA-N 1 2 361.417 2.567 20 30 FFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000411194996 512515613 /nfs/dbraw/zinc/51/56/13/512515613.db2.gz RTHAYILUDLTDHG-CYBMUJFWSA-N 1 2 362.430 2.596 20 30 FFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000411194996 512515617 /nfs/dbraw/zinc/51/56/17/512515617.db2.gz RTHAYILUDLTDHG-CYBMUJFWSA-N 1 2 362.430 2.596 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1Cl ZINC000373932221 512577499 /nfs/dbraw/zinc/57/74/99/512577499.db2.gz GKLJFMQFMIFCED-CQSZACIVSA-N 1 2 355.829 2.820 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3ccncn3)C2)cc1Cl ZINC000373932221 512577502 /nfs/dbraw/zinc/57/75/02/512577502.db2.gz GKLJFMQFMIFCED-CQSZACIVSA-N 1 2 355.829 2.820 20 30 FFEDLO Cc1cc[nH+]cc1N1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000374066040 512646298 /nfs/dbraw/zinc/64/62/98/512646298.db2.gz GSSJWNSKYBAJCN-UHFFFAOYSA-N 1 2 360.421 2.634 20 30 FFEDLO Cc1cn2c([nH+]1)CN(CC(=O)N(CCC#N)c1cc(C)cc(C)c1)CC2 ZINC000376262613 512738649 /nfs/dbraw/zinc/73/86/49/512738649.db2.gz ACPVLVMMHYYYAJ-UHFFFAOYSA-N 1 2 351.454 2.571 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(c3ccccn3)CC2)C1=O ZINC000372217830 512767025 /nfs/dbraw/zinc/76/70/25/512767025.db2.gz MPVWJHUDOGFNJZ-KRWDZBQOSA-N 1 2 352.463 3.000 20 30 FFEDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)CC2 ZINC000372374963 512840145 /nfs/dbraw/zinc/84/01/45/512840145.db2.gz IUQVHTJEOAJYFA-UHFFFAOYSA-N 1 2 353.422 2.816 20 30 FFEDLO COc1ccc2c(c1)CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)CC2 ZINC000372374963 512840149 /nfs/dbraw/zinc/84/01/49/512840149.db2.gz IUQVHTJEOAJYFA-UHFFFAOYSA-N 1 2 353.422 2.816 20 30 FFEDLO Cn1cc(C#N)cc1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000433707585 513133363 /nfs/dbraw/zinc/13/33/63/513133363.db2.gz CRYPVGHYHNHXRA-UHFFFAOYSA-N 1 2 373.420 2.786 20 30 FFEDLO Cc1nccnc1N1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000440492372 513334760 /nfs/dbraw/zinc/33/47/60/513334760.db2.gz VBNBTCQDQRJESE-UHFFFAOYSA-N 1 2 360.383 2.978 20 30 FFEDLO Cc1cc(NCc2cc[nH+]c(N3CCOCC3)c2)c(C#N)cc1[N+](=O)[O-] ZINC000413034522 513397767 /nfs/dbraw/zinc/39/77/67/513397767.db2.gz BJQGFHOVRDXBOP-UHFFFAOYSA-N 1 2 353.382 2.619 20 30 FFEDLO Cc1cc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3C)CC2)c(C#N)c[nH+]1 ZINC000425236550 513466502 /nfs/dbraw/zinc/46/65/02/513466502.db2.gz QDVMTFQNHRTYBH-QGZVFWFLSA-N 1 2 364.449 2.686 20 30 FFEDLO COc1cc(OC)cc(N2CCCN(c3cc(C)[nH+]cc3C#N)CC2)c1 ZINC000425241418 513469088 /nfs/dbraw/zinc/46/90/88/513469088.db2.gz QHEPIEBHJAUYMQ-UHFFFAOYSA-N 1 2 352.438 2.996 20 30 FFEDLO C=CCn1cc(C[NH2+]Cc2cc(Br)c(O)c(OCC)c2)nn1 ZINC000425349072 513521937 /nfs/dbraw/zinc/52/19/37/513521937.db2.gz FSEQCLWHAYDSPY-UHFFFAOYSA-N 1 2 367.247 2.621 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)CC1(C#N)CCCC1 ZINC000430012520 513527429 /nfs/dbraw/zinc/52/74/29/513527429.db2.gz QUFHMMUCGHPJJC-OAHLLOKOSA-N 1 2 350.488 2.844 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnnn1Cc1ccccc1 ZINC000430064195 513541236 /nfs/dbraw/zinc/54/12/36/513541236.db2.gz CDBQJZHFGASVRW-UHFFFAOYSA-N 1 2 352.438 2.990 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnnn1Cc1ccccc1 ZINC000430064195 513541242 /nfs/dbraw/zinc/54/12/42/513541242.db2.gz CDBQJZHFGASVRW-UHFFFAOYSA-N 1 2 352.438 2.990 20 30 FFEDLO CC(C)(CC#N)CS(=O)(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000451474932 513771668 /nfs/dbraw/zinc/77/16/68/513771668.db2.gz BOESRGIGJQEPEV-UHFFFAOYSA-N 1 2 364.515 2.668 20 30 FFEDLO COc1cc(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)ccc1C#N ZINC000442804907 513784288 /nfs/dbraw/zinc/78/42/88/513784288.db2.gz YHRWNBSQGJXHRH-UHFFFAOYSA-N 1 2 361.449 2.532 20 30 FFEDLO COc1cc(C[NH+]2CCN(C(=O)c3ccc(C)c(F)c3)CC2)ccc1C#N ZINC000442823240 513789168 /nfs/dbraw/zinc/78/91/68/513789168.db2.gz QTNZPEQGCHLHKA-UHFFFAOYSA-N 1 2 367.424 2.972 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC34CCSCC4)CC2)cc1 ZINC000448579263 513792060 /nfs/dbraw/zinc/79/20/60/513792060.db2.gz SFASENJKDDJUON-SFHVURJKSA-N 1 2 355.507 2.736 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@](C)(CC)C2)cc1 ZINC000442878310 513802138 /nfs/dbraw/zinc/80/21/38/513802138.db2.gz FFSRXRRFLQJENC-FQEVSTJZSA-N 1 2 359.470 2.833 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@](C)(CC)C2)cc1 ZINC000442878310 513802141 /nfs/dbraw/zinc/80/21/41/513802141.db2.gz FFSRXRRFLQJENC-FQEVSTJZSA-N 1 2 359.470 2.833 20 30 FFEDLO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)C(=O)Nc1cccc(C#N)c1 ZINC000431085848 513823009 /nfs/dbraw/zinc/82/30/09/513823009.db2.gz LJYLXOYCSWBTAF-GHMZBOCLSA-N 1 2 374.242 2.789 20 30 FFEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000416591277 513852796 /nfs/dbraw/zinc/85/27/96/513852796.db2.gz LGBUKKUTNLHDIO-HNNXBMFYSA-N 1 2 373.453 2.592 20 30 FFEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000416591277 513852802 /nfs/dbraw/zinc/85/28/02/513852802.db2.gz LGBUKKUTNLHDIO-HNNXBMFYSA-N 1 2 373.453 2.592 20 30 FFEDLO C=CCN1C(=O)N(Cc2ccn3cc[nH+]c3c2)C(=O)[C@H]1Cc1ccccc1 ZINC000431263424 513860821 /nfs/dbraw/zinc/86/08/21/513860821.db2.gz KVAQVZYFHPGCBH-GOSISDBHSA-N 1 2 360.417 2.896 20 30 FFEDLO CC1(C)C[N@H+](CCNC(=O)N[C@H](CCCC#N)c2ccccc2)CCO1 ZINC000431294616 513867125 /nfs/dbraw/zinc/86/71/25/513867125.db2.gz ZDZDWUAIVVXGKG-GOSISDBHSA-N 1 2 358.486 2.832 20 30 FFEDLO CC1(C)C[N@@H+](CCNC(=O)N[C@H](CCCC#N)c2ccccc2)CCO1 ZINC000431294616 513867132 /nfs/dbraw/zinc/86/71/32/513867132.db2.gz ZDZDWUAIVVXGKG-GOSISDBHSA-N 1 2 358.486 2.832 20 30 FFEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)CCO2 ZINC000451641472 513881444 /nfs/dbraw/zinc/88/14/44/513881444.db2.gz IDYBQKXMPIYXDO-UHFFFAOYSA-N 1 2 365.433 2.836 20 30 FFEDLO COc1ccc2c(c1)C[N@H+](CC(=O)N(CCC#N)c1ccccc1)CCO2 ZINC000451641472 513881450 /nfs/dbraw/zinc/88/14/50/513881450.db2.gz IDYBQKXMPIYXDO-UHFFFAOYSA-N 1 2 365.433 2.836 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nnc(-c2cccc(Cl)c2)o1 ZINC000414101659 513974601 /nfs/dbraw/zinc/97/46/01/513974601.db2.gz UHAKBJIRFNVWTR-CYBMUJFWSA-N 1 2 352.847 2.688 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nnc(-c2cccc(Cl)c2)o1 ZINC000414101659 513974606 /nfs/dbraw/zinc/97/46/06/513974606.db2.gz UHAKBJIRFNVWTR-CYBMUJFWSA-N 1 2 352.847 2.688 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(C(=O)Nc2ccccc2)c1 ZINC000414144516 513988095 /nfs/dbraw/zinc/98/80/95/513988095.db2.gz ONMXCASYPGKAAP-SFHVURJKSA-N 1 2 353.422 2.524 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(C(=O)Nc2ccccc2)c1 ZINC000414144516 513988099 /nfs/dbraw/zinc/98/80/99/513988099.db2.gz ONMXCASYPGKAAP-SFHVURJKSA-N 1 2 353.422 2.524 20 30 FFEDLO CSc1ccc(OC[C@H](O)C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000414147557 513988382 /nfs/dbraw/zinc/98/83/82/513988382.db2.gz MPQKFVWRIMLTLD-MRXNPFEDSA-N 1 2 370.474 2.783 20 30 FFEDLO Cc1cnc(CCCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000449039738 514045235 /nfs/dbraw/zinc/04/52/35/514045235.db2.gz DQKHVKRRWCKKNB-UHFFFAOYSA-N 1 2 352.438 2.522 20 30 FFEDLO C=C[C@@H](CO)NC(=O)c1ccccc1SCc1cn2ccccc2[nH+]1 ZINC000426856584 514060425 /nfs/dbraw/zinc/06/04/25/514060425.db2.gz CHBLRFQJEXANKU-AWEZNQCLSA-N 1 2 353.447 2.903 20 30 FFEDLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000432305792 514153272 /nfs/dbraw/zinc/15/32/72/514153272.db2.gz DQBPNICCTRLUBR-GOSISDBHSA-N 1 2 366.446 2.833 20 30 FFEDLO Cc1cccc(S(=O)(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1C#N ZINC000432308756 514155046 /nfs/dbraw/zinc/15/50/46/514155046.db2.gz XJWBSOFNDFPADZ-GOSISDBHSA-N 1 2 366.446 3.000 20 30 FFEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000437645563 514201094 /nfs/dbraw/zinc/20/10/94/514201094.db2.gz KDHJDFDWSUBZBN-RTBURBONSA-N 1 2 354.454 2.712 20 30 FFEDLO C=CCC(C)(C)CNC(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000432580065 514232183 /nfs/dbraw/zinc/23/21/83/514232183.db2.gz MRMLHCIHBBOKRG-MRXNPFEDSA-N 1 2 363.506 2.976 20 30 FFEDLO C=CCC(C)(C)CNC(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000432580065 514232191 /nfs/dbraw/zinc/23/21/91/514232191.db2.gz MRMLHCIHBBOKRG-MRXNPFEDSA-N 1 2 363.506 2.976 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1C#N ZINC000437867260 514256625 /nfs/dbraw/zinc/25/66/25/514256625.db2.gz MXJOGZMKEWSVIT-OAHLLOKOSA-N 1 2 374.510 2.908 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1C#N ZINC000437867260 514256629 /nfs/dbraw/zinc/25/66/29/514256629.db2.gz MXJOGZMKEWSVIT-OAHLLOKOSA-N 1 2 374.510 2.908 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1F ZINC000427783649 514313940 /nfs/dbraw/zinc/31/39/40/514313940.db2.gz WBTIDOUCNGHFNA-UHFFFAOYSA-N 1 2 360.345 2.823 20 30 FFEDLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCOc1ccc(C#N)cc1 ZINC000438308658 514352311 /nfs/dbraw/zinc/35/23/11/514352311.db2.gz VYCPMOWRJQMYOJ-GOSISDBHSA-N 1 2 358.825 2.964 20 30 FFEDLO N#Cc1c(F)cccc1C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000428379705 514460962 /nfs/dbraw/zinc/46/09/62/514460962.db2.gz KJJPPPKTOFLFHD-UHFFFAOYSA-N 1 2 373.453 2.640 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cccc(F)c3F)CC2)cc1 ZINC000445646348 514501204 /nfs/dbraw/zinc/50/12/04/514501204.db2.gz FIAMJUPIOWGTSC-UHFFFAOYSA-N 1 2 355.388 2.723 20 30 FFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000455454007 514532520 /nfs/dbraw/zinc/53/25/20/514532520.db2.gz LEKROOGCWMRPQG-AWEZNQCLSA-N 1 2 370.432 2.507 20 30 FFEDLO C=CCCC(=O)NC1CC[NH+]([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000452950800 514571419 /nfs/dbraw/zinc/57/14/19/514571419.db2.gz BGFITKTUURJNMP-OAHLLOKOSA-N 1 2 364.511 2.698 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c(Cl)c1 ZINC000502511935 514678036 /nfs/dbraw/zinc/67/80/36/514678036.db2.gz VGAXZGCCPCEBSD-UHFFFAOYSA-N 1 2 367.902 2.602 20 30 FFEDLO Cc1cn2cc(NC(=O)[C@H]3CCC(=O)N3Cc3cccc(C#N)c3)ccc2[nH+]1 ZINC000475486474 514683586 /nfs/dbraw/zinc/68/35/86/514683586.db2.gz LPAJMTYUEVVZBZ-GOSISDBHSA-N 1 2 373.416 2.644 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2ccnn2C)c1 ZINC000471078818 514745024 /nfs/dbraw/zinc/74/50/24/514745024.db2.gz LXBROLNQFYXPET-QGZVFWFLSA-N 1 2 353.470 2.804 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc2ccnn2C)c1 ZINC000471078818 514745033 /nfs/dbraw/zinc/74/50/33/514745033.db2.gz LXBROLNQFYXPET-QGZVFWFLSA-N 1 2 353.470 2.804 20 30 FFEDLO CC(C)([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C(=O)NCC1CCCC1 ZINC000502765868 514766371 /nfs/dbraw/zinc/76/63/71/514766371.db2.gz MQPLOWBWQYINNG-UHFFFAOYSA-N 1 2 367.453 2.783 20 30 FFEDLO C[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000461886926 514768031 /nfs/dbraw/zinc/76/80/31/514768031.db2.gz CPVVJZXIRTUJDP-LAUBAEHRSA-N 1 2 363.461 2.851 20 30 FFEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000471156744 514775019 /nfs/dbraw/zinc/77/50/19/514775019.db2.gz MDRDURTXRAKUDU-USXQIBFBSA-N 1 2 368.525 2.952 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCc1cccc(C#N)c1 ZINC000466821580 514790724 /nfs/dbraw/zinc/79/07/24/514790724.db2.gz JBJKHVILRRYUSL-UHFFFAOYSA-N 1 2 353.470 2.981 20 30 FFEDLO COc1ccc([C@H](NC(=O)N[C@H]2CCC[C@@H]2C#N)c2[nH+]ccn2C)cc1 ZINC000461970352 514811787 /nfs/dbraw/zinc/81/17/87/514811787.db2.gz YOWPMFFWTGMJBF-PVAVHDDUSA-N 1 2 353.426 2.510 20 30 FFEDLO Cc1cc(C#N)cc(NC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)c1 ZINC000455948166 514857793 /nfs/dbraw/zinc/85/77/93/514857793.db2.gz AUDXLPNFLSGHJV-UHFFFAOYSA-N 1 2 368.437 2.826 20 30 FFEDLO C=CCCN(C)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000455961330 514868826 /nfs/dbraw/zinc/86/88/26/514868826.db2.gz YVTKEPCJKLBSHN-UHFFFAOYSA-N 1 2 369.263 2.721 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)OC[C@H]2CC)cc1 ZINC000508709457 514870881 /nfs/dbraw/zinc/87/08/81/514870881.db2.gz LWCRWCDYEOASKX-IAGOWNOFSA-N 1 2 359.470 2.831 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)OC[C@H]2CC)cc1 ZINC000508709457 514870891 /nfs/dbraw/zinc/87/08/91/514870891.db2.gz LWCRWCDYEOASKX-IAGOWNOFSA-N 1 2 359.470 2.831 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000471642675 514968007 /nfs/dbraw/zinc/96/80/07/514968007.db2.gz MNVBVSQVJVJIMX-GOSISDBHSA-N 1 2 364.474 2.646 20 30 FFEDLO C=C(C)CCNC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000453881368 514981865 /nfs/dbraw/zinc/98/18/65/514981865.db2.gz QLJLMJAGBOLNRI-UHFFFAOYSA-N 1 2 350.422 2.623 20 30 FFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000476283022 514982986 /nfs/dbraw/zinc/98/29/86/514982986.db2.gz AYGHQVOYNZVZMC-FAEJEUNOSA-N 1 2 367.453 2.833 20 30 FFEDLO C[C@@H](C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1)c1cccc(C#N)c1 ZINC000462464911 515064250 /nfs/dbraw/zinc/06/42/50/515064250.db2.gz QBPMECPILFOQFY-KDOFPFPSSA-N 1 2 352.438 2.679 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccnc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000476654724 515143427 /nfs/dbraw/zinc/14/34/27/515143427.db2.gz FPIPUIHPEWKXDE-AEFFLSMTSA-N 1 2 374.366 2.936 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccnc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000476654724 515143433 /nfs/dbraw/zinc/14/34/33/515143433.db2.gz FPIPUIHPEWKXDE-AEFFLSMTSA-N 1 2 374.366 2.936 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458852070 515143954 /nfs/dbraw/zinc/14/39/54/515143954.db2.gz VFZAQLCAWJHSHN-MJGOQNOKSA-N 1 2 358.486 2.784 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000485868413 515227391 /nfs/dbraw/zinc/22/73/91/515227391.db2.gz JVOANPWWJTVIBM-QGZVFWFLSA-N 1 2 372.513 2.785 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000485868413 515227398 /nfs/dbraw/zinc/22/73/98/515227398.db2.gz JVOANPWWJTVIBM-QGZVFWFLSA-N 1 2 372.513 2.785 20 30 FFEDLO C=CC(C)(C)CNC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000458983383 515248006 /nfs/dbraw/zinc/24/80/06/515248006.db2.gz DDTRPLRFXZIRBN-UHFFFAOYSA-N 1 2 361.486 2.613 20 30 FFEDLO Cc1cc(C)c2ncc(C#N)c(N3CC[NH+](Cc4cnn(C)c4)CC3)c2c1 ZINC000462828101 515260795 /nfs/dbraw/zinc/26/07/95/515260795.db2.gz LNZYPAROJQGPOB-UHFFFAOYSA-N 1 2 360.465 2.779 20 30 FFEDLO N#Cc1cccc(NC(=O)CN2CCc3c([nH+]cn3-c3ccccc3)C2)c1 ZINC000481302753 515282614 /nfs/dbraw/zinc/28/26/14/515282614.db2.gz VKESNXWCJWQMRZ-UHFFFAOYSA-N 1 2 357.417 2.741 20 30 FFEDLO N#CC[C@@H]1CC[C@H](NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000454301609 515380312 /nfs/dbraw/zinc/38/03/12/515380312.db2.gz LNRQZKXSEHYJLC-WMZOPIPTSA-N 1 2 351.454 2.855 20 30 FFEDLO C[C@@H](CCC#N)[NH+]1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000472770930 515392302 /nfs/dbraw/zinc/39/23/02/515392302.db2.gz LTFAEHBSXHDHFG-HNNXBMFYSA-N 1 2 371.872 2.700 20 30 FFEDLO C=CCC1(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCCC1 ZINC000454355126 515426826 /nfs/dbraw/zinc/42/68/26/515426826.db2.gz BGFATIVDMLJCDM-IBGZPJMESA-N 1 2 367.559 2.630 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@H](OC)C[C@@H]2CC(=O)OCC)c1C ZINC000481719430 515436986 /nfs/dbraw/zinc/43/69/86/515436986.db2.gz CEXQMXUOLSIGDR-IAGOWNOFSA-N 1 2 362.470 2.516 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](OC)C[C@@H]2CC(=O)OCC)c1C ZINC000481719430 515436992 /nfs/dbraw/zinc/43/69/92/515436992.db2.gz CEXQMXUOLSIGDR-IAGOWNOFSA-N 1 2 362.470 2.516 20 30 FFEDLO C=CCOCCCC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000463467805 515513195 /nfs/dbraw/zinc/51/31/95/515513195.db2.gz ADDPVRNPOAKJSF-UHFFFAOYSA-N 1 2 366.889 2.846 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CC[C@@H](C)Sc3ccccc32)C1=O ZINC000499993564 515550200 /nfs/dbraw/zinc/55/02/00/515550200.db2.gz ANNVSTJUTKVZGW-WBVHZDCISA-N 1 2 373.522 2.623 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CC[C@@H](C)Sc3ccccc32)C1=O ZINC000499993564 515550214 /nfs/dbraw/zinc/55/02/14/515550214.db2.gz ANNVSTJUTKVZGW-WBVHZDCISA-N 1 2 373.522 2.623 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](CC)c2ccc(Cl)cc2)C1=O ZINC000500022923 515561592 /nfs/dbraw/zinc/56/15/92/515561592.db2.gz FVMKFZMRLWJDND-IAGOWNOFSA-N 1 2 363.889 2.626 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](CC)c2ccc(Cl)cc2)C1=O ZINC000500022923 515561603 /nfs/dbraw/zinc/56/16/03/515561603.db2.gz FVMKFZMRLWJDND-IAGOWNOFSA-N 1 2 363.889 2.626 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000505594572 515600049 /nfs/dbraw/zinc/60/00/49/515600049.db2.gz VUZIBUUEEUTQOI-SFHVURJKSA-N 1 2 365.433 2.819 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000459527152 515621535 /nfs/dbraw/zinc/62/15/35/515621535.db2.gz YGUPVVVEWMKOTQ-MJGOQNOKSA-N 1 2 355.369 2.766 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000459527152 515621544 /nfs/dbraw/zinc/62/15/44/515621544.db2.gz YGUPVVVEWMKOTQ-MJGOQNOKSA-N 1 2 355.369 2.766 20 30 FFEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCC(C)(C)C#N)c1 ZINC000510687826 515636453 /nfs/dbraw/zinc/63/64/53/515636453.db2.gz YKMHDVRQUKAXSG-UHFFFAOYSA-N 1 2 367.453 2.955 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000505883045 515709941 /nfs/dbraw/zinc/70/99/41/515709941.db2.gz NINLVUXMBJNMBH-UHFFFAOYSA-N 1 2 352.438 2.521 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000506029454 515754959 /nfs/dbraw/zinc/75/49/59/515754959.db2.gz CFTHBTKFBFFFFM-LBPRGKRZSA-N 1 2 372.860 2.527 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000506029454 515754966 /nfs/dbraw/zinc/75/49/66/515754966.db2.gz CFTHBTKFBFFFFM-LBPRGKRZSA-N 1 2 372.860 2.527 20 30 FFEDLO Cc1cccn2cc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[nH+]c12 ZINC000506333876 515852567 /nfs/dbraw/zinc/85/25/67/515852567.db2.gz ZWPIFQWFNCMRLK-LJQANCHMSA-N 1 2 356.426 2.521 20 30 FFEDLO N#Cc1ccc(CSc2nnc(NC(=O)CCc3[nH]cc[nH+]3)s2)cc1 ZINC000478728863 515944392 /nfs/dbraw/zinc/94/43/92/515944392.db2.gz YPJHZJGREUBGJS-UHFFFAOYSA-N 1 2 370.463 2.996 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H](C)c2nncn2C)c1C#N ZINC000494793311 515964929 /nfs/dbraw/zinc/96/49/29/515964929.db2.gz UOWQBPOXUNELHR-ZDUSSCGKSA-N 1 2 369.473 2.510 20 30 FFEDLO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccccc1C#N ZINC000501189987 516010717 /nfs/dbraw/zinc/01/07/17/516010717.db2.gz YFIKFWSGIJMKDI-IRXDYDNUSA-N 1 2 369.490 2.842 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccccc1C#N ZINC000501189987 516010726 /nfs/dbraw/zinc/01/07/26/516010726.db2.gz YFIKFWSGIJMKDI-IRXDYDNUSA-N 1 2 369.490 2.842 20 30 FFEDLO N#CC[C@H](CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)c1ccccc1 ZINC000474409140 516035019 /nfs/dbraw/zinc/03/50/19/516035019.db2.gz CQVZBEGSBGSEJS-LJQANCHMSA-N 1 2 364.449 2.622 20 30 FFEDLO Cc1nc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)ccc1C#N ZINC000488092099 516114593 /nfs/dbraw/zinc/11/45/93/516114593.db2.gz DNOQBXPHEAXEPP-HKUYNNGSSA-N 1 2 356.857 2.821 20 30 FFEDLO Cc1nc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC000488092099 516114598 /nfs/dbraw/zinc/11/45/98/516114598.db2.gz DNOQBXPHEAXEPP-HKUYNNGSSA-N 1 2 356.857 2.821 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(CC(=O)N3CCCC[C@H]3C)CC2)cc1 ZINC000507246168 516139561 /nfs/dbraw/zinc/13/95/61/516139561.db2.gz HHFJVPZXEYRHCP-LJQANCHMSA-N 1 2 371.525 2.770 20 30 FFEDLO C=CCOc1ccc(CN2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)cc1 ZINC000507246168 516139567 /nfs/dbraw/zinc/13/95/67/516139567.db2.gz HHFJVPZXEYRHCP-LJQANCHMSA-N 1 2 371.525 2.770 20 30 FFEDLO COc1ccc(CN2CCC[N@H+](Cc3ccc(C#N)c(F)c3)CC2=O)cc1 ZINC000483716668 516186779 /nfs/dbraw/zinc/18/67/79/516186779.db2.gz ZHJXTFSCOSRISE-UHFFFAOYSA-N 1 2 367.424 2.940 20 30 FFEDLO COc1ccc(CN2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2=O)cc1 ZINC000483716668 516186791 /nfs/dbraw/zinc/18/67/91/516186791.db2.gz ZHJXTFSCOSRISE-UHFFFAOYSA-N 1 2 367.424 2.940 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(CO)o1 ZINC000512187734 516191019 /nfs/dbraw/zinc/19/10/19/516191019.db2.gz RWBPGYREURBJDS-UHFFFAOYSA-N 1 2 372.421 2.560 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(CO)o1 ZINC000512187734 516191026 /nfs/dbraw/zinc/19/10/26/516191026.db2.gz RWBPGYREURBJDS-UHFFFAOYSA-N 1 2 372.421 2.560 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000512198625 516193759 /nfs/dbraw/zinc/19/37/59/516193759.db2.gz UBTDWJJGRXEREX-INIZCTEOSA-N 1 2 359.470 2.881 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000512198625 516193769 /nfs/dbraw/zinc/19/37/69/516193769.db2.gz UBTDWJJGRXEREX-INIZCTEOSA-N 1 2 359.470 2.881 20 30 FFEDLO CC(C)(CCC#N)CNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000496163250 516240528 /nfs/dbraw/zinc/24/05/28/516240528.db2.gz AURZIZKCRVSYAK-IBGZPJMESA-N 1 2 372.513 2.559 20 30 FFEDLO C=CCC1(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCCCC1 ZINC000457946772 516247347 /nfs/dbraw/zinc/24/73/47/516247347.db2.gz NAMREGPWEHAWHW-LJQANCHMSA-N 1 2 367.559 2.773 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)NCC1(c2ccccc2)CC1)Cc1ccc(CO)o1 ZINC000512434091 516276040 /nfs/dbraw/zinc/27/60/40/516276040.db2.gz SYABKDIJDDAHFG-UHFFFAOYSA-N 1 2 368.477 2.998 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)NCC1(c2ccccc2)CC1)Cc1ccc(CO)o1 ZINC000512434091 516276043 /nfs/dbraw/zinc/27/60/43/516276043.db2.gz SYABKDIJDDAHFG-UHFFFAOYSA-N 1 2 368.477 2.998 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000554244199 516341424 /nfs/dbraw/zinc/34/14/24/516341424.db2.gz UWFIBZOSZZOCDS-IBGZPJMESA-N 1 2 372.432 2.915 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000554244199 516341437 /nfs/dbraw/zinc/34/14/37/516341437.db2.gz UWFIBZOSZZOCDS-IBGZPJMESA-N 1 2 372.432 2.915 20 30 FFEDLO CC[C@@H](C)[N@H+](CC(=O)NCc1ccc(C#N)cc1)CC(=O)OC(C)(C)C ZINC000535406787 516342241 /nfs/dbraw/zinc/34/22/41/516342241.db2.gz KJZQQPHICVAEBV-OAHLLOKOSA-N 1 2 359.470 2.617 20 30 FFEDLO CC[C@@H](C)[N@@H+](CC(=O)NCc1ccc(C#N)cc1)CC(=O)OC(C)(C)C ZINC000535406787 516342252 /nfs/dbraw/zinc/34/22/52/516342252.db2.gz KJZQQPHICVAEBV-OAHLLOKOSA-N 1 2 359.470 2.617 20 30 FFEDLO CCNc1nc(N[C@@H](CCC#N)c2ccccc2)nc(NC(C)(C)C)[nH+]1 ZINC000557644518 516355252 /nfs/dbraw/zinc/35/52/52/516355252.db2.gz QBELJCOBBOQSKX-HNNXBMFYSA-N 1 2 353.474 2.815 20 30 FFEDLO CCNc1nc(NC(C)(C)C)nc(N[C@@H](CCC#N)c2ccccc2)[nH+]1 ZINC000557644518 516355263 /nfs/dbraw/zinc/35/52/63/516355263.db2.gz QBELJCOBBOQSKX-HNNXBMFYSA-N 1 2 353.474 2.815 20 30 FFEDLO CCNc1nc(N[C@@H](CCC#N)c2ccccc2)[nH+]c(NC(C)(C)C)n1 ZINC000557644518 516355272 /nfs/dbraw/zinc/35/52/72/516355272.db2.gz QBELJCOBBOQSKX-HNNXBMFYSA-N 1 2 353.474 2.815 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000550630431 516360251 /nfs/dbraw/zinc/36/02/51/516360251.db2.gz GDHLIBBMAOQNEO-YOEHRIQHSA-N 1 2 372.444 2.626 20 30 FFEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1nc2c(cc1C#N)CCCC2(C)C ZINC000557696864 516390146 /nfs/dbraw/zinc/39/01/46/516390146.db2.gz JMQVXNWZVJSCNF-MAUKXSAKSA-N 1 2 354.498 2.867 20 30 FFEDLO CCC[C@@H](C#N)NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000543747837 516407527 /nfs/dbraw/zinc/40/75/27/516407527.db2.gz OCRCAKANCYTOLK-INIZCTEOSA-N 1 2 352.438 2.965 20 30 FFEDLO N#Cc1ccc(C2(C(=O)N3CC[NH+](Cc4ccsc4)CC3)CC2)cc1 ZINC000547702300 516508168 /nfs/dbraw/zinc/50/81/68/516508168.db2.gz YREPJMVVUZJHAW-UHFFFAOYSA-N 1 2 351.475 2.996 20 30 FFEDLO C=CC[C@@H](CO)CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000540414757 516545642 /nfs/dbraw/zinc/54/56/42/516545642.db2.gz SCGFNSFOSRUTGD-IEBWSBKVSA-N 1 2 356.470 2.725 20 30 FFEDLO Cc1nc(SCC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c(C#N)c(C)c1C ZINC000535903067 516550963 /nfs/dbraw/zinc/55/09/63/516550963.db2.gz JOQNZUYJHGOMSG-HNNXBMFYSA-N 1 2 369.494 2.720 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1)OCC ZINC000535905490 516552796 /nfs/dbraw/zinc/55/27/96/516552796.db2.gz INXLMUMGZROSET-LJQANCHMSA-N 1 2 364.461 2.850 20 30 FFEDLO N#CCc1ccc(C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1 ZINC000544072173 516568286 /nfs/dbraw/zinc/56/82/86/516568286.db2.gz NVAYGJQJKLEXTN-UHFFFAOYSA-N 1 2 367.424 2.615 20 30 FFEDLO C=CCOc1cccc(C[NH+]2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)c1 ZINC000513437429 516622968 /nfs/dbraw/zinc/62/29/68/516622968.db2.gz DBMJYRMRTVSLJE-SFHVURJKSA-N 1 2 371.525 2.816 20 30 FFEDLO C=CCOc1cccc(CN2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)c1 ZINC000513437429 516622973 /nfs/dbraw/zinc/62/29/73/516622973.db2.gz DBMJYRMRTVSLJE-SFHVURJKSA-N 1 2 371.525 2.816 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528732823 516656833 /nfs/dbraw/zinc/65/68/33/516656833.db2.gz FDRDZOJZTRCPDM-UHFFFAOYSA-N 1 2 350.422 2.671 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528732823 516656844 /nfs/dbraw/zinc/65/68/44/516656844.db2.gz FDRDZOJZTRCPDM-UHFFFAOYSA-N 1 2 350.422 2.671 20 30 FFEDLO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C)(C#N)CC3)C2=O)cc1 ZINC000540930345 516779196 /nfs/dbraw/zinc/77/91/96/516779196.db2.gz JQZWTJTYKVNENY-KRWDZBQOSA-N 1 2 355.438 2.733 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OC)cc2Br)C1=O ZINC000561956041 516847109 /nfs/dbraw/zinc/84/71/09/516847109.db2.gz BKIJQGBYKJLDAV-OAHLLOKOSA-N 1 2 353.260 2.676 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(OC)cc2Br)C1=O ZINC000561956041 516847113 /nfs/dbraw/zinc/84/71/13/516847113.db2.gz BKIJQGBYKJLDAV-OAHLLOKOSA-N 1 2 353.260 2.676 20 30 FFEDLO N#Cc1ccccc1OCC[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000514598055 516955144 /nfs/dbraw/zinc/95/51/44/516955144.db2.gz BUUAQNQLWJPDHF-CALCHBBNSA-N 1 2 358.344 2.739 20 30 FFEDLO N#Cc1ccccc1OCC[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000514598055 516955157 /nfs/dbraw/zinc/95/51/57/516955157.db2.gz BUUAQNQLWJPDHF-CALCHBBNSA-N 1 2 358.344 2.739 20 30 FFEDLO Cc1cc(Br)ccc1SCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000558899098 516992985 /nfs/dbraw/zinc/99/29/85/516992985.db2.gz QELAQIVHERMZHZ-HNNXBMFYSA-N 1 2 370.316 2.810 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000558897871 516993391 /nfs/dbraw/zinc/99/33/91/516993391.db2.gz DYBDIUDCXCDDKD-CQSZACIVSA-N 1 2 364.660 2.986 20 30 FFEDLO COCc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1C#N ZINC000529210611 517007755 /nfs/dbraw/zinc/00/77/55/517007755.db2.gz CYJLIKNQMRFUNP-QGZVFWFLSA-N 1 2 351.410 2.500 20 30 FFEDLO Cc1cc(Br)cc2c1C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CC2 ZINC000537126543 517047367 /nfs/dbraw/zinc/04/73/67/517047367.db2.gz XNMDWOUSCHZEQW-CYBMUJFWSA-N 1 2 364.287 2.876 20 30 FFEDLO Cc1cc(Br)cc2c1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CC2 ZINC000537126543 517047374 /nfs/dbraw/zinc/04/73/74/517047374.db2.gz XNMDWOUSCHZEQW-CYBMUJFWSA-N 1 2 364.287 2.876 20 30 FFEDLO N#CCCOCC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000559038743 517053764 /nfs/dbraw/zinc/05/37/64/517053764.db2.gz ZYWWMIUGUMFPJO-UHFFFAOYSA-N 1 2 362.783 2.806 20 30 FFEDLO C=CCCCCCN(C)C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000555802234 517132186 /nfs/dbraw/zinc/13/21/86/517132186.db2.gz BSYBJKPMGVVQAE-GOSISDBHSA-N 1 2 368.481 2.831 20 30 FFEDLO CC(C)COC[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccco1 ZINC000541626394 517149441 /nfs/dbraw/zinc/14/94/41/517149441.db2.gz FSCBQXPKJVCFPZ-SFHVURJKSA-N 1 2 355.438 2.771 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1C#N ZINC000537563175 517231959 /nfs/dbraw/zinc/23/19/59/517231959.db2.gz VTGOORYSMYVIJM-HNNXBMFYSA-N 1 2 365.437 2.720 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1C#N ZINC000537563175 517231969 /nfs/dbraw/zinc/23/19/69/517231969.db2.gz VTGOORYSMYVIJM-HNNXBMFYSA-N 1 2 365.437 2.720 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@]3(C#N)CC34CCCC4)c[nH+]2)C[C@H](C)O1 ZINC000562632696 517255258 /nfs/dbraw/zinc/25/52/58/517255258.db2.gz KICNVIKRBHXJPM-VWKPWSFCSA-N 1 2 368.481 2.785 20 30 FFEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000533024333 517257895 /nfs/dbraw/zinc/25/78/95/517257895.db2.gz VLVPUYGUBKFHLX-YJBOKZPZSA-N 1 2 357.454 2.528 20 30 FFEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000533024333 517257906 /nfs/dbraw/zinc/25/79/06/517257906.db2.gz VLVPUYGUBKFHLX-YJBOKZPZSA-N 1 2 357.454 2.528 20 30 FFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000520202313 517298020 /nfs/dbraw/zinc/29/80/20/517298020.db2.gz SAFOJRCYLLFXBG-UHFFFAOYSA-N 1 2 372.513 2.837 20 30 FFEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000559703354 517381370 /nfs/dbraw/zinc/38/13/70/517381370.db2.gz AGRRGWWKGQKSDR-CJNGLKHVSA-N 1 2 362.380 2.817 20 30 FFEDLO N#Cc1ccccc1CN1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000533377120 517434763 /nfs/dbraw/zinc/43/47/63/517434763.db2.gz IOKSPAUWOLTVCR-UHFFFAOYSA-N 1 2 374.488 2.655 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H](CC(C)C)c2ccccc2)c1C#N ZINC000534056661 517724712 /nfs/dbraw/zinc/72/47/12/517724712.db2.gz DFSPLFIWHHYFHT-INIZCTEOSA-N 1 2 353.470 2.624 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000549841657 517739545 /nfs/dbraw/zinc/73/95/45/517739545.db2.gz XTGLLQBQXMDMRG-BFUOFWGJSA-N 1 2 363.396 2.760 20 30 FFEDLO N#Cc1cc(N2CCC(CCCn3cc[nH+]c3)CC2)cc(N)c1[N+](=O)[O-] ZINC000553495217 517745784 /nfs/dbraw/zinc/74/57/84/517745784.db2.gz VKBNHWSDGVMTEM-UHFFFAOYSA-N 1 2 354.414 2.942 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1ccc2oc3ccccc3c2c1 ZINC000563220472 517749161 /nfs/dbraw/zinc/74/91/61/517749161.db2.gz ORCVOQJOXHQFQN-FQEVSTJZSA-N 1 2 351.406 2.925 20 30 FFEDLO C[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1nc(C(F)(F)F)cs1 ZINC000516571303 517749451 /nfs/dbraw/zinc/74/94/51/517749451.db2.gz RVHJZJYLRBNTBJ-QMMMGPOBSA-N 1 2 352.345 2.927 20 30 FFEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C#N)cn2)CCN1Cc1ccc(C#N)cn1 ZINC000563349570 517840281 /nfs/dbraw/zinc/84/02/81/517840281.db2.gz HASZSVZOTGATJC-VGOFRKELSA-N 1 2 374.492 2.952 20 30 FFEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCN1Cc1ccc(C#N)cn1 ZINC000563349570 517840291 /nfs/dbraw/zinc/84/02/91/517840291.db2.gz HASZSVZOTGATJC-VGOFRKELSA-N 1 2 374.492 2.952 20 30 FFEDLO CCOc1cc(N2CC[NH+](Cc3ccc(C#N)cn3)CC2)ccc1[N+](=O)[O-] ZINC000563354992 517843647 /nfs/dbraw/zinc/84/36/47/517843647.db2.gz RELCNQFFPOTEDW-UHFFFAOYSA-N 1 2 367.409 2.582 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(Cl)c(F)cc1Br ZINC000517153907 518043934 /nfs/dbraw/zinc/04/39/34/518043934.db2.gz KSNSDGOKMSOFLZ-ZDUSSCGKSA-N 1 2 362.630 2.815 20 30 FFEDLO C[C@H](C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000522733776 518156881 /nfs/dbraw/zinc/15/68/81/518156881.db2.gz OAPKYGHYUAPBCI-LZJOCLMNSA-N 1 2 372.488 2.925 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c1C#N ZINC000535225581 518168009 /nfs/dbraw/zinc/16/80/09/518168009.db2.gz KXCQHVMYOGFESP-UHFFFAOYSA-N 1 2 369.465 2.569 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1cnc2c(Br)cccc2c1 ZINC000581297631 518217234 /nfs/dbraw/zinc/21/72/34/518217234.db2.gz QFUPVGWPBAQYSA-ZDUSSCGKSA-N 1 2 364.243 2.582 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cnc2c(Br)cccc2c1 ZINC000581297631 518217241 /nfs/dbraw/zinc/21/72/41/518217241.db2.gz QFUPVGWPBAQYSA-ZDUSSCGKSA-N 1 2 364.243 2.582 20 30 FFEDLO C/C(=C/c1ccccc1)C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000578512290 518245544 /nfs/dbraw/zinc/24/55/44/518245544.db2.gz INBNGOPEIXGUIT-VBKFSLOCSA-N 1 2 355.463 2.762 20 30 FFEDLO C/C(=C/c1ccccc1)C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000578512290 518245553 /nfs/dbraw/zinc/24/55/53/518245553.db2.gz INBNGOPEIXGUIT-VBKFSLOCSA-N 1 2 355.463 2.762 20 30 FFEDLO CC1CCN(c2ccc(CNC(=O)Nc3cccc(C#N)n3)c[nH+]2)CC1 ZINC000581428163 518281513 /nfs/dbraw/zinc/28/15/13/518281513.db2.gz LNQMPNGYEAGSJC-UHFFFAOYSA-N 1 2 350.426 2.906 20 30 FFEDLO N#Cc1cnn2cc(CN3CC[NH+](Cc4ccc(Cl)cc4)CC3)cnc12 ZINC000566973945 518292514 /nfs/dbraw/zinc/29/25/14/518292514.db2.gz LIAGLYKTOTXUIP-UHFFFAOYSA-N 1 2 366.856 2.572 20 30 FFEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000569877220 518335097 /nfs/dbraw/zinc/33/50/97/518335097.db2.gz NAEUPXVUHUDZEI-GOSISDBHSA-N 1 2 367.453 2.601 20 30 FFEDLO C=CC(C)(C)CNC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000584454437 518350156 /nfs/dbraw/zinc/35/01/56/518350156.db2.gz DVFYAPRVVSDBLG-OAHLLOKOSA-N 1 2 350.532 2.548 20 30 FFEDLO C[C@H]1C[C@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c2[nH+]ccn21 ZINC000581591839 518361147 /nfs/dbraw/zinc/36/11/47/518361147.db2.gz GDKHPJJKQKQBOD-GUYCJALGSA-N 1 2 367.428 2.932 20 30 FFEDLO N#Cc1cccc(CCNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000584547920 518393903 /nfs/dbraw/zinc/39/39/03/518393903.db2.gz XIZMVARNUKCCPG-UHFFFAOYSA-N 1 2 359.433 2.845 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CSCc1ccc(Br)cc1 ZINC000576044111 518402087 /nfs/dbraw/zinc/40/20/87/518402087.db2.gz IVFPWNCEUHZYHU-OAHLLOKOSA-N 1 2 370.316 2.642 20 30 FFEDLO Cc1nc(NCc2cccc(C(=O)NCCc3cccc(C#N)c3)c2)cc[nH+]1 ZINC000578918083 518435131 /nfs/dbraw/zinc/43/51/31/518435131.db2.gz DZHHQBTXUFMPCT-UHFFFAOYSA-N 1 2 371.444 2.663 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC000576183068 518468472 /nfs/dbraw/zinc/46/84/72/518468472.db2.gz RTVKMLVUMDANMN-BEFAXECRSA-N 1 2 362.905 2.905 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC000576183068 518468480 /nfs/dbraw/zinc/46/84/80/518468480.db2.gz RTVKMLVUMDANMN-BEFAXECRSA-N 1 2 362.905 2.905 20 30 FFEDLO C=CCCn1cc(C(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)nn1 ZINC000567380282 518496398 /nfs/dbraw/zinc/49/63/98/518496398.db2.gz PGRSHNFTAYXWSY-UHFFFAOYSA-N 1 2 364.453 2.825 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1csc(-c2c(F)cccc2F)n1 ZINC000573093741 518505578 /nfs/dbraw/zinc/50/55/78/518505578.db2.gz IFNUYJKIHZCEKJ-INIZCTEOSA-N 1 2 350.394 2.662 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(N2CCCCC2)c2ncccc12 ZINC000570274232 518527137 /nfs/dbraw/zinc/52/71/37/518527137.db2.gz ICAJSYMNMDCNSK-QGZVFWFLSA-N 1 2 367.497 2.843 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(N2CCCCC2)c2ncccc12 ZINC000570274232 518527140 /nfs/dbraw/zinc/52/71/40/518527140.db2.gz ICAJSYMNMDCNSK-QGZVFWFLSA-N 1 2 367.497 2.843 20 30 FFEDLO C=CC[N@H+](Cc1cc(C(C)=O)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000567516567 518565273 /nfs/dbraw/zinc/56/52/73/518565273.db2.gz BDXHCRMENOBWHH-CYBMUJFWSA-N 1 2 352.398 2.602 20 30 FFEDLO C=CC[N@@H+](Cc1cc(C(C)=O)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000567516567 518565280 /nfs/dbraw/zinc/56/52/80/518565280.db2.gz BDXHCRMENOBWHH-CYBMUJFWSA-N 1 2 352.398 2.602 20 30 FFEDLO Cc1ccc(-c2noc(C[NH+]3CCN(c4cc(C#N)cc(C)n4)CC3)n2)cc1 ZINC000585702540 518567534 /nfs/dbraw/zinc/56/75/34/518567534.db2.gz BGGRUFGKQZOHIO-UHFFFAOYSA-N 1 2 374.448 2.942 20 30 FFEDLO Cc1nn(-c2ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc2)c(C)c1Cl ZINC000567995248 518822470 /nfs/dbraw/zinc/82/24/70/518822470.db2.gz FXCBIVQUZCJOCT-SFHVURJKSA-N 1 2 359.861 2.716 20 30 FFEDLO Cc1ccc(OCc2nc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)cs2)cc1 ZINC000565280523 518874757 /nfs/dbraw/zinc/87/47/57/518874757.db2.gz RELWMCXTILFVDF-LJQANCHMSA-N 1 2 372.494 2.533 20 30 FFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000565370696 518922119 /nfs/dbraw/zinc/92/21/19/518922119.db2.gz KBOBMFKSHVBHDH-JXFKEZNVSA-N 1 2 359.470 2.943 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCN(c2ccccc2Cl)CC1)C1CC1 ZINC000589164137 518935178 /nfs/dbraw/zinc/93/51/78/518935178.db2.gz GNGGVQLFWQTUDY-IBGZPJMESA-N 1 2 360.889 2.661 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCN(c2ccccc2Cl)CC1)C1CC1 ZINC000589164137 518935186 /nfs/dbraw/zinc/93/51/86/518935186.db2.gz GNGGVQLFWQTUDY-IBGZPJMESA-N 1 2 360.889 2.661 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1nnc(SC)s1 ZINC000571159329 518955385 /nfs/dbraw/zinc/95/53/85/518955385.db2.gz HCROTRBETWOUED-ZDUSSCGKSA-N 1 2 351.497 2.518 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1(Cc2ccccc2Br)CC1 ZINC000565540692 519008573 /nfs/dbraw/zinc/00/85/73/519008573.db2.gz CPODDHBZFCLWPF-INIZCTEOSA-N 1 2 364.287 2.732 20 30 FFEDLO Cc1nsc(N2CCN(c3nc(C4CC4)[nH+]c4c3CCC4)CC2)c1C#N ZINC000577313974 519018361 /nfs/dbraw/zinc/01/83/61/519018361.db2.gz FNFFLNHGITUDOP-UHFFFAOYSA-N 1 2 366.494 2.806 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3nn(C)c4ccccc34)CC2)c1C#N ZINC000589520489 519023489 /nfs/dbraw/zinc/02/34/89/519023489.db2.gz AJAQHSPMVFBLSA-UHFFFAOYSA-N 1 2 352.467 2.532 20 30 FFEDLO N#Cc1ccc2c(c1)CCC[C@H]2Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000589730271 519072949 /nfs/dbraw/zinc/07/29/49/519072949.db2.gz YABGUYCDEDUXBR-OAQYLSRUSA-N 1 2 360.461 2.980 20 30 FFEDLO N#Cc1ccc2c(c1)CCC[C@H]2Nc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000589730271 519072955 /nfs/dbraw/zinc/07/29/55/519072955.db2.gz YABGUYCDEDUXBR-OAQYLSRUSA-N 1 2 360.461 2.980 20 30 FFEDLO N#CCCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1 ZINC000577449047 519082970 /nfs/dbraw/zinc/08/29/70/519082970.db2.gz WZMAPVTUKMGLHX-FQEVSTJZSA-N 1 2 367.424 2.973 20 30 FFEDLO N#CCCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1 ZINC000577449047 519082977 /nfs/dbraw/zinc/08/29/77/519082977.db2.gz WZMAPVTUKMGLHX-FQEVSTJZSA-N 1 2 367.424 2.973 20 30 FFEDLO C=CCn1c(C(C)C)nnc1N1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000568817039 519226369 /nfs/dbraw/zinc/22/63/69/519226369.db2.gz ZABAQGCTNZQXMZ-UHFFFAOYSA-N 1 2 365.485 2.557 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC(CCC#N)CC1 ZINC000583439007 519250326 /nfs/dbraw/zinc/25/03/26/519250326.db2.gz RHQLTMVCAZADIO-UHFFFAOYSA-N 1 2 357.458 2.774 20 30 FFEDLO C=CC[N@@H+](CCn1ccc2cc(Cl)ccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000580922467 519427562 /nfs/dbraw/zinc/42/75/62/519427562.db2.gz UWRMKWXENCYXDV-MRXNPFEDSA-N 1 2 352.887 2.970 20 30 FFEDLO C=CC[N@H+](CCn1ccc2cc(Cl)ccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000580922467 519427567 /nfs/dbraw/zinc/42/75/67/519427567.db2.gz UWRMKWXENCYXDV-MRXNPFEDSA-N 1 2 352.887 2.970 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1)c1ccccc1 ZINC000575129660 519516272 /nfs/dbraw/zinc/51/62/72/519516272.db2.gz XAFNHEWWDNSCPZ-QZTJIDSGSA-N 1 2 353.466 2.517 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1cc(F)c(Cl)cc1Br ZINC000591241755 519558838 /nfs/dbraw/zinc/55/88/38/519558838.db2.gz HMIGIAFAPCJBJC-VIFPVBQESA-N 1 2 365.630 2.827 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cc(F)c(Cl)cc1Br ZINC000591241755 519558842 /nfs/dbraw/zinc/55/88/42/519558842.db2.gz HMIGIAFAPCJBJC-VIFPVBQESA-N 1 2 365.630 2.827 20 30 FFEDLO COc1cc(OC)cc([C@H](NCc2nc(C#N)cs2)c2[nH+]ccn2C)c1 ZINC000569513894 519587886 /nfs/dbraw/zinc/58/78/86/519587886.db2.gz PZZGMVARFVYDKF-KRWDZBQOSA-N 1 2 369.450 2.645 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857111 519928596 /nfs/dbraw/zinc/92/85/96/519928596.db2.gz OTSFZGAGNKFDSP-HZSPNIEDSA-N 1 2 368.403 2.951 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857111 519928603 /nfs/dbraw/zinc/92/86/03/519928603.db2.gz OTSFZGAGNKFDSP-HZSPNIEDSA-N 1 2 368.403 2.951 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)NCCc2ccc(C(C)(C)C)cc2)C[C@H](C)N1CC#N ZINC000602863233 519935548 /nfs/dbraw/zinc/93/55/48/519935548.db2.gz PDTSIZGCNYQNPS-HDICACEKSA-N 1 2 370.541 2.561 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)NCCc2ccc(C(C)(C)C)cc2)C[C@H](C)N1CC#N ZINC000602863233 519935552 /nfs/dbraw/zinc/93/55/52/519935552.db2.gz PDTSIZGCNYQNPS-HDICACEKSA-N 1 2 370.541 2.561 20 30 FFEDLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602863155 519936637 /nfs/dbraw/zinc/93/66/37/519936637.db2.gz OWNHQLMLYVCBOB-IXDOHACOSA-N 1 2 368.481 2.870 20 30 FFEDLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602863155 519936645 /nfs/dbraw/zinc/93/66/45/519936645.db2.gz OWNHQLMLYVCBOB-IXDOHACOSA-N 1 2 368.481 2.870 20 30 FFEDLO N#Cc1cnccc1C[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000602885323 519948839 /nfs/dbraw/zinc/94/88/39/519948839.db2.gz COXZPAMGJFCKPX-HNNXBMFYSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1cnccc1C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000602885323 519948843 /nfs/dbraw/zinc/94/88/43/519948843.db2.gz COXZPAMGJFCKPX-HNNXBMFYSA-N 1 2 359.227 2.764 20 30 FFEDLO CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000602936939 519981822 /nfs/dbraw/zinc/98/18/22/519981822.db2.gz HIKSRUCPHQDTRO-JKSUJKDBSA-N 1 2 352.862 2.705 20 30 FFEDLO C[N@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602981093 520005137 /nfs/dbraw/zinc/00/51/37/520005137.db2.gz ZMGNHXYZXOPKFO-HIFRSBDPSA-N 1 2 355.360 2.825 20 30 FFEDLO C[N@@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602981093 520005146 /nfs/dbraw/zinc/00/51/46/520005146.db2.gz ZMGNHXYZXOPKFO-HIFRSBDPSA-N 1 2 355.360 2.825 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(NC(=O)C2CCCCC2)c1 ZINC000591774069 520034450 /nfs/dbraw/zinc/03/44/50/520034450.db2.gz KZOGEHNJSGDSEG-IBGZPJMESA-N 1 2 358.486 2.824 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(NC(=O)C2CCCCC2)c1 ZINC000591774069 520034453 /nfs/dbraw/zinc/03/44/53/520034453.db2.gz KZOGEHNJSGDSEG-IBGZPJMESA-N 1 2 358.486 2.824 20 30 FFEDLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594616129 520057702 /nfs/dbraw/zinc/05/77/02/520057702.db2.gz ZWPUAGRNYPALMC-UHFFFAOYSA-N 1 2 352.438 2.839 20 30 FFEDLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594616129 520057707 /nfs/dbraw/zinc/05/77/07/520057707.db2.gz ZWPUAGRNYPALMC-UHFFFAOYSA-N 1 2 352.438 2.839 20 30 FFEDLO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000594659931 520072710 /nfs/dbraw/zinc/07/27/10/520072710.db2.gz KBMZVTYRLNHNGZ-SWLSCSKDSA-N 1 2 365.355 2.963 20 30 FFEDLO N#CC[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000594659931 520072717 /nfs/dbraw/zinc/07/27/17/520072717.db2.gz KBMZVTYRLNHNGZ-SWLSCSKDSA-N 1 2 365.355 2.963 20 30 FFEDLO Cc1cc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)ncc1C#N ZINC000603111744 520085636 /nfs/dbraw/zinc/08/56/36/520085636.db2.gz DHIZIGPHQQAUDS-UHFFFAOYSA-N 1 2 364.453 2.628 20 30 FFEDLO CC1CCN(c2ccc(CNC(=O)Nc3ccnc(C#N)c3)c[nH+]2)CC1 ZINC000603139756 520101894 /nfs/dbraw/zinc/10/18/94/520101894.db2.gz PIEFQPZJGSOBIV-UHFFFAOYSA-N 1 2 350.426 2.906 20 30 FFEDLO N#Cc1cccc(OCc2ccoc2C(=O)NCCNc2cccc[nH+]2)c1 ZINC000608838345 520141800 /nfs/dbraw/zinc/14/18/00/520141800.db2.gz LXXJHODREYMROF-UHFFFAOYSA-N 1 2 362.389 2.967 20 30 FFEDLO N#CCc1ccc(Cn2cc(C[NH+]3CCN(c4ccccc4)CC3)nn2)cc1 ZINC000603221697 520165825 /nfs/dbraw/zinc/16/58/25/520165825.db2.gz GIYUZJDHSHMQSM-UHFFFAOYSA-N 1 2 372.476 2.715 20 30 FFEDLO N#Cc1cnccc1C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000592073937 520167849 /nfs/dbraw/zinc/16/78/49/520167849.db2.gz SMKPXMQUVHYUJW-UHFFFAOYSA-N 1 2 353.401 2.878 20 30 FFEDLO Cc1cccc2[nH+]c(CCNS(=O)(=O)CC3(C#N)CCCCC3)cn21 ZINC000592120874 520197621 /nfs/dbraw/zinc/19/76/21/520197621.db2.gz HCLRTINPMUTUAP-UHFFFAOYSA-N 1 2 360.483 2.579 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000592151695 520229266 /nfs/dbraw/zinc/22/92/66/520229266.db2.gz QJFBCRJRKLMCIG-MRXNPFEDSA-N 1 2 362.227 2.955 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000592151695 520229275 /nfs/dbraw/zinc/22/92/75/520229275.db2.gz QJFBCRJRKLMCIG-MRXNPFEDSA-N 1 2 362.227 2.955 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000592151723 520230391 /nfs/dbraw/zinc/23/03/91/520230391.db2.gz QSTOCDAOOIYWHQ-OAHLLOKOSA-N 1 2 353.209 2.894 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000592151723 520230397 /nfs/dbraw/zinc/23/03/97/520230397.db2.gz QSTOCDAOOIYWHQ-OAHLLOKOSA-N 1 2 353.209 2.894 20 30 FFEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000600422974 520253838 /nfs/dbraw/zinc/25/38/38/520253838.db2.gz YBNYLIRCSUDLBE-KRWDZBQOSA-N 1 2 367.474 2.770 20 30 FFEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000600422974 520253846 /nfs/dbraw/zinc/25/38/46/520253846.db2.gz YBNYLIRCSUDLBE-KRWDZBQOSA-N 1 2 367.474 2.770 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000603642667 520336720 /nfs/dbraw/zinc/33/67/20/520336720.db2.gz HIUBFWJIKYSOLT-KRWDZBQOSA-N 1 2 371.868 2.774 20 30 FFEDLO CC[C@H]1c2ccsc2CCN1C(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609539012 520349733 /nfs/dbraw/zinc/34/97/33/520349733.db2.gz PVVLBEGBIQUQSA-ZWKOTPCHSA-N 1 2 374.554 2.750 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(F)c(C#N)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000609634972 520390673 /nfs/dbraw/zinc/39/06/73/520390673.db2.gz FWZXYERFPGJETM-AWEZNQCLSA-N 1 2 370.403 2.986 20 30 FFEDLO CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(C#N)cc1F ZINC000610153716 520561221 /nfs/dbraw/zinc/56/12/21/520561221.db2.gz MSFDTCQPFRDXPA-IBGZPJMESA-N 1 2 353.397 2.561 20 30 FFEDLO CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(C#N)cc1F ZINC000610153716 520561226 /nfs/dbraw/zinc/56/12/26/520561226.db2.gz MSFDTCQPFRDXPA-IBGZPJMESA-N 1 2 353.397 2.561 20 30 FFEDLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NC1CCN(CC#N)CC1 ZINC000610160368 520565373 /nfs/dbraw/zinc/56/53/73/520565373.db2.gz SVVXEZJABCKYQF-UHFFFAOYSA-N 1 2 352.438 2.542 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccccc3CC#N)c[nH+]2)C[C@H](C)O1 ZINC000600998517 520584857 /nfs/dbraw/zinc/58/48/57/520584857.db2.gz NSVQNOFWTMOHAQ-HOTGVXAUSA-N 1 2 364.449 2.691 20 30 FFEDLO C=CCN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)[C@@H](C)COC ZINC000617576993 520588226 /nfs/dbraw/zinc/58/82/26/520588226.db2.gz FQSAMULKDBKULM-INIZCTEOSA-N 1 2 370.453 2.575 20 30 FFEDLO Cc1cccc2c1ncc(C#N)c2NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000610245830 520597555 /nfs/dbraw/zinc/59/75/55/520597555.db2.gz LOBOFGAVNVTIGT-UHFFFAOYSA-N 1 2 359.433 2.681 20 30 FFEDLO Cc1nn(C)c(=O)c(-c2nc(C[N@@H+]3CCC[C@H](CC#N)C3)cs2)c1C ZINC000595620757 520600375 /nfs/dbraw/zinc/60/03/75/520600375.db2.gz PXQGVZZQPJGLDU-CQSZACIVSA-N 1 2 357.483 2.646 20 30 FFEDLO Cc1nn(C)c(=O)c(-c2nc(C[N@H+]3CCC[C@H](CC#N)C3)cs2)c1C ZINC000595620757 520600380 /nfs/dbraw/zinc/60/03/80/520600380.db2.gz PXQGVZZQPJGLDU-CQSZACIVSA-N 1 2 357.483 2.646 20 30 FFEDLO N#Cc1sccc1N1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000595629810 520605590 /nfs/dbraw/zinc/60/55/90/520605590.db2.gz MESIVSGZZJXRGW-UHFFFAOYSA-N 1 2 351.369 2.659 20 30 FFEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633093 520611060 /nfs/dbraw/zinc/61/10/60/520611060.db2.gz LYSKDRZXTXWLEO-BZUAXINKSA-N 1 2 360.527 2.920 20 30 FFEDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@H+](C)CCOc1ccccc1C#N ZINC000595679927 520641789 /nfs/dbraw/zinc/64/17/89/520641789.db2.gz LWUNACKSQXFQFX-LJQANCHMSA-N 1 2 354.406 2.792 20 30 FFEDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@@H+](C)CCOc1ccccc1C#N ZINC000595679927 520641796 /nfs/dbraw/zinc/64/17/96/520641796.db2.gz LWUNACKSQXFQFX-LJQANCHMSA-N 1 2 354.406 2.792 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595711583 520666363 /nfs/dbraw/zinc/66/63/63/520666363.db2.gz JCXCABIXUDPTEZ-CYBMUJFWSA-N 1 2 370.478 2.569 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595711583 520666368 /nfs/dbraw/zinc/66/63/68/520666368.db2.gz JCXCABIXUDPTEZ-CYBMUJFWSA-N 1 2 370.478 2.569 20 30 FFEDLO N#Cc1cccc(C2([NH2+]Cc3nc(CC(F)(F)F)no3)CCOCC2)c1 ZINC000595765687 520707605 /nfs/dbraw/zinc/70/76/05/520707605.db2.gz UJECCAZHROWJNZ-UHFFFAOYSA-N 1 2 366.343 2.842 20 30 FFEDLO COCCN(CCC#N)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000610557772 520737491 /nfs/dbraw/zinc/73/74/91/520737491.db2.gz KDQBQBYCYPMOEI-IRXDYDNUSA-N 1 2 374.485 2.690 20 30 FFEDLO COCCc1ccc(OC[C@H](O)C[N@@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000593122922 520761919 /nfs/dbraw/zinc/76/19/19/520761919.db2.gz BNHCUYGPXWWJPD-LJQANCHMSA-N 1 2 352.434 2.503 20 30 FFEDLO COCCc1ccc(OC[C@H](O)C[N@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000593122922 520761925 /nfs/dbraw/zinc/76/19/25/520761925.db2.gz BNHCUYGPXWWJPD-LJQANCHMSA-N 1 2 352.434 2.503 20 30 FFEDLO COc1nc(C)cc(C)c1C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000598650727 520762679 /nfs/dbraw/zinc/76/26/79/520762679.db2.gz WUAAEUVLTXHJDU-MRXNPFEDSA-N 1 2 358.486 2.870 20 30 FFEDLO COc1nc(C)cc(C)c1C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000598650727 520762688 /nfs/dbraw/zinc/76/26/88/520762688.db2.gz WUAAEUVLTXHJDU-MRXNPFEDSA-N 1 2 358.486 2.870 20 30 FFEDLO CCOc1cncc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000598675000 520782495 /nfs/dbraw/zinc/78/24/95/520782495.db2.gz AGIGHDRGXLEZQQ-UHFFFAOYSA-N 1 2 353.426 2.540 20 30 FFEDLO CC(C)Oc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1Br ZINC000593153455 520785904 /nfs/dbraw/zinc/78/59/04/520785904.db2.gz ROJNGEOKNLIYGG-INIZCTEOSA-N 1 2 368.275 2.810 20 30 FFEDLO Cc1ccc(C#N)nc1N1CC[NH+](CC(=O)Nc2c(C)cccc2C)CC1 ZINC000596057926 520886203 /nfs/dbraw/zinc/88/62/03/520886203.db2.gz YLJYILAYYZFXSO-UHFFFAOYSA-N 1 2 363.465 2.639 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[C@H](CC#N)C1)c1cccc(F)c1 ZINC000596106955 520916594 /nfs/dbraw/zinc/91/65/94/520916594.db2.gz BJHYVPMUOXODEM-PBHICJAKSA-N 1 2 355.417 2.984 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3coc(C4CCC4)n3)CC2)cc1 ZINC000618175430 520918865 /nfs/dbraw/zinc/91/88/65/520918865.db2.gz IGJPQPCRFJGNTE-UHFFFAOYSA-N 1 2 350.422 2.772 20 30 FFEDLO C[C@@H](C(=O)N[C@H](C#N)c1ccccc1Br)[NH+]1CCSCC1 ZINC000611012965 520946053 /nfs/dbraw/zinc/94/60/53/520946053.db2.gz QEFTYMMAXMWXEQ-SMDDNHRTSA-N 1 2 368.300 2.567 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000614403134 520947831 /nfs/dbraw/zinc/94/78/31/520947831.db2.gz GQWJEPBXNAAVOA-UHFFFAOYSA-N 1 2 355.463 2.649 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000614403134 520947839 /nfs/dbraw/zinc/94/78/39/520947839.db2.gz GQWJEPBXNAAVOA-UHFFFAOYSA-N 1 2 355.463 2.649 20 30 FFEDLO Cn1cc[nH+]c1C[C@H](NS(=O)(=O)c1ccccc1C#N)c1ccccc1 ZINC000611023936 520950674 /nfs/dbraw/zinc/95/06/74/520950674.db2.gz FLAIAZZSGXARIC-KRWDZBQOSA-N 1 2 366.446 2.554 20 30 FFEDLO C[C@@H](NC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccc2ccccc2c1 ZINC000611175291 521023826 /nfs/dbraw/zinc/02/38/26/521023826.db2.gz CUGTXFIHGZSXNJ-QGZVFWFLSA-N 1 2 350.466 2.548 20 30 FFEDLO N#Cc1sccc1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000593525247 521049081 /nfs/dbraw/zinc/04/90/81/521049081.db2.gz NMRLYXGWJNSLIV-CYBMUJFWSA-N 1 2 365.480 2.718 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601971595 521049765 /nfs/dbraw/zinc/04/97/65/521049765.db2.gz CXJKGNBONYYVPY-GOEBONIOSA-N 1 2 351.397 2.678 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601971595 521049771 /nfs/dbraw/zinc/04/97/71/521049771.db2.gz CXJKGNBONYYVPY-GOEBONIOSA-N 1 2 351.397 2.678 20 30 FFEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC000611239496 521052131 /nfs/dbraw/zinc/05/21/31/521052131.db2.gz GOMUHEKLVUQCSZ-ZDUSSCGKSA-N 1 2 350.451 2.841 20 30 FFEDLO Cc1nc(N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c(C)c(C)[nH+]1 ZINC000596452745 521079598 /nfs/dbraw/zinc/07/95/98/521079598.db2.gz FZOGBFRVYUHTNI-UHFFFAOYSA-N 1 2 373.464 2.990 20 30 FFEDLO C=CCSc1ccccc1C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000614665494 521081846 /nfs/dbraw/zinc/08/18/46/521081846.db2.gz OHFWRIXMYUNHKO-OAHLLOKOSA-N 1 2 372.494 2.990 20 30 FFEDLO C=CCSc1ccccc1C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614665494 521081858 /nfs/dbraw/zinc/08/18/58/521081858.db2.gz OHFWRIXMYUNHKO-OAHLLOKOSA-N 1 2 372.494 2.990 20 30 FFEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000599200922 521083077 /nfs/dbraw/zinc/08/30/77/521083077.db2.gz XMDWQNMMZAHPIF-MRXNPFEDSA-N 1 2 354.410 2.877 20 30 FFEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000596482711 521094544 /nfs/dbraw/zinc/09/45/44/521094544.db2.gz UOQCLWCCTSAYOF-UHFFFAOYSA-N 1 2 373.501 2.691 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598740 521157505 /nfs/dbraw/zinc/15/75/05/521157505.db2.gz ONSCATKJLIPOLS-CQSZACIVSA-N 1 2 351.454 2.703 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598740 521157512 /nfs/dbraw/zinc/15/75/12/521157512.db2.gz ONSCATKJLIPOLS-CQSZACIVSA-N 1 2 351.454 2.703 20 30 FFEDLO Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)cc1C#N ZINC000599338114 521161336 /nfs/dbraw/zinc/16/13/36/521161336.db2.gz BSIFWRPMUWQZBU-UHFFFAOYSA-N 1 2 366.440 2.762 20 30 FFEDLO N#Cc1ccc(C[N@@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)c([N+](=O)[O-])c1 ZINC000599395457 521196246 /nfs/dbraw/zinc/19/62/46/521196246.db2.gz CUVYDMWAVMHVQG-HXUWFJFHSA-N 1 2 367.405 2.620 20 30 FFEDLO N#Cc1ccc(C[N@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)c([N+](=O)[O-])c1 ZINC000599395457 521196254 /nfs/dbraw/zinc/19/62/54/521196254.db2.gz CUVYDMWAVMHVQG-HXUWFJFHSA-N 1 2 367.405 2.620 20 30 FFEDLO C=CCn1c(=O)c2ccsc2nc1Sc1cc(-n2cc[nH+]c2)ncn1 ZINC000607142088 521273019 /nfs/dbraw/zinc/27/30/19/521273019.db2.gz FPYYBAGANOBVEC-UHFFFAOYSA-N 1 2 368.447 2.771 20 30 FFEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000618890593 521281019 /nfs/dbraw/zinc/28/10/19/521281019.db2.gz KHTLUWKCHNUDDI-OAQYLSRUSA-N 1 2 361.445 2.808 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)CC3(C#N)CCCCC3)c[nH+]2)CCO1 ZINC000596813348 521303684 /nfs/dbraw/zinc/30/36/84/521303684.db2.gz LIGDUAKHHAUPIR-INIZCTEOSA-N 1 2 356.470 2.787 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599590253 521315995 /nfs/dbraw/zinc/31/59/95/521315995.db2.gz PJAKKTLPBHWENP-PBHICJAKSA-N 1 2 357.454 2.796 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599590253 521316000 /nfs/dbraw/zinc/31/60/00/521316000.db2.gz PJAKKTLPBHWENP-PBHICJAKSA-N 1 2 357.454 2.796 20 30 FFEDLO N#Cc1cc(O)cc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000619144136 521416693 /nfs/dbraw/zinc/41/66/93/521416693.db2.gz JQVBHNBZJHWENY-UHFFFAOYSA-N 1 2 350.422 2.816 20 30 FFEDLO N#Cc1cccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)n1 ZINC000602647372 521455016 /nfs/dbraw/zinc/45/50/16/521455016.db2.gz HPFXMSISTGSYHM-IBGZPJMESA-N 1 2 351.841 2.989 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3ccc4nccnc4c3)CC2)c1C#N ZINC000602665957 521468546 /nfs/dbraw/zinc/46/85/46/521468546.db2.gz FNYGOCRJZFQVEN-UHFFFAOYSA-N 1 2 350.451 2.589 20 30 FFEDLO N#Cc1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)ccn1 ZINC000619295497 521504957 /nfs/dbraw/zinc/50/49/57/521504957.db2.gz AWIBNMHQFBMHPD-LJQANCHMSA-N 1 2 351.841 2.989 20 30 FFEDLO COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+]2CCC[C@@](C)(C#N)C2)cc1OC ZINC000612161583 521512732 /nfs/dbraw/zinc/51/27/32/521512732.db2.gz CQTKHJWKANSUII-QRWLVFNGSA-N 1 2 359.470 2.676 20 30 FFEDLO COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+]2CCC[C@@](C)(C#N)C2)cc1OC ZINC000612161583 521512735 /nfs/dbraw/zinc/51/27/35/521512735.db2.gz CQTKHJWKANSUII-QRWLVFNGSA-N 1 2 359.470 2.676 20 30 FFEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000597115264 521516635 /nfs/dbraw/zinc/51/66/35/521516635.db2.gz HPIITKHCLGGMGS-IBGZPJMESA-N 1 2 355.873 2.865 20 30 FFEDLO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612167417 521516807 /nfs/dbraw/zinc/51/68/07/521516807.db2.gz YKWWKXLTQYJAJL-MDOVXXIYSA-N 1 2 359.470 2.895 20 30 FFEDLO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612167417 521516813 /nfs/dbraw/zinc/51/68/13/521516813.db2.gz YKWWKXLTQYJAJL-MDOVXXIYSA-N 1 2 359.470 2.895 20 30 FFEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCCO1 ZINC000594281147 521533035 /nfs/dbraw/zinc/53/30/35/521533035.db2.gz BZTHMLNPJZEBCE-WOJBJXKFSA-N 1 2 370.497 2.733 20 30 FFEDLO C[C@@H](c1cccc(NC(=O)CC2(C#N)CCOCC2)c1)[NH+]1CCOCC1 ZINC000597153842 521541784 /nfs/dbraw/zinc/54/17/84/521541784.db2.gz JGPFLESSLJIHBC-INIZCTEOSA-N 1 2 357.454 2.729 20 30 FFEDLO N#CCc1cccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000619473145 521586484 /nfs/dbraw/zinc/58/64/84/521586484.db2.gz KYPQYADNCBADBH-GOSISDBHSA-N 1 2 373.478 2.851 20 30 FFEDLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000616135498 521628847 /nfs/dbraw/zinc/62/88/47/521628847.db2.gz UYVFZXLVAUBMMQ-OAHLLOKOSA-N 1 2 352.413 2.847 20 30 FFEDLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000616135498 521628849 /nfs/dbraw/zinc/62/88/49/521628849.db2.gz UYVFZXLVAUBMMQ-OAHLLOKOSA-N 1 2 352.413 2.847 20 30 FFEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2cc(C#N)oc2C)CC1 ZINC000619546536 521762443 /nfs/dbraw/zinc/76/24/43/521762443.db2.gz DUKKPMCBVCZOOV-UHFFFAOYSA-N 1 2 353.422 2.735 20 30 FFEDLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647469 521810565 /nfs/dbraw/zinc/81/05/65/521810565.db2.gz SIFZDCQIRUMVRZ-YLJYHZDGSA-N 1 2 372.488 2.799 20 30 FFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000619719094 521836674 /nfs/dbraw/zinc/83/66/74/521836674.db2.gz SYLCUONTMVLTDL-OAHLLOKOSA-N 1 2 350.484 2.792 20 30 FFEDLO COc1ccc2c(c1)OCC[N@H+]([C@@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000619810768 521884442 /nfs/dbraw/zinc/88/44/42/521884442.db2.gz VURMKNDWQXLKOL-AWEZNQCLSA-N 1 2 351.406 2.788 20 30 FFEDLO COc1ccc2c(c1)OCC[N@@H+]([C@@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000619810768 521884451 /nfs/dbraw/zinc/88/44/51/521884451.db2.gz VURMKNDWQXLKOL-AWEZNQCLSA-N 1 2 351.406 2.788 20 30 FFEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000626250337 522045947 /nfs/dbraw/zinc/04/59/47/522045947.db2.gz JIWWKRQQMHQEAQ-QGZVFWFLSA-N 1 2 355.463 2.600 20 30 FFEDLO C[N@H+]1CCOC[C@H]1CNC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000626250337 522045953 /nfs/dbraw/zinc/04/59/53/522045953.db2.gz JIWWKRQQMHQEAQ-QGZVFWFLSA-N 1 2 355.463 2.600 20 30 FFEDLO C=C[C@@H](CC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000629436914 522217803 /nfs/dbraw/zinc/21/78/03/522217803.db2.gz BXNIZLHBZCDQDH-PZJWPPBQSA-N 1 2 365.477 2.759 20 30 FFEDLO C=C[C@@H](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000629436914 522217812 /nfs/dbraw/zinc/21/78/12/522217812.db2.gz BXNIZLHBZCDQDH-PZJWPPBQSA-N 1 2 365.477 2.759 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCCN(C(C)=O)CC2)cc1OC ZINC000628125595 523363273 /nfs/dbraw/zinc/36/32/73/523363273.db2.gz GVFWJRQKBPEEQN-UHFFFAOYSA-N 1 2 352.862 2.968 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCCN(C(C)=O)CC2)cc1OC ZINC000628125595 523363284 /nfs/dbraw/zinc/36/32/84/523363284.db2.gz GVFWJRQKBPEEQN-UHFFFAOYSA-N 1 2 352.862 2.968 20 30 FFEDLO C=C(C)Cn1c(C(C)(C)C)n[n-]c1=[NH+]c1cnn(C2CC[NH+](C)CC2)c1 ZINC000634371820 523378201 /nfs/dbraw/zinc/37/82/01/523378201.db2.gz ABKQONDPJJPZQJ-UHFFFAOYSA-N 1 2 357.506 2.780 20 30 FFEDLO C=CC[C@H]1CC[N@@H+](CC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)C1 ZINC000625702234 523631196 /nfs/dbraw/zinc/63/11/96/523631196.db2.gz FUXNIWCNQQAIFA-IRXDYDNUSA-N 1 2 364.511 2.545 20 30 FFEDLO C=CC[C@H]1CC[N@H+](CC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)C1 ZINC000625702234 523631206 /nfs/dbraw/zinc/63/12/06/523631206.db2.gz FUXNIWCNQQAIFA-IRXDYDNUSA-N 1 2 364.511 2.545 20 30 FFEDLO Cc1cc(NCCNC(=O)c2c(F)cc(C#N)cc2F)nc(C(C)C)[nH+]1 ZINC000529845401 562388565 /nfs/dbraw/zinc/38/85/65/562388565.db2.gz OKTRWZKPIILPJV-UHFFFAOYSA-N 1 2 359.380 2.900 20 30 FFEDLO C[C@H]1C[N@H+](CCNc2nc3c(c(C#N)c2C#N)CCCCCC3)CCO1 ZINC000530369814 562408472 /nfs/dbraw/zinc/40/84/72/562408472.db2.gz ABGXMXYJJIGMJH-HNNXBMFYSA-N 1 2 353.470 2.617 20 30 FFEDLO C[C@H]1C[N@@H+](CCNc2nc3c(c(C#N)c2C#N)CCCCCC3)CCO1 ZINC000530369814 562408473 /nfs/dbraw/zinc/40/84/73/562408473.db2.gz ABGXMXYJJIGMJH-HNNXBMFYSA-N 1 2 353.470 2.617 20 30 FFEDLO CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000534056682 562524299 /nfs/dbraw/zinc/52/42/99/562524299.db2.gz HLIWBYTYWDFKNT-KEYYUXOJSA-N 1 2 361.490 2.746 20 30 FFEDLO N#CC1(C[C@H](O)Cn2nc(C(F)(F)F)c3c[nH+]ccc32)CCOCC1 ZINC000601959417 567886578 /nfs/dbraw/zinc/88/65/78/567886578.db2.gz QOSWTMPTCCNNOO-NSHDSACASA-N 1 2 354.332 2.521 20 30 FFEDLO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(C#N)c1F ZINC000826158755 608389320 /nfs/dbraw/zinc/38/93/20/608389320.db2.gz BDAIRSYHOIARPP-UHFFFAOYSA-N 1 2 366.400 2.526 20 30 FFEDLO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(C#N)c1F ZINC000826158755 608389322 /nfs/dbraw/zinc/38/93/22/608389322.db2.gz BDAIRSYHOIARPP-UHFFFAOYSA-N 1 2 366.400 2.526 20 30 FFEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c1=S ZINC000155466667 728829271 /nfs/dbraw/zinc/82/92/71/728829271.db2.gz NZWTVKLOWIYQMZ-GDBMZVCRSA-N 1 2 359.499 2.855 20 30 FFEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1=S ZINC000155466667 728829274 /nfs/dbraw/zinc/82/92/74/728829274.db2.gz NZWTVKLOWIYQMZ-GDBMZVCRSA-N 1 2 359.499 2.855 20 30 FFEDLO N#Cc1cccc(CNC(=O)CO[NH+]=C(N)Cc2ccccc2Cl)c1 ZINC000746694672 735506189 /nfs/dbraw/zinc/50/61/89/735506189.db2.gz XTUVVFCPELDNSL-UHFFFAOYSA-N 1 2 356.813 2.569 20 30 FFEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(NS(C)(=O)=O)cc3)c[nH+]c12 ZINC000125363496 728682838 /nfs/dbraw/zinc/68/28/38/728682838.db2.gz ZHYBUWARSXKHRZ-MDZDMXLPSA-N 1 2 355.419 2.910 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924784499 738449401 /nfs/dbraw/zinc/44/94/01/738449401.db2.gz WQTCHQFBWQGGCJ-ZDUSSCGKSA-N 1 2 357.483 2.979 20 30 FFEDLO N#Cc1ccc(F)c(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000870997218 731585035 /nfs/dbraw/zinc/58/50/35/731585035.db2.gz KXMOHJXGEGUYSK-UHFFFAOYSA-N 1 2 356.426 2.576 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3(Br)CC3)CC2)cc1 ZINC000873876263 731975682 /nfs/dbraw/zinc/97/56/82/731975682.db2.gz TUYKPERONDOLDW-UHFFFAOYSA-N 1 2 362.271 2.520 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3(Br)CC3)CC2)cc1 ZINC000873876263 731975685 /nfs/dbraw/zinc/97/56/85/731975685.db2.gz TUYKPERONDOLDW-UHFFFAOYSA-N 1 2 362.271 2.520 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@@H](C)COC ZINC000661243307 732187380 /nfs/dbraw/zinc/18/73/80/732187380.db2.gz IYQXKGANACPVSQ-LBPRGKRZSA-N 1 2 356.850 2.819 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@@H](C)COC ZINC000661243307 732187383 /nfs/dbraw/zinc/18/73/83/732187383.db2.gz IYQXKGANACPVSQ-LBPRGKRZSA-N 1 2 356.850 2.819 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cccnc3Br)C2)nc1 ZINC000877545233 732384334 /nfs/dbraw/zinc/38/43/34/732384334.db2.gz HVCGJSUIEUYJDC-CQSZACIVSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cccnc3Br)C2)nc1 ZINC000877545233 732384339 /nfs/dbraw/zinc/38/43/39/732384339.db2.gz HVCGJSUIEUYJDC-CQSZACIVSA-N 1 2 359.227 2.764 20 30 FFEDLO COC(=O)c1cc(C2CC[NH+](Cc3cc(C#N)cnc3Cl)CC2)no1 ZINC000877704973 732417159 /nfs/dbraw/zinc/41/71/59/732417159.db2.gz YVHAJQAIQHESRK-UHFFFAOYSA-N 1 2 360.801 2.761 20 30 FFEDLO N#CCCCC[N@H+]1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000879098597 732645193 /nfs/dbraw/zinc/64/51/93/732645193.db2.gz BDWYTWUNWZFSMZ-UHFFFAOYSA-N 1 2 350.260 2.787 20 30 FFEDLO N#CCCCC[N@@H+]1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000879098597 732645195 /nfs/dbraw/zinc/64/51/95/732645195.db2.gz BDWYTWUNWZFSMZ-UHFFFAOYSA-N 1 2 350.260 2.787 20 30 FFEDLO COc1cccc(S(=O)(=O)CC[N@H+](C)CCc2cccc(C#N)c2)c1 ZINC000879433714 732701746 /nfs/dbraw/zinc/70/17/46/732701746.db2.gz BVYULVQIIQXFCL-UHFFFAOYSA-N 1 2 358.463 2.515 20 30 FFEDLO COc1cccc(S(=O)(=O)CC[N@@H+](C)CCc2cccc(C#N)c2)c1 ZINC000879433714 732701748 /nfs/dbraw/zinc/70/17/48/732701748.db2.gz BVYULVQIIQXFCL-UHFFFAOYSA-N 1 2 358.463 2.515 20 30 FFEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2ccccc2SC(F)F)CC1 ZINC000880476669 732912770 /nfs/dbraw/zinc/91/27/70/732912770.db2.gz BPZUUPFAFIVXDF-UHFFFAOYSA-N 1 2 354.422 2.790 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1nc(-c2ccc(C)s2)c(C)s1 ZINC000884125040 733483639 /nfs/dbraw/zinc/48/36/39/733483639.db2.gz OZSWGJVLBOUPRS-NSHDSACASA-N 1 2 365.480 2.874 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000884156919 733487955 /nfs/dbraw/zinc/48/79/55/733487955.db2.gz PGNXHJVXKLFPFG-HNNXBMFYSA-N 1 2 350.390 2.532 20 30 FFEDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(CCC#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000885057385 733617582 /nfs/dbraw/zinc/61/75/82/733617582.db2.gz MRDHLCNDAVHZGX-CRAIPNDOSA-N 1 2 358.467 2.611 20 30 FFEDLO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000886772497 733830285 /nfs/dbraw/zinc/83/02/85/733830285.db2.gz ZLKOFKPNXXCWSW-ZDUSSCGKSA-N 1 2 359.495 2.838 20 30 FFEDLO CC(C)Cn1ncnc1CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782950408 738767727 /nfs/dbraw/zinc/76/77/27/738767727.db2.gz XWFKYWVXYFLGMK-UHFFFAOYSA-N 1 2 352.236 2.534 20 30 FFEDLO C[NH+](C)Cc1csc(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)n1 ZINC000927765575 738779735 /nfs/dbraw/zinc/77/97/35/738779735.db2.gz ATKSWZCEMUGLKC-UHFFFAOYSA-N 1 2 358.467 2.550 20 30 FFEDLO C=CCOc1ccc(C(=O)NCc2nc(C[NH+](C)C)cs2)cc1OC ZINC000927773593 738782347 /nfs/dbraw/zinc/78/23/47/738782347.db2.gz NUXGXVBGJKGLKM-UHFFFAOYSA-N 1 2 361.467 2.708 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(I)c1 ZINC000730274359 734624321 /nfs/dbraw/zinc/62/43/21/734624321.db2.gz CVMIPCACUBYSCB-AWEZNQCLSA-N 1 2 368.218 2.636 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(I)c1 ZINC000730274359 734624323 /nfs/dbraw/zinc/62/43/23/734624323.db2.gz CVMIPCACUBYSCB-AWEZNQCLSA-N 1 2 368.218 2.636 20 30 FFEDLO COc1ccc(CNC(=S)NN=Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000783804369 738838630 /nfs/dbraw/zinc/83/86/30/738838630.db2.gz NCPLFXCAMIIWTE-UHFFFAOYSA-N 1 2 371.491 2.941 20 30 FFEDLO C=C(C)C[C@@H]([NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)OCC ZINC000895593193 735029119 /nfs/dbraw/zinc/02/91/19/735029119.db2.gz XRWUDWTVQODPCL-RHSMWYFYSA-N 1 2 353.484 2.681 20 30 FFEDLO CCOC(=O)[C@@H](C)C1C[NH+](Cc2cc(C#N)ccc2Br)C1 ZINC000895948847 735078291 /nfs/dbraw/zinc/07/82/91/735078291.db2.gz RYDUNYQAZHOTNJ-NSHDSACASA-N 1 2 351.244 2.952 20 30 FFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2nc(C#N)cs2)CC1 ZINC000897282503 735215058 /nfs/dbraw/zinc/21/50/58/735215058.db2.gz MNASGHSVBOJPEJ-LBPRGKRZSA-N 1 2 361.496 2.665 20 30 FFEDLO COC(=O)c1ccc(OCCO[NH+]=C(N)c2ccc(F)cc2)c(Cl)c1 ZINC000742352983 735232488 /nfs/dbraw/zinc/23/24/88/735232488.db2.gz JCIGCKOMAHOJTQ-UHFFFAOYSA-N 1 2 366.776 2.982 20 30 FFEDLO C#CCSCCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000749834299 735753558 /nfs/dbraw/zinc/75/35/58/735753558.db2.gz CHYPMHXCEIZUDH-SFHVURJKSA-N 1 2 356.495 2.907 20 30 FFEDLO CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000901429166 735777675 /nfs/dbraw/zinc/77/76/75/735777675.db2.gz SWXVKRCZRUOVLV-VAWYXSNFSA-N 1 2 361.467 2.953 20 30 FFEDLO C[NH+](C)Cc1csc(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)n1 ZINC000902884814 736004305 /nfs/dbraw/zinc/00/43/05/736004305.db2.gz MXFNNFJINLNQBA-UHFFFAOYSA-N 1 2 360.487 2.955 20 30 FFEDLO C=CC[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C(=O)OC ZINC000905754847 736394179 /nfs/dbraw/zinc/39/41/79/736394179.db2.gz HRHJRPJFJOTXHR-MRXNPFEDSA-N 1 2 354.397 2.964 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000764533208 737027455 /nfs/dbraw/zinc/02/74/55/737027455.db2.gz KDXZXTKRWNFNEW-WFASDCNBSA-N 1 2 358.829 2.665 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000764533208 737027461 /nfs/dbraw/zinc/02/74/61/737027461.db2.gz KDXZXTKRWNFNEW-WFASDCNBSA-N 1 2 358.829 2.665 20 30 FFEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCCC(C)(C)O)cc1 ZINC000769842264 737573017 /nfs/dbraw/zinc/57/30/17/737573017.db2.gz LIDHFBZECXUWKK-UHFFFAOYSA-N 1 2 351.447 2.509 20 30 FFEDLO NS(=O)(=O)c1ccc(N[NH+]=Cc2ccccc2N2CCCCC2)cc1 ZINC000916240272 737688890 /nfs/dbraw/zinc/68/88/90/737688890.db2.gz AXBUZLVTNTXYLU-UHFFFAOYSA-N 1 2 358.467 2.770 20 30 FFEDLO COc1ccccc1C1N=NC(=S)N1N=Cc1cccc2[nH+]ccn21 ZINC000771089628 737695575 /nfs/dbraw/zinc/69/55/75/737695575.db2.gz RPKCPHWIESFJOC-UHFFFAOYSA-N 1 2 350.407 2.772 20 30 FFEDLO N#CC1(CS(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000772509413 737819626 /nfs/dbraw/zinc/81/96/26/737819626.db2.gz VSXXZQKZEBBWIP-UHFFFAOYSA-N 1 2 358.467 2.766 20 30 FFEDLO CCS(=O)(=O)c1c(Cl)cccc1C=NNCC[NH+]1CCCCC1 ZINC000774373897 737985127 /nfs/dbraw/zinc/98/51/27/737985127.db2.gz SWYUJBXQIDPWMG-UHFFFAOYSA-N 1 2 357.907 2.543 20 30 FFEDLO C[NH+](C)Cc1csc(CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)n1 ZINC000922241374 738110937 /nfs/dbraw/zinc/11/09/37/738110937.db2.gz HZLBJPBRNDDPRU-INIZCTEOSA-N 1 2 355.467 2.563 20 30 FFEDLO N#Cc1ccc(CS(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC000784729636 738915216 /nfs/dbraw/zinc/91/52/16/738915216.db2.gz HBLTZOYESLPPQF-UHFFFAOYSA-N 1 2 357.366 2.792 20 30 FFEDLO N#Cc1cc(Cl)cc(C[N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 ZINC000931097531 739211785 /nfs/dbraw/zinc/21/17/85/739211785.db2.gz WRXOWFKAWXDQAK-ZWKOTPCHSA-N 1 2 354.841 2.562 20 30 FFEDLO N#Cc1cc(Cl)cc(C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 ZINC000931097531 739211789 /nfs/dbraw/zinc/21/17/89/739211789.db2.gz WRXOWFKAWXDQAK-ZWKOTPCHSA-N 1 2 354.841 2.562 20 30 FFEDLO C#CC1(O)CC[NH+]([C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)CC1 ZINC000931146893 739219140 /nfs/dbraw/zinc/21/91/40/739219140.db2.gz SAUYXZZNEOCFJG-HNNXBMFYSA-N 1 2 361.511 2.657 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000788330710 739234022 /nfs/dbraw/zinc/23/40/22/739234022.db2.gz CTPZHEYWDUGZFO-LBPRGKRZSA-N 1 2 352.891 2.561 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCC(C(=O)OCC)(C(F)(F)F)CC1 ZINC000932652739 739483908 /nfs/dbraw/zinc/48/39/08/739483908.db2.gz FKBNMTMFMSFKNX-UHFFFAOYSA-N 1 2 364.408 2.619 20 30 FFEDLO N#Cc1ccc(CS(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)c(F)c1 ZINC000790854170 739504558 /nfs/dbraw/zinc/50/45/58/739504558.db2.gz ZEZIZTRECKUWOX-UHFFFAOYSA-N 1 2 357.366 2.792 20 30 FFEDLO N#CC[C@@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C(F)(F)F ZINC000932889784 739532132 /nfs/dbraw/zinc/53/21/32/739532132.db2.gz VVYRGEAABMGSEK-UONOGXRCSA-N 1 2 351.332 2.768 20 30 FFEDLO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932942203 739541354 /nfs/dbraw/zinc/54/13/54/739541354.db2.gz GCGMRYUOUFZKCL-OCAPTIKFSA-N 1 2 368.268 2.615 20 30 FFEDLO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932942203 739541356 /nfs/dbraw/zinc/54/13/56/739541356.db2.gz GCGMRYUOUFZKCL-OCAPTIKFSA-N 1 2 368.268 2.615 20 30 FFEDLO C[C@H](NC(=O)C[NH+]1CCC2(CC1)CC(=O)C=CO2)c1ccccc1Cl ZINC000933656540 739667939 /nfs/dbraw/zinc/66/79/39/739667939.db2.gz KXKPTDZWMHIMBK-AWEZNQCLSA-N 1 2 362.857 2.855 20 30 FFEDLO C[NH+](C)Cc1cnc(C=CC(=O)c2ccc(N3CCNC3=O)cc2)s1 ZINC000794711254 739922800 /nfs/dbraw/zinc/92/28/00/739922800.db2.gz BPYKJUUPIBTQFH-BQYQJAHWSA-N 1 2 356.451 2.630 20 30 FFEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC000972400865 740829666 /nfs/dbraw/zinc/82/96/66/740829666.db2.gz CHBUSVJJGQXZJJ-MGPQQGTHSA-N 1 2 353.260 2.824 20 30 FFEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC000972400865 740829670 /nfs/dbraw/zinc/82/96/70/740829670.db2.gz CHBUSVJJGQXZJJ-MGPQQGTHSA-N 1 2 353.260 2.824 20 30 FFEDLO C#CCC[N@H+](CCN1CCOCC1)Cc1sccc1Br ZINC000805822303 741014081 /nfs/dbraw/zinc/01/40/81/741014081.db2.gz QYAJZASISUWUML-UHFFFAOYSA-N 1 2 357.317 2.668 20 30 FFEDLO C#CCC[N@@H+](CCN1CCOCC1)Cc1sccc1Br ZINC000805822303 741014084 /nfs/dbraw/zinc/01/40/84/741014084.db2.gz QYAJZASISUWUML-UHFFFAOYSA-N 1 2 357.317 2.668 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2csc(C)n2)CC1(C)C ZINC000977320071 741074456 /nfs/dbraw/zinc/07/44/56/741074456.db2.gz VESYDIZOTRDEMC-ULQDDVLXSA-N 1 2 363.527 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@@H+](Cc2csc(C)n2)CC1(C)C ZINC000977320071 741074460 /nfs/dbraw/zinc/07/44/60/741074460.db2.gz VESYDIZOTRDEMC-ULQDDVLXSA-N 1 2 363.527 2.759 20 30 FFEDLO N#CCCNC(=O)C[N@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000817299070 742120623 /nfs/dbraw/zinc/12/06/23/742120623.db2.gz UAXDOIDDCYMBAL-MRXNPFEDSA-N 1 2 364.287 2.876 20 30 FFEDLO N#CCCNC(=O)C[N@@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000817299070 742120624 /nfs/dbraw/zinc/12/06/24/742120624.db2.gz UAXDOIDDCYMBAL-MRXNPFEDSA-N 1 2 364.287 2.876 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2csc(CC)n2)CC1 ZINC001006021342 742273290 /nfs/dbraw/zinc/27/32/90/742273290.db2.gz DNLZKPXPRTYPFD-SJORKVTESA-N 1 2 363.527 2.719 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)C1 ZINC001014402237 742465992 /nfs/dbraw/zinc/46/59/92/742465992.db2.gz KUGAUCQRSARNKF-JLJPHGGASA-N 1 2 364.873 2.750 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)C1 ZINC001014402237 742465996 /nfs/dbraw/zinc/46/59/96/742465996.db2.gz KUGAUCQRSARNKF-JLJPHGGASA-N 1 2 364.873 2.750 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC)C1 ZINC001015726923 742479638 /nfs/dbraw/zinc/47/96/38/742479638.db2.gz UDGUEBWPGZPUEO-ZACQAIPSSA-N 1 2 364.873 2.630 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC)C1 ZINC001015726923 742479640 /nfs/dbraw/zinc/47/96/40/742479640.db2.gz UDGUEBWPGZPUEO-ZACQAIPSSA-N 1 2 364.873 2.630 20 30 FFEDLO C[C@@H](CC#N)C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000821397614 742621351 /nfs/dbraw/zinc/62/13/51/742621351.db2.gz JPRWBMMMHSRTPJ-ZDUSSCGKSA-N 1 2 355.360 2.779 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1nc(C)sc1C ZINC001024661557 742733597 /nfs/dbraw/zinc/73/35/97/742733597.db2.gz ILHVBOFCICJNBB-NUJGCVRESA-N 1 2 363.527 2.822 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc(C)sc1C ZINC001024661557 742733601 /nfs/dbraw/zinc/73/36/01/742733601.db2.gz ILHVBOFCICJNBB-NUJGCVRESA-N 1 2 363.527 2.822 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1nccs1 ZINC001024700865 742734374 /nfs/dbraw/zinc/73/43/74/742734374.db2.gz HPWAYCDGGMMZLY-RYRKJORJSA-N 1 2 363.527 2.985 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1nccs1 ZINC001024700865 742734378 /nfs/dbraw/zinc/73/43/78/742734378.db2.gz HPWAYCDGGMMZLY-RYRKJORJSA-N 1 2 363.527 2.985 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nccs1 ZINC001024700864 742734542 /nfs/dbraw/zinc/73/45/42/742734542.db2.gz HPWAYCDGGMMZLY-BQFCYCMXSA-N 1 2 363.527 2.985 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1nccs1 ZINC001024700864 742734544 /nfs/dbraw/zinc/73/45/44/742734544.db2.gz HPWAYCDGGMMZLY-BQFCYCMXSA-N 1 2 363.527 2.985 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](Cc2ccc(C(F)F)cc2)C1 ZINC001030331453 742828275 /nfs/dbraw/zinc/82/82/75/742828275.db2.gz FTYIFSBOEVWTSL-SJORKVTESA-N 1 2 350.409 2.906 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(C)nsc1C ZINC001032410362 742861042 /nfs/dbraw/zinc/86/10/42/742861042.db2.gz YQVPCEBSAZVZAY-CUSZFKRNSA-N 1 2 361.511 2.526 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(C)nsc1C ZINC001032410362 742861050 /nfs/dbraw/zinc/86/10/50/742861050.db2.gz YQVPCEBSAZVZAY-CUSZFKRNSA-N 1 2 361.511 2.526 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)c(Cl)c1 ZINC001038714742 742979096 /nfs/dbraw/zinc/97/90/96/742979096.db2.gz UNRDTLPMSCQIPS-UXLLHSPISA-N 1 2 364.873 2.630 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)c(Cl)c1 ZINC001038714742 742979105 /nfs/dbraw/zinc/97/91/05/742979105.db2.gz UNRDTLPMSCQIPS-UXLLHSPISA-N 1 2 364.873 2.630 20 30 FFEDLO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1csc(C(C)(C)O)n1 ZINC000832384224 745689370 /nfs/dbraw/zinc/68/93/70/745689370.db2.gz KPLYIFLEECLCJQ-UHFFFAOYSA-N 1 2 358.467 2.703 20 30 FFEDLO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1csc(C(C)(C)O)n1 ZINC000832384224 745689373 /nfs/dbraw/zinc/68/93/73/745689373.db2.gz KPLYIFLEECLCJQ-UHFFFAOYSA-N 1 2 358.467 2.703 20 30 FFEDLO C#C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000833230550 745779879 /nfs/dbraw/zinc/77/98/79/745779879.db2.gz GGJWWESESRDUJN-HIFRSBDPSA-N 1 2 358.239 2.699 20 30 FFEDLO CC[C@@H](C#N)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000845996998 748378560 /nfs/dbraw/zinc/37/85/60/748378560.db2.gz JCYQXUNPGVWTJW-LBPRGKRZSA-N 1 2 365.275 2.689 20 30 FFEDLO C[C@H]1CC(=NN2C(=O)c3ccc(Br)cc3C2=O)C[N@@H+]1C1CC1 ZINC000848420061 748921563 /nfs/dbraw/zinc/92/15/63/748921563.db2.gz NZWVZAIBEACEJW-VIFPVBQESA-N 1 2 362.227 2.658 20 30 FFEDLO C[C@H]1CC(=NN2C(=O)c3ccc(Br)cc3C2=O)C[N@H+]1C1CC1 ZINC000848420061 748921568 /nfs/dbraw/zinc/92/15/68/748921568.db2.gz NZWVZAIBEACEJW-VIFPVBQESA-N 1 2 362.227 2.658 20 30 FFEDLO C=CC[N@H+](CN1Cc2c(cccc2Br)C1=O)[C@H](C)COC ZINC000853535169 750086341 /nfs/dbraw/zinc/08/63/41/750086341.db2.gz QEAPHXGNPQFPRW-GFCCVEGCSA-N 1 2 353.260 2.885 20 30 FFEDLO C=CC[N@@H+](CN1Cc2c(cccc2Br)C1=O)[C@H](C)COC ZINC000853535169 750086350 /nfs/dbraw/zinc/08/63/50/750086350.db2.gz QEAPHXGNPQFPRW-GFCCVEGCSA-N 1 2 353.260 2.885 20 30 FFEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc(CCC(N)=O)n(CC(C)C)c2=S)C1 ZINC000853535772 750087188 /nfs/dbraw/zinc/08/71/88/750087188.db2.gz BREAFTXIBWMBOT-OAHLLOKOSA-N 1 2 365.547 2.734 20 30 FFEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc(CCC(N)=O)n(CC(C)C)c2=S)C1 ZINC000853535772 750087194 /nfs/dbraw/zinc/08/71/94/750087194.db2.gz BREAFTXIBWMBOT-OAHLLOKOSA-N 1 2 365.547 2.734 20 30 FFEDLO Cc1cn(C(C)(C)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c[nH+]1 ZINC000896163676 971290976 /nfs/dbraw/zinc/29/09/76/971290976.db2.gz YOJUKVWFYFEOIH-UHFFFAOYSA-N 1 2 352.438 2.868 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001211655721 971726361 /nfs/dbraw/zinc/72/63/61/971726361.db2.gz VMQXSOSHGFAOHU-RBUKOAKNSA-N 1 2 366.465 2.656 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H]3CCN(C(=O)CC(C)(C)C)[C@@H]3C2)c1 ZINC001075552323 971760127 /nfs/dbraw/zinc/76/01/27/971760127.db2.gz CVFWKFGTLFHLSN-PKOBYXMFSA-N 1 2 367.493 2.575 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)CC(C)(C)C)[C@@H]3C2)c1 ZINC001075552323 971760130 /nfs/dbraw/zinc/76/01/30/971760130.db2.gz CVFWKFGTLFHLSN-PKOBYXMFSA-N 1 2 367.493 2.575 20 30 FFEDLO NC(=NOCc1cc(F)ccc1F)c1cccc(C[NH+]2CCOCC2)c1 ZINC000195478257 971964206 /nfs/dbraw/zinc/96/42/06/971964206.db2.gz ACKIXTLKGJSDMG-UHFFFAOYSA-N 1 2 361.392 2.634 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C(C)C)CC[C@@H]2C1 ZINC001088064871 972067083 /nfs/dbraw/zinc/06/70/83/972067083.db2.gz ZHEAWNKOWYDQBO-SJORKVTESA-N 1 2 359.518 2.742 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C(C)C)CC[C@@H]2C1 ZINC001088064871 972067087 /nfs/dbraw/zinc/06/70/87/972067087.db2.gz ZHEAWNKOWYDQBO-SJORKVTESA-N 1 2 359.518 2.742 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C(C)(C)C)o3)CC[C@@H]2C1 ZINC001088066279 972069135 /nfs/dbraw/zinc/06/91/35/972069135.db2.gz DSMQFVKJHODDSE-CABCVRRESA-N 1 2 360.502 2.860 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C(C)(C)C)o3)CC[C@@H]2C1 ZINC001088066279 972069136 /nfs/dbraw/zinc/06/91/36/972069136.db2.gz DSMQFVKJHODDSE-CABCVRRESA-N 1 2 360.502 2.860 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1conc1C ZINC001029508409 972378373 /nfs/dbraw/zinc/37/83/73/972378373.db2.gz BHKCPZPVNLIIJH-RDGPPVDQSA-N 1 2 359.470 2.530 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1conc1C ZINC001029508409 972378379 /nfs/dbraw/zinc/37/83/79/972378379.db2.gz BHKCPZPVNLIIJH-RDGPPVDQSA-N 1 2 359.470 2.530 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2nc3ccccc3o2)C1 ZINC000969683945 959757513 /nfs/dbraw/zinc/75/75/13/959757513.db2.gz HAYXENFAGYELAF-LESCRADOSA-N 1 2 369.465 2.746 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@H](C(F)F)CC2)cc1C ZINC000872269311 1013193621 /nfs/dbraw/zinc/19/36/21/1013193621.db2.gz PYSWGFJZNMTWRG-QGZVFWFLSA-N 1 2 365.424 2.906 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@H](C(F)F)CC2)cc1C ZINC000872269311 1013193626 /nfs/dbraw/zinc/19/36/26/1013193626.db2.gz PYSWGFJZNMTWRG-QGZVFWFLSA-N 1 2 365.424 2.906 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104238640 960306888 /nfs/dbraw/zinc/30/68/88/960306888.db2.gz LKYUACSSTVSQTH-OWQGQXMQSA-N 1 2 358.486 2.808 20 30 FFEDLO Cc1nc(NCc2cccc(C(=O)NCC#C[C@H]3CCCCO3)c2)cc[nH+]1 ZINC000891120897 962027564 /nfs/dbraw/zinc/02/75/64/962027564.db2.gz FUEUMXBDRNWCCX-LJQANCHMSA-N 1 2 364.449 2.699 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)cc(F)c1F ZINC001276046351 1013361461 /nfs/dbraw/zinc/36/14/61/1013361461.db2.gz XITSLNKFNPARSG-HZPDHXFCSA-N 1 2 351.372 2.973 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)cc(F)c1F ZINC001276046351 1013361475 /nfs/dbraw/zinc/36/14/75/1013361475.db2.gz XITSLNKFNPARSG-HZPDHXFCSA-N 1 2 351.372 2.973 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1n[nH]c2ccc(OC)cc21 ZINC001276067059 1013397655 /nfs/dbraw/zinc/39/76/55/1013397655.db2.gz JEGSWSFJZWIWIZ-RTBURBONSA-N 1 2 354.454 2.713 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1n[nH]c2ccc(OC)cc21 ZINC001276067059 1013397671 /nfs/dbraw/zinc/39/76/71/1013397671.db2.gz JEGSWSFJZWIWIZ-RTBURBONSA-N 1 2 354.454 2.713 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000060455160 963267214 /nfs/dbraw/zinc/26/72/14/963267214.db2.gz IZJYGEGLLBYENE-CYBMUJFWSA-N 1 2 359.401 2.543 20 30 FFEDLO CCn1c[nH+]c2c1CCN([C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)C2 ZINC000933259704 963765413 /nfs/dbraw/zinc/76/54/13/963765413.db2.gz QXEKGJPMDMWJEJ-KRWDZBQOSA-N 1 2 365.481 2.905 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+]([C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000891398452 963840720 /nfs/dbraw/zinc/84/07/20/963840720.db2.gz CQXSIKCPMWYUJV-GBESFXJTSA-N 1 2 359.445 2.503 20 30 FFEDLO CC(C)(C)c1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)no1 ZINC001075699123 964251976 /nfs/dbraw/zinc/25/19/76/964251976.db2.gz TVDWWQGSWRAUTI-SUMWQHHRSA-N 1 2 367.453 2.518 20 30 FFEDLO CC(C)(C)c1cc(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)no1 ZINC001075699123 964251982 /nfs/dbraw/zinc/25/19/82/964251982.db2.gz TVDWWQGSWRAUTI-SUMWQHHRSA-N 1 2 367.453 2.518 20 30 FFEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000134621929 964313864 /nfs/dbraw/zinc/31/38/64/964313864.db2.gz LOIPIOLKKFVXRP-YOEHRIQHSA-N 1 2 372.469 2.874 20 30 FFEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000134621929 964313868 /nfs/dbraw/zinc/31/38/68/964313868.db2.gz LOIPIOLKKFVXRP-YOEHRIQHSA-N 1 2 372.469 2.874 20 30 FFEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000134621883 964314930 /nfs/dbraw/zinc/31/49/30/964314930.db2.gz LOIPIOLKKFVXRP-WMLDXEAASA-N 1 2 372.469 2.874 20 30 FFEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000134621883 964314945 /nfs/dbraw/zinc/31/49/45/964314945.db2.gz LOIPIOLKKFVXRP-WMLDXEAASA-N 1 2 372.469 2.874 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001270756378 965879303 /nfs/dbraw/zinc/87/93/03/965879303.db2.gz KMSDTKSYUFFJOB-HXUWFJFHSA-N 1 2 352.438 2.736 20 30 FFEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCO[C@H]3c3ccccc3)C2)C1 ZINC000972415797 967038867 /nfs/dbraw/zinc/03/88/67/967038867.db2.gz AGFRFMDJBZREIH-URVUXULASA-N 1 2 370.493 2.644 20 30 FFEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCO[C@H]3c3ccccc3)C2)C1 ZINC000972415797 967038875 /nfs/dbraw/zinc/03/88/75/967038875.db2.gz AGFRFMDJBZREIH-URVUXULASA-N 1 2 370.493 2.644 20 30 FFEDLO CC[C@H](CO)Nc1cc(N2CCC(Oc3ccc(C#N)cc3)CC2)nc[nH+]1 ZINC000892326251 967218664 /nfs/dbraw/zinc/21/86/64/967218664.db2.gz WHYXRAHVSJSXPH-MRXNPFEDSA-N 1 2 367.453 2.579 20 30 FFEDLO CC[C@H](CO)Nc1cc(N2CCC(Oc3ccc(C#N)cc3)CC2)[nH+]cn1 ZINC000892326251 967218670 /nfs/dbraw/zinc/21/86/70/967218670.db2.gz WHYXRAHVSJSXPH-MRXNPFEDSA-N 1 2 367.453 2.579 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccc(F)nc2)[C@H]1CC ZINC001087520845 967610607 /nfs/dbraw/zinc/61/06/07/967610607.db2.gz YSTLCJRJSHXHCY-QWHCGFSZSA-N 1 2 356.239 2.712 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)nc2)[C@H]1CC ZINC001087520845 967610614 /nfs/dbraw/zinc/61/06/14/967610614.db2.gz YSTLCJRJSHXHCY-QWHCGFSZSA-N 1 2 356.239 2.712 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cccc2[nH+]ccn21 ZINC001270972952 967894336 /nfs/dbraw/zinc/89/43/36/967894336.db2.gz XPJUVKQEXWCFDA-FQEVSTJZSA-N 1 2 352.438 2.508 20 30 FFEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCC[C@@H](C3CC3)C2)nc[nH+]1 ZINC000329629793 967894478 /nfs/dbraw/zinc/89/44/78/967894478.db2.gz VGBGWFFKXBAHOT-HZPDHXFCSA-N 1 2 358.490 2.523 20 30 FFEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCC[C@@H](C3CC3)C2)[nH+]cn1 ZINC000329629793 967894487 /nfs/dbraw/zinc/89/44/87/967894487.db2.gz VGBGWFFKXBAHOT-HZPDHXFCSA-N 1 2 358.490 2.523 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CC(F)(F)C2)[C@H]1CC ZINC001087536353 967903961 /nfs/dbraw/zinc/90/39/61/967903961.db2.gz HTJBIPPJLDKGCA-NWDGAFQWSA-N 1 2 351.235 2.909 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CC(F)(F)C2)[C@H]1CC ZINC001087536353 967903966 /nfs/dbraw/zinc/90/39/66/967903966.db2.gz HTJBIPPJLDKGCA-NWDGAFQWSA-N 1 2 351.235 2.909 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccns2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001087590732 968275878 /nfs/dbraw/zinc/27/58/78/968275878.db2.gz UQRDJCYEICVDEF-JKSUJKDBSA-N 1 2 358.442 2.937 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccns2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001087590732 968275892 /nfs/dbraw/zinc/27/58/92/968275892.db2.gz UQRDJCYEICVDEF-JKSUJKDBSA-N 1 2 358.442 2.937 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2[nH]nc3c2CCC3)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001087637997 968447152 /nfs/dbraw/zinc/44/71/52/968447152.db2.gz VSEDXFZYLNHTGV-RBUKOAKNSA-N 1 2 363.465 2.553 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2[nH]nc3c2CCC3)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087637997 968447155 /nfs/dbraw/zinc/44/71/55/968447155.db2.gz VSEDXFZYLNHTGV-RBUKOAKNSA-N 1 2 363.465 2.553 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ncn2)[C@H]1CC ZINC001087655819 968505767 /nfs/dbraw/zinc/50/57/67/968505767.db2.gz WSYGIIWIOJPOQM-CMPLNLGQSA-N 1 2 362.783 2.831 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ncn2)[C@H]1CC ZINC001087655819 968505771 /nfs/dbraw/zinc/50/57/71/968505771.db2.gz WSYGIIWIOJPOQM-CMPLNLGQSA-N 1 2 362.783 2.831 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C)on1 ZINC001024695011 969262270 /nfs/dbraw/zinc/26/22/70/969262270.db2.gz OHTWSGSEHONBGW-QYZOEREBSA-N 1 2 361.486 2.825 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(C)on1 ZINC001024695011 969262276 /nfs/dbraw/zinc/26/22/76/969262276.db2.gz OHTWSGSEHONBGW-QYZOEREBSA-N 1 2 361.486 2.825 20 30 FFEDLO CCOc1ccccc1[C@H](CC)NC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000178150558 969462350 /nfs/dbraw/zinc/46/23/50/969462350.db2.gz ABXCCGSUVIAEDI-KRWDZBQOSA-N 1 2 355.438 2.990 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnsc2Cl)C1 ZINC001104552981 969617761 /nfs/dbraw/zinc/61/77/61/969617761.db2.gz RROCCVITSBVAHL-ZIAGYGMSSA-N 1 2 368.934 2.959 20 30 FFEDLO C[C@H](CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]21)C1CC1 ZINC001083285857 970420880 /nfs/dbraw/zinc/42/08/80/970420880.db2.gz IKUDDBNEVDMOIZ-TYCQWZJGSA-N 1 2 370.468 2.525 20 30 FFEDLO C[C@H](CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]21)C1CC1 ZINC001083285857 970420886 /nfs/dbraw/zinc/42/08/86/970420886.db2.gz IKUDDBNEVDMOIZ-TYCQWZJGSA-N 1 2 370.468 2.525 20 30 FFEDLO Cc1cccn2c(/C=C/C(=O)c3cccc(S(=O)(=O)N(C)C)c3)c[nH+]c12 ZINC000125343438 1014001998 /nfs/dbraw/zinc/00/19/98/1014001998.db2.gz YSBPHRRWVGEULL-MDZDMXLPSA-N 1 2 369.446 2.789 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC23CCOCC3)[C@H]1CC ZINC001087852468 970626046 /nfs/dbraw/zinc/62/60/46/970626046.db2.gz VHBXQLJLECUCHT-SOUVJXGZSA-N 1 2 371.319 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC23CCOCC3)[C@H]1CC ZINC001087852468 970626052 /nfs/dbraw/zinc/62/60/52/970626052.db2.gz VHBXQLJLECUCHT-SOUVJXGZSA-N 1 2 371.319 2.681 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+]([C@H](C)c4nnc(CC)[nH]4)CC[C@@H]3C2)C1 ZINC001088098540 972784053 /nfs/dbraw/zinc/78/40/53/972784053.db2.gz OSKSWNYPXKPXLW-OAGGEKHMSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)c4nnc(CC)[nH]4)CC[C@@H]3C2)C1 ZINC001088098540 972784066 /nfs/dbraw/zinc/78/40/66/972784066.db2.gz OSKSWNYPXKPXLW-OAGGEKHMSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2CC)CC1 ZINC000985409722 973991197 /nfs/dbraw/zinc/99/11/97/973991197.db2.gz NPIQHNYBKZWHQR-ZWKOTPCHSA-N 1 2 358.486 2.584 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2CC)CC1 ZINC000985409722 973991203 /nfs/dbraw/zinc/99/12/03/973991203.db2.gz NPIQHNYBKZWHQR-ZWKOTPCHSA-N 1 2 358.486 2.584 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cn1 ZINC000728857169 975507893 /nfs/dbraw/zinc/50/78/93/975507893.db2.gz HXMOOUYIXBCKOR-UHFFFAOYSA-N 1 2 369.852 2.553 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC001087432483 976134439 /nfs/dbraw/zinc/13/44/39/976134439.db2.gz RMFWACMDZJCOQD-RTBURBONSA-N 1 2 352.434 2.647 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC001087432483 976134449 /nfs/dbraw/zinc/13/44/49/976134449.db2.gz RMFWACMDZJCOQD-RTBURBONSA-N 1 2 352.434 2.647 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C3(C)CCCC3)[C@H]2C)c1 ZINC001088780243 976155143 /nfs/dbraw/zinc/15/51/43/976155143.db2.gz XAFINVRUCDSPHV-APWZRJJASA-N 1 2 367.493 2.766 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C3(C)CCCC3)[C@H]2C)c1 ZINC001088780243 976155149 /nfs/dbraw/zinc/15/51/49/976155149.db2.gz XAFINVRUCDSPHV-APWZRJJASA-N 1 2 367.493 2.766 20 30 FFEDLO O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981608060 976647136 /nfs/dbraw/zinc/64/71/36/976647136.db2.gz MVXWKYVHZQUMQT-FCHUYYIVSA-N 1 2 366.505 2.635 20 30 FFEDLO O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981608060 976647143 /nfs/dbraw/zinc/64/71/43/976647143.db2.gz MVXWKYVHZQUMQT-FCHUYYIVSA-N 1 2 366.505 2.635 20 30 FFEDLO C[C@@H]1CC2(CC(N3CC(=O)C(=C4N(C)c5ccccc5N4C)C3=[NH2+])C2)CO1 ZINC000899237416 977044851 /nfs/dbraw/zinc/04/48/51/977044851.db2.gz MVVOYROBZANTFV-QQKMHPFRSA-N 1 2 366.465 2.604 20 30 FFEDLO Cc1[nH]c(C2CCN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)CC2)[nH+]c1C ZINC000899508344 977197902 /nfs/dbraw/zinc/19/79/02/977197902.db2.gz CEAVFHYFADQXSU-LJQANCHMSA-N 1 2 361.449 2.987 20 30 FFEDLO Cc1noc2ncc(C[NH+]3CCN(c4ccc(C#N)cc4F)CC3)cc12 ZINC000893977901 977621305 /nfs/dbraw/zinc/62/13/05/977621305.db2.gz NACUCKUPZVKPLB-UHFFFAOYSA-N 1 2 351.385 2.864 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001087452614 977703722 /nfs/dbraw/zinc/70/37/22/977703722.db2.gz BUPJXKVCLHFHTN-CGTJXYLNSA-N 1 2 366.864 2.889 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001087452614 977703729 /nfs/dbraw/zinc/70/37/29/977703729.db2.gz BUPJXKVCLHFHTN-CGTJXYLNSA-N 1 2 366.864 2.889 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccccc2O)C1 ZINC001087452553 977709049 /nfs/dbraw/zinc/70/90/49/977709049.db2.gz ZLAKEOQZTXDEOR-IEBWSBKVSA-N 1 2 352.409 2.752 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccccc2O)C1 ZINC001087452553 977709059 /nfs/dbraw/zinc/70/90/59/977709059.db2.gz ZLAKEOQZTXDEOR-IEBWSBKVSA-N 1 2 352.409 2.752 20 30 FFEDLO Cc1nc(C)c(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)o1 ZINC001075643727 977900852 /nfs/dbraw/zinc/90/08/52/977900852.db2.gz JAXGHWYUVUHYOK-MAUKXSAKSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1nc(C)c(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)o1 ZINC001075643727 977900859 /nfs/dbraw/zinc/90/08/59/977900859.db2.gz JAXGHWYUVUHYOK-MAUKXSAKSA-N 1 2 368.412 2.649 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2csnc2C)C1 ZINC001087463940 978258643 /nfs/dbraw/zinc/25/86/43/978258643.db2.gz IUYCISXTUXEBPI-SJLPKXTDSA-N 1 2 357.454 2.812 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2csnc2C)C1 ZINC001087463940 978258645 /nfs/dbraw/zinc/25/86/45/978258645.db2.gz IUYCISXTUXEBPI-SJLPKXTDSA-N 1 2 357.454 2.812 20 30 FFEDLO Cn1ccc(C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4Cl)C[C@H]32)c1 ZINC001075685130 978450521 /nfs/dbraw/zinc/45/05/21/978450521.db2.gz OQCHJTACIDCCBK-FXAWDEMLSA-N 1 2 367.880 2.877 20 30 FFEDLO Cn1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4Cl)C[C@H]32)c1 ZINC001075685130 978450524 /nfs/dbraw/zinc/45/05/24/978450524.db2.gz OQCHJTACIDCCBK-FXAWDEMLSA-N 1 2 367.880 2.877 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(Br)co3)[C@@H]2C1 ZINC001076324854 979368435 /nfs/dbraw/zinc/36/84/35/979368435.db2.gz DANNJDXMOLBWLX-CMPLNLGQSA-N 1 2 359.651 2.941 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(Br)co3)[C@@H]2C1 ZINC001076324854 979368444 /nfs/dbraw/zinc/36/84/44/979368444.db2.gz DANNJDXMOLBWLX-CMPLNLGQSA-N 1 2 359.651 2.941 20 30 FFEDLO CCc1ocnc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088499458 980088079 /nfs/dbraw/zinc/08/80/79/980088079.db2.gz BZDPBXUPPMILIO-PBHICJAKSA-N 1 2 355.413 2.620 20 30 FFEDLO CCc1ocnc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088499458 980088091 /nfs/dbraw/zinc/08/80/91/980088091.db2.gz BZDPBXUPPMILIO-PBHICJAKSA-N 1 2 355.413 2.620 20 30 FFEDLO Cc1nscc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001088532134 980455651 /nfs/dbraw/zinc/45/56/51/980455651.db2.gz BKAALWAFLZKZGW-PXAZEXFGSA-N 1 2 358.442 2.855 20 30 FFEDLO Cc1nscc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001088532134 980455655 /nfs/dbraw/zinc/45/56/55/980455655.db2.gz BKAALWAFLZKZGW-PXAZEXFGSA-N 1 2 358.442 2.855 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000905535856 980459032 /nfs/dbraw/zinc/45/90/32/980459032.db2.gz DPHRAUWIVHJYML-MOXGXCLJSA-N 1 2 356.397 2.554 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nnc(CC)o3)C[C@H]21 ZINC001075885298 980477659 /nfs/dbraw/zinc/47/76/59/980477659.db2.gz PUJWUZGPMOTEID-HLLBOEOZSA-N 1 2 369.469 2.527 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nnc(CC)o3)C[C@H]21 ZINC001075885298 980477662 /nfs/dbraw/zinc/47/76/62/980477662.db2.gz PUJWUZGPMOTEID-HLLBOEOZSA-N 1 2 369.469 2.527 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CCCCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000987066078 980478559 /nfs/dbraw/zinc/47/85/59/980478559.db2.gz FJXJKZLQRVKGCH-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CCCCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000987066078 980478563 /nfs/dbraw/zinc/47/85/63/980478563.db2.gz FJXJKZLQRVKGCH-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNCc2cc(C#N)cnc2Cl)C1 ZINC000877708764 1014693590 /nfs/dbraw/zinc/69/35/90/1014693590.db2.gz VKPBVJVPWWGYHE-IBGZPJMESA-N 1 2 370.884 2.906 20 30 FFEDLO Cc1ccccc1C[N@H+]1CCO[C@@H](CNCc2cc(C#N)cnc2Cl)C1 ZINC000877708764 1014693597 /nfs/dbraw/zinc/69/35/97/1014693597.db2.gz VKPBVJVPWWGYHE-IBGZPJMESA-N 1 2 370.884 2.906 20 30 FFEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001212008859 981453458 /nfs/dbraw/zinc/45/34/58/981453458.db2.gz HTMQPPJWQXBLAC-NIKGAXFTSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001212008859 981453463 /nfs/dbraw/zinc/45/34/63/981453463.db2.gz HTMQPPJWQXBLAC-NIKGAXFTSA-N 1 2 361.461 2.839 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)/C=C/C(C)(C)C ZINC001212047523 981475563 /nfs/dbraw/zinc/47/55/63/981475563.db2.gz KDCSGQBIAOFAOT-MCBHFWOFSA-N 1 2 358.457 2.595 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)/C=C/C(C)(C)C ZINC001212047523 981475565 /nfs/dbraw/zinc/47/55/65/981475565.db2.gz KDCSGQBIAOFAOT-MCBHFWOFSA-N 1 2 358.457 2.595 20 30 FFEDLO CCC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001212055486 981478708 /nfs/dbraw/zinc/47/87/08/981478708.db2.gz LNLNCCWNEHIHML-KFKAGJAMSA-N 1 2 362.901 2.943 20 30 FFEDLO CCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001212055486 981478709 /nfs/dbraw/zinc/47/87/09/981478709.db2.gz LNLNCCWNEHIHML-KFKAGJAMSA-N 1 2 362.901 2.943 20 30 FFEDLO C=CCN1CC2(CCC1=O)CCN(C(=O)c1c[nH]c3cc[nH+]cc13)CC2 ZINC001272122451 981696968 /nfs/dbraw/zinc/69/69/68/981696968.db2.gz AWOIDGCWUFXPCR-UHFFFAOYSA-N 1 2 352.438 2.594 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3c(C)nn(C)c3Cl)[C@@H]2C)C1 ZINC001088839742 981776994 /nfs/dbraw/zinc/77/69/94/981776994.db2.gz CJGSJISSLFOYNY-HIFRSBDPSA-N 1 2 350.894 2.817 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3c(C)nn(C)c3Cl)[C@@H]2C)C1 ZINC001088839742 981777001 /nfs/dbraw/zinc/77/70/01/981777001.db2.gz CJGSJISSLFOYNY-HIFRSBDPSA-N 1 2 350.894 2.817 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1coc(C)n1 ZINC000969064106 1014783125 /nfs/dbraw/zinc/78/31/25/1014783125.db2.gz CHJFCWWNNUYZIZ-QYZOEREBSA-N 1 2 361.486 2.825 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1Cc1coc(C)n1 ZINC000969064106 1014783139 /nfs/dbraw/zinc/78/31/39/1014783139.db2.gz CHJFCWWNNUYZIZ-QYZOEREBSA-N 1 2 361.486 2.825 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)[C@H](C)C3CCC3)[C@H]2C)c1 ZINC001088655383 982203703 /nfs/dbraw/zinc/20/37/03/982203703.db2.gz WQMMVUOQSFLZQK-QINHECLXSA-N 1 2 367.493 2.622 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)[C@H](C)C3CCC3)[C@H]2C)c1 ZINC001088655383 982203711 /nfs/dbraw/zinc/20/37/11/982203711.db2.gz WQMMVUOQSFLZQK-QINHECLXSA-N 1 2 367.493 2.622 20 30 FFEDLO CC(C)(C)c1cnc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000760438725 982405991 /nfs/dbraw/zinc/40/59/91/982405991.db2.gz YYQWXPAKGFZQSC-UHFFFAOYSA-N 1 2 372.469 2.641 20 30 FFEDLO CCC(=CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC)CC ZINC001212109345 982723218 /nfs/dbraw/zinc/72/32/18/982723218.db2.gz IQUBKWDZNDFYMG-WOJBJXKFSA-N 1 2 358.457 2.739 20 30 FFEDLO CCC(=CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC)CC ZINC001212109345 982723221 /nfs/dbraw/zinc/72/32/21/982723221.db2.gz IQUBKWDZNDFYMG-WOJBJXKFSA-N 1 2 358.457 2.739 20 30 FFEDLO C=C(C)C[C@H](CO)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000878300820 1014975404 /nfs/dbraw/zinc/97/54/04/1014975404.db2.gz OCSSLPNZZSQZPG-JFIYKMOQSA-N 1 2 361.486 2.744 20 30 FFEDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000072979221 983969538 /nfs/dbraw/zinc/96/95/38/983969538.db2.gz PMSGLDGKGMOERB-IAGOWNOFSA-N 1 2 364.449 2.971 20 30 FFEDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000072979221 983969542 /nfs/dbraw/zinc/96/95/42/983969542.db2.gz PMSGLDGKGMOERB-IAGOWNOFSA-N 1 2 364.449 2.971 20 30 FFEDLO CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncc(Cl)n1C)CC2 ZINC001107393624 984501304 /nfs/dbraw/zinc/50/13/04/984501304.db2.gz LZVBVOFACIFGAJ-DNVCBOLYSA-N 1 2 362.905 2.594 20 30 FFEDLO CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncc(Cl)n1C)CC2 ZINC001107393624 984501306 /nfs/dbraw/zinc/50/13/06/984501306.db2.gz LZVBVOFACIFGAJ-DNVCBOLYSA-N 1 2 362.905 2.594 20 30 FFEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](CCOC)C2CCCC2)c1=S ZINC000764949280 984847048 /nfs/dbraw/zinc/84/70/48/984847048.db2.gz VWBVEMHOMVTYSM-UHFFFAOYSA-N 1 2 374.514 2.906 20 30 FFEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](CCOC)C2CCCC2)c1=S ZINC000764949280 984847062 /nfs/dbraw/zinc/84/70/62/984847062.db2.gz VWBVEMHOMVTYSM-UHFFFAOYSA-N 1 2 374.514 2.906 20 30 FFEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)C2CCC(OC)CC2)c1=S ZINC000764988294 984902455 /nfs/dbraw/zinc/90/24/55/984902455.db2.gz HGTUIURUCSBCLE-UHFFFAOYSA-N 1 2 374.514 2.904 20 30 FFEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)C2CCC(OC)CC2)c1=S ZINC000764988294 984902458 /nfs/dbraw/zinc/90/24/58/984902458.db2.gz HGTUIURUCSBCLE-UHFFFAOYSA-N 1 2 374.514 2.904 20 30 FFEDLO CCc1ncoc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088844686 984966561 /nfs/dbraw/zinc/96/65/61/984966561.db2.gz BBDYWGNOURVGNM-PXAZEXFGSA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1ncoc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088844686 984966568 /nfs/dbraw/zinc/96/65/68/984966568.db2.gz BBDYWGNOURVGNM-PXAZEXFGSA-N 1 2 356.401 2.641 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C(C)C)o2)[C@@H]1C ZINC001088913766 985437659 /nfs/dbraw/zinc/43/76/59/985437659.db2.gz OMJPKEJJYCWNSF-DRMAHVMPSA-N 1 2 361.486 2.858 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncc(C(C)C)o2)[C@@H]1C ZINC001088913766 985437662 /nfs/dbraw/zinc/43/76/62/985437662.db2.gz OMJPKEJJYCWNSF-DRMAHVMPSA-N 1 2 361.486 2.858 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)c1 ZINC000172756208 985660311 /nfs/dbraw/zinc/66/03/11/985660311.db2.gz LTJLPOIHTQRIMN-LJQANCHMSA-N 1 2 363.417 2.564 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)c1 ZINC000172756208 985660319 /nfs/dbraw/zinc/66/03/19/985660319.db2.gz LTJLPOIHTQRIMN-LJQANCHMSA-N 1 2 363.417 2.564 20 30 FFEDLO C[C@@H]1Cc2ccccc2C[N@@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000172926559 985715245 /nfs/dbraw/zinc/71/52/45/985715245.db2.gz QVFUSJDNSDSCAO-MRXNPFEDSA-N 1 2 374.444 2.727 20 30 FFEDLO C[C@@H]1Cc2ccccc2C[N@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000172926559 985715263 /nfs/dbraw/zinc/71/52/63/985715263.db2.gz QVFUSJDNSDSCAO-MRXNPFEDSA-N 1 2 374.444 2.727 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(O)ccc3Cl)[C@@H]2C)nc1 ZINC001088990954 985788438 /nfs/dbraw/zinc/78/84/38/985788438.db2.gz YWFIOIPVCXTJRO-ACJLOTCBSA-N 1 2 369.852 2.815 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(O)ccc3Cl)[C@@H]2C)nc1 ZINC001088990954 985788448 /nfs/dbraw/zinc/78/84/48/985788448.db2.gz YWFIOIPVCXTJRO-ACJLOTCBSA-N 1 2 369.852 2.815 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cc2ccccc2OC)[C@H]1C ZINC001089024907 985986587 /nfs/dbraw/zinc/98/65/87/985986587.db2.gz CMOOTPRLFSKSJT-HIFRSBDPSA-N 1 2 367.287 2.725 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2OC)[C@H]1C ZINC001089024907 985986597 /nfs/dbraw/zinc/98/65/97/985986597.db2.gz CMOOTPRLFSKSJT-HIFRSBDPSA-N 1 2 367.287 2.725 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001089034925 986041360 /nfs/dbraw/zinc/04/13/60/986041360.db2.gz XOBWYIFQMFEKPG-BEFAXECRSA-N 1 2 351.450 2.790 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001089034925 986041370 /nfs/dbraw/zinc/04/13/70/986041370.db2.gz XOBWYIFQMFEKPG-BEFAXECRSA-N 1 2 351.450 2.790 20 30 FFEDLO C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cccc4[nH+]ccn42)C3)C1 ZINC000998317216 986059089 /nfs/dbraw/zinc/05/90/89/986059089.db2.gz SYIHBFGKADWWJC-PMPSAXMXSA-N 1 2 364.449 2.552 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2c(C)cc(=O)[nH]c2C)[C@H]1C ZINC001089053804 986117337 /nfs/dbraw/zinc/11/73/37/986117337.db2.gz NQLYDZOIXSDVTM-OLZOCXBDSA-N 1 2 368.275 2.505 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2c(C)cc(=O)[nH]c2C)[C@H]1C ZINC001089053804 986117338 /nfs/dbraw/zinc/11/73/38/986117338.db2.gz NQLYDZOIXSDVTM-OLZOCXBDSA-N 1 2 368.275 2.505 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(OC)c(OC)cc2C)[C@H]1C ZINC001089054289 986118214 /nfs/dbraw/zinc/11/82/14/986118214.db2.gz JPSALIGBRYLCNO-HIFRSBDPSA-N 1 2 352.862 2.957 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(OC)c(OC)cc2C)[C@H]1C ZINC001089054289 986118220 /nfs/dbraw/zinc/11/82/20/986118220.db2.gz JPSALIGBRYLCNO-HIFRSBDPSA-N 1 2 352.862 2.957 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2COc3ccccc32)[C@H]1C ZINC001089074712 986221310 /nfs/dbraw/zinc/22/13/10/986221310.db2.gz UBTLUGHKDFMWGI-SNPRPXQTSA-N 1 2 365.271 2.650 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COc3ccccc32)[C@H]1C ZINC001089074712 986221320 /nfs/dbraw/zinc/22/13/20/986221320.db2.gz UBTLUGHKDFMWGI-SNPRPXQTSA-N 1 2 365.271 2.650 20 30 FFEDLO C[C@H](C[NH+]1CCN(c2ccc(C#N)cc2F)CC1)NC(=O)OC(C)(C)C ZINC000785444719 986373181 /nfs/dbraw/zinc/37/31/81/986373181.db2.gz TUHVDVLGMDQQMI-CQSZACIVSA-N 1 2 362.449 2.733 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2CC)CC2(CCOCC2)C1 ZINC001089942715 986497605 /nfs/dbraw/zinc/49/76/05/986497605.db2.gz AUNMTWXUTTZTSP-IKGGRYGDSA-N 1 2 370.921 2.541 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2CC)CC2(CCOCC2)C1 ZINC001089942715 986497611 /nfs/dbraw/zinc/49/76/11/986497611.db2.gz AUNMTWXUTTZTSP-IKGGRYGDSA-N 1 2 370.921 2.541 20 30 FFEDLO N#C[C@]1(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC2CCC1CC2 ZINC000913713611 986854496 /nfs/dbraw/zinc/85/44/96/986854496.db2.gz DLSMFPFDXNHDQH-MKJPBZQASA-N 1 2 370.522 2.971 20 30 FFEDLO C=CCCC[C@@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)c1ccccc1 ZINC000878927467 1015285913 /nfs/dbraw/zinc/28/59/13/1015285913.db2.gz WUNUWVWGGXYFET-HXUWFJFHSA-N 1 2 367.497 2.562 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001061093711 987355361 /nfs/dbraw/zinc/35/53/61/987355361.db2.gz KUXRFTAHHVQEIU-BRWVUGGUSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001061093711 987355366 /nfs/dbraw/zinc/35/53/66/987355366.db2.gz KUXRFTAHHVQEIU-BRWVUGGUSA-N 1 2 370.497 2.567 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)CC2CCCCCC2)[C@@H](O)C1 ZINC001083816193 987694397 /nfs/dbraw/zinc/69/43/97/987694397.db2.gz GHRWPPKHGWIBLA-UXHICEINSA-N 1 2 355.482 2.580 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)CC2CCCCCC2)[C@@H](O)C1 ZINC001083816193 987694402 /nfs/dbraw/zinc/69/44/02/987694402.db2.gz GHRWPPKHGWIBLA-UXHICEINSA-N 1 2 355.482 2.580 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ncc(CC)o2)CC1 ZINC001003763533 988275048 /nfs/dbraw/zinc/27/50/48/988275048.db2.gz NTHVCBIVKBPHOL-HKUYNNGSSA-N 1 2 361.486 2.689 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3[nH+]ccn31)C2 ZINC001004076918 988529518 /nfs/dbraw/zinc/52/95/18/988529518.db2.gz QJEXNFVKCWAFTG-YUWJWYLASA-N 1 2 366.465 2.798 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108065893 988658676 /nfs/dbraw/zinc/65/86/76/988658676.db2.gz DJORBYDEDGLPSQ-KNKQGSTJSA-N 1 2 369.509 2.948 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108065893 988658684 /nfs/dbraw/zinc/65/86/84/988658684.db2.gz DJORBYDEDGLPSQ-KNKQGSTJSA-N 1 2 369.509 2.948 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCCO2)C1 ZINC001098794161 989035531 /nfs/dbraw/zinc/03/55/31/989035531.db2.gz VXRCRPYNDQBOEX-CUWPLCDZSA-N 1 2 371.456 2.737 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCCO2)C1 ZINC001098794161 989035537 /nfs/dbraw/zinc/03/55/37/989035537.db2.gz VXRCRPYNDQBOEX-CUWPLCDZSA-N 1 2 371.456 2.737 20 30 FFEDLO C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCCCn1cc[nH+]c1 ZINC000673740166 989205091 /nfs/dbraw/zinc/20/50/91/989205091.db2.gz BHAPDCHIYNJJIH-UHFFFAOYSA-N 1 2 365.437 2.844 20 30 FFEDLO Cc1ncsc1C[NH+]1CC2(CN(C(=O)CCc3ccc(C#N)cc3)C2)C1 ZINC001273104045 989220201 /nfs/dbraw/zinc/22/02/01/989220201.db2.gz CJEMPNNLATWSON-UHFFFAOYSA-N 1 2 366.490 2.600 20 30 FFEDLO C[C@@H](C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000785473070 989669580 /nfs/dbraw/zinc/66/95/80/989669580.db2.gz CTUPHUSXGRIVKI-FUHWJXTLSA-N 1 2 358.486 2.782 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000994238262 989705987 /nfs/dbraw/zinc/70/59/87/989705987.db2.gz AIUALAYTPVNUAM-UKRRQHHQSA-N 1 2 354.454 2.599 20 30 FFEDLO CCN(C(=O)[C@H]1OCC[C@H]1C)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033954913 989853228 /nfs/dbraw/zinc/85/32/28/989853228.db2.gz UMTBNLPINIGYLG-CCKFTAQKSA-N 1 2 359.445 2.545 20 30 FFEDLO CCN(C(=O)[C@H]1OCC[C@H]1C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033954913 989853234 /nfs/dbraw/zinc/85/32/34/989853234.db2.gz UMTBNLPINIGYLG-CCKFTAQKSA-N 1 2 359.445 2.545 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ncc(C(C)C)o2)C1 ZINC001033959500 989859194 /nfs/dbraw/zinc/85/91/94/989859194.db2.gz DGSVTIZUFMLGQA-ZACQAIPSSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC001033959500 989859201 /nfs/dbraw/zinc/85/92/01/989859201.db2.gz DGSVTIZUFMLGQA-ZACQAIPSSA-N 1 2 361.486 2.812 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001034403466 990059218 /nfs/dbraw/zinc/05/92/18/990059218.db2.gz GZNTXEJJSZFSSW-ZMYBRWDISA-N 1 2 359.445 2.593 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001034403466 990059226 /nfs/dbraw/zinc/05/92/26/990059226.db2.gz GZNTXEJJSZFSSW-ZMYBRWDISA-N 1 2 359.445 2.593 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001034403457 990059836 /nfs/dbraw/zinc/05/98/36/990059836.db2.gz GSOVABYCAAQAAZ-AQNXPRMDSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001034403457 990059839 /nfs/dbraw/zinc/05/98/39/990059839.db2.gz GSOVABYCAAQAAZ-AQNXPRMDSA-N 1 2 371.456 2.759 20 30 FFEDLO N#Cc1cnn2cc(C[NH2+]Cc3nn(-c4ccccc4)c4c3CCC4)cnc12 ZINC000917140057 990156239 /nfs/dbraw/zinc/15/62/39/990156239.db2.gz IMMCALIHSNODOB-UHFFFAOYSA-N 1 2 369.432 2.565 20 30 FFEDLO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000917553497 990242682 /nfs/dbraw/zinc/24/26/82/990242682.db2.gz XUKZHXAXBQQSKR-UHFFFAOYSA-N 1 2 369.494 2.693 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1n1ccnn1 ZINC001129019821 990297433 /nfs/dbraw/zinc/29/74/33/990297433.db2.gz AENNDLRQPGJAHJ-MSOLQXFVSA-N 1 2 371.460 2.561 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1n1ccnn1 ZINC001129019821 990297440 /nfs/dbraw/zinc/29/74/40/990297440.db2.gz AENNDLRQPGJAHJ-MSOLQXFVSA-N 1 2 371.460 2.561 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879499641 1015564412 /nfs/dbraw/zinc/56/44/12/1015564412.db2.gz AGZCDWJAVXATFU-DNVCBOLYSA-N 1 2 361.449 2.765 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879499641 1015564418 /nfs/dbraw/zinc/56/44/18/1015564418.db2.gz AGZCDWJAVXATFU-DNVCBOLYSA-N 1 2 361.449 2.765 20 30 FFEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC001035552559 990503448 /nfs/dbraw/zinc/50/34/48/990503448.db2.gz XYPMYHFAIVDZKU-QHAWAJNXSA-N 1 2 350.462 2.946 20 30 FFEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC001035552559 990503452 /nfs/dbraw/zinc/50/34/52/990503452.db2.gz XYPMYHFAIVDZKU-QHAWAJNXSA-N 1 2 350.462 2.946 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001061886741 990507340 /nfs/dbraw/zinc/50/73/40/990507340.db2.gz DXLOCORCCIMRCA-LJHODMEESA-N 1 2 358.486 2.805 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879549502 1015584220 /nfs/dbraw/zinc/58/42/20/1015584220.db2.gz RYTAFOSUSRXPRE-VLIAUNLRSA-N 1 2 373.501 2.959 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(CC)[nH+]c(C)n1 ZINC001062593365 990723367 /nfs/dbraw/zinc/72/33/67/990723367.db2.gz IFKDIRQGSUEQAD-JPLJXNOCSA-N 1 2 370.497 2.508 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]c(CC)n1 ZINC001062593437 990723473 /nfs/dbraw/zinc/72/34/73/990723473.db2.gz MGUYJUQUDFITJQ-BOSXTWCSSA-N 1 2 370.497 2.508 20 30 FFEDLO CN1CC[NH+](Cc2cccc(NC(=O)/C=C\c3ccccc3C#N)c2)CC1 ZINC000919937906 990766451 /nfs/dbraw/zinc/76/64/51/990766451.db2.gz XMYOOTLKXIIHRP-KTKRTIGZSA-N 1 2 360.461 2.958 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000920416462 990845779 /nfs/dbraw/zinc/84/57/79/990845779.db2.gz LTMVDRHKWCIXKJ-LZQZEXGQSA-N 1 2 362.433 2.867 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000920416462 990845782 /nfs/dbraw/zinc/84/57/82/990845782.db2.gz LTMVDRHKWCIXKJ-LZQZEXGQSA-N 1 2 362.433 2.867 20 30 FFEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001031685203 990984236 /nfs/dbraw/zinc/98/42/36/990984236.db2.gz SPNPNMKQETYSKI-SLYNCCJLSA-N 1 2 352.453 2.828 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCCN(c2cc[nH+]c(C)n2)C1 ZINC001063236728 991408269 /nfs/dbraw/zinc/40/82/69/991408269.db2.gz GGBAPGHHYSQYFK-AOIWGVFYSA-N 1 2 358.486 2.631 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001063562839 991511162 /nfs/dbraw/zinc/51/11/62/991511162.db2.gz VFJPBTWSHGOORL-ZACQAIPSSA-N 1 2 356.470 2.656 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001484438361 991587818 /nfs/dbraw/zinc/58/78/18/991587818.db2.gz PNAJMRXUJKVBBR-ZMSDIMECSA-N 1 2 354.903 2.547 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001484438361 991587825 /nfs/dbraw/zinc/58/78/25/991587825.db2.gz PNAJMRXUJKVBBR-ZMSDIMECSA-N 1 2 354.903 2.547 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2Cl)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079537966 992174975 /nfs/dbraw/zinc/17/49/75/992174975.db2.gz MROVZUMOPBHLRZ-BDJLRTHQSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2Cl)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079537966 992174984 /nfs/dbraw/zinc/17/49/84/992174984.db2.gz MROVZUMOPBHLRZ-BDJLRTHQSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588572 992231962 /nfs/dbraw/zinc/23/19/62/992231962.db2.gz JJIVNOOGVYQCCM-AUUYWEPGSA-N 1 2 366.852 2.642 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588572 992231973 /nfs/dbraw/zinc/23/19/73/992231973.db2.gz JJIVNOOGVYQCCM-AUUYWEPGSA-N 1 2 366.852 2.642 20 30 FFEDLO CCC(CC)n1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001079599992 992249197 /nfs/dbraw/zinc/24/91/97/992249197.db2.gz LFZBALXABVFOQN-AUUYWEPGSA-N 1 2 368.485 2.694 20 30 FFEDLO CCC(CC)n1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001079599992 992249204 /nfs/dbraw/zinc/24/92/04/992249204.db2.gz LFZBALXABVFOQN-AUUYWEPGSA-N 1 2 368.485 2.694 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001079719770 992358255 /nfs/dbraw/zinc/35/82/55/992358255.db2.gz ASCKZUXURKVTHR-DZUCGIPZSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001079719770 992358264 /nfs/dbraw/zinc/35/82/64/992358264.db2.gz ASCKZUXURKVTHR-DZUCGIPZSA-N 1 2 363.889 2.653 20 30 FFEDLO C#CCOc1ccccc1C[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000763619069 992454178 /nfs/dbraw/zinc/45/41/78/992454178.db2.gz HGUXSGOZFKXNEI-UHFFFAOYSA-N 1 2 361.367 2.833 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c2CCCC3)C1 ZINC001079873994 992516931 /nfs/dbraw/zinc/51/69/31/992516931.db2.gz ZQYPUCMCULLXLY-IUODEOHRSA-N 1 2 366.303 2.783 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c2CCCC3)C1 ZINC001079873994 992516940 /nfs/dbraw/zinc/51/69/40/992516940.db2.gz ZQYPUCMCULLXLY-IUODEOHRSA-N 1 2 366.303 2.783 20 30 FFEDLO CCc1n[nH]c(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)c1Cl ZINC001079874746 992517027 /nfs/dbraw/zinc/51/70/27/992517027.db2.gz BHQLUKODYXRCTK-RHSMWYFYSA-N 1 2 370.884 2.727 20 30 FFEDLO CCc1n[nH]c(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)c1Cl ZINC001079874746 992517034 /nfs/dbraw/zinc/51/70/34/992517034.db2.gz BHQLUKODYXRCTK-RHSMWYFYSA-N 1 2 370.884 2.727 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2nc3cc(C)ccc3s2)C1 ZINC001031988306 992522257 /nfs/dbraw/zinc/52/22/57/992522257.db2.gz UEHPWWNUQMBQAT-WBVHZDCISA-N 1 2 371.506 2.744 20 30 FFEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3c3ccco3)C2)c(F)c1 ZINC001031994218 992550339 /nfs/dbraw/zinc/55/03/39/992550339.db2.gz QXYWAFYVGIBQOD-IAGOWNOFSA-N 1 2 353.397 2.642 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC001079983840 992616263 /nfs/dbraw/zinc/61/62/63/992616263.db2.gz RDTIYQYSVVVYIO-BXKDBHETSA-N 1 2 351.235 2.767 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC001079983840 992616267 /nfs/dbraw/zinc/61/62/67/992616267.db2.gz RDTIYQYSVVVYIO-BXKDBHETSA-N 1 2 351.235 2.767 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1cc(F)c[nH]1 ZINC001080152373 992775628 /nfs/dbraw/zinc/77/56/28/992775628.db2.gz XZUMSVBQKQWXJS-FZKQIMNGSA-N 1 2 359.832 2.909 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1cc(F)c[nH]1 ZINC001080152373 992775632 /nfs/dbraw/zinc/77/56/32/992775632.db2.gz XZUMSVBQKQWXJS-FZKQIMNGSA-N 1 2 359.832 2.909 20 30 FFEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)CC[C@H](C(F)(F)F)O1 ZINC000880055662 1015744159 /nfs/dbraw/zinc/74/41/59/1015744159.db2.gz CRQVPSPTCTVYBF-GOEBONIOSA-N 1 2 369.387 2.975 20 30 FFEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC[C@H](C(F)(F)F)O1 ZINC000880055662 1015744160 /nfs/dbraw/zinc/74/41/60/1015744160.db2.gz CRQVPSPTCTVYBF-GOEBONIOSA-N 1 2 369.387 2.975 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC3(C2)CCOCC3)C1 ZINC001080776502 993354871 /nfs/dbraw/zinc/35/48/71/993354871.db2.gz GFDGHECTBVJJJE-IUODEOHRSA-N 1 2 371.319 2.538 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC3(C2)CCOCC3)C1 ZINC001080776502 993354873 /nfs/dbraw/zinc/35/48/73/993354873.db2.gz GFDGHECTBVJJJE-IUODEOHRSA-N 1 2 371.319 2.538 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1cc(Cl)no1 ZINC001080823883 993398891 /nfs/dbraw/zinc/39/88/91/993398891.db2.gz MXSKTNADJVGNQG-QMTHXVAHSA-N 1 2 362.792 2.589 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1cc(Cl)no1 ZINC001080823883 993398893 /nfs/dbraw/zinc/39/88/93/993398893.db2.gz MXSKTNADJVGNQG-QMTHXVAHSA-N 1 2 362.792 2.589 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2csc(C)n2)C[C@H]1C ZINC001080850168 993412107 /nfs/dbraw/zinc/41/21/07/993412107.db2.gz AWNMRJRLFIPPBC-AUUYWEPGSA-N 1 2 353.491 2.612 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2csc(C)n2)C[C@H]1C ZINC001080850168 993412112 /nfs/dbraw/zinc/41/21/12/993412112.db2.gz AWNMRJRLFIPPBC-AUUYWEPGSA-N 1 2 353.491 2.612 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1sccc1C ZINC001081290971 993787642 /nfs/dbraw/zinc/78/76/42/993787642.db2.gz ROZXQCIEBSWBBZ-IAGOWNOFSA-N 1 2 355.463 2.557 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1sccc1C ZINC001081290971 993787649 /nfs/dbraw/zinc/78/76/49/993787649.db2.gz ROZXQCIEBSWBBZ-IAGOWNOFSA-N 1 2 355.463 2.557 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)CC1CCC1 ZINC001081484367 993843806 /nfs/dbraw/zinc/84/38/06/993843806.db2.gz WZIJPGBDCHKRJV-RTBURBONSA-N 1 2 360.885 2.697 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)CC1CCC1 ZINC001081484367 993843812 /nfs/dbraw/zinc/84/38/12/993843812.db2.gz WZIJPGBDCHKRJV-RTBURBONSA-N 1 2 360.885 2.697 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)[C@H](C)C1CC1 ZINC001081500225 993855166 /nfs/dbraw/zinc/85/51/66/993855166.db2.gz MTADKOUDUCCKPQ-NIKGAXFTSA-N 1 2 360.885 2.553 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)[C@H](C)C1CC1 ZINC001081500225 993855177 /nfs/dbraw/zinc/85/51/77/993855177.db2.gz MTADKOUDUCCKPQ-NIKGAXFTSA-N 1 2 360.885 2.553 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@]1(C)CC=CCC1 ZINC001081730541 993941700 /nfs/dbraw/zinc/94/17/00/993941700.db2.gz LEGSYDOZRYNZST-SJBKTWHCSA-N 1 2 370.468 2.739 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@]1(C)CC=CCC1 ZINC001081730541 993941712 /nfs/dbraw/zinc/94/17/12/993941712.db2.gz LEGSYDOZRYNZST-SJBKTWHCSA-N 1 2 370.468 2.739 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001081933490 994054122 /nfs/dbraw/zinc/05/41/22/994054122.db2.gz FXPKPCOUUZVJQZ-UAFMIMERSA-N 1 2 354.494 2.536 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001081933490 994054129 /nfs/dbraw/zinc/05/41/29/994054129.db2.gz FXPKPCOUUZVJQZ-UAFMIMERSA-N 1 2 354.494 2.536 20 30 FFEDLO Cc1n[nH]c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)c1C ZINC001086662202 994085517 /nfs/dbraw/zinc/08/55/17/994085517.db2.gz DVOFHDKLXYXQMG-MAUKXSAKSA-N 1 2 351.454 2.587 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1CC2(CCC2)C1 ZINC001082040980 994115008 /nfs/dbraw/zinc/11/50/08/994115008.db2.gz AEFHRURSKJBUNW-IAGOWNOFSA-N 1 2 359.495 2.515 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1CC2(CCC2)C1 ZINC001082040980 994115012 /nfs/dbraw/zinc/11/50/12/994115012.db2.gz AEFHRURSKJBUNW-IAGOWNOFSA-N 1 2 359.495 2.515 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C1CC2(CCC2)C1 ZINC001082041366 994116149 /nfs/dbraw/zinc/11/61/49/994116149.db2.gz VRBVMMXGOHZLEN-WOJBJXKFSA-N 1 2 370.468 2.573 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C1CC2(CCC2)C1 ZINC001082041366 994116152 /nfs/dbraw/zinc/11/61/52/994116152.db2.gz VRBVMMXGOHZLEN-WOJBJXKFSA-N 1 2 370.468 2.573 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cc[nH]c1C(C)C ZINC001082049668 994122880 /nfs/dbraw/zinc/12/28/80/994122880.db2.gz VIGJUJJHKYXIQZ-WOJBJXKFSA-N 1 2 365.477 2.619 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cc[nH]c1C(C)C ZINC001082049668 994122885 /nfs/dbraw/zinc/12/28/85/994122885.db2.gz VIGJUJJHKYXIQZ-WOJBJXKFSA-N 1 2 365.477 2.619 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)C1(C)CCC1 ZINC001082031909 994130469 /nfs/dbraw/zinc/13/04/69/994130469.db2.gz QSQRZJXIUVKYBG-QZTJIDSGSA-N 1 2 360.885 2.697 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)C1(C)CCC1 ZINC001082031909 994130474 /nfs/dbraw/zinc/13/04/74/994130474.db2.gz QSQRZJXIUVKYBG-QZTJIDSGSA-N 1 2 360.885 2.697 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3oc(CCC)nc3C)C[C@H]2OC)C1 ZINC001082110805 994191946 /nfs/dbraw/zinc/19/19/46/994191946.db2.gz IUMIFEJWXFIWQS-NVXWUHKLSA-N 1 2 361.486 2.607 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3oc(CCC)nc3C)C[C@H]2OC)C1 ZINC001082110805 994191952 /nfs/dbraw/zinc/19/19/52/994191952.db2.gz IUMIFEJWXFIWQS-NVXWUHKLSA-N 1 2 361.486 2.607 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H](C)C1CCCC1 ZINC001082319305 994342050 /nfs/dbraw/zinc/34/20/50/994342050.db2.gz PPTSPMVBUWXVQA-FSPWUOQZSA-N 1 2 361.511 2.761 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H](C)C1CCCC1 ZINC001082319305 994342061 /nfs/dbraw/zinc/34/20/61/994342061.db2.gz PPTSPMVBUWXVQA-FSPWUOQZSA-N 1 2 361.511 2.761 20 30 FFEDLO CCc1oc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2OC)cc1C ZINC001082323020 994386552 /nfs/dbraw/zinc/38/65/52/994386552.db2.gz ZJWQXVMEIXGEMX-YLJYHZDGSA-N 1 2 367.449 2.651 20 30 FFEDLO CCc1oc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2OC)cc1C ZINC001082323020 994386565 /nfs/dbraw/zinc/38/65/65/994386565.db2.gz ZJWQXVMEIXGEMX-YLJYHZDGSA-N 1 2 367.449 2.651 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Cl)cc1 ZINC001082337382 994410761 /nfs/dbraw/zinc/41/07/61/994410761.db2.gz NVCCAIFTJSZAFI-WOJBJXKFSA-N 1 2 368.864 2.821 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Cl)cc1 ZINC001082337382 994410769 /nfs/dbraw/zinc/41/07/69/994410769.db2.gz NVCCAIFTJSZAFI-WOJBJXKFSA-N 1 2 368.864 2.821 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccc(C)cc1C ZINC001082353579 994425314 /nfs/dbraw/zinc/42/53/14/994425314.db2.gz DFFTYUUAOYQRGT-NHCUHLMSSA-N 1 2 363.461 2.804 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccc(C)cc1C ZINC001082353579 994425317 /nfs/dbraw/zinc/42/53/17/994425317.db2.gz DFFTYUUAOYQRGT-NHCUHLMSSA-N 1 2 363.461 2.804 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cccn1C(C)C ZINC001082372920 994475450 /nfs/dbraw/zinc/47/54/50/994475450.db2.gz HFBGJNHVLQYVJD-TZIWHRDSSA-N 1 2 365.477 2.550 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cccn1C(C)C ZINC001082372920 994475454 /nfs/dbraw/zinc/47/54/54/994475454.db2.gz HFBGJNHVLQYVJD-TZIWHRDSSA-N 1 2 365.477 2.550 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C1CCC=CCC1 ZINC001082374859 994478816 /nfs/dbraw/zinc/47/88/16/994478816.db2.gz STAGHVOWXYKSCG-NHCUHLMSSA-N 1 2 370.468 2.739 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C1CCC=CCC1 ZINC001082374859 994478819 /nfs/dbraw/zinc/47/88/19/994478819.db2.gz STAGHVOWXYKSCG-NHCUHLMSSA-N 1 2 370.468 2.739 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1)CO2 ZINC001053836922 1015889067 /nfs/dbraw/zinc/88/90/67/1015889067.db2.gz VBKMEGOABZRPBB-NSHGMRRFSA-N 1 2 370.493 2.724 20 30 FFEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001082525045 994823822 /nfs/dbraw/zinc/82/38/22/994823822.db2.gz WQMSTPPLHRFVOJ-FZQKWOKYSA-N 1 2 361.314 2.534 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001082525045 994823827 /nfs/dbraw/zinc/82/38/27/994823827.db2.gz WQMSTPPLHRFVOJ-FZQKWOKYSA-N 1 2 361.314 2.534 20 30 FFEDLO N#Cc1cccc(NC(=O)COC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000811326354 995104242 /nfs/dbraw/zinc/10/42/42/995104242.db2.gz NYUOOMSKCAEUMO-UHFFFAOYSA-N 1 2 374.400 2.527 20 30 FFEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]NC[C@H]1CCSC1 ZINC000811658661 995206972 /nfs/dbraw/zinc/20/69/72/995206972.db2.gz MUADXMXVZPJOMX-CYBMUJFWSA-N 1 2 365.462 2.638 20 30 FFEDLO N#Cc1cc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c(F)cc1F ZINC000880715745 1015957057 /nfs/dbraw/zinc/95/70/57/1015957057.db2.gz GPQQPVFWMRQAJN-AWEZNQCLSA-N 1 2 364.396 2.555 20 30 FFEDLO O=C(C[C@H]1CC=CCC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083164592 996123608 /nfs/dbraw/zinc/12/36/08/996123608.db2.gz UDGGAJCXUFNZCB-FDFHNCONSA-N 1 2 364.489 2.696 20 30 FFEDLO O=C(C[C@H]1CC=CCC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083164592 996123611 /nfs/dbraw/zinc/12/36/11/996123611.db2.gz UDGGAJCXUFNZCB-FDFHNCONSA-N 1 2 364.489 2.696 20 30 FFEDLO C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccccc4F)C[C@@H]32)cc1 ZINC001083160419 996128275 /nfs/dbraw/zinc/12/82/75/996128275.db2.gz YDAGFCNFCORWKV-LEWJYISDSA-N 1 2 364.420 2.532 20 30 FFEDLO C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccccc4F)C[C@@H]32)cc1 ZINC001083160419 996128277 /nfs/dbraw/zinc/12/82/77/996128277.db2.gz YDAGFCNFCORWKV-LEWJYISDSA-N 1 2 364.420 2.532 20 30 FFEDLO CC1(C)CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083167655 996131064 /nfs/dbraw/zinc/13/10/64/996131064.db2.gz WKZDTMQLTUUEOJ-QHAWAJNXSA-N 1 2 366.505 2.776 20 30 FFEDLO CC1(C)CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083167655 996131067 /nfs/dbraw/zinc/13/10/67/996131067.db2.gz WKZDTMQLTUUEOJ-QHAWAJNXSA-N 1 2 366.505 2.776 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3c(Cl)oc4ccccc43)[C@H]2C1 ZINC001083172336 996137239 /nfs/dbraw/zinc/13/72/39/996137239.db2.gz WLPGUNJZSBPDPK-GOEBONIOSA-N 1 2 358.825 2.635 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3c(Cl)oc4ccccc43)[C@H]2C1 ZINC001083172336 996137242 /nfs/dbraw/zinc/13/72/42/996137242.db2.gz WLPGUNJZSBPDPK-GOEBONIOSA-N 1 2 358.825 2.635 20 30 FFEDLO Cc1noc(C)c1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084180714 996309996 /nfs/dbraw/zinc/30/99/96/996309996.db2.gz MMEBGZGPFKPRGU-CRAIPNDOSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1noc(C)c1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084180714 996310001 /nfs/dbraw/zinc/31/00/01/996310001.db2.gz MMEBGZGPFKPRGU-CRAIPNDOSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)n1C ZINC001084187115 996318947 /nfs/dbraw/zinc/31/89/47/996318947.db2.gz CTRIQQTXVIONBE-OXQOHEQNSA-N 1 2 366.440 2.691 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)n1C ZINC001084187115 996318953 /nfs/dbraw/zinc/31/89/53/996318953.db2.gz CTRIQQTXVIONBE-OXQOHEQNSA-N 1 2 366.440 2.691 20 30 FFEDLO CS[C@H](C)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084196512 996329395 /nfs/dbraw/zinc/32/93/95/996329395.db2.gz LVZPBJKQEMXKDF-QGPMSJSTSA-N 1 2 362.926 2.976 20 30 FFEDLO CS[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084196512 996329402 /nfs/dbraw/zinc/32/94/02/996329402.db2.gz LVZPBJKQEMXKDF-QGPMSJSTSA-N 1 2 362.926 2.976 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccccc4O)[C@@H]3C2)cc1F ZINC001084196813 996329712 /nfs/dbraw/zinc/32/97/12/996329712.db2.gz XGEXHIJCEBXMMF-VQIMIIECSA-N 1 2 365.408 2.749 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccccc4O)[C@@H]3C2)cc1F ZINC001084196813 996329716 /nfs/dbraw/zinc/32/97/16/996329716.db2.gz XGEXHIJCEBXMMF-VQIMIIECSA-N 1 2 365.408 2.749 20 30 FFEDLO CCc1ocnc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084247165 996353079 /nfs/dbraw/zinc/35/30/79/996353079.db2.gz ZTBHEUUWVIJKLZ-NVXWUHKLSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1ocnc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084247165 996353086 /nfs/dbraw/zinc/35/30/86/996353086.db2.gz ZTBHEUUWVIJKLZ-NVXWUHKLSA-N 1 2 368.412 2.594 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccnc(F)c4)[C@@H]3C2)s1 ZINC001084224682 996373315 /nfs/dbraw/zinc/37/33/15/996373315.db2.gz IMDARMZNRLABCB-CZUORRHYSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccnc(F)c4)[C@@H]3C2)s1 ZINC001084224682 996373323 /nfs/dbraw/zinc/37/33/23/996373323.db2.gz IMDARMZNRLABCB-CZUORRHYSA-N 1 2 356.426 2.500 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21)n1cccc1 ZINC001084285614 996390219 /nfs/dbraw/zinc/39/02/19/996390219.db2.gz JLOOOUVFQCZFLE-XAUMDUMWSA-N 1 2 366.440 2.793 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21)n1cccc1 ZINC001084285614 996390225 /nfs/dbraw/zinc/39/02/25/996390225.db2.gz JLOOOUVFQCZFLE-XAUMDUMWSA-N 1 2 366.440 2.793 20 30 FFEDLO CCc1nc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)co1 ZINC001084294503 996400092 /nfs/dbraw/zinc/40/00/92/996400092.db2.gz UEEKRHVBYIJKKJ-RDTXWAMCSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)co1 ZINC001084294503 996400094 /nfs/dbraw/zinc/40/00/94/996400094.db2.gz UEEKRHVBYIJKKJ-RDTXWAMCSA-N 1 2 368.412 2.594 20 30 FFEDLO CC[C@@H](SC)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084283785 996429442 /nfs/dbraw/zinc/42/94/42/996429442.db2.gz NLSCEXHDSCVYOP-ZTFGCOKTSA-N 1 2 361.486 2.872 20 30 FFEDLO CC[C@@H](SC)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084283785 996429445 /nfs/dbraw/zinc/42/94/45/996429445.db2.gz NLSCEXHDSCVYOP-ZTFGCOKTSA-N 1 2 361.486 2.872 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)ns1 ZINC001084308367 996439892 /nfs/dbraw/zinc/43/98/92/996439892.db2.gz RXTNJEOSQGHXMT-RDTXWAMCSA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)ns1 ZINC001084308367 996439894 /nfs/dbraw/zinc/43/98/94/996439894.db2.gz RXTNJEOSQGHXMT-RDTXWAMCSA-N 1 2 370.453 2.809 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCCOCC4)[C@@H]3C2)c1 ZINC001084311580 996443733 /nfs/dbraw/zinc/44/37/33/996443733.db2.gz QPOGGTYNRUVFDQ-MBOZVWFJSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCCOCC4)[C@@H]3C2)c1 ZINC001084311580 996443736 /nfs/dbraw/zinc/44/37/36/996443736.db2.gz QPOGGTYNRUVFDQ-MBOZVWFJSA-N 1 2 371.456 2.547 20 30 FFEDLO CCCn1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)cn1 ZINC001084693220 996937417 /nfs/dbraw/zinc/93/74/17/996937417.db2.gz SIIDPDZCUYIJGG-RDTXWAMCSA-N 1 2 369.494 2.573 20 30 FFEDLO CCCn1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)cn1 ZINC001084693220 996937433 /nfs/dbraw/zinc/93/74/33/996937433.db2.gz SIIDPDZCUYIJGG-RDTXWAMCSA-N 1 2 369.494 2.573 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000730284074 997040882 /nfs/dbraw/zinc/04/08/82/997040882.db2.gz FQMSUQXSDYEJPG-IBGZPJMESA-N 1 2 373.412 2.523 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000730284074 997040895 /nfs/dbraw/zinc/04/08/95/997040895.db2.gz FQMSUQXSDYEJPG-IBGZPJMESA-N 1 2 373.412 2.523 20 30 FFEDLO CCC#C[C@@H](C)[NH+]1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000677046709 1016086116 /nfs/dbraw/zinc/08/61/16/1016086116.db2.gz GXVIYHBWTPMGGN-MRXNPFEDSA-N 1 2 354.454 2.665 20 30 FFEDLO CCc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)no1 ZINC001084783294 997352850 /nfs/dbraw/zinc/35/28/50/997352850.db2.gz KPWLNBXOINTMBY-DNVCBOLYSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)no1 ZINC001084783294 997352860 /nfs/dbraw/zinc/35/28/60/997352860.db2.gz KPWLNBXOINTMBY-DNVCBOLYSA-N 1 2 368.412 2.594 20 30 FFEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000128814512 1016153073 /nfs/dbraw/zinc/15/30/73/1016153073.db2.gz SLLVNKCGZRAQTP-UHFFFAOYSA-N 1 2 352.409 2.796 20 30 FFEDLO Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](Cc4cc(F)ccc4C#N)[C@H]3C2)no1 ZINC001084885712 997853258 /nfs/dbraw/zinc/85/32/58/997853258.db2.gz LWPBOOCPBUGXIP-KUHUBIRLSA-N 1 2 368.412 2.730 20 30 FFEDLO Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cc(F)ccc4C#N)[C@H]3C2)no1 ZINC001084885712 997853271 /nfs/dbraw/zinc/85/32/71/997853271.db2.gz LWPBOOCPBUGXIP-KUHUBIRLSA-N 1 2 368.412 2.730 20 30 FFEDLO CCn1ncc2c1C[N@H+](Cc1cncc(C#N)c1)C[C@H]2COCC1CC1 ZINC001144075665 997990776 /nfs/dbraw/zinc/99/07/76/997990776.db2.gz SEZRTCWKSQVLKD-SFHVURJKSA-N 1 2 351.454 2.696 20 30 FFEDLO CCn1ncc2c1C[N@@H+](Cc1cncc(C#N)c1)C[C@H]2COCC1CC1 ZINC001144075665 997990788 /nfs/dbraw/zinc/99/07/88/997990788.db2.gz SEZRTCWKSQVLKD-SFHVURJKSA-N 1 2 351.454 2.696 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@@H+](C/C(Cl)=C/Cl)[C@H]3C2)c1 ZINC001084915386 998071516 /nfs/dbraw/zinc/07/15/16/998071516.db2.gz XIEAVIGDZOYSKO-KSTUHPTOSA-N 1 2 353.253 2.742 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@H+](C/C(Cl)=C/Cl)[C@H]3C2)c1 ZINC001084915386 998071527 /nfs/dbraw/zinc/07/15/27/998071527.db2.gz XIEAVIGDZOYSKO-KSTUHPTOSA-N 1 2 353.253 2.742 20 30 FFEDLO C=CCOC[C@H]1c2nnn(CC)c2CCN1Cc1c[nH+]c2ccc(C)cn12 ZINC001137305933 1016255204 /nfs/dbraw/zinc/25/52/04/1016255204.db2.gz AWJPVTZPCUGFKB-SFHVURJKSA-N 1 2 366.469 2.556 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3nonc3C)[C@H]2C1)c1ccccc1 ZINC001085099547 998941164 /nfs/dbraw/zinc/94/11/64/998941164.db2.gz YNMAKPAAFDBBSY-HBFSDRIKSA-N 1 2 366.465 2.771 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3nonc3C)[C@H]2C1)c1ccccc1 ZINC001085099547 998941169 /nfs/dbraw/zinc/94/11/69/998941169.db2.gz YNMAKPAAFDBBSY-HBFSDRIKSA-N 1 2 366.465 2.771 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccon1 ZINC001049783722 1016267096 /nfs/dbraw/zinc/26/70/96/1016267096.db2.gz VDUQQRWPBOTBLD-OKYOBFRVSA-N 1 2 359.470 2.611 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccon1 ZINC001049783722 1016267100 /nfs/dbraw/zinc/26/71/00/1016267100.db2.gz VDUQQRWPBOTBLD-OKYOBFRVSA-N 1 2 359.470 2.611 20 30 FFEDLO CCC[C@@H]1C[C@H]1C(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108198239 999128434 /nfs/dbraw/zinc/12/84/34/999128434.db2.gz XDIKWCNGYHMHQP-SBHAEUEKSA-N 1 2 355.482 2.702 20 30 FFEDLO CCC[C@@H]1C[C@H]1C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108198239 999128438 /nfs/dbraw/zinc/12/84/38/999128438.db2.gz XDIKWCNGYHMHQP-SBHAEUEKSA-N 1 2 355.482 2.702 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001085824387 999644903 /nfs/dbraw/zinc/64/49/03/999644903.db2.gz HOKUGSBXMPNHOH-MNEFBYGVSA-N 1 2 360.885 2.649 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001085824387 999644906 /nfs/dbraw/zinc/64/49/06/999644906.db2.gz HOKUGSBXMPNHOH-MNEFBYGVSA-N 1 2 360.885 2.649 20 30 FFEDLO Cc1ncc(CO)c(/C=N\C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1O ZINC000741755090 999741307 /nfs/dbraw/zinc/74/13/07/999741307.db2.gz MZGGPVYFUQSMHS-QRVIBDJDSA-N 1 2 368.481 2.742 20 30 FFEDLO O=[N+]([O-])c1cccc(N[NH+]=Cc2c(N3CCOCC3)nc3ccccn32)c1 ZINC000741811343 999743922 /nfs/dbraw/zinc/74/39/22/999743922.db2.gz SGVCIVOELZBICQ-UHFFFAOYSA-N 1 2 366.381 2.525 20 30 FFEDLO CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)c(C)n1 ZINC001097944943 1016355436 /nfs/dbraw/zinc/35/54/36/1016355436.db2.gz XKQACNGBIPJNAH-XWIAVFTESA-N 1 2 369.494 2.680 20 30 FFEDLO CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)c(C)n1 ZINC001097944943 1016355448 /nfs/dbraw/zinc/35/54/48/1016355448.db2.gz XKQACNGBIPJNAH-XWIAVFTESA-N 1 2 369.494 2.680 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1cccc(C#N)c1 ZINC000745168992 999898847 /nfs/dbraw/zinc/89/88/47/999898847.db2.gz DWIHLJIEGBJRGJ-UHFFFAOYSA-N 1 2 361.405 2.767 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1cccc(C#N)c1 ZINC000745168992 999898849 /nfs/dbraw/zinc/89/88/49/999898849.db2.gz DWIHLJIEGBJRGJ-UHFFFAOYSA-N 1 2 361.405 2.767 20 30 FFEDLO Cc1cc(C#N)nc(N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)n1 ZINC001169514318 1000055105 /nfs/dbraw/zinc/05/51/05/1000055105.db2.gz QXUWNRPNFLJCMZ-SJLPKXTDSA-N 1 2 365.437 2.528 20 30 FFEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000767042223 1000096911 /nfs/dbraw/zinc/09/69/11/1000096911.db2.gz ZGPXQPDBGKUHQP-HXUWFJFHSA-N 1 2 367.424 2.729 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC)C3)c1 ZINC001108942233 1000136373 /nfs/dbraw/zinc/13/63/73/1000136373.db2.gz IJPFRWJJMVIZRD-QYZOEREBSA-N 1 2 353.466 2.518 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC)C3)c1 ZINC001108942233 1000136374 /nfs/dbraw/zinc/13/63/74/1000136374.db2.gz IJPFRWJJMVIZRD-QYZOEREBSA-N 1 2 353.466 2.518 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109028528 1000152693 /nfs/dbraw/zinc/15/26/93/1000152693.db2.gz WFUYPKAAKKTDOV-PTLICHBZSA-N 1 2 371.456 2.734 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109028528 1000152694 /nfs/dbraw/zinc/15/26/94/1000152694.db2.gz WFUYPKAAKKTDOV-PTLICHBZSA-N 1 2 371.456 2.734 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(OC)ccc1Cl ZINC001109070873 1000161408 /nfs/dbraw/zinc/16/14/08/1000161408.db2.gz MIOZTXHITLANEX-JLSDUUJJSA-N 1 2 364.873 2.773 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(OC)ccc1Cl ZINC001109070873 1000161409 /nfs/dbraw/zinc/16/14/09/1000161409.db2.gz MIOZTXHITLANEX-JLSDUUJJSA-N 1 2 364.873 2.773 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1coc(-c2ccccc2)n1 ZINC001109090028 1000166551 /nfs/dbraw/zinc/16/65/51/1000166551.db2.gz AOXZRXZZJBBFHZ-ZSGPHXLJSA-N 1 2 350.422 2.723 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1coc(-c2ccccc2)n1 ZINC001109090028 1000166554 /nfs/dbraw/zinc/16/65/54/1000166554.db2.gz AOXZRXZZJBBFHZ-ZSGPHXLJSA-N 1 2 350.422 2.723 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(Cl)cc1 ZINC001109204225 1000185691 /nfs/dbraw/zinc/18/56/91/1000185691.db2.gz HOJNKMCEGPSABR-SQNIBIBYSA-N 1 2 373.884 2.804 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(Cl)cc1 ZINC001109204225 1000185693 /nfs/dbraw/zinc/18/56/93/1000185693.db2.gz HOJNKMCEGPSABR-SQNIBIBYSA-N 1 2 373.884 2.804 20 30 FFEDLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@@H+]1[C@H](C)Cc1cccc(C#N)c1 ZINC001171212152 1000204200 /nfs/dbraw/zinc/20/42/00/1000204200.db2.gz JQDQMHRNYUJDKZ-QRWLVFNGSA-N 1 2 365.481 2.737 20 30 FFEDLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@H+]1[C@H](C)Cc1cccc(C#N)c1 ZINC001171212152 1000204201 /nfs/dbraw/zinc/20/42/01/1000204201.db2.gz JQDQMHRNYUJDKZ-QRWLVFNGSA-N 1 2 365.481 2.737 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(Cl)c1 ZINC001109267220 1000209275 /nfs/dbraw/zinc/20/92/75/1000209275.db2.gz MWTAFHHMCWFAFU-YENGBRFLSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(Cl)c1 ZINC001109267220 1000209282 /nfs/dbraw/zinc/20/92/82/1000209282.db2.gz MWTAFHHMCWFAFU-YENGBRFLSA-N 1 2 364.848 2.739 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(C)cn1 ZINC001109281561 1000223765 /nfs/dbraw/zinc/22/37/65/1000223765.db2.gz LALNWIGCOSLYQT-AABGKKOBSA-N 1 2 372.513 2.770 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(C)cn1 ZINC001109281561 1000223769 /nfs/dbraw/zinc/22/37/69/1000223769.db2.gz LALNWIGCOSLYQT-AABGKKOBSA-N 1 2 372.513 2.770 20 30 FFEDLO CCCn1nccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001095477302 1016398825 /nfs/dbraw/zinc/39/88/25/1016398825.db2.gz ZWCFEUISYTXNOH-COXVUDFISA-N 1 2 369.494 2.762 20 30 FFEDLO CCCn1nccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001095477302 1016398840 /nfs/dbraw/zinc/39/88/40/1016398840.db2.gz ZWCFEUISYTXNOH-COXVUDFISA-N 1 2 369.494 2.762 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NCc1ccco1 ZINC001109339292 1000288337 /nfs/dbraw/zinc/28/83/37/1000288337.db2.gz BNNKXZVVVVNYFA-MVJTYMMSSA-N 1 2 373.497 2.608 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NCc1ccco1 ZINC001109339292 1000288341 /nfs/dbraw/zinc/28/83/41/1000288341.db2.gz BNNKXZVVVVNYFA-MVJTYMMSSA-N 1 2 373.497 2.608 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001091289689 1000376098 /nfs/dbraw/zinc/37/60/98/1000376098.db2.gz GYXNZANIYRGHJX-NUEKZKHPSA-N 1 2 360.506 2.688 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC001091292171 1000378461 /nfs/dbraw/zinc/37/84/61/1000378461.db2.gz YKSNIMDCMJQPTF-KFKAGJAMSA-N 1 2 371.529 2.906 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001091292171 1000378466 /nfs/dbraw/zinc/37/84/66/1000378466.db2.gz YKSNIMDCMJQPTF-KFKAGJAMSA-N 1 2 371.529 2.906 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(CN(C)C(=O)OC(C)(C)C)CC2)nn1 ZINC000846800361 1000442844 /nfs/dbraw/zinc/44/28/44/1000442844.db2.gz ZPRGWHPJQGZVLT-UHFFFAOYSA-N 1 2 363.506 2.933 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(C(C)=O)CC1 ZINC000846949956 1000495484 /nfs/dbraw/zinc/49/54/84/1000495484.db2.gz HVZNJGGOQCVYNH-HNNXBMFYSA-N 1 2 357.454 2.631 20 30 FFEDLO C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001146223549 1000643853 /nfs/dbraw/zinc/64/38/53/1000643853.db2.gz ZKQVBOOEEKYYBZ-AUUYWEPGSA-N 1 2 360.458 2.516 20 30 FFEDLO C[C@@H](NC(=O)C(=O)/C=C/c1ccc(F)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC001146577058 1000704537 /nfs/dbraw/zinc/70/45/37/1000704537.db2.gz WEHGWNSCYCHGEL-YXMGTMDOSA-N 1 2 374.456 2.558 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1 ZINC001109631818 1000747913 /nfs/dbraw/zinc/74/79/13/1000747913.db2.gz OULUCMFQZPYAAW-NQYYFHDYSA-N 1 2 355.482 2.949 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1 ZINC001109631818 1000747919 /nfs/dbraw/zinc/74/79/19/1000747919.db2.gz OULUCMFQZPYAAW-NQYYFHDYSA-N 1 2 355.482 2.949 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001109635887 1000762532 /nfs/dbraw/zinc/76/25/32/1000762532.db2.gz YCEFAHRBBFAKLC-VLQPXKRTSA-N 1 2 373.541 2.615 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001109635887 1000762537 /nfs/dbraw/zinc/76/25/37/1000762537.db2.gz YCEFAHRBBFAKLC-VLQPXKRTSA-N 1 2 373.541 2.615 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1CC)C2 ZINC001109675949 1000817534 /nfs/dbraw/zinc/81/75/34/1000817534.db2.gz MHORPBFEAFGJOD-SQNIBIBYSA-N 1 2 373.497 2.602 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1CC)C2 ZINC001109675949 1000817539 /nfs/dbraw/zinc/81/75/39/1000817539.db2.gz MHORPBFEAFGJOD-SQNIBIBYSA-N 1 2 373.497 2.602 20 30 FFEDLO COC[C@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109911910 1001151228 /nfs/dbraw/zinc/15/12/28/1001151228.db2.gz NDPQGUFZUQMWNM-OLQIXAPSSA-N 1 2 359.445 2.591 20 30 FFEDLO COC[C@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109911910 1001151232 /nfs/dbraw/zinc/15/12/32/1001151232.db2.gz NDPQGUFZUQMWNM-OLQIXAPSSA-N 1 2 359.445 2.591 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccn2)C3)ccc1F ZINC001096729421 1016480557 /nfs/dbraw/zinc/48/05/57/1016480557.db2.gz OWIITZRXZKLTNS-LZQZEXGQSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccn2)C3)ccc1F ZINC001096729421 1016480562 /nfs/dbraw/zinc/48/05/62/1016480562.db2.gz OWIITZRXZKLTNS-LZQZEXGQSA-N 1 2 350.397 2.628 20 30 FFEDLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccco2)C3)cc1C#N ZINC001096740672 1016511354 /nfs/dbraw/zinc/51/13/54/1016511354.db2.gz PTJJVRPBQZVBID-ZACQAIPSSA-N 1 2 351.406 2.695 20 30 FFEDLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccco2)C3)cc1C#N ZINC001096740672 1016511360 /nfs/dbraw/zinc/51/13/60/1016511360.db2.gz PTJJVRPBQZVBID-ZACQAIPSSA-N 1 2 351.406 2.695 20 30 FFEDLO CCn1ncnc1CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000786892762 1001640014 /nfs/dbraw/zinc/64/00/14/1001640014.db2.gz ATQGRSNDUAFHMB-UHFFFAOYSA-N 1 2 351.410 2.714 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC(C)C)cc1)C2 ZINC001110083491 1001690159 /nfs/dbraw/zinc/69/01/59/1001690159.db2.gz KXTQCOZHNJFXNM-AABGKKOBSA-N 1 2 369.509 2.522 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC(C)C)cc1)C2 ZINC001110083491 1001690162 /nfs/dbraw/zinc/69/01/62/1001690162.db2.gz KXTQCOZHNJFXNM-AABGKKOBSA-N 1 2 369.509 2.522 20 30 FFEDLO Cn1cc(C#N)cc1C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788239984 1001775853 /nfs/dbraw/zinc/77/58/53/1001775853.db2.gz DESYFLSNAPBICW-HNNXBMFYSA-N 1 2 351.454 2.955 20 30 FFEDLO Cn1cc(C#N)cc1C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788239984 1001775860 /nfs/dbraw/zinc/77/58/60/1001775860.db2.gz DESYFLSNAPBICW-HNNXBMFYSA-N 1 2 351.454 2.955 20 30 FFEDLO COC(=O)c1c(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)snc1OC ZINC001182435070 1001867415 /nfs/dbraw/zinc/86/74/15/1001867415.db2.gz SLCJOMJNLZSDRX-CQSZACIVSA-N 1 2 357.435 2.977 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CCN1c1cc(C)ncc1C#N ZINC001091829272 1001912207 /nfs/dbraw/zinc/91/22/07/1001912207.db2.gz VSRVQYZIISRHPC-RYQLBKOJSA-N 1 2 366.469 2.583 20 30 FFEDLO N#Cc1ccc(CNc2ccc(I)c(N)[nH+]2)cc1F ZINC001170094435 1001938390 /nfs/dbraw/zinc/93/83/90/1001938390.db2.gz NYJYMCUOYWTGHS-UHFFFAOYSA-N 1 2 368.153 2.891 20 30 FFEDLO Cn1cc(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)c(C#N)n1 ZINC001182936449 1002113978 /nfs/dbraw/zinc/11/39/78/1002113978.db2.gz OBZVJHDBKOGLAN-UHFFFAOYSA-N 1 2 359.433 2.933 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001091949657 1002152035 /nfs/dbraw/zinc/15/20/35/1002152035.db2.gz XMCPPIATNBIVKE-INMHGKMJSA-N 1 2 358.486 2.727 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001057048662 1016585945 /nfs/dbraw/zinc/58/59/45/1016585945.db2.gz NFWOUPMPRIJLLH-KURKYZTESA-N 1 2 370.497 2.681 20 30 FFEDLO N#Cc1ccccc1C1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)CC1 ZINC001183292387 1002224553 /nfs/dbraw/zinc/22/45/53/1002224553.db2.gz BUNNTEHDAPNYIL-QGZVFWFLSA-N 1 2 359.420 2.922 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2CCN(c3nc(C)[nH+]c4c3CCCC4)[C@@H]2C)CCC1 ZINC001092023596 1002302628 /nfs/dbraw/zinc/30/26/28/1002302628.db2.gz LRBUNADSLDZMAW-QAPCUYQASA-N 1 2 366.509 2.941 20 30 FFEDLO CC(C)C[C@H](C(=O)N[C@H]1CCN(c2ccc(C#N)cn2)[C@@H]1C)n1cc[nH+]c1 ZINC001092024543 1002304713 /nfs/dbraw/zinc/30/47/13/1002304713.db2.gz UEINBQHPPAEZQI-BPQIPLTHSA-N 1 2 366.469 2.521 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CCC(O)CC2)C1 ZINC001086585618 1002345941 /nfs/dbraw/zinc/34/59/41/1002345941.db2.gz HLNNXZLGBQXCQU-WZOJCFFYSA-N 1 2 362.901 2.874 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CCC(O)CC2)C1 ZINC001086585618 1002345950 /nfs/dbraw/zinc/34/59/50/1002345950.db2.gz HLNNXZLGBQXCQU-WZOJCFFYSA-N 1 2 362.901 2.874 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nn(C)cc2C)C1 ZINC001086587770 1002407320 /nfs/dbraw/zinc/40/73/20/1002407320.db2.gz MLMZPGPJMWTBES-DLBZAZTESA-N 1 2 358.873 2.679 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nn(C)cc2C)C1 ZINC001086587770 1002407331 /nfs/dbraw/zinc/40/73/31/1002407331.db2.gz MLMZPGPJMWTBES-DLBZAZTESA-N 1 2 358.873 2.679 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)c1ccon1 ZINC001096843008 1016623678 /nfs/dbraw/zinc/62/36/78/1016623678.db2.gz IXXKNNDYDKRVMR-NXHRZFHOSA-N 1 2 355.825 2.715 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)c1ccon1 ZINC001096843008 1016623682 /nfs/dbraw/zinc/62/36/82/1016623682.db2.gz IXXKNNDYDKRVMR-NXHRZFHOSA-N 1 2 355.825 2.715 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cc(C)ncn2)C1 ZINC001092315635 1002668474 /nfs/dbraw/zinc/66/84/74/1002668474.db2.gz KOTRMNARYVLAHA-GVDBMIGSSA-N 1 2 368.485 2.527 20 30 FFEDLO N#Cc1ccc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1F ZINC000791395944 1002687613 /nfs/dbraw/zinc/68/76/13/1002687613.db2.gz PUOUPIKQWWVRPE-IBGZPJMESA-N 1 2 354.381 2.642 20 30 FFEDLO N#Cc1ccc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1F ZINC000791395944 1002687622 /nfs/dbraw/zinc/68/76/22/1002687622.db2.gz PUOUPIKQWWVRPE-IBGZPJMESA-N 1 2 354.381 2.642 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(OCC)c(F)c1F ZINC001276267169 1016667012 /nfs/dbraw/zinc/66/70/12/1016667012.db2.gz QNGNSADJTSTFSO-FQEVSTJZSA-N 1 2 362.420 2.954 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(OCC)c(F)c1F ZINC001276267169 1016667015 /nfs/dbraw/zinc/66/70/15/1016667015.db2.gz QNGNSADJTSTFSO-FQEVSTJZSA-N 1 2 362.420 2.954 20 30 FFEDLO N#CCCCN1C[C@@]2(F)C[N@@H+](CCCc3ccc(F)cc3)C[C@@]2(F)C1=O ZINC001276267465 1016667068 /nfs/dbraw/zinc/66/70/68/1016667068.db2.gz UUABWIQCZVPWRL-RBUKOAKNSA-N 1 2 365.399 2.636 20 30 FFEDLO N#CCCCN1C[C@@]2(F)C[N@H+](CCCc3ccc(F)cc3)C[C@@]2(F)C1=O ZINC001276267465 1016667072 /nfs/dbraw/zinc/66/70/72/1016667072.db2.gz UUABWIQCZVPWRL-RBUKOAKNSA-N 1 2 365.399 2.636 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)c2cncnc2)C1 ZINC001086604859 1002887188 /nfs/dbraw/zinc/88/71/88/1002887188.db2.gz YUHPOENKCJTJOM-AYOQOUSVSA-N 1 2 370.884 2.917 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)c2cncnc2)C1 ZINC001086604859 1002887201 /nfs/dbraw/zinc/88/72/01/1002887201.db2.gz YUHPOENKCJTJOM-AYOQOUSVSA-N 1 2 370.884 2.917 20 30 FFEDLO CCc1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001096902531 1016712162 /nfs/dbraw/zinc/71/21/62/1016712162.db2.gz SNKYNNZIJURQOH-KURKYZTESA-N 1 2 367.424 2.763 20 30 FFEDLO CCc1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001096902531 1016712180 /nfs/dbraw/zinc/71/21/80/1016712180.db2.gz SNKYNNZIJURQOH-KURKYZTESA-N 1 2 367.424 2.763 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(C)cc1C ZINC001110371237 1003094206 /nfs/dbraw/zinc/09/42/06/1003094206.db2.gz GVEQKVSTNPWCMK-QRQLOZEOSA-N 1 2 355.482 2.930 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(C)cc1C ZINC001110371237 1003094220 /nfs/dbraw/zinc/09/42/20/1003094220.db2.gz GVEQKVSTNPWCMK-QRQLOZEOSA-N 1 2 355.482 2.930 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC001110371245 1003094672 /nfs/dbraw/zinc/09/46/72/1003094672.db2.gz GZARAZCAXAHOIG-AXUOBQJMSA-N 1 2 373.472 2.691 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC001110371245 1003094685 /nfs/dbraw/zinc/09/46/85/1003094685.db2.gz GZARAZCAXAHOIG-AXUOBQJMSA-N 1 2 373.472 2.691 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1C[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC001092652590 1003301609 /nfs/dbraw/zinc/30/16/09/1003301609.db2.gz RIHFIMOIWFWNNA-UKPHBRMFSA-N 1 2 358.486 2.760 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H](CNc3cc[nH+]c(C)n3)[C@H](C)C2)CCOCC1 ZINC001092655396 1003350744 /nfs/dbraw/zinc/35/07/44/1003350744.db2.gz GIJLWDCWBWSLLD-NVXWUHKLSA-N 1 2 358.486 2.664 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H](CNc2ncnc3c2C[N@H+](C)CC3)[C@H](C)C1 ZINC001092672618 1003394759 /nfs/dbraw/zinc/39/47/59/1003394759.db2.gz GRDWKJCHHIGNRD-GVDBMIGSSA-N 1 2 371.529 2.573 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H](CNc2ncnc3c2C[N@@H+](C)CC3)[C@H](C)C1 ZINC001092672618 1003394770 /nfs/dbraw/zinc/39/47/70/1003394770.db2.gz GRDWKJCHHIGNRD-GVDBMIGSSA-N 1 2 371.529 2.573 20 30 FFEDLO CCCCCCC[C@H](C)CNC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000793787476 1003494300 /nfs/dbraw/zinc/49/43/00/1003494300.db2.gz BLUQHTAIWIDDJL-DLBZAZTESA-N 1 2 362.518 2.849 20 30 FFEDLO C=C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)n1)c1ccccc1 ZINC001110135955 1003497715 /nfs/dbraw/zinc/49/77/15/1003497715.db2.gz XZSYDSFQMGICRF-ZRNYENFQSA-N 1 2 350.466 2.611 20 30 FFEDLO C=C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(C)n1)c1ccccc1 ZINC001110135955 1003497718 /nfs/dbraw/zinc/49/77/18/1003497718.db2.gz XZSYDSFQMGICRF-ZRNYENFQSA-N 1 2 350.466 2.611 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)C)CCCCC1 ZINC001110135674 1003530418 /nfs/dbraw/zinc/53/04/18/1003530418.db2.gz OQOBUJIWOJAILW-SQNIBIBYSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)C)CCCCC1 ZINC001110135674 1003530425 /nfs/dbraw/zinc/53/04/25/1003530425.db2.gz OQOBUJIWOJAILW-SQNIBIBYSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(F)cccc1Cl ZINC001110390554 1003591285 /nfs/dbraw/zinc/59/12/85/1003591285.db2.gz STEBTWWHVXXODC-JLZZUVOBSA-N 1 2 352.837 2.903 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(F)cccc1Cl ZINC001110390554 1003591289 /nfs/dbraw/zinc/59/12/89/1003591289.db2.gz STEBTWWHVXXODC-JLZZUVOBSA-N 1 2 352.837 2.903 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cncc(F)c2)C3)s1 ZINC001096946424 1016808781 /nfs/dbraw/zinc/80/87/81/1016808781.db2.gz UMGNBTUHXZCXCW-XYPHTWIQSA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cncc(F)c2)C3)s1 ZINC001096946424 1016808799 /nfs/dbraw/zinc/80/87/99/1016808799.db2.gz UMGNBTUHXZCXCW-XYPHTWIQSA-N 1 2 356.426 2.689 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)CC(C)(C)C ZINC001196392070 1003759955 /nfs/dbraw/zinc/75/99/55/1003759955.db2.gz NDJHRXOWRYWKMB-DFQSSKMNSA-N 1 2 356.510 2.662 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)CC(C)(C)C ZINC001196392070 1003759958 /nfs/dbraw/zinc/75/99/58/1003759958.db2.gz NDJHRXOWRYWKMB-DFQSSKMNSA-N 1 2 356.510 2.662 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCN(c3ccccc3)C1)C2 ZINC001095602627 1016834716 /nfs/dbraw/zinc/83/47/16/1016834716.db2.gz VPFQZGJVNTXIEX-NQYYFHDYSA-N 1 2 359.901 2.987 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCN(c3ccccc3)C1)C2 ZINC001095602627 1016834728 /nfs/dbraw/zinc/83/47/28/1016834728.db2.gz VPFQZGJVNTXIEX-NQYYFHDYSA-N 1 2 359.901 2.987 20 30 FFEDLO N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(F)cc(F)c2)c[nH]1 ZINC001096983179 1016829685 /nfs/dbraw/zinc/82/96/85/1016829685.db2.gz BNSAIOBHJGXIHC-KURKYZTESA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(F)cc(F)c2)c[nH]1 ZINC001096983179 1016829693 /nfs/dbraw/zinc/82/96/93/1016829693.db2.gz BNSAIOBHJGXIHC-KURKYZTESA-N 1 2 356.376 2.700 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)c1cncnc1 ZINC001096988820 1016841281 /nfs/dbraw/zinc/84/12/81/1016841281.db2.gz KNDOMZUKRHDNML-QRVBRYPASA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)c1cncnc1 ZINC001096988820 1016841293 /nfs/dbraw/zinc/84/12/93/1016841293.db2.gz KNDOMZUKRHDNML-QRVBRYPASA-N 1 2 366.852 2.517 20 30 FFEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001197107772 1004086962 /nfs/dbraw/zinc/08/69/62/1004086962.db2.gz JGAZPVGNONMQMF-KFKAGJAMSA-N 1 2 362.901 2.679 20 30 FFEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001197107772 1004086971 /nfs/dbraw/zinc/08/69/71/1004086971.db2.gz JGAZPVGNONMQMF-KFKAGJAMSA-N 1 2 362.901 2.679 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)CC[NH2+][C@H](C)c1nc(C(C)C)no1 ZINC001273652622 1004364108 /nfs/dbraw/zinc/36/41/08/1004364108.db2.gz GIAZBZZJMVGYPO-PMPSAXMXSA-N 1 2 364.490 2.673 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3c2cc(F)cc3F)C[C@H]1O ZINC001193337674 1004455314 /nfs/dbraw/zinc/45/53/14/1004455314.db2.gz XYXDDCQETDYONL-FGTMMUONSA-N 1 2 364.436 2.716 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCc3c2cc(F)cc3F)C[C@H]1O ZINC001193337674 1004455319 /nfs/dbraw/zinc/45/53/19/1004455319.db2.gz XYXDDCQETDYONL-FGTMMUONSA-N 1 2 364.436 2.716 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1O)c1ccccc1 ZINC001198896266 1004763307 /nfs/dbraw/zinc/76/33/07/1004763307.db2.gz AIFBVVIUBVQURG-CEWLAPEOSA-N 1 2 368.452 2.847 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1O)c1ccccc1 ZINC001198896266 1004763313 /nfs/dbraw/zinc/76/33/13/1004763313.db2.gz AIFBVVIUBVQURG-CEWLAPEOSA-N 1 2 368.452 2.847 20 30 FFEDLO Cc1ncc(C#N)cc1NC(=O)c1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC001194658220 1004780172 /nfs/dbraw/zinc/78/01/72/1004780172.db2.gz CBOWXWCRTRNCBE-UHFFFAOYSA-N 1 2 369.856 2.919 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1O)c1ccccc1 ZINC001198956407 1004792860 /nfs/dbraw/zinc/79/28/60/1004792860.db2.gz VTESWQSOBVXVCA-DFQSSKMNSA-N 1 2 370.880 2.971 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1O)c1ccccc1 ZINC001198956407 1004792864 /nfs/dbraw/zinc/79/28/64/1004792864.db2.gz VTESWQSOBVXVCA-DFQSSKMNSA-N 1 2 370.880 2.971 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccnn3CC3CC3)CC2)cc1 ZINC000776022219 1005020172 /nfs/dbraw/zinc/02/01/72/1005020172.db2.gz TVSSGMZBNVJJPK-UHFFFAOYSA-N 1 2 364.453 2.514 20 30 FFEDLO CCCC[C@H](CNc1ncccc1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001114314077 1005126748 /nfs/dbraw/zinc/12/67/48/1005126748.db2.gz PRKTVPWDDDPFJW-BRWVUGGUSA-N 1 2 366.469 2.577 20 30 FFEDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC001201302906 1005196609 /nfs/dbraw/zinc/19/66/09/1005196609.db2.gz ADZJSFFAZGPSNN-QGZVFWFLSA-N 1 2 369.490 2.762 20 30 FFEDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC001201302906 1005196612 /nfs/dbraw/zinc/19/66/12/1005196612.db2.gz ADZJSFFAZGPSNN-QGZVFWFLSA-N 1 2 369.490 2.762 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C)(C)CC ZINC001110594139 1005390995 /nfs/dbraw/zinc/39/09/95/1005390995.db2.gz GKUWFEGHZCEVGV-KURKYZTESA-N 1 2 361.530 2.781 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C)(C)CC ZINC001110594139 1005390997 /nfs/dbraw/zinc/39/09/97/1005390997.db2.gz GKUWFEGHZCEVGV-KURKYZTESA-N 1 2 361.530 2.781 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)COC2CCCC2)[C@H]1CC ZINC001489105109 1005410207 /nfs/dbraw/zinc/41/02/07/1005410207.db2.gz NUNDOYNSBQSOJJ-LSDHHAIUSA-N 1 2 359.308 2.823 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)COC2CCCC2)[C@H]1CC ZINC001489105109 1005410208 /nfs/dbraw/zinc/41/02/08/1005410208.db2.gz NUNDOYNSBQSOJJ-LSDHHAIUSA-N 1 2 359.308 2.823 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1CC[N@H+](Cc2nccs2)[C@@H]1CC ZINC001489126668 1005415495 /nfs/dbraw/zinc/41/54/95/1005415495.db2.gz JYBLXJQCHDOBDE-DAYGRLMNSA-N 1 2 351.516 2.841 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1CC[N@@H+](Cc2nccs2)[C@@H]1CC ZINC001489126668 1005415496 /nfs/dbraw/zinc/41/54/96/1005415496.db2.gz JYBLXJQCHDOBDE-DAYGRLMNSA-N 1 2 351.516 2.841 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CC#Cc2ccccc2)CC[N@@H+]1Cc1nnc(C)s1 ZINC001489147996 1005423865 /nfs/dbraw/zinc/42/38/65/1005423865.db2.gz UMEHKIQVNZOPCX-ZWKOTPCHSA-N 1 2 368.506 2.757 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CC#Cc2ccccc2)CC[N@H+]1Cc1nnc(C)s1 ZINC001489147996 1005423867 /nfs/dbraw/zinc/42/38/67/1005423867.db2.gz UMEHKIQVNZOPCX-ZWKOTPCHSA-N 1 2 368.506 2.757 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001489456075 1005479350 /nfs/dbraw/zinc/47/93/50/1005479350.db2.gz IBNJUSNBOTWSJO-HUUCEWRRSA-N 1 2 354.454 2.513 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001490332317 1005697005 /nfs/dbraw/zinc/69/70/05/1005697005.db2.gz QCGWWLGNBGDWFM-HZPDHXFCSA-N 1 2 354.454 2.515 20 30 FFEDLO C=C(C)CCC(=O)NC[C@]12CCC[C@H]1N(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001490490133 1005727820 /nfs/dbraw/zinc/72/78/20/1005727820.db2.gz PYYHMSVPSLVMJM-YLJYHZDGSA-N 1 2 358.486 2.586 20 30 FFEDLO C=C(C)CCC(=O)NC[C@]12CCC[C@H]1N(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001490490133 1005727822 /nfs/dbraw/zinc/72/78/22/1005727822.db2.gz PYYHMSVPSLVMJM-YLJYHZDGSA-N 1 2 358.486 2.586 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001490676638 1005752002 /nfs/dbraw/zinc/75/20/02/1005752002.db2.gz YDEYBXKPBBOBTF-OHFALNGGSA-N 1 2 370.497 2.680 20 30 FFEDLO N#Cc1cccc(OCC(=O)OCC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000851398708 1005880310 /nfs/dbraw/zinc/88/03/10/1005880310.db2.gz ZRNLZZMUBFMQRK-UHFFFAOYSA-N 1 2 351.406 2.792 20 30 FFEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852330973 1005982168 /nfs/dbraw/zinc/98/21/68/1005982168.db2.gz VBNWKJPCTRGRBR-NRFANRHFSA-N 1 2 359.433 2.839 20 30 FFEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852330973 1005982173 /nfs/dbraw/zinc/98/21/73/1005982173.db2.gz VBNWKJPCTRGRBR-NRFANRHFSA-N 1 2 359.433 2.839 20 30 FFEDLO CSC[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187335915 1006019142 /nfs/dbraw/zinc/01/91/42/1006019142.db2.gz YCXNWRKSBOSJQP-QIIPPGSGSA-N 1 2 361.486 2.729 20 30 FFEDLO CSC[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187335915 1006019154 /nfs/dbraw/zinc/01/91/54/1006019154.db2.gz YCXNWRKSBOSJQP-QIIPPGSGSA-N 1 2 361.486 2.729 20 30 FFEDLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000852442595 1006025482 /nfs/dbraw/zinc/02/54/82/1006025482.db2.gz GCJQBMMYVYEAHL-GDBMZVCRSA-N 1 2 362.433 2.867 20 30 FFEDLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000852442595 1006025498 /nfs/dbraw/zinc/02/54/98/1006025498.db2.gz GCJQBMMYVYEAHL-GDBMZVCRSA-N 1 2 362.433 2.867 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)[C@@H]2C)cn1 ZINC001050470359 1017022895 /nfs/dbraw/zinc/02/28/95/1017022895.db2.gz CUPHWZXOJHABBY-QAPCUYQASA-N 1 2 363.465 2.682 20 30 FFEDLO Cc1ccc(N2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)c(C)c1 ZINC000852743054 1006164018 /nfs/dbraw/zinc/16/40/18/1006164018.db2.gz SFUJNVPFYBKTNR-UHFFFAOYSA-N 1 2 362.477 2.614 20 30 FFEDLO CCO[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21)C1CC1 ZINC001187938635 1006333315 /nfs/dbraw/zinc/33/33/15/1006333315.db2.gz RRDCSTBVFHNIBM-PWIZWCRZSA-N 1 2 371.456 2.545 20 30 FFEDLO CCO[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21)C1CC1 ZINC001187938635 1006333324 /nfs/dbraw/zinc/33/33/24/1006333324.db2.gz RRDCSTBVFHNIBM-PWIZWCRZSA-N 1 2 371.456 2.545 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000853541528 1006436964 /nfs/dbraw/zinc/43/69/64/1006436964.db2.gz SZWPZEHHDPLIMK-KRWDZBQOSA-N 1 2 353.470 2.997 20 30 FFEDLO N#Cc1c2c(cn(C[NH+]3CCC([C@H]4CCCCO4)CC3)c1=O)CCCC2 ZINC000853570234 1006449760 /nfs/dbraw/zinc/44/97/60/1006449760.db2.gz DTHWJDHKPFGYQC-HXUWFJFHSA-N 1 2 355.482 2.837 20 30 FFEDLO Cc1cc(C(N)=[NH+]OC[C@H]2CCN(C(=O)c3ccccc3)C2)ccc1F ZINC000853657176 1006496329 /nfs/dbraw/zinc/49/63/29/1006496329.db2.gz OVIYLJWLXATTSD-HNNXBMFYSA-N 1 2 355.413 2.933 20 30 FFEDLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCN(c2ccsc2C#N)CC1 ZINC000853771726 1006529777 /nfs/dbraw/zinc/52/97/77/1006529777.db2.gz XYFJOKVXEZHQIH-UHFFFAOYSA-N 1 2 367.482 2.841 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1coc(-c2ccc(F)cc2)n1 ZINC001110402137 1006718684 /nfs/dbraw/zinc/71/86/84/1006718684.db2.gz YFZKQDDSNQTMMF-XKDXWZMYSA-N 1 2 368.412 2.862 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1coc(-c2ccc(F)cc2)n1 ZINC001110402137 1006718694 /nfs/dbraw/zinc/71/86/94/1006718694.db2.gz YFZKQDDSNQTMMF-XKDXWZMYSA-N 1 2 368.412 2.862 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3nnc(-c4ccco4)o3)C[C@H]21 ZINC001188897037 1006792527 /nfs/dbraw/zinc/79/25/27/1006792527.db2.gz RCKYKLXZUWWMNB-OWCLPIDISA-N 1 2 370.453 2.965 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(-c4ccco4)o3)C[C@H]21 ZINC001188897037 1006792536 /nfs/dbraw/zinc/79/25/36/1006792536.db2.gz RCKYKLXZUWWMNB-OWCLPIDISA-N 1 2 370.453 2.965 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000884122578 1007254887 /nfs/dbraw/zinc/25/48/87/1007254887.db2.gz VFQBVLURZXBPEP-AWEZNQCLSA-N 1 2 372.387 2.546 20 30 FFEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc2c(c1)CC(=O)N2C ZINC000775354096 1007472340 /nfs/dbraw/zinc/47/23/40/1007472340.db2.gz XRGPTNSFGIKRJW-CYBMUJFWSA-N 1 2 373.416 2.978 20 30 FFEDLO CCc1cnc(C[N@@H+]2C[C@@H]3CCN(C(=O)CC#Cc4ccccc4)[C@@H]3C2)o1 ZINC001190305445 1007560045 /nfs/dbraw/zinc/56/00/45/1007560045.db2.gz QCVNKJJDQHDVFL-AZUAARDMSA-N 1 2 363.461 2.712 20 30 FFEDLO CCc1cnc(C[N@H+]2C[C@@H]3CCN(C(=O)CC#Cc4ccccc4)[C@@H]3C2)o1 ZINC001190305445 1007560049 /nfs/dbraw/zinc/56/00/49/1007560049.db2.gz QCVNKJJDQHDVFL-AZUAARDMSA-N 1 2 363.461 2.712 20 30 FFEDLO COc1ccc(OC)c(NC(=O)[C@@H](C)O[NH+]=C(N)c2ccc(F)cc2)c1 ZINC000818617338 1007951567 /nfs/dbraw/zinc/95/15/67/1007951567.db2.gz OWINTUDFMAATKG-LLVKDONJSA-N 1 2 361.373 2.507 20 30 FFEDLO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c3ccccc3c1=O)C2 ZINC001110756898 1008426044 /nfs/dbraw/zinc/42/60/44/1008426044.db2.gz NGRQXFSQGXZIMT-ZMYBRWDISA-N 1 2 351.450 2.829 20 30 FFEDLO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c3ccccc3c1=O)C2 ZINC001110756898 1008426046 /nfs/dbraw/zinc/42/60/46/1008426046.db2.gz NGRQXFSQGXZIMT-ZMYBRWDISA-N 1 2 351.450 2.829 20 30 FFEDLO CCc1nnc(-c2cc(C[NH+]3CCOCC3)ccc2OC)c(C#N)c1CC ZINC001206503253 1032317821 /nfs/dbraw/zinc/31/78/21/1032317821.db2.gz SIZQMOKGCMKQDO-UHFFFAOYSA-N 1 2 366.465 2.981 20 30 FFEDLO CC1(C)C[N@H+](C[C@@H](O)COc2ccccc2C#N)C[C@](C)(C(F)(F)F)O1 ZINC000859315237 1008501350 /nfs/dbraw/zinc/50/13/50/1008501350.db2.gz IXGJEKMWIUKCCQ-RHSMWYFYSA-N 1 2 372.387 2.730 20 30 FFEDLO CC1(C)C[N@@H+](C[C@@H](O)COc2ccccc2C#N)C[C@](C)(C(F)(F)F)O1 ZINC000859315237 1008501352 /nfs/dbraw/zinc/50/13/52/1008501352.db2.gz IXGJEKMWIUKCCQ-RHSMWYFYSA-N 1 2 372.387 2.730 20 30 FFEDLO COC(=O)c1ccc(C(=[NH2+])Nc2ccc(C(=O)OC)c3ncccc23)cc1 ZINC001170983889 1008566800 /nfs/dbraw/zinc/56/68/00/1008566800.db2.gz HEVVGRIBKPHKNK-UHFFFAOYSA-N 1 2 363.373 2.845 20 30 FFEDLO CC(C)[C@@]1(C)CC(=O)N(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1=O ZINC000116868075 1008593641 /nfs/dbraw/zinc/59/36/41/1008593641.db2.gz CGNSYQFURUAZKX-OAQYLSRUSA-N 1 2 369.465 2.780 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)CCC1 ZINC000886205891 1008601174 /nfs/dbraw/zinc/60/11/74/1008601174.db2.gz BVUULXYADYHNPA-BZUAXINKSA-N 1 2 360.458 2.893 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)CCC1 ZINC000886205891 1008601183 /nfs/dbraw/zinc/60/11/83/1008601183.db2.gz BVUULXYADYHNPA-BZUAXINKSA-N 1 2 360.458 2.893 20 30 FFEDLO CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@H](C#N)Cc1cccs1)C2 ZINC001177908753 1008781379 /nfs/dbraw/zinc/78/13/79/1008781379.db2.gz NOKKKFZMVUQUDU-AWEZNQCLSA-N 1 2 371.510 2.579 20 30 FFEDLO CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@H](C#N)Cc1cccs1)C2 ZINC001177908753 1008781389 /nfs/dbraw/zinc/78/13/89/1008781389.db2.gz NOKKKFZMVUQUDU-AWEZNQCLSA-N 1 2 371.510 2.579 20 30 FFEDLO N#C[C@H](Cc1cccs1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001177912512 1008784099 /nfs/dbraw/zinc/78/40/99/1008784099.db2.gz QLXUFABDTOGLQF-DZGCQCFKSA-N 1 2 353.438 2.762 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2csc(-c3ccoc3)n2)C[C@H]1C ZINC001206620196 1032365573 /nfs/dbraw/zinc/36/55/73/1032365573.db2.gz MEWXWCRFLWMVRK-CZUORRHYSA-N 1 2 361.467 2.542 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2csc(-c3ccoc3)n2)C[C@H]1C ZINC001206620196 1032365580 /nfs/dbraw/zinc/36/55/80/1032365580.db2.gz MEWXWCRFLWMVRK-CZUORRHYSA-N 1 2 361.467 2.542 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cscc2Br)C[C@H]1C ZINC001206659750 1032376371 /nfs/dbraw/zinc/37/63/71/1032376371.db2.gz QEJCHTLBLJMMLL-GIPNMCIBSA-N 1 2 356.289 2.607 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cscc2Br)C[C@H]1C ZINC001206659750 1032376361 /nfs/dbraw/zinc/37/63/61/1032376361.db2.gz QEJCHTLBLJMMLL-GIPNMCIBSA-N 1 2 356.289 2.607 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2csc(-c3cccs3)n2)C[C@H]1C ZINC001206659017 1032377997 /nfs/dbraw/zinc/37/79/97/1032377997.db2.gz APNHVMVNROPRSX-YRGRVCCFSA-N 1 2 360.508 2.968 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2csc(-c3cccs3)n2)C[C@H]1C ZINC001206659017 1032378004 /nfs/dbraw/zinc/37/80/04/1032378004.db2.gz APNHVMVNROPRSX-YRGRVCCFSA-N 1 2 360.508 2.968 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cnc3ccccc31)C2 ZINC001110786970 1009092644 /nfs/dbraw/zinc/09/26/44/1009092644.db2.gz OPIONMNRKMWDCA-KYJSFNMBSA-N 1 2 358.873 2.900 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cnc3ccccc31)C2 ZINC001110786970 1009092656 /nfs/dbraw/zinc/09/26/56/1009092656.db2.gz OPIONMNRKMWDCA-KYJSFNMBSA-N 1 2 358.873 2.900 20 30 FFEDLO C#CCC1(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CCOCC1 ZINC000889116740 1009827863 /nfs/dbraw/zinc/82/78/63/1009827863.db2.gz PAKUGVPDYOOMOA-UHFFFAOYSA-N 1 2 372.856 2.897 20 30 FFEDLO Cc1c(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cnn1CCC#N ZINC000889275657 1009904271 /nfs/dbraw/zinc/90/42/71/1009904271.db2.gz TZXQLIUPSVMURG-SFHVURJKSA-N 1 2 362.437 2.553 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc4scnc4c3)CC2)c1C#N ZINC001180954070 1009911464 /nfs/dbraw/zinc/91/14/64/1009911464.db2.gz UBOGEUTYFAHAQL-UHFFFAOYSA-N 1 2 352.467 2.532 20 30 FFEDLO COc1ccc([C@@H]2CC[N@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)cc1F ZINC000863334544 1010181034 /nfs/dbraw/zinc/18/10/34/1010181034.db2.gz FDOPHUMNNHYFDR-OAHLLOKOSA-N 1 2 367.424 2.803 20 30 FFEDLO COc1ccc([C@@H]2CC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)cc1F ZINC000863334544 1010181040 /nfs/dbraw/zinc/18/10/40/1010181040.db2.gz FDOPHUMNNHYFDR-OAHLLOKOSA-N 1 2 367.424 2.803 20 30 FFEDLO COC[C@H](C)[N@H+](Cn1nc(CC#N)n(C)c1=S)[C@H]1CCc2ccccc21 ZINC000863338924 1010187088 /nfs/dbraw/zinc/18/70/88/1010187088.db2.gz XVUGMZUSQIHKKO-YOEHRIQHSA-N 1 2 371.510 2.999 20 30 FFEDLO COC[C@H](C)[N@@H+](Cn1nc(CC#N)n(C)c1=S)[C@H]1CCc2ccccc21 ZINC000863338924 1010187097 /nfs/dbraw/zinc/18/70/97/1010187097.db2.gz XVUGMZUSQIHKKO-YOEHRIQHSA-N 1 2 371.510 2.999 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)CCCC1(C)C ZINC000773946780 1010261249 /nfs/dbraw/zinc/26/12/49/1010261249.db2.gz YSWKDOUUVXPJHH-INIZCTEOSA-N 1 2 358.486 2.988 20 30 FFEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1=S ZINC000794710089 1010554702 /nfs/dbraw/zinc/55/47/02/1010554702.db2.gz ISLBQZLRLDETEA-IBGZPJMESA-N 1 2 371.510 2.730 20 30 FFEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+]2CC[C@](C)(C(N)=O)C2)c1=S ZINC000794710089 1010554708 /nfs/dbraw/zinc/55/47/08/1010554708.db2.gz ISLBQZLRLDETEA-IBGZPJMESA-N 1 2 371.510 2.730 20 30 FFEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001093784814 1010557737 /nfs/dbraw/zinc/55/77/37/1010557737.db2.gz LYWAJKIGLUPYRA-DFBGVHRSSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001093784814 1010557746 /nfs/dbraw/zinc/55/77/46/1010557746.db2.gz LYWAJKIGLUPYRA-DFBGVHRSSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001093785207 1010558220 /nfs/dbraw/zinc/55/82/20/1010558220.db2.gz QSMKSNSQQBERNK-KCPJHIHWSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001093785207 1010558230 /nfs/dbraw/zinc/55/82/30/1010558230.db2.gz QSMKSNSQQBERNK-KCPJHIHWSA-N 1 2 357.351 2.643 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cc(-c3cc(OC)ccc3Cl)no2)CC1 ZINC000865085815 1010709078 /nfs/dbraw/zinc/70/90/78/1010709078.db2.gz RBBNCOOHNSVJQK-UHFFFAOYSA-N 1 2 373.840 2.785 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccn(C(CC)CC)n2)C[C@H]1C ZINC001206915857 1032495736 /nfs/dbraw/zinc/49/57/36/1032495736.db2.gz MLRSWPYSAOVELZ-ZTNFWEORSA-N 1 2 362.518 2.508 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(CC)CC)n2)C[C@H]1C ZINC001206915857 1032495744 /nfs/dbraw/zinc/49/57/44/1032495744.db2.gz MLRSWPYSAOVELZ-ZTNFWEORSA-N 1 2 362.518 2.508 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2F)C[C@H]1C ZINC001206915876 1032498032 /nfs/dbraw/zinc/49/80/32/1032498032.db2.gz NGCKUXGHUAFJCW-DWQUBVKVSA-N 1 2 354.853 2.743 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2F)C[C@H]1C ZINC001206915876 1032498041 /nfs/dbraw/zinc/49/80/41/1032498041.db2.gz NGCKUXGHUAFJCW-DWQUBVKVSA-N 1 2 354.853 2.743 20 30 FFEDLO C#C[C@@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000825567416 1010792683 /nfs/dbraw/zinc/79/26/83/1010792683.db2.gz YMZVGHJYXDYZSJ-NHCUHLMSSA-N 1 2 363.461 2.561 20 30 FFEDLO C#C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000825567416 1010792687 /nfs/dbraw/zinc/79/26/87/1010792687.db2.gz YMZVGHJYXDYZSJ-NHCUHLMSSA-N 1 2 363.461 2.561 20 30 FFEDLO C#CCOc1ccccc1C[N@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000121110765 1011010997 /nfs/dbraw/zinc/01/09/97/1011010997.db2.gz VIISZEMQBWRBAW-KRWDZBQOSA-N 1 2 353.418 2.765 20 30 FFEDLO C#CCOc1ccccc1C[N@@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000121110765 1011011003 /nfs/dbraw/zinc/01/10/03/1011011003.db2.gz VIISZEMQBWRBAW-KRWDZBQOSA-N 1 2 353.418 2.765 20 30 FFEDLO COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(F)cc1C#N ZINC001275038680 1011845742 /nfs/dbraw/zinc/84/57/42/1011845742.db2.gz OCVUHLULPUXNKA-QZTJIDSGSA-N 1 2 359.445 2.688 20 30 FFEDLO COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(F)cc1C#N ZINC001275038680 1011845755 /nfs/dbraw/zinc/84/57/55/1011845755.db2.gz OCVUHLULPUXNKA-QZTJIDSGSA-N 1 2 359.445 2.688 20 30 FFEDLO C=C[C@H]1C[C@@]1([NH2+]C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C)C(=O)OCC ZINC001172811948 1012033571 /nfs/dbraw/zinc/03/35/71/1012033571.db2.gz FNSBKLRYFKXGDU-GAOHTFMZSA-N 1 2 362.470 2.790 20 30 FFEDLO C=CCN1CC[C@@]2(CC[N@@H+](Cc3c(F)c(F)c(F)c(F)c3F)C2)C1=O ZINC001275200840 1012069652 /nfs/dbraw/zinc/06/96/52/1012069652.db2.gz LUCPRWWEKGXOPH-QGZVFWFLSA-N 1 2 360.326 2.993 20 30 FFEDLO C=CCN1CC[C@@]2(CC[N@H+](Cc3c(F)c(F)c(F)c(F)c3F)C2)C1=O ZINC001275200840 1012069668 /nfs/dbraw/zinc/06/96/68/1012069668.db2.gz LUCPRWWEKGXOPH-QGZVFWFLSA-N 1 2 360.326 2.993 20 30 FFEDLO C=CCOC(=O)C[C@H]([NH2+]C1CCC(OCCC)CC1)C(=O)OCC=C ZINC001173094091 1012229731 /nfs/dbraw/zinc/22/97/31/1012229731.db2.gz RJFYNUSIMMWQIY-JCYILVPMSA-N 1 2 353.459 2.531 20 30 FFEDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@H]3SC(=O)C=C3C2)c1F ZINC001173187545 1012328800 /nfs/dbraw/zinc/32/88/00/1012328800.db2.gz XHWAGHYTLOPADE-MEBBXXQBSA-N 1 2 366.414 2.948 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)c1cnccn1 ZINC001095124993 1012501234 /nfs/dbraw/zinc/50/12/34/1012501234.db2.gz LROGULOWPIFNIC-AOIWGVFYSA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)c1cnccn1 ZINC001095124993 1012501249 /nfs/dbraw/zinc/50/12/49/1012501249.db2.gz LROGULOWPIFNIC-AOIWGVFYSA-N 1 2 366.852 2.517 20 30 FFEDLO C#CCN1C[C@@]2(F)C[N@@H+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@]2(F)C1=O ZINC001275478709 1012512312 /nfs/dbraw/zinc/51/23/12/1012512312.db2.gz WWMLMAPOBRZUBT-QNDJGXFYSA-N 1 2 364.823 2.651 20 30 FFEDLO C#CCN1C[C@@]2(F)C[N@H+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@]2(F)C1=O ZINC001275478709 1012512324 /nfs/dbraw/zinc/51/23/24/1012512324.db2.gz WWMLMAPOBRZUBT-QNDJGXFYSA-N 1 2 364.823 2.651 20 30 FFEDLO CC(C)(C)OC(=O)C(C)(C)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173426590 1012579534 /nfs/dbraw/zinc/57/95/34/1012579534.db2.gz JQQWGMHXWBBUTO-UHFFFAOYSA-N 1 2 371.481 2.873 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2nc(-c3cccc(C)c3)no2)cc1OC ZINC000123333639 1012580760 /nfs/dbraw/zinc/58/07/60/1012580760.db2.gz KQDPCLXUXGIYLJ-UHFFFAOYSA-N 1 2 368.393 2.899 20 30 FFEDLO Cn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001095183859 1012663934 /nfs/dbraw/zinc/66/39/34/1012663934.db2.gz UJGJEYXOBQJHTK-QYZOEREBSA-N 1 2 351.425 2.551 20 30 FFEDLO Cn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001095183859 1012663945 /nfs/dbraw/zinc/66/39/45/1012663945.db2.gz UJGJEYXOBQJHTK-QYZOEREBSA-N 1 2 351.425 2.551 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Br)cc1F ZINC001275725151 1012929925 /nfs/dbraw/zinc/92/99/25/1012929925.db2.gz XRUAPGWNNZVHBU-HZPDHXFCSA-N 1 2 365.246 2.787 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Br)cc1F ZINC001275725151 1012929939 /nfs/dbraw/zinc/92/99/39/1012929939.db2.gz XRUAPGWNNZVHBU-HZPDHXFCSA-N 1 2 365.246 2.787 20 30 FFEDLO N#CCc1ccnc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000871719835 1013042426 /nfs/dbraw/zinc/04/24/26/1013042426.db2.gz NWRCVFZEFZRFMN-UHFFFAOYSA-N 1 2 350.426 2.855 20 30 FFEDLO Cc1cn(C(C)(C)C(=O)N[C@H]2CCN(c3cccc(F)c3C#N)[C@@H]2C)c[nH+]1 ZINC001051209641 1017253046 /nfs/dbraw/zinc/25/30/46/1017253046.db2.gz XGNKZCVJWRVERW-PBHICJAKSA-N 1 2 369.444 2.721 20 30 FFEDLO O=C(Cc1cncs1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001097272543 1017287579 /nfs/dbraw/zinc/28/75/79/1017287579.db2.gz SJWFEDBBQYSWRB-QRQLOZEOSA-N 1 2 369.465 2.598 20 30 FFEDLO O=C(Cc1cncs1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001097272543 1017287585 /nfs/dbraw/zinc/28/75/85/1017287585.db2.gz SJWFEDBBQYSWRB-QRQLOZEOSA-N 1 2 369.465 2.598 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3[nH]ccc3c1)C2 ZINC001097272463 1017287774 /nfs/dbraw/zinc/28/77/74/1017287774.db2.gz OWIPLFFPFOFZFA-AQNXPRMDSA-N 1 2 371.444 2.921 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3[nH]ccc3c1)C2 ZINC001097272463 1017287781 /nfs/dbraw/zinc/28/77/81/1017287781.db2.gz OWIPLFFPFOFZFA-AQNXPRMDSA-N 1 2 371.444 2.921 20 30 FFEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC001052027657 1017313817 /nfs/dbraw/zinc/31/38/17/1017313817.db2.gz IDWXUCHVHUVNJO-BDTNDASRSA-N 1 2 367.537 2.975 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(-c3nc[nH]n3)c1)C2 ZINC001097633826 1017734319 /nfs/dbraw/zinc/73/43/19/1017734319.db2.gz WUUAOXPGXDYHKF-OAGGEKHMSA-N 1 2 357.845 2.559 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(-c3nc[nH]n3)c1)C2 ZINC001097633826 1017734326 /nfs/dbraw/zinc/73/43/26/1017734326.db2.gz WUUAOXPGXDYHKF-OAGGEKHMSA-N 1 2 357.845 2.559 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)c1 ZINC001097813410 1017976432 /nfs/dbraw/zinc/97/64/32/1017976432.db2.gz XAPQAJVCAWVKFQ-NRSPTQNISA-N 1 2 374.419 2.609 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)c1 ZINC001097813410 1017976438 /nfs/dbraw/zinc/97/64/38/1017976438.db2.gz XAPQAJVCAWVKFQ-NRSPTQNISA-N 1 2 374.419 2.609 20 30 FFEDLO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C#N)cc1Br ZINC001137635751 1032736222 /nfs/dbraw/zinc/73/62/22/1032736222.db2.gz QXRSYWQFMYMISX-KRWDZBQOSA-N 1 2 362.271 2.908 20 30 FFEDLO CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C#N)cc1Br ZINC001137635751 1032736234 /nfs/dbraw/zinc/73/62/34/1032736234.db2.gz QXRSYWQFMYMISX-KRWDZBQOSA-N 1 2 362.271 2.908 20 30 FFEDLO Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2cccc(Cl)c2)n1 ZINC001096135555 1018784014 /nfs/dbraw/zinc/78/40/14/1018784014.db2.gz TUCQLTBRJHHNLI-SQNIBIBYSA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2cccc(Cl)c2)n1 ZINC001096135555 1018784027 /nfs/dbraw/zinc/78/40/27/1018784027.db2.gz TUCQLTBRJHHNLI-SQNIBIBYSA-N 1 2 368.868 2.758 20 30 FFEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001042638789 1019088444 /nfs/dbraw/zinc/08/84/44/1019088444.db2.gz SXVQQLFWEMVYGA-ROUUACIJSA-N 1 2 370.403 2.691 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001067614199 1019089504 /nfs/dbraw/zinc/08/95/04/1019089504.db2.gz HKOKQTGFWITOCP-KSZLIROESA-N 1 2 358.486 2.584 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cc[nH+]c(C)n1 ZINC001067721018 1019118258 /nfs/dbraw/zinc/11/82/58/1019118258.db2.gz ISRPVLDKTRMLHA-FTEYMNFISA-N 1 2 364.449 2.570 20 30 FFEDLO Cc1ccc(-c2noc([C@H](C)N3CC[NH+](CCO[C@H](C)C#N)CC3)n2)cc1 ZINC000801915812 1019508222 /nfs/dbraw/zinc/50/82/22/1019508222.db2.gz VCDOBLANUSNSNA-SJORKVTESA-N 1 2 369.469 2.652 20 30 FFEDLO Cc1ccc(-c2noc([C@@H](C)N3CC[NH+](CCO[C@@H](C)C#N)CC3)n2)cc1 ZINC000801915809 1019508671 /nfs/dbraw/zinc/50/86/71/1019508671.db2.gz VCDOBLANUSNSNA-DLBZAZTESA-N 1 2 369.469 2.652 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001043916020 1019600252 /nfs/dbraw/zinc/60/02/52/1019600252.db2.gz PWICGMVEUHNJAK-SJORKVTESA-N 1 2 368.399 2.939 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cn(C)nc2C(F)F)C1 ZINC001095982948 1019696731 /nfs/dbraw/zinc/69/67/31/1019696731.db2.gz NRWNFKISIJUNET-ILXRZTDVSA-N 1 2 364.440 2.936 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cn(C)nc2C(F)F)C1 ZINC001095982948 1019696738 /nfs/dbraw/zinc/69/67/38/1019696738.db2.gz NRWNFKISIJUNET-ILXRZTDVSA-N 1 2 364.440 2.936 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)c(C)s2)c1 ZINC001095987286 1019706585 /nfs/dbraw/zinc/70/65/85/1019706585.db2.gz BPUJSQDQUFWKRT-SQNIBIBYSA-N 1 2 366.490 2.672 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)c(C)s2)c1 ZINC001095987286 1019706598 /nfs/dbraw/zinc/70/65/98/1019706598.db2.gz BPUJSQDQUFWKRT-SQNIBIBYSA-N 1 2 366.490 2.672 20 30 FFEDLO C[C@@H](c1cccc(NC(=O)NCC#C[C@H]2CCCCO2)c1)[NH+]1CCOCC1 ZINC000930229534 1019935401 /nfs/dbraw/zinc/93/54/01/1019935401.db2.gz QOWUBZOZAZQROC-FXAWDEMLSA-N 1 2 371.481 2.774 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)CCC)CC1 ZINC001110989531 1020023609 /nfs/dbraw/zinc/02/36/09/1020023609.db2.gz OTFKWNLMWJYZDJ-MLHJIOFPSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)CCC)CC1 ZINC001110989531 1020023622 /nfs/dbraw/zinc/02/36/22/1020023622.db2.gz OTFKWNLMWJYZDJ-MLHJIOFPSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1OCCOC)C2 ZINC001111428502 1020059504 /nfs/dbraw/zinc/05/95/04/1020059504.db2.gz AOQHMFVTIRQDNP-OIISXLGYSA-N 1 2 364.873 2.799 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1OCCOC)C2 ZINC001111428502 1020059509 /nfs/dbraw/zinc/05/95/09/1020059509.db2.gz AOQHMFVTIRQDNP-OIISXLGYSA-N 1 2 364.873 2.799 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(OC)cc1F)C2 ZINC001098135715 1020237649 /nfs/dbraw/zinc/23/76/49/1020237649.db2.gz HQEWRWYBNZIIIQ-XYPHTWIQSA-N 1 2 352.837 2.851 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(OC)cc1F)C2 ZINC001098135715 1020237656 /nfs/dbraw/zinc/23/76/56/1020237656.db2.gz HQEWRWYBNZIIIQ-XYPHTWIQSA-N 1 2 352.837 2.851 20 30 FFEDLO CCn1nc(C)cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001096056171 1020335561 /nfs/dbraw/zinc/33/55/61/1020335561.db2.gz ZGWNJRMEAAWPNL-AABGKKOBSA-N 1 2 362.477 2.598 20 30 FFEDLO CCn1nc(C)cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001096056171 1020335565 /nfs/dbraw/zinc/33/55/65/1020335565.db2.gz ZGWNJRMEAAWPNL-AABGKKOBSA-N 1 2 362.477 2.598 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)c1ccnnc1 ZINC001096058619 1020344157 /nfs/dbraw/zinc/34/41/57/1020344157.db2.gz WHDHSJJXVSHRSP-QYZOEREBSA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)c1ccnnc1 ZINC001096058619 1020344164 /nfs/dbraw/zinc/34/41/64/1020344164.db2.gz WHDHSJJXVSHRSP-QYZOEREBSA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1c[nH]nc1C1CC1 ZINC001098143200 1020451839 /nfs/dbraw/zinc/45/18/39/1020451839.db2.gz GNJYPFXNMBBWDQ-RLLQIKCJSA-N 1 2 360.461 2.674 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1c[nH]nc1C1CC1 ZINC001098143200 1020451850 /nfs/dbraw/zinc/45/18/50/1020451850.db2.gz GNJYPFXNMBBWDQ-RLLQIKCJSA-N 1 2 360.461 2.674 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(CC)o1 ZINC001074067683 1020631304 /nfs/dbraw/zinc/63/13/04/1020631304.db2.gz MFLSFHYWNUOYLE-NXHRZFHOSA-N 1 2 361.486 2.641 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(CC)o1 ZINC001074067683 1020631306 /nfs/dbraw/zinc/63/13/06/1020631306.db2.gz MFLSFHYWNUOYLE-NXHRZFHOSA-N 1 2 361.486 2.641 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)s1 ZINC001074067718 1020632448 /nfs/dbraw/zinc/63/24/48/1020632448.db2.gz NRDIMXOTOZIIOW-ZACQAIPSSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)s1 ZINC001074067718 1020632451 /nfs/dbraw/zinc/63/24/51/1020632451.db2.gz NRDIMXOTOZIIOW-ZACQAIPSSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1CC ZINC001049046347 1020700021 /nfs/dbraw/zinc/70/00/21/1020700021.db2.gz BUCGPCXFHXTIAS-HCXYKTFWSA-N 1 2 372.513 2.857 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(OC)c(OC)c1)C2 ZINC001096471601 1020740410 /nfs/dbraw/zinc/74/04/10/1020740410.db2.gz CYVFYVYWYWQPBE-PMPSAXMXSA-N 1 2 364.873 2.720 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(OC)c(OC)c1)C2 ZINC001096471601 1020740417 /nfs/dbraw/zinc/74/04/17/1020740417.db2.gz CYVFYVYWYWQPBE-PMPSAXMXSA-N 1 2 364.873 2.720 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(Cl)no2)C3)s1 ZINC001098260269 1020771151 /nfs/dbraw/zinc/77/11/51/1020771151.db2.gz XPRQMLYGTYEPGS-WQAKAFBOSA-N 1 2 362.842 2.796 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(Cl)no2)C3)s1 ZINC001098260269 1020771159 /nfs/dbraw/zinc/77/11/59/1020771159.db2.gz XPRQMLYGTYEPGS-WQAKAFBOSA-N 1 2 362.842 2.796 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000932693123 1020873865 /nfs/dbraw/zinc/87/38/65/1020873865.db2.gz IRJZRSCJMQSXTP-IBGZPJMESA-N 1 2 363.433 2.549 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000932693123 1020873866 /nfs/dbraw/zinc/87/38/66/1020873866.db2.gz IRJZRSCJMQSXTP-IBGZPJMESA-N 1 2 363.433 2.549 20 30 FFEDLO CN(C)c1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)nc1 ZINC001098477216 1020946201 /nfs/dbraw/zinc/94/62/01/1020946201.db2.gz GOQXDROLTIACPN-QIJUGHKUSA-N 1 2 374.488 2.534 20 30 FFEDLO CN(C)c1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)nc1 ZINC001098477216 1020946206 /nfs/dbraw/zinc/94/62/06/1020946206.db2.gz GOQXDROLTIACPN-QIJUGHKUSA-N 1 2 374.488 2.534 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000933626871 1021052533 /nfs/dbraw/zinc/05/25/33/1021052533.db2.gz CIICPGSPHOFNLV-RTBURBONSA-N 1 2 353.378 2.573 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000933626871 1021052536 /nfs/dbraw/zinc/05/25/36/1021052536.db2.gz CIICPGSPHOFNLV-RTBURBONSA-N 1 2 353.378 2.573 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000749844795 1021054927 /nfs/dbraw/zinc/05/49/27/1021054927.db2.gz NPPRCIGHKNWNQZ-YOEHRIQHSA-N 1 2 372.469 2.826 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000749844795 1021054932 /nfs/dbraw/zinc/05/49/32/1021054932.db2.gz NPPRCIGHKNWNQZ-YOEHRIQHSA-N 1 2 372.469 2.826 20 30 FFEDLO CCOC(=O)[C@@H](CCc1ccccc1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933644081 1021056125 /nfs/dbraw/zinc/05/61/25/1021056125.db2.gz JJIRVUPPUKJQAW-LJQANCHMSA-N 1 2 357.450 2.889 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)c(I)c1 ZINC001218011831 1032951332 /nfs/dbraw/zinc/95/13/32/1032951332.db2.gz XNNHSLRSBHPOKC-LLVKDONJSA-N 1 2 364.133 2.539 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2ncc(C4CC4)o2)C3)[nH]1 ZINC001098797738 1021156454 /nfs/dbraw/zinc/15/64/54/1021156454.db2.gz OMWGVXVZZNXETG-XOBRGWDASA-N 1 2 365.437 2.536 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2ncc(C4CC4)o2)C3)[nH]1 ZINC001098797738 1021156456 /nfs/dbraw/zinc/15/64/56/1021156456.db2.gz OMWGVXVZZNXETG-XOBRGWDASA-N 1 2 365.437 2.536 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(F)cn2)C1 ZINC001098804242 1021164786 /nfs/dbraw/zinc/16/47/86/1021164786.db2.gz QIMGJHOCAQFHIP-LRDDRELGSA-N 1 2 368.250 2.714 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(F)cn2)C1 ZINC001098804242 1021164791 /nfs/dbraw/zinc/16/47/91/1021164791.db2.gz QIMGJHOCAQFHIP-LRDDRELGSA-N 1 2 368.250 2.714 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934418555 1021228508 /nfs/dbraw/zinc/22/85/08/1021228508.db2.gz OUHYELBYKQTREG-QRWLVFNGSA-N 1 2 353.470 2.951 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934418555 1021228517 /nfs/dbraw/zinc/22/85/17/1021228517.db2.gz OUHYELBYKQTREG-QRWLVFNGSA-N 1 2 353.470 2.951 20 30 FFEDLO CN(C(=O)C[N@H+]1Cc2ncccc2N2CCC[C@H]2C1)C1(C#N)CCCCC1 ZINC000934489557 1021257078 /nfs/dbraw/zinc/25/70/78/1021257078.db2.gz FGYAZXFVBZSDJF-KRWDZBQOSA-N 1 2 367.497 2.551 20 30 FFEDLO CN(C(=O)C[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1)C1(C#N)CCCCC1 ZINC000934489557 1021257085 /nfs/dbraw/zinc/25/70/85/1021257085.db2.gz FGYAZXFVBZSDJF-KRWDZBQOSA-N 1 2 367.497 2.551 20 30 FFEDLO Cc1cc(C)c(C(=O)NC[C@]23CCC[C@H]2CN(C(=O)[C@@H](C)C#N)C3)c(C)[nH+]1 ZINC001009539328 1021395100 /nfs/dbraw/zinc/39/51/00/1021395100.db2.gz RFTQICQVLQXCRT-LFRPXUGBSA-N 1 2 368.481 2.525 20 30 FFEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001015319285 1021912345 /nfs/dbraw/zinc/91/23/45/1021912345.db2.gz RDHSHNJLGWHFPT-OJAHFUOMSA-N 1 2 372.896 2.697 20 30 FFEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001015319285 1021912353 /nfs/dbraw/zinc/91/23/53/1021912353.db2.gz RDHSHNJLGWHFPT-OJAHFUOMSA-N 1 2 372.896 2.697 20 30 FFEDLO N#Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC23CC3)C[C@H]1C(F)(F)F ZINC001099313332 1022276838 /nfs/dbraw/zinc/27/68/38/1022276838.db2.gz CHLQAEGFOGKTPE-BZUAXINKSA-N 1 2 363.383 2.837 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(CC)s3)[C@H]2C1 ZINC001222547396 1033044894 /nfs/dbraw/zinc/04/48/94/1033044894.db2.gz OSJKYANRBQISLD-CVEARBPZSA-N 1 2 360.527 2.717 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(CC)s3)[C@H]2C1 ZINC001222547396 1033044908 /nfs/dbraw/zinc/04/49/08/1033044908.db2.gz OSJKYANRBQISLD-CVEARBPZSA-N 1 2 360.527 2.717 20 30 FFEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158191766 1022487156 /nfs/dbraw/zinc/48/71/56/1022487156.db2.gz JDEJRZRKJBERSU-CYBMUJFWSA-N 1 2 371.412 2.617 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cc(F)ccc1OC ZINC001038267665 1022641357 /nfs/dbraw/zinc/64/13/57/1022641357.db2.gz XWTAWOHZXCSVDH-KSZLIROESA-N 1 2 362.445 2.506 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(F)ccc1OC ZINC001038267665 1022641364 /nfs/dbraw/zinc/64/13/64/1022641364.db2.gz XWTAWOHZXCSVDH-KSZLIROESA-N 1 2 362.445 2.506 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001038277642 1022650006 /nfs/dbraw/zinc/65/00/06/1022650006.db2.gz WUTHCOFVXORNAG-DJABAAGCSA-N 1 2 365.477 2.860 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001038277642 1022650016 /nfs/dbraw/zinc/65/00/16/1022650016.db2.gz WUTHCOFVXORNAG-DJABAAGCSA-N 1 2 365.477 2.860 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C4CCCC4)no3)[C@H]2C1 ZINC001222617844 1033076091 /nfs/dbraw/zinc/07/60/91/1033076091.db2.gz OUMKKBJZPFBDFD-AEFFLSMTSA-N 1 2 370.497 2.954 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C4CCCC4)no3)[C@H]2C1 ZINC001222617844 1033076105 /nfs/dbraw/zinc/07/61/05/1033076105.db2.gz OUMKKBJZPFBDFD-AEFFLSMTSA-N 1 2 370.497 2.954 20 30 FFEDLO CCC[C@H](C)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CCOC ZINC001122344390 1023205440 /nfs/dbraw/zinc/20/54/40/1023205440.db2.gz GZUQBCAKJPETHT-INIZCTEOSA-N 1 2 362.522 2.642 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2cccc(C)c2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001122395499 1023240504 /nfs/dbraw/zinc/24/05/04/1023240504.db2.gz OJMDDXBTINWBHD-NQIIRXRSSA-N 1 2 369.513 2.711 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2cccc(C)c2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001122395499 1023240511 /nfs/dbraw/zinc/24/05/11/1023240511.db2.gz OJMDDXBTINWBHD-NQIIRXRSSA-N 1 2 369.513 2.711 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC[C@@H](OC2CCC2)C1 ZINC001122487978 1023300899 /nfs/dbraw/zinc/30/08/99/1023300899.db2.gz NCMRYVQHJHJLAL-GOSISDBHSA-N 1 2 359.518 2.988 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001122523855 1023317547 /nfs/dbraw/zinc/31/75/47/1023317547.db2.gz OMGFRIGRQXROOJ-DOTOQJQBSA-N 1 2 363.469 2.957 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@H](C2CCC2)C1 ZINC001122567957 1023343268 /nfs/dbraw/zinc/34/32/68/1023343268.db2.gz UHPBKSNSRMWEDW-IBGZPJMESA-N 1 2 373.545 2.685 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c(C)n1-c1ccc(C#N)cc1 ZINC000779213402 1023374099 /nfs/dbraw/zinc/37/40/99/1023374099.db2.gz IIHBXCDOXBYOIN-KRWDZBQOSA-N 1 2 359.433 2.907 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@H]([C@H]2CCOC2)C1 ZINC001122623098 1023375787 /nfs/dbraw/zinc/37/57/87/1023375787.db2.gz PZEWVQGGYFLTSG-BZSNNMDCSA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H]([C@H]2CCOC2)C1 ZINC001122623098 1023375793 /nfs/dbraw/zinc/37/57/93/1023375793.db2.gz PZEWVQGGYFLTSG-BZSNNMDCSA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c(Nc2ccn(CC)n2)nnc1[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001122630296 1023378720 /nfs/dbraw/zinc/37/87/20/1023378720.db2.gz XDUUZHRPSPPRHT-HNNXBMFYSA-N 1 2 359.478 2.596 20 30 FFEDLO C=C(C)Cn1c(Nc2ccn(CC)n2)nnc1[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001122630296 1023378727 /nfs/dbraw/zinc/37/87/27/1023378727.db2.gz XDUUZHRPSPPRHT-HNNXBMFYSA-N 1 2 359.478 2.596 20 30 FFEDLO Cc1nn(Cc2ccccc2)c(C)c1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753928649 1023400191 /nfs/dbraw/zinc/40/01/91/1023400191.db2.gz LYTJPEFTHVUWEM-KDURUIRLSA-N 1 2 350.470 2.742 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3SCCCS3)n2CC(C)C)CC1 ZINC001122744391 1023444141 /nfs/dbraw/zinc/44/41/41/1023444141.db2.gz RDYGHJGKWJRRRH-UHFFFAOYSA-N 1 2 365.572 2.558 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3CCCC[N@H+]3C)n2C[C@H]2CCOC2)C1 ZINC001123050899 1023611771 /nfs/dbraw/zinc/61/17/71/1023611771.db2.gz RGBCCVUMSHXMON-GUDVDZBRSA-N 1 2 371.529 2.711 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2C[C@H]2CCOC2)C1 ZINC001123050899 1023611777 /nfs/dbraw/zinc/61/17/77/1023611777.db2.gz RGBCCVUMSHXMON-GUDVDZBRSA-N 1 2 371.529 2.711 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001100740902 1023673662 /nfs/dbraw/zinc/67/36/62/1023673662.db2.gz VRCBOAOXJLYRPJ-WMZOPIPTSA-N 1 2 360.502 2.832 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)Cc1ccoc1C ZINC001121492350 1023807304 /nfs/dbraw/zinc/80/73/04/1023807304.db2.gz FGCXUTWTEYDCLU-ROUUACIJSA-N 1 2 371.485 2.928 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)Cc1ccoc1C ZINC001121492350 1023807311 /nfs/dbraw/zinc/80/73/11/1023807311.db2.gz FGCXUTWTEYDCLU-ROUUACIJSA-N 1 2 371.485 2.928 20 30 FFEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@](CC)(C2CC2)C1=O ZINC000758197467 1023954878 /nfs/dbraw/zinc/95/48/78/1023954878.db2.gz QSDAPOBSFQQLOW-HXUWFJFHSA-N 1 2 354.454 2.838 20 30 FFEDLO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@](CC)(C2CC2)C1=O ZINC000758197467 1023954886 /nfs/dbraw/zinc/95/48/86/1023954886.db2.gz QSDAPOBSFQQLOW-HXUWFJFHSA-N 1 2 354.454 2.838 20 30 FFEDLO C=C/C(C)=C\CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218486019 1033177095 /nfs/dbraw/zinc/17/70/95/1033177095.db2.gz BFWBPISJZUFIJS-KCKKPOFNSA-N 1 2 357.479 2.554 20 30 FFEDLO C=C/C(C)=C\CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218486019 1033177097 /nfs/dbraw/zinc/17/70/97/1033177097.db2.gz BFWBPISJZUFIJS-KCKKPOFNSA-N 1 2 357.479 2.554 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2C[N@H+](CC(=O)Nc3ccccc3F)C[C@@]2(C)C1 ZINC001101165230 1023981337 /nfs/dbraw/zinc/98/13/37/1023981337.db2.gz PTUPZWZWDGYHLU-QRWLVFNGSA-N 1 2 359.445 2.511 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+](CC(=O)Nc3ccccc3F)C[C@@]2(C)C1 ZINC001101165230 1023981349 /nfs/dbraw/zinc/98/13/49/1023981349.db2.gz PTUPZWZWDGYHLU-QRWLVFNGSA-N 1 2 359.445 2.511 20 30 FFEDLO CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(CCC#N)CCC(C)C ZINC001121804107 1024044911 /nfs/dbraw/zinc/04/49/11/1024044911.db2.gz OHWHZHNADMORIF-ROUUACIJSA-N 1 2 374.533 2.990 20 30 FFEDLO CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(CCC#N)CCC(C)C ZINC001121804107 1024044919 /nfs/dbraw/zinc/04/49/19/1024044919.db2.gz OHWHZHNADMORIF-ROUUACIJSA-N 1 2 374.533 2.990 20 30 FFEDLO C#CCCN(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000829501490 1033186923 /nfs/dbraw/zinc/18/69/23/1033186923.db2.gz HYLPGBKPGDQLCX-UHFFFAOYSA-N 1 2 366.299 2.808 20 30 FFEDLO C#CC[NH2+]CC(=O)Nc1[nH]nc(-c2ccc(Br)cc2)c1CC ZINC001121876198 1024124969 /nfs/dbraw/zinc/12/49/69/1024124969.db2.gz NDTBGSDQQCXHDB-UHFFFAOYSA-N 1 2 361.243 2.563 20 30 FFEDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3ccccc3C#N)CC2)c1O ZINC000079409376 1024261046 /nfs/dbraw/zinc/26/10/46/1024261046.db2.gz YWLKTGBJQUTLNW-UHFFFAOYSA-N 1 2 353.397 2.928 20 30 FFEDLO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C1CC1)C2 ZINC001111358895 1024361592 /nfs/dbraw/zinc/36/15/92/1024361592.db2.gz AQUQGAYECYSRFW-JFOHDYCDSA-N 1 2 373.522 2.651 20 30 FFEDLO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C1CC1)C2 ZINC001111358895 1024361609 /nfs/dbraw/zinc/36/16/09/1024361609.db2.gz AQUQGAYECYSRFW-JFOHDYCDSA-N 1 2 373.522 2.651 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@@H+]([C@H](C)c3nnc(C)[nH]3)C[C@@]2(C)C1 ZINC001101325430 1024454201 /nfs/dbraw/zinc/45/42/01/1024454201.db2.gz RYGNSBQMMMYGGS-MDYRTPRTSA-N 1 2 357.502 2.538 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@H+]([C@H](C)c3nnc(C)[nH]3)C[C@@]2(C)C1 ZINC001101325430 1024454208 /nfs/dbraw/zinc/45/42/08/1024454208.db2.gz RYGNSBQMMMYGGS-MDYRTPRTSA-N 1 2 357.502 2.538 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C(C)(C)C)C[C@@]2(C)C1 ZINC001101333238 1024475643 /nfs/dbraw/zinc/47/56/43/1024475643.db2.gz MQPATECXIJIXEL-UTKZUKDTSA-N 1 2 371.529 2.507 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C(C)(C)C)C[C@@]2(C)C1 ZINC001101333238 1024475647 /nfs/dbraw/zinc/47/56/47/1024475647.db2.gz MQPATECXIJIXEL-UTKZUKDTSA-N 1 2 371.529 2.507 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000951584401 1024590795 /nfs/dbraw/zinc/59/07/95/1024590795.db2.gz IWUDOBLVAGJSKM-SFTDATJTSA-N 1 2 370.493 2.732 20 30 FFEDLO CCCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)[nH]n1 ZINC001095847040 1024834014 /nfs/dbraw/zinc/83/40/14/1024834014.db2.gz YWOCVNJIXZOMOS-DYXWJJEUSA-N 1 2 362.477 2.749 20 30 FFEDLO CCCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)[nH]n1 ZINC001095847040 1024834037 /nfs/dbraw/zinc/83/40/37/1024834037.db2.gz YWOCVNJIXZOMOS-DYXWJJEUSA-N 1 2 362.477 2.749 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)C3(COCC)CC3)C[C@@H]21 ZINC001223013601 1033243467 /nfs/dbraw/zinc/24/34/67/1033243467.db2.gz PBMOCPLOCRTSPG-CABCVRRESA-N 1 2 371.319 2.635 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3(COCC)CC3)C[C@@H]21 ZINC001223013601 1033243478 /nfs/dbraw/zinc/24/34/78/1033243478.db2.gz PBMOCPLOCRTSPG-CABCVRRESA-N 1 2 371.319 2.635 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ncc(C(F)(F)F)cc1F ZINC001276857549 1033251626 /nfs/dbraw/zinc/25/16/26/1033251626.db2.gz NRKBSDQKUCETGZ-KRWDZBQOSA-N 1 2 369.362 2.830 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ncc(C(F)(F)F)cc1F ZINC001276857549 1033251636 /nfs/dbraw/zinc/25/16/36/1033251636.db2.gz NRKBSDQKUCETGZ-KRWDZBQOSA-N 1 2 369.362 2.830 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866262 1025150980 /nfs/dbraw/zinc/15/09/80/1025150980.db2.gz WNEILFNCNBSHQV-INIZCTEOSA-N 1 2 363.477 2.769 20 30 FFEDLO CC(C)CCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218689162 1033281775 /nfs/dbraw/zinc/28/17/75/1033281775.db2.gz VCUXSSURSBGJTO-ZWKOTPCHSA-N 1 2 361.511 2.858 20 30 FFEDLO CC(C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218689162 1033281782 /nfs/dbraw/zinc/28/17/82/1033281782.db2.gz VCUXSSURSBGJTO-ZWKOTPCHSA-N 1 2 361.511 2.858 20 30 FFEDLO N#Cc1cc(F)ccc1CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC001141164101 1025548529 /nfs/dbraw/zinc/54/85/29/1025548529.db2.gz JTPSNIDRZLCJQM-UHFFFAOYSA-N 1 2 353.397 2.744 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001102261453 1025656987 /nfs/dbraw/zinc/65/69/87/1025656987.db2.gz ZNJAUZARUIOHQE-JHJVBQTASA-N 1 2 356.417 2.794 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001102261453 1025656993 /nfs/dbraw/zinc/65/69/93/1025656993.db2.gz ZNJAUZARUIOHQE-JHJVBQTASA-N 1 2 356.417 2.794 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)CCCO1 ZINC000839135466 1026599114 /nfs/dbraw/zinc/59/91/14/1026599114.db2.gz DKNNITDMNICZGE-SFHVURJKSA-N 1 2 362.445 2.793 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CCCO1 ZINC000839135466 1026599119 /nfs/dbraw/zinc/59/91/19/1026599119.db2.gz DKNNITDMNICZGE-SFHVURJKSA-N 1 2 362.445 2.793 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)Nc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000840306885 1027041067 /nfs/dbraw/zinc/04/10/67/1027041067.db2.gz YPMYJPGCMJSPEG-QXAKKESOSA-N 1 2 350.466 2.730 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)Nc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000840306885 1027041074 /nfs/dbraw/zinc/04/10/74/1027041074.db2.gz YPMYJPGCMJSPEG-QXAKKESOSA-N 1 2 350.466 2.730 20 30 FFEDLO CSc1nc(C[N@@H+]2CC[C@H]3O[C@H](c4nc(C)no4)CC[C@H]32)ccc1C#N ZINC001141937163 1027186864 /nfs/dbraw/zinc/18/68/64/1027186864.db2.gz PDGTYQVMRRSQQH-OAGGEKHMSA-N 1 2 371.466 2.861 20 30 FFEDLO CSc1nc(C[N@H+]2CC[C@H]3O[C@H](c4nc(C)no4)CC[C@H]32)ccc1C#N ZINC001141937163 1027186875 /nfs/dbraw/zinc/18/68/75/1027186875.db2.gz PDGTYQVMRRSQQH-OAGGEKHMSA-N 1 2 371.466 2.861 20 30 FFEDLO CSc1nc(C[N@@H+]2CCC[C@@H](Oc3nccc(C)n3)C2)ccc1C#N ZINC001141945949 1027200159 /nfs/dbraw/zinc/20/01/59/1027200159.db2.gz SLMUVNQBIOKRRB-MRXNPFEDSA-N 1 2 355.467 2.817 20 30 FFEDLO CSc1nc(C[N@H+]2CCC[C@@H](Oc3nccc(C)n3)C2)ccc1C#N ZINC001141945949 1027200170 /nfs/dbraw/zinc/20/01/70/1027200170.db2.gz SLMUVNQBIOKRRB-MRXNPFEDSA-N 1 2 355.467 2.817 20 30 FFEDLO CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1snc(Cl)c1C#N ZINC001103364965 1027321305 /nfs/dbraw/zinc/32/13/05/1027321305.db2.gz WWNRRQUENVTXCD-IVZWLZJFSA-N 1 2 364.862 2.502 20 30 FFEDLO CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1snc(Cl)c1C#N ZINC001103364965 1027321323 /nfs/dbraw/zinc/32/13/23/1027321323.db2.gz WWNRRQUENVTXCD-IVZWLZJFSA-N 1 2 364.862 2.502 20 30 FFEDLO NC(Cc1cccnc1)=[NH+]OCc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000092914483 1027504138 /nfs/dbraw/zinc/50/41/38/1027504138.db2.gz JAKCVYUUWDHBHK-UHFFFAOYSA-N 1 2 365.412 2.927 20 30 FFEDLO NC(Cc1cccnc1)=[NH+]OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092916655 1027506791 /nfs/dbraw/zinc/50/67/91/1027506791.db2.gz MMLPZZLGQVTHCJ-UHFFFAOYSA-N 1 2 353.338 2.676 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCC1=CC[N@H+](Cc2coc(C)n2)CC1 ZINC001160155938 1027612134 /nfs/dbraw/zinc/61/21/34/1027612134.db2.gz LREDAEGAWGGSNS-MOPGFXCFSA-N 1 2 359.470 2.603 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCC1=CC[N@@H+](Cc2coc(C)n2)CC1 ZINC001160155938 1027612143 /nfs/dbraw/zinc/61/21/43/1027612143.db2.gz LREDAEGAWGGSNS-MOPGFXCFSA-N 1 2 359.470 2.603 20 30 FFEDLO COc1ccc(Cn2c[nH+]cc2CNc2nc(Cl)cnc2C#N)cc1 ZINC001161507440 1028205939 /nfs/dbraw/zinc/20/59/39/1028205939.db2.gz OXCFYYUTEAWWSP-UHFFFAOYSA-N 1 2 354.801 2.867 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2cnc3cccc(Br)c3c2)CC1 ZINC001155074254 1028566122 /nfs/dbraw/zinc/56/61/22/1028566122.db2.gz OLQLSXNDPBPTJO-UHFFFAOYSA-N 1 2 360.255 2.941 20 30 FFEDLO C[N@@H+]1CCO[C@H](CNc2nc3cc(F)c(F)cc3c(Cl)c2C#N)C1 ZINC001155201472 1028622723 /nfs/dbraw/zinc/62/27/23/1028622723.db2.gz FJBNXRDBGKCOEN-SECBINFHSA-N 1 2 352.772 2.781 20 30 FFEDLO C[N@H+]1CCO[C@H](CNc2nc3cc(F)c(F)cc3c(Cl)c2C#N)C1 ZINC001155201472 1028622729 /nfs/dbraw/zinc/62/27/29/1028622729.db2.gz FJBNXRDBGKCOEN-SECBINFHSA-N 1 2 352.772 2.781 20 30 FFEDLO N#CCc1cc[nH+]c(NC[C@H]2OCCc3cn(Cc4ccccn4)nc32)c1 ZINC001155756348 1028891811 /nfs/dbraw/zinc/89/18/11/1028891811.db2.gz PNWNBFGDUGRZDR-GOSISDBHSA-N 1 2 360.421 2.513 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1nccn1C(F)F ZINC001155757495 1028893710 /nfs/dbraw/zinc/89/37/10/1028893710.db2.gz RYZBBMWVHDCPLL-YCPHGPKFSA-N 1 2 370.444 2.586 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccn1C(F)F ZINC001155757495 1028893729 /nfs/dbraw/zinc/89/37/29/1028893729.db2.gz RYZBBMWVHDCPLL-YCPHGPKFSA-N 1 2 370.444 2.586 20 30 FFEDLO C=CCn1ccc2c1nc[nH+]c2Nc1cc(Br)cn(C)c1=O ZINC001163428854 1028924942 /nfs/dbraw/zinc/92/49/42/1028924942.db2.gz NGQNMBWKCYOPGJ-UHFFFAOYSA-N 1 2 360.215 2.822 20 30 FFEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3cncc(C#N)c3)c2C1 ZINC001156114265 1029053394 /nfs/dbraw/zinc/05/33/94/1029053394.db2.gz KBBYILGGWXMOPI-UHFFFAOYSA-N 1 2 371.444 2.809 20 30 FFEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3cncc(C#N)c3)c2C1 ZINC001156114265 1029053412 /nfs/dbraw/zinc/05/34/12/1029053412.db2.gz KBBYILGGWXMOPI-UHFFFAOYSA-N 1 2 371.444 2.809 20 30 FFEDLO C=CCOC(=O)N1CCC2(CN(c3nc(NC4CC4)c(C)c[nH+]3)C2)CC1 ZINC001163862182 1029095040 /nfs/dbraw/zinc/09/50/40/1029095040.db2.gz ZFYTWSRYJMUXDO-UHFFFAOYSA-N 1 2 357.458 2.584 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000781473265 1029233719 /nfs/dbraw/zinc/23/37/19/1029233719.db2.gz MMMPCJWZCVDWNC-MRXNPFEDSA-N 1 2 360.413 2.936 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000781473265 1029233725 /nfs/dbraw/zinc/23/37/25/1029233725.db2.gz MMMPCJWZCVDWNC-MRXNPFEDSA-N 1 2 360.413 2.936 20 30 FFEDLO N#Cc1cccc(-c2cc(C(F)(F)N3CC[NH2+]C[C@H]3C#N)c(Cl)nn2)c1 ZINC001164675952 1029350973 /nfs/dbraw/zinc/35/09/73/1029350973.db2.gz VYNUOLKZVAZODK-CYBMUJFWSA-N 1 2 374.782 2.515 20 30 FFEDLO C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC001111797439 1029476216 /nfs/dbraw/zinc/47/62/16/1029476216.db2.gz FFMBTQGSSMJSTA-KKSFZXQISA-N 1 2 368.481 2.658 20 30 FFEDLO C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC001111797439 1029476220 /nfs/dbraw/zinc/47/62/20/1029476220.db2.gz FFMBTQGSSMJSTA-KKSFZXQISA-N 1 2 368.481 2.658 20 30 FFEDLO C[C@H](C#N)CNC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000781945640 1029487896 /nfs/dbraw/zinc/48/78/96/1029487896.db2.gz WFYLCQAKPSKHRY-CYBMUJFWSA-N 1 2 370.375 2.572 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)s1)C2 ZINC001111830801 1029578579 /nfs/dbraw/zinc/57/85/79/1029578579.db2.gz XCSOCBSLJAUGRS-LPHOPBHVSA-N 1 2 360.527 2.901 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)s1)C2 ZINC001111830801 1029578588 /nfs/dbraw/zinc/57/85/88/1029578588.db2.gz XCSOCBSLJAUGRS-LPHOPBHVSA-N 1 2 360.527 2.901 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1C(C)C)C2 ZINC001111848477 1029612496 /nfs/dbraw/zinc/61/24/96/1029612496.db2.gz IFROXMIPZKRXDU-ZWOKBUDYSA-N 1 2 359.518 2.932 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1C(C)C)C2 ZINC001111848477 1029612501 /nfs/dbraw/zinc/61/25/01/1029612501.db2.gz IFROXMIPZKRXDU-ZWOKBUDYSA-N 1 2 359.518 2.932 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(C3CC3)nn1C)C2 ZINC001111851463 1029617216 /nfs/dbraw/zinc/61/72/16/1029617216.db2.gz BAGPYZSBJABXGS-KUDFPVQQSA-N 1 2 371.529 2.766 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(C3CC3)nn1C)C2 ZINC001111851463 1029617220 /nfs/dbraw/zinc/61/72/20/1029617220.db2.gz BAGPYZSBJABXGS-KUDFPVQQSA-N 1 2 371.529 2.766 20 30 FFEDLO CSc1nc(Cl)c(/C=N/O)c(NCCc2cn3ccccc3[nH+]2)n1 ZINC001158142889 1029743680 /nfs/dbraw/zinc/74/36/80/1029743680.db2.gz WVKIHZXXINJAKE-QGMBQPNBSA-N 1 2 362.846 2.962 20 30 FFEDLO C=C[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncccn1)C2)c1ccccc1 ZINC001112001105 1029850072 /nfs/dbraw/zinc/85/00/72/1029850072.db2.gz HXHNLCUJODPVMR-JQVVWYNYSA-N 1 2 362.477 2.917 20 30 FFEDLO C=C[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncccn1)C2)c1ccccc1 ZINC001112001105 1029850080 /nfs/dbraw/zinc/85/00/80/1029850080.db2.gz HXHNLCUJODPVMR-JQVVWYNYSA-N 1 2 362.477 2.917 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001112017651 1029867546 /nfs/dbraw/zinc/86/75/46/1029867546.db2.gz OAZODCSJJIVQOD-XERREHJYSA-N 1 2 371.456 2.759 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001112017651 1029867552 /nfs/dbraw/zinc/86/75/52/1029867552.db2.gz OAZODCSJJIVQOD-XERREHJYSA-N 1 2 371.456 2.759 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1csc(CC)n1)C2 ZINC001112018889 1029868319 /nfs/dbraw/zinc/86/83/19/1029868319.db2.gz RIEIQWFPICOVHV-VCBZYWHSSA-N 1 2 363.527 2.767 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1csc(CC)n1)C2 ZINC001112018889 1029868327 /nfs/dbraw/zinc/86/83/27/1029868327.db2.gz RIEIQWFPICOVHV-VCBZYWHSSA-N 1 2 363.527 2.767 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nc(C)oc2C)C1 ZINC001112086874 1029974662 /nfs/dbraw/zinc/97/46/62/1029974662.db2.gz YBARZHJVRIYGSI-GDBMZVCRSA-N 1 2 371.403 2.964 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ncc(C)s2)C1 ZINC001112093635 1029988165 /nfs/dbraw/zinc/98/81/65/1029988165.db2.gz GHZRSBOUGJRKMX-CHWSQXEVSA-N 1 2 359.417 2.734 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001112094178 1029989973 /nfs/dbraw/zinc/98/99/73/1029989973.db2.gz XGWVLCTWQJPPBB-IAGOWNOFSA-N 1 2 363.383 2.841 20 30 FFEDLO Cc1ccc(N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)nc1C#N ZINC001165739741 1030103261 /nfs/dbraw/zinc/10/32/61/1030103261.db2.gz HRPBVQIXCICKJE-INIZCTEOSA-N 1 2 360.421 2.569 20 30 FFEDLO N#CCc1cc[nH+]c(N2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)c1 ZINC001165958061 1030185520 /nfs/dbraw/zinc/18/55/20/1030185520.db2.gz JJVVUVMJUMBEGF-UHFFFAOYSA-N 1 2 361.449 2.675 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc2c(c1)OCCCO2 ZINC001142262474 1030233406 /nfs/dbraw/zinc/23/34/06/1030233406.db2.gz DYIQLLFUSUNXOR-SFHVURJKSA-N 1 2 369.465 2.883 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc2c(c1)OCCCO2 ZINC001142262474 1030233415 /nfs/dbraw/zinc/23/34/15/1030233415.db2.gz DYIQLLFUSUNXOR-SFHVURJKSA-N 1 2 369.465 2.883 20 30 FFEDLO C[C@H]1C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC(C)(C)C1 ZINC000784349115 1030582967 /nfs/dbraw/zinc/58/29/67/1030582967.db2.gz NEFVPMXTZIGGBE-HIFRSBDPSA-N 1 2 352.438 2.880 20 30 FFEDLO C[C@H]1C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC(C)(C)C1 ZINC000784349115 1030582980 /nfs/dbraw/zinc/58/29/80/1030582980.db2.gz NEFVPMXTZIGGBE-HIFRSBDPSA-N 1 2 352.438 2.880 20 30 FFEDLO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000784458450 1030629675 /nfs/dbraw/zinc/62/96/75/1030629675.db2.gz FGEVQQYASBZODP-UHFFFAOYSA-N 1 2 359.474 2.573 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ncc(Br)s3)C2)C1=O ZINC001142709182 1030745920 /nfs/dbraw/zinc/74/59/20/1030745920.db2.gz JVZUVZGLCHDTNY-OAHLLOKOSA-N 1 2 370.316 2.906 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+](Cc3ncc(Br)s3)C2)C1=O ZINC001142709182 1030745938 /nfs/dbraw/zinc/74/59/38/1030745938.db2.gz JVZUVZGLCHDTNY-OAHLLOKOSA-N 1 2 370.316 2.906 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(OC)c(OC)c1 ZINC001203837800 1030923431 /nfs/dbraw/zinc/92/34/31/1030923431.db2.gz IBAUOSNGZYAOGY-KRWDZBQOSA-N 1 2 357.454 2.739 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(OC)c(OC)c1 ZINC001203837800 1030923444 /nfs/dbraw/zinc/92/34/44/1030923444.db2.gz IBAUOSNGZYAOGY-KRWDZBQOSA-N 1 2 357.454 2.739 20 30 FFEDLO N#Cc1ccc(C[N@H+]2Cc3nccn3C[C@@H](COCc3ccccn3)C2)cc1 ZINC001203901556 1030969744 /nfs/dbraw/zinc/96/97/44/1030969744.db2.gz QFOJITNUYRMYOR-FQEVSTJZSA-N 1 2 373.460 2.999 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2Cc3nccn3C[C@@H](COCc3ccccn3)C2)cc1 ZINC001203901556 1030969759 /nfs/dbraw/zinc/96/97/59/1030969759.db2.gz QFOJITNUYRMYOR-FQEVSTJZSA-N 1 2 373.460 2.999 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](CO)C2)cc1 ZINC001204297234 1031213691 /nfs/dbraw/zinc/21/36/91/1031213691.db2.gz IWMZOKGMRVUKPT-OAQYLSRUSA-N 1 2 352.478 2.930 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCN(Cc3ccccc3)[C@@H](CO)C2)cc1 ZINC001204297234 1031213704 /nfs/dbraw/zinc/21/37/04/1031213704.db2.gz IWMZOKGMRVUKPT-OAQYLSRUSA-N 1 2 352.478 2.930 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001205144997 1031552383 /nfs/dbraw/zinc/55/23/83/1031552383.db2.gz QMVMJCAFXRYHHI-IAGOWNOFSA-N 1 2 368.880 2.809 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001205144997 1031552388 /nfs/dbraw/zinc/55/23/88/1031552388.db2.gz QMVMJCAFXRYHHI-IAGOWNOFSA-N 1 2 368.880 2.809 20 30 FFEDLO C#CCCCCCC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001205167616 1031569271 /nfs/dbraw/zinc/56/92/71/1031569271.db2.gz PWJIAIQAHXSISY-WOJBJXKFSA-N 1 2 360.473 2.614 20 30 FFEDLO C#CCCCCCC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001205167616 1031569282 /nfs/dbraw/zinc/56/92/82/1031569282.db2.gz PWJIAIQAHXSISY-WOJBJXKFSA-N 1 2 360.473 2.614 20 30 FFEDLO N#CCSc1cccc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)c1 ZINC001150248084 1031689594 /nfs/dbraw/zinc/68/95/94/1031689594.db2.gz YSWXKWNPBGGTHM-UHFFFAOYSA-N 1 2 366.490 2.698 20 30 FFEDLO CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1c1ccccc1F ZINC001205657799 1031911337 /nfs/dbraw/zinc/91/13/37/1031911337.db2.gz KTZBUDSSTNSGSL-OXJNMPFZSA-N 1 2 366.440 2.647 20 30 FFEDLO CC1(CCC(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(C#N)c(F)c4)C[C@@H]32)CC1 ZINC001218899784 1033400912 /nfs/dbraw/zinc/40/09/12/1033400912.db2.gz USWJXHFZKBXSRV-RBUKOAKNSA-N 1 2 371.456 2.689 20 30 FFEDLO CC1(CCC(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@@H]32)CC1 ZINC001218899784 1033400922 /nfs/dbraw/zinc/40/09/22/1033400922.db2.gz USWJXHFZKBXSRV-RBUKOAKNSA-N 1 2 371.456 2.689 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc4n3CCCC4)[C@H]2C1 ZINC001223337949 1033401265 /nfs/dbraw/zinc/40/12/65/1033401265.db2.gz CUVOMDAHTRWAFD-KURKYZTESA-N 1 2 371.529 2.640 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc4n3CCCC4)[C@H]2C1 ZINC001223337949 1033401271 /nfs/dbraw/zinc/40/12/71/1033401271.db2.gz CUVOMDAHTRWAFD-KURKYZTESA-N 1 2 371.529 2.640 20 30 FFEDLO C=CCCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ncc(C)cn4)[C@H]3C2)CC1 ZINC001223451389 1033448517 /nfs/dbraw/zinc/44/85/17/1033448517.db2.gz CURBDEKPSPLARE-MSOLQXFVSA-N 1 2 354.498 2.954 20 30 FFEDLO C=CCCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4ncc(C)cn4)[C@H]3C2)CC1 ZINC001223451389 1033448525 /nfs/dbraw/zinc/44/85/25/1033448525.db2.gz CURBDEKPSPLARE-MSOLQXFVSA-N 1 2 354.498 2.954 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(C(C)C)nn3)[C@H]2C1 ZINC001223586822 1033506804 /nfs/dbraw/zinc/50/68/04/1033506804.db2.gz JEWCTZIPMUHPNV-AEFFLSMTSA-N 1 2 359.518 2.884 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cn(C(C)C)nn3)[C@H]2C1 ZINC001223586822 1033506820 /nfs/dbraw/zinc/50/68/20/1033506820.db2.gz JEWCTZIPMUHPNV-AEFFLSMTSA-N 1 2 359.518 2.884 20 30 FFEDLO C=C(Cl)CN1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001223684248 1033549806 /nfs/dbraw/zinc/54/98/06/1033549806.db2.gz OKOGXULSTWJLIU-SJORKVTESA-N 1 2 350.894 2.647 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2CC(=O)Nc1c(C)cccc1C ZINC001276913470 1033557048 /nfs/dbraw/zinc/55/70/48/1033557048.db2.gz CSNPLPVJXKUHPR-OAQYLSRUSA-N 1 2 355.482 2.885 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC(=O)Nc1c(C)cccc1C ZINC001276913470 1033557056 /nfs/dbraw/zinc/55/70/56/1033557056.db2.gz CSNPLPVJXKUHPR-OAQYLSRUSA-N 1 2 355.482 2.885 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccccc2Br)C[C@@H]1O ZINC001219326192 1033601256 /nfs/dbraw/zinc/60/12/56/1033601256.db2.gz MJVHRQHCEQSLIN-MAZHCROVSA-N 1 2 367.287 2.638 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2Br)C[C@@H]1O ZINC001219326192 1033601261 /nfs/dbraw/zinc/60/12/61/1033601261.db2.gz MJVHRQHCEQSLIN-MAZHCROVSA-N 1 2 367.287 2.638 20 30 FFEDLO CCCC[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220032266 1033949256 /nfs/dbraw/zinc/94/92/56/1033949256.db2.gz MYENINYMCAVBKX-NRSPTQNISA-N 1 2 356.510 2.806 20 30 FFEDLO CCCC[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220032266 1033949265 /nfs/dbraw/zinc/94/92/65/1033949265.db2.gz MYENINYMCAVBKX-NRSPTQNISA-N 1 2 356.510 2.806 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)cc2F)C[C@@H]1O ZINC001220149264 1034005471 /nfs/dbraw/zinc/00/54/71/1034005471.db2.gz FNRPTKNAAAIHDL-KYNGSXCRSA-N 1 2 364.436 2.771 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)cc2F)C[C@@H]1O ZINC001220149264 1034005489 /nfs/dbraw/zinc/00/54/89/1034005489.db2.gz FNRPTKNAAAIHDL-KYNGSXCRSA-N 1 2 364.436 2.771 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(=O)oc3cc(C)c(C)cc23)CC1 ZINC000831695975 1034217203 /nfs/dbraw/zinc/21/72/03/1034217203.db2.gz XNHQSQGORYDTCM-UHFFFAOYSA-N 1 2 354.406 2.689 20 30 FFEDLO Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC#Cc2ccccc2)c1C ZINC001225462139 1034264087 /nfs/dbraw/zinc/26/40/87/1034264087.db2.gz DOKKPYLVZWSRMU-RTBURBONSA-N 1 2 350.466 2.709 20 30 FFEDLO CCCCCC[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001220588755 1034270795 /nfs/dbraw/zinc/27/07/95/1034270795.db2.gz KBLDYHPJBQCADL-QGTPRVQTSA-N 1 2 363.527 2.888 20 30 FFEDLO CCCCCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001220588755 1034270808 /nfs/dbraw/zinc/27/08/08/1034270808.db2.gz KBLDYHPJBQCADL-QGTPRVQTSA-N 1 2 363.527 2.888 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC001535620751 1069859293 /nfs/dbraw/zinc/85/92/93/1069859293.db2.gz UMXZPVXXSREWBA-RTWAWAEBSA-N 1 2 360.461 2.830 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC001535620751 1069859314 /nfs/dbraw/zinc/85/93/14/1069859314.db2.gz UMXZPVXXSREWBA-RTWAWAEBSA-N 1 2 360.461 2.830 20 30 FFEDLO N#Cc1ccc(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)nc1Cl ZINC001277088904 1034476285 /nfs/dbraw/zinc/47/62/85/1034476285.db2.gz GKQLKAGKBGKUSV-UHFFFAOYSA-N 1 2 372.778 2.849 20 30 FFEDLO N#Cc1ccc(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)nc1Cl ZINC001277088904 1034476294 /nfs/dbraw/zinc/47/62/94/1034476294.db2.gz GKQLKAGKBGKUSV-UHFFFAOYSA-N 1 2 372.778 2.849 20 30 FFEDLO CCCCC[C@@H](CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001221035575 1034514374 /nfs/dbraw/zinc/51/43/74/1034514374.db2.gz KKCMBOBLUBCFHZ-OLMNPRSZSA-N 1 2 363.527 2.888 20 30 FFEDLO CCCCC[C@@H](CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001221035575 1034514386 /nfs/dbraw/zinc/51/43/86/1034514386.db2.gz KKCMBOBLUBCFHZ-OLMNPRSZSA-N 1 2 363.527 2.888 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1O)c1ccccc1 ZINC001221042247 1034519283 /nfs/dbraw/zinc/51/92/83/1034519283.db2.gz GNCCJRNTNGJMQN-HBGVWJBISA-N 1 2 368.452 2.847 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1O)c1ccccc1 ZINC001221042247 1034519290 /nfs/dbraw/zinc/51/92/90/1034519290.db2.gz GNCCJRNTNGJMQN-HBGVWJBISA-N 1 2 368.452 2.847 20 30 FFEDLO CCCSCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001221349015 1034686556 /nfs/dbraw/zinc/68/65/56/1034686556.db2.gz WHTFZSCSXGWYPW-SJLPKXTDSA-N 1 2 361.486 2.873 20 30 FFEDLO CCCSCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001221349015 1034686558 /nfs/dbraw/zinc/68/65/58/1034686558.db2.gz WHTFZSCSXGWYPW-SJLPKXTDSA-N 1 2 361.486 2.873 20 30 FFEDLO CCCCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221421654 1034733954 /nfs/dbraw/zinc/73/39/54/1034733954.db2.gz DANHCLFYORIIKM-NSISKUIASA-N 1 2 355.482 2.796 20 30 FFEDLO CCCCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221421654 1034733966 /nfs/dbraw/zinc/73/39/66/1034733966.db2.gz DANHCLFYORIIKM-NSISKUIASA-N 1 2 355.482 2.796 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)ccc3F)C[C@H]21 ZINC001221421749 1034734121 /nfs/dbraw/zinc/73/41/21/1034734121.db2.gz GKWJLCNIVVHICV-SPYBWZPUSA-N 1 2 364.436 2.979 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)ccc3F)C[C@H]21 ZINC001221421749 1034734134 /nfs/dbraw/zinc/73/41/34/1034734134.db2.gz GKWJLCNIVVHICV-SPYBWZPUSA-N 1 2 364.436 2.979 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3nc4ccccc4o3)C[C@H]21 ZINC001221422314 1034737687 /nfs/dbraw/zinc/73/76/87/1034737687.db2.gz XBTFUYPBZIZEEE-JFIYKMOQSA-N 1 2 369.465 2.842 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3nc4ccccc4o3)C[C@H]21 ZINC001221422314 1034737696 /nfs/dbraw/zinc/73/76/96/1034737696.db2.gz XBTFUYPBZIZEEE-JFIYKMOQSA-N 1 2 369.465 2.842 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)c4ccccc4n3)C[C@H]21 ZINC001221429221 1034749182 /nfs/dbraw/zinc/74/91/82/1034749182.db2.gz NBSCKWLLXQCIPT-VQIMIIECSA-N 1 2 350.466 2.937 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)c4ccccc4n3)C[C@H]21 ZINC001221429221 1034749195 /nfs/dbraw/zinc/74/91/95/1034749195.db2.gz NBSCKWLLXQCIPT-VQIMIIECSA-N 1 2 350.466 2.937 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[N@H+](Cc3cccc(F)c3Cl)C[C@H]21 ZINC001221517787 1034836153 /nfs/dbraw/zinc/83/61/53/1034836153.db2.gz JWUJKWOIBWYPPA-NRXGSXMXSA-N 1 2 366.864 2.839 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(F)c3Cl)C[C@H]21 ZINC001221517787 1034836164 /nfs/dbraw/zinc/83/61/64/1034836164.db2.gz JWUJKWOIBWYPPA-NRXGSXMXSA-N 1 2 366.864 2.839 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(F)c3Cl)C[C@H]21 ZINC001221544056 1034863530 /nfs/dbraw/zinc/86/35/30/1034863530.db2.gz LZEWZMRLQJORBL-CKEIUWERSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(F)c3Cl)C[C@H]21 ZINC001221544056 1034863534 /nfs/dbraw/zinc/86/35/34/1034863534.db2.gz LZEWZMRLQJORBL-CKEIUWERSA-N 1 2 364.848 2.550 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3C)C[C@H]21 ZINC001221779727 1035062603 /nfs/dbraw/zinc/06/26/03/1035062603.db2.gz KLXHNIJCUNSNPV-IEBWSBKVSA-N 1 2 355.482 2.823 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccccc3C)C[C@H]21 ZINC001221779727 1035062610 /nfs/dbraw/zinc/06/26/10/1035062610.db2.gz KLXHNIJCUNSNPV-IEBWSBKVSA-N 1 2 355.482 2.823 20 30 FFEDLO CCC[NH+]1CCN(c2ccccc2C=[NH+]Nc2ccc(C(=O)[O-])nc2)CC1 ZINC000835006478 1035486011 /nfs/dbraw/zinc/48/60/11/1035486011.db2.gz FUXRCUYHSSHIOG-UHFFFAOYSA-N 1 2 367.453 2.758 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccncc1C(F)(F)F ZINC001277204464 1035525601 /nfs/dbraw/zinc/52/56/01/1035525601.db2.gz LLDVFCNTMQWXFM-QGZVFWFLSA-N 1 2 351.372 2.691 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccncc1C(F)(F)F ZINC001277204464 1035525608 /nfs/dbraw/zinc/52/56/08/1035525608.db2.gz LLDVFCNTMQWXFM-QGZVFWFLSA-N 1 2 351.372 2.691 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2ccc(C#N)nc2)Cc2nn(CC3CC3)cc21 ZINC001140541499 1035595495 /nfs/dbraw/zinc/59/54/95/1035595495.db2.gz JHHWSEBBJNEGFJ-QGZVFWFLSA-N 1 2 351.454 2.696 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C#N)nc2)Cc2nn(CC3CC3)cc21 ZINC001140541499 1035595506 /nfs/dbraw/zinc/59/55/06/1035595506.db2.gz JHHWSEBBJNEGFJ-QGZVFWFLSA-N 1 2 351.454 2.696 20 30 FFEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(OCC(=O)N2CCCC2)CC1 ZINC001232608756 1035863794 /nfs/dbraw/zinc/86/37/94/1035863794.db2.gz SQWBKOXYULMKGJ-UHFFFAOYSA-N 1 2 361.873 2.815 20 30 FFEDLO N#Cc1ccc(O)c(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001232676428 1035933879 /nfs/dbraw/zinc/93/38/79/1035933879.db2.gz JRHAWUYVDFDBAG-UYAOXDASSA-N 1 2 367.424 2.740 20 30 FFEDLO N#Cc1ccc(O)c(CN2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001232676428 1035933882 /nfs/dbraw/zinc/93/38/82/1035933882.db2.gz JRHAWUYVDFDBAG-UYAOXDASSA-N 1 2 367.424 2.740 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cc(OC)c(Cl)cc2OC)C1=O ZINC001277705637 1035974911 /nfs/dbraw/zinc/97/49/11/1035974911.db2.gz UMFZOBBPFSBJGG-LJQANCHMSA-N 1 2 362.857 2.557 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(OC)c(Cl)cc2OC)C1=O ZINC001277705637 1035974924 /nfs/dbraw/zinc/97/49/24/1035974924.db2.gz UMFZOBBPFSBJGG-LJQANCHMSA-N 1 2 362.857 2.557 20 30 FFEDLO CCOc1cc(C#N)c(Br)cc1O[C@@H](C)C[NH+]1CCOCC1 ZINC001228458469 1036124532 /nfs/dbraw/zinc/12/45/32/1036124532.db2.gz FPJXRTXTPMTLFR-LBPRGKRZSA-N 1 2 369.259 2.819 20 30 FFEDLO N#Cc1ccc(F)cc1C[NH+]1CCC2(C[C@@H](c3ccncc3)C(=O)N2)CC1 ZINC001232891187 1036135182 /nfs/dbraw/zinc/13/51/82/1036135182.db2.gz XEWDTXWREWYPAY-IBGZPJMESA-N 1 2 364.424 2.731 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(C(F)(F)F)o1)C2 ZINC001277731734 1036140973 /nfs/dbraw/zinc/14/09/73/1036140973.db2.gz XSOKLVLOLFMGPE-MRXNPFEDSA-N 1 2 358.360 2.535 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(C(F)(F)F)o1)C2 ZINC001277731734 1036140982 /nfs/dbraw/zinc/14/09/82/1036140982.db2.gz XSOKLVLOLFMGPE-MRXNPFEDSA-N 1 2 358.360 2.535 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCCn2nnc(COCC3CC3)c2C1 ZINC001233079528 1036325204 /nfs/dbraw/zinc/32/52/04/1036325204.db2.gz GQFUYUIPJHVGAC-UHFFFAOYSA-N 1 2 351.454 2.791 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@H+]1CCCn2nnc(COCC3CC3)c2C1 ZINC001233079528 1036325216 /nfs/dbraw/zinc/32/52/16/1036325216.db2.gz GQFUYUIPJHVGAC-UHFFFAOYSA-N 1 2 351.454 2.791 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cccc(OCOC)c1 ZINC001233280744 1036489662 /nfs/dbraw/zinc/48/96/62/1036489662.db2.gz AXYLSLMIKPNIER-IBGZPJMESA-N 1 2 357.454 2.705 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cccc(OCOC)c1 ZINC001233280744 1036489670 /nfs/dbraw/zinc/48/96/70/1036489670.db2.gz AXYLSLMIKPNIER-IBGZPJMESA-N 1 2 357.454 2.705 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001229888786 1036961175 /nfs/dbraw/zinc/96/11/75/1036961175.db2.gz BTYIZBNDVRAYKW-IAGOWNOFSA-N 1 2 364.538 2.868 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cscn2)C[C@H]1C ZINC001206966249 1036992506 /nfs/dbraw/zinc/99/25/06/1036992506.db2.gz GKFDDDLQGNGURG-NVXWUHKLSA-N 1 2 351.516 2.843 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](Cc2cscn2)C[C@H]1C ZINC001206966249 1036992528 /nfs/dbraw/zinc/99/25/28/1036992528.db2.gz GKFDDDLQGNGURG-NVXWUHKLSA-N 1 2 351.516 2.843 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(CC)n2)C[C@H]1C ZINC001206966463 1036994603 /nfs/dbraw/zinc/99/46/03/1036994603.db2.gz MLCRDOMTEJETHS-IEBWSBKVSA-N 1 2 362.518 2.603 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(CC)n2)C[C@H]1C ZINC001206966463 1036994618 /nfs/dbraw/zinc/99/46/18/1036994618.db2.gz MLCRDOMTEJETHS-IEBWSBKVSA-N 1 2 362.518 2.603 20 30 FFEDLO Cn1cc(C[NH+]2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)cc1C#N ZINC001207108853 1037155524 /nfs/dbraw/zinc/15/55/24/1037155524.db2.gz PEPNSTAFWLBSQR-UHFFFAOYSA-N 1 2 357.479 2.680 20 30 FFEDLO COC(=O)c1oc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)cc1C ZINC001207183569 1037229407 /nfs/dbraw/zinc/22/94/07/1037229407.db2.gz BRKDVUJTVBPMSB-UHFFFAOYSA-N 1 2 357.385 2.708 20 30 FFEDLO C=CCN(CC[NH+]1CCN(c2ncccc2F)CC1)C(=O)OC(C)(C)C ZINC001207204429 1037244602 /nfs/dbraw/zinc/24/46/02/1037244602.db2.gz NJIREVJAWKKYOC-UHFFFAOYSA-N 1 2 364.465 2.766 20 30 FFEDLO C=C(Cl)C[N@@H+](CCCNC(=O)[C@@H]1CCO[C@H]1CC)Cc1cccnc1 ZINC001230802488 1037364498 /nfs/dbraw/zinc/36/44/98/1037364498.db2.gz XCNOOMVDOOUFIG-MSOLQXFVSA-N 1 2 365.905 2.958 20 30 FFEDLO C=C(Cl)C[N@H+](CCCNC(=O)[C@@H]1CCO[C@H]1CC)Cc1cccnc1 ZINC001230802488 1037364501 /nfs/dbraw/zinc/36/45/01/1037364501.db2.gz XCNOOMVDOOUFIG-MSOLQXFVSA-N 1 2 365.905 2.958 20 30 FFEDLO C=C(C)CNC(=O)[C@@H]1CC12CCN(c1nc(NC3CC3)c(C)c[nH+]1)CC2 ZINC001277925759 1037379040 /nfs/dbraw/zinc/37/90/40/1037379040.db2.gz MLCAQWOSQVKKFB-INIZCTEOSA-N 1 2 355.486 2.658 20 30 FFEDLO CCOc1nc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)s1 ZINC001231090284 1037464649 /nfs/dbraw/zinc/46/46/49/1037464649.db2.gz CXQIHZLXFIOXMT-HNNXBMFYSA-N 1 2 359.451 2.693 20 30 FFEDLO CCOc1nc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)s1 ZINC001231090284 1037464662 /nfs/dbraw/zinc/46/46/62/1037464662.db2.gz CXQIHZLXFIOXMT-HNNXBMFYSA-N 1 2 359.451 2.693 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001208128860 1038067028 /nfs/dbraw/zinc/06/70/28/1038067028.db2.gz JMQMOHHMVZBEMQ-AKCHCHLHSA-N 1 2 361.486 2.717 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001208128860 1038067050 /nfs/dbraw/zinc/06/70/50/1038067050.db2.gz JMQMOHHMVZBEMQ-AKCHCHLHSA-N 1 2 361.486 2.717 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)CCC3)C[C@H]1C ZINC001208318103 1038211007 /nfs/dbraw/zinc/21/10/07/1038211007.db2.gz JJKMCMVPJGZOGS-DNVCBOLYSA-N 1 2 369.509 2.763 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)CCC3)C[C@H]1C ZINC001208318103 1038211021 /nfs/dbraw/zinc/21/10/21/1038211021.db2.gz JJKMCMVPJGZOGS-DNVCBOLYSA-N 1 2 369.509 2.763 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cc(C)ccc2C)C[C@H]1C ZINC001208376866 1038267522 /nfs/dbraw/zinc/26/75/22/1038267522.db2.gz WWFHEYFHQSROKW-UYAOXDASSA-N 1 2 369.509 2.872 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cc(C)ccc2C)C[C@H]1C ZINC001208376866 1038267532 /nfs/dbraw/zinc/26/75/32/1038267532.db2.gz WWFHEYFHQSROKW-UYAOXDASSA-N 1 2 369.509 2.872 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236818112 1038290162 /nfs/dbraw/zinc/29/01/62/1038290162.db2.gz IWHURQQHPGIJRH-ZDUSSCGKSA-N 1 2 354.834 2.931 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236818112 1038290172 /nfs/dbraw/zinc/29/01/72/1038290172.db2.gz IWHURQQHPGIJRH-ZDUSSCGKSA-N 1 2 354.834 2.931 20 30 FFEDLO CCOC(=O)c1cc(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)[nH]n1 ZINC001237032068 1038411871 /nfs/dbraw/zinc/41/18/71/1038411871.db2.gz JDHANJVNGNUBGD-INIZCTEOSA-N 1 2 354.410 2.501 20 30 FFEDLO CCOC(=O)c1cc(C[N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)[nH]n1 ZINC001237032068 1038411877 /nfs/dbraw/zinc/41/18/77/1038411877.db2.gz JDHANJVNGNUBGD-INIZCTEOSA-N 1 2 354.410 2.501 20 30 FFEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC001257180978 1038737896 /nfs/dbraw/zinc/73/78/96/1038737896.db2.gz SPXNJFKLKUUWID-QLFBSQMISA-N 1 2 374.547 2.862 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C#N)c1F ZINC001279010551 1038774337 /nfs/dbraw/zinc/77/43/37/1038774337.db2.gz RJRKBPYACBDHEL-GASCZTMLSA-N 1 2 370.453 2.951 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C#N)c1F ZINC001279010551 1038774342 /nfs/dbraw/zinc/77/43/42/1038774342.db2.gz RJRKBPYACBDHEL-GASCZTMLSA-N 1 2 370.453 2.951 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(F)ccc(Cl)c1OC ZINC001276640441 1038834181 /nfs/dbraw/zinc/83/41/81/1038834181.db2.gz ZTCYUZHAYDQCEW-HZPDHXFCSA-N 1 2 350.821 2.686 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(F)ccc(Cl)c1OC ZINC001276640441 1038834207 /nfs/dbraw/zinc/83/42/07/1038834207.db2.gz ZTCYUZHAYDQCEW-HZPDHXFCSA-N 1 2 350.821 2.686 20 30 FFEDLO Cc1oc(Nc2ccc(NCC[NH+]3CCN(C)CC3)nc2)c(C#N)c1C ZINC001209814229 1039239251 /nfs/dbraw/zinc/23/92/51/1039239251.db2.gz GEHWBBIYFOBJHK-UHFFFAOYSA-N 1 2 354.458 2.566 20 30 FFEDLO Cc1c(Br)cc(CN2CC[NH2+]C[C@H]2C#N)cc1Br ZINC001210122404 1039393860 /nfs/dbraw/zinc/39/38/60/1039393860.db2.gz QFPMUMXUIZUJAA-LLVKDONJSA-N 1 2 373.092 2.817 20 30 FFEDLO Cc1ccc(S(=O)(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001252232001 1039459954 /nfs/dbraw/zinc/45/99/54/1039459954.db2.gz GORUORQVBZOZHD-UHFFFAOYSA-N 1 2 369.490 2.832 20 30 FFEDLO C=CCC[C@@H](O)C[N@H+]1CCc2c(nnn2CC)[C@H]1COCc1ccccc1 ZINC001252595429 1039606532 /nfs/dbraw/zinc/60/65/32/1039606532.db2.gz HPIZXOHSCJSGBZ-UYAOXDASSA-N 1 2 370.497 2.741 20 30 FFEDLO C=CCC[C@@H](O)C[N@@H+]1CCc2c(nnn2CC)[C@H]1COCc1ccccc1 ZINC001252595429 1039606535 /nfs/dbraw/zinc/60/65/35/1039606535.db2.gz HPIZXOHSCJSGBZ-UYAOXDASSA-N 1 2 370.497 2.741 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C(CC)CC)n2)C[C@H]1C ZINC001211425406 1040182793 /nfs/dbraw/zinc/18/27/93/1040182793.db2.gz MGZANQQKBJGOQI-GPMSIDNRSA-N 1 2 362.518 2.772 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(CC)CC)n2)C[C@H]1C ZINC001211425406 1040182796 /nfs/dbraw/zinc/18/27/96/1040182796.db2.gz MGZANQQKBJGOQI-GPMSIDNRSA-N 1 2 362.518 2.772 20 30 FFEDLO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(I)c2O)C1 ZINC001248494373 1040299765 /nfs/dbraw/zinc/29/97/65/1040299765.db2.gz UAYKKKMBRHROSV-LLVKDONJSA-N 1 2 371.218 2.851 20 30 FFEDLO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(I)c2O)C1 ZINC001248494373 1040299785 /nfs/dbraw/zinc/29/97/85/1040299785.db2.gz UAYKKKMBRHROSV-LLVKDONJSA-N 1 2 371.218 2.851 20 30 FFEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](CO)C1 ZINC001248751375 1040395487 /nfs/dbraw/zinc/39/54/87/1040395487.db2.gz VFMDUTNRBDBTJD-GOSISDBHSA-N 1 2 359.470 2.534 20 30 FFEDLO CCc1cc(C#N)ccc1C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](CO)C1 ZINC001248751375 1040395493 /nfs/dbraw/zinc/39/54/93/1040395493.db2.gz VFMDUTNRBDBTJD-GOSISDBHSA-N 1 2 359.470 2.534 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nsc3ccccc23)C[C@H]1OC ZINC001213271033 1040395596 /nfs/dbraw/zinc/39/55/96/1040395596.db2.gz DWEKFHFZRVMPPA-HZPDHXFCSA-N 1 2 359.495 2.824 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nsc3ccccc23)C[C@H]1OC ZINC001213271033 1040395607 /nfs/dbraw/zinc/39/56/07/1040395607.db2.gz DWEKFHFZRVMPPA-HZPDHXFCSA-N 1 2 359.495 2.824 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2Cl)C[C@H]1OC ZINC001213271227 1040395832 /nfs/dbraw/zinc/39/58/32/1040395832.db2.gz ODOFEVCAHAIDKT-GDBMZVCRSA-N 1 2 366.889 2.876 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2Cl)C[C@H]1OC ZINC001213271227 1040395839 /nfs/dbraw/zinc/39/58/39/1040395839.db2.gz ODOFEVCAHAIDKT-GDBMZVCRSA-N 1 2 366.889 2.876 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2OC)C[C@H]1OC ZINC001213314813 1040439008 /nfs/dbraw/zinc/43/90/08/1040439008.db2.gz MEFYURYVLWNWTR-LSBZLQRGSA-N 1 2 364.461 2.752 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2OC)C[C@H]1OC ZINC001213314813 1040439015 /nfs/dbraw/zinc/43/90/15/1040439015.db2.gz MEFYURYVLWNWTR-LSBZLQRGSA-N 1 2 364.461 2.752 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213317733 1040443472 /nfs/dbraw/zinc/44/34/72/1040443472.db2.gz UFYGUJQLKYVPLI-GDIGMMSISA-N 1 2 359.445 2.615 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213317733 1040443480 /nfs/dbraw/zinc/44/34/80/1040443480.db2.gz UFYGUJQLKYVPLI-GDIGMMSISA-N 1 2 359.445 2.615 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1OC ZINC001213496587 1040610629 /nfs/dbraw/zinc/61/06/29/1040610629.db2.gz SNLKUNBWJCYDLP-IAGOWNOFSA-N 1 2 352.425 2.883 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1OC ZINC001213496587 1040610639 /nfs/dbraw/zinc/61/06/39/1040610639.db2.gz SNLKUNBWJCYDLP-IAGOWNOFSA-N 1 2 352.425 2.883 20 30 FFEDLO CCC[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC)C(C)C ZINC001213509311 1040623414 /nfs/dbraw/zinc/62/34/14/1040623414.db2.gz NMWCJOFPSWIEME-NJDAHSKKSA-N 1 2 356.510 2.926 20 30 FFEDLO CCC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC)C(C)C ZINC001213509311 1040623424 /nfs/dbraw/zinc/62/34/24/1040623424.db2.gz NMWCJOFPSWIEME-NJDAHSKKSA-N 1 2 356.510 2.926 20 30 FFEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213608710 1040715238 /nfs/dbraw/zinc/71/52/38/1040715238.db2.gz FEWBTHVFQQKILM-PWIZWCRZSA-N 1 2 360.473 2.819 20 30 FFEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213608710 1040715250 /nfs/dbraw/zinc/71/52/50/1040715250.db2.gz FEWBTHVFQQKILM-PWIZWCRZSA-N 1 2 360.473 2.819 20 30 FFEDLO CCC[C@H](CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213636606 1040746353 /nfs/dbraw/zinc/74/63/53/1040746353.db2.gz RIZNAWJHJWMUSE-KFKAGJAMSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC[C@H](CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213636606 1040746367 /nfs/dbraw/zinc/74/63/67/1040746367.db2.gz RIZNAWJHJWMUSE-KFKAGJAMSA-N 1 2 361.461 2.839 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2c(C)nnn2-c2ccc(F)cc2)C1 ZINC001249452248 1040776566 /nfs/dbraw/zinc/77/65/66/1040776566.db2.gz WZFGCHGPDMGRSG-MRXNPFEDSA-N 1 2 373.432 2.591 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2c(C)nnn2-c2ccc(F)cc2)C1 ZINC001249452248 1040776570 /nfs/dbraw/zinc/77/65/70/1040776570.db2.gz WZFGCHGPDMGRSG-MRXNPFEDSA-N 1 2 373.432 2.591 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](CN2C(=O)N[C@@](CC)(c3ccc(CC)cc3)C2=O)C1 ZINC001254535614 1040787563 /nfs/dbraw/zinc/78/75/63/1040787563.db2.gz GKWRBLAGTNIAJO-NQIIRXRSSA-N 1 2 371.481 2.641 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](CN2C(=O)N[C@@](CC)(c3ccc(CC)cc3)C2=O)C1 ZINC001254535614 1040787578 /nfs/dbraw/zinc/78/75/78/1040787578.db2.gz GKWRBLAGTNIAJO-NQIIRXRSSA-N 1 2 371.481 2.641 20 30 FFEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cn(C(C)(C)C)nn3)C2)C1 ZINC001249480645 1040798211 /nfs/dbraw/zinc/79/82/11/1040798211.db2.gz CTKUOHXVMNRDNA-LJQANCHMSA-N 1 2 361.490 2.644 20 30 FFEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3cn(C(C)(C)C)nn3)C2)C1 ZINC001249480645 1040798226 /nfs/dbraw/zinc/79/82/26/1040798226.db2.gz CTKUOHXVMNRDNA-LJQANCHMSA-N 1 2 361.490 2.644 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C(C)(C)C(C)(F)F ZINC001213790721 1040912622 /nfs/dbraw/zinc/91/26/22/1040912622.db2.gz RXMBTVHSSTVTAZ-HZPDHXFCSA-N 1 2 365.424 2.555 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C(C)(C)C(C)(F)F ZINC001213790721 1040912643 /nfs/dbraw/zinc/91/26/43/1040912643.db2.gz RXMBTVHSSTVTAZ-HZPDHXFCSA-N 1 2 365.424 2.555 20 30 FFEDLO CCC(C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213885694 1041026493 /nfs/dbraw/zinc/02/64/93/1041026493.db2.gz MAZJCDCOTAPVQR-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC(C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213885694 1041026511 /nfs/dbraw/zinc/02/65/11/1041026511.db2.gz MAZJCDCOTAPVQR-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cc3c(c(OC)c2)OCC=C3)CC1 ZINC001250511157 1041231880 /nfs/dbraw/zinc/23/18/80/1041231880.db2.gz BYOYLBXFQZOBEH-UHFFFAOYSA-N 1 2 356.422 2.770 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2noc(-c3ccc(OC)cc3)n2)C1 ZINC001214305372 1041368406 /nfs/dbraw/zinc/36/84/06/1041368406.db2.gz AGXAXSUIRWANMX-RHSMWYFYSA-N 1 2 370.453 2.648 20 30 FFEDLO C=CCn1c(N2CCC3(C2)CCCCC3)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001262988483 1042012795 /nfs/dbraw/zinc/01/27/95/1042012795.db2.gz UBYBAWPGVXZYHT-LPHOPBHVSA-N 1 2 359.518 2.536 20 30 FFEDLO C=CCn1c(N2CCC3(C2)CCCCC3)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001262988483 1042012804 /nfs/dbraw/zinc/01/28/04/1042012804.db2.gz UBYBAWPGVXZYHT-LPHOPBHVSA-N 1 2 359.518 2.536 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001262990545 1042014921 /nfs/dbraw/zinc/01/49/21/1042014921.db2.gz GQCVHZIAUIOZAM-UHFFFAOYSA-N 1 2 368.407 2.957 20 30 FFEDLO CCCCCCCCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001216526925 1042049416 /nfs/dbraw/zinc/04/94/16/1042049416.db2.gz WSXJUWODMJWZLM-IAGOWNOFSA-N 1 2 364.538 2.677 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001216806716 1042129272 /nfs/dbraw/zinc/12/92/72/1042129272.db2.gz YYKFNKUTXKBJKU-HHXXYDBFSA-N 1 2 370.522 2.910 20 30 FFEDLO N#C[C@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)C1 ZINC001263163144 1042142857 /nfs/dbraw/zinc/14/28/57/1042142857.db2.gz IDXFLFRLRSFQFW-GOSISDBHSA-N 1 2 350.470 2.662 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2CCCOCC)C1 ZINC001263357595 1042260231 /nfs/dbraw/zinc/26/02/31/1042260231.db2.gz KPTUNDMMVFVJBK-GOSISDBHSA-N 1 2 359.518 2.540 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)SC)n2Cc2cccs2)CC1 ZINC001263495251 1042342912 /nfs/dbraw/zinc/34/29/12/1042342912.db2.gz DTIOFIKMXXEBQK-AWEZNQCLSA-N 1 2 361.540 2.567 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2ncccn2)C[C@H]1c1ccccc1 ZINC001263883815 1042506829 /nfs/dbraw/zinc/50/68/29/1042506829.db2.gz WFRADLDZSQTLBK-VQTJNVASSA-N 1 2 362.477 2.754 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1c1ccccc1 ZINC001263883815 1042506832 /nfs/dbraw/zinc/50/68/32/1042506832.db2.gz WFRADLDZSQTLBK-VQTJNVASSA-N 1 2 362.477 2.754 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nnc(C)[nH]2)C[C@H]1c1ccccc1 ZINC001263886111 1042508847 /nfs/dbraw/zinc/50/88/47/1042508847.db2.gz YHRKTFACNOSZSA-FHLIZLRMSA-N 1 2 367.497 2.971 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2nnc(C)[nH]2)C[C@H]1c1ccccc1 ZINC001263886111 1042508849 /nfs/dbraw/zinc/50/88/49/1042508849.db2.gz YHRKTFACNOSZSA-FHLIZLRMSA-N 1 2 367.497 2.971 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c(C)nn(C)c2C)[C@H]1C ZINC001264174037 1042653326 /nfs/dbraw/zinc/65/33/26/1042653326.db2.gz PDPHUFOPBHNJOC-JGFGOQIWSA-N 1 2 352.910 2.547 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c(C)nn(C)c2C)[C@H]1C ZINC001264174037 1042653327 /nfs/dbraw/zinc/65/33/27/1042653327.db2.gz PDPHUFOPBHNJOC-JGFGOQIWSA-N 1 2 352.910 2.547 20 30 FFEDLO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001265406750 1042858523 /nfs/dbraw/zinc/85/85/23/1042858523.db2.gz FPRPQZZNGTYNLG-MHTWAQMVSA-N 1 2 366.505 2.751 20 30 FFEDLO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001265406750 1042858529 /nfs/dbraw/zinc/85/85/29/1042858529.db2.gz FPRPQZZNGTYNLG-MHTWAQMVSA-N 1 2 366.505 2.751 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@@H](C1)O2 ZINC001279372938 1043034307 /nfs/dbraw/zinc/03/43/07/1043034307.db2.gz NDRHEOWYZNZTLZ-CALCHBBNSA-N 1 2 372.469 2.548 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@@H](C1)O2 ZINC001279372938 1043034311 /nfs/dbraw/zinc/03/43/11/1043034311.db2.gz NDRHEOWYZNZTLZ-CALCHBBNSA-N 1 2 372.469 2.548 20 30 FFEDLO CCCc1noc(C2CC[NH+](Cc3cn4cc(C#N)ccc4n3)CC2)n1 ZINC001237605826 1043266148 /nfs/dbraw/zinc/26/61/48/1043266148.db2.gz DNCXEEYABWYBDC-UHFFFAOYSA-N 1 2 350.426 2.921 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccccc2Oc2cnccn2)CC1 ZINC001238025149 1043492527 /nfs/dbraw/zinc/49/25/27/1043492527.db2.gz QSBRHYPCFAVBQU-UHFFFAOYSA-N 1 2 352.394 2.548 20 30 FFEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2c(N)ccnc2F)CC1 ZINC001238161436 1043577735 /nfs/dbraw/zinc/57/77/35/1043577735.db2.gz HAULKTDLTBZPMT-UHFFFAOYSA-N 1 2 356.401 2.727 20 30 FFEDLO COc1ccc(Cl)c(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CC(CC#N)C2)c1 ZINC001279871466 1043812555 /nfs/dbraw/zinc/81/25/55/1043812555.db2.gz WAABHDOGCMMVQS-HNAYVOBHSA-N 1 2 359.857 2.685 20 30 FFEDLO COc1ccc(Cl)c(C[N@H+]2CC[C@H]3C[C@]32C(=O)N2CC(CC#N)C2)c1 ZINC001279871466 1043812578 /nfs/dbraw/zinc/81/25/78/1043812578.db2.gz WAABHDOGCMMVQS-HNAYVOBHSA-N 1 2 359.857 2.685 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1Cc1c[nH+]ccc1OC ZINC001538985723 1070530736 /nfs/dbraw/zinc/53/07/36/1070530736.db2.gz CHDJVFHPPWZQCG-ZDUSSCGKSA-N 1 2 351.410 2.756 20 30 FFEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC001311341290 1043897019 /nfs/dbraw/zinc/89/70/19/1043897019.db2.gz OORGSAVBVVUJQG-OAHLLOKOSA-N 1 2 354.376 2.726 20 30 FFEDLO C=CCCCNC(=S)N1CCC[C@@]2(C1)C[N@H+](Cc1ccc[nH]1)CCO2 ZINC001279936420 1043948313 /nfs/dbraw/zinc/94/83/13/1043948313.db2.gz NTWLYKHOPUPHSR-IBGZPJMESA-N 1 2 362.543 2.522 20 30 FFEDLO C=CCCCNC(=S)N1CCC[C@@]2(C1)C[N@@H+](Cc1ccc[nH]1)CCO2 ZINC001279936420 1043948316 /nfs/dbraw/zinc/94/83/16/1043948316.db2.gz NTWLYKHOPUPHSR-IBGZPJMESA-N 1 2 362.543 2.522 20 30 FFEDLO C=CCCNC(=S)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1nc2ccccc2[nH]1 ZINC001279937149 1043951490 /nfs/dbraw/zinc/95/14/90/1043951490.db2.gz YCZNTWNMRNYVDU-IRXDYDNUSA-N 1 2 355.511 2.662 20 30 FFEDLO C=CCCNC(=S)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1nc2ccccc2[nH]1 ZINC001279937149 1043951498 /nfs/dbraw/zinc/95/14/98/1043951498.db2.gz YCZNTWNMRNYVDU-IRXDYDNUSA-N 1 2 355.511 2.662 20 30 FFEDLO CN(C)/C=[NH+]/c1ccc(-c2cccc(C(=O)N3CCOCC3)c2)cc1C#N ZINC001240071290 1044210775 /nfs/dbraw/zinc/21/07/75/1044210775.db2.gz JRVPSEKDUIVRPP-HZHRSRAPSA-N 1 2 362.433 2.919 20 30 FFEDLO N#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC001280181205 1044363208 /nfs/dbraw/zinc/36/32/08/1044363208.db2.gz HTORMAHGUINUQY-QKNQBKEWSA-N 1 2 352.482 2.954 20 30 FFEDLO N#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC001280181205 1044363221 /nfs/dbraw/zinc/36/32/21/1044363221.db2.gz HTORMAHGUINUQY-QKNQBKEWSA-N 1 2 352.482 2.954 20 30 FFEDLO CCOc1ccc(Cl)cc1C[NH+]1CC2(C[C@@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001280262427 1044494979 /nfs/dbraw/zinc/49/49/79/1044494979.db2.gz UTRUINNDSUIRBX-QGZVFWFLSA-N 1 2 373.884 2.933 20 30 FFEDLO Cc1cc(N(C)C)[nH+]cc1-c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C ZINC001241239738 1044495620 /nfs/dbraw/zinc/49/56/20/1044495620.db2.gz BNFWFJKHNWRBHK-CYBMUJFWSA-N 1 2 353.426 2.862 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C(C)(C)C)CC[C@@H]2C1 ZINC001316750921 1044899138 /nfs/dbraw/zinc/89/91/38/1044899138.db2.gz GRSMBMLMQSJHAO-MSOLQXFVSA-N 1 2 371.529 2.507 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C(C)(C)C)CC[C@@H]2C1 ZINC001316750921 1044899156 /nfs/dbraw/zinc/89/91/56/1044899156.db2.gz GRSMBMLMQSJHAO-MSOLQXFVSA-N 1 2 371.529 2.507 20 30 FFEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001281504239 1044911700 /nfs/dbraw/zinc/91/17/00/1044911700.db2.gz BGJUUBAORUMGDL-BRWVUGGUSA-N 1 2 358.486 2.709 20 30 FFEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001281504239 1044911704 /nfs/dbraw/zinc/91/17/04/1044911704.db2.gz BGJUUBAORUMGDL-BRWVUGGUSA-N 1 2 358.486 2.709 20 30 FFEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@@H]2C[C@H]2c2ccccc2CC)CC1 ZINC001317819856 1045146942 /nfs/dbraw/zinc/14/69/42/1045146942.db2.gz ILXHTBYTMHUNNH-LEWJYISDSA-N 1 2 355.526 2.615 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(C(C)C)CC2)CC1 ZINC001539446333 1070639424 /nfs/dbraw/zinc/63/94/24/1070639424.db2.gz BQWVSWRBAJOPET-SFHVURJKSA-N 1 2 371.529 2.711 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CC=CCC2)CC1 ZINC001539451975 1070640873 /nfs/dbraw/zinc/64/08/73/1070640873.db2.gz HKZNWMNQDMYYCF-SFHVURJKSA-N 1 2 355.530 2.978 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C2CC2)CC1 ZINC001539462433 1070643299 /nfs/dbraw/zinc/64/32/99/1070643299.db2.gz HIVGSGGZSNALGC-UHFFFAOYSA-N 1 2 367.522 2.969 20 30 FFEDLO C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1Cc1c[nH+]ccc1OC ZINC001539552290 1070657249 /nfs/dbraw/zinc/65/72/49/1070657249.db2.gz NPRHSXPKPSTSJL-HXUWFJFHSA-N 1 2 362.437 2.717 20 30 FFEDLO C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001539669444 1070678717 /nfs/dbraw/zinc/67/87/17/1070678717.db2.gz QUFRLJPADOZDER-KRWDZBQOSA-N 1 2 363.550 2.990 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CC=CCC2)CC1 ZINC001286475296 1047120917 /nfs/dbraw/zinc/12/09/17/1047120917.db2.gz WCLRMLSNMADMAU-SFHVURJKSA-N 1 2 365.481 2.958 20 30 FFEDLO C=CCCCn1c(CC2CC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001286702681 1047156025 /nfs/dbraw/zinc/15/60/25/1047156025.db2.gz VFVQHAPQKKOOGU-UHFFFAOYSA-N 1 2 367.501 2.622 20 30 FFEDLO C=CCN(C)c1nnc(Cc2ccccc2C)n1CC[N@H+]1CCOC[C@H]1C ZINC001286724382 1047162377 /nfs/dbraw/zinc/16/23/77/1047162377.db2.gz MHVPUESVOZALLI-GOSISDBHSA-N 1 2 369.513 2.520 20 30 FFEDLO C=CCN(C)c1nnc(Cc2ccccc2C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001286724382 1047162381 /nfs/dbraw/zinc/16/23/81/1047162381.db2.gz MHVPUESVOZALLI-GOSISDBHSA-N 1 2 369.513 2.520 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)COCC(F)F)C1 ZINC001316643222 1047179851 /nfs/dbraw/zinc/17/98/51/1047179851.db2.gz CNWRHJDHBQJGLN-LSDHHAIUSA-N 1 2 358.816 2.605 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)COCC(F)F)C1 ZINC001316643222 1047179855 /nfs/dbraw/zinc/17/98/55/1047179855.db2.gz CNWRHJDHBQJGLN-LSDHHAIUSA-N 1 2 358.816 2.605 20 30 FFEDLO C=C(C)CCC(=O)N[C@@]12CCC[C@H]1N(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC2 ZINC001287973861 1047382955 /nfs/dbraw/zinc/38/29/55/1047382955.db2.gz KOSYKXCBFIJYRM-BZSOYRFXSA-N 1 2 370.497 2.520 20 30 FFEDLO C(=NOCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(OCc2ccncc2)c1 ZINC001327504121 1047927050 /nfs/dbraw/zinc/92/70/50/1047927050.db2.gz MWRFFHJLIMISNI-OYRHEFFESA-N 1 2 367.449 2.874 20 30 FFEDLO C(=NOCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(OCc2ccncc2)c1 ZINC001327504121 1047927054 /nfs/dbraw/zinc/92/70/54/1047927054.db2.gz MWRFFHJLIMISNI-OYRHEFFESA-N 1 2 367.449 2.874 20 30 FFEDLO N#Cc1ccc(OC2C[NH+](Cc3ccc(O[C@@H]4CCOC4)cc3)C2)cc1 ZINC001328201454 1048220876 /nfs/dbraw/zinc/22/08/76/1048220876.db2.gz VHMORPBSQVGREW-HXUWFJFHSA-N 1 2 350.418 2.989 20 30 FFEDLO Cc1ccc(C(=O)/C=C\C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001295445584 1049928926 /nfs/dbraw/zinc/92/89/26/1049928926.db2.gz CYGYZKYVHICQDG-KTKRTIGZSA-N 1 2 358.482 2.551 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001297568145 1050224496 /nfs/dbraw/zinc/22/44/96/1050224496.db2.gz KDBQHGHOODIZSE-SXGZJXTBSA-N 1 2 358.486 2.517 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001297568145 1050224513 /nfs/dbraw/zinc/22/45/13/1050224513.db2.gz KDBQHGHOODIZSE-SXGZJXTBSA-N 1 2 358.486 2.517 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001339934160 1050349835 /nfs/dbraw/zinc/34/98/35/1050349835.db2.gz VQSNSUHLQKDWLU-OAHLLOKOSA-N 1 2 352.475 2.827 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001339934160 1050349846 /nfs/dbraw/zinc/34/98/46/1050349846.db2.gz VQSNSUHLQKDWLU-OAHLLOKOSA-N 1 2 352.475 2.827 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC(c2ccn(C)n2)CC1 ZINC001341906609 1050504992 /nfs/dbraw/zinc/50/49/92/1050504992.db2.gz DBGYTVBUKHNDLV-SFHVURJKSA-N 1 2 369.517 2.738 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC(c2ccn(C)n2)CC1 ZINC001341906609 1050505003 /nfs/dbraw/zinc/50/50/03/1050505003.db2.gz DBGYTVBUKHNDLV-SFHVURJKSA-N 1 2 369.517 2.738 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@@H](C)CCSC ZINC001342018118 1050615228 /nfs/dbraw/zinc/61/52/28/1050615228.db2.gz ALJJZDLVDKFTNN-HOTGVXAUSA-N 1 2 367.563 2.824 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@@H](C)CCSC ZINC001342018118 1050615235 /nfs/dbraw/zinc/61/52/35/1050615235.db2.gz ALJJZDLVDKFTNN-HOTGVXAUSA-N 1 2 367.563 2.824 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001342234113 1050824479 /nfs/dbraw/zinc/82/44/79/1050824479.db2.gz RHVIFHLVVUPCHH-MSOLQXFVSA-N 1 2 359.518 2.703 20 30 FFEDLO CC[C@@]1(C)CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CCOC)C1 ZINC001342339425 1050933753 /nfs/dbraw/zinc/93/37/53/1050933753.db2.gz BENSZRLBQRASGA-FQEVSTJZSA-N 1 2 374.533 2.644 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 ZINC001340593920 1050979626 /nfs/dbraw/zinc/97/96/26/1050979626.db2.gz MSGIQEGQYVWBOD-UHFFFAOYSA-N 1 2 373.464 2.829 20 30 FFEDLO CCc1ccc(C#CC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1 ZINC001301801312 1050987602 /nfs/dbraw/zinc/98/76/02/1050987602.db2.gz SNXXCSYBBCBJKJ-UHFFFAOYSA-N 1 2 365.502 2.865 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 ZINC001340733197 1051091595 /nfs/dbraw/zinc/09/15/95/1051091595.db2.gz OCPWJWTVAZNSJS-JKSUJKDBSA-N 1 2 370.501 2.572 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCO[C@H](CC(F)(F)F)C1 ZINC001343299169 1052144643 /nfs/dbraw/zinc/14/46/43/1052144643.db2.gz OYQDVZNMFXXXKC-CQSZACIVSA-N 1 2 373.423 2.608 20 30 FFEDLO C[C@H](CC(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1)n1cccc1 ZINC001344936653 1052145388 /nfs/dbraw/zinc/14/53/88/1052145388.db2.gz MFQIQXYJBYIOEX-QGZVFWFLSA-N 1 2 372.490 2.928 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC2(C[C@H]1C)CCOCC2 ZINC001343417363 1052217463 /nfs/dbraw/zinc/21/74/63/1052217463.db2.gz SWRZZLKBTXGPJQ-QGZVFWFLSA-N 1 2 359.518 2.845 20 30 FFEDLO C=C(C)Cn1c(-c2ccco2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001343476382 1052255186 /nfs/dbraw/zinc/25/51/86/1052255186.db2.gz CMTORTZKJIDBCL-UHFFFAOYSA-N 1 2 368.441 2.733 20 30 FFEDLO N#CCC[NH+]1CCC(c2nnc(N3CCCCC3)n2C[C@H]2CCCO2)CC1 ZINC001345320340 1052383853 /nfs/dbraw/zinc/38/38/53/1052383853.db2.gz CTLLZVZAJUDLMG-GOSISDBHSA-N 1 2 372.517 2.540 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](CC#N)C1 ZINC001343861295 1052457115 /nfs/dbraw/zinc/45/71/15/1052457115.db2.gz FNYIYTANJBGHPA-ROUUACIJSA-N 1 2 374.533 2.992 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](CC#N)C1 ZINC001343861295 1052457119 /nfs/dbraw/zinc/45/71/19/1052457119.db2.gz FNYIYTANJBGHPA-ROUUACIJSA-N 1 2 374.533 2.992 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(Br)nc3)C2)nc1 ZINC001308791610 1052499801 /nfs/dbraw/zinc/49/98/01/1052499801.db2.gz DTBNPLUSRNYHRV-AWEZNQCLSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(Br)nc3)C2)nc1 ZINC001308791610 1052499805 /nfs/dbraw/zinc/49/98/05/1052499805.db2.gz DTBNPLUSRNYHRV-AWEZNQCLSA-N 1 2 359.227 2.764 20 30 FFEDLO C=C(C)C[C@H]([NH2+]CCC1(NC(=O)OC(C)(C)C)CCOCC1)C(=O)OC ZINC001308902049 1052516345 /nfs/dbraw/zinc/51/63/45/1052516345.db2.gz NZMGNWCQBBWCQP-HNNXBMFYSA-N 1 2 370.490 2.548 20 30 FFEDLO Cc1cccc(C#N)c1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001309317135 1052597934 /nfs/dbraw/zinc/59/79/34/1052597934.db2.gz QVSXSSPXZJSJJL-ZWKOTPCHSA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1cccc(C#N)c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001309317135 1052597939 /nfs/dbraw/zinc/59/79/39/1052597939.db2.gz QVSXSSPXZJSJJL-ZWKOTPCHSA-N 1 2 373.453 2.730 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](C)CC(C)(C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001345961747 1052686041 /nfs/dbraw/zinc/68/60/41/1052686041.db2.gz LEUFWAKJQHUXEL-QINHECLXSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](C)CC(C)(C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001345961747 1052686043 /nfs/dbraw/zinc/68/60/43/1052686043.db2.gz LEUFWAKJQHUXEL-QINHECLXSA-N 1 2 361.534 2.638 20 30 FFEDLO N#CC1CCN(c2nnc(C[NH+]3CCCCC3)n2C[C@@H]2CCCCO2)CC1 ZINC001345973418 1052691041 /nfs/dbraw/zinc/69/10/41/1052691041.db2.gz QEONQMCADHBFFM-SFHVURJKSA-N 1 2 372.517 2.573 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC001345984413 1052695322 /nfs/dbraw/zinc/69/53/22/1052695322.db2.gz XBFKKRDLTCRVMB-KBXCAEBGSA-N 1 2 369.460 2.699 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC001345984416 1052695444 /nfs/dbraw/zinc/69/54/44/1052695444.db2.gz XBFKKRDLTCRVMB-RDTXWAMCSA-N 1 2 369.460 2.699 20 30 FFEDLO N#CCC[NH+]1CCC(c2nnc(N3CCC[C@@H](CF)C3)n2CC2CC2)CC1 ZINC001346247895 1052803457 /nfs/dbraw/zinc/80/34/57/1052803457.db2.gz RCGHMUPJYJXGDH-KRWDZBQOSA-N 1 2 374.508 2.967 20 30 FFEDLO CC(C)CN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@@H]1CCCO1 ZINC001344597166 1052853099 /nfs/dbraw/zinc/85/30/99/1052853099.db2.gz SVHDIXQCIIFJGI-SFHVURJKSA-N 1 2 374.533 2.642 20 30 FFEDLO C=C1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)CC1 ZINC001346601449 1053145741 /nfs/dbraw/zinc/14/57/41/1053145741.db2.gz FMJQELFTUVDDGU-UHFFFAOYSA-N 1 2 354.502 2.938 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CC2CC1(C)C2 ZINC001346647361 1053183021 /nfs/dbraw/zinc/18/30/21/1053183021.db2.gz RSFYPPNSGXWJSC-ZEVUXNIQSA-N 1 2 357.502 2.769 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CC2CC1(C)C2 ZINC001346647361 1053183025 /nfs/dbraw/zinc/18/30/25/1053183025.db2.gz RSFYPPNSGXWJSC-ZEVUXNIQSA-N 1 2 357.502 2.769 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)CCCSC ZINC001346657789 1053192522 /nfs/dbraw/zinc/19/25/22/1053192522.db2.gz PLQKYHASPACKFH-MRXNPFEDSA-N 1 2 367.563 2.825 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)CCCSC ZINC001346657789 1053192528 /nfs/dbraw/zinc/19/25/28/1053192528.db2.gz PLQKYHASPACKFH-MRXNPFEDSA-N 1 2 367.563 2.825 20 30 FFEDLO Cc1cc(C(=O)OCC#Cc2csc(C[NH+]3CCOCC3)c2)cc(C)n1 ZINC001346720825 1053255845 /nfs/dbraw/zinc/25/58/45/1053255845.db2.gz ZQLPMCIENJTIFH-UHFFFAOYSA-N 1 2 370.474 2.801 20 30 FFEDLO Cc1cc(C(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)nn1-c1cccc(C#N)c1 ZINC001347490223 1054038270 /nfs/dbraw/zinc/03/82/70/1054038270.db2.gz BSIANBCACNBETP-UHFFFAOYSA-N 1 2 374.448 2.870 20 30 FFEDLO N#Cc1cc(C[N@@H+](CCO)Cc2cnn(Cc3ccccc3)c2)cs1 ZINC001336686318 1054138269 /nfs/dbraw/zinc/13/82/69/1054138269.db2.gz OEBZHTIRXUHIQC-UHFFFAOYSA-N 1 2 352.463 2.859 20 30 FFEDLO N#Cc1cc(C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)cs1 ZINC001336686318 1054138274 /nfs/dbraw/zinc/13/82/74/1054138274.db2.gz OEBZHTIRXUHIQC-UHFFFAOYSA-N 1 2 352.463 2.859 20 30 FFEDLO N#Cc1cccc2[nH]cc(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)c21 ZINC001348453078 1054706026 /nfs/dbraw/zinc/70/60/26/1054706026.db2.gz RFDRKVPHCAXNTA-GOSISDBHSA-N 1 2 374.444 2.670 20 30 FFEDLO N#Cc1cccc2[nH]cc(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)c21 ZINC001348453078 1054706040 /nfs/dbraw/zinc/70/60/40/1054706040.db2.gz RFDRKVPHCAXNTA-GOSISDBHSA-N 1 2 374.444 2.670 20 30 FFEDLO C=CC1CCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2C[C@H]2CCOC2)CC1 ZINC001349024635 1055056436 /nfs/dbraw/zinc/05/64/36/1055056436.db2.gz VXNPIXDXQHVSMD-MSOLQXFVSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CC1CCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2C[C@H]2CCOC2)CC1 ZINC001349024635 1055056450 /nfs/dbraw/zinc/05/64/50/1055056450.db2.gz VXNPIXDXQHVSMD-MSOLQXFVSA-N 1 2 359.518 2.874 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2nc(Br)ccc2C#N)CC1 ZINC001337864373 1055069070 /nfs/dbraw/zinc/06/90/70/1055069070.db2.gz ASNSPJHQLUQCTH-ZDUSSCGKSA-N 1 2 372.270 2.994 20 30 FFEDLO C#CC1CCN(c2nnc(Cc3[nH+]ccn3Cc3ccccc3)n2CC)CC1 ZINC001352355037 1055391967 /nfs/dbraw/zinc/39/19/67/1055391967.db2.gz GANLTXINHRSWSR-UHFFFAOYSA-N 1 2 374.492 2.983 20 30 FFEDLO CC(Cl)(Cl)C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001350312671 1055718477 /nfs/dbraw/zinc/71/84/77/1055718477.db2.gz VYGJLVJBMOIEEE-UHFFFAOYSA-N 1 2 362.278 2.669 20 30 FFEDLO CCCSCC(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001350312185 1055718689 /nfs/dbraw/zinc/71/86/89/1055718689.db2.gz SBJURBQXBTYEGJ-UHFFFAOYSA-N 1 2 353.509 2.618 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC(F)(F)CC[C@@H]1C ZINC001338692500 1055736980 /nfs/dbraw/zinc/73/69/80/1055736980.db2.gz BUJDSIHSTUAOAG-GJZGRUSLSA-N 1 2 369.460 2.870 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC(F)(F)CC[C@@H]1C ZINC001338692500 1055736988 /nfs/dbraw/zinc/73/69/88/1055736988.db2.gz BUJDSIHSTUAOAG-GJZGRUSLSA-N 1 2 369.460 2.870 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCc2cc(C)c(C)cc21 ZINC001338894969 1055911785 /nfs/dbraw/zinc/91/17/85/1055911785.db2.gz MFGUMHMOAZFQTH-AEFFLSMTSA-N 1 2 353.470 2.513 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCc2cc(C)c(C)cc21 ZINC001338894969 1055911795 /nfs/dbraw/zinc/91/17/95/1055911795.db2.gz MFGUMHMOAZFQTH-AEFFLSMTSA-N 1 2 353.470 2.513 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCc2cc(C)c(C)cc21 ZINC001338894984 1055912220 /nfs/dbraw/zinc/91/22/20/1055912220.db2.gz MFGUMHMOAZFQTH-SJLPKXTDSA-N 1 2 353.470 2.513 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCc2cc(C)c(C)cc21 ZINC001338894984 1055912230 /nfs/dbraw/zinc/91/22/30/1055912230.db2.gz MFGUMHMOAZFQTH-SJLPKXTDSA-N 1 2 353.470 2.513 20 30 FFEDLO CC(C)Cn1c([C@H]2C[C@H]2C#N)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001357947634 1056076447 /nfs/dbraw/zinc/07/64/47/1056076447.db2.gz UVUZDRABUKJZHI-HOTGVXAUSA-N 1 2 365.485 2.585 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000623986516 1056601526 /nfs/dbraw/zinc/60/15/26/1056601526.db2.gz YOMGJQYEZFSKAM-RDJZCZTQSA-N 1 2 361.490 2.601 20 30 FFEDLO C=CCN(CC=C)c1nnc(CC2CCCC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001359273783 1056973884 /nfs/dbraw/zinc/97/38/84/1056973884.db2.gz NXFCZAHFPIRQDG-SFHVURJKSA-N 1 2 373.545 2.910 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001518016838 1058237621 /nfs/dbraw/zinc/23/76/21/1058237621.db2.gz DOXOSCSKPUMCED-MRXNPFEDSA-N 1 2 365.495 2.536 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCCO1 ZINC001518116572 1058272429 /nfs/dbraw/zinc/27/24/29/1058272429.db2.gz JOWJDAIHWRFYFO-QKLQHJQFSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCCO1 ZINC001518116572 1058272437 /nfs/dbraw/zinc/27/24/37/1058272437.db2.gz JOWJDAIHWRFYFO-QKLQHJQFSA-N 1 2 372.517 2.744 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3C[N@H+](C(C)C)CCO3)n2CC2CC2)C1 ZINC001518223351 1058307857 /nfs/dbraw/zinc/30/78/57/1058307857.db2.gz RCVSGCPWDNBLDN-IEBWSBKVSA-N 1 2 371.529 2.710 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3C[N@@H+](C(C)C)CCO3)n2CC2CC2)C1 ZINC001518223351 1058307870 /nfs/dbraw/zinc/30/78/70/1058307870.db2.gz RCVSGCPWDNBLDN-IEBWSBKVSA-N 1 2 371.529 2.710 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cccc4[nH+]ccn43)C2)CCC1 ZINC001513248775 1058314710 /nfs/dbraw/zinc/31/47/10/1058314710.db2.gz BHUGPFZKEDBPFU-HZPDHXFCSA-N 1 2 366.465 2.657 20 30 FFEDLO CC[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001545402768 1071778545 /nfs/dbraw/zinc/77/85/45/1071778545.db2.gz FBYPUCMZTBVPAW-DLBZAZTESA-N 1 2 374.533 2.642 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1C1CCC1)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001500051452 1058432474 /nfs/dbraw/zinc/43/24/74/1058432474.db2.gz FUZVWJJICWUZCV-RBUKOAKNSA-N 1 2 355.482 2.845 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001353987630 1058469162 /nfs/dbraw/zinc/46/91/62/1058469162.db2.gz OZGKYMMZYLTAHL-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001353987630 1058469171 /nfs/dbraw/zinc/46/91/71/1058469171.db2.gz OZGKYMMZYLTAHL-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001500615086 1058530743 /nfs/dbraw/zinc/53/07/43/1058530743.db2.gz BRLLJPBTBSYISV-BRWVUGGUSA-N 1 2 358.486 2.757 20 30 FFEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001500615086 1058530761 /nfs/dbraw/zinc/53/07/61/1058530761.db2.gz BRLLJPBTBSYISV-BRWVUGGUSA-N 1 2 358.486 2.757 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CCCc2nccs2)CC1 ZINC001300683336 1059318732 /nfs/dbraw/zinc/31/87/32/1059318732.db2.gz NFHXFURNSYAADQ-MRXNPFEDSA-N 1 2 372.542 2.636 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccnc3)n2CC2(C(C)C)CC2)CC1 ZINC001300696336 1059382740 /nfs/dbraw/zinc/38/27/40/1059382740.db2.gz YLGOQBSORQZAOG-UHFFFAOYSA-N 1 2 364.497 2.532 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CC(C)(C)c2cccs2)CC1 ZINC001300697663 1059387887 /nfs/dbraw/zinc/38/78/87/1059387887.db2.gz GMUVENLLINZGMJ-UHFFFAOYSA-N 1 2 369.538 2.950 20 30 FFEDLO Cn1c[nH+]cc1C1CCN(C(=O)Nc2ccc(F)cc2OCC#N)CC1 ZINC001520237430 1059522624 /nfs/dbraw/zinc/52/26/24/1059522624.db2.gz PSEVMNLTAZREPB-UHFFFAOYSA-N 1 2 357.389 2.873 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@H](CC#N)C1 ZINC001520243532 1059529035 /nfs/dbraw/zinc/52/90/35/1059529035.db2.gz AWNZGDSFVBEPJL-KURKYZTESA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@H](CC#N)C1 ZINC001520243532 1059529053 /nfs/dbraw/zinc/52/90/53/1059529053.db2.gz AWNZGDSFVBEPJL-KURKYZTESA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)CCC(F)(F)F ZINC001520252403 1059537148 /nfs/dbraw/zinc/53/71/48/1059537148.db2.gz MKHZREXJMNHDNH-ZDUSSCGKSA-N 1 2 361.412 2.634 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)CCC(F)(F)F ZINC001520252403 1059537170 /nfs/dbraw/zinc/53/71/70/1059537170.db2.gz MKHZREXJMNHDNH-ZDUSSCGKSA-N 1 2 361.412 2.634 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)[C@H]1CCCSC1 ZINC001520425252 1059675574 /nfs/dbraw/zinc/67/55/74/1059675574.db2.gz MKQAURPUBGMYCZ-INIZCTEOSA-N 1 2 365.520 2.618 20 30 FFEDLO C#C[C@]1(C)CCCN1c1nnc(C(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001507761993 1059708670 /nfs/dbraw/zinc/70/86/70/1059708670.db2.gz QRSVEAMPZVBOQG-HXUWFJFHSA-N 1 2 352.486 2.903 20 30 FFEDLO C[C@@H](C(=O)[C@H](C#N)c1nccn1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001515838427 1059830514 /nfs/dbraw/zinc/83/05/14/1059830514.db2.gz TUNFZNLRIVREDO-LPHOPBHVSA-N 1 2 350.466 2.940 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@@H](C)c1cccc(O)c1 ZINC001520596202 1059849468 /nfs/dbraw/zinc/84/94/68/1059849468.db2.gz LAOOSXSBGJEMIE-AWEZNQCLSA-N 1 2 352.442 2.691 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@H](C)c1cccc(C#N)c1 ZINC001520596424 1059853459 /nfs/dbraw/zinc/85/34/59/1059853459.db2.gz OANRQOHBMSLICO-OAHLLOKOSA-N 1 2 361.453 2.857 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(CCOC)CC1 ZINC001520844541 1060136974 /nfs/dbraw/zinc/13/69/74/1060136974.db2.gz DJXIXRBUJZPISC-UHFFFAOYSA-N 1 2 374.533 2.644 20 30 FFEDLO C=C(C)CN(CC)c1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1C ZINC001355652379 1060465484 /nfs/dbraw/zinc/46/54/84/1060465484.db2.gz PVOGQNMGSGORHB-SFHVURJKSA-N 1 2 355.486 2.791 20 30 FFEDLO C=C(C)CN(CC)c1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1C ZINC001355652379 1060465486 /nfs/dbraw/zinc/46/54/86/1060465486.db2.gz PVOGQNMGSGORHB-SFHVURJKSA-N 1 2 355.486 2.791 20 30 FFEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(CCCC#N)n1C ZINC001355661024 1060472576 /nfs/dbraw/zinc/47/25/76/1060472576.db2.gz MTFXRNIBLYHKAO-UHFFFAOYSA-N 1 2 367.501 2.799 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001355877425 1060685675 /nfs/dbraw/zinc/68/56/75/1060685675.db2.gz UXDYQMKSRDSAFA-KURKYZTESA-N 1 2 357.502 2.626 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001355877425 1060685684 /nfs/dbraw/zinc/68/56/84/1060685684.db2.gz UXDYQMKSRDSAFA-KURKYZTESA-N 1 2 357.502 2.626 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1cnc(C)s1 ZINC001355977282 1060778091 /nfs/dbraw/zinc/77/80/91/1060778091.db2.gz QKJNAVSCCFYKBQ-UHFFFAOYSA-N 1 2 357.487 2.580 20 30 FFEDLO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C2 ZINC001460717432 1061076082 /nfs/dbraw/zinc/07/60/82/1061076082.db2.gz SPVQJDJSZDWJNQ-UHFFFAOYSA-N 1 2 351.362 2.811 20 30 FFEDLO COC(=O)c1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C2 ZINC001460717432 1061076095 /nfs/dbraw/zinc/07/60/95/1061076095.db2.gz SPVQJDJSZDWJNQ-UHFFFAOYSA-N 1 2 351.362 2.811 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)c3ccsc3C#N)C2)cc1 ZINC001462242646 1061550799 /nfs/dbraw/zinc/55/07/99/1061550799.db2.gz KRYNEUCZRJRGCL-MRXNPFEDSA-N 1 2 355.463 2.559 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)c3ccsc3C#N)C2)cc1 ZINC001462242646 1061550815 /nfs/dbraw/zinc/55/08/15/1061550815.db2.gz KRYNEUCZRJRGCL-MRXNPFEDSA-N 1 2 355.463 2.559 20 30 FFEDLO C#CCCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001522296676 1061890200 /nfs/dbraw/zinc/89/02/00/1061890200.db2.gz UKMDJBIJYDBQRP-YRXWBPOGSA-N 1 2 370.497 2.522 20 30 FFEDLO N#Cc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)nc1Cl ZINC001434868941 1062340135 /nfs/dbraw/zinc/34/01/35/1062340135.db2.gz SPTLGNZOIADUHE-UHFFFAOYSA-N 1 2 351.797 2.781 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cnn(CC)n2)C[C@H]1c1ccccc1 ZINC001479426770 1062387106 /nfs/dbraw/zinc/38/71/06/1062387106.db2.gz ZVWUMIKEYVYUCP-RBUKOAKNSA-N 1 2 367.497 2.594 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cnn(CC)n2)C[C@H]1c1ccccc1 ZINC001479426770 1062387128 /nfs/dbraw/zinc/38/71/28/1062387128.db2.gz ZVWUMIKEYVYUCP-RBUKOAKNSA-N 1 2 367.497 2.594 20 30 FFEDLO C=C(C)Cn1c(N(CC2CC2)C2CCC2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001523780121 1062619699 /nfs/dbraw/zinc/61/96/99/1062619699.db2.gz YFJSETHUCLQBNE-XLIONFOSSA-N 1 2 359.518 2.535 20 30 FFEDLO C=C(C)Cn1c(N(CC2CC2)C2CCC2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001523780121 1062619705 /nfs/dbraw/zinc/61/97/05/1062619705.db2.gz YFJSETHUCLQBNE-XLIONFOSSA-N 1 2 359.518 2.535 20 30 FFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC001464560482 1062686348 /nfs/dbraw/zinc/68/63/48/1062686348.db2.gz LYNIIZYRQSULEL-PMACEKPBSA-N 1 2 355.482 2.962 20 30 FFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC001464560482 1062686355 /nfs/dbraw/zinc/68/63/55/1062686355.db2.gz LYNIIZYRQSULEL-PMACEKPBSA-N 1 2 355.482 2.962 20 30 FFEDLO N#Cc1ccc2c(c1)CCN2C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001436665938 1062764771 /nfs/dbraw/zinc/76/47/71/1062764771.db2.gz DMPKTTQIWCTSBB-UHFFFAOYSA-N 1 2 359.345 2.855 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001524346144 1062806576 /nfs/dbraw/zinc/80/65/76/1062806576.db2.gz CLVJVYCRJDILTI-AWEZNQCLSA-N 1 2 373.423 2.608 20 30 FFEDLO Cc1ccccc1[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)CC[NH2+]1 ZINC001464876399 1062888130 /nfs/dbraw/zinc/88/81/30/1062888130.db2.gz VQUIPXSLDNFEIP-SFHVURJKSA-N 1 2 361.511 2.745 20 30 FFEDLO C=C(C)CCC(=O)NCCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001531838638 1062892762 /nfs/dbraw/zinc/89/27/62/1062892762.db2.gz BLQWSUZQFKBPAF-IAGOWNOFSA-N 1 2 358.486 2.614 20 30 FFEDLO C=C(C)CCC(=O)NCCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001531838638 1062892771 /nfs/dbraw/zinc/89/27/71/1062892771.db2.gz BLQWSUZQFKBPAF-IAGOWNOFSA-N 1 2 358.486 2.614 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3ccc(C#N)s3)C2)c1 ZINC001532313204 1063030773 /nfs/dbraw/zinc/03/07/73/1063030773.db2.gz IJUSKIHDRSVOPJ-MRXNPFEDSA-N 1 2 355.463 2.559 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3ccc(C#N)s3)C2)c1 ZINC001532313204 1063030791 /nfs/dbraw/zinc/03/07/91/1063030791.db2.gz IJUSKIHDRSVOPJ-MRXNPFEDSA-N 1 2 355.463 2.559 20 30 FFEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCO1 ZINC001525290889 1063237427 /nfs/dbraw/zinc/23/74/27/1063237427.db2.gz BGRZIJZCIBLGAQ-SJORKVTESA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCO1 ZINC001525290889 1063237443 /nfs/dbraw/zinc/23/74/43/1063237443.db2.gz BGRZIJZCIBLGAQ-SJORKVTESA-N 1 2 372.517 2.744 20 30 FFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(N)=O)cc1-n1cc[nH+]c1 ZINC001533799262 1063410869 /nfs/dbraw/zinc/41/08/69/1063410869.db2.gz PNEFDLBNKMXXJE-AWEZNQCLSA-N 1 2 373.416 2.660 20 30 FFEDLO C=C(C)CC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)[C@H]2CC[C@H](F)C2)CC1 ZINC001575048531 1078100822 /nfs/dbraw/zinc/10/08/22/1078100822.db2.gz DZZIDKWSNPJOEP-HOTGVXAUSA-N 1 2 363.481 2.702 20 30 FFEDLO C=C(Cl)C[NH+]1CCC(N(Cc2cn[nH]n2)C(=O)C2CCCC2)CC1 ZINC001575060138 1078102431 /nfs/dbraw/zinc/10/24/31/1078102431.db2.gz UJAWMWACMQRSRL-UHFFFAOYSA-N 1 2 351.882 2.540 20 30 FFEDLO C#Cc1ccc(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)nc1 ZINC001472403936 1065048241 /nfs/dbraw/zinc/04/82/41/1065048241.db2.gz MSKMXMJRKJLEFK-UHFFFAOYSA-N 1 2 364.836 2.934 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](c2ncccn2)C1 ZINC001473834121 1065384694 /nfs/dbraw/zinc/38/46/94/1065384694.db2.gz PHNNJYSJKNSHJE-OLZOCXBDSA-N 1 2 367.478 2.715 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](c2ncccn2)C1 ZINC001473834121 1065384707 /nfs/dbraw/zinc/38/47/07/1065384707.db2.gz PHNNJYSJKNSHJE-OLZOCXBDSA-N 1 2 367.478 2.715 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001582916045 1079143089 /nfs/dbraw/zinc/14/30/89/1079143089.db2.gz TWLRHDZRXUWWMB-MCIONIFRSA-N 1 2 366.893 2.549 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001582916045 1079143093 /nfs/dbraw/zinc/14/30/93/1079143093.db2.gz TWLRHDZRXUWWMB-MCIONIFRSA-N 1 2 366.893 2.549 20 30 FFEDLO CO[C@@H]1C[C@H](c2[nH]c(C)c(C)[nH+]2)N(C(=O)[C@H]2C[C@H](C(C)=NO)C2(C)C)C1 ZINC001550387397 1074241013 /nfs/dbraw/zinc/24/10/13/1074241013.db2.gz DNQXIPYVTXPZJN-KLHDSHLOSA-N 1 2 362.474 2.827 20 30 FFEDLO C=C[C@@H](O)C(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001556788700 1075775817 /nfs/dbraw/zinc/77/58/17/1075775817.db2.gz GEXSDBBXVQEQOL-ZWKOTPCHSA-N 1 2 350.890 2.946 20 30 FFEDLO C=C[C@@H](O)C(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001556788700 1075775822 /nfs/dbraw/zinc/77/58/22/1075775822.db2.gz GEXSDBBXVQEQOL-ZWKOTPCHSA-N 1 2 350.890 2.946 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCOC[C@H]2C)c(Cl)c1 ZINC001557772112 1075887465 /nfs/dbraw/zinc/88/74/65/1075887465.db2.gz BIILGLHUKIEHGW-KDOFPFPSSA-N 1 2 361.873 2.601 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCOC[C@H]2C)c(Cl)c1 ZINC001557772112 1075887467 /nfs/dbraw/zinc/88/74/67/1075887467.db2.gz BIILGLHUKIEHGW-KDOFPFPSSA-N 1 2 361.873 2.601 20 30 FFEDLO C=CCc1cc(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)cc(OC)c1OC ZINC001558537105 1076027403 /nfs/dbraw/zinc/02/74/03/1076027403.db2.gz FZOBPANDHQJUMU-UHFFFAOYSA-N 1 2 355.438 2.964 20 30 FFEDLO N#Cc1cccc(Br)c1NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001559142118 1076129208 /nfs/dbraw/zinc/12/92/08/1076129208.db2.gz UWUSCJUKHDNEAN-CQSZACIVSA-N 1 2 364.243 2.513 20 30 FFEDLO N#C[C@H](C1CCCC1)n1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC001559370883 1076153400 /nfs/dbraw/zinc/15/34/00/1076153400.db2.gz OLZXJMOWEJCBGN-MSOLQXFVSA-N 1 2 352.442 2.501 20 30 FFEDLO N#C[C@H](C1CCCC1)n1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC001559370883 1076153402 /nfs/dbraw/zinc/15/34/02/1076153402.db2.gz OLZXJMOWEJCBGN-MSOLQXFVSA-N 1 2 352.442 2.501 20 30 FFEDLO CCCn1c[nH+]cc1CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC001560691095 1076291842 /nfs/dbraw/zinc/29/18/42/1076291842.db2.gz QMTUHHAVYCYAIW-UHFFFAOYSA-N 1 2 366.425 2.735 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3cscn3)[C@@H]2CC)CCOCC1 ZINC001566027058 1076863488 /nfs/dbraw/zinc/86/34/88/1076863488.db2.gz RNSFZGBTWQLGIH-DLBZAZTESA-N 1 2 363.527 2.985 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3cscn3)[C@@H]2CC)CCOCC1 ZINC001566027058 1076863492 /nfs/dbraw/zinc/86/34/92/1076863492.db2.gz RNSFZGBTWQLGIH-DLBZAZTESA-N 1 2 363.527 2.985 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3CCC)CC[C@@H]2C1 ZINC001566047567 1076876665 /nfs/dbraw/zinc/87/66/65/1076876665.db2.gz HKKBXAMGAYUCBE-MOPGFXCFSA-N 1 2 371.529 2.552 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3CCC)CC[C@@H]2C1 ZINC001566047567 1076876667 /nfs/dbraw/zinc/87/66/67/1076876667.db2.gz HKKBXAMGAYUCBE-MOPGFXCFSA-N 1 2 371.529 2.552 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC3CC3)[C@@H]2C)CCCCC1 ZINC001566115347 1076919429 /nfs/dbraw/zinc/91/94/29/1076919429.db2.gz VCXFWNIRSCRXIX-AEFFLSMTSA-N 1 2 361.530 2.618 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC3CC3)[C@@H]2C)CCCCC1 ZINC001566115347 1076919433 /nfs/dbraw/zinc/91/94/33/1076919433.db2.gz VCXFWNIRSCRXIX-AEFFLSMTSA-N 1 2 361.530 2.618 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC001573595840 1077749698 /nfs/dbraw/zinc/74/96/98/1077749698.db2.gz LQIVTZGOOHPULH-IAMHBRQHSA-N 1 2 354.454 2.884 20 30 FFEDLO N#Cc1ccc(OCC(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC001586123901 1079552797 /nfs/dbraw/zinc/55/27/97/1079552797.db2.gz IVUGOMIFNJUYCO-GOSISDBHSA-N 1 2 355.825 2.764 20 30 FFEDLO C=CC[N@@H+](CC(=O)N[C@H]1CCCC[C@@H]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588628121 1080127479 /nfs/dbraw/zinc/12/74/79/1080127479.db2.gz RPOHQYIUAYSJLP-YJBOKZPZSA-N 1 2 368.485 2.550 20 30 FFEDLO C=CC[N@H+](CC(=O)N[C@H]1CCCC[C@@H]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588628121 1080127480 /nfs/dbraw/zinc/12/74/80/1080127480.db2.gz RPOHQYIUAYSJLP-YJBOKZPZSA-N 1 2 368.485 2.550 20 30 FFEDLO C=CC[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588627606 1080127487 /nfs/dbraw/zinc/12/74/87/1080127487.db2.gz BHCFBOUIDPAUFO-MRXNPFEDSA-N 1 2 370.501 2.748 20 30 FFEDLO C=CC[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588627606 1080127488 /nfs/dbraw/zinc/12/74/88/1080127488.db2.gz BHCFBOUIDPAUFO-MRXNPFEDSA-N 1 2 370.501 2.748 20 30 FFEDLO N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000377091293 512119334 /nfs/dbraw/zinc/11/93/34/512119334.db2.gz UIAUEODTGHVLDJ-HNNXBMFYSA-N 1 2 367.428 2.570 20 30 FFEDLO N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000377091293 512119339 /nfs/dbraw/zinc/11/93/39/512119339.db2.gz UIAUEODTGHVLDJ-HNNXBMFYSA-N 1 2 367.428 2.570 20 30 FFEDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554897 250077101 /nfs/dbraw/zinc/07/71/01/250077101.db2.gz LPSHTPMRSJDPHJ-PKOBYXMFSA-N 1 2 354.498 2.860 20 30 FFEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118397607 250385545 /nfs/dbraw/zinc/38/55/45/250385545.db2.gz XYOPGIJGSMTCOA-IRXDYDNUSA-N 1 2 354.498 2.684 20 30 FFEDLO CCC[C@H]1C[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000272647074 252089530 /nfs/dbraw/zinc/08/95/30/252089530.db2.gz ZYQYGMWJLNZGHL-UXHICEINSA-N 1 2 355.482 2.798 20 30 FFEDLO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1nc(C2CCCCC2)no1 ZINC000273294210 252275312 /nfs/dbraw/zinc/27/53/12/252275312.db2.gz JITFAZHKNAZQNY-CQSZACIVSA-N 1 2 367.453 2.956 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(C#N)c1C ZINC000285759429 257003155 /nfs/dbraw/zinc/00/31/55/257003155.db2.gz ZHHREPDFTSBBKB-ZBEGNZNMSA-N 1 2 373.375 2.874 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(C#N)c1C ZINC000285759429 257003156 /nfs/dbraw/zinc/00/31/56/257003156.db2.gz ZHHREPDFTSBBKB-ZBEGNZNMSA-N 1 2 373.375 2.874 20 30 FFEDLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000276224377 256081954 /nfs/dbraw/zinc/08/19/54/256081954.db2.gz JJBHOSDSVAQVPF-AWEZNQCLSA-N 1 2 360.401 2.995 20 30 FFEDLO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000276224377 256081956 /nfs/dbraw/zinc/08/19/56/256081956.db2.gz JJBHOSDSVAQVPF-AWEZNQCLSA-N 1 2 360.401 2.995 20 30 FFEDLO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000276224382 256082097 /nfs/dbraw/zinc/08/20/97/256082097.db2.gz JJBHOSDSVAQVPF-CQSZACIVSA-N 1 2 360.401 2.995 20 30 FFEDLO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000276224382 256082099 /nfs/dbraw/zinc/08/20/99/256082099.db2.gz JJBHOSDSVAQVPF-CQSZACIVSA-N 1 2 360.401 2.995 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278039287 256269587 /nfs/dbraw/zinc/26/95/87/256269587.db2.gz CETYBUOZOMXNJH-AWEZNQCLSA-N 1 2 368.412 2.963 20 30 FFEDLO C[C@@H]1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@H]1n1cc[nH+]c1 ZINC000282708216 256779376 /nfs/dbraw/zinc/77/93/76/256779376.db2.gz KZBUKJUSUBVCJM-DNVCBOLYSA-N 1 2 360.421 2.664 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000289285703 257271638 /nfs/dbraw/zinc/27/16/38/257271638.db2.gz XSPNKPUUSGEJTP-UHFFFAOYSA-N 1 2 360.483 2.559 20 30 FFEDLO COc1cccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000289302505 257273082 /nfs/dbraw/zinc/27/30/82/257273082.db2.gz SGODFLOLVBFBLH-GOSISDBHSA-N 1 2 371.462 2.573 20 30 FFEDLO COc1cccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000289302505 257273083 /nfs/dbraw/zinc/27/30/83/257273083.db2.gz SGODFLOLVBFBLH-GOSISDBHSA-N 1 2 371.462 2.573 20 30 FFEDLO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1noc(COC(C)C)n1 ZINC000289445404 257281797 /nfs/dbraw/zinc/28/17/97/257281797.db2.gz FLMSROVFWYAYGH-CYBMUJFWSA-N 1 2 360.414 2.604 20 30 FFEDLO CC[N@H+](CCCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000289825526 257301431 /nfs/dbraw/zinc/30/14/31/257301431.db2.gz AISIIRWNXIJZIA-UHFFFAOYSA-N 1 2 368.412 2.669 20 30 FFEDLO CC[N@@H+](CCCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000289825526 257301432 /nfs/dbraw/zinc/30/14/32/257301432.db2.gz AISIIRWNXIJZIA-UHFFFAOYSA-N 1 2 368.412 2.669 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1Cl ZINC000290065297 257313921 /nfs/dbraw/zinc/31/39/21/257313921.db2.gz XYKAIJGKNIAPCQ-CQSZACIVSA-N 1 2 364.236 2.947 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1Cl ZINC000290065297 257313922 /nfs/dbraw/zinc/31/39/22/257313922.db2.gz XYKAIJGKNIAPCQ-CQSZACIVSA-N 1 2 364.236 2.947 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](C)c1cccc(O)c1 ZINC000290187896 257319412 /nfs/dbraw/zinc/31/94/12/257319412.db2.gz FTJJSCCBGIGGEG-AWEZNQCLSA-N 1 2 359.451 2.516 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](C)c1cccc(O)c1 ZINC000290187896 257319413 /nfs/dbraw/zinc/31/94/13/257319413.db2.gz FTJJSCCBGIGGEG-AWEZNQCLSA-N 1 2 359.451 2.516 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCCC[C@H]2c2ccco2)nc1 ZINC000290338690 257327120 /nfs/dbraw/zinc/32/71/20/257327120.db2.gz PHDUJNQVQSRIJU-INIZCTEOSA-N 1 2 359.451 2.937 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCCC[C@H]2c2ccco2)nc1 ZINC000290338690 257327121 /nfs/dbraw/zinc/32/71/21/257327121.db2.gz PHDUJNQVQSRIJU-INIZCTEOSA-N 1 2 359.451 2.937 20 30 FFEDLO CCn1cc[nH+]c1CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000298279258 257900068 /nfs/dbraw/zinc/90/00/68/257900068.db2.gz BZFWAFWHXKORHO-UHFFFAOYSA-N 1 2 371.416 2.667 20 30 FFEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000301070773 258022928 /nfs/dbraw/zinc/02/29/28/258022928.db2.gz GTWRNVNCSAQARH-HZPDHXFCSA-N 1 2 358.461 2.514 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000299523083 258001768 /nfs/dbraw/zinc/00/17/68/258001768.db2.gz QMHYQBKANKZJOB-CYBMUJFWSA-N 1 2 359.480 2.735 20 30 FFEDLO C[N@H+]1CCC[C@@H]1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000299523083 258001770 /nfs/dbraw/zinc/00/17/70/258001770.db2.gz QMHYQBKANKZJOB-CYBMUJFWSA-N 1 2 359.480 2.735 20 30 FFEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000301485188 258052035 /nfs/dbraw/zinc/05/20/35/258052035.db2.gz WHQQQGXNNMKRIA-ZDUSSCGKSA-N 1 2 368.403 2.614 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCO[C@@H](C4CCCCC4)C3)C2=O)cc1 ZINC000329691237 258145139 /nfs/dbraw/zinc/14/51/39/258145139.db2.gz WGBWWLCRDGFDHD-VQTJNVASSA-N 1 2 353.466 2.945 20 30 FFEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCO[C@@H](C4CCCCC4)C3)C2=O)cc1 ZINC000329691237 258145140 /nfs/dbraw/zinc/14/51/40/258145140.db2.gz WGBWWLCRDGFDHD-VQTJNVASSA-N 1 2 353.466 2.945 20 30 FFEDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3cccc(C#N)c3F)CC2)C1 ZINC000331975851 258208362 /nfs/dbraw/zinc/20/83/62/258208362.db2.gz MKIHWTOOMHKOPQ-LPHOPBHVSA-N 1 2 372.488 2.510 20 30 FFEDLO CC1CCN(C(=O)C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 ZINC000332526243 258233510 /nfs/dbraw/zinc/23/35/10/258233510.db2.gz FCQZOSQMHDQMEF-UHFFFAOYSA-N 1 2 360.889 2.592 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(S(=O)(=O)CC3CCCCC3)CC2)cc1 ZINC000332534472 258234269 /nfs/dbraw/zinc/23/42/69/258234269.db2.gz SLHMYJJHNVOOEJ-UHFFFAOYSA-N 1 2 361.511 2.586 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000332546157 258234803 /nfs/dbraw/zinc/23/48/03/258234803.db2.gz MWXYWWBBHCXRCC-OTWHNJEPSA-N 1 2 368.525 2.569 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000332546157 258234804 /nfs/dbraw/zinc/23/48/04/258234804.db2.gz MWXYWWBBHCXRCC-OTWHNJEPSA-N 1 2 368.525 2.569 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)CCC2 ZINC000371587450 512480384 /nfs/dbraw/zinc/48/03/84/512480384.db2.gz CXEKPTRIPFYXNG-CYBMUJFWSA-N 1 2 364.858 2.573 20 30 FFEDLO C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000377272039 512195494 /nfs/dbraw/zinc/19/54/94/512195494.db2.gz YYCAKTLWUGTYCD-UHFFFAOYSA-N 1 2 372.428 2.688 20 30 FFEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1=O ZINC000410296717 512236129 /nfs/dbraw/zinc/23/61/29/512236129.db2.gz DVUIYHSZBDNAKT-KRWDZBQOSA-N 1 2 367.415 2.610 20 30 FFEDLO Cc1nc([C@@H](NCc2c[nH+]c3ccc(C#N)cn23)c2ccccc2F)no1 ZINC000375315229 512262773 /nfs/dbraw/zinc/26/27/73/512262773.db2.gz AZWDMMMBHONKEB-SFHVURJKSA-N 1 2 362.368 2.916 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)cc1Cl ZINC000369181040 512269950 /nfs/dbraw/zinc/26/99/50/512269950.db2.gz QHLPWAIXNQMLPE-INIZCTEOSA-N 1 2 374.872 2.627 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2CN2CCCC2=O)cc1Cl ZINC000369181040 512269955 /nfs/dbraw/zinc/26/99/55/512269955.db2.gz QHLPWAIXNQMLPE-INIZCTEOSA-N 1 2 374.872 2.627 20 30 FFEDLO CC[N@@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)C[C@@H](C)C#N ZINC000066424803 506513409 /nfs/dbraw/zinc/51/34/09/506513409.db2.gz FAKRZJXRJDLMNN-ZDUSSCGKSA-N 1 2 357.376 2.725 20 30 FFEDLO CC[N@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)C[C@@H](C)C#N ZINC000066424803 506513417 /nfs/dbraw/zinc/51/34/17/506513417.db2.gz FAKRZJXRJDLMNN-ZDUSSCGKSA-N 1 2 357.376 2.725 20 30 FFEDLO CC[N@@H+](CC(=O)N(C)Cc1ccccc1Br)C[C@@H](C)C#N ZINC000066424431 506513940 /nfs/dbraw/zinc/51/39/40/506513940.db2.gz UXDRAWUBIXVWRZ-ZDUSSCGKSA-N 1 2 352.276 2.889 20 30 FFEDLO CC[N@H+](CC(=O)N(C)Cc1ccccc1Br)C[C@@H](C)C#N ZINC000066424431 506513946 /nfs/dbraw/zinc/51/39/46/506513946.db2.gz UXDRAWUBIXVWRZ-ZDUSSCGKSA-N 1 2 352.276 2.889 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CSCc3cccnc3)CC2)cc1 ZINC000041775194 506548057 /nfs/dbraw/zinc/54/80/57/506548057.db2.gz DLIJWSHENPHDEZ-UHFFFAOYSA-N 1 2 366.490 2.531 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cccc4cccnc43)CC2)cc1 ZINC000054810076 506626184 /nfs/dbraw/zinc/62/61/84/506626184.db2.gz QJOQZKODZLXWHP-UHFFFAOYSA-N 1 2 370.456 2.993 20 30 FFEDLO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1C ZINC000042978992 506683879 /nfs/dbraw/zinc/68/38/79/506683879.db2.gz BVCMBSQEDPJMTD-GHTZIAJQSA-N 1 2 356.514 2.868 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000067417054 506871236 /nfs/dbraw/zinc/87/12/36/506871236.db2.gz NHPIEZTWQKDVSB-MRXNPFEDSA-N 1 2 361.511 2.751 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000067417054 506871240 /nfs/dbraw/zinc/87/12/40/506871240.db2.gz NHPIEZTWQKDVSB-MRXNPFEDSA-N 1 2 361.511 2.751 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)Nc3cccc(C#N)c3)c[nH+]2)CCO1 ZINC000045959694 507052267 /nfs/dbraw/zinc/05/22/67/507052267.db2.gz LNGUHYQEHLVVMS-CQSZACIVSA-N 1 2 351.410 2.500 20 30 FFEDLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000373411686 512317340 /nfs/dbraw/zinc/31/73/40/512317340.db2.gz GUCRPDNTBKAPEE-BEFAXECRSA-N 1 2 355.463 2.810 20 30 FFEDLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000373411686 512317343 /nfs/dbraw/zinc/31/73/43/512317343.db2.gz GUCRPDNTBKAPEE-BEFAXECRSA-N 1 2 355.463 2.810 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000018233680 507146103 /nfs/dbraw/zinc/14/61/03/507146103.db2.gz VBMXLGNGISTTEW-DNVCBOLYSA-N 1 2 360.417 2.965 20 30 FFEDLO COc1cccc(N2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000057406526 507257165 /nfs/dbraw/zinc/25/71/65/507257165.db2.gz VOWIWFGLRJHEML-MRXNPFEDSA-N 1 2 364.449 2.716 20 30 FFEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)c(OC)c1 ZINC000057405883 507257338 /nfs/dbraw/zinc/25/73/38/507257338.db2.gz HZQLTNJDIAYEPX-OAHLLOKOSA-N 1 2 359.470 2.867 20 30 FFEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)c(OC)c1 ZINC000057405883 507257346 /nfs/dbraw/zinc/25/73/46/507257346.db2.gz HZQLTNJDIAYEPX-OAHLLOKOSA-N 1 2 359.470 2.867 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000047461865 507339856 /nfs/dbraw/zinc/33/98/56/507339856.db2.gz CNFCXKZNHNYEFF-UHFFFAOYSA-N 1 2 366.421 2.532 20 30 FFEDLO CC(C)c1ccc(C[NH+]2CCN(S(=O)(=O)CCCCC#N)CC2)cc1 ZINC000068873002 507345684 /nfs/dbraw/zinc/34/56/84/507345684.db2.gz KQQIUFVOYYMLSQ-UHFFFAOYSA-N 1 2 363.527 2.951 20 30 FFEDLO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(C#N)CC2)c1 ZINC000057877907 507348085 /nfs/dbraw/zinc/34/80/85/507348085.db2.gz PIZZCGZDJCLQFO-HNNXBMFYSA-N 1 2 356.470 2.731 20 30 FFEDLO C[N@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1ccc(C#N)cc1 ZINC000047701582 507380869 /nfs/dbraw/zinc/38/08/69/507380869.db2.gz BSTSXKCBTXTLIY-UHFFFAOYSA-N 1 2 359.451 2.568 20 30 FFEDLO C[N@@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1ccc(C#N)cc1 ZINC000047701582 507380878 /nfs/dbraw/zinc/38/08/78/507380878.db2.gz BSTSXKCBTXTLIY-UHFFFAOYSA-N 1 2 359.451 2.568 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c(C#N)c1C ZINC000375463813 512341700 /nfs/dbraw/zinc/34/17/00/512341700.db2.gz GGLDVBLPBNTQQD-SMDDNHRTSA-N 1 2 369.425 2.845 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c(C#N)c1C ZINC000375463813 512341706 /nfs/dbraw/zinc/34/17/06/512341706.db2.gz GGLDVBLPBNTQQD-SMDDNHRTSA-N 1 2 369.425 2.845 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481639 507550053 /nfs/dbraw/zinc/55/00/53/507550053.db2.gz YGCTUZMRJZGDJY-CQSZACIVSA-N 1 2 369.856 2.756 20 30 FFEDLO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)c1C ZINC000026325454 507576869 /nfs/dbraw/zinc/57/68/69/507576869.db2.gz ADGFUZKMIBSGHX-CQSZACIVSA-N 1 2 353.422 2.993 20 30 FFEDLO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c1C ZINC000026325454 507576877 /nfs/dbraw/zinc/57/68/77/507576877.db2.gz ADGFUZKMIBSGHX-CQSZACIVSA-N 1 2 353.422 2.993 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)COc3ccc(F)cc3)CCO2)c1 ZINC000367142038 512356721 /nfs/dbraw/zinc/35/67/21/512356721.db2.gz TUHGTYBESXVREL-ICSRJNTNSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)COc3ccc(F)cc3)CCO2)c1 ZINC000367142038 512356722 /nfs/dbraw/zinc/35/67/22/512356722.db2.gz TUHGTYBESXVREL-ICSRJNTNSA-N 1 2 356.397 2.511 20 30 FFEDLO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000029638130 507785389 /nfs/dbraw/zinc/78/53/89/507785389.db2.gz OLJGZQPSQMEICG-LJQANCHMSA-N 1 2 360.889 2.579 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000029760021 507789889 /nfs/dbraw/zinc/78/98/89/507789889.db2.gz NNVLYFKXQXIFFL-QGZVFWFLSA-N 1 2 374.444 2.542 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3sccc3C#N)CC2)cc1 ZINC000052034281 507794498 /nfs/dbraw/zinc/79/44/98/507794498.db2.gz DIZYQTHTTVTPNF-UHFFFAOYSA-N 1 2 355.463 2.976 20 30 FFEDLO CC(=O)c1ccc(NC(=O)[C@H](C)O[NH+]=C(N)Cc2csc(C)n2)cc1 ZINC000072920088 507873690 /nfs/dbraw/zinc/87/36/90/507873690.db2.gz GIMMYGBBMDXOJN-NSHDSACASA-N 1 2 360.439 2.513 20 30 FFEDLO C[C@@H](O)[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000089933386 507886905 /nfs/dbraw/zinc/88/69/05/507886905.db2.gz MTKCZGADPSXDLD-ZIAGYGMSSA-N 1 2 361.511 2.920 20 30 FFEDLO C[C@@H](O)[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000089933386 507886906 /nfs/dbraw/zinc/88/69/06/507886906.db2.gz MTKCZGADPSXDLD-ZIAGYGMSSA-N 1 2 361.511 2.920 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)Cc1cnn(C)c1 ZINC000108356898 507889437 /nfs/dbraw/zinc/88/94/37/507889437.db2.gz CIFFUDSEPSLAFQ-CQSZACIVSA-N 1 2 357.483 2.742 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000108356898 507889439 /nfs/dbraw/zinc/88/94/39/507889439.db2.gz CIFFUDSEPSLAFQ-CQSZACIVSA-N 1 2 357.483 2.742 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc(OC2CCCC2)c1 ZINC000108791514 507918849 /nfs/dbraw/zinc/91/88/49/507918849.db2.gz BLBWEGDCNFMRHM-UHFFFAOYSA-N 1 2 371.481 2.696 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091083367 507952543 /nfs/dbraw/zinc/95/25/43/507952543.db2.gz PJRMALYYTABLHI-INIZCTEOSA-N 1 2 364.440 2.595 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCCN(CC(F)F)CC1 ZINC000091083367 507952545 /nfs/dbraw/zinc/95/25/45/507952545.db2.gz PJRMALYYTABLHI-INIZCTEOSA-N 1 2 364.440 2.595 20 30 FFEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccncc1 ZINC000074438957 508023296 /nfs/dbraw/zinc/02/32/96/508023296.db2.gz NFMJOJJNPQIPJH-HXUWFJFHSA-N 1 2 363.465 2.932 20 30 FFEDLO CCN(CC)c1ccc(CNC(=O)Cc2ccc(OCC#N)cc2)c[nH+]1 ZINC000110633333 508038694 /nfs/dbraw/zinc/03/86/94/508038694.db2.gz XRMXGOIPTOTMMF-UHFFFAOYSA-N 1 2 352.438 2.689 20 30 FFEDLO C=CC1CCN(C(=O)NC[C@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC000111455136 508100247 /nfs/dbraw/zinc/10/02/47/508100247.db2.gz GAVFEWRUKMYUQI-HXUWFJFHSA-N 1 2 357.498 2.976 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000111731502 508117830 /nfs/dbraw/zinc/11/78/30/508117830.db2.gz SBXDWBJBDBRAEL-UHFFFAOYSA-N 1 2 353.426 2.668 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081048120 508129932 /nfs/dbraw/zinc/12/99/32/508129932.db2.gz AIRVHWXVHSUSFE-YMTOWFKASA-N 1 2 361.751 2.538 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081048120 508129934 /nfs/dbraw/zinc/12/99/34/508129934.db2.gz AIRVHWXVHSUSFE-YMTOWFKASA-N 1 2 361.751 2.538 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1C ZINC000081069071 508131992 /nfs/dbraw/zinc/13/19/92/508131992.db2.gz XSYGMROZKKSFEC-KRWDZBQOSA-N 1 2 369.387 2.549 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1C ZINC000081069071 508131995 /nfs/dbraw/zinc/13/19/95/508131995.db2.gz XSYGMROZKKSFEC-KRWDZBQOSA-N 1 2 369.387 2.549 20 30 FFEDLO COC(=O)CN(Cc1c[nH+]c2ccc(C#N)cn12)Cc1ccc(F)c(F)c1 ZINC000093282625 508134390 /nfs/dbraw/zinc/13/43/90/508134390.db2.gz NMZYZPFIRMIMOX-UHFFFAOYSA-N 1 2 370.359 2.659 20 30 FFEDLO Cc1ccccc1-c1cnc(CN(CCC#N)CC[NH+]2CCOCC2)o1 ZINC000081158193 508142245 /nfs/dbraw/zinc/14/22/45/508142245.db2.gz NMTQNYNJMPFPAP-UHFFFAOYSA-N 1 2 354.454 2.698 20 30 FFEDLO CCc1cnc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000076197759 508169258 /nfs/dbraw/zinc/16/92/58/508169258.db2.gz ICUNYXMCWVMLGQ-UHFFFAOYSA-N 1 2 369.494 2.605 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1csc(-c2cccs2)n1 ZINC000096971766 508216270 /nfs/dbraw/zinc/21/62/70/508216270.db2.gz FCXBAKBPUGGQFD-UHFFFAOYSA-N 1 2 362.524 2.919 20 30 FFEDLO C=CCCCN(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000076945132 508265280 /nfs/dbraw/zinc/26/52/80/508265280.db2.gz NJGCFVZITRAOTH-UHFFFAOYSA-N 1 2 358.486 2.697 20 30 FFEDLO N#Cc1cc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)ccc1F ZINC000102954572 508290628 /nfs/dbraw/zinc/29/06/28/508290628.db2.gz LHJOLQSCTYZRHD-LJQANCHMSA-N 1 2 368.412 2.892 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000114830070 508351878 /nfs/dbraw/zinc/35/18/78/508351878.db2.gz BFQVOGVJHVRRIV-OAHLLOKOSA-N 1 2 367.428 2.681 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000115171004 508373679 /nfs/dbraw/zinc/37/36/79/508373679.db2.gz ZCTHNALRYJUJLT-UHFFFAOYSA-N 1 2 370.375 2.785 20 30 FFEDLO CCN1C[C@H](C[N@H+](C)CC(=O)Nc2cccc(C#N)c2)Oc2ccccc21 ZINC000115290793 508381527 /nfs/dbraw/zinc/38/15/27/508381527.db2.gz HSNXHIWHUUJZEV-SFHVURJKSA-N 1 2 364.449 2.716 20 30 FFEDLO CCN1C[C@H](C[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)Oc2ccccc21 ZINC000115290793 508381528 /nfs/dbraw/zinc/38/15/28/508381528.db2.gz HSNXHIWHUUJZEV-SFHVURJKSA-N 1 2 364.449 2.716 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000115531865 508405845 /nfs/dbraw/zinc/40/58/45/508405845.db2.gz JYJXLFSQRKFEQO-IBGZPJMESA-N 1 2 368.868 2.556 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)N2CC[NH+](Cc3ccc(Cl)s3)CC2)cc1 ZINC000115532073 508406264 /nfs/dbraw/zinc/40/62/64/508406264.db2.gz XQEJGAKNQVRGHX-QGZVFWFLSA-N 1 2 374.897 2.617 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115570326 508411110 /nfs/dbraw/zinc/41/11/10/508411110.db2.gz UGVGFOSPEYAQNO-BLIXFSHQSA-N 1 2 370.497 2.557 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115570326 508411114 /nfs/dbraw/zinc/41/11/14/508411114.db2.gz UGVGFOSPEYAQNO-BLIXFSHQSA-N 1 2 370.497 2.557 20 30 FFEDLO N#Cc1ccc([C@H]([NH2+]Cc2cc(Br)cs2)C(N)=O)cc1 ZINC000115597415 508416207 /nfs/dbraw/zinc/41/62/07/508416207.db2.gz PGOGVXVSBMJEJH-ZDUSSCGKSA-N 1 2 350.241 2.698 20 30 FFEDLO CCc1ccc(-c2noc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)n2)cc1 ZINC000115675199 508425101 /nfs/dbraw/zinc/42/51/01/508425101.db2.gz BVFGFFHYVNLOEY-UHFFFAOYSA-N 1 2 374.448 2.888 20 30 FFEDLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156933092 508498817 /nfs/dbraw/zinc/49/88/17/508498817.db2.gz MMIDRAKZDPIWCJ-QRWLVFNGSA-N 1 2 370.474 2.656 20 30 FFEDLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156933092 508498821 /nfs/dbraw/zinc/49/88/21/508498821.db2.gz MMIDRAKZDPIWCJ-QRWLVFNGSA-N 1 2 370.474 2.656 20 30 FFEDLO C[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CCN1CC(F)(F)F ZINC000128057388 508541302 /nfs/dbraw/zinc/54/13/02/508541302.db2.gz OEEDPRPOUYSEKW-NSHDSACASA-N 1 2 360.405 2.517 20 30 FFEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCN1CC(F)(F)F ZINC000128057388 508541306 /nfs/dbraw/zinc/54/13/06/508541306.db2.gz OEEDPRPOUYSEKW-NSHDSACASA-N 1 2 360.405 2.517 20 30 FFEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)CCN1CC(F)F ZINC000153497962 508589400 /nfs/dbraw/zinc/58/94/00/508589400.db2.gz UFMHKBSVXPDIKQ-MRXNPFEDSA-N 1 2 364.440 2.595 20 30 FFEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CCN1CC(F)F ZINC000153497962 508589406 /nfs/dbraw/zinc/58/94/06/508589406.db2.gz UFMHKBSVXPDIKQ-MRXNPFEDSA-N 1 2 364.440 2.595 20 30 FFEDLO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000157631179 508590369 /nfs/dbraw/zinc/59/03/69/508590369.db2.gz DGXZZZIXHZLXTL-IAGOWNOFSA-N 1 2 364.453 2.859 20 30 FFEDLO O=C1[C@@H]([N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CCN1CC(F)(F)F ZINC000117353459 508594663 /nfs/dbraw/zinc/59/46/63/508594663.db2.gz RZZCQPGTVRJSEG-ZETCQYMHSA-N 1 2 372.231 2.966 20 30 FFEDLO O=C1[C@@H]([N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CCN1CC(F)(F)F ZINC000117353459 508594665 /nfs/dbraw/zinc/59/46/65/508594665.db2.gz RZZCQPGTVRJSEG-ZETCQYMHSA-N 1 2 372.231 2.966 20 30 FFEDLO Cc1cc(S(=O)(=O)N2CC[NH+](CCC(C)(C)C#N)CC2)c(C)s1 ZINC000157819340 508617605 /nfs/dbraw/zinc/61/76/05/508617605.db2.gz XAUPLENYIPUNIV-UHFFFAOYSA-N 1 2 355.529 2.611 20 30 FFEDLO Cc1cc([C@H]2C[N@H+](C[C@H](O)COc3ccc(C#N)cc3)CCO2)ccc1F ZINC000128615070 508618525 /nfs/dbraw/zinc/61/85/25/508618525.db2.gz LQDONUSWSMKLSQ-GHTZIAJQSA-N 1 2 370.424 2.819 20 30 FFEDLO Cc1cc([C@H]2C[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)CCO2)ccc1F ZINC000128615070 508618530 /nfs/dbraw/zinc/61/85/30/508618530.db2.gz LQDONUSWSMKLSQ-GHTZIAJQSA-N 1 2 370.424 2.819 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCOC3(CCOCC3)C2)c2ccccc21 ZINC000135648586 508637484 /nfs/dbraw/zinc/63/74/84/508637484.db2.gz OSDWTQCTHOKVER-UHFFFAOYSA-N 1 2 367.449 2.619 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@H+]2CCOC3(CCOCC3)C2)c2ccccc21 ZINC000135648586 508637485 /nfs/dbraw/zinc/63/74/85/508637485.db2.gz OSDWTQCTHOKVER-UHFFFAOYSA-N 1 2 367.449 2.619 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000135676802 508639695 /nfs/dbraw/zinc/63/96/95/508639695.db2.gz DKCHRLHWSRJFCZ-QGZVFWFLSA-N 1 2 372.296 2.575 20 30 FFEDLO COc1cccc(OCC[NH+]2CCN(C(=O)C3(C#N)CCCCC3)CC2)c1 ZINC000158084143 508654509 /nfs/dbraw/zinc/65/45/09/508654509.db2.gz QJIIZSSYXVWRFW-UHFFFAOYSA-N 1 2 371.481 2.692 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000158192044 508669815 /nfs/dbraw/zinc/66/98/15/508669815.db2.gz XSKYLBAXCRPOCT-KRWDZBQOSA-N 1 2 370.280 2.596 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000158192044 508669817 /nfs/dbraw/zinc/66/98/17/508669817.db2.gz XSKYLBAXCRPOCT-KRWDZBQOSA-N 1 2 370.280 2.596 20 30 FFEDLO CC(C)N(Cc1c[nH+]c2ccc(C#N)cn12)Cc1nc2ccccc2c(=O)[nH]1 ZINC000158505527 508714797 /nfs/dbraw/zinc/71/47/97/508714797.db2.gz PVRUFYRHLLPNKX-UHFFFAOYSA-N 1 2 372.432 2.853 20 30 FFEDLO CC(C)[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1nc2ccccc2c(=O)[nH]1 ZINC000158505527 508714801 /nfs/dbraw/zinc/71/48/01/508714801.db2.gz PVRUFYRHLLPNKX-UHFFFAOYSA-N 1 2 372.432 2.853 20 30 FFEDLO CC(C)[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1nc2ccccc2c(=O)[nH]1 ZINC000158505527 508714802 /nfs/dbraw/zinc/71/48/02/508714802.db2.gz PVRUFYRHLLPNKX-UHFFFAOYSA-N 1 2 372.432 2.853 20 30 FFEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000136920855 508724759 /nfs/dbraw/zinc/72/47/59/508724759.db2.gz DVOAKNDARHCBHB-CYBMUJFWSA-N 1 2 368.403 2.614 20 30 FFEDLO COC(=O)C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CCOCC1 ZINC000154169426 508729328 /nfs/dbraw/zinc/72/93/28/508729328.db2.gz YSJGBJAWXXDNBQ-UHFFFAOYSA-N 1 2 371.355 2.591 20 30 FFEDLO COC(=O)C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CCOCC1 ZINC000154169426 508729333 /nfs/dbraw/zinc/72/93/33/508729333.db2.gz YSJGBJAWXXDNBQ-UHFFFAOYSA-N 1 2 371.355 2.591 20 30 FFEDLO CC(C)[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccn1 ZINC000139242172 508785739 /nfs/dbraw/zinc/78/57/39/508785739.db2.gz DRXXBPAPHLAEPJ-UHFFFAOYSA-N 1 2 374.448 2.988 20 30 FFEDLO CC(C)[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccn1 ZINC000139242172 508785743 /nfs/dbraw/zinc/78/57/43/508785743.db2.gz DRXXBPAPHLAEPJ-UHFFFAOYSA-N 1 2 374.448 2.988 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(C)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000130177259 508801751 /nfs/dbraw/zinc/80/17/51/508801751.db2.gz PMFIAZRGISABNI-CQSZACIVSA-N 1 2 358.301 2.933 20 30 FFEDLO C=CC[N@H+](Cc1ccc(C)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000130177259 508801756 /nfs/dbraw/zinc/80/17/56/508801756.db2.gz PMFIAZRGISABNI-CQSZACIVSA-N 1 2 358.301 2.933 20 30 FFEDLO CC[N@@H+](CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C)C[C@@H](C)C#N ZINC000140416276 508804422 /nfs/dbraw/zinc/80/44/22/508804422.db2.gz XXLQTTIWASXJQW-INIZCTEOSA-N 1 2 367.497 2.646 20 30 FFEDLO CC[N@H+](CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C)C[C@@H](C)C#N ZINC000140416276 508804425 /nfs/dbraw/zinc/80/44/25/508804425.db2.gz XXLQTTIWASXJQW-INIZCTEOSA-N 1 2 367.497 2.646 20 30 FFEDLO C=CCOc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1Cl ZINC000154770266 508852006 /nfs/dbraw/zinc/85/20/06/508852006.db2.gz AHZLLRVPOIFTLO-UHFFFAOYSA-N 1 2 363.889 2.953 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnc(-c2ccsc2)s1 ZINC000154803901 508859886 /nfs/dbraw/zinc/85/98/86/508859886.db2.gz NLNHUIMXINEQMA-UHFFFAOYSA-N 1 2 362.524 2.919 20 30 FFEDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cnc2ccc(C#N)cn12 ZINC000154865093 508872127 /nfs/dbraw/zinc/87/21/27/508872127.db2.gz RZAZTIGKBVGBCD-UHFFFAOYSA-N 1 2 363.421 2.675 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cnc2ccc(C#N)cn12 ZINC000154865093 508872130 /nfs/dbraw/zinc/87/21/30/508872130.db2.gz RZAZTIGKBVGBCD-UHFFFAOYSA-N 1 2 363.421 2.675 20 30 FFEDLO C=CCc1ccc(OCC(=O)NCc2[nH+]ccn2CC(C)C)c(OC)c1 ZINC000131253637 508905579 /nfs/dbraw/zinc/90/55/79/508905579.db2.gz MCUKVPWLKRDUHR-UHFFFAOYSA-N 1 2 357.454 2.971 20 30 FFEDLO CCC[C@@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000131690762 508960777 /nfs/dbraw/zinc/96/07/77/508960777.db2.gz ICKXRRLMSTURNP-QGZVFWFLSA-N 1 2 368.399 2.674 20 30 FFEDLO CCC[C@@H]1C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000131690762 508960781 /nfs/dbraw/zinc/96/07/81/508960781.db2.gz ICKXRRLMSTURNP-QGZVFWFLSA-N 1 2 368.399 2.674 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cn(-c2ccccc2)nn1 ZINC000151240435 508984413 /nfs/dbraw/zinc/98/44/13/508984413.db2.gz LEFCFWNIJSYBER-CABCVRRESA-N 1 2 360.421 2.817 20 30 FFEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000120469162 509003150 /nfs/dbraw/zinc/00/31/50/509003150.db2.gz RZCQKZDWISSCJB-UHFFFAOYSA-N 1 2 350.397 2.900 20 30 FFEDLO C[C@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000120566821 509022308 /nfs/dbraw/zinc/02/23/08/509022308.db2.gz PVMFRFUJASNHAO-OAHLLOKOSA-N 1 2 365.424 2.533 20 30 FFEDLO COc1ccc(OC)c(CN2CC[NH+](Cc3cc(C#N)cs3)CC2)c1 ZINC000161046405 509064612 /nfs/dbraw/zinc/06/46/12/509064612.db2.gz FBCAITNSBQZRLJ-UHFFFAOYSA-N 1 2 357.479 2.955 20 30 FFEDLO CC(C)[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1nc(-c2nc[nH]n2)no1 ZINC000120862221 509078203 /nfs/dbraw/zinc/07/82/03/509078203.db2.gz QHOWGMJECQIVSF-CQSZACIVSA-N 1 2 356.817 2.847 20 30 FFEDLO CN(CCCn1cc[nH+]c1)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000121132770 509135849 /nfs/dbraw/zinc/13/58/49/509135849.db2.gz QWXNIPRWVSCUQF-UHFFFAOYSA-N 1 2 364.371 2.985 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000156205485 509143932 /nfs/dbraw/zinc/14/39/32/509143932.db2.gz KIGHXWVOPVETFZ-INIZCTEOSA-N 1 2 364.449 2.752 20 30 FFEDLO CCc1nc(CN2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)cs1 ZINC000121334495 509167545 /nfs/dbraw/zinc/16/75/45/509167545.db2.gz VRKIJTGRVAJMLH-UHFFFAOYSA-N 1 2 356.495 2.904 20 30 FFEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000191911014 509242967 /nfs/dbraw/zinc/24/29/67/509242967.db2.gz PJMJZDIZONBEGZ-UHFFFAOYSA-N 1 2 354.454 2.880 20 30 FFEDLO CC(C)c1nnc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)o1 ZINC000263960105 509248701 /nfs/dbraw/zinc/24/87/01/509248701.db2.gz ODDPWAREWLSADG-UHFFFAOYSA-N 1 2 353.426 2.915 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000179227026 509329600 /nfs/dbraw/zinc/32/96/00/509329600.db2.gz RJHWPOZSPLANHG-MRXNPFEDSA-N 1 2 361.486 2.769 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000179227026 509329609 /nfs/dbraw/zinc/32/96/09/509329609.db2.gz RJHWPOZSPLANHG-MRXNPFEDSA-N 1 2 361.486 2.769 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](CCS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000264104121 509331931 /nfs/dbraw/zinc/33/19/31/509331931.db2.gz JEZNYVSSVXPGAA-UHFFFAOYSA-N 1 2 370.474 2.875 20 30 FFEDLO COc1cccc2c1CC[N@@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000182703575 509382675 /nfs/dbraw/zinc/38/26/75/509382675.db2.gz QLDYCLCWQCDNCW-MRXNPFEDSA-N 1 2 353.447 2.792 20 30 FFEDLO COc1cccc2c1CC[N@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000182703575 509382680 /nfs/dbraw/zinc/38/26/80/509382680.db2.gz QLDYCLCWQCDNCW-MRXNPFEDSA-N 1 2 353.447 2.792 20 30 FFEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)NC[C@H](C)C#N)CC1 ZINC000182794203 509429943 /nfs/dbraw/zinc/42/99/43/509429943.db2.gz RMTATBIWUDTZSY-CXAGYDPISA-N 1 2 350.413 2.903 20 30 FFEDLO C=CCCOCCNC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000179496710 509479226 /nfs/dbraw/zinc/47/92/26/509479226.db2.gz WYZKBNFMEDEKQG-UHFFFAOYSA-N 1 2 353.466 2.935 20 30 FFEDLO C=CCCOCCNC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000179496710 509479238 /nfs/dbraw/zinc/47/92/38/509479238.db2.gz WYZKBNFMEDEKQG-UHFFFAOYSA-N 1 2 353.466 2.935 20 30 FFEDLO CCc1cc(N2CCN(c3cc(C#N)ccn3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000264436922 509527470 /nfs/dbraw/zinc/52/74/70/509527470.db2.gz RRXQYSVSAYZUNE-UHFFFAOYSA-N 1 2 371.448 2.694 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192464002 509530940 /nfs/dbraw/zinc/53/09/40/509530940.db2.gz BMRMJKHEXDCCHK-HXUWFJFHSA-N 1 2 359.445 2.775 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192467250 509531210 /nfs/dbraw/zinc/53/12/10/509531210.db2.gz UNBGMQQGKZFEQN-OAHLLOKOSA-N 1 2 359.445 2.729 20 30 FFEDLO CCC1(CC)C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[S@]1=O ZINC000248980372 509562060 /nfs/dbraw/zinc/56/20/60/509562060.db2.gz IRSSFEPBRLMWEW-HFJWLAOPSA-N 1 2 373.522 2.677 20 30 FFEDLO CCC1(CC)C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[S@]1=O ZINC000248980372 509562068 /nfs/dbraw/zinc/56/20/68/509562068.db2.gz IRSSFEPBRLMWEW-HFJWLAOPSA-N 1 2 373.522 2.677 20 30 FFEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000186179352 509562428 /nfs/dbraw/zinc/56/24/28/509562428.db2.gz PGKXAIXXWSURCC-UHFFFAOYSA-N 1 2 351.425 2.893 20 30 FFEDLO C=C1CC[NH+](CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)CC1 ZINC000264512461 509572595 /nfs/dbraw/zinc/57/25/95/509572595.db2.gz XYWPKAVGJKLIDK-UHFFFAOYSA-N 1 2 367.449 2.824 20 30 FFEDLO C[S@](=O)C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000183113828 509604098 /nfs/dbraw/zinc/60/40/98/509604098.db2.gz VOIAQQUMURLSIE-QUGAMOGWSA-N 1 2 366.446 2.818 20 30 FFEDLO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000176771294 509681903 /nfs/dbraw/zinc/68/19/03/509681903.db2.gz OSJKYZINNGDVJZ-UHFFFAOYSA-N 1 2 373.453 2.512 20 30 FFEDLO C#CCNC(=O)c1ccc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)nc1 ZINC000264854930 509741658 /nfs/dbraw/zinc/74/16/58/509741658.db2.gz JKJGCBOQTHESLK-UHFFFAOYSA-N 1 2 359.433 2.705 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCCO[C@@H](C)C2)c1C#N ZINC000170772003 509767095 /nfs/dbraw/zinc/76/70/95/509767095.db2.gz LKDIPCPQFSHYAS-AWEZNQCLSA-N 1 2 370.453 2.667 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCCO[C@@H](C)C2)c1C#N ZINC000170772003 509767101 /nfs/dbraw/zinc/76/71/01/509767101.db2.gz LKDIPCPQFSHYAS-AWEZNQCLSA-N 1 2 370.453 2.667 20 30 FFEDLO C=CC[C@@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1ccccc1 ZINC000186581021 509782599 /nfs/dbraw/zinc/78/25/99/509782599.db2.gz BSIOPAFXHDIBPQ-LJQANCHMSA-N 1 2 351.450 2.894 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180192851 509803719 /nfs/dbraw/zinc/80/37/19/509803719.db2.gz RCMMKRYOAROIRH-CVEARBPZSA-N 1 2 373.881 2.838 20 30 FFEDLO CC[N@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180192851 509803723 /nfs/dbraw/zinc/80/37/23/509803723.db2.gz RCMMKRYOAROIRH-CVEARBPZSA-N 1 2 373.881 2.838 20 30 FFEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000173857783 509821234 /nfs/dbraw/zinc/82/12/34/509821234.db2.gz ZWTLEXVPIOXJIF-KBXCAEBGSA-N 1 2 351.441 2.724 20 30 FFEDLO C=CCNC(=O)[C@H](C)N1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000173857783 509821238 /nfs/dbraw/zinc/82/12/38/509821238.db2.gz ZWTLEXVPIOXJIF-KBXCAEBGSA-N 1 2 351.441 2.724 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(F)c3C#N)c[nH+]2)C[C@@H](C)O1 ZINC000186715396 509868112 /nfs/dbraw/zinc/86/81/12/509868112.db2.gz NVFDWHXEJGVXPH-ZIAGYGMSSA-N 1 2 368.412 2.636 20 30 FFEDLO CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000245388592 509891231 /nfs/dbraw/zinc/89/12/31/509891231.db2.gz DMABUAFUXZFOFO-ZBFHGGJFSA-N 1 2 374.485 2.723 20 30 FFEDLO CCCC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000245388592 509891238 /nfs/dbraw/zinc/89/12/38/509891238.db2.gz DMABUAFUXZFOFO-ZBFHGGJFSA-N 1 2 374.485 2.723 20 30 FFEDLO CCN1CC[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C(C)(C)C1=O ZINC000190029410 509894491 /nfs/dbraw/zinc/89/44/91/509894491.db2.gz BMYIRYMKZPMLHF-UHFFFAOYSA-N 1 2 359.470 2.820 20 30 FFEDLO CCN1CC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C(C)(C)C1=O ZINC000190029410 509894499 /nfs/dbraw/zinc/89/44/99/509894499.db2.gz BMYIRYMKZPMLHF-UHFFFAOYSA-N 1 2 359.470 2.820 20 30 FFEDLO C[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H](C)[NH+]1CCOCC1 ZINC000174089656 509944083 /nfs/dbraw/zinc/94/40/83/509944083.db2.gz XEJVTIDEJQCADM-NEPJUHHUSA-N 1 2 370.375 2.808 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000183742577 509954899 /nfs/dbraw/zinc/95/48/99/509954899.db2.gz QIPLAQCXGBKPHU-QGZVFWFLSA-N 1 2 365.474 2.524 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000183742577 509954902 /nfs/dbraw/zinc/95/49/02/509954902.db2.gz QIPLAQCXGBKPHU-QGZVFWFLSA-N 1 2 365.474 2.524 20 30 FFEDLO Cc1nc2sccn2c1C[N@@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000268517279 509982984 /nfs/dbraw/zinc/98/29/84/509982984.db2.gz YRPDVBBWDANUNJ-ZDUSSCGKSA-N 1 2 371.491 2.875 20 30 FFEDLO Cc1nc2sccn2c1C[N@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000268517279 509982987 /nfs/dbraw/zinc/98/29/87/509982987.db2.gz YRPDVBBWDANUNJ-ZDUSSCGKSA-N 1 2 371.491 2.875 20 30 FFEDLO N#CCCn1cc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)c(-c2ccccc2)n1 ZINC000245560250 510006508 /nfs/dbraw/zinc/00/65/08/510006508.db2.gz MTWFGBSQFMDPOP-RBUKOAKNSA-N 1 2 363.465 2.707 20 30 FFEDLO N#CCCn1cc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)c(-c2ccccc2)n1 ZINC000245560250 510006512 /nfs/dbraw/zinc/00/65/12/510006512.db2.gz MTWFGBSQFMDPOP-RBUKOAKNSA-N 1 2 363.465 2.707 20 30 FFEDLO COc1cccc(C(N)=[NH+]OCC(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000174215021 510007257 /nfs/dbraw/zinc/00/72/57/510007257.db2.gz UGWHFFCKGIQQLG-UHFFFAOYSA-N 1 2 368.437 2.571 20 30 FFEDLO CC(C)C(=O)N1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000265661254 510162555 /nfs/dbraw/zinc/16/25/55/510162555.db2.gz RYPVLOQFKYPNNF-GOSISDBHSA-N 1 2 370.497 2.512 20 30 FFEDLO CC(C)C(=O)N1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000265661254 510162560 /nfs/dbraw/zinc/16/25/60/510162560.db2.gz RYPVLOQFKYPNNF-GOSISDBHSA-N 1 2 370.497 2.512 20 30 FFEDLO COCC[NH+]1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000171487111 510189755 /nfs/dbraw/zinc/18/97/55/510189755.db2.gz QFBXQYWVLIMTMK-UHFFFAOYSA-N 1 2 365.433 2.755 20 30 FFEDLO CC(=O)N1CC[N@H+](Cc2ccc(C#N)cc2Br)C(C)(C)C1 ZINC000181232464 510314198 /nfs/dbraw/zinc/31/41/98/510314198.db2.gz GUXOKGVGBIWLEH-UHFFFAOYSA-N 1 2 350.260 2.763 20 30 FFEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C#N)cc2Br)C(C)(C)C1 ZINC000181232464 510314201 /nfs/dbraw/zinc/31/42/01/510314201.db2.gz GUXOKGVGBIWLEH-UHFFFAOYSA-N 1 2 350.260 2.763 20 30 FFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246169573 510335425 /nfs/dbraw/zinc/33/54/25/510335425.db2.gz CQTOWOKGHHQMEV-HZPDHXFCSA-N 1 2 373.881 2.838 20 30 FFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246169573 510335429 /nfs/dbraw/zinc/33/54/29/510335429.db2.gz CQTOWOKGHHQMEV-HZPDHXFCSA-N 1 2 373.881 2.838 20 30 FFEDLO Cn1cc(C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)cn1 ZINC000181436909 510407993 /nfs/dbraw/zinc/40/79/93/510407993.db2.gz MDYFGHSGOMWIPZ-KRWDZBQOSA-N 1 2 374.286 2.565 20 30 FFEDLO C=CCSCCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000194625273 510450852 /nfs/dbraw/zinc/45/08/52/510450852.db2.gz TWWWFZKIVGPXLV-SFHVURJKSA-N 1 2 363.527 2.587 20 30 FFEDLO COc1ccc([C@H]([NH2+]CC(=O)NCC#N)c2ccccc2Cl)c(C)c1 ZINC000175135829 510498693 /nfs/dbraw/zinc/49/86/93/510498693.db2.gz BQMQMBYYYLEGBB-IBGZPJMESA-N 1 2 357.841 2.976 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000178273592 510521612 /nfs/dbraw/zinc/52/16/12/510521612.db2.gz JNZDAWRQQKJJEX-RDJZCZTQSA-N 1 2 372.431 2.723 20 30 FFEDLO CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1C#N ZINC000269842013 510567808 /nfs/dbraw/zinc/56/78/08/510567808.db2.gz OUZYVSSMGSHLAV-GFCCVEGCSA-N 1 2 356.386 2.533 20 30 FFEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc([S@@](C)=O)cc1 ZINC000178411711 510591814 /nfs/dbraw/zinc/59/18/14/510591814.db2.gz BOIOWUMRKBLLCJ-AREMUKBSSA-N 1 2 369.490 2.803 20 30 FFEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc([S@@](C)=O)cc1 ZINC000178411711 510591821 /nfs/dbraw/zinc/59/18/21/510591821.db2.gz BOIOWUMRKBLLCJ-AREMUKBSSA-N 1 2 369.490 2.803 20 30 FFEDLO Cn1cc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1C#N ZINC000191312616 510600534 /nfs/dbraw/zinc/60/05/34/510600534.db2.gz LYCRHTPIAQLVJP-UHFFFAOYSA-N 1 2 360.820 2.647 20 30 FFEDLO N#Cc1cccc(CNC(=O)NCc2[nH+]ccn2CCc2ccccc2)c1 ZINC000175366941 510610888 /nfs/dbraw/zinc/61/08/88/510610888.db2.gz ZZLLPNFPODDTJQ-UHFFFAOYSA-N 1 2 359.433 2.997 20 30 FFEDLO N#CCCn1ccc(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)n1 ZINC000191409727 510645672 /nfs/dbraw/zinc/64/56/72/510645672.db2.gz JTJVRIBIQYWCFE-UHFFFAOYSA-N 1 2 365.397 2.716 20 30 FFEDLO CCO[C@H](C)c1nc(CN2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)cs1 ZINC000191413951 510649310 /nfs/dbraw/zinc/64/93/10/510649310.db2.gz SYQWVBSOIQHKFE-OAHLLOKOSA-N 1 2 373.526 2.769 20 30 FFEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@H]2C)nnc1-c1ccc(OC)cc1 ZINC000188249161 510668832 /nfs/dbraw/zinc/66/88/32/510668832.db2.gz VVKZHRGDGAQQHZ-OAHLLOKOSA-N 1 2 374.510 2.953 20 30 FFEDLO C=CCn1c(SCC[N@H+]2CCOC[C@H]2C)nnc1-c1ccc(OC)cc1 ZINC000188249161 510668839 /nfs/dbraw/zinc/66/88/39/510668839.db2.gz VVKZHRGDGAQQHZ-OAHLLOKOSA-N 1 2 374.510 2.953 20 30 FFEDLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000185113231 510692338 /nfs/dbraw/zinc/69/23/38/510692338.db2.gz XBZGNNNEEOPWMY-YYUOZPCZSA-N 1 2 367.540 2.526 20 30 FFEDLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000185113231 510692344 /nfs/dbraw/zinc/69/23/44/510692344.db2.gz XBZGNNNEEOPWMY-YYUOZPCZSA-N 1 2 367.540 2.526 20 30 FFEDLO C=C(C)[C@H](CC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1)OCC ZINC000270143613 510692568 /nfs/dbraw/zinc/69/25/68/510692568.db2.gz SRQXSSQFZUNLPX-CVEARBPZSA-N 1 2 352.500 2.609 20 30 FFEDLO CC[N@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000178680590 510718118 /nfs/dbraw/zinc/71/81/18/510718118.db2.gz DZIZUHZYYPHKDD-UHFFFAOYSA-N 1 2 368.408 2.909 20 30 FFEDLO CC[N@@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000178680590 510718121 /nfs/dbraw/zinc/71/81/21/510718121.db2.gz DZIZUHZYYPHKDD-UHFFFAOYSA-N 1 2 368.408 2.909 20 30 FFEDLO C=CCC[C@H](O)C[N@@H+](CC(=O)OC)Cc1cccc(Br)c1 ZINC000191614477 510751917 /nfs/dbraw/zinc/75/19/17/510751917.db2.gz XLLBUTSAIMWERU-HNNXBMFYSA-N 1 2 356.260 2.751 20 30 FFEDLO C=CCC[C@H](O)C[N@H+](CC(=O)OC)Cc1cccc(Br)c1 ZINC000191614477 510751924 /nfs/dbraw/zinc/75/19/24/510751924.db2.gz XLLBUTSAIMWERU-HNNXBMFYSA-N 1 2 356.260 2.751 20 30 FFEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000182119520 510766825 /nfs/dbraw/zinc/76/68/25/510766825.db2.gz KALOGQKQTRZQHP-OXJNMPFZSA-N 1 2 365.433 2.817 20 30 FFEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000182119520 510766829 /nfs/dbraw/zinc/76/68/29/510766829.db2.gz KALOGQKQTRZQHP-OXJNMPFZSA-N 1 2 365.433 2.817 20 30 FFEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000247671239 510868415 /nfs/dbraw/zinc/86/84/15/510868415.db2.gz QWFCNSJFGMLCEL-BLLLJJGKSA-N 1 2 364.858 2.680 20 30 FFEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)N[C@H]1CCCCC1(C)C ZINC000329923763 510878802 /nfs/dbraw/zinc/87/88/02/510878802.db2.gz UPOQPPVQIXASSM-JYJNAYRXSA-N 1 2 365.497 2.805 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C3CC3)nn2)[C@H]1c1ccc(F)c(F)c1 ZINC000329928604 510879715 /nfs/dbraw/zinc/87/97/15/510879715.db2.gz YAQKZCJSYBLOLQ-FUHWJXTLSA-N 1 2 373.407 2.825 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C3CC3)nn2)[C@H]1c1ccc(F)c(F)c1 ZINC000329928604 510879721 /nfs/dbraw/zinc/87/97/21/510879721.db2.gz YAQKZCJSYBLOLQ-FUHWJXTLSA-N 1 2 373.407 2.825 20 30 FFEDLO C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)[C@@H](C)C1 ZINC000329926571 510879736 /nfs/dbraw/zinc/87/97/36/510879736.db2.gz WHZSVXFOTBNEAJ-XAJHFOFHSA-N 1 2 365.497 2.661 20 30 FFEDLO Cc1c2ccccc2n(C)c1CNC([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329958630 510887294 /nfs/dbraw/zinc/88/72/94/510887294.db2.gz QRMYCAKWCWDMJF-OAHLLOKOSA-N 1 2 351.454 2.949 20 30 FFEDLO Cn1cc(N2CC[NH+](CC(=O)N[C@H]3CCCc4ccccc43)CC2)cn1 ZINC000329962984 510889051 /nfs/dbraw/zinc/88/90/51/510889051.db2.gz TUEFMXKDZOQNOZ-IBGZPJMESA-N 1 2 353.470 2.576 20 30 FFEDLO CCN1CCN(C(=O)N[C@H](C)Cc2ccccc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000330003482 510898502 /nfs/dbraw/zinc/89/85/02/510898502.db2.gz ZSWNJABOMCYJHZ-AEFFLSMTSA-N 1 2 355.486 2.942 20 30 FFEDLO CCN(CCC#N)C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000275577927 510906931 /nfs/dbraw/zinc/90/69/31/510906931.db2.gz BXZQGMRXQQDVPO-UHFFFAOYSA-N 1 2 365.437 2.587 20 30 FFEDLO CC(C)(C)c1nc(=NC(=O)NC2CC[NH+](C3CCCC3)CC2)s[nH]1 ZINC000330101135 510916789 /nfs/dbraw/zinc/91/67/89/510916789.db2.gz FGVLYTDFHQJEKB-UHFFFAOYSA-N 1 2 351.520 2.990 20 30 FFEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCO[C@H](C3CC3)C2)C[C@@H](C)O1 ZINC000330155936 510927528 /nfs/dbraw/zinc/92/75/28/510927528.db2.gz YMZVOBAXKXKZDP-QINHECLXSA-N 1 2 373.497 2.952 20 30 FFEDLO C[C@H]1COC(C)(C)CN1CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000330250578 510947314 /nfs/dbraw/zinc/94/73/14/510947314.db2.gz NADDPRHYRRBDES-ZDUSSCGKSA-N 1 2 352.504 2.826 20 30 FFEDLO C[C@@H]1C(=O)Nc2cc(C(=O)NCC(C)(C)[NH+]3CCOCC3)ccc2N1C ZINC000330259578 510949223 /nfs/dbraw/zinc/94/92/23/510949223.db2.gz NNRVWJHFCGCSAS-CYBMUJFWSA-N 1 2 360.458 2.528 20 30 FFEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1)c1ccccc1 ZINC000277734926 510971085 /nfs/dbraw/zinc/97/10/85/510971085.db2.gz KISVQGQRLDIWPN-RHSMWYFYSA-N 1 2 369.387 2.568 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1)c1ccccc1 ZINC000277734926 510971089 /nfs/dbraw/zinc/97/10/89/510971089.db2.gz KISVQGQRLDIWPN-RHSMWYFYSA-N 1 2 369.387 2.568 20 30 FFEDLO N#Cc1ccccc1S(=O)(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282478162 510994043 /nfs/dbraw/zinc/99/40/43/510994043.db2.gz XISJCDFUXGGRAL-INIZCTEOSA-N 1 2 370.478 2.659 20 30 FFEDLO C[C@@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1c[nH]c2ccccc21 ZINC000278621332 511001476 /nfs/dbraw/zinc/00/14/76/511001476.db2.gz KCGRWYNUPQRYKF-KRWDZBQOSA-N 1 2 368.481 2.736 20 30 FFEDLO CC(=O)Nc1ccc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c(Cl)c1 ZINC000330669028 511006135 /nfs/dbraw/zinc/00/61/35/511006135.db2.gz KHTVDOMRWLHFFB-UHFFFAOYSA-N 1 2 368.865 2.735 20 30 FFEDLO CC(=O)Nc1ccc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)c(Cl)c1 ZINC000330669028 511006139 /nfs/dbraw/zinc/00/61/39/511006139.db2.gz KHTVDOMRWLHFFB-UHFFFAOYSA-N 1 2 368.865 2.735 20 30 FFEDLO CC1(C#N)CC[NH+](CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000330772949 511015639 /nfs/dbraw/zinc/01/56/39/511015639.db2.gz DVDNVLSZBULYKW-UHFFFAOYSA-N 1 2 371.300 2.848 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2nc(C)no2)c(OC)c1 ZINC000285881257 511015998 /nfs/dbraw/zinc/01/59/98/511015998.db2.gz ZNCBEYAUGIHLLB-DLBZAZTESA-N 1 2 373.453 2.692 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2nc(C)no2)c(OC)c1 ZINC000285881257 511016004 /nfs/dbraw/zinc/01/60/04/511016004.db2.gz ZNCBEYAUGIHLLB-DLBZAZTESA-N 1 2 373.453 2.692 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)NC[C@](C)(O)CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000330807108 511018540 /nfs/dbraw/zinc/01/85/40/511018540.db2.gz MLTDSJGFAPRQAR-YXJHDRRASA-N 1 2 373.419 2.904 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)NC[C@](C)(O)CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000330807108 511018546 /nfs/dbraw/zinc/01/85/46/511018546.db2.gz MLTDSJGFAPRQAR-YXJHDRRASA-N 1 2 373.419 2.904 20 30 FFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000330847586 511022867 /nfs/dbraw/zinc/02/28/67/511022867.db2.gz PGXIPTIIVCYUDG-PELKAZGASA-N 1 2 358.186 2.948 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000287238067 511045188 /nfs/dbraw/zinc/04/51/88/511045188.db2.gz WUDZABDJSUTXLL-NEWSRXKRSA-N 1 2 356.470 2.536 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000331327949 511061337 /nfs/dbraw/zinc/06/13/37/511061337.db2.gz GEHVHTKMKBUZMO-LIRRHRJNSA-N 1 2 362.449 2.507 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cnc([C@@H]4CCCO4)s3)CC2)c1 ZINC000271024470 511061426 /nfs/dbraw/zinc/06/14/26/511061426.db2.gz COHTZTIRQXAJJF-INIZCTEOSA-N 1 2 355.467 2.583 20 30 FFEDLO Cc1csc(=O)n1CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000332149847 511078461 /nfs/dbraw/zinc/07/84/61/511078461.db2.gz OLXMEEQQBAJZRY-UHFFFAOYSA-N 1 2 362.886 2.566 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000289236214 511095702 /nfs/dbraw/zinc/09/57/02/511095702.db2.gz OJMOKNUFOBVPDG-FGTMMUONSA-N 1 2 363.421 2.717 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000289236214 511095706 /nfs/dbraw/zinc/09/57/06/511095706.db2.gz OJMOKNUFOBVPDG-FGTMMUONSA-N 1 2 363.421 2.717 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000289283574 511097049 /nfs/dbraw/zinc/09/70/49/511097049.db2.gz GMBCNDGZCRQGFC-UHFFFAOYSA-N 1 2 373.888 2.508 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000289283574 511097052 /nfs/dbraw/zinc/09/70/52/511097052.db2.gz GMBCNDGZCRQGFC-UHFFFAOYSA-N 1 2 373.888 2.508 20 30 FFEDLO C=CCCCCCN(C)C(=O)C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000298053630 511158876 /nfs/dbraw/zinc/15/88/76/511158876.db2.gz XFXLBNPDEPADHS-UHFFFAOYSA-N 1 2 362.518 2.889 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCOCC[C@@H]2C)c1C#N ZINC000362474625 511199584 /nfs/dbraw/zinc/19/95/84/511199584.db2.gz SYOZAPZWMFXQTB-AWEZNQCLSA-N 1 2 370.453 2.667 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCOCC[C@@H]2C)c1C#N ZINC000362474625 511199586 /nfs/dbraw/zinc/19/95/86/511199586.db2.gz SYOZAPZWMFXQTB-AWEZNQCLSA-N 1 2 370.453 2.667 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000298281612 511233824 /nfs/dbraw/zinc/23/38/24/511233824.db2.gz AWVZBINMHFOZSK-CYBMUJFWSA-N 1 2 371.466 2.803 20 30 FFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(CC#N)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000333427564 511239592 /nfs/dbraw/zinc/23/95/92/511239592.db2.gz MZPCPEDVVWJSPM-CVEARBPZSA-N 1 2 367.902 2.698 20 30 FFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CC2(CC#N)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000333427564 511239597 /nfs/dbraw/zinc/23/95/97/511239597.db2.gz MZPCPEDVVWJSPM-CVEARBPZSA-N 1 2 367.902 2.698 20 30 FFEDLO N#Cc1ccc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)nc1Cl ZINC000283138496 511251894 /nfs/dbraw/zinc/25/18/94/511251894.db2.gz ULEQBILUVBTRCT-UHFFFAOYSA-N 1 2 356.813 2.691 20 30 FFEDLO CN(Cc1[nH+]ccn1C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000271667544 511281345 /nfs/dbraw/zinc/28/13/45/511281345.db2.gz FUMWOAWNAHIMMZ-UHFFFAOYSA-N 1 2 350.344 2.632 20 30 FFEDLO N#CCCCC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000291766366 511329538 /nfs/dbraw/zinc/32/95/38/511329538.db2.gz VGNUQGKVQDTKMK-MRXNPFEDSA-N 1 2 369.387 2.889 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291772989 511333476 /nfs/dbraw/zinc/33/34/76/511333476.db2.gz LUDJVDHALOOGDM-HXUWFJFHSA-N 1 2 369.852 2.786 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291772989 511333480 /nfs/dbraw/zinc/33/34/80/511333480.db2.gz LUDJVDHALOOGDM-HXUWFJFHSA-N 1 2 369.852 2.786 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)nc1 ZINC000272040151 511410240 /nfs/dbraw/zinc/41/02/40/511410240.db2.gz XTCGDOQSNPXVRV-UHFFFAOYSA-N 1 2 359.433 2.832 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280311087 511415806 /nfs/dbraw/zinc/41/58/06/511415806.db2.gz GIEJSIZTEXOSDV-UWJYYQICSA-N 1 2 371.481 2.592 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280311087 511415808 /nfs/dbraw/zinc/41/58/08/511415808.db2.gz GIEJSIZTEXOSDV-UWJYYQICSA-N 1 2 371.481 2.592 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280317707 511417998 /nfs/dbraw/zinc/41/79/98/511417998.db2.gz GNSWKQMNOKHSCP-FRQCXROJSA-N 1 2 364.511 2.531 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280317707 511418001 /nfs/dbraw/zinc/41/80/01/511418001.db2.gz GNSWKQMNOKHSCP-FRQCXROJSA-N 1 2 364.511 2.531 20 30 FFEDLO N#Cc1cccc(CS(=O)(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000298842801 511428120 /nfs/dbraw/zinc/42/81/20/511428120.db2.gz IICZKESYTIOILN-UHFFFAOYSA-N 1 2 370.478 2.563 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nc(-c4ccsc4)no3)C2)nc1 ZINC000292212551 511508385 /nfs/dbraw/zinc/50/83/85/511508385.db2.gz OMGCBGLMQWCIDY-CQSZACIVSA-N 1 2 353.407 2.718 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nc(-c4ccsc4)no3)C2)nc1 ZINC000292212551 511508389 /nfs/dbraw/zinc/50/83/89/511508389.db2.gz OMGCBGLMQWCIDY-CQSZACIVSA-N 1 2 353.407 2.718 20 30 FFEDLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292261746 511527754 /nfs/dbraw/zinc/52/77/54/511527754.db2.gz RMKOAMUDCAFVKO-DZGCQCFKSA-N 1 2 361.405 2.554 20 30 FFEDLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292261746 511527758 /nfs/dbraw/zinc/52/77/58/511527758.db2.gz RMKOAMUDCAFVKO-DZGCQCFKSA-N 1 2 361.405 2.554 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000365626758 511567256 /nfs/dbraw/zinc/56/72/56/511567256.db2.gz JLRONAPIDIAMQL-AWEZNQCLSA-N 1 2 357.845 2.763 20 30 FFEDLO N#Cc1nc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)ccc1Cl ZINC000280803450 511607949 /nfs/dbraw/zinc/60/79/49/511607949.db2.gz SEKOELYNNUWIJG-MSOLQXFVSA-N 1 2 354.841 2.696 20 30 FFEDLO N#Cc1nc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)ccc1Cl ZINC000280803450 511607952 /nfs/dbraw/zinc/60/79/52/511607952.db2.gz SEKOELYNNUWIJG-MSOLQXFVSA-N 1 2 354.841 2.696 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000280870323 511636279 /nfs/dbraw/zinc/63/62/79/511636279.db2.gz CJCOBXPHJNVQFO-OCCSQVGLSA-N 1 2 360.380 2.568 20 30 FFEDLO C=CCNC(=O)c1ccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)nc1 ZINC000301272424 511692783 /nfs/dbraw/zinc/69/27/83/511692783.db2.gz XXJVMOLHIGXRFO-UHFFFAOYSA-N 1 2 370.884 2.973 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCC(CS(C)(=O)=O)CC2)cc1OC ZINC000292772004 511714034 /nfs/dbraw/zinc/71/40/34/511714034.db2.gz KOFSKKUQHZUONM-UHFFFAOYSA-N 1 2 353.484 2.517 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)/C=C/c2ccc(OCC#N)cc2)CC1(C)C ZINC000296441566 511744510 /nfs/dbraw/zinc/74/45/10/511744510.db2.gz YVEDTBPRLJIJLX-AHKGRUIUSA-N 1 2 350.422 2.945 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1=O ZINC000281235212 511769978 /nfs/dbraw/zinc/76/99/78/511769978.db2.gz FRPFGSFNZNQMDL-BBRMVZONSA-N 1 2 358.417 2.964 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1=O ZINC000281235212 511769981 /nfs/dbraw/zinc/76/99/81/511769981.db2.gz FRPFGSFNZNQMDL-BBRMVZONSA-N 1 2 358.417 2.964 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(Cc2ccco2)c2ccccc2)C1=O ZINC000281258830 511778664 /nfs/dbraw/zinc/77/86/64/511778664.db2.gz HJCJGQJGXNSZAJ-LJQANCHMSA-N 1 2 367.449 2.532 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(Cc2ccco2)c2ccccc2)C1=O ZINC000281258830 511778668 /nfs/dbraw/zinc/77/86/68/511778668.db2.gz HJCJGQJGXNSZAJ-LJQANCHMSA-N 1 2 367.449 2.532 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296531041 511783833 /nfs/dbraw/zinc/78/38/33/511783833.db2.gz UQSIGBFCMBRBNB-QGZVFWFLSA-N 1 2 352.438 2.725 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2c[nH]nc2-c2ccc(C)cc2)n1 ZINC000366033208 511798742 /nfs/dbraw/zinc/79/87/42/511798742.db2.gz YVUIJGMAUAOJDE-UHFFFAOYSA-N 1 2 363.465 2.863 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2c[nH]nc2-c2ccc(C)cc2)n1 ZINC000366033208 511798744 /nfs/dbraw/zinc/79/87/44/511798744.db2.gz YVUIJGMAUAOJDE-UHFFFAOYSA-N 1 2 363.465 2.863 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)C1=O ZINC000281370430 511820957 /nfs/dbraw/zinc/82/09/57/511820957.db2.gz OMQRMYJDHMVTKX-CVEARBPZSA-N 1 2 354.372 2.866 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)C1=O ZINC000281370430 511820960 /nfs/dbraw/zinc/82/09/60/511820960.db2.gz OMQRMYJDHMVTKX-CVEARBPZSA-N 1 2 354.372 2.866 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)C1=O ZINC000281412246 511838293 /nfs/dbraw/zinc/83/82/93/511838293.db2.gz RFBDDQKPKRNPFP-ZOBUZTSGSA-N 1 2 369.465 2.717 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)C1=O ZINC000281412246 511838296 /nfs/dbraw/zinc/83/82/96/511838296.db2.gz RFBDDQKPKRNPFP-ZOBUZTSGSA-N 1 2 369.465 2.717 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c(Br)c1 ZINC000284833847 511890717 /nfs/dbraw/zinc/89/07/17/511890717.db2.gz PETWFFSIOGUROC-UAGQMJEPSA-N 1 2 365.271 2.683 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c(Br)c1 ZINC000284833847 511890719 /nfs/dbraw/zinc/89/07/19/511890719.db2.gz PETWFFSIOGUROC-UAGQMJEPSA-N 1 2 365.271 2.683 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c(F)ccc(F)c3F)CC2)cc1 ZINC000274639603 511896217 /nfs/dbraw/zinc/89/62/17/511896217.db2.gz YOZMXVOIPIGFKS-UHFFFAOYSA-N 1 2 359.351 2.934 20 30 FFEDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)NC[C@@H]1CCCO1)CC2 ZINC000328646677 511905743 /nfs/dbraw/zinc/90/57/43/511905743.db2.gz SUJMOGYQYBAQOE-LSDHHAIUSA-N 1 2 364.515 2.522 20 30 FFEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)NC[C@@H]1CCCO1)CC2 ZINC000328646677 511905746 /nfs/dbraw/zinc/90/57/46/511905746.db2.gz SUJMOGYQYBAQOE-LSDHHAIUSA-N 1 2 364.515 2.522 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)N1CCOCC1 ZINC000328782733 511931420 /nfs/dbraw/zinc/93/14/20/511931420.db2.gz GFLWZNKCEVJCDK-BBWFWOEESA-N 1 2 361.486 2.605 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N1CCOCC1 ZINC000328782733 511931424 /nfs/dbraw/zinc/93/14/24/511931424.db2.gz GFLWZNKCEVJCDK-BBWFWOEESA-N 1 2 361.486 2.605 20 30 FFEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000328824736 511937795 /nfs/dbraw/zinc/93/77/95/511937795.db2.gz ISUPYAJQHZDBLH-CGTJXYLNSA-N 1 2 358.486 2.613 20 30 FFEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2CCO[C@H]2C2CC2)C[C@@H](C)O1 ZINC000328850799 511940300 /nfs/dbraw/zinc/94/03/00/511940300.db2.gz UTKSNKAQCDKRNF-IONDEXAJSA-N 1 2 373.497 2.998 20 30 FFEDLO O=C(Nc1ccccc1O)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000328899592 511947943 /nfs/dbraw/zinc/94/79/43/511947943.db2.gz YZWLWWRVVOUZMN-OAHLLOKOSA-N 1 2 368.437 2.678 20 30 FFEDLO O=C(C[N@@H+]1CCOCC12CCCC2)NCc1cnn(-c2ccccc2)c1 ZINC000328933025 511952644 /nfs/dbraw/zinc/95/26/44/511952644.db2.gz PMHPYFIOGFSSSO-UHFFFAOYSA-N 1 2 354.454 2.974 20 30 FFEDLO O=C(C[N@H+]1CCOCC12CCCC2)NCc1cnn(-c2ccccc2)c1 ZINC000328933025 511952651 /nfs/dbraw/zinc/95/26/51/511952651.db2.gz PMHPYFIOGFSSSO-UHFFFAOYSA-N 1 2 354.454 2.974 20 30 FFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000274834867 511956530 /nfs/dbraw/zinc/95/65/30/511956530.db2.gz DBAMJYUCVBZMJO-LBPRGKRZSA-N 1 2 350.831 2.503 20 30 FFEDLO O=C(NCCOc1cncc(Cl)c1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329071414 511977639 /nfs/dbraw/zinc/97/76/39/511977639.db2.gz NULQCEQNSXZHPH-INIZCTEOSA-N 1 2 353.850 2.714 20 30 FFEDLO O=C(NCCOc1cncc(Cl)c1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329071414 511977645 /nfs/dbraw/zinc/97/76/45/511977645.db2.gz NULQCEQNSXZHPH-INIZCTEOSA-N 1 2 353.850 2.714 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1cnc3c(c1)NC(=O)CO3)C2 ZINC000329118764 511986861 /nfs/dbraw/zinc/98/68/61/511986861.db2.gz ORFHSQORMDCLLY-GFCCVEGCSA-N 1 2 369.425 2.876 20 30 FFEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cc(F)ccc3OCC3CC3)C[C@@H]21 ZINC000329121221 511987169 /nfs/dbraw/zinc/98/71/69/511987169.db2.gz KKPATNNURFCARE-FUHWJXTLSA-N 1 2 363.433 2.565 20 30 FFEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cc(F)ccc3OCC3CC3)C[C@@H]21 ZINC000329121221 511987170 /nfs/dbraw/zinc/98/71/70/511987170.db2.gz KKPATNNURFCARE-FUHWJXTLSA-N 1 2 363.433 2.565 20 30 FFEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366392641 511997678 /nfs/dbraw/zinc/99/76/78/511997678.db2.gz AJEUAIGQQMMMNA-UKRRQHHQSA-N 1 2 361.405 2.816 20 30 FFEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366392641 511997685 /nfs/dbraw/zinc/99/76/85/511997685.db2.gz AJEUAIGQQMMMNA-UKRRQHHQSA-N 1 2 361.405 2.816 20 30 FFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000329208759 512005548 /nfs/dbraw/zinc/00/55/48/512005548.db2.gz YUENAFRDXIKQGJ-CHWSQXEVSA-N 1 2 352.504 2.781 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000281907451 512007957 /nfs/dbraw/zinc/00/79/57/512007957.db2.gz VHOBXXUGVCMIRI-MAUKXSAKSA-N 1 2 358.417 2.792 20 30 FFEDLO Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000329584008 512073159 /nfs/dbraw/zinc/07/31/59/512073159.db2.gz VYUMCSNZJVLWIF-OAHLLOKOSA-N 1 2 371.441 2.579 20 30 FFEDLO Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000329584008 512073168 /nfs/dbraw/zinc/07/31/68/512073168.db2.gz VYUMCSNZJVLWIF-OAHLLOKOSA-N 1 2 371.441 2.579 20 30 FFEDLO Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1CCC(c3ccc(C)[nH+]c3)CC1)CC2 ZINC000329682853 512086462 /nfs/dbraw/zinc/08/64/62/512086462.db2.gz YUNSSMLLKPQORB-INIZCTEOSA-N 1 2 368.485 2.646 20 30 FFEDLO O=C(N[C@@H]1CC[C@H](F)C1)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000329716154 512090149 /nfs/dbraw/zinc/09/01/49/512090149.db2.gz WBBIJPXXLPHHFX-XHSDSOJGSA-N 1 2 362.449 2.940 20 30 FFEDLO CCc1nc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)sc1C ZINC000329733226 512092586 /nfs/dbraw/zinc/09/25/86/512092586.db2.gz QRQOELSMVQPESR-AWEZNQCLSA-N 1 2 364.515 2.936 20 30 FFEDLO CCc1nc(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)sc1C ZINC000329733226 512092587 /nfs/dbraw/zinc/09/25/87/512092587.db2.gz QRQOELSMVQPESR-AWEZNQCLSA-N 1 2 364.515 2.936 20 30 FFEDLO COc1ccc([C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)c2[nH+]ccn2C)cc1 ZINC000329779252 512096796 /nfs/dbraw/zinc/09/67/96/512096796.db2.gz LUJQPXCIJMAVNL-XOYOTBSWSA-N 1 2 371.437 2.526 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC000329894566 512105730 /nfs/dbraw/zinc/10/57/30/512105730.db2.gz BJJRSPGIIKNCBK-KJEVXHAQSA-N 1 2 366.437 2.915 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC000329894566 512105732 /nfs/dbraw/zinc/10/57/32/512105732.db2.gz BJJRSPGIIKNCBK-KJEVXHAQSA-N 1 2 366.437 2.915 20 30 FFEDLO C[C@@H]1CCCC[C@H]1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000329901400 512106083 /nfs/dbraw/zinc/10/60/83/512106083.db2.gz GXBQNHGAEMABOW-LAVFITLUSA-N 1 2 365.497 2.757 20 30 FFEDLO C[C@@H]1CCCC[C@H]1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000329901400 512106084 /nfs/dbraw/zinc/10/60/84/512106084.db2.gz GXBQNHGAEMABOW-LAVFITLUSA-N 1 2 365.497 2.757 20 30 FFEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377972749 512533080 /nfs/dbraw/zinc/53/30/80/512533080.db2.gz WJUWHLQDAHUEBY-OAHLLOKOSA-N 1 2 366.465 2.874 20 30 FFEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377972749 512533082 /nfs/dbraw/zinc/53/30/82/512533082.db2.gz WJUWHLQDAHUEBY-OAHLLOKOSA-N 1 2 366.465 2.874 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)CSCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000371703875 512535449 /nfs/dbraw/zinc/53/54/49/512535449.db2.gz QKIJYZPZLDOGFA-XJKSGUPXSA-N 1 2 357.401 2.612 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)CSCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000371703875 512535454 /nfs/dbraw/zinc/53/54/54/512535454.db2.gz QKIJYZPZLDOGFA-XJKSGUPXSA-N 1 2 357.401 2.612 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000375931363 512575899 /nfs/dbraw/zinc/57/58/99/512575899.db2.gz IQXQWRIOOUVJTC-LBPRGKRZSA-N 1 2 364.858 2.513 20 30 FFEDLO C[C@H](OC(=O)C1CC[NH+](Cc2nccn2C)CC1)c1ccc(C#N)cc1 ZINC000371868950 512611081 /nfs/dbraw/zinc/61/10/81/512611081.db2.gz YYKMATWETGWHHW-HNNXBMFYSA-N 1 2 352.438 2.808 20 30 FFEDLO N#Cc1cccnc1-n1cc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000372059180 512697956 /nfs/dbraw/zinc/69/79/56/512697956.db2.gz ZDVVSXMYLSJQRU-UHFFFAOYSA-N 1 2 369.388 2.636 20 30 FFEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368114025 512807521 /nfs/dbraw/zinc/80/75/21/512807521.db2.gz VCODUUAWGCCRRK-GOSISDBHSA-N 1 2 357.417 2.884 20 30 FFEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368114025 512807527 /nfs/dbraw/zinc/80/75/27/512807527.db2.gz VCODUUAWGCCRRK-GOSISDBHSA-N 1 2 357.417 2.884 20 30 FFEDLO Cc1cn2c([nH+]1)CN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)CC2 ZINC000374702108 512962833 /nfs/dbraw/zinc/96/28/33/512962833.db2.gz ZZEFLUAGXUUBOF-CQSZACIVSA-N 1 2 369.494 2.898 20 30 FFEDLO N#Cc1nc(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[nH]c1C#N ZINC000368593793 513015846 /nfs/dbraw/zinc/01/58/46/513015846.db2.gz UOEVHAFRGMSZTP-CYBMUJFWSA-N 1 2 363.425 2.598 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)o1 ZINC000374814387 513016876 /nfs/dbraw/zinc/01/68/76/513016876.db2.gz AJSQAMCAEZYSHF-SFHVURJKSA-N 1 2 371.462 2.508 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)o1 ZINC000374814387 513016881 /nfs/dbraw/zinc/01/68/81/513016881.db2.gz AJSQAMCAEZYSHF-SFHVURJKSA-N 1 2 371.462 2.508 20 30 FFEDLO C=CCNc1ncc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)s1 ZINC000370742783 513080428 /nfs/dbraw/zinc/08/04/28/513080428.db2.gz YFXJSDJGIGWGRJ-OAHLLOKOSA-N 1 2 371.441 2.555 20 30 FFEDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000445988992 513160162 /nfs/dbraw/zinc/16/01/62/513160162.db2.gz RGAGABIIOCSVJR-INIZCTEOSA-N 1 2 354.372 2.783 20 30 FFEDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000445988992 513160165 /nfs/dbraw/zinc/16/01/65/513160165.db2.gz RGAGABIIOCSVJR-INIZCTEOSA-N 1 2 354.372 2.783 20 30 FFEDLO COC(=O)c1cc(F)ccc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428782160 513188656 /nfs/dbraw/zinc/18/86/56/513188656.db2.gz HWMNKNBQFARVBX-MRXNPFEDSA-N 1 2 355.369 2.532 20 30 FFEDLO COC(=O)c1cc(F)ccc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428782160 513188659 /nfs/dbraw/zinc/18/86/59/513188659.db2.gz HWMNKNBQFARVBX-MRXNPFEDSA-N 1 2 355.369 2.532 20 30 FFEDLO C=CCCn1cc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)nn1 ZINC000424595806 513197617 /nfs/dbraw/zinc/19/76/17/513197617.db2.gz GBSWFMQKHOKTGC-HZPDHXFCSA-N 1 2 369.469 2.716 20 30 FFEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)no1 ZINC000450467801 513208283 /nfs/dbraw/zinc/20/82/83/513208283.db2.gz LYZQZJHJQYVNPV-OAHLLOKOSA-N 1 2 370.413 2.649 20 30 FFEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)no1 ZINC000450467801 513208289 /nfs/dbraw/zinc/20/82/89/513208289.db2.gz LYZQZJHJQYVNPV-OAHLLOKOSA-N 1 2 370.413 2.649 20 30 FFEDLO N#CC1(NC(=O)CCCC(=O)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000450669137 513297876 /nfs/dbraw/zinc/29/78/76/513297876.db2.gz AQIVPKZHRSBBQY-UHFFFAOYSA-N 1 2 353.466 2.810 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429266764 513321166 /nfs/dbraw/zinc/32/11/66/513321166.db2.gz YFTDMZKMEHJMFW-GQIGUUNPSA-N 1 2 360.477 2.779 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429266764 513321171 /nfs/dbraw/zinc/32/11/71/513321171.db2.gz YFTDMZKMEHJMFW-GQIGUUNPSA-N 1 2 360.477 2.779 20 30 FFEDLO C[C@H]1Cc2ccccc2N1C(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000440624940 513366763 /nfs/dbraw/zinc/36/67/63/513366763.db2.gz JTCGZPOQMLRTQH-PGRDOPGGSA-N 1 2 374.488 2.847 20 30 FFEDLO Cc1cc(NC[C@H](CO)Cc2ccccc2OC(F)(F)F)c(C#N)c[nH+]1 ZINC000425227273 513461669 /nfs/dbraw/zinc/46/16/69/513461669.db2.gz IRKKBGLPFXUCEV-CYBMUJFWSA-N 1 2 365.355 2.845 20 30 FFEDLO Cc1cc(C)cc(OCC(=O)N2CCN(c3cc(C)[nH+]cc3C#N)CC2)c1 ZINC000425227153 513462659 /nfs/dbraw/zinc/46/26/59/513462659.db2.gz AKIIJBPJLLGYDI-UHFFFAOYSA-N 1 2 364.449 2.606 20 30 FFEDLO C=CCNC(=O)NC(=O)C[NH2+]C1(c2c(Cl)cccc2Cl)CCC1 ZINC000447391399 513464608 /nfs/dbraw/zinc/46/46/08/513464608.db2.gz JPWBJALPCOHYDK-UHFFFAOYSA-N 1 2 356.253 2.974 20 30 FFEDLO CCOC(=O)[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)Cc2ccccc21 ZINC000441123755 513492631 /nfs/dbraw/zinc/49/26/31/513492631.db2.gz KIRCNGMVTBLKKT-IBGZPJMESA-N 1 2 363.417 2.659 20 30 FFEDLO CCOC(=O)[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)Cc2ccccc21 ZINC000441123755 513492636 /nfs/dbraw/zinc/49/26/36/513492636.db2.gz KIRCNGMVTBLKKT-IBGZPJMESA-N 1 2 363.417 2.659 20 30 FFEDLO N#C[C@H]1CC[C@@H](NC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000425443268 513569051 /nfs/dbraw/zinc/56/90/51/513569051.db2.gz LMMOXCRYJNAZPR-ZNMIVQPWSA-N 1 2 362.424 2.921 20 30 FFEDLO N#C[C@H]1CC[C@@H](NC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000425443268 513569055 /nfs/dbraw/zinc/56/90/55/513569055.db2.gz LMMOXCRYJNAZPR-ZNMIVQPWSA-N 1 2 362.424 2.921 20 30 FFEDLO Cc1c(C#N)cccc1NC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000441621486 513600821 /nfs/dbraw/zinc/60/08/21/513600821.db2.gz OJUXNHRXQOJPJL-FQEVSTJZSA-N 1 2 372.469 2.794 20 30 FFEDLO CC(C)([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nnc2n1CCCC2 ZINC000451400317 513723181 /nfs/dbraw/zinc/72/31/81/513723181.db2.gz ALYWVWSJNKIRNQ-UHFFFAOYSA-N 1 2 372.860 2.603 20 30 FFEDLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000451408245 513728916 /nfs/dbraw/zinc/72/89/16/513728916.db2.gz NHHDIDNVKJHCNC-OCCSQVGLSA-N 1 2 360.401 2.995 20 30 FFEDLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000451408245 513728920 /nfs/dbraw/zinc/72/89/20/513728920.db2.gz NHHDIDNVKJHCNC-OCCSQVGLSA-N 1 2 360.401 2.995 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451425973 513743427 /nfs/dbraw/zinc/74/34/27/513743427.db2.gz HQYYHBRGXJQFLR-YVEFUNNKSA-N 1 2 369.437 2.721 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451425973 513743434 /nfs/dbraw/zinc/74/34/34/513743434.db2.gz HQYYHBRGXJQFLR-YVEFUNNKSA-N 1 2 369.437 2.721 20 30 FFEDLO COC1(C(F)(F)F)CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000419330928 513780437 /nfs/dbraw/zinc/78/04/37/513780437.db2.gz PYNOCJNMKFHSAO-LBPRGKRZSA-N 1 2 355.360 2.929 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000451762312 513963973 /nfs/dbraw/zinc/96/39/73/513963973.db2.gz WRIRQBQAVAEJGE-IZHWHUGBSA-N 1 2 368.568 2.884 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000451762312 513963980 /nfs/dbraw/zinc/96/39/80/513963980.db2.gz WRIRQBQAVAEJGE-IZHWHUGBSA-N 1 2 368.568 2.884 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(NC(=O)c2ccccc2)c1 ZINC000414118515 513980552 /nfs/dbraw/zinc/98/05/52/513980552.db2.gz AYGZLTHGQVAMGU-GOSISDBHSA-N 1 2 353.422 2.524 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(NC(=O)c2ccccc2)c1 ZINC000414118515 513980556 /nfs/dbraw/zinc/98/05/56/513980556.db2.gz AYGZLTHGQVAMGU-GOSISDBHSA-N 1 2 353.422 2.524 20 30 FFEDLO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000432289538 514149575 /nfs/dbraw/zinc/14/95/75/514149575.db2.gz PUKAOYNGQAFOOU-KRWDZBQOSA-N 1 2 352.419 2.691 20 30 FFEDLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000432300249 514152537 /nfs/dbraw/zinc/15/25/37/514152537.db2.gz DSJOHXLPJSZLJG-QGZVFWFLSA-N 1 2 370.409 2.831 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cscc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000432394983 514181483 /nfs/dbraw/zinc/18/14/83/514181483.db2.gz MMOWGNMLKDVEMF-BETUJISGSA-N 1 2 356.451 2.558 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCC(C(=O)OCC)([S@](C)=O)CC2)cc1 ZINC000449408409 514199013 /nfs/dbraw/zinc/19/90/13/514199013.db2.gz JUNGOFIUGWOAJS-VWLOTQADSA-N 1 2 365.495 2.528 20 30 FFEDLO Cn1c(C#N)ccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450232579 514555532 /nfs/dbraw/zinc/55/55/32/514555532.db2.gz MHWQYUPRWKAVHH-WBVHZDCISA-N 1 2 360.820 2.864 20 30 FFEDLO Cn1c(C#N)ccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450232579 514555541 /nfs/dbraw/zinc/55/55/41/514555541.db2.gz MHWQYUPRWKAVHH-WBVHZDCISA-N 1 2 360.820 2.864 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000461470746 514632552 /nfs/dbraw/zinc/63/25/52/514632552.db2.gz YDZUGISRPRGRJP-HNNXBMFYSA-N 1 2 360.417 2.524 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)NCCOc3ccccc3)CC2)cc1 ZINC000502530893 514683540 /nfs/dbraw/zinc/68/35/40/514683540.db2.gz SKVHCSAVLFHIKL-UHFFFAOYSA-N 1 2 361.445 2.843 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NCCOc3ccccc3)CC2)cc1 ZINC000502530893 514683547 /nfs/dbraw/zinc/68/35/47/514683547.db2.gz SKVHCSAVLFHIKL-UHFFFAOYSA-N 1 2 361.445 2.843 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)[C@@H]1C ZINC000471148900 514769546 /nfs/dbraw/zinc/76/95/46/514769546.db2.gz WWFOLERLGFMMMC-RMVXJAJNSA-N 1 2 368.525 2.810 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000471187724 514789395 /nfs/dbraw/zinc/78/93/95/514789395.db2.gz NDSBLRJSWHDVBU-UHFFFAOYSA-N 1 2 352.482 2.781 20 30 FFEDLO N#C[C@@H]1CCC[C@H]1NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000461956991 514806138 /nfs/dbraw/zinc/80/61/38/514806138.db2.gz JFRUAYNJZRWXDK-GXFFZTMASA-N 1 2 362.231 2.588 20 30 FFEDLO C=CC[N@@H+](Cc1nc([C@H](C)OC)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000475879673 514840601 /nfs/dbraw/zinc/84/06/01/514840601.db2.gz JBMBVHRIFFPXGV-KGLIPLIRSA-N 1 2 369.429 2.502 20 30 FFEDLO C=CC[N@H+](Cc1nc([C@H](C)OC)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000475879673 514840610 /nfs/dbraw/zinc/84/06/10/514840610.db2.gz JBMBVHRIFFPXGV-KGLIPLIRSA-N 1 2 369.429 2.502 20 30 FFEDLO C=C(C)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000458619794 514960779 /nfs/dbraw/zinc/96/07/79/514960779.db2.gz SOQMFXAJQQQTED-IRXDYDNUSA-N 1 2 351.878 2.977 20 30 FFEDLO C=C(C)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000458619794 514960786 /nfs/dbraw/zinc/96/07/86/514960786.db2.gz SOQMFXAJQQQTED-IRXDYDNUSA-N 1 2 351.878 2.977 20 30 FFEDLO COCC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccnn1C ZINC000489843026 514997397 /nfs/dbraw/zinc/99/73/97/514997397.db2.gz JXABMIKQODTWJB-UHFFFAOYSA-N 1 2 367.371 2.819 20 30 FFEDLO COCC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccnn1C ZINC000489843026 514997400 /nfs/dbraw/zinc/99/74/00/514997400.db2.gz JXABMIKQODTWJB-UHFFFAOYSA-N 1 2 367.371 2.819 20 30 FFEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3cscc3C#N)c2)CC1 ZINC000504168474 515235677 /nfs/dbraw/zinc/23/56/77/515235677.db2.gz KVJGNYRROXVZDA-UHFFFAOYSA-N 1 2 368.462 2.536 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000499272048 515265654 /nfs/dbraw/zinc/26/56/54/515265654.db2.gz GEMIWTUSCUBBHG-RTBURBONSA-N 1 2 371.481 2.568 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000499272048 515265663 /nfs/dbraw/zinc/26/56/63/515265663.db2.gz GEMIWTUSCUBBHG-RTBURBONSA-N 1 2 371.481 2.568 20 30 FFEDLO Cc1nc(C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)ccc1C#N ZINC000472583438 515323378 /nfs/dbraw/zinc/32/33/78/515323378.db2.gz UQCSUPMMEZUOBM-GJZGRUSLSA-N 1 2 358.442 2.666 20 30 FFEDLO Cc1nc(C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)ccc1C#N ZINC000472583438 515323388 /nfs/dbraw/zinc/32/33/88/515323388.db2.gz UQCSUPMMEZUOBM-GJZGRUSLSA-N 1 2 358.442 2.666 20 30 FFEDLO C=CCC[C@@H](CO)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000454279305 515361801 /nfs/dbraw/zinc/36/18/01/515361801.db2.gz PBGQIWSNYNWGTF-KBPBESRZSA-N 1 2 352.504 2.824 20 30 FFEDLO C=CCC[C@@H](CO)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000454279305 515361816 /nfs/dbraw/zinc/36/18/16/515361816.db2.gz PBGQIWSNYNWGTF-KBPBESRZSA-N 1 2 352.504 2.824 20 30 FFEDLO C[C@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000472778717 515394251 /nfs/dbraw/zinc/39/42/51/515394251.db2.gz ZJLMLYPRUJHSEZ-MRXNPFEDSA-N 1 2 357.479 2.838 20 30 FFEDLO Cc1cc(N2CCN(C(=O)NCC(C)(C)CC#N)CC2)nc(C(C)C)[nH+]1 ZINC000459239168 515416272 /nfs/dbraw/zinc/41/62/72/515416272.db2.gz UHLJCLWXHLCCNJ-UHFFFAOYSA-N 1 2 358.490 2.680 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCC(C)(C)CC#N ZINC000459257787 515429511 /nfs/dbraw/zinc/42/95/11/515429511.db2.gz KOIGOURLECYWJI-SFHVURJKSA-N 1 2 372.513 2.859 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000510102198 515434168 /nfs/dbraw/zinc/43/41/68/515434168.db2.gz DRMGICKLOHNVNV-IBGZPJMESA-N 1 2 373.460 2.581 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H](OC)C[C@H]2CC(=O)OCC)c1C ZINC000481719432 515436708 /nfs/dbraw/zinc/43/67/08/515436708.db2.gz CEXQMXUOLSIGDR-IRXDYDNUSA-N 1 2 362.470 2.516 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H](OC)C[C@H]2CC(=O)OCC)c1C ZINC000481719432 515436717 /nfs/dbraw/zinc/43/67/17/515436717.db2.gz CEXQMXUOLSIGDR-IRXDYDNUSA-N 1 2 362.470 2.516 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CC[C@@H](C)Sc3ccccc32)C1=O ZINC000499993562 515550370 /nfs/dbraw/zinc/55/03/70/515550370.db2.gz ANNVSTJUTKVZGW-NVXWUHKLSA-N 1 2 373.522 2.623 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N2CC[C@@H](C)Sc3ccccc32)C1=O ZINC000499993562 515550378 /nfs/dbraw/zinc/55/03/78/515550378.db2.gz ANNVSTJUTKVZGW-NVXWUHKLSA-N 1 2 373.522 2.623 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](c2cccs2)C(C)(C)C)C1=O ZINC000500017305 515560321 /nfs/dbraw/zinc/56/03/21/515560321.db2.gz UIZIPAGHGCCGOO-PBHICJAKSA-N 1 2 363.527 2.670 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](c2cccs2)C(C)(C)C)C1=O ZINC000500017305 515560331 /nfs/dbraw/zinc/56/03/31/515560331.db2.gz UIZIPAGHGCCGOO-PBHICJAKSA-N 1 2 363.527 2.670 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000454537435 515561405 /nfs/dbraw/zinc/56/14/05/515561405.db2.gz GYOWJVVHTWKDTF-OCCSQVGLSA-N 1 2 359.227 2.589 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000454537434 515561831 /nfs/dbraw/zinc/56/18/31/515561831.db2.gz GYOWJVVHTWKDTF-JSGCOSHPSA-N 1 2 359.227 2.589 20 30 FFEDLO Cc1cc(C(=O)NCc2cn3ccccc3[nH+]2)nn1-c1cccc(C#N)c1 ZINC000505753538 515656674 /nfs/dbraw/zinc/65/66/74/515656674.db2.gz UWPQXKQMCBJPJJ-UHFFFAOYSA-N 1 2 356.389 2.630 20 30 FFEDLO COCCCOC1C[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000459590185 515674296 /nfs/dbraw/zinc/67/42/96/515674296.db2.gz JOTOCVUKQAEHJG-UHFFFAOYSA-N 1 2 354.454 2.701 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(C#N)c1C ZINC000511066544 515762615 /nfs/dbraw/zinc/76/26/15/515762615.db2.gz RYMFOPXNRYWGCN-UHFFFAOYSA-N 1 2 356.382 2.789 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(C#N)c1C ZINC000511066544 515762622 /nfs/dbraw/zinc/76/26/22/515762622.db2.gz RYMFOPXNRYWGCN-UHFFFAOYSA-N 1 2 356.382 2.789 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+](CCO)Cc1cccc(F)c1)c1ccccc1 ZINC000494283661 515795880 /nfs/dbraw/zinc/79/58/80/515795880.db2.gz XVSVXOXSIMJGES-UHFFFAOYSA-N 1 2 355.413 2.567 20 30 FFEDLO N#CCCN(C(=O)C[N@H+](CCO)Cc1cccc(F)c1)c1ccccc1 ZINC000494283661 515795883 /nfs/dbraw/zinc/79/58/83/515795883.db2.gz XVSVXOXSIMJGES-UHFFFAOYSA-N 1 2 355.413 2.567 20 30 FFEDLO C[C@@H](CC(F)(F)F)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000464393383 515808313 /nfs/dbraw/zinc/80/83/13/515808313.db2.gz OZZSFWREYIXAQM-ZDUSSCGKSA-N 1 2 354.376 2.726 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000469451095 515824037 /nfs/dbraw/zinc/82/40/37/515824037.db2.gz XULRPAXIBZYLLZ-MRXNPFEDSA-N 1 2 355.388 2.942 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000469451095 515824044 /nfs/dbraw/zinc/82/40/44/515824044.db2.gz XULRPAXIBZYLLZ-MRXNPFEDSA-N 1 2 355.388 2.942 20 30 FFEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000469606637 515887128 /nfs/dbraw/zinc/88/71/28/515887128.db2.gz IGVPFDKEBOJZGH-CVEARBPZSA-N 1 2 374.916 2.970 20 30 FFEDLO N#CCCCC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000464641277 515904997 /nfs/dbraw/zinc/90/49/97/515904997.db2.gz XRYSTVTTWHEAGS-UHFFFAOYSA-N 1 2 365.231 2.961 20 30 FFEDLO N#Cc1ccc([C@H]([NH2+]Cc2c(F)cccc2N2CCCC2)C(N)=O)cc1 ZINC000506625570 515935370 /nfs/dbraw/zinc/93/53/70/515935370.db2.gz UAISHCUFRAXCOW-IBGZPJMESA-N 1 2 352.413 2.614 20 30 FFEDLO C[C@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000494781571 515961256 /nfs/dbraw/zinc/96/12/56/515961256.db2.gz HWPDAXKMGYTELB-RYUDHWBXSA-N 1 2 372.498 2.695 20 30 FFEDLO CC#CCCNC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000483287970 516018252 /nfs/dbraw/zinc/01/82/52/516018252.db2.gz YVZRFCJLOYXART-WBVHZDCISA-N 1 2 353.388 2.952 20 30 FFEDLO CC#CCCNC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000483287970 516018260 /nfs/dbraw/zinc/01/82/60/516018260.db2.gz YVZRFCJLOYXART-WBVHZDCISA-N 1 2 353.388 2.952 20 30 FFEDLO Cc1[nH+]c2ccc(C(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)cc2n1C ZINC000474423322 516040102 /nfs/dbraw/zinc/04/01/02/516040102.db2.gz YXUPXPSDJKRRFJ-OAQYLSRUSA-N 1 2 373.460 2.904 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)N(C)CC(C)(C)C#N)[NH+]2CCOCC2)c1 ZINC000457676709 516062484 /nfs/dbraw/zinc/06/24/84/516062484.db2.gz FSFYMYBIGIVGIN-SFHVURJKSA-N 1 2 358.486 2.560 20 30 FFEDLO CC(C)N(C(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1)C(C)C ZINC000507177677 516112549 /nfs/dbraw/zinc/11/25/49/516112549.db2.gz GREAPFCNFPCOSO-MRXNPFEDSA-N 1 2 360.477 2.853 20 30 FFEDLO C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@H](CO)O1 ZINC000470135862 516136310 /nfs/dbraw/zinc/13/63/10/516136310.db2.gz WIMDTLMLEXAQRY-HRAATJIYSA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@H](CO)O1 ZINC000470135862 516136319 /nfs/dbraw/zinc/13/63/19/516136319.db2.gz WIMDTLMLEXAQRY-HRAATJIYSA-N 1 2 352.434 2.719 20 30 FFEDLO COc1cc(Br)ccc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000488164056 516141017 /nfs/dbraw/zinc/14/10/17/516141017.db2.gz JUQVRCOZZWORBP-MRXNPFEDSA-N 1 2 374.238 2.646 20 30 FFEDLO N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)c1 ZINC000483624247 516150410 /nfs/dbraw/zinc/15/04/10/516150410.db2.gz ZRRFANNRWFEPRU-UHFFFAOYSA-N 1 2 373.416 2.697 20 30 FFEDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507303433 516165804 /nfs/dbraw/zinc/16/58/04/516165804.db2.gz IXRZYIOHOMEKSU-UHFFFAOYSA-N 1 2 352.394 2.797 20 30 FFEDLO N#CCCCCNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000507330378 516174911 /nfs/dbraw/zinc/17/49/11/516174911.db2.gz ATCNGDNWPNMPHM-UHFFFAOYSA-N 1 2 350.220 2.590 20 30 FFEDLO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000460594162 516198888 /nfs/dbraw/zinc/19/88/88/516198888.db2.gz DXXDIZOFCZMDOT-SFHVURJKSA-N 1 2 352.434 2.678 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(CO)o1 ZINC000512216572 516201033 /nfs/dbraw/zinc/20/10/33/516201033.db2.gz BJOZXGIHJALJFC-UHFFFAOYSA-N 1 2 359.382 2.697 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(CO)o1 ZINC000512216572 516201040 /nfs/dbraw/zinc/20/10/40/516201040.db2.gz BJOZXGIHJALJFC-UHFFFAOYSA-N 1 2 359.382 2.697 20 30 FFEDLO C=C(C)COCCNC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000474809336 516201675 /nfs/dbraw/zinc/20/16/75/516201675.db2.gz ILEBEJGSVAWSLQ-UHFFFAOYSA-N 1 2 351.878 2.760 20 30 FFEDLO C=CCn1cccc1C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000488545660 516254982 /nfs/dbraw/zinc/25/49/82/516254982.db2.gz CQEBQDQMYRACRC-UHFFFAOYSA-N 1 2 353.470 2.858 20 30 FFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000512521875 516300209 /nfs/dbraw/zinc/30/02/09/516300209.db2.gz LETJXBAURGHZTJ-GOSISDBHSA-N 1 2 370.501 2.690 20 30 FFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000512521875 516300214 /nfs/dbraw/zinc/30/02/14/516300214.db2.gz LETJXBAURGHZTJ-GOSISDBHSA-N 1 2 370.501 2.690 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCO[C@H](c3cccc(Br)c3)C2)CC1 ZINC000528363239 516379614 /nfs/dbraw/zinc/37/96/14/516379614.db2.gz CUYOPOBAPAENKD-CVEARBPZSA-N 1 2 365.271 2.877 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCO[C@H](c3cccc(Br)c3)C2)CC1 ZINC000528363239 516379625 /nfs/dbraw/zinc/37/96/25/516379625.db2.gz CUYOPOBAPAENKD-CVEARBPZSA-N 1 2 365.271 2.877 20 30 FFEDLO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccc3[nH+]ccn3c2)n1 ZINC000543870426 516472717 /nfs/dbraw/zinc/47/27/17/516472717.db2.gz XRNTYUJSKMOYDD-UHFFFAOYSA-N 1 2 362.780 2.719 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000523605840 516518161 /nfs/dbraw/zinc/51/81/61/516518161.db2.gz XIAZKTWZSLAIKX-QGZVFWFLSA-N 1 2 363.889 2.802 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000523605840 516518174 /nfs/dbraw/zinc/51/81/74/516518174.db2.gz XIAZKTWZSLAIKX-QGZVFWFLSA-N 1 2 363.889 2.802 20 30 FFEDLO C=C(C)COc1cc(C[NH+]2CCN(Cc3cnn(C)c3)CC2)ccc1OC ZINC000513753856 516741965 /nfs/dbraw/zinc/74/19/65/516741965.db2.gz FZLADMSFSYUSDR-UHFFFAOYSA-N 1 2 370.497 2.701 20 30 FFEDLO C=C(C)COc1cc(CN2CC[NH+](Cc3cnn(C)c3)CC2)ccc1OC ZINC000513753856 516741978 /nfs/dbraw/zinc/74/19/78/516741978.db2.gz FZLADMSFSYUSDR-UHFFFAOYSA-N 1 2 370.497 2.701 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)c1cccc(C#N)c1C ZINC000513821118 516769690 /nfs/dbraw/zinc/76/96/90/516769690.db2.gz CHGNZHYKCCCPTH-IRXDYDNUSA-N 1 2 370.428 2.814 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)c1cccc(C#N)c1C ZINC000513821118 516769696 /nfs/dbraw/zinc/76/96/96/516769696.db2.gz CHGNZHYKCCCPTH-IRXDYDNUSA-N 1 2 370.428 2.814 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541165395 516907912 /nfs/dbraw/zinc/90/79/12/516907912.db2.gz ZOAGSRGEDKDROQ-YOEHRIQHSA-N 1 2 362.355 2.869 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541165395 516907925 /nfs/dbraw/zinc/90/79/25/516907925.db2.gz ZOAGSRGEDKDROQ-YOEHRIQHSA-N 1 2 362.355 2.869 20 30 FFEDLO COc1cc2cc[nH+]cc2cc1OC[C@@H](O)COc1ccc(C#N)cc1 ZINC000562210562 516958918 /nfs/dbraw/zinc/95/89/18/516958918.db2.gz JJAFDEOLFJTYQF-KRWDZBQOSA-N 1 2 350.374 2.934 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000519341369 516965601 /nfs/dbraw/zinc/96/56/01/516965601.db2.gz VAHJXGAFXPWHOT-KXBFYZLASA-N 1 2 359.445 2.962 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000519341369 516965612 /nfs/dbraw/zinc/96/56/12/516965612.db2.gz VAHJXGAFXPWHOT-KXBFYZLASA-N 1 2 359.445 2.962 20 30 FFEDLO Cc1cc(Br)ccc1SCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000558899104 516993004 /nfs/dbraw/zinc/99/30/04/516993004.db2.gz QELAQIVHERMZHZ-OAHLLOKOSA-N 1 2 370.316 2.810 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000519450079 517003434 /nfs/dbraw/zinc/00/34/34/517003434.db2.gz QQBUIMUUMLIRNZ-GJZGRUSLSA-N 1 2 362.499 2.781 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000519450079 517003442 /nfs/dbraw/zinc/00/34/42/517003442.db2.gz QQBUIMUUMLIRNZ-GJZGRUSLSA-N 1 2 362.499 2.781 20 30 FFEDLO COCc1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1C#N ZINC000529212747 517009146 /nfs/dbraw/zinc/00/91/46/517009146.db2.gz TYFSVNSEHGLSOH-UHFFFAOYSA-N 1 2 365.437 2.890 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](OCc3c(C)noc3C)C2)c1C#N ZINC000545172086 517084997 /nfs/dbraw/zinc/08/49/97/517084997.db2.gz JARVVWWVQTXDOF-MRXNPFEDSA-N 1 2 369.421 2.741 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](OCc3c(C)noc3C)C2)c1C#N ZINC000545172086 517085004 /nfs/dbraw/zinc/08/50/04/517085004.db2.gz JARVVWWVQTXDOF-MRXNPFEDSA-N 1 2 369.421 2.741 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@H](OCc3c(C)noc3C)C2)c1C#N ZINC000545172085 517085235 /nfs/dbraw/zinc/08/52/35/517085235.db2.gz JARVVWWVQTXDOF-INIZCTEOSA-N 1 2 369.421 2.741 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CC[C@H](OCc3c(C)noc3C)C2)c1C#N ZINC000545172085 517085240 /nfs/dbraw/zinc/08/52/40/517085240.db2.gz JARVVWWVQTXDOF-INIZCTEOSA-N 1 2 369.421 2.741 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCOC[C@@H]3CC3CCC3)C2=O)cc1 ZINC000555761733 517111054 /nfs/dbraw/zinc/11/10/54/517111054.db2.gz IZDZSGLCNDGMIA-VQTJNVASSA-N 1 2 353.466 2.945 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCOC[C@@H]3CC3CCC3)C2=O)cc1 ZINC000555761733 517111062 /nfs/dbraw/zinc/11/10/62/517111062.db2.gz IZDZSGLCNDGMIA-VQTJNVASSA-N 1 2 353.466 2.945 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000559187793 517115977 /nfs/dbraw/zinc/11/59/77/517115977.db2.gz WTCJCHUQVBMGCR-GOSISDBHSA-N 1 2 351.454 2.618 20 30 FFEDLO C[C@H](C#N)CN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C1CC1 ZINC000532821113 517159254 /nfs/dbraw/zinc/15/92/54/517159254.db2.gz BEKUPIDZOAAMKX-OAHLLOKOSA-N 1 2 365.437 2.676 20 30 FFEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000555947208 517200096 /nfs/dbraw/zinc/20/00/96/517200096.db2.gz JKPTWAHMABZZMS-UHFFFAOYSA-N 1 2 366.240 2.931 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2csc(CC)n2)CC1 ZINC000515094372 517209833 /nfs/dbraw/zinc/20/98/33/517209833.db2.gz KVZHLNULPHWOQL-MRXNPFEDSA-N 1 2 364.559 2.636 20 30 FFEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)CCC1 ZINC000525893751 517222776 /nfs/dbraw/zinc/22/27/76/517222776.db2.gz LMFCDFUOBYMPHJ-MRXNPFEDSA-N 1 2 370.501 2.594 20 30 FFEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)CCC1 ZINC000525893751 517222781 /nfs/dbraw/zinc/22/27/81/517222781.db2.gz LMFCDFUOBYMPHJ-MRXNPFEDSA-N 1 2 370.501 2.594 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000562604879 517229886 /nfs/dbraw/zinc/22/98/86/517229886.db2.gz UHMCPDCBGWNFKH-DOMZBBRYSA-N 1 2 355.398 2.607 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(Cl)c4c(c3)OCCO4)CC2)n1 ZINC000545504343 517272277 /nfs/dbraw/zinc/27/22/77/517272277.db2.gz IDWDYTBMBMEWNL-UHFFFAOYSA-N 1 2 370.840 2.700 20 30 FFEDLO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1nc2c(s1)CCC2 ZINC000515372995 517323089 /nfs/dbraw/zinc/32/30/89/517323089.db2.gz MHJVSZGHHBUSOD-GFCCVEGCSA-N 1 2 361.492 2.628 20 30 FFEDLO N#Cc1cccc(C2(c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)CC2)c1 ZINC000520331292 517348069 /nfs/dbraw/zinc/34/80/69/517348069.db2.gz UFBYDJNGJPCWAQ-DLBZAZTESA-N 1 2 350.422 2.947 20 30 FFEDLO N#Cc1cccc(C2(c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)CC2)c1 ZINC000520331292 517348078 /nfs/dbraw/zinc/34/80/78/517348078.db2.gz UFBYDJNGJPCWAQ-DLBZAZTESA-N 1 2 350.422 2.947 20 30 FFEDLO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000559703357 517380453 /nfs/dbraw/zinc/38/04/53/517380453.db2.gz AGRRGWWKGQKSDR-CZUORRHYSA-N 1 2 362.380 2.817 20 30 FFEDLO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000559703340 517381493 /nfs/dbraw/zinc/38/14/93/517381493.db2.gz AGRRGWWKGQKSDR-BBRMVZONSA-N 1 2 362.380 2.817 20 30 FFEDLO N#Cc1cccc(C[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)c1F ZINC000538146809 517484435 /nfs/dbraw/zinc/48/44/35/517484435.db2.gz FYWZUMYVHVOUDV-UHFFFAOYSA-N 1 2 373.453 2.640 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000538223724 517513216 /nfs/dbraw/zinc/51/32/16/517513216.db2.gz WCBATRWRZJZEHJ-UHFFFAOYSA-N 1 2 364.287 2.878 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000538223724 517513227 /nfs/dbraw/zinc/51/32/27/517513227.db2.gz WCBATRWRZJZEHJ-UHFFFAOYSA-N 1 2 364.287 2.878 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NCCCCn2cc[nH+]c2)cc1C(F)(F)F ZINC000538280194 517538642 /nfs/dbraw/zinc/53/86/42/517538642.db2.gz QMVPRVZHCCNXEJ-UHFFFAOYSA-N 1 2 372.372 2.532 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000527190825 517550592 /nfs/dbraw/zinc/55/05/92/517550592.db2.gz UAHLJTOADJQHBJ-LQWHRVPQSA-N 1 2 368.525 2.932 20 30 FFEDLO C=CCCCCCNC(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000516193772 517612928 /nfs/dbraw/zinc/61/29/28/517612928.db2.gz QLRDJVJTXGFPKE-KRWDZBQOSA-N 1 2 372.513 2.788 20 30 FFEDLO COc1ccc(F)c(N2CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)c1 ZINC000563212750 517741533 /nfs/dbraw/zinc/74/15/33/517741533.db2.gz YQDFFAHNBZIFEC-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000556943806 517764787 /nfs/dbraw/zinc/76/47/87/517764787.db2.gz LHWDYXMVENIUCW-UHFFFAOYSA-N 1 2 365.424 2.809 20 30 FFEDLO C=CC[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000521813764 517860245 /nfs/dbraw/zinc/86/02/45/517860245.db2.gz WZHOHYRPFJSPRP-UHFFFAOYSA-N 1 2 364.405 2.771 20 30 FFEDLO C=CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000521813764 517860251 /nfs/dbraw/zinc/86/02/51/517860251.db2.gz WZHOHYRPFJSPRP-UHFFFAOYSA-N 1 2 364.405 2.771 20 30 FFEDLO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c2[nH+]ccn21 ZINC000521824283 517862664 /nfs/dbraw/zinc/86/26/64/517862664.db2.gz QJYVXJMFAZDZPM-XNRPHZJLSA-N 1 2 353.401 2.542 20 30 FFEDLO C[NH+](C)[C@@H](CNS(=O)(=O)CC1(C#N)CCCC1)c1ccccc1Cl ZINC000546797970 517862842 /nfs/dbraw/zinc/86/28/42/517862842.db2.gz QKRMCAAIPWAUPN-INIZCTEOSA-N 1 2 369.918 2.946 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000550232532 517940179 /nfs/dbraw/zinc/94/01/79/517940179.db2.gz MIUHELWPFXUIKX-WMLDXEAASA-N 1 2 372.444 2.626 20 30 FFEDLO CCn1cc(C[N@H+](CCO)Cc2ccc(Br)cc2C#N)cn1 ZINC000553895513 517958426 /nfs/dbraw/zinc/95/84/26/517958426.db2.gz UVSVVQOTDMYHAT-UHFFFAOYSA-N 1 2 363.259 2.532 20 30 FFEDLO CCn1cc(C[N@@H+](CCO)Cc2ccc(Br)cc2C#N)cn1 ZINC000553895513 517958437 /nfs/dbraw/zinc/95/84/37/517958437.db2.gz UVSVVQOTDMYHAT-UHFFFAOYSA-N 1 2 363.259 2.532 20 30 FFEDLO C=CC[C@H](CO)CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000539257958 517968342 /nfs/dbraw/zinc/96/83/42/517968342.db2.gz SDWJWLTVOLCSOL-HNNXBMFYSA-N 1 2 352.438 2.908 20 30 FFEDLO C=CCN1CC[C@@H](Sc2[nH+]cnc3c2cnn3-c2ccccc2)C1=O ZINC000539510540 518083782 /nfs/dbraw/zinc/08/37/82/518083782.db2.gz FYTCLMVAQXCANG-OAHLLOKOSA-N 1 2 351.435 2.695 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000550515980 518094642 /nfs/dbraw/zinc/09/46/42/518094642.db2.gz OSGZICCRBDBDAI-MRXNPFEDSA-N 1 2 358.486 2.549 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000543559345 518137603 /nfs/dbraw/zinc/13/76/03/518137603.db2.gz QPZNVQYOGNCEFV-YFVAEKQCSA-N 1 2 357.498 2.763 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000543559345 518137604 /nfs/dbraw/zinc/13/76/04/518137604.db2.gz QPZNVQYOGNCEFV-YFVAEKQCSA-N 1 2 357.498 2.763 20 30 FFEDLO CCCn1c(C)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2cc(OC)ccc21 ZINC000581313804 518225839 /nfs/dbraw/zinc/22/58/39/518225839.db2.gz SFNSTYJGLKHJRF-FQEVSTJZSA-N 1 2 356.470 2.942 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)C1CC1 ZINC000578566272 518267507 /nfs/dbraw/zinc/26/75/07/518267507.db2.gz KCWSTWIEQKYVPX-QGZVFWFLSA-N 1 2 364.453 2.533 20 30 FFEDLO CN(Cc1nc(C#N)cs1)[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)CC1 ZINC000572740661 518339944 /nfs/dbraw/zinc/33/99/44/518339944.db2.gz ZTAGIKCOGRJEHV-HNNXBMFYSA-N 1 2 372.523 2.829 20 30 FFEDLO CN(Cc1nc(C#N)cs1)[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)CC1 ZINC000572740661 518339951 /nfs/dbraw/zinc/33/99/51/518339951.db2.gz ZTAGIKCOGRJEHV-HNNXBMFYSA-N 1 2 372.523 2.829 20 30 FFEDLO Cc1cc(Br)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1Cl ZINC000584472801 518357751 /nfs/dbraw/zinc/35/77/51/518357751.db2.gz GFZGKACAGDJQKE-AWEZNQCLSA-N 1 2 358.667 2.985 20 30 FFEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000567121422 518362616 /nfs/dbraw/zinc/36/26/16/518362616.db2.gz FTBXXZAMGNAIRB-GFCCVEGCSA-N 1 2 359.411 2.939 20 30 FFEDLO COc1cc(CNC(=O)NCCCCNc2cccc[nH+]2)ccc1C#N ZINC000575964304 518363342 /nfs/dbraw/zinc/36/33/42/518363342.db2.gz WKXWQSFKILVLQZ-UHFFFAOYSA-N 1 2 353.426 2.653 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+](CC(=O)OC(C)(C)C)C1CCOCC1 ZINC000581610974 518371584 /nfs/dbraw/zinc/37/15/84/518371584.db2.gz JGJMRPAKJGDURE-UHFFFAOYSA-N 1 2 360.454 2.890 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+](CC(=O)OC(C)(C)C)C1CCOCC1 ZINC000581610974 518371587 /nfs/dbraw/zinc/37/15/87/518371587.db2.gz JGJMRPAKJGDURE-UHFFFAOYSA-N 1 2 360.454 2.890 20 30 FFEDLO Cc1c[nH]c(C(C)(C)NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)[nH+]1 ZINC000570051480 518419078 /nfs/dbraw/zinc/41/90/78/518419078.db2.gz QIBQUXZHJSNMHK-CQSZACIVSA-N 1 2 355.417 2.607 20 30 FFEDLO N#Cc1csc(C[NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)n1 ZINC000581853682 518468248 /nfs/dbraw/zinc/46/82/48/518468248.db2.gz PZPVOWXHVVRTAT-CYBMUJFWSA-N 1 2 350.806 2.702 20 30 FFEDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000564533680 518489769 /nfs/dbraw/zinc/48/97/69/518489769.db2.gz UHHWCNJODQGPAR-AWEZNQCLSA-N 1 2 360.401 2.976 20 30 FFEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000564533680 518489776 /nfs/dbraw/zinc/48/97/76/518489776.db2.gz UHHWCNJODQGPAR-AWEZNQCLSA-N 1 2 360.401 2.976 20 30 FFEDLO CCO[C@H](C)c1nc(CN2CC[NH+](Cc3ccc(C#N)cn3)CC2)cs1 ZINC000567482896 518547879 /nfs/dbraw/zinc/54/78/79/518547879.db2.gz AUKCULZZCMFRTC-OAHLLOKOSA-N 1 2 371.510 2.825 20 30 FFEDLO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1cc(F)ccc1F ZINC000576353274 518551662 /nfs/dbraw/zinc/55/16/62/518551662.db2.gz BUUBOMWOETTXPQ-UHFFFAOYSA-N 1 2 359.376 2.924 20 30 FFEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1cc(F)ccc1F ZINC000576353274 518551671 /nfs/dbraw/zinc/55/16/71/518551671.db2.gz BUUBOMWOETTXPQ-UHFFFAOYSA-N 1 2 359.376 2.924 20 30 FFEDLO CSCC[C@@](C)(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000582146282 518610315 /nfs/dbraw/zinc/61/03/15/518610315.db2.gz PMQKTJGYZXMJNB-INIZCTEOSA-N 1 2 359.411 2.546 20 30 FFEDLO N#Cc1ccc(C[N@H+](CCO)Cc2ccc(Br)s2)nc1 ZINC000582189247 518631143 /nfs/dbraw/zinc/63/11/43/518631143.db2.gz KHWMCGVUNOQOBC-UHFFFAOYSA-N 1 2 352.257 2.772 20 30 FFEDLO N#Cc1ccc(C[N@@H+](CCO)Cc2ccc(Br)s2)nc1 ZINC000582189247 518631150 /nfs/dbraw/zinc/63/11/50/518631150.db2.gz KHWMCGVUNOQOBC-UHFFFAOYSA-N 1 2 352.257 2.772 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1 ZINC000576587820 518665148 /nfs/dbraw/zinc/66/51/48/518665148.db2.gz OFRGRWNNRHCGMQ-FQEVSTJZSA-N 1 2 358.486 2.564 20 30 FFEDLO N#Cc1cnn2cc(CN3CC[NH+](Cc4ccccc4Cl)CC3)cnc12 ZINC000579593346 518756383 /nfs/dbraw/zinc/75/63/83/518756383.db2.gz CYFPGVJVAWSUBC-UHFFFAOYSA-N 1 2 366.856 2.572 20 30 FFEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nc(-c2ccc(Cl)cc2)n1 ZINC000573687657 518787960 /nfs/dbraw/zinc/78/79/60/518787960.db2.gz BUKQZBYBDLCSNI-SFHVURJKSA-N 1 2 357.845 2.679 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cnnn2-c2ccccc2)CC1 ZINC000588962892 518882998 /nfs/dbraw/zinc/88/29/98/518882998.db2.gz CDSWHTFOFJDCSZ-NRFANRHFSA-N 1 2 358.449 2.650 20 30 FFEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)CCCCCC#N)CC1 ZINC000588969314 518883786 /nfs/dbraw/zinc/88/37/86/518883786.db2.gz BMTIGIXWKNCIEG-UHFFFAOYSA-N 1 2 356.470 2.763 20 30 FFEDLO N#Cc1csc(CN2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)n1 ZINC000568148802 518895025 /nfs/dbraw/zinc/89/50/25/518895025.db2.gz MNRZQEDLNAXFHS-UHFFFAOYSA-N 1 2 372.885 2.634 20 30 FFEDLO N#Cc1cccc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000577059952 518896922 /nfs/dbraw/zinc/89/69/22/518896922.db2.gz DGUXHFTZYLMIAM-CQSZACIVSA-N 1 2 350.426 2.898 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000582848032 518951346 /nfs/dbraw/zinc/95/13/46/518951346.db2.gz DXJRSJPKLCJCRJ-SFHVURJKSA-N 1 2 356.451 2.574 20 30 FFEDLO C=CCOc1ccccc1C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000565442699 518956709 /nfs/dbraw/zinc/95/67/09/518956709.db2.gz DRCIMRXKMSHIBM-UHFFFAOYSA-N 1 2 365.437 2.524 20 30 FFEDLO CCc1nnc(C2CC[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)CC2)[nH]1 ZINC000571175094 518964454 /nfs/dbraw/zinc/96/44/54/518964454.db2.gz UUKUBKUTYFWIJC-UHFFFAOYSA-N 1 2 363.425 2.668 20 30 FFEDLO CCc1n[nH]c(C2CC[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)CC2)n1 ZINC000571175094 518964456 /nfs/dbraw/zinc/96/44/56/518964456.db2.gz UUKUBKUTYFWIJC-UHFFFAOYSA-N 1 2 363.425 2.668 20 30 FFEDLO CCc1nc(C2CC[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)CC2)n[nH]1 ZINC000571175094 518964458 /nfs/dbraw/zinc/96/44/58/518964458.db2.gz UUKUBKUTYFWIJC-UHFFFAOYSA-N 1 2 363.425 2.668 20 30 FFEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000571181753 518967653 /nfs/dbraw/zinc/96/76/53/518967653.db2.gz BKCPKYLNSFQTQG-HNNXBMFYSA-N 1 2 373.453 2.592 20 30 FFEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000571181753 518967657 /nfs/dbraw/zinc/96/76/57/518967657.db2.gz BKCPKYLNSFQTQG-HNNXBMFYSA-N 1 2 373.453 2.592 20 30 FFEDLO N#Cc1csc(C[NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)n1 ZINC000589315058 518979638 /nfs/dbraw/zinc/97/96/38/518979638.db2.gz ZORKXQGTHMBZLL-CYBMUJFWSA-N 1 2 366.368 2.929 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](Cc2ccc(F)cc2)C2CC2)nc1 ZINC000577243002 518983519 /nfs/dbraw/zinc/98/35/19/518983519.db2.gz DXOQGFAPRBLZRN-UHFFFAOYSA-N 1 2 359.426 2.531 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](Cc2ccc(F)cc2)C2CC2)nc1 ZINC000577243002 518983525 /nfs/dbraw/zinc/98/35/25/518983525.db2.gz DXOQGFAPRBLZRN-UHFFFAOYSA-N 1 2 359.426 2.531 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C#N)n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000589485391 519015454 /nfs/dbraw/zinc/01/54/54/519015454.db2.gz CCQQOTGTPJVKQE-CRAIPNDOSA-N 1 2 374.366 2.936 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C#N)n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000589485391 519015461 /nfs/dbraw/zinc/01/54/61/519015461.db2.gz CCQQOTGTPJVKQE-CRAIPNDOSA-N 1 2 374.366 2.936 20 30 FFEDLO COc1cc(CNC(=O)NCCc2cn3cccc(C)c3[nH+]2)ccc1C#N ZINC000589614421 519042929 /nfs/dbraw/zinc/04/29/29/519042929.db2.gz SJRKQNQYGVVYBE-UHFFFAOYSA-N 1 2 363.421 2.565 20 30 FFEDLO N#Cc1ccc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1F ZINC000571334570 519043790 /nfs/dbraw/zinc/04/37/90/519043790.db2.gz QKOUNMZCOAMJTR-UHFFFAOYSA-N 1 2 368.412 2.926 20 30 FFEDLO COc1cccc([C@H](NC(=O)c2ncc(C#N)cc2C)c2[nH+]ccn2C)c1 ZINC000590139012 519160096 /nfs/dbraw/zinc/16/00/96/519160096.db2.gz TVRJOWJATXVVOX-SFHVURJKSA-N 1 2 361.405 2.523 20 30 FFEDLO Cc1cc(C)c(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)[nH+]1 ZINC000583365057 519208770 /nfs/dbraw/zinc/20/87/70/519208770.db2.gz VGPRMPPIDVGLSU-INIZCTEOSA-N 1 2 351.410 2.959 20 30 FFEDLO CCCn1nc(C)c(C[NH+]2CCN(c3snc(C)c3C#N)CC2)c1C ZINC000568819565 519227783 /nfs/dbraw/zinc/22/77/83/519227783.db2.gz RPJBTVSYYQWMFA-UHFFFAOYSA-N 1 2 358.515 2.869 20 30 FFEDLO N#Cc1cc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)ccc1F ZINC000590543340 519260898 /nfs/dbraw/zinc/26/08/98/519260898.db2.gz GGCGCDOOZGUDOP-UHFFFAOYSA-N 1 2 358.442 2.932 20 30 FFEDLO Cc1cccc([C@H](CNc2nc(C#N)c(Cl)s2)[NH+]2CCOCC2)c1 ZINC000590572623 519270514 /nfs/dbraw/zinc/27/05/14/519270514.db2.gz POMDOWNJWMGWKM-HNNXBMFYSA-N 1 2 362.886 2.884 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCc3[nH+]c[nH]c3C2)c1C#N ZINC000590599550 519283350 /nfs/dbraw/zinc/28/33/50/519283350.db2.gz IMTWCQMBCAVNCE-UHFFFAOYSA-N 1 2 374.448 2.686 20 30 FFEDLO N#C[C@@]1(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC12CCCC2 ZINC000590616186 519290388 /nfs/dbraw/zinc/29/03/88/519290388.db2.gz BTKYANGVLZLNLE-OAQYLSRUSA-N 1 2 353.466 2.684 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc4cc(Cl)cnc4o3)CC2)c1C#N ZINC000590651454 519304024 /nfs/dbraw/zinc/30/40/24/519304024.db2.gz GCUDGBUNFWDTDR-UHFFFAOYSA-N 1 2 370.844 2.717 20 30 FFEDLO COc1cc(CNC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)ccc1C#N ZINC000580935183 519434506 /nfs/dbraw/zinc/43/45/06/519434506.db2.gz RQZLOVRGFLKJEU-INIZCTEOSA-N 1 2 353.426 2.593 20 30 FFEDLO CN1C(=O)C[C@@H]([NH2+]Cc2nc(C#N)cs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000583841892 519460236 /nfs/dbraw/zinc/46/02/36/519460236.db2.gz QJQOQCXZCMFMHG-CZUORRHYSA-N 1 2 364.833 2.869 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000581038758 519489900 /nfs/dbraw/zinc/48/99/00/519489900.db2.gz WZUWSXUKEPBLDB-SFHVURJKSA-N 1 2 369.421 2.516 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000581038758 519489909 /nfs/dbraw/zinc/48/99/09/519489909.db2.gz WZUWSXUKEPBLDB-SFHVURJKSA-N 1 2 369.421 2.516 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)c1C#N ZINC000591056126 519493813 /nfs/dbraw/zinc/49/38/13/519493813.db2.gz MUXXSWMOPAFRGG-INIZCTEOSA-N 1 2 351.454 2.541 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)c1C#N ZINC000591056126 519493819 /nfs/dbraw/zinc/49/38/19/519493819.db2.gz MUXXSWMOPAFRGG-INIZCTEOSA-N 1 2 351.454 2.541 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)n1 ZINC000581111240 519526296 /nfs/dbraw/zinc/52/62/96/519526296.db2.gz FRSOIRNCRSRQON-UHFFFAOYSA-N 1 2 370.840 2.715 20 30 FFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(S(=O)(=O)CCC(C)(C)C#N)CC1 ZINC000575165146 519535596 /nfs/dbraw/zinc/53/55/96/519535596.db2.gz XZZPIVVNMLKUKZ-OAHLLOKOSA-N 1 2 367.490 2.774 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857900 519931095 /nfs/dbraw/zinc/93/10/95/519931095.db2.gz WRKLQNULFVFONM-MELADBBJSA-N 1 2 368.403 2.951 20 30 FFEDLO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602861916 519933743 /nfs/dbraw/zinc/93/37/43/519933743.db2.gz JJZSOTGEAULKJI-NWDGAFQWSA-N 1 2 373.375 2.949 20 30 FFEDLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602863153 519935236 /nfs/dbraw/zinc/93/52/36/519935236.db2.gz OWNHQLMLYVCBOB-BRWVUGGUSA-N 1 2 368.481 2.870 20 30 FFEDLO C[C@H](NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000602862734 519935532 /nfs/dbraw/zinc/93/55/32/519935532.db2.gz NQILHAOBPBJTQZ-KSZLIROESA-N 1 2 364.493 2.935 20 30 FFEDLO C[C@H](NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000602862734 519935536 /nfs/dbraw/zinc/93/55/36/519935536.db2.gz NQILHAOBPBJTQZ-KSZLIROESA-N 1 2 364.493 2.935 20 30 FFEDLO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866280 519936215 /nfs/dbraw/zinc/93/62/15/519936215.db2.gz VMFCVTIPRZFETF-ZJPYXAASSA-N 1 2 354.498 2.661 20 30 FFEDLO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866280 519936222 /nfs/dbraw/zinc/93/62/22/519936222.db2.gz VMFCVTIPRZFETF-ZJPYXAASSA-N 1 2 354.498 2.661 20 30 FFEDLO COc1ccc(-c2noc([C@H](C)[N@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)n2)cc1 ZINC000602866202 519936563 /nfs/dbraw/zinc/93/65/63/519936563.db2.gz VCAUDMITRIFYOI-ZNMIVQPWSA-N 1 2 355.442 2.724 20 30 FFEDLO COc1ccc(-c2noc([C@H](C)[N@@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)n2)cc1 ZINC000602866202 519936569 /nfs/dbraw/zinc/93/65/69/519936569.db2.gz VCAUDMITRIFYOI-ZNMIVQPWSA-N 1 2 355.442 2.724 20 30 FFEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@H](C)CC#N)c1C#N ZINC000602870347 519940215 /nfs/dbraw/zinc/94/02/15/519940215.db2.gz SNONCKITNSISEC-GFCCVEGCSA-N 1 2 353.401 2.935 20 30 FFEDLO CCOC(=O)c1c(C)n[nH]c1C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602901897 519961705 /nfs/dbraw/zinc/96/17/05/519961705.db2.gz RICNGXOWEJUZLJ-UHFFFAOYSA-N 1 2 367.453 2.843 20 30 FFEDLO C[C@H](c1nnnn1-c1ccccc1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909243 519965485 /nfs/dbraw/zinc/96/54/85/519965485.db2.gz KHAJRURGUJWPGM-OAHLLOKOSA-N 1 2 359.437 2.870 20 30 FFEDLO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@H]1C#N ZINC000602980309 520004730 /nfs/dbraw/zinc/00/47/30/520004730.db2.gz OLWZWVVGIRDHIL-DOTOQJQBSA-N 1 2 363.383 2.797 20 30 FFEDLO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@H]1C#N ZINC000602980309 520004737 /nfs/dbraw/zinc/00/47/37/520004737.db2.gz OLWZWVVGIRDHIL-DOTOQJQBSA-N 1 2 363.383 2.797 20 30 FFEDLO N#Cc1ccc(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c(C(F)(F)F)c1 ZINC000594511078 520007853 /nfs/dbraw/zinc/00/78/53/520007853.db2.gz PKEGSRNCMNAZSK-CYBMUJFWSA-N 1 2 351.332 2.836 20 30 FFEDLO CCOC(=O)c1cccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)n1 ZINC000600114290 520055435 /nfs/dbraw/zinc/05/54/35/520055435.db2.gz HFAYOYJFPAJABE-UHFFFAOYSA-N 1 2 368.412 2.591 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H](NS(=O)(=O)CC1(C#N)CCCC1)c1ccccc1 ZINC000612677027 520084017 /nfs/dbraw/zinc/08/40/17/520084017.db2.gz VTYJKGTZMGACEU-QGZVFWFLSA-N 1 2 372.494 2.707 20 30 FFEDLO N#Cc1cnccc1C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000592072098 520166925 /nfs/dbraw/zinc/16/69/25/520166925.db2.gz ALYFVLRROKVYGP-UHFFFAOYSA-N 1 2 354.479 2.586 20 30 FFEDLO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccncc1C#N ZINC000592108319 520188886 /nfs/dbraw/zinc/18/88/86/520188886.db2.gz VBTAAHSIDDSWKL-OAHLLOKOSA-N 1 2 370.478 2.686 20 30 FFEDLO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccncc1C#N ZINC000592108319 520188895 /nfs/dbraw/zinc/18/88/95/520188895.db2.gz VBTAAHSIDDSWKL-OAHLLOKOSA-N 1 2 370.478 2.686 20 30 FFEDLO Cc1cccc(C[NH+]2CCN(C(=O)CSc3ccncc3C#N)CC2)c1 ZINC000594908116 520212330 /nfs/dbraw/zinc/21/23/30/520212330.db2.gz GVQNCUHIAUQXPO-UHFFFAOYSA-N 1 2 366.490 2.698 20 30 FFEDLO COCc1cc(C#N)ccc1N1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000603331383 520218313 /nfs/dbraw/zinc/21/83/13/520218313.db2.gz RZDKGORFMBCTHG-UHFFFAOYSA-N 1 2 361.449 2.903 20 30 FFEDLO CC(C)(C)OC(=O)C1(C)CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000592158421 520234085 /nfs/dbraw/zinc/23/40/85/520234085.db2.gz DVYZMFBMTRMJLT-MRXNPFEDSA-N 1 2 357.454 2.528 20 30 FFEDLO N#Cc1ccc(Cn2cc[nH+]c2CN2CCOCC2)c(C(F)(F)F)c1 ZINC000603421427 520259088 /nfs/dbraw/zinc/25/90/88/520259088.db2.gz WRPCNZUMYQVUGD-UHFFFAOYSA-N 1 2 350.344 2.654 20 30 FFEDLO Cc1ccc([C@@H](NC(=O)C[NH+]2CCN([C@H](C#N)C(C)C)CC2)C2CC2)cc1 ZINC000609484879 520328021 /nfs/dbraw/zinc/32/80/21/520328021.db2.gz NUZOFBUEPKYKSU-IFMALSPDSA-N 1 2 368.525 2.728 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N(C2CC2)C2CCC(C)CC2)CC1 ZINC000609486809 520330126 /nfs/dbraw/zinc/33/01/26/520330126.db2.gz SBIUHSZMSMFUIC-QLOJAFMTSA-N 1 2 360.546 2.722 20 30 FFEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597942490 520342105 /nfs/dbraw/zinc/34/21/05/520342105.db2.gz ZJWKPYJIDJFKHX-HXUWFJFHSA-N 1 2 372.469 2.560 20 30 FFEDLO CSc1nc(C2CC2)cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c1C#N ZINC000609569149 520360785 /nfs/dbraw/zinc/36/07/85/520360785.db2.gz JGCGOAVIEPJYPP-UHFFFAOYSA-N 1 2 366.446 2.851 20 30 FFEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000597999163 520367574 /nfs/dbraw/zinc/36/75/74/520367574.db2.gz QUGLIEZRMGLFBA-MNOVXSKESA-N 1 2 356.253 2.704 20 30 FFEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000597999163 520367584 /nfs/dbraw/zinc/36/75/84/520367584.db2.gz QUGLIEZRMGLFBA-MNOVXSKESA-N 1 2 356.253 2.704 20 30 FFEDLO Cc1ccc(C(=O)NC2CCN(CC#N)CC2)cc1Oc1cc[nH+]cc1 ZINC000609644192 520393549 /nfs/dbraw/zinc/39/35/49/520393549.db2.gz PZMVJDCGNARGJU-UHFFFAOYSA-N 1 2 350.422 2.900 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c(C#N)c1C ZINC000603905089 520400842 /nfs/dbraw/zinc/40/08/42/520400842.db2.gz AVDDCLSSBPZBFY-CALCHBBNSA-N 1 2 364.449 2.775 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c(C#N)c1C ZINC000603905089 520400850 /nfs/dbraw/zinc/40/08/50/520400850.db2.gz AVDDCLSSBPZBFY-CALCHBBNSA-N 1 2 364.449 2.775 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000609800431 520438927 /nfs/dbraw/zinc/43/89/27/520438927.db2.gz GVHMRXHIFLEHSH-LJQANCHMSA-N 1 2 351.475 2.965 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000609800431 520438936 /nfs/dbraw/zinc/43/89/36/520438936.db2.gz GVHMRXHIFLEHSH-LJQANCHMSA-N 1 2 351.475 2.965 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[NH2+]CC(F)(F)c1ccc(F)cc1 ZINC000600745888 520442619 /nfs/dbraw/zinc/44/26/19/520442619.db2.gz QQGPFFZBFUTYQX-INIZCTEOSA-N 1 2 350.340 2.819 20 30 FFEDLO Cc1ccc([C@H](CNc2cc(C#N)c3ccccc3n2)[NH+]2CCOCC2)o1 ZINC000609890617 520471796 /nfs/dbraw/zinc/47/17/96/520471796.db2.gz GYAONHKQYVMXOQ-IBGZPJMESA-N 1 2 362.433 2.915 20 30 FFEDLO Cc1cccn2c(NC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)c[nH+]c12 ZINC000598264692 520527536 /nfs/dbraw/zinc/52/75/36/520527536.db2.gz ZSWXTYJFVBRWSH-UHFFFAOYSA-N 1 2 373.420 2.745 20 30 FFEDLO CC(C)(C(=O)N(CC[NH+]1CCOCC1)CC1CC1)c1cc(F)cc(C#N)c1 ZINC000598341980 520564278 /nfs/dbraw/zinc/56/42/78/520564278.db2.gz AIUJCRCPZHNSIL-UHFFFAOYSA-N 1 2 373.472 2.546 20 30 FFEDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cn([C@@H]3CC[C@H](C#N)C3)nn2)CC1 ZINC000600973058 520566057 /nfs/dbraw/zinc/56/60/57/520566057.db2.gz JAUNRBQLUMHGDX-WMLDXEAASA-N 1 2 359.474 2.697 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595614234 520594438 /nfs/dbraw/zinc/59/44/38/520594438.db2.gz JRXDZUGSQIIFPJ-YJBOKZPZSA-N 1 2 371.481 2.688 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595614234 520594445 /nfs/dbraw/zinc/59/44/45/520594445.db2.gz JRXDZUGSQIIFPJ-YJBOKZPZSA-N 1 2 371.481 2.688 20 30 FFEDLO COc1cc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c(OC)cc1Cl ZINC000595617558 520597049 /nfs/dbraw/zinc/59/70/49/520597049.db2.gz WWWKKTGHBMQQPU-GFCCVEGCSA-N 1 2 351.834 2.921 20 30 FFEDLO COc1cc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)c(OC)cc1Cl ZINC000595617558 520597055 /nfs/dbraw/zinc/59/70/55/520597055.db2.gz WWWKKTGHBMQQPU-GFCCVEGCSA-N 1 2 351.834 2.921 20 30 FFEDLO COC(=O)C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C1CCCCC1 ZINC000595662738 520630732 /nfs/dbraw/zinc/63/07/32/520630732.db2.gz AFJBOLGZELNYJM-UHFFFAOYSA-N 1 2 357.454 2.741 20 30 FFEDLO COC(=O)C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C1CCCCC1 ZINC000595662738 520630740 /nfs/dbraw/zinc/63/07/40/520630740.db2.gz AFJBOLGZELNYJM-UHFFFAOYSA-N 1 2 357.454 2.741 20 30 FFEDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000595677771 520642610 /nfs/dbraw/zinc/64/26/10/520642610.db2.gz JPYDFCPZIGHHJX-LJQANCHMSA-N 1 2 354.406 2.792 20 30 FFEDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000595677771 520642618 /nfs/dbraw/zinc/64/26/18/520642618.db2.gz JPYDFCPZIGHHJX-LJQANCHMSA-N 1 2 354.406 2.792 20 30 FFEDLO CC[C@H](COCC1CC1)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000595705980 520663389 /nfs/dbraw/zinc/66/33/89/520663389.db2.gz ZGINSQLHPGWUOS-HXUWFJFHSA-N 1 2 370.497 2.591 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCc2nc(-c3ccccc3)sc2C1)C1CC1 ZINC000595715155 520668139 /nfs/dbraw/zinc/66/81/39/520668139.db2.gz RNTXYWKOKFOWDB-HXUWFJFHSA-N 1 2 366.490 2.977 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCc2nc(-c3ccccc3)sc2C1)C1CC1 ZINC000595715155 520668146 /nfs/dbraw/zinc/66/81/46/520668146.db2.gz RNTXYWKOKFOWDB-HXUWFJFHSA-N 1 2 366.490 2.977 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595748883 520696123 /nfs/dbraw/zinc/69/61/23/520696123.db2.gz YTFSTQJRZKLVAG-HBMCJLEFSA-N 1 2 364.445 2.870 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595748883 520696129 /nfs/dbraw/zinc/69/61/29/520696129.db2.gz YTFSTQJRZKLVAG-HBMCJLEFSA-N 1 2 364.445 2.870 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCOC[C@H]2c2cccc(F)c2)cc1 ZINC000595758265 520704296 /nfs/dbraw/zinc/70/42/96/520704296.db2.gz HFEYCZDHOQDVJR-FPOVZHCZSA-N 1 2 370.424 2.705 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@H]2c2cccc(F)c2)cc1 ZINC000595758265 520704305 /nfs/dbraw/zinc/70/43/05/520704305.db2.gz HFEYCZDHOQDVJR-FPOVZHCZSA-N 1 2 370.424 2.705 20 30 FFEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593077358 520727516 /nfs/dbraw/zinc/72/75/16/520727516.db2.gz JTMFWZPUGUDNKG-UHFFFAOYSA-N 1 2 360.259 2.824 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCOC(C4CC4)(C4CC4)C3)o2)c1 ZINC000595822069 520746768 /nfs/dbraw/zinc/74/67/68/520746768.db2.gz LXEJUQAYLBTKIJ-UHFFFAOYSA-N 1 2 350.422 2.999 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCOC(C4CC4)(C4CC4)C3)o2)c1 ZINC000595822069 520746773 /nfs/dbraw/zinc/74/67/73/520746773.db2.gz LXEJUQAYLBTKIJ-UHFFFAOYSA-N 1 2 350.422 2.999 20 30 FFEDLO C[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@@H](CC(F)(F)F)O1 ZINC000595891262 520799458 /nfs/dbraw/zinc/79/94/58/520799458.db2.gz PJRHWHQOKPKADA-CMPLNLGQSA-N 1 2 361.389 2.990 20 30 FFEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@@H](CC(F)(F)F)O1 ZINC000595891262 520799464 /nfs/dbraw/zinc/79/94/64/520799464.db2.gz PJRHWHQOKPKADA-CMPLNLGQSA-N 1 2 361.389 2.990 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000610701433 520803062 /nfs/dbraw/zinc/80/30/62/520803062.db2.gz DQEYUJQSAIGVQL-AWEZNQCLSA-N 1 2 351.454 2.693 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)Nc2ccnn2-c2cc[nH+]cc2)cc1Cl ZINC000610855298 520875029 /nfs/dbraw/zinc/87/50/29/520875029.db2.gz WKMGSBYSOZRFJS-UHFFFAOYSA-N 1 2 359.798 2.593 20 30 FFEDLO N#Cc1ccc(C(=O)N2CCc3[nH]c[nH+]c3C23CCOCC3)cc1Cl ZINC000601652980 520885869 /nfs/dbraw/zinc/88/58/69/520885869.db2.gz LOOAKWFIXSWJRV-UHFFFAOYSA-N 1 2 356.813 2.639 20 30 FFEDLO C[C@H]1CN(c2ccc(CNc3nc(C#N)c(Cl)s3)c[nH+]2)C[C@H](C)O1 ZINC000596076250 520897228 /nfs/dbraw/zinc/89/72/28/520897228.db2.gz NZIVDSJCFYQQTO-QWRGUYRKSA-N 1 2 363.874 2.711 20 30 FFEDLO CC1(C)C[N@@H+]([C@@H](CNc2cc(C#N)cnn2)c2ccc(Cl)cc2)CCO1 ZINC000596106439 520916336 /nfs/dbraw/zinc/91/63/36/520916336.db2.gz CHIXQXYRBCTBHS-KRWDZBQOSA-N 1 2 371.872 2.688 20 30 FFEDLO CC1(C)C[N@H+]([C@@H](CNc2cc(C#N)cnn2)c2ccc(Cl)cc2)CCO1 ZINC000596106439 520916341 /nfs/dbraw/zinc/91/63/41/520916341.db2.gz CHIXQXYRBCTBHS-KRWDZBQOSA-N 1 2 371.872 2.688 20 30 FFEDLO N#Cc1cc(F)c(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)c(F)c1 ZINC000601726570 520921166 /nfs/dbraw/zinc/92/11/66/520921166.db2.gz BHIQVNGPQODTSN-UHFFFAOYSA-N 1 2 357.360 2.500 20 30 FFEDLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2cc(C#N)cnn2)CC1 ZINC000596138480 520934405 /nfs/dbraw/zinc/93/44/05/520934405.db2.gz WSDZAONMFROTTD-ZDUSSCGKSA-N 1 2 372.270 2.994 20 30 FFEDLO C[C@H]1C(=O)Nc2ccccc2C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000598950445 520937794 /nfs/dbraw/zinc/93/77/94/520937794.db2.gz QKFRCDQFOPPNBX-LBPRGKRZSA-N 1 2 354.435 2.791 20 30 FFEDLO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000598950445 520937801 /nfs/dbraw/zinc/93/78/01/520937801.db2.gz QKFRCDQFOPPNBX-LBPRGKRZSA-N 1 2 354.435 2.791 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1)C1CC1 ZINC000611039640 520956953 /nfs/dbraw/zinc/95/69/53/520956953.db2.gz YNGHELSKLNIBIH-BEFAXECRSA-N 1 2 361.873 2.992 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1)C1CC1 ZINC000611039640 520956960 /nfs/dbraw/zinc/95/69/60/520956960.db2.gz YNGHELSKLNIBIH-BEFAXECRSA-N 1 2 361.873 2.992 20 30 FFEDLO CC1(O)CCN(c2cc(NCc3ccc(C#N)c(Cl)c3)[nH+]cn2)CC1 ZINC000596222592 520979803 /nfs/dbraw/zinc/97/98/03/520979803.db2.gz WZRIZEYPJXPTDT-UHFFFAOYSA-N 1 2 357.845 2.965 20 30 FFEDLO CC1(O)CCN(c2cc(NCc3ccc(C#N)c(Cl)c3)nc[nH+]2)CC1 ZINC000596222592 520979809 /nfs/dbraw/zinc/97/98/09/520979809.db2.gz WZRIZEYPJXPTDT-UHFFFAOYSA-N 1 2 357.845 2.965 20 30 FFEDLO Cc1cc(C#N)ccc1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601851804 520988860 /nfs/dbraw/zinc/98/88/60/520988860.db2.gz STXQKECHYDSDBL-UHFFFAOYSA-N 1 2 352.463 2.745 20 30 FFEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cn1 ZINC000611209139 521036894 /nfs/dbraw/zinc/03/68/94/521036894.db2.gz HVKXRWMOLCIWFK-LBPRGKRZSA-N 1 2 370.478 2.971 20 30 FFEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cn1 ZINC000611209139 521036900 /nfs/dbraw/zinc/03/69/00/521036900.db2.gz HVKXRWMOLCIWFK-LBPRGKRZSA-N 1 2 370.478 2.971 20 30 FFEDLO CC(C)C[C@@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)n1cc[nH+]c1 ZINC000602032321 521091115 /nfs/dbraw/zinc/09/11/15/521091115.db2.gz HJQGSSDPWVUQMY-FQEVSTJZSA-N 1 2 365.481 2.686 20 30 FFEDLO Cc1cn2ccc(C(=O)N3CCN(c4cccc(F)c4C#N)CC3)cc2[nH+]1 ZINC000602056875 521108794 /nfs/dbraw/zinc/10/87/94/521108794.db2.gz DASPXRHVTKQSAO-UHFFFAOYSA-N 1 2 363.396 2.616 20 30 FFEDLO CN(C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602073995 521126328 /nfs/dbraw/zinc/12/63/28/521126328.db2.gz HSAKMZFGDQLETN-RDTXWAMCSA-N 1 2 364.405 2.963 20 30 FFEDLO CC1(C)Cc2n[nH]cc2C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000596599104 521157267 /nfs/dbraw/zinc/15/72/67/521157267.db2.gz PHOXQRRBCAGDLD-UHFFFAOYSA-N 1 2 351.454 2.741 20 30 FFEDLO CC1(C)Cc2n[nH]cc2C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000596599104 521157273 /nfs/dbraw/zinc/15/72/73/521157273.db2.gz PHOXQRRBCAGDLD-UHFFFAOYSA-N 1 2 351.454 2.741 20 30 FFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000599365681 521177298 /nfs/dbraw/zinc/17/72/98/521177298.db2.gz GHFSWSLWHQZATD-ROUUACIJSA-N 1 2 364.873 2.785 20 30 FFEDLO N#CC1(C[C@H](O)C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000599365681 521177305 /nfs/dbraw/zinc/17/73/05/521177305.db2.gz GHFSWSLWHQZATD-ROUUACIJSA-N 1 2 364.873 2.785 20 30 FFEDLO C=CCC1(C(=O)NCC[NH+]2CCN(C(=O)C3(CC=C)CCC3)CC2)CCC1 ZINC000614909026 521191585 /nfs/dbraw/zinc/19/15/85/521191585.db2.gz NSRDGFQLLDYZEH-UHFFFAOYSA-N 1 2 373.541 2.740 20 30 FFEDLO Cc1csc([C@@H](C)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000596659217 521196727 /nfs/dbraw/zinc/19/67/27/521196727.db2.gz VOLNBNHCNYRBEL-OAHLLOKOSA-N 1 2 354.479 2.771 20 30 FFEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000614925325 521197241 /nfs/dbraw/zinc/19/72/41/521197241.db2.gz YOTIZKOHCOJZJJ-INIZCTEOSA-N 1 2 361.408 2.715 20 30 FFEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000614925325 521197249 /nfs/dbraw/zinc/19/72/49/521197249.db2.gz YOTIZKOHCOJZJJ-INIZCTEOSA-N 1 2 361.408 2.715 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCc3[nH+]c[nH]c3C2)c1 ZINC000599424852 521213834 /nfs/dbraw/zinc/21/38/34/521213834.db2.gz XXKCXHZVZDQZNM-INIZCTEOSA-N 1 2 351.454 2.720 20 30 FFEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1 ZINC000618758475 521216953 /nfs/dbraw/zinc/21/69/53/521216953.db2.gz AVHOFPXZYVBZLP-MRXNPFEDSA-N 1 2 354.385 2.574 20 30 FFEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1 ZINC000618758475 521216959 /nfs/dbraw/zinc/21/69/59/521216959.db2.gz AVHOFPXZYVBZLP-MRXNPFEDSA-N 1 2 354.385 2.574 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)cc1 ZINC000596729895 521250485 /nfs/dbraw/zinc/25/04/85/521250485.db2.gz KUDNHPOTQLRRAR-XHDPSFHLSA-N 1 2 359.227 2.658 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Br)cc1 ZINC000596729895 521250494 /nfs/dbraw/zinc/25/04/94/521250494.db2.gz KUDNHPOTQLRRAR-XHDPSFHLSA-N 1 2 359.227 2.658 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(Cl)cc1O ZINC000602433752 521342047 /nfs/dbraw/zinc/34/20/47/521342047.db2.gz CAFUJKKBSDGOOJ-UHFFFAOYSA-N 1 2 358.829 2.643 20 30 FFEDLO COCCc1ncc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)s1 ZINC000602445617 521349560 /nfs/dbraw/zinc/34/95/60/521349560.db2.gz RSCZJHRHJGJWJK-UHFFFAOYSA-N 1 2 360.458 2.665 20 30 FFEDLO CS(=O)(=O)Cc1nc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cs1 ZINC000594031433 521361201 /nfs/dbraw/zinc/36/12/01/521361201.db2.gz GEUVNKUEQTYZIT-UHFFFAOYSA-N 1 2 361.492 2.728 20 30 FFEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000615322976 521364702 /nfs/dbraw/zinc/36/47/02/521364702.db2.gz XLPKIHGDMGUWIV-INIZCTEOSA-N 1 2 360.845 2.613 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)Nc1ccc3c(c1)OCCO3)C2 ZINC000599674759 521390174 /nfs/dbraw/zinc/39/01/74/521390174.db2.gz DFUNBFUCWDOKTL-UHFFFAOYSA-N 1 2 363.417 2.521 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)Nc1ccc3c(c1)OCCO3)C2 ZINC000599674759 521390180 /nfs/dbraw/zinc/39/01/80/521390180.db2.gz DFUNBFUCWDOKTL-UHFFFAOYSA-N 1 2 363.417 2.521 20 30 FFEDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676458 521392853 /nfs/dbraw/zinc/39/28/53/521392853.db2.gz DCXSBHOBLFCGPC-UHFFFAOYSA-N 1 2 364.405 2.966 20 30 FFEDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676458 521392866 /nfs/dbraw/zinc/39/28/66/521392866.db2.gz DCXSBHOBLFCGPC-UHFFFAOYSA-N 1 2 364.405 2.966 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H](C)C1 ZINC000599689167 521406160 /nfs/dbraw/zinc/40/61/60/521406160.db2.gz ONXCYPSAZBGQBQ-DABQJJPHSA-N 1 2 363.845 2.812 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H](C)C1 ZINC000599689167 521406169 /nfs/dbraw/zinc/40/61/69/521406169.db2.gz ONXCYPSAZBGQBQ-DABQJJPHSA-N 1 2 363.845 2.812 20 30 FFEDLO N#Cc1ccc(NCC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000611989506 521420801 /nfs/dbraw/zinc/42/08/01/521420801.db2.gz JVKLIVQORUAEEQ-UHFFFAOYSA-N 1 2 351.454 2.886 20 30 FFEDLO Cc1cccn2cc(CCNC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)[nH+]c12 ZINC000619295305 521505315 /nfs/dbraw/zinc/50/53/15/521505315.db2.gz KIUYDVWWFXRLOD-SFHVURJKSA-N 1 2 357.417 2.556 20 30 FFEDLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1)c1ccc2c(c1)OCCO2 ZINC000612162921 521512818 /nfs/dbraw/zinc/51/28/18/521512818.db2.gz RYNYCOCDWHLUOX-AUSJPIAWSA-N 1 2 357.454 2.649 20 30 FFEDLO C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@](C)(C#N)C1)c1ccc2c(c1)OCCO2 ZINC000612162921 521512826 /nfs/dbraw/zinc/51/28/26/521512826.db2.gz RYNYCOCDWHLUOX-AUSJPIAWSA-N 1 2 357.454 2.649 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC(F)(F)F)cc1 ZINC000597183793 521562283 /nfs/dbraw/zinc/56/22/83/521562283.db2.gz KBMIZWUTCRIRST-XHDPSFHLSA-N 1 2 364.327 2.794 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(OC(F)(F)F)cc1 ZINC000597183793 521562286 /nfs/dbraw/zinc/56/22/86/521562286.db2.gz KBMIZWUTCRIRST-XHDPSFHLSA-N 1 2 364.327 2.794 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc(OC)c1OC ZINC000597184697 521562608 /nfs/dbraw/zinc/56/26/08/521562608.db2.gz ZAKVRBPMGPPJSE-UHFFFAOYSA-N 1 2 373.478 2.968 20 30 FFEDLO N#CC1(CC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CCCCC1 ZINC000597212266 521578266 /nfs/dbraw/zinc/57/82/66/521578266.db2.gz SIQQVKVPNIENHP-HXUWFJFHSA-N 1 2 369.509 2.910 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000616135072 521628596 /nfs/dbraw/zinc/62/85/96/521628596.db2.gz JQOVXAMPXBLVTN-JXXFODFXSA-N 1 2 360.477 2.779 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000616135072 521628598 /nfs/dbraw/zinc/62/85/98/521628598.db2.gz JQOVXAMPXBLVTN-JXXFODFXSA-N 1 2 360.477 2.779 20 30 FFEDLO CC[C@H](O)C[NH+]1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000619570731 521775409 /nfs/dbraw/zinc/77/54/09/521775409.db2.gz SCWNQERHDJLMRC-ZDUSSCGKSA-N 1 2 372.694 2.867 20 30 FFEDLO C=C[C@@H]([NH2+][C@@H](C)CCc1ccc(I)cc1)C(=O)OC ZINC000619704348 521830774 /nfs/dbraw/zinc/83/07/74/521830774.db2.gz FSPSNQKSAAKHNN-SMDDNHRTSA-N 1 2 373.234 2.930 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000624241733 522559573 /nfs/dbraw/zinc/55/95/73/522559573.db2.gz SSHNLXUVOGXZPT-PXNSSMCTSA-N 1 2 368.481 2.586 20 30 FFEDLO C=CC(C)(C)CCNC(=O)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000636520988 523038455 /nfs/dbraw/zinc/03/84/55/523038455.db2.gz KMFHCYMLGYCWPX-UHFFFAOYSA-N 1 2 372.513 2.797 20 30 FFEDLO CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000534056684 562524332 /nfs/dbraw/zinc/52/43/32/562524332.db2.gz HLIWBYTYWDFKNT-ZQIUZPCESA-N 1 2 361.490 2.746 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H]2CCSc3ccccc32)c1C#N ZINC000534056657 562524398 /nfs/dbraw/zinc/52/43/98/562524398.db2.gz FXVGVHILZKCBQN-ZDUSSCGKSA-N 1 2 355.467 2.651 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CCN(C(=O)[O-])C3)CC2)cc1 ZINC000833971473 606007941 /nfs/dbraw/zinc/00/79/41/606007941.db2.gz HFCJBRADJMXGDM-SFHVURJKSA-N 1 2 356.470 2.502 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000602892548 673913274 /nfs/dbraw/zinc/91/32/74/673913274.db2.gz PPLPVWGBOGIJCA-NSHDSACASA-N 1 2 362.231 2.666 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000602892548 673913276 /nfs/dbraw/zinc/91/32/76/673913276.db2.gz PPLPVWGBOGIJCA-NSHDSACASA-N 1 2 362.231 2.666 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745078221 735395950 /nfs/dbraw/zinc/39/59/50/735395950.db2.gz BTEGXEWVWYKDJC-GDBMZVCRSA-N 1 2 350.484 2.679 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000745078221 735395954 /nfs/dbraw/zinc/39/59/54/735395954.db2.gz BTEGXEWVWYKDJC-GDBMZVCRSA-N 1 2 350.484 2.679 20 30 FFEDLO C#CCSCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246450317 729586305 /nfs/dbraw/zinc/58/63/05/729586305.db2.gz IXDDYUVQYPJRFH-JKSUJKDBSA-N 1 2 369.893 2.890 20 30 FFEDLO C#CCSCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246450317 729586307 /nfs/dbraw/zinc/58/63/07/729586307.db2.gz IXDDYUVQYPJRFH-JKSUJKDBSA-N 1 2 369.893 2.890 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nn1 ZINC000640801414 730177159 /nfs/dbraw/zinc/17/71/59/730177159.db2.gz FTTPXYVKXGCEDM-LLVKDONJSA-N 1 2 366.252 2.898 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nn1 ZINC000640801415 730177170 /nfs/dbraw/zinc/17/71/70/730177170.db2.gz FTTPXYVKXGCEDM-NSHDSACASA-N 1 2 366.252 2.898 20 30 FFEDLO N#C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000865655639 730982191 /nfs/dbraw/zinc/98/21/91/730982191.db2.gz KQYCMCHMWQSIEU-DJYNDVHFSA-N 1 2 354.237 2.563 20 30 FFEDLO C#C[C@H]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC1 ZINC000873088817 731873644 /nfs/dbraw/zinc/87/36/44/731873644.db2.gz XEYCVWLQKAEAEB-JCNLHEQBSA-N 1 2 358.511 2.626 20 30 FFEDLO C=CCOCCCNC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000661792131 732240560 /nfs/dbraw/zinc/24/05/60/732240560.db2.gz BMBUUIVVEOTHIP-UHFFFAOYSA-N 1 2 351.516 2.730 20 30 FFEDLO CCOc1ccc(N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)nn1 ZINC000662251155 732288753 /nfs/dbraw/zinc/28/87/53/732288753.db2.gz ADWWNTHAUHUIRU-UHFFFAOYSA-N 1 2 356.857 2.702 20 30 FFEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cc1 ZINC000877775552 732427528 /nfs/dbraw/zinc/42/75/28/732427528.db2.gz NHCZSNHHMWCBHF-MLGOLLRUSA-N 1 2 355.360 2.620 20 30 FFEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cc1 ZINC000877775552 732427531 /nfs/dbraw/zinc/42/75/31/732427531.db2.gz NHCZSNHHMWCBHF-MLGOLLRUSA-N 1 2 355.360 2.620 20 30 FFEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNc1cccc[nH+]1 ZINC000878081284 732479065 /nfs/dbraw/zinc/47/90/65/732479065.db2.gz IOEISVRCIKSTLW-ZDUSSCGKSA-N 1 2 368.865 2.646 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc2ccc(Cl)cc2n1 ZINC000878159117 732491157 /nfs/dbraw/zinc/49/11/57/732491157.db2.gz DYGMDEFEHZMXFA-UHFFFAOYSA-N 1 2 358.873 2.936 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000884316576 733510685 /nfs/dbraw/zinc/51/06/85/733510685.db2.gz WYHJTVWIPVOSST-JKSUJKDBSA-N 1 2 350.846 2.840 20 30 FFEDLO C=CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000886772496 733830210 /nfs/dbraw/zinc/83/02/10/733830210.db2.gz ZLKOFKPNXXCWSW-CYBMUJFWSA-N 1 2 359.495 2.838 20 30 FFEDLO C[C@H]1CCCC[C@H]1NC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949218 738767070 /nfs/dbraw/zinc/76/70/70/738767070.db2.gz RLMYYUWHTCVCHD-SMDDNHRTSA-N 1 2 368.275 2.781 20 30 FFEDLO CNS(=O)(=O)c1cccc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)c1 ZINC000783706257 738827846 /nfs/dbraw/zinc/82/78/46/738827846.db2.gz ARBKSBZPALUHFM-WAYWQWQTSA-N 1 2 373.459 2.738 20 30 FFEDLO CCCCCNC(=S)NN=C(C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735612322 734953042 /nfs/dbraw/zinc/95/30/42/734953042.db2.gz MURYISKDAQIPKC-SFHVURJKSA-N 1 2 362.543 2.918 20 30 FFEDLO CCCCCNC(=S)NN=C(C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735612322 734953044 /nfs/dbraw/zinc/95/30/44/734953044.db2.gz MURYISKDAQIPKC-SFHVURJKSA-N 1 2 362.543 2.918 20 30 FFEDLO C#CC[N@@H+](CCCc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000784178128 738866484 /nfs/dbraw/zinc/86/64/84/738866484.db2.gz GLLRLYWPHZJENX-OAHLLOKOSA-N 1 2 370.312 2.504 20 30 FFEDLO C#CC[N@H+](CCCc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000784178128 738866486 /nfs/dbraw/zinc/86/64/86/738866486.db2.gz GLLRLYWPHZJENX-OAHLLOKOSA-N 1 2 370.312 2.504 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nnc(NCc2cccs2)s1 ZINC000899899423 735567059 /nfs/dbraw/zinc/56/70/59/735567059.db2.gz YDQCZEGJNREERB-LLVKDONJSA-N 1 2 369.541 2.510 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nnc(NCc2cccs2)s1 ZINC000899899423 735567063 /nfs/dbraw/zinc/56/70/63/735567063.db2.gz YDQCZEGJNREERB-LLVKDONJSA-N 1 2 369.541 2.510 20 30 FFEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)nn1 ZINC000903192654 736053018 /nfs/dbraw/zinc/05/30/18/736053018.db2.gz PVICDTULQWVZEO-NSHDSACASA-N 1 2 374.388 2.608 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2c3ccccc3CC[C@H]2F)cc1 ZINC000905452193 736342400 /nfs/dbraw/zinc/34/24/00/736342400.db2.gz IWUXQAYGLQBFNS-RTBURBONSA-N 1 2 358.438 2.947 20 30 FFEDLO Cc1ccn(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)c(=O)c1C#N ZINC000905732459 736390400 /nfs/dbraw/zinc/39/04/00/736390400.db2.gz IASRYDMSUFVTAK-CQSZACIVSA-N 1 2 354.479 2.811 20 30 FFEDLO Cc1ccn(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)c(=O)c1C#N ZINC000905732459 736390402 /nfs/dbraw/zinc/39/04/02/736390402.db2.gz IASRYDMSUFVTAK-CQSZACIVSA-N 1 2 354.479 2.811 20 30 FFEDLO NS(=O)(=O)c1ccc(N[NH+]=Cc2ccc(N3CCCCC3)s2)cc1 ZINC000916240303 737688976 /nfs/dbraw/zinc/68/89/76/737688976.db2.gz CUPCMPDSWAIJFQ-UHFFFAOYSA-N 1 2 364.496 2.832 20 30 FFEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2cccc(Br)c2)CC1 ZINC000772115550 737787828 /nfs/dbraw/zinc/78/78/28/737787828.db2.gz JDBXCTHDTBBNAN-UHFFFAOYSA-N 1 2 364.239 2.520 20 30 FFEDLO CC(=NNS(=O)(=O)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000920384365 737904514 /nfs/dbraw/zinc/90/45/14/737904514.db2.gz ZTMOUCWQYYWLIZ-UHFFFAOYSA-N 1 2 354.435 2.716 20 30 FFEDLO CC(=[NH+]NCC(C)(C)S(C)(=O)=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000774485123 737993668 /nfs/dbraw/zinc/99/36/68/737993668.db2.gz ZVKKSDKRYXZDBL-UHFFFAOYSA-N 1 2 352.287 2.712 20 30 FFEDLO C#CCOCCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000784549718 738902884 /nfs/dbraw/zinc/90/28/84/738902884.db2.gz QGWQVIQQMMLAFY-MRXNPFEDSA-N 1 2 367.852 2.565 20 30 FFEDLO CC[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000929515195 738994560 /nfs/dbraw/zinc/99/45/60/738994560.db2.gz ABBORZZIDAPCBC-SJORKVTESA-N 1 2 366.303 2.792 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)CCOc2ccc(F)cc2Cl)n1 ZINC000789323267 739337422 /nfs/dbraw/zinc/33/74/22/739337422.db2.gz KLJFAAAKAYRXMX-UHFFFAOYSA-N 1 2 365.836 2.836 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)CCOc2ccc(F)cc2Cl)n1 ZINC000789323267 739337428 /nfs/dbraw/zinc/33/74/28/739337428.db2.gz KLJFAAAKAYRXMX-UHFFFAOYSA-N 1 2 365.836 2.836 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](c3ccn(C)n3)C2)c(C#N)c1C ZINC000932132982 739393961 /nfs/dbraw/zinc/39/39/61/739393961.db2.gz MYNABVJORRIBIS-CQSZACIVSA-N 1 2 357.483 2.788 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccn(C)n3)C2)c(C#N)c1C ZINC000932132982 739393966 /nfs/dbraw/zinc/39/39/66/739393966.db2.gz MYNABVJORRIBIS-CQSZACIVSA-N 1 2 357.483 2.788 20 30 FFEDLO Cn1ccc(C2CC[NH+](CC(=O)Nc3cc(Cl)ccc3C#N)CC2)n1 ZINC000932144837 739394915 /nfs/dbraw/zinc/39/49/15/739394915.db2.gz YBHRJZIXROYGIQ-UHFFFAOYSA-N 1 2 357.845 2.763 20 30 FFEDLO Cc1sc(NC(=O)C[NH+]2CCC(c3ccn(C)n3)CC2)c(C#N)c1C ZINC000932144781 739395192 /nfs/dbraw/zinc/39/51/92/739395192.db2.gz WPFJAOQSQVXCRP-UHFFFAOYSA-N 1 2 357.483 2.788 20 30 FFEDLO N#CCc1ccc(OS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cc1 ZINC000799746181 740447614 /nfs/dbraw/zinc/44/76/14/740447614.db2.gz ZLVGECDPPFSDIY-UHFFFAOYSA-N 1 2 353.403 2.765 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc(C)sc1C ZINC000960885488 740626896 /nfs/dbraw/zinc/62/68/96/740626896.db2.gz WMPKIDXUMCWLRR-JZXOWHBKSA-N 1 2 363.527 2.774 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc(C)sc1C ZINC000960885488 740626897 /nfs/dbraw/zinc/62/68/97/740626897.db2.gz WMPKIDXUMCWLRR-JZXOWHBKSA-N 1 2 363.527 2.774 20 30 FFEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000801915494 740663139 /nfs/dbraw/zinc/66/31/39/740663139.db2.gz RFVUVINQFZAZAG-GFCCVEGCSA-N 1 2 356.253 2.680 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1cscn1 ZINC000969065360 740729479 /nfs/dbraw/zinc/72/94/79/740729479.db2.gz RBANDRRUGUWJFD-BZSNNMDCSA-N 1 2 363.527 2.985 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1cscn1 ZINC000969065360 740729482 /nfs/dbraw/zinc/72/94/82/740729482.db2.gz RBANDRRUGUWJFD-BZSNNMDCSA-N 1 2 363.527 2.985 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1cscn1 ZINC000969065361 740729546 /nfs/dbraw/zinc/72/95/46/740729546.db2.gz RBANDRRUGUWJFD-SQNIBIBYSA-N 1 2 363.527 2.985 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1Cc1cscn1 ZINC000969065361 740729549 /nfs/dbraw/zinc/72/95/49/740729549.db2.gz RBANDRRUGUWJFD-SQNIBIBYSA-N 1 2 363.527 2.985 20 30 FFEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC=CC[C@H]3C(F)(F)F)C2)C1 ZINC000972434522 740829879 /nfs/dbraw/zinc/82/98/79/740829879.db2.gz HXQWKQSCDNHNBE-BFYDXBDKSA-N 1 2 358.404 2.620 20 30 FFEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC=CC[C@H]3C(F)(F)F)C2)C1 ZINC000972434522 740829888 /nfs/dbraw/zinc/82/98/88/740829888.db2.gz HXQWKQSCDNHNBE-BFYDXBDKSA-N 1 2 358.404 2.620 20 30 FFEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC=CC[C@H]3C(F)(F)F)C2)C1 ZINC000972434523 740830112 /nfs/dbraw/zinc/83/01/12/740830112.db2.gz HXQWKQSCDNHNBE-INMHGKMJSA-N 1 2 358.404 2.620 20 30 FFEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC=CC[C@H]3C(F)(F)F)C2)C1 ZINC000972434523 740830115 /nfs/dbraw/zinc/83/01/15/740830115.db2.gz HXQWKQSCDNHNBE-INMHGKMJSA-N 1 2 358.404 2.620 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)s2)CC1(C)C ZINC000974587827 740884204 /nfs/dbraw/zinc/88/42/04/740884204.db2.gz MYTSBALSGMNRLV-OWCLPIDISA-N 1 2 363.527 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ncc(C)s2)CC1(C)C ZINC000974587827 740884206 /nfs/dbraw/zinc/88/42/06/740884206.db2.gz MYTSBALSGMNRLV-OWCLPIDISA-N 1 2 363.527 2.759 20 30 FFEDLO C#C[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000804858834 740910875 /nfs/dbraw/zinc/91/08/75/740910875.db2.gz JCKPJPQULHLTKA-INIZCTEOSA-N 1 2 367.852 2.563 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000981180436 741139154 /nfs/dbraw/zinc/13/91/54/741139154.db2.gz LDMULYCBJLUSJV-ROUUACIJSA-N 1 2 361.511 2.715 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000981180436 741139157 /nfs/dbraw/zinc/13/91/57/741139157.db2.gz LDMULYCBJLUSJV-ROUUACIJSA-N 1 2 361.511 2.715 20 30 FFEDLO NC(=[NH+]OCc1cnnn1-c1ccccc1)c1ccc(Br)cc1 ZINC000808263977 741204429 /nfs/dbraw/zinc/20/44/29/741204429.db2.gz JZMDYFRNZXTCOG-UHFFFAOYSA-N 1 2 372.226 2.867 20 30 FFEDLO C#CCCS(=O)(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000808305330 741209351 /nfs/dbraw/zinc/20/93/51/741209351.db2.gz PJTIVDYWYWICHY-HZPDHXFCSA-N 1 2 358.866 2.557 20 30 FFEDLO C#CCCS(=O)(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000808305330 741209354 /nfs/dbraw/zinc/20/93/54/741209354.db2.gz PJTIVDYWYWICHY-HZPDHXFCSA-N 1 2 358.866 2.557 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC(=C)Br ZINC001024442207 742726030 /nfs/dbraw/zinc/72/60/30/742726030.db2.gz NTBRFBULPJQSBD-OAGGEKHMSA-N 1 2 371.319 2.847 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC(=C)Br ZINC001024442207 742726032 /nfs/dbraw/zinc/72/60/32/742726032.db2.gz NTBRFBULPJQSBD-OAGGEKHMSA-N 1 2 371.319 2.847 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1csc(CC)n1 ZINC001027888715 742777060 /nfs/dbraw/zinc/77/70/60/742777060.db2.gz XYZIAJLJJALEJW-ZACQAIPSSA-N 1 2 363.527 2.767 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1csc(CC)n1 ZINC001027888715 742777063 /nfs/dbraw/zinc/77/70/63/742777063.db2.gz XYZIAJLJJALEJW-ZACQAIPSSA-N 1 2 363.527 2.767 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccncc1Cl ZINC001027889866 742777561 /nfs/dbraw/zinc/77/75/61/742777561.db2.gz HJJYLFBKMIHWBA-JZXOWHBKSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccncc1Cl ZINC001027889866 742777566 /nfs/dbraw/zinc/77/75/66/742777566.db2.gz HJJYLFBKMIHWBA-JZXOWHBKSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001027891238 742778428 /nfs/dbraw/zinc/77/84/28/742778428.db2.gz SUHRAADBHPSWHI-OWCLPIDISA-N 1 2 364.287 2.674 20 30 FFEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001027891238 742778430 /nfs/dbraw/zinc/77/84/30/742778430.db2.gz SUHRAADBHPSWHI-OWCLPIDISA-N 1 2 364.287 2.674 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC001027939203 742780787 /nfs/dbraw/zinc/78/07/87/742780787.db2.gz JUNYKADZRUUBCN-ZACQAIPSSA-N 1 2 367.921 2.501 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC001027939203 742780790 /nfs/dbraw/zinc/78/07/90/742780790.db2.gz JUNYKADZRUUBCN-ZACQAIPSSA-N 1 2 367.921 2.501 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)ns1 ZINC001029511305 742812909 /nfs/dbraw/zinc/81/29/09/742812909.db2.gz HAINJJGYYUBVEZ-MVJTYMMSSA-N 1 2 361.511 2.608 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)ns1 ZINC001029511305 742812914 /nfs/dbraw/zinc/81/29/14/742812914.db2.gz HAINJJGYYUBVEZ-MVJTYMMSSA-N 1 2 361.511 2.608 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(O)ccc2Cl)C1 ZINC001031680365 742842880 /nfs/dbraw/zinc/84/28/80/742842880.db2.gz BEYDPSRFWMYPBH-AEFFLSMTSA-N 1 2 364.873 2.575 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001033085693 742868708 /nfs/dbraw/zinc/86/87/08/742868708.db2.gz AJSHKFDIEPAECT-ZACQAIPSSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001033085693 742868727 /nfs/dbraw/zinc/86/87/27/742868727.db2.gz AJSHKFDIEPAECT-ZACQAIPSSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001033955148 742907674 /nfs/dbraw/zinc/90/76/74/742907674.db2.gz XZLNYDQNZNQTOB-CFVMTHIKSA-N 1 2 369.918 2.810 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001033955148 742907678 /nfs/dbraw/zinc/90/76/78/742907678.db2.gz XZLNYDQNZNQTOB-CFVMTHIKSA-N 1 2 369.918 2.810 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C)CC[NH+](CC(=C)Br)CC1 ZINC001045441252 743275249 /nfs/dbraw/zinc/27/52/49/743275249.db2.gz BXKVDXQQIZPSST-CABCVRRESA-N 1 2 371.319 2.847 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@@H](C)O1 ZINC001049732614 743482575 /nfs/dbraw/zinc/48/25/75/743482575.db2.gz OLYVIGAWJJIKFQ-LXTVHRRPSA-N 1 2 357.292 2.528 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@@H](C)O1 ZINC001049732614 743482579 /nfs/dbraw/zinc/48/25/79/743482579.db2.gz OLYVIGAWJJIKFQ-LXTVHRRPSA-N 1 2 357.292 2.528 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001049739897 743484221 /nfs/dbraw/zinc/48/42/21/743484221.db2.gz SAZNMGBAWAMELV-LJIZCISZSA-N 1 2 369.303 2.528 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001049739897 743484225 /nfs/dbraw/zinc/48/42/25/743484225.db2.gz SAZNMGBAWAMELV-LJIZCISZSA-N 1 2 369.303 2.528 20 30 FFEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)CC1 ZINC001052053840 743572120 /nfs/dbraw/zinc/57/21/20/743572120.db2.gz SXTFRGSGGKMNNH-BRWVUGGUSA-N 1 2 353.938 2.640 20 30 FFEDLO CC([NH2+]Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)=C1CC1(F)F ZINC000841628708 747421757 /nfs/dbraw/zinc/42/17/57/747421757.db2.gz ARLQYXSJQPGMFR-LLVKDONJSA-N 1 2 373.410 2.782 20 30 FFEDLO C[C@H](CO)[C@@H]1CCCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000852424387 749856871 /nfs/dbraw/zinc/85/68/71/749856871.db2.gz CJUKKLLNZQQWBK-FMKPAKJESA-N 1 2 357.479 2.955 20 30 FFEDLO C[C@H](CO)[C@@H]1CCCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000852424387 749856876 /nfs/dbraw/zinc/85/68/76/749856876.db2.gz CJUKKLLNZQQWBK-FMKPAKJESA-N 1 2 357.479 2.955 20 30 FFEDLO COC(=O)NC1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000852764072 749949103 /nfs/dbraw/zinc/94/91/03/749949103.db2.gz FOOJIHVEQVGJHR-UHFFFAOYSA-N 1 2 352.232 2.641 20 30 FFEDLO C#Cc1cccnc1N1CCC[N@@H+](Cc2csc([C@H](C)OC)n2)CC1 ZINC000853430530 750057955 /nfs/dbraw/zinc/05/79/55/750057955.db2.gz JYLFQVZIBHINDB-HNNXBMFYSA-N 1 2 356.495 2.939 20 30 FFEDLO C#Cc1cccnc1N1CCC[N@H+](Cc2csc([C@H](C)OC)n2)CC1 ZINC000853430530 750057960 /nfs/dbraw/zinc/05/79/60/750057960.db2.gz JYLFQVZIBHINDB-HNNXBMFYSA-N 1 2 356.495 2.939 20 30 FFEDLO C[C@@H]1CN(Cc2ccccc2)C[C@]2(CC[N@H+](Cc3cccc(C#N)n3)C2)O1 ZINC000895679236 970830774 /nfs/dbraw/zinc/83/07/74/970830774.db2.gz DXUQYBDKIOUSFT-XMSQKQJNSA-N 1 2 362.477 2.819 20 30 FFEDLO C[C@@H]1CN(Cc2ccccc2)C[C@]2(CC[N@@H+](Cc3cccc(C#N)n3)C2)O1 ZINC000895679236 970830782 /nfs/dbraw/zinc/83/07/82/970830782.db2.gz DXUQYBDKIOUSFT-XMSQKQJNSA-N 1 2 362.477 2.819 20 30 FFEDLO COCCOc1ccc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)o1 ZINC000895846086 971007211 /nfs/dbraw/zinc/00/72/11/971007211.db2.gz XXZUHLRDCVLWHW-UHFFFAOYSA-N 1 2 359.401 2.638 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(F)(F)C(F)F)C2)nc1 ZINC001104923862 971164436 /nfs/dbraw/zinc/16/44/36/971164436.db2.gz ABMXUWKNHBDNCO-TZMCWYRMSA-N 1 2 371.378 2.651 20 30 FFEDLO CCCCCCC/C=C/C[NH+]1CC2(C1)COCC(=O)N2CCCOC ZINC001275840725 1013068582 /nfs/dbraw/zinc/06/85/82/1013068582.db2.gz QCSZTSSPBUXKSA-MDZDMXLPSA-N 1 2 352.519 2.853 20 30 FFEDLO CC[C@H](C#N)Oc1cc(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)ccc1OC ZINC000896343934 971443752 /nfs/dbraw/zinc/44/37/52/971443752.db2.gz ZEKIMSZLARHUCF-MRXNPFEDSA-N 1 2 370.453 2.933 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)N2c3ccccc3CC[C@H]2C)cc1 ZINC000054230465 971570692 /nfs/dbraw/zinc/57/06/92/971570692.db2.gz CSCTWEAWDRKOBP-CQSZACIVSA-N 1 2 353.422 2.700 20 30 FFEDLO C[C@H](OC(=O)CCc1ccc(N)[nH+]c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000759815183 971725409 /nfs/dbraw/zinc/72/54/09/971725409.db2.gz MZEIKMBRDAYZSD-NSHDSACASA-N 1 2 372.812 2.692 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3noc(C)n3)CC[C@@H]2C1 ZINC001087993031 971737567 /nfs/dbraw/zinc/73/75/67/971737567.db2.gz WWVOFLFCEPGPEI-OIISXLGYSA-N 1 2 369.469 2.521 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3noc(C)n3)CC[C@@H]2C1 ZINC001087993031 971737572 /nfs/dbraw/zinc/73/75/72/971737572.db2.gz WWVOFLFCEPGPEI-OIISXLGYSA-N 1 2 369.469 2.521 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)CC[C@@H]2C1 ZINC001088064393 972065829 /nfs/dbraw/zinc/06/58/29/972065829.db2.gz BUCRFHIMZNBJEX-CVEARBPZSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)CC[C@@H]2C1 ZINC001088064393 972065836 /nfs/dbraw/zinc/06/58/36/972065836.db2.gz BUCRFHIMZNBJEX-CVEARBPZSA-N 1 2 357.502 2.565 20 30 FFEDLO Cc1cc(NC[C@@H](O)C[N@H+](C)CCC#N)cc(NC(=O)OC(C)(C)C)c1 ZINC000872220816 1013184780 /nfs/dbraw/zinc/18/47/80/1013184780.db2.gz NAEXXFOPBPOMDE-QGZVFWFLSA-N 1 2 362.474 2.960 20 30 FFEDLO Cc1cc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc(NC(=O)OC(C)(C)C)c1 ZINC000872220816 1013184785 /nfs/dbraw/zinc/18/47/85/1013184785.db2.gz NAEXXFOPBPOMDE-QGZVFWFLSA-N 1 2 362.474 2.960 20 30 FFEDLO N#Cc1cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c(O)cc1F ZINC001174434145 1013205971 /nfs/dbraw/zinc/20/59/71/1013205971.db2.gz DYFAQEAQAMKPGN-UHFFFAOYSA-N 1 2 357.385 2.858 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)c(F)c1)C2 ZINC001275991651 1013260062 /nfs/dbraw/zinc/26/00/62/1013260062.db2.gz NRJDYGWBLGJLOL-GOSISDBHSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)c(F)c1)C2 ZINC001275991651 1013260067 /nfs/dbraw/zinc/26/00/67/1013260067.db2.gz NRJDYGWBLGJLOL-GOSISDBHSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110178791 1013373264 /nfs/dbraw/zinc/37/32/64/1013373264.db2.gz FRGTZPQBFMQMJF-NEWSRXKRSA-N 1 2 357.429 2.512 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110178791 1013373274 /nfs/dbraw/zinc/37/32/74/1013373274.db2.gz FRGTZPQBFMQMJF-NEWSRXKRSA-N 1 2 357.429 2.512 20 30 FFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000668429974 962952224 /nfs/dbraw/zinc/95/22/24/962952224.db2.gz WRLOMCBZDDRRPQ-MSOLQXFVSA-N 1 2 370.497 2.549 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccc(F)cc2o1 ZINC001111488697 963047639 /nfs/dbraw/zinc/04/76/39/963047639.db2.gz RSTRISAHHSGHPJ-WNOSKKOXSA-N 1 2 373.428 2.780 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccc(F)cc2o1 ZINC001111488697 963047655 /nfs/dbraw/zinc/04/76/55/963047655.db2.gz RSTRISAHHSGHPJ-WNOSKKOXSA-N 1 2 373.428 2.780 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)cc(F)c1 ZINC001110182905 1013418198 /nfs/dbraw/zinc/41/81/98/1013418198.db2.gz DWMYWUMXSYUDJP-QTXLCTLRSA-N 1 2 350.409 2.777 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)cc(F)c1 ZINC001110182905 1013418200 /nfs/dbraw/zinc/41/82/00/1013418200.db2.gz DWMYWUMXSYUDJP-QTXLCTLRSA-N 1 2 350.409 2.777 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccccc2o1 ZINC001110183533 1013420827 /nfs/dbraw/zinc/42/08/27/1013420827.db2.gz XQTKLYNNROAXQE-FSDCSDTHSA-N 1 2 355.438 2.640 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccccc2o1 ZINC001110183533 1013420832 /nfs/dbraw/zinc/42/08/32/1013420832.db2.gz XQTKLYNNROAXQE-FSDCSDTHSA-N 1 2 355.438 2.640 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC000971558614 964158772 /nfs/dbraw/zinc/15/87/72/964158772.db2.gz BSRHOUGMDCWISJ-NUJGCVRESA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncoc2C(C)C)C1 ZINC000971558614 964158777 /nfs/dbraw/zinc/15/87/77/964158777.db2.gz BSRHOUGMDCWISJ-NUJGCVRESA-N 1 2 361.486 2.812 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3CCN(C(=O)c4cc5c[nH+]ccc5[nH]4)[C@@H]3C2)C1 ZINC001022072922 964227609 /nfs/dbraw/zinc/22/76/09/964227609.db2.gz GTJBHTJKMSZHHE-KBXCAEBGSA-N 1 2 364.449 2.592 20 30 FFEDLO C=CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3csc(C(F)(F)F)n3)C2)C1=O ZINC001276121580 1013479893 /nfs/dbraw/zinc/47/98/93/1013479893.db2.gz PUEHETLICDEBST-OAHLLOKOSA-N 1 2 373.400 2.689 20 30 FFEDLO C=CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3csc(C(F)(F)F)n3)C2)C1=O ZINC001276121580 1013479898 /nfs/dbraw/zinc/47/98/98/1013479898.db2.gz PUEHETLICDEBST-OAHLLOKOSA-N 1 2 373.400 2.689 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnn1C(F)F)C2 ZINC001095468386 1013487811 /nfs/dbraw/zinc/48/78/11/1013487811.db2.gz IFQBJKVEAWMPOP-PMPSAXMXSA-N 1 2 371.391 2.685 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnn1C(F)F)C2 ZINC001095468386 1013487815 /nfs/dbraw/zinc/48/78/15/1013487815.db2.gz IFQBJKVEAWMPOP-PMPSAXMXSA-N 1 2 371.391 2.685 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1F ZINC001111489473 964364049 /nfs/dbraw/zinc/36/40/49/964364049.db2.gz AIMVNOLUABXTKR-WNOSKKOXSA-N 1 2 350.409 2.777 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1F ZINC001111489473 964364059 /nfs/dbraw/zinc/36/40/59/964364059.db2.gz AIMVNOLUABXTKR-WNOSKKOXSA-N 1 2 350.409 2.777 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(F)cn3)[C@@H]2C1 ZINC001075715304 964459801 /nfs/dbraw/zinc/45/98/01/964459801.db2.gz ZUKFVPAXOYZJOO-IFXJQAMLSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(F)cn3)[C@@H]2C1 ZINC001075715304 964459808 /nfs/dbraw/zinc/45/98/08/964459808.db2.gz ZUKFVPAXOYZJOO-IFXJQAMLSA-N 1 2 368.387 2.578 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncc(C(C)C)o1 ZINC000960884962 1013506725 /nfs/dbraw/zinc/50/67/25/1013506725.db2.gz SZUYJCNIWJBXRS-ZACQAIPSSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncc(C(C)C)o1 ZINC000960884962 1013506732 /nfs/dbraw/zinc/50/67/32/1013506732.db2.gz SZUYJCNIWJBXRS-ZACQAIPSSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C(C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1nc2ccccc2[nH]1)C(F)(F)F ZINC001270007765 964534941 /nfs/dbraw/zinc/53/49/41/964534941.db2.gz CHYZEQGHYLBTQA-GJZGRUSLSA-N 1 2 364.371 2.857 20 30 FFEDLO C=C(C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1nc2ccccc2[nH]1)C(F)(F)F ZINC001270007765 964534945 /nfs/dbraw/zinc/53/49/45/964534945.db2.gz CHYZEQGHYLBTQA-GJZGRUSLSA-N 1 2 364.371 2.857 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc[nH]c3CC)[C@@H]2C1 ZINC001075755090 965051846 /nfs/dbraw/zinc/05/18/46/965051846.db2.gz RHUWHWGRTQVOLV-SWLSCSKDSA-N 1 2 352.276 2.632 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc[nH]c3CC)[C@@H]2C1 ZINC001075755090 965051858 /nfs/dbraw/zinc/05/18/58/965051858.db2.gz RHUWHWGRTQVOLV-SWLSCSKDSA-N 1 2 352.276 2.632 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2c(C)noc2C)C1 ZINC001087472537 965462743 /nfs/dbraw/zinc/46/27/43/965462743.db2.gz JVRWFIFYZPMLEQ-OALUTQOASA-N 1 2 367.449 2.521 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2c(C)noc2C)C1 ZINC001087472537 965462747 /nfs/dbraw/zinc/46/27/47/965462747.db2.gz JVRWFIFYZPMLEQ-OALUTQOASA-N 1 2 367.449 2.521 20 30 FFEDLO CC#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cncs2)C1 ZINC001087473161 965485893 /nfs/dbraw/zinc/48/58/93/965485893.db2.gz QNCHFYDDMNOWHN-ROUUACIJSA-N 1 2 369.490 2.763 20 30 FFEDLO CC#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cncs2)C1 ZINC001087473161 965485897 /nfs/dbraw/zinc/48/58/97/965485897.db2.gz QNCHFYDDMNOWHN-ROUUACIJSA-N 1 2 369.490 2.763 20 30 FFEDLO CC#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2ccns2)C1 ZINC001087474798 965557581 /nfs/dbraw/zinc/55/75/81/965557581.db2.gz ZJZFFNCEHCWHQZ-ROUUACIJSA-N 1 2 369.490 2.763 20 30 FFEDLO CC#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2ccns2)C1 ZINC001087474798 965557590 /nfs/dbraw/zinc/55/75/90/965557590.db2.gz ZJZFFNCEHCWHQZ-ROUUACIJSA-N 1 2 369.490 2.763 20 30 FFEDLO C=CCN1CC2(CCC1=O)CCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC001270757605 965882732 /nfs/dbraw/zinc/88/27/32/965882732.db2.gz KTXSYEJZMVDGAQ-UHFFFAOYSA-N 1 2 352.438 2.594 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCO2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087493496 966131235 /nfs/dbraw/zinc/13/12/35/966131235.db2.gz YHLGIEKFWJHDAS-IPMKNSEASA-N 1 2 360.885 2.840 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCO2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087493496 966131243 /nfs/dbraw/zinc/13/12/43/966131243.db2.gz YHLGIEKFWJHDAS-IPMKNSEASA-N 1 2 360.885 2.840 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)nn1 ZINC000657474754 966648619 /nfs/dbraw/zinc/64/86/19/966648619.db2.gz QTRTYKSNQFLEJC-BEFAXECRSA-N 1 2 371.460 2.835 20 30 FFEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC000972430457 967068102 /nfs/dbraw/zinc/06/81/02/967068102.db2.gz FPBYUDYNDDEDDT-KCZVDYSFSA-N 1 2 352.478 2.507 20 30 FFEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC000972430457 967068105 /nfs/dbraw/zinc/06/81/05/967068105.db2.gz FPBYUDYNDDEDDT-KCZVDYSFSA-N 1 2 352.478 2.507 20 30 FFEDLO COc1ccc(N2CC[NH+](CCNc3ncc(C#N)cc3Cl)CC2)cc1 ZINC000726966930 967291978 /nfs/dbraw/zinc/29/19/78/967291978.db2.gz DARLBXOJETZAFA-UHFFFAOYSA-N 1 2 371.872 2.849 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cccc(C)n2)[C@H]1CC ZINC001087504079 967299000 /nfs/dbraw/zinc/29/90/00/967299000.db2.gz NKKUQTBFHHYXEJ-DZGCQCFKSA-N 1 2 352.276 2.881 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C)n2)[C@H]1CC ZINC001087504079 967299010 /nfs/dbraw/zinc/29/90/10/967299010.db2.gz NKKUQTBFHHYXEJ-DZGCQCFKSA-N 1 2 352.276 2.881 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cn[nH]c2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087508984 967491721 /nfs/dbraw/zinc/49/17/21/967491721.db2.gz LSANRXMRDQHTFN-ZWKOTPCHSA-N 1 2 356.857 2.698 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cn[nH]c2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087508984 967491725 /nfs/dbraw/zinc/49/17/25/967491725.db2.gz LSANRXMRDQHTFN-ZWKOTPCHSA-N 1 2 356.857 2.698 20 30 FFEDLO CC(F)(F)C(=O)N1CC[C@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001075484650 968359098 /nfs/dbraw/zinc/35/90/98/968359098.db2.gz WFPOVVMFGSHWGK-GOEBONIOSA-N 1 2 352.812 2.879 20 30 FFEDLO CC(F)(F)C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001075484650 968359103 /nfs/dbraw/zinc/35/91/03/968359103.db2.gz WFPOVVMFGSHWGK-GOEBONIOSA-N 1 2 352.812 2.879 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nonc3C)[C@@H]2CC)cc1 ZINC001087627907 968414245 /nfs/dbraw/zinc/41/42/45/968414245.db2.gz QBAGIZKRXPGYSG-PKOBYXMFSA-N 1 2 370.453 2.726 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nonc3C)[C@@H]2CC)cc1 ZINC001087627907 968414250 /nfs/dbraw/zinc/41/42/50/968414250.db2.gz QBAGIZKRXPGYSG-PKOBYXMFSA-N 1 2 370.453 2.726 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2CC)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087666354 968546666 /nfs/dbraw/zinc/54/66/66/968546666.db2.gz ODKKWACXSHVVGO-WCIQWLHISA-N 1 2 373.472 2.982 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2CC)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087666354 968546673 /nfs/dbraw/zinc/54/66/73/968546673.db2.gz ODKKWACXSHVVGO-WCIQWLHISA-N 1 2 373.472 2.982 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]nc2C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087678811 968569860 /nfs/dbraw/zinc/56/98/60/968569860.db2.gz GCNJWICKFIACDZ-ZWKOTPCHSA-N 1 2 355.417 2.512 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]nc2C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087678811 968569862 /nfs/dbraw/zinc/56/98/62/968569862.db2.gz GCNJWICKFIACDZ-ZWKOTPCHSA-N 1 2 355.417 2.512 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cnc(C)nc2C)[C@H]1CC ZINC001087765918 968970503 /nfs/dbraw/zinc/97/05/03/968970503.db2.gz FUYYTGNMXZLREV-LSDHHAIUSA-N 1 2 367.291 2.585 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cnc(C)nc2C)[C@H]1CC ZINC001087765918 968970513 /nfs/dbraw/zinc/97/05/13/968970513.db2.gz FUYYTGNMXZLREV-LSDHHAIUSA-N 1 2 367.291 2.585 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000177563599 969271657 /nfs/dbraw/zinc/27/16/57/969271657.db2.gz LLYOHUUAZUQANK-SJLPKXTDSA-N 1 2 359.470 2.708 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1nc(C)cs1)c1ccccc1 ZINC001267523920 969280191 /nfs/dbraw/zinc/28/01/91/969280191.db2.gz ZCQIURPRGBEVDU-KURKYZTESA-N 1 2 371.506 2.990 20 30 FFEDLO Cc1nn(C)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1Cl ZINC000888665012 1013929959 /nfs/dbraw/zinc/92/99/59/1013929959.db2.gz ZIKGJTGYNNBZKW-UHFFFAOYSA-N 1 2 372.860 2.603 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](CCC)Cc1ncc(C)s1 ZINC001481151135 970268709 /nfs/dbraw/zinc/26/87/09/970268709.db2.gz WDRPATCOOXZKTL-RDJZCZTQSA-N 1 2 351.516 2.761 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+](CCC)Cc1ncc(C)s1 ZINC001481151135 970268714 /nfs/dbraw/zinc/26/87/14/970268714.db2.gz WDRPATCOOXZKTL-RDJZCZTQSA-N 1 2 351.516 2.761 20 30 FFEDLO C#CC[N@@H+](Cn1cc(C)n(-c2cc(C)on2)c1=O)[C@@H]1CCc2ccccc21 ZINC000125304384 1013977447 /nfs/dbraw/zinc/97/74/47/1013977447.db2.gz QXDKJWWLZRXVIX-LJQANCHMSA-N 1 2 362.433 2.824 20 30 FFEDLO C#CC[N@H+](Cn1cc(C)n(-c2cc(C)on2)c1=O)[C@@H]1CCc2ccccc21 ZINC000125304384 1013977449 /nfs/dbraw/zinc/97/74/49/1013977449.db2.gz QXDKJWWLZRXVIX-LJQANCHMSA-N 1 2 362.433 2.824 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087817777 970394708 /nfs/dbraw/zinc/39/47/08/970394708.db2.gz IEMVPDYXTIOLKR-ZWKOTPCHSA-N 1 2 368.412 2.581 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087817777 970394716 /nfs/dbraw/zinc/39/47/16/970394716.db2.gz IEMVPDYXTIOLKR-ZWKOTPCHSA-N 1 2 368.412 2.581 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(CCC)no3)CC[C@@H]2C1 ZINC001088093364 972731423 /nfs/dbraw/zinc/73/14/23/972731423.db2.gz UDDJRPWADMKCJI-GQIGUUNPSA-N 1 2 360.502 2.905 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(CCC)no3)CC[C@@H]2C1 ZINC001088093364 972731429 /nfs/dbraw/zinc/73/14/29/972731429.db2.gz UDDJRPWADMKCJI-GQIGUUNPSA-N 1 2 360.502 2.905 20 30 FFEDLO CCc1ncsc1C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001075861292 974315846 /nfs/dbraw/zinc/31/58/46/974315846.db2.gz UAKYAJXOULEAQC-FUHWJXTLSA-N 1 2 366.490 2.924 20 30 FFEDLO CCc1ncsc1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001075861292 974315851 /nfs/dbraw/zinc/31/58/51/974315851.db2.gz UAKYAJXOULEAQC-FUHWJXTLSA-N 1 2 366.490 2.924 20 30 FFEDLO C[C@H](C#N)CN(C)C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000876379126 1014245453 /nfs/dbraw/zinc/24/54/53/1014245453.db2.gz GNADCHPCZZPUAU-QGZVFWFLSA-N 1 2 351.454 2.889 20 30 FFEDLO Cc1cc(C)c(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(F)ccc4C#N)C[C@H]32)[nH]1 ZINC001075951401 975540179 /nfs/dbraw/zinc/54/01/79/975540179.db2.gz STZDWVXOJNCCRC-QFBILLFUSA-N 1 2 366.440 2.989 20 30 FFEDLO Cc1cc(C)c(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(F)ccc4C#N)C[C@H]32)[nH]1 ZINC001075951401 975540184 /nfs/dbraw/zinc/54/01/84/975540184.db2.gz STZDWVXOJNCCRC-QFBILLFUSA-N 1 2 366.440 2.989 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000981186740 976312975 /nfs/dbraw/zinc/31/29/75/976312975.db2.gz ZFCGRGYVPFMMSF-QUCCMNQESA-N 1 2 371.456 2.713 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000981186740 976312986 /nfs/dbraw/zinc/31/29/86/976312986.db2.gz ZFCGRGYVPFMMSF-QUCCMNQESA-N 1 2 371.456 2.713 20 30 FFEDLO CC(C)c1ccccc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083509186 976634628 /nfs/dbraw/zinc/63/46/28/976634628.db2.gz SQZCPNHUIBLPPF-MOPGFXCFSA-N 1 2 369.490 2.718 20 30 FFEDLO CC(C)c1ccccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083509186 976634634 /nfs/dbraw/zinc/63/46/34/976634634.db2.gz SQZCPNHUIBLPPF-MOPGFXCFSA-N 1 2 369.490 2.718 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(-c2ccco2)on1 ZINC001028145922 976885652 /nfs/dbraw/zinc/88/56/52/976885652.db2.gz ZKQBVNDDXPSRGW-ZACQAIPSSA-N 1 2 371.437 2.606 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(-c2ccco2)on1 ZINC001028145922 976885663 /nfs/dbraw/zinc/88/56/63/976885663.db2.gz ZKQBVNDDXPSRGW-ZACQAIPSSA-N 1 2 371.437 2.606 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)nn1 ZINC000653536802 1014368998 /nfs/dbraw/zinc/36/89/98/1014368998.db2.gz IIHUFLXCHFVKGE-UHFFFAOYSA-N 1 2 365.441 2.679 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1coc(C2CC2)n1 ZINC001028195862 977099414 /nfs/dbraw/zinc/09/94/14/977099414.db2.gz XCDQGURSJDDOLP-BZSNNMDCSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1coc(C2CC2)n1 ZINC001028195862 977099424 /nfs/dbraw/zinc/09/94/24/977099424.db2.gz XCDQGURSJDDOLP-BZSNNMDCSA-N 1 2 359.470 2.614 20 30 FFEDLO CC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CCCCCC1 ZINC001083531707 977358047 /nfs/dbraw/zinc/35/80/47/977358047.db2.gz DDSKKMANHJMIGJ-SJORKVTESA-N 1 2 361.511 2.642 20 30 FFEDLO CC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CCCCCC1 ZINC001083531707 977358049 /nfs/dbraw/zinc/35/80/49/977358049.db2.gz DDSKKMANHJMIGJ-SJORKVTESA-N 1 2 361.511 2.642 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(F)nc3)[C@@H]2C1 ZINC001075622470 977424974 /nfs/dbraw/zinc/42/49/74/977424974.db2.gz XYXRGLIFLRPUBD-MAUKXSAKSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(F)nc3)[C@@H]2C1 ZINC001075622470 977424979 /nfs/dbraw/zinc/42/49/79/977424979.db2.gz XYXRGLIFLRPUBD-MAUKXSAKSA-N 1 2 368.387 2.578 20 30 FFEDLO C=C(C)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001087453390 977760881 /nfs/dbraw/zinc/76/08/81/977760881.db2.gz QIWLFWKWZGZQPU-AQNXPRMDSA-N 1 2 359.489 2.770 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC(F)(F)C3)[C@@H]2C1 ZINC001075671540 978230569 /nfs/dbraw/zinc/23/05/69/978230569.db2.gz OBTHVSQISSPKOS-SUMWQHHRSA-N 1 2 363.383 2.775 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)C3CC(F)(F)C3)[C@@H]2C1 ZINC001075671540 978230575 /nfs/dbraw/zinc/23/05/75/978230575.db2.gz OBTHVSQISSPKOS-SUMWQHHRSA-N 1 2 363.383 2.775 20 30 FFEDLO Cc1nsc(NC[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1C#N ZINC001060103413 979169308 /nfs/dbraw/zinc/16/93/08/979169308.db2.gz XKFWPRILYYNKQF-BFHYXJOUSA-N 1 2 370.482 2.501 20 30 FFEDLO Cc1nsc(NC[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1C#N ZINC001060103413 979169311 /nfs/dbraw/zinc/16/93/11/979169311.db2.gz XKFWPRILYYNKQF-BFHYXJOUSA-N 1 2 370.482 2.501 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4Cl)C[C@H]32)O1 ZINC001076267748 979293210 /nfs/dbraw/zinc/29/32/10/979293210.db2.gz HYEXJHIHFORVLC-MCYKXBRJSA-N 1 2 372.896 2.792 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4Cl)C[C@H]32)O1 ZINC001076267748 979293214 /nfs/dbraw/zinc/29/32/14/979293214.db2.gz HYEXJHIHFORVLC-MCYKXBRJSA-N 1 2 372.896 2.792 20 30 FFEDLO C[NH+](C)Cc1nc(CSCCNc2cncc(F)c2C#N)cs1 ZINC001168108125 979422375 /nfs/dbraw/zinc/42/23/75/979422375.db2.gz BFCNMDQTJDEQCH-UHFFFAOYSA-N 1 2 351.476 2.956 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cn(CCCC)nc3C)[C@@H]2C1 ZINC001076444528 979515608 /nfs/dbraw/zinc/51/56/08/979515608.db2.gz FUQQAUWIUJKCSF-DOTOQJQBSA-N 1 2 350.894 2.890 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(CCCC)nc3C)[C@@H]2C1 ZINC001076444528 979515615 /nfs/dbraw/zinc/51/56/15/979515615.db2.gz FUQQAUWIUJKCSF-DOTOQJQBSA-N 1 2 350.894 2.890 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)c3cccnc3)[C@@H]2C1 ZINC001076471894 979549702 /nfs/dbraw/zinc/54/97/02/979549702.db2.gz YXLNGMBSFQYJOI-CWRNSKLLSA-N 1 2 364.287 2.626 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)c3cccnc3)[C@@H]2C1 ZINC001076471894 979549711 /nfs/dbraw/zinc/54/97/11/979549711.db2.gz YXLNGMBSFQYJOI-CWRNSKLLSA-N 1 2 364.287 2.626 20 30 FFEDLO CCc1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)no1 ZINC001076475899 979555941 /nfs/dbraw/zinc/55/59/41/979555941.db2.gz LFNQOYUVXUOQTQ-IFXJQAMLSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)no1 ZINC001076475899 979555944 /nfs/dbraw/zinc/55/59/44/979555944.db2.gz LFNQOYUVXUOQTQ-IFXJQAMLSA-N 1 2 368.412 2.594 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(Cl)no3)[C@@H]2C1 ZINC001076486703 979571544 /nfs/dbraw/zinc/57/15/44/979571544.db2.gz NPNANEIBDLXXDF-LSDHHAIUSA-N 1 2 356.813 2.546 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(Cl)no3)[C@@H]2C1 ZINC001076486703 979571552 /nfs/dbraw/zinc/57/15/52/979571552.db2.gz NPNANEIBDLXXDF-LSDHHAIUSA-N 1 2 356.813 2.546 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)[C@@H]2C)co1 ZINC001088535313 980468336 /nfs/dbraw/zinc/46/83/36/980468336.db2.gz NUNGYMGQBOBMDL-DYVFJYSZSA-N 1 2 357.841 2.881 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)[C@@H]2C)co1 ZINC001088535313 980468343 /nfs/dbraw/zinc/46/83/43/980468343.db2.gz NUNGYMGQBOBMDL-DYVFJYSZSA-N 1 2 357.841 2.881 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(CC)n3)[C@@H]2C1 ZINC001075890113 980762088 /nfs/dbraw/zinc/76/20/88/980762088.db2.gz OKPBATSGIJEPOC-XJKSGUPXSA-N 1 2 364.287 2.699 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(CC)n3)[C@@H]2C1 ZINC001075890113 980762090 /nfs/dbraw/zinc/76/20/90/980762090.db2.gz OKPBATSGIJEPOC-XJKSGUPXSA-N 1 2 364.287 2.699 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000907163937 981203960 /nfs/dbraw/zinc/20/39/60/981203960.db2.gz HSZGTEQPHFUGED-UHFFFAOYSA-N 1 2 369.490 2.769 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001088576016 981231833 /nfs/dbraw/zinc/23/18/33/981231833.db2.gz RQOGNAHYHJMAML-FCDRMGDPSA-N 1 2 371.456 2.758 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001088576016 981231836 /nfs/dbraw/zinc/23/18/36/981231836.db2.gz RQOGNAHYHJMAML-FCDRMGDPSA-N 1 2 371.456 2.758 20 30 FFEDLO CC(=O)N1CCN(c2ccc([NH2+][C@@H](C)CC3(C#N)CCOCC3)cc2)CC1 ZINC000877775424 1014723575 /nfs/dbraw/zinc/72/35/75/1014723575.db2.gz VDFTZUQTTBPFRM-KRWDZBQOSA-N 1 2 370.497 2.866 20 30 FFEDLO CCn1ncc(Cl)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088590483 981340594 /nfs/dbraw/zinc/34/05/94/981340594.db2.gz DKHBLUYGXXGYPO-DYVFJYSZSA-N 1 2 371.872 2.821 20 30 FFEDLO CCn1ncc(Cl)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088590483 981340601 /nfs/dbraw/zinc/34/06/01/981340601.db2.gz DKHBLUYGXXGYPO-DYVFJYSZSA-N 1 2 371.872 2.821 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(Br)c2)C[C@H]1OC ZINC001212022196 981457846 /nfs/dbraw/zinc/45/78/46/981457846.db2.gz FGPGGFHBRFOLRT-HZPDHXFCSA-N 1 2 367.287 2.731 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(Br)c2)C[C@H]1OC ZINC001212022196 981457848 /nfs/dbraw/zinc/45/78/48/981457848.db2.gz FGPGGFHBRFOLRT-HZPDHXFCSA-N 1 2 367.287 2.731 20 30 FFEDLO C=CCn1c([C@H]2CCO[C@@H]2C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000908690261 981498728 /nfs/dbraw/zinc/49/87/28/981498728.db2.gz KLJFZRLLBSBCQL-WBVHZDCISA-N 1 2 368.485 2.832 20 30 FFEDLO CCc1[nH]nc(Cl)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088615041 981562807 /nfs/dbraw/zinc/56/28/07/981562807.db2.gz TXDJDRJEFAFYGL-WBMJQRKESA-N 1 2 371.872 2.890 20 30 FFEDLO CCc1[nH]nc(Cl)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088615041 981562809 /nfs/dbraw/zinc/56/28/09/981562809.db2.gz TXDJDRJEFAFYGL-WBMJQRKESA-N 1 2 371.872 2.890 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000963998254 1014923200 /nfs/dbraw/zinc/92/32/00/1014923200.db2.gz UKCDUKCQVBRNQA-QBPKDAKJSA-N 1 2 370.497 2.661 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000963998254 1014923218 /nfs/dbraw/zinc/92/32/18/1014923218.db2.gz UKCDUKCQVBRNQA-QBPKDAKJSA-N 1 2 370.497 2.661 20 30 FFEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2c1 ZINC000151386904 984273407 /nfs/dbraw/zinc/27/34/07/984273407.db2.gz ZUVUHZOIRYXYRQ-JXMROGBWSA-N 1 2 369.446 2.789 20 30 FFEDLO CC(C)c1nnc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@H](C)C#N)CCC[C@@H]23)s1 ZINC001107336660 984460252 /nfs/dbraw/zinc/46/02/52/984460252.db2.gz PPGNLOQFSPXPNB-HBUWYVDXSA-N 1 2 361.515 2.682 20 30 FFEDLO CC(C)c1nnc(C[N@H+]2CC[C@@]3(CNC(=O)[C@H](C)C#N)CCC[C@@H]23)s1 ZINC001107336660 984460254 /nfs/dbraw/zinc/46/02/54/984460254.db2.gz PPGNLOQFSPXPNB-HBUWYVDXSA-N 1 2 361.515 2.682 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncnn1CCC)CC2 ZINC001107502422 984611160 /nfs/dbraw/zinc/61/11/60/984611160.db2.gz HLCONQVLZFWFOF-OXQOHEQNSA-N 1 2 359.518 2.761 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncnn1CCC)CC2 ZINC001107502422 984611162 /nfs/dbraw/zinc/61/11/62/984611162.db2.gz HLCONQVLZFWFOF-OXQOHEQNSA-N 1 2 359.518 2.761 20 30 FFEDLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@H]1COC(=O)Cc1ccccc1CC#N ZINC000761108093 984792137 /nfs/dbraw/zinc/79/21/37/984792137.db2.gz HOTPWJLNSGXQGH-SFHVURJKSA-N 1 2 372.465 2.644 20 30 FFEDLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@H]1COC(=O)Cc1ccccc1CC#N ZINC000761108093 984792141 /nfs/dbraw/zinc/79/21/41/984792141.db2.gz HOTPWJLNSGXQGH-SFHVURJKSA-N 1 2 372.465 2.644 20 30 FFEDLO Cc1cc[nH+]c(N2CCN(Cn3ccc(-c4ccc(C#N)cc4)n3)CC2)c1 ZINC000765140572 984971365 /nfs/dbraw/zinc/97/13/65/984971365.db2.gz YEQQBTIUMDYELW-UHFFFAOYSA-N 1 2 358.449 2.905 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)[C@@H]2C)c1 ZINC001088846197 984976245 /nfs/dbraw/zinc/97/62/45/984976245.db2.gz ABQPDIALNBXEFR-YJYMSZOUSA-N 1 2 355.388 2.734 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)[C@@H]2C)c1 ZINC001088846197 984976250 /nfs/dbraw/zinc/97/62/50/984976250.db2.gz ABQPDIALNBXEFR-YJYMSZOUSA-N 1 2 355.388 2.734 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc(C)cs2)[C@@H]1C ZINC001088908744 985419033 /nfs/dbraw/zinc/41/90/33/985419033.db2.gz PLBQVIYANDKOBC-CVYDXHPNSA-N 1 2 363.527 2.902 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)cs2)[C@@H]1C ZINC001088908744 985419038 /nfs/dbraw/zinc/41/90/38/985419038.db2.gz PLBQVIYANDKOBC-CVYDXHPNSA-N 1 2 363.527 2.902 20 30 FFEDLO COC(=O)c1cc(C#N)cc(C)c1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212368784 985573277 /nfs/dbraw/zinc/57/32/77/985573277.db2.gz LEAQKEBGBPTLEE-UHFFFAOYSA-N 1 2 352.394 2.629 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]nc2C2CC2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088954222 985598868 /nfs/dbraw/zinc/59/88/68/985598868.db2.gz NOPYRCCASJINGM-XIKOKIGWSA-N 1 2 367.428 2.691 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]nc2C2CC2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088954222 985598879 /nfs/dbraw/zinc/59/88/79/985598879.db2.gz NOPYRCCASJINGM-XIKOKIGWSA-N 1 2 367.428 2.691 20 30 FFEDLO C[C@@H]1[C@@H](C)[N@H+](C[C@H](O)c2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC001168605442 985783655 /nfs/dbraw/zinc/78/36/55/985783655.db2.gz WUBHQQHCWRAGBW-RKVPGOIHSA-N 1 2 359.470 2.921 20 30 FFEDLO C[C@@H]1[C@@H](C)[N@@H+](C[C@H](O)c2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC001168605442 985783669 /nfs/dbraw/zinc/78/36/69/985783669.db2.gz WUBHQQHCWRAGBW-RKVPGOIHSA-N 1 2 359.470 2.921 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)CC(F)F ZINC001212397575 986060961 /nfs/dbraw/zinc/06/09/61/986060961.db2.gz OFPDODKLPPUHCU-IAGOWNOFSA-N 1 2 364.436 2.535 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)CC(F)F ZINC001212397575 986060974 /nfs/dbraw/zinc/06/09/74/986060974.db2.gz OFPDODKLPPUHCU-IAGOWNOFSA-N 1 2 364.436 2.535 20 30 FFEDLO Cc1ncsc1C[NH+]1CC2(CN(C(=O)[C@H](C#N)Cc3cccs3)C2)C1 ZINC001272450671 986746742 /nfs/dbraw/zinc/74/67/42/986746742.db2.gz WETNHXMOZNLMBU-AWEZNQCLSA-N 1 2 372.519 2.540 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC001002847803 987532029 /nfs/dbraw/zinc/53/20/29/987532029.db2.gz DTBWCDDXUVBKFW-SJORKVTESA-N 1 2 359.470 2.614 20 30 FFEDLO C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001002906388 987606727 /nfs/dbraw/zinc/60/67/27/987606727.db2.gz ZITZUXMXPREVFL-ZACQAIPSSA-N 1 2 366.465 2.717 20 30 FFEDLO Cc1ccc(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c(N(C)C)[nH+]1 ZINC000761892435 987965252 /nfs/dbraw/zinc/96/52/52/987965252.db2.gz UAKVXKGPSNQGBL-GOSISDBHSA-N 1 2 365.437 2.933 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033087189 988767977 /nfs/dbraw/zinc/76/79/77/988767977.db2.gz SEPBLYPRDPZAFP-ZCNNSNEGSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033087189 988767984 /nfs/dbraw/zinc/76/79/84/988767984.db2.gz SEPBLYPRDPZAFP-ZCNNSNEGSA-N 1 2 371.456 2.711 20 30 FFEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000125517670 988967499 /nfs/dbraw/zinc/96/74/99/988967499.db2.gz XKVWFYCXFJPELB-GOSISDBHSA-N 1 2 366.465 2.954 20 30 FFEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000125517670 988967506 /nfs/dbraw/zinc/96/75/06/988967506.db2.gz XKVWFYCXFJPELB-GOSISDBHSA-N 1 2 366.465 2.954 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)c(F)c1 ZINC001007975249 1015437841 /nfs/dbraw/zinc/43/78/41/1015437841.db2.gz DWCHVXLGXIUJKD-HLNWXESRSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)c(F)c1 ZINC001007975249 1015437848 /nfs/dbraw/zinc/43/78/48/1015437848.db2.gz DWCHVXLGXIUJKD-HLNWXESRSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)Cc3cccnc3N2C1 ZINC000879267953 1015447762 /nfs/dbraw/zinc/44/77/62/1015447762.db2.gz BHPXGFQWIRHCIF-QZTJIDSGSA-N 1 2 352.413 2.702 20 30 FFEDLO CO[C@@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)Cc3cccnc3N2C1 ZINC000879267953 1015447767 /nfs/dbraw/zinc/44/77/67/1015447767.db2.gz BHPXGFQWIRHCIF-QZTJIDSGSA-N 1 2 352.413 2.702 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000132815293 989325454 /nfs/dbraw/zinc/32/54/54/989325454.db2.gz NIMWLEJUZPZBCE-VQTJNVASSA-N 1 2 357.404 2.881 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC001033498816 989628515 /nfs/dbraw/zinc/62/85/15/989628515.db2.gz DQSZDAKNYSFJDD-GJYPPUQNSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ncc(C(C)C)o2)C1 ZINC001033498816 989628520 /nfs/dbraw/zinc/62/85/20/989628520.db2.gz DQSZDAKNYSFJDD-GJYPPUQNSA-N 1 2 361.486 2.812 20 30 FFEDLO COc1nc(N)nc(N2CCCC2)c1C=[NH+]Nc1cccc2ncccc21 ZINC000915964229 989722232 /nfs/dbraw/zinc/72/22/32/989722232.db2.gz XJTVQRIDJBOLNY-UHFFFAOYSA-N 1 2 363.425 2.662 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2ncc(C(C)C)o2)C1 ZINC001033959498 989859434 /nfs/dbraw/zinc/85/94/34/989859434.db2.gz DGSVTIZUFMLGQA-BBWFWOEESA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC001033959498 989859444 /nfs/dbraw/zinc/85/94/44/989859444.db2.gz DGSVTIZUFMLGQA-BBWFWOEESA-N 1 2 361.486 2.812 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ccc(F)c(F)c3)C[C@@H]2O)CC1 ZINC001083751288 989974219 /nfs/dbraw/zinc/97/42/19/989974219.db2.gz OXVYWYBZVMZHKH-BKTGTZMESA-N 1 2 364.436 2.934 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ccc(F)c(F)c3)C[C@@H]2O)CC1 ZINC001083751288 989974224 /nfs/dbraw/zinc/97/42/24/989974224.db2.gz OXVYWYBZVMZHKH-BKTGTZMESA-N 1 2 364.436 2.934 20 30 FFEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001108158687 990256845 /nfs/dbraw/zinc/25/68/45/990256845.db2.gz HZBUQKVZNWWTHE-XNJGSVPQSA-N 1 2 354.903 2.898 20 30 FFEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001108158687 990256852 /nfs/dbraw/zinc/25/68/52/990256852.db2.gz HZBUQKVZNWWTHE-XNJGSVPQSA-N 1 2 354.903 2.898 20 30 FFEDLO C[C@H](NC(=O)N1C[C@@H](C)N(CC#N)[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000920875903 990929581 /nfs/dbraw/zinc/92/95/81/990929581.db2.gz TXZULNRUPZAPFT-ZACQAIPSSA-N 1 2 366.469 2.561 20 30 FFEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)c(F)c1 ZINC001031685046 990984592 /nfs/dbraw/zinc/98/45/92/990984592.db2.gz MDFYHGSCRZFIPI-DKSSEZFCSA-N 1 2 353.441 2.848 20 30 FFEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)cc1F ZINC001031685466 990985637 /nfs/dbraw/zinc/98/56/37/990985637.db2.gz YWGDACGQVVFTKL-DKSSEZFCSA-N 1 2 353.441 2.848 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(COc3ccccc3OC)o2)CC1 ZINC000064443722 991169932 /nfs/dbraw/zinc/16/99/32/991169932.db2.gz ZQXLYFSAXHUUEM-UHFFFAOYSA-N 1 2 368.433 2.648 20 30 FFEDLO C=C(Br)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001089644692 991240750 /nfs/dbraw/zinc/24/07/50/991240750.db2.gz LHUONLQPXYIBRE-VBQJREDUSA-N 1 2 371.319 2.538 20 30 FFEDLO C=C(Br)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001089644692 991240754 /nfs/dbraw/zinc/24/07/54/991240754.db2.gz LHUONLQPXYIBRE-VBQJREDUSA-N 1 2 371.319 2.538 20 30 FFEDLO CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3cn[nH]c32)[C@H](OC)C1 ZINC001212281861 991478448 /nfs/dbraw/zinc/47/84/48/991478448.db2.gz DRAMFRRMTSFMAL-RCCFBDPRSA-N 1 2 362.518 2.615 20 30 FFEDLO CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3cn[nH]c32)[C@H](OC)C1 ZINC001212281861 991478451 /nfs/dbraw/zinc/47/84/51/991478451.db2.gz DRAMFRRMTSFMAL-RCCFBDPRSA-N 1 2 362.518 2.615 20 30 FFEDLO CCC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001212325523 991686993 /nfs/dbraw/zinc/68/69/93/991686993.db2.gz ZRXJHAXAZAGHEH-RTBURBONSA-N 1 2 360.473 2.819 20 30 FFEDLO CCC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001212325523 991686999 /nfs/dbraw/zinc/68/69/99/991686999.db2.gz ZRXJHAXAZAGHEH-RTBURBONSA-N 1 2 360.473 2.819 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@H]21 ZINC001090350559 991738930 /nfs/dbraw/zinc/73/89/30/991738930.db2.gz LICBMRBEFHTXAO-ZWKOTPCHSA-N 1 2 352.482 2.893 20 30 FFEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001008598188 1015675664 /nfs/dbraw/zinc/67/56/64/1015675664.db2.gz LZZANPLQHDSDIJ-WTGUMLROSA-N 1 2 372.896 2.840 20 30 FFEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001008598188 1015675667 /nfs/dbraw/zinc/67/56/67/1015675667.db2.gz LZZANPLQHDSDIJ-WTGUMLROSA-N 1 2 372.896 2.840 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]Cc2cnon2)C1 ZINC001079306590 992008048 /nfs/dbraw/zinc/00/80/48/992008048.db2.gz ZWIQCBPOFBTYQA-DOTOQJQBSA-N 1 2 358.417 2.505 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2c(F)cccc2Cl)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079594058 992246159 /nfs/dbraw/zinc/24/61/59/992246159.db2.gz WYKTZQQUKOMOJB-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2c(F)cccc2Cl)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079594058 992246168 /nfs/dbraw/zinc/24/61/68/992246168.db2.gz WYKTZQQUKOMOJB-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO Cc1nscc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001079597479 992248433 /nfs/dbraw/zinc/24/84/33/992248433.db2.gz QUBRPGLSMXETJN-PIGZYNQJSA-N 1 2 358.442 2.713 20 30 FFEDLO Cc1nscc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001079597479 992248437 /nfs/dbraw/zinc/24/84/37/992248437.db2.gz QUBRPGLSMXETJN-PIGZYNQJSA-N 1 2 358.442 2.713 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2NC(C)=O)C1 ZINC001079807647 992460753 /nfs/dbraw/zinc/46/07/53/992460753.db2.gz IWRLZUJKKLMYGW-QLJPJBMISA-N 1 2 353.825 2.587 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2NC(C)=O)C1 ZINC001079807647 992460756 /nfs/dbraw/zinc/46/07/56/992460756.db2.gz IWRLZUJKKLMYGW-QLJPJBMISA-N 1 2 353.825 2.587 20 30 FFEDLO CCc1[nH]nc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)c1Cl ZINC001079874860 992518188 /nfs/dbraw/zinc/51/81/88/992518188.db2.gz JHPBLPLBLVEZQB-MLGOLLRUSA-N 1 2 371.872 2.747 20 30 FFEDLO CCc1[nH]nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)c1Cl ZINC001079874860 992518198 /nfs/dbraw/zinc/51/81/98/992518198.db2.gz JHPBLPLBLVEZQB-MLGOLLRUSA-N 1 2 371.872 2.747 20 30 FFEDLO C=C1CC(C(=O)N2CCC[C@]3(C2)C[N@H+](Cc2scnc2C)CCO3)C1 ZINC001272709070 992524871 /nfs/dbraw/zinc/52/48/71/992524871.db2.gz KFJTZGITHRKPPR-LJQANCHMSA-N 1 2 361.511 2.611 20 30 FFEDLO C=C1CC(C(=O)N2CCC[C@]3(C2)C[N@@H+](Cc2scnc2C)CCO3)C1 ZINC001272709070 992524882 /nfs/dbraw/zinc/52/48/82/992524882.db2.gz KFJTZGITHRKPPR-LJQANCHMSA-N 1 2 361.511 2.611 20 30 FFEDLO C=CCC1(C(=O)N(CC)C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCC1 ZINC001080069537 992703712 /nfs/dbraw/zinc/70/37/12/992703712.db2.gz QFGSZUFUSUXQPB-IAGOWNOFSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCC1(C(=O)N(CC)C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCC1 ZINC001080069537 992703718 /nfs/dbraw/zinc/70/37/18/992703718.db2.gz QFGSZUFUSUXQPB-IAGOWNOFSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COc3ccc(F)cc3C2)C1 ZINC001080120832 992757433 /nfs/dbraw/zinc/75/74/33/992757433.db2.gz CTGVCTDIMCDYHY-DIOULYMOSA-N 1 2 352.837 2.566 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COc3ccc(F)cc3C2)C1 ZINC001080120832 992757443 /nfs/dbraw/zinc/75/74/43/992757443.db2.gz CTGVCTDIMCDYHY-DIOULYMOSA-N 1 2 352.837 2.566 20 30 FFEDLO CCc1nocc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC001080397189 993026808 /nfs/dbraw/zinc/02/68/08/993026808.db2.gz QMSQACKOLTWNFQ-AUUYWEPGSA-N 1 2 371.868 2.992 20 30 FFEDLO CCc1nocc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC001080397189 993026813 /nfs/dbraw/zinc/02/68/13/993026813.db2.gz QMSQACKOLTWNFQ-AUUYWEPGSA-N 1 2 371.868 2.992 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2csc(C3CC3)n2)C[C@H]1C ZINC001080471049 993076293 /nfs/dbraw/zinc/07/62/93/993076293.db2.gz MJFGVUNPMVQRLG-YYQUZTFQSA-N 1 2 361.511 2.548 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2csc(C3CC3)n2)C[C@H]1C ZINC001080471049 993076301 /nfs/dbraw/zinc/07/63/01/993076301.db2.gz MJFGVUNPMVQRLG-YYQUZTFQSA-N 1 2 361.511 2.548 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cc(C2CC2)no1 ZINC001080535265 993145999 /nfs/dbraw/zinc/14/59/99/993145999.db2.gz DFRHABKBXLFHJB-AUUYWEPGSA-N 1 2 367.424 2.793 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cc(C2CC2)no1 ZINC001080535265 993146002 /nfs/dbraw/zinc/14/60/02/993146002.db2.gz DFRHABKBXLFHJB-AUUYWEPGSA-N 1 2 367.424 2.793 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)o1 ZINC001080724886 993334138 /nfs/dbraw/zinc/33/41/38/993334138.db2.gz QFVNIKWSAXTYFL-RDTXWAMCSA-N 1 2 369.440 2.786 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)o1 ZINC001080724886 993334146 /nfs/dbraw/zinc/33/41/46/993334146.db2.gz QFVNIKWSAXTYFL-RDTXWAMCSA-N 1 2 369.440 2.786 20 30 FFEDLO COCc1ccsc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001080777877 993356095 /nfs/dbraw/zinc/35/60/95/993356095.db2.gz KETVJYBHCJWQTQ-VQIMIIECSA-N 1 2 368.502 2.996 20 30 FFEDLO COCc1ccsc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001080777877 993356098 /nfs/dbraw/zinc/35/60/98/993356098.db2.gz KETVJYBHCJWQTQ-VQIMIIECSA-N 1 2 368.502 2.996 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001080852780 993415969 /nfs/dbraw/zinc/41/59/69/993415969.db2.gz UTGJRDAVLUJEDP-VQIMIIECSA-N 1 2 365.477 2.959 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001080852780 993415972 /nfs/dbraw/zinc/41/59/72/993415972.db2.gz UTGJRDAVLUJEDP-VQIMIIECSA-N 1 2 365.477 2.959 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001080923604 993504184 /nfs/dbraw/zinc/50/41/84/993504184.db2.gz JPTDXTXXQRXGRM-SJKOYZFVSA-N 1 2 370.428 2.807 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001080923604 993504188 /nfs/dbraw/zinc/50/41/88/993504188.db2.gz JPTDXTXXQRXGRM-SJKOYZFVSA-N 1 2 370.428 2.807 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001081159885 993707797 /nfs/dbraw/zinc/70/77/97/993707797.db2.gz IBKPCPDZIXXRJI-DLBZAZTESA-N 1 2 368.481 2.928 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C(C)=C1CCCC1 ZINC001081515688 993864271 /nfs/dbraw/zinc/86/42/71/993864271.db2.gz GORAWNHALSYJJT-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C(C)=C1CCCC1 ZINC001081515688 993864282 /nfs/dbraw/zinc/86/42/82/993864282.db2.gz GORAWNHALSYJJT-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)C1=CCCC1 ZINC001081527397 993869428 /nfs/dbraw/zinc/86/94/28/993869428.db2.gz XKKOBKNITYZFBX-RTBURBONSA-N 1 2 358.869 2.617 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)C1=CCCC1 ZINC001081527397 993869436 /nfs/dbraw/zinc/86/94/36/993869436.db2.gz XKKOBKNITYZFBX-RTBURBONSA-N 1 2 358.869 2.617 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001081933610 994055282 /nfs/dbraw/zinc/05/52/82/994055282.db2.gz MALRZMKUPRVHET-UAFMIMERSA-N 1 2 372.484 2.675 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001081933610 994055292 /nfs/dbraw/zinc/05/52/92/994055292.db2.gz MALRZMKUPRVHET-UAFMIMERSA-N 1 2 372.484 2.675 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[C@@H]1CC=CCC1 ZINC001082028943 994126369 /nfs/dbraw/zinc/12/63/69/994126369.db2.gz BRDZCOFAZHHPIO-ZTFGCOKTSA-N 1 2 359.495 2.682 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[C@@H]1CC=CCC1 ZINC001082028943 994126377 /nfs/dbraw/zinc/12/63/77/994126377.db2.gz BRDZCOFAZHHPIO-ZTFGCOKTSA-N 1 2 359.495 2.682 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[C@@H]1CC=CCC1 ZINC001082029074 994126878 /nfs/dbraw/zinc/12/68/78/994126878.db2.gz GYAIGYQIOCUWMW-CDHQVMDDSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[C@@H]1CC=CCC1 ZINC001082029074 994126882 /nfs/dbraw/zinc/12/68/82/994126882.db2.gz GYAIGYQIOCUWMW-CDHQVMDDSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2OC)CC1 ZINC001082096886 994154416 /nfs/dbraw/zinc/15/44/16/994154416.db2.gz JUDNVQRMPCPVRK-WOJBJXKFSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2OC)CC1 ZINC001082096886 994154421 /nfs/dbraw/zinc/15/44/21/994154421.db2.gz JUDNVQRMPCPVRK-WOJBJXKFSA-N 1 2 371.456 2.759 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3cccc(F)c3)CC2)nc1 ZINC000808731589 994244111 /nfs/dbraw/zinc/24/41/11/994244111.db2.gz ANFRKHUJDZWWAI-UHFFFAOYSA-N 1 2 373.453 2.746 20 30 FFEDLO N#CC1(OCCOC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000809083794 994384478 /nfs/dbraw/zinc/38/44/78/994384478.db2.gz NMESPPQAVNNUQG-LJQANCHMSA-N 1 2 372.465 2.674 20 30 FFEDLO N#CC1(OCCOC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000809083794 994384487 /nfs/dbraw/zinc/38/44/87/994384487.db2.gz NMESPPQAVNNUQG-LJQANCHMSA-N 1 2 372.465 2.674 20 30 FFEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(OC)cc3OC)CC2)cc1 ZINC000809550623 994545489 /nfs/dbraw/zinc/54/54/89/994545489.db2.gz VCJOVXHQFBTPNC-UHFFFAOYSA-N 1 2 364.445 2.643 20 30 FFEDLO N#Cc1ccc(OCCOC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000810579453 994829672 /nfs/dbraw/zinc/82/96/72/994829672.db2.gz OYRGBOUKLNTJHC-UHFFFAOYSA-N 1 2 361.401 2.968 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2nc(C3CC3)no2)C1 ZINC001082560740 994938073 /nfs/dbraw/zinc/93/80/73/994938073.db2.gz RFUODDIBLZSVGV-IJEWVQPXSA-N 1 2 369.469 2.746 20 30 FFEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccc(F)cc1 ZINC000812933966 995581002 /nfs/dbraw/zinc/58/10/02/995581002.db2.gz OKYZHNDWVGHMNO-UZLBHIALSA-N 1 2 366.440 2.983 20 30 FFEDLO Cc1noc(C)c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001096531956 1015987459 /nfs/dbraw/zinc/98/74/59/1015987459.db2.gz XYBKZXIVPMRTMM-HOJAQTOUSA-N 1 2 364.449 2.627 20 30 FFEDLO Cc1noc(C)c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001096531956 1015987465 /nfs/dbraw/zinc/98/74/65/1015987465.db2.gz XYBKZXIVPMRTMM-HOJAQTOUSA-N 1 2 364.449 2.627 20 30 FFEDLO O=C(C1CCCCC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001082984912 995974076 /nfs/dbraw/zinc/97/40/76/995974076.db2.gz BIDKWWDNGDQBHB-LEWJYISDSA-N 1 2 352.478 2.530 20 30 FFEDLO O=C(C1CCCCC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001082984912 995974082 /nfs/dbraw/zinc/97/40/82/995974082.db2.gz BIDKWWDNGDQBHB-LEWJYISDSA-N 1 2 352.478 2.530 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C4CCCC4)cc3)[C@H]2C1 ZINC001083144859 996105441 /nfs/dbraw/zinc/10/54/41/996105441.db2.gz DKMGTSWVHORPHR-LEWJYISDSA-N 1 2 352.478 2.893 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C4CCCC4)cc3)[C@H]2C1 ZINC001083144859 996105442 /nfs/dbraw/zinc/10/54/42/996105442.db2.gz DKMGTSWVHORPHR-LEWJYISDSA-N 1 2 352.478 2.893 20 30 FFEDLO CC1(C)CCCC[C@H]1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001084126955 996265249 /nfs/dbraw/zinc/26/52/49/996265249.db2.gz PFVQJZWHEVJESK-ZCNNSNEGSA-N 1 2 369.509 2.826 20 30 FFEDLO CC1(C)CCCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001084126955 996265253 /nfs/dbraw/zinc/26/52/53/996265253.db2.gz PFVQJZWHEVJESK-ZCNNSNEGSA-N 1 2 369.509 2.826 20 30 FFEDLO Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001084233203 996383774 /nfs/dbraw/zinc/38/37/74/996383774.db2.gz WYVAIKYZNVFQHS-XNRPHZJLSA-N 1 2 370.478 2.904 20 30 FFEDLO Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001084233203 996383777 /nfs/dbraw/zinc/38/37/77/996383777.db2.gz WYVAIKYZNVFQHS-XNRPHZJLSA-N 1 2 370.478 2.904 20 30 FFEDLO Cc1cccnc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084263769 996408803 /nfs/dbraw/zinc/40/88/03/996408803.db2.gz UXHANZQOFRZDSD-RHSMWYFYSA-N 1 2 352.463 2.670 20 30 FFEDLO Cc1cccnc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084263769 996408807 /nfs/dbraw/zinc/40/88/07/996408807.db2.gz UXHANZQOFRZDSD-RHSMWYFYSA-N 1 2 352.463 2.670 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Oc3cccc(F)c3)[C@@H]2C1 ZINC001084365641 996491017 /nfs/dbraw/zinc/49/10/17/996491017.db2.gz KQWHBRRPAACBAA-CKEIUWERSA-N 1 2 352.837 2.878 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Oc3cccc(F)c3)[C@@H]2C1 ZINC001084365641 996491020 /nfs/dbraw/zinc/49/10/20/996491020.db2.gz KQWHBRRPAACBAA-CKEIUWERSA-N 1 2 352.837 2.878 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4ccccc4)[C@@H]3C2)c(F)c1 ZINC001084459799 996570427 /nfs/dbraw/zinc/57/04/27/996570427.db2.gz XIDCIQIQGHKKEP-TZIWHRDSSA-N 1 2 363.436 2.973 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4ccccc4)[C@@H]3C2)c(F)c1 ZINC001084459799 996570428 /nfs/dbraw/zinc/57/04/28/996570428.db2.gz XIDCIQIQGHKKEP-TZIWHRDSSA-N 1 2 363.436 2.973 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cnc4ccccc43)[C@@H]2C1 ZINC001084498961 996622062 /nfs/dbraw/zinc/62/20/62/996622062.db2.gz PAUJNMMASIRLSR-CRAIPNDOSA-N 1 2 358.873 2.712 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cnc4ccccc43)[C@@H]2C1 ZINC001084498961 996622069 /nfs/dbraw/zinc/62/20/69/996622069.db2.gz PAUJNMMASIRLSR-CRAIPNDOSA-N 1 2 358.873 2.712 20 30 FFEDLO Cn1cc(Cl)cc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084502946 996627034 /nfs/dbraw/zinc/62/70/34/996627034.db2.gz JLTDUFYFSPUACB-VQIMIIECSA-N 1 2 368.868 2.897 20 30 FFEDLO Cn1cc(Cl)cc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084502946 996627037 /nfs/dbraw/zinc/62/70/37/996627037.db2.gz JLTDUFYFSPUACB-VQIMIIECSA-N 1 2 368.868 2.897 20 30 FFEDLO CC(C)n1cnc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)c1 ZINC001084547976 996667150 /nfs/dbraw/zinc/66/71/50/996667150.db2.gz VZDJFTFBMPHPHB-RDTXWAMCSA-N 1 2 369.494 2.744 20 30 FFEDLO CC(C)n1cnc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)c1 ZINC001084547976 996667151 /nfs/dbraw/zinc/66/71/51/996667151.db2.gz VZDJFTFBMPHPHB-RDTXWAMCSA-N 1 2 369.494 2.744 20 30 FFEDLO CO[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21)C1CCC1 ZINC001084552826 996671742 /nfs/dbraw/zinc/67/17/42/996671742.db2.gz QYRUMKXDMMNLHQ-RLLQIKCJSA-N 1 2 371.456 2.545 20 30 FFEDLO CO[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21)C1CCC1 ZINC001084552826 996671745 /nfs/dbraw/zinc/67/17/45/996671745.db2.gz QYRUMKXDMMNLHQ-RLLQIKCJSA-N 1 2 371.456 2.545 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c(C)csc4n3)[C@@H]2C1 ZINC001084570764 996683996 /nfs/dbraw/zinc/68/39/96/996683996.db2.gz SMDQENVYWXXKJL-UKRRQHHQSA-N 1 2 364.902 2.532 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c(C)csc4n3)[C@@H]2C1 ZINC001084570764 996684000 /nfs/dbraw/zinc/68/40/00/996684000.db2.gz SMDQENVYWXXKJL-UKRRQHHQSA-N 1 2 364.902 2.532 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(OC)ns4)C[C@H]32)CC1 ZINC001084634401 996747320 /nfs/dbraw/zinc/74/73/20/996747320.db2.gz OVCSTFNUYDUWTN-NVXWUHKLSA-N 1 2 361.511 2.931 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(OC)ns4)C[C@H]32)CC1 ZINC001084634401 996747323 /nfs/dbraw/zinc/74/73/23/996747323.db2.gz OVCSTFNUYDUWTN-NVXWUHKLSA-N 1 2 361.511 2.931 20 30 FFEDLO Cc1ccoc1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084646751 996758746 /nfs/dbraw/zinc/75/87/46/996758746.db2.gz VYHLEKUZNSMDHO-IEBWSBKVSA-N 1 2 367.424 2.874 20 30 FFEDLO Cc1ccoc1CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084646751 996758747 /nfs/dbraw/zinc/75/87/47/996758747.db2.gz VYHLEKUZNSMDHO-IEBWSBKVSA-N 1 2 367.424 2.874 20 30 FFEDLO CCOC(=O)c1c[nH+]c(NC(=N)c2ccc3ccccc3n2)cc1N(C)C ZINC001171039595 996769366 /nfs/dbraw/zinc/76/93/66/996769366.db2.gz JVTIWMULCAUDOQ-UHFFFAOYSA-N 1 2 363.421 2.910 20 30 FFEDLO Cc1cc(F)c(C#N)cc1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000880992289 1016066055 /nfs/dbraw/zinc/06/60/55/1016066055.db2.gz GNZOUJPKMMOIHQ-MRXNPFEDSA-N 1 2 360.433 2.724 20 30 FFEDLO CC(C)n1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)n1 ZINC001084695784 996952350 /nfs/dbraw/zinc/95/23/50/996952350.db2.gz JGSHRDMKCYSEPG-RDTXWAMCSA-N 1 2 369.494 2.744 20 30 FFEDLO CC(C)n1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)n1 ZINC001084695784 996952362 /nfs/dbraw/zinc/95/23/62/996952362.db2.gz JGSHRDMKCYSEPG-RDTXWAMCSA-N 1 2 369.494 2.744 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1C[C@@H](c2ccccc2)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001090852508 997294609 /nfs/dbraw/zinc/29/46/09/997294609.db2.gz GFDJNMJRPYPXDI-UEXGIBASSA-N 1 2 366.465 2.519 20 30 FFEDLO CO[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21)C1CCCC1 ZINC001084801335 997431572 /nfs/dbraw/zinc/43/15/72/997431572.db2.gz UPOJTFFGPOSYPE-NJYVYQBISA-N 1 2 367.493 2.796 20 30 FFEDLO CO[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21)C1CCCC1 ZINC001084801335 997431580 /nfs/dbraw/zinc/43/15/80/997431580.db2.gz UPOJTFFGPOSYPE-NJYVYQBISA-N 1 2 367.493 2.796 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(OC)c(OC(F)(F)F)c2)CC1 ZINC001143880099 997772252 /nfs/dbraw/zinc/77/22/52/997772252.db2.gz HUHVVZGELJXHOC-UHFFFAOYSA-N 1 2 372.343 2.873 20 30 FFEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844329656 997788466 /nfs/dbraw/zinc/78/84/66/997788466.db2.gz JMYDEULTDBOLBT-MRXNPFEDSA-N 1 2 360.414 2.956 20 30 FFEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844329656 997788478 /nfs/dbraw/zinc/78/84/78/997788478.db2.gz JMYDEULTDBOLBT-MRXNPFEDSA-N 1 2 360.414 2.956 20 30 FFEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844323496 997810486 /nfs/dbraw/zinc/81/04/86/997810486.db2.gz AIZUOLNGKDJGQM-MSOLQXFVSA-N 1 2 374.872 2.505 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1OC ZINC001090932786 997817053 /nfs/dbraw/zinc/81/70/53/997817053.db2.gz RZNRDJRNWTUUSH-USXIJHARSA-N 1 2 358.486 2.585 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3c(C)noc3C)C[C@@H]21 ZINC001084887309 997840847 /nfs/dbraw/zinc/84/08/47/997840847.db2.gz LAKMVKQPEIRLLW-KGLIPLIRSA-N 1 2 368.275 2.736 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(C)noc3C)C[C@@H]21 ZINC001084887309 997840855 /nfs/dbraw/zinc/84/08/55/997840855.db2.gz LAKMVKQPEIRLLW-KGLIPLIRSA-N 1 2 368.275 2.736 20 30 FFEDLO C[C@]1(c2cccc(F)c2)CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000844716042 998088823 /nfs/dbraw/zinc/08/88/23/998088823.db2.gz CITQHCOWOFXXHG-NRFANRHFSA-N 1 2 351.425 2.969 20 30 FFEDLO C[C@]1(c2cccc(F)c2)CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000844716042 998088828 /nfs/dbraw/zinc/08/88/28/998088828.db2.gz CITQHCOWOFXXHG-NRFANRHFSA-N 1 2 351.425 2.969 20 30 FFEDLO CCc1nc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)cs1 ZINC001084922253 998120298 /nfs/dbraw/zinc/12/02/98/998120298.db2.gz ULUQXSMVTUQRBO-DYVFJYSZSA-N 1 2 369.494 2.642 20 30 FFEDLO CCc1nc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)cs1 ZINC001084922253 998120304 /nfs/dbraw/zinc/12/03/04/998120304.db2.gz ULUQXSMVTUQRBO-DYVFJYSZSA-N 1 2 369.494 2.642 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nccc(C)n4)[C@H]3C2)cc1 ZINC001085003382 998643093 /nfs/dbraw/zinc/64/30/93/998643093.db2.gz ILFCEAVWTBJBAE-QUCCMNQESA-N 1 2 360.461 2.503 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](Cc4nccc(C)n4)[C@H]3C2)cc1 ZINC001085003382 998643096 /nfs/dbraw/zinc/64/30/96/998643096.db2.gz ILFCEAVWTBJBAE-QUCCMNQESA-N 1 2 360.461 2.503 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(C4CC4)o3)[C@H]2C1 ZINC001085037389 998741133 /nfs/dbraw/zinc/74/11/33/998741133.db2.gz CVEFCXXCTFUIKJ-BGTYHANMSA-N 1 2 371.481 2.566 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)[C@H]2C1 ZINC001085037389 998741137 /nfs/dbraw/zinc/74/11/37/998741137.db2.gz CVEFCXXCTFUIKJ-BGTYHANMSA-N 1 2 371.481 2.566 20 30 FFEDLO Cc1ccc2[nH+]cc(CN3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)n2c1 ZINC001137304742 1016251527 /nfs/dbraw/zinc/25/15/27/1016251527.db2.gz IXEKUMCWWBSZJO-OAHLLOKOSA-N 1 2 355.442 2.588 20 30 FFEDLO C[C@@]1(C(=O)N2CC[C@H]3CC[N@H+](Cc4cc(F)ccc4C#N)[C@H]3C2)CCOC1 ZINC001085063810 998819866 /nfs/dbraw/zinc/81/98/66/998819866.db2.gz KLHJLXWEKDBBMB-MFMILTCTSA-N 1 2 371.456 2.547 20 30 FFEDLO C[C@@]1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cc(F)ccc4C#N)[C@H]3C2)CCOC1 ZINC001085063810 998819870 /nfs/dbraw/zinc/81/98/70/998819870.db2.gz KLHJLXWEKDBBMB-MFMILTCTSA-N 1 2 371.456 2.547 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)Nc2cc(C)ccc2OC)cc1 ZINC000733305957 998952987 /nfs/dbraw/zinc/95/29/87/998952987.db2.gz DAGDCXBMCUWLKV-ZDUSSCGKSA-N 1 2 357.410 2.676 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)N(C2CC2)C2CCC(C)CC2)cc1 ZINC000733307802 998954355 /nfs/dbraw/zinc/95/43/55/998954355.db2.gz VSKDAXZYABWPDM-UHFFFAOYSA-N 1 2 359.470 2.902 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001065498066 999113174 /nfs/dbraw/zinc/11/31/74/999113174.db2.gz LHKPKDGUHJTNJQ-QRFRQXIXSA-N 1 2 358.486 2.807 20 30 FFEDLO CC(=NNC(=S)Nc1cccnc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735609579 999455581 /nfs/dbraw/zinc/45/55/81/999455581.db2.gz BTQKSVLJBDZXOR-SFHVURJKSA-N 1 2 369.494 2.645 20 30 FFEDLO CC(=NNC(=S)Nc1cccnc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735609579 999455585 /nfs/dbraw/zinc/45/55/85/999455585.db2.gz BTQKSVLJBDZXOR-SFHVURJKSA-N 1 2 369.494 2.645 20 30 FFEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001085736912 999617307 /nfs/dbraw/zinc/61/73/07/999617307.db2.gz YQEBUOPCIWOSRB-NSHGMRRFSA-N 1 2 371.456 2.545 20 30 FFEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001085736912 999617309 /nfs/dbraw/zinc/61/73/09/999617309.db2.gz YQEBUOPCIWOSRB-NSHGMRRFSA-N 1 2 371.456 2.545 20 30 FFEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001085831304 999648445 /nfs/dbraw/zinc/64/84/45/999648445.db2.gz YADQCMMUSNTXER-AYOQOUSVSA-N 1 2 366.490 2.851 20 30 FFEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001085831304 999648448 /nfs/dbraw/zinc/64/84/48/999648448.db2.gz YADQCMMUSNTXER-AYOQOUSVSA-N 1 2 366.490 2.851 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001085866407 999660409 /nfs/dbraw/zinc/66/04/09/999660409.db2.gz HOMYPJFYWWNCRA-GBESFXJTSA-N 1 2 353.466 2.646 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001085866407 999660410 /nfs/dbraw/zinc/66/04/10/999660410.db2.gz HOMYPJFYWWNCRA-GBESFXJTSA-N 1 2 353.466 2.646 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001085869337 999666511 /nfs/dbraw/zinc/66/65/11/999666511.db2.gz OCOBURNYKBKPCH-UFYCRDLUSA-N 1 2 353.466 2.572 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001085869337 999666513 /nfs/dbraw/zinc/66/65/13/999666513.db2.gz OCOBURNYKBKPCH-UFYCRDLUSA-N 1 2 353.466 2.572 20 30 FFEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000741147684 999711674 /nfs/dbraw/zinc/71/16/74/999711674.db2.gz LFPOYQYOOAMXRZ-FUHWJXTLSA-N 1 2 357.454 2.739 20 30 FFEDLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000741147684 999711676 /nfs/dbraw/zinc/71/16/76/999711676.db2.gz LFPOYQYOOAMXRZ-FUHWJXTLSA-N 1 2 357.454 2.739 20 30 FFEDLO C#CCOc1cc(F)ccc1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000743194483 999805407 /nfs/dbraw/zinc/80/54/07/999805407.db2.gz NAFBVFBVFQWPPK-UHFFFAOYSA-N 1 2 353.397 2.975 20 30 FFEDLO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)CO1 ZINC001169319140 1000038325 /nfs/dbraw/zinc/03/83/25/1000038325.db2.gz DRGUPOAKPDYUCP-YUMQZZPRSA-N 1 2 355.250 2.520 20 30 FFEDLO COc1cc(C#N)cc(NCCc2cn3ccccc3[nH+]2)c1OC(C)=O ZINC001169003716 1000014848 /nfs/dbraw/zinc/01/48/48/1000014848.db2.gz BEFBQAQNPIPIIB-UHFFFAOYSA-N 1 2 350.378 2.794 20 30 FFEDLO Cc1cnc(C#N)c(N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)n1 ZINC001169520886 1000056229 /nfs/dbraw/zinc/05/62/29/1000056229.db2.gz QBCPKFYSGIBFAN-SJLPKXTDSA-N 1 2 365.437 2.528 20 30 FFEDLO C=CC[C@@]1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CCCN1C(=O)OC(C)(C)C ZINC000804334947 1000069516 /nfs/dbraw/zinc/06/95/16/1000069516.db2.gz NEKBYTIGUFPFLZ-YWZLYKJASA-N 1 2 374.485 2.660 20 30 FFEDLO CSc1nc(C[N@@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)ccc1C#N ZINC001276131663 1016386217 /nfs/dbraw/zinc/38/62/17/1016386217.db2.gz SCDFVLCJSYBUAC-IBGZPJMESA-N 1 2 369.494 2.546 20 30 FFEDLO CSc1nc(C[N@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)ccc1C#N ZINC001276131663 1016386226 /nfs/dbraw/zinc/38/62/26/1016386226.db2.gz SCDFVLCJSYBUAC-IBGZPJMESA-N 1 2 369.494 2.546 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2CCOC3(CCC3)C2)CC1=O ZINC000767676297 1000132394 /nfs/dbraw/zinc/13/23/94/1000132394.db2.gz AMROMSAXUZURKV-CQSZACIVSA-N 1 2 366.465 2.748 20 30 FFEDLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSCC#N)C2 ZINC001108952355 1000135702 /nfs/dbraw/zinc/13/57/02/1000135702.db2.gz WPRCIMUTFDBYEM-XRGAULLZSA-N 1 2 370.478 2.867 20 30 FFEDLO C[C@@H](c1nc2ccccc2o1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSCC#N)C2 ZINC001108952355 1000135704 /nfs/dbraw/zinc/13/57/04/1000135704.db2.gz WPRCIMUTFDBYEM-XRGAULLZSA-N 1 2 370.478 2.867 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)Nc1ccccc1OC ZINC001109054994 1000160396 /nfs/dbraw/zinc/16/03/96/1000160396.db2.gz JOCNXSGKOGDSDF-MVJTYMMSSA-N 1 2 371.481 2.710 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)Nc1ccccc1OC ZINC001109054994 1000160397 /nfs/dbraw/zinc/16/03/97/1000160397.db2.gz JOCNXSGKOGDSDF-MVJTYMMSSA-N 1 2 371.481 2.710 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCC(C)CC1 ZINC001109171253 1000179223 /nfs/dbraw/zinc/17/92/23/1000179223.db2.gz JUEXUTSSSSUUGZ-PBDJWPIDSA-N 1 2 373.541 2.596 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCC(C)CC1 ZINC001109171253 1000179225 /nfs/dbraw/zinc/17/92/25/1000179225.db2.gz JUEXUTSSSSUUGZ-PBDJWPIDSA-N 1 2 373.541 2.596 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(CC)c1ccccc1 ZINC001109204329 1000185491 /nfs/dbraw/zinc/18/54/91/1000185491.db2.gz LDGVREPFLPODOS-AABGKKOBSA-N 1 2 367.493 2.565 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(CC)c1ccccc1 ZINC001109204329 1000185492 /nfs/dbraw/zinc/18/54/92/1000185492.db2.gz LDGVREPFLPODOS-AABGKKOBSA-N 1 2 367.493 2.565 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cccc(C)c1C ZINC001109205407 1000185964 /nfs/dbraw/zinc/18/59/64/1000185964.db2.gz CCAUGMZVBDLTOV-HOJAQTOUSA-N 1 2 367.493 2.767 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cccc(C)c1C ZINC001109205407 1000185966 /nfs/dbraw/zinc/18/59/66/1000185966.db2.gz CCAUGMZVBDLTOV-HOJAQTOUSA-N 1 2 367.493 2.767 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001091281767 1000366672 /nfs/dbraw/zinc/36/66/72/1000366672.db2.gz PCRZKNHNKVKXNU-DJIMGWMZSA-N 1 2 356.470 2.540 20 30 FFEDLO Cc1nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)ccc1C#N ZINC001091298915 1000384099 /nfs/dbraw/zinc/38/40/99/1000384099.db2.gz RXQPYZNMMNUCQX-FSPWUOQZSA-N 1 2 366.469 2.703 20 30 FFEDLO Cc1nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)ccc1C#N ZINC001091298915 1000384103 /nfs/dbraw/zinc/38/41/03/1000384103.db2.gz RXQPYZNMMNUCQX-FSPWUOQZSA-N 1 2 366.469 2.703 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC(F)F)C3)c1 ZINC001109531044 1000609014 /nfs/dbraw/zinc/60/90/14/1000609014.db2.gz LQUBQTNWRJEZDZ-KBMXLJTQSA-N 1 2 351.372 2.964 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC(F)F)C3)c1 ZINC001109531044 1000609019 /nfs/dbraw/zinc/60/90/19/1000609019.db2.gz LQUBQTNWRJEZDZ-KBMXLJTQSA-N 1 2 351.372 2.964 20 30 FFEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OC[C@H]2CCCOC2)cc1 ZINC000769842246 1000620101 /nfs/dbraw/zinc/62/01/01/1000620101.db2.gz KQXICLQPJRGOQF-HNNXBMFYSA-N 1 2 363.458 2.775 20 30 FFEDLO CCC[C@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109592576 1000690900 /nfs/dbraw/zinc/69/09/00/1000690900.db2.gz WLFPKBHSUVDPMN-BVBHFADKSA-N 1 2 359.445 2.734 20 30 FFEDLO CCC[C@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109592576 1000690904 /nfs/dbraw/zinc/69/09/04/1000690904.db2.gz WLFPKBHSUVDPMN-BVBHFADKSA-N 1 2 359.445 2.734 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1 ZINC001109634223 1000734751 /nfs/dbraw/zinc/73/47/51/1000734751.db2.gz HFHXADGGEHJCCJ-LMCOJAPRSA-N 1 2 369.509 2.627 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1 ZINC001109634223 1000734757 /nfs/dbraw/zinc/73/47/57/1000734757.db2.gz HFHXADGGEHJCCJ-LMCOJAPRSA-N 1 2 369.509 2.627 20 30 FFEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CCCCC2)CC1 ZINC001109675835 1000816259 /nfs/dbraw/zinc/81/62/59/1000816259.db2.gz JDHYWIVRSBRKJD-QYZOEREBSA-N 1 2 373.541 2.903 20 30 FFEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CCCCC2)CC1 ZINC001109675835 1000816266 /nfs/dbraw/zinc/81/62/66/1000816266.db2.gz JDHYWIVRSBRKJD-QYZOEREBSA-N 1 2 373.541 2.903 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1)C(C)C ZINC001109675978 1000818390 /nfs/dbraw/zinc/81/83/90/1000818390.db2.gz NICGLIGOEGHXGU-BVBHFADKSA-N 1 2 359.445 2.590 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1)C(C)C ZINC001109675978 1000818395 /nfs/dbraw/zinc/81/83/95/1000818395.db2.gz NICGLIGOEGHXGU-BVBHFADKSA-N 1 2 359.445 2.590 20 30 FFEDLO C[C@]12CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]1C[N@H+](C/C(Cl)=C\Cl)C2 ZINC001091613458 1000818922 /nfs/dbraw/zinc/81/89/22/1000818922.db2.gz YXGWAUQNEYSFEY-DTDMVDFZSA-N 1 2 353.253 2.599 20 30 FFEDLO C[C@]12CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]1C[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001091613458 1000818926 /nfs/dbraw/zinc/81/89/26/1000818926.db2.gz YXGWAUQNEYSFEY-DTDMVDFZSA-N 1 2 353.253 2.599 20 30 FFEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CCCC2)CC1 ZINC001109681640 1000834461 /nfs/dbraw/zinc/83/44/61/1000834461.db2.gz BTWDWWAJZYOXSD-SQNIBIBYSA-N 1 2 359.514 2.513 20 30 FFEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CCCC2)CC1 ZINC001109681640 1000834466 /nfs/dbraw/zinc/83/44/66/1000834466.db2.gz BTWDWWAJZYOXSD-SQNIBIBYSA-N 1 2 359.514 2.513 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(C)(C)C)oc1C)C2 ZINC001109767687 1000973320 /nfs/dbraw/zinc/97/33/20/1000973320.db2.gz GEVNUKUBFMOZJD-PVAVHDDUSA-N 1 2 373.497 2.523 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(C)(C)C)oc1C)C2 ZINC001109767687 1000973324 /nfs/dbraw/zinc/97/33/24/1000973324.db2.gz GEVNUKUBFMOZJD-PVAVHDDUSA-N 1 2 373.497 2.523 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC)c1ccccc1 ZINC001111436336 1016459828 /nfs/dbraw/zinc/45/98/28/1016459828.db2.gz BVUUEZHKYIJJOH-WTGUMLROSA-N 1 2 369.509 2.594 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC)c1ccccc1 ZINC001111436336 1016459837 /nfs/dbraw/zinc/45/98/37/1016459837.db2.gz BVUUEZHKYIJJOH-WTGUMLROSA-N 1 2 369.509 2.594 20 30 FFEDLO C[C@]12CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2 ZINC001091691077 1001062494 /nfs/dbraw/zinc/06/24/94/1001062494.db2.gz PBUBXOMEJNZBKM-VYDXJSESSA-N 1 2 369.362 2.739 20 30 FFEDLO C[C@]12CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001091691077 1001062502 /nfs/dbraw/zinc/06/25/02/1001062502.db2.gz PBUBXOMEJNZBKM-VYDXJSESSA-N 1 2 369.362 2.739 20 30 FFEDLO C[C@]12CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2 ZINC001091691077 1001062506 /nfs/dbraw/zinc/06/25/06/1001062506.db2.gz PBUBXOMEJNZBKM-VYDXJSESSA-N 1 2 369.362 2.739 20 30 FFEDLO C[C@]12CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001091691077 1001062513 /nfs/dbraw/zinc/06/25/13/1001062513.db2.gz PBUBXOMEJNZBKM-VYDXJSESSA-N 1 2 369.362 2.739 20 30 FFEDLO COC[C@@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109911841 1001150975 /nfs/dbraw/zinc/15/09/75/1001150975.db2.gz KTWRSFLPXRJNDJ-BIGGFVEDSA-N 1 2 359.445 2.591 20 30 FFEDLO COC[C@@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109911841 1001150976 /nfs/dbraw/zinc/15/09/76/1001150976.db2.gz KTWRSFLPXRJNDJ-BIGGFVEDSA-N 1 2 359.445 2.591 20 30 FFEDLO Cc1nc(N2CC[C@H](c3ccc(F)cc3)[C@H](NC(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001091724315 1001160787 /nfs/dbraw/zinc/16/07/87/1001160787.db2.gz RFVHLIDTNAMQHP-FSPWUOQZSA-N 1 2 367.428 2.563 20 30 FFEDLO COCCC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109941255 1001178976 /nfs/dbraw/zinc/17/89/76/1001178976.db2.gz QPULKBJPDBRVEI-KTGNWYGMSA-N 1 2 373.472 2.982 20 30 FFEDLO COCCC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109941255 1001178980 /nfs/dbraw/zinc/17/89/80/1001178980.db2.gz QPULKBJPDBRVEI-KTGNWYGMSA-N 1 2 373.472 2.982 20 30 FFEDLO Cn1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)cc1C1CC1 ZINC001095502363 1016528354 /nfs/dbraw/zinc/52/83/54/1016528354.db2.gz LTNULADZEXPYCI-DYXWJJEUSA-N 1 2 374.488 2.684 20 30 FFEDLO Cn1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)cc1C1CC1 ZINC001095502363 1016528368 /nfs/dbraw/zinc/52/83/68/1016528368.db2.gz LTNULADZEXPYCI-DYXWJJEUSA-N 1 2 374.488 2.684 20 30 FFEDLO Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)n1C ZINC001096794014 1016550261 /nfs/dbraw/zinc/55/02/61/1016550261.db2.gz RMFKTIGLWPSKSP-AQNXPRMDSA-N 1 2 365.452 2.859 20 30 FFEDLO Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)n1C ZINC001096794014 1016550272 /nfs/dbraw/zinc/55/02/72/1016550272.db2.gz RMFKTIGLWPSKSP-AQNXPRMDSA-N 1 2 365.452 2.859 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1Cc3cc(F)ccc3O1)C2 ZINC001097962162 1016561713 /nfs/dbraw/zinc/56/17/13/1016561713.db2.gz ZSJCKPLLQPBREI-PNBKFKSVSA-N 1 2 350.821 2.603 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1Cc3cc(F)ccc3O1)C2 ZINC001097962162 1016561722 /nfs/dbraw/zinc/56/17/22/1016561722.db2.gz ZSJCKPLLQPBREI-PNBKFKSVSA-N 1 2 350.821 2.603 20 30 FFEDLO N#Cc1ccnnc1NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001182936867 1002113908 /nfs/dbraw/zinc/11/39/08/1002113908.db2.gz RWJTYVGLPROFEL-UHFFFAOYSA-N 1 2 357.417 2.989 20 30 FFEDLO C[C@@H]1C[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CC2(CCOCC2)O1 ZINC000790402260 1002373820 /nfs/dbraw/zinc/37/38/20/1002373820.db2.gz OESXTAMIMNGGEU-MRXNPFEDSA-N 1 2 352.438 2.649 20 30 FFEDLO C[C@@H]1C[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CC2(CCOCC2)O1 ZINC000790402260 1002373832 /nfs/dbraw/zinc/37/38/32/1002373832.db2.gz OESXTAMIMNGGEU-MRXNPFEDSA-N 1 2 352.438 2.649 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CN(c3nc(C)[nH+]c4c3CCCC4)C[C@@]2(C)C1 ZINC001092280068 1002596533 /nfs/dbraw/zinc/59/65/33/1002596533.db2.gz CUCUWOMACFQQHE-HRAATJIYSA-N 1 2 354.498 2.915 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cccc(F)n2)C1 ZINC001092315889 1002668328 /nfs/dbraw/zinc/66/83/28/1002668328.db2.gz POPCUXLBQGZAKB-HUUCEWRRSA-N 1 2 371.460 2.963 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110351849 1002674174 /nfs/dbraw/zinc/67/41/74/1002674174.db2.gz KTQKHHHIJHSHGY-JRJVTICQSA-N 1 2 373.472 2.980 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110351849 1002674179 /nfs/dbraw/zinc/67/41/79/1002674179.db2.gz KTQKHHHIJHSHGY-JRJVTICQSA-N 1 2 373.472 2.980 20 30 FFEDLO CC1(C)COCC[N@@H+]1CCNc1cc(Br)c(C#N)cc1F ZINC001185252175 1002886687 /nfs/dbraw/zinc/88/66/87/1002886687.db2.gz CSASOBRNSWLOFR-UHFFFAOYSA-N 1 2 356.239 2.983 20 30 FFEDLO CC1(C)COCC[N@H+]1CCNc1cc(Br)c(C#N)cc1F ZINC001185252175 1002886696 /nfs/dbraw/zinc/88/66/96/1002886696.db2.gz CSASOBRNSWLOFR-UHFFFAOYSA-N 1 2 356.239 2.983 20 30 FFEDLO CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001110360997 1002921069 /nfs/dbraw/zinc/92/10/69/1002921069.db2.gz UKCCDIXBEIYLQB-QRVBRYPASA-N 1 2 360.885 2.840 20 30 FFEDLO CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001110360997 1002921078 /nfs/dbraw/zinc/92/10/78/1002921078.db2.gz UKCCDIXBEIYLQB-QRVBRYPASA-N 1 2 360.885 2.840 20 30 FFEDLO N#CC1(NS(=O)(=O)c2ccsc2)CC[NH+](Cc2ccccc2)CC1 ZINC001185406177 1002947077 /nfs/dbraw/zinc/94/70/77/1002947077.db2.gz MQXPJURGYQCHCF-UHFFFAOYSA-N 1 2 361.492 2.585 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nnc(-c2ccccc2)o1 ZINC001110371048 1003091896 /nfs/dbraw/zinc/09/18/96/1003091896.db2.gz ADVDMXMHPGYQJB-ZACQAIPSSA-N 1 2 352.438 2.924 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nnc(-c2ccccc2)o1 ZINC001110371048 1003091915 /nfs/dbraw/zinc/09/19/15/1003091915.db2.gz ADVDMXMHPGYQJB-ZACQAIPSSA-N 1 2 352.438 2.924 20 30 FFEDLO C=C(C)[C@@H](CC(=O)NCC[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C)OCC ZINC001092550355 1003099907 /nfs/dbraw/zinc/09/99/07/1003099907.db2.gz VYABCHPOTSVAMV-KBAYOESNSA-N 1 2 360.502 2.735 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)NCC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC001092572169 1003235468 /nfs/dbraw/zinc/23/54/68/1003235468.db2.gz GLBAAKMMRCPEMG-BZUAXINKSA-N 1 2 370.501 2.544 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001092622044 1003323997 /nfs/dbraw/zinc/32/39/97/1003323997.db2.gz IYCVEXBVGKDGHC-QGPMSJSTSA-N 1 2 370.497 2.597 20 30 FFEDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793526287 1003400630 /nfs/dbraw/zinc/40/06/30/1003400630.db2.gz ZESOIQHMTADJFS-UHFFFAOYSA-N 1 2 366.421 2.639 20 30 FFEDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793526287 1003400637 /nfs/dbraw/zinc/40/06/37/1003400637.db2.gz ZESOIQHMTADJFS-UHFFFAOYSA-N 1 2 366.421 2.639 20 30 FFEDLO CC(C)[C@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1ccc(C#N)nc1 ZINC001114121619 1003404685 /nfs/dbraw/zinc/40/46/85/1003404685.db2.gz WKIUSSPPVOTUQI-KURKYZTESA-N 1 2 366.469 2.765 20 30 FFEDLO CC(C)[C@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1ccc(C#N)nc1 ZINC001114121619 1003404691 /nfs/dbraw/zinc/40/46/91/1003404691.db2.gz WKIUSSPPVOTUQI-KURKYZTESA-N 1 2 366.469 2.765 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001092806372 1003556683 /nfs/dbraw/zinc/55/66/83/1003556683.db2.gz PPOUINZWCKPDEK-ZSGPHXLJSA-N 1 2 358.486 2.555 20 30 FFEDLO CCCOCC(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001187143415 1003584471 /nfs/dbraw/zinc/58/44/71/1003584471.db2.gz PHFXMFIODFMFKU-PKOBYXMFSA-N 1 2 360.885 2.651 20 30 FFEDLO CCCOCC(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001187143415 1003584474 /nfs/dbraw/zinc/58/44/74/1003584474.db2.gz PHFXMFIODFMFKU-PKOBYXMFSA-N 1 2 360.885 2.651 20 30 FFEDLO C=C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCC)c1ccccc1 ZINC001110136774 1003598760 /nfs/dbraw/zinc/59/87/60/1003598760.db2.gz OPVOZTZEUKYXMW-FYQPLNBISA-N 1 2 369.509 2.594 20 30 FFEDLO C=C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCC)c1ccccc1 ZINC001110136774 1003598763 /nfs/dbraw/zinc/59/87/63/1003598763.db2.gz OPVOZTZEUKYXMW-FYQPLNBISA-N 1 2 369.509 2.594 20 30 FFEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ncc(Cl)n3C)C[C@H]2C)cc1 ZINC001092874886 1003651817 /nfs/dbraw/zinc/65/18/17/1003651817.db2.gz DNLUMOHOMVWNAP-RHSMWYFYSA-N 1 2 370.884 2.553 20 30 FFEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ncc(Cl)n3C)C[C@H]2C)cc1 ZINC001092874886 1003651822 /nfs/dbraw/zinc/65/18/22/1003651822.db2.gz DNLUMOHOMVWNAP-RHSMWYFYSA-N 1 2 370.884 2.553 20 30 FFEDLO C#C[C@@H](CC)NC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001129610870 1003721826 /nfs/dbraw/zinc/72/18/26/1003721826.db2.gz QSUGFFHCRAEOPO-SFHVURJKSA-N 1 2 373.497 2.541 20 30 FFEDLO C#C[C@@H](CC)NC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001129610870 1003721830 /nfs/dbraw/zinc/72/18/30/1003721830.db2.gz QSUGFFHCRAEOPO-SFHVURJKSA-N 1 2 373.497 2.541 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2cccnc2)C3)c1 ZINC001096957026 1016824497 /nfs/dbraw/zinc/82/44/97/1016824497.db2.gz IQJWHKXVWJQZRY-RLLQIKCJSA-N 1 2 364.424 2.557 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2cccnc2)C3)c1 ZINC001096957026 1016824506 /nfs/dbraw/zinc/82/45/06/1016824506.db2.gz IQJWHKXVWJQZRY-RLLQIKCJSA-N 1 2 364.424 2.557 20 30 FFEDLO N#Cc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001196691889 1003934702 /nfs/dbraw/zinc/93/47/02/1003934702.db2.gz ZXOLSVQWWNNCLS-UHFFFAOYSA-N 1 2 372.837 2.876 20 30 FFEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001196935060 1004002234 /nfs/dbraw/zinc/00/22/34/1004002234.db2.gz FPUALWJECPDRFG-HIFRSBDPSA-N 1 2 362.253 2.783 20 30 FFEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001196935060 1004002242 /nfs/dbraw/zinc/00/22/42/1004002242.db2.gz FPUALWJECPDRFG-HIFRSBDPSA-N 1 2 362.253 2.783 20 30 FFEDLO CC[C@@H]1CC(N2CC[NH2+]C[C@@H]2C#N)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170484957 1004082156 /nfs/dbraw/zinc/08/21/56/1004082156.db2.gz SFOHDVQCYWENBE-INMHGKMJSA-N 1 2 350.507 2.740 20 30 FFEDLO COc1ccc2c(c1)C[C@H](C[N@@H+]1CCO[C@@H](c3cccc(C#N)c3)C1)O2 ZINC001192975561 1004345803 /nfs/dbraw/zinc/34/58/03/1004345803.db2.gz FWRYPBVFAPJLRC-TZIWHRDSSA-N 1 2 350.418 2.944 20 30 FFEDLO COc1ccc2c(c1)C[C@H](C[N@H+]1CCO[C@@H](c3cccc(C#N)c3)C1)O2 ZINC001192975561 1004345807 /nfs/dbraw/zinc/34/58/07/1004345807.db2.gz FWRYPBVFAPJLRC-TZIWHRDSSA-N 1 2 350.418 2.944 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(C)C)n2)C[C@H]1O ZINC001193231763 1004411999 /nfs/dbraw/zinc/41/19/99/1004411999.db2.gz LVKABPAQEVMFBH-WOJBJXKFSA-N 1 2 357.498 2.635 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(C)C)n2)C[C@H]1O ZINC001193231763 1004412000 /nfs/dbraw/zinc/41/20/00/1004412000.db2.gz LVKABPAQEVMFBH-WOJBJXKFSA-N 1 2 357.498 2.635 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)Nc1ccccc1 ZINC001110497484 1004418660 /nfs/dbraw/zinc/41/86/60/1004418660.db2.gz WMBQFXGJHGBRIO-OWYHZJEWSA-N 1 2 353.466 2.539 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)Nc1ccccc1 ZINC001110497484 1004418665 /nfs/dbraw/zinc/41/86/65/1004418665.db2.gz WMBQFXGJHGBRIO-OWYHZJEWSA-N 1 2 353.466 2.539 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2oc(C(C)C)nc2C)C[C@H]1O ZINC001193258858 1004423351 /nfs/dbraw/zinc/42/33/51/1004423351.db2.gz OUWNZHQGAGJEDD-ZIAGYGMSSA-N 1 2 369.893 2.546 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2oc(C(C)C)nc2C)C[C@H]1O ZINC001193258858 1004423356 /nfs/dbraw/zinc/42/33/56/1004423356.db2.gz OUWNZHQGAGJEDD-ZIAGYGMSSA-N 1 2 369.893 2.546 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc3ccccc3o2)C[C@H]1O ZINC001193337305 1004454608 /nfs/dbraw/zinc/45/46/08/1004454608.db2.gz NWPJUDPTFZYWNJ-FVQBIDKESA-N 1 2 357.454 2.652 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc3ccccc3o2)C[C@H]1O ZINC001193337305 1004454614 /nfs/dbraw/zinc/45/46/14/1004454614.db2.gz NWPJUDPTFZYWNJ-FVQBIDKESA-N 1 2 357.454 2.652 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)s2)C[C@H]1O ZINC001198082225 1004473886 /nfs/dbraw/zinc/47/38/86/1004473886.db2.gz ZSESHNSSCQUGSC-IAGOWNOFSA-N 1 2 353.532 2.863 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@H]1O ZINC001198082225 1004473892 /nfs/dbraw/zinc/47/38/92/1004473892.db2.gz ZSESHNSSCQUGSC-IAGOWNOFSA-N 1 2 353.532 2.863 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)ns1 ZINC001097007126 1016882205 /nfs/dbraw/zinc/88/22/05/1016882205.db2.gz BMNDJQNJVNVZJA-LMMKCTJWSA-N 1 2 369.465 2.977 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)ns1 ZINC001097007126 1016882229 /nfs/dbraw/zinc/88/22/29/1016882229.db2.gz BMNDJQNJVNVZJA-LMMKCTJWSA-N 1 2 369.465 2.977 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC001194551014 1004758067 /nfs/dbraw/zinc/75/80/67/1004758067.db2.gz CQLZCFMGUACIBC-HOTGVXAUSA-N 1 2 362.905 2.859 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC001194551014 1004758073 /nfs/dbraw/zinc/75/80/73/1004758073.db2.gz CQLZCFMGUACIBC-HOTGVXAUSA-N 1 2 362.905 2.859 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCF)c1ccccc1OC ZINC001198924270 1004781254 /nfs/dbraw/zinc/78/12/54/1004781254.db2.gz IEJSEHMUKGNYHN-SCTDSRPQSA-N 1 2 364.461 2.783 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)s3)C[C@H]2O)CCCCC1 ZINC001198944179 1004801936 /nfs/dbraw/zinc/80/19/36/1004801936.db2.gz CLIGLCOZLBEQMP-IAGOWNOFSA-N 1 2 363.527 2.639 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)s3)C[C@H]2O)CCCCC1 ZINC001198944179 1004801943 /nfs/dbraw/zinc/80/19/43/1004801943.db2.gz CLIGLCOZLBEQMP-IAGOWNOFSA-N 1 2 363.527 2.639 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1O ZINC001195277266 1004930112 /nfs/dbraw/zinc/93/01/12/1004930112.db2.gz DINOLAOHWLBQBY-HZPDHXFCSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1O ZINC001195277266 1004930119 /nfs/dbraw/zinc/93/01/19/1004930119.db2.gz DINOLAOHWLBQBY-HZPDHXFCSA-N 1 2 370.415 2.969 20 30 FFEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001110532069 1004930658 /nfs/dbraw/zinc/93/06/58/1004930658.db2.gz XPFDZLQAQJQBJM-AQNXPRMDSA-N 1 2 352.865 2.826 20 30 FFEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001110532069 1004930659 /nfs/dbraw/zinc/93/06/59/1004930659.db2.gz XPFDZLQAQJQBJM-AQNXPRMDSA-N 1 2 352.865 2.826 20 30 FFEDLO N#Cc1cnc(C(=O)NC2C[NH+](C(c3ccccc3)c3ccccc3)C2)cn1 ZINC001199668449 1005002180 /nfs/dbraw/zinc/00/21/80/1005002180.db2.gz SYRMLSWFSYKXGM-UHFFFAOYSA-N 1 2 369.428 2.552 20 30 FFEDLO C=CCSc1ncccc1C(=O)N1CCN(c2cc[nH+]c(OC)c2)CC1 ZINC001199740870 1005017815 /nfs/dbraw/zinc/01/78/15/1005017815.db2.gz SYFISSFFAOMXDU-UHFFFAOYSA-N 1 2 370.478 2.726 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ccc(F)c(F)c3)C[C@H]2O)CC1 ZINC001195923471 1005074529 /nfs/dbraw/zinc/07/45/29/1005074529.db2.gz CEXOWBJBYNFGIY-FSPWUOQZSA-N 1 2 364.436 2.934 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ccc(F)c(F)c3)C[C@H]2O)CC1 ZINC001195923471 1005074537 /nfs/dbraw/zinc/07/45/37/1005074537.db2.gz CEXOWBJBYNFGIY-FSPWUOQZSA-N 1 2 364.436 2.934 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H]2C[N@H+](Cc3nnc(CCC)s3)CC[C@@H]2C1 ZINC001489193789 1005428321 /nfs/dbraw/zinc/42/83/21/1005428321.db2.gz NVEXBSYALLPXRY-CVEARBPZSA-N 1 2 360.527 2.574 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(CCC)s3)CC[C@@H]2C1 ZINC001489193789 1005428323 /nfs/dbraw/zinc/42/83/23/1005428323.db2.gz NVEXBSYALLPXRY-CVEARBPZSA-N 1 2 360.527 2.574 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1CC[N@H+](Cc2cc(O)ccc2Cl)[C@@H]1C ZINC001489314368 1005462078 /nfs/dbraw/zinc/46/20/78/1005462078.db2.gz QGKMLVVHHMTLNW-DYVFJYSZSA-N 1 2 352.862 2.717 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)[C@@H]1C ZINC001489314368 1005462080 /nfs/dbraw/zinc/46/20/80/1005462080.db2.gz QGKMLVVHHMTLNW-DYVFJYSZSA-N 1 2 352.862 2.717 20 30 FFEDLO C=C(Br)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001490251471 1005677762 /nfs/dbraw/zinc/67/77/62/1005677762.db2.gz KWAMENSEACFIEF-LSDHHAIUSA-N 1 2 352.276 2.532 20 30 FFEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001490251471 1005677763 /nfs/dbraw/zinc/67/77/63/1005677763.db2.gz KWAMENSEACFIEF-LSDHHAIUSA-N 1 2 352.276 2.532 20 30 FFEDLO C=CC(C)(C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001490644677 1005743092 /nfs/dbraw/zinc/74/30/92/1005743092.db2.gz OUBKLDGBGIDHMM-IKGGRYGDSA-N 1 2 358.486 2.514 20 30 FFEDLO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001490618120 1005745894 /nfs/dbraw/zinc/74/58/94/1005745894.db2.gz CFYDHXJAOCXZPC-IAGOWNOFSA-N 1 2 364.921 2.979 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)nn1 ZINC000850110638 1005786717 /nfs/dbraw/zinc/78/67/17/1005786717.db2.gz FKUAPHXMFULOIY-MRXNPFEDSA-N 1 2 368.485 2.571 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)cc1F ZINC001110391361 1005959405 /nfs/dbraw/zinc/95/94/05/1005959405.db2.gz JINLMDZOJGXKMP-OIISXLGYSA-N 1 2 352.837 2.903 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)cc1F ZINC001110391361 1005959410 /nfs/dbraw/zinc/95/94/10/1005959410.db2.gz JINLMDZOJGXKMP-OIISXLGYSA-N 1 2 352.837 2.903 20 30 FFEDLO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)cc1 ZINC000852329548 1005980975 /nfs/dbraw/zinc/98/09/75/1005980975.db2.gz CWILTFKZBCOOTJ-OAQYLSRUSA-N 1 2 364.449 2.976 20 30 FFEDLO COc1ccc(NC(=O)CC[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)cc1 ZINC000852329548 1005980981 /nfs/dbraw/zinc/98/09/81/1005980981.db2.gz CWILTFKZBCOOTJ-OAQYLSRUSA-N 1 2 364.449 2.976 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(Cl)n3)C[C@H]21 ZINC001187217708 1005984541 /nfs/dbraw/zinc/98/45/41/1005984541.db2.gz UJUPBNJQRQWBRD-YQQAZPJKSA-N 1 2 363.889 2.749 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(Cl)n3)C[C@H]21 ZINC001187217708 1005984549 /nfs/dbraw/zinc/98/45/49/1005984549.db2.gz UJUPBNJQRQWBRD-YQQAZPJKSA-N 1 2 363.889 2.749 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@H+](Cc3noc4c3COCC4)C[C@H]21 ZINC001188033959 1006387963 /nfs/dbraw/zinc/38/79/63/1006387963.db2.gz UZDDWXADUXHZLP-QFBILLFUSA-N 1 2 371.481 2.548 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@@H+](Cc3noc4c3COCC4)C[C@H]21 ZINC001188033959 1006387976 /nfs/dbraw/zinc/38/79/76/1006387976.db2.gz UZDDWXADUXHZLP-QFBILLFUSA-N 1 2 371.481 2.548 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1cc(C#N)nc(C3CC3)n1)C[NH2+]C2(C)C ZINC001170756649 1006395077 /nfs/dbraw/zinc/39/50/77/1006395077.db2.gz OECITQBTTXNACJ-UHFFFAOYSA-N 1 2 367.413 2.509 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(-c3ccccc3)cn1)C2 ZINC001097111926 1017055410 /nfs/dbraw/zinc/05/54/10/1017055410.db2.gz PEQMXFWDHOVWRD-NUJGCVRESA-N 1 2 356.857 2.960 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(-c3ccccc3)cn1)C2 ZINC001097111926 1017055414 /nfs/dbraw/zinc/05/54/14/1017055414.db2.gz PEQMXFWDHOVWRD-NUJGCVRESA-N 1 2 356.857 2.960 20 30 FFEDLO COCC[NH+]1CCN(C(=O)c2ccc(-c3ccc(C#N)c(F)c3)cc2)CC1 ZINC001188702572 1006683661 /nfs/dbraw/zinc/68/36/61/1006683661.db2.gz VQRWFMJTAVKMGK-UHFFFAOYSA-N 1 2 367.424 2.769 20 30 FFEDLO CC(C)CCO[C@@H]1CC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000854112416 1006688382 /nfs/dbraw/zinc/68/83/82/1006688382.db2.gz XNULVKUCTJIWLA-MRXNPFEDSA-N 1 2 354.454 2.557 20 30 FFEDLO CC(C)CCO[C@@H]1CC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000854112416 1006688393 /nfs/dbraw/zinc/68/83/93/1006688393.db2.gz XNULVKUCTJIWLA-MRXNPFEDSA-N 1 2 354.454 2.557 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3cccc(F)c3)C[C@H]21 ZINC001189006894 1006844190 /nfs/dbraw/zinc/84/41/90/1006844190.db2.gz LOEWUGDYFLHOKV-MAUKXSAKSA-N 1 2 359.445 2.653 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3cccc(F)c3)C[C@H]21 ZINC001189006894 1006844193 /nfs/dbraw/zinc/84/41/93/1006844193.db2.gz LOEWUGDYFLHOKV-MAUKXSAKSA-N 1 2 359.445 2.653 20 30 FFEDLO N#CCCc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000885309737 1007686014 /nfs/dbraw/zinc/68/60/14/1007686014.db2.gz TVHJXICMTUNHOW-IBGZPJMESA-N 1 2 369.490 2.696 20 30 FFEDLO N#CCCc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000885309737 1007686021 /nfs/dbraw/zinc/68/60/21/1007686021.db2.gz TVHJXICMTUNHOW-IBGZPJMESA-N 1 2 369.490 2.696 20 30 FFEDLO N#Cc1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)c1 ZINC001190975724 1007856949 /nfs/dbraw/zinc/85/69/49/1007856949.db2.gz HGHKKULFCVXTCM-UXHICEINSA-N 1 2 350.418 2.799 20 30 FFEDLO N#Cc1cccc([C@@H](O)C[N@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)c1 ZINC001190975724 1007856959 /nfs/dbraw/zinc/85/69/59/1007856959.db2.gz HGHKKULFCVXTCM-UXHICEINSA-N 1 2 350.418 2.799 20 30 FFEDLO C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1OC ZINC000857964869 1008264217 /nfs/dbraw/zinc/26/42/17/1008264217.db2.gz APEWOGJTAACNQD-YERXGYGTSA-N 1 2 353.422 2.601 20 30 FFEDLO C=CC[C@]1(C(=O)N[C@H]2CCn3c[nH+]cc32)CCCN1C(=O)OC(C)(C)C ZINC000857982790 1008268418 /nfs/dbraw/zinc/26/84/18/1008268418.db2.gz SCXABGCJPLLLID-IFXJQAMLSA-N 1 2 360.458 2.790 20 30 FFEDLO N#Cc1ccc(C(=O)COC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001206492048 1032311753 /nfs/dbraw/zinc/31/17/53/1032311753.db2.gz QVHXXMBDKPYOLT-HXUWFJFHSA-N 1 2 350.418 2.659 20 30 FFEDLO N#Cc1ccc(C(=O)COC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001206492048 1032311763 /nfs/dbraw/zinc/31/17/63/1032311763.db2.gz QVHXXMBDKPYOLT-HXUWFJFHSA-N 1 2 350.418 2.659 20 30 FFEDLO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)/C=C\c2ccc(F)cc2)C[C@@H](C)O1 ZINC001136421961 1008426450 /nfs/dbraw/zinc/42/64/50/1008426450.db2.gz HWGXRNKJYALFBV-ZAIQOQLCSA-N 1 2 374.456 2.508 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000859018927 1008465684 /nfs/dbraw/zinc/46/56/84/1008465684.db2.gz GIRFFZPRGAZHFM-DLBZAZTESA-N 1 2 358.486 2.537 20 30 FFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)CCC1 ZINC000886121282 1008572166 /nfs/dbraw/zinc/57/21/66/1008572166.db2.gz ZZUDSVLPLTYGQB-KRWDZBQOSA-N 1 2 354.429 2.814 20 30 FFEDLO N#CC1(C[C@H](O)C[N@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)CCC1 ZINC000886121282 1008572175 /nfs/dbraw/zinc/57/21/75/1008572175.db2.gz ZZUDSVLPLTYGQB-KRWDZBQOSA-N 1 2 354.429 2.814 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2coc(-c3ccc(C)cc3)n2)C[C@H]1C ZINC001206585686 1032351743 /nfs/dbraw/zinc/35/17/43/1032351743.db2.gz BHHQTWFZESTHMU-VQIMIIECSA-N 1 2 369.465 2.789 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2coc(-c3ccc(C)cc3)n2)C[C@H]1C ZINC001206585686 1032351751 /nfs/dbraw/zinc/35/17/51/1032351751.db2.gz BHHQTWFZESTHMU-VQIMIIECSA-N 1 2 369.465 2.789 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)[C@]2(C)CC(C)(C)CN2C(=O)OC(C)(C)C)CC1 ZINC001178900001 1009184994 /nfs/dbraw/zinc/18/49/94/1009184994.db2.gz NFHBVDUWVIWMLF-FQEVSTJZSA-N 1 2 365.518 2.742 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1)OCC ZINC001092888374 1009347044 /nfs/dbraw/zinc/34/70/44/1009347044.db2.gz ZBQWTGSYNFYDDB-XWSJACJDSA-N 1 2 372.513 2.945 20 30 FFEDLO Cc1nc(N2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)c2c([nH+]1)CCCC2 ZINC001093084843 1009806651 /nfs/dbraw/zinc/80/66/51/1009806651.db2.gz ZALYOBOJOJBTCT-JTSKRJEESA-N 1 2 364.493 2.552 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3sccc3CC#N)C2)cc1 ZINC000826611330 1009866305 /nfs/dbraw/zinc/86/63/05/1009866305.db2.gz YVPYCRGGUCSMLD-SFHVURJKSA-N 1 2 369.490 2.753 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)c3sccc3CC#N)C2)cc1 ZINC000826611330 1009866326 /nfs/dbraw/zinc/86/63/26/1009866326.db2.gz YVPYCRGGUCSMLD-SFHVURJKSA-N 1 2 369.490 2.753 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNc2cc[nH+]c(C)n2)C1 ZINC001093121179 1009922775 /nfs/dbraw/zinc/92/27/75/1009922775.db2.gz YPSWEROQBSFBKK-SYNHAJSKSA-N 1 2 358.486 2.807 20 30 FFEDLO C#C[C@@H](NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C1CCOCC1 ZINC000889369652 1009927819 /nfs/dbraw/zinc/92/78/19/1009927819.db2.gz KNKOUAIIPRJUCN-KZNAEPCWSA-N 1 2 356.470 2.532 20 30 FFEDLO CC[C@@H](C#N)C(=O)Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000863547220 1010251382 /nfs/dbraw/zinc/25/13/82/1010251382.db2.gz PSHJLOOQSSZFQK-AWEZNQCLSA-N 1 2 373.457 2.627 20 30 FFEDLO CN(C(=O)OC(C)(C)C)c1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000863573040 1010259744 /nfs/dbraw/zinc/25/97/44/1010259744.db2.gz JTQVMKWDICXHHK-KRWDZBQOSA-N 1 2 362.474 2.676 20 30 FFEDLO CN(C(=O)OC(C)(C)C)c1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000863573040 1010259754 /nfs/dbraw/zinc/25/97/54/1010259754.db2.gz JTQVMKWDICXHHK-KRWDZBQOSA-N 1 2 362.474 2.676 20 30 FFEDLO C=C(C)C(=O)OCCNC(=O)[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC001182225173 1010450468 /nfs/dbraw/zinc/45/04/68/1010450468.db2.gz VDRHANFERAGBDC-MRXNPFEDSA-N 1 2 352.862 2.958 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccn(C(CC)CC)n2)C[C@H]1C ZINC001206915856 1032496485 /nfs/dbraw/zinc/49/64/85/1032496485.db2.gz MLRSWPYSAOVELZ-XFQXTVEOSA-N 1 2 362.518 2.508 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(CC)CC)n2)C[C@H]1C ZINC001206915856 1032496487 /nfs/dbraw/zinc/49/64/87/1032496487.db2.gz MLRSWPYSAOVELZ-XFQXTVEOSA-N 1 2 362.518 2.508 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2c(F)cccc2Cl)C[C@H]1C ZINC001206915953 1032498010 /nfs/dbraw/zinc/49/80/10/1032498010.db2.gz PYAKRRWCVMYHPA-NJAPINKUSA-N 1 2 354.853 2.743 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2c(F)cccc2Cl)C[C@H]1C ZINC001206915953 1032498018 /nfs/dbraw/zinc/49/80/18/1032498018.db2.gz PYAKRRWCVMYHPA-NJAPINKUSA-N 1 2 354.853 2.743 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001094170981 1010912607 /nfs/dbraw/zinc/91/26/07/1010912607.db2.gz GDVMBZWGVOKSAG-WMZOPIPTSA-N 1 2 358.486 2.563 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)n2)CC1 ZINC000777377112 1011233616 /nfs/dbraw/zinc/23/36/16/1011233616.db2.gz CIZZNHFNGXCWDQ-UHFFFAOYSA-N 1 2 350.466 2.579 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171483666 1011338212 /nfs/dbraw/zinc/33/82/12/1011338212.db2.gz XMICYHBXQWLYJA-BEFAXECRSA-N 1 2 374.435 2.753 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171483666 1011338227 /nfs/dbraw/zinc/33/82/27/1011338227.db2.gz XMICYHBXQWLYJA-BEFAXECRSA-N 1 2 374.435 2.753 20 30 FFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 ZINC000795035383 1011454501 /nfs/dbraw/zinc/45/45/01/1011454501.db2.gz WNHHZMMVJHMEBX-GBESFXJTSA-N 1 2 372.465 2.741 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172713583 1011990106 /nfs/dbraw/zinc/99/01/06/1011990106.db2.gz IKFKNVHHAQTYAJ-FUHWJXTLSA-N 1 2 358.873 2.738 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172713583 1011990113 /nfs/dbraw/zinc/99/01/13/1011990113.db2.gz IKFKNVHHAQTYAJ-FUHWJXTLSA-N 1 2 358.873 2.738 20 30 FFEDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C#N)ccc1Cl ZINC001275235175 1012116081 /nfs/dbraw/zinc/11/60/81/1012116081.db2.gz YKSHCHCWMAMKNF-JBBXEZCESA-N 1 2 359.857 2.754 20 30 FFEDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(C#N)ccc1Cl ZINC001275235175 1012116090 /nfs/dbraw/zinc/11/60/90/1012116090.db2.gz YKSHCHCWMAMKNF-JBBXEZCESA-N 1 2 359.857 2.754 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(Cl)cc(Cl)c1)C2 ZINC001275281704 1012201097 /nfs/dbraw/zinc/20/10/97/1012201097.db2.gz GIJZWAQHMCIDSE-GOSISDBHSA-N 1 2 367.276 2.678 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(Cl)cc(Cl)c1)C2 ZINC001275281704 1012201113 /nfs/dbraw/zinc/20/11/13/1012201113.db2.gz GIJZWAQHMCIDSE-GOSISDBHSA-N 1 2 367.276 2.678 20 30 FFEDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(C#N)c1Cl ZINC001275308477 1012261150 /nfs/dbraw/zinc/26/11/50/1012261150.db2.gz OBJLZIQMBWUZRM-JCURWCKSSA-N 1 2 359.857 2.754 20 30 FFEDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(C#N)c1Cl ZINC001275308477 1012261168 /nfs/dbraw/zinc/26/11/68/1012261168.db2.gz OBJLZIQMBWUZRM-JCURWCKSSA-N 1 2 359.857 2.754 20 30 FFEDLO C=CCCCCCC[NH+]1CC2(C1)COCC(=O)N2CC(=O)C(C)(C)C ZINC001275329333 1012309094 /nfs/dbraw/zinc/30/90/94/1012309094.db2.gz SMQPOTJFRRUJOB-UHFFFAOYSA-N 1 2 350.503 2.651 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001095165856 1012586560 /nfs/dbraw/zinc/58/65/60/1012586560.db2.gz WKCHQQKCVWXAIW-NJAFHUGGSA-N 1 2 368.412 2.838 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001095165856 1012586572 /nfs/dbraw/zinc/58/65/72/1012586572.db2.gz WKCHQQKCVWXAIW-NJAFHUGGSA-N 1 2 368.412 2.838 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)[nH]n1 ZINC001095192114 1012677604 /nfs/dbraw/zinc/67/76/04/1012677604.db2.gz KHAQPCGPLTVNHE-AYBZRNKSSA-N 1 2 367.428 2.518 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)[nH]n1 ZINC001095192114 1012677618 /nfs/dbraw/zinc/67/76/18/1012677618.db2.gz KHAQPCGPLTVNHE-AYBZRNKSSA-N 1 2 367.428 2.518 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000648103481 1012694820 /nfs/dbraw/zinc/69/48/20/1012694820.db2.gz UXZTYDMXABRLEU-SJORKVTESA-N 1 2 368.399 2.941 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)c1cscn1 ZINC001095235428 1012807170 /nfs/dbraw/zinc/80/71/70/1012807170.db2.gz UZXUZEFVFZLJBS-RYRKJORJSA-N 1 2 355.438 2.669 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)c1cscn1 ZINC001095235428 1012807191 /nfs/dbraw/zinc/80/71/91/1012807191.db2.gz UZXUZEFVFZLJBS-RYRKJORJSA-N 1 2 355.438 2.669 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)c(F)c(F)c1 ZINC001275717152 1012912408 /nfs/dbraw/zinc/91/24/08/1012912408.db2.gz WTSDMXDFOHMOFJ-HZPDHXFCSA-N 1 2 351.372 2.973 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)c(F)c(F)c1 ZINC001275717152 1012912420 /nfs/dbraw/zinc/91/24/20/1012912420.db2.gz WTSDMXDFOHMOFJ-HZPDHXFCSA-N 1 2 351.372 2.973 20 30 FFEDLO Cc1ccncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095264304 1013005606 /nfs/dbraw/zinc/00/56/06/1013005606.db2.gz HINCGGRIZCQKHD-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1ccncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095264304 1013005619 /nfs/dbraw/zinc/00/56/19/1013005619.db2.gz HINCGGRIZCQKHD-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ccnn1C(F)F ZINC001097143188 1017102290 /nfs/dbraw/zinc/10/22/90/1017102290.db2.gz JLALIPRPTBTGQL-ZACQAIPSSA-N 1 2 370.403 2.665 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ccnn1C(F)F ZINC001097143188 1017102303 /nfs/dbraw/zinc/10/23/03/1017102303.db2.gz JLALIPRPTBTGQL-ZACQAIPSSA-N 1 2 370.403 2.665 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1CCCC1CCCC1 ZINC001050925632 1017174899 /nfs/dbraw/zinc/17/48/99/1017174899.db2.gz UFXQDIDLXZJILC-ZCNNSNEGSA-N 1 2 364.530 2.755 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1COCC[N@H+]1CCCC1CCCC1 ZINC001050925632 1017174903 /nfs/dbraw/zinc/17/49/03/1017174903.db2.gz UFXQDIDLXZJILC-ZCNNSNEGSA-N 1 2 364.530 2.755 20 30 FFEDLO CCC[C@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110887446 1017200465 /nfs/dbraw/zinc/20/04/65/1017200465.db2.gz LHWRZEZHVVFZMV-YSHGAJCASA-N 1 2 359.445 2.734 20 30 FFEDLO CCC[C@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110887446 1017200475 /nfs/dbraw/zinc/20/04/75/1017200475.db2.gz LHWRZEZHVVFZMV-YSHGAJCASA-N 1 2 359.445 2.734 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2cncs2)C3)c1 ZINC001097275074 1017290616 /nfs/dbraw/zinc/29/06/16/1017290616.db2.gz YARMDOWSBYFUMN-OLMNPRSZSA-N 1 2 370.453 2.618 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2cncs2)C3)c1 ZINC001097275074 1017290625 /nfs/dbraw/zinc/29/06/25/1017290625.db2.gz YARMDOWSBYFUMN-OLMNPRSZSA-N 1 2 370.453 2.618 20 30 FFEDLO N#Cc1sccc1N1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC001217318681 1032689678 /nfs/dbraw/zinc/68/96/78/1032689678.db2.gz NTEKCJFGFORZTI-UHFFFAOYSA-N 1 2 352.423 2.622 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(F)F)nc1C)C2 ZINC001097285658 1017299500 /nfs/dbraw/zinc/29/95/00/1017299500.db2.gz RZOFEVGRXMVEBT-BNOWGMLFSA-N 1 2 358.820 2.544 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(F)F)nc1C)C2 ZINC001097285658 1017299509 /nfs/dbraw/zinc/29/95/09/1017299509.db2.gz RZOFEVGRXMVEBT-BNOWGMLFSA-N 1 2 358.820 2.544 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCC2(F)F)C3)c1 ZINC001097305364 1017315157 /nfs/dbraw/zinc/31/51/57/1017315157.db2.gz TYHVPOTZXMCRJA-SRABZTEZSA-N 1 2 363.383 2.964 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCC2(F)F)C3)c1 ZINC001097305364 1017315173 /nfs/dbraw/zinc/31/51/73/1017315173.db2.gz TYHVPOTZXMCRJA-SRABZTEZSA-N 1 2 363.383 2.964 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cc2cccn2cn1 ZINC001097314925 1017336311 /nfs/dbraw/zinc/33/63/11/1017336311.db2.gz HZZSABLBEQHJRL-SJBKTWHCSA-N 1 2 370.456 2.721 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cc2cccn2cn1 ZINC001097314925 1017336317 /nfs/dbraw/zinc/33/63/17/1017336317.db2.gz HZZSABLBEQHJRL-SJBKTWHCSA-N 1 2 370.456 2.721 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3ccccc3)c1)C2 ZINC001097474861 1017517118 /nfs/dbraw/zinc/51/71/18/1017517118.db2.gz NOUPLMPNGFMVDD-KURKYZTESA-N 1 2 356.857 2.960 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3ccccc3)c1)C2 ZINC001097474861 1017517127 /nfs/dbraw/zinc/51/71/27/1017517127.db2.gz NOUPLMPNGFMVDD-KURKYZTESA-N 1 2 356.857 2.960 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001055466260 1017560062 /nfs/dbraw/zinc/56/00/62/1017560062.db2.gz UXRRCCPZKJZLSH-KURKYZTESA-N 1 2 365.481 2.929 20 30 FFEDLO C=CCCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)ccc3F)C[C@H]21 ZINC001222064535 1032726097 /nfs/dbraw/zinc/72/60/97/1032726097.db2.gz ZKKHXQIGJVVMSW-RDTXWAMCSA-N 1 2 350.409 2.590 20 30 FFEDLO C=CCCOCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)ccc3F)C[C@H]21 ZINC001222064535 1032726111 /nfs/dbraw/zinc/72/61/11/1032726111.db2.gz ZKKHXQIGJVVMSW-RDTXWAMCSA-N 1 2 350.409 2.590 20 30 FFEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927082471 1018353093 /nfs/dbraw/zinc/35/30/93/1018353093.db2.gz BAAJKCZVXWEJCA-FQEVSTJZSA-N 1 2 372.469 2.746 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927099182 1018362650 /nfs/dbraw/zinc/36/26/50/1018362650.db2.gz BFPIGVFDFGGKII-OAHLLOKOSA-N 1 2 350.422 2.824 20 30 FFEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)ccc1OC ZINC000827662777 1018604390 /nfs/dbraw/zinc/60/43/90/1018604390.db2.gz UYRQKUSDWAXJAO-ARFHVFGLSA-N 1 2 368.437 2.530 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CC[C@H]3CN(c4cc[nH+]c(C)n4)C[C@H]32)cc1 ZINC001040881636 1018737122 /nfs/dbraw/zinc/73/71/22/1018737122.db2.gz YPJUMQQWWDLXET-PKOBYXMFSA-N 1 2 364.449 2.701 20 30 FFEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000928652213 1019049770 /nfs/dbraw/zinc/04/97/70/1019049770.db2.gz VWDHWWDKYJETHM-KRWDZBQOSA-N 1 2 368.481 2.786 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2C)cc1 ZINC001042640631 1019089338 /nfs/dbraw/zinc/08/93/38/1019089338.db2.gz DJBFGPFIOHYNIY-RDTXWAMCSA-N 1 2 352.438 2.605 20 30 FFEDLO Cc1cc(C)c(C(=O)N[C@@H]2CN(c3ccc(C#N)c(C)n3)C[C@H]2C)c(C)[nH+]1 ZINC001042683671 1019101639 /nfs/dbraw/zinc/10/16/39/1019101639.db2.gz IULYDWDTHAICNO-FZKQIMNGSA-N 1 2 363.465 2.837 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](CCOC2CCCCCC2)C1 ZINC001042741121 1019130279 /nfs/dbraw/zinc/13/02/79/1019130279.db2.gz MFOPXRFDBXGOSV-UXHICEINSA-N 1 2 364.530 2.850 20 30 FFEDLO CCCCCNC(=O)[C@H](C#N)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000796631008 1019150357 /nfs/dbraw/zinc/15/03/57/1019150357.db2.gz GOPLHWBVMTXUIM-GFCCVEGCSA-N 1 2 362.380 2.638 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CC[C@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)nc1 ZINC001047587669 1019420706 /nfs/dbraw/zinc/42/07/06/1019420706.db2.gz XVKRDVDKAWAYPY-XJKSGUPXSA-N 1 2 360.421 2.840 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c1OCCCO3)C2 ZINC001096239469 1019551474 /nfs/dbraw/zinc/55/14/74/1019551474.db2.gz HLXZKGDXOQBGFB-KBMXLJTQSA-N 1 2 362.857 2.936 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c1OCCCO3)C2 ZINC001096239469 1019551475 /nfs/dbraw/zinc/55/14/75/1019551475.db2.gz HLXZKGDXOQBGFB-KBMXLJTQSA-N 1 2 362.857 2.936 20 30 FFEDLO Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@H]2C)n1 ZINC001043636439 1019552885 /nfs/dbraw/zinc/55/28/85/1019552885.db2.gz CCZBLDNUHPPPQQ-SJKOYZFVSA-N 1 2 364.453 2.550 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](Cc2cccc(OC)c2C)C1 ZINC001044038104 1019640088 /nfs/dbraw/zinc/64/00/88/1019640088.db2.gz SZVJMGLHGFQCOH-ICSRJNTNSA-N 1 2 358.482 2.627 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccccc2)CC1 ZINC000802213165 1019892193 /nfs/dbraw/zinc/89/21/93/1019892193.db2.gz QLAPCRZLWXQICA-UHFFFAOYSA-N 1 2 361.449 2.650 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000930249824 1019947344 /nfs/dbraw/zinc/94/73/44/1019947344.db2.gz UHYBXWMSECQGQB-GFCCVEGCSA-N 1 2 370.375 2.761 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CCc2ccccc2)CC1 ZINC000802285295 1019964982 /nfs/dbraw/zinc/96/49/82/1019964982.db2.gz ALHFAPMIKOWXKO-UHFFFAOYSA-N 1 2 351.498 2.574 20 30 FFEDLO NC(=[NH+]OC[C@@H]1C[C@]12CCOC2)c1ccc(OCc2cccnc2)cc1 ZINC000902227330 1019990264 /nfs/dbraw/zinc/99/02/64/1019990264.db2.gz QYDSCXDUQAACLB-PXNSSMCTSA-N 1 2 353.422 2.724 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnc(OC)nc2C)CCC1 ZINC001110987010 1019998680 /nfs/dbraw/zinc/99/86/80/1019998680.db2.gz FOMCQGAFXYEEGB-KURKYZTESA-N 1 2 370.497 2.762 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnc(OC)nc2C)CCC1 ZINC001110987010 1019998687 /nfs/dbraw/zinc/99/86/87/1019998687.db2.gz FOMCQGAFXYEEGB-KURKYZTESA-N 1 2 370.497 2.762 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)n1 ZINC001096034498 1020020424 /nfs/dbraw/zinc/02/04/24/1020020424.db2.gz DQNBOHBQAYJJMW-NRKLIOEPSA-N 1 2 361.873 2.548 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)n1 ZINC001096034498 1020020434 /nfs/dbraw/zinc/02/04/34/1020020434.db2.gz DQNBOHBQAYJJMW-NRKLIOEPSA-N 1 2 361.873 2.548 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)cn1 ZINC001045745292 1020111096 /nfs/dbraw/zinc/11/10/96/1020111096.db2.gz FOARUBLSXFVBHJ-GVDBMIGSSA-N 1 2 364.453 2.636 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(F)ccc2C#N)O1 ZINC001045851922 1020239562 /nfs/dbraw/zinc/23/95/62/1020239562.db2.gz ALOKFZDGAWESJD-PPRPKMEESA-N 1 2 371.456 2.830 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(F)ccc2C#N)O1 ZINC001045851922 1020239575 /nfs/dbraw/zinc/23/95/75/1020239575.db2.gz ALOKFZDGAWESJD-PPRPKMEESA-N 1 2 371.456 2.830 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CCCc3cccs3)n2CC(C)C)CC1 ZINC000802671610 1020313038 /nfs/dbraw/zinc/31/30/38/1020313038.db2.gz XYMORZPEXALPAJ-UHFFFAOYSA-N 1 2 371.554 2.926 20 30 FFEDLO O=C1C=COC2(CC[NH+](Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)CC2)C1 ZINC000902600051 1020330554 /nfs/dbraw/zinc/33/05/54/1020330554.db2.gz PEQUSKPBXVXXRN-UHFFFAOYSA-N 1 2 368.393 2.754 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCc3nc[nH]c3[C@@H]2c2ccc(F)cc2)CCC1 ZINC000931388749 1020448987 /nfs/dbraw/zinc/44/89/87/1020448987.db2.gz VEYKJZPXCQRGCL-APWZRJJASA-N 1 2 354.429 2.941 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCc3nc[nH]c3[C@@H]2c2ccc(F)cc2)CCC1 ZINC000931388749 1020448994 /nfs/dbraw/zinc/44/89/94/1020448994.db2.gz VEYKJZPXCQRGCL-APWZRJJASA-N 1 2 354.429 2.941 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001046318553 1020583181 /nfs/dbraw/zinc/58/31/81/1020583181.db2.gz COHDXJFZOBUZIM-GUXCAODWSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001046318553 1020583191 /nfs/dbraw/zinc/58/31/91/1020583191.db2.gz COHDXJFZOBUZIM-GUXCAODWSA-N 1 2 359.470 2.614 20 30 FFEDLO CC(C)n1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)n1 ZINC001096093337 1020614469 /nfs/dbraw/zinc/61/44/69/1020614469.db2.gz CFJYDKOSJCICJZ-GIVPXCGWSA-N 1 2 362.477 2.851 20 30 FFEDLO CC(C)n1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)n1 ZINC001096093337 1020614473 /nfs/dbraw/zinc/61/44/73/1020614473.db2.gz CFJYDKOSJCICJZ-GIVPXCGWSA-N 1 2 362.477 2.851 20 30 FFEDLO C[C@@]1(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046500113 1020667457 /nfs/dbraw/zinc/66/74/57/1020667457.db2.gz WRRXOEAUGXTKLK-XJRBWHPUSA-N 1 2 371.456 2.593 20 30 FFEDLO C[C@@]1(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046500113 1020667461 /nfs/dbraw/zinc/66/74/61/1020667461.db2.gz WRRXOEAUGXTKLK-XJRBWHPUSA-N 1 2 371.456 2.593 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000803222789 1020694390 /nfs/dbraw/zinc/69/43/90/1020694390.db2.gz HYRPJQJYSWNYQY-OAHLLOKOSA-N 1 2 352.413 2.869 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccns1 ZINC001098184657 1020713206 /nfs/dbraw/zinc/71/32/06/1020713206.db2.gz FCHXCAVXSYXODO-BMFZPTHFSA-N 1 2 370.478 2.638 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccns1 ZINC001098184657 1020713214 /nfs/dbraw/zinc/71/32/14/1020713214.db2.gz FCHXCAVXSYXODO-BMFZPTHFSA-N 1 2 370.478 2.638 20 30 FFEDLO C/C(=C/C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)C[NH+]1CCOCC1 ZINC000900905408 1020713371 /nfs/dbraw/zinc/71/33/71/1020713371.db2.gz SXQRICLMCXYATD-MOPXBAEHSA-N 1 2 353.466 2.563 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(C(C)(C)C)on2)C1 ZINC001046630869 1020730383 /nfs/dbraw/zinc/73/03/83/1020730383.db2.gz ASYLDNGJHVZELZ-GQIGUUNPSA-N 1 2 361.486 2.644 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2cc(C(C)(C)C)on2)C1 ZINC001046630869 1020730390 /nfs/dbraw/zinc/73/03/90/1020730390.db2.gz ASYLDNGJHVZELZ-GQIGUUNPSA-N 1 2 361.486 2.644 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc3ccccc3o2)nc1 ZINC001098237385 1020753873 /nfs/dbraw/zinc/75/38/73/1020753873.db2.gz QJRLQAYRCUUIFX-LZQZEXGQSA-N 1 2 372.428 2.739 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc3ccccc3o2)nc1 ZINC001098237385 1020753882 /nfs/dbraw/zinc/75/38/82/1020753882.db2.gz QJRLQAYRCUUIFX-LZQZEXGQSA-N 1 2 372.428 2.739 20 30 FFEDLO C[C@@H]([NH2+][C@H](c1ncccn1)C1CC1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000932357682 1020778801 /nfs/dbraw/zinc/77/88/01/1020778801.db2.gz DYDZVNMTSOVHOI-RHELOZEPSA-N 1 2 355.486 2.837 20 30 FFEDLO N#CCCc1ccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000932575309 1020838243 /nfs/dbraw/zinc/83/82/43/1020838243.db2.gz ANMDKTREZALKPO-LJQANCHMSA-N 1 2 356.470 2.861 20 30 FFEDLO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000932694963 1020875188 /nfs/dbraw/zinc/87/51/88/1020875188.db2.gz HDLYEOKHZNPVRR-LJQANCHMSA-N 1 2 363.433 2.549 20 30 FFEDLO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000932694963 1020875193 /nfs/dbraw/zinc/87/51/93/1020875193.db2.gz HDLYEOKHZNPVRR-LJQANCHMSA-N 1 2 363.433 2.549 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001217997355 1032939554 /nfs/dbraw/zinc/93/95/54/1032939554.db2.gz AOFZJGULHVEOAT-VQTJNVASSA-N 1 2 352.478 2.552 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001217997355 1032939567 /nfs/dbraw/zinc/93/95/67/1032939567.db2.gz AOFZJGULHVEOAT-VQTJNVASSA-N 1 2 352.478 2.552 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCN1C(=O)CCC)C2 ZINC001098455454 1020922638 /nfs/dbraw/zinc/92/26/38/1020922638.db2.gz SXTUGWPKCNHARF-NCOADZHNSA-N 1 2 367.921 2.642 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCN1C(=O)CCC)C2 ZINC001098455454 1020922642 /nfs/dbraw/zinc/92/26/42/1020922642.db2.gz SXTUGWPKCNHARF-NCOADZHNSA-N 1 2 367.921 2.642 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OCC3CC3)nc1)C2 ZINC001098460051 1020926179 /nfs/dbraw/zinc/92/61/79/1020926179.db2.gz XVYVHRMWOUAJCS-ZACQAIPSSA-N 1 2 361.873 2.958 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OCC3CC3)nc1)C2 ZINC001098460051 1020926188 /nfs/dbraw/zinc/92/61/88/1020926188.db2.gz XVYVHRMWOUAJCS-ZACQAIPSSA-N 1 2 361.873 2.958 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@H+](CCC(=O)Nc3cc(N)ccc3F)CCO2)cc1 ZINC000933626494 1021052709 /nfs/dbraw/zinc/05/27/09/1021052709.db2.gz BASASRBAXNJETC-IBGZPJMESA-N 1 2 368.412 2.682 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@@H+](CCC(=O)Nc3cc(N)ccc3F)CCO2)cc1 ZINC000933626494 1021052714 /nfs/dbraw/zinc/05/27/14/1021052714.db2.gz BASASRBAXNJETC-IBGZPJMESA-N 1 2 368.412 2.682 20 30 FFEDLO COc1cc(-c2noc(C[NH+]3CCC4(CC3)CC(=O)C=CO4)n2)ccc1C ZINC000933650048 1021058363 /nfs/dbraw/zinc/05/83/63/1021058363.db2.gz XWVQLFQISGBDGI-UHFFFAOYSA-N 1 2 369.421 2.891 20 30 FFEDLO CC(C)[C@@H](NC(=O)C[NH+]1CCC2(CC1)CC(=O)C=CO2)c1ccc(F)cc1 ZINC000933654174 1021061195 /nfs/dbraw/zinc/06/11/95/1021061195.db2.gz PVAJRXIFITZXDH-HXUWFJFHSA-N 1 2 374.456 2.977 20 30 FFEDLO C=CCn1cc2ccc(NC(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)cc2n1 ZINC000933683834 1021068401 /nfs/dbraw/zinc/06/84/01/1021068401.db2.gz KJJASSCFZGPEPX-OAHLLOKOSA-N 1 2 350.426 2.977 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccnc(F)c2)C1 ZINC001098752671 1021110866 /nfs/dbraw/zinc/11/08/66/1021110866.db2.gz MBBNUTGEGNEMDN-BBRMVZONSA-N 1 2 368.250 2.714 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccnc(F)c2)C1 ZINC001098752671 1021110869 /nfs/dbraw/zinc/11/08/69/1021110869.db2.gz MBBNUTGEGNEMDN-BBRMVZONSA-N 1 2 368.250 2.714 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cncc(C)c2)C1 ZINC001098773413 1021132094 /nfs/dbraw/zinc/13/20/94/1021132094.db2.gz HFYHULWFDXOAGV-RDJZCZTQSA-N 1 2 364.287 2.883 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cncc(C)c2)C1 ZINC001098773413 1021132096 /nfs/dbraw/zinc/13/20/96/1021132096.db2.gz HFYHULWFDXOAGV-RDJZCZTQSA-N 1 2 364.287 2.883 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(C)(C)C)oc1C)C2 ZINC001111072202 1021192270 /nfs/dbraw/zinc/19/22/70/1021192270.db2.gz GEVNUKUBFMOZJD-OIISXLGYSA-N 1 2 373.497 2.523 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(C)(C)C)oc1C)C2 ZINC001111072202 1021192280 /nfs/dbraw/zinc/19/22/80/1021192280.db2.gz GEVNUKUBFMOZJD-OIISXLGYSA-N 1 2 373.497 2.523 20 30 FFEDLO CC(C)[C@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000778242774 1021213423 /nfs/dbraw/zinc/21/34/23/1021213423.db2.gz XQPAKCIMVNKCOS-CRAIPNDOSA-N 1 2 350.422 2.580 20 30 FFEDLO CC(C)[C@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000778242774 1021213434 /nfs/dbraw/zinc/21/34/34/1021213434.db2.gz XQPAKCIMVNKCOS-CRAIPNDOSA-N 1 2 350.422 2.580 20 30 FFEDLO N#CCn1c(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)nc2ccccc2c1=O ZINC000829091343 1033001239 /nfs/dbraw/zinc/00/12/39/1033001239.db2.gz LCIHHMUTNDNVPM-KRWDZBQOSA-N 1 2 360.417 2.573 20 30 FFEDLO N#CCn1c(C[N@H+]2CC[C@H](Oc3ccccc3)C2)nc2ccccc2c1=O ZINC000829091343 1033001244 /nfs/dbraw/zinc/00/12/44/1033001244.db2.gz LCIHHMUTNDNVPM-KRWDZBQOSA-N 1 2 360.417 2.573 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(C(=O)/C=C\c3ccccc3)cc2)C[NH2+]1 ZINC001218173112 1033029265 /nfs/dbraw/zinc/02/92/65/1033029265.db2.gz RGTBOGCEPUIOFI-MTBSDAIWSA-N 1 2 351.402 2.865 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C(C)C)o3)[C@H]2C1 ZINC001222546736 1033042406 /nfs/dbraw/zinc/04/24/06/1033042406.db2.gz AMLFCIPJHBRKMX-SJORKVTESA-N 1 2 358.486 2.809 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C(C)C)o3)[C@H]2C1 ZINC001222546736 1033042420 /nfs/dbraw/zinc/04/24/20/1033042420.db2.gz AMLFCIPJHBRKMX-SJORKVTESA-N 1 2 358.486 2.809 20 30 FFEDLO N#Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CC3)C[C@H]1C(F)(F)F ZINC001099313328 1022276589 /nfs/dbraw/zinc/27/65/89/1022276589.db2.gz CHLQAEGFOGKTPE-ARFHVFGLSA-N 1 2 363.383 2.837 20 30 FFEDLO O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O[C@H]1C[NH2+]CC1(F)F ZINC001218235245 1033062999 /nfs/dbraw/zinc/06/29/99/1033062999.db2.gz KFHSHFISUYJEHD-QYDWLILUSA-N 1 2 361.344 2.980 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2ccncc2)cc1F ZINC001038273411 1022648580 /nfs/dbraw/zinc/64/85/80/1022648580.db2.gz OFTRYBYFHXAMJF-CEXWTWQISA-N 1 2 364.424 2.587 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2ccncc2)cc1F ZINC001038273411 1022648587 /nfs/dbraw/zinc/64/85/87/1022648587.db2.gz OFTRYBYFHXAMJF-CEXWTWQISA-N 1 2 364.424 2.587 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1oc(CC)nc1C ZINC001038798792 1022713510 /nfs/dbraw/zinc/71/35/10/1022713510.db2.gz HMETYNKZYTXVIP-BXWFABGCSA-N 1 2 361.486 2.607 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1oc(CC)nc1C ZINC001038798792 1022713518 /nfs/dbraw/zinc/71/35/18/1022713518.db2.gz HMETYNKZYTXVIP-BXWFABGCSA-N 1 2 361.486 2.607 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2cccc(C)c2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001122395503 1023240473 /nfs/dbraw/zinc/24/04/73/1023240473.db2.gz OJMDDXBTINWBHD-WIYYLYMNSA-N 1 2 369.513 2.711 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2cccc(C)c2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001122395503 1023240476 /nfs/dbraw/zinc/24/04/76/1023240476.db2.gz OJMDDXBTINWBHD-WIYYLYMNSA-N 1 2 369.513 2.711 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H](OCC2CC2)C1 ZINC001122400599 1023245520 /nfs/dbraw/zinc/24/55/20/1023245520.db2.gz SMTZPOOIGWSRLY-QGZVFWFLSA-N 1 2 370.501 2.574 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC([C@H]2CCOC2)CC1 ZINC001122441457 1023270237 /nfs/dbraw/zinc/27/02/37/1023270237.db2.gz SHOSXQSUXVYMHX-ROUUACIJSA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC([C@H]2CCOC2)CC1 ZINC001122441457 1023270241 /nfs/dbraw/zinc/27/02/41/1023270241.db2.gz SHOSXQSUXVYMHX-ROUUACIJSA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c([C@H](O)CC)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001122552029 1023335465 /nfs/dbraw/zinc/33/54/65/1023335465.db2.gz BXXZDYCIFIVZAH-GOSISDBHSA-N 1 2 373.476 2.759 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001122566653 1023342965 /nfs/dbraw/zinc/34/29/65/1023342965.db2.gz HRQPLNLFBGBSQL-RBUKOAKNSA-N 1 2 373.545 2.827 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001122625800 1023377143 /nfs/dbraw/zinc/37/71/43/1023377143.db2.gz LQUTZXCZHBSOTG-ROUUACIJSA-N 1 2 359.518 2.988 20 30 FFEDLO COC(=O)c1ccccc1-c1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)o1 ZINC000753937234 1023402381 /nfs/dbraw/zinc/40/23/81/1023402381.db2.gz XAYZWYSHFAHQSL-IAGOWNOFSA-N 1 2 366.421 2.927 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001120831909 1023488356 /nfs/dbraw/zinc/48/83/56/1023488356.db2.gz GXIDAXXKHGKHPA-UAGQMJEPSA-N 1 2 358.486 2.902 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001490856374 1023740859 /nfs/dbraw/zinc/74/08/59/1023740859.db2.gz KGSCWRGMHNCYKU-KYJSFNMBSA-N 1 2 352.438 2.781 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3C(C)(C)C)[C@H]2C1 ZINC001222781625 1033157987 /nfs/dbraw/zinc/15/79/87/1033157987.db2.gz OCAOUMAGJAHHHA-SJORKVTESA-N 1 2 359.518 2.812 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3C(C)(C)C)[C@H]2C1 ZINC001222781625 1033157993 /nfs/dbraw/zinc/15/79/93/1033157993.db2.gz OCAOUMAGJAHHHA-SJORKVTESA-N 1 2 359.518 2.812 20 30 FFEDLO C=CCN(CC=C)c1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1C ZINC001121396973 1023750113 /nfs/dbraw/zinc/75/01/13/1023750113.db2.gz JGQWRUNPAKCUDQ-GOSISDBHSA-N 1 2 353.470 2.567 20 30 FFEDLO C=CCN(CC=C)c1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1C ZINC001121396973 1023750123 /nfs/dbraw/zinc/75/01/23/1023750123.db2.gz JGQWRUNPAKCUDQ-GOSISDBHSA-N 1 2 353.470 2.567 20 30 FFEDLO CCn1cccc1C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001123370104 1023765494 /nfs/dbraw/zinc/76/54/94/1023765494.db2.gz QZVNKXQSWOEMQF-UHFFFAOYSA-N 1 2 358.463 2.610 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)Cc1ccn(C)n1 ZINC001121591175 1023868239 /nfs/dbraw/zinc/86/82/39/1023868239.db2.gz VWHXDKJONKODDP-QGZVFWFLSA-N 1 2 368.489 2.666 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)CCCCc1ccccc1 ZINC001121608176 1023879406 /nfs/dbraw/zinc/87/94/06/1023879406.db2.gz DKSBXCIQSKKILN-RTBURBONSA-N 1 2 369.513 2.661 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)CCCCc1ccccc1 ZINC001121608176 1023879415 /nfs/dbraw/zinc/87/94/15/1023879415.db2.gz DKSBXCIQSKKILN-RTBURBONSA-N 1 2 369.513 2.661 20 30 FFEDLO C#CCCOc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 ZINC000758029748 1023907768 /nfs/dbraw/zinc/90/77/68/1023907768.db2.gz NRWKTFRMQIQIOP-IEBWSBKVSA-N 1 2 369.465 2.937 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC(c2ccco2)CC1 ZINC001121715184 1023942024 /nfs/dbraw/zinc/94/20/24/1023942024.db2.gz SLKKLIFHRKDCHC-UHFFFAOYSA-N 1 2 352.442 2.765 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cncc(F)c2)CCOCC1 ZINC001111332456 1023961904 /nfs/dbraw/zinc/96/19/04/1023961904.db2.gz AERHNUXVPXQIAA-QRVBRYPASA-N 1 2 373.472 2.815 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cncc(F)c2)CCOCC1 ZINC001111332456 1023961913 /nfs/dbraw/zinc/96/19/13/1023961913.db2.gz AERHNUXVPXQIAA-QRVBRYPASA-N 1 2 373.472 2.815 20 30 FFEDLO C#CCN(c1nnc(Cc2[nH+]ccn2C)n1CC)[C@@H]1CCc2ccccc21 ZINC001121770766 1023997233 /nfs/dbraw/zinc/99/72/33/1023997233.db2.gz SKASIQQBZBSFTP-GOSISDBHSA-N 1 2 360.465 2.749 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1scnc1C ZINC001121799909 1024037630 /nfs/dbraw/zinc/03/76/30/1024037630.db2.gz CCKJGYIKONFGLU-UHFFFAOYSA-N 1 2 373.530 2.792 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101203227 1024082563 /nfs/dbraw/zinc/08/25/63/1024082563.db2.gz MGXOONHPCHRCOT-IERDGZPVSA-N 1 2 371.529 2.576 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101203227 1024082582 /nfs/dbraw/zinc/08/25/82/1024082582.db2.gz MGXOONHPCHRCOT-IERDGZPVSA-N 1 2 371.529 2.576 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@H]2C[N@@H+]([C@H](C)c3nc(C(C)C)no3)C[C@@]2(C)C1 ZINC001101230808 1024139808 /nfs/dbraw/zinc/13/98/08/1024139808.db2.gz KFSJDXMPGICLRW-QINHECLXSA-N 1 2 358.486 2.694 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@H]2C[N@H+]([C@H](C)c3nc(C(C)C)no3)C[C@@]2(C)C1 ZINC001101230808 1024139817 /nfs/dbraw/zinc/13/98/17/1024139817.db2.gz KFSJDXMPGICLRW-QINHECLXSA-N 1 2 358.486 2.694 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001101252378 1024201585 /nfs/dbraw/zinc/20/15/85/1024201585.db2.gz LHLNUHUXDKVYHX-MDOVXXIYSA-N 1 2 359.518 2.811 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001101252378 1024201593 /nfs/dbraw/zinc/20/15/93/1024201593.db2.gz LHLNUHUXDKVYHX-MDOVXXIYSA-N 1 2 359.518 2.811 20 30 FFEDLO CCCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1cccc(F)c1C#N ZINC001101259353 1024227567 /nfs/dbraw/zinc/22/75/67/1024227567.db2.gz QBOMERDJIQQNQE-ZIAGYGMSSA-N 1 2 355.417 2.557 20 30 FFEDLO CCCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1cccc(F)c1C#N ZINC001101259353 1024227583 /nfs/dbraw/zinc/22/75/83/1024227583.db2.gz QBOMERDJIQQNQE-ZIAGYGMSSA-N 1 2 355.417 2.557 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CC4)no3)C[C@@]2(C)C1 ZINC001101336564 1024484870 /nfs/dbraw/zinc/48/48/70/1024484870.db2.gz IKKWIERIGNURLU-NBQZKYEYSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CC4)no3)C[C@@]2(C)C1 ZINC001101336564 1024484877 /nfs/dbraw/zinc/48/48/77/1024484877.db2.gz IKKWIERIGNURLU-NBQZKYEYSA-N 1 2 358.486 2.830 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C)n4CC)C[C@@]3(C)C2)CC1 ZINC001101354147 1024531640 /nfs/dbraw/zinc/53/16/40/1024531640.db2.gz SRSULVIMQXQPMW-XLIONFOSSA-N 1 2 371.529 2.633 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C)n4CC)C[C@@]3(C)C2)CC1 ZINC001101354147 1024531647 /nfs/dbraw/zinc/53/16/47/1024531647.db2.gz SRSULVIMQXQPMW-XLIONFOSSA-N 1 2 371.529 2.633 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101378033 1024584109 /nfs/dbraw/zinc/58/41/09/1024584109.db2.gz OLIVFBIINPCBPR-QRWLVFNGSA-N 1 2 359.518 2.811 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101378033 1024584118 /nfs/dbraw/zinc/58/41/18/1024584118.db2.gz OLIVFBIINPCBPR-QRWLVFNGSA-N 1 2 359.518 2.811 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000951699749 1024661111 /nfs/dbraw/zinc/66/11/11/1024661111.db2.gz MNPOCWBIEQCARA-SXLOBPIMSA-N 1 2 358.457 2.938 20 30 FFEDLO N#CCOc1ccccc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000194170750 1024753197 /nfs/dbraw/zinc/75/31/97/1024753197.db2.gz OBHTXERPSYGBJP-UHFFFAOYSA-N 1 2 350.422 2.904 20 30 FFEDLO C=CC(C)(C)C(=O)N1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000952921301 1025195977 /nfs/dbraw/zinc/19/59/77/1025195977.db2.gz AAGDNHDEPSOSBN-ZOCZFRKYSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CC(C)(C)C(=O)N1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000952921301 1025195983 /nfs/dbraw/zinc/19/59/83/1025195983.db2.gz AAGDNHDEPSOSBN-ZOCZFRKYSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1nc(C)cc1C)C2 ZINC001111410669 1025229010 /nfs/dbraw/zinc/22/90/10/1025229010.db2.gz QGAPWPGKYOYYAD-HZMVEIRTSA-N 1 2 350.894 2.925 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1nc(C)cc1C)C2 ZINC001111410669 1025229015 /nfs/dbraw/zinc/22/90/15/1025229015.db2.gz QGAPWPGKYOYYAD-HZMVEIRTSA-N 1 2 350.894 2.925 20 30 FFEDLO C#CCC1(C(=O)NC[C@@H]2C[N@@H+](Cc3nccn3C(F)F)C[C@H]2C)CCC1 ZINC001102035989 1025329911 /nfs/dbraw/zinc/32/99/11/1025329911.db2.gz KXRNDSLZLBSYQP-HUUCEWRRSA-N 1 2 364.440 2.656 20 30 FFEDLO C#CCC1(C(=O)NC[C@@H]2C[N@H+](Cc3nccn3C(F)F)C[C@H]2C)CCC1 ZINC001102035989 1025329920 /nfs/dbraw/zinc/32/99/20/1025329920.db2.gz KXRNDSLZLBSYQP-HUUCEWRRSA-N 1 2 364.440 2.656 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ncc(Cl)nc3Cl)C2)C1=O ZINC001141134356 1025497796 /nfs/dbraw/zinc/49/77/96/1025497796.db2.gz YMABMEYQCKFGGA-MRXNPFEDSA-N 1 2 355.269 2.784 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+](Cc3ncc(Cl)nc3Cl)C2)C1=O ZINC001141134356 1025497803 /nfs/dbraw/zinc/49/78/03/1025497803.db2.gz YMABMEYQCKFGGA-MRXNPFEDSA-N 1 2 355.269 2.784 20 30 FFEDLO N#Cc1cc(F)ccc1C[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC001141162840 1025546614 /nfs/dbraw/zinc/54/66/14/1025546614.db2.gz HGQOWNDCFOROQF-UHFFFAOYSA-N 1 2 364.424 2.626 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@@H+](Cc3nnc(C(C)(C)C)[nH]3)C[C@H]2C)C1 ZINC001102348106 1025785219 /nfs/dbraw/zinc/78/52/19/1025785219.db2.gz PNZXQILYNCXADC-HUUCEWRRSA-N 1 2 359.518 2.643 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@H+](Cc3nnc(C(C)(C)C)[nH]3)C[C@H]2C)C1 ZINC001102348106 1025785237 /nfs/dbraw/zinc/78/52/37/1025785237.db2.gz PNZXQILYNCXADC-HUUCEWRRSA-N 1 2 359.518 2.643 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001102407135 1025912487 /nfs/dbraw/zinc/91/24/87/1025912487.db2.gz PTZYRQRLQOEWCS-RRFJBIMHSA-N 1 2 367.428 2.557 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001102407135 1025912494 /nfs/dbraw/zinc/91/24/94/1025912494.db2.gz PTZYRQRLQOEWCS-RRFJBIMHSA-N 1 2 367.428 2.557 20 30 FFEDLO C=CCN1CC[C@H](N(C)C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)C1=O ZINC000640176474 1026630008 /nfs/dbraw/zinc/63/00/08/1026630008.db2.gz MMVBDDKUHSBPFD-KRWDZBQOSA-N 1 2 367.453 2.551 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1ccccc1 ZINC000839460100 1026684446 /nfs/dbraw/zinc/68/44/46/1026684446.db2.gz XZILVTFKVFVWDL-UHFFFAOYSA-N 1 2 369.490 2.962 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1ccccc1 ZINC000839460100 1026684455 /nfs/dbraw/zinc/68/44/55/1026684455.db2.gz XZILVTFKVFVWDL-UHFFFAOYSA-N 1 2 369.490 2.962 20 30 FFEDLO CN1C(=O)CC[C@H]2C[N@@H+](Cc3ccc(Br)cc3C#N)CC[C@H]21 ZINC001141818582 1027009908 /nfs/dbraw/zinc/00/99/08/1027009908.db2.gz KSRGHQKXKGKAFU-XJKSGUPXSA-N 1 2 362.271 2.763 20 30 FFEDLO CN1C(=O)CC[C@H]2C[N@H+](Cc3ccc(Br)cc3C#N)CC[C@H]21 ZINC001141818582 1027009915 /nfs/dbraw/zinc/00/99/15/1027009915.db2.gz KSRGHQKXKGKAFU-XJKSGUPXSA-N 1 2 362.271 2.763 20 30 FFEDLO N#Cc1ccnc(N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1F ZINC001158587017 1027069080 /nfs/dbraw/zinc/06/90/80/1027069080.db2.gz UMVVLOAOOPFLPT-NVXWUHKLSA-N 1 2 368.412 2.963 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCCN(c2cc(N(CCC)CCC)[nH+]cn2)C1 ZINC001158911705 1027186473 /nfs/dbraw/zinc/18/64/73/1027186473.db2.gz SZFLRZAPGZQSOO-MRXNPFEDSA-N 1 2 361.490 2.984 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCCN(c2cc(N(CCC)CCC)nc[nH+]2)C1 ZINC001158911705 1027186478 /nfs/dbraw/zinc/18/64/78/1027186478.db2.gz SZFLRZAPGZQSOO-MRXNPFEDSA-N 1 2 361.490 2.984 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)C1 ZINC001158915247 1027187718 /nfs/dbraw/zinc/18/77/18/1027187718.db2.gz PWVDOIIETILJIF-JKSUJKDBSA-N 1 2 359.474 2.594 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCCN(c2cc(N3CCC[C@H](C)C3)nc[nH+]2)C1 ZINC001158915247 1027187737 /nfs/dbraw/zinc/18/77/37/1027187737.db2.gz PWVDOIIETILJIF-JKSUJKDBSA-N 1 2 359.474 2.594 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1ncc(C#N)cc1Cl)C[NH2+]C2(C)C ZINC001159655262 1027457245 /nfs/dbraw/zinc/45/72/45/1027457245.db2.gz VIXZMEUXPXPRTO-UHFFFAOYSA-N 1 2 360.805 2.890 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1nc3c(cc1C#N)CCC3)C[NH2+]C2(C)C ZINC001159661178 1027459213 /nfs/dbraw/zinc/45/92/13/1027459213.db2.gz AITBUBRREKIUQR-UHFFFAOYSA-N 1 2 366.425 2.725 20 30 FFEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000092915531 1027507348 /nfs/dbraw/zinc/50/73/48/1027507348.db2.gz URUSIJJPYVJHCH-UHFFFAOYSA-N 1 2 367.453 2.542 20 30 FFEDLO C=CC[N@H+]1CCC[C@H]1CNc1c(Cl)nc(N2CCOCC2)nc1Cl ZINC001160954561 1027942016 /nfs/dbraw/zinc/94/20/16/1027942016.db2.gz YQOZUGHDAMSVLO-LBPRGKRZSA-N 1 2 372.300 2.682 20 30 FFEDLO C=CC[N@@H+]1CCC[C@H]1CNc1c(Cl)nc(N2CCOCC2)nc1Cl ZINC001160954561 1027942030 /nfs/dbraw/zinc/94/20/30/1027942030.db2.gz YQOZUGHDAMSVLO-LBPRGKRZSA-N 1 2 372.300 2.682 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)NCCC1=CC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001161248755 1028093079 /nfs/dbraw/zinc/09/30/79/1028093079.db2.gz KCYWNGUNJDDWGA-QRWLVFNGSA-N 1 2 371.456 2.761 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)NCCC1=CC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001161248755 1028093093 /nfs/dbraw/zinc/09/30/93/1028093093.db2.gz KCYWNGUNJDDWGA-QRWLVFNGSA-N 1 2 371.456 2.761 20 30 FFEDLO [NH3+]Cc1ccc(S(=O)(=O)Nc2cc(/C=N/O)cc(C(F)(F)F)c2)cc1 ZINC001161751920 1028303692 /nfs/dbraw/zinc/30/36/92/1028303692.db2.gz NDJANWFUOIEBKZ-AWQFTUOYSA-N 1 2 373.356 2.773 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnsc2Cl)C1 ZINC001104126552 1028591118 /nfs/dbraw/zinc/59/11/18/1028591118.db2.gz PENQRWLJHTYVGN-CHWSQXEVSA-N 1 2 354.907 2.569 20 30 FFEDLO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1NCc1ccc(C#N)cn1 ZINC000780612436 1028747967 /nfs/dbraw/zinc/74/79/67/1028747967.db2.gz WVETUTRBZKBKFH-UHFFFAOYSA-N 1 2 362.389 2.721 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C3CCC3)n1C)C2 ZINC001111650074 1029047410 /nfs/dbraw/zinc/04/74/10/1029047410.db2.gz DHVRNHOZGMZIEL-JXFKEZNVSA-N 1 2 357.502 2.520 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C3CCC3)n1C)C2 ZINC001111650074 1029047423 /nfs/dbraw/zinc/04/74/23/1029047423.db2.gz DHVRNHOZGMZIEL-JXFKEZNVSA-N 1 2 357.502 2.520 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1C(C)C)C2 ZINC001111711449 1029209932 /nfs/dbraw/zinc/20/99/32/1029209932.db2.gz UIKAKHSLBQXWSX-PXNSSMCTSA-N 1 2 357.502 2.523 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1C(C)C)C2 ZINC001111711449 1029209946 /nfs/dbraw/zinc/20/99/46/1029209946.db2.gz UIKAKHSLBQXWSX-PXNSSMCTSA-N 1 2 357.502 2.523 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(CC)nn1)C2 ZINC001111759941 1029366026 /nfs/dbraw/zinc/36/60/26/1029366026.db2.gz QMDAUFZFVXCRAX-PXNSSMCTSA-N 1 2 357.502 2.537 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(CC)nn1)C2 ZINC001111759941 1029366041 /nfs/dbraw/zinc/36/60/41/1029366041.db2.gz QMDAUFZFVXCRAX-PXNSSMCTSA-N 1 2 357.502 2.537 20 30 FFEDLO C[C@H](Nc1nc(N2CCCC2)[nH+]c(N2CCCC2)n1)c1cccc(C#N)c1 ZINC001156876010 1029384699 /nfs/dbraw/zinc/38/46/99/1029384699.db2.gz GGUPAJJNHALRKP-HNNXBMFYSA-N 1 2 363.469 2.539 20 30 FFEDLO COCCO[C@@H]1CC[N@H+](CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C1 ZINC000781963608 1029497115 /nfs/dbraw/zinc/49/71/15/1029497115.db2.gz LZVVCSUIQSOGEV-UOBPLZBXSA-N 1 2 358.482 2.604 20 30 FFEDLO COCCO[C@@H]1CC[N@@H+](CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C1 ZINC000781963608 1029497124 /nfs/dbraw/zinc/49/71/24/1029497124.db2.gz LZVVCSUIQSOGEV-UOBPLZBXSA-N 1 2 358.482 2.604 20 30 FFEDLO COC(=O)[C@H]1CN(c2ccc(CC#N)c(C)[nH+]2)C[C@@H]1c1ccc(F)cc1 ZINC001157302367 1029543290 /nfs/dbraw/zinc/54/32/90/1029543290.db2.gz NYTPNZONIZESJF-MSOLQXFVSA-N 1 2 353.397 2.988 20 30 FFEDLO CCN(C1C[NH+](C)C1)C(F)(F)c1nc(Cl)c(C#N)c(C(F)(F)F)n1 ZINC001157461934 1029590254 /nfs/dbraw/zinc/59/02/54/1029590254.db2.gz VLKBPJPKXRHWGD-UHFFFAOYSA-N 1 2 369.725 2.706 20 30 FFEDLO C=CCOc1cn(-c2ccccc2)nc1C(=O)OCCCn1cc[nH+]c1 ZINC000782290134 1029642787 /nfs/dbraw/zinc/64/27/87/1029642787.db2.gz ZHTRRZZKYARFQS-UHFFFAOYSA-N 1 2 352.394 2.881 20 30 FFEDLO O=C(C(F)C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C/C=C\Cl)C1 ZINC001112104404 1030015239 /nfs/dbraw/zinc/01/52/39/1030015239.db2.gz HPXFWIDFFFMLME-HJSFZVJQSA-N 1 2 356.669 2.618 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001112157016 1030114049 /nfs/dbraw/zinc/11/40/49/1030114049.db2.gz MJAOOFLZGIXFHD-HZPDHXFCSA-N 1 2 370.419 2.665 20 30 FFEDLO COC(=O)COc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000783500246 1030125862 /nfs/dbraw/zinc/12/58/62/1030125862.db2.gz CALITWCYNHLEKP-FQEVSTJZSA-N 1 2 366.417 2.684 20 30 FFEDLO COC(=O)COc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000783500246 1030125872 /nfs/dbraw/zinc/12/58/72/1030125872.db2.gz CALITWCYNHLEKP-FQEVSTJZSA-N 1 2 366.417 2.684 20 30 FFEDLO N#CCC1C[NH+](Cc2c(Br)cccc2N2CCOCC2)C1 ZINC001142309396 1030301195 /nfs/dbraw/zinc/30/11/95/1030301195.db2.gz FCJMCHLMEQDOQZ-UHFFFAOYSA-N 1 2 350.260 2.631 20 30 FFEDLO Cc1ccc(N2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)cc1 ZINC000784388705 1030598301 /nfs/dbraw/zinc/59/83/01/1030598301.db2.gz NPEADAHAWBNQBT-GOSISDBHSA-N 1 2 354.498 2.848 20 30 FFEDLO CCOC(=O)c1csc(N2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC001203762747 1030872322 /nfs/dbraw/zinc/87/23/22/1030872322.db2.gz QTUPLBVUWVOXML-UHFFFAOYSA-N 1 2 356.451 2.514 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(O)c(OCC)c1 ZINC001204129888 1031120926 /nfs/dbraw/zinc/12/09/26/1031120926.db2.gz VVGXZTZAHCKWFS-KRWDZBQOSA-N 1 2 357.454 2.826 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(O)c(OCC)c1 ZINC001204129888 1031120930 /nfs/dbraw/zinc/12/09/30/1031120930.db2.gz VVGXZTZAHCKWFS-KRWDZBQOSA-N 1 2 357.454 2.826 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)c1F ZINC001143169970 1031282467 /nfs/dbraw/zinc/28/24/67/1031282467.db2.gz BCMFQEITMCFNDW-QRWLVFNGSA-N 1 2 371.387 2.759 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)c1F ZINC001143169970 1031282474 /nfs/dbraw/zinc/28/24/74/1031282474.db2.gz BCMFQEITMCFNDW-QRWLVFNGSA-N 1 2 371.387 2.759 20 30 FFEDLO C#C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C)C(C)C ZINC000799386102 1031756227 /nfs/dbraw/zinc/75/62/27/1031756227.db2.gz PZTQSXDAPTXPLS-IEBWSBKVSA-N 1 2 357.498 2.959 20 30 FFEDLO C#C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C)C(C)C ZINC000799386102 1031756241 /nfs/dbraw/zinc/75/62/41/1031756241.db2.gz PZTQSXDAPTXPLS-IEBWSBKVSA-N 1 2 357.498 2.959 20 30 FFEDLO N#Cc1ccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1F ZINC001205615848 1031873277 /nfs/dbraw/zinc/87/32/77/1031873277.db2.gz WLGJPGTUZHFGEK-OAHLLOKOSA-N 1 2 362.202 2.776 20 30 FFEDLO C=CCN(CC(=O)OCC)C(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC001151282918 1031909583 /nfs/dbraw/zinc/90/95/83/1031909583.db2.gz CDCLUIMMTSHSNP-UHFFFAOYSA-N 1 2 352.862 2.740 20 30 FFEDLO C=CCN(CC(=O)OCC)C(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC001151282918 1031909593 /nfs/dbraw/zinc/90/95/93/1031909593.db2.gz CDCLUIMMTSHSNP-UHFFFAOYSA-N 1 2 352.862 2.740 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)cc1 ZINC001151785192 1032028439 /nfs/dbraw/zinc/02/84/39/1032028439.db2.gz FBNMAYFUKBSBMG-UHFFFAOYSA-N 1 2 364.445 2.513 20 30 FFEDLO CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2CC3(C2)CS(=O)C3)cc1 ZINC001137900276 1033316476 /nfs/dbraw/zinc/31/64/76/1033316476.db2.gz YCDOYWVHIVCDOW-UHFFFAOYSA-N 1 2 351.475 2.890 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3cn(CC4CC4)nn3)[C@H]2C1 ZINC001223338175 1033400947 /nfs/dbraw/zinc/40/09/47/1033400947.db2.gz JDYZWDVLGBAHAC-HQRMLTQVSA-N 1 2 371.529 2.713 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(CC4CC4)nn3)[C@H]2C1 ZINC001223338175 1033400952 /nfs/dbraw/zinc/40/09/52/1033400952.db2.gz JDYZWDVLGBAHAC-HQRMLTQVSA-N 1 2 371.529 2.713 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(C(C)C)nn3)[C@H]2C1 ZINC001223338199 1033401898 /nfs/dbraw/zinc/40/18/98/1033401898.db2.gz JSWXEIUWXYDFTR-LMMKCTJWSA-N 1 2 359.518 2.884 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cn(C(C)C)nn3)[C@H]2C1 ZINC001223338199 1033401901 /nfs/dbraw/zinc/40/19/01/1033401901.db2.gz JSWXEIUWXYDFTR-LMMKCTJWSA-N 1 2 359.518 2.884 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(C)n4CC)[C@H]3C2)CCC1 ZINC001223459825 1033453718 /nfs/dbraw/zinc/45/37/18/1033453718.db2.gz TWETZHKWTJMYBV-MSOLQXFVSA-N 1 2 371.529 2.776 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc(C)n4CC)[C@H]3C2)CCC1 ZINC001223459825 1033453723 /nfs/dbraw/zinc/45/37/23/1033453723.db2.gz TWETZHKWTJMYBV-MSOLQXFVSA-N 1 2 371.529 2.776 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC(=O)Nc1c(C)cccc1C ZINC001276913469 1033558083 /nfs/dbraw/zinc/55/80/83/1033558083.db2.gz CSNPLPVJXKUHPR-NRFANRHFSA-N 1 2 355.482 2.885 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC(=O)Nc1c(C)cccc1C ZINC001276913469 1033558088 /nfs/dbraw/zinc/55/80/88/1033558088.db2.gz CSNPLPVJXKUHPR-NRFANRHFSA-N 1 2 355.482 2.885 20 30 FFEDLO C[C@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC2(CCC2)O1 ZINC000830728404 1033767825 /nfs/dbraw/zinc/76/78/25/1033767825.db2.gz GYFCCXFGXLPVAU-HOCLYGCPSA-N 1 2 362.433 2.867 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC2(CCC2)O1 ZINC000830728404 1033767839 /nfs/dbraw/zinc/76/78/39/1033767839.db2.gz GYFCCXFGXLPVAU-HOCLYGCPSA-N 1 2 362.433 2.867 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)c(Cl)cc1O ZINC001276967516 1033865143 /nfs/dbraw/zinc/86/51/43/1033865143.db2.gz NNGRLPVGHYTUPX-GOSISDBHSA-N 1 2 350.821 2.775 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)c(Cl)cc1O ZINC001276967516 1033865153 /nfs/dbraw/zinc/86/51/53/1033865153.db2.gz NNGRLPVGHYTUPX-GOSISDBHSA-N 1 2 350.821 2.775 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)c2ccc(F)cc2F)C[C@@H]1O ZINC001220185492 1034028753 /nfs/dbraw/zinc/02/87/53/1034028753.db2.gz DHDIYWHPOPLSBJ-QYZOEREBSA-N 1 2 364.436 2.771 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)c2ccc(F)cc2F)C[C@@H]1O ZINC001220185492 1034028760 /nfs/dbraw/zinc/02/87/60/1034028760.db2.gz DHDIYWHPOPLSBJ-QYZOEREBSA-N 1 2 364.436 2.771 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C[C@@H]1O ZINC001220247518 1034069070 /nfs/dbraw/zinc/06/90/70/1034069070.db2.gz FYYXAEVJFNYAMR-NXHRZFHOSA-N 1 2 369.465 2.920 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C[C@@H]1O ZINC001220247518 1034069077 /nfs/dbraw/zinc/06/90/77/1034069077.db2.gz FYYXAEVJFNYAMR-NXHRZFHOSA-N 1 2 369.465 2.920 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3nc4ccccc4o3)C[C@@H]2O)CCC1 ZINC001220293682 1034104320 /nfs/dbraw/zinc/10/43/20/1034104320.db2.gz QJQFSUOGCZTILX-OIISXLGYSA-N 1 2 369.465 2.797 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3nc4ccccc4o3)C[C@@H]2O)CCC1 ZINC001220293682 1034104329 /nfs/dbraw/zinc/10/43/29/1034104329.db2.gz QJQFSUOGCZTILX-OIISXLGYSA-N 1 2 369.465 2.797 20 30 FFEDLO CCOCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C#N)cc2Cl)C1=O ZINC001277031174 1034196593 /nfs/dbraw/zinc/19/65/93/1034196593.db2.gz WBDBOWSABWFPAD-IBGZPJMESA-N 1 2 361.873 2.815 20 30 FFEDLO CCOCCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C#N)cc2Cl)C1=O ZINC001277031174 1034196594 /nfs/dbraw/zinc/19/65/94/1034196594.db2.gz WBDBOWSABWFPAD-IBGZPJMESA-N 1 2 361.873 2.815 20 30 FFEDLO CCCCC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001220497768 1034224017 /nfs/dbraw/zinc/22/40/17/1034224017.db2.gz JSXUHJGMVYVJTG-OLMNPRSZSA-N 1 2 363.527 2.888 20 30 FFEDLO CCCCC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001220497768 1034224035 /nfs/dbraw/zinc/22/40/35/1034224035.db2.gz JSXUHJGMVYVJTG-OLMNPRSZSA-N 1 2 363.527 2.888 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)C1CCCCC1 ZINC001220539846 1034246299 /nfs/dbraw/zinc/24/62/99/1034246299.db2.gz UTKPEEZNDYKEBZ-QIJUGHKUSA-N 1 2 368.521 2.806 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)C1CCCCC1 ZINC001220539846 1034246316 /nfs/dbraw/zinc/24/63/16/1034246316.db2.gz UTKPEEZNDYKEBZ-QIJUGHKUSA-N 1 2 368.521 2.806 20 30 FFEDLO COC(=O)c1ccc(C(=[NH2+])NC(O)=C(N)c2ccc3ccccc3c2)cc1 ZINC001220579408 1034265831 /nfs/dbraw/zinc/26/58/31/1034265831.db2.gz QZKQXEVWTBODCX-GOSISDBHSA-N 1 2 361.401 2.558 20 30 FFEDLO N#Cc1cccnc1NCc1cccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC001138457198 1034295585 /nfs/dbraw/zinc/29/55/85/1034295585.db2.gz ANZNUNVJDHIQBJ-SFHVURJKSA-N 1 2 372.432 2.507 20 30 FFEDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C2(C#N)CCOCC2)CC1 ZINC000831874617 1034370705 /nfs/dbraw/zinc/37/07/05/1034370705.db2.gz YRKHBTWOCFEEOF-SFHVURJKSA-N 1 2 359.445 2.741 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@H](CCNC(=O)OC(C)(C)C)C2)cc1 ZINC001138555331 1034406140 /nfs/dbraw/zinc/40/61/40/1034406140.db2.gz XPIXZYLYWSAZDZ-LJQANCHMSA-N 1 2 374.481 2.814 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2CCO[C@H](CCNC(=O)OC(C)(C)C)C2)cc1 ZINC001138555331 1034406142 /nfs/dbraw/zinc/40/61/42/1034406142.db2.gz XPIXZYLYWSAZDZ-LJQANCHMSA-N 1 2 374.481 2.814 20 30 FFEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001220836973 1034419336 /nfs/dbraw/zinc/41/93/36/1034419336.db2.gz NDIVOVDDPHNYQP-MOPGFXCFSA-N 1 2 364.534 2.612 20 30 FFEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001220836973 1034419341 /nfs/dbraw/zinc/41/93/41/1034419341.db2.gz NDIVOVDDPHNYQP-MOPGFXCFSA-N 1 2 364.534 2.612 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@@H]1O ZINC001220841159 1034423720 /nfs/dbraw/zinc/42/37/20/1034423720.db2.gz LNYXRECJPBZSAF-MSOLQXFVSA-N 1 2 351.491 2.785 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@@H]1O ZINC001220841159 1034423726 /nfs/dbraw/zinc/42/37/26/1034423726.db2.gz LNYXRECJPBZSAF-MSOLQXFVSA-N 1 2 351.491 2.785 20 30 FFEDLO COC(=O)c1cc(C#N)ccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226306390 1034623084 /nfs/dbraw/zinc/62/30/84/1034623084.db2.gz XAVYIFISLFZPQJ-SFHVURJKSA-N 1 2 366.417 2.625 20 30 FFEDLO COC(=O)c1cc(C#N)ccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226306390 1034623089 /nfs/dbraw/zinc/62/30/89/1034623089.db2.gz XAVYIFISLFZPQJ-SFHVURJKSA-N 1 2 366.417 2.625 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221395489 1034710897 /nfs/dbraw/zinc/71/08/97/1034710897.db2.gz AIDDCGRTPQQQDI-NSISKUIASA-N 1 2 355.482 2.652 20 30 FFEDLO CC(C)CO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221395489 1034710906 /nfs/dbraw/zinc/71/09/06/1034710906.db2.gz AIDDCGRTPQQQDI-NSISKUIASA-N 1 2 355.482 2.652 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221422148 1034737905 /nfs/dbraw/zinc/73/79/05/1034737905.db2.gz RUPOANIXCZMZKJ-WRWLIDTKSA-N 1 2 371.456 2.711 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221422148 1034737918 /nfs/dbraw/zinc/73/79/18/1034737918.db2.gz RUPOANIXCZMZKJ-WRWLIDTKSA-N 1 2 371.456 2.711 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc(F)c3)C[C@H]21 ZINC001221424838 1034741621 /nfs/dbraw/zinc/74/16/21/1034741621.db2.gz PWVAWWIJDNWVML-IIDMSEBBSA-N 1 2 359.445 2.652 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc(F)c3)C[C@H]21 ZINC001221424838 1034741630 /nfs/dbraw/zinc/74/16/30/1034741630.db2.gz PWVAWWIJDNWVML-IIDMSEBBSA-N 1 2 359.445 2.652 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C)C[C@H]21 ZINC001221512580 1034830148 /nfs/dbraw/zinc/83/01/48/1034830148.db2.gz HEMHYMVBSFGSKH-NLWGTHIKSA-N 1 2 367.493 2.658 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C)C[C@H]21 ZINC001221512580 1034830157 /nfs/dbraw/zinc/83/01/57/1034830157.db2.gz HEMHYMVBSFGSKH-NLWGTHIKSA-N 1 2 367.493 2.658 20 30 FFEDLO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)[nH]n3)[C@@H]2C1 ZINC001221584016 1034894697 /nfs/dbraw/zinc/89/46/97/1034894697.db2.gz ZOLDOJICBJYKDT-YRGRVCCFSA-N 1 2 367.291 2.673 20 30 FFEDLO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)[nH]n3)[C@@H]2C1 ZINC001221584016 1034894701 /nfs/dbraw/zinc/89/47/01/1034894701.db2.gz ZOLDOJICBJYKDT-YRGRVCCFSA-N 1 2 367.291 2.673 20 30 FFEDLO C=CCc1c(O)ccc(C(C)=O)c1O[C@@H]1C[C@@H]2[C@H](OC(C)=O)C[C@H](C1)[N@H+]2C ZINC001227122296 1034939978 /nfs/dbraw/zinc/93/99/78/1034939978.db2.gz KQJVRBJCQWLBOU-AIUZKBQUSA-N 1 2 373.449 2.869 20 30 FFEDLO C=CCc1c(O)ccc(C(C)=O)c1O[C@@H]1C[C@@H]2[C@H](OC(C)=O)C[C@H](C1)[N@@H+]2C ZINC001227122296 1034939985 /nfs/dbraw/zinc/93/99/85/1034939985.db2.gz KQJVRBJCQWLBOU-AIUZKBQUSA-N 1 2 373.449 2.869 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221754452 1035041025 /nfs/dbraw/zinc/04/10/25/1035041025.db2.gz KDCPOJUKRFTPGL-UYAOXDASSA-N 1 2 353.441 2.924 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221754452 1035041034 /nfs/dbraw/zinc/04/10/34/1035041034.db2.gz KDCPOJUKRFTPGL-UYAOXDASSA-N 1 2 353.441 2.924 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](CC(=O)Nc4ccccc4)C[C@H]32)CCC1 ZINC001221797859 1035079166 /nfs/dbraw/zinc/07/91/66/1035079166.db2.gz JXQYDRRCSVHTQV-IEBWSBKVSA-N 1 2 367.493 2.904 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)Nc4ccccc4)C[C@H]32)CCC1 ZINC001221797859 1035079171 /nfs/dbraw/zinc/07/91/71/1035079171.db2.gz JXQYDRRCSVHTQV-IEBWSBKVSA-N 1 2 367.493 2.904 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4ccccc4)o3)[C@@H]2C1 ZINC001221824195 1035094137 /nfs/dbraw/zinc/09/41/37/1035094137.db2.gz GWKRXZCBHWCGSY-RTBURBONSA-N 1 2 364.445 2.743 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4ccccc4)o3)[C@@H]2C1 ZINC001221824195 1035094146 /nfs/dbraw/zinc/09/41/46/1035094146.db2.gz GWKRXZCBHWCGSY-RTBURBONSA-N 1 2 364.445 2.743 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c1 ZINC001139649246 1035189539 /nfs/dbraw/zinc/18/95/39/1035189539.db2.gz VDKIIFZWUCLSLT-SJORKVTESA-N 1 2 356.426 2.643 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c1 ZINC001139649246 1035189543 /nfs/dbraw/zinc/18/95/43/1035189543.db2.gz VDKIIFZWUCLSLT-SJORKVTESA-N 1 2 356.426 2.643 20 30 FFEDLO Cc1noc(C[C@H]2C[C@H]3C[N@H+](Cc4cccc(Cl)c4C#N)C[C@H]3O2)n1 ZINC001139689780 1035198650 /nfs/dbraw/zinc/19/86/50/1035198650.db2.gz UAAKRGFRYOUNFG-JJRVBVJISA-N 1 2 358.829 2.735 20 30 FFEDLO Cc1noc(C[C@H]2C[C@H]3C[N@@H+](Cc4cccc(Cl)c4C#N)C[C@H]3O2)n1 ZINC001139689780 1035198653 /nfs/dbraw/zinc/19/86/53/1035198653.db2.gz UAAKRGFRYOUNFG-JJRVBVJISA-N 1 2 358.829 2.735 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3COC[C@H]32)c(F)c1 ZINC001140136956 1035354706 /nfs/dbraw/zinc/35/47/06/1035354706.db2.gz UQXZVOBWWVUPQN-DFQSSKMNSA-N 1 2 353.397 2.508 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H](OCc3cccnc3)[C@H]3COC[C@H]32)c(F)c1 ZINC001140136956 1035354712 /nfs/dbraw/zinc/35/47/12/1035354712.db2.gz UQXZVOBWWVUPQN-DFQSSKMNSA-N 1 2 353.397 2.508 20 30 FFEDLO CC(C)(C)n1ncc2c1nc(N[NH+]=C1CCc3cc(N)ccc31)[nH]c2=O ZINC000834957958 1035482419 /nfs/dbraw/zinc/48/24/19/1035482419.db2.gz YRCXQRFXTMPXHF-UHFFFAOYSA-N 1 2 351.414 2.632 20 30 FFEDLO C#CCn1ccc(C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CCOC)n1 ZINC000835055377 1035494571 /nfs/dbraw/zinc/49/45/71/1035494571.db2.gz ZBEZTVBBUSRTAH-VOTSOKGWSA-N 1 2 352.482 2.744 20 30 FFEDLO C#CCn1ccc(C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CCOC)n1 ZINC000835055377 1035494575 /nfs/dbraw/zinc/49/45/75/1035494575.db2.gz ZBEZTVBBUSRTAH-VOTSOKGWSA-N 1 2 352.482 2.744 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(OCC)ncc1Cl ZINC001277206929 1035543605 /nfs/dbraw/zinc/54/36/05/1035543605.db2.gz BQCSNFXVJIRKLT-LJQANCHMSA-N 1 2 361.873 2.724 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(OCC)ncc1Cl ZINC001277206929 1035543609 /nfs/dbraw/zinc/54/36/09/1035543609.db2.gz BQCSNFXVJIRKLT-LJQANCHMSA-N 1 2 361.873 2.724 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)cn1 ZINC001140541516 1035595614 /nfs/dbraw/zinc/59/56/14/1035595614.db2.gz JWJWDRYNTKNHES-GHTZIAJQSA-N 1 2 364.449 2.798 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)cn1 ZINC001140541516 1035595620 /nfs/dbraw/zinc/59/56/20/1035595620.db2.gz JWJWDRYNTKNHES-GHTZIAJQSA-N 1 2 364.449 2.798 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)cn1 ZINC001140547195 1035609418 /nfs/dbraw/zinc/60/94/18/1035609418.db2.gz KZZQECZMKFTATM-UHFFFAOYSA-N 1 2 356.433 2.732 20 30 FFEDLO C#CCN1C(=O)C2(CC[NH+](Cc3nnc(C)s3)CC2)[C@H]1c1ccccc1 ZINC001277658046 1035639221 /nfs/dbraw/zinc/63/92/21/1035639221.db2.gz ORPQLPVQWYFPNA-GOSISDBHSA-N 1 2 366.490 2.645 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])c(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1F ZINC001227873947 1035781148 /nfs/dbraw/zinc/78/11/48/1035781148.db2.gz BZORRTAJTJGSIG-MRXNPFEDSA-N 1 2 371.368 2.885 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])c(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1F ZINC001227873947 1035781162 /nfs/dbraw/zinc/78/11/62/1035781162.db2.gz BZORRTAJTJGSIG-MRXNPFEDSA-N 1 2 371.368 2.885 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1cccc2c1CCCC2 ZINC001232635570 1035891178 /nfs/dbraw/zinc/89/11/78/1035891178.db2.gz LMVHRSNCIBWXPX-HXUWFJFHSA-N 1 2 352.482 2.996 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1cccc2c1CCCC2 ZINC001232635570 1035891199 /nfs/dbraw/zinc/89/11/99/1035891199.db2.gz LMVHRSNCIBWXPX-HXUWFJFHSA-N 1 2 352.482 2.996 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)c1 ZINC001232676228 1035933459 /nfs/dbraw/zinc/93/34/59/1035933459.db2.gz HACCZZHQWHQHSY-TZIWHRDSSA-N 1 2 356.466 2.919 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)c1 ZINC001232676228 1035933478 /nfs/dbraw/zinc/93/34/78/1035933478.db2.gz HACCZZHQWHQHSY-TZIWHRDSSA-N 1 2 356.466 2.919 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3O)C[C@H]2C1 ZINC001232678730 1035934694 /nfs/dbraw/zinc/93/46/94/1035934694.db2.gz NUDQCCNUPACUJW-RDJZCZTQSA-N 1 2 357.454 2.953 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3O)C[C@H]2C1 ZINC001232678730 1035934705 /nfs/dbraw/zinc/93/47/05/1035934705.db2.gz NUDQCCNUPACUJW-RDJZCZTQSA-N 1 2 357.454 2.953 20 30 FFEDLO C=CC[NH+]1CCN(Cc2sc(Br)c3c2OCCO3)CC1 ZINC001232810911 1036056973 /nfs/dbraw/zinc/05/69/73/1036056973.db2.gz PUWPGMKFCJHTII-UHFFFAOYSA-N 1 2 359.289 2.585 20 30 FFEDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc(C#N)s1 ZINC001232846270 1036102457 /nfs/dbraw/zinc/10/24/57/1036102457.db2.gz DLRQFIHUXQEXGQ-QGZVFWFLSA-N 1 2 369.490 2.869 20 30 FFEDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc(C#N)s1 ZINC001232846270 1036102469 /nfs/dbraw/zinc/10/24/69/1036102469.db2.gz DLRQFIHUXQEXGQ-QGZVFWFLSA-N 1 2 369.490 2.869 20 30 FFEDLO CCCCCCCC[C@H](O)C[NH+]1CC2(C1)CN(CCCC)C(=O)CO2 ZINC001277733942 1036152241 /nfs/dbraw/zinc/15/22/41/1036152241.db2.gz HLFBRJGBZDDZRY-SFHVURJKSA-N 1 2 354.535 2.811 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(C(F)(F)F)n1 ZINC001277318782 1036236956 /nfs/dbraw/zinc/23/69/56/1036236956.db2.gz XYZGZKVWQWPTIM-QGZVFWFLSA-N 1 2 351.372 2.691 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(C(F)(F)F)n1 ZINC001277318782 1036236970 /nfs/dbraw/zinc/23/69/70/1036236970.db2.gz XYZGZKVWQWPTIM-QGZVFWFLSA-N 1 2 351.372 2.691 20 30 FFEDLO CN(C)c1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(F)c1C#N ZINC001233098315 1036344395 /nfs/dbraw/zinc/34/43/95/1036344395.db2.gz IUWWUULRSADPLK-AWEZNQCLSA-N 1 2 362.449 2.862 20 30 FFEDLO CN(C)c1ccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(F)c1C#N ZINC001233098315 1036344410 /nfs/dbraw/zinc/34/44/10/1036344410.db2.gz IUWWUULRSADPLK-AWEZNQCLSA-N 1 2 362.449 2.862 20 30 FFEDLO CN(C)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c(F)c1C#N ZINC001233101293 1036346219 /nfs/dbraw/zinc/34/62/19/1036346219.db2.gz VNLDUZIRNRVDBC-UHFFFAOYSA-N 1 2 363.440 2.957 20 30 FFEDLO CN(C)c1ccc(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)c(F)c1C#N ZINC001233100909 1036346776 /nfs/dbraw/zinc/34/67/76/1036346776.db2.gz NQFLPZDPHCMGIA-UHFFFAOYSA-N 1 2 358.461 2.598 20 30 FFEDLO CN(C)c1ccc(C[N@H+]2CCCN(C(=O)C3CCC3)CC2)c(F)c1C#N ZINC001233100909 1036346790 /nfs/dbraw/zinc/34/67/90/1036346790.db2.gz NQFLPZDPHCMGIA-UHFFFAOYSA-N 1 2 358.461 2.598 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233103454 1036353287 /nfs/dbraw/zinc/35/32/87/1036353287.db2.gz HCMTYQHIBDRKNF-OAHLLOKOSA-N 1 2 360.433 2.640 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233103454 1036353292 /nfs/dbraw/zinc/35/32/92/1036353292.db2.gz HCMTYQHIBDRKNF-OAHLLOKOSA-N 1 2 360.433 2.640 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2n[nH]c(=O)c3c2CCCC3)C1 ZINC001229222497 1036560287 /nfs/dbraw/zinc/56/02/87/1036560287.db2.gz CJPAAHSGDAETKS-INIZCTEOSA-N 1 2 350.422 2.586 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2n[nH]c(=O)c3c2CCCC3)C1 ZINC001229222497 1036560299 /nfs/dbraw/zinc/56/02/99/1036560299.db2.gz CJPAAHSGDAETKS-INIZCTEOSA-N 1 2 350.422 2.586 20 30 FFEDLO C#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000836537865 1036623610 /nfs/dbraw/zinc/62/36/10/1036623610.db2.gz CFQRHVALOYRZGH-UHFFFAOYSA-N 1 2 358.445 2.567 20 30 FFEDLO C[N@@H+]1CCC[C@H](Oc2ccc(O)c3c2C(=O)C(Cl)=C(Cl)C3=O)C1 ZINC001229379125 1036639997 /nfs/dbraw/zinc/63/99/97/1036639997.db2.gz RCABCCYCNUKDCA-QMMMGPOBSA-N 1 2 356.205 2.933 20 30 FFEDLO C[N@H+]1CCC[C@H](Oc2ccc(O)c3c2C(=O)C(Cl)=C(Cl)C3=O)C1 ZINC001229379125 1036640003 /nfs/dbraw/zinc/64/00/03/1036640003.db2.gz RCABCCYCNUKDCA-QMMMGPOBSA-N 1 2 356.205 2.933 20 30 FFEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001277388134 1036680685 /nfs/dbraw/zinc/68/06/85/1036680685.db2.gz SLUDHJNBIMUJQV-AWEZNQCLSA-N 1 2 350.821 2.536 20 30 FFEDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C2)c1 ZINC001206949569 1036969241 /nfs/dbraw/zinc/96/92/41/1036969241.db2.gz ILUNGXOJNZHPCY-ZIFCJYIRSA-N 1 2 369.509 2.808 20 30 FFEDLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C2)c1 ZINC001206949569 1036969260 /nfs/dbraw/zinc/96/92/60/1036969260.db2.gz ILUNGXOJNZHPCY-ZIFCJYIRSA-N 1 2 369.509 2.808 20 30 FFEDLO Cc1ccccc1-c1cnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC3CC3)C2)o1 ZINC001206952924 1036976692 /nfs/dbraw/zinc/97/66/92/1036976692.db2.gz KNRISTSDWUCDNZ-VQIMIIECSA-N 1 2 363.461 3.000 20 30 FFEDLO Cc1ccccc1-c1cnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC3CC3)C2)o1 ZINC001206952924 1036976709 /nfs/dbraw/zinc/97/67/09/1036976709.db2.gz KNRISTSDWUCDNZ-VQIMIIECSA-N 1 2 363.461 3.000 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCC(F)(F)F)c1 ZINC001277850005 1037007777 /nfs/dbraw/zinc/00/77/77/1037007777.db2.gz LOHHJFLWJBGGPY-HUUCEWRRSA-N 1 2 367.371 2.782 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCC(F)(F)F)c1 ZINC001277850005 1037007791 /nfs/dbraw/zinc/00/77/91/1037007791.db2.gz LOHHJFLWJBGGPY-HUUCEWRRSA-N 1 2 367.371 2.782 20 30 FFEDLO CC(C)=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(C#N)ccc1O)CC2 ZINC001277850648 1037009368 /nfs/dbraw/zinc/00/93/68/1037009368.db2.gz WZSMRFYOMBVHRP-GOSISDBHSA-N 1 2 353.466 2.948 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Br)[nH]1 ZINC001277850708 1037010155 /nfs/dbraw/zinc/01/01/55/1037010155.db2.gz YSDNDHRQMSGGPC-INIZCTEOSA-N 1 2 352.276 2.920 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Br)[nH]1 ZINC001277850708 1037010172 /nfs/dbraw/zinc/01/01/72/1037010172.db2.gz YSDNDHRQMSGGPC-INIZCTEOSA-N 1 2 352.276 2.920 20 30 FFEDLO C[N@@H+]1CCC[C@H](Oc2cc(F)c(C#N)cc2I)C1 ZINC001234389818 1037013609 /nfs/dbraw/zinc/01/36/09/1037013609.db2.gz XQKBKIVZRMXIQX-JTQLQIEISA-N 1 2 360.170 2.775 20 30 FFEDLO C[N@H+]1CCC[C@H](Oc2cc(F)c(C#N)cc2I)C1 ZINC001234389818 1037013629 /nfs/dbraw/zinc/01/36/29/1037013629.db2.gz XQKBKIVZRMXIQX-JTQLQIEISA-N 1 2 360.170 2.775 20 30 FFEDLO CCCCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(C#N)c1F)C2 ZINC001276505993 1037122964 /nfs/dbraw/zinc/12/29/64/1037122964.db2.gz INRICIMWNRONME-HXUWFJFHSA-N 1 2 359.445 2.548 20 30 FFEDLO CCCCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cccc(C#N)c1F)C2 ZINC001276505993 1037122970 /nfs/dbraw/zinc/12/29/70/1037122970.db2.gz INRICIMWNRONME-HXUWFJFHSA-N 1 2 359.445 2.548 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2c1nc(NCC2CC2)c(C)c[nH+]1 ZINC001277922811 1037363333 /nfs/dbraw/zinc/36/33/33/1037363333.db2.gz ZPFCFYLWZULNOZ-IAGOWNOFSA-N 1 2 355.486 2.753 20 30 FFEDLO N#CCc1ccccc1C[N@@H+]1CCc2onc(C(=O)Nc3cccnc3)c2C1 ZINC001235516268 1037601539 /nfs/dbraw/zinc/60/15/39/1037601539.db2.gz FXCLUBVJZZNDDL-UHFFFAOYSA-N 1 2 373.416 2.946 20 30 FFEDLO N#CCc1ccccc1C[N@H+]1CCc2onc(C(=O)Nc3cccnc3)c2C1 ZINC001235516268 1037601548 /nfs/dbraw/zinc/60/15/48/1037601548.db2.gz FXCLUBVJZZNDDL-UHFFFAOYSA-N 1 2 373.416 2.946 20 30 FFEDLO CCN(C)c1ncnc2c1CC[N@H+](Cc1c(F)cc(C#N)cc1F)CC2 ZINC001235653934 1037666120 /nfs/dbraw/zinc/66/61/20/1037666120.db2.gz LMAUSKGSZQJSEO-UHFFFAOYSA-N 1 2 357.408 2.683 20 30 FFEDLO CCN(C)c1ncnc2c1CC[N@@H+](Cc1c(F)cc(C#N)cc1F)CC2 ZINC001235653934 1037666128 /nfs/dbraw/zinc/66/61/28/1037666128.db2.gz LMAUSKGSZQJSEO-UHFFFAOYSA-N 1 2 357.408 2.683 20 30 FFEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(C(=O)OCC)cn1)CCO2 ZINC001235869236 1037808556 /nfs/dbraw/zinc/80/85/56/1037808556.db2.gz PVMLKTFNRGURHS-GHTZIAJQSA-N 1 2 374.481 2.832 20 30 FFEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(C(=O)OCC)cn1)CCO2 ZINC001235869236 1037808565 /nfs/dbraw/zinc/80/85/65/1037808565.db2.gz PVMLKTFNRGURHS-GHTZIAJQSA-N 1 2 374.481 2.832 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cc(F)cnc1OC)CCO2 ZINC001231744357 1037870027 /nfs/dbraw/zinc/87/00/27/1037870027.db2.gz VGABGUZDSQDYET-VQIMIIECSA-N 1 2 350.434 2.803 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cc(F)cnc1OC)CCO2 ZINC001231744357 1037870042 /nfs/dbraw/zinc/87/00/42/1037870042.db2.gz VGABGUZDSQDYET-VQIMIIECSA-N 1 2 350.434 2.803 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccnc1C(F)(F)F ZINC001276558287 1038075581 /nfs/dbraw/zinc/07/55/81/1038075581.db2.gz RNNVYNQBUWOJKP-QGZVFWFLSA-N 1 2 351.372 2.691 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccnc1C(F)(F)F ZINC001276558287 1038075604 /nfs/dbraw/zinc/07/56/04/1038075604.db2.gz RNNVYNQBUWOJKP-QGZVFWFLSA-N 1 2 351.372 2.691 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cn(C)nc3C(F)(F)F)C2)CC1 ZINC001232086250 1038163116 /nfs/dbraw/zinc/16/31/16/1038163116.db2.gz OZLOIKUCPWBFJR-UHFFFAOYSA-N 1 2 372.391 2.659 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)N3CCC(=O)CC3)CC2)cc1Cl ZINC001232115225 1038179740 /nfs/dbraw/zinc/17/97/40/1038179740.db2.gz ITVDVXSNBSMGDV-UHFFFAOYSA-N 1 2 359.857 2.615 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccoc3)no2)C[C@H]1C ZINC001208389128 1038276644 /nfs/dbraw/zinc/27/66/44/1038276644.db2.gz YXRVQHQFFSLGQS-IIAWOOMASA-N 1 2 358.442 2.868 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccoc3)no2)C[C@H]1C ZINC001208389128 1038276652 /nfs/dbraw/zinc/27/66/52/1038276652.db2.gz YXRVQHQFFSLGQS-IIAWOOMASA-N 1 2 358.442 2.868 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236828040 1038293762 /nfs/dbraw/zinc/29/37/62/1038293762.db2.gz DDOIXFJPBDWHJH-LJQANCHMSA-N 1 2 364.449 2.976 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1cc2ccccc2cc1O ZINC001236828040 1038293767 /nfs/dbraw/zinc/29/37/67/1038293767.db2.gz DDOIXFJPBDWHJH-LJQANCHMSA-N 1 2 364.449 2.976 20 30 FFEDLO C=CCN(CC[N@@H+]1CCC[C@H]2[C@H]1CN2C(=O)OC(C)(C)C)C(=O)OCC ZINC001209019383 1038635914 /nfs/dbraw/zinc/63/59/14/1038635914.db2.gz MUASBSLXPGNHCX-JKSUJKDBSA-N 1 2 367.490 2.715 20 30 FFEDLO C=CCN(CC[N@H+]1CCC[C@H]2[C@H]1CN2C(=O)OC(C)(C)C)C(=O)OCC ZINC001209019383 1038635919 /nfs/dbraw/zinc/63/59/19/1038635919.db2.gz MUASBSLXPGNHCX-JKSUJKDBSA-N 1 2 367.490 2.715 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cc(C#N)ccc4Cl)C3)C2)cc1C#N ZINC001278611692 1038785248 /nfs/dbraw/zinc/78/52/48/1038785248.db2.gz JRNGSZQYAVSRRE-UHFFFAOYSA-N 1 2 365.868 2.740 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(F)(F)C(F)F)C(C)(C)C ZINC001279014765 1038798536 /nfs/dbraw/zinc/79/85/36/1038798536.db2.gz BMGOWKRLSYLEIK-AVGNSLFASA-N 1 2 368.415 2.989 20 30 FFEDLO C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4ccc(C#N)s4)nc3c2)CC1 ZINC001251217722 1039017044 /nfs/dbraw/zinc/01/70/44/1039017044.db2.gz BAUOHJIEALHYEE-UHFFFAOYSA-N 1 2 351.435 2.551 20 30 FFEDLO C=C(C)CN1CC2(CCC1=O)CC[NH+](CC(=O)Oc1ccccc1)CC2 ZINC001276662168 1039113742 /nfs/dbraw/zinc/11/37/42/1039113742.db2.gz WPBNATRVZDNPBK-UHFFFAOYSA-N 1 2 356.466 2.873 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1Cc1ccc(Br)cc1OC(F)(F)F ZINC001210123157 1039392585 /nfs/dbraw/zinc/39/25/85/1039392585.db2.gz ZKOSFPZVVIKZGT-NSHDSACASA-N 1 2 364.165 2.645 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC001210120679 1039393309 /nfs/dbraw/zinc/39/33/09/1039393309.db2.gz HCHOWPRDLQXOIB-SNVBAGLBSA-N 1 2 364.165 2.645 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)cc1 ZINC001210994189 1039888733 /nfs/dbraw/zinc/88/87/33/1039888733.db2.gz FTMVGXFDTAAQQR-RTBURBONSA-N 1 2 358.438 2.531 20 30 FFEDLO C#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)cc1 ZINC001210994189 1039888755 /nfs/dbraw/zinc/88/87/55/1039888755.db2.gz FTMVGXFDTAAQQR-RTBURBONSA-N 1 2 358.438 2.531 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C)c1ccccc1 ZINC001211224497 1040009512 /nfs/dbraw/zinc/00/95/12/1040009512.db2.gz QFIRECKTQCYWLX-MBOZVWFJSA-N 1 2 352.482 2.717 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C)c1ccccc1 ZINC001211224497 1040009520 /nfs/dbraw/zinc/00/95/20/1040009520.db2.gz QFIRECKTQCYWLX-MBOZVWFJSA-N 1 2 352.482 2.717 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)n(C)n2)C[C@H]1C)c1ccccc1 ZINC001211235239 1040022071 /nfs/dbraw/zinc/02/20/71/1040022071.db2.gz JUXOXXDTYOFBTA-UIAACRFSSA-N 1 2 352.482 2.635 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(C)n(C)n2)C[C@H]1C)c1ccccc1 ZINC001211235239 1040022084 /nfs/dbraw/zinc/02/20/84/1040022084.db2.gz JUXOXXDTYOFBTA-UIAACRFSSA-N 1 2 352.482 2.635 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccn(CC)n3)C[C@H]2C)CCCCC1 ZINC001211410871 1040167516 /nfs/dbraw/zinc/16/75/16/1040167516.db2.gz MPCMDNPMJGYJQA-IEBWSBKVSA-N 1 2 356.514 2.813 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccn(CC)n3)C[C@H]2C)CCCCC1 ZINC001211410871 1040167523 /nfs/dbraw/zinc/16/75/23/1040167523.db2.gz MPCMDNPMJGYJQA-IEBWSBKVSA-N 1 2 356.514 2.813 20 30 FFEDLO C#CC[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2nonc2C)C[C@H]1C)c1ccccc1 ZINC001211473102 1040235074 /nfs/dbraw/zinc/23/50/74/1040235074.db2.gz FDIKUBQFIAZQND-AYOQOUSVSA-N 1 2 366.465 2.512 20 30 FFEDLO C#CC[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2nonc2C)C[C@H]1C)c1ccccc1 ZINC001211473102 1040235085 /nfs/dbraw/zinc/23/50/85/1040235085.db2.gz FDIKUBQFIAZQND-AYOQOUSVSA-N 1 2 366.465 2.512 20 30 FFEDLO C#CC[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2nonc2C)C[C@H]1C)c1ccccc1 ZINC001211473101 1040235126 /nfs/dbraw/zinc/23/51/26/1040235126.db2.gz FDIKUBQFIAZQND-ATZDWAIDSA-N 1 2 366.465 2.512 20 30 FFEDLO C#CC[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2nonc2C)C[C@H]1C)c1ccccc1 ZINC001211473101 1040235139 /nfs/dbraw/zinc/23/51/39/1040235139.db2.gz FDIKUBQFIAZQND-ATZDWAIDSA-N 1 2 366.465 2.512 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(C)c(Cl)cn1)C2 ZINC001276699968 1040344739 /nfs/dbraw/zinc/34/47/39/1040344739.db2.gz WUGKXPCIIWHKMU-IBGZPJMESA-N 1 2 363.889 2.670 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(C)c(Cl)cn1)C2 ZINC001276699968 1040344753 /nfs/dbraw/zinc/34/47/53/1040344753.db2.gz WUGKXPCIIWHKMU-IBGZPJMESA-N 1 2 363.889 2.670 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2oc(CCC)nc2C)C[C@H]1OC ZINC001213258126 1040383366 /nfs/dbraw/zinc/38/33/66/1040383366.db2.gz FFTPCVVXNXAQBP-NVXWUHKLSA-N 1 2 363.502 2.853 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2oc(CCC)nc2C)C[C@H]1OC ZINC001213258126 1040383373 /nfs/dbraw/zinc/38/33/73/1040383373.db2.gz FFTPCVVXNXAQBP-NVXWUHKLSA-N 1 2 363.502 2.853 20 30 FFEDLO C=C/C(C)=C\CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213285476 1040408859 /nfs/dbraw/zinc/40/88/59/1040408859.db2.gz SWKYKJRUYDWNQE-QKLKTMHJSA-N 1 2 357.429 2.535 20 30 FFEDLO C=C/C(C)=C\CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213285476 1040408865 /nfs/dbraw/zinc/40/88/65/1040408865.db2.gz SWKYKJRUYDWNQE-QKLKTMHJSA-N 1 2 357.429 2.535 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@H]2CN(Cc3ccc(F)cc3C#N)C[C@@H](C1)O2 ZINC001278749026 1040452531 /nfs/dbraw/zinc/45/25/31/1040452531.db2.gz ADDMNSHUCGHZKQ-HDICACEKSA-N 1 2 372.469 2.548 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CN(Cc3ccc(F)cc3C#N)C[C@@H](C1)O2 ZINC001278749026 1040452536 /nfs/dbraw/zinc/45/25/36/1040452536.db2.gz ADDMNSHUCGHZKQ-HDICACEKSA-N 1 2 372.469 2.548 20 30 FFEDLO C[C@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccc(CC#N)cc2)CC1 ZINC001213540422 1040659829 /nfs/dbraw/zinc/65/98/29/1040659829.db2.gz ZEOTYKVQWMGFKZ-QGZVFWFLSA-N 1 2 369.490 2.820 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H](C)CC(C)C ZINC001213633402 1040740399 /nfs/dbraw/zinc/74/03/99/1040740399.db2.gz ABUMPGKGJPRQRF-NIKGAXFTSA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H](C)CC(C)C ZINC001213633402 1040740409 /nfs/dbraw/zinc/74/04/09/1040740409.db2.gz ABUMPGKGJPRQRF-NIKGAXFTSA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H](C)CC(C)C ZINC001213633806 1040741873 /nfs/dbraw/zinc/74/18/73/1040741873.db2.gz KSEHGVGFOHFATC-GDIGMMSISA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H](C)CC(C)C ZINC001213633806 1040741891 /nfs/dbraw/zinc/74/18/91/1040741891.db2.gz KSEHGVGFOHFATC-GDIGMMSISA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H](C)CC(C)C ZINC001213633809 1040741941 /nfs/dbraw/zinc/74/19/41/1040741941.db2.gz KSEHGVGFOHFATC-NIKGAXFTSA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H](C)CC(C)C ZINC001213633809 1040741962 /nfs/dbraw/zinc/74/19/62/1040741962.db2.gz KSEHGVGFOHFATC-NIKGAXFTSA-N 1 2 361.461 2.695 20 30 FFEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ncc(C(=O)OC)s1)C2 ZINC001249463536 1040780725 /nfs/dbraw/zinc/78/07/25/1040780725.db2.gz MXLSGYNIXRPABS-CRAIPNDOSA-N 1 2 366.483 2.503 20 30 FFEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ncc(C(=O)OC)s1)C2 ZINC001249463536 1040780740 /nfs/dbraw/zinc/78/07/40/1040780740.db2.gz MXLSGYNIXRPABS-CRAIPNDOSA-N 1 2 366.483 2.503 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1OC ZINC001213771077 1040889853 /nfs/dbraw/zinc/88/98/53/1040889853.db2.gz RZSCTHMHGCSLIG-RTBURBONSA-N 1 2 364.534 2.876 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1OC ZINC001213771077 1040889863 /nfs/dbraw/zinc/88/98/63/1040889863.db2.gz RZSCTHMHGCSLIG-RTBURBONSA-N 1 2 364.534 2.876 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c1F ZINC001249678609 1040933870 /nfs/dbraw/zinc/93/38/70/1040933870.db2.gz HUIWPDYXQNZRJP-CVEARBPZSA-N 1 2 356.426 2.643 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c1F ZINC001249678609 1040933892 /nfs/dbraw/zinc/93/38/92/1040933892.db2.gz HUIWPDYXQNZRJP-CVEARBPZSA-N 1 2 356.426 2.643 20 30 FFEDLO C#CC[C@@H](CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1OC)c1ccccc1 ZINC001213994888 1041144431 /nfs/dbraw/zinc/14/44/31/1041144431.db2.gz GNWKIYDEXHGNRU-ASJIFVHMSA-N 1 2 360.885 2.752 20 30 FFEDLO C#CC[C@@H](CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1OC)c1ccccc1 ZINC001213994888 1041144436 /nfs/dbraw/zinc/14/44/36/1041144436.db2.gz GNWKIYDEXHGNRU-ASJIFVHMSA-N 1 2 360.885 2.752 20 30 FFEDLO N#CCOc1cccc(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC001261908362 1041471316 /nfs/dbraw/zinc/47/13/16/1041471316.db2.gz KZECWLNGQZVSCF-CQSZACIVSA-N 1 2 352.316 2.595 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001215324470 1041738131 /nfs/dbraw/zinc/73/81/31/1041738131.db2.gz AJLDXYMWPRBQLE-NVXWUHKLSA-N 1 2 358.486 2.542 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001262951976 1041984556 /nfs/dbraw/zinc/98/45/56/1041984556.db2.gz GDXBLOVXQRZACW-UONOGXRCSA-N 1 2 373.423 2.606 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(F)(F)CC1 ZINC001262978082 1042004163 /nfs/dbraw/zinc/00/41/63/1042004163.db2.gz WNHURTDLLLBLQM-UHFFFAOYSA-N 1 2 364.444 2.793 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H]2CSC[C@H]2C1 ZINC001263024732 1042042846 /nfs/dbraw/zinc/04/28/46/1042042846.db2.gz HLTGJXJHWDYKFK-IAGOWNOFSA-N 1 2 374.558 2.580 20 30 FFEDLO N#Cc1ccccc1OCC[N@H+]1CCC[C@]12CCN(CC(F)(F)F)C2=O ZINC001276743157 1042060203 /nfs/dbraw/zinc/06/02/03/1042060203.db2.gz QAOLHKIFBZOJCK-QGZVFWFLSA-N 1 2 367.371 2.566 20 30 FFEDLO N#Cc1ccccc1OCC[N@@H+]1CCC[C@]12CCN(CC(F)(F)F)C2=O ZINC001276743157 1042060209 /nfs/dbraw/zinc/06/02/09/1042060209.db2.gz QAOLHKIFBZOJCK-QGZVFWFLSA-N 1 2 367.371 2.566 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H](OCCC)CC1 ZINC001263288175 1042223083 /nfs/dbraw/zinc/22/30/83/1042223083.db2.gz JCKSIHIOYZDGGK-QGZVFWFLSA-N 1 2 372.517 2.964 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC(=C)C ZINC001263302417 1042230078 /nfs/dbraw/zinc/23/00/78/1042230078.db2.gz QRDGBMSYGIMNKB-LJQANCHMSA-N 1 2 366.513 2.939 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc([C@H]3CCC[N@@H+]3C)n2CCCOCC)C1 ZINC001263368851 1042266203 /nfs/dbraw/zinc/26/62/03/1042266203.db2.gz FRUAKCKCSLUZTH-ZWKOTPCHSA-N 1 2 359.518 2.711 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc([C@H]3CCC[N@H+]3C)n2CCCOCC)C1 ZINC001263368851 1042266212 /nfs/dbraw/zinc/26/62/12/1042266212.db2.gz FRUAKCKCSLUZTH-ZWKOTPCHSA-N 1 2 359.518 2.711 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2c[nH]c3cccc(C#N)c32)CC1 ZINC001263732436 1042455511 /nfs/dbraw/zinc/45/55/11/1042455511.db2.gz GJCBXWVUHRBJBR-HNNXBMFYSA-N 1 2 359.433 2.954 20 30 FFEDLO O=C(NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1)C(F)C(F)(F)F ZINC001263901947 1042521262 /nfs/dbraw/zinc/52/12/62/1042521262.db2.gz OGCGUXNVUIFPSS-XHSDSOJGSA-N 1 2 356.363 2.813 20 30 FFEDLO O=C(NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1)[C@H](F)C(F)(F)F ZINC001263901947 1042521267 /nfs/dbraw/zinc/52/12/67/1042521267.db2.gz OGCGUXNVUIFPSS-XHSDSOJGSA-N 1 2 356.363 2.813 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1CC[N@H+](Cc2csc(C3CC3)n2)[C@@H]1CC ZINC001264051486 1042598682 /nfs/dbraw/zinc/59/86/82/1042598682.db2.gz DYCIJDSAQGRBPD-DLBZAZTESA-N 1 2 361.511 2.530 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1CC[N@@H+](Cc2csc(C3CC3)n2)[C@@H]1CC ZINC001264051486 1042598686 /nfs/dbraw/zinc/59/86/86/1042598686.db2.gz DYCIJDSAQGRBPD-DLBZAZTESA-N 1 2 361.511 2.530 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C(F)C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001264053435 1042600545 /nfs/dbraw/zinc/60/05/45/1042600545.db2.gz WXTRBUSLZJJLPT-ZNMIVQPWSA-N 1 2 357.351 2.928 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C(F)C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001264053435 1042600546 /nfs/dbraw/zinc/60/05/46/1042600546.db2.gz WXTRBUSLZJJLPT-ZNMIVQPWSA-N 1 2 357.351 2.928 20 30 FFEDLO C[C@@H](CC(=O)N[C@H]1CCN(Cc2cc(F)ccc2C#N)[C@@H]1C)n1cc[nH+]c1 ZINC001264162350 1042645498 /nfs/dbraw/zinc/64/54/98/1042645498.db2.gz QMTHZHAVVWGKCK-KHYOSLBOSA-N 1 2 369.444 2.624 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cn(C)nn2)[C@@H]1CC)c1ccccc1 ZINC001264626172 1042757913 /nfs/dbraw/zinc/75/79/13/1042757913.db2.gz VFYSECXIUYCVPI-HSALFYBXSA-N 1 2 367.497 2.644 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cn(C)nn2)[C@@H]1CC)c1ccccc1 ZINC001264626172 1042757917 /nfs/dbraw/zinc/75/79/17/1042757917.db2.gz VFYSECXIUYCVPI-HSALFYBXSA-N 1 2 367.497 2.644 20 30 FFEDLO COc1cc(CN2CC3(CC[N@@H+]3Cc3cc(C#N)n(C)c3)C2)ccc1F ZINC001279348788 1043018718 /nfs/dbraw/zinc/01/87/18/1043018718.db2.gz MBQWWVHWQZYGIR-UHFFFAOYSA-N 1 2 354.429 2.505 20 30 FFEDLO COc1cc(CN2CC3(CC[N@H+]3Cc3cc(C#N)n(C)c3)C2)ccc1F ZINC001279348788 1043018721 /nfs/dbraw/zinc/01/87/21/1043018721.db2.gz MBQWWVHWQZYGIR-UHFFFAOYSA-N 1 2 354.429 2.505 20 30 FFEDLO Cn1cnc2c1[C@H](COCC1CCCC1)C[N@H+](Cc1ccnc(C#N)c1)C2 ZINC001237461403 1043179283 /nfs/dbraw/zinc/17/92/83/1043179283.db2.gz BPAPZQQKOLRJJK-SFHVURJKSA-N 1 2 365.481 2.993 20 30 FFEDLO Cn1cnc2c1[C@H](COCC1CCCC1)C[N@@H+](Cc1ccnc(C#N)c1)C2 ZINC001237461403 1043179286 /nfs/dbraw/zinc/17/92/86/1043179286.db2.gz BPAPZQQKOLRJJK-SFHVURJKSA-N 1 2 365.481 2.993 20 30 FFEDLO CS(=O)(=O)c1ccc(C2CC[NH+](Cc3ccnc(C#N)c3)CC2)cc1 ZINC001237461721 1043180562 /nfs/dbraw/zinc/18/05/62/1043180562.db2.gz CXHDCOBEYGOOAR-UHFFFAOYSA-N 1 2 355.463 2.736 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)ccn1 ZINC001237467289 1043184981 /nfs/dbraw/zinc/18/49/81/1043184981.db2.gz ZMPSDXZLROMRHO-HMXCVIKNSA-N 1 2 364.449 2.544 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)ccn1 ZINC001237467289 1043184992 /nfs/dbraw/zinc/18/49/92/1043184992.db2.gz ZMPSDXZLROMRHO-HMXCVIKNSA-N 1 2 364.449 2.544 20 30 FFEDLO Cc1cc(C)c(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(C)[nH+]1 ZINC001310835616 1043751286 /nfs/dbraw/zinc/75/12/86/1043751286.db2.gz XYHLYGRRBMFQAB-LSDHHAIUSA-N 1 2 373.457 2.887 20 30 FFEDLO N#CCC1CN(C(=O)[C@H]2[C@H]3CC[C@@H]2C[N@H+](Cc2csc(Cl)n2)C3)C1 ZINC001279855233 1043780614 /nfs/dbraw/zinc/78/06/14/1043780614.db2.gz YJBVRDIWSFPPMG-AGGWBTHJSA-N 1 2 364.902 2.627 20 30 FFEDLO N#CCC1CN(C(=O)[C@H]2[C@H]3CC[C@@H]2C[N@@H+](Cc2csc(Cl)n2)C3)C1 ZINC001279855233 1043780625 /nfs/dbraw/zinc/78/06/25/1043780625.db2.gz YJBVRDIWSFPPMG-AGGWBTHJSA-N 1 2 364.902 2.627 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)[C@@H]1CC13C[NH+](Cc1cn[nH]c1)C3)CCCC2 ZINC001279918632 1043922050 /nfs/dbraw/zinc/92/20/50/1043922050.db2.gz UXDGBCJQYSNTPG-HNNXBMFYSA-N 1 2 367.478 2.682 20 30 FFEDLO CCN(CC)c1ncc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)NC2(C#N)CCC2)s1 ZINC001280159172 1044325173 /nfs/dbraw/zinc/32/51/73/1044325173.db2.gz DLZHYARBCAOFIO-KUHUBIRLSA-N 1 2 373.526 2.516 20 30 FFEDLO CCN(CC)c1ncc(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)NC2(C#N)CCC2)s1 ZINC001280159172 1044325188 /nfs/dbraw/zinc/32/51/88/1044325188.db2.gz DLZHYARBCAOFIO-KUHUBIRLSA-N 1 2 373.526 2.516 20 30 FFEDLO C[C@H]1c2nc(C(=O)NC3(C#N)CCC3)cn2CC[N@H+]1C[C@H]1CC=CCC1 ZINC001280236640 1044445157 /nfs/dbraw/zinc/44/51/57/1044445157.db2.gz KTPROABLPVUQEU-HOTGVXAUSA-N 1 2 353.470 2.792 20 30 FFEDLO C[C@H]1c2nc(C(=O)NC3(C#N)CCC3)cn2CC[N@@H+]1C[C@H]1CC=CCC1 ZINC001280236640 1044445166 /nfs/dbraw/zinc/44/51/66/1044445166.db2.gz KTPROABLPVUQEU-HOTGVXAUSA-N 1 2 353.470 2.792 20 30 FFEDLO N#Cc1nnc2ccccc2c1N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001318667027 1044798342 /nfs/dbraw/zinc/79/83/42/1044798342.db2.gz ZMFBVNCZGQTHKP-UHFFFAOYSA-N 1 2 374.404 2.732 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@H](C)CC)CC[C@@H]1c1ccccc1 ZINC001316719904 1044829872 /nfs/dbraw/zinc/82/98/72/1044829872.db2.gz ROYNLBFWRHNCOR-MISYRCLQSA-N 1 2 371.525 2.842 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@H](C)CC)CC[C@@H]1c1ccccc1 ZINC001316719904 1044829888 /nfs/dbraw/zinc/82/98/88/1044829888.db2.gz ROYNLBFWRHNCOR-MISYRCLQSA-N 1 2 371.525 2.842 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)/C=C(\C)C3CC3)[C@H]2C)c1 ZINC001316776493 1044931783 /nfs/dbraw/zinc/93/17/83/1044931783.db2.gz BXNMSBMINRJOAV-PRKGBLTMSA-N 1 2 365.477 2.542 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)/C=C(\C)C3CC3)[C@H]2C)c1 ZINC001316776493 1044931798 /nfs/dbraw/zinc/93/17/98/1044931798.db2.gz BXNMSBMINRJOAV-PRKGBLTMSA-N 1 2 365.477 2.542 20 30 FFEDLO Cc1cccc(-c2noc(C[N@H+]3CC[C@H](NC(=O)C#CC4CC4)[C@H]3C)n2)c1 ZINC001316782232 1044948593 /nfs/dbraw/zinc/94/85/93/1044948593.db2.gz FGRSSGCHTPCAAI-QAPCUYQASA-N 1 2 364.449 2.537 20 30 FFEDLO Cc1cccc(-c2noc(C[N@@H+]3CC[C@H](NC(=O)C#CC4CC4)[C@H]3C)n2)c1 ZINC001316782232 1044948606 /nfs/dbraw/zinc/94/86/06/1044948606.db2.gz FGRSSGCHTPCAAI-QAPCUYQASA-N 1 2 364.449 2.537 20 30 FFEDLO N#CCc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC001318952088 1044953768 /nfs/dbraw/zinc/95/37/68/1044953768.db2.gz XFHJBUNRHIHCKI-SFHVURJKSA-N 1 2 373.478 2.851 20 30 FFEDLO Cc1[nH+]ccn1CCCC(=O)N[C@H]1CCN(Cc2ccc(C#N)s2)[C@@H]1C ZINC001316796042 1045005990 /nfs/dbraw/zinc/00/59/90/1045005990.db2.gz VVIVVFJNHKUFQJ-KDOFPFPSSA-N 1 2 371.510 2.684 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(F)cc2)CC1 ZINC001539430892 1070637155 /nfs/dbraw/zinc/63/71/55/1070637155.db2.gz NKSZXDJASQEEBJ-MRXNPFEDSA-N 1 2 355.461 2.734 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC001282210772 1045423191 /nfs/dbraw/zinc/42/31/91/1045423191.db2.gz HTLCUVBHUPJHKU-SJORKVTESA-N 1 2 360.502 2.619 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C1 ZINC001323728289 1045699140 /nfs/dbraw/zinc/69/91/40/1045699140.db2.gz KGVAXGCONKOWJT-DOTOQJQBSA-N 1 2 369.421 2.827 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C1 ZINC001323728289 1045699147 /nfs/dbraw/zinc/69/91/47/1045699147.db2.gz KGVAXGCONKOWJT-DOTOQJQBSA-N 1 2 369.421 2.827 20 30 FFEDLO Cn1cc(CO[NH+]=C(N)c2ccc(Br)cc2)c(C(F)F)n1 ZINC001324047875 1045841540 /nfs/dbraw/zinc/84/15/40/1045841540.db2.gz XPIWZJSLBNDJPL-UHFFFAOYSA-N 1 2 359.174 2.957 20 30 FFEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1N(C(=O)CCCn1cc[nH+]c1)CC2 ZINC001282576458 1045910875 /nfs/dbraw/zinc/91/08/75/1045910875.db2.gz YQZDEBNWJVGWCF-YLJYHZDGSA-N 1 2 358.486 2.517 20 30 FFEDLO C=CCC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C3)CCCCC1 ZINC001282693226 1046086509 /nfs/dbraw/zinc/08/65/09/1046086509.db2.gz KSKVRRYUAWSWDJ-SQNIBIBYSA-N 1 2 370.497 2.727 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3-c3cn[nH]c3)CC2)cc1 ZINC001540294147 1070824975 /nfs/dbraw/zinc/82/49/75/1070824975.db2.gz OTLQGAJKKPJFCU-UHFFFAOYSA-N 1 2 371.444 2.906 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CCCC)CC1 ZINC001286475439 1047121067 /nfs/dbraw/zinc/12/10/67/1047121067.db2.gz AFBWPEDYVYNYII-UHFFFAOYSA-N 1 2 353.470 2.509 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2CCc2ccc(SC)cc2)CC1 ZINC001286478672 1047121127 /nfs/dbraw/zinc/12/11/27/1047121127.db2.gz JAPRDAXGWCJSJV-UHFFFAOYSA-N 1 2 369.538 2.560 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CCc2scnc2C)CC1 ZINC001286472853 1047121597 /nfs/dbraw/zinc/12/15/97/1047121597.db2.gz WANJVCDQUJUOPY-OAHLLOKOSA-N 1 2 372.542 2.554 20 30 FFEDLO C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1Cc1c[nH+]ccc1OC ZINC001286754689 1047170649 /nfs/dbraw/zinc/17/06/49/1047170649.db2.gz DCVILNFVHLYQCC-UHFFFAOYSA-N 1 2 350.426 2.904 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001289897340 1047781883 /nfs/dbraw/zinc/78/18/83/1047781883.db2.gz QMSORAJWSLTRAE-RCCFBDPRSA-N 1 2 358.486 2.571 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001289926362 1047798348 /nfs/dbraw/zinc/79/83/48/1047798348.db2.gz LLWBXQUQVZMWHJ-ARFHVFGLSA-N 1 2 358.486 2.730 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1C ZINC001290694283 1048314372 /nfs/dbraw/zinc/31/43/72/1048314372.db2.gz FYMSFRIACKJIPF-CABCVRRESA-N 1 2 354.454 2.656 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@]2(C)C1 ZINC001290808536 1048404939 /nfs/dbraw/zinc/40/49/39/1048404939.db2.gz WSVNZBUWRKUODM-LAUBAEHRSA-N 1 2 366.465 2.529 20 30 FFEDLO C[C@](O)(C[NH+]1CCC(C(=O)C(F)(F)F)CC1)C(F)(F)C(F)(F)F ZINC001334094109 1049245012 /nfs/dbraw/zinc/24/50/12/1049245012.db2.gz UHGHASBJCMJESQ-VIFPVBQESA-N 1 2 357.241 2.778 20 30 FFEDLO CC[C@H]1[C@H](C)CCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CCOC ZINC001341570833 1050198021 /nfs/dbraw/zinc/19/80/21/1050198021.db2.gz JCXSDXIZMWWUSF-AEFFLSMTSA-N 1 2 374.533 2.642 20 30 FFEDLO C=CCn1c(N(C)C[C@H](C)c2ccccc2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339853174 1050269822 /nfs/dbraw/zinc/26/98/22/1050269822.db2.gz HKMBNUXWZZIHKJ-MDKPJZGXSA-N 1 2 369.513 2.616 20 30 FFEDLO C=CCn1c(N(C)C[C@H](C)c2ccccc2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001339853174 1050269829 /nfs/dbraw/zinc/26/98/29/1050269829.db2.gz HKMBNUXWZZIHKJ-MDKPJZGXSA-N 1 2 369.513 2.616 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC(OC2CCC2)CC1 ZINC001341749920 1050367436 /nfs/dbraw/zinc/36/74/36/1050367436.db2.gz LDZAEZNXWGOUPE-UHFFFAOYSA-N 1 2 359.518 2.988 20 30 FFEDLO C#CC1CCC(c2nnc(N3CCc4cc[nH+]c(N(C)C)c4C3)n2C)CC1 ZINC001341754945 1050371541 /nfs/dbraw/zinc/37/15/41/1050371541.db2.gz IGNMKUDGEPDYFB-UHFFFAOYSA-N 1 2 364.497 2.746 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC[C@@H](C2CCCCC2)C1 ZINC001340258545 1050664693 /nfs/dbraw/zinc/66/46/93/1050664693.db2.gz MOMUZCAAXHKJQS-SQNIBIBYSA-N 1 2 359.518 2.608 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC[C@@H](C2CCCCC2)C1 ZINC001340258545 1050664701 /nfs/dbraw/zinc/66/47/01/1050664701.db2.gz MOMUZCAAXHKJQS-SQNIBIBYSA-N 1 2 359.518 2.608 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001342070836 1050667605 /nfs/dbraw/zinc/66/76/05/1050667605.db2.gz IHLODWHJKNJAOV-DAWZGUTISA-N 1 2 374.533 2.504 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001342070836 1050667612 /nfs/dbraw/zinc/66/76/12/1050667612.db2.gz IHLODWHJKNJAOV-DAWZGUTISA-N 1 2 374.533 2.504 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)c1cccc(CC)c1 ZINC001342151216 1050744627 /nfs/dbraw/zinc/74/46/27/1050744627.db2.gz ZHIPNAWKJJQPPG-UHFFFAOYSA-N 1 2 369.513 2.999 20 30 FFEDLO C#Cc1cccc(NC(=O)CNC(=O)c2c[nH+]ccc2Nc2ccccc2)c1 ZINC001542150723 1071178701 /nfs/dbraw/zinc/17/87/01/1071178701.db2.gz DIKGKCBQQGTOEW-UHFFFAOYSA-N 1 2 370.412 2.597 20 30 FFEDLO C=C(CCC(=O)OC)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001542204775 1071189316 /nfs/dbraw/zinc/18/93/16/1071189316.db2.gz GBCWPPFFXRLZIQ-LBPRGKRZSA-N 1 2 351.472 2.823 20 30 FFEDLO C=C(CCC(=O)OC)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC001542204775 1071189323 /nfs/dbraw/zinc/18/93/23/1071189323.db2.gz GBCWPPFFXRLZIQ-LBPRGKRZSA-N 1 2 351.472 2.823 20 30 FFEDLO CCCCN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@H]1CCCO1 ZINC001343072031 1051689435 /nfs/dbraw/zinc/68/94/35/1051689435.db2.gz PEKMDDYQTLHCCW-GOSISDBHSA-N 1 2 374.533 2.786 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2ccccc2C)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001343405624 1052209266 /nfs/dbraw/zinc/20/92/66/1052209266.db2.gz SSRCEMMYTMPDPI-WIYYLYMNSA-N 1 2 369.513 2.711 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2ccccc2C)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001343405624 1052209276 /nfs/dbraw/zinc/20/92/76/1052209276.db2.gz SSRCEMMYTMPDPI-WIYYLYMNSA-N 1 2 369.513 2.711 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@H](c2ccn(C)n2)C1 ZINC001343460017 1052246022 /nfs/dbraw/zinc/24/60/22/1052246022.db2.gz TUYQZWISBNJKDB-WMZOPIPTSA-N 1 2 369.517 2.738 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@H](c2ccn(C)n2)C1 ZINC001343460017 1052246028 /nfs/dbraw/zinc/24/60/28/1052246028.db2.gz TUYQZWISBNJKDB-WMZOPIPTSA-N 1 2 369.517 2.738 20 30 FFEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@@H](C)CC#N ZINC001345109632 1052264112 /nfs/dbraw/zinc/26/41/12/1052264112.db2.gz ICHZJHPZXBTSPA-INIZCTEOSA-N 1 2 357.506 2.766 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc([C@H]2CCC[N@@H+]2C)n1C[C@H]1CCCO1 ZINC001345322949 1052385318 /nfs/dbraw/zinc/38/53/18/1052385318.db2.gz WANUWFPJUMGJRW-QZTJIDSGSA-N 1 2 374.533 2.990 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc([C@H]2CCC[N@H+]2C)n1C[C@H]1CCCO1 ZINC001345322949 1052385322 /nfs/dbraw/zinc/38/53/22/1052385322.db2.gz WANUWFPJUMGJRW-QZTJIDSGSA-N 1 2 374.533 2.990 20 30 FFEDLO C=CCn1cc(C[NH2+]Cc2ccc(-c3ccccc3C(=O)OC)o2)nn1 ZINC001308827664 1052504733 /nfs/dbraw/zinc/50/47/33/1052504733.db2.gz AUHIHPVLENFJOU-UHFFFAOYSA-N 1 2 352.394 2.801 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccccc1CC#N ZINC001309196217 1052571856 /nfs/dbraw/zinc/57/18/56/1052571856.db2.gz BXRJEQTVTPDULV-QGZVFWFLSA-N 1 2 369.490 2.648 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccccc1CC#N ZINC001309196217 1052571858 /nfs/dbraw/zinc/57/18/58/1052571858.db2.gz BXRJEQTVTPDULV-QGZVFWFLSA-N 1 2 369.490 2.648 20 30 FFEDLO C=C(C)Cn1c(N2CCc3cc[nH+]c(N(C)C)c3C2)nnc1C(C)(F)F ZINC001345923490 1052671980 /nfs/dbraw/zinc/67/19/80/1052671980.db2.gz KELDLSMRKQGBCG-UHFFFAOYSA-N 1 2 362.428 2.990 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCO[C@@](C)(C(F)(F)F)C1 ZINC001346187979 1052781727 /nfs/dbraw/zinc/78/17/27/1052781727.db2.gz NFACGMKKOBLPDT-CZUORRHYSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCO[C@@](C)(C(F)(F)F)C1 ZINC001346187979 1052781729 /nfs/dbraw/zinc/78/17/29/1052781729.db2.gz NFACGMKKOBLPDT-CZUORRHYSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001347965586 1054509044 /nfs/dbraw/zinc/50/90/44/1054509044.db2.gz UJQYYHDGLBZERO-UWVAXJGDSA-N 1 2 358.486 2.688 20 30 FFEDLO C=C(C)c1cccc(NC(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC001348157995 1054708075 /nfs/dbraw/zinc/70/80/75/1054708075.db2.gz GDZYMNYWKORFMT-MRXNPFEDSA-N 1 2 366.465 2.873 20 30 FFEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)nc1 ZINC001348628396 1054828250 /nfs/dbraw/zinc/82/82/50/1054828250.db2.gz CZJHHPSMLMNKBQ-IBGZPJMESA-N 1 2 352.413 2.763 20 30 FFEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)nc1 ZINC001348628396 1054828259 /nfs/dbraw/zinc/82/82/59/1054828259.db2.gz CZJHHPSMLMNKBQ-IBGZPJMESA-N 1 2 352.413 2.763 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC001337649821 1054920277 /nfs/dbraw/zinc/92/02/77/1054920277.db2.gz MILLESJBFKSFIS-LBPRGKRZSA-N 1 2 354.834 2.573 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](CC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC001337649821 1054920289 /nfs/dbraw/zinc/92/02/89/1054920289.db2.gz MILLESJBFKSFIS-LBPRGKRZSA-N 1 2 354.834 2.573 20 30 FFEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(CCC#N)cc1 ZINC001337774760 1055008974 /nfs/dbraw/zinc/00/89/74/1055008974.db2.gz RYBOBGGEXGEIEV-KRWDZBQOSA-N 1 2 367.453 2.509 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(c2nc(Br)ccc2C#N)CC1 ZINC001337864368 1055068778 /nfs/dbraw/zinc/06/87/78/1055068778.db2.gz ASNSPJHQLUQCTH-CYBMUJFWSA-N 1 2 372.270 2.994 20 30 FFEDLO C=CCn1c([C@@H](OC)C2CC2)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001352181032 1055252352 /nfs/dbraw/zinc/25/23/52/1055252352.db2.gz NPIQDTPLDKATES-KRWDZBQOSA-N 1 2 368.485 2.585 20 30 FFEDLO C=C1CC(C)(C(=O)N(C)CC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001356725364 1055670537 /nfs/dbraw/zinc/67/05/37/1055670537.db2.gz AFXRDKHADHIYRH-IAGOWNOFSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C1CC(C)(C(=O)N(C)CC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001356725364 1055670549 /nfs/dbraw/zinc/67/05/49/1055670549.db2.gz AFXRDKHADHIYRH-IAGOWNOFSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(C)CCC(=O)NCC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001357066808 1055768094 /nfs/dbraw/zinc/76/80/94/1055768094.db2.gz JRUUMGVISNEDFF-GVDBMIGSSA-N 1 2 358.486 2.757 20 30 FFEDLO C=C(C)CCC(=O)NCC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001357066808 1055768106 /nfs/dbraw/zinc/76/81/06/1055768106.db2.gz JRUUMGVISNEDFF-GVDBMIGSSA-N 1 2 358.486 2.757 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC(C)(C#N)CC1 ZINC001338842082 1055863977 /nfs/dbraw/zinc/86/39/77/1055863977.db2.gz QKGDNEXHKVAZPA-IRXDYDNUSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC(C)(C#N)CC1 ZINC001338842082 1055863985 /nfs/dbraw/zinc/86/39/85/1055863985.db2.gz QKGDNEXHKVAZPA-IRXDYDNUSA-N 1 2 370.501 2.520 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)(C)C ZINC001338875333 1055892556 /nfs/dbraw/zinc/89/25/56/1055892556.db2.gz XVUIAYDNSDTRLB-FMKPAKJESA-N 1 2 360.502 2.763 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)(C)C ZINC001338875333 1055892564 /nfs/dbraw/zinc/89/25/64/1055892564.db2.gz XVUIAYDNSDTRLB-FMKPAKJESA-N 1 2 360.502 2.763 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@H]1c1ccccc1 ZINC001338896439 1055913868 /nfs/dbraw/zinc/91/38/68/1055913868.db2.gz WGFZUUZCGNLDBY-BZSNNMDCSA-N 1 2 353.470 2.543 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@H]1c1ccccc1 ZINC001338896439 1055913874 /nfs/dbraw/zinc/91/38/74/1055913874.db2.gz WGFZUUZCGNLDBY-BZSNNMDCSA-N 1 2 353.470 2.543 20 30 FFEDLO Cc1c[nH+]cc(C)c1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC001338993139 1055997096 /nfs/dbraw/zinc/99/70/96/1055997096.db2.gz PLJXWINBPQTAMS-UHFFFAOYSA-N 1 2 350.422 2.786 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc([C@]2(C)C[C@@H](O)C[N@@H+]2C)n1CC(C)C ZINC001358103926 1056140400 /nfs/dbraw/zinc/14/04/00/1056140400.db2.gz BUMWAELJKDWSBM-HLIPFELVSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc([C@]2(C)C[C@@H](O)C[N@H+]2C)n1CC(C)C ZINC001358103926 1056140407 /nfs/dbraw/zinc/14/04/07/1056140407.db2.gz BUMWAELJKDWSBM-HLIPFELVSA-N 1 2 361.534 2.781 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1CCOC ZINC001358343018 1056264098 /nfs/dbraw/zinc/26/40/98/1056264098.db2.gz UACQVMVIZULBQA-MJGOQNOKSA-N 1 2 367.497 2.720 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1CCOC ZINC001358343018 1056264113 /nfs/dbraw/zinc/26/41/13/1056264113.db2.gz UACQVMVIZULBQA-MJGOQNOKSA-N 1 2 367.497 2.720 20 30 FFEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001339299979 1056305665 /nfs/dbraw/zinc/30/56/65/1056305665.db2.gz HOSJPFPJXUDGLO-IAGOWNOFSA-N 1 2 360.502 2.815 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc(Cc2[nH+]ccn2C)n1CC ZINC001339390058 1056404443 /nfs/dbraw/zinc/40/44/43/1056404443.db2.gz ALJBTQOSSFCDGN-UHFFFAOYSA-N 1 2 354.433 2.954 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCC[C@@H]2OC)CC1 ZINC001359035175 1056667102 /nfs/dbraw/zinc/66/71/02/1056667102.db2.gz NALZVQFUZHKOLK-MOPGFXCFSA-N 1 2 371.529 2.506 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CCC[C@@H]2CCCCO2)CC1 ZINC001359035417 1056668917 /nfs/dbraw/zinc/66/89/17/1056668917.db2.gz SYAZFQLNPTWNSU-IBGZPJMESA-N 1 2 371.529 2.650 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001450836933 1059056245 /nfs/dbraw/zinc/05/62/45/1059056245.db2.gz ZJRMBJFJARWVHB-IAGOWNOFSA-N 1 2 365.518 2.742 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC001515018621 1059228451 /nfs/dbraw/zinc/22/84/51/1059228451.db2.gz CAHXLBPPHRSNBJ-GOSISDBHSA-N 1 2 359.518 2.845 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC(OC2CCC2)CC1 ZINC001515042345 1059253609 /nfs/dbraw/zinc/25/36/09/1059253609.db2.gz OOEPBLJECLGZKP-UHFFFAOYSA-N 1 2 370.501 2.716 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001515089208 1059312632 /nfs/dbraw/zinc/31/26/32/1059312632.db2.gz JJKRJQKMRLBTBZ-DZGCQCFKSA-N 1 2 354.454 2.790 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001505775823 1059403042 /nfs/dbraw/zinc/40/30/42/1059403042.db2.gz FLXYDTMQXVKMTJ-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001505775823 1059403056 /nfs/dbraw/zinc/40/30/56/1059403056.db2.gz FLXYDTMQXVKMTJ-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO Cc1cc(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cc(C)[nH+]1 ZINC000848227781 1059412805 /nfs/dbraw/zinc/41/28/05/1059412805.db2.gz LHZDEHXASUPSPW-UHFFFAOYSA-N 1 2 371.481 2.965 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)n2CC=C)C1 ZINC001520245108 1059531500 /nfs/dbraw/zinc/53/15/00/1059531500.db2.gz SSKMKKULRWNOPR-GUDVDZBRSA-N 1 2 369.513 2.630 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)n2CC=C)C1 ZINC001520245108 1059531521 /nfs/dbraw/zinc/53/15/21/1059531521.db2.gz SSKMKKULRWNOPR-GUDVDZBRSA-N 1 2 369.513 2.630 20 30 FFEDLO C#CCCCn1c([C@H](C)CC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001507574368 1059643174 /nfs/dbraw/zinc/64/31/74/1059643174.db2.gz NGOCNWSWEJBZSL-MRXNPFEDSA-N 1 2 367.501 2.630 20 30 FFEDLO C=CCn1c(CCCCCO)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001520387070 1059653463 /nfs/dbraw/zinc/65/34/63/1059653463.db2.gz YATSTMPUSLEVKW-UHFFFAOYSA-N 1 2 370.501 2.645 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C)n2CCCCOc2ccc(C)cc2)CC1 ZINC001507719897 1059700004 /nfs/dbraw/zinc/70/00/04/1059700004.db2.gz QRQCRWZXKHOCKL-UHFFFAOYSA-N 1 2 367.497 2.509 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CC2(OCC)CCCC2)CC1 ZINC001507719713 1059700410 /nfs/dbraw/zinc/70/04/10/1059700410.db2.gz AKWRXUWZBDVWMO-GOSISDBHSA-N 1 2 373.545 2.896 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2Cc2ccc3sccc3c2)CC1 ZINC001507730257 1059703583 /nfs/dbraw/zinc/70/35/83/1059703583.db2.gz PTJLZKZOOPEXLU-UHFFFAOYSA-N 1 2 365.506 2.859 20 30 FFEDLO COc1ccc(OCc2nc(C=NNCCCn3cc[nH+]c3)cs2)cc1 ZINC000848417606 1059972253 /nfs/dbraw/zinc/97/22/53/1059972253.db2.gz CCZWAIQILYQRTH-UHFFFAOYSA-N 1 2 371.466 2.941 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H]2CCC(=NNCCCn3cc[nH+]c3)C[C@@H]2C1 ZINC000848416700 1059973609 /nfs/dbraw/zinc/97/36/09/1059973609.db2.gz VDDWVQJYGHQORW-HZPDHXFCSA-N 1 2 361.490 2.886 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C(C)(C)C2)CCC1 ZINC001509576622 1060104268 /nfs/dbraw/zinc/10/42/68/1060104268.db2.gz DNAVMYSOVJXAMG-BFYDXBDKSA-N 1 2 370.497 2.613 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C(C)(C)C2)CCC1 ZINC001509576622 1060104280 /nfs/dbraw/zinc/10/42/80/1060104280.db2.gz DNAVMYSOVJXAMG-BFYDXBDKSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001510144585 1060181142 /nfs/dbraw/zinc/18/11/42/1060181142.db2.gz WODUOHFZHFHOKH-QINHECLXSA-N 1 2 358.486 2.565 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001510144585 1060181157 /nfs/dbraw/zinc/18/11/57/1060181157.db2.gz WODUOHFZHFHOKH-QINHECLXSA-N 1 2 358.486 2.565 20 30 FFEDLO Cc1c[nH+]c2cc(C(=O)O[C@H](C)C(=O)NC3(C#N)CCCCC3)ccn12 ZINC000848780336 1060679220 /nfs/dbraw/zinc/67/92/20/1060679220.db2.gz PAQDFPYKSUIMQQ-CQSZACIVSA-N 1 2 354.410 2.531 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@@]2(CC=CCC2)C1 ZINC001355918929 1060725101 /nfs/dbraw/zinc/72/51/01/1060725101.db2.gz FGJRBCKUTSAAAS-ZWOKBUDYSA-N 1 2 357.502 2.528 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@@]2(CC=CCC2)C1 ZINC001355918929 1060725116 /nfs/dbraw/zinc/72/51/16/1060725116.db2.gz FGJRBCKUTSAAAS-ZWOKBUDYSA-N 1 2 357.502 2.528 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC(C)(C)CC(C)(C)C1 ZINC001355920665 1060728870 /nfs/dbraw/zinc/72/88/70/1060728870.db2.gz VCJLXJZXHKITTI-HOTGVXAUSA-N 1 2 361.534 2.854 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC(C)(C)CC(C)(C)C1 ZINC001355920665 1060728874 /nfs/dbraw/zinc/72/88/74/1060728874.db2.gz VCJLXJZXHKITTI-HOTGVXAUSA-N 1 2 361.534 2.854 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCC1 ZINC001525973290 1060943830 /nfs/dbraw/zinc/94/38/30/1060943830.db2.gz ZFYIUTYKZZGXLY-BRWVUGGUSA-N 1 2 370.497 2.614 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCC1 ZINC001525973290 1060943853 /nfs/dbraw/zinc/94/38/53/1060943853.db2.gz ZFYIUTYKZZGXLY-BRWVUGGUSA-N 1 2 370.497 2.614 20 30 FFEDLO C[N@@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)C[C@H](O)c1cccc(C#N)c1 ZINC001460355393 1060979345 /nfs/dbraw/zinc/97/93/45/1060979345.db2.gz CMIHPPSEDXYIBZ-IBGZPJMESA-N 1 2 367.840 2.958 20 30 FFEDLO C[N@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)C[C@H](O)c1cccc(C#N)c1 ZINC001460355393 1060979364 /nfs/dbraw/zinc/97/93/64/1060979364.db2.gz CMIHPPSEDXYIBZ-IBGZPJMESA-N 1 2 367.840 2.958 20 30 FFEDLO C[N@@H+](Cc1nnc2n1CCC[C@@H]2C(F)(F)F)C[C@H](O)CC1(C#N)CCC1 ZINC001460780392 1061100124 /nfs/dbraw/zinc/10/01/24/1061100124.db2.gz MACMSCYUSQCWLN-OLZOCXBDSA-N 1 2 371.407 2.594 20 30 FFEDLO C[N@H+](Cc1nnc2n1CCC[C@@H]2C(F)(F)F)C[C@H](O)CC1(C#N)CCC1 ZINC001460780392 1061100139 /nfs/dbraw/zinc/10/01/39/1061100139.db2.gz MACMSCYUSQCWLN-OLZOCXBDSA-N 1 2 371.407 2.594 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460978305 1061174381 /nfs/dbraw/zinc/17/43/81/1061174381.db2.gz UEFJNMLOJMQLLE-CLCXKQKWSA-N 1 2 352.475 2.731 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460978305 1061174392 /nfs/dbraw/zinc/17/43/92/1061174392.db2.gz UEFJNMLOJMQLLE-CLCXKQKWSA-N 1 2 352.475 2.731 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001521949428 1061315656 /nfs/dbraw/zinc/31/56/56/1061315656.db2.gz GGXSTWZBQDOFRU-WHSLLNHNSA-N 1 2 368.481 2.761 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@H]2C)CC1 ZINC000939921019 1061501435 /nfs/dbraw/zinc/50/14/35/1061501435.db2.gz SAAGMARDRNQWMY-UWWQBHOKSA-N 1 2 370.497 2.539 20 30 FFEDLO CC(C)Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCCNc1cccc[nH+]1 ZINC001359811187 1061782367 /nfs/dbraw/zinc/78/23/67/1061782367.db2.gz GOAKMPWNSVJRLE-IBGZPJMESA-N 1 2 371.464 2.816 20 30 FFEDLO C=CC[C@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC001477962001 1061852598 /nfs/dbraw/zinc/85/25/98/1061852598.db2.gz DZGAFVOCAOVFCI-PMACEKPBSA-N 1 2 357.498 2.538 20 30 FFEDLO N#CCc1ccc(CS(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001462955120 1061861987 /nfs/dbraw/zinc/86/19/87/1061861987.db2.gz UUQOHHYOMRSXGB-UHFFFAOYSA-N 1 2 366.446 2.558 20 30 FFEDLO C#CCCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001522296675 1061890942 /nfs/dbraw/zinc/89/09/42/1061890942.db2.gz UKMDJBIJYDBQRP-AKHDSKFASA-N 1 2 370.497 2.522 20 30 FFEDLO C#C[C@@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1)C(C)(C)C ZINC001479138319 1062245936 /nfs/dbraw/zinc/24/59/36/1062245936.db2.gz PBUYPAUIFVATOE-RTBURBONSA-N 1 2 357.498 2.543 20 30 FFEDLO C#C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1)C(C)(C)C ZINC001479138319 1062245957 /nfs/dbraw/zinc/24/59/57/1062245957.db2.gz PBUYPAUIFVATOE-RTBURBONSA-N 1 2 357.498 2.543 20 30 FFEDLO C=C(C)CCC(=O)N(CCC)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001530026325 1062468894 /nfs/dbraw/zinc/46/88/94/1062468894.db2.gz YGIAFHMRCITLOS-GVDBMIGSSA-N 1 2 358.486 2.709 20 30 FFEDLO C=C(C)CCC(=O)N(CCC)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001530026325 1062468905 /nfs/dbraw/zinc/46/89/05/1062468905.db2.gz YGIAFHMRCITLOS-GVDBMIGSSA-N 1 2 358.486 2.709 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@](O)(C(F)(F)F)C1 ZINC001524338541 1062807273 /nfs/dbraw/zinc/80/72/73/1062807273.db2.gz WGQKOYFFQIGSDP-CJNGLKHVSA-N 1 2 373.423 2.515 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@](O)(C(F)(F)F)C1 ZINC001524338541 1062807298 /nfs/dbraw/zinc/80/72/98/1062807298.db2.gz WGQKOYFFQIGSDP-CJNGLKHVSA-N 1 2 373.423 2.515 20 30 FFEDLO Cc1ccc(-c2nc(C[N@H+]3CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]3C)co2)cc1 ZINC001479701771 1062828556 /nfs/dbraw/zinc/82/85/56/1062828556.db2.gz OLHDPXXPBWVSHX-DAYGRLMNSA-N 1 2 352.438 2.889 20 30 FFEDLO Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]3C)co2)cc1 ZINC001479701771 1062828578 /nfs/dbraw/zinc/82/85/78/1062828578.db2.gz OLHDPXXPBWVSHX-DAYGRLMNSA-N 1 2 352.438 2.889 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)[C@@H]1C ZINC001479702623 1062835782 /nfs/dbraw/zinc/83/57/82/1062835782.db2.gz ATNJLQRULXRLBZ-PZPSRYQVSA-N 1 2 354.853 2.885 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)[C@@H]1C ZINC001479702623 1062835802 /nfs/dbraw/zinc/83/58/02/1062835802.db2.gz ATNJLQRULXRLBZ-PZPSRYQVSA-N 1 2 354.853 2.885 20 30 FFEDLO C#CCCCCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001495419439 1063492985 /nfs/dbraw/zinc/49/29/85/1063492985.db2.gz WIJSUDUEKLESLR-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO C#CCCCCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001495419439 1063492991 /nfs/dbraw/zinc/49/29/91/1063492991.db2.gz WIJSUDUEKLESLR-KZNAEPCWSA-N 1 2 370.497 2.546 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001498406136 1063819264 /nfs/dbraw/zinc/81/92/64/1063819264.db2.gz XMASUDGSPOMNHH-JVPBZIDWSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001498406136 1063819278 /nfs/dbraw/zinc/81/92/78/1063819278.db2.gz XMASUDGSPOMNHH-JVPBZIDWSA-N 1 2 359.445 2.615 20 30 FFEDLO CCc1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001498583002 1063830050 /nfs/dbraw/zinc/83/00/50/1063830050.db2.gz QKLMOAKYXSBBTH-OAHLLOKOSA-N 1 2 355.490 2.868 20 30 FFEDLO C[N@@H+]1CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)[C@H](Cc2ccccc2)C1 ZINC001469806186 1064214082 /nfs/dbraw/zinc/21/40/82/1064214082.db2.gz WHSZDHDAHAWVSA-RGFVMQALSA-N 1 2 366.436 2.793 20 30 FFEDLO C[N@H+]1CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)[C@H](Cc2ccccc2)C1 ZINC001469806186 1064214089 /nfs/dbraw/zinc/21/40/89/1064214089.db2.gz WHSZDHDAHAWVSA-RGFVMQALSA-N 1 2 366.436 2.793 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCc2cnn[nH]2)CC1 ZINC001575073552 1078103417 /nfs/dbraw/zinc/10/34/17/1078103417.db2.gz LVDXGRPSZINPMQ-LPHOPBHVSA-N 1 2 359.518 2.653 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CCc2cnn[nH]2)CC1 ZINC001575073552 1078103419 /nfs/dbraw/zinc/10/34/19/1078103419.db2.gz LVDXGRPSZINPMQ-LPHOPBHVSA-N 1 2 359.518 2.653 20 30 FFEDLO C=CCC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2c[nH]nn2)C1)c1ccccc1 ZINC001575088248 1078105447 /nfs/dbraw/zinc/10/54/47/1078105447.db2.gz ZNFCELBAMBBPDE-IEZWGBDMSA-N 1 2 353.470 2.539 20 30 FFEDLO C=CCC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cn[nH]n2)C1)c1ccccc1 ZINC001575088248 1078105449 /nfs/dbraw/zinc/10/54/49/1078105449.db2.gz ZNFCELBAMBBPDE-IEZWGBDMSA-N 1 2 353.470 2.539 20 30 FFEDLO C=CCCC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)c2cccn2CC)CC1 ZINC001575093744 1078105869 /nfs/dbraw/zinc/10/58/69/1078105869.db2.gz PMSUQGOKXFUBDI-UHFFFAOYSA-N 1 2 370.501 2.699 20 30 FFEDLO CCCCCCN(CC[NH+]1CCOCC1)c1cc(C#N)nc(C2CC2)n1 ZINC001472713736 1065132525 /nfs/dbraw/zinc/13/25/25/1065132525.db2.gz SOKYDNZBPLMDOF-UHFFFAOYSA-N 1 2 357.502 2.945 20 30 FFEDLO COc1ccc([C@H]2C[N@H+](C[C@@H](O)CC3(C#N)CCC3)CCO2)cc1OC ZINC001473888484 1065408137 /nfs/dbraw/zinc/40/81/37/1065408137.db2.gz MISJCTICROMMGU-QFBILLFUSA-N 1 2 360.454 2.522 20 30 FFEDLO COc1ccc([C@H]2C[N@@H+](C[C@@H](O)CC3(C#N)CCC3)CCO2)cc1OC ZINC001473888484 1065408143 /nfs/dbraw/zinc/40/81/43/1065408143.db2.gz MISJCTICROMMGU-QFBILLFUSA-N 1 2 360.454 2.522 20 30 FFEDLO C=CCC(C)(C)C(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001580249226 1078773950 /nfs/dbraw/zinc/77/39/50/1078773950.db2.gz RTCARGREHKVLOR-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CCC(C)(C)C(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001580249226 1078773951 /nfs/dbraw/zinc/77/39/51/1078773951.db2.gz RTCARGREHKVLOR-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO N#Cc1ccccc1COc1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1 ZINC001556699408 1075765612 /nfs/dbraw/zinc/76/56/12/1075765612.db2.gz RSNCNOMZNYUASQ-SFHVURJKSA-N 1 2 358.401 2.688 20 30 FFEDLO C#C[C@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1)c1ccc(F)cc1 ZINC001556730248 1075769348 /nfs/dbraw/zinc/76/93/48/1075769348.db2.gz JKVYGUZZGZITOD-VQTJNVASSA-N 1 2 352.409 2.899 20 30 FFEDLO C#C[C@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1)c1ccc(F)cc1 ZINC001556730248 1075769352 /nfs/dbraw/zinc/76/93/52/1075769352.db2.gz JKVYGUZZGZITOD-VQTJNVASSA-N 1 2 352.409 2.899 20 30 FFEDLO C[C@H]1CN(c2c(Br)cccc2C#N)CC[N@@H+]1CC(C)(C)O ZINC001559167362 1076131885 /nfs/dbraw/zinc/13/18/85/1076131885.db2.gz XGRSTESMFXOJRL-LBPRGKRZSA-N 1 2 352.276 2.602 20 30 FFEDLO C[C@H]1CN(c2c(Br)cccc2C#N)CC[N@H+]1CC(C)(C)O ZINC001559167362 1076131887 /nfs/dbraw/zinc/13/18/87/1076131887.db2.gz XGRSTESMFXOJRL-LBPRGKRZSA-N 1 2 352.276 2.602 20 30 FFEDLO N#Cc1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)cc2=O ZINC001559554878 1076172553 /nfs/dbraw/zinc/17/25/53/1076172553.db2.gz MZUKHNGZOZCIOD-ZWKOTPCHSA-N 1 2 358.405 2.578 20 30 FFEDLO N#Cc1cnn2c1[nH]c(C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)cc2=O ZINC001559554878 1076172557 /nfs/dbraw/zinc/17/25/57/1076172557.db2.gz MZUKHNGZOZCIOD-ZWKOTPCHSA-N 1 2 358.405 2.578 20 30 FFEDLO C#CCNC(=O)C[N@@H+](C)Cc1ccccc1Oc1ccc(C)cc1OC ZINC001560153938 1076237813 /nfs/dbraw/zinc/23/78/13/1076237813.db2.gz VGQNRWKGDFTNKJ-UHFFFAOYSA-N 1 2 352.434 2.977 20 30 FFEDLO C#CCNC(=O)C[N@H+](C)Cc1ccccc1Oc1ccc(C)cc1OC ZINC001560153938 1076237815 /nfs/dbraw/zinc/23/78/15/1076237815.db2.gz VGQNRWKGDFTNKJ-UHFFFAOYSA-N 1 2 352.434 2.977 20 30 FFEDLO CC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC1 ZINC001561153183 1076339753 /nfs/dbraw/zinc/33/97/53/1076339753.db2.gz IGVAEDOIGYZOLY-UHFFFAOYSA-N 1 2 355.891 2.511 20 30 FFEDLO Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c(C#N)c1 ZINC001561897893 1076440969 /nfs/dbraw/zinc/44/09/69/1076440969.db2.gz YZHDSRVEORDTPI-OALUTQOASA-N 1 2 367.474 2.514 20 30 FFEDLO Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)c(C#N)c1 ZINC001561897893 1076440974 /nfs/dbraw/zinc/44/09/74/1076440974.db2.gz YZHDSRVEORDTPI-OALUTQOASA-N 1 2 367.474 2.514 20 30 FFEDLO C=CC[C@H]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)C1 ZINC001565224297 1076698987 /nfs/dbraw/zinc/69/89/87/1076698987.db2.gz IMKWAHJZBWBROX-AZUAARDMSA-N 1 2 357.498 2.803 20 30 FFEDLO C=CC[C@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)C1 ZINC001565224297 1076698994 /nfs/dbraw/zinc/69/89/94/1076698994.db2.gz IMKWAHJZBWBROX-AZUAARDMSA-N 1 2 357.498 2.803 20 30 FFEDLO N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C(F)C(F)(F)F)C2)c1 ZINC001565896120 1076786746 /nfs/dbraw/zinc/78/67/46/1076786746.db2.gz UUFZLZOKQCFYGC-RRFJBIMHSA-N 1 2 357.351 2.833 20 30 FFEDLO N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H](F)C(F)(F)F)C2)c1 ZINC001565896120 1076786748 /nfs/dbraw/zinc/78/67/48/1076786748.db2.gz UUFZLZOKQCFYGC-RRFJBIMHSA-N 1 2 357.351 2.833 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nncn2-c2ccccc2)[C@@H]1CC ZINC001566011913 1076846055 /nfs/dbraw/zinc/84/60/55/1076846055.db2.gz KBJOIGBLNNKDMJ-RBUKOAKNSA-N 1 2 365.481 2.540 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nncn2-c2ccccc2)[C@@H]1CC ZINC001566011913 1076846060 /nfs/dbraw/zinc/84/60/60/1076846060.db2.gz KBJOIGBLNNKDMJ-RBUKOAKNSA-N 1 2 365.481 2.540 20 30 FFEDLO C=CCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3-c3ccccc3)CC[C@@H]2C1 ZINC001566040950 1076871053 /nfs/dbraw/zinc/87/10/53/1076871053.db2.gz WTFRTXKQIKIKOO-MSOLQXFVSA-N 1 2 365.481 2.514 20 30 FFEDLO C=CCCC(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3-c3ccccc3)CC[C@@H]2C1 ZINC001566040950 1076871055 /nfs/dbraw/zinc/87/10/55/1076871055.db2.gz WTFRTXKQIKIKOO-MSOLQXFVSA-N 1 2 365.481 2.514 20 30 FFEDLO COc1cccc(-c2cnc(C[N@@H+]3CC[C@H](NC(=O)[C@H](C)C#N)[C@H]3C)o2)c1 ZINC001566083086 1076889835 /nfs/dbraw/zinc/88/98/35/1076889835.db2.gz ZRZCMNKKXCXNCE-CPUCHLNUSA-N 1 2 368.437 2.589 20 30 FFEDLO COc1cccc(-c2cnc(C[N@H+]3CC[C@H](NC(=O)[C@H](C)C#N)[C@H]3C)o2)c1 ZINC001566083086 1076889838 /nfs/dbraw/zinc/88/98/38/1076889838.db2.gz ZRZCMNKKXCXNCE-CPUCHLNUSA-N 1 2 368.437 2.589 20 30 FFEDLO CC[C@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001566814790 1076984364 /nfs/dbraw/zinc/98/43/64/1076984364.db2.gz XXPGFSSWNKAVKT-VQTJNVASSA-N 1 2 355.482 2.939 20 30 FFEDLO CC[C@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC001566814790 1076984369 /nfs/dbraw/zinc/98/43/69/1076984369.db2.gz XXPGFSSWNKAVKT-VQTJNVASSA-N 1 2 355.482 2.939 20 30 FFEDLO CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C1=O ZINC001568440369 1077092054 /nfs/dbraw/zinc/09/20/54/1077092054.db2.gz SYWWDGZWTZPDPI-AUUYWEPGSA-N 1 2 366.506 2.561 20 30 FFEDLO CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)C1=O ZINC001568440369 1077092058 /nfs/dbraw/zinc/09/20/58/1077092058.db2.gz SYWWDGZWTZPDPI-AUUYWEPGSA-N 1 2 366.506 2.561 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C)C1 ZINC001572527625 1077334547 /nfs/dbraw/zinc/33/45/47/1077334547.db2.gz OCMSGTCQXXLQQZ-IIAWOOMASA-N 1 2 358.486 2.517 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C)C1 ZINC001572527625 1077334552 /nfs/dbraw/zinc/33/45/52/1077334552.db2.gz OCMSGTCQXXLQQZ-IIAWOOMASA-N 1 2 358.486 2.517 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001573088132 1077527057 /nfs/dbraw/zinc/52/70/57/1077527057.db2.gz ZIJFCQITUHQZQX-DJIMGWMZSA-N 1 2 360.502 2.734 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001573088132 1077527063 /nfs/dbraw/zinc/52/70/63/1077527063.db2.gz ZIJFCQITUHQZQX-DJIMGWMZSA-N 1 2 360.502 2.734 20 30 FFEDLO C=C(C)CCC(=O)N1CCCC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001573629428 1077759167 /nfs/dbraw/zinc/75/91/67/1077759167.db2.gz BGJUUBAORUMGDL-GVDBMIGSSA-N 1 2 358.486 2.709 20 30 FFEDLO C=C(C)CCC(=O)N1CCCC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001573629428 1077759169 /nfs/dbraw/zinc/75/91/69/1077759169.db2.gz BGJUUBAORUMGDL-GVDBMIGSSA-N 1 2 358.486 2.709 20 30 FFEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1N(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001574086020 1077893429 /nfs/dbraw/zinc/89/34/29/1077893429.db2.gz NNLTUSBFOMHIQQ-LUQKVYGDSA-N 1 2 370.497 2.683 20 30 FFEDLO C=CCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001574275407 1077946172 /nfs/dbraw/zinc/94/61/72/1077946172.db2.gz ZXOSBNGQCNNKIZ-VSZNYVQBSA-N 1 2 358.486 2.685 20 30 FFEDLO C#C[C@H]([NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccc(Cl)cc1 ZINC001588328961 1079986280 /nfs/dbraw/zinc/98/62/80/1079986280.db2.gz UVQGPLHSNBQORE-INIZCTEOSA-N 1 2 363.812 2.632 20 30 FFEDLO C#C[C@@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC001588332581 1079987831 /nfs/dbraw/zinc/98/78/31/1079987831.db2.gz NGSSTQUVZNVZML-LLVKDONJSA-N 1 2 370.363 2.866 20 30 FFEDLO C=CC[N@@H+](CC(=O)N[C@H]1CCCC[C@H]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588628120 1080127304 /nfs/dbraw/zinc/12/73/04/1080127304.db2.gz RPOHQYIUAYSJLP-QAPCUYQASA-N 1 2 368.485 2.550 20 30 FFEDLO C=CC[N@H+](CC(=O)N[C@H]1CCCC[C@H]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588628120 1080127307 /nfs/dbraw/zinc/12/73/07/1080127307.db2.gz RPOHQYIUAYSJLP-QAPCUYQASA-N 1 2 368.485 2.550 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2CCSC(C)C)CC1 ZINC001588768803 1080187284 /nfs/dbraw/zinc/18/72/84/1080187284.db2.gz LEXMQPHCNWSUAH-UHFFFAOYSA-N 1 2 373.526 2.743 20 30 FFEDLO CC[C@@H](C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N)c1ccc(OC)cc1 ZINC000539524367 540969710 /nfs/dbraw/zinc/96/97/10/540969710.db2.gz FSHFZRXONZNVJC-OAHLLOKOSA-N 1 2 355.442 2.574 20 30 FFEDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3cccc(C#N)c3)CC2)c1 ZINC000030108281 211520419 /nfs/dbraw/zinc/52/04/19/211520419.db2.gz DHPZYYAGDFEFLG-UHFFFAOYSA-N 1 2 365.433 2.533 20 30 FFEDLO CCOc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1F ZINC000278405360 256308901 /nfs/dbraw/zinc/30/89/01/256308901.db2.gz GJDLLQWICJWHBM-AWEZNQCLSA-N 1 2 355.417 2.597 20 30 FFEDLO CCOc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1F ZINC000278405360 256308903 /nfs/dbraw/zinc/30/89/03/256308903.db2.gz GJDLLQWICJWHBM-AWEZNQCLSA-N 1 2 355.417 2.597 20 30 FFEDLO N#Cc1ccccc1CSCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000278453823 256314734 /nfs/dbraw/zinc/31/47/34/256314734.db2.gz UXELXTVADSAQML-UHFFFAOYSA-N 1 2 355.467 2.530 20 30 FFEDLO N#Cc1ccccc1CSCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000278453823 256314735 /nfs/dbraw/zinc/31/47/35/256314735.db2.gz UXELXTVADSAQML-UHFFFAOYSA-N 1 2 355.467 2.530 20 30 FFEDLO CC(C)n1nccc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000279671419 256440149 /nfs/dbraw/zinc/44/01/49/256440149.db2.gz OWNDUJAYKFFLPI-UHFFFAOYSA-N 1 2 366.425 2.906 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)cc1C ZINC000280397605 256512117 /nfs/dbraw/zinc/51/21/17/256512117.db2.gz AFPHJLKXFFUSFL-MRXNPFEDSA-N 1 2 358.467 2.999 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287071286 257070459 /nfs/dbraw/zinc/07/04/59/257070459.db2.gz PZZTYHHRRYUUBI-DOTOQJQBSA-N 1 2 372.469 2.672 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000301373486 258045828 /nfs/dbraw/zinc/04/58/28/258045828.db2.gz QJFBOBXFXHZKPV-CQSZACIVSA-N 1 2 370.403 2.986 20 30 FFEDLO Cc1cc(C2CC[NH+]([C@H]3CCN(c4sccc4C#N)C3=O)CC2)[nH]n1 ZINC000299730809 258021589 /nfs/dbraw/zinc/02/15/89/258021589.db2.gz WXFZELYSDKYRMC-INIZCTEOSA-N 1 2 355.467 2.636 20 30 FFEDLO Cc1cc(C2CC[NH+]([C@H]3CCN(c4sccc4C#N)C3=O)CC2)n[nH]1 ZINC000299730809 258021590 /nfs/dbraw/zinc/02/15/90/258021590.db2.gz WXFZELYSDKYRMC-INIZCTEOSA-N 1 2 355.467 2.636 20 30 FFEDLO CC(=O)c1ccc(C#N)c(N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000302115457 258088661 /nfs/dbraw/zinc/08/86/61/258088661.db2.gz RHBXXQCQLNRGTR-INIZCTEOSA-N 1 2 363.465 2.778 20 30 FFEDLO N#Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1 ZINC000302195565 258094729 /nfs/dbraw/zinc/09/47/29/258094729.db2.gz DUPXYMJEFXBAGR-UXHICEINSA-N 1 2 364.405 2.556 20 30 FFEDLO N#Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1 ZINC000302195565 258094730 /nfs/dbraw/zinc/09/47/30/258094730.db2.gz DUPXYMJEFXBAGR-UXHICEINSA-N 1 2 364.405 2.556 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(Oc3ccccn3)CC2)C1=O ZINC000328597587 258116052 /nfs/dbraw/zinc/11/60/52/258116052.db2.gz AKGNJIHXVFPHMR-INIZCTEOSA-N 1 2 368.462 2.663 20 30 FFEDLO CC(C)N1CCC[C@@H]([NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)C1=O ZINC000328623314 258116416 /nfs/dbraw/zinc/11/64/16/258116416.db2.gz YTDVNARTTLPWFV-GOSISDBHSA-N 1 2 360.889 2.733 20 30 FFEDLO CCc1nnc(N2CC[NH+](Cc3cccc(O)c3)CC2)c(C#N)c1CC ZINC000301622774 258059421 /nfs/dbraw/zinc/05/94/21/258059421.db2.gz OFSVGEOLFQJNGV-UHFFFAOYSA-N 1 2 351.454 2.501 20 30 FFEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@@]2(CCCOC2)O1 ZINC000330102260 258155258 /nfs/dbraw/zinc/15/52/58/258155258.db2.gz GAVZLKBTFOHVDA-SCLBCKFNSA-N 1 2 352.381 2.930 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@@]2(CCCOC2)O1 ZINC000330102260 258155259 /nfs/dbraw/zinc/15/52/59/258155259.db2.gz GAVZLKBTFOHVDA-SCLBCKFNSA-N 1 2 352.381 2.930 20 30 FFEDLO C[N@@H+]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)[C@@H](c2ccccc2)C1 ZINC000331402556 258184809 /nfs/dbraw/zinc/18/48/09/258184809.db2.gz NXEUAHHMETUQCR-LJQANCHMSA-N 1 2 373.453 2.516 20 30 FFEDLO C[N@H+]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)[C@@H](c2ccccc2)C1 ZINC000331402556 258184810 /nfs/dbraw/zinc/18/48/10/258184810.db2.gz NXEUAHHMETUQCR-LJQANCHMSA-N 1 2 373.453 2.516 20 30 FFEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000332573215 258235719 /nfs/dbraw/zinc/23/57/19/258235719.db2.gz ZRJHEXXEJKONPG-OAHLLOKOSA-N 1 2 360.889 2.735 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1)C1CC1 ZINC000053229623 506337029 /nfs/dbraw/zinc/33/70/29/506337029.db2.gz JMBLSBLCCNRNPD-AZUAARDMSA-N 1 2 359.445 2.615 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1)C1CC1 ZINC000053229623 506337035 /nfs/dbraw/zinc/33/70/35/506337035.db2.gz JMBLSBLCCNRNPD-AZUAARDMSA-N 1 2 359.445 2.615 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3noc(-c4ccccc4)n3)CC2)cc1 ZINC000053420243 506375300 /nfs/dbraw/zinc/37/53/00/506375300.db2.gz LVJWWFGUHDHFAT-UHFFFAOYSA-N 1 2 359.433 2.926 20 30 FFEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000375254061 512233546 /nfs/dbraw/zinc/23/35/46/512233546.db2.gz IAUYVWUUDSEYJA-AUUYWEPGSA-N 1 2 354.454 2.901 20 30 FFEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000375254061 512233551 /nfs/dbraw/zinc/23/35/51/512233551.db2.gz IAUYVWUUDSEYJA-AUUYWEPGSA-N 1 2 354.454 2.901 20 30 FFEDLO C#CCNC(=O)c1ccc(N2CCC(n3c(C)[nH+]c4ccccc43)CC2)nc1 ZINC000369166819 512262246 /nfs/dbraw/zinc/26/22/46/512262246.db2.gz LSUMEFIZFFWNDS-UHFFFAOYSA-N 1 2 373.460 2.944 20 30 FFEDLO COc1ccc(NC(=O)CO[NH+]=C(N)Cc2csc(C)n2)cc1Cl ZINC000054391085 506549114 /nfs/dbraw/zinc/54/91/14/506549114.db2.gz PJYGBTVCBLXSOO-UHFFFAOYSA-N 1 2 368.846 2.584 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000042287640 506614206 /nfs/dbraw/zinc/61/42/06/506614206.db2.gz JNAWOMOAQSNOKL-RGFVMQALSA-N 1 2 353.510 2.907 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000042287640 506614213 /nfs/dbraw/zinc/61/42/13/506614213.db2.gz JNAWOMOAQSNOKL-RGFVMQALSA-N 1 2 353.510 2.907 20 30 FFEDLO C=CCn1c2ccccc2nc1S[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000043461757 506745984 /nfs/dbraw/zinc/74/59/84/506745984.db2.gz RNEMELVXYCQYAE-OAHLLOKOSA-N 1 2 358.511 2.867 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000044741652 506882222 /nfs/dbraw/zinc/88/22/22/506882222.db2.gz AIKCUXAHIXXEKS-HZPDHXFCSA-N 1 2 362.905 2.779 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000044741652 506882228 /nfs/dbraw/zinc/88/22/28/506882228.db2.gz AIKCUXAHIXXEKS-HZPDHXFCSA-N 1 2 362.905 2.779 20 30 FFEDLO N#Cc1ccc(NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000045027368 506908116 /nfs/dbraw/zinc/90/81/16/506908116.db2.gz KKUSWTBRCGXEJT-IBGZPJMESA-N 1 2 350.422 2.753 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000067577987 506936528 /nfs/dbraw/zinc/93/65/28/506936528.db2.gz HDBJMRGBIREZSQ-OAHLLOKOSA-N 1 2 362.499 2.877 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CCC[C@@H](C(=O)OCC)C1)Cc1ccccc1F ZINC000056312546 506982659 /nfs/dbraw/zinc/98/26/59/506982659.db2.gz TTWFOBZYQSTKTE-QGZVFWFLSA-N 1 2 362.445 2.615 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CCC[C@@H](C(=O)OCC)C1)Cc1ccccc1F ZINC000056312546 506982666 /nfs/dbraw/zinc/98/26/66/506982666.db2.gz TTWFOBZYQSTKTE-QGZVFWFLSA-N 1 2 362.445 2.615 20 30 FFEDLO N#Cc1cccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000067709130 506986042 /nfs/dbraw/zinc/98/60/42/506986042.db2.gz HKLCIKROSXJSFJ-LJQANCHMSA-N 1 2 351.475 2.965 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)COc3ccccc3Cl)CC2)cc1 ZINC000015742379 507058136 /nfs/dbraw/zinc/05/81/36/507058136.db2.gz COJAEGBMBOZOCT-UHFFFAOYSA-N 1 2 369.852 2.935 20 30 FFEDLO C[N@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1ccc(C#N)cc1 ZINC000046528920 507150414 /nfs/dbraw/zinc/15/04/14/507150414.db2.gz TUWTWCDYAIZNBD-UHFFFAOYSA-N 1 2 362.433 2.521 20 30 FFEDLO C[N@@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1ccc(C#N)cc1 ZINC000046528920 507150421 /nfs/dbraw/zinc/15/04/21/507150421.db2.gz TUWTWCDYAIZNBD-UHFFFAOYSA-N 1 2 362.433 2.521 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)Cc2cnn(C)c2)c1C#N ZINC000021308562 507250880 /nfs/dbraw/zinc/25/08/80/507250880.db2.gz AVUVOTQIQCFDOA-UHFFFAOYSA-N 1 2 368.485 2.896 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)Cc2cnn(C)c2)c1C#N ZINC000021308562 507250883 /nfs/dbraw/zinc/25/08/83/507250883.db2.gz AVUVOTQIQCFDOA-UHFFFAOYSA-N 1 2 368.485 2.896 20 30 FFEDLO C[C@@H](C(=O)N(C)C1CCCCC1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022778785 507309709 /nfs/dbraw/zinc/30/97/09/507309709.db2.gz VRAJGUSQTNLABW-SFHVURJKSA-N 1 2 368.525 2.855 20 30 FFEDLO C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000022778785 507309715 /nfs/dbraw/zinc/30/97/15/507309715.db2.gz VRAJGUSQTNLABW-SFHVURJKSA-N 1 2 368.525 2.855 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022811851 507314143 /nfs/dbraw/zinc/31/41/43/507314143.db2.gz JAQPEIVWAIARFY-QGZVFWFLSA-N 1 2 373.460 2.575 20 30 FFEDLO COc1ccc([C@H]2CCCN2C(=O)C[NH+]2CCC(C#N)CC2)c(OC)c1 ZINC000057873807 507345821 /nfs/dbraw/zinc/34/58/21/507345821.db2.gz XUMNAEKEIVMROC-GOSISDBHSA-N 1 2 357.454 2.603 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1cc(Br)cs1 ZINC000047752057 507389063 /nfs/dbraw/zinc/38/90/63/507389063.db2.gz VXOQRGLKNSNGNU-AWEZNQCLSA-N 1 2 358.305 2.997 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000047752057 507389068 /nfs/dbraw/zinc/38/90/68/507389068.db2.gz VXOQRGLKNSNGNU-AWEZNQCLSA-N 1 2 358.305 2.997 20 30 FFEDLO N#Cc1ccc(CCC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000024616882 507424462 /nfs/dbraw/zinc/42/44/62/507424462.db2.gz ASILRHLASNEITJ-UHFFFAOYSA-N 1 2 363.461 2.639 20 30 FFEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000048041548 507439799 /nfs/dbraw/zinc/43/97/99/507439799.db2.gz ALQKLNBAIGLHGD-HZPDHXFCSA-N 1 2 358.461 2.609 20 30 FFEDLO COc1ccc(OC)c(C[NH+]2CCN(c3ncc(C#N)cc3Cl)CC2)c1 ZINC000060372158 507532217 /nfs/dbraw/zinc/53/22/17/507532217.db2.gz CGTWUWRYQNINJS-UHFFFAOYSA-N 1 2 372.856 2.946 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000026215338 507568826 /nfs/dbraw/zinc/56/88/26/507568826.db2.gz CYGIHESVOFOHFW-KRWDZBQOSA-N 1 2 374.444 2.929 20 30 FFEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000367130595 512351796 /nfs/dbraw/zinc/35/17/96/512351796.db2.gz ZCQRNFYDSAIJSB-FQEVSTJZSA-N 1 2 360.417 2.832 20 30 FFEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000367130595 512351802 /nfs/dbraw/zinc/35/18/02/512351802.db2.gz ZCQRNFYDSAIJSB-FQEVSTJZSA-N 1 2 360.417 2.832 20 30 FFEDLO N#Cc1ccc(CCC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000027674342 507676758 /nfs/dbraw/zinc/67/67/58/507676758.db2.gz FEHGVMXZFNGYHF-OAQYLSRUSA-N 1 2 363.461 2.508 20 30 FFEDLO N#Cc1ccc(CCC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000027674342 507676762 /nfs/dbraw/zinc/67/67/62/507676762.db2.gz FEHGVMXZFNGYHF-OAQYLSRUSA-N 1 2 363.461 2.508 20 30 FFEDLO Cc1cccc(N2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000028749034 507741102 /nfs/dbraw/zinc/74/11/02/507741102.db2.gz JMZIEONANQJZRO-NRFANRHFSA-N 1 2 360.461 2.794 20 30 FFEDLO COC(=O)C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000063522820 507742258 /nfs/dbraw/zinc/74/22/58/507742258.db2.gz TTWLJIWTKOWQGL-UHFFFAOYSA-N 1 2 351.406 2.562 20 30 FFEDLO COC(=O)C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000063522820 507742262 /nfs/dbraw/zinc/74/22/62/507742262.db2.gz TTWLJIWTKOWQGL-UHFFFAOYSA-N 1 2 351.406 2.562 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1ccc(C#N)cc1 ZINC000063753873 507768563 /nfs/dbraw/zinc/76/85/63/507768563.db2.gz AQSLKMGNRJBBEV-UHFFFAOYSA-N 1 2 358.829 2.694 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1ccc(C#N)cc1 ZINC000063753873 507768566 /nfs/dbraw/zinc/76/85/66/507768566.db2.gz AQSLKMGNRJBBEV-UHFFFAOYSA-N 1 2 358.829 2.694 20 30 FFEDLO Cc1cc(C)c(NC(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(C)c1 ZINC000029444131 507778398 /nfs/dbraw/zinc/77/83/98/507778398.db2.gz OZPBVNJLMLEPJV-UHFFFAOYSA-N 1 2 363.465 2.639 20 30 FFEDLO CC(C)C[C@@H](C)N(C)C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000051621505 507778742 /nfs/dbraw/zinc/77/87/42/507778742.db2.gz BSAPKMAVTRBGLY-GOSISDBHSA-N 1 2 356.514 2.569 20 30 FFEDLO CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000051621505 507778744 /nfs/dbraw/zinc/77/87/44/507778744.db2.gz BSAPKMAVTRBGLY-GOSISDBHSA-N 1 2 356.514 2.569 20 30 FFEDLO COc1ccccc1C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@@H]1CCCO1 ZINC000051799075 507785731 /nfs/dbraw/zinc/78/57/31/507785731.db2.gz NVKBZIIBYRKBPC-GHTZIAJQSA-N 1 2 373.497 2.731 20 30 FFEDLO COc1ccccc1C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@@H]1CCCO1 ZINC000051799075 507785734 /nfs/dbraw/zinc/78/57/34/507785734.db2.gz NVKBZIIBYRKBPC-GHTZIAJQSA-N 1 2 373.497 2.731 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000029777909 507790357 /nfs/dbraw/zinc/79/03/57/507790357.db2.gz JPMVORYIENEZFM-HNNXBMFYSA-N 1 2 355.463 2.731 20 30 FFEDLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029858547 507793637 /nfs/dbraw/zinc/79/36/37/507793637.db2.gz FBJZSFIOUWBMCI-MRXNPFEDSA-N 1 2 358.461 2.610 20 30 FFEDLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857004 507793996 /nfs/dbraw/zinc/79/39/96/507793996.db2.gz ZBPKUBZHPDEXNW-IXDOHACOSA-N 1 2 372.488 2.712 20 30 FFEDLO COc1ccccc1[C@@H](NC(=O)c1sccc1C#N)c1[nH+]ccn1C ZINC000052029438 507794468 /nfs/dbraw/zinc/79/44/68/507794468.db2.gz JVXBVLCEYIUALE-OAHLLOKOSA-N 1 2 352.419 2.881 20 30 FFEDLO N#CCOc1cccc(CC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000089759295 507862369 /nfs/dbraw/zinc/86/23/69/507862369.db2.gz RMTZRVRHKLNIME-UHFFFAOYSA-N 1 2 364.380 2.773 20 30 FFEDLO CN(C)c1cccc(C[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000089922763 507884401 /nfs/dbraw/zinc/88/44/01/507884401.db2.gz DFXWOYYQJSCRQD-UHFFFAOYSA-N 1 2 357.479 2.530 20 30 FFEDLO CN(C)c1cccc(C[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000089922763 507884402 /nfs/dbraw/zinc/88/44/02/507884402.db2.gz DFXWOYYQJSCRQD-UHFFFAOYSA-N 1 2 357.479 2.530 20 30 FFEDLO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078616097 507889815 /nfs/dbraw/zinc/88/98/15/507889815.db2.gz BBDGDAHSNGVVGU-XLIONFOSSA-N 1 2 354.498 2.706 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCN(c2ccccn2)CC1 ZINC000073603186 507936133 /nfs/dbraw/zinc/93/61/33/507936133.db2.gz DDPMQTZNGNELNX-QGZVFWFLSA-N 1 2 370.522 2.868 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(Cl)nc3)CC2)cc1 ZINC000079460279 507964267 /nfs/dbraw/zinc/96/42/67/507964267.db2.gz MHCCIDFPZPDLHH-UHFFFAOYSA-N 1 2 369.856 2.634 20 30 FFEDLO CC[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000109818045 507990053 /nfs/dbraw/zinc/99/00/53/507990053.db2.gz NDXBWVWRECEQHC-IBGZPJMESA-N 1 2 362.433 2.624 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000109818045 507990057 /nfs/dbraw/zinc/99/00/57/507990057.db2.gz NDXBWVWRECEQHC-IBGZPJMESA-N 1 2 362.433 2.624 20 30 FFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000091628907 507997905 /nfs/dbraw/zinc/99/79/05/507997905.db2.gz ZBAFCOAHBSUBRY-CYBMUJFWSA-N 1 2 355.373 2.884 20 30 FFEDLO CC[C@H](C)Oc1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000080170856 508046853 /nfs/dbraw/zinc/04/68/53/508046853.db2.gz OCLBUYDCASPDTF-KRWDZBQOSA-N 1 2 374.485 2.944 20 30 FFEDLO N#CCN1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000092936408 508109138 /nfs/dbraw/zinc/10/91/38/508109138.db2.gz PERSCVAKRHZNHX-UHFFFAOYSA-N 1 2 372.476 2.635 20 30 FFEDLO COC(=O)[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000093082868 508120026 /nfs/dbraw/zinc/12/00/26/508120026.db2.gz NJYGPONXLGNKGI-FQEVSTJZSA-N 1 2 366.417 2.511 20 30 FFEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000093082868 508120028 /nfs/dbraw/zinc/12/00/28/508120028.db2.gz NJYGPONXLGNKGI-FQEVSTJZSA-N 1 2 366.417 2.511 20 30 FFEDLO COC(=O)[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000093083131 508120058 /nfs/dbraw/zinc/12/00/58/508120058.db2.gz ZKXHJDYLIPAMFZ-FQEVSTJZSA-N 1 2 366.417 2.511 20 30 FFEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000093083131 508120060 /nfs/dbraw/zinc/12/00/60/508120060.db2.gz ZKXHJDYLIPAMFZ-FQEVSTJZSA-N 1 2 366.417 2.511 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+](CCC3CCCCC3)CC(N)=O)o2)c1 ZINC000075716987 508131007 /nfs/dbraw/zinc/13/10/07/508131007.db2.gz SYZHVUMURSWKFI-UHFFFAOYSA-N 1 2 367.453 2.866 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+](CCC3CCCCC3)CC(N)=O)o2)c1 ZINC000075716987 508131008 /nfs/dbraw/zinc/13/10/08/508131008.db2.gz SYZHVUMURSWKFI-UHFFFAOYSA-N 1 2 367.453 2.866 20 30 FFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)COc1ccc(C#N)cc1 ZINC000081090679 508135903 /nfs/dbraw/zinc/13/59/03/508135903.db2.gz UNBNFBKBNZRXJD-UHFFFAOYSA-N 1 2 360.417 2.840 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000375531952 512380182 /nfs/dbraw/zinc/38/01/82/512380182.db2.gz NWOCAOSVHFHDRI-HNNXBMFYSA-N 1 2 367.428 2.632 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000375531952 512380185 /nfs/dbraw/zinc/38/01/85/512380185.db2.gz NWOCAOSVHFHDRI-HNNXBMFYSA-N 1 2 367.428 2.632 20 30 FFEDLO N#Cc1ccccc1OCC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000081930215 508219169 /nfs/dbraw/zinc/21/91/69/508219169.db2.gz LCNAANMUGVLTLG-UHFFFAOYSA-N 1 2 360.417 2.693 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1ccc(Cl)s1 ZINC000076606418 508230567 /nfs/dbraw/zinc/23/05/67/508230567.db2.gz SIIFRFJDXMTNLN-UHFFFAOYSA-N 1 2 370.902 2.755 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1ccc(Cl)s1 ZINC000076606418 508230569 /nfs/dbraw/zinc/23/05/69/508230569.db2.gz SIIFRFJDXMTNLN-UHFFFAOYSA-N 1 2 370.902 2.755 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000077373939 508306907 /nfs/dbraw/zinc/30/69/07/508306907.db2.gz OXYCQARKRZXTQJ-UHFFFAOYSA-N 1 2 366.446 2.590 20 30 FFEDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000103481731 508314913 /nfs/dbraw/zinc/31/49/13/508314913.db2.gz SOLUJMHSDYUWKR-CQSZACIVSA-N 1 2 368.462 2.651 20 30 FFEDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000103481731 508314916 /nfs/dbraw/zinc/31/49/16/508314916.db2.gz SOLUJMHSDYUWKR-CQSZACIVSA-N 1 2 368.462 2.651 20 30 FFEDLO CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000088558298 508376182 /nfs/dbraw/zinc/37/61/82/508376182.db2.gz NKQVOFHMRBTBAS-HXUWFJFHSA-N 1 2 367.449 2.598 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000089153066 508389547 /nfs/dbraw/zinc/38/95/47/508389547.db2.gz PNNSOSRBJLEDRX-IHPCNDPISA-N 1 2 371.481 2.510 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000089153066 508389548 /nfs/dbraw/zinc/38/95/48/508389548.db2.gz PNNSOSRBJLEDRX-IHPCNDPISA-N 1 2 371.481 2.510 20 30 FFEDLO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115597273 508416064 /nfs/dbraw/zinc/41/60/64/508416064.db2.gz YNYOIXVGLHFKHD-AUUYWEPGSA-N 1 2 364.449 2.859 20 30 FFEDLO N#Cc1cc(F)c(C(=O)Nc2ccccc2C[NH+]2CCOCC2)c(F)c1 ZINC000127253987 508421967 /nfs/dbraw/zinc/42/19/67/508421967.db2.gz ZPTXILXPYZCAKF-UHFFFAOYSA-N 1 2 357.360 2.921 20 30 FFEDLO C[NH+](C)[C@@H](CNC(=O)NCc1cccc(C#N)c1)c1c(F)cccc1F ZINC000115795802 508438241 /nfs/dbraw/zinc/43/82/41/508438241.db2.gz GLODYGFNHZFWFR-KRWDZBQOSA-N 1 2 358.392 2.939 20 30 FFEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000116285896 508494603 /nfs/dbraw/zinc/49/46/03/508494603.db2.gz SDMKOXZRHZXXGV-UYAOXDASSA-N 1 2 350.418 2.988 20 30 FFEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000116285896 508494606 /nfs/dbraw/zinc/49/46/06/508494606.db2.gz SDMKOXZRHZXXGV-UYAOXDASSA-N 1 2 350.418 2.988 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c(C#N)c1C ZINC000128505755 508603093 /nfs/dbraw/zinc/60/30/93/508603093.db2.gz GSKMFJODSSZZEC-INIZCTEOSA-N 1 2 357.410 2.981 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c(C#N)c1C ZINC000128505755 508603098 /nfs/dbraw/zinc/60/30/98/508603098.db2.gz GSKMFJODSSZZEC-INIZCTEOSA-N 1 2 357.410 2.981 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC ZINC000117892487 508622310 /nfs/dbraw/zinc/62/23/10/508622310.db2.gz MINSOBSDAKQCCR-GOSISDBHSA-N 1 2 371.481 2.607 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC ZINC000117892487 508622314 /nfs/dbraw/zinc/62/23/14/508622314.db2.gz MINSOBSDAKQCCR-GOSISDBHSA-N 1 2 371.481 2.607 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCOC3(CCCC3)C2)cc1 ZINC000157979694 508640925 /nfs/dbraw/zinc/64/09/25/508640925.db2.gz VWQLWJUJYPLBPT-UHFFFAOYSA-N 1 2 371.481 2.977 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCOC3(CCCC3)C2)cc1 ZINC000157979694 508640929 /nfs/dbraw/zinc/64/09/29/508640929.db2.gz VWQLWJUJYPLBPT-UHFFFAOYSA-N 1 2 371.481 2.977 20 30 FFEDLO C[C@@H](c1ccc(C#N)cc1)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000118391590 508649325 /nfs/dbraw/zinc/64/93/25/508649325.db2.gz JYBGCZLWCVPIQN-SFHVURJKSA-N 1 2 354.498 2.639 20 30 FFEDLO Cc1cccc(C)c1NC(=O)[C@H](C)O[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158174194 508667241 /nfs/dbraw/zinc/66/72/41/508667241.db2.gz NLBLJAFRUVKWTG-AWEZNQCLSA-N 1 2 353.422 2.902 20 30 FFEDLO C[C@]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)(C(N)=O)c1ccccc1 ZINC000158289114 508683313 /nfs/dbraw/zinc/68/33/13/508683313.db2.gz ZHPVLOJRJQBZHT-GOSISDBHSA-N 1 2 362.351 2.927 20 30 FFEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000158300444 508685529 /nfs/dbraw/zinc/68/55/29/508685529.db2.gz PKRBJTUQGSGYLL-UHFFFAOYSA-N 1 2 373.453 2.640 20 30 FFEDLO N#Cc1cccc(CS(=O)(=O)NCCNc2ccc3ccccc3[nH+]2)c1 ZINC000123535291 508701794 /nfs/dbraw/zinc/70/17/94/508701794.db2.gz AHFDWNFMZDYTDI-UHFFFAOYSA-N 1 2 366.446 2.638 20 30 FFEDLO N#Cc1cc(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)ccc1OC(F)(F)F ZINC000377746039 512430559 /nfs/dbraw/zinc/43/05/59/512430559.db2.gz OZBNZRXTQRZMDL-LLVKDONJSA-N 1 2 365.315 2.859 20 30 FFEDLO N#Cc1cc(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)ccc1OC(F)(F)F ZINC000377746039 512430564 /nfs/dbraw/zinc/43/05/64/512430564.db2.gz OZBNZRXTQRZMDL-LLVKDONJSA-N 1 2 365.315 2.859 20 30 FFEDLO C[NH+](C)[C@H](CNC(=O)Cc1cccc(OCC#N)c1)c1c(F)cccc1F ZINC000120458591 509001181 /nfs/dbraw/zinc/00/11/81/509001181.db2.gz LQDUZRKFRPDBBK-GOSISDBHSA-N 1 2 373.403 2.829 20 30 FFEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(Cc3ccc(F)c(C#N)c3)CC2)C1 ZINC000120502503 509009360 /nfs/dbraw/zinc/00/93/60/509009360.db2.gz DXBBWJVWVODPES-QFBILLFUSA-N 1 2 372.488 2.510 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000125634840 509009451 /nfs/dbraw/zinc/00/94/51/509009451.db2.gz CKBAZKIRWNDRFL-LBPRGKRZSA-N 1 2 371.407 2.616 20 30 FFEDLO COc1ccccc1CN1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC000120825738 509071004 /nfs/dbraw/zinc/07/10/04/509071004.db2.gz WMXPXTYNBCCGTH-UHFFFAOYSA-N 1 2 351.450 2.893 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCc2ccsc2C1 ZINC000132918624 509091955 /nfs/dbraw/zinc/09/19/55/509091955.db2.gz PZYJKHOKMHFVDT-UHFFFAOYSA-N 1 2 363.446 2.802 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCc2ccsc2C1 ZINC000132918624 509091958 /nfs/dbraw/zinc/09/19/58/509091958.db2.gz PZYJKHOKMHFVDT-UHFFFAOYSA-N 1 2 363.446 2.802 20 30 FFEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N(C)[C@H](C)c2ccc(F)cc2)cs1 ZINC000121050963 509118039 /nfs/dbraw/zinc/11/80/39/509118039.db2.gz MTLGGGGJITZLOP-LLVKDONJSA-N 1 2 364.446 2.642 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)c1cccc(C)c1C#N ZINC000156192636 509142107 /nfs/dbraw/zinc/14/21/07/509142107.db2.gz LDBDCGIQUVIOTN-UHFFFAOYSA-N 1 2 368.462 2.893 20 30 FFEDLO N#CC1(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCCC1 ZINC000121219058 509151731 /nfs/dbraw/zinc/15/17/31/509151731.db2.gz IRJIPELKRVYIAO-UHFFFAOYSA-N 1 2 360.889 2.662 20 30 FFEDLO C=CCc1ccc(OCC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c(OC)c1 ZINC000121462563 509175199 /nfs/dbraw/zinc/17/51/99/509175199.db2.gz MOHWGXLBDPVVCW-SFHVURJKSA-N 1 2 368.433 2.877 20 30 FFEDLO Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000266791646 509196454 /nfs/dbraw/zinc/19/64/54/509196454.db2.gz BGASJZDWXCDBJW-FQEVSTJZSA-N 1 2 367.424 2.870 20 30 FFEDLO Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000266791646 509196461 /nfs/dbraw/zinc/19/64/61/509196461.db2.gz BGASJZDWXCDBJW-FQEVSTJZSA-N 1 2 367.424 2.870 20 30 FFEDLO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000191844139 509207733 /nfs/dbraw/zinc/20/77/33/509207733.db2.gz PVYOZOXPVAGHJY-HUBLWGQQSA-N 1 2 363.845 2.670 20 30 FFEDLO COC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000191844139 509207742 /nfs/dbraw/zinc/20/77/42/509207742.db2.gz PVYOZOXPVAGHJY-HUBLWGQQSA-N 1 2 363.845 2.670 20 30 FFEDLO N#Cc1c(F)cccc1OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000178995418 509216820 /nfs/dbraw/zinc/21/68/20/509216820.db2.gz KTPQDOZGSHQKIH-UHFFFAOYSA-N 1 2 369.396 2.547 20 30 FFEDLO C=CCSCCNC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000195730047 509219843 /nfs/dbraw/zinc/21/98/43/509219843.db2.gz KNSQOKBILKKPCA-UHFFFAOYSA-N 1 2 363.527 2.832 20 30 FFEDLO C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000216381108 509260023 /nfs/dbraw/zinc/26/00/23/509260023.db2.gz GMQWWZQATCSINJ-NQIIRXRSSA-N 1 2 368.525 2.954 20 30 FFEDLO C[N@H+](CC#Cc1ccccc1)CC(=O)Nc1ccc(Br)cn1 ZINC000191995905 509283370 /nfs/dbraw/zinc/28/33/70/509283370.db2.gz HWBZTBFFPYSJCI-UHFFFAOYSA-N 1 2 358.239 2.766 20 30 FFEDLO C[N@@H+](CC#Cc1ccccc1)CC(=O)Nc1ccc(Br)cn1 ZINC000191995905 509283374 /nfs/dbraw/zinc/28/33/74/509283374.db2.gz HWBZTBFFPYSJCI-UHFFFAOYSA-N 1 2 358.239 2.766 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2nnc3n2CCCCC3)CC1 ZINC000264031614 509291989 /nfs/dbraw/zinc/29/19/89/509291989.db2.gz HRONJRIHSHHKAO-UHFFFAOYSA-N 1 2 350.470 2.588 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2nnc3n2CCCCC3)CC1 ZINC000264031614 509291991 /nfs/dbraw/zinc/29/19/91/509291991.db2.gz HRONJRIHSHHKAO-UHFFFAOYSA-N 1 2 350.470 2.588 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1csc(Br)c1 ZINC000176264034 509409399 /nfs/dbraw/zinc/40/93/99/509409399.db2.gz ZELLEXDFUJHPDT-UHFFFAOYSA-N 1 2 358.305 2.558 20 30 FFEDLO C=CC[C@@H](CO)NC(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000185904698 509418410 /nfs/dbraw/zinc/41/84/10/509418410.db2.gz YDFCNIRBRGKYTD-KRWDZBQOSA-N 1 2 365.433 2.889 20 30 FFEDLO Cc1sc(NC(=O)CN2CC[NH+](Cc3ccco3)CC2)c(C#N)c1C ZINC000267343611 509456481 /nfs/dbraw/zinc/45/64/81/509456481.db2.gz FAWCBYCPOZUTFJ-UHFFFAOYSA-N 1 2 358.467 2.586 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000267559332 509540830 /nfs/dbraw/zinc/54/08/30/509540830.db2.gz JMVRZMCYHHYQTI-UHFFFAOYSA-N 1 2 350.831 2.503 20 30 FFEDLO CC(C)n1cc[nH+]c1CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000264549611 509593370 /nfs/dbraw/zinc/59/33/70/509593370.db2.gz ROJGTYZXAQBXSM-UHFFFAOYSA-N 1 2 366.425 2.906 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000249223202 509639139 /nfs/dbraw/zinc/63/91/39/509639139.db2.gz FXYRAAYNRKXPML-JSGCOSHPSA-N 1 2 358.467 2.834 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000249223202 509639143 /nfs/dbraw/zinc/63/91/43/509639143.db2.gz FXYRAAYNRKXPML-JSGCOSHPSA-N 1 2 358.467 2.834 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000264694209 509652193 /nfs/dbraw/zinc/65/21/93/509652193.db2.gz IFKYLFVFNUEZPY-GXTWGEPZSA-N 1 2 361.751 2.538 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000264694209 509652202 /nfs/dbraw/zinc/65/22/02/509652202.db2.gz IFKYLFVFNUEZPY-GXTWGEPZSA-N 1 2 361.751 2.538 20 30 FFEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000180063644 509733192 /nfs/dbraw/zinc/73/31/92/509733192.db2.gz HKRFHPCRGNSMDU-OAHLLOKOSA-N 1 2 351.410 2.727 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000264950213 509793210 /nfs/dbraw/zinc/79/32/10/509793210.db2.gz WPVCUAODPVZSCM-HNNXBMFYSA-N 1 2 372.469 2.828 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000264950213 509793216 /nfs/dbraw/zinc/79/32/16/509793216.db2.gz WPVCUAODPVZSCM-HNNXBMFYSA-N 1 2 372.469 2.828 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000268216754 509819633 /nfs/dbraw/zinc/81/96/33/509819633.db2.gz LKVJBQDDRITVLA-QGZVFWFLSA-N 1 2 367.474 2.973 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000268216754 509819639 /nfs/dbraw/zinc/81/96/39/509819639.db2.gz LKVJBQDDRITVLA-QGZVFWFLSA-N 1 2 367.474 2.973 20 30 FFEDLO CCSc1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000177033801 509828897 /nfs/dbraw/zinc/82/88/97/509828897.db2.gz NYOGQDMFWVAFTD-UHFFFAOYSA-N 1 2 362.499 2.878 20 30 FFEDLO N#CCCCCNC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000170902508 509842130 /nfs/dbraw/zinc/84/21/30/509842130.db2.gz FYGNDKIKDKRIQY-UHFFFAOYSA-N 1 2 352.438 2.967 20 30 FFEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177120261 509884118 /nfs/dbraw/zinc/88/41/18/509884118.db2.gz HWFJCWBAXVWRBT-QGZVFWFLSA-N 1 2 373.928 2.756 20 30 FFEDLO Cc1ncc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C(C)C)n1 ZINC000265261698 509952727 /nfs/dbraw/zinc/95/27/27/509952727.db2.gz KZGUPWWRTHEAGP-UHFFFAOYSA-N 1 2 363.465 2.738 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000177253690 509961490 /nfs/dbraw/zinc/96/14/90/509961490.db2.gz VPCPXBUUAHXMLA-UHFFFAOYSA-N 1 2 362.412 2.600 20 30 FFEDLO N#Cc1ccc(Cl)cc1NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000265579988 510125551 /nfs/dbraw/zinc/12/55/51/510125551.db2.gz WHTXHNULDIKEIX-UHFFFAOYSA-N 1 2 369.856 2.920 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)nc1 ZINC000174831969 510332306 /nfs/dbraw/zinc/33/23/06/510332306.db2.gz MRIJNGDTIKQYKP-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(-n2nc(C)cc2C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000171748530 510345779 /nfs/dbraw/zinc/34/57/79/510345779.db2.gz OXZUMUWTXBAZPO-LJQANCHMSA-N 1 2 359.495 2.664 20 30 FFEDLO C=CC[N@H+](Cc1ccc(-n2nc(C)cc2C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000171748530 510345788 /nfs/dbraw/zinc/34/57/88/510345788.db2.gz OXZUMUWTXBAZPO-LJQANCHMSA-N 1 2 359.495 2.664 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000178033144 510389710 /nfs/dbraw/zinc/38/97/10/510389710.db2.gz VVUVSYWPZSEPCL-UHFFFAOYSA-N 1 2 351.425 2.974 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000178033144 510389718 /nfs/dbraw/zinc/38/97/18/510389718.db2.gz VVUVSYWPZSEPCL-UHFFFAOYSA-N 1 2 351.425 2.974 20 30 FFEDLO COc1cccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)n1 ZINC000171826753 510394859 /nfs/dbraw/zinc/39/48/59/510394859.db2.gz GGLAEFFSCQDKIV-UHFFFAOYSA-N 1 2 359.433 2.832 20 30 FFEDLO C=CCSCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000194635862 510457563 /nfs/dbraw/zinc/45/75/63/510457563.db2.gz DIKNABLVLCAMHM-MRXNPFEDSA-N 1 2 360.483 2.737 20 30 FFEDLO C=CCNc1ncc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000178250934 510510271 /nfs/dbraw/zinc/51/02/71/510510271.db2.gz IFUBWUSXQSZDCB-UHFFFAOYSA-N 1 2 353.451 2.916 20 30 FFEDLO CC(C)N(C)c1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cn1 ZINC000191201446 510546105 /nfs/dbraw/zinc/54/61/05/510546105.db2.gz AYTCYUPBTSYXGD-UHFFFAOYSA-N 1 2 350.470 2.515 20 30 FFEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@@H]2C)nnc1-c1ccccc1OC ZINC000188248390 510668581 /nfs/dbraw/zinc/66/85/81/510668581.db2.gz NTTBPGBSFWOZMC-HNNXBMFYSA-N 1 2 374.510 2.953 20 30 FFEDLO C=CCn1c(SCC[N@H+]2CCOC[C@@H]2C)nnc1-c1ccccc1OC ZINC000188248390 510668585 /nfs/dbraw/zinc/66/85/85/510668585.db2.gz NTTBPGBSFWOZMC-HNNXBMFYSA-N 1 2 374.510 2.953 20 30 FFEDLO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CCS(C)(=O)=O ZINC000191477400 510681031 /nfs/dbraw/zinc/68/10/31/510681031.db2.gz OXZISDNWBBJCEA-UHFFFAOYSA-N 1 2 356.491 2.863 20 30 FFEDLO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CCS(C)(=O)=O ZINC000191477400 510681037 /nfs/dbraw/zinc/68/10/37/510681037.db2.gz OXZISDNWBBJCEA-UHFFFAOYSA-N 1 2 356.491 2.863 20 30 FFEDLO C[C@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](CO)O1 ZINC000191525639 510704322 /nfs/dbraw/zinc/70/43/22/510704322.db2.gz RFVPGTPJMKQLNH-HRAATJIYSA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](CO)O1 ZINC000191525639 510704329 /nfs/dbraw/zinc/70/43/29/510704329.db2.gz RFVPGTPJMKQLNH-HRAATJIYSA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000247219930 510853010 /nfs/dbraw/zinc/85/30/10/510853010.db2.gz YKNANYIYMRYVNT-HWRSSNJWSA-N 1 2 355.463 2.755 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000247219930 510853012 /nfs/dbraw/zinc/85/30/12/510853012.db2.gz YKNANYIYMRYVNT-HWRSSNJWSA-N 1 2 355.463 2.755 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1Cl ZINC000247289768 510855649 /nfs/dbraw/zinc/85/56/49/510855649.db2.gz UFMAJIVGOMQIBI-MOPGFXCFSA-N 1 2 369.852 2.922 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1Cl ZINC000247289768 510855650 /nfs/dbraw/zinc/85/56/50/510855650.db2.gz UFMAJIVGOMQIBI-MOPGFXCFSA-N 1 2 369.852 2.922 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000247376906 510859043 /nfs/dbraw/zinc/85/90/43/510859043.db2.gz PNNSOSRBJLEDRX-DFQSSKMNSA-N 1 2 371.481 2.510 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000247376906 510859044 /nfs/dbraw/zinc/85/90/44/510859044.db2.gz PNNSOSRBJLEDRX-DFQSSKMNSA-N 1 2 371.481 2.510 20 30 FFEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329908561 510874156 /nfs/dbraw/zinc/87/41/56/510874156.db2.gz LTYVYGQCRRBYKG-PJIJBLCYSA-N 1 2 368.424 2.732 20 30 FFEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329908561 510874158 /nfs/dbraw/zinc/87/41/58/510874158.db2.gz LTYVYGQCRRBYKG-PJIJBLCYSA-N 1 2 368.424 2.732 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2CCCCC2(C)C)cn1 ZINC000329909366 510875587 /nfs/dbraw/zinc/87/55/87/510875587.db2.gz MLWSDMHQKMGYCW-ULQDDVLXSA-N 1 2 365.497 2.805 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2CCCCC2(C)C)cn1 ZINC000329909366 510875591 /nfs/dbraw/zinc/87/55/91/510875591.db2.gz MLWSDMHQKMGYCW-ULQDDVLXSA-N 1 2 365.497 2.805 20 30 FFEDLO C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000329921095 510877347 /nfs/dbraw/zinc/87/73/47/510877347.db2.gz FLSGEQCTIPPCOC-WFASDCNBSA-N 1 2 363.412 2.664 20 30 FFEDLO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000329935341 510881591 /nfs/dbraw/zinc/88/15/91/510881591.db2.gz CMPSBRLGHPAMBO-HOCLYGCPSA-N 1 2 368.437 2.925 20 30 FFEDLO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000329951577 510885538 /nfs/dbraw/zinc/88/55/38/510885538.db2.gz MVRDYZVELNLFGP-DIECFANBSA-N 1 2 367.490 2.732 20 30 FFEDLO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000329951577 510885544 /nfs/dbraw/zinc/88/55/44/510885544.db2.gz MVRDYZVELNLFGP-DIECFANBSA-N 1 2 367.490 2.732 20 30 FFEDLO NC(=O)N1CCC[C@H]1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000329964537 510889089 /nfs/dbraw/zinc/88/90/89/510889089.db2.gz QRFCNXGGCQNGAG-INIZCTEOSA-N 1 2 373.457 2.653 20 30 FFEDLO CCN1CCN(C(=O)N[C@@H]2CCCOc3ccccc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000329974628 510891612 /nfs/dbraw/zinc/89/16/12/510891612.db2.gz XNRHPWFAIFGNTL-SJORKVTESA-N 1 2 369.469 2.916 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2cc3nccnc3cc2F)CCO1 ZINC000329980512 510892532 /nfs/dbraw/zinc/89/25/32/510892532.db2.gz LNEMTMOKFOJIMJ-DIFFPNOSSA-N 1 2 355.373 2.727 20 30 FFEDLO CCN1CCN(C(=O)NCCOC2CCCCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329985790 510893918 /nfs/dbraw/zinc/89/39/18/510893918.db2.gz DOXAQPQBXMVDKN-KRWDZBQOSA-N 1 2 363.506 2.742 20 30 FFEDLO CCN1CCN(C(=O)NCC2(C)Cc3ccccc3C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329984452 510893953 /nfs/dbraw/zinc/89/39/53/510893953.db2.gz CFXCCDJTSFEBJW-SFHVURJKSA-N 1 2 367.497 2.807 20 30 FFEDLO O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329993199 510895927 /nfs/dbraw/zinc/89/59/27/510895927.db2.gz LDXBUDKIIHXLKZ-SJORKVTESA-N 1 2 373.501 2.684 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+]([C@H](C(N)=O)c3ccc(F)cc3)CC2)c(F)c1 ZINC000285431551 510904517 /nfs/dbraw/zinc/90/45/17/510904517.db2.gz HKSPOGIAVIPDKD-IBGZPJMESA-N 1 2 371.387 2.906 20 30 FFEDLO C[C@]1(O)CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000330047328 510906059 /nfs/dbraw/zinc/90/60/59/510906059.db2.gz HNYPOWAUKVQAQS-QAPCUYQASA-N 1 2 369.868 2.987 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)n1 ZINC000293981531 510918293 /nfs/dbraw/zinc/91/82/93/510918293.db2.gz DVFGFZRDEZBDQR-JXFKEZNVSA-N 1 2 368.456 2.839 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)n1 ZINC000293981531 510918295 /nfs/dbraw/zinc/91/82/95/510918295.db2.gz DVFGFZRDEZBDQR-JXFKEZNVSA-N 1 2 368.456 2.839 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330130509 510921721 /nfs/dbraw/zinc/92/17/21/510921721.db2.gz PCQNNJXGEFJWHS-IIYDPXPESA-N 1 2 353.850 2.981 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330130509 510921725 /nfs/dbraw/zinc/92/17/25/510921725.db2.gz PCQNNJXGEFJWHS-IIYDPXPESA-N 1 2 353.850 2.981 20 30 FFEDLO Cc1cn2c(n1)[C@@H](CNC(=O)c1ccccc1C[NH+]1CCOCC1)CCC2 ZINC000330180705 510930958 /nfs/dbraw/zinc/93/09/58/510930958.db2.gz GDPVSQIWZVPQNK-QGZVFWFLSA-N 1 2 368.481 2.906 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000330280956 510956104 /nfs/dbraw/zinc/95/61/04/510956104.db2.gz TYFBSTJIUUETGN-JTDSTZFVSA-N 1 2 362.474 2.682 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCc3ccccc32)CCO1 ZINC000330319169 510963704 /nfs/dbraw/zinc/96/37/04/510963704.db2.gz CYXJULNSIWVQDS-FCEWJHQRSA-N 1 2 354.454 2.874 20 30 FFEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000330333331 510967282 /nfs/dbraw/zinc/96/72/82/510967282.db2.gz YHIABJPMGZDQDK-NXEZZACHSA-N 1 2 353.348 2.701 20 30 FFEDLO C[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@@]1=O ZINC000277649188 510968805 /nfs/dbraw/zinc/96/88/05/510968805.db2.gz OCTOGZJNDWSKFB-CPJLOUKISA-N 1 2 356.495 2.807 20 30 FFEDLO C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@@]1=O ZINC000277649188 510968812 /nfs/dbraw/zinc/96/88/12/510968812.db2.gz OCTOGZJNDWSKFB-CPJLOUKISA-N 1 2 356.495 2.807 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000297593252 511001214 /nfs/dbraw/zinc/00/12/14/511001214.db2.gz FNCHJIDRLRHQNJ-UHFFFAOYSA-N 1 2 358.486 2.642 20 30 FFEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000285923363 511016636 /nfs/dbraw/zinc/01/66/36/511016636.db2.gz LJRIGHAOTIIYPW-RDJZCZTQSA-N 1 2 368.399 2.732 20 30 FFEDLO CC[C@H](C)C[C@@H](C)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330898223 511027736 /nfs/dbraw/zinc/02/77/36/511027736.db2.gz UVNWHUMBNISBON-LSDHHAIUSA-N 1 2 361.490 2.620 20 30 FFEDLO CC(C)(C#N)CCC[NH+]1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000330973248 511034265 /nfs/dbraw/zinc/03/42/65/511034265.db2.gz KNQJQFRYCQYFAI-UHFFFAOYSA-N 1 2 371.453 2.601 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2ccnc(-c3ccc(Cl)cc3)n2)CC1 ZINC000287623197 511054482 /nfs/dbraw/zinc/05/44/82/511054482.db2.gz UMBHFWRATWPFFF-UHFFFAOYSA-N 1 2 354.841 2.578 20 30 FFEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000331482372 511065761 /nfs/dbraw/zinc/06/57/61/511065761.db2.gz GLWIDHPARFIHRH-FBBABVLZSA-N 1 2 371.481 2.592 20 30 FFEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000331482372 511065768 /nfs/dbraw/zinc/06/57/68/511065768.db2.gz GLWIDHPARFIHRH-FBBABVLZSA-N 1 2 371.481 2.592 20 30 FFEDLO C=CCC[C@H](NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000289346134 511098585 /nfs/dbraw/zinc/09/85/85/511098585.db2.gz KXOQSVLBLKPDCV-ROUUACIJSA-N 1 2 366.465 2.939 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)c1C#N ZINC000289448494 511102388 /nfs/dbraw/zinc/10/23/88/511102388.db2.gz KWBFKEFNNXYKHY-UHFFFAOYSA-N 1 2 353.451 2.548 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N[C@H](C)c2ccccc2OC)n1 ZINC000279726949 511191040 /nfs/dbraw/zinc/19/10/40/511191040.db2.gz MQKUYQRWGITLCW-IAGOWNOFSA-N 1 2 368.481 2.613 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N[C@H](C)c2ccccc2OC)n1 ZINC000279726949 511191043 /nfs/dbraw/zinc/19/10/43/511191043.db2.gz MQKUYQRWGITLCW-IAGOWNOFSA-N 1 2 368.481 2.613 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000279735533 511195166 /nfs/dbraw/zinc/19/51/66/511195166.db2.gz KBCDHJLXGRQCCA-WIRSXHRWSA-N 1 2 371.481 2.590 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000279735533 511195170 /nfs/dbraw/zinc/19/51/70/511195170.db2.gz KBCDHJLXGRQCCA-WIRSXHRWSA-N 1 2 371.481 2.590 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCOCC[C@H]2C)c1C#N ZINC000362474626 511200410 /nfs/dbraw/zinc/20/04/10/511200410.db2.gz SYOZAPZWMFXQTB-CQSZACIVSA-N 1 2 370.453 2.667 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCOCC[C@H]2C)c1C#N ZINC000362474626 511200414 /nfs/dbraw/zinc/20/04/14/511200414.db2.gz SYOZAPZWMFXQTB-CQSZACIVSA-N 1 2 370.453 2.667 20 30 FFEDLO C#CC[C@H]([NH2+]Cc1csc(N(CCOC)C(C)=O)n1)c1ccccc1 ZINC000271648328 511275035 /nfs/dbraw/zinc/27/50/35/511275035.db2.gz AQUYCRWCPZMFCS-SFHVURJKSA-N 1 2 357.479 2.997 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000279998263 511296333 /nfs/dbraw/zinc/29/63/33/511296333.db2.gz WJHAFSSMQNKNNC-NKGKWGDASA-N 1 2 350.409 2.807 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000279998263 511296337 /nfs/dbraw/zinc/29/63/37/511296337.db2.gz WJHAFSSMQNKNNC-NKGKWGDASA-N 1 2 350.409 2.807 20 30 FFEDLO CC(C)(CC#N)CS(=O)(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000295174522 511309434 /nfs/dbraw/zinc/30/94/34/511309434.db2.gz HGTUMJSPEFEQCK-UHFFFAOYSA-N 1 2 364.515 2.821 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000280224839 511383168 /nfs/dbraw/zinc/38/31/68/511383168.db2.gz ACFAEXLPGMJNHB-BXWFABGCSA-N 1 2 364.511 2.531 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000280224839 511383171 /nfs/dbraw/zinc/38/31/71/511383171.db2.gz ACFAEXLPGMJNHB-BXWFABGCSA-N 1 2 364.511 2.531 20 30 FFEDLO Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@H]3[C@H](C#N)c3ccccc3)sc2n1 ZINC000363285060 511462451 /nfs/dbraw/zinc/46/24/51/511462451.db2.gz BFMVYBFKBKNYSV-CVEARBPZSA-N 1 2 365.462 2.731 20 30 FFEDLO Cc1cc(=O)n2nc(C[N@H+]3CCC[C@H]3[C@H](C#N)c3ccccc3)sc2n1 ZINC000363285060 511462456 /nfs/dbraw/zinc/46/24/56/511462456.db2.gz BFMVYBFKBKNYSV-CVEARBPZSA-N 1 2 365.462 2.731 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(CCC#N)Cc1ccccn1 ZINC000280503377 511490341 /nfs/dbraw/zinc/49/03/41/511490341.db2.gz LEZMTAMIOSLHFL-UHFFFAOYSA-N 1 2 369.375 2.960 20 30 FFEDLO CCN(CC)C(=O)c1cccc(NC(=O)C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000272553575 511498838 /nfs/dbraw/zinc/49/88/38/511498838.db2.gz KZQQAEQUEDYEPS-UHFFFAOYSA-N 1 2 356.470 2.733 20 30 FFEDLO Cc1ccnc(OC2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000272875346 511510654 /nfs/dbraw/zinc/51/06/54/511510654.db2.gz BLJBMQITRJVWGG-UHFFFAOYSA-N 1 2 356.470 2.576 20 30 FFEDLO CCc1ccc([C@@H](COC)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000299138906 511528165 /nfs/dbraw/zinc/52/81/65/511528165.db2.gz WHUAWGODEVQORK-ZWKOTPCHSA-N 1 2 353.422 2.796 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@]2(CCOC2)O1 ZINC000280611982 511531779 /nfs/dbraw/zinc/53/17/79/511531779.db2.gz VZDZDPGNHLYXIC-IERDGZPVSA-N 1 2 367.449 2.617 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@]2(CCOC2)O1 ZINC000280611982 511531782 /nfs/dbraw/zinc/53/17/82/511531782.db2.gz VZDZDPGNHLYXIC-IERDGZPVSA-N 1 2 367.449 2.617 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000365626763 511566918 /nfs/dbraw/zinc/56/69/18/511566918.db2.gz JLRONAPIDIAMQL-CQSZACIVSA-N 1 2 357.845 2.763 20 30 FFEDLO C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365656402 511585799 /nfs/dbraw/zinc/58/57/99/511585799.db2.gz GXSBTOUYMSUDNC-AWEZNQCLSA-N 1 2 356.401 2.983 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1nnc(C)s1 ZINC000273757577 511598656 /nfs/dbraw/zinc/59/86/56/511598656.db2.gz XVGBQGZOHOBWCW-OLZOCXBDSA-N 1 2 373.482 2.841 20 30 FFEDLO CC(=O)c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000365766845 511643524 /nfs/dbraw/zinc/64/35/24/511643524.db2.gz AHJFGSNERTTYIB-UHFFFAOYSA-N 1 2 351.406 2.702 20 30 FFEDLO CC(=O)c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000365766845 511643528 /nfs/dbraw/zinc/64/35/28/511643528.db2.gz AHJFGSNERTTYIB-UHFFFAOYSA-N 1 2 351.406 2.702 20 30 FFEDLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000302762993 511714651 /nfs/dbraw/zinc/71/46/51/511714651.db2.gz RXTNOCXSIVFURO-FXAWDEMLSA-N 1 2 359.470 2.895 20 30 FFEDLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000302762993 511714654 /nfs/dbraw/zinc/71/46/54/511714654.db2.gz RXTNOCXSIVFURO-FXAWDEMLSA-N 1 2 359.470 2.895 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000303540094 511741816 /nfs/dbraw/zinc/74/18/16/511741816.db2.gz JJTXSOMTWZKXCB-SFHVURJKSA-N 1 2 355.463 2.544 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000303540094 511741819 /nfs/dbraw/zinc/74/18/19/511741819.db2.gz JJTXSOMTWZKXCB-SFHVURJKSA-N 1 2 355.463 2.544 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000303700401 511747896 /nfs/dbraw/zinc/74/78/96/511747896.db2.gz ODJZFLSQMMXSBV-HKUYNNGSSA-N 1 2 357.498 2.927 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000303700401 511747904 /nfs/dbraw/zinc/74/79/04/511747904.db2.gz ODJZFLSQMMXSBV-HKUYNNGSSA-N 1 2 357.498 2.927 20 30 FFEDLO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000296456307 511750517 /nfs/dbraw/zinc/75/05/17/511750517.db2.gz YSGWPALRAKTDRG-JYJNAYRXSA-N 1 2 362.499 2.503 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2csc(-c3ccc(O)c(OC)c3)n2)C1=O ZINC000281224528 511765800 /nfs/dbraw/zinc/76/58/00/511765800.db2.gz DZKGCKCZOCQGGS-OAHLLOKOSA-N 1 2 373.478 2.743 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2csc(-c3ccc(O)c(OC)c3)n2)C1=O ZINC000281224528 511765804 /nfs/dbraw/zinc/76/58/04/511765804.db2.gz DZKGCKCZOCQGGS-OAHLLOKOSA-N 1 2 373.478 2.743 20 30 FFEDLO C=CCCCS(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000292982304 511793898 /nfs/dbraw/zinc/79/38/98/511793898.db2.gz LXJWTWCZMXFEAO-UHFFFAOYSA-N 1 2 358.454 2.815 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2Cl)C1=O ZINC000281498465 511869028 /nfs/dbraw/zinc/86/90/28/511869028.db2.gz XWOLHYJIALSAGW-AWEZNQCLSA-N 1 2 356.253 2.651 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2Cl)C1=O ZINC000281498465 511869033 /nfs/dbraw/zinc/86/90/33/511869033.db2.gz XWOLHYJIALSAGW-AWEZNQCLSA-N 1 2 356.253 2.651 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000284827902 511887266 /nfs/dbraw/zinc/88/72/66/511887266.db2.gz QGCSYAYVLJSTIO-OAHLLOKOSA-N 1 2 369.490 2.928 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000284827902 511887270 /nfs/dbraw/zinc/88/72/70/511887270.db2.gz QGCSYAYVLJSTIO-OAHLLOKOSA-N 1 2 369.490 2.928 20 30 FFEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C(C)C ZINC000281657971 511922023 /nfs/dbraw/zinc/92/20/23/511922023.db2.gz YDZXCNQRHYAUKP-GOSISDBHSA-N 1 2 364.449 2.599 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)C(C)(C)S(=O)(=O)C1CC1)C2 ZINC000328821455 511936719 /nfs/dbraw/zinc/93/67/19/511936719.db2.gz QIQSOQRIZLYROP-LBPRGKRZSA-N 1 2 367.515 2.808 20 30 FFEDLO O=C(Nc1ccccc1)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000328915207 511950330 /nfs/dbraw/zinc/95/03/30/511950330.db2.gz JNDZPRXPKDSBOD-MRXNPFEDSA-N 1 2 352.438 2.972 20 30 FFEDLO CC1CC[NH+](Cc2csc(NC(=O)c3ccc4n[nH]c(=O)n4c3)n2)CC1 ZINC000328946014 511955227 /nfs/dbraw/zinc/95/52/27/511955227.db2.gz VGHLSJOQPYNRLE-UHFFFAOYSA-N 1 2 372.454 2.760 20 30 FFEDLO CN(C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)C1CCCCC1 ZINC000328987382 511961944 /nfs/dbraw/zinc/96/19/44/511961944.db2.gz RKJJOOCNELGXBC-VQIMIIECSA-N 1 2 373.501 2.793 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)CC[C@@H]2CCCCO2)CCC(=O)N1C1CC1 ZINC000328992206 511963753 /nfs/dbraw/zinc/96/37/53/511963753.db2.gz DKUYPOBKLQYJBP-RZQQEMMASA-N 1 2 374.485 2.920 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2c(c1)N(C)CC2)C1CCOCC1 ZINC000329043970 511973566 /nfs/dbraw/zinc/97/35/66/511973566.db2.gz IZPXWJXVZUITPG-GOSISDBHSA-N 1 2 354.454 2.885 20 30 FFEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000329078629 511979749 /nfs/dbraw/zinc/97/97/49/511979749.db2.gz QOVIIRRAFHMJKO-RBUKOAKNSA-N 1 2 374.916 2.779 20 30 FFEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000329078629 511979752 /nfs/dbraw/zinc/97/97/52/511979752.db2.gz QOVIIRRAFHMJKO-RBUKOAKNSA-N 1 2 374.916 2.779 20 30 FFEDLO C[C@H](CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)NC(=O)C1CCCCC1 ZINC000329109995 511984922 /nfs/dbraw/zinc/98/49/22/511984922.db2.gz JFDQFNIDMWMVPE-JFIYKMOQSA-N 1 2 365.518 2.623 20 30 FFEDLO C[C@H](NC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000329247666 512012156 /nfs/dbraw/zinc/01/21/56/512012156.db2.gz WHFLFWJEXYFEMV-IPELMVKDSA-N 1 2 370.453 2.727 20 30 FFEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000329261536 512016489 /nfs/dbraw/zinc/01/64/89/512016489.db2.gz DYIWYUNIWLHZSF-CABCVRRESA-N 1 2 371.489 2.819 20 30 FFEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000329261536 512016491 /nfs/dbraw/zinc/01/64/91/512016491.db2.gz DYIWYUNIWLHZSF-CABCVRRESA-N 1 2 371.489 2.819 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000281950041 512023061 /nfs/dbraw/zinc/02/30/61/512023061.db2.gz XBDSJHDJGBRWAC-MRXNPFEDSA-N 1 2 351.406 2.737 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)c3cc(C#N)ccc3Cl)c[nH+]2)CCO1 ZINC000285189869 512031792 /nfs/dbraw/zinc/03/17/92/512031792.db2.gz OAHAEMMDKWMFBJ-ZDUSSCGKSA-N 1 2 370.840 2.762 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc4c3OCO4)CC2)cc1 ZINC000329355016 512033321 /nfs/dbraw/zinc/03/33/21/512033321.db2.gz YTTKEEAGWWAKLP-UHFFFAOYSA-N 1 2 364.405 2.650 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2nc(C3CCOCC3)cs2)C1 ZINC000329435546 512045889 /nfs/dbraw/zinc/04/58/89/512045889.db2.gz LNQXGFFDIYFUHW-ZDUSSCGKSA-N 1 2 361.471 2.806 20 30 FFEDLO C[C@H]1C[C@H](C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CC(=O)N1 ZINC000329462093 512051288 /nfs/dbraw/zinc/05/12/88/512051288.db2.gz SRZJFHTUMHVOKJ-RYUDHWBXSA-N 1 2 357.414 2.743 20 30 FFEDLO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000329503888 512058955 /nfs/dbraw/zinc/05/89/55/512058955.db2.gz WLTCWJAMKAYFAJ-WMZOPIPTSA-N 1 2 365.518 2.625 20 30 FFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000329506462 512059366 /nfs/dbraw/zinc/05/93/66/512059366.db2.gz ZPJZLLHJEFANHC-NVXWUHKLSA-N 1 2 374.485 2.744 20 30 FFEDLO CCO[C@@H]1C[C@H](NC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@]12CCCO2 ZINC000329512189 512060318 /nfs/dbraw/zinc/06/03/18/512060318.db2.gz KWUJIPNCSZIVAA-UQZKUAJDSA-N 1 2 368.518 2.803 20 30 FFEDLO CCO[C@@H]1C[C@H](NC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@]12CCCO2 ZINC000329512189 512060322 /nfs/dbraw/zinc/06/03/22/512060322.db2.gz KWUJIPNCSZIVAA-UQZKUAJDSA-N 1 2 368.518 2.803 20 30 FFEDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1nc2c(s1)CCCC2(C)C ZINC000329565479 512070200 /nfs/dbraw/zinc/07/02/00/512070200.db2.gz KKJNIPGLNRHCBF-UHFFFAOYSA-N 1 2 352.504 2.567 20 30 FFEDLO Cc1cc(C)n(CC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c(=O)n1 ZINC000329602423 512074857 /nfs/dbraw/zinc/07/48/57/512074857.db2.gz FVBOLBDGWGDYQE-UHFFFAOYSA-N 1 2 369.469 2.792 20 30 FFEDLO Cc1ccc(Cl)cc1N1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329622589 512078674 /nfs/dbraw/zinc/07/86/74/512078674.db2.gz RUJNXWUXTFJWDI-HNNXBMFYSA-N 1 2 373.888 2.965 20 30 FFEDLO Cc1ccc(Cl)cc1N1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329622589 512078680 /nfs/dbraw/zinc/07/86/80/512078680.db2.gz RUJNXWUXTFJWDI-HNNXBMFYSA-N 1 2 373.888 2.965 20 30 FFEDLO C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H](C(C)(C)C)C3)cn2)CC1 ZINC000329671675 512084799 /nfs/dbraw/zinc/08/47/99/512084799.db2.gz UDTJWQLAJCQTKL-KRWDZBQOSA-N 1 2 359.518 2.615 20 30 FFEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)C2(C#N)CCOCC2)CC1 ZINC000366562430 512086380 /nfs/dbraw/zinc/08/63/80/512086380.db2.gz QKPHADAKAQKYNI-UHFFFAOYSA-N 1 2 352.438 2.829 20 30 FFEDLO C=CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000282139892 512086394 /nfs/dbraw/zinc/08/63/94/512086394.db2.gz BJFLBFARLJRRRO-UHFFFAOYSA-N 1 2 368.441 2.651 20 30 FFEDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329836733 512103012 /nfs/dbraw/zinc/10/30/12/512103012.db2.gz VFLYVEFWECNEJV-XYJFISCASA-N 1 2 358.486 2.891 20 30 FFEDLO CCN1CCN(C(=O)NCCc2cc(C)c(O)c(C)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329849572 512103845 /nfs/dbraw/zinc/10/38/45/512103845.db2.gz NUUZDFQDHAHKIQ-KRWDZBQOSA-N 1 2 371.485 2.567 20 30 FFEDLO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000329899960 512106048 /nfs/dbraw/zinc/10/60/48/512106048.db2.gz FVSSIWJYMOXQEE-YOEHRIQHSA-N 1 2 358.417 2.572 20 30 FFEDLO CCc1cc(=O)[nH]c(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000375753079 512487051 /nfs/dbraw/zinc/48/70/51/512487051.db2.gz HXFMZUPHMGKTFJ-UHFFFAOYSA-N 1 2 356.401 2.799 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000367586440 512571412 /nfs/dbraw/zinc/57/14/12/512571412.db2.gz PCHBPIQJHICVMO-QAPCUYQASA-N 1 2 352.400 2.852 20 30 FFEDLO C#CCCCS(=O)(=O)N1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000367775631 512657522 /nfs/dbraw/zinc/65/75/22/512657522.db2.gz JGDFDSUFMHBCMX-UHFFFAOYSA-N 1 2 359.495 2.979 20 30 FFEDLO CCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(C#N)cc2)[C@@H]1c1c[nH+]cn1C ZINC000376130362 512675336 /nfs/dbraw/zinc/67/53/36/512675336.db2.gz KJVKZFZGKPVKLH-VQIMIIECSA-N 1 2 365.437 2.620 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374290265 512749235 /nfs/dbraw/zinc/74/92/35/512749235.db2.gz AJTJTMJBTNEOOQ-KRWDZBQOSA-N 1 2 365.481 2.670 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000374294730 512750552 /nfs/dbraw/zinc/75/05/52/512750552.db2.gz SDHCANRKHPJNAS-UHFFFAOYSA-N 1 2 352.482 2.872 20 30 FFEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000376294599 512754587 /nfs/dbraw/zinc/75/45/87/512754587.db2.gz UGTMLKYUTPKWTR-FQEVSTJZSA-N 1 2 362.477 2.984 20 30 FFEDLO CCc1nc(C(C)(C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)no1 ZINC000411689546 512760432 /nfs/dbraw/zinc/76/04/32/512760432.db2.gz CQNVCAWVZVKRLE-UHFFFAOYSA-N 1 2 373.482 2.907 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000368058464 512784255 /nfs/dbraw/zinc/78/42/55/512784255.db2.gz FKFLODPTJPXHNE-NRFANRHFSA-N 1 2 359.429 2.858 20 30 FFEDLO C=C(C)CN(C)C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000368058074 512785064 /nfs/dbraw/zinc/78/50/64/512785064.db2.gz GRMVYNATGUCTDU-UHFFFAOYSA-N 1 2 350.422 2.575 20 30 FFEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368114026 512808107 /nfs/dbraw/zinc/80/81/07/512808107.db2.gz VCODUUAWGCCRRK-SFHVURJKSA-N 1 2 357.417 2.884 20 30 FFEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368114026 512808110 /nfs/dbraw/zinc/80/81/10/512808110.db2.gz VCODUUAWGCCRRK-SFHVURJKSA-N 1 2 357.417 2.884 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c(C#N)c1C ZINC000370206253 512821189 /nfs/dbraw/zinc/82/11/89/512821189.db2.gz LKIIPGYIPQRYAB-CQSZACIVSA-N 1 2 357.483 2.788 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c(C#N)c1C ZINC000370206253 512821193 /nfs/dbraw/zinc/82/11/93/512821193.db2.gz LKIIPGYIPQRYAB-CQSZACIVSA-N 1 2 357.483 2.788 20 30 FFEDLO Cc1noc(C2(C)CC[NH+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CC2)n1 ZINC000378568665 512827548 /nfs/dbraw/zinc/82/75/48/512827548.db2.gz OOMPUUVEBSXDBF-LBPRGKRZSA-N 1 2 371.441 2.840 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000378618572 512851590 /nfs/dbraw/zinc/85/15/90/512851590.db2.gz CZEWERBETDLLOB-PBHICJAKSA-N 1 2 362.355 2.869 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000378618572 512851597 /nfs/dbraw/zinc/85/15/97/512851597.db2.gz CZEWERBETDLLOB-PBHICJAKSA-N 1 2 362.355 2.869 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000370294433 512864229 /nfs/dbraw/zinc/86/42/29/512864229.db2.gz PAQDTGOABPWDLN-INIZCTEOSA-N 1 2 359.433 2.838 20 30 FFEDLO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000370295422 512864329 /nfs/dbraw/zinc/86/43/29/512864329.db2.gz WBTSGFNLFWDLEY-ROUUACIJSA-N 1 2 354.498 2.976 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)c(C#N)c1C ZINC000374523941 512873028 /nfs/dbraw/zinc/87/30/28/512873028.db2.gz XHPLAUCPKUQJMA-OAQYLSRUSA-N 1 2 367.449 2.733 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)c(C#N)c1C ZINC000374523941 512873032 /nfs/dbraw/zinc/87/30/32/512873032.db2.gz XHPLAUCPKUQJMA-OAQYLSRUSA-N 1 2 367.449 2.733 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000368460489 512959407 /nfs/dbraw/zinc/95/94/07/512959407.db2.gz DCRYZEMXBYLBPW-UHFFFAOYSA-N 1 2 368.485 2.538 20 30 FFEDLO N#CCOc1ccc(CC(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)cc1 ZINC000374869543 513047357 /nfs/dbraw/zinc/04/73/57/513047357.db2.gz SPBHOPYPUJLOFY-IBGZPJMESA-N 1 2 369.852 2.958 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@H](O)C[C@@H]2C)c1C#N ZINC000429141857 513288791 /nfs/dbraw/zinc/28/87/91/513288791.db2.gz LXMYEZQXPCIAPZ-GUYCJALGSA-N 1 2 358.486 2.875 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@H](O)C[C@@H]2C)c1C#N ZINC000429141857 513288799 /nfs/dbraw/zinc/28/87/99/513288799.db2.gz LXMYEZQXPCIAPZ-GUYCJALGSA-N 1 2 358.486 2.875 20 30 FFEDLO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCc3cc(C)[nH+]c(C)c3)C2)n1 ZINC000421577492 513315916 /nfs/dbraw/zinc/31/59/16/513315916.db2.gz PDTMQGLJNCBRNC-LJQANCHMSA-N 1 2 363.465 2.806 20 30 FFEDLO C[C@H](C(=O)N1CCCC(C)(C)[C@H]1C#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000434449173 513326254 /nfs/dbraw/zinc/32/62/54/513326254.db2.gz BGSGJSYYAJFZAH-VQIMIIECSA-N 1 2 372.488 2.877 20 30 FFEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2ncc(C#N)cc2Cl)C1 ZINC000440650504 513371887 /nfs/dbraw/zinc/37/18/87/513371887.db2.gz SWCIGPWJAAQLDQ-KRWDZBQOSA-N 1 2 350.850 2.507 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2C#N)CC1 ZINC000413099316 513445270 /nfs/dbraw/zinc/44/52/70/513445270.db2.gz TXJSKPFJSOHYDX-UHFFFAOYSA-N 1 2 355.398 2.702 20 30 FFEDLO Cc1cc(CNC(=O)CCCC(=O)Nc2ccccc2C#N)cc(C)[nH+]1 ZINC000421903136 513468540 /nfs/dbraw/zinc/46/85/40/513468540.db2.gz ACFCNKLZYXFXMB-UHFFFAOYSA-N 1 2 350.422 2.995 20 30 FFEDLO Cc1cc(NC[C@@H](CO)Cc2ccccc2Br)c(C#N)c[nH+]1 ZINC000425262068 513480698 /nfs/dbraw/zinc/48/06/98/513480698.db2.gz QTJOHCODWUGQLL-ZDUSSCGKSA-N 1 2 360.255 2.709 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)CC1(C#N)CCCC1 ZINC000430012518 513528037 /nfs/dbraw/zinc/52/80/37/513528037.db2.gz QUFHMMUCGHPJJC-HNNXBMFYSA-N 1 2 350.488 2.844 20 30 FFEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000441335380 513542889 /nfs/dbraw/zinc/54/28/89/513542889.db2.gz YHDUFHXZMGDIIW-HXUWFJFHSA-N 1 2 372.469 2.680 20 30 FFEDLO C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@H]1C(=O)OC(C)(C)C ZINC000425519393 513617397 /nfs/dbraw/zinc/61/73/97/513617397.db2.gz GGYDZKIRKZAHQB-HNAYVOBHSA-N 1 2 371.481 2.617 20 30 FFEDLO C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)[C@H]1C(=O)OC(C)(C)C ZINC000425519393 513617404 /nfs/dbraw/zinc/61/74/04/513617404.db2.gz GGYDZKIRKZAHQB-HNAYVOBHSA-N 1 2 371.481 2.617 20 30 FFEDLO C=CCN1C(=O)N(Cc2ccc(N(C)C)[nH+]c2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430863127 513768668 /nfs/dbraw/zinc/76/86/68/513768668.db2.gz QBPJCGRMKLTYTC-SFHVURJKSA-N 1 2 364.449 2.709 20 30 FFEDLO N#Cc1cccc(C(=O)N2CC[NH+](Cc3ccco3)CC2)c1Br ZINC000448619017 513813840 /nfs/dbraw/zinc/81/38/40/513813840.db2.gz SSSKCYRMVDSCTP-UHFFFAOYSA-N 1 2 374.238 2.872 20 30 FFEDLO Cc1ccn2cc(CNS(=O)(=O)c3ccc(Cl)cc3C#N)[nH+]c2c1 ZINC000443007430 513840741 /nfs/dbraw/zinc/84/07/41/513840741.db2.gz ODTPPQWMBVPFHH-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO C=CCC[C@@H]1NC(=O)N([C@H](CC)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000419940906 513974688 /nfs/dbraw/zinc/97/46/88/513974688.db2.gz VOMAAKXFORMENA-OTWHNJEPSA-N 1 2 371.481 2.553 20 30 FFEDLO C=CCC[C@@H]1NC(=O)N([C@H](CC)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000419940906 513974692 /nfs/dbraw/zinc/97/46/92/513974692.db2.gz VOMAAKXFORMENA-OTWHNJEPSA-N 1 2 371.481 2.553 20 30 FFEDLO N#Cc1nc(NCCNc2ccc3ccccc3[nH+]2)ccc1C(F)(F)F ZINC000443513123 513984161 /nfs/dbraw/zinc/98/41/61/513984161.db2.gz AGNJGBFVGFCATA-UHFFFAOYSA-N 1 2 357.339 2.888 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nc(-c2ccccc2)ccc1C#N ZINC000414160602 513994101 /nfs/dbraw/zinc/99/41/01/513994101.db2.gz ZSJFZVFUXMZDQW-QGZVFWFLSA-N 1 2 352.463 2.919 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nc(-c2ccccc2)ccc1C#N ZINC000414160602 513994106 /nfs/dbraw/zinc/99/41/06/513994106.db2.gz ZSJFZVFUXMZDQW-QGZVFWFLSA-N 1 2 352.463 2.919 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443639775 514010979 /nfs/dbraw/zinc/01/09/79/514010979.db2.gz LOQLZSROFDNKRJ-UONOGXRCSA-N 1 2 365.861 2.584 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443639775 514010985 /nfs/dbraw/zinc/01/09/85/514010985.db2.gz LOQLZSROFDNKRJ-UONOGXRCSA-N 1 2 365.861 2.584 20 30 FFEDLO Cc1cc(O)c(C(C)C)cc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000436863006 514012858 /nfs/dbraw/zinc/01/28/58/514012858.db2.gz HUDZLSBSYCZKMU-UHFFFAOYSA-N 1 2 359.470 2.512 20 30 FFEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000444231919 514162624 /nfs/dbraw/zinc/16/26/24/514162624.db2.gz KXOGASRNHFUFAV-UHFFFAOYSA-N 1 2 353.470 2.750 20 30 FFEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000444231919 514162636 /nfs/dbraw/zinc/16/26/36/514162636.db2.gz KXOGASRNHFUFAV-UHFFFAOYSA-N 1 2 353.470 2.750 20 30 FFEDLO N#CCCN(C(=O)CCC(=O)Nc1c[nH+]c2n1CCCC2)c1ccccc1 ZINC000452331204 514288589 /nfs/dbraw/zinc/28/85/89/514288589.db2.gz CODHJXRZLQESPP-UHFFFAOYSA-N 1 2 365.437 2.885 20 30 FFEDLO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444772626 514326900 /nfs/dbraw/zinc/32/69/00/514326900.db2.gz WRPLNOUIEZWSRJ-MRXNPFEDSA-N 1 2 374.916 2.981 20 30 FFEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)s1 ZINC000420887883 514353970 /nfs/dbraw/zinc/35/39/70/514353970.db2.gz MBHICDIMVCIPJS-UHFFFAOYSA-N 1 2 358.442 2.786 20 30 FFEDLO Cc1cc2cc[nH]c2cc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000444981085 514382427 /nfs/dbraw/zinc/38/24/27/514382427.db2.gz FAKGHAGWYREVOL-UHFFFAOYSA-N 1 2 355.442 2.556 20 30 FFEDLO C=CCn1cc(C[NH2+]Cc2ccc(OC)cc2OCc2cccnc2)nn1 ZINC000424169565 514404849 /nfs/dbraw/zinc/40/48/49/514404849.db2.gz IKOLMLPZCQLQTP-UHFFFAOYSA-N 1 2 365.437 2.737 20 30 FFEDLO C=CCn1cc(C[NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)nn1 ZINC000424173464 514407099 /nfs/dbraw/zinc/40/70/99/514407099.db2.gz PYCUDNHTDOYABH-UHFFFAOYSA-N 1 2 365.437 2.737 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@H+]2CCSC[C@H]2CCO)c2ccccc21 ZINC000438651779 514420861 /nfs/dbraw/zinc/42/08/61/514420861.db2.gz NGYDMVUHIIOAOX-OAHLLOKOSA-N 1 2 357.479 2.537 20 30 FFEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCSC[C@H]2CCO)c2ccccc21 ZINC000438651779 514420866 /nfs/dbraw/zinc/42/08/66/514420866.db2.gz NGYDMVUHIIOAOX-OAHLLOKOSA-N 1 2 357.479 2.537 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@@H](O)CC[C@H]2C)c1C#N ZINC000421028813 514446720 /nfs/dbraw/zinc/44/67/20/514446720.db2.gz WSSHGILVSMEHNQ-DYVFJYSZSA-N 1 2 358.486 2.875 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@@H](O)CC[C@H]2C)c1C#N ZINC000421028813 514446725 /nfs/dbraw/zinc/44/67/25/514446725.db2.gz WSSHGILVSMEHNQ-DYVFJYSZSA-N 1 2 358.486 2.875 20 30 FFEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000465942847 514525386 /nfs/dbraw/zinc/52/53/86/514525386.db2.gz NNMCHYWKFYGJEF-MOPGFXCFSA-N 1 2 370.497 2.579 20 30 FFEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000465942847 514525398 /nfs/dbraw/zinc/52/53/98/514525398.db2.gz NNMCHYWKFYGJEF-MOPGFXCFSA-N 1 2 370.497 2.579 20 30 FFEDLO Cc1cc(C)c(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c[nH+]1 ZINC000455567774 514599337 /nfs/dbraw/zinc/59/93/37/514599337.db2.gz ZPEPCWFRXWWGFM-UHFFFAOYSA-N 1 2 367.428 2.741 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2cc(OC)ccc2F)CC1 ZINC000484304880 514624828 /nfs/dbraw/zinc/62/48/28/514624828.db2.gz HHSMBMVUUAVAJI-MRXNPFEDSA-N 1 2 363.477 2.769 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)NC(=O)NCc3ccccc3)CC2)cc1 ZINC000502510306 514676234 /nfs/dbraw/zinc/67/62/34/514676234.db2.gz ZZKMSERPKJSZTM-UHFFFAOYSA-N 1 2 374.444 2.673 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NC(=O)NCc3ccccc3)CC2)cc1 ZINC000502510306 514676244 /nfs/dbraw/zinc/67/62/44/514676244.db2.gz ZZKMSERPKJSZTM-UHFFFAOYSA-N 1 2 374.444 2.673 20 30 FFEDLO Cc1nc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)sc1SCC#N ZINC000489053938 514688258 /nfs/dbraw/zinc/68/82/58/514688258.db2.gz OLLBNEIHFNDODW-UHFFFAOYSA-N 1 2 356.436 2.900 20 30 FFEDLO C[C@H]1OCC[C@@]12C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCO2 ZINC000470958950 514693359 /nfs/dbraw/zinc/69/33/59/514693359.db2.gz GGWHWUZYLWAXFF-RHSMWYFYSA-N 1 2 355.356 2.817 20 30 FFEDLO C[C@H]1OCC[C@@]12C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCO2 ZINC000470958950 514693366 /nfs/dbraw/zinc/69/33/66/514693366.db2.gz GGWHWUZYLWAXFF-RHSMWYFYSA-N 1 2 355.356 2.817 20 30 FFEDLO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000502771094 514770166 /nfs/dbraw/zinc/77/01/66/514770166.db2.gz URRKNACNRGCONE-UHFFFAOYSA-N 1 2 355.442 2.639 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000471148333 514770760 /nfs/dbraw/zinc/77/07/60/514770760.db2.gz LQESAQOWIHPTOP-HXUWFJFHSA-N 1 2 373.460 2.760 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(Oc2ccccn2)CC1 ZINC000471155459 514774655 /nfs/dbraw/zinc/77/46/55/514774655.db2.gz FAGZVODECSIFLV-HNNXBMFYSA-N 1 2 350.422 2.824 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000502828381 514796779 /nfs/dbraw/zinc/79/67/79/514796779.db2.gz QEBXAPHGWWFIGH-LJQANCHMSA-N 1 2 367.453 2.892 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000502828381 514796787 /nfs/dbraw/zinc/79/67/87/514796787.db2.gz QEBXAPHGWWFIGH-LJQANCHMSA-N 1 2 367.453 2.892 20 30 FFEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)Nc2cccc(CC#N)c2)C1 ZINC000455906330 514825308 /nfs/dbraw/zinc/82/53/08/514825308.db2.gz NFXYIMXMKCFWNW-FQEVSTJZSA-N 1 2 372.469 2.680 20 30 FFEDLO C=CC[N@@H+](Cc1nc([C@@H](C)OC)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000475879680 514841369 /nfs/dbraw/zinc/84/13/69/514841369.db2.gz JBMBVHRIFFPXGV-ZIAGYGMSSA-N 1 2 369.429 2.502 20 30 FFEDLO C=CC[N@H+](Cc1nc([C@@H](C)OC)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000475879680 514841378 /nfs/dbraw/zinc/84/13/78/514841378.db2.gz JBMBVHRIFFPXGV-ZIAGYGMSSA-N 1 2 369.429 2.502 20 30 FFEDLO C=CCc1cc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)cc(OC)c1O ZINC000503043275 514893670 /nfs/dbraw/zinc/89/36/70/514893670.db2.gz RCZGOLJVINYXHN-MRXNPFEDSA-N 1 2 353.484 2.528 20 30 FFEDLO C=CCc1cc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)CC2)cc(OC)c1O ZINC000503043275 514893675 /nfs/dbraw/zinc/89/36/75/514893675.db2.gz RCZGOLJVINYXHN-MRXNPFEDSA-N 1 2 353.484 2.528 20 30 FFEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000503080118 514910664 /nfs/dbraw/zinc/91/06/64/514910664.db2.gz DOUNTLGEJSNGLP-FQEVSTJZSA-N 1 2 368.437 2.750 20 30 FFEDLO N#CCC[N@@H+](CCC(=O)N1CCOc2ccccc21)Cc1ccccn1 ZINC000503096903 514917039 /nfs/dbraw/zinc/91/70/39/514917039.db2.gz KFEYZOMEGLIJNB-UHFFFAOYSA-N 1 2 350.422 2.613 20 30 FFEDLO N#CCC[N@H+](CCC(=O)N1CCOc2ccccc21)Cc1ccccn1 ZINC000503096903 514917047 /nfs/dbraw/zinc/91/70/47/514917047.db2.gz KFEYZOMEGLIJNB-UHFFFAOYSA-N 1 2 350.422 2.613 20 30 FFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000467304287 514973442 /nfs/dbraw/zinc/97/34/42/514973442.db2.gz KVMGNBWFXBKXQW-BJJXKVORSA-N 1 2 350.365 2.933 20 30 FFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000467304287 514973449 /nfs/dbraw/zinc/97/34/49/514973449.db2.gz KVMGNBWFXBKXQW-BJJXKVORSA-N 1 2 350.365 2.933 20 30 FFEDLO COCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccnn1C ZINC000489876509 515009771 /nfs/dbraw/zinc/00/97/71/515009771.db2.gz CPOJWPZKVVVYBX-UHFFFAOYSA-N 1 2 351.372 2.939 20 30 FFEDLO COCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccnn1C ZINC000489876509 515009777 /nfs/dbraw/zinc/00/97/77/515009777.db2.gz CPOJWPZKVVVYBX-UHFFFAOYSA-N 1 2 351.372 2.939 20 30 FFEDLO N#CCCCn1cc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c2ccccc21 ZINC000456203955 515021983 /nfs/dbraw/zinc/02/19/83/515021983.db2.gz LSCQYUJZRHKDSQ-CALCHBBNSA-N 1 2 366.465 2.538 20 30 FFEDLO N#CCCCn1cc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c2ccccc21 ZINC000456203955 515021991 /nfs/dbraw/zinc/02/19/91/515021991.db2.gz LSCQYUJZRHKDSQ-CALCHBBNSA-N 1 2 366.465 2.538 20 30 FFEDLO C=CC1CCN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)CC1 ZINC000476508637 515077343 /nfs/dbraw/zinc/07/73/43/515077343.db2.gz JGEDBMRSOSFHIL-HXUWFJFHSA-N 1 2 357.498 2.976 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc4c(c3)OC(F)(F)O4)CC2)c1 ZINC000509260310 515096394 /nfs/dbraw/zinc/09/63/94/515096394.db2.gz NRYBBANCAVRWDS-UHFFFAOYSA-N 1 2 358.348 2.597 20 30 FFEDLO CC(C)(C)c1ccc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000481211051 515246880 /nfs/dbraw/zinc/24/68/80/515246880.db2.gz ADNROQHEOSSUSN-UHFFFAOYSA-N 1 2 357.498 2.601 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000481232909 515255019 /nfs/dbraw/zinc/25/50/19/515255019.db2.gz SUTHHKPGJCHURV-QGZVFWFLSA-N 1 2 350.466 2.820 20 30 FFEDLO CCc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1Cl ZINC000490787645 515304801 /nfs/dbraw/zinc/30/48/01/515304801.db2.gz AMVPBMXFNFZHQE-UHFFFAOYSA-N 1 2 364.877 2.982 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000481363590 515305348 /nfs/dbraw/zinc/30/53/48/515305348.db2.gz XXUMNLWXKFUGSO-APWZRJJASA-N 1 2 359.470 2.687 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000481363590 515305356 /nfs/dbraw/zinc/30/53/56/515305356.db2.gz XXUMNLWXKFUGSO-APWZRJJASA-N 1 2 359.470 2.687 20 30 FFEDLO C=CC[C@H](C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)c1ccccc1 ZINC000472667059 515358557 /nfs/dbraw/zinc/35/85/57/515358557.db2.gz DVVRNPPRLHVTLX-UFYCRDLUSA-N 1 2 370.472 2.809 20 30 FFEDLO C=CC[C@H](C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)c1ccccc1 ZINC000472667059 515358565 /nfs/dbraw/zinc/35/85/65/515358565.db2.gz DVVRNPPRLHVTLX-UFYCRDLUSA-N 1 2 370.472 2.809 20 30 FFEDLO Cc1[nH+]c2cc(NC(=O)COc3ccc(C#N)cc3)ccc2n1[C@@H](C)CO ZINC000456700107 515364624 /nfs/dbraw/zinc/36/46/24/515364624.db2.gz FHVBMYKJHXEKNM-ZDUSSCGKSA-N 1 2 364.405 2.787 20 30 FFEDLO CC(C)n1cc(C#N)c(=NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)[nH]1 ZINC000486195920 515376954 /nfs/dbraw/zinc/37/69/54/515376954.db2.gz PXLIUJUDWSXFGN-UHFFFAOYSA-N 1 2 371.351 2.528 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481584743 515391036 /nfs/dbraw/zinc/39/10/36/515391036.db2.gz CYFXFXFTMHKKIY-UHFFFAOYSA-N 1 2 373.453 2.767 20 30 FFEDLO C[C@](O)(C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)C(F)(F)F ZINC000499776731 515450720 /nfs/dbraw/zinc/45/07/20/515450720.db2.gz XEPFSOUJLVIYIB-CABCVRRESA-N 1 2 361.795 2.836 20 30 FFEDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459327780 515473347 /nfs/dbraw/zinc/47/33/47/515473347.db2.gz PMPPSHPEJBICIS-ZBFHGGJFSA-N 1 2 358.442 2.983 20 30 FFEDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459327780 515473362 /nfs/dbraw/zinc/47/33/62/515473362.db2.gz PMPPSHPEJBICIS-ZBFHGGJFSA-N 1 2 358.442 2.983 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000468766889 515511116 /nfs/dbraw/zinc/51/11/16/515511116.db2.gz AYYPLTGZAXCBIF-HZPDHXFCSA-N 1 2 374.916 2.970 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cncc(OCc3ccccc3)c2)C1=O ZINC000499995650 515552419 /nfs/dbraw/zinc/55/24/19/515552419.db2.gz KKTJVJGYDGHILU-FQEVSTJZSA-N 1 2 351.450 2.879 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cncc(OCc3ccccc3)c2)C1=O ZINC000499995650 515552429 /nfs/dbraw/zinc/55/24/29/515552429.db2.gz KKTJVJGYDGHILU-FQEVSTJZSA-N 1 2 351.450 2.879 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](CC)c2ccc(Cl)cc2)C1=O ZINC000500022922 515562023 /nfs/dbraw/zinc/56/20/23/515562023.db2.gz FVMKFZMRLWJDND-DLBZAZTESA-N 1 2 363.889 2.626 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](CC)c2ccc(Cl)cc2)C1=O ZINC000500022922 515562035 /nfs/dbraw/zinc/56/20/35/515562035.db2.gz FVMKFZMRLWJDND-DLBZAZTESA-N 1 2 363.889 2.626 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1=O ZINC000500024191 515562220 /nfs/dbraw/zinc/56/22/20/515562220.db2.gz KTZREZUGXKXUHM-DOMZBBRYSA-N 1 2 369.387 2.751 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1=O ZINC000500024191 515562231 /nfs/dbraw/zinc/56/22/31/515562231.db2.gz KTZREZUGXKXUHM-DOMZBBRYSA-N 1 2 369.387 2.751 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000469014128 515629942 /nfs/dbraw/zinc/62/99/42/515629942.db2.gz REFLEVAGSVXOMP-GFCCVEGCSA-N 1 2 355.360 2.968 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000469014128 515629948 /nfs/dbraw/zinc/62/99/48/515629948.db2.gz REFLEVAGSVXOMP-GFCCVEGCSA-N 1 2 355.360 2.968 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](CCOC)Cc2c(C)nn(C)c2C)c1C ZINC000459559276 515647493 /nfs/dbraw/zinc/64/74/93/515647493.db2.gz BGHUCNNJCZKKDJ-UHFFFAOYSA-N 1 2 372.513 2.973 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@H+](CCOC)Cc2c(C)nn(C)c2C)c1C ZINC000459559276 515647506 /nfs/dbraw/zinc/64/75/06/515647506.db2.gz BGHUCNNJCZKKDJ-UHFFFAOYSA-N 1 2 372.513 2.973 20 30 FFEDLO C=CCC[C@H](NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000500299846 515659456 /nfs/dbraw/zinc/65/94/56/515659456.db2.gz CSPSFCLVTWLSMH-SFHVURJKSA-N 1 2 362.433 2.774 20 30 FFEDLO N#Cc1ccncc1C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000486905709 515679911 /nfs/dbraw/zinc/67/99/11/515679911.db2.gz MZERURVZGWQNHY-UHFFFAOYSA-N 1 2 357.417 2.591 20 30 FFEDLO CCN(CC)c1ccc(CNC(=O)NCC#Cc2cccc(F)c2)c[nH+]1 ZINC000510844959 515685855 /nfs/dbraw/zinc/68/58/55/515685855.db2.gz TZCNQVICHBSKKU-UHFFFAOYSA-N 1 2 354.429 2.918 20 30 FFEDLO C[C@@H](C(=O)N[C@@H](C#N)C1CCCCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000482488251 515692619 /nfs/dbraw/zinc/69/26/19/515692619.db2.gz ZEIVKQYTLIBNKR-JXFKEZNVSA-N 1 2 372.488 2.925 20 30 FFEDLO COC(=O)[C@H](C)Oc1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000459612707 515694537 /nfs/dbraw/zinc/69/45/37/515694537.db2.gz MLTDJJQQGMXANI-HNNXBMFYSA-N 1 2 366.417 2.762 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1csc(Br)c1 ZINC000469193835 515714249 /nfs/dbraw/zinc/71/42/49/515714249.db2.gz UEJUGCGNHKEMQE-SNVBAGLBSA-N 1 2 356.289 2.893 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1csc(Br)c1 ZINC000469193835 515714259 /nfs/dbraw/zinc/71/42/59/515714259.db2.gz UEJUGCGNHKEMQE-SNVBAGLBSA-N 1 2 356.289 2.893 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000510972784 515733347 /nfs/dbraw/zinc/73/33/47/515733347.db2.gz ZQFIOFXQCPDTAD-OAHLLOKOSA-N 1 2 358.417 2.658 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)c1 ZINC000494175684 515756719 /nfs/dbraw/zinc/75/67/19/515756719.db2.gz JYURVSDCOANAMB-UHFFFAOYSA-N 1 2 357.801 2.837 20 30 FFEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N(C)CC(C)(C)C#N)cc1 ZINC000457532168 515948404 /nfs/dbraw/zinc/94/84/04/515948404.db2.gz RTGWXWKKSZYJTK-GOSISDBHSA-N 1 2 358.486 2.560 20 30 FFEDLO CCCc1csc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 ZINC000494845443 515981942 /nfs/dbraw/zinc/98/19/42/515981942.db2.gz HSEQUIGVRVSUGX-KRWDZBQOSA-N 1 2 354.479 2.858 20 30 FFEDLO C=C[C@@H]1CCCCN1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000495004912 516032790 /nfs/dbraw/zinc/03/27/90/516032790.db2.gz NEYAMJFRHIWFDJ-WOJBJXKFSA-N 1 2 357.498 2.680 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)Cc2[nH+]ccn2Cc2ccccc2)c(F)c1 ZINC000465025128 516045506 /nfs/dbraw/zinc/04/55/06/516045506.db2.gz WLHNZHPGRZRZPL-UHFFFAOYSA-N 1 2 355.394 2.916 20 30 FFEDLO C=CCC[C@@H](O)C[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000483356551 516046881 /nfs/dbraw/zinc/04/68/81/516046881.db2.gz OIHZBQPABLITOR-MRXNPFEDSA-N 1 2 365.275 2.789 20 30 FFEDLO C=CCC[C@@H](O)C[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000483356551 516046887 /nfs/dbraw/zinc/04/68/87/516046887.db2.gz OIHZBQPABLITOR-MRXNPFEDSA-N 1 2 365.275 2.789 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)NCc2cccc(Cl)c2)CC1 ZINC000507276274 516152052 /nfs/dbraw/zinc/15/20/52/516152052.db2.gz FRAPDTPOMFNPIX-UHFFFAOYSA-N 1 2 368.868 2.650 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000512165534 516180711 /nfs/dbraw/zinc/18/07/11/516180711.db2.gz LOHDSLILFLUAQP-LJQANCHMSA-N 1 2 370.449 2.964 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000512165534 516180719 /nfs/dbraw/zinc/18/07/19/516180719.db2.gz LOHDSLILFLUAQP-LJQANCHMSA-N 1 2 370.449 2.964 20 30 FFEDLO C=CCn1cccc1C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000501630067 516180876 /nfs/dbraw/zinc/18/08/76/516180876.db2.gz RMHUVIUTKYPOCL-PMACEKPBSA-N 1 2 353.466 2.818 20 30 FFEDLO C=CCn1cccc1C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000501630067 516180886 /nfs/dbraw/zinc/18/08/86/516180886.db2.gz RMHUVIUTKYPOCL-PMACEKPBSA-N 1 2 353.466 2.818 20 30 FFEDLO CCc1cccc(OC[C@@H](O)C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000460596064 516198801 /nfs/dbraw/zinc/19/88/01/516198801.db2.gz IXXPNTVLTZPTJV-SFHVURJKSA-N 1 2 352.434 2.624 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000512215153 516199738 /nfs/dbraw/zinc/19/97/38/516199738.db2.gz VNONMAKDQGTNPR-AWEZNQCLSA-N 1 2 372.421 2.906 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000512215153 516199742 /nfs/dbraw/zinc/19/97/42/516199742.db2.gz VNONMAKDQGTNPR-AWEZNQCLSA-N 1 2 372.421 2.906 20 30 FFEDLO Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000460600762 516199954 /nfs/dbraw/zinc/19/99/54/516199954.db2.gz WCPDXDZCSXDCIS-SFHVURJKSA-N 1 2 352.434 2.678 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000488360684 516204478 /nfs/dbraw/zinc/20/44/78/516204478.db2.gz XEYMXSBRFYGBRC-ZDUSSCGKSA-N 1 2 350.401 2.679 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000488360684 516204483 /nfs/dbraw/zinc/20/44/83/516204483.db2.gz XEYMXSBRFYGBRC-ZDUSSCGKSA-N 1 2 350.401 2.679 20 30 FFEDLO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000497496158 516324057 /nfs/dbraw/zinc/32/40/57/516324057.db2.gz USCOSQYGEIQHMM-UHFFFAOYSA-N 1 2 359.433 2.748 20 30 FFEDLO N#Cc1ccc(NCC(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)nc1 ZINC000497660917 516329478 /nfs/dbraw/zinc/32/94/78/516329478.db2.gz JTZUSONPKAWWHD-UHFFFAOYSA-N 1 2 372.432 2.626 20 30 FFEDLO C=C1CC[NH+](CC(=O)N(CCC)CC(=O)Nc2ccccc2OC)CC1 ZINC000517468317 516335665 /nfs/dbraw/zinc/33/56/65/516335665.db2.gz HEZDMHOPNPHIOB-UHFFFAOYSA-N 1 2 359.470 2.524 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCc4cccc(O)c43)CC2)cc1 ZINC000561044259 516349869 /nfs/dbraw/zinc/34/98/69/516349869.db2.gz VNLUWTMFUPZQIZ-IBGZPJMESA-N 1 2 361.445 2.638 20 30 FFEDLO C=CC[N@@H+](Cc1nc(CC(C)C)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517530726 516353686 /nfs/dbraw/zinc/35/36/86/516353686.db2.gz ZPVKHLAQYFODMH-OAHLLOKOSA-N 1 2 367.457 2.993 20 30 FFEDLO C=CC[N@H+](Cc1nc(CC(C)C)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517530726 516353691 /nfs/dbraw/zinc/35/36/91/516353691.db2.gz ZPVKHLAQYFODMH-OAHLLOKOSA-N 1 2 367.457 2.993 20 30 FFEDLO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C)(C#N)CC3)C2=O)cc1Cl ZINC000543717044 516389093 /nfs/dbraw/zinc/38/90/93/516389093.db2.gz PFMWQCJXHWYOBL-CQSZACIVSA-N 1 2 361.829 2.606 20 30 FFEDLO O=[N+]([O-])c1ccc(N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)cn1 ZINC000531416477 516455923 /nfs/dbraw/zinc/45/59/23/516455923.db2.gz ZKIBMMDTPHUGMV-UHFFFAOYSA-N 1 2 356.813 2.817 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc([C@H]4CCCO4)s3)CC2)nc1 ZINC000535782389 516506509 /nfs/dbraw/zinc/50/65/09/516506509.db2.gz ASLJYCGHIIPPIS-MRXNPFEDSA-N 1 2 355.467 2.583 20 30 FFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000540338016 516517962 /nfs/dbraw/zinc/51/79/62/516517962.db2.gz IPMHGPSBTDODKI-CYBMUJFWSA-N 1 2 355.373 2.884 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000543976321 516523000 /nfs/dbraw/zinc/52/30/00/516523000.db2.gz OHQYZLYKEUZZKF-UHFFFAOYSA-N 1 2 358.467 2.636 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cnn(CC(F)F)c3)CC2)c(Cl)c1 ZINC000513265861 516546210 /nfs/dbraw/zinc/54/62/10/516546210.db2.gz HTAPSFVWHXRKDX-UHFFFAOYSA-N 1 2 365.815 2.995 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cc1 ZINC000513421526 516616195 /nfs/dbraw/zinc/61/61/95/516616195.db2.gz XCVKCXGTZMZDEK-SFHVURJKSA-N 1 2 371.525 2.816 20 30 FFEDLO C=CCOc1ccc(CN2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)cc1 ZINC000513421526 516616200 /nfs/dbraw/zinc/61/62/00/516616200.db2.gz XCVKCXGTZMZDEK-SFHVURJKSA-N 1 2 371.525 2.816 20 30 FFEDLO CCCc1ccc(S(=O)(=O)N2CC[NH+](CCC(C)(C)C#N)CC2)cc1 ZINC000540667090 516660316 /nfs/dbraw/zinc/66/03/16/516660316.db2.gz STMRKTHDPSXDPA-UHFFFAOYSA-N 1 2 363.527 2.885 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](OC(F)F)C2)c1C ZINC000555071139 516766416 /nfs/dbraw/zinc/76/64/16/516766416.db2.gz MXYOOLNGALMXKH-HNNXBMFYSA-N 1 2 351.397 2.864 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](OC(F)F)C2)c1C ZINC000555071139 516766423 /nfs/dbraw/zinc/76/64/23/516766423.db2.gz MXYOOLNGALMXKH-HNNXBMFYSA-N 1 2 351.397 2.864 20 30 FFEDLO Cc1noc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 ZINC000544475536 516777293 /nfs/dbraw/zinc/77/72/93/516777293.db2.gz STRATBYXOABRED-JTQLQIEISA-N 1 2 359.455 2.869 20 30 FFEDLO C=CC[N@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)Cc1ccccc1F ZINC000532153130 516829372 /nfs/dbraw/zinc/82/93/72/516829372.db2.gz YBGHUNRZABFFFG-GOSISDBHSA-N 1 2 354.425 2.934 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)Cc1ccccc1F ZINC000532153130 516829381 /nfs/dbraw/zinc/82/93/81/516829381.db2.gz YBGHUNRZABFFFG-GOSISDBHSA-N 1 2 354.425 2.934 20 30 FFEDLO CCOc1ccc(NC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000558628878 516846586 /nfs/dbraw/zinc/84/65/86/516846586.db2.gz CNJJQVHYTCOVBE-UHFFFAOYSA-N 1 2 364.449 2.976 20 30 FFEDLO CCOC(=O)c1c(C)onc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000562033613 516885680 /nfs/dbraw/zinc/88/56/80/516885680.db2.gz DDGOUOLEXDZECM-UHFFFAOYSA-N 1 2 368.437 2.744 20 30 FFEDLO CCOC(=O)c1c(C)onc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000562033613 516885692 /nfs/dbraw/zinc/88/56/92/516885692.db2.gz DDGOUOLEXDZECM-UHFFFAOYSA-N 1 2 368.437 2.744 20 30 FFEDLO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3nc(C#N)cs3)cc2)C[C@@H](C)O1 ZINC000562078511 516910888 /nfs/dbraw/zinc/91/08/88/516910888.db2.gz KEUGPBZSHRUHDS-ZIAGYGMSSA-N 1 2 370.478 2.554 20 30 FFEDLO CC#CC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000555752435 517103023 /nfs/dbraw/zinc/10/30/23/517103023.db2.gz DFFORYRUDOPYQJ-UHFFFAOYSA-N 1 2 352.413 2.999 20 30 FFEDLO CC#CC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000555752435 517103034 /nfs/dbraw/zinc/10/30/34/517103034.db2.gz DFFORYRUDOPYQJ-UHFFFAOYSA-N 1 2 352.413 2.999 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)cc1F ZINC000519680053 517118417 /nfs/dbraw/zinc/11/84/17/517118417.db2.gz RJGBKYHYFMLQAH-OAHLLOKOSA-N 1 2 362.430 2.830 20 30 FFEDLO Cc1nc(NCc2cccc(C(=O)Nc3cc(CC#N)ccn3)c2)cc[nH+]1 ZINC000541727860 517189865 /nfs/dbraw/zinc/18/98/65/517189865.db2.gz RDTARRUNPHRPSX-UHFFFAOYSA-N 1 2 358.405 2.532 20 30 FFEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]CC(=O)NC3(C#N)CCC3)n2)cc1 ZINC000525886628 517217760 /nfs/dbraw/zinc/21/77/60/517217760.db2.gz INEOQTFSBAGUSS-CYBMUJFWSA-N 1 2 353.426 2.512 20 30 FFEDLO CC[N@H+](CC(=O)NC1(C#N)CCC1)Cc1cc(Br)ccc1F ZINC000525893448 517221996 /nfs/dbraw/zinc/22/19/96/517221996.db2.gz HLFHRVOYRKXYRT-UHFFFAOYSA-N 1 2 368.250 2.973 20 30 FFEDLO CC[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1cc(Br)ccc1F ZINC000525893448 517222005 /nfs/dbraw/zinc/22/20/05/517222005.db2.gz HLFHRVOYRKXYRT-UHFFFAOYSA-N 1 2 368.250 2.973 20 30 FFEDLO COc1ccc(Cl)cc1N1C(=O)C[C@H]([NH+]2CCC(CC#N)CC2)C1=O ZINC000541905957 517286547 /nfs/dbraw/zinc/28/65/47/517286547.db2.gz ZSTZHAWGMQDARP-HNNXBMFYSA-N 1 2 361.829 2.606 20 30 FFEDLO C[C@@H](C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1)[NH+]1CCSCC1 ZINC000533089871 517288474 /nfs/dbraw/zinc/28/84/74/517288474.db2.gz IEXNEPLJWXSEJO-SMDDNHRTSA-N 1 2 373.400 2.703 20 30 FFEDLO CC(C)[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1nc(-c2cccnc2)no1 ZINC000556326914 517371845 /nfs/dbraw/zinc/37/18/45/517371845.db2.gz PWXPSDQJKJFZRW-INIZCTEOSA-N 1 2 374.408 2.533 20 30 FFEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000562986692 517559170 /nfs/dbraw/zinc/55/91/70/517559170.db2.gz QXOWQBIUZWRKIU-VIFPVBQESA-N 1 2 356.739 2.935 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(Cl)cc4c3OCC4)CC2)n1 ZINC000546259202 517616723 /nfs/dbraw/zinc/61/67/23/517616723.db2.gz JSGIROXWIVWQLB-UHFFFAOYSA-N 1 2 354.841 2.864 20 30 FFEDLO COC(=O)c1cccc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c1C#N ZINC000542540664 517619646 /nfs/dbraw/zinc/61/96/46/517619646.db2.gz JAEIJMZYYBYLPU-AVRWGWEMSA-N 1 2 356.447 2.554 20 30 FFEDLO Cc1nc(N2CCN(c3cccc(Br)c3C#N)CC2)cc[nH+]1 ZINC000516221562 517622813 /nfs/dbraw/zinc/62/28/13/517622813.db2.gz KUAJKGHABCFFDY-UHFFFAOYSA-N 1 2 358.243 2.746 20 30 FFEDLO N#Cc1c(C[N@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)cn2ccccc12 ZINC000549830903 517731684 /nfs/dbraw/zinc/73/16/84/517731684.db2.gz NXVZUWSFFMKION-NRFANRHFSA-N 1 2 358.445 2.744 20 30 FFEDLO N#Cc1c(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)cn2ccccc12 ZINC000549830903 517731690 /nfs/dbraw/zinc/73/16/90/517731690.db2.gz NXVZUWSFFMKION-NRFANRHFSA-N 1 2 358.445 2.744 20 30 FFEDLO Cc1nc2cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc2n1-c1ccccc1 ZINC000563220976 517749991 /nfs/dbraw/zinc/74/99/91/517749991.db2.gz YDPXHRXHRLDOBD-NRFANRHFSA-N 1 2 361.449 2.908 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)N3CCC(CC#N)CC3)c[nH+]2)C[C@H](C)O1 ZINC000542852258 517780869 /nfs/dbraw/zinc/78/08/69/517780869.db2.gz WYNIQNIMVJVIGW-HOTGVXAUSA-N 1 2 371.485 2.530 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3nccc(C)c3C#N)CC2)cc(OC)c1 ZINC000543134394 517925639 /nfs/dbraw/zinc/92/56/39/517925639.db2.gz RQSNVUQYNXXBIJ-UHFFFAOYSA-N 1 2 352.438 2.601 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC34CCC(CC3)C4)CC2)cc1 ZINC000534545091 517936806 /nfs/dbraw/zinc/93/68/06/517936806.db2.gz NCMPYEGFKRPZFC-UHFFFAOYSA-N 1 2 352.482 2.966 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000516958135 517942257 /nfs/dbraw/zinc/94/22/57/517942257.db2.gz DOTXGZZOJQQGDL-WFASDCNBSA-N 1 2 355.360 2.774 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000516958135 517942265 /nfs/dbraw/zinc/94/22/65/517942265.db2.gz DOTXGZZOJQQGDL-WFASDCNBSA-N 1 2 355.360 2.774 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000550326433 517997172 /nfs/dbraw/zinc/99/71/72/517997172.db2.gz AJKJLYZGMBSYBC-UONOGXRCSA-N 1 2 357.479 2.920 20 30 FFEDLO CC[C@@H](C)[N@H+](CC(=O)NCc1cccc(C#N)c1)CC(=O)OC(C)(C)C ZINC000534689268 518001538 /nfs/dbraw/zinc/00/15/38/518001538.db2.gz AAACNTLXMSJJNY-OAHLLOKOSA-N 1 2 359.470 2.617 20 30 FFEDLO CC[C@@H](C)[N@@H+](CC(=O)NCc1cccc(C#N)c1)CC(=O)OC(C)(C)C ZINC000534689268 518001547 /nfs/dbraw/zinc/00/15/47/518001547.db2.gz AAACNTLXMSJJNY-OAHLLOKOSA-N 1 2 359.470 2.617 20 30 FFEDLO N#Cc1c(NCc2c[nH+]c3ccc(Br)cn23)n[nH]c1C1CC1 ZINC000563695289 518074297 /nfs/dbraw/zinc/07/42/97/518074297.db2.gz ZCEIOEYNFOGFTF-UHFFFAOYSA-N 1 2 357.215 2.603 20 30 FFEDLO Cn1cc(CNc2ccc(N3CCCC3)c[nH+]2)c(-c2ccc(C#N)cc2)n1 ZINC000554177670 518093968 /nfs/dbraw/zinc/09/39/68/518093968.db2.gz SESBVMZTORGNCB-UHFFFAOYSA-N 1 2 358.449 2.988 20 30 FFEDLO C=CCCCCCNC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000581321263 518230338 /nfs/dbraw/zinc/23/03/38/518230338.db2.gz DJLSWISADUENMK-QGZVFWFLSA-N 1 2 372.444 2.627 20 30 FFEDLO Cc1cccc(-c2noc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)n2)c1 ZINC000564150028 518324222 /nfs/dbraw/zinc/32/42/22/518324222.db2.gz JNDMZEHOZGCHJX-QGZVFWFLSA-N 1 2 361.405 2.965 20 30 FFEDLO Cc1cccc(-c2noc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)n2)c1 ZINC000564150028 518324226 /nfs/dbraw/zinc/32/42/26/518324226.db2.gz JNDMZEHOZGCHJX-QGZVFWFLSA-N 1 2 361.405 2.965 20 30 FFEDLO CC(=O)c1ccccc1NC(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000564150744 518326261 /nfs/dbraw/zinc/32/62/61/518326261.db2.gz BUPAKWHDOSFAFY-UHFFFAOYSA-N 1 2 365.433 2.848 20 30 FFEDLO CC(=O)c1ccccc1NC(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000564150744 518326267 /nfs/dbraw/zinc/32/62/67/518326267.db2.gz BUPAKWHDOSFAFY-UHFFFAOYSA-N 1 2 365.433 2.848 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](C)c1ccc(F)cc1 ZINC000567197064 518399235 /nfs/dbraw/zinc/39/92/35/518399235.db2.gz HROZMPZAFUEBAH-CQSZACIVSA-N 1 2 361.442 2.949 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](C)c1ccc(F)cc1 ZINC000567197064 518399243 /nfs/dbraw/zinc/39/92/43/518399243.db2.gz HROZMPZAFUEBAH-CQSZACIVSA-N 1 2 361.442 2.949 20 30 FFEDLO CCC[C@H]([NH2+]Cc1nc(C#N)cs1)C(=O)N1CCc2sccc2C1 ZINC000578925401 518437880 /nfs/dbraw/zinc/43/78/80/518437880.db2.gz XGFYNJRLSMMEAP-AWEZNQCLSA-N 1 2 360.508 2.919 20 30 FFEDLO CC(=O)N1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC12CCCCC2 ZINC000573123589 518518171 /nfs/dbraw/zinc/51/81/71/518518171.db2.gz KPYSNNSVJMAGTB-UHFFFAOYSA-N 1 2 356.426 2.833 20 30 FFEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC12CCCCC2 ZINC000573123589 518518175 /nfs/dbraw/zinc/51/81/75/518518175.db2.gz KPYSNNSVJMAGTB-UHFFFAOYSA-N 1 2 356.426 2.833 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000581981879 518529884 /nfs/dbraw/zinc/52/98/84/518529884.db2.gz LPACZECGXVCNKL-BZSNNMDCSA-N 1 2 354.454 2.790 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c1C#N ZINC000567542840 518577064 /nfs/dbraw/zinc/57/70/64/518577064.db2.gz YFEBILYVLSRFLJ-UHFFFAOYSA-N 1 2 350.374 2.718 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c1C#N ZINC000567542840 518577070 /nfs/dbraw/zinc/57/70/70/518577070.db2.gz YFEBILYVLSRFLJ-UHFFFAOYSA-N 1 2 350.374 2.718 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cnnn2Cc2ccccc2)CC1 ZINC000582158558 518615666 /nfs/dbraw/zinc/61/56/66/518615666.db2.gz WOELUCKMEPGYBX-UHFFFAOYSA-N 1 2 358.449 2.779 20 30 FFEDLO Cn1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C2CCC2)n1 ZINC000576565011 518654725 /nfs/dbraw/zinc/65/47/25/518654725.db2.gz SLVIWSZHNUIKAZ-UHFFFAOYSA-N 1 2 363.465 2.517 20 30 FFEDLO C[N@H+](CCc1ccc(Cl)cc1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000582264457 518667221 /nfs/dbraw/zinc/66/72/21/518667221.db2.gz LPPHSUADZLWXMP-UHFFFAOYSA-N 1 2 363.870 2.555 20 30 FFEDLO C[N@@H+](CCc1ccc(Cl)cc1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000582264457 518667230 /nfs/dbraw/zinc/66/72/30/518667230.db2.gz LPPHSUADZLWXMP-UHFFFAOYSA-N 1 2 363.870 2.555 20 30 FFEDLO COc1cccc(OCC[NH+]2CCN(C(=O)CCCCCC#N)CC2)c1 ZINC000588161690 518737719 /nfs/dbraw/zinc/73/77/19/518737719.db2.gz JPNCPVUHQZWZDZ-UHFFFAOYSA-N 1 2 359.470 2.692 20 30 FFEDLO COc1cc(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)ccc1C#N ZINC000582413392 518741937 /nfs/dbraw/zinc/74/19/37/518741937.db2.gz VTVHVKQYHCNSLV-UHFFFAOYSA-N 1 2 362.393 2.528 20 30 FFEDLO COc1cc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)ccc1C#N ZINC000570767707 518767622 /nfs/dbraw/zinc/76/76/22/518767622.db2.gz FGPFYDJTEYSYBD-INIZCTEOSA-N 1 2 374.238 2.646 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCCCS3)CC2)cc1 ZINC000576885061 518810498 /nfs/dbraw/zinc/81/04/98/518810498.db2.gz OURLWOSXNHESRM-SFHVURJKSA-N 1 2 358.511 2.671 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000565263526 518868055 /nfs/dbraw/zinc/86/80/55/518868055.db2.gz YAZOIRNQDZGXSW-UHFFFAOYSA-N 1 2 351.397 2.721 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000565263526 518868059 /nfs/dbraw/zinc/86/80/59/518868059.db2.gz YAZOIRNQDZGXSW-UHFFFAOYSA-N 1 2 351.397 2.721 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000577038439 518885125 /nfs/dbraw/zinc/88/51/25/518885125.db2.gz UGJXSEGNTWLBEZ-MOPGFXCFSA-N 1 2 351.450 2.686 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000577038439 518885130 /nfs/dbraw/zinc/88/51/30/518885130.db2.gz UGJXSEGNTWLBEZ-MOPGFXCFSA-N 1 2 351.450 2.686 20 30 FFEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000582828754 518941205 /nfs/dbraw/zinc/94/12/05/518941205.db2.gz XHCUSFQUXLMQGL-YOEHRIQHSA-N 1 2 353.426 2.619 20 30 FFEDLO Cc1cc2[nH+]cn(C[C@H](O)CSCc3ncc(C#N)cn3)c2cc1C ZINC000577165259 518944822 /nfs/dbraw/zinc/94/48/22/518944822.db2.gz HGSHKMVPJRJDFU-HNNXBMFYSA-N 1 2 353.451 2.609 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)ccc1[N+](=O)[O-] ZINC000565509671 518990869 /nfs/dbraw/zinc/99/08/69/518990869.db2.gz KTAHSNDRVNMHCO-UHFFFAOYSA-N 1 2 373.438 2.562 20 30 FFEDLO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000571287105 519020237 /nfs/dbraw/zinc/02/02/37/519020237.db2.gz CJEFLATWCLDKDT-KRWDZBQOSA-N 1 2 368.368 2.843 20 30 FFEDLO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000571287105 519020244 /nfs/dbraw/zinc/02/02/44/519020244.db2.gz CJEFLATWCLDKDT-KRWDZBQOSA-N 1 2 368.368 2.843 20 30 FFEDLO Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCC[N@@H+]1CCOCCC#N ZINC000583037613 519046229 /nfs/dbraw/zinc/04/62/29/519046229.db2.gz LILAVZBRXBDLSX-LJQANCHMSA-N 1 2 372.444 2.932 20 30 FFEDLO Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCC[N@H+]1CCOCCC#N ZINC000583037613 519046237 /nfs/dbraw/zinc/04/62/37/519046237.db2.gz LILAVZBRXBDLSX-LJQANCHMSA-N 1 2 372.444 2.932 20 30 FFEDLO CCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(F)cc1 ZINC000583522862 519292216 /nfs/dbraw/zinc/29/22/16/519292216.db2.gz BANSHBGMXUHGAZ-UHFFFAOYSA-N 1 2 361.442 2.778 20 30 FFEDLO CCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(F)cc1 ZINC000583522862 519292223 /nfs/dbraw/zinc/29/22/23/519292223.db2.gz BANSHBGMXUHGAZ-UHFFFAOYSA-N 1 2 361.442 2.778 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000574802941 519339130 /nfs/dbraw/zinc/33/91/30/519339130.db2.gz CQJQEKAKLDZXQO-SFHVURJKSA-N 1 2 350.422 2.969 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000574802941 519339136 /nfs/dbraw/zinc/33/91/36/519339136.db2.gz CQJQEKAKLDZXQO-SFHVURJKSA-N 1 2 350.422 2.969 20 30 FFEDLO CN(C(=O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1)C1(C#N)CCCCC1 ZINC000574855024 519365643 /nfs/dbraw/zinc/36/56/43/519365643.db2.gz RPTIUQAWUTYITM-UHFFFAOYSA-N 1 2 353.466 2.924 20 30 FFEDLO CN(C(=O)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1)C1(C#N)CCCCC1 ZINC000574855024 519365651 /nfs/dbraw/zinc/36/56/51/519365651.db2.gz RPTIUQAWUTYITM-UHFFFAOYSA-N 1 2 353.466 2.924 20 30 FFEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nccn1CC(F)(F)F ZINC000574884673 519383454 /nfs/dbraw/zinc/38/34/54/519383454.db2.gz QKNBJCLVMRRDAR-UHFFFAOYSA-N 1 2 352.360 2.966 20 30 FFEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nccn1CC(F)(F)F ZINC000574884673 519383458 /nfs/dbraw/zinc/38/34/58/519383458.db2.gz QKNBJCLVMRRDAR-UHFFFAOYSA-N 1 2 352.360 2.966 20 30 FFEDLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1cnc2c(C#N)cnn2c1 ZINC000566245092 519390122 /nfs/dbraw/zinc/39/01/22/519390122.db2.gz CWJMDMWBJBJIQY-UHFFFAOYSA-N 1 2 366.400 2.589 20 30 FFEDLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1cnc2c(C#N)cnn2c1 ZINC000566245092 519390129 /nfs/dbraw/zinc/39/01/29/519390129.db2.gz CWJMDMWBJBJIQY-UHFFFAOYSA-N 1 2 366.400 2.589 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000569159022 519406918 /nfs/dbraw/zinc/40/69/18/519406918.db2.gz GBVYLJVDBKRBEB-YJBOKZPZSA-N 1 2 354.853 2.887 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000569159022 519406922 /nfs/dbraw/zinc/40/69/22/519406922.db2.gz GBVYLJVDBKRBEB-YJBOKZPZSA-N 1 2 354.853 2.887 20 30 FFEDLO C[NH+](C)Cc1csc(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)n1 ZINC000590894639 519424842 /nfs/dbraw/zinc/42/48/42/519424842.db2.gz UKWWEJBBWHLLMK-MRXNPFEDSA-N 1 2 355.467 2.684 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(Br)c(C#N)cc1F ZINC000572179398 519483099 /nfs/dbraw/zinc/48/30/99/519483099.db2.gz UAXBKLUULJFOPK-YPMHNXCESA-N 1 2 368.250 2.759 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)C[C@H](C)N1CC#N ZINC000602858407 519931892 /nfs/dbraw/zinc/93/18/92/519931892.db2.gz RTDVQKOBCVBGTM-BETUJISGSA-N 1 2 354.376 2.562 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)C[C@H](C)N1CC#N ZINC000602858407 519931904 /nfs/dbraw/zinc/93/19/04/519931904.db2.gz RTDVQKOBCVBGTM-BETUJISGSA-N 1 2 354.376 2.562 20 30 FFEDLO COc1ccc(C2=NN(C(=O)C[NH2+][C@H](C)CC#N)[C@H](c3ccco3)C2)cc1 ZINC000602865117 519936269 /nfs/dbraw/zinc/93/62/69/519936269.db2.gz SZQMECWMLWSARJ-KDOFPFPSSA-N 1 2 366.421 2.858 20 30 FFEDLO COc1ccc(-c2csc(NC(=O)C[NH2+][C@@H](C)CC#N)n2)c(OC)c1 ZINC000602869138 519937075 /nfs/dbraw/zinc/93/70/75/519937075.db2.gz MQQJXGDNIWDPNQ-NSHDSACASA-N 1 2 360.439 2.658 20 30 FFEDLO Cn1cc(C2=CCC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)cn1 ZINC000602889993 519953754 /nfs/dbraw/zinc/95/37/54/519953754.db2.gz YBZLCPCZBIZWMQ-UHFFFAOYSA-N 1 2 355.829 2.673 20 30 FFEDLO Cn1cc(C2=CCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)cn1 ZINC000602889993 519953766 /nfs/dbraw/zinc/95/37/66/519953766.db2.gz YBZLCPCZBIZWMQ-UHFFFAOYSA-N 1 2 355.829 2.673 20 30 FFEDLO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602975745 520001701 /nfs/dbraw/zinc/00/17/01/520001701.db2.gz GRXIDXOCXQLUQS-IAGOWNOFSA-N 1 2 359.470 2.676 20 30 FFEDLO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602975745 520001709 /nfs/dbraw/zinc/00/17/09/520001709.db2.gz GRXIDXOCXQLUQS-IAGOWNOFSA-N 1 2 359.470 2.676 20 30 FFEDLO C[C@@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@@H](C)N1CC#N ZINC000603099015 520077194 /nfs/dbraw/zinc/07/71/94/520077194.db2.gz JLOWPRYBTAAMLL-HZPDHXFCSA-N 1 2 350.422 2.932 20 30 FFEDLO CC(C)(C#N)c1ccc(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)cc1 ZINC000597620818 520140967 /nfs/dbraw/zinc/14/09/67/520140967.db2.gz CBMIHKQKNTXIHI-UHFFFAOYSA-N 1 2 367.453 2.787 20 30 FFEDLO N#CC[C@H](CC(=O)NCc1nc(C[NH+]2CCCCC2)no1)c1ccccc1 ZINC000597621895 520141853 /nfs/dbraw/zinc/14/18/53/520141853.db2.gz OKQSCGVDOLMFMP-QGZVFWFLSA-N 1 2 367.453 2.759 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[NH+]2CCC1CC2 ZINC000594778749 520153075 /nfs/dbraw/zinc/15/30/75/520153075.db2.gz GYVRRENEDAJNSO-UHFFFAOYSA-N 1 2 361.492 2.550 20 30 FFEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCO1 ZINC000609129464 520200090 /nfs/dbraw/zinc/20/00/90/520200090.db2.gz URUDKCDEEKTDMA-MRXNPFEDSA-N 1 2 365.433 2.801 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCO1 ZINC000609129464 520200097 /nfs/dbraw/zinc/20/00/97/520200097.db2.gz URUDKCDEEKTDMA-MRXNPFEDSA-N 1 2 365.433 2.801 20 30 FFEDLO N#CCn1c(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc2ccccc21 ZINC000609163617 520215516 /nfs/dbraw/zinc/21/55/16/520215516.db2.gz QQWWNGWPLKJITJ-UHFFFAOYSA-N 1 2 359.433 2.959 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000592151721 520229927 /nfs/dbraw/zinc/22/99/27/520229927.db2.gz QSTOCDAOOIYWHQ-HNNXBMFYSA-N 1 2 353.209 2.894 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000592151721 520229938 /nfs/dbraw/zinc/22/99/38/520229938.db2.gz QSTOCDAOOIYWHQ-HNNXBMFYSA-N 1 2 353.209 2.894 20 30 FFEDLO N#Cc1ccc(CNC(=O)Nc2ccccc2C[NH+]2CCOCC2)c(F)c1 ZINC000609252820 520245664 /nfs/dbraw/zinc/24/56/64/520245664.db2.gz UGPPQYCYJIRBCO-UHFFFAOYSA-N 1 2 368.412 2.851 20 30 FFEDLO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1nnc2n1CCCCC2 ZINC000613062753 520297338 /nfs/dbraw/zinc/29/73/38/520297338.db2.gz ZWHUFSIPSWTSTI-GFCCVEGCSA-N 1 2 372.860 2.819 20 30 FFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000617043699 520297970 /nfs/dbraw/zinc/29/79/70/520297970.db2.gz DCWVJWGDQHXTDZ-KBAYOESNSA-N 1 2 360.502 2.734 20 30 FFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000617043699 520297972 /nfs/dbraw/zinc/29/79/72/520297972.db2.gz DCWVJWGDQHXTDZ-KBAYOESNSA-N 1 2 360.502 2.734 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N[C@H](C)c2ccccc2Cl)CC1 ZINC000609484825 520328786 /nfs/dbraw/zinc/32/87/86/520328786.db2.gz FZFTVVIXDWKSRA-CRAIPNDOSA-N 1 2 362.905 2.683 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000603662420 520338374 /nfs/dbraw/zinc/33/83/74/520338374.db2.gz ZUIFMXOBCIDHCK-CTNGQTDRSA-N 1 2 352.434 2.566 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000603662420 520338383 /nfs/dbraw/zinc/33/83/83/520338383.db2.gz ZUIFMXOBCIDHCK-CTNGQTDRSA-N 1 2 352.434 2.566 20 30 FFEDLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609538545 520347249 /nfs/dbraw/zinc/34/72/49/520347249.db2.gz LOKCCQNPDPKWQK-OALUTQOASA-N 1 2 358.486 2.578 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000609537979 520348455 /nfs/dbraw/zinc/34/84/55/520348455.db2.gz GQVLIBKJDGWGPI-KURKYZTESA-N 1 2 374.554 2.966 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000609539290 520349225 /nfs/dbraw/zinc/34/92/25/520349225.db2.gz WZUDPGQKOUDGHT-UEXGIBASSA-N 1 2 368.525 2.909 20 30 FFEDLO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000609615602 520380176 /nfs/dbraw/zinc/38/01/76/520380176.db2.gz GOSHJFVOEGTWCO-IUODEOHRSA-N 1 2 350.344 2.844 20 30 FFEDLO N#Cc1ccc(CC[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000595293880 520389128 /nfs/dbraw/zinc/38/91/28/520389128.db2.gz BWZCMQYCKOZLDP-UHFFFAOYSA-N 1 2 370.434 2.528 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](C)[C@H](C)CC#N)c1CN(C)[C@H](C)CC#N ZINC000595342913 520419212 /nfs/dbraw/zinc/41/92/12/520419212.db2.gz CFYFQECHWMWUPW-HZPDHXFCSA-N 1 2 356.470 2.941 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)CC#N)c1CN(C)[C@H](C)CC#N ZINC000595342913 520419216 /nfs/dbraw/zinc/41/92/16/520419216.db2.gz CFYFQECHWMWUPW-HZPDHXFCSA-N 1 2 356.470 2.941 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000609800865 520438973 /nfs/dbraw/zinc/43/89/73/520438973.db2.gz UHELOUYFCNTUAK-LJQANCHMSA-N 1 2 351.475 2.965 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000609800865 520438980 /nfs/dbraw/zinc/43/89/80/520438980.db2.gz UHELOUYFCNTUAK-LJQANCHMSA-N 1 2 351.475 2.965 20 30 FFEDLO COC(=O)CN(CC#N)C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000609991953 520498263 /nfs/dbraw/zinc/49/82/63/520498263.db2.gz KMZGIQXABIMYBY-UHFFFAOYSA-N 1 2 359.769 2.666 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCn2c[nH+]cc2C1 ZINC000595492581 520505253 /nfs/dbraw/zinc/50/52/53/520505253.db2.gz XEAZXNNTYQOXAN-CYBMUJFWSA-N 1 2 369.494 2.928 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c(C(F)(F)F)c1 ZINC000595496315 520507190 /nfs/dbraw/zinc/50/71/90/520507190.db2.gz HGNCWHKRUMMWSO-GFCCVEGCSA-N 1 2 351.332 2.780 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c(C(F)(F)F)c1 ZINC000595496315 520507197 /nfs/dbraw/zinc/50/71/97/520507197.db2.gz HGNCWHKRUMMWSO-GFCCVEGCSA-N 1 2 351.332 2.780 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)CNc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000604447186 520564982 /nfs/dbraw/zinc/56/49/82/520564982.db2.gz QIZQNPMWVSOQQW-LJQANCHMSA-N 1 2 363.396 2.749 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)CCCNC(=O)C2CCC2)c1C#N ZINC000617575606 520587861 /nfs/dbraw/zinc/58/78/61/520587861.db2.gz HJSAKOAHEZCNFK-UHFFFAOYSA-N 1 2 365.481 2.791 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)CCCNC(=O)C2CCC2)c1C#N ZINC000617575606 520587863 /nfs/dbraw/zinc/58/78/63/520587863.db2.gz HJSAKOAHEZCNFK-UHFFFAOYSA-N 1 2 365.481 2.791 20 30 FFEDLO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595610376 520589325 /nfs/dbraw/zinc/58/93/25/520589325.db2.gz XMSNIVYTEPZJRY-GOSISDBHSA-N 1 2 370.497 2.798 20 30 FFEDLO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595610376 520589331 /nfs/dbraw/zinc/58/93/31/520589331.db2.gz XMSNIVYTEPZJRY-GOSISDBHSA-N 1 2 370.497 2.798 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595618338 520597471 /nfs/dbraw/zinc/59/74/71/520597471.db2.gz NSARNHGIZVTJAB-KKSFZXQISA-N 1 2 371.481 2.831 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595618338 520597477 /nfs/dbraw/zinc/59/74/77/520597477.db2.gz NSARNHGIZVTJAB-KKSFZXQISA-N 1 2 371.481 2.831 20 30 FFEDLO Cc1cccc2c1ncc(C#N)c2NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000610245969 520597868 /nfs/dbraw/zinc/59/78/68/520597868.db2.gz DPQGDJVLZTZPAY-UHFFFAOYSA-N 1 2 359.433 2.681 20 30 FFEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)N[C@@H](c2nccs2)c2ccccc2)C1 ZINC000595621127 520598708 /nfs/dbraw/zinc/59/87/08/520598708.db2.gz UESSLPDAYIUWSO-CRAIPNDOSA-N 1 2 354.479 2.974 20 30 FFEDLO N#CC[C@H]1CCC[N@H+](CC(=O)N[C@@H](c2nccs2)c2ccccc2)C1 ZINC000595621127 520598716 /nfs/dbraw/zinc/59/87/16/520598716.db2.gz UESSLPDAYIUWSO-CRAIPNDOSA-N 1 2 354.479 2.974 20 30 FFEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C3(C#N)CC4(CC4)C3)CC2)c1 ZINC000601038404 520608233 /nfs/dbraw/zinc/60/82/33/520608233.db2.gz NOYMXPXYHHTVSJ-INIZCTEOSA-N 1 2 353.466 2.984 20 30 FFEDLO C=CC[C@H]1CCC[N@@H+](Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)C1 ZINC000595660475 520628870 /nfs/dbraw/zinc/62/88/70/520628870.db2.gz RJHIBXBQFDLZGC-LBPRGKRZSA-N 1 2 361.467 2.868 20 30 FFEDLO C=CC[C@H]1CCC[N@H+](Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)C1 ZINC000595660475 520628874 /nfs/dbraw/zinc/62/88/74/520628874.db2.gz RJHIBXBQFDLZGC-LBPRGKRZSA-N 1 2 361.467 2.868 20 30 FFEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1ccc(Br)cc1F ZINC000610392179 520663741 /nfs/dbraw/zinc/66/37/41/520663741.db2.gz PYXYZCXHTMCMOZ-UHFFFAOYSA-N 1 2 372.238 2.779 20 30 FFEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1ccc(Br)cc1F ZINC000610392179 520663751 /nfs/dbraw/zinc/66/37/51/520663751.db2.gz PYXYZCXHTMCMOZ-UHFFFAOYSA-N 1 2 372.238 2.779 20 30 FFEDLO C[C@@H](C#N)N(CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C1CC1 ZINC000595710181 520665937 /nfs/dbraw/zinc/66/59/37/520665937.db2.gz NTCFHOSFJGLBLE-AWEZNQCLSA-N 1 2 361.515 2.690 20 30 FFEDLO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)c1nnc2n1CCCCC2 ZINC000595803444 520736426 /nfs/dbraw/zinc/73/64/26/520736426.db2.gz LYLWEPUTCCXDSR-GDBMZVCRSA-N 1 2 366.469 2.944 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)OCC23CCC3)cc1 ZINC000593089897 520737036 /nfs/dbraw/zinc/73/70/36/520737036.db2.gz VGACUIKTPKINSX-QGZVFWFLSA-N 1 2 371.481 2.975 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)OCC23CCC3)cc1 ZINC000593089897 520737042 /nfs/dbraw/zinc/73/70/42/520737042.db2.gz VGACUIKTPKINSX-QGZVFWFLSA-N 1 2 371.481 2.975 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCOC(C4CC4)(C4CC4)C3)o2)cc1 ZINC000595822379 520747314 /nfs/dbraw/zinc/74/73/14/520747314.db2.gz SGFPNGTYDLNBTO-UHFFFAOYSA-N 1 2 350.422 2.999 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCOC(C4CC4)(C4CC4)C3)o2)cc1 ZINC000595822379 520747321 /nfs/dbraw/zinc/74/73/21/520747321.db2.gz SGFPNGTYDLNBTO-UHFFFAOYSA-N 1 2 350.422 2.999 20 30 FFEDLO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595835204 520757562 /nfs/dbraw/zinc/75/75/62/520757562.db2.gz PNQNVTIBXLPASP-YLJYHZDGSA-N 1 2 357.454 2.603 20 30 FFEDLO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595835204 520757571 /nfs/dbraw/zinc/75/75/71/520757571.db2.gz PNQNVTIBXLPASP-YLJYHZDGSA-N 1 2 357.454 2.603 20 30 FFEDLO C[C@H](NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)c1[nH+]ccn1C ZINC000595845807 520762511 /nfs/dbraw/zinc/76/25/11/520762511.db2.gz RLVWWDRMAMEHKQ-ZDUSSCGKSA-N 1 2 372.860 2.538 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)nc1 ZINC000610675183 520791995 /nfs/dbraw/zinc/79/19/95/520791995.db2.gz JPFSLXPEDXHUQU-UHFFFAOYSA-N 1 2 353.426 2.540 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000595890456 520797463 /nfs/dbraw/zinc/79/74/63/520797463.db2.gz MLBJEOUSPVTIFG-TZMCWYRMSA-N 1 2 358.360 2.987 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000595890456 520797467 /nfs/dbraw/zinc/79/74/67/520797467.db2.gz MLBJEOUSPVTIFG-TZMCWYRMSA-N 1 2 358.360 2.987 20 30 FFEDLO Cc1cccc(NC(=O)C[NH+]2CCN(c3nc(C#N)ccc3C)CC2)c1C ZINC000596058615 520885079 /nfs/dbraw/zinc/88/50/79/520885079.db2.gz NLMWGUIJJPZYEP-UHFFFAOYSA-N 1 2 363.465 2.639 20 30 FFEDLO N#Cc1cc2cccnc2nc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000596071514 520893486 /nfs/dbraw/zinc/89/34/86/520893486.db2.gz PIRRLXNONWIWJI-LJQANCHMSA-N 1 2 359.433 2.987 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc(O)cc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000614304869 520900136 /nfs/dbraw/zinc/90/01/36/520900136.db2.gz VYHABTSJDASWNT-MSOLQXFVSA-N 1 2 357.360 2.717 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)c2cc(O)cc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000614304869 520900143 /nfs/dbraw/zinc/90/01/43/520900143.db2.gz VYHABTSJDASWNT-MSOLQXFVSA-N 1 2 357.360 2.717 20 30 FFEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)ccc1Cl ZINC000601730911 520922447 /nfs/dbraw/zinc/92/24/47/520922447.db2.gz ZBLDDPUMVUZQMX-UHFFFAOYSA-N 1 2 355.825 2.875 20 30 FFEDLO N#Cc1ccc(Cl)c(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)c1 ZINC000601728918 520923075 /nfs/dbraw/zinc/92/30/75/520923075.db2.gz MBGGSKUSKJVEFW-UHFFFAOYSA-N 1 2 355.825 2.875 20 30 FFEDLO CCC1CCC([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)(C(=O)OC)CC1 ZINC000610989224 520932784 /nfs/dbraw/zinc/93/27/84/520932784.db2.gz JIRDYOZYJROYSS-JGCRXCKMSA-N 1 2 374.481 2.594 20 30 FFEDLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2c(C#N)cnn2C)CC1 ZINC000596136847 520933277 /nfs/dbraw/zinc/93/32/77/520933277.db2.gz FMGQCFWXWJYGRK-CYBMUJFWSA-N 1 2 374.286 2.937 20 30 FFEDLO COC(=O)Cc1cc[nH+]c(NC2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000596202437 520968588 /nfs/dbraw/zinc/96/85/88/520968588.db2.gz DSZKOEDCUQEMMB-UHFFFAOYSA-N 1 2 366.421 2.866 20 30 FFEDLO COC(=O)CC[N@H+](Cc1ccccc1)Cc1cccc(C(=O)OC)c1C#N ZINC000611128380 520999065 /nfs/dbraw/zinc/99/90/65/520999065.db2.gz YQLILWNQELSXBA-UHFFFAOYSA-N 1 2 366.417 2.910 20 30 FFEDLO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)OC)c1C#N ZINC000611128380 520999066 /nfs/dbraw/zinc/99/90/66/520999066.db2.gz YQLILWNQELSXBA-UHFFFAOYSA-N 1 2 366.417 2.910 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCN(CCC#N)CC1 ZINC000611175687 521024042 /nfs/dbraw/zinc/02/40/42/521024042.db2.gz KUJQZENGYDVZJF-CYBMUJFWSA-N 1 2 354.376 2.564 20 30 FFEDLO N#CCCN1CC[NH+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC1 ZINC000611176184 521026687 /nfs/dbraw/zinc/02/66/87/521026687.db2.gz YGJMPYZSQZFBAJ-UHFFFAOYSA-N 1 2 353.445 2.531 20 30 FFEDLO C=CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1)c1ccccc1 ZINC000614666698 521082136 /nfs/dbraw/zinc/08/21/36/521082136.db2.gz XUFXXVSJJWLWPP-SJLPKXTDSA-N 1 2 354.454 2.758 20 30 FFEDLO C=CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1)c1ccccc1 ZINC000614666698 521082143 /nfs/dbraw/zinc/08/21/43/521082143.db2.gz XUFXXVSJJWLWPP-SJLPKXTDSA-N 1 2 354.454 2.758 20 30 FFEDLO Cc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1C(F)(F)F ZINC000599229134 521098306 /nfs/dbraw/zinc/09/83/06/521098306.db2.gz AGZQNIOXVFSBLI-UHFFFAOYSA-N 1 2 369.387 2.702 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@H](C#N)c2ccc(F)cc2)cc1 ZINC000602058100 521110682 /nfs/dbraw/zinc/11/06/82/521110682.db2.gz OYONNNKYKFQCHW-RTBURBONSA-N 1 2 353.397 2.790 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@H](C#N)c2ccc(F)cc2)cc1 ZINC000602058100 521110694 /nfs/dbraw/zinc/11/06/94/521110694.db2.gz OYONNNKYKFQCHW-RTBURBONSA-N 1 2 353.397 2.790 20 30 FFEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC(Oc3cccc(C#N)c3)CC1)CC2 ZINC000599346375 521166570 /nfs/dbraw/zinc/16/65/70/521166570.db2.gz HABIRHCEWOBZOU-KRWDZBQOSA-N 1 2 364.449 2.696 20 30 FFEDLO N#CCCN1CC[NH+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000611500980 521191113 /nfs/dbraw/zinc/19/11/13/521191113.db2.gz DTKGLCAPXKSCRS-MRXNPFEDSA-N 1 2 367.280 2.630 20 30 FFEDLO Cc1cn2ccc(C(=O)NC3(c4cccc(C#N)c4)CCOCC3)cc2[nH+]1 ZINC000602184034 521195109 /nfs/dbraw/zinc/19/51/09/521195109.db2.gz RVYUIXMESQATFZ-UHFFFAOYSA-N 1 2 360.417 2.950 20 30 FFEDLO COc1ccc(C[N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000611516779 521198283 /nfs/dbraw/zinc/19/82/83/521198283.db2.gz YRKFOHLDPQZODM-SFHVURJKSA-N 1 2 350.422 2.589 20 30 FFEDLO COc1ccc(C[N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000611516779 521198290 /nfs/dbraw/zinc/19/82/90/521198290.db2.gz YRKFOHLDPQZODM-SFHVURJKSA-N 1 2 350.422 2.589 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cc4ccccc4n3CC#N)n2)C1 ZINC000611530111 521205070 /nfs/dbraw/zinc/20/50/70/521205070.db2.gz JLFIPCOGEZSDEB-KRWDZBQOSA-N 1 2 351.410 2.997 20 30 FFEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cc4ccccc4n3CC#N)n2)C1 ZINC000611530111 521205076 /nfs/dbraw/zinc/20/50/76/521205076.db2.gz JLFIPCOGEZSDEB-KRWDZBQOSA-N 1 2 351.410 2.997 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NCC[NH+]2Cc3ccccc3C2)c(Cl)c1 ZINC000611538829 521209748 /nfs/dbraw/zinc/20/97/48/521209748.db2.gz GQWYAMVNOLDHOV-UHFFFAOYSA-N 1 2 361.854 2.506 20 30 FFEDLO Cc1cc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)ccc1Oc1cc[nH+]cc1 ZINC000618866066 521269780 /nfs/dbraw/zinc/26/97/80/521269780.db2.gz GXQQFKKKIKNITA-IBGZPJMESA-N 1 2 368.368 2.585 20 30 FFEDLO CCC(CC)[C@H](C(=O)N[C@@H]1CCc2cc(C#N)ccc21)[NH+]1CCOCC1 ZINC000618893115 521281032 /nfs/dbraw/zinc/28/10/32/521281032.db2.gz WTKVUYQBWWBXLF-WOJBJXKFSA-N 1 2 355.482 2.799 20 30 FFEDLO N#CC1(c2ccc(C[NH+]3CCN(C(=O)c4ccc(O)cc4)CC3)cc2)CC1 ZINC000596984589 521425049 /nfs/dbraw/zinc/42/50/49/521425049.db2.gz DWEHGSHEDSLLQD-UHFFFAOYSA-N 1 2 361.445 2.905 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@@](F)(C#N)C1)c1ccc(Cl)cc1 ZINC000615577889 521455340 /nfs/dbraw/zinc/45/53/40/521455340.db2.gz PTQAFSIIFDUCIS-RHSMWYFYSA-N 1 2 361.808 2.810 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cnc4ccccn34)CC2)cc1 ZINC000597047476 521467391 /nfs/dbraw/zinc/46/73/91/521467391.db2.gz QVXYAGUXHWIQQN-UHFFFAOYSA-N 1 2 360.421 2.556 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@@](C)(C#N)C3)c[nH+]2)C[C@H](C)O1 ZINC000612108442 521485195 /nfs/dbraw/zinc/48/51/95/521485195.db2.gz LTQGDBUVFYFAIF-YRNRMSPPSA-N 1 2 371.485 2.530 20 30 FFEDLO C[C@@]1(C#N)CCC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000612162634 521513107 /nfs/dbraw/zinc/51/31/07/521513107.db2.gz IZCLUFYXKUTXPN-UTKZUKDTSA-N 1 2 369.465 2.747 20 30 FFEDLO C[C@@]1(C#N)CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000612162634 521513115 /nfs/dbraw/zinc/51/31/15/521513115.db2.gz IZCLUFYXKUTXPN-UTKZUKDTSA-N 1 2 369.465 2.747 20 30 FFEDLO COC(=O)c1coc([C@@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000602773644 521525214 /nfs/dbraw/zinc/52/52/14/521525214.db2.gz WGCKXYBLQTYWDC-CYBMUJFWSA-N 1 2 355.394 2.937 20 30 FFEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000602819499 521551209 /nfs/dbraw/zinc/55/12/09/521551209.db2.gz DENQNYVQLSFACW-RTBURBONSA-N 1 2 372.900 2.676 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1Br ZINC000597228712 521585990 /nfs/dbraw/zinc/58/59/90/521585990.db2.gz FWNZLGOBCGXZJO-XHDPSFHLSA-N 1 2 359.227 2.589 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1F ZINC000612359213 521592060 /nfs/dbraw/zinc/59/20/60/521592060.db2.gz HGIVZNXZKSESHQ-APWZRJJASA-N 1 2 355.417 2.984 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000597248117 521594404 /nfs/dbraw/zinc/59/44/04/521594404.db2.gz MQPPRXPYTRZOOH-CYBMUJFWSA-N 1 2 356.376 2.750 20 30 FFEDLO N#Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccco3)CC2)cc1Cl ZINC000619506438 521600711 /nfs/dbraw/zinc/60/07/11/521600711.db2.gz MYMPFCVOETUBBC-UHFFFAOYSA-N 1 2 358.829 2.561 20 30 FFEDLO C=CC[C@@H]1CCN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000623504999 522074424 /nfs/dbraw/zinc/07/44/24/522074424.db2.gz JGDCWIPCZXVUDT-GOSISDBHSA-N 1 2 373.497 2.505 20 30 FFEDLO C=CCC1(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CCCC1 ZINC000624168224 522520097 /nfs/dbraw/zinc/52/00/97/522520097.db2.gz BFRIIMNAWCETCK-LJQANCHMSA-N 1 2 372.513 2.718 20 30 FFEDLO C=CCC1(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CCCC1 ZINC000624168224 522520108 /nfs/dbraw/zinc/52/01/08/522520108.db2.gz BFRIIMNAWCETCK-LJQANCHMSA-N 1 2 372.513 2.718 20 30 FFEDLO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000624838263 522958225 /nfs/dbraw/zinc/95/82/25/522958225.db2.gz GRDLMFSXALUFJE-NVXWUHKLSA-N 1 2 357.458 2.619 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000628118826 523353386 /nfs/dbraw/zinc/35/33/86/523353386.db2.gz MDKDXWDSTQRRSD-CYBMUJFWSA-N 1 2 359.875 2.532 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000628118826 523353393 /nfs/dbraw/zinc/35/33/93/523353393.db2.gz MDKDXWDSTQRRSD-CYBMUJFWSA-N 1 2 359.875 2.532 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCCN(CC)C(=O)C2)cc1OC ZINC000628246852 523437244 /nfs/dbraw/zinc/43/72/44/523437244.db2.gz GAZYJEUZRSFIKG-UHFFFAOYSA-N 1 2 352.862 2.968 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCCN(CC)C(=O)C2)cc1OC ZINC000628246852 523437253 /nfs/dbraw/zinc/43/72/53/523437253.db2.gz GAZYJEUZRSFIKG-UHFFFAOYSA-N 1 2 352.862 2.968 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1OC ZINC000625791801 523688595 /nfs/dbraw/zinc/68/85/95/523688595.db2.gz GRERVFHMHFVGGB-AWEZNQCLSA-N 1 2 353.260 2.897 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1OC ZINC000625791801 523688605 /nfs/dbraw/zinc/68/86/05/523688605.db2.gz GRERVFHMHFVGGB-AWEZNQCLSA-N 1 2 353.260 2.897 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800627 523696580 /nfs/dbraw/zinc/69/65/80/523696580.db2.gz YWSWNHAXSMNBLP-SFTDATJTSA-N 1 2 369.465 2.541 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800627 523696591 /nfs/dbraw/zinc/69/65/91/523696591.db2.gz YWSWNHAXSMNBLP-SFTDATJTSA-N 1 2 369.465 2.541 20 30 FFEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 ZINC000477365758 561143264 /nfs/dbraw/zinc/14/32/64/561143264.db2.gz PNNHWYITDLVLJF-UHFFFAOYSA-N 1 2 374.448 2.887 20 30 FFEDLO Cn1cc(C#N)c(=NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)[nH]1 ZINC000610876590 554573862 /nfs/dbraw/zinc/57/38/62/554573862.db2.gz AIJWCLWKNNMTFN-DLBZAZTESA-N 1 2 361.409 2.539 20 30 FFEDLO Cc1cc(NCCNC(=O)c2cc(F)c(C#N)c(F)c2)nc(C(C)C)[nH+]1 ZINC000529844097 562388484 /nfs/dbraw/zinc/38/84/84/562388484.db2.gz AUJJRHBLOGBQQC-UHFFFAOYSA-N 1 2 359.380 2.900 20 30 FFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000669188729 568386375 /nfs/dbraw/zinc/38/63/75/568386375.db2.gz FBGHDZQTLAIAPL-AYOQOUSVSA-N 1 2 355.482 2.540 20 30 FFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000669188729 568386376 /nfs/dbraw/zinc/38/63/76/568386376.db2.gz FBGHDZQTLAIAPL-AYOQOUSVSA-N 1 2 355.482 2.540 20 30 FFEDLO C#CC[C@@H]([NH2+]Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)c1ccccc1 ZINC000823839010 608517778 /nfs/dbraw/zinc/51/77/78/608517778.db2.gz YHBDXSKJGPKECV-QGZVFWFLSA-N 1 2 371.404 2.771 20 30 FFEDLO CSc1ccc(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1C#N ZINC000899376143 735480122 /nfs/dbraw/zinc/48/01/22/735480122.db2.gz HSVVBMSEUAWZIM-QGZVFWFLSA-N 1 2 359.495 2.540 20 30 FFEDLO CSc1ccc(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1C#N ZINC000899376143 735480124 /nfs/dbraw/zinc/48/01/24/735480124.db2.gz HSVVBMSEUAWZIM-QGZVFWFLSA-N 1 2 359.495 2.540 20 30 FFEDLO C=CCCS(=O)(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000125961216 728690357 /nfs/dbraw/zinc/69/03/57/728690357.db2.gz ZUULHFWMCDPVED-VQIMIIECSA-N 1 2 365.543 2.828 20 30 FFEDLO C=CCCS(=O)(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000125961216 728690359 /nfs/dbraw/zinc/69/03/59/728690359.db2.gz ZUULHFWMCDPVED-VQIMIIECSA-N 1 2 365.543 2.828 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3s2)CC1 ZINC000130112553 728715221 /nfs/dbraw/zinc/71/52/21/728715221.db2.gz QHIQHOWTQXPWMK-CQSZACIVSA-N 1 2 359.520 2.944 20 30 FFEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(NS(C)(=O)=O)cc3)n2c1 ZINC000151418502 728745353 /nfs/dbraw/zinc/74/53/53/728745353.db2.gz MKIHCELFOYTHKI-CMDGGOBGSA-N 1 2 355.419 2.910 20 30 FFEDLO Cc1cc(C)n([C@H](C)CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000328850372 729795454 /nfs/dbraw/zinc/79/54/54/729795454.db2.gz RSFLOKMSERHUBC-SJLPKXTDSA-N 1 2 366.531 2.615 20 30 FFEDLO C[N@H+](CCOCCNC(=O)OC(C)(C)C)Cc1cccc(F)c1C#N ZINC000859862450 730467758 /nfs/dbraw/zinc/46/77/58/730467758.db2.gz TZMWIRZMHLCTFI-UHFFFAOYSA-N 1 2 351.422 2.670 20 30 FFEDLO C[N@@H+](CCOCCNC(=O)OC(C)(C)C)Cc1cccc(F)c1C#N ZINC000859862450 730467759 /nfs/dbraw/zinc/46/77/59/730467759.db2.gz TZMWIRZMHLCTFI-UHFFFAOYSA-N 1 2 351.422 2.670 20 30 FFEDLO N#C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1c(Cl)cccc1Cl ZINC000865198510 730923735 /nfs/dbraw/zinc/92/37/35/730923735.db2.gz JVHJLXRPKJTJQI-FWWGQDLDSA-N 1 2 354.237 2.563 20 30 FFEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000867680292 731212808 /nfs/dbraw/zinc/21/28/08/731212808.db2.gz GVUVTDBAYRWHPK-UHFFFAOYSA-N 1 2 359.451 2.884 20 30 FFEDLO C#CCC1(O)CC[NH+](CC(=O)N2CC[C@H](C)Sc3ccccc32)CC1 ZINC000880477433 732912816 /nfs/dbraw/zinc/91/28/16/732912816.db2.gz QPUBBPWVEMLHLD-INIZCTEOSA-N 1 2 358.507 2.754 20 30 FFEDLO C#CCC1(O)CC[NH+](Cc2cc(Br)ccc2C(=O)OC)CC1 ZINC000880483694 732914095 /nfs/dbraw/zinc/91/40/95/732914095.db2.gz JGBFSYCUEYIVPN-UHFFFAOYSA-N 1 2 366.255 2.586 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000742237818 735213737 /nfs/dbraw/zinc/21/37/37/735213737.db2.gz PWVTVDXKVCOPGR-ZDUSSCGKSA-N 1 2 351.397 2.513 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000742237818 735213741 /nfs/dbraw/zinc/21/37/41/735213741.db2.gz PWVTVDXKVCOPGR-ZDUSSCGKSA-N 1 2 351.397 2.513 20 30 FFEDLO CS[C@H]1CC[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1 ZINC000742266968 735216065 /nfs/dbraw/zinc/21/60/65/735216065.db2.gz OMLVVWPZDHIHMC-STQMWFEESA-N 1 2 356.495 2.930 20 30 FFEDLO Cc1c(Br)cncc1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000897599794 735253296 /nfs/dbraw/zinc/25/32/96/735253296.db2.gz WASHYZZKSLFSGM-UHFFFAOYSA-N 1 2 351.244 2.990 20 30 FFEDLO CC(=NNC(=S)N[C@H](C)C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000751530356 735890676 /nfs/dbraw/zinc/89/06/76/735890676.db2.gz XELIAAMMZCCCOH-RDTXWAMCSA-N 1 2 360.527 2.526 20 30 FFEDLO CC(=NNC(=S)N[C@H](C)C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000751530356 735890679 /nfs/dbraw/zinc/89/06/79/735890679.db2.gz XELIAAMMZCCCOH-RDTXWAMCSA-N 1 2 360.527 2.526 20 30 FFEDLO C#C[C@@H](CC)NC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000753262906 736050698 /nfs/dbraw/zinc/05/06/98/736050698.db2.gz ASNHSJFSGYUMTO-INIZCTEOSA-N 1 2 353.388 2.944 20 30 FFEDLO Cc1cccn2c(CN=Nc3nc(Br)cn4ccnc34)c[nH+]c12 ZINC000755758331 736276947 /nfs/dbraw/zinc/27/69/47/736276947.db2.gz PBIUYXXKJUQMJF-UHFFFAOYSA-N 1 2 370.214 2.894 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000929148365 738948589 /nfs/dbraw/zinc/94/85/89/738948589.db2.gz BHXMASNZDFCGJY-CABCVRRESA-N 1 2 354.376 2.575 20 30 FFEDLO C=C(Cl)CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000766319650 737218677 /nfs/dbraw/zinc/21/86/77/737218677.db2.gz OWUHDIXIHDVWCK-HUUCEWRRSA-N 1 2 358.269 2.763 20 30 FFEDLO C=C(Cl)CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000766319650 737218681 /nfs/dbraw/zinc/21/86/81/737218681.db2.gz OWUHDIXIHDVWCK-HUUCEWRRSA-N 1 2 358.269 2.763 20 30 FFEDLO Cc1ccc(C)c(S(=O)(=O)NN=C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000915939449 737666067 /nfs/dbraw/zinc/66/60/67/737666067.db2.gz LONSZZKSLLPEAY-UHFFFAOYSA-N 1 2 358.467 2.633 20 30 FFEDLO O=C(C=CNc1ccccc1C(=O)OCCn1cc[nH+]c1)C(F)(F)F ZINC000771869799 737762865 /nfs/dbraw/zinc/76/28/65/737762865.db2.gz ZVFINKHVIOXRMB-AATRIKPKSA-N 1 2 353.300 2.797 20 30 FFEDLO C=CC[N@@H+](Cn1c(=O)oc2cc(I)ccc21)C1CC1 ZINC000777957713 738335193 /nfs/dbraw/zinc/33/51/93/738335193.db2.gz JUYDXTUINGSKFI-UHFFFAOYSA-N 1 2 370.190 2.807 20 30 FFEDLO C=CC[N@H+](Cn1c(=O)oc2cc(I)ccc21)C1CC1 ZINC000777957713 738335196 /nfs/dbraw/zinc/33/51/96/738335196.db2.gz JUYDXTUINGSKFI-UHFFFAOYSA-N 1 2 370.190 2.807 20 30 FFEDLO N#CC1(NC(=O)c2csc(C=O)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000778446685 738383612 /nfs/dbraw/zinc/38/36/12/738383612.db2.gz BUDYAMWKKSIINI-UHFFFAOYSA-N 1 2 353.447 2.849 20 30 FFEDLO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)Cn1cccc(C#N)c1=O ZINC000787244187 739118179 /nfs/dbraw/zinc/11/81/79/739118179.db2.gz HCPKGNXAILELQP-UHFFFAOYSA-N 1 2 351.328 2.707 20 30 FFEDLO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)Cn1cccc(C#N)c1=O ZINC000787244187 739118180 /nfs/dbraw/zinc/11/81/80/739118180.db2.gz HCPKGNXAILELQP-UHFFFAOYSA-N 1 2 351.328 2.707 20 30 FFEDLO N#CC[C@@H](O)C[N@@H+]1Cc2cc(Br)ccc2OC2(CCC2)C1 ZINC000932128410 739392760 /nfs/dbraw/zinc/39/27/60/739392760.db2.gz LGAWKGAISUKGDI-CQSZACIVSA-N 1 2 351.244 2.841 20 30 FFEDLO N#CC[C@@H](O)C[N@H+]1Cc2cc(Br)ccc2OC2(CCC2)C1 ZINC000932128410 739392765 /nfs/dbraw/zinc/39/27/65/739392765.db2.gz LGAWKGAISUKGDI-CQSZACIVSA-N 1 2 351.244 2.841 20 30 FFEDLO C[C@H]1C[N@H+](Cc2nc(C#N)cs2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC000932709558 739500179 /nfs/dbraw/zinc/50/01/79/739500179.db2.gz IWBJPPINJLLZFO-STQMWFEESA-N 1 2 350.488 2.997 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2nc(C#N)cs2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC000932709558 739500180 /nfs/dbraw/zinc/50/01/80/739500180.db2.gz IWBJPPINJLLZFO-STQMWFEESA-N 1 2 350.488 2.997 20 30 FFEDLO C[N@H+](CC(=O)NCCCOc1ccccc1F)Cc1cc(C#N)cs1 ZINC000933775231 739688587 /nfs/dbraw/zinc/68/85/87/739688587.db2.gz LWGUVLZRCCQFJG-UHFFFAOYSA-N 1 2 361.442 2.776 20 30 FFEDLO C[N@@H+](CC(=O)NCCCOc1ccccc1F)Cc1cc(C#N)cs1 ZINC000933775231 739688589 /nfs/dbraw/zinc/68/85/89/739688589.db2.gz LWGUVLZRCCQFJG-UHFFFAOYSA-N 1 2 361.442 2.776 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nccs2)CC1(C)C ZINC000940753905 740183219 /nfs/dbraw/zinc/18/32/19/740183219.db2.gz QERXAGIOSICBSS-PMPSAXMXSA-N 1 2 363.527 2.841 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nccs2)CC1(C)C ZINC000940753905 740183220 /nfs/dbraw/zinc/18/32/20/740183220.db2.gz QERXAGIOSICBSS-PMPSAXMXSA-N 1 2 363.527 2.841 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2nccs2)CC1(C)C ZINC000941094119 740199629 /nfs/dbraw/zinc/19/96/29/740199629.db2.gz YCYHUPNZESAHNF-UXLLHSPISA-N 1 2 363.527 2.841 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2nccs2)CC1(C)C ZINC000941094119 740199630 /nfs/dbraw/zinc/19/96/30/740199630.db2.gz YCYHUPNZESAHNF-UXLLHSPISA-N 1 2 363.527 2.841 20 30 FFEDLO C[C@@H](NC(=O)[C@H]1CC[C@@H](C)O1)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000970444445 740749144 /nfs/dbraw/zinc/74/91/44/740749144.db2.gz HSXMOINVUNZXHF-SPYBWZPUSA-N 1 2 360.885 2.696 20 30 FFEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC000972590551 740838738 /nfs/dbraw/zinc/83/87/38/740838738.db2.gz SBFQYFHSKIMBPR-NSHGMRRFSA-N 1 2 360.885 2.933 20 30 FFEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC000972590551 740838740 /nfs/dbraw/zinc/83/87/40/740838740.db2.gz SBFQYFHSKIMBPR-NSHGMRRFSA-N 1 2 360.885 2.933 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC000982061084 741189316 /nfs/dbraw/zinc/18/93/16/741189316.db2.gz KHNDTBBKTRPAED-LSDHHAIUSA-N 1 2 353.304 2.866 20 30 FFEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC000982061084 741189318 /nfs/dbraw/zinc/18/93/18/741189318.db2.gz KHNDTBBKTRPAED-LSDHHAIUSA-N 1 2 353.304 2.866 20 30 FFEDLO C#C[C@H](C)N(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000812193391 741594771 /nfs/dbraw/zinc/59/47/71/741594771.db2.gz HSRSAHMRPVKIOH-UXEPBGEESA-N 1 2 353.388 2.902 20 30 FFEDLO C#C[C@H](C)N(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000812193391 741594773 /nfs/dbraw/zinc/59/47/73/741594773.db2.gz HSRSAHMRPVKIOH-UXEPBGEESA-N 1 2 353.388 2.902 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000815631220 741949059 /nfs/dbraw/zinc/94/90/59/741949059.db2.gz SXNNNVJSSZUTEW-BMFZPTHFSA-N 1 2 365.861 2.722 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)s1 ZINC001007975411 742354595 /nfs/dbraw/zinc/35/45/95/742354595.db2.gz FMXSZMCMHZRNBT-DFEHZGFQSA-N 1 2 359.495 2.515 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)s1 ZINC001007975411 742354600 /nfs/dbraw/zinc/35/46/00/742354600.db2.gz FMXSZMCMHZRNBT-DFEHZGFQSA-N 1 2 359.495 2.515 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000819441229 742391283 /nfs/dbraw/zinc/39/12/83/742391283.db2.gz BOJBJJAGYIKJBL-AWEZNQCLSA-N 1 2 361.833 2.541 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000819441229 742391289 /nfs/dbraw/zinc/39/12/89/742391289.db2.gz BOJBJJAGYIKJBL-AWEZNQCLSA-N 1 2 361.833 2.541 20 30 FFEDLO C=C(Cl)CSc1nc(C)c(CC(=O)NCCc2cn(C)c[nH+]2)s1 ZINC000819564299 742407956 /nfs/dbraw/zinc/40/79/56/742407956.db2.gz QXWOXRTVMKEVKB-UHFFFAOYSA-N 1 2 370.931 2.931 20 30 FFEDLO C#C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000820559758 742518893 /nfs/dbraw/zinc/51/88/93/742518893.db2.gz NBAUNDJQAAYXDY-ZWKOTPCHSA-N 1 2 361.873 2.521 20 30 FFEDLO C=C(C)C(C)(C)C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000821447648 742629011 /nfs/dbraw/zinc/62/90/11/742629011.db2.gz JVYTZYUAYHOMKL-UHFFFAOYSA-N 1 2 350.484 2.538 20 30 FFEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001027612300 742776148 /nfs/dbraw/zinc/77/61/48/742776148.db2.gz GTCSMYZQOMSGMS-PMPSAXMXSA-N 1 2 371.319 2.799 20 30 FFEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001027612300 742776152 /nfs/dbraw/zinc/77/61/52/742776152.db2.gz GTCSMYZQOMSGMS-PMPSAXMXSA-N 1 2 371.319 2.799 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccncc1Cl ZINC001027889867 742777788 /nfs/dbraw/zinc/77/77/88/742777788.db2.gz HJJYLFBKMIHWBA-NUJGCVRESA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccncc1Cl ZINC001027889867 742777790 /nfs/dbraw/zinc/77/77/90/742777790.db2.gz HJJYLFBKMIHWBA-NUJGCVRESA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001028154009 742788836 /nfs/dbraw/zinc/78/88/36/742788836.db2.gz AUNCMHBTIHFSAH-MGPQQGTHSA-N 1 2 353.260 2.872 20 30 FFEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001028154009 742788841 /nfs/dbraw/zinc/78/88/41/742788841.db2.gz AUNCMHBTIHFSAH-MGPQQGTHSA-N 1 2 353.260 2.872 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(Cl)c2F)C1 ZINC001031987637 742853600 /nfs/dbraw/zinc/85/36/00/742853600.db2.gz UZAIZZBAEZSVEX-ZBFHGGJFSA-N 1 2 352.837 2.618 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001033497159 742895577 /nfs/dbraw/zinc/89/55/77/742895577.db2.gz KPKOGWWODKVBQA-BQFCYCMXSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001033497159 742895585 /nfs/dbraw/zinc/89/55/85/742895585.db2.gz KPKOGWWODKVBQA-BQFCYCMXSA-N 1 2 363.889 2.749 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2cccnc2)s1 ZINC001038726663 742982534 /nfs/dbraw/zinc/98/25/34/742982534.db2.gz WMXFIYYEBLKCNO-FHLIZLRMSA-N 1 2 352.463 2.509 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2cccnc2)s1 ZINC001038726663 742982544 /nfs/dbraw/zinc/98/25/44/742982544.db2.gz WMXFIYYEBLKCNO-FHLIZLRMSA-N 1 2 352.463 2.509 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1OCC[C@H]1CC ZINC001049527852 743468865 /nfs/dbraw/zinc/46/88/65/743468865.db2.gz WCLYIERMKZBSBC-UGUYLWEFSA-N 1 2 371.319 2.775 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1OCC[C@H]1CC ZINC001049527852 743468871 /nfs/dbraw/zinc/46/88/71/743468871.db2.gz WCLYIERMKZBSBC-UGUYLWEFSA-N 1 2 371.319 2.775 20 30 FFEDLO CN1c2ccccc2C(C)(C)C1=CC(=O)CSC[C@@H]1C[N@H+](C)CCO1 ZINC000842652087 747649960 /nfs/dbraw/zinc/64/99/60/747649960.db2.gz JAAXMQOLOXJAMT-YLRSXTQRSA-N 1 2 360.523 2.931 20 30 FFEDLO CN1c2ccccc2C(C)(C)C1=CC(=O)CSC[C@@H]1C[N@@H+](C)CCO1 ZINC000842652087 747649965 /nfs/dbraw/zinc/64/99/65/747649965.db2.gz JAAXMQOLOXJAMT-YLRSXTQRSA-N 1 2 360.523 2.931 20 30 FFEDLO C=C(C)CONC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000845603353 748290668 /nfs/dbraw/zinc/29/06/68/748290668.db2.gz JFLALNQQDIHFPE-HOTGVXAUSA-N 1 2 353.850 2.519 20 30 FFEDLO C=C(C)CONC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000845603353 748290672 /nfs/dbraw/zinc/29/06/72/748290672.db2.gz JFLALNQQDIHFPE-HOTGVXAUSA-N 1 2 353.850 2.519 20 30 FFEDLO C#C[C@H]1CCC[N@@H+](Cc2nc3sc(C(=O)OCC)c(C)c3c(N)n2)C1 ZINC000847022628 748600639 /nfs/dbraw/zinc/60/06/39/748600639.db2.gz WLQNKYDQTUAJHJ-LBPRGKRZSA-N 1 2 358.467 2.604 20 30 FFEDLO C#C[C@H]1CCC[N@H+](Cc2nc3sc(C(=O)OCC)c(C)c3c(N)n2)C1 ZINC000847022628 748600645 /nfs/dbraw/zinc/60/06/45/748600645.db2.gz WLQNKYDQTUAJHJ-LBPRGKRZSA-N 1 2 358.467 2.604 20 30 FFEDLO CC(=NNCCCn1cc[nH+]c1)c1ccc(I)cc1 ZINC000848417665 748921477 /nfs/dbraw/zinc/92/14/77/748921477.db2.gz CROTUZJYNYXBRQ-UHFFFAOYSA-N 1 2 368.222 2.892 20 30 FFEDLO Cc1ccc2[nH]nc(C[N@@H+]3CCC[C@]34CCN(CCCC#N)C4=O)c2c1 ZINC001275837854 1013059691 /nfs/dbraw/zinc/05/96/91/1013059691.db2.gz VBMZNZAAAMRODL-HXUWFJFHSA-N 1 2 351.454 2.742 20 30 FFEDLO Cc1ccc2[nH]nc(C[N@H+]3CCC[C@]34CCN(CCCC#N)C4=O)c2c1 ZINC001275837854 1013059704 /nfs/dbraw/zinc/05/97/04/1013059704.db2.gz VBMZNZAAAMRODL-HXUWFJFHSA-N 1 2 351.454 2.742 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ncc(Cl)n2C)C1 ZINC001112063773 971156010 /nfs/dbraw/zinc/15/60/10/971156010.db2.gz VDUFULKLWHEFIK-GHMZBOCLSA-N 1 2 364.799 2.519 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001059441065 971741546 /nfs/dbraw/zinc/74/15/46/971741546.db2.gz ZBNOGILDSRKMLZ-OVWQWFNUSA-N 1 2 358.486 2.949 20 30 FFEDLO C=CCOc1ccc(/C=C\C(=O)O[C@H](C)C[NH+]2CCOCC2)cc1OC ZINC000784919667 959032485 /nfs/dbraw/zinc/03/24/85/959032485.db2.gz VMWJDSXTJVEQNV-QKIRZYONSA-N 1 2 361.438 2.537 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001208963989 959893444 /nfs/dbraw/zinc/89/34/44/959893444.db2.gz PZUAZHQAGCSHDJ-SJLPKXTDSA-N 1 2 357.498 2.972 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001208963989 959893455 /nfs/dbraw/zinc/89/34/55/959893455.db2.gz PZUAZHQAGCSHDJ-SJLPKXTDSA-N 1 2 357.498 2.972 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(F)cn2)C1 ZINC000970561587 961700445 /nfs/dbraw/zinc/70/04/45/961700445.db2.gz ZDOVADLTFKQIBX-JVPBZIDWSA-N 1 2 361.461 2.529 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(cccc3C)o1)C2 ZINC001110172547 1013283700 /nfs/dbraw/zinc/28/37/00/1013283700.db2.gz BJQFWBCBXQYMAQ-NJAFHUGGSA-N 1 2 352.434 2.726 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(cccc3C)o1)C2 ZINC001110172547 1013283706 /nfs/dbraw/zinc/28/37/06/1013283706.db2.gz BJQFWBCBXQYMAQ-NJAFHUGGSA-N 1 2 352.434 2.726 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](OC)c1ccc(F)cc1)C2 ZINC001110177435 1013358403 /nfs/dbraw/zinc/35/84/03/1013358403.db2.gz QDVPCBHSLCZSCT-LTIDMASMSA-N 1 2 352.837 2.987 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](OC)c1ccc(F)cc1)C2 ZINC001110177435 1013358409 /nfs/dbraw/zinc/35/84/09/1013358409.db2.gz QDVPCBHSLCZSCT-LTIDMASMSA-N 1 2 352.837 2.987 20 30 FFEDLO N#CCCCN1C[C@]2(CC[N@@H+](Cc3cccc(Cl)c3F)C2)OCC1=O ZINC001276065546 1013388978 /nfs/dbraw/zinc/38/89/78/1013388978.db2.gz NRRJSZIFLRFTDY-GOSISDBHSA-N 1 2 365.836 2.586 20 30 FFEDLO N#CCCCN1C[C@]2(CC[N@H+](Cc3cccc(Cl)c3F)C2)OCC1=O ZINC001276065546 1013388992 /nfs/dbraw/zinc/38/89/92/1013388992.db2.gz NRRJSZIFLRFTDY-GOSISDBHSA-N 1 2 365.836 2.586 20 30 FFEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3cccc(Cl)c3F)C2)OCC1=O ZINC001276065655 1013391546 /nfs/dbraw/zinc/39/15/46/1013391546.db2.gz QQKYFGNQWNOOJM-GOSISDBHSA-N 1 2 352.837 2.859 20 30 FFEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3cccc(Cl)c3F)C2)OCC1=O ZINC001276065655 1013391556 /nfs/dbraw/zinc/39/15/56/1013391556.db2.gz QQKYFGNQWNOOJM-GOSISDBHSA-N 1 2 352.837 2.859 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1F ZINC001110182792 1013417030 /nfs/dbraw/zinc/41/70/30/1013417030.db2.gz AIMVNOLUABXTKR-YVVXQTMVSA-N 1 2 350.409 2.777 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1F ZINC001110182792 1013417040 /nfs/dbraw/zinc/41/70/40/1013417040.db2.gz AIMVNOLUABXTKR-YVVXQTMVSA-N 1 2 350.409 2.777 20 30 FFEDLO COC(C)(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C#N)cc2F)C1=O ZINC001276089292 1013435084 /nfs/dbraw/zinc/43/50/84/1013435084.db2.gz LGRJPAUZHDZGMP-HXUWFJFHSA-N 1 2 359.445 2.689 20 30 FFEDLO COC(C)(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccc(C#N)cc2F)C1=O ZINC001276089292 1013435089 /nfs/dbraw/zinc/43/50/89/1013435089.db2.gz LGRJPAUZHDZGMP-HXUWFJFHSA-N 1 2 359.445 2.689 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000933213266 963716488 /nfs/dbraw/zinc/71/64/88/963716488.db2.gz HOCBTTINPUOSPX-IRXDYDNUSA-N 1 2 362.433 2.725 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000933213266 963716493 /nfs/dbraw/zinc/71/64/93/963716493.db2.gz HOCBTTINPUOSPX-IRXDYDNUSA-N 1 2 362.433 2.725 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933398187 964323511 /nfs/dbraw/zinc/32/35/11/964323511.db2.gz LGQOVFHKAQUFAX-CQSZACIVSA-N 1 2 356.401 2.693 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933398187 964323519 /nfs/dbraw/zinc/32/35/19/964323519.db2.gz LGQOVFHKAQUFAX-CQSZACIVSA-N 1 2 356.401 2.693 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@@H]2c2ccc(F)cc2)cn1 ZINC001087469191 965290361 /nfs/dbraw/zinc/29/03/61/965290361.db2.gz OSOWAFPMQBWHDL-WOJBJXKFSA-N 1 2 369.415 2.759 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@@H]2c2ccc(F)cc2)cn1 ZINC001087469191 965290369 /nfs/dbraw/zinc/29/03/69/965290369.db2.gz OSOWAFPMQBWHDL-WOJBJXKFSA-N 1 2 369.415 2.759 20 30 FFEDLO C[NH+]=C(NCC1([NH+](C)C)CCCCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262014105 965315142 /nfs/dbraw/zinc/31/51/42/965315142.db2.gz XIWGVNUNGXWEPI-ZWKOTPCHSA-N 1 2 360.550 2.606 20 30 FFEDLO C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000328998834 965424982 /nfs/dbraw/zinc/42/49/82/965424982.db2.gz WYDGNWIMTVCPOT-NVQRDWNXSA-N 1 2 373.501 2.697 20 30 FFEDLO N#Cc1ccccc1/C=C\C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000255413537 965452609 /nfs/dbraw/zinc/45/26/09/965452609.db2.gz SHWDRAMRHFWRTB-KHPPLWFESA-N 1 2 361.445 2.795 20 30 FFEDLO CC(C)(C)c1csc(C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)n1 ZINC001075770580 966022578 /nfs/dbraw/zinc/02/25/78/966022578.db2.gz AROPACIGKKWIHQ-JKSUJKDBSA-N 1 2 357.523 2.887 20 30 FFEDLO CC(C)(C)c1csc(C[N@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)n1 ZINC001075770580 966022593 /nfs/dbraw/zinc/02/25/93/966022593.db2.gz AROPACIGKKWIHQ-JKSUJKDBSA-N 1 2 357.523 2.887 20 30 FFEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3ccc(O)cc3)CC2)c1 ZINC000729479747 966060680 /nfs/dbraw/zinc/06/06/80/966060680.db2.gz DYBLPTWLFMDLAM-UHFFFAOYSA-N 1 2 351.406 2.746 20 30 FFEDLO CC[C@H](CO)Nc1cc(NC2CCN(c3ccccc3C#N)CC2)[nH+]cn1 ZINC000894925523 967105897 /nfs/dbraw/zinc/10/58/97/967105897.db2.gz MREDOKODRPHHGH-MRXNPFEDSA-N 1 2 366.469 2.612 20 30 FFEDLO CC[C@H](CO)Nc1cc(NC2CCN(c3ccccc3C#N)CC2)nc[nH+]1 ZINC000894925523 967105902 /nfs/dbraw/zinc/10/59/02/967105902.db2.gz MREDOKODRPHHGH-MRXNPFEDSA-N 1 2 366.469 2.612 20 30 FFEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)NC(C2CC2)(C2CC2)C1=O ZINC000725773251 967214702 /nfs/dbraw/zinc/21/47/02/967214702.db2.gz SSBSZVLNOXPPQC-UHFFFAOYSA-N 1 2 366.465 2.837 20 30 FFEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)NC(C2CC2)(C2CC2)C1=O ZINC000725773251 967214710 /nfs/dbraw/zinc/21/47/10/967214710.db2.gz SSBSZVLNOXPPQC-UHFFFAOYSA-N 1 2 366.465 2.837 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000052131112 967281594 /nfs/dbraw/zinc/28/15/94/967281594.db2.gz FNOLGESNTYUFQQ-UHFFFAOYSA-N 1 2 353.378 2.525 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000052131112 967281605 /nfs/dbraw/zinc/28/16/05/967281605.db2.gz FNOLGESNTYUFQQ-UHFFFAOYSA-N 1 2 353.378 2.525 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(Cl)ccc3Cl)[C@H]2C1 ZINC001083257697 967467172 /nfs/dbraw/zinc/46/71/72/967467172.db2.gz PWZADYFDSQNVRE-JKSUJKDBSA-N 1 2 353.249 2.542 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(Cl)ccc3Cl)[C@H]2C1 ZINC001083257697 967467179 /nfs/dbraw/zinc/46/71/79/967467179.db2.gz PWZADYFDSQNVRE-JKSUJKDBSA-N 1 2 353.249 2.542 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC001083257823 967467473 /nfs/dbraw/zinc/46/74/73/967467473.db2.gz WWIOTGDZRPCGEP-JKSUJKDBSA-N 1 2 353.249 2.542 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC001083257823 967467478 /nfs/dbraw/zinc/46/74/78/967467478.db2.gz WWIOTGDZRPCGEP-JKSUJKDBSA-N 1 2 353.249 2.542 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2c(F)cccc2F)C1 ZINC000972529454 967630369 /nfs/dbraw/zinc/63/03/69/967630369.db2.gz MWZLVQIAXKUUAR-VCBZYWHSSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2c(F)cccc2F)C1 ZINC000972529454 967630373 /nfs/dbraw/zinc/63/03/73/967630373.db2.gz MWZLVQIAXKUUAR-VCBZYWHSSA-N 1 2 364.436 2.979 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCOC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087526283 967670744 /nfs/dbraw/zinc/67/07/44/967670744.db2.gz KZNMYWUBCIBKAB-MDASCCDHSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCOC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087526283 967670751 /nfs/dbraw/zinc/67/07/51/967670751.db2.gz KZNMYWUBCIBKAB-MDASCCDHSA-N 1 2 359.445 2.593 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1cnc(C)cn1 ZINC001029312219 967685815 /nfs/dbraw/zinc/68/58/15/967685815.db2.gz WMSLVJFWJSVCJR-NUABRCLCSA-N 1 2 370.497 2.502 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1cnc(C)cn1 ZINC001029312219 967685820 /nfs/dbraw/zinc/68/58/20/967685820.db2.gz WMSLVJFWJSVCJR-NUABRCLCSA-N 1 2 370.497 2.502 20 30 FFEDLO CC(C)(C)C#CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2csnn2)C1 ZINC001211597219 967691879 /nfs/dbraw/zinc/69/18/79/967691879.db2.gz YSFGEEBWQAZACK-ZWKOTPCHSA-N 1 2 368.506 2.672 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CC3(C2)C[NH+](Cc2scnc2C)C3)cc1 ZINC001270936764 967838263 /nfs/dbraw/zinc/83/82/63/967838263.db2.gz JJDDIVNXJHORAK-UHFFFAOYSA-N 1 2 369.490 2.974 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnsc2Cl)C1 ZINC001104491927 967884451 /nfs/dbraw/zinc/88/44/51/967884451.db2.gz JASVUSNHPSVGDV-VXGBXAGGSA-N 1 2 356.923 2.978 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCN(C(=O)CCc3ccc(C)[nH+]c3C)C2)C1=O ZINC001271027221 967977382 /nfs/dbraw/zinc/97/73/82/967977382.db2.gz UIVHGOYFVIZVQV-NRFANRHFSA-N 1 2 355.482 2.658 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC001087541516 967979256 /nfs/dbraw/zinc/97/92/56/967979256.db2.gz UXWGXUHMXRMUGN-GOEBONIOSA-N 1 2 369.469 2.955 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC001087541516 967979263 /nfs/dbraw/zinc/97/92/63/967979263.db2.gz UXWGXUHMXRMUGN-GOEBONIOSA-N 1 2 369.469 2.955 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(OC)nn2)CCCC1 ZINC001111518010 968012062 /nfs/dbraw/zinc/01/20/62/968012062.db2.gz NVAPTOQFIOENKA-KURKYZTESA-N 1 2 370.497 2.843 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(OC)nn2)CCCC1 ZINC001111518010 968012073 /nfs/dbraw/zinc/01/20/73/968012073.db2.gz NVAPTOQFIOENKA-KURKYZTESA-N 1 2 370.497 2.843 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2nc(-c3ccc(C)c(OC)c3)no2)cc1 ZINC000138637194 968166101 /nfs/dbraw/zinc/16/61/01/968166101.db2.gz CAWKFVCKGIFORU-UHFFFAOYSA-N 1 2 368.393 2.899 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2nccc(C)n2)[C@@H]1CC ZINC001087602986 968328730 /nfs/dbraw/zinc/32/87/30/968328730.db2.gz RDOMANVRHDCAIV-DLBZAZTESA-N 1 2 353.470 2.555 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2nccc(C)n2)[C@@H]1CC ZINC001087602986 968328741 /nfs/dbraw/zinc/32/87/41/968328741.db2.gz RDOMANVRHDCAIV-DLBZAZTESA-N 1 2 353.470 2.555 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cc(OC)ccn2)[C@H]1CC ZINC001087682789 968592549 /nfs/dbraw/zinc/59/25/49/968592549.db2.gz RURBVQKIQINWAI-DZGCQCFKSA-N 1 2 368.275 2.582 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cc(OC)ccn2)[C@H]1CC ZINC001087682789 968592558 /nfs/dbraw/zinc/59/25/58/968592558.db2.gz RURBVQKIQINWAI-DZGCQCFKSA-N 1 2 368.275 2.582 20 30 FFEDLO CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)cc1C#N ZINC001176967241 1013816120 /nfs/dbraw/zinc/81/61/20/1013816120.db2.gz HTZMVTWPLQJYRI-HNNXBMFYSA-N 1 2 363.421 2.767 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccnnc2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087738896 968821812 /nfs/dbraw/zinc/82/18/12/968821812.db2.gz ZQCOTWKKKFZWSN-RBUKOAKNSA-N 1 2 368.868 2.764 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccnnc2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087738896 968821818 /nfs/dbraw/zinc/82/18/18/968821818.db2.gz ZQCOTWKKKFZWSN-RBUKOAKNSA-N 1 2 368.868 2.764 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cccnn2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087770593 968979183 /nfs/dbraw/zinc/97/91/83/968979183.db2.gz MZDXLFPJDJLJEV-PKOBYXMFSA-N 1 2 368.868 2.764 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cccnn2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087770593 968979191 /nfs/dbraw/zinc/97/91/91/968979191.db2.gz MZDXLFPJDJLJEV-PKOBYXMFSA-N 1 2 368.868 2.764 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2coc(C3CCOCC3)n2)[C@H]1CC ZINC001087787989 969052232 /nfs/dbraw/zinc/05/22/32/969052232.db2.gz ZXFLQNPBAHYUMI-GOEBONIOSA-N 1 2 367.877 2.904 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2coc(C3CCOCC3)n2)[C@H]1CC ZINC001087787989 969052240 /nfs/dbraw/zinc/05/22/40/969052240.db2.gz ZXFLQNPBAHYUMI-GOEBONIOSA-N 1 2 367.877 2.904 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001024653283 969229851 /nfs/dbraw/zinc/22/98/51/969229851.db2.gz DIXGJACSANHPHI-BJZITVGISA-N 1 2 359.445 2.593 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001024653283 969229860 /nfs/dbraw/zinc/22/98/60/969229860.db2.gz DIXGJACSANHPHI-BJZITVGISA-N 1 2 359.445 2.593 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cn1 ZINC001024707370 969267189 /nfs/dbraw/zinc/26/71/89/969267189.db2.gz MLSLIGBEPCFWPR-QYZOEREBSA-N 1 2 361.461 2.673 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(F)cn1 ZINC001024707370 969267196 /nfs/dbraw/zinc/26/71/96/969267196.db2.gz MLSLIGBEPCFWPR-QYZOEREBSA-N 1 2 361.461 2.673 20 30 FFEDLO C=C[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(C)no1)C2)c1ccccc1 ZINC001112001505 969884033 /nfs/dbraw/zinc/88/40/33/969884033.db2.gz ZVVPQHXVUAGBKR-WFXMLNOXSA-N 1 2 366.465 2.819 20 30 FFEDLO C=C[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(C)no1)C2)c1ccccc1 ZINC001112001505 969884038 /nfs/dbraw/zinc/88/40/38/969884038.db2.gz ZVVPQHXVUAGBKR-WFXMLNOXSA-N 1 2 366.465 2.819 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=C)Br)[C@@H]2CC)cn1 ZINC001087802224 970300805 /nfs/dbraw/zinc/30/08/05/970300805.db2.gz DNGUWSUTEODGGM-JKSUJKDBSA-N 1 2 362.271 2.554 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=C)Br)[C@@H]2CC)cn1 ZINC001087802224 970300812 /nfs/dbraw/zinc/30/08/12/970300812.db2.gz DNGUWSUTEODGGM-JKSUJKDBSA-N 1 2 362.271 2.554 20 30 FFEDLO C=CCCC(C)(C)CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000875135095 1013976475 /nfs/dbraw/zinc/97/64/75/1013976475.db2.gz OZHGIXMRKAKHRC-UHFFFAOYSA-N 1 2 354.454 2.597 20 30 FFEDLO Cc1cc(F)ccc1N(CC#N)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000875980595 1014103289 /nfs/dbraw/zinc/10/32/89/1014103289.db2.gz BJPAGNDCBOBYBD-UHFFFAOYSA-N 1 2 369.444 2.636 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001087420805 974506707 /nfs/dbraw/zinc/50/67/07/974506707.db2.gz WWKZSFZCUKKXMY-RTBURBONSA-N 1 2 371.868 2.660 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001087420805 974506713 /nfs/dbraw/zinc/50/67/13/974506713.db2.gz WWKZSFZCUKKXMY-RTBURBONSA-N 1 2 371.868 2.660 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(C)on2)C1 ZINC001027608192 975017645 /nfs/dbraw/zinc/01/76/45/975017645.db2.gz OLBQOGNPQTVFOM-QYZOEREBSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cc(C)on2)C1 ZINC001027608192 975017650 /nfs/dbraw/zinc/01/76/50/975017650.db2.gz OLBQOGNPQTVFOM-QYZOEREBSA-N 1 2 361.486 2.777 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000667087122 975809081 /nfs/dbraw/zinc/80/90/81/975809081.db2.gz GQRFXSUIUPQARS-KRWDZBQOSA-N 1 2 364.449 2.898 20 30 FFEDLO COc1ccc(OC)c2c1C[N@H+](Cc1cc(C#N)ccc1N(C)C)C[C@H]2O ZINC000876551506 1014299702 /nfs/dbraw/zinc/29/97/02/1014299702.db2.gz VJMINVZHZQIVLS-GOSISDBHSA-N 1 2 367.449 2.691 20 30 FFEDLO COc1ccc(OC)c2c1C[N@@H+](Cc1cc(C#N)ccc1N(C)C)C[C@H]2O ZINC000876551506 1014299708 /nfs/dbraw/zinc/29/97/08/1014299708.db2.gz VJMINVZHZQIVLS-GOSISDBHSA-N 1 2 367.449 2.691 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981186459 976311013 /nfs/dbraw/zinc/31/10/13/976311013.db2.gz SCYWBAUETPJBAU-RTWAWAEBSA-N 1 2 370.468 2.693 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981186459 976311025 /nfs/dbraw/zinc/31/10/25/976311025.db2.gz SCYWBAUETPJBAU-RTWAWAEBSA-N 1 2 370.468 2.693 20 30 FFEDLO Cc1nc(CN2CC[NH+](Cc3cc(C#N)ccc3N(C)C)CC2)oc1C ZINC000876688827 1014352381 /nfs/dbraw/zinc/35/23/81/1014352381.db2.gz WIXKOZQBVXLFSH-UHFFFAOYSA-N 1 2 353.470 2.547 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1c(Cl)cccc1OC ZINC001268251320 977289238 /nfs/dbraw/zinc/28/92/38/977289238.db2.gz LWKRCQSKXZFJIF-PBHICJAKSA-N 1 2 366.889 2.830 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1c(Cl)cccc1OC ZINC001268251320 977289247 /nfs/dbraw/zinc/28/92/47/977289247.db2.gz LWKRCQSKXZFJIF-PBHICJAKSA-N 1 2 366.889 2.830 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@H]21 ZINC001075616501 977324584 /nfs/dbraw/zinc/32/45/84/977324584.db2.gz VEZCLOKSBHUSLO-QIIPPGSGSA-N 1 2 368.412 2.673 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@H]21 ZINC001075616501 977324591 /nfs/dbraw/zinc/32/45/91/977324591.db2.gz VEZCLOKSBHUSLO-QIIPPGSGSA-N 1 2 368.412 2.673 20 30 FFEDLO C=CCCn1cc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)nn1 ZINC000653595211 1014387402 /nfs/dbraw/zinc/38/74/02/1014387402.db2.gz ZRKXEVAGTRZHCQ-UHFFFAOYSA-N 1 2 362.481 2.852 20 30 FFEDLO Cc1ncccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088827878 977346882 /nfs/dbraw/zinc/34/68/82/977346882.db2.gz NCRJMGJKVCSRRS-KUHUBIRLSA-N 1 2 352.413 2.794 20 30 FFEDLO Cc1ncccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088827878 977346884 /nfs/dbraw/zinc/34/68/84/977346884.db2.gz NCRJMGJKVCSRRS-KUHUBIRLSA-N 1 2 352.413 2.794 20 30 FFEDLO CCOc1ccnc(N2CCC[N@H+](Cc3cc(C#N)cnc3Cl)CC2)n1 ZINC000876807805 1014399984 /nfs/dbraw/zinc/39/99/84/1014399984.db2.gz KOEBCLDADUIRTK-UHFFFAOYSA-N 1 2 372.860 2.508 20 30 FFEDLO CCOc1ccnc(N2CCC[N@@H+](Cc3cc(C#N)cnc3Cl)CC2)n1 ZINC000876807805 1014399998 /nfs/dbraw/zinc/39/99/98/1014399998.db2.gz KOEBCLDADUIRTK-UHFFFAOYSA-N 1 2 372.860 2.508 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cc(C)sn2)C1 ZINC001087454788 977768675 /nfs/dbraw/zinc/76/86/75/977768675.db2.gz JBPDXZKHBRPAQB-SJLPKXTDSA-N 1 2 357.454 2.812 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cc(C)sn2)C1 ZINC001087454788 977768680 /nfs/dbraw/zinc/76/86/80/977768680.db2.gz JBPDXZKHBRPAQB-SJLPKXTDSA-N 1 2 357.454 2.812 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)CCC(C)C ZINC001211838351 978284330 /nfs/dbraw/zinc/28/43/30/978284330.db2.gz ONNQWLONXPNXMA-RTBURBONSA-N 1 2 362.901 2.943 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)CCC(C)C ZINC001211838351 978284334 /nfs/dbraw/zinc/28/43/34/978284334.db2.gz ONNQWLONXPNXMA-RTBURBONSA-N 1 2 362.901 2.943 20 30 FFEDLO C=CCN(C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)[C@H](C)COC ZINC000664252187 978440123 /nfs/dbraw/zinc/44/01/23/978440123.db2.gz IYZISQVCISAIBV-SJLPKXTDSA-N 1 2 356.470 2.936 20 30 FFEDLO COc1c(C)c[nH+]c(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1C ZINC000877340647 1014554895 /nfs/dbraw/zinc/55/48/95/1014554895.db2.gz LFDHASMYEYRRLM-GOEBONIOSA-N 1 2 360.458 2.556 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)c4nc(CC)no4)C[C@H]32)CC1 ZINC001076209626 979227405 /nfs/dbraw/zinc/22/74/05/979227405.db2.gz AMEXWDHSDHJUMC-HYVNUMGLSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)c4nc(CC)no4)C[C@H]32)CC1 ZINC001076209626 979227410 /nfs/dbraw/zinc/22/74/10/979227410.db2.gz AMEXWDHSDHJUMC-HYVNUMGLSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCCOC3)[C@@H]2C1 ZINC001076409919 979465773 /nfs/dbraw/zinc/46/57/73/979465773.db2.gz XZCDIGCHXYMSGY-OWCLPIDISA-N 1 2 371.319 2.635 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCCOC3)[C@@H]2C1 ZINC001076409919 979465775 /nfs/dbraw/zinc/46/57/75/979465775.db2.gz XZCDIGCHXYMSGY-OWCLPIDISA-N 1 2 371.319 2.635 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ncoc4C(C)C)C[C@H]32)cn1 ZINC001076477003 979557077 /nfs/dbraw/zinc/55/70/77/979557077.db2.gz LRTCOJWQEBZIOH-QFBILLFUSA-N 1 2 364.449 2.521 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ncoc4C(C)C)C[C@H]32)cn1 ZINC001076477003 979557086 /nfs/dbraw/zinc/55/70/86/979557086.db2.gz LRTCOJWQEBZIOH-QFBILLFUSA-N 1 2 364.449 2.521 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)Nc3ccc(O)cc3)[C@@H]2C)CC1 ZINC001088836005 979846180 /nfs/dbraw/zinc/84/61/80/979846180.db2.gz ZNCDNRZNQKEYCE-BEFAXECRSA-N 1 2 371.481 2.656 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)Nc3ccc(O)cc3)[C@@H]2C)CC1 ZINC001088836005 979846189 /nfs/dbraw/zinc/84/61/89/979846189.db2.gz ZNCDNRZNQKEYCE-BEFAXECRSA-N 1 2 371.481 2.656 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001077370461 980137363 /nfs/dbraw/zinc/13/73/63/980137363.db2.gz ULFQWNWWHQDQEB-NCXUSEDFSA-N 1 2 374.912 2.535 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001077370461 980137368 /nfs/dbraw/zinc/13/73/68/980137368.db2.gz ULFQWNWWHQDQEB-NCXUSEDFSA-N 1 2 374.912 2.535 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)co1 ZINC001088533278 980459410 /nfs/dbraw/zinc/45/94/10/980459410.db2.gz KCCINMCPLZNCDY-WBMJQRKESA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)co1 ZINC001088533278 980459417 /nfs/dbraw/zinc/45/94/17/980459417.db2.gz KCCINMCPLZNCDY-WBMJQRKESA-N 1 2 356.401 2.641 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCCCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000987150908 980534117 /nfs/dbraw/zinc/53/41/17/980534117.db2.gz GHESZSPLXKQCMX-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCCCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000987150908 980534122 /nfs/dbraw/zinc/53/41/22/980534122.db2.gz GHESZSPLXKQCMX-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2noc3c2CCCC3)[C@@H]1C ZINC001088575732 981225889 /nfs/dbraw/zinc/22/58/89/981225889.db2.gz DEJPPTNNSWLCOI-NWGLXNPWSA-N 1 2 373.497 2.614 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2noc3c2CCCC3)[C@@H]1C ZINC001088575732 981225893 /nfs/dbraw/zinc/22/58/93/981225893.db2.gz DEJPPTNNSWLCOI-NWGLXNPWSA-N 1 2 373.497 2.614 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)[C@@H]1C ZINC001088575901 981228558 /nfs/dbraw/zinc/22/85/58/981228558.db2.gz MQYNJHZLOCFPST-SIXLDLHFSA-N 1 2 363.889 2.795 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)[C@@H]1C ZINC001088575901 981228561 /nfs/dbraw/zinc/22/85/61/981228561.db2.gz MQYNJHZLOCFPST-SIXLDLHFSA-N 1 2 363.889 2.795 20 30 FFEDLO N#Cc1ccc(CC(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cn1 ZINC000907809645 981298905 /nfs/dbraw/zinc/29/89/05/981298905.db2.gz LUWPYASPVXGBIL-INIZCTEOSA-N 1 2 363.465 2.940 20 30 FFEDLO N#Cc1ccc(CC(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cn1 ZINC000907809645 981298907 /nfs/dbraw/zinc/29/89/07/981298907.db2.gz LUWPYASPVXGBIL-INIZCTEOSA-N 1 2 363.465 2.940 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)CCC1CCC1 ZINC001212099314 981643875 /nfs/dbraw/zinc/64/38/75/981643875.db2.gz ZWGMOPUSMYGLPW-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)CCC1CCC1 ZINC001212099314 981643878 /nfs/dbraw/zinc/64/38/78/981643878.db2.gz ZWGMOPUSMYGLPW-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncc(F)cc2F)CC[N@@H+]1Cc1ccccc1C#N ZINC001088664119 982244635 /nfs/dbraw/zinc/24/46/35/982244635.db2.gz JBECKKFZIXRCNJ-PXAZEXFGSA-N 1 2 356.376 2.624 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncc(F)cc2F)CC[N@H+]1Cc1ccccc1C#N ZINC001088664119 982244643 /nfs/dbraw/zinc/24/46/43/982244643.db2.gz JBECKKFZIXRCNJ-PXAZEXFGSA-N 1 2 356.376 2.624 20 30 FFEDLO Cc1c(Cl)cccc1N1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000898360494 982681608 /nfs/dbraw/zinc/68/16/08/982681608.db2.gz AMTHMPKUZHJLDI-UHFFFAOYSA-N 1 2 366.856 2.885 20 30 FFEDLO C#CC[N@@H+](CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C)C1CC1 ZINC000763960364 983995482 /nfs/dbraw/zinc/99/54/82/983995482.db2.gz NCFJYYKXGAQINA-NRFANRHFSA-N 1 2 356.466 2.759 20 30 FFEDLO C#CC[N@H+](CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C)C1CC1 ZINC000763960364 983995485 /nfs/dbraw/zinc/99/54/85/983995485.db2.gz NCFJYYKXGAQINA-NRFANRHFSA-N 1 2 356.466 2.759 20 30 FFEDLO N#Cc1ccc(C2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)CC2)nc1 ZINC000912931526 984150900 /nfs/dbraw/zinc/15/09/00/984150900.db2.gz OJRHRJYIEQMQQN-UHFFFAOYSA-N 1 2 358.405 2.554 20 30 FFEDLO CC(C)c1nnc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@@H](C)C#N)CCC[C@@H]23)s1 ZINC001107336661 984460285 /nfs/dbraw/zinc/46/02/85/984460285.db2.gz PPGNLOQFSPXPNB-PMUMKWKESA-N 1 2 361.515 2.682 20 30 FFEDLO CC(C)c1nnc(C[N@H+]2CC[C@@]3(CNC(=O)[C@@H](C)C#N)CCC[C@@H]23)s1 ZINC001107336661 984460287 /nfs/dbraw/zinc/46/02/87/984460287.db2.gz PPGNLOQFSPXPNB-PMUMKWKESA-N 1 2 361.515 2.682 20 30 FFEDLO CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnc(C(C)(C)C)[nH]1)CC2 ZINC001107393123 984500569 /nfs/dbraw/zinc/50/05/69/984500569.db2.gz HGTRGQMWCXDJSJ-IIBYNOLFSA-N 1 2 371.529 2.622 20 30 FFEDLO CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)CC2 ZINC001107393123 984500573 /nfs/dbraw/zinc/50/05/73/984500573.db2.gz HGTRGQMWCXDJSJ-IIBYNOLFSA-N 1 2 371.529 2.622 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC/C=C/CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107551960 984679866 /nfs/dbraw/zinc/67/98/66/984679866.db2.gz YSKRMWNKOFUVHP-FDRQBBGKSA-N 1 2 356.470 2.728 20 30 FFEDLO Cc1cccc(-c2noc(CO[NH+]=C(N)c3ccc4c(c3)CCO4)n2)c1 ZINC000158230607 984800366 /nfs/dbraw/zinc/80/03/66/984800366.db2.gz AUYPHZGUDIWBDF-UHFFFAOYSA-N 1 2 350.378 2.817 20 30 FFEDLO CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)cn1 ZINC001088891563 985343628 /nfs/dbraw/zinc/34/36/28/985343628.db2.gz BNZDXGRMFOVSAP-KUHUBIRLSA-N 1 2 369.444 2.697 20 30 FFEDLO CCCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)cn1 ZINC001088891563 985343638 /nfs/dbraw/zinc/34/36/38/985343638.db2.gz BNZDXGRMFOVSAP-KUHUBIRLSA-N 1 2 369.444 2.697 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)no1 ZINC001088989068 985778164 /nfs/dbraw/zinc/77/81/64/985778164.db2.gz FHXHJKVHQGTFJL-PXAZEXFGSA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)no1 ZINC001088989068 985778166 /nfs/dbraw/zinc/77/81/66/985778166.db2.gz FHXHJKVHQGTFJL-PXAZEXFGSA-N 1 2 356.401 2.641 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(Cc3nc([C@@H]4C[C@H]4C)no3)CC2)nn1 ZINC000653779190 986490404 /nfs/dbraw/zinc/49/04/04/986490404.db2.gz PIOBPKXZRTXJOE-RHSMWYFYSA-N 1 2 356.474 2.815 20 30 FFEDLO CC(C)c1ccsc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001078221213 987079033 /nfs/dbraw/zinc/07/90/33/987079033.db2.gz MYCNAYYUNGXNFU-QZTJIDSGSA-N 1 2 369.490 2.718 20 30 FFEDLO CC(C)c1ccsc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001078221213 987079042 /nfs/dbraw/zinc/07/90/42/987079042.db2.gz MYCNAYYUNGXNFU-QZTJIDSGSA-N 1 2 369.490 2.718 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001061040504 987251423 /nfs/dbraw/zinc/25/14/23/987251423.db2.gz CXBKYAGPUJLCHI-GVDBMIGSSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001061040504 987251431 /nfs/dbraw/zinc/25/14/31/987251431.db2.gz CXBKYAGPUJLCHI-GVDBMIGSSA-N 1 2 370.497 2.567 20 30 FFEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000761762958 987786171 /nfs/dbraw/zinc/78/61/71/987786171.db2.gz ORNXODHXUZTHAC-HXUWFJFHSA-N 1 2 360.417 2.832 20 30 FFEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000761762958 987786174 /nfs/dbraw/zinc/78/61/74/987786174.db2.gz ORNXODHXUZTHAC-HXUWFJFHSA-N 1 2 360.417 2.832 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC001003763049 988274994 /nfs/dbraw/zinc/27/49/94/988274994.db2.gz JSASLWAEGFNPPH-HKUYNNGSSA-N 1 2 361.486 2.743 20 30 FFEDLO COCC[N@H+](Cc1ccccc1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000763095499 989034270 /nfs/dbraw/zinc/03/42/70/989034270.db2.gz UUVCIGZWZCMTMJ-UHFFFAOYSA-N 1 2 362.433 2.569 20 30 FFEDLO COCC[N@@H+](Cc1ccccc1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000763095499 989034274 /nfs/dbraw/zinc/03/42/74/989034274.db2.gz UUVCIGZWZCMTMJ-UHFFFAOYSA-N 1 2 362.433 2.569 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCCO2)C1 ZINC001098794164 989035404 /nfs/dbraw/zinc/03/54/04/989035404.db2.gz VXRCRPYNDQBOEX-DSKINZAPSA-N 1 2 371.456 2.737 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCCO2)C1 ZINC001098794164 989035409 /nfs/dbraw/zinc/03/54/09/989035409.db2.gz VXRCRPYNDQBOEX-DSKINZAPSA-N 1 2 371.456 2.737 20 30 FFEDLO CCCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001212209036 989099032 /nfs/dbraw/zinc/09/90/32/989099032.db2.gz LHMJFTMNADEZSF-NSISKUIASA-N 1 2 360.473 2.819 20 30 FFEDLO CCCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001212209036 989099034 /nfs/dbraw/zinc/09/90/34/989099034.db2.gz LHMJFTMNADEZSF-NSISKUIASA-N 1 2 360.473 2.819 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2ncc(CC)o2)C1 ZINC001033834126 989746130 /nfs/dbraw/zinc/74/61/30/989746130.db2.gz SYWPWSXQZICBNR-JQHSSLGASA-N 1 2 361.486 2.641 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ncc(CC)o2)C1 ZINC001033834126 989746136 /nfs/dbraw/zinc/74/61/36/989746136.db2.gz SYWPWSXQZICBNR-JQHSSLGASA-N 1 2 361.486 2.641 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](CNC(=O)c3cccc4[nH+]ccn43)[C@H](C)C2)C1 ZINC000994285162 989898316 /nfs/dbraw/zinc/89/83/16/989898316.db2.gz XCRBGTYZEOXRFS-HZPDHXFCSA-N 1 2 366.465 2.515 20 30 FFEDLO CC(C)CCOC1CC[NH+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000917128728 990150719 /nfs/dbraw/zinc/15/07/19/990150719.db2.gz PFYKCFDGQGUIKU-UHFFFAOYSA-N 1 2 368.481 2.947 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC001034817286 990277595 /nfs/dbraw/zinc/27/75/95/990277595.db2.gz AZQPKKFJLYQCIC-MOPGFXCFSA-N 1 2 355.438 2.562 20 30 FFEDLO CC/C(C)=C\C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001212234211 990415183 /nfs/dbraw/zinc/41/51/83/990415183.db2.gz QUPIAAMYBPSBBU-VIZXMXCYSA-N 1 2 360.885 2.863 20 30 FFEDLO CC/C(C)=C\C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001212234211 990415187 /nfs/dbraw/zinc/41/51/87/990415187.db2.gz QUPIAAMYBPSBBU-VIZXMXCYSA-N 1 2 360.885 2.863 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cccc(C(F)F)c2)C[C@H]1NC(=O)C#CC(C)C ZINC001212240709 990642081 /nfs/dbraw/zinc/64/20/81/990642081.db2.gz BDDQZAIFFOJXJP-IAGOWNOFSA-N 1 2 350.409 2.599 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)C[C@H]1NC(=O)C#CC(C)C ZINC001212240709 990642084 /nfs/dbraw/zinc/64/20/84/990642084.db2.gz BDDQZAIFFOJXJP-IAGOWNOFSA-N 1 2 350.409 2.599 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001005942360 990901012 /nfs/dbraw/zinc/90/10/12/990901012.db2.gz GSBRCPBUJIHNLX-KYJSFNMBSA-N 1 2 364.449 2.781 20 30 FFEDLO CC#CCCCC(=O)NC[C@@H]1CCCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001487133165 990957839 /nfs/dbraw/zinc/95/78/39/990957839.db2.gz MQJIVFOOKPDUHO-RCCFBDPRSA-N 1 2 370.497 2.594 20 30 FFEDLO CC#CCCCC(=O)NC[C@@H]1CCCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001487133165 990957844 /nfs/dbraw/zinc/95/78/44/990957844.db2.gz MQJIVFOOKPDUHO-RCCFBDPRSA-N 1 2 370.497 2.594 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1CC[NH+](Cc2ccon2)CC1 ZINC001483984740 991301196 /nfs/dbraw/zinc/30/11/96/991301196.db2.gz XDSAZVMZFCYXQY-FUHIMQAGSA-N 1 2 353.466 2.703 20 30 FFEDLO C=CCCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001079052449 991318913 /nfs/dbraw/zinc/31/89/13/991318913.db2.gz NYCBSRIFMPGPTH-GVDBMIGSSA-N 1 2 358.486 2.709 20 30 FFEDLO C=CCCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001079052449 991318918 /nfs/dbraw/zinc/31/89/18/991318918.db2.gz NYCBSRIFMPGPTH-GVDBMIGSSA-N 1 2 358.486 2.709 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nccs1 ZINC001089698666 991420056 /nfs/dbraw/zinc/42/00/56/991420056.db2.gz BDJFPERQSMBDRR-OAGGEKHMSA-N 1 2 363.527 2.841 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nccs1 ZINC001089698666 991420061 /nfs/dbraw/zinc/42/00/61/991420061.db2.gz BDJFPERQSMBDRR-OAGGEKHMSA-N 1 2 363.527 2.841 20 30 FFEDLO N#CCOc1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000069305266 991670242 /nfs/dbraw/zinc/67/02/42/991670242.db2.gz OUBYBWHBUFTODV-UHFFFAOYSA-N 1 2 361.405 2.774 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212337646 991725915 /nfs/dbraw/zinc/72/59/15/991725915.db2.gz ZCTALPWUSXHAHK-IAGOWNOFSA-N 1 2 361.873 2.652 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212337646 991725923 /nfs/dbraw/zinc/72/59/23/991725923.db2.gz ZCTALPWUSXHAHK-IAGOWNOFSA-N 1 2 361.873 2.652 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(C)s2)C1 ZINC001079122555 991777675 /nfs/dbraw/zinc/77/76/75/991777675.db2.gz GWOWWQLMFAKYRD-RTBURBONSA-N 1 2 368.502 2.767 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccc(C)s2)C1 ZINC001079122555 991777679 /nfs/dbraw/zinc/77/76/79/991777679.db2.gz GWOWWQLMFAKYRD-RTBURBONSA-N 1 2 368.502 2.767 20 30 FFEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2nc(C)c(C)s2)C1 ZINC001079146796 991803315 /nfs/dbraw/zinc/80/33/15/991803315.db2.gz HOJDNJRXJYRMPB-QZTJIDSGSA-N 1 2 371.506 2.633 20 30 FFEDLO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2nc(C)c(C)s2)C1 ZINC001079146796 991803322 /nfs/dbraw/zinc/80/33/22/991803322.db2.gz HOJDNJRXJYRMPB-QZTJIDSGSA-N 1 2 371.506 2.633 20 30 FFEDLO CCc1ncsc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001079812978 992443937 /nfs/dbraw/zinc/44/39/37/992443937.db2.gz JRQDYDQKEUQGJM-CXAGYDPISA-N 1 2 354.479 2.827 20 30 FFEDLO CCc1ncsc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001079812978 992443942 /nfs/dbraw/zinc/44/39/42/992443942.db2.gz JRQDYDQKEUQGJM-CXAGYDPISA-N 1 2 354.479 2.827 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ncccn3)C[C@H]2C)cc1 ZINC001079978129 992638884 /nfs/dbraw/zinc/63/88/84/992638884.db2.gz XSLHPSBKTXAJJA-JTDSTZFVSA-N 1 2 366.465 2.853 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ncccn3)C[C@H]2C)cc1 ZINC001079978129 992638889 /nfs/dbraw/zinc/63/88/89/992638889.db2.gz XSLHPSBKTXAJJA-JTDSTZFVSA-N 1 2 366.465 2.853 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)n(C)n3)C[C@H]2C)cc1 ZINC001079978193 992639876 /nfs/dbraw/zinc/63/98/76/992639876.db2.gz ZXOVWKHUGSWOMO-FOIQADDNSA-N 1 2 368.481 2.544 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)n(C)n3)C[C@H]2C)cc1 ZINC001079978193 992639880 /nfs/dbraw/zinc/63/98/80/992639880.db2.gz ZXOVWKHUGSWOMO-FOIQADDNSA-N 1 2 368.481 2.544 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3noc4c3CCCC4)C[C@H]2C)cc1 ZINC001080244889 992868802 /nfs/dbraw/zinc/86/88/02/992868802.db2.gz QMTYSXFGIHOGSC-DNVCBOLYSA-N 1 2 363.461 2.785 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3noc4c3CCCC4)C[C@H]2C)cc1 ZINC001080244889 992868807 /nfs/dbraw/zinc/86/88/07/992868807.db2.gz QMTYSXFGIHOGSC-DNVCBOLYSA-N 1 2 363.461 2.785 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(=O)Nc3ccccc3CC)C[C@H]2C)C1 ZINC001080404489 993032515 /nfs/dbraw/zinc/03/25/15/993032515.db2.gz KHQUMCDDCWIGQX-VQIMIIECSA-N 1 2 369.509 2.980 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3CC)C[C@H]2C)C1 ZINC001080404489 993032523 /nfs/dbraw/zinc/03/25/23/993032523.db2.gz KHQUMCDDCWIGQX-VQIMIIECSA-N 1 2 369.509 2.980 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ocnc1C1CC1 ZINC001080438066 993055534 /nfs/dbraw/zinc/05/55/34/993055534.db2.gz CLCNHZBHOMJLFS-CXAGYDPISA-N 1 2 350.422 2.674 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ocnc1C1CC1 ZINC001080438066 993055540 /nfs/dbraw/zinc/05/55/40/993055540.db2.gz CLCNHZBHOMJLFS-CXAGYDPISA-N 1 2 350.422 2.674 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3c2OCCCO3)C1 ZINC001080670884 993261087 /nfs/dbraw/zinc/26/10/87/993261087.db2.gz GRSVXSUQFAZZAL-IUODEOHRSA-N 1 2 350.846 2.651 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3c2OCCCO3)C1 ZINC001080670884 993261089 /nfs/dbraw/zinc/26/10/89/993261089.db2.gz GRSVXSUQFAZZAL-IUODEOHRSA-N 1 2 350.846 2.651 20 30 FFEDLO CCCc1nc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)co1 ZINC001080775743 993354790 /nfs/dbraw/zinc/35/47/90/993354790.db2.gz YSRYPPJBVULNIZ-CRAIPNDOSA-N 1 2 369.440 2.868 20 30 FFEDLO CCCc1nc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)co1 ZINC001080775743 993354791 /nfs/dbraw/zinc/35/47/91/993354791.db2.gz YSRYPPJBVULNIZ-CRAIPNDOSA-N 1 2 369.440 2.868 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001081158877 993707503 /nfs/dbraw/zinc/70/75/03/993707503.db2.gz YRFJRXPSXIZNDU-DLBZAZTESA-N 1 2 368.481 2.928 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)[C@@H](C)C1CC1 ZINC001081500223 993855029 /nfs/dbraw/zinc/85/50/29/993855029.db2.gz MTADKOUDUCCKPQ-GDIGMMSISA-N 1 2 360.885 2.553 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)[C@@H](C)C1CC1 ZINC001081500223 993855039 /nfs/dbraw/zinc/85/50/39/993855039.db2.gz MTADKOUDUCCKPQ-GDIGMMSISA-N 1 2 360.885 2.553 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3Cl)C[C@H]2OC)cc1 ZINC001082012848 994108549 /nfs/dbraw/zinc/10/85/49/994108549.db2.gz MMMVGPOHIUHSCP-WOJBJXKFSA-N 1 2 368.864 2.951 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@H]2OC)cc1 ZINC001082012848 994108560 /nfs/dbraw/zinc/10/85/60/994108560.db2.gz MMMVGPOHIUHSCP-WOJBJXKFSA-N 1 2 368.864 2.951 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1CC12CCCC2 ZINC001082302185 994347296 /nfs/dbraw/zinc/34/72/96/994347296.db2.gz CJJMRKDNALJIIC-VAMGGRTRSA-N 1 2 370.468 2.573 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1CC12CCCC2 ZINC001082302185 994347302 /nfs/dbraw/zinc/34/73/02/994347302.db2.gz CJJMRKDNALJIIC-VAMGGRTRSA-N 1 2 370.468 2.573 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cc(C)cc(C)c1 ZINC001082344348 994398212 /nfs/dbraw/zinc/39/82/12/994398212.db2.gz IDFGIWVPJBIFQL-RTBURBONSA-N 1 2 369.490 2.866 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cc(C)cc(C)c1 ZINC001082344348 994398220 /nfs/dbraw/zinc/39/82/20/994398220.db2.gz IDFGIWVPJBIFQL-RTBURBONSA-N 1 2 369.490 2.866 20 30 FFEDLO CCc1ccsc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001082382734 994497229 /nfs/dbraw/zinc/49/72/29/994497229.db2.gz QZDLLABVNVWHOU-QZTJIDSGSA-N 1 2 369.490 2.811 20 30 FFEDLO CCc1ccsc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001082382734 994497233 /nfs/dbraw/zinc/49/72/33/994497233.db2.gz QZDLLABVNVWHOU-QZTJIDSGSA-N 1 2 369.490 2.811 20 30 FFEDLO C#Cc1ccc(C[N@@H+](Cc2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000809540071 994535541 /nfs/dbraw/zinc/53/55/41/994535541.db2.gz JMTSFHLFSVKKJQ-HXUWFJFHSA-N 1 2 369.486 2.866 20 30 FFEDLO C#Cc1ccc(C[N@H+](Cc2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000809540071 994535552 /nfs/dbraw/zinc/53/55/52/994535552.db2.gz JMTSFHLFSVKKJQ-HXUWFJFHSA-N 1 2 369.486 2.866 20 30 FFEDLO N#CC[C@@H](O)C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000809572090 994541171 /nfs/dbraw/zinc/54/11/71/994541171.db2.gz IWLLVONBHDKWGJ-HXUWFJFHSA-N 1 2 371.431 2.946 20 30 FFEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3cc(O)cc(C#N)c3)CC2)cc1 ZINC000809695049 994571983 /nfs/dbraw/zinc/57/19/83/994571983.db2.gz YIJDRRXJUKHISB-UHFFFAOYSA-N 1 2 364.449 2.729 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C4CCC4)no3)C2)cc1 ZINC001082678612 995255787 /nfs/dbraw/zinc/25/57/87/995255787.db2.gz IJGSOOHEPLSPBJ-RDTXWAMCSA-N 1 2 364.449 2.569 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC001082722123 995355189 /nfs/dbraw/zinc/35/51/89/995355189.db2.gz YXFAUOXXWBEZRM-BLIXFSHQSA-N 1 2 367.497 2.806 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC001082722916 995357834 /nfs/dbraw/zinc/35/78/34/995357834.db2.gz NHTJXZMIFXKBPZ-MUKKUYKPSA-N 1 2 358.442 2.868 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170690967 995574956 /nfs/dbraw/zinc/57/49/56/995574956.db2.gz VVHIRYKJGPIZSO-BEFAXECRSA-N 1 2 374.435 2.753 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170690967 995574958 /nfs/dbraw/zinc/57/49/58/995574958.db2.gz VVHIRYKJGPIZSO-BEFAXECRSA-N 1 2 374.435 2.753 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C3)c1 ZINC001098011158 1015967448 /nfs/dbraw/zinc/96/74/48/1015967448.db2.gz UOEVANLEHKVPLI-DSJDWBEOSA-N 1 2 353.441 2.965 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C3)c1 ZINC001098011158 1015967455 /nfs/dbraw/zinc/96/74/55/1015967455.db2.gz UOEVANLEHKVPLI-DSJDWBEOSA-N 1 2 353.441 2.965 20 30 FFEDLO O=C(/C=C\C1CC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC001083034295 996031643 /nfs/dbraw/zinc/03/16/43/996031643.db2.gz WRCHIVDOVKUVRR-MITRTKIPSA-N 1 2 370.880 2.569 20 30 FFEDLO O=C(/C=C\C1CC1)N1CCO[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC001083034295 996031647 /nfs/dbraw/zinc/03/16/47/996031647.db2.gz WRCHIVDOVKUVRR-MITRTKIPSA-N 1 2 370.880 2.569 20 30 FFEDLO O=C(C[C@H]1C=CCCC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083118212 996066917 /nfs/dbraw/zinc/06/69/17/996066917.db2.gz XPPXPIPYACYUSH-FDFHNCONSA-N 1 2 364.489 2.696 20 30 FFEDLO O=C(C[C@H]1C=CCCC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083118212 996066919 /nfs/dbraw/zinc/06/69/19/996066919.db2.gz XPPXPIPYACYUSH-FDFHNCONSA-N 1 2 364.489 2.696 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](Cc1cccnc1)C2 ZINC001054282032 1016016679 /nfs/dbraw/zinc/01/66/79/1016016679.db2.gz MWTYPDSQAPRMLP-RTWAWAEBSA-N 1 2 363.461 2.805 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@H+](Cc1cccnc1)C2 ZINC001054282032 1016016686 /nfs/dbraw/zinc/01/66/86/1016016686.db2.gz MWTYPDSQAPRMLP-RTWAWAEBSA-N 1 2 363.461 2.805 20 30 FFEDLO COc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1C#N ZINC000880874333 1016013706 /nfs/dbraw/zinc/01/37/06/1016013706.db2.gz WTVYKWHRGVNUTL-UHFFFAOYSA-N 1 2 351.410 2.884 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4cccc(Cl)c4)C[C@H]32)[nH]n1 ZINC001084214413 996300554 /nfs/dbraw/zinc/30/05/54/996300554.db2.gz OSBXKHUJGQAMAN-VQIMIIECSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4cccc(Cl)c4)C[C@H]32)[nH]n1 ZINC001084214413 996300556 /nfs/dbraw/zinc/30/05/56/996300556.db2.gz OSBXKHUJGQAMAN-VQIMIIECSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4cccc(Cl)c4)C[C@H]32)n[nH]1 ZINC001084214413 996300559 /nfs/dbraw/zinc/30/05/59/996300559.db2.gz OSBXKHUJGQAMAN-VQIMIIECSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4cccc(Cl)c4)C[C@H]32)n[nH]1 ZINC001084214413 996300563 /nfs/dbraw/zinc/30/05/63/996300563.db2.gz OSBXKHUJGQAMAN-VQIMIIECSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)cn1 ZINC001084191478 996324785 /nfs/dbraw/zinc/32/47/85/996324785.db2.gz NPGVASHZALQCFF-UYAOXDASSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)cn1 ZINC001084191478 996324791 /nfs/dbraw/zinc/32/47/91/996324791.db2.gz NPGVASHZALQCFF-UYAOXDASSA-N 1 2 364.424 2.747 20 30 FFEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@H]21 ZINC001084233015 996382911 /nfs/dbraw/zinc/38/29/11/996382911.db2.gz PZLANEOVMWHMMU-YSVLISHTSA-N 1 2 368.412 2.673 20 30 FFEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@H]21 ZINC001084233015 996382915 /nfs/dbraw/zinc/38/29/15/996382915.db2.gz PZLANEOVMWHMMU-YSVLISHTSA-N 1 2 368.412 2.673 20 30 FFEDLO Cc1nscc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084293729 996398816 /nfs/dbraw/zinc/39/88/16/996398816.db2.gz VEZLZSJDGJQADU-SJLPKXTDSA-N 1 2 352.463 2.670 20 30 FFEDLO Cc1nscc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084293729 996398821 /nfs/dbraw/zinc/39/88/21/996398821.db2.gz VEZLZSJDGJQADU-SJLPKXTDSA-N 1 2 352.463 2.670 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cncc(F)c4)[C@@H]3C2)c(F)c1 ZINC001084274664 996420611 /nfs/dbraw/zinc/42/06/11/996420611.db2.gz YSNRZUDIXPGZFC-DNVCBOLYSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cncc(F)c4)[C@@H]3C2)c(F)c1 ZINC001084274664 996420613 /nfs/dbraw/zinc/42/06/13/996420613.db2.gz YSNRZUDIXPGZFC-DNVCBOLYSA-N 1 2 368.387 2.578 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)ns1 ZINC001084309097 996440771 /nfs/dbraw/zinc/44/07/71/996440771.db2.gz UTOWHQSJOBOQKV-CRAIPNDOSA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)ns1 ZINC001084309097 996440778 /nfs/dbraw/zinc/44/07/78/996440778.db2.gz UTOWHQSJOBOQKV-CRAIPNDOSA-N 1 2 370.453 2.809 20 30 FFEDLO O=C(N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21)C1(C(F)F)CC1 ZINC001084342156 996462123 /nfs/dbraw/zinc/46/21/23/996462123.db2.gz MIILICLUBHWIGH-NVXWUHKLSA-N 1 2 362.395 2.755 20 30 FFEDLO O=C(N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21)C1(C(F)F)CC1 ZINC001084342156 996462125 /nfs/dbraw/zinc/46/21/25/996462125.db2.gz MIILICLUBHWIGH-NVXWUHKLSA-N 1 2 362.395 2.755 20 30 FFEDLO CCc1ccnc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)c1 ZINC001084366219 996491343 /nfs/dbraw/zinc/49/13/43/996491343.db2.gz FQCCSDQPJOAHGT-TZIWHRDSSA-N 1 2 360.461 2.862 20 30 FFEDLO CCc1ccnc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)c1 ZINC001084366219 996491346 /nfs/dbraw/zinc/49/13/46/996491346.db2.gz FQCCSDQPJOAHGT-TZIWHRDSSA-N 1 2 360.461 2.862 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)COC3CCCCC3)[C@@H]2C1 ZINC001084473594 996558371 /nfs/dbraw/zinc/55/83/71/996558371.db2.gz AVBWFDKSGFRIQF-TZIWHRDSSA-N 1 2 367.493 2.940 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)COC3CCCCC3)[C@@H]2C1 ZINC001084473594 996558375 /nfs/dbraw/zinc/55/83/75/996558375.db2.gz AVBWFDKSGFRIQF-TZIWHRDSSA-N 1 2 367.493 2.940 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@]34CCC[C@H]3OCC4)[C@@H]2C1 ZINC001084512468 996649529 /nfs/dbraw/zinc/64/95/29/996649529.db2.gz QPIWMUKGDAAINS-VMBXEPDQSA-N 1 2 365.477 2.550 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]34CCC[C@H]3OCC4)[C@@H]2C1 ZINC001084512468 996649531 /nfs/dbraw/zinc/64/95/31/996649531.db2.gz QPIWMUKGDAAINS-VMBXEPDQSA-N 1 2 365.477 2.550 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084535031 996655553 /nfs/dbraw/zinc/65/55/53/996655553.db2.gz CUSIYZVCPFMJLY-QOJCHSLYSA-N 1 2 371.456 2.545 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084535031 996655556 /nfs/dbraw/zinc/65/55/56/996655556.db2.gz CUSIYZVCPFMJLY-QOJCHSLYSA-N 1 2 371.456 2.545 20 30 FFEDLO O=C(c1cnco1)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084557921 996677057 /nfs/dbraw/zinc/67/70/57/996677057.db2.gz VMQOPDWDIFDDLU-NVXWUHKLSA-N 1 2 355.825 2.526 20 30 FFEDLO O=C(c1cnco1)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084557921 996677061 /nfs/dbraw/zinc/67/70/61/996677061.db2.gz VMQOPDWDIFDDLU-NVXWUHKLSA-N 1 2 355.825 2.526 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3coc(=O)c4ccccc34)[C@@H]2C1 ZINC001084569080 996682099 /nfs/dbraw/zinc/68/20/99/996682099.db2.gz HAYPFBQVDJWKHZ-CXAGYDPISA-N 1 2 358.825 2.692 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3coc(=O)c4ccccc34)[C@@H]2C1 ZINC001084569080 996682101 /nfs/dbraw/zinc/68/21/01/996682101.db2.gz HAYPFBQVDJWKHZ-CXAGYDPISA-N 1 2 358.825 2.692 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1[nH+]c2ccccn2c1C ZINC001137269722 1016057581 /nfs/dbraw/zinc/05/75/81/1016057581.db2.gz XMRWBTFAYNFPKW-GOSISDBHSA-N 1 2 366.469 2.556 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+](Cc4c(C)nn(C)c4Cl)C[C@H]32)C1 ZINC001084645248 996758227 /nfs/dbraw/zinc/75/82/27/996758227.db2.gz KRLGLMPLKGLCRC-GDBMZVCRSA-N 1 2 362.905 2.771 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](Cc4c(C)nn(C)c4Cl)C[C@H]32)C1 ZINC001084645248 996758229 /nfs/dbraw/zinc/75/82/29/996758229.db2.gz KRLGLMPLKGLCRC-GDBMZVCRSA-N 1 2 362.905 2.771 20 30 FFEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cccc(F)c4F)C[C@H]32)c1 ZINC001084647035 996765950 /nfs/dbraw/zinc/76/59/50/996765950.db2.gz CVYJZAZTTIJLIT-DNVCBOLYSA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(F)c4F)C[C@H]32)c1 ZINC001084647035 996765952 /nfs/dbraw/zinc/76/59/52/996765952.db2.gz CVYJZAZTTIJLIT-DNVCBOLYSA-N 1 2 367.399 2.688 20 30 FFEDLO C=CCOCCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000679487594 1016076705 /nfs/dbraw/zinc/07/67/05/1016076705.db2.gz KBPXKRPRQXHKLC-INIZCTEOSA-N 1 2 369.868 2.945 20 30 FFEDLO C=CCOCCNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000679487594 1016076716 /nfs/dbraw/zinc/07/67/16/1016076716.db2.gz KBPXKRPRQXHKLC-INIZCTEOSA-N 1 2 369.868 2.945 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CCN1Cc1c[nH+]c2c(C)cccn12 ZINC001136962935 997135803 /nfs/dbraw/zinc/13/58/03/997135803.db2.gz FGHUUGGNSDDXAJ-GOSISDBHSA-N 1 2 351.454 2.678 20 30 FFEDLO O=C(c1ncccc1F)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084738893 997160304 /nfs/dbraw/zinc/16/03/04/997160304.db2.gz HMQJEMMYZDFPMX-VQIMIIECSA-N 1 2 367.399 2.558 20 30 FFEDLO O=C(c1ncccc1F)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084738893 997160310 /nfs/dbraw/zinc/16/03/10/997160310.db2.gz HMQJEMMYZDFPMX-VQIMIIECSA-N 1 2 367.399 2.558 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccsc3)[C@@H]2C1 ZINC001084776821 997291090 /nfs/dbraw/zinc/29/10/90/997291090.db2.gz UYQBLLQERAWTSZ-IEBWSBKVSA-N 1 2 367.474 2.731 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccsc3)[C@@H]2C1 ZINC001084776821 997291098 /nfs/dbraw/zinc/29/10/98/997291098.db2.gz UYQBLLQERAWTSZ-IEBWSBKVSA-N 1 2 367.474 2.731 20 30 FFEDLO CCc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)no1 ZINC001084783174 997351702 /nfs/dbraw/zinc/35/17/02/997351702.db2.gz CWZSCRLLXRAZER-SJKOYZFVSA-N 1 2 356.451 2.517 20 30 FFEDLO CCc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)no1 ZINC001084783174 997351713 /nfs/dbraw/zinc/35/17/13/997351713.db2.gz CWZSCRLLXRAZER-SJKOYZFVSA-N 1 2 356.451 2.517 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(OC)c(OC)c3)[C@@H]2C1 ZINC001084808067 997463274 /nfs/dbraw/zinc/46/32/74/997463274.db2.gz WOMGTYOOBCRADA-HUUCEWRRSA-N 1 2 350.846 2.603 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(OC)c(OC)c3)[C@@H]2C1 ZINC001084808067 997463282 /nfs/dbraw/zinc/46/32/82/997463282.db2.gz WOMGTYOOBCRADA-HUUCEWRRSA-N 1 2 350.846 2.603 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(OC)c(OC)c3)[C@@H]2C1 ZINC001084807798 997463348 /nfs/dbraw/zinc/46/33/48/997463348.db2.gz IZWLEKSIKBNNKD-HZPDHXFCSA-N 1 2 364.873 2.532 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(OC)c(OC)c3)[C@@H]2C1 ZINC001084807798 997463351 /nfs/dbraw/zinc/46/33/51/997463351.db2.gz IZWLEKSIKBNNKD-HZPDHXFCSA-N 1 2 364.873 2.532 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccc(OCC)cc3)[C@@H]2C1 ZINC001084813841 997508123 /nfs/dbraw/zinc/50/81/23/997508123.db2.gz ZLYIQLDTSPGVCS-CRAIPNDOSA-N 1 2 364.873 2.749 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc(OCC)cc3)[C@@H]2C1 ZINC001084813841 997508137 /nfs/dbraw/zinc/50/81/37/997508137.db2.gz ZLYIQLDTSPGVCS-CRAIPNDOSA-N 1 2 364.873 2.749 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)c(C)n1 ZINC001084847766 997651737 /nfs/dbraw/zinc/65/17/37/997651737.db2.gz KILIMWUHDAVRGE-TZIWHRDSSA-N 1 2 360.461 2.917 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)c(C)n1 ZINC001084847766 997651744 /nfs/dbraw/zinc/65/17/44/997651744.db2.gz KILIMWUHDAVRGE-TZIWHRDSSA-N 1 2 360.461 2.917 20 30 FFEDLO Cc1nsc(C)c1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084857812 997687961 /nfs/dbraw/zinc/68/79/61/997687961.db2.gz WHRSCDARULRVIV-QZTJIDSGSA-N 1 2 366.490 2.978 20 30 FFEDLO Cc1nsc(C)c1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084857812 997687968 /nfs/dbraw/zinc/68/79/68/997687968.db2.gz WHRSCDARULRVIV-QZTJIDSGSA-N 1 2 366.490 2.978 20 30 FFEDLO CC(C)OC(=O)Cc1nc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)cs1 ZINC000844370305 997811949 /nfs/dbraw/zinc/81/19/49/997811949.db2.gz QUGOAUQFCBRGBB-KRWDZBQOSA-N 1 2 373.478 2.674 20 30 FFEDLO CC(C)OC(=O)Cc1nc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)cs1 ZINC000844370305 997811956 /nfs/dbraw/zinc/81/19/56/997811956.db2.gz QUGOAUQFCBRGBB-KRWDZBQOSA-N 1 2 373.478 2.674 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C)n3C)C[C@@H]21 ZINC001084888054 997863184 /nfs/dbraw/zinc/86/31/84/997863184.db2.gz SWDSIXKUMQIHPR-ZBFHGGJFSA-N 1 2 366.303 2.779 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C)n3C)C[C@@H]21 ZINC001084888054 997863197 /nfs/dbraw/zinc/86/31/97/997863197.db2.gz SWDSIXKUMQIHPR-ZBFHGGJFSA-N 1 2 366.303 2.779 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2(CCC2)CO1 ZINC000844422510 997877991 /nfs/dbraw/zinc/87/79/91/997877991.db2.gz NNMPUXTYPIGJQR-GDBMZVCRSA-N 1 2 362.433 2.867 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2(CCC2)CO1 ZINC000844422510 997878003 /nfs/dbraw/zinc/87/80/03/997878003.db2.gz NNMPUXTYPIGJQR-GDBMZVCRSA-N 1 2 362.433 2.867 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C)nc3)C[C@@H]21 ZINC001084890876 997893456 /nfs/dbraw/zinc/89/34/56/997893456.db2.gz PUHFGARKLXJBBH-ZBFHGGJFSA-N 1 2 364.287 2.835 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C)nc3)C[C@@H]21 ZINC001084890876 997893467 /nfs/dbraw/zinc/89/34/67/997893467.db2.gz PUHFGARKLXJBBH-ZBFHGGJFSA-N 1 2 364.287 2.835 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(-c4cccs4)o3)[C@H]2C1 ZINC001084906711 997987878 /nfs/dbraw/zinc/98/78/78/997987878.db2.gz DSTSVSXAXXLTHX-ZNMIVQPWSA-N 1 2 370.478 2.986 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(-c4cccs4)o3)[C@H]2C1 ZINC001084906711 997987888 /nfs/dbraw/zinc/98/78/88/997987888.db2.gz DSTSVSXAXXLTHX-ZNMIVQPWSA-N 1 2 370.478 2.986 20 30 FFEDLO Cc1nc(CO[C@@H]2C[N@H+](Cc3cncc(C#N)c3)[C@@H]3CCCO[C@H]23)cs1 ZINC001144080574 997998456 /nfs/dbraw/zinc/99/84/56/997998456.db2.gz QXEHKNHQYKTCHE-QRVBRYPASA-N 1 2 370.478 2.667 20 30 FFEDLO Cc1nc(CO[C@@H]2C[N@@H+](Cc3cncc(C#N)c3)[C@@H]3CCCO[C@H]23)cs1 ZINC001144080574 997998466 /nfs/dbraw/zinc/99/84/66/997998466.db2.gz QXEHKNHQYKTCHE-QRVBRYPASA-N 1 2 370.478 2.667 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(CC#N)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000881148374 1016181234 /nfs/dbraw/zinc/18/12/34/1016181234.db2.gz XVIKJRXROMJCIN-SJLPKXTDSA-N 1 2 371.391 2.993 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(CC#N)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000881148374 1016181240 /nfs/dbraw/zinc/18/12/40/1016181240.db2.gz XVIKJRXROMJCIN-SJLPKXTDSA-N 1 2 371.391 2.993 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001056798940 1016193422 /nfs/dbraw/zinc/19/34/22/1016193422.db2.gz GLUIRIUJGBILCN-AYBZRNKSSA-N 1 2 370.497 2.658 20 30 FFEDLO CCc1cc2c(C[NH+]3CCN([C@@H](C#N)C(C)C)CC3)cc(=O)oc2cc1O ZINC000731846760 998272263 /nfs/dbraw/zinc/27/22/63/998272263.db2.gz NTVLMFSAJLJNRU-SFHVURJKSA-N 1 2 369.465 2.727 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(CC)o3)[C@H]2C1 ZINC001084948869 998272413 /nfs/dbraw/zinc/27/24/13/998272413.db2.gz IRAHAUYUWUPDNP-KGLIPLIRSA-N 1 2 366.893 2.834 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(CC)o3)[C@H]2C1 ZINC001084948869 998272422 /nfs/dbraw/zinc/27/24/22/998272422.db2.gz IRAHAUYUWUPDNP-KGLIPLIRSA-N 1 2 366.893 2.834 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001000072532 1016221910 /nfs/dbraw/zinc/22/19/10/1016221910.db2.gz HLRYJTPEFBMJNG-NQYYFHDYSA-N 1 2 370.497 2.829 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc4n3CCCC4)[C@H]2C1 ZINC001085004867 998651492 /nfs/dbraw/zinc/65/14/92/998651492.db2.gz PLIALPHMALOYKN-SJORKVTESA-N 1 2 371.529 2.640 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc4n3CCCC4)[C@H]2C1 ZINC001085004867 998651493 /nfs/dbraw/zinc/65/14/93/998651493.db2.gz PLIALPHMALOYKN-SJORKVTESA-N 1 2 371.529 2.640 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CCC4)n3C)[C@H]2C1 ZINC001085006406 998659172 /nfs/dbraw/zinc/65/91/72/998659172.db2.gz UZQCTVADQFLDCO-WBVHZDCISA-N 1 2 371.529 2.718 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CCC4)n3C)[C@H]2C1 ZINC001085006406 998659175 /nfs/dbraw/zinc/65/91/75/998659175.db2.gz UZQCTVADQFLDCO-WBVHZDCISA-N 1 2 371.529 2.718 20 30 FFEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)CCCn2cc[nH+]c2)ccc1OC ZINC000733228688 998923779 /nfs/dbraw/zinc/92/37/79/998923779.db2.gz NTMOCCADYRSRQX-INIZCTEOSA-N 1 2 356.426 2.669 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccon1 ZINC001049783729 1016267682 /nfs/dbraw/zinc/26/76/82/1016267682.db2.gz VDUQQRWPBOTBLD-RDGPPVDQSA-N 1 2 359.470 2.611 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccon1 ZINC001049783729 1016267688 /nfs/dbraw/zinc/26/76/88/1016267688.db2.gz VDUQQRWPBOTBLD-RDGPPVDQSA-N 1 2 359.470 2.611 20 30 FFEDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000733797093 999080826 /nfs/dbraw/zinc/08/08/26/999080826.db2.gz PMSGLDGKGMOERB-IRXDYDNUSA-N 1 2 364.449 2.971 20 30 FFEDLO CC(C)C[C@H]1COCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000733797093 999080837 /nfs/dbraw/zinc/08/08/37/999080837.db2.gz PMSGLDGKGMOERB-IRXDYDNUSA-N 1 2 364.449 2.971 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1noc(C)n1 ZINC001085406534 999469844 /nfs/dbraw/zinc/46/98/44/999469844.db2.gz KCDFHELBUZCPSS-NIKGAXFTSA-N 1 2 366.465 2.680 20 30 FFEDLO C#CCCCCCC(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066277228 999576736 /nfs/dbraw/zinc/57/67/36/999576736.db2.gz BZCOSDXJQRGNJQ-RCCFBDPRSA-N 1 2 370.497 2.594 20 30 FFEDLO C#CCCCCCC(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066277228 999576740 /nfs/dbraw/zinc/57/67/40/999576740.db2.gz BZCOSDXJQRGNJQ-RCCFBDPRSA-N 1 2 370.497 2.594 20 30 FFEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001085604582 999592588 /nfs/dbraw/zinc/59/25/88/999592588.db2.gz MAQDUXCQLOAIDB-PCCBWWKXSA-N 1 2 360.461 2.790 20 30 FFEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001085604582 999592591 /nfs/dbraw/zinc/59/25/91/999592591.db2.gz MAQDUXCQLOAIDB-PCCBWWKXSA-N 1 2 360.461 2.790 20 30 FFEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001085831233 999648306 /nfs/dbraw/zinc/64/83/06/999648306.db2.gz WNLBOKHJORWDIV-QHAWAJNXSA-N 1 2 360.461 2.790 20 30 FFEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001085831233 999648307 /nfs/dbraw/zinc/64/83/07/999648307.db2.gz WNLBOKHJORWDIV-QHAWAJNXSA-N 1 2 360.461 2.790 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000739911956 999657648 /nfs/dbraw/zinc/65/76/48/999657648.db2.gz DCUZTJXRKUPLEE-ZYSHUDEJSA-N 1 2 371.481 2.789 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000739911956 999657649 /nfs/dbraw/zinc/65/76/49/999657649.db2.gz DCUZTJXRKUPLEE-ZYSHUDEJSA-N 1 2 371.481 2.789 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085863340 999659210 /nfs/dbraw/zinc/65/92/10/999659210.db2.gz XLIQYHCJUSWFPK-FKBYEOEOSA-N 1 2 366.505 2.942 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085863340 999659214 /nfs/dbraw/zinc/65/92/14/999659214.db2.gz XLIQYHCJUSWFPK-FKBYEOEOSA-N 1 2 366.505 2.942 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC000741146600 999711620 /nfs/dbraw/zinc/71/16/20/999711620.db2.gz NEKYWYBBBBBEAS-SFHVURJKSA-N 1 2 357.454 2.578 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000741146600 999711622 /nfs/dbraw/zinc/71/16/22/999711622.db2.gz NEKYWYBBBBBEAS-SFHVURJKSA-N 1 2 357.454 2.578 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741353869 999723752 /nfs/dbraw/zinc/72/37/52/999723752.db2.gz RDPDBWYKMPUIAY-GHTZIAJQSA-N 1 2 371.481 2.639 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741353869 999723753 /nfs/dbraw/zinc/72/37/53/999723753.db2.gz RDPDBWYKMPUIAY-GHTZIAJQSA-N 1 2 371.481 2.639 20 30 FFEDLO C[NH+](C)c1ccc(N2CCC(=NNS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000741451448 999729026 /nfs/dbraw/zinc/72/90/26/999729026.db2.gz HXYMAPRPZBJREL-UHFFFAOYSA-N 1 2 372.494 2.687 20 30 FFEDLO CCc1ccc(N2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)cc1 ZINC000743868352 999834651 /nfs/dbraw/zinc/83/46/51/999834651.db2.gz VOCRZJPMLOEXKF-UHFFFAOYSA-N 1 2 362.477 2.559 20 30 FFEDLO C#CCN(C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000744812006 999874439 /nfs/dbraw/zinc/87/44/39/999874439.db2.gz AYLHBWMNFBXSCE-NRFANRHFSA-N 1 2 369.509 2.865 20 30 FFEDLO C#CCN(C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000744812006 999874440 /nfs/dbraw/zinc/87/44/40/999874440.db2.gz AYLHBWMNFBXSCE-NRFANRHFSA-N 1 2 369.509 2.865 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CCCCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1 ZINC001049982491 1016370761 /nfs/dbraw/zinc/37/07/61/1016370761.db2.gz WXQKZYHYNHHLDI-BRWVUGGUSA-N 1 2 364.453 2.663 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CCCCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1 ZINC001049982491 1016370770 /nfs/dbraw/zinc/37/07/70/1016370770.db2.gz WXQKZYHYNHHLDI-BRWVUGGUSA-N 1 2 364.453 2.663 20 30 FFEDLO CC[C@H](C1CCOCC1)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000746390557 999985343 /nfs/dbraw/zinc/98/53/43/999985343.db2.gz JQLMALSWDBHBJO-OAHLLOKOSA-N 1 2 368.481 2.851 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001108729547 1000103321 /nfs/dbraw/zinc/10/33/21/1000103321.db2.gz ANONRDYVTMFFME-OWQGQXMQSA-N 1 2 358.486 2.562 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109027944 1000152521 /nfs/dbraw/zinc/15/25/21/1000152521.db2.gz CWVHPUGNIIZOEJ-KGFWFAMKSA-N 1 2 371.456 2.734 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109027944 1000152523 /nfs/dbraw/zinc/15/25/23/1000152523.db2.gz CWVHPUGNIIZOEJ-KGFWFAMKSA-N 1 2 371.456 2.734 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC001109042939 1000154683 /nfs/dbraw/zinc/15/46/83/1000154683.db2.gz GZARAZCAXAHOIG-OAOYMFHYSA-N 1 2 373.472 2.691 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC001109042939 1000154684 /nfs/dbraw/zinc/15/46/84/1000154684.db2.gz GZARAZCAXAHOIG-OAOYMFHYSA-N 1 2 373.472 2.691 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001109038072 1000157239 /nfs/dbraw/zinc/15/72/39/1000157239.db2.gz LGOHPYGRQFSYSO-DBOLQNLKSA-N 1 2 370.468 2.880 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001109038072 1000157240 /nfs/dbraw/zinc/15/72/40/1000157240.db2.gz LGOHPYGRQFSYSO-DBOLQNLKSA-N 1 2 370.468 2.880 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)n1 ZINC001109038687 1000157625 /nfs/dbraw/zinc/15/76/25/1000157625.db2.gz WQBOSXLVOIEWLJ-SIXLDLHFSA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)n1 ZINC001109038687 1000157627 /nfs/dbraw/zinc/15/76/27/1000157627.db2.gz WQBOSXLVOIEWLJ-SIXLDLHFSA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC001109055356 1000160214 /nfs/dbraw/zinc/16/02/14/1000160214.db2.gz ZFGRTQSAYJYNJC-JZGRTCEGSA-N 1 2 371.481 2.710 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC001109055356 1000160216 /nfs/dbraw/zinc/16/02/16/1000160216.db2.gz ZFGRTQSAYJYNJC-JZGRTCEGSA-N 1 2 371.481 2.710 20 30 FFEDLO Cc1oc(-c2ccco2)nc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C#N)C2 ZINC001109088962 1000166229 /nfs/dbraw/zinc/16/62/29/1000166229.db2.gz VTZJRYNAOKYLMX-UYHMYPTGSA-N 1 2 354.410 2.624 20 30 FFEDLO Cc1oc(-c2ccco2)nc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C#N)C2 ZINC001109088962 1000166231 /nfs/dbraw/zinc/16/62/31/1000166231.db2.gz VTZJRYNAOKYLMX-UYHMYPTGSA-N 1 2 354.410 2.624 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1F ZINC001109213611 1000188918 /nfs/dbraw/zinc/18/89/18/1000188918.db2.gz UYIJYIRTGYLWCZ-QSOKESPWSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1F ZINC001109213611 1000188920 /nfs/dbraw/zinc/18/89/20/1000188920.db2.gz UYIJYIRTGYLWCZ-QSOKESPWSA-N 1 2 350.409 2.513 20 30 FFEDLO C#CCC1(C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)CCCCC1 ZINC000846096314 1000207465 /nfs/dbraw/zinc/20/74/65/1000207465.db2.gz VJZYIVOIQHTPBQ-UHFFFAOYSA-N 1 2 353.470 2.619 20 30 FFEDLO CCCn1nccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095477217 1016399484 /nfs/dbraw/zinc/39/94/84/1016399484.db2.gz VOKBCRCVILHSRU-QYZOEREBSA-N 1 2 363.465 2.700 20 30 FFEDLO CCCn1nccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095477217 1016399490 /nfs/dbraw/zinc/39/94/90/1016399490.db2.gz VOKBCRCVILHSRU-QYZOEREBSA-N 1 2 363.465 2.700 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1ccc(C)o1 ZINC001109353721 1000299256 /nfs/dbraw/zinc/29/92/56/1000299256.db2.gz UJTLBDKXFBROQK-NEWSRXKRSA-N 1 2 373.497 2.624 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1ccc(C)o1 ZINC001109353721 1000299259 /nfs/dbraw/zinc/29/92/59/1000299259.db2.gz UJTLBDKXFBROQK-NEWSRXKRSA-N 1 2 373.497 2.624 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)[nH+]c2c1CCCC2 ZINC001091282125 1000366456 /nfs/dbraw/zinc/36/64/56/1000366456.db2.gz XSSZNHOILHIOFH-GDIGMMSISA-N 1 2 370.497 2.541 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2c(C)nn(C)c2Cl)CCC1 ZINC001109391771 1000370325 /nfs/dbraw/zinc/37/03/25/1000370325.db2.gz APRLUNHFXDUNLC-PVAVHDDUSA-N 1 2 374.916 2.797 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2c(C)nn(C)c2Cl)CCC1 ZINC001109391771 1000370330 /nfs/dbraw/zinc/37/03/30/1000370330.db2.gz APRLUNHFXDUNLC-PVAVHDDUSA-N 1 2 374.916 2.797 20 30 FFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(C#N)cc1F ZINC001091298850 1000383797 /nfs/dbraw/zinc/38/37/97/1000383797.db2.gz PIXJCSKOBBESDV-JCURWCKSSA-N 1 2 370.432 2.534 20 30 FFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(C#N)cc1F ZINC001091298850 1000383805 /nfs/dbraw/zinc/38/38/05/1000383805.db2.gz PIXJCSKOBBESDV-JCURWCKSSA-N 1 2 370.432 2.534 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)nn1 ZINC000846834709 1000436397 /nfs/dbraw/zinc/43/63/97/1000436397.db2.gz DHDWSURVHCWCQS-WBVHZDCISA-N 1 2 363.506 2.979 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)nn1 ZINC000846834709 1000436401 /nfs/dbraw/zinc/43/64/01/1000436401.db2.gz DHDWSURVHCWCQS-WBVHZDCISA-N 1 2 363.506 2.979 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COc3ccccc31)C2 ZINC001096657273 1016414666 /nfs/dbraw/zinc/41/46/66/1016414666.db2.gz CDVLRSXIVKCJPW-HZEGPAAWSA-N 1 2 373.456 2.956 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COc3ccccc31)C2 ZINC001096657273 1016414670 /nfs/dbraw/zinc/41/46/70/1016414670.db2.gz CDVLRSXIVKCJPW-HZEGPAAWSA-N 1 2 373.456 2.956 20 30 FFEDLO Cc1nc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001096676903 1016431092 /nfs/dbraw/zinc/43/10/92/1016431092.db2.gz ASOWADWVUJGAEM-SQNIBIBYSA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1nc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001096676903 1016431100 /nfs/dbraw/zinc/43/11/00/1016431100.db2.gz ASOWADWVUJGAEM-SQNIBIBYSA-N 1 2 368.868 2.758 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc2n(n1)CCCC2 ZINC001109627524 1000741011 /nfs/dbraw/zinc/74/10/11/1000741011.db2.gz VXADFIIEDPQUOY-HOJAQTOUSA-N 1 2 354.498 2.635 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc2n(n1)CCCC2 ZINC001109627524 1000741015 /nfs/dbraw/zinc/74/10/15/1000741015.db2.gz VXADFIIEDPQUOY-HOJAQTOUSA-N 1 2 354.498 2.635 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001109632748 1000749046 /nfs/dbraw/zinc/74/90/46/1000749046.db2.gz BANTYMDFIQPKPS-RNQOJCNYSA-N 1 2 369.509 2.973 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001109632748 1000749053 /nfs/dbraw/zinc/74/90/53/1000749053.db2.gz BANTYMDFIQPKPS-RNQOJCNYSA-N 1 2 369.509 2.973 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001109635671 1000760802 /nfs/dbraw/zinc/76/08/02/1000760802.db2.gz NBIPVJCGSKKQSR-LMCOJAPRSA-N 1 2 369.509 2.973 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001109635671 1000760808 /nfs/dbraw/zinc/76/08/08/1000760808.db2.gz NBIPVJCGSKKQSR-LMCOJAPRSA-N 1 2 369.509 2.973 20 30 FFEDLO C=CCCC1(C(=O)NC[C@H]2CC[C@@H](Nc3[nH+]cnc4c3cnn4C)C2)CC1 ZINC001091632586 1000897011 /nfs/dbraw/zinc/89/70/11/1000897011.db2.gz ZMLAYFCXMMUWID-LSDHHAIUSA-N 1 2 368.485 2.807 20 30 FFEDLO C[C@]12CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2 ZINC001091690092 1001086191 /nfs/dbraw/zinc/08/61/91/1001086191.db2.gz HFALRQKDSRMKCY-VYDXJSESSA-N 1 2 369.362 2.739 20 30 FFEDLO C[C@]12CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC001091690092 1001086195 /nfs/dbraw/zinc/08/61/95/1001086195.db2.gz HFALRQKDSRMKCY-VYDXJSESSA-N 1 2 369.362 2.739 20 30 FFEDLO C[C@]12CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2 ZINC001091690092 1001086199 /nfs/dbraw/zinc/08/61/99/1001086199.db2.gz HFALRQKDSRMKCY-VYDXJSESSA-N 1 2 369.362 2.739 20 30 FFEDLO C[C@]12CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC001091690092 1001086203 /nfs/dbraw/zinc/08/62/03/1001086203.db2.gz HFALRQKDSRMKCY-VYDXJSESSA-N 1 2 369.362 2.739 20 30 FFEDLO N#CCn1c(=O)c2ccccc2nc1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000771461946 1001108672 /nfs/dbraw/zinc/10/86/72/1001108672.db2.gz SKDKNJXSKZOKNW-UHFFFAOYSA-N 1 2 373.460 2.770 20 30 FFEDLO Cc1nc(N2CC[C@H](c3ccccc3)[C@H](NC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001091722444 1001138065 /nfs/dbraw/zinc/13/80/65/1001138065.db2.gz BQIGZSBKWHFTIX-WOJBJXKFSA-N 1 2 360.461 2.677 20 30 FFEDLO COCCC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109941387 1001180525 /nfs/dbraw/zinc/18/05/25/1001180525.db2.gz WMWUDIACDBLALT-KTGNWYGMSA-N 1 2 373.472 2.982 20 30 FFEDLO COCCC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109941387 1001180527 /nfs/dbraw/zinc/18/05/27/1001180527.db2.gz WMWUDIACDBLALT-KTGNWYGMSA-N 1 2 373.472 2.982 20 30 FFEDLO CC(C)(CCC#N)c1ccc(C(=O)NCC2([NH+]3CCCC3)COC2)cc1 ZINC001148909820 1001233372 /nfs/dbraw/zinc/23/33/72/1001233372.db2.gz WYECSYFZOTYOHB-UHFFFAOYSA-N 1 2 355.482 2.863 20 30 FFEDLO COCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CCC1 ZINC001110037248 1001350067 /nfs/dbraw/zinc/35/00/67/1001350067.db2.gz LAEWQVOBGWIPOL-AABGKKOBSA-N 1 2 367.493 2.987 20 30 FFEDLO COCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CCC1 ZINC001110037248 1001350074 /nfs/dbraw/zinc/35/00/74/1001350074.db2.gz LAEWQVOBGWIPOL-AABGKKOBSA-N 1 2 367.493 2.987 20 30 FFEDLO C[C@H](c1nc2ccccc2o1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CSCC#N)C2 ZINC001110301014 1001880115 /nfs/dbraw/zinc/88/01/15/1001880115.db2.gz WPRCIMUTFDBYEM-XOUADPBQSA-N 1 2 370.478 2.867 20 30 FFEDLO C[C@H](c1nc2ccccc2o1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CSCC#N)C2 ZINC001110301014 1001880125 /nfs/dbraw/zinc/88/01/25/1001880125.db2.gz WPRCIMUTFDBYEM-XOUADPBQSA-N 1 2 370.478 2.867 20 30 FFEDLO N#CCCCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1csc(Cl)c1)C2 ZINC001276205577 1016536780 /nfs/dbraw/zinc/53/67/80/1016536780.db2.gz OOPFRCYWCRZCBE-QGZVFWFLSA-N 1 2 367.902 2.756 20 30 FFEDLO N#CCCCN1C[C@]2(CC1=O)COCC[N@H+](Cc1csc(Cl)c1)C2 ZINC001276205577 1016536787 /nfs/dbraw/zinc/53/67/87/1016536787.db2.gz OOPFRCYWCRZCBE-QGZVFWFLSA-N 1 2 367.902 2.756 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccnc(Br)c1 ZINC001276212459 1016550852 /nfs/dbraw/zinc/55/08/52/1016550852.db2.gz BRPHQCILXGHHGH-KRWDZBQOSA-N 1 2 364.287 2.987 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccnc(Br)c1 ZINC001276212459 1016550863 /nfs/dbraw/zinc/55/08/63/1016550863.db2.gz BRPHQCILXGHHGH-KRWDZBQOSA-N 1 2 364.287 2.987 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCN(c2ncnc3c2C[N@H+](C)CC3)[C@@H]1CC ZINC001091826980 1001973258 /nfs/dbraw/zinc/97/32/58/1001973258.db2.gz RRPAYKQLMNRTTF-WAOWUJCRSA-N 1 2 371.529 2.540 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCN(c2ncnc3c2C[N@@H+](C)CC3)[C@@H]1CC ZINC001091826980 1001973267 /nfs/dbraw/zinc/97/32/67/1001973267.db2.gz RRPAYKQLMNRTTF-WAOWUJCRSA-N 1 2 371.529 2.540 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccoc1)C2 ZINC001096803180 1016559426 /nfs/dbraw/zinc/55/94/26/1016559426.db2.gz PQBQEIDYDUFACT-KURKYZTESA-N 1 2 351.406 2.695 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccoc1)C2 ZINC001096803180 1016559432 /nfs/dbraw/zinc/55/94/32/1016559432.db2.gz PQBQEIDYDUFACT-KURKYZTESA-N 1 2 351.406 2.695 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CC4)nn3C)C[C@@]2(C)C1 ZINC001091909921 1002061951 /nfs/dbraw/zinc/06/19/51/1002061951.db2.gz DKJZGTUKRGZIIR-IERDGZPVSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CC4)nn3C)C[C@@]2(C)C1 ZINC001091909921 1002061964 /nfs/dbraw/zinc/06/19/64/1002061964.db2.gz DKJZGTUKRGZIIR-IERDGZPVSA-N 1 2 371.529 2.575 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)[C@@H]1C ZINC001091957536 1002166957 /nfs/dbraw/zinc/16/69/57/1002166957.db2.gz JIQVSGLPDXGXDW-QAPCUYQASA-N 1 2 354.498 2.941 20 30 FFEDLO C=C(C)C[C@@H]([NH2+]C1CC2(C[C@H]2NC(=O)OC(C)(C)C)C1)C(=O)OCC ZINC001183551390 1002303033 /nfs/dbraw/zinc/30/30/33/1002303033.db2.gz QTJAZRGORWDCOQ-YYHKSVKZSA-N 1 2 352.475 2.920 20 30 FFEDLO CC(C)C[C@@H](C(=O)N[C@H]1CCN(c2ccncc2C#N)[C@@H]1C)n1cc[nH+]c1 ZINC001092024453 1002303773 /nfs/dbraw/zinc/30/37/73/1002303773.db2.gz QIXDTGAZKSHHKY-AYBZRNKSSA-N 1 2 366.469 2.521 20 30 FFEDLO CC(C)C[C@H](C(=O)N[C@H]1CCN(c2ncccc2C#N)[C@@H]1C)n1cc[nH+]c1 ZINC001092024109 1002304101 /nfs/dbraw/zinc/30/41/01/1002304101.db2.gz GBXDREZVVHTSMW-BPQIPLTHSA-N 1 2 366.469 2.521 20 30 FFEDLO CC(C)C[C@@H](C(=O)N[C@H]1CCN(c2ccc(C#N)nc2)[C@@H]1C)n1cc[nH+]c1 ZINC001092024105 1002304170 /nfs/dbraw/zinc/30/41/70/1002304170.db2.gz GAKZZYDMYWLVFD-MNEFBYGVSA-N 1 2 366.469 2.521 20 30 FFEDLO N#C[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001183610069 1002314747 /nfs/dbraw/zinc/31/47/47/1002314747.db2.gz TUIFZMHAQRNYIE-WIYYLYMNSA-N 1 2 361.445 2.516 20 30 FFEDLO N#C[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001183610069 1002314760 /nfs/dbraw/zinc/31/47/60/1002314760.db2.gz TUIFZMHAQRNYIE-WIYYLYMNSA-N 1 2 361.445 2.516 20 30 FFEDLO C[C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CC1 ZINC001183828237 1002399547 /nfs/dbraw/zinc/39/95/47/1002399547.db2.gz DRSQQSVGUXAFKP-IFMALSPDSA-N 1 2 369.509 2.924 20 30 FFEDLO C[C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)CC1 ZINC001183828237 1002399560 /nfs/dbraw/zinc/39/95/60/1002399560.db2.gz DRSQQSVGUXAFKP-IFMALSPDSA-N 1 2 369.509 2.924 20 30 FFEDLO C#CCCC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)N=N1 ZINC001183839894 1002407006 /nfs/dbraw/zinc/40/70/06/1002407006.db2.gz QHABKQDJFSYBQZ-IBGZPJMESA-N 1 2 363.465 2.995 20 30 FFEDLO C#CCCC1(CCNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)N=N1 ZINC001183839894 1002407007 /nfs/dbraw/zinc/40/70/07/1002407007.db2.gz QHABKQDJFSYBQZ-IBGZPJMESA-N 1 2 363.465 2.995 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)c1ccon1 ZINC001096843733 1016624881 /nfs/dbraw/zinc/62/48/81/1016624881.db2.gz UJUTWMDEJPDXLT-NXHRZFHOSA-N 1 2 355.825 2.715 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)c1ccon1 ZINC001096843733 1016624887 /nfs/dbraw/zinc/62/48/87/1016624887.db2.gz UJUTWMDEJPDXLT-NXHRZFHOSA-N 1 2 355.825 2.715 20 30 FFEDLO N#Cc1ccc(CS(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC000790835117 1002504377 /nfs/dbraw/zinc/50/43/77/1002504377.db2.gz VNJWQQMTBXLXIG-UHFFFAOYSA-N 1 2 370.409 2.503 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cc(C(C)C)ncn2)C1 ZINC001092314901 1002666367 /nfs/dbraw/zinc/66/63/67/1002666367.db2.gz XNWJGXULWCPUSV-NVXWUHKLSA-N 1 2 368.485 2.706 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2nccc(C)n2)C1 ZINC001092315370 1002666715 /nfs/dbraw/zinc/66/67/15/1002666715.db2.gz BCKDVSHRIDZJSM-HZPDHXFCSA-N 1 2 368.485 2.527 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@@]2(C)C1 ZINC001092292890 1002703591 /nfs/dbraw/zinc/70/35/91/1002703591.db2.gz BYLCDIDOUKDJKB-XPIZARPCSA-N 1 2 370.497 2.538 20 30 FFEDLO C=CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC)c1ccccc1 ZINC001110130738 1002717466 /nfs/dbraw/zinc/71/74/66/1002717466.db2.gz BVUUEZHKYIJJOH-FYQPLNBISA-N 1 2 369.509 2.594 20 30 FFEDLO C=CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC)c1ccccc1 ZINC001110130738 1002717476 /nfs/dbraw/zinc/71/74/76/1002717476.db2.gz BVUUEZHKYIJJOH-FYQPLNBISA-N 1 2 369.509 2.594 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)c1cscn1 ZINC001096880289 1016671668 /nfs/dbraw/zinc/67/16/68/1016671668.db2.gz UZXUZEFVFZLJBS-NUJGCVRESA-N 1 2 355.438 2.669 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)c1cscn1 ZINC001096880289 1016671676 /nfs/dbraw/zinc/67/16/76/1016671676.db2.gz UZXUZEFVFZLJBS-NUJGCVRESA-N 1 2 355.438 2.669 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c(C)cnn2C)C1 ZINC001086604560 1002884362 /nfs/dbraw/zinc/88/43/62/1002884362.db2.gz IYQFDZDYNGXWOW-DLBZAZTESA-N 1 2 358.873 2.679 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c(C)cnn2C)C1 ZINC001086604560 1002884380 /nfs/dbraw/zinc/88/43/80/1002884380.db2.gz IYQFDZDYNGXWOW-DLBZAZTESA-N 1 2 358.873 2.679 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)nc1 ZINC001110365979 1003011069 /nfs/dbraw/zinc/01/10/69/1003011069.db2.gz GBTUAAHVIZJQFS-DZUCGIPZSA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)nc1 ZINC001110365979 1003011080 /nfs/dbraw/zinc/01/10/80/1003011080.db2.gz GBTUAAHVIZJQFS-DZUCGIPZSA-N 1 2 363.889 2.938 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@H+]([C@H](C)c2ncc(C)o2)CC1 ZINC001001257068 1016723502 /nfs/dbraw/zinc/72/35/02/1016723502.db2.gz OSBIQHYSDFIQRV-NJAFHUGGSA-N 1 2 359.470 2.774 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@@H+]([C@H](C)c2ncc(C)o2)CC1 ZINC001001257068 1016723507 /nfs/dbraw/zinc/72/35/07/1016723507.db2.gz OSBIQHYSDFIQRV-NJAFHUGGSA-N 1 2 359.470 2.774 20 30 FFEDLO Cc1cccc(C#N)c1S(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC001185900381 1003108831 /nfs/dbraw/zinc/10/88/31/1003108831.db2.gz FXMWYSIOVVSUMV-UHFFFAOYSA-N 1 2 352.419 2.531 20 30 FFEDLO C=CCC(C)(C)C(=O)NCC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC001092590925 1003185050 /nfs/dbraw/zinc/18/50/50/1003185050.db2.gz APPVDYVTQSNLOL-HUUCEWRRSA-N 1 2 370.501 2.544 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)Nc1ccccc1OC ZINC001110378828 1003271791 /nfs/dbraw/zinc/27/17/91/1003271791.db2.gz JOCNXSGKOGDSDF-IDCNUPLLSA-N 1 2 371.481 2.710 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)Nc1ccccc1OC ZINC001110378828 1003271799 /nfs/dbraw/zinc/27/17/99/1003271799.db2.gz JOCNXSGKOGDSDF-IDCNUPLLSA-N 1 2 371.481 2.710 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001095561916 1016760694 /nfs/dbraw/zinc/76/06/94/1016760694.db2.gz GOLLYPSKSQTZLK-LYGKUDJVSA-N 1 2 371.456 2.734 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001095561916 1016760706 /nfs/dbraw/zinc/76/07/06/1016760706.db2.gz GOLLYPSKSQTZLK-LYGKUDJVSA-N 1 2 371.456 2.734 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H](CNc2ncnc3c2C[N@H+](C)CC3)[C@H](C)C1 ZINC001092674634 1003400154 /nfs/dbraw/zinc/40/01/54/1003400154.db2.gz MKIMVYXHFLBBPP-HZPDHXFCSA-N 1 2 371.529 2.573 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H](CNc2ncnc3c2C[N@@H+](C)CC3)[C@H](C)C1 ZINC001092674634 1003400160 /nfs/dbraw/zinc/40/01/60/1003400160.db2.gz MKIMVYXHFLBBPP-HZPDHXFCSA-N 1 2 371.529 2.573 20 30 FFEDLO CC(C)(C)C[C@@H]1CN(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C(=O)O1 ZINC000793592591 1003433208 /nfs/dbraw/zinc/43/32/08/1003433208.db2.gz SIOFEBZTHVGEAZ-HZPDHXFCSA-N 1 2 358.442 2.621 20 30 FFEDLO CC(C)(C)C[C@@H]1CN(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C(=O)O1 ZINC000793592591 1003433214 /nfs/dbraw/zinc/43/32/14/1003433214.db2.gz SIOFEBZTHVGEAZ-HZPDHXFCSA-N 1 2 358.442 2.621 20 30 FFEDLO CC[N@H+](Cc1cnc2ccc(C#N)cn12)C1CN(C(=O)OC(C)(C)C)C1 ZINC000793603687 1003437325 /nfs/dbraw/zinc/43/73/25/1003437325.db2.gz DHRNTVGYMFZBRS-UHFFFAOYSA-N 1 2 355.442 2.647 20 30 FFEDLO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CN(C(=O)OC(C)(C)C)C1 ZINC000793603687 1003437332 /nfs/dbraw/zinc/43/73/32/1003437332.db2.gz DHRNTVGYMFZBRS-UHFFFAOYSA-N 1 2 355.442 2.647 20 30 FFEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@](C(=O)OC)(c3ccccc3)C2)c1=S ZINC000793601907 1003437441 /nfs/dbraw/zinc/43/74/41/1003437441.db2.gz ZPKJWEPPLAYLEJ-LJQANCHMSA-N 1 2 372.494 2.683 20 30 FFEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@](C(=O)OC)(c3ccccc3)C2)c1=S ZINC000793601907 1003437450 /nfs/dbraw/zinc/43/74/50/1003437450.db2.gz ZPKJWEPPLAYLEJ-LJQANCHMSA-N 1 2 372.494 2.683 20 30 FFEDLO Cc1nc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC#Cc2ccccc2)C3)c(C)o1 ZINC001110135540 1003528327 /nfs/dbraw/zinc/52/83/27/1003528327.db2.gz IFCGRMRMFFBCDD-DYXWJJEUSA-N 1 2 363.461 2.955 20 30 FFEDLO Cc1nc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC#Cc2ccccc2)C3)c(C)o1 ZINC001110135540 1003528333 /nfs/dbraw/zinc/52/83/33/1003528333.db2.gz IFCGRMRMFFBCDD-DYXWJJEUSA-N 1 2 363.461 2.955 20 30 FFEDLO CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cccc3[nH+]ccn32)C1=O ZINC000793986503 1003543522 /nfs/dbraw/zinc/54/35/22/1003543522.db2.gz MUCNFVFOIWWKNR-IBGZPJMESA-N 1 2 371.441 2.650 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)co1 ZINC001096975080 1016793120 /nfs/dbraw/zinc/79/31/20/1016793120.db2.gz NKSHNHFXDCQNMY-XFJVYGCCSA-N 1 2 356.451 2.705 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)co1 ZINC001096975080 1016793129 /nfs/dbraw/zinc/79/31/29/1016793129.db2.gz NKSHNHFXDCQNMY-XFJVYGCCSA-N 1 2 356.451 2.705 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CCc2cc(Cl)ccc2Cl)C[C@H]1O ZINC001191724449 1003926282 /nfs/dbraw/zinc/92/62/82/1003926282.db2.gz FVANOXLNLNXOTC-HZPDHXFCSA-N 1 2 357.281 2.663 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CCc2cc(Cl)ccc2Cl)C[C@H]1O ZINC001191724449 1003926290 /nfs/dbraw/zinc/92/62/90/1003926290.db2.gz FVANOXLNLNXOTC-HZPDHXFCSA-N 1 2 357.281 2.663 20 30 FFEDLO CC(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001197243962 1004138025 /nfs/dbraw/zinc/13/80/25/1004138025.db2.gz IIJJGNUIPJLSOT-ATZDWAIDSA-N 1 2 362.901 2.535 20 30 FFEDLO CC(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001197243962 1004138032 /nfs/dbraw/zinc/13/80/32/1004138032.db2.gz IIJJGNUIPJLSOT-ATZDWAIDSA-N 1 2 362.901 2.535 20 30 FFEDLO CCc1cc(C(=O)N2CCc3onc(Cn4cc[nH+]c4)c3C2)ccc1C#N ZINC001197276067 1004151651 /nfs/dbraw/zinc/15/16/51/1004151651.db2.gz WBUKZLJWTNSIAS-UHFFFAOYSA-N 1 2 361.405 2.552 20 30 FFEDLO N#Cc1ccc2c(c1)CN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC001130422488 1004171603 /nfs/dbraw/zinc/17/16/03/1004171603.db2.gz MPCVHCVSITZNSW-UHFFFAOYSA-N 1 2 359.345 2.808 20 30 FFEDLO COc1ccc2c(c1)C[C@H](C[N@@H+]1CCO[C@H](c3cccc(C#N)c3)C1)O2 ZINC001192975555 1004346181 /nfs/dbraw/zinc/34/61/81/1004346181.db2.gz FWRYPBVFAPJLRC-CTNGQTDRSA-N 1 2 350.418 2.944 20 30 FFEDLO COc1ccc2c(c1)C[C@H](C[N@H+]1CCO[C@H](c3cccc(C#N)c3)C1)O2 ZINC001192975555 1004346192 /nfs/dbraw/zinc/34/61/92/1004346192.db2.gz FWRYPBVFAPJLRC-CTNGQTDRSA-N 1 2 350.418 2.944 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3c2cc(F)cc3F)C[C@H]1O ZINC001193337675 1004455233 /nfs/dbraw/zinc/45/52/33/1004455233.db2.gz XYXDDCQETDYONL-KZNAEPCWSA-N 1 2 364.436 2.716 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3c2cc(F)cc3F)C[C@H]1O ZINC001193337675 1004455240 /nfs/dbraw/zinc/45/52/40/1004455240.db2.gz XYXDDCQETDYONL-KZNAEPCWSA-N 1 2 364.436 2.716 20 30 FFEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001193674970 1004545896 /nfs/dbraw/zinc/54/58/96/1004545896.db2.gz NHFLZCYEYGGKAY-UXHICEINSA-N 1 2 352.434 2.698 20 30 FFEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001193674970 1004545904 /nfs/dbraw/zinc/54/59/04/1004545904.db2.gz NHFLZCYEYGGKAY-UXHICEINSA-N 1 2 352.434 2.698 20 30 FFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 ZINC001193920351 1004615384 /nfs/dbraw/zinc/61/53/84/1004615384.db2.gz MEQVTHWKOWMQQG-STQMWFEESA-N 1 2 362.495 2.942 20 30 FFEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 ZINC001193920351 1004615389 /nfs/dbraw/zinc/61/53/89/1004615389.db2.gz MEQVTHWKOWMQQG-STQMWFEESA-N 1 2 362.495 2.942 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001050144869 1016907291 /nfs/dbraw/zinc/90/72/91/1016907291.db2.gz QGMMSVKJYCUXGO-NVRFMJDISA-N 1 2 371.456 2.545 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001050144869 1016907277 /nfs/dbraw/zinc/90/72/77/1016907277.db2.gz QGMMSVKJYCUXGO-NVRFMJDISA-N 1 2 371.456 2.545 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000867300246 1004817567 /nfs/dbraw/zinc/81/75/67/1004817567.db2.gz AXBNUEMBTLWZLR-GOSISDBHSA-N 1 2 369.490 2.566 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000867300246 1004817572 /nfs/dbraw/zinc/81/75/72/1004817572.db2.gz AXBNUEMBTLWZLR-GOSISDBHSA-N 1 2 369.490 2.566 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCCN(C(=O)c2cccc(-c3c[nH+]cn3C)c2)C1 ZINC001194909409 1004842211 /nfs/dbraw/zinc/84/22/11/1004842211.db2.gz MLAOBPCPHQSFFB-KRWDZBQOSA-N 1 2 368.437 2.604 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001195732559 1005024179 /nfs/dbraw/zinc/02/41/79/1005024179.db2.gz BJXUEEZOHYNMRF-HZPDHXFCSA-N 1 2 356.388 2.723 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001195732559 1005024182 /nfs/dbraw/zinc/02/41/82/1005024182.db2.gz BJXUEEZOHYNMRF-HZPDHXFCSA-N 1 2 356.388 2.723 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@H]1O ZINC001195924635 1005074796 /nfs/dbraw/zinc/07/47/96/1005074796.db2.gz XOCMAIMRHTZPMZ-LMMKCTJWSA-N 1 2 368.880 2.785 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)C[C@H]1O ZINC001195924635 1005074800 /nfs/dbraw/zinc/07/48/00/1005074800.db2.gz XOCMAIMRHTZPMZ-LMMKCTJWSA-N 1 2 368.880 2.785 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1)C(C)C ZINC001110547714 1005085373 /nfs/dbraw/zinc/08/53/73/1005085373.db2.gz QHUXELZKGSOBLD-RSPOEFSDSA-N 1 2 373.472 2.980 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1)C(C)C ZINC001110547714 1005085379 /nfs/dbraw/zinc/08/53/79/1005085379.db2.gz QHUXELZKGSOBLD-RSPOEFSDSA-N 1 2 373.472 2.980 20 30 FFEDLO Cc1ccc(S(=O)(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cc1C#N ZINC001201315758 1005198714 /nfs/dbraw/zinc/19/87/14/1005198714.db2.gz KHEFGNBKRGIZIK-UHFFFAOYSA-N 1 2 352.419 2.912 20 30 FFEDLO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3F)C2)cc1C#N ZINC001201337390 1005203432 /nfs/dbraw/zinc/20/34/32/1005203432.db2.gz UFEJIBJGEPCCHK-QGZVFWFLSA-N 1 2 373.453 2.559 20 30 FFEDLO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3F)C2)cc1C#N ZINC001201337390 1005203435 /nfs/dbraw/zinc/20/34/35/1005203435.db2.gz UFEJIBJGEPCCHK-QGZVFWFLSA-N 1 2 373.453 2.559 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1)C1CC1 ZINC001110569451 1005257461 /nfs/dbraw/zinc/25/74/61/1005257461.db2.gz ODBKOJUPHWUVQZ-LMCOJAPRSA-N 1 2 371.456 2.734 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1)C1CC1 ZINC001110569451 1005257464 /nfs/dbraw/zinc/25/74/64/1005257464.db2.gz ODBKOJUPHWUVQZ-LMCOJAPRSA-N 1 2 371.456 2.734 20 30 FFEDLO CCc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001095671338 1016961765 /nfs/dbraw/zinc/96/17/65/1016961765.db2.gz MTNWWNBLOVFAQO-CCKFTAQKSA-N 1 2 367.428 2.518 20 30 FFEDLO CCc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001095671338 1016961777 /nfs/dbraw/zinc/96/17/77/1016961777.db2.gz MTNWWNBLOVFAQO-CCKFTAQKSA-N 1 2 367.428 2.518 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)CCC ZINC001110593227 1005383352 /nfs/dbraw/zinc/38/33/52/1005383352.db2.gz OQHFYMOMYVBWOC-OWYHZJEWSA-N 1 2 361.530 2.781 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)CCC ZINC001110593227 1005383354 /nfs/dbraw/zinc/38/33/54/1005383354.db2.gz OQHFYMOMYVBWOC-OWYHZJEWSA-N 1 2 361.530 2.781 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3noc(CC(C)C)n3)C2)C1 ZINC001488951618 1005384908 /nfs/dbraw/zinc/38/49/08/1005384908.db2.gz AGGJWSNGUHKFGA-JKSUJKDBSA-N 1 2 360.502 2.999 20 30 FFEDLO CCCCOCC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001489108106 1005410645 /nfs/dbraw/zinc/41/06/45/1005410645.db2.gz OCFVAESKYMRWIZ-RBUKOAKNSA-N 1 2 361.461 2.983 20 30 FFEDLO CCCCOCC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001489108106 1005410647 /nfs/dbraw/zinc/41/06/47/1005410647.db2.gz OCFVAESKYMRWIZ-RBUKOAKNSA-N 1 2 361.461 2.983 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3cc(OC)no3)[C@@H]2C)CCCCC1 ZINC001489314741 1005462535 /nfs/dbraw/zinc/46/25/35/1005462535.db2.gz ONCGJRRLYBFPBO-WBVHZDCISA-N 1 2 359.470 2.736 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2CC[N@H+](Cc3cc(OC)no3)[C@@H]2C)CCCCC1 ZINC001489314741 1005462536 /nfs/dbraw/zinc/46/25/36/1005462536.db2.gz ONCGJRRLYBFPBO-WBVHZDCISA-N 1 2 359.470 2.736 20 30 FFEDLO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cn(C3CCC3)nn2)ccc1OC ZINC000850134508 1005788943 /nfs/dbraw/zinc/78/89/43/1005788943.db2.gz BNWRAZIMGLDDHE-QGZVFWFLSA-N 1 2 355.442 2.982 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110631363 1005885405 /nfs/dbraw/zinc/88/54/05/1005885405.db2.gz SVWTWJXQPKDJCV-WSTZPKSXSA-N 1 2 364.493 2.818 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN([C@@H](C#N)c3ccccc3)C2)CC1 ZINC000852044232 1005936227 /nfs/dbraw/zinc/93/62/27/1005936227.db2.gz AMQMDMBFTFKKJI-MOPGFXCFSA-N 1 2 370.497 2.878 20 30 FFEDLO COCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)CC1 ZINC001110645992 1005957125 /nfs/dbraw/zinc/95/71/25/1005957125.db2.gz XRNJCHGOPZFFFB-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO COCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)CC1 ZINC001110645992 1005957127 /nfs/dbraw/zinc/95/71/27/1005957127.db2.gz XRNJCHGOPZFFFB-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001187225876 1005965255 /nfs/dbraw/zinc/96/52/55/1005965255.db2.gz LMKGXOBNXDSNTB-QILLFSRXSA-N 1 2 359.470 2.566 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001187225876 1005965260 /nfs/dbraw/zinc/96/52/60/1005965260.db2.gz LMKGXOBNXDSNTB-QILLFSRXSA-N 1 2 359.470 2.566 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)Nc3ccccc3OC)C[C@H]21 ZINC001187240725 1005971958 /nfs/dbraw/zinc/97/19/58/1005971958.db2.gz YUGVDZCGIUHZJE-SOLBZPMBSA-N 1 2 371.481 2.521 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)Nc3ccccc3OC)C[C@H]21 ZINC001187240725 1005971965 /nfs/dbraw/zinc/97/19/65/1005971965.db2.gz YUGVDZCGIUHZJE-SOLBZPMBSA-N 1 2 371.481 2.521 20 30 FFEDLO CCCCCC[C@@](O)(C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1)C(=O)OC ZINC000852333951 1005983693 /nfs/dbraw/zinc/98/36/93/1005983693.db2.gz ZJQCHUSKHVYOAS-NHCUHLMSSA-N 1 2 373.497 2.813 20 30 FFEDLO CCCCCC[C@@](O)(C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1)C(=O)OC ZINC000852333951 1005983702 /nfs/dbraw/zinc/98/37/02/1005983702.db2.gz ZJQCHUSKHVYOAS-NHCUHLMSSA-N 1 2 373.497 2.813 20 30 FFEDLO C[C@@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)C[C@@H]1NC(=O)C(F)(F)F ZINC000852757489 1006171049 /nfs/dbraw/zinc/17/10/49/1006171049.db2.gz DSBVXIMHEFFBMW-CJNGLKHVSA-N 1 2 369.387 2.716 20 30 FFEDLO C[C@@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C[C@@H]1NC(=O)C(F)(F)F ZINC000852757489 1006171057 /nfs/dbraw/zinc/17/10/57/1006171057.db2.gz DSBVXIMHEFFBMW-CJNGLKHVSA-N 1 2 369.387 2.716 20 30 FFEDLO C#CCCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(=C)Cl)C[C@H]32)cc1 ZINC001187848929 1006273601 /nfs/dbraw/zinc/27/36/01/1006273601.db2.gz FQRFKTLRAXWMIU-PKOBYXMFSA-N 1 2 358.869 2.988 20 30 FFEDLO C#CCCOc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(=C)Cl)C[C@H]32)cc1 ZINC001187848929 1006273612 /nfs/dbraw/zinc/27/36/12/1006273612.db2.gz FQRFKTLRAXWMIU-PKOBYXMFSA-N 1 2 358.869 2.988 20 30 FFEDLO Cc1cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc1NC(=O)OC(C)(C)C ZINC000853129673 1006307217 /nfs/dbraw/zinc/30/72/17/1006307217.db2.gz NXPCYBGKOCKGPL-MRXNPFEDSA-N 1 2 362.474 2.960 20 30 FFEDLO Cc1cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc1NC(=O)OC(C)(C)C ZINC000853129673 1006307227 /nfs/dbraw/zinc/30/72/27/1006307227.db2.gz NXPCYBGKOCKGPL-MRXNPFEDSA-N 1 2 362.474 2.960 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3nc(C)c(C)o3)C[C@H]21)OCC ZINC001188095600 1006408700 /nfs/dbraw/zinc/40/87/00/1006408700.db2.gz ODLMZGKNLHGLLZ-KSZLIROESA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(C)c(C)o3)C[C@H]21)OCC ZINC001188095600 1006408706 /nfs/dbraw/zinc/40/87/06/1006408706.db2.gz ODLMZGKNLHGLLZ-KSZLIROESA-N 1 2 361.486 2.695 20 30 FFEDLO Cc1ccc2c(c1)C[N@@H+](CN1C(=O)N[C@](C)(c3cccc(C#N)c3)C1=O)CC2 ZINC000853534929 1006433118 /nfs/dbraw/zinc/43/31/18/1006433118.db2.gz XRMUCNUENSXWFC-JOCHJYFZSA-N 1 2 374.444 2.650 20 30 FFEDLO Cc1ccc2c(c1)C[N@H+](CN1C(=O)N[C@](C)(c3cccc(C#N)c3)C1=O)CC2 ZINC000853534929 1006433126 /nfs/dbraw/zinc/43/31/26/1006433126.db2.gz XRMUCNUENSXWFC-JOCHJYFZSA-N 1 2 374.444 2.650 20 30 FFEDLO CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1nnn(-c2cccc(Cl)c2)c1C ZINC000814886127 1006460062 /nfs/dbraw/zinc/46/00/62/1006460062.db2.gz SGOGJNCXTRURAI-HOTGVXAUSA-N 1 2 371.876 2.813 20 30 FFEDLO N#Cc1ccc(CCON=C(N)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000853685096 1006505103 /nfs/dbraw/zinc/50/51/03/1006505103.db2.gz CKPIPJVMQRHPNT-FQEVSTJZSA-N 1 2 364.449 2.500 20 30 FFEDLO N#Cc1ccc(CCON=C(N)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000853685096 1006505109 /nfs/dbraw/zinc/50/51/09/1006505109.db2.gz CKPIPJVMQRHPNT-FQEVSTJZSA-N 1 2 364.449 2.500 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4ccco4)no3)C[C@H]21 ZINC001188903437 1006795004 /nfs/dbraw/zinc/79/50/04/1006795004.db2.gz VLNDJCFBMICZGV-JKSUJKDBSA-N 1 2 368.437 2.556 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4ccco4)no3)C[C@H]21 ZINC001188903437 1006795014 /nfs/dbraw/zinc/79/50/14/1006795014.db2.gz VLNDJCFBMICZGV-JKSUJKDBSA-N 1 2 368.437 2.556 20 30 FFEDLO COc1ccc(-c2noc(CO[NH+]=C(N)Cc3ccccc3)n2)c(OC)c1 ZINC000112968945 1007099640 /nfs/dbraw/zinc/09/96/40/1007099640.db2.gz IJRKOXKCLPMGMX-UHFFFAOYSA-N 1 2 368.393 2.785 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000884074845 1007218025 /nfs/dbraw/zinc/21/80/25/1007218025.db2.gz DFKLXVXTEAITPG-HNNXBMFYSA-N 1 2 370.371 2.643 20 30 FFEDLO O=C(CC#Cc1ccccc1)N1CC[C@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC001190304969 1007559360 /nfs/dbraw/zinc/55/93/60/1007559360.db2.gz DZXRXMCODZCSEB-ZWKOTPCHSA-N 1 2 351.475 2.618 20 30 FFEDLO O=C(CC#Cc1ccccc1)N1CC[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21 ZINC001190304969 1007559367 /nfs/dbraw/zinc/55/93/67/1007559367.db2.gz DZXRXMCODZCSEB-ZWKOTPCHSA-N 1 2 351.475 2.618 20 30 FFEDLO C=C[C@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3nonc3C)C[C@H]21)c1ccccc1 ZINC001190281790 1007568683 /nfs/dbraw/zinc/56/86/83/1007568683.db2.gz JHKMPFFDHCKVPK-IMFGXOCKSA-N 1 2 366.465 2.771 20 30 FFEDLO C=C[C@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3nonc3C)C[C@H]21)c1ccccc1 ZINC001190281790 1007568689 /nfs/dbraw/zinc/56/86/89/1007568689.db2.gz JHKMPFFDHCKVPK-IMFGXOCKSA-N 1 2 366.465 2.771 20 30 FFEDLO COc1cc(N2CCN(C(=O)c3cccc(C(C)(C)C#N)c3)CC2)cc[nH+]1 ZINC001190931514 1007836702 /nfs/dbraw/zinc/83/67/02/1007836702.db2.gz WGNQTPUKJTWDGC-UHFFFAOYSA-N 1 2 364.449 2.854 20 30 FFEDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2C[C@H](O)CC2(C#N)CCC2)o1 ZINC000885960908 1007854079 /nfs/dbraw/zinc/85/40/79/1007854079.db2.gz QXRQMLRGUPHQLH-MSOLQXFVSA-N 1 2 352.438 2.922 20 30 FFEDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2C[C@H](O)CC2(C#N)CCC2)o1 ZINC000885960908 1007854088 /nfs/dbraw/zinc/85/40/88/1007854088.db2.gz QXRQMLRGUPHQLH-MSOLQXFVSA-N 1 2 352.438 2.922 20 30 FFEDLO CC(C)n1cc2c(n1)[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)CCC2 ZINC000819219669 1008076057 /nfs/dbraw/zinc/07/60/57/1008076057.db2.gz FMQFHOBRSPUAFZ-SFHVURJKSA-N 1 2 372.494 2.777 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000819530900 1008163879 /nfs/dbraw/zinc/16/38/79/1008163879.db2.gz LUIAFDJGIVGOAJ-INIZCTEOSA-N 1 2 365.518 2.742 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000819538446 1008166617 /nfs/dbraw/zinc/16/66/17/1008166617.db2.gz UFQUGFRVQQTJDC-INIZCTEOSA-N 1 2 365.518 2.742 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858012682 1008276902 /nfs/dbraw/zinc/27/69/02/1008276902.db2.gz BGWPAXYZFWVKAJ-RXVVDRJESA-N 1 2 370.497 2.857 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858012682 1008276903 /nfs/dbraw/zinc/27/69/03/1008276903.db2.gz BGWPAXYZFWVKAJ-RXVVDRJESA-N 1 2 370.497 2.857 20 30 FFEDLO COCCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206495321 1032314353 /nfs/dbraw/zinc/31/43/53/1032314353.db2.gz JFZWRVNKEYKQGW-VQIMIIECSA-N 1 2 362.901 2.945 20 30 FFEDLO COCCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206495321 1032314361 /nfs/dbraw/zinc/31/43/61/1032314361.db2.gz JFZWRVNKEYKQGW-VQIMIIECSA-N 1 2 362.901 2.945 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2F)C[C@H]1C ZINC001206509680 1032319442 /nfs/dbraw/zinc/31/94/42/1032319442.db2.gz RXIBVPHSIGFMOR-RVKKMQEKSA-N 1 2 361.461 2.864 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2F)C[C@H]1C ZINC001206509680 1032319455 /nfs/dbraw/zinc/31/94/55/1032319455.db2.gz RXIBVPHSIGFMOR-RVKKMQEKSA-N 1 2 361.461 2.864 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3cccc(C)c3)no2)C[C@H]1C ZINC001206508989 1032319866 /nfs/dbraw/zinc/31/98/66/1032319866.db2.gz BQVXCNFXJKCRHW-NVXWUHKLSA-N 1 2 354.454 2.948 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3cccc(C)c3)no2)C[C@H]1C ZINC001206508989 1032319867 /nfs/dbraw/zinc/31/98/67/1032319867.db2.gz BQVXCNFXJKCRHW-NVXWUHKLSA-N 1 2 354.454 2.948 20 30 FFEDLO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2C#N)C[C@](C)(C(F)(F)F)O1 ZINC000859315238 1008501395 /nfs/dbraw/zinc/50/13/95/1008501395.db2.gz IXGJEKMWIUKCCQ-WMLDXEAASA-N 1 2 372.387 2.730 20 30 FFEDLO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@](C)(C(F)(F)F)O1 ZINC000859315238 1008501398 /nfs/dbraw/zinc/50/13/98/1008501398.db2.gz IXGJEKMWIUKCCQ-WMLDXEAASA-N 1 2 372.387 2.730 20 30 FFEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170987159 1008632634 /nfs/dbraw/zinc/63/26/34/1008632634.db2.gz ZZFIIAVJDORZND-PXNSSMCTSA-N 1 2 352.409 2.929 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)c(Cl)c2)C[C@H]1C ZINC001206544502 1032336651 /nfs/dbraw/zinc/33/66/51/1032336651.db2.gz KAUZULADARUHDX-RHSMWYFYSA-N 1 2 363.889 2.990 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)c(Cl)c2)C[C@H]1C ZINC001206544502 1032336661 /nfs/dbraw/zinc/33/66/61/1032336661.db2.gz KAUZULADARUHDX-RHSMWYFYSA-N 1 2 363.889 2.990 20 30 FFEDLO N#C[C@H](Cc1cccs1)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001177908309 1008781203 /nfs/dbraw/zinc/78/12/03/1008781203.db2.gz ALPWRBBGQHVSTC-KRWDZBQOSA-N 1 2 369.490 2.654 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C(C)C)n1 ZINC001092984358 1009512153 /nfs/dbraw/zinc/51/21/53/1009512153.db2.gz VKXYGUFNWXMQTH-HZMVEIRTSA-N 1 2 358.486 2.725 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C)OCC ZINC001093018863 1009620892 /nfs/dbraw/zinc/62/08/92/1009620892.db2.gz NDDOHFWILQJVBY-AKHDSKFASA-N 1 2 372.513 2.999 20 30 FFEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000861995363 1009652968 /nfs/dbraw/zinc/65/29/68/1009652968.db2.gz BRLSAFXETJXVAG-UHFFFAOYSA-N 1 2 355.482 2.597 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001093033357 1009699011 /nfs/dbraw/zinc/69/90/11/1009699011.db2.gz TZFUMLJBRRAIKK-DCXXXQMHSA-N 1 2 372.513 2.857 20 30 FFEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(Cl)cc2C#C[Si](C)(C)C)C1 ZINC001180759872 1009824100 /nfs/dbraw/zinc/82/41/00/1009824100.db2.gz LAVJATDYSFVDFA-MRXNPFEDSA-N 1 2 350.922 2.838 20 30 FFEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(Cl)cc2C#C[Si](C)(C)C)C1 ZINC001180759872 1009824114 /nfs/dbraw/zinc/82/41/14/1009824114.db2.gz LAVJATDYSFVDFA-MRXNPFEDSA-N 1 2 350.922 2.838 20 30 FFEDLO COC[C@@H](C)[N@H+](Cn1nc(CC#N)n(C)c1=S)[C@@H]1CCc2ccccc21 ZINC000863338922 1010186022 /nfs/dbraw/zinc/18/60/22/1010186022.db2.gz XVUGMZUSQIHKKO-RHSMWYFYSA-N 1 2 371.510 2.999 20 30 FFEDLO COC[C@@H](C)[N@@H+](Cn1nc(CC#N)n(C)c1=S)[C@@H]1CCc2ccccc21 ZINC000863338922 1010186032 /nfs/dbraw/zinc/18/60/32/1010186032.db2.gz XVUGMZUSQIHKKO-RHSMWYFYSA-N 1 2 371.510 2.999 20 30 FFEDLO CO[C@@H](C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206895919 1032486160 /nfs/dbraw/zinc/48/61/60/1032486160.db2.gz OWZHIFWFPHVWOY-JTDSTZFVSA-N 1 2 362.901 2.943 20 30 FFEDLO CO[C@@H](C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206895919 1032486167 /nfs/dbraw/zinc/48/61/67/1032486167.db2.gz OWZHIFWFPHVWOY-JTDSTZFVSA-N 1 2 362.901 2.943 20 30 FFEDLO CC1(C)C[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@]2(CCOC2)O1 ZINC000794697010 1010522850 /nfs/dbraw/zinc/52/28/50/1010522850.db2.gz YCFRIKQCDUAPSB-FQEVSTJZSA-N 1 2 352.438 2.649 20 30 FFEDLO CC1(C)C[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@]2(CCOC2)O1 ZINC000794697010 1010522855 /nfs/dbraw/zinc/52/28/55/1010522855.db2.gz YCFRIKQCDUAPSB-FQEVSTJZSA-N 1 2 352.438 2.649 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3cccc(C)c3)no2)C[C@H]1C ZINC001206912335 1032494194 /nfs/dbraw/zinc/49/41/94/1032494194.db2.gz GHWIGBCXVHWRGY-SJLPKXTDSA-N 1 2 366.465 2.785 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3cccc(C)c3)no2)C[C@H]1C ZINC001206912335 1032494200 /nfs/dbraw/zinc/49/42/00/1032494200.db2.gz GHWIGBCXVHWRGY-SJLPKXTDSA-N 1 2 366.465 2.785 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2c(C)cc(C)cc2C)C[C@H]1C ZINC001206912625 1032494837 /nfs/dbraw/zinc/49/48/37/1032494837.db2.gz UZKRXHDOQXTLDE-RTBURBONSA-N 1 2 369.509 2.790 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2c(C)cc(C)cc2C)C[C@H]1C ZINC001206912625 1032494840 /nfs/dbraw/zinc/49/48/40/1032494840.db2.gz UZKRXHDOQXTLDE-RTBURBONSA-N 1 2 369.509 2.790 20 30 FFEDLO C[C@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)c1cccc(C#N)c1O ZINC000866354287 1010982070 /nfs/dbraw/zinc/98/20/70/1010982070.db2.gz MNACDHIAGQTQMM-RDJZCZTQSA-N 1 2 365.433 2.594 20 30 FFEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000867680136 1011083750 /nfs/dbraw/zinc/08/37/50/1011083750.db2.gz ZYNIICDRJOBNGU-UHFFFAOYSA-N 1 2 373.478 2.911 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001094832578 1011404252 /nfs/dbraw/zinc/40/42/52/1011404252.db2.gz PIRGNEXBCYGZHS-AEFFLSMTSA-N 1 2 358.486 2.563 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)C2)cc1 ZINC000868669621 1011410930 /nfs/dbraw/zinc/41/09/30/1011410930.db2.gz KSXNBZYXRCFBFE-YSIASYRMSA-N 1 2 370.497 2.577 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)C2)cc1 ZINC000868669621 1011410943 /nfs/dbraw/zinc/41/09/43/1011410943.db2.gz KSXNBZYXRCFBFE-YSIASYRMSA-N 1 2 370.497 2.577 20 30 FFEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)C[C@@H](O)c1cccc(C#N)c1 ZINC001171791840 1011479776 /nfs/dbraw/zinc/47/97/76/1011479776.db2.gz QBQWQEBGCCKFAK-QGZVFWFLSA-N 1 2 361.804 2.955 20 30 FFEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1F)C[C@@H](O)c1cccc(C#N)c1 ZINC001171791840 1011479781 /nfs/dbraw/zinc/47/97/81/1011479781.db2.gz QBQWQEBGCCKFAK-QGZVFWFLSA-N 1 2 361.804 2.955 20 30 FFEDLO O=C(c1ccccc1)N1CCC[C@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001171887211 1011519616 /nfs/dbraw/zinc/51/96/16/1011519616.db2.gz GTGSBNGAFDRZCU-ZWKOTPCHSA-N 1 2 356.491 2.955 20 30 FFEDLO O=C(c1ccccc1)N1CCC[C@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001171887211 1011519630 /nfs/dbraw/zinc/51/96/30/1011519630.db2.gz GTGSBNGAFDRZCU-ZWKOTPCHSA-N 1 2 356.491 2.955 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2sc(N)c(C#N)c2Cl)C1=O ZINC001275014248 1011814306 /nfs/dbraw/zinc/81/43/06/1011814306.db2.gz IUMSWDUEWKHMLN-INIZCTEOSA-N 1 2 350.875 2.608 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2sc(N)c(C#N)c2Cl)C1=O ZINC001275014248 1011814320 /nfs/dbraw/zinc/81/43/20/1011814320.db2.gz IUMSWDUEWKHMLN-INIZCTEOSA-N 1 2 350.875 2.608 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(C(F)(F)F)ccc2OC)C1=O ZINC001275047892 1011856532 /nfs/dbraw/zinc/85/65/32/1011856532.db2.gz RSEBCZFUJHOXSU-SFHVURJKSA-N 1 2 366.383 2.914 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C(F)(F)F)ccc2OC)C1=O ZINC001275047892 1011856553 /nfs/dbraw/zinc/85/65/53/1011856553.db2.gz RSEBCZFUJHOXSU-SFHVURJKSA-N 1 2 366.383 2.914 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)cc1Cl)C2 ZINC001275201897 1012073311 /nfs/dbraw/zinc/07/33/11/1012073311.db2.gz JMZUXTUVMQGAHD-GOSISDBHSA-N 1 2 367.276 2.678 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)cc1Cl)C2 ZINC001275201897 1012073331 /nfs/dbraw/zinc/07/33/31/1012073331.db2.gz JMZUXTUVMQGAHD-GOSISDBHSA-N 1 2 367.276 2.678 20 30 FFEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCc3nnc(N4CCCC4)cc3C2)cc1 ZINC000828098791 1032598384 /nfs/dbraw/zinc/59/83/84/1032598384.db2.gz CKECOFFRIBPSSL-INIZCTEOSA-N 1 2 363.465 2.926 20 30 FFEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCc3nnc(N4CCCC4)cc3C2)cc1 ZINC000828098791 1032598395 /nfs/dbraw/zinc/59/83/95/1032598395.db2.gz CKECOFFRIBPSSL-INIZCTEOSA-N 1 2 363.465 2.926 20 30 FFEDLO Cc1ccc(C#N)c(NCCCCCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001095005443 1012234215 /nfs/dbraw/zinc/23/42/15/1012234215.db2.gz OPKLBCTUDUCSDC-IAGOWNOFSA-N 1 2 366.469 2.877 20 30 FFEDLO Cc1ccc(C#N)c(NCCCCCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC001095005443 1012234231 /nfs/dbraw/zinc/23/42/31/1012234231.db2.gz OPKLBCTUDUCSDC-IAGOWNOFSA-N 1 2 366.469 2.877 20 30 FFEDLO C=CCOC(=O)N1CC[NH+]([C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173074262 1012242768 /nfs/dbraw/zinc/24/27/68/1012242768.db2.gz GPZLZHAYSFFDIA-HOTGVXAUSA-N 1 2 367.490 2.715 20 30 FFEDLO C=CCOC(=O)N1CC[NH+]([C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173074261 1012244392 /nfs/dbraw/zinc/24/43/92/1012244392.db2.gz GPZLZHAYSFFDIA-CVEARBPZSA-N 1 2 367.490 2.715 20 30 FFEDLO C=CCCCCC[N@@H+]1C[C@]2(F)CN(CC3CCOCC3)C(=O)[C@]2(F)C1 ZINC001275328844 1012306164 /nfs/dbraw/zinc/30/61/64/1012306164.db2.gz DVXBBGQTUKAZKF-RBUKOAKNSA-N 1 2 356.457 2.734 20 30 FFEDLO C=CCCCCC[N@H+]1C[C@]2(F)CN(CC3CCOCC3)C(=O)[C@]2(F)C1 ZINC001275328844 1012306185 /nfs/dbraw/zinc/30/61/85/1012306185.db2.gz DVXBBGQTUKAZKF-RBUKOAKNSA-N 1 2 356.457 2.734 20 30 FFEDLO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001275328727 1012308071 /nfs/dbraw/zinc/30/80/71/1012308071.db2.gz BILJLRVWQDBVJM-VBKZILBWSA-N 1 2 357.429 2.632 20 30 FFEDLO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001275328727 1012308083 /nfs/dbraw/zinc/30/80/83/1012308083.db2.gz BILJLRVWQDBVJM-VBKZILBWSA-N 1 2 357.429 2.632 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(Cl)ccc1F)C2 ZINC001275351352 1012348215 /nfs/dbraw/zinc/34/82/15/1012348215.db2.gz QHWVOPDDYHAEKK-SFHVURJKSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(Cl)ccc1F)C2 ZINC001275351352 1012348237 /nfs/dbraw/zinc/34/82/37/1012348237.db2.gz QHWVOPDDYHAEKK-SFHVURJKSA-N 1 2 352.837 2.716 20 30 FFEDLO N#Cc1ccc(C(=O)N2CCC([NH2+]CC(F)(F)C(F)(F)F)CC2)cc1 ZINC001173422654 1012570575 /nfs/dbraw/zinc/57/05/75/1012570575.db2.gz UILKARHNWFDUPF-UHFFFAOYSA-N 1 2 361.314 2.950 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cscc2Br)C1=O ZINC001275539209 1012593465 /nfs/dbraw/zinc/59/34/65/1012593465.db2.gz GEOZZVBEKFNLRX-HNNXBMFYSA-N 1 2 353.285 2.711 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cscc2Br)C1=O ZINC001275539209 1012593471 /nfs/dbraw/zinc/59/34/71/1012593471.db2.gz GEOZZVBEKFNLRX-HNNXBMFYSA-N 1 2 353.285 2.711 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2O)C3)c1 ZINC001095188492 1012672516 /nfs/dbraw/zinc/67/25/16/1012672516.db2.gz ITXOAQPCNGLJKR-MNEFBYGVSA-N 1 2 365.408 2.938 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2O)C3)c1 ZINC001095188492 1012672527 /nfs/dbraw/zinc/67/25/27/1012672527.db2.gz ITXOAQPCNGLJKR-MNEFBYGVSA-N 1 2 365.408 2.938 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)[nH]n1 ZINC001095192376 1012678178 /nfs/dbraw/zinc/67/81/78/1012678178.db2.gz NYGKGZBCPRMEFH-AYBZRNKSSA-N 1 2 367.428 2.518 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)[nH]n1 ZINC001095192376 1012678185 /nfs/dbraw/zinc/67/81/85/1012678185.db2.gz NYGKGZBCPRMEFH-AYBZRNKSSA-N 1 2 367.428 2.518 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3cc(C(F)(F)F)ccc3F)C2)OCC1=O ZINC001275705582 1012889545 /nfs/dbraw/zinc/88/95/45/1012889545.db2.gz OSWPZFMYLNSFRY-KRWDZBQOSA-N 1 2 372.362 2.834 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3cc(C(F)(F)F)ccc3F)C2)OCC1=O ZINC001275705582 1012889564 /nfs/dbraw/zinc/88/95/64/1012889564.db2.gz OSWPZFMYLNSFRY-KRWDZBQOSA-N 1 2 372.362 2.834 20 30 FFEDLO CCc1ocnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001095256369 1012970856 /nfs/dbraw/zinc/97/08/56/1012970856.db2.gz SNKYNNZIJURQOH-SQNIBIBYSA-N 1 2 367.424 2.763 20 30 FFEDLO CCc1ocnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001095256369 1012970870 /nfs/dbraw/zinc/97/08/70/1012970870.db2.gz SNKYNNZIJURQOH-SQNIBIBYSA-N 1 2 367.424 2.763 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnn1C ZINC001097357384 1017390321 /nfs/dbraw/zinc/39/03/21/1017390321.db2.gz LFEXFGLJZGXROY-LZQZEXGQSA-N 1 2 366.465 2.520 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnn1C ZINC001097357384 1017390334 /nfs/dbraw/zinc/39/03/34/1017390334.db2.gz LFEXFGLJZGXROY-LZQZEXGQSA-N 1 2 366.465 2.520 20 30 FFEDLO CCc1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001097408647 1017442854 /nfs/dbraw/zinc/44/28/54/1017442854.db2.gz RNBFYHAXTOHGKA-ZMYBRWDISA-N 1 2 367.428 2.518 20 30 FFEDLO CCc1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001097408647 1017442859 /nfs/dbraw/zinc/44/28/59/1017442859.db2.gz RNBFYHAXTOHGKA-ZMYBRWDISA-N 1 2 367.428 2.518 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001055462338 1017550446 /nfs/dbraw/zinc/55/04/46/1017550446.db2.gz AYLRPNKNLIAPQO-DZVNLGKHSA-N 1 2 370.497 2.555 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3nccn31)C2 ZINC001097528294 1017600021 /nfs/dbraw/zinc/60/00/21/1017600021.db2.gz JIXAQAXNPRYGTI-QRVBRYPASA-N 1 2 371.444 2.741 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3nccn31)C2 ZINC001097528294 1017600028 /nfs/dbraw/zinc/60/00/28/1017600028.db2.gz JIXAQAXNPRYGTI-QRVBRYPASA-N 1 2 371.444 2.741 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3ccnc3)cc1)C2 ZINC001097590807 1017680555 /nfs/dbraw/zinc/68/05/55/1017680555.db2.gz KGUOFTZMCKIWSM-KURKYZTESA-N 1 2 356.857 2.960 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3ccnc3)cc1)C2 ZINC001097590807 1017680562 /nfs/dbraw/zinc/68/05/62/1017680562.db2.gz KGUOFTZMCKIWSM-KURKYZTESA-N 1 2 356.857 2.960 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C3CC3)on1)C2 ZINC001097596875 1017688203 /nfs/dbraw/zinc/68/82/03/1017688203.db2.gz QAYJXEBRHZDBFS-LMMKCTJWSA-N 1 2 362.433 2.959 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C3CC3)on1)C2 ZINC001097596875 1017688207 /nfs/dbraw/zinc/68/82/07/1017688207.db2.gz QAYJXEBRHZDBFS-LMMKCTJWSA-N 1 2 362.433 2.959 20 30 FFEDLO N#Cc1c(F)cccc1NC[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001055658340 1017844461 /nfs/dbraw/zinc/84/44/61/1017844461.db2.gz LAFSINURHQENIL-YWZLYKJASA-N 1 2 367.428 2.635 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(F)c2)c1 ZINC001097812311 1017974832 /nfs/dbraw/zinc/97/48/32/1017974832.db2.gz DCGVQHXKKBUOTF-AHRSYUTCSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(F)c2)c1 ZINC001097812311 1017974846 /nfs/dbraw/zinc/97/48/46/1017974846.db2.gz DCGVQHXKKBUOTF-AHRSYUTCSA-N 1 2 367.399 2.876 20 30 FFEDLO COCC#CC[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000680428291 1017983618 /nfs/dbraw/zinc/98/36/18/1017983618.db2.gz XVRYSGKTYVHHOC-LLVKDONJSA-N 1 2 350.216 2.800 20 30 FFEDLO CCOC1CC(C[NH2+][C@@H](CC)c2cccc(C#N)c2O)(N2CCOCC2)C1 ZINC000926294145 1018078637 /nfs/dbraw/zinc/07/86/37/1018078637.db2.gz BSYDLAIKURQDIG-BIXGBWIQSA-N 1 2 373.497 2.574 20 30 FFEDLO C=CCCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(O)ccc3Cl)C[C@H]21 ZINC001222075549 1032739357 /nfs/dbraw/zinc/73/93/57/1032739357.db2.gz OIUNZUDRUCBPQG-RDTXWAMCSA-N 1 2 364.873 2.671 20 30 FFEDLO C=CCCOCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(O)ccc3Cl)C[C@H]21 ZINC001222075549 1032739372 /nfs/dbraw/zinc/73/93/72/1032739372.db2.gz OIUNZUDRUCBPQG-RDTXWAMCSA-N 1 2 364.873 2.671 20 30 FFEDLO C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001053413485 1018292112 /nfs/dbraw/zinc/29/21/12/1018292112.db2.gz UUJDJCFZMWSUKT-OXQOHEQNSA-N 1 2 362.477 2.906 20 30 FFEDLO C[C@H](CC(=O)N1C[C@@H](C)[C@H](CCNc2ccc(C#N)cn2)C1)n1cc[nH+]c1 ZINC001053533548 1018353646 /nfs/dbraw/zinc/35/36/46/1018353646.db2.gz HJVIIFJROIEOEQ-JFIYKMOQSA-N 1 2 366.469 2.698 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001053541579 1018357170 /nfs/dbraw/zinc/35/71/70/1018357170.db2.gz MMSSKGDZIVNBMO-DDBAPUKQSA-N 1 2 358.486 2.663 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1F)O2 ZINC001053673319 1018410511 /nfs/dbraw/zinc/41/05/11/1018410511.db2.gz AWWGFNAQZOITJG-RYQLBKOJSA-N 1 2 358.457 2.855 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cc(OC)ccc3Cl)C[C@@H]21 ZINC001217504235 1032761871 /nfs/dbraw/zinc/76/18/71/1032761871.db2.gz XTLCYNUKTNADRS-ZWKOTPCHSA-N 1 2 364.873 2.726 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3cc(OC)ccc3Cl)C[C@@H]21 ZINC001217504235 1032761884 /nfs/dbraw/zinc/76/18/84/1032761884.db2.gz XTLCYNUKTNADRS-ZWKOTPCHSA-N 1 2 364.873 2.726 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCC1 ZINC001110932075 1018697837 /nfs/dbraw/zinc/69/78/37/1018697837.db2.gz DEXRHPQJHPMXRS-AITUJVMLSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCC1 ZINC001110932075 1018697843 /nfs/dbraw/zinc/69/78/43/1018697843.db2.gz DEXRHPQJHPMXRS-AITUJVMLSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1ccco1 ZINC001110934790 1018710703 /nfs/dbraw/zinc/71/07/03/1018710703.db2.gz NJBARCPUIVUAMG-RWQQGDIJSA-N 1 2 373.497 2.562 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1ccco1 ZINC001110934790 1018710707 /nfs/dbraw/zinc/71/07/07/1018710707.db2.gz NJBARCPUIVUAMG-RWQQGDIJSA-N 1 2 373.497 2.562 20 30 FFEDLO C[C@@H](CC(=O)N1CC[C@H]2CN(c3cccc(F)c3C#N)C[C@H]21)n1cc[nH+]c1 ZINC001040843595 1018714988 /nfs/dbraw/zinc/71/49/88/1018714988.db2.gz BMIDTUFBQCXZBI-YZVOILCLSA-N 1 2 367.428 2.582 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cncc(OC)n4)C[C@H]32)CCCC1 ZINC001222151716 1032791434 /nfs/dbraw/zinc/79/14/34/1032791434.db2.gz MGYKTGIVOMKHDG-SJLPKXTDSA-N 1 2 370.497 2.654 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cncc(OC)n4)C[C@H]32)CCCC1 ZINC001222151716 1032791449 /nfs/dbraw/zinc/79/14/49/1032791449.db2.gz MGYKTGIVOMKHDG-SJLPKXTDSA-N 1 2 370.497 2.654 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001042100959 1018951455 /nfs/dbraw/zinc/95/14/55/1018951455.db2.gz HBROUVMCDBWDJN-JLTOFOAXSA-N 1 2 362.477 2.567 20 30 FFEDLO CCn1cncc1/C=C1/CC(C(=O)OC)C/C(=C\c2c[nH+]cn2CC)C1=O ZINC000901498101 1019153292 /nfs/dbraw/zinc/15/32/92/1019153292.db2.gz FMMAUNQIKJFWDZ-DJJIWSAGSA-N 1 2 368.437 2.739 20 30 FFEDLO CCn1cncc1/C=C1\CC(C(=O)OC)C/C(=C/c2c[nH+]cn2CC)C1=O ZINC000901498101 1019153302 /nfs/dbraw/zinc/15/33/02/1019153302.db2.gz FMMAUNQIKJFWDZ-DJJIWSAGSA-N 1 2 368.437 2.739 20 30 FFEDLO C=CCOc1cccnc1C(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001047392974 1019202168 /nfs/dbraw/zinc/20/21/68/1019202168.db2.gz DLLYXDLTVMIKKA-JKSUJKDBSA-N 1 2 367.453 2.755 20 30 FFEDLO CCC(=CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21)CC ZINC001217643057 1032818793 /nfs/dbraw/zinc/81/87/93/1032818793.db2.gz FYRNKRUZMPUWNR-ZWKOTPCHSA-N 1 2 359.495 2.778 20 30 FFEDLO CCC(=CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21)CC ZINC001217643057 1032818816 /nfs/dbraw/zinc/81/88/16/1032818816.db2.gz FYRNKRUZMPUWNR-ZWKOTPCHSA-N 1 2 359.495 2.778 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001068605059 1019319199 /nfs/dbraw/zinc/31/91/99/1019319199.db2.gz IKGSJAVNWTUKBA-DDBAPUKQSA-N 1 2 370.497 2.950 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1N(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001069289360 1019411395 /nfs/dbraw/zinc/41/13/95/1019411395.db2.gz YTRNELIIFLTZNI-IIMDRIAPSA-N 1 2 370.497 2.611 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1N(c1cc(C)[nH+]c(CC)n1)CC2 ZINC001069289114 1019411791 /nfs/dbraw/zinc/41/17/91/1019411791.db2.gz VUIWPNBIQCGPHD-WOYCLPQFSA-N 1 2 370.497 2.556 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001043528371 1019484649 /nfs/dbraw/zinc/48/46/49/1019484649.db2.gz YXVGHARUUJPKNL-AZFSHXRASA-N 1 2 370.497 2.514 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001069687811 1019571267 /nfs/dbraw/zinc/57/12/67/1019571267.db2.gz UGOKYDMYQIMFGM-KSZLIROESA-N 1 2 358.486 2.584 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001069759479 1019589159 /nfs/dbraw/zinc/58/91/59/1019589159.db2.gz CTHKKAUXBUDOGW-LZJOCLMNSA-N 1 2 370.497 2.711 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001069759479 1019589169 /nfs/dbraw/zinc/58/91/69/1019589169.db2.gz CTHKKAUXBUDOGW-LZJOCLMNSA-N 1 2 370.497 2.711 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(F)ccc2F)c1 ZINC001095987617 1019705418 /nfs/dbraw/zinc/70/54/18/1019705418.db2.gz ILZXNIORXUOMCT-HOJAQTOUSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(F)ccc2F)c1 ZINC001095987617 1019705435 /nfs/dbraw/zinc/70/54/35/1019705435.db2.gz ILZXNIORXUOMCT-HOJAQTOUSA-N 1 2 367.399 2.876 20 30 FFEDLO Cc1cc(C#N)cc(NCc2ccc(OCC[NH+]3CCOCC3)cc2)n1 ZINC000902216366 1019975104 /nfs/dbraw/zinc/97/51/04/1019975104.db2.gz BWQILEDYNQPWSU-UHFFFAOYSA-N 1 2 352.438 2.585 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CCCCC2)CCC1 ZINC001110986970 1019997103 /nfs/dbraw/zinc/99/71/03/1019997103.db2.gz DDQZOSUVVUQAFS-QRVBRYPASA-N 1 2 373.541 2.903 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CCCCC2)CCC1 ZINC001110986970 1019997115 /nfs/dbraw/zinc/99/71/15/1019997115.db2.gz DDQZOSUVVUQAFS-QRVBRYPASA-N 1 2 373.541 2.903 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](Cc3noc4c3COCC4)CC2)c(F)c1 ZINC000930464082 1020043867 /nfs/dbraw/zinc/04/38/67/1020043867.db2.gz HGROELRVHKOUCT-UHFFFAOYSA-N 1 2 357.385 2.801 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2cccc(Cl)c2)O1 ZINC001096039376 1020074841 /nfs/dbraw/zinc/07/48/41/1020074841.db2.gz JHGSNNNTVZWTJC-JIKAWYKTSA-N 1 2 372.896 2.981 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2cccc(Cl)c2)O1 ZINC001096039376 1020074850 /nfs/dbraw/zinc/07/48/50/1020074850.db2.gz JHGSNNNTVZWTJC-JIKAWYKTSA-N 1 2 372.896 2.981 20 30 FFEDLO N#Cc1ccc([C@@H](O)C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000800581971 1020408999 /nfs/dbraw/zinc/40/89/99/1020408999.db2.gz ORCHCGVDSQRADM-IEBWSBKVSA-N 1 2 364.449 2.531 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903020807 1020631862 /nfs/dbraw/zinc/63/18/62/1020631862.db2.gz HBHFKXQMLCAKMP-IUODEOHRSA-N 1 2 370.844 2.515 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903020807 1020631867 /nfs/dbraw/zinc/63/18/67/1020631867.db2.gz HBHFKXQMLCAKMP-IUODEOHRSA-N 1 2 370.844 2.515 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)c(C)s2)nc1 ZINC001098237129 1020753498 /nfs/dbraw/zinc/75/34/98/1020753498.db2.gz CNBGLGAHRONFBK-NXHRZFHOSA-N 1 2 366.490 2.672 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)c(C)s2)nc1 ZINC001098237129 1020753503 /nfs/dbraw/zinc/75/35/03/1020753503.db2.gz CNBGLGAHRONFBK-NXHRZFHOSA-N 1 2 366.490 2.672 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(OC)c(OC)c1)C2 ZINC001098317038 1020816178 /nfs/dbraw/zinc/81/61/78/1020816178.db2.gz CYVFYVYWYWQPBE-OAGGEKHMSA-N 1 2 364.873 2.720 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(OC)c(OC)c1)C2 ZINC001098317038 1020816188 /nfs/dbraw/zinc/81/61/88/1020816188.db2.gz CYVFYVYWYWQPBE-OAGGEKHMSA-N 1 2 364.873 2.720 20 30 FFEDLO Cc1nc(N2CCN(C(=O)Nc3ccc(CCC#N)cc3)CC2)cc[nH+]1 ZINC000932568883 1020836511 /nfs/dbraw/zinc/83/65/11/1020836511.db2.gz KKILLNROXZROBJ-UHFFFAOYSA-N 1 2 350.426 2.595 20 30 FFEDLO Cc1c[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001098396469 1020871066 /nfs/dbraw/zinc/87/10/66/1020871066.db2.gz JPNURRDLGIUOGL-LZQZEXGQSA-N 1 2 352.413 2.869 20 30 FFEDLO Cc1c[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001098396469 1020871076 /nfs/dbraw/zinc/87/10/76/1020871076.db2.gz JPNURRDLGIUOGL-LZQZEXGQSA-N 1 2 352.413 2.869 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nnc1-c1ccccc1)C2 ZINC001098470524 1020937816 /nfs/dbraw/zinc/93/78/16/1020937816.db2.gz NIENKOWOAHULBM-KFWWJZLASA-N 1 2 357.845 2.559 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nnc1-c1ccccc1)C2 ZINC001098470524 1020937819 /nfs/dbraw/zinc/93/78/19/1020937819.db2.gz NIENKOWOAHULBM-KFWWJZLASA-N 1 2 357.845 2.559 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccccn2)C1 ZINC001098697719 1021046848 /nfs/dbraw/zinc/04/68/48/1021046848.db2.gz UBNRPWRATWIYPJ-UWJYYQICSA-N 1 2 364.424 2.877 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccccn2)C1 ZINC001098697719 1021046850 /nfs/dbraw/zinc/04/68/50/1021046850.db2.gz UBNRPWRATWIYPJ-UWJYYQICSA-N 1 2 364.424 2.877 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccnc2)C1 ZINC001098697604 1021046951 /nfs/dbraw/zinc/04/69/51/1021046951.db2.gz QCZSHZKFRBONNU-HOCLYGCPSA-N 1 2 350.260 2.575 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccnc2)C1 ZINC001098697604 1021046957 /nfs/dbraw/zinc/04/69/57/1021046957.db2.gz QCZSHZKFRBONNU-HOCLYGCPSA-N 1 2 350.260 2.575 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@H+](C[C@@H](O)COCc3ccccc3F)CCO2)cc1 ZINC000933624469 1021050921 /nfs/dbraw/zinc/05/09/21/1021050921.db2.gz ISNHCEIPQMNPPP-CTNGQTDRSA-N 1 2 370.424 2.648 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@@H+](C[C@@H](O)COCc3ccccc3F)CCO2)cc1 ZINC000933624469 1021050928 /nfs/dbraw/zinc/05/09/28/1021050928.db2.gz ISNHCEIPQMNPPP-CTNGQTDRSA-N 1 2 370.424 2.648 20 30 FFEDLO CCCC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933650801 1021059106 /nfs/dbraw/zinc/05/91/06/1021059106.db2.gz WKCDGGGELUOEHU-MRXNPFEDSA-N 1 2 361.442 2.818 20 30 FFEDLO C=CCn1cc2ccc(NC(=O)N3CCN(c4cccc[nH+]4)CC3)cc2n1 ZINC000933689492 1021069710 /nfs/dbraw/zinc/06/97/10/1021069710.db2.gz BSDLOQSRPISFTC-UHFFFAOYSA-N 1 2 362.437 2.971 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001010716728 1021485430 /nfs/dbraw/zinc/48/54/30/1021485430.db2.gz NHPGLUWCBZPCBP-QINHECLXSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001010716728 1021485436 /nfs/dbraw/zinc/48/54/36/1021485436.db2.gz NHPGLUWCBZPCBP-QINHECLXSA-N 1 2 370.497 2.567 20 30 FFEDLO C[NH+](C)Cc1nnc(C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 ZINC001117260298 1021628399 /nfs/dbraw/zinc/62/83/99/1021628399.db2.gz ILXFCUVNFDEDOM-UHFFFAOYSA-N 1 2 368.397 2.635 20 30 FFEDLO CCOCCO[C@H]1CC[N@H+](CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)C1 ZINC000750261748 1021629165 /nfs/dbraw/zinc/62/91/65/1021629165.db2.gz HPLVEHNJYGIBLZ-SBGXLDQMSA-N 1 2 372.509 2.994 20 30 FFEDLO CCOCCO[C@H]1CC[N@@H+](CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)C1 ZINC000750261748 1021629174 /nfs/dbraw/zinc/62/91/74/1021629174.db2.gz HPLVEHNJYGIBLZ-SBGXLDQMSA-N 1 2 372.509 2.994 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)CC1CCCC1)C2 ZINC001111093748 1021687129 /nfs/dbraw/zinc/68/71/29/1021687129.db2.gz HRDWHVLUINGPFP-MKXGPGLRSA-N 1 2 361.530 2.617 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)CC1CCCC1)C2 ZINC001111093748 1021687130 /nfs/dbraw/zinc/68/71/30/1021687130.db2.gz HRDWHVLUINGPFP-MKXGPGLRSA-N 1 2 361.530 2.617 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@]3(NC(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)CCC[C@@H]23)C1 ZINC001014324070 1021780633 /nfs/dbraw/zinc/78/06/33/1021780633.db2.gz HVWUNNJGKKRDCH-BONWFUQQSA-N 1 2 368.481 2.509 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@]3(NC(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)CCC[C@@H]23)C1 ZINC001014324070 1021780649 /nfs/dbraw/zinc/78/06/49/1021780649.db2.gz HVWUNNJGKKRDCH-BONWFUQQSA-N 1 2 368.481 2.509 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)c1 ZINC001014500146 1021877229 /nfs/dbraw/zinc/87/72/29/1021877229.db2.gz FUAIVKYHGROXMO-CEXWTWQISA-N 1 2 364.424 2.587 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)c1 ZINC001014500146 1021877241 /nfs/dbraw/zinc/87/72/41/1021877241.db2.gz FUAIVKYHGROXMO-CEXWTWQISA-N 1 2 364.424 2.587 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(=O)C1CCCCC1)C2 ZINC001111141221 1022072539 /nfs/dbraw/zinc/07/25/39/1022072539.db2.gz NNLPHSFAICTMEO-ZACQAIPSSA-N 1 2 367.921 2.547 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(=O)C1CCCCC1)C2 ZINC001111141221 1022072555 /nfs/dbraw/zinc/07/25/55/1022072555.db2.gz NNLPHSFAICTMEO-ZACQAIPSSA-N 1 2 367.921 2.547 20 30 FFEDLO CC(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038263966 1022638103 /nfs/dbraw/zinc/63/81/03/1022638103.db2.gz XWAABCNYDZAWLR-ACRUOGEOSA-N 1 2 354.494 2.680 20 30 FFEDLO CC(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038263966 1022638111 /nfs/dbraw/zinc/63/81/11/1022638111.db2.gz XWAABCNYDZAWLR-ACRUOGEOSA-N 1 2 354.494 2.680 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2ccco2)cc1F ZINC001038730638 1022696313 /nfs/dbraw/zinc/69/63/13/1022696313.db2.gz CHXQWNHXKYBYGQ-GVDBMIGSSA-N 1 2 353.397 2.785 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2ccco2)cc1F ZINC001038730638 1022696322 /nfs/dbraw/zinc/69/63/22/1022696322.db2.gz CHXQWNHXKYBYGQ-GVDBMIGSSA-N 1 2 353.397 2.785 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001038809991 1022716649 /nfs/dbraw/zinc/71/66/49/1022716649.db2.gz LXCMCDJEXDWQIV-CEXWTWQISA-N 1 2 353.466 2.694 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001038809991 1022716660 /nfs/dbraw/zinc/71/66/60/1022716660.db2.gz LXCMCDJEXDWQIV-CEXWTWQISA-N 1 2 353.466 2.694 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H](OC)C1 ZINC001122441521 1023270544 /nfs/dbraw/zinc/27/05/44/1023270544.db2.gz UUXZJNHDDFFHAO-SFHVURJKSA-N 1 2 372.517 2.562 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCO[C@H](c2ccco2)C1 ZINC001122441190 1023270678 /nfs/dbraw/zinc/27/06/78/1023270678.db2.gz QGEWVFDWWFCFFL-WBVHZDCISA-N 1 2 357.458 2.792 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCO[C@H](c2ccco2)C1 ZINC001122441190 1023270685 /nfs/dbraw/zinc/27/06/85/1023270685.db2.gz QGEWVFDWWFCFFL-WBVHZDCISA-N 1 2 357.458 2.792 20 30 FFEDLO C=C(C)Cn1c(N2CCC(C3CCC3)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001122482000 1023296486 /nfs/dbraw/zinc/29/64/86/1023296486.db2.gz JIZJTMHDPUXWEK-WIYYLYMNSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC(C3CCC3)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001122482000 1023296489 /nfs/dbraw/zinc/29/64/89/1023296489.db2.gz JIZJTMHDPUXWEK-WIYYLYMNSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCCC3(CCCC3)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001122482939 1023296735 /nfs/dbraw/zinc/29/67/35/1023296735.db2.gz PRTXWPLMWVFSES-YLJYHZDGSA-N 1 2 373.545 2.926 20 30 FFEDLO C=C(C)Cn1c(N2CCCC3(CCCC3)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001122482939 1023296742 /nfs/dbraw/zinc/29/67/42/1023296742.db2.gz PRTXWPLMWVFSES-YLJYHZDGSA-N 1 2 373.545 2.926 20 30 FFEDLO NC(=NOCc1ccc(F)cc1F)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000753973441 1023407943 /nfs/dbraw/zinc/40/79/43/1023407943.db2.gz FFRHBGWXGWXXGZ-UHFFFAOYSA-N 1 2 361.392 2.634 20 30 FFEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCOC(C)(C)C1 ZINC001122740323 1023441469 /nfs/dbraw/zinc/44/14/69/1023441469.db2.gz PFPIDSKWIZRFTG-UHFFFAOYSA-N 1 2 374.533 2.642 20 30 FFEDLO COc1cccc([C@@H]2CN(C(=O)c3c(F)cc(C#N)cc3F)CC[NH2+]2)c1 ZINC001120765508 1023456999 /nfs/dbraw/zinc/45/69/99/1023456999.db2.gz DVGIMLOXXKCMNQ-KRWDZBQOSA-N 1 2 357.360 2.632 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc([C@@H]3CCC[N@H+]3C)n2C[C@@H]2CCOC2)C1 ZINC001123113989 1023641269 /nfs/dbraw/zinc/64/12/69/1023641269.db2.gz RCBBSTBIMPBEGV-SQNIBIBYSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2C[C@@H]2CCOC2)C1 ZINC001123113989 1023641276 /nfs/dbraw/zinc/64/12/76/1023641276.db2.gz RCBBSTBIMPBEGV-SQNIBIBYSA-N 1 2 359.518 2.874 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc(Cc3[nH+]ccn3Cc3ccccc3)n2C)C1 ZINC001121268833 1023680438 /nfs/dbraw/zinc/68/04/38/1023680438.db2.gz WUJBZEUNCUVAMU-GOSISDBHSA-N 1 2 374.492 2.890 20 30 FFEDLO C=CCn1c(-c2ccco2)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001121466953 1023793183 /nfs/dbraw/zinc/79/31/83/1023793183.db2.gz CGPNZMFWDAVWCO-UHFFFAOYSA-N 1 2 350.426 2.748 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001121590221 1023868131 /nfs/dbraw/zinc/86/81/31/1023868131.db2.gz MHSPMSJBWQQQDX-YLJYHZDGSA-N 1 2 370.501 2.913 20 30 FFEDLO C=CCn1c([C@H]2CC=CCC2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001121605135 1023876265 /nfs/dbraw/zinc/87/62/65/1023876265.db2.gz WFQXLPFYEHOAQR-KRWDZBQOSA-N 1 2 368.485 2.906 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C(C)C)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121607935 1023878166 /nfs/dbraw/zinc/87/81/66/1023878166.db2.gz QIDZUJWOKIQCGZ-QKLQHJQFSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C(C)C)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121607935 1023878177 /nfs/dbraw/zinc/87/81/77/1023878177.db2.gz QIDZUJWOKIQCGZ-QKLQHJQFSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(CCOC)Cc1ccco1 ZINC001121612725 1023881547 /nfs/dbraw/zinc/88/15/47/1023881547.db2.gz NZEHGXRPZUQJSY-KRWDZBQOSA-N 1 2 359.474 2.867 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(CCOC)Cc1ccco1 ZINC001121612725 1023881559 /nfs/dbraw/zinc/88/15/59/1023881559.db2.gz NZEHGXRPZUQJSY-KRWDZBQOSA-N 1 2 359.474 2.867 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](Cc3ccccc3)CCO2)nnc1N(C)C1CC1 ZINC001121627694 1023890600 /nfs/dbraw/zinc/89/06/00/1023890600.db2.gz QIWQKHYEGBBZKQ-GOSISDBHSA-N 1 2 353.470 2.636 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](Cc3ccccc3)CCO2)nnc1N(C)C1CC1 ZINC001121627694 1023890605 /nfs/dbraw/zinc/89/06/05/1023890605.db2.gz QIWQKHYEGBBZKQ-GOSISDBHSA-N 1 2 353.470 2.636 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2C2CCCCC2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001121709039 1023938655 /nfs/dbraw/zinc/93/86/55/1023938655.db2.gz PTZVOMHDDCHPRS-WAOWUJCRSA-N 1 2 373.545 2.925 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2C2CCCCC2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121709039 1023938659 /nfs/dbraw/zinc/93/86/59/1023938659.db2.gz PTZVOMHDDCHPRS-WAOWUJCRSA-N 1 2 373.545 2.925 20 30 FFEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(Cn2cccc(C#N)c2=O)CC1 ZINC000758221391 1023976654 /nfs/dbraw/zinc/97/66/54/1023976654.db2.gz BYCXKTUMUSLOMO-LJQANCHMSA-N 1 2 372.419 2.725 20 30 FFEDLO CC#CCCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001218485898 1033177116 /nfs/dbraw/zinc/17/71/16/1033177116.db2.gz AFJBTDAHYWOAIG-RBUKOAKNSA-N 1 2 360.885 2.945 20 30 FFEDLO CC#CCCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001218485898 1033177122 /nfs/dbraw/zinc/17/71/22/1033177122.db2.gz AFJBTDAHYWOAIG-RBUKOAKNSA-N 1 2 360.885 2.945 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2C[N@H+](Cc3nncn3-c3ccccc3)C[C@@]2(C)C1 ZINC001101167648 1023985722 /nfs/dbraw/zinc/98/57/22/1023985722.db2.gz NMUCPZHWQGZGPD-UTKZUKDTSA-N 1 2 365.481 2.514 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+](Cc3nncn3-c3ccccc3)C[C@@]2(C)C1 ZINC001101167648 1023985733 /nfs/dbraw/zinc/98/57/33/1023985733.db2.gz NMUCPZHWQGZGPD-UTKZUKDTSA-N 1 2 365.481 2.514 20 30 FFEDLO CC[C@H]1C[N@H+](Cn2ccc(C)c(C#N)c2=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000758243292 1023991529 /nfs/dbraw/zinc/99/15/29/1023991529.db2.gz PINXWSNVBADSSU-RDJZCZTQSA-N 1 2 374.485 2.611 20 30 FFEDLO CC[C@H]1C[N@@H+](Cn2ccc(C)c(C#N)c2=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000758243292 1023991534 /nfs/dbraw/zinc/99/15/34/1023991534.db2.gz PINXWSNVBADSSU-RDJZCZTQSA-N 1 2 374.485 2.611 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(CC)s3)C[C@@]2(C)C1 ZINC001101252185 1024199586 /nfs/dbraw/zinc/19/95/86/1024199586.db2.gz DWNSREXKFBISQI-KUHUBIRLSA-N 1 2 362.543 2.983 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@H+](Cc3nnc(CC)s3)C[C@@]2(C)C1 ZINC001101252185 1024199592 /nfs/dbraw/zinc/19/95/92/1024199592.db2.gz DWNSREXKFBISQI-KUHUBIRLSA-N 1 2 362.543 2.983 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3C[N@@H+]([C@H](C)c4csnn4)C[C@@]3(C)C2)CCC1 ZINC001101266456 1024262522 /nfs/dbraw/zinc/26/25/22/1024262522.db2.gz CRLPIPWBILLMGU-RKVPGOIHSA-N 1 2 358.511 2.573 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3C[N@H+]([C@H](C)c4csnn4)C[C@@]3(C)C2)CCC1 ZINC001101266456 1024262536 /nfs/dbraw/zinc/26/25/36/1024262536.db2.gz CRLPIPWBILLMGU-RKVPGOIHSA-N 1 2 358.511 2.573 20 30 FFEDLO C=CCN(c1nnc(Cc2[nH+]ccn2C)n1CCc1ccccc1)C1CC1 ZINC001122103756 1024339841 /nfs/dbraw/zinc/33/98/41/1024339841.db2.gz RNNHDMZUOWZFEN-UHFFFAOYSA-N 1 2 362.481 3.000 20 30 FFEDLO C=CC1(CC(=O)N2C[C@H]3C[N@@H+](Cc4ncnn4C)C[C@@]3(C)C2)CCCCC1 ZINC001101389986 1024611494 /nfs/dbraw/zinc/61/14/94/1024611494.db2.gz JXWZDONRMOVYJE-XLIONFOSSA-N 1 2 371.529 2.622 20 30 FFEDLO C=CC1(CC(=O)N2C[C@H]3C[N@H+](Cc4ncnn4C)C[C@@]3(C)C2)CCCCC1 ZINC001101389986 1024611503 /nfs/dbraw/zinc/61/15/03/1024611503.db2.gz JXWZDONRMOVYJE-XLIONFOSSA-N 1 2 371.529 2.622 20 30 FFEDLO CCCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)[nH]n1 ZINC001095846648 1024823901 /nfs/dbraw/zinc/82/39/01/1024823901.db2.gz GNCCJJIVDXEXST-SKDZVZGDSA-N 1 2 369.494 2.831 20 30 FFEDLO CCCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)[nH]n1 ZINC001095846648 1024823918 /nfs/dbraw/zinc/82/39/18/1024823918.db2.gz GNCCJJIVDXEXST-SKDZVZGDSA-N 1 2 369.494 2.831 20 30 FFEDLO C=C1CCC(C(=O)N2CCC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC000954047958 1025431603 /nfs/dbraw/zinc/43/16/03/1025431603.db2.gz XMJKBWSSVSLOCY-QZTJIDSGSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C1CCC(C(=O)N2CCC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC000954047958 1025431615 /nfs/dbraw/zinc/43/16/15/1025431615.db2.gz XMJKBWSSVSLOCY-QZTJIDSGSA-N 1 2 370.497 2.709 20 30 FFEDLO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@H+](Cc1sc(N)c(C#N)c1Cl)C2 ZINC001141106966 1025465366 /nfs/dbraw/zinc/46/53/66/1025465366.db2.gz LSSJQGYYLNNJLQ-FVMDXXJSSA-N 1 2 368.890 2.954 20 30 FFEDLO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@@H+](Cc1sc(N)c(C#N)c1Cl)C2 ZINC001141106966 1025465373 /nfs/dbraw/zinc/46/53/73/1025465373.db2.gz LSSJQGYYLNNJLQ-FVMDXXJSSA-N 1 2 368.890 2.954 20 30 FFEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1ccc(F)cc1C#N)C2 ZINC001141165268 1025550026 /nfs/dbraw/zinc/55/00/26/1025550026.db2.gz XNQQVMQRDXAHNH-UHFFFAOYSA-N 1 2 356.449 2.535 20 30 FFEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1ccc(F)cc1C#N)C2 ZINC001141165268 1025550029 /nfs/dbraw/zinc/55/00/29/1025550029.db2.gz XNQQVMQRDXAHNH-UHFFFAOYSA-N 1 2 356.449 2.535 20 30 FFEDLO C[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1CCNC(=O)C(F)C(F)(F)F ZINC001103011457 1026875336 /nfs/dbraw/zinc/87/53/36/1026875336.db2.gz DXAJIYYXZPBCSA-BBBLOLIVSA-N 1 2 352.294 2.913 20 30 FFEDLO C[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1CCNC(=O)C(F)C(F)(F)F ZINC001103011457 1026875344 /nfs/dbraw/zinc/87/53/44/1026875344.db2.gz DXAJIYYXZPBCSA-BBBLOLIVSA-N 1 2 352.294 2.913 20 30 FFEDLO C[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1CCNC(=O)[C@H](F)C(F)(F)F ZINC001103011457 1026875351 /nfs/dbraw/zinc/87/53/51/1026875351.db2.gz DXAJIYYXZPBCSA-BBBLOLIVSA-N 1 2 352.294 2.913 20 30 FFEDLO C[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1CCNC(=O)[C@H](F)C(F)(F)F ZINC001103011457 1026875361 /nfs/dbraw/zinc/87/53/61/1026875361.db2.gz DXAJIYYXZPBCSA-BBBLOLIVSA-N 1 2 352.294 2.913 20 30 FFEDLO C[C@@H]1C[NH+](C2CN(Cc3ccc(Br)cc3C#N)C2)C[C@@H](C)O1 ZINC001141818502 1027010549 /nfs/dbraw/zinc/01/05/49/1027010549.db2.gz GNJMJECUSXIEOG-CHWSQXEVSA-N 1 2 364.287 2.614 20 30 FFEDLO N#Cc1c(F)ccnc1N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001158586539 1027069530 /nfs/dbraw/zinc/06/95/30/1027069530.db2.gz QJGQIRCAPKTWAU-MAUKXSAKSA-N 1 2 368.412 2.963 20 30 FFEDLO C[N@@H+]1CCOC[C@@H]1CNc1cc(F)c(C#N)cc1-c1ccnc(Cl)n1 ZINC001158706635 1027099229 /nfs/dbraw/zinc/09/92/29/1027099229.db2.gz CHXACCFLXPCWHK-LBPRGKRZSA-N 1 2 361.808 2.550 20 30 FFEDLO C[N@H+]1CCOC[C@@H]1CNc1cc(F)c(C#N)cc1-c1ccnc(Cl)n1 ZINC001158706635 1027099244 /nfs/dbraw/zinc/09/92/44/1027099244.db2.gz CHXACCFLXPCWHK-LBPRGKRZSA-N 1 2 361.808 2.550 20 30 FFEDLO CSc1nc(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)ccc1C#N ZINC001141945895 1027200578 /nfs/dbraw/zinc/20/05/78/1027200578.db2.gz QSPYQWGOTWUTEZ-HNNXBMFYSA-N 1 2 352.454 2.981 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(OC)c3c(c2)OCCO3)c1 ZINC000092143206 1027233289 /nfs/dbraw/zinc/23/32/89/1027233289.db2.gz HSYYTHNNQUZDKG-UHFFFAOYSA-N 1 2 366.417 2.518 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(OC)c3c(c2)OCCO3)c1 ZINC000092143206 1027233298 /nfs/dbraw/zinc/23/32/98/1027233298.db2.gz HSYYTHNNQUZDKG-UHFFFAOYSA-N 1 2 366.417 2.518 20 30 FFEDLO Cc1cc2c(nc[nH+]c2NCCCS)n1S(=O)(=O)c1ccccc1 ZINC001159869683 1027523332 /nfs/dbraw/zinc/52/33/32/1027523332.db2.gz AUZQAQZBJVCVCD-UHFFFAOYSA-N 1 2 362.480 2.709 20 30 FFEDLO C#CCOc1ccccc1C[N@@H+](CCO)Cc1cc(OC)ccc1OC ZINC000093361540 1027702389 /nfs/dbraw/zinc/70/23/89/1027702389.db2.gz FNEAMKUNTDONPZ-UHFFFAOYSA-N 1 2 355.434 2.710 20 30 FFEDLO C#CCOc1ccccc1C[N@H+](CCO)Cc1cc(OC)ccc1OC ZINC000093361540 1027702404 /nfs/dbraw/zinc/70/24/04/1027702404.db2.gz FNEAMKUNTDONPZ-UHFFFAOYSA-N 1 2 355.434 2.710 20 30 FFEDLO N#Cc1cnc(Cl)cc1C(F)(F)NCC[NH+]1CCC(F)(F)CC1 ZINC001160749417 1027855417 /nfs/dbraw/zinc/85/54/17/1027855417.db2.gz VHTQOLJKNCARQX-UHFFFAOYSA-N 1 2 350.747 2.977 20 30 FFEDLO Cc1c[nH+]c(NCC2CCN(C(=O)c3ccncc3)CC2)c(/C=N/O)c1 ZINC001161199700 1028061865 /nfs/dbraw/zinc/06/18/65/1028061865.db2.gz SKIVJLVXMADLPS-YDZHTSKRSA-N 1 2 353.426 2.557 20 30 FFEDLO CCCCCCCC(=O)c1ccc(O)c(C(=O)N2C[C@H]([NH3+])C3(COC3)C2)c1 ZINC001161506162 1028205969 /nfs/dbraw/zinc/20/59/69/1028205969.db2.gz BLJUEYHMSOTVPY-IBGZPJMESA-N 1 2 374.481 2.735 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2noc(C3CCC3)n2)C1 ZINC001104126846 1028590905 /nfs/dbraw/zinc/59/09/05/1028590905.db2.gz DTZVSKUZGGDDQQ-NVXWUHKLSA-N 1 2 358.486 2.715 20 30 FFEDLO N#Cc1ccc(NC2CC[NH+]([C@H]3CCOC3=O)CC2)cc1Br ZINC001162832961 1028674822 /nfs/dbraw/zinc/67/48/22/1028674822.db2.gz LUTZCIDPPFCWNQ-HNNXBMFYSA-N 1 2 364.243 2.513 20 30 FFEDLO N#Cc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)nc1 ZINC000780652100 1028759067 /nfs/dbraw/zinc/75/90/67/1028759067.db2.gz VFWCKLZNLKQPBX-WOJBJXKFSA-N 1 2 372.432 2.878 20 30 FFEDLO CC(=O)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(C#N)ccc1F)C2 ZINC001111588770 1028842419 /nfs/dbraw/zinc/84/24/19/1028842419.db2.gz JNMSUBAZTIGNNS-RXVVDRJESA-N 1 2 371.456 2.927 20 30 FFEDLO CC(=O)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(C#N)ccc1F)C2 ZINC001111588770 1028842431 /nfs/dbraw/zinc/84/24/31/1028842431.db2.gz JNMSUBAZTIGNNS-RXVVDRJESA-N 1 2 371.456 2.927 20 30 FFEDLO N#Cc1ccc([C@@H](O)C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000780908302 1028862239 /nfs/dbraw/zinc/86/22/39/1028862239.db2.gz YBZATDHLGFIAGV-LJQANCHMSA-N 1 2 362.389 2.506 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(-c3ccccc3)nn1)C2 ZINC001111648897 1029042482 /nfs/dbraw/zinc/04/24/82/1029042482.db2.gz UEBCHIVLTBJRAI-UWJYYQICSA-N 1 2 365.481 2.704 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(-c3ccccc3)nn1)C2 ZINC001111648897 1029042500 /nfs/dbraw/zinc/04/25/00/1029042500.db2.gz UEBCHIVLTBJRAI-UWJYYQICSA-N 1 2 365.481 2.704 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccccc1OC)C2 ZINC001111650557 1029050369 /nfs/dbraw/zinc/05/03/69/1029050369.db2.gz WTJJXNSERYZGTE-KKSFZXQISA-N 1 2 371.481 2.571 20 30 FFEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)Nc1ccccc1OC)C2 ZINC001111650557 1029050376 /nfs/dbraw/zinc/05/03/76/1029050376.db2.gz WTJJXNSERYZGTE-KKSFZXQISA-N 1 2 371.481 2.571 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(CC)o1)C2 ZINC001111757547 1029357859 /nfs/dbraw/zinc/35/78/59/1029357859.db2.gz FFZMJTCTJIMVJE-JXFKEZNVSA-N 1 2 358.486 2.871 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(CC)o1)C2 ZINC001111757547 1029357877 /nfs/dbraw/zinc/35/78/77/1029357877.db2.gz FFZMJTCTJIMVJE-JXFKEZNVSA-N 1 2 358.486 2.871 20 30 FFEDLO Cc1nc(NCc2cccc(C(=O)NCc3ccc(C#N)cn3)c2)cc[nH+]1 ZINC000782027078 1029530628 /nfs/dbraw/zinc/53/06/28/1029530628.db2.gz FYAICVCKVYEJDJ-UHFFFAOYSA-N 1 2 358.405 2.594 20 30 FFEDLO C=C(C)C(=O)OCCNc1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001157304769 1029543183 /nfs/dbraw/zinc/54/31/83/1029543183.db2.gz SMIAEFLPHVOKMG-UHFFFAOYSA-N 1 2 352.438 2.566 20 30 FFEDLO C=C(C)C(=O)OCCNc1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001157304769 1029543190 /nfs/dbraw/zinc/54/31/90/1029543190.db2.gz SMIAEFLPHVOKMG-UHFFFAOYSA-N 1 2 352.438 2.566 20 30 FFEDLO CC(C)(C)OC(=O)NC(C)(C)c1noc(C[NH+]2CCC(CC#N)CC2)n1 ZINC000782088453 1029563524 /nfs/dbraw/zinc/56/35/24/1029563524.db2.gz MNLWQAJKDQNAGZ-UHFFFAOYSA-N 1 2 363.462 2.955 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(C(C)C)nn1)C2 ZINC001111833793 1029582939 /nfs/dbraw/zinc/58/29/39/1029582939.db2.gz HSWXYXRLGIRLIE-RXVVDRJESA-N 1 2 371.529 2.913 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(C(C)C)nn1)C2 ZINC001111833793 1029582943 /nfs/dbraw/zinc/58/29/43/1029582943.db2.gz HSWXYXRLGIRLIE-RXVVDRJESA-N 1 2 371.529 2.913 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)n1CC)C2 ZINC001111850451 1029616173 /nfs/dbraw/zinc/61/61/73/1029616173.db2.gz NGUXVFTXULSBDW-ZWOKBUDYSA-N 1 2 359.518 2.679 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)n1CC)C2 ZINC001111850451 1029616181 /nfs/dbraw/zinc/61/61/81/1029616181.db2.gz NGUXVFTXULSBDW-ZWOKBUDYSA-N 1 2 359.518 2.679 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(CC3CC3)nn1)C2 ZINC001111858922 1029630480 /nfs/dbraw/zinc/63/04/80/1029630480.db2.gz FSJIBIOIFRUALI-PXNSSMCTSA-N 1 2 357.502 2.515 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(CC3CC3)nn1)C2 ZINC001111858922 1029630484 /nfs/dbraw/zinc/63/04/84/1029630484.db2.gz FSJIBIOIFRUALI-PXNSSMCTSA-N 1 2 357.502 2.515 20 30 FFEDLO C=CCCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncc(C(C)C)o1)C2 ZINC001112017852 1029867217 /nfs/dbraw/zinc/86/72/17/1029867217.db2.gz UJEZMBVSDYBVIC-JXFKEZNVSA-N 1 2 361.486 2.861 20 30 FFEDLO C=CCCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncc(C(C)C)o1)C2 ZINC001112017852 1029867225 /nfs/dbraw/zinc/86/72/25/1029867225.db2.gz UJEZMBVSDYBVIC-JXFKEZNVSA-N 1 2 361.486 2.861 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc2c(c1)OCCCO2 ZINC001142262473 1030233334 /nfs/dbraw/zinc/23/33/34/1030233334.db2.gz DYIQLLFUSUNXOR-GOSISDBHSA-N 1 2 369.465 2.883 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc2c(c1)OCCCO2 ZINC001142262473 1030233347 /nfs/dbraw/zinc/23/33/47/1030233347.db2.gz DYIQLLFUSUNXOR-GOSISDBHSA-N 1 2 369.465 2.883 20 30 FFEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCN(c4cc(C(F)(F)F)ncn4)CC3)c12 ZINC001166764572 1030511690 /nfs/dbraw/zinc/51/16/90/1030511690.db2.gz VKLRVEOREBUZAL-UHFFFAOYSA-N 1 2 373.342 2.570 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC(C)(C)C1 ZINC000784349114 1030582758 /nfs/dbraw/zinc/58/27/58/1030582758.db2.gz NEFVPMXTZIGGBE-DZGCQCFKSA-N 1 2 352.438 2.880 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC(C)(C)C1 ZINC000784349114 1030582769 /nfs/dbraw/zinc/58/27/69/1030582769.db2.gz NEFVPMXTZIGGBE-DZGCQCFKSA-N 1 2 352.438 2.880 20 30 FFEDLO C[C@@]1(C#N)CCC[N@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC000784451522 1030626727 /nfs/dbraw/zinc/62/67/27/1030626727.db2.gz HJPGBJWJFCCJJD-IBGZPJMESA-N 1 2 374.510 2.680 20 30 FFEDLO C[C@@]1(C#N)CCC[N@@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC000784451522 1030626733 /nfs/dbraw/zinc/62/67/33/1030626733.db2.gz HJPGBJWJFCCJJD-IBGZPJMESA-N 1 2 374.510 2.680 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(F)cc(OCC)cc1F ZINC001276407766 1030650696 /nfs/dbraw/zinc/65/06/96/1030650696.db2.gz FYAOIMUQRXGCDI-HXUWFJFHSA-N 1 2 362.420 2.954 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(F)cc(OCC)cc1F ZINC001276407766 1030650702 /nfs/dbraw/zinc/65/07/02/1030650702.db2.gz FYAOIMUQRXGCDI-HXUWFJFHSA-N 1 2 362.420 2.954 20 30 FFEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(F)c(Cl)c1F)CC2 ZINC001276416068 1030831480 /nfs/dbraw/zinc/83/14/80/1030831480.db2.gz QFEDJPMXBFBOHQ-ZDUSSCGKSA-N 1 2 352.812 2.970 20 30 FFEDLO N#Cc1cc(C(=O)OCC2CN(c3cccc[nH+]3)C2)cnc1C(F)(F)F ZINC000842883495 1031017561 /nfs/dbraw/zinc/01/75/61/1031017561.db2.gz JNQSFCWHHGWVNC-UHFFFAOYSA-N 1 2 362.311 2.660 20 30 FFEDLO C=CCN1CC[C@@H](OC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1=O ZINC000798614689 1031477202 /nfs/dbraw/zinc/47/72/02/1031477202.db2.gz BLLNXXZFORWNOP-FXAWDEMLSA-N 1 2 370.493 2.660 20 30 FFEDLO N#Cc1cc(Br)ccc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001150468544 1031719453 /nfs/dbraw/zinc/71/94/53/1031719453.db2.gz GMLZSFIUPUMVHU-UHFFFAOYSA-N 1 2 355.195 2.898 20 30 FFEDLO C#CCOc1ccccc1OS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000799770311 1031875403 /nfs/dbraw/zinc/87/54/03/1031875403.db2.gz WADHJVOUUXXLIH-UHFFFAOYSA-N 1 2 368.414 2.711 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3cn(C(C)C)nn3)[C@H]2C1 ZINC001223338547 1033402983 /nfs/dbraw/zinc/40/29/83/1033402983.db2.gz SIGHQGQYKCNSAR-LMMKCTJWSA-N 1 2 359.518 2.884 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(C(C)C)nn3)[C@H]2C1 ZINC001223338547 1033402998 /nfs/dbraw/zinc/40/29/98/1033402998.db2.gz SIGHQGQYKCNSAR-LMMKCTJWSA-N 1 2 359.518 2.884 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C4CC4)nn3C)[C@H]2C1 ZINC001223344193 1033403028 /nfs/dbraw/zinc/40/30/28/1033403028.db2.gz GSQKKQWIKCSGQQ-JZXOWHBKSA-N 1 2 371.529 2.718 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C4CC4)nn3C)[C@H]2C1 ZINC001223344193 1033403038 /nfs/dbraw/zinc/40/30/38/1033403038.db2.gz GSQKKQWIKCSGQQ-JZXOWHBKSA-N 1 2 371.529 2.718 20 30 FFEDLO CCOC(=O)c1cnc(CO[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)s1 ZINC001224120552 1033725541 /nfs/dbraw/zinc/72/55/41/1033725541.db2.gz MZGKJSMGVPHANQ-MRXNPFEDSA-N 1 2 371.462 2.983 20 30 FFEDLO CCOC(=O)c1cnc(CO[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)s1 ZINC001224120552 1033725552 /nfs/dbraw/zinc/72/55/52/1033725552.db2.gz MZGKJSMGVPHANQ-MRXNPFEDSA-N 1 2 371.462 2.983 20 30 FFEDLO N#Cc1cccnc1-n1cc(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC001138095563 1033735684 /nfs/dbraw/zinc/73/56/84/1033735684.db2.gz WZSFUIPMNYJDGV-UHFFFAOYSA-N 1 2 369.388 2.506 20 30 FFEDLO CCC[C@@H](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001219700370 1033765797 /nfs/dbraw/zinc/76/57/97/1033765797.db2.gz OXZZZFNPAWMIQX-AHRSYUTCSA-N 1 2 357.498 2.826 20 30 FFEDLO CCC[C@@H](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001219700370 1033765806 /nfs/dbraw/zinc/76/58/06/1033765806.db2.gz OXZZZFNPAWMIQX-AHRSYUTCSA-N 1 2 357.498 2.826 20 30 FFEDLO C[C@H](CN1C[C@@]2(F)C[N@H+](CCCCC#N)C[C@@]2(F)C1=O)CC(F)(F)F ZINC001276955270 1033793791 /nfs/dbraw/zinc/79/37/91/1033793791.db2.gz HSTANHUQGDIHMI-AEGPPILISA-N 1 2 367.362 2.843 20 30 FFEDLO C[C@H](CN1C[C@@]2(F)C[N@@H+](CCCCC#N)C[C@@]2(F)C1=O)CC(F)(F)F ZINC001276955270 1033793805 /nfs/dbraw/zinc/79/38/05/1033793805.db2.gz HSTANHUQGDIHMI-AEGPPILISA-N 1 2 367.362 2.843 20 30 FFEDLO N#CCn1c(C[N@@H+]2CCC[C@H]2COc2ccccc2)nc2ccccc2c1=O ZINC000830872361 1033835594 /nfs/dbraw/zinc/83/55/94/1033835594.db2.gz DKNVPIITTMAMBI-KRWDZBQOSA-N 1 2 374.444 2.963 20 30 FFEDLO N#CCn1c(C[N@H+]2CCC[C@H]2COc2ccccc2)nc2ccccc2c1=O ZINC000830872361 1033835603 /nfs/dbraw/zinc/83/56/03/1033835603.db2.gz DKNVPIITTMAMBI-KRWDZBQOSA-N 1 2 374.444 2.963 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O)C(C)(C)C ZINC001219882136 1033867580 /nfs/dbraw/zinc/86/75/80/1033867580.db2.gz VHZZSGYLQFBLKE-OLMNPRSZSA-N 1 2 362.901 2.535 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O)C(C)(C)C ZINC001219882136 1033867591 /nfs/dbraw/zinc/86/75/91/1033867591.db2.gz VHZZSGYLQFBLKE-OLMNPRSZSA-N 1 2 362.901 2.535 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)c(F)c3)n2CC2CC2)CC1 ZINC000831051649 1033933183 /nfs/dbraw/zinc/93/31/83/1033933183.db2.gz YYSKGLCPXDMRHW-UHFFFAOYSA-N 1 2 353.445 2.558 20 30 FFEDLO CCCC[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001220032572 1033949320 /nfs/dbraw/zinc/94/93/20/1033949320.db2.gz YIUGIIBRMQUSTQ-AHRSYUTCSA-N 1 2 357.498 2.826 20 30 FFEDLO CCCC[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001220032572 1033949327 /nfs/dbraw/zinc/94/93/27/1033949327.db2.gz YIUGIIBRMQUSTQ-AHRSYUTCSA-N 1 2 357.498 2.826 20 30 FFEDLO C=CCN1CC[C@]2(CC[N@@H+](Cc3nc(C)sc3Br)C2)C1=O ZINC001276991671 1033981664 /nfs/dbraw/zinc/98/16/64/1033981664.db2.gz CVWWDXVAZSGYBC-HNNXBMFYSA-N 1 2 370.316 2.824 20 30 FFEDLO C=CCN1CC[C@]2(CC[N@H+](Cc3nc(C)sc3Br)C2)C1=O ZINC001276991671 1033981673 /nfs/dbraw/zinc/98/16/73/1033981673.db2.gz CVWWDXVAZSGYBC-HNNXBMFYSA-N 1 2 370.316 2.824 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccc(C)cc3)no2)C[C@@H]1O ZINC001220249696 1034070168 /nfs/dbraw/zinc/07/01/68/1034070168.db2.gz WUGRPAZKPRLNIH-UXHICEINSA-N 1 2 369.465 2.668 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccc(C)cc3)no2)C[C@@H]1O ZINC001220249696 1034070184 /nfs/dbraw/zinc/07/01/84/1034070184.db2.gz WUGRPAZKPRLNIH-UXHICEINSA-N 1 2 369.465 2.668 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001220280406 1034095661 /nfs/dbraw/zinc/09/56/61/1034095661.db2.gz IQXYSXALZOXFIR-RYRKJORJSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001220280406 1034095677 /nfs/dbraw/zinc/09/56/77/1034095677.db2.gz IQXYSXALZOXFIR-RYRKJORJSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)C[C@@H]1O ZINC001220293440 1034103583 /nfs/dbraw/zinc/10/35/83/1034103583.db2.gz HQEDCKWBUQYQQY-AOIWGVFYSA-N 1 2 350.890 2.912 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)C[C@@H]1O ZINC001220293440 1034103587 /nfs/dbraw/zinc/10/35/87/1034103587.db2.gz HQEDCKWBUQYQQY-AOIWGVFYSA-N 1 2 350.890 2.912 20 30 FFEDLO COC(=O)c1ccc(C(=[NH2+])NC(O)=C2CCC[C@@H](c3ccccc3)N2)cc1 ZINC001220581909 1034268626 /nfs/dbraw/zinc/26/86/26/1034268626.db2.gz XSYRJGUTRIKVPN-ZWKOTPCHSA-N 1 2 365.433 2.589 20 30 FFEDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@]2(C#N)CCCOC2)CC1 ZINC000831867806 1034361497 /nfs/dbraw/zinc/36/14/97/1034361497.db2.gz FZAJONBPSIMKNW-QUCCMNQESA-N 1 2 359.445 2.741 20 30 FFEDLO C=CCc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)c1O ZINC001138629064 1034481037 /nfs/dbraw/zinc/48/10/37/1034481037.db2.gz MTVDMGKWYPCGQQ-UHFFFAOYSA-N 1 2 372.490 2.627 20 30 FFEDLO CCCCCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001221030234 1034505265 /nfs/dbraw/zinc/50/52/65/1034505265.db2.gz AQBPTWFSGCPZNS-SJORKVTESA-N 1 2 363.527 2.888 20 30 FFEDLO CCCCCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001221030234 1034505279 /nfs/dbraw/zinc/50/52/79/1034505279.db2.gz AQBPTWFSGCPZNS-SJORKVTESA-N 1 2 363.527 2.888 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc4ccc(Br)cc4o3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226301164 1034619379 /nfs/dbraw/zinc/61/93/79/1034619379.db2.gz HSWBLKFFWWPTNS-LSVRBPJHSA-N 1 2 351.200 2.582 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc4ccc(Br)cc4o3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226301164 1034619381 /nfs/dbraw/zinc/61/93/81/1034619381.db2.gz HSWBLKFFWWPTNS-LSVRBPJHSA-N 1 2 351.200 2.582 20 30 FFEDLO CC(C)SCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001221283786 1034644078 /nfs/dbraw/zinc/64/40/78/1034644078.db2.gz FNUHYQDUDUYGLM-SJLPKXTDSA-N 1 2 361.486 2.872 20 30 FFEDLO CC(C)SCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001221283786 1034644085 /nfs/dbraw/zinc/64/40/85/1034644085.db2.gz FNUHYQDUDUYGLM-SJLPKXTDSA-N 1 2 361.486 2.872 20 30 FFEDLO C=C(C)C(=O)OC[C@H](C)Oc1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001226558819 1034734775 /nfs/dbraw/zinc/73/47/75/1034734775.db2.gz HDBRDEYLFORYJK-INIZCTEOSA-N 1 2 367.449 2.922 20 30 FFEDLO C=C(C)C(=O)OC[C@H](C)Oc1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001226558819 1034734783 /nfs/dbraw/zinc/73/47/83/1034734783.db2.gz HDBRDEYLFORYJK-INIZCTEOSA-N 1 2 367.449 2.922 20 30 FFEDLO COCCCCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221427993 1034749647 /nfs/dbraw/zinc/74/96/47/1034749647.db2.gz SAVDJIZWKWOFQD-VQIMIIECSA-N 1 2 359.445 2.547 20 30 FFEDLO COCCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221427993 1034749658 /nfs/dbraw/zinc/74/96/58/1034749658.db2.gz SAVDJIZWKWOFQD-VQIMIIECSA-N 1 2 359.445 2.547 20 30 FFEDLO CC(C)(C)OCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221494963 1034821823 /nfs/dbraw/zinc/82/18/23/1034821823.db2.gz ONFOKEGSLODVDO-SJLPKXTDSA-N 1 2 359.445 2.545 20 30 FFEDLO CC(C)(C)OCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221494963 1034821837 /nfs/dbraw/zinc/82/18/37/1034821837.db2.gz ONFOKEGSLODVDO-SJLPKXTDSA-N 1 2 359.445 2.545 20 30 FFEDLO COC1(CC(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)CCC1 ZINC001221516342 1034834698 /nfs/dbraw/zinc/83/46/98/1034834698.db2.gz MAVDGUGMKPJMDX-IEBWSBKVSA-N 1 2 371.456 2.689 20 30 FFEDLO COC1(CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)CCC1 ZINC001221516342 1034834707 /nfs/dbraw/zinc/83/47/07/1034834707.db2.gz MAVDGUGMKPJMDX-IEBWSBKVSA-N 1 2 371.456 2.689 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](Cc3nc4ccccc4n3C)C[C@H]21 ZINC001221582005 1034895804 /nfs/dbraw/zinc/89/58/04/1034895804.db2.gz CHZLWRGUJLIJEF-VQIMIIECSA-N 1 2 352.482 2.962 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](Cc3nc4ccccc4n3C)C[C@H]21 ZINC001221582005 1034895814 /nfs/dbraw/zinc/89/58/14/1034895814.db2.gz CHZLWRGUJLIJEF-VQIMIIECSA-N 1 2 352.482 2.962 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCN(c4ccccc4)C3=O)C[C@H]21 ZINC001221584821 1034897475 /nfs/dbraw/zinc/89/74/75/1034897475.db2.gz DWYZHNCSNNCVKL-YZGWKJHDSA-N 1 2 367.493 2.681 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCN(c4ccccc4)C3=O)C[C@H]21 ZINC001221584821 1034897485 /nfs/dbraw/zinc/89/74/85/1034897485.db2.gz DWYZHNCSNNCVKL-YZGWKJHDSA-N 1 2 367.493 2.681 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)oc3C)C[C@H]21 ZINC001221718704 1035009445 /nfs/dbraw/zinc/00/94/45/1035009445.db2.gz YSWCLYHKYOFGRZ-YVWKXTFCSA-N 1 2 361.486 2.553 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)oc3C)C[C@H]21 ZINC001221718704 1035009451 /nfs/dbraw/zinc/00/94/51/1035009451.db2.gz YSWCLYHKYOFGRZ-YVWKXTFCSA-N 1 2 361.486 2.553 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)CCCCCC)[C@@H]2C1 ZINC001221731472 1035022885 /nfs/dbraw/zinc/02/28/85/1035022885.db2.gz GYUHYHFASBEREB-GUDVDZBRSA-N 1 2 363.546 2.818 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)CCCCCC)[C@@H]2C1 ZINC001221731472 1035022893 /nfs/dbraw/zinc/02/28/93/1035022893.db2.gz GYUHYHFASBEREB-GUDVDZBRSA-N 1 2 363.546 2.818 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(OC)ns3)C[C@H]21 ZINC001221737372 1035027350 /nfs/dbraw/zinc/02/73/50/1035027350.db2.gz ZNQILDHLAJZEOJ-NVXWUHKLSA-N 1 2 361.511 2.768 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(OC)ns3)C[C@H]21 ZINC001221737372 1035027356 /nfs/dbraw/zinc/02/73/56/1035027356.db2.gz ZNQILDHLAJZEOJ-NVXWUHKLSA-N 1 2 361.511 2.768 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCCCC3)C[C@H]21 ZINC001221783009 1035064864 /nfs/dbraw/zinc/06/48/64/1035064864.db2.gz UHYGWRSQRSCQQM-IEBWSBKVSA-N 1 2 361.530 2.714 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCCCC3)C[C@H]21 ZINC001221783009 1035064871 /nfs/dbraw/zinc/06/48/71/1035064871.db2.gz UHYGWRSQRSCQQM-IEBWSBKVSA-N 1 2 361.530 2.714 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221801380 1035081211 /nfs/dbraw/zinc/08/12/11/1035081211.db2.gz VRMQYPJUKUSITH-AQNXPRMDSA-N 1 2 355.482 2.652 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221801380 1035081216 /nfs/dbraw/zinc/08/12/16/1035081216.db2.gz VRMQYPJUKUSITH-AQNXPRMDSA-N 1 2 355.482 2.652 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2cccc(CN3CC(C#N)C3)c2)CC1 ZINC001139707662 1035202714 /nfs/dbraw/zinc/20/27/14/1035202714.db2.gz OEGTZJNGYOHLSX-UHFFFAOYSA-N 1 2 370.497 2.695 20 30 FFEDLO COC(=O)c1ccc(CN2CC[NH+](Cc3ccc(C)c(C#N)c3)CC2)cc1 ZINC001139726220 1035209873 /nfs/dbraw/zinc/20/98/73/1035209873.db2.gz AKZZRJOOFLJZFJ-UHFFFAOYSA-N 1 2 363.461 2.971 20 30 FFEDLO C=CCn1cc(C[NH+]2CCN(c3ncccc3C(F)(F)F)CC2)cn1 ZINC001139765816 1035224128 /nfs/dbraw/zinc/22/41/28/1035224128.db2.gz HFUWTDOLOJBEEN-UHFFFAOYSA-N 1 2 351.376 2.805 20 30 FFEDLO C=CCn1cc(C[NH+]2CCC(n3c4ccccc4n(C)c3=O)CC2)cn1 ZINC001139770623 1035227176 /nfs/dbraw/zinc/22/71/76/1035227176.db2.gz UOKKCMYZLUBEKQ-UHFFFAOYSA-N 1 2 351.454 2.560 20 30 FFEDLO N#CC1(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)CCOCC1 ZINC000834647335 1035423460 /nfs/dbraw/zinc/42/34/60/1035423460.db2.gz FZPBFGYZIIPBBG-UHFFFAOYSA-N 1 2 364.449 2.525 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2[nH]nc3cc(OC)ccc32)C1=O ZINC001277257605 1035841730 /nfs/dbraw/zinc/84/17/30/1035841730.db2.gz HJSGMYHQTVRLHQ-HXUWFJFHSA-N 1 2 354.454 2.715 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2[nH]nc3cc(OC)ccc32)C1=O ZINC001277257605 1035841748 /nfs/dbraw/zinc/84/17/48/1035841748.db2.gz HJSGMYHQTVRLHQ-HXUWFJFHSA-N 1 2 354.454 2.715 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)c1 ZINC001232676416 1035931044 /nfs/dbraw/zinc/93/10/44/1035931044.db2.gz JOSSKSQCXZBLEZ-UHFFFAOYSA-N 1 2 357.417 2.717 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCc3ncnc(-c4ccncc4)c3CC2)c1 ZINC001232676416 1035931059 /nfs/dbraw/zinc/93/10/59/1035931059.db2.gz JOSSKSQCXZBLEZ-UHFFFAOYSA-N 1 2 357.417 2.717 20 30 FFEDLO COc1cnc(OC2CC[NH+](Cc3cc(F)c(C#N)c(F)c3)CC2)nc1 ZINC001140755655 1036067754 /nfs/dbraw/zinc/06/77/54/1036067754.db2.gz OJMHBNWCEHWQHD-UHFFFAOYSA-N 1 2 360.364 2.678 20 30 FFEDLO CCOC(=O)c1nc2c(s1)CC[N@H+](Cc1cc(F)ccc1C#N)CC2 ZINC001232889762 1036132588 /nfs/dbraw/zinc/13/25/88/1036132588.db2.gz PCUGVZXGBVVKOA-UHFFFAOYSA-N 1 2 359.426 2.931 20 30 FFEDLO CCOC(=O)c1nc2c(s1)CC[N@@H+](Cc1cc(F)ccc1C#N)CC2 ZINC001232889762 1036132589 /nfs/dbraw/zinc/13/25/89/1036132589.db2.gz PCUGVZXGBVVKOA-UHFFFAOYSA-N 1 2 359.426 2.931 20 30 FFEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3ccc(C(F)(F)F)o3)C2)OCC1=O ZINC001277735680 1036162983 /nfs/dbraw/zinc/16/29/83/1036162983.db2.gz WFRJTLIWRKMYTG-MRXNPFEDSA-N 1 2 358.360 2.678 20 30 FFEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)o3)C2)OCC1=O ZINC001277735680 1036162988 /nfs/dbraw/zinc/16/29/88/1036162988.db2.gz WFRJTLIWRKMYTG-MRXNPFEDSA-N 1 2 358.360 2.678 20 30 FFEDLO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c(C#N)c1 ZINC001232966850 1036195059 /nfs/dbraw/zinc/19/50/59/1036195059.db2.gz WTGWBZYIEUPJIO-MSOLQXFVSA-N 1 2 352.463 2.812 20 30 FFEDLO Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c(C#N)c1 ZINC001232966850 1036195067 /nfs/dbraw/zinc/19/50/67/1036195067.db2.gz WTGWBZYIEUPJIO-MSOLQXFVSA-N 1 2 352.463 2.812 20 30 FFEDLO N#Cc1cccc(CN2CC[N@H+](Cc3ccccc3)[C@H](CO)C2)c1Cl ZINC001140807924 1036195384 /nfs/dbraw/zinc/19/53/84/1036195384.db2.gz HLRCFUQHIFYCRF-IBGZPJMESA-N 1 2 355.869 2.890 20 30 FFEDLO N#Cc1cccc(CN2CC[N@@H+](Cc3ccccc3)[C@H](CO)C2)c1Cl ZINC001140807924 1036195389 /nfs/dbraw/zinc/19/53/89/1036195389.db2.gz HLRCFUQHIFYCRF-IBGZPJMESA-N 1 2 355.869 2.890 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](Cc2cc(F)cnc2C)Cc2nnn(CC3CC3)c21 ZINC001232988816 1036223883 /nfs/dbraw/zinc/22/38/83/1036223883.db2.gz WKEUWLJFHMOFIO-QGZVFWFLSA-N 1 2 371.460 2.833 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](Cc2cc(F)cnc2C)Cc2nnn(CC3CC3)c21 ZINC001232988816 1036223897 /nfs/dbraw/zinc/22/38/97/1036223897.db2.gz WKEUWLJFHMOFIO-QGZVFWFLSA-N 1 2 371.460 2.833 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCCn2nnc(COc3cccnc3)c2C1 ZINC001233079551 1036325074 /nfs/dbraw/zinc/32/50/74/1036325074.db2.gz HFXAUNDZWIOVAN-UHFFFAOYSA-N 1 2 374.448 2.838 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@H+]1CCCn2nnc(COc3cccnc3)c2C1 ZINC001233079551 1036325093 /nfs/dbraw/zinc/32/50/93/1036325093.db2.gz HFXAUNDZWIOVAN-UHFFFAOYSA-N 1 2 374.448 2.838 20 30 FFEDLO Cc1cc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)n[nH]1 ZINC001203075816 1036399166 /nfs/dbraw/zinc/39/91/66/1036399166.db2.gz PPAYRHIJBGPNMT-OAQYLSRUSA-N 1 2 365.481 2.709 20 30 FFEDLO Cc1cc(C[N@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)n[nH]1 ZINC001203075816 1036399181 /nfs/dbraw/zinc/39/91/81/1036399181.db2.gz PPAYRHIJBGPNMT-OAQYLSRUSA-N 1 2 365.481 2.709 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cncc(Br)c2C)C1=O ZINC001277769257 1036404377 /nfs/dbraw/zinc/40/43/77/1036404377.db2.gz VEIYGUGFSGWKDD-KRWDZBQOSA-N 1 2 364.287 2.905 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cncc(Br)c2C)C1=O ZINC001277769257 1036404384 /nfs/dbraw/zinc/40/43/84/1036404384.db2.gz VEIYGUGFSGWKDD-KRWDZBQOSA-N 1 2 364.287 2.905 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3Cl)CC2)c(O)c1 ZINC001233386828 1036588293 /nfs/dbraw/zinc/58/82/93/1036588293.db2.gz KGIIGMQMASEPCX-UHFFFAOYSA-N 1 2 355.825 2.875 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cn3ccc(Cl)cc3n1)CC2 ZINC001233390059 1036592103 /nfs/dbraw/zinc/59/21/03/1036592103.db2.gz IOXNBHATESRBFL-UHFFFAOYSA-N 1 2 371.872 2.982 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cn3ccc(Cl)cc3n1)CC2 ZINC001233390059 1036592114 /nfs/dbraw/zinc/59/21/14/1036592114.db2.gz IOXNBHATESRBFL-UHFFFAOYSA-N 1 2 371.872 2.982 20 30 FFEDLO C#CCN1CCC2(CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)C1=O ZINC001277388692 1036684518 /nfs/dbraw/zinc/68/45/18/1036684518.db2.gz ZTZVDBDJWDSXSO-UHFFFAOYSA-N 1 2 350.821 2.632 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(CC(=O)c4ccc(O)cc4)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233942483 1036835137 /nfs/dbraw/zinc/83/51/37/1036835137.db2.gz YDCJAWREABZCAI-KMUFNYILSA-N 1 2 365.429 2.809 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(CC(=O)c4ccc(O)cc4)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233942483 1036835153 /nfs/dbraw/zinc/83/51/53/1036835153.db2.gz YDCJAWREABZCAI-KMUFNYILSA-N 1 2 365.429 2.809 20 30 FFEDLO C#C[C@H](Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N)C(=O)OCC ZINC001229768032 1036880309 /nfs/dbraw/zinc/88/03/09/1036880309.db2.gz IQEOKTMXRXGXLK-KRWDZBQOSA-N 1 2 360.373 2.520 20 30 FFEDLO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cccc4c3C(=O)C=C(C)C4=O)C[C@H]1[N@@H+]2C ZINC001229914262 1036975624 /nfs/dbraw/zinc/97/56/24/1036975624.db2.gz PEVVKMIMNFHDSY-QRCPMIHRSA-N 1 2 369.417 2.558 20 30 FFEDLO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cccc4c3C(=O)C=C(C)C4=O)C[C@H]1[N@H+]2C ZINC001229914262 1036975643 /nfs/dbraw/zinc/97/56/43/1036975643.db2.gz PEVVKMIMNFHDSY-QRCPMIHRSA-N 1 2 369.417 2.558 20 30 FFEDLO CC(C)c1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC3CC3)C2)c1 ZINC001206953199 1036977445 /nfs/dbraw/zinc/97/74/45/1036977445.db2.gz WLBPFPLYHRPVHM-OXQOHEQNSA-N 1 2 367.493 2.598 20 30 FFEDLO CC(C)c1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC3CC3)C2)c1 ZINC001206953199 1036977452 /nfs/dbraw/zinc/97/74/52/1036977452.db2.gz WLBPFPLYHRPVHM-OXQOHEQNSA-N 1 2 367.493 2.598 20 30 FFEDLO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4ncc(F)cc4F)C3)CC2=O)c1 ZINC001207098043 1037144186 /nfs/dbraw/zinc/14/41/86/1037144186.db2.gz DYMXWCDFNHXXDC-HXUWFJFHSA-N 1 2 368.387 2.860 20 30 FFEDLO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4ncc(F)cc4F)C3)CC2=O)c1 ZINC001207098043 1037144196 /nfs/dbraw/zinc/14/41/96/1037144196.db2.gz DYMXWCDFNHXXDC-HXUWFJFHSA-N 1 2 368.387 2.860 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(F)c(F)c2)C[C@H]1C ZINC001207215369 1037252846 /nfs/dbraw/zinc/25/28/46/1037252846.db2.gz GUCWKXYUFMCLGQ-CXAGYDPISA-N 1 2 365.424 2.696 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)c(F)c2)C[C@H]1C ZINC001207215369 1037252856 /nfs/dbraw/zinc/25/28/56/1037252856.db2.gz GUCWKXYUFMCLGQ-CXAGYDPISA-N 1 2 365.424 2.696 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cnc(Br)c(C)c1 ZINC001277475136 1037423193 /nfs/dbraw/zinc/42/31/93/1037423193.db2.gz VFXKJQCCNZQWOL-HUUCEWRRSA-N 1 2 364.287 2.904 20 30 FFEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnc(Br)c(C)c1 ZINC001277475136 1037423198 /nfs/dbraw/zinc/42/31/98/1037423198.db2.gz VFXKJQCCNZQWOL-HUUCEWRRSA-N 1 2 364.287 2.904 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccccc2CC#N)C[C@@H]1CCO ZINC001235526191 1037608129 /nfs/dbraw/zinc/60/81/29/1037608129.db2.gz WZWAWMPBJBDPQH-SFHVURJKSA-N 1 2 359.470 2.556 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccccc2CC#N)C[C@@H]1CCO ZINC001235526191 1037608135 /nfs/dbraw/zinc/60/81/35/1037608135.db2.gz WZWAWMPBJBDPQH-SFHVURJKSA-N 1 2 359.470 2.556 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC)Cc2nn(CC)cc21 ZINC001231619130 1037738915 /nfs/dbraw/zinc/73/89/15/1037738915.db2.gz QROWPTHJZJSSHE-QGZVFWFLSA-N 1 2 354.454 2.919 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)Cc2nn(CC)cc21 ZINC001231619130 1037738933 /nfs/dbraw/zinc/73/89/33/1037738933.db2.gz QROWPTHJZJSSHE-QGZVFWFLSA-N 1 2 354.454 2.919 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(F)c(F)c2)C[C@H]1C ZINC001208309673 1038204058 /nfs/dbraw/zinc/20/40/58/1038204058.db2.gz SBCLEERNGGCQNJ-MLGOLLRUSA-N 1 2 365.424 2.552 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)c(F)c2)C[C@H]1C ZINC001208309673 1038204066 /nfs/dbraw/zinc/20/40/66/1038204066.db2.gz SBCLEERNGGCQNJ-MLGOLLRUSA-N 1 2 365.424 2.552 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3occc3C)o2)C[C@H]1C ZINC001208318210 1038209001 /nfs/dbraw/zinc/20/90/01/1038209001.db2.gz OMUZQLVTCNMMCZ-ZIAGYGMSSA-N 1 2 358.442 2.787 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3occc3C)o2)C[C@H]1C ZINC001208318210 1038209014 /nfs/dbraw/zinc/20/90/14/1038209014.db2.gz OMUZQLVTCNMMCZ-ZIAGYGMSSA-N 1 2 358.442 2.787 20 30 FFEDLO CC(=O)[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C)cc1C#N)CC2 ZINC001278005260 1038235193 /nfs/dbraw/zinc/23/51/93/1038235193.db2.gz FEUWERITJNQUFN-HNAYVOBHSA-N 1 2 353.466 2.563 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)C(F)(F)F)C1 ZINC001208485908 1038353403 /nfs/dbraw/zinc/35/34/03/1038353403.db2.gz VYZJDTWFMJUJCX-WCABBAIRSA-N 1 2 357.214 2.920 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)C(F)(F)F)C1 ZINC001208485908 1038353412 /nfs/dbraw/zinc/35/34/12/1038353412.db2.gz VYZJDTWFMJUJCX-WCABBAIRSA-N 1 2 357.214 2.920 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](CC(C)(C)C(=O)CC)Cc2nnn(CC3CC3)c21 ZINC001208915840 1038588101 /nfs/dbraw/zinc/58/81/01/1038588101.db2.gz PLOMJMCZLOPMCE-MRXNPFEDSA-N 1 2 360.502 2.795 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](CC(C)(C)C(=O)CC)Cc2nnn(CC3CC3)c21 ZINC001208915840 1038588105 /nfs/dbraw/zinc/58/81/05/1038588105.db2.gz PLOMJMCZLOPMCE-MRXNPFEDSA-N 1 2 360.502 2.795 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]2OCC[N@H+](CCc3ccc(C#N)cc3)[C@H]2C1 ZINC001208925598 1038591600 /nfs/dbraw/zinc/59/16/00/1038591600.db2.gz JENXBMWMLAUBRH-OALUTQOASA-N 1 2 371.481 2.811 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]2OCC[N@@H+](CCc3ccc(C#N)cc3)[C@H]2C1 ZINC001208925598 1038591605 /nfs/dbraw/zinc/59/16/05/1038591605.db2.gz JENXBMWMLAUBRH-OALUTQOASA-N 1 2 371.481 2.811 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1c2ccccc2nn1C ZINC001209537856 1038972383 /nfs/dbraw/zinc/97/23/83/1038972383.db2.gz YBZQKVJDUYNQFN-LJQANCHMSA-N 1 2 351.454 2.609 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1c2ccccc2nn1C ZINC001209537856 1038972401 /nfs/dbraw/zinc/97/24/01/1038972401.db2.gz YBZQKVJDUYNQFN-LJQANCHMSA-N 1 2 351.454 2.609 20 30 FFEDLO N#Cc1ccc(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)cc1F ZINC001278415989 1039101666 /nfs/dbraw/zinc/10/16/66/1039101666.db2.gz WLRQJJJPXZFNLD-UHFFFAOYSA-N 1 2 355.335 2.940 20 30 FFEDLO N#Cc1ccc(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)cc1F ZINC001278415989 1039101676 /nfs/dbraw/zinc/10/16/76/1039101676.db2.gz WLRQJJJPXZFNLD-UHFFFAOYSA-N 1 2 355.335 2.940 20 30 FFEDLO C#Cc1ccc(C[NH+]2CC3(CCN3C(=O)Nc3c(C)noc3C)C2)cc1 ZINC001278436210 1039282201 /nfs/dbraw/zinc/28/22/01/1039282201.db2.gz AXMOOXKVRQLSEA-UHFFFAOYSA-N 1 2 350.422 2.765 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1Cc1cc(Br)ccc1OC(F)(F)F ZINC001210120647 1039392559 /nfs/dbraw/zinc/39/25/59/1039392559.db2.gz GRAQKOOHFFYYJD-NSHDSACASA-N 1 2 364.165 2.645 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1Cc1cc(Br)ccc1Br ZINC001210122646 1039393204 /nfs/dbraw/zinc/39/32/04/1039393204.db2.gz SIJIOBSMCOJSBT-LLVKDONJSA-N 1 2 359.065 2.509 20 30 FFEDLO C=C(C)CN1CC2(CCC1=O)CC[NH+](CC(=O)c1ccccc1O)CC2 ZINC001276683799 1039539271 /nfs/dbraw/zinc/53/92/71/1039539271.db2.gz QVTODIRPKFLGNC-UHFFFAOYSA-N 1 2 356.466 2.856 20 30 FFEDLO COC(=O)c1cccc([C@@H]2CNCC[N@@H+]2[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001247016081 1039580158 /nfs/dbraw/zinc/58/01/58/1039580158.db2.gz MANLNLZHOVQHFN-IERDGZPVSA-N 1 2 363.461 2.922 20 30 FFEDLO COC(=O)c1cccc([C@@H]2CNCC[N@H+]2[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001247016081 1039580169 /nfs/dbraw/zinc/58/01/69/1039580169.db2.gz MANLNLZHOVQHFN-IERDGZPVSA-N 1 2 363.461 2.922 20 30 FFEDLO Cc1nnc([C@@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)s1 ZINC001211232035 1040020097 /nfs/dbraw/zinc/02/00/97/1040020097.db2.gz FDJJNBVFPCAXNE-IIDMSEBBSA-N 1 2 368.506 2.786 20 30 FFEDLO Cc1nnc([C@@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)s1 ZINC001211232035 1040020113 /nfs/dbraw/zinc/02/01/13/1040020113.db2.gz FDJJNBVFPCAXNE-IIDMSEBBSA-N 1 2 368.506 2.786 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cc4n(n3)CCC4)C[C@H]2C)CCCCC1 ZINC001211410944 1040167373 /nfs/dbraw/zinc/16/73/73/1040167373.db2.gz PUPZZLJJPNTXEE-YLJYHZDGSA-N 1 2 368.525 2.740 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cc4n(n3)CCC4)C[C@H]2C)CCCCC1 ZINC001211410944 1040167380 /nfs/dbraw/zinc/16/73/80/1040167380.db2.gz PUPZZLJJPNTXEE-YLJYHZDGSA-N 1 2 368.525 2.740 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)on2)C[C@H]1C ZINC001211422457 1040182810 /nfs/dbraw/zinc/18/28/10/1040182810.db2.gz KLGNVYXOUPPKAS-VQIMIIECSA-N 1 2 369.465 2.871 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)on2)C[C@H]1C ZINC001211422457 1040182819 /nfs/dbraw/zinc/18/28/19/1040182819.db2.gz KLGNVYXOUPPKAS-VQIMIIECSA-N 1 2 369.465 2.871 20 30 FFEDLO C=CCS(=O)(=O)NCc1c[nH+]cn1Cc1ccc(C(F)(F)F)cc1 ZINC001259936253 1040305894 /nfs/dbraw/zinc/30/58/94/1040305894.db2.gz MMJYMSLCRSLSCN-UHFFFAOYSA-N 1 2 359.373 2.556 20 30 FFEDLO N#Cc1ccc2cc(C[NH+]3CCN(c4ccc(Cl)nn4)CC3)[nH]c2c1 ZINC001249430273 1040759595 /nfs/dbraw/zinc/75/95/95/1040759595.db2.gz KVDHFKQHWQQFNM-UHFFFAOYSA-N 1 2 352.829 2.805 20 30 FFEDLO C=C[C@H](COC)NC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001537964634 1070303906 /nfs/dbraw/zinc/30/39/06/1070303906.db2.gz HARVQOVOAAHSAG-HZPDHXFCSA-N 1 2 367.287 2.903 20 30 FFEDLO CC(C)C(=O)N1CCC[C@]2(C1)C[N@H+](Cc1cccc(C#N)c1F)CCO2 ZINC001249679202 1040937711 /nfs/dbraw/zinc/93/77/11/1040937711.db2.gz QAXDBDAKWAWIHS-HXUWFJFHSA-N 1 2 359.445 2.547 20 30 FFEDLO CC(C)C(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1cccc(C#N)c1F)CCO2 ZINC001249679202 1040937732 /nfs/dbraw/zinc/93/77/32/1040937732.db2.gz QAXDBDAKWAWIHS-HXUWFJFHSA-N 1 2 359.445 2.547 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1OC)c1ccccc1 ZINC001213897817 1041042142 /nfs/dbraw/zinc/04/21/42/1041042142.db2.gz LGGYNQPFDAKBIJ-PWIZWCRZSA-N 1 2 369.465 2.658 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1OC)c1ccccc1 ZINC001213897817 1041042161 /nfs/dbraw/zinc/04/21/61/1041042161.db2.gz LGGYNQPFDAKBIJ-PWIZWCRZSA-N 1 2 369.465 2.658 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3conc3C)C[C@H]2OC)CCCCC1 ZINC001213903005 1041052048 /nfs/dbraw/zinc/05/20/48/1041052048.db2.gz AUIQJFNUTYTJAX-QZTJIDSGSA-N 1 2 361.486 2.825 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3conc3C)C[C@H]2OC)CCCCC1 ZINC001213903005 1041052064 /nfs/dbraw/zinc/05/20/64/1041052064.db2.gz AUIQJFNUTYTJAX-QZTJIDSGSA-N 1 2 361.486 2.825 20 30 FFEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C(=O)OCC ZINC001254971278 1041076580 /nfs/dbraw/zinc/07/65/80/1041076580.db2.gz YRTZZPDITDCJDG-HZMTTXTESA-N 1 2 364.486 2.872 20 30 FFEDLO O=C(C=CNC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccccc1)C(F)(F)F ZINC001254995493 1041088588 /nfs/dbraw/zinc/08/85/88/1041088588.db2.gz MGAXNYPRCBJZSW-XGJYMRIXSA-N 1 2 354.372 2.653 20 30 FFEDLO O=C(C=CNC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccccc1)C(F)(F)F ZINC001254995493 1041088607 /nfs/dbraw/zinc/08/86/07/1041088607.db2.gz MGAXNYPRCBJZSW-XGJYMRIXSA-N 1 2 354.372 2.653 20 30 FFEDLO C=CC[C@@](C)([NH2+]C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1)C(=O)OC ZINC001255000186 1041093968 /nfs/dbraw/zinc/09/39/68/1041093968.db2.gz UZHCHLARWCTNFH-SMLSOGCJSA-N 1 2 358.482 2.516 20 30 FFEDLO O=C1C=C2C[N@H+](C3C[C@@H]4COC[C@H](C3)N4Cc3ccccc3)CC[C@H]2S1 ZINC001255005879 1041099932 /nfs/dbraw/zinc/09/99/32/1041099932.db2.gz WYZPKKHAERDVLK-RAFMOHDBSA-N 1 2 370.518 2.693 20 30 FFEDLO O=C1C=C2C[N@@H+](C3C[C@@H]4COC[C@H](C3)N4Cc3ccccc3)CC[C@H]2S1 ZINC001255005879 1041099950 /nfs/dbraw/zinc/09/99/50/1041099950.db2.gz WYZPKKHAERDVLK-RAFMOHDBSA-N 1 2 370.518 2.693 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)C[C@H]1OC ZINC001213961901 1041120559 /nfs/dbraw/zinc/12/05/59/1041120559.db2.gz VYIWXIMNCSJIIO-BMGDILEWSA-N 1 2 366.889 2.555 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)C[C@H]1OC ZINC001213961901 1041120565 /nfs/dbraw/zinc/12/05/65/1041120565.db2.gz VYIWXIMNCSJIIO-BMGDILEWSA-N 1 2 366.889 2.555 20 30 FFEDLO CCOc1ccccc1C[NH+]1CC2(CCN2Cc2cc(C#N)n(C)c2)C1 ZINC001278554563 1041132152 /nfs/dbraw/zinc/13/21/52/1041132152.db2.gz PZOUZEZTOXIYSC-UHFFFAOYSA-N 1 2 350.466 2.756 20 30 FFEDLO C=CCN(Cc1[nH]c2cc(F)c(N3CCOCC3)cc2[nH+]1)C(=O)OCC ZINC001250591234 1041260497 /nfs/dbraw/zinc/26/04/97/1041260497.db2.gz GGQBRHNAXVEBMN-UHFFFAOYSA-N 1 2 362.405 2.683 20 30 FFEDLO N#C[C@]1(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)CCCOC1 ZINC001261848415 1041445556 /nfs/dbraw/zinc/44/55/56/1041445556.db2.gz ZRCRMBLCWISTCF-HXUWFJFHSA-N 1 2 367.453 2.808 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc([C@@H](C)OCC)no2)C1 ZINC001214730195 1041553598 /nfs/dbraw/zinc/55/35/98/1041553598.db2.gz VNVLWOQVOBGFHB-RBSFLKMASA-N 1 2 364.490 2.706 20 30 FFEDLO Cc1nsc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1C#N ZINC001538166037 1070357367 /nfs/dbraw/zinc/35/73/67/1070357367.db2.gz CQDLUTBTWYKNDP-UHFFFAOYSA-N 1 2 354.351 2.669 20 30 FFEDLO C=CCn1cnn(C[N@H+]2CC[C@H](CCNC(=O)OC(C)(C)C)C2)c1=S ZINC001262482879 1041699980 /nfs/dbraw/zinc/69/99/80/1041699980.db2.gz OUHTTXBPPLEPSD-AWEZNQCLSA-N 1 2 367.519 2.794 20 30 FFEDLO C=CCn1cnn(C[N@@H+]2CC[C@H](CCNC(=O)OC(C)(C)C)C2)c1=S ZINC001262482879 1041699984 /nfs/dbraw/zinc/69/99/84/1041699984.db2.gz OUHTTXBPPLEPSD-AWEZNQCLSA-N 1 2 367.519 2.794 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(CC(C)C)no3)C2)CCC1 ZINC001215478332 1041798778 /nfs/dbraw/zinc/79/87/78/1041798778.db2.gz PHNXAJMDPBDRAY-HZPDHXFCSA-N 1 2 360.502 2.951 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](Cc3ccccc3)CCO2)nnc1N1CC[C@@H](C)C1 ZINC001262953991 1041986309 /nfs/dbraw/zinc/98/63/09/1041986309.db2.gz JCCNFLMCWQBYSF-IEBWSBKVSA-N 1 2 367.497 2.884 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](Cc3ccccc3)CCO2)nnc1N1CC[C@@H](C)C1 ZINC001262953991 1041986312 /nfs/dbraw/zinc/98/63/12/1041986312.db2.gz JCCNFLMCWQBYSF-IEBWSBKVSA-N 1 2 367.497 2.884 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(SC)CC1 ZINC001262977897 1042004507 /nfs/dbraw/zinc/00/45/07/1042004507.db2.gz QWJSTSWWXGTHAL-UHFFFAOYSA-N 1 2 374.558 2.889 20 30 FFEDLO C=CCn1c(N(C)Cc2c(C)cccc2C)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001262988339 1042012684 /nfs/dbraw/zinc/01/26/84/1042012684.db2.gz PZKLBNDXPXTTJG-UTKZUKDTSA-N 1 2 369.513 2.629 20 30 FFEDLO C=CCn1c(N(C)Cc2c(C)cccc2C)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001262988339 1042012690 /nfs/dbraw/zinc/01/26/90/1042012690.db2.gz PZKLBNDXPXTTJG-UTKZUKDTSA-N 1 2 369.513 2.629 20 30 FFEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cn3cccc(Cl)c3n1)CC2 ZINC001276748361 1042139574 /nfs/dbraw/zinc/13/95/74/1042139574.db2.gz HUSYDMATRHBINS-OAHLLOKOSA-N 1 2 358.873 2.892 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](CC)CC[C@@H]2C)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001263285273 1042220517 /nfs/dbraw/zinc/22/05/17/1042220517.db2.gz BYRCFCHROXJEDB-TVKQPGBESA-N 1 2 361.534 2.781 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](CC)CC[C@@H]2C)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001263285273 1042220519 /nfs/dbraw/zinc/22/05/19/1042220519.db2.gz BYRCFCHROXJEDB-TVKQPGBESA-N 1 2 361.534 2.781 20 30 FFEDLO C=C(C)Cn1c(N(C)[C@H](C)c2ccco2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001263285771 1042221250 /nfs/dbraw/zinc/22/12/50/1042221250.db2.gz NZYNGNYQSGPMEH-CLCXKQKWSA-N 1 2 359.474 2.556 20 30 FFEDLO C=C(C)Cn1c(N(C)[C@H](C)c2ccco2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001263285771 1042221253 /nfs/dbraw/zinc/22/12/53/1042221253.db2.gz NZYNGNYQSGPMEH-CLCXKQKWSA-N 1 2 359.474 2.556 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1c1ccccc1 ZINC001263883840 1042506927 /nfs/dbraw/zinc/50/69/27/1042506927.db2.gz XBDAOUCFDPDFBI-VQTJNVASSA-N 1 2 364.493 2.698 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1c1ccccc1 ZINC001263883840 1042506928 /nfs/dbraw/zinc/50/69/28/1042506928.db2.gz XBDAOUCFDPDFBI-VQTJNVASSA-N 1 2 364.493 2.698 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2nccs2)C[C@H]1c1ccccc1 ZINC001263884235 1042507024 /nfs/dbraw/zinc/50/70/24/1042507024.db2.gz GSFFRYIZFVXNPY-ZWKOTPCHSA-N 1 2 353.491 2.887 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]1c1ccccc1 ZINC001263884235 1042507027 /nfs/dbraw/zinc/50/70/27/1042507027.db2.gz GSFFRYIZFVXNPY-ZWKOTPCHSA-N 1 2 353.491 2.887 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H]2C[N@H+](Cc3nn(C)cc3Cl)CC[C@@H]2C1 ZINC001264096950 1042623104 /nfs/dbraw/zinc/62/31/04/1042623104.db2.gz XWNUXIWQAQNMGL-CABCVRRESA-N 1 2 350.894 2.710 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nn(C)cc3Cl)CC[C@@H]2C1 ZINC001264096950 1042623106 /nfs/dbraw/zinc/62/31/06/1042623106.db2.gz XWNUXIWQAQNMGL-CABCVRRESA-N 1 2 350.894 2.710 20 30 FFEDLO Cc1csc(C[N@H+]2CC[C@H](NC(=O)CC#Cc3ccccc3)[C@H]2C)n1 ZINC001264175200 1042653404 /nfs/dbraw/zinc/65/34/04/1042653404.db2.gz BGVWQZFCUPUJSA-AEFFLSMTSA-N 1 2 353.491 2.972 20 30 FFEDLO Cc1csc(C[N@@H+]2CC[C@H](NC(=O)CC#Cc3ccccc3)[C@H]2C)n1 ZINC001264175200 1042653407 /nfs/dbraw/zinc/65/34/07/1042653407.db2.gz BGVWQZFCUPUJSA-AEFFLSMTSA-N 1 2 353.491 2.972 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001264596126 1042732536 /nfs/dbraw/zinc/73/25/36/1042732536.db2.gz IXQZGWIJWSWIFD-QZTJIDSGSA-N 1 2 358.457 2.738 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001264596126 1042732541 /nfs/dbraw/zinc/73/25/41/1042732541.db2.gz IXQZGWIJWSWIFD-QZTJIDSGSA-N 1 2 358.457 2.738 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2noc3c2COCC3)[C@@H]1CC ZINC001264620193 1042751930 /nfs/dbraw/zinc/75/19/30/1042751930.db2.gz XRKWNIAOLKMWGE-DOTOQJQBSA-N 1 2 361.486 2.819 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2noc3c2COCC3)[C@@H]1CC ZINC001264620193 1042751934 /nfs/dbraw/zinc/75/19/34/1042751934.db2.gz XRKWNIAOLKMWGE-DOTOQJQBSA-N 1 2 361.486 2.819 20 30 FFEDLO CCc1noc(C[N@H+]2CC[C@H](NC(=O)CC#Cc3ccccc3)[C@H]2CC)n1 ZINC001264625867 1042757053 /nfs/dbraw/zinc/75/70/53/1042757053.db2.gz MULRJZCBTFXQAG-ZWKOTPCHSA-N 1 2 366.465 2.543 20 30 FFEDLO CCc1noc(C[N@@H+]2CC[C@H](NC(=O)CC#Cc3ccccc3)[C@H]2CC)n1 ZINC001264625867 1042757056 /nfs/dbraw/zinc/75/70/56/1042757056.db2.gz MULRJZCBTFXQAG-ZWKOTPCHSA-N 1 2 366.465 2.543 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)CC[C@@H]2C1 ZINC001264646008 1042766110 /nfs/dbraw/zinc/76/61/10/1042766110.db2.gz YWUDYYYDXUEDFO-MSOLQXFVSA-N 1 2 369.513 2.731 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)CC[C@@H]2C1 ZINC001264646008 1042766112 /nfs/dbraw/zinc/76/61/12/1042766112.db2.gz YWUDYYYDXUEDFO-MSOLQXFVSA-N 1 2 369.513 2.731 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)CSCC#N)CC[N@@H+]1Cc1cccc(Cl)c1F ZINC001264688536 1042779262 /nfs/dbraw/zinc/77/92/62/1042779262.db2.gz OLHPLPOPFCDMGM-RISCZKNCSA-N 1 2 355.866 2.815 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)CSCC#N)CC[N@H+]1Cc1cccc(Cl)c1F ZINC001264688536 1042779267 /nfs/dbraw/zinc/77/92/67/1042779267.db2.gz OLHPLPOPFCDMGM-RISCZKNCSA-N 1 2 355.866 2.815 20 30 FFEDLO COc1cccc(Cl)c1CN1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001279309265 1042994464 /nfs/dbraw/zinc/99/44/64/1042994464.db2.gz VICJNYIDLVVKOL-UHFFFAOYSA-N 1 2 370.884 2.877 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2c(Cl)c3ccccc3[nH]c2=O)CC1 ZINC001237505417 1043210954 /nfs/dbraw/zinc/21/09/54/1043210954.db2.gz KAZUGZAKMYFTCW-UHFFFAOYSA-N 1 2 359.813 2.873 20 30 FFEDLO COC(C[N@H+](Cc1cn2cc(C#N)ccc2n1)Cc1ccccc1)OC ZINC001237609784 1043268052 /nfs/dbraw/zinc/26/80/52/1043268052.db2.gz XEMZCNFQLXPPJA-UHFFFAOYSA-N 1 2 350.422 2.827 20 30 FFEDLO COC(C[N@@H+](Cc1cn2cc(C#N)ccc2n1)Cc1ccccc1)OC ZINC001237609784 1043268056 /nfs/dbraw/zinc/26/80/56/1043268056.db2.gz XEMZCNFQLXPPJA-UHFFFAOYSA-N 1 2 350.422 2.827 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccc(Cl)cn2)C3)cc1C#N ZINC001279630699 1043371011 /nfs/dbraw/zinc/37/10/11/1043371011.db2.gz CPPRVQBEBUECTN-BEFAXECRSA-N 1 2 355.873 2.651 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccc(Cl)cn2)C3)cc1C#N ZINC001279630699 1043371018 /nfs/dbraw/zinc/37/10/18/1043371018.db2.gz CPPRVQBEBUECTN-BEFAXECRSA-N 1 2 355.873 2.651 20 30 FFEDLO N#Cc1ccc(CN2CC([NH+]3CCN(c4ccccn4)CC3)C2)c(Cl)c1 ZINC001238086477 1043524957 /nfs/dbraw/zinc/52/49/57/1043524957.db2.gz GXMGVOIKDULABD-UHFFFAOYSA-N 1 2 367.884 2.613 20 30 FFEDLO Cc1cc(C)cc(N2C[C@@H]3OCC[N@@H+](Cc4cc(C#N)n(C)c4)[C@H]3C2)c1 ZINC001279729020 1043543559 /nfs/dbraw/zinc/54/35/59/1043543559.db2.gz GUCZKGQXDVKBHR-SFTDATJTSA-N 1 2 350.466 2.603 20 30 FFEDLO Cc1cc(C)cc(N2C[C@@H]3OCC[N@H+](Cc4cc(C#N)n(C)c4)[C@H]3C2)c1 ZINC001279729020 1043543567 /nfs/dbraw/zinc/54/35/67/1043543567.db2.gz GUCZKGQXDVKBHR-SFTDATJTSA-N 1 2 350.466 2.603 20 30 FFEDLO CCCCCCCC[N@@H+]1Cc2ccnn2CC[C@H]1C(=O)NCC1COC1 ZINC001279868252 1043802900 /nfs/dbraw/zinc/80/29/00/1043802900.db2.gz LPRGFIBTKSXJQV-IBGZPJMESA-N 1 2 362.518 2.581 20 30 FFEDLO CCCCCCCC[N@H+]1Cc2ccnn2CC[C@H]1C(=O)NCC1COC1 ZINC001279868252 1043802917 /nfs/dbraw/zinc/80/29/17/1043802917.db2.gz LPRGFIBTKSXJQV-IBGZPJMESA-N 1 2 362.518 2.581 20 30 FFEDLO CCc1cc(CN2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)ccc1C#N ZINC001238773818 1043888101 /nfs/dbraw/zinc/88/81/01/1043888101.db2.gz DNHVMVPEDYCLFD-UHFFFAOYSA-N 1 2 366.513 2.958 20 30 FFEDLO CCc1cc(CN2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)ccc1C#N ZINC001238773818 1043888121 /nfs/dbraw/zinc/88/81/21/1043888121.db2.gz DNHVMVPEDYCLFD-UHFFFAOYSA-N 1 2 366.513 2.958 20 30 FFEDLO CCCCCCCNC(=S)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001279956961 1043982453 /nfs/dbraw/zinc/98/24/53/1043982453.db2.gz FUHVZRLSRSSOJE-UHFFFAOYSA-N 1 2 373.570 2.859 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(CC2CC2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001539023135 1070543694 /nfs/dbraw/zinc/54/36/94/1070543694.db2.gz MNAPDQHQPUYNMZ-MRXNPFEDSA-N 1 2 366.513 2.978 20 30 FFEDLO CCc1cc(C[N@H+]2C[C@H]3CN(Cc4ccc[nH]4)C[C@@H](C2)O3)ccc1C#N ZINC001280214426 1044407662 /nfs/dbraw/zinc/40/76/62/1044407662.db2.gz FEOLFQXMSXXQOM-OYRHEFFESA-N 1 2 350.466 2.534 20 30 FFEDLO CCc1cc(C[N@@H+]2C[C@H]3CN(Cc4ccc[nH]4)C[C@@H](C2)O3)ccc1C#N ZINC001280214426 1044407666 /nfs/dbraw/zinc/40/76/66/1044407666.db2.gz FEOLFQXMSXXQOM-OYRHEFFESA-N 1 2 350.466 2.534 20 30 FFEDLO N#CCC1CN(C(=O)[C@]23C[C@H]2CC[N@H+]3Cc2cnc3[nH]ccc3c2Cl)C1 ZINC001280214813 1044407787 /nfs/dbraw/zinc/40/77/87/1044407787.db2.gz JKCWLBYABKGIKT-KUHUBIRLSA-N 1 2 369.856 2.504 20 30 FFEDLO N#CCC1CN(C(=O)[C@]23C[C@H]2CC[N@@H+]3Cc2cnc3[nH]ccc3c2Cl)C1 ZINC001280214813 1044407793 /nfs/dbraw/zinc/40/77/93/1044407793.db2.gz JKCWLBYABKGIKT-KUHUBIRLSA-N 1 2 369.856 2.504 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CC3(CC[N@@H+]3C3CCCC3)C2)c(Cl)c1 ZINC001280220569 1044413383 /nfs/dbraw/zinc/41/33/83/1044413383.db2.gz FPIHAFIXGJNPNL-UHFFFAOYSA-N 1 2 365.886 2.603 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CC3(CC[N@H+]3C3CCCC3)C2)c(Cl)c1 ZINC001280220569 1044413386 /nfs/dbraw/zinc/41/33/86/1044413386.db2.gz FPIHAFIXGJNPNL-UHFFFAOYSA-N 1 2 365.886 2.603 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3ccc4[nH]c(C#N)cc4c3)cn2)CC1 ZINC001241560854 1044548630 /nfs/dbraw/zinc/54/86/30/1044548630.db2.gz QWJOCLXCBVXGTM-UHFFFAOYSA-N 1 2 360.465 2.761 20 30 FFEDLO COc1c(Cl)cccc1C[N@@H+]1CC[C@@H]2C[C@@]21C(=O)N1CC(CC#N)C1 ZINC001280298565 1044565221 /nfs/dbraw/zinc/56/52/21/1044565221.db2.gz YODVCGJLKICSCA-BEFAXECRSA-N 1 2 359.857 2.685 20 30 FFEDLO COc1c(Cl)cccc1C[N@H+]1CC[C@@H]2C[C@@]21C(=O)N1CC(CC#N)C1 ZINC001280298565 1044565225 /nfs/dbraw/zinc/56/52/25/1044565225.db2.gz YODVCGJLKICSCA-BEFAXECRSA-N 1 2 359.857 2.685 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC(=O)Nc3ccc(O)cc3)[C@@H]2C)CCC1 ZINC001316791467 1044988102 /nfs/dbraw/zinc/98/81/02/1044988102.db2.gz OEJRPUXXIZWATN-QAPCUYQASA-N 1 2 371.481 2.656 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)Nc3ccc(O)cc3)[C@@H]2C)CCC1 ZINC001316791467 1044988117 /nfs/dbraw/zinc/98/81/17/1044988117.db2.gz OEJRPUXXIZWATN-QAPCUYQASA-N 1 2 371.481 2.656 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@](C)(CO)C1 ZINC001319640323 1045225507 /nfs/dbraw/zinc/22/55/07/1045225507.db2.gz NGPFTKIUAUOFHY-BEFAXECRSA-N 1 2 361.511 2.971 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@](C)(CO)C1 ZINC001319640323 1045225516 /nfs/dbraw/zinc/22/55/16/1045225516.db2.gz NGPFTKIUAUOFHY-BEFAXECRSA-N 1 2 361.511 2.971 20 30 FFEDLO C#CCOCC[N@@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC001319654969 1045228725 /nfs/dbraw/zinc/22/87/25/1045228725.db2.gz BJBSZBNTBIAGHN-UHFFFAOYSA-N 1 2 356.245 2.642 20 30 FFEDLO C#CCOCC[N@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC001319654969 1045228732 /nfs/dbraw/zinc/22/87/32/1045228732.db2.gz BJBSZBNTBIAGHN-UHFFFAOYSA-N 1 2 356.245 2.642 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CCC2(OC)CCC2)CC1 ZINC001539430546 1070636513 /nfs/dbraw/zinc/63/65/13/1070636513.db2.gz JMPAJZWWTMBYSX-QGZVFWFLSA-N 1 2 359.518 2.506 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2Cc2ccc(Cl)s2)CC1 ZINC001539446413 1070639707 /nfs/dbraw/zinc/63/97/07/1070639707.db2.gz YDWVXBRDNJJLHM-UHFFFAOYSA-N 1 2 361.902 2.674 20 30 FFEDLO N#CCc1ccc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)cc1 ZINC001320263978 1045378148 /nfs/dbraw/zinc/37/81/48/1045378148.db2.gz RTURJCKBSDPQLM-UHFFFAOYSA-N 1 2 355.341 2.905 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC001282365822 1045544825 /nfs/dbraw/zinc/54/48/25/1045544825.db2.gz HYWPLYFLJZTULE-SJORKVTESA-N 1 2 366.465 2.637 20 30 FFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC001322072125 1045943353 /nfs/dbraw/zinc/94/33/53/1045943353.db2.gz CCBVSYRXPKYJTI-OAHLLOKOSA-N 1 2 366.440 2.944 20 30 FFEDLO C=CCC1(C(=O)N[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)CCCC1 ZINC001283948782 1046457627 /nfs/dbraw/zinc/45/76/27/1046457627.db2.gz JOORCNZRYGJCNA-BRWVUGGUSA-N 1 2 370.497 2.661 20 30 FFEDLO C=CCC1(C(=O)N[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)CCCC1 ZINC001283948782 1046457634 /nfs/dbraw/zinc/45/76/34/1046457634.db2.gz JOORCNZRYGJCNA-BRWVUGGUSA-N 1 2 370.497 2.661 20 30 FFEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC001325658632 1046597076 /nfs/dbraw/zinc/59/70/76/1046597076.db2.gz GNWXKGGPWVJNCV-UHFFFAOYSA-N 1 2 351.450 2.920 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CC(C)(C)c2ccccn2)CC1 ZINC001286470441 1047119664 /nfs/dbraw/zinc/11/96/64/1047119664.db2.gz YSKNOLLPRIQBSB-UHFFFAOYSA-N 1 2 366.513 2.530 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2CCc2cc3ccccc3o2)CC1 ZINC001286478842 1047121471 /nfs/dbraw/zinc/12/14/71/1047121471.db2.gz LSZWUNMWOGPCMV-UHFFFAOYSA-N 1 2 363.465 2.585 20 30 FFEDLO Cn1c(C#N)ccc1C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001288600200 1047484436 /nfs/dbraw/zinc/48/44/36/1047484436.db2.gz ITDJRJDEBVWAKB-UHFFFAOYSA-N 1 2 359.433 2.728 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001289897338 1047782092 /nfs/dbraw/zinc/78/20/92/1047782092.db2.gz QMSORAJWSLTRAE-KZNAEPCWSA-N 1 2 358.486 2.571 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCC(C)(C)O2)CC1 ZINC001331484198 1047964040 /nfs/dbraw/zinc/96/40/40/1047964040.db2.gz JEXMUFBAWLHZAA-SFHVURJKSA-N 1 2 371.529 2.649 20 30 FFEDLO O=C(/C=C\c1ccc(F)cc1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC001540749930 1070985270 /nfs/dbraw/zinc/98/52/70/1070985270.db2.gz RTSWBJSTTPWZLW-YFHOEESVSA-N 1 2 352.409 2.583 20 30 FFEDLO O=C(/C=C\c1ccc(F)cc1)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC001540749930 1070985287 /nfs/dbraw/zinc/98/52/87/1070985287.db2.gz RTSWBJSTTPWZLW-YFHOEESVSA-N 1 2 352.409 2.583 20 30 FFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(F)(F)c2ccccc2C#N)C1 ZINC001333113013 1048718646 /nfs/dbraw/zinc/71/86/46/1048718646.db2.gz ZKWAOQWYAOBSTC-CQSZACIVSA-N 1 2 358.392 2.865 20 30 FFEDLO C=CCO[C@H]1CCN(c2nnc(C)n2Cc2ccc(N(CC)CC)[nH+]c2)C1 ZINC001540884901 1071028269 /nfs/dbraw/zinc/02/82/69/1071028269.db2.gz XLIRIWITPSSGGD-SFHVURJKSA-N 1 2 370.501 2.657 20 30 FFEDLO C=CCCCC(=O)N(CCC)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001296780696 1050094101 /nfs/dbraw/zinc/09/41/01/1050094101.db2.gz KSETVEZHGAZYTJ-GVDBMIGSSA-N 1 2 358.486 2.709 20 30 FFEDLO C=CCCCC(=O)N(CCC)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001296780696 1050094105 /nfs/dbraw/zinc/09/41/05/1050094105.db2.gz KSETVEZHGAZYTJ-GVDBMIGSSA-N 1 2 358.486 2.709 20 30 FFEDLO Cc1ccc(-c2nnc(N3CCc4cc[nH+]c(N(C)C)c4C3)n2C)cc1C#N ZINC001339800506 1050220721 /nfs/dbraw/zinc/22/07/21/1050220721.db2.gz BRJBXBMRFURBIT-UHFFFAOYSA-N 1 2 373.464 2.686 20 30 FFEDLO N#CCOc1cccc(CNC(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC001339837371 1050257156 /nfs/dbraw/zinc/25/71/56/1050257156.db2.gz YMJRRKLWIVMELA-UHFFFAOYSA-N 1 2 365.437 2.770 20 30 FFEDLO CCC[C@@H]1CCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CCOC ZINC001341670474 1050292957 /nfs/dbraw/zinc/29/29/57/1050292957.db2.gz DYPPXCCMDQXRSG-GOSISDBHSA-N 1 2 374.533 2.786 20 30 FFEDLO CCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC001341841552 1050452317 /nfs/dbraw/zinc/45/23/17/1050452317.db2.gz KXCVSCMCBCTSFG-QGZVFWFLSA-N 1 2 350.422 2.672 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCCC2(CC2)C1 ZINC001340195281 1050602546 /nfs/dbraw/zinc/60/25/46/1050602546.db2.gz KLPAICJTURJOSP-DLBZAZTESA-N 1 2 357.502 2.770 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCCC2(CC2)C1 ZINC001340195281 1050602549 /nfs/dbraw/zinc/60/25/49/1050602549.db2.gz KLPAICJTURJOSP-DLBZAZTESA-N 1 2 357.502 2.770 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001340205196 1050614159 /nfs/dbraw/zinc/61/41/59/1050614159.db2.gz KYJHIJOYLXZHEB-AEFFLSMTSA-N 1 2 371.485 2.833 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001340205196 1050614167 /nfs/dbraw/zinc/61/41/67/1050614167.db2.gz KYJHIJOYLXZHEB-AEFFLSMTSA-N 1 2 371.485 2.833 20 30 FFEDLO C=CCn1c(N2CC[NH+](Cc3cccc(F)c3)CC2)nnc1[C@@](C)(O)CC ZINC001342212200 1050804508 /nfs/dbraw/zinc/80/45/08/1050804508.db2.gz RRPLLEAFDCMMGI-FQEVSTJZSA-N 1 2 373.476 2.543 20 30 FFEDLO C=C(C)CN(CC)c1nnc([C@H]2C[C@H](O)C[N@@H+]2C)n1CCc1ccccc1 ZINC001342402569 1050997373 /nfs/dbraw/zinc/99/73/73/1050997373.db2.gz ZFRJRSLURIGRSM-RBUKOAKNSA-N 1 2 369.513 2.661 20 30 FFEDLO C=C(C)CN(CC)c1nnc([C@H]2C[C@H](O)C[N@H+]2C)n1CCc1ccccc1 ZINC001342402569 1050997388 /nfs/dbraw/zinc/99/73/88/1050997388.db2.gz ZFRJRSLURIGRSM-RBUKOAKNSA-N 1 2 369.513 2.661 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC001342459629 1051057120 /nfs/dbraw/zinc/05/71/20/1051057120.db2.gz KZNZPSRLQJYINY-SQNIBIBYSA-N 1 2 374.533 2.990 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC001342459629 1051057133 /nfs/dbraw/zinc/05/71/33/1051057133.db2.gz KZNZPSRLQJYINY-SQNIBIBYSA-N 1 2 374.533 2.990 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C(C)(C)C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001342523079 1051125907 /nfs/dbraw/zinc/12/59/07/1051125907.db2.gz PDWAUQZHIHPTGF-RZQQEMMASA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C(C)(C)C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001342523079 1051125914 /nfs/dbraw/zinc/12/59/14/1051125914.db2.gz PDWAUQZHIHPTGF-RZQQEMMASA-N 1 2 361.534 2.638 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC([C@@H]3c4ccccc4NC3=O)CC2)cc1 ZINC001340785151 1051132451 /nfs/dbraw/zinc/13/24/51/1051132451.db2.gz FFZRAAQTAMMKNJ-UXHICEINSA-N 1 2 374.444 2.533 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC(CSC)CC1 ZINC001342540890 1051143019 /nfs/dbraw/zinc/14/30/19/1051143019.db2.gz BYXZAHWDYHUPOM-UHFFFAOYSA-N 1 2 360.531 2.758 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(F)(F)CC1 ZINC001341035368 1051372569 /nfs/dbraw/zinc/37/25/69/1051372569.db2.gz JZSITNIXOUBWHO-UHFFFAOYSA-N 1 2 352.433 2.627 20 30 FFEDLO COCCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(CCC#N)CCC(C)C ZINC001342758092 1051373227 /nfs/dbraw/zinc/37/32/27/1051373227.db2.gz VHUUFTFMRNBMBX-KRWDZBQOSA-N 1 2 362.522 2.847 20 30 FFEDLO COCCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(CCC#N)CCC(C)C ZINC001342758092 1051373232 /nfs/dbraw/zinc/37/32/32/1051373232.db2.gz VHUUFTFMRNBMBX-KRWDZBQOSA-N 1 2 362.522 2.847 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)Cc1ccccc1 ZINC001342797525 1051408002 /nfs/dbraw/zinc/40/80/02/1051408002.db2.gz CSBDTABDTFVJHH-UHFFFAOYSA-N 1 2 369.513 2.695 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001343416697 1052217909 /nfs/dbraw/zinc/21/79/09/1052217909.db2.gz LBOIVXJXWRJVFJ-KRWDZBQOSA-N 1 2 369.517 2.697 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC001345088003 1052250860 /nfs/dbraw/zinc/25/08/60/1052250860.db2.gz XYKVSUMPUYNLNM-SJORKVTESA-N 1 2 366.465 2.611 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001343553536 1052301582 /nfs/dbraw/zinc/30/15/82/1052301582.db2.gz HYUCZISCKMVBAH-MSOLQXFVSA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001343553536 1052301587 /nfs/dbraw/zinc/30/15/87/1052301587.db2.gz HYUCZISCKMVBAH-MSOLQXFVSA-N 1 2 359.518 2.874 20 30 FFEDLO C[N@@H+]1CCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccs1 ZINC001343559733 1052307001 /nfs/dbraw/zinc/30/70/01/1052307001.db2.gz USCGAYUBYLOTKY-YOEHRIQHSA-N 1 2 360.462 2.597 20 30 FFEDLO C[N@H+]1CCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccs1 ZINC001343559733 1052307007 /nfs/dbraw/zinc/30/70/07/1052307007.db2.gz USCGAYUBYLOTKY-YOEHRIQHSA-N 1 2 360.462 2.597 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCCC[C@H]1CC ZINC001343581836 1052318526 /nfs/dbraw/zinc/31/85/26/1052318526.db2.gz VUFVWMQGVCVONX-GOSISDBHSA-N 1 2 361.534 2.827 20 30 FFEDLO COC[C@]1(C(=O)OC(C)(C)C)C[N@H+](CCC2(C#N)CCCCC2)CCO1 ZINC001307966925 1052372725 /nfs/dbraw/zinc/37/27/25/1052372725.db2.gz FLOOJEZMCKHGJB-FQEVSTJZSA-N 1 2 366.502 2.910 20 30 FFEDLO COC[C@]1(C(=O)OC(C)(C)C)C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC001307966925 1052372731 /nfs/dbraw/zinc/37/27/31/1052372731.db2.gz FLOOJEZMCKHGJB-FQEVSTJZSA-N 1 2 366.502 2.910 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1Cc1ccccc1 ZINC001343687243 1052374249 /nfs/dbraw/zinc/37/42/49/1052374249.db2.gz VCHCZZCYXBNHTE-MJGOQNOKSA-N 1 2 367.497 2.566 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1Cc1ccccc1 ZINC001343687243 1052374252 /nfs/dbraw/zinc/37/42/52/1052374252.db2.gz VCHCZZCYXBNHTE-MJGOQNOKSA-N 1 2 367.497 2.566 20 30 FFEDLO C=C(C)Cn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1C(C)(C)CC#N ZINC001343776659 1052413323 /nfs/dbraw/zinc/41/33/23/1052413323.db2.gz MSMYANKQLYSWPG-UHFFFAOYSA-N 1 2 365.485 2.767 20 30 FFEDLO C[C@@H]([NH2+][C@@H](CO)c1cc(F)ccc1F)C(=O)N(CCC#N)c1ccccc1 ZINC001308156988 1052419707 /nfs/dbraw/zinc/41/97/07/1052419707.db2.gz AHBXZUAZLQQYPS-KUHUBIRLSA-N 1 2 373.403 2.923 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(Br)nc3)C2)nc1 ZINC001308791613 1052499729 /nfs/dbraw/zinc/49/97/29/1052499729.db2.gz DTBNPLUSRNYHRV-CQSZACIVSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(Br)nc3)C2)nc1 ZINC001308791613 1052499730 /nfs/dbraw/zinc/49/97/30/1052499730.db2.gz DTBNPLUSRNYHRV-CQSZACIVSA-N 1 2 359.227 2.764 20 30 FFEDLO C=C(C)Cn1c(N2CC=C(C(C)(C)C)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001345961721 1052686048 /nfs/dbraw/zinc/68/60/48/1052686048.db2.gz KSLFTUZZDDUPNE-DYESRHJHSA-N 1 2 373.545 2.948 20 30 FFEDLO C=C(C)Cn1c(N2CC=C(C(C)(C)C)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001345961721 1052686049 /nfs/dbraw/zinc/68/60/49/1052686049.db2.gz KSLFTUZZDDUPNE-DYESRHJHSA-N 1 2 373.545 2.948 20 30 FFEDLO C=C1CCC(CNC(=O)C(=O)N(C)CCCc2[nH+]ccn2CCC)CC1 ZINC001351619663 1054923004 /nfs/dbraw/zinc/92/30/04/1054923004.db2.gz KXKAETYJUCZNDX-UHFFFAOYSA-N 1 2 360.502 2.547 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H](OC)CC[C@H]1C ZINC001351950069 1055082986 /nfs/dbraw/zinc/08/29/86/1055082986.db2.gz VOCLKRXYMMYOLU-AEFFLSMTSA-N 1 2 372.517 2.561 20 30 FFEDLO Cn1c[nH+]cc1C1CCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1 ZINC001350165685 1055654091 /nfs/dbraw/zinc/65/40/91/1055654091.db2.gz XMCJIBOZVWTUOC-IBGZPJMESA-N 1 2 363.465 2.667 20 30 FFEDLO C=CCCC(=O)N[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCCC1 ZINC001357056235 1055761929 /nfs/dbraw/zinc/76/19/29/1055761929.db2.gz UPTRAPNKAFFRLO-BRWVUGGUSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCCC(=O)N[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCCC1 ZINC001357056235 1055761940 /nfs/dbraw/zinc/76/19/40/1055761940.db2.gz UPTRAPNKAFFRLO-BRWVUGGUSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001357127892 1055786164 /nfs/dbraw/zinc/78/61/64/1055786164.db2.gz VZTZPOVENWYHDM-KTGAGVNESA-N 1 2 359.518 2.608 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001357127892 1055786173 /nfs/dbraw/zinc/78/61/73/1055786173.db2.gz VZTZPOVENWYHDM-KTGAGVNESA-N 1 2 359.518 2.608 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001338895255 1055913192 /nfs/dbraw/zinc/91/31/92/1055913192.db2.gz GMVSILCPNCYDMW-HZSPNIEDSA-N 1 2 373.423 2.777 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001338895255 1055913196 /nfs/dbraw/zinc/91/31/96/1055913196.db2.gz GMVSILCPNCYDMW-HZSPNIEDSA-N 1 2 373.423 2.777 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@@H]1c1ccccc1 ZINC001338896441 1055914340 /nfs/dbraw/zinc/91/43/40/1055914340.db2.gz WGFZUUZCGNLDBY-KSZLIROESA-N 1 2 353.470 2.543 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H]1c1ccccc1 ZINC001338896441 1055914352 /nfs/dbraw/zinc/91/43/52/1055914352.db2.gz WGFZUUZCGNLDBY-KSZLIROESA-N 1 2 353.470 2.543 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc([C@@]2(C)C[C@H](O)C[N@@H+]2C)n1CC(C)C ZINC001358103925 1056140724 /nfs/dbraw/zinc/14/07/24/1056140724.db2.gz BUMWAELJKDWSBM-FUHIMQAGSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc([C@@]2(C)C[C@H](O)C[N@H+]2C)n1CC(C)C ZINC001358103925 1056140734 /nfs/dbraw/zinc/14/07/34/1056140734.db2.gz BUMWAELJKDWSBM-FUHIMQAGSA-N 1 2 361.534 2.781 20 30 FFEDLO CN(C)c1[nH+]ccc2c1CN(c1nnc(C(C)(C)C#N)n1CC1CC1)CC2 ZINC001351333709 1056205351 /nfs/dbraw/zinc/20/53/51/1056205351.db2.gz IQCZRSJJVMMJJL-UHFFFAOYSA-N 1 2 365.485 2.513 20 30 FFEDLO C=CCNC(=S)NCc1c[nH+]cn1Cc1ccccc1Br ZINC001200302332 1056291850 /nfs/dbraw/zinc/29/18/50/1056291850.db2.gz LGEKNMYGZAOBOQ-UHFFFAOYSA-N 1 2 365.300 2.844 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C/C=C\CC)CC1 ZINC001359033316 1056665790 /nfs/dbraw/zinc/66/57/90/1056665790.db2.gz XUCXMDPUSZSUNN-SREVYHEPSA-N 1 2 365.481 2.675 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)CCC(=O)CCC(=O)c2ccc(C)s2)CC1 ZINC001444335777 1058297767 /nfs/dbraw/zinc/29/77/67/1058297767.db2.gz BZEWNUDEFIYQSO-UHFFFAOYSA-N 1 2 374.506 2.536 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)CCC(=O)CCC(=O)c2ccc(C)s2)CC1 ZINC001444335777 1058297787 /nfs/dbraw/zinc/29/77/87/1058297787.db2.gz BZEWNUDEFIYQSO-UHFFFAOYSA-N 1 2 374.506 2.536 20 30 FFEDLO C#CCN(CC)c1nnc(CC)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001300629175 1059078801 /nfs/dbraw/zinc/07/88/01/1059078801.db2.gz MVAMCQHELJSMCO-UHFFFAOYSA-N 1 2 366.513 2.980 20 30 FFEDLO C=CCN(CCOC)c1nnc(C[NH+]2CCCC2)n1Cc1cccs1 ZINC001515027854 1059236866 /nfs/dbraw/zinc/23/68/66/1059236866.db2.gz ZOWACYDAVYASOS-UHFFFAOYSA-N 1 2 361.515 2.623 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CCCOC2CCCC2)CC1 ZINC001300682335 1059316704 /nfs/dbraw/zinc/31/67/04/1059316704.db2.gz GMKAUWJPQDYEAJ-SFHVURJKSA-N 1 2 373.545 2.896 20 30 FFEDLO C=C(C)Cn1c(N2CC[NH+](Cc3ccccn3)CC2)nnc1C(C)(C)F ZINC001515588396 1059710006 /nfs/dbraw/zinc/71/00/06/1059710006.db2.gz IEFNXEOHIUYLMT-UHFFFAOYSA-N 1 2 358.465 2.776 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(F)CC1 ZINC001516047930 1059941699 /nfs/dbraw/zinc/94/16/99/1059941699.db2.gz VLJDWGXDWDBLSI-MRXNPFEDSA-N 1 2 351.470 2.574 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(F)CC1 ZINC001516047930 1059941722 /nfs/dbraw/zinc/94/17/22/1059941722.db2.gz VLJDWGXDWDBLSI-MRXNPFEDSA-N 1 2 351.470 2.574 20 30 FFEDLO COc1ccc(OCc2ccccn2)c(C=NNCCCn2cc[nH+]c2)c1 ZINC000848417565 1059972196 /nfs/dbraw/zinc/97/21/96/1059972196.db2.gz BMQRSJRYMXCDDB-UHFFFAOYSA-N 1 2 365.437 2.880 20 30 FFEDLO COc1ccc(C(C)=NNCCCn2cc[nH+]c2)cc1Cn1cccn1 ZINC000848419421 1059980266 /nfs/dbraw/zinc/98/02/66/1059980266.db2.gz XIHXLKCCTQJMQZ-UHFFFAOYSA-N 1 2 352.442 2.540 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1C ZINC001521073213 1060361339 /nfs/dbraw/zinc/36/13/39/1060361339.db2.gz IINBJEIKAQIGFE-QEEYODRMSA-N 1 2 354.454 2.656 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[NH+]2CC(O)(c3cccc4ccccc43)C2)cc1 ZINC000848674102 1060434113 /nfs/dbraw/zinc/43/41/13/1060434113.db2.gz KWNBHMGWNCNMTA-LJQANCHMSA-N 1 2 374.440 2.655 20 30 FFEDLO C=CCn1c(Nc2cnn(C3CCC3)c2)nnc1[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001355886428 1060696248 /nfs/dbraw/zinc/69/62/48/1060696248.db2.gz GXMCQQWLKZHHDD-KRWDZBQOSA-N 1 2 371.489 2.911 20 30 FFEDLO C=CCn1c(Nc2cnn(C3CCC3)c2)nnc1[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001355886428 1060696250 /nfs/dbraw/zinc/69/62/50/1060696250.db2.gz GXMCQQWLKZHHDD-KRWDZBQOSA-N 1 2 371.489 2.911 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)CCCCC1 ZINC001512867399 1060732732 /nfs/dbraw/zinc/73/27/32/1060732732.db2.gz QUWNMIHBRIHZTH-FUHWJXTLSA-N 1 2 370.497 2.538 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC(C2CCC2)CC1 ZINC001355967398 1060768863 /nfs/dbraw/zinc/76/88/63/1060768863.db2.gz AYOKUPQZOSHUJF-UHFFFAOYSA-N 1 2 373.545 2.685 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NCCn2c[nH+]cc2-c2ccccc2)c(F)c1 ZINC001475539531 1061131125 /nfs/dbraw/zinc/13/11/25/1061131125.db2.gz JFRQDBCUBCKXNS-UHFFFAOYSA-N 1 2 370.409 2.539 20 30 FFEDLO C=CC[N@@H+](Cc1cc(C)c(C2OCCO2)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC001461941144 1061457897 /nfs/dbraw/zinc/45/78/97/1061457897.db2.gz OSJFLVMPJJRTKF-KRWDZBQOSA-N 1 2 365.495 2.524 20 30 FFEDLO C=CC[N@H+](Cc1cc(C)c(C2OCCO2)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC001461941144 1061457905 /nfs/dbraw/zinc/45/79/05/1061457905.db2.gz OSJFLVMPJJRTKF-KRWDZBQOSA-N 1 2 365.495 2.524 20 30 FFEDLO C=CC[N@@H+](Cc1cc(C)c(C2OCCO2)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC001461941333 1061458997 /nfs/dbraw/zinc/45/89/97/1061458997.db2.gz OSJFLVMPJJRTKF-QGZVFWFLSA-N 1 2 365.495 2.524 20 30 FFEDLO C=CC[N@H+](Cc1cc(C)c(C2OCCO2)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC001461941333 1061459001 /nfs/dbraw/zinc/45/90/01/1061459001.db2.gz OSJFLVMPJJRTKF-QGZVFWFLSA-N 1 2 365.495 2.524 20 30 FFEDLO N#Cc1ccsc1NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001476828561 1061489443 /nfs/dbraw/zinc/48/94/43/1061489443.db2.gz UGRJWWBMMQBWRP-QGZVFWFLSA-N 1 2 370.478 2.685 20 30 FFEDLO C=CC1(CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2)C3)CCCCC1 ZINC001522170903 1061661674 /nfs/dbraw/zinc/66/16/74/1061661674.db2.gz HAEAIWRBLXKQOI-SQNIBIBYSA-N 1 2 370.497 2.658 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)on2)[C@@H]1CC ZINC001479633619 1062663604 /nfs/dbraw/zinc/66/36/04/1062663604.db2.gz NONHZCWQMMQXDO-RZQQEMMASA-N 1 2 363.502 2.768 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)on2)[C@@H]1CC ZINC001479633619 1062663614 /nfs/dbraw/zinc/66/36/14/1062663614.db2.gz NONHZCWQMMQXDO-RZQQEMMASA-N 1 2 363.502 2.768 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC(NC(=O)CCC)CC1 ZINC001523991358 1062680326 /nfs/dbraw/zinc/68/03/26/1062680326.db2.gz KTWUQZRXOBCQOV-QGZVFWFLSA-N 1 2 374.533 2.506 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC(NC(=O)CCC)CC1 ZINC001523991358 1062680340 /nfs/dbraw/zinc/68/03/40/1062680340.db2.gz KTWUQZRXOBCQOV-QGZVFWFLSA-N 1 2 374.533 2.506 20 30 FFEDLO C#CC1CCN(c2nnc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)n2CC(C)C)CC1 ZINC001524832516 1063014994 /nfs/dbraw/zinc/01/49/94/1063014994.db2.gz ZXHZXDDQBPHSIH-RTBURBONSA-N 1 2 371.529 2.710 20 30 FFEDLO C#CC1CCN(c2nnc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)n2CC(C)C)CC1 ZINC001524832516 1063015014 /nfs/dbraw/zinc/01/50/14/1063015014.db2.gz ZXHZXDDQBPHSIH-RTBURBONSA-N 1 2 371.529 2.710 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3cscc3C#N)C2)c1 ZINC001532312915 1063031128 /nfs/dbraw/zinc/03/11/28/1063031128.db2.gz HFNAHRYSBDCTJK-QGZVFWFLSA-N 1 2 355.463 2.559 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3cscc3C#N)C2)c1 ZINC001532312915 1063031150 /nfs/dbraw/zinc/03/11/50/1063031150.db2.gz HFNAHRYSBDCTJK-QGZVFWFLSA-N 1 2 355.463 2.559 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)[C@H](C)Sc2nc3ccccc3s2)CC1 ZINC001465278798 1063038464 /nfs/dbraw/zinc/03/84/64/1063038464.db2.gz ZMOGIGDLBWBLFQ-AWEZNQCLSA-N 1 2 359.520 2.944 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)[C@H](C)Sc2nc3ccccc3s2)CC1 ZINC001465278798 1063038483 /nfs/dbraw/zinc/03/84/83/1063038483.db2.gz ZMOGIGDLBWBLFQ-AWEZNQCLSA-N 1 2 359.520 2.944 20 30 FFEDLO Cc1[nH]c(CNC(=O)c2cccc(CNc3ncccc3C#N)c2)[nH+]c1C ZINC001465749042 1063202858 /nfs/dbraw/zinc/20/28/58/1063202858.db2.gz JSMSMEKNDKRDCX-UHFFFAOYSA-N 1 2 360.421 2.835 20 30 FFEDLO C=CC(C)(C)CCNC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC001470905318 1064485191 /nfs/dbraw/zinc/48/51/91/1064485191.db2.gz WUJRYIGLEVXNFF-UHFFFAOYSA-N 1 2 353.507 2.694 20 30 FFEDLO C#CC[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC001574985861 1078097713 /nfs/dbraw/zinc/09/77/13/1078097713.db2.gz NDYBRLRJJBJJPF-QGZVFWFLSA-N 1 2 371.529 2.837 20 30 FFEDLO C[C@@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])c(N)c3C#N)c[nH+]2)C[C@H](C)O1 ZINC001472772491 1065142791 /nfs/dbraw/zinc/14/27/91/1065142791.db2.gz LEPDVEMYNAXDCD-TXEJJXNPSA-N 1 2 368.397 2.801 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)C[C@H](O)c1cccc(C#N)c1 ZINC001473619590 1065298340 /nfs/dbraw/zinc/29/83/40/1065298340.db2.gz HPTNLDMBVBCROA-KRWDZBQOSA-N 1 2 361.804 2.955 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccc(F)cc1Cl)C[C@H](O)c1cccc(C#N)c1 ZINC001473619590 1065298354 /nfs/dbraw/zinc/29/83/54/1065298354.db2.gz HPTNLDMBVBCROA-KRWDZBQOSA-N 1 2 361.804 2.955 20 30 FFEDLO COc1cc[nH+]cc1Cn1c(C)nnc1N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC001555120613 1075645215 /nfs/dbraw/zinc/64/52/15/1075645215.db2.gz FJUGQVQAAJJPJM-MJGOQNOKSA-N 1 2 374.448 2.782 20 30 FFEDLO C#C[C@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1)c1ccc(F)cc1 ZINC001556730246 1075769335 /nfs/dbraw/zinc/76/93/35/1075769335.db2.gz JKVYGUZZGZITOD-PMACEKPBSA-N 1 2 352.409 2.899 20 30 FFEDLO C#C[C@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1)c1ccc(F)cc1 ZINC001556730246 1075769339 /nfs/dbraw/zinc/76/93/39/1075769339.db2.gz JKVYGUZZGZITOD-PMACEKPBSA-N 1 2 352.409 2.899 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC001559938649 1076204204 /nfs/dbraw/zinc/20/42/04/1076204204.db2.gz QTSOYPCUQIHPBC-KRWDZBQOSA-N 1 2 372.432 2.567 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC001559938649 1076204207 /nfs/dbraw/zinc/20/42/07/1076204207.db2.gz QTSOYPCUQIHPBC-KRWDZBQOSA-N 1 2 372.432 2.567 20 30 FFEDLO N#Cc1cccnc1NCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC001560294061 1076261088 /nfs/dbraw/zinc/26/10/88/1076261088.db2.gz MCGQLXREZRBMII-UHFFFAOYSA-N 1 2 365.206 2.762 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nn(C)cc3Cl)CC[C@@H]2C1 ZINC001566048270 1076876935 /nfs/dbraw/zinc/87/69/35/1076876935.db2.gz HQIDFPLGSFKUMB-CVEARBPZSA-N 1 2 362.905 2.547 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H]2C[N@H+](Cc3nn(C)cc3Cl)CC[C@@H]2C1 ZINC001566048270 1076876937 /nfs/dbraw/zinc/87/69/37/1076876937.db2.gz HQIDFPLGSFKUMB-CVEARBPZSA-N 1 2 362.905 2.547 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001572700873 1077348550 /nfs/dbraw/zinc/34/85/50/1077348550.db2.gz RLTZNPFYIFZLJE-CBGDNZLLSA-N 1 2 370.497 2.781 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001572700873 1077348553 /nfs/dbraw/zinc/34/85/53/1077348553.db2.gz RLTZNPFYIFZLJE-CBGDNZLLSA-N 1 2 370.497 2.781 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC001573595839 1077749645 /nfs/dbraw/zinc/74/96/45/1077749645.db2.gz LQIVTZGOOHPULH-AFBRZQFHSA-N 1 2 354.454 2.884 20 30 FFEDLO C=CCC(CC=C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001574245944 1077938309 /nfs/dbraw/zinc/93/83/09/1077938309.db2.gz COYKLUJSGLDUIX-NQYYFHDYSA-N 1 2 370.497 2.851 20 30 FFEDLO C=C(C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001574251777 1077939749 /nfs/dbraw/zinc/93/97/49/1077939749.db2.gz VQNHRSSVWOKPRG-SQNIBIBYSA-N 1 2 366.465 2.861 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2sc(NC(=O)c3ccco3)cc2C)CC1 ZINC001586493712 1079639111 /nfs/dbraw/zinc/63/91/11/1079639111.db2.gz DAUWESYGLQNSRU-UHFFFAOYSA-N 1 2 371.462 2.683 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2sc(NC(=O)c3ccco3)cc2C)CC1 ZINC001586493712 1079639113 /nfs/dbraw/zinc/63/91/13/1079639113.db2.gz DAUWESYGLQNSRU-UHFFFAOYSA-N 1 2 371.462 2.683 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3([C@H]4CCCCO4)CCC3)CC2)cc1 ZINC001586913534 1079704753 /nfs/dbraw/zinc/70/47/53/1079704753.db2.gz KODWSIARXSGRAB-HXUWFJFHSA-N 1 2 367.493 2.942 20 30 FFEDLO C#CC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC001588350694 1079991591 /nfs/dbraw/zinc/99/15/91/1079991591.db2.gz LSYMFWZGPOSULO-GOSISDBHSA-N 1 2 374.404 2.898 20 30 FFEDLO C#CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC001588350694 1079991594 /nfs/dbraw/zinc/99/15/94/1079991594.db2.gz LSYMFWZGPOSULO-GOSISDBHSA-N 1 2 374.404 2.898 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC=C(c3ccnn3C)CC2)c(C#N)c1C ZINC000285697018 257000068 /nfs/dbraw/zinc/00/00/68/257000068.db2.gz SCQMDGKFEXIYQG-ZDUSSCGKSA-N 1 2 353.426 2.618 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC=C(c3ccnn3C)CC2)c(C#N)c1C ZINC000285697018 257000069 /nfs/dbraw/zinc/00/00/69/257000069.db2.gz SCQMDGKFEXIYQG-ZDUSSCGKSA-N 1 2 353.426 2.618 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)C2=O)cc1 ZINC000028708699 249347968 /nfs/dbraw/zinc/34/79/68/249347968.db2.gz ROHDBFWSKNYCFV-HXUWFJFHSA-N 1 2 364.424 2.625 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000029658010 249350509 /nfs/dbraw/zinc/35/05/09/249350509.db2.gz SNXWQMSWRFFDLT-UYAOXDASSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000029658010 249350513 /nfs/dbraw/zinc/35/05/13/249350513.db2.gz SNXWQMSWRFFDLT-UYAOXDASSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccccc1Oc1ccc(NC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000072020457 249761586 /nfs/dbraw/zinc/76/15/86/249761586.db2.gz SJGLFUXJEGKLNY-UHFFFAOYSA-N 1 2 366.421 2.804 20 30 FFEDLO C[N@@H+](Cc1nc2c(s1)CCCC2)C[C@H](O)COc1ccc(C#N)cc1 ZINC000175548981 251227167 /nfs/dbraw/zinc/22/71/67/251227167.db2.gz UVEMNJUHAINMJK-HNNXBMFYSA-N 1 2 357.479 2.765 20 30 FFEDLO C[N@H+](Cc1nc2c(s1)CCCC2)C[C@H](O)COc1ccc(C#N)cc1 ZINC000175548981 251227168 /nfs/dbraw/zinc/22/71/68/251227168.db2.gz UVEMNJUHAINMJK-HNNXBMFYSA-N 1 2 357.479 2.765 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192623482 251296437 /nfs/dbraw/zinc/29/64/37/251296437.db2.gz RKBNOMJOQSYENG-ROUUACIJSA-N 1 2 369.465 2.860 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192623482 251296439 /nfs/dbraw/zinc/29/64/39/251296439.db2.gz RKBNOMJOQSYENG-ROUUACIJSA-N 1 2 369.465 2.860 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000273073630 252207747 /nfs/dbraw/zinc/20/77/47/252207747.db2.gz ARRWPUFLGGHEBV-UHFFFAOYSA-N 1 2 369.425 2.718 20 30 FFEDLO Cc1nn(C(C)(C)C)cc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000273094073 252213298 /nfs/dbraw/zinc/21/32/98/252213298.db2.gz JGMZNYSQKWXPGO-UHFFFAOYSA-N 1 2 365.481 2.776 20 30 FFEDLO N#Cc1ccnc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000273412192 252301910 /nfs/dbraw/zinc/30/19/10/252301910.db2.gz XPGGYMWCBLNKJO-UHFFFAOYSA-N 1 2 374.404 2.863 20 30 FFEDLO N#Cc1cc(NC[C@H](c2cccs2)[NH+]2CCOCC2)cc(N)c1[N+](=O)[O-] ZINC000285749256 257002583 /nfs/dbraw/zinc/00/25/83/257002583.db2.gz UPQMZGVGIZLEKQ-OAHLLOKOSA-N 1 2 373.438 2.596 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2nncn2-c2ccccc2)CC1 ZINC000277918493 256255485 /nfs/dbraw/zinc/25/54/85/256255485.db2.gz HFBOCVXQKCRISZ-UHFFFAOYSA-N 1 2 358.449 2.851 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2nncn2-c2ccccc2)CC1 ZINC000277918493 256255487 /nfs/dbraw/zinc/25/54/87/256255487.db2.gz HFBOCVXQKCRISZ-UHFFFAOYSA-N 1 2 358.449 2.851 20 30 FFEDLO N#Cc1cc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cc(N)c1[N+](=O)[O-] ZINC000283558171 256886896 /nfs/dbraw/zinc/88/68/96/256886896.db2.gz NBVVUUYKOLFTCG-SFHVURJKSA-N 1 2 367.409 2.534 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c(Br)c1 ZINC000284835376 256953810 /nfs/dbraw/zinc/95/38/10/256953810.db2.gz PETWFFSIOGUROC-USXIJHARSA-N 1 2 365.271 2.683 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c(Br)c1 ZINC000284835376 256953811 /nfs/dbraw/zinc/95/38/11/256953811.db2.gz PETWFFSIOGUROC-USXIJHARSA-N 1 2 365.271 2.683 20 30 FFEDLO N#Cc1cncc(S(=O)(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)c1 ZINC000290909726 257363789 /nfs/dbraw/zinc/36/37/89/257363789.db2.gz GPJZPFHRFAFITL-UHFFFAOYSA-N 1 2 367.434 2.830 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000293271420 257539333 /nfs/dbraw/zinc/53/93/33/257539333.db2.gz JHPRPZDWZFWFAI-FQEVSTJZSA-N 1 2 364.445 2.798 20 30 FFEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000301154837 258030103 /nfs/dbraw/zinc/03/01/03/258030103.db2.gz CNXFSXVHIWUUIG-CYBMUJFWSA-N 1 2 368.403 2.614 20 30 FFEDLO N#Cc1ccc(Cl)cc1N1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000301268873 258039160 /nfs/dbraw/zinc/03/91/60/258039160.db2.gz IWTHCVPUPWRSSJ-GOSISDBHSA-N 1 2 354.841 2.560 20 30 FFEDLO N#Cc1cccc(C#N)c1NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000302403040 258100747 /nfs/dbraw/zinc/10/07/47/258100747.db2.gz FFKUZYKJKGDVKX-UHFFFAOYSA-N 1 2 359.433 2.945 20 30 FFEDLO Cc1cc(N2CC[NH+](Cc3ccon3)CC2)n2c3ccccc3nc2c1C#N ZINC000301435152 258049520 /nfs/dbraw/zinc/04/95/20/258049520.db2.gz HFGXDDVUEXSZKQ-UHFFFAOYSA-N 1 2 372.432 2.978 20 30 FFEDLO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000332093317 258213648 /nfs/dbraw/zinc/21/36/48/258213648.db2.gz AMXTWAJOOIKPNF-UHFFFAOYSA-N 1 2 373.453 2.512 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c(OC(F)F)c1 ZINC000331858184 258203375 /nfs/dbraw/zinc/20/33/75/258203375.db2.gz AWIFIBJAMMXFRE-OAGGEKHMSA-N 1 2 352.381 2.521 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c(OC(F)F)c1 ZINC000331858184 258203376 /nfs/dbraw/zinc/20/33/76/258203376.db2.gz AWIFIBJAMMXFRE-OAGGEKHMSA-N 1 2 352.381 2.521 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(F)cc3C#N)c[nH+]2)CCO1 ZINC000097472988 132229405 /nfs/dbraw/zinc/22/94/05/132229405.db2.gz YKZXLHPDSHKDEX-ZDUSSCGKSA-N 1 2 369.400 2.639 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)CCC2 ZINC000370954929 512151820 /nfs/dbraw/zinc/15/18/20/512151820.db2.gz WPGZWJLAMSJHCR-LBPRGKRZSA-N 1 2 364.858 2.573 20 30 FFEDLO COc1ccccc1NC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052800954 506252320 /nfs/dbraw/zinc/25/23/20/506252320.db2.gz LDRFAVRHAAFSJF-UHFFFAOYSA-N 1 2 364.449 2.718 20 30 FFEDLO COc1ccccc1NC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052800954 506252326 /nfs/dbraw/zinc/25/23/26/506252326.db2.gz LDRFAVRHAAFSJF-UHFFFAOYSA-N 1 2 364.449 2.718 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000366816269 512198878 /nfs/dbraw/zinc/19/88/78/512198878.db2.gz RLZKOQRDILPJJQ-LBPRGKRZSA-N 1 2 361.352 2.915 20 30 FFEDLO Cc1nc(CC(N)=[NH+]OCC(=O)Nc2ccc(OC(F)F)cc2)cs1 ZINC000054391021 506550143 /nfs/dbraw/zinc/55/01/43/506550143.db2.gz AAOMYKAWPFLIFF-UHFFFAOYSA-N 1 2 370.381 2.523 20 30 FFEDLO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1/N=C/c1ccccc1O ZINC000067005681 506724565 /nfs/dbraw/zinc/72/45/65/506724565.db2.gz KMCUEZVAYFHKIP-KGENOOAVSA-N 1 2 353.422 2.539 20 30 FFEDLO NC(=[NH+]OCc1noc(C2CC2)n1)c1cccc(OCc2cccnc2)c1 ZINC000067099164 506757802 /nfs/dbraw/zinc/75/78/02/506757802.db2.gz NSQADVGPSSYTFL-UHFFFAOYSA-N 1 2 365.393 2.758 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000055815938 506858006 /nfs/dbraw/zinc/85/80/06/506858006.db2.gz XNNVFEXHODVGEQ-INIZCTEOSA-N 1 2 365.433 2.796 20 30 FFEDLO N#Cc1cccnc1-n1cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC000373413302 512318023 /nfs/dbraw/zinc/31/80/23/512318023.db2.gz QCWMJOVSTUYOGW-UHFFFAOYSA-N 1 2 369.388 2.636 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)COc1ccccc1C#N)c1ccc(F)cc1 ZINC000016470983 507090429 /nfs/dbraw/zinc/09/04/29/507090429.db2.gz YDPYIQRVTIFVDR-IBGZPJMESA-N 1 2 364.380 2.715 20 30 FFEDLO N#Cc1cccc(CNC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c1 ZINC000057311389 507235487 /nfs/dbraw/zinc/23/54/87/507235487.db2.gz OJGTXLXEFXUHCK-UHFFFAOYSA-N 1 2 373.416 2.714 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000057844835 507342379 /nfs/dbraw/zinc/34/23/79/507342379.db2.gz JBVSJPJMKKRSQC-CYBMUJFWSA-N 1 2 371.407 2.608 20 30 FFEDLO CC(C)[C@H](NC(=O)C[NH+]1CCC(C#N)CC1)c1ccc2c(c1)OCCCO2 ZINC000057906238 507350277 /nfs/dbraw/zinc/35/02/77/507350277.db2.gz CMDOVYCJFHALNU-NRFANRHFSA-N 1 2 371.481 2.897 20 30 FFEDLO Cc1csc(N2CC[NH+](CC(=O)N(CCC#N)c3ccccc3)CC2)n1 ZINC000048008218 507434386 /nfs/dbraw/zinc/43/43/86/507434386.db2.gz KLCLVKADJGTSPC-UHFFFAOYSA-N 1 2 369.494 2.520 20 30 FFEDLO Cc1csc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000069324766 507466193 /nfs/dbraw/zinc/46/61/93/507466193.db2.gz MVTIXGQTMVQSFL-OAHLLOKOSA-N 1 2 369.494 2.912 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000048230799 507484551 /nfs/dbraw/zinc/48/45/51/507484551.db2.gz FTHWBDWLVYYHFD-UHFFFAOYSA-N 1 2 358.511 2.908 20 30 FFEDLO C=CCNC(=O)[C@@H](C)Sc1nnc([C@H](CC)[NH+](C)C)n1CCCC ZINC000069449774 507492477 /nfs/dbraw/zinc/49/24/77/507492477.db2.gz PGIGQOKIVVKWKP-KGLIPLIRSA-N 1 2 353.536 2.874 20 30 FFEDLO N#Cc1ccc(CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000048507028 507530902 /nfs/dbraw/zinc/53/09/02/507530902.db2.gz QPCYIMYVIXLKOY-UHFFFAOYSA-N 1 2 359.433 2.845 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481801 507550434 /nfs/dbraw/zinc/55/04/34/507550434.db2.gz RRKLWVMWLITIPL-CQSZACIVSA-N 1 2 369.856 2.756 20 30 FFEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481251 507550977 /nfs/dbraw/zinc/55/09/77/507550977.db2.gz DGHSBGDPNZTUKK-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)CN3CCC(C#N)CC3)CC2)cc1 ZINC000060893331 507583744 /nfs/dbraw/zinc/58/37/44/507583744.db2.gz XCJQRAVLHRHUKP-UHFFFAOYSA-N 1 2 368.525 2.690 20 30 FFEDLO CCOC(=O)C1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000027540924 507661955 /nfs/dbraw/zinc/66/19/55/507661955.db2.gz GLXNXQDHJUEWEW-UHFFFAOYSA-N 1 2 371.481 2.825 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000369337544 512357384 /nfs/dbraw/zinc/35/73/84/512357384.db2.gz CLSZNUNEMJWXKN-CYBMUJFWSA-N 1 2 364.858 2.513 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029859691 507793767 /nfs/dbraw/zinc/79/37/67/507793767.db2.gz RVYMWAZAAIUALU-INIZCTEOSA-N 1 2 358.461 2.632 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+]1CCCN(c2nccs2)CC1)c1ccccc1 ZINC000064402219 507795071 /nfs/dbraw/zinc/79/50/71/507795071.db2.gz GVVVIFAJAWEAMZ-UHFFFAOYSA-N 1 2 369.494 2.602 20 30 FFEDLO N#CCCN(C(=O)C[N@H+]1CCCN(c2nccs2)CC1)c1ccccc1 ZINC000064402219 507795074 /nfs/dbraw/zinc/79/50/74/507795074.db2.gz GVVVIFAJAWEAMZ-UHFFFAOYSA-N 1 2 369.494 2.602 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000052213518 507801985 /nfs/dbraw/zinc/80/19/85/507801985.db2.gz SOVLSTPOLGWPNH-CQSZACIVSA-N 1 2 366.259 2.598 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000052213518 507801987 /nfs/dbraw/zinc/80/19/87/507801987.db2.gz SOVLSTPOLGWPNH-CQSZACIVSA-N 1 2 366.259 2.598 20 30 FFEDLO COc1cccc(N2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000030963625 507815573 /nfs/dbraw/zinc/81/55/73/507815573.db2.gz MDHOOLXDUSBRSY-KRWDZBQOSA-N 1 2 370.497 2.548 20 30 FFEDLO CC(C)CN(C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1)C(C)C ZINC000052640917 507816525 /nfs/dbraw/zinc/81/65/25/507816525.db2.gz HIMIPNFJKBDNAP-UHFFFAOYSA-N 1 2 360.477 2.712 20 30 FFEDLO Cc1c(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cccc1[N+](=O)[O-] ZINC000052638218 507816583 /nfs/dbraw/zinc/81/65/83/507816583.db2.gz KJDYHGRVMZGUIW-UHFFFAOYSA-N 1 2 367.409 2.963 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072898067 507870697 /nfs/dbraw/zinc/87/06/97/507870697.db2.gz GYMCSUOGOCYHHR-MSOLQXFVSA-N 1 2 364.405 2.965 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072898067 507870700 /nfs/dbraw/zinc/87/07/00/507870700.db2.gz GYMCSUOGOCYHHR-MSOLQXFVSA-N 1 2 364.405 2.965 20 30 FFEDLO Cc1cc(OC(C)C)ccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000078498109 507877173 /nfs/dbraw/zinc/87/71/73/507877173.db2.gz UVZUEAZFCUPOFS-UHFFFAOYSA-N 1 2 374.485 2.862 20 30 FFEDLO N#CC1(NC(=O)C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)CCCCC1 ZINC000078657570 507894221 /nfs/dbraw/zinc/89/42/21/507894221.db2.gz JEWZPTCUJXMHLF-UHFFFAOYSA-N 1 2 369.465 2.630 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)CC ZINC000078709124 507899403 /nfs/dbraw/zinc/89/94/03/507899403.db2.gz GJQNVZBUZZYGMX-MRXNPFEDSA-N 1 2 370.497 2.948 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)CC ZINC000078709124 507899406 /nfs/dbraw/zinc/89/94/06/507899406.db2.gz GJQNVZBUZZYGMX-MRXNPFEDSA-N 1 2 370.497 2.948 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cc(F)ccc3F)CC2)cc1 ZINC000079298288 507952096 /nfs/dbraw/zinc/95/20/96/507952096.db2.gz WEPAWYGLHLLOFT-UHFFFAOYSA-N 1 2 355.388 2.723 20 30 FFEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000109813950 507989284 /nfs/dbraw/zinc/98/92/84/507989284.db2.gz APPHFAYTWQCYDK-GOSISDBHSA-N 1 2 356.514 2.891 20 30 FFEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000109813950 507989286 /nfs/dbraw/zinc/98/92/86/507989286.db2.gz APPHFAYTWQCYDK-GOSISDBHSA-N 1 2 356.514 2.891 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000091792245 508013112 /nfs/dbraw/zinc/01/31/12/508013112.db2.gz MTTJJMJSRIBJNC-UHFFFAOYSA-N 1 2 352.394 2.884 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000091792245 508013113 /nfs/dbraw/zinc/01/31/13/508013113.db2.gz MTTJJMJSRIBJNC-UHFFFAOYSA-N 1 2 352.394 2.884 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000091918023 508024305 /nfs/dbraw/zinc/02/43/05/508024305.db2.gz RPCFRLDMLSEARZ-UHFFFAOYSA-N 1 2 356.357 2.633 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)Cc1ccc(OCC#N)cc1 ZINC000110629455 508037874 /nfs/dbraw/zinc/03/78/74/508037874.db2.gz MIZULXYNJDZHFP-UHFFFAOYSA-N 1 2 362.433 2.996 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1OC ZINC000110953812 508059660 /nfs/dbraw/zinc/05/96/60/508059660.db2.gz HVQVXGVSFMYUQT-SFHVURJKSA-N 1 2 374.481 2.587 20 30 FFEDLO C[N@H+](CCn1cccn1)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000111279500 508085106 /nfs/dbraw/zinc/08/51/06/508085106.db2.gz IUUNZIQZUHIFHJ-UHFFFAOYSA-N 1 2 357.483 2.656 20 30 FFEDLO C[N@@H+](CCn1cccn1)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000111279500 508085109 /nfs/dbraw/zinc/08/51/09/508085109.db2.gz IUUNZIQZUHIFHJ-UHFFFAOYSA-N 1 2 357.483 2.656 20 30 FFEDLO COc1ccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1OCCCC#N ZINC000092703459 508095217 /nfs/dbraw/zinc/09/52/17/508095217.db2.gz IGFLQMIOYAXKPF-SJORKVTESA-N 1 2 357.454 2.621 20 30 FFEDLO COc1ccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1OCCCC#N ZINC000092703459 508095219 /nfs/dbraw/zinc/09/52/19/508095219.db2.gz IGFLQMIOYAXKPF-SJORKVTESA-N 1 2 357.454 2.621 20 30 FFEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1O ZINC000080985426 508121671 /nfs/dbraw/zinc/12/16/71/508121671.db2.gz HUFUFNKEBOHQHO-UHFFFAOYSA-N 1 2 359.813 2.996 20 30 FFEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1O ZINC000080985426 508121674 /nfs/dbraw/zinc/12/16/74/508121674.db2.gz HUFUFNKEBOHQHO-UHFFFAOYSA-N 1 2 359.813 2.996 20 30 FFEDLO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000093282945 508135049 /nfs/dbraw/zinc/13/50/49/508135049.db2.gz ACKLQVVPDULMJD-AWEZNQCLSA-N 1 2 361.442 2.618 20 30 FFEDLO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000093282945 508135050 /nfs/dbraw/zinc/13/50/50/508135050.db2.gz ACKLQVVPDULMJD-AWEZNQCLSA-N 1 2 361.442 2.618 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3noc(CC)n3)CC2)cc1OC ZINC000093283778 508135158 /nfs/dbraw/zinc/13/51/58/508135158.db2.gz MIBBSPJULVOLOA-UHFFFAOYSA-N 1 2 372.469 2.523 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000093284425 508135328 /nfs/dbraw/zinc/13/53/28/508135328.db2.gz MGFMLQWXDGWSQY-SJORKVTESA-N 1 2 358.438 2.684 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000093284425 508135332 /nfs/dbraw/zinc/13/53/32/508135332.db2.gz MGFMLQWXDGWSQY-SJORKVTESA-N 1 2 358.438 2.684 20 30 FFEDLO CCN(CCC#N)C(=O)CN1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000075863404 508139628 /nfs/dbraw/zinc/13/96/28/508139628.db2.gz MTEGIWOSNHMFGW-MRXNPFEDSA-N 1 2 362.905 2.781 20 30 FFEDLO CCN(CCC#N)C(=O)C[NH+]1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000075863404 508139630 /nfs/dbraw/zinc/13/96/30/508139630.db2.gz MTEGIWOSNHMFGW-MRXNPFEDSA-N 1 2 362.905 2.781 20 30 FFEDLO Cc1ccc(-c2cc(CN(CCC#N)CC[NH+]3CCOCC3)on2)cc1 ZINC000081158460 508142496 /nfs/dbraw/zinc/14/24/96/508142496.db2.gz NXSRSQXFIOGQER-UHFFFAOYSA-N 1 2 354.454 2.698 20 30 FFEDLO Cc1ccc(-c2nc(CN(CCC#N)CC[NH+]3CCOCC3)cs2)o1 ZINC000081211945 508148106 /nfs/dbraw/zinc/14/81/06/508148106.db2.gz OSQKMCJNXJMVKS-UHFFFAOYSA-N 1 2 360.483 2.759 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc1 ZINC000081275645 508154284 /nfs/dbraw/zinc/15/42/84/508154284.db2.gz MIRXTKOHOIUJFC-IBGZPJMESA-N 1 2 364.449 2.601 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cc1 ZINC000081275645 508154288 /nfs/dbraw/zinc/15/42/88/508154288.db2.gz MIRXTKOHOIUJFC-IBGZPJMESA-N 1 2 364.449 2.601 20 30 FFEDLO COC(=O)[C@]1(F)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000093887337 508158911 /nfs/dbraw/zinc/15/89/11/508158911.db2.gz QQESMMWNTHZOOX-IBGZPJMESA-N 1 2 356.401 2.551 20 30 FFEDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000093887337 508158912 /nfs/dbraw/zinc/15/89/12/508158912.db2.gz QQESMMWNTHZOOX-IBGZPJMESA-N 1 2 356.401 2.551 20 30 FFEDLO Cn1cc[nH+]c1C[C@H](NC(=O)COc1ccccc1C#N)c1ccccc1 ZINC000081318846 508161862 /nfs/dbraw/zinc/16/18/62/508161862.db2.gz PFEMVBFKYFFPDS-SFHVURJKSA-N 1 2 360.417 2.771 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076182741 508166599 /nfs/dbraw/zinc/16/65/99/508166599.db2.gz YHGPTZKZHUARCL-FOGDFJRCSA-N 1 2 359.314 2.713 20 30 FFEDLO N#CC1CC[NH+]([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000113931099 508286368 /nfs/dbraw/zinc/28/63/68/508286368.db2.gz RAAWOZZZSWYLRF-HNNXBMFYSA-N 1 2 353.344 2.926 20 30 FFEDLO N#Cc1nnc2ccccc2c1N1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000077225169 508289820 /nfs/dbraw/zinc/28/98/20/508289820.db2.gz RUVMGVDXZINEEC-UHFFFAOYSA-N 1 2 364.840 2.872 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000115531869 508406078 /nfs/dbraw/zinc/40/60/78/508406078.db2.gz JYJXLFSQRKFEQO-LJQANCHMSA-N 1 2 368.868 2.556 20 30 FFEDLO N#Cc1ccc([C@H]([NH2+]Cc2cccnc2OC2CCCC2)C(N)=O)cc1 ZINC000115596903 508416486 /nfs/dbraw/zinc/41/64/86/508416486.db2.gz IMRZZFZKFDWUHG-SFHVURJKSA-N 1 2 350.422 2.591 20 30 FFEDLO FC(F)(F)Oc1ccc(C#CC[NH+]2CCC(c3nc[nH]n3)CC2)cc1 ZINC000156709772 508465771 /nfs/dbraw/zinc/46/57/71/508465771.db2.gz WCGBPGIZPSFTPN-UHFFFAOYSA-N 1 2 350.344 2.934 20 30 FFEDLO Cc1ccc([C@@H](CNC(=O)Cc2ccc(C#N)cc2)[NH+]2CCOCC2)cc1 ZINC000116453687 508516628 /nfs/dbraw/zinc/51/66/28/508516628.db2.gz KNDNFMZUPIMSPX-OAQYLSRUSA-N 1 2 363.461 2.599 20 30 FFEDLO C=CCCN(C)C(=O)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000410879819 512400210 /nfs/dbraw/zinc/40/02/10/512400210.db2.gz QQBYVZVCNDNDET-UHFFFAOYSA-N 1 2 374.872 2.600 20 30 FFEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CCN1CC(F)(F)F ZINC000128057183 508541889 /nfs/dbraw/zinc/54/18/89/508541889.db2.gz OEEDPRPOUYSEKW-LLVKDONJSA-N 1 2 360.405 2.517 20 30 FFEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCN1CC(F)(F)F ZINC000128057183 508541893 /nfs/dbraw/zinc/54/18/93/508541893.db2.gz OEEDPRPOUYSEKW-LLVKDONJSA-N 1 2 360.405 2.517 20 30 FFEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000153316542 508571311 /nfs/dbraw/zinc/57/13/11/508571311.db2.gz NOJMXYNSSMAFSD-QRWLVFNGSA-N 1 2 365.481 2.963 20 30 FFEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000153316542 508571313 /nfs/dbraw/zinc/57/13/13/508571313.db2.gz NOJMXYNSSMAFSD-QRWLVFNGSA-N 1 2 365.481 2.963 20 30 FFEDLO C[C@@H]1CCc2nc(C[NH+]3CCN(c4ncccc4C#N)CC3)sc2C1 ZINC000122937942 508609863 /nfs/dbraw/zinc/60/98/63/508609863.db2.gz HYJQHLWZRCPHSH-CQSZACIVSA-N 1 2 353.495 2.857 20 30 FFEDLO COc1ccc(C#N)cc1C[NH+]1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000157837950 508620149 /nfs/dbraw/zinc/62/01/49/508620149.db2.gz WZXGIAPQKXGPBZ-UHFFFAOYSA-N 1 2 363.461 2.762 20 30 FFEDLO Cc1cccn2cc(CNS(=O)(=O)c3ccc(Cl)cc3C#N)[nH+]c12 ZINC000128774388 508642021 /nfs/dbraw/zinc/64/20/21/508642021.db2.gz YLASCMLRHHSNTH-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000153852824 508662294 /nfs/dbraw/zinc/66/22/94/508662294.db2.gz WMHWTUHAPPBLAT-XMSQKQJNSA-N 1 2 374.488 2.847 20 30 FFEDLO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000153852613 508662636 /nfs/dbraw/zinc/66/26/36/508662636.db2.gz WMHWTUHAPPBLAT-GCJKJVERSA-N 1 2 374.488 2.847 20 30 FFEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000136920897 508724544 /nfs/dbraw/zinc/72/45/44/508724544.db2.gz DVOAKNDARHCBHB-ZDUSSCGKSA-N 1 2 368.403 2.614 20 30 FFEDLO CCc1nc(CN2CC[NH+](CCOc3ccccc3C#N)CC2)cs1 ZINC000154446170 508787013 /nfs/dbraw/zinc/78/70/13/508787013.db2.gz NSLGBVMYQDRAAN-UHFFFAOYSA-N 1 2 356.495 2.774 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2CCOC(C)(C)C2)CC1=O ZINC000124181440 508794033 /nfs/dbraw/zinc/79/40/33/508794033.db2.gz QQRWMPHLCDEONK-ZDUSSCGKSA-N 1 2 354.454 2.604 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](c2ccc(Cl)cc2)c2cnccn2)C1=O ZINC000375608793 512419416 /nfs/dbraw/zinc/41/94/16/512419416.db2.gz UBMCLKGWWUXSHT-QZTJIDSGSA-N 1 2 356.857 2.938 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](c2ccc(Cl)cc2)c2cnccn2)C1=O ZINC000375608793 512419419 /nfs/dbraw/zinc/41/94/19/512419419.db2.gz UBMCLKGWWUXSHT-QZTJIDSGSA-N 1 2 356.857 2.938 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c(C)o1 ZINC000143322534 508830442 /nfs/dbraw/zinc/83/04/42/508830442.db2.gz SZKXWTUCJXHQIL-UHFFFAOYSA-N 1 2 357.385 2.708 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000143857994 508834831 /nfs/dbraw/zinc/83/48/31/508834831.db2.gz UDCYABARBOBBSX-UHFFFAOYSA-N 1 2 374.491 2.514 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000154892277 508877206 /nfs/dbraw/zinc/87/72/06/508877206.db2.gz IFUYAFFRAPTCCA-IBGZPJMESA-N 1 2 369.490 2.908 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000154892277 508877210 /nfs/dbraw/zinc/87/72/10/508877210.db2.gz IFUYAFFRAPTCCA-IBGZPJMESA-N 1 2 369.490 2.908 20 30 FFEDLO CCc1nnc(N2CCC[N@H+](Cc3cscn3)CC2)c(C#N)c1CC ZINC000124865666 508897004 /nfs/dbraw/zinc/89/70/04/508897004.db2.gz WOQDLOFBCAJRFI-UHFFFAOYSA-N 1 2 356.499 2.642 20 30 FFEDLO CCc1nnc(N2CCC[N@@H+](Cc3cscn3)CC2)c(C#N)c1CC ZINC000124865666 508897008 /nfs/dbraw/zinc/89/70/08/508897008.db2.gz WOQDLOFBCAJRFI-UHFFFAOYSA-N 1 2 356.499 2.642 20 30 FFEDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000159873751 508903945 /nfs/dbraw/zinc/90/39/45/508903945.db2.gz SLCLDOYNQTXJNM-LBPRGKRZSA-N 1 2 353.875 2.604 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](CC(N)=O)C(C)(C)C)c1C#N ZINC000131317695 508914817 /nfs/dbraw/zinc/91/48/17/508914817.db2.gz KJESYCSRCBIQBO-UHFFFAOYSA-N 1 2 373.501 2.616 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](CC(N)=O)C(C)(C)C)c1C#N ZINC000131317695 508914819 /nfs/dbraw/zinc/91/48/19/508914819.db2.gz KJESYCSRCBIQBO-UHFFFAOYSA-N 1 2 373.501 2.616 20 30 FFEDLO N#Cc1cc(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)ccc1OC(F)(F)F ZINC000377746042 512430415 /nfs/dbraw/zinc/43/04/15/512430415.db2.gz OZBNZRXTQRZMDL-NSHDSACASA-N 1 2 365.315 2.859 20 30 FFEDLO N#Cc1cc(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)ccc1OC(F)(F)F ZINC000377746042 512430420 /nfs/dbraw/zinc/43/04/20/512430420.db2.gz OZBNZRXTQRZMDL-NSHDSACASA-N 1 2 365.315 2.859 20 30 FFEDLO Cc1cc(C(=O)N2CC[NH+](CCCOc3cccc(C#N)c3)CC2)c(C)o1 ZINC000155698815 509055152 /nfs/dbraw/zinc/05/51/52/509055152.db2.gz GQHOHWKDWJDXSF-UHFFFAOYSA-N 1 2 367.449 2.995 20 30 FFEDLO COc1cc(C#N)ccc1C[NH+]1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000120786895 509064109 /nfs/dbraw/zinc/06/41/09/509064109.db2.gz KIWPFIRODLWKKH-UHFFFAOYSA-N 1 2 363.461 2.762 20 30 FFEDLO C[C@@H](c1nnc(Sc2cnc(C#N)cn2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000120986203 509103425 /nfs/dbraw/zinc/10/34/25/509103425.db2.gz VBYNREDFWSHMSC-NSHDSACASA-N 1 2 369.429 2.842 20 30 FFEDLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000121147738 509138425 /nfs/dbraw/zinc/13/84/25/509138425.db2.gz XQOTURJEORGVLS-AZUAARDMSA-N 1 2 354.498 2.660 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc2c1OCO2 ZINC000126914892 509146912 /nfs/dbraw/zinc/14/69/12/509146912.db2.gz PLAYXESHRLZDRG-UHFFFAOYSA-N 1 2 351.406 2.618 20 30 FFEDLO N#CCOc1cccc(NC(=O)c2ccccc2C[NH+]2CCOCC2)c1 ZINC000266867729 509232341 /nfs/dbraw/zinc/23/23/41/509232341.db2.gz WTJVQASYZJICNW-UHFFFAOYSA-N 1 2 351.406 2.673 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1cc(Cl)ccc1Cl ZINC000162521671 509242908 /nfs/dbraw/zinc/24/29/08/509242908.db2.gz BWMPVMXNCCPMFO-UHFFFAOYSA-N 1 2 370.280 2.610 20 30 FFEDLO Cc1cccn2cc(CNS(=O)(=O)c3cc(C#N)ccc3Cl)[nH+]c12 ZINC000185580015 509248389 /nfs/dbraw/zinc/24/83/89/509248389.db2.gz NRHIRRJQLDUTSU-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)CS[C@H](C)c2nc3ccccc3[nH]2)CC1 ZINC000266917471 509257262 /nfs/dbraw/zinc/25/72/62/509257262.db2.gz JEQYGBVRBIXRLY-OAHLLOKOSA-N 1 2 356.495 2.525 20 30 FFEDLO C[C@@H](c1nccs1)N1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000185609815 509263735 /nfs/dbraw/zinc/26/37/35/509263735.db2.gz IDSKADJSZOGSIY-AWEZNQCLSA-N 1 2 352.467 2.541 20 30 FFEDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000188910394 509320341 /nfs/dbraw/zinc/32/03/41/509320341.db2.gz XFTRLQNPLKKWTN-LJQANCHMSA-N 1 2 365.481 2.810 20 30 FFEDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000188910394 509320348 /nfs/dbraw/zinc/32/03/48/509320348.db2.gz XFTRLQNPLKKWTN-LJQANCHMSA-N 1 2 365.481 2.810 20 30 FFEDLO C=CC[C@@H](CO)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000185809115 509365502 /nfs/dbraw/zinc/36/55/02/509365502.db2.gz CNPRXNWQTAOSMR-HOTGVXAUSA-N 1 2 367.287 2.639 20 30 FFEDLO CCc1ccc(C(=O)N2CCN(Cc3c[nH+]c4ccc(C#N)cn34)CC2)cc1 ZINC000179329006 509378783 /nfs/dbraw/zinc/37/87/83/509378783.db2.gz IZUSITPMCYNCHB-UHFFFAOYSA-N 1 2 373.460 2.726 20 30 FFEDLO CO/N=C/c1ccc(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000264232382 509399146 /nfs/dbraw/zinc/39/91/46/509399146.db2.gz YCDVAWOKHAVJND-ZVBGSRNCSA-N 1 2 354.332 2.698 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000173219996 509463140 /nfs/dbraw/zinc/46/31/40/509463140.db2.gz HJINMVKKBRMDON-DTWKUNHWSA-N 1 2 364.393 2.603 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccn(CCC#N)n1)c1cccc(F)c1 ZINC000173340397 509540572 /nfs/dbraw/zinc/54/05/72/509540572.db2.gz NQCGXQZVMCUZEA-INIZCTEOSA-N 1 2 367.388 2.580 20 30 FFEDLO N#Cc1ccc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000267913713 509666960 /nfs/dbraw/zinc/66/69/60/509666960.db2.gz GTCDQXANPWWMSZ-SFHVURJKSA-N 1 2 352.394 2.952 20 30 FFEDLO C=C(C)CN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000183418411 509776864 /nfs/dbraw/zinc/77/68/64/509776864.db2.gz QMSYKJXTZSSYBM-IRXDYDNUSA-N 1 2 351.878 2.929 20 30 FFEDLO C=C(C)CN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000183418411 509776867 /nfs/dbraw/zinc/77/68/67/509776867.db2.gz QMSYKJXTZSSYBM-IRXDYDNUSA-N 1 2 351.878 2.929 20 30 FFEDLO CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@H](C)CS(=O)(=O)CC ZINC000180156421 509783665 /nfs/dbraw/zinc/78/36/65/509783665.db2.gz FUDKKXBAJYSBQJ-OAHLLOKOSA-N 1 2 374.510 2.604 20 30 FFEDLO CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@H](C)CS(=O)(=O)CC ZINC000180156421 509783673 /nfs/dbraw/zinc/78/36/73/509783673.db2.gz FUDKKXBAJYSBQJ-OAHLLOKOSA-N 1 2 374.510 2.604 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(F)c(O)c(F)c3)CC2)cc1 ZINC000176988368 509802666 /nfs/dbraw/zinc/80/26/66/509802666.db2.gz XCGWABCMGMNIKP-UHFFFAOYSA-N 1 2 371.387 2.890 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(F)c(O)c(F)c3)CC2)cc1 ZINC000176988368 509802673 /nfs/dbraw/zinc/80/26/73/509802673.db2.gz XCGWABCMGMNIKP-UHFFFAOYSA-N 1 2 371.387 2.890 20 30 FFEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170837389 509803933 /nfs/dbraw/zinc/80/39/33/509803933.db2.gz IGNFIRRPEJGJLJ-UHFFFAOYSA-N 1 2 361.486 2.504 20 30 FFEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170837389 509803943 /nfs/dbraw/zinc/80/39/43/509803943.db2.gz IGNFIRRPEJGJLJ-UHFFFAOYSA-N 1 2 361.486 2.504 20 30 FFEDLO C=CCCCCC[NH+]1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000193349514 509877392 /nfs/dbraw/zinc/87/73/92/509877392.db2.gz UNVYBRQASPLSQB-UHFFFAOYSA-N 1 2 364.511 2.594 20 30 FFEDLO Cc1cc(C[NH+]2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)on1 ZINC000265193144 509912954 /nfs/dbraw/zinc/91/29/54/509912954.db2.gz LIAILIKKYGCDOE-UHFFFAOYSA-N 1 2 351.332 2.591 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCc2nc([C@H](C)OCC(C)C)no2)cc1 ZINC000174115115 509954634 /nfs/dbraw/zinc/95/46/34/509954634.db2.gz PRYNQNRENKBRHH-ZDUSSCGKSA-N 1 2 362.430 2.843 20 30 FFEDLO CC(=Cc1c[nH+]c2ccc(Br)cn12)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193610360 509988494 /nfs/dbraw/zinc/98/84/94/509988494.db2.gz OEAOGDSPCLDNCX-WEVVVXLNSA-N 1 2 370.210 2.921 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000245562319 510008976 /nfs/dbraw/zinc/00/89/76/510008976.db2.gz CNBLKGSXQJUESJ-WBMJQRKESA-N 1 2 357.483 2.955 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(C#N)c1C ZINC000245562319 510008988 /nfs/dbraw/zinc/00/89/88/510008988.db2.gz CNBLKGSXQJUESJ-WBMJQRKESA-N 1 2 357.483 2.955 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(C#N)c1C ZINC000245562319 510008993 /nfs/dbraw/zinc/00/89/93/510008993.db2.gz CNBLKGSXQJUESJ-WBMJQRKESA-N 1 2 357.483 2.955 20 30 FFEDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)c1ccc(C#N)cc1 ZINC000177742333 510228936 /nfs/dbraw/zinc/22/89/36/510228936.db2.gz UIGTXUDWCNONBD-GOSISDBHSA-N 1 2 374.824 2.626 20 30 FFEDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)c1ccc(C#N)cc1 ZINC000177742333 510228945 /nfs/dbraw/zinc/22/89/45/510228945.db2.gz UIGTXUDWCNONBD-GOSISDBHSA-N 1 2 374.824 2.626 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](CCC#N)CC2CC2)c(OC)c1 ZINC000174695898 510257287 /nfs/dbraw/zinc/25/72/87/510257287.db2.gz RNHPUZTUFUAUJB-IBGZPJMESA-N 1 2 371.481 2.993 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](CCC#N)CC2CC2)c(OC)c1 ZINC000174695898 510257294 /nfs/dbraw/zinc/25/72/94/510257294.db2.gz RNHPUZTUFUAUJB-IBGZPJMESA-N 1 2 371.481 2.993 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000184421904 510317210 /nfs/dbraw/zinc/31/72/10/510317210.db2.gz QOGWFLSHLKTZQB-UHFFFAOYSA-N 1 2 364.405 2.880 20 30 FFEDLO Cc1ncc(C[NH+]2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)s1 ZINC000177909481 510321577 /nfs/dbraw/zinc/32/15/77/510321577.db2.gz VCAUCIFHLRCNSV-UHFFFAOYSA-N 1 2 359.430 2.812 20 30 FFEDLO N#Cc1ccc(F)c(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000174884720 510365370 /nfs/dbraw/zinc/36/53/70/510365370.db2.gz LCRQKMBPNDZLCQ-UHFFFAOYSA-N 1 2 353.401 2.692 20 30 FFEDLO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cccc(Cl)c3O)C2=O)cc1 ZINC000190837684 510366570 /nfs/dbraw/zinc/36/65/70/510366570.db2.gz JPBYIPVPDKGITM-KRWDZBQOSA-N 1 2 355.825 2.808 20 30 FFEDLO N#CCCCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000171847873 510407206 /nfs/dbraw/zinc/40/72/06/510407206.db2.gz DTVYURFVZRPANS-CQSZACIVSA-N 1 2 350.413 2.922 20 30 FFEDLO N#CCCCCNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000171847873 510407212 /nfs/dbraw/zinc/40/72/12/510407212.db2.gz DTVYURFVZRPANS-CQSZACIVSA-N 1 2 350.413 2.922 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000187887788 510489106 /nfs/dbraw/zinc/48/91/06/510489106.db2.gz BBGKGTCTPMCKFR-INIZCTEOSA-N 1 2 353.825 2.615 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000187887788 510489112 /nfs/dbraw/zinc/48/91/12/510489112.db2.gz BBGKGTCTPMCKFR-INIZCTEOSA-N 1 2 353.825 2.615 20 30 FFEDLO O=C(/C=C/c1cc(O)cc(F)c1)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000184754135 510501525 /nfs/dbraw/zinc/50/15/25/510501525.db2.gz MLKCCJTUERPWLE-HNQUOIGGSA-N 1 2 357.381 2.965 20 30 FFEDLO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000194861179 510562320 /nfs/dbraw/zinc/56/23/20/510562320.db2.gz LRCVEMGFVWKENT-PXNSSMCTSA-N 1 2 358.438 2.684 20 30 FFEDLO CCOC(=O)[C@@]1(C(C)C)CC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000194861179 510562327 /nfs/dbraw/zinc/56/23/27/510562327.db2.gz LRCVEMGFVWKENT-PXNSSMCTSA-N 1 2 358.438 2.684 20 30 FFEDLO CCN(C)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cn1 ZINC000191283261 510587202 /nfs/dbraw/zinc/58/72/02/510587202.db2.gz BTLQKCCKZOGVIX-UHFFFAOYSA-N 1 2 353.445 2.871 20 30 FFEDLO COCC[N@H+](CC(=O)N1c2ccccc2C[C@H]1C)Cc1ccc(C#N)cc1 ZINC000195001914 510627508 /nfs/dbraw/zinc/62/75/08/510627508.db2.gz FAKVMKDOHMINEF-QGZVFWFLSA-N 1 2 363.461 2.984 20 30 FFEDLO COCC[N@@H+](CC(=O)N1c2ccccc2C[C@H]1C)Cc1ccc(C#N)cc1 ZINC000195001914 510627511 /nfs/dbraw/zinc/62/75/11/510627511.db2.gz FAKVMKDOHMINEF-QGZVFWFLSA-N 1 2 363.461 2.984 20 30 FFEDLO Cc1nc(N2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)cc[nH+]1 ZINC000185052497 510657315 /nfs/dbraw/zinc/65/73/15/510657315.db2.gz DTUBQFHQCIUPJX-GOSISDBHSA-N 1 2 364.453 2.662 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000246840247 510702644 /nfs/dbraw/zinc/70/26/44/510702644.db2.gz BQQUGPFLWNAERW-DLUDVSRJSA-N 1 2 355.463 2.755 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000246840247 510702650 /nfs/dbraw/zinc/70/26/50/510702650.db2.gz BQQUGPFLWNAERW-DLUDVSRJSA-N 1 2 355.463 2.755 20 30 FFEDLO C#CCC(C)(C)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000185298342 510795619 /nfs/dbraw/zinc/79/56/19/510795619.db2.gz CUTUYOWEXSNXRZ-UHFFFAOYSA-N 1 2 358.873 2.681 20 30 FFEDLO Cn1cc([C@H]([NH2+]CC(=O)Nc2sccc2C#N)c2ccc(F)cc2)cn1 ZINC000185419571 510840714 /nfs/dbraw/zinc/84/07/14/510840714.db2.gz GWOUKEGIRHBKMS-QGZVFWFLSA-N 1 2 369.425 2.810 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000247691879 510868693 /nfs/dbraw/zinc/86/86/93/510868693.db2.gz WJALCNGVZLVIPE-UHFFFAOYSA-N 1 2 370.840 2.700 20 30 FFEDLO C[C@@H]1CCC[C@@H](CNC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)C1 ZINC000329910007 510875677 /nfs/dbraw/zinc/87/56/77/510875677.db2.gz MXCVJIWNPYRLHP-LMSBXDPUSA-N 1 2 365.497 2.662 20 30 FFEDLO C[C@@H]1CCC[C@@H](CNC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)C1 ZINC000329910007 510875681 /nfs/dbraw/zinc/87/56/81/510875681.db2.gz MXCVJIWNPYRLHP-LMSBXDPUSA-N 1 2 365.497 2.662 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)N[C@H](c2ccccc2)C2CC2)CCN1C ZINC000329950873 510886361 /nfs/dbraw/zinc/88/63/61/510886361.db2.gz IALVIAARKUREIP-QZTJIDSGSA-N 1 2 353.470 2.774 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329966817 510888206 /nfs/dbraw/zinc/88/82/06/510888206.db2.gz VEBLLJBGSAGBMM-OIISXLGYSA-N 1 2 360.458 2.984 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329966817 510888216 /nfs/dbraw/zinc/88/82/16/510888216.db2.gz VEBLLJBGSAGBMM-OIISXLGYSA-N 1 2 360.458 2.984 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000329966817 510888221 /nfs/dbraw/zinc/88/82/21/510888221.db2.gz VEBLLJBGSAGBMM-OIISXLGYSA-N 1 2 360.458 2.984 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000329966817 510888229 /nfs/dbraw/zinc/88/82/29/510888229.db2.gz VEBLLJBGSAGBMM-OIISXLGYSA-N 1 2 360.458 2.984 20 30 FFEDLO C=CCn1c(CC2CCCC2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000282213201 510889071 /nfs/dbraw/zinc/88/90/71/510889071.db2.gz IAIYSRRVYMJDHA-UHFFFAOYSA-N 1 2 370.501 2.815 20 30 FFEDLO CCN1CCN(C(=O)NCCc2cc(C)cc(C)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329999187 510897109 /nfs/dbraw/zinc/89/71/09/510897109.db2.gz UHSFTBBXQACTGK-SFHVURJKSA-N 1 2 355.486 2.862 20 30 FFEDLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000330047206 510906189 /nfs/dbraw/zinc/90/61/89/510906189.db2.gz JEXDLBZBTYMALE-QWHCGFSZSA-N 1 2 356.426 2.993 20 30 FFEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330097435 510915622 /nfs/dbraw/zinc/91/56/22/510915622.db2.gz ASAJCDUUJUNNPN-CLCXKQKWSA-N 1 2 367.490 2.848 20 30 FFEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330097435 510915625 /nfs/dbraw/zinc/91/56/25/510915625.db2.gz ASAJCDUUJUNNPN-CLCXKQKWSA-N 1 2 367.490 2.848 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000282298899 510920924 /nfs/dbraw/zinc/92/09/24/510920924.db2.gz RDMQTECKFRHQTD-AOCRQIFASA-N 1 2 355.486 2.800 20 30 FFEDLO C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330133838 510923116 /nfs/dbraw/zinc/92/31/16/510923116.db2.gz RLAROWYFIBUFPD-SPYBWZPUSA-N 1 2 350.434 2.941 20 30 FFEDLO C[C@H](C(=O)NCc1ccccc1F)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330133838 510923121 /nfs/dbraw/zinc/92/31/21/510923121.db2.gz RLAROWYFIBUFPD-SPYBWZPUSA-N 1 2 350.434 2.941 20 30 FFEDLO Cn1c2ccc(NC(=O)c3cn([C@H]4CCOC4)nn3)cc2[nH+]c1C1CC1 ZINC000330165387 510928197 /nfs/dbraw/zinc/92/81/97/510928197.db2.gz UMAQEXSEJUKJPP-ZDUSSCGKSA-N 1 2 352.398 2.640 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)C1=O ZINC000285505786 510934158 /nfs/dbraw/zinc/93/41/58/510934158.db2.gz JMELZRJDVLGNFI-WFASDCNBSA-N 1 2 373.400 2.504 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)C1=O ZINC000285505786 510934160 /nfs/dbraw/zinc/93/41/60/510934160.db2.gz JMELZRJDVLGNFI-WFASDCNBSA-N 1 2 373.400 2.504 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000276452465 510938480 /nfs/dbraw/zinc/93/84/80/510938480.db2.gz XTSSVUFOWOUSHU-AEFFLSMTSA-N 1 2 350.422 2.625 20 30 FFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cc(N(C)C)ncn2)CC1 ZINC000330246748 510946707 /nfs/dbraw/zinc/94/67/07/510946707.db2.gz LKXJAHLQZGKMLW-ZDUSSCGKSA-N 1 2 360.487 2.528 20 30 FFEDLO Cc1nc([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)ccc1Br ZINC000330247348 510946840 /nfs/dbraw/zinc/94/68/40/510946840.db2.gz LQXDWACPHXSOJQ-JTQLQIEISA-N 1 2 350.220 2.690 20 30 FFEDLO Cc1nc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)ccc1Br ZINC000330247348 510946843 /nfs/dbraw/zinc/94/68/43/510946843.db2.gz LQXDWACPHXSOJQ-JTQLQIEISA-N 1 2 350.220 2.690 20 30 FFEDLO CC[C@]1(CO)CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000330282560 510957062 /nfs/dbraw/zinc/95/70/62/510957062.db2.gz VLOAUYUJZQSRCB-QRWLVFNGSA-N 1 2 362.518 2.894 20 30 FFEDLO CC(C)N(C)c1cccc(NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c1 ZINC000330286295 510958497 /nfs/dbraw/zinc/95/84/97/510958497.db2.gz AHWQPOSSPZYDCJ-SFHVURJKSA-N 1 2 370.501 2.799 20 30 FFEDLO C=CCn1c(-c2ccccc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000282404162 510963035 /nfs/dbraw/zinc/96/30/35/510963035.db2.gz WUAUETJLNKIUBK-UHFFFAOYSA-N 1 2 361.453 2.556 20 30 FFEDLO CCN1CCN(C(=O)N[C@@H]2CCc3ccccc3C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330324995 510964321 /nfs/dbraw/zinc/96/43/21/510964321.db2.gz IXUJOUKWCHTGOU-MSOLQXFVSA-N 1 2 353.470 2.560 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)CCO1 ZINC000330340286 510969910 /nfs/dbraw/zinc/96/99/10/510969910.db2.gz XSBRAJKKPDDSOE-GUTXKFCHSA-N 1 2 374.407 2.871 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)cc1OCCCC#N ZINC000277744204 510970933 /nfs/dbraw/zinc/97/09/33/510970933.db2.gz UPJWDFBMBUOTTH-OWJWWREXSA-N 1 2 350.484 2.721 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)cc1OCCCC#N ZINC000277744204 510970936 /nfs/dbraw/zinc/97/09/36/510970936.db2.gz UPJWDFBMBUOTTH-OWJWWREXSA-N 1 2 350.484 2.721 20 30 FFEDLO CC(C)c1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000278690767 511003469 /nfs/dbraw/zinc/00/34/69/511003469.db2.gz SGDKJTIVRWTNHT-FUHWJXTLSA-N 1 2 361.511 2.809 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2nc(C)no2)c(OC)c1 ZINC000285881263 511016727 /nfs/dbraw/zinc/01/67/27/511016727.db2.gz ZNCBEYAUGIHLLB-IAGOWNOFSA-N 1 2 373.453 2.692 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2nc(C)no2)c(OC)c1 ZINC000285881263 511016730 /nfs/dbraw/zinc/01/67/30/511016730.db2.gz ZNCBEYAUGIHLLB-IAGOWNOFSA-N 1 2 373.453 2.692 20 30 FFEDLO CSc1nc(C(C)C)nc(C)c1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000331033876 511038572 /nfs/dbraw/zinc/03/85/72/511038572.db2.gz KDGXOYJVVZFMMX-GFCCVEGCSA-N 1 2 352.504 2.656 20 30 FFEDLO CSc1nc(C(C)C)nc(C)c1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000331033876 511038577 /nfs/dbraw/zinc/03/85/77/511038577.db2.gz KDGXOYJVVZFMMX-GFCCVEGCSA-N 1 2 352.504 2.656 20 30 FFEDLO C[C@H]([C@H](C)NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[NH+]1CCOCC1 ZINC000361450961 511052035 /nfs/dbraw/zinc/05/20/35/511052035.db2.gz QUGXLDSIFLAADC-KVPLUYHFSA-N 1 2 370.497 2.577 20 30 FFEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@]2(CCOC2)O1 ZINC000331482376 511066158 /nfs/dbraw/zinc/06/61/58/511066158.db2.gz GLWIDHPARFIHRH-QFUCXCTJSA-N 1 2 371.481 2.592 20 30 FFEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@]2(CCOC2)O1 ZINC000331482376 511066163 /nfs/dbraw/zinc/06/61/63/511066163.db2.gz GLWIDHPARFIHRH-QFUCXCTJSA-N 1 2 371.481 2.592 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1cccc(Br)c1 ZINC000331721988 511071686 /nfs/dbraw/zinc/07/16/86/511071686.db2.gz JTEBSEYXBLAWIV-TZMCWYRMSA-N 1 2 359.227 2.973 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21)c1cccc(Br)c1 ZINC000331721988 511071689 /nfs/dbraw/zinc/07/16/89/511071689.db2.gz JTEBSEYXBLAWIV-TZMCWYRMSA-N 1 2 359.227 2.973 20 30 FFEDLO CC(C)[C@@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)c1ccc2c(c1)OCCO2 ZINC000332046097 511076158 /nfs/dbraw/zinc/07/61/58/511076158.db2.gz SCTVQXKAMZYJIK-HXUWFJFHSA-N 1 2 371.481 2.897 20 30 FFEDLO COc1cncc(CO[NH+]=C(N)c2cc(Cl)c(OC)c(OC)c2)c1 ZINC000288743792 511084291 /nfs/dbraw/zinc/08/42/91/511084291.db2.gz XMUCGUBYZFPEAY-UHFFFAOYSA-N 1 2 351.790 2.598 20 30 FFEDLO C=CCC[C@H](NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000289346130 511098273 /nfs/dbraw/zinc/09/82/73/511098273.db2.gz KXOQSVLBLKPDCV-MSOLQXFVSA-N 1 2 366.465 2.939 20 30 FFEDLO COCCc1noc(C[N@H+](C)Cc2ccc(OC)c(OCCCC#N)c2)n1 ZINC000271208932 511122067 /nfs/dbraw/zinc/12/20/67/511122067.db2.gz TUSZIFMFSIWDNQ-UHFFFAOYSA-N 1 2 374.441 2.582 20 30 FFEDLO COCCc1noc(C[N@@H+](C)Cc2ccc(OC)c(OCCCC#N)c2)n1 ZINC000271208932 511122071 /nfs/dbraw/zinc/12/20/71/511122071.db2.gz TUSZIFMFSIWDNQ-UHFFFAOYSA-N 1 2 374.441 2.582 20 30 FFEDLO N#Cc1c(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)n[nH]c1C1CC1 ZINC000290512694 511142874 /nfs/dbraw/zinc/14/28/74/511142874.db2.gz NKONSOWILPANHZ-INIZCTEOSA-N 1 2 353.401 2.901 20 30 FFEDLO N#Cc1c(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n[nH]c1C1CC1 ZINC000290512694 511142882 /nfs/dbraw/zinc/14/28/82/511142882.db2.gz NKONSOWILPANHZ-INIZCTEOSA-N 1 2 353.401 2.901 20 30 FFEDLO C=CC[C@]1(C(=O)N2CCn3c[nH+]cc3C2)CCCN1C(=O)OC(C)(C)C ZINC000290990305 511157102 /nfs/dbraw/zinc/15/71/02/511157102.db2.gz XGBFSPNJVIXUHE-LJQANCHMSA-N 1 2 360.458 2.571 20 30 FFEDLO N#CC1CCC(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000283047381 511213469 /nfs/dbraw/zinc/21/34/69/511213469.db2.gz QSLQFGLHDCICJI-AFMYVXGZSA-N 1 2 370.497 2.517 20 30 FFEDLO N#CC1CCC(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000283047381 511213476 /nfs/dbraw/zinc/21/34/76/511213476.db2.gz QSLQFGLHDCICJI-AFMYVXGZSA-N 1 2 370.497 2.517 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)n1 ZINC000279824945 511230909 /nfs/dbraw/zinc/23/09/09/511230909.db2.gz YXQUJWLMMOHBHS-INIZCTEOSA-N 1 2 356.445 2.524 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)n1 ZINC000279824945 511230915 /nfs/dbraw/zinc/23/09/15/511230915.db2.gz YXQUJWLMMOHBHS-INIZCTEOSA-N 1 2 356.445 2.524 20 30 FFEDLO C=C(C)Cn1c(C2CC2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000283247490 511292827 /nfs/dbraw/zinc/29/28/27/511292827.db2.gz LDQGJELDZGNDIQ-UHFFFAOYSA-N 1 2 358.515 2.819 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000291722472 511310356 /nfs/dbraw/zinc/31/03/56/511310356.db2.gz JCOFFHQVSRTAEP-HOTGVXAUSA-N 1 2 365.424 2.580 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000291722472 511310362 /nfs/dbraw/zinc/31/03/62/511310362.db2.gz JCOFFHQVSRTAEP-HOTGVXAUSA-N 1 2 365.424 2.580 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1(C)C ZINC000295199794 511319307 /nfs/dbraw/zinc/31/93/07/511319307.db2.gz FCJTZIFRNNZHNG-AWEZNQCLSA-N 1 2 364.858 2.717 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000365262347 511349606 /nfs/dbraw/zinc/34/96/06/511349606.db2.gz AQJIOSWFFUNMND-UHFFFAOYSA-N 1 2 367.453 2.799 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1 ZINC000363107409 511357583 /nfs/dbraw/zinc/35/75/83/511357583.db2.gz HFLPOTJWNIBHHV-JOCHJYFZSA-N 1 2 356.429 2.949 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000365380863 511415411 /nfs/dbraw/zinc/41/54/11/511415411.db2.gz OAMJWBZAWAILDW-UHFFFAOYSA-N 1 2 359.861 2.570 20 30 FFEDLO C=CCn1c(C2CC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000283574584 511420509 /nfs/dbraw/zinc/42/05/09/511420509.db2.gz RPWHIFGPIIDPLS-UHFFFAOYSA-N 1 2 367.501 2.890 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cc1 ZINC000280448322 511469789 /nfs/dbraw/zinc/46/97/89/511469789.db2.gz NMNZIAIPUDPOED-WAOWUJCRSA-N 1 2 371.481 2.510 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cc1 ZINC000280448322 511469792 /nfs/dbraw/zinc/46/97/92/511469792.db2.gz NMNZIAIPUDPOED-WAOWUJCRSA-N 1 2 371.481 2.510 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nc(-c4cccs4)no3)C2)nc1 ZINC000292165905 511490615 /nfs/dbraw/zinc/49/06/15/511490615.db2.gz LLIUHDAMIJBSOT-ZDUSSCGKSA-N 1 2 353.407 2.718 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nc(-c4cccs4)no3)C2)nc1 ZINC000292165905 511490620 /nfs/dbraw/zinc/49/06/20/511490620.db2.gz LLIUHDAMIJBSOT-ZDUSSCGKSA-N 1 2 353.407 2.718 20 30 FFEDLO CC1(C#N)CCN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC1 ZINC000272642913 511502690 /nfs/dbraw/zinc/50/26/90/511502690.db2.gz ZMVPSEIQICOWQV-UHFFFAOYSA-N 1 2 351.454 2.961 20 30 FFEDLO Cc1cc(-c2noc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C3CC3)n2)ccc1F ZINC000273310237 511522017 /nfs/dbraw/zinc/52/20/17/511522017.db2.gz MXNDBJDCUGLTSW-CWTRNNRKSA-N 1 2 371.416 2.643 20 30 FFEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000273271893 511522186 /nfs/dbraw/zinc/52/21/86/511522186.db2.gz GLVBFDMCLQAECN-AWEZNQCLSA-N 1 2 356.426 2.596 20 30 FFEDLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292261755 511527884 /nfs/dbraw/zinc/52/78/84/511527884.db2.gz RMKOAMUDCAFVKO-UKRRQHHQSA-N 1 2 361.405 2.554 20 30 FFEDLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292261755 511527887 /nfs/dbraw/zinc/52/78/87/511527887.db2.gz RMKOAMUDCAFVKO-UKRRQHHQSA-N 1 2 361.405 2.554 20 30 FFEDLO CCc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292290875 511539216 /nfs/dbraw/zinc/53/92/16/511539216.db2.gz UEXMUSDSEVWZMY-SFHVURJKSA-N 1 2 364.449 2.916 20 30 FFEDLO CCc1cccc(C)c1NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292290875 511539220 /nfs/dbraw/zinc/53/92/20/511539220.db2.gz UEXMUSDSEVWZMY-SFHVURJKSA-N 1 2 364.449 2.916 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1(C)C ZINC000295913662 511553504 /nfs/dbraw/zinc/55/35/04/511553504.db2.gz OGADZCLQUYONND-ZDUSSCGKSA-N 1 2 363.343 2.929 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cc(C#N)oc3C)CC2)cc1 ZINC000280659328 511553601 /nfs/dbraw/zinc/55/36/01/511553601.db2.gz XDKNLEGIGDEUDH-UHFFFAOYSA-N 1 2 353.422 2.816 20 30 FFEDLO Cn1c(Cl)cnc1/C=C/C(=O)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000296000098 511585070 /nfs/dbraw/zinc/58/50/70/511585070.db2.gz SLDPKULXGDWHQB-SNAWJCMRSA-N 1 2 361.829 2.507 20 30 FFEDLO Cc1ccnc(-c2noc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2)c1 ZINC000296233000 511666002 /nfs/dbraw/zinc/66/60/02/511666002.db2.gz DYLAXJCLYDVHFE-UHFFFAOYSA-N 1 2 374.448 2.630 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC000365855079 511688494 /nfs/dbraw/zinc/68/84/94/511688494.db2.gz GODICCNARKCPQL-UHFFFAOYSA-N 1 2 373.453 2.767 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000281014663 511688852 /nfs/dbraw/zinc/68/88/52/511688852.db2.gz NWQQVADWWMEFNN-QAPCUYQASA-N 1 2 350.422 2.571 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000281014663 511688857 /nfs/dbraw/zinc/68/88/57/511688857.db2.gz NWQQVADWWMEFNN-QAPCUYQASA-N 1 2 350.422 2.571 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)c2nc(-c3ccc(OC)cc3)no2)C1=O ZINC000281275848 511785557 /nfs/dbraw/zinc/78/55/57/511785557.db2.gz IFRQNPZQKHSIBH-BBRMVZONSA-N 1 2 356.426 2.525 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2nc(-c3ccc(OC)cc3)no2)C1=O ZINC000281275848 511785561 /nfs/dbraw/zinc/78/55/61/511785561.db2.gz IFRQNPZQKHSIBH-BBRMVZONSA-N 1 2 356.426 2.525 20 30 FFEDLO COC(=O)c1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)n(C)c1C ZINC000366031582 511797071 /nfs/dbraw/zinc/79/70/71/511797071.db2.gz NRGRXVPUNDXAMV-IBGZPJMESA-N 1 2 353.422 2.565 20 30 FFEDLO COC(=O)c1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)n(C)c1C ZINC000366031582 511797077 /nfs/dbraw/zinc/79/70/77/511797077.db2.gz NRGRXVPUNDXAMV-IBGZPJMESA-N 1 2 353.422 2.565 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2Cl)C1=O ZINC000281306395 511798278 /nfs/dbraw/zinc/79/82/78/511798278.db2.gz KHFGFBKSLDDDRA-AWEZNQCLSA-N 1 2 356.253 2.651 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2Cl)C1=O ZINC000281306395 511798282 /nfs/dbraw/zinc/79/82/82/511798282.db2.gz KHFGFBKSLDDDRA-AWEZNQCLSA-N 1 2 356.253 2.651 20 30 FFEDLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)c1ccnc(C#N)c1)CC2 ZINC000281472234 511860151 /nfs/dbraw/zinc/86/01/51/511860151.db2.gz DNWJGWLWTWJPNI-INIZCTEOSA-N 1 2 367.478 2.536 20 30 FFEDLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)c1ccnc(C#N)c1)CC2 ZINC000281472234 511860158 /nfs/dbraw/zinc/86/01/58/511860158.db2.gz DNWJGWLWTWJPNI-INIZCTEOSA-N 1 2 367.478 2.536 20 30 FFEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328711603 511918896 /nfs/dbraw/zinc/91/88/96/511918896.db2.gz BGFIMGUAMMPUCO-MRXNPFEDSA-N 1 2 353.426 2.918 20 30 FFEDLO O=C(Cc1ccc(Cl)s1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000328761675 511927652 /nfs/dbraw/zinc/92/76/52/511927652.db2.gz YESBARPQQRZSNR-UHFFFAOYSA-N 1 2 369.918 2.845 20 30 FFEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1cnc([C@@H]2CCCO2)s1 ZINC000328889193 511946625 /nfs/dbraw/zinc/94/66/25/511946625.db2.gz QHMBSWIYZKCVGJ-AWEZNQCLSA-N 1 2 374.466 2.731 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)Nc3cc(F)cc(F)c3)CC[C@@H]21 ZINC000328984277 511960628 /nfs/dbraw/zinc/96/06/28/511960628.db2.gz SSTJUXQYZFQMHK-CABCVRRESA-N 1 2 352.385 2.634 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)Nc3cc(F)cc(F)c3)CC[C@@H]21 ZINC000328984277 511960635 /nfs/dbraw/zinc/96/06/35/511960635.db2.gz SSTJUXQYZFQMHK-CABCVRRESA-N 1 2 352.385 2.634 20 30 FFEDLO COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000328995166 511963764 /nfs/dbraw/zinc/96/37/64/511963764.db2.gz FENHYHMVIUBFGT-BMFZPTHFSA-N 1 2 360.458 2.753 20 30 FFEDLO COc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000328995166 511963769 /nfs/dbraw/zinc/96/37/69/511963769.db2.gz FENHYHMVIUBFGT-BMFZPTHFSA-N 1 2 360.458 2.753 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)c2ccc(F)c(F)c2)CCC(=O)N1C1CC1 ZINC000329024729 511969642 /nfs/dbraw/zinc/96/96/42/511969642.db2.gz NLOAJMXOXKWKTQ-CRAIPNDOSA-N 1 2 374.391 2.898 20 30 FFEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329075771 511978246 /nfs/dbraw/zinc/97/82/46/511978246.db2.gz PSQJWDSGMVXIDH-AUUYWEPGSA-N 1 2 368.424 2.734 20 30 FFEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329075771 511978252 /nfs/dbraw/zinc/97/82/52/511978252.db2.gz PSQJWDSGMVXIDH-AUUYWEPGSA-N 1 2 368.424 2.734 20 30 FFEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC(C(C)(C)O)C3)n2)C1 ZINC000329168153 511997288 /nfs/dbraw/zinc/99/72/88/511997288.db2.gz IYIRLVZJPLIWBT-LBPRGKRZSA-N 1 2 352.504 2.623 20 30 FFEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC(C(C)(C)O)C3)n2)C1 ZINC000329168153 511997293 /nfs/dbraw/zinc/99/72/93/511997293.db2.gz IYIRLVZJPLIWBT-LBPRGKRZSA-N 1 2 352.504 2.623 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C[C@H](C)O1 ZINC000329305515 512024030 /nfs/dbraw/zinc/02/40/30/512024030.db2.gz AUPZYEXSCRXTKZ-BHZSWEIISA-N 1 2 373.497 2.544 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C[C@H](C)O1 ZINC000329305515 512024032 /nfs/dbraw/zinc/02/40/32/512024032.db2.gz AUPZYEXSCRXTKZ-BHZSWEIISA-N 1 2 373.497 2.544 20 30 FFEDLO COc1ccccc1N1CCC(NC(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000329357883 512033776 /nfs/dbraw/zinc/03/37/76/512033776.db2.gz BHFXVJYUNQIGFK-UHFFFAOYSA-N 1 2 373.497 2.875 20 30 FFEDLO CC(C)(C)c1csc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000329564885 512069685 /nfs/dbraw/zinc/06/96/85/512069685.db2.gz OBGXNXZYUIBVTR-ZDUSSCGKSA-N 1 2 352.504 2.783 20 30 FFEDLO CN(C[C@@H]1CCCC[C@@H]1O)C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329580599 512072436 /nfs/dbraw/zinc/07/24/36/512072436.db2.gz WWNSOIFJWYJAAA-XHSDSOJGSA-N 1 2 362.518 2.892 20 30 FFEDLO CC1(CO)CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000329606841 512076840 /nfs/dbraw/zinc/07/68/40/512076840.db2.gz MQVXPLGKMPUYOQ-UHFFFAOYSA-N 1 2 352.504 2.769 20 30 FFEDLO O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000329665783 512083483 /nfs/dbraw/zinc/08/34/83/512083483.db2.gz QYIBJULPKBKEKU-YWPYICTPSA-N 1 2 366.845 2.792 20 30 FFEDLO O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000329665783 512083490 /nfs/dbraw/zinc/08/34/90/512083490.db2.gz QYIBJULPKBKEKU-YWPYICTPSA-N 1 2 366.845 2.792 20 30 FFEDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329765195 512095270 /nfs/dbraw/zinc/09/52/70/512095270.db2.gz WRTNRHXVPWKEEM-BZSNNMDCSA-N 1 2 358.486 2.579 20 30 FFEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NC[C@@H]2CCCS2)cc1 ZINC000329784092 512097421 /nfs/dbraw/zinc/09/74/21/512097421.db2.gz VRZUXHFKFYHKHE-ROUUACIJSA-N 1 2 363.527 2.768 20 30 FFEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CCCCC23CCCC3)CCO1 ZINC000329820314 512101246 /nfs/dbraw/zinc/10/12/46/512101246.db2.gz PLVIEXIQNIYOEA-HZPDHXFCSA-N 1 2 366.506 2.571 20 30 FFEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CCCCC23CCCC3)CCO1 ZINC000329820314 512101248 /nfs/dbraw/zinc/10/12/48/512101248.db2.gz PLVIEXIQNIYOEA-HZPDHXFCSA-N 1 2 366.506 2.571 20 30 FFEDLO C[C@@H]1CCN(C([O-])=[NH+]C[C@@H]2COc3ccccc3O2)C[C@H]1n1cc[nH+]c1 ZINC000329896024 512106092 /nfs/dbraw/zinc/10/60/92/512106092.db2.gz KSDRRCNGFRCPEU-BZUAXINKSA-N 1 2 356.426 2.520 20 30 FFEDLO C[C@@H]1CCN(C(=O)NC[C@@H]2COc3ccccc3O2)C[C@H]1n1cc[nH+]c1 ZINC000329896024 512106093 /nfs/dbraw/zinc/10/60/93/512106093.db2.gz KSDRRCNGFRCPEU-BZUAXINKSA-N 1 2 356.426 2.520 20 30 FFEDLO Cc1ncsc1CCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000411122719 512477825 /nfs/dbraw/zinc/47/78/25/512477825.db2.gz BAIACIBEYVXEBZ-UHFFFAOYSA-N 1 2 354.479 2.600 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000375767501 512496829 /nfs/dbraw/zinc/49/68/29/512496829.db2.gz FQUIJWRQQDVFFK-ROUUACIJSA-N 1 2 361.417 2.567 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000375767501 512496830 /nfs/dbraw/zinc/49/68/30/512496830.db2.gz FQUIJWRQQDVFFK-ROUUACIJSA-N 1 2 361.417 2.567 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000373823560 512522834 /nfs/dbraw/zinc/52/28/34/512522834.db2.gz OHTIARGIRCZCGI-MSOLQXFVSA-N 1 2 373.840 2.915 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000373823560 512522839 /nfs/dbraw/zinc/52/28/39/512522839.db2.gz OHTIARGIRCZCGI-MSOLQXFVSA-N 1 2 373.840 2.915 20 30 FFEDLO CC(C)(CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)[NH+]1CCOCC1 ZINC000369757462 512593426 /nfs/dbraw/zinc/59/34/26/512593426.db2.gz MPFGWWRJYHVLEW-RTBURBONSA-N 1 2 370.497 2.579 20 30 FFEDLO C#CCCCS(=O)(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000376342845 512777231 /nfs/dbraw/zinc/77/72/31/512777231.db2.gz CMTBBHDYKFUUPR-DOTOQJQBSA-N 1 2 374.428 2.572 20 30 FFEDLO C#CCCCS(=O)(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000376342845 512777233 /nfs/dbraw/zinc/77/72/33/512777233.db2.gz CMTBBHDYKFUUPR-DOTOQJQBSA-N 1 2 374.428 2.572 20 30 FFEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000378543628 512816160 /nfs/dbraw/zinc/81/61/60/512816160.db2.gz JWLYYJWPLUZSOK-CQSZACIVSA-N 1 2 353.426 2.874 20 30 FFEDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000372387620 512846355 /nfs/dbraw/zinc/84/63/55/512846355.db2.gz RQHILJGHLYLCJF-UHFFFAOYSA-N 1 2 364.858 2.565 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c(C#N)c1C ZINC000411935457 512880358 /nfs/dbraw/zinc/88/03/58/512880358.db2.gz IEZPXIXRJDVWLS-RDJZCZTQSA-N 1 2 355.463 2.983 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c(C#N)c1C ZINC000411935457 512880365 /nfs/dbraw/zinc/88/03/65/512880365.db2.gz IEZPXIXRJDVWLS-RDJZCZTQSA-N 1 2 355.463 2.983 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)nc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374662000 512943332 /nfs/dbraw/zinc/94/33/32/512943332.db2.gz JTYHZUUEZQWJFZ-WMZOPIPTSA-N 1 2 374.366 2.936 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)nc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374662000 512943333 /nfs/dbraw/zinc/94/33/33/512943333.db2.gz JTYHZUUEZQWJFZ-WMZOPIPTSA-N 1 2 374.366 2.936 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000412119579 512968858 /nfs/dbraw/zinc/96/88/58/512968858.db2.gz YCXNIBPHBUOKOJ-TYCQWZJGSA-N 1 2 360.461 2.962 20 30 FFEDLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000407974266 512977734 /nfs/dbraw/zinc/97/77/34/512977734.db2.gz SGNHJECUOFVCPC-FGTMMUONSA-N 1 2 354.498 2.573 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C1=O ZINC000368530402 512989087 /nfs/dbraw/zinc/98/90/87/512989087.db2.gz MAANWEQSJWPMNL-OAGGEKHMSA-N 1 2 361.511 2.519 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C1=O ZINC000368530402 512989092 /nfs/dbraw/zinc/98/90/92/512989092.db2.gz MAANWEQSJWPMNL-OAGGEKHMSA-N 1 2 361.511 2.519 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374762736 512989630 /nfs/dbraw/zinc/98/96/30/512989630.db2.gz QNLBSLOLWNJUIS-NVXWUHKLSA-N 1 2 362.355 2.869 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374762736 512989634 /nfs/dbraw/zinc/98/96/34/512989634.db2.gz QNLBSLOLWNJUIS-NVXWUHKLSA-N 1 2 362.355 2.869 20 30 FFEDLO N#Cc1cc(S(=O)(=O)N2CCOc3cc[nH+]cc32)ccc1C(F)(F)F ZINC000409516299 513117048 /nfs/dbraw/zinc/11/70/48/513117048.db2.gz WTMRMQBHJDXLOW-UHFFFAOYSA-N 1 2 369.324 2.560 20 30 FFEDLO Cc1nc2[nH]ccc2c(NCCCc2nn(-c3ccccc3)c(N)c2C#N)[nH+]1 ZINC000433772510 513147567 /nfs/dbraw/zinc/14/75/67/513147567.db2.gz YNSYUGSOPVGDJQ-UHFFFAOYSA-N 1 2 372.436 2.902 20 30 FFEDLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2nccc(C#N)n2)CC1 ZINC000450357520 513156727 /nfs/dbraw/zinc/15/67/27/513156727.db2.gz LHGBBYRCMIQFRV-ZDUSSCGKSA-N 1 2 372.270 2.994 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCc2ncsc2C1 ZINC000446084556 513181206 /nfs/dbraw/zinc/18/12/06/513181206.db2.gz UKLWEKFBJARLMJ-CQSZACIVSA-N 1 2 370.478 2.845 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCc2ncsc2C1 ZINC000446084556 513181210 /nfs/dbraw/zinc/18/12/10/513181210.db2.gz UKLWEKFBJARLMJ-CQSZACIVSA-N 1 2 370.478 2.845 20 30 FFEDLO C=CCC1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CCOCC1 ZINC000424563271 513183913 /nfs/dbraw/zinc/18/39/13/513183913.db2.gz KTEQCSJDPALAES-LJQANCHMSA-N 1 2 358.482 2.549 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1C ZINC000428795111 513193565 /nfs/dbraw/zinc/19/35/65/513193565.db2.gz VTLNHPDCEDJBHR-GOSISDBHSA-N 1 2 364.449 2.894 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1C ZINC000428795111 513193572 /nfs/dbraw/zinc/19/35/72/513193572.db2.gz VTLNHPDCEDJBHR-GOSISDBHSA-N 1 2 364.449 2.894 20 30 FFEDLO CC1(C)C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@@H](C(F)(F)F)O1 ZINC000428932230 513225868 /nfs/dbraw/zinc/22/58/68/513225868.db2.gz JEMSNKIQCZELGH-NSHDSACASA-N 1 2 361.389 2.990 20 30 FFEDLO CC1(C)C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@@H](C(F)(F)F)O1 ZINC000428932230 513225873 /nfs/dbraw/zinc/22/58/73/513225873.db2.gz JEMSNKIQCZELGH-NSHDSACASA-N 1 2 361.389 2.990 20 30 FFEDLO CN(C)c1nc(N2CC[C@H](Oc3ccc(C#N)cn3)C2)[nH+]c2ccccc21 ZINC000450537951 513241250 /nfs/dbraw/zinc/24/12/50/513241250.db2.gz FYKMDEBNTUOAPH-HNNXBMFYSA-N 1 2 360.421 2.620 20 30 FFEDLO CC(C)([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cc(C(F)(F)F)on1 ZINC000429261105 513318541 /nfs/dbraw/zinc/31/85/41/513318541.db2.gz PIEACYYAZHXRRY-UHFFFAOYSA-N 1 2 358.364 2.861 20 30 FFEDLO Cc1cc(NC[C@@H](CO)Cc2ccccc2OC(F)(F)F)c(C#N)c[nH+]1 ZINC000425227275 513462229 /nfs/dbraw/zinc/46/22/29/513462229.db2.gz IRKKBGLPFXUCEV-ZDUSSCGKSA-N 1 2 365.355 2.845 20 30 FFEDLO Cc1cc(NC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)c(C#N)c[nH+]1 ZINC000425231730 513464131 /nfs/dbraw/zinc/46/41/31/513464131.db2.gz DWNMTSXFQZIBRD-AWEZNQCLSA-N 1 2 365.355 2.845 20 30 FFEDLO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)Cc2ccccc21 ZINC000441118560 513490628 /nfs/dbraw/zinc/49/06/28/513490628.db2.gz CDFLBNQNNYDQMS-KLHJMIIUSA-N 1 2 371.481 2.592 20 30 FFEDLO CCOC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)Cc2ccccc21 ZINC000441118560 513490634 /nfs/dbraw/zinc/49/06/34/513490634.db2.gz CDFLBNQNNYDQMS-KLHJMIIUSA-N 1 2 371.481 2.592 20 30 FFEDLO Cc1cc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)c(C#N)cc1[N+](=O)[O-] ZINC000413249905 513547321 /nfs/dbraw/zinc/54/73/21/513547321.db2.gz ZTXPQUMYOWQLCL-HOTGVXAUSA-N 1 2 372.404 2.533 20 30 FFEDLO Cc1cc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)c(C#N)cc1[N+](=O)[O-] ZINC000413249905 513547330 /nfs/dbraw/zinc/54/73/30/513547330.db2.gz ZTXPQUMYOWQLCL-HOTGVXAUSA-N 1 2 372.404 2.533 20 30 FFEDLO Cc1ccccc1[C@@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000441459350 513574390 /nfs/dbraw/zinc/57/43/90/513574390.db2.gz VXQLGZOIRGWNKP-UTKZUKDTSA-N 1 2 363.461 2.945 20 30 FFEDLO Cc1ccccc1[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000441459350 513574396 /nfs/dbraw/zinc/57/43/96/513574396.db2.gz VXQLGZOIRGWNKP-UTKZUKDTSA-N 1 2 363.461 2.945 20 30 FFEDLO CCOC(=O)c1cnn(C2CC[NH+](Cc3cccc(F)c3C#N)CC2)c1 ZINC000451213040 513597639 /nfs/dbraw/zinc/59/76/39/513597639.db2.gz RBLZTRYNKOGFMT-UHFFFAOYSA-N 1 2 356.401 2.908 20 30 FFEDLO C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H]1C(=O)OC(C)(C)C ZINC000425519396 513618139 /nfs/dbraw/zinc/61/81/39/513618139.db2.gz GGYDZKIRKZAHQB-KXBFYZLASA-N 1 2 371.481 2.617 20 30 FFEDLO C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H]1C(=O)OC(C)(C)C ZINC000425519396 513618141 /nfs/dbraw/zinc/61/81/41/513618141.db2.gz GGYDZKIRKZAHQB-KXBFYZLASA-N 1 2 371.481 2.617 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2COc2ccccc2)cc1 ZINC000451314801 513671490 /nfs/dbraw/zinc/67/14/90/513671490.db2.gz QGGSFLHFYXWACM-SFHVURJKSA-N 1 2 370.474 2.875 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2COc2ccccc2)cc1 ZINC000451314801 513671493 /nfs/dbraw/zinc/67/14/93/513671493.db2.gz QGGSFLHFYXWACM-SFHVURJKSA-N 1 2 370.474 2.875 20 30 FFEDLO CC(=O)c1ccc(C#N)cc1N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000418945758 513699724 /nfs/dbraw/zinc/69/97/24/513699724.db2.gz LXEFTAURMBEFJB-FQEVSTJZSA-N 1 2 357.454 2.661 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000436082675 513755818 /nfs/dbraw/zinc/75/58/18/513755818.db2.gz TWQMUOLIDQNLES-LJQANCHMSA-N 1 2 353.422 2.571 20 30 FFEDLO COC1(C(F)(F)F)CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000419342563 513782691 /nfs/dbraw/zinc/78/26/91/513782691.db2.gz AZCONSPFHDNNBU-LBPRGKRZSA-N 1 2 373.400 2.768 20 30 FFEDLO COc1ccc([C@@H](NC(=O)NCC2(C#N)CCC2)c2[nH+]ccn2C)cc1 ZINC000419404041 513800653 /nfs/dbraw/zinc/80/06/53/513800653.db2.gz FDZNXRZFLMGEQF-MRXNPFEDSA-N 1 2 353.426 2.511 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CNc1cccc(C#N)c1)c1ccccc1F ZINC000425951717 513805448 /nfs/dbraw/zinc/80/54/48/513805448.db2.gz DUFWFOVVEHVEHA-IBGZPJMESA-N 1 2 363.396 2.749 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(NC(=O)c2cccs2)c1 ZINC000414137968 513985745 /nfs/dbraw/zinc/98/57/45/513985745.db2.gz FDOSXKJERUSLBL-HNNXBMFYSA-N 1 2 359.451 2.586 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(NC(=O)c2cccs2)c1 ZINC000414137968 513985751 /nfs/dbraw/zinc/98/57/51/513985751.db2.gz FDOSXKJERUSLBL-HNNXBMFYSA-N 1 2 359.451 2.586 20 30 FFEDLO C=CCn1c(SC[C@@H](O)C[N@H+](C)CCC#N)nnc1-c1ccccc1C ZINC000414161721 513994867 /nfs/dbraw/zinc/99/48/67/513994867.db2.gz KPDVQVOKVNZQAG-INIZCTEOSA-N 1 2 371.510 2.738 20 30 FFEDLO C=CCn1c(SC[C@@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccccc1C ZINC000414161721 513994870 /nfs/dbraw/zinc/99/48/70/513994870.db2.gz KPDVQVOKVNZQAG-INIZCTEOSA-N 1 2 371.510 2.738 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451876367 514037359 /nfs/dbraw/zinc/03/73/59/514037359.db2.gz XVRWLLIIESUXFD-KGLIPLIRSA-N 1 2 368.403 2.701 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451876367 514037365 /nfs/dbraw/zinc/03/73/65/514037365.db2.gz XVRWLLIIESUXFD-KGLIPLIRSA-N 1 2 368.403 2.701 20 30 FFEDLO COc1cc(F)cc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000449044258 514048304 /nfs/dbraw/zinc/04/83/04/514048304.db2.gz CPIVERWVEDUKDN-VLIAUNLRSA-N 1 2 351.381 2.680 20 30 FFEDLO COc1cc(F)cc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000449044258 514048308 /nfs/dbraw/zinc/04/83/08/514048308.db2.gz CPIVERWVEDUKDN-VLIAUNLRSA-N 1 2 351.381 2.680 20 30 FFEDLO Cc1cc(S(=O)(=O)NCc2ccc(N3CCCCC3)[nH+]c2)ccc1C#N ZINC000443949919 514079881 /nfs/dbraw/zinc/07/98/81/514079881.db2.gz UEVVNQCMBLQRQH-UHFFFAOYSA-N 1 2 370.478 2.731 20 30 FFEDLO Cc1cccc(S(=O)(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1C#N ZINC000432308757 514154865 /nfs/dbraw/zinc/15/48/65/514154865.db2.gz XJWBSOFNDFPADZ-SFHVURJKSA-N 1 2 366.446 3.000 20 30 FFEDLO Cc1cc(NC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c(C#N)cc1N(C)C ZINC000417167247 514205425 /nfs/dbraw/zinc/20/54/25/514205425.db2.gz ZJAAAVZQMFQUME-QGZVFWFLSA-N 1 2 352.442 2.939 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1nc2ccc(F)cc2s1 ZINC000432731888 514269889 /nfs/dbraw/zinc/26/98/89/514269889.db2.gz QUWHQKOHXTXHIW-LBPRGKRZSA-N 1 2 368.441 2.808 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1nc2ccc(F)cc2s1 ZINC000432731888 514269894 /nfs/dbraw/zinc/26/98/94/514269894.db2.gz QUWHQKOHXTXHIW-LBPRGKRZSA-N 1 2 368.441 2.808 20 30 FFEDLO C=CCC[C@@H](C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000427751091 514301191 /nfs/dbraw/zinc/30/11/91/514301191.db2.gz AANSVJHOVWNFBB-LEWJYISDSA-N 1 2 372.509 2.686 20 30 FFEDLO C=CCNc1ncc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)s1 ZINC000432917565 514322676 /nfs/dbraw/zinc/32/26/76/514322676.db2.gz LNZHXOZBIJJSIL-OAHLLOKOSA-N 1 2 371.441 2.555 20 30 FFEDLO CCN1CCN(C(=O)c2cccc(SCC#N)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433108202 514385016 /nfs/dbraw/zinc/38/50/16/514385016.db2.gz ZLOBXAQOEVBPTB-MRXNPFEDSA-N 1 2 355.467 2.544 20 30 FFEDLO C=CCn1cc(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)nn1 ZINC000424175277 514406900 /nfs/dbraw/zinc/40/69/00/514406900.db2.gz UEURXHCHWYGIKB-KRWDZBQOSA-N 1 2 362.861 2.965 20 30 FFEDLO N#CCN1CC[NH+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000428236427 514428574 /nfs/dbraw/zinc/42/85/74/514428574.db2.gz FTQGGCUZTJSBQN-UHFFFAOYSA-N 1 2 363.387 2.591 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@]23CCOC3)c1C#N ZINC000421023002 514443936 /nfs/dbraw/zinc/44/39/36/514443936.db2.gz QPIBLGFEYFOEJT-OAQYLSRUSA-N 1 2 364.449 2.769 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@]23CCOC3)c1C#N ZINC000421023002 514443941 /nfs/dbraw/zinc/44/39/41/514443941.db2.gz QPIBLGFEYFOEJT-OAQYLSRUSA-N 1 2 364.449 2.769 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@H](O)CC[C@H]2C)c1C#N ZINC000421028812 514447882 /nfs/dbraw/zinc/44/78/82/514447882.db2.gz WSSHGILVSMEHNQ-CXAGYDPISA-N 1 2 358.486 2.875 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@H](O)CC[C@H]2C)c1C#N ZINC000421028812 514447887 /nfs/dbraw/zinc/44/78/87/514447887.db2.gz WSSHGILVSMEHNQ-CXAGYDPISA-N 1 2 358.486 2.875 20 30 FFEDLO N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000428340657 514452682 /nfs/dbraw/zinc/45/26/82/514452682.db2.gz KQTRZCBYAGQIBQ-MRXNPFEDSA-N 1 2 362.389 2.672 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)cc1OC ZINC000428381782 514461628 /nfs/dbraw/zinc/46/16/28/514461628.db2.gz PTHICLPJYQWGBD-HNNXBMFYSA-N 1 2 368.271 2.979 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@H](O)C3(CC3)C2)cc1OC ZINC000428381782 514461632 /nfs/dbraw/zinc/46/16/32/514461632.db2.gz PTHICLPJYQWGBD-HNNXBMFYSA-N 1 2 368.271 2.979 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000428384780 514463045 /nfs/dbraw/zinc/46/30/45/514463045.db2.gz CWOZBCJOEZLWNV-UHFFFAOYSA-N 1 2 366.531 2.961 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000455468185 514541204 /nfs/dbraw/zinc/54/12/04/514541204.db2.gz NJBXWDVWBKIWGS-RHSMWYFYSA-N 1 2 353.426 2.619 20 30 FFEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1F ZINC000455541961 514580700 /nfs/dbraw/zinc/58/07/00/514580700.db2.gz NFWUOWHIINUCCP-UHFFFAOYSA-N 1 2 358.442 2.786 20 30 FFEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)c3ccccn3)CC2)c1 ZINC000508012598 514638846 /nfs/dbraw/zinc/63/88/46/514638846.db2.gz KUWZPKPLMKKOMK-UHFFFAOYSA-N 1 2 364.449 2.722 20 30 FFEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000508043177 514645614 /nfs/dbraw/zinc/64/56/14/514645614.db2.gz IKSJIOQQUGNKIC-LJQANCHMSA-N 1 2 370.497 2.704 20 30 FFEDLO CCC(C)(C)OCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000455639884 514651931 /nfs/dbraw/zinc/65/19/31/514651931.db2.gz IHLRYHBBUPGYJK-UHFFFAOYSA-N 1 2 358.486 2.591 20 30 FFEDLO C[C@@H]1CCCN(C(=O)C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1 ZINC000471008622 514713295 /nfs/dbraw/zinc/71/32/95/514713295.db2.gz QDJBMFDPOFDGTN-VQIMIIECSA-N 1 2 374.916 2.781 20 30 FFEDLO C[C@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000461737553 514713470 /nfs/dbraw/zinc/71/34/70/514713470.db2.gz PJUYEWJXLANGFY-KRWDZBQOSA-N 1 2 363.461 2.810 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000502653548 514729123 /nfs/dbraw/zinc/72/91/23/514729123.db2.gz JBIVTRRDWYIGLA-MRXNPFEDSA-N 1 2 367.424 2.809 20 30 FFEDLO N#CCc1cccc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000455934383 514845940 /nfs/dbraw/zinc/84/59/40/514845940.db2.gz AFRQQWPYRATBLN-UHFFFAOYSA-N 1 2 364.449 2.981 20 30 FFEDLO Cn1ncc(C(=O)Nc2cccc(C[N@H+](C)Cc3cscn3)c2)c1C#N ZINC000475918635 514856141 /nfs/dbraw/zinc/85/61/41/514856141.db2.gz KZFDBTFQWLLVNG-UHFFFAOYSA-N 1 2 366.450 2.633 20 30 FFEDLO Cn1ncc(C(=O)Nc2cccc(C[N@@H+](C)Cc3cscn3)c2)c1C#N ZINC000475918635 514856149 /nfs/dbraw/zinc/85/61/49/514856149.db2.gz KZFDBTFQWLLVNG-UHFFFAOYSA-N 1 2 366.450 2.633 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000453756275 514860587 /nfs/dbraw/zinc/86/05/87/514860587.db2.gz PSDZMPGYJQQCHU-UHFFFAOYSA-N 1 2 367.453 2.503 20 30 FFEDLO Cc1cc(C#N)cc(NC(=O)N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c1 ZINC000455956425 514863773 /nfs/dbraw/zinc/86/37/73/514863773.db2.gz ORSDBNHNJZIZNF-FQEVSTJZSA-N 1 2 372.469 2.794 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)OC[C@@H]2CC)cc1 ZINC000508709459 514871665 /nfs/dbraw/zinc/87/16/65/514871665.db2.gz LWCRWCDYEOASKX-SJORKVTESA-N 1 2 359.470 2.831 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)OC[C@@H]2CC)cc1 ZINC000508709459 514871674 /nfs/dbraw/zinc/87/16/74/514871674.db2.gz LWCRWCDYEOASKX-SJORKVTESA-N 1 2 359.470 2.831 20 30 FFEDLO CC(=O)c1ccc(C#N)cc1N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000480214976 514883479 /nfs/dbraw/zinc/88/34/79/514883479.db2.gz PYAVZUPDCRVJPS-QGZVFWFLSA-N 1 2 367.453 2.943 20 30 FFEDLO CC(=O)c1ccc(C#N)cc1N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000480214976 514883488 /nfs/dbraw/zinc/88/34/88/514883488.db2.gz PYAVZUPDCRVJPS-QGZVFWFLSA-N 1 2 367.453 2.943 20 30 FFEDLO C=CCn1c(C)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000508952344 514963911 /nfs/dbraw/zinc/96/39/11/514963911.db2.gz PUNGXZRTVKFOQZ-UHFFFAOYSA-N 1 2 361.877 2.627 20 30 FFEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000467304289 514972467 /nfs/dbraw/zinc/97/24/67/514972467.db2.gz KVMGNBWFXBKXQW-NOLJZWGESA-N 1 2 350.365 2.933 20 30 FFEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000467304289 514972477 /nfs/dbraw/zinc/97/24/77/514972477.db2.gz KVMGNBWFXBKXQW-NOLJZWGESA-N 1 2 350.365 2.933 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000453936617 515034064 /nfs/dbraw/zinc/03/40/64/515034064.db2.gz CVVKRTIYMMWZRQ-MSOLQXFVSA-N 1 2 367.405 2.662 20 30 FFEDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000467713598 515089658 /nfs/dbraw/zinc/08/96/58/515089658.db2.gz MSIGEJNNNJANKV-UHFFFAOYSA-N 1 2 368.403 2.567 20 30 FFEDLO N#CCCC[C@H](NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000458795651 515101921 /nfs/dbraw/zinc/10/19/21/515101921.db2.gz CUGHKZFORYZQQA-SFHVURJKSA-N 1 2 366.469 2.672 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000498903691 515108579 /nfs/dbraw/zinc/10/85/79/515108579.db2.gz AQQKRGDGXQXSOQ-IDHHARJASA-N 1 2 358.486 2.723 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](CC)CN1C(C)=O ZINC000472332485 515229568 /nfs/dbraw/zinc/22/95/68/515229568.db2.gz WVJDHJZHBKYWIN-QZTJIDSGSA-N 1 2 367.453 2.830 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](CC)CN1C(C)=O ZINC000472332485 515229575 /nfs/dbraw/zinc/22/95/75/515229575.db2.gz WVJDHJZHBKYWIN-QZTJIDSGSA-N 1 2 367.453 2.830 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](CC)CN1C(C)=O ZINC000472332487 515230582 /nfs/dbraw/zinc/23/05/82/515230582.db2.gz WVJDHJZHBKYWIN-ZWKOTPCHSA-N 1 2 367.453 2.830 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](CC)CN1C(C)=O ZINC000472332487 515230586 /nfs/dbraw/zinc/23/05/86/515230586.db2.gz WVJDHJZHBKYWIN-ZWKOTPCHSA-N 1 2 367.453 2.830 20 30 FFEDLO Cc1ccc(CCCCC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000499328120 515286412 /nfs/dbraw/zinc/28/64/12/515286412.db2.gz DQPQYTIUYUSRMK-UHFFFAOYSA-N 1 2 357.498 2.782 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cc1 ZINC000472484371 515286958 /nfs/dbraw/zinc/28/69/58/515286958.db2.gz WRMDPJAHCAAEDL-IBGZPJMESA-N 1 2 355.401 2.947 20 30 FFEDLO CC[C@H](C)c1ccccc1OCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000499333867 515290855 /nfs/dbraw/zinc/29/08/55/515290855.db2.gz UKXINJVYLCHLSM-SFHVURJKSA-N 1 2 373.497 2.653 20 30 FFEDLO Cc1ccn(Cc2[nH+]c3ccc(Br)cc3n2C)c(=O)c1C#N ZINC000486036659 515307991 /nfs/dbraw/zinc/30/79/91/515307991.db2.gz BOKRFDAZMFDEDH-UHFFFAOYSA-N 1 2 357.211 2.726 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000490816645 515310552 /nfs/dbraw/zinc/31/05/52/515310552.db2.gz DDBDJBQZZKCQNW-UHFFFAOYSA-N 1 2 364.405 2.747 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000490816645 515310558 /nfs/dbraw/zinc/31/05/58/515310558.db2.gz DDBDJBQZZKCQNW-UHFFFAOYSA-N 1 2 364.405 2.747 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ncccc1OCCCC#N)C1CC1 ZINC000481485246 515343729 /nfs/dbraw/zinc/34/37/29/515343729.db2.gz LSIPKIFKEDKQGP-OAHLLOKOSA-N 1 2 354.414 2.770 20 30 FFEDLO C=CCCc1ccccc1NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000505057679 515437645 /nfs/dbraw/zinc/43/76/45/515437645.db2.gz JZWDDIPIFJSXBM-INIZCTEOSA-N 1 2 370.497 2.622 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)c2cccc3ccccc32)C1=O ZINC000499989989 515547720 /nfs/dbraw/zinc/54/77/20/515547720.db2.gz NLWHCYQRTJSWQU-UZLBHIALSA-N 1 2 365.477 2.736 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)c2cccc3ccccc32)C1=O ZINC000499989989 515547728 /nfs/dbraw/zinc/54/77/28/515547728.db2.gz NLWHCYQRTJSWQU-UZLBHIALSA-N 1 2 365.477 2.736 20 30 FFEDLO N#Cc1ccc(CNC(=O)Nc2ccccc2C[NH+]2CCOCC2)cc1F ZINC000454548694 515569627 /nfs/dbraw/zinc/56/96/27/515569627.db2.gz WASFHILSGWDBIO-UHFFFAOYSA-N 1 2 368.412 2.851 20 30 FFEDLO Cc1cc(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)ccc1C#N ZINC000486726390 515610776 /nfs/dbraw/zinc/61/07/76/515610776.db2.gz CNMAPICNRRBEKD-UHFFFAOYSA-N 1 2 369.490 2.763 20 30 FFEDLO Cc1cc(C[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)ccc1C#N ZINC000486726390 515610780 /nfs/dbraw/zinc/61/07/80/515610780.db2.gz CNMAPICNRRBEKD-UHFFFAOYSA-N 1 2 369.490 2.763 20 30 FFEDLO CCOc1ccc([C@H](C)NC(=O)C[NH+]2CCC(F)(C#N)CC2)cc1OC ZINC000510912282 515711977 /nfs/dbraw/zinc/71/19/77/515711977.db2.gz AAEKAMZDWOKILY-AWEZNQCLSA-N 1 2 363.433 2.599 20 30 FFEDLO CCOc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(F)(C#N)CC2)cc1OC ZINC000510912283 515712066 /nfs/dbraw/zinc/71/20/66/515712066.db2.gz AAEKAMZDWOKILY-CQSZACIVSA-N 1 2 363.433 2.599 20 30 FFEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000506296412 515842589 /nfs/dbraw/zinc/84/25/89/515842589.db2.gz ZLFQJTGDKOSXIP-UHFFFAOYSA-N 1 2 357.429 2.506 20 30 FFEDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000483010700 515880307 /nfs/dbraw/zinc/88/03/07/515880307.db2.gz GRCVMTYRHKWFTQ-QGZVFWFLSA-N 1 2 370.428 2.764 20 30 FFEDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000483010700 515880319 /nfs/dbraw/zinc/88/03/19/515880319.db2.gz GRCVMTYRHKWFTQ-QGZVFWFLSA-N 1 2 370.428 2.764 20 30 FFEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(C#N)o2)c2ccc(Cl)cc2)C1 ZINC000494633617 515904694 /nfs/dbraw/zinc/90/46/94/515904694.db2.gz XJQPKNHXNGDRQO-DLBZAZTESA-N 1 2 359.813 2.606 20 30 FFEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(C#N)o2)c2ccc(Cl)cc2)C1 ZINC000494633617 515904699 /nfs/dbraw/zinc/90/46/99/515904699.db2.gz XJQPKNHXNGDRQO-DLBZAZTESA-N 1 2 359.813 2.606 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(-c4ccncc4)on3)CC2)cc1 ZINC000512075710 516140483 /nfs/dbraw/zinc/14/04/83/516140483.db2.gz KFSYMZZGWCDPHQ-UHFFFAOYSA-N 1 2 373.416 2.566 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc(C)n(-c3cccc(C#N)c3)n1)CCC2 ZINC000507282082 516155176 /nfs/dbraw/zinc/15/51/76/516155176.db2.gz OCTTZFGSXQMYML-QGZVFWFLSA-N 1 2 374.448 2.865 20 30 FFEDLO Cc1cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)nn1-c1cccc(C#N)c1 ZINC000507299286 516162603 /nfs/dbraw/zinc/16/26/03/516162603.db2.gz GNAAZVUEIZVKEE-YWZLYKJASA-N 1 2 374.448 2.972 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)N[C@@H]1CCOc2ccccc21)Cc1ccc(CO)o1 ZINC000512213141 516199395 /nfs/dbraw/zinc/19/93/95/516199395.db2.gz QOJNHVDXXPDYRW-LJQANCHMSA-N 1 2 370.449 2.790 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)N[C@@H]1CCOc2ccccc21)Cc1ccc(CO)o1 ZINC000512213141 516199404 /nfs/dbraw/zinc/19/94/04/516199404.db2.gz QOJNHVDXXPDYRW-LJQANCHMSA-N 1 2 370.449 2.790 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)Nc1cc(OC)ccc1OC)Cc1ccc(CO)o1 ZINC000512227534 516202663 /nfs/dbraw/zinc/20/26/63/516202663.db2.gz LWFBEQCINHNSCU-UHFFFAOYSA-N 1 2 374.437 2.806 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)Nc1cc(OC)ccc1OC)Cc1ccc(CO)o1 ZINC000512227534 516202668 /nfs/dbraw/zinc/20/26/68/516202668.db2.gz LWFBEQCINHNSCU-UHFFFAOYSA-N 1 2 374.437 2.806 20 30 FFEDLO CCO[C@H](CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000470475140 516264742 /nfs/dbraw/zinc/26/47/42/516264742.db2.gz GPMVZFMRYMYFGC-HXUWFJFHSA-N 1 2 372.513 2.837 20 30 FFEDLO C=CCN(CCc1ccco1)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000496705077 516277098 /nfs/dbraw/zinc/27/70/98/516277098.db2.gz AHKJLCQLFKHSKW-UHFFFAOYSA-N 1 2 354.450 2.983 20 30 FFEDLO CC(C)N(C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000497474037 516323263 /nfs/dbraw/zinc/32/32/63/516323263.db2.gz YKMNVWDPSGGWTJ-UHFFFAOYSA-N 1 2 363.465 2.517 20 30 FFEDLO COc1cccc(OCC[NH+]2CCN(c3nccc(C#N)c3Cl)CC2)c1 ZINC000557626591 516344657 /nfs/dbraw/zinc/34/46/57/516344657.db2.gz RJWAUCRGOPTDIR-UHFFFAOYSA-N 1 2 372.856 2.816 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H](C)c2cccc(CC(C)C)c2)c1C#N ZINC000554288615 516363827 /nfs/dbraw/zinc/36/38/27/516363827.db2.gz CPVMSZAVZYUECV-OAHLLOKOSA-N 1 2 367.497 2.796 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@@]2(C)CC)cc1 ZINC000535565815 516402225 /nfs/dbraw/zinc/40/22/25/516402225.db2.gz FREWYKXOPBNXGP-HXUWFJFHSA-N 1 2 359.470 2.833 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@@]2(C)CC)cc1 ZINC000535565815 516402234 /nfs/dbraw/zinc/40/22/34/516402234.db2.gz FREWYKXOPBNXGP-HXUWFJFHSA-N 1 2 359.470 2.833 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(N2CCSCC2)[nH+]cn1 ZINC000557735258 516409747 /nfs/dbraw/zinc/40/97/47/516409747.db2.gz WRAYHKASOUDKFZ-UHFFFAOYSA-N 1 2 360.483 2.698 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(N2CCSCC2)nc[nH+]1 ZINC000557735258 516409753 /nfs/dbraw/zinc/40/97/53/516409753.db2.gz WRAYHKASOUDKFZ-UHFFFAOYSA-N 1 2 360.483 2.698 20 30 FFEDLO N#Cc1cc(S(=O)(=O)NCCCCn2cc[nH+]c2)ccc1C(F)(F)F ZINC000554518552 516481764 /nfs/dbraw/zinc/48/17/64/516481764.db2.gz WKQZXKCCVTYMLO-UHFFFAOYSA-N 1 2 372.372 2.532 20 30 FFEDLO CC1(C)C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@H]1c1ccncc1 ZINC000528562120 516532582 /nfs/dbraw/zinc/53/25/82/516532582.db2.gz YERAHUZVTYNXQK-IBGZPJMESA-N 1 2 359.429 2.764 20 30 FFEDLO CC1(C)C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@H]1c1ccncc1 ZINC000528562120 516532590 /nfs/dbraw/zinc/53/25/90/516532590.db2.gz YERAHUZVTYNXQK-IBGZPJMESA-N 1 2 359.429 2.764 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC([C@@H](O)C(F)(F)F)CC3)o2)c1 ZINC000531988545 516744763 /nfs/dbraw/zinc/74/47/63/516744763.db2.gz WWDOJHXXLZAJEC-OAHLLOKOSA-N 1 2 366.343 2.743 20 30 FFEDLO CC1(C#N)CC[NH+]([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000540930461 516778149 /nfs/dbraw/zinc/77/81/49/516778149.db2.gz CPUAAXDTMZEPOT-CQSZACIVSA-N 1 2 365.355 2.963 20 30 FFEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)Cc1ccc(C#N)nc1 ZINC000528906979 516786796 /nfs/dbraw/zinc/78/67/96/516786796.db2.gz YZCHDHZKPDFVFK-GOSISDBHSA-N 1 2 359.433 2.845 20 30 FFEDLO CCOC(=O)c1cnc(N2CC[NH+](Cc3cc(C#N)cs3)CC2)s1 ZINC000536665862 516881297 /nfs/dbraw/zinc/88/12/97/516881297.db2.gz DEACBWMYVKGMMA-UHFFFAOYSA-N 1 2 362.480 2.575 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000514169204 516887447 /nfs/dbraw/zinc/88/74/47/516887447.db2.gz GCYXRLGPZXTERD-IAGOWNOFSA-N 1 2 364.449 2.626 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000541187702 516920117 /nfs/dbraw/zinc/92/01/17/516920117.db2.gz VIBFVNXPFCNUSN-UHFFFAOYSA-N 1 2 358.467 2.636 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000558865730 516977611 /nfs/dbraw/zinc/97/76/11/516977611.db2.gz LSYNWBOBIQDXLZ-UWVGGRQHSA-N 1 2 355.410 2.749 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000558865730 516977621 /nfs/dbraw/zinc/97/76/21/516977621.db2.gz LSYNWBOBIQDXLZ-UWVGGRQHSA-N 1 2 355.410 2.749 20 30 FFEDLO Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)c1 ZINC000562362373 517055201 /nfs/dbraw/zinc/05/52/01/517055201.db2.gz WZFMCEIIEYXKQS-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO N#Cc1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1Cl ZINC000537168070 517064174 /nfs/dbraw/zinc/06/41/74/517064174.db2.gz UIUQQNNZQDHWEX-SFHVURJKSA-N 1 2 369.852 2.842 20 30 FFEDLO N#Cc1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1Cl ZINC000537168070 517064181 /nfs/dbraw/zinc/06/41/81/517064181.db2.gz UIUQQNNZQDHWEX-SFHVURJKSA-N 1 2 369.852 2.842 20 30 FFEDLO N#Cc1ccc(N2CCN(c3nc(N)c4ccccc4[nH+]3)CC2)c(Cl)c1 ZINC000562467767 517128836 /nfs/dbraw/zinc/12/88/36/517128836.db2.gz RLPLYESXIXQMHY-UHFFFAOYSA-N 1 2 364.840 2.894 20 30 FFEDLO N#Cc1ccc([C@H]([NH2+]Cc2sccc2Br)C(N)=O)cc1 ZINC000515084148 517204969 /nfs/dbraw/zinc/20/49/69/517204969.db2.gz DJMMTFWFIGDHJA-ZDUSSCGKSA-N 1 2 350.241 2.698 20 30 FFEDLO Cc1ccc2[nH+]c(CNC(=O)N3CCC(C#N)(c4ccccn4)CC3)cn2c1 ZINC000548824451 517236823 /nfs/dbraw/zinc/23/68/23/517236823.db2.gz GEOFGAUYBLMGCA-UHFFFAOYSA-N 1 2 374.448 2.805 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000559668191 517370560 /nfs/dbraw/zinc/37/05/60/517370560.db2.gz ARZCVZNBHMDPJF-KRWDZBQOSA-N 1 2 372.513 2.795 20 30 FFEDLO C[C@@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000520529692 517424699 /nfs/dbraw/zinc/42/46/99/517424699.db2.gz FZRFGUCWESVVRJ-RTBURBONSA-N 1 2 362.473 2.925 20 30 FFEDLO C=C(C)Cn1c(CC2CC2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000549264091 517483220 /nfs/dbraw/zinc/48/32/20/517483220.db2.gz WUCRMCGCKWCLPH-UHFFFAOYSA-N 1 2 352.486 2.524 20 30 FFEDLO CCCc1ccc([C@H](C)[N@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000533486272 517488104 /nfs/dbraw/zinc/48/81/04/517488104.db2.gz LPTHXQCDNCDCFW-HRAATJIYSA-N 1 2 372.513 2.542 20 30 FFEDLO CCCc1ccc([C@H](C)[N@@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000533486272 517488117 /nfs/dbraw/zinc/48/81/17/517488117.db2.gz LPTHXQCDNCDCFW-HRAATJIYSA-N 1 2 372.513 2.542 20 30 FFEDLO C=CCCOCCCCC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000538266558 517531343 /nfs/dbraw/zinc/53/13/43/517531343.db2.gz XJYDVPUAZCIIDS-UHFFFAOYSA-N 1 2 370.497 2.742 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549408887 517549046 /nfs/dbraw/zinc/54/90/46/517549046.db2.gz OPYHYHPDRPONMF-KGLIPLIRSA-N 1 2 367.396 2.644 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549408887 517549054 /nfs/dbraw/zinc/54/90/54/517549054.db2.gz OPYHYHPDRPONMF-KGLIPLIRSA-N 1 2 367.396 2.644 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(F)c(C#N)c3)c[nH+]2)C[C@H](C)O1 ZINC000560065659 517560646 /nfs/dbraw/zinc/56/06/46/517560646.db2.gz WMBGRWLYBHNHII-OKILXGFUSA-N 1 2 368.412 2.636 20 30 FFEDLO Cc1cc(NC(=O)c2ccc(F)c(C#N)c2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000560092194 517574848 /nfs/dbraw/zinc/57/48/48/517574848.db2.gz OZRHXUHJIPOKNJ-UHFFFAOYSA-N 1 2 350.357 2.851 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000527260881 517600784 /nfs/dbraw/zinc/60/07/84/517600784.db2.gz YHGKYJNCMMXNDQ-KRWDZBQOSA-N 1 2 371.403 2.978 20 30 FFEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000521107456 517616510 /nfs/dbraw/zinc/61/65/10/517616510.db2.gz SEWFTNSFYGLINU-UHFFFAOYSA-N 1 2 354.435 2.917 20 30 FFEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000521107456 517616516 /nfs/dbraw/zinc/61/65/16/517616516.db2.gz SEWFTNSFYGLINU-UHFFFAOYSA-N 1 2 354.435 2.917 20 30 FFEDLO CC1(C(=O)NCc2[nH]cc[nH+]2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553287322 517625816 /nfs/dbraw/zinc/62/58/16/517625816.db2.gz LQQJHACLSWWFPY-UHFFFAOYSA-N 1 2 357.845 2.858 20 30 FFEDLO CCN(C(=O)[C@@H](C)[NH+]1CCN(c2cnccc2C#N)CC1)c1ccccc1 ZINC000516232732 517628831 /nfs/dbraw/zinc/62/88/31/517628831.db2.gz YKYFOGWFKARBHD-QGZVFWFLSA-N 1 2 363.465 2.517 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000516237455 517629803 /nfs/dbraw/zinc/62/98/03/517629803.db2.gz OWPPOWBDRWQRMB-GOSISDBHSA-N 1 2 364.877 2.633 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000563087315 517649310 /nfs/dbraw/zinc/64/93/10/517649310.db2.gz YPMJHICVASQDMG-XWSJACJDSA-N 1 2 352.438 2.754 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+]([C@@H](C)c3nc4ccccc4o3)CC2)c1C#N ZINC000530361098 517728705 /nfs/dbraw/zinc/72/87/05/517728705.db2.gz SGAZNCXQKRYQKH-AWEZNQCLSA-N 1 2 350.426 2.625 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000553523035 517760803 /nfs/dbraw/zinc/76/08/03/517760803.db2.gz CEEGJJHSIVJNDO-QAPCUYQASA-N 1 2 367.428 2.525 20 30 FFEDLO Cc1c(Cl)cnc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1C#N ZINC000516599098 517760756 /nfs/dbraw/zinc/76/07/56/517760756.db2.gz VGAUDPUXKKBUKP-INIZCTEOSA-N 1 2 356.857 2.650 20 30 FFEDLO Cc1c(Cl)cnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1C#N ZINC000516599098 517760764 /nfs/dbraw/zinc/76/07/64/517760764.db2.gz VGAUDPUXKKBUKP-INIZCTEOSA-N 1 2 356.857 2.650 20 30 FFEDLO C[C@@H]1C[C@H](NC(=O)N(C)CCOCc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000516625660 517776073 /nfs/dbraw/zinc/77/60/73/517776073.db2.gz DPYOYDDKOHEIHQ-PBHICJAKSA-N 1 2 353.426 2.619 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)o1 ZINC000553559415 517782796 /nfs/dbraw/zinc/78/27/96/517782796.db2.gz FLUWVZYWQLASKA-MRXNPFEDSA-N 1 2 371.418 2.554 20 30 FFEDLO N#Cc1ccc(OCC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc1 ZINC000560515404 517865613 /nfs/dbraw/zinc/86/56/13/517865613.db2.gz DNNCIZWOHICITC-QAQDUYKDSA-N 1 2 350.422 2.872 20 30 FFEDLO CC[C@@H](C)Oc1nccnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527827492 517939664 /nfs/dbraw/zinc/93/96/64/517939664.db2.gz BBYBAJUWOXEJNJ-MRXNPFEDSA-N 1 2 351.454 2.848 20 30 FFEDLO N#Cc1c(NCc2cc[nH+]c(N3CCOCC3)c2)cccc1-n1cccn1 ZINC000517039747 517993189 /nfs/dbraw/zinc/99/31/89/517993189.db2.gz JMEZUEMPDSEDTM-UHFFFAOYSA-N 1 2 360.421 2.588 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000557422375 517997609 /nfs/dbraw/zinc/99/76/09/517997609.db2.gz WNBHXYOMYVYWIN-IBGZPJMESA-N 1 2 368.437 2.727 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNc3nccc(C#N)c3Cl)c[nH+]2)C[C@@H](C)O1 ZINC000557495250 518037806 /nfs/dbraw/zinc/03/78/06/518037806.db2.gz XJJWJPIXZBFUMO-CHWSQXEVSA-N 1 2 357.845 2.649 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000550516824 518094478 /nfs/dbraw/zinc/09/44/78/518094478.db2.gz WYDFULYYAGNYJO-KRWDZBQOSA-N 1 2 372.513 2.939 20 30 FFEDLO COc1cc2c(cc1C[NH+]1CCN(c3ccc(C#N)cn3)CC1)O[C@H](C)C2 ZINC000535068880 518144092 /nfs/dbraw/zinc/14/40/92/518144092.db2.gz DDWSEEAKQZQTEC-OAHLLOKOSA-N 1 2 364.449 2.607 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](C)Cc1ccsc1 ZINC000564144330 518323448 /nfs/dbraw/zinc/32/34/48/518323448.db2.gz WZGWNHVJKIDUAW-AWEZNQCLSA-N 1 2 363.508 2.742 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](C)Cc1ccsc1 ZINC000564144330 518323452 /nfs/dbraw/zinc/32/34/52/518323452.db2.gz WZGWNHVJKIDUAW-AWEZNQCLSA-N 1 2 363.508 2.742 20 30 FFEDLO N#Cc1ncccc1SCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000584420959 518334785 /nfs/dbraw/zinc/33/47/85/518334785.db2.gz YEMMKMLDJHTCON-UHFFFAOYSA-N 1 2 368.462 2.516 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000572728565 518335335 /nfs/dbraw/zinc/33/53/35/518335335.db2.gz VFTYSWDWFGTQQC-YOEHRIQHSA-N 1 2 372.444 2.626 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000567205342 518403748 /nfs/dbraw/zinc/40/37/48/518403748.db2.gz DUWNITAYWSFPFE-MRXNPFEDSA-N 1 2 356.495 2.738 20 30 FFEDLO CCc1ccc(-c2nc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)cs2)cc1 ZINC000576111979 518434756 /nfs/dbraw/zinc/43/47/56/518434756.db2.gz RVJYLDHUYVFMJC-LJQANCHMSA-N 1 2 356.495 2.875 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000584776578 518472315 /nfs/dbraw/zinc/47/23/15/518472315.db2.gz GJYGJTWNLOQION-GUYCJALGSA-N 1 2 360.845 2.916 20 30 FFEDLO C[N@@H+](Cc1nc(C#N)cs1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000584812138 518487540 /nfs/dbraw/zinc/48/75/40/518487540.db2.gz MLOVDLGLUIQCNO-ZDUSSCGKSA-N 1 2 371.384 2.905 20 30 FFEDLO C[N@H+](Cc1nc(C#N)cs1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000584812138 518487544 /nfs/dbraw/zinc/48/75/44/518487544.db2.gz MLOVDLGLUIQCNO-ZDUSSCGKSA-N 1 2 371.384 2.905 20 30 FFEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccc(I)c1 ZINC000582011387 518546263 /nfs/dbraw/zinc/54/62/63/518546263.db2.gz AGFBXINEVHKOFD-PWSUYJOCSA-N 1 2 371.222 2.900 20 30 FFEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000582011385 518546818 /nfs/dbraw/zinc/54/68/18/518546818.db2.gz AGFBXINEVHKOFD-CMPLNLGQSA-N 1 2 371.222 2.900 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1C#N ZINC000564706300 518572910 /nfs/dbraw/zinc/57/29/10/518572910.db2.gz WMUBTDLEVALCLX-UHFFFAOYSA-N 1 2 363.417 2.608 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1C#N ZINC000564706300 518572912 /nfs/dbraw/zinc/57/29/12/518572912.db2.gz WMUBTDLEVALCLX-UHFFFAOYSA-N 1 2 363.417 2.608 20 30 FFEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000585799770 518606636 /nfs/dbraw/zinc/60/66/36/518606636.db2.gz NIDXHEUBPQXZPY-OKZBNKHCSA-N 1 2 368.437 2.624 20 30 FFEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000585799770 518606642 /nfs/dbraw/zinc/60/66/42/518606642.db2.gz NIDXHEUBPQXZPY-OKZBNKHCSA-N 1 2 368.437 2.624 20 30 FFEDLO N#Cc1cccc(F)c1CC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000579505765 518713259 /nfs/dbraw/zinc/71/32/59/518713259.db2.gz VASHVLGAOXXGJK-UHFFFAOYSA-N 1 2 355.388 2.723 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@H]1C(=O)OC(C)(C)C ZINC000573608667 518748887 /nfs/dbraw/zinc/74/88/87/518748887.db2.gz AOQMLZPYJYWEOE-CZUORRHYSA-N 1 2 355.442 2.543 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@H]1C(=O)OC(C)(C)C ZINC000573608667 518748894 /nfs/dbraw/zinc/74/88/94/518748894.db2.gz AOQMLZPYJYWEOE-CZUORRHYSA-N 1 2 355.442 2.543 20 30 FFEDLO N#Cc1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c([N+](=O)[O-])c1 ZINC000565050025 518762976 /nfs/dbraw/zinc/76/29/76/518762976.db2.gz WGZOOMZVIFGVLD-UHFFFAOYSA-N 1 2 368.368 2.869 20 30 FFEDLO N#Cc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c([N+](=O)[O-])c1 ZINC000565050025 518762982 /nfs/dbraw/zinc/76/29/82/518762982.db2.gz WGZOOMZVIFGVLD-UHFFFAOYSA-N 1 2 368.368 2.869 20 30 FFEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1cc(Cl)ccc1C#N ZINC000588831458 518841528 /nfs/dbraw/zinc/84/15/28/518841528.db2.gz XBEGFTHPEKRHNA-RDJZCZTQSA-N 1 2 361.852 2.994 20 30 FFEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1cc(Cl)ccc1C#N ZINC000588831458 518841533 /nfs/dbraw/zinc/84/15/33/518841533.db2.gz XBEGFTHPEKRHNA-RDJZCZTQSA-N 1 2 361.852 2.994 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCn2cc[nH+]c2C1 ZINC000582937765 518993960 /nfs/dbraw/zinc/99/39/60/518993960.db2.gz MUNUHPDPCBFRQX-RDJZCZTQSA-N 1 2 370.501 2.990 20 30 FFEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cnc1C(F)(F)F ZINC000583096776 519076190 /nfs/dbraw/zinc/07/61/90/519076190.db2.gz RRGISPZDMNVVDF-UHFFFAOYSA-N 1 2 374.366 2.930 20 30 FFEDLO CC1(C)C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000590014354 519129724 /nfs/dbraw/zinc/12/97/24/519129724.db2.gz SUJQEDCEJBQRBG-ZBFHGGJFSA-N 1 2 372.387 2.534 20 30 FFEDLO CC1(C)C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000590014354 519129731 /nfs/dbraw/zinc/12/97/31/519129731.db2.gz SUJQEDCEJBQRBG-ZBFHGGJFSA-N 1 2 372.387 2.534 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000580370538 519139464 /nfs/dbraw/zinc/13/94/64/519139464.db2.gz MVRPZNRGVLEOSS-MJGOQNOKSA-N 1 2 352.425 2.887 20 30 FFEDLO COc1ccc([C@@H](NC(=O)c2ncc(C#N)cc2C)c2[nH+]ccn2C)cc1 ZINC000590138775 519159746 /nfs/dbraw/zinc/15/97/46/519159746.db2.gz OFMUHORAXZXQEE-GOSISDBHSA-N 1 2 361.405 2.523 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000590168897 519166654 /nfs/dbraw/zinc/16/66/54/519166654.db2.gz WFWFSUULPWKGHJ-UXPWSPDFSA-N 1 2 372.488 2.653 20 30 FFEDLO N#Cc1ccsc1NC(=O)CN1CCC(CCCn2cc[nH+]c2)CC1 ZINC000580474879 519194469 /nfs/dbraw/zinc/19/44/69/519194469.db2.gz RURWKBFPQXHRDO-UHFFFAOYSA-N 1 2 357.483 2.947 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000583417796 519235211 /nfs/dbraw/zinc/23/52/11/519235211.db2.gz YGHXPRVFUDMJOO-DYVFJYSZSA-N 1 2 354.385 2.573 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000583417796 519235216 /nfs/dbraw/zinc/23/52/16/519235216.db2.gz YGHXPRVFUDMJOO-DYVFJYSZSA-N 1 2 354.385 2.573 20 30 FFEDLO N#CC1(CNC(=O)C2CCN(c3ccc4cccc(O)c4[nH+]3)CC2)CC1 ZINC000571742129 519250221 /nfs/dbraw/zinc/25/02/21/519250221.db2.gz OFRGXNLHRVCJEY-UHFFFAOYSA-N 1 2 350.422 2.577 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC(CC#N)CC1)c1cccc(F)c1 ZINC000580614596 519264135 /nfs/dbraw/zinc/26/41/35/519264135.db2.gz PVUWKYBEJRBHQD-KRWDZBQOSA-N 1 2 355.417 2.984 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)CC2(CCOCC2)O1 ZINC000568955094 519300625 /nfs/dbraw/zinc/30/06/25/519300625.db2.gz XVTZRZVVQIOOSR-CYBMUJFWSA-N 1 2 352.381 2.930 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC2(CCOCC2)O1 ZINC000568955094 519300629 /nfs/dbraw/zinc/30/06/29/519300629.db2.gz XVTZRZVVQIOOSR-CYBMUJFWSA-N 1 2 352.381 2.930 20 30 FFEDLO COc1cc(OC)c2ncc(C#N)c(N(C)CCCn3cc[nH+]c3)c2c1 ZINC000569032534 519340357 /nfs/dbraw/zinc/34/03/57/519340357.db2.gz RZLMREGUKGQDBJ-UHFFFAOYSA-N 1 2 351.410 2.847 20 30 FFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)NCc1ccc(CC#N)cc1 ZINC000566160318 519340839 /nfs/dbraw/zinc/34/08/39/519340839.db2.gz YZTOOLYLNPVBQO-UHFFFAOYSA-N 1 2 365.359 2.853 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000578073991 519403976 /nfs/dbraw/zinc/40/39/76/519403976.db2.gz GKGBOJMJDQPSAO-KRWDZBQOSA-N 1 2 362.886 2.966 20 30 FFEDLO CC(C)(C#N)CCS(=O)(=O)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000580986736 519461718 /nfs/dbraw/zinc/46/17/18/519461718.db2.gz GFYWIRJEZLRXNP-UHFFFAOYSA-N 1 2 370.272 2.951 20 30 FFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N2CCC(CCC#N)CC2)c1 ZINC000569482282 519574813 /nfs/dbraw/zinc/57/48/13/519574813.db2.gz ATPWPXJUROFZHI-UHFFFAOYSA-N 1 2 365.437 2.568 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856230 519929484 /nfs/dbraw/zinc/92/94/84/519929484.db2.gz JHUXVARXNRWJRB-MJBXVCDLSA-N 1 2 366.412 2.533 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856230 519929492 /nfs/dbraw/zinc/92/94/92/519929492.db2.gz JHUXVARXNRWJRB-MJBXVCDLSA-N 1 2 366.412 2.533 20 30 FFEDLO C[C@@H]1C[NH+](CC(=O)N(Cc2ccco2)c2ccccc2)C[C@@H](C)N1CC#N ZINC000602857880 519931729 /nfs/dbraw/zinc/93/17/29/519931729.db2.gz WMHAHWNTRPSUCC-QZTJIDSGSA-N 1 2 366.465 2.731 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602859203 519931954 /nfs/dbraw/zinc/93/19/54/519931954.db2.gz XIPDOGKMVQALSM-MGPQQGTHSA-N 1 2 368.403 2.951 20 30 FFEDLO CC[C@H](C(=O)NC1(c2ccc(C#N)cc2)CCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000594403844 519943418 /nfs/dbraw/zinc/94/34/18/519943418.db2.gz QKKKVPHCGSCZLC-RTBURBONSA-N 1 2 355.482 2.943 20 30 FFEDLO CC[C@H](C(=O)NC1(c2ccc(C#N)cc2)CCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000594403844 519943426 /nfs/dbraw/zinc/94/34/26/519943426.db2.gz QKKKVPHCGSCZLC-RTBURBONSA-N 1 2 355.482 2.943 20 30 FFEDLO CCn1nc(C)c(C[N@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)c1C ZINC000602924567 519974482 /nfs/dbraw/zinc/97/44/82/519974482.db2.gz FPNQKZMIKFZFBH-MRXNPFEDSA-N 1 2 357.483 2.690 20 30 FFEDLO CCn1nc(C)c(C[N@@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)c1C ZINC000602924567 519974492 /nfs/dbraw/zinc/97/44/92/519974492.db2.gz FPNQKZMIKFZFBH-MRXNPFEDSA-N 1 2 357.483 2.690 20 30 FFEDLO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602975746 519999802 /nfs/dbraw/zinc/99/98/02/519999802.db2.gz GRXIDXOCXQLUQS-IRXDYDNUSA-N 1 2 359.470 2.676 20 30 FFEDLO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602975746 519999807 /nfs/dbraw/zinc/99/98/07/519999807.db2.gz GRXIDXOCXQLUQS-IRXDYDNUSA-N 1 2 359.470 2.676 20 30 FFEDLO C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)[C@@H]1CCC[C@@H]1C#N ZINC000602978761 520002901 /nfs/dbraw/zinc/00/29/01/520002901.db2.gz WDDSEZRFVMCNED-BXUZGUMPSA-N 1 2 361.243 2.581 20 30 FFEDLO C[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)[C@@H]1CCC[C@@H]1C#N ZINC000602978761 520002912 /nfs/dbraw/zinc/00/29/12/520002912.db2.gz WDDSEZRFVMCNED-BXUZGUMPSA-N 1 2 361.243 2.581 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)CC2(C#N)CCOCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000597469287 520048166 /nfs/dbraw/zinc/04/81/66/520048166.db2.gz VRFMYLICSMHNIW-WMZOPIPTSA-N 1 2 363.408 2.537 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)CC2(C#N)CCOCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000597469287 520048171 /nfs/dbraw/zinc/04/81/71/520048171.db2.gz VRFMYLICSMHNIW-WMZOPIPTSA-N 1 2 363.408 2.537 20 30 FFEDLO Cn1cc[nH+]c1CN1CCN(c2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000591911116 520082203 /nfs/dbraw/zinc/08/22/03/520082203.db2.gz GFKBUXYWVKJBKI-UHFFFAOYSA-N 1 2 366.856 2.816 20 30 FFEDLO N#Cc1ccccc1Cn1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000603174209 520136633 /nfs/dbraw/zinc/13/66/33/520136633.db2.gz QNYDNTYMELTHTF-UHFFFAOYSA-N 1 2 358.449 2.520 20 30 FFEDLO N#Cc1cc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)ccc1OC(F)(F)F ZINC000597620305 520141117 /nfs/dbraw/zinc/14/11/17/520141117.db2.gz HIWQEKSFEGJCQZ-VIFPVBQESA-N 1 2 350.300 2.924 20 30 FFEDLO N#Cc1cc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)ccc1OC(F)(F)F ZINC000597620305 520141125 /nfs/dbraw/zinc/14/11/25/520141125.db2.gz HIWQEKSFEGJCQZ-VIFPVBQESA-N 1 2 350.300 2.924 20 30 FFEDLO C[C@@H](NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)c1cccc(C#N)c1 ZINC000603293659 520201982 /nfs/dbraw/zinc/20/19/82/520201982.db2.gz CRZOSILKXCEWNQ-CQSZACIVSA-N 1 2 355.463 2.586 20 30 FFEDLO C[C@@H](NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)c1cccc(C#N)c1 ZINC000603293659 520201988 /nfs/dbraw/zinc/20/19/88/520201988.db2.gz CRZOSILKXCEWNQ-CQSZACIVSA-N 1 2 355.463 2.586 20 30 FFEDLO COc1ccc(-c2nc(C[N@@H+]3CC[C@@](O)(CC#N)C3)cs2)cc1OC ZINC000592145887 520224986 /nfs/dbraw/zinc/22/49/86/520224986.db2.gz APIMPGUHOHORIW-SFHVURJKSA-N 1 2 359.451 2.678 20 30 FFEDLO COc1ccc(-c2nc(C[N@H+]3CC[C@@](O)(CC#N)C3)cs2)cc1OC ZINC000592145887 520224992 /nfs/dbraw/zinc/22/49/92/520224992.db2.gz APIMPGUHOHORIW-SFHVURJKSA-N 1 2 359.451 2.678 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149552 520225485 /nfs/dbraw/zinc/22/54/85/520225485.db2.gz QXSAUCSXOBPXDJ-HTAPYJJXSA-N 1 2 363.461 2.955 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149552 520225490 /nfs/dbraw/zinc/22/54/90/520225490.db2.gz QXSAUCSXOBPXDJ-HTAPYJJXSA-N 1 2 363.461 2.955 20 30 FFEDLO C=CC[N@@H+](Cc1occc1C(=O)OC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000609431532 520311102 /nfs/dbraw/zinc/31/11/02/520311102.db2.gz FOSLGZFOOIESBZ-CQSZACIVSA-N 1 2 367.409 2.791 20 30 FFEDLO C=CC[N@H+](Cc1occc1C(=O)OC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000609431532 520311111 /nfs/dbraw/zinc/31/11/11/520311111.db2.gz FOSLGZFOOIESBZ-CQSZACIVSA-N 1 2 367.409 2.791 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000609484298 520326719 /nfs/dbraw/zinc/32/67/19/520326719.db2.gz ACCUHJGUOSQOLO-YLJYHZDGSA-N 1 2 354.498 2.520 20 30 FFEDLO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609485655 520328005 /nfs/dbraw/zinc/32/80/05/520328005.db2.gz UQFXTUKLCOTZHD-WOJBJXKFSA-N 1 2 356.514 2.762 20 30 FFEDLO COC(=O)c1cc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)oc1C ZINC000603784572 520359644 /nfs/dbraw/zinc/35/96/44/520359644.db2.gz UCZZJMBZKNEYLR-UHFFFAOYSA-N 1 2 353.422 2.564 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)oc1C ZINC000603784572 520359652 /nfs/dbraw/zinc/35/96/52/520359652.db2.gz UCZZJMBZKNEYLR-UHFFFAOYSA-N 1 2 353.422 2.564 20 30 FFEDLO C[C@H]1C[N@H+](CCNC(=O)c2cn(CCCC#N)c3ccccc23)[C@@H](C)CO1 ZINC000598000723 520369098 /nfs/dbraw/zinc/36/90/98/520369098.db2.gz ZHZKECBSSCVSMV-IRXDYDNUSA-N 1 2 368.481 2.784 20 30 FFEDLO C[C@H]1C[N@@H+](CCNC(=O)c2cn(CCCC#N)c3ccccc23)[C@@H](C)CO1 ZINC000598000723 520369106 /nfs/dbraw/zinc/36/91/06/520369106.db2.gz ZHZKECBSSCVSMV-IRXDYDNUSA-N 1 2 368.481 2.784 20 30 FFEDLO N#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000609600630 520372866 /nfs/dbraw/zinc/37/28/66/520372866.db2.gz PLRYLMYEYKRCHF-OAHLLOKOSA-N 1 2 365.324 2.914 20 30 FFEDLO N#Cc1ccc([C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C(N)=O)cc1 ZINC000609671684 520401755 /nfs/dbraw/zinc/40/17/55/520401755.db2.gz MKPVVPIJALADNL-KRWDZBQOSA-N 1 2 371.824 2.689 20 30 FFEDLO CCc1ccc([C@@H]2COCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)o1 ZINC000609926764 520483984 /nfs/dbraw/zinc/48/39/84/520483984.db2.gz XVHDMAVHLCJKFN-XLIONFOSSA-N 1 2 370.449 2.721 20 30 FFEDLO CCc1ccc([C@@H]2COCC[N@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)o1 ZINC000609926764 520483988 /nfs/dbraw/zinc/48/39/88/520483988.db2.gz XVHDMAVHLCJKFN-XLIONFOSSA-N 1 2 370.449 2.721 20 30 FFEDLO CCCCCNC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000600830153 520491567 /nfs/dbraw/zinc/49/15/67/520491567.db2.gz QRJBXNYJTZQTRB-QFBILLFUSA-N 1 2 360.477 2.703 20 30 FFEDLO CCN(CCC#N)C(=O)C[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604276921 520505257 /nfs/dbraw/zinc/50/52/57/520505257.db2.gz YMLZTPSIXZEQEC-QWRGUYRKSA-N 1 2 359.314 2.811 20 30 FFEDLO Cc1cccc2[nH+]c(CCNC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)cn21 ZINC000592745261 520553730 /nfs/dbraw/zinc/55/37/30/520553730.db2.gz DFRJUALVMDLUAK-FQEVSTJZSA-N 1 2 373.460 2.842 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)ccc1[N+](=O)[O-] ZINC000595630418 520607592 /nfs/dbraw/zinc/60/75/92/520607592.db2.gz XQGHAGFPWBIWMG-UHFFFAOYSA-N 1 2 358.423 2.859 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1cnc2c(cccc2C(F)(F)F)c1 ZINC000592997894 520676328 /nfs/dbraw/zinc/67/63/28/520676328.db2.gz LWVMIIUDSRLJNG-ZDUSSCGKSA-N 1 2 353.344 2.839 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cnc2c(cccc2C(F)(F)F)c1 ZINC000592997894 520676332 /nfs/dbraw/zinc/67/63/32/520676332.db2.gz LWVMIIUDSRLJNG-ZDUSSCGKSA-N 1 2 353.344 2.839 20 30 FFEDLO C=CC[C@H]1CCCN(C(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000617782258 520715159 /nfs/dbraw/zinc/71/51/59/520715159.db2.gz BHJWHDOCCWKGRO-INIZCTEOSA-N 1 2 358.482 2.877 20 30 FFEDLO C=CC[C@H]1CCCN(C(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000617782258 520715165 /nfs/dbraw/zinc/71/51/65/520715165.db2.gz BHJWHDOCCWKGRO-INIZCTEOSA-N 1 2 358.482 2.877 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCc3ccco3)CC2)cc1 ZINC000595828314 520750655 /nfs/dbraw/zinc/75/06/55/520750655.db2.gz JYOWIQQUKKDTJX-UHFFFAOYSA-N 1 2 352.438 2.611 20 30 FFEDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593119643 520759324 /nfs/dbraw/zinc/75/93/24/520759324.db2.gz DTSIMAVDQWETKD-UHFFFAOYSA-N 1 2 366.377 2.819 20 30 FFEDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593119643 520759329 /nfs/dbraw/zinc/75/93/29/520759329.db2.gz DTSIMAVDQWETKD-UHFFFAOYSA-N 1 2 366.377 2.819 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](C(F)F)C2CCCCC2)nc1 ZINC000598650789 520761412 /nfs/dbraw/zinc/76/14/12/520761412.db2.gz ZOGNESZAVSNNHJ-HNNXBMFYSA-N 1 2 357.426 2.531 20 30 FFEDLO CCc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2c(CC(C)(C)C)noc2n1 ZINC000593153333 520785389 /nfs/dbraw/zinc/78/53/89/520785389.db2.gz WVBKBDOAYHTTKF-HXUWFJFHSA-N 1 2 371.485 2.947 20 30 FFEDLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2cc(C#N)ncn2)CC1 ZINC000617956208 520801078 /nfs/dbraw/zinc/80/10/78/520801078.db2.gz AAKPAMFZXPIYGQ-ZDUSSCGKSA-N 1 2 372.270 2.994 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)NCC3(C#N)CCCC3)c[nH+]2)C[C@@H](C)O1 ZINC000593301938 520895654 /nfs/dbraw/zinc/89/56/54/520895654.db2.gz AJTURPITDHQQAD-HZPDHXFCSA-N 1 2 371.485 2.578 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc(O)cc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000614304870 520900048 /nfs/dbraw/zinc/90/00/48/520900048.db2.gz VYHABTSJDASWNT-QZTJIDSGSA-N 1 2 357.360 2.717 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)c2cc(O)cc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000614304870 520900050 /nfs/dbraw/zinc/90/00/50/520900050.db2.gz VYHABTSJDASWNT-QZTJIDSGSA-N 1 2 357.360 2.717 20 30 FFEDLO N#CCn1c(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)cc2ccccc21 ZINC000601726595 520921453 /nfs/dbraw/zinc/92/14/53/520921453.db2.gz CCIZCFJQAWHVSE-UHFFFAOYSA-N 1 2 374.444 2.828 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610994996 520936220 /nfs/dbraw/zinc/93/62/20/520936220.db2.gz RLDMYWJVLLPIIQ-SFHVURJKSA-N 1 2 350.422 2.873 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994996 520936227 /nfs/dbraw/zinc/93/62/27/520936227.db2.gz RLDMYWJVLLPIIQ-SFHVURJKSA-N 1 2 350.422 2.873 20 30 FFEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000611016309 520948395 /nfs/dbraw/zinc/94/83/95/520948395.db2.gz WNMSCPROJZZKAU-UHFFFAOYSA-N 1 2 361.854 2.506 20 30 FFEDLO N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000593448705 520999552 /nfs/dbraw/zinc/99/95/52/520999552.db2.gz WFLUFQYXRVRUTO-ZDUSSCGKSA-N 1 2 373.254 2.993 20 30 FFEDLO N#CCCN1CC[NH+](CC(=O)N(c2ccccc2)C2CCCCC2)CC1 ZINC000611173837 521023952 /nfs/dbraw/zinc/02/39/52/521023952.db2.gz NDSVOOSBTDUEBH-UHFFFAOYSA-N 1 2 354.498 2.884 20 30 FFEDLO CC(C)Oc1cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc1Br ZINC000601967567 521047050 /nfs/dbraw/zinc/04/70/50/521047050.db2.gz HGLCYTNMOJYXFG-CQSZACIVSA-N 1 2 370.291 2.855 20 30 FFEDLO CC(C)Oc1cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc1Br ZINC000601967567 521047056 /nfs/dbraw/zinc/04/70/56/521047056.db2.gz HGLCYTNMOJYXFG-CQSZACIVSA-N 1 2 370.291 2.855 20 30 FFEDLO Cc1ccc([C@H](CNS(=O)(=O)c2ccsc2C#N)[NH+]2CCCC2)o1 ZINC000593539735 521062621 /nfs/dbraw/zinc/06/26/21/521062621.db2.gz GFDDDKPJIXWEEE-ZDUSSCGKSA-N 1 2 365.480 2.637 20 30 FFEDLO Cc1ccc([C@@H](CNS(=O)(=O)c2ccsc2C#N)[NH+]2CCCC2)o1 ZINC000593539733 521062960 /nfs/dbraw/zinc/06/29/60/521062960.db2.gz GFDDDKPJIXWEEE-CYBMUJFWSA-N 1 2 365.480 2.637 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000599230786 521100288 /nfs/dbraw/zinc/10/02/88/521100288.db2.gz VQQRMLGCHNCYIZ-UHFFFAOYSA-N 1 2 370.280 2.610 20 30 FFEDLO N#CCC[C@@H](NC(=O)N(CC[NH+]1CCOCC1)CC1CC1)c1ccccc1 ZINC000596503251 521102880 /nfs/dbraw/zinc/10/28/80/521102880.db2.gz JNRXQRNQCOTENN-HXUWFJFHSA-N 1 2 370.497 2.785 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCCC34CC4)CC2)cc1 ZINC000599240598 521104634 /nfs/dbraw/zinc/10/46/34/521104634.db2.gz BSALXRQJBUAWAC-IBGZPJMESA-N 1 2 352.482 2.966 20 30 FFEDLO Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1C#N ZINC000599260147 521115743 /nfs/dbraw/zinc/11/57/43/521115743.db2.gz ATBMQEBTFBNNPM-UHFFFAOYSA-N 1 2 366.440 2.762 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1CCc1nc(Cc2c[nH+]ccc2C)no1 ZINC000596617989 521168433 /nfs/dbraw/zinc/16/84/33/521168433.db2.gz ZJNDZZQKIHXVDE-UHFFFAOYSA-N 1 2 350.426 2.876 20 30 FFEDLO CCc1c[nH]c(CC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)[nH+]1 ZINC000602144138 521171181 /nfs/dbraw/zinc/17/11/81/521171181.db2.gz NGMSUZBCBCVPAB-KRWDZBQOSA-N 1 2 371.872 2.577 20 30 FFEDLO CC(C)C[C@@H](C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)n1cc[nH+]c1 ZINC000602146070 521172502 /nfs/dbraw/zinc/17/25/02/521172502.db2.gz UAASYEBMFQWDHR-KRWDZBQOSA-N 1 2 366.400 2.727 20 30 FFEDLO COC(=O)c1oc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1C ZINC000611552121 521214942 /nfs/dbraw/zinc/21/49/42/521214942.db2.gz PFSZORJBTNKUCS-SFHVURJKSA-N 1 2 371.412 2.896 20 30 FFEDLO Cc1cn2cc(NC(=O)N3CCN(c4ccsc4C#N)CC3)ccc2[nH+]1 ZINC000596722300 521243095 /nfs/dbraw/zinc/24/30/95/521243095.db2.gz SYNPOGWEEPMRIV-UHFFFAOYSA-N 1 2 366.450 2.930 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)nn1 ZINC000593960916 521315864 /nfs/dbraw/zinc/31/58/64/521315864.db2.gz CSZJSULVTQUBCX-UHFFFAOYSA-N 1 2 364.453 2.577 20 30 FFEDLO COCCc1ncc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)s1 ZINC000602422989 521335323 /nfs/dbraw/zinc/33/53/23/521335323.db2.gz AYNXRSGBSWXDLQ-GOSISDBHSA-N 1 2 356.495 2.714 20 30 FFEDLO CCOC(=O)c1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)on1 ZINC000602453233 521355437 /nfs/dbraw/zinc/35/54/37/521355437.db2.gz JNJJQOBQBBPXNK-UHFFFAOYSA-N 1 2 355.394 2.766 20 30 FFEDLO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675018 521389779 /nfs/dbraw/zinc/38/97/79/521389779.db2.gz GZBMOMDACNFNHU-HNAYVOBHSA-N 1 2 368.481 2.515 20 30 FFEDLO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675018 521389786 /nfs/dbraw/zinc/38/97/86/521389786.db2.gz GZBMOMDACNFNHU-HNAYVOBHSA-N 1 2 368.481 2.515 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+](CCS(=O)(=O)c1ccc(F)cc1)C2 ZINC000599677677 521393374 /nfs/dbraw/zinc/39/33/74/521393374.db2.gz JLARBDKBAHHELF-UHFFFAOYSA-N 1 2 358.438 2.724 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+](CCS(=O)(=O)c1ccc(F)cc1)C2 ZINC000599677677 521393382 /nfs/dbraw/zinc/39/33/82/521393382.db2.gz JLARBDKBAHHELF-UHFFFAOYSA-N 1 2 358.438 2.724 20 30 FFEDLO COC(=O)[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)Cc2ccccc21 ZINC000599680803 521394401 /nfs/dbraw/zinc/39/44/01/521394401.db2.gz RSWRFMKHQRBQMC-KUHUBIRLSA-N 1 2 363.417 2.658 20 30 FFEDLO COC(=O)[C@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)Cc2ccccc21 ZINC000599680803 521394407 /nfs/dbraw/zinc/39/44/07/521394407.db2.gz RSWRFMKHQRBQMC-KUHUBIRLSA-N 1 2 363.417 2.658 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(C#N)c(F)c1 ZINC000599684073 521398975 /nfs/dbraw/zinc/39/89/75/521398975.db2.gz ZANKPTNPYYSIGK-UHFFFAOYSA-N 1 2 355.369 2.539 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(C#N)c(F)c1 ZINC000599684073 521398981 /nfs/dbraw/zinc/39/89/81/521398981.db2.gz ZANKPTNPYYSIGK-UHFFFAOYSA-N 1 2 355.369 2.539 20 30 FFEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000599685867 521401175 /nfs/dbraw/zinc/40/11/75/521401175.db2.gz ZECHXOSBSDHMOF-QGZVFWFLSA-N 1 2 351.362 2.739 20 30 FFEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000599685867 521401184 /nfs/dbraw/zinc/40/11/84/521401184.db2.gz ZECHXOSBSDHMOF-QGZVFWFLSA-N 1 2 351.362 2.739 20 30 FFEDLO CCC(C#N)(CC)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000599693126 521406991 /nfs/dbraw/zinc/40/69/91/521406991.db2.gz WNRJSMZIBIRNEU-UHFFFAOYSA-N 1 2 362.905 2.908 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000619141352 521414544 /nfs/dbraw/zinc/41/45/44/521414544.db2.gz BNQMYTLSALJLRQ-WOJBJXKFSA-N 1 2 362.433 2.602 20 30 FFEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@@](F)(C#N)C3)n2)C1 ZINC000615522006 521428633 /nfs/dbraw/zinc/42/86/33/521428633.db2.gz PQNLOUHZYMTYII-BLLLJJGKSA-N 1 2 351.451 2.844 20 30 FFEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@@](F)(C#N)C3)n2)C1 ZINC000615522006 521428642 /nfs/dbraw/zinc/42/86/42/521428642.db2.gz PQNLOUHZYMTYII-BLLLJJGKSA-N 1 2 351.451 2.844 20 30 FFEDLO COc1cc(NC(=O)NCC[NH+]2Cc3ccccc3C2)c(F)cc1C#N ZINC000599815959 521488694 /nfs/dbraw/zinc/48/86/94/521488694.db2.gz CVYAOFHRMYWORS-UHFFFAOYSA-N 1 2 354.385 2.843 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)c(OC)c1OC ZINC000597182972 521563397 /nfs/dbraw/zinc/56/33/97/521563397.db2.gz GZQVVUNGRSBHCV-UHFFFAOYSA-N 1 2 373.478 2.968 20 30 FFEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)Cc2noc(C)c2C#N)CC1 ZINC000619450661 521575959 /nfs/dbraw/zinc/57/59/59/521575959.db2.gz LVUUHGNGXHLCQR-UHFFFAOYSA-N 1 2 363.421 2.919 20 30 FFEDLO Cn1cc(C[N@@H+]2CC[C@](C)(C#N)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000597229189 521585317 /nfs/dbraw/zinc/58/53/17/521585317.db2.gz JPQNJDLBXNPLDK-HXUWFJFHSA-N 1 2 352.438 2.984 20 30 FFEDLO Cn1cc(C[N@H+]2CC[C@](C)(C#N)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000597229189 521585322 /nfs/dbraw/zinc/58/53/22/521585322.db2.gz JPQNJDLBXNPLDK-HXUWFJFHSA-N 1 2 352.438 2.984 20 30 FFEDLO N#CC1(c2ccc(C[N@H+]3CCc4sc(S(N)(=O)=O)cc4C3)cc2)CC1 ZINC000597239613 521591030 /nfs/dbraw/zinc/59/10/30/521591030.db2.gz OKGZNPJVIZUGOY-UHFFFAOYSA-N 1 2 373.503 2.509 20 30 FFEDLO N#CC1(c2ccc(C[N@@H+]3CCc4sc(S(N)(=O)=O)cc4C3)cc2)CC1 ZINC000597239613 521591036 /nfs/dbraw/zinc/59/10/36/521591036.db2.gz OKGZNPJVIZUGOY-UHFFFAOYSA-N 1 2 373.503 2.509 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH+]1CCC(F)(F)CC1 ZINC000619516034 521604828 /nfs/dbraw/zinc/60/48/28/521604828.db2.gz BTENIUJJTXISBJ-UHFFFAOYSA-N 1 2 368.428 2.683 20 30 FFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619769443 521862956 /nfs/dbraw/zinc/86/29/56/521862956.db2.gz NIPGZFUNGBVLPI-UHFFFAOYSA-N 1 2 369.856 2.947 20 30 FFEDLO C=CCOCCCNC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000624370002 522640206 /nfs/dbraw/zinc/64/02/06/522640206.db2.gz YXGAOUOKROOXSB-UHFFFAOYSA-N 1 2 356.470 2.588 20 30 FFEDLO CCc1nc([C@@H](C)[NH2+]CC#CCN2C(=O)c3ccccc3C2=O)cs1 ZINC000625323389 523350946 /nfs/dbraw/zinc/35/09/46/523350946.db2.gz WHQDVXWTKZEWGH-CYBMUJFWSA-N 1 2 353.447 2.656 20 30 FFEDLO C=C[C@@H](CC(=O)N1CC[NH+](CCc2cnccn2)CC1)c1ccccc1 ZINC000634509928 523464641 /nfs/dbraw/zinc/46/46/41/523464641.db2.gz GETHWTUPVKTGTC-SFHVURJKSA-N 1 2 350.466 2.523 20 30 FFEDLO C=CC(C)(C)CCNC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000628313747 523477998 /nfs/dbraw/zinc/47/79/98/523477998.db2.gz ZHISFRZRCOKPFJ-CRAIPNDOSA-N 1 2 360.502 2.828 20 30 FFEDLO C=CC[C@@H]1CC[N@@H+](CC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)C1 ZINC000625702232 523632701 /nfs/dbraw/zinc/63/27/01/523632701.db2.gz FUXNIWCNQQAIFA-IAGOWNOFSA-N 1 2 364.511 2.545 20 30 FFEDLO C=CC[C@@H]1CC[N@H+](CC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)C1 ZINC000625702232 523632712 /nfs/dbraw/zinc/63/27/12/523632712.db2.gz FUXNIWCNQQAIFA-IAGOWNOFSA-N 1 2 364.511 2.545 20 30 FFEDLO CN(C(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1)C1(C#N)CCCCC1 ZINC000057476712 535989493 /nfs/dbraw/zinc/98/94/93/535989493.db2.gz YGUSARNHHFKQEK-UHFFFAOYSA-N 1 2 358.461 2.633 20 30 FFEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)Cc2cn3ccccc3[nH+]2)n1 ZINC000511707654 561878616 /nfs/dbraw/zinc/87/86/16/561878616.db2.gz OLJSWILHMCBNTL-UHFFFAOYSA-N 1 2 360.352 2.712 20 30 FFEDLO CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000534056683 562524292 /nfs/dbraw/zinc/52/42/92/562524292.db2.gz HLIWBYTYWDFKNT-VBQJREDUSA-N 1 2 361.490 2.746 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C2(c3cc(C)cc(C)c3)CC2)c1C#N ZINC000534063493 562524481 /nfs/dbraw/zinc/52/44/81/562524481.db2.gz RHNUKAVGQCQSHY-UHFFFAOYSA-N 1 2 351.454 2.721 20 30 FFEDLO CSc1ccc(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)cc1C#N ZINC000899376260 735480552 /nfs/dbraw/zinc/48/05/52/735480552.db2.gz KVBPQILJTJAPER-MRXNPFEDSA-N 1 2 355.467 2.700 20 30 FFEDLO CSc1ccc(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)cc1C#N ZINC000899376260 735480553 /nfs/dbraw/zinc/48/05/53/735480553.db2.gz KVBPQILJTJAPER-MRXNPFEDSA-N 1 2 355.467 2.700 20 30 FFEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccco3)n(CC(C)C)c2=S)CC1 ZINC000044756710 727991868 /nfs/dbraw/zinc/99/18/68/727991868.db2.gz YZOOJCKEJNFRJS-UHFFFAOYSA-N 1 2 359.499 2.538 20 30 FFEDLO C#CCSCCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173283664 729043740 /nfs/dbraw/zinc/04/37/40/729043740.db2.gz CPEWELGGCDLNPV-UHFFFAOYSA-N 1 2 360.527 2.696 20 30 FFEDLO CC[C@H]1c2ccsc2CCN1C(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000183017957 729293646 /nfs/dbraw/zinc/29/36/46/729293646.db2.gz XFYSCNKYEPMDHF-HNNXBMFYSA-N 1 2 358.467 2.510 20 30 FFEDLO CCS(=O)(=O)Nc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1 ZINC000255370635 729638194 /nfs/dbraw/zinc/63/81/94/729638194.db2.gz CGKKRXSARMWZQF-KHPPLWFESA-N 1 2 355.419 2.992 20 30 FFEDLO CC#CC[NH2+]Cc1cn(Cc2csc(-c3cccc(OC)c3)n2)nn1 ZINC000640953868 730188837 /nfs/dbraw/zinc/18/88/37/730188837.db2.gz SLNIMAJLFLYVTQ-UHFFFAOYSA-N 1 2 353.451 2.571 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2nnc(-c3ccccc3F)s2)nn1 ZINC000641143889 730201952 /nfs/dbraw/zinc/20/19/52/730201952.db2.gz DFNQTNWFCJAGFO-LBPRGKRZSA-N 1 2 356.430 2.658 20 30 FFEDLO N#C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1c(Cl)cccc1Cl ZINC000865198511 730923863 /nfs/dbraw/zinc/92/38/63/730923863.db2.gz JVHJLXRPKJTJQI-IWZWCOEHSA-N 1 2 354.237 2.563 20 30 FFEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000867679908 731212770 /nfs/dbraw/zinc/21/27/70/731212770.db2.gz QUJWGBONJFJIHZ-UHFFFAOYSA-N 1 2 363.414 2.714 20 30 FFEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)CC1 ZINC000869397921 731395359 /nfs/dbraw/zinc/39/53/59/731395359.db2.gz KJRBBKKQOXGYEF-OTVXOJSOSA-N 1 2 359.388 2.813 20 30 FFEDLO C[N@H+](CCOCCNC(=O)OC(C)(C)C)Cc1cc(C#N)cnc1Cl ZINC000877657380 732406993 /nfs/dbraw/zinc/40/69/93/732406993.db2.gz ZBNQCRGKNISELL-UHFFFAOYSA-N 1 2 368.865 2.580 20 30 FFEDLO C[N@@H+](CCOCCNC(=O)OC(C)(C)C)Cc1cc(C#N)cnc1Cl ZINC000877657380 732406997 /nfs/dbraw/zinc/40/69/97/732406997.db2.gz ZBNQCRGKNISELL-UHFFFAOYSA-N 1 2 368.865 2.580 20 30 FFEDLO C=C(C)C[C@@H](CO)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000878012749 732467796 /nfs/dbraw/zinc/46/77/96/732467796.db2.gz UPPNSAVIVUCODW-KBPBESRZSA-N 1 2 352.504 2.824 20 30 FFEDLO C=C(C)C[C@@H](CO)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000878012749 732467800 /nfs/dbraw/zinc/46/78/00/732467800.db2.gz UPPNSAVIVUCODW-KBPBESRZSA-N 1 2 352.504 2.824 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ncccc3Br)C2)nc1 ZINC000878642143 732570584 /nfs/dbraw/zinc/57/05/84/732570584.db2.gz XBEHGODKMYCYEN-CYBMUJFWSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ncccc3Br)C2)nc1 ZINC000878642143 732570586 /nfs/dbraw/zinc/57/05/86/732570586.db2.gz XBEHGODKMYCYEN-CYBMUJFWSA-N 1 2 359.227 2.764 20 30 FFEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCN(Cc3ccc(Br)cc3)C(=O)C2)C1 ZINC000879101238 732645891 /nfs/dbraw/zinc/64/58/91/732645891.db2.gz FYEZUEFYESXWQM-HOCLYGCPSA-N 1 2 362.271 2.786 20 30 FFEDLO N#C[C@H]1CC[C@H]([N@H+]2CCN(Cc3ccc(Br)cc3)C(=O)C2)C1 ZINC000879101238 732645895 /nfs/dbraw/zinc/64/58/95/732645895.db2.gz FYEZUEFYESXWQM-HOCLYGCPSA-N 1 2 362.271 2.786 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000884139605 733485270 /nfs/dbraw/zinc/48/52/70/733485270.db2.gz XBYMDSMHOKCWKU-STQMWFEESA-N 1 2 357.237 2.544 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000884327291 733512740 /nfs/dbraw/zinc/51/27/40/733512740.db2.gz OQYCUWJINJLZCY-AWEZNQCLSA-N 1 2 366.845 2.904 20 30 FFEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2cc(C)c(C(=O)OCC)s2)CC1 ZINC000886755947 733826157 /nfs/dbraw/zinc/82/61/57/733826157.db2.gz XHFQSRUEGMHVHG-UHFFFAOYSA-N 1 2 366.483 2.575 20 30 FFEDLO C[C@@H]1C[C@@H](C)CN(C(=O)CO[NH+]=C(N)c2ccc(Br)cc2)C1 ZINC000782948165 738767288 /nfs/dbraw/zinc/76/72/88/738767288.db2.gz HUTSDHDPJCWGJD-VXGBXAGGSA-N 1 2 368.275 2.591 20 30 FFEDLO N#Cc1sc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)nc1Cl ZINC000888407045 734050706 /nfs/dbraw/zinc/05/07/06/734050706.db2.gz QAMFHAKSOUUYJF-UHFFFAOYSA-N 1 2 362.846 2.985 20 30 FFEDLO Cc1c(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cnn1CCC#N ZINC000889969656 734249075 /nfs/dbraw/zinc/24/90/75/734249075.db2.gz IBSRZUCCBWVDNI-AWEZNQCLSA-N 1 2 357.483 2.686 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1c2c(nn1C)CCOC2)c1ccc(Br)cc1 ZINC000894669689 734899000 /nfs/dbraw/zinc/89/90/00/734899000.db2.gz WYPBFNKUNRTZHC-OAHLLOKOSA-N 1 2 360.255 2.719 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2csc(C#N)c2)CCCO1 ZINC000894817326 734921597 /nfs/dbraw/zinc/92/15/97/734921597.db2.gz PUWXKVXWVZVCCR-CQSZACIVSA-N 1 2 351.472 2.735 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2csc(C#N)c2)CCCO1 ZINC000894817326 734921598 /nfs/dbraw/zinc/92/15/98/734921598.db2.gz PUWXKVXWVZVCCR-CQSZACIVSA-N 1 2 351.472 2.735 20 30 FFEDLO COC(=O)c1cnc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)s1 ZINC000895403855 735000891 /nfs/dbraw/zinc/00/08/91/735000891.db2.gz BSKNXKIUHNKELV-UHFFFAOYSA-N 1 2 357.435 2.597 20 30 FFEDLO C=CCC1(O)CC[NH+](Cc2cn(-c3ccc(F)cc3Cl)nn2)CC1 ZINC000895835624 735062025 /nfs/dbraw/zinc/06/20/25/735062025.db2.gz JGXHENVTRSQXQB-UHFFFAOYSA-N 1 2 350.825 2.963 20 30 FFEDLO C=CCC1(O)CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000895835791 735062164 /nfs/dbraw/zinc/06/21/64/735062164.db2.gz PGXYDLPOYSWBCK-UHFFFAOYSA-N 1 2 350.260 3.000 20 30 FFEDLO CS[C@H]1CC[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1 ZINC000742266963 735215993 /nfs/dbraw/zinc/21/59/93/735215993.db2.gz OMLVVWPZDHIHMC-OLZOCXBDSA-N 1 2 356.495 2.930 20 30 FFEDLO N#Cc1ccc(NC(=S)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1Cl ZINC000743006776 735269233 /nfs/dbraw/zinc/26/92/33/735269233.db2.gz JFAUZRCYMBDDQW-OAHLLOKOSA-N 1 2 364.902 2.705 20 30 FFEDLO C#CCNC(=O)C1CC[NH+](Cn2c3ccccc3n(CC)c2=S)CC1 ZINC000747795594 735591471 /nfs/dbraw/zinc/59/14/71/735591471.db2.gz BQSMRAWYSRFGCN-UHFFFAOYSA-N 1 2 356.495 2.611 20 30 FFEDLO Cn1ccnc(N=NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1=O ZINC000748079639 735615669 /nfs/dbraw/zinc/61/56/69/735615669.db2.gz IGMXRJUNVYCIPS-UHFFFAOYSA-N 1 2 363.824 2.637 20 30 FFEDLO N#Cc1ccc(C2CC[NH+](Cn3nnc(-c4cscn4)n3)CC2)cc1 ZINC000902593944 735966601 /nfs/dbraw/zinc/96/66/01/735966601.db2.gz OSWXMCLPYZEEFN-UHFFFAOYSA-N 1 2 351.439 2.505 20 30 FFEDLO N#CC[C@@H](NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)C(F)(F)F ZINC000928801186 738910750 /nfs/dbraw/zinc/91/07/50/738910750.db2.gz UOURNBAZCJIACD-CQSZACIVSA-N 1 2 351.332 2.570 20 30 FFEDLO O=C1Nc2c(cc(Cl)cc2Cl)C1=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753940221 736108664 /nfs/dbraw/zinc/10/86/64/736108664.db2.gz SHAVYHQDBJILAP-GHMZBOCLSA-N 1 2 352.225 2.510 20 30 FFEDLO Cc1[nH+]c[nH]c1CN=Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000755455848 736255088 /nfs/dbraw/zinc/25/50/88/736255088.db2.gz RAFDDJDCFGBKEA-UHFFFAOYSA-N 1 2 358.236 2.999 20 30 FFEDLO C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)c2ccc(OC)c(Cl)c2)CC1 ZINC000758460877 736491306 /nfs/dbraw/zinc/49/13/06/736491306.db2.gz JISVERYVJJJGML-ZDUSSCGKSA-N 1 2 363.841 2.808 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](C[C@@H](O)c3ccc(Cl)c(F)c3)CC2)n1 ZINC000760912960 736679409 /nfs/dbraw/zinc/67/94/09/736679409.db2.gz HTHYQGIHSLQWOG-QGZVFWFLSA-N 1 2 360.820 2.601 20 30 FFEDLO C=C(Cl)CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000766319646 737218889 /nfs/dbraw/zinc/21/88/89/737218889.db2.gz OWUHDIXIHDVWCK-CABCVRRESA-N 1 2 358.269 2.763 20 30 FFEDLO C=C(Cl)CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000766319646 737218892 /nfs/dbraw/zinc/21/88/92/737218892.db2.gz OWUHDIXIHDVWCK-CABCVRRESA-N 1 2 358.269 2.763 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000769834881 737571802 /nfs/dbraw/zinc/57/18/02/737571802.db2.gz MMFDNCVCHWLEPS-CQSZACIVSA-N 1 2 361.873 2.574 20 30 FFEDLO C=CCSc1nc2ccccc2n1C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000915838031 737658798 /nfs/dbraw/zinc/65/87/98/737658798.db2.gz WYWJJFJTVWSBBU-UHFFFAOYSA-N 1 2 356.495 2.826 20 30 FFEDLO C[NH+]1CCN(c2ccc(Nc3nccnc3C#N)cc2Br)CC1 ZINC000786826252 739080110 /nfs/dbraw/zinc/08/01/10/739080110.db2.gz FFBOMXTYVZAWHJ-UHFFFAOYSA-N 1 2 373.258 2.606 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc2ccccc2c(Cl)n1 ZINC000788481360 739249126 /nfs/dbraw/zinc/24/91/26/739249126.db2.gz IZZWQVXUCJTWPT-UHFFFAOYSA-N 1 2 358.873 2.936 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933653235 739667547 /nfs/dbraw/zinc/66/75/47/739667547.db2.gz RHXSAFSLPDXTEQ-GFCCVEGCSA-N 1 2 350.365 2.630 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000934785998 739841572 /nfs/dbraw/zinc/84/15/72/739841572.db2.gz WLIPBMKYAJHART-HZPDHXFCSA-N 1 2 372.412 2.808 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000934785998 739841578 /nfs/dbraw/zinc/84/15/78/739841578.db2.gz WLIPBMKYAJHART-HZPDHXFCSA-N 1 2 372.412 2.808 20 30 FFEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2)s1 ZINC000794690115 739920024 /nfs/dbraw/zinc/92/00/24/739920024.db2.gz HXRGDZWPXYGBIY-FPLPWBNLSA-N 1 2 357.479 2.937 20 30 FFEDLO N#CCc1cccc(OS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)c1 ZINC000799819122 740454568 /nfs/dbraw/zinc/45/45/68/740454568.db2.gz UVQDIUYUTXHKCW-UHFFFAOYSA-N 1 2 353.403 2.765 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](CCOc3ccc(F)cc3Cl)CC2)cn1 ZINC000801553656 740630037 /nfs/dbraw/zinc/63/00/37/740630037.db2.gz SICUJCHXQSQTCP-UHFFFAOYSA-N 1 2 360.820 2.947 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC(=C)Br ZINC000969028606 740727726 /nfs/dbraw/zinc/72/77/26/740727726.db2.gz YAQBIHYCLFDIIP-OAGGEKHMSA-N 1 2 371.319 2.847 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC(=C)Br ZINC000969028606 740727730 /nfs/dbraw/zinc/72/77/30/740727730.db2.gz YAQBIHYCLFDIIP-OAGGEKHMSA-N 1 2 371.319 2.847 20 30 FFEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC000970171280 740744970 /nfs/dbraw/zinc/74/49/70/740744970.db2.gz YBIHFMNKOZUJAF-IPELMVKDSA-N 1 2 362.901 2.966 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)c(F)c2)CC1 ZINC000981992999 741184247 /nfs/dbraw/zinc/18/42/47/741184247.db2.gz UKSHASJACWEHHH-QAPCUYQASA-N 1 2 350.409 2.590 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)c(F)c2)CC1 ZINC000981992999 741184248 /nfs/dbraw/zinc/18/42/48/741184248.db2.gz UKSHASJACWEHHH-QAPCUYQASA-N 1 2 350.409 2.590 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3OCC[C@H]3CC)CCC[C@@H]12 ZINC000991141154 741731581 /nfs/dbraw/zinc/73/15/81/741731581.db2.gz DKNJCHHHIQUHCO-PNBKFKSVSA-N 1 2 371.319 2.823 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@]2(NC(=O)[C@H]3OCC[C@H]3CC)CCC[C@@H]12 ZINC000991141154 741731583 /nfs/dbraw/zinc/73/15/83/741731583.db2.gz DKNJCHHHIQUHCO-PNBKFKSVSA-N 1 2 371.319 2.823 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccnc(Cl)n2)cc1 ZINC000817692441 742198172 /nfs/dbraw/zinc/19/81/72/742198172.db2.gz OOUHHIBVHSFMLW-HNNXBMFYSA-N 1 2 356.813 2.958 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccnc(Cl)n2)cc1 ZINC000817692441 742198175 /nfs/dbraw/zinc/19/81/75/742198175.db2.gz OOUHHIBVHSFMLW-HNNXBMFYSA-N 1 2 356.813 2.958 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001007359157 742326622 /nfs/dbraw/zinc/32/66/22/742326622.db2.gz BGKGNUBTLYJYAK-BBWFWOEESA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001007359157 742326626 /nfs/dbraw/zinc/32/66/26/742326626.db2.gz BGKGNUBTLYJYAK-BBWFWOEESA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC001008561336 742381206 /nfs/dbraw/zinc/38/12/06/742381206.db2.gz XMCQXEZILWWGRL-KURKYZTESA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC001008561336 742381209 /nfs/dbraw/zinc/38/12/09/742381209.db2.gz XMCQXEZILWWGRL-KURKYZTESA-N 1 2 350.409 2.637 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000819423055 742389036 /nfs/dbraw/zinc/38/90/36/742389036.db2.gz JBRRQUBYLIZJMW-JKSUJKDBSA-N 1 2 367.877 2.516 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000819423055 742389039 /nfs/dbraw/zinc/38/90/39/742389039.db2.gz JBRRQUBYLIZJMW-JKSUJKDBSA-N 1 2 367.877 2.516 20 30 FFEDLO C=C(Cl)CSc1nc(C)c(CC(=O)NCc2c[nH+]cn2C)s1 ZINC000819533812 742403324 /nfs/dbraw/zinc/40/33/24/742403324.db2.gz AXCYGNUCOAISRX-UHFFFAOYSA-N 1 2 356.904 2.889 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2nc(C)c(C)s2)C1 ZINC001015816099 742481899 /nfs/dbraw/zinc/48/18/99/742481899.db2.gz HHVQKUNOWDVYSU-RYRKJORJSA-N 1 2 363.527 2.822 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)c(C)s2)C1 ZINC001015816099 742481900 /nfs/dbraw/zinc/48/19/00/742481900.db2.gz HHVQKUNOWDVYSU-RYRKJORJSA-N 1 2 363.527 2.822 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001024660913 742733020 /nfs/dbraw/zinc/73/30/20/742733020.db2.gz STPGJPDSESCBTJ-BBWFWOEESA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001024660913 742733022 /nfs/dbraw/zinc/73/30/22/742733022.db2.gz STPGJPDSESCBTJ-BBWFWOEESA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001027500843 742772655 /nfs/dbraw/zinc/77/26/55/742772655.db2.gz MKAHQMZGAHGZQS-OAGGEKHMSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001027500843 742772660 /nfs/dbraw/zinc/77/26/60/742772660.db2.gz MKAHQMZGAHGZQS-OAGGEKHMSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC001027613041 742776537 /nfs/dbraw/zinc/77/65/37/742776537.db2.gz RVCNZXDEAHQVGO-BZSNNMDCSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2csc(C)n2)C1 ZINC001027613041 742776540 /nfs/dbraw/zinc/77/65/40/742776540.db2.gz RVCNZXDEAHQVGO-BZSNNMDCSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC001032040866 742857801 /nfs/dbraw/zinc/85/78/01/742857801.db2.gz YAZZMYXWXRXLBA-WMZOPIPTSA-N 1 2 363.889 2.654 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000823242622 742862999 /nfs/dbraw/zinc/86/29/99/742862999.db2.gz BRKHZOUMWKNRFB-CJNGLKHVSA-N 1 2 352.837 2.598 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000823242622 742863007 /nfs/dbraw/zinc/86/30/07/742863007.db2.gz BRKHZOUMWKNRFB-CJNGLKHVSA-N 1 2 352.837 2.598 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(C)nsc1C ZINC001032677837 742867667 /nfs/dbraw/zinc/86/76/67/742867667.db2.gz UIQLCJWTTBOOKV-OVWQWFNUSA-N 1 2 361.511 2.526 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(C)nsc1C ZINC001032677837 742867676 /nfs/dbraw/zinc/86/76/76/742867676.db2.gz UIQLCJWTTBOOKV-OVWQWFNUSA-N 1 2 361.511 2.526 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001033091341 742872229 /nfs/dbraw/zinc/87/22/29/742872229.db2.gz KKAFGEFOTVLKEB-ZACQAIPSSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001033091341 742872242 /nfs/dbraw/zinc/87/22/42/742872242.db2.gz KKAFGEFOTVLKEB-ZACQAIPSSA-N 1 2 363.889 2.749 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)C[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000824307964 743054364 /nfs/dbraw/zinc/05/43/64/743054364.db2.gz STAIIYJCIKFNAW-INIZCTEOSA-N 1 2 359.495 2.545 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)C[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000824307964 743054373 /nfs/dbraw/zinc/05/43/73/743054373.db2.gz STAIIYJCIKFNAW-INIZCTEOSA-N 1 2 359.495 2.545 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001045559505 743287361 /nfs/dbraw/zinc/28/73/61/743287361.db2.gz FTOQHRYGXPBTBT-KGLIPLIRSA-N 1 2 369.918 2.858 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001046947371 743341161 /nfs/dbraw/zinc/34/11/61/743341161.db2.gz PSQXHTHMVIFHGP-MCIONIFRSA-N 1 2 350.837 2.627 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001046947371 743341165 /nfs/dbraw/zinc/34/11/65/743341165.db2.gz PSQXHTHMVIFHGP-MCIONIFRSA-N 1 2 350.837 2.627 20 30 FFEDLO C#CCNC(=O)[C@H](C)[N@H+](CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000839461986 746831977 /nfs/dbraw/zinc/83/19/77/746831977.db2.gz ANCJFVWCEMQFDH-LBPRGKRZSA-N 1 2 370.280 2.782 20 30 FFEDLO C#CCNC(=O)[C@H](C)[N@@H+](CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000839461986 746831985 /nfs/dbraw/zinc/83/19/85/746831985.db2.gz ANCJFVWCEMQFDH-LBPRGKRZSA-N 1 2 370.280 2.782 20 30 FFEDLO C[N@@H+](Cc1nc(C#N)cs1)C[C@@H](O)c1cccc(Br)c1 ZINC000840959875 747242884 /nfs/dbraw/zinc/24/28/84/747242884.db2.gz WVDKSGPKTVLDFQ-CYBMUJFWSA-N 1 2 352.257 2.943 20 30 FFEDLO C[N@H+](Cc1nc(C#N)cs1)C[C@@H](O)c1cccc(Br)c1 ZINC000840959875 747242889 /nfs/dbraw/zinc/24/28/89/747242889.db2.gz WVDKSGPKTVLDFQ-CYBMUJFWSA-N 1 2 352.257 2.943 20 30 FFEDLO NC(=NOC[C@H]1CCC(F)(F)C1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000842023258 747503383 /nfs/dbraw/zinc/50/33/83/747503383.db2.gz AULILYYTQCNQBM-HNNXBMFYSA-N 1 2 353.413 2.591 20 30 FFEDLO N#Cc1ccc(CSCC(=O)OCC2CN(c3cccc[nH+]3)C2)cc1 ZINC000842892414 747715459 /nfs/dbraw/zinc/71/54/59/747715459.db2.gz CGANQRMLKGMWKN-UHFFFAOYSA-N 1 2 353.447 2.866 20 30 FFEDLO C#C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Br)cc1 ZINC000844145091 747977805 /nfs/dbraw/zinc/97/78/05/747977805.db2.gz SDGIDUBBHIABBU-CJNGLKHVSA-N 1 2 358.239 2.699 20 30 FFEDLO C#C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)C1CCOCC1 ZINC000852641725 749910870 /nfs/dbraw/zinc/91/08/70/749910870.db2.gz FHTRKSQTFDIECS-CRAIPNDOSA-N 1 2 361.511 2.565 20 30 FFEDLO C=CC[N@H+](CN1Cc2ccc(Br)cc2C1=O)[C@H](C)COC ZINC000853534870 750086147 /nfs/dbraw/zinc/08/61/47/750086147.db2.gz NUQBMFQHAGHKKJ-GFCCVEGCSA-N 1 2 353.260 2.885 20 30 FFEDLO C=CC[N@@H+](CN1Cc2ccc(Br)cc2C1=O)[C@H](C)COC ZINC000853534870 750086157 /nfs/dbraw/zinc/08/61/57/750086157.db2.gz NUQBMFQHAGHKKJ-GFCCVEGCSA-N 1 2 353.260 2.885 20 30 FFEDLO N#Cc1cc(NC(=O)C(=O)NCCCCNc2cccc[nH+]2)ccc1Cl ZINC000129659441 970895633 /nfs/dbraw/zinc/89/56/33/970895633.db2.gz MNSBVLBJPPUNJX-UHFFFAOYSA-N 1 2 371.828 2.554 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2[C@@H]4CCC[C@@H]42)C3)c(F)c1 ZINC001095279330 1013060536 /nfs/dbraw/zinc/06/05/36/1013060536.db2.gz VWLKPEFDRUFLJO-ZBSOERELSA-N 1 2 353.441 2.965 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2[C@@H]4CCC[C@@H]42)C3)c(F)c1 ZINC001095279330 1013060549 /nfs/dbraw/zinc/06/05/49/1013060549.db2.gz VWLKPEFDRUFLJO-ZBSOERELSA-N 1 2 353.441 2.965 20 30 FFEDLO Cc1[nH]ccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001095287901 1013094457 /nfs/dbraw/zinc/09/44/57/1013094457.db2.gz PLEWGNNJKQFUDY-MNEFBYGVSA-N 1 2 352.413 2.869 20 30 FFEDLO Cc1[nH]ccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001095287901 1013094472 /nfs/dbraw/zinc/09/44/72/1013094472.db2.gz PLEWGNNJKQFUDY-MNEFBYGVSA-N 1 2 352.413 2.869 20 30 FFEDLO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(OC)c1OC ZINC000871919313 1013114020 /nfs/dbraw/zinc/11/40/20/1013114020.db2.gz KYIDUMQCUJNTPT-FUHWJXTLSA-N 1 2 353.422 2.843 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cnc2ccc(Cl)cn12 ZINC001275877392 1013126348 /nfs/dbraw/zinc/12/63/48/1013126348.db2.gz AVXIMPOABJLPNY-LJQANCHMSA-N 1 2 356.857 2.578 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cnc2ccc(Cl)cn12 ZINC001275877392 1013126351 /nfs/dbraw/zinc/12/63/51/1013126351.db2.gz AVXIMPOABJLPNY-LJQANCHMSA-N 1 2 356.857 2.578 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(CC4CC4)no3)CC[C@@H]2C1 ZINC001088066917 972069674 /nfs/dbraw/zinc/06/96/74/972069674.db2.gz GGOUZWKXODYGKI-CVEARBPZSA-N 1 2 358.486 2.515 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(CC4CC4)no3)CC[C@@H]2C1 ZINC001088066917 972069678 /nfs/dbraw/zinc/06/96/78/972069678.db2.gz GGOUZWKXODYGKI-CVEARBPZSA-N 1 2 358.486 2.515 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(CCC)s3)CC[C@@H]2C1 ZINC001088067327 972070523 /nfs/dbraw/zinc/07/05/23/972070523.db2.gz ZUBUPYPHKPPAIB-CABCVRRESA-N 1 2 362.543 2.983 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(CCC)s3)CC[C@@H]2C1 ZINC001088067327 972070532 /nfs/dbraw/zinc/07/05/32/972070532.db2.gz ZUBUPYPHKPPAIB-CABCVRRESA-N 1 2 362.543 2.983 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC000975018605 972314220 /nfs/dbraw/zinc/31/42/20/972314220.db2.gz QIGZGTFTNNJJQG-IQVOZAENSA-N 1 2 366.465 2.838 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2c(F)cccc2F)C1 ZINC000969684505 959756968 /nfs/dbraw/zinc/75/69/68/959756968.db2.gz MQMMIFBAJSUYON-OHNRDTAOSA-N 1 2 364.436 2.883 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1c(Cl)cccc1OC ZINC001266418361 960331876 /nfs/dbraw/zinc/33/18/76/960331876.db2.gz XFWXJZHFKJRANV-PBHICJAKSA-N 1 2 366.889 2.878 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](CC)Cc1c(Cl)cccc1OC ZINC001266418361 960331886 /nfs/dbraw/zinc/33/18/86/960331886.db2.gz XFWXJZHFKJRANV-PBHICJAKSA-N 1 2 366.889 2.878 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)c1cncc(F)c1 ZINC001095303270 1013198094 /nfs/dbraw/zinc/19/80/94/1013198094.db2.gz WVEUIDFEGVBFGJ-AABGKKOBSA-N 1 2 367.399 2.747 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)c1cncc(F)c1 ZINC001095303270 1013198099 /nfs/dbraw/zinc/19/80/99/1013198099.db2.gz WVEUIDFEGVBFGJ-AABGKKOBSA-N 1 2 367.399 2.747 20 30 FFEDLO N#Cc1cn(-c2ccc(OCC[NH+]3CCOCC3)cc2)c2cc(N)ccc12 ZINC001174434545 1013208400 /nfs/dbraw/zinc/20/84/00/1013208400.db2.gz MVDYJOUNIKALSN-UHFFFAOYSA-N 1 2 362.433 2.795 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CCCCO2)C3)c(F)c1 ZINC001095300343 1013211822 /nfs/dbraw/zinc/21/18/22/1013211822.db2.gz HWAWAIANONWJOT-JYBIWHBTSA-N 1 2 371.456 2.878 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CCCCO2)C3)c(F)c1 ZINC001095300343 1013211831 /nfs/dbraw/zinc/21/18/31/1013211831.db2.gz HWAWAIANONWJOT-JYBIWHBTSA-N 1 2 371.456 2.878 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1cnc(Cl)s1 ZINC001275955835 1013226120 /nfs/dbraw/zinc/22/61/20/1013226120.db2.gz RGAPDEOZEUQMKJ-UBHSHLNASA-N 1 2 357.907 2.714 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1cnc(Cl)s1 ZINC001275955835 1013226127 /nfs/dbraw/zinc/22/61/27/1013226127.db2.gz RGAPDEOZEUQMKJ-UBHSHLNASA-N 1 2 357.907 2.714 20 30 FFEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3ccc(Cl)cc3F)C2)OCC1=O ZINC001275993011 1013262733 /nfs/dbraw/zinc/26/27/33/1013262733.db2.gz HCNHXNVYLYNJRD-GOSISDBHSA-N 1 2 352.837 2.859 20 30 FFEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3F)C2)OCC1=O ZINC001275993011 1013262742 /nfs/dbraw/zinc/26/27/42/1013262742.db2.gz HCNHXNVYLYNJRD-GOSISDBHSA-N 1 2 352.837 2.859 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000970571301 961741438 /nfs/dbraw/zinc/74/14/38/961741438.db2.gz JFMSNKCQKMREHB-VMDGZTHMSA-N 1 2 364.436 2.883 20 30 FFEDLO C=CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3sc(Cl)nc3Cl)C2)C1=O ZINC001276028709 1013294838 /nfs/dbraw/zinc/29/48/38/1013294838.db2.gz JVFVYMGQDPUUSM-OAHLLOKOSA-N 1 2 374.293 2.977 20 30 FFEDLO C=CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3sc(Cl)nc3Cl)C2)C1=O ZINC001276028709 1013294844 /nfs/dbraw/zinc/29/48/44/1013294844.db2.gz JVFVYMGQDPUUSM-OAHLLOKOSA-N 1 2 374.293 2.977 20 30 FFEDLO N#Cc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)c(Br)n1 ZINC001174973496 1013342580 /nfs/dbraw/zinc/34/25/80/1013342580.db2.gz XOOPJDZVGAGOFP-UHFFFAOYSA-N 1 2 360.215 2.691 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(O)ccc1Cl ZINC001111488565 962767535 /nfs/dbraw/zinc/76/75/35/962767535.db2.gz NUZMCYLRGGYFNS-FOZNTRSISA-N 1 2 364.873 2.858 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(O)ccc1Cl ZINC001111488565 962767550 /nfs/dbraw/zinc/76/75/50/962767550.db2.gz NUZMCYLRGGYFNS-FOZNTRSISA-N 1 2 364.873 2.858 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(F)c1 ZINC001110183509 1013420479 /nfs/dbraw/zinc/42/04/79/1013420479.db2.gz WWPDUBPWSGHWAE-NMVRNDPTSA-N 1 2 350.409 2.777 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(F)c1 ZINC001110183509 1013420483 /nfs/dbraw/zinc/42/04/83/1013420483.db2.gz WWPDUBPWSGHWAE-NMVRNDPTSA-N 1 2 350.409 2.777 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC000971556292 964161139 /nfs/dbraw/zinc/16/11/39/964161139.db2.gz PAKZEGYQJGVXHW-KSZLIROESA-N 1 2 359.470 2.566 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC000971556292 964161149 /nfs/dbraw/zinc/16/11/49/964161149.db2.gz PAKZEGYQJGVXHW-KSZLIROESA-N 1 2 359.470 2.566 20 30 FFEDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC001175444889 1013482295 /nfs/dbraw/zinc/48/22/95/1013482295.db2.gz QHAROKHGHIUZDA-INIZCTEOSA-N 1 2 364.449 2.716 20 30 FFEDLO COc1ccc([C@H](CNc2ccc(C#N)cc2CO)[NH+]2CCOCC2)cc1 ZINC000891486335 964377288 /nfs/dbraw/zinc/37/72/88/964377288.db2.gz FSYIBTYABMJYQT-NRFANRHFSA-N 1 2 367.449 2.545 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@H+](C[C@@H](O)COc3ccc(F)cc3)CCO2)cc1 ZINC000933622888 964967909 /nfs/dbraw/zinc/96/79/09/964967909.db2.gz NYKAXIKPQRAYID-QUCCMNQESA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(F)cc3)CCO2)cc1 ZINC000933622888 964967921 /nfs/dbraw/zinc/96/79/21/964967921.db2.gz NYKAXIKPQRAYID-QUCCMNQESA-N 1 2 356.397 2.511 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(CC)no1 ZINC001087175312 965096115 /nfs/dbraw/zinc/09/61/15/965096115.db2.gz HHZNWPCPNJGKFO-CVEARBPZSA-N 1 2 371.485 2.650 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nnc(CC)o1 ZINC001087175667 965103455 /nfs/dbraw/zinc/10/34/55/965103455.db2.gz ZYWJWSHIELRAGY-CVEARBPZSA-N 1 2 371.485 2.650 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2conc2C2CC2)C1 ZINC001087467558 965114017 /nfs/dbraw/zinc/11/40/17/965114017.db2.gz CEMIVIXUPKMYNW-IEBWSBKVSA-N 1 2 367.424 2.912 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2conc2C2CC2)C1 ZINC001087467558 965114023 /nfs/dbraw/zinc/11/40/23/965114023.db2.gz CEMIVIXUPKMYNW-IEBWSBKVSA-N 1 2 367.424 2.912 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(CC)on2)C1 ZINC001087468957 965283212 /nfs/dbraw/zinc/28/32/12/965283212.db2.gz AVAUUEMEBWPYLU-IEBWSBKVSA-N 1 2 355.413 2.597 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(CC)on2)C1 ZINC001087468957 965283225 /nfs/dbraw/zinc/28/32/25/965283225.db2.gz AVAUUEMEBWPYLU-IEBWSBKVSA-N 1 2 355.413 2.597 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2ncoc2C)C1 ZINC001087469878 965311187 /nfs/dbraw/zinc/31/11/87/965311187.db2.gz APEAVGGQTAJVGK-OALUTQOASA-N 1 2 367.449 2.603 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)c2ncoc2C)C1 ZINC001087469878 965311198 /nfs/dbraw/zinc/31/11/98/965311198.db2.gz APEAVGGQTAJVGK-OALUTQOASA-N 1 2 367.449 2.603 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C[C@H](C)n4cc[nH+]c4)[C@@H]3C2)CC1 ZINC000972182498 966477396 /nfs/dbraw/zinc/47/73/96/966477396.db2.gz KSGNBANDTXXGIX-QXAKKESOSA-N 1 2 370.497 2.640 20 30 FFEDLO Cn1nc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000934455250 966484365 /nfs/dbraw/zinc/48/43/65/966484365.db2.gz GQKHWLQTLHTCRE-UHFFFAOYSA-N 1 2 374.448 2.795 20 30 FFEDLO Cc1c(Cl)cccc1C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001270837936 967053561 /nfs/dbraw/zinc/05/35/61/967053561.db2.gz SGCVVXWSNFTCEF-UHFFFAOYSA-N 1 2 368.868 2.817 20 30 FFEDLO Cc1cc(C[NH+]2CCN(C(=O)CC#N)CC2)ccc1Oc1cccnc1 ZINC000895065708 967346224 /nfs/dbraw/zinc/34/62/24/967346224.db2.gz HTXKHBVNVLQZEU-UHFFFAOYSA-N 1 2 350.422 2.740 20 30 FFEDLO Cc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](CC#Cc4ccccc4)C[C@@H]32)cc1 ZINC001083257151 967409497 /nfs/dbraw/zinc/40/94/97/967409497.db2.gz KCNWABHCLHMTEJ-FCHUYYIVSA-N 1 2 360.457 2.572 20 30 FFEDLO Cc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](CC#Cc4ccccc4)C[C@@H]32)cc1 ZINC001083257151 967409499 /nfs/dbraw/zinc/40/94/99/967409499.db2.gz KCNWABHCLHMTEJ-FCHUYYIVSA-N 1 2 360.457 2.572 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCOC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087516044 967567998 /nfs/dbraw/zinc/56/79/98/967567998.db2.gz JZBRPVSNPUYWHB-AYOQOUSVSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCOC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087516044 967568006 /nfs/dbraw/zinc/56/80/06/967568006.db2.gz JZBRPVSNPUYWHB-AYOQOUSVSA-N 1 2 359.445 2.593 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2csnn2)C1 ZINC001211610606 967944739 /nfs/dbraw/zinc/94/47/39/967944739.db2.gz AFTGJWBSIXCABE-ZWKOTPCHSA-N 1 2 356.495 2.979 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC2(F)F)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087565036 968162193 /nfs/dbraw/zinc/16/21/93/968162193.db2.gz GYBAYXHEEZSSRB-HRCADAONSA-N 1 2 351.372 2.822 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC2(F)F)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087565036 968162200 /nfs/dbraw/zinc/16/22/00/968162200.db2.gz GYBAYXHEEZSSRB-HRCADAONSA-N 1 2 351.372 2.822 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(CC)n3)[C@@H]2CC)cc1 ZINC001087682065 968591615 /nfs/dbraw/zinc/59/16/15/968591615.db2.gz DOXOUXCKVRZEIQ-VQTJNVASSA-N 1 2 350.466 2.667 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccn(CC)n3)[C@@H]2CC)cc1 ZINC001087682065 968591617 /nfs/dbraw/zinc/59/16/17/968591617.db2.gz DOXOUXCKVRZEIQ-VQTJNVASSA-N 1 2 350.466 2.667 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cc2ncccc2F)[C@H]1CC ZINC001087702156 968663372 /nfs/dbraw/zinc/66/33/72/968663372.db2.gz HRRHLSVLHAZFIN-DZGCQCFKSA-N 1 2 370.266 2.641 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cc2ncccc2F)[C@H]1CC ZINC001087702156 968663374 /nfs/dbraw/zinc/66/33/74/968663374.db2.gz HRRHLSVLHAZFIN-DZGCQCFKSA-N 1 2 370.266 2.641 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccncn2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087766671 968957000 /nfs/dbraw/zinc/95/70/00/968957000.db2.gz LKPYSTIZZWVRCW-PKOBYXMFSA-N 1 2 368.868 2.764 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccncn2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087766671 968957005 /nfs/dbraw/zinc/95/70/05/968957005.db2.gz LKPYSTIZZWVRCW-PKOBYXMFSA-N 1 2 368.868 2.764 20 30 FFEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000179653577 969018852 /nfs/dbraw/zinc/01/88/52/969018852.db2.gz ZCNFFKVHRXAQHW-UHFFFAOYSA-N 1 2 352.394 2.797 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2C2CC2)[C@H]1CC ZINC001087782195 969042673 /nfs/dbraw/zinc/04/26/73/969042673.db2.gz BFSUMKNICCIASR-UONOGXRCSA-N 1 2 367.291 2.778 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2C2CC2)[C@H]1CC ZINC001087782195 969042684 /nfs/dbraw/zinc/04/26/84/969042684.db2.gz BFSUMKNICCIASR-UONOGXRCSA-N 1 2 367.291 2.778 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2scc3c2OCCO3)[C@H]1CC ZINC001087783165 969060069 /nfs/dbraw/zinc/06/00/69/969060069.db2.gz JERBOCSDULVHMB-NWDGAFQWSA-N 1 2 356.875 2.855 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2scc3c2OCCO3)[C@H]1CC ZINC001087783165 969060086 /nfs/dbraw/zinc/06/00/86/969060086.db2.gz JERBOCSDULVHMB-NWDGAFQWSA-N 1 2 356.875 2.855 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2cccs2)CC1 ZINC001177115536 1013852566 /nfs/dbraw/zinc/85/25/66/1013852566.db2.gz WKYGGIRWRYUZTJ-OAHLLOKOSA-N 1 2 365.499 2.644 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccccc3F)[C@@H]2C1 ZINC001075500639 969158898 /nfs/dbraw/zinc/15/88/98/969158898.db2.gz OARBLBRRFFTRQD-SWLSCSKDSA-N 1 2 353.235 2.881 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccccc3F)[C@@H]2C1 ZINC001075500639 969158902 /nfs/dbraw/zinc/15/89/02/969158902.db2.gz OARBLBRRFFTRQD-SWLSCSKDSA-N 1 2 353.235 2.881 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC12CCN(c1cc[nH+]c(C)n1)CC2 ZINC001058651750 970333652 /nfs/dbraw/zinc/33/36/52/970333652.db2.gz BNQSVGNKLFALSM-LNLFQRSKSA-N 1 2 370.497 2.631 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](C/C(Cl)=C/Cl)CC[C@@H]3C2)cn1 ZINC001088175488 973487935 /nfs/dbraw/zinc/48/79/35/973487935.db2.gz YOEGEYYURDHQNN-XKNYUJIKSA-N 1 2 364.276 2.776 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C/C(Cl)=C/Cl)CC[C@@H]3C2)cn1 ZINC001088175488 973487942 /nfs/dbraw/zinc/48/79/42/973487942.db2.gz YOEGEYYURDHQNN-XKNYUJIKSA-N 1 2 364.276 2.776 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CCN(C(=O)C[C@@H](C)n4cc[nH+]c4)[C@H]3C2)C1 ZINC000975992556 973676049 /nfs/dbraw/zinc/67/60/49/973676049.db2.gz JEMPPVMAUGAJRK-SQNIBIBYSA-N 1 2 370.497 2.640 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2CC)CC1 ZINC000985409505 973998098 /nfs/dbraw/zinc/99/80/98/973998098.db2.gz LBGLQBXVLUZKBV-VXIBKDFQSA-N 1 2 370.497 2.755 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2CC)CC1 ZINC000985409505 973998105 /nfs/dbraw/zinc/99/81/05/973998105.db2.gz LBGLQBXVLUZKBV-VXIBKDFQSA-N 1 2 370.497 2.755 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)c3cccc4[nH+]ccn43)[C@@H]2CC)C1 ZINC000985427410 974059017 /nfs/dbraw/zinc/05/90/17/974059017.db2.gz IVUMDPIYCSXRDJ-JKSUJKDBSA-N 1 2 366.465 2.800 20 30 FFEDLO CCn1cnc2c1CC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C2 ZINC000897334129 974320787 /nfs/dbraw/zinc/32/07/87/974320787.db2.gz KIFYBILBCZKIBY-UHFFFAOYSA-N 1 2 361.453 2.633 20 30 FFEDLO CCn1cnc2c1CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C2 ZINC000897334129 974320791 /nfs/dbraw/zinc/32/07/91/974320791.db2.gz KIFYBILBCZKIBY-UHFFFAOYSA-N 1 2 361.453 2.633 20 30 FFEDLO N#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001087430848 975988925 /nfs/dbraw/zinc/98/89/25/975988925.db2.gz KZOJPMOYBDDKST-YLJYHZDGSA-N 1 2 359.433 2.674 20 30 FFEDLO Cc1cn(C(C)(C)C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)c[nH+]1 ZINC000898566166 976544901 /nfs/dbraw/zinc/54/49/01/976544901.db2.gz GDDICCQDCWZSNK-GOSISDBHSA-N 1 2 351.454 2.536 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2CCC)c1 ZINC001028125231 976803000 /nfs/dbraw/zinc/80/30/00/976803000.db2.gz MHJMSFGCGSHJOQ-MISYRCLQSA-N 1 2 367.493 2.623 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2CCC)c1 ZINC001028125231 976803009 /nfs/dbraw/zinc/80/30/09/976803009.db2.gz MHJMSFGCGSHJOQ-MISYRCLQSA-N 1 2 367.493 2.623 20 30 FFEDLO C[C@H]1CC2(CC(N3CC(=O)C(=C4N(C)c5ccccc5N4C)C3=[NH2+])C2)CO1 ZINC000899237409 977044650 /nfs/dbraw/zinc/04/46/50/977044650.db2.gz MVVOYROBZANTFV-FHDQPZTMSA-N 1 2 366.465 2.604 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)CC2)s1 ZINC000982012094 977117243 /nfs/dbraw/zinc/11/72/43/977117243.db2.gz QBAOTRXZHROLMM-RBUKOAKNSA-N 1 2 366.490 2.853 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)CC2)s1 ZINC000982012094 977117252 /nfs/dbraw/zinc/11/72/52/977117252.db2.gz QBAOTRXZHROLMM-RBUKOAKNSA-N 1 2 366.490 2.853 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC000982018915 977130318 /nfs/dbraw/zinc/13/03/18/977130318.db2.gz MPJICAQBORZRCW-BEFAXECRSA-N 1 2 371.456 2.547 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC000982018915 977130323 /nfs/dbraw/zinc/13/03/23/977130323.db2.gz MPJICAQBORZRCW-BEFAXECRSA-N 1 2 371.456 2.547 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ncccc2O)C1 ZINC001087454196 977759561 /nfs/dbraw/zinc/75/95/61/977759561.db2.gz HSWZCMPDEWKWID-QZTJIDSGSA-N 1 2 367.424 2.538 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ncccc2O)C1 ZINC001087454196 977759568 /nfs/dbraw/zinc/75/95/68/977759568.db2.gz HSWZCMPDEWKWID-QZTJIDSGSA-N 1 2 367.424 2.538 20 30 FFEDLO C[C@H](NCc1cc(C#N)cnc1Cl)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000877059092 1014464597 /nfs/dbraw/zinc/46/45/97/1014464597.db2.gz QKZRMKYDGYFANE-HNAYVOBHSA-N 1 2 370.884 2.986 20 30 FFEDLO C[C@H](NCc1cc(C#N)cnc1Cl)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000877059092 1014464604 /nfs/dbraw/zinc/46/46/04/1014464604.db2.gz QKZRMKYDGYFANE-HNAYVOBHSA-N 1 2 370.884 2.986 20 30 FFEDLO CN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(F)c1C#N ZINC000729185430 978198854 /nfs/dbraw/zinc/19/88/54/978198854.db2.gz QDWNAKMRYDFCBA-UHFFFAOYSA-N 1 2 362.449 2.686 20 30 FFEDLO C#CCCCc1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1CC(C)C ZINC000909625732 979064554 /nfs/dbraw/zinc/06/45/54/979064554.db2.gz UNEVOTSWFRJANG-UHFFFAOYSA-N 1 2 370.501 2.509 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc43)[C@@H]2C1 ZINC001076195620 979215010 /nfs/dbraw/zinc/21/50/10/979215010.db2.gz SGPXNQSSWNCTAE-BHYGNILZSA-N 1 2 361.283 2.768 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc43)[C@@H]2C1 ZINC001076195620 979215014 /nfs/dbraw/zinc/21/50/14/979215014.db2.gz SGPXNQSSWNCTAE-BHYGNILZSA-N 1 2 361.283 2.768 20 30 FFEDLO COc1cnc(NCCSCc2csc(C[NH+](C)C)n2)c(C#N)c1 ZINC001168108642 979428582 /nfs/dbraw/zinc/42/85/82/979428582.db2.gz FEZWEMVQDXDMNQ-UHFFFAOYSA-N 1 2 363.512 2.825 20 30 FFEDLO Cc1c[nH]cc1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001076568107 979666236 /nfs/dbraw/zinc/66/62/36/979666236.db2.gz VGGVDVDJGXHMQF-HNAYVOBHSA-N 1 2 352.413 2.680 20 30 FFEDLO Cc1c[nH]cc1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001076568107 979666241 /nfs/dbraw/zinc/66/62/41/979666241.db2.gz VGGVDVDJGXHMQF-HNAYVOBHSA-N 1 2 352.413 2.680 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](OC)c3ccc(F)cc3)[C@@H]2C1 ZINC001076624808 979726915 /nfs/dbraw/zinc/72/69/15/979726915.db2.gz GPQVVZDYPPQQNK-USXIJHARSA-N 1 2 352.837 2.798 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](OC)c3ccc(F)cc3)[C@@H]2C1 ZINC001076624808 979726918 /nfs/dbraw/zinc/72/69/18/979726918.db2.gz GPQVVZDYPPQQNK-USXIJHARSA-N 1 2 352.837 2.798 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC000904116850 980189699 /nfs/dbraw/zinc/18/96/99/980189699.db2.gz NSHJLUJRCHEOCK-AAEUAGOBSA-N 1 2 373.306 2.746 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C[C@H]2CCCCO2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088517089 980396046 /nfs/dbraw/zinc/39/60/46/980396046.db2.gz WNWWEEYPVTZVLB-ZMYBRWDISA-N 1 2 359.445 2.736 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C[C@H]2CCCCO2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088517089 980396053 /nfs/dbraw/zinc/39/60/53/980396053.db2.gz WNWWEEYPVTZVLB-ZMYBRWDISA-N 1 2 359.445 2.736 20 30 FFEDLO Cc1nc(N[C@@H]2CCC[N@@H+](C3COC3)C2)c(C#N)c(C)c1Br ZINC001168370103 980428671 /nfs/dbraw/zinc/42/86/71/980428671.db2.gz VKSITJPHJLYYPE-GFCCVEGCSA-N 1 2 365.275 2.608 20 30 FFEDLO Cc1nc(N[C@@H]2CCC[N@H+](C3COC3)C2)c(C#N)c(C)c1Br ZINC001168370103 980428673 /nfs/dbraw/zinc/42/86/73/980428673.db2.gz VKSITJPHJLYYPE-GFCCVEGCSA-N 1 2 365.275 2.608 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nnc(C)s3)C[C@H]21 ZINC001075885222 980477679 /nfs/dbraw/zinc/47/76/79/980477679.db2.gz LODCVSMBVDQKIT-UKPHBRMFSA-N 1 2 371.510 2.742 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nnc(C)s3)C[C@H]21 ZINC001075885222 980477681 /nfs/dbraw/zinc/47/76/81/980477681.db2.gz LODCVSMBVDQKIT-UKPHBRMFSA-N 1 2 371.510 2.742 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+](Cc3nc(C)cs3)C[C@H]21 ZINC001075885400 980482590 /nfs/dbraw/zinc/48/25/90/980482590.db2.gz VBBMIRRGPFDIQP-DOTOQJQBSA-N 1 2 356.495 2.786 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+](Cc3nc(C)cs3)C[C@H]21 ZINC001075885400 980482598 /nfs/dbraw/zinc/48/25/98/980482598.db2.gz VBBMIRRGPFDIQP-DOTOQJQBSA-N 1 2 356.495 2.786 20 30 FFEDLO CO[C@H]1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)Cc3cccnc3N2C1 ZINC000877687887 1014681869 /nfs/dbraw/zinc/68/18/69/1014681869.db2.gz NABWVZBYZMDSSD-ROUUACIJSA-N 1 2 352.413 2.702 20 30 FFEDLO CO[C@H]1C[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)Cc3cccnc3N2C1 ZINC000877687887 1014681875 /nfs/dbraw/zinc/68/18/75/1014681875.db2.gz NABWVZBYZMDSSD-ROUUACIJSA-N 1 2 352.413 2.702 20 30 FFEDLO Cn1c(C#N)ccc1C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907809817 981298680 /nfs/dbraw/zinc/29/86/80/981298680.db2.gz BEFPYDYPWFRTTO-AWEZNQCLSA-N 1 2 351.454 2.955 20 30 FFEDLO Cn1c(C#N)ccc1C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907809817 981298686 /nfs/dbraw/zinc/29/86/86/981298686.db2.gz BEFPYDYPWFRTTO-AWEZNQCLSA-N 1 2 351.454 2.955 20 30 FFEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001212009118 981453100 /nfs/dbraw/zinc/45/31/00/981453100.db2.gz LXWYKRMTRMSJIH-NIKGAXFTSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001212009118 981453106 /nfs/dbraw/zinc/45/31/06/981453106.db2.gz LXWYKRMTRMSJIH-NIKGAXFTSA-N 1 2 361.461 2.839 20 30 FFEDLO CO[C@@H]1C[N@H+](CCc2cc(Cl)ccc2Cl)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041185 981468426 /nfs/dbraw/zinc/46/84/26/981468426.db2.gz HJBQDYSKKBFYDY-IUIKQTSFSA-N 1 2 370.280 2.511 20 30 FFEDLO CO[C@@H]1C[N@@H+](CCc2cc(Cl)ccc2Cl)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041185 981468431 /nfs/dbraw/zinc/46/84/31/981468431.db2.gz HJBQDYSKKBFYDY-IUIKQTSFSA-N 1 2 370.280 2.511 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)/C=C/C(C)(C)C ZINC001212047297 981475723 /nfs/dbraw/zinc/47/57/23/981475723.db2.gz GVKCPOIRQQGQQG-HNGSOEQISA-N 1 2 359.445 2.615 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)/C=C/C(C)(C)C ZINC001212047297 981475725 /nfs/dbraw/zinc/47/57/25/981475725.db2.gz GVKCPOIRQQGQQG-HNGSOEQISA-N 1 2 359.445 2.615 20 30 FFEDLO Cc1cn(C(C)(C)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c[nH+]1 ZINC000897579548 982313993 /nfs/dbraw/zinc/31/39/93/982313993.db2.gz BIRBKBNVKBVNJE-UHFFFAOYSA-N 1 2 371.872 2.801 20 30 FFEDLO COC(=O)/C=C/c1ccc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)o1 ZINC000897596435 982372984 /nfs/dbraw/zinc/37/29/84/982372984.db2.gz PYKLPPBXPLPTBH-SGQUHAKNSA-N 1 2 352.390 2.911 20 30 FFEDLO COC(=O)/C=C/c1ccc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)o1 ZINC000897596435 982372989 /nfs/dbraw/zinc/37/29/89/982372989.db2.gz PYKLPPBXPLPTBH-SGQUHAKNSA-N 1 2 352.390 2.911 20 30 FFEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC[C@@](C#N)(C(C)=O)c3ccccc3)[C@@H]2C1 ZINC000878302287 1014977557 /nfs/dbraw/zinc/97/75/57/1014977557.db2.gz YKMYNUQCVNEFKF-MXEMCNAFSA-N 1 2 356.466 2.695 20 30 FFEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC[C@@](C#N)(C(C)=O)c3ccccc3)[C@@H]2C1 ZINC000878302287 1014977572 /nfs/dbraw/zinc/97/75/72/1014977572.db2.gz YKMYNUQCVNEFKF-MXEMCNAFSA-N 1 2 356.466 2.695 20 30 FFEDLO Cc1cc(C(N)=[NH+]OCC(=O)NCc2cccc(OC(C)C)c2)ccc1F ZINC000151296087 984247373 /nfs/dbraw/zinc/24/73/73/984247373.db2.gz MPEZCTLVSGHDDP-UHFFFAOYSA-N 1 2 373.428 2.875 20 30 FFEDLO CC[C@H](C)NC(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000058499334 984609783 /nfs/dbraw/zinc/60/97/83/984609783.db2.gz FPASQOSROUTTDE-HNNXBMFYSA-N 1 2 355.438 2.817 20 30 FFEDLO C=CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnc(C3CC3)[nH]1)CC2 ZINC001107524081 984633374 /nfs/dbraw/zinc/63/33/74/984633374.db2.gz GTGVLYRUKPHHGT-OXQOHEQNSA-N 1 2 357.502 2.899 20 30 FFEDLO C=CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnc(C3CC3)[nH]1)CC2 ZINC001107524081 984633380 /nfs/dbraw/zinc/63/33/80/984633380.db2.gz GTGVLYRUKPHHGT-OXQOHEQNSA-N 1 2 357.502 2.899 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H](CCNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001060328657 984739796 /nfs/dbraw/zinc/73/97/96/984739796.db2.gz HGCKDUKOYGGAON-CGTJXYLNSA-N 1 2 370.497 2.614 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H](CCNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001060328657 984739804 /nfs/dbraw/zinc/73/98/04/984739804.db2.gz HGCKDUKOYGGAON-CGTJXYLNSA-N 1 2 370.497 2.614 20 30 FFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878490503 1015066950 /nfs/dbraw/zinc/06/69/50/1015066950.db2.gz MLLHKTGOLPCTTI-RBAQFSTRSA-N 1 2 354.450 2.701 20 30 FFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878490503 1015066961 /nfs/dbraw/zinc/06/69/61/1015066961.db2.gz MLLHKTGOLPCTTI-RBAQFSTRSA-N 1 2 354.450 2.701 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ocnc2C2CC2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088856549 985038692 /nfs/dbraw/zinc/03/86/92/985038692.db2.gz VAGPLRHBPSHCNO-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ocnc2C2CC2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088856549 985038698 /nfs/dbraw/zinc/03/86/98/985038698.db2.gz VAGPLRHBPSHCNO-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001077702269 985074521 /nfs/dbraw/zinc/07/45/21/985074521.db2.gz OXYTYRJIVWSKRC-VBSBHUPXSA-N 1 2 374.912 2.535 20 30 FFEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001077702269 985074526 /nfs/dbraw/zinc/07/45/26/985074526.db2.gz OXYTYRJIVWSKRC-VBSBHUPXSA-N 1 2 374.912 2.535 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2F)[C@@H]1C ZINC001088868356 985165089 /nfs/dbraw/zinc/16/50/89/985165089.db2.gz YLWLZXORTWZKNS-ZYUBPSHWSA-N 1 2 350.409 2.635 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)[C@@H]1C ZINC001088868356 985165093 /nfs/dbraw/zinc/16/50/93/985165093.db2.gz YLWLZXORTWZKNS-ZYUBPSHWSA-N 1 2 350.409 2.635 20 30 FFEDLO CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)cn1 ZINC001088891554 985343393 /nfs/dbraw/zinc/34/33/93/985343393.db2.gz BDFPXWGLPAYEPU-KUHUBIRLSA-N 1 2 369.444 2.697 20 30 FFEDLO CCCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)cn1 ZINC001088891554 985343416 /nfs/dbraw/zinc/34/34/16/985343416.db2.gz BDFPXWGLPAYEPU-KUHUBIRLSA-N 1 2 369.444 2.697 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)o1 ZINC001088959624 985623567 /nfs/dbraw/zinc/62/35/67/985623567.db2.gz OQTIDUOJALQGMM-PBHICJAKSA-N 1 2 352.438 2.810 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)o1 ZINC001088959624 985623578 /nfs/dbraw/zinc/62/35/78/985623578.db2.gz OQTIDUOJALQGMM-PBHICJAKSA-N 1 2 352.438 2.810 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)no1 ZINC001088989009 985778182 /nfs/dbraw/zinc/77/81/82/985778182.db2.gz CBIYKUQRXTXUNP-PXAZEXFGSA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)no1 ZINC001088989009 985778184 /nfs/dbraw/zinc/77/81/84/985778184.db2.gz CBIYKUQRXTXUNP-PXAZEXFGSA-N 1 2 356.401 2.641 20 30 FFEDLO CN(C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000173835732 986005154 /nfs/dbraw/zinc/00/51/54/986005154.db2.gz CZVIUBLRQRDHLI-QGZVFWFLSA-N 1 2 372.469 2.828 20 30 FFEDLO CN(C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000173835732 986005169 /nfs/dbraw/zinc/00/51/69/986005169.db2.gz CZVIUBLRQRDHLI-QGZVFWFLSA-N 1 2 372.469 2.828 20 30 FFEDLO CC(C)c1ncncc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001089045275 986098603 /nfs/dbraw/zinc/09/86/03/986098603.db2.gz IMNYMEKYCJILFH-BEFAXECRSA-N 1 2 363.465 2.864 20 30 FFEDLO CC(C)c1ncncc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001089045275 986098618 /nfs/dbraw/zinc/09/86/18/986098618.db2.gz IMNYMEKYCJILFH-BEFAXECRSA-N 1 2 363.465 2.864 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C)c(F)c1 ZINC001032677293 986424973 /nfs/dbraw/zinc/42/49/73/986424973.db2.gz GSVPXMBNZGBLQK-JPLJXNOCSA-N 1 2 358.457 2.900 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C)c(F)c1 ZINC001032677293 986424977 /nfs/dbraw/zinc/42/49/77/986424977.db2.gz GSVPXMBNZGBLQK-JPLJXNOCSA-N 1 2 358.457 2.900 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1coc(C)n1 ZINC001089181454 986511619 /nfs/dbraw/zinc/51/16/19/986511619.db2.gz RRTOFIQQDFGLMC-OTWHNJEPSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1coc(C)n1 ZINC001089181454 986511626 /nfs/dbraw/zinc/51/16/26/986511626.db2.gz RRTOFIQQDFGLMC-OTWHNJEPSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1coc(C3CC3)n1)CC2 ZINC000992243380 986560592 /nfs/dbraw/zinc/56/05/92/986560592.db2.gz VIWYACXRLXZGRX-BMQTXXJKSA-N 1 2 371.481 2.756 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1coc(C3CC3)n1)CC2 ZINC000992243380 986560600 /nfs/dbraw/zinc/56/06/00/986560600.db2.gz VIWYACXRLXZGRX-BMQTXXJKSA-N 1 2 371.481 2.756 20 30 FFEDLO CC(C)c1cccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)c1 ZINC001077944759 986776941 /nfs/dbraw/zinc/77/69/41/986776941.db2.gz GLTJMTIAWCIBIG-RTBURBONSA-N 1 2 369.490 2.718 20 30 FFEDLO CC(C)c1cccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)c1 ZINC001077944759 986776952 /nfs/dbraw/zinc/77/69/52/986776952.db2.gz GLTJMTIAWCIBIG-RTBURBONSA-N 1 2 369.490 2.718 20 30 FFEDLO CC1(C)CCC[C@@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2O)C1 ZINC001078003856 986899464 /nfs/dbraw/zinc/89/94/64/986899464.db2.gz BTWQACNDKKHELR-PWIZWCRZSA-N 1 2 369.509 2.826 20 30 FFEDLO CC1(C)CCC[C@@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2O)C1 ZINC001078003856 986899470 /nfs/dbraw/zinc/89/94/70/986899470.db2.gz BTWQACNDKKHELR-PWIZWCRZSA-N 1 2 369.509 2.826 20 30 FFEDLO Cc1ccc(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c(N(C)C)[nH+]1 ZINC000761892444 987965030 /nfs/dbraw/zinc/96/50/30/987965030.db2.gz UAKVXKGPSNQGBL-SFHVURJKSA-N 1 2 365.437 2.933 20 30 FFEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C)cc2OC[C@@H]2CCOC2)nn1 ZINC000657396848 988027019 /nfs/dbraw/zinc/02/70/19/988027019.db2.gz PRLJGYXNEMNHCJ-QGZVFWFLSA-N 1 2 356.470 2.868 20 30 FFEDLO C[C@H](CCNc1cccc(F)c1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001106569311 988407220 /nfs/dbraw/zinc/40/72/20/988407220.db2.gz IQZAMESPZLTMQW-MGPQQGTHSA-N 1 2 355.417 2.541 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168722732 988407809 /nfs/dbraw/zinc/40/78/09/988407809.db2.gz WJHOBHIXIFNDFJ-KDOFPFPSSA-N 1 2 358.873 2.738 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168722732 988407811 /nfs/dbraw/zinc/40/78/11/988407811.db2.gz WJHOBHIXIFNDFJ-KDOFPFPSSA-N 1 2 358.873 2.738 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)NCCc2c(C)cc(C)cc2C)cc1 ZINC000762689672 988585204 /nfs/dbraw/zinc/58/52/04/988585204.db2.gz CSEJRQBGFIWUTE-UHFFFAOYSA-N 1 2 369.465 2.616 20 30 FFEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)c2C1 ZINC001128504199 988758770 /nfs/dbraw/zinc/75/87/70/988758770.db2.gz FQIQCDJLIBAGTE-GGPKGHCWSA-N 1 2 372.513 2.629 20 30 FFEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)c2C1 ZINC001128504199 988758773 /nfs/dbraw/zinc/75/87/73/988758773.db2.gz FQIQCDJLIBAGTE-GGPKGHCWSA-N 1 2 372.513 2.629 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)/C(C)=C/C)C[C@H]2c2c[nH+]cn2C)CC1 ZINC000993596471 989320313 /nfs/dbraw/zinc/32/03/13/989320313.db2.gz HOQXFEWLQQMDKS-IYBFVCPDSA-N 1 2 370.497 2.543 20 30 FFEDLO C=CCCC(=O)N[C@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001060603197 989322103 /nfs/dbraw/zinc/32/21/03/989322103.db2.gz GEQCJGPPBKQQFM-ZTFGCOKTSA-N 1 2 366.465 2.973 20 30 FFEDLO C=CCCC(=O)N[C@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001060603197 989322114 /nfs/dbraw/zinc/32/21/14/989322114.db2.gz GEQCJGPPBKQQFM-ZTFGCOKTSA-N 1 2 366.465 2.973 20 30 FFEDLO C[C@H](CCCCNc1ccc(C#N)cn1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001090153344 989813868 /nfs/dbraw/zinc/81/38/68/989813868.db2.gz JYSNVJYMEVJDBL-DJIMGWMZSA-N 1 2 366.469 2.577 20 30 FFEDLO Cc1ccc(C#N)c(NCCCC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001090168424 989837791 /nfs/dbraw/zinc/83/77/91/989837791.db2.gz CHUKPOYCYDSTMJ-KBRIMQKVSA-N 1 2 366.469 2.875 20 30 FFEDLO Cc1ccc(C#N)c(NCCCC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC001090168424 989837803 /nfs/dbraw/zinc/83/78/03/989837803.db2.gz CHUKPOYCYDSTMJ-KBRIMQKVSA-N 1 2 366.469 2.875 20 30 FFEDLO C[C@@H](CCCCNc1ccc(C#N)cn1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001090168945 989837919 /nfs/dbraw/zinc/83/79/19/989837919.db2.gz LGMVSKTUYGMYAZ-NUEKZKHPSA-N 1 2 352.442 2.567 20 30 FFEDLO C[C@@H](CCCCNc1ccc(C#N)cn1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001090168945 989837930 /nfs/dbraw/zinc/83/79/30/989837930.db2.gz LGMVSKTUYGMYAZ-NUEKZKHPSA-N 1 2 352.442 2.567 20 30 FFEDLO CC/C(C)=C/C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001212221339 990119386 /nfs/dbraw/zinc/11/93/86/990119386.db2.gz SBOONESLNCDOKA-BDZHWRPJSA-N 1 2 360.885 2.863 20 30 FFEDLO CC/C(C)=C/C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001212221339 990119388 /nfs/dbraw/zinc/11/93/88/990119388.db2.gz SBOONESLNCDOKA-BDZHWRPJSA-N 1 2 360.885 2.863 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC1(C)CCCC1 ZINC001212223196 990135129 /nfs/dbraw/zinc/13/51/29/990135129.db2.gz JDLALQYGKMTJDM-WOJBJXKFSA-N 1 2 354.494 2.824 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC1(C)CCCC1 ZINC001212223196 990135132 /nfs/dbraw/zinc/13/51/32/990135132.db2.gz JDLALQYGKMTJDM-WOJBJXKFSA-N 1 2 354.494 2.824 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C(C)C)n3)C[C@@H]2O)CC1 ZINC001083754266 990142273 /nfs/dbraw/zinc/14/22/73/990142273.db2.gz JCCQZIGZSWTLCG-UXHICEINSA-N 1 2 357.498 2.613 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C(C)C)n3)C[C@@H]2O)CC1 ZINC001083754266 990142274 /nfs/dbraw/zinc/14/22/74/990142274.db2.gz JCCQZIGZSWTLCG-UXHICEINSA-N 1 2 357.498 2.613 20 30 FFEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000918275158 990364402 /nfs/dbraw/zinc/36/44/02/990364402.db2.gz MCAIUCHPUBPQDG-HNNXBMFYSA-N 1 2 373.844 2.578 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001008291264 1015565224 /nfs/dbraw/zinc/56/52/24/1015565224.db2.gz IWMXSMFEIJASSI-GXZWQRSESA-N 1 2 370.497 2.539 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CN(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001062179278 990678732 /nfs/dbraw/zinc/67/87/32/990678732.db2.gz ZPCWAOCHPBWDCR-NXHRZFHOSA-N 1 2 370.497 2.538 20 30 FFEDLO [NH3+]Cc1nc(=O)[nH]n1-c1ccc(C#Cc2ccc(Br)cc2)cc1 ZINC001168761592 990687420 /nfs/dbraw/zinc/68/74/20/990687420.db2.gz UBVVEHLDBGKGAQ-UHFFFAOYSA-N 1 2 369.222 2.594 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879549501 1015585043 /nfs/dbraw/zinc/58/50/43/1015585043.db2.gz RYTAFOSUSRXPRE-VBKZILBWSA-N 1 2 373.501 2.959 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)CCCCC(=O)c2ccc(OC)cc2)C1 ZINC000923565082 991259221 /nfs/dbraw/zinc/25/92/21/991259221.db2.gz COWUYSDUKMYIIH-GOSISDBHSA-N 1 2 356.466 2.652 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCCC(=O)c2ccc(OC)cc2)C1 ZINC000923565082 991259228 /nfs/dbraw/zinc/25/92/28/991259228.db2.gz COWUYSDUKMYIIH-GOSISDBHSA-N 1 2 356.466 2.652 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001063139682 991361251 /nfs/dbraw/zinc/36/12/51/991361251.db2.gz PQZRRVLHWODBHR-KSZLIROESA-N 1 2 370.497 2.681 20 30 FFEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001008598185 1015675177 /nfs/dbraw/zinc/67/51/77/1015675177.db2.gz LZZANPLQHDSDIJ-NMLBUPMWSA-N 1 2 372.896 2.840 20 30 FFEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001008598185 1015675179 /nfs/dbraw/zinc/67/51/79/1015675179.db2.gz LZZANPLQHDSDIJ-NMLBUPMWSA-N 1 2 372.896 2.840 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001079720055 992358152 /nfs/dbraw/zinc/35/81/52/992358152.db2.gz RXJKNNNQHVJHFH-UWIFEVILSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001079720055 992358162 /nfs/dbraw/zinc/35/81/62/992358162.db2.gz RXJKNNNQHVJHFH-UWIFEVILSA-N 1 2 363.889 2.653 20 30 FFEDLO C#CCOc1ccc(C[NH+]2CCN(c3nc(F)c(F)cc3F)CC2)cc1 ZINC000763620656 992467648 /nfs/dbraw/zinc/46/76/48/992467648.db2.gz UYHIPAUCDRZUDY-UHFFFAOYSA-N 1 2 361.367 2.833 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000183959659 992641339 /nfs/dbraw/zinc/64/13/39/992641339.db2.gz ZWDDIIUDVBTMIL-UHFFFAOYSA-N 1 2 363.345 2.783 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)n([C@H](C)C3CC3)n2)C1 ZINC001080012068 992648565 /nfs/dbraw/zinc/64/85/65/992648565.db2.gz PINFWJMIJVNGRY-JDSLSITLSA-N 1 2 350.894 2.965 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)n([C@H](C)C3CC3)n2)C1 ZINC001080012068 992648572 /nfs/dbraw/zinc/64/85/72/992648572.db2.gz PINFWJMIJVNGRY-JDSLSITLSA-N 1 2 350.894 2.965 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COc3ccc(F)cc3C2)C1 ZINC001080120833 992757617 /nfs/dbraw/zinc/75/76/17/992757617.db2.gz CTGVCTDIMCDYHY-DJSGYFEHSA-N 1 2 352.837 2.566 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COc3ccc(F)cc3C2)C1 ZINC001080120833 992757626 /nfs/dbraw/zinc/75/76/26/992757626.db2.gz CTGVCTDIMCDYHY-DJSGYFEHSA-N 1 2 352.837 2.566 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2noc3c2CC(C)(C)CC3)C1 ZINC001080187573 992806682 /nfs/dbraw/zinc/80/66/82/992806682.db2.gz XIOMUOLYEPYQCO-BXUZGUMPSA-N 1 2 351.878 2.992 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2noc3c2CC(C)(C)CC3)C1 ZINC001080187573 992806688 /nfs/dbraw/zinc/80/66/88/992806688.db2.gz XIOMUOLYEPYQCO-BXUZGUMPSA-N 1 2 351.878 2.992 20 30 FFEDLO CCc1nocc1C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC001080398696 993028141 /nfs/dbraw/zinc/02/81/41/993028141.db2.gz HNURFLFFQTZAHZ-AUUYWEPGSA-N 1 2 371.868 2.992 20 30 FFEDLO CCc1nocc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC001080398696 993028148 /nfs/dbraw/zinc/02/81/48/993028148.db2.gz HNURFLFFQTZAHZ-AUUYWEPGSA-N 1 2 371.868 2.992 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3nc4ccccc4n3C)C[C@H]2C)C1 ZINC001080404552 993032576 /nfs/dbraw/zinc/03/25/76/993032576.db2.gz NGBJTBXSLKNWHJ-NVXWUHKLSA-N 1 2 352.482 2.866 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3nc4ccccc4n3C)C[C@H]2C)C1 ZINC001080404552 993032583 /nfs/dbraw/zinc/03/25/83/993032583.db2.gz NGBJTBXSLKNWHJ-NVXWUHKLSA-N 1 2 352.482 2.866 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2csc(CCC)n2)C[C@H]1C ZINC001080472296 993077537 /nfs/dbraw/zinc/07/75/37/993077537.db2.gz NVGQYAFXEIIIDX-DZUCGIPZSA-N 1 2 363.527 2.623 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2csc(CCC)n2)C[C@H]1C ZINC001080472296 993077542 /nfs/dbraw/zinc/07/75/42/993077542.db2.gz NVGQYAFXEIIIDX-DZUCGIPZSA-N 1 2 363.527 2.623 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)cc3F)C[C@H]2C)cn1 ZINC001080809200 993369975 /nfs/dbraw/zinc/36/99/75/993369975.db2.gz GROGMGDEZWBIBV-BFUOFWGJSA-N 1 2 355.388 2.591 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)cc3F)C[C@H]2C)cn1 ZINC001080809200 993369980 /nfs/dbraw/zinc/36/99/80/993369980.db2.gz GROGMGDEZWBIBV-BFUOFWGJSA-N 1 2 355.388 2.591 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccc(OC)cc2)C1 ZINC001080837666 993381963 /nfs/dbraw/zinc/38/19/63/993381963.db2.gz MGPQBMOVRWJLNL-MLGOLLRUSA-N 1 2 367.287 2.583 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccc(OC)cc2)C1 ZINC001080837666 993381970 /nfs/dbraw/zinc/38/19/70/993381970.db2.gz MGPQBMOVRWJLNL-MLGOLLRUSA-N 1 2 367.287 2.583 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(F)c3F)C[C@H]2C)cn1 ZINC001080810390 993384050 /nfs/dbraw/zinc/38/40/50/993384050.db2.gz JJNNQRBDZMIQHF-FZKQIMNGSA-N 1 2 355.388 2.591 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(F)c3F)C[C@H]2C)cn1 ZINC001080810390 993384055 /nfs/dbraw/zinc/38/40/55/993384055.db2.gz JJNNQRBDZMIQHF-FZKQIMNGSA-N 1 2 355.388 2.591 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1scnc1Cl ZINC001080952862 993502743 /nfs/dbraw/zinc/50/27/43/993502743.db2.gz JYTYFOVBFPJCKG-UKRRQHHQSA-N 1 2 359.882 2.898 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1scnc1Cl ZINC001080952862 993502747 /nfs/dbraw/zinc/50/27/47/993502747.db2.gz JYTYFOVBFPJCKG-UKRRQHHQSA-N 1 2 359.882 2.898 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2C)sc1C ZINC001080966094 993521261 /nfs/dbraw/zinc/52/12/61/993521261.db2.gz JZHDPKZYLGAZHW-MEBBXXQBSA-N 1 2 360.508 2.943 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2C)sc1C ZINC001080966094 993521264 /nfs/dbraw/zinc/52/12/64/993521264.db2.gz JZHDPKZYLGAZHW-MEBBXXQBSA-N 1 2 360.508 2.943 20 30 FFEDLO COc1ccc2[nH]c3c(c2c1)CC[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)C3 ZINC000880367799 1015817069 /nfs/dbraw/zinc/81/70/69/1015817069.db2.gz RALQSFXCVRQVRL-HNNXBMFYSA-N 1 2 369.465 2.606 20 30 FFEDLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)C3 ZINC000880367799 1015817073 /nfs/dbraw/zinc/81/70/73/1015817073.db2.gz RALQSFXCVRQVRL-HNNXBMFYSA-N 1 2 369.465 2.606 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)[C@]12C[C@H]1CCC2 ZINC001081963086 994072713 /nfs/dbraw/zinc/07/27/13/994072713.db2.gz GKYAIBIQLPEMRW-XLBJILASSA-N 1 2 372.896 2.697 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)[C@]12C[C@H]1CCC2 ZINC001081963086 994072722 /nfs/dbraw/zinc/07/27/22/994072722.db2.gz GKYAIBIQLPEMRW-XLBJILASSA-N 1 2 372.896 2.697 20 30 FFEDLO C#CCC1(O)CC[NH+](CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)CC1 ZINC000880484530 1015847085 /nfs/dbraw/zinc/84/70/85/1015847085.db2.gz ZEPPVSKGEUHYKG-UHFFFAOYSA-N 1 2 369.440 2.661 20 30 FFEDLO C#CCCCCCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001082208733 994271652 /nfs/dbraw/zinc/27/16/52/994271652.db2.gz AAKLZHRNHJLRED-RCCFBDPRSA-N 1 2 370.497 2.594 20 30 FFEDLO C#CCCCCCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001082208733 994271663 /nfs/dbraw/zinc/27/16/63/994271663.db2.gz AAKLZHRNHJLRED-RCCFBDPRSA-N 1 2 370.497 2.594 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H](C)c1ccc(C)o1 ZINC001082210257 994274722 /nfs/dbraw/zinc/27/47/22/994274722.db2.gz BDBVVDHPDXILMT-QKYXUNIQSA-N 1 2 367.449 2.579 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H](C)c1ccc(C)o1 ZINC001082210257 994274734 /nfs/dbraw/zinc/27/47/34/994274734.db2.gz BDBVVDHPDXILMT-QKYXUNIQSA-N 1 2 367.449 2.579 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1CC12CCCC2 ZINC001082302393 994348148 /nfs/dbraw/zinc/34/81/48/994348148.db2.gz KPKCHMRYLYNBSL-QXAKKESOSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1CC12CCCC2 ZINC001082302393 994348156 /nfs/dbraw/zinc/34/81/56/994348156.db2.gz KPKCHMRYLYNBSL-QXAKKESOSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1CC12CCCC2 ZINC001082302989 994350094 /nfs/dbraw/zinc/35/00/94/994350094.db2.gz YQUGXSDHNYXZPN-QXAKKESOSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1CC12CCCC2 ZINC001082302989 994350105 /nfs/dbraw/zinc/35/01/05/994350105.db2.gz YQUGXSDHNYXZPN-QXAKKESOSA-N 1 2 371.456 2.593 20 30 FFEDLO C#CCCCc1nc(-c2ccc(N3CCN(c4cccc[nH+]4)CC3)nc2)no1 ZINC000809442099 994519913 /nfs/dbraw/zinc/51/99/13/994519913.db2.gz BCPMKPFSMFJZRQ-UHFFFAOYSA-N 1 2 374.448 2.809 20 30 FFEDLO CN(C)S(=O)(=O)c1ccc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000812231356 995378919 /nfs/dbraw/zinc/37/89/19/995378919.db2.gz OEDIMBJQXSQRNR-UHFFFAOYSA-N 1 2 369.450 2.569 20 30 FFEDLO C#C[C@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000812526148 995456078 /nfs/dbraw/zinc/45/60/78/995456078.db2.gz CYEJTSSDYRBJRL-SFHVURJKSA-N 1 2 369.421 2.723 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)C4CCCCC4)[C@H]3C2)s1 ZINC001082985045 995974095 /nfs/dbraw/zinc/97/40/95/995974095.db2.gz IRVJKYXGYGDTLF-ZWKOTPCHSA-N 1 2 359.495 2.612 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C4CCCCC4)[C@H]3C2)s1 ZINC001082985045 995974100 /nfs/dbraw/zinc/97/41/00/995974100.db2.gz IRVJKYXGYGDTLF-ZWKOTPCHSA-N 1 2 359.495 2.612 20 30 FFEDLO O=C(CC1CCCC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001082986784 995977302 /nfs/dbraw/zinc/97/73/02/995977302.db2.gz VBFTWYUKKMVHRK-LEWJYISDSA-N 1 2 370.468 2.669 20 30 FFEDLO O=C(CC1CCCC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001082986784 995977307 /nfs/dbraw/zinc/97/73/07/995977307.db2.gz VBFTWYUKKMVHRK-LEWJYISDSA-N 1 2 370.468 2.669 20 30 FFEDLO CC(C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]21)=C1CCC1 ZINC001083078384 996071235 /nfs/dbraw/zinc/07/12/35/996071235.db2.gz AARKACJNZAHFOC-LEWJYISDSA-N 1 2 368.452 2.589 20 30 FFEDLO CC(C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]21)=C1CCC1 ZINC001083078384 996071238 /nfs/dbraw/zinc/07/12/38/996071238.db2.gz AARKACJNZAHFOC-LEWJYISDSA-N 1 2 368.452 2.589 20 30 FFEDLO O=C(c1ccc(F)nc1)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084230283 996379575 /nfs/dbraw/zinc/37/95/75/996379575.db2.gz PSFVYRUEALKVMM-IEBWSBKVSA-N 1 2 367.399 2.558 20 30 FFEDLO O=C(c1ccc(F)nc1)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084230283 996379579 /nfs/dbraw/zinc/37/95/79/996379579.db2.gz PSFVYRUEALKVMM-IEBWSBKVSA-N 1 2 367.399 2.558 20 30 FFEDLO C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21)n1cccc1 ZINC001084285613 996390583 /nfs/dbraw/zinc/39/05/83/996390583.db2.gz JLOOOUVFQCZFLE-WRWLIDTKSA-N 1 2 366.440 2.793 20 30 FFEDLO C[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21)n1cccc1 ZINC001084285613 996390590 /nfs/dbraw/zinc/39/05/90/996390590.db2.gz JLOOOUVFQCZFLE-WRWLIDTKSA-N 1 2 366.440 2.793 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@@H+](Cc4cccc(F)c4F)C[C@H]32)c1 ZINC001084261377 996406264 /nfs/dbraw/zinc/40/62/64/996406264.db2.gz HSFVAJLKDKSNAK-CXAGYDPISA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(F)c4F)C[C@H]32)c1 ZINC001084261377 996406267 /nfs/dbraw/zinc/40/62/67/996406267.db2.gz HSFVAJLKDKSNAK-CXAGYDPISA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CCCCO4)[C@@H]3C2)c1 ZINC001084272213 996418394 /nfs/dbraw/zinc/41/83/94/996418394.db2.gz QGQGHMKWJBCALM-IMFGXOCKSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CCCCO4)[C@@H]3C2)c1 ZINC001084272213 996418397 /nfs/dbraw/zinc/41/83/97/996418397.db2.gz QGQGHMKWJBCALM-IMFGXOCKSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cncc(F)c4)[C@@H]3C2)cc1F ZINC001084273684 996419581 /nfs/dbraw/zinc/41/95/81/996419581.db2.gz LYABELARRVLWET-DNVCBOLYSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cncc(F)c4)[C@@H]3C2)cc1F ZINC001084273684 996419585 /nfs/dbraw/zinc/41/95/85/996419585.db2.gz LYABELARRVLWET-DNVCBOLYSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCCOCC4)[C@@H]3C2)c(F)c1 ZINC001084311631 996443592 /nfs/dbraw/zinc/44/35/92/996443592.db2.gz SFUBODUKSNVHGN-YVWKXTFCSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCCOCC4)[C@@H]3C2)c(F)c1 ZINC001084311631 996443597 /nfs/dbraw/zinc/44/35/97/996443597.db2.gz SFUBODUKSNVHGN-YVWKXTFCSA-N 1 2 371.456 2.547 20 30 FFEDLO COc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)ccc1Cl ZINC001084333867 996463530 /nfs/dbraw/zinc/46/35/30/996463530.db2.gz DNQLAEOMXZJCDT-SJLPKXTDSA-N 1 2 358.869 2.795 20 30 FFEDLO COc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)ccc1Cl ZINC001084333867 996463532 /nfs/dbraw/zinc/46/35/32/996463532.db2.gz DNQLAEOMXZJCDT-SJLPKXTDSA-N 1 2 358.869 2.795 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3COc4ccccc4O3)[C@@H]2C1 ZINC001084376320 996501263 /nfs/dbraw/zinc/50/12/63/996501263.db2.gz VHXQQBYRJIIUOU-OWCLPIDISA-N 1 2 362.857 2.502 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3COc4ccccc4O3)[C@@H]2C1 ZINC001084376320 996501268 /nfs/dbraw/zinc/50/12/68/996501268.db2.gz VHXQQBYRJIIUOU-OWCLPIDISA-N 1 2 362.857 2.502 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(C(C)(C)C)c3C)[C@@H]2C1 ZINC001084388044 996528938 /nfs/dbraw/zinc/52/89/38/996528938.db2.gz COGYVEKSSSIBMB-GDBMZVCRSA-N 1 2 350.894 2.845 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(C(C)(C)C)c3C)[C@@H]2C1 ZINC001084388044 996528943 /nfs/dbraw/zinc/52/89/43/996528943.db2.gz COGYVEKSSSIBMB-GDBMZVCRSA-N 1 2 350.894 2.845 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000803668138 1016043494 /nfs/dbraw/zinc/04/34/94/1016043494.db2.gz IWZAFUZHTXSIDG-UHFFFAOYSA-N 1 2 373.478 2.600 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C4CC4)no3)C[C@H]21 ZINC001084409336 996555376 /nfs/dbraw/zinc/55/53/76/996555376.db2.gz TZMOWVLDCPGINR-OXQOHEQNSA-N 1 2 366.465 2.886 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C4CC4)no3)C[C@H]21 ZINC001084409336 996555380 /nfs/dbraw/zinc/55/53/80/996555380.db2.gz TZMOWVLDCPGINR-OXQOHEQNSA-N 1 2 366.465 2.886 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cnc4ccccn34)[C@@H]2C1 ZINC001084467510 996578327 /nfs/dbraw/zinc/57/83/27/996578327.db2.gz BTLDLMWOIDGFAW-UYAOXDASSA-N 1 2 371.444 2.552 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4ccccn34)[C@@H]2C1 ZINC001084467510 996578329 /nfs/dbraw/zinc/57/83/29/996578329.db2.gz BTLDLMWOIDGFAW-UYAOXDASSA-N 1 2 371.444 2.552 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21)C(F)(F)F ZINC001084581746 996695642 /nfs/dbraw/zinc/69/56/42/996695642.db2.gz SSHGYNVNXVCXJZ-APHBMKBZSA-N 1 2 351.372 2.789 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21)C(F)(F)F ZINC001084581746 996695645 /nfs/dbraw/zinc/69/56/45/996695645.db2.gz SSHGYNVNXVCXJZ-APHBMKBZSA-N 1 2 351.372 2.789 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1nc3ccccn3c1C)CCC2 ZINC001137269191 1016057065 /nfs/dbraw/zinc/05/70/65/1016057065.db2.gz DKLYCXMLKDTSFW-UHFFFAOYSA-N 1 2 351.454 2.948 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1nc3ccccn3c1C)CCC2 ZINC001137269191 1016057074 /nfs/dbraw/zinc/05/70/74/1016057074.db2.gz DKLYCXMLKDTSFW-UHFFFAOYSA-N 1 2 351.454 2.948 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]5C[C@H]5C4)[C@@H]3C2)c1 ZINC001084597669 996716261 /nfs/dbraw/zinc/71/62/61/996716261.db2.gz XTMABTIOPDZTPD-GFAJBQDWSA-N 1 2 353.441 2.776 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]5C[C@H]5C4)[C@@H]3C2)c1 ZINC001084597669 996716266 /nfs/dbraw/zinc/71/62/66/996716266.db2.gz XTMABTIOPDZTPD-GFAJBQDWSA-N 1 2 353.441 2.776 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)cc3F)C[C@H]21 ZINC001084672897 996823236 /nfs/dbraw/zinc/82/32/36/996823236.db2.gz UAQVGPHLNMZTQC-OPNNQBFTSA-N 1 2 362.420 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)cc3F)C[C@H]21 ZINC001084672897 996823256 /nfs/dbraw/zinc/82/32/56/996823256.db2.gz UAQVGPHLNMZTQC-OPNNQBFTSA-N 1 2 362.420 2.589 20 30 FFEDLO C#CC[NH+]1CCN(Cc2c(Cl)nccc2NC(=O)OC(C)(C)C)CC1 ZINC001136899230 996994599 /nfs/dbraw/zinc/99/45/99/996994599.db2.gz QIOBERMNUJPVGV-UHFFFAOYSA-N 1 2 364.877 2.833 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4coc(C5CC5)n4)[C@@H]3C2)s1 ZINC001084705862 997014603 /nfs/dbraw/zinc/01/46/03/997014603.db2.gz UIAMFHKMKJOECX-CXAGYDPISA-N 1 2 368.462 2.832 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4coc(C5CC5)n4)[C@@H]3C2)s1 ZINC001084705862 997014614 /nfs/dbraw/zinc/01/46/14/997014614.db2.gz UIAMFHKMKJOECX-CXAGYDPISA-N 1 2 368.462 2.832 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)ccn1 ZINC001084731381 997110033 /nfs/dbraw/zinc/11/00/33/997110033.db2.gz WHXXPJYUFXGYHQ-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)ccn1 ZINC001084731381 997110042 /nfs/dbraw/zinc/11/00/42/997110042.db2.gz WHXXPJYUFXGYHQ-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccnc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001143701196 997537651 /nfs/dbraw/zinc/53/76/51/997537651.db2.gz VSPASSCDGDQFHK-UHFFFAOYSA-N 1 2 374.441 2.707 20 30 FFEDLO C=CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1c1ccc(OC)cc1 ZINC001090872347 997542032 /nfs/dbraw/zinc/54/20/32/997542032.db2.gz KUXFDAAXYPDQAU-ZNMIVQPWSA-N 1 2 360.351 2.666 20 30 FFEDLO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1c1ccc(OC)cc1 ZINC001090872347 997542038 /nfs/dbraw/zinc/54/20/38/997542038.db2.gz KUXFDAAXYPDQAU-ZNMIVQPWSA-N 1 2 360.351 2.666 20 30 FFEDLO N#Cc1cccc(Cl)c1C[N@@H+]1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001143719128 997572314 /nfs/dbraw/zinc/57/23/14/997572314.db2.gz SSPCQVHQOLIWFK-KFKAGJAMSA-N 1 2 373.884 2.813 20 30 FFEDLO N#Cc1cccc(Cl)c1C[N@H+]1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001143719128 997572323 /nfs/dbraw/zinc/57/23/23/997572323.db2.gz SSPCQVHQOLIWFK-KFKAGJAMSA-N 1 2 373.884 2.813 20 30 FFEDLO CCn1cccc1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084834842 997587902 /nfs/dbraw/zinc/58/79/02/997587902.db2.gz WSBPRTUCNSTNGS-OXQOHEQNSA-N 1 2 366.440 2.865 20 30 FFEDLO CCn1cccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084834842 997587912 /nfs/dbraw/zinc/58/79/12/997587912.db2.gz WSBPRTUCNSTNGS-OXQOHEQNSA-N 1 2 366.440 2.865 20 30 FFEDLO C#CC[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000844000910 997598015 /nfs/dbraw/zinc/59/80/15/997598015.db2.gz KCHJNPQKNQADFI-MSOLQXFVSA-N 1 2 357.473 2.598 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3Cc4cc(C)c(C)cc4O3)[C@@H]2C1 ZINC001084844619 997634626 /nfs/dbraw/zinc/63/46/26/997634626.db2.gz AQEZAUANIJQBJD-SUMDDJOVSA-N 1 2 360.885 2.892 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3Cc4cc(C)c(C)cc4O3)[C@@H]2C1 ZINC001084844619 997634630 /nfs/dbraw/zinc/63/46/30/997634630.db2.gz AQEZAUANIJQBJD-SUMDDJOVSA-N 1 2 360.885 2.892 20 30 FFEDLO CC(C)COC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000844287232 997773364 /nfs/dbraw/zinc/77/33/64/997773364.db2.gz DHOJJDMEMZSDLE-UHFFFAOYSA-N 1 2 360.414 2.767 20 30 FFEDLO CC(C)COC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000844287232 997773372 /nfs/dbraw/zinc/77/33/72/997773372.db2.gz DHOJJDMEMZSDLE-UHFFFAOYSA-N 1 2 360.414 2.767 20 30 FFEDLO Cc1ocnc1C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001084900975 997959611 /nfs/dbraw/zinc/95/96/11/997959611.db2.gz YCPMGFNVTNGAJZ-KDOFPFPSSA-N 1 2 368.412 2.730 20 30 FFEDLO Cc1ocnc1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001084900975 997959622 /nfs/dbraw/zinc/95/96/22/997959622.db2.gz YCPMGFNVTNGAJZ-KDOFPFPSSA-N 1 2 368.412 2.730 20 30 FFEDLO Cc1cc(N2CC[NH+](Cc3cncc(C#N)c3)CC2)n(-c2ccccc2)n1 ZINC001144083741 998001469 /nfs/dbraw/zinc/00/14/69/998001469.db2.gz RGUBJFQRZHVVMU-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO CC(C)c1cnc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)o1 ZINC001084921458 998115477 /nfs/dbraw/zinc/11/54/77/998115477.db2.gz AWKXXLNYIICEOF-PBHICJAKSA-N 1 2 367.453 2.734 20 30 FFEDLO CC(C)c1cnc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)o1 ZINC001084921458 998115486 /nfs/dbraw/zinc/11/54/86/998115486.db2.gz AWKXXLNYIICEOF-PBHICJAKSA-N 1 2 367.453 2.734 20 30 FFEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2cc3ccccc3nc2OCCC)CC1 ZINC000731687497 998124402 /nfs/dbraw/zinc/12/44/02/998124402.db2.gz RRRYNDLMSNRXKW-MDZDMXLPSA-N 1 2 363.461 2.814 20 30 FFEDLO CC(C)C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ncccc2C#N)C1)n1cc[nH+]c1 ZINC001091008949 998172752 /nfs/dbraw/zinc/17/27/52/998172752.db2.gz MTBYXRFSLCQRIA-KBAYOESNSA-N 1 2 366.469 2.696 20 30 FFEDLO CO[C@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1)C1CC1 ZINC001084932954 998181945 /nfs/dbraw/zinc/18/19/45/998181945.db2.gz YYCXMRSEZUCLLB-UAOJZALGSA-N 1 2 371.456 2.545 20 30 FFEDLO CO[C@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1)C1CC1 ZINC001084932954 998181949 /nfs/dbraw/zinc/18/19/49/998181949.db2.gz YYCXMRSEZUCLLB-UAOJZALGSA-N 1 2 371.456 2.545 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C(F)C(F)(F)F)C[C@@H]32)c1 ZINC001084946376 998265254 /nfs/dbraw/zinc/26/52/54/998265254.db2.gz GHLJCOWMAKEYFU-OWCLPIDISA-N 1 2 369.362 2.881 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C(F)C(F)(F)F)C[C@@H]32)c1 ZINC001084946376 998265263 /nfs/dbraw/zinc/26/52/63/998265263.db2.gz GHLJCOWMAKEYFU-OWCLPIDISA-N 1 2 369.362 2.881 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(C)cn3)[C@H]2C1 ZINC001084948896 998273938 /nfs/dbraw/zinc/27/39/38/998273938.db2.gz KAZKKYGXHRQTKT-CVEARBPZSA-N 1 2 362.905 2.987 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(C)cn3)[C@H]2C1 ZINC001084948896 998273945 /nfs/dbraw/zinc/27/39/45/998273945.db2.gz KAZKKYGXHRQTKT-CVEARBPZSA-N 1 2 362.905 2.987 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ncc(C2CC2)o1 ZINC001049740012 1016227108 /nfs/dbraw/zinc/22/71/08/1016227108.db2.gz IMLMODDIAYPIEY-OWSLCNJRSA-N 1 2 371.481 2.708 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ncc(C2CC2)o1 ZINC001049740012 1016227118 /nfs/dbraw/zinc/22/71/18/1016227118.db2.gz IMLMODDIAYPIEY-OWSLCNJRSA-N 1 2 371.481 2.708 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(-c4ccco4)no3)[C@H]2C1 ZINC001085006324 998659470 /nfs/dbraw/zinc/65/94/70/998659470.db2.gz MTBZPQLVQMSUAK-CABCVRRESA-N 1 2 370.453 2.965 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(-c4ccco4)no3)[C@H]2C1 ZINC001085006324 998659474 /nfs/dbraw/zinc/65/94/74/998659474.db2.gz MTBZPQLVQMSUAK-CABCVRRESA-N 1 2 370.453 2.965 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(C(C)C)o4)[C@H]3C2)C1 ZINC001085027227 998712825 /nfs/dbraw/zinc/71/28/25/998712825.db2.gz UCVZGBODLQJPNH-CVEARBPZSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc(C(C)C)o4)[C@H]3C2)C1 ZINC001085027227 998712828 /nfs/dbraw/zinc/71/28/28/998712828.db2.gz UCVZGBODLQJPNH-CVEARBPZSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1Cc3cccc(F)c3O1)C2 ZINC001096577808 1016277039 /nfs/dbraw/zinc/27/70/39/1016277039.db2.gz ZJYDQQHCHYNYGZ-SYAUCNOPSA-N 1 2 350.821 2.603 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1Cc3cccc(F)c3O1)C2 ZINC001096577808 1016277048 /nfs/dbraw/zinc/27/70/48/1016277048.db2.gz ZJYDQQHCHYNYGZ-SYAUCNOPSA-N 1 2 350.821 2.603 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001065348130 999107094 /nfs/dbraw/zinc/10/70/94/999107094.db2.gz DUMZULGURDAONK-LLGFUMIMSA-N 1 2 370.497 2.729 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001065348131 999107150 /nfs/dbraw/zinc/10/71/50/999107150.db2.gz DUMZULGURDAONK-WWMYMODYSA-N 1 2 370.497 2.729 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066205588 999147899 /nfs/dbraw/zinc/14/78/99/999147899.db2.gz SAPQAYYYODKBSC-RCCFBDPRSA-N 1 2 370.497 2.779 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066205588 999147908 /nfs/dbraw/zinc/14/79/08/999147908.db2.gz SAPQAYYYODKBSC-RCCFBDPRSA-N 1 2 370.497 2.779 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1noc(C)n1 ZINC001085406533 999469692 /nfs/dbraw/zinc/46/96/92/999469692.db2.gz KCDFHELBUZCPSS-GDIGMMSISA-N 1 2 366.465 2.680 20 30 FFEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001085604583 999592563 /nfs/dbraw/zinc/59/25/63/999592563.db2.gz MAQDUXCQLOAIDB-QHAWAJNXSA-N 1 2 360.461 2.790 20 30 FFEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001085604583 999592566 /nfs/dbraw/zinc/59/25/66/999592566.db2.gz MAQDUXCQLOAIDB-QHAWAJNXSA-N 1 2 360.461 2.790 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#Cc2cccc(Cl)c2)O1 ZINC001085826639 999643302 /nfs/dbraw/zinc/64/33/02/999643302.db2.gz UFKOWEOTSXVCCR-AYOQOUSVSA-N 1 2 360.885 2.792 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CC#Cc2cccc(Cl)c2)O1 ZINC001085826639 999643303 /nfs/dbraw/zinc/64/33/03/999643303.db2.gz UFKOWEOTSXVCCR-AYOQOUSVSA-N 1 2 360.885 2.792 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001085869008 999666175 /nfs/dbraw/zinc/66/61/75/999666175.db2.gz GAJMBXWYKCIYNY-BJLQDIEVSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001085869008 999666176 /nfs/dbraw/zinc/66/61/76/999666176.db2.gz GAJMBXWYKCIYNY-BJLQDIEVSA-N 1 2 371.456 2.711 20 30 FFEDLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000741147685 999711591 /nfs/dbraw/zinc/71/15/91/999711591.db2.gz LFPOYQYOOAMXRZ-SJLPKXTDSA-N 1 2 357.454 2.739 20 30 FFEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000741147685 999711589 /nfs/dbraw/zinc/71/15/89/999711589.db2.gz LFPOYQYOOAMXRZ-SJLPKXTDSA-N 1 2 357.454 2.739 20 30 FFEDLO Cc1cccc(C2(O)CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1C ZINC000741811108 999743874 /nfs/dbraw/zinc/74/38/74/999743874.db2.gz YHHSLDVDGLUVEI-HXUWFJFHSA-N 1 2 363.461 2.685 20 30 FFEDLO Cc1cc(C(N)=[NH+]OCC(=O)N[C@@H](C)Cc2ccccc2C)ccc1F ZINC000742354750 999769292 /nfs/dbraw/zinc/76/92/92/999769292.db2.gz SHNAYYJGODGHMK-HNNXBMFYSA-N 1 2 357.429 2.827 20 30 FFEDLO N#Cc1cccnc1NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066452028 999820200 /nfs/dbraw/zinc/82/02/00/999820200.db2.gz SVFRXDONIWSLHK-MWQQHZPXSA-N 1 2 364.453 2.567 20 30 FFEDLO N#Cc1cccnc1NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066452028 999820202 /nfs/dbraw/zinc/82/02/02/999820202.db2.gz SVFRXDONIWSLHK-MWQQHZPXSA-N 1 2 364.453 2.567 20 30 FFEDLO C[C@@]1(CNC(=O)[C@@H]2C[C@H]2C2CCC2)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108269749 999877268 /nfs/dbraw/zinc/87/72/68/999877268.db2.gz OTIGWXMBXMYQKP-TUNNFDKTSA-N 1 2 367.493 2.702 20 30 FFEDLO C[C@@]1(CNC(=O)[C@@H]2C[C@H]2C2CCC2)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108269749 999877269 /nfs/dbraw/zinc/87/72/69/999877269.db2.gz OTIGWXMBXMYQKP-TUNNFDKTSA-N 1 2 367.493 2.702 20 30 FFEDLO N#Cc1c2c(cn(C[N@@H+](Cc3ccccc3)C[C@H]3CCCO3)c1=O)CCC2 ZINC000766613021 1000028727 /nfs/dbraw/zinc/02/87/27/1000028727.db2.gz RZIPSRIFPLHVGW-LJQANCHMSA-N 1 2 363.461 2.847 20 30 FFEDLO N#Cc1c2c(cn(C[N@H+](Cc3ccccc3)C[C@H]3CCCO3)c1=O)CCC2 ZINC000766613021 1000028729 /nfs/dbraw/zinc/02/87/29/1000028729.db2.gz RZIPSRIFPLHVGW-LJQANCHMSA-N 1 2 363.461 2.847 20 30 FFEDLO Cc1c2ccccc2sc1C[NH+]1CC2(C1)CN(CCCC#N)C(=O)CO2 ZINC001276131107 1016379644 /nfs/dbraw/zinc/37/96/44/1016379644.db2.gz ISHVVGZNYDNHFS-UHFFFAOYSA-N 1 2 369.490 2.927 20 30 FFEDLO CC(C)OCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001108962357 1000139305 /nfs/dbraw/zinc/13/93/05/1000139305.db2.gz FXFOYIFPSRHCGU-NEWSRXKRSA-N 1 2 359.445 2.734 20 30 FFEDLO CC(C)OCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001108962357 1000139306 /nfs/dbraw/zinc/13/93/06/1000139306.db2.gz FXFOYIFPSRHCGU-NEWSRXKRSA-N 1 2 359.445 2.734 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001108999209 1000146784 /nfs/dbraw/zinc/14/67/84/1000146784.db2.gz MTGCXINSOKVAIR-CZGNIMDHSA-N 1 2 372.484 2.960 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001108999209 1000146787 /nfs/dbraw/zinc/14/67/87/1000146787.db2.gz MTGCXINSOKVAIR-CZGNIMDHSA-N 1 2 372.484 2.960 20 30 FFEDLO CSC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109075934 1000162581 /nfs/dbraw/zinc/16/25/81/1000162581.db2.gz ITXKTQGSGFCSMA-FXBSTXGRSA-N 1 2 361.486 2.918 20 30 FFEDLO CSC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109075934 1000162582 /nfs/dbraw/zinc/16/25/82/1000162582.db2.gz ITXKTQGSGFCSMA-FXBSTXGRSA-N 1 2 361.486 2.918 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001096640655 1016392419 /nfs/dbraw/zinc/39/24/19/1016392419.db2.gz BXNIOCWLFBAWDQ-ILXRZTDVSA-N 1 2 361.833 2.937 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001096640655 1016392430 /nfs/dbraw/zinc/39/24/30/1016392430.db2.gz BXNIOCWLFBAWDQ-ILXRZTDVSA-N 1 2 361.833 2.937 20 30 FFEDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)C)C3)c1 ZINC001109250761 1000201655 /nfs/dbraw/zinc/20/16/55/1000201655.db2.gz UOTAGWJFYLMJKI-RNQOJCNYSA-N 1 2 367.493 2.703 20 30 FFEDLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)C)C3)c1 ZINC001109250761 1000201657 /nfs/dbraw/zinc/20/16/57/1000201657.db2.gz UOTAGWJFYLMJKI-RNQOJCNYSA-N 1 2 367.493 2.703 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nocc1C ZINC001109281583 1000224362 /nfs/dbraw/zinc/22/43/62/1000224362.db2.gz LRYFIKBHOQUPAC-AOIWGVFYSA-N 1 2 361.486 2.968 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nocc1C ZINC001109281583 1000224366 /nfs/dbraw/zinc/22/43/66/1000224366.db2.gz LRYFIKBHOQUPAC-AOIWGVFYSA-N 1 2 361.486 2.968 20 30 FFEDLO Cc1nc(N2CC[C@@H]3CCN(C(=O)C#CC(C)(C)C)C[C@@H]32)c(C)c(C)[nH+]1 ZINC001091211337 1000260290 /nfs/dbraw/zinc/26/02/90/1000260290.db2.gz GACHDUXQHRLBIT-ROUUACIJSA-N 1 2 354.498 2.879 20 30 FFEDLO Cc1cc(N[C@@H]2CCCC[C@H]2NC(=O)CSCC#N)nc(C2CC2)[nH+]1 ZINC001091239368 1000317213 /nfs/dbraw/zinc/31/72/13/1000317213.db2.gz VBHDMJBQHJKTRV-HUUCEWRRSA-N 1 2 359.499 2.759 20 30 FFEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC[C@H]1Nc1cccc(F)c1C#N ZINC001091272885 1000350852 /nfs/dbraw/zinc/35/08/52/1000350852.db2.gz HEVLAVNDFJMHHN-RTBURBONSA-N 1 2 369.444 2.903 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@H+]([C@@H](C)Cc1cccc(C#N)c1)[C@@H]2C ZINC001171232399 1000373422 /nfs/dbraw/zinc/37/34/22/1000373422.db2.gz REVLTWVTOSOEPQ-LSDHHAIUSA-N 1 2 352.438 2.939 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)[C@@H]2C ZINC001171232399 1000373426 /nfs/dbraw/zinc/37/34/26/1000373426.db2.gz REVLTWVTOSOEPQ-LSDHHAIUSA-N 1 2 352.438 2.939 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC001091292774 1000378101 /nfs/dbraw/zinc/37/81/01/1000378101.db2.gz JYHTWSDCPFUXCU-DBXWQHBBSA-N 1 2 371.529 2.906 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001091292774 1000378107 /nfs/dbraw/zinc/37/81/07/1000378107.db2.gz JYHTWSDCPFUXCU-DBXWQHBBSA-N 1 2 371.529 2.906 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC(F)F)C3)c(F)c1 ZINC001109530794 1000608656 /nfs/dbraw/zinc/60/86/56/1000608656.db2.gz ACDYAZCFXUXSLX-KBMXLJTQSA-N 1 2 351.372 2.964 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC(F)F)C3)c(F)c1 ZINC001109530794 1000608662 /nfs/dbraw/zinc/60/86/62/1000608662.db2.gz ACDYAZCFXUXSLX-KBMXLJTQSA-N 1 2 351.372 2.964 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F)C1CCC1 ZINC001109573263 1000661990 /nfs/dbraw/zinc/66/19/90/1000661990.db2.gz FRISWAIRSPKFSM-GTAWCEEGSA-N 1 2 371.456 2.734 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F)C1CCC1 ZINC001109573263 1000661995 /nfs/dbraw/zinc/66/19/95/1000661995.db2.gz FRISWAIRSPKFSM-GTAWCEEGSA-N 1 2 371.456 2.734 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)c1ccco1 ZINC001109597795 1000702920 /nfs/dbraw/zinc/70/29/20/1000702920.db2.gz WYWMEJDBMFXLSK-YVSFHVDLSA-N 1 2 373.497 2.781 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)c1ccco1 ZINC001109597795 1000702925 /nfs/dbraw/zinc/70/29/25/1000702925.db2.gz WYWMEJDBMFXLSK-YVSFHVDLSA-N 1 2 373.497 2.781 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001109632875 1000749932 /nfs/dbraw/zinc/74/99/32/1000749932.db2.gz GTAPNCUMUUURGD-OAOYMFHYSA-N 1 2 373.541 2.615 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001109632875 1000749939 /nfs/dbraw/zinc/74/99/39/1000749939.db2.gz GTAPNCUMUUURGD-OAOYMFHYSA-N 1 2 373.541 2.615 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCC1 ZINC001109682144 1000836897 /nfs/dbraw/zinc/83/68/97/1000836897.db2.gz VKDLVGVUEGHAIW-WKRCXCSHSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCC1 ZINC001109682144 1000836901 /nfs/dbraw/zinc/83/69/01/1000836901.db2.gz VKDLVGVUEGHAIW-WKRCXCSHSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CCCC2)CCC1 ZINC001109683219 1000839468 /nfs/dbraw/zinc/83/94/68/1000839468.db2.gz BWRIOTRFSVALLH-SQNIBIBYSA-N 1 2 359.514 2.513 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CCCC2)CCC1 ZINC001109683219 1000839478 /nfs/dbraw/zinc/83/94/78/1000839478.db2.gz BWRIOTRFSVALLH-SQNIBIBYSA-N 1 2 359.514 2.513 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091627040 1000878946 /nfs/dbraw/zinc/87/89/46/1000878946.db2.gz RMDKJNKXFYEVMM-SOUVJXGZSA-N 1 2 356.474 2.662 20 30 FFEDLO Cc1ccc(C#N)c(N[C@@H]2CC[C@H](CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)n1 ZINC001091640294 1000928712 /nfs/dbraw/zinc/92/87/12/1000928712.db2.gz HXPZSIIYRBMUAC-JLJPHGGASA-N 1 2 366.469 2.560 20 30 FFEDLO Cc1ccc(C#N)c(N[C@@H]2CC[C@H](CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)n1 ZINC001091640294 1000928715 /nfs/dbraw/zinc/92/87/15/1000928715.db2.gz HXPZSIIYRBMUAC-JLJPHGGASA-N 1 2 366.469 2.560 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091656871 1000978577 /nfs/dbraw/zinc/97/85/77/1000978577.db2.gz VMNTZOBIIBAHOM-RYQLBKOJSA-N 1 2 368.485 2.527 20 30 FFEDLO CCC(CC)c1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#CCOC)on1 ZINC001109814194 1001037737 /nfs/dbraw/zinc/03/77/37/1001037737.db2.gz QINQEMVKNOZOOY-NJAFHUGGSA-N 1 2 359.470 2.563 20 30 FFEDLO CCC(CC)c1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#CCOC)on1 ZINC001109814194 1001037744 /nfs/dbraw/zinc/03/77/44/1001037744.db2.gz QINQEMVKNOZOOY-NJAFHUGGSA-N 1 2 359.470 2.563 20 30 FFEDLO C=CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC001091692662 1001065748 /nfs/dbraw/zinc/06/57/48/1001065748.db2.gz KSCBIGYKRLRFMG-CABCVRRESA-N 1 2 356.474 2.759 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](C)[C@H]1CCCNc1cc[nH+]c(C)n1 ZINC001091702564 1001094005 /nfs/dbraw/zinc/09/40/05/1001094005.db2.gz GGLWPMAEDFIGOO-WRWLIDTKSA-N 1 2 360.502 2.931 20 30 FFEDLO C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1CCCNc1ncccc1C#N ZINC001091710085 1001123644 /nfs/dbraw/zinc/12/36/44/1001123644.db2.gz QYLSMWMAQDKECK-CRAIPNDOSA-N 1 2 366.469 2.738 20 30 FFEDLO Cc1ccc(C#N)cc1NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001148862509 1001224039 /nfs/dbraw/zinc/22/40/39/1001224039.db2.gz BNVYGZHLROWAQC-UHFFFAOYSA-N 1 2 372.469 2.794 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccncc2)C3)c(F)c1 ZINC001096730921 1016481967 /nfs/dbraw/zinc/48/19/67/1016481967.db2.gz QBQUDLIGCRHKAK-QRQLOZEOSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccncc2)C3)c(F)c1 ZINC001096730921 1016481978 /nfs/dbraw/zinc/48/19/78/1016481978.db2.gz QBQUDLIGCRHKAK-QRQLOZEOSA-N 1 2 350.397 2.628 20 30 FFEDLO COCC[N@H+](CC(=O)/C=C1/N(C)c2ccccc2C1(C)C)[C@H]1CCOC1 ZINC000786189632 1001546015 /nfs/dbraw/zinc/54/60/15/1001546015.db2.gz JEJMBEBCFSFKGW-UOEVCUDDSA-N 1 2 358.482 2.604 20 30 FFEDLO COCC[N@@H+](CC(=O)/C=C1/N(C)c2ccccc2C1(C)C)[C@H]1CCOC1 ZINC000786189632 1001546019 /nfs/dbraw/zinc/54/60/19/1001546019.db2.gz JEJMBEBCFSFKGW-UOEVCUDDSA-N 1 2 358.482 2.604 20 30 FFEDLO CC#CCCCCCCCC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001182767203 1002047297 /nfs/dbraw/zinc/04/72/97/1002047297.db2.gz NULCSURNQVMPAE-UHFFFAOYSA-N 1 2 360.502 2.908 20 30 FFEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@@H](C#N)c1c(Cl)cccc1Cl ZINC001183128336 1002159495 /nfs/dbraw/zinc/15/94/95/1002159495.db2.gz RUFFFMXBAVEDSH-STQMWFEESA-N 1 2 370.280 2.828 20 30 FFEDLO C[C@H]1COCC[N@H+]1CCNC(=O)C[C@@H](C#N)c1c(Cl)cccc1Cl ZINC001183128336 1002159504 /nfs/dbraw/zinc/15/95/04/1002159504.db2.gz RUFFFMXBAVEDSH-STQMWFEESA-N 1 2 370.280 2.828 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)C/C(C)=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000789761984 1002181747 /nfs/dbraw/zinc/18/17/47/1002181747.db2.gz OHZYKNDKFPTMJX-GHRIWEEISA-N 1 2 368.437 2.976 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)C/C(C)=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000789761984 1002181751 /nfs/dbraw/zinc/18/17/51/1002181751.db2.gz OHZYKNDKFPTMJX-GHRIWEEISA-N 1 2 368.437 2.976 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3CCC)C[C@@]2(C)C1 ZINC001091977914 1002238464 /nfs/dbraw/zinc/23/84/64/1002238464.db2.gz AFLTUEOQAMJCGK-UXPWSPDFSA-N 1 2 359.518 2.571 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3CCC)C[C@@]2(C)C1 ZINC001091977914 1002238469 /nfs/dbraw/zinc/23/84/69/1002238469.db2.gz AFLTUEOQAMJCGK-UXPWSPDFSA-N 1 2 359.518 2.571 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C)s4)C[C@@]3(C)C2)CC1 ZINC001091978917 1002239315 /nfs/dbraw/zinc/23/93/15/1002239315.db2.gz LHLNHYASRPXZPE-APWZRJJASA-N 1 2 360.527 2.873 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C)s4)C[C@@]3(C)C2)CC1 ZINC001091978917 1002239322 /nfs/dbraw/zinc/23/93/22/1002239322.db2.gz LHLNHYASRPXZPE-APWZRJJASA-N 1 2 360.527 2.873 20 30 FFEDLO Cc1[nH]nc(Cl)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001095513451 1016594149 /nfs/dbraw/zinc/59/41/49/1016594149.db2.gz YNNSKJAIZMDKSO-IKGGRYGDSA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1[nH]nc(Cl)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001095513451 1016594160 /nfs/dbraw/zinc/59/41/60/1016594160.db2.gz YNNSKJAIZMDKSO-IKGGRYGDSA-N 1 2 368.868 2.758 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](Nc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001096830557 1016603843 /nfs/dbraw/zinc/60/38/43/1016603843.db2.gz YAPOSWZWJFNPKW-LNLFQRSKSA-N 1 2 370.497 2.950 20 30 FFEDLO C[C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CC1 ZINC001183828239 1002400433 /nfs/dbraw/zinc/40/04/33/1002400433.db2.gz DRSQQSVGUXAFKP-RBBKRZOGSA-N 1 2 369.509 2.924 20 30 FFEDLO C[C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)CC1 ZINC001183828239 1002400438 /nfs/dbraw/zinc/40/04/38/1002400438.db2.gz DRSQQSVGUXAFKP-RBBKRZOGSA-N 1 2 369.509 2.924 20 30 FFEDLO C#CC[C@]1(C(=O)Nc2cc[nH+]c3c2CCC3)CCCN1C(=O)OC(C)(C)C ZINC001184102858 1002489198 /nfs/dbraw/zinc/48/91/98/1002489198.db2.gz NFKXOOKPSHGJFK-OAQYLSRUSA-N 1 2 369.465 2.724 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2n[nH]c3c2CCC3)C1 ZINC001086597250 1002647987 /nfs/dbraw/zinc/64/79/87/1002647987.db2.gz USUSTXIYOGPERG-FUHWJXTLSA-N 1 2 370.884 2.849 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2n[nH]c3c2CCC3)C1 ZINC001086597250 1002647996 /nfs/dbraw/zinc/64/79/96/1002647996.db2.gz USUSTXIYOGPERG-FUHWJXTLSA-N 1 2 370.884 2.849 20 30 FFEDLO N#Cc1c(Cl)cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)nc1Cl ZINC001184801177 1002722195 /nfs/dbraw/zinc/72/21/95/1002722195.db2.gz QJQYPDYYXZWLSF-UHFFFAOYSA-N 1 2 350.209 2.934 20 30 FFEDLO C=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001086605916 1002957718 /nfs/dbraw/zinc/95/77/18/1002957718.db2.gz BOAZPONFGRPUTN-RBUKOAKNSA-N 1 2 353.466 2.725 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113933125 1003249262 /nfs/dbraw/zinc/24/92/62/1003249262.db2.gz OYACZCLXVMQESQ-ZACQAIPSSA-N 1 2 360.502 2.831 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001092584218 1003262174 /nfs/dbraw/zinc/26/21/74/1003262174.db2.gz LCIQMUNRUCFBEZ-XEKGUZQTSA-N 1 2 372.513 2.572 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sc(C(C)C)nc1C)C2 ZINC001110100408 1003331332 /nfs/dbraw/zinc/33/13/32/1003331332.db2.gz LELRNCCCBISACL-PMPSAXMXSA-N 1 2 361.511 2.560 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sc(C(C)C)nc1C)C2 ZINC001110100408 1003331337 /nfs/dbraw/zinc/33/13/37/1003331337.db2.gz LELRNCCCBISACL-PMPSAXMXSA-N 1 2 361.511 2.560 20 30 FFEDLO Cc1cc(CO[NH+]=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)ncn1 ZINC000793842129 1003502694 /nfs/dbraw/zinc/50/26/94/1003502694.db2.gz CMBMXNIMFMYROJ-UHFFFAOYSA-N 1 2 371.441 2.647 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnn1CC(F)(F)F)C2 ZINC001095579014 1016792053 /nfs/dbraw/zinc/79/20/53/1016792053.db2.gz JQMKSEISGPXUNJ-WOPDTQHZSA-N 1 2 362.783 2.533 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnn1CC(F)(F)F)C2 ZINC001095579014 1016792067 /nfs/dbraw/zinc/79/20/67/1016792067.db2.gz JQMKSEISGPXUNJ-WOPDTQHZSA-N 1 2 362.783 2.533 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001092812708 1003602235 /nfs/dbraw/zinc/60/22/35/1003602235.db2.gz CWXRCQJIGRGDJC-SQNIBIBYSA-N 1 2 358.486 2.556 20 30 FFEDLO N#Cc1c(Br)cccc1OCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001129479908 1003664379 /nfs/dbraw/zinc/66/43/79/1003664379.db2.gz CRVWZRXEABGKRD-UHFFFAOYSA-N 1 2 371.194 2.986 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001196480396 1003784018 /nfs/dbraw/zinc/78/40/18/1003784018.db2.gz IYXQNKARPVOYFD-QZTJIDSGSA-N 1 2 363.546 2.628 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001196480396 1003784023 /nfs/dbraw/zinc/78/40/23/1003784023.db2.gz IYXQNKARPVOYFD-QZTJIDSGSA-N 1 2 363.546 2.628 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)n1cccc1 ZINC001096958378 1016826388 /nfs/dbraw/zinc/82/63/88/1016826388.db2.gz AQIDGFVTLZADKD-OTNPHJDUSA-N 1 2 365.452 2.961 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)n1cccc1 ZINC001096958378 1016826406 /nfs/dbraw/zinc/82/64/06/1016826406.db2.gz AQIDGFVTLZADKD-OTNPHJDUSA-N 1 2 365.452 2.961 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC001191368081 1003800803 /nfs/dbraw/zinc/80/08/03/1003800803.db2.gz XLNDRJPKPFMKFW-SFTDATJTSA-N 1 2 357.498 2.845 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2CNC(=O)OC(C)(C)C)CC1 ZINC001196654588 1003904646 /nfs/dbraw/zinc/90/46/46/1003904646.db2.gz IEBHMEUKJPKPSS-UHFFFAOYSA-N 1 2 359.470 2.655 20 30 FFEDLO C=CC[C@H](C(=O)OC)[N@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001196935059 1004002147 /nfs/dbraw/zinc/00/21/47/1004002147.db2.gz FPUALWJECPDRFG-DZGCQCFKSA-N 1 2 362.253 2.783 20 30 FFEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001196935059 1004002160 /nfs/dbraw/zinc/00/21/60/1004002160.db2.gz FPUALWJECPDRFG-DZGCQCFKSA-N 1 2 362.253 2.783 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CCc2cccc(Cl)c2Cl)C[C@H]1O ZINC001192503645 1004181383 /nfs/dbraw/zinc/18/13/83/1004181383.db2.gz HHWLWRYWEKHISX-HZPDHXFCSA-N 1 2 369.292 2.501 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CCc2cccc(Cl)c2Cl)C[C@H]1O ZINC001192503645 1004181394 /nfs/dbraw/zinc/18/13/94/1004181394.db2.gz HHWLWRYWEKHISX-HZPDHXFCSA-N 1 2 369.292 2.501 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)Nc1cccc(F)c1 ZINC001110497024 1004417318 /nfs/dbraw/zinc/41/73/18/1004417318.db2.gz MCZKMCSICFLREO-AXUOBQJMSA-N 1 2 371.456 2.678 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)Nc1cccc(F)c1 ZINC001110497024 1004417323 /nfs/dbraw/zinc/41/73/23/1004417323.db2.gz MCZKMCSICFLREO-AXUOBQJMSA-N 1 2 371.456 2.678 20 30 FFEDLO CCC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001193248140 1004419140 /nfs/dbraw/zinc/41/91/40/1004419140.db2.gz YDARCPRDLAQSCW-QZTJIDSGSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001193248140 1004419141 /nfs/dbraw/zinc/41/91/41/1004419141.db2.gz YDARCPRDLAQSCW-QZTJIDSGSA-N 1 2 362.901 2.679 20 30 FFEDLO CC[C@@H](C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110456548 1004420641 /nfs/dbraw/zinc/42/06/41/1004420641.db2.gz XKYBWAIVHQRGHK-AZFSHXRASA-N 1 2 359.445 2.734 20 30 FFEDLO CC[C@@H](C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110456548 1004420645 /nfs/dbraw/zinc/42/06/45/1004420645.db2.gz XKYBWAIVHQRGHK-AZFSHXRASA-N 1 2 359.445 2.734 20 30 FFEDLO CCC[C@H](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001193287186 1004439359 /nfs/dbraw/zinc/43/93/59/1004439359.db2.gz WUJXDKDULXSBMS-BMGDILEWSA-N 1 2 363.527 2.888 20 30 FFEDLO CCC[C@H](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001193287186 1004439362 /nfs/dbraw/zinc/43/93/62/1004439362.db2.gz WUJXDKDULXSBMS-BMGDILEWSA-N 1 2 363.527 2.888 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccc2Cl)C[C@H]1O ZINC001193337535 1004455447 /nfs/dbraw/zinc/45/54/47/1004455447.db2.gz UKVBKEIOUBDYEP-IAGOWNOFSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccc2Cl)C[C@H]1O ZINC001193337535 1004455453 /nfs/dbraw/zinc/45/54/53/1004455453.db2.gz UKVBKEIOUBDYEP-IAGOWNOFSA-N 1 2 366.889 2.612 20 30 FFEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001198185028 1004534559 /nfs/dbraw/zinc/53/45/59/1004534559.db2.gz PAKIWQWSYOGCIY-LPMFXHHGSA-N 1 2 363.421 2.657 20 30 FFEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001198185028 1004534565 /nfs/dbraw/zinc/53/45/65/1004534565.db2.gz PAKIWQWSYOGCIY-LPMFXHHGSA-N 1 2 363.421 2.657 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2cc(C(F)(F)F)nn2-c2ccccc2)CC1 ZINC001193731360 1004556390 /nfs/dbraw/zinc/55/63/90/1004556390.db2.gz CAGVGYPXJHRCIR-UHFFFAOYSA-N 1 2 364.371 2.835 20 30 FFEDLO CC(C)(C)CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001198904229 1004788044 /nfs/dbraw/zinc/78/80/44/1004788044.db2.gz DNBOWIAOXIZKNX-RTBURBONSA-N 1 2 356.510 2.662 20 30 FFEDLO CC(C)(C)CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001198904229 1004788049 /nfs/dbraw/zinc/78/80/49/1004788049.db2.gz DNBOWIAOXIZKNX-RTBURBONSA-N 1 2 356.510 2.662 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]([NH2+]CC(=C)Cl)c1ccccc1OC ZINC001198909014 1004790839 /nfs/dbraw/zinc/79/08/39/1004790839.db2.gz UCKWUYHFQGBMAS-IKGGRYGDSA-N 1 2 364.873 2.786 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC2CCCCCC2)C1 ZINC001194809311 1004819898 /nfs/dbraw/zinc/81/98/98/1004819898.db2.gz UGNUIJNUPNDEPY-NHCUHLMSSA-N 1 2 369.509 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC2CCCCCC2)C1 ZINC001194809311 1004819900 /nfs/dbraw/zinc/81/99/00/1004819900.db2.gz UGNUIJNUPNDEPY-NHCUHLMSSA-N 1 2 369.509 2.970 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cc(C)[nH+]c(C3CC3)n2)nc1 ZINC001055065610 1016928695 /nfs/dbraw/zinc/92/86/95/1016928695.db2.gz DULLWHMDMMKWHY-NEWSRXKRSA-N 1 2 373.460 2.578 20 30 FFEDLO CCCC(CCC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001195653695 1005017846 /nfs/dbraw/zinc/01/78/46/1005017846.db2.gz CQXLQDKOHSEMNI-RTBURBONSA-N 1 2 361.461 2.575 20 30 FFEDLO CCCC(CCC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001195653695 1005017851 /nfs/dbraw/zinc/01/78/51/1005017851.db2.gz CQXLQDKOHSEMNI-RTBURBONSA-N 1 2 361.461 2.575 20 30 FFEDLO C=CCSc1ncccc1C(=O)N[C@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001199745505 1005019232 /nfs/dbraw/zinc/01/92/32/1005019232.db2.gz BZTHRZAJBVQEAQ-MRXNPFEDSA-N 1 2 363.527 2.836 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(Cl)c1 ZINC001110546111 1005071906 /nfs/dbraw/zinc/07/19/06/1005071906.db2.gz MWTAFHHMCWFAFU-FOZNTRSISA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(Cl)c1 ZINC001110546111 1005071911 /nfs/dbraw/zinc/07/19/11/1005071911.db2.gz MWTAFHHMCWFAFU-FOZNTRSISA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1Cl ZINC001110553599 1005112174 /nfs/dbraw/zinc/11/21/74/1005112174.db2.gz YSPINGHBLOIGNK-NXHRZFHOSA-N 1 2 364.848 2.741 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1Cl ZINC001110553599 1005112176 /nfs/dbraw/zinc/11/21/76/1005112176.db2.gz YSPINGHBLOIGNK-NXHRZFHOSA-N 1 2 364.848 2.741 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1Cl ZINC001110553226 1005113392 /nfs/dbraw/zinc/11/33/92/1005113392.db2.gz CQMIFVSYUZHMIO-NXHRZFHOSA-N 1 2 364.848 2.741 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1Cl ZINC001110553226 1005113394 /nfs/dbraw/zinc/11/33/94/1005113394.db2.gz CQMIFVSYUZHMIO-NXHRZFHOSA-N 1 2 364.848 2.741 20 30 FFEDLO C=CCCCC(=O)N1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@H]12 ZINC001488239726 1005130134 /nfs/dbraw/zinc/13/01/34/1005130134.db2.gz PZSZRGUDXKSZNJ-KALAIVBUSA-N 1 2 370.497 2.520 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCC1 ZINC001110592269 1005369996 /nfs/dbraw/zinc/36/99/96/1005369996.db2.gz VXMOSSWHYLZTQM-AQNXPRMDSA-N 1 2 373.541 2.925 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCC1 ZINC001110592269 1005369998 /nfs/dbraw/zinc/36/99/98/1005369998.db2.gz VXMOSSWHYLZTQM-AQNXPRMDSA-N 1 2 373.541 2.925 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nnc(C)o2)C[C@H]1c1ccccc1 ZINC001488889975 1005372409 /nfs/dbraw/zinc/37/24/09/1005372409.db2.gz OWZGNZHRKIHRGN-RBUKOAKNSA-N 1 2 366.465 2.656 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(C)o2)C[C@H]1c1ccccc1 ZINC001488889975 1005372411 /nfs/dbraw/zinc/37/24/11/1005372411.db2.gz OWZGNZHRKIHRGN-RBUKOAKNSA-N 1 2 366.465 2.656 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)c(OC)co1 ZINC001110593366 1005384184 /nfs/dbraw/zinc/38/41/84/1005384184.db2.gz VCTYQJLWBGCUIT-NXHRZFHOSA-N 1 2 372.465 2.638 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(=O)c(OC)co1 ZINC001110593366 1005384186 /nfs/dbraw/zinc/38/41/86/1005384186.db2.gz VCTYQJLWBGCUIT-NXHRZFHOSA-N 1 2 372.465 2.638 20 30 FFEDLO C=C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(C)n(C)n2)[C@@H]1C)c1ccccc1 ZINC001489311702 1005464873 /nfs/dbraw/zinc/46/48/73/1005464873.db2.gz JCUXIOMNCBZMEX-AHRSYUTCSA-N 1 2 352.482 2.777 20 30 FFEDLO C=C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)n(C)n2)[C@@H]1C)c1ccccc1 ZINC001489311702 1005464874 /nfs/dbraw/zinc/46/48/74/1005464874.db2.gz JCUXIOMNCBZMEX-AHRSYUTCSA-N 1 2 352.482 2.777 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(OC)no1 ZINC001110601203 1005475216 /nfs/dbraw/zinc/47/52/16/1005475216.db2.gz NQMIWEOKJHMGNI-BNOWGMLFSA-N 1 2 353.850 2.683 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(OC)no1 ZINC001110601203 1005475218 /nfs/dbraw/zinc/47/52/18/1005475218.db2.gz NQMIWEOKJHMGNI-BNOWGMLFSA-N 1 2 353.850 2.683 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001187296079 1006022368 /nfs/dbraw/zinc/02/23/68/1006022368.db2.gz JYBRWZOLQWKEGG-SUMWQHHRSA-N 1 2 352.837 2.714 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2C[N@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001187296079 1006022375 /nfs/dbraw/zinc/02/23/75/1006022375.db2.gz JYBRWZOLQWKEGG-SUMWQHHRSA-N 1 2 352.837 2.714 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097089930 1017020472 /nfs/dbraw/zinc/02/04/72/1017020472.db2.gz OCLUDDGADYBJSJ-TXVWBRJLSA-N 1 2 367.493 2.841 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097089930 1017020485 /nfs/dbraw/zinc/02/04/85/1017020485.db2.gz OCLUDDGADYBJSJ-TXVWBRJLSA-N 1 2 367.493 2.841 20 30 FFEDLO C#C[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CCOCC1 ZINC000852639276 1006118951 /nfs/dbraw/zinc/11/89/51/1006118951.db2.gz LBUNXBZGZJMMBP-LJQANCHMSA-N 1 2 370.497 2.537 20 30 FFEDLO C[C@@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C[C@@H]1NC(=O)C(F)(F)F ZINC000852757298 1006171618 /nfs/dbraw/zinc/17/16/18/1006171618.db2.gz BQNNDGZWTPQRLP-CJNGLKHVSA-N 1 2 369.387 2.716 20 30 FFEDLO C[C@@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C[C@@H]1NC(=O)C(F)(F)F ZINC000852757298 1006171622 /nfs/dbraw/zinc/17/16/22/1006171622.db2.gz BQNNDGZWTPQRLP-CJNGLKHVSA-N 1 2 369.387 2.716 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)CCOCC3CC3)[C@@H]2C1 ZINC001187925438 1006321539 /nfs/dbraw/zinc/32/15/39/1006321539.db2.gz NGWYAWZJMHOECN-FXAWDEMLSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)CCOCC3CC3)[C@@H]2C1 ZINC001187925438 1006321549 /nfs/dbraw/zinc/32/15/49/1006321549.db2.gz NGWYAWZJMHOECN-FXAWDEMLSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1c(F)cccc1NC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001057448993 1017050266 /nfs/dbraw/zinc/05/02/66/1017050266.db2.gz PNMPVVKRYTYNBK-ZIAGYGMSSA-N 1 2 353.401 2.627 20 30 FFEDLO N#Cc1c(F)cccc1NC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001057448993 1017050277 /nfs/dbraw/zinc/05/02/77/1017050277.db2.gz PNMPVVKRYTYNBK-ZIAGYGMSSA-N 1 2 353.401 2.627 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc4n(n3)CCC4)C[C@H]21 ZINC001188033413 1006389373 /nfs/dbraw/zinc/38/93/73/1006389373.db2.gz HBOLELSSLHDWQF-FXAWDEMLSA-N 1 2 354.498 2.630 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc4n(n3)CCC4)C[C@H]21 ZINC001188033413 1006389381 /nfs/dbraw/zinc/38/93/81/1006389381.db2.gz HBOLELSSLHDWQF-FXAWDEMLSA-N 1 2 354.498 2.630 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(-c2cccc(F)c2)o1 ZINC001110401767 1006691588 /nfs/dbraw/zinc/69/15/88/1006691588.db2.gz NMTVCAKPVPXJJR-YYQUZTFQSA-N 1 2 368.412 2.862 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(-c2cccc(F)c2)o1 ZINC001110401767 1006691593 /nfs/dbraw/zinc/69/15/93/1006691593.db2.gz NMTVCAKPVPXJJR-YYQUZTFQSA-N 1 2 368.412 2.862 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000884106123 1007240566 /nfs/dbraw/zinc/24/05/66/1007240566.db2.gz HCEPXUICCZWDAS-SFHVURJKSA-N 1 2 360.454 2.921 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000776800947 1007256986 /nfs/dbraw/zinc/25/69/86/1007256986.db2.gz CUWDUNJBRLRUJD-CRAIPNDOSA-N 1 2 359.470 2.981 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000776800947 1007256994 /nfs/dbraw/zinc/25/69/94/1007256994.db2.gz CUWDUNJBRLRUJD-CRAIPNDOSA-N 1 2 359.470 2.981 20 30 FFEDLO N#Cc1ccc(OCC(=O)OCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000817179183 1007458515 /nfs/dbraw/zinc/45/85/15/1007458515.db2.gz ZNUQBFCRBKOIGA-UHFFFAOYSA-N 1 2 366.417 2.513 20 30 FFEDLO O=C(C=NOCc1cccc(C[NH+]2CCOCC2)c1)Nc1ccc(F)cc1 ZINC000817376281 1007568009 /nfs/dbraw/zinc/56/80/09/1007568009.db2.gz BMKSBENJKPVPIN-UHFFFAOYSA-N 1 2 371.412 2.799 20 30 FFEDLO N#CCCc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000884905311 1007597389 /nfs/dbraw/zinc/59/73/89/1007597389.db2.gz NNZMXICHGYFIAF-UHFFFAOYSA-N 1 2 370.478 2.616 20 30 FFEDLO CCN1CC[NH+](Cc2ccc(C(=O)N[C@H](C#N)c3ccccc3)cc2)CC1 ZINC001190832236 1007799607 /nfs/dbraw/zinc/79/96/07/1007799607.db2.gz OUCVNIHRNNOOFR-OAQYLSRUSA-N 1 2 362.477 2.819 20 30 FFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccnn2-c2cc[nH+]cc2)c1 ZINC001190942209 1007840352 /nfs/dbraw/zinc/84/03/52/1007840352.db2.gz AAWHWYYEWYFZKW-UHFFFAOYSA-N 1 2 359.798 2.593 20 30 FFEDLO C#CCNc1nc(NCC[C@@H]2CC2(F)F)[nH+]c(NCC[C@H]2CC2(F)F)n1 ZINC000856777894 1007973551 /nfs/dbraw/zinc/97/35/51/1007973551.db2.gz DWPKNMDYJRVUPO-PHIMTYICSA-N 1 2 372.370 2.831 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3sccc3s1)C2 ZINC001110719591 1008091140 /nfs/dbraw/zinc/09/11/40/1008091140.db2.gz WXZLIFHNPBIUNI-MCIONIFRSA-N 1 2 360.504 2.948 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3sccc3s1)C2 ZINC001110719591 1008091147 /nfs/dbraw/zinc/09/11/47/1008091147.db2.gz WXZLIFHNPBIUNI-MCIONIFRSA-N 1 2 360.504 2.948 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCc1ccccc1S(=O)(=O)N(C)C ZINC000820614986 1008351917 /nfs/dbraw/zinc/35/19/17/1008351917.db2.gz BJVFPTYDRSCBSY-UHFFFAOYSA-N 1 2 373.478 2.736 20 30 FFEDLO CCOC(=O)c1cc2c(NC(=[NH2+])c3ccc(C(=O)OC)cc3)cc[nH]c-2n1 ZINC001170984600 1008577053 /nfs/dbraw/zinc/57/70/53/1008577053.db2.gz USDMLQPYRSLYDD-UHFFFAOYSA-N 1 2 366.377 2.563 20 30 FFEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170987161 1008632746 /nfs/dbraw/zinc/63/27/46/1008632746.db2.gz ZZFIIAVJDORZND-YLJYHZDGSA-N 1 2 352.409 2.929 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000859885711 1008709620 /nfs/dbraw/zinc/70/96/20/1008709620.db2.gz LWNAZSQENPBANC-YUJXZSDVSA-N 1 2 372.534 2.852 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000859885711 1008709631 /nfs/dbraw/zinc/70/96/31/1008709631.db2.gz LWNAZSQENPBANC-YUJXZSDVSA-N 1 2 372.534 2.852 20 30 FFEDLO C=CCC1(O)CC[NH+](Cc2csc(CNC(=O)c3ccccc3)n2)CC1 ZINC000886774124 1008875259 /nfs/dbraw/zinc/87/52/59/1008875259.db2.gz IAMXAQLOMKZNKY-UHFFFAOYSA-N 1 2 371.506 2.976 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ncc(-c3ccc(C)cc3)o2)C[C@H]1C ZINC001206620625 1032369003 /nfs/dbraw/zinc/36/90/03/1032369003.db2.gz VMQWYGMWKSCYNP-SJLPKXTDSA-N 1 2 369.465 2.789 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2ncc(-c3ccc(C)cc3)o2)C[C@H]1C ZINC001206620625 1032369011 /nfs/dbraw/zinc/36/90/11/1032369011.db2.gz VMQWYGMWKSCYNP-SJLPKXTDSA-N 1 2 369.465 2.789 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)cc(Br)c2)C[C@H]1C ZINC001206662338 1032377513 /nfs/dbraw/zinc/37/75/13/1032377513.db2.gz HHPLZBHIYUIRTA-UEKVPHQBSA-N 1 2 368.250 2.684 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)cc(Br)c2)C[C@H]1C ZINC001206662338 1032377522 /nfs/dbraw/zinc/37/75/22/1032377522.db2.gz HHPLZBHIYUIRTA-UEKVPHQBSA-N 1 2 368.250 2.684 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)cc(Br)c2)C[C@H]1C ZINC001206662337 1032377806 /nfs/dbraw/zinc/37/78/06/1032377806.db2.gz HHPLZBHIYUIRTA-FIXISWKDSA-N 1 2 368.250 2.684 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)cc(Br)c2)C[C@H]1C ZINC001206662337 1032377810 /nfs/dbraw/zinc/37/78/10/1032377810.db2.gz HHPLZBHIYUIRTA-FIXISWKDSA-N 1 2 368.250 2.684 20 30 FFEDLO N#CCOc1ccc(C[N@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)cc1 ZINC000823487200 1009088426 /nfs/dbraw/zinc/08/84/26/1009088426.db2.gz PSBRCZYFNKQJNT-CALCHBBNSA-N 1 2 358.344 2.891 20 30 FFEDLO N#CCOc1ccc(C[N@@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)cc1 ZINC000823487200 1009088440 /nfs/dbraw/zinc/08/84/40/1009088440.db2.gz PSBRCZYFNKQJNT-CALCHBBNSA-N 1 2 358.344 2.891 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001092954641 1009429140 /nfs/dbraw/zinc/42/91/40/1009429140.db2.gz CWXRCQJIGRGDJC-KURKYZTESA-N 1 2 358.486 2.556 20 30 FFEDLO N#Cc1c(F)cccc1N1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001093106780 1009851974 /nfs/dbraw/zinc/85/19/74/1009851974.db2.gz YYEXZBCXIPEMOX-XOBRGWDASA-N 1 2 367.428 2.528 20 30 FFEDLO N#Cc1c(F)cccc1N1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001093106780 1009851992 /nfs/dbraw/zinc/85/19/92/1009851992.db2.gz YYEXZBCXIPEMOX-XOBRGWDASA-N 1 2 367.428 2.528 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)CCC3CCC3)C2)c1 ZINC001206832514 1032447880 /nfs/dbraw/zinc/44/78/80/1032447880.db2.gz BYMOOVXUXLAHJQ-OXQOHEQNSA-N 1 2 367.493 2.623 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CCC3CCC3)C2)c1 ZINC001206832514 1032447887 /nfs/dbraw/zinc/44/78/87/1032447887.db2.gz BYMOOVXUXLAHJQ-OXQOHEQNSA-N 1 2 367.493 2.623 20 30 FFEDLO C#CCC1(NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CCOCC1 ZINC000889540343 1010008202 /nfs/dbraw/zinc/00/82/02/1010008202.db2.gz VGIAFNSUQBISHH-QAQDUYKDSA-N 1 2 356.470 2.676 20 30 FFEDLO Cc1[nH+]c[nH]c1CSCCNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC001181206303 1010017387 /nfs/dbraw/zinc/01/73/87/1010017387.db2.gz QEPVYKCCNQJWRV-UHFFFAOYSA-N 1 2 358.467 2.797 20 30 FFEDLO COc1ccc([C@H]2CC[N@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)cc1F ZINC000863334543 1010180129 /nfs/dbraw/zinc/18/01/29/1010180129.db2.gz FDOPHUMNNHYFDR-HNNXBMFYSA-N 1 2 367.424 2.803 20 30 FFEDLO COc1ccc([C@H]2CC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)cc1F ZINC000863334543 1010180138 /nfs/dbraw/zinc/18/01/38/1010180138.db2.gz FDOPHUMNNHYFDR-HNNXBMFYSA-N 1 2 367.424 2.803 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccsc1)C2 ZINC001110268668 1010471998 /nfs/dbraw/zinc/47/19/98/1010471998.db2.gz LWYHTBZPLIBPRQ-ZACQAIPSSA-N 1 2 361.511 2.508 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccsc1)C2 ZINC001110268668 1010472006 /nfs/dbraw/zinc/47/20/06/1010472006.db2.gz LWYHTBZPLIBPRQ-ZACQAIPSSA-N 1 2 361.511 2.508 20 30 FFEDLO N#Cc1ccc(Oc2ccc(NC(=O)/C=C/C[NH+]3CCOCC3)cn2)cc1 ZINC000864889895 1010618558 /nfs/dbraw/zinc/61/85/58/1010618558.db2.gz AVMSMIGBGMLJGF-OWOJBTEDSA-N 1 2 364.405 2.572 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001094830681 1011396623 /nfs/dbraw/zinc/39/66/23/1011396623.db2.gz UCJHWSNDBJXVAE-WMZOPIPTSA-N 1 2 358.486 2.563 20 30 FFEDLO COC(=O)[C@H]1C[C@H]([N@@H+]2CC[C@](C)(C#N)C2)C[C@H]1C(=O)OCc1ccccc1 ZINC001172277680 1011712953 /nfs/dbraw/zinc/71/29/53/1011712953.db2.gz WDBZNHNKHQDUPE-LXGFNABISA-N 1 2 370.449 2.533 20 30 FFEDLO COC(=O)[C@H]1C[C@H]([N@H+]2CC[C@](C)(C#N)C2)C[C@H]1C(=O)OCc1ccccc1 ZINC001172277680 1011712965 /nfs/dbraw/zinc/71/29/65/1011712965.db2.gz WDBZNHNKHQDUPE-LXGFNABISA-N 1 2 370.449 2.533 20 30 FFEDLO C[NH+]1CCN(c2ccccc2-c2noc(-c3ccc(C#N)cc3O)n2)CC1 ZINC001217039111 1032594578 /nfs/dbraw/zinc/59/45/78/1032594578.db2.gz NRVCTIRJYPHCLA-UHFFFAOYSA-N 1 2 361.405 2.733 20 30 FFEDLO CCCCCCCC[N@@H+]1C[C@]2(F)CN(Cc3nc(C)no3)C(=O)[C@]2(F)C1 ZINC001275113555 1011954626 /nfs/dbraw/zinc/95/46/26/1011954626.db2.gz FJUNVAWQAYYPIG-ZWKOTPCHSA-N 1 2 370.444 2.813 20 30 FFEDLO CCCCCCCC[N@H+]1C[C@]2(F)CN(Cc3nc(C)no3)C(=O)[C@]2(F)C1 ZINC001275113555 1011954636 /nfs/dbraw/zinc/95/46/36/1011954636.db2.gz FJUNVAWQAYYPIG-ZWKOTPCHSA-N 1 2 370.444 2.813 20 30 FFEDLO CCCCCCCC[NH+]1CC2(C1)CN(COC(=O)C(C)(C)C)C(=O)CO2 ZINC001275115732 1011956785 /nfs/dbraw/zinc/95/67/85/1011956785.db2.gz YWUYFXOQPDZZKL-UHFFFAOYSA-N 1 2 368.518 2.807 20 30 FFEDLO CCCCCCCC[N@@H+]1C[C@]2(F)CN([C@@H](C)C(=O)OCC)C(=O)[C@]2(F)C1 ZINC001275115761 1011958091 /nfs/dbraw/zinc/95/80/91/1011958091.db2.gz ZNRNESCIFNSIKF-ZYSHUDEJSA-N 1 2 374.472 2.873 20 30 FFEDLO CCCCCCCC[N@H+]1C[C@]2(F)CN([C@@H](C)C(=O)OCC)C(=O)[C@]2(F)C1 ZINC001275115761 1011958104 /nfs/dbraw/zinc/95/81/04/1011958104.db2.gz ZNRNESCIFNSIKF-ZYSHUDEJSA-N 1 2 374.472 2.873 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cc(C#N)ccc2Br)C1=O ZINC001275190083 1012047836 /nfs/dbraw/zinc/04/78/36/1012047836.db2.gz BRWQWRRSOSXEIV-GOSISDBHSA-N 1 2 372.266 2.521 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(C#N)ccc2Br)C1=O ZINC001275190083 1012047855 /nfs/dbraw/zinc/04/78/55/1012047855.db2.gz BRWQWRRSOSXEIV-GOSISDBHSA-N 1 2 372.266 2.521 20 30 FFEDLO CC(C)(C)C(=O)CN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(C#N)c2)C1=O ZINC001275263781 1012172764 /nfs/dbraw/zinc/17/27/64/1012172764.db2.gz SSCZKPODBAQRCO-NRFANRHFSA-N 1 2 353.466 2.740 20 30 FFEDLO CC(C)(C)C(=O)CN1CC[C@@]2(CCC[N@H+]2Cc2cccc(C#N)c2)C1=O ZINC001275263781 1012172775 /nfs/dbraw/zinc/17/27/75/1012172775.db2.gz SSCZKPODBAQRCO-NRFANRHFSA-N 1 2 353.466 2.740 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C2 ZINC001275281567 1012201517 /nfs/dbraw/zinc/20/15/17/1012201517.db2.gz FHIORPILMNVGBH-SFHVURJKSA-N 1 2 367.276 2.678 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)c(Cl)c1)C2 ZINC001275281567 1012201529 /nfs/dbraw/zinc/20/15/29/1012201529.db2.gz FHIORPILMNVGBH-SFHVURJKSA-N 1 2 367.276 2.678 20 30 FFEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173043056 1012205508 /nfs/dbraw/zinc/20/55/08/1012205508.db2.gz DQDUMYCGZBQWHW-IBGZPJMESA-N 1 2 356.466 2.971 20 30 FFEDLO COCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(C#N)c2Cl)C1=O ZINC001275308512 1012261296 /nfs/dbraw/zinc/26/12/96/1012261296.db2.gz OIUDUSLKXBUTHA-IBGZPJMESA-N 1 2 361.873 2.815 20 30 FFEDLO COCCCN1CC[C@@]2(CCC[N@H+]2Cc2cccc(C#N)c2Cl)C1=O ZINC001275308512 1012261310 /nfs/dbraw/zinc/26/13/10/1012261310.db2.gz OIUDUSLKXBUTHA-IBGZPJMESA-N 1 2 361.873 2.815 20 30 FFEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cnc(Cl)s1)CC2 ZINC001275349933 1012352969 /nfs/dbraw/zinc/35/29/69/1012352969.db2.gz ZCGRDWDMJAYUIZ-ZDUSSCGKSA-N 1 2 352.891 2.819 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCO[C@@H]2C)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000647403451 1012467790 /nfs/dbraw/zinc/46/77/90/1012467790.db2.gz KOUBEBYYIVEHDG-AEFFLSMTSA-N 1 2 371.485 2.662 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)no1 ZINC001095147339 1012551735 /nfs/dbraw/zinc/55/17/35/1012551735.db2.gz FKZGLZBPKQBJKW-HFTRVMKXSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)no1 ZINC001095147339 1012551753 /nfs/dbraw/zinc/55/17/53/1012551753.db2.gz FKZGLZBPKQBJKW-HFTRVMKXSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1csc(C[NH+]2CC3(C2)COCC(=O)N3Cc2cccc(C#N)c2)c1 ZINC001275526489 1012577081 /nfs/dbraw/zinc/57/70/81/1012577081.db2.gz HJWNONMYGJXJJE-UHFFFAOYSA-N 1 2 367.474 2.542 20 30 FFEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)cnc1Cl)CC2 ZINC001275569007 1012627458 /nfs/dbraw/zinc/62/74/58/1012627458.db2.gz NMPSNAYTKXRYLZ-OAHLLOKOSA-N 1 2 364.852 2.896 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2CCOCC2)C3)c(F)c1 ZINC001095253535 1012914267 /nfs/dbraw/zinc/91/42/67/1012914267.db2.gz JSTYWZXKQCPABS-HOJAQTOUSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2CCOCC2)C3)c(F)c1 ZINC001095253535 1012914277 /nfs/dbraw/zinc/91/42/77/1012914277.db2.gz JSTYWZXKQCPABS-HOJAQTOUSA-N 1 2 371.456 2.736 20 30 FFEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3cc(Cl)ccc3Cl)C2)OCC1=O ZINC001275724923 1012928079 /nfs/dbraw/zinc/92/80/79/1012928079.db2.gz VBXCKETYSMOPBY-QGZVFWFLSA-N 1 2 355.265 2.983 20 30 FFEDLO C=CCN1C[C@]2(CC[N@H+](Cc3cc(Cl)ccc3Cl)C2)OCC1=O ZINC001275724923 1012928088 /nfs/dbraw/zinc/92/80/88/1012928088.db2.gz VBXCKETYSMOPBY-QGZVFWFLSA-N 1 2 355.265 2.983 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](CCCc3cccc(F)c3)C[C@@]2(F)C1=O ZINC001275763506 1012976516 /nfs/dbraw/zinc/97/65/16/1012976516.db2.gz IIVRUIWAYUBHGG-RBUKOAKNSA-N 1 2 352.400 2.909 20 30 FFEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](CCCc3cccc(F)c3)C[C@@]2(F)C1=O ZINC001275763506 1012976526 /nfs/dbraw/zinc/97/65/26/1012976526.db2.gz IIVRUIWAYUBHGG-RBUKOAKNSA-N 1 2 352.400 2.909 20 30 FFEDLO C=C[C@H](CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccn(C)n3)C[C@H]21)c1ccccc1 ZINC001222037798 1032683574 /nfs/dbraw/zinc/68/35/74/1032683574.db2.gz CDVVBPRPPQUFPB-YFVAEKQCSA-N 1 2 364.493 2.813 20 30 FFEDLO C=C[C@H](CC(=O)N1C[C@H]2CC[N@H+](Cc3ccn(C)n3)C[C@H]21)c1ccccc1 ZINC001222037798 1032683583 /nfs/dbraw/zinc/68/35/83/1032683583.db2.gz CDVVBPRPPQUFPB-YFVAEKQCSA-N 1 2 364.493 2.813 20 30 FFEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3F)C2)CC1 ZINC001052093192 1017318811 /nfs/dbraw/zinc/31/88/11/1017318811.db2.gz LDCACZZJSVDCJZ-YSIASYRMSA-N 1 2 371.500 2.724 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccnn2C)cc1 ZINC001097357086 1017388570 /nfs/dbraw/zinc/38/85/70/1017388570.db2.gz IXHXFNXCPKMZQW-AHRSYUTCSA-N 1 2 366.465 2.520 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccnn2C)cc1 ZINC001097357086 1017388582 /nfs/dbraw/zinc/38/85/82/1017388582.db2.gz IXHXFNXCPKMZQW-AHRSYUTCSA-N 1 2 366.465 2.520 20 30 FFEDLO CC[C@@H]([NH2+]Cc1cccc(OCC(=O)NC)c1)c1cccc(C#N)c1O ZINC000924717519 1017443292 /nfs/dbraw/zinc/44/32/92/1017443292.db2.gz OQYWTRQAKCAEQM-GOSISDBHSA-N 1 2 353.422 2.630 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cc(C2CC2)on1 ZINC001097596834 1017687507 /nfs/dbraw/zinc/68/75/07/1017687507.db2.gz OIULJDWYWRQVFD-GGPKGHCWSA-N 1 2 361.445 2.939 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cc(C2CC2)on1 ZINC001097596834 1017687512 /nfs/dbraw/zinc/68/75/12/1017687512.db2.gz OIULJDWYWRQVFD-GGPKGHCWSA-N 1 2 361.445 2.939 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[C@H]4C[C@H]4C2)C3)c(F)c1 ZINC001097683630 1017789080 /nfs/dbraw/zinc/78/90/80/1017789080.db2.gz CZCVZUWBHDZMGQ-KWVJBRQOSA-N 1 2 353.441 2.965 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[C@H]4C[C@H]4C2)C3)c(F)c1 ZINC001097683630 1017789096 /nfs/dbraw/zinc/78/90/96/1017789096.db2.gz CZCVZUWBHDZMGQ-KWVJBRQOSA-N 1 2 353.441 2.965 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cnc(C)nc4)C[C@H]32)CCCCC1 ZINC001222063126 1032725178 /nfs/dbraw/zinc/72/51/78/1032725178.db2.gz WCVQMNKKGIVWAS-WOJBJXKFSA-N 1 2 366.509 2.792 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cnc(C)nc4)C[C@H]32)CCCCC1 ZINC001222063126 1032725197 /nfs/dbraw/zinc/72/51/97/1032725197.db2.gz WCVQMNKKGIVWAS-WOJBJXKFSA-N 1 2 366.509 2.792 20 30 FFEDLO Cc1cc(N2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC001052860963 1018113866 /nfs/dbraw/zinc/11/38/66/1018113866.db2.gz ADBVAVPLLSZUQX-UKRRQHHQSA-N 1 2 366.469 2.611 20 30 FFEDLO CC[C@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cccc(C#N)c1O ZINC000926715305 1018225286 /nfs/dbraw/zinc/22/52/86/1018225286.db2.gz LPXFMIYJOXXJFS-IPMKNSEASA-N 1 2 355.482 2.948 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(C[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC001053259685 1018227867 /nfs/dbraw/zinc/22/78/67/1018227867.db2.gz ILZQMYHEIZPLCT-SXLOBPIMSA-N 1 2 370.493 2.642 20 30 FFEDLO Cc1cc(NCC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC001053372397 1018270374 /nfs/dbraw/zinc/27/03/74/1018270374.db2.gz YCSRXNNUOWFPDD-RDTXWAMCSA-N 1 2 352.482 2.972 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1)O2 ZINC001053675353 1018411088 /nfs/dbraw/zinc/41/10/88/1018411088.db2.gz MPLPEIFHZNMVJJ-HSALFYBXSA-N 1 2 370.493 2.724 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001058087256 1018466884 /nfs/dbraw/zinc/46/68/84/1018466884.db2.gz LMGIODJGVVWPDQ-MSOLQXFVSA-N 1 2 370.497 2.681 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001110925160 1018565474 /nfs/dbraw/zinc/56/54/74/1018565474.db2.gz MBINOBGGSLZGRB-AQNXPRMDSA-N 1 2 367.493 2.565 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001110925160 1018565484 /nfs/dbraw/zinc/56/54/84/1018565484.db2.gz MBINOBGGSLZGRB-AQNXPRMDSA-N 1 2 367.493 2.565 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)Nc1ccccc1 ZINC001110928793 1018646151 /nfs/dbraw/zinc/64/61/51/1018646151.db2.gz FNZXTEJPGGRGOY-NBYUQASBSA-N 1 2 367.493 2.929 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)Nc1ccccc1 ZINC001110928793 1018646155 /nfs/dbraw/zinc/64/61/55/1018646155.db2.gz FNZXTEJPGGRGOY-NBYUQASBSA-N 1 2 367.493 2.929 20 30 FFEDLO Cc1cc(N[C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)nc(C2CC2)[nH+]1 ZINC001047254273 1019062928 /nfs/dbraw/zinc/06/29/28/1019062928.db2.gz LEVOYRCEMHCUQR-XJKSGUPXSA-N 1 2 364.453 2.873 20 30 FFEDLO C[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001042642901 1019090527 /nfs/dbraw/zinc/09/05/27/1019090527.db2.gz LDBWIEYOVDBSCT-KZULUSFZSA-N 1 2 363.396 2.828 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001067615831 1019093583 /nfs/dbraw/zinc/09/35/83/1019093583.db2.gz OCXLRZRNIVTKQX-LNLFQRSKSA-N 1 2 358.486 2.584 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)c1ccncn1 ZINC001096199544 1019323683 /nfs/dbraw/zinc/32/36/83/1019323683.db2.gz MLFHSRTZPWCQQM-NEWSRXKRSA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)c1ccncn1 ZINC001096199544 1019323694 /nfs/dbraw/zinc/32/36/94/1019323694.db2.gz MLFHSRTZPWCQQM-NEWSRXKRSA-N 1 2 366.852 2.517 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2ccco2)C3)ccc1F ZINC001098078830 1019339150 /nfs/dbraw/zinc/33/91/50/1019339150.db2.gz QJBDFKSSFHKMRN-LZQZEXGQSA-N 1 2 353.397 2.755 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2ccco2)C3)ccc1F ZINC001098078830 1019339165 /nfs/dbraw/zinc/33/91/65/1019339165.db2.gz QJBDFKSSFHKMRN-LZQZEXGQSA-N 1 2 353.397 2.755 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1C[NH+](Cc2ccc3c(c2)COC3)C1 ZINC001044025670 1019625544 /nfs/dbraw/zinc/62/55/44/1019625544.db2.gz CCQNOJWBLXENJU-SFTDATJTSA-N 1 2 370.493 2.731 20 30 FFEDLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)CCCOC1 ZINC001096252569 1019626420 /nfs/dbraw/zinc/62/64/20/1019626420.db2.gz UJECLXGFEWTPSG-BOFXEDATSA-N 1 2 371.456 2.736 20 30 FFEDLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)CCCOC1 ZINC001096252569 1019626429 /nfs/dbraw/zinc/62/64/29/1019626429.db2.gz UJECLXGFEWTPSG-BOFXEDATSA-N 1 2 371.456 2.736 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](Cc2ccc3ncccc3c2)C1 ZINC001044038677 1019640355 /nfs/dbraw/zinc/64/03/55/1019640355.db2.gz FHTLRZADRHEIEV-FPOVZHCZSA-N 1 2 365.477 2.859 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)c1n[nH]cc1F ZINC001095977438 1019676422 /nfs/dbraw/zinc/67/64/22/1019676422.db2.gz CYQTWIBPXLUWJS-PVAVHDDUSA-N 1 2 372.831 2.589 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)c1n[nH]cc1F ZINC001095977438 1019676428 /nfs/dbraw/zinc/67/64/28/1019676428.db2.gz CYQTWIBPXLUWJS-PVAVHDDUSA-N 1 2 372.831 2.589 20 30 FFEDLO N#Cc1cccc(NC(=O)C2CC[NH+](CN3Cc4ccccc4C3=O)CC2)c1 ZINC000902141240 1019893839 /nfs/dbraw/zinc/89/38/39/1019893839.db2.gz VYOGNCGFNKJDMX-UHFFFAOYSA-N 1 2 374.444 2.822 20 30 FFEDLO C[C@H]1CN(Cc2cncc(C#N)c2)C(C)(C)C[N@@H+]1Cc1cncc(C#N)c1 ZINC000930587231 1020091814 /nfs/dbraw/zinc/09/18/14/1020091814.db2.gz IOLXZZCDCVAMMW-INIZCTEOSA-N 1 2 360.465 2.705 20 30 FFEDLO C[C@H]1CN(Cc2cncc(C#N)c2)C(C)(C)C[N@H+]1Cc1cncc(C#N)c1 ZINC000930587231 1020091824 /nfs/dbraw/zinc/09/18/24/1020091824.db2.gz IOLXZZCDCVAMMW-INIZCTEOSA-N 1 2 360.465 2.705 20 30 FFEDLO C[C@H]1C[N@H+](Cc2cncc(C#N)c2)C(C)(C)CN1Cc1cncc(C#N)c1 ZINC000930587231 1020091832 /nfs/dbraw/zinc/09/18/32/1020091832.db2.gz IOLXZZCDCVAMMW-INIZCTEOSA-N 1 2 360.465 2.705 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2cncc(C#N)c2)C(C)(C)CN1Cc1cncc(C#N)c1 ZINC000930587231 1020091837 /nfs/dbraw/zinc/09/18/37/1020091837.db2.gz IOLXZZCDCVAMMW-INIZCTEOSA-N 1 2 360.465 2.705 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(OC)cc3C#N)C2)CC1 ZINC001137698024 1032875022 /nfs/dbraw/zinc/87/50/22/1032875022.db2.gz GNOLOWAFQIZZGZ-UHFFFAOYSA-N 1 2 355.438 2.787 20 30 FFEDLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](CNc2ccc(C#N)cn2)C1 ZINC001048387276 1020190827 /nfs/dbraw/zinc/19/08/27/1020190827.db2.gz VIEGBQZRQMYZHN-XLNGHYISSA-N 1 2 364.453 2.519 20 30 FFEDLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](CNc2ccc(C#N)cn2)C1 ZINC001048387276 1020190837 /nfs/dbraw/zinc/19/08/37/1020190837.db2.gz VIEGBQZRQMYZHN-XLNGHYISSA-N 1 2 364.453 2.519 20 30 FFEDLO COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)c(C#N)c1 ZINC001137702369 1032885174 /nfs/dbraw/zinc/88/51/74/1032885174.db2.gz NITBPNCAZFQYBO-MAUKXSAKSA-N 1 2 351.406 2.506 20 30 FFEDLO COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)c(C#N)c1 ZINC001137702369 1032885186 /nfs/dbraw/zinc/88/51/86/1032885186.db2.gz NITBPNCAZFQYBO-MAUKXSAKSA-N 1 2 351.406 2.506 20 30 FFEDLO CC(C)(C)C#CC(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@H]21 ZINC001217843666 1032885792 /nfs/dbraw/zinc/88/57/92/1032885792.db2.gz GCEZXFYZWPCMBG-ZWKOTPCHSA-N 1 2 360.885 2.801 20 30 FFEDLO CC(C)(C)C#CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]21 ZINC001217843666 1032885811 /nfs/dbraw/zinc/88/58/11/1032885811.db2.gz GCEZXFYZWPCMBG-ZWKOTPCHSA-N 1 2 360.885 2.801 20 30 FFEDLO Cc1csc(C[C@@H]2CC[N@H+](Cn3cc4c(c(C#N)c3=O)CCCC4)C2)n1 ZINC000902539227 1020267229 /nfs/dbraw/zinc/26/72/29/1020267229.db2.gz JYEAOYXBGPEYEM-HNNXBMFYSA-N 1 2 368.506 2.886 20 30 FFEDLO Cc1csc(C[C@@H]2CC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCCC4)C2)n1 ZINC000902539227 1020267232 /nfs/dbraw/zinc/26/72/32/1020267232.db2.gz JYEAOYXBGPEYEM-HNNXBMFYSA-N 1 2 368.506 2.886 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)c1ccnnc1 ZINC001096060401 1020360583 /nfs/dbraw/zinc/36/05/83/1020360583.db2.gz ZIDXQVVXSVOWHY-QYZOEREBSA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)c1ccnnc1 ZINC001096060401 1020360597 /nfs/dbraw/zinc/36/05/97/1020360597.db2.gz ZIDXQVVXSVOWHY-QYZOEREBSA-N 1 2 366.852 2.517 20 30 FFEDLO N#Cc1ccc(N[C@H]2CCCN(C(=O)Nc3ccn4cc[nH+]c4c3)C2)nc1 ZINC000931224618 1020380598 /nfs/dbraw/zinc/38/05/98/1020380598.db2.gz OIBODOSFYWAEFM-INIZCTEOSA-N 1 2 361.409 2.709 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)c1cc(Cl)no1 ZINC001096400370 1020420018 /nfs/dbraw/zinc/42/00/18/1020420018.db2.gz ZWHVXXZQUMOGAH-PMPSAXMXSA-N 1 2 373.815 2.854 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)c1cc(Cl)no1 ZINC001096400370 1020420022 /nfs/dbraw/zinc/42/00/22/1020420022.db2.gz ZWHVXXZQUMOGAH-PMPSAXMXSA-N 1 2 373.815 2.854 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]nc2C2CC2)C3)s1 ZINC001098143282 1020454281 /nfs/dbraw/zinc/45/42/81/1020454281.db2.gz JAERJUFBGAFSSM-JLZZUVOBSA-N 1 2 367.478 2.756 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]nc2C2CC2)C3)s1 ZINC001098143282 1020454287 /nfs/dbraw/zinc/45/42/87/1020454287.db2.gz JAERJUFBGAFSSM-JLZZUVOBSA-N 1 2 367.478 2.756 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc4ccccc4c3)n2CC=C)CC1 ZINC000800772463 1020538321 /nfs/dbraw/zinc/53/83/21/1020538321.db2.gz DFCJMPOGRPHUFY-UHFFFAOYSA-N 1 2 371.488 2.963 20 30 FFEDLO C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@H+](Cc3cncc(C#N)c3)C2)O1 ZINC000931704826 1020555872 /nfs/dbraw/zinc/55/58/72/1020555872.db2.gz RNWDCICKIRRKBW-GCJKJVERSA-N 1 2 362.477 2.819 20 30 FFEDLO C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@@H+](Cc3cncc(C#N)c3)C2)O1 ZINC000931704826 1020555878 /nfs/dbraw/zinc/55/58/78/1020555878.db2.gz RNWDCICKIRRKBW-GCJKJVERSA-N 1 2 362.477 2.819 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001073905369 1020624438 /nfs/dbraw/zinc/62/44/38/1020624438.db2.gz CYDQZZHXVCCNNX-OKZBNKHCSA-N 1 2 366.864 2.889 20 30 FFEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001073905369 1020624443 /nfs/dbraw/zinc/62/44/43/1020624443.db2.gz CYDQZZHXVCCNNX-OKZBNKHCSA-N 1 2 366.864 2.889 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(NC(=O)NC)c1)C2 ZINC001098219708 1020741076 /nfs/dbraw/zinc/74/10/76/1020741076.db2.gz PZGJTXIKWNPZNX-OAGGEKHMSA-N 1 2 362.861 2.526 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(NC(=O)NC)c1)C2 ZINC001098219708 1020741081 /nfs/dbraw/zinc/74/10/81/1020741081.db2.gz PZGJTXIKWNPZNX-OAGGEKHMSA-N 1 2 362.861 2.526 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[N@H+](CCC(=O)Nc2ccccc2C#N)[C@@H]2C[C@@H]21 ZINC000932732731 1020888477 /nfs/dbraw/zinc/88/84/77/1020888477.db2.gz WXKHZFHJCVRCLT-SJORKVTESA-N 1 2 370.453 2.580 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@@H]2C[C@@H]21 ZINC000932732731 1020888481 /nfs/dbraw/zinc/88/84/81/1020888481.db2.gz WXKHZFHJCVRCLT-SJORKVTESA-N 1 2 370.453 2.580 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1Cc3cccc(F)c3O1)C2 ZINC001098440431 1020909788 /nfs/dbraw/zinc/90/97/88/1020909788.db2.gz ZJYDQQHCHYNYGZ-DMRZNYOFSA-N 1 2 350.821 2.603 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1Cc3cccc(F)c3O1)C2 ZINC001098440431 1020909794 /nfs/dbraw/zinc/90/97/94/1020909794.db2.gz ZJYDQQHCHYNYGZ-DMRZNYOFSA-N 1 2 350.821 2.603 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@H+](C[C@@H]3CCC4(CCOCC4)CO3)CCO2)cc1 ZINC000933629397 1021054545 /nfs/dbraw/zinc/05/45/45/1021054545.db2.gz BQNPULMZDLTSPK-PMACEKPBSA-N 1 2 356.466 2.907 20 30 FFEDLO N#Cc1ccc([C@@H]2C[N@@H+](C[C@@H]3CCC4(CCOCC4)CO3)CCO2)cc1 ZINC000933629397 1021054549 /nfs/dbraw/zinc/05/45/49/1021054549.db2.gz BQNPULMZDLTSPK-PMACEKPBSA-N 1 2 356.466 2.907 20 30 FFEDLO O=C1C=COC2(CC[NH+](Cc3nc(-c4ccc(F)c(F)c4)no3)CC2)C1 ZINC000933650382 1021058984 /nfs/dbraw/zinc/05/89/84/1021058984.db2.gz PURFRDDZZFPHRL-UHFFFAOYSA-N 1 2 361.348 2.853 20 30 FFEDLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933650799 1021059096 /nfs/dbraw/zinc/05/90/96/1021059096.db2.gz WKCDGGGELUOEHU-INIZCTEOSA-N 1 2 361.442 2.818 20 30 FFEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(C#N)cc1C1CC1 ZINC000933853194 1021101888 /nfs/dbraw/zinc/10/18/88/1021101888.db2.gz JSVBYSMGSASNBP-WMLDXEAASA-N 1 2 354.454 2.763 20 30 FFEDLO Cc1n[nH]c(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2ccc(C#N)s2)C3)c1C ZINC001098763994 1021122629 /nfs/dbraw/zinc/12/26/29/1021122629.db2.gz VAHGXXQTKHARSP-LIRRHRJNSA-N 1 2 369.494 2.744 20 30 FFEDLO Cc1n[nH]c(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2ccc(C#N)s2)C3)c1C ZINC001098763994 1021122633 /nfs/dbraw/zinc/12/26/33/1021122633.db2.gz VAHGXXQTKHARSP-LIRRHRJNSA-N 1 2 369.494 2.744 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000935088874 1021562122 /nfs/dbraw/zinc/56/21/22/1021562122.db2.gz AAHARPQBIABQRR-OAHLLOKOSA-N 1 2 374.485 2.549 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2nnc(CC)o2)C3)CC1 ZINC001099012230 1021589385 /nfs/dbraw/zinc/58/93/85/1021589385.db2.gz SZWLGDISYAKMSP-JXFKEZNVSA-N 1 2 358.486 2.849 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2nnc(CC)o2)C3)CC1 ZINC001099012230 1021589396 /nfs/dbraw/zinc/58/93/96/1021589396.db2.gz SZWLGDISYAKMSP-JXFKEZNVSA-N 1 2 358.486 2.849 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ocnc2CC)C1 ZINC001099018851 1021608405 /nfs/dbraw/zinc/60/84/05/1021608405.db2.gz UHKPJODPJVQUIF-LRDDRELGSA-N 1 2 368.275 2.730 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ocnc2CC)C1 ZINC001099018851 1021608408 /nfs/dbraw/zinc/60/84/08/1021608408.db2.gz UHKPJODPJVQUIF-LRDDRELGSA-N 1 2 368.275 2.730 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2[nH]c(C)nc2C)C1 ZINC001099035279 1021642384 /nfs/dbraw/zinc/64/23/84/1021642384.db2.gz QHLYYWLOMPISAJ-BBRMVZONSA-N 1 2 367.291 2.519 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2[nH]c(C)nc2C)C1 ZINC001099035279 1021642390 /nfs/dbraw/zinc/64/23/90/1021642390.db2.gz QHLYYWLOMPISAJ-BBRMVZONSA-N 1 2 367.291 2.519 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)CC1CCCC1)C2 ZINC001111093746 1021687100 /nfs/dbraw/zinc/68/71/00/1021687100.db2.gz HRDWHVLUINGPFP-MANSERQUSA-N 1 2 361.530 2.617 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)CC1CCCC1)C2 ZINC001111093746 1021687105 /nfs/dbraw/zinc/68/71/05/1021687105.db2.gz HRDWHVLUINGPFP-MANSERQUSA-N 1 2 361.530 2.617 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nccn2C)C1 ZINC001099288790 1022226855 /nfs/dbraw/zinc/22/68/55/1022226855.db2.gz AYJNXFNRDXPOFO-CHWSQXEVSA-N 1 2 358.408 2.501 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)c3nnc(C)[nH]3)C2)C1 ZINC001099303058 1022260965 /nfs/dbraw/zinc/26/09/65/1022260965.db2.gz FUQORPJFHNRMEE-CYZMBNFOSA-N 1 2 371.407 2.509 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@]23CCC[C@H]2OCC3)cc1 ZINC001017729266 1022290149 /nfs/dbraw/zinc/29/01/49/1022290149.db2.gz XJVGAIIGBVZZNM-DYQZNNLLSA-N 1 2 365.477 2.693 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@]23CCC[C@H]2OCC3)cc1 ZINC001017729266 1022290151 /nfs/dbraw/zinc/29/01/51/1022290151.db2.gz XJVGAIIGBVZZNM-DYQZNNLLSA-N 1 2 365.477 2.693 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1C(F)(F)F ZINC001038714188 1022681524 /nfs/dbraw/zinc/68/15/24/1022681524.db2.gz KTSPRSNFDDGPNC-UXLLHSPISA-N 1 2 368.399 2.987 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC001038714188 1022681534 /nfs/dbraw/zinc/68/15/34/1022681534.db2.gz KTSPRSNFDDGPNC-UXLLHSPISA-N 1 2 368.399 2.987 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2CC(C)C)cc1C#N ZINC001038722883 1022688684 /nfs/dbraw/zinc/68/86/84/1022688684.db2.gz UBCIDWMNEFWURX-NZSAHSFTSA-N 1 2 355.482 2.940 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2CC(C)C)cc1C#N ZINC001038722883 1022688691 /nfs/dbraw/zinc/68/86/91/1022688691.db2.gz UBCIDWMNEFWURX-NZSAHSFTSA-N 1 2 355.482 2.940 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1c(C)onc1CC ZINC001038797965 1022710598 /nfs/dbraw/zinc/71/05/98/1022710598.db2.gz WNSJDFJPKJZPAZ-BXWFABGCSA-N 1 2 361.486 2.607 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1c(C)onc1CC ZINC001038797965 1022710610 /nfs/dbraw/zinc/71/06/10/1022710610.db2.gz WNSJDFJPKJZPAZ-BXWFABGCSA-N 1 2 361.486 2.607 20 30 FFEDLO Cc1ccc(C#N)c(NC2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)n1 ZINC001067303488 1022781389 /nfs/dbraw/zinc/78/13/89/1022781389.db2.gz IGMUVOOPKISOCS-HZPDHXFCSA-N 1 2 364.453 2.582 20 30 FFEDLO Cc1ccc(C#N)c(NC2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)n1 ZINC001067303488 1022781401 /nfs/dbraw/zinc/78/14/01/1022781401.db2.gz IGMUVOOPKISOCS-HZPDHXFCSA-N 1 2 364.453 2.582 20 30 FFEDLO C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000779094862 1022790979 /nfs/dbraw/zinc/79/09/79/1022790979.db2.gz FVIBYRWTWBULJA-YERXGYGTSA-N 1 2 353.422 2.601 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001040358482 1022835094 /nfs/dbraw/zinc/83/50/94/1022835094.db2.gz RHGPVTXOZXBGHU-VKSDOSABSA-N 1 2 358.486 2.663 20 30 FFEDLO Cc1cc(C#N)cc(C)c1CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001119563691 1022862927 /nfs/dbraw/zinc/86/29/27/1022862927.db2.gz LSAUJJIGQIRBFW-QGZVFWFLSA-N 1 2 350.466 2.932 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001490927470 1022977889 /nfs/dbraw/zinc/97/78/89/1022977889.db2.gz CMLXWLXAWDXUIV-UWVAXJGDSA-N 1 2 358.486 2.688 20 30 FFEDLO CCOC(=O)Nc1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1C#N ZINC000752305413 1023111349 /nfs/dbraw/zinc/11/13/49/1023111349.db2.gz OJCVJQHNSCAXBB-UHFFFAOYSA-N 1 2 370.413 2.925 20 30 FFEDLO N#Cc1ccsc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001119830860 1023119861 /nfs/dbraw/zinc/11/98/61/1023119861.db2.gz PQTONWMOMBIAFS-MRXNPFEDSA-N 1 2 356.451 2.642 20 30 FFEDLO N#Cc1ccsc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001119830860 1023119870 /nfs/dbraw/zinc/11/98/70/1023119870.db2.gz PQTONWMOMBIAFS-MRXNPFEDSA-N 1 2 356.451 2.642 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1ccc(OC)cc1 ZINC001122400486 1023245236 /nfs/dbraw/zinc/24/52/36/1023245236.db2.gz RIMSKHFQYMPZJH-UHFFFAOYSA-N 1 2 366.469 2.824 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)C[C@H](C)c1nccs1 ZINC001122490673 1023301720 /nfs/dbraw/zinc/30/17/20/1023301720.db2.gz PUZIVJUHRULNOJ-AWEZNQCLSA-N 1 2 371.514 2.875 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(C)(C#N)CC1 ZINC001122543711 1023330809 /nfs/dbraw/zinc/33/08/09/1023330809.db2.gz MQMSLPZIQDCJMV-QGZVFWFLSA-N 1 2 372.517 2.766 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(C)(C#N)CC1 ZINC001122543711 1023330816 /nfs/dbraw/zinc/33/08/16/1023330816.db2.gz MQMSLPZIQDCJMV-QGZVFWFLSA-N 1 2 372.517 2.766 20 30 FFEDLO CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000753930116 1023400509 /nfs/dbraw/zinc/40/05/09/1023400509.db2.gz VGIREYNALXFDQY-OKILXGFUSA-N 1 2 374.401 2.704 20 30 FFEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)[C@H]2C1 ZINC000754796002 1023519741 /nfs/dbraw/zinc/51/97/41/1023519741.db2.gz LBUKHVDFIOWASW-HOJAQTOUSA-N 1 2 352.438 2.648 20 30 FFEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)[C@H]2C1 ZINC000754796002 1023519743 /nfs/dbraw/zinc/51/97/43/1023519743.db2.gz LBUKHVDFIOWASW-HOJAQTOUSA-N 1 2 352.438 2.648 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(CC(F)F)C1CCC1 ZINC001121323789 1023708387 /nfs/dbraw/zinc/70/83/87/1023708387.db2.gz DJRQIKHPYOWBJY-UHFFFAOYSA-N 1 2 352.433 2.532 20 30 FFEDLO C#CC1CCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2C[C@@H]2CCCCO2)CC1 ZINC001123304161 1023733082 /nfs/dbraw/zinc/73/30/82/1023733082.db2.gz PIRNAHFCZKFTQI-OALUTQOASA-N 1 2 371.529 2.854 20 30 FFEDLO C#CC1CCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2C[C@@H]2CCCCO2)CC1 ZINC001123304161 1023733085 /nfs/dbraw/zinc/73/30/85/1023733085.db2.gz PIRNAHFCZKFTQI-OALUTQOASA-N 1 2 371.529 2.854 20 30 FFEDLO C=CCn1c(N2CCC(C)(C(C)C)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121607746 1023877899 /nfs/dbraw/zinc/87/78/99/1023877899.db2.gz PKWABOOXYBWZNS-OXQOHEQNSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC(C)(C(C)C)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121607746 1023877909 /nfs/dbraw/zinc/87/79/09/1023877909.db2.gz PKWABOOXYBWZNS-OXQOHEQNSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2C[C@H](C)c3ccccc32)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121606816 1023878009 /nfs/dbraw/zinc/87/80/09/1023878009.db2.gz DKLXAGPBOOBFCN-AUSJPIAWSA-N 1 2 353.470 2.631 20 30 FFEDLO C=CCn1c(N2C[C@H](C)c3ccccc32)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001121606816 1023878012 /nfs/dbraw/zinc/87/80/12/1023878012.db2.gz DKLXAGPBOOBFCN-AUSJPIAWSA-N 1 2 353.470 2.631 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C(C)C)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121607936 1023878244 /nfs/dbraw/zinc/87/82/44/1023878244.db2.gz QIDZUJWOKIQCGZ-SQGPQFPESA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C(C)C)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121607936 1023878253 /nfs/dbraw/zinc/87/82/53/1023878253.db2.gz QIDZUJWOKIQCGZ-SQGPQFPESA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)[C@H]1CCC[C@H]1C(C)(C)C ZINC001121610542 1023880354 /nfs/dbraw/zinc/88/03/54/1023880354.db2.gz SXMPQWUUVFAIBQ-YVSFHVDLSA-N 1 2 361.534 2.853 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)[C@H]1CCC[C@H]1C(C)(C)C ZINC001121610542 1023880366 /nfs/dbraw/zinc/88/03/66/1023880366.db2.gz SXMPQWUUVFAIBQ-YVSFHVDLSA-N 1 2 361.534 2.853 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(CC)Cc1ccc(OC)cc1 ZINC001121619863 1023885093 /nfs/dbraw/zinc/88/50/93/1023885093.db2.gz FGKPAAVCZGFHLL-UHFFFAOYSA-N 1 2 366.469 2.824 20 30 FFEDLO C#CC[C@@H](CC)c1nnc(N2CC[NH+](Cc3ccccn3)CC2)n1CC ZINC001121746499 1023966719 /nfs/dbraw/zinc/96/67/19/1023966719.db2.gz XCISSLSETRVKAL-QGZVFWFLSA-N 1 2 352.486 2.532 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CC4)no3)C[C@@]2(C)C1 ZINC001101325237 1024454983 /nfs/dbraw/zinc/45/49/83/1024454983.db2.gz LVMHARNXHGACLV-UTKZUKDTSA-N 1 2 370.497 2.811 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CC4)no3)C[C@@]2(C)C1 ZINC001101325237 1024454987 /nfs/dbraw/zinc/45/49/87/1024454987.db2.gz LVMHARNXHGACLV-UTKZUKDTSA-N 1 2 370.497 2.811 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@@H+]([C@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001101326350 1024456343 /nfs/dbraw/zinc/45/63/43/1024456343.db2.gz RNDHRKVPLJMHEA-LZJOCLMNSA-N 1 2 371.529 2.792 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@H+]([C@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001101326350 1024456349 /nfs/dbraw/zinc/45/63/49/1024456349.db2.gz RNDHRKVPLJMHEA-LZJOCLMNSA-N 1 2 371.529 2.792 20 30 FFEDLO CC[C@@H](C)NC(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000194617711 1024867918 /nfs/dbraw/zinc/86/79/18/1024867918.db2.gz FPASQOSROUTTDE-OAHLLOKOSA-N 1 2 355.438 2.817 20 30 FFEDLO C#CC[N@@H+](CC(=O)NCc1ccc(NC(=O)OC)cc1)Cc1ccccc1 ZINC000796640293 1025371243 /nfs/dbraw/zinc/37/12/43/1025371243.db2.gz WMFMJQBXBXZQSY-UHFFFAOYSA-N 1 2 365.433 2.617 20 30 FFEDLO C#CC[N@H+](CC(=O)NCc1ccc(NC(=O)OC)cc1)Cc1ccccc1 ZINC000796640293 1025371273 /nfs/dbraw/zinc/37/12/73/1025371273.db2.gz WMFMJQBXBXZQSY-UHFFFAOYSA-N 1 2 365.433 2.617 20 30 FFEDLO C#CC[N@@H+](CC(=O)NCc1ccccc1COCC)Cc1ccccc1 ZINC000796638614 1025371950 /nfs/dbraw/zinc/37/19/50/1025371950.db2.gz BSFRUFRYJWTGDA-UHFFFAOYSA-N 1 2 350.462 2.975 20 30 FFEDLO C#CC[N@H+](CC(=O)NCc1ccccc1COCC)Cc1ccccc1 ZINC000796638614 1025371962 /nfs/dbraw/zinc/37/19/62/1025371962.db2.gz BSFRUFRYJWTGDA-UHFFFAOYSA-N 1 2 350.462 2.975 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3sc(N)c(C#N)c3Cl)C[C@H]21 ZINC001141113527 1025474609 /nfs/dbraw/zinc/47/46/09/1025474609.db2.gz JCXNCQQSEFXMEC-MWLCHTKSSA-N 1 2 368.890 2.906 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3sc(N)c(C#N)c3Cl)C[C@H]21 ZINC001141113527 1025474616 /nfs/dbraw/zinc/47/46/16/1025474616.db2.gz JCXNCQQSEFXMEC-MWLCHTKSSA-N 1 2 368.890 2.906 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141116164 1025478051 /nfs/dbraw/zinc/47/80/51/1025478051.db2.gz SHCODPFLASHBOH-SNVBAGLBSA-N 1 2 354.863 2.732 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141116164 1025478059 /nfs/dbraw/zinc/47/80/59/1025478059.db2.gz SHCODPFLASHBOH-SNVBAGLBSA-N 1 2 354.863 2.732 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001141166139 1025552645 /nfs/dbraw/zinc/55/26/45/1025552645.db2.gz WSLYNRUJWCBCGZ-UZLBHIALSA-N 1 2 371.387 2.759 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001141166139 1025552653 /nfs/dbraw/zinc/55/26/53/1025552653.db2.gz WSLYNRUJWCBCGZ-UZLBHIALSA-N 1 2 371.387 2.759 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2ncnn2CC(C)C)C[C@H]1C ZINC001102263072 1025660318 /nfs/dbraw/zinc/66/03/18/1025660318.db2.gz UWBGLDILCRQSIK-FGTMMUONSA-N 1 2 361.534 2.721 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ncnn2CC(C)C)C[C@H]1C ZINC001102263072 1025660323 /nfs/dbraw/zinc/66/03/23/1025660323.db2.gz UWBGLDILCRQSIK-FGTMMUONSA-N 1 2 361.534 2.721 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2nn(C)cc2Cl)C[C@H]1C ZINC001102262971 1025661617 /nfs/dbraw/zinc/66/16/17/1025661617.db2.gz QUQMOUVDJPJWHH-RBSFLKMASA-N 1 2 352.910 2.860 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2nn(C)cc2Cl)C[C@H]1C ZINC001102262971 1025661623 /nfs/dbraw/zinc/66/16/23/1025661623.db2.gz QUQMOUVDJPJWHH-RBSFLKMASA-N 1 2 352.910 2.860 20 30 FFEDLO C#C[C@@H](NC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC000838596799 1026429804 /nfs/dbraw/zinc/42/98/04/1026429804.db2.gz WMWXOAOLHONNAO-AZUAARDMSA-N 1 2 357.498 2.577 20 30 FFEDLO C#C[C@H](NC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC000838596801 1026430048 /nfs/dbraw/zinc/43/00/48/1026430048.db2.gz WMWXOAOLHONNAO-ICSRJNTNSA-N 1 2 357.498 2.577 20 30 FFEDLO CCCCc1nc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)C#CC(C)C)C2)no1 ZINC001102955743 1026830034 /nfs/dbraw/zinc/83/00/34/1026830034.db2.gz DQJOQCISZRPUDK-IAGOWNOFSA-N 1 2 360.502 2.646 20 30 FFEDLO CCCCc1nc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)C#CC(C)C)C2)no1 ZINC001102955743 1026830040 /nfs/dbraw/zinc/83/00/40/1026830040.db2.gz DQJOQCISZRPUDK-IAGOWNOFSA-N 1 2 360.502 2.646 20 30 FFEDLO CC(=O)OCc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)o1 ZINC001141793002 1026991584 /nfs/dbraw/zinc/99/15/84/1026991584.db2.gz YYYYKZPWRFSRCF-UHFFFAOYSA-N 1 2 357.385 2.676 20 30 FFEDLO CSc1nc(C[N@@H+]2CCC[C@H](Oc3cc(C)ncn3)C2)ccc1C#N ZINC001141945796 1027199447 /nfs/dbraw/zinc/19/94/47/1027199447.db2.gz NAAQOCHDSYCZDO-INIZCTEOSA-N 1 2 355.467 2.817 20 30 FFEDLO CSc1nc(C[N@H+]2CCC[C@H](Oc3cc(C)ncn3)C2)ccc1C#N ZINC001141945796 1027199455 /nfs/dbraw/zinc/19/94/55/1027199455.db2.gz NAAQOCHDSYCZDO-INIZCTEOSA-N 1 2 355.467 2.817 20 30 FFEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001154400246 1028276836 /nfs/dbraw/zinc/27/68/36/1028276836.db2.gz PFZHJOYEJJWRGZ-CBBWQLFWSA-N 1 2 359.308 2.537 20 30 FFEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001154400246 1028276850 /nfs/dbraw/zinc/27/68/50/1028276850.db2.gz PFZHJOYEJJWRGZ-CBBWQLFWSA-N 1 2 359.308 2.537 20 30 FFEDLO N#CCc1ccc[nH+]c1NC[C@H]1Cn2nnc(-c3cccc(F)c3)c2CO1 ZINC001163615796 1028992829 /nfs/dbraw/zinc/99/28/29/1028992829.db2.gz OVPHWZSPCOTZCC-INIZCTEOSA-N 1 2 364.384 2.556 20 30 FFEDLO CCC(CC)n1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H](C)C#N)C2)n1 ZINC001111666887 1029094228 /nfs/dbraw/zinc/09/42/28/1029094228.db2.gz ODACSPOBTDOKAR-FTRWYGJKSA-N 1 2 357.502 2.875 20 30 FFEDLO CCC(CC)n1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H](C)C#N)C2)n1 ZINC001111666887 1029094242 /nfs/dbraw/zinc/09/42/42/1029094242.db2.gz ODACSPOBTDOKAR-FTRWYGJKSA-N 1 2 357.502 2.875 20 30 FFEDLO N#Cc1c(Cl)ccnc1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC001163896491 1029108646 /nfs/dbraw/zinc/10/86/46/1029108646.db2.gz KOIRQMXOSJOQDT-UHFFFAOYSA-N 1 2 356.813 2.658 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C(C)C)n1C)C2 ZINC001111711100 1029210374 /nfs/dbraw/zinc/21/03/74/1029210374.db2.gz BTTHNHPMJMEEEE-UWJYYQICSA-N 1 2 371.529 2.603 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C(C)C)n1C)C2 ZINC001111711100 1029210386 /nfs/dbraw/zinc/21/03/86/1029210386.db2.gz BTTHNHPMJMEEEE-UWJYYQICSA-N 1 2 371.529 2.603 20 30 FFEDLO CC(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc3c(o1)CCCC3)C2 ZINC001111738985 1029297585 /nfs/dbraw/zinc/29/75/85/1029297585.db2.gz UAUKHJMNAPOPAE-KKSFZXQISA-N 1 2 355.482 2.684 20 30 FFEDLO CC(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc3c(o1)CCCC3)C2 ZINC001111738985 1029297599 /nfs/dbraw/zinc/29/75/99/1029297599.db2.gz UAUKHJMNAPOPAE-KKSFZXQISA-N 1 2 355.482 2.684 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(CC3CC3)no1)C2 ZINC001111765196 1029385089 /nfs/dbraw/zinc/38/50/89/1029385089.db2.gz ZFJBRVRSHIVEPO-JXFKEZNVSA-N 1 2 358.486 2.849 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(CC3CC3)no1)C2 ZINC001111765196 1029385107 /nfs/dbraw/zinc/38/51/07/1029385107.db2.gz ZFJBRVRSHIVEPO-JXFKEZNVSA-N 1 2 358.486 2.849 20 30 FFEDLO COc1cc(C(F)(F)NCc2ccc(N)[nH+]c2C)c(C#N)c(Cl)n1 ZINC001156981266 1029430959 /nfs/dbraw/zinc/43/09/59/1029430959.db2.gz XHZNMEAWVBKRBD-UHFFFAOYSA-N 1 2 353.760 2.740 20 30 FFEDLO CCOC(=O)c1cc2n(n1)CCCN(c1[nH+]ccc3ccc(C#N)cc31)C2 ZINC001165292121 1029933239 /nfs/dbraw/zinc/93/32/39/1029933239.db2.gz MXFLJRWQUHAIFG-UHFFFAOYSA-N 1 2 361.405 2.890 20 30 FFEDLO C#Cc1cccc(NC(=O)C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000783370613 1030056588 /nfs/dbraw/zinc/05/65/88/1030056588.db2.gz JIGUEELMHWSDHV-UHFFFAOYSA-N 1 2 364.449 2.522 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3nccn3C)C2)CC1 ZINC001112161470 1030121044 /nfs/dbraw/zinc/12/10/44/1030121044.db2.gz SKBQKIAPTGPLNJ-ZIAGYGMSSA-N 1 2 370.419 2.645 20 30 FFEDLO CN1Cc2ccccc2CC2(CCN(c3cc(CC#N)cc[nH+]3)CC2)C1=O ZINC001166090404 1030243450 /nfs/dbraw/zinc/24/34/50/1030243450.db2.gz SGRCPDBMZAJHQV-UHFFFAOYSA-N 1 2 360.461 2.949 20 30 FFEDLO Cc1c[nH+]c(C)c(Nc2c(C#N)cnn2-c2ccc(S(C)(=O)=O)cc2)c1 ZINC001203657161 1030807710 /nfs/dbraw/zinc/80/77/10/1030807710.db2.gz KEXVMCUTVNTQNV-UHFFFAOYSA-N 1 2 367.434 2.903 20 30 FFEDLO C[C@H](CCCNc1cccc(F)c1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001115110400 1031049637 /nfs/dbraw/zinc/04/96/37/1031049637.db2.gz SKXYJDJMTGHRQA-MGPQQGTHSA-N 1 2 355.417 2.921 20 30 FFEDLO C[C@H](CCCNc1cccc(F)c1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001115110400 1031049657 /nfs/dbraw/zinc/04/96/57/1031049657.db2.gz SKXYJDJMTGHRQA-MGPQQGTHSA-N 1 2 355.417 2.921 20 30 FFEDLO COC(=O)c1ccc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)cc1 ZINC001205493822 1031790017 /nfs/dbraw/zinc/79/00/17/1031790017.db2.gz TYFUFFKFPDTGKF-UHFFFAOYSA-N 1 2 353.397 2.806 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc([C@@H](C)OC)no3)[C@H]2C1 ZINC001223392998 1033423282 /nfs/dbraw/zinc/42/32/82/1033423282.db2.gz HDUHKNARRFRYHK-OAGGEKHMSA-N 1 2 362.474 2.556 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc([C@@H](C)OC)no3)[C@H]2C1 ZINC001223392998 1033423287 /nfs/dbraw/zinc/42/32/87/1033423287.db2.gz HDUHKNARRFRYHK-OAGGEKHMSA-N 1 2 362.474 2.556 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001223587170 1033507929 /nfs/dbraw/zinc/50/79/29/1033507929.db2.gz QNHONJFWXVWZSY-AEFFLSMTSA-N 1 2 359.518 2.632 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001223587170 1033507939 /nfs/dbraw/zinc/50/79/39/1033507939.db2.gz QNHONJFWXVWZSY-AEFFLSMTSA-N 1 2 359.518 2.632 20 30 FFEDLO CCCCCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3cn(C)nn3)[C@H]2C1 ZINC001223984573 1033670422 /nfs/dbraw/zinc/67/04/22/1033670422.db2.gz FNEFGODIAQQIJL-MJGOQNOKSA-N 1 2 361.534 2.989 20 30 FFEDLO CCCCCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(C)nn3)[C@H]2C1 ZINC001223984573 1033670428 /nfs/dbraw/zinc/67/04/28/1033670428.db2.gz FNEFGODIAQQIJL-MJGOQNOKSA-N 1 2 361.534 2.989 20 30 FFEDLO C=CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3cnon3)[C@H]2C1)c1ccccc1 ZINC001224198515 1033770571 /nfs/dbraw/zinc/77/05/71/1033770571.db2.gz NUDYVGFKADTAQG-RLLQIKCJSA-N 1 2 366.465 2.852 20 30 FFEDLO C=CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnon3)[C@H]2C1)c1ccccc1 ZINC001224198515 1033770583 /nfs/dbraw/zinc/77/05/83/1033770583.db2.gz NUDYVGFKADTAQG-RLLQIKCJSA-N 1 2 366.465 2.852 20 30 FFEDLO N#CCCCC[N@H+]1C[C@]2(F)CN(CCc3ccccc3F)C(=O)[C@]2(F)C1 ZINC001276956753 1033777002 /nfs/dbraw/zinc/77/70/02/1033777002.db2.gz UNORPFMJPRZAPV-RBUKOAKNSA-N 1 2 365.399 2.636 20 30 FFEDLO N#CCCCC[N@@H+]1C[C@]2(F)CN(CCc3ccccc3F)C(=O)[C@]2(F)C1 ZINC001276956753 1033777016 /nfs/dbraw/zinc/77/70/16/1033777016.db2.gz UNORPFMJPRZAPV-RBUKOAKNSA-N 1 2 365.399 2.636 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001219710895 1033779583 /nfs/dbraw/zinc/77/95/83/1033779583.db2.gz NHVCEJYGOHJPBZ-CVEARBPZSA-N 1 2 356.388 2.723 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001219710895 1033779596 /nfs/dbraw/zinc/77/95/96/1033779596.db2.gz NHVCEJYGOHJPBZ-CVEARBPZSA-N 1 2 356.388 2.723 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3c2c(F)ccc3F)C[C@@H]1O ZINC001220133803 1033999400 /nfs/dbraw/zinc/99/94/00/1033999400.db2.gz NZOMWSACESOSJK-ZACQAIPSSA-N 1 2 364.436 2.716 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3c2c(F)ccc3F)C[C@@H]1O ZINC001220133803 1033999408 /nfs/dbraw/zinc/99/94/08/1033999408.db2.gz NZOMWSACESOSJK-ZACQAIPSSA-N 1 2 364.436 2.716 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cc(F)ccc2F)C[C@@H]1O ZINC001220149675 1034007627 /nfs/dbraw/zinc/00/76/27/1034007627.db2.gz XKQQJPMMWTVUAH-KYNGSXCRSA-N 1 2 364.436 2.771 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cc(F)ccc2F)C[C@@H]1O ZINC001220149675 1034007641 /nfs/dbraw/zinc/00/76/41/1034007641.db2.gz XKQQJPMMWTVUAH-KYNGSXCRSA-N 1 2 364.436 2.771 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(CCC)n1 ZINC001225239498 1034177032 /nfs/dbraw/zinc/17/70/32/1034177032.db2.gz RVZNDSIYTWCLTL-BZUAXINKSA-N 1 2 364.490 2.520 20 30 FFEDLO CC(C)CCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001220485699 1034211474 /nfs/dbraw/zinc/21/14/74/1034211474.db2.gz RZSACVCTICHETC-UXHICEINSA-N 1 2 357.498 2.826 20 30 FFEDLO CC(C)CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001220485699 1034211480 /nfs/dbraw/zinc/21/14/80/1034211480.db2.gz RZSACVCTICHETC-UXHICEINSA-N 1 2 357.498 2.826 20 30 FFEDLO CC(C)(C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001220586406 1034271810 /nfs/dbraw/zinc/27/18/10/1034271810.db2.gz ZZWAQWDTMURUNU-MSOLQXFVSA-N 1 2 362.901 2.679 20 30 FFEDLO CC(C)(C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001220586406 1034271823 /nfs/dbraw/zinc/27/18/23/1034271823.db2.gz ZZWAQWDTMURUNU-MSOLQXFVSA-N 1 2 362.901 2.679 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2Cc3nn(C)cc3[C@@H](COCC3CC3)C2)cc1 ZINC001138558999 1034412279 /nfs/dbraw/zinc/41/22/79/1034412279.db2.gz CCUYBMCKDZLQGW-LJQANCHMSA-N 1 2 365.477 2.958 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2Cc3nn(C)cc3[C@@H](COCC3CC3)C2)cc1 ZINC001138558999 1034412287 /nfs/dbraw/zinc/41/22/87/1034412287.db2.gz CCUYBMCKDZLQGW-LJQANCHMSA-N 1 2 365.477 2.958 20 30 FFEDLO C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 ZINC001221294532 1034655479 /nfs/dbraw/zinc/65/54/79/1034655479.db2.gz VYCJOUHVSTWJGM-XJKCOSOUSA-N 1 2 365.449 2.815 20 30 FFEDLO C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 ZINC001221294532 1034655486 /nfs/dbraw/zinc/65/54/86/1034655486.db2.gz VYCJOUHVSTWJGM-XJKCOSOUSA-N 1 2 365.449 2.815 20 30 FFEDLO C[N@H+](CCO)Cc1cc(NC(=O)c2ccc(C#N)c(O)c2)ccc1Cl ZINC001138795004 1034668435 /nfs/dbraw/zinc/66/84/35/1034668435.db2.gz KGMXWEISOGSGJC-UHFFFAOYSA-N 1 2 359.813 2.594 20 30 FFEDLO C[N@@H+](CCO)Cc1cc(NC(=O)c2ccc(C#N)c(O)c2)ccc1Cl ZINC001138795004 1034668439 /nfs/dbraw/zinc/66/84/39/1034668439.db2.gz KGMXWEISOGSGJC-UHFFFAOYSA-N 1 2 359.813 2.594 20 30 FFEDLO CCO[C@@H](CC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221373750 1034696715 /nfs/dbraw/zinc/69/67/15/1034696715.db2.gz XNPXCAQGDRFLRS-QRQLOZEOSA-N 1 2 359.445 2.545 20 30 FFEDLO CCO[C@@H](CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221373750 1034696717 /nfs/dbraw/zinc/69/67/17/1034696717.db2.gz XNPXCAQGDRFLRS-QRQLOZEOSA-N 1 2 359.445 2.545 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)c3nc(-c4ccco4)no3)C[C@H]21 ZINC001221424514 1034743421 /nfs/dbraw/zinc/74/34/21/1034743421.db2.gz HBMNMTZLNMOOMA-RRFJBIMHSA-N 1 2 356.426 2.890 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)c3nc(-c4ccco4)no3)C[C@H]21 ZINC001221424514 1034743432 /nfs/dbraw/zinc/74/34/32/1034743432.db2.gz HBMNMTZLNMOOMA-RRFJBIMHSA-N 1 2 356.426 2.890 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc(C)c3)C[C@H]21 ZINC001221425029 1034743549 /nfs/dbraw/zinc/74/35/49/1034743549.db2.gz WTICXCOZWWYMRP-ZHALLVOQSA-N 1 2 355.482 2.821 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc(C)c3)C[C@H]21 ZINC001221425029 1034743556 /nfs/dbraw/zinc/74/35/56/1034743556.db2.gz WTICXCOZWWYMRP-ZHALLVOQSA-N 1 2 355.482 2.821 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(OC(F)(F)F)cc2OC)CC1 ZINC001138852110 1034743853 /nfs/dbraw/zinc/74/38/53/1034743853.db2.gz MBFYLVAHUNXAAS-UHFFFAOYSA-N 1 2 372.343 2.873 20 30 FFEDLO CCCCOCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221463019 1034788747 /nfs/dbraw/zinc/78/87/47/1034788747.db2.gz LOGSSIMUIZGLKX-VQIMIIECSA-N 1 2 359.445 2.547 20 30 FFEDLO CCCCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221463019 1034788759 /nfs/dbraw/zinc/78/87/59/1034788759.db2.gz LOGSSIMUIZGLKX-VQIMIIECSA-N 1 2 359.445 2.547 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@H]2CN(C(=O)C#CC(C)(C)C)[C@@H]2C1 ZINC001221539312 1034859125 /nfs/dbraw/zinc/85/91/25/1034859125.db2.gz VJTYRHQIHNUCAL-YQVWRLOYSA-N 1 2 367.493 2.596 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@@H]2CN(C(=O)C#CC(C)(C)C)[C@@H]2C1 ZINC001221539312 1034859129 /nfs/dbraw/zinc/85/91/29/1034859129.db2.gz VJTYRHQIHNUCAL-YQVWRLOYSA-N 1 2 367.493 2.596 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)cs3)C[C@H]21 ZINC001221718223 1035008778 /nfs/dbraw/zinc/00/87/78/1035008778.db2.gz GWQRPGVXJYCJHI-GPMSIDNRSA-N 1 2 363.527 2.713 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)cs3)C[C@H]21 ZINC001221718223 1035008786 /nfs/dbraw/zinc/00/87/86/1035008786.db2.gz GWQRPGVXJYCJHI-GPMSIDNRSA-N 1 2 363.527 2.713 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC001221753919 1035040592 /nfs/dbraw/zinc/04/05/92/1035040592.db2.gz SJKTYYJDSYZTTB-ZHALLVOQSA-N 1 2 361.530 2.570 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC001221753919 1035040598 /nfs/dbraw/zinc/04/05/98/1035040598.db2.gz SJKTYYJDSYZTTB-ZHALLVOQSA-N 1 2 361.530 2.570 20 30 FFEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccc(N3CCCCC3)nc2)CC1 ZINC001139344572 1035067106 /nfs/dbraw/zinc/06/71/06/1035067106.db2.gz ANTKQVSBTHHWKK-UHFFFAOYSA-N 1 2 356.470 2.741 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC001221839557 1035107171 /nfs/dbraw/zinc/10/71/71/1035107171.db2.gz YKXNPENKCQZUJB-SJLPKXTDSA-N 1 2 361.530 2.570 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC001221839557 1035107175 /nfs/dbraw/zinc/10/71/75/1035107175.db2.gz YKXNPENKCQZUJB-SJLPKXTDSA-N 1 2 361.530 2.570 20 30 FFEDLO N#Cc1ccc(C[N@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)cc1F ZINC001139527986 1035147827 /nfs/dbraw/zinc/14/78/27/1035147827.db2.gz KCCXHSSVFAJHRK-QGZVFWFLSA-N 1 2 354.429 2.952 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)cc1F ZINC001139527986 1035147834 /nfs/dbraw/zinc/14/78/34/1035147834.db2.gz KCCXHSSVFAJHRK-QGZVFWFLSA-N 1 2 354.429 2.952 20 30 FFEDLO C=CCn1cc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)cn1 ZINC001139771501 1035226676 /nfs/dbraw/zinc/22/66/76/1035226676.db2.gz FREQSXNNNDRMLG-ZHALLVOQSA-N 1 2 374.510 2.722 20 30 FFEDLO C=CCn1cc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)cn1 ZINC001139771501 1035226679 /nfs/dbraw/zinc/22/66/79/1035226679.db2.gz FREQSXNNNDRMLG-ZHALLVOQSA-N 1 2 374.510 2.722 20 30 FFEDLO CSc1ncc(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)c(N)n1 ZINC001140253867 1035401049 /nfs/dbraw/zinc/40/10/49/1035401049.db2.gz PMJHXSDEMVMXMS-MRXNPFEDSA-N 1 2 355.467 2.696 20 30 FFEDLO CSc1ncc(C[N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)c(N)n1 ZINC001140253867 1035401052 /nfs/dbraw/zinc/40/10/52/1035401052.db2.gz PMJHXSDEMVMXMS-MRXNPFEDSA-N 1 2 355.467 2.696 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C#N)nc2)Cc2ncn(CC3CC3)c21 ZINC001140541223 1035595284 /nfs/dbraw/zinc/59/52/84/1035595284.db2.gz ABVGMCVGQFCWOY-KRWDZBQOSA-N 1 2 351.454 2.696 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C#N)nc2)Cc2ncn(CC3CC3)c21 ZINC001140541223 1035595294 /nfs/dbraw/zinc/59/52/94/1035595294.db2.gz ABVGMCVGQFCWOY-KRWDZBQOSA-N 1 2 351.454 2.696 20 30 FFEDLO N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2ncccc2C(F)(F)F)C1=O ZINC001277253671 1035814998 /nfs/dbraw/zinc/81/49/98/1035814998.db2.gz FPLJIRSUMXVKQQ-QGZVFWFLSA-N 1 2 366.387 2.971 20 30 FFEDLO N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2ncccc2C(F)(F)F)C1=O ZINC001277253671 1035815015 /nfs/dbraw/zinc/81/50/15/1035815015.db2.gz FPLJIRSUMXVKQQ-QGZVFWFLSA-N 1 2 366.387 2.971 20 30 FFEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(C(=O)OCC)[nH]1)CCO2 ZINC001140686840 1035890723 /nfs/dbraw/zinc/89/07/23/1035890723.db2.gz SMFQBTBAPCWLTE-OXJNMPFZSA-N 1 2 362.470 2.765 20 30 FFEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(C(=O)OCC)[nH]1)CCO2 ZINC001140686840 1035890744 /nfs/dbraw/zinc/89/07/44/1035890744.db2.gz SMFQBTBAPCWLTE-OXJNMPFZSA-N 1 2 362.470 2.765 20 30 FFEDLO COC(=O)[C@H]1C[N@H+](Cc2cc(C#N)ccc2O)C[C@@H]1c1ccc(F)cc1 ZINC001232677366 1035937388 /nfs/dbraw/zinc/93/73/88/1035937388.db2.gz BOIGLDNHLQVPJY-MSOLQXFVSA-N 1 2 354.381 2.792 20 30 FFEDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(C#N)ccc2O)C[C@@H]1c1ccc(F)cc1 ZINC001232677366 1035937398 /nfs/dbraw/zinc/93/73/98/1035937398.db2.gz BOIGLDNHLQVPJY-MSOLQXFVSA-N 1 2 354.381 2.792 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(C(F)(F)F)o1)C2 ZINC001277734207 1036152688 /nfs/dbraw/zinc/15/26/88/1036152688.db2.gz IBHDRSAAHDALPM-QGZVFWFLSA-N 1 2 372.387 2.925 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(C(F)(F)F)o1)C2 ZINC001277734207 1036152696 /nfs/dbraw/zinc/15/26/96/1036152696.db2.gz IBHDRSAAHDALPM-QGZVFWFLSA-N 1 2 372.387 2.925 20 30 FFEDLO CCCCCCCC[C@@H](O)C[NH+]1CC2(C1)CN([C@H](C)CC)C(=O)CO2 ZINC001277735260 1036159310 /nfs/dbraw/zinc/15/93/10/1036159310.db2.gz RCUDULBZTLPMMV-QZTJIDSGSA-N 1 2 354.535 2.810 20 30 FFEDLO N#Cc1cccc(C[NH+]2CCC(N3CCCCS3(=O)=O)CC2)c1Cl ZINC001140814362 1036217169 /nfs/dbraw/zinc/21/71/69/1036217169.db2.gz IOHVJEJYIDLRSB-UHFFFAOYSA-N 1 2 367.902 2.602 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4ccncc4c3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228671226 1036244746 /nfs/dbraw/zinc/24/47/46/1036244746.db2.gz FHBOHUVNAKQMNZ-GNMIDJSNSA-N 1 2 361.239 2.989 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4ccncc4c3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228671226 1036244760 /nfs/dbraw/zinc/24/47/60/1036244760.db2.gz FHBOHUVNAKQMNZ-GNMIDJSNSA-N 1 2 361.239 2.989 20 30 FFEDLO Cc1c(C[NH+]2CC(Oc3ccccc3C#N)C2)c(=O)n(-c2ccccc2)n1C ZINC001140851547 1036282869 /nfs/dbraw/zinc/28/28/69/1036282869.db2.gz LAHSBQPDZNHQAL-UHFFFAOYSA-N 1 2 374.444 2.619 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)c(O)c1 ZINC001233385958 1036590477 /nfs/dbraw/zinc/59/04/77/1036590477.db2.gz ZONGRWPAHGZJPR-YTQUADARSA-N 1 2 369.396 2.609 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)c(O)c1 ZINC001233385958 1036590480 /nfs/dbraw/zinc/59/04/80/1036590480.db2.gz ZONGRWPAHGZJPR-YTQUADARSA-N 1 2 369.396 2.609 20 30 FFEDLO CC(=O)c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(C(N)=O)c1 ZINC001229336249 1036619812 /nfs/dbraw/zinc/61/98/12/1036619812.db2.gz RIHXHKUQWWQQCX-GOSISDBHSA-N 1 2 363.417 2.513 20 30 FFEDLO CC(=O)c1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(C(N)=O)c1 ZINC001229336249 1036619820 /nfs/dbraw/zinc/61/98/20/1036619820.db2.gz RIHXHKUQWWQQCX-GOSISDBHSA-N 1 2 363.417 2.513 20 30 FFEDLO C#CCOc1ccc(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000836610496 1036681107 /nfs/dbraw/zinc/68/11/07/1036681107.db2.gz FDSFRHHDEFTAQQ-UHFFFAOYSA-N 1 2 369.490 2.788 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000836614686 1036687127 /nfs/dbraw/zinc/68/71/27/1036687127.db2.gz DLDYFFLJEAGXTP-UXHICEINSA-N 1 2 372.513 2.754 20 30 FFEDLO CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C1)c1ccccc1 ZINC001206949780 1036969329 /nfs/dbraw/zinc/96/93/29/1036969329.db2.gz PGUWNWBHNJYUEX-IEBWSBKVSA-N 1 2 369.509 2.526 20 30 FFEDLO CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C1)c1ccccc1 ZINC001206949780 1036969342 /nfs/dbraw/zinc/96/93/42/1036969342.db2.gz PGUWNWBHNJYUEX-IEBWSBKVSA-N 1 2 369.509 2.526 20 30 FFEDLO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cccc4c3C(=O)C=C(C)C4=O)C[C@H]1[N@@H+]2C ZINC001229914261 1036975272 /nfs/dbraw/zinc/97/52/72/1036975272.db2.gz PEVVKMIMNFHDSY-BFIPOCKSSA-N 1 2 369.417 2.558 20 30 FFEDLO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cccc4c3C(=O)C=C(C)C4=O)C[C@H]1[N@H+]2C ZINC001229914261 1036975288 /nfs/dbraw/zinc/97/52/88/1036975288.db2.gz PEVVKMIMNFHDSY-BFIPOCKSSA-N 1 2 369.417 2.558 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C(F)(F)F)CCOCC2)C1 ZINC001206989322 1037030045 /nfs/dbraw/zinc/03/00/45/1037030045.db2.gz YSSYWHHOOGKCRY-ZYHUDNBSSA-N 1 2 354.800 2.535 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C(F)(F)F)CCOCC2)C1 ZINC001206989322 1037030057 /nfs/dbraw/zinc/03/00/57/1037030057.db2.gz YSSYWHHOOGKCRY-ZYHUDNBSSA-N 1 2 354.800 2.535 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1CC)c1ccc(F)c(F)c1 ZINC001234566581 1037090343 /nfs/dbraw/zinc/09/03/43/1037090343.db2.gz NWYPKSQMWJGDRK-YJBOKZPZSA-N 1 2 367.440 2.992 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC)c1ccc(F)c(F)c1 ZINC001234566581 1037090369 /nfs/dbraw/zinc/09/03/69/1037090369.db2.gz NWYPKSQMWJGDRK-YJBOKZPZSA-N 1 2 367.440 2.992 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NCC[N@H+]1CCOC[C@H]1CC)c1ccc(F)c(F)c1 ZINC001234566577 1037090407 /nfs/dbraw/zinc/09/04/07/1037090407.db2.gz NWYPKSQMWJGDRK-CRAIPNDOSA-N 1 2 367.440 2.992 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1CC)c1ccc(F)c(F)c1 ZINC001234566577 1037090423 /nfs/dbraw/zinc/09/04/23/1037090423.db2.gz NWYPKSQMWJGDRK-CRAIPNDOSA-N 1 2 367.440 2.992 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccco3)no2)C[C@H]1C ZINC001207158147 1037205122 /nfs/dbraw/zinc/20/51/22/1037205122.db2.gz IELNPYFGWNCPKD-ZIAGYGMSSA-N 1 2 358.442 2.868 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccco3)no2)C[C@H]1C ZINC001207158147 1037205132 /nfs/dbraw/zinc/20/51/32/1037205132.db2.gz IELNPYFGWNCPKD-ZIAGYGMSSA-N 1 2 358.442 2.868 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CC(Oc3ccccc3C#N)C2)C1 ZINC001207216569 1037255206 /nfs/dbraw/zinc/25/52/06/1037255206.db2.gz IOMJIWSCARTZBB-OAHLLOKOSA-N 1 2 357.454 2.878 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)CCCCN2c1nc(NC2CC2)c(C)c[nH+]1 ZINC001277925520 1037379810 /nfs/dbraw/zinc/37/98/10/1037379810.db2.gz GUZRXLCNYXPFOM-HXUWFJFHSA-N 1 2 355.486 2.897 20 30 FFEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1ccccc1CC#N)C2 ZINC001235515299 1037600686 /nfs/dbraw/zinc/60/06/86/1037600686.db2.gz AEAWWKSRAHSVQH-UHFFFAOYSA-N 1 2 352.486 2.590 20 30 FFEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1ccccc1CC#N)C2 ZINC001235515299 1037600691 /nfs/dbraw/zinc/60/06/91/1037600691.db2.gz AEAWWKSRAHSVQH-UHFFFAOYSA-N 1 2 352.486 2.590 20 30 FFEDLO COc1cc(C#N)ccc1CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC001231617130 1037735025 /nfs/dbraw/zinc/73/50/25/1037735025.db2.gz XXRJEDDDWPYIDA-UHFFFAOYSA-N 1 2 365.433 2.613 20 30 FFEDLO COc1cc(C#N)ccc1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC001231617130 1037735041 /nfs/dbraw/zinc/73/50/41/1037735041.db2.gz XXRJEDDDWPYIDA-UHFFFAOYSA-N 1 2 365.433 2.613 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(F)c(OC(C)C)c2F)C1=O ZINC001277567258 1037914663 /nfs/dbraw/zinc/91/46/63/1037914663.db2.gz OLFNQJJAQWTMTH-HXUWFJFHSA-N 1 2 362.420 2.952 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(F)c(OC(C)C)c2F)C1=O ZINC001277567258 1037914671 /nfs/dbraw/zinc/91/46/71/1037914671.db2.gz OLFNQJJAQWTMTH-HXUWFJFHSA-N 1 2 362.420 2.952 20 30 FFEDLO C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3ccc(F)c(O)c3F)C2)C1=O ZINC001277992133 1038168907 /nfs/dbraw/zinc/16/89/07/1038168907.db2.gz DLPHAZSIOGOAEB-IBGZPJMESA-N 1 2 364.392 2.588 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCC[C@@]23CCN(Cc2cnoc2)C3=O)c(C#N)c1 ZINC001278005234 1038236470 /nfs/dbraw/zinc/23/64/70/1038236470.db2.gz DWXYNSNNKLQKGX-FQEVSTJZSA-N 1 2 350.422 2.622 20 30 FFEDLO Cc1ccc(C[N@H+]2CCC[C@@]23CCN(Cc2cnoc2)C3=O)c(C#N)c1 ZINC001278005234 1038236479 /nfs/dbraw/zinc/23/64/79/1038236479.db2.gz DWXYNSNNKLQKGX-FQEVSTJZSA-N 1 2 350.422 2.622 20 30 FFEDLO C=CCOC(=O)N1CCN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236919234 1038355697 /nfs/dbraw/zinc/35/56/97/1038355697.db2.gz MWUKYYOWICZYFD-UHFFFAOYSA-N 1 2 360.845 2.966 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)c1Cl ZINC001208525298 1038384697 /nfs/dbraw/zinc/38/46/97/1038384697.db2.gz NPTSXJWOBKAANI-UHFFFAOYSA-N 1 2 372.837 2.876 20 30 FFEDLO CCCC[N@H+](CCC#N)[C@H]1C[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 ZINC001256272606 1038461253 /nfs/dbraw/zinc/46/12/53/1038461253.db2.gz CSEVXNNDBYEBQJ-LSDHHAIUSA-N 1 2 353.463 2.553 20 30 FFEDLO CCCC[N@@H+](CCC#N)[C@H]1C[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 ZINC001256272606 1038461259 /nfs/dbraw/zinc/46/12/59/1038461259.db2.gz CSEVXNNDBYEBQJ-LSDHHAIUSA-N 1 2 353.463 2.553 20 30 FFEDLO Cc1noc(C)c1NC(=O)N1CC2(C1)C[NH+](Cc1ccc(C#N)s1)C2 ZINC001278926107 1038467813 /nfs/dbraw/zinc/46/78/13/1038467813.db2.gz ZFHMMRYIXOQVSK-UHFFFAOYSA-N 1 2 357.439 2.574 20 30 FFEDLO C=CCN(CC[N@@H+]1CCC[C@@H]2[C@H]1CN2C(=O)OC(C)(C)C)C(=O)OCC ZINC001209019381 1038636354 /nfs/dbraw/zinc/63/63/54/1038636354.db2.gz MUASBSLXPGNHCX-HZPDHXFCSA-N 1 2 367.490 2.715 20 30 FFEDLO C=CCN(CC[N@H+]1CCC[C@@H]2[C@H]1CN2C(=O)OC(C)(C)C)C(=O)OCC ZINC001209019381 1038636356 /nfs/dbraw/zinc/63/63/56/1038636356.db2.gz MUASBSLXPGNHCX-HZPDHXFCSA-N 1 2 367.490 2.715 20 30 FFEDLO CCOC(=O)C1(C(=O)OCC)CCC([NH2+][C@@](C)(C#N)CC(C)C)CC1 ZINC001256999610 1038675844 /nfs/dbraw/zinc/67/58/44/1038675844.db2.gz RICOMIFRNUVMLG-GOSISDBHSA-N 1 2 352.475 2.960 20 30 FFEDLO CC(C)CNC(=O)[C@@H]1CC12CC[NH+](CC(=O)c1ccc(C#N)cc1)CC2 ZINC001276628219 1038737539 /nfs/dbraw/zinc/73/75/39/1038737539.db2.gz WMPJGSKYRWYOOB-SFHVURJKSA-N 1 2 353.466 2.615 20 30 FFEDLO C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4ccc(F)cc4C#N)nc3c2)CC1 ZINC001250935546 1038830779 /nfs/dbraw/zinc/83/07/79/1038830779.db2.gz KVSBPUDEIMQHNO-UHFFFAOYSA-N 1 2 363.396 2.628 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1c[nH]c2c1cccc2C ZINC001209481832 1038916791 /nfs/dbraw/zinc/91/67/91/1038916791.db2.gz BYNKOXKGNHWMDL-SFHVURJKSA-N 1 2 351.454 2.907 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1c[nH]c2c1cccc2C ZINC001209481832 1038916808 /nfs/dbraw/zinc/91/68/08/1038916808.db2.gz BYNKOXKGNHWMDL-SFHVURJKSA-N 1 2 351.454 2.907 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1c3ccccc3nn1C)CCC2 ZINC001209532394 1038964535 /nfs/dbraw/zinc/96/45/35/1038964535.db2.gz NDNDBPSGBAQVSZ-UHFFFAOYSA-N 1 2 351.454 2.878 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1c3ccccc3nn1C)CCC2 ZINC001209532394 1038964553 /nfs/dbraw/zinc/96/45/53/1038964553.db2.gz NDNDBPSGBAQVSZ-UHFFFAOYSA-N 1 2 351.454 2.878 20 30 FFEDLO Cc1[nH]ncc1C[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001209556336 1038990111 /nfs/dbraw/zinc/99/01/11/1038990111.db2.gz VBPCQBXPYKVUTE-OAQYLSRUSA-N 1 2 365.481 2.709 20 30 FFEDLO Cc1[nH]ncc1C[N@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001209556336 1038990131 /nfs/dbraw/zinc/99/01/31/1038990131.db2.gz VBPCQBXPYKVUTE-OAQYLSRUSA-N 1 2 365.481 2.709 20 30 FFEDLO C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4ccccc4CC#N)nc3c2)CC1 ZINC001251427094 1039125354 /nfs/dbraw/zinc/12/53/54/1039125354.db2.gz OCWDAYMVGCBATE-UHFFFAOYSA-N 1 2 359.433 2.684 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cc3c(c(OC)c1)OCO3)CCC2 ZINC001209712601 1039149208 /nfs/dbraw/zinc/14/92/08/1039149208.db2.gz POCLGPSUAQFBSF-UHFFFAOYSA-N 1 2 371.437 2.729 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cc3c(c(OC)c1)OCO3)CCC2 ZINC001209712601 1039149213 /nfs/dbraw/zinc/14/92/13/1039149213.db2.gz POCLGPSUAQFBSF-UHFFFAOYSA-N 1 2 371.437 2.729 20 30 FFEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3cc(C)ccc3s2)C1 ZINC001209958041 1039307331 /nfs/dbraw/zinc/30/73/31/1039307331.db2.gz PTARZPPJVQXBAC-GDBMZVCRSA-N 1 2 371.506 2.562 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3cc(C)ccc3s2)C1 ZINC001209958041 1039307350 /nfs/dbraw/zinc/30/73/50/1039307350.db2.gz PTARZPPJVQXBAC-GDBMZVCRSA-N 1 2 371.506 2.562 20 30 FFEDLO C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4cccc(C#N)c4F)nc3c2)CC1 ZINC001251841750 1039319895 /nfs/dbraw/zinc/31/98/95/1039319895.db2.gz BNTFYWKGUKVYRR-UHFFFAOYSA-N 1 2 363.396 2.628 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CCCC(F)(F)F)cc1F ZINC001278638431 1039359425 /nfs/dbraw/zinc/35/94/25/1039359425.db2.gz WRDJVSMXRZAZCU-IYBDPMFKSA-N 1 2 371.378 2.925 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CCCC(F)(F)F)cc1F ZINC001278638431 1039359436 /nfs/dbraw/zinc/35/94/36/1039359436.db2.gz WRDJVSMXRZAZCU-IYBDPMFKSA-N 1 2 371.378 2.925 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1Cc1c[nH]c2cc(Cl)cc(Br)c12 ZINC001210121109 1039392333 /nfs/dbraw/zinc/39/23/33/1039392333.db2.gz KFVWQCBIVZDHEN-NSHDSACASA-N 1 2 353.651 2.881 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1Cc1cc(C(F)(F)F)c(Br)cc1F ZINC001210121485 1039392679 /nfs/dbraw/zinc/39/26/79/1039392679.db2.gz LZRYOVZELYXQLC-SECBINFHSA-N 1 2 366.156 2.904 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1Cc1c(F)ccc(C(F)(F)F)c1Br ZINC001210196533 1039426158 /nfs/dbraw/zinc/42/61/58/1039426158.db2.gz OQOVKEKCKRPYMD-QMMMGPOBSA-N 1 2 366.156 2.904 20 30 FFEDLO C=C[C@](C)(O)CNc1ccc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)[nH+]c1 ZINC001252546057 1039591428 /nfs/dbraw/zinc/59/14/28/1039591428.db2.gz UEOFGENKHFWMNQ-BEFAXECRSA-N 1 2 362.474 2.534 20 30 FFEDLO N#CC1(NS(=O)(=O)Cc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC001252922800 1039799085 /nfs/dbraw/zinc/79/90/85/1039799085.db2.gz PVUBXTUMHCFEMT-UHFFFAOYSA-N 1 2 369.490 2.664 20 30 FFEDLO CC(=O)OC[C@H]([NH3+])c1nc(-c2ccc(Oc3ccc(C#N)cc3)cc2)no1 ZINC001247695296 1039898752 /nfs/dbraw/zinc/89/87/52/1039898752.db2.gz OLZKSYRULWVGDD-KRWDZBQOSA-N 1 2 364.361 2.963 20 30 FFEDLO C=CCCCNC(=S)N1Cc2c[nH+]cn2C[C@H](COc2ccccn2)C1 ZINC001247729225 1039919736 /nfs/dbraw/zinc/91/97/36/1039919736.db2.gz GFESMBGLBWFYCE-MRXNPFEDSA-N 1 2 371.510 2.630 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001211217641 1040002601 /nfs/dbraw/zinc/00/26/01/1040002601.db2.gz BOSVGVXZSWUPSE-YFVAEKQCSA-N 1 2 366.509 2.792 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001211217641 1040002618 /nfs/dbraw/zinc/00/26/18/1040002618.db2.gz BOSVGVXZSWUPSE-YFVAEKQCSA-N 1 2 366.509 2.792 20 30 FFEDLO Cc1cc(-c2noc(C[C@H]([NH3+])C(=O)OCc3ccccc3)n2)ccc1C#N ZINC001247966679 1040080606 /nfs/dbraw/zinc/08/06/06/1040080606.db2.gz CQRUZJGZQOQKHG-KRWDZBQOSA-N 1 2 362.389 2.530 20 30 FFEDLO C=CCn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ccsc2)cn1 ZINC001278710107 1040103424 /nfs/dbraw/zinc/10/34/24/1040103424.db2.gz ZCZUBTGCBAAANA-HDICACEKSA-N 1 2 356.495 2.549 20 30 FFEDLO C=CCn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ccsc2)cn1 ZINC001278710107 1040103430 /nfs/dbraw/zinc/10/34/30/1040103430.db2.gz ZCZUBTGCBAAANA-HDICACEKSA-N 1 2 356.495 2.549 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001211420641 1040180634 /nfs/dbraw/zinc/18/06/34/1040180634.db2.gz OUUSHVIDSBTMPX-VQIMIIECSA-N 1 2 360.885 2.721 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001211420641 1040180642 /nfs/dbraw/zinc/18/06/42/1040180642.db2.gz OUUSHVIDSBTMPX-VQIMIIECSA-N 1 2 360.885 2.721 20 30 FFEDLO C#CC[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1C)c1ccccc1 ZINC001211473696 1040238228 /nfs/dbraw/zinc/23/82/28/1040238228.db2.gz YBACZPDJSLFDQJ-MISYRCLQSA-N 1 2 364.493 2.554 20 30 FFEDLO C#CC[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1C)c1ccccc1 ZINC001211473696 1040238245 /nfs/dbraw/zinc/23/82/45/1040238245.db2.gz YBACZPDJSLFDQJ-MISYRCLQSA-N 1 2 364.493 2.554 20 30 FFEDLO N#Cc1ccc(CS(=O)(=O)Nc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC001260044379 1040374776 /nfs/dbraw/zinc/37/47/76/1040374776.db2.gz RTAKHYHRGSCIMP-UHFFFAOYSA-N 1 2 352.419 2.745 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccc2Cl)C[C@H]1OC ZINC001213268491 1040393273 /nfs/dbraw/zinc/39/32/73/1040393273.db2.gz LLZLSOGUUWNKRW-IAGOWNOFSA-N 1 2 366.889 2.876 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccc2Cl)C[C@H]1OC ZINC001213268491 1040393288 /nfs/dbraw/zinc/39/32/88/1040393288.db2.gz LLZLSOGUUWNKRW-IAGOWNOFSA-N 1 2 366.889 2.876 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001213269356 1040393730 /nfs/dbraw/zinc/39/37/30/1040393730.db2.gz MJHGAQORHADSKA-WOJBJXKFSA-N 1 2 371.456 2.596 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001213269356 1040393739 /nfs/dbraw/zinc/39/37/39/1040393739.db2.gz MJHGAQORHADSKA-WOJBJXKFSA-N 1 2 371.456 2.596 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2OC)CCC1 ZINC001213307702 1040430033 /nfs/dbraw/zinc/43/00/33/1040430033.db2.gz LGVBILRTQCCECY-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2OC)CCC1 ZINC001213307702 1040430039 /nfs/dbraw/zinc/43/00/39/1040430039.db2.gz LGVBILRTQCCECY-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1OC ZINC001213320510 1040446788 /nfs/dbraw/zinc/44/67/88/1040446788.db2.gz YMIVYIIBIFXVGJ-MORSLUCNSA-N 1 2 352.425 2.883 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1OC ZINC001213320510 1040446799 /nfs/dbraw/zinc/44/67/99/1040446799.db2.gz YMIVYIIBIFXVGJ-MORSLUCNSA-N 1 2 352.425 2.883 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1OC ZINC001213322631 1040450992 /nfs/dbraw/zinc/45/09/92/1040450992.db2.gz MANYMXKHGLPGNM-CGTJXYLNSA-N 1 2 362.518 2.556 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1OC ZINC001213322631 1040451002 /nfs/dbraw/zinc/45/10/02/1040451002.db2.gz MANYMXKHGLPGNM-CGTJXYLNSA-N 1 2 362.518 2.556 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2OC)CCC1 ZINC001213385933 1040498409 /nfs/dbraw/zinc/49/84/09/1040498409.db2.gz YBDDJPHHYRYZFC-RTBURBONSA-N 1 2 371.456 2.759 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2OC)CCC1 ZINC001213385933 1040498416 /nfs/dbraw/zinc/49/84/16/1040498416.db2.gz YBDDJPHHYRYZFC-RTBURBONSA-N 1 2 371.456 2.759 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1OC ZINC001213776701 1040895142 /nfs/dbraw/zinc/89/51/42/1040895142.db2.gz KATAPBFASGLGQC-RTBURBONSA-N 1 2 364.534 2.876 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1OC ZINC001213776701 1040895150 /nfs/dbraw/zinc/89/51/50/1040895150.db2.gz KATAPBFASGLGQC-RTBURBONSA-N 1 2 364.534 2.876 20 30 FFEDLO C[N@@H+](Cc1cccc(C#N)c1F)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001249671995 1040927023 /nfs/dbraw/zinc/92/70/23/1040927023.db2.gz JMXFULFOEXVPPJ-INIZCTEOSA-N 1 2 363.433 2.765 20 30 FFEDLO C[N@H+](Cc1cccc(C#N)c1F)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001249671995 1040927040 /nfs/dbraw/zinc/92/70/40/1040927040.db2.gz JMXFULFOEXVPPJ-INIZCTEOSA-N 1 2 363.433 2.765 20 30 FFEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)C(=O)OCC ZINC001254896178 1041034983 /nfs/dbraw/zinc/03/49/83/1041034983.db2.gz QNGHGEQZJKWCMY-HWEQFAERSA-N 1 2 364.486 2.729 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1OC)c1ccccc1 ZINC001213896146 1041039980 /nfs/dbraw/zinc/03/99/80/1041039980.db2.gz WAVHLYKWXNJXGE-QWFCFKBJSA-N 1 2 369.465 2.658 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1OC)c1ccccc1 ZINC001213896146 1041039991 /nfs/dbraw/zinc/03/99/91/1041039991.db2.gz WAVHLYKWXNJXGE-QWFCFKBJSA-N 1 2 369.465 2.658 20 30 FFEDLO CC[C@H](CC#N)[NH2+][C@H]1CCc2ccccc2N(CC(=O)OC(C)(C)C)C1=O ZINC001255157020 1041175557 /nfs/dbraw/zinc/17/55/57/1041175557.db2.gz WKYPLAVZWDBCAZ-SJORKVTESA-N 1 2 371.481 2.958 20 30 FFEDLO CCOC(=O)c1cc(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)nn1C ZINC001250548507 1041243527 /nfs/dbraw/zinc/24/35/27/1041243527.db2.gz MRAUIOIUQBGMTB-SFHVURJKSA-N 1 2 368.437 2.512 20 30 FFEDLO CCOC(=O)c1cc(C[N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)nn1C ZINC001250548507 1041243540 /nfs/dbraw/zinc/24/35/40/1041243540.db2.gz MRAUIOIUQBGMTB-SFHVURJKSA-N 1 2 368.437 2.512 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2noc(-c3ccccc3C)n2)C1 ZINC001214305399 1041368586 /nfs/dbraw/zinc/36/85/86/1041368586.db2.gz BGQXZGBSFMYJRY-NVXWUHKLSA-N 1 2 354.454 2.948 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncsc2Br)C1 ZINC001214526970 1041467757 /nfs/dbraw/zinc/46/77/57/1041467757.db2.gz BLQMLLKQPNJFJA-DGCLKSJQSA-N 1 2 370.316 2.646 20 30 FFEDLO C=CCn1cnn(C[N@H+]2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1=S ZINC001262482880 1041700694 /nfs/dbraw/zinc/70/06/94/1041700694.db2.gz OUHTTXBPPLEPSD-CQSZACIVSA-N 1 2 367.519 2.794 20 30 FFEDLO C=CCn1cnn(C[N@@H+]2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1=S ZINC001262482880 1041700702 /nfs/dbraw/zinc/70/07/02/1041700702.db2.gz OUHTTXBPPLEPSD-CQSZACIVSA-N 1 2 367.519 2.794 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1cc(OC(C)C)ccc1C)C2 ZINC001276734406 1041940986 /nfs/dbraw/zinc/94/09/86/1041940986.db2.gz YFLONFFKVFWCLN-UHFFFAOYSA-N 1 2 358.482 2.772 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1Cc2ccc(OC)cc2C1 ZINC001263287443 1042222607 /nfs/dbraw/zinc/22/26/07/1042222607.db2.gz IMAXJLSGQFJTPT-UHFFFAOYSA-N 1 2 353.470 2.979 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCc2sccc2C1 ZINC001263288542 1042223654 /nfs/dbraw/zinc/22/36/54/1042223654.db2.gz VVKBXSRWLKBIDA-UHFFFAOYSA-N 1 2 354.483 2.803 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](Cc2cscn2)C[C@H]1c1ccccc1 ZINC001263887052 1042511535 /nfs/dbraw/zinc/51/15/35/1042511535.db2.gz HMEVQOBLJANKEO-RBUKOAKNSA-N 1 2 371.506 2.820 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2cscn2)C[C@H]1c1ccccc1 ZINC001263887052 1042511540 /nfs/dbraw/zinc/51/15/40/1042511540.db2.gz HMEVQOBLJANKEO-RBUKOAKNSA-N 1 2 371.506 2.820 20 30 FFEDLO C[NH+](C)Cc1nc(CNC(=O)c2c(Cl)cc(C#N)cc2Cl)co1 ZINC001263957159 1042551080 /nfs/dbraw/zinc/55/10/80/1042551080.db2.gz YLUAKFJLULNJKT-UHFFFAOYSA-N 1 2 353.209 2.845 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2sccc2Br)[C@@H]1C ZINC001264135952 1042631462 /nfs/dbraw/zinc/63/14/62/1042631462.db2.gz XPDNOJKLIMMSJO-FOGDFJRCSA-N 1 2 356.289 2.749 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2sccc2Br)[C@@H]1C ZINC001264135952 1042631463 /nfs/dbraw/zinc/63/14/63/1042631463.db2.gz XPDNOJKLIMMSJO-FOGDFJRCSA-N 1 2 356.289 2.749 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@@H+](Cc2csc(CCC)n2)[C@@H]1C ZINC001264137999 1042632800 /nfs/dbraw/zinc/63/28/00/1042632800.db2.gz HTNQXHMSEIALER-XUWXXGDYSA-N 1 2 351.516 2.502 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](Cc2csc(CCC)n2)[C@@H]1C ZINC001264137999 1042632802 /nfs/dbraw/zinc/63/28/02/1042632802.db2.gz HTNQXHMSEIALER-XUWXXGDYSA-N 1 2 351.516 2.502 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2c2ccccc2)CCCC1 ZINC001264592720 1042730200 /nfs/dbraw/zinc/73/02/00/1042730200.db2.gz QBZGBATWRJSRNI-RTBURBONSA-N 1 2 369.509 2.583 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2c2ccccc2)CCCC1 ZINC001264592720 1042730205 /nfs/dbraw/zinc/73/02/05/1042730205.db2.gz QBZGBATWRJSRNI-RTBURBONSA-N 1 2 369.509 2.583 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](Cc2nnc3n2CCCCC3)[C@@H]1CC ZINC001264608687 1042741638 /nfs/dbraw/zinc/74/16/38/1042741638.db2.gz OLPWNNBGYSIIAA-DLBZAZTESA-N 1 2 359.518 2.830 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2nnc3n2CCCCC3)[C@@H]1CC ZINC001264608687 1042741641 /nfs/dbraw/zinc/74/16/41/1042741641.db2.gz OLPWNNBGYSIIAA-DLBZAZTESA-N 1 2 359.518 2.830 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2c(F)cccc2F)C3)cc1C#N ZINC001279211315 1042946506 /nfs/dbraw/zinc/94/65/06/1042946506.db2.gz YPBIIWDQLLNXHK-WBVHZDCISA-N 1 2 356.420 2.881 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2c(F)cccc2F)C3)cc1C#N ZINC001279211315 1042946511 /nfs/dbraw/zinc/94/65/11/1042946511.db2.gz YPBIIWDQLLNXHK-WBVHZDCISA-N 1 2 356.420 2.881 20 30 FFEDLO N#Cc1cc(F)c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc[nH]2)c(F)c1 ZINC001279435721 1043110995 /nfs/dbraw/zinc/11/09/95/1043110995.db2.gz NOZQQFDAUCIXQL-GASCZTMLSA-N 1 2 356.376 2.654 20 30 FFEDLO N#Cc1cc(F)c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc[nH]2)c(F)c1 ZINC001279435721 1043110996 /nfs/dbraw/zinc/11/09/96/1043110996.db2.gz NOZQQFDAUCIXQL-GASCZTMLSA-N 1 2 356.376 2.654 20 30 FFEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3cnccc3Br)CC2)nc1 ZINC001237382357 1043129151 /nfs/dbraw/zinc/12/91/51/1043129151.db2.gz OJTDRQDGMWVNPD-UHFFFAOYSA-N 1 2 372.270 2.823 20 30 FFEDLO N#Cc1ccc(N2CCC[N@H+](Cc3cnccc3Br)CC2)nc1 ZINC001237382357 1043129154 /nfs/dbraw/zinc/12/91/54/1043129154.db2.gz OJTDRQDGMWVNPD-UHFFFAOYSA-N 1 2 372.270 2.823 20 30 FFEDLO CC1=CCC=C[C@H]1C(=O)N1CC2(C1)CCC[N@H+](Cc1[nH]ccc1C#N)C2 ZINC001279685906 1043467659 /nfs/dbraw/zinc/46/76/59/1043467659.db2.gz JABWTKXHJYDWFD-GOSISDBHSA-N 1 2 350.466 2.833 20 30 FFEDLO CC1=CCC=C[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](Cc1[nH]ccc1C#N)C2 ZINC001279685906 1043467668 /nfs/dbraw/zinc/46/76/68/1043467668.db2.gz JABWTKXHJYDWFD-GOSISDBHSA-N 1 2 350.466 2.833 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCc3onc(C(=O)NC4(C#N)CCC4)c3C2)s1 ZINC001279780653 1043629780 /nfs/dbraw/zinc/62/97/80/1043629780.db2.gz SKMZCYGNLLDOAC-UHFFFAOYSA-N 1 2 356.451 2.779 20 30 FFEDLO Cc1ccc(C[N@H+]2CCc3onc(C(=O)NC4(C#N)CCC4)c3C2)s1 ZINC001279780653 1043629784 /nfs/dbraw/zinc/62/97/84/1043629784.db2.gz SKMZCYGNLLDOAC-UHFFFAOYSA-N 1 2 356.451 2.779 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)Nc4ccccc4Cl)C3)C2)cc1C#N ZINC001279801730 1043668292 /nfs/dbraw/zinc/66/82/92/1043668292.db2.gz SVRROVIAPCLZQU-UHFFFAOYSA-N 1 2 369.856 2.900 20 30 FFEDLO C=CCCCCCCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)NCCS(C)(=O)=O ZINC001279836473 1043747636 /nfs/dbraw/zinc/74/76/36/1043747636.db2.gz CPEQYOQLAXZXDA-MJGOQNOKSA-N 1 2 370.559 2.528 20 30 FFEDLO C=CCCCCCCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)NCCS(C)(=O)=O ZINC001279836473 1043747645 /nfs/dbraw/zinc/74/76/45/1043747645.db2.gz CPEQYOQLAXZXDA-MJGOQNOKSA-N 1 2 370.559 2.528 20 30 FFEDLO N#Cc1c2c(sc1NC(=O)[C@H]1CC13C[NH+](Cc1cn[nH]c1)C3)CCCC2 ZINC001279918634 1043921928 /nfs/dbraw/zinc/92/19/28/1043921928.db2.gz UXDGBCJQYSNTPG-OAHLLOKOSA-N 1 2 367.478 2.682 20 30 FFEDLO CCCCCCCCNC(=S)N1CC[C@H]2C[N@H+](COCCOC)C[C@H]21 ZINC001279925648 1043929996 /nfs/dbraw/zinc/92/99/96/1043929996.db2.gz RRRMNSVHQAJAKG-ZWKOTPCHSA-N 1 2 371.591 2.848 20 30 FFEDLO CCCCCCCCNC(=S)N1CC[C@H]2C[N@@H+](COCCOC)C[C@H]21 ZINC001279925648 1043930002 /nfs/dbraw/zinc/93/00/02/1043930002.db2.gz RRRMNSVHQAJAKG-ZWKOTPCHSA-N 1 2 371.591 2.848 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCc3nc(C(=O)NC4(C#N)CCC4)ccc3C2)o1 ZINC001279936912 1043949050 /nfs/dbraw/zinc/94/90/50/1043949050.db2.gz UIQXZLJJELQZEP-UHFFFAOYSA-N 1 2 350.422 2.717 20 30 FFEDLO Cc1ccc(C[N@H+]2CCc3nc(C(=O)NC4(C#N)CCC4)ccc3C2)o1 ZINC001279936912 1043949061 /nfs/dbraw/zinc/94/90/61/1043949061.db2.gz UIQXZLJJELQZEP-UHFFFAOYSA-N 1 2 350.422 2.717 20 30 FFEDLO Cc1ccc(C#N)c(NC(=O)[C@H]2CCSC23C[NH+](Cc2cnco2)C3)c1 ZINC001280044321 1044128973 /nfs/dbraw/zinc/12/89/73/1044128973.db2.gz FCNVUWHHGOCOEL-MRXNPFEDSA-N 1 2 368.462 2.801 20 30 FFEDLO CC(C)(C)NC(=O)[C@@H]1CCC2(C[NH+](CCCc3cccc(C#N)c3)C2)O1 ZINC001280059734 1044150946 /nfs/dbraw/zinc/15/09/46/1044150946.db2.gz XKHFLLHEPPFDHY-SFHVURJKSA-N 1 2 355.482 2.639 20 30 FFEDLO CC(C)(C)NC(=O)[C@@H]1CC12C[NH+](Cc1sc(N)c(C#N)c1Cl)C2 ZINC001280076985 1044175426 /nfs/dbraw/zinc/17/54/26/1044175426.db2.gz MKBZVAXOZKWCQK-JTQLQIEISA-N 1 2 352.891 2.592 20 30 FFEDLO C#CCN(C(=O)N[C@@H](CC)C[NH+]1CCOCC1)[C@@H]1CCCc2ccccc21 ZINC001313316641 1044311737 /nfs/dbraw/zinc/31/17/37/1044311737.db2.gz BBCRRXUXVXPQQV-PZJWPPBQSA-N 1 2 369.509 2.820 20 30 FFEDLO CCc1nnc(-c2ccc(OCC[NH+]3CCOCC3)cc2)c(C#N)c1CC ZINC001240449974 1044346337 /nfs/dbraw/zinc/34/63/37/1044346337.db2.gz OROGAKJEJIOAJF-UHFFFAOYSA-N 1 2 366.465 2.851 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001280929024 1044774121 /nfs/dbraw/zinc/77/41/21/1044774121.db2.gz RMYXZBDPWCYOQB-BZUAXINKSA-N 1 2 360.502 2.763 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001280929024 1044774134 /nfs/dbraw/zinc/77/41/34/1044774134.db2.gz RMYXZBDPWCYOQB-BZUAXINKSA-N 1 2 360.502 2.763 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H]1C)C1CC1 ZINC001316781127 1044946362 /nfs/dbraw/zinc/94/63/62/1044946362.db2.gz HXWGDPRBXPNOGB-CCKFTAQKSA-N 1 2 360.885 2.696 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1C)C1CC1 ZINC001316781127 1044946372 /nfs/dbraw/zinc/94/63/72/1044946372.db2.gz HXWGDPRBXPNOGB-CCKFTAQKSA-N 1 2 360.885 2.696 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nc(C)c3ccccc3n2)[C@@H]1C ZINC001316781632 1044948635 /nfs/dbraw/zinc/94/86/35/1044948635.db2.gz RYOXVGQRKCOZJH-AEFFLSMTSA-N 1 2 350.466 2.821 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(C)c3ccccc3n2)[C@@H]1C ZINC001316781632 1044948648 /nfs/dbraw/zinc/94/86/48/1044948648.db2.gz RYOXVGQRKCOZJH-AEFFLSMTSA-N 1 2 350.466 2.821 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001281761908 1045085580 /nfs/dbraw/zinc/08/55/80/1045085580.db2.gz GQABUBOZHSHQML-RHSMWYFYSA-N 1 2 368.481 2.822 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC)CC1 ZINC001539436512 1070637866 /nfs/dbraw/zinc/63/78/66/1070637866.db2.gz VHIWROZNFBFFAK-UHFFFAOYSA-N 1 2 361.852 2.903 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(F)cc2)CC1 ZINC001539430891 1070636794 /nfs/dbraw/zinc/63/67/94/1070636794.db2.gz NKSZXDJASQEEBJ-INIZCTEOSA-N 1 2 355.461 2.734 20 30 FFEDLO C#CCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC001319774431 1045268407 /nfs/dbraw/zinc/26/84/07/1045268407.db2.gz XVWWHTXXNHUGSY-KRWDZBQOSA-N 1 2 364.445 2.826 20 30 FFEDLO C#CCOCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC001319774431 1045268411 /nfs/dbraw/zinc/26/84/11/1045268411.db2.gz XVWWHTXXNHUGSY-KRWDZBQOSA-N 1 2 364.445 2.826 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCC[C@@H]2CC)CC1 ZINC001539453702 1070641665 /nfs/dbraw/zinc/64/16/65/1070641665.db2.gz CEIFYAITOSMAFH-OALUTQOASA-N 1 2 355.530 2.812 20 30 FFEDLO C#CC[N@H+](CC1CC1)Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC001320716466 1045454534 /nfs/dbraw/zinc/45/45/34/1045454534.db2.gz GUSNQUAAMUOFQJ-UHFFFAOYSA-N 1 2 353.191 2.799 20 30 FFEDLO C#CC[N@@H+](CC1CC1)Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC001320716466 1045454537 /nfs/dbraw/zinc/45/45/37/1045454537.db2.gz GUSNQUAAMUOFQJ-UHFFFAOYSA-N 1 2 353.191 2.799 20 30 FFEDLO C=CCO[C@@H]1CCN(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC001323758159 1045714218 /nfs/dbraw/zinc/71/42/18/1045714218.db2.gz VZEYWIOXMYUHOK-QFBILLFUSA-N 1 2 359.470 2.889 20 30 FFEDLO C=C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001539849657 1070712127 /nfs/dbraw/zinc/71/21/27/1070712127.db2.gz ZRLDBDGDWJZDKA-QGZVFWFLSA-N 1 2 361.534 2.744 20 30 FFEDLO C=CCC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C3)CCC1 ZINC001282728036 1046133268 /nfs/dbraw/zinc/13/32/68/1046133268.db2.gz GXAVXEPJMKVBDK-MLHJIOFPSA-N 1 2 370.497 2.829 20 30 FFEDLO Cc1cc(N2CCN(C(=O)c3csc(C#N)c3)CC2)nc(C(C)C)[nH+]1 ZINC001324629961 1046136439 /nfs/dbraw/zinc/13/64/39/1046136439.db2.gz MSMRFJYRHKHMPJ-UHFFFAOYSA-N 1 2 355.467 2.804 20 30 FFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC001324829413 1046246006 /nfs/dbraw/zinc/24/60/06/1046246006.db2.gz UTZDMCSHNJWBMZ-APWZRJJASA-N 1 2 363.465 2.943 20 30 FFEDLO C#CCCOc1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001325181204 1046407315 /nfs/dbraw/zinc/40/73/15/1046407315.db2.gz SEGQHKPJBQGOEA-KRWDZBQOSA-N 1 2 351.450 2.917 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001284186489 1046491539 /nfs/dbraw/zinc/49/15/39/1046491539.db2.gz ONXOGIBVCCBBOX-QDIHITRGSA-N 1 2 358.486 2.659 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001284186489 1046491547 /nfs/dbraw/zinc/49/15/47/1046491547.db2.gz ONXOGIBVCCBBOX-QDIHITRGSA-N 1 2 358.486 2.659 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001285992769 1046981543 /nfs/dbraw/zinc/98/15/43/1046981543.db2.gz YISQEISFWMIMFM-ZOCZFRKYSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001285992769 1046981549 /nfs/dbraw/zinc/98/15/49/1046981549.db2.gz YISQEISFWMIMFM-ZOCZFRKYSA-N 1 2 370.497 2.567 20 30 FFEDLO C#CCCCn1c(C)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001286337348 1047077735 /nfs/dbraw/zinc/07/77/35/1047077735.db2.gz DYWFOPGOQUAOEJ-UHFFFAOYSA-N 1 2 357.889 2.976 20 30 FFEDLO C#CCN(CC)c1nnc(C2CC2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001286443467 1047112200 /nfs/dbraw/zinc/11/22/00/1047112200.db2.gz HRBUGHKOBZRTNF-UHFFFAOYSA-N 1 2 352.486 2.905 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2C[C@@H](OC)C(C)(C)C)CC1 ZINC001286480410 1047120715 /nfs/dbraw/zinc/12/07/15/1047120715.db2.gz VTSPTLLAZZRQQR-GOSISDBHSA-N 1 2 373.545 2.752 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2CCOCCCC)CC1 ZINC001286478872 1047120847 /nfs/dbraw/zinc/12/08/47/1047120847.db2.gz HQHJBXUDUQIXIA-UHFFFAOYSA-N 1 2 359.518 2.508 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CC2(CC)CCC2)CC1 ZINC001286476999 1047121034 /nfs/dbraw/zinc/12/10/34/1047121034.db2.gz MSZHAOMAOFAJSJ-UHFFFAOYSA-N 1 2 352.486 2.609 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1c1ccccc1 ZINC001316643575 1047276959 /nfs/dbraw/zinc/27/69/59/1047276959.db2.gz GACOWRPHJWXNKL-VQTJNVASSA-N 1 2 351.450 2.952 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1c1ccccc1 ZINC001316643575 1047276966 /nfs/dbraw/zinc/27/69/66/1047276966.db2.gz GACOWRPHJWXNKL-VQTJNVASSA-N 1 2 351.450 2.952 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]21 ZINC001288986881 1047551702 /nfs/dbraw/zinc/55/17/02/1047551702.db2.gz FRBHNARFOLQJGJ-XYJFISCASA-N 1 2 366.465 2.610 20 30 FFEDLO C=CCC1(C(=O)N(C)C[C@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001289981698 1047805428 /nfs/dbraw/zinc/80/54/28/1047805428.db2.gz CIQJQRVVQRWZEX-BRWVUGGUSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCC1(C(=O)N(C)C[C@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001289981698 1047805434 /nfs/dbraw/zinc/80/54/34/1047805434.db2.gz CIQJQRVVQRWZEX-BRWVUGGUSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001328750497 1048449434 /nfs/dbraw/zinc/44/94/34/1048449434.db2.gz TXDOVVIHFHJZEQ-YHUYYLMFSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001328750497 1048449435 /nfs/dbraw/zinc/44/94/35/1048449435.db2.gz TXDOVVIHFHJZEQ-YHUYYLMFSA-N 1 2 371.319 2.633 20 30 FFEDLO C#CCCCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001291923997 1048995635 /nfs/dbraw/zinc/99/56/35/1048995635.db2.gz XQADWFARBKZJTQ-AYBZRNKSSA-N 1 2 364.449 2.618 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cccc2[nH+]ccn21 ZINC001292118374 1049127170 /nfs/dbraw/zinc/12/71/70/1049127170.db2.gz GVRCDYOFSUFEPE-OAGGEKHMSA-N 1 2 352.438 2.552 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2ccc(F)cc2C1 ZINC001339751015 1050171332 /nfs/dbraw/zinc/17/13/32/1050171332.db2.gz UXXVRLMCSYLNQB-UHFFFAOYSA-N 1 2 368.460 2.610 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC001341749354 1050367123 /nfs/dbraw/zinc/36/71/23/1050367123.db2.gz FKGQOTWOQTWSGE-OYRHEFFESA-N 1 2 371.529 2.847 20 30 FFEDLO CN(C)c1cccc(Cl)c1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC001341759383 1050377149 /nfs/dbraw/zinc/37/71/49/1050377149.db2.gz HSVWCEBJUYIHJW-UHFFFAOYSA-N 1 2 355.873 2.995 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(C)=C(C)C1 ZINC001342012982 1050608752 /nfs/dbraw/zinc/60/87/52/1050608752.db2.gz PHNUYSPRZFTUBQ-MSOLQXFVSA-N 1 2 357.502 2.936 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(C)=C(C)C1 ZINC001342012982 1050608755 /nfs/dbraw/zinc/60/87/55/1050608755.db2.gz PHNUYSPRZFTUBQ-MSOLQXFVSA-N 1 2 357.502 2.936 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCc2ccsc2C1 ZINC001340205401 1050613592 /nfs/dbraw/zinc/61/35/92/1050613592.db2.gz OCVLKMPXEQPSQL-INIZCTEOSA-N 1 2 373.526 2.870 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCc2ccsc2C1 ZINC001340205401 1050613596 /nfs/dbraw/zinc/61/35/96/1050613596.db2.gz OCVLKMPXEQPSQL-INIZCTEOSA-N 1 2 373.526 2.870 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@@H](C/C=C/C)C1 ZINC001342149577 1050742607 /nfs/dbraw/zinc/74/26/07/1050742607.db2.gz HYWFXXMKCPNYHL-YWPBOTNQSA-N 1 2 373.545 2.851 20 30 FFEDLO C=CCN(C)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1Cc1ccccc1 ZINC001340362319 1050757318 /nfs/dbraw/zinc/75/73/18/1050757318.db2.gz CBYXYHNDKOIOQQ-SFHVURJKSA-N 1 2 355.486 2.730 20 30 FFEDLO C=CCN(C)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1Cc1ccccc1 ZINC001340362319 1050757334 /nfs/dbraw/zinc/75/73/34/1050757334.db2.gz CBYXYHNDKOIOQQ-SFHVURJKSA-N 1 2 355.486 2.730 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@H](C2CCCC2)C1 ZINC001340448103 1050841243 /nfs/dbraw/zinc/84/12/43/1050841243.db2.gz CGIXLVURWQUDMR-IBGZPJMESA-N 1 2 373.545 2.685 20 30 FFEDLO C=CCO[C@H]1CCN(c2nnc(CC)n2CCc2cn3ccccc3[nH+]2)C1 ZINC001301557595 1050922286 /nfs/dbraw/zinc/92/22/86/1050922286.db2.gz VMHPIGHLKKWTBQ-KRWDZBQOSA-N 1 2 366.469 2.512 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C(C)(C)C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340573894 1050960158 /nfs/dbraw/zinc/96/01/58/1050960158.db2.gz ZUKLXUKPHYNGEW-RZQQEMMASA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C(C)(C)C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340573894 1050960166 /nfs/dbraw/zinc/96/01/66/1050960166.db2.gz ZUKLXUKPHYNGEW-RZQQEMMASA-N 1 2 361.534 2.638 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC001342459627 1051057263 /nfs/dbraw/zinc/05/72/63/1051057263.db2.gz KZNZPSRLQJYINY-KSZLIROESA-N 1 2 374.533 2.990 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC001342459627 1051057274 /nfs/dbraw/zinc/05/72/74/1051057274.db2.gz KZNZPSRLQJYINY-KSZLIROESA-N 1 2 374.533 2.990 20 30 FFEDLO N#Cc1c2ccccc2[nH]c1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001302455223 1051118277 /nfs/dbraw/zinc/11/82/77/1051118277.db2.gz WSAKBOQXUHBQJV-UHFFFAOYSA-N 1 2 360.417 2.703 20 30 FFEDLO CCOCCCn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC001342560328 1051163910 /nfs/dbraw/zinc/16/39/10/1051163910.db2.gz HUBPFVUMJWGLDW-IKGGRYGDSA-N 1 2 360.506 2.600 20 30 FFEDLO CCOCCCn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC001342560328 1051163915 /nfs/dbraw/zinc/16/39/15/1051163915.db2.gz HUBPFVUMJWGLDW-IKGGRYGDSA-N 1 2 360.506 2.600 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H](C#N)C1 ZINC001342674370 1051284046 /nfs/dbraw/zinc/28/40/46/1051284046.db2.gz OVKBTXGXKPVBPP-QGZVFWFLSA-N 1 2 367.501 2.687 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001342797623 1051407502 /nfs/dbraw/zinc/40/75/02/1051407502.db2.gz CZZBHEUSSGWHHK-DLBZAZTESA-N 1 2 361.534 2.541 20 30 FFEDLO CC[C@H]1CN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC(C)C)CCO1 ZINC001342920933 1051531272 /nfs/dbraw/zinc/53/12/72/1051531272.db2.gz IQQRZLJEGRTNPW-SFHVURJKSA-N 1 2 374.533 2.642 20 30 FFEDLO CCCO[C@@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2C)CC1 ZINC001341439999 1051796511 /nfs/dbraw/zinc/79/65/11/1051796511.db2.gz FUJMSGCZFYEGKW-GOSISDBHSA-N 1 2 374.533 2.694 20 30 FFEDLO C=C(C)Cn1c(N(C)CC[NH+]2CCOCC2)nnc1C(F)(F)CC1CC1 ZINC001343268244 1052119829 /nfs/dbraw/zinc/11/98/29/1052119829.db2.gz ACRLUQJMYYJFPS-UHFFFAOYSA-N 1 2 369.460 2.515 20 30 FFEDLO C[C@](O)(C[NH+]1CCN(c2ccccc2C#N)CC1)C(F)(F)C(F)(F)F ZINC001307446122 1052309055 /nfs/dbraw/zinc/30/90/55/1052309055.db2.gz NTPYQUXWDNIXON-AWEZNQCLSA-N 1 2 363.330 2.629 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)CCC(C)(C)C ZINC001343666757 1052364989 /nfs/dbraw/zinc/36/49/89/1052364989.db2.gz FCWZFCILWXVZAD-UHFFFAOYSA-N 1 2 363.550 2.931 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@H]1CCSC1 ZINC001343783687 1052417884 /nfs/dbraw/zinc/41/78/84/1052417884.db2.gz NSKXPUHMJIGRJU-HOTGVXAUSA-N 1 2 365.547 2.578 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@H]1CCSC1 ZINC001343783687 1052417888 /nfs/dbraw/zinc/41/78/88/1052417888.db2.gz NSKXPUHMJIGRJU-HOTGVXAUSA-N 1 2 365.547 2.578 20 30 FFEDLO C[C@@H]1Cc2cc(C[NH2+][C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)ccc2O1 ZINC001308673151 1052484393 /nfs/dbraw/zinc/48/43/93/1052484393.db2.gz VANTUFAJARBHFI-XOKHGSTOSA-N 1 2 357.454 2.859 20 30 FFEDLO C=C(C)C[C@@H]([NH2+]CCC1(NC(=O)OC(C)(C)C)CCOCC1)C(=O)OC ZINC001308902050 1052516294 /nfs/dbraw/zinc/51/62/94/1052516294.db2.gz NZMGNWCQBBWCQP-OAHLLOKOSA-N 1 2 370.490 2.548 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc(C[NH+]2CCCC2)n1C[C@H]1CCOC1 ZINC001345665070 1052565381 /nfs/dbraw/zinc/56/53/81/1052565381.db2.gz BFEIFVDJYHCAHI-GOSISDBHSA-N 1 2 374.533 2.677 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCc2ccc(F)cc2C1 ZINC001345993537 1052699296 /nfs/dbraw/zinc/69/92/96/1052699296.db2.gz DHUIKILDVQFUFZ-UHFFFAOYSA-N 1 2 366.444 2.880 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001346912062 1053435163 /nfs/dbraw/zinc/43/51/63/1053435163.db2.gz KGVVKNNMQKYKCP-VSZNYVQBSA-N 1 2 358.486 2.685 20 30 FFEDLO C[C@]1(C#N)CCCN(c2nnc(C[NH+]3CCCC3)n2C[C@@H]2CCCCO2)C1 ZINC001347024174 1053545978 /nfs/dbraw/zinc/54/59/78/1053545978.db2.gz REFVWLVULMZTDF-FXAWDEMLSA-N 1 2 372.517 2.573 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)C1 ZINC001337016078 1054411222 /nfs/dbraw/zinc/41/12/22/1054411222.db2.gz LJPFYTVEFBZBRE-LJQANCHMSA-N 1 2 371.456 2.528 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)C1 ZINC001337016078 1054411230 /nfs/dbraw/zinc/41/12/30/1054411230.db2.gz LJPFYTVEFBZBRE-LJQANCHMSA-N 1 2 371.456 2.528 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001347953738 1054496663 /nfs/dbraw/zinc/49/66/63/1054496663.db2.gz ANPVUSBFUUJQNA-RXVVDRJESA-N 1 2 370.497 2.539 20 30 FFEDLO C=CCCC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001348080159 1054627551 /nfs/dbraw/zinc/62/75/51/1054627551.db2.gz CELCZGIXKYBNHW-UWVAXJGDSA-N 1 2 358.486 2.545 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@@H](c2nnc(N3CCC[C@@H](CC#N)C3)n2CC2CC2)C1 ZINC001348095202 1054644517 /nfs/dbraw/zinc/64/45/17/1054644517.db2.gz QGDWXJDIXWYROO-FUHWJXTLSA-N 1 2 372.517 2.600 20 30 FFEDLO CC(C)[N@H+]1CCO[C@@H](c2nnc(N3CCC[C@@H](CC#N)C3)n2CC2CC2)C1 ZINC001348095202 1054644524 /nfs/dbraw/zinc/64/45/24/1054644524.db2.gz QGDWXJDIXWYROO-FUHWJXTLSA-N 1 2 372.517 2.600 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(CC(=C)C)Cc1ccccc1 ZINC001351604174 1054916850 /nfs/dbraw/zinc/91/68/50/1054916850.db2.gz LABPOTHEPKZKRQ-RTBURBONSA-N 1 2 367.497 2.784 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(CC(=C)C)Cc1ccccc1 ZINC001351604174 1054916862 /nfs/dbraw/zinc/91/68/62/1054916862.db2.gz LABPOTHEPKZKRQ-RTBURBONSA-N 1 2 367.497 2.784 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCS[C@H](CC)C1 ZINC001351948842 1055081689 /nfs/dbraw/zinc/08/16/89/1055081689.db2.gz IZCIHLWNZVGPQX-QGZVFWFLSA-N 1 2 374.558 2.889 20 30 FFEDLO C=CCn1c([C@H](C)C(C)C)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001352153242 1055226217 /nfs/dbraw/zinc/22/62/17/1055226217.db2.gz YOACZTAJVGYZOF-QGZVFWFLSA-N 1 2 354.502 2.941 20 30 FFEDLO C#CC[C@H](CC)c1nnc(N2CC[NH+](Cc3ccccn3)CC2)n1CC=C ZINC001352172726 1055242806 /nfs/dbraw/zinc/24/28/06/1055242806.db2.gz ZPUWLOSLKHTVHX-SFHVURJKSA-N 1 2 364.497 2.698 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001356082614 1055272819 /nfs/dbraw/zinc/27/28/19/1055272819.db2.gz KXOQUZJOQBPWKH-INIZCTEOSA-N 1 2 372.517 2.561 20 30 FFEDLO C=CCC1(O)CCN(c2nnc([C@H]3CCCC[N@H+]3C)n2CC2CC2)CC1 ZINC001350409426 1055760626 /nfs/dbraw/zinc/76/06/26/1055760626.db2.gz MIIGCWFUKMXKLI-QGZVFWFLSA-N 1 2 359.518 2.752 20 30 FFEDLO C=CCC1(O)CCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2CC2CC2)CC1 ZINC001350409426 1055760634 /nfs/dbraw/zinc/76/06/34/1055760634.db2.gz MIIGCWFUKMXKLI-QGZVFWFLSA-N 1 2 359.518 2.752 20 30 FFEDLO N#CCCCCc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC1CC1 ZINC001350449583 1055779900 /nfs/dbraw/zinc/77/99/00/1055779900.db2.gz QXNASKPTSBLWON-UHFFFAOYSA-N 1 2 365.485 2.646 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@H](CF)C1 ZINC001357152262 1055797967 /nfs/dbraw/zinc/79/79/67/1055797967.db2.gz JXQQSJULNLDITC-DLBZAZTESA-N 1 2 365.497 2.822 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@H](CF)C1 ZINC001357152262 1055797971 /nfs/dbraw/zinc/79/79/71/1055797971.db2.gz JXQQSJULNLDITC-DLBZAZTESA-N 1 2 365.497 2.822 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@@H]1c1ccccc1C ZINC001338773546 1055802776 /nfs/dbraw/zinc/80/27/76/1055802776.db2.gz PZHUCXYEYYAOTO-UHOSZYNNSA-N 1 2 367.497 2.852 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H]1c1ccccc1C ZINC001338773546 1055802788 /nfs/dbraw/zinc/80/27/88/1055802788.db2.gz PZHUCXYEYYAOTO-UHOSZYNNSA-N 1 2 367.497 2.852 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@@H](CCC)C1 ZINC001338835431 1055858123 /nfs/dbraw/zinc/85/81/23/1055858123.db2.gz ZAPOICNSUYLBPP-QGZVFWFLSA-N 1 2 361.534 2.685 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2ccccc2C1 ZINC001338839949 1055861141 /nfs/dbraw/zinc/86/11/41/1055861141.db2.gz JEPRDJYEYOYUEV-RTBURBONSA-N 1 2 365.481 2.910 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2ccccc2C1 ZINC001338839949 1055861147 /nfs/dbraw/zinc/86/11/47/1055861147.db2.gz JEPRDJYEYOYUEV-RTBURBONSA-N 1 2 365.481 2.910 20 30 FFEDLO Cn1c(Cc2cccc(C#N)c2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001338925063 1055938661 /nfs/dbraw/zinc/93/86/61/1055938661.db2.gz OENTVYQYTUXGNV-UHFFFAOYSA-N 1 2 373.464 2.753 20 30 FFEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCCO[C@H](C)C1 ZINC001358097729 1056139246 /nfs/dbraw/zinc/13/92/46/1056139246.db2.gz UXBRXXKZJZSHCX-QGZVFWFLSA-N 1 2 374.533 2.642 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@H](CCF)C1 ZINC001339485194 1056500295 /nfs/dbraw/zinc/50/02/95/1056500295.db2.gz KWWHUXMGKOFUIP-DLBZAZTESA-N 1 2 365.497 2.822 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@H](CCF)C1 ZINC001339485194 1056500309 /nfs/dbraw/zinc/50/03/09/1056500309.db2.gz KWWHUXMGKOFUIP-DLBZAZTESA-N 1 2 365.497 2.822 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)C[C@](C)(O)c1ccccc1 ZINC001339528107 1056549528 /nfs/dbraw/zinc/54/95/28/1056549528.db2.gz CGJIQJUQYIORNG-NQIIRXRSSA-N 1 2 369.513 2.965 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)C[C@](C)(O)c1ccccc1 ZINC001339528107 1056549543 /nfs/dbraw/zinc/54/95/43/1056549543.db2.gz CGJIQJUQYIORNG-NQIIRXRSSA-N 1 2 369.513 2.965 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC001339541923 1056565401 /nfs/dbraw/zinc/56/54/01/1056565401.db2.gz LVACHZZIAHCRAO-DEYYWGMASA-N 1 2 369.460 2.870 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC001339541923 1056565418 /nfs/dbraw/zinc/56/54/18/1056565418.db2.gz LVACHZZIAHCRAO-DEYYWGMASA-N 1 2 369.460 2.870 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(-c2ccccc2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001358881880 1056579602 /nfs/dbraw/zinc/57/96/02/1056579602.db2.gz OOTVRWUOHOTBBM-INIZCTEOSA-N 1 2 360.465 2.912 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001100358815 1056595022 /nfs/dbraw/zinc/59/50/22/1056595022.db2.gz QWSNWOMLYMWGRR-WMZOPIPTSA-N 1 2 358.486 2.586 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2Cc2ccc(C)cc2C)CC1 ZINC001359028811 1056665591 /nfs/dbraw/zinc/66/55/91/1056665591.db2.gz FHIVDUZMTYETIE-UHFFFAOYSA-N 1 2 351.498 2.822 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CC2(COC)CCCCC2)CC1 ZINC001359034597 1056667249 /nfs/dbraw/zinc/66/72/49/1056667249.db2.gz XCYUSUKKCOPIGH-UHFFFAOYSA-N 1 2 371.529 2.508 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CCCC2CCCC2)CC1 ZINC001359040516 1056670079 /nfs/dbraw/zinc/67/00/79/1056670079.db2.gz YBRIFYPVMXSSCZ-LJQANCHMSA-N 1 2 371.529 2.855 20 30 FFEDLO Cc1cc(C(=O)OCC#Cc2csc(C[NH+]3CCOCC3)c2)ns1 ZINC001518019280 1058239159 /nfs/dbraw/zinc/23/91/59/1058239159.db2.gz ZOWOYJNNVAJKNE-UHFFFAOYSA-N 1 2 362.476 2.554 20 30 FFEDLO CCC(C)(C)OCC(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001518018574 1058240001 /nfs/dbraw/zinc/24/00/01/1058240001.db2.gz SKQHRKPDTBIWCW-UHFFFAOYSA-N 1 2 365.495 2.680 20 30 FFEDLO C#CCN(CC#N)C(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001518674860 1058455910 /nfs/dbraw/zinc/45/59/10/1058455910.db2.gz FYXLVRAIYAXORD-MRXNPFEDSA-N 1 2 360.255 2.571 20 30 FFEDLO N#CCOc1cc(F)ccc1NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001446045436 1058472615 /nfs/dbraw/zinc/47/26/15/1058472615.db2.gz HGBWCKODSMPVKB-UHFFFAOYSA-N 1 2 352.325 2.872 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[C@H](Cc2nccs2)C1 ZINC001515031842 1059241267 /nfs/dbraw/zinc/24/12/67/1059241267.db2.gz OZHAZYXNVYMNJU-MRXNPFEDSA-N 1 2 372.542 2.976 20 30 FFEDLO N#Cc1cncc(C[N@H+](CCO)Cc2cc(Br)cs2)c1 ZINC001354710401 1059390437 /nfs/dbraw/zinc/39/04/37/1059390437.db2.gz OQFACRRSSFVSJF-UHFFFAOYSA-N 1 2 352.257 2.772 20 30 FFEDLO N#Cc1cncc(C[N@@H+](CCO)Cc2cc(Br)cs2)c1 ZINC001354710401 1059390456 /nfs/dbraw/zinc/39/04/56/1059390456.db2.gz OQFACRRSSFVSJF-UHFFFAOYSA-N 1 2 352.257 2.772 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(CCO)Cc1ccccc1 ZINC001515294796 1059511485 /nfs/dbraw/zinc/51/14/85/1059511485.db2.gz GYPMNSGXQLZODC-SFHVURJKSA-N 1 2 355.486 2.620 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(CCO)Cc1ccccc1 ZINC001515294796 1059511495 /nfs/dbraw/zinc/51/14/95/1059511495.db2.gz GYPMNSGXQLZODC-SFHVURJKSA-N 1 2 355.486 2.620 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC(c2ccncn2)CC1 ZINC001515297147 1059513088 /nfs/dbraw/zinc/51/30/88/1059513088.db2.gz SARAIQJCWMFGBE-GOSISDBHSA-N 1 2 367.501 2.795 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC(c2ccncn2)CC1 ZINC001515297147 1059513110 /nfs/dbraw/zinc/51/31/10/1059513110.db2.gz SARAIQJCWMFGBE-GOSISDBHSA-N 1 2 367.501 2.795 20 30 FFEDLO C=CCCCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001515316255 1059539895 /nfs/dbraw/zinc/53/98/95/1059539895.db2.gz RLSQEDFUBUMDFG-YYIAUSFCSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCCCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001515316255 1059539915 /nfs/dbraw/zinc/53/99/15/1059539915.db2.gz RLSQEDFUBUMDFG-YYIAUSFCSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(Cc1ccc(F)cc1)C1CC1 ZINC001520289664 1059575769 /nfs/dbraw/zinc/57/57/69/1059575769.db2.gz PYNGWBDWXWWQFE-ROUUACIJSA-N 1 2 371.460 2.510 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(Cc1ccc(F)cc1)C1CC1 ZINC001520289664 1059575788 /nfs/dbraw/zinc/57/57/88/1059575788.db2.gz PYNGWBDWXWWQFE-ROUUACIJSA-N 1 2 371.460 2.510 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)c1cccc(C)c1 ZINC001520360028 1059638442 /nfs/dbraw/zinc/63/84/42/1059638442.db2.gz ABLJSHMVZNYNNJ-UHFFFAOYSA-N 1 2 355.486 2.745 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2CCC(C)C)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001520568677 1059811542 /nfs/dbraw/zinc/81/15/42/1059811542.db2.gz YXIRVDLBGFATEG-FUHIMQAGSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2CCC(C)C)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001520568677 1059811569 /nfs/dbraw/zinc/81/15/69/1059811569.db2.gz YXIRVDLBGFATEG-FUHIMQAGSA-N 1 2 361.534 2.781 20 30 FFEDLO C[N@H+](CCc1nccc(C(F)(F)F)n1)CC(=O)Nc1sccc1C#N ZINC001355086070 1059874515 /nfs/dbraw/zinc/87/45/15/1059874515.db2.gz YLKBJEVEACEITF-UHFFFAOYSA-N 1 2 369.372 2.542 20 30 FFEDLO C[N@@H+](CCc1nccc(C(F)(F)F)n1)CC(=O)Nc1sccc1C#N ZINC001355086070 1059874539 /nfs/dbraw/zinc/87/45/39/1059874539.db2.gz YLKBJEVEACEITF-UHFFFAOYSA-N 1 2 369.372 2.542 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(Br)c(CC)s2)C1 ZINC001455701085 1059877997 /nfs/dbraw/zinc/87/79/97/1059877997.db2.gz AXEIRJXEZQYDDM-NSHDSACASA-N 1 2 355.301 2.900 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)c(CC)s2)C1 ZINC001455701085 1059878017 /nfs/dbraw/zinc/87/80/17/1059878017.db2.gz AXEIRJXEZQYDDM-NSHDSACASA-N 1 2 355.301 2.900 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@@H]1C ZINC001520956836 1060244931 /nfs/dbraw/zinc/24/49/31/1060244931.db2.gz ZUOUKNDLFLLMHJ-IXDOHACOSA-N 1 2 360.502 2.788 20 30 FFEDLO C=CCC1(C(=O)N(C)C[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001510651005 1060256589 /nfs/dbraw/zinc/25/65/89/1060256589.db2.gz DFVFUAXYXIJHGD-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCC1(C(=O)N(C)C[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001510651005 1060256611 /nfs/dbraw/zinc/25/66/11/1060256611.db2.gz DFVFUAXYXIJHGD-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO Cc1nnc(N(C)Cc2cccc(C#N)c2)n1CCc1cn2ccccc2[nH+]1 ZINC001511776434 1060402006 /nfs/dbraw/zinc/40/20/06/1060402006.db2.gz RZTCGJPJTJGOKH-UHFFFAOYSA-N 1 2 371.448 2.985 20 30 FFEDLO C=C(C)CN(CC)c1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1C ZINC001355652374 1060465189 /nfs/dbraw/zinc/46/51/89/1060465189.db2.gz PVOGQNMGSGORHB-GOSISDBHSA-N 1 2 355.486 2.791 20 30 FFEDLO C=C(C)CN(CC)c1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1C ZINC001355652374 1060465193 /nfs/dbraw/zinc/46/51/93/1060465193.db2.gz PVOGQNMGSGORHB-GOSISDBHSA-N 1 2 355.486 2.791 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)CCc1cccs1 ZINC001355974538 1060774418 /nfs/dbraw/zinc/77/44/18/1060774418.db2.gz BFRZNSVQOIBBAQ-UHFFFAOYSA-N 1 2 356.499 2.919 20 30 FFEDLO CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1CCCc1cccc(C)[nH+]1 ZINC001548128729 1072026480 /nfs/dbraw/zinc/02/64/80/1072026480.db2.gz ZJHNIIBEXVOSSQ-IBGZPJMESA-N 1 2 372.448 2.593 20 30 FFEDLO C=CCCC(=O)N1C[C@@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@]2(C)C1 ZINC001521655238 1061049428 /nfs/dbraw/zinc/04/94/28/1061049428.db2.gz XGYRBSUHJZSUHK-UTKZUKDTSA-N 1 2 355.482 2.894 20 30 FFEDLO C=CC(C)(C)CC(=O)NCC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001522000896 1061422108 /nfs/dbraw/zinc/42/21/08/1061422108.db2.gz ZJWSMRJZEPFZNA-QBPKDAKJSA-N 1 2 372.513 2.716 20 30 FFEDLO C=CC(C)(C)CC(=O)NCC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001522000896 1061422116 /nfs/dbraw/zinc/42/21/16/1061422116.db2.gz ZJWSMRJZEPFZNA-QBPKDAKJSA-N 1 2 372.513 2.716 20 30 FFEDLO CN(Cc1cccc(C#N)c1)c1nnc(Cc2[nH+]ccn2C)n1CC1CC1 ZINC001527810922 1061636529 /nfs/dbraw/zinc/63/65/29/1061636529.db2.gz UJODNOGMIYLNQG-UHFFFAOYSA-N 1 2 361.453 2.520 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)C1 ZINC001527923412 1061688967 /nfs/dbraw/zinc/68/89/67/1061688967.db2.gz VIIUKSJNWRMXRE-QGZVFWFLSA-N 1 2 366.513 2.631 20 30 FFEDLO Cc1cccn2cc(CCNS(=O)(=O)c3cccc(C#N)c3Cl)[nH+]c12 ZINC001463229057 1062004353 /nfs/dbraw/zinc/00/43/53/1062004353.db2.gz LKMUPYFHZGUCRB-UHFFFAOYSA-N 1 2 374.853 2.689 20 30 FFEDLO C#C[C@H](NC(=O)N[C@@H](CC)C[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC001478902084 1062148213 /nfs/dbraw/zinc/14/82/13/1062148213.db2.gz XRDUGZMSYGEHQJ-YOEHRIQHSA-N 1 2 367.852 2.563 20 30 FFEDLO C=CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cnon3)CC[C@@H]2C1)c1ccccc1 ZINC001479674697 1062803376 /nfs/dbraw/zinc/80/33/76/1062803376.db2.gz NIQJQOYXYGKQRL-WSTZPKSXSA-N 1 2 366.465 2.710 20 30 FFEDLO C=CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3cnon3)CC[C@@H]2C1)c1ccccc1 ZINC001479674697 1062803405 /nfs/dbraw/zinc/80/34/05/1062803405.db2.gz NIQJQOYXYGKQRL-WSTZPKSXSA-N 1 2 366.465 2.710 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001479701032 1062826152 /nfs/dbraw/zinc/82/61/52/1062826152.db2.gz RLTMUMMABFAYIQ-CLCXKQKWSA-N 1 2 359.445 2.758 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001479701032 1062826174 /nfs/dbraw/zinc/82/61/74/1062826174.db2.gz RLTMUMMABFAYIQ-CLCXKQKWSA-N 1 2 359.445 2.758 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](Cc1cc(O)ccc1Cl)C1CC1 ZINC001493416233 1063159058 /nfs/dbraw/zinc/15/90/58/1063159058.db2.gz VABMZMPNVPPBAI-AEFFLSMTSA-N 1 2 364.873 2.717 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](Cc1cc(O)ccc1Cl)C1CC1 ZINC001493416233 1063159075 /nfs/dbraw/zinc/15/90/75/1063159075.db2.gz VABMZMPNVPPBAI-AEFFLSMTSA-N 1 2 364.873 2.717 20 30 FFEDLO CCc1nnc(N2CCC(CC#N)CC2)n1CCc1cn2ccccc2[nH+]1 ZINC001546469823 1063375322 /nfs/dbraw/zinc/37/53/22/1063375322.db2.gz ULHNZGIYPZVDGI-UHFFFAOYSA-N 1 2 363.469 2.861 20 30 FFEDLO CC[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001495421900 1063494812 /nfs/dbraw/zinc/49/48/12/1063494812.db2.gz RIHCHVCFHNDACC-SJORKVTESA-N 1 2 374.533 2.642 20 30 FFEDLO CC[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001495421895 1063495276 /nfs/dbraw/zinc/49/52/76/1063495276.db2.gz RIHCHVCFHNDACC-IRXDYDNUSA-N 1 2 374.533 2.642 20 30 FFEDLO C=CCCCC(=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001497846590 1063770792 /nfs/dbraw/zinc/77/07/92/1063770792.db2.gz PEIDEAFHJOAJSP-QZTJIDSGSA-N 1 2 363.546 2.628 20 30 FFEDLO N#CCCn1ncc(C(=O)N2CCc3cc[nH+]c(N)c3C2)c1-c1ccccc1 ZINC001470907493 1064484901 /nfs/dbraw/zinc/48/49/01/1064484901.db2.gz MJEGOLILDOPEHK-UHFFFAOYSA-N 1 2 372.432 2.639 20 30 FFEDLO C=CCC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)c2sccc2C)CC1 ZINC001575097955 1078106581 /nfs/dbraw/zinc/10/65/81/1078106581.db2.gz XAHCXEXAHPMFDF-UHFFFAOYSA-N 1 2 359.499 2.858 20 30 FFEDLO C=CCCC[C@@H](C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC)c1ccccc1 ZINC001472085932 1064925859 /nfs/dbraw/zinc/92/58/59/1064925859.db2.gz FHBFFFNIROXTSO-QZTJIDSGSA-N 1 2 355.438 2.750 20 30 FFEDLO C=CCCC[C@@H](C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC)c1ccccc1 ZINC001472085932 1064925869 /nfs/dbraw/zinc/92/58/69/1064925869.db2.gz FHBFFFNIROXTSO-QZTJIDSGSA-N 1 2 355.438 2.750 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@H](C(=O)OC)c2ccccc2)cc1 ZINC001473245989 1065228599 /nfs/dbraw/zinc/22/85/99/1065228599.db2.gz ZOUIIRWMDLOQKP-FQEVSTJZSA-N 1 2 350.418 2.843 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@H+](C)[C@H](C(=O)OC)c2ccccc2)cc1 ZINC001473245989 1065228604 /nfs/dbraw/zinc/22/86/04/1065228604.db2.gz ZOUIIRWMDLOQKP-FQEVSTJZSA-N 1 2 350.418 2.843 20 30 FFEDLO CC1(C)C[N@H+](CCNc2nccc(Oc3cccc(C#N)c3)n2)CCO1 ZINC001559088806 1076124299 /nfs/dbraw/zinc/12/42/99/1076124299.db2.gz OKYDAUTXHLPMER-UHFFFAOYSA-N 1 2 353.426 2.663 20 30 FFEDLO CC1(C)C[N@@H+](CCNc2nccc(Oc3cccc(C#N)c3)n2)CCO1 ZINC001559088806 1076124301 /nfs/dbraw/zinc/12/43/01/1076124301.db2.gz OKYDAUTXHLPMER-UHFFFAOYSA-N 1 2 353.426 2.663 20 30 FFEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2cnc(C#N)c(C#N)n2)CC1 ZINC001559104899 1076126205 /nfs/dbraw/zinc/12/62/05/1076126205.db2.gz AYTRKAPMABDVBK-SFHVURJKSA-N 1 2 368.391 2.771 20 30 FFEDLO N#Cc1cncc(N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC001559188143 1076133464 /nfs/dbraw/zinc/13/34/64/1076133464.db2.gz PZCDHFCMQCNFRG-UHFFFAOYSA-N 1 2 373.214 2.607 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)o1 ZINC001560921533 1076309891 /nfs/dbraw/zinc/30/98/91/1076309891.db2.gz OTWMCIPXQKZELZ-UHFFFAOYSA-N 1 2 363.421 2.872 20 30 FFEDLO C#Cc1ccc(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2Cc2ccccc2)cc1 ZINC001563369583 1076547007 /nfs/dbraw/zinc/54/70/07/1076547007.db2.gz MDFZXBOFLDZBGE-OAQYLSRUSA-N 1 2 362.477 2.606 20 30 FFEDLO C#Cc1ccc(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2Cc2ccccc2)cc1 ZINC001563369583 1076547008 /nfs/dbraw/zinc/54/70/08/1076547008.db2.gz MDFZXBOFLDZBGE-OAQYLSRUSA-N 1 2 362.477 2.606 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001565883072 1076776982 /nfs/dbraw/zinc/77/69/82/1076776982.db2.gz WYBFBILTOCNMLN-YZGWKJHDSA-N 1 2 364.493 2.614 20 30 FFEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001565883072 1076776984 /nfs/dbraw/zinc/77/69/84/1076776984.db2.gz WYBFBILTOCNMLN-YZGWKJHDSA-N 1 2 364.493 2.614 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001572794557 1077380723 /nfs/dbraw/zinc/38/07/23/1077380723.db2.gz ITHJKNCRJYSGSR-FUHWJXTLSA-N 1 2 360.502 2.762 20 30 FFEDLO C#CCCCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001573168679 1077553541 /nfs/dbraw/zinc/55/35/41/1077553541.db2.gz DZVOATREAGNDQT-DLBZAZTESA-N 1 2 366.465 2.543 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCC)CC1 ZINC001588848461 1080217513 /nfs/dbraw/zinc/21/75/13/1080217513.db2.gz GSUBRCFLGPUVCY-UHFFFAOYSA-N 1 2 369.488 2.953 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC[C@H]1COc2ccccc2O1)Cc1ccccc1F ZINC000108405942 210139875 /nfs/dbraw/zinc/13/98/75/210139875.db2.gz LHAORQXNJLBHOB-KRWDZBQOSA-N 1 2 370.424 2.770 20 30 FFEDLO C=CC[N@H+](CC(=O)NC[C@H]1COc2ccccc2O1)Cc1ccccc1F ZINC000108405942 210139869 /nfs/dbraw/zinc/13/98/69/210139869.db2.gz LHAORQXNJLBHOB-KRWDZBQOSA-N 1 2 370.424 2.770 20 30 FFEDLO COC(=O)c1cccc(Cn2c3ccccc3[nH]c2=[NH+]C[C@@H](C)O)c1C#N ZINC000535917406 540527861 /nfs/dbraw/zinc/52/78/61/540527861.db2.gz DVUJINCKSLJYAI-CYBMUJFWSA-N 1 2 364.405 2.536 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000093201610 250022036 /nfs/dbraw/zinc/02/20/36/250022036.db2.gz HDWLGRXPXCAMLS-ROUUACIJSA-N 1 2 367.453 2.824 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000093201610 250022038 /nfs/dbraw/zinc/02/20/38/250022038.db2.gz HDWLGRXPXCAMLS-ROUUACIJSA-N 1 2 367.453 2.824 20 30 FFEDLO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000277772490 256237710 /nfs/dbraw/zinc/23/77/10/256237710.db2.gz NFBHQFBDPKBZCN-AWEZNQCLSA-N 1 2 371.300 2.720 20 30 FFEDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000277772490 256237712 /nfs/dbraw/zinc/23/77/12/256237712.db2.gz NFBHQFBDPKBZCN-AWEZNQCLSA-N 1 2 371.300 2.720 20 30 FFEDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C[C@@H]1C ZINC000287663095 257101318 /nfs/dbraw/zinc/10/13/18/257101318.db2.gz HGVIUTCMFAJOGZ-XHDPSFHLSA-N 1 2 351.244 2.952 20 30 FFEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C[C@@H]1C ZINC000287663095 257101319 /nfs/dbraw/zinc/10/13/19/257101319.db2.gz HGVIUTCMFAJOGZ-XHDPSFHLSA-N 1 2 351.244 2.952 20 30 FFEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C2 ZINC000289401574 257279309 /nfs/dbraw/zinc/27/93/09/257279309.db2.gz ADEDWMALVFDNLF-UHFFFAOYSA-N 1 2 361.445 2.730 20 30 FFEDLO COc1ccc2c(c1)C1(CC1)C[N@H+](CC(=O)NCc1ccc(C#N)cc1)C2 ZINC000289401574 257279310 /nfs/dbraw/zinc/27/93/10/257279310.db2.gz ADEDWMALVFDNLF-UHFFFAOYSA-N 1 2 361.445 2.730 20 30 FFEDLO COC(=O)c1ccc([C@H](C)[NH+]2CCN(c3snc(C)c3C#N)CC2)o1 ZINC000289465317 257282709 /nfs/dbraw/zinc/28/27/09/257282709.db2.gz MMFORODBKVUAJH-LBPRGKRZSA-N 1 2 360.439 2.586 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000289212399 257266240 /nfs/dbraw/zinc/26/62/40/257266240.db2.gz QAQQACRBIQKTKS-QGZVFWFLSA-N 1 2 358.467 2.832 20 30 FFEDLO COc1cncc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000289707763 257294719 /nfs/dbraw/zinc/29/47/19/257294719.db2.gz FPSBRHLKCWCUKH-UHFFFAOYSA-N 1 2 365.393 2.532 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3C=CCCCCC3)CC2)cc1 ZINC000328764923 258120089 /nfs/dbraw/zinc/12/00/89/258120089.db2.gz OYIASWYKFYADMO-GOSISDBHSA-N 1 2 359.495 2.753 20 30 FFEDLO Cc1cc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c(C#N)cc1N(C)C ZINC000332399837 258228740 /nfs/dbraw/zinc/22/87/40/258228740.db2.gz MWCRKCNCSAWZFO-UHFFFAOYSA-N 1 2 352.442 2.998 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)CCC2 ZINC000366699195 512145984 /nfs/dbraw/zinc/14/59/84/512145984.db2.gz GMZZVQINZBGOKW-ZDUSSCGKSA-N 1 2 364.858 2.573 20 30 FFEDLO CCOc1ccccc1N1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000032830931 506301883 /nfs/dbraw/zinc/30/18/83/506301883.db2.gz ZFRLILMLAYSSHZ-LAUBAEHRSA-N 1 2 372.513 2.650 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000368966345 512161187 /nfs/dbraw/zinc/16/11/87/512161187.db2.gz YRCNIHSPHWTMEV-QGZVFWFLSA-N 1 2 364.449 2.898 20 30 FFEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c(-c2cccnc2)n1 ZINC000377249959 512186087 /nfs/dbraw/zinc/18/60/87/512186087.db2.gz MDMCRGOFXNQWKY-FQEVSTJZSA-N 1 2 359.433 2.927 20 30 FFEDLO Cn1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c(-c2cccnc2)n1 ZINC000377249959 512186090 /nfs/dbraw/zinc/18/60/90/512186090.db2.gz MDMCRGOFXNQWKY-FQEVSTJZSA-N 1 2 359.433 2.927 20 30 FFEDLO N#C[C@@H]1N(C(=O)c2cccc(-n3cc[nH+]c3)c2)CCC[C@]12CCCCO2 ZINC000377273814 512196498 /nfs/dbraw/zinc/19/64/98/512196498.db2.gz RTZNKGNYGWPUDE-AZUAARDMSA-N 1 2 350.422 2.940 20 30 FFEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000375254067 512234022 /nfs/dbraw/zinc/23/40/22/512234022.db2.gz IAUYVWUUDSEYJA-LIRRHRJNSA-N 1 2 354.454 2.901 20 30 FFEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000375254067 512234024 /nfs/dbraw/zinc/23/40/24/512234024.db2.gz IAUYVWUUDSEYJA-LIRRHRJNSA-N 1 2 354.454 2.901 20 30 FFEDLO COC(=O)[C@H](c1ccsc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000410314810 512238112 /nfs/dbraw/zinc/23/81/12/512238112.db2.gz DQEZHLLJUTYRPP-SFHVURJKSA-N 1 2 355.463 2.652 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)NCCC2=CCCCC2)CC1 ZINC000369213630 512286144 /nfs/dbraw/zinc/28/61/44/512286144.db2.gz GVVAXHLVKKWTDP-UHFFFAOYSA-N 1 2 352.482 2.945 20 30 FFEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H]1COc2ccccc2O1 ZINC000042365242 506623878 /nfs/dbraw/zinc/62/38/78/506623878.db2.gz UDPRKVLLRHEQDS-GOSISDBHSA-N 1 2 365.433 2.705 20 30 FFEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H]1COc2ccccc2O1 ZINC000042365242 506623886 /nfs/dbraw/zinc/62/38/86/506623886.db2.gz UDPRKVLLRHEQDS-GOSISDBHSA-N 1 2 365.433 2.705 20 30 FFEDLO CC(C)c1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n[nH]1 ZINC000045013975 506905516 /nfs/dbraw/zinc/90/55/16/506905516.db2.gz WQXVRJJKZSMZBB-UHFFFAOYSA-N 1 2 351.454 2.753 20 30 FFEDLO CC(C)c1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n[nH]1 ZINC000045013975 506905518 /nfs/dbraw/zinc/90/55/18/506905518.db2.gz WQXVRJJKZSMZBB-UHFFFAOYSA-N 1 2 351.454 2.753 20 30 FFEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000367035632 512307484 /nfs/dbraw/zinc/30/74/84/512307484.db2.gz CFARKURYQJFRED-HNNXBMFYSA-N 1 2 355.463 2.901 20 30 FFEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000367035632 512307489 /nfs/dbraw/zinc/30/74/89/512307489.db2.gz CFARKURYQJFRED-HNNXBMFYSA-N 1 2 355.463 2.901 20 30 FFEDLO N#Cc1cccc(CS(=O)(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000067878757 507036936 /nfs/dbraw/zinc/03/69/36/507036936.db2.gz KJNRPEQZSAMTRW-UHFFFAOYSA-N 1 2 370.409 2.503 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)NCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000056638942 507063478 /nfs/dbraw/zinc/06/34/78/507063478.db2.gz AEQSMXSASHPMLL-UHFFFAOYSA-N 1 2 363.421 2.880 20 30 FFEDLO Cc1cc(C)cc(OCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000017843335 507129879 /nfs/dbraw/zinc/12/98/79/507129879.db2.gz RZTURKZQRRTEHK-UHFFFAOYSA-N 1 2 363.461 2.898 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000018233679 507147081 /nfs/dbraw/zinc/14/70/81/507147081.db2.gz VBMXLGNGISTTEW-KXBFYZLASA-N 1 2 360.417 2.965 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)c1 ZINC000367076499 512325781 /nfs/dbraw/zinc/32/57/81/512325781.db2.gz OQJREBNVYDEVRP-LJQANCHMSA-N 1 2 353.378 2.919 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)c1 ZINC000367076499 512325785 /nfs/dbraw/zinc/32/57/85/512325785.db2.gz OQJREBNVYDEVRP-LJQANCHMSA-N 1 2 353.378 2.919 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2sc3cccc(F)c3c2COC)CC1 ZINC000068445468 507235117 /nfs/dbraw/zinc/23/51/17/507235117.db2.gz QOTOJKDCQOEDJC-UHFFFAOYSA-N 1 2 360.454 2.968 20 30 FFEDLO N#Cc1cccc(C[NH+]2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1 ZINC000020805178 507236403 /nfs/dbraw/zinc/23/64/03/507236403.db2.gz JORHMWSUTCQDJO-UHFFFAOYSA-N 1 2 368.868 2.968 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)Cc1cccc([N+](=O)[O-])c1 ZINC000068825532 507334709 /nfs/dbraw/zinc/33/47/09/507334709.db2.gz MXPPTIRTZQOQHN-OALUTQOASA-N 1 2 373.453 2.753 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)Cc1cccc([N+](=O)[O-])c1 ZINC000068825532 507334720 /nfs/dbraw/zinc/33/47/20/507334720.db2.gz MXPPTIRTZQOQHN-OALUTQOASA-N 1 2 373.453 2.753 20 30 FFEDLO N#CC1CC[NH+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)CC1 ZINC000057908020 507350194 /nfs/dbraw/zinc/35/01/94/507350194.db2.gz PFGPCSGXNSODFH-INIZCTEOSA-N 1 2 352.394 2.786 20 30 FFEDLO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[NH+]2CCC(C#N)CC2)c1 ZINC000057906479 507351188 /nfs/dbraw/zinc/35/11/88/507351188.db2.gz OWQQXWQCSDAASG-GOSISDBHSA-N 1 2 357.454 2.603 20 30 FFEDLO CN1CC[NH+](C[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000068910652 507358609 /nfs/dbraw/zinc/35/86/09/507358609.db2.gz IRHOCLHFEBUPLI-IBGZPJMESA-N 1 2 365.437 2.867 20 30 FFEDLO C=CCNC(=O)C[N@@H+](CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000023821019 507375857 /nfs/dbraw/zinc/37/58/57/507375857.db2.gz QASWJROALMMPNK-UHFFFAOYSA-N 1 2 358.269 2.946 20 30 FFEDLO C=CCNC(=O)C[N@H+](CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000023821019 507375861 /nfs/dbraw/zinc/37/58/61/507375861.db2.gz QASWJROALMMPNK-UHFFFAOYSA-N 1 2 358.269 2.946 20 30 FFEDLO Cc1ccc(C#N)cc1NC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000058452357 507421233 /nfs/dbraw/zinc/42/12/33/507421233.db2.gz FNKBHOVMHGYXLN-OAHLLOKOSA-N 1 2 365.437 2.809 20 30 FFEDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1F ZINC000060481195 507551060 /nfs/dbraw/zinc/55/10/60/507551060.db2.gz VWBUBIPJQCDMDC-OAHLLOKOSA-N 1 2 367.428 2.550 20 30 FFEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000026346085 507581158 /nfs/dbraw/zinc/58/11/58/507581158.db2.gz VQQVEFSVSJRJME-UHFFFAOYSA-N 1 2 352.394 2.973 20 30 FFEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000026346085 507581163 /nfs/dbraw/zinc/58/11/63/507581163.db2.gz VQQVEFSVSJRJME-UHFFFAOYSA-N 1 2 352.394 2.973 20 30 FFEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1cnn(-c2ccccc2)c1 ZINC000027551720 507664582 /nfs/dbraw/zinc/66/45/82/507664582.db2.gz ZRFSBKRYDSBPOU-UHFFFAOYSA-N 1 2 351.435 2.876 20 30 FFEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1cnn(-c2ccccc2)c1 ZINC000027551720 507664587 /nfs/dbraw/zinc/66/45/87/507664587.db2.gz ZRFSBKRYDSBPOU-UHFFFAOYSA-N 1 2 351.435 2.876 20 30 FFEDLO COC(=O)c1ccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000028154696 507710497 /nfs/dbraw/zinc/71/04/97/507710497.db2.gz IUSJGPQOPQRXRP-UHFFFAOYSA-N 1 2 353.422 2.646 20 30 FFEDLO COC(=O)c1ccc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000028154696 507710503 /nfs/dbraw/zinc/71/05/03/507710503.db2.gz IUSJGPQOPQRXRP-UHFFFAOYSA-N 1 2 353.422 2.646 20 30 FFEDLO C=CC[N@H+](CC(=O)NC(=O)Nc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063288475 507712514 /nfs/dbraw/zinc/71/25/14/507712514.db2.gz XYSPKMCFEQRGJR-UHFFFAOYSA-N 1 2 368.393 2.931 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC(=O)Nc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063288475 507712518 /nfs/dbraw/zinc/71/25/18/507712518.db2.gz XYSPKMCFEQRGJR-UHFFFAOYSA-N 1 2 368.393 2.931 20 30 FFEDLO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000051059226 507732773 /nfs/dbraw/zinc/73/27/73/507732773.db2.gz XHDAJLPDISNALN-HOCLYGCPSA-N 1 2 374.485 2.723 20 30 FFEDLO CCCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000051059226 507732776 /nfs/dbraw/zinc/73/27/76/507732776.db2.gz XHDAJLPDISNALN-HOCLYGCPSA-N 1 2 374.485 2.723 20 30 FFEDLO C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000072073610 507745274 /nfs/dbraw/zinc/74/52/74/507745274.db2.gz VJKSOSKZGKRPKI-TVRKMHQQSA-N 1 2 354.498 2.764 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CCC(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000028879370 507747567 /nfs/dbraw/zinc/74/75/67/507747567.db2.gz ZXJBTRVSKJSEAR-UHFFFAOYSA-N 1 2 373.460 2.576 20 30 FFEDLO COCC[N@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)Cc1ccc(C#N)cc1 ZINC000063754363 507768363 /nfs/dbraw/zinc/76/83/63/507768363.db2.gz URCDVUALROEPDQ-SQGPQFPESA-N 1 2 357.498 2.948 20 30 FFEDLO COCC[N@@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)Cc1ccc(C#N)cc1 ZINC000063754363 507768366 /nfs/dbraw/zinc/76/83/66/507768366.db2.gz URCDVUALROEPDQ-SQGPQFPESA-N 1 2 357.498 2.948 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)Nc2cc(F)ccc2F)CC1 ZINC000051852305 507788180 /nfs/dbraw/zinc/78/81/80/507788180.db2.gz CRKCXQRNRUIQPK-UHFFFAOYSA-N 1 2 370.403 2.987 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@H+](CC(=O)Nc2cc(F)ccc2F)CC1 ZINC000051852305 507788181 /nfs/dbraw/zinc/78/81/81/507788181.db2.gz CRKCXQRNRUIQPK-UHFFFAOYSA-N 1 2 370.403 2.987 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])ccc1N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000029844861 507792546 /nfs/dbraw/zinc/79/25/46/507792546.db2.gz CFNBPVNQQCEEBW-IBGZPJMESA-N 1 2 352.394 2.952 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3O)CC2)cc1 ZINC000072496138 507799240 /nfs/dbraw/zinc/79/92/40/507799240.db2.gz SAFWRGPSWDLOGX-UHFFFAOYSA-N 1 2 355.825 2.875 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCn3cnc4ccccc43)CC2)cc1 ZINC000030019870 507800817 /nfs/dbraw/zinc/80/08/17/507800817.db2.gz ZLXAFOCTXMKVTB-UHFFFAOYSA-N 1 2 373.460 2.642 20 30 FFEDLO N#Cc1ccc(CCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000030703806 507812411 /nfs/dbraw/zinc/81/24/11/507812411.db2.gz DGNUWFINJIQQRD-NRFANRHFSA-N 1 2 363.461 2.681 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000107074064 507834307 /nfs/dbraw/zinc/83/43/07/507834307.db2.gz BPEPWJOKNLBSLX-WMZOPIPTSA-N 1 2 360.479 2.685 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000107074064 507834308 /nfs/dbraw/zinc/83/43/08/507834308.db2.gz BPEPWJOKNLBSLX-WMZOPIPTSA-N 1 2 360.479 2.685 20 30 FFEDLO N#CCc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000078321576 507860383 /nfs/dbraw/zinc/86/03/83/507860383.db2.gz NOGQSJLAPBQFOZ-UHFFFAOYSA-N 1 2 364.449 2.907 20 30 FFEDLO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000078616275 507889525 /nfs/dbraw/zinc/88/95/25/507889525.db2.gz MBYCGSDDEFJCSF-RTWAWAEBSA-N 1 2 362.477 2.698 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089968527 507894316 /nfs/dbraw/zinc/89/43/16/507894316.db2.gz USBMDGJMRIFQLC-CQSZACIVSA-N 1 2 369.387 2.711 20 30 FFEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3ncccc3C#N)CC2)c(C)c1 ZINC000073108731 507894794 /nfs/dbraw/zinc/89/47/94/507894794.db2.gz IWKXHLLRTLIEIZ-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2cnn(C)c2)c1 ZINC000073642673 507941454 /nfs/dbraw/zinc/94/14/54/507941454.db2.gz YWQSESAWXLUMCX-QGZVFWFLSA-N 1 2 353.470 2.804 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc2cnn(C)c2)c1 ZINC000073642673 507941457 /nfs/dbraw/zinc/94/14/57/507941457.db2.gz YWQSESAWXLUMCX-QGZVFWFLSA-N 1 2 353.470 2.804 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000079503446 507969513 /nfs/dbraw/zinc/96/95/13/507969513.db2.gz JJIFONQFTMVCEF-SFTDATJTSA-N 1 2 363.461 2.808 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000079503446 507969516 /nfs/dbraw/zinc/96/95/16/507969516.db2.gz JJIFONQFTMVCEF-SFTDATJTSA-N 1 2 363.461 2.808 20 30 FFEDLO C=CCCC[C@H](C)[NH+]1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000091578108 507993249 /nfs/dbraw/zinc/99/32/49/507993249.db2.gz HCXVOKSLTBPVLA-INIZCTEOSA-N 1 2 364.511 2.593 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(OCc3ccccc3F)CC2)cc1 ZINC000091868424 508021026 /nfs/dbraw/zinc/02/10/26/508021026.db2.gz RJCZIMQERNPXIJ-FQEVSTJZSA-N 1 2 367.424 2.905 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000080162526 508045889 /nfs/dbraw/zinc/04/58/89/508045889.db2.gz QEXIOZZHHNHBLK-UHFFFAOYSA-N 1 2 354.813 2.559 20 30 FFEDLO N#CCSCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000110982022 508062666 /nfs/dbraw/zinc/06/26/66/508062666.db2.gz FDQRKUNTCAHISV-AWEZNQCLSA-N 1 2 355.866 2.816 20 30 FFEDLO N#CCSCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000110982022 508062667 /nfs/dbraw/zinc/06/26/67/508062667.db2.gz FDQRKUNTCAHISV-AWEZNQCLSA-N 1 2 355.866 2.816 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OC(C)C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361055 508063990 /nfs/dbraw/zinc/06/39/90/508063990.db2.gz DFHXBTVNWVZEPD-INIZCTEOSA-N 1 2 353.484 2.658 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OC(C)C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361055 508063992 /nfs/dbraw/zinc/06/39/92/508063992.db2.gz DFHXBTVNWVZEPD-INIZCTEOSA-N 1 2 353.484 2.658 20 30 FFEDLO CCN(C(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1)c1ccccc1 ZINC000080906300 508110426 /nfs/dbraw/zinc/11/04/26/508110426.db2.gz GKNKKCDKXWYBLR-NRFANRHFSA-N 1 2 362.477 2.922 20 30 FFEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000093090985 508121245 /nfs/dbraw/zinc/12/12/45/508121245.db2.gz JFIPUKDXKMDEIM-OAHLLOKOSA-N 1 2 351.878 2.785 20 30 FFEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000093090985 508121247 /nfs/dbraw/zinc/12/12/47/508121247.db2.gz JFIPUKDXKMDEIM-OAHLLOKOSA-N 1 2 351.878 2.785 20 30 FFEDLO C=CCOc1ccccc1CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000111886053 508134173 /nfs/dbraw/zinc/13/41/73/508134173.db2.gz ZRLBTAHUVRSLFE-UHFFFAOYSA-N 1 2 366.465 2.674 20 30 FFEDLO CC(C)[N@H+](CCS(C)(=O)=O)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093707631 508152977 /nfs/dbraw/zinc/15/29/77/508152977.db2.gz DMWVZKQRVUYKFU-UHFFFAOYSA-N 1 2 374.510 2.719 20 30 FFEDLO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093707631 508152980 /nfs/dbraw/zinc/15/29/80/508152980.db2.gz DMWVZKQRVUYKFU-UHFFFAOYSA-N 1 2 374.510 2.719 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1C#N ZINC000097152726 508220310 /nfs/dbraw/zinc/22/03/10/508220310.db2.gz HLZHYEUOXUAHFK-GFCCVEGCSA-N 1 2 362.499 2.621 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1C#N ZINC000097152726 508220308 /nfs/dbraw/zinc/22/03/08/508220308.db2.gz HLZHYEUOXUAHFK-GFCCVEGCSA-N 1 2 362.499 2.621 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)C[C@H](C)C#N ZINC000098134183 508236859 /nfs/dbraw/zinc/23/68/59/508236859.db2.gz ALGTYDTWCYSVAI-NVXWUHKLSA-N 1 2 359.470 2.849 20 30 FFEDLO CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)C[C@H](C)C#N ZINC000098134183 508236861 /nfs/dbraw/zinc/23/68/61/508236861.db2.gz ALGTYDTWCYSVAI-NVXWUHKLSA-N 1 2 359.470 2.849 20 30 FFEDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083168433 508238580 /nfs/dbraw/zinc/23/85/80/508238580.db2.gz IPQCSVRRFCPGRD-HNNXBMFYSA-N 1 2 356.407 2.765 20 30 FFEDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083168433 508238582 /nfs/dbraw/zinc/23/85/82/508238582.db2.gz IPQCSVRRFCPGRD-HNNXBMFYSA-N 1 2 356.407 2.765 20 30 FFEDLO C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554803 508245627 /nfs/dbraw/zinc/24/56/27/508245627.db2.gz BGWYUXGYKSMEBA-GOSISDBHSA-N 1 2 362.477 2.900 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000084501190 508281831 /nfs/dbraw/zinc/28/18/31/508281831.db2.gz SRIZZKUNEAZTJJ-OAHLLOKOSA-N 1 2 358.388 2.829 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000084501190 508281835 /nfs/dbraw/zinc/28/18/35/508281835.db2.gz SRIZZKUNEAZTJJ-OAHLLOKOSA-N 1 2 358.388 2.829 20 30 FFEDLO Cc1cc(CCCC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(C)s1 ZINC000084590544 508286163 /nfs/dbraw/zinc/28/61/63/508286163.db2.gz FHCABBWLLYTXAG-UHFFFAOYSA-N 1 2 363.527 2.762 20 30 FFEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000077271463 508293966 /nfs/dbraw/zinc/29/39/66/508293966.db2.gz AFHKFCDVOMSLAA-UHFFFAOYSA-N 1 2 371.481 2.670 20 30 FFEDLO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(C#N)c(SC)[nH]c1=O)C(C)C ZINC000084926524 508297258 /nfs/dbraw/zinc/29/72/58/508297258.db2.gz BZANNSQEADTSCS-MRXNPFEDSA-N 1 2 374.510 2.809 20 30 FFEDLO C=CCn1c(C)cc(C(=O)CN2CC[NH+](Cc3ccccn3)CC2)c1C ZINC000105497509 508374247 /nfs/dbraw/zinc/37/42/47/508374247.db2.gz MFAVTFYPGMJLEE-UHFFFAOYSA-N 1 2 352.482 2.686 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000088559124 508376490 /nfs/dbraw/zinc/37/64/90/508376490.db2.gz ZBSOIFIBTAUVGF-AWEZNQCLSA-N 1 2 366.259 2.598 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000088559124 508376492 /nfs/dbraw/zinc/37/64/92/508376492.db2.gz ZBSOIFIBTAUVGF-AWEZNQCLSA-N 1 2 366.259 2.598 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605844 508379015 /nfs/dbraw/zinc/37/90/15/508379015.db2.gz CRXXODTYFQHODY-CYBMUJFWSA-N 1 2 350.378 2.852 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605844 508379017 /nfs/dbraw/zinc/37/90/17/508379017.db2.gz CRXXODTYFQHODY-CYBMUJFWSA-N 1 2 350.378 2.852 20 30 FFEDLO Cc1cc(C)n2c(C[NH+]3CCN([C@H](C#N)c4ccccc4)CC3)cnc2n1 ZINC000156484597 508427615 /nfs/dbraw/zinc/42/76/15/508427615.db2.gz YDOOAFQPBVHIGY-HXUWFJFHSA-N 1 2 360.465 2.729 20 30 FFEDLO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000156611964 508449804 /nfs/dbraw/zinc/44/98/04/508449804.db2.gz PYUCEQRZOISCHD-YOEHRIQHSA-N 1 2 358.442 2.840 20 30 FFEDLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000156611964 508449808 /nfs/dbraw/zinc/44/98/08/508449808.db2.gz PYUCEQRZOISCHD-YOEHRIQHSA-N 1 2 358.442 2.840 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152490977 508456869 /nfs/dbraw/zinc/45/68/69/508456869.db2.gz GIWRZPSPDXXQNA-RDJZCZTQSA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152490977 508456872 /nfs/dbraw/zinc/45/68/72/508456872.db2.gz GIWRZPSPDXXQNA-RDJZCZTQSA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152513265 508461687 /nfs/dbraw/zinc/46/16/87/508461687.db2.gz KQDVMRNAXFSRIB-CVEARBPZSA-N 1 2 365.836 2.661 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152513265 508461692 /nfs/dbraw/zinc/46/16/92/508461692.db2.gz KQDVMRNAXFSRIB-CVEARBPZSA-N 1 2 365.836 2.661 20 30 FFEDLO COc1ccc(C[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1C ZINC000156721470 508467720 /nfs/dbraw/zinc/46/77/20/508467720.db2.gz XGXDEIBPEDTBBJ-UHFFFAOYSA-N 1 2 358.463 2.781 20 30 FFEDLO COc1ccc(C[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1C ZINC000156721470 508467724 /nfs/dbraw/zinc/46/77/24/508467724.db2.gz XGXDEIBPEDTBBJ-UHFFFAOYSA-N 1 2 358.463 2.781 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccc(OC)cc1 ZINC000122583314 508557702 /nfs/dbraw/zinc/55/77/02/508557702.db2.gz MWVCHBLFSLHIFQ-UHFFFAOYSA-N 1 2 365.433 2.669 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccc(OC)cc1 ZINC000122583314 508557704 /nfs/dbraw/zinc/55/77/04/508557704.db2.gz MWVCHBLFSLHIFQ-UHFFFAOYSA-N 1 2 365.433 2.669 20 30 FFEDLO CCOc1ccnc(N2CCC[N@H+](Cc3ccc(F)cc3C#N)CC2)n1 ZINC000135780780 508649392 /nfs/dbraw/zinc/64/93/92/508649392.db2.gz PHANHVJPEAMADS-UHFFFAOYSA-N 1 2 355.417 2.598 20 30 FFEDLO CCOc1ccnc(N2CCC[N@@H+](Cc3ccc(F)cc3C#N)CC2)n1 ZINC000135780780 508649394 /nfs/dbraw/zinc/64/93/94/508649394.db2.gz PHANHVJPEAMADS-UHFFFAOYSA-N 1 2 355.417 2.598 20 30 FFEDLO C=CCNC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000158408891 508699820 /nfs/dbraw/zinc/69/98/20/508699820.db2.gz IBVKPLTZOCRXEI-OAHLLOKOSA-N 1 2 357.376 2.564 20 30 FFEDLO COc1ccc(C#N)cc1CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC000154525830 508801674 /nfs/dbraw/zinc/80/16/74/508801674.db2.gz LOWWFEIBCKKGOU-UHFFFAOYSA-N 1 2 351.450 2.906 20 30 FFEDLO COc1ccc2ccccc2c1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000154748530 508847450 /nfs/dbraw/zinc/84/74/50/508847450.db2.gz LTADEEQDVBJTNX-UHFFFAOYSA-N 1 2 353.466 2.896 20 30 FFEDLO Cc1cc(Br)ccc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000154749894 508848427 /nfs/dbraw/zinc/84/84/27/508848427.db2.gz GAVSIRZHDAIUST-UHFFFAOYSA-N 1 2 366.303 2.805 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000154952114 508890761 /nfs/dbraw/zinc/89/07/61/508890761.db2.gz BYHMOMFKWQERBT-CYBMUJFWSA-N 1 2 356.376 2.750 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)cn1 ZINC000150790263 508893388 /nfs/dbraw/zinc/89/33/88/508893388.db2.gz BMBVMGWKSXXBPY-UHFFFAOYSA-N 1 2 353.407 2.898 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159913814 508911016 /nfs/dbraw/zinc/91/10/16/508911016.db2.gz DICSWNQADXJFBO-HNNXBMFYSA-N 1 2 354.541 2.717 20 30 FFEDLO C=C(C)Cn1c(SCC(=O)Nc2cc[nH+]cc2O)nnc1-c1ccco1 ZINC000125122255 508934132 /nfs/dbraw/zinc/93/41/32/508934132.db2.gz CSOZPJYXKPPBKK-UHFFFAOYSA-N 1 2 371.422 2.946 20 30 FFEDLO CC(C)([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C(=O)NCC1CCCC1 ZINC000155158550 508937062 /nfs/dbraw/zinc/93/70/62/508937062.db2.gz ZHVOZHLKQADADV-UHFFFAOYSA-N 1 2 367.453 2.783 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000120146451 508937996 /nfs/dbraw/zinc/93/79/96/508937996.db2.gz ZCZSQJQKYDXJNM-MSOLQXFVSA-N 1 2 355.825 2.891 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000120146451 508937998 /nfs/dbraw/zinc/93/79/98/508937998.db2.gz ZCZSQJQKYDXJNM-MSOLQXFVSA-N 1 2 355.825 2.891 20 30 FFEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000155265901 508961701 /nfs/dbraw/zinc/96/17/01/508961701.db2.gz PAJVPKTZWSIPHT-DOFAYWRZSA-N 1 2 360.502 2.651 20 30 FFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000155265901 508961706 /nfs/dbraw/zinc/96/17/06/508961706.db2.gz PAJVPKTZWSIPHT-DOFAYWRZSA-N 1 2 360.502 2.651 20 30 FFEDLO C[C@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)C(=O)Nc1cccc(C#N)c1 ZINC000151240373 508984104 /nfs/dbraw/zinc/98/41/04/508984104.db2.gz LEFCFWNIJSYBER-GJZGRUSLSA-N 1 2 360.421 2.817 20 30 FFEDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000151276438 508991206 /nfs/dbraw/zinc/99/12/06/508991206.db2.gz QWFCNSJFGMLCEL-WBMJQRKESA-N 1 2 364.858 2.680 20 30 FFEDLO N#CCC[C@@H](NC(=O)N1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000160624920 509011750 /nfs/dbraw/zinc/01/17/50/509011750.db2.gz PDXWZBBQLNKQPX-HXUWFJFHSA-N 1 2 363.465 2.954 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000133107601 509117839 /nfs/dbraw/zinc/11/78/39/509117839.db2.gz BCVSGPLMPNHVKB-INIZCTEOSA-N 1 2 374.872 2.839 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000133107601 509117842 /nfs/dbraw/zinc/11/78/42/509117842.db2.gz BCVSGPLMPNHVKB-INIZCTEOSA-N 1 2 374.872 2.839 20 30 FFEDLO C#CCSCCNC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000156114557 509129184 /nfs/dbraw/zinc/12/91/84/509129184.db2.gz WLJMXPIKMRKMFC-UHFFFAOYSA-N 1 2 369.490 2.639 20 30 FFEDLO Cn1c(C[N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)nc2ccccc21 ZINC000127013302 509159444 /nfs/dbraw/zinc/15/94/44/509159444.db2.gz WNAVVAZIUDZVMA-QGZVFWFLSA-N 1 2 364.449 2.511 20 30 FFEDLO Cn1c(C[N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)nc2ccccc21 ZINC000127013302 509159446 /nfs/dbraw/zinc/15/94/46/509159446.db2.gz WNAVVAZIUDZVMA-QGZVFWFLSA-N 1 2 364.449 2.511 20 30 FFEDLO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000133438116 509159497 /nfs/dbraw/zinc/15/94/97/509159497.db2.gz BSJLENFRQGKKKU-UHFFFAOYSA-N 1 2 367.453 2.989 20 30 FFEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000121294432 509163789 /nfs/dbraw/zinc/16/37/89/509163789.db2.gz SYFGSTUWGRUSFR-UHFFFAOYSA-N 1 2 365.462 2.894 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000191862591 509218101 /nfs/dbraw/zinc/21/81/01/509218101.db2.gz DEJXZPCDOBTRPL-HXUWFJFHSA-N 1 2 364.424 2.773 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(OC)cc1 ZINC000179120187 509271887 /nfs/dbraw/zinc/27/18/87/509271887.db2.gz OPVPDNWNAAFPEY-UHFFFAOYSA-N 1 2 358.463 2.863 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(OC)cc1 ZINC000179120187 509271894 /nfs/dbraw/zinc/27/18/94/509271894.db2.gz OPVPDNWNAAFPEY-UHFFFAOYSA-N 1 2 358.463 2.863 20 30 FFEDLO CC(C)CCOC1CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000179120044 509272307 /nfs/dbraw/zinc/27/23/07/509272307.db2.gz QNLWKYVIFIWQGY-UHFFFAOYSA-N 1 2 364.511 2.859 20 30 FFEDLO CCc1ccccc1C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000188822951 509280915 /nfs/dbraw/zinc/28/09/15/509280915.db2.gz OIHHKJWZIZRWTQ-UHFFFAOYSA-N 1 2 369.490 2.627 20 30 FFEDLO O=S(=O)(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1cccc(F)c1 ZINC000192101403 509346035 /nfs/dbraw/zinc/34/60/35/509346035.db2.gz SDTVBNLCDALREO-IBGZPJMESA-N 1 2 372.465 2.620 20 30 FFEDLO O=S(=O)(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1cccc(F)c1 ZINC000192101403 509346046 /nfs/dbraw/zinc/34/60/46/509346046.db2.gz SDTVBNLCDALREO-IBGZPJMESA-N 1 2 372.465 2.620 20 30 FFEDLO C=CC[N@@H+](Cc1cc(F)cc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000267145073 509365720 /nfs/dbraw/zinc/36/57/20/509365720.db2.gz KCZMAJJIAPENHL-CQSZACIVSA-N 1 2 362.264 2.763 20 30 FFEDLO C=CC[N@H+](Cc1cc(F)cc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000267145073 509365723 /nfs/dbraw/zinc/36/57/23/509365723.db2.gz KCZMAJJIAPENHL-CQSZACIVSA-N 1 2 362.264 2.763 20 30 FFEDLO C=C(C)[C@H](NC(=O)N(C)CC[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000185846269 509383259 /nfs/dbraw/zinc/38/32/59/509383259.db2.gz SVEABKLDBILSOW-KRWDZBQOSA-N 1 2 353.413 2.556 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000267431887 509478371 /nfs/dbraw/zinc/47/83/71/509478371.db2.gz OBMHLKSSJWACJK-HOCLYGCPSA-N 1 2 372.469 2.826 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000267431887 509478377 /nfs/dbraw/zinc/47/83/77/509478377.db2.gz OBMHLKSSJWACJK-HOCLYGCPSA-N 1 2 372.469 2.826 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000267431889 509478784 /nfs/dbraw/zinc/47/87/84/509478784.db2.gz OBMHLKSSJWACJK-ZBFHGGJFSA-N 1 2 372.469 2.826 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000267431889 509478787 /nfs/dbraw/zinc/47/87/87/509478787.db2.gz OBMHLKSSJWACJK-ZBFHGGJFSA-N 1 2 372.469 2.826 20 30 FFEDLO Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)n1 ZINC000192561316 509555113 /nfs/dbraw/zinc/55/51/13/509555113.db2.gz RITRPXDEEODWQD-HNNXBMFYSA-N 1 2 374.448 2.794 20 30 FFEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000186168629 509557177 /nfs/dbraw/zinc/55/71/77/509557177.db2.gz ZECJWWWEUHLTRW-UHFFFAOYSA-N 1 2 367.424 2.729 20 30 FFEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000186186054 509565026 /nfs/dbraw/zinc/56/50/26/509565026.db2.gz HSOSVLHAHQGNMR-UHFFFAOYSA-N 1 2 368.368 2.973 20 30 FFEDLO CC(C)[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1nc(C2CC2)no1 ZINC000179840510 509645628 /nfs/dbraw/zinc/64/56/28/509645628.db2.gz XEPXPAQNFPVKKQ-INIZCTEOSA-N 1 2 359.474 2.919 20 30 FFEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000173547355 509648919 /nfs/dbraw/zinc/64/89/19/509648919.db2.gz LLWUIVZWVLJTTL-IBGZPJMESA-N 1 2 356.514 2.891 20 30 FFEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000173547355 509648929 /nfs/dbraw/zinc/64/89/29/509648929.db2.gz LLWUIVZWVLJTTL-IBGZPJMESA-N 1 2 356.514 2.891 20 30 FFEDLO Cc1ccc([C@H](CNc2ccc(C#N)c([N+](=O)[O-])c2)[NH+]2CCOCC2)o1 ZINC000267899629 509661287 /nfs/dbraw/zinc/66/12/87/509661287.db2.gz AYQJLZDTFXVHQR-KRWDZBQOSA-N 1 2 356.382 2.853 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](OCCOC)C1 ZINC000189675699 509697743 /nfs/dbraw/zinc/69/77/43/509697743.db2.gz WNBZZZPUEXECMF-HNNXBMFYSA-N 1 2 350.484 2.641 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](OCCOC)C1 ZINC000189675699 509697748 /nfs/dbraw/zinc/69/77/48/509697748.db2.gz WNBZZZPUEXECMF-HNNXBMFYSA-N 1 2 350.484 2.641 20 30 FFEDLO CCO[C@H]1C[C@]([NH2+]CCCOc2cccc(C#N)c2)(C(=O)OC)C1(C)C ZINC000189875376 509804463 /nfs/dbraw/zinc/80/44/63/509804463.db2.gz CWEYFEYZNSAVJW-PXNSSMCTSA-N 1 2 360.454 2.664 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000177010244 509815841 /nfs/dbraw/zinc/81/58/41/509815841.db2.gz ACPYUJGSCFNUMN-NRFANRHFSA-N 1 2 374.444 2.856 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000177010244 509815846 /nfs/dbraw/zinc/81/58/46/509815846.db2.gz ACPYUJGSCFNUMN-NRFANRHFSA-N 1 2 374.444 2.856 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000253159094 509861780 /nfs/dbraw/zinc/86/17/80/509861780.db2.gz QWQXWKSANYJYOR-YRNRMSPPSA-N 1 2 361.486 2.540 20 30 FFEDLO N#Cc1cccnc1-n1cc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000183690484 509929711 /nfs/dbraw/zinc/92/97/11/509929711.db2.gz WNDCFOPCNSXHFP-UHFFFAOYSA-N 1 2 355.361 2.577 20 30 FFEDLO COc1cc(CO[NH+]=C(N)Cc2csc(C)n2)c([N+](=O)[O-])cc1F ZINC000183959246 510057980 /nfs/dbraw/zinc/05/79/80/510057980.db2.gz UTXWSSPFAPAKIJ-UHFFFAOYSA-N 1 2 354.363 2.539 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000245699459 510094206 /nfs/dbraw/zinc/09/42/06/510094206.db2.gz BZJXCQQJADZVAE-MJGOQNOKSA-N 1 2 366.889 2.811 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000245699459 510094210 /nfs/dbraw/zinc/09/42/10/510094210.db2.gz BZJXCQQJADZVAE-MJGOQNOKSA-N 1 2 366.889 2.811 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)COc2ccccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000245729640 510111525 /nfs/dbraw/zinc/11/15/25/510111525.db2.gz YKIDRGSHSRQISI-FXAWDEMLSA-N 1 2 371.387 2.777 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)COc2ccccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000245729640 510111532 /nfs/dbraw/zinc/11/15/32/510111532.db2.gz YKIDRGSHSRQISI-FXAWDEMLSA-N 1 2 371.387 2.777 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177598904 510153304 /nfs/dbraw/zinc/15/33/04/510153304.db2.gz ZTJIYWQPVBXHFH-MRXNPFEDSA-N 1 2 363.483 2.608 20 30 FFEDLO N#CCCCCNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000171475386 510182032 /nfs/dbraw/zinc/18/20/32/510182032.db2.gz UFZAVYLOWMDDIS-UHFFFAOYSA-N 1 2 365.437 2.635 20 30 FFEDLO CC[N@H+](CCCNC(=O)C(=O)Nc1cccc(C)c1C#N)c1ccccc1 ZINC000174599208 510199142 /nfs/dbraw/zinc/19/91/42/510199142.db2.gz QYKFFNROKPIEEO-UHFFFAOYSA-N 1 2 364.449 2.838 20 30 FFEDLO CC[N@@H+](CCCNC(=O)C(=O)Nc1cccc(C)c1C#N)c1ccccc1 ZINC000174599208 510199151 /nfs/dbraw/zinc/19/91/51/510199151.db2.gz QYKFFNROKPIEEO-UHFFFAOYSA-N 1 2 364.449 2.838 20 30 FFEDLO CC(C)(CNc1cc(C#N)ccc1C(F)(F)F)[NH+]1CCS(=O)CC1 ZINC000269592690 510473925 /nfs/dbraw/zinc/47/39/25/510473925.db2.gz IUIJONJBKWLCOF-UHFFFAOYSA-N 1 2 359.417 2.832 20 30 FFEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000191083627 510496807 /nfs/dbraw/zinc/49/68/07/510496807.db2.gz TZMYJRWNQXTJFC-UHFFFAOYSA-N 1 2 354.834 2.574 20 30 FFEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000191083627 510496813 /nfs/dbraw/zinc/49/68/13/510496813.db2.gz TZMYJRWNQXTJFC-UHFFFAOYSA-N 1 2 354.834 2.574 20 30 FFEDLO COc1ccc(C[NH+]2CCN(Cc3noc(C(C)(C)C)n3)CC2)cc1C#N ZINC000269685307 510512973 /nfs/dbraw/zinc/51/29/73/510512973.db2.gz GGBZBZKNRLEOEJ-UHFFFAOYSA-N 1 2 369.469 2.565 20 30 FFEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000191120762 510514293 /nfs/dbraw/zinc/51/42/93/510514293.db2.gz VTORQKCELAINJL-UHFFFAOYSA-N 1 2 373.375 2.737 20 30 FFEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000191120762 510514297 /nfs/dbraw/zinc/51/42/97/510514297.db2.gz VTORQKCELAINJL-UHFFFAOYSA-N 1 2 373.375 2.737 20 30 FFEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccn(CCC#N)n3)c2C1 ZINC000172089921 510538493 /nfs/dbraw/zinc/53/84/93/510538493.db2.gz SMCOTEPGNCPXLI-UHFFFAOYSA-N 1 2 374.448 2.975 20 30 FFEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccn(CCC#N)n3)c2C1 ZINC000172089921 510538501 /nfs/dbraw/zinc/53/85/01/510538501.db2.gz SMCOTEPGNCPXLI-UHFFFAOYSA-N 1 2 374.448 2.975 20 30 FFEDLO Cc1cc(N2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000194841610 510553480 /nfs/dbraw/zinc/55/34/80/510553480.db2.gz HVWGCMKAAMKQKU-UHFFFAOYSA-N 1 2 363.465 2.671 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2cc(C#N)ccc2C)c1C ZINC000172179945 510586114 /nfs/dbraw/zinc/58/61/14/510586114.db2.gz WSFRIFNMYVAZCG-UHFFFAOYSA-N 1 2 359.451 2.708 20 30 FFEDLO CC[N@H+](CCCNC(=O)C(=O)Nc1cccc(C#N)c1C)c1ccccc1 ZINC000178412524 510591956 /nfs/dbraw/zinc/59/19/56/510591956.db2.gz XMEBZKMCGZOXPB-UHFFFAOYSA-N 1 2 364.449 2.838 20 30 FFEDLO CC[N@@H+](CCCNC(=O)C(=O)Nc1cccc(C#N)c1C)c1ccccc1 ZINC000178412524 510591962 /nfs/dbraw/zinc/59/19/62/510591962.db2.gz XMEBZKMCGZOXPB-UHFFFAOYSA-N 1 2 364.449 2.838 20 30 FFEDLO CC(C)Nc1ncccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000266512067 510631403 /nfs/dbraw/zinc/63/14/03/510631403.db2.gz BNSREBWRAXGYHY-UHFFFAOYSA-N 1 2 363.465 2.732 20 30 FFEDLO Cn1cc(CN2CC[NH+](Cc3ccncc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000182044194 510727509 /nfs/dbraw/zinc/72/75/09/510727509.db2.gz DGKCLAJWOZXXST-UHFFFAOYSA-N 1 2 372.476 2.672 20 30 FFEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O)ccc1Cl ZINC000185421771 510841495 /nfs/dbraw/zinc/84/14/95/510841495.db2.gz QYCSNDOIWAIBGI-SHACYNPGSA-N 1 2 369.918 2.594 20 30 FFEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)C[S@](C)=O)ccc1Cl ZINC000185421771 510841497 /nfs/dbraw/zinc/84/14/97/510841497.db2.gz QYCSNDOIWAIBGI-SHACYNPGSA-N 1 2 369.918 2.594 20 30 FFEDLO CC[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)C1 ZINC000329911005 510875066 /nfs/dbraw/zinc/87/50/66/510875066.db2.gz NNQXILHOYYHHPM-QZWWFDLISA-N 1 2 365.497 2.805 20 30 FFEDLO O=C(NCc1ccc(Br)s1)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329948791 510884066 /nfs/dbraw/zinc/88/40/66/510884066.db2.gz KYZKZMQXBUUIHJ-SNVBAGLBSA-N 1 2 369.288 2.973 20 30 FFEDLO CCN1CCN(C(=O)NC[C@H](C)c2nc(C)cs2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329972375 510889890 /nfs/dbraw/zinc/88/98/90/510889890.db2.gz WCSQPVZRQPIOEI-GXTWGEPZSA-N 1 2 362.503 2.571 20 30 FFEDLO O=C(NC[C@@H]1CCC2(CCCCC2)O1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000330051890 510907557 /nfs/dbraw/zinc/90/75/57/510907557.db2.gz OEIGEKITJUMNCW-MSOLQXFVSA-N 1 2 365.518 2.579 20 30 FFEDLO C[C@@H]1CN(c2ccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)cn2)C[C@@H](C)O1 ZINC000330090080 510914024 /nfs/dbraw/zinc/91/40/24/510914024.db2.gz PEKCPTHASAHIOU-RBSFLKMASA-N 1 2 355.442 2.742 20 30 FFEDLO O=C(C[N@@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1nc2c(s1)CCCC2 ZINC000330174909 510930120 /nfs/dbraw/zinc/93/01/20/510930120.db2.gz IRAUASZUAYWNHC-GXTWGEPZSA-N 1 2 353.513 2.816 20 30 FFEDLO O=C(C[N@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1nc2c(s1)CCCC2 ZINC000330174909 510930124 /nfs/dbraw/zinc/93/01/24/510930124.db2.gz IRAUASZUAYWNHC-GXTWGEPZSA-N 1 2 353.513 2.816 20 30 FFEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000330262791 510950639 /nfs/dbraw/zinc/95/06/39/510950639.db2.gz VQOZITGAYFEHSN-GDBMZVCRSA-N 1 2 359.474 2.723 20 30 FFEDLO C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[C@H]1OCCc2sccc21 ZINC000330272350 510953252 /nfs/dbraw/zinc/95/32/52/510953252.db2.gz XMYRGPLXBDXKGL-HEHGZKQESA-N 1 2 360.483 2.887 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2cnc3c(c2)CCCC3)CCO1 ZINC000330319452 510963248 /nfs/dbraw/zinc/96/32/48/510963248.db2.gz DFDVKAQTCCGVTA-KSSFIOAISA-N 1 2 355.442 2.940 20 30 FFEDLO CCN1CCN(C(=O)Nc2ccc(C)c(OC)c2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000330340309 510969620 /nfs/dbraw/zinc/96/96/20/510969620.db2.gz XTNYDXWZKCNTPL-INIZCTEOSA-N 1 2 357.458 2.959 20 30 FFEDLO CC(C)(C)c1nnc(CN2CC[NH+](CC(=O)NC3CCCCC3)CC2)[nH]1 ZINC000330340474 510969876 /nfs/dbraw/zinc/96/98/76/510969876.db2.gz XYZZENLAGBCKJK-UHFFFAOYSA-N 1 2 362.522 2.509 20 30 FFEDLO C[C@H](C#N)CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000360941577 510969894 /nfs/dbraw/zinc/96/98/94/510969894.db2.gz QDAPIKYEUNLJKR-KGLIPLIRSA-N 1 2 350.413 2.730 20 30 FFEDLO C[C@H](C#N)CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000360941577 510969898 /nfs/dbraw/zinc/96/98/98/510969898.db2.gz QDAPIKYEUNLJKR-KGLIPLIRSA-N 1 2 350.413 2.730 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285599035 510972125 /nfs/dbraw/zinc/97/21/25/510972125.db2.gz PLKSUCUDUYECAW-WBMJQRKESA-N 1 2 355.360 2.665 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285599035 510972127 /nfs/dbraw/zinc/97/21/27/510972127.db2.gz PLKSUCUDUYECAW-WBMJQRKESA-N 1 2 355.360 2.665 20 30 FFEDLO CCN1CCN(C(=O)Nc2cc(OC)ccc2Cl)C[C@H]1c1[nH]cc[nH+]1 ZINC000330352659 510973506 /nfs/dbraw/zinc/97/35/06/510973506.db2.gz NOWNDVGNUFODOW-HNNXBMFYSA-N 1 2 363.849 2.996 20 30 FFEDLO CC(=O)Nc1ccc(F)c(NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c1 ZINC000330353795 510973549 /nfs/dbraw/zinc/97/35/49/510973549.db2.gz OWEVNUYMLVRXOB-INIZCTEOSA-N 1 2 374.420 2.701 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285619310 510980842 /nfs/dbraw/zinc/98/08/42/510980842.db2.gz QPLKTLCFEDDWIL-LRDDRELGSA-N 1 2 355.360 2.665 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285619310 510980848 /nfs/dbraw/zinc/98/08/48/510980848.db2.gz QPLKTLCFEDDWIL-LRDDRELGSA-N 1 2 355.360 2.665 20 30 FFEDLO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)no1 ZINC000330500873 510987672 /nfs/dbraw/zinc/98/76/72/510987672.db2.gz ROYIOKIIRBDVKR-CLCXKQKWSA-N 1 2 361.490 2.815 20 30 FFEDLO CC(C)c1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)no1 ZINC000330500873 510987675 /nfs/dbraw/zinc/98/76/75/510987675.db2.gz ROYIOKIIRBDVKR-CLCXKQKWSA-N 1 2 361.490 2.815 20 30 FFEDLO COc1cc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)ccc1C#N ZINC000282467829 510990176 /nfs/dbraw/zinc/99/01/76/510990176.db2.gz WAJHEHZWJJIQDQ-DLBZAZTESA-N 1 2 358.463 2.953 20 30 FFEDLO COc1cc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)ccc1C#N ZINC000282467829 510990181 /nfs/dbraw/zinc/99/01/81/510990181.db2.gz WAJHEHZWJJIQDQ-DLBZAZTESA-N 1 2 358.463 2.953 20 30 FFEDLO C[C@@H](C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1)C(C)(C)C ZINC000330830512 511021156 /nfs/dbraw/zinc/02/11/56/511021156.db2.gz XQDHFNIWWMEXHK-HNNXBMFYSA-N 1 2 363.477 2.957 20 30 FFEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000286831547 511034276 /nfs/dbraw/zinc/03/42/76/511034276.db2.gz JPDZJSDBPRNWSD-UHFFFAOYSA-N 1 2 350.818 2.547 20 30 FFEDLO Cc1ccc(Cl)c(NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)c1C ZINC000331252366 511054643 /nfs/dbraw/zinc/05/46/43/511054643.db2.gz UKNUWJXFLJZGMH-ZDUSSCGKSA-N 1 2 368.865 2.670 20 30 FFEDLO Cc1ccc(Cl)c(NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)c1C ZINC000331252366 511054648 /nfs/dbraw/zinc/05/46/48/511054648.db2.gz UKNUWJXFLJZGMH-ZDUSSCGKSA-N 1 2 368.865 2.670 20 30 FFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000331316581 511060452 /nfs/dbraw/zinc/06/04/52/511060452.db2.gz DCNULNHCMDGVDX-MFKMUULPSA-N 1 2 369.206 2.512 20 30 FFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC000331353359 511063931 /nfs/dbraw/zinc/06/39/31/511063931.db2.gz OXRFFAAMNXSNSF-PWSUYJOCSA-N 1 2 369.206 2.512 20 30 FFEDLO COc1cccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1OC(F)F ZINC000271039948 511066075 /nfs/dbraw/zinc/06/60/75/511066075.db2.gz MHGPWTDEMWWXGE-UHFFFAOYSA-N 1 2 374.391 2.885 20 30 FFEDLO Cn1nccc1[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000361637349 511074328 /nfs/dbraw/zinc/07/43/28/511074328.db2.gz TWXBZONJKIZBFD-CQSZACIVSA-N 1 2 357.845 2.763 20 30 FFEDLO Cn1nccc1[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000361637349 511074334 /nfs/dbraw/zinc/07/43/34/511074334.db2.gz TWXBZONJKIZBFD-CQSZACIVSA-N 1 2 357.845 2.763 20 30 FFEDLO N#CC1(CS(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCCCC1 ZINC000331967682 511076022 /nfs/dbraw/zinc/07/60/22/511076022.db2.gz QMAJFYGHSXMXRE-UHFFFAOYSA-N 1 2 366.874 2.881 20 30 FFEDLO C=C(C)CN(CC)C(=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000288842302 511088022 /nfs/dbraw/zinc/08/80/22/511088022.db2.gz PRLXVLRSOPSLAE-UHFFFAOYSA-N 1 2 368.481 2.557 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)n1 ZINC000279493046 511102968 /nfs/dbraw/zinc/10/29/68/511102968.db2.gz YDMCUJHTUJIZDO-UHFFFAOYSA-N 1 2 363.421 2.657 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)n1 ZINC000279493046 511102973 /nfs/dbraw/zinc/10/29/73/511102973.db2.gz YDMCUJHTUJIZDO-UHFFFAOYSA-N 1 2 363.421 2.657 20 30 FFEDLO CC[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)[C@@H](C)CS(C)(=O)=O ZINC000271179329 511110380 /nfs/dbraw/zinc/11/03/80/511110380.db2.gz LRNYECVULJJQIQ-HNNXBMFYSA-N 1 2 368.499 2.633 20 30 FFEDLO CC[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)[C@@H](C)CS(C)(=O)=O ZINC000271179329 511110385 /nfs/dbraw/zinc/11/03/85/511110385.db2.gz LRNYECVULJJQIQ-HNNXBMFYSA-N 1 2 368.499 2.633 20 30 FFEDLO Cc1[nH+]ccn1-c1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cn1 ZINC000364943166 511168226 /nfs/dbraw/zinc/16/82/26/511168226.db2.gz NOTMOJFQXGFDDS-UHFFFAOYSA-N 1 2 373.825 2.902 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCCCNC1=O ZINC000365169562 511296887 /nfs/dbraw/zinc/29/68/87/511296887.db2.gz WRQRLFYDMGVBOK-HOCLYGCPSA-N 1 2 374.510 2.620 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000365169562 511296894 /nfs/dbraw/zinc/29/68/94/511296894.db2.gz WRQRLFYDMGVBOK-HOCLYGCPSA-N 1 2 374.510 2.620 20 30 FFEDLO C=CCOc1cccc(NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)c1 ZINC000298475847 511297093 /nfs/dbraw/zinc/29/70/93/511297093.db2.gz PFDSCAOHHNARDQ-INIZCTEOSA-N 1 2 358.442 2.866 20 30 FFEDLO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ncn(C)n1 ZINC000298605362 511346250 /nfs/dbraw/zinc/34/62/50/511346250.db2.gz SQHOPZPYQIBPKB-NEPJUHHUSA-N 1 2 372.498 2.552 20 30 FFEDLO N#Cc1ccc(CNc2ccc(N3CCN(C(=O)C4CC4)CC3)[nH+]c2)cc1 ZINC000271953722 511382620 /nfs/dbraw/zinc/38/26/20/511382620.db2.gz RRNUTEYAXPOILE-UHFFFAOYSA-N 1 2 361.449 2.624 20 30 FFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(CCC#N)Cc1cccnc1)C2 ZINC000365400670 511426994 /nfs/dbraw/zinc/42/69/94/511426994.db2.gz BLGVVUPJKOBISW-MRXNPFEDSA-N 1 2 351.454 2.975 20 30 FFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(CCC#N)Cc1cccnc1)CC2 ZINC000365400670 511426999 /nfs/dbraw/zinc/42/69/99/511426999.db2.gz BLGVVUPJKOBISW-MRXNPFEDSA-N 1 2 351.454 2.975 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)cc1 ZINC000280448320 511470059 /nfs/dbraw/zinc/47/00/59/511470059.db2.gz NMNZIAIPUDPOED-BBTUJRGHSA-N 1 2 371.481 2.510 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)cc1 ZINC000280448320 511470063 /nfs/dbraw/zinc/47/00/63/511470063.db2.gz NMNZIAIPUDPOED-BBTUJRGHSA-N 1 2 371.481 2.510 20 30 FFEDLO Cc1cc(C)c(NC(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(C)c1 ZINC000299103507 511515989 /nfs/dbraw/zinc/51/59/89/511515989.db2.gz WVDWXSUHCBEYDY-UHFFFAOYSA-N 1 2 363.465 2.639 20 30 FFEDLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(F)c1 ZINC000292237395 511516535 /nfs/dbraw/zinc/51/65/35/511516535.db2.gz QAMBFQMJGKOIBS-ZBFHGGJFSA-N 1 2 368.412 2.881 20 30 FFEDLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(F)c1 ZINC000292237395 511516539 /nfs/dbraw/zinc/51/65/39/511516539.db2.gz QAMBFQMJGKOIBS-ZBFHGGJFSA-N 1 2 368.412 2.881 20 30 FFEDLO Cc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c2nccc(C)c2c1 ZINC000283850299 511520480 /nfs/dbraw/zinc/52/04/80/511520480.db2.gz HYGFHYZFIJYGRT-UHFFFAOYSA-N 1 2 366.465 2.540 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000273306277 511522215 /nfs/dbraw/zinc/52/22/15/511522215.db2.gz LQQDOSSEGXFSOK-TZMCWYRMSA-N 1 2 373.432 2.843 20 30 FFEDLO C=CCn1c([C@H]2CCCO2)nnc1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000296011504 511588279 /nfs/dbraw/zinc/58/82/79/511588279.db2.gz RBNKQZJGKUKMLE-LSDHHAIUSA-N 1 2 374.514 2.655 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)cc1 ZINC000299381524 511615721 /nfs/dbraw/zinc/61/57/21/511615721.db2.gz WDWDQFOLUKHSGK-UHFFFAOYSA-N 1 2 368.368 2.564 20 30 FFEDLO N#CCCOCCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000292567419 511644542 /nfs/dbraw/zinc/64/45/42/511644542.db2.gz CGCJJZDCOATZSY-UHFFFAOYSA-N 1 2 371.510 2.945 20 30 FFEDLO COc1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc(OC)c1O ZINC000284294965 511672472 /nfs/dbraw/zinc/67/24/72/511672472.db2.gz UPGOOZLVTOVWMR-SFHVURJKSA-N 1 2 367.449 2.792 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2csc(-c3ccc(O)c(OC)c3)n2)C1=O ZINC000281224525 511765612 /nfs/dbraw/zinc/76/56/12/511765612.db2.gz DZKGCKCZOCQGGS-HNNXBMFYSA-N 1 2 373.478 2.743 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2csc(-c3ccc(O)c(OC)c3)n2)C1=O ZINC000281224525 511765613 /nfs/dbraw/zinc/76/56/13/511765613.db2.gz DZKGCKCZOCQGGS-HNNXBMFYSA-N 1 2 373.478 2.743 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000292969074 511790690 /nfs/dbraw/zinc/79/06/90/511790690.db2.gz HBLBJRGNSNEWPA-UHFFFAOYSA-N 1 2 364.449 2.709 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1=O ZINC000281370439 511821368 /nfs/dbraw/zinc/82/13/68/511821368.db2.gz OMQRMYJDHMVTKX-HZPDHXFCSA-N 1 2 354.372 2.866 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1=O ZINC000281370439 511821375 /nfs/dbraw/zinc/82/13/75/511821375.db2.gz OMQRMYJDHMVTKX-HZPDHXFCSA-N 1 2 354.372 2.866 20 30 FFEDLO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)COc1ccc(C#N)cc1)CCCC2 ZINC000284692468 511827852 /nfs/dbraw/zinc/82/78/52/511827852.db2.gz SONSKIWKXWFDPO-LJQANCHMSA-N 1 2 364.449 2.913 20 30 FFEDLO CCCCn1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)n1 ZINC000274570597 511877582 /nfs/dbraw/zinc/87/75/82/511877582.db2.gz HGDRBBRYENORPJ-UHFFFAOYSA-N 1 2 365.481 2.821 20 30 FFEDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)NC[C@H]1CCCO1)CC2 ZINC000328646676 511905673 /nfs/dbraw/zinc/90/56/73/511905673.db2.gz SUJMOGYQYBAQOE-HUUCEWRRSA-N 1 2 364.515 2.522 20 30 FFEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)NC[C@H]1CCCO1)CC2 ZINC000328646676 511905676 /nfs/dbraw/zinc/90/56/76/511905676.db2.gz SUJMOGYQYBAQOE-HUUCEWRRSA-N 1 2 364.515 2.522 20 30 FFEDLO CC(C)(C(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)[NH+]1CCOCC1 ZINC000328684823 511915324 /nfs/dbraw/zinc/91/53/24/511915324.db2.gz PVMJJHQJZOHQPD-CYBMUJFWSA-N 1 2 365.861 2.513 20 30 FFEDLO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1cn2c(n1)CCCC2 ZINC000328733472 511923040 /nfs/dbraw/zinc/92/30/40/511923040.db2.gz XZTWKJPXAQODHU-QGZVFWFLSA-N 1 2 354.454 2.598 20 30 FFEDLO Cn1cc2c(n1)CCC[C@H]2NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000328802916 511933913 /nfs/dbraw/zinc/93/39/13/511933913.db2.gz MOJUWNWQTFZSCS-CQSZACIVSA-N 1 2 358.833 2.802 20 30 FFEDLO C[C@H]1Oc2ccc(NC(=O)N3CC[C@H](c4[nH+]ccn4C)C3)cc2NC1=O ZINC000328870839 511944321 /nfs/dbraw/zinc/94/43/21/511944321.db2.gz PRQQGGIEZCZQDP-NEPJUHHUSA-N 1 2 355.398 2.824 20 30 FFEDLO O=C(Cc1ccc2c(c1)CCC2)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000328916421 511950320 /nfs/dbraw/zinc/95/03/20/511950320.db2.gz KEELDONUEVYBBH-UHFFFAOYSA-N 1 2 369.509 2.619 20 30 FFEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000328924084 511951156 /nfs/dbraw/zinc/95/11/56/511951156.db2.gz DHWUPNIONDLKDY-RKDXNWHRSA-N 1 2 353.348 2.771 20 30 FFEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000328924084 511951161 /nfs/dbraw/zinc/95/11/61/511951161.db2.gz DHWUPNIONDLKDY-RKDXNWHRSA-N 1 2 353.348 2.771 20 30 FFEDLO C[C@H]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000293407252 511953177 /nfs/dbraw/zinc/95/31/77/511953177.db2.gz OPLSQYNXUIWKDP-SMDDNHRTSA-N 1 2 363.343 2.892 20 30 FFEDLO O=C(NC1CCN(C(=O)c2ccccc2)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328956335 511956450 /nfs/dbraw/zinc/95/64/50/511956450.db2.gz ZGODQFOMLFCFEV-MRXNPFEDSA-N 1 2 352.438 2.707 20 30 FFEDLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)NCC1(c2ccccc2)CC1 ZINC000328973956 511960203 /nfs/dbraw/zinc/96/02/03/511960203.db2.gz PMLIQLBWIJQTTE-OTWHNJEPSA-N 1 2 358.482 2.537 20 30 FFEDLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)NCC1(c2ccccc2)CC1 ZINC000328973956 511960204 /nfs/dbraw/zinc/96/02/04/511960204.db2.gz PMLIQLBWIJQTTE-OTWHNJEPSA-N 1 2 358.482 2.537 20 30 FFEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000281771734 511960809 /nfs/dbraw/zinc/96/08/09/511960809.db2.gz IEAVIXXFXOJXKD-LJQANCHMSA-N 1 2 355.482 2.671 20 30 FFEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000281771734 511960815 /nfs/dbraw/zinc/96/08/15/511960815.db2.gz IEAVIXXFXOJXKD-LJQANCHMSA-N 1 2 355.482 2.671 20 30 FFEDLO Cc1noc([C@H]([NH2+]CC(=O)N[C@@H]2CCCC[C@@H]2C)C2CCOCC2)n1 ZINC000328984311 511960970 /nfs/dbraw/zinc/96/09/70/511960970.db2.gz STPQSEIVHPZGHT-XGWLTEMNSA-N 1 2 350.463 2.971 20 30 FFEDLO CC(C)c1ccc(CCNC(=O)C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)cc1 ZINC000328997809 511964401 /nfs/dbraw/zinc/96/44/01/511964401.db2.gz FXIOCXCCOUAZRB-MSOLQXFVSA-N 1 2 358.486 2.611 20 30 FFEDLO CC(C)c1ccc(CCNC(=O)C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)cc1 ZINC000328997809 511964408 /nfs/dbraw/zinc/96/44/08/511964408.db2.gz FXIOCXCCOUAZRB-MSOLQXFVSA-N 1 2 358.486 2.611 20 30 FFEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cnc3ccc(Cl)cn23)CC1 ZINC000329039085 511971878 /nfs/dbraw/zinc/97/18/78/511971878.db2.gz ZUJSDSPQGDYHRD-CYBMUJFWSA-N 1 2 361.877 2.613 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)[C@@H]2CCCCS2)CCC(=O)N1C1CC1 ZINC000329040925 511972354 /nfs/dbraw/zinc/97/23/54/511972354.db2.gz SRCNRQNVLVXCIM-UKPHBRMFSA-N 1 2 362.499 2.857 20 30 FFEDLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329093246 511982275 /nfs/dbraw/zinc/98/22/75/511982275.db2.gz XIGDQABGHDQAMY-ZEEWZRGFSA-N 1 2 372.469 2.576 20 30 FFEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC000329246583 512013026 /nfs/dbraw/zinc/01/30/26/512013026.db2.gz VUKVRQDCVGHDCH-INIZCTEOSA-N 1 2 374.485 2.690 20 30 FFEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC000329246583 512013027 /nfs/dbraw/zinc/01/30/27/512013027.db2.gz VUKVRQDCVGHDCH-INIZCTEOSA-N 1 2 374.485 2.690 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccnc(Br)c3)C2)nc1 ZINC000293633799 512034099 /nfs/dbraw/zinc/03/40/99/512034099.db2.gz RFZXYDONKRNURP-CQSZACIVSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccnc(Br)c3)C2)nc1 ZINC000293633799 512034106 /nfs/dbraw/zinc/03/41/06/512034106.db2.gz RFZXYDONKRNURP-CQSZACIVSA-N 1 2 359.227 2.764 20 30 FFEDLO Cc1noc([C@H](NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C2CCOCC2)n1 ZINC000329367253 512034829 /nfs/dbraw/zinc/03/48/29/512034829.db2.gz HHJMHGVFACJVSV-LSDHHAIUSA-N 1 2 374.445 2.710 20 30 FFEDLO O=C(C[NH+]1CCN(c2ccc(F)cn2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000329394342 512039735 /nfs/dbraw/zinc/03/97/35/512039735.db2.gz SWEPJYQMXSSPFJ-QGZVFWFLSA-N 1 2 370.428 2.823 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000329415644 512042165 /nfs/dbraw/zinc/04/21/65/512042165.db2.gz CXFSGDOHTZDYBG-OLZOCXBDSA-N 1 2 352.504 2.781 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)NC[C@H](O)C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329422817 512042924 /nfs/dbraw/zinc/04/29/24/512042924.db2.gz FEIAFTPHEFPKIY-YQQAZPJKSA-N 1 2 371.403 2.514 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)NC[C@H](O)C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329422817 512042931 /nfs/dbraw/zinc/04/29/31/512042931.db2.gz FEIAFTPHEFPKIY-YQQAZPJKSA-N 1 2 371.403 2.514 20 30 FFEDLO Cc1noc([C@@H]2CCCN2C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)n1 ZINC000329439863 512047350 /nfs/dbraw/zinc/04/73/50/512047350.db2.gz MTOIBFQQPQANII-KBPBESRZSA-N 1 2 372.473 2.938 20 30 FFEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1C[C@H](C)OC(C)(C)C1)C1CCOCC1 ZINC000329445066 512048585 /nfs/dbraw/zinc/04/85/85/512048585.db2.gz KSSZPKJINCEUQR-GOEBONIOSA-N 1 2 364.490 2.784 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2CO)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329448871 512048856 /nfs/dbraw/zinc/04/88/56/512048856.db2.gz LPKKRVFGJPROHB-NUTKFTJISA-N 1 2 371.403 2.610 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2CO)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329448871 512048861 /nfs/dbraw/zinc/04/88/61/512048861.db2.gz LPKKRVFGJPROHB-NUTKFTJISA-N 1 2 371.403 2.610 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000329506466 512059284 /nfs/dbraw/zinc/05/92/84/512059284.db2.gz ZPJZLLHJEFANHC-WBVHZDCISA-N 1 2 374.485 2.744 20 30 FFEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCSC[C@@H](C)C1)C1CCOCC1 ZINC000329510118 512061240 /nfs/dbraw/zinc/06/12/40/512061240.db2.gz XJNGGIODESSPDB-GOEBONIOSA-N 1 2 366.531 2.970 20 30 FFEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@H]2c2nc(C)cs2)C1 ZINC000329533404 512064853 /nfs/dbraw/zinc/06/48/53/512064853.db2.gz XZEYQABXMOITJD-CVEARBPZSA-N 1 2 364.515 2.946 20 30 FFEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCCC[C@H]2c2nc(C)cs2)C1 ZINC000329533404 512064858 /nfs/dbraw/zinc/06/48/58/512064858.db2.gz XZEYQABXMOITJD-CVEARBPZSA-N 1 2 364.515 2.946 20 30 FFEDLO O=C(C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000329610751 512075983 /nfs/dbraw/zinc/07/59/83/512075983.db2.gz CCAXDTGFTOPOOQ-MRXNPFEDSA-N 1 2 355.442 2.724 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000329631137 512079589 /nfs/dbraw/zinc/07/95/89/512079589.db2.gz VRJYDVXPZPQOOH-PXAZEXFGSA-N 1 2 360.845 2.908 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000329631137 512079594 /nfs/dbraw/zinc/07/95/94/512079594.db2.gz VRJYDVXPZPQOOH-PXAZEXFGSA-N 1 2 360.845 2.908 20 30 FFEDLO C[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)[C@H](c2ccccc2)C1 ZINC000329658708 512083056 /nfs/dbraw/zinc/08/30/56/512083056.db2.gz NLPAWKYWKISOOR-SFHVURJKSA-N 1 2 361.511 2.779 20 30 FFEDLO C[N@H+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)[C@H](c2ccccc2)C1 ZINC000329658708 512083058 /nfs/dbraw/zinc/08/30/58/512083058.db2.gz NLPAWKYWKISOOR-SFHVURJKSA-N 1 2 361.511 2.779 20 30 FFEDLO CC(C)[C@@H]1C[C@H](CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCO1 ZINC000329717048 512090016 /nfs/dbraw/zinc/09/00/16/512090016.db2.gz XEKAPXVDJCQNKD-ZIFCJYIRSA-N 1 2 370.559 2.992 20 30 FFEDLO CCn1cc(Br)c(=O)c(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000329768565 512094906 /nfs/dbraw/zinc/09/49/06/512094906.db2.gz DTRJETXONLTFQQ-SNVBAGLBSA-N 1 2 365.231 2.678 20 30 FFEDLO COc1ccc([C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)c2[nH+]ccn2C)cc1 ZINC000329779251 512096805 /nfs/dbraw/zinc/09/68/05/512096805.db2.gz LUJQPXCIJMAVNL-LEUOFYLZSA-N 1 2 371.437 2.526 20 30 FFEDLO Cc1nn(C)c(C)c1OCC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329820744 512101057 /nfs/dbraw/zinc/10/10/57/512101057.db2.gz YIXPXELOVNVKQE-AWEZNQCLSA-N 1 2 359.474 2.881 20 30 FFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000367340616 512452580 /nfs/dbraw/zinc/45/25/80/512452580.db2.gz ZGHLZGLEXSNJAN-MRXNPFEDSA-N 1 2 369.444 2.693 20 30 FFEDLO Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000375699261 512462638 /nfs/dbraw/zinc/46/26/38/512462638.db2.gz XHKMQDRNAJMZQT-GOSISDBHSA-N 1 2 362.477 2.952 20 30 FFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000377916598 512510572 /nfs/dbraw/zinc/51/05/72/512510572.db2.gz QUHVCEIDJMYWLW-ROUUACIJSA-N 1 2 366.465 2.623 20 30 FFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000377916598 512510576 /nfs/dbraw/zinc/51/05/76/512510576.db2.gz QUHVCEIDJMYWLW-ROUUACIJSA-N 1 2 366.465 2.623 20 30 FFEDLO N#Cc1ccc(N2CC[C@H](C(=O)N3CCC[C@@H]3c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000367840823 512685322 /nfs/dbraw/zinc/68/53/22/512685322.db2.gz ILUJKETYZKNNEK-WMLDXEAASA-N 1 2 353.401 2.610 20 30 FFEDLO Cc1ccsc1CNC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374290743 512750178 /nfs/dbraw/zinc/75/01/78/512750178.db2.gz GFXOOJXYJPZEKI-UHFFFAOYSA-N 1 2 354.479 2.625 20 30 FFEDLO C=CCOc1ccc(CNC(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000376525688 512858123 /nfs/dbraw/zinc/85/81/23/512858123.db2.gz GJJWNLQKWHSPPL-GOSISDBHSA-N 1 2 369.469 2.563 20 30 FFEDLO Cc1nn2c(C[NH+]3CCC(C#N)(c4ccccn4)CC3)c(C)nc2s1 ZINC000376649550 512918347 /nfs/dbraw/zinc/91/83/47/512918347.db2.gz VSLDXBCWTJPEOT-UHFFFAOYSA-N 1 2 352.467 2.860 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000412043845 512927592 /nfs/dbraw/zinc/92/75/92/512927592.db2.gz PTSPKGAOTUZHOG-HIFRSBDPSA-N 1 2 359.499 2.567 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000412043845 512927597 /nfs/dbraw/zinc/92/75/97/512927597.db2.gz PTSPKGAOTUZHOG-HIFRSBDPSA-N 1 2 359.499 2.567 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000412043845 512927601 /nfs/dbraw/zinc/92/76/01/512927601.db2.gz PTSPKGAOTUZHOG-HIFRSBDPSA-N 1 2 359.499 2.567 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000412043845 512927605 /nfs/dbraw/zinc/92/76/05/512927605.db2.gz PTSPKGAOTUZHOG-HIFRSBDPSA-N 1 2 359.499 2.567 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000412043845 512927608 /nfs/dbraw/zinc/92/76/08/512927608.db2.gz PTSPKGAOTUZHOG-HIFRSBDPSA-N 1 2 359.499 2.567 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000412043845 512927613 /nfs/dbraw/zinc/92/76/13/512927613.db2.gz PTSPKGAOTUZHOG-HIFRSBDPSA-N 1 2 359.499 2.567 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)nc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374661998 512943137 /nfs/dbraw/zinc/94/31/37/512943137.db2.gz JTYHZUUEZQWJFZ-FUHWJXTLSA-N 1 2 374.366 2.936 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)nc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374661998 512943140 /nfs/dbraw/zinc/94/31/40/512943140.db2.gz JTYHZUUEZQWJFZ-FUHWJXTLSA-N 1 2 374.366 2.936 20 30 FFEDLO C=CCOc1ccc(CNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000376720593 512957503 /nfs/dbraw/zinc/95/75/03/512957503.db2.gz DUTVJOOJPYSILS-UHFFFAOYSA-N 1 2 363.421 2.832 20 30 FFEDLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000407973634 512977486 /nfs/dbraw/zinc/97/74/86/512977486.db2.gz YUFFSEAEQGABFS-MRXNPFEDSA-N 1 2 358.461 2.610 20 30 FFEDLO N#Cc1nc(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[nH]c1C#N ZINC000368593795 513015739 /nfs/dbraw/zinc/01/57/39/513015739.db2.gz UOEVHAFRGMSZTP-ZDUSSCGKSA-N 1 2 363.425 2.598 20 30 FFEDLO C=CCC[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1)c1ccccc1 ZINC000412373560 513056439 /nfs/dbraw/zinc/05/64/39/513056439.db2.gz SCWRWEFGAUURCN-MJGOQNOKSA-N 1 2 358.482 2.738 20 30 FFEDLO C=CCC[C@H](C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1)c1ccccc1 ZINC000412373560 513056441 /nfs/dbraw/zinc/05/64/41/513056441.db2.gz SCWRWEFGAUURCN-MJGOQNOKSA-N 1 2 358.482 2.738 20 30 FFEDLO C=CCC1(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CCOCC1 ZINC000424541330 513176552 /nfs/dbraw/zinc/17/65/52/513176552.db2.gz JUTAKEBOXYTNEZ-UHFFFAOYSA-N 1 2 358.482 2.583 20 30 FFEDLO N#C[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1ccccc1F ZINC000428799824 513195621 /nfs/dbraw/zinc/19/56/21/513195621.db2.gz FGEFDUCLPZYZOD-LJQANCHMSA-N 1 2 353.397 2.653 20 30 FFEDLO N#Cc1cccc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000450496238 513221189 /nfs/dbraw/zinc/22/11/89/513221189.db2.gz CXKKGLBVEKICEP-MOPGFXCFSA-N 1 2 364.405 2.556 20 30 FFEDLO N#Cc1cccc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000450496238 513221190 /nfs/dbraw/zinc/22/11/90/513221190.db2.gz CXKKGLBVEKICEP-MOPGFXCFSA-N 1 2 364.405 2.556 20 30 FFEDLO C=CCCn1cc(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)nn1 ZINC000424710948 513249836 /nfs/dbraw/zinc/24/98/36/513249836.db2.gz PKPPNKBPVVFJAK-UHFFFAOYSA-N 1 2 364.453 2.614 20 30 FFEDLO CC[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)c1[nH]cc[nH+]1 ZINC000450674786 513299374 /nfs/dbraw/zinc/29/93/74/513299374.db2.gz SQZVKZVSIJMUJZ-CYBMUJFWSA-N 1 2 363.215 2.690 20 30 FFEDLO C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@H]1C(=O)OC(C)(C)C ZINC000425519390 513617686 /nfs/dbraw/zinc/61/76/86/513617686.db2.gz GGYDZKIRKZAHQB-DNVCBOLYSA-N 1 2 371.481 2.617 20 30 FFEDLO C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)[C@H]1C(=O)OC(C)(C)C ZINC000425519390 513617689 /nfs/dbraw/zinc/61/76/89/513617689.db2.gz GGYDZKIRKZAHQB-DNVCBOLYSA-N 1 2 371.481 2.617 20 30 FFEDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451370753 513705997 /nfs/dbraw/zinc/70/59/97/513705997.db2.gz DBAZIXIFCLZECU-UHFFFAOYSA-N 1 2 366.874 2.737 20 30 FFEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000425841657 513770926 /nfs/dbraw/zinc/77/09/26/513770926.db2.gz INJDPYOBNMMKAU-XYJFISCASA-N 1 2 356.470 2.776 20 30 FFEDLO C[C@H](C#N)S(=O)(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000416450147 513777576 /nfs/dbraw/zinc/77/75/76/513777576.db2.gz XFNJTUIXTIURIK-OAHLLOKOSA-N 1 2 367.474 2.616 20 30 FFEDLO Cc1[nH+]c2cc(CNS(=O)(=O)c3ccc(C#N)o3)ccc2n1C1CC1 ZINC000416482348 513795296 /nfs/dbraw/zinc/79/52/96/513795296.db2.gz XYEDCINPEPZSOM-UHFFFAOYSA-N 1 2 356.407 2.623 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)NCC3(CC#N)CC3)CC2)cc1 ZINC000431052441 513815802 /nfs/dbraw/zinc/81/58/02/513815802.db2.gz XHEBUGPGJMHQSH-UHFFFAOYSA-N 1 2 356.470 2.606 20 30 FFEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCC3(C#N)CCC3)CC2)c1 ZINC000419624055 513864465 /nfs/dbraw/zinc/86/44/65/513864465.db2.gz JRHLNYZEPSURII-INIZCTEOSA-N 1 2 356.470 2.777 20 30 FFEDLO CCc1oc(C(=O)OC)cc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000426359003 513913116 /nfs/dbraw/zinc/91/31/16/513913116.db2.gz XEQFYDWTJBAPOM-UHFFFAOYSA-N 1 2 371.412 2.962 20 30 FFEDLO Cc1ccsc1C(=O)Nc1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000414118948 513980038 /nfs/dbraw/zinc/98/00/38/513980038.db2.gz CEBLOHVLRSDMHL-MRXNPFEDSA-N 1 2 373.478 2.894 20 30 FFEDLO Cc1ccsc1C(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000414118948 513980045 /nfs/dbraw/zinc/98/00/45/513980045.db2.gz CEBLOHVLRSDMHL-MRXNPFEDSA-N 1 2 373.478 2.894 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1cc(F)c(Br)cc1Cl ZINC000414125521 513982105 /nfs/dbraw/zinc/98/21/05/513982105.db2.gz MWXMUKVLXJRMNF-VIFPVBQESA-N 1 2 365.630 2.827 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cc(F)c(Br)cc1Cl ZINC000414125521 513982109 /nfs/dbraw/zinc/98/21/09/513982109.db2.gz MWXMUKVLXJRMNF-VIFPVBQESA-N 1 2 365.630 2.827 20 30 FFEDLO CCOC(=O)c1c(C)oc2ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc21 ZINC000414154648 513991496 /nfs/dbraw/zinc/99/14/96/513991496.db2.gz ZWCFQLVFRYZPIN-AWEZNQCLSA-N 1 2 360.410 2.503 20 30 FFEDLO CCOC(=O)c1c(C)oc2ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc21 ZINC000414154648 513991504 /nfs/dbraw/zinc/99/15/04/513991504.db2.gz ZWCFQLVFRYZPIN-AWEZNQCLSA-N 1 2 360.410 2.503 20 30 FFEDLO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000432302656 514153577 /nfs/dbraw/zinc/15/35/77/514153577.db2.gz QUQAUDWFBBNOGW-KRWDZBQOSA-N 1 2 370.409 2.831 20 30 FFEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C1CC(OC(C)(C)C)C1 ZINC000421017979 514439410 /nfs/dbraw/zinc/43/94/10/514439410.db2.gz VXIBZQVWDOAANL-UHFFFAOYSA-N 1 2 350.484 2.610 20 30 FFEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C1CC(OC(C)(C)C)C1 ZINC000421017979 514439413 /nfs/dbraw/zinc/43/94/13/514439413.db2.gz VXIBZQVWDOAANL-UHFFFAOYSA-N 1 2 350.484 2.610 20 30 FFEDLO C=CCn1cc(C[NH2+][C@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C)cc2)nn1 ZINC000424300462 514450227 /nfs/dbraw/zinc/45/02/27/514450227.db2.gz XRUIMWJDXVXSSH-OALUTQOASA-N 1 2 374.510 2.647 20 30 FFEDLO C=CCn1cc(C[NH2+][C@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)nn1 ZINC000424300463 514450802 /nfs/dbraw/zinc/45/08/02/514450802.db2.gz XRUIMWJDXVXSSH-RBUKOAKNSA-N 1 2 374.510 2.647 20 30 FFEDLO COc1ccc2c(c1)OC(C)(C)C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000421042040 514455010 /nfs/dbraw/zinc/45/50/10/514455010.db2.gz PEAMFVVRZSQJRZ-HXUWFJFHSA-N 1 2 359.470 2.723 20 30 FFEDLO COc1ccc2c(c1)OC(C)(C)C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000421042040 514455013 /nfs/dbraw/zinc/45/50/13/514455013.db2.gz PEAMFVVRZSQJRZ-HXUWFJFHSA-N 1 2 359.470 2.723 20 30 FFEDLO C=CCOc1cccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)c1 ZINC000438911475 514465728 /nfs/dbraw/zinc/46/57/28/514465728.db2.gz KAOXDQHTVLXZQZ-UHFFFAOYSA-N 1 2 353.422 2.731 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450229942 514554623 /nfs/dbraw/zinc/55/46/23/514554623.db2.gz FHISCKTXBMCYFH-ISWURRPUSA-N 1 2 352.837 2.932 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450229942 514554631 /nfs/dbraw/zinc/55/46/31/514554631.db2.gz FHISCKTXBMCYFH-ISWURRPUSA-N 1 2 352.837 2.932 20 30 FFEDLO C=CCOCCC[NH+]1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000470725644 514586216 /nfs/dbraw/zinc/58/62/16/514586216.db2.gz HSMYKIKQRMEUAQ-UHFFFAOYSA-N 1 2 366.527 2.709 20 30 FFEDLO N#Cc1c[nH]c(C(=O)NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)c1 ZINC000479524341 514615721 /nfs/dbraw/zinc/61/57/21/514615721.db2.gz GROJXMPZEOIEDW-UHFFFAOYSA-N 1 2 357.417 2.774 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2cc(OC)ccc2F)CC1 ZINC000484304877 514625300 /nfs/dbraw/zinc/62/53/00/514625300.db2.gz HHSMBMVUUAVAJI-INIZCTEOSA-N 1 2 363.477 2.769 20 30 FFEDLO N#Cc1ccnc(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000497766425 514629532 /nfs/dbraw/zinc/62/95/32/514629532.db2.gz BSXSTQTVTIQDSB-AWEZNQCLSA-N 1 2 356.376 2.626 20 30 FFEDLO N#Cc1ccnc(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000497766425 514629542 /nfs/dbraw/zinc/62/95/42/514629542.db2.gz BSXSTQTVTIQDSB-AWEZNQCLSA-N 1 2 356.376 2.626 20 30 FFEDLO N#Cc1ccnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000497766426 514630409 /nfs/dbraw/zinc/63/04/09/514630409.db2.gz BSXSTQTVTIQDSB-CQSZACIVSA-N 1 2 356.376 2.626 20 30 FFEDLO N#Cc1ccnc(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000497766426 514630417 /nfs/dbraw/zinc/63/04/17/514630417.db2.gz BSXSTQTVTIQDSB-CQSZACIVSA-N 1 2 356.376 2.626 20 30 FFEDLO N#Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)s1 ZINC000475434955 514661446 /nfs/dbraw/zinc/66/14/46/514661446.db2.gz MSISEEXQFNQASQ-CYBMUJFWSA-N 1 2 350.241 2.698 20 30 FFEDLO CC(C)CCOCCNC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502542465 514686998 /nfs/dbraw/zinc/68/69/98/514686998.db2.gz CKVIYWNUIHLIBS-UHFFFAOYSA-N 1 2 355.482 2.826 20 30 FFEDLO CC(C)CCOCCNC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502542465 514687003 /nfs/dbraw/zinc/68/70/03/514687003.db2.gz CKVIYWNUIHLIBS-UHFFFAOYSA-N 1 2 355.482 2.826 20 30 FFEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455700274 514690760 /nfs/dbraw/zinc/69/07/60/514690760.db2.gz AODYJHMZLBFUCG-DZGCQCFKSA-N 1 2 362.861 2.733 20 30 FFEDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2ccc(CC#N)cc2Cl)CCO1 ZINC000455740293 514712842 /nfs/dbraw/zinc/71/28/42/514712842.db2.gz YBOQTCDAEMUTOY-AWEZNQCLSA-N 1 2 350.850 2.638 20 30 FFEDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(CC#N)cc2Cl)CCO1 ZINC000455740293 514712851 /nfs/dbraw/zinc/71/28/51/514712851.db2.gz YBOQTCDAEMUTOY-AWEZNQCLSA-N 1 2 350.850 2.638 20 30 FFEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000471011518 514716252 /nfs/dbraw/zinc/71/62/52/514716252.db2.gz ZSMMPAYMZUFXCO-LJQANCHMSA-N 1 2 368.868 2.821 20 30 FFEDLO CC(C)N1CC[C@@H]([NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1=O ZINC000471013868 514717192 /nfs/dbraw/zinc/71/71/92/514717192.db2.gz YFWRWPMOCNCRAL-QZTJIDSGSA-N 1 2 360.889 2.532 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453733811 514840394 /nfs/dbraw/zinc/84/03/94/514840394.db2.gz MFXPYTGQHVKZSS-QGZVFWFLSA-N 1 2 365.437 2.661 20 30 FFEDLO C=CCn1c(-c2cc3ccccc3o2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000508802996 514898739 /nfs/dbraw/zinc/89/87/39/514898739.db2.gz VBBNIMRGHFEGGW-UHFFFAOYSA-N 1 2 367.453 2.646 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462252492 514959514 /nfs/dbraw/zinc/95/95/14/514959514.db2.gz KRBGWEFKFYPIDA-CQSZACIVSA-N 1 2 350.422 2.841 20 30 FFEDLO C=CCCCS(=O)(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000489867439 515006311 /nfs/dbraw/zinc/00/63/11/515006311.db2.gz WXZVYHOFDCZGAC-KRWDZBQOSA-N 1 2 366.527 2.887 20 30 FFEDLO C=CCCCS(=O)(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000489867439 515006319 /nfs/dbraw/zinc/00/63/19/515006319.db2.gz WXZVYHOFDCZGAC-KRWDZBQOSA-N 1 2 366.527 2.887 20 30 FFEDLO C=C(CC)CNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000454042045 515159322 /nfs/dbraw/zinc/15/93/22/515159322.db2.gz ZADJFYASZXHRRZ-UHFFFAOYSA-N 1 2 352.438 2.907 20 30 FFEDLO N#Cc1cccc(OCC[N@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)c1 ZINC000468131780 515235081 /nfs/dbraw/zinc/23/50/81/515235081.db2.gz LNAPMIXRLPLOEY-UHFFFAOYSA-N 1 2 369.852 2.935 20 30 FFEDLO N#Cc1cccc(OCC[N@@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)c1 ZINC000468131780 515235089 /nfs/dbraw/zinc/23/50/89/515235089.db2.gz LNAPMIXRLPLOEY-UHFFFAOYSA-N 1 2 369.852 2.935 20 30 FFEDLO C=CCC[C@@H](CO)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000454279310 515362024 /nfs/dbraw/zinc/36/20/24/515362024.db2.gz PBGQIWSNYNWGTF-KGLIPLIRSA-N 1 2 352.504 2.824 20 30 FFEDLO C=CCC[C@@H](CO)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000454279310 515362031 /nfs/dbraw/zinc/36/20/31/515362031.db2.gz PBGQIWSNYNWGTF-KGLIPLIRSA-N 1 2 352.504 2.824 20 30 FFEDLO Cc1ccc(NC(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c(C)[nH+]1 ZINC000504758465 515369846 /nfs/dbraw/zinc/36/98/46/515369846.db2.gz AIQOXKLCRLACTE-UHFFFAOYSA-N 1 2 360.417 2.825 20 30 FFEDLO Cc1onc(CC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c1C#N ZINC000499586467 515378571 /nfs/dbraw/zinc/37/85/71/515378571.db2.gz KNUIWLZBZWJSLU-QGZVFWFLSA-N 1 2 369.812 2.690 20 30 FFEDLO N#Cc1cccc(OCCC[N@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)c1 ZINC000477310231 515408109 /nfs/dbraw/zinc/40/81/09/515408109.db2.gz RUDDVONDFGSZNL-UHFFFAOYSA-N 1 2 367.424 2.811 20 30 FFEDLO N#Cc1cccc(OCCC[N@@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)c1 ZINC000477310231 515408115 /nfs/dbraw/zinc/40/81/15/515408115.db2.gz RUDDVONDFGSZNL-UHFFFAOYSA-N 1 2 367.424 2.811 20 30 FFEDLO Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1C ZINC000459225839 515411037 /nfs/dbraw/zinc/41/10/37/515411037.db2.gz YTAGADGEOKTVRT-UHFFFAOYSA-N 1 2 363.465 2.598 20 30 FFEDLO C=CCCCCNC(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000472856015 515422019 /nfs/dbraw/zinc/42/20/19/515422019.db2.gz WPKSUECSKKKLOE-UHFFFAOYSA-N 1 2 361.486 2.887 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000510102201 515434422 /nfs/dbraw/zinc/43/44/22/515434422.db2.gz DRMGICKLOHNVNV-LJQANCHMSA-N 1 2 373.460 2.581 20 30 FFEDLO CCOc1cc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)ccc1O ZINC000459345192 515487595 /nfs/dbraw/zinc/48/75/95/515487595.db2.gz AMDQZCFFUITGTC-QVKFZJNVSA-N 1 2 363.417 2.636 20 30 FFEDLO CCOc1cc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)ccc1O ZINC000459345192 515487605 /nfs/dbraw/zinc/48/76/05/515487605.db2.gz AMDQZCFFUITGTC-QVKFZJNVSA-N 1 2 363.417 2.636 20 30 FFEDLO C[C@@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)C(=O)NC1(C#N)CCCCC1 ZINC000499937347 515522911 /nfs/dbraw/zinc/52/29/11/515522911.db2.gz GELYGPKTLXRINL-IUODEOHRSA-N 1 2 367.852 2.833 20 30 FFEDLO C=C(C)CCSc1nnc([C@@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000505481712 515547620 /nfs/dbraw/zinc/54/76/20/515547620.db2.gz TVHPSTSHZWCYRR-MRXNPFEDSA-N 1 2 367.563 2.681 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000510477267 515551645 /nfs/dbraw/zinc/55/16/45/515551645.db2.gz XRUVOWIVNCVARY-INIZCTEOSA-N 1 2 368.456 2.959 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000505618952 515612960 /nfs/dbraw/zinc/61/29/60/515612960.db2.gz GHIBDBKFGWRREW-UHFFFAOYSA-N 1 2 352.438 2.873 20 30 FFEDLO N#Cc1ccc(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)c(F)c1 ZINC000493253031 515613475 /nfs/dbraw/zinc/61/34/75/515613475.db2.gz JCJGFTCFNWNMLT-UHFFFAOYSA-N 1 2 356.382 2.743 20 30 FFEDLO C=CCOc1ccc(CNc2[nH+]cnc3c2cnn3-c2ncccn2)cc1 ZINC000505751599 515656812 /nfs/dbraw/zinc/65/68/12/515656812.db2.gz UMRYSDAPSAQKFT-UHFFFAOYSA-N 1 2 359.393 2.782 20 30 FFEDLO C=C[C@@H]1CCCCN1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000494220737 515772327 /nfs/dbraw/zinc/77/23/27/515772327.db2.gz RXMUFJAKLNSTOY-JFIYKMOQSA-N 1 2 358.486 2.945 20 30 FFEDLO C=CCCCCNC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000474084804 515874989 /nfs/dbraw/zinc/87/49/89/515874989.db2.gz SGVYPIYLWDMXIN-UHFFFAOYSA-N 1 2 361.486 2.758 20 30 FFEDLO C=CCNC(=O)Nc1ccc(NC(=O)C2CC[NH+](CC(F)F)CC2)cc1 ZINC000478584075 515880357 /nfs/dbraw/zinc/88/03/57/515880357.db2.gz GUWUNLIHELLDNG-UHFFFAOYSA-N 1 2 366.412 2.910 20 30 FFEDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000483027244 515888978 /nfs/dbraw/zinc/88/89/78/515888978.db2.gz POHKTALRWIYZAD-QGZVFWFLSA-N 1 2 352.438 2.625 20 30 FFEDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000483027244 515888987 /nfs/dbraw/zinc/88/89/87/515888987.db2.gz POHKTALRWIYZAD-QGZVFWFLSA-N 1 2 352.438 2.625 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000464723775 515935956 /nfs/dbraw/zinc/93/59/56/515935956.db2.gz CIRDUKQXGHAAAA-GOSISDBHSA-N 1 2 352.482 2.952 20 30 FFEDLO COc1ccc([C@H](NC(=O)N(C)CC(C)(C)C#N)c2[nH+]ccn2C)cc1 ZINC000457577619 515987919 /nfs/dbraw/zinc/98/79/19/515987919.db2.gz XTYUTXZHMBMULC-INIZCTEOSA-N 1 2 355.442 2.709 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccccc1C#N ZINC000501189986 516011282 /nfs/dbraw/zinc/01/12/82/516011282.db2.gz YFIKFWSGIJMKDI-IAGOWNOFSA-N 1 2 369.490 2.842 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccccc1C#N ZINC000501189986 516011289 /nfs/dbraw/zinc/01/12/89/516011289.db2.gz YFIKFWSGIJMKDI-IAGOWNOFSA-N 1 2 369.490 2.842 20 30 FFEDLO C=CC(C)(C)CNC(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000455375535 516160512 /nfs/dbraw/zinc/16/05/12/516160512.db2.gz ZIQBCBXCGPKTMT-UHFFFAOYSA-N 1 2 361.486 2.743 20 30 FFEDLO C[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000507305127 516166003 /nfs/dbraw/zinc/16/60/03/516166003.db2.gz UFHWNABBDCZVCU-ZRGWGRIASA-N 1 2 360.458 2.554 20 30 FFEDLO C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507317491 516171063 /nfs/dbraw/zinc/17/10/63/516171063.db2.gz KOXDJUVOTALOCM-QGZVFWFLSA-N 1 2 354.498 2.765 20 30 FFEDLO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000507381426 516196843 /nfs/dbraw/zinc/19/68/43/516196843.db2.gz MRZTYQDIEDNKOP-UHFFFAOYSA-N 1 2 369.490 2.514 20 30 FFEDLO CN(CC(C)(C)C#N)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000457908434 516223993 /nfs/dbraw/zinc/22/39/93/516223993.db2.gz FESCUILFMUHXMR-UHFFFAOYSA-N 1 2 364.247 2.788 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000488482702 516236773 /nfs/dbraw/zinc/23/67/73/516236773.db2.gz GFZSEDIBRLVVCH-FQEVSTJZSA-N 1 2 353.466 2.786 20 30 FFEDLO Cc1ccccc1-n1nccc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000474926750 516238394 /nfs/dbraw/zinc/23/83/94/516238394.db2.gz PCVVQDRRJZNYNN-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000512521876 516300048 /nfs/dbraw/zinc/30/00/48/516300048.db2.gz LETJXBAURGHZTJ-SFHVURJKSA-N 1 2 370.501 2.690 20 30 FFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000512521876 516300052 /nfs/dbraw/zinc/30/00/52/516300052.db2.gz LETJXBAURGHZTJ-SFHVURJKSA-N 1 2 370.501 2.690 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000502189154 516317411 /nfs/dbraw/zinc/31/74/11/516317411.db2.gz XAKBLSHDLPXKFW-SFHVURJKSA-N 1 2 363.546 2.914 20 30 FFEDLO C=C(CNC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000512678746 516320756 /nfs/dbraw/zinc/32/07/56/516320756.db2.gz SZKNGZDZEZNOFF-OAQYLSRUSA-N 1 2 373.497 2.805 20 30 FFEDLO Cc1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)nn1-c1cccc(C#N)c1 ZINC000543739933 516401825 /nfs/dbraw/zinc/40/18/25/516401825.db2.gz CNFBRKUEUSGQSE-UHFFFAOYSA-N 1 2 360.421 2.795 20 30 FFEDLO Cc1cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)nn1-c1cccc(C#N)c1 ZINC000543739933 516401834 /nfs/dbraw/zinc/40/18/34/516401834.db2.gz CNFBRKUEUSGQSE-UHFFFAOYSA-N 1 2 360.421 2.795 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000540043899 516416140 /nfs/dbraw/zinc/41/61/40/516416140.db2.gz KAPMFPZETLWZDB-NRFANRHFSA-N 1 2 369.465 2.601 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000540043899 516416150 /nfs/dbraw/zinc/41/61/50/516416150.db2.gz KAPMFPZETLWZDB-NRFANRHFSA-N 1 2 369.465 2.601 20 30 FFEDLO COc1cc(C)c(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c(C)n1 ZINC000543783720 516426719 /nfs/dbraw/zinc/42/67/19/516426719.db2.gz JBCLGLAJNVBLDS-UHFFFAOYSA-N 1 2 350.466 2.897 20 30 FFEDLO N#CCC1CC[NH+](CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000543807026 516437122 /nfs/dbraw/zinc/43/71/22/516437122.db2.gz KBQPECFYPSUCRU-UHFFFAOYSA-N 1 2 371.300 2.848 20 30 FFEDLO Cc1nc([C@H]2CCC[N@@H+]2CC#CCN2C(=O)c3ccccc3C2=O)cs1 ZINC000528456546 516451447 /nfs/dbraw/zinc/45/14/47/516451447.db2.gz NLRWSJRQMKFQQQ-GOSISDBHSA-N 1 2 365.458 2.888 20 30 FFEDLO Cc1nc([C@H]2CCC[N@H+]2CC#CCN2C(=O)c3ccccc3C2=O)cs1 ZINC000528456546 516451454 /nfs/dbraw/zinc/45/14/54/516451454.db2.gz NLRWSJRQMKFQQQ-GOSISDBHSA-N 1 2 365.458 2.888 20 30 FFEDLO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000528491780 516475008 /nfs/dbraw/zinc/47/50/08/516475008.db2.gz QWSNYBFOUIHHFC-GOSISDBHSA-N 1 2 373.478 2.682 20 30 FFEDLO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000528491780 516475018 /nfs/dbraw/zinc/47/50/18/516475018.db2.gz QWSNYBFOUIHHFC-GOSISDBHSA-N 1 2 373.478 2.682 20 30 FFEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[NH+](CCOC)CC1 ZINC000523489600 516486508 /nfs/dbraw/zinc/48/65/08/516486508.db2.gz VSIKJVRJJHWSDY-UHFFFAOYSA-N 1 2 372.387 2.674 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](CC[S@@](=O)c3ccccc3)CC2)c(F)c1 ZINC000517900537 516486863 /nfs/dbraw/zinc/48/68/63/516486863.db2.gz OTZLNZVBOCNVEQ-RUZDIDTESA-N 1 2 357.454 2.627 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc4nc[nH]c4cc3F)CC2)cc1 ZINC000517950569 516504136 /nfs/dbraw/zinc/50/41/36/516504136.db2.gz RHVSDHULRUVOLP-UHFFFAOYSA-N 1 2 363.396 2.532 20 30 FFEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000528540266 516513520 /nfs/dbraw/zinc/51/35/20/516513520.db2.gz YBDLKOLNRQKNAU-JJXUHFIVSA-N 1 2 370.424 2.899 20 30 FFEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000528540266 516513531 /nfs/dbraw/zinc/51/35/31/516513531.db2.gz YBDLKOLNRQKNAU-JJXUHFIVSA-N 1 2 370.424 2.899 20 30 FFEDLO C=CCOc1cccc(C[NH+]2CCN(CC(=O)NC3CCCCC3)CC2)c1 ZINC000513380293 516595027 /nfs/dbraw/zinc/59/50/27/516595027.db2.gz FDWNANMJFTUKEI-UHFFFAOYSA-N 1 2 371.525 2.818 20 30 FFEDLO COc1ccccc1O[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000513396647 516603663 /nfs/dbraw/zinc/60/36/63/516603663.db2.gz FLNSJOYMJYOXAN-YLJYHZDGSA-N 1 2 365.433 2.637 20 30 FFEDLO COc1ccccc1O[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000513396647 516603673 /nfs/dbraw/zinc/60/36/73/516603673.db2.gz FLNSJOYMJYOXAN-YLJYHZDGSA-N 1 2 365.433 2.637 20 30 FFEDLO COc1ccccc1O[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000513396646 516604257 /nfs/dbraw/zinc/60/42/57/516604257.db2.gz FLNSJOYMJYOXAN-XLIONFOSSA-N 1 2 365.433 2.637 20 30 FFEDLO COc1ccccc1O[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000513396646 516604267 /nfs/dbraw/zinc/60/42/67/516604267.db2.gz FLNSJOYMJYOXAN-XLIONFOSSA-N 1 2 365.433 2.637 20 30 FFEDLO C=CCOC[C@@H]([NH2+][C@H]1CCc2cccc(Br)c2C1)C(=O)OC ZINC000513405764 516609101 /nfs/dbraw/zinc/60/91/01/516609101.db2.gz IMWHWBJEHOLMTN-XJKSGUPXSA-N 1 2 368.271 2.640 20 30 FFEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000551293801 516646107 /nfs/dbraw/zinc/64/61/07/516646107.db2.gz IZKMVJVEKYAHIY-UHFFFAOYSA-N 1 2 366.465 2.605 20 30 FFEDLO N#CCC[C@@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cn1)c1ccccc1 ZINC000555071942 516768565 /nfs/dbraw/zinc/76/85/65/516768565.db2.gz AEKAKPBPPKLFAQ-LJQANCHMSA-N 1 2 364.449 2.689 20 30 FFEDLO N#Cc1csc(C[NH2+][C@@H](CCO)c2ccccc2Br)n1 ZINC000558486464 516773722 /nfs/dbraw/zinc/77/37/22/516773722.db2.gz ZYRYBTZSNYIFLN-ZDUSSCGKSA-N 1 2 352.257 2.991 20 30 FFEDLO CCc1ccccc1O[C@H](C)C(=O)N1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000555364833 516901267 /nfs/dbraw/zinc/90/12/67/516901267.db2.gz YONCULFACCNUPW-LMMKCTJWSA-N 1 2 355.482 2.853 20 30 FFEDLO C=CC[N@H+](Cc1nnc(C)n1C1CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537046985 517018413 /nfs/dbraw/zinc/01/84/13/517018413.db2.gz YPRHUONVHKKCFQ-CQSZACIVSA-N 1 2 364.457 2.646 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000519511110 517018466 /nfs/dbraw/zinc/01/84/66/517018466.db2.gz TULDLNLCGZYTAR-NRFANRHFSA-N 1 2 374.448 2.508 20 30 FFEDLO C=CC[N@@H+](Cc1nnc(C)n1C1CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537046985 517018425 /nfs/dbraw/zinc/01/84/25/517018425.db2.gz YPRHUONVHKKCFQ-CQSZACIVSA-N 1 2 364.457 2.646 20 30 FFEDLO C=CCC(CC=C)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000545016243 517023649 /nfs/dbraw/zinc/02/36/49/517023649.db2.gz QFWFMGPTFLFLQZ-UHFFFAOYSA-N 1 2 367.453 2.755 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)NCC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000562391775 517074354 /nfs/dbraw/zinc/07/43/54/517074354.db2.gz RTSRCJTZXFCDHV-LSDHHAIUSA-N 1 2 350.825 2.827 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)NCC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000562391775 517074363 /nfs/dbraw/zinc/07/43/63/517074363.db2.gz RTSRCJTZXFCDHV-LSDHHAIUSA-N 1 2 350.825 2.827 20 30 FFEDLO CCc1ccc(O[C@H](C)C(=O)N2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000559094450 517079391 /nfs/dbraw/zinc/07/93/91/517079391.db2.gz IWZREWAAKBJEFG-QRQLOZEOSA-N 1 2 355.482 2.853 20 30 FFEDLO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000548753728 517190551 /nfs/dbraw/zinc/19/05/51/517190551.db2.gz APBAWZRIJLLBHH-OWCLPIDISA-N 1 2 370.497 2.839 20 30 FFEDLO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000548753728 517190558 /nfs/dbraw/zinc/19/05/58/517190558.db2.gz APBAWZRIJLLBHH-OWCLPIDISA-N 1 2 370.497 2.839 20 30 FFEDLO CCN(Cc1ccccc1)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548799192 517221281 /nfs/dbraw/zinc/22/12/81/517221281.db2.gz QLGHWCKSANGTSN-UHFFFAOYSA-N 1 2 362.477 2.987 20 30 FFEDLO COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548798009 517222398 /nfs/dbraw/zinc/22/23/98/517222398.db2.gz GWNUHGYGIYBTDK-INIZCTEOSA-N 1 2 364.449 2.975 20 30 FFEDLO Cc1cc(Br)cn2cc(CNC(=O)c3ccc(C#N)[nH]3)[nH+]c12 ZINC000545407148 517223860 /nfs/dbraw/zinc/22/38/60/517223860.db2.gz UVZWAAHTEOAWCF-UHFFFAOYSA-N 1 2 358.199 2.535 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCC(C)(c3nc(C)no3)CC2)c1C#N ZINC000541895501 517280986 /nfs/dbraw/zinc/28/09/86/517280986.db2.gz CQNXPBABHGEMCU-UHFFFAOYSA-N 1 2 354.410 2.590 20 30 FFEDLO COc1cccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c1OC(F)F ZINC000545551758 517288953 /nfs/dbraw/zinc/28/89/53/517288953.db2.gz YJUPUDZOWMNPNE-UHFFFAOYSA-N 1 2 374.391 2.885 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3cnc([C@@H]4CCCO4)s3)CC2)n1 ZINC000545552153 517288974 /nfs/dbraw/zinc/28/89/74/517288974.db2.gz GPEFNRRXXBHYMX-INIZCTEOSA-N 1 2 355.467 2.583 20 30 FFEDLO CCOc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)nc2nc(C(F)(F)F)nn21 ZINC000533137118 517313919 /nfs/dbraw/zinc/31/39/19/517313919.db2.gz XRYVWBRNKQHZQI-JTQLQIEISA-N 1 2 368.363 2.666 20 30 FFEDLO CCOc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)nc2nc(C(F)(F)F)nn21 ZINC000533137118 517313927 /nfs/dbraw/zinc/31/39/27/517313927.db2.gz XRYVWBRNKQHZQI-JTQLQIEISA-N 1 2 368.363 2.666 20 30 FFEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000526300778 517368694 /nfs/dbraw/zinc/36/86/94/517368694.db2.gz FCWNYGVNYYAWIX-OAHLLOKOSA-N 1 2 360.889 2.581 20 30 FFEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@H]2C)nnc1-c1cccc(OC)c1 ZINC000556336354 517374969 /nfs/dbraw/zinc/37/49/69/517374969.db2.gz IWRMNZFLBNGGTJ-OAHLLOKOSA-N 1 2 374.510 2.953 20 30 FFEDLO C=CCn1c(SCC[N@H+]2CCOC[C@H]2C)nnc1-c1cccc(OC)c1 ZINC000556336354 517374974 /nfs/dbraw/zinc/37/49/74/517374974.db2.gz IWRMNZFLBNGGTJ-OAHLLOKOSA-N 1 2 374.510 2.953 20 30 FFEDLO Cc1ccc([C@H](CNC(=O)c2ccc(F)c(C#N)c2)[NH+]2CCOCC2)cc1 ZINC000556375054 517396741 /nfs/dbraw/zinc/39/67/41/517396741.db2.gz KCKQDQOSEBRVAX-FQEVSTJZSA-N 1 2 367.424 2.809 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCSc1ccc(Br)cc1 ZINC000520590142 517447698 /nfs/dbraw/zinc/44/76/98/517447698.db2.gz UEVDXFQVMOASJX-HNNXBMFYSA-N 1 2 370.316 2.891 20 30 FFEDLO C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000538077150 517457981 /nfs/dbraw/zinc/45/79/81/517457981.db2.gz RDDIWRBTTLTETA-UHFFFAOYSA-N 1 2 366.396 2.935 20 30 FFEDLO CNC(=O)N1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000527053876 517476509 /nfs/dbraw/zinc/47/65/09/517476509.db2.gz FPURJJROJJFISP-UHFFFAOYSA-N 1 2 364.449 2.594 20 30 FFEDLO C=C(C)[C@H](CC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1)OCC ZINC000533678188 517568010 /nfs/dbraw/zinc/56/80/10/517568010.db2.gz HJTLYQMEKJLPAO-UXHICEINSA-N 1 2 360.498 2.856 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc1OC ZINC000516135672 517580050 /nfs/dbraw/zinc/58/00/50/517580050.db2.gz FDCFILJDKRXCAE-UHFFFAOYSA-N 1 2 352.438 2.683 20 30 FFEDLO C=C(C)Cn1c(CC(C)C)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000549658179 517651302 /nfs/dbraw/zinc/65/13/02/517651302.db2.gz QUAURQPLNXTPDT-UHFFFAOYSA-N 1 2 354.502 2.770 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000538683844 517720053 /nfs/dbraw/zinc/72/00/53/517720053.db2.gz YLTSXJDEEXGQNN-UHFFFAOYSA-N 1 2 358.829 2.775 20 30 FFEDLO C[C@@H]1C[C@@H](NC(=O)N(C)CCOCc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000516625661 517775997 /nfs/dbraw/zinc/77/59/97/517775997.db2.gz DPYOYDDKOHEIHQ-RHSMWYFYSA-N 1 2 353.426 2.619 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2C)c1C#N ZINC000530465911 517792426 /nfs/dbraw/zinc/79/24/26/517792426.db2.gz IGIDIBCBJAGBFZ-SUMWQHHRSA-N 1 2 358.486 2.875 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2C)c1C#N ZINC000530465911 517792433 /nfs/dbraw/zinc/79/24/33/517792433.db2.gz IGIDIBCBJAGBFZ-SUMWQHHRSA-N 1 2 358.486 2.875 20 30 FFEDLO COc1cc(C#N)ccc1NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000546708947 517811379 /nfs/dbraw/zinc/81/13/79/517811379.db2.gz LWAUBAOEICJRJI-HNNXBMFYSA-N 1 2 365.437 2.873 20 30 FFEDLO CO[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000527686705 517846106 /nfs/dbraw/zinc/84/61/06/517846106.db2.gz INQOMQUVUQQTBT-HXUWFJFHSA-N 1 2 367.424 2.729 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(C#N)s1 ZINC000530675559 517915102 /nfs/dbraw/zinc/91/51/02/517915102.db2.gz WSXYPSCZFQLULD-MRXNPFEDSA-N 1 2 369.490 2.983 20 30 FFEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000557474648 518023445 /nfs/dbraw/zinc/02/34/45/518023445.db2.gz RUFNJHBHKNUAFY-KRWDZBQOSA-N 1 2 373.416 2.741 20 30 FFEDLO Cc1ccc(-c2noc(C[NH+]3CCN(c4cc(C)nc(C#N)c4)CC3)n2)cc1 ZINC000557477107 518024755 /nfs/dbraw/zinc/02/47/55/518024755.db2.gz LNHUXMLCHISXAF-UHFFFAOYSA-N 1 2 374.448 2.942 20 30 FFEDLO CCOC(=O)c1sc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)nc1C ZINC000543544491 518133196 /nfs/dbraw/zinc/13/31/96/518133196.db2.gz FIKKZRJMYPVDMV-GFCCVEGCSA-N 1 2 372.450 2.789 20 30 FFEDLO Cc1c[nH+]c2cc(C(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)ccn12 ZINC000572613717 518277056 /nfs/dbraw/zinc/27/70/56/518277056.db2.gz LFRKVVACOKYEKZ-LJQANCHMSA-N 1 2 359.433 2.665 20 30 FFEDLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000572815524 518372896 /nfs/dbraw/zinc/37/28/96/518372896.db2.gz SEZDEOCBVJEDCY-LJQANCHMSA-N 1 2 373.888 2.645 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(NC(=O)c2ccccc2)cc1 ZINC000567140569 518373425 /nfs/dbraw/zinc/37/34/25/518373425.db2.gz UORVHPMKZDTKHN-GOSISDBHSA-N 1 2 353.422 2.524 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(NC(=O)c2ccccc2)cc1 ZINC000567140569 518373434 /nfs/dbraw/zinc/37/34/34/518373434.db2.gz UORVHPMKZDTKHN-GOSISDBHSA-N 1 2 353.422 2.524 20 30 FFEDLO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1noc(-c2ccccc2)n1 ZINC000569969160 518381301 /nfs/dbraw/zinc/38/13/01/518381301.db2.gz TXFVSWTVKZTZEI-RHSMWYFYSA-N 1 2 364.405 2.699 20 30 FFEDLO Cc1cc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c(C#N)cn1 ZINC000567162058 518383638 /nfs/dbraw/zinc/38/36/38/518383638.db2.gz HHVGMCVCUBUQAL-MOPGFXCFSA-N 1 2 356.857 2.821 20 30 FFEDLO Cc1cc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c(C#N)cn1 ZINC000567162058 518383644 /nfs/dbraw/zinc/38/36/44/518383644.db2.gz HHVGMCVCUBUQAL-MOPGFXCFSA-N 1 2 356.857 2.821 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(C(=O)Nc2ccccc2)c1 ZINC000578894577 518425196 /nfs/dbraw/zinc/42/51/96/518425196.db2.gz ODUQBLULENNGMC-FQEVSTJZSA-N 1 2 350.422 2.513 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000578922120 518436639 /nfs/dbraw/zinc/43/66/39/518436639.db2.gz NPVRDAJGRUILGV-FPOVZHCZSA-N 1 2 361.445 2.909 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000578922120 518436647 /nfs/dbraw/zinc/43/66/47/518436647.db2.gz NPVRDAJGRUILGV-FPOVZHCZSA-N 1 2 361.445 2.909 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3ccc(N(C)C(C)C)nc3)CC2)c1C#N ZINC000570208132 518495880 /nfs/dbraw/zinc/49/58/80/518495880.db2.gz FIMXHUBGPRNHKD-UHFFFAOYSA-N 1 2 370.526 2.885 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1csc(-c2c(F)cccc2F)n1 ZINC000573093748 518505412 /nfs/dbraw/zinc/50/54/12/518505412.db2.gz IFNUYJKIHZCEKJ-MRXNPFEDSA-N 1 2 350.394 2.662 20 30 FFEDLO N#CC1(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCC1 ZINC000579113627 518530190 /nfs/dbraw/zinc/53/01/90/518530190.db2.gz VSXRIKANKJBGPG-UHFFFAOYSA-N 1 2 357.273 2.506 20 30 FFEDLO CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC1=O ZINC000579126527 518534703 /nfs/dbraw/zinc/53/47/03/518534703.db2.gz NCPNIFJCVGVELE-MRUHUIDDSA-N 1 2 370.497 2.513 20 30 FFEDLO CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000579449427 518684991 /nfs/dbraw/zinc/68/49/91/518684991.db2.gz WDPUHGJSPJTPBD-UHFFFAOYSA-N 1 2 359.437 2.558 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc1C#N ZINC000576749759 518743990 /nfs/dbraw/zinc/74/39/90/518743990.db2.gz MTKKZKKYGNBUOR-CYBMUJFWSA-N 1 2 370.478 2.631 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc1C#N ZINC000576749759 518743996 /nfs/dbraw/zinc/74/39/96/518743996.db2.gz MTKKZKKYGNBUOR-CYBMUJFWSA-N 1 2 370.478 2.631 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000565050370 518762508 /nfs/dbraw/zinc/76/25/08/518762508.db2.gz ATGFXGMXOHJCEK-HXUWFJFHSA-N 1 2 356.470 2.779 20 30 FFEDLO Cn1cc[nH+]c1[C@H](CC(=O)N[C@@H](C#N)c1ccc(F)cc1)C(F)(F)F ZINC000565372390 518923574 /nfs/dbraw/zinc/92/35/74/518923574.db2.gz WJWIUOGFSFAIGL-STQMWFEESA-N 1 2 354.307 2.976 20 30 FFEDLO C=CCCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000579995678 518955665 /nfs/dbraw/zinc/95/56/65/518955665.db2.gz XCZVRSCMAHSAIR-IAGOWNOFSA-N 1 2 363.889 2.674 20 30 FFEDLO C=CCCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000579995678 518955671 /nfs/dbraw/zinc/95/56/71/518955671.db2.gz XCZVRSCMAHSAIR-IAGOWNOFSA-N 1 2 363.889 2.674 20 30 FFEDLO N#Cc1cccc(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)n1 ZINC000589410403 518996362 /nfs/dbraw/zinc/99/63/62/518996362.db2.gz FYRXZVNPZKOSSB-AWEZNQCLSA-N 1 2 356.376 2.626 20 30 FFEDLO N#Cc1cccc(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)n1 ZINC000589410403 518996368 /nfs/dbraw/zinc/99/63/68/518996368.db2.gz FYRXZVNPZKOSSB-AWEZNQCLSA-N 1 2 356.376 2.626 20 30 FFEDLO C=C(C)CN(CC)C(=O)CN1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000589424669 518998769 /nfs/dbraw/zinc/99/87/69/518998769.db2.gz JVSPWYQDOAMTQY-UHFFFAOYSA-N 1 2 359.514 2.546 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000589424669 518998774 /nfs/dbraw/zinc/99/87/74/518998774.db2.gz JVSPWYQDOAMTQY-UHFFFAOYSA-N 1 2 359.514 2.546 20 30 FFEDLO N#Cc1c(C(F)F)cccc1N1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000577388382 519056858 /nfs/dbraw/zinc/05/68/58/519056858.db2.gz HTVIBYXJYBDKAN-GOSISDBHSA-N 1 2 370.403 2.844 20 30 FFEDLO CC1(C)C[N@@H+]([C@@H](CNc2cc(C#N)ncn2)c2ccc(Cl)cc2)CCO1 ZINC000574260089 519068814 /nfs/dbraw/zinc/06/88/14/519068814.db2.gz GNQWQXJGSJAGMU-KRWDZBQOSA-N 1 2 371.872 2.688 20 30 FFEDLO CC1(C)C[N@H+]([C@@H](CNc2cc(C#N)ncn2)c2ccc(Cl)cc2)CCO1 ZINC000574260089 519068819 /nfs/dbraw/zinc/06/88/19/519068819.db2.gz GNQWQXJGSJAGMU-KRWDZBQOSA-N 1 2 371.872 2.688 20 30 FFEDLO Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc12 ZINC000580386640 519146277 /nfs/dbraw/zinc/14/62/77/519146277.db2.gz HQIJZLKIOFXDMS-LJQANCHMSA-N 1 2 367.478 2.969 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000583355952 519203144 /nfs/dbraw/zinc/20/31/44/519203144.db2.gz QQIKLISQRKTXLX-SJCJKPOMSA-N 1 2 369.387 2.911 20 30 FFEDLO C=CCn1c(Cc2ccccc2Cl)nnc1N1CCn2cc[nH+]c2C1 ZINC000580499970 519203548 /nfs/dbraw/zinc/20/35/48/519203548.db2.gz UWOLLTYTAVMQTI-UHFFFAOYSA-N 1 2 354.845 2.925 20 30 FFEDLO CCN(CC)c1nc2sc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc2s1 ZINC000568766821 519205117 /nfs/dbraw/zinc/20/51/17/519205117.db2.gz HJMCRDQEATVDPV-INIZCTEOSA-N 1 2 365.528 2.778 20 30 FFEDLO C=CCCCCCNC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000568782048 519212266 /nfs/dbraw/zinc/21/22/66/519212266.db2.gz GSZALFUCWGHCDW-QGZVFWFLSA-N 1 2 372.444 2.627 20 30 FFEDLO CCC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000580537517 519227987 /nfs/dbraw/zinc/22/79/87/519227987.db2.gz SJQRQUZQQMDZFA-CQSZACIVSA-N 1 2 360.401 2.976 20 30 FFEDLO CCC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000580537517 519227991 /nfs/dbraw/zinc/22/79/91/519227991.db2.gz SJQRQUZQQMDZFA-CQSZACIVSA-N 1 2 360.401 2.976 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc2ccc(F)c(F)c2n1 ZINC000590594734 519280068 /nfs/dbraw/zinc/28/00/68/519280068.db2.gz NWCCAMLNFYHZMT-UHFFFAOYSA-N 1 2 360.408 2.561 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC000583503368 519284507 /nfs/dbraw/zinc/28/45/07/519284507.db2.gz ZFDYRFHTBBXFKD-HKUYNNGSSA-N 1 2 355.369 2.766 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC000583503368 519284512 /nfs/dbraw/zinc/28/45/12/519284512.db2.gz ZFDYRFHTBBXFKD-HKUYNNGSSA-N 1 2 355.369 2.766 20 30 FFEDLO N#Cc1cncc(S(=O)(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)c1 ZINC000577924672 519323804 /nfs/dbraw/zinc/32/38/04/519323804.db2.gz CTBUDLYXKAALPQ-UHFFFAOYSA-N 1 2 352.375 2.941 20 30 FFEDLO C[C@]1(c2ccccc2)CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000577981256 519355017 /nfs/dbraw/zinc/35/50/17/519355017.db2.gz KFFIVWBVEYLLIB-FQEVSTJZSA-N 1 2 369.490 2.781 20 30 FFEDLO C[C@]1(c2ccccc2)CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000577981256 519355020 /nfs/dbraw/zinc/35/50/20/519355020.db2.gz KFFIVWBVEYLLIB-FQEVSTJZSA-N 1 2 369.490 2.781 20 30 FFEDLO Cc1oncc1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1ncc(Cl)c(C)c1C#N ZINC000583668779 519368220 /nfs/dbraw/zinc/36/82/20/519368220.db2.gz RFUNNTDPNOKEIV-KBPBESRZSA-N 1 2 363.824 2.658 20 30 FFEDLO Cc1oncc1C[N@H+]1C[C@@H](F)C[C@H]1CNc1ncc(Cl)c(C)c1C#N ZINC000583668779 519368225 /nfs/dbraw/zinc/36/82/25/519368225.db2.gz RFUNNTDPNOKEIV-KBPBESRZSA-N 1 2 363.824 2.658 20 30 FFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000574889385 519386773 /nfs/dbraw/zinc/38/67/73/519386773.db2.gz YBBPXEZRAFISDK-MXWWQKGMSA-N 1 2 352.438 2.966 20 30 FFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000574889385 519386781 /nfs/dbraw/zinc/38/67/81/519386781.db2.gz YBBPXEZRAFISDK-MXWWQKGMSA-N 1 2 352.438 2.966 20 30 FFEDLO COc1cc(CNC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)ccc1C#N ZINC000580935188 519434562 /nfs/dbraw/zinc/43/45/62/519434562.db2.gz RQZLOVRGFLKJEU-MRXNPFEDSA-N 1 2 353.426 2.593 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCc3c(cccc3C(=O)OC)C2)c1C#N ZINC000590965730 519462243 /nfs/dbraw/zinc/46/22/43/519462243.db2.gz UOIPPVHPUFOYNS-UHFFFAOYSA-N 1 2 364.401 2.690 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCc3c(cccc3C(=O)OC)C2)c1C#N ZINC000590965730 519462244 /nfs/dbraw/zinc/46/22/44/519462244.db2.gz UOIPPVHPUFOYNS-UHFFFAOYSA-N 1 2 364.401 2.690 20 30 FFEDLO COC(=O)[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)C ZINC000591019186 519479268 /nfs/dbraw/zinc/47/92/68/519479268.db2.gz KUIMLFARNYFOTF-HNNXBMFYSA-N 1 2 351.834 2.718 20 30 FFEDLO COC(=O)[C@@]1(C)CCC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000591055401 519493397 /nfs/dbraw/zinc/49/33/97/519493397.db2.gz RYSWNCXIIASVTK-FQEVSTJZSA-N 1 2 352.438 2.828 20 30 FFEDLO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000591055401 519493405 /nfs/dbraw/zinc/49/34/05/519493405.db2.gz RYSWNCXIIASVTK-FQEVSTJZSA-N 1 2 352.438 2.828 20 30 FFEDLO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1ccc(Cl)cn1 ZINC000569406283 519532391 /nfs/dbraw/zinc/53/23/91/519532391.db2.gz MXPYNTMOMWJOHE-UHFFFAOYSA-N 1 2 358.829 2.694 20 30 FFEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1ccc(Cl)cn1 ZINC000569406283 519532400 /nfs/dbraw/zinc/53/24/00/519532400.db2.gz MXPYNTMOMWJOHE-UHFFFAOYSA-N 1 2 358.829 2.694 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cn1c2ccccc2nc1-c1ccccc1 ZINC000583997504 519541565 /nfs/dbraw/zinc/54/15/65/519541565.db2.gz JXGOOZGFFVLPRZ-NRFANRHFSA-N 1 2 361.449 2.663 20 30 FFEDLO COc1ccc(-c2ccc(C)c(NC[C@@H](O)C[N@H+](C)CCC#N)c2)cn1 ZINC000566556212 519549205 /nfs/dbraw/zinc/54/92/05/519549205.db2.gz GFOXMLMCGNMNPJ-GOSISDBHSA-N 1 2 354.454 2.684 20 30 FFEDLO COc1ccc(-c2ccc(C)c(NC[C@@H](O)C[N@@H+](C)CCC#N)c2)cn1 ZINC000566556212 519549209 /nfs/dbraw/zinc/54/92/09/519549209.db2.gz GFOXMLMCGNMNPJ-GOSISDBHSA-N 1 2 354.454 2.684 20 30 FFEDLO C[C@]1(C#N)CCCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000612367180 519925005 /nfs/dbraw/zinc/92/50/05/519925005.db2.gz MJPDRCFUBKLUMY-HXUWFJFHSA-N 1 2 365.437 2.678 20 30 FFEDLO Cc1sc2nc([C@H](C)[NH+]3C[C@H](C)N(CC#N)[C@@H](C)C3)nc(N)c2c1C ZINC000602853539 519926961 /nfs/dbraw/zinc/92/69/61/519926961.db2.gz JTISAULDWPWUHB-GVXVVHGQSA-N 1 2 358.515 2.870 20 30 FFEDLO C[C@H]1C[NH+](CC(=O)N(Cc2ccco2)c2ccccc2)C[C@H](C)N1CC#N ZINC000602857881 519931618 /nfs/dbraw/zinc/93/16/18/519931618.db2.gz WMHAHWNTRPSUCC-ROUUACIJSA-N 1 2 366.465 2.731 20 30 FFEDLO C[C@H]1C[NH+](CC(=O)Nc2ccccc2C(F)(F)F)C[C@H](C)N1CC#N ZINC000602858411 519932130 /nfs/dbraw/zinc/93/21/30/519932130.db2.gz RTDVQKOBCVBGTM-STQMWFEESA-N 1 2 354.376 2.562 20 30 FFEDLO CC[C@@H](C(=O)NC1(c2ccc(C#N)cc2)CCC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000594403842 519943448 /nfs/dbraw/zinc/94/34/48/519943448.db2.gz QKKKVPHCGSCZLC-OALUTQOASA-N 1 2 355.482 2.943 20 30 FFEDLO CC[C@@H](C(=O)NC1(c2ccc(C#N)cc2)CCC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000594403842 519943454 /nfs/dbraw/zinc/94/34/54/519943454.db2.gz QKKKVPHCGSCZLC-OALUTQOASA-N 1 2 355.482 2.943 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1OC ZINC000602979448 520002845 /nfs/dbraw/zinc/00/28/45/520002845.db2.gz DMYBOIQLAWCXGL-KURKYZTESA-N 1 2 371.481 2.991 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1OC ZINC000602979448 520002849 /nfs/dbraw/zinc/00/28/49/520002849.db2.gz DMYBOIQLAWCXGL-KURKYZTESA-N 1 2 371.481 2.991 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597411064 520011354 /nfs/dbraw/zinc/01/13/54/520011354.db2.gz ADRDTOPAUKGMFT-UHFFFAOYSA-N 1 2 358.348 2.629 20 30 FFEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC000594543735 520019527 /nfs/dbraw/zinc/01/95/27/520019527.db2.gz KKJUNTLHKJVWHY-ZDUSSCGKSA-N 1 2 350.451 2.841 20 30 FFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000608812076 520134717 /nfs/dbraw/zinc/13/47/17/520134717.db2.gz HTDRUWPYKJXIRR-CQSZACIVSA-N 1 2 350.378 2.745 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000594773352 520149521 /nfs/dbraw/zinc/14/95/21/520149521.db2.gz RGBNRPFCGHGAFZ-UHFFFAOYSA-N 1 2 358.448 2.524 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cc1ccncc1C#N ZINC000592070851 520166155 /nfs/dbraw/zinc/16/61/55/520166155.db2.gz RBCSUTQXUSBCCV-GOSISDBHSA-N 1 2 350.466 2.676 20 30 FFEDLO C[C@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592070851 520166163 /nfs/dbraw/zinc/16/61/63/520166163.db2.gz RBCSUTQXUSBCCV-GOSISDBHSA-N 1 2 350.466 2.676 20 30 FFEDLO C[C@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592070851 520166169 /nfs/dbraw/zinc/16/61/69/520166169.db2.gz RBCSUTQXUSBCCV-GOSISDBHSA-N 1 2 350.466 2.676 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000592144976 520221707 /nfs/dbraw/zinc/22/17/07/520221707.db2.gz LHEBTPIYXHATQU-HNNXBMFYSA-N 1 2 352.316 2.606 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000592144976 520221716 /nfs/dbraw/zinc/22/17/16/520221716.db2.gz LHEBTPIYXHATQU-HNNXBMFYSA-N 1 2 352.316 2.606 20 30 FFEDLO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592147395 520223344 /nfs/dbraw/zinc/22/33/44/520223344.db2.gz LKFPYJUXYWENJG-FPOVZHCZSA-N 1 2 365.433 2.725 20 30 FFEDLO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592147395 520223354 /nfs/dbraw/zinc/22/33/54/520223354.db2.gz LKFPYJUXYWENJG-FPOVZHCZSA-N 1 2 365.433 2.725 20 30 FFEDLO N#CC1(c2ccc(CNc3cccc(C[N@@H+]4CCNC(=O)C4)c3)cc2)CC1 ZINC000594945843 520224087 /nfs/dbraw/zinc/22/40/87/520224087.db2.gz YCCIDMXUHZSLLW-UHFFFAOYSA-N 1 2 360.461 2.786 20 30 FFEDLO N#CC1(c2ccc(CNc3cccc(C[N@H+]4CCNC(=O)C4)c3)cc2)CC1 ZINC000594945843 520224098 /nfs/dbraw/zinc/22/40/98/520224098.db2.gz YCCIDMXUHZSLLW-UHFFFAOYSA-N 1 2 360.461 2.786 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000592146845 520224151 /nfs/dbraw/zinc/22/41/51/520224151.db2.gz KWBILSXOJXJFGP-UYAOXDASSA-N 1 2 353.397 2.856 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000592146845 520224158 /nfs/dbraw/zinc/22/41/58/520224158.db2.gz KWBILSXOJXJFGP-UYAOXDASSA-N 1 2 353.397 2.856 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609537884 520347831 /nfs/dbraw/zinc/34/78/31/520347831.db2.gz HJDVAEUGURWZSP-HKUYNNGSSA-N 1 2 374.554 2.817 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000609539081 520349751 /nfs/dbraw/zinc/34/97/51/520349751.db2.gz ROVJJRINBCUWAW-PZJWPPBQSA-N 1 2 370.541 2.978 20 30 FFEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000609615603 520379623 /nfs/dbraw/zinc/37/96/23/520379623.db2.gz GOSHJFVOEGTWCO-SWLSCSKDSA-N 1 2 350.344 2.844 20 30 FFEDLO CCOC(=O)c1c(C)n[nH]c1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000595300970 520396109 /nfs/dbraw/zinc/39/61/09/520396109.db2.gz CXDNWGLXCHMFCL-UHFFFAOYSA-N 1 2 368.437 2.810 20 30 FFEDLO N#C[C@H](Cc1ccccc1)n1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000609750681 520421362 /nfs/dbraw/zinc/42/13/62/520421362.db2.gz TWFPLNPHEOFESG-VQTJNVASSA-N 1 2 374.448 2.554 20 30 FFEDLO N#C[C@H](Cc1ccccc1)n1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000609750681 520421366 /nfs/dbraw/zinc/42/13/66/520421366.db2.gz TWFPLNPHEOFESG-VQTJNVASSA-N 1 2 374.448 2.554 20 30 FFEDLO N#Cc1ccc2[nH+]cc(CN3CCN(c4c(F)cccc4F)CC3)n2c1 ZINC000592515557 520433237 /nfs/dbraw/zinc/43/32/37/520433237.db2.gz GQNOMAYXTCYFNI-UHFFFAOYSA-N 1 2 353.376 2.806 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000600829767 520491809 /nfs/dbraw/zinc/49/18/09/520491809.db2.gz LXDPUXNHQDHDMT-FCEWJHQRSA-N 1 2 360.477 2.701 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(C(=O)CNc3ccc(C#N)cc3)CC2)s1 ZINC000609995305 520500108 /nfs/dbraw/zinc/50/01/08/520500108.db2.gz YALNDTLWRZLZMD-UHFFFAOYSA-N 1 2 368.506 2.938 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3Cc4ccccc43)CC2)cc1 ZINC000604291012 520507930 /nfs/dbraw/zinc/50/79/30/520507930.db2.gz AHHRHYCCOZTLAY-FQEVSTJZSA-N 1 2 360.461 2.725 20 30 FFEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](C(F)(F)F)C2)cc1Cl ZINC000610079147 520530940 /nfs/dbraw/zinc/53/09/40/520530940.db2.gz IXXKJCOYJAPSGF-CYBMUJFWSA-N 1 2 361.751 2.803 20 30 FFEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](C(F)(F)F)C2)cc1Cl ZINC000610079147 520530944 /nfs/dbraw/zinc/53/09/44/520530944.db2.gz IXXKJCOYJAPSGF-CYBMUJFWSA-N 1 2 361.751 2.803 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccccc3CC#N)c[nH+]2)C[C@H](C)O1 ZINC000600998519 520584740 /nfs/dbraw/zinc/58/47/40/520584740.db2.gz NSVQNOFWTMOHAQ-IYBDPMFKSA-N 1 2 364.449 2.691 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3cc(C#N)nc(C4CC4)n3)CC2)cc1F ZINC000601099817 520634925 /nfs/dbraw/zinc/63/49/25/520634925.db2.gz AGOGKLDHCVOMME-UHFFFAOYSA-N 1 2 367.428 2.696 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@H]2c2cccc(F)c2)cc1 ZINC000595759845 520703289 /nfs/dbraw/zinc/70/32/89/520703289.db2.gz OUKZUUYOBRCWPN-QUCCMNQESA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@H]2c2cccc(F)c2)cc1 ZINC000595759845 520703298 /nfs/dbraw/zinc/70/32/98/520703298.db2.gz OUKZUUYOBRCWPN-QUCCMNQESA-N 1 2 356.397 2.511 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595759996 520703625 /nfs/dbraw/zinc/70/36/25/520703625.db2.gz YMIKRFDNKYTRIC-WTOJCKNJSA-N 1 2 359.495 2.672 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595759996 520703629 /nfs/dbraw/zinc/70/36/29/520703629.db2.gz YMIKRFDNKYTRIC-WTOJCKNJSA-N 1 2 359.495 2.672 20 30 FFEDLO N#Cc1cccc(C2([NH2+]Cc3ncn(-c4ccccc4)n3)CCOCC2)c1 ZINC000595765116 520707488 /nfs/dbraw/zinc/70/74/88/520707488.db2.gz OSAHSVFPQDQUBY-UHFFFAOYSA-N 1 2 359.433 2.934 20 30 FFEDLO CC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1nnc2n1CCCCC2 ZINC000595799641 520733190 /nfs/dbraw/zinc/73/31/90/520733190.db2.gz NTMMBVZKJMFSJC-KRWDZBQOSA-N 1 2 367.453 2.904 20 30 FFEDLO CC[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1nnc2n1CCCCC2 ZINC000595801522 520735046 /nfs/dbraw/zinc/73/50/46/520735046.db2.gz SMEKAZXCZMWCIR-CYBMUJFWSA-N 1 2 358.471 2.617 20 30 FFEDLO CC[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1nnc2n1CCCCC2 ZINC000595800237 520735227 /nfs/dbraw/zinc/73/52/27/520735227.db2.gz MSQJOQHTVCWNKA-MRXNPFEDSA-N 1 2 352.442 2.556 20 30 FFEDLO CC[NH+](CC)[C@H](CNC(=O)N=c1[nH]n(C)cc1C#N)c1ccccc1Cl ZINC000610560634 520738843 /nfs/dbraw/zinc/73/88/43/520738843.db2.gz HMUYJGYMBMZKCY-MRXNPFEDSA-N 1 2 374.876 2.572 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCc2ccccc2[C@@H]1C(=O)OC(C)(C)C ZINC000595917815 520823112 /nfs/dbraw/zinc/82/31/12/520823112.db2.gz OLQYYXSSEMUIDB-LJQANCHMSA-N 1 2 371.481 2.690 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@H+]1CCc2ccccc2[C@@H]1C(=O)OC(C)(C)C ZINC000595917815 520823121 /nfs/dbraw/zinc/82/31/21/520823121.db2.gz OLQYYXSSEMUIDB-LJQANCHMSA-N 1 2 371.481 2.690 20 30 FFEDLO C=CCN(C(=O)c1ccc2[nH+]ccn2c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000595986757 520846348 /nfs/dbraw/zinc/84/63/48/520846348.db2.gz OCICUTZUQFFYLA-HNNXBMFYSA-N 1 2 373.420 2.699 20 30 FFEDLO CCc1nc(C#N)cc(N2CC[NH+](Cc3cc(Cl)ccc3OC)CC2)n1 ZINC000596074904 520895585 /nfs/dbraw/zinc/89/55/85/520895585.db2.gz JGZWFKIWYTVPHF-UHFFFAOYSA-N 1 2 371.872 2.895 20 30 FFEDLO N#CC1(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000596091007 520905599 /nfs/dbraw/zinc/90/55/99/520905599.db2.gz ZXJIGXINVZRYOQ-LJQANCHMSA-N 1 2 370.497 2.661 20 30 FFEDLO N#CC1(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000596091007 520905604 /nfs/dbraw/zinc/90/56/04/520905604.db2.gz ZXJIGXINVZRYOQ-LJQANCHMSA-N 1 2 370.497 2.661 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H](NS(=O)(=O)c1ccccc1C#N)c1ccccc1 ZINC000611023937 520951110 /nfs/dbraw/zinc/95/11/10/520951110.db2.gz FLAIAZZSGXARIC-QGZVFWFLSA-N 1 2 366.446 2.554 20 30 FFEDLO N#CCCN1CC[NH+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000611176014 521025952 /nfs/dbraw/zinc/02/59/52/521025952.db2.gz ROXRQJZUXBWGOC-OAQYLSRUSA-N 1 2 372.488 2.704 20 30 FFEDLO N#Cc1cc(NC[C@H]2CCC[N@@H+]2CC(F)F)nc2ccc([N+](=O)[O-])cc12 ZINC000599133639 521046974 /nfs/dbraw/zinc/04/69/74/521046974.db2.gz KAMQBQLYOPXISA-CYBMUJFWSA-N 1 2 361.352 2.578 20 30 FFEDLO N#Cc1cc(NC[C@H]2CCC[N@H+]2CC(F)F)nc2ccc([N+](=O)[O-])cc12 ZINC000599133639 521046981 /nfs/dbraw/zinc/04/69/81/521046981.db2.gz KAMQBQLYOPXISA-CYBMUJFWSA-N 1 2 361.352 2.578 20 30 FFEDLO Cc1ccn2cc(CNS(=O)(=O)c3ccc(C(C)(C)C#N)cc3)[nH+]c2c1 ZINC000593534649 521057897 /nfs/dbraw/zinc/05/78/97/521057897.db2.gz NVTWRRHYFPQWCB-UHFFFAOYSA-N 1 2 368.462 2.922 20 30 FFEDLO CCO[C@@H](C)c1noc(CN2CC[NH+](Cc3ccc(C)c(C#N)c3)CC2)n1 ZINC000599300882 521135128 /nfs/dbraw/zinc/13/51/28/521135128.db2.gz YMXGGBNKPKDYHF-INIZCTEOSA-N 1 2 369.469 2.665 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCc2ccc(C#N)cc2F)cc1 ZINC000602094782 521137667 /nfs/dbraw/zinc/13/76/67/521137667.db2.gz WGCHOMJVYNGOCD-IBGZPJMESA-N 1 2 353.397 2.597 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCc2ccc(C#N)cc2F)cc1 ZINC000602094782 521137679 /nfs/dbraw/zinc/13/76/79/521137679.db2.gz WGCHOMJVYNGOCD-IBGZPJMESA-N 1 2 353.397 2.597 20 30 FFEDLO Cn1cc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c(C(C)(C)C)n1 ZINC000611410832 521142015 /nfs/dbraw/zinc/14/20/15/521142015.db2.gz RAPTVILFVGUDEW-UHFFFAOYSA-N 1 2 368.485 2.777 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCc1noc(CC2(C#N)CCOCC2)n1 ZINC000596594289 521151577 /nfs/dbraw/zinc/15/15/77/521151577.db2.gz TYAUTDRJPWUNNA-UHFFFAOYSA-N 1 2 351.410 2.833 20 30 FFEDLO CC1(C)Cc2n[nH]cc2C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000596599719 521159716 /nfs/dbraw/zinc/15/97/16/521159716.db2.gz WYNLUETWVNTROA-UHFFFAOYSA-N 1 2 357.845 2.958 20 30 FFEDLO CC1(C)Cc2n[nH]cc2C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000596599719 521159721 /nfs/dbraw/zinc/15/97/21/521159721.db2.gz WYNLUETWVNTROA-UHFFFAOYSA-N 1 2 357.845 2.958 20 30 FFEDLO N#C[C@]1(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CCc2ccccc2C1 ZINC000602141983 521169130 /nfs/dbraw/zinc/16/91/30/521169130.db2.gz RZOBPMHJJVIVAC-RDJZCZTQSA-N 1 2 362.355 2.944 20 30 FFEDLO CCc1c[nH]c(CC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)[nH+]1 ZINC000602153387 521175869 /nfs/dbraw/zinc/17/58/69/521175869.db2.gz PXJXHMXSFPYMDT-UHFFFAOYSA-N 1 2 356.401 2.595 20 30 FFEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000614924721 521194225 /nfs/dbraw/zinc/19/42/25/521194225.db2.gz LCNBEVVCKKHPBZ-MLGOLLRUSA-N 1 2 355.360 2.929 20 30 FFEDLO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000614924721 521194234 /nfs/dbraw/zinc/19/42/34/521194234.db2.gz LCNBEVVCKKHPBZ-MLGOLLRUSA-N 1 2 355.360 2.929 20 30 FFEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC(Nc3ccccc3C#N)CC1)CC2 ZINC000602184121 521197007 /nfs/dbraw/zinc/19/70/07/521197007.db2.gz SYZWODWQAWJWET-MRXNPFEDSA-N 1 2 363.465 2.729 20 30 FFEDLO N#CCn1c(C(=O)N2CC[NH+](CCc3ccncc3)CC2)cc2ccccc21 ZINC000602199675 521205294 /nfs/dbraw/zinc/20/52/94/521205294.db2.gz PAEOZZOAYDIQJI-UHFFFAOYSA-N 1 2 373.460 2.560 20 30 FFEDLO N#Cc1ccc(Cl)c(C(=O)N2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000602201632 521205593 /nfs/dbraw/zinc/20/55/93/521205593.db2.gz ZRSLMZHFAPPVIE-UHFFFAOYSA-N 1 2 354.841 2.607 20 30 FFEDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000611555226 521217910 /nfs/dbraw/zinc/21/79/10/521217910.db2.gz SFDYXOXUIDBJRP-TZMCWYRMSA-N 1 2 360.401 2.995 20 30 FFEDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000611555226 521217919 /nfs/dbraw/zinc/21/79/19/521217919.db2.gz SFDYXOXUIDBJRP-TZMCWYRMSA-N 1 2 360.401 2.995 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC000602336753 521287848 /nfs/dbraw/zinc/28/78/48/521287848.db2.gz ZVJRVIBATCZSEZ-SFHVURJKSA-N 1 2 358.829 2.681 20 30 FFEDLO C=CCCn1cc(C[S@](=O)Cc2[nH+]ccn2Cc2ccccc2)nn1 ZINC000593935647 521300186 /nfs/dbraw/zinc/30/01/86/521300186.db2.gz GBTZHSRPFNVYLO-VWLOTQADSA-N 1 2 355.467 2.548 20 30 FFEDLO COc1ccccc1N1CC[C@H]([N@@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000599677607 521392199 /nfs/dbraw/zinc/39/21/99/521392199.db2.gz ALFKZYNRPGDZTC-FQEVSTJZSA-N 1 2 361.445 2.925 20 30 FFEDLO COc1ccccc1N1CC[C@H]([N@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000599677607 521392206 /nfs/dbraw/zinc/39/22/06/521392206.db2.gz ALFKZYNRPGDZTC-FQEVSTJZSA-N 1 2 361.445 2.925 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)Nc1cccc3nsnc31)C2 ZINC000599678233 521393241 /nfs/dbraw/zinc/39/32/41/521393241.db2.gz SBSOAIUFVQTVOK-UHFFFAOYSA-N 1 2 363.446 2.754 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)Nc1cccc3nsnc31)C2 ZINC000599678233 521393250 /nfs/dbraw/zinc/39/32/50/521393250.db2.gz SBSOAIUFVQTVOK-UHFFFAOYSA-N 1 2 363.446 2.754 20 30 FFEDLO CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685713 521400155 /nfs/dbraw/zinc/40/01/55/521400155.db2.gz ICXBYFZJIGCDPC-OAHLLOKOSA-N 1 2 351.454 2.915 20 30 FFEDLO CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685713 521400162 /nfs/dbraw/zinc/40/01/62/521400162.db2.gz ICXBYFZJIGCDPC-OAHLLOKOSA-N 1 2 351.454 2.915 20 30 FFEDLO Cc1ccnc(N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)c1C#N ZINC000612073330 521467056 /nfs/dbraw/zinc/46/70/56/521467056.db2.gz QQAJSPLGRAXOBH-UHFFFAOYSA-N 1 2 366.856 2.885 20 30 FFEDLO Cn1c2ccc(NC(=O)C(=O)N3CCC[C@](C)(C#N)C3)cc2[nH+]c1C1CC1 ZINC000612269426 521553076 /nfs/dbraw/zinc/55/30/76/521553076.db2.gz AEHRQGBNSAKTDB-HXUWFJFHSA-N 1 2 365.437 2.541 20 30 FFEDLO Cc1nc2ccc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2n1C ZINC000619424424 521560565 /nfs/dbraw/zinc/56/05/65/521560565.db2.gz CSMHCAHZFRPUKJ-UHFFFAOYSA-N 1 2 373.460 2.711 20 30 FFEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)ccn1 ZINC000619425060 521561645 /nfs/dbraw/zinc/56/16/45/521561645.db2.gz DRQKRYOKEXGQKN-UHFFFAOYSA-N 1 2 374.366 2.930 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC(F)(F)F)cc1 ZINC000597183792 521563228 /nfs/dbraw/zinc/56/32/28/521563228.db2.gz KBMIZWUTCRIRST-NHYWBVRUSA-N 1 2 364.327 2.794 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(OC(F)(F)F)cc1 ZINC000597183792 521563232 /nfs/dbraw/zinc/56/32/32/521563232.db2.gz KBMIZWUTCRIRST-NHYWBVRUSA-N 1 2 364.327 2.794 20 30 FFEDLO C=C(C)Cn1c([C@H](C)CC)n[n-]c1=[NH+]c1cnn(C2CC[NH+](C)CC2)c1 ZINC000634373007 523377975 /nfs/dbraw/zinc/37/79/75/523377975.db2.gz JWHXENVDAJHMNA-OAHLLOKOSA-N 1 2 357.506 2.996 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000623048106 523646522 /nfs/dbraw/zinc/64/65/22/523646522.db2.gz DDZSPVCSYSVBRL-LJQANCHMSA-N 1 2 373.541 2.934 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000623048106 523646532 /nfs/dbraw/zinc/64/65/32/523646532.db2.gz DDZSPVCSYSVBRL-LJQANCHMSA-N 1 2 373.541 2.934 20 30 FFEDLO N#Cc1c(F)cccc1N1CCC[C@@H](c2n[nH]cc2C[NH+]2CCOCC2)C1 ZINC000275517071 526523780 /nfs/dbraw/zinc/52/37/80/526523780.db2.gz DOSJAFXZWZTHEY-OAHLLOKOSA-N 1 2 369.444 2.637 20 30 FFEDLO Cn1cc(C#N)c(=NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)[nH]1 ZINC000610876593 554573816 /nfs/dbraw/zinc/57/38/16/554573816.db2.gz AIJWCLWKNNMTFN-SJORKVTESA-N 1 2 361.409 2.539 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)c1C#N ZINC000530261242 562404603 /nfs/dbraw/zinc/40/46/03/562404603.db2.gz IMESFINDDFFBAZ-CABCVRRESA-N 1 2 355.417 2.705 20 30 FFEDLO C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000833551105 604925196 /nfs/dbraw/zinc/92/51/96/604925196.db2.gz QSXFCYOEORSGHE-YWZLYKJASA-N 1 2 364.449 2.894 20 30 FFEDLO C=CC[N@@H+](CC(=O)c1cc(C)[nH]c1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903633 609267978 /nfs/dbraw/zinc/26/79/78/609267978.db2.gz FOUUDDGEIJMSFW-UHFFFAOYSA-N 1 2 350.426 2.683 20 30 FFEDLO C=CC[N@H+](CC(=O)c1cc(C)[nH]c1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903633 609267980 /nfs/dbraw/zinc/26/79/80/609267980.db2.gz FOUUDDGEIJMSFW-UHFFFAOYSA-N 1 2 350.426 2.683 20 30 FFEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1=S ZINC000155466471 728829525 /nfs/dbraw/zinc/82/95/25/728829525.db2.gz NZWTVKLOWIYQMZ-ZBFHGGJFSA-N 1 2 359.499 2.855 20 30 FFEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1=S ZINC000155466471 728829529 /nfs/dbraw/zinc/82/95/29/728829529.db2.gz NZWTVKLOWIYQMZ-ZBFHGGJFSA-N 1 2 359.499 2.855 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)CSc2cccc(C(F)(F)F)c2)CC1 ZINC000744371352 735351264 /nfs/dbraw/zinc/35/12/64/735351264.db2.gz VHJNLADEKFMXAZ-UHFFFAOYSA-N 1 2 356.413 2.965 20 30 FFEDLO C=CCc1cc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc(OC)c1OC ZINC000898485783 735367404 /nfs/dbraw/zinc/36/74/04/735367404.db2.gz NWXYVIMIFSIYAM-MRXNPFEDSA-N 1 2 350.434 2.596 20 30 FFEDLO C=CCc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc(OC)c1OC ZINC000898485783 735367409 /nfs/dbraw/zinc/36/74/09/735367409.db2.gz NWXYVIMIFSIYAM-MRXNPFEDSA-N 1 2 350.434 2.596 20 30 FFEDLO C#CCSCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000120071928 728605237 /nfs/dbraw/zinc/60/52/37/728605237.db2.gz IXDDYUVQYPJRFH-HOTGVXAUSA-N 1 2 369.893 2.890 20 30 FFEDLO C#CCSCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000120071928 728605238 /nfs/dbraw/zinc/60/52/38/728605238.db2.gz IXDDYUVQYPJRFH-HOTGVXAUSA-N 1 2 369.893 2.890 20 30 FFEDLO C[N@H+](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CCSC1 ZINC000123649090 728660856 /nfs/dbraw/zinc/66/08/56/728660856.db2.gz AZQLXCGSKLULAT-VXGBXAGGSA-N 1 2 369.849 2.564 20 30 FFEDLO C[N@@H+](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CCSC1 ZINC000123649090 728660858 /nfs/dbraw/zinc/66/08/58/728660858.db2.gz AZQLXCGSKLULAT-VXGBXAGGSA-N 1 2 369.849 2.564 20 30 FFEDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000130502391 728718706 /nfs/dbraw/zinc/71/87/06/728718706.db2.gz XYTGOKFRDALSDW-KRWDZBQOSA-N 1 2 358.467 2.509 20 30 FFEDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000130502391 728718707 /nfs/dbraw/zinc/71/87/07/728718707.db2.gz XYTGOKFRDALSDW-KRWDZBQOSA-N 1 2 358.467 2.509 20 30 FFEDLO Cc1cc(C(N)=[NH+]OCC(=O)N2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000193585297 729483772 /nfs/dbraw/zinc/48/37/72/729483772.db2.gz OYQXWZYDEGCULH-LBPRGKRZSA-N 1 2 361.339 2.572 20 30 FFEDLO C#CC[C@@H](COC)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000860307351 730500143 /nfs/dbraw/zinc/50/01/43/730500143.db2.gz RKDGJPVGGSUFFN-KBPBESRZSA-N 1 2 350.488 2.535 20 30 FFEDLO C#CC[C@@H](COC)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000860307351 730500146 /nfs/dbraw/zinc/50/01/46/730500146.db2.gz RKDGJPVGGSUFFN-KBPBESRZSA-N 1 2 350.488 2.535 20 30 FFEDLO N#CCc1ccsc1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000864573321 730861058 /nfs/dbraw/zinc/86/10/58/730861058.db2.gz KBXPBVLMYSYWAR-UHFFFAOYSA-N 1 2 355.463 2.576 20 30 FFEDLO C=C(Cl)C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(=O)OCC ZINC000870029206 731464135 /nfs/dbraw/zinc/46/41/35/731464135.db2.gz LDKACPPDISMWEB-MRXNPFEDSA-N 1 2 361.829 2.736 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)ccc1OC ZINC000877789836 732432267 /nfs/dbraw/zinc/43/22/67/732432267.db2.gz CSQXCOYOGGDCEC-SJORKVTESA-N 1 2 365.495 2.517 20 30 FFEDLO C=C(C)COc1cc(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)ccc1OC ZINC000877789836 732432269 /nfs/dbraw/zinc/43/22/69/732432269.db2.gz CSQXCOYOGGDCEC-SJORKVTESA-N 1 2 365.495 2.517 20 30 FFEDLO N#Cc1ccc(C[N@@H+](CC2CC2)[C@@H](C(N)=O)C2CC2)c(Br)c1 ZINC000879485308 732709488 /nfs/dbraw/zinc/70/94/88/732709488.db2.gz DCAKSHBOYGWGRD-MRXNPFEDSA-N 1 2 362.271 2.797 20 30 FFEDLO N#Cc1ccc(C[N@H+](CC2CC2)[C@@H](C(N)=O)C2CC2)c(Br)c1 ZINC000879485308 732709490 /nfs/dbraw/zinc/70/94/90/732709490.db2.gz DCAKSHBOYGWGRD-MRXNPFEDSA-N 1 2 362.271 2.797 20 30 FFEDLO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)Nc2sccc2C#N)no1 ZINC000879683913 732750564 /nfs/dbraw/zinc/75/05/64/732750564.db2.gz ZLUGLJOZYAVZCK-AGUYFDCRSA-N 1 2 357.439 2.660 20 30 FFEDLO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)Nc2sccc2C#N)no1 ZINC000879683913 732750566 /nfs/dbraw/zinc/75/05/66/732750566.db2.gz ZLUGLJOZYAVZCK-AGUYFDCRSA-N 1 2 357.439 2.660 20 30 FFEDLO Cc1csc([C@H]2CC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000880008520 732818671 /nfs/dbraw/zinc/81/86/71/732818671.db2.gz DRBFQBXCPYKRLI-UONOGXRCSA-N 1 2 358.492 2.980 20 30 FFEDLO Cc1csc([C@H]2CC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000880008520 732818678 /nfs/dbraw/zinc/81/86/78/732818678.db2.gz DRBFQBXCPYKRLI-UONOGXRCSA-N 1 2 358.492 2.980 20 30 FFEDLO C(#CC[N@@H+]1CC[C@H](c2nccs2)C1)C[NH+]1CC[C@@H](c2nccs2)C1 ZINC000880319089 732887555 /nfs/dbraw/zinc/88/75/55/732887555.db2.gz ASRWQHIUOJJHAQ-IYBDPMFKSA-N 1 2 358.536 2.882 20 30 FFEDLO C(#CC[N@H+]1CC[C@H](c2nccs2)C1)C[NH+]1CC[C@@H](c2nccs2)C1 ZINC000880319089 732887556 /nfs/dbraw/zinc/88/75/56/732887556.db2.gz ASRWQHIUOJJHAQ-IYBDPMFKSA-N 1 2 358.536 2.882 20 30 FFEDLO C(#CC[N@@H+]1CC[C@@H](c2nccs2)C1)CN1CC[C@H](c2nccs2)C1 ZINC000880319089 732887560 /nfs/dbraw/zinc/88/75/60/732887560.db2.gz ASRWQHIUOJJHAQ-IYBDPMFKSA-N 1 2 358.536 2.882 20 30 FFEDLO C(#CC[N@H+]1CC[C@@H](c2nccs2)C1)CN1CC[C@H](c2nccs2)C1 ZINC000880319089 732887563 /nfs/dbraw/zinc/88/75/63/732887563.db2.gz ASRWQHIUOJJHAQ-IYBDPMFKSA-N 1 2 358.536 2.882 20 30 FFEDLO C(#CC[N@H+]1CC[C@H](c2nccs2)C1)CN1CC[C@@H](c2nccs2)C1 ZINC000880319089 732887571 /nfs/dbraw/zinc/88/75/71/732887571.db2.gz ASRWQHIUOJJHAQ-IYBDPMFKSA-N 1 2 358.536 2.882 20 30 FFEDLO C#CCC1(O)CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000880483651 732914022 /nfs/dbraw/zinc/91/40/22/732914022.db2.gz IGLZZOTVRXNDOE-MRXNPFEDSA-N 1 2 367.276 2.949 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000884198309 733493733 /nfs/dbraw/zinc/49/37/33/733493733.db2.gz RYUJVUUODBQLHA-HNNXBMFYSA-N 1 2 365.861 2.715 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000884321864 733511617 /nfs/dbraw/zinc/51/16/17/733511617.db2.gz AKGUPBVYKLZLKD-STQMWFEESA-N 1 2 353.488 2.541 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(OC)c(Cl)cc1C1CC1 ZINC000884392530 733519982 /nfs/dbraw/zinc/51/99/82/733519982.db2.gz FDMJCCADUADHPC-ZDUSSCGKSA-N 1 2 352.818 2.611 20 30 FFEDLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)C[C@H](O)CC2(C#N)CCC2)n1 ZINC000886027826 733741337 /nfs/dbraw/zinc/74/13/37/733741337.db2.gz IVMCGSXJTRCHSR-HUUCEWRRSA-N 1 2 350.463 2.680 20 30 FFEDLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)C[C@H](O)CC2(C#N)CCC2)n1 ZINC000886027826 733741341 /nfs/dbraw/zinc/74/13/41/733741341.db2.gz IVMCGSXJTRCHSR-HUUCEWRRSA-N 1 2 350.463 2.680 20 30 FFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCc3nccc(Br)c3C2)CCC1 ZINC000886265217 733767406 /nfs/dbraw/zinc/76/74/06/733767406.db2.gz BBYWZWJNZHPTCB-LBPRGKRZSA-N 1 2 350.260 2.647 20 30 FFEDLO N#CC1(C[C@H](O)C[N@H+]2CCc3nccc(Br)c3C2)CCC1 ZINC000886265217 733767409 /nfs/dbraw/zinc/76/74/09/733767409.db2.gz BBYWZWJNZHPTCB-LBPRGKRZSA-N 1 2 350.260 2.647 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c(OC(F)F)c1 ZINC000886799500 733838642 /nfs/dbraw/zinc/83/86/42/733838642.db2.gz RYQPUFQBHUEURU-AWEZNQCLSA-N 1 2 350.287 2.906 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c(OC(F)F)c1 ZINC000886799500 733838644 /nfs/dbraw/zinc/83/86/44/733838644.db2.gz RYQPUFQBHUEURU-AWEZNQCLSA-N 1 2 350.287 2.906 20 30 FFEDLO C[NH+](C)[C@@H](C(=O)N1CCC2(CC1)CC(=O)C=CO2)c1ccc(Cl)cc1 ZINC000887769667 733973728 /nfs/dbraw/zinc/97/37/28/733973728.db2.gz QOSAGPDQRXUVBA-QGZVFWFLSA-N 1 2 362.857 2.807 20 30 FFEDLO CN(CCC#N)c1ccc(C=[NH+]Nc2ccccc2S(C)(=O)=O)cc1 ZINC000731932657 734706477 /nfs/dbraw/zinc/70/64/77/734706477.db2.gz FCPBKNHFGMTYGM-UHFFFAOYSA-N 1 2 356.451 2.886 20 30 FFEDLO Cn1nc2c(c1C[NH+]1CCC(C#N)(c3ccccn3)CC1)CSCC2 ZINC000894665139 734898012 /nfs/dbraw/zinc/89/80/12/734898012.db2.gz LIGFUWUUDQDQNE-UHFFFAOYSA-N 1 2 353.495 2.662 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(-c2cc(Cl)ccc2OC)[nH]n1 ZINC000735331765 734942260 /nfs/dbraw/zinc/94/22/60/734942260.db2.gz QFWJGESMGNQJBF-HNNXBMFYSA-N 1 2 358.829 2.775 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(-c2cc(Cl)ccc2OC)[nH]n1 ZINC000735331765 734942263 /nfs/dbraw/zinc/94/22/63/734942263.db2.gz QFWJGESMGNQJBF-HNNXBMFYSA-N 1 2 358.829 2.775 20 30 FFEDLO C/C(=C\C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)C[NH+]1CCOCC1 ZINC000900608382 735668049 /nfs/dbraw/zinc/66/80/49/735668049.db2.gz MZTGKMNXVVOTHN-SAAWKEMMSA-N 1 2 368.264 2.953 20 30 FFEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1=S ZINC000752810211 736014260 /nfs/dbraw/zinc/01/42/60/736014260.db2.gz JARHJTDXPLAJKW-HOCLYGCPSA-N 1 2 359.499 2.855 20 30 FFEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1=S ZINC000752810211 736014265 /nfs/dbraw/zinc/01/42/65/736014265.db2.gz JARHJTDXPLAJKW-HOCLYGCPSA-N 1 2 359.499 2.855 20 30 FFEDLO C=C(Cl)CNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000754199207 736134871 /nfs/dbraw/zinc/13/48/71/736134871.db2.gz GXGVISUSPFASLK-UHFFFAOYSA-N 1 2 371.666 2.999 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000904081855 736218278 /nfs/dbraw/zinc/21/82/78/736218278.db2.gz WFQRAIKWLAKLIM-LBPRGKRZSA-N 1 2 356.209 2.566 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(C(C)(C)c2cccc(Cl)c2F)no1 ZINC000904112095 736222538 /nfs/dbraw/zinc/22/25/38/736222538.db2.gz UFQFNMFJRFQQPI-LBPRGKRZSA-N 1 2 367.808 2.787 20 30 FFEDLO N#Cc1ccc(-c2ccn(C[NH+]3CCC(O)(C(F)(F)F)CC3)n2)cc1 ZINC000760286334 736627192 /nfs/dbraw/zinc/62/71/92/736627192.db2.gz ZIDDPEUBOCYGOR-UHFFFAOYSA-N 1 2 350.344 2.768 20 30 FFEDLO COc1ccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1C#N ZINC000763382957 736934139 /nfs/dbraw/zinc/93/41/39/736934139.db2.gz MQGCUOUBPXDVHM-INIZCTEOSA-N 1 2 374.238 2.646 20 30 FFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000769961143 737587182 /nfs/dbraw/zinc/58/71/82/737587182.db2.gz OUOLMHOXWHMZFQ-GFCCVEGCSA-N 1 2 359.451 2.719 20 30 FFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000769961143 737587186 /nfs/dbraw/zinc/58/71/86/737587186.db2.gz OUOLMHOXWHMZFQ-GFCCVEGCSA-N 1 2 359.451 2.719 20 30 FFEDLO Cc1ccc(C)c(S(=O)(=O)NN=Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000917024239 737736768 /nfs/dbraw/zinc/73/67/68/737736768.db2.gz ALBKXWAHMRZOAZ-UHFFFAOYSA-N 1 2 354.435 2.802 20 30 FFEDLO C#CCC[NH+]1CCN(CC[S@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000776594832 738212729 /nfs/dbraw/zinc/21/27/29/738212729.db2.gz XZZCKHCMHQYQOC-QFIPXVFZSA-N 1 2 359.322 2.742 20 30 FFEDLO Cc1ncsc1/C=C/C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000777231244 738273808 /nfs/dbraw/zinc/27/38/08/738273808.db2.gz PWVHRBFOAWPIBY-VOTSOKGWSA-N 1 2 352.463 2.681 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@H]3CCC[C@H](C(F)(F)F)O3)CC2)nc1 ZINC000929328377 738970016 /nfs/dbraw/zinc/97/00/16/738970016.db2.gz VKKBDMOYHCRMKQ-HUUCEWRRSA-N 1 2 354.376 2.575 20 30 FFEDLO Clc1c(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)cnn1Cc1ccccc1 ZINC000789033673 739310482 /nfs/dbraw/zinc/31/04/82/739310482.db2.gz IWXDBEWJBRKZCO-IYBDPMFKSA-N 1 2 356.861 2.779 20 30 FFEDLO CCN(C)c1ccc(C=[NH+]Nc2ccc(S(=O)(=O)C(F)F)cc2)cn1 ZINC000790164905 739423829 /nfs/dbraw/zinc/42/38/29/739423829.db2.gz FUUYWIVQMDOEQA-UHFFFAOYSA-N 1 2 368.409 2.980 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2nc(C#N)cs2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC000932709555 739500352 /nfs/dbraw/zinc/50/03/52/739500352.db2.gz IWBJPPINJLLZFO-CHWSQXEVSA-N 1 2 350.488 2.997 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC000932709555 739500354 /nfs/dbraw/zinc/50/03/54/739500354.db2.gz IWBJPPINJLLZFO-CHWSQXEVSA-N 1 2 350.488 2.997 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932820156 739524419 /nfs/dbraw/zinc/52/44/19/739524419.db2.gz JIWIDTLRDSDBMW-UHFFFAOYSA-N 1 2 359.495 2.868 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933396223 739615080 /nfs/dbraw/zinc/61/50/80/739615080.db2.gz JMCAQSBJDZXHOW-LLVKDONJSA-N 1 2 356.451 2.668 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933396223 739615085 /nfs/dbraw/zinc/61/50/85/739615085.db2.gz JMCAQSBJDZXHOW-LLVKDONJSA-N 1 2 356.451 2.668 20 30 FFEDLO C[N@H+](CCN(Cc1ccccc1)S(C)(=O)=O)Cc1cc(C#N)cs1 ZINC000933773581 739687976 /nfs/dbraw/zinc/68/79/76/739687976.db2.gz OKEZIXQQKGBXBV-UHFFFAOYSA-N 1 2 363.508 2.513 20 30 FFEDLO C[N@@H+](CCN(Cc1ccccc1)S(C)(=O)=O)Cc1cc(C#N)cs1 ZINC000933773581 739687978 /nfs/dbraw/zinc/68/79/78/739687978.db2.gz OKEZIXQQKGBXBV-UHFFFAOYSA-N 1 2 363.508 2.513 20 30 FFEDLO Cn1cc([C@@H]2CSCCC[N@@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])cn1 ZINC000933976184 739713484 /nfs/dbraw/zinc/71/34/84/739713484.db2.gz PLDXWNRBUCTHQK-KRWDZBQOSA-N 1 2 357.439 2.880 20 30 FFEDLO Cn1cc([C@@H]2CSCCC[N@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])cn1 ZINC000933976184 739713487 /nfs/dbraw/zinc/71/34/87/739713487.db2.gz PLDXWNRBUCTHQK-KRWDZBQOSA-N 1 2 357.439 2.880 20 30 FFEDLO C#CCNC(=O)C1CC[NH+](Cc2c(F)cccc2OC(F)(F)F)CC1 ZINC000793585939 739796803 /nfs/dbraw/zinc/79/68/03/739796803.db2.gz ZLCDEBGMDDLGAR-UHFFFAOYSA-N 1 2 358.335 2.686 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C[C@H](C)N1CC(F)(F)F ZINC000934793297 739843998 /nfs/dbraw/zinc/84/39/98/739843998.db2.gz LHQGDWBHTNQBDY-AEJSXWLSSA-N 1 2 372.300 2.892 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C[C@H](C)N1CC(F)(F)F ZINC000934793297 739844002 /nfs/dbraw/zinc/84/40/02/739844002.db2.gz LHQGDWBHTNQBDY-AEJSXWLSSA-N 1 2 372.300 2.892 20 30 FFEDLO CCc1ccc(N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)cc1Cl ZINC000796142152 740106983 /nfs/dbraw/zinc/10/69/83/740106983.db2.gz ZVSCZFNLLAFEGJ-HNNXBMFYSA-N 1 2 362.905 2.785 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000798274778 740318836 /nfs/dbraw/zinc/31/88/36/740318836.db2.gz KJMBBALCXHAFTC-TZMCWYRMSA-N 1 2 351.834 2.894 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2nc(C)c(C)s2)C1 ZINC000970570165 740752649 /nfs/dbraw/zinc/75/26/49/740752649.db2.gz HQOBFYPQKYACNQ-SKDZVZGDSA-N 1 2 363.527 2.678 20 30 FFEDLO CN(C)S(=O)(=O)c1ccc(N[NH+]=C2CCCNc3ccccc32)cc1 ZINC000812231681 741599169 /nfs/dbraw/zinc/59/91/69/741599169.db2.gz ZLNHSEGQHUKPCT-UHFFFAOYSA-N 1 2 358.467 2.959 20 30 FFEDLO N#CCCCC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000812462861 741622186 /nfs/dbraw/zinc/62/21/86/741622186.db2.gz XAFDGJJSDOPMDJ-UHFFFAOYSA-N 1 2 355.360 2.923 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@H+](Cc2ncc(C)s2)CC1 ZINC001001256058 742113576 /nfs/dbraw/zinc/11/35/76/742113576.db2.gz HZTAUKJSMIUUKK-WMZOPIPTSA-N 1 2 361.511 2.681 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@@H+](Cc2ncc(C)s2)CC1 ZINC001001256058 742113579 /nfs/dbraw/zinc/11/35/79/742113579.db2.gz HZTAUKJSMIUUKK-WMZOPIPTSA-N 1 2 361.511 2.681 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC001007360234 742327088 /nfs/dbraw/zinc/32/70/88/742327088.db2.gz OYPSHGLJODLTLU-NUJGCVRESA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccncc2Cl)C1 ZINC001007360234 742327092 /nfs/dbraw/zinc/32/70/92/742327092.db2.gz OYPSHGLJODLTLU-NUJGCVRESA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001007360409 742327487 /nfs/dbraw/zinc/32/74/87/742327487.db2.gz RDRSVOAJWJPVLC-BBWFWOEESA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001007360409 742327491 /nfs/dbraw/zinc/32/74/91/742327491.db2.gz RDRSVOAJWJPVLC-BBWFWOEESA-N 1 2 363.889 2.797 20 30 FFEDLO C#C[C@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000820755712 742545395 /nfs/dbraw/zinc/54/53/95/742545395.db2.gz OEWUUFCHNHCHAS-INIZCTEOSA-N 1 2 367.852 2.563 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)n1 ZINC001024659660 742732610 /nfs/dbraw/zinc/73/26/10/742732610.db2.gz GQWLEKIVEBNPAE-BBWFWOEESA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)n1 ZINC001024659660 742732614 /nfs/dbraw/zinc/73/26/14/742732614.db2.gz GQWLEKIVEBNPAE-BBWFWOEESA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1csc(C2CC2)n1 ZINC001028141272 742785533 /nfs/dbraw/zinc/78/55/33/742785533.db2.gz ARTOCNARELCSEL-ZACQAIPSSA-N 1 2 361.511 2.692 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1csc(C2CC2)n1 ZINC001028141272 742785537 /nfs/dbraw/zinc/78/55/37/742785537.db2.gz ARTOCNARELCSEL-ZACQAIPSSA-N 1 2 361.511 2.692 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](CCOC2CCCCCC2)C1 ZINC001030332564 742828884 /nfs/dbraw/zinc/82/88/84/742828884.db2.gz NGOANYNDKHFHSX-MOPGFXCFSA-N 1 2 350.503 2.507 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC001032410262 742860075 /nfs/dbraw/zinc/86/00/75/742860075.db2.gz STNYULCZQTUFPF-FDWJRUBYSA-N 1 2 354.416 2.910 20 30 FFEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC001032410262 742860087 /nfs/dbraw/zinc/86/00/87/742860087.db2.gz STNYULCZQTUFPF-FDWJRUBYSA-N 1 2 354.416 2.910 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC001033432629 742887711 /nfs/dbraw/zinc/88/77/11/742887711.db2.gz PWELUVYQPCHHAI-INMHGKMJSA-N 1 2 350.409 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001033432629 742887720 /nfs/dbraw/zinc/88/77/20/742887720.db2.gz PWELUVYQPCHHAI-INMHGKMJSA-N 1 2 350.409 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCOc1ccccc1Cl ZINC001038720836 742980768 /nfs/dbraw/zinc/98/07/68/742980768.db2.gz SYUNXOGYEFEERU-INMHGKMJSA-N 1 2 364.873 2.500 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCOc1ccccc1Cl ZINC001038720836 742980775 /nfs/dbraw/zinc/98/07/75/742980775.db2.gz SYUNXOGYEFEERU-INMHGKMJSA-N 1 2 364.873 2.500 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001046329283 743318587 /nfs/dbraw/zinc/31/85/87/743318587.db2.gz NPESMBCJMGOHPY-UXLLHSPISA-N 1 2 364.287 2.674 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001046329283 743318598 /nfs/dbraw/zinc/31/85/98/743318598.db2.gz NPESMBCJMGOHPY-UXLLHSPISA-N 1 2 364.287 2.674 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2C/C(Cl)=C/Cl ZINC001049731527 743481863 /nfs/dbraw/zinc/48/18/63/743481863.db2.gz BGQRXJRJFWCUIO-AQKSRHPESA-N 1 2 359.297 2.962 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C/C(Cl)=C/Cl ZINC001049731527 743481870 /nfs/dbraw/zinc/48/18/70/743481870.db2.gz BGQRXJRJFWCUIO-AQKSRHPESA-N 1 2 359.297 2.962 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(=C)Br ZINC001049734371 743483539 /nfs/dbraw/zinc/48/35/39/743483539.db2.gz DGXBOJQIKCTZPZ-UGUYLWEFSA-N 1 2 369.303 2.551 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(=C)Br ZINC001049734371 743483543 /nfs/dbraw/zinc/48/35/43/743483543.db2.gz DGXBOJQIKCTZPZ-UGUYLWEFSA-N 1 2 369.303 2.551 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cscn1 ZINC001049777457 743486989 /nfs/dbraw/zinc/48/69/89/743486989.db2.gz ICDZYUUBSOSPHS-MHORFTMASA-N 1 2 361.511 2.690 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cscn1 ZINC001049777457 743486993 /nfs/dbraw/zinc/48/69/93/743486993.db2.gz ICDZYUUBSOSPHS-MHORFTMASA-N 1 2 361.511 2.690 20 30 FFEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)CCO2 ZINC001053466500 744983962 /nfs/dbraw/zinc/98/39/62/744983962.db2.gz TVDOKPGKBGWMRT-ZWKOTPCHSA-N 1 2 360.885 2.933 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)CO2 ZINC001053833265 744999538 /nfs/dbraw/zinc/99/95/38/744999538.db2.gz XZPKRQDBJNKHQK-RBSFLKMASA-N 1 2 360.420 2.891 20 30 FFEDLO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NNC=C3CC3(F)F)[nH+]c2)C1 ZINC000834930950 745925028 /nfs/dbraw/zinc/92/50/28/745925028.db2.gz YUHNVUQPHTXFHM-XQQFMLRXSA-N 1 2 372.441 2.801 20 30 FFEDLO C[N@H+](CCNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000839135174 746785190 /nfs/dbraw/zinc/78/51/90/746785190.db2.gz FNNBLRBSNLPGDM-UHFFFAOYSA-N 1 2 366.849 2.607 20 30 FFEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000839135174 746785193 /nfs/dbraw/zinc/78/51/93/746785193.db2.gz FNNBLRBSNLPGDM-UHFFFAOYSA-N 1 2 366.849 2.607 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)[C@H]1CCCO1 ZINC000839562628 746856813 /nfs/dbraw/zinc/85/68/13/746856813.db2.gz BMHHWFGXPQGZQN-TZMCWYRMSA-N 1 2 355.419 2.927 20 30 FFEDLO C=C(C)CONC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000845606605 748291120 /nfs/dbraw/zinc/29/11/20/748291120.db2.gz SOKZVHRTAFFDCA-UHFFFAOYSA-N 1 2 367.247 2.755 20 30 FFEDLO C#C[C@H]1CCCN(CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)C1 ZINC000847018283 748599916 /nfs/dbraw/zinc/59/99/16/748599916.db2.gz IUTFUEGYCSPQGA-INIZCTEOSA-N 1 2 360.527 2.659 20 30 FFEDLO Fc1cc(Br)cc2c1OCCC2=NNCCCn1cc[nH+]c1 ZINC000848418748 748921605 /nfs/dbraw/zinc/92/16/05/748921605.db2.gz SGDUDUUXGNQKRM-UHFFFAOYSA-N 1 2 367.222 2.951 20 30 FFEDLO N#Cc1cccc(NC(=O)CC[NH+]2CC(O)(c3ccc(Cl)cc3)C2)c1 ZINC000852021034 749753885 /nfs/dbraw/zinc/75/38/85/749753885.db2.gz VFSDTVNKTPNBQP-UHFFFAOYSA-N 1 2 355.825 2.744 20 30 FFEDLO C[C@]1(c2ccc(Cl)cc2)CC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853524394 750083119 /nfs/dbraw/zinc/08/31/19/750083119.db2.gz MRSISLLGVXTRNZ-IFXJQAMLSA-N 1 2 359.857 2.940 20 30 FFEDLO C[C@]1(c2ccc(Cl)cc2)CC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853524394 750083124 /nfs/dbraw/zinc/08/31/24/750083124.db2.gz MRSISLLGVXTRNZ-IFXJQAMLSA-N 1 2 359.857 2.940 20 30 FFEDLO C[C@@]1(c2cccc(Cl)c2)NC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853526798 750083803 /nfs/dbraw/zinc/08/38/03/750083803.db2.gz ZFKXDJJYRSRPHL-ACJLOTCBSA-N 1 2 360.845 2.690 20 30 FFEDLO C[C@@]1(c2cccc(Cl)c2)NC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853526798 750083806 /nfs/dbraw/zinc/08/38/06/750083806.db2.gz ZFKXDJJYRSRPHL-ACJLOTCBSA-N 1 2 360.845 2.690 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NC1CCC(CS(C)(=O)=O)CC1 ZINC000853650139 750126261 /nfs/dbraw/zinc/12/62/61/750126261.db2.gz BSRRJNHMPIOVQN-UHFFFAOYSA-N 1 2 350.484 2.889 20 30 FFEDLO CC(C)(C)n1cc(CO[NH+]=C(N)c2ccc(Br)cc2)nn1 ZINC000853684480 750135870 /nfs/dbraw/zinc/13/58/70/750135870.db2.gz DLIBROIXVUSPQL-UHFFFAOYSA-N 1 2 352.236 2.633 20 30 FFEDLO C=C(Br)C[NH+]1CCC(c2nccc(-c3cnn(C)c3)n2)CC1 ZINC000854103296 750241502 /nfs/dbraw/zinc/24/15/02/750241502.db2.gz LOWVXJDBVPPSCD-UHFFFAOYSA-N 1 2 362.275 2.965 20 30 FFEDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000871739728 1013050867 /nfs/dbraw/zinc/05/08/67/1013050867.db2.gz PVLVAUZQEBRQST-GOSISDBHSA-N 1 2 354.429 2.945 20 30 FFEDLO N#Cc1c(N)sc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)c1Cl ZINC001141107082 971187917 /nfs/dbraw/zinc/18/79/17/971187917.db2.gz PFECYCKBYAHBJA-RKDXNWHRSA-N 1 2 353.797 2.991 20 30 FFEDLO N#Cc1c(N)sc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)c1Cl ZINC001141107082 971187922 /nfs/dbraw/zinc/18/79/22/971187922.db2.gz PFECYCKBYAHBJA-RKDXNWHRSA-N 1 2 353.797 2.991 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](Nc1cc(C)[nH+]c(C2CC2)n1)C(C)C ZINC001105280438 971737540 /nfs/dbraw/zinc/73/75/40/971737540.db2.gz VHNIMHWKKADEIK-IKGGRYGDSA-N 1 2 358.486 2.806 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(F)c2F)CC1(C)C ZINC000975066043 972337159 /nfs/dbraw/zinc/33/71/59/972337159.db2.gz QMHWAFCCJSISJK-HYVNUMGLSA-N 1 2 364.436 2.883 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2F)CC1(C)C ZINC000975066043 972337163 /nfs/dbraw/zinc/33/71/63/972337163.db2.gz QMHWAFCCJSISJK-HYVNUMGLSA-N 1 2 364.436 2.883 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)CC2(C)C)O1 ZINC000975076137 972368595 /nfs/dbraw/zinc/36/85/95/972368595.db2.gz YRMGQGSFXHPIJC-FSPWUOQZSA-N 1 2 359.445 2.591 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)CC2(C)C)O1 ZINC000975076137 972368605 /nfs/dbraw/zinc/36/86/05/972368605.db2.gz YRMGQGSFXHPIJC-FSPWUOQZSA-N 1 2 359.445 2.591 20 30 FFEDLO C=CCC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1C)c1ccccc1 ZINC001211495694 959329184 /nfs/dbraw/zinc/32/91/84/959329184.db2.gz SYNBNFBZZPBSGC-LSTHTHJFSA-N 1 2 367.497 2.502 20 30 FFEDLO C=CCC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1C)c1ccccc1 ZINC001211495694 959329196 /nfs/dbraw/zinc/32/91/96/959329196.db2.gz SYNBNFBZZPBSGC-LSTHTHJFSA-N 1 2 367.497 2.502 20 30 FFEDLO CC#CCN1CC[NH+](CCNC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC001266292520 959507781 /nfs/dbraw/zinc/50/77/81/959507781.db2.gz LMRCHGAFRALCPF-FGZHOGPDSA-N 1 2 367.537 2.718 20 30 FFEDLO C[C@@H](NC(=O)[C@]12CCC[C@H]1OCC2)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970143044 960266254 /nfs/dbraw/zinc/26/62/54/960266254.db2.gz LSCAJMUKFQXODG-MMACOIQUSA-N 1 2 371.456 2.593 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872318006 1013209418 /nfs/dbraw/zinc/20/94/18/1013209418.db2.gz KJAMKUYJHDJKEJ-KRWDZBQOSA-N 1 2 363.465 2.669 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCN(C)c2ncccc2C1 ZINC000872318006 1013209430 /nfs/dbraw/zinc/20/94/30/1013209430.db2.gz KJAMKUYJHDJKEJ-KRWDZBQOSA-N 1 2 363.465 2.669 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CCCCO2)C3)c(F)c1 ZINC001095300344 1013212154 /nfs/dbraw/zinc/21/21/54/1013212154.db2.gz HWAWAIANONWJOT-UMGGQSCQSA-N 1 2 371.456 2.878 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CCCCO2)C3)c(F)c1 ZINC001095300344 1013212160 /nfs/dbraw/zinc/21/21/60/1013212160.db2.gz HWAWAIANONWJOT-UMGGQSCQSA-N 1 2 371.456 2.878 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC000970239833 960964452 /nfs/dbraw/zinc/96/44/52/960964452.db2.gz QXYXYOGMACODOJ-VKJFTORMSA-N 1 2 361.486 2.644 20 30 FFEDLO N#Cc1ccc(C(F)(F)F)cc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001174492613 1013222096 /nfs/dbraw/zinc/22/20/96/1013222096.db2.gz NHASPNKVBAXYLH-UHFFFAOYSA-N 1 2 365.359 2.849 20 30 FFEDLO N#CCCCCS(=O)(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000872572798 1013227424 /nfs/dbraw/zinc/22/74/24/1013227424.db2.gz SOFYMIWWCXHFGW-UHFFFAOYSA-N 1 2 372.494 2.701 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)cc1F)C2 ZINC001275993494 1013263819 /nfs/dbraw/zinc/26/38/19/1013263819.db2.gz KRBOXBQMZLYVBR-SFHVURJKSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)cc1F)C2 ZINC001275993494 1013263821 /nfs/dbraw/zinc/26/38/21/1013263821.db2.gz KRBOXBQMZLYVBR-SFHVURJKSA-N 1 2 352.837 2.716 20 30 FFEDLO COC(=O)c1cc(C#N)cc(C)c1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174982508 1013365553 /nfs/dbraw/zinc/36/55/53/1013365553.db2.gz ZSPARBDKFYDIJQ-UHFFFAOYSA-N 1 2 352.394 2.629 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccc(F)cc2o1 ZINC001110185991 1013460394 /nfs/dbraw/zinc/46/03/94/1013460394.db2.gz RSTRISAHHSGHPJ-YVVXQTMVSA-N 1 2 373.428 2.780 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccc(F)cc2o1 ZINC001110185991 1013460400 /nfs/dbraw/zinc/46/04/00/1013460400.db2.gz RSTRISAHHSGHPJ-YVVXQTMVSA-N 1 2 373.428 2.780 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001059093131 964040115 /nfs/dbraw/zinc/04/01/15/964040115.db2.gz XNZHFVYWRPAIHC-BBWFWOEESA-N 1 2 356.470 2.656 20 30 FFEDLO Cc1cc(N2CCN(c3ccc(C#N)cc3CO)CC2)nc(C(C)C)[nH+]1 ZINC000891609580 964578663 /nfs/dbraw/zinc/57/86/63/964578663.db2.gz CKJKAVIFNODCNF-UHFFFAOYSA-N 1 2 351.454 2.599 20 30 FFEDLO C[C@H]1C[N@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)[C@H]1c1ccccc1 ZINC000247414035 964779166 /nfs/dbraw/zinc/77/91/66/964779166.db2.gz JHVWGQWXRWEQSK-HRAATJIYSA-N 1 2 374.444 2.973 20 30 FFEDLO C[C@H]1C[N@@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)[C@H]1c1ccccc1 ZINC000247414035 964779173 /nfs/dbraw/zinc/77/91/73/964779173.db2.gz JHVWGQWXRWEQSK-HRAATJIYSA-N 1 2 374.444 2.973 20 30 FFEDLO COc1cccc([C@@H](C#N)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1OC ZINC000729429416 964975220 /nfs/dbraw/zinc/97/52/20/964975220.db2.gz LAKGBQONKAAOQF-QGZVFWFLSA-N 1 2 362.389 2.884 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H](C)c1noc(C)n1 ZINC001087175298 965095659 /nfs/dbraw/zinc/09/56/59/965095659.db2.gz GMYKUUCEHLXCMD-VYDXJSESSA-N 1 2 371.485 2.957 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2coc(C3CC3)n2)C1 ZINC001087468365 965215942 /nfs/dbraw/zinc/21/59/42/965215942.db2.gz VKTPMTYYRLGPAQ-QZTJIDSGSA-N 1 2 367.424 2.912 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2coc(C3CC3)n2)C1 ZINC001087468365 965215952 /nfs/dbraw/zinc/21/59/52/965215952.db2.gz VKTPMTYYRLGPAQ-QZTJIDSGSA-N 1 2 367.424 2.912 20 30 FFEDLO Cn1nc2c(c1C[NH+]1CCN(c3c(C#N)cnc4ccccc43)CC1)CCC2 ZINC000891855259 965232303 /nfs/dbraw/zinc/23/23/03/965232303.db2.gz UHHJIXRYBCNTQO-UHFFFAOYSA-N 1 2 372.476 2.651 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cc(C)co2)C1 ZINC001087475672 965608856 /nfs/dbraw/zinc/60/88/56/965608856.db2.gz WCQSEKZAXPMTGF-OALUTQOASA-N 1 2 352.434 2.818 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2cc(C)co2)C1 ZINC001087475672 965608861 /nfs/dbraw/zinc/60/88/61/965608861.db2.gz WCQSEKZAXPMTGF-OALUTQOASA-N 1 2 352.434 2.818 20 30 FFEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)c2ccoc2)C1 ZINC001087477343 965691513 /nfs/dbraw/zinc/69/15/13/965691513.db2.gz JYTMUNRGRBAGBW-WMZOPIPTSA-N 1 2 356.397 2.648 20 30 FFEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)c2ccoc2)C1 ZINC001087477343 965691520 /nfs/dbraw/zinc/69/15/20/965691520.db2.gz JYTMUNRGRBAGBW-WMZOPIPTSA-N 1 2 356.397 2.648 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCOC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087515471 967563974 /nfs/dbraw/zinc/56/39/74/967563974.db2.gz PFDIWNVTKBQEQH-NZSAHSFTSA-N 1 2 360.885 2.697 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCOC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087515471 967563981 /nfs/dbraw/zinc/56/39/81/967563981.db2.gz PFDIWNVTKBQEQH-NZSAHSFTSA-N 1 2 360.885 2.697 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2C)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001087525238 967659304 /nfs/dbraw/zinc/65/93/04/967659304.db2.gz MFSOLDOSPJWZNZ-ZWKOTPCHSA-N 1 2 351.454 2.681 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087525238 967659314 /nfs/dbraw/zinc/65/93/14/967659314.db2.gz MFSOLDOSPJWZNZ-ZWKOTPCHSA-N 1 2 351.454 2.681 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(F)cc1 ZINC001029344223 967774575 /nfs/dbraw/zinc/77/45/75/967774575.db2.gz KIIHEVXRBNNPTN-PBASOCQRSA-N 1 2 370.468 2.668 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001029344223 967774586 /nfs/dbraw/zinc/77/45/86/967774586.db2.gz KIIHEVXRBNNPTN-PBASOCQRSA-N 1 2 370.468 2.668 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001075807473 967849076 /nfs/dbraw/zinc/84/90/76/967849076.db2.gz DJSWTDSZFYLIML-AITUJVMLSA-N 1 2 371.481 2.566 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001075807473 967849087 /nfs/dbraw/zinc/84/90/87/967849087.db2.gz DJSWTDSZFYLIML-AITUJVMLSA-N 1 2 371.481 2.566 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001211609124 967913752 /nfs/dbraw/zinc/91/37/52/967913752.db2.gz JXRJLUWLZJFMBN-ZWKOTPCHSA-N 1 2 354.454 2.819 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CCC3(C1)CCOCC3)C2 ZINC000329692093 967948617 /nfs/dbraw/zinc/94/86/17/967948617.db2.gz DTBQAFRLDZCNSO-OAHLLOKOSA-N 1 2 360.502 2.912 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC001087545444 968019445 /nfs/dbraw/zinc/01/94/45/968019445.db2.gz KAYFUHJGKIXURG-GOEBONIOSA-N 1 2 353.426 2.535 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1ncc(C2CC2)o1 ZINC001087545444 968019455 /nfs/dbraw/zinc/01/94/55/968019455.db2.gz KAYFUHJGKIXURG-GOEBONIOSA-N 1 2 353.426 2.535 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)[C@H]1CC ZINC001087665789 968545936 /nfs/dbraw/zinc/54/59/36/968545936.db2.gz IUOIZCDQLUULCD-QXSJWSMHSA-N 1 2 371.319 2.679 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)[C@H]1CC ZINC001087665789 968545942 /nfs/dbraw/zinc/54/59/42/968545942.db2.gz IUOIZCDQLUULCD-QXSJWSMHSA-N 1 2 371.319 2.679 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c(C)cnn2C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087691854 968608669 /nfs/dbraw/zinc/60/86/69/968608669.db2.gz VIMFBPITUNHKDW-ZWKOTPCHSA-N 1 2 369.444 2.522 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c(C)cnn2C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087691854 968608675 /nfs/dbraw/zinc/60/86/75/968608675.db2.gz VIMFBPITUNHKDW-ZWKOTPCHSA-N 1 2 369.444 2.522 20 30 FFEDLO C=CCCC1(CNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCCC1 ZINC000658532040 968790290 /nfs/dbraw/zinc/79/02/90/968790290.db2.gz PPVYDFIDZAWZIF-KRWDZBQOSA-N 1 2 358.486 2.689 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2csc(CC)n2)[C@@H]1CC ZINC001087732474 968791811 /nfs/dbraw/zinc/79/18/11/968791811.db2.gz XFOZFQBREZXLFZ-TWMKSMIVSA-N 1 2 363.527 2.766 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2csc(CC)n2)[C@@H]1CC ZINC001087732474 968791817 /nfs/dbraw/zinc/79/18/17/968791817.db2.gz XFOZFQBREZXLFZ-TWMKSMIVSA-N 1 2 363.527 2.766 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CCCOC2)[C@H]1CC ZINC001087776897 969004553 /nfs/dbraw/zinc/00/45/53/969004553.db2.gz DBIZZEUGCQXQCO-LZWOXQAQSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CCCOC2)[C@H]1CC ZINC001087776897 969004562 /nfs/dbraw/zinc/00/45/62/969004562.db2.gz DBIZZEUGCQXQCO-LZWOXQAQSA-N 1 2 359.308 2.681 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C4CC4)o3)[C@@H]2CC)cn1 ZINC001087802408 970301593 /nfs/dbraw/zinc/30/15/93/970301593.db2.gz OVWFNCQHGLOVJK-ZWKOTPCHSA-N 1 2 364.449 2.711 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)[C@@H]2CC)cn1 ZINC001087802408 970301597 /nfs/dbraw/zinc/30/15/97/970301597.db2.gz OVWFNCQHGLOVJK-ZWKOTPCHSA-N 1 2 364.449 2.711 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cc2c(C)noc2C)[C@H]1CC ZINC001087824913 970427586 /nfs/dbraw/zinc/42/75/86/970427586.db2.gz CUBMTUBMEAJHOR-LSDHHAIUSA-N 1 2 370.291 2.712 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cc2c(C)noc2C)[C@H]1CC ZINC001087824913 970427592 /nfs/dbraw/zinc/42/75/92/970427592.db2.gz CUBMTUBMEAJHOR-LSDHHAIUSA-N 1 2 370.291 2.712 20 30 FFEDLO C[C@H](CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21)C1CC1 ZINC001083286229 970430056 /nfs/dbraw/zinc/43/00/56/970430056.db2.gz YKVBOVJHKDQHEU-VOBQZIQPSA-N 1 2 371.456 2.545 20 30 FFEDLO C[C@H](CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21)C1CC1 ZINC001083286229 970430059 /nfs/dbraw/zinc/43/00/59/970430059.db2.gz YKVBOVJHKDQHEU-VOBQZIQPSA-N 1 2 371.456 2.545 20 30 FFEDLO Cc1noc(C)c1C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001075536090 970471375 /nfs/dbraw/zinc/47/13/75/970471375.db2.gz NMZGBUWXEMEGKM-ZWKOTPCHSA-N 1 2 350.422 2.510 20 30 FFEDLO Cc1noc(C)c1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001075536090 970471377 /nfs/dbraw/zinc/47/13/77/970471377.db2.gz NMZGBUWXEMEGKM-ZWKOTPCHSA-N 1 2 350.422 2.510 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)N(Cc2ccc(C)cc2)C2CC2)cc1 ZINC000177480929 970577009 /nfs/dbraw/zinc/57/70/09/970577009.db2.gz QAEYWNYZYZMXHI-UHFFFAOYSA-N 1 2 367.449 2.832 20 30 FFEDLO Cn1cnnc1C1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC001141815038 970695738 /nfs/dbraw/zinc/69/57/38/970695738.db2.gz ZBLCIVZCWWRZPV-UHFFFAOYSA-N 1 2 360.259 2.829 20 30 FFEDLO C=C(C)[C@@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)c(F)c1 ZINC000661036826 973434114 /nfs/dbraw/zinc/43/41/14/973434114.db2.gz NBIBHJOCBSTSME-MAUKXSAKSA-N 1 2 365.424 2.698 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccccc1F)[C@H](C)COC ZINC000661241623 973973461 /nfs/dbraw/zinc/97/34/61/973973461.db2.gz CVTKCEGEYHUQIY-OAHLLOKOSA-N 1 2 360.433 2.781 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccccc1F)[C@H](C)COC ZINC000661241623 973973471 /nfs/dbraw/zinc/97/34/71/973973471.db2.gz CVTKCEGEYHUQIY-OAHLLOKOSA-N 1 2 360.433 2.781 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2CC)C1 ZINC000985427427 974058899 /nfs/dbraw/zinc/05/88/99/974058899.db2.gz JCLABYMLJXBQKR-YQQAZPJKSA-N 1 2 370.497 2.682 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001027612890 975026747 /nfs/dbraw/zinc/02/67/47/975026747.db2.gz QJMMFSHSIWBVCN-AOIWGVFYSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001027612890 975026753 /nfs/dbraw/zinc/02/67/53/975026753.db2.gz QJMMFSHSIWBVCN-AOIWGVFYSA-N 1 2 361.486 2.695 20 30 FFEDLO COc1cc(N2CC[NH+](Cc3csc(C#N)c3)CC2)cc(OC)c1OC ZINC000893577485 975561187 /nfs/dbraw/zinc/56/11/87/975561187.db2.gz FVNKJFFDEUNVOP-UHFFFAOYSA-N 1 2 373.478 2.968 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](CN3C(=O)CC4(CCCC4)C3=O)CC2)cc1 ZINC000728903519 977033603 /nfs/dbraw/zinc/03/36/03/977033603.db2.gz QWIGFYXCRFDQHO-UHFFFAOYSA-N 1 2 367.449 2.678 20 30 FFEDLO C=CCC1(O)CCN(C(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)CC1 ZINC000899590475 977246752 /nfs/dbraw/zinc/24/67/52/977246752.db2.gz FJSXUKMNZBHHFO-UHFFFAOYSA-N 1 2 366.465 2.940 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001268251616 977291196 /nfs/dbraw/zinc/29/11/96/977291196.db2.gz OQCBFTHZQRPGFJ-MOPGFXCFSA-N 1 2 369.465 2.823 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001268251616 977291203 /nfs/dbraw/zinc/29/12/03/977291203.db2.gz OQCBFTHZQRPGFJ-MOPGFXCFSA-N 1 2 369.465 2.823 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(Br)c[nH]3)[C@@H]2C1 ZINC001076007791 977347771 /nfs/dbraw/zinc/34/77/71/977347771.db2.gz OZMODTGAKVJPFT-GXFFZTMASA-N 1 2 358.667 2.676 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(Br)c[nH]3)[C@@H]2C1 ZINC001076007791 977347779 /nfs/dbraw/zinc/34/77/79/977347779.db2.gz OZMODTGAKVJPFT-GXFFZTMASA-N 1 2 358.667 2.676 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc2c(F)cccc2c1 ZINC000876807342 1014399378 /nfs/dbraw/zinc/39/93/78/1014399378.db2.gz BPRFUGNVMPPFKR-AWEZNQCLSA-N 1 2 362.412 2.746 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc2c(F)cccc2c1 ZINC000876807342 1014399391 /nfs/dbraw/zinc/39/93/91/1014399391.db2.gz BPRFUGNVMPPFKR-AWEZNQCLSA-N 1 2 362.412 2.746 20 30 FFEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCO[C@@](C)(C#N)C2)c(C)c1 ZINC000893788453 977554092 /nfs/dbraw/zinc/55/40/92/977554092.db2.gz MTGNMSKZARTBLB-ICSRJNTNSA-N 1 2 367.453 2.565 20 30 FFEDLO CCc1nocc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2OC)[C@@H]1C ZINC001088842195 977881389 /nfs/dbraw/zinc/88/13/89/977881389.db2.gz RZJFHACDRULARE-ACJLOTCBSA-N 1 2 368.437 2.510 20 30 FFEDLO CCc1nocc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2OC)[C@@H]1C ZINC001088842195 977881397 /nfs/dbraw/zinc/88/13/97/977881397.db2.gz RZJFHACDRULARE-ACJLOTCBSA-N 1 2 368.437 2.510 20 30 FFEDLO Cc1nc(C)c(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)o1 ZINC001075643519 977894192 /nfs/dbraw/zinc/89/41/92/977894192.db2.gz AUISMPSPNOLJDY-ZWKOTPCHSA-N 1 2 350.422 2.510 20 30 FFEDLO Cc1nc(C)c(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)o1 ZINC001075643519 977894200 /nfs/dbraw/zinc/89/42/00/977894200.db2.gz AUISMPSPNOLJDY-ZWKOTPCHSA-N 1 2 350.422 2.510 20 30 FFEDLO Cc1c(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@@H]2C)ccn1C ZINC001088842445 977943117 /nfs/dbraw/zinc/94/31/17/977943117.db2.gz HNERLWCXZMDLGX-KUHUBIRLSA-N 1 2 354.429 2.737 20 30 FFEDLO Cc1c(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@@H]2C)ccn1C ZINC001088842445 977943127 /nfs/dbraw/zinc/94/31/27/977943127.db2.gz HNERLWCXZMDLGX-KUHUBIRLSA-N 1 2 354.429 2.737 20 30 FFEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)NCCC#N)cc1 ZINC000426413678 977967802 /nfs/dbraw/zinc/96/78/02/977967802.db2.gz ULRUZYQNVWYYNK-UHFFFAOYSA-N 1 2 355.442 2.797 20 30 FFEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000729267141 978224346 /nfs/dbraw/zinc/22/43/46/978224346.db2.gz KONDGWPOASUSRA-UHFFFAOYSA-N 1 2 371.387 2.825 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ccoc3)[C@@H]2C1 ZINC001075671403 978229625 /nfs/dbraw/zinc/22/96/25/978229625.db2.gz HWAUDZRQSKHNRU-FXAWDEMLSA-N 1 2 367.424 2.956 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)CCc3ccoc3)[C@@H]2C1 ZINC001075671403 978229633 /nfs/dbraw/zinc/22/96/33/978229633.db2.gz HWAUDZRQSKHNRU-FXAWDEMLSA-N 1 2 367.424 2.956 20 30 FFEDLO CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccns2)C1 ZINC001087465355 978325511 /nfs/dbraw/zinc/32/55/11/978325511.db2.gz KEQDJORUOGNGRP-IAGOWNOFSA-N 1 2 357.454 2.893 20 30 FFEDLO CC#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccns2)C1 ZINC001087465355 978325521 /nfs/dbraw/zinc/32/55/21/978325521.db2.gz KEQDJORUOGNGRP-IAGOWNOFSA-N 1 2 357.454 2.893 20 30 FFEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001268739573 978382899 /nfs/dbraw/zinc/38/28/99/978382899.db2.gz NZACGSTYWQWCAS-JQHSSLGASA-N 1 2 350.890 2.966 20 30 FFEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001268739573 978382907 /nfs/dbraw/zinc/38/29/07/978382907.db2.gz NZACGSTYWQWCAS-JQHSSLGASA-N 1 2 350.890 2.966 20 30 FFEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000121636775 979109251 /nfs/dbraw/zinc/10/92/51/979109251.db2.gz FLHAGVMCLKGFTK-IBGZPJMESA-N 1 2 351.406 2.666 20 30 FFEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000121636775 979109255 /nfs/dbraw/zinc/10/92/55/979109255.db2.gz FLHAGVMCLKGFTK-IBGZPJMESA-N 1 2 351.406 2.666 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)C3CCC(F)CC3)[C@@H]2C1 ZINC001076209965 979227771 /nfs/dbraw/zinc/22/77/71/979227771.db2.gz QDHOECPOTBZZPG-OOJKYFRXSA-N 1 2 359.283 2.956 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CCC(F)CC3)[C@@H]2C1 ZINC001076209965 979227779 /nfs/dbraw/zinc/22/77/79/979227779.db2.gz QDHOECPOTBZZPG-OOJKYFRXSA-N 1 2 359.283 2.956 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)c3ocnc3C3CC3)[C@@H]2C1 ZINC001076239151 979254781 /nfs/dbraw/zinc/25/47/81/979254781.db2.gz SAUPJTPKQWKYJW-ZWKOTPCHSA-N 1 2 362.433 2.770 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3ocnc3C3CC3)[C@@H]2C1 ZINC001076239151 979254785 /nfs/dbraw/zinc/25/47/85/979254785.db2.gz SAUPJTPKQWKYJW-ZWKOTPCHSA-N 1 2 362.433 2.770 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccncc3Cl)[C@@H]2C1 ZINC001076282602 979318918 /nfs/dbraw/zinc/31/89/18/979318918.db2.gz LVTCAAVVZOEKES-SMDDNHRTSA-N 1 2 370.678 2.790 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccncc3Cl)[C@@H]2C1 ZINC001076282602 979318927 /nfs/dbraw/zinc/31/89/27/979318927.db2.gz LVTCAAVVZOEKES-SMDDNHRTSA-N 1 2 370.678 2.790 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(COC)c(F)c3)[C@@H]2C1 ZINC001076503304 979595126 /nfs/dbraw/zinc/59/51/26/979595126.db2.gz CCUWGCYMFRYOKL-WMLDXEAASA-N 1 2 352.837 2.871 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(COC)c(F)c3)[C@@H]2C1 ZINC001076503304 979595136 /nfs/dbraw/zinc/59/51/36/979595136.db2.gz CCUWGCYMFRYOKL-WMLDXEAASA-N 1 2 352.837 2.871 20 30 FFEDLO Cc1nc(C)c(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)s1 ZINC001076547902 979647642 /nfs/dbraw/zinc/64/76/42/979647642.db2.gz RWQYXRHGGQANRV-ZWKOTPCHSA-N 1 2 366.490 2.978 20 30 FFEDLO Cc1nc(C)c(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)s1 ZINC001076547902 979647646 /nfs/dbraw/zinc/64/76/46/979647646.db2.gz RWQYXRHGGQANRV-ZWKOTPCHSA-N 1 2 366.490 2.978 20 30 FFEDLO Cc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)n1 ZINC001088472199 979762794 /nfs/dbraw/zinc/76/27/94/979762794.db2.gz ZSHOCHBOHCXWCB-KDOFPFPSSA-N 1 2 352.413 2.794 20 30 FFEDLO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)n1 ZINC001088472199 979762800 /nfs/dbraw/zinc/76/28/00/979762800.db2.gz ZSHOCHBOHCXWCB-KDOFPFPSSA-N 1 2 352.413 2.794 20 30 FFEDLO Cc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)s1 ZINC001088488808 979876983 /nfs/dbraw/zinc/87/69/83/979876983.db2.gz UFIPCZDILBJLLS-BZNIZROVSA-N 1 2 358.442 2.855 20 30 FFEDLO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)s1 ZINC001088488808 979876987 /nfs/dbraw/zinc/87/69/87/979876987.db2.gz UFIPCZDILBJLLS-BZNIZROVSA-N 1 2 358.442 2.855 20 30 FFEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000668182879 979880244 /nfs/dbraw/zinc/88/02/44/979880244.db2.gz QPIMYOXGFWRSPS-DNVCBOLYSA-N 1 2 361.461 2.502 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C(C)C)n3)C[C@H]21 ZINC001075885210 980476601 /nfs/dbraw/zinc/47/66/01/980476601.db2.gz KWUIDTPGGJTHQO-FXAWDEMLSA-N 1 2 367.497 2.798 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C(C)C)n3)C[C@H]21 ZINC001075885210 980476604 /nfs/dbraw/zinc/47/66/04/980476604.db2.gz KWUIDTPGGJTHQO-FXAWDEMLSA-N 1 2 367.497 2.798 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNCc3cc(C#N)cnc3Cl)C2)c1 ZINC000877733548 1014701964 /nfs/dbraw/zinc/70/19/64/1014701964.db2.gz VQVDUOJGDQDPLO-IBGZPJMESA-N 1 2 370.884 2.906 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNCc3cc(C#N)cnc3Cl)C2)c1 ZINC000877733548 1014701974 /nfs/dbraw/zinc/70/19/74/1014701974.db2.gz VQVDUOJGDQDPLO-IBGZPJMESA-N 1 2 370.884 2.906 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1OC ZINC001211992781 981410836 /nfs/dbraw/zinc/41/08/36/981410836.db2.gz XAGWIGGJCYUEAK-ZTFGCOKTSA-N 1 2 366.889 2.637 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1OC ZINC001211992781 981410838 /nfs/dbraw/zinc/41/08/38/981410838.db2.gz XAGWIGGJCYUEAK-ZTFGCOKTSA-N 1 2 366.889 2.637 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OC)C[C@H]1OC ZINC001212024190 981460224 /nfs/dbraw/zinc/46/02/24/981460224.db2.gz MIIYONZFGLUAFX-NVXWUHKLSA-N 1 2 352.862 2.630 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OC)C[C@H]1OC ZINC001212024190 981460228 /nfs/dbraw/zinc/46/02/28/981460228.db2.gz MIIYONZFGLUAFX-NVXWUHKLSA-N 1 2 352.862 2.630 20 30 FFEDLO Cc1noc(C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)c1C ZINC001075925467 981679859 /nfs/dbraw/zinc/67/98/59/981679859.db2.gz NQNBEVZRBXOWMX-PKOBYXMFSA-N 1 2 367.424 2.629 20 30 FFEDLO Cc1noc(C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)c1C ZINC001075925467 981679866 /nfs/dbraw/zinc/67/98/66/981679866.db2.gz NQNBEVZRBXOWMX-PKOBYXMFSA-N 1 2 367.424 2.629 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001105586197 982434072 /nfs/dbraw/zinc/43/40/72/982434072.db2.gz OFVAGSKQLVQDLU-WMZOPIPTSA-N 1 2 360.502 2.784 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000945040231 984009967 /nfs/dbraw/zinc/00/99/67/984009967.db2.gz AUBXDYNHCUCTTM-QINHECLXSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000945040231 984009976 /nfs/dbraw/zinc/00/99/76/984009976.db2.gz AUBXDYNHCUCTTM-QINHECLXSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000668959506 984028098 /nfs/dbraw/zinc/02/80/98/984028098.db2.gz MARGRVKYDFRHTG-AEFFLSMTSA-N 1 2 368.481 2.553 20 30 FFEDLO C#CCN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C1CCCC1 ZINC000164030766 984318214 /nfs/dbraw/zinc/31/82/14/984318214.db2.gz QLABMTIEZBJYIQ-UHFFFAOYSA-N 1 2 364.449 2.930 20 30 FFEDLO C#CCCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncnn1CCC)CC2 ZINC001107372139 984483108 /nfs/dbraw/zinc/48/31/08/984483108.db2.gz QMOMTGJMFKDXCO-WIYYLYMNSA-N 1 2 371.529 2.743 20 30 FFEDLO C#CCCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncnn1CCC)CC2 ZINC001107372139 984483114 /nfs/dbraw/zinc/48/31/14/984483114.db2.gz QMOMTGJMFKDXCO-WIYYLYMNSA-N 1 2 371.529 2.743 20 30 FFEDLO C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nn(C)cc1Cl)CC2 ZINC001107384221 984494895 /nfs/dbraw/zinc/49/48/95/984494895.db2.gz UOIOROZOLSPSPQ-IEBWSBKVSA-N 1 2 362.905 2.738 20 30 FFEDLO C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nn(C)cc1Cl)CC2 ZINC001107384221 984494900 /nfs/dbraw/zinc/49/49/00/984494900.db2.gz UOIOROZOLSPSPQ-IEBWSBKVSA-N 1 2 362.905 2.738 20 30 FFEDLO CC(=O)[C@](C#N)(CC[NH+]1CCN(c2cccc(C#N)n2)CC1)c1ccccc1 ZINC000878433655 1015042792 /nfs/dbraw/zinc/04/27/92/1015042792.db2.gz JNDOMQWZGOJKDR-JOCHJYFZSA-N 1 2 373.460 2.516 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1OC ZINC001212184757 984971767 /nfs/dbraw/zinc/97/17/67/984971767.db2.gz GUCCHFMASZIRRA-IAGOWNOFSA-N 1 2 368.399 2.824 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1OC ZINC001212184757 984971774 /nfs/dbraw/zinc/97/17/74/984971774.db2.gz GUCCHFMASZIRRA-IAGOWNOFSA-N 1 2 368.399 2.824 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2csc(C3CC3)n2)[C@@H]1C ZINC001088867985 985166459 /nfs/dbraw/zinc/16/64/59/985166459.db2.gz DNVUPANOOKXDJD-VZEFYGNVSA-N 1 2 361.511 2.691 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2csc(C3CC3)n2)[C@@H]1C ZINC001088867985 985166463 /nfs/dbraw/zinc/16/64/63/985166463.db2.gz DNVUPANOOKXDJD-VZEFYGNVSA-N 1 2 361.511 2.691 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C)c(F)c1 ZINC001032410887 985253173 /nfs/dbraw/zinc/25/31/73/985253173.db2.gz BBIARKRRIPFHTC-GNBUJSLZSA-N 1 2 358.457 2.900 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C)c(F)c1 ZINC001032410887 985253184 /nfs/dbraw/zinc/25/31/84/985253184.db2.gz BBIARKRRIPFHTC-GNBUJSLZSA-N 1 2 358.457 2.900 20 30 FFEDLO C[C@H](C[NH+]1CCN(c2cccc(F)c2C#N)CC1)NC(=O)OC(C)(C)C ZINC000785437316 985337388 /nfs/dbraw/zinc/33/73/88/985337388.db2.gz FAGVKGHTMBNVQC-CQSZACIVSA-N 1 2 362.449 2.733 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)o1 ZINC001088938073 985536487 /nfs/dbraw/zinc/53/64/87/985536487.db2.gz VAERAVXKIPDQRS-PBHICJAKSA-N 1 2 356.397 2.672 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)o1 ZINC001088938073 985536492 /nfs/dbraw/zinc/53/64/92/985536492.db2.gz VAERAVXKIPDQRS-PBHICJAKSA-N 1 2 356.397 2.672 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1(CC(C)C)CC1 ZINC001212390885 985983387 /nfs/dbraw/zinc/98/33/87/985983387.db2.gz HNDGXBBKGCYEMI-WOJBJXKFSA-N 1 2 354.494 2.680 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1(CC(C)C)CC1 ZINC001212390885 985983399 /nfs/dbraw/zinc/98/33/99/985983399.db2.gz HNDGXBBKGCYEMI-WOJBJXKFSA-N 1 2 354.494 2.680 20 30 FFEDLO C#CCOc1ccc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC000152278795 987115897 /nfs/dbraw/zinc/11/58/97/987115897.db2.gz ICXCPCCAWAUNST-UHFFFAOYSA-N 1 2 363.461 2.698 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001007528560 1015289289 /nfs/dbraw/zinc/28/92/89/1015289289.db2.gz FEUQKJXITCOICE-RLLQIKCJSA-N 1 2 358.457 2.573 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001007528560 1015289297 /nfs/dbraw/zinc/28/92/97/1015289297.db2.gz FEUQKJXITCOICE-RLLQIKCJSA-N 1 2 358.457 2.573 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001007529544 1015291400 /nfs/dbraw/zinc/29/14/00/1015291400.db2.gz LFMMUWDYSVMOHB-SUMDDJOVSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001007529544 1015291407 /nfs/dbraw/zinc/29/14/07/1015291407.db2.gz LFMMUWDYSVMOHB-SUMDDJOVSA-N 1 2 359.445 2.593 20 30 FFEDLO N#Cc1ccc(F)cc1C[NH2+][C@@H]1CN(C(=O)CC2CC2)C[C@H]1C(F)(F)F ZINC001099200368 987680732 /nfs/dbraw/zinc/68/07/32/987680732.db2.gz PDHFTTPYXIGRBA-HZPDHXFCSA-N 1 2 369.362 2.976 20 30 FFEDLO C[C@@H](CCNc1snc(Cl)c1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001106625485 988529089 /nfs/dbraw/zinc/52/90/89/988529089.db2.gz KXJDKUGOOVWONI-IVZWLZJFSA-N 1 2 364.862 2.502 20 30 FFEDLO C[C@@H](CCNc1snc(Cl)c1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001106625485 988529099 /nfs/dbraw/zinc/52/90/99/988529099.db2.gz KXJDKUGOOVWONI-IVZWLZJFSA-N 1 2 364.862 2.502 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1Cc2cccnc2N2C[C@H](OC)C[C@@H]2C1 ZINC000879269173 1015448784 /nfs/dbraw/zinc/44/87/84/1015448784.db2.gz JMRGIXRPCKGBJW-RTBURBONSA-N 1 2 364.449 2.571 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1Cc2cccnc2N2C[C@H](OC)C[C@@H]2C1 ZINC000879269173 1015448788 /nfs/dbraw/zinc/44/87/88/1015448788.db2.gz JMRGIXRPCKGBJW-RTBURBONSA-N 1 2 364.449 2.571 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000132812371 989325662 /nfs/dbraw/zinc/32/56/62/989325662.db2.gz DTRXHWCWOFINDR-VQTJNVASSA-N 1 2 357.404 2.881 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)nc1 ZINC000766036891 989327176 /nfs/dbraw/zinc/32/71/76/989327176.db2.gz GKTXNAGTKDPKTR-OALUTQOASA-N 1 2 369.852 2.518 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)nc1 ZINC000766036891 989327183 /nfs/dbraw/zinc/32/71/83/989327183.db2.gz GKTXNAGTKDPKTR-OALUTQOASA-N 1 2 369.852 2.518 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ncc(CC)o2)CC1 ZINC001005405262 989759900 /nfs/dbraw/zinc/75/99/00/989759900.db2.gz BNUUCGJLSRCYON-MSOLQXFVSA-N 1 2 361.486 2.641 20 30 FFEDLO C[C@@H](Nc1ccc(C#N)nc1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001061889630 990513705 /nfs/dbraw/zinc/51/37/05/990513705.db2.gz JTQJGDYZGMZYCZ-FSPWUOQZSA-N 1 2 364.453 2.519 20 30 FFEDLO C[C@@H](Nc1ccc(C#N)nc1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001061889630 990513712 /nfs/dbraw/zinc/51/37/12/990513712.db2.gz JTQJGDYZGMZYCZ-FSPWUOQZSA-N 1 2 364.453 2.519 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2nc3ccccc3o2)C1 ZINC001031679780 990942396 /nfs/dbraw/zinc/94/23/96/990942396.db2.gz IYYYEDQCXOYAJZ-KYJSFNMBSA-N 1 2 369.465 2.918 20 30 FFEDLO CC(C)C[N@@H+]1CCO[C@H](CNC=C2C(=O)CC3(CCCCC3)CC2=O)C1 ZINC000920979697 990948031 /nfs/dbraw/zinc/94/80/31/990948031.db2.gz UWXQWAUFGRCHNP-QGZVFWFLSA-N 1 2 362.514 2.699 20 30 FFEDLO CC(C)C[N@H+]1CCO[C@H](CNC=C2C(=O)CC3(CCCCC3)CC2=O)C1 ZINC000920979697 990948038 /nfs/dbraw/zinc/94/80/38/990948038.db2.gz UWXQWAUFGRCHNP-QGZVFWFLSA-N 1 2 362.514 2.699 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)N(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001089749268 991511141 /nfs/dbraw/zinc/51/11/41/991511141.db2.gz VRHSWWPJQCHMGM-OIISXLGYSA-N 1 2 358.486 2.585 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001212320945 991670493 /nfs/dbraw/zinc/67/04/93/991670493.db2.gz KRBYMVBIHFJKBE-WOJBJXKFSA-N 1 2 371.456 2.781 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001212320945 991670498 /nfs/dbraw/zinc/67/04/98/991670498.db2.gz KRBYMVBIHFJKBE-WOJBJXKFSA-N 1 2 371.456 2.781 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001065109042 991762263 /nfs/dbraw/zinc/76/22/63/991762263.db2.gz QLOIVLCNSMECJD-SJORKVTESA-N 1 2 370.497 2.729 20 30 FFEDLO NC(=NOCc1cc(F)ccc1F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181841043 991891174 /nfs/dbraw/zinc/89/11/74/991891174.db2.gz ZMVXPYKPSVCXHN-GOSISDBHSA-N 1 2 361.392 2.655 20 30 FFEDLO NC(=NOCc1cc(F)ccc1F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181841043 991891185 /nfs/dbraw/zinc/89/11/85/991891185.db2.gz ZMVXPYKPSVCXHN-GOSISDBHSA-N 1 2 361.392 2.655 20 30 FFEDLO Cc1ncsc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001079450882 992100791 /nfs/dbraw/zinc/10/07/91/992100791.db2.gz UKYYRLDFCRFRKT-BDJLRTHQSA-N 1 2 358.442 2.713 20 30 FFEDLO Cc1ncsc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001079450882 992100793 /nfs/dbraw/zinc/10/07/93/992100793.db2.gz UKYYRLDFCRFRKT-BDJLRTHQSA-N 1 2 358.442 2.713 20 30 FFEDLO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)s1 ZINC001079477789 992139784 /nfs/dbraw/zinc/13/97/84/992139784.db2.gz TXFLPPJLJWBFBH-BDJLRTHQSA-N 1 2 358.442 2.713 20 30 FFEDLO Cc1ncc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)s1 ZINC001079477789 992139789 /nfs/dbraw/zinc/13/97/89/992139789.db2.gz TXFLPPJLJWBFBH-BDJLRTHQSA-N 1 2 358.442 2.713 20 30 FFEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3c3ccco3)C2)ccc1F ZINC001031993897 992545934 /nfs/dbraw/zinc/54/59/34/992545934.db2.gz CTUXWCBSFCDZEN-IAGOWNOFSA-N 1 2 353.397 2.642 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3nnc(C)o3)C[C@H]2C)cc1 ZINC001079977913 992639538 /nfs/dbraw/zinc/63/95/38/992639538.db2.gz PXBAKDHOULIUBB-QWQRMKEZSA-N 1 2 370.453 2.754 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3nnc(C)o3)C[C@H]2C)cc1 ZINC001079977913 992639543 /nfs/dbraw/zinc/63/95/43/992639543.db2.gz PXBAKDHOULIUBB-QWQRMKEZSA-N 1 2 370.453 2.754 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001089863970 992646205 /nfs/dbraw/zinc/64/62/05/992646205.db2.gz MCDVLLOIIQWYIN-MOPGFXCFSA-N 1 2 370.497 2.636 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1conc1C1CC1 ZINC001080421106 993020046 /nfs/dbraw/zinc/02/00/46/993020046.db2.gz SXKLFZHXXQDUKN-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1conc1C1CC1 ZINC001080421106 993020052 /nfs/dbraw/zinc/02/00/52/993020052.db2.gz SXKLFZHXXQDUKN-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)nc2C2CCCC2)C1 ZINC001080412155 993039736 /nfs/dbraw/zinc/03/97/36/993039736.db2.gz GMDQPUNHQJZEJU-MLGOLLRUSA-N 1 2 350.894 2.880 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)nc2C2CCCC2)C1 ZINC001080412155 993039739 /nfs/dbraw/zinc/03/97/39/993039739.db2.gz GMDQPUNHQJZEJU-MLGOLLRUSA-N 1 2 350.894 2.880 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1conc1C1CC1 ZINC001080420725 993047358 /nfs/dbraw/zinc/04/73/58/993047358.db2.gz AVOSONYYPIQIGD-FZKQIMNGSA-N 1 2 350.422 2.674 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1conc1C1CC1 ZINC001080420725 993047361 /nfs/dbraw/zinc/04/73/61/993047361.db2.gz AVOSONYYPIQIGD-FZKQIMNGSA-N 1 2 350.422 2.674 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2C(F)(F)F)C1 ZINC001080440151 993057395 /nfs/dbraw/zinc/05/73/95/993057395.db2.gz HXFBXIGRQRYRBB-GMSGAONNSA-N 1 2 350.772 2.540 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2C(F)(F)F)C1 ZINC001080440151 993057401 /nfs/dbraw/zinc/05/74/01/993057401.db2.gz HXFBXIGRQRYRBB-GMSGAONNSA-N 1 2 350.772 2.540 20 30 FFEDLO CCc1oncc1C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC001080537783 993129788 /nfs/dbraw/zinc/12/97/88/993129788.db2.gz KTYUVNAKBLNBOL-RDTXWAMCSA-N 1 2 371.868 2.992 20 30 FFEDLO CCc1oncc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC001080537783 993129794 /nfs/dbraw/zinc/12/97/94/993129794.db2.gz KTYUVNAKBLNBOL-RDTXWAMCSA-N 1 2 371.868 2.992 20 30 FFEDLO CCc1oncc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC001080539539 993130799 /nfs/dbraw/zinc/13/07/99/993130799.db2.gz LDWNCQSTHASXLF-RDTXWAMCSA-N 1 2 371.868 2.992 20 30 FFEDLO CCc1oncc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC001080539539 993130802 /nfs/dbraw/zinc/13/08/02/993130802.db2.gz LDWNCQSTHASXLF-RDTXWAMCSA-N 1 2 371.868 2.992 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cc(C2CC2)no1 ZINC001080535427 993147126 /nfs/dbraw/zinc/14/71/26/993147126.db2.gz LDORGPQUQOQVJM-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cc(C2CC2)no1 ZINC001080535427 993147132 /nfs/dbraw/zinc/14/71/32/993147132.db2.gz LDORGPQUQOQVJM-KZULUSFZSA-N 1 2 368.412 2.813 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)c(C)c2)C1 ZINC001080621127 993214132 /nfs/dbraw/zinc/21/41/32/993214132.db2.gz PTEXXISZPYKBKM-IUODEOHRSA-N 1 2 367.287 2.962 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)c(C)c2)C1 ZINC001080621127 993214138 /nfs/dbraw/zinc/21/41/38/993214138.db2.gz PTEXXISZPYKBKM-IUODEOHRSA-N 1 2 367.287 2.962 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]nc2-c2ccsc2)C1 ZINC001080683555 993273552 /nfs/dbraw/zinc/27/35/52/993273552.db2.gz YFKBNXYRJMFKGY-QMTHXVAHSA-N 1 2 350.875 2.941 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]nc2-c2ccsc2)C1 ZINC001080683555 993273558 /nfs/dbraw/zinc/27/35/58/993273558.db2.gz YFKBNXYRJMFKGY-QMTHXVAHSA-N 1 2 350.875 2.941 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CC(=C)Br)C[C@H]1C ZINC001080851518 993414237 /nfs/dbraw/zinc/41/42/37/993414237.db2.gz NTUWZEUGZXPBGE-CXAGYDPISA-N 1 2 361.283 2.556 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](CC(=C)Br)C[C@H]1C ZINC001080851518 993414240 /nfs/dbraw/zinc/41/42/40/993414240.db2.gz NTUWZEUGZXPBGE-CXAGYDPISA-N 1 2 361.283 2.556 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)s2)C[C@H]1C ZINC001080851586 993414421 /nfs/dbraw/zinc/41/44/21/993414421.db2.gz QVGQKDZDXKJHGK-RDTXWAMCSA-N 1 2 353.491 2.612 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2ncc(C)s2)C[C@H]1C ZINC001080851586 993414424 /nfs/dbraw/zinc/41/44/24/993414424.db2.gz QVGQKDZDXKJHGK-RDTXWAMCSA-N 1 2 353.491 2.612 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001080851657 993414683 /nfs/dbraw/zinc/41/46/83/993414683.db2.gz UBDIPVFVIXRJAN-DNVCBOLYSA-N 1 2 363.461 2.713 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001080851657 993414686 /nfs/dbraw/zinc/41/46/86/993414686.db2.gz UBDIPVFVIXRJAN-DNVCBOLYSA-N 1 2 363.461 2.713 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)CC1CCCC1 ZINC001081306638 993794090 /nfs/dbraw/zinc/79/40/90/993794090.db2.gz XJKKHPAVQRECBA-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)CC1CCCC1 ZINC001081306638 993794095 /nfs/dbraw/zinc/79/40/95/993794095.db2.gz XJKKHPAVQRECBA-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1CCCCCC1 ZINC001081433013 993833512 /nfs/dbraw/zinc/83/35/12/993833512.db2.gz RSPBTALDLNKUMH-NHCUHLMSSA-N 1 2 354.494 2.824 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1CCCCCC1 ZINC001081433013 993833519 /nfs/dbraw/zinc/83/35/19/993833519.db2.gz RSPBTALDLNKUMH-NHCUHLMSSA-N 1 2 354.494 2.824 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@]1(C)CC=CCC1 ZINC001081731427 993942439 /nfs/dbraw/zinc/94/24/39/993942439.db2.gz ZSGVVUKEVFGAJJ-SBHAEUEKSA-N 1 2 353.466 2.620 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@]1(C)CC=CCC1 ZINC001081731427 993942448 /nfs/dbraw/zinc/94/24/48/993942448.db2.gz ZSGVVUKEVFGAJJ-SBHAEUEKSA-N 1 2 353.466 2.620 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C12CCC(CC1)C2 ZINC001081858176 994023942 /nfs/dbraw/zinc/02/39/42/994023942.db2.gz YDENCLQCBFLVHZ-IHWTVUROSA-N 1 2 370.468 2.573 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C12CCC(CC1)C2 ZINC001081858176 994023947 /nfs/dbraw/zinc/02/39/47/994023947.db2.gz YDENCLQCBFLVHZ-IHWTVUROSA-N 1 2 370.468 2.573 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001081974859 994073735 /nfs/dbraw/zinc/07/37/35/994073735.db2.gz GAAZUJYXKAQONY-QMCAAQAGSA-N 1 2 366.505 2.680 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001081974859 994073744 /nfs/dbraw/zinc/07/37/44/994073744.db2.gz GAAZUJYXKAQONY-QMCAAQAGSA-N 1 2 366.505 2.680 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C(C)(C)C1CCC1 ZINC001081991201 994090571 /nfs/dbraw/zinc/09/05/71/994090571.db2.gz OJCPQYXAYNHAJW-IAGOWNOFSA-N 1 2 361.511 2.761 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C(C)(C)C1CCC1 ZINC001081991201 994090583 /nfs/dbraw/zinc/09/05/83/994090583.db2.gz OJCPQYXAYNHAJW-IAGOWNOFSA-N 1 2 361.511 2.761 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2OC)CC1 ZINC001082098097 994155937 /nfs/dbraw/zinc/15/59/37/994155937.db2.gz QMWBIEBLFGHUCR-WOJBJXKFSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2OC)CC1 ZINC001082098097 994155940 /nfs/dbraw/zinc/15/59/40/994155940.db2.gz QMWBIEBLFGHUCR-WOJBJXKFSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H](C)c1ccc(C)o1 ZINC001082210258 994274363 /nfs/dbraw/zinc/27/43/63/994274363.db2.gz BDBVVDHPDXILMT-XFQXTVEOSA-N 1 2 367.449 2.579 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H](C)c1ccc(C)o1 ZINC001082210258 994274374 /nfs/dbraw/zinc/27/43/74/994274374.db2.gz BDBVVDHPDXILMT-XFQXTVEOSA-N 1 2 367.449 2.579 20 30 FFEDLO COc1cccc(NC(=O)[C@@H](C#N)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)c1 ZINC000810529950 994811695 /nfs/dbraw/zinc/81/16/95/994811695.db2.gz RSNRSVHXTBYPHN-KXBFYZLASA-N 1 2 361.417 2.555 20 30 FFEDLO COc1cccc(NC(=O)[C@@H](C#N)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)c1 ZINC000810529950 994811704 /nfs/dbraw/zinc/81/17/04/994811704.db2.gz RSNRSVHXTBYPHN-KXBFYZLASA-N 1 2 361.417 2.555 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001082533639 994839889 /nfs/dbraw/zinc/83/98/89/994839889.db2.gz PZLKXHOHHQORTF-BXUZGUMPSA-N 1 2 366.893 2.737 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)CO2 ZINC001054013304 1015924007 /nfs/dbraw/zinc/92/40/07/1015924007.db2.gz SACUZPOECPYRJL-VNQPRFMTSA-N 1 2 362.420 2.604 20 30 FFEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001054047337 1015931902 /nfs/dbraw/zinc/93/19/02/1015931902.db2.gz ZUNDWXMJWDGPGF-SJBKTWHCSA-N 1 2 352.478 2.512 20 30 FFEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001054047337 1015931909 /nfs/dbraw/zinc/93/19/09/1015931909.db2.gz ZUNDWXMJWDGPGF-SJBKTWHCSA-N 1 2 352.478 2.512 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C(F)F)no3)C2)CC1 ZINC001082722769 995357328 /nfs/dbraw/zinc/35/73/28/995357328.db2.gz HHBYRKYLDSOGTB-DGCLKSJQSA-N 1 2 354.401 2.690 20 30 FFEDLO C#Cc1cccc(NC(=S)N[NH+]=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000727260512 995744023 /nfs/dbraw/zinc/74/40/23/995744023.db2.gz YYCZDTFICXQMBL-UHFFFAOYSA-N 1 2 364.474 2.825 20 30 FFEDLO Cc1sccc1C(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001083075074 996029912 /nfs/dbraw/zinc/02/99/12/996029912.db2.gz CPVFNUXTSSEOST-RBUKOAKNSA-N 1 2 367.474 2.654 20 30 FFEDLO Cc1sccc1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001083075074 996029917 /nfs/dbraw/zinc/02/99/17/996029917.db2.gz CPVFNUXTSSEOST-RBUKOAKNSA-N 1 2 367.474 2.654 20 30 FFEDLO Cc1cscc1C(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001083040545 996037217 /nfs/dbraw/zinc/03/72/17/996037217.db2.gz SBXHEIIEXNDPOV-RBUKOAKNSA-N 1 2 367.474 2.654 20 30 FFEDLO Cc1cscc1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001083040545 996037221 /nfs/dbraw/zinc/03/72/21/996037221.db2.gz SBXHEIIEXNDPOV-RBUKOAKNSA-N 1 2 367.474 2.654 20 30 FFEDLO Cc1noc(C)c1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084181123 996312006 /nfs/dbraw/zinc/31/20/06/996312006.db2.gz BDSXUDMSCNSBOV-QZTJIDSGSA-N 1 2 350.422 2.510 20 30 FFEDLO Cc1noc(C)c1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084181123 996312012 /nfs/dbraw/zinc/31/20/12/996312012.db2.gz BDSXUDMSCNSBOV-QZTJIDSGSA-N 1 2 350.422 2.510 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)co1 ZINC001084303662 996435353 /nfs/dbraw/zinc/43/53/53/996435353.db2.gz PWEQVULBFKWYDF-DNVCBOLYSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)co1 ZINC001084303662 996435355 /nfs/dbraw/zinc/43/53/55/996435355.db2.gz PWEQVULBFKWYDF-DNVCBOLYSA-N 1 2 353.397 2.945 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[N@@H+]([C@H](C)c3ncc(C)o3)C[C@H]21 ZINC001084408616 996553062 /nfs/dbraw/zinc/55/30/62/996553062.db2.gz ROSZKQIBKBIHMM-JFIYKMOQSA-N 1 2 354.454 2.878 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[N@H+]([C@H](C)c3ncc(C)o3)C[C@H]21 ZINC001084408616 996553066 /nfs/dbraw/zinc/55/30/66/996553066.db2.gz ROSZKQIBKBIHMM-JFIYKMOQSA-N 1 2 354.454 2.878 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)cn3)C[C@H]21 ZINC001084408880 996553210 /nfs/dbraw/zinc/55/32/10/996553210.db2.gz ANSMSWFFRWNMPP-DNVCBOLYSA-N 1 2 354.429 2.555 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)cn3)C[C@H]21 ZINC001084408880 996553215 /nfs/dbraw/zinc/55/32/15/996553215.db2.gz ANSMSWFFRWNMPP-DNVCBOLYSA-N 1 2 354.429 2.555 20 30 FFEDLO Cc1noc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)c1C ZINC001084437497 996589660 /nfs/dbraw/zinc/58/96/60/996589660.db2.gz WOTHONPXEZSVPA-SJLPKXTDSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1noc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)c1C ZINC001084437497 996589663 /nfs/dbraw/zinc/58/96/63/996589663.db2.gz WOTHONPXEZSVPA-SJLPKXTDSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1cnc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)c(C)c1 ZINC001084537115 996657936 /nfs/dbraw/zinc/65/79/36/996657936.db2.gz HXTYIRZLAFEXGU-WOJBJXKFSA-N 1 2 360.461 2.917 20 30 FFEDLO Cc1cnc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)c(C)c1 ZINC001084537115 996657940 /nfs/dbraw/zinc/65/79/40/996657940.db2.gz HXTYIRZLAFEXGU-WOJBJXKFSA-N 1 2 360.461 2.917 20 30 FFEDLO Cc1c(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[nH+]c2ccccn12 ZINC001137268627 1016054457 /nfs/dbraw/zinc/05/44/57/1016054457.db2.gz ZKXWHGXUBWGNGT-HNNXBMFYSA-N 1 2 355.442 2.588 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Oc3ccc(OC)cc3)[C@@H]2C1 ZINC001084562252 996691152 /nfs/dbraw/zinc/69/11/52/996691152.db2.gz KTBBHKJTDMMHCW-HDMKZQKVSA-N 1 2 364.873 2.748 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Oc3ccc(OC)cc3)[C@@H]2C1 ZINC001084562252 996691156 /nfs/dbraw/zinc/69/11/56/996691156.db2.gz KTBBHKJTDMMHCW-HDMKZQKVSA-N 1 2 364.873 2.748 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001096549425 1016060118 /nfs/dbraw/zinc/06/01/18/1016060118.db2.gz YGWYTHJTPMUOTK-MSOLQXFVSA-N 1 2 358.486 2.584 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)c(COC)c3)[C@@H]2C1 ZINC001084649258 996761020 /nfs/dbraw/zinc/76/10/20/996761020.db2.gz GNEZUMFOPOKXML-RHSMWYFYSA-N 1 2 352.837 2.871 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)c(COC)c3)[C@@H]2C1 ZINC001084649258 996761022 /nfs/dbraw/zinc/76/10/22/996761022.db2.gz GNEZUMFOPOKXML-RHSMWYFYSA-N 1 2 352.837 2.871 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(OCc2ccncc2)c1 ZINC000730097356 996846846 /nfs/dbraw/zinc/84/68/46/996846846.db2.gz RLFWZWYKQFMDHT-SFHVURJKSA-N 1 2 365.433 2.705 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(OCc2ccncc2)c1 ZINC000730097356 996846861 /nfs/dbraw/zinc/84/68/61/996846861.db2.gz RLFWZWYKQFMDHT-SFHVURJKSA-N 1 2 365.433 2.705 20 30 FFEDLO CCOC(=O)c1c(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)cnn1C ZINC001136910326 997018450 /nfs/dbraw/zinc/01/84/50/997018450.db2.gz YHHXZWKGFGXULY-SFHVURJKSA-N 1 2 368.437 2.512 20 30 FFEDLO CCOC(=O)c1c(C[N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)cnn1C ZINC001136910326 997018463 /nfs/dbraw/zinc/01/84/63/997018463.db2.gz YHHXZWKGFGXULY-SFHVURJKSA-N 1 2 368.437 2.512 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)c(C)o1 ZINC001084737488 997128227 /nfs/dbraw/zinc/12/82/27/997128227.db2.gz MSIHZIRPUPFFRI-SJLPKXTDSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)c(C)o1 ZINC001084737488 997128235 /nfs/dbraw/zinc/12/82/35/997128235.db2.gz MSIHZIRPUPFFRI-SJLPKXTDSA-N 1 2 368.412 2.649 20 30 FFEDLO O=C(c1cnoc1C1CC1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084752966 997202745 /nfs/dbraw/zinc/20/27/45/997202745.db2.gz NEWNLMZMPQMDFG-UYAOXDASSA-N 1 2 361.445 2.750 20 30 FFEDLO O=C(c1cnoc1C1CC1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084752966 997202759 /nfs/dbraw/zinc/20/27/59/997202759.db2.gz NEWNLMZMPQMDFG-UYAOXDASSA-N 1 2 361.445 2.750 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001090853886 997329089 /nfs/dbraw/zinc/32/90/89/997329089.db2.gz OPLQPZDCXICISR-AYOQOUSVSA-N 1 2 366.465 2.783 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2Cl)C[C@H]1NC(=O)CSCC#N ZINC001206090417 1032139781 /nfs/dbraw/zinc/13/97/81/1032139781.db2.gz TXPTZWAKMCIBSH-BXUZGUMPSA-N 1 2 355.866 2.672 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2Cl)C[C@H]1NC(=O)CSCC#N ZINC001206090417 1032139789 /nfs/dbraw/zinc/13/97/89/1032139789.db2.gz TXPTZWAKMCIBSH-BXUZGUMPSA-N 1 2 355.866 2.672 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001056452086 1016150641 /nfs/dbraw/zinc/15/06/41/1016150641.db2.gz DIXGJLBYDWRLMB-JOCBIADPSA-N 1 2 370.497 2.707 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001056452086 1016150646 /nfs/dbraw/zinc/15/06/46/1016150646.db2.gz DIXGJLBYDWRLMB-JOCBIADPSA-N 1 2 370.497 2.707 20 30 FFEDLO CC(F)(F)C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001084879191 997781228 /nfs/dbraw/zinc/78/12/28/997781228.db2.gz OKCKEPDQZLOLCV-WBMJQRKESA-N 1 2 351.372 2.775 20 30 FFEDLO CC(F)(F)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001084879191 997781238 /nfs/dbraw/zinc/78/12/38/997781238.db2.gz OKCKEPDQZLOLCV-WBMJQRKESA-N 1 2 351.372 2.775 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1OC ZINC001090930438 997808161 /nfs/dbraw/zinc/80/81/61/997808161.db2.gz JHGHNGDAKZVSLR-KBRIMQKVSA-N 1 2 358.486 2.585 20 30 FFEDLO CC(C)(C)OC(=O)N1CCO[C@]2(CCC[N@H+](Cc3cncc(C#N)c3)C2)C1 ZINC001144074362 997988361 /nfs/dbraw/zinc/98/83/61/997988361.db2.gz KPSBATSGGHSEHM-FQEVSTJZSA-N 1 2 372.469 2.555 20 30 FFEDLO CC(C)(C)OC(=O)N1CCO[C@]2(CCC[N@@H+](Cc3cncc(C#N)c3)C2)C1 ZINC001144074362 997988372 /nfs/dbraw/zinc/98/83/72/997988372.db2.gz KPSBATSGGHSEHM-FQEVSTJZSA-N 1 2 372.469 2.555 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2cncc(C#N)c2)Cc2nn(CC3CC3)cc21 ZINC001144074808 997990372 /nfs/dbraw/zinc/99/03/72/997990372.db2.gz FNTKODHNSTZTSL-GOSISDBHSA-N 1 2 351.454 2.696 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2cncc(C#N)c2)Cc2nn(CC3CC3)cc21 ZINC001144074808 997990382 /nfs/dbraw/zinc/99/03/82/997990382.db2.gz FNTKODHNSTZTSL-GOSISDBHSA-N 1 2 351.454 2.696 20 30 FFEDLO N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C/C(Cl)=C/Cl)[C@H]3C2)[nH]1 ZINC001084923509 998105181 /nfs/dbraw/zinc/10/51/81/998105181.db2.gz VLMNTLFCHREOGL-NHFGVRTKSA-N 1 2 353.253 2.742 20 30 FFEDLO N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C/C(Cl)=C/Cl)[C@H]3C2)[nH]1 ZINC001084923509 998105185 /nfs/dbraw/zinc/10/51/85/998105185.db2.gz VLMNTLFCHREOGL-NHFGVRTKSA-N 1 2 353.253 2.742 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(CC)o3)[C@H]2C1 ZINC001084958893 998359835 /nfs/dbraw/zinc/35/98/35/998359835.db2.gz CKNATQBVVHNDDW-APWZRJJASA-N 1 2 368.481 2.961 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(CC)o3)[C@H]2C1 ZINC001084958893 998359845 /nfs/dbraw/zinc/35/98/45/998359845.db2.gz CKNATQBVVHNDDW-APWZRJJASA-N 1 2 368.481 2.961 20 30 FFEDLO Cc1nc(NC(=N)c2ccc3cc(O)ccc3c2)cc(N2CCOCC2)[nH+]1 ZINC001171175833 998484345 /nfs/dbraw/zinc/48/43/45/998484345.db2.gz FODVRWQOZPCWPS-UHFFFAOYSA-N 1 2 363.421 2.517 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(C)s4)[C@H]3C2)cc1 ZINC001085003432 998643144 /nfs/dbraw/zinc/64/31/44/998643144.db2.gz MPAQQFRMVCJBIT-AEFFLSMTSA-N 1 2 366.490 2.564 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc(C)s4)[C@H]3C2)cc1 ZINC001085003432 998643148 /nfs/dbraw/zinc/64/31/48/998643148.db2.gz MPAQQFRMVCJBIT-AEFFLSMTSA-N 1 2 366.490 2.564 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(C(C)C)o3)[C@H]2C1 ZINC001085037774 998741698 /nfs/dbraw/zinc/74/16/98/998741698.db2.gz BYFPWMXKTDYICN-BDXSIMOUSA-N 1 2 373.497 2.812 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(C(C)C)o3)[C@H]2C1 ZINC001085037774 998741701 /nfs/dbraw/zinc/74/17/01/998741701.db2.gz BYFPWMXKTDYICN-BDXSIMOUSA-N 1 2 373.497 2.812 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cnoc3CC)C[C@@H]21 ZINC001085046705 998762361 /nfs/dbraw/zinc/76/23/61/998762361.db2.gz SEMLLKVAGCFXSZ-OCCSQVGLSA-N 1 2 368.275 2.682 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnoc3CC)C[C@@H]21 ZINC001085046705 998762366 /nfs/dbraw/zinc/76/23/66/998762366.db2.gz SEMLLKVAGCFXSZ-OCCSQVGLSA-N 1 2 368.275 2.682 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[C@H]3CCC)CC2)C1 ZINC001065707425 999124178 /nfs/dbraw/zinc/12/41/78/999124178.db2.gz TXESDBVPYWAKBY-CEXWTWQISA-N 1 2 361.530 2.524 20 30 FFEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)CC2)C1 ZINC001065691454 999124189 /nfs/dbraw/zinc/12/41/89/999124189.db2.gz KFNGILMMGRKHAU-ZGXWSNOMSA-N 1 2 373.541 2.524 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H](C)c2noc(C)n2)cc1 ZINC001085293257 999315935 /nfs/dbraw/zinc/31/59/35/999315935.db2.gz BEXDNUXSVSMICK-FSPWUOQZSA-N 1 2 352.438 2.751 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001085734065 999620146 /nfs/dbraw/zinc/62/01/46/999620146.db2.gz WXTFWAXYJSRPDD-AQNXPRMDSA-N 1 2 358.457 2.525 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001085734065 999620148 /nfs/dbraw/zinc/62/01/48/999620148.db2.gz WXTFWAXYJSRPDD-AQNXPRMDSA-N 1 2 358.457 2.525 20 30 FFEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001085831305 999648639 /nfs/dbraw/zinc/64/86/39/999648639.db2.gz YADQCMMUSNTXER-ZYSHUDEJSA-N 1 2 366.490 2.851 20 30 FFEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001085831305 999648640 /nfs/dbraw/zinc/64/86/40/999648640.db2.gz YADQCMMUSNTXER-ZYSHUDEJSA-N 1 2 366.490 2.851 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000739904153 999657196 /nfs/dbraw/zinc/65/71/96/999657196.db2.gz OZJDQXDKVUYMLD-SBHAEUEKSA-N 1 2 361.445 2.841 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001085869336 999666621 /nfs/dbraw/zinc/66/66/21/999666621.db2.gz OCOBURNYKBKPCH-AABGKKOBSA-N 1 2 353.466 2.572 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001085869336 999666623 /nfs/dbraw/zinc/66/66/23/999666623.db2.gz OCOBURNYKBKPCH-AABGKKOBSA-N 1 2 353.466 2.572 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1nc(C)c(C)s1 ZINC001085869545 999666662 /nfs/dbraw/zinc/66/66/62/999666662.db2.gz TUQOAPBTTSOKGQ-RYRKJORJSA-N 1 2 363.527 2.774 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1nc(C)c(C)s1 ZINC001085869545 999666664 /nfs/dbraw/zinc/66/66/64/999666664.db2.gz TUQOAPBTTSOKGQ-RYRKJORJSA-N 1 2 363.527 2.774 20 30 FFEDLO N#Cc1ccccc1OCC(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001273384258 999718407 /nfs/dbraw/zinc/71/84/07/999718407.db2.gz HASMZKXKDKSPQZ-UHFFFAOYSA-N 1 2 367.371 2.566 20 30 FFEDLO N#Cc1ccccc1OCC(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001273384258 999718408 /nfs/dbraw/zinc/71/84/08/999718408.db2.gz HASMZKXKDKSPQZ-UHFFFAOYSA-N 1 2 367.371 2.566 20 30 FFEDLO C[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000741796948 999743494 /nfs/dbraw/zinc/74/34/94/999743494.db2.gz GOUBPDGVMISXMX-RDTXWAMCSA-N 1 2 372.428 2.958 20 30 FFEDLO C[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000741796948 999743496 /nfs/dbraw/zinc/74/34/96/999743496.db2.gz GOUBPDGVMISXMX-RDTXWAMCSA-N 1 2 372.428 2.958 20 30 FFEDLO CC[N@@H+](C)[C@H](C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000745099244 999893050 /nfs/dbraw/zinc/89/30/50/999893050.db2.gz XWFBTJGNWPGUEA-RIFZZMRRSA-N 1 2 359.470 2.666 20 30 FFEDLO CC[N@H+](C)[C@H](C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000745099244 999893048 /nfs/dbraw/zinc/89/30/48/999893048.db2.gz XWFBTJGNWPGUEA-RIFZZMRRSA-N 1 2 359.470 2.666 20 30 FFEDLO CC[N@H+](C)[C@@H](C(=O)OCC(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1 ZINC000745099944 999893123 /nfs/dbraw/zinc/89/31/23/999893123.db2.gz JJLFPHWROVXSRB-GOSISDBHSA-N 1 2 369.421 2.943 20 30 FFEDLO CC[N@@H+](C)[C@@H](C(=O)OCC(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1 ZINC000745099944 999893124 /nfs/dbraw/zinc/89/31/24/999893124.db2.gz JJLFPHWROVXSRB-GOSISDBHSA-N 1 2 369.421 2.943 20 30 FFEDLO C#CC[N@@H+](CC)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000746457968 999994130 /nfs/dbraw/zinc/99/41/30/999994130.db2.gz XFGKIICCFSLVFW-FQEVSTJZSA-N 1 2 350.418 2.728 20 30 FFEDLO C#CC[N@H+](CC)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000746457968 999994131 /nfs/dbraw/zinc/99/41/31/999994131.db2.gz XFGKIICCFSLVFW-FQEVSTJZSA-N 1 2 350.418 2.728 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001156319947 1000048547 /nfs/dbraw/zinc/04/85/47/1000048547.db2.gz KJERLHUSGDOZGT-VIFPVBQESA-N 1 2 358.179 2.783 20 30 FFEDLO C=CC[C@@]1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CCCN1C(=O)OC(C)(C)C ZINC000804334946 1000069542 /nfs/dbraw/zinc/06/95/42/1000069542.db2.gz NEKBYTIGUFPFLZ-QRWLVFNGSA-N 1 2 374.485 2.660 20 30 FFEDLO CCOC1CC(CNc2nc3ccccc3cc2C#N)([NH+]2CCOCC2)C1 ZINC000767430871 1000114537 /nfs/dbraw/zinc/11/45/37/1000114537.db2.gz KZHOLWZWNAXOCF-UHFFFAOYSA-N 1 2 366.465 2.788 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCCC)C3)c1 ZINC001108935554 1000134815 /nfs/dbraw/zinc/13/48/15/1000134815.db2.gz XAPWVVZSJIZPOV-AABGKKOBSA-N 1 2 367.493 2.908 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCCC)C3)c1 ZINC001108935554 1000134816 /nfs/dbraw/zinc/13/48/16/1000134816.db2.gz XAPWVVZSJIZPOV-AABGKKOBSA-N 1 2 367.493 2.908 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001108999846 1000147165 /nfs/dbraw/zinc/14/71/65/1000147165.db2.gz VHOSZANTKSLZNH-KTGNWYGMSA-N 1 2 373.472 2.980 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001108999846 1000147166 /nfs/dbraw/zinc/14/71/66/1000147166.db2.gz VHOSZANTKSLZNH-KTGNWYGMSA-N 1 2 373.472 2.980 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccncc1Cl ZINC001109120135 1000169879 /nfs/dbraw/zinc/16/98/79/1000169879.db2.gz DVHJURWAVRYCCH-NJAFHUGGSA-N 1 2 363.889 2.939 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccncc1Cl ZINC001109120135 1000169880 /nfs/dbraw/zinc/16/98/80/1000169880.db2.gz DVHJURWAVRYCCH-NJAFHUGGSA-N 1 2 363.889 2.939 20 30 FFEDLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)C)C3)c1 ZINC001109250760 1000201919 /nfs/dbraw/zinc/20/19/19/1000201919.db2.gz UOTAGWJFYLMJKI-LMCOJAPRSA-N 1 2 367.493 2.703 20 30 FFEDLO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)C)C3)c1 ZINC001109250760 1000201920 /nfs/dbraw/zinc/20/19/20/1000201920.db2.gz UOTAGWJFYLMJKI-LMCOJAPRSA-N 1 2 367.493 2.703 20 30 FFEDLO CCOc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)(C)C)C3)n1 ZINC001109260470 1000205134 /nfs/dbraw/zinc/20/51/34/1000205134.db2.gz IKWTUNXAMZVEJF-SQNIBIBYSA-N 1 2 355.482 2.751 20 30 FFEDLO CCOc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)(C)C)C3)n1 ZINC001109260470 1000205138 /nfs/dbraw/zinc/20/51/38/1000205138.db2.gz IKWTUNXAMZVEJF-SQNIBIBYSA-N 1 2 355.482 2.751 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001109267187 1000209227 /nfs/dbraw/zinc/20/92/27/1000209227.db2.gz CUVCFAUVEWNJAE-BVGQSLNGSA-N 1 2 360.502 2.714 20 30 FFEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2c(COc3ccccn3)nnc2C1 ZINC001171216815 1000229152 /nfs/dbraw/zinc/22/91/52/1000229152.db2.gz MAMWTHSPFUHEOE-INIZCTEOSA-N 1 2 374.448 2.571 20 30 FFEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCn2c(COc3ccccn3)nnc2C1 ZINC001171216815 1000229158 /nfs/dbraw/zinc/22/91/58/1000229158.db2.gz MAMWTHSPFUHEOE-INIZCTEOSA-N 1 2 374.448 2.571 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C(F)F)CC2)C3)c(F)c1 ZINC001109287998 1000229639 /nfs/dbraw/zinc/22/96/39/1000229639.db2.gz OLMKGCVNVUAEEO-KBMXLJTQSA-N 1 2 363.383 2.964 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C(F)F)CC2)C3)c(F)c1 ZINC001109287998 1000229646 /nfs/dbraw/zinc/22/96/46/1000229646.db2.gz OLMKGCVNVUAEEO-KBMXLJTQSA-N 1 2 363.383 2.964 20 30 FFEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(C#N)cc3C)CC2)n1 ZINC000846753962 1000420579 /nfs/dbraw/zinc/42/05/79/1000420579.db2.gz XDCTVVLTNGLHMX-HNNXBMFYSA-N 1 2 355.442 2.669 20 30 FFEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3ccc(C#N)cc3C)CC2)n1 ZINC000846753962 1000420582 /nfs/dbraw/zinc/42/05/82/1000420582.db2.gz XDCTVVLTNGLHMX-HNNXBMFYSA-N 1 2 355.442 2.669 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC)o1)C2 ZINC001109452920 1000492915 /nfs/dbraw/zinc/49/29/15/1000492915.db2.gz KRAKNQBPRPHKJO-NJAFHUGGSA-N 1 2 373.497 2.602 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC)o1)C2 ZINC001109452920 1000492920 /nfs/dbraw/zinc/49/29/20/1000492920.db2.gz KRAKNQBPRPHKJO-NJAFHUGGSA-N 1 2 373.497 2.602 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCc1cccc(OC)c1)C2 ZINC001109481793 1000541431 /nfs/dbraw/zinc/54/14/31/1000541431.db2.gz KHMCBIMCQGGGGX-NJAFHUGGSA-N 1 2 364.873 2.686 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCc1cccc(OC)c1)C2 ZINC001109481793 1000541436 /nfs/dbraw/zinc/54/14/36/1000541436.db2.gz KHMCBIMCQGGGGX-NJAFHUGGSA-N 1 2 364.873 2.686 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(OC)ccn1 ZINC001109563438 1000647436 /nfs/dbraw/zinc/64/74/36/1000647436.db2.gz UXBIYABQZHMLMJ-SAJDGTNDSA-N 1 2 373.497 2.541 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(OC)ccn1 ZINC001109563438 1000647441 /nfs/dbraw/zinc/64/74/41/1000647441.db2.gz UXBIYABQZHMLMJ-SAJDGTNDSA-N 1 2 373.497 2.541 20 30 FFEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001091605642 1000777601 /nfs/dbraw/zinc/77/76/01/1000777601.db2.gz AEOIKRUECHCXNU-YESZJQIVSA-N 1 2 358.486 2.644 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nn(C)c1Cl ZINC001109656218 1000793997 /nfs/dbraw/zinc/79/39/97/1000793997.db2.gz JLNNCHSHMUDUAS-KBMXLJTQSA-N 1 2 350.894 2.960 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nn(C)c1Cl ZINC001109656218 1000794003 /nfs/dbraw/zinc/79/40/03/1000794003.db2.gz JLNNCHSHMUDUAS-KBMXLJTQSA-N 1 2 350.894 2.960 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(CC)CC)CCC1 ZINC001109680517 1000833154 /nfs/dbraw/zinc/83/31/54/1000833154.db2.gz MKYIEYGGUAFLKD-SQNIBIBYSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(CC)CC)CCC1 ZINC001109680517 1000833155 /nfs/dbraw/zinc/83/31/55/1000833155.db2.gz MKYIEYGGUAFLKD-SQNIBIBYSA-N 1 2 361.530 2.759 20 30 FFEDLO N#Cc1c(F)cccc1N[C@@H]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001091620633 1000848344 /nfs/dbraw/zinc/84/83/44/1000848344.db2.gz AZRBNLQMBCRCRM-LSDHHAIUSA-N 1 2 355.417 2.681 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001109769567 1000976432 /nfs/dbraw/zinc/97/64/32/1000976432.db2.gz JQNVYNOXIZLPFD-SQNIBIBYSA-N 1 2 373.541 2.615 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001109769567 1000976435 /nfs/dbraw/zinc/97/64/35/1000976435.db2.gz JQNVYNOXIZLPFD-SQNIBIBYSA-N 1 2 373.541 2.615 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091656459 1000977222 /nfs/dbraw/zinc/97/72/22/1000977222.db2.gz QYZSDFLGGVJDEG-DLBZAZTESA-N 1 2 368.485 2.527 20 30 FFEDLO C[C@]12CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2 ZINC001091691068 1001061993 /nfs/dbraw/zinc/06/19/93/1001061993.db2.gz ORMRVFLKNXFUET-INMHGKMJSA-N 1 2 369.362 2.739 20 30 FFEDLO C[C@]12CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[N@@H+](Cc1ccccc1C#N)C2 ZINC001091691068 1001062000 /nfs/dbraw/zinc/06/20/00/1001062000.db2.gz ORMRVFLKNXFUET-INMHGKMJSA-N 1 2 369.362 2.739 20 30 FFEDLO CCCCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CC1 ZINC001110022976 1001331489 /nfs/dbraw/zinc/33/14/89/1001331489.db2.gz GNXHKCXCUUSLCC-QYZOEREBSA-N 1 2 363.546 2.985 20 30 FFEDLO CCCCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CC1 ZINC001110022976 1001331496 /nfs/dbraw/zinc/33/14/96/1001331496.db2.gz GNXHKCXCUUSLCC-QYZOEREBSA-N 1 2 363.546 2.985 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)on1 ZINC001096793810 1016549605 /nfs/dbraw/zinc/54/96/05/1016549605.db2.gz OBJHZJCHFBLGEQ-OIISXLGYSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)on1 ZINC001096793810 1016549615 /nfs/dbraw/zinc/54/96/15/1016549615.db2.gz OBJHZJCHFBLGEQ-OIISXLGYSA-N 1 2 354.385 2.529 20 30 FFEDLO C=CCCC1(C(=O)N[C@H]2CCN(c3[nH+]cnc4c3cnn4C)[C@@H]2CC)CC1 ZINC001091826485 1001972676 /nfs/dbraw/zinc/97/26/76/1001972676.db2.gz AROPBFZUVCPXKU-JKSUJKDBSA-N 1 2 368.485 2.583 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CCN(c3[nH+]cnc4c3cnn4C)[C@@H]2C)CCCC1 ZINC001091987015 1002183173 /nfs/dbraw/zinc/18/31/73/1002183173.db2.gz JYOPCJQGRRMGJJ-ZBFHGGJFSA-N 1 2 368.485 2.583 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](Nc1cccc(F)c1C#N)C1CC1 ZINC001096816675 1016589687 /nfs/dbraw/zinc/58/96/87/1016589687.db2.gz AHRRDRUESXOJKE-HBUWYVDXSA-N 1 2 367.428 2.541 20 30 FFEDLO CC1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)[C@](C)(CO)C1 ZINC001183829578 1002401684 /nfs/dbraw/zinc/40/16/84/1002401684.db2.gz WNYQYSOIBOADBF-KNQAVFIVSA-N 1 2 369.509 2.922 20 30 FFEDLO CC1(C)CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)[C@](C)(CO)C1 ZINC001183829578 1002401689 /nfs/dbraw/zinc/40/16/89/1002401689.db2.gz WNYQYSOIBOADBF-KNQAVFIVSA-N 1 2 369.509 2.922 20 30 FFEDLO CC1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)[C@@](C)(CO)C1 ZINC001183829579 1002402088 /nfs/dbraw/zinc/40/20/88/1002402088.db2.gz WNYQYSOIBOADBF-SIKLNZKXSA-N 1 2 369.509 2.922 20 30 FFEDLO CC1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)[C@@](C)(CO)C1 ZINC001183829579 1002402096 /nfs/dbraw/zinc/40/20/96/1002402096.db2.gz WNYQYSOIBOADBF-SIKLNZKXSA-N 1 2 369.509 2.922 20 30 FFEDLO CC(C)[C@@H]1COCCN1C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183829875 1002402332 /nfs/dbraw/zinc/40/23/32/1002402332.db2.gz AGRXZJPIRRNUAQ-PMACEKPBSA-N 1 2 355.482 2.796 20 30 FFEDLO CC(C)[C@@H]1COCCN1C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183829875 1002402338 /nfs/dbraw/zinc/40/23/38/1002402338.db2.gz AGRXZJPIRRNUAQ-PMACEKPBSA-N 1 2 355.482 2.796 20 30 FFEDLO Cc1nc(NCC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)ccc1C#N ZINC001113465578 1002548811 /nfs/dbraw/zinc/54/88/11/1002548811.db2.gz MAHDZGZUYSBMGR-HZPDHXFCSA-N 1 2 366.469 2.685 20 30 FFEDLO Cc1nc(NCC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccc1C#N ZINC001113465578 1002548817 /nfs/dbraw/zinc/54/88/17/1002548817.db2.gz MAHDZGZUYSBMGR-HZPDHXFCSA-N 1 2 366.469 2.685 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+](C/C(Cl)=C/Cl)C[C@@]3(C)C2)cn1 ZINC001092211416 1002559755 /nfs/dbraw/zinc/55/97/55/1002559755.db2.gz FUEJCNHEDHYFET-STPVIERDSA-N 1 2 364.276 2.776 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](C/C(Cl)=C/Cl)C[C@@]3(C)C2)cn1 ZINC001092211416 1002559765 /nfs/dbraw/zinc/55/97/65/1002559765.db2.gz FUEJCNHEDHYFET-STPVIERDSA-N 1 2 364.276 2.776 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c(C)ncn2C)C1 ZINC001086593866 1002560919 /nfs/dbraw/zinc/56/09/19/1002560919.db2.gz SKEWAEITTCVYQD-DLBZAZTESA-N 1 2 358.873 2.679 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c(C)ncn2C)C1 ZINC001086593866 1002560928 /nfs/dbraw/zinc/56/09/28/1002560928.db2.gz SKEWAEITTCVYQD-DLBZAZTESA-N 1 2 358.873 2.679 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(N(C)C(=O)OC(C)(C)C)cc2)CC1 ZINC001184458737 1002623895 /nfs/dbraw/zinc/62/38/95/1002623895.db2.gz MTLBUHIGURNILC-UHFFFAOYSA-N 1 2 373.497 2.931 20 30 FFEDLO CCC[C@H](C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C#N)nc2)C1 ZINC001092313784 1002662726 /nfs/dbraw/zinc/66/27/26/1002662726.db2.gz QIDNJIPZNMITQC-BMGDILEWSA-N 1 2 366.469 2.529 20 30 FFEDLO Cc1cc(C[NH+]2CCN(c3cc(Br)ccc3C#N)CC2)on1 ZINC001184681871 1002699688 /nfs/dbraw/zinc/69/96/88/1002699688.db2.gz XDDMDUOVWGTRQK-UHFFFAOYSA-N 1 2 361.243 2.939 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3nncs3)C[C@@]2(C)C1)c1ccccc1 ZINC001092294850 1002709330 /nfs/dbraw/zinc/70/93/30/1002709330.db2.gz HYCGNSPTQHBQMR-HLIPFELVSA-N 1 2 368.506 2.788 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3nncs3)C[C@@]2(C)C1)c1ccccc1 ZINC001092294850 1002709344 /nfs/dbraw/zinc/70/93/44/1002709344.db2.gz HYCGNSPTQHBQMR-HLIPFELVSA-N 1 2 368.506 2.788 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3nc(C)no3)C[C@@]2(C)C1)c1ccccc1 ZINC001092294526 1002710230 /nfs/dbraw/zinc/71/02/30/1002710230.db2.gz VVVRBFKUDLQBSY-OPYAIIAOSA-N 1 2 366.465 2.628 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3nc(C)no3)C[C@@]2(C)C1)c1ccccc1 ZINC001092294526 1002710242 /nfs/dbraw/zinc/71/02/42/1002710242.db2.gz VVVRBFKUDLQBSY-OPYAIIAOSA-N 1 2 366.465 2.628 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cccn3)cc1)C2 ZINC001095534949 1016674284 /nfs/dbraw/zinc/67/42/84/1016674284.db2.gz OVSVSVSMNONTHW-SQNIBIBYSA-N 1 2 356.857 2.960 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cccn3)cc1)C2 ZINC001095534949 1016674291 /nfs/dbraw/zinc/67/42/91/1016674291.db2.gz OVSVSVSMNONTHW-SQNIBIBYSA-N 1 2 356.857 2.960 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110359383 1002894359 /nfs/dbraw/zinc/89/43/59/1002894359.db2.gz MCTHCPINQZAZJN-NOOVBMIQSA-N 1 2 370.468 2.714 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110359383 1002894374 /nfs/dbraw/zinc/89/43/74/1002894374.db2.gz MCTHCPINQZAZJN-NOOVBMIQSA-N 1 2 370.468 2.714 20 30 FFEDLO C=CCCc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c(=O)[nH]1 ZINC001185364585 1002932417 /nfs/dbraw/zinc/93/24/17/1002932417.db2.gz SHODNJVRNPGVEG-MRXNPFEDSA-N 1 2 365.424 2.851 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1c2ccccc2C[C@H]1C ZINC001110371367 1003097338 /nfs/dbraw/zinc/09/73/38/1003097338.db2.gz KIAOKMJCBFJRMB-UIXUWTQFSA-N 1 2 367.493 2.652 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1c2ccccc2C[C@H]1C ZINC001110371367 1003097343 /nfs/dbraw/zinc/09/73/43/1003097343.db2.gz KIAOKMJCBFJRMB-UIXUWTQFSA-N 1 2 367.493 2.652 20 30 FFEDLO CC[C@@H](C)CC[C@H](O)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000792834639 1003200642 /nfs/dbraw/zinc/20/06/42/1003200642.db2.gz UVALFJWOSVBFJE-XLIONFOSSA-N 1 2 357.498 2.780 20 30 FFEDLO C=CC[C@@]1(C(=O)OCCc2c[nH+]cn2C)CCCN1C(=O)OC(C)(C)C ZINC000793254765 1003320931 /nfs/dbraw/zinc/32/09/31/1003320931.db2.gz WQNFVYGVXLQWMV-IBGZPJMESA-N 1 2 363.458 2.852 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2sc(CC)nc2C)C1 ZINC001086614554 1003387117 /nfs/dbraw/zinc/38/71/17/1003387117.db2.gz CYJAHSMZLSLIMX-DLBZAZTESA-N 1 2 353.491 2.845 20 30 FFEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2sc(CC)nc2C)C1 ZINC001086614554 1003387124 /nfs/dbraw/zinc/38/71/24/1003387124.db2.gz CYJAHSMZLSLIMX-DLBZAZTESA-N 1 2 353.491 2.845 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H](CNc2ncnc3c2C[N@H+](C)CC3)[C@H](C)C1 ZINC001092672411 1003395380 /nfs/dbraw/zinc/39/53/80/1003395380.db2.gz BXFQWUNKRKSCKZ-IXDOHACOSA-N 1 2 371.529 2.573 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H](CNc2ncnc3c2C[N@@H+](C)CC3)[C@H](C)C1 ZINC001092672411 1003395392 /nfs/dbraw/zinc/39/53/92/1003395392.db2.gz BXFQWUNKRKSCKZ-IXDOHACOSA-N 1 2 371.529 2.573 20 30 FFEDLO CC(C)[C@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1ncccc1C#N ZINC001114121002 1003401085 /nfs/dbraw/zinc/40/10/85/1003401085.db2.gz CPLSSSYUCRNEQS-ZACQAIPSSA-N 1 2 366.469 2.765 20 30 FFEDLO CC(C)[C@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1ncccc1C#N ZINC001114121002 1003401088 /nfs/dbraw/zinc/40/10/88/1003401088.db2.gz CPLSSSYUCRNEQS-ZACQAIPSSA-N 1 2 366.469 2.765 20 30 FFEDLO CCCSCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187079436 1003560459 /nfs/dbraw/zinc/56/04/59/1003560459.db2.gz PHMAYBBYEZWXOI-MAUKXSAKSA-N 1 2 361.486 2.873 20 30 FFEDLO CCCSCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187079436 1003560470 /nfs/dbraw/zinc/56/04/70/1003560470.db2.gz PHMAYBBYEZWXOI-MAUKXSAKSA-N 1 2 361.486 2.873 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)co1 ZINC001096974858 1016792023 /nfs/dbraw/zinc/79/20/23/1016792023.db2.gz IROIVZLVCXCZMN-KYJSFNMBSA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)co1 ZINC001096974858 1016792034 /nfs/dbraw/zinc/79/20/34/1016792034.db2.gz IROIVZLVCXCZMN-KYJSFNMBSA-N 1 2 368.412 2.783 20 30 FFEDLO CC[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@H](C)C(=O)OC(C)(C)C ZINC001196056530 1003644911 /nfs/dbraw/zinc/64/49/11/1003644911.db2.gz LCDFUYCINBGXFF-WBVHZDCISA-N 1 2 362.470 2.544 20 30 FFEDLO CC[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@H](C)C(=O)OC(C)(C)C ZINC001196056530 1003644916 /nfs/dbraw/zinc/64/49/16/1003644916.db2.gz LCDFUYCINBGXFF-WBVHZDCISA-N 1 2 362.470 2.544 20 30 FFEDLO N#Cc1ccccc1NC(=S)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001196300922 1003740818 /nfs/dbraw/zinc/74/08/18/1003740818.db2.gz IKQGOQYIGRMLJO-UHFFFAOYSA-N 1 2 364.434 2.546 20 30 FFEDLO CC(C)CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001196351264 1003749479 /nfs/dbraw/zinc/74/94/79/1003749479.db2.gz CYZANBYHUCDLDA-RTBURBONSA-N 1 2 362.901 2.679 20 30 FFEDLO CC(C)CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001196351264 1003749484 /nfs/dbraw/zinc/74/94/84/1003749484.db2.gz CYZANBYHUCDLDA-RTBURBONSA-N 1 2 362.901 2.679 20 30 FFEDLO Cn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)c1 ZINC001096952049 1016818050 /nfs/dbraw/zinc/81/80/50/1016818050.db2.gz UBELOHDSEWVQCE-QRQLOZEOSA-N 1 2 352.413 2.571 20 30 FFEDLO Cn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)c1 ZINC001096952049 1016818064 /nfs/dbraw/zinc/81/80/64/1016818064.db2.gz UBELOHDSEWVQCE-QRQLOZEOSA-N 1 2 352.413 2.571 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC001191368078 1003801081 /nfs/dbraw/zinc/80/10/81/1003801081.db2.gz XLNDRJPKPFMKFW-LEWJYISDSA-N 1 2 357.498 2.845 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(F)cn2)C3)s1 ZINC001096988114 1016840344 /nfs/dbraw/zinc/84/03/44/1016840344.db2.gz PYFBYXLEIKKDJB-JLZZUVOBSA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(F)cn2)C3)s1 ZINC001096988114 1016840356 /nfs/dbraw/zinc/84/03/56/1016840356.db2.gz PYFBYXLEIKKDJB-JLZZUVOBSA-N 1 2 356.426 2.689 20 30 FFEDLO CC[C@@H]1C[C@@H](N2CC[NH2+]C[C@H]2C#N)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170484959 1004082277 /nfs/dbraw/zinc/08/22/77/1004082277.db2.gz SFOHDVQCYWENBE-YYIAUSFCSA-N 1 2 350.507 2.740 20 30 FFEDLO CCC(CC)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001197215337 1004125098 /nfs/dbraw/zinc/12/50/98/1004125098.db2.gz QBOAXUSYQATXOE-RTBURBONSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC(CC)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001197215337 1004125104 /nfs/dbraw/zinc/12/51/04/1004125104.db2.gz QBOAXUSYQATXOE-RTBURBONSA-N 1 2 362.901 2.679 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC=C)CCCCC1)C2 ZINC001111441245 1016863144 /nfs/dbraw/zinc/86/31/44/1016863144.db2.gz DLNIWFJKLNFCIM-KURKYZTESA-N 1 2 359.514 2.537 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC=C)CCCCC1)C2 ZINC001111441245 1016863156 /nfs/dbraw/zinc/86/31/56/1016863156.db2.gz DLNIWFJKLNFCIM-KURKYZTESA-N 1 2 359.514 2.537 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cc2c[nH]ccc-2n1 ZINC001095619539 1016865760 /nfs/dbraw/zinc/86/57/60/1016865760.db2.gz IYOXHSODSCPVSC-CBQOVEMMSA-N 1 2 370.456 2.950 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cc2c[nH]ccc-2n1 ZINC001095619539 1016865773 /nfs/dbraw/zinc/86/57/73/1016865773.db2.gz IYOXHSODSCPVSC-CBQOVEMMSA-N 1 2 370.456 2.950 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)c(OC)c2)C[C@H]1O ZINC001193337258 1004455298 /nfs/dbraw/zinc/45/52/98/1004455298.db2.gz MLGXRZDBZVSNEI-HZPDHXFCSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(OC)c2)C[C@H]1O ZINC001193337258 1004455299 /nfs/dbraw/zinc/45/52/99/1004455299.db2.gz MLGXRZDBZVSNEI-HZPDHXFCSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1F ZINC001110500618 1004461078 /nfs/dbraw/zinc/46/10/78/1004461078.db2.gz HEUIUGJCFKROPC-NWGLXNPWSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1F ZINC001110500618 1004461082 /nfs/dbraw/zinc/46/10/82/1004461082.db2.gz HEUIUGJCFKROPC-NWGLXNPWSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nsc2ccccc12 ZINC001110502935 1004490412 /nfs/dbraw/zinc/49/04/12/1004490412.db2.gz XCQAKMIVISOYBU-HMPASCQOSA-N 1 2 371.506 2.845 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nsc2ccccc12 ZINC001110502935 1004490415 /nfs/dbraw/zinc/49/04/15/1004490415.db2.gz XCQAKMIVISOYBU-HMPASCQOSA-N 1 2 371.506 2.845 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2c(C)nn(Cc3cccc(C)c3)c2C)CC1 ZINC001198512295 1004655543 /nfs/dbraw/zinc/65/55/43/1004655543.db2.gz GMXIHKIWQVPWOH-UHFFFAOYSA-N 1 2 352.482 2.800 20 30 FFEDLO CC[N@@H+](Cc1ccccc1)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000101535362 1004858580 /nfs/dbraw/zinc/85/85/80/1004858580.db2.gz KCRVASDFMIITRA-OAQYLSRUSA-N 1 2 362.433 2.805 20 30 FFEDLO CC[N@H+](Cc1ccccc1)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000101535362 1004858584 /nfs/dbraw/zinc/85/85/84/1004858584.db2.gz KCRVASDFMIITRA-OAQYLSRUSA-N 1 2 362.433 2.805 20 30 FFEDLO Cc1cc[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001097024169 1016914971 /nfs/dbraw/zinc/91/49/71/1016914971.db2.gz XYKXWHBCSYIHDM-NXHRZFHOSA-N 1 2 352.413 2.869 20 30 FFEDLO Cc1cc[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001097024169 1016914981 /nfs/dbraw/zinc/91/49/81/1016914981.db2.gz XYKXWHBCSYIHDM-NXHRZFHOSA-N 1 2 352.413 2.869 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3c2cc(F)cc3F)C[C@H]1O ZINC001195254788 1004924369 /nfs/dbraw/zinc/92/43/69/1004924369.db2.gz HODINKIRAVEHPL-FGTMMUONSA-N 1 2 364.436 2.716 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCc3c2cc(F)cc3F)C[C@H]1O ZINC001195254788 1004924373 /nfs/dbraw/zinc/92/43/73/1004924373.db2.gz HODINKIRAVEHPL-FGTMMUONSA-N 1 2 364.436 2.716 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)cc2F)C[C@H]1O ZINC001195337691 1004941394 /nfs/dbraw/zinc/94/13/94/1004941394.db2.gz FNRPTKNAAAIHDL-NIKGAXFTSA-N 1 2 364.436 2.771 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)cc2F)C[C@H]1O ZINC001195337691 1004941395 /nfs/dbraw/zinc/94/13/95/1004941395.db2.gz FNRPTKNAAAIHDL-NIKGAXFTSA-N 1 2 364.436 2.771 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc3ccccc3o2)C[C@H]1O ZINC001195337967 1004941949 /nfs/dbraw/zinc/94/19/49/1004941949.db2.gz HMZMOTZXFPKJSR-KBAYOESNSA-N 1 2 369.465 2.634 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc3ccccc3o2)C[C@H]1O ZINC001195337967 1004941952 /nfs/dbraw/zinc/94/19/52/1004941952.db2.gz HMZMOTZXFPKJSR-KBAYOESNSA-N 1 2 369.465 2.634 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2Cl)C[C@H]1O ZINC001195548610 1004989286 /nfs/dbraw/zinc/98/92/86/1004989286.db2.gz DKWUSXDITWRGSM-FVQBIDKESA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2Cl)C[C@H]1O ZINC001195548610 1004989288 /nfs/dbraw/zinc/98/92/88/1004989288.db2.gz DKWUSXDITWRGSM-FVQBIDKESA-N 1 2 366.889 2.612 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccc(Cl)c(F)c1)C[C@H](O)c1cccc(C#N)c1 ZINC001195876035 1005066716 /nfs/dbraw/zinc/06/67/16/1005066716.db2.gz FLFDBOIBATZWTH-KRWDZBQOSA-N 1 2 361.804 2.955 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccc(Cl)c(F)c1)C[C@H](O)c1cccc(C#N)c1 ZINC001195876035 1005066723 /nfs/dbraw/zinc/06/67/23/1005066723.db2.gz FLFDBOIBATZWTH-KRWDZBQOSA-N 1 2 361.804 2.955 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2Cl)C[C@H]1O ZINC001195924410 1005074660 /nfs/dbraw/zinc/07/46/60/1005074660.db2.gz VJMZXOMFWXYWPS-CLCXKQKWSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2Cl)C[C@H]1O ZINC001195924410 1005074664 /nfs/dbraw/zinc/07/46/64/1005074664.db2.gz VJMZXOMFWXYWPS-CLCXKQKWSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)nc1-c1ccco1)C2 ZINC001097053769 1016953813 /nfs/dbraw/zinc/95/38/13/1016953813.db2.gz AWSVLSHTHRNUFZ-YUELXQCFSA-N 1 2 360.845 2.768 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)nc1-c1ccco1)C2 ZINC001097053769 1016953824 /nfs/dbraw/zinc/95/38/24/1016953824.db2.gz AWSVLSHTHRNUFZ-YUELXQCFSA-N 1 2 360.845 2.768 20 30 FFEDLO C#C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[C@H]1CCCO1 ZINC000776230943 1005293368 /nfs/dbraw/zinc/29/33/68/1005293368.db2.gz MSYGRLCJRUBTCA-VNTMZGSJSA-N 1 2 364.449 2.592 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(C)nc3ccccc31)C2 ZINC001097061565 1016958367 /nfs/dbraw/zinc/95/83/67/1016958367.db2.gz OXNCYZSAUKFOAV-KYJSFNMBSA-N 1 2 358.873 2.819 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(C)nc3ccccc31)C2 ZINC001097061565 1016958381 /nfs/dbraw/zinc/95/83/81/1016958381.db2.gz OXNCYZSAUKFOAV-KYJSFNMBSA-N 1 2 358.873 2.819 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COc3cc(F)ccc3C1)C2 ZINC001097072188 1016980318 /nfs/dbraw/zinc/98/03/18/1016980318.db2.gz ZQVXBEZSHFGZMK-SVGFKBNWSA-N 1 2 364.848 2.851 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COc3cc(F)ccc3C1)C2 ZINC001097072188 1016980322 /nfs/dbraw/zinc/98/03/22/1016980322.db2.gz ZQVXBEZSHFGZMK-SVGFKBNWSA-N 1 2 364.848 2.851 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)c1ccco1 ZINC001110610580 1005670562 /nfs/dbraw/zinc/67/05/62/1005670562.db2.gz JGQDIJBJVGRZIR-HZMVEIRTSA-N 1 2 359.470 2.535 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)c1ccco1 ZINC001110610580 1005670564 /nfs/dbraw/zinc/67/05/64/1005670564.db2.gz JGQDIJBJVGRZIR-HZMVEIRTSA-N 1 2 359.470 2.535 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NCC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001490456029 1005731305 /nfs/dbraw/zinc/73/13/05/1005731305.db2.gz JGOBMVGLPRWCCY-JXXFODFXSA-N 1 2 360.502 2.545 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4ccsc4)no3)C[C@H]21 ZINC001187199482 1005959949 /nfs/dbraw/zinc/95/99/49/1005959949.db2.gz NPPKEOANZSNEFZ-DZGCQCFKSA-N 1 2 358.467 2.797 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4ccsc4)no3)C[C@H]21 ZINC001187199482 1005959952 /nfs/dbraw/zinc/95/99/52/1005959952.db2.gz NPPKEOANZSNEFZ-DZGCQCFKSA-N 1 2 358.467 2.797 20 30 FFEDLO C[C@H](c1ncccn1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC#Cc1ccccc1)C2 ZINC001111442595 1017022860 /nfs/dbraw/zinc/02/28/60/1017022860.db2.gz YSZFGNOIRTWQOT-AFYVEPGGSA-N 1 2 360.461 2.701 20 30 FFEDLO C[C@H](c1ncccn1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC#Cc1ccccc1)C2 ZINC001111442595 1017022873 /nfs/dbraw/zinc/02/28/73/1017022873.db2.gz YSZFGNOIRTWQOT-AFYVEPGGSA-N 1 2 360.461 2.701 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187569284 1006157774 /nfs/dbraw/zinc/15/77/74/1006157774.db2.gz DTMLKUSHQLDARB-FXAWDEMLSA-N 1 2 353.441 2.924 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187569284 1006157780 /nfs/dbraw/zinc/15/77/80/1006157780.db2.gz DTMLKUSHQLDARB-FXAWDEMLSA-N 1 2 353.441 2.924 20 30 FFEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000852751687 1006169191 /nfs/dbraw/zinc/16/91/91/1006169191.db2.gz DXMRHMKIPNTUHK-UHFFFAOYSA-N 1 2 373.478 2.729 20 30 FFEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000852751687 1006169195 /nfs/dbraw/zinc/16/91/95/1006169195.db2.gz DXMRHMKIPNTUHK-UHFFFAOYSA-N 1 2 373.478 2.729 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCC(C)(C)[C@H]1COCC12OCCO2 ZINC000853682594 1006502996 /nfs/dbraw/zinc/50/29/96/1006502996.db2.gz UIUXRKYWPYOZDL-QGZVFWFLSA-N 1 2 360.454 2.701 20 30 FFEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CC[C@](C)(C#N)C3)CC2)cc1 ZINC000853791576 1006537956 /nfs/dbraw/zinc/53/79/56/1006537956.db2.gz UFUXLOKIGDWUKH-HXUWFJFHSA-N 1 2 355.486 2.667 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000825550178 1006693567 /nfs/dbraw/zinc/69/35/67/1006693567.db2.gz ZCZMYWXEPFZYBV-SFHVURJKSA-N 1 2 371.481 2.967 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000825550178 1006693576 /nfs/dbraw/zinc/69/35/76/1006693576.db2.gz ZCZMYWXEPFZYBV-SFHVURJKSA-N 1 2 371.481 2.967 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nnc(CC)o3)C[C@H]21 ZINC001188793850 1006713852 /nfs/dbraw/zinc/71/38/52/1006713852.db2.gz LXNGMGMALTZDKA-YESZJQIVSA-N 1 2 358.486 2.809 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3nnc(CC)o3)C[C@H]21 ZINC001188793850 1006713866 /nfs/dbraw/zinc/71/38/66/1006713866.db2.gz LXNGMGMALTZDKA-YESZJQIVSA-N 1 2 358.486 2.809 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nc(C4CC4)no3)C[C@H]21 ZINC001188866812 1006756923 /nfs/dbraw/zinc/75/69/23/1006756923.db2.gz PFIRDUYEIAQGSU-HYVNUMGLSA-N 1 2 356.470 2.734 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nc(C4CC4)no3)C[C@H]21 ZINC001188866812 1006756935 /nfs/dbraw/zinc/75/69/35/1006756935.db2.gz PFIRDUYEIAQGSU-HYVNUMGLSA-N 1 2 356.470 2.734 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]3C[N@@H+](Cc4nnc(C)o4)C[C@H]32)CCCCC1 ZINC001189406797 1007068299 /nfs/dbraw/zinc/06/82/99/1007068299.db2.gz YUDBVJAYEZKMMZ-DLBZAZTESA-N 1 2 358.486 2.937 20 30 FFEDLO C=CC1(CC(=O)N2CC[C@H]3C[N@H+](Cc4nnc(C)o4)C[C@H]32)CCCCC1 ZINC001189406797 1007068311 /nfs/dbraw/zinc/06/83/11/1007068311.db2.gz YUDBVJAYEZKMMZ-DLBZAZTESA-N 1 2 358.486 2.937 20 30 FFEDLO C=CCOc1ccc(/C=C/C(=O)OCC[N@@H+]2CCO[C@H](C)C2)cc1OC ZINC000800080059 1007163655 /nfs/dbraw/zinc/16/36/55/1007163655.db2.gz PCNWRRICTICICE-IQIBNGDESA-N 1 2 361.438 2.537 20 30 FFEDLO C=CCOc1ccc(/C=C/C(=O)OCC[N@H+]2CCO[C@H](C)C2)cc1OC ZINC000800080059 1007163658 /nfs/dbraw/zinc/16/36/58/1007163658.db2.gz PCNWRRICTICICE-IQIBNGDESA-N 1 2 361.438 2.537 20 30 FFEDLO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)ccc1OC ZINC000113308904 1007319092 /nfs/dbraw/zinc/31/90/92/1007319092.db2.gz OAYGJSWRZSOHDJ-QFBILLFUSA-N 1 2 371.412 2.831 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(F)c2)[nH]1 ZINC001095328096 1007326749 /nfs/dbraw/zinc/32/67/49/1007326749.db2.gz UYZHSEJPPICXCE-BVGQSLNGSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(F)c2)[nH]1 ZINC001095328096 1007326763 /nfs/dbraw/zinc/32/67/63/1007326763.db2.gz UYZHSEJPPICXCE-BVGQSLNGSA-N 1 2 356.376 2.700 20 30 FFEDLO C[C@@H]1C[C@H](C)[N@H+](Cn2cccc(C#N)c2=O)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817376742 1007569677 /nfs/dbraw/zinc/56/96/77/1007569677.db2.gz CGROJSRUCROZMP-HLLBOEOZSA-N 1 2 374.485 2.549 20 30 FFEDLO C[C@@H]1C[C@H](C)[N@@H+](Cn2cccc(C#N)c2=O)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817376742 1007569682 /nfs/dbraw/zinc/56/96/82/1007569682.db2.gz CGROJSRUCROZMP-HLLBOEOZSA-N 1 2 374.485 2.549 20 30 FFEDLO C=C[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(C)o3)C[C@H]21)c1ccccc1 ZINC001190282750 1007570817 /nfs/dbraw/zinc/57/08/17/1007570817.db2.gz ULIKZXRZXXTMBN-YTQUADARSA-N 1 2 366.465 2.771 20 30 FFEDLO C=C[C@@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3nnc(C)o3)C[C@H]21)c1ccccc1 ZINC001190282750 1007570825 /nfs/dbraw/zinc/57/08/25/1007570825.db2.gz ULIKZXRZXXTMBN-YTQUADARSA-N 1 2 366.465 2.771 20 30 FFEDLO COC(=O)N1CCN(c2ccc(NCc3ccc(C#N)c(F)c3)c[nH+]2)CC1 ZINC000817409314 1007590874 /nfs/dbraw/zinc/59/08/74/1007590874.db2.gz IJIUGHIAXNTQTM-UHFFFAOYSA-N 1 2 369.400 2.593 20 30 FFEDLO N#CCCc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000885309738 1007685459 /nfs/dbraw/zinc/68/54/59/1007685459.db2.gz TVHJXICMTUNHOW-LJQANCHMSA-N 1 2 369.490 2.696 20 30 FFEDLO N#CCCc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000885309738 1007685467 /nfs/dbraw/zinc/68/54/67/1007685467.db2.gz TVHJXICMTUNHOW-LJQANCHMSA-N 1 2 369.490 2.696 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000819429579 1008148574 /nfs/dbraw/zinc/14/85/74/1008148574.db2.gz WKWGTQRBOITEOT-KRWDZBQOSA-N 1 2 374.872 2.932 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000819429579 1008148577 /nfs/dbraw/zinc/14/85/77/1008148577.db2.gz WKWGTQRBOITEOT-KRWDZBQOSA-N 1 2 374.872 2.932 20 30 FFEDLO C#CCCN(CCOC)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000820047148 1008281534 /nfs/dbraw/zinc/28/15/34/1008281534.db2.gz PGVCXOUODRMAET-ROUUACIJSA-N 1 2 373.497 2.799 20 30 FFEDLO CCOCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)CC1 ZINC001110740077 1008306657 /nfs/dbraw/zinc/30/66/57/1008306657.db2.gz VVKKEAAUPLROEG-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO CCOCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)CC1 ZINC001110740077 1008306658 /nfs/dbraw/zinc/30/66/58/1008306658.db2.gz VVKKEAAUPLROEG-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2F)C[C@H]1C ZINC001206479875 1032305950 /nfs/dbraw/zinc/30/59/50/1032305950.db2.gz YXEMFSNBWWAVJZ-HBUWYVDXSA-N 1 2 352.425 2.883 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)C[C@H]1C ZINC001206479875 1032305961 /nfs/dbraw/zinc/30/59/61/1032305961.db2.gz YXEMFSNBWWAVJZ-HBUWYVDXSA-N 1 2 352.425 2.883 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2nc(C)sc2C)C[C@H]1C ZINC001206486466 1032310473 /nfs/dbraw/zinc/31/04/73/1032310473.db2.gz XVBLFWAYDCBZCJ-DVOMOZLQSA-N 1 2 351.516 2.678 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)sc2C)C[C@H]1C ZINC001206486466 1032310485 /nfs/dbraw/zinc/31/04/85/1032310485.db2.gz XVBLFWAYDCBZCJ-DVOMOZLQSA-N 1 2 351.516 2.678 20 30 FFEDLO C#C[C@@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CCOCC1 ZINC000820973176 1008398154 /nfs/dbraw/zinc/39/81/54/1008398154.db2.gz GRRXEQAIXRGAFS-QGZVFWFLSA-N 1 2 368.437 2.512 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000859025595 1008466056 /nfs/dbraw/zinc/46/60/56/1008466056.db2.gz VSZOWGFETLKCGM-QUCCMNQESA-N 1 2 368.481 2.969 20 30 FFEDLO C#CC[C@@H](CCOC)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000859025593 1008466406 /nfs/dbraw/zinc/46/64/06/1008466406.db2.gz VSZOWGFETLKCGM-AZUAARDMSA-N 1 2 368.481 2.969 20 30 FFEDLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(C(=O)OC)c1C#N ZINC000859532128 1008549440 /nfs/dbraw/zinc/54/94/40/1008549440.db2.gz VGFKTOSIUOQIMD-UHFFFAOYSA-N 1 2 361.442 2.691 20 30 FFEDLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(C(=O)OC)c1C#N ZINC000859532128 1008549452 /nfs/dbraw/zinc/54/94/52/1008549452.db2.gz VGFKTOSIUOQIMD-UHFFFAOYSA-N 1 2 361.442 2.691 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(OC)nn2)CCCC1 ZINC001110212767 1008674770 /nfs/dbraw/zinc/67/47/70/1008674770.db2.gz NVAPTOQFIOENKA-SQNIBIBYSA-N 1 2 370.497 2.843 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(OC)nn2)CCCC1 ZINC001110212767 1008674780 /nfs/dbraw/zinc/67/47/80/1008674780.db2.gz NVAPTOQFIOENKA-SQNIBIBYSA-N 1 2 370.497 2.843 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2C)C[C@H]1C ZINC001206545607 1032338532 /nfs/dbraw/zinc/33/85/32/1032338532.db2.gz XQSXRNBMHFMMDK-RHSMWYFYSA-N 1 2 363.889 2.990 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2C)C[C@H]1C ZINC001206545607 1032338541 /nfs/dbraw/zinc/33/85/41/1032338541.db2.gz XQSXRNBMHFMMDK-RHSMWYFYSA-N 1 2 363.889 2.990 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@]3(C#N)CC34CCCC4)C2)c1 ZINC000826552026 1009075762 /nfs/dbraw/zinc/07/57/62/1009075762.db2.gz VHCWALRMWGZOGZ-DENIHFKCSA-N 1 2 367.493 2.786 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@]3(C#N)CC34CCCC4)C2)c1 ZINC000826552026 1009075773 /nfs/dbraw/zinc/07/57/73/1009075773.db2.gz VHCWALRMWGZOGZ-DENIHFKCSA-N 1 2 367.493 2.786 20 30 FFEDLO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001206662551 1032378679 /nfs/dbraw/zinc/37/86/79/1032378679.db2.gz NUGBIQNGRAZPAH-LZLYRXPVSA-N 1 2 370.497 2.653 20 30 FFEDLO Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001206662551 1032378688 /nfs/dbraw/zinc/37/86/88/1032378688.db2.gz NUGBIQNGRAZPAH-LZLYRXPVSA-N 1 2 370.497 2.653 20 30 FFEDLO Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001206663103 1032379486 /nfs/dbraw/zinc/37/94/86/1032379486.db2.gz YUHVUAWFUPSPRP-OUCADQQQSA-N 1 2 358.467 2.808 20 30 FFEDLO Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001206663103 1032379493 /nfs/dbraw/zinc/37/94/93/1032379493.db2.gz YUHVUAWFUPSPRP-OUCADQQQSA-N 1 2 358.467 2.808 20 30 FFEDLO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000823628659 1009145684 /nfs/dbraw/zinc/14/56/84/1009145684.db2.gz YBBHQEAIVSGGNJ-GOEBONIOSA-N 1 2 362.474 2.564 20 30 FFEDLO COc1cc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c(F)cc1C#N ZINC000861262960 1009322787 /nfs/dbraw/zinc/32/27/87/1009322787.db2.gz RLWBJFBUYFIFKQ-GFCCVEGCSA-N 1 2 357.389 2.851 20 30 FFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000861670287 1009504257 /nfs/dbraw/zinc/50/42/57/1009504257.db2.gz LHAFNNDUUSWTLC-YLJYHZDGSA-N 1 2 367.493 2.692 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2ccon2)C3)c(F)c1 ZINC001110808654 1009606372 /nfs/dbraw/zinc/60/63/72/1009606372.db2.gz NEZRLFDGZFDXQR-QRQLOZEOSA-N 1 2 368.412 2.540 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2ccon2)C3)c(F)c1 ZINC001110808654 1009606378 /nfs/dbraw/zinc/60/63/78/1009606378.db2.gz NEZRLFDGZFDXQR-QRQLOZEOSA-N 1 2 368.412 2.540 20 30 FFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1C#N ZINC001093053031 1009686942 /nfs/dbraw/zinc/68/69/42/1009686942.db2.gz OXHVSIFJYJCJDZ-JTYAGIKBSA-N 1 2 367.428 2.525 20 30 FFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1C#N ZINC001093053031 1009686950 /nfs/dbraw/zinc/68/69/50/1009686950.db2.gz OXHVSIFJYJCJDZ-JTYAGIKBSA-N 1 2 367.428 2.525 20 30 FFEDLO Cc1ccccc1-n1nccc1C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000862422120 1009834965 /nfs/dbraw/zinc/83/49/65/1009834965.db2.gz SIMLSZFUZROHJM-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)Cc1ccccc1C#N ZINC001181798884 1010250064 /nfs/dbraw/zinc/25/00/64/1010250064.db2.gz QXMYQJYNJZDSRN-UHFFFAOYSA-N 1 2 361.405 2.891 20 30 FFEDLO CC[C@H](C#N)C(=O)Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000863547221 1010251263 /nfs/dbraw/zinc/25/12/63/1010251263.db2.gz PSHJLOOQSSZFQK-CQSZACIVSA-N 1 2 373.457 2.627 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(CC(F)(F)F)n2)C[C@H]1C ZINC001206885068 1032479766 /nfs/dbraw/zinc/47/97/66/1032479766.db2.gz SOQYFEBVKLKOIY-GDBMZVCRSA-N 1 2 370.419 2.576 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(CC(F)(F)F)n2)C[C@H]1C ZINC001206885068 1032479769 /nfs/dbraw/zinc/47/97/69/1032479769.db2.gz SOQYFEBVKLKOIY-GDBMZVCRSA-N 1 2 370.419 2.576 20 30 FFEDLO C[C@@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)c1cccc(C#N)c1O ZINC000866354288 1010981696 /nfs/dbraw/zinc/98/16/96/1010981696.db2.gz MNACDHIAGQTQMM-WBVHZDCISA-N 1 2 365.433 2.594 20 30 FFEDLO N#Cc1ccccc1N1CCC(NC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000868123629 1011174438 /nfs/dbraw/zinc/17/44/38/1011174438.db2.gz GNQKSBBKORFIAJ-UHFFFAOYSA-N 1 2 366.469 2.503 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001110862202 1011263548 /nfs/dbraw/zinc/26/35/48/1011263548.db2.gz CKDITKFGUQHKTD-FTEYMNFISA-N 1 2 361.461 2.671 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001110862202 1011263562 /nfs/dbraw/zinc/26/35/62/1011263562.db2.gz CKDITKFGUQHKTD-FTEYMNFISA-N 1 2 361.461 2.671 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)C2)cc1 ZINC000868669620 1011411405 /nfs/dbraw/zinc/41/14/05/1011411405.db2.gz KSXNBZYXRCFBFE-IHPCNDPISA-N 1 2 370.497 2.577 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)C2)cc1 ZINC000868669620 1011411413 /nfs/dbraw/zinc/41/14/13/1011411413.db2.gz KSXNBZYXRCFBFE-IHPCNDPISA-N 1 2 370.497 2.577 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000869190809 1011658064 /nfs/dbraw/zinc/65/80/64/1011658064.db2.gz NLGDCMBVOPELNZ-LJQANCHMSA-N 1 2 365.481 2.906 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@@H]2C ZINC001172312838 1011743850 /nfs/dbraw/zinc/74/38/50/1011743850.db2.gz KBWHQTFXKVFIGC-HUUCEWRRSA-N 1 2 352.438 2.939 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@@H]2C ZINC001172312838 1011743866 /nfs/dbraw/zinc/74/38/66/1011743866.db2.gz KBWHQTFXKVFIGC-HUUCEWRRSA-N 1 2 352.438 2.939 20 30 FFEDLO N#Cc1cnc(Nc2ccc(C[NH+]3CC(O)C3)cc2)c(Br)c1 ZINC001212665285 1011849316 /nfs/dbraw/zinc/84/93/16/1011849316.db2.gz GLENGKZCYJGCCD-UHFFFAOYSA-N 1 2 359.227 2.636 20 30 FFEDLO C=CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3nc(C(F)(F)F)cs3)C2)C1=O ZINC001275206090 1012082653 /nfs/dbraw/zinc/08/26/53/1012082653.db2.gz CQTSAHSCESCHRM-OAHLLOKOSA-N 1 2 373.400 2.689 20 30 FFEDLO C=CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3nc(C(F)(F)F)cs3)C2)C1=O ZINC001275206090 1012082671 /nfs/dbraw/zinc/08/26/71/1012082671.db2.gz CQTSAHSCESCHRM-OAHLLOKOSA-N 1 2 373.400 2.689 20 30 FFEDLO NC(=NOC/C=C\c1ccccc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000208082343 1012287943 /nfs/dbraw/zinc/28/79/43/1012287943.db2.gz ITCXBODGINXYPR-UITAMQMPSA-N 1 2 351.450 2.869 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4cccs4)o3)[C@@H]2C1 ZINC001221990817 1032621196 /nfs/dbraw/zinc/62/11/96/1032621196.db2.gz YSWPTFIYCYPNGW-HZPDHXFCSA-N 1 2 370.474 2.804 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4cccs4)o3)[C@@H]2C1 ZINC001221990817 1032621206 /nfs/dbraw/zinc/62/12/06/1032621206.db2.gz YSWPTFIYCYPNGW-HZPDHXFCSA-N 1 2 370.474 2.804 20 30 FFEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)c(O)c(F)c1)CC2 ZINC001275426817 1012448025 /nfs/dbraw/zinc/44/80/25/1012448025.db2.gz ASTZZRRMBOUGAH-AWEZNQCLSA-N 1 2 363.408 2.692 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Cl)c(OC)c1F ZINC001275430559 1012449754 /nfs/dbraw/zinc/44/97/54/1012449754.db2.gz VVQILXPAIXRWDV-HUUCEWRRSA-N 1 2 350.821 2.686 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Cl)c(OC)c1F ZINC001275430559 1012449761 /nfs/dbraw/zinc/44/97/61/1012449761.db2.gz VVQILXPAIXRWDV-HUUCEWRRSA-N 1 2 350.821 2.686 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc([C@@H](C)CC)cc1)C2 ZINC001110169476 1012469668 /nfs/dbraw/zinc/46/96/68/1012469668.db2.gz RARZAZBZTIYPLF-LDTOTXGLSA-N 1 2 369.509 2.837 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc([C@@H](C)CC)cc1)C2 ZINC001110169476 1012469676 /nfs/dbraw/zinc/46/96/76/1012469676.db2.gz RARZAZBZTIYPLF-LDTOTXGLSA-N 1 2 369.509 2.837 20 30 FFEDLO CCCCCCOC(=O)C[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173429048 1012589799 /nfs/dbraw/zinc/58/97/99/1012589799.db2.gz ZUGKZFRUJPKKGQ-UHFFFAOYSA-N 1 2 371.481 2.876 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccnc(F)c2)C3)c1 ZINC001095226937 1012753781 /nfs/dbraw/zinc/75/37/81/1012753781.db2.gz HFEVYMAEXIFXLZ-NJAFHUGGSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccnc(F)c2)C3)c1 ZINC001095226937 1012753797 /nfs/dbraw/zinc/75/37/97/1012753797.db2.gz HFEVYMAEXIFXLZ-NJAFHUGGSA-N 1 2 368.387 2.767 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3Cl)C2)OCC1=O ZINC001275653801 1012767617 /nfs/dbraw/zinc/76/76/17/1012767617.db2.gz PENKLSIEQFDTMY-KRWDZBQOSA-N 1 2 355.265 2.983 20 30 FFEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3cccc(Cl)c3Cl)C2)OCC1=O ZINC001275653801 1012767635 /nfs/dbraw/zinc/76/76/35/1012767635.db2.gz PENKLSIEQFDTMY-KRWDZBQOSA-N 1 2 355.265 2.983 20 30 FFEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC001173661967 1012848316 /nfs/dbraw/zinc/84/83/16/1012848316.db2.gz BTNUCAVEGZUASD-KRWDZBQOSA-N 1 2 370.415 2.943 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccncc2F)C3)ccc1F ZINC001095261373 1012994662 /nfs/dbraw/zinc/99/46/62/1012994662.db2.gz RCILPVKKCKVHLL-CCKFTAQKSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccncc2F)C3)ccc1F ZINC001095261373 1012994676 /nfs/dbraw/zinc/99/46/76/1012994676.db2.gz RCILPVKKCKVHLL-CCKFTAQKSA-N 1 2 368.387 2.767 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(Br)cc2N)C1=O ZINC001275782863 1013002573 /nfs/dbraw/zinc/00/25/73/1013002573.db2.gz DBADYHYFWMPQAB-QGZVFWFLSA-N 1 2 364.287 2.784 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(Br)cc2N)C1=O ZINC001275782863 1013002587 /nfs/dbraw/zinc/00/25/87/1013002587.db2.gz DBADYHYFWMPQAB-QGZVFWFLSA-N 1 2 364.287 2.784 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2CCC2)C3)c1 ZINC001095269078 1013026077 /nfs/dbraw/zinc/02/60/77/1013026077.db2.gz FQAXRIWOLJCCCE-AABGKKOBSA-N 1 2 365.477 2.518 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2CCC2)C3)c1 ZINC001095269078 1013026094 /nfs/dbraw/zinc/02/60/94/1013026094.db2.gz FQAXRIWOLJCCCE-AABGKKOBSA-N 1 2 365.477 2.518 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cc(CC)[nH+]c(C)n2)cc1 ZINC001055165261 1017098782 /nfs/dbraw/zinc/09/87/82/1017098782.db2.gz ZHCXDXMQGZUDEN-AABGKKOBSA-N 1 2 360.461 2.868 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001055227529 1017183176 /nfs/dbraw/zinc/18/31/76/1017183176.db2.gz AYLRPNKNLIAPQO-ZBRFXRBCSA-N 1 2 370.497 2.555 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2cscn2)C3)c(F)c1 ZINC001097984222 1017215501 /nfs/dbraw/zinc/21/55/01/1017215501.db2.gz YORCTTJPUPWYBO-NXHRZFHOSA-N 1 2 370.453 2.618 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2cscn2)C3)c(F)c1 ZINC001097984222 1017215506 /nfs/dbraw/zinc/21/55/06/1017215506.db2.gz YORCTTJPUPWYBO-NXHRZFHOSA-N 1 2 370.453 2.618 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(OC)nc1C ZINC001110888409 1017221178 /nfs/dbraw/zinc/22/11/78/1017221178.db2.gz CIRGQUBWXXIVJI-ZACQAIPSSA-N 1 2 358.486 2.617 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(OC)nc1C ZINC001110888409 1017221186 /nfs/dbraw/zinc/22/11/86/1017221186.db2.gz CIRGQUBWXXIVJI-ZACQAIPSSA-N 1 2 358.486 2.617 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097256343 1017253827 /nfs/dbraw/zinc/25/38/27/1017253827.db2.gz SMURFSPTAHTDPR-SBUWESJJSA-N 1 2 353.466 2.595 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097256343 1017253835 /nfs/dbraw/zinc/25/38/35/1017253835.db2.gz SMURFSPTAHTDPR-SBUWESJJSA-N 1 2 353.466 2.595 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001055371001 1017367218 /nfs/dbraw/zinc/36/72/18/1017367218.db2.gz WNHKWHKXBZAAJF-NJYVYQBISA-N 1 2 374.488 2.797 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1Cc3ccccc3O1)C2 ZINC001097477312 1017523580 /nfs/dbraw/zinc/52/35/80/1017523580.db2.gz NHWMOJVASXIECE-JBPLPALLSA-N 1 2 373.456 2.783 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1Cc3ccccc3O1)C2 ZINC001097477312 1017523588 /nfs/dbraw/zinc/52/35/88/1017523588.db2.gz NHWMOJVASXIECE-JBPLPALLSA-N 1 2 373.456 2.783 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001057812754 1017614171 /nfs/dbraw/zinc/61/41/71/1017614171.db2.gz ARBSYOBVLJTVNQ-MSOLQXFVSA-N 1 2 370.497 2.586 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001097568629 1017638099 /nfs/dbraw/zinc/63/80/99/1017638099.db2.gz SWQRCHSHZZHIHZ-ZJXIFLPPSA-N 1 2 371.456 2.734 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001097568629 1017638107 /nfs/dbraw/zinc/63/81/07/1017638107.db2.gz SWQRCHSHZZHIHZ-ZJXIFLPPSA-N 1 2 371.456 2.734 20 30 FFEDLO CCc1nc(CN2CCC[C@@H]([NH2+][C@H](CC)c3cccc(C#N)c3O)C2)no1 ZINC000925704349 1017820493 /nfs/dbraw/zinc/82/04/93/1017820493.db2.gz GKKNSVYSDIXSGH-NVXWUHKLSA-N 1 2 369.469 2.915 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CCCCC2)CC1 ZINC001097789430 1017961643 /nfs/dbraw/zinc/96/16/43/1017961643.db2.gz QFDSGJFEJKXZKE-AQNXPRMDSA-N 1 2 373.541 2.903 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CCCCC2)CC1 ZINC001097789430 1017961653 /nfs/dbraw/zinc/96/16/53/1017961653.db2.gz QFDSGJFEJKXZKE-AQNXPRMDSA-N 1 2 373.541 2.903 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cc(C)ncn2)C1 ZINC001052750114 1018081571 /nfs/dbraw/zinc/08/15/71/1018081571.db2.gz GOCXOBRFYWMNRT-JXXFODFXSA-N 1 2 368.485 2.527 20 30 FFEDLO CC[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1cccc(C#N)c1O ZINC000926773176 1018244859 /nfs/dbraw/zinc/24/48/59/1018244859.db2.gz UVNQSJNHJOCXFP-AZUAARDMSA-N 1 2 366.465 2.601 20 30 FFEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)CCO2 ZINC001053423397 1018296247 /nfs/dbraw/zinc/29/62/47/1018296247.db2.gz GFZSTEHCBAQCAK-HUUCEWRRSA-N 1 2 362.420 2.558 20 30 FFEDLO C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CCNc2ccc(C#N)nc2)C1)n1cc[nH+]c1 ZINC001053533735 1018353566 /nfs/dbraw/zinc/35/35/66/1018353566.db2.gz LISYEGWEORVNTE-IXDOHACOSA-N 1 2 366.469 2.698 20 30 FFEDLO N#Cc1cccc(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)c1[N+](=O)[O-] ZINC000827505982 1018357748 /nfs/dbraw/zinc/35/77/48/1018357748.db2.gz IXGCKRGSGOQXLN-UHFFFAOYSA-N 1 2 365.393 2.912 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001058254635 1018688450 /nfs/dbraw/zinc/68/84/50/1018688450.db2.gz MWZZOGHPDGUECH-LNLFQRSKSA-N 1 2 370.497 2.729 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001058256005 1018690698 /nfs/dbraw/zinc/69/06/98/1018690698.db2.gz JKQJQSHUQCRSAZ-KURKYZTESA-N 1 2 370.497 2.729 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1ccco1 ZINC001110934789 1018710487 /nfs/dbraw/zinc/71/04/87/1018710487.db2.gz NJBARCPUIVUAMG-ISARSNTHSA-N 1 2 373.497 2.562 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1ccco1 ZINC001110934789 1018710497 /nfs/dbraw/zinc/71/04/97/1018710497.db2.gz NJBARCPUIVUAMG-ISARSNTHSA-N 1 2 373.497 2.562 20 30 FFEDLO CCC[C@@H](C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001217580142 1032791972 /nfs/dbraw/zinc/79/19/72/1032791972.db2.gz VHFQWAKZSUXIRU-MDASCCDHSA-N 1 2 359.445 2.545 20 30 FFEDLO CCC[C@@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001217580142 1032791981 /nfs/dbraw/zinc/79/19/81/1032791981.db2.gz VHFQWAKZSUXIRU-MDASCCDHSA-N 1 2 359.445 2.545 20 30 FFEDLO CCC[C@@H](C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001217580085 1032792102 /nfs/dbraw/zinc/79/21/02/1032792102.db2.gz UNLJNAUPQDFUHZ-MDASCCDHSA-N 1 2 359.445 2.545 20 30 FFEDLO CCC[C@@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001217580085 1032792115 /nfs/dbraw/zinc/79/21/15/1032792115.db2.gz UNLJNAUPQDFUHZ-MDASCCDHSA-N 1 2 359.445 2.545 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cccc3)nc1)C2 ZINC001098076916 1019334342 /nfs/dbraw/zinc/33/43/42/1019334342.db2.gz BDZUBHFQIMSFRU-ZACQAIPSSA-N 1 2 356.857 2.960 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cccc3)nc1)C2 ZINC001098076916 1019334359 /nfs/dbraw/zinc/33/43/59/1019334359.db2.gz BDZUBHFQIMSFRU-ZACQAIPSSA-N 1 2 356.857 2.960 20 30 FFEDLO COC1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CC1 ZINC001095941369 1019366163 /nfs/dbraw/zinc/36/61/63/1019366163.db2.gz XELXJLBFBBCMSI-IHOXBDDOSA-N 1 2 367.493 2.985 20 30 FFEDLO COC1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CC1 ZINC001095941369 1019366180 /nfs/dbraw/zinc/36/61/80/1019366180.db2.gz XELXJLBFBBCMSI-IHOXBDDOSA-N 1 2 367.493 2.985 20 30 FFEDLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)CCCOC1 ZINC001096252730 1019625992 /nfs/dbraw/zinc/62/59/92/1019625992.db2.gz WNXOXUJEFCVJNC-BOFXEDATSA-N 1 2 371.456 2.736 20 30 FFEDLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)CCCOC1 ZINC001096252730 1019626004 /nfs/dbraw/zinc/62/60/04/1019626004.db2.gz WNXOXUJEFCVJNC-BOFXEDATSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)CC[C@H](O)c3ccccc3)CCO2)c1 ZINC000930136181 1019888533 /nfs/dbraw/zinc/88/85/33/1019888533.db2.gz RWOXFBMLHAMYGV-FKBYEOEOSA-N 1 2 366.461 2.806 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)CC[C@H](O)c3ccccc3)CCO2)c1 ZINC000930136181 1019888548 /nfs/dbraw/zinc/88/85/48/1019888548.db2.gz RWOXFBMLHAMYGV-FKBYEOEOSA-N 1 2 366.461 2.806 20 30 FFEDLO CCOC(=O)c1cnc(N=NCc2c[nH+]c(C)n2-c2ccccc2)nc1C ZINC000777887823 1019962625 /nfs/dbraw/zinc/96/26/25/1019962625.db2.gz ISQOYDHPTNCCRJ-UHFFFAOYSA-N 1 2 364.409 2.902 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(CC)CC)CC1 ZINC001110988974 1020019257 /nfs/dbraw/zinc/01/92/57/1020019257.db2.gz BCTFULYWFUPPME-KURKYZTESA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(CC)CC)CC1 ZINC001110988974 1020019268 /nfs/dbraw/zinc/01/92/68/1020019268.db2.gz BCTFULYWFUPPME-KURKYZTESA-N 1 2 361.530 2.759 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001045564129 1020031101 /nfs/dbraw/zinc/03/11/01/1020031101.db2.gz WJBCYZHKNPFLIJ-SJORKVTESA-N 1 2 359.470 2.614 20 30 FFEDLO C[C@H](CC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(C#N)nc1)n1cc[nH+]c1 ZINC001048363414 1020161398 /nfs/dbraw/zinc/16/13/98/1020161398.db2.gz ASNXSLLPMWVAQB-MDZRGWNJSA-N 1 2 366.469 2.840 20 30 FFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(C#N)cn1 ZINC001048376541 1020180488 /nfs/dbraw/zinc/18/04/88/1020180488.db2.gz SVCOPTFRYIRLPZ-VKJFTORMSA-N 1 2 366.469 2.594 20 30 FFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(C#N)cn1 ZINC001048376541 1020180492 /nfs/dbraw/zinc/18/04/92/1020180492.db2.gz SVCOPTFRYIRLPZ-VKJFTORMSA-N 1 2 366.469 2.594 20 30 FFEDLO CCO[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001222313451 1032883253 /nfs/dbraw/zinc/88/32/53/1032883253.db2.gz FZYTVJZPKMYCCU-CLCXKQKWSA-N 1 2 359.445 2.545 20 30 FFEDLO CCO[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001222313451 1032883263 /nfs/dbraw/zinc/88/32/63/1032883263.db2.gz FZYTVJZPKMYCCU-CLCXKQKWSA-N 1 2 359.445 2.545 20 30 FFEDLO CC(C)(C)OC(=O)N1CCn2cc(C[N@@H+]3CCC[C@H](CC#N)C3)nc2C1 ZINC001137518650 1020237292 /nfs/dbraw/zinc/23/72/92/1020237292.db2.gz VWQOTHUYCXAQBN-OAHLLOKOSA-N 1 2 359.474 2.759 20 30 FFEDLO CC(C)(C)OC(=O)N1CCn2cc(C[N@H+]3CCC[C@H](CC#N)C3)nc2C1 ZINC001137518650 1020237299 /nfs/dbraw/zinc/23/72/99/1020237299.db2.gz VWQOTHUYCXAQBN-OAHLLOKOSA-N 1 2 359.474 2.759 20 30 FFEDLO Cc1cc(Cl)ccc1C[N@H+]1C[C@H]2OCCN(C(=O)C#CC(C)C)[C@H]2C1 ZINC001217843543 1032885900 /nfs/dbraw/zinc/88/59/00/1032885900.db2.gz BIWYYEUAJLIXEA-RBUKOAKNSA-N 1 2 360.885 2.719 20 30 FFEDLO Cc1cc(Cl)ccc1C[N@@H+]1C[C@H]2OCCN(C(=O)C#CC(C)C)[C@H]2C1 ZINC001217843543 1032885918 /nfs/dbraw/zinc/88/59/18/1032885918.db2.gz BIWYYEUAJLIXEA-RBUKOAKNSA-N 1 2 360.885 2.719 20 30 FFEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)NC(C2CC2)(C2CC2)C1=O ZINC000725769018 1020255132 /nfs/dbraw/zinc/25/51/32/1020255132.db2.gz SNHADHAWQWUNBT-UHFFFAOYSA-N 1 2 366.465 2.838 20 30 FFEDLO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)NC(C2CC2)(C2CC2)C1=O ZINC000725769018 1020255138 /nfs/dbraw/zinc/25/51/38/1020255138.db2.gz SNHADHAWQWUNBT-UHFFFAOYSA-N 1 2 366.465 2.838 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccon1 ZINC001045861667 1020261502 /nfs/dbraw/zinc/26/15/02/1020261502.db2.gz ZLTQDCOKZPAKMS-XWSJACJDSA-N 1 2 359.470 2.611 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccon1 ZINC001045861667 1020261512 /nfs/dbraw/zinc/26/15/12/1020261512.db2.gz ZLTQDCOKZPAKMS-XWSJACJDSA-N 1 2 359.470 2.611 20 30 FFEDLO CCc1ncc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)o1 ZINC000930992625 1020273727 /nfs/dbraw/zinc/27/37/27/1020273727.db2.gz AOYVPNDGVIYBNF-UHFFFAOYSA-N 1 2 362.437 2.821 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C3CC3)n[nH]1)C2 ZINC001096054731 1020321240 /nfs/dbraw/zinc/32/12/40/1020321240.db2.gz JGJQVFCLZRGXHC-KPFFTGBYSA-N 1 2 361.449 2.694 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C3CC3)n[nH]1)C2 ZINC001096054731 1020321247 /nfs/dbraw/zinc/32/12/47/1020321247.db2.gz JGJQVFCLZRGXHC-KPFFTGBYSA-N 1 2 361.449 2.694 20 30 FFEDLO O=C1C=C(c2ccc(Cl)cc2)CN1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902608584 1020334876 /nfs/dbraw/zinc/33/48/76/1020334876.db2.gz LXOZXAQJKDUVOZ-UHFFFAOYSA-N 1 2 372.852 2.861 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001073123920 1020380314 /nfs/dbraw/zinc/38/03/14/1020380314.db2.gz PCRUIURBJNUDHY-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001073123920 1020380323 /nfs/dbraw/zinc/38/03/23/1020380323.db2.gz PCRUIURBJNUDHY-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCO[C@@H](CNC(=O)[C@]34C[C@H]3CCC4)C2)c(F)c1 ZINC001073706050 1020606918 /nfs/dbraw/zinc/60/69/18/1020606918.db2.gz GQBMRHOZWNDJJA-LVCYWYKZSA-N 1 2 371.456 2.595 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCO[C@@H](CNC(=O)[C@]34C[C@H]3CCC4)C2)c(F)c1 ZINC001073706050 1020606929 /nfs/dbraw/zinc/60/69/29/1020606929.db2.gz GQBMRHOZWNDJJA-LVCYWYKZSA-N 1 2 371.456 2.595 20 30 FFEDLO Cc1nc([C@@H]2CC[N@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)no1 ZINC000931953090 1020645039 /nfs/dbraw/zinc/64/50/39/1020645039.db2.gz NMNWCKUWLDSYOX-CQSZACIVSA-N 1 2 373.844 2.768 20 30 FFEDLO Cc1nc([C@@H]2CC[N@@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)no1 ZINC000931953090 1020645044 /nfs/dbraw/zinc/64/50/44/1020645044.db2.gz NMNWCKUWLDSYOX-CQSZACIVSA-N 1 2 373.844 2.768 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cnn(CC2CC2)c1 ZINC001098171964 1020706226 /nfs/dbraw/zinc/70/62/26/1020706226.db2.gz MIMBWUAPDOHNKK-VSKRKVRLSA-N 1 2 374.488 2.680 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cnn(CC2CC2)c1 ZINC001098171964 1020706231 /nfs/dbraw/zinc/70/62/31/1020706231.db2.gz MIMBWUAPDOHNKK-VSKRKVRLSA-N 1 2 374.488 2.680 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c([nH]1)CCC3)C2 ZINC001098200646 1020724645 /nfs/dbraw/zinc/72/46/45/1020724645.db2.gz BRWFBRIVRJDUTE-QFUCXCTJSA-N 1 2 360.461 2.910 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c([nH]1)CCC3)C2 ZINC001098200646 1020724653 /nfs/dbraw/zinc/72/46/53/1020724653.db2.gz BRWFBRIVRJDUTE-QFUCXCTJSA-N 1 2 360.461 2.910 20 30 FFEDLO C[C@@H]([NH2+][C@@H](c1ncccn1)C1CC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000932357716 1020780202 /nfs/dbraw/zinc/78/02/02/1020780202.db2.gz GCXPIXDXSGBTQQ-BDJLRTHQSA-N 1 2 367.478 2.966 20 30 FFEDLO CCc1ncncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001098419184 1020891081 /nfs/dbraw/zinc/89/10/81/1020891081.db2.gz FHMLMPOFEMRYJB-PJSAGSTRSA-N 1 2 367.478 2.507 20 30 FFEDLO CCc1ncncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001098419184 1020891087 /nfs/dbraw/zinc/89/10/87/1020891087.db2.gz FHMLMPOFEMRYJB-PJSAGSTRSA-N 1 2 367.478 2.507 20 30 FFEDLO N#CC[C@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C(F)(F)F ZINC000932903460 1020921564 /nfs/dbraw/zinc/92/15/64/1020921564.db2.gz KTODDARQABHBTR-AWEZNQCLSA-N 1 2 369.391 2.953 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1C(=O)Nc3ccccc31)C2 ZINC001098490034 1020962235 /nfs/dbraw/zinc/96/22/35/1020962235.db2.gz XKKRVQAYMDQDQE-WNOSKKOXSA-N 1 2 359.857 2.586 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1C(=O)Nc3ccccc31)C2 ZINC001098490034 1020962238 /nfs/dbraw/zinc/96/22/38/1020962238.db2.gz XKKRVQAYMDQDQE-WNOSKKOXSA-N 1 2 359.857 2.586 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C1CCOCC1 ZINC001098528275 1020985637 /nfs/dbraw/zinc/98/56/37/1020985637.db2.gz WSIPSEWQRCPBBX-NOOVBMIQSA-N 1 2 367.493 2.842 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C1CCOCC1 ZINC001098528275 1020985644 /nfs/dbraw/zinc/98/56/44/1020985644.db2.gz WSIPSEWQRCPBBX-NOOVBMIQSA-N 1 2 367.493 2.842 20 30 FFEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)nc1-c1cccnc1 ZINC000749806486 1021039536 /nfs/dbraw/zinc/03/95/36/1021039536.db2.gz MXFGREOKGIFVDX-IRXDYDNUSA-N 1 2 371.510 2.978 20 30 FFEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)nc1-c1cccnc1 ZINC000749806486 1021039540 /nfs/dbraw/zinc/03/95/40/1021039540.db2.gz MXFGREOKGIFVDX-IRXDYDNUSA-N 1 2 371.510 2.978 20 30 FFEDLO O=C(N[C@]12CCC[C@H]1C[N@@H+](CC#Cc1ccccc1Cl)C2)c1ncc[nH]1 ZINC001098828484 1021199395 /nfs/dbraw/zinc/19/93/95/1021199395.db2.gz YWTXGYFAODCFDO-JXFKEZNVSA-N 1 2 368.868 2.699 20 30 FFEDLO O=C(N[C@]12CCC[C@H]1C[N@H+](CC#Cc1ccccc1Cl)C2)c1ncc[nH]1 ZINC001098828484 1021199403 /nfs/dbraw/zinc/19/94/03/1021199403.db2.gz YWTXGYFAODCFDO-JXFKEZNVSA-N 1 2 368.868 2.699 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)nn1 ZINC000934732969 1021375155 /nfs/dbraw/zinc/37/51/55/1021375155.db2.gz HFIYOUWNXDFXKW-IBGZPJMESA-N 1 2 361.490 2.830 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)nn1 ZINC000934732969 1021375171 /nfs/dbraw/zinc/37/51/71/1021375171.db2.gz HFIYOUWNXDFXKW-IBGZPJMESA-N 1 2 361.490 2.830 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001098929149 1021429498 /nfs/dbraw/zinc/42/94/98/1021429498.db2.gz JIJKTBAVHBAMEF-XOBRGWDASA-N 1 2 371.868 2.865 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001098929149 1021429510 /nfs/dbraw/zinc/42/95/10/1021429510.db2.gz JIJKTBAVHBAMEF-XOBRGWDASA-N 1 2 371.868 2.865 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2csc(C)n2)C1 ZINC001098993562 1021548534 /nfs/dbraw/zinc/54/85/34/1021548534.db2.gz JXMYNKMLLQIHCN-WFASDCNBSA-N 1 2 370.316 2.944 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2csc(C)n2)C1 ZINC001098993562 1021548543 /nfs/dbraw/zinc/54/85/43/1021548543.db2.gz JXMYNKMLLQIHCN-WFASDCNBSA-N 1 2 370.316 2.944 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC001117865561 1021951000 /nfs/dbraw/zinc/95/10/00/1021951000.db2.gz DZICVECKPRLXTB-HNNXBMFYSA-N 1 2 355.417 2.595 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C2CC3(CC3(F)F)C2)CC1=O ZINC001118412921 1022222987 /nfs/dbraw/zinc/22/29/87/1022222987.db2.gz MZCBBQZELBUWCA-UHFFFAOYSA-N 1 2 358.392 2.834 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(Cc2ccc(F)cc2)CC1=O ZINC000119252520 1022557826 /nfs/dbraw/zinc/55/78/26/1022557826.db2.gz DGWGYMZCEYPZLX-UHFFFAOYSA-N 1 2 350.397 2.985 20 30 FFEDLO C#CCN(Cc1ccc(F)cn1)C1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC001119265447 1022643629 /nfs/dbraw/zinc/64/36/29/1022643629.db2.gz DPDWLMYGVFJZKQ-UHFFFAOYSA-N 1 2 356.420 2.855 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C(C)C)n1 ZINC001038808829 1022717946 /nfs/dbraw/zinc/71/79/46/1022717946.db2.gz UJXVHZKLRRUXOI-HBFSDRIKSA-N 1 2 357.498 2.877 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C(C)C)n1 ZINC001038808829 1022717963 /nfs/dbraw/zinc/71/79/63/1022717963.db2.gz UJXVHZKLRRUXOI-HBFSDRIKSA-N 1 2 357.498 2.877 20 30 FFEDLO C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000779094856 1022789369 /nfs/dbraw/zinc/78/93/69/1022789369.db2.gz FVIBYRWTWBULJA-BIENSFFJSA-N 1 2 353.422 2.601 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC001039943274 1022795609 /nfs/dbraw/zinc/79/56/09/1022795609.db2.gz RSCORNYUSKKVJF-YRPNKDGESA-N 1 2 355.482 2.628 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC001039943274 1022795623 /nfs/dbraw/zinc/79/56/23/1022795623.db2.gz RSCORNYUSKKVJF-YRPNKDGESA-N 1 2 355.482 2.628 20 30 FFEDLO C=C1CCC(CNC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC001119820704 1023114345 /nfs/dbraw/zinc/11/43/45/1023114345.db2.gz WBGVXVPBSRQVHL-LJQANCHMSA-N 1 2 366.465 2.603 20 30 FFEDLO C=CC[C@@H]1N(c2nnc(Cc3[nH+]ccn3C)n2CCOC)CCCC1(C)C ZINC001122357642 1023214467 /nfs/dbraw/zinc/21/44/67/1023214467.db2.gz HVPHTSHUBUOAJM-INIZCTEOSA-N 1 2 372.517 2.820 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@@H]3CCCC[C@@H]3C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001122396101 1023241277 /nfs/dbraw/zinc/24/12/77/1023241277.db2.gz WXNFAUBAOKYFHP-TWFHAPMSSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@@H]3CCCC[C@@H]3C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001122396101 1023241286 /nfs/dbraw/zinc/24/12/86/1023241286.db2.gz WXNFAUBAOKYFHP-TWFHAPMSSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC(OCC2CC2)CC1 ZINC001122398642 1023244406 /nfs/dbraw/zinc/24/44/06/1023244406.db2.gz YKYSRWVCSHRUPK-UHFFFAOYSA-N 1 2 359.518 2.845 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001122441455 1023270208 /nfs/dbraw/zinc/27/02/08/1023270208.db2.gz SHOSXQSUXVYMHX-MSOLQXFVSA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001122441455 1023270219 /nfs/dbraw/zinc/27/02/19/1023270219.db2.gz SHOSXQSUXVYMHX-MSOLQXFVSA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](c2noc(C)n2)C1 ZINC001122536583 1023326441 /nfs/dbraw/zinc/32/64/41/1023326441.db2.gz HKWSBFKEOMSHAC-CVEARBPZSA-N 1 2 371.489 2.696 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](c2noc(C)n2)C1 ZINC001122536583 1023326445 /nfs/dbraw/zinc/32/64/45/1023326445.db2.gz HKWSBFKEOMSHAC-CVEARBPZSA-N 1 2 371.489 2.696 20 30 FFEDLO CCOCCCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001122607427 1023365279 /nfs/dbraw/zinc/36/52/79/1023365279.db2.gz WEQIDBQAROADDD-LPHOPBHVSA-N 1 2 360.506 2.601 20 30 FFEDLO CCOCCCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001122607427 1023365287 /nfs/dbraw/zinc/36/52/87/1023365287.db2.gz WEQIDBQAROADDD-LPHOPBHVSA-N 1 2 360.506 2.601 20 30 FFEDLO COc1ccc(C2N=NC(=S)N2N=C2C[C@@H](C)[N@@H+](C3CC3)C2)cc1OC ZINC000753954733 1023406109 /nfs/dbraw/zinc/40/61/09/1023406109.db2.gz GXFHTCGMXMRHQU-LLVKDONJSA-N 1 2 373.482 2.712 20 30 FFEDLO COc1ccc(C2N=NC(=S)N2N=C2C[C@@H](C)[N@H+](C3CC3)C2)cc1OC ZINC000753954733 1023406111 /nfs/dbraw/zinc/40/61/11/1023406111.db2.gz GXFHTCGMXMRHQU-LLVKDONJSA-N 1 2 373.482 2.712 20 30 FFEDLO C=CC1CCN(c2nnc(C[NH+]3CCC(CO)CC3)n2CC(C)C)CC1 ZINC001122716305 1023431015 /nfs/dbraw/zinc/43/10/15/1023431015.db2.gz RZXYFPWOQXOZRT-UHFFFAOYSA-N 1 2 361.534 2.541 20 30 FFEDLO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(Cl)cc(F)c3O)C2=O)cc1 ZINC000754154366 1023433086 /nfs/dbraw/zinc/43/30/86/1023433086.db2.gz MVQJNWCDUUBRHK-KRWDZBQOSA-N 1 2 373.815 2.947 20 30 FFEDLO N#Cc1cc(Cl)nc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1 ZINC001120862543 1023500316 /nfs/dbraw/zinc/50/03/16/1023500316.db2.gz RJENJUFVBUKDLE-SJORKVTESA-N 1 2 354.841 2.696 20 30 FFEDLO N#Cc1cc(Cl)nc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1 ZINC001120862543 1023500322 /nfs/dbraw/zinc/50/03/22/1023500322.db2.gz RJENJUFVBUKDLE-SJORKVTESA-N 1 2 354.841 2.696 20 30 FFEDLO C=CCN(C)c1nnc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1Cc1cccs1 ZINC001123041305 1023606901 /nfs/dbraw/zinc/60/69/01/1023606901.db2.gz MSUBTJJGUUPZRY-RDJZCZTQSA-N 1 2 373.526 2.936 20 30 FFEDLO C=CCN(C)c1nnc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1Cc1cccs1 ZINC001123041305 1023606906 /nfs/dbraw/zinc/60/69/06/1023606906.db2.gz MSUBTJJGUUPZRY-RDJZCZTQSA-N 1 2 373.526 2.936 20 30 FFEDLO C=C(C)c1cccc(NC(=O)C(=O)N2CCC(c3c[nH+]cn3C)CC2)c1 ZINC001121116148 1023610893 /nfs/dbraw/zinc/61/08/93/1023610893.db2.gz YITMQKNDNMVCTE-UHFFFAOYSA-N 1 2 352.438 2.798 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001100740926 1023673683 /nfs/dbraw/zinc/67/36/83/1023673683.db2.gz XTHCPJWXQQOTLN-WMZOPIPTSA-N 1 2 358.486 2.586 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1CC[C@H]2CC[N@H+](Cc3cscn3)[C@H]2C1)OCC ZINC001222799624 1033162406 /nfs/dbraw/zinc/16/24/06/1033162406.db2.gz MWYTYWPAMPNKKV-NJAFHUGGSA-N 1 2 363.527 2.937 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1CC[C@H]2CC[N@@H+](Cc3cscn3)[C@H]2C1)OCC ZINC001222799624 1033162415 /nfs/dbraw/zinc/16/24/15/1033162415.db2.gz MWYTYWPAMPNKKV-NJAFHUGGSA-N 1 2 363.527 2.937 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@@H](C2CCC2)C1 ZINC001121533063 1023831874 /nfs/dbraw/zinc/83/18/74/1023831874.db2.gz OUNKPNHHNOYEDB-LJQANCHMSA-N 1 2 373.545 2.685 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C[C@H](C)O)C1CC1 ZINC001121591179 1023868467 /nfs/dbraw/zinc/86/84/67/1023868467.db2.gz WDWZAHUTPJUJKV-DOTOQJQBSA-N 1 2 358.490 2.646 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@@H]1CCc2ccccc2C1 ZINC001121619793 1023885029 /nfs/dbraw/zinc/88/50/29/1023885029.db2.gz CMQXNCMSQCXOSO-GOSISDBHSA-N 1 2 362.481 2.782 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCOCC2(CC2)C1 ZINC001121691157 1023929350 /nfs/dbraw/zinc/92/93/50/1023929350.db2.gz UYQNXQDSGISOSN-QGZVFWFLSA-N 1 2 370.501 2.913 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C1CCCC1 ZINC001111332141 1023951801 /nfs/dbraw/zinc/95/18/01/1023951801.db2.gz RMHMXJFZILKXFZ-CGXNFDGLSA-N 1 2 367.493 2.985 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C1CCCC1 ZINC001111332141 1023951807 /nfs/dbraw/zinc/95/18/07/1023951807.db2.gz RMHMXJFZILKXFZ-CGXNFDGLSA-N 1 2 367.493 2.985 20 30 FFEDLO CCc1nc2ccccc2n1C1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758246528 1023994417 /nfs/dbraw/zinc/99/44/17/1023994417.db2.gz AIEPEDHKIMOVPR-UHFFFAOYSA-N 1 2 361.449 2.927 20 30 FFEDLO C=C/C(C)=C\CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001218490829 1033179150 /nfs/dbraw/zinc/17/91/50/1033179150.db2.gz WSECQIJHFKYLGA-XCCFJYDQSA-N 1 2 368.452 2.611 20 30 FFEDLO C=C/C(C)=C\CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001218490829 1033179158 /nfs/dbraw/zinc/17/91/58/1033179158.db2.gz WSECQIJHFKYLGA-XCCFJYDQSA-N 1 2 368.452 2.611 20 30 FFEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc(C5CC5)o4)[C@H]3C2)CCC1 ZINC001222877487 1033187454 /nfs/dbraw/zinc/18/74/54/1033187454.db2.gz VAFKQNDIXLLJAW-WBVHZDCISA-N 1 2 368.481 2.563 20 30 FFEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(C5CC5)o4)[C@H]3C2)CCC1 ZINC001222877487 1033187465 /nfs/dbraw/zinc/18/74/65/1033187465.db2.gz VAFKQNDIXLLJAW-WBVHZDCISA-N 1 2 368.481 2.563 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101251954 1024196628 /nfs/dbraw/zinc/19/66/28/1024196628.db2.gz SWXWDUFAUKFQCY-QRWLVFNGSA-N 1 2 359.518 2.811 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101251954 1024196638 /nfs/dbraw/zinc/19/66/38/1024196638.db2.gz SWXWDUFAUKFQCY-QRWLVFNGSA-N 1 2 359.518 2.811 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C)n3CCC)C[C@@]2(C)C1 ZINC001101253593 1024206967 /nfs/dbraw/zinc/20/69/67/1024206967.db2.gz RZIFDPNQZRNZNW-XLIONFOSSA-N 1 2 359.518 2.633 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C)n3CCC)C[C@@]2(C)C1 ZINC001101253593 1024206977 /nfs/dbraw/zinc/20/69/77/1024206977.db2.gz RZIFDPNQZRNZNW-XLIONFOSSA-N 1 2 359.518 2.633 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CCC4)no3)C[C@@]2(C)C1 ZINC001101254511 1024210796 /nfs/dbraw/zinc/21/07/96/1024210796.db2.gz VLMNFLRUYAHNGE-UZLBHIALSA-N 1 2 358.486 2.974 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CCC4)no3)C[C@@]2(C)C1 ZINC001101254511 1024210813 /nfs/dbraw/zinc/21/08/13/1024210813.db2.gz VLMNFLRUYAHNGE-UZLBHIALSA-N 1 2 358.486 2.974 20 30 FFEDLO C#CCCN(CCOC)c1nnc([C@@H]2CCC[N@@H+]2C)n1Cc1ccccc1 ZINC001122155401 1024391057 /nfs/dbraw/zinc/39/10/57/1024391057.db2.gz ISITYFXCLHHHLE-IBGZPJMESA-N 1 2 367.497 2.569 20 30 FFEDLO C#CCCN(CCOC)c1nnc([C@@H]2CCC[N@H+]2C)n1Cc1ccccc1 ZINC001122155401 1024391075 /nfs/dbraw/zinc/39/10/75/1024391075.db2.gz ISITYFXCLHHHLE-IBGZPJMESA-N 1 2 367.497 2.569 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)CCCCC(=O)c2ccc(OC)cc2)CC1 ZINC000759024144 1024432402 /nfs/dbraw/zinc/43/24/02/1024432402.db2.gz JWNJIIFEBFDWHL-UHFFFAOYSA-N 1 2 356.466 2.606 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CC4)no3)C[C@@]2(C)C1 ZINC001101336563 1024484120 /nfs/dbraw/zinc/48/41/20/1024484120.db2.gz IKKWIERIGNURLU-KKVAFCGZSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CC4)no3)C[C@@]2(C)C1 ZINC001101336563 1024484126 /nfs/dbraw/zinc/48/41/26/1024484126.db2.gz IKKWIERIGNURLU-KKVAFCGZSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001101337003 1024484399 /nfs/dbraw/zinc/48/43/99/1024484399.db2.gz ZLJOJSYQQAPMCS-HLIPFELVSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001101337003 1024484407 /nfs/dbraw/zinc/48/44/07/1024484407.db2.gz ZLJOJSYQQAPMCS-HLIPFELVSA-N 1 2 359.518 2.742 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C)n3CCC)C[C@@]2(C)C1 ZINC001101347010 1024510964 /nfs/dbraw/zinc/51/09/64/1024510964.db2.gz RGXLQURTBHIPBW-XLIONFOSSA-N 1 2 359.518 2.633 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C)n3CCC)C[C@@]2(C)C1 ZINC001101347010 1024510973 /nfs/dbraw/zinc/51/09/73/1024510973.db2.gz RGXLQURTBHIPBW-XLIONFOSSA-N 1 2 359.518 2.633 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C)s4)C[C@@]3(C)C2)CC1 ZINC001101354210 1024531324 /nfs/dbraw/zinc/53/13/24/1024531324.db2.gz WGNPUKWITICVDP-QAPCUYQASA-N 1 2 360.527 2.873 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C)s4)C[C@@]3(C)C2)CC1 ZINC001101354210 1024531330 /nfs/dbraw/zinc/53/13/30/1024531330.db2.gz WGNPUKWITICVDP-QAPCUYQASA-N 1 2 360.527 2.873 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+]([C@H](C)c4nnc(C)[nH]4)C[C@@]3(C)C2)CCC1 ZINC001101356309 1024536795 /nfs/dbraw/zinc/53/67/95/1024536795.db2.gz OZKYWWJFDOLSII-OGWOLHLISA-N 1 2 357.502 2.701 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+]([C@H](C)c4nnc(C)[nH]4)C[C@@]3(C)C2)CCC1 ZINC001101356309 1024536805 /nfs/dbraw/zinc/53/68/05/1024536805.db2.gz OZKYWWJFDOLSII-OGWOLHLISA-N 1 2 357.502 2.701 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC000951781766 1024702060 /nfs/dbraw/zinc/70/20/60/1024702060.db2.gz ICLRDCDEVSZNKP-RTWAWAEBSA-N 1 2 354.494 2.799 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](CCOc2ccccc2)C1 ZINC000952446464 1025022383 /nfs/dbraw/zinc/02/23/83/1025022383.db2.gz LTEHBLOLMOQBQV-PMACEKPBSA-N 1 2 358.482 2.579 20 30 FFEDLO C=CCN1CC2(CCC1=O)CC[NH+](CC(=O)c1ccccc1OC)CC2 ZINC001276859216 1033260459 /nfs/dbraw/zinc/26/04/59/1033260459.db2.gz DMHUUVRMWOTDSB-UHFFFAOYSA-N 1 2 356.466 2.769 20 30 FFEDLO C=CCCC(=O)NC[C@@H]1C[N@@H+](Cc2nc3ccsc3c(=O)[nH]2)C[C@H]1C ZINC001101805603 1025064523 /nfs/dbraw/zinc/06/45/23/1025064523.db2.gz WEBTZTAKLNVARZ-CHWSQXEVSA-N 1 2 360.483 2.547 20 30 FFEDLO C=CCCC(=O)NC[C@@H]1C[N@H+](Cc2nc3ccsc3c(=O)[nH]2)C[C@H]1C ZINC001101805603 1025064529 /nfs/dbraw/zinc/06/45/29/1025064529.db2.gz WEBTZTAKLNVARZ-CHWSQXEVSA-N 1 2 360.483 2.547 20 30 FFEDLO COC(=O)c1cnoc1CO[NH+]=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000795200356 1025353793 /nfs/dbraw/zinc/35/37/93/1025353793.db2.gz JTVFKGKPXQTGHK-UHFFFAOYSA-N 1 2 374.353 2.520 20 30 FFEDLO CC(C)N(CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1cccc(F)c1C#N ZINC001102149202 1025492644 /nfs/dbraw/zinc/49/26/44/1025492644.db2.gz GOZRZCQCYCEHHY-HUUCEWRRSA-N 1 2 369.444 2.945 20 30 FFEDLO CC(C)N(CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1cccc(F)c1C#N ZINC001102149202 1025492653 /nfs/dbraw/zinc/49/26/53/1025492653.db2.gz GOZRZCQCYCEHHY-HUUCEWRRSA-N 1 2 369.444 2.945 20 30 FFEDLO CCOC(=O)c1nc2c(s1)CC[N@H+](Cc1ccc(F)cc1C#N)CC2 ZINC001141163436 1025546760 /nfs/dbraw/zinc/54/67/60/1025546760.db2.gz DYUSNZWUJZDBDH-UHFFFAOYSA-N 1 2 359.426 2.931 20 30 FFEDLO CCOC(=O)c1nc2c(s1)CC[N@@H+](Cc1ccc(F)cc1C#N)CC2 ZINC001141163436 1025546770 /nfs/dbraw/zinc/54/67/70/1025546770.db2.gz DYUSNZWUJZDBDH-UHFFFAOYSA-N 1 2 359.426 2.931 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@@H](C(=O)NC2CCCC2)C[C@H]2OCC[C@H]21 ZINC001141163875 1025547466 /nfs/dbraw/zinc/54/74/66/1025547466.db2.gz WCTNTMSNEVNFFI-PWIZWCRZSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@@H](C(=O)NC2CCCC2)C[C@H]2OCC[C@H]21 ZINC001141163875 1025547473 /nfs/dbraw/zinc/54/74/73/1025547473.db2.gz WCTNTMSNEVNFFI-PWIZWCRZSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1cc(F)ccc1CN1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001141165911 1025552757 /nfs/dbraw/zinc/55/27/57/1025552757.db2.gz PFFKOUCIEYQKEA-INIZCTEOSA-N 1 2 354.429 2.952 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001102222707 1025607273 /nfs/dbraw/zinc/60/72/73/1025607273.db2.gz DNSSJSBTSZDOPL-ZIAGYGMSSA-N 1 2 366.531 2.723 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001102222707 1025607280 /nfs/dbraw/zinc/60/72/80/1025607280.db2.gz DNSSJSBTSZDOPL-ZIAGYGMSSA-N 1 2 366.531 2.723 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ncc(Cl)n2C)C[C@H]1C ZINC001102261194 1025657772 /nfs/dbraw/zinc/65/77/72/1025657772.db2.gz QWKATNJSJGSMFD-RRFJBIMHSA-N 1 2 352.910 2.860 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ncc(Cl)n2C)C[C@H]1C ZINC001102261194 1025657779 /nfs/dbraw/zinc/65/77/79/1025657779.db2.gz QWKATNJSJGSMFD-RRFJBIMHSA-N 1 2 352.910 2.860 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2nn(C)cc2Cl)C[C@H]1C ZINC001102326034 1025749480 /nfs/dbraw/zinc/74/94/80/1025749480.db2.gz GBRHRPIKOYCHKD-HBUWYVDXSA-N 1 2 352.910 2.860 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2nn(C)cc2Cl)C[C@H]1C ZINC001102326034 1025749497 /nfs/dbraw/zinc/74/94/97/1025749497.db2.gz GBRHRPIKOYCHKD-HBUWYVDXSA-N 1 2 352.910 2.860 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CCCO1 ZINC000839139354 1026602830 /nfs/dbraw/zinc/60/28/30/1026602830.db2.gz CLDWNJKGDKKVGS-MRXNPFEDSA-N 1 2 363.433 2.813 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CCCO1 ZINC000839139354 1026602832 /nfs/dbraw/zinc/60/28/32/1026602832.db2.gz CLDWNJKGDKKVGS-MRXNPFEDSA-N 1 2 363.433 2.813 20 30 FFEDLO CCC[N@H+](CC(=O)NC(=O)c1ccc(OC)cc1)Cc1ccc(C#N)cc1 ZINC000839466155 1026688152 /nfs/dbraw/zinc/68/81/52/1026688152.db2.gz VFHVHNDBPYFWKO-UHFFFAOYSA-N 1 2 365.433 2.735 20 30 FFEDLO CCC[N@@H+](CC(=O)NC(=O)c1ccc(OC)cc1)Cc1ccc(C#N)cc1 ZINC000839466155 1026688157 /nfs/dbraw/zinc/68/81/57/1026688157.db2.gz VFHVHNDBPYFWKO-UHFFFAOYSA-N 1 2 365.433 2.735 20 30 FFEDLO C=C[C@](C)(O)CC(=O)NCC[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001102921663 1026787021 /nfs/dbraw/zinc/78/70/21/1026787021.db2.gz QTPJPTFLWZSKMC-XNJGSVPQSA-N 1 2 371.934 2.698 20 30 FFEDLO C=C[C@](C)(O)CC(=O)NCC[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001102921663 1026787030 /nfs/dbraw/zinc/78/70/30/1026787030.db2.gz QTPJPTFLWZSKMC-XNJGSVPQSA-N 1 2 371.934 2.698 20 30 FFEDLO COC(=O)c1cc(OC)cc(OC)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001141706038 1026841829 /nfs/dbraw/zinc/84/18/29/1026841829.db2.gz RFKVJZRTXCHNMX-UHFFFAOYSA-N 1 2 354.406 2.994 20 30 FFEDLO COC(=O)c1cc(OC)cc(OC)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001141706038 1026841837 /nfs/dbraw/zinc/84/18/37/1026841837.db2.gz RFKVJZRTXCHNMX-UHFFFAOYSA-N 1 2 354.406 2.994 20 30 FFEDLO Cc1ccn(C[N@@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)c(=O)c1C#N ZINC000840185002 1027002151 /nfs/dbraw/zinc/00/21/51/1027002151.db2.gz NQWOLNFFHSVRRH-INIZCTEOSA-N 1 2 359.470 2.820 20 30 FFEDLO Cc1ccn(C[N@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)c(=O)c1C#N ZINC000840185002 1027002153 /nfs/dbraw/zinc/00/21/53/1027002153.db2.gz NQWOLNFFHSVRRH-INIZCTEOSA-N 1 2 359.470 2.820 20 30 FFEDLO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141903203 1027122649 /nfs/dbraw/zinc/12/26/49/1027122649.db2.gz VQMBICLWPYXRGS-CYBMUJFWSA-N 1 2 350.260 2.621 20 30 FFEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141903203 1027122662 /nfs/dbraw/zinc/12/26/62/1027122662.db2.gz VQMBICLWPYXRGS-CYBMUJFWSA-N 1 2 350.260 2.621 20 30 FFEDLO CSc1nc(C[NH+]2CCC(Oc3ncc(F)cn3)CC2)ccc1C#N ZINC001141946016 1027200044 /nfs/dbraw/zinc/20/00/44/1027200044.db2.gz WKACHEQXTFSAAK-UHFFFAOYSA-N 1 2 359.430 2.648 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1nc(C)ccc1CC#N)C[NH2+]C2(C)C ZINC001159661770 1027461538 /nfs/dbraw/zinc/46/15/38/1027461538.db2.gz ZPUVOWNSMNDNRD-UHFFFAOYSA-N 1 2 354.414 2.739 20 30 FFEDLO C=CCOc1ccccc1[C@@H](C)Nc1cc(N2CCC[C@@H]2C(N)=O)nc[nH+]1 ZINC001160182693 1027626494 /nfs/dbraw/zinc/62/64/94/1027626494.db2.gz KHGJMCNOWZPMSD-GDBMZVCRSA-N 1 2 367.453 2.669 20 30 FFEDLO C=CCOc1ccccc1[C@@H](C)Nc1cc(N2CCC[C@@H]2C(N)=O)[nH+]cn1 ZINC001160182693 1027626501 /nfs/dbraw/zinc/62/65/01/1027626501.db2.gz KHGJMCNOWZPMSD-GDBMZVCRSA-N 1 2 367.453 2.669 20 30 FFEDLO N#Cc1ccc(OCCNc2cc(-c3cc4c([nH]3)CCNC4=O)cc[nH+]2)cc1 ZINC001160281008 1027656722 /nfs/dbraw/zinc/65/67/22/1027656722.db2.gz LAYFCCYWESCFER-UHFFFAOYSA-N 1 2 373.416 2.725 20 30 FFEDLO Cc1nsc(NC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)c1C#N ZINC001103584591 1027730686 /nfs/dbraw/zinc/73/06/86/1027730686.db2.gz APRRCWUQHVPJHS-SNUQEOBHSA-N 1 2 370.482 2.547 20 30 FFEDLO Cc1nsc(NC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)c1C#N ZINC001103584591 1027730701 /nfs/dbraw/zinc/73/07/01/1027730701.db2.gz APRRCWUQHVPJHS-SNUQEOBHSA-N 1 2 370.482 2.547 20 30 FFEDLO COC(=O)[C@H](C#N)c1nc2ccccc2nc1NCc1c[nH+]cn1C(C)C ZINC001161570494 1028232900 /nfs/dbraw/zinc/23/29/00/1028232900.db2.gz YHQQEMIBHZPAAF-CQSZACIVSA-N 1 2 364.409 2.799 20 30 FFEDLO N#Cc1cnc2cc(Br)ccc2c1NCCCn1cc[nH+]c1 ZINC001161688477 1028279554 /nfs/dbraw/zinc/27/95/54/1028279554.db2.gz UCLVLXIFJUNIPN-UHFFFAOYSA-N 1 2 356.227 2.990 20 30 FFEDLO CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000796157879 1028601831 /nfs/dbraw/zinc/60/18/31/1028601831.db2.gz LZYGSLFIPTWLPI-SFHVURJKSA-N 1 2 372.469 2.878 20 30 FFEDLO CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000796157879 1028601837 /nfs/dbraw/zinc/60/18/37/1028601837.db2.gz LZYGSLFIPTWLPI-SFHVURJKSA-N 1 2 372.469 2.878 20 30 FFEDLO C[N@@H+]1CCO[C@@H](CNc2nc3cc(F)c(F)cc3c(Cl)c2C#N)C1 ZINC001155201473 1028622418 /nfs/dbraw/zinc/62/24/18/1028622418.db2.gz FJBNXRDBGKCOEN-VIFPVBQESA-N 1 2 352.772 2.781 20 30 FFEDLO C[N@H+]1CCO[C@@H](CNc2nc3cc(F)c(F)cc3c(Cl)c2C#N)C1 ZINC001155201473 1028622425 /nfs/dbraw/zinc/62/24/25/1028622425.db2.gz FJBNXRDBGKCOEN-VIFPVBQESA-N 1 2 352.772 2.781 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnc(Cl)s1)C2 ZINC001111728912 1029252147 /nfs/dbraw/zinc/25/21/47/1029252147.db2.gz SHFCNAJPRACMKD-ZLIFDBKOSA-N 1 2 369.918 2.594 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnc(Cl)s1)C2 ZINC001111728912 1029252160 /nfs/dbraw/zinc/25/21/60/1029252160.db2.gz SHFCNAJPRACMKD-ZLIFDBKOSA-N 1 2 369.918 2.594 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(C(C)(C)C)nn1)C2 ZINC001111742627 1029310792 /nfs/dbraw/zinc/31/07/92/1029310792.db2.gz HLFOQSYTFRQJND-KKSFZXQISA-N 1 2 371.529 2.553 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(C(C)(C)C)nn1)C2 ZINC001111742627 1029310811 /nfs/dbraw/zinc/31/08/11/1029310811.db2.gz HLFOQSYTFRQJND-KKSFZXQISA-N 1 2 371.529 2.553 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(CC3CC3)nn1)C2 ZINC001111848519 1029612459 /nfs/dbraw/zinc/61/24/59/1029612459.db2.gz JSFQFPOHKYDROX-MDKPJZGXSA-N 1 2 371.529 2.761 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(CC3CC3)nn1)C2 ZINC001111848519 1029612460 /nfs/dbraw/zinc/61/24/60/1029612460.db2.gz JSFQFPOHKYDROX-MDKPJZGXSA-N 1 2 371.529 2.761 20 30 FFEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCC[C@@H](NC(=O)c4ccccc4F)C3)c12 ZINC001157977648 1029699408 /nfs/dbraw/zinc/69/94/08/1029699408.db2.gz ALXVUUZPGOQWJA-CQSZACIVSA-N 1 2 363.396 2.972 20 30 FFEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCC[C@@H](Oc4ccc(C(N)=O)cc4)C3)c12 ZINC001158456504 1029833986 /nfs/dbraw/zinc/83/39/86/1029833986.db2.gz MIFWHWKQCSRBNY-MRXNPFEDSA-N 1 2 361.405 2.581 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nc(C)oc2C)C1 ZINC001112093798 1029988261 /nfs/dbraw/zinc/98/82/61/1029988261.db2.gz NNYKLLUQDOWGLQ-UKRRQHHQSA-N 1 2 357.376 2.574 20 30 FFEDLO COC(=O)COc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000783500253 1030124733 /nfs/dbraw/zinc/12/47/33/1030124733.db2.gz CALITWCYNHLEKP-HXUWFJFHSA-N 1 2 366.417 2.684 20 30 FFEDLO COC(=O)COc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000783500253 1030124742 /nfs/dbraw/zinc/12/47/42/1030124742.db2.gz CALITWCYNHLEKP-HXUWFJFHSA-N 1 2 366.417 2.684 20 30 FFEDLO C[C@@]1(c2ccccc2)NC(=O)N(N=Cc2cc(-n3cc[nH+]c3)cs2)C1=O ZINC000783810871 1030286910 /nfs/dbraw/zinc/28/69/10/1030286910.db2.gz BQVDVBBOUHNICV-SFHVURJKSA-N 1 2 365.418 2.735 20 30 FFEDLO CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3cc(CC#N)cc[nH+]3)C[C@H]12 ZINC001166220306 1030310966 /nfs/dbraw/zinc/31/09/66/1030310966.db2.gz XQLFWKMDLQJLCZ-UNMCSNQZSA-N 1 2 360.461 2.917 20 30 FFEDLO CCc1nnc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)s1 ZINC000784047781 1030439460 /nfs/dbraw/zinc/43/94/60/1030439460.db2.gz RENNMNQNFPHRCW-UHFFFAOYSA-N 1 2 369.450 2.912 20 30 FFEDLO CCNc1cc(CNC(=O)Nc2cc(C#N)ccc2OCCOC)cc[nH+]1 ZINC001203310703 1030670034 /nfs/dbraw/zinc/67/00/34/1030670034.db2.gz CAMDCIQWHKKLHW-UHFFFAOYSA-N 1 2 369.425 2.732 20 30 FFEDLO Cn1ncc2c1C[N@H+](Cc1cccc(C#N)c1)C[C@H]2COc1cccnc1 ZINC001203757817 1030867944 /nfs/dbraw/zinc/86/79/44/1030867944.db2.gz PXJCXKOHHFCVPW-SFHVURJKSA-N 1 2 359.433 2.865 20 30 FFEDLO Cn1ncc2c1C[N@@H+](Cc1cccc(C#N)c1)C[C@H]2COc1cccnc1 ZINC001203757817 1030867962 /nfs/dbraw/zinc/86/79/62/1030867962.db2.gz PXJCXKOHHFCVPW-SFHVURJKSA-N 1 2 359.433 2.865 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(OC(C)=O)cc1 ZINC001203950606 1031004898 /nfs/dbraw/zinc/00/48/98/1031004898.db2.gz DEOUIXQCNSYINN-LJQANCHMSA-N 1 2 355.438 2.647 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(OC(C)=O)cc1 ZINC001203950606 1031004914 /nfs/dbraw/zinc/00/49/14/1031004914.db2.gz DEOUIXQCNSYINN-LJQANCHMSA-N 1 2 355.438 2.647 20 30 FFEDLO CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(Cl)cccc1C#N ZINC001276436146 1031046955 /nfs/dbraw/zinc/04/69/55/1031046955.db2.gz BISYEZZBZONFQH-QZTJIDSGSA-N 1 2 361.873 2.813 20 30 FFEDLO CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(Cl)cccc1C#N ZINC001276436146 1031046976 /nfs/dbraw/zinc/04/69/76/1031046976.db2.gz BISYEZZBZONFQH-QZTJIDSGSA-N 1 2 361.873 2.813 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3[C@H](CC(=O)NCc4ccco4)[C@@H]3C2)c1F ZINC001143171430 1031282781 /nfs/dbraw/zinc/28/27/81/1031282781.db2.gz YGSFLIGNMUMTAX-MUJYYYPQSA-N 1 2 371.387 2.814 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3[C@H](CC(=O)NCc4ccco4)[C@@H]3C2)c1F ZINC001143171430 1031282797 /nfs/dbraw/zinc/28/27/97/1031282797.db2.gz YGSFLIGNMUMTAX-MUJYYYPQSA-N 1 2 371.387 2.814 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3COC[C@]3(COc3cccnc3)C2)c1F ZINC001143170234 1031282889 /nfs/dbraw/zinc/28/28/89/1031282889.db2.gz ZIOWYXMTMGWRBI-QRWLVFNGSA-N 1 2 371.387 2.759 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3COC[C@]3(COc3cccnc3)C2)c1F ZINC001143170234 1031282898 /nfs/dbraw/zinc/28/28/98/1031282898.db2.gz ZIOWYXMTMGWRBI-QRWLVFNGSA-N 1 2 371.387 2.759 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)c(OCC)c(F)c1 ZINC001276473768 1031362491 /nfs/dbraw/zinc/36/24/91/1031362491.db2.gz NGWCVCJQWUQOSI-FQEVSTJZSA-N 1 2 362.420 2.954 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)c(OCC)c(F)c1 ZINC001276473768 1031362503 /nfs/dbraw/zinc/36/25/03/1031362503.db2.gz NGWCVCJQWUQOSI-FQEVSTJZSA-N 1 2 362.420 2.954 20 30 FFEDLO CCC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001205053970 1031496383 /nfs/dbraw/zinc/49/63/83/1031496383.db2.gz WEJQDIQVPDDQJV-RTBURBONSA-N 1 2 369.490 2.604 20 30 FFEDLO CCC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001205053970 1031496389 /nfs/dbraw/zinc/49/63/89/1031496389.db2.gz WEJQDIQVPDDQJV-RTBURBONSA-N 1 2 369.490 2.604 20 30 FFEDLO C=CCCC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H]1O ZINC001205109554 1031531417 /nfs/dbraw/zinc/53/14/17/1031531417.db2.gz DDGRTDAWPHVANY-WOJBJXKFSA-N 1 2 369.465 2.523 20 30 FFEDLO C=CCCC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1O ZINC001205109554 1031531430 /nfs/dbraw/zinc/53/14/30/1031531430.db2.gz DDGRTDAWPHVANY-WOJBJXKFSA-N 1 2 369.465 2.523 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3OCC)C[C@@H]2C)nc1 ZINC000799427189 1031772091 /nfs/dbraw/zinc/77/20/91/1031772091.db2.gz XFIWCZAQVZYVPL-KRWDZBQOSA-N 1 2 363.461 2.808 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3OCC)C[C@@H]2C)nc1 ZINC000799427189 1031772105 /nfs/dbraw/zinc/77/21/05/1031772105.db2.gz XFIWCZAQVZYVPL-KRWDZBQOSA-N 1 2 363.461 2.808 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001223310379 1033384891 /nfs/dbraw/zinc/38/48/91/1033384891.db2.gz YQWPSGYXSNOVHW-WBVHZDCISA-N 1 2 356.470 2.563 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001223310379 1033384900 /nfs/dbraw/zinc/38/49/00/1033384900.db2.gz YQWPSGYXSNOVHW-WBVHZDCISA-N 1 2 356.470 2.563 20 30 FFEDLO CCCCCC[C@@H](C)CC(=O)N1CCO[C@@H]2C[N@H+](CC#CCOC)C[C@@H]21 ZINC001218946864 1033421449 /nfs/dbraw/zinc/42/14/49/1033421449.db2.gz XMPUUDHMZCHXDD-HSALFYBXSA-N 1 2 364.530 2.544 20 30 FFEDLO CCCCCC[C@@H](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]21 ZINC001218946864 1033421452 /nfs/dbraw/zinc/42/14/52/1033421452.db2.gz XMPUUDHMZCHXDD-HSALFYBXSA-N 1 2 364.530 2.544 20 30 FFEDLO C#CCN1C[C@@]2(CC[N@@H+](Cc3c(Cl)cc(C)cc3Cl)C2)OCC1=O ZINC001276894707 1033471168 /nfs/dbraw/zinc/47/11/68/1033471168.db2.gz HYNXDRHVHTUHTD-SFHVURJKSA-N 1 2 367.276 2.738 20 30 FFEDLO C#CCN1C[C@@]2(CC[N@H+](Cc3c(Cl)cc(C)cc3Cl)C2)OCC1=O ZINC001276894707 1033471172 /nfs/dbraw/zinc/47/11/72/1033471172.db2.gz HYNXDRHVHTUHTD-SFHVURJKSA-N 1 2 367.276 2.738 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001223586598 1033507892 /nfs/dbraw/zinc/50/78/92/1033507892.db2.gz FBBJGOGFKYVTJL-AEFFLSMTSA-N 1 2 371.529 2.947 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001223586598 1033507900 /nfs/dbraw/zinc/50/79/00/1033507900.db2.gz FBBJGOGFKYVTJL-AEFFLSMTSA-N 1 2 371.529 2.947 20 30 FFEDLO CCCC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001219562357 1033691776 /nfs/dbraw/zinc/69/17/76/1033691776.db2.gz KJCLQKCYVCNQFP-IPELMVKDSA-N 1 2 362.901 2.679 20 30 FFEDLO CCCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001219562357 1033691785 /nfs/dbraw/zinc/69/17/85/1033691785.db2.gz KJCLQKCYVCNQFP-IPELMVKDSA-N 1 2 362.901 2.679 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3nc4ccccn4n3)CC2)C1=O ZINC001276944895 1033709820 /nfs/dbraw/zinc/70/98/20/1033709820.db2.gz CJFKZAHHAIOWKN-HXUWFJFHSA-N 1 2 353.470 2.510 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3nc4ccccn4n3)CC2)C1=O ZINC001276944895 1033709837 /nfs/dbraw/zinc/70/98/37/1033709837.db2.gz CJFKZAHHAIOWKN-HXUWFJFHSA-N 1 2 353.470 2.510 20 30 FFEDLO CC(C)(C)CCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219683896 1033745884 /nfs/dbraw/zinc/74/58/84/1033745884.db2.gz GWXUSIXHXCIZQP-UXHICEINSA-N 1 2 356.510 2.806 20 30 FFEDLO CC(C)(C)CCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219683896 1033745893 /nfs/dbraw/zinc/74/58/93/1033745893.db2.gz GWXUSIXHXCIZQP-UXHICEINSA-N 1 2 356.510 2.806 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cn(C)nn4)[C@H]3C2)CCCCC1 ZINC001224217292 1033778813 /nfs/dbraw/zinc/77/88/13/1033778813.db2.gz ZHSFUFCBVDHLSR-MJGOQNOKSA-N 1 2 371.529 2.765 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4cn(C)nn4)[C@H]3C2)CCCCC1 ZINC001224217292 1033778824 /nfs/dbraw/zinc/77/88/24/1033778824.db2.gz ZHSFUFCBVDHLSR-MJGOQNOKSA-N 1 2 371.529 2.765 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3csc(CC)n3)[C@H]2C1 ZINC001224289210 1033831304 /nfs/dbraw/zinc/83/13/04/1033831304.db2.gz JKJMVMZRUOYDGD-UXLLHSPISA-N 1 2 363.527 2.719 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3csc(CC)n3)[C@H]2C1 ZINC001224289210 1033831322 /nfs/dbraw/zinc/83/13/22/1033831322.db2.gz JKJMVMZRUOYDGD-UXLLHSPISA-N 1 2 363.527 2.719 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2c(Cl)oc3ccccc32)C[C@@H]1O ZINC001220146669 1034006020 /nfs/dbraw/zinc/00/60/20/1034006020.db2.gz MJNOIRMFLPLJQM-CABCVRRESA-N 1 2 362.857 2.960 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2c(Cl)oc3ccccc32)C[C@@H]1O ZINC001220146669 1034006028 /nfs/dbraw/zinc/00/60/28/1034006028.db2.gz MJNOIRMFLPLJQM-CABCVRRESA-N 1 2 362.857 2.960 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1O ZINC001220201479 1034042927 /nfs/dbraw/zinc/04/29/27/1034042927.db2.gz RFTBNYVFDHIEHN-YSGRDPCXSA-N 1 2 369.465 2.605 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1O ZINC001220201479 1034042940 /nfs/dbraw/zinc/04/29/40/1034042940.db2.gz RFTBNYVFDHIEHN-YSGRDPCXSA-N 1 2 369.465 2.605 20 30 FFEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cncc(Cl)c1Cl)CC2 ZINC001277005722 1034051868 /nfs/dbraw/zinc/05/18/68/1034051868.db2.gz YZRQKLXKTBPWQR-ZDUSSCGKSA-N 1 2 352.265 2.740 20 30 FFEDLO CC(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220628674 1034303743 /nfs/dbraw/zinc/30/37/43/1034303743.db2.gz IIJJGNUIPJLSOT-LZQZEXGQSA-N 1 2 362.901 2.535 20 30 FFEDLO CC(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220628674 1034303759 /nfs/dbraw/zinc/30/37/59/1034303759.db2.gz IIJJGNUIPJLSOT-LZQZEXGQSA-N 1 2 362.901 2.535 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2CCCn3nnc(COCC4CC4)c3C2)cc1 ZINC001138559956 1034412912 /nfs/dbraw/zinc/41/29/12/1034412912.db2.gz XKTZIBDLYZGLRW-UHFFFAOYSA-N 1 2 366.465 2.623 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2CCCn3nnc(COCC4CC4)c3C2)cc1 ZINC001138559956 1034412921 /nfs/dbraw/zinc/41/29/21/1034412921.db2.gz XKTZIBDLYZGLRW-UHFFFAOYSA-N 1 2 366.465 2.623 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1cccc(CC=C)c1O ZINC001138626784 1034478683 /nfs/dbraw/zinc/47/86/83/1034478683.db2.gz OMVISKUZRAKJHM-GOSISDBHSA-N 1 2 354.454 2.551 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1cccc(CC=C)c1O ZINC001138626784 1034478686 /nfs/dbraw/zinc/47/86/86/1034478686.db2.gz OMVISKUZRAKJHM-GOSISDBHSA-N 1 2 354.454 2.551 20 30 FFEDLO C=C(C)COc1ccccc1C[N@@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001138661635 1034520398 /nfs/dbraw/zinc/52/03/98/1034520398.db2.gz YEQHURZABCKYIJ-QGZVFWFLSA-N 1 2 356.470 2.906 20 30 FFEDLO C=C(C)COc1ccccc1C[N@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001138661635 1034520406 /nfs/dbraw/zinc/52/04/06/1034520406.db2.gz YEQHURZABCKYIJ-QGZVFWFLSA-N 1 2 356.470 2.906 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@@H]1O)c1ccccc1 ZINC001221048472 1034525002 /nfs/dbraw/zinc/52/50/02/1034525002.db2.gz SCDDZMBJQOTDIF-AQNXPRMDSA-N 1 2 370.880 2.971 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@@H]1O)c1ccccc1 ZINC001221048472 1034525014 /nfs/dbraw/zinc/52/50/14/1034525014.db2.gz SCDDZMBJQOTDIF-AQNXPRMDSA-N 1 2 370.880 2.971 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C(C)(C)C)n1 ZINC001226133702 1034538934 /nfs/dbraw/zinc/53/89/34/1034538934.db2.gz IXOHOEZUUVFLNK-HUUCEWRRSA-N 1 2 360.502 2.934 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H]3CN(C(=O)CCCCC)[C@@H]3C2)c1 ZINC001221278978 1034640386 /nfs/dbraw/zinc/64/03/86/1034640386.db2.gz OHXWNWQAJWXJKV-UYAOXDASSA-N 1 2 367.493 2.719 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)CCCCC)[C@@H]3C2)c1 ZINC001221278978 1034640392 /nfs/dbraw/zinc/64/03/92/1034640392.db2.gz OHXWNWQAJWXJKV-UYAOXDASSA-N 1 2 367.493 2.719 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(CC)n1)OCC ZINC001226542034 1034725238 /nfs/dbraw/zinc/72/52/38/1034725238.db2.gz LMMKXQIYWWJPAK-BZUAXINKSA-N 1 2 364.490 2.520 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)cc3F)C[C@H]21 ZINC001221421741 1034733718 /nfs/dbraw/zinc/73/37/18/1034733718.db2.gz GGOJTJMVZOQYTO-ZSZQSSIHSA-N 1 2 364.436 2.979 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)cc3F)C[C@H]21 ZINC001221421741 1034733728 /nfs/dbraw/zinc/73/37/28/1034733728.db2.gz GGOJTJMVZOQYTO-ZSZQSSIHSA-N 1 2 364.436 2.979 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccc(C)c(C)c3)C[C@H]21 ZINC001221424350 1034740242 /nfs/dbraw/zinc/74/02/42/1034740242.db2.gz BMBNDTPXIWJPAU-IEBWSBKVSA-N 1 2 355.482 2.741 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccc(C)c(C)c3)C[C@H]21 ZINC001221424350 1034740258 /nfs/dbraw/zinc/74/02/58/1034740258.db2.gz BMBNDTPXIWJPAU-IEBWSBKVSA-N 1 2 355.482 2.741 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2noc(C3CC3)n2)CCC1 ZINC001226730822 1034811250 /nfs/dbraw/zinc/81/12/50/1034811250.db2.gz OTYBOTDVWBJTJB-HZPDHXFCSA-N 1 2 356.470 2.658 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC001221539080 1034856731 /nfs/dbraw/zinc/85/67/31/1034856731.db2.gz LSHVQYJCDUIQFO-JJRVBVJISA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC001221539080 1034856741 /nfs/dbraw/zinc/85/67/41/1034856741.db2.gz LSHVQYJCDUIQFO-JJRVBVJISA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001221545009 1034862975 /nfs/dbraw/zinc/86/29/75/1034862975.db2.gz RTLLLVGLCKRFMF-CRAIPNDOSA-N 1 2 364.848 2.552 20 30 FFEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001221545009 1034862980 /nfs/dbraw/zinc/86/29/80/1034862980.db2.gz RTLLLVGLCKRFMF-CRAIPNDOSA-N 1 2 364.848 2.552 20 30 FFEDLO COCCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)CC1 ZINC001221604697 1034911841 /nfs/dbraw/zinc/91/18/41/1034911841.db2.gz LCQDUPGAFVUSRN-VQIMIIECSA-N 1 2 371.456 2.547 20 30 FFEDLO COCCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)CC1 ZINC001221604697 1034911848 /nfs/dbraw/zinc/91/18/48/1034911848.db2.gz LCQDUPGAFVUSRN-VQIMIIECSA-N 1 2 371.456 2.547 20 30 FFEDLO CCC[C@H](OCC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221752308 1035036927 /nfs/dbraw/zinc/03/69/27/1035036927.db2.gz NCEALBDOPUZDRH-AQNXPRMDSA-N 1 2 355.482 2.796 20 30 FFEDLO CCC[C@H](OCC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221752308 1035036934 /nfs/dbraw/zinc/03/69/34/1035036934.db2.gz NCEALBDOPUZDRH-AQNXPRMDSA-N 1 2 355.482 2.796 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(N4CCCCC4)nc3)CC2)c1 ZINC001139344142 1035066232 /nfs/dbraw/zinc/06/62/32/1035066232.db2.gz BZJNMGPIUOLLMB-UHFFFAOYSA-N 1 2 362.481 2.661 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C[NH+]3CCN(c4cncnc4)CC3)cn2)cc1 ZINC001139428049 1035103337 /nfs/dbraw/zinc/10/33/37/1035103337.db2.gz ZQDZPLZRZZHEIV-UHFFFAOYSA-N 1 2 372.432 2.858 20 30 FFEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1ccc(C)c(C#N)c1 ZINC001139724899 1035208846 /nfs/dbraw/zinc/20/88/46/1035208846.db2.gz UQEKFCUXPYZQQT-HXUWFJFHSA-N 1 2 365.481 2.880 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@]3(CCCN(c4cnccn4)C3)C2)cc1C#N ZINC001139725672 1035209947 /nfs/dbraw/zinc/20/99/47/1035209947.db2.gz XTNIHFVHCWDUTL-OAQYLSRUSA-N 1 2 363.465 2.528 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@]3(CCCN(c4cnccn4)C3)C2)cc1C#N ZINC001139725672 1035209953 /nfs/dbraw/zinc/20/99/53/1035209953.db2.gz XTNIHFVHCWDUTL-OAQYLSRUSA-N 1 2 363.465 2.528 20 30 FFEDLO N#Cc1cc(F)cc(C[NH+]2CCN(c3cccc4c3OCCO4)CC2)c1 ZINC001139875433 1035262782 /nfs/dbraw/zinc/26/27/82/1035262782.db2.gz MYTBXQDWIWSGCB-UHFFFAOYSA-N 1 2 353.397 2.791 20 30 FFEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1cc(F)cc(C#N)c1 ZINC001139877187 1035264090 /nfs/dbraw/zinc/26/40/90/1035264090.db2.gz AEDYOKLULOCZSS-LJQANCHMSA-N 1 2 369.444 2.710 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1[nH]nc3ccc(OC)cc31)CC2 ZINC001140066207 1035330624 /nfs/dbraw/zinc/33/06/24/1035330624.db2.gz OYWLKKOWPXJKBV-UHFFFAOYSA-N 1 2 367.453 2.566 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1[nH]nc3ccc(OC)cc31)CC2 ZINC001140066207 1035330628 /nfs/dbraw/zinc/33/06/28/1035330628.db2.gz OYWLKKOWPXJKBV-UHFFFAOYSA-N 1 2 367.453 2.566 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1n[nH]c3ccc(OC)cc31)CC2 ZINC001140066207 1035330630 /nfs/dbraw/zinc/33/06/30/1035330630.db2.gz OYWLKKOWPXJKBV-UHFFFAOYSA-N 1 2 367.453 2.566 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1n[nH]c3ccc(OC)cc31)CC2 ZINC001140066207 1035330636 /nfs/dbraw/zinc/33/06/36/1035330636.db2.gz OYWLKKOWPXJKBV-UHFFFAOYSA-N 1 2 367.453 2.566 20 30 FFEDLO CS(=O)(=O)c1ccc(C2CC[NH+](Cc3ccc(C#N)nc3)CC2)cc1 ZINC001140547525 1035609376 /nfs/dbraw/zinc/60/93/76/1035609376.db2.gz SIDXELYASFBJKC-UHFFFAOYSA-N 1 2 355.463 2.736 20 30 FFEDLO C=CCN1c2ccccc2C2(CC[NH+](Cc3nnc(C)s3)CC2)C1=O ZINC001277658437 1035639587 /nfs/dbraw/zinc/63/95/87/1035639587.db2.gz SBKMHBBBFGVHGX-UHFFFAOYSA-N 1 2 354.479 2.913 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3O)C[C@@H]2C1 ZINC001232675279 1035932192 /nfs/dbraw/zinc/93/21/92/1035932192.db2.gz OYVHPKADXBCLPW-NVXWUHKLSA-N 1 2 357.454 2.953 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3O)C[C@@H]2C1 ZINC001232675279 1035932200 /nfs/dbraw/zinc/93/22/00/1035932200.db2.gz OYVHPKADXBCLPW-NVXWUHKLSA-N 1 2 357.454 2.953 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001228413140 1036098720 /nfs/dbraw/zinc/09/87/20/1036098720.db2.gz HJDVARGTJPHKCK-SPYBWZPUSA-N 1 2 362.522 2.547 20 30 FFEDLO Cc1ccc(C[N@H+](C)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c(C#N)c1 ZINC001232961890 1036190572 /nfs/dbraw/zinc/19/05/72/1036190572.db2.gz IIBJJSOZRGTJIJ-SFHVURJKSA-N 1 2 359.470 2.934 20 30 FFEDLO Cc1ccc(C[N@@H+](C)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c(C#N)c1 ZINC001232961890 1036190581 /nfs/dbraw/zinc/19/05/81/1036190581.db2.gz IIBJJSOZRGTJIJ-SFHVURJKSA-N 1 2 359.470 2.934 20 30 FFEDLO CSc1ncc(C#N)c(O[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC001228681595 1036252003 /nfs/dbraw/zinc/25/20/03/1036252003.db2.gz MLPQJFUEFCKYNO-PBHICJAKSA-N 1 2 370.478 2.738 20 30 FFEDLO CSc1ncc(C#N)c(O[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC001228681595 1036252018 /nfs/dbraw/zinc/25/20/18/1036252018.db2.gz MLPQJFUEFCKYNO-PBHICJAKSA-N 1 2 370.478 2.738 20 30 FFEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001233043859 1036287964 /nfs/dbraw/zinc/28/79/64/1036287964.db2.gz NJXWKFDCLZVVLV-UYAOXDASSA-N 1 2 352.438 2.731 20 30 FFEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001233043859 1036287985 /nfs/dbraw/zinc/28/79/85/1036287985.db2.gz NJXWKFDCLZVVLV-UYAOXDASSA-N 1 2 352.438 2.731 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC2(CC1)COCC[N@H+](Cc1[nH]ccc1C#N)C2 ZINC001233046509 1036292721 /nfs/dbraw/zinc/29/27/21/1036292721.db2.gz XVDBVSNELQOGAO-UHFFFAOYSA-N 1 2 374.485 2.736 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC2(CC1)COCC[N@@H+](Cc1[nH]ccc1C#N)C2 ZINC001233046509 1036292740 /nfs/dbraw/zinc/29/27/40/1036292740.db2.gz XVDBVSNELQOGAO-UHFFFAOYSA-N 1 2 374.485 2.736 20 30 FFEDLO CCc1cc(C[NH+]2CC3(C2)COCC(=O)N3CC=C(C)C)ccc1C#N ZINC001277762489 1036353803 /nfs/dbraw/zinc/35/38/03/1036353803.db2.gz XZDPORGJOSSSGU-UHFFFAOYSA-N 1 2 353.466 2.500 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cncc(F)c1Cl ZINC001277358455 1036512152 /nfs/dbraw/zinc/51/21/52/1036512152.db2.gz VHIJPDKKSDRREK-HUUCEWRRSA-N 1 2 350.825 2.743 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cncc(F)c1Cl ZINC001277358455 1036512164 /nfs/dbraw/zinc/51/21/64/1036512164.db2.gz VHIJPDKKSDRREK-HUUCEWRRSA-N 1 2 350.825 2.743 20 30 FFEDLO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3cncc(Cl)n3)CC2)cc1 ZINC001233451002 1036632075 /nfs/dbraw/zinc/63/20/75/1036632075.db2.gz SEFVVCXJXGUTQI-UHFFFAOYSA-N 1 2 370.844 2.788 20 30 FFEDLO COc1cc(/C=N/O)ccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233802059 1036769344 /nfs/dbraw/zinc/76/93/44/1036769344.db2.gz GHDOXFKTAXSVOW-IUOVYFEOSA-N 1 2 356.422 2.783 20 30 FFEDLO COc1cc(/C=N/O)ccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233802059 1036769365 /nfs/dbraw/zinc/76/93/65/1036769365.db2.gz GHDOXFKTAXSVOW-IUOVYFEOSA-N 1 2 356.422 2.783 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C(C)C ZINC001206949497 1036968494 /nfs/dbraw/zinc/96/84/94/1036968494.db2.gz GFBGCFVHORXGDW-NIKGAXFTSA-N 1 2 361.461 2.695 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C(C)C ZINC001206949497 1036968511 /nfs/dbraw/zinc/96/85/11/1036968511.db2.gz GFBGCFVHORXGDW-NIKGAXFTSA-N 1 2 361.461 2.695 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001206950712 1036971046 /nfs/dbraw/zinc/97/10/46/1036971046.db2.gz FYDOCKJZPADUNL-VQIMIIECSA-N 1 2 356.514 2.984 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001206950712 1036971068 /nfs/dbraw/zinc/97/10/68/1036971068.db2.gz FYDOCKJZPADUNL-VQIMIIECSA-N 1 2 356.514 2.984 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206952755 1036973652 /nfs/dbraw/zinc/97/36/52/1036973652.db2.gz CSQIMLWSBXLKMG-RDTXWAMCSA-N 1 2 367.424 2.831 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206952755 1036973667 /nfs/dbraw/zinc/97/36/67/1036973667.db2.gz CSQIMLWSBXLKMG-RDTXWAMCSA-N 1 2 367.424 2.831 20 30 FFEDLO C#CCCOc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]2C)cc1 ZINC001206956421 1036982602 /nfs/dbraw/zinc/98/26/02/1036982602.db2.gz HTDSESXKZGFVFH-DNVCBOLYSA-N 1 2 367.449 2.635 20 30 FFEDLO C#CCCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]2C)cc1 ZINC001206956421 1036982614 /nfs/dbraw/zinc/98/26/14/1036982614.db2.gz HTDSESXKZGFVFH-DNVCBOLYSA-N 1 2 367.449 2.635 20 30 FFEDLO C#CCCOc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]2C)cc1 ZINC001206956593 1036985113 /nfs/dbraw/zinc/98/51/13/1036985113.db2.gz OZUBLYUDKWKXJS-FOIQADDNSA-N 1 2 367.449 2.635 20 30 FFEDLO C#CCCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)on3)C[C@H]2C)cc1 ZINC001206956593 1036985129 /nfs/dbraw/zinc/98/51/29/1036985129.db2.gz OZUBLYUDKWKXJS-FOIQADDNSA-N 1 2 367.449 2.635 20 30 FFEDLO Cc1ccc(N2CCC(Oc3[nH]c(=O)nc4cccc(C#N)c43)CC2)[nH+]c1 ZINC001234513682 1037066660 /nfs/dbraw/zinc/06/66/60/1037066660.db2.gz NTLYRCZEZAXEGJ-UHFFFAOYSA-N 1 2 361.405 2.958 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(F)cc1C(=O)OC ZINC001276503196 1037084132 /nfs/dbraw/zinc/08/41/32/1037084132.db2.gz JNRHRBQNPKHETM-HXUWFJFHSA-N 1 2 360.429 2.755 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(F)cc1C(=O)OC ZINC001276503196 1037084136 /nfs/dbraw/zinc/08/41/36/1037084136.db2.gz JNRHRBQNPKHETM-HXUWFJFHSA-N 1 2 360.429 2.755 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(CCCC)n1 ZINC001230320186 1037219644 /nfs/dbraw/zinc/21/96/44/1037219644.db2.gz NWYGRIJYENJROP-HZPDHXFCSA-N 1 2 364.490 2.522 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001207215910 1037255242 /nfs/dbraw/zinc/25/52/42/1037255242.db2.gz TXKCWJMTVJTOEK-VQIMIIECSA-N 1 2 353.470 2.560 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001207215910 1037255248 /nfs/dbraw/zinc/25/52/48/1037255248.db2.gz TXKCWJMTVJTOEK-VQIMIIECSA-N 1 2 353.470 2.560 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CC(Oc3ccccc3C#N)C2)C1 ZINC001207216521 1037255371 /nfs/dbraw/zinc/25/53/71/1037255371.db2.gz IOMJIWSCARTZBB-HNNXBMFYSA-N 1 2 357.454 2.878 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCCN2c1nc(N(C)CC)c(C)c[nH+]1 ZINC001277920656 1037343643 /nfs/dbraw/zinc/34/36/43/1037343643.db2.gz AQZFGTCDBGCRHK-FQEVSTJZSA-N 1 2 357.502 2.779 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CCCCC2)C1 ZINC001207795651 1037733877 /nfs/dbraw/zinc/73/38/77/1037733877.db2.gz LYFXXRKDQDGUKW-IUODEOHRSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CCCCC2)C1 ZINC001207795651 1037733895 /nfs/dbraw/zinc/73/38/95/1037733895.db2.gz LYFXXRKDQDGUKW-IUODEOHRSA-N 1 2 359.308 2.681 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@]12CC(=O)N(CC(F)F)C2 ZINC001277974678 1037799436 /nfs/dbraw/zinc/79/94/36/1037799436.db2.gz MZIQRHILAFBYLF-GOSISDBHSA-N 1 2 351.372 2.919 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@]12CC(=O)N(CC(F)F)C2 ZINC001277974678 1037799450 /nfs/dbraw/zinc/79/94/50/1037799450.db2.gz MZIQRHILAFBYLF-GOSISDBHSA-N 1 2 351.372 2.919 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(C(=O)OCC)cn1)CCO2 ZINC001235869925 1037808026 /nfs/dbraw/zinc/80/80/26/1037808026.db2.gz PVMLKTFNRGURHS-WIYYLYMNSA-N 1 2 374.481 2.832 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccc(C(=O)OCC)cn1)CCO2 ZINC001235869925 1037808038 /nfs/dbraw/zinc/80/80/38/1037808038.db2.gz PVMLKTFNRGURHS-WIYYLYMNSA-N 1 2 374.481 2.832 20 30 FFEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cc(F)cnc1OC)CCO2 ZINC001231744356 1037871059 /nfs/dbraw/zinc/87/10/59/1037871059.db2.gz VGABGUZDSQDYET-QFBILLFUSA-N 1 2 350.434 2.803 20 30 FFEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cc(F)cnc1OC)CCO2 ZINC001231744356 1037871069 /nfs/dbraw/zinc/87/10/69/1037871069.db2.gz VGABGUZDSQDYET-QFBILLFUSA-N 1 2 350.434 2.803 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(F)c(OC(C)C)c2F)C1=O ZINC001277567256 1037914226 /nfs/dbraw/zinc/91/42/26/1037914226.db2.gz OLFNQJJAQWTMTH-FQEVSTJZSA-N 1 2 362.420 2.952 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(F)c(OC(C)C)c2F)C1=O ZINC001277567256 1037914241 /nfs/dbraw/zinc/91/42/41/1037914241.db2.gz OLFNQJJAQWTMTH-FQEVSTJZSA-N 1 2 362.420 2.952 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@]23CCN(Cc2cnoc2)C3=O)cc1Cl ZINC001277596828 1038088379 /nfs/dbraw/zinc/08/83/79/1038088379.db2.gz OCHVYHDXYCSNQZ-IBGZPJMESA-N 1 2 370.840 2.967 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@]23CCN(Cc2cnoc2)C3=O)cc1Cl ZINC001277596828 1038088401 /nfs/dbraw/zinc/08/84/01/1038088401.db2.gz OCHVYHDXYCSNQZ-IBGZPJMESA-N 1 2 370.840 2.967 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001208149844 1038091227 /nfs/dbraw/zinc/09/12/27/1038091227.db2.gz JRFXMCZFFNCTFG-YVWKXTFCSA-N 1 2 362.518 2.629 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001208149844 1038091251 /nfs/dbraw/zinc/09/12/51/1038091251.db2.gz JRFXMCZFFNCTFG-YVWKXTFCSA-N 1 2 362.518 2.629 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2csc(C)n2)C[C@H]1C ZINC001208151248 1038095852 /nfs/dbraw/zinc/09/58/52/1038095852.db2.gz YJCNAXYLBFDGCX-MZMPZRCHSA-N 1 2 351.516 2.617 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2csc(C)n2)C[C@H]1C ZINC001208151248 1038095872 /nfs/dbraw/zinc/09/58/72/1038095872.db2.gz YJCNAXYLBFDGCX-MZMPZRCHSA-N 1 2 351.516 2.617 20 30 FFEDLO N#CC1(NS(=O)(=O)c2cccc(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC001255683300 1038126104 /nfs/dbraw/zinc/12/61/04/1038126104.db2.gz KZTSFHHSVFLCIU-UHFFFAOYSA-N 1 2 373.453 2.662 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001208292134 1038195028 /nfs/dbraw/zinc/19/50/28/1038195028.db2.gz KPIFWDSFZNJQMX-SJLPKXTDSA-N 1 2 357.498 2.972 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001208292134 1038195031 /nfs/dbraw/zinc/19/50/31/1038195031.db2.gz KPIFWDSFZNJQMX-SJLPKXTDSA-N 1 2 357.498 2.972 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001208298729 1038199202 /nfs/dbraw/zinc/19/92/02/1038199202.db2.gz ZKUDWTWKFDJTOT-RHSMWYFYSA-N 1 2 361.461 2.803 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001208298729 1038199213 /nfs/dbraw/zinc/19/92/13/1038199213.db2.gz ZKUDWTWKFDJTOT-RHSMWYFYSA-N 1 2 361.461 2.803 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nnc(CC(C)C)o2)C[C@H]1C ZINC001208374728 1038262684 /nfs/dbraw/zinc/26/26/84/1038262684.db2.gz VAHGSROWJQUVQN-BRWVUGGUSA-N 1 2 360.502 2.959 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nnc(CC(C)C)o2)C[C@H]1C ZINC001208374728 1038262692 /nfs/dbraw/zinc/26/26/92/1038262692.db2.gz VAHGSROWJQUVQN-BRWVUGGUSA-N 1 2 360.502 2.959 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC001208393284 1038278333 /nfs/dbraw/zinc/27/83/33/1038278333.db2.gz NEOXWUFBVCTPNO-RBSFLKMASA-N 1 2 358.442 2.868 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC001208393284 1038278338 /nfs/dbraw/zinc/27/83/38/1038278338.db2.gz NEOXWUFBVCTPNO-RBSFLKMASA-N 1 2 358.442 2.868 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(CC(F)(F)F)n2)C[C@H]1C ZINC001208455371 1038325265 /nfs/dbraw/zinc/32/52/65/1038325265.db2.gz NEWGOCWTNLMLTB-UKRRQHHQSA-N 1 2 358.408 2.738 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(CC(F)(F)F)n2)C[C@H]1C ZINC001208455371 1038325271 /nfs/dbraw/zinc/32/52/71/1038325271.db2.gz NEWGOCWTNLMLTB-UKRRQHHQSA-N 1 2 358.408 2.738 20 30 FFEDLO COc1ccc(C#N)c(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)c1 ZINC001278906240 1038337102 /nfs/dbraw/zinc/33/71/02/1038337102.db2.gz RUIKMLNDKYRJFZ-UHFFFAOYSA-N 1 2 367.371 2.810 20 30 FFEDLO COc1ccc(C#N)c(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)c1 ZINC001278906240 1038337113 /nfs/dbraw/zinc/33/71/13/1038337113.db2.gz RUIKMLNDKYRJFZ-UHFFFAOYSA-N 1 2 367.371 2.810 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001208498334 1038360765 /nfs/dbraw/zinc/36/07/65/1038360765.db2.gz QGLVILRRUHSRGA-ZTQAJYAQSA-N 1 2 361.461 2.803 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001208498334 1038360777 /nfs/dbraw/zinc/36/07/77/1038360777.db2.gz QGLVILRRUHSRGA-ZTQAJYAQSA-N 1 2 361.461 2.803 20 30 FFEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1c(F)cc(Cl)cc1OC)CC2 ZINC001278030261 1038368971 /nfs/dbraw/zinc/36/89/71/1038368971.db2.gz CTIVVLRQMOCFRH-OAHLLOKOSA-N 1 2 364.848 2.839 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccco3)no2)C[C@H]1C ZINC001208509048 1038371378 /nfs/dbraw/zinc/37/13/78/1038371378.db2.gz QACGBRJSURWEHK-PJIJBLCYSA-N 1 2 358.442 2.868 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccco3)no2)C[C@H]1C ZINC001208509048 1038371391 /nfs/dbraw/zinc/37/13/91/1038371391.db2.gz QACGBRJSURWEHK-PJIJBLCYSA-N 1 2 358.442 2.868 20 30 FFEDLO Cc1cc(CCC(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)no1 ZINC001208564694 1038414367 /nfs/dbraw/zinc/41/43/67/1038414367.db2.gz HRXMEWQBSPTLCZ-BFUOFWGJSA-N 1 2 370.428 2.563 20 30 FFEDLO Cc1cc(CCC(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)no1 ZINC001208564694 1038414370 /nfs/dbraw/zinc/41/43/70/1038414370.db2.gz HRXMEWQBSPTLCZ-BFUOFWGJSA-N 1 2 370.428 2.563 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1C[C@H](C)OCc1ccccc1 ZINC001208701538 1038492119 /nfs/dbraw/zinc/49/21/19/1038492119.db2.gz VSIPFPHQVSEKCG-QFBILLFUSA-N 1 2 356.470 2.522 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1C[C@H](C)OCc1ccccc1 ZINC001208701538 1038492121 /nfs/dbraw/zinc/49/21/21/1038492121.db2.gz VSIPFPHQVSEKCG-QFBILLFUSA-N 1 2 356.470 2.522 20 30 FFEDLO CC[C@H](C)NC(=O)[C@H]1CC12CC[NH+](CC(=O)c1ccc(C#N)cc1)CC2 ZINC001276626945 1038730389 /nfs/dbraw/zinc/73/03/89/1038730389.db2.gz FMVSDALCNPMCIU-MAUKXSAKSA-N 1 2 353.466 2.758 20 30 FFEDLO C#CCCC[N@@H+]1CCc2c(nnn2CC2CC2)[C@@H]1COCc1cccnc1 ZINC001209267696 1038738936 /nfs/dbraw/zinc/73/89/36/1038738936.db2.gz UECOVYPLJJURCY-FQEVSTJZSA-N 1 2 365.481 2.613 20 30 FFEDLO C#CCCC[N@H+]1CCc2c(nnn2CC2CC2)[C@@H]1COCc1cccnc1 ZINC001209267696 1038738947 /nfs/dbraw/zinc/73/89/47/1038738947.db2.gz UECOVYPLJJURCY-FQEVSTJZSA-N 1 2 365.481 2.613 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](CCOc2ccccc2)Cc2nnn(CC3CC3)c21 ZINC001209298288 1038749035 /nfs/dbraw/zinc/74/90/35/1038749035.db2.gz SHIGXPOSALTINQ-SFHVURJKSA-N 1 2 368.481 2.869 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](CCOc2ccccc2)Cc2nnn(CC3CC3)c21 ZINC001209298288 1038749039 /nfs/dbraw/zinc/74/90/39/1038749039.db2.gz SHIGXPOSALTINQ-SFHVURJKSA-N 1 2 368.481 2.869 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+]([C@@H](C)c3nncn3C)C[C@H]2C)CCCCC1 ZINC001209407091 1038848011 /nfs/dbraw/zinc/84/80/11/1038848011.db2.gz ZIDOBVWMAPBXMQ-IXDOHACOSA-N 1 2 359.518 2.839 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3nncn3C)C[C@H]2C)CCCCC1 ZINC001209407091 1038848028 /nfs/dbraw/zinc/84/80/28/1038848028.db2.gz ZIDOBVWMAPBXMQ-IXDOHACOSA-N 1 2 359.518 2.839 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1c[nH]c2c1cccc2C ZINC001209481830 1038917143 /nfs/dbraw/zinc/91/71/43/1038917143.db2.gz BYNKOXKGNHWMDL-GOSISDBHSA-N 1 2 351.454 2.907 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1c[nH]c2c1cccc2C ZINC001209481830 1038917151 /nfs/dbraw/zinc/91/71/51/1038917151.db2.gz BYNKOXKGNHWMDL-GOSISDBHSA-N 1 2 351.454 2.907 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1Cc1c(F)c(Br)ccc1C(F)(F)F ZINC001210122904 1039393663 /nfs/dbraw/zinc/39/36/63/1039393663.db2.gz UYDUHVOTYOATHV-MRVPVSSYSA-N 1 2 366.156 2.904 20 30 FFEDLO Cc1cnc(Cl)c(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c1 ZINC001278660657 1039502931 /nfs/dbraw/zinc/50/29/31/1039502931.db2.gz UNZLQCRTTKERKI-UHFFFAOYSA-N 1 2 355.873 2.571 20 30 FFEDLO N#Cc1ccc(-c2noc([C@H](Cc3c[nH]c[nH+]3)NC=O)n2)c2ccccc12 ZINC001247271204 1039685326 /nfs/dbraw/zinc/68/53/26/1039685326.db2.gz ZKTGXHGNRDCMKP-KRWDZBQOSA-N 1 2 358.361 2.514 20 30 FFEDLO N#Cc1ccc(-c2noc([C@H](Cc3c[nH+]c[nH]3)NC=O)n2)c2ccccc12 ZINC001247271204 1039685335 /nfs/dbraw/zinc/68/53/35/1039685335.db2.gz ZKTGXHGNRDCMKP-KRWDZBQOSA-N 1 2 358.361 2.514 20 30 FFEDLO N#Cc1c(Cl)cccc1CN1CC2(C1)C[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001278692145 1039922688 /nfs/dbraw/zinc/92/26/88/1039922688.db2.gz KUZFXZTXIAOGFV-UHFFFAOYSA-N 1 2 354.841 2.630 20 30 FFEDLO Cc1cccn2c([C@H](C)NS(=O)(=O)c3ccc(F)c(C#N)c3)c[nH+]c12 ZINC001259421773 1039991591 /nfs/dbraw/zinc/99/15/91/1039991591.db2.gz OPORWSJKSVYBPI-LBPRGKRZSA-N 1 2 358.398 2.693 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2nccc(C)n2)C[C@H]1C)c1ccccc1 ZINC001211241349 1040026177 /nfs/dbraw/zinc/02/61/77/1040026177.db2.gz KJMYWYNXIKXZQK-AYOQOUSVSA-N 1 2 350.466 2.691 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2nccc(C)n2)C[C@H]1C)c1ccccc1 ZINC001211241349 1040026195 /nfs/dbraw/zinc/02/61/95/1040026195.db2.gz KJMYWYNXIKXZQK-AYOQOUSVSA-N 1 2 350.466 2.691 20 30 FFEDLO CN1CC[NH+](Cc2ccccc2Nc2cc(C#N)cc([N+](=O)[O-])c2)CC1 ZINC001211327999 1040082575 /nfs/dbraw/zinc/08/25/75/1040082575.db2.gz QQDOLWMUNRTFHF-UHFFFAOYSA-N 1 2 351.410 2.957 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)c(OC)c(F)c2)C[C@H]1C ZINC001211424988 1040182119 /nfs/dbraw/zinc/18/21/19/1040182119.db2.gz GWQCTSKKGVZQGN-PBFPGSCMSA-N 1 2 368.424 2.501 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)c(OC)c(F)c2)C[C@H]1C ZINC001211424988 1040182132 /nfs/dbraw/zinc/18/21/32/1040182132.db2.gz GWQCTSKKGVZQGN-PBFPGSCMSA-N 1 2 368.424 2.501 20 30 FFEDLO C#CC[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1C)c1ccccc1 ZINC001211473649 1040237490 /nfs/dbraw/zinc/23/74/90/1040237490.db2.gz WSJHEUQYEOJIFM-YZGWKJHDSA-N 1 2 362.477 2.610 20 30 FFEDLO C#CC[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ncccn2)C[C@H]1C)c1ccccc1 ZINC001211473649 1040237498 /nfs/dbraw/zinc/23/74/98/1040237498.db2.gz WSJHEUQYEOJIFM-YZGWKJHDSA-N 1 2 362.477 2.610 20 30 FFEDLO C#CC[NH+]1CCN(Cc2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)CC1 ZINC001248738869 1040388141 /nfs/dbraw/zinc/38/81/41/1040388141.db2.gz XWSWWVFDHXBTEO-UHFFFAOYSA-N 1 2 355.482 2.735 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1OC ZINC001213317386 1040443263 /nfs/dbraw/zinc/44/32/63/1040443263.db2.gz HXAHWHOTEPEEFW-MORSLUCNSA-N 1 2 352.425 2.883 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1OC ZINC001213317386 1040443272 /nfs/dbraw/zinc/44/32/72/1040443272.db2.gz HXAHWHOTEPEEFW-MORSLUCNSA-N 1 2 352.425 2.883 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213322431 1040447052 /nfs/dbraw/zinc/44/70/52/1040447052.db2.gz JAPKZDVMMUDVTI-GDIGMMSISA-N 1 2 359.445 2.615 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213322431 1040447064 /nfs/dbraw/zinc/44/70/64/1040447064.db2.gz JAPKZDVMMUDVTI-GDIGMMSISA-N 1 2 359.445 2.615 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)NCC(F)(F)F ZINC001278749468 1040456508 /nfs/dbraw/zinc/45/65/08/1040456508.db2.gz LGGDHWHGORXVHR-GJZGRUSLSA-N 1 2 370.350 2.618 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)NCC(F)(F)F ZINC001278749468 1040456515 /nfs/dbraw/zinc/45/65/15/1040456515.db2.gz LGGDHWHGORXVHR-GJZGRUSLSA-N 1 2 370.350 2.618 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2OC)C[C@H]1OC ZINC001213358762 1040474736 /nfs/dbraw/zinc/47/47/36/1040474736.db2.gz RFSNAHGIIHVFCL-SJLPKXTDSA-N 1 2 350.434 2.506 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2OC)C[C@H]1OC ZINC001213358762 1040474742 /nfs/dbraw/zinc/47/47/42/1040474742.db2.gz RFSNAHGIIHVFCL-SJLPKXTDSA-N 1 2 350.434 2.506 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213389898 1040501866 /nfs/dbraw/zinc/50/18/66/1040501866.db2.gz KRKRKNYQBUAFGY-QWFCFKBJSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213389898 1040501886 /nfs/dbraw/zinc/50/18/86/1040501886.db2.gz KRKRKNYQBUAFGY-QWFCFKBJSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213390266 1040505930 /nfs/dbraw/zinc/50/59/30/1040505930.db2.gz WAJXZQILGGYRKW-SBHAEUEKSA-N 1 2 358.457 2.595 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213390266 1040505944 /nfs/dbraw/zinc/50/59/44/1040505944.db2.gz WAJXZQILGGYRKW-SBHAEUEKSA-N 1 2 358.457 2.595 20 30 FFEDLO CC(C)(C)OC(=O)NCC1(C)C[NH+](Cc2cnn3ccc(C#N)cc23)C1 ZINC001249118609 1040586365 /nfs/dbraw/zinc/58/63/65/1040586365.db2.gz HZKOSHGTWGEIGM-UHFFFAOYSA-N 1 2 355.442 2.553 20 30 FFEDLO CCC[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC)C(C)C ZINC001213509312 1040622743 /nfs/dbraw/zinc/62/27/43/1040622743.db2.gz NMWCJOFPSWIEME-PWRODBHTSA-N 1 2 356.510 2.926 20 30 FFEDLO CCC[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC)C(C)C ZINC001213509312 1040622749 /nfs/dbraw/zinc/62/27/49/1040622749.db2.gz NMWCJOFPSWIEME-PWRODBHTSA-N 1 2 356.510 2.926 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+]([C@@H]2Cc3ccc(Br)cc3C2)CC1 ZINC001254289349 1040660992 /nfs/dbraw/zinc/66/09/92/1040660992.db2.gz SSSLTDFUOPFBQX-OAHLLOKOSA-N 1 2 363.255 2.695 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3nc4ccc(OC)cc4[nH]3)C2)C1=O ZINC001249412786 1040738824 /nfs/dbraw/zinc/73/88/24/1040738824.db2.gz VJHXURDNFJNJIP-HXUWFJFHSA-N 1 2 354.454 2.572 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+](Cc3nc4ccc(OC)cc4[nH]3)C2)C1=O ZINC001249412786 1040738836 /nfs/dbraw/zinc/73/88/36/1040738836.db2.gz VJHXURDNFJNJIP-HXUWFJFHSA-N 1 2 354.454 2.572 20 30 FFEDLO C#CC[NH+]1CCN(Cc2cc3c(c(OCc4ccccc4)c2)OCO3)CC1 ZINC001249510832 1040830672 /nfs/dbraw/zinc/83/06/72/1040830672.db2.gz ALSCQDJPFUOKGE-UHFFFAOYSA-N 1 2 364.445 2.745 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1OC ZINC001213895401 1041037417 /nfs/dbraw/zinc/03/74/17/1041037417.db2.gz YJCGRJDAWCSETM-GHVCLIAHSA-N 1 2 362.901 2.989 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1OC ZINC001213895401 1041037430 /nfs/dbraw/zinc/03/74/30/1041037430.db2.gz YJCGRJDAWCSETM-GHVCLIAHSA-N 1 2 362.901 2.989 20 30 FFEDLO CCCCCCCC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001213895566 1041041326 /nfs/dbraw/zinc/04/13/26/1041041326.db2.gz HRPWWROFHLRUJG-XUVXKRRUSA-N 1 2 366.546 2.838 20 30 FFEDLO CCCCCCCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001213895566 1041041343 /nfs/dbraw/zinc/04/13/43/1041041343.db2.gz HRPWWROFHLRUJG-XUVXKRRUSA-N 1 2 366.546 2.838 20 30 FFEDLO Cc1ccc(Cl)nc1CN1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001278549110 1041103995 /nfs/dbraw/zinc/10/39/95/1041103995.db2.gz XOPAFWQUSOYHNK-UHFFFAOYSA-N 1 2 355.873 2.571 20 30 FFEDLO C=C(C)CN1CC2(CCC1=O)CC[NH+](CC(=O)c1cccc(O)c1)CC2 ZINC001276707685 1041181777 /nfs/dbraw/zinc/18/17/77/1041181777.db2.gz BRPZTIDQLVUZER-UHFFFAOYSA-N 1 2 356.466 2.856 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(Cc3ccccc3)o2)C1 ZINC001215436481 1041781401 /nfs/dbraw/zinc/78/14/01/1041781401.db2.gz SWZZRGGKJUYREC-SJLPKXTDSA-N 1 2 368.481 2.953 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@H](C2CCCCC2)C1 ZINC001262947165 1041982406 /nfs/dbraw/zinc/98/24/06/1041982406.db2.gz GUAQVDYQFBUSFY-FHWLQOOXSA-N 1 2 373.545 2.998 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@H](C2CCCCC2)C1 ZINC001262947165 1041982408 /nfs/dbraw/zinc/98/24/08/1041982408.db2.gz GUAQVDYQFBUSFY-FHWLQOOXSA-N 1 2 373.545 2.998 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2cccs2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001262987757 1042011779 /nfs/dbraw/zinc/01/17/79/1042011779.db2.gz GCRPIWCAFIDXDK-QWQRMKEZSA-N 1 2 361.515 2.635 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2cccs2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001262987757 1042011783 /nfs/dbraw/zinc/01/17/83/1042011783.db2.gz GCRPIWCAFIDXDK-QWQRMKEZSA-N 1 2 361.515 2.635 20 30 FFEDLO C=CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CC)no2)C1)c1ccccc1 ZINC001216806339 1042128198 /nfs/dbraw/zinc/12/81/98/1042128198.db2.gz LFLGZDJTTRHXNZ-BPQIPLTHSA-N 1 2 368.481 2.928 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@H](c2nccs2)C1 ZINC001263288307 1042223182 /nfs/dbraw/zinc/22/31/82/1042223182.db2.gz NMQCRRAIXANATH-AWEZNQCLSA-N 1 2 369.498 2.629 20 30 FFEDLO CC(C)Cn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1C(C)(C)CC#N ZINC001263403511 1042285137 /nfs/dbraw/zinc/28/51/37/1042285137.db2.gz FVPVSOQSEAKXRF-UHFFFAOYSA-N 1 2 367.501 2.847 20 30 FFEDLO C[C@@]1(C#N)CCCN(c2nnc(C[NH+]3CCCCC3)n2C[C@@H]2CCCO2)C1 ZINC001263462293 1042325477 /nfs/dbraw/zinc/32/54/77/1042325477.db2.gz JDOREVNUKZLVNC-PXNSSMCTSA-N 1 2 372.517 2.573 20 30 FFEDLO Cc1cc(C)nc(C(=O)OCC#Cc2csc(C[NH+]3CCOCC3)c2)c1 ZINC001263660625 1042423643 /nfs/dbraw/zinc/42/36/43/1042423643.db2.gz KZPXKVHITYADIC-UHFFFAOYSA-N 1 2 370.474 2.801 20 30 FFEDLO C#CCCCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(C2CCC2)no1 ZINC001263986868 1042565690 /nfs/dbraw/zinc/56/56/90/1042565690.db2.gz VWXMWJMWHIEMGX-WBVHZDCISA-N 1 2 358.486 2.857 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C#N)CC[N@@H+]1Cc1ccn(-c2ccccc2)n1 ZINC001264047709 1042596611 /nfs/dbraw/zinc/59/66/11/1042596611.db2.gz NVHRBHQAPCTSPB-ZYSHUDEJSA-N 1 2 351.454 2.501 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C#N)CC[N@H+]1Cc1ccn(-c2ccccc2)n1 ZINC001264047709 1042596614 /nfs/dbraw/zinc/59/66/14/1042596614.db2.gz NVHRBHQAPCTSPB-ZYSHUDEJSA-N 1 2 351.454 2.501 20 30 FFEDLO CCC[C@@H](OC)C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001264059741 1042604964 /nfs/dbraw/zinc/60/49/64/1042604964.db2.gz WLRBYMKZTNWYKW-IPMKNSEASA-N 1 2 361.461 2.982 20 30 FFEDLO CCC[C@@H](OC)C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001264059741 1042604968 /nfs/dbraw/zinc/60/49/68/1042604968.db2.gz WLRBYMKZTNWYKW-IPMKNSEASA-N 1 2 361.461 2.982 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2csc(COC)n2)[C@@H]1CC ZINC001264060573 1042605348 /nfs/dbraw/zinc/60/53/48/1042605348.db2.gz GCPWWSJTYCJOGM-LSDHHAIUSA-N 1 2 351.516 2.971 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2csc(COC)n2)[C@@H]1CC ZINC001264060573 1042605350 /nfs/dbraw/zinc/60/53/50/1042605350.db2.gz GCPWWSJTYCJOGM-LSDHHAIUSA-N 1 2 351.516 2.971 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001264374518 1042667542 /nfs/dbraw/zinc/66/75/42/1042667542.db2.gz IWASFWOIKYWMCH-CEXWTWQISA-N 1 2 360.885 2.626 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001264374518 1042667544 /nfs/dbraw/zinc/66/75/44/1042667544.db2.gz IWASFWOIKYWMCH-CEXWTWQISA-N 1 2 360.885 2.626 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CC[N@@H+]1Cc1nc(-c2ccccc2)no1 ZINC001264700031 1042786121 /nfs/dbraw/zinc/78/61/21/1042786121.db2.gz PVCQSDSSTKWNAF-WBVHZDCISA-N 1 2 366.465 2.865 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CC[N@H+]1Cc1nc(-c2ccccc2)no1 ZINC001264700031 1042786124 /nfs/dbraw/zinc/78/61/24/1042786124.db2.gz PVCQSDSSTKWNAF-WBVHZDCISA-N 1 2 366.465 2.865 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1CC[N@H+](Cc2csc(C(C)(C)C)n2)[C@@H]1C ZINC001264699694 1042786613 /nfs/dbraw/zinc/78/66/13/1042786613.db2.gz BLXGKWWUCHBUQQ-ZBFHGGJFSA-N 1 2 363.527 2.560 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1CC[N@@H+](Cc2csc(C(C)(C)C)n2)[C@@H]1C ZINC001264699694 1042786618 /nfs/dbraw/zinc/78/66/18/1042786618.db2.gz BLXGKWWUCHBUQQ-ZBFHGGJFSA-N 1 2 363.527 2.560 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[N@@H+](C)[C@@H](C)c1nc(C(C)C)no1 ZINC001265937144 1042887661 /nfs/dbraw/zinc/88/76/61/1042887661.db2.gz UPUYGCDICACDTD-JYJNAYRXSA-N 1 2 364.490 2.673 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[N@H+](C)[C@@H](C)c1nc(C(C)C)no1 ZINC001265937144 1042887664 /nfs/dbraw/zinc/88/76/64/1042887664.db2.gz UPUYGCDICACDTD-JYJNAYRXSA-N 1 2 364.490 2.673 20 30 FFEDLO Cn1cc(CN2C[C@@H]3CC[N@H+](Cc4ccc(F)cc4F)[C@@H]3C2)cc1C#N ZINC001279212234 1042946382 /nfs/dbraw/zinc/94/63/82/1042946382.db2.gz DKEVMMPXWNRLGS-OXJNMPFZSA-N 1 2 356.420 2.881 20 30 FFEDLO Cn1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccc(F)cc4F)[C@@H]3C2)cc1C#N ZINC001279212234 1042946385 /nfs/dbraw/zinc/94/63/85/1042946385.db2.gz DKEVMMPXWNRLGS-OXJNMPFZSA-N 1 2 356.420 2.881 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccccc1NC(C)=O)CC2 ZINC001237412495 1043148102 /nfs/dbraw/zinc/14/81/02/1043148102.db2.gz XPGFBHOBZOMBQQ-UHFFFAOYSA-N 1 2 354.454 2.639 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccccc1NC(C)=O)CC2 ZINC001237412495 1043148106 /nfs/dbraw/zinc/14/81/06/1043148106.db2.gz XPGFBHOBZOMBQQ-UHFFFAOYSA-N 1 2 354.454 2.639 20 30 FFEDLO Cn1cc(C[NH+]2CCN(c3nccnc3Cl)CC2)c2cc(C#N)ccc21 ZINC001237466341 1043182059 /nfs/dbraw/zinc/18/20/59/1043182059.db2.gz MJPWUDKTSGXPAD-UHFFFAOYSA-N 1 2 366.856 2.816 20 30 FFEDLO C#Cc1cccc(C(=O)N2C[C@@H]3C[N@H+](CCCC(F)(F)F)C[C@H](C2)O3)c1 ZINC001278102642 1043186718 /nfs/dbraw/zinc/18/67/18/1043186718.db2.gz ABCRGJXDYIKOHV-CALCHBBNSA-N 1 2 366.383 2.536 20 30 FFEDLO C#Cc1cccc(C(=O)N2C[C@@H]3C[N@@H+](CCCC(F)(F)F)C[C@H](C2)O3)c1 ZINC001278102642 1043186722 /nfs/dbraw/zinc/18/67/22/1043186722.db2.gz ABCRGJXDYIKOHV-CALCHBBNSA-N 1 2 366.383 2.536 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@]12CC[N@H+](Cc1cn3cc(C#N)ccc3n1)C2 ZINC001237605160 1043263853 /nfs/dbraw/zinc/26/38/53/1043263853.db2.gz VWTKILULAHKMSM-FQEVSTJZSA-N 1 2 367.453 2.791 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@]12CC[N@@H+](Cc1cn3cc(C#N)ccc3n1)C2 ZINC001237605160 1043263867 /nfs/dbraw/zinc/26/38/67/1043263867.db2.gz VWTKILULAHKMSM-FQEVSTJZSA-N 1 2 367.453 2.791 20 30 FFEDLO CCOC(=O)Cc1ccc2c(c1)C[N@@H+](Cc1cn3cc(C#N)ccc3n1)CC2 ZINC001237609469 1043268323 /nfs/dbraw/zinc/26/83/23/1043268323.db2.gz SBMDRTJNQSIEEB-UHFFFAOYSA-N 1 2 374.444 2.870 20 30 FFEDLO CCOC(=O)Cc1ccc2c(c1)C[N@H+](Cc1cn3cc(C#N)ccc3n1)CC2 ZINC001237609469 1043268328 /nfs/dbraw/zinc/26/83/28/1043268328.db2.gz SBMDRTJNQSIEEB-UHFFFAOYSA-N 1 2 374.444 2.870 20 30 FFEDLO N#Cc1ccc2nc(C[N@H+]3CCC[C@@H](N4Cc5ccccc5C4=O)C3)cn2c1 ZINC001237610714 1043269732 /nfs/dbraw/zinc/26/97/32/1043269732.db2.gz LZPSXZBIYMJVSD-LJQANCHMSA-N 1 2 371.444 2.826 20 30 FFEDLO N#Cc1ccc2nc(C[N@@H+]3CCC[C@@H](N4Cc5ccccc5C4=O)C3)cn2c1 ZINC001237610714 1043269744 /nfs/dbraw/zinc/26/97/44/1043269744.db2.gz LZPSXZBIYMJVSD-LJQANCHMSA-N 1 2 371.444 2.826 20 30 FFEDLO N#Cc1ccc2nc(C[NH+]3CCC(N4Cc5ccccc5C4=O)CC3)cn2c1 ZINC001237612391 1043271567 /nfs/dbraw/zinc/27/15/67/1043271567.db2.gz XDLHCMMDAQJENA-UHFFFAOYSA-N 1 2 371.444 2.826 20 30 FFEDLO N#Cc1ccc(CCN2C[C@@H]3C[N@H+](CCCC(F)(F)F)C[C@H](C2)O3)cc1 ZINC001278167850 1043454821 /nfs/dbraw/zinc/45/48/21/1043454821.db2.gz SOHUWEDOQWTQIO-HDICACEKSA-N 1 2 367.415 2.828 20 30 FFEDLO N#Cc1ccc(CCN2C[C@@H]3C[N@@H+](CCCC(F)(F)F)C[C@H](C2)O3)cc1 ZINC001278167850 1043454824 /nfs/dbraw/zinc/45/48/24/1043454824.db2.gz SOHUWEDOQWTQIO-HDICACEKSA-N 1 2 367.415 2.828 20 30 FFEDLO CN(C)c1ccc(CN2CC3(CC[N@@H+]3Cc3ccc[nH]3)C2)c(F)c1C#N ZINC001279698393 1043489701 /nfs/dbraw/zinc/48/97/01/1043489701.db2.gz LJRMECHBSKSDHI-UHFFFAOYSA-N 1 2 353.445 2.552 20 30 FFEDLO CN(C)c1ccc(CN2CC3(CC[N@H+]3Cc3ccc[nH]3)C2)c(F)c1C#N ZINC001279698393 1043489703 /nfs/dbraw/zinc/48/97/03/1043489703.db2.gz LJRMECHBSKSDHI-UHFFFAOYSA-N 1 2 353.445 2.552 20 30 FFEDLO N#CC1(NC(=O)[C@]23C[C@H]2CC[N@H+]3CCc2cc(F)c(F)cc2F)CCC1 ZINC001279740778 1043565543 /nfs/dbraw/zinc/56/55/43/1043565543.db2.gz FBOUDERNKZQKSF-YJYMSZOUSA-N 1 2 363.383 2.673 20 30 FFEDLO N#CC1(NC(=O)[C@]23C[C@H]2CC[N@@H+]3CCc2cc(F)c(F)cc2F)CCC1 ZINC001279740778 1043565553 /nfs/dbraw/zinc/56/55/53/1043565553.db2.gz FBOUDERNKZQKSF-YJYMSZOUSA-N 1 2 363.383 2.673 20 30 FFEDLO N#Cc1cc(C[NH+]2CC3(C2)CCN(C(=O)c2cccnc2)C3)ccc1Cl ZINC001238193715 1043602301 /nfs/dbraw/zinc/60/23/01/1043602301.db2.gz FOBFTMLUROGVIB-UHFFFAOYSA-N 1 2 366.852 2.955 20 30 FFEDLO Cc1cc(C[NH+]2CC3(C2)CCCN(c2cc(C#N)ccc2F)C3)n(C)n1 ZINC001279767031 1043610905 /nfs/dbraw/zinc/61/09/05/1043610905.db2.gz JTOWRGGMJMIARL-UHFFFAOYSA-N 1 2 353.445 2.842 20 30 FFEDLO N#Cc1ccc(F)c(N2CCC[C@@]3(C2)C[N@H+](Cc2ccc[nH]2)CCO3)c1 ZINC001279767883 1043611155 /nfs/dbraw/zinc/61/11/55/1043611155.db2.gz YMXRNRSUIITWNF-FQEVSTJZSA-N 1 2 354.429 2.897 20 30 FFEDLO N#Cc1ccc(F)c(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccc[nH]2)CCO3)c1 ZINC001279767883 1043611159 /nfs/dbraw/zinc/61/11/59/1043611159.db2.gz YMXRNRSUIITWNF-FQEVSTJZSA-N 1 2 354.429 2.897 20 30 FFEDLO Cc1ccsc1C[N@@H+]1CCc2onc(C(=O)N3CC(CC#N)C3)c2C1 ZINC001279780860 1043631797 /nfs/dbraw/zinc/63/17/97/1043631797.db2.gz PUYDTSDCFRLXJX-UHFFFAOYSA-N 1 2 356.451 2.589 20 30 FFEDLO Cc1ccsc1C[N@H+]1CCc2onc(C(=O)N3CC(CC#N)C3)c2C1 ZINC001279780860 1043631805 /nfs/dbraw/zinc/63/18/05/1043631805.db2.gz PUYDTSDCFRLXJX-UHFFFAOYSA-N 1 2 356.451 2.589 20 30 FFEDLO COc1cc(C[N@@H+]2CCC[C@H]2C(=O)NC(=O)OC(C)(C)C)ccc1C#N ZINC001238413287 1043694135 /nfs/dbraw/zinc/69/41/35/1043694135.db2.gz OGVCBGKJLKEMCO-HNNXBMFYSA-N 1 2 359.426 2.583 20 30 FFEDLO COc1cc(C[N@H+]2CCC[C@H]2C(=O)NC(=O)OC(C)(C)C)ccc1C#N ZINC001238413287 1043694138 /nfs/dbraw/zinc/69/41/38/1043694138.db2.gz OGVCBGKJLKEMCO-HNNXBMFYSA-N 1 2 359.426 2.583 20 30 FFEDLO CCCCCCCCNC(=S)N1CC[C@H]2[C@@H]1CC[N@@H+]2COCCOC ZINC001279924993 1043927796 /nfs/dbraw/zinc/92/77/96/1043927796.db2.gz LCANIWAHMMPIQA-ROUUACIJSA-N 1 2 371.591 2.991 20 30 FFEDLO CCCCCCCCNC(=S)N1CC[C@H]2[C@@H]1CC[N@H+]2COCCOC ZINC001279924993 1043927806 /nfs/dbraw/zinc/92/78/06/1043927806.db2.gz LCANIWAHMMPIQA-ROUUACIJSA-N 1 2 371.591 2.991 20 30 FFEDLO CC(C)(C)NC(=O)C[C@H]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3C#N)C[C@@H]2O1 ZINC001280095807 1044199653 /nfs/dbraw/zinc/19/96/53/1044199653.db2.gz FEKVIEODLZWSAI-NXHRZFHOSA-N 1 2 359.445 2.591 20 30 FFEDLO CC(C)(C)NC(=O)C[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3C#N)C[C@@H]2O1 ZINC001280095807 1044199655 /nfs/dbraw/zinc/19/96/55/1044199655.db2.gz FEKVIEODLZWSAI-NXHRZFHOSA-N 1 2 359.445 2.591 20 30 FFEDLO CCn1ccnc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1c(Cl)cccc1C#N ZINC001278313727 1044339356 /nfs/dbraw/zinc/33/93/56/1044339356.db2.gz GMKSLJGCGTUIOX-IYBDPMFKSA-N 1 2 355.873 2.887 20 30 FFEDLO CCn1ccnc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1c(Cl)cccc1C#N ZINC001278313727 1044339372 /nfs/dbraw/zinc/33/93/72/1044339372.db2.gz GMKSLJGCGTUIOX-IYBDPMFKSA-N 1 2 355.873 2.887 20 30 FFEDLO CC/C=C\CCC[N@@H+]1Cc2ccnn2CC[C@@H]1C(=O)NC1(C#N)CCC1 ZINC001280220335 1044413293 /nfs/dbraw/zinc/41/32/93/1044413293.db2.gz CZXXYWYRUVWWGX-DDKKJVIOSA-N 1 2 355.486 2.766 20 30 FFEDLO CC/C=C\CCC[N@H+]1Cc2ccnn2CC[C@@H]1C(=O)NC1(C#N)CCC1 ZINC001280220335 1044413300 /nfs/dbraw/zinc/41/33/00/1044413300.db2.gz CZXXYWYRUVWWGX-DDKKJVIOSA-N 1 2 355.486 2.766 20 30 FFEDLO C#CCN(C)c1nnc([C@@H]2CCCOC2)n1CCCc1cccc(C)[nH+]1 ZINC001539176601 1070579302 /nfs/dbraw/zinc/57/93/02/1070579302.db2.gz RKQHYQCHWKGBRL-QGZVFWFLSA-N 1 2 353.470 2.578 20 30 FFEDLO C=CCOc1ccccc1C[N@@H+]1CC[C@@H]2C[C@@]21C(=O)NC1(C#N)CCC1 ZINC001280278733 1044528984 /nfs/dbraw/zinc/52/89/84/1044528984.db2.gz QLQRBRQLTPMZNO-UTKZUKDTSA-N 1 2 351.450 2.778 20 30 FFEDLO C=CCOc1ccccc1C[N@H+]1CC[C@@H]2C[C@@]21C(=O)NC1(C#N)CCC1 ZINC001280278733 1044529002 /nfs/dbraw/zinc/52/90/02/1044529002.db2.gz QLQRBRQLTPMZNO-UTKZUKDTSA-N 1 2 351.450 2.778 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3cccc4[nH]c(C#N)cc43)cn2)CC1 ZINC001241560220 1044545274 /nfs/dbraw/zinc/54/52/74/1044545274.db2.gz KLTOGZCDVHVDFG-UHFFFAOYSA-N 1 2 360.465 2.761 20 30 FFEDLO CO/N=C/c1cc(-c2ccc(NCC[NH+]3CCN(C)CC3)nc2)ccc1F ZINC001241568822 1044554652 /nfs/dbraw/zinc/55/46/52/1044554652.db2.gz SGHHWQSCHZTMMH-BUVRLJJBSA-N 1 2 371.460 2.527 20 30 FFEDLO Cc1nc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](NC(=O)[C@H](C)C#N)C2)oc1C ZINC001316719582 1044598586 /nfs/dbraw/zinc/59/85/86/1044598586.db2.gz LSNXPTHHGNKYRM-NIKGAXFTSA-N 1 2 366.465 2.925 20 30 FFEDLO Cc1nc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](NC(=O)[C@H](C)C#N)C2)oc1C ZINC001316719582 1044598599 /nfs/dbraw/zinc/59/85/99/1044598599.db2.gz LSNXPTHHGNKYRM-NIKGAXFTSA-N 1 2 366.465 2.925 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001280393826 1044647280 /nfs/dbraw/zinc/64/72/80/1044647280.db2.gz REFNVKMBNXUTGE-ARFHVFGLSA-N 1 2 360.502 2.716 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001280393826 1044647285 /nfs/dbraw/zinc/64/72/85/1044647285.db2.gz REFNVKMBNXUTGE-ARFHVFGLSA-N 1 2 360.502 2.716 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2cnc(CC(C)(C)C)s2)[C@H]1C ZINC001316793959 1044999144 /nfs/dbraw/zinc/99/91/44/1044999144.db2.gz FSYHUFZSHMXJCC-CABCVRRESA-N 1 2 363.527 2.574 20 30 FFEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)c2cnc(CC(C)(C)C)s2)[C@H]1C ZINC001316793959 1044999152 /nfs/dbraw/zinc/99/91/52/1044999152.db2.gz FSYHUFZSHMXJCC-CABCVRRESA-N 1 2 363.527 2.574 20 30 FFEDLO N#Cc1ccc(-c2ccc(OCC[NH+]3CCOCC3)cc2F)c(C#N)c1 ZINC001244135537 1045086586 /nfs/dbraw/zinc/08/65/86/1045086586.db2.gz PJUITEPWJKCVSL-UHFFFAOYSA-N 1 2 351.381 2.947 20 30 FFEDLO C=C[C@H](COC)NC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001320295004 1045384958 /nfs/dbraw/zinc/38/49/58/1045384958.db2.gz SVNOLHBIKRBPMP-HZPDHXFCSA-N 1 2 369.868 2.944 20 30 FFEDLO C=C[C@H](COC)NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001320295004 1045384960 /nfs/dbraw/zinc/38/49/60/1045384960.db2.gz SVNOLHBIKRBPMP-HZPDHXFCSA-N 1 2 369.868 2.944 20 30 FFEDLO C#CCO[C@H](C)C(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001325165218 1046399743 /nfs/dbraw/zinc/39/97/43/1046399743.db2.gz HQCGQQKWCHOKRK-QGZVFWFLSA-N 1 2 372.513 2.764 20 30 FFEDLO N#Cc1cc(Cl)c(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC001540271387 1070812108 /nfs/dbraw/zinc/81/21/08/1070812108.db2.gz PJDGHXNYZQECKJ-ZDUSSCGKSA-N 1 2 368.264 2.802 20 30 FFEDLO N#CCOc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)c1 ZINC001326813895 1047099978 /nfs/dbraw/zinc/09/99/78/1047099978.db2.gz WOVFBAFDBBUSLA-LJQANCHMSA-N 1 2 350.422 2.977 20 30 FFEDLO N#CCOc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)c1 ZINC001326813895 1047099987 /nfs/dbraw/zinc/09/99/87/1047099987.db2.gz WOVFBAFDBBUSLA-LJQANCHMSA-N 1 2 350.422 2.977 20 30 FFEDLO C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2Cc2c[nH+]ccc2OC)C1 ZINC001286807843 1047180858 /nfs/dbraw/zinc/18/08/58/1047180858.db2.gz SLRAKEAEMKARHI-QGZVFWFLSA-N 1 2 371.485 2.710 20 30 FFEDLO C#Cc1ccc(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)cn1 ZINC001288600754 1047484485 /nfs/dbraw/zinc/48/44/85/1047484485.db2.gz RBODDZLLHDBSBB-UHFFFAOYSA-N 1 2 356.429 2.895 20 30 FFEDLO Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1CCc1cn2ccccc2[nH+]1 ZINC001290715720 1048339120 /nfs/dbraw/zinc/33/91/20/1048339120.db2.gz ATIQSGRXMCMZOO-UHFFFAOYSA-N 1 2 371.448 2.985 20 30 FFEDLO C=CCCCC(=O)NC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001290982938 1048571137 /nfs/dbraw/zinc/57/11/37/1048571137.db2.gz WQNKLGKFTWTZGQ-GDBMZVCRSA-N 1 2 354.454 2.744 20 30 FFEDLO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)O[C@H](C)C(=O)N(C)CCC#N)c1 ZINC001330155237 1049060609 /nfs/dbraw/zinc/06/06/09/1049060609.db2.gz GXAMAQFCJLVYBB-IEBWSBKVSA-N 1 2 371.481 2.653 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)O[C@H](C)C(=O)N(C)CCC#N)c1 ZINC001330155237 1049060615 /nfs/dbraw/zinc/06/06/15/1049060615.db2.gz GXAMAQFCJLVYBB-IEBWSBKVSA-N 1 2 371.481 2.653 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCn1cc[nH+]c1 ZINC001292215648 1049187097 /nfs/dbraw/zinc/18/70/97/1049187097.db2.gz IANJWZBHFJYSBX-WWNBULGVSA-N 1 2 358.486 2.514 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001292279139 1049238623 /nfs/dbraw/zinc/23/86/23/1049238623.db2.gz LWGNYDIIIIXVIN-UWVAXJGDSA-N 1 2 358.486 2.688 20 30 FFEDLO C=CCn1c(=S)n(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)nc1-c1ccccn1 ZINC001331073705 1049461582 /nfs/dbraw/zinc/46/15/82/1049461582.db2.gz YPCCQUJIBUXSFS-OKILXGFUSA-N 1 2 359.524 2.914 20 30 FFEDLO C=CCn1c(=S)n(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)nc1-c1ccccn1 ZINC001331073705 1049461586 /nfs/dbraw/zinc/46/15/86/1049461586.db2.gz YPCCQUJIBUXSFS-OKILXGFUSA-N 1 2 359.524 2.914 20 30 FFEDLO Cc1cc(C(=O)NC2CC[NH+](CC#Cc3ccccc3Cl)CC2)no1 ZINC001331253483 1049532096 /nfs/dbraw/zinc/53/20/96/1049532096.db2.gz OSVYFEHYLKIPRT-UHFFFAOYSA-N 1 2 357.841 2.882 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N(Cc1ccccc1)C(C)C ZINC001340252574 1050659584 /nfs/dbraw/zinc/65/95/84/1050659584.db2.gz RJPHHGPJOXCLBU-ZWKOTPCHSA-N 1 2 355.486 2.617 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N(Cc1ccccc1)C(C)C ZINC001340252574 1050659588 /nfs/dbraw/zinc/65/95/88/1050659588.db2.gz RJPHHGPJOXCLBU-ZWKOTPCHSA-N 1 2 355.486 2.617 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001340264695 1050669951 /nfs/dbraw/zinc/66/99/51/1050669951.db2.gz UAOVAJPVZCWVRK-CYBMUJFWSA-N 1 2 373.423 2.515 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001340264695 1050669954 /nfs/dbraw/zinc/66/99/54/1050669954.db2.gz UAOVAJPVZCWVRK-CYBMUJFWSA-N 1 2 373.423 2.515 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC[C@@H](c2cccc(C)c2)C1 ZINC001340376157 1050769703 /nfs/dbraw/zinc/76/97/03/1050769703.db2.gz WDVFVNKUDZONQZ-QYZOEREBSA-N 1 2 367.497 2.504 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC[C@@H](c2cccc(C)c2)C1 ZINC001340376157 1050769711 /nfs/dbraw/zinc/76/97/11/1050769711.db2.gz WDVFVNKUDZONQZ-QYZOEREBSA-N 1 2 367.497 2.504 20 30 FFEDLO C=CCn1c([C@H](C)SC)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001340415051 1050810978 /nfs/dbraw/zinc/81/09/78/1050810978.db2.gz MVVTXLBICRZHSU-ZDUSSCGKSA-N 1 2 358.515 2.912 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@H](c2noc(C)n2)C1 ZINC001342232847 1050822572 /nfs/dbraw/zinc/82/25/72/1050822572.db2.gz DVKUUIYOTSOSEI-MRXNPFEDSA-N 1 2 371.489 2.525 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC(CCCO)CC1 ZINC001342234179 1050824192 /nfs/dbraw/zinc/82/41/92/1050824192.db2.gz SOUOSCFLMNPUTO-UHFFFAOYSA-N 1 2 361.534 2.829 20 30 FFEDLO N#C[C@@]1(F)CCN(c2nnc(C[NH+]3CCCC3)n2CCc2ccccc2)C1 ZINC001342273857 1050864892 /nfs/dbraw/zinc/86/48/92/1050864892.db2.gz YNDWLZQJAJEYDY-FQEVSTJZSA-N 1 2 368.460 2.559 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001340526159 1050918791 /nfs/dbraw/zinc/91/87/91/1050918791.db2.gz MRXKURXNHMRBMA-IAGOWNOFSA-N 1 2 360.502 2.956 20 30 FFEDLO COCCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)[C@@H](C)CC#N ZINC001342343714 1050937935 /nfs/dbraw/zinc/93/79/35/1050937935.db2.gz CJNLYWQYFYLTCZ-DLBZAZTESA-N 1 2 370.501 2.856 20 30 FFEDLO COCCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)[C@@H](C)CC#N ZINC001342343714 1050937947 /nfs/dbraw/zinc/93/79/47/1050937947.db2.gz CJNLYWQYFYLTCZ-DLBZAZTESA-N 1 2 370.501 2.856 20 30 FFEDLO C=CCn1c(N2CCCC3(CCCCC3)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340560604 1050948014 /nfs/dbraw/zinc/94/80/14/1050948014.db2.gz ZHDVHTNPSGBVSE-YLJYHZDGSA-N 1 2 373.545 2.926 20 30 FFEDLO C=CCn1c(N2CCCC3(CCCCC3)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340560604 1050948024 /nfs/dbraw/zinc/94/80/24/1050948024.db2.gz ZHDVHTNPSGBVSE-YLJYHZDGSA-N 1 2 373.545 2.926 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccccc2C)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001342383606 1050978215 /nfs/dbraw/zinc/97/82/15/1050978215.db2.gz FLWQPLQIRXPTCX-CBGDNZLLSA-N 1 2 369.513 2.882 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccccc2C)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001342383606 1050978228 /nfs/dbraw/zinc/97/82/28/1050978228.db2.gz FLWQPLQIRXPTCX-CBGDNZLLSA-N 1 2 369.513 2.882 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC001342414649 1051008683 /nfs/dbraw/zinc/00/86/83/1051008683.db2.gz DYJMUXZUGJUJPT-GOSISDBHSA-N 1 2 362.481 2.857 20 30 FFEDLO N#Cc1ccc(OCc2ccc(C(=O)N3CCc4cc[nH+]c(N)c4C3)o2)cc1 ZINC001302092044 1051040953 /nfs/dbraw/zinc/04/09/53/1051040953.db2.gz GMXWWNWSWJTBAN-UHFFFAOYSA-N 1 2 374.400 2.906 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC001340732346 1051091200 /nfs/dbraw/zinc/09/12/00/1051091200.db2.gz FBJBOVSYSNFRPC-ASKKUZCQSA-N 1 2 352.486 2.661 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[C@H](c2nccs2)C1 ZINC001342533453 1051136551 /nfs/dbraw/zinc/13/65/51/1051136551.db2.gz REULVNGMAFRHNL-HNNXBMFYSA-N 1 2 358.515 2.900 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1ccccc1OC ZINC001342543689 1051147181 /nfs/dbraw/zinc/14/71/81/1051147181.db2.gz XQLSCFOIYGJBSN-UHFFFAOYSA-N 1 2 366.469 2.824 20 30 FFEDLO C=CCN(C)c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1C[C@H]1CCCO1 ZINC001343163918 1051788138 /nfs/dbraw/zinc/78/81/38/1051788138.db2.gz BPKWRQLMCMLLQN-IAGOWNOFSA-N 1 2 358.490 2.911 20 30 FFEDLO CCOCCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)C1CCC1 ZINC001343224936 1052081461 /nfs/dbraw/zinc/08/14/61/1052081461.db2.gz JWNJDVCHFXZYMH-UHFFFAOYSA-N 1 2 374.533 2.786 20 30 FFEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CCCF ZINC001345111592 1052265146 /nfs/dbraw/zinc/26/51/46/1052265146.db2.gz YGGJTEJWILFPDC-UHFFFAOYSA-N 1 2 350.486 2.823 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC001343935994 1052498759 /nfs/dbraw/zinc/49/87/59/1052498759.db2.gz NCISMAOUXMBNFG-FUHWJXTLSA-N 1 2 359.518 2.844 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](Cn1c(CC3CC3)nnc1N(C)C[C@H](C)C#N)CCC2 ZINC001542831745 1071314977 /nfs/dbraw/zinc/31/49/77/1071314977.db2.gz BHIZBNLNGFGUGY-RHSMWYFYSA-N 1 2 367.501 2.909 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc(C[NH+]2CCCC2)n1C[C@@H]1CCOC1 ZINC001345665071 1052565951 /nfs/dbraw/zinc/56/59/51/1052565951.db2.gz BFEIFVDJYHCAHI-SFHVURJKSA-N 1 2 374.533 2.677 20 30 FFEDLO CCOCCCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(CC#N)CC1 ZINC001344109163 1052601515 /nfs/dbraw/zinc/60/15/15/1052601515.db2.gz IRJUNTQACVRAEN-GOSISDBHSA-N 1 2 374.533 2.992 20 30 FFEDLO CCOCCCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(CC#N)CC1 ZINC001344109163 1052601519 /nfs/dbraw/zinc/60/15/19/1052601519.db2.gz IRJUNTQACVRAEN-GOSISDBHSA-N 1 2 374.533 2.992 20 30 FFEDLO CN(c1nnc(C[NH+]2CCCCC2)n1C[C@@H]1CCCO1)[C@@H]1CCC[C@H]1C#N ZINC001344118000 1052607221 /nfs/dbraw/zinc/60/72/21/1052607221.db2.gz JLUOZBVBXYWJSW-OKZBNKHCSA-N 1 2 372.517 2.571 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](C)CC(C)(C)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001345961745 1052686214 /nfs/dbraw/zinc/68/62/14/1052686214.db2.gz LEUFWAKJQHUXEL-GUXCAODWSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](C)CC(C)(C)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001345961745 1052686218 /nfs/dbraw/zinc/68/62/18/1052686218.db2.gz LEUFWAKJQHUXEL-GUXCAODWSA-N 1 2 361.534 2.638 20 30 FFEDLO N#CC1CCN(c2nnc(C[NH+]3CCCCC3)n2C[C@H]2CCCCO2)CC1 ZINC001345973415 1052690908 /nfs/dbraw/zinc/69/09/08/1052690908.db2.gz QEONQMCADHBFFM-GOSISDBHSA-N 1 2 372.517 2.573 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2C[C@H]2CCCO2)C1 ZINC001344587256 1052847099 /nfs/dbraw/zinc/84/70/99/1052847099.db2.gz PTKOLWMTIURTGJ-QZTJIDSGSA-N 1 2 359.518 2.845 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)CCCSC ZINC001346657786 1053192253 /nfs/dbraw/zinc/19/22/53/1053192253.db2.gz PLQKYHASPACKFH-INIZCTEOSA-N 1 2 367.563 2.825 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)CCCSC ZINC001346657786 1053192258 /nfs/dbraw/zinc/19/22/58/1053192258.db2.gz PLQKYHASPACKFH-INIZCTEOSA-N 1 2 367.563 2.825 20 30 FFEDLO Cn1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C(F)F)n1 ZINC001346680207 1053214583 /nfs/dbraw/zinc/21/45/83/1053214583.db2.gz WJLYIXOHUPFSBD-UHFFFAOYSA-N 1 2 374.395 2.579 20 30 FFEDLO CC[C@@H](C)[C@H](OC)C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001346719721 1053256347 /nfs/dbraw/zinc/25/63/47/1053256347.db2.gz DBVMLCUWIVGBQA-QAPCUYQASA-N 1 2 365.495 2.536 20 30 FFEDLO C[C@]1(C#N)CCCN(c2nnc(C[NH+]3CCCC3)n2C[C@H]2CCCCO2)C1 ZINC001347024181 1053546439 /nfs/dbraw/zinc/54/64/39/1053546439.db2.gz REFVWLVULMZTDF-YLJYHZDGSA-N 1 2 372.517 2.573 20 30 FFEDLO C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C[C@@H]1CCCCO1 ZINC001347213505 1053726155 /nfs/dbraw/zinc/72/61/55/1053726155.db2.gz PCBCYLHTWJDJTR-IKGGRYGDSA-N 1 2 360.506 2.742 20 30 FFEDLO C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1C[C@@H]1CCCCO1 ZINC001347213505 1053726169 /nfs/dbraw/zinc/72/61/69/1053726169.db2.gz PCBCYLHTWJDJTR-IKGGRYGDSA-N 1 2 360.506 2.742 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1 ZINC001337649419 1054920049 /nfs/dbraw/zinc/92/00/49/1054920049.db2.gz IXLIFEUGNFABHO-INIZCTEOSA-N 1 2 369.465 2.561 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1 ZINC001337649419 1054920058 /nfs/dbraw/zinc/92/00/58/1054920058.db2.gz IXLIFEUGNFABHO-INIZCTEOSA-N 1 2 369.465 2.561 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@@H]1CC[C@@H]1OC ZINC001356210934 1055388519 /nfs/dbraw/zinc/38/85/19/1055388519.db2.gz SCNITJNFKQJOBX-MSOLQXFVSA-N 1 2 372.517 2.561 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2ccsc2C1 ZINC001338297800 1055397693 /nfs/dbraw/zinc/39/76/93/1055397693.db2.gz MYSLCLRAJPUQHH-UHFFFAOYSA-N 1 2 356.499 2.532 20 30 FFEDLO C=CCO[C@H]1CCN(c2nnc([C@@H](CC(C)C)n3cc[nH+]c3)n2CC)C1 ZINC001352395799 1055436328 /nfs/dbraw/zinc/43/63/28/1055436328.db2.gz BTMXASRHXIWHCO-DLBZAZTESA-N 1 2 358.490 2.911 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(C)(C#N)CC1 ZINC001356377385 1055478928 /nfs/dbraw/zinc/47/89/28/1055478928.db2.gz CGHCDOQURHVQCK-UHFFFAOYSA-N 1 2 355.490 2.521 20 30 FFEDLO C=C(C)CCC(=O)NCC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001357066807 1055767878 /nfs/dbraw/zinc/76/78/78/1055767878.db2.gz JRUUMGVISNEDFF-BRWVUGGUSA-N 1 2 358.486 2.757 20 30 FFEDLO C=C(C)CCC(=O)NCC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001357066807 1055767890 /nfs/dbraw/zinc/76/78/90/1055767890.db2.gz JRUUMGVISNEDFF-BRWVUGGUSA-N 1 2 358.486 2.757 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)C[C@@H](C)C(C)(C)C ZINC001338834358 1055856094 /nfs/dbraw/zinc/85/60/94/1055856094.db2.gz LPLHISYLWDAESB-MRXNPFEDSA-N 1 2 363.550 2.787 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC001338839702 1055860412 /nfs/dbraw/zinc/86/04/12/1055860412.db2.gz FZOZQFFMPKZODG-BDXSIMOUSA-N 1 2 370.501 2.518 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC001338839702 1055860420 /nfs/dbraw/zinc/86/04/20/1055860420.db2.gz FZOZQFFMPKZODG-BDXSIMOUSA-N 1 2 370.501 2.518 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](C2CCCC2)C1 ZINC001350724851 1055909988 /nfs/dbraw/zinc/90/99/88/1055909988.db2.gz QECCXFCVWZGTQN-GOSISDBHSA-N 1 2 356.518 2.925 20 30 FFEDLO C=C(C)CN(Cc1ccccc1)c1nnc([C@@H]2C[C@@H](O)C[N@@H+]2C)n1CC ZINC001352902400 1055911470 /nfs/dbraw/zinc/91/14/70/1055911470.db2.gz QQECLQXQUCWVRY-MSOLQXFVSA-N 1 2 355.486 2.618 20 30 FFEDLO C=C(C)CN(Cc1ccccc1)c1nnc([C@@H]2C[C@@H](O)C[N@H+]2C)n1CC ZINC001352902400 1055911478 /nfs/dbraw/zinc/91/14/78/1055911478.db2.gz QQECLQXQUCWVRY-MSOLQXFVSA-N 1 2 355.486 2.618 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@@H]1C1CCCCC1 ZINC001338895374 1055912825 /nfs/dbraw/zinc/91/28/25/1055912825.db2.gz OYFLSSVDTFNNEI-KURKYZTESA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H]1C1CCCCC1 ZINC001338895374 1055912838 /nfs/dbraw/zinc/91/28/38/1055912838.db2.gz OYFLSSVDTFNNEI-KURKYZTESA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC001338963980 1055971339 /nfs/dbraw/zinc/97/13/39/1055971339.db2.gz VOKDTSXSRHKQCK-YTQUADARSA-N 1 2 373.545 2.683 20 30 FFEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(CO)CC1 ZINC001339111984 1056104373 /nfs/dbraw/zinc/10/43/73/1056104373.db2.gz ZBHRECYOWVOYIS-QGZVFWFLSA-N 1 2 369.513 2.866 20 30 FFEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(CO)CC1 ZINC001339111984 1056104379 /nfs/dbraw/zinc/10/43/79/1056104379.db2.gz ZBHRECYOWVOYIS-QGZVFWFLSA-N 1 2 369.513 2.866 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H](CF)C1 ZINC001339111491 1056104435 /nfs/dbraw/zinc/10/44/35/1056104435.db2.gz WEEBBQOBMDNZAJ-INIZCTEOSA-N 1 2 360.481 2.743 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)Cc1ccc(C)o1 ZINC001339476018 1056492405 /nfs/dbraw/zinc/49/24/05/1056492405.db2.gz RXUNUGDZCSYXHN-SJLPKXTDSA-N 1 2 371.485 2.928 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)Cc1ccc(C)o1 ZINC001339476018 1056492411 /nfs/dbraw/zinc/49/24/11/1056492411.db2.gz RXUNUGDZCSYXHN-SJLPKXTDSA-N 1 2 371.485 2.928 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CCCC)CC1 ZINC001359031781 1056665137 /nfs/dbraw/zinc/66/51/37/1056665137.db2.gz OZGSHOAUMLZKPG-UHFFFAOYSA-N 1 2 353.470 2.509 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CCC2CC(OCC)C2)CC1 ZINC001359035646 1056668870 /nfs/dbraw/zinc/66/88/70/1056668870.db2.gz ZRSWFGCYNXDKSP-UHFFFAOYSA-N 1 2 371.529 2.506 20 30 FFEDLO C=C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001359161349 1056752117 /nfs/dbraw/zinc/75/21/17/1056752117.db2.gz ABTRMLDYJKGLOT-INIZCTEOSA-N 1 2 371.485 2.724 20 30 FFEDLO CC(C)C[C@@H](C(=O)N1CCN(c2ccccc2C#N)CC1)n1cc[nH+]c1 ZINC001442883160 1058169746 /nfs/dbraw/zinc/16/97/46/1058169746.db2.gz SEUMQTDYDDUMMQ-IBGZPJMESA-N 1 2 351.454 2.691 20 30 FFEDLO C#CCN(CC#C)c1nnc(C(C)C)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001300509365 1058570034 /nfs/dbraw/zinc/57/00/34/1058570034.db2.gz KHFBWRJBBWQQQC-UHFFFAOYSA-N 1 2 372.476 2.767 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCC[N@H+](C)Cc1coc(C2CC2)n1 ZINC001502381779 1058853086 /nfs/dbraw/zinc/85/30/86/1058853086.db2.gz GCEBHHFXJPJZHR-ROUUACIJSA-N 1 2 361.486 2.814 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)Cc1coc(C2CC2)n1 ZINC001502381779 1058853112 /nfs/dbraw/zinc/85/31/12/1058853112.db2.gz GCEBHHFXJPJZHR-ROUUACIJSA-N 1 2 361.486 2.814 20 30 FFEDLO CCN(c1nnc(C2CC[NH+](CCC#N)CC2)n1CCOC)C1CCCC1 ZINC001514678960 1059050042 /nfs/dbraw/zinc/05/00/42/1059050042.db2.gz AJLMESGCAOUFKU-UHFFFAOYSA-N 1 2 374.533 2.786 20 30 FFEDLO COc1cc[nH+]cc1Cn1c(-c2ccccn2)nnc1N(C)[C@@H](C)CC#N ZINC001300693164 1059367107 /nfs/dbraw/zinc/36/71/07/1059367107.db2.gz PRYVAQPFDHKZLI-AWEZNQCLSA-N 1 2 363.425 2.530 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCCO[C@H](C)C1 ZINC001515293973 1059509064 /nfs/dbraw/zinc/50/90/64/1059509064.db2.gz BMMDTZBOHXDVFW-QGZVFWFLSA-N 1 2 372.517 2.562 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCCC(F)(F)C1 ZINC001520243823 1059528243 /nfs/dbraw/zinc/52/82/43/1059528243.db2.gz DDZHNVFEWWHTEW-HUUCEWRRSA-N 1 2 367.444 2.625 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCCC(F)(F)C1 ZINC001520243823 1059528261 /nfs/dbraw/zinc/52/82/61/1059528261.db2.gz DDZHNVFEWWHTEW-HUUCEWRRSA-N 1 2 367.444 2.625 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1ccsc1 ZINC001520252057 1059536440 /nfs/dbraw/zinc/53/64/40/1059536440.db2.gz GQTVTRPLBNZRFM-INIZCTEOSA-N 1 2 361.515 2.944 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1ccsc1 ZINC001520252057 1059536461 /nfs/dbraw/zinc/53/64/61/1059536461.db2.gz GQTVTRPLBNZRFM-INIZCTEOSA-N 1 2 361.515 2.944 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)Cc1ccccc1SC ZINC001520289033 1059573486 /nfs/dbraw/zinc/57/34/86/1059573486.db2.gz IQBAYQJSLKRGHF-HZPDHXFCSA-N 1 2 373.526 2.560 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)Cc1ccccc1SC ZINC001520289033 1059573501 /nfs/dbraw/zinc/57/35/01/1059573501.db2.gz IQBAYQJSLKRGHF-HZPDHXFCSA-N 1 2 373.526 2.560 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](c2ccn(C)n2)C1 ZINC001520304962 1059589705 /nfs/dbraw/zinc/58/97/05/1059589705.db2.gz FBCYTZWBEICWQJ-FUHWJXTLSA-N 1 2 369.517 2.738 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](c2ccn(C)n2)C1 ZINC001520304962 1059589726 /nfs/dbraw/zinc/58/97/26/1059589726.db2.gz FBCYTZWBEICWQJ-FUHWJXTLSA-N 1 2 369.517 2.738 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(CCO)Cc1ccccc1 ZINC001520305187 1059590044 /nfs/dbraw/zinc/59/00/44/1059590044.db2.gz IIRAPTBWORFHBR-SFHVURJKSA-N 1 2 355.486 2.620 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(CCO)Cc1ccccc1 ZINC001520305187 1059590062 /nfs/dbraw/zinc/59/00/62/1059590062.db2.gz IIRAPTBWORFHBR-SFHVURJKSA-N 1 2 355.486 2.620 20 30 FFEDLO C#CCN(CC#C)c1nnc([C@@H](C)CC)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001507641705 1059667659 /nfs/dbraw/zinc/66/76/59/1059667659.db2.gz CDEMNUJXPVYMBY-WMZOPIPTSA-N 1 2 364.497 2.947 20 30 FFEDLO C#CCN(CC#C)c1nnc(CC(C)C)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001507652388 1059671982 /nfs/dbraw/zinc/67/19/82/1059671982.db2.gz IDQXGLADMYZKIE-GOSISDBHSA-N 1 2 364.497 2.632 20 30 FFEDLO C=CCN(c1nnc(COCC)n1CCc1cn2ccccc2[nH+]1)C1CC1 ZINC001507995131 1059787273 /nfs/dbraw/zinc/78/72/73/1059787273.db2.gz FCRFFNGMFXJBPN-UHFFFAOYSA-N 1 2 366.469 2.860 20 30 FFEDLO C=CCN(CC=C)c1nnc(-c2cccn2C)n1Cc1c[nH+]ccc1OC ZINC001508014761 1059790367 /nfs/dbraw/zinc/79/03/67/1059790367.db2.gz ZMURDKOIIHXGOI-UHFFFAOYSA-N 1 2 364.453 2.914 20 30 FFEDLO C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2Cc2c[nH+]ccc2OC)C1 ZINC001508121970 1059814669 /nfs/dbraw/zinc/81/46/69/1059814669.db2.gz HENXTYNWTDZHNC-KRWDZBQOSA-N 1 2 369.469 2.779 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1C[C@H](C)OC2(CCC2)C1 ZINC001516015622 1059929680 /nfs/dbraw/zinc/92/96/80/1059929680.db2.gz FGXNCMJVGZMHQS-KRWDZBQOSA-N 1 2 359.518 2.988 20 30 FFEDLO C#CC[C@@]1(C(=O)Nc2cc(C)[nH+]cc2C)CCCN1C(=O)OC(C)(C)C ZINC001520768006 1060054870 /nfs/dbraw/zinc/05/48/70/1060054870.db2.gz FZWMEOGUINLESS-FQEVSTJZSA-N 1 2 357.454 2.852 20 30 FFEDLO C[N@@H+]1CCC[C@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCCO1 ZINC001516562641 1060145907 /nfs/dbraw/zinc/14/59/07/1060145907.db2.gz GPPBVBAGJXTBKH-IRXDYDNUSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCC[C@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCCO1 ZINC001516562641 1060145918 /nfs/dbraw/zinc/14/59/18/1060145918.db2.gz GPPBVBAGJXTBKH-IRXDYDNUSA-N 1 2 372.517 2.744 20 30 FFEDLO Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001460300133 1060951067 /nfs/dbraw/zinc/95/10/67/1060951067.db2.gz GBMNHLBIXZZYHC-UHFFFAOYSA-N 1 2 371.404 2.585 20 30 FFEDLO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO ZINC001460765377 1061091847 /nfs/dbraw/zinc/09/18/47/1061091847.db2.gz XRPUKGGYXVQORN-KRWDZBQOSA-N 1 2 359.470 2.589 20 30 FFEDLO Cc1cc(C#N)cc(C)c1C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO ZINC001460765377 1061091860 /nfs/dbraw/zinc/09/18/60/1061091860.db2.gz XRPUKGGYXVQORN-KRWDZBQOSA-N 1 2 359.470 2.589 20 30 FFEDLO C[N@@H+](Cc1nnc2n1CCC[C@@H]2C(F)(F)F)C[C@@H](O)CC1(C#N)CCC1 ZINC001460780399 1061099059 /nfs/dbraw/zinc/09/90/59/1061099059.db2.gz MACMSCYUSQCWLN-STQMWFEESA-N 1 2 371.407 2.594 20 30 FFEDLO C[N@H+](Cc1nnc2n1CCC[C@@H]2C(F)(F)F)C[C@@H](O)CC1(C#N)CCC1 ZINC001460780399 1061099073 /nfs/dbraw/zinc/09/90/73/1061099073.db2.gz MACMSCYUSQCWLN-STQMWFEESA-N 1 2 371.407 2.594 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCn1cc[nH+]c1 ZINC001522199980 1061712741 /nfs/dbraw/zinc/71/27/41/1061712741.db2.gz LWXGEAJBLIWGTH-MHORFTMASA-N 1 2 358.486 2.514 20 30 FFEDLO CC(C)(C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(O)c1 ZINC001463589657 1062171796 /nfs/dbraw/zinc/17/17/96/1062171796.db2.gz PZKBUQSXRLKFNB-UHFFFAOYSA-N 1 2 363.461 2.886 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(CC)o2)C[C@H]1c1ccccc1 ZINC001479420143 1062356338 /nfs/dbraw/zinc/35/63/38/1062356338.db2.gz DZAVFXUWBZZUAD-DLBZAZTESA-N 1 2 354.454 2.682 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nnc(CC)o2)C[C@H]1c1ccccc1 ZINC001479420143 1062356361 /nfs/dbraw/zinc/35/63/61/1062356361.db2.gz DZAVFXUWBZZUAD-DLBZAZTESA-N 1 2 354.454 2.682 20 30 FFEDLO C=C(C)Cn1c(N(CC2CC2)C2CCC2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001523780114 1062620020 /nfs/dbraw/zinc/62/00/20/1062620020.db2.gz YFJSETHUCLQBNE-FXAWDEMLSA-N 1 2 359.518 2.535 20 30 FFEDLO C=C(C)Cn1c(N(CC2CC2)C2CCC2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001523780114 1062620027 /nfs/dbraw/zinc/62/00/27/1062620027.db2.gz YFJSETHUCLQBNE-FXAWDEMLSA-N 1 2 359.518 2.535 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C4CCC4)n3C)CC[C@@H]2C1 ZINC001479669838 1062773986 /nfs/dbraw/zinc/77/39/86/1062773986.db2.gz MMWUBYQOWBPTGI-MSOLQXFVSA-N 1 2 371.529 2.719 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C4CCC4)n3C)CC[C@@H]2C1 ZINC001479669838 1062774004 /nfs/dbraw/zinc/77/40/04/1062774004.db2.gz MMWUBYQOWBPTGI-MSOLQXFVSA-N 1 2 371.529 2.719 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@](O)(C(F)(F)F)C1 ZINC001524338542 1062806880 /nfs/dbraw/zinc/80/68/80/1062806880.db2.gz WGQKOYFFQIGSDP-CZUORRHYSA-N 1 2 373.423 2.515 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@](O)(C(F)(F)F)C1 ZINC001524338542 1062806900 /nfs/dbraw/zinc/80/69/00/1062806900.db2.gz WGQKOYFFQIGSDP-CZUORRHYSA-N 1 2 373.423 2.515 20 30 FFEDLO COc1cccc(C[NH+]2CCN(C(=O)/C=C\c3ccccc3C#N)CC2)c1 ZINC001438148245 1062962165 /nfs/dbraw/zinc/96/21/65/1062962165.db2.gz RHEGQKBGSHJAIT-KTKRTIGZSA-N 1 2 361.445 2.924 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3C[N@@H+](C(C)C)CCO3)n2CC(C)C)C1 ZINC001524837820 1063016776 /nfs/dbraw/zinc/01/67/76/1063016776.db2.gz PUUWKFUQLTWRJV-MOPGFXCFSA-N 1 2 373.545 2.956 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3C[N@H+](C(C)C)CCO3)n2CC(C)C)C1 ZINC001524837820 1063016798 /nfs/dbraw/zinc/01/67/98/1063016798.db2.gz PUUWKFUQLTWRJV-MOPGFXCFSA-N 1 2 373.545 2.956 20 30 FFEDLO C=CCOCCNC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001533399277 1063292399 /nfs/dbraw/zinc/29/23/99/1063292399.db2.gz HTGFOFXPEPDSHP-MRXNPFEDSA-N 1 2 367.287 2.905 20 30 FFEDLO C#CCCCCCC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001495419440 1063493448 /nfs/dbraw/zinc/49/34/48/1063493448.db2.gz WIJSUDUEKLESLR-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO C#CCCCCCC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001495419440 1063493451 /nfs/dbraw/zinc/49/34/51/1063493451.db2.gz WIJSUDUEKLESLR-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO COc1ccc(NCc2ccc(OCC[NH+]3CCOCC3)cc2)cc1C#N ZINC001474241969 1065475678 /nfs/dbraw/zinc/47/56/78/1065475678.db2.gz GGIHCQINPJQETJ-UHFFFAOYSA-N 1 2 367.449 2.890 20 30 FFEDLO C=CCC1(C(=O)N2CCCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001579035257 1078566494 /nfs/dbraw/zinc/56/64/94/1078566494.db2.gz UHGFUDOKDBERPL-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC1(C(=O)N2CCCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001579035257 1078566501 /nfs/dbraw/zinc/56/65/01/1078566501.db2.gz UHGFUDOKDBERPL-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CCC(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCCC2)CC1 ZINC001582594210 1079072397 /nfs/dbraw/zinc/07/23/97/1079072397.db2.gz LBUYLURQXGXQPD-IAGOWNOFSA-N 1 2 370.497 2.805 20 30 FFEDLO C=C1CCC(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCCC2)CC1 ZINC001582594210 1079072399 /nfs/dbraw/zinc/07/23/99/1079072399.db2.gz LBUYLURQXGXQPD-IAGOWNOFSA-N 1 2 370.497 2.805 20 30 FFEDLO C=C[C@H](O)C(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001556788699 1075775731 /nfs/dbraw/zinc/77/57/31/1075775731.db2.gz GEXSDBBXVQEQOL-ROUUACIJSA-N 1 2 350.890 2.946 20 30 FFEDLO C=C[C@H](O)C(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001556788699 1075775733 /nfs/dbraw/zinc/77/57/33/1075775733.db2.gz GEXSDBBXVQEQOL-ROUUACIJSA-N 1 2 350.890 2.946 20 30 FFEDLO C[C@@H]1C[N@H+](CCNc2cc(Br)c(C#N)cc2F)[C@H](C)CO1 ZINC001559233485 1076137729 /nfs/dbraw/zinc/13/77/29/1076137729.db2.gz VLLGDYLAXFKXSG-GHMZBOCLSA-N 1 2 356.239 2.981 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNc2cc(Br)c(C#N)cc2F)[C@H](C)CO1 ZINC001559233485 1076137731 /nfs/dbraw/zinc/13/77/31/1076137731.db2.gz VLLGDYLAXFKXSG-GHMZBOCLSA-N 1 2 356.239 2.981 20 30 FFEDLO N#Cc1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)cc2=O ZINC001559554875 1076172350 /nfs/dbraw/zinc/17/23/50/1076172350.db2.gz MZUKHNGZOZCIOD-MSOLQXFVSA-N 1 2 358.405 2.578 20 30 FFEDLO N#Cc1cnn2c1[nH]c(C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)cc2=O ZINC001559554875 1076172351 /nfs/dbraw/zinc/17/23/51/1076172351.db2.gz MZUKHNGZOZCIOD-MSOLQXFVSA-N 1 2 358.405 2.578 20 30 FFEDLO C[N@@H+](CC(=O)Nc1nc2ccccc2s1)C[C@H](O)c1cccc(C#N)c1 ZINC001559976098 1076209494 /nfs/dbraw/zinc/20/94/94/1076209494.db2.gz JTOPWWKSTZBZNF-INIZCTEOSA-N 1 2 366.446 2.772 20 30 FFEDLO C[N@H+](CC(=O)Nc1nc2ccccc2s1)C[C@H](O)c1cccc(C#N)c1 ZINC001559976098 1076209497 /nfs/dbraw/zinc/20/94/97/1076209497.db2.gz JTOPWWKSTZBZNF-INIZCTEOSA-N 1 2 366.446 2.772 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1CC[N@H+](Cc2csc(C)n2)[C@@H]1C ZINC001566098364 1076903417 /nfs/dbraw/zinc/90/34/17/1076903417.db2.gz ZDGZKXMNAUHIRZ-SKDZVZGDSA-N 1 2 351.516 2.759 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1CC[N@@H+](Cc2csc(C)n2)[C@@H]1C ZINC001566098364 1076903421 /nfs/dbraw/zinc/90/34/21/1076903421.db2.gz ZDGZKXMNAUHIRZ-SKDZVZGDSA-N 1 2 351.516 2.759 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+](CCNC(=O)[C@@H]2CCO[C@H]2C2CC2)C2CC2)c1 ZINC001567446298 1077028968 /nfs/dbraw/zinc/02/89/68/1077028968.db2.gz QQMCCGGCVOMXPK-QUCCMNQESA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+](CCNC(=O)[C@@H]2CCO[C@H]2C2CC2)C2CC2)c1 ZINC001567446298 1077028969 /nfs/dbraw/zinc/02/89/69/1077028969.db2.gz QQMCCGGCVOMXPK-QUCCMNQESA-N 1 2 371.456 2.593 20 30 FFEDLO C=CCn1cc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)nn1 ZINC001568318045 1077086375 /nfs/dbraw/zinc/08/63/75/1077086375.db2.gz BHDOHUGFJNMCRF-UHFFFAOYSA-N 1 2 370.844 2.657 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccn(C2CCCC2)n1 ZINC001570736221 1077226647 /nfs/dbraw/zinc/22/66/47/1077226647.db2.gz SYAOVWPBNINXCI-IPELMVKDSA-N 1 2 360.502 2.526 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccn(C2CCCC2)n1 ZINC001570736221 1077226652 /nfs/dbraw/zinc/22/66/52/1077226652.db2.gz SYAOVWPBNINXCI-IPELMVKDSA-N 1 2 360.502 2.526 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001573176884 1077561910 /nfs/dbraw/zinc/56/19/10/1077561910.db2.gz XCFRUBSZUVFEOJ-HRCADAONSA-N 1 2 360.502 2.592 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001573176884 1077561914 /nfs/dbraw/zinc/56/19/14/1077561914.db2.gz XCFRUBSZUVFEOJ-HRCADAONSA-N 1 2 360.502 2.592 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001573185281 1077572080 /nfs/dbraw/zinc/57/20/80/1077572080.db2.gz YPVXVMUOHVDLQT-YESZJQIVSA-N 1 2 368.481 2.951 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]2C1 ZINC001573387032 1077690818 /nfs/dbraw/zinc/69/08/18/1077690818.db2.gz GDGCPWSCHNAUDN-WBVHZDCISA-N 1 2 366.465 2.840 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)CSc2ncnc3sc(C)c(C)c32)CC1 ZINC001586494024 1079638947 /nfs/dbraw/zinc/63/89/47/1079638947.db2.gz QXGSGLJVAZDJLE-UHFFFAOYSA-N 1 2 374.535 2.568 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)CSc2ncnc3sc(C)c(C)c32)CC1 ZINC001586494024 1079638949 /nfs/dbraw/zinc/63/89/49/1079638949.db2.gz QXGSGLJVAZDJLE-UHFFFAOYSA-N 1 2 374.535 2.568 20 30 FFEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC001586601217 1079654800 /nfs/dbraw/zinc/65/48/00/1079654800.db2.gz MOHNWTGQCYNLFO-HOTGVXAUSA-N 1 2 364.490 2.885 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2nc3ccc(C)nc3[nH]2)c1 ZINC001587774510 1079861822 /nfs/dbraw/zinc/86/18/22/1079861822.db2.gz ZFHIGMPBJKHYRP-SFHVURJKSA-N 1 2 359.433 2.969 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2nc3ccc(C)nc3[nH]2)c1 ZINC001587774510 1079861829 /nfs/dbraw/zinc/86/18/29/1079861829.db2.gz ZFHIGMPBJKHYRP-SFHVURJKSA-N 1 2 359.433 2.969 20 30 FFEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001588361639 1079993869 /nfs/dbraw/zinc/99/38/69/1079993869.db2.gz DQSQHFWTWVQQGU-UHFFFAOYSA-N 1 2 371.803 2.961 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2Cc2nc(C)c(C)s2)CC1 ZINC001588742121 1080177441 /nfs/dbraw/zinc/17/74/41/1080177441.db2.gz NSBWBTCZDSMQOL-AWEZNQCLSA-N 1 2 372.542 2.668 20 30 FFEDLO C#C[C@]1(C)CCCN1c1nnc(C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001589150737 1080389022 /nfs/dbraw/zinc/38/90/22/1080389022.db2.gz JWUVCGHYWVZFLT-HXUWFJFHSA-N 1 2 350.470 2.622 20 30 FFEDLO Cc1cc(C#N)ccc1C(=O)N1CCC[N@@H+](Cc2cnn(C(C)C)c2)CC1 ZINC000359864844 210190505 /nfs/dbraw/zinc/19/05/05/210190505.db2.gz DICCLAZHDXGXTC-UHFFFAOYSA-N 1 2 365.481 2.992 20 30 FFEDLO Cc1cc(C#N)ccc1C(=O)N1CCC[N@H+](Cc2cnn(C(C)C)c2)CC1 ZINC000359864844 210190507 /nfs/dbraw/zinc/19/05/07/210190507.db2.gz DICCLAZHDXGXTC-UHFFFAOYSA-N 1 2 365.481 2.992 20 30 FFEDLO C=CC[N@H+](CC(=O)NCCCN1CCCCCC1=O)Cc1cccs1 ZINC000051262306 210061709 /nfs/dbraw/zinc/06/17/09/210061709.db2.gz RGDJSIOKZKQTIB-UHFFFAOYSA-N 1 2 363.527 2.645 20 30 FFEDLO C=CC[N@@H+](CC(=O)NCCCN1CCCCCC1=O)Cc1cccs1 ZINC000051262306 210061713 /nfs/dbraw/zinc/06/17/13/210061713.db2.gz RGDJSIOKZKQTIB-UHFFFAOYSA-N 1 2 363.527 2.645 20 30 FFEDLO C[C@H](C1CC1)N(C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1)C1CC1 ZINC000101558246 250076833 /nfs/dbraw/zinc/07/68/33/250076833.db2.gz AIJCWTPZVQVQIZ-OAHLLOKOSA-N 1 2 370.472 2.609 20 30 FFEDLO CN(C(=O)C[NH+]1CCN(Cc2cc(C#N)ccc2F)CC1)C1CCCCC1 ZINC000103149888 250136362 /nfs/dbraw/zinc/13/63/62/250136362.db2.gz NOUFCMHLGUBZES-UHFFFAOYSA-N 1 2 372.488 2.606 20 30 FFEDLO N#Cc1cccc(OC2CCN(C(=O)Cc3cn4ccccc4[nH+]3)CC2)c1 ZINC000104486948 250178781 /nfs/dbraw/zinc/17/87/81/250178781.db2.gz DJCCIGGPFJUOLY-UHFFFAOYSA-N 1 2 360.417 2.818 20 30 FFEDLO C[C@H](c1ccc(C#N)cc1)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000118392382 250386036 /nfs/dbraw/zinc/38/60/36/250386036.db2.gz RJNZBXWZKANECF-QZTJIDSGSA-N 1 2 354.498 2.638 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CCSC3(CCOCC3)C2)c(C#N)c1C ZINC000186813803 251269572 /nfs/dbraw/zinc/26/95/72/251269572.db2.gz JRBLJHFOBUZCLJ-UHFFFAOYSA-N 1 2 365.524 2.773 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CCSC3(CCOCC3)C2)c(C#N)c1C ZINC000186813803 251269578 /nfs/dbraw/zinc/26/95/78/251269578.db2.gz JRBLJHFOBUZCLJ-UHFFFAOYSA-N 1 2 365.524 2.773 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)o2)cc1 ZINC000277930577 256257103 /nfs/dbraw/zinc/25/71/03/256257103.db2.gz YRJMXCJQFWUBOD-UKRRQHHQSA-N 1 2 366.343 2.743 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)o2)cc1 ZINC000277930577 256257105 /nfs/dbraw/zinc/25/71/05/256257105.db2.gz YRJMXCJQFWUBOD-UKRRQHHQSA-N 1 2 366.343 2.743 20 30 FFEDLO N#Cc1ccccc1-c1ccccc1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000277990622 256264692 /nfs/dbraw/zinc/26/46/92/256264692.db2.gz RFCNULHIPSLOOJ-UHFFFAOYSA-N 1 2 361.445 2.820 20 30 FFEDLO N#Cc1c(NCc2cc[nH+]c(N3CCOCC3)c2)nc2cc(Cl)ccn21 ZINC000286013222 257016180 /nfs/dbraw/zinc/01/61/80/257016180.db2.gz FGFQNYUUYDUHDM-UHFFFAOYSA-N 1 2 368.828 2.703 20 30 FFEDLO N#Cc1ccc(N2CC[C@H](C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)C2)c(F)c1 ZINC000286693932 257050082 /nfs/dbraw/zinc/05/00/82/257050082.db2.gz BTYMEMRHBQKQMQ-INIZCTEOSA-N 1 2 367.428 2.653 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc(Cl)ccn3)CC2)cc1 ZINC000286741170 257052563 /nfs/dbraw/zinc/05/25/63/257052563.db2.gz KYLXWVYXMISDBM-UHFFFAOYSA-N 1 2 355.829 2.956 20 30 FFEDLO N#Cc1sc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)nc1Cl ZINC000287822856 257117563 /nfs/dbraw/zinc/11/75/63/257117563.db2.gz QMELGMKBRRJUJF-KGLIPLIRSA-N 1 2 360.870 2.758 20 30 FFEDLO N#Cc1sc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)nc1Cl ZINC000287822856 257117565 /nfs/dbraw/zinc/11/75/65/257117565.db2.gz QMELGMKBRRJUJF-KGLIPLIRSA-N 1 2 360.870 2.758 20 30 FFEDLO COc1cccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000289302508 257273117 /nfs/dbraw/zinc/27/31/17/257273117.db2.gz SGODFLOLVBFBLH-SFHVURJKSA-N 1 2 371.462 2.573 20 30 FFEDLO COc1cccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000289302508 257273118 /nfs/dbraw/zinc/27/31/18/257273118.db2.gz SGODFLOLVBFBLH-SFHVURJKSA-N 1 2 371.462 2.573 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1[N+](=O)[O-] ZINC000289398036 257278982 /nfs/dbraw/zinc/27/89/82/257278982.db2.gz FHJVMJHSVAIDKA-UHFFFAOYSA-N 1 2 373.438 2.562 20 30 FFEDLO CC(C)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1[nH]cc[nH+]1 ZINC000296245054 257686385 /nfs/dbraw/zinc/68/63/85/257686385.db2.gz XSSKBEGUQAFFHS-ZDUSSCGKSA-N 1 2 372.372 2.976 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000301104001 258025248 /nfs/dbraw/zinc/02/52/48/258025248.db2.gz PBRAUTWIDSVOQA-OAHLLOKOSA-N 1 2 352.413 2.847 20 30 FFEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000301135082 258028173 /nfs/dbraw/zinc/02/81/73/258028173.db2.gz YUMGVGAZOPEDNN-UHFFFAOYSA-N 1 2 371.444 2.867 20 30 FFEDLO N#Cc1cc(Cl)ccc1N1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000301192291 258032675 /nfs/dbraw/zinc/03/26/75/258032675.db2.gz MBDJZBHYHFRMOT-GOSISDBHSA-N 1 2 354.841 2.560 20 30 FFEDLO N#Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000302226159 258096533 /nfs/dbraw/zinc/09/65/33/258096533.db2.gz VXZQLVJZXDLMKB-IBGZPJMESA-N 1 2 352.394 2.952 20 30 FFEDLO Cc1cccc(NC(=O)C[NH+]2CCN(c3ccc(C)c(C#N)n3)CC2)c1C ZINC000302619160 258106980 /nfs/dbraw/zinc/10/69/80/258106980.db2.gz DXIQPSKLPRORTN-UHFFFAOYSA-N 1 2 363.465 2.639 20 30 FFEDLO N#Cc1ccc2nc(N3CC[NH+](CC(=O)Nc4ccccc4)CC3)ccc2c1 ZINC000301969794 258078732 /nfs/dbraw/zinc/07/87/32/258078732.db2.gz CELNKIZVFUGXBK-UHFFFAOYSA-N 1 2 371.444 2.867 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c(C#N)c1C ZINC000331496502 258188449 /nfs/dbraw/zinc/18/84/49/258188449.db2.gz QHGKCRZDYSFAKX-DZGCQCFKSA-N 1 2 355.442 2.708 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3ccnn3C)C2)c(C#N)c1C ZINC000331496502 258188450 /nfs/dbraw/zinc/18/84/50/258188450.db2.gz QHGKCRZDYSFAKX-DZGCQCFKSA-N 1 2 355.442 2.708 20 30 FFEDLO Cc1cnn(CC2CC[NH+](CC(=O)Nc3oc(C)c(C)c3C#N)CC2)c1 ZINC000331575694 258191467 /nfs/dbraw/zinc/19/14/67/258191467.db2.gz AGHPEMBSDGPSIX-UHFFFAOYSA-N 1 2 355.442 2.624 20 30 FFEDLO CCc1onc(C)c1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000332244833 258221159 /nfs/dbraw/zinc/22/11/59/258221159.db2.gz AZFRNFJBCUUVSE-UHFFFAOYSA-N 1 2 353.426 2.767 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c1C#N ZINC000331621181 258193783 /nfs/dbraw/zinc/19/37/83/258193783.db2.gz ORVGFPXDJOWFDJ-UGSOOPFHSA-N 1 2 358.486 2.733 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@H](O)[C@@H](C)C2)c1C#N ZINC000331621181 258193784 /nfs/dbraw/zinc/19/37/84/258193784.db2.gz ORVGFPXDJOWFDJ-UGSOOPFHSA-N 1 2 358.486 2.733 20 30 FFEDLO C[C@H](C#N)CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000177353082 510008195 /nfs/dbraw/zinc/00/81/95/510008195.db2.gz QYFLSFSTICOLMQ-IUODEOHRSA-N 1 2 350.260 2.862 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1)C1CC1 ZINC000053229626 506337047 /nfs/dbraw/zinc/33/70/47/506337047.db2.gz JMBLSBLCCNRNPD-ICSRJNTNSA-N 1 2 359.445 2.615 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1)C1CC1 ZINC000053229626 506337054 /nfs/dbraw/zinc/33/70/54/506337054.db2.gz JMBLSBLCCNRNPD-ICSRJNTNSA-N 1 2 359.445 2.615 20 30 FFEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1csc(Br)c1 ZINC000053354310 506362759 /nfs/dbraw/zinc/36/27/59/506362759.db2.gz VZZOVMMMLDERFJ-CQSZACIVSA-N 1 2 356.289 2.751 20 30 FFEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1csc(Br)c1 ZINC000053354310 506362774 /nfs/dbraw/zinc/36/27/74/506362774.db2.gz VZZOVMMMLDERFJ-CQSZACIVSA-N 1 2 356.289 2.751 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000366836532 512209525 /nfs/dbraw/zinc/20/95/25/512209525.db2.gz CADYLFSWFFCRCQ-IAGOWNOFSA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000366836532 512209529 /nfs/dbraw/zinc/20/95/29/512209529.db2.gz CADYLFSWFFCRCQ-IAGOWNOFSA-N 1 2 358.804 2.921 20 30 FFEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000066469008 506528327 /nfs/dbraw/zinc/52/83/27/506528327.db2.gz YHHCXJJCHISGHB-PWSUYJOCSA-N 1 2 361.667 2.934 20 30 FFEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000066469008 506528336 /nfs/dbraw/zinc/52/83/36/506528336.db2.gz YHHCXJJCHISGHB-PWSUYJOCSA-N 1 2 361.667 2.934 20 30 FFEDLO Cc1ncsc1C[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000066564117 506554823 /nfs/dbraw/zinc/55/48/23/506554823.db2.gz ALZBACXZYJJZHH-UHFFFAOYSA-N 1 2 366.450 2.579 20 30 FFEDLO Cc1ncsc1C[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000066564117 506554829 /nfs/dbraw/zinc/55/48/29/506554829.db2.gz ALZBACXZYJJZHH-UHFFFAOYSA-N 1 2 366.450 2.579 20 30 FFEDLO Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000045314398 506949237 /nfs/dbraw/zinc/94/92/37/506949237.db2.gz VABDTNFIWHHBPI-UHFFFAOYSA-N 1 2 366.440 2.762 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000371297765 512314917 /nfs/dbraw/zinc/31/49/17/512314917.db2.gz NVAOBEWMKPXDHX-NRFANRHFSA-N 1 2 363.417 2.891 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000371297765 512314919 /nfs/dbraw/zinc/31/49/19/512314919.db2.gz NVAOBEWMKPXDHX-NRFANRHFSA-N 1 2 363.417 2.891 20 30 FFEDLO COc1ccccc1N1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000016444249 507090731 /nfs/dbraw/zinc/09/07/31/507090731.db2.gz URCGPRJKMIWHPR-QGZVFWFLSA-N 1 2 370.497 2.548 20 30 FFEDLO COC(=O)c1ccc(C)c(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000046517869 507147719 /nfs/dbraw/zinc/14/77/19/507147719.db2.gz GLYZWYFMBIRZRQ-UHFFFAOYSA-N 1 2 351.406 2.724 20 30 FFEDLO COC(=O)c1ccc(C)c(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000046517869 507147727 /nfs/dbraw/zinc/14/77/27/507147727.db2.gz GLYZWYFMBIRZRQ-UHFFFAOYSA-N 1 2 351.406 2.724 20 30 FFEDLO CCOC(=O)c1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046519105 507149675 /nfs/dbraw/zinc/14/96/75/507149675.db2.gz RFUYLOJTPAGQEL-UHFFFAOYSA-N 1 2 351.406 2.805 20 30 FFEDLO CCOC(=O)c1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046519105 507149677 /nfs/dbraw/zinc/14/96/77/507149677.db2.gz RFUYLOJTPAGQEL-UHFFFAOYSA-N 1 2 351.406 2.805 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)Cc1cccc([N+](=O)[O-])c1 ZINC000068825536 507334564 /nfs/dbraw/zinc/33/45/64/507334564.db2.gz MXPPTIRTZQOQHN-RBUKOAKNSA-N 1 2 373.453 2.753 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)Cc1cccc([N+](=O)[O-])c1 ZINC000068825536 507334571 /nfs/dbraw/zinc/33/45/71/507334571.db2.gz MXPPTIRTZQOQHN-RBUKOAKNSA-N 1 2 373.453 2.753 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)Cc1cccc(C#N)c1 ZINC000068826828 507335662 /nfs/dbraw/zinc/33/56/62/507335662.db2.gz FWWLUNMLDJFCQM-VQTJNVASSA-N 1 2 353.466 2.716 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)Cc1cccc(C#N)c1 ZINC000068826828 507335664 /nfs/dbraw/zinc/33/56/64/507335664.db2.gz FWWLUNMLDJFCQM-VQTJNVASSA-N 1 2 353.466 2.716 20 30 FFEDLO CN(CC(=O)N(C)C1(C#N)CCCCC1)Cc1[nH+]ccn1CC(F)(F)F ZINC000057844928 507342003 /nfs/dbraw/zinc/34/20/03/507342003.db2.gz PJSIJNHBJOIYEG-UHFFFAOYSA-N 1 2 371.407 2.562 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000069036909 507385576 /nfs/dbraw/zinc/38/55/76/507385576.db2.gz ZJQFARFMLQLQQN-BEFAXECRSA-N 1 2 362.905 2.905 20 30 FFEDLO N#CCCN(C(=O)C[N@H+]1CCCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000058578347 507440550 /nfs/dbraw/zinc/44/05/50/507440550.db2.gz JONXESXPIGHJHX-UHFFFAOYSA-N 1 2 368.403 2.503 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+]1CCCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000058578347 507440557 /nfs/dbraw/zinc/44/05/57/507440557.db2.gz JONXESXPIGHJHX-UHFFFAOYSA-N 1 2 368.403 2.503 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)NCc1ccc(OCC#N)cc1 ZINC000069717719 507542703 /nfs/dbraw/zinc/54/27/03/507542703.db2.gz ZZWSXLXGGRSRKH-UHFFFAOYSA-N 1 2 363.421 2.747 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(Cl)cc1Cl ZINC000060634257 507570721 /nfs/dbraw/zinc/57/07/21/507570721.db2.gz LHGXWQWBMVJMRQ-UHFFFAOYSA-N 1 2 356.253 2.681 20 30 FFEDLO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)Cc2cccc(C#N)c2)c1C ZINC000026325459 507577384 /nfs/dbraw/zinc/57/73/84/507577384.db2.gz ADGFUZKMIBSGHX-AWEZNQCLSA-N 1 2 353.422 2.993 20 30 FFEDLO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c1C ZINC000026325459 507577392 /nfs/dbraw/zinc/57/73/92/507577392.db2.gz ADGFUZKMIBSGHX-AWEZNQCLSA-N 1 2 353.422 2.993 20 30 FFEDLO N#Cc1ccc(CCC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000027674344 507677122 /nfs/dbraw/zinc/67/71/22/507677122.db2.gz FEHGVMXZFNGYHF-NRFANRHFSA-N 1 2 363.461 2.508 20 30 FFEDLO N#Cc1ccc(CCC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000027674344 507677126 /nfs/dbraw/zinc/67/71/26/507677126.db2.gz FEHGVMXZFNGYHF-NRFANRHFSA-N 1 2 363.461 2.508 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NCCCC[NH+]2CCC(C)CC2)cc1C#N ZINC000063758506 507768531 /nfs/dbraw/zinc/76/85/31/507768531.db2.gz PMYWSCGEPAZHHK-UHFFFAOYSA-N 1 2 362.499 2.623 20 30 FFEDLO Cc1ccc(-c2noc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)n2)cc1 ZINC000029445664 507778491 /nfs/dbraw/zinc/77/84/91/507778491.db2.gz NVIUBRFWWJLUEQ-UHFFFAOYSA-N 1 2 360.421 2.634 20 30 FFEDLO N#Cc1ccc(SCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000064039491 507783926 /nfs/dbraw/zinc/78/39/26/507783926.db2.gz SONOMGGBPZKTCK-UHFFFAOYSA-N 1 2 351.475 2.995 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(c2nccs2)CC1 ZINC000064402297 507795419 /nfs/dbraw/zinc/79/54/19/507795419.db2.gz VZHAGISVBGTJKY-CQSZACIVSA-N 1 2 355.467 2.554 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(c2nccs2)CC1 ZINC000064402297 507795422 /nfs/dbraw/zinc/79/54/22/507795422.db2.gz VZHAGISVBGTJKY-CQSZACIVSA-N 1 2 355.467 2.554 20 30 FFEDLO Cc1ccc(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000029985966 507798747 /nfs/dbraw/zinc/79/87/47/507798747.db2.gz QAJPIYXIQRPLQO-UHFFFAOYSA-N 1 2 361.445 2.784 20 30 FFEDLO Cc1ccc(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000029985966 507798749 /nfs/dbraw/zinc/79/87/49/507798749.db2.gz QAJPIYXIQRPLQO-UHFFFAOYSA-N 1 2 361.445 2.784 20 30 FFEDLO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)C[C@@H]1COc2ccccc2O1 ZINC000031173224 507817909 /nfs/dbraw/zinc/81/79/09/507817909.db2.gz BSKSOAPRJGRVOB-QGZVFWFLSA-N 1 2 351.406 2.659 20 30 FFEDLO CC[N@H+](CC(=O)Nc1cccc(C#N)c1)C[C@@H]1COc2ccccc2O1 ZINC000031173224 507817910 /nfs/dbraw/zinc/81/79/10/507817910.db2.gz BSKSOAPRJGRVOB-QGZVFWFLSA-N 1 2 351.406 2.659 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000072774414 507852474 /nfs/dbraw/zinc/85/24/74/507852474.db2.gz DVIZDBPEYDVIHT-UWJYYQICSA-N 1 2 367.497 2.806 20 30 FFEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCS1 ZINC000072862777 507865880 /nfs/dbraw/zinc/86/58/80/507865880.db2.gz DXELXAWHXJXECT-MRXNPFEDSA-N 1 2 355.467 2.510 20 30 FFEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCS1 ZINC000072862777 507865883 /nfs/dbraw/zinc/86/58/83/507865883.db2.gz DXELXAWHXJXECT-MRXNPFEDSA-N 1 2 355.467 2.510 20 30 FFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072898068 507870508 /nfs/dbraw/zinc/87/05/08/507870508.db2.gz GYMCSUOGOCYHHR-ROUUACIJSA-N 1 2 364.405 2.965 20 30 FFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072898068 507870510 /nfs/dbraw/zinc/87/05/10/507870510.db2.gz GYMCSUOGOCYHHR-ROUUACIJSA-N 1 2 364.405 2.965 20 30 FFEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)Nc2cc(F)ccc2F)cs1 ZINC000072920189 507873694 /nfs/dbraw/zinc/87/36/94/507873694.db2.gz FKFMXVTTYCVNSP-QMMMGPOBSA-N 1 2 354.382 2.588 20 30 FFEDLO N#CCCN(CCSc1ccc(Cl)cc1)CC[NH+]1CCOCC1 ZINC000078687117 507897770 /nfs/dbraw/zinc/89/77/70/507897770.db2.gz MYRRUKJUEGUDIZ-UHFFFAOYSA-N 1 2 353.919 2.980 20 30 FFEDLO N#CCC[N@@H+](CCSc1ccc(Cl)cc1)CCN1CCOCC1 ZINC000078687117 507897772 /nfs/dbraw/zinc/89/77/72/507897772.db2.gz MYRRUKJUEGUDIZ-UHFFFAOYSA-N 1 2 353.919 2.980 20 30 FFEDLO N#CCC[N@H+](CCSc1ccc(Cl)cc1)CCN1CCOCC1 ZINC000078687117 507897774 /nfs/dbraw/zinc/89/77/74/507897774.db2.gz MYRRUKJUEGUDIZ-UHFFFAOYSA-N 1 2 353.919 2.980 20 30 FFEDLO Cc1cc(C)n(-c2ccc(CN(CCC#N)CC[NH+]3CCOCC3)cc2)n1 ZINC000078719962 507900626 /nfs/dbraw/zinc/90/06/26/507900626.db2.gz WNIZAKAXYZEMKZ-UHFFFAOYSA-N 1 2 367.497 2.537 20 30 FFEDLO Cc1cc(C)n(-c2ccc(C[N@H+](CCC#N)CCN3CCOCC3)cc2)n1 ZINC000078719962 507900629 /nfs/dbraw/zinc/90/06/29/507900629.db2.gz WNIZAKAXYZEMKZ-UHFFFAOYSA-N 1 2 367.497 2.537 20 30 FFEDLO Cc1cc(C)n(-c2ccc(C[N@@H+](CCC#N)CCN3CCOCC3)cc2)n1 ZINC000078719962 507900632 /nfs/dbraw/zinc/90/06/32/507900632.db2.gz WNIZAKAXYZEMKZ-UHFFFAOYSA-N 1 2 367.497 2.537 20 30 FFEDLO N#C[C@@H]1CN(C(=O)Cn2c3ccccc3[nH+]c2C2CCCCC2)CCO1 ZINC000090554144 507927498 /nfs/dbraw/zinc/92/74/98/507927498.db2.gz HWGKTNHZFAZRPH-MRXNPFEDSA-N 1 2 352.438 2.835 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000073802960 507957288 /nfs/dbraw/zinc/95/72/88/507957288.db2.gz HOXTXTVUPIAQAG-SFHVURJKSA-N 1 2 366.446 2.501 20 30 FFEDLO N#CCOc1ccc(CC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000110226309 508014491 /nfs/dbraw/zinc/01/44/91/508014491.db2.gz PKVUSYNBVMBVOY-UHFFFAOYSA-N 1 2 364.449 2.833 20 30 FFEDLO N#Cc1ccc(CSCC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000110956041 508060252 /nfs/dbraw/zinc/06/02/52/508060252.db2.gz HVSMGMBUWWXYSW-LJQANCHMSA-N 1 2 373.522 2.505 20 30 FFEDLO CC[C@@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000111273939 508085172 /nfs/dbraw/zinc/08/51/72/508085172.db2.gz HMSAGZPLIRCIJT-WMLDXEAASA-N 1 2 368.399 2.672 20 30 FFEDLO CC[C@@H]1C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000111273939 508085177 /nfs/dbraw/zinc/08/51/77/508085177.db2.gz HMSAGZPLIRCIJT-WMLDXEAASA-N 1 2 368.399 2.672 20 30 FFEDLO CC(=O)Nc1ccccc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000092612873 508086809 /nfs/dbraw/zinc/08/68/09/508086809.db2.gz ZKGXJCDMSRFAPD-UHFFFAOYSA-N 1 2 352.413 2.978 20 30 FFEDLO N#Cc1ccc2ncc(C[N@H+]3CCCC[C@H]3CNC(=O)c3ccccc3)n2c1 ZINC000092784305 508100880 /nfs/dbraw/zinc/10/08/80/508100880.db2.gz PEPZQDQXRZISIZ-IBGZPJMESA-N 1 2 373.460 2.990 20 30 FFEDLO N#Cc1ccc2ncc(C[N@@H+]3CCCC[C@H]3CNC(=O)c3ccccc3)n2c1 ZINC000092784305 508100882 /nfs/dbraw/zinc/10/08/82/508100882.db2.gz PEPZQDQXRZISIZ-IBGZPJMESA-N 1 2 373.460 2.990 20 30 FFEDLO C=CC1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)CC1 ZINC000111465302 508101384 /nfs/dbraw/zinc/10/13/84/508101384.db2.gz BPOYYOCETMLXOQ-HZPDHXFCSA-N 1 2 358.486 2.803 20 30 FFEDLO CC(C)CN(C(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1)C1CC1 ZINC000080905257 508110177 /nfs/dbraw/zinc/11/01/77/508110177.db2.gz KWNHHIMJACARGH-FQEVSTJZSA-N 1 2 354.498 2.516 20 30 FFEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1O ZINC000080985475 508121960 /nfs/dbraw/zinc/12/19/60/508121960.db2.gz CIRZCHKORNIXJH-LBPRGKRZSA-N 1 2 357.410 2.941 20 30 FFEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1O ZINC000080985475 508121962 /nfs/dbraw/zinc/12/19/62/508121962.db2.gz CIRZCHKORNIXJH-LBPRGKRZSA-N 1 2 357.410 2.941 20 30 FFEDLO N#CCC[N@@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)CC1CC1 ZINC000081044049 508129333 /nfs/dbraw/zinc/12/93/33/508129333.db2.gz WAOZSMYCARZGND-SFHVURJKSA-N 1 2 354.479 2.974 20 30 FFEDLO N#CCC[N@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)CC1CC1 ZINC000081044049 508129336 /nfs/dbraw/zinc/12/93/36/508129336.db2.gz WAOZSMYCARZGND-SFHVURJKSA-N 1 2 354.479 2.974 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3noc(C)n3)CC2)cc1Cl ZINC000093273928 508132563 /nfs/dbraw/zinc/13/25/63/508132563.db2.gz MNBKMIKDIISISK-UHFFFAOYSA-N 1 2 362.861 2.914 20 30 FFEDLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1cccc(OCCCC#N)c1)C1CC1 ZINC000093392177 508143526 /nfs/dbraw/zinc/14/35/26/508143526.db2.gz NIFJDDBUCWZREZ-OAHLLOKOSA-N 1 2 350.484 2.767 20 30 FFEDLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1cccc(OCCCC#N)c1)C1CC1 ZINC000093392177 508143528 /nfs/dbraw/zinc/14/35/28/508143528.db2.gz NIFJDDBUCWZREZ-OAHLLOKOSA-N 1 2 350.484 2.767 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(c3nc(C)ns3)CC2)cc1OC ZINC000093663514 508151444 /nfs/dbraw/zinc/15/14/44/508151444.db2.gz BASQDTDASRSYOF-UHFFFAOYSA-N 1 2 360.483 2.742 20 30 FFEDLO CSc1nc(C2CC2)cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1C#N ZINC000081800851 508213229 /nfs/dbraw/zinc/21/32/29/508213229.db2.gz SVSUTFUDBCCOQA-GFCCVEGCSA-N 1 2 355.467 2.815 20 30 FFEDLO Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C#N)[NH+]2CCOCC2)cc1 ZINC000076871985 508259018 /nfs/dbraw/zinc/25/90/18/508259018.db2.gz HTZQBLHMWYIKFF-GOSISDBHSA-N 1 2 367.409 2.655 20 30 FFEDLO C[C@@H](CNC(=O)c1cc(C#N)cs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000084263564 508272026 /nfs/dbraw/zinc/27/20/26/508272026.db2.gz GLNZUGSIHOSRDB-HNNXBMFYSA-N 1 2 354.479 2.560 20 30 FFEDLO CCCOc1ccc(C(=O)CCC(=O)NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000077037412 508275260 /nfs/dbraw/zinc/27/52/60/508275260.db2.gz RURIAWGOPHLCCH-UHFFFAOYSA-N 1 2 357.454 2.542 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1sccc1C#N ZINC000102859917 508288187 /nfs/dbraw/zinc/28/81/87/508288187.db2.gz MSHDVBTWDZCNAI-MRXNPFEDSA-N 1 2 369.490 2.983 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1 ZINC000104725670 508343425 /nfs/dbraw/zinc/34/34/25/508343425.db2.gz VPPWKYBGMHDAPF-SFHVURJKSA-N 1 2 373.453 2.640 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1 ZINC000104725670 508343427 /nfs/dbraw/zinc/34/34/27/508343427.db2.gz VPPWKYBGMHDAPF-SFHVURJKSA-N 1 2 373.453 2.640 20 30 FFEDLO C[C@@H](OCc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000106117289 508395670 /nfs/dbraw/zinc/39/56/70/508395670.db2.gz MZBNJDZLXUUAJA-GOSISDBHSA-N 1 2 363.461 2.808 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152376902 508434257 /nfs/dbraw/zinc/43/42/57/508434257.db2.gz CADYLFSWFFCRCQ-IRXDYDNUSA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152376902 508434261 /nfs/dbraw/zinc/43/42/61/508434261.db2.gz CADYLFSWFFCRCQ-IRXDYDNUSA-N 1 2 358.804 2.921 20 30 FFEDLO C[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000127459416 508453339 /nfs/dbraw/zinc/45/33/39/508453339.db2.gz MOCIDMKJGPJHBC-OAHLLOKOSA-N 1 2 360.421 2.770 20 30 FFEDLO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000127459416 508453342 /nfs/dbraw/zinc/45/33/42/508453342.db2.gz MOCIDMKJGPJHBC-OAHLLOKOSA-N 1 2 360.421 2.770 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)COc2ccccc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000127647802 508480983 /nfs/dbraw/zinc/48/09/83/508480983.db2.gz YKIDRGSHSRQISI-PXNSSMCTSA-N 1 2 371.387 2.777 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)COc2ccccc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000127647802 508480990 /nfs/dbraw/zinc/48/09/90/508480990.db2.gz YKIDRGSHSRQISI-PXNSSMCTSA-N 1 2 371.387 2.777 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000156838189 508484739 /nfs/dbraw/zinc/48/47/39/508484739.db2.gz FEBWQANVPBGCFZ-DLBZAZTESA-N 1 2 350.509 2.692 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000156838189 508484741 /nfs/dbraw/zinc/48/47/41/508484741.db2.gz FEBWQANVPBGCFZ-DLBZAZTESA-N 1 2 350.509 2.692 20 30 FFEDLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000127916043 508520254 /nfs/dbraw/zinc/52/02/54/508520254.db2.gz WPTRXVFEOFRJKH-OAHLLOKOSA-N 1 2 360.421 2.770 20 30 FFEDLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000127916043 508520257 /nfs/dbraw/zinc/52/02/57/508520257.db2.gz WPTRXVFEOFRJKH-OAHLLOKOSA-N 1 2 360.421 2.770 20 30 FFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153151885 508553067 /nfs/dbraw/zinc/55/30/67/508553067.db2.gz HLEKYQCYQRZZDU-LJQANCHMSA-N 1 2 361.449 2.930 20 30 FFEDLO N#Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000122803192 508588998 /nfs/dbraw/zinc/58/89/98/508588998.db2.gz MDMXSAMXOCAWHQ-UHFFFAOYSA-N 1 2 360.889 2.783 20 30 FFEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000157726564 508603449 /nfs/dbraw/zinc/60/34/49/508603449.db2.gz CWONJGVCOKWBOP-UHFFFAOYSA-N 1 2 370.409 2.636 20 30 FFEDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000135607129 508631581 /nfs/dbraw/zinc/63/15/81/508631581.db2.gz BBSOKBFSGCNUDI-MRXNPFEDSA-N 1 2 357.845 2.893 20 30 FFEDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000135607129 508631587 /nfs/dbraw/zinc/63/15/87/508631587.db2.gz BBSOKBFSGCNUDI-MRXNPFEDSA-N 1 2 357.845 2.893 20 30 FFEDLO CC[C@]1(C)C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CCO1 ZINC000135646322 508637422 /nfs/dbraw/zinc/63/74/22/508637422.db2.gz WFBSFFITAMBSKH-OXJNMPFZSA-N 1 2 359.470 2.831 20 30 FFEDLO CC[C@]1(C)C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CCO1 ZINC000135646322 508637424 /nfs/dbraw/zinc/63/74/24/508637424.db2.gz WFBSFFITAMBSKH-OXJNMPFZSA-N 1 2 359.470 2.831 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c(C#N)c1C ZINC000135653271 508638273 /nfs/dbraw/zinc/63/82/73/508638273.db2.gz AKMOSRWLEPYANC-OAHLLOKOSA-N 1 2 357.483 2.918 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c(C#N)c1C ZINC000135653271 508638276 /nfs/dbraw/zinc/63/82/76/508638276.db2.gz AKMOSRWLEPYANC-OAHLLOKOSA-N 1 2 357.483 2.918 20 30 FFEDLO C=CCCSc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000128780560 508642960 /nfs/dbraw/zinc/64/29/60/508642960.db2.gz WJLGWOBQRRSEBB-UHFFFAOYSA-N 1 2 365.524 2.849 20 30 FFEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000118390965 508649570 /nfs/dbraw/zinc/64/95/70/508649570.db2.gz WSDLIARQSMBMCJ-QGZVFWFLSA-N 1 2 369.490 2.767 20 30 FFEDLO CC[C@H](C)[N@H+](CC(=O)NC1(C#N)CCCCC1)CC(=O)OC(C)(C)C ZINC000136344586 508688239 /nfs/dbraw/zinc/68/82/39/508688239.db2.gz AXHSCJDEZMJJAN-HNNXBMFYSA-N 1 2 351.491 2.771 20 30 FFEDLO CC[C@H](C)[N@@H+](CC(=O)NC1(C#N)CCCCC1)CC(=O)OC(C)(C)C ZINC000136344586 508688242 /nfs/dbraw/zinc/68/82/42/508688242.db2.gz AXHSCJDEZMJJAN-HNNXBMFYSA-N 1 2 351.491 2.771 20 30 FFEDLO C=CC[N@@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000136361353 508689222 /nfs/dbraw/zinc/68/92/22/508689222.db2.gz MPBTWOZTIBXYLF-IUODEOHRSA-N 1 2 364.294 2.702 20 30 FFEDLO C=CC[N@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000136361353 508689224 /nfs/dbraw/zinc/68/92/24/508689224.db2.gz MPBTWOZTIBXYLF-IUODEOHRSA-N 1 2 364.294 2.702 20 30 FFEDLO CC(C)[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCS(C)(=O)=O ZINC000137083923 508736560 /nfs/dbraw/zinc/73/65/60/508736560.db2.gz CHOZWUILRUHAHG-UHFFFAOYSA-N 1 2 363.401 2.692 20 30 FFEDLO CC(C)[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCS(C)(=O)=O ZINC000137083923 508736562 /nfs/dbraw/zinc/73/65/62/508736562.db2.gz CHOZWUILRUHAHG-UHFFFAOYSA-N 1 2 363.401 2.692 20 30 FFEDLO CN(C(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)C1(C#N)CCCCC1 ZINC000158718573 508744457 /nfs/dbraw/zinc/74/44/57/508744457.db2.gz HYCVVENAFUMWCI-JOCHJYFZSA-N 1 2 367.493 2.845 20 30 FFEDLO CN(C(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1)C1(C#N)CCCCC1 ZINC000158718573 508744460 /nfs/dbraw/zinc/74/44/60/508744460.db2.gz HYCVVENAFUMWCI-JOCHJYFZSA-N 1 2 367.493 2.845 20 30 FFEDLO N#Cc1ccccc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000119352410 508778170 /nfs/dbraw/zinc/77/81/70/508778170.db2.gz HXNZCCWDVQEXIA-INIZCTEOSA-N 1 2 359.451 2.657 20 30 FFEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c(-c2ccncc2)n1 ZINC000371462685 512416694 /nfs/dbraw/zinc/41/66/94/512416694.db2.gz DVYVIHMKNBBVHQ-FQEVSTJZSA-N 1 2 359.433 2.927 20 30 FFEDLO Cn1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c(-c2ccncc2)n1 ZINC000371462685 512416695 /nfs/dbraw/zinc/41/66/95/512416695.db2.gz DVYVIHMKNBBVHQ-FQEVSTJZSA-N 1 2 359.433 2.927 20 30 FFEDLO Cc1[nH+]c2ccc(C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)cc2n1C ZINC000373596174 512417346 /nfs/dbraw/zinc/41/73/46/512417346.db2.gz UGVLJWXRSRNOJY-FQEVSTJZSA-N 1 2 360.417 2.967 20 30 FFEDLO C[C@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC(C)(C)O1 ZINC000140656503 508807181 /nfs/dbraw/zinc/80/71/81/508807181.db2.gz YABWZIIXBLGGPX-AWEZNQCLSA-N 1 2 368.399 2.672 20 30 FFEDLO C[C@H]1C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC(C)(C)O1 ZINC000140656503 508807185 /nfs/dbraw/zinc/80/71/85/508807185.db2.gz YABWZIIXBLGGPX-AWEZNQCLSA-N 1 2 368.399 2.672 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000154590696 508815218 /nfs/dbraw/zinc/81/52/18/508815218.db2.gz ACNRIPMODRDCNI-GOSISDBHSA-N 1 2 372.513 2.958 20 30 FFEDLO CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC(C#N)CC2)c(C(F)(F)F)c1 ZINC000142020937 508820198 /nfs/dbraw/zinc/82/01/98/508820198.db2.gz JIHAFTVUYWAYAG-UHFFFAOYSA-N 1 2 368.359 2.838 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)[NH+]1CCSCC1 ZINC000130910838 508864095 /nfs/dbraw/zinc/86/40/95/508864095.db2.gz GVMQXCPFAQIUQZ-INIZCTEOSA-N 1 2 351.475 2.857 20 30 FFEDLO N#Cc1cc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)ccc1OCC(F)(F)F ZINC000160007484 508924342 /nfs/dbraw/zinc/92/43/42/508924342.db2.gz RVDTWXMAQGRNEV-NSHDSACASA-N 1 2 364.327 2.897 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3nc(C)no3)CC2)cc1Cl ZINC000125302167 508962815 /nfs/dbraw/zinc/96/28/15/508962815.db2.gz KBQMKUOOYHFJJR-UHFFFAOYSA-N 1 2 362.861 2.914 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)s1 ZINC000125365855 508971695 /nfs/dbraw/zinc/97/16/95/508971695.db2.gz NSVPXAWLPXCWIW-LJQANCHMSA-N 1 2 366.490 2.543 20 30 FFEDLO C[C@@H]([NH2+][C@H](C)c1cn(-c2ccccc2)nn1)C(=O)Nc1cccc(C#N)c1 ZINC000151240560 508984231 /nfs/dbraw/zinc/98/42/31/508984231.db2.gz LEFCFWNIJSYBER-HUUCEWRRSA-N 1 2 360.421 2.817 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CNc1cccc(C#N)c1)c1cccc(F)c1 ZINC000151477629 509024701 /nfs/dbraw/zinc/02/47/01/509024701.db2.gz IGLIQYQFXJCYEI-IBGZPJMESA-N 1 2 363.396 2.749 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)CNc1cccc(C#N)c1)c1cccc(F)c1 ZINC000151477554 509024975 /nfs/dbraw/zinc/02/49/75/509024975.db2.gz IGLIQYQFXJCYEI-LJQANCHMSA-N 1 2 363.396 2.749 20 30 FFEDLO CC(C)(C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)c1cc(F)cc(C#N)c1 ZINC000375645157 512434823 /nfs/dbraw/zinc/43/48/23/512434823.db2.gz ZPOMIUXJRNGKNP-UHFFFAOYSA-N 1 2 363.396 2.872 20 30 FFEDLO Cc1cccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1C#N ZINC000156125934 509131507 /nfs/dbraw/zinc/13/15/07/509131507.db2.gz XPRGPRCRXUSFHE-QGZVFWFLSA-N 1 2 373.478 2.965 20 30 FFEDLO C=CCCOCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000133466687 509162749 /nfs/dbraw/zinc/16/27/49/509162749.db2.gz VJKSHZAPFXLHQE-IRXDYDNUSA-N 1 2 353.413 2.602 20 30 FFEDLO C=CCCOCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000133466687 509162751 /nfs/dbraw/zinc/16/27/51/509162751.db2.gz VJKSHZAPFXLHQE-IRXDYDNUSA-N 1 2 353.413 2.602 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c1 ZINC000191874296 509225810 /nfs/dbraw/zinc/22/58/10/509225810.db2.gz OEUWUHZMCLBMLN-UHFFFAOYSA-N 1 2 362.271 2.765 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@H+]2CCCN(C(=O)C3CC3)CC2)c1 ZINC000191874296 509225812 /nfs/dbraw/zinc/22/58/12/509225812.db2.gz OEUWUHZMCLBMLN-UHFFFAOYSA-N 1 2 362.271 2.765 20 30 FFEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000179016750 509227332 /nfs/dbraw/zinc/22/73/32/509227332.db2.gz FZNJVCNAHVPWDQ-OAHLLOKOSA-N 1 2 352.442 2.910 20 30 FFEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000185617526 509267687 /nfs/dbraw/zinc/26/76/87/509267687.db2.gz RXWSBCAVHVULCU-UHFFFAOYSA-N 1 2 372.381 2.692 20 30 FFEDLO CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000188800931 509269706 /nfs/dbraw/zinc/26/97/06/509269706.db2.gz WYZNDBDTBGOLMF-ZDUSSCGKSA-N 1 2 353.426 2.510 20 30 FFEDLO COc1cccc(C(=O)N2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)c1 ZINC000179184951 509310627 /nfs/dbraw/zinc/31/06/27/509310627.db2.gz DDKJERMNUWRIGG-UHFFFAOYSA-N 1 2 365.433 2.533 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248434932 509318079 /nfs/dbraw/zinc/31/80/79/509318079.db2.gz RICPDAPPDNRMGV-CZUORRHYSA-N 1 2 371.407 2.593 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248434932 509318087 /nfs/dbraw/zinc/31/80/87/509318087.db2.gz RICPDAPPDNRMGV-CZUORRHYSA-N 1 2 371.407 2.593 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1cccc(C)c1C#N ZINC000192243824 509423807 /nfs/dbraw/zinc/42/38/07/509423807.db2.gz LHWGUGRONRNGLG-UHFFFAOYSA-N 1 2 360.483 2.727 20 30 FFEDLO Cc1nc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)ccc1C#N ZINC000264314936 509452378 /nfs/dbraw/zinc/45/23/78/509452378.db2.gz ZMHAUCCNKUVFRZ-OAHLLOKOSA-N 1 2 350.422 2.907 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000164252901 509481548 /nfs/dbraw/zinc/48/15/48/509481548.db2.gz KPHRULSXDKCREP-IRLDBZIGSA-N 1 2 369.461 2.934 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000164252901 509481553 /nfs/dbraw/zinc/48/15/53/509481553.db2.gz KPHRULSXDKCREP-IRLDBZIGSA-N 1 2 369.461 2.934 20 30 FFEDLO Cn1cc(CN(CCC#N)CC[NH+]2CCOCC2)c(C2CCCCC2)n1 ZINC000182930291 509501095 /nfs/dbraw/zinc/50/10/95/509501095.db2.gz IKBMZTIPLBDMHM-UHFFFAOYSA-N 1 2 359.518 2.516 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[S@@](=O)Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000176527080 509562852 /nfs/dbraw/zinc/56/28/52/509562852.db2.gz PAHBSZUFXBWKOE-QHCPKHFHSA-N 1 2 353.875 2.661 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3c(C4CC4)nc4sccn34)CC2)nc1 ZINC000179672367 509566089 /nfs/dbraw/zinc/56/60/89/509566089.db2.gz PQQOSKBQTPFEAV-UHFFFAOYSA-N 1 2 364.478 2.862 20 30 FFEDLO CCOC(=O)[C@@H](CC)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000173596004 509666400 /nfs/dbraw/zinc/66/64/00/509666400.db2.gz IUCRSPLYBBWOSR-GOSISDBHSA-N 1 2 352.438 2.570 20 30 FFEDLO COc1ccc(OC(F)F)c(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000179987143 509699317 /nfs/dbraw/zinc/69/93/17/509699317.db2.gz LKTYQBPNSAIDIO-UHFFFAOYSA-N 1 2 374.391 2.885 20 30 FFEDLO Cc1ncc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)n1-c1ccccc1 ZINC000179987237 509700441 /nfs/dbraw/zinc/70/04/41/509700441.db2.gz QKCQDSWDVRUGPF-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO Cc1[nH+]cc(CN2CCN(c3ccc(C#N)cn3)CC2)n1-c1ccccc1 ZINC000179987237 509700450 /nfs/dbraw/zinc/70/04/50/509700450.db2.gz QKCQDSWDVRUGPF-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO CSCc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000176963943 509787729 /nfs/dbraw/zinc/78/77/29/509787729.db2.gz ZMSFXHYEMWETOV-UHFFFAOYSA-N 1 2 362.499 2.629 20 30 FFEDLO CCc1nnc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c(C#N)c1CC ZINC000268208944 509814459 /nfs/dbraw/zinc/81/44/59/509814459.db2.gz PZJGQIXQBHDGJV-HNNXBMFYSA-N 1 2 350.470 2.751 20 30 FFEDLO CCc1nnc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c(C#N)c1CC ZINC000268208945 509814534 /nfs/dbraw/zinc/81/45/34/509814534.db2.gz PZJGQIXQBHDGJV-OAHLLOKOSA-N 1 2 350.470 2.751 20 30 FFEDLO COc1cccc(C=C2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)c1 ZINC000268421367 509918480 /nfs/dbraw/zinc/91/84/80/509918480.db2.gz CVKSLXCPXUYMDD-OAQYLSRUSA-N 1 2 353.466 2.983 20 30 FFEDLO CCO[C@@H](C)c1noc(CN2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000174047432 509923414 /nfs/dbraw/zinc/92/34/14/509923414.db2.gz OABBCBOXXNTAHH-CVEARBPZSA-N 1 2 369.469 2.918 20 30 FFEDLO Cc1nc2sccn2c1C[N@@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000268517277 509982665 /nfs/dbraw/zinc/98/26/65/509982665.db2.gz YRPDVBBWDANUNJ-CYBMUJFWSA-N 1 2 371.491 2.875 20 30 FFEDLO Cc1nc2sccn2c1C[N@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000268517277 509982668 /nfs/dbraw/zinc/98/26/68/509982668.db2.gz YRPDVBBWDANUNJ-CYBMUJFWSA-N 1 2 371.491 2.875 20 30 FFEDLO COc1ccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1OCCCC#N ZINC000245555317 510004785 /nfs/dbraw/zinc/00/47/85/510004785.db2.gz IGFLQMIOYAXKPF-IAGOWNOFSA-N 1 2 357.454 2.621 20 30 FFEDLO COc1ccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1OCCCC#N ZINC000245555317 510004790 /nfs/dbraw/zinc/00/47/90/510004790.db2.gz IGFLQMIOYAXKPF-IAGOWNOFSA-N 1 2 357.454 2.621 20 30 FFEDLO CCc1ccc([C@@H]2C[N@H+](C[C@H](O)COc3ccc(C#N)cc3)CCO2)cc1 ZINC000190278209 510041026 /nfs/dbraw/zinc/04/10/26/510041026.db2.gz IYFHGTVLUVSWKN-UNMCSNQZSA-N 1 2 366.461 2.934 20 30 FFEDLO CCc1ccc([C@@H]2C[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)CCO2)cc1 ZINC000190278209 510041032 /nfs/dbraw/zinc/04/10/32/510041032.db2.gz IYFHGTVLUVSWKN-UNMCSNQZSA-N 1 2 366.461 2.934 20 30 FFEDLO C=CC[C@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000190286134 510044123 /nfs/dbraw/zinc/04/41/23/510044123.db2.gz BTZWSYNJLLXJFO-ICSRJNTNSA-N 1 2 369.509 2.501 20 30 FFEDLO CC(C)OCc1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000177539536 510122716 /nfs/dbraw/zinc/12/27/16/510122716.db2.gz DGGTZVSNQSNLPS-UHFFFAOYSA-N 1 2 374.485 2.691 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)s1 ZINC000180831391 510133915 /nfs/dbraw/zinc/13/39/15/510133915.db2.gz HWUQCIGZRASDTG-UHFFFAOYSA-N 1 2 358.442 2.515 20 30 FFEDLO Cc1[nH+]c2cc(C)ccn2c1CN1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000194046549 510191326 /nfs/dbraw/zinc/19/13/26/510191326.db2.gz AWYHIUHXDFOWLR-UHFFFAOYSA-N 1 2 373.460 2.781 20 30 FFEDLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000194046549 510191333 /nfs/dbraw/zinc/19/13/33/510191333.db2.gz AWYHIUHXDFOWLR-UHFFFAOYSA-N 1 2 373.460 2.781 20 30 FFEDLO COc1cc(C(N)=[NH+]OCc2nnc(C(C)C)o2)cc(Cl)c1OC ZINC000269075089 510223883 /nfs/dbraw/zinc/22/38/83/510223883.db2.gz HQRLOQXLEZNALH-UHFFFAOYSA-N 1 2 354.794 2.701 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000171625195 510259693 /nfs/dbraw/zinc/25/96/93/510259693.db2.gz RJZNRJMSJLWRTE-SFHVURJKSA-N 1 2 373.453 2.640 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000171625195 510259694 /nfs/dbraw/zinc/25/96/94/510259694.db2.gz RJZNRJMSJLWRTE-SFHVURJKSA-N 1 2 373.453 2.640 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCS[C@H](C)C2)c1C#N ZINC000171698986 510315332 /nfs/dbraw/zinc/31/53/32/510315332.db2.gz MFWMAHWMEIXOCY-CYBMUJFWSA-N 1 2 372.494 2.994 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCS[C@H](C)C2)c1C#N ZINC000171698986 510315336 /nfs/dbraw/zinc/31/53/36/510315336.db2.gz MFWMAHWMEIXOCY-CYBMUJFWSA-N 1 2 372.494 2.994 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ncc(-c2ccccc2F)o1 ZINC000174830895 510332283 /nfs/dbraw/zinc/33/22/83/510332283.db2.gz CESLBNLJNCVCQH-UHFFFAOYSA-N 1 2 358.417 2.529 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CCN(Cc2c(C)[nH+]c3cc(C)ccn32)CC1 ZINC000194393977 510341567 /nfs/dbraw/zinc/34/15/67/510341567.db2.gz PXCQDYYJLKTOBX-GOSISDBHSA-N 1 2 370.497 2.577 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000194393977 510341571 /nfs/dbraw/zinc/34/15/71/510341571.db2.gz PXCQDYYJLKTOBX-GOSISDBHSA-N 1 2 370.497 2.577 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@](C)(O)C2)c1C#N ZINC000178010930 510375064 /nfs/dbraw/zinc/37/50/64/510375064.db2.gz GEKOTEKFFBSKAA-HXUWFJFHSA-N 1 2 358.486 2.877 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@@](C)(O)C2)c1C#N ZINC000178010930 510375069 /nfs/dbraw/zinc/37/50/69/510375069.db2.gz GEKOTEKFFBSKAA-HXUWFJFHSA-N 1 2 358.486 2.877 20 30 FFEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cs1 ZINC000178145267 510455726 /nfs/dbraw/zinc/45/57/26/510455726.db2.gz NDTPSELASAFRBW-GHMZBOCLSA-N 1 2 364.446 2.688 20 30 FFEDLO Cc1cccc([C@@H](CNC(=O)Cc2ccc(C#N)cc2)[NH+]2CCOCC2)c1 ZINC000194737852 510503808 /nfs/dbraw/zinc/50/38/08/510503808.db2.gz ZNGOHNNRVJPDEH-OAQYLSRUSA-N 1 2 363.461 2.599 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)cc1 ZINC000194843675 510553560 /nfs/dbraw/zinc/55/35/60/510553560.db2.gz QNUYCWWXZDTDLE-UHFFFAOYSA-N 1 2 363.461 2.844 20 30 FFEDLO CC(C)N(C)c1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cn1 ZINC000191218535 510554562 /nfs/dbraw/zinc/55/45/62/510554562.db2.gz BPZULUTVWXKZCZ-UHFFFAOYSA-N 1 2 350.470 2.515 20 30 FFEDLO N#Cc1ccc(F)c(CNC(=O)Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC000175367382 510611387 /nfs/dbraw/zinc/61/13/87/510611387.db2.gz LRHUSKAYXKMZRH-UHFFFAOYSA-N 1 2 368.412 2.851 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000246840271 510702786 /nfs/dbraw/zinc/70/27/86/510702786.db2.gz BQQUGPFLWNAERW-HWRSSNJWSA-N 1 2 355.463 2.755 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000246840271 510702795 /nfs/dbraw/zinc/70/27/95/510702795.db2.gz BQQUGPFLWNAERW-HWRSSNJWSA-N 1 2 355.463 2.755 20 30 FFEDLO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1nc(Cc2ccccc2)no1 ZINC000185396363 510833984 /nfs/dbraw/zinc/83/39/84/510833984.db2.gz PAHBOKDZGPPHNZ-AWEZNQCLSA-N 1 2 361.405 2.821 20 30 FFEDLO CCN1CCN(C(=O)NCC2(c3ccccc3)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329934705 510881313 /nfs/dbraw/zinc/88/13/13/510881313.db2.gz QRUURFBSDWDGFI-KRWDZBQOSA-N 1 2 353.470 2.734 20 30 FFEDLO C[C@@H]1C[C@@H](CNC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CCO1 ZINC000329934489 510881757 /nfs/dbraw/zinc/88/17/57/510881757.db2.gz JVDUUXVKGODILQ-UGUYLWEFSA-N 1 2 369.506 2.979 20 30 FFEDLO C[C@@H]1C[C@@H](CNC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CCO1 ZINC000329934489 510881760 /nfs/dbraw/zinc/88/17/60/510881760.db2.gz JVDUUXVKGODILQ-UGUYLWEFSA-N 1 2 369.506 2.979 20 30 FFEDLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000329945604 510884736 /nfs/dbraw/zinc/88/47/36/510884736.db2.gz JEJABNXCAXFVGN-JSGCOSHPSA-N 1 2 372.477 2.652 20 30 FFEDLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000329945604 510884743 /nfs/dbraw/zinc/88/47/43/510884743.db2.gz JEJABNXCAXFVGN-JSGCOSHPSA-N 1 2 372.477 2.652 20 30 FFEDLO COc1cccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1F ZINC000270520332 510893824 /nfs/dbraw/zinc/89/38/24/510893824.db2.gz RAUQGNAPFLEFBP-UHFFFAOYSA-N 1 2 353.397 2.664 20 30 FFEDLO CCN1CCN(C(=O)NCc2nc(C(C)C)cs2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329996598 510896055 /nfs/dbraw/zinc/89/60/55/510896055.db2.gz PEACYFQKUXXHDJ-AWEZNQCLSA-N 1 2 362.503 2.782 20 30 FFEDLO CCN1CCN(C(=O)NCc2nc(C3CC3)cs2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330002706 510898321 /nfs/dbraw/zinc/89/83/21/510898321.db2.gz ZBOWVVAVIVJZEG-CQSZACIVSA-N 1 2 360.487 2.536 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000275440863 510899874 /nfs/dbraw/zinc/89/98/74/510899874.db2.gz FIBXPILDOJSEHF-UHFFFAOYSA-N 1 2 359.429 2.875 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CC[C@](C)(O)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000330050831 510907779 /nfs/dbraw/zinc/90/77/79/510907779.db2.gz MKGKKUYHSNOPJJ-ZVZYQTTQSA-N 1 2 371.403 2.610 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)N2CC[C@](C)(O)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000330050831 510907785 /nfs/dbraw/zinc/90/77/85/510907785.db2.gz MKGKKUYHSNOPJJ-ZVZYQTTQSA-N 1 2 371.403 2.610 20 30 FFEDLO Cc1ccccc1C(=O)NC1CCN(c2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000330057527 510908870 /nfs/dbraw/zinc/90/88/70/510908870.db2.gz XQDDXWKMYHXARC-UHFFFAOYSA-N 1 2 354.458 2.528 20 30 FFEDLO Cc1ccccc1C(=O)NC1CCN(c2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC000330057527 510908876 /nfs/dbraw/zinc/90/88/76/510908876.db2.gz XQDDXWKMYHXARC-UHFFFAOYSA-N 1 2 354.458 2.528 20 30 FFEDLO CC(=O)N1CC[C@H](C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000330173903 510929903 /nfs/dbraw/zinc/92/99/03/510929903.db2.gz HUWJELPGQWEMFK-RKVPGOIHSA-N 1 2 359.470 2.752 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H](C)CO[C@H]1CCOC1 ZINC000330278931 510956154 /nfs/dbraw/zinc/95/61/54/510956154.db2.gz QGRPMQFOVWPWEJ-PMPSAXMXSA-N 1 2 350.463 2.538 20 30 FFEDLO CC[C@H]1CO[C@H](C)CN1CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000330312240 510962581 /nfs/dbraw/zinc/96/25/81/510962581.db2.gz ODYBAYSCBXSDJO-HIFRSBDPSA-N 1 2 352.504 2.826 20 30 FFEDLO CCN1CCN(C(=O)Nc2cnc3c(c2)CCCC3)C[C@H]1c1[nH]cc[nH+]1 ZINC000330333584 510966816 /nfs/dbraw/zinc/96/68/16/510966816.db2.gz PWMFITSAXRLGJZ-KRWDZBQOSA-N 1 2 354.458 2.608 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)CCO1 ZINC000330340287 510970336 /nfs/dbraw/zinc/97/03/36/510970336.db2.gz XSBRAJKKPDDSOE-NFAWXSAZSA-N 1 2 374.407 2.871 20 30 FFEDLO C=CCCCCCN(C)C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000285781231 511015121 /nfs/dbraw/zinc/01/51/21/511015121.db2.gz WVWAKILWBZGLPJ-UHFFFAOYSA-N 1 2 358.486 2.503 20 30 FFEDLO Cc1nc2ccc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2o1 ZINC000279330689 511047609 /nfs/dbraw/zinc/04/76/09/511047609.db2.gz AUNCVSMOSRQTAV-UHFFFAOYSA-N 1 2 360.417 2.966 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000270992215 511049413 /nfs/dbraw/zinc/04/94/13/511049413.db2.gz UTIXUSZUPPCCER-UHFFFAOYSA-N 1 2 351.454 2.759 20 30 FFEDLO CCCS(=O)(=O)N1CCC(NC(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000331340284 511062743 /nfs/dbraw/zinc/06/27/43/511062743.db2.gz SCHYYFMLNZLKLR-UHFFFAOYSA-N 1 2 368.503 2.537 20 30 FFEDLO Cc1ncc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)n1-c1ccccc1 ZINC000271046512 511066764 /nfs/dbraw/zinc/06/67/64/511066764.db2.gz QZUPVGCWSQPTRX-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO Cc1[nH+]cc(CN2CCN(c3cc(C#N)ccn3)CC2)n1-c1ccccc1 ZINC000271046512 511066769 /nfs/dbraw/zinc/06/67/69/511066769.db2.gz QZUPVGCWSQPTRX-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)N3CCC(C)(C#N)CC3)c[nH+]2)C[C@H](C)O1 ZINC000332046859 511075436 /nfs/dbraw/zinc/07/54/36/511075436.db2.gz KVWSTZJJXJTVFW-HOTGVXAUSA-N 1 2 371.485 2.530 20 30 FFEDLO C=CCOc1ccc(CC(=O)N2CCC[N@H+](Cc3cscn3)CC2)cc1 ZINC000294498212 511084451 /nfs/dbraw/zinc/08/44/51/511084451.db2.gz GVGNWDFQGRVCBV-UHFFFAOYSA-N 1 2 371.506 2.985 20 30 FFEDLO C=CCOc1ccc(CC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)cc1 ZINC000294498212 511084454 /nfs/dbraw/zinc/08/44/54/511084454.db2.gz GVGNWDFQGRVCBV-UHFFFAOYSA-N 1 2 371.506 2.985 20 30 FFEDLO C=CCC[C@@H](NC(=O)C(=O)N(C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000289404001 511101014 /nfs/dbraw/zinc/10/10/14/511101014.db2.gz QQNVHAWMAQEBFC-GOSISDBHSA-N 1 2 354.454 2.555 20 30 FFEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(c3ccncn3)CC2)cc1Cl ZINC000298034216 511151407 /nfs/dbraw/zinc/15/14/07/511151407.db2.gz CNKWZFMAXITZIV-UHFFFAOYSA-N 1 2 355.829 2.820 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc(OC)c1O ZINC000298486011 511301014 /nfs/dbraw/zinc/30/10/14/511301014.db2.gz WGEWCCFVQMOLSI-UHFFFAOYSA-N 1 2 371.412 2.742 20 30 FFEDLO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ncn(C)n1 ZINC000298605379 511346161 /nfs/dbraw/zinc/34/61/61/511346161.db2.gz SQHOPZPYQIBPKB-VXGBXAGGSA-N 1 2 372.498 2.552 20 30 FFEDLO COCCN(C)c1ccc(/C=C/C(=O)c2ccc(C(=O)N(C)C)cc2)c[nH+]1 ZINC000291851698 511364567 /nfs/dbraw/zinc/36/45/67/511364567.db2.gz FVVYABYFGMLCBI-VZUCSPMQSA-N 1 2 367.449 2.762 20 30 FFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365405590 511431689 /nfs/dbraw/zinc/43/16/89/511431689.db2.gz SSGBUWRELXOYDR-BATSVXPKSA-N 1 2 371.529 2.971 20 30 FFEDLO C=C(C)Cn1c(C)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000283606410 511431985 /nfs/dbraw/zinc/43/19/85/511431985.db2.gz MRTSNFCJTASUTR-INIZCTEOSA-N 1 2 361.515 2.734 20 30 FFEDLO NC(=[NH+]OC[C@H]1CCCS(=O)(=O)C1)c1cccc(Oc2ccccc2)c1 ZINC000283762095 511491294 /nfs/dbraw/zinc/49/12/94/511491294.db2.gz BBRUJGSFZAGAKQ-OAHLLOKOSA-N 1 2 374.462 2.941 20 30 FFEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000272592330 511500058 /nfs/dbraw/zinc/50/00/58/511500058.db2.gz ISQOLWFRMVPQDK-SFHVURJKSA-N 1 2 364.490 2.907 20 30 FFEDLO N#CCCN(C(=O)C[NH2+][C@H](CO)c1c(F)cccc1F)c1ccccc1 ZINC000272975485 511513601 /nfs/dbraw/zinc/51/36/01/511513601.db2.gz CWUZGOYZHMPODQ-QGZVFWFLSA-N 1 2 359.376 2.535 20 30 FFEDLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292288941 511539422 /nfs/dbraw/zinc/53/94/22/511539422.db2.gz UCIUVKSAZYVGNS-WFASDCNBSA-N 1 2 372.375 2.712 20 30 FFEDLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292288941 511539424 /nfs/dbraw/zinc/53/94/24/511539424.db2.gz UCIUVKSAZYVGNS-WFASDCNBSA-N 1 2 372.375 2.712 20 30 FFEDLO C=CC[N@@H+](Cc1cc(Cl)c(O)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000283937135 511549407 /nfs/dbraw/zinc/54/94/07/511549407.db2.gz HQYKAJXYKWVQCB-ZDUSSCGKSA-N 1 2 359.875 2.619 20 30 FFEDLO C=CC[N@H+](Cc1cc(Cl)c(O)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000283937135 511549411 /nfs/dbraw/zinc/54/94/11/511549411.db2.gz HQYKAJXYKWVQCB-ZDUSSCGKSA-N 1 2 359.875 2.619 20 30 FFEDLO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c([N+](=O)[O-])cc1F ZINC000292375434 511572956 /nfs/dbraw/zinc/57/29/56/511572956.db2.gz YVXTZKYHTFEZFL-CQSZACIVSA-N 1 2 372.356 2.662 20 30 FFEDLO COc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c([N+](=O)[O-])cc1F ZINC000292375434 511572959 /nfs/dbraw/zinc/57/29/59/511572959.db2.gz YVXTZKYHTFEZFL-CQSZACIVSA-N 1 2 372.356 2.662 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+](Cc2ccco2)CC1 ZINC000280934936 511659151 /nfs/dbraw/zinc/65/91/51/511659151.db2.gz JBBLCKLQHNNHBQ-UHFFFAOYSA-N 1 2 358.829 2.561 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000280970121 511672442 /nfs/dbraw/zinc/67/24/42/511672442.db2.gz KLCINZYBRXFPQN-SFHVURJKSA-N 1 2 372.494 2.776 20 30 FFEDLO C#CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)C1CC1 ZINC000274014157 511692777 /nfs/dbraw/zinc/69/27/77/511692777.db2.gz BBGIEZAEOVEJAK-SFHVURJKSA-N 1 2 354.450 2.609 20 30 FFEDLO C#CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)C1CC1 ZINC000274014157 511692784 /nfs/dbraw/zinc/69/27/84/511692784.db2.gz BBGIEZAEOVEJAK-SFHVURJKSA-N 1 2 354.450 2.609 20 30 FFEDLO Cc1cn2c([nH+]1)CN(C(=O)c1occc1COc1cccc(C#N)c1)CC2 ZINC000363672200 511694973 /nfs/dbraw/zinc/69/49/73/511694973.db2.gz IVLCCYBBMPNTIK-UHFFFAOYSA-N 1 2 362.389 2.891 20 30 FFEDLO Cc1ccc(NC(=O)N2CC[NH+](CCOCCC#N)CC2)cc1Cl ZINC000292718653 511697270 /nfs/dbraw/zinc/69/72/70/511697270.db2.gz AKGRLXFKMPFMIP-UHFFFAOYSA-N 1 2 350.850 2.728 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(c3nc[nH]n3)CC2)cc1 ZINC000365918099 511726780 /nfs/dbraw/zinc/72/67/80/511726780.db2.gz HFBGVZUIMRIJSC-INIZCTEOSA-N 1 2 366.469 2.628 20 30 FFEDLO N#Cc1cc(Br)cnc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000296477523 511758872 /nfs/dbraw/zinc/75/88/72/511758872.db2.gz KHCOWAODMZTNSQ-UHFFFAOYSA-N 1 2 374.242 2.559 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1=O ZINC000281391202 511829238 /nfs/dbraw/zinc/82/92/38/511829238.db2.gz WWODFMLWZSJWPX-MRXNPFEDSA-N 1 2 372.450 2.937 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1=O ZINC000281391202 511829242 /nfs/dbraw/zinc/82/92/42/511829242.db2.gz WWODFMLWZSJWPX-MRXNPFEDSA-N 1 2 372.450 2.937 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000284789893 511871215 /nfs/dbraw/zinc/87/12/15/511871215.db2.gz IXRLPHDLYRBDPK-OALUTQOASA-N 1 2 353.422 2.604 20 30 FFEDLO Cc1oc(C#N)cc1C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000284789893 511871216 /nfs/dbraw/zinc/87/12/16/511871216.db2.gz IXRLPHDLYRBDPK-OALUTQOASA-N 1 2 353.422 2.604 20 30 FFEDLO CNC(=O)c1ccc([C@@H]2CCCC[N@@H+]2CC(=O)N[C@](C)(C#N)C2CC2)n1C ZINC000328629920 511899761 /nfs/dbraw/zinc/89/97/61/511899761.db2.gz ITYCMXAHYDQFOY-OXJNMPFZSA-N 1 2 371.485 2.560 20 30 FFEDLO CNC(=O)c1ccc([C@@H]2CCCC[N@H+]2CC(=O)N[C@](C)(C#N)C2CC2)n1C ZINC000328629920 511899764 /nfs/dbraw/zinc/89/97/64/511899764.db2.gz ITYCMXAHYDQFOY-OXJNMPFZSA-N 1 2 371.485 2.560 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C1CCN(c3cnccn3)CC1)CCC2 ZINC000328644138 511905653 /nfs/dbraw/zinc/90/56/53/511905653.db2.gz FTWFZIARYMBCMU-MRXNPFEDSA-N 1 2 354.458 2.732 20 30 FFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)C[C@@H](C)NC(=O)C2CCCC2)CC1 ZINC000328644714 511906351 /nfs/dbraw/zinc/90/63/51/511906351.db2.gz AOROKYMSIWSIES-MRXNPFEDSA-N 1 2 358.486 2.964 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1csc(-c3nc[nH]n3)n1)C2 ZINC000328658453 511911292 /nfs/dbraw/zinc/91/12/92/511911292.db2.gz RBVQSBZSKYMCAD-JTQLQIEISA-N 1 2 371.470 2.742 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CCN1C(=O)[C@@H]3CCCC[C@H]3C1=O)CCC2 ZINC000328765456 511928466 /nfs/dbraw/zinc/92/84/66/511928466.db2.gz DZLNJURRORARBE-ARFHVFGLSA-N 1 2 372.469 2.591 20 30 FFEDLO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000328794597 511933060 /nfs/dbraw/zinc/93/30/60/511933060.db2.gz BMMAVUAWJSIBAG-CQSZACIVSA-N 1 2 367.515 2.761 20 30 FFEDLO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000328794597 511933067 /nfs/dbraw/zinc/93/30/67/511933067.db2.gz BMMAVUAWJSIBAG-CQSZACIVSA-N 1 2 367.515 2.761 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1)CCC2 ZINC000328912507 511948837 /nfs/dbraw/zinc/94/88/37/511948837.db2.gz PAVUGFUZJWULQN-KBPBESRZSA-N 1 2 373.423 2.551 20 30 FFEDLO C[C@@H](C(=O)NCCC1CCS(=O)(=O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000328998489 511965110 /nfs/dbraw/zinc/96/51/10/511965110.db2.gz KNSGYQMWHVICQP-HNNXBMFYSA-N 1 2 364.511 2.605 20 30 FFEDLO C[C@@H](C(=O)NCCC1CCS(=O)(=O)CC1)[N@H+]1CCc2ccccc2C1 ZINC000328998489 511965114 /nfs/dbraw/zinc/96/51/14/511965114.db2.gz KNSGYQMWHVICQP-HNNXBMFYSA-N 1 2 364.511 2.605 20 30 FFEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329037435 511972174 /nfs/dbraw/zinc/97/21/74/511972174.db2.gz NHJGWILNKKPYKA-TZMCWYRMSA-N 1 2 358.446 2.763 20 30 FFEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329037435 511972177 /nfs/dbraw/zinc/97/21/77/511972177.db2.gz NHJGWILNKKPYKA-TZMCWYRMSA-N 1 2 358.446 2.763 20 30 FFEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(C(=O)CCc2nccs2)CC1 ZINC000329038497 511972331 /nfs/dbraw/zinc/97/23/31/511972331.db2.gz ZNXAESQKCLAKJU-AWEZNQCLSA-N 1 2 364.515 2.508 20 30 FFEDLO CC(=O)N1CC[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)CC12CCCCC2 ZINC000329048798 511973207 /nfs/dbraw/zinc/97/32/07/511973207.db2.gz QQSFRVFPFKCKNG-UHFFFAOYSA-N 1 2 373.453 2.870 20 30 FFEDLO CC(=O)N1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)CC12CCCCC2 ZINC000329048798 511973212 /nfs/dbraw/zinc/97/32/12/511973212.db2.gz QQSFRVFPFKCKNG-UHFFFAOYSA-N 1 2 373.453 2.870 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NC1CCC(F)(F)CC1)C1CCOCC1 ZINC000329084695 511979700 /nfs/dbraw/zinc/97/97/00/511979700.db2.gz TXMQOYKFZCLZGR-AWEZNQCLSA-N 1 2 356.417 2.969 20 30 FFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000329120279 511986639 /nfs/dbraw/zinc/98/66/39/511986639.db2.gz PSARCCPANZTJLH-APWZRJJASA-N 1 2 356.426 2.560 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1cnc3c(c1)NC(=O)CO3)C2 ZINC000329118765 511987474 /nfs/dbraw/zinc/98/74/74/511987474.db2.gz ORFHSQORMDCLLY-LBPRGKRZSA-N 1 2 369.425 2.876 20 30 FFEDLO O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329266152 512016518 /nfs/dbraw/zinc/01/65/18/512016518.db2.gz HIPMASBTRYQUAN-CFVMTHIKSA-N 1 2 357.414 2.583 20 30 FFEDLO Cc1cc(NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329361279 512033574 /nfs/dbraw/zinc/03/35/74/512033574.db2.gz YITDWFCTZGIUND-HOCLYGCPSA-N 1 2 371.485 2.667 20 30 FFEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329475280 512054013 /nfs/dbraw/zinc/05/40/13/512054013.db2.gz OZMNMZFCIXEQPL-IBGZPJMESA-N 1 2 373.497 2.939 20 30 FFEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329475280 512054020 /nfs/dbraw/zinc/05/40/20/512054020.db2.gz OZMNMZFCIXEQPL-IBGZPJMESA-N 1 2 373.497 2.939 20 30 FFEDLO NC(=O)NC(=O)C1CCC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329539757 512066162 /nfs/dbraw/zinc/06/61/62/512066162.db2.gz MVCLDLFXXKXRQZ-PIMMBPRGSA-N 1 2 366.462 2.594 20 30 FFEDLO NC(=O)NC(=O)C1CCC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329539757 512066167 /nfs/dbraw/zinc/06/61/67/512066167.db2.gz MVCLDLFXXKXRQZ-PIMMBPRGSA-N 1 2 366.462 2.594 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@]1(C)CCO[C@H]1C1CC1)C2 ZINC000329762152 512094417 /nfs/dbraw/zinc/09/44/17/512094417.db2.gz SGHZXBDYVIZLRZ-GZRFBZBPSA-N 1 2 360.502 2.957 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@]1(C)CCO[C@H]1C1CC1)C2 ZINC000329762152 512094419 /nfs/dbraw/zinc/09/44/19/512094419.db2.gz SGHZXBDYVIZLRZ-GZRFBZBPSA-N 1 2 360.502 2.957 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@@]2(CCOC2)C1)c1ccccc1F ZINC000329767865 512095153 /nfs/dbraw/zinc/09/51/53/512095153.db2.gz FXHDVGOFHFZLRS-VQIMIIECSA-N 1 2 358.417 2.675 20 30 FFEDLO O=C(C[N@@H+]1CCO[C@]2(CCOC2)C1)NCCc1cccc(Cl)c1Cl ZINC000329891281 512105646 /nfs/dbraw/zinc/10/56/46/512105646.db2.gz HQAHJDUTWFRQKJ-QGZVFWFLSA-N 1 2 373.280 2.984 20 30 FFEDLO O=C(C[N@H+]1CCO[C@]2(CCOC2)C1)NCCc1cccc(Cl)c1Cl ZINC000329891281 512105648 /nfs/dbraw/zinc/10/56/48/512105648.db2.gz HQAHJDUTWFRQKJ-QGZVFWFLSA-N 1 2 373.280 2.984 20 30 FFEDLO N#Cc1c(Br)cccc1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000377990416 512539237 /nfs/dbraw/zinc/53/92/37/512539237.db2.gz PIKOFOVXXUHNDK-HNNXBMFYSA-N 1 2 361.243 2.994 20 30 FFEDLO CCC[C@@](C)([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)OC ZINC000411276444 512557952 /nfs/dbraw/zinc/55/79/52/512557952.db2.gz MHJXGKOBAMMQLU-QGZVFWFLSA-N 1 2 351.834 2.862 20 30 FFEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC([C@H]3C(=O)Nc4ccccc43)CC2)c1 ZINC000373981035 512604401 /nfs/dbraw/zinc/60/44/01/512604401.db2.gz LOGRROHVQSMMIH-OAQYLSRUSA-N 1 2 374.444 2.945 20 30 FFEDLO Cc1cc(-c2noc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)n2)ccc1F ZINC000371934418 512642300 /nfs/dbraw/zinc/64/23/00/512642300.db2.gz SSNTZKHYEZAVNB-STQMWFEESA-N 1 2 359.405 2.595 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)CCC2 ZINC000372132800 512730545 /nfs/dbraw/zinc/73/05/45/512730545.db2.gz YEAFTYFNAOUWEV-LBPRGKRZSA-N 1 2 364.858 2.573 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3ccccn3)CC2)cc1 ZINC000372227717 512770616 /nfs/dbraw/zinc/77/06/16/512770616.db2.gz GQEDXYQVWMGTDD-UHFFFAOYSA-N 1 2 355.463 2.607 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000370114765 512774574 /nfs/dbraw/zinc/77/45/74/512774574.db2.gz VIGGRLJUFACFOQ-ZDUSSCGKSA-N 1 2 350.469 2.752 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)CCc1c(C)nn(CCC#N)c1C)CCC2 ZINC000372251143 512781840 /nfs/dbraw/zinc/78/18/40/512781840.db2.gz XLBAGQPPAFXSMF-QGZVFWFLSA-N 1 2 368.485 2.545 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](c3ccnn3C)C2)c(C#N)c1C ZINC000370206252 512820922 /nfs/dbraw/zinc/82/09/22/512820922.db2.gz LKIIPGYIPQRYAB-AWEZNQCLSA-N 1 2 357.483 2.788 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c(C#N)c1C ZINC000370206252 512820928 /nfs/dbraw/zinc/82/09/28/512820928.db2.gz LKIIPGYIPQRYAB-AWEZNQCLSA-N 1 2 357.483 2.788 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000412022702 512915360 /nfs/dbraw/zinc/91/53/60/512915360.db2.gz AVVPTTGPXHNJNT-AWEZNQCLSA-N 1 2 357.483 2.819 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000412022702 512915364 /nfs/dbraw/zinc/91/53/64/512915364.db2.gz AVVPTTGPXHNJNT-AWEZNQCLSA-N 1 2 357.483 2.819 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1)OCC ZINC000372536993 512927105 /nfs/dbraw/zinc/92/71/05/512927105.db2.gz APYYJZLIDLWNNS-IAGOWNOFSA-N 1 2 364.490 2.562 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1)OCC ZINC000372536993 512927107 /nfs/dbraw/zinc/92/71/07/512927107.db2.gz APYYJZLIDLWNNS-IAGOWNOFSA-N 1 2 364.490 2.562 20 30 FFEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000368469108 512963488 /nfs/dbraw/zinc/96/34/88/512963488.db2.gz FANONMTUHVTBPY-AWEZNQCLSA-N 1 2 362.393 2.880 20 30 FFEDLO Cc1cn2c([nH+]1)CN(CC(=O)N(CCC#N)c1cccc(C)c1C)CC2 ZINC000374704737 512964235 /nfs/dbraw/zinc/96/42/35/512964235.db2.gz YNVFTPKUUYWPNX-UHFFFAOYSA-N 1 2 351.454 2.571 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000376736773 512965426 /nfs/dbraw/zinc/96/54/26/512965426.db2.gz MORKWLJBSALZMG-UHFFFAOYSA-N 1 2 368.868 2.909 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000412119577 512968892 /nfs/dbraw/zinc/96/88/92/512968892.db2.gz YCXNIBPHBUOKOJ-ORYQWCPZSA-N 1 2 360.461 2.962 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H](O)COc3ccccc3F)CCO2)c1 ZINC000372840999 513069019 /nfs/dbraw/zinc/06/90/19/513069019.db2.gz WIJXZGRGBMPQRV-YLJYHZDGSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H](O)COc3ccccc3F)CCO2)c1 ZINC000372840999 513069026 /nfs/dbraw/zinc/06/90/26/513069026.db2.gz WIJXZGRGBMPQRV-YLJYHZDGSA-N 1 2 356.397 2.511 20 30 FFEDLO CCCc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1Cl ZINC000409495332 513113952 /nfs/dbraw/zinc/11/39/52/513113952.db2.gz MHEIPIMGLVJCKC-UHFFFAOYSA-N 1 2 363.889 2.981 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000446059947 513174413 /nfs/dbraw/zinc/17/44/13/513174413.db2.gz GMQYNVKVYNBYQA-WMLDXEAASA-N 1 2 361.511 2.970 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000446059947 513174419 /nfs/dbraw/zinc/17/44/19/513174419.db2.gz GMQYNVKVYNBYQA-WMLDXEAASA-N 1 2 361.511 2.970 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3csc(-c4ncccn4)n3)C2)nc1 ZINC000428771023 513185983 /nfs/dbraw/zinc/18/59/83/513185983.db2.gz GWSXXSHLQUWNCB-HNNXBMFYSA-N 1 2 364.434 2.520 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3csc(-c4ncccn4)n3)C2)nc1 ZINC000428771023 513185987 /nfs/dbraw/zinc/18/59/87/513185987.db2.gz GWSXXSHLQUWNCB-HNNXBMFYSA-N 1 2 364.434 2.520 20 30 FFEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000428856036 513210891 /nfs/dbraw/zinc/21/08/91/513210891.db2.gz JHCCNCMOJXGZGB-AWEZNQCLSA-N 1 2 357.223 2.730 20 30 FFEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000428856036 513210894 /nfs/dbraw/zinc/21/08/94/513210894.db2.gz JHCCNCMOJXGZGB-AWEZNQCLSA-N 1 2 357.223 2.730 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@]2(C#N)C[C@H]2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000450529312 513237882 /nfs/dbraw/zinc/23/78/82/513237882.db2.gz UCSARXMDJKFBTF-HBSOVNDASA-N 1 2 351.372 2.905 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)[C@]2(C#N)C[C@H]2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000450529312 513237887 /nfs/dbraw/zinc/23/78/87/513237887.db2.gz UCSARXMDJKFBTF-HBSOVNDASA-N 1 2 351.372 2.905 20 30 FFEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000429261649 513320093 /nfs/dbraw/zinc/32/00/93/513320093.db2.gz BPRDJGOOPPTORW-MRXNPFEDSA-N 1 2 366.440 2.524 20 30 FFEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000429261649 513320098 /nfs/dbraw/zinc/32/00/98/513320098.db2.gz BPRDJGOOPPTORW-MRXNPFEDSA-N 1 2 366.440 2.524 20 30 FFEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000429266153 513321519 /nfs/dbraw/zinc/32/15/19/513321519.db2.gz SUDYTCBCBFVLKR-OAHLLOKOSA-N 1 2 352.413 2.847 20 30 FFEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000429266153 513321525 /nfs/dbraw/zinc/32/15/25/513321525.db2.gz SUDYTCBCBFVLKR-OAHLLOKOSA-N 1 2 352.413 2.847 20 30 FFEDLO CC1CCC(N(C)C(=O)C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 ZINC000440615788 513363805 /nfs/dbraw/zinc/36/38/05/513363805.db2.gz CMXZMSNGNANSSA-MNLRITNHSA-N 1 2 368.525 2.906 20 30 FFEDLO CN(C)c1ccc(CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)c[nH+]1 ZINC000429722187 513451855 /nfs/dbraw/zinc/45/18/55/513451855.db2.gz SATQVRUTEOSGSB-UHFFFAOYSA-N 1 2 374.448 2.855 20 30 FFEDLO Cc1cc(N2CCN(C(=O)c3ccccc3OC(F)F)CC2)c(C#N)c[nH+]1 ZINC000425210946 513454328 /nfs/dbraw/zinc/45/43/28/513454328.db2.gz SFNRKCWFHNYRDX-UHFFFAOYSA-N 1 2 372.375 2.826 20 30 FFEDLO CCc1cc(N)nc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)[nH+]1 ZINC000447783237 513567404 /nfs/dbraw/zinc/56/74/04/513567404.db2.gz OBJIGVSPLQFPHC-CYBMUJFWSA-N 1 2 355.467 2.879 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000425539666 513627051 /nfs/dbraw/zinc/62/70/51/513627051.db2.gz UEXSVDGHOFFHFM-CQSZACIVSA-N 1 2 373.434 2.933 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000425539666 513627060 /nfs/dbraw/zinc/62/70/60/513627060.db2.gz UEXSVDGHOFFHFM-CQSZACIVSA-N 1 2 373.434 2.933 20 30 FFEDLO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000441861279 513636175 /nfs/dbraw/zinc/63/61/75/513636175.db2.gz HYBHAEGMMPTLGT-UHFFFAOYSA-N 1 2 364.405 2.661 20 30 FFEDLO COC1(C(F)(F)F)CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000419356345 513785994 /nfs/dbraw/zinc/78/59/94/513785994.db2.gz SURDKHBHHYJNHN-LBPRGKRZSA-N 1 2 355.360 2.929 20 30 FFEDLO COC1(C(F)(F)F)CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000419356341 513786252 /nfs/dbraw/zinc/78/62/52/513786252.db2.gz SURDKHBHHYJNHN-GFCCVEGCSA-N 1 2 355.360 2.929 20 30 FFEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000448588191 513796817 /nfs/dbraw/zinc/79/68/17/513796817.db2.gz UHYZHAJDJAQCQK-UHFFFAOYSA-N 1 2 372.856 2.685 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)c(O)c1)c1ccccc1F ZINC000442898291 513807417 /nfs/dbraw/zinc/80/74/17/513807417.db2.gz KLASKASBCIEVAO-KRWDZBQOSA-N 1 2 350.353 2.656 20 30 FFEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c1F ZINC000436268068 513813226 /nfs/dbraw/zinc/81/32/26/513813226.db2.gz ZKWOAJRVEYLLTF-UXHICEINSA-N 1 2 351.425 2.783 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c1F ZINC000436268068 513813229 /nfs/dbraw/zinc/81/32/29/513813229.db2.gz ZKWOAJRVEYLLTF-UXHICEINSA-N 1 2 351.425 2.783 20 30 FFEDLO N#Cc1cccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1F ZINC000436268068 513813234 /nfs/dbraw/zinc/81/32/34/513813234.db2.gz ZKWOAJRVEYLLTF-UXHICEINSA-N 1 2 351.425 2.783 20 30 FFEDLO N#Cc1cccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1F ZINC000436268068 513813238 /nfs/dbraw/zinc/81/32/38/513813238.db2.gz ZKWOAJRVEYLLTF-UXHICEINSA-N 1 2 351.425 2.783 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)Nc1ccccc1C#N ZINC000431099057 513826439 /nfs/dbraw/zinc/82/64/39/513826439.db2.gz QIIUQTIAJHWBNN-WDEREUQCSA-N 1 2 374.242 2.789 20 30 FFEDLO Cc1sc2nc(C)nc(SC[C@@H](O)C[N@H+](C)CCC#N)c2c1C ZINC000414096999 513974278 /nfs/dbraw/zinc/97/42/78/513974278.db2.gz MOKRZXQHHZGMNM-ZDUSSCGKSA-N 1 2 350.513 2.915 20 30 FFEDLO Cc1sc2nc(C)nc(SC[C@@H](O)C[N@@H+](C)CCC#N)c2c1C ZINC000414096999 513974286 /nfs/dbraw/zinc/97/42/86/513974286.db2.gz MOKRZXQHHZGMNM-ZDUSSCGKSA-N 1 2 350.513 2.915 20 30 FFEDLO C[C@H](Cc1nnc(SC[C@@H](O)C[N@H+](C)CCC#N)o1)c1ccccc1 ZINC000414136135 513984721 /nfs/dbraw/zinc/98/47/21/513984721.db2.gz HQTJPMDSOVQZOJ-ZBFHGGJFSA-N 1 2 360.483 2.714 20 30 FFEDLO C[C@H](Cc1nnc(SC[C@@H](O)C[N@@H+](C)CCC#N)o1)c1ccccc1 ZINC000414136135 513984728 /nfs/dbraw/zinc/98/47/28/513984728.db2.gz HQTJPMDSOVQZOJ-ZBFHGGJFSA-N 1 2 360.483 2.714 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000448953931 513990921 /nfs/dbraw/zinc/99/09/21/513990921.db2.gz IPACBZJTCKZNTL-IYOUNJFTSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000448953931 513990935 /nfs/dbraw/zinc/99/09/35/513990935.db2.gz IPACBZJTCKZNTL-IYOUNJFTSA-N 1 2 350.409 2.637 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000432283014 514147473 /nfs/dbraw/zinc/14/74/73/514147473.db2.gz DVFGCICUNRVSKX-GOSISDBHSA-N 1 2 366.446 3.000 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H](C)[NH2+]Cc2ccc(F)cc21 ZINC000420455941 514154226 /nfs/dbraw/zinc/15/42/26/514154226.db2.gz GVZNXWLNPMPLNC-CYBMUJFWSA-N 1 2 359.426 2.693 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000432399129 514183148 /nfs/dbraw/zinc/18/31/48/514183148.db2.gz GJGADARPCXNCSI-UHFFFAOYSA-N 1 2 363.396 2.879 20 30 FFEDLO CC(C)(C)Oc1ccc(NC(=O)NC(C)(C)C[NH+]2CCOCC2)cc1C#N ZINC000417198645 514224974 /nfs/dbraw/zinc/22/49/74/514224974.db2.gz WLVGFMBDKBXWDI-UHFFFAOYSA-N 1 2 374.485 2.968 20 30 FFEDLO C=C(C)COCCNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000427539428 514244312 /nfs/dbraw/zinc/24/43/12/514244312.db2.gz HNLMUKSOSDUCML-UHFFFAOYSA-N 1 2 369.421 2.830 20 30 FFEDLO COC(=O)c1cc([C@H](C)[NH+]2CCN(c3cccc(C#N)n3)CC2)oc1C ZINC000432862008 514305562 /nfs/dbraw/zinc/30/55/62/514305562.db2.gz DAAZSAHCUJTSRI-ZDUSSCGKSA-N 1 2 354.410 2.525 20 30 FFEDLO N#Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1C(F)(F)F ZINC000432959399 514336075 /nfs/dbraw/zinc/33/60/75/514336075.db2.gz HSDKSRPFFVIIDK-CQSZACIVSA-N 1 2 368.359 2.562 20 30 FFEDLO N#Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1C(F)(F)F ZINC000432959399 514336083 /nfs/dbraw/zinc/33/60/83/514336083.db2.gz HSDKSRPFFVIIDK-CQSZACIVSA-N 1 2 368.359 2.562 20 30 FFEDLO COc1ccc2c(c1)OC(C)(C)C[N@H+]([C@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000421044232 514456677 /nfs/dbraw/zinc/45/66/77/514456677.db2.gz SCEFEUDKXYTKMA-CQSZACIVSA-N 1 2 357.454 2.619 20 30 FFEDLO COc1ccc2c(c1)OC(C)(C)C[N@@H+]([C@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000421044232 514456680 /nfs/dbraw/zinc/45/66/80/514456680.db2.gz SCEFEUDKXYTKMA-CQSZACIVSA-N 1 2 357.454 2.619 20 30 FFEDLO N#C[C@H](CCc1ccccc1)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000433371351 514474945 /nfs/dbraw/zinc/47/49/45/514474945.db2.gz CWWNHVWABXJLKU-FQEVSTJZSA-N 1 2 363.461 2.809 20 30 FFEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000465942849 514527968 /nfs/dbraw/zinc/52/79/68/514527968.db2.gz NNMCHYWKFYGJEF-RBUKOAKNSA-N 1 2 370.497 2.579 20 30 FFEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000465942849 514527979 /nfs/dbraw/zinc/52/79/79/514527979.db2.gz NNMCHYWKFYGJEF-RBUKOAKNSA-N 1 2 370.497 2.579 20 30 FFEDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)nc1 ZINC000450213244 514544688 /nfs/dbraw/zinc/54/46/88/514544688.db2.gz FFRXPCYUDCZCRS-UHFFFAOYSA-N 1 2 368.412 2.591 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)c(Cl)c1 ZINC000439432105 514549732 /nfs/dbraw/zinc/54/97/32/514549732.db2.gz SDSJKIQKTUVKQE-UHFFFAOYSA-N 1 2 354.841 2.633 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000497723412 514610783 /nfs/dbraw/zinc/61/07/83/514610783.db2.gz SLTGGWRGKUVDIQ-MRXNPFEDSA-N 1 2 360.417 2.887 20 30 FFEDLO N#Cc1ccc2[nH+]cc(CNc3cccc(N4C(=O)CCCC4=O)c3)n2c1 ZINC000475337318 514626456 /nfs/dbraw/zinc/62/64/56/514626456.db2.gz ZVKFGUBGXDYOEV-UHFFFAOYSA-N 1 2 359.389 2.862 20 30 FFEDLO C=CC[C@@H](CC)NC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000466407751 514638999 /nfs/dbraw/zinc/63/89/99/514638999.db2.gz XMVIABLOGVUJNZ-QGZVFWFLSA-N 1 2 361.486 2.886 20 30 FFEDLO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471006686 514713079 /nfs/dbraw/zinc/71/30/79/514713079.db2.gz OEXWWYIFUPXFCG-QFBILLFUSA-N 1 2 374.916 2.923 20 30 FFEDLO CCC(C)(C)NC(=O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471018348 514718590 /nfs/dbraw/zinc/71/85/90/514718590.db2.gz NFJWZKHIJBPRAL-QGZVFWFLSA-N 1 2 362.905 2.827 20 30 FFEDLO N#Cc1ccnc(NCc2[nH+]ccn2CCCc2ccccc2)c1[N+](=O)[O-] ZINC000471051645 514732163 /nfs/dbraw/zinc/73/21/63/514732163.db2.gz ZZIKRQDHISBGMN-UHFFFAOYSA-N 1 2 362.393 2.725 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000458389151 514757624 /nfs/dbraw/zinc/75/76/24/514757624.db2.gz ZFHYRQOKCFJSJM-LSDHHAIUSA-N 1 2 367.440 2.556 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000458389151 514757630 /nfs/dbraw/zinc/75/76/30/514757630.db2.gz ZFHYRQOKCFJSJM-LSDHHAIUSA-N 1 2 367.440 2.556 20 30 FFEDLO C[C@H](C(=O)N1CCC[N@H+](Cc2cscn2)CC1)c1cccc(C#N)c1 ZINC000462015366 514831648 /nfs/dbraw/zinc/83/16/48/514831648.db2.gz OHXJCVLYTXVIIH-HNNXBMFYSA-N 1 2 354.479 2.853 20 30 FFEDLO C[C@H](C(=O)N1CCC[N@@H+](Cc2cscn2)CC1)c1cccc(C#N)c1 ZINC000462015366 514831657 /nfs/dbraw/zinc/83/16/57/514831657.db2.gz OHXJCVLYTXVIIH-HNNXBMFYSA-N 1 2 354.479 2.853 20 30 FFEDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489462207 514855772 /nfs/dbraw/zinc/85/57/72/514855772.db2.gz JXNSGAKWZDESNI-HNNXBMFYSA-N 1 2 373.453 2.592 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489462207 514855784 /nfs/dbraw/zinc/85/57/84/514855784.db2.gz JXNSGAKWZDESNI-HNNXBMFYSA-N 1 2 373.453 2.592 20 30 FFEDLO C=CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000508846584 514917884 /nfs/dbraw/zinc/91/78/84/514917884.db2.gz HHFFEGHLYIASRS-IBGZPJMESA-N 1 2 367.497 2.604 20 30 FFEDLO C=CCC(CC=C)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000467319460 514976107 /nfs/dbraw/zinc/97/61/07/514976107.db2.gz YCOOBDJHQUNRBN-UHFFFAOYSA-N 1 2 361.530 2.596 20 30 FFEDLO COCC[N@H+](Cc1ccnn1C)Cc1ccc(C#N)cc1OC(F)F ZINC000489887376 515016698 /nfs/dbraw/zinc/01/66/98/515016698.db2.gz MYRUJFUCJPXPNY-UHFFFAOYSA-N 1 2 350.369 2.542 20 30 FFEDLO COCC[N@@H+](Cc1ccnn1C)Cc1ccc(C#N)cc1OC(F)F ZINC000489887376 515016709 /nfs/dbraw/zinc/01/67/09/515016709.db2.gz MYRUJFUCJPXPNY-UHFFFAOYSA-N 1 2 350.369 2.542 20 30 FFEDLO CCC[N@H+](CC(=O)N(CC)CCC#N)[C@H](C)C(=O)Nc1ccccc1C ZINC000490037967 515077138 /nfs/dbraw/zinc/07/71/38/515077138.db2.gz ZKIOMYSRYMKHOB-QGZVFWFLSA-N 1 2 358.486 2.796 20 30 FFEDLO CCC[N@@H+](CC(=O)N(CC)CCC#N)[C@H](C)C(=O)Nc1ccccc1C ZINC000490037967 515077147 /nfs/dbraw/zinc/07/71/47/515077147.db2.gz ZKIOMYSRYMKHOB-QGZVFWFLSA-N 1 2 358.486 2.796 20 30 FFEDLO C=CCC(C)(C)CNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000458807943 515109878 /nfs/dbraw/zinc/10/98/78/515109878.db2.gz HKOZIJOLBBDPNW-UHFFFAOYSA-N 1 2 355.486 2.764 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000498903692 515110135 /nfs/dbraw/zinc/11/01/35/515110135.db2.gz AQQKRGDGXQXSOQ-ZSZQSSIHSA-N 1 2 358.486 2.723 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458831249 515127703 /nfs/dbraw/zinc/12/77/03/515127703.db2.gz GXSNHTHCWMDZIN-YZGWKJHDSA-N 1 2 370.497 2.926 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456374619 515139164 /nfs/dbraw/zinc/13/91/64/515139164.db2.gz JQIJOTSFSUFPBY-HIFRSBDPSA-N 1 2 354.410 2.745 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](CC)CN1C(C)=O ZINC000472348527 515238437 /nfs/dbraw/zinc/23/84/37/515238437.db2.gz JCEPFCRNQVRYTC-ZWKOTPCHSA-N 1 2 367.453 2.830 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](CC)CN1C(C)=O ZINC000472348527 515238440 /nfs/dbraw/zinc/23/84/40/515238440.db2.gz JCEPFCRNQVRYTC-ZWKOTPCHSA-N 1 2 367.453 2.830 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000499272041 515263918 /nfs/dbraw/zinc/26/39/18/515263918.db2.gz GEMIWTUSCUBBHG-MOPGFXCFSA-N 1 2 371.481 2.568 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000499272041 515263927 /nfs/dbraw/zinc/26/39/27/515263927.db2.gz GEMIWTUSCUBBHG-MOPGFXCFSA-N 1 2 371.481 2.568 20 30 FFEDLO N#Cc1cccc(-c2cc(C(=O)NCCc3cn4c([nH+]3)CCCC4)on2)c1 ZINC000468234776 515275273 /nfs/dbraw/zinc/27/52/73/515275273.db2.gz MODADZUOBLPMLW-UHFFFAOYSA-N 1 2 361.405 2.719 20 30 FFEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000481534425 515368520 /nfs/dbraw/zinc/36/85/20/515368520.db2.gz GLMSGZWJTOSCRW-UHFFFAOYSA-N 1 2 366.343 2.791 20 30 FFEDLO CCO[C@@H]1CCCC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000459179481 515379151 /nfs/dbraw/zinc/37/91/51/515379151.db2.gz WWPXFLQBPHLMBM-WOJBJXKFSA-N 1 2 370.497 2.733 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)C1=O ZINC000499936504 515521571 /nfs/dbraw/zinc/52/15/71/515521571.db2.gz AAHAEXOQQVGMDD-FXAWDEMLSA-N 1 2 369.509 2.532 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)C1=O ZINC000499936504 515521580 /nfs/dbraw/zinc/52/15/80/515521580.db2.gz AAHAEXOQQVGMDD-FXAWDEMLSA-N 1 2 369.509 2.532 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2cccs2)C(C)(C)C)C1=O ZINC000500017308 515560781 /nfs/dbraw/zinc/56/07/81/515560781.db2.gz UIZIPAGHGCCGOO-YOEHRIQHSA-N 1 2 363.527 2.670 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2cccs2)C(C)(C)C)C1=O ZINC000500017308 515560792 /nfs/dbraw/zinc/56/07/92/515560792.db2.gz UIZIPAGHGCCGOO-YOEHRIQHSA-N 1 2 363.527 2.670 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1=O ZINC000500024192 515562392 /nfs/dbraw/zinc/56/23/92/515562392.db2.gz KTZREZUGXKXUHM-IUODEOHRSA-N 1 2 369.387 2.751 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1=O ZINC000500024192 515562401 /nfs/dbraw/zinc/56/24/01/515562401.db2.gz KTZREZUGXKXUHM-IUODEOHRSA-N 1 2 369.387 2.751 20 30 FFEDLO N#Cc1cccc(-c2cc(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)on2)c1 ZINC000468922899 515583753 /nfs/dbraw/zinc/58/37/53/515583753.db2.gz IGFZFEOQZHOGBB-QGZVFWFLSA-N 1 2 360.373 2.902 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000459527155 515621923 /nfs/dbraw/zinc/62/19/23/515621923.db2.gz YGUPVVVEWMKOTQ-PKOBYXMFSA-N 1 2 355.369 2.766 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000459527155 515621934 /nfs/dbraw/zinc/62/19/34/515621934.db2.gz YGUPVVVEWMKOTQ-PKOBYXMFSA-N 1 2 355.369 2.766 20 30 FFEDLO C[C@H](CNC(=O)c1ccc(C#N)s1)[NH+]1CCN(c2ccccc2)CC1 ZINC000486803275 515641257 /nfs/dbraw/zinc/64/12/57/515641257.db2.gz WGJBLWNQIYINGT-OAHLLOKOSA-N 1 2 354.479 2.560 20 30 FFEDLO Cc1cc(C(=O)N2CC[N@H+](Cc3ccccc3C(C)(C)C#N)[C@H](C)C2)n[nH]1 ZINC000459598496 515682519 /nfs/dbraw/zinc/68/25/19/515682519.db2.gz WSVIRQGCFYCKOG-MRXNPFEDSA-N 1 2 365.481 2.866 20 30 FFEDLO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3C(C)(C)C#N)[C@H](C)C2)n[nH]1 ZINC000459598496 515682528 /nfs/dbraw/zinc/68/25/28/515682528.db2.gz WSVIRQGCFYCKOG-MRXNPFEDSA-N 1 2 365.481 2.866 20 30 FFEDLO N#CC1(F)CC[NH+](CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000510886105 515702466 /nfs/dbraw/zinc/70/24/66/515702466.db2.gz BIJDQXZTOJSNOC-UHFFFAOYSA-N 1 2 358.244 2.980 20 30 FFEDLO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+]1CCC(F)(C#N)CC1 ZINC000510972179 515732596 /nfs/dbraw/zinc/73/25/96/515732596.db2.gz XJERQSDABLVXBS-ZDUSSCGKSA-N 1 2 360.458 2.971 20 30 FFEDLO CCc1nn(C)c(CC)c1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000506114913 515784426 /nfs/dbraw/zinc/78/44/26/515784426.db2.gz VDCUMXHVYLMFLA-UHFFFAOYSA-N 1 2 351.498 2.734 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)NCC(C)(C)CCC#N)c[nH+]2)C[C@H](C)O1 ZINC000478357612 515793107 /nfs/dbraw/zinc/79/31/07/515793107.db2.gz QKEOVSGAIIBOII-IYBDPMFKSA-N 1 2 373.501 2.824 20 30 FFEDLO C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccn(C)n1 ZINC000459772673 515796404 /nfs/dbraw/zinc/79/64/04/515796404.db2.gz BYPKRINRJQGJDS-GFCCVEGCSA-N 1 2 357.483 2.911 20 30 FFEDLO C[NH+](C)Cc1csc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)n1 ZINC000457314896 515801126 /nfs/dbraw/zinc/80/11/26/515801126.db2.gz NVGWKAGDXJROSK-ZDUSSCGKSA-N 1 2 373.457 2.680 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1c1ccccc1I ZINC000506472405 515891211 /nfs/dbraw/zinc/89/12/11/515891211.db2.gz UKWCHFZOEZMGDH-AWEZNQCLSA-N 1 2 370.234 2.730 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000506472405 515891219 /nfs/dbraw/zinc/89/12/19/515891219.db2.gz UKWCHFZOEZMGDH-AWEZNQCLSA-N 1 2 370.234 2.730 20 30 FFEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000459961629 515931188 /nfs/dbraw/zinc/93/11/88/515931188.db2.gz WZVDSOOIARWXHA-OAHLLOKOSA-N 1 2 363.889 2.580 20 30 FFEDLO CN(CC(=O)NCc1cccc(C#N)c1)Cc1[nH+]ccn1Cc1ccccc1 ZINC000464726476 515936124 /nfs/dbraw/zinc/93/61/24/515936124.db2.gz SPBZUYYGOKPWGE-UHFFFAOYSA-N 1 2 373.460 2.551 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000487744971 515963030 /nfs/dbraw/zinc/96/30/30/515963030.db2.gz VMMPNQHNTHXOSV-ROUUACIJSA-N 1 2 357.498 2.580 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000487744971 515963039 /nfs/dbraw/zinc/96/30/39/515963039.db2.gz VMMPNQHNTHXOSV-ROUUACIJSA-N 1 2 357.498 2.580 20 30 FFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1cc(C#N)ccc1OCCOC ZINC000455128066 515979068 /nfs/dbraw/zinc/97/90/68/515979068.db2.gz IVUBQCAHRCIRRA-ZDUSSCGKSA-N 1 2 357.414 2.683 20 30 FFEDLO Cc1ccc(OCC(=O)N2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)cc1 ZINC000487881240 516018202 /nfs/dbraw/zinc/01/82/02/516018202.db2.gz ZQBHVCFEWQCKDT-UHFFFAOYSA-N 1 2 363.461 2.898 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000474425741 516041238 /nfs/dbraw/zinc/04/12/38/516041238.db2.gz IWDWTVLQUWZHQU-INIZCTEOSA-N 1 2 351.797 2.860 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000511876395 516062854 /nfs/dbraw/zinc/06/28/54/516062854.db2.gz YBPYCMQBPYMXQT-UHFFFAOYSA-N 1 2 364.340 2.749 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)ncc1C#N ZINC000457694838 516074552 /nfs/dbraw/zinc/07/45/52/516074552.db2.gz RYRXJEJCXHQPNT-SJLPKXTDSA-N 1 2 356.376 2.715 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)ncc1C#N ZINC000457694838 516074562 /nfs/dbraw/zinc/07/45/62/516074562.db2.gz RYRXJEJCXHQPNT-SJLPKXTDSA-N 1 2 356.376 2.715 20 30 FFEDLO CCN(C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000507197589 516121609 /nfs/dbraw/zinc/12/16/09/516121609.db2.gz RDBBCJFXISAXAQ-UHFFFAOYSA-N 1 2 366.440 2.872 20 30 FFEDLO N#Cc1ccc(OCC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000474644182 516136931 /nfs/dbraw/zinc/13/69/31/516136931.db2.gz ALUOFYAIZYZZHL-UHFFFAOYSA-N 1 2 369.852 2.765 20 30 FFEDLO N#Cc1ccc(OCC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000474644182 516136940 /nfs/dbraw/zinc/13/69/40/516136940.db2.gz ALUOFYAIZYZZHL-UHFFFAOYSA-N 1 2 369.852 2.765 20 30 FFEDLO Cc1cc(C[NH+]2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)ccc1C#N ZINC000488177595 516145897 /nfs/dbraw/zinc/14/58/97/516145897.db2.gz DAVRHUAJEVUCKS-DYESRHJHSA-N 1 2 368.525 2.679 20 30 FFEDLO COc1cc(CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)ccc1C#N ZINC000460597886 516198850 /nfs/dbraw/zinc/19/88/50/516198850.db2.gz KGSHRGBDQFYCRO-CQSZACIVSA-N 1 2 352.438 2.835 20 30 FFEDLO COc1cc(CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)ccc1C#N ZINC000460597886 516198857 /nfs/dbraw/zinc/19/88/57/516198857.db2.gz KGSHRGBDQFYCRO-CQSZACIVSA-N 1 2 352.438 2.835 20 30 FFEDLO CC1(C)C[N@H+](CCNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCO1 ZINC000465812567 516264121 /nfs/dbraw/zinc/26/41/21/516264121.db2.gz VOISHVXHYNITPL-RTBURBONSA-N 1 2 370.497 2.579 20 30 FFEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCO1 ZINC000465812567 516264126 /nfs/dbraw/zinc/26/41/26/516264126.db2.gz VOISHVXHYNITPL-RTBURBONSA-N 1 2 370.497 2.579 20 30 FFEDLO CC(C)(C#N)CNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000496644793 516273406 /nfs/dbraw/zinc/27/34/06/516273406.db2.gz AAUIQSDQMQENCU-CYBMUJFWSA-N 1 2 350.413 2.778 20 30 FFEDLO CC(C)(C#N)CNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000496644793 516273411 /nfs/dbraw/zinc/27/34/11/516273411.db2.gz AAUIQSDQMQENCU-CYBMUJFWSA-N 1 2 350.413 2.778 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000507671386 516279960 /nfs/dbraw/zinc/27/99/60/516279960.db2.gz DTJMIHYSLPRKRE-RTBURBONSA-N 1 2 371.525 2.963 20 30 FFEDLO C=CCOc1cccc(NC(=O)N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000547683327 516486157 /nfs/dbraw/zinc/48/61/57/516486157.db2.gz BQACYKRICBHAFD-KRWDZBQOSA-N 1 2 355.442 2.885 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)c(F)c3)C2)nc1 ZINC000528509204 516489905 /nfs/dbraw/zinc/48/99/05/516489905.db2.gz XUXLOBDESASVAL-AWEZNQCLSA-N 1 2 374.803 2.838 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)c(F)c3)C2)nc1 ZINC000528509204 516489911 /nfs/dbraw/zinc/48/99/11/516489911.db2.gz XUXLOBDESASVAL-AWEZNQCLSA-N 1 2 374.803 2.838 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)n1cnc(C#N)n1 ZINC000524092220 516642374 /nfs/dbraw/zinc/64/23/74/516642374.db2.gz FUHARYDKJOYEDK-CYBMUJFWSA-N 1 2 361.409 2.549 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(CC(F)(F)F)CC2)c1 ZINC000551709503 516832918 /nfs/dbraw/zinc/83/29/18/516832918.db2.gz MSXPHAHDCQHESO-UHFFFAOYSA-N 1 2 360.401 2.996 20 30 FFEDLO COc1nc2ccccc2cc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000536630950 516861724 /nfs/dbraw/zinc/86/17/24/516861724.db2.gz IAIXJGCATSDWQW-UHFFFAOYSA-N 1 2 359.433 2.832 20 30 FFEDLO C=CCn1c(C2CCCC2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000558673829 516877628 /nfs/dbraw/zinc/87/76/28/516877628.db2.gz RTTVEXDOXDDJKL-UHFFFAOYSA-N 1 2 352.486 2.839 20 30 FFEDLO CCc1ccccc1O[C@H](C)C(=O)N1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000555364834 516901610 /nfs/dbraw/zinc/90/16/10/516901610.db2.gz YONCULFACCNUPW-ZHALLVOQSA-N 1 2 355.482 2.853 20 30 FFEDLO N#Cc1ccc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000562202439 516955825 /nfs/dbraw/zinc/95/58/25/516955825.db2.gz YSVFHRZKVLTLPW-CQSZACIVSA-N 1 2 358.385 2.729 20 30 FFEDLO N#Cc1ccc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000562202439 516955827 /nfs/dbraw/zinc/95/58/27/516955827.db2.gz YSVFHRZKVLTLPW-CQSZACIVSA-N 1 2 358.385 2.729 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1ccc(Oc2ccccc2)cc1 ZINC000558903111 516994838 /nfs/dbraw/zinc/99/48/38/516994838.db2.gz XCRGWNDNQVRNGU-FQEVSTJZSA-N 1 2 353.422 2.818 20 30 FFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000514725989 517025678 /nfs/dbraw/zinc/02/56/78/517025678.db2.gz VWZFHEMWKBCYSW-DHRZBBNESA-N 1 2 365.543 2.514 20 30 FFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000514725989 517025686 /nfs/dbraw/zinc/02/56/86/517025686.db2.gz VWZFHEMWKBCYSW-DHRZBBNESA-N 1 2 365.543 2.514 20 30 FFEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2c2ccc(Br)cn2)C1=O ZINC000514802223 517065405 /nfs/dbraw/zinc/06/54/05/517065405.db2.gz UKXFURMZFKQDDL-GJZGRUSLSA-N 1 2 350.260 2.768 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2ccc(Br)cn2)C1=O ZINC000514802223 517065412 /nfs/dbraw/zinc/06/54/12/517065412.db2.gz UKXFURMZFKQDDL-GJZGRUSLSA-N 1 2 350.260 2.768 20 30 FFEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000514972945 517148664 /nfs/dbraw/zinc/14/86/64/517148664.db2.gz RDHCZVCJZFTOLS-HNNXBMFYSA-N 1 2 365.474 2.528 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000555854480 517156766 /nfs/dbraw/zinc/15/67/66/517156766.db2.gz ZPAMRWMZIANYBL-INIZCTEOSA-N 1 2 358.486 2.549 20 30 FFEDLO C[N@H+](Cc1cccc(OCCCC#N)c1)Cc1ccccc1S(N)(=O)=O ZINC000552311941 517191200 /nfs/dbraw/zinc/19/12/00/517191200.db2.gz JHJJJEFRLNZMRK-UHFFFAOYSA-N 1 2 373.478 2.649 20 30 FFEDLO C[N@@H+](Cc1cccc(OCCCC#N)c1)Cc1ccccc1S(N)(=O)=O ZINC000552311941 517191204 /nfs/dbraw/zinc/19/12/04/517191204.db2.gz JHJJJEFRLNZMRK-UHFFFAOYSA-N 1 2 373.478 2.649 20 30 FFEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000532929603 517206047 /nfs/dbraw/zinc/20/60/47/517206047.db2.gz SCTOXKCNOWGYNJ-UHFFFAOYSA-N 1 2 368.462 2.791 20 30 FFEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000532929603 517206057 /nfs/dbraw/zinc/20/60/57/517206057.db2.gz SCTOXKCNOWGYNJ-UHFFFAOYSA-N 1 2 368.462 2.791 20 30 FFEDLO COCC[N@H+](CCOc1ccc(F)cc1)CC(=O)Nc1ccc(C#N)cc1 ZINC000532960525 517224724 /nfs/dbraw/zinc/22/47/24/517224724.db2.gz PWANMKFYRKPUKU-UHFFFAOYSA-N 1 2 371.412 2.663 20 30 FFEDLO COCC[N@@H+](CCOc1ccc(F)cc1)CC(=O)Nc1ccc(C#N)cc1 ZINC000532960525 517224732 /nfs/dbraw/zinc/22/47/32/517224732.db2.gz PWANMKFYRKPUKU-UHFFFAOYSA-N 1 2 371.412 2.663 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000529667589 517271702 /nfs/dbraw/zinc/27/17/02/517271702.db2.gz ZMPUQYDVDPWEDF-LJQANCHMSA-N 1 2 354.454 2.701 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000529667589 517271727 /nfs/dbraw/zinc/27/17/27/517271727.db2.gz ZMPUQYDVDPWEDF-LJQANCHMSA-N 1 2 354.454 2.701 20 30 FFEDLO COCc1ccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C#N ZINC000529816813 517361395 /nfs/dbraw/zinc/36/13/95/517361395.db2.gz SHMOCXCIOKMPJQ-CLCXKQKWSA-N 1 2 359.470 2.777 20 30 FFEDLO Cc1cc(NCCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)nc(C(C)C)[nH+]1 ZINC000529845969 517397623 /nfs/dbraw/zinc/39/76/23/517397623.db2.gz OPJAHYCFJGESHV-ZWKOTPCHSA-N 1 2 363.465 2.534 20 30 FFEDLO N#Cc1ccccc1OCC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542165682 517414985 /nfs/dbraw/zinc/41/49/85/517414985.db2.gz JNISCQHCWZVUJL-UHFFFAOYSA-N 1 2 352.438 2.853 20 30 FFEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2nccc(C#N)c2Cl)cc1 ZINC000552908187 517439136 /nfs/dbraw/zinc/43/91/36/517439136.db2.gz MGCAEOGCTWUAGY-KRWDZBQOSA-N 1 2 356.857 2.822 20 30 FFEDLO Cc1cc(-c2noc([C@H](C)[NH2+][C@H](C)C(=O)NC3(C#N)CCC3)n2)ccc1F ZINC000527049493 517472129 /nfs/dbraw/zinc/47/21/29/517472129.db2.gz QSGDATOBBOEIAN-OLZOCXBDSA-N 1 2 371.416 2.786 20 30 FFEDLO C=CC[N@H+](CC(=O)N[C@H](C(=O)OC)C(C)C)Cc1ccc(Cl)s1 ZINC000562906194 517491894 /nfs/dbraw/zinc/49/18/94/517491894.db2.gz RARUGRPXNBKFTB-HNNXBMFYSA-N 1 2 358.891 2.703 20 30 FFEDLO C=CC[N@@H+](CC(=O)N[C@H](C(=O)OC)C(C)C)Cc1ccc(Cl)s1 ZINC000562906194 517491885 /nfs/dbraw/zinc/49/18/85/517491885.db2.gz RARUGRPXNBKFTB-HNNXBMFYSA-N 1 2 358.891 2.703 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000553083790 517513257 /nfs/dbraw/zinc/51/32/57/517513257.db2.gz WTASKZJIHUTYOD-UHFFFAOYSA-N 1 2 353.422 2.875 20 30 FFEDLO COc1cc2c(cc1C[NH+]1CCN(c3cccc(C#N)n3)CC1)O[C@@H](C)C2 ZINC000546258717 517617660 /nfs/dbraw/zinc/61/76/60/517617660.db2.gz FJMFLWGOGYFNGA-HNNXBMFYSA-N 1 2 364.449 2.607 20 30 FFEDLO COc1ccc(OC(F)F)c(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000546259550 517617907 /nfs/dbraw/zinc/61/79/07/517617907.db2.gz WQBCGHHNLJCYQG-UHFFFAOYSA-N 1 2 374.391 2.885 20 30 FFEDLO N#Cc1cccc(C2([NH2+]Cc3ccc(S(=O)(=O)N4CCCC4)o3)CC2)c1 ZINC000560172643 517621491 /nfs/dbraw/zinc/62/14/91/517621491.db2.gz AQDUEHFPKVIHOH-UHFFFAOYSA-N 1 2 371.462 2.715 20 30 FFEDLO CCN(C(=O)[C@H](C)[NH+]1CCN(c2cnccc2C#N)CC1)c1ccccc1 ZINC000516232731 517628559 /nfs/dbraw/zinc/62/85/59/517628559.db2.gz YKYFOGWFKARBHD-KRWDZBQOSA-N 1 2 363.465 2.517 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000516253933 517637500 /nfs/dbraw/zinc/63/75/00/517637500.db2.gz DYGJIDVIKJEQKY-DBVUQKKJSA-N 1 2 373.497 2.817 20 30 FFEDLO C=CCNC(=O)CNC(=O)Nc1cccc(-c2[nH+]ccn2CCCC)c1 ZINC000538618075 517692193 /nfs/dbraw/zinc/69/21/93/517692193.db2.gz PRYMZGYCMLAGGO-UHFFFAOYSA-N 1 2 355.442 2.774 20 30 FFEDLO CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000563220567 517749350 /nfs/dbraw/zinc/74/93/50/517749350.db2.gz RBCXGEQHHPCZFA-SFHVURJKSA-N 1 2 364.877 2.898 20 30 FFEDLO CC#CC[N@H+](C)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000550127784 517876266 /nfs/dbraw/zinc/87/62/66/517876266.db2.gz KRKKSZKBCABVHB-FQEVSTJZSA-N 1 2 350.418 2.728 20 30 FFEDLO CC#CC[N@@H+](C)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000550127784 517876274 /nfs/dbraw/zinc/87/62/74/517876274.db2.gz KRKKSZKBCABVHB-FQEVSTJZSA-N 1 2 350.418 2.728 20 30 FFEDLO Cc1cc(Br)cn2cc(CNC(=O)c3cc(C#N)c[nH]3)[nH+]c12 ZINC000546824443 517876821 /nfs/dbraw/zinc/87/68/21/517876821.db2.gz XIKZBGQTCMQXJR-UHFFFAOYSA-N 1 2 358.199 2.535 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cc4c(cc3Cl)OCCO4)CC2)nc1 ZINC000516890470 517895475 /nfs/dbraw/zinc/89/54/75/517895475.db2.gz BUFOXASKGDTWTQ-UHFFFAOYSA-N 1 2 370.840 2.700 20 30 FFEDLO Cc1n[nH]c([C@@H]2CC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)n1 ZINC000516913254 517911154 /nfs/dbraw/zinc/91/11/54/517911154.db2.gz SSTSPDHOPQALMI-CQSZACIVSA-N 1 2 350.344 2.853 20 30 FFEDLO Cc1n[nH]c([C@@H]2CC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)n1 ZINC000516913254 517911161 /nfs/dbraw/zinc/91/11/61/517911161.db2.gz SSTSPDHOPQALMI-CQSZACIVSA-N 1 2 350.344 2.853 20 30 FFEDLO Cc1nc([C@@H]2CC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)n[nH]1 ZINC000516913254 517911170 /nfs/dbraw/zinc/91/11/70/517911170.db2.gz SSTSPDHOPQALMI-CQSZACIVSA-N 1 2 350.344 2.853 20 30 FFEDLO Cc1nc([C@@H]2CC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)n[nH]1 ZINC000516913254 517911183 /nfs/dbraw/zinc/91/11/83/517911183.db2.gz SSTSPDHOPQALMI-CQSZACIVSA-N 1 2 350.344 2.853 20 30 FFEDLO C=CCn1c(SCc2cc(OC)cc(C)[nH+]2)nnc1-c1cnccn1 ZINC000534499389 517915232 /nfs/dbraw/zinc/91/52/32/517915232.db2.gz TXJGNPKOVWRCNV-UHFFFAOYSA-N 1 2 354.439 2.925 20 30 FFEDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000539308950 517986768 /nfs/dbraw/zinc/98/67/68/517986768.db2.gz MQUUVFAWTMMDPV-UHFFFAOYSA-N 1 2 367.331 2.897 20 30 FFEDLO COc1nc(C)cc(C)c1C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000563632136 518036174 /nfs/dbraw/zinc/03/61/74/518036174.db2.gz QWWCWZFJDXZYLW-UHFFFAOYSA-N 1 2 357.483 2.666 20 30 FFEDLO C[NH+](C)[C@@H](CNC(=O)COc1ccc(C#N)cc1)c1c(F)cccc1F ZINC000522384897 518091884 /nfs/dbraw/zinc/09/18/84/518091884.db2.gz ZHBOHNQJNCAYNT-KRWDZBQOSA-N 1 2 359.376 2.634 20 30 FFEDLO C[C@@H](C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000522733777 518156696 /nfs/dbraw/zinc/15/66/96/518156696.db2.gz OAPKYGHYUAPBCI-WWMYMODYSA-N 1 2 372.488 2.925 20 30 FFEDLO Cc1oc(NC(=O)CN2CC[NH+](Cc3ccsc3)CC2)c(C#N)c1C ZINC000535263489 518171616 /nfs/dbraw/zinc/17/16/16/518171616.db2.gz AKSKQOUVIMUYQA-UHFFFAOYSA-N 1 2 358.467 2.586 20 30 FFEDLO CCc1oc(C(=O)OC)cc1C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000566943434 518275986 /nfs/dbraw/zinc/27/59/86/518275986.db2.gz QZBYCYYNJQIAHU-UHFFFAOYSA-N 1 2 374.466 2.587 20 30 FFEDLO CCc1nn(C)c(CC)c1C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000569774341 518280256 /nfs/dbraw/zinc/28/02/56/518280256.db2.gz DISAXKWTFWWKBD-UHFFFAOYSA-N 1 2 358.515 2.504 20 30 FFEDLO N#Cc1csc(C[NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)n1 ZINC000578663215 518316529 /nfs/dbraw/zinc/31/65/29/518316529.db2.gz QKSBOFNHRYGMFS-VIFPVBQESA-N 1 2 350.806 2.702 20 30 FFEDLO C[C@H](CC(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)n1cc[nH+]c1 ZINC000567054203 518330477 /nfs/dbraw/zinc/33/04/77/518330477.db2.gz CLQYBAKDOWVKLC-CRAIPNDOSA-N 1 2 371.872 2.897 20 30 FFEDLO CCc1ccc([C@@H](C#N)NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000564218261 518355871 /nfs/dbraw/zinc/35/58/71/518355871.db2.gz CWEABENFKDMLBF-NHCUHLMSSA-N 1 2 363.461 2.831 20 30 FFEDLO CCc1ccc([C@@H](C#N)NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000564218261 518355878 /nfs/dbraw/zinc/35/58/78/518355878.db2.gz CWEABENFKDMLBF-NHCUHLMSSA-N 1 2 363.461 2.831 20 30 FFEDLO N#CC1(CNC(=O)NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)CC1 ZINC000567174112 518390235 /nfs/dbraw/zinc/39/02/35/518390235.db2.gz YATQEWHRCDJASK-UHFFFAOYSA-N 1 2 361.449 2.747 20 30 FFEDLO CC(C)(CC#N)CS(=O)(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000570040038 518412711 /nfs/dbraw/zinc/41/27/11/518412711.db2.gz JWAGRLCHXJCBTA-OAHLLOKOSA-N 1 2 364.515 2.668 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC000573114794 518514852 /nfs/dbraw/zinc/51/48/52/518514852.db2.gz QAORDCQWDLRPIQ-HXUWFJFHSA-N 1 2 371.481 2.833 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC000573114794 518514861 /nfs/dbraw/zinc/51/48/61/518514861.db2.gz QAORDCQWDLRPIQ-HXUWFJFHSA-N 1 2 371.481 2.833 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000567483590 518548136 /nfs/dbraw/zinc/54/81/36/518548136.db2.gz JKPQNXWHKZUORJ-OAHLLOKOSA-N 1 2 351.441 2.900 20 30 FFEDLO COC(=O)c1cccc2c1CC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C2 ZINC000570335405 518556114 /nfs/dbraw/zinc/55/61/14/518556114.db2.gz CILDTYYQOVQENM-UHFFFAOYSA-N 1 2 351.362 2.811 20 30 FFEDLO COC(=O)c1cccc2c1CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C2 ZINC000570335405 518556120 /nfs/dbraw/zinc/55/61/20/518556120.db2.gz CILDTYYQOVQENM-UHFFFAOYSA-N 1 2 351.362 2.811 20 30 FFEDLO COc1cc(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000573263045 518582121 /nfs/dbraw/zinc/58/21/21/518582121.db2.gz NZFGQYMVKMTFAJ-YOEHRIQHSA-N 1 2 353.426 2.556 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000576473852 518609988 /nfs/dbraw/zinc/60/99/88/518609988.db2.gz HOOYAOKCTUFDPK-MSOLQXFVSA-N 1 2 363.889 2.731 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000576473852 518609996 /nfs/dbraw/zinc/60/99/96/518609996.db2.gz HOOYAOKCTUFDPK-MSOLQXFVSA-N 1 2 363.889 2.731 20 30 FFEDLO Cc1cccc(C2=CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cn3)CC2)c1 ZINC000582293535 518683185 /nfs/dbraw/zinc/68/31/85/518683185.db2.gz JXPCHJDLEDOECQ-UHFFFAOYSA-N 1 2 367.474 2.825 20 30 FFEDLO Cc1cccc(C2=CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cn3)CC2)c1 ZINC000582293535 518683189 /nfs/dbraw/zinc/68/31/89/518683189.db2.gz JXPCHJDLEDOECQ-UHFFFAOYSA-N 1 2 367.474 2.825 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cnccc2C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000582553160 518810369 /nfs/dbraw/zinc/81/03/69/518810369.db2.gz MATXRRDMKZKPTA-AEFFLSMTSA-N 1 2 374.366 2.936 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cnccc2C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000582553160 518810376 /nfs/dbraw/zinc/81/03/76/518810376.db2.gz MATXRRDMKZKPTA-AEFFLSMTSA-N 1 2 374.366 2.936 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](Cc3cn(CC4CC4)nn3)CC2)c(F)c1 ZINC000576912208 518822192 /nfs/dbraw/zinc/82/21/92/518822192.db2.gz BZKMWSBZZBESPL-UHFFFAOYSA-N 1 2 355.417 2.742 20 30 FFEDLO Cc1ccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000588954706 518879422 /nfs/dbraw/zinc/87/94/22/518879422.db2.gz FFRKYMNTAUJBNJ-SFHVURJKSA-N 1 2 355.463 2.873 20 30 FFEDLO Cc1ccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000588954706 518879431 /nfs/dbraw/zinc/87/94/31/518879431.db2.gz FFRKYMNTAUJBNJ-SFHVURJKSA-N 1 2 355.463 2.873 20 30 FFEDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(F)cc1 ZINC000588956667 518879769 /nfs/dbraw/zinc/87/97/69/518879769.db2.gz LXYPXAXFUZUJNA-UHFFFAOYSA-N 1 2 361.442 2.777 20 30 FFEDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(F)cc1 ZINC000588956667 518879775 /nfs/dbraw/zinc/87/97/75/518879775.db2.gz LXYPXAXFUZUJNA-UHFFFAOYSA-N 1 2 361.442 2.777 20 30 FFEDLO N#Cc1cccc(CCNC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000573945304 518912302 /nfs/dbraw/zinc/91/23/02/518912302.db2.gz MXKZOSAKMIVUBP-UHFFFAOYSA-N 1 2 363.465 2.985 20 30 FFEDLO N#Cc1c(C(F)F)cccc1N1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000577388385 519057177 /nfs/dbraw/zinc/05/71/77/519057177.db2.gz HTVIBYXJYBDKAN-SFHVURJKSA-N 1 2 370.403 2.844 20 30 FFEDLO N#Cc1csc(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c1 ZINC000577437366 519077943 /nfs/dbraw/zinc/07/79/43/519077943.db2.gz RIFNTQGBIFOORH-INIZCTEOSA-N 1 2 357.504 2.967 20 30 FFEDLO N#Cc1csc(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c1 ZINC000577437366 519077945 /nfs/dbraw/zinc/07/79/45/519077945.db2.gz RIFNTQGBIFOORH-INIZCTEOSA-N 1 2 357.504 2.967 20 30 FFEDLO Cc1ccnc([C@@H]2CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)c1 ZINC000571414319 519085310 /nfs/dbraw/zinc/08/53/10/519085310.db2.gz LMFGVUBFBQHSKV-QGZVFWFLSA-N 1 2 355.463 2.525 20 30 FFEDLO Cc1ccnc([C@@H]2CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)c1 ZINC000571414319 519085316 /nfs/dbraw/zinc/08/53/16/519085316.db2.gz LMFGVUBFBQHSKV-QGZVFWFLSA-N 1 2 355.463 2.525 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000568582001 519109947 /nfs/dbraw/zinc/10/99/47/519109947.db2.gz NSBGGLJPDRXWEN-WMLDXEAASA-N 1 2 368.412 2.963 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000568582001 519109954 /nfs/dbraw/zinc/10/99/54/519109954.db2.gz NSBGGLJPDRXWEN-WMLDXEAASA-N 1 2 368.412 2.963 20 30 FFEDLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000571499977 519124849 /nfs/dbraw/zinc/12/48/49/519124849.db2.gz HZSQPDVMYWWESR-KRWDZBQOSA-N 1 2 350.422 2.662 20 30 FFEDLO Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000571499977 519124858 /nfs/dbraw/zinc/12/48/58/519124858.db2.gz HZSQPDVMYWWESR-KRWDZBQOSA-N 1 2 350.422 2.662 20 30 FFEDLO CCc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000577569732 519143316 /nfs/dbraw/zinc/14/33/16/519143316.db2.gz GARHKWZMHXKOJS-SFHVURJKSA-N 1 2 350.422 2.607 20 30 FFEDLO CCc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000577569732 519143317 /nfs/dbraw/zinc/14/33/17/519143317.db2.gz GARHKWZMHXKOJS-SFHVURJKSA-N 1 2 350.422 2.607 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000565819439 519148081 /nfs/dbraw/zinc/14/80/81/519148081.db2.gz LILZUNXWOYIZOP-MSOLQXFVSA-N 1 2 354.454 2.806 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Br)c(Cl)c1F ZINC000574457820 519164541 /nfs/dbraw/zinc/16/45/41/519164541.db2.gz VAOTVADPUKUJBT-CYBMUJFWSA-N 1 2 362.630 2.815 20 30 FFEDLO CCOC(=O)c1sc2[nH]c([C@H](C)[NH2+][C@H](CC)CC#N)nc(=O)c2c1C ZINC000577646582 519185271 /nfs/dbraw/zinc/18/52/71/519185271.db2.gz PEWQNPFWTCCHEN-WDEREUQCSA-N 1 2 362.455 2.813 20 30 FFEDLO Cc1cccc([C@@H](CNc2nc(C#N)c(Cl)s2)[NH+]2CCOCC2)c1 ZINC000590572624 519269794 /nfs/dbraw/zinc/26/97/94/519269794.db2.gz POMDOWNJWMGWKM-OAHLLOKOSA-N 1 2 362.886 2.884 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC4(C3)Oc3ccccc3O4)o2)c1 ZINC000580626350 519271503 /nfs/dbraw/zinc/27/15/03/519271503.db2.gz RTNWUCFISXYFAX-UHFFFAOYSA-N 1 2 360.373 2.982 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC4(C3)Oc3ccccc3O4)o2)c1 ZINC000580626350 519271512 /nfs/dbraw/zinc/27/15/12/519271512.db2.gz RTNWUCFISXYFAX-UHFFFAOYSA-N 1 2 360.373 2.982 20 30 FFEDLO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000568915890 519280934 /nfs/dbraw/zinc/28/09/34/519280934.db2.gz FOHZBBXEFCNFFD-KRWDZBQOSA-N 1 2 373.497 2.937 20 30 FFEDLO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000568915890 519280939 /nfs/dbraw/zinc/28/09/39/519280939.db2.gz FOHZBBXEFCNFFD-KRWDZBQOSA-N 1 2 373.497 2.937 20 30 FFEDLO Cn1cc[nH+]c1[C@H](CC(=O)NCc1ccc(C#N)c(F)c1)C(F)(F)F ZINC000580844649 519389272 /nfs/dbraw/zinc/38/92/72/519389272.db2.gz QWKSBJVQQVELBU-LBPRGKRZSA-N 1 2 354.307 2.783 20 30 FFEDLO N#Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000591005628 519473731 /nfs/dbraw/zinc/47/37/31/519473731.db2.gz PITAPKBRBJDMCO-NRFANRHFSA-N 1 2 361.445 2.738 20 30 FFEDLO N#Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000591005628 519473740 /nfs/dbraw/zinc/47/37/40/519473740.db2.gz PITAPKBRBJDMCO-NRFANRHFSA-N 1 2 361.445 2.738 20 30 FFEDLO N#Cc1cc(F)cc(C2(C(=O)NCC3CC[NH+](CC(F)F)CC3)CC2)c1 ZINC000581020973 519482799 /nfs/dbraw/zinc/48/27/99/519482799.db2.gz LYAUHPPHGUNBIS-UHFFFAOYSA-N 1 2 365.399 2.822 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000591051414 519491513 /nfs/dbraw/zinc/49/15/13/519491513.db2.gz WIIYPLDOWRCLSS-PMACEKPBSA-N 1 2 353.466 2.649 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000591051414 519491518 /nfs/dbraw/zinc/49/15/18/519491518.db2.gz WIIYPLDOWRCLSS-PMACEKPBSA-N 1 2 353.466 2.649 20 30 FFEDLO N#Cc1cc(NC(=O)N2CCn3c[nH+]cc3C2)ccc1OCC(F)(F)F ZINC000578372739 519559680 /nfs/dbraw/zinc/55/96/80/519559680.db2.gz BTLATVALWAOEDZ-UHFFFAOYSA-N 1 2 365.315 2.744 20 30 FFEDLO Cc1noc([C@H]2CCC[N@@H+]2[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000566577622 519560341 /nfs/dbraw/zinc/56/03/41/519560341.db2.gz PHBNNOPIBGGXSI-IAGOWNOFSA-N 1 2 351.410 2.582 20 30 FFEDLO Cc1noc([C@H]2CCC[N@H+]2[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000566577622 519560346 /nfs/dbraw/zinc/56/03/46/519560346.db2.gz PHBNNOPIBGGXSI-IAGOWNOFSA-N 1 2 351.410 2.582 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(C#N)n3)CC2)cc1 ZINC000584171054 519622647 /nfs/dbraw/zinc/62/26/47/519622647.db2.gz AGSAJRYULVMICF-UHFFFAOYSA-N 1 2 365.437 2.702 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602857901 519931355 /nfs/dbraw/zinc/93/13/55/519931355.db2.gz WRKLQNULFVFONM-MGPQQGTHSA-N 1 2 368.403 2.951 20 30 FFEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000602865360 519935987 /nfs/dbraw/zinc/93/59/87/519935987.db2.gz XOODKAMFVPVHDQ-UWVGGRQHSA-N 1 2 357.195 2.510 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)C[C@H](C)N1CC#N ZINC000602864945 519936129 /nfs/dbraw/zinc/93/61/29/519936129.db2.gz RDSHPXHIQLTDDT-RVKKMQEKSA-N 1 2 362.543 2.870 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)C[C@H](C)N1CC#N ZINC000602864945 519936132 /nfs/dbraw/zinc/93/61/32/519936132.db2.gz RDSHPXHIQLTDDT-RVKKMQEKSA-N 1 2 362.543 2.870 20 30 FFEDLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602867400 519937169 /nfs/dbraw/zinc/93/71/69/519937169.db2.gz YGLKPJFOWRQNAT-MJBXVCDLSA-N 1 2 357.483 2.541 20 30 FFEDLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602867400 519937174 /nfs/dbraw/zinc/93/71/74/519937174.db2.gz YGLKPJFOWRQNAT-MJBXVCDLSA-N 1 2 357.483 2.541 20 30 FFEDLO CCOC(=O)c1c(C)onc1C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602906967 519964538 /nfs/dbraw/zinc/96/45/38/519964538.db2.gz JKJCKFCXNVSFAM-UHFFFAOYSA-N 1 2 354.410 2.806 20 30 FFEDLO Cn1cc(Br)c(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)n1 ZINC000602908866 519966273 /nfs/dbraw/zinc/96/62/73/519966273.db2.gz VPJVMYLCMVTFPR-UHFFFAOYSA-N 1 2 360.259 2.829 20 30 FFEDLO C[N@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602974768 520000298 /nfs/dbraw/zinc/00/02/98/520000298.db2.gz TXDWYOBSLACTKT-GDBMZVCRSA-N 1 2 351.397 2.571 20 30 FFEDLO C[N@@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602974768 520000305 /nfs/dbraw/zinc/00/03/05/520000305.db2.gz TXDWYOBSLACTKT-GDBMZVCRSA-N 1 2 351.397 2.571 20 30 FFEDLO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602974348 520000448 /nfs/dbraw/zinc/00/04/48/520000448.db2.gz MWLUNHZSTMFYGU-HOCLYGCPSA-N 1 2 351.397 2.870 20 30 FFEDLO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602974348 520000451 /nfs/dbraw/zinc/00/04/51/520000451.db2.gz MWLUNHZSTMFYGU-HOCLYGCPSA-N 1 2 351.397 2.870 20 30 FFEDLO C[N@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602980501 520005963 /nfs/dbraw/zinc/00/59/63/520005963.db2.gz QSUTUKBMQOUYME-AZUAARDMSA-N 1 2 355.482 2.818 20 30 FFEDLO C[N@@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602980501 520005971 /nfs/dbraw/zinc/00/59/71/520005971.db2.gz QSUTUKBMQOUYME-AZUAARDMSA-N 1 2 355.482 2.818 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc(F)cc(C#N)c3)CC2)cc1 ZINC000603080577 520068294 /nfs/dbraw/zinc/06/82/94/520068294.db2.gz IYBOKNUSTPTINK-UHFFFAOYSA-N 1 2 363.396 2.919 20 30 FFEDLO COc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@@H](CC#N)C3)C2=O)cc1Cl ZINC000594659820 520070916 /nfs/dbraw/zinc/07/09/16/520070916.db2.gz IFGLKHNLJHYTDY-SWLSCSKDSA-N 1 2 361.829 2.606 20 30 FFEDLO COc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@@H](CC#N)C3)C2=O)cc1Cl ZINC000594659820 520070919 /nfs/dbraw/zinc/07/09/19/520070919.db2.gz IFGLKHNLJHYTDY-SWLSCSKDSA-N 1 2 361.829 2.606 20 30 FFEDLO Cc1cccc(CC2C[NH+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)c1 ZINC000612676888 520084724 /nfs/dbraw/zinc/08/47/24/520084724.db2.gz PIAODABXWSGYGY-UHFFFAOYSA-N 1 2 354.475 2.815 20 30 FFEDLO N#Cc1cnccc1C[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000592072670 520166908 /nfs/dbraw/zinc/16/69/08/520166908.db2.gz DWAVAUQXGRBKLV-UHFFFAOYSA-N 1 2 352.413 2.621 20 30 FFEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000603301138 520205505 /nfs/dbraw/zinc/20/55/05/520205505.db2.gz AKZGNUDKIIIXDP-LJQANCHMSA-N 1 2 369.490 2.998 20 30 FFEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000603301138 520205516 /nfs/dbraw/zinc/20/55/16/520205516.db2.gz AKZGNUDKIIIXDP-LJQANCHMSA-N 1 2 369.490 2.998 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(Br)ccc2OC(F)F)C1 ZINC000592150973 520228785 /nfs/dbraw/zinc/22/87/85/520228785.db2.gz LGPXKCNLQBFLHH-AWEZNQCLSA-N 1 2 361.186 2.901 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(Br)ccc2OC(F)F)C1 ZINC000592150973 520228791 /nfs/dbraw/zinc/22/87/91/520228791.db2.gz LGPXKCNLQBFLHH-AWEZNQCLSA-N 1 2 361.186 2.901 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)N(C)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000603361843 520232257 /nfs/dbraw/zinc/23/22/57/520232257.db2.gz BQPIEIFEBYALNL-HNNXBMFYSA-N 1 2 369.490 2.928 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)N(C)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000603361843 520232267 /nfs/dbraw/zinc/23/22/67/520232267.db2.gz BQPIEIFEBYALNL-HNNXBMFYSA-N 1 2 369.490 2.928 20 30 FFEDLO CO[C@](C)(C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000609306543 520269604 /nfs/dbraw/zinc/26/96/04/520269604.db2.gz XLGWRXSAICQINU-QFIPXVFZSA-N 1 2 363.461 2.764 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2nnc3n2CCCCC3)c(C#N)c1C ZINC000613062639 520298156 /nfs/dbraw/zinc/29/81/56/520298156.db2.gz HVOJJWVZTADPII-OLZOCXBDSA-N 1 2 370.457 2.764 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000609484595 520328452 /nfs/dbraw/zinc/32/84/52/520328452.db2.gz CBXANQSMBCCFCZ-PXNSSMCTSA-N 1 2 354.498 2.520 20 30 FFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000609536543 520345754 /nfs/dbraw/zinc/34/57/54/520345754.db2.gz WHKNGJDDDGDJFI-UHFFFAOYSA-N 1 2 350.422 2.681 20 30 FFEDLO CC[C@H]1c2ccsc2CCN1C(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609539011 520350254 /nfs/dbraw/zinc/35/02/54/520350254.db2.gz PVVLBEGBIQUQSA-ROUUACIJSA-N 1 2 374.554 2.750 20 30 FFEDLO C[C@H]1CCC[C@H](OCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000609576737 520363707 /nfs/dbraw/zinc/36/37/07/520363707.db2.gz KLAAJLXOTZMLFV-PXNSSMCTSA-N 1 2 355.482 2.798 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)c(C#N)c1C ZINC000603834223 520371544 /nfs/dbraw/zinc/37/15/44/520371544.db2.gz MCRKWKPKNAHGKO-HNNXBMFYSA-N 1 2 353.426 2.685 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](c3ccnc(C)n3)C2)c(C#N)c1C ZINC000603834223 520371555 /nfs/dbraw/zinc/37/15/55/520371555.db2.gz MCRKWKPKNAHGKO-HNNXBMFYSA-N 1 2 353.426 2.685 20 30 FFEDLO CCOc1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc(Br)c1OC ZINC000592524427 520438691 /nfs/dbraw/zinc/43/86/91/520438691.db2.gz XNDUWKPNKAYTGL-INIZCTEOSA-N 1 2 369.259 2.707 20 30 FFEDLO CCOc1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc(Br)c1OC ZINC000592524427 520438698 /nfs/dbraw/zinc/43/86/98/520438698.db2.gz XNDUWKPNKAYTGL-INIZCTEOSA-N 1 2 369.259 2.707 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000592526362 520439823 /nfs/dbraw/zinc/43/98/23/520439823.db2.gz XYWTWBZHXNIYBX-AWEZNQCLSA-N 1 2 361.186 2.901 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000592526362 520439825 /nfs/dbraw/zinc/43/98/25/520439825.db2.gz XYWTWBZHXNIYBX-AWEZNQCLSA-N 1 2 361.186 2.901 20 30 FFEDLO CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000600829007 520491988 /nfs/dbraw/zinc/49/19/88/520491988.db2.gz FCIAJEIAHZNXGG-DNVCBOLYSA-N 1 2 360.477 2.701 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000600830415 520492164 /nfs/dbraw/zinc/49/21/64/520492164.db2.gz TXKFCVIDSCGGFM-YLJYHZDGSA-N 1 2 370.472 2.597 20 30 FFEDLO CCCCCNC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000600830152 520492303 /nfs/dbraw/zinc/49/23/03/520492303.db2.gz QRJBXNYJTZQTRB-LPHOPBHVSA-N 1 2 360.477 2.703 20 30 FFEDLO Cc1cccn2cc(CC(=O)NC3(c4cccc(C#N)c4)CCOCC3)[nH+]c12 ZINC000598248231 520517771 /nfs/dbraw/zinc/51/77/71/520517771.db2.gz KPXVUYJMTLLHPI-UHFFFAOYSA-N 1 2 374.444 2.879 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CNc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000604447185 520564920 /nfs/dbraw/zinc/56/49/20/520564920.db2.gz QIZQNPMWVSOQQW-IBGZPJMESA-N 1 2 363.396 2.749 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595615711 520594140 /nfs/dbraw/zinc/59/41/40/520594140.db2.gz RTMIXJLULBKZAT-SJORKVTESA-N 1 2 354.454 2.956 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595615711 520594151 /nfs/dbraw/zinc/59/41/51/520594151.db2.gz RTMIXJLULBKZAT-SJORKVTESA-N 1 2 354.454 2.956 20 30 FFEDLO C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1[nH+]ccn1C ZINC000598466361 520630352 /nfs/dbraw/zinc/63/03/52/520630352.db2.gz ZMNOQFOODMZNBV-CYBMUJFWSA-N 1 2 355.417 2.525 20 30 FFEDLO COc1ccc(C)cc1C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000610337659 520641166 /nfs/dbraw/zinc/64/11/66/520641166.db2.gz VAHIQMFTJLGGGL-UHFFFAOYSA-N 1 2 367.409 2.501 20 30 FFEDLO Cc1cccn2cc(CCNC(=O)CSc3ccc(C#N)cc3)[nH+]c12 ZINC000610434756 520682840 /nfs/dbraw/zinc/68/28/40/520682840.db2.gz KISBJDJHXPYMRQ-UHFFFAOYSA-N 1 2 350.447 2.965 20 30 FFEDLO COc1cncc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1 ZINC000595737012 520687330 /nfs/dbraw/zinc/68/73/30/520687330.db2.gz ZPGTYZJQGUSLLI-UHFFFAOYSA-N 1 2 374.448 2.674 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595747190 520694513 /nfs/dbraw/zinc/69/45/13/520694513.db2.gz HQMLCXUDMVOSDG-DLBZAZTESA-N 1 2 355.463 2.656 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595747190 520694521 /nfs/dbraw/zinc/69/45/21/520694521.db2.gz HQMLCXUDMVOSDG-DLBZAZTESA-N 1 2 355.463 2.656 20 30 FFEDLO COCCN(CCC#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000610540729 520732416 /nfs/dbraw/zinc/73/24/16/520732416.db2.gz AXVINABMUHGEGX-AWEZNQCLSA-N 1 2 365.503 2.769 20 30 FFEDLO COCCN(CCC#N)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000610540729 520732423 /nfs/dbraw/zinc/73/24/23/520732423.db2.gz AXVINABMUHGEGX-AWEZNQCLSA-N 1 2 365.503 2.769 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC3(CCc4ccccc4O3)CC2)cc1 ZINC000595829625 520753578 /nfs/dbraw/zinc/75/35/78/520753578.db2.gz XDHJDXKOXFLMEX-HXUWFJFHSA-N 1 2 361.445 2.944 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](C(F)F)C2CCCCC2)nc1 ZINC000598650793 520761930 /nfs/dbraw/zinc/76/19/30/520761930.db2.gz ZOGNESZAVSNNHJ-OAHLLOKOSA-N 1 2 357.426 2.531 20 30 FFEDLO C[C@H]1C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@]1(C)CO ZINC000595869420 520779239 /nfs/dbraw/zinc/77/92/39/520779239.db2.gz CXKQCUGYRWNMPU-ORAYPTAESA-N 1 2 361.511 2.777 20 30 FFEDLO C[C@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@]1(C)CO ZINC000595869420 520779244 /nfs/dbraw/zinc/77/92/44/520779244.db2.gz CXKQCUGYRWNMPU-ORAYPTAESA-N 1 2 361.511 2.777 20 30 FFEDLO N#Cc1cccc(CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000601568812 520845621 /nfs/dbraw/zinc/84/56/21/520845621.db2.gz VNKMYEYFCWOLEB-UHFFFAOYSA-N 1 2 367.478 2.506 20 30 FFEDLO N#C[C@H](CCc1ccccc1)C(=O)N1CCc2[nH]c[nH+]c2C12CCOCC2 ZINC000601651364 520885773 /nfs/dbraw/zinc/88/57/73/520885773.db2.gz FGVUXVONIJWTNT-KRWDZBQOSA-N 1 2 364.449 2.573 20 30 FFEDLO N#CC1(c2ccc(C(=O)N3CCc4[nH]c[nH+]c4C34CCOCC4)cc2)CC1 ZINC000601657057 520888383 /nfs/dbraw/zinc/88/83/83/520888383.db2.gz VTMSRPVSHUNDNI-UHFFFAOYSA-N 1 2 362.433 2.669 20 30 FFEDLO N#Cc1cnnc(Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c1 ZINC000596065422 520890795 /nfs/dbraw/zinc/89/07/95/520890795.db2.gz IGUCXFHWAJEQIT-UHFFFAOYSA-N 1 2 363.450 2.676 20 30 FFEDLO Cc1cc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)ccc1C#N ZINC000618175724 520918729 /nfs/dbraw/zinc/91/87/29/520918729.db2.gz AINUXECCSVIBSF-SFHVURJKSA-N 1 2 366.446 2.668 20 30 FFEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1)c1cccc2ccccc21 ZINC000611175175 521022984 /nfs/dbraw/zinc/02/29/84/521022984.db2.gz UZWHQXVJQKPTOK-QZTJIDSGSA-N 1 2 364.493 2.937 20 30 FFEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1)c1ccc2c(c1)CCCC2 ZINC000611174471 521023592 /nfs/dbraw/zinc/02/35/92/521023592.db2.gz FQEJRCDYQYOFMR-QZTJIDSGSA-N 1 2 368.525 2.662 20 30 FFEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000593537963 521061714 /nfs/dbraw/zinc/06/17/14/521061714.db2.gz JKEOQBFLEUWEHF-UHFFFAOYSA-N 1 2 358.467 2.710 20 30 FFEDLO N#Cc1sccc1S(=O)(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000593575726 521086261 /nfs/dbraw/zinc/08/62/61/521086261.db2.gz OAKBXHWKXTZZCB-UHFFFAOYSA-N 1 2 364.496 2.697 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCCC34CC4)CC2)cc1 ZINC000599240601 521104103 /nfs/dbraw/zinc/10/41/03/521104103.db2.gz BSALXRQJBUAWAC-LJQANCHMSA-N 1 2 352.482 2.966 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1C#N ZINC000611347558 521110422 /nfs/dbraw/zinc/11/04/22/521110422.db2.gz GQZXXCAPBPIPIW-MJGOQNOKSA-N 1 2 354.479 2.759 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1C#N ZINC000611347558 521110431 /nfs/dbraw/zinc/11/04/31/521110431.db2.gz GQZXXCAPBPIPIW-MJGOQNOKSA-N 1 2 354.479 2.759 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1C#N ZINC000611347557 521110940 /nfs/dbraw/zinc/11/09/40/521110940.db2.gz GQZXXCAPBPIPIW-IEBWSBKVSA-N 1 2 354.479 2.759 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1C#N ZINC000611347557 521110946 /nfs/dbraw/zinc/11/09/46/521110946.db2.gz GQZXXCAPBPIPIW-IEBWSBKVSA-N 1 2 354.479 2.759 20 30 FFEDLO CCC[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)Cc1ccccc1F ZINC000611371246 521123303 /nfs/dbraw/zinc/12/33/03/521123303.db2.gz OAAPFMJHRMQXSN-HXUWFJFHSA-N 1 2 374.504 2.730 20 30 FFEDLO CCC[N@@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)Cc1ccccc1F ZINC000611371246 521123306 /nfs/dbraw/zinc/12/33/06/521123306.db2.gz OAAPFMJHRMQXSN-HXUWFJFHSA-N 1 2 374.504 2.730 20 30 FFEDLO CN(C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602074273 521126999 /nfs/dbraw/zinc/12/69/99/521126999.db2.gz HWUWSVQXPGXEAP-KDOFPFPSSA-N 1 2 364.405 2.963 20 30 FFEDLO CCO[C@H](C)c1noc(CN2CC[NH+](Cc3ccc(C)c(C#N)c3)CC2)n1 ZINC000599300883 521135937 /nfs/dbraw/zinc/13/59/37/521135937.db2.gz YMXGGBNKPKDYHF-MRXNPFEDSA-N 1 2 369.469 2.665 20 30 FFEDLO Cc1cc([C@H]2C[N@H+](C[C@@H](O)CC3(C#N)CCOCC3)CCO2)ccc1F ZINC000599338657 521161519 /nfs/dbraw/zinc/16/15/19/521161519.db2.gz DPLRPQVHVLQMTB-PKOBYXMFSA-N 1 2 362.445 2.579 20 30 FFEDLO Cc1cc([C@H]2C[N@@H+](C[C@@H](O)CC3(C#N)CCOCC3)CCO2)ccc1F ZINC000599338657 521161526 /nfs/dbraw/zinc/16/15/26/521161526.db2.gz DPLRPQVHVLQMTB-PKOBYXMFSA-N 1 2 362.445 2.579 20 30 FFEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000614925117 521196636 /nfs/dbraw/zinc/19/66/36/521196636.db2.gz VIMFHKIBLFVABZ-KRWDZBQOSA-N 1 2 369.387 2.977 20 30 FFEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000614925117 521196648 /nfs/dbraw/zinc/19/66/48/521196648.db2.gz VIMFHKIBLFVABZ-KRWDZBQOSA-N 1 2 369.387 2.977 20 30 FFEDLO N#Cc1c(F)cc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1F ZINC000596679407 521212878 /nfs/dbraw/zinc/21/28/78/521212878.db2.gz KCTZMXQBGLSVLV-LJQANCHMSA-N 1 2 371.387 2.640 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000599424337 521213646 /nfs/dbraw/zinc/21/36/46/521213646.db2.gz VDQDOVFXQOKUNC-ZDUSSCGKSA-N 1 2 355.467 2.801 20 30 FFEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000614970283 521216117 /nfs/dbraw/zinc/21/61/17/521216117.db2.gz WGWVCXYNTDQWNZ-IBGZPJMESA-N 1 2 368.481 2.815 20 30 FFEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1Cc1ccc(Cl)cc1C#N ZINC000599444117 521229837 /nfs/dbraw/zinc/22/98/37/521229837.db2.gz HDQQHBLATPGCML-GOSISDBHSA-N 1 2 352.829 2.816 20 30 FFEDLO COC(=O)[C@]1([NH2+]CCC(=O)Nc2ccccc2C#N)CCCC(C)(C)C1 ZINC000599557941 521298440 /nfs/dbraw/zinc/29/84/40/521298440.db2.gz HWYRNSYYVQIWEB-FQEVSTJZSA-N 1 2 357.454 2.988 20 30 FFEDLO N#CCCN(Cc1ccco1)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000602434237 521341081 /nfs/dbraw/zinc/34/10/81/521341081.db2.gz ODURTULZWQBDFK-UHFFFAOYSA-N 1 2 369.465 2.906 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000594057024 521376551 /nfs/dbraw/zinc/37/65/51/521376551.db2.gz XWQOMQXEYIPNLI-VPWXQRGCSA-N 1 2 354.454 2.991 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)NCc1cc(F)cc(F)c1)C2 ZINC000599679482 521395059 /nfs/dbraw/zinc/39/50/59/521395059.db2.gz UIVXYASHUDHAAU-UHFFFAOYSA-N 1 2 355.388 2.705 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)NCc1cc(F)cc(F)c1)C2 ZINC000599679482 521395061 /nfs/dbraw/zinc/39/50/61/521395061.db2.gz UIVXYASHUDHAAU-UHFFFAOYSA-N 1 2 355.388 2.705 20 30 FFEDLO N#C[C@@]1(F)CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000615538347 521435154 /nfs/dbraw/zinc/43/51/54/521435154.db2.gz BCLJOGRNSUWZFQ-ACJLOTCBSA-N 1 2 366.387 2.576 20 30 FFEDLO N#C[C@@]1(F)CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000615538347 521435160 /nfs/dbraw/zinc/43/51/60/521435160.db2.gz BCLJOGRNSUWZFQ-ACJLOTCBSA-N 1 2 366.387 2.576 20 30 FFEDLO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000602626925 521443565 /nfs/dbraw/zinc/44/35/65/521443565.db2.gz BGKVLFAXSLHNTF-HNNXBMFYSA-N 1 2 357.433 2.654 20 30 FFEDLO COc1cc(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)c(F)cc1C#N ZINC000599815962 521488767 /nfs/dbraw/zinc/48/87/67/521488767.db2.gz CZLXYYZOEOYIEM-UHFFFAOYSA-N 1 2 371.294 2.786 20 30 FFEDLO COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+]2CCC[C@](C)(C#N)C2)cc1OC ZINC000612161575 521512418 /nfs/dbraw/zinc/51/24/18/521512418.db2.gz CQTKHJWKANSUII-FOIQADDNSA-N 1 2 359.470 2.676 20 30 FFEDLO COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+]2CCC[C@](C)(C#N)C2)cc1OC ZINC000612161575 521512427 /nfs/dbraw/zinc/51/24/27/521512427.db2.gz CQTKHJWKANSUII-FOIQADDNSA-N 1 2 359.470 2.676 20 30 FFEDLO C[C@@]1(C#N)CCC[N@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000612162635 521513227 /nfs/dbraw/zinc/51/32/27/521513227.db2.gz IZCLUFYXKUTXPN-UWJYYQICSA-N 1 2 369.465 2.747 20 30 FFEDLO C[C@@]1(C#N)CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000612162635 521513234 /nfs/dbraw/zinc/51/32/34/521513234.db2.gz IZCLUFYXKUTXPN-UWJYYQICSA-N 1 2 369.465 2.747 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@](C)(C#N)C2)c(OC)c1 ZINC000612163101 521514396 /nfs/dbraw/zinc/51/43/96/521514396.db2.gz OKOHMUVGVKVCOM-RXVVDRJESA-N 1 2 371.481 2.993 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@@](C)(C#N)C2)c(OC)c1 ZINC000612163101 521514408 /nfs/dbraw/zinc/51/44/08/521514408.db2.gz OKOHMUVGVKVCOM-RXVVDRJESA-N 1 2 371.481 2.993 20 30 FFEDLO N#CCCCN1C(=O)CCc2cc(Nc3cc(-n4cc[nH+]c4)ncn3)ccc21 ZINC000615726950 521515307 /nfs/dbraw/zinc/51/53/07/521515307.db2.gz FETSWJSFKXGIIU-UHFFFAOYSA-N 1 2 373.420 2.989 20 30 FFEDLO Cc1cn2ccc(NC(=O)N3CCN(c4ccsc4C#N)CC3)cc2[nH+]1 ZINC000597132820 521529706 /nfs/dbraw/zinc/52/97/06/521529706.db2.gz NBZLCRWRBLSVGM-UHFFFAOYSA-N 1 2 366.450 2.930 20 30 FFEDLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000616135460 521628323 /nfs/dbraw/zinc/62/83/23/521628323.db2.gz SNEPUITVESUZJC-HNNXBMFYSA-N 1 2 352.413 2.847 20 30 FFEDLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000616135460 521628326 /nfs/dbraw/zinc/62/83/26/521628326.db2.gz SNEPUITVESUZJC-HNNXBMFYSA-N 1 2 352.413 2.847 20 30 FFEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000625981812 521821601 /nfs/dbraw/zinc/82/16/01/521821601.db2.gz FUAGLWHZTDOXBK-OAHLLOKOSA-N 1 2 361.367 2.941 20 30 FFEDLO N#C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000619784750 521872170 /nfs/dbraw/zinc/87/21/70/521872170.db2.gz PBHAZESZMRFEAZ-IBGZPJMESA-N 1 2 374.916 2.925 20 30 FFEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784566 521872269 /nfs/dbraw/zinc/87/22/69/521872269.db2.gz AYWPQQUYHLYCKC-QAPCUYQASA-N 1 2 360.889 2.533 20 30 FFEDLO C=CC(C)(C)CCNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000636520046 523037876 /nfs/dbraw/zinc/03/78/76/523037876.db2.gz HPKIMPJKPHHBSH-UHFFFAOYSA-N 1 2 372.513 2.653 20 30 FFEDLO Cn1cc(C#N)c(=NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)[nH]1 ZINC000615979543 555261158 /nfs/dbraw/zinc/26/11/58/555261158.db2.gz CWFPIAXVOQSSJR-LSDHHAIUSA-N 1 2 358.833 2.512 20 30 FFEDLO Cn1cc(C#N)c(=NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)[nH]1 ZINC000615979543 555261160 /nfs/dbraw/zinc/26/11/60/555261160.db2.gz CWFPIAXVOQSSJR-LSDHHAIUSA-N 1 2 358.833 2.512 20 30 FFEDLO C[C@@H]1CN(c2ccc(Nc3nccc(C#N)c3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000471617522 561008930 /nfs/dbraw/zinc/00/89/30/561008930.db2.gz GLKKTZYZPIQWTM-VXGBXAGGSA-N 1 2 354.370 2.614 20 30 FFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000669188728 568386356 /nfs/dbraw/zinc/38/63/56/568386356.db2.gz FBGHDZQTLAIAPL-ATZDWAIDSA-N 1 2 355.482 2.540 20 30 FFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000669188728 568386357 /nfs/dbraw/zinc/38/63/57/568386357.db2.gz FBGHDZQTLAIAPL-ATZDWAIDSA-N 1 2 355.482 2.540 20 30 FFEDLO C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000833550595 604925050 /nfs/dbraw/zinc/92/50/50/604925050.db2.gz PBJABTSJKKEEMO-MGPUTAFESA-N 1 2 364.449 2.894 20 30 FFEDLO COc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)cc1C#N ZINC000746576452 735495121 /nfs/dbraw/zinc/49/51/21/735495121.db2.gz NOBTUTAVULLFAQ-INIZCTEOSA-N 1 2 374.238 2.646 20 30 FFEDLO COc1ccc(C#N)cc1C[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000120549291 728612691 /nfs/dbraw/zinc/61/26/91/728612691.db2.gz HHEIKYLRXUFWKE-UHFFFAOYSA-N 1 2 356.857 2.933 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)cc1C#N ZINC000130289339 728716553 /nfs/dbraw/zinc/71/65/53/728716553.db2.gz UAOLVRGEHAHGJX-UHFFFAOYSA-N 1 2 356.451 2.591 20 30 FFEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@](C(=O)OCC)(C(C)C)C2)c1=S ZINC000193344524 729475599 /nfs/dbraw/zinc/47/55/99/729475599.db2.gz DXWRETMOVJHZQR-QGZVFWFLSA-N 1 2 352.504 2.777 20 30 FFEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@](C(=O)OCC)(C(C)C)C2)c1=S ZINC000193344524 729475600 /nfs/dbraw/zinc/47/56/00/729475600.db2.gz DXWRETMOVJHZQR-QGZVFWFLSA-N 1 2 352.504 2.777 20 30 FFEDLO Cc1cc(C(N)=[NH+]OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC000193585315 729483872 /nfs/dbraw/zinc/48/38/72/729483872.db2.gz OYQXWZYDEGCULH-GFCCVEGCSA-N 1 2 361.339 2.572 20 30 FFEDLO CC#CC[NH2+]Cc1cn(Cc2csc(-c3ccccc3OC)n2)nn1 ZINC000640951632 730188690 /nfs/dbraw/zinc/18/86/90/730188690.db2.gz APBSNVHRIICBTK-UHFFFAOYSA-N 1 2 353.451 2.571 20 30 FFEDLO C=CCNC(=O)C[NH2+]Cc1cc(Br)sc1Br ZINC000641745939 730249810 /nfs/dbraw/zinc/24/98/10/730249810.db2.gz HTBZLUFCOJVXIV-UHFFFAOYSA-N 1 2 368.094 2.665 20 30 FFEDLO C#CC[N@@H+](C[C@H](C)CSc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000859188236 730444636 /nfs/dbraw/zinc/44/46/36/730444636.db2.gz HWRNACVJPVMOHW-DOTOQJQBSA-N 1 2 351.537 2.846 20 30 FFEDLO C#CC[N@H+](C[C@H](C)CSc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000859188236 730444637 /nfs/dbraw/zinc/44/46/37/730444637.db2.gz HWRNACVJPVMOHW-DOTOQJQBSA-N 1 2 351.537 2.846 20 30 FFEDLO C=C(Br)C[N@@H+](C)CCOCCN(C)C(=O)OC(C)(C)C ZINC000859660368 730462149 /nfs/dbraw/zinc/46/21/49/730462149.db2.gz PFUWJZMFTODEKS-UHFFFAOYSA-N 1 2 351.285 2.710 20 30 FFEDLO C=C(Br)C[N@H+](C)CCOCCN(C)C(=O)OC(C)(C)C ZINC000859660368 730462150 /nfs/dbraw/zinc/46/21/50/730462150.db2.gz PFUWJZMFTODEKS-UHFFFAOYSA-N 1 2 351.285 2.710 20 30 FFEDLO CN(C)c1cc(Cl)cc(Cl)c1C=[NH+]N[C@@H]1CCCS(=O)(=O)C1 ZINC000863132979 730752471 /nfs/dbraw/zinc/75/24/71/730752471.db2.gz VDLFYYXTSOVTKN-LLVKDONJSA-N 1 2 364.298 2.560 20 30 FFEDLO COCC(COC)NN=C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000863197185 730754383 /nfs/dbraw/zinc/75/43/83/730754383.db2.gz KXKVGAIPZGYNLP-UHFFFAOYSA-N 1 2 357.857 2.682 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CC(F)(F)C(F)(F)F)CC2)cc1 ZINC000864537043 730857929 /nfs/dbraw/zinc/85/79/29/730857929.db2.gz BVYYDFIGLQIMFX-UHFFFAOYSA-N 1 2 361.314 2.790 20 30 FFEDLO C[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1cccc(C#N)c1O ZINC000866268726 731045010 /nfs/dbraw/zinc/04/50/10/731045010.db2.gz DRQPHWBZFMKNHD-JTQLQIEISA-N 1 2 351.332 2.835 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)[C@]2(C#N)CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000866973133 731126763 /nfs/dbraw/zinc/12/67/63/731126763.db2.gz ZPSSJJILCLUIJE-JZXOWHBKSA-N 1 2 365.836 2.661 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)[C@]2(C#N)CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000866973133 731126764 /nfs/dbraw/zinc/12/67/64/731126764.db2.gz ZPSSJJILCLUIJE-JZXOWHBKSA-N 1 2 365.836 2.661 20 30 FFEDLO CC(=[NH+][N-]c1cc(C)[nH+]c(N)n1)c1ccc(N2CCOCC2)cc1Cl ZINC000872420994 731764471 /nfs/dbraw/zinc/76/44/71/731764471.db2.gz UOZYSLDYDQLBSB-UHFFFAOYSA-N 1 2 360.849 2.693 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)nn1 ZINC000657427621 731779028 /nfs/dbraw/zinc/77/90/28/731779028.db2.gz CKLKVXRDIMWYNT-MRXNPFEDSA-N 1 2 363.824 2.542 20 30 FFEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000877773477 732426981 /nfs/dbraw/zinc/42/69/81/732426981.db2.gz PZPKAHKFFZMRFQ-INIZCTEOSA-N 1 2 351.372 2.885 20 30 FFEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000877773477 732426983 /nfs/dbraw/zinc/42/69/83/732426983.db2.gz PZPKAHKFFZMRFQ-INIZCTEOSA-N 1 2 351.372 2.885 20 30 FFEDLO C=C(C)CN(CC)C(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949540 738766990 /nfs/dbraw/zinc/76/69/90/738766990.db2.gz JBBOXRCJLNSBBK-UHFFFAOYSA-N 1 2 354.248 2.511 20 30 FFEDLO COC(=O)c1oc(CO[NH+]=C(N)c2ccc(Br)cc2)cc1C ZINC000782949288 738767080 /nfs/dbraw/zinc/76/70/80/738767080.db2.gz SKNQOMRDAJLEIS-UHFFFAOYSA-N 1 2 367.199 2.974 20 30 FFEDLO C=CCS(=O)(=O)CC[NH2+]Cc1csc(-c2ccc(OC)cc2)n1 ZINC000782968755 738768832 /nfs/dbraw/zinc/76/88/32/738768832.db2.gz OWSDVIWSQKSUMH-UHFFFAOYSA-N 1 2 352.481 2.509 20 30 FFEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cccc(NS(C)(=O)=O)c1 ZINC000730148605 734617862 /nfs/dbraw/zinc/61/78/62/734617862.db2.gz YUYRIIJMQHSGPP-UHFFFAOYSA-N 1 2 354.435 2.864 20 30 FFEDLO CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1cc(Br)cc(F)c1O ZINC000783864616 738843227 /nfs/dbraw/zinc/84/32/27/738843227.db2.gz WITUFZLNSWYDFN-BETUJISGSA-N 1 2 369.238 2.878 20 30 FFEDLO O=C1[C@H]([NH2+]Cc2nc3ccc(Br)cc3s2)CCCN1O ZINC000895158954 734969864 /nfs/dbraw/zinc/96/98/64/734969864.db2.gz AFUKBLBZZMRKPN-SNVBAGLBSA-N 1 2 356.245 2.529 20 30 FFEDLO C#CCC1(O)CC[NH+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000895669443 735038623 /nfs/dbraw/zinc/03/86/23/735038623.db2.gz DQRKTMPYKFPQMR-UHFFFAOYSA-N 1 2 365.264 2.924 20 30 FFEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000928642711 738887983 /nfs/dbraw/zinc/88/79/83/738887983.db2.gz PPEOYUTURZVCOW-GFCCVEGCSA-N 1 2 356.253 2.706 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nnc(NCc2cccs2)s1 ZINC000899899424 735567271 /nfs/dbraw/zinc/56/72/71/735567271.db2.gz YDQCZEGJNREERB-NSHDSACASA-N 1 2 369.541 2.510 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nnc(NCc2cccs2)s1 ZINC000899899424 735567272 /nfs/dbraw/zinc/56/72/72/735567272.db2.gz YDQCZEGJNREERB-NSHDSACASA-N 1 2 369.541 2.510 20 30 FFEDLO C#CCN1CCN(C(=O)C[NH+](Cc2cccs2)Cc2cccs2)CC1 ZINC000748810672 735673608 /nfs/dbraw/zinc/67/36/08/735673608.db2.gz YWMKRHMLUXMUIV-UHFFFAOYSA-N 1 2 373.547 2.589 20 30 FFEDLO C/C(=C/C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)C[NH+]1CCOCC1 ZINC000900643362 735673919 /nfs/dbraw/zinc/67/39/19/735673919.db2.gz MLBJGZDWVVCPDJ-LJEUOOAZSA-N 1 2 368.264 2.953 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](C[C@H](O)c3ccc(Cl)c(F)c3)CC2)n1 ZINC000760912959 736679251 /nfs/dbraw/zinc/67/92/51/736679251.db2.gz HTHYQGIHSLQWOG-KRWDZBQOSA-N 1 2 360.820 2.601 20 30 FFEDLO C#C[C@H](NC(=O)/C=C(\C)C[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000908140601 736725421 /nfs/dbraw/zinc/72/54/21/736725421.db2.gz OLSLNZLULJIKTM-RTGRKSDTSA-N 1 2 350.821 2.548 20 30 FFEDLO O=C1c2cc(Br)cc([N+](=O)[O-])c2OC/C1=C\c1[nH]cc[nH+]1 ZINC000761810922 736762820 /nfs/dbraw/zinc/76/28/20/736762820.db2.gz WALDLNZRSJRDMD-XVNBXDOJSA-N 1 2 350.128 2.739 20 30 FFEDLO C#CCN(C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)C1CSC1 ZINC000912366496 737296490 /nfs/dbraw/zinc/29/64/90/737296490.db2.gz SXGMAQIYZPTAKU-UHFFFAOYSA-N 1 2 352.463 2.588 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000769834859 737571857 /nfs/dbraw/zinc/57/18/57/737571857.db2.gz MMFDNCVCHWLEPS-AWEZNQCLSA-N 1 2 361.873 2.574 20 30 FFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000769975318 737587690 /nfs/dbraw/zinc/58/76/90/737587690.db2.gz CULLHKPCZCMIDE-GFCCVEGCSA-N 1 2 358.360 2.623 20 30 FFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000769975318 737587693 /nfs/dbraw/zinc/58/76/93/737587693.db2.gz CULLHKPCZCMIDE-GFCCVEGCSA-N 1 2 358.360 2.623 20 30 FFEDLO COc1ccc(NC(=S)NN=Cc2cccc3[nH+]ccn32)cc1OC ZINC000771090725 737695419 /nfs/dbraw/zinc/69/54/19/737695419.db2.gz XVKUBMGOVGMZSZ-UHFFFAOYSA-N 1 2 355.423 2.672 20 30 FFEDLO N#CC1(CS(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)CCCCC1 ZINC000920616894 737917442 /nfs/dbraw/zinc/91/74/42/737917442.db2.gz ZUOWOKJJSDUMSG-UHFFFAOYSA-N 1 2 362.499 2.762 20 30 FFEDLO COc1ccc(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)cc1C#N ZINC000775626314 738107414 /nfs/dbraw/zinc/10/74/14/738107414.db2.gz BUYUBVKWVPFILO-INIZCTEOSA-N 1 2 360.410 2.714 20 30 FFEDLO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000778426169 738382029 /nfs/dbraw/zinc/38/20/29/738382029.db2.gz CWTRERBTGSNCAB-TYILLQQXSA-N 1 2 357.479 2.955 20 30 FFEDLO C[C@@H]1CC[C@](CO)([N@@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000778426169 738382031 /nfs/dbraw/zinc/38/20/31/738382031.db2.gz CWTRERBTGSNCAB-TYILLQQXSA-N 1 2 357.479 2.955 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000930551469 739125987 /nfs/dbraw/zinc/12/59/87/739125987.db2.gz CASWCBAUHBDAHQ-HOCLYGCPSA-N 1 2 354.376 2.575 20 30 FFEDLO Cc1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)c(C)cc1I ZINC000930818778 739168134 /nfs/dbraw/zinc/16/81/34/739168134.db2.gz NTNVFBMFZSENRB-OAHLLOKOSA-N 1 2 370.234 2.759 20 30 FFEDLO Cc1cc(C[N@H+]2CC[C@](O)(CC#N)C2)c(C)cc1I ZINC000930818778 739168136 /nfs/dbraw/zinc/16/81/36/739168136.db2.gz NTNVFBMFZSENRB-OAHLLOKOSA-N 1 2 370.234 2.759 20 30 FFEDLO NC(=[NH+]OCc1nnc2n1CCCCC2)c1ccc(Br)cc1 ZINC000788504904 739251975 /nfs/dbraw/zinc/25/19/75/739251975.db2.gz IBWFHHJRNNVRLT-UHFFFAOYSA-N 1 2 364.247 2.604 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931945814 739357434 /nfs/dbraw/zinc/35/74/34/739357434.db2.gz YLIFHDUSFQEALA-ZFWWWQNUSA-N 1 2 360.483 2.832 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931945814 739357439 /nfs/dbraw/zinc/35/74/39/739357439.db2.gz YLIFHDUSFQEALA-ZFWWWQNUSA-N 1 2 360.483 2.832 20 30 FFEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NS(=O)(=O)CC(C)(C)C#N)c(C)c1 ZINC000790039080 739410245 /nfs/dbraw/zinc/41/02/45/739410245.db2.gz PADNTGRWIOPMCX-QGZVFWFLSA-N 1 2 360.483 2.710 20 30 FFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H](CC#N)C(F)(F)F)CC1 ZINC000932909095 739535342 /nfs/dbraw/zinc/53/53/42/739535342.db2.gz GBMFVMNPKJEYCI-DGCLKSJQSA-N 1 2 360.405 2.981 20 30 FFEDLO COc1cc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)c(Br)cn1 ZINC000933645331 739666609 /nfs/dbraw/zinc/66/66/09/739666609.db2.gz MCXYHXXOMGXMTO-UHFFFAOYSA-N 1 2 367.243 2.690 20 30 FFEDLO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cn2nc(CC#N)n(C)c2=S)c1 ZINC000794629166 739912149 /nfs/dbraw/zinc/91/21/49/739912149.db2.gz SLVIMZLLMWWKBG-INIZCTEOSA-N 1 2 356.499 2.878 20 30 FFEDLO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cn2nc(CC#N)n(C)c2=S)c1 ZINC000794629166 739912151 /nfs/dbraw/zinc/91/21/51/739912151.db2.gz SLVIMZLLMWWKBG-INIZCTEOSA-N 1 2 356.499 2.878 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000951699462 740443466 /nfs/dbraw/zinc/44/34/66/740443466.db2.gz FEJIGZFJVPGMCV-KKUMJFAQSA-N 1 2 361.313 2.696 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1csc(C)n1 ZINC000960925450 740628674 /nfs/dbraw/zinc/62/86/74/740628674.db2.gz BQFMAJIPZLHDIY-SQNIBIBYSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1csc(C)n1 ZINC000960925450 740628678 /nfs/dbraw/zinc/62/86/78/740628678.db2.gz BQFMAJIPZLHDIY-SQNIBIBYSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ncc(C)s2)CC1(C)C ZINC000977325950 741074670 /nfs/dbraw/zinc/07/46/70/741074670.db2.gz KBKYLAPEEYABPN-UXLLHSPISA-N 1 2 363.527 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)s2)CC1(C)C ZINC000977325950 741074674 /nfs/dbraw/zinc/07/46/74/741074674.db2.gz KBKYLAPEEYABPN-UXLLHSPISA-N 1 2 363.527 2.759 20 30 FFEDLO CN(C)c1cc(Cl)cc(Cl)c1C=[NH+]NC1CCS(=O)(=O)CC1 ZINC000811646872 741545203 /nfs/dbraw/zinc/54/52/03/741545203.db2.gz OWIKCGFCEXVIMK-UHFFFAOYSA-N 1 2 364.298 2.560 20 30 FFEDLO CN(C)c1ccc(C=[NH+]Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1F ZINC000812231953 741599187 /nfs/dbraw/zinc/59/91/87/741599187.db2.gz LUFWJIYAHWCFPB-UHFFFAOYSA-N 1 2 364.446 2.588 20 30 FFEDLO CS(=O)(=O)N(Cc1ccccc1)N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000814237428 741805630 /nfs/dbraw/zinc/80/56/30/741805630.db2.gz QAXQUYZXDIPZPU-UHFFFAOYSA-N 1 2 354.435 2.668 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)s1 ZINC001007975418 742354487 /nfs/dbraw/zinc/35/44/87/742354487.db2.gz FMXSZMCMHZRNBT-IHETXDGRSA-N 1 2 359.495 2.515 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)s1 ZINC001007975418 742354493 /nfs/dbraw/zinc/35/44/93/742354493.db2.gz FMXSZMCMHZRNBT-IHETXDGRSA-N 1 2 359.495 2.515 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001008575246 742383710 /nfs/dbraw/zinc/38/37/10/742383710.db2.gz MCUVAXIGXUWWPR-LZQZEXGQSA-N 1 2 360.885 2.697 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001008575246 742383715 /nfs/dbraw/zinc/38/37/15/742383715.db2.gz MCUVAXIGXUWWPR-LZQZEXGQSA-N 1 2 360.885 2.697 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001008579154 742384097 /nfs/dbraw/zinc/38/40/97/742384097.db2.gz ZPOVTNGYLAMMMM-MNEFBYGVSA-N 1 2 360.885 2.697 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001008579154 742384100 /nfs/dbraw/zinc/38/41/00/742384100.db2.gz ZPOVTNGYLAMMMM-MNEFBYGVSA-N 1 2 360.885 2.697 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2nsc3ccccc23)C1 ZINC001015725986 742479690 /nfs/dbraw/zinc/47/96/90/742479690.db2.gz HKASBSYHAZJIKP-UNEWFSDZSA-N 1 2 357.479 2.578 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2nsc3ccccc23)C1 ZINC001015725986 742479695 /nfs/dbraw/zinc/47/96/95/742479695.db2.gz HKASBSYHAZJIKP-UNEWFSDZSA-N 1 2 357.479 2.578 20 30 FFEDLO COc1ccc(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1C#N ZINC000821129909 742592729 /nfs/dbraw/zinc/59/27/29/742592729.db2.gz FAWNQGMZZNIOIM-CQSZACIVSA-N 1 2 352.316 2.573 20 30 FFEDLO C[C@H](CC#N)C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000821397613 742621429 /nfs/dbraw/zinc/62/14/29/742621429.db2.gz JPRWBMMMHSRTPJ-CYBMUJFWSA-N 1 2 355.360 2.779 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001033493540 742894420 /nfs/dbraw/zinc/89/44/20/742894420.db2.gz XLPDUXJRFSRZLH-BZSNNMDCSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001033493540 742894428 /nfs/dbraw/zinc/89/44/28/742894428.db2.gz XLPDUXJRFSRZLH-BZSNNMDCSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(C[NH+](CC=C(Cl)Cl)C2)CC1 ZINC001035801000 742959143 /nfs/dbraw/zinc/95/91/43/742959143.db2.gz QBIPEAJVRQHXAM-KGLIPLIRSA-N 1 2 359.297 2.821 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038798422 742985776 /nfs/dbraw/zinc/98/57/76/742985776.db2.gz FAXKPRNWKHJBPS-JLSDUUJJSA-N 1 2 359.495 2.682 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038798422 742985784 /nfs/dbraw/zinc/98/57/84/742985784.db2.gz FAXKPRNWKHJBPS-JLSDUUJJSA-N 1 2 359.495 2.682 20 30 FFEDLO CN(CCc1cccc(C#N)c1)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000825028957 743198116 /nfs/dbraw/zinc/19/81/16/743198116.db2.gz SHYRODFVFHXODE-HNNXBMFYSA-N 1 2 350.344 2.949 20 30 FFEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)CC1 ZINC001052042900 743572177 /nfs/dbraw/zinc/57/21/77/743572177.db2.gz JYCHABBCHDZDSF-CEXWTWQISA-N 1 2 359.539 2.646 20 30 FFEDLO CN(C)S(=O)(=O)c1ccc(N[NH+]=C2CCCc3cc(N)ccc32)cc1 ZINC000834980250 745930032 /nfs/dbraw/zinc/93/00/32/745930032.db2.gz VZFKKLAPBJDXLC-UHFFFAOYSA-N 1 2 358.467 2.672 20 30 FFEDLO Oc1c(Cl)cc(Cl)cc1/C=N/CC1([NH+]2CCOCC2)CCOCC1 ZINC000840712174 747164675 /nfs/dbraw/zinc/16/46/75/747164675.db2.gz WYRFONOFUUBSEP-RGVLZGJSSA-N 1 2 373.280 2.999 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1ccc(F)cc1I)[C@@H]1CCCO1 ZINC000841872818 747479696 /nfs/dbraw/zinc/47/96/96/747479696.db2.gz QHKFNRKTJHEKPF-KGLIPLIRSA-N 1 2 359.182 2.701 20 30 FFEDLO C=CCCn1cc(C[N@H+](C)C[C@H](O)c2cccc(Br)c2)nn1 ZINC000846995470 748594174 /nfs/dbraw/zinc/59/41/74/748594174.db2.gz NRBNBTHJJVTUJP-INIZCTEOSA-N 1 2 365.275 2.782 20 30 FFEDLO C=CCCn1cc(C[N@@H+](C)C[C@H](O)c2cccc(Br)c2)nn1 ZINC000846995470 748594181 /nfs/dbraw/zinc/59/41/81/748594181.db2.gz NRBNBTHJJVTUJP-INIZCTEOSA-N 1 2 365.275 2.782 20 30 FFEDLO Cc1[nH+]cc(C=Nn2c(C)nc3sc4c(c3c2=O)CCCCC4)n1C ZINC000853267756 750040832 /nfs/dbraw/zinc/04/08/32/750040832.db2.gz ATBOKKDURJDMAS-UHFFFAOYSA-N 1 2 355.467 2.959 20 30 FFEDLO C=C1CCC(C(=O)N2CCC[C@@H](N(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000984618090 971317606 /nfs/dbraw/zinc/31/76/06/971317606.db2.gz WIVAWZURJLUIMG-KZNAEPCWSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C1CCC(C(=O)N2CCC[C@@H](N(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000984618090 971317613 /nfs/dbraw/zinc/31/76/13/971317613.db2.gz WIVAWZURJLUIMG-KZNAEPCWSA-N 1 2 370.497 2.709 20 30 FFEDLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC001087959455 971338219 /nfs/dbraw/zinc/33/82/19/971338219.db2.gz ZGTBDMPWLOELOI-UAGQMJEPSA-N 1 2 370.497 2.622 20 30 FFEDLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC001087959455 971338227 /nfs/dbraw/zinc/33/82/27/971338227.db2.gz ZGTBDMPWLOELOI-UAGQMJEPSA-N 1 2 370.497 2.622 20 30 FFEDLO Cc1ccoc1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001075549923 971611161 /nfs/dbraw/zinc/61/11/61/971611161.db2.gz ZEDKHNURLALBFF-MAUKXSAKSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1ccoc1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001075549923 971611166 /nfs/dbraw/zinc/61/11/66/971611166.db2.gz ZEDKHNURLALBFF-MAUKXSAKSA-N 1 2 353.397 2.945 20 30 FFEDLO CCn1c[nH+]c2c1CCN(c1c(C#N)cnc3c(OC)cc(OC)cc31)C2 ZINC000896654081 971653340 /nfs/dbraw/zinc/65/33/40/971653340.db2.gz JIPJESMXODRKBQ-UHFFFAOYSA-N 1 2 363.421 2.903 20 30 FFEDLO CC[C@H](CO)Nc1cc(N2CCC(c3ccc(C#N)cc3)CC2)nc[nH+]1 ZINC000896865286 971926718 /nfs/dbraw/zinc/92/67/18/971926718.db2.gz UJPUOGIFJYWTRM-GOSISDBHSA-N 1 2 351.454 2.915 20 30 FFEDLO CC[C@H](CO)Nc1cc(N2CCC(c3ccc(C#N)cc3)CC2)[nH+]cn1 ZINC000896865286 971926721 /nfs/dbraw/zinc/92/67/21/971926721.db2.gz UJPUOGIFJYWTRM-GOSISDBHSA-N 1 2 351.454 2.915 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(CC)s3)CC[C@@H]2C1 ZINC001088064441 972065624 /nfs/dbraw/zinc/06/56/24/972065624.db2.gz FOQWSSMAVFBFAT-CABCVRRESA-N 1 2 362.543 2.983 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(CC)s3)CC[C@@H]2C1 ZINC001088064441 972065632 /nfs/dbraw/zinc/06/56/32/972065632.db2.gz FOQWSSMAVFBFAT-CABCVRRESA-N 1 2 362.543 2.983 20 30 FFEDLO C=CCC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1C)c1ccccc1 ZINC001211495695 959328015 /nfs/dbraw/zinc/32/80/15/959328015.db2.gz SYNBNFBZZPBSGC-NSISKUIASA-N 1 2 367.497 2.502 20 30 FFEDLO C=CCC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1C)c1ccccc1 ZINC001211495695 959328028 /nfs/dbraw/zinc/32/80/28/959328028.db2.gz SYNBNFBZZPBSGC-NSISKUIASA-N 1 2 367.497 2.502 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000969693358 959766914 /nfs/dbraw/zinc/76/69/14/959766914.db2.gz RXNFTLYQJGHPHG-BKTGTZMESA-N 1 2 364.436 2.883 20 30 FFEDLO C[N@@H+]1CCCn2nc(C(=O)N3CCC(C#Cc4ccccc4)CC3)cc2C1 ZINC001175077436 1013386014 /nfs/dbraw/zinc/38/60/14/1013386014.db2.gz NWJODHZSWBHCPC-UHFFFAOYSA-N 1 2 362.477 2.623 20 30 FFEDLO C[N@H+]1CCCn2nc(C(=O)N3CCC(C#Cc4ccccc4)CC3)cc2C1 ZINC001175077436 1013386025 /nfs/dbraw/zinc/38/60/25/1013386025.db2.gz NWJODHZSWBHCPC-UHFFFAOYSA-N 1 2 362.477 2.623 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001066789376 1013403303 /nfs/dbraw/zinc/40/33/03/1013403303.db2.gz UUXQBGOZBCFRHN-KURKYZTESA-N 1 2 370.497 2.729 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC000971555255 964152815 /nfs/dbraw/zinc/15/28/15/964152815.db2.gz AXPGHJREWPGUFL-ZACQAIPSSA-N 1 2 359.470 2.566 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC000971555255 964152825 /nfs/dbraw/zinc/15/28/25/964152825.db2.gz AXPGHJREWPGUFL-ZACQAIPSSA-N 1 2 359.470 2.566 20 30 FFEDLO Cc1cc(C(=O)N2CCO[C@@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@H]32)cs1 ZINC001083224110 964855217 /nfs/dbraw/zinc/85/52/17/964855217.db2.gz GXYNJGXWBDVGGL-RBUKOAKNSA-N 1 2 367.474 2.654 20 30 FFEDLO Cc1cc(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@@H]32)cs1 ZINC001083224110 964855228 /nfs/dbraw/zinc/85/52/28/964855228.db2.gz GXYNJGXWBDVGGL-RBUKOAKNSA-N 1 2 367.474 2.654 20 30 FFEDLO Cc1cc2ncc(C(=O)NC3CCN(c4cccc[nH+]4)CC3)c(C)n2n1 ZINC000328912777 965046381 /nfs/dbraw/zinc/04/63/81/965046381.db2.gz HMQQXZRZEZSYLD-UHFFFAOYSA-N 1 2 350.426 2.715 20 30 FFEDLO COc1cc(C)cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1O ZINC000894460395 965391573 /nfs/dbraw/zinc/39/15/73/965391573.db2.gz NBAHUVAGOPIIKZ-CABCVRRESA-N 1 2 361.442 2.558 20 30 FFEDLO Cc1cccc2c1CC[N@H+](CC(=O)[C@H](C#N)c1nc3ccccc3c(=O)[nH]1)C2 ZINC000729480215 966012226 /nfs/dbraw/zinc/01/22/26/966012226.db2.gz OYNBUBMIEUJUOL-SFHVURJKSA-N 1 2 372.428 2.878 20 30 FFEDLO Cc1cccc2c1CC[N@@H+](CC(=O)[C@H](C#N)c1nc3ccccc3c(=O)[nH]1)C2 ZINC000729480215 966012236 /nfs/dbraw/zinc/01/22/36/966012236.db2.gz OYNBUBMIEUJUOL-SFHVURJKSA-N 1 2 372.428 2.878 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)C4(F)CCCCC4)[C@H]3C2)cc1 ZINC001083240223 966161250 /nfs/dbraw/zinc/16/12/50/966161250.db2.gz WLRSCNUMEXXNAQ-RBUKOAKNSA-N 1 2 371.456 2.642 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C4(F)CCCCC4)[C@H]3C2)cc1 ZINC001083240223 966161253 /nfs/dbraw/zinc/16/12/53/966161253.db2.gz WLRSCNUMEXXNAQ-RBUKOAKNSA-N 1 2 371.456 2.642 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001211549374 966640822 /nfs/dbraw/zinc/64/08/22/966640822.db2.gz GUBMEOLHKVYSQL-DLBZAZTESA-N 1 2 354.454 2.682 20 30 FFEDLO Cc1cc(C)c(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)C#CC2CC2)c(C)[nH+]1 ZINC000983787688 967186052 /nfs/dbraw/zinc/18/60/52/967186052.db2.gz KITVPLVCMUGPSR-KUHUBIRLSA-N 1 2 367.493 2.777 20 30 FFEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3C[C@H]3Cc3ccccc3)C2)C1 ZINC000972478416 967253897 /nfs/dbraw/zinc/25/38/97/967253897.db2.gz HEKGZNTWIRZRDU-RZUBCFFCSA-N 1 2 354.494 2.745 20 30 FFEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3C[C@H]3Cc3ccccc3)C2)C1 ZINC000972478416 967253904 /nfs/dbraw/zinc/25/39/04/967253904.db2.gz HEKGZNTWIRZRDU-RZUBCFFCSA-N 1 2 354.494 2.745 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001111491297 967362377 /nfs/dbraw/zinc/36/23/77/967362377.db2.gz WJIDUHNQZGYLOS-QVSURHGTSA-N 1 2 357.429 2.510 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001111491297 967362390 /nfs/dbraw/zinc/36/23/90/967362390.db2.gz WJIDUHNQZGYLOS-QVSURHGTSA-N 1 2 357.429 2.510 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)Cc2ccon2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087525308 967661222 /nfs/dbraw/zinc/66/12/22/967661222.db2.gz PLVZLKXDHCXEMY-RBUKOAKNSA-N 1 2 371.868 2.891 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)Cc2ccon2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087525308 967661228 /nfs/dbraw/zinc/66/12/28/967661228.db2.gz PLVZLKXDHCXEMY-RBUKOAKNSA-N 1 2 371.868 2.891 20 30 FFEDLO Cc1ccc(NC(=O)C(=O)N[C@H](CCC#N)c2ccccc2)c(N(C)C)[nH+]1 ZINC000157510472 967674308 /nfs/dbraw/zinc/67/43/08/967674308.db2.gz RTSUMAUMTJOZSM-MRXNPFEDSA-N 1 2 365.437 2.556 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cc(C)nnc2C)[C@H]1CC ZINC001087585338 968292727 /nfs/dbraw/zinc/29/27/27/968292727.db2.gz BUOQOZBMZRFEFY-LSDHHAIUSA-N 1 2 367.291 2.585 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)nnc2C)[C@H]1CC ZINC001087585338 968292733 /nfs/dbraw/zinc/29/27/33/968292733.db2.gz BUOQOZBMZRFEFY-LSDHHAIUSA-N 1 2 367.291 2.585 20 30 FFEDLO CCc1nnsc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1CC ZINC001087645924 968467944 /nfs/dbraw/zinc/46/79/44/968467944.db2.gz BMMJXZGDLWCWMQ-DLBZAZTESA-N 1 2 369.494 2.755 20 30 FFEDLO CCc1nnsc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1CC ZINC001087645924 968467947 /nfs/dbraw/zinc/46/79/47/968467947.db2.gz BMMJXZGDLWCWMQ-DLBZAZTESA-N 1 2 369.494 2.755 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccn(CC)n2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087749768 968891609 /nfs/dbraw/zinc/89/16/09/968891609.db2.gz YRICBMCINSSSHY-PKOBYXMFSA-N 1 2 369.444 2.697 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccn(CC)n2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087749768 968891613 /nfs/dbraw/zinc/89/16/13/968891613.db2.gz YRICBMCINSSSHY-PKOBYXMFSA-N 1 2 369.444 2.697 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC001267565713 969450921 /nfs/dbraw/zinc/45/09/21/969450921.db2.gz SKAOCEBMXNIEHG-MJBXVCDLSA-N 1 2 369.918 2.716 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC001267565713 969450927 /nfs/dbraw/zinc/45/09/27/969450927.db2.gz SKAOCEBMXNIEHG-MJBXVCDLSA-N 1 2 369.918 2.716 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2noc(C(C)C)n2)C1 ZINC001104553205 969614423 /nfs/dbraw/zinc/61/44/23/969614423.db2.gz WCFNUEGVKAQUFS-IAGOWNOFSA-N 1 2 360.502 2.961 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C(C)C)o4)CC[C@@H]3C2)C1 ZINC001088098197 972764533 /nfs/dbraw/zinc/76/45/33/972764533.db2.gz YIWMAVZVILBARX-CVEARBPZSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C(C)C)o4)CC[C@@H]3C2)C1 ZINC001088098197 972764548 /nfs/dbraw/zinc/76/45/48/972764548.db2.gz YIWMAVZVILBARX-CVEARBPZSA-N 1 2 358.486 2.830 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)CCN1C(=O)C#CC1CC1 ZINC000985249254 973330968 /nfs/dbraw/zinc/33/09/68/973330968.db2.gz CMXIYJUJPKSXFH-ZWKOTPCHSA-N 1 2 353.466 2.530 20 30 FFEDLO Cc1c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cnn1CCC#N ZINC000897263020 973695108 /nfs/dbraw/zinc/69/51/08/973695108.db2.gz DTORFECYTSDYKU-ZWKOTPCHSA-N 1 2 373.407 2.559 20 30 FFEDLO Cc1c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cnn1CCC#N ZINC000897263020 973695121 /nfs/dbraw/zinc/69/51/21/973695121.db2.gz DTORFECYTSDYKU-ZWKOTPCHSA-N 1 2 373.407 2.559 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncc(CC)o2)C1 ZINC001027415722 974388693 /nfs/dbraw/zinc/38/86/93/974388693.db2.gz QIRUBEFZAZMGSD-NXHRZFHOSA-N 1 2 361.486 2.641 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ncc(CC)o2)C1 ZINC001027415722 974388701 /nfs/dbraw/zinc/38/87/01/974388701.db2.gz QIRUBEFZAZMGSD-NXHRZFHOSA-N 1 2 361.486 2.641 20 30 FFEDLO C=CC[N@@H+](Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1CC)C(C)(C)C ZINC000661755572 974772170 /nfs/dbraw/zinc/77/21/70/974772170.db2.gz UVAPXSBNXITQIB-UHFFFAOYSA-N 1 2 361.490 2.905 20 30 FFEDLO C=CC[N@H+](Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1CC)C(C)(C)C ZINC000661755572 974772173 /nfs/dbraw/zinc/77/21/73/974772173.db2.gz UVAPXSBNXITQIB-UHFFFAOYSA-N 1 2 361.490 2.905 20 30 FFEDLO N#Cc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(F)cc1F ZINC000876347756 1014235106 /nfs/dbraw/zinc/23/51/06/1014235106.db2.gz UKGSVGONNGWJBI-SFHVURJKSA-N 1 2 357.360 2.676 20 30 FFEDLO N#Cc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(F)cc1F ZINC000876347756 1014235112 /nfs/dbraw/zinc/23/51/12/1014235112.db2.gz UKGSVGONNGWJBI-SFHVURJKSA-N 1 2 357.360 2.676 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3[nH]c(C)cc3C)[C@@H]2C1 ZINC001075951601 975549201 /nfs/dbraw/zinc/54/92/01/975549201.db2.gz XYESXPQBXDHQDF-UONOGXRCSA-N 1 2 352.276 2.686 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3[nH]c(C)cc3C)[C@@H]2C1 ZINC001075951601 975549210 /nfs/dbraw/zinc/54/92/10/975549210.db2.gz XYESXPQBXDHQDF-UONOGXRCSA-N 1 2 352.276 2.686 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CC3CC(F)(F)C3)[C@@H]2C1 ZINC001075963861 975773460 /nfs/dbraw/zinc/77/34/60/975773460.db2.gz YVXBDZOTXQXJCC-QWHCGFSZSA-N 1 2 363.246 2.863 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC(F)(F)C3)[C@@H]2C1 ZINC001075963861 975773467 /nfs/dbraw/zinc/77/34/67/975773467.db2.gz YVXBDZOTXQXJCC-QWHCGFSZSA-N 1 2 363.246 2.863 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)[nH]nc2C(F)(F)F)[C@H]1C ZINC001088751879 975781589 /nfs/dbraw/zinc/78/15/89/975781589.db2.gz KNYTXRFUCUPVIJ-ZJUUUORDSA-N 1 2 350.772 2.682 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)[nH]nc2C(F)(F)F)[C@H]1C ZINC001088751879 975781599 /nfs/dbraw/zinc/78/15/99/975781599.db2.gz KNYTXRFUCUPVIJ-ZJUUUORDSA-N 1 2 350.772 2.682 20 30 FFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000663435309 975883530 /nfs/dbraw/zinc/88/35/30/975883530.db2.gz BCNYRCKZPJRKKN-ZCNNSNEGSA-N 1 2 355.482 2.780 20 30 FFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000663435309 975883535 /nfs/dbraw/zinc/88/35/35/975883535.db2.gz BCNYRCKZPJRKKN-ZCNNSNEGSA-N 1 2 355.482 2.780 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3coc(-c4ccccn4)n3)[C@@H]2C1 ZINC001075987971 975948756 /nfs/dbraw/zinc/94/87/56/975948756.db2.gz SFMHEXAMFXBIEM-XJKSGUPXSA-N 1 2 358.829 2.635 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3coc(-c4ccccn4)n3)[C@@H]2C1 ZINC001075987971 975948763 /nfs/dbraw/zinc/94/87/63/975948763.db2.gz SFMHEXAMFXBIEM-XJKSGUPXSA-N 1 2 358.829 2.635 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)CC(F)(F)F)[C@@H]2C1 ZINC001075589562 975981123 /nfs/dbraw/zinc/98/11/23/975981123.db2.gz BKFYVYUHKWRKLR-SWLSCSKDSA-N 1 2 355.335 2.682 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)CC(F)(F)F)[C@@H]2C1 ZINC001075589562 975981136 /nfs/dbraw/zinc/98/11/36/975981136.db2.gz BKFYVYUHKWRKLR-SWLSCSKDSA-N 1 2 355.335 2.682 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)CC1 ZINC000981191034 976330204 /nfs/dbraw/zinc/33/02/04/976330204.db2.gz MMTOUYIHFWDRFD-LEWJYISDSA-N 1 2 360.461 2.791 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)CC1 ZINC000981191034 976330216 /nfs/dbraw/zinc/33/02/16/976330216.db2.gz MMTOUYIHFWDRFD-LEWJYISDSA-N 1 2 360.461 2.791 20 30 FFEDLO O=C([C@@H]1CCO[C@H]1C1CC1)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981656848 976687208 /nfs/dbraw/zinc/68/72/08/976687208.db2.gz MMHYITWBBBJGKS-RTWAWAEBSA-N 1 2 370.468 2.527 20 30 FFEDLO O=C([C@@H]1CCO[C@H]1C1CC1)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981656848 976687216 /nfs/dbraw/zinc/68/72/16/976687216.db2.gz MMHYITWBBBJGKS-RTWAWAEBSA-N 1 2 370.468 2.527 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc(F)c3)[C@@H]2C1 ZINC001075605159 977016355 /nfs/dbraw/zinc/01/63/55/977016355.db2.gz RIUZVAUOQOXKOL-MAUKXSAKSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)c3ccnc(F)c3)[C@@H]2C1 ZINC001075605159 977016368 /nfs/dbraw/zinc/01/63/68/977016368.db2.gz RIUZVAUOQOXKOL-MAUKXSAKSA-N 1 2 368.387 2.578 20 30 FFEDLO C#CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000899269024 977064917 /nfs/dbraw/zinc/06/49/17/977064917.db2.gz CHXLBMIYYCIVHP-MRXNPFEDSA-N 1 2 374.485 2.696 20 30 FFEDLO COCc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)o1 ZINC001076015806 977438845 /nfs/dbraw/zinc/43/88/45/977438845.db2.gz BJVFINNVJHZZHD-PKOBYXMFSA-N 1 2 365.433 2.644 20 30 FFEDLO COCc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)o1 ZINC001076015806 977438851 /nfs/dbraw/zinc/43/88/51/977438851.db2.gz BJVFINNVJHZZHD-PKOBYXMFSA-N 1 2 365.433 2.644 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC001087443917 977595128 /nfs/dbraw/zinc/59/51/28/977595128.db2.gz MXUXAPMGWGNONR-IAGOWNOFSA-N 1 2 353.491 2.927 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC001087443917 977595135 /nfs/dbraw/zinc/59/51/35/977595135.db2.gz MXUXAPMGWGNONR-IAGOWNOFSA-N 1 2 353.491 2.927 20 30 FFEDLO O=C(c1cnco1)N1CC[C@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001076103008 979112611 /nfs/dbraw/zinc/11/26/11/979112611.db2.gz AHZSTJYPOXFWHD-DOTOQJQBSA-N 1 2 355.825 2.526 20 30 FFEDLO O=C(c1cnco1)N1CC[C@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001076103008 979112614 /nfs/dbraw/zinc/11/26/14/979112614.db2.gz AHZSTJYPOXFWHD-DOTOQJQBSA-N 1 2 355.825 2.526 20 30 FFEDLO Cc1nc(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)cs1 ZINC001076170209 979176121 /nfs/dbraw/zinc/17/61/21/979176121.db2.gz VRHSDOIYQKSAAK-KBXCAEBGSA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1nc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)cs1 ZINC001076170209 979176124 /nfs/dbraw/zinc/17/61/24/979176124.db2.gz VRHSDOIYQKSAAK-KBXCAEBGSA-N 1 2 370.453 2.809 20 30 FFEDLO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(F)cc4F)C[C@H]32)c1 ZINC001076223376 979244096 /nfs/dbraw/zinc/24/40/96/979244096.db2.gz WDCGJJONMFHVFL-OXJNMPFZSA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(F)cc4F)C[C@H]32)c1 ZINC001076223376 979244102 /nfs/dbraw/zinc/24/41/02/979244102.db2.gz WDCGJJONMFHVFL-OXJNMPFZSA-N 1 2 367.399 2.688 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@]1(CO)CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001271972454 979379410 /nfs/dbraw/zinc/37/94/10/979379410.db2.gz AGOTZTUXNCCRCU-KNKQGSTJSA-N 1 2 369.509 2.684 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@]1(CO)CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001271972454 979379413 /nfs/dbraw/zinc/37/94/13/979379413.db2.gz AGOTZTUXNCCRCU-KNKQGSTJSA-N 1 2 369.509 2.684 20 30 FFEDLO O=C(c1nccs1)N1CC[C@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001076391019 979449568 /nfs/dbraw/zinc/44/95/68/979449568.db2.gz ZKOWKDDWFYWGQZ-DOTOQJQBSA-N 1 2 371.893 2.995 20 30 FFEDLO O=C(c1nccs1)N1CC[C@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001076391019 979449571 /nfs/dbraw/zinc/44/95/71/979449571.db2.gz ZKOWKDDWFYWGQZ-DOTOQJQBSA-N 1 2 371.893 2.995 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccc(O)cc3)CC2)cc1 ZINC000728929596 979477621 /nfs/dbraw/zinc/47/76/21/979477621.db2.gz MZFSLSWXCFJXRO-UHFFFAOYSA-N 1 2 351.406 2.746 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cnns3)C[C@H]21)c1ccccc1 ZINC001076599507 979702378 /nfs/dbraw/zinc/70/23/78/979702378.db2.gz RYNDVPSTUSLCEK-RYQLBKOJSA-N 1 2 354.479 2.541 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cnns3)C[C@H]21)c1ccccc1 ZINC001076599507 979702385 /nfs/dbraw/zinc/70/23/85/979702385.db2.gz RYNDVPSTUSLCEK-RYQLBKOJSA-N 1 2 354.479 2.541 20 30 FFEDLO Cc1ccc(CCC(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)s1 ZINC001272013793 979724759 /nfs/dbraw/zinc/72/47/59/979724759.db2.gz RWDXVWMBSMITOT-UHFFFAOYSA-N 1 2 368.506 2.544 20 30 FFEDLO Cc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)n1 ZINC001088472195 979762808 /nfs/dbraw/zinc/76/28/08/979762808.db2.gz ZNWOQTIDTRCVCK-KDOFPFPSSA-N 1 2 352.413 2.794 20 30 FFEDLO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)n1 ZINC001088472195 979762814 /nfs/dbraw/zinc/76/28/14/979762814.db2.gz ZNWOQTIDTRCVCK-KDOFPFPSSA-N 1 2 352.413 2.794 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)Nc3ccccc3)[C@@H]2C)CC1 ZINC001088835468 979782834 /nfs/dbraw/zinc/78/28/34/979782834.db2.gz YJVNCLXCXIRARN-APWZRJJASA-N 1 2 355.482 2.951 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3)[C@@H]2C)CC1 ZINC001088835468 979782842 /nfs/dbraw/zinc/78/28/42/979782842.db2.gz YJVNCLXCXIRARN-APWZRJJASA-N 1 2 355.482 2.951 20 30 FFEDLO Cc1ncsc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088480370 979792455 /nfs/dbraw/zinc/79/24/55/979792455.db2.gz ADUVICJHEOEDAW-WBMJQRKESA-N 1 2 358.442 2.855 20 30 FFEDLO Cc1ncsc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088480370 979792460 /nfs/dbraw/zinc/79/24/60/979792460.db2.gz ADUVICJHEOEDAW-WBMJQRKESA-N 1 2 358.442 2.855 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCC([C@@H](C)NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000987003586 980425714 /nfs/dbraw/zinc/42/57/14/980425714.db2.gz UXMKMGLVWMIDCB-DJIMGWMZSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCC([C@@H](C)NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000987003586 980425718 /nfs/dbraw/zinc/42/57/18/980425718.db2.gz UXMKMGLVWMIDCB-DJIMGWMZSA-N 1 2 370.497 2.613 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)ns1 ZINC001088542288 980492919 /nfs/dbraw/zinc/49/29/19/980492919.db2.gz WCHHHVFIWBARPB-PBHICJAKSA-N 1 2 357.454 2.835 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)ns1 ZINC001088542288 980492921 /nfs/dbraw/zinc/49/29/21/980492921.db2.gz WCHHHVFIWBARPB-PBHICJAKSA-N 1 2 357.454 2.835 20 30 FFEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001482611780 981093336 /nfs/dbraw/zinc/09/33/36/981093336.db2.gz DWJVOTCVAHSVFL-QUCCMNQESA-N 1 2 359.445 2.547 20 30 FFEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001482611780 981093344 /nfs/dbraw/zinc/09/33/44/981093344.db2.gz DWJVOTCVAHSVFL-QUCCMNQESA-N 1 2 359.445 2.547 20 30 FFEDLO COc1ccc(NC(=S)NN=C(C)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000729640659 981222204 /nfs/dbraw/zinc/22/22/04/981222204.db2.gz GBRQMDYPJDHLSP-UHFFFAOYSA-N 1 2 366.450 2.987 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncn3cc(Cl)ccc23)[C@H]1C ZINC001088578497 981289086 /nfs/dbraw/zinc/28/90/86/981289086.db2.gz FLZZEGSGZUFRFV-YPMHNXCESA-N 1 2 353.253 2.933 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncn3cc(Cl)ccc23)[C@H]1C ZINC001088578497 981289088 /nfs/dbraw/zinc/28/90/88/981289088.db2.gz FLZZEGSGZUFRFV-YPMHNXCESA-N 1 2 353.253 2.933 20 30 FFEDLO COc1cc(C)cnc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088628821 982034342 /nfs/dbraw/zinc/03/43/42/982034342.db2.gz RRLUGEWBSARWCN-QAPCUYQASA-N 1 2 364.449 2.663 20 30 FFEDLO COc1cc(C)cnc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088628821 982034351 /nfs/dbraw/zinc/03/43/51/982034351.db2.gz RRLUGEWBSARWCN-QAPCUYQASA-N 1 2 364.449 2.663 20 30 FFEDLO Cc1noc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)c1C ZINC001088648357 982145632 /nfs/dbraw/zinc/14/56/32/982145632.db2.gz FPSUQTKTNGGTCK-DYVFJYSZSA-N 1 2 356.401 2.695 20 30 FFEDLO Cc1noc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)c1C ZINC001088648357 982145637 /nfs/dbraw/zinc/14/56/37/982145637.db2.gz FPSUQTKTNGGTCK-DYVFJYSZSA-N 1 2 356.401 2.695 20 30 FFEDLO CC(=O)c1ccc(N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)c(F)c1 ZINC000126917935 1014867015 /nfs/dbraw/zinc/86/70/15/1014867015.db2.gz HCLPBVVPQMZXPH-NRFANRHFSA-N 1 2 367.424 2.756 20 30 FFEDLO CCOC(=O)C[N@H+](CCc1ccccc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000156353497 984325591 /nfs/dbraw/zinc/32/55/91/984325591.db2.gz NLNMPFKYFXUITO-FQEVSTJZSA-N 1 2 352.434 2.699 20 30 FFEDLO CCOC(=O)C[N@@H+](CCc1ccccc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000156353497 984325595 /nfs/dbraw/zinc/32/55/95/984325595.db2.gz NLNMPFKYFXUITO-FQEVSTJZSA-N 1 2 352.434 2.699 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2sccc2Cl)C[C@H]1OC ZINC001212146049 984331942 /nfs/dbraw/zinc/33/19/42/984331942.db2.gz IATKHOVXAARNJU-HUUCEWRRSA-N 1 2 354.903 2.911 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2sccc2Cl)C[C@H]1OC ZINC001212146049 984331949 /nfs/dbraw/zinc/33/19/49/984331949.db2.gz IATKHOVXAARNJU-HUUCEWRRSA-N 1 2 354.903 2.911 20 30 FFEDLO C#CCOc1ccc(F)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000156564073 984344973 /nfs/dbraw/zinc/34/49/73/984344973.db2.gz JEQCSVUTNLTCJR-FQEVSTJZSA-N 1 2 368.408 2.677 20 30 FFEDLO C#CCOc1ccc(F)cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000156564073 984344976 /nfs/dbraw/zinc/34/49/76/984344976.db2.gz JEQCSVUTNLTCJR-FQEVSTJZSA-N 1 2 368.408 2.677 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)no2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088892136 985346829 /nfs/dbraw/zinc/34/68/29/985346829.db2.gz JPJZURCQSMCOFW-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)no2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088892136 985346837 /nfs/dbraw/zinc/34/68/37/985346837.db2.gz JPJZURCQSMCOFW-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)no2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088892073 985347039 /nfs/dbraw/zinc/34/70/39/985347039.db2.gz FZFGJZWKVNQKMX-DYVFJYSZSA-N 1 2 350.422 2.816 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)no2)CC[N@H+]1Cc1ccccc1C#N ZINC001088892073 985347051 /nfs/dbraw/zinc/34/70/51/985347051.db2.gz FZFGJZWKVNQKMX-DYVFJYSZSA-N 1 2 350.422 2.816 20 30 FFEDLO CC[C@H](C#N)Oc1cc(CNc2[nH+]cnc3c2cnn3C)ccc1OC ZINC000172069098 985453493 /nfs/dbraw/zinc/45/34/93/985453493.db2.gz DAKHVCPZUBWCGB-CYBMUJFWSA-N 1 2 352.398 2.665 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnoc2C2CC2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088953100 985593082 /nfs/dbraw/zinc/59/30/82/985593082.db2.gz BBSNPFTYTJOVQI-XIKOKIGWSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnoc2C2CC2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088953100 985593091 /nfs/dbraw/zinc/59/30/91/985593091.db2.gz BBSNPFTYTJOVQI-XIKOKIGWSA-N 1 2 368.412 2.956 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc4ccccc4o3)[C@@H]2C)nc1 ZINC001088987974 985771607 /nfs/dbraw/zinc/77/16/07/985771607.db2.gz YRBOGTAUMNYDLO-ZBFHGGJFSA-N 1 2 360.417 2.597 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc4ccccc4o3)[C@@H]2C)nc1 ZINC001088987974 985771613 /nfs/dbraw/zinc/77/16/13/985771613.db2.gz YRBOGTAUMNYDLO-ZBFHGGJFSA-N 1 2 360.417 2.597 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)no1 ZINC001088989474 985783459 /nfs/dbraw/zinc/78/34/59/985783459.db2.gz WEQYKBANLGFNTA-PXAZEXFGSA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)no1 ZINC001088989474 985783468 /nfs/dbraw/zinc/78/34/68/985783468.db2.gz WEQYKBANLGFNTA-PXAZEXFGSA-N 1 2 356.401 2.641 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3F)[C@@H]2C)cn1 ZINC001088990743 985789213 /nfs/dbraw/zinc/78/92/13/985789213.db2.gz NMWBIMIBEYFZJY-YJYMSZOUSA-N 1 2 355.388 2.734 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3F)[C@@H]2C)cn1 ZINC001088990743 985789220 /nfs/dbraw/zinc/78/92/20/985789220.db2.gz NMWBIMIBEYFZJY-YJYMSZOUSA-N 1 2 355.388 2.734 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cncnc2C2CC2)CC[N@@H+]1Cc1ccccc1C#N ZINC001089014115 985906570 /nfs/dbraw/zinc/90/65/70/985906570.db2.gz DOUKXSXCVOBRPA-KUHUBIRLSA-N 1 2 361.449 2.618 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cncnc2C2CC2)CC[N@H+]1Cc1ccccc1C#N ZINC001089014115 985906580 /nfs/dbraw/zinc/90/65/80/985906580.db2.gz DOUKXSXCVOBRPA-KUHUBIRLSA-N 1 2 361.449 2.618 20 30 FFEDLO CCCCCCCCOCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1OC ZINC001212414256 986385389 /nfs/dbraw/zinc/38/53/89/986385389.db2.gz HUXDSJOFZDBTLL-CZDHMLMNSA-N 1 2 360.926 2.931 20 30 FFEDLO CCCCCCCCOCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1OC ZINC001212414256 986385398 /nfs/dbraw/zinc/38/53/98/986385398.db2.gz HUXDSJOFZDBTLL-CZDHMLMNSA-N 1 2 360.926 2.931 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)c4ccc(Cl)s4)C3)C2)cc1C#N ZINC001272295397 986426095 /nfs/dbraw/zinc/42/60/95/986426095.db2.gz LNKAIRSBHAXPDF-UHFFFAOYSA-N 1 2 360.870 2.570 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)cc3Cl)C[C@@H]2O)cc1 ZINC001083691591 986715675 /nfs/dbraw/zinc/71/56/75/986715675.db2.gz XCMAGEQEUOKALB-UXHICEINSA-N 1 2 368.864 2.605 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C)cc3Cl)C[C@@H]2O)cc1 ZINC001083691591 986715685 /nfs/dbraw/zinc/71/56/85/986715685.db2.gz XCMAGEQEUOKALB-UXHICEINSA-N 1 2 368.864 2.605 20 30 FFEDLO CC(C)c1ccsc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078221315 987079158 /nfs/dbraw/zinc/07/91/58/987079158.db2.gz RDZISGYRHBJOGM-QZTJIDSGSA-N 1 2 369.490 2.718 20 30 FFEDLO CC(C)c1ccsc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078221315 987079165 /nfs/dbraw/zinc/07/91/65/987079165.db2.gz RDZISGYRHBJOGM-QZTJIDSGSA-N 1 2 369.490 2.718 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](CCOc2cccc3ccccc32)C1 ZINC001030978224 987131663 /nfs/dbraw/zinc/13/16/63/987131663.db2.gz BBSIYHVJXHQJGO-UXHICEINSA-N 1 2 366.461 2.610 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001061041514 987253287 /nfs/dbraw/zinc/25/32/87/987253287.db2.gz ZBOOEGQRAUDHIM-HZPDHXFCSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001061041514 987253293 /nfs/dbraw/zinc/25/32/93/987253293.db2.gz ZBOOEGQRAUDHIM-HZPDHXFCSA-N 1 2 370.497 2.567 20 30 FFEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)/C=C\c2ccccc2C#N)CC1 ZINC000914452738 987693130 /nfs/dbraw/zinc/69/31/30/987693130.db2.gz UIODNYTVXNSNBW-KHPPLWFESA-N 1 2 374.444 2.598 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001007732199 1015359568 /nfs/dbraw/zinc/35/95/68/1015359568.db2.gz YXFDNMKODVDNSD-BTYIYWSLSA-N 1 2 366.465 2.886 20 30 FFEDLO C#CC[C@@H]([NH2+]Cc1nnc2n1c1ccccc1c(=O)n2CC)c1ccccc1 ZINC001168722838 988398658 /nfs/dbraw/zinc/39/86/58/988398658.db2.gz IOGKPBNCZDZIPZ-GOSISDBHSA-N 1 2 371.444 2.918 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC001033086454 988759496 /nfs/dbraw/zinc/75/94/96/988759496.db2.gz INAZZKGMYXAOMO-JZXOWHBKSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001033086454 988759508 /nfs/dbraw/zinc/75/95/08/988759508.db2.gz INAZZKGMYXAOMO-JZXOWHBKSA-N 1 2 364.436 2.979 20 30 FFEDLO N#Cc1ccc(OC2CN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C2)cc1 ZINC000130619904 988911497 /nfs/dbraw/zinc/91/14/97/988911497.db2.gz JYWJCKZTTDOHHU-UHFFFAOYSA-N 1 2 358.401 2.706 20 30 FFEDLO CO[C@@H]1C[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)Cc3cccnc3N2C1 ZINC000879272347 1015453226 /nfs/dbraw/zinc/45/32/26/1015453226.db2.gz MXBQWLWBXAKULO-ZWKOTPCHSA-N 1 2 352.413 2.702 20 30 FFEDLO CO[C@@H]1C[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)Cc3cccnc3N2C1 ZINC000879272347 1015453232 /nfs/dbraw/zinc/45/32/32/1015453232.db2.gz MXBQWLWBXAKULO-ZWKOTPCHSA-N 1 2 352.413 2.702 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)ccc1F ZINC001008001865 1015453046 /nfs/dbraw/zinc/45/30/46/1015453046.db2.gz XDFZQTCQBMOESR-GGPKGHCWSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)ccc1F ZINC001008001865 1015453053 /nfs/dbraw/zinc/45/30/53/1015453053.db2.gz XDFZQTCQBMOESR-GGPKGHCWSA-N 1 2 371.456 2.593 20 30 FFEDLO C#CCCCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001078922844 989457059 /nfs/dbraw/zinc/45/70/59/989457059.db2.gz BBWIVEWPOSPOCN-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO C#CCCCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001078922844 989457064 /nfs/dbraw/zinc/45/70/64/989457064.db2.gz BBWIVEWPOSPOCN-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO COC[C@]1(C(=O)OC(C)(C)C)C[N@@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000879359983 1015497428 /nfs/dbraw/zinc/49/74/28/1015497428.db2.gz OCULSBBOYQZSAJ-QRWLVFNGSA-N 1 2 360.454 2.678 20 30 FFEDLO COC[C@]1(C(=O)OC(C)(C)C)C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000879359983 1015497432 /nfs/dbraw/zinc/49/74/32/1015497432.db2.gz OCULSBBOYQZSAJ-QRWLVFNGSA-N 1 2 360.454 2.678 20 30 FFEDLO C[C@H](CCCCNc1ccc(C#N)nc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001090153819 989814697 /nfs/dbraw/zinc/81/46/97/989814697.db2.gz PQNMHJDSMFHIKY-ZTFGCOKTSA-N 1 2 366.469 2.577 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1n1ccnn1 ZINC001129184593 990483225 /nfs/dbraw/zinc/48/32/25/990483225.db2.gz IENGJJGNCCGOTN-LZQZEXGQSA-N 1 2 371.460 2.561 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1n1ccnn1 ZINC001129184593 990483230 /nfs/dbraw/zinc/48/32/30/990483230.db2.gz IENGJJGNCCGOTN-LZQZEXGQSA-N 1 2 371.460 2.561 20 30 FFEDLO C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000676191143 990502022 /nfs/dbraw/zinc/50/20/22/990502022.db2.gz FSXARHDNRZWTQG-UHFFFAOYSA-N 1 2 365.437 2.796 20 30 FFEDLO C=CCN(C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)C(C)C ZINC000920919808 990932866 /nfs/dbraw/zinc/93/28/66/990932866.db2.gz ABISOOMECHPIRK-UHFFFAOYSA-N 1 2 361.486 2.504 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1n1ccnn1 ZINC001129289356 991302701 /nfs/dbraw/zinc/30/27/01/991302701.db2.gz WHQBWZVIANJLLL-MSOLQXFVSA-N 1 2 371.460 2.561 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1n1ccnn1 ZINC001129289356 991302706 /nfs/dbraw/zinc/30/27/06/991302706.db2.gz WHQBWZVIANJLLL-MSOLQXFVSA-N 1 2 371.460 2.561 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001060755990 991313864 /nfs/dbraw/zinc/31/38/64/991313864.db2.gz YCIKQGPOSNMZDI-KLHDSHLOSA-N 1 2 358.486 2.517 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001060755990 991313874 /nfs/dbraw/zinc/31/38/74/991313874.db2.gz YCIKQGPOSNMZDI-KLHDSHLOSA-N 1 2 358.486 2.517 20 30 FFEDLO C=CCCCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001079052448 991319092 /nfs/dbraw/zinc/31/90/92/991319092.db2.gz NYCBSRIFMPGPTH-BRWVUGGUSA-N 1 2 358.486 2.709 20 30 FFEDLO C=CCCCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001079052448 991319103 /nfs/dbraw/zinc/31/91/03/991319103.db2.gz NYCBSRIFMPGPTH-BRWVUGGUSA-N 1 2 358.486 2.709 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2CN(c3nc(C)[nH+]c4c3CCCC4)C[C@H]21 ZINC001090309743 991700830 /nfs/dbraw/zinc/70/08/30/991700830.db2.gz MLXREFNBUCTSOB-QFBILLFUSA-N 1 2 352.482 2.504 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C(C)(C)C(C)C ZINC001212334657 991713655 /nfs/dbraw/zinc/71/36/55/991713655.db2.gz CMXLNBCQEJHMET-QZTJIDSGSA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C(C)(C)C(C)C ZINC001212334657 991713659 /nfs/dbraw/zinc/71/36/59/991713659.db2.gz CMXLNBCQEJHMET-QZTJIDSGSA-N 1 2 361.461 2.695 20 30 FFEDLO NC(=NOCc1csc(C2CC2)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181846386 991901959 /nfs/dbraw/zinc/90/19/59/991901959.db2.gz VDWTVSFODWWVJD-QGZVFWFLSA-N 1 2 372.494 2.710 20 30 FFEDLO NC(=NOCc1csc(C2CC2)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181846386 991901971 /nfs/dbraw/zinc/90/19/71/991901971.db2.gz VDWTVSFODWWVJD-QGZVFWFLSA-N 1 2 372.494 2.710 20 30 FFEDLO Cc1cc(C)c(C(=O)N2C[C@@H](c3ccccc3F)[C@H](NCC#N)C2)c(C)[nH+]1 ZINC001079303997 991954917 /nfs/dbraw/zinc/95/49/17/991954917.db2.gz LRHXRSKQDUDVCY-PKOBYXMFSA-N 1 2 366.440 2.867 20 30 FFEDLO C=C(Br)C[N@H+](C)CCOCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001485775096 992018101 /nfs/dbraw/zinc/01/81/01/992018101.db2.gz VQQSTJJHVJAAMD-HRCADAONSA-N 1 2 373.335 2.786 20 30 FFEDLO C=C(Br)C[N@@H+](C)CCOCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001485775096 992018108 /nfs/dbraw/zinc/01/81/08/992018108.db2.gz VQQSTJJHVJAAMD-HRCADAONSA-N 1 2 373.335 2.786 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)o1 ZINC001079527857 992164402 /nfs/dbraw/zinc/16/44/02/992164402.db2.gz IKORZPKMWZKNTD-PIGZYNQJSA-N 1 2 356.401 2.553 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)o1 ZINC001079527857 992164409 /nfs/dbraw/zinc/16/44/09/992164409.db2.gz IKORZPKMWZKNTD-PIGZYNQJSA-N 1 2 356.401 2.553 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2Cl)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079593866 992246727 /nfs/dbraw/zinc/24/67/27/992246727.db2.gz JNBJGMGWZVVUJF-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2Cl)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079593866 992246735 /nfs/dbraw/zinc/24/67/35/992246735.db2.gz JNBJGMGWZVVUJF-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]2C)co1 ZINC001079599792 992248057 /nfs/dbraw/zinc/24/80/57/992248057.db2.gz AIIUMWVSEAGVHU-RHSMWYFYSA-N 1 2 371.868 2.992 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]2C)co1 ZINC001079599792 992248061 /nfs/dbraw/zinc/24/80/61/992248061.db2.gz AIIUMWVSEAGVHU-RHSMWYFYSA-N 1 2 371.868 2.992 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001079830244 992473765 /nfs/dbraw/zinc/47/37/65/992473765.db2.gz XUGCBLIRWBZLFT-QMTHXVAHSA-N 1 2 352.276 2.851 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001079830244 992473769 /nfs/dbraw/zinc/47/37/69/992473769.db2.gz XUGCBLIRWBZLFT-QMTHXVAHSA-N 1 2 352.276 2.851 20 30 FFEDLO Cc1noc(C2CC2)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080148255 992791220 /nfs/dbraw/zinc/79/12/20/992791220.db2.gz CMQXSCNMRNMBEN-FZKQIMNGSA-N 1 2 364.449 2.982 20 30 FFEDLO Cc1noc(C2CC2)c1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080148255 992791227 /nfs/dbraw/zinc/79/12/27/992791227.db2.gz CMQXSCNMRNMBEN-FZKQIMNGSA-N 1 2 364.449 2.982 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)c1cccnc1 ZINC001080800388 993363465 /nfs/dbraw/zinc/36/34/65/993363465.db2.gz OXRMOHXCKUGAMJ-QEEYODRMSA-N 1 2 366.440 2.833 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)c1cccnc1 ZINC001080800388 993363471 /nfs/dbraw/zinc/36/34/71/993363471.db2.gz OXRMOHXCKUGAMJ-QEEYODRMSA-N 1 2 366.440 2.833 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2OC)C1 ZINC001080814094 993387192 /nfs/dbraw/zinc/38/71/92/993387192.db2.gz DIGAUWIKFMTLGY-IUODEOHRSA-N 1 2 367.287 2.962 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2OC)C1 ZINC001080814094 993387193 /nfs/dbraw/zinc/38/71/93/993387193.db2.gz DIGAUWIKFMTLGY-IUODEOHRSA-N 1 2 367.287 2.962 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001080923538 993478904 /nfs/dbraw/zinc/47/89/04/993478904.db2.gz FUWWHAKJZYUMTB-RDTXWAMCSA-N 1 2 369.440 2.786 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001080923538 993478908 /nfs/dbraw/zinc/47/89/08/993478908.db2.gz FUWWHAKJZYUMTB-RDTXWAMCSA-N 1 2 369.440 2.786 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001081022012 993573504 /nfs/dbraw/zinc/57/35/04/993573504.db2.gz CEFDHJKFKMTQNI-FONMDYLGSA-N 1 2 353.304 2.624 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001081022012 993573508 /nfs/dbraw/zinc/57/35/08/993573508.db2.gz CEFDHJKFKMTQNI-FONMDYLGSA-N 1 2 353.304 2.624 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@]1(C)CC=CCC1 ZINC001081729736 993939387 /nfs/dbraw/zinc/93/93/87/993939387.db2.gz ANITYOWOFJBTEH-SBHAEUEKSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@]1(C)CC=CCC1 ZINC001081729736 993939395 /nfs/dbraw/zinc/93/93/95/993939395.db2.gz ANITYOWOFJBTEH-SBHAEUEKSA-N 1 2 371.456 2.759 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC=CCCC1 ZINC001081845463 994015139 /nfs/dbraw/zinc/01/51/39/994015139.db2.gz GZIJBZZHWKOYKS-BHDDXSALSA-N 1 2 366.505 2.990 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC=CCCC1 ZINC001081845463 994015146 /nfs/dbraw/zinc/01/51/46/994015146.db2.gz GZIJBZZHWKOYKS-BHDDXSALSA-N 1 2 366.505 2.990 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CCCC12CC2 ZINC001081850408 994017825 /nfs/dbraw/zinc/01/78/25/994017825.db2.gz HSMDIGHHIXOWKV-BRWVUGGUSA-N 1 2 359.495 2.515 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CCCC12CC2 ZINC001081850408 994017829 /nfs/dbraw/zinc/01/78/29/994017829.db2.gz HSMDIGHHIXOWKV-BRWVUGGUSA-N 1 2 359.495 2.515 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cc[nH]c1C(C)C ZINC001082049711 994122895 /nfs/dbraw/zinc/12/28/95/994122895.db2.gz XIVFWUBESYKRKX-RTBURBONSA-N 1 2 366.465 2.639 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cc[nH]c1C(C)C ZINC001082049711 994122897 /nfs/dbraw/zinc/12/28/97/994122897.db2.gz XIVFWUBESYKRKX-RTBURBONSA-N 1 2 366.465 2.639 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001082110626 994192445 /nfs/dbraw/zinc/19/24/45/994192445.db2.gz AFMGZCAQTFLRKC-KBRIMQKVSA-N 1 2 361.511 2.761 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001082110626 994192448 /nfs/dbraw/zinc/19/24/48/994192448.db2.gz AFMGZCAQTFLRKC-KBRIMQKVSA-N 1 2 361.511 2.761 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1CC12CCCC2 ZINC001082302988 994350184 /nfs/dbraw/zinc/35/01/84/994350184.db2.gz YQUGXSDHNYXZPN-BHIYHBOVSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1CC12CCCC2 ZINC001082302988 994350194 /nfs/dbraw/zinc/35/01/94/994350194.db2.gz YQUGXSDHNYXZPN-BHIYHBOVSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CC[C@H](C)CC1 ZINC001082335130 994379263 /nfs/dbraw/zinc/37/92/63/994379263.db2.gz YFEZEIWXMHOEEJ-XNFNUYLZSA-N 1 2 355.482 2.700 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CC[C@H](C)CC1 ZINC001082335130 994379273 /nfs/dbraw/zinc/37/92/73/994379273.db2.gz YFEZEIWXMHOEEJ-XNFNUYLZSA-N 1 2 355.482 2.700 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H](C)c1ccccc1 ZINC001082334563 994379878 /nfs/dbraw/zinc/37/98/78/994379878.db2.gz SLJZBSAJMMPTCM-NIKGAXFTSA-N 1 2 369.490 2.739 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H](C)c1ccccc1 ZINC001082334563 994379887 /nfs/dbraw/zinc/37/98/87/994379887.db2.gz SLJZBSAJMMPTCM-NIKGAXFTSA-N 1 2 369.490 2.739 20 30 FFEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1)c1ccc(Cl)cc1 ZINC000810474739 994798271 /nfs/dbraw/zinc/79/82/71/994798271.db2.gz ZKQSGZOLBKNYLG-MRXNPFEDSA-N 1 2 366.808 2.725 20 30 FFEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1)c1ccc(Cl)cc1 ZINC000810474738 994798378 /nfs/dbraw/zinc/79/83/78/994798378.db2.gz ZKQSGZOLBKNYLG-INIZCTEOSA-N 1 2 366.808 2.725 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001096532767 1015989209 /nfs/dbraw/zinc/98/92/09/1015989209.db2.gz VQQLKKFOOLSGTI-NEWSRXKRSA-N 1 2 364.449 2.952 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001096532767 1015989219 /nfs/dbraw/zinc/98/92/19/1015989219.db2.gz VQQLKKFOOLSGTI-NEWSRXKRSA-N 1 2 364.449 2.952 20 30 FFEDLO CC(C)(CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21)C1CC1 ZINC001083074768 996028021 /nfs/dbraw/zinc/02/80/21/996028021.db2.gz MOBKUQDHZNBVJJ-LEWJYISDSA-N 1 2 366.505 2.776 20 30 FFEDLO CC(C)(CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21)C1CC1 ZINC001083074768 996028024 /nfs/dbraw/zinc/02/80/24/996028024.db2.gz MOBKUQDHZNBVJJ-LEWJYISDSA-N 1 2 366.505 2.776 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)CCC4CCC4)[C@H]3C2)cc1F ZINC001083041467 996038227 /nfs/dbraw/zinc/03/82/27/996038227.db2.gz JXVXNOJUYQFBEZ-VQTJNVASSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)CCC4CCC4)[C@H]3C2)cc1F ZINC001083041467 996038231 /nfs/dbraw/zinc/03/82/31/996038231.db2.gz JXVXNOJUYQFBEZ-VQTJNVASSA-N 1 2 371.456 2.689 20 30 FFEDLO C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(F)cc4)C[C@@H]32)cc1 ZINC001083160096 996127904 /nfs/dbraw/zinc/12/79/04/996127904.db2.gz JEYMXIDRNOLVMO-LEWJYISDSA-N 1 2 364.420 2.532 20 30 FFEDLO C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(F)cc4)C[C@@H]32)cc1 ZINC001083160096 996127906 /nfs/dbraw/zinc/12/79/06/996127906.db2.gz JEYMXIDRNOLVMO-LEWJYISDSA-N 1 2 364.420 2.532 20 30 FFEDLO COc1c(C)c[nH+]c(CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)c1C ZINC000728166369 996160273 /nfs/dbraw/zinc/16/02/73/996160273.db2.gz FNJIYFLEKNLEHL-LJQANCHMSA-N 1 2 364.449 2.864 20 30 FFEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)c1ccc2ccccc2c1 ZINC001083988019 996187845 /nfs/dbraw/zinc/18/78/45/996187845.db2.gz LBQFGRUHBIEYMP-PKTZIBPZSA-N 1 2 370.452 2.666 20 30 FFEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)c1ccc2ccccc2c1 ZINC001083988019 996187849 /nfs/dbraw/zinc/18/78/49/996187849.db2.gz LBQFGRUHBIEYMP-PKTZIBPZSA-N 1 2 370.452 2.666 20 30 FFEDLO Cc1c[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096539557 1016015212 /nfs/dbraw/zinc/01/52/12/1016015212.db2.gz JPNURRDLGIUOGL-MNEFBYGVSA-N 1 2 352.413 2.869 20 30 FFEDLO Cc1c[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096539557 1016015222 /nfs/dbraw/zinc/01/52/22/1016015222.db2.gz JPNURRDLGIUOGL-MNEFBYGVSA-N 1 2 352.413 2.869 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)o1 ZINC001084171498 996302224 /nfs/dbraw/zinc/30/22/24/996302224.db2.gz GBBPYNJGOVEHFW-IEBWSBKVSA-N 1 2 352.409 2.925 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)o1 ZINC001084171498 996302228 /nfs/dbraw/zinc/30/22/28/996302228.db2.gz GBBPYNJGOVEHFW-IEBWSBKVSA-N 1 2 352.409 2.925 20 30 FFEDLO Cc1occc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084176399 996307218 /nfs/dbraw/zinc/30/72/18/996307218.db2.gz WVJNQRAAXHPFLD-VQIMIIECSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1occc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084176399 996307222 /nfs/dbraw/zinc/30/72/22/996307222.db2.gz WVJNQRAAXHPFLD-VQIMIIECSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1ncc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)s1 ZINC001084223847 996371335 /nfs/dbraw/zinc/37/13/35/996371335.db2.gz ITVKQSDIYIXEJX-QZTJIDSGSA-N 1 2 351.475 2.650 20 30 FFEDLO Cc1ncc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)s1 ZINC001084223847 996371339 /nfs/dbraw/zinc/37/13/39/996371339.db2.gz ITVKQSDIYIXEJX-QZTJIDSGSA-N 1 2 351.475 2.650 20 30 FFEDLO C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21)n1cccc1 ZINC001084285597 996389999 /nfs/dbraw/zinc/38/99/99/996389999.db2.gz JDSWVLJOPUVUFE-WRWLIDTKSA-N 1 2 366.440 2.793 20 30 FFEDLO C[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21)n1cccc1 ZINC001084285597 996390002 /nfs/dbraw/zinc/39/00/02/996390002.db2.gz JDSWVLJOPUVUFE-WRWLIDTKSA-N 1 2 366.440 2.793 20 30 FFEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4c(F)cccc4F)C[C@H]32)[nH]1 ZINC001084288168 996394041 /nfs/dbraw/zinc/39/40/41/996394041.db2.gz JCORZKXYDKKDQZ-KZULUSFZSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4c(F)cccc4F)C[C@H]32)[nH]1 ZINC001084288168 996394044 /nfs/dbraw/zinc/39/40/44/996394044.db2.gz JCORZKXYDKKDQZ-KZULUSFZSA-N 1 2 356.376 2.511 20 30 FFEDLO CC[C@@H](SC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084283441 996428238 /nfs/dbraw/zinc/42/82/38/996428238.db2.gz AZIIHWZSIHVDBT-ZTFGCOKTSA-N 1 2 361.486 2.872 20 30 FFEDLO CC[C@@H](SC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084283441 996428242 /nfs/dbraw/zinc/42/82/42/996428242.db2.gz AZIIHWZSIHVDBT-ZTFGCOKTSA-N 1 2 361.486 2.872 20 30 FFEDLO CC[C@H](SC)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084283784 996428952 /nfs/dbraw/zinc/42/89/52/996428952.db2.gz NLSCEXHDSCVYOP-OLMNPRSZSA-N 1 2 361.486 2.872 20 30 FFEDLO CC[C@H](SC)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084283784 996428953 /nfs/dbraw/zinc/42/89/53/996428953.db2.gz NLSCEXHDSCVYOP-OLMNPRSZSA-N 1 2 361.486 2.872 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCCOCC4)[C@@H]3C2)c(F)c1 ZINC001084311630 996443467 /nfs/dbraw/zinc/44/34/67/996443467.db2.gz SFUBODUKSNVHGN-ILZDJORESA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCCOCC4)[C@@H]3C2)c(F)c1 ZINC001084311630 996443470 /nfs/dbraw/zinc/44/34/70/996443470.db2.gz SFUBODUKSNVHGN-ILZDJORESA-N 1 2 371.456 2.547 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc4c(c3)CCCO4)[C@@H]2C1 ZINC001084430865 996556409 /nfs/dbraw/zinc/55/64/09/996556409.db2.gz FATIFUBWAWOLIS-QZTJIDSGSA-N 1 2 360.885 2.839 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc4c(c3)CCCO4)[C@@H]2C1 ZINC001084430865 996556413 /nfs/dbraw/zinc/55/64/13/996556413.db2.gz FATIFUBWAWOLIS-QZTJIDSGSA-N 1 2 360.885 2.839 20 30 FFEDLO C=CCOc1ccccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C)no3)C[C@H]21 ZINC001084459970 996570469 /nfs/dbraw/zinc/57/04/69/996570469.db2.gz DEYWXOPKSGJXMG-VQIMIIECSA-N 1 2 367.449 2.894 20 30 FFEDLO C=CCOc1ccccc1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C)no3)C[C@H]21 ZINC001084459970 996570473 /nfs/dbraw/zinc/57/04/73/996570473.db2.gz DEYWXOPKSGJXMG-VQIMIIECSA-N 1 2 367.449 2.894 20 30 FFEDLO N#Cc1ccc(CN2CC[C@@H]3CN(C(=O)c4ccn5c[nH+]cc5c4)[C@@H]3C2)cc1 ZINC001084487918 996607546 /nfs/dbraw/zinc/60/75/46/996607546.db2.gz DWLJKTJFSOBFBP-TZIWHRDSSA-N 1 2 371.444 2.552 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3)C[C@H]21 ZINC001084574738 996703464 /nfs/dbraw/zinc/70/34/64/996703464.db2.gz JQBQUUNXNSPTKR-LZLYRXPVSA-N 1 2 355.482 2.759 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3)C[C@H]21 ZINC001084574738 996703468 /nfs/dbraw/zinc/70/34/68/996703468.db2.gz JQBQUUNXNSPTKR-LZLYRXPVSA-N 1 2 355.482 2.759 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)cs1 ZINC001084605660 996712641 /nfs/dbraw/zinc/71/26/41/996712641.db2.gz ZFWPBQHQISVDDD-VQIMIIECSA-N 1 2 369.465 2.789 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)cs1 ZINC001084605660 996712645 /nfs/dbraw/zinc/71/26/45/996712645.db2.gz ZFWPBQHQISVDDD-VQIMIIECSA-N 1 2 369.465 2.789 20 30 FFEDLO Cc1coc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)c1 ZINC001084594779 996714027 /nfs/dbraw/zinc/71/40/27/996714027.db2.gz XWHLULKUIUYEEN-SJLPKXTDSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1coc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)c1 ZINC001084594779 996714033 /nfs/dbraw/zinc/71/40/33/996714033.db2.gz XWHLULKUIUYEEN-SJLPKXTDSA-N 1 2 353.397 2.945 20 30 FFEDLO Cc1ccoc1CC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084646598 996758666 /nfs/dbraw/zinc/75/86/66/996758666.db2.gz NMTDBROOXNPGBT-VQIMIIECSA-N 1 2 367.424 2.874 20 30 FFEDLO Cc1ccoc1CC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084646598 996758671 /nfs/dbraw/zinc/75/86/71/996758671.db2.gz NMTDBROOXNPGBT-VQIMIIECSA-N 1 2 367.424 2.874 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C4CC4)n[nH]3)[C@@H]2C1 ZINC001084679686 996865819 /nfs/dbraw/zinc/86/58/19/996865819.db2.gz DSMYFLRVVUUTLQ-YLJYHZDGSA-N 1 2 361.449 2.505 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C4CC4)n[nH]3)[C@@H]2C1 ZINC001084679686 996865830 /nfs/dbraw/zinc/86/58/30/996865830.db2.gz DSMYFLRVVUUTLQ-YLJYHZDGSA-N 1 2 361.449 2.505 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC45CCC5)[C@@H]3C2)c(F)c1 ZINC001084689637 996917196 /nfs/dbraw/zinc/91/71/96/996917196.db2.gz MJVIOWCQAODBTF-ZHALLVOQSA-N 1 2 353.441 2.920 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC45CCC5)[C@@H]3C2)c(F)c1 ZINC001084689637 996917207 /nfs/dbraw/zinc/91/72/07/996917207.db2.gz MJVIOWCQAODBTF-ZHALLVOQSA-N 1 2 353.441 2.920 20 30 FFEDLO CC1(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)CCOCC1 ZINC001084722933 997064728 /nfs/dbraw/zinc/06/47/28/997064728.db2.gz KOAAZWZGIIZAIB-UYAOXDASSA-N 1 2 370.468 2.527 20 30 FFEDLO CC1(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)CCOCC1 ZINC001084722933 997064738 /nfs/dbraw/zinc/06/47/38/997064738.db2.gz KOAAZWZGIIZAIB-UYAOXDASSA-N 1 2 370.468 2.527 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000824867941 997113555 /nfs/dbraw/zinc/11/35/55/997113555.db2.gz ZIZHKVRHVYNDPP-UHFFFAOYSA-N 1 2 365.433 2.939 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000824866919 997114700 /nfs/dbraw/zinc/11/47/00/997114700.db2.gz JHVKCIPRIZJHLF-UHFFFAOYSA-N 1 2 352.394 2.548 20 30 FFEDLO COc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)o1 ZINC001084737047 997125358 /nfs/dbraw/zinc/12/53/58/997125358.db2.gz PSUMSASDRVFFIE-RHSMWYFYSA-N 1 2 369.396 2.645 20 30 FFEDLO COc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)o1 ZINC001084737047 997125368 /nfs/dbraw/zinc/12/53/68/997125368.db2.gz PSUMSASDRVFFIE-RHSMWYFYSA-N 1 2 369.396 2.645 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4c[nH]cn4)cc3)[C@@H]2C1 ZINC001084754158 997208836 /nfs/dbraw/zinc/20/88/36/997208836.db2.gz BOSQSURVYXCLNL-SJLPKXTDSA-N 1 2 356.857 2.976 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4c[nH]cn4)cc3)[C@@H]2C1 ZINC001084754158 997208842 /nfs/dbraw/zinc/20/88/42/997208842.db2.gz BOSQSURVYXCLNL-SJLPKXTDSA-N 1 2 356.857 2.976 20 30 FFEDLO O=C(c1csc(Cl)n1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084759381 997225633 /nfs/dbraw/zinc/22/56/33/997225633.db2.gz IBMSTEYQHDXLSS-NVXWUHKLSA-N 1 2 371.893 2.995 20 30 FFEDLO O=C(c1csc(Cl)n1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084759381 997225646 /nfs/dbraw/zinc/22/56/46/997225646.db2.gz IBMSTEYQHDXLSS-NVXWUHKLSA-N 1 2 371.893 2.995 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c(C)nn(C(C)C)c3C)[C@@H]2C1 ZINC001084767384 997266966 /nfs/dbraw/zinc/26/69/66/997266966.db2.gz TYRSMGIGASKNTC-SJLPKXTDSA-N 1 2 364.921 2.909 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c(C)nn(C(C)C)c3C)[C@@H]2C1 ZINC001084767384 997266975 /nfs/dbraw/zinc/26/69/75/997266975.db2.gz TYRSMGIGASKNTC-SJLPKXTDSA-N 1 2 364.921 2.909 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)Nc2nc3cc(C#N)ccc3[nH]2)cc1 ZINC000825339815 997326202 /nfs/dbraw/zinc/32/62/02/997326202.db2.gz LGIWEQFUIGDXFN-GOSISDBHSA-N 1 2 361.405 2.656 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)Nc2nc3cc(C#N)ccc3[nH]2)cc1 ZINC000825339815 997326210 /nfs/dbraw/zinc/32/62/10/997326210.db2.gz LGIWEQFUIGDXFN-GOSISDBHSA-N 1 2 361.405 2.656 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(OC)cc(OC)c3)[C@@H]2C1 ZINC001084795073 997415960 /nfs/dbraw/zinc/41/59/60/997415960.db2.gz KCAQDGNJUUUJBT-CXAGYDPISA-N 1 2 350.846 2.603 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(OC)cc(OC)c3)[C@@H]2C1 ZINC001084795073 997415966 /nfs/dbraw/zinc/41/59/66/997415966.db2.gz KCAQDGNJUUUJBT-CXAGYDPISA-N 1 2 350.846 2.603 20 30 FFEDLO N#Cc1oc2ccccc2c1NC(=O)[C@@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001143659559 997493363 /nfs/dbraw/zinc/49/33/63/997493363.db2.gz YFKGWHPFNOMUFI-JXFKEZNVSA-N 1 2 361.401 2.878 20 30 FFEDLO N#Cc1oc2ccccc2c1NC(=O)[C@@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1 ZINC001143659559 997493368 /nfs/dbraw/zinc/49/33/68/997493368.db2.gz YFKGWHPFNOMUFI-JXFKEZNVSA-N 1 2 361.401 2.878 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccc(C)cc3OC)[C@@H]2C1 ZINC001084816421 997514086 /nfs/dbraw/zinc/51/40/86/997514086.db2.gz DWOWLKKKBLDRKP-HZPDHXFCSA-N 1 2 364.873 2.668 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc(C)cc3OC)[C@@H]2C1 ZINC001084816421 997514094 /nfs/dbraw/zinc/51/40/94/997514094.db2.gz DWOWLKKKBLDRKP-HZPDHXFCSA-N 1 2 364.873 2.668 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3nocc3C)C[C@H]21)c1ccccc1 ZINC001084846866 997630812 /nfs/dbraw/zinc/63/08/12/997630812.db2.gz AVNKYMWLZLGXKF-QWFCFKBJSA-N 1 2 351.450 2.986 20 30 FFEDLO C=C[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3nocc3C)C[C@H]21)c1ccccc1 ZINC001084846866 997630822 /nfs/dbraw/zinc/63/08/22/997630822.db2.gz AVNKYMWLZLGXKF-QWFCFKBJSA-N 1 2 351.450 2.986 20 30 FFEDLO O=C(C(F)F)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC001084877613 997771972 /nfs/dbraw/zinc/77/19/72/997771972.db2.gz BCKLFWDZSFDANP-ZBFHGGJFSA-N 1 2 352.812 2.879 20 30 FFEDLO O=C(C(F)F)N1CC[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC001084877613 997771976 /nfs/dbraw/zinc/77/19/76/997771976.db2.gz BCKLFWDZSFDANP-ZBFHGGJFSA-N 1 2 352.812 2.879 20 30 FFEDLO COc1ccc(NC(=O)C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1Cl ZINC000844365295 997836679 /nfs/dbraw/zinc/83/66/79/997836679.db2.gz DKYZJNAJWGAVQC-QGZVFWFLSA-N 1 2 373.840 2.824 20 30 FFEDLO COc1ccc(NC(=O)C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1Cl ZINC000844365295 997836693 /nfs/dbraw/zinc/83/66/93/997836693.db2.gz DKYZJNAJWGAVQC-QGZVFWFLSA-N 1 2 373.840 2.824 20 30 FFEDLO C[N@@H+](CC(=O)N1CCSc2ccccc21)C[C@H](O)c1cccc(C#N)c1 ZINC000844366986 997842014 /nfs/dbraw/zinc/84/20/14/997842014.db2.gz LGDOEWFMTOGFQZ-SFHVURJKSA-N 1 2 367.474 2.662 20 30 FFEDLO C[N@H+](CC(=O)N1CCSc2ccccc21)C[C@H](O)c1cccc(C#N)c1 ZINC000844366986 997842024 /nfs/dbraw/zinc/84/20/24/997842024.db2.gz LGDOEWFMTOGFQZ-SFHVURJKSA-N 1 2 367.474 2.662 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(C1)CC(Nc1cc[nH+]c(C)n1)C2 ZINC001056544120 1016169642 /nfs/dbraw/zinc/16/96/42/1016169642.db2.gz NJGIDMPZIJZFFA-MIKZSQDASA-N 1 2 356.470 2.606 20 30 FFEDLO CC(=O)c1ccc2c(c1)CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC2 ZINC000677379995 1016173740 /nfs/dbraw/zinc/17/37/40/1016173740.db2.gz JBJQCSLUMAANAP-UHFFFAOYSA-N 1 2 367.493 2.975 20 30 FFEDLO CC(=O)c1ccc2c(c1)CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC2 ZINC000677379995 1016173747 /nfs/dbraw/zinc/17/37/47/1016173747.db2.gz JBJQCSLUMAANAP-UHFFFAOYSA-N 1 2 367.493 2.975 20 30 FFEDLO Cc1nc(N[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2C)c2c([nH+]1)CCCC2 ZINC001090971098 998001058 /nfs/dbraw/zinc/00/10/58/998001058.db2.gz LBHHGDDWXWQLSW-RDTXWAMCSA-N 1 2 354.498 2.972 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2cccc(CC#N)n2)CC1 ZINC000881154567 1016186264 /nfs/dbraw/zinc/18/62/64/1016186264.db2.gz XOGLWRQMSNLNKI-UHFFFAOYSA-N 1 2 365.437 2.506 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC001084937591 998220821 /nfs/dbraw/zinc/22/08/21/998220821.db2.gz IMCNMYAJAWBRGW-UZLBHIALSA-N 1 2 351.425 2.534 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC001084937591 998220833 /nfs/dbraw/zinc/22/08/33/998220833.db2.gz IMCNMYAJAWBRGW-UZLBHIALSA-N 1 2 351.425 2.534 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]c(=NC(=O)OCC)sc2c1 ZINC000732063906 998434164 /nfs/dbraw/zinc/43/41/64/998434164.db2.gz NMZURXJVAAPGIK-AWEZNQCLSA-N 1 2 372.450 2.901 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]c(=NC(=O)OCC)sc2c1 ZINC000732063906 998434168 /nfs/dbraw/zinc/43/41/68/998434168.db2.gz NMZURXJVAAPGIK-AWEZNQCLSA-N 1 2 372.450 2.901 20 30 FFEDLO C[C@H](CC(=O)O[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)n1cc[nH+]c1 ZINC000845282507 998463855 /nfs/dbraw/zinc/46/38/55/998463855.db2.gz WZBVYKXDPYXYOJ-BWRBCVJASA-N 1 2 360.458 2.697 20 30 FFEDLO COC(=O)[C@](C)(Cc1ccc(O)cc1)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171183037 998548610 /nfs/dbraw/zinc/54/86/10/998548610.db2.gz AMLDWWUCSOPGLR-VFNWGFHPSA-N 1 2 352.434 2.959 20 30 FFEDLO N#C[C@@H](C(=O)C[N@@H+]1CC[C@@H](c2ccco2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000732205096 998548623 /nfs/dbraw/zinc/54/86/23/998548623.db2.gz AJZGPEOPHWEQOC-HIFRSBDPSA-N 1 2 362.389 2.594 20 30 FFEDLO N#C[C@@H](C(=O)C[N@H+]1CC[C@@H](c2ccco2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000732205096 998548635 /nfs/dbraw/zinc/54/86/35/998548635.db2.gz AJZGPEOPHWEQOC-HIFRSBDPSA-N 1 2 362.389 2.594 20 30 FFEDLO Cc1nocc1C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001085021385 998694388 /nfs/dbraw/zinc/69/43/88/998694388.db2.gz RIYSZTCJLWYMNL-KUHUBIRLSA-N 1 2 368.412 2.730 20 30 FFEDLO Cc1nocc1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001085021385 998694389 /nfs/dbraw/zinc/69/43/89/998694389.db2.gz RIYSZTCJLWYMNL-KUHUBIRLSA-N 1 2 368.412 2.730 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCc2ccc(O)cc2C1 ZINC000738324962 999625512 /nfs/dbraw/zinc/62/55/12/999625512.db2.gz YCMCODCNBIUAQI-GOSISDBHSA-N 1 2 370.412 2.988 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000738324962 999625513 /nfs/dbraw/zinc/62/55/13/999625513.db2.gz YCMCODCNBIUAQI-GOSISDBHSA-N 1 2 370.412 2.988 20 30 FFEDLO CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108226461 999698179 /nfs/dbraw/zinc/69/81/79/999698179.db2.gz VRGGPFVORPLDLS-KCZVDYSFSA-N 1 2 369.509 2.948 20 30 FFEDLO CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108226461 999698181 /nfs/dbraw/zinc/69/81/81/999698181.db2.gz VRGGPFVORPLDLS-KCZVDYSFSA-N 1 2 369.509 2.948 20 30 FFEDLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000741147682 999711624 /nfs/dbraw/zinc/71/16/24/999711624.db2.gz LFPOYQYOOAMXRZ-AEFFLSMTSA-N 1 2 357.454 2.739 20 30 FFEDLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000741147682 999711626 /nfs/dbraw/zinc/71/16/26/999711626.db2.gz LFPOYQYOOAMXRZ-AEFFLSMTSA-N 1 2 357.454 2.739 20 30 FFEDLO CC[N@H+](C)[C@@H](C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000741150858 999711797 /nfs/dbraw/zinc/71/17/97/999711797.db2.gz ONDLFNYEHSRSDY-FUHWJXTLSA-N 1 2 371.481 2.954 20 30 FFEDLO CC[N@@H+](C)[C@@H](C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000741150858 999711800 /nfs/dbraw/zinc/71/18/00/999711800.db2.gz ONDLFNYEHSRSDY-FUHWJXTLSA-N 1 2 371.481 2.954 20 30 FFEDLO CC[N@H+](C)[C@@H](C(=O)OCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 ZINC000741150210 999712085 /nfs/dbraw/zinc/71/20/85/999712085.db2.gz AHJAYHPNTRZOPH-LJQANCHMSA-N 1 2 371.481 2.907 20 30 FFEDLO CC[N@@H+](C)[C@@H](C(=O)OCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 ZINC000741150210 999712086 /nfs/dbraw/zinc/71/20/86/999712086.db2.gz AHJAYHPNTRZOPH-LJQANCHMSA-N 1 2 371.481 2.907 20 30 FFEDLO C(=[NH+][N-]c1cc[nH+]c2ccccc12)c1c(N2CCOCC2)nc2ccccn21 ZINC000741809790 999743849 /nfs/dbraw/zinc/74/38/49/999743849.db2.gz JGOSENDIFBIJQT-UHFFFAOYSA-N 1 2 372.432 2.587 20 30 FFEDLO C(=[NH+]Nc1ccnc2ccccc21)c1c(N2CCOCC2)nc2ccccn21 ZINC000741809790 999743851 /nfs/dbraw/zinc/74/38/51/999743851.db2.gz JGOSENDIFBIJQT-UHFFFAOYSA-N 1 2 372.432 2.587 20 30 FFEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCCN(C(=O)OCC)CC1 ZINC001169650683 1000065790 /nfs/dbraw/zinc/06/57/90/1000065790.db2.gz BPLCZGJNTIPYKS-OALUTQOASA-N 1 2 374.481 2.928 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C2CC2)no1 ZINC001109039833 1000154087 /nfs/dbraw/zinc/15/40/87/1000154087.db2.gz IWDNYKZFURQXLD-MDUILUSMSA-N 1 2 359.470 2.755 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C2CC2)no1 ZINC001109039833 1000154088 /nfs/dbraw/zinc/15/40/88/1000154088.db2.gz IWDNYKZFURQXLD-MDUILUSMSA-N 1 2 359.470 2.755 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nnc(-c2ccccc2)o1 ZINC001109042533 1000154552 /nfs/dbraw/zinc/15/45/52/1000154552.db2.gz ADVDMXMHPGYQJB-IKGGRYGDSA-N 1 2 352.438 2.924 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nnc(-c2ccccc2)o1 ZINC001109042533 1000154554 /nfs/dbraw/zinc/15/45/54/1000154554.db2.gz ADVDMXMHPGYQJB-IKGGRYGDSA-N 1 2 352.438 2.924 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)Nc1cccc(F)c1 ZINC001109043206 1000155086 /nfs/dbraw/zinc/15/50/86/1000155086.db2.gz MQBUPLIYJYUSOD-ZSGPHXLJSA-N 1 2 359.445 2.840 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)Nc1cccc(F)c1 ZINC001109043206 1000155087 /nfs/dbraw/zinc/15/50/87/1000155087.db2.gz MQBUPLIYJYUSOD-ZSGPHXLJSA-N 1 2 359.445 2.840 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(OC)cc1 ZINC001109351052 1000295674 /nfs/dbraw/zinc/29/56/74/1000295674.db2.gz MJIUWPWMFRPHBF-NEWSRXKRSA-N 1 2 371.481 2.712 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(OC)cc1 ZINC001109351052 1000295678 /nfs/dbraw/zinc/29/56/78/1000295678.db2.gz MJIUWPWMFRPHBF-NEWSRXKRSA-N 1 2 371.481 2.712 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000769541562 1000532840 /nfs/dbraw/zinc/53/28/40/1000532840.db2.gz BKSXEKZVCQNIRM-INIZCTEOSA-N 1 2 355.438 2.823 20 30 FFEDLO CCC[C@@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109592577 1000690915 /nfs/dbraw/zinc/69/09/15/1000690915.db2.gz WLFPKBHSUVDPMN-XGXHKWSGSA-N 1 2 359.445 2.734 20 30 FFEDLO CCC[C@@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109592577 1000690923 /nfs/dbraw/zinc/69/09/23/1000690923.db2.gz WLFPKBHSUVDPMN-XGXHKWSGSA-N 1 2 359.445 2.734 20 30 FFEDLO C#CC[N@@H+](CC(=O)Nc1nnc(-c2ccco2)o1)[C@H]1CCc2ccccc21 ZINC000746501494 1000781065 /nfs/dbraw/zinc/78/10/65/1000781065.db2.gz BVHZESYCVPTTSW-INIZCTEOSA-N 1 2 362.389 2.891 20 30 FFEDLO C#CC[N@H+](CC(=O)Nc1nnc(-c2ccco2)o1)[C@H]1CCc2ccccc21 ZINC000746501494 1000781067 /nfs/dbraw/zinc/78/10/67/1000781067.db2.gz BVHZESYCVPTTSW-INIZCTEOSA-N 1 2 362.389 2.891 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc(-n4cncn4)c(F)c3)CCO2)c1 ZINC000770386214 1000783978 /nfs/dbraw/zinc/78/39/78/1000783978.db2.gz TVXPBQYLTOTVNU-HXUWFJFHSA-N 1 2 363.396 2.852 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc(-n4cncn4)c(F)c3)CCO2)c1 ZINC000770386214 1000783986 /nfs/dbraw/zinc/78/39/86/1000783986.db2.gz TVXPBQYLTOTVNU-HXUWFJFHSA-N 1 2 363.396 2.852 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001109769527 1000975564 /nfs/dbraw/zinc/97/55/64/1000975564.db2.gz HOGIJAFOWCBQLH-QYZOEREBSA-N 1 2 369.509 2.973 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001109769527 1000975571 /nfs/dbraw/zinc/97/55/71/1000975571.db2.gz HOGIJAFOWCBQLH-QYZOEREBSA-N 1 2 369.509 2.973 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(=O)CC1CCCC1)C2 ZINC001109840230 1001059250 /nfs/dbraw/zinc/05/92/50/1001059250.db2.gz MDTHFWUGQCSQCI-ORQFMDKSSA-N 1 2 367.921 2.545 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(=O)CC1CCCC1)C2 ZINC001109840230 1001059257 /nfs/dbraw/zinc/05/92/57/1001059257.db2.gz MDTHFWUGQCSQCI-ORQFMDKSSA-N 1 2 367.921 2.545 20 30 FFEDLO C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1CCCNc1ccc(C#N)nc1 ZINC001091704560 1001107492 /nfs/dbraw/zinc/10/74/92/1001107492.db2.gz HHXCIGYFOLUZMY-VQIMIIECSA-N 1 2 366.469 2.669 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccn2)C3)cc1F ZINC001096729051 1016480644 /nfs/dbraw/zinc/48/06/44/1016480644.db2.gz LINUOFUGEMQPJN-LZQZEXGQSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccn2)C3)cc1F ZINC001096729051 1016480649 /nfs/dbraw/zinc/48/06/49/1016480649.db2.gz LINUOFUGEMQPJN-LZQZEXGQSA-N 1 2 350.397 2.628 20 30 FFEDLO C[C@@H](OC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000787716281 1001709561 /nfs/dbraw/zinc/70/95/61/1001709561.db2.gz MFKDXPKILMGWGR-AEFFLSMTSA-N 1 2 369.465 2.535 20 30 FFEDLO C[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000787716281 1001709563 /nfs/dbraw/zinc/70/95/63/1001709563.db2.gz MFKDXPKILMGWGR-AEFFLSMTSA-N 1 2 369.465 2.535 20 30 FFEDLO C=CCn1cc(C[NH2+]Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)nn1 ZINC001182471490 1001926228 /nfs/dbraw/zinc/92/62/28/1001926228.db2.gz YEQYCLIOQMWTNU-UHFFFAOYSA-N 1 2 352.394 2.801 20 30 FFEDLO C[C@H](C(=O)N1CC[NH+](CCOc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC001182792762 1002039202 /nfs/dbraw/zinc/03/92/02/1002039202.db2.gz URFSBKPPMTZINN-SFHVURJKSA-N 1 2 363.461 2.885 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4cn(C(C)C)nn4)C[C@@]3(C)C2)CC1 ZINC001091978701 1002240654 /nfs/dbraw/zinc/24/06/54/1002240654.db2.gz ALTUFSJZSXSCQG-NQIIRXRSSA-N 1 2 371.529 2.886 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4cn(C(C)C)nn4)C[C@@]3(C)C2)CC1 ZINC001091978701 1002240658 /nfs/dbraw/zinc/24/06/58/1002240658.db2.gz ALTUFSJZSXSCQG-NQIIRXRSSA-N 1 2 371.529 2.886 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@@H+]([C@H](C)c4nnc(C)[nH]4)C[C@@]3(C)C2)CC1 ZINC001091979167 1002242179 /nfs/dbraw/zinc/24/21/79/1002242179.db2.gz UEMOJISZXRWSFU-ZTQAJYAQSA-N 1 2 357.502 2.701 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@H+]([C@H](C)c4nnc(C)[nH]4)C[C@@]3(C)C2)CC1 ZINC001091979167 1002242188 /nfs/dbraw/zinc/24/21/88/1002242188.db2.gz UEMOJISZXRWSFU-ZTQAJYAQSA-N 1 2 357.502 2.701 20 30 FFEDLO C[C@@H](Oc1ccc(Oc2ccc(C#N)cc2F)cc1)C(=O)NC1C[NH+](C)C1 ZINC001183430683 1002271505 /nfs/dbraw/zinc/27/15/05/1002271505.db2.gz WSNDCKNEKIHMGP-CYBMUJFWSA-N 1 2 369.396 2.687 20 30 FFEDLO C[C@H]1C[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CC2(CCOCC2)O1 ZINC000790402251 1002373945 /nfs/dbraw/zinc/37/39/45/1002373945.db2.gz OESXTAMIMNGGEU-INIZCTEOSA-N 1 2 352.438 2.649 20 30 FFEDLO C[C@H]1C[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CC2(CCOCC2)O1 ZINC000790402251 1002373953 /nfs/dbraw/zinc/37/39/53/1002373953.db2.gz OESXTAMIMNGGEU-INIZCTEOSA-N 1 2 352.438 2.649 20 30 FFEDLO COC1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CC1 ZINC001183828841 1002401909 /nfs/dbraw/zinc/40/19/09/1002401909.db2.gz DHGUWACDFRHOOV-LJQANCHMSA-N 1 2 355.482 2.940 20 30 FFEDLO COC1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)CC1 ZINC001183828841 1002401916 /nfs/dbraw/zinc/40/19/16/1002401916.db2.gz DHGUWACDFRHOOV-LJQANCHMSA-N 1 2 355.482 2.940 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@](F)(CO)CC1 ZINC001183828729 1002402194 /nfs/dbraw/zinc/40/21/94/1002402194.db2.gz LRAATMDMTIDBPG-PZJWPPBQSA-N 1 2 373.472 2.626 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@](F)(CO)CC1 ZINC001183828729 1002402200 /nfs/dbraw/zinc/40/22/00/1002402200.db2.gz LRAATMDMTIDBPG-PZJWPPBQSA-N 1 2 373.472 2.626 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171373501 1002427678 /nfs/dbraw/zinc/42/76/78/1002427678.db2.gz YUSMQMZLQOFXTG-HNAYVOBHSA-N 1 2 374.435 2.753 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171373501 1002427684 /nfs/dbraw/zinc/42/76/84/1002427684.db2.gz YUSMQMZLQOFXTG-HNAYVOBHSA-N 1 2 374.435 2.753 20 30 FFEDLO N#Cc1c(F)cccc1N[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001096844875 1016626740 /nfs/dbraw/zinc/62/67/40/1016626740.db2.gz JXCVKUVUMFWOTC-PBFPGSCMSA-N 1 2 353.401 2.531 20 30 FFEDLO N#Cc1c(F)cccc1N[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001096844875 1016626747 /nfs/dbraw/zinc/62/67/47/1016626747.db2.gz JXCVKUVUMFWOTC-PBFPGSCMSA-N 1 2 353.401 2.531 20 30 FFEDLO C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001086597120 1002646206 /nfs/dbraw/zinc/64/62/06/1002646206.db2.gz ODSFNEWDXQPLIO-PKOBYXMFSA-N 1 2 350.466 2.672 20 30 FFEDLO C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001086597120 1002646210 /nfs/dbraw/zinc/64/62/10/1002646210.db2.gz ODSFNEWDXQPLIO-PKOBYXMFSA-N 1 2 350.466 2.672 20 30 FFEDLO N#Cc1c(Cl)cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)nc1Cl ZINC001184817966 1002728223 /nfs/dbraw/zinc/72/82/23/1002728223.db2.gz HOVIFMALUQAVSX-SNVBAGLBSA-N 1 2 362.220 2.664 20 30 FFEDLO C#CCC1(C(=O)NC[C@@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]2C)CCC1 ZINC001092415741 1002881695 /nfs/dbraw/zinc/88/16/95/1002881695.db2.gz DIHNISYVFGZURX-RDTXWAMCSA-N 1 2 354.498 2.784 20 30 FFEDLO Cc1ccc2c(c1)CC[N@@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3c(=O)[nH]1)C2 ZINC000792312997 1002976839 /nfs/dbraw/zinc/97/68/39/1002976839.db2.gz RZEDOCCARSNXSV-GOSISDBHSA-N 1 2 372.428 2.878 20 30 FFEDLO Cc1ccc2c(c1)CC[N@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3c(=O)[nH]1)C2 ZINC000792312997 1002976846 /nfs/dbraw/zinc/97/68/46/1002976846.db2.gz RZEDOCCARSNXSV-GOSISDBHSA-N 1 2 372.428 2.878 20 30 FFEDLO COc1ccc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000747067637 1002979879 /nfs/dbraw/zinc/97/98/79/1002979879.db2.gz CDRYPNGINBREGE-HXUWFJFHSA-N 1 2 366.417 2.511 20 30 FFEDLO COc1ccc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000747067637 1002979891 /nfs/dbraw/zinc/97/98/91/1002979891.db2.gz CDRYPNGINBREGE-HXUWFJFHSA-N 1 2 366.417 2.511 20 30 FFEDLO CC[C@H](C)N1C[C@@]2(F)C[N@H+](CCCc3ccc(C#N)cc3)C[C@@]2(F)C1=O ZINC001276280725 1016704129 /nfs/dbraw/zinc/70/41/29/1016704129.db2.gz QASXCDLZXFEILQ-RYGJVYDSSA-N 1 2 361.436 2.864 20 30 FFEDLO CC[C@H](C)N1C[C@@]2(F)C[N@@H+](CCCc3ccc(C#N)cc3)C[C@@]2(F)C1=O ZINC001276280725 1016704137 /nfs/dbraw/zinc/70/41/37/1016704137.db2.gz QASXCDLZXFEILQ-RYGJVYDSSA-N 1 2 361.436 2.864 20 30 FFEDLO N#Cc1ccc(CNc2ccc(I)c(N)[nH+]2)s1 ZINC001170200166 1003060108 /nfs/dbraw/zinc/06/01/08/1003060108.db2.gz XZQKUSGJMYOIRJ-UHFFFAOYSA-N 1 2 356.192 2.814 20 30 FFEDLO CSCCC(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001186771578 1003419761 /nfs/dbraw/zinc/41/97/61/1003419761.db2.gz RMWUVLXWVJHKOC-FUHWJXTLSA-N 1 2 362.926 2.977 20 30 FFEDLO CSCCC(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001186771578 1003419772 /nfs/dbraw/zinc/41/97/72/1003419772.db2.gz RMWUVLXWVJHKOC-FUHWJXTLSA-N 1 2 362.926 2.977 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC(F)(F)C2)C3)c1 ZINC001096940255 1016769278 /nfs/dbraw/zinc/76/92/78/1016769278.db2.gz XGZHFVCRDBUXIL-OIISXLGYSA-N 1 2 363.383 2.964 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC(F)(F)C2)C3)c1 ZINC001096940255 1016769295 /nfs/dbraw/zinc/76/92/95/1016769295.db2.gz XGZHFVCRDBUXIL-OIISXLGYSA-N 1 2 363.383 2.964 20 30 FFEDLO Cc1cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)nc(C(C)C)[nH+]1 ZINC001054957715 1016775699 /nfs/dbraw/zinc/77/56/99/1016775699.db2.gz DZHASYJQBQIVHM-VYDXJSESSA-N 1 2 364.453 2.648 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2cncs2)C3)ccc1F ZINC001095576693 1016785718 /nfs/dbraw/zinc/78/57/18/1016785718.db2.gz CJIIOXSOQAIUIS-JLSDUUJJSA-N 1 2 370.453 2.618 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2cncs2)C3)ccc1F ZINC001095576693 1016785731 /nfs/dbraw/zinc/78/57/31/1016785731.db2.gz CJIIOXSOQAIUIS-JLSDUUJJSA-N 1 2 370.453 2.618 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001092806547 1003556564 /nfs/dbraw/zinc/55/65/64/1003556564.db2.gz SFLZGEMGMFXRCJ-YVSFHVDLSA-N 1 2 358.486 2.555 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CCCCCCCCC)[C@@H](n2ccnn2)C1 ZINC001129404357 1003642064 /nfs/dbraw/zinc/64/20/64/1003642064.db2.gz UKEDJMXNTGPHNQ-MOPGFXCFSA-N 1 2 359.518 2.784 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CCCCCCCCC)[C@@H](n2ccnn2)C1 ZINC001129404357 1003642070 /nfs/dbraw/zinc/64/20/70/1003642070.db2.gz UKEDJMXNTGPHNQ-MOPGFXCFSA-N 1 2 359.518 2.784 20 30 FFEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3nn(C)cc3Cl)C[C@H]2C)cc1 ZINC001092876831 1003654106 /nfs/dbraw/zinc/65/41/06/1003654106.db2.gz NPEKSKGXJCDKQP-RHSMWYFYSA-N 1 2 370.884 2.553 20 30 FFEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3nn(C)cc3Cl)C[C@H]2C)cc1 ZINC001092876831 1003654110 /nfs/dbraw/zinc/65/41/10/1003654110.db2.gz NPEKSKGXJCDKQP-RHSMWYFYSA-N 1 2 370.884 2.553 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3c2cc(F)cc3F)C[C@H]1O ZINC001196475669 1003781324 /nfs/dbraw/zinc/78/13/24/1003781324.db2.gz ZHRWCYPPAQFJPL-FGTMMUONSA-N 1 2 364.436 2.716 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCc3c2cc(F)cc3F)C[C@H]1O ZINC001196475669 1003781332 /nfs/dbraw/zinc/78/13/32/1003781332.db2.gz ZHRWCYPPAQFJPL-FGTMMUONSA-N 1 2 364.436 2.716 20 30 FFEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1 ZINC001196452775 1003789397 /nfs/dbraw/zinc/78/93/97/1003789397.db2.gz PBWDUQNSFRZIHU-UHFFFAOYSA-N 1 2 363.870 2.759 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3cccc(F)c3C#N)C2)CC1 ZINC000804834939 1003872219 /nfs/dbraw/zinc/87/22/19/1003872219.db2.gz PKVQFZKISLIDTH-HNNXBMFYSA-N 1 2 374.460 2.829 20 30 FFEDLO CC(C)(C)CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001191793228 1003956109 /nfs/dbraw/zinc/95/61/09/1003956109.db2.gz GUYQUISEUIVQTR-RTBURBONSA-N 1 2 360.473 2.555 20 30 FFEDLO CC(C)(C)CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001191793228 1003956114 /nfs/dbraw/zinc/95/61/14/1003956114.db2.gz GUYQUISEUIVQTR-RTBURBONSA-N 1 2 360.473 2.555 20 30 FFEDLO CC(C)(C)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001191794503 1003957192 /nfs/dbraw/zinc/95/71/92/1003957192.db2.gz YURRPDSZCXTXSJ-QZTJIDSGSA-N 1 2 361.461 2.575 20 30 FFEDLO CC(C)(C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001191794503 1003957204 /nfs/dbraw/zinc/95/72/04/1003957204.db2.gz YURRPDSZCXTXSJ-QZTJIDSGSA-N 1 2 361.461 2.575 20 30 FFEDLO Cc1nc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC#Cc2ccccc2)C3)oc1C ZINC001111441270 1016861794 /nfs/dbraw/zinc/86/17/94/1016861794.db2.gz FMUDKFKTVLYIDZ-AQNXPRMDSA-N 1 2 363.461 2.955 20 30 FFEDLO Cc1nc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC#Cc2ccccc2)C3)oc1C ZINC001111441270 1016861807 /nfs/dbraw/zinc/86/18/07/1016861807.db2.gz FMUDKFKTVLYIDZ-AQNXPRMDSA-N 1 2 363.461 2.955 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(C(F)(F)F)nc1 ZINC001110494828 1004317528 /nfs/dbraw/zinc/31/75/28/1004317528.db2.gz ZDWMUAVSFUQTAD-KFWWJZLASA-N 1 2 366.387 2.520 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(C(F)(F)F)nc1 ZINC001110494828 1004317536 /nfs/dbraw/zinc/31/75/36/1004317536.db2.gz ZDWMUAVSFUQTAD-KFWWJZLASA-N 1 2 366.387 2.520 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1nc(-c2ccco2)no1 ZINC001110497495 1004418409 /nfs/dbraw/zinc/41/84/09/1004418409.db2.gz WZOLPUPTMCOAAG-FPCVCCKLSA-N 1 2 368.437 2.916 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1nc(-c2ccco2)no1 ZINC001110497495 1004418415 /nfs/dbraw/zinc/41/84/15/1004418415.db2.gz WZOLPUPTMCOAAG-FPCVCCKLSA-N 1 2 368.437 2.916 20 30 FFEDLO CC[C@@H](C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110456258 1004419621 /nfs/dbraw/zinc/41/96/21/1004419621.db2.gz VFZAUDAPNIINDJ-XLNTUCKNSA-N 1 2 358.457 2.714 20 30 FFEDLO CC[C@@H](C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110456258 1004419625 /nfs/dbraw/zinc/41/96/25/1004419625.db2.gz VFZAUDAPNIINDJ-XLNTUCKNSA-N 1 2 358.457 2.714 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001193337094 1004454846 /nfs/dbraw/zinc/45/48/46/1004454846.db2.gz IVFHNUNDHPUXKB-HZPDHXFCSA-N 1 2 370.415 2.969 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001193337094 1004454851 /nfs/dbraw/zinc/45/48/51/1004454851.db2.gz IVFHNUNDHPUXKB-HZPDHXFCSA-N 1 2 370.415 2.969 20 30 FFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 ZINC001193920349 1004615706 /nfs/dbraw/zinc/61/57/06/1004615706.db2.gz MEQVTHWKOWMQQG-QWHCGFSZSA-N 1 2 362.495 2.942 20 30 FFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 ZINC001193920349 1004615710 /nfs/dbraw/zinc/61/57/10/1004615710.db2.gz MEQVTHWKOWMQQG-QWHCGFSZSA-N 1 2 362.495 2.942 20 30 FFEDLO C=C(C)C[N@H+](CCS(=O)(=O)CC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001194051514 1004640918 /nfs/dbraw/zinc/64/09/18/1004640918.db2.gz FOGJFWSCKJVZBN-UHFFFAOYSA-N 1 2 367.511 2.821 20 30 FFEDLO C=C(C)C[N@@H+](CCS(=O)(=O)CC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001194051514 1004640920 /nfs/dbraw/zinc/64/09/20/1004640920.db2.gz FOGJFWSCKJVZBN-UHFFFAOYSA-N 1 2 367.511 2.821 20 30 FFEDLO C[NH+]1CCN(c2ccc(C(=O)Nc3ccc(O)c(C#N)c3)cc2Cl)CC1 ZINC001194692689 1004793301 /nfs/dbraw/zinc/79/33/01/1004793301.db2.gz LKGXNYLAMHIRRC-UHFFFAOYSA-N 1 2 370.840 2.921 20 30 FFEDLO COC(=O)c1cc(C#N)cc(NC(=O)c2cccc(-c3c[nH+]cn3C)c2)c1 ZINC001194906328 1004841686 /nfs/dbraw/zinc/84/16/86/1004841686.db2.gz CTPKLKCQSCPPMO-UHFFFAOYSA-N 1 2 360.373 2.998 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)Nc1ccccc1 ZINC001110464045 1004855218 /nfs/dbraw/zinc/85/52/18/1004855218.db2.gz FTIGMJDMMQNHNS-AFYVEPGGSA-N 1 2 367.493 2.929 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)Nc1ccccc1 ZINC001110464045 1004855225 /nfs/dbraw/zinc/85/52/25/1004855225.db2.gz FTIGMJDMMQNHNS-AFYVEPGGSA-N 1 2 367.493 2.929 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110531747 1004921586 /nfs/dbraw/zinc/92/15/86/1004921586.db2.gz MFODBHXUDRWXEQ-OWYHZJEWSA-N 1 2 367.493 2.785 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110531747 1004921591 /nfs/dbraw/zinc/92/15/91/1004921591.db2.gz MFODBHXUDRWXEQ-OWYHZJEWSA-N 1 2 367.493 2.785 20 30 FFEDLO C[NH+](C)[C@H](CNC(=O)c1cnc(C#N)cn1)c1ccc(Cl)cc1Cl ZINC001199669007 1005002285 /nfs/dbraw/zinc/00/22/85/1005002285.db2.gz GPSGWCQUSOKFEH-OAHLLOKOSA-N 1 2 364.236 2.688 20 30 FFEDLO C[N@@H+](Cc1nc(-c2ccccc2F)no1)C[C@H](O)c1cccc(C#N)c1 ZINC001195876018 1005066578 /nfs/dbraw/zinc/06/65/78/1005066578.db2.gz DWQVKNIEKFSEFC-KRWDZBQOSA-N 1 2 352.369 2.913 20 30 FFEDLO C[N@H+](Cc1nc(-c2ccccc2F)no1)C[C@H](O)c1cccc(C#N)c1 ZINC001195876018 1005066582 /nfs/dbraw/zinc/06/65/82/1005066582.db2.gz DWQVKNIEKFSEFC-KRWDZBQOSA-N 1 2 352.369 2.913 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3nc4ccccc4o3)C[C@H]2O)CC1 ZINC001195905907 1005071281 /nfs/dbraw/zinc/07/12/81/1005071281.db2.gz FOCUOJXZBFYQIE-USXIJHARSA-N 1 2 369.465 2.797 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3nc4ccccc4o3)C[C@H]2O)CC1 ZINC001195905907 1005071288 /nfs/dbraw/zinc/07/12/88/1005071288.db2.gz FOCUOJXZBFYQIE-USXIJHARSA-N 1 2 369.465 2.797 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1Cl ZINC001110546181 1005072592 /nfs/dbraw/zinc/07/25/92/1005072592.db2.gz PGBCXNIFUVJWAN-XFHKCVFHSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1Cl ZINC001110546181 1005072596 /nfs/dbraw/zinc/07/25/96/1005072596.db2.gz PGBCXNIFUVJWAN-XFHKCVFHSA-N 1 2 364.848 2.739 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2Cl)C[C@H]1O ZINC001195924412 1005074781 /nfs/dbraw/zinc/07/47/81/1005074781.db2.gz VJMZXOMFWXYWPS-SPYBWZPUSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2Cl)C[C@H]1O ZINC001195924412 1005074787 /nfs/dbraw/zinc/07/47/87/1005074787.db2.gz VJMZXOMFWXYWPS-SPYBWZPUSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C)n(C)n1 ZINC001110559585 1005156682 /nfs/dbraw/zinc/15/66/82/1005156682.db2.gz DYGCSVPYKYJYCY-AQNXPRMDSA-N 1 2 374.529 2.713 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C)n(C)n1 ZINC001110559585 1005156686 /nfs/dbraw/zinc/15/66/86/1005156686.db2.gz DYGCSVPYKYJYCY-AQNXPRMDSA-N 1 2 374.529 2.713 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]Cc2cnon2)cc1 ZINC001050261801 1016944766 /nfs/dbraw/zinc/94/47/66/1016944766.db2.gz MNUPYSMUQZNHOK-KYNGSXCRSA-N 1 2 370.453 2.518 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C4CC4)nn3C)CC[C@@H]2C1 ZINC001489201581 1005430605 /nfs/dbraw/zinc/43/06/05/1005430605.db2.gz VKKFBUMODBHHPD-SJORKVTESA-N 1 2 371.529 2.575 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C4CC4)nn3C)CC[C@@H]2C1 ZINC001489201581 1005430606 /nfs/dbraw/zinc/43/06/06/1005430606.db2.gz VKKFBUMODBHHPD-SJORKVTESA-N 1 2 371.529 2.575 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2ccco2)[C@H]1C ZINC001489295340 1005452175 /nfs/dbraw/zinc/45/21/75/1005452175.db2.gz QZHGMOLMCRZPLP-LNSITVRQSA-N 1 2 355.276 2.946 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2ccco2)[C@H]1C ZINC001489295340 1005452176 /nfs/dbraw/zinc/45/21/76/1005452176.db2.gz QZHGMOLMCRZPLP-LNSITVRQSA-N 1 2 355.276 2.946 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001489697422 1005548482 /nfs/dbraw/zinc/54/84/82/1005548482.db2.gz KDKYXWBWYOTYOU-HZPDHXFCSA-N 1 2 354.454 2.932 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001489880839 1005557003 /nfs/dbraw/zinc/55/70/03/1005557003.db2.gz JDYDLMDCNFYNHY-OWCLPIDISA-N 1 2 360.502 2.592 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001489880839 1005557005 /nfs/dbraw/zinc/55/70/05/1005557005.db2.gz JDYDLMDCNFYNHY-OWCLPIDISA-N 1 2 360.502 2.592 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001489890119 1005562331 /nfs/dbraw/zinc/56/23/31/1005562331.db2.gz WXTYHSFTWKMCMS-GCKMJXCFSA-N 1 2 368.481 2.951 20 30 FFEDLO N#CCOc1cccc(CC(=O)OCC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000851400373 1005880417 /nfs/dbraw/zinc/88/04/17/1005880417.db2.gz AJUOLVZATNYENJ-UHFFFAOYSA-N 1 2 365.433 2.986 20 30 FFEDLO COC[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001187304909 1006027286 /nfs/dbraw/zinc/02/72/86/1006027286.db2.gz PJABKWBBOIYSNA-HHXXYDBFSA-N 1 2 360.885 2.507 20 30 FFEDLO COC[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001187304909 1006027298 /nfs/dbraw/zinc/02/72/98/1006027298.db2.gz PJABKWBBOIYSNA-HHXXYDBFSA-N 1 2 360.885 2.507 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4ccoc4)no3)C[C@H]21 ZINC001187569694 1006157046 /nfs/dbraw/zinc/15/70/46/1006157046.db2.gz WWUKVBGURJUMQP-DOTOQJQBSA-N 1 2 368.437 2.556 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4ccoc4)no3)C[C@H]21 ZINC001187569694 1006157059 /nfs/dbraw/zinc/15/70/59/1006157059.db2.gz WWUKVBGURJUMQP-DOTOQJQBSA-N 1 2 368.437 2.556 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](Cc3cc(-c4ccco4)on3)C[C@H]21 ZINC001187841098 1006268737 /nfs/dbraw/zinc/26/87/37/1006268737.db2.gz SRFXBQWXVNVRDG-DOTOQJQBSA-N 1 2 353.422 2.627 20 30 FFEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(-c4ccco4)on3)C[C@H]21 ZINC001187841098 1006268747 /nfs/dbraw/zinc/26/87/47/1006268747.db2.gz SRFXBQWXVNVRDG-DOTOQJQBSA-N 1 2 353.422 2.627 20 30 FFEDLO Cc1oc(-c2ccco2)nc1C[N@H+]1C[C@@H]2CCN(C(=O)C#CC(C)C)[C@@H]2C1 ZINC001187848964 1006273442 /nfs/dbraw/zinc/27/34/42/1006273442.db2.gz GOGCJSFOQAYMGY-FUHWJXTLSA-N 1 2 367.449 2.935 20 30 FFEDLO Cc1oc(-c2ccco2)nc1C[N@@H+]1C[C@@H]2CCN(C(=O)C#CC(C)C)[C@@H]2C1 ZINC001187848964 1006273454 /nfs/dbraw/zinc/27/34/54/1006273454.db2.gz GOGCJSFOQAYMGY-FUHWJXTLSA-N 1 2 367.449 2.935 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000814664851 1006399394 /nfs/dbraw/zinc/39/93/94/1006399394.db2.gz HFGDJIZNIMLUKS-OAHLLOKOSA-N 1 2 357.454 2.941 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000814664851 1006399406 /nfs/dbraw/zinc/39/94/06/1006399406.db2.gz HFGDJIZNIMLUKS-OAHLLOKOSA-N 1 2 357.454 2.941 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(CC)o3)C[C@H]21)OCC ZINC001188095874 1006408824 /nfs/dbraw/zinc/40/88/24/1006408824.db2.gz VCEJZTCYBGZWQL-CGTJXYLNSA-N 1 2 361.486 2.641 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(CC)o3)C[C@H]21)OCC ZINC001188095874 1006408832 /nfs/dbraw/zinc/40/88/32/1006408832.db2.gz VCEJZTCYBGZWQL-CGTJXYLNSA-N 1 2 361.486 2.641 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3csc(C)n3)C[C@H]21)OCC ZINC001188107232 1006415898 /nfs/dbraw/zinc/41/58/98/1006415898.db2.gz LKFBBYPMUQYXKA-JQHSSLGASA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]21)OCC ZINC001188107232 1006415905 /nfs/dbraw/zinc/41/59/05/1006415905.db2.gz LKFBBYPMUQYXKA-JQHSSLGASA-N 1 2 363.527 2.856 20 30 FFEDLO Cc1ccc(N2CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)C2)cc1C ZINC000747972326 1006420923 /nfs/dbraw/zinc/42/09/23/1006420923.db2.gz YDVPDGZKQSTYJF-WIYYLYMNSA-N 1 2 356.514 2.868 20 30 FFEDLO Cc1ccc(N2CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)C2)cc1C ZINC000747972326 1006420927 /nfs/dbraw/zinc/42/09/27/1006420927.db2.gz YDVPDGZKQSTYJF-WIYYLYMNSA-N 1 2 356.514 2.868 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)cn1 ZINC001095721929 1017053916 /nfs/dbraw/zinc/05/39/16/1017053916.db2.gz HGMGZGJCPIXUCH-COXVUDFISA-N 1 2 368.462 2.559 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)cn1 ZINC001095721929 1017053930 /nfs/dbraw/zinc/05/39/30/1017053930.db2.gz HGMGZGJCPIXUCH-COXVUDFISA-N 1 2 368.462 2.559 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)CC(F)F)[C@@H]2C1 ZINC001188593713 1006641914 /nfs/dbraw/zinc/64/19/14/1006641914.db2.gz HYKWAJFADWHOID-ADEWGFFLSA-N 1 2 351.235 2.719 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)CC(F)F)[C@@H]2C1 ZINC001188593713 1006641917 /nfs/dbraw/zinc/64/19/17/1006641917.db2.gz HYKWAJFADWHOID-ADEWGFFLSA-N 1 2 351.235 2.719 20 30 FFEDLO N#CCc1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC001116192130 1032182298 /nfs/dbraw/zinc/18/22/98/1032182298.db2.gz XNAADEJVYHXDKX-UHFFFAOYSA-N 1 2 356.382 2.878 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 ZINC000884076185 1007218759 /nfs/dbraw/zinc/21/87/59/1007218759.db2.gz UHAHJTMMWYRFAX-APWZRJJASA-N 1 2 366.461 2.770 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000884122786 1007255717 /nfs/dbraw/zinc/25/57/17/1007255717.db2.gz ZIURZGRYWAFMMS-GJZGRUSLSA-N 1 2 370.371 2.816 20 30 FFEDLO C[C@H]([NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1)c1cccc(C#N)c1 ZINC000775338037 1007403227 /nfs/dbraw/zinc/40/32/27/1007403227.db2.gz NTJOANJXCCZMTQ-LBPRGKRZSA-N 1 2 370.363 2.986 20 30 FFEDLO Cc1cc(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cc(C)[nH+]1 ZINC000819575964 1008179255 /nfs/dbraw/zinc/17/92/55/1008179255.db2.gz KCLBYWQVLNMRJC-INIZCTEOSA-N 1 2 360.458 2.902 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2F)C[C@H]1C ZINC001206485304 1032306664 /nfs/dbraw/zinc/30/66/64/1032306664.db2.gz HNTCCYWAECJWHV-CKEIUWERSA-N 1 2 352.425 2.883 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(F)c2F)C[C@H]1C ZINC001206485304 1032306667 /nfs/dbraw/zinc/30/66/67/1032306667.db2.gz HNTCCYWAECJWHV-CKEIUWERSA-N 1 2 352.425 2.883 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2c(F)cccc2F)C[C@H]1C ZINC001206484944 1032306894 /nfs/dbraw/zinc/30/68/94/1032306894.db2.gz BHCWYUYRTBHBCR-QWQRMKEZSA-N 1 2 352.425 2.883 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2c(F)cccc2F)C[C@H]1C ZINC001206484944 1032306909 /nfs/dbraw/zinc/30/69/09/1032306909.db2.gz BHCWYUYRTBHBCR-QWQRMKEZSA-N 1 2 352.425 2.883 20 30 FFEDLO C=CCOc1ccc(C[NH2+]C(c2ccnn2C)c2ccnn2C)cc1OC ZINC000858321647 1008345702 /nfs/dbraw/zinc/34/57/02/1008345702.db2.gz KRJGGXAOBRFVSB-UHFFFAOYSA-N 1 2 367.453 2.606 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCCCC)CCCC1 ZINC001110212828 1008703682 /nfs/dbraw/zinc/70/36/82/1008703682.db2.gz QTEHKIUOUUCNJQ-SQNIBIBYSA-N 1 2 361.530 2.761 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCCCC)CCCC1 ZINC001110212828 1008703694 /nfs/dbraw/zinc/70/36/94/1008703694.db2.gz QTEHKIUOUUCNJQ-SQNIBIBYSA-N 1 2 361.530 2.761 20 30 FFEDLO CCOC(=O)[C@@H]1CCCc2sc(NC(=O)CCc3[nH]cc[nH+]3)c(C#N)c21 ZINC001177994312 1008837860 /nfs/dbraw/zinc/83/78/60/1008837860.db2.gz VEBSGPBMHAWHNH-LLVKDONJSA-N 1 2 372.450 2.897 20 30 FFEDLO C[C@H]1CN(S(=O)(=O)c2ccc(CCC#N)cc2)c2cc(F)ccc2C[NH2+]1 ZINC000886886272 1008912080 /nfs/dbraw/zinc/91/20/80/1008912080.db2.gz BWKQTONZDITJSH-AWEZNQCLSA-N 1 2 373.453 2.969 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001090686022 1009048531 /nfs/dbraw/zinc/04/85/31/1009048531.db2.gz MDPKVGPFYUFMKX-NVXWUHKLSA-N 1 2 360.502 2.832 20 30 FFEDLO Cc1ccc(-c2nc(C[N@@H+]3C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C3)cs2)o1 ZINC001206662341 1032377290 /nfs/dbraw/zinc/37/72/90/1032377290.db2.gz HJIDWPCJJYUAGN-LALPHHSUSA-N 1 2 358.467 2.808 20 30 FFEDLO Cc1ccc(-c2nc(C[N@H+]3C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C3)cs2)o1 ZINC001206662341 1032377302 /nfs/dbraw/zinc/37/73/02/1032377302.db2.gz HJIDWPCJJYUAGN-LALPHHSUSA-N 1 2 358.467 2.808 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1CN(c2nc(C)[nH+]c3c2CCCC3)C[C@H]1C ZINC001090692124 1009102597 /nfs/dbraw/zinc/10/25/97/1009102597.db2.gz KGGMWEABJFPNKW-DNVCBOLYSA-N 1 2 354.498 2.798 20 30 FFEDLO COC(=O)c1cc(C#N)ccc1-c1ccc(C[NH+]2CCOCC2)cc1F ZINC001206703665 1032395215 /nfs/dbraw/zinc/39/52/15/1032395215.db2.gz ORPNBVPTIKOLIZ-UHFFFAOYSA-N 1 2 354.381 2.983 20 30 FFEDLO COC(=O)c1ccc(C#N)cc1-c1ccc(C[NH+]2CCOCC2)cc1F ZINC001206733874 1032403850 /nfs/dbraw/zinc/40/38/50/1032403850.db2.gz GEELPGUWEHLXHQ-UHFFFAOYSA-N 1 2 354.381 2.983 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C)C2 ZINC001110238800 1009816942 /nfs/dbraw/zinc/81/69/42/1009816942.db2.gz CTAHRZOHANTMLF-ZACQAIPSSA-N 1 2 373.522 2.592 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C)C2 ZINC001110238800 1009816958 /nfs/dbraw/zinc/81/69/58/1009816958.db2.gz CTAHRZOHANTMLF-ZACQAIPSSA-N 1 2 373.522 2.592 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(Nc2cc[nH+]c(C)n2)CCCCC1 ZINC001093410782 1010242617 /nfs/dbraw/zinc/24/26/17/1010242617.db2.gz AWMFKQCSHYVUBJ-WMZOPIPTSA-N 1 2 358.486 2.997 20 30 FFEDLO N#CCOc1cc(F)ccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000120142250 1010526934 /nfs/dbraw/zinc/52/69/34/1010526934.db2.gz HWMHCDNQFIIJKG-IBGZPJMESA-N 1 2 369.396 2.568 20 30 FFEDLO N#CCOc1cc(F)ccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000120142250 1010526942 /nfs/dbraw/zinc/52/69/42/1010526942.db2.gz HWMHCDNQFIIJKG-IBGZPJMESA-N 1 2 369.396 2.568 20 30 FFEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1=S ZINC000794712442 1010564783 /nfs/dbraw/zinc/56/47/83/1010564783.db2.gz LNWOUKQFVDFZKW-LJQANCHMSA-N 1 2 371.510 2.730 20 30 FFEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c1=S ZINC000794712442 1010564788 /nfs/dbraw/zinc/56/47/88/1010564788.db2.gz LNWOUKQFVDFZKW-LJQANCHMSA-N 1 2 371.510 2.730 20 30 FFEDLO C[C@H](ON=C(N)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C#N)cc1 ZINC000794720636 1010567117 /nfs/dbraw/zinc/56/71/17/1010567117.db2.gz MOBDCLDSSXMHRP-INIZCTEOSA-N 1 2 364.449 2.789 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)[C@H]1CCCCO1 ZINC001095321678 1010812770 /nfs/dbraw/zinc/81/27/70/1010812770.db2.gz JDIYOGBRVRMKLS-FUMNGEBKSA-N 1 2 372.896 2.982 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)[C@H]1CCCCO1 ZINC001095321678 1010812775 /nfs/dbraw/zinc/81/27/75/1010812775.db2.gz JDIYOGBRVRMKLS-FUMNGEBKSA-N 1 2 372.896 2.982 20 30 FFEDLO CCc1cc(N2CCC([NH2+][C@@H](C)c3cccc(C#N)c3O)CC2)ncn1 ZINC000866279117 1010968653 /nfs/dbraw/zinc/96/86/53/1010968653.db2.gz JIFGTDLAJXMITR-AWEZNQCLSA-N 1 2 351.454 2.936 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](OC)c1cccc(OC)c1)C2 ZINC001110864797 1011273018 /nfs/dbraw/zinc/27/30/18/1011273018.db2.gz NXNSCZUXJPIZHJ-BGTYHANMSA-N 1 2 364.873 2.857 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](OC)c1cccc(OC)c1)C2 ZINC001110864797 1011273030 /nfs/dbraw/zinc/27/30/30/1011273030.db2.gz NXNSCZUXJPIZHJ-BGTYHANMSA-N 1 2 364.873 2.857 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F)C1CCC1 ZINC001110868407 1011285073 /nfs/dbraw/zinc/28/50/73/1011285073.db2.gz FRISWAIRSPKFSM-RSPOEFSDSA-N 1 2 371.456 2.734 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F)C1CCC1 ZINC001110868407 1011285086 /nfs/dbraw/zinc/28/50/86/1011285086.db2.gz FRISWAIRSPKFSM-RSPOEFSDSA-N 1 2 371.456 2.734 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C1CCC1 ZINC001110869023 1011286424 /nfs/dbraw/zinc/28/64/24/1011286424.db2.gz ZQXLTIRKKJOXRK-YSTOQKLRSA-N 1 2 353.466 2.595 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C1CCC1 ZINC001110869023 1011286439 /nfs/dbraw/zinc/28/64/39/1011286439.db2.gz ZQXLTIRKKJOXRK-YSTOQKLRSA-N 1 2 353.466 2.595 20 30 FFEDLO CCCCCC#CC(=O)N1CCCC2(C[NH+](Cc3cc(C)nn3C)C2)C1 ZINC001274438719 1011443268 /nfs/dbraw/zinc/44/32/68/1011443268.db2.gz FTNKCPFNWDOKPB-UHFFFAOYSA-N 1 2 356.514 2.737 20 30 FFEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1)C(=O)OCC ZINC001171876468 1011494859 /nfs/dbraw/zinc/49/48/59/1011494859.db2.gz BYQRLDNQVQQJDZ-DBXWQHBBSA-N 1 2 356.466 2.779 20 30 FFEDLO C[NH+]1CCN(c2ccc(-c3noc(-c4ccc(O)c(C#N)c4)n3)cc2)CC1 ZINC001216969455 1032575097 /nfs/dbraw/zinc/57/50/97/1032575097.db2.gz FSIRPFIQCAQCHI-UHFFFAOYSA-N 1 2 361.405 2.733 20 30 FFEDLO C=C[C@H]1C[C@]1([NH2+]C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C)C(=O)OCC ZINC001172811949 1012033347 /nfs/dbraw/zinc/03/33/47/1012033347.db2.gz FNSBKLRYFKXGDU-NWEBGPFOSA-N 1 2 362.470 2.790 20 30 FFEDLO NC(=NOC/C=C\c1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000208082609 1012287875 /nfs/dbraw/zinc/28/78/75/1012287875.db2.gz KHXSLOPVYGALCW-DAXSKMNVSA-N 1 2 351.450 2.869 20 30 FFEDLO C=CCCCC[N@H+]1C[C@]2(F)CN(CCc3ccc(O)cc3)C(=O)[C@]2(F)C1 ZINC001276357608 1012508230 /nfs/dbraw/zinc/50/82/30/1012508230.db2.gz NYAZEYXCHKAOHV-VQTJNVASSA-N 1 2 364.436 2.865 20 30 FFEDLO C=CCCCC[N@@H+]1C[C@]2(F)CN(CCc3ccc(O)cc3)C(=O)[C@]2(F)C1 ZINC001276357608 1012508246 /nfs/dbraw/zinc/50/82/46/1012508246.db2.gz NYAZEYXCHKAOHV-VQTJNVASSA-N 1 2 364.436 2.865 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+](Cc3nc(C(F)(F)F)c[nH]3)CC2)C1=O ZINC001275495815 1012542431 /nfs/dbraw/zinc/54/24/31/1012542431.db2.gz OCIZYMRALXKIAE-MRXNPFEDSA-N 1 2 356.392 2.819 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+](Cc3nc(C(F)(F)F)c[nH]3)CC2)C1=O ZINC001275495815 1012542445 /nfs/dbraw/zinc/54/24/45/1012542445.db2.gz OCIZYMRALXKIAE-MRXNPFEDSA-N 1 2 356.392 2.819 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC001095149186 1012553771 /nfs/dbraw/zinc/55/37/71/1012553771.db2.gz PRZXFFPTNYHZNT-XWSJACJDSA-N 1 2 358.869 2.592 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC001095149186 1012553786 /nfs/dbraw/zinc/55/37/86/1012553786.db2.gz PRZXFFPTNYHZNT-XWSJACJDSA-N 1 2 358.869 2.592 20 30 FFEDLO Cc1nc2c(o1)CC[N@@H+](C1CCN(C(=O)c3ccc(C#N)cc3)CC1)C2 ZINC001173436729 1012555384 /nfs/dbraw/zinc/55/53/84/1012555384.db2.gz VOWQEAWMUSDLGJ-UHFFFAOYSA-N 1 2 350.422 2.518 20 30 FFEDLO Cc1nc2c(o1)CC[N@H+](C1CCN(C(=O)c3ccc(C#N)cc3)CC1)C2 ZINC001173436729 1012555403 /nfs/dbraw/zinc/55/54/03/1012555403.db2.gz VOWQEAWMUSDLGJ-UHFFFAOYSA-N 1 2 350.422 2.518 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095165805 1012584528 /nfs/dbraw/zinc/58/45/28/1012584528.db2.gz UYPQKZRUWADZTH-NJAFHUGGSA-N 1 2 368.412 2.838 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001095165805 1012584544 /nfs/dbraw/zinc/58/45/44/1012584544.db2.gz UYPQKZRUWADZTH-NJAFHUGGSA-N 1 2 368.412 2.838 20 30 FFEDLO Cn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001095183954 1012667122 /nfs/dbraw/zinc/66/71/22/1012667122.db2.gz YVXFGWYXEWGREN-NJAFHUGGSA-N 1 2 352.413 2.571 20 30 FFEDLO Cn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001095183954 1012667128 /nfs/dbraw/zinc/66/71/28/1012667128.db2.gz YVXFGWYXEWGREN-NJAFHUGGSA-N 1 2 352.413 2.571 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccc(Cl)c1Cl)C2 ZINC001275655038 1012766038 /nfs/dbraw/zinc/76/60/38/1012766038.db2.gz XNOHJPJJLRVFTL-SFHVURJKSA-N 1 2 367.276 2.678 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(Cl)c1Cl)C2 ZINC001275655038 1012766051 /nfs/dbraw/zinc/76/60/51/1012766051.db2.gz XNOHJPJJLRVFTL-SFHVURJKSA-N 1 2 367.276 2.678 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173597725 1012769354 /nfs/dbraw/zinc/76/93/54/1012769354.db2.gz FRBUOFDEDXCAFZ-XNDRKVBMSA-N 1 2 365.474 2.599 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173597725 1012769367 /nfs/dbraw/zinc/76/93/67/1012769367.db2.gz FRBUOFDEDXCAFZ-XNDRKVBMSA-N 1 2 365.474 2.599 20 30 FFEDLO CC(C)CCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001217265661 1032673631 /nfs/dbraw/zinc/67/36/31/1032673631.db2.gz SLLSXTWKUOJVFT-RBUKOAKNSA-N 1 2 359.445 2.545 20 30 FFEDLO CC(C)CCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001217265661 1032673633 /nfs/dbraw/zinc/67/36/33/1032673633.db2.gz SLLSXTWKUOJVFT-RBUKOAKNSA-N 1 2 359.445 2.545 20 30 FFEDLO Cn1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)cc1C1CC1 ZINC001097179179 1017154493 /nfs/dbraw/zinc/15/44/93/1017154493.db2.gz LTNULADZEXPYCI-SBHAEUEKSA-N 1 2 374.488 2.684 20 30 FFEDLO Cn1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)cc1C1CC1 ZINC001097179179 1017154502 /nfs/dbraw/zinc/15/45/02/1017154502.db2.gz LTNULADZEXPYCI-SBHAEUEKSA-N 1 2 374.488 2.684 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001055223396 1017178828 /nfs/dbraw/zinc/17/88/28/1017178828.db2.gz CUPOEKSEEZIEDS-BCYZHJNNSA-N 1 2 370.497 2.609 20 30 FFEDLO Cc1cc(C)c(C(=O)N[C@H]2CCN(c3ccc(C#N)c(C)n3)[C@@H]2C)c(C)[nH+]1 ZINC001051300720 1017275736 /nfs/dbraw/zinc/27/57/36/1017275736.db2.gz RDVKLFLNJOSSGB-AEFFLSMTSA-N 1 2 363.465 2.979 20 30 FFEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@]3(C)C[C@@H]3c3ccccc3)C2)CC1 ZINC001052096753 1017321337 /nfs/dbraw/zinc/32/13/37/1017321337.db2.gz OOEMNBSRVQQVIS-XJUOHMSHSA-N 1 2 367.537 2.975 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC(Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001052111342 1017322687 /nfs/dbraw/zinc/32/26/87/1017322687.db2.gz DHMGZJSWBZAQMP-SYNTWQANSA-N 1 2 370.497 2.950 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001055370831 1017367447 /nfs/dbraw/zinc/36/74/47/1017367447.db2.gz RECCMADRHGEKPU-AQNXPRMDSA-N 1 2 374.488 2.797 20 30 FFEDLO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cccc(C#N)c1O ZINC000924615512 1017374752 /nfs/dbraw/zinc/37/47/52/1017374752.db2.gz OMXSJVVHQBYZJO-SFHVURJKSA-N 1 2 352.438 2.736 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ccn2ccnc2c1 ZINC001097527593 1017599041 /nfs/dbraw/zinc/59/90/41/1017599041.db2.gz KILFSXJYWRWZCI-NJYVYQBISA-N 1 2 370.456 2.721 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ccn2ccnc2c1 ZINC001097527593 1017599051 /nfs/dbraw/zinc/59/90/51/1017599051.db2.gz KILFSXJYWRWZCI-NJYVYQBISA-N 1 2 370.456 2.721 20 30 FFEDLO CCOc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)on1 ZINC001097555674 1017612911 /nfs/dbraw/zinc/61/29/11/1017612911.db2.gz QRSDXGNNYYJLSN-DFBGVHRSSA-N 1 2 372.450 2.542 20 30 FFEDLO CCOc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)on1 ZINC001097555674 1017612919 /nfs/dbraw/zinc/61/29/19/1017612919.db2.gz QRSDXGNNYYJLSN-DFBGVHRSSA-N 1 2 372.450 2.542 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(F)c[nH]2)C3)cc1F ZINC001097560050 1017622149 /nfs/dbraw/zinc/62/21/49/1017622149.db2.gz CQJMYMTUARRIJP-KYJSFNMBSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(F)c[nH]2)C3)cc1F ZINC001097560050 1017622155 /nfs/dbraw/zinc/62/21/55/1017622155.db2.gz CQJMYMTUARRIJP-KYJSFNMBSA-N 1 2 356.376 2.700 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc2n(n1)CCC2 ZINC001110900594 1017675173 /nfs/dbraw/zinc/67/51/73/1017675173.db2.gz IMJHCCYAEPGKHI-RLLQIKCJSA-N 1 2 354.498 2.635 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc2n(n1)CCC2 ZINC001110900594 1017675181 /nfs/dbraw/zinc/67/51/81/1017675181.db2.gz IMJHCCYAEPGKHI-RLLQIKCJSA-N 1 2 354.498 2.635 20 30 FFEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000925590017 1017795335 /nfs/dbraw/zinc/79/53/35/1017795335.db2.gz MWKDTXMCRSRPCM-AABGKKOBSA-N 1 2 370.497 2.579 20 30 FFEDLO Cc1cc(NC[C@]23CCC[C@H]2CN(C(=O)[C@@H](C)C#N)C3)nc(C2CC2)[nH+]1 ZINC001055643793 1017809254 /nfs/dbraw/zinc/80/92/54/1017809254.db2.gz QZUMGEIVNZKYID-RISOHXOYSA-N 1 2 353.470 2.863 20 30 FFEDLO C=CCCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001222064383 1032725368 /nfs/dbraw/zinc/72/53/68/1032725368.db2.gz RKHDXMXOBVSJAY-RDTXWAMCSA-N 1 2 350.409 2.590 20 30 FFEDLO C=CCCOCC(=O)N1C[C@H]2CC[N@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001222064383 1032725382 /nfs/dbraw/zinc/72/53/82/1032725382.db2.gz RKHDXMXOBVSJAY-RDTXWAMCSA-N 1 2 350.409 2.590 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3n[nH]cc3c1)C2 ZINC001097735619 1017873774 /nfs/dbraw/zinc/87/37/74/1017873774.db2.gz LCPWIYFAKBARCZ-NRSPTQNISA-N 1 2 371.444 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3n[nH]cc3c1)C2 ZINC001097735619 1017873794 /nfs/dbraw/zinc/87/37/94/1017873794.db2.gz LCPWIYFAKBARCZ-NRSPTQNISA-N 1 2 371.444 2.970 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)[nH]1 ZINC001097868021 1018079981 /nfs/dbraw/zinc/07/99/81/1018079981.db2.gz VZKLHDHTHCVUQJ-QRVBRYPASA-N 1 2 366.440 2.552 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)[nH]1 ZINC001097868021 1018079997 /nfs/dbraw/zinc/07/99/97/1018079997.db2.gz VZKLHDHTHCVUQJ-QRVBRYPASA-N 1 2 366.440 2.552 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001053204220 1018212168 /nfs/dbraw/zinc/21/21/68/1018212168.db2.gz PZINWTOJWPASKX-BPQTVZERSA-N 1 2 372.513 2.572 20 30 FFEDLO Cc1nc(NCC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)c2c([nH+]1)CCCC2 ZINC001053372223 1018271054 /nfs/dbraw/zinc/27/10/54/1018271054.db2.gz UXKNOKMGFAUGCF-CRAIPNDOSA-N 1 2 366.509 2.974 20 30 FFEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1)O2 ZINC001053610469 1018385032 /nfs/dbraw/zinc/38/50/32/1018385032.db2.gz QRKBPQKLYQCXAX-ZCNNSNEGSA-N 1 2 370.493 2.690 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC2(C[NH+](CC=C(C)C)C2)O1 ZINC001053675343 1018410984 /nfs/dbraw/zinc/41/09/84/1018410984.db2.gz MIJVYZBTHPHQNZ-FHWLQOOXSA-N 1 2 362.514 2.674 20 30 FFEDLO CC(C)[C@@H](C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001217510379 1032763245 /nfs/dbraw/zinc/76/32/45/1032763245.db2.gz JCHPKJDQHPVXOV-JCGIZDLHSA-N 1 2 361.511 2.714 20 30 FFEDLO CC(C)[C@@H](C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001217510379 1032763261 /nfs/dbraw/zinc/76/32/61/1032763261.db2.gz JCHPKJDQHPVXOV-JCGIZDLHSA-N 1 2 361.511 2.714 20 30 FFEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927771546 1018660796 /nfs/dbraw/zinc/66/07/96/1018660796.db2.gz MJGCSJFCUNICLS-SFHVURJKSA-N 1 2 372.494 2.796 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1 ZINC001110932355 1018690208 /nfs/dbraw/zinc/69/02/08/1018690208.db2.gz OULUCMFQZPYAAW-OWYHZJEWSA-N 1 2 355.482 2.949 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1 ZINC001110932355 1018690210 /nfs/dbraw/zinc/69/02/10/1018690210.db2.gz OULUCMFQZPYAAW-OWYHZJEWSA-N 1 2 355.482 2.949 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001047032686 1018863137 /nfs/dbraw/zinc/86/31/37/1018863137.db2.gz QRFZHPMITURAAS-VQHPVUNQSA-N 1 2 358.486 2.806 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001042575343 1019073688 /nfs/dbraw/zinc/07/36/88/1019073688.db2.gz KWLZCLDAYBXPMY-XZKMEQPCSA-N 1 2 372.513 2.831 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1-c1cccnc1)C2 ZINC001096185796 1019239095 /nfs/dbraw/zinc/23/90/95/1019239095.db2.gz NZSWOBVAIJGLOL-KBMXLJTQSA-N 1 2 357.845 2.559 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1-c1cccnc1)C2 ZINC001096185796 1019239107 /nfs/dbraw/zinc/23/91/07/1019239107.db2.gz NZSWOBVAIJGLOL-KBMXLJTQSA-N 1 2 357.845 2.559 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2CC)CC1 ZINC000801869466 1019463591 /nfs/dbraw/zinc/46/35/91/1019463591.db2.gz CVWOJOCBRSJAQJ-UHFFFAOYSA-N 1 2 360.465 2.577 20 30 FFEDLO COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)o1 ZINC001098095236 1019464353 /nfs/dbraw/zinc/46/43/53/1019464353.db2.gz GJYGDVOLZNFTKI-OIISXLGYSA-N 1 2 369.396 2.834 20 30 FFEDLO COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)o1 ZINC001098095236 1019464358 /nfs/dbraw/zinc/46/43/58/1019464358.db2.gz GJYGDVOLZNFTKI-OIISXLGYSA-N 1 2 369.396 2.834 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1Nc1cccc(F)c1C#N ZINC001043491674 1019470538 /nfs/dbraw/zinc/47/05/38/1019470538.db2.gz KCUXOOITEXWYCF-FHSNZYRGSA-N 1 2 367.428 2.799 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCC(CC)(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001069609245 1019510074 /nfs/dbraw/zinc/51/00/74/1019510074.db2.gz BQGQVAIOHUVAFN-HZPDHXFCSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCC(CC)(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001069609245 1019510088 /nfs/dbraw/zinc/51/00/88/1019510088.db2.gz BQGQVAIOHUVAFN-HZPDHXFCSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001043578444 1019518649 /nfs/dbraw/zinc/51/86/49/1019518649.db2.gz DUANAEYIVZIBOZ-PILAGYSTSA-N 1 2 370.497 2.902 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001069809316 1019620206 /nfs/dbraw/zinc/62/02/06/1019620206.db2.gz QNRFJPZTGYJCKZ-MSOLQXFVSA-N 1 2 370.497 2.631 20 30 FFEDLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CCCOC1 ZINC001096252246 1019622677 /nfs/dbraw/zinc/62/26/77/1019622677.db2.gz PYVWIYGBOOCUTQ-JKBKZWBZSA-N 1 2 353.466 2.596 20 30 FFEDLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CCCOC1 ZINC001096252246 1019622685 /nfs/dbraw/zinc/62/26/85/1019622685.db2.gz PYVWIYGBOOCUTQ-JKBKZWBZSA-N 1 2 353.466 2.596 20 30 FFEDLO CC[C@@H](C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001217736302 1032853946 /nfs/dbraw/zinc/85/39/46/1032853946.db2.gz FPYBUDPOBDJYQL-MDASCCDHSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H](C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001217736302 1032853960 /nfs/dbraw/zinc/85/39/60/1032853960.db2.gz FPYBUDPOBDJYQL-MDASCCDHSA-N 1 2 359.445 2.545 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ocnc1C1CC1)C2 ZINC001096007868 1019807267 /nfs/dbraw/zinc/80/72/67/1019807267.db2.gz IILDFTVSQJYCSQ-SQNIBIBYSA-N 1 2 362.433 2.959 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ocnc1C1CC1)C2 ZINC001096007868 1019807277 /nfs/dbraw/zinc/80/72/77/1019807277.db2.gz IILDFTVSQJYCSQ-SQNIBIBYSA-N 1 2 362.433 2.959 20 30 FFEDLO COc1cc(C#N)ccc1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000930623981 1020108958 /nfs/dbraw/zinc/10/89/58/1020108958.db2.gz KJOCFSNWPMJKHJ-UHFFFAOYSA-N 1 2 364.449 2.567 20 30 FFEDLO C/C(=C\C(=O)Nc1cccc(C#Cc2ccccn2)c1)C[NH+]1CCOCC1 ZINC000900086346 1020181613 /nfs/dbraw/zinc/18/16/13/1020181613.db2.gz MTXJSNJPQJRHSM-OBGWFSINSA-N 1 2 361.445 2.698 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(F)ccc2F)nc1 ZINC001096372478 1020260647 /nfs/dbraw/zinc/26/06/47/1020260647.db2.gz SLWYQULSNIONEU-UXPWSPDFSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(F)ccc2F)nc1 ZINC001096372478 1020260651 /nfs/dbraw/zinc/26/06/51/1020260651.db2.gz SLWYQULSNIONEU-UXPWSPDFSA-N 1 2 367.399 2.876 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000725804051 1020262914 /nfs/dbraw/zinc/26/29/14/1020262914.db2.gz UOOJUUOHJMWXDF-LJQANCHMSA-N 1 2 361.367 2.831 20 30 FFEDLO C[C@H](c1ccccc1F)[N@@H+]1C[C@H]2OCCN(C(=O)C#CC(C)(C)C)[C@H]2C1 ZINC001217860691 1032889768 /nfs/dbraw/zinc/88/97/68/1032889768.db2.gz HPQJCQPSTLDTFN-AYOQOUSVSA-N 1 2 358.457 2.848 20 30 FFEDLO C[C@H](c1ccccc1F)[N@H+]1C[C@H]2OCCN(C(=O)C#CC(C)(C)C)[C@H]2C1 ZINC001217860691 1032889783 /nfs/dbraw/zinc/88/97/83/1032889783.db2.gz HPQJCQPSTLDTFN-AYOQOUSVSA-N 1 2 358.457 2.848 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cc(C2CC2)n[nH]1 ZINC001096054914 1020307062 /nfs/dbraw/zinc/30/70/62/1020307062.db2.gz QNYNODLKXTZOQB-LMNJBCLMSA-N 1 2 360.461 2.674 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cc(C2CC2)n[nH]1 ZINC001096054914 1020307082 /nfs/dbraw/zinc/30/70/82/1020307082.db2.gz QNYNODLKXTZOQB-LMNJBCLMSA-N 1 2 360.461 2.674 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)Cc2c[nH]nc21 ZINC000931458165 1020475728 /nfs/dbraw/zinc/47/57/28/1020475728.db2.gz CAHXHDPRJDVFGC-IUODEOHRSA-N 1 2 358.405 2.566 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)Cc2c[nH]nc21 ZINC000931458165 1020475734 /nfs/dbraw/zinc/47/57/34/1020475734.db2.gz CAHXHDPRJDVFGC-IUODEOHRSA-N 1 2 358.405 2.566 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCO[C@H](CNC(=O)[C@]34C[C@H]3CCC4)C2)c1 ZINC001073705935 1020606792 /nfs/dbraw/zinc/60/67/92/1020606792.db2.gz CKSNWASXOSNDAG-DBXWQHBBSA-N 1 2 371.456 2.595 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CCCO[C@H](CNC(=O)[C@]34C[C@H]3CCC4)C2)c1 ZINC001073705935 1020606802 /nfs/dbraw/zinc/60/68/02/1020606802.db2.gz CKSNWASXOSNDAG-DBXWQHBBSA-N 1 2 371.456 2.595 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903020808 1020632060 /nfs/dbraw/zinc/63/20/60/1020632060.db2.gz HBHFKXQMLCAKMP-SWLSCSKDSA-N 1 2 370.844 2.515 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903020808 1020632064 /nfs/dbraw/zinc/63/20/64/1020632064.db2.gz HBHFKXQMLCAKMP-SWLSCSKDSA-N 1 2 370.844 2.515 20 30 FFEDLO Cc1nc([C@@H]2CC[N@H+](CC(=O)N(CCC#N)c3cccc(C)c3C)C2)no1 ZINC000931948050 1020641133 /nfs/dbraw/zinc/64/11/33/1020641133.db2.gz YRONGWWIHGJDRY-QGZVFWFLSA-N 1 2 367.453 2.731 20 30 FFEDLO Cc1nc([C@@H]2CC[N@@H+](CC(=O)N(CCC#N)c3cccc(C)c3C)C2)no1 ZINC000931948050 1020641141 /nfs/dbraw/zinc/64/11/41/1020641141.db2.gz YRONGWWIHGJDRY-QGZVFWFLSA-N 1 2 367.453 2.731 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccn(C)n3)CC2)c(C#N)c1C ZINC000932143941 1020722677 /nfs/dbraw/zinc/72/26/77/1020722677.db2.gz PKCIRTKPGHJOBQ-CYBMUJFWSA-N 1 2 355.442 2.708 20 30 FFEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000803343703 1020774341 /nfs/dbraw/zinc/77/43/41/1020774341.db2.gz DDDUNXNMTKOGRO-UHFFFAOYSA-N 1 2 374.444 2.703 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1Cc3cccnc3C1)C2 ZINC001098284127 1020792180 /nfs/dbraw/zinc/79/21/80/1020792180.db2.gz UIDGDRUXSAWJGK-CZAYHTPWSA-N 1 2 372.472 2.590 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1Cc3cccnc3C1)C2 ZINC001098284127 1020792190 /nfs/dbraw/zinc/79/21/90/1020792190.db2.gz UIDGDRUXSAWJGK-CZAYHTPWSA-N 1 2 372.472 2.590 20 30 FFEDLO CCc1nc[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001098296549 1020799810 /nfs/dbraw/zinc/79/98/10/1020799810.db2.gz UKGIEJXAOLBXPZ-OLMNPRSZSA-N 1 2 367.428 2.518 20 30 FFEDLO CCc1nc[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001098296549 1020799816 /nfs/dbraw/zinc/79/98/16/1020799816.db2.gz UKGIEJXAOLBXPZ-OLMNPRSZSA-N 1 2 367.428 2.518 20 30 FFEDLO N#CCCN(C(=O)C[NH+]1CCC(CO)(C(F)(F)F)CC1)c1ccccc1 ZINC000932826195 1020909824 /nfs/dbraw/zinc/90/98/24/1020909824.db2.gz UWTSOLQYTYGEIP-UHFFFAOYSA-N 1 2 369.387 2.570 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001217997730 1032940515 /nfs/dbraw/zinc/94/05/15/1032940515.db2.gz JRPXPVOYYXDVLG-RBUKOAKNSA-N 1 2 371.456 2.711 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001217997730 1032940523 /nfs/dbraw/zinc/94/05/23/1032940523.db2.gz JRPXPVOYYXDVLG-RBUKOAKNSA-N 1 2 371.456 2.711 20 30 FFEDLO CCn1c[nH+]c2c1CCN([C@@H](C)C(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000933259630 1020985442 /nfs/dbraw/zinc/98/54/42/1020985442.db2.gz QNTWWWKBFZJVDD-LBPRGKRZSA-N 1 2 369.494 2.710 20 30 FFEDLO O=C1C=COC2(CC[NH+]([C@H]3CCCN(c4ccccc4F)C3=O)CC2)C1 ZINC000933647615 1021057103 /nfs/dbraw/zinc/05/71/03/1021057103.db2.gz DNJXLVAWPPXIIA-SFHVURJKSA-N 1 2 358.413 2.659 20 30 FFEDLO C=C(C)CCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cc(F)ccc3OC)C[C@@H]21 ZINC001218040998 1032967611 /nfs/dbraw/zinc/96/76/11/1032967611.db2.gz JWLCTRQSSAAEFE-PKOBYXMFSA-N 1 2 362.445 2.602 20 30 FFEDLO C=C(C)CCC(=O)N1CCO[C@@H]2C[N@H+](Cc3cc(F)ccc3OC)C[C@@H]21 ZINC001218040998 1032967619 /nfs/dbraw/zinc/96/76/19/1032967619.db2.gz JWLCTRQSSAAEFE-PKOBYXMFSA-N 1 2 362.445 2.602 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](CCCO)Cc2ccc(OC)cc2)c1C#N ZINC000934504700 1021265242 /nfs/dbraw/zinc/26/52/42/1021265242.db2.gz CZCAGJAOKDGIPK-UHFFFAOYSA-N 1 2 368.433 2.738 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](CCCO)Cc2ccc(OC)cc2)c1C#N ZINC000934504700 1021265253 /nfs/dbraw/zinc/26/52/53/1021265253.db2.gz CZCAGJAOKDGIPK-UHFFFAOYSA-N 1 2 368.433 2.738 20 30 FFEDLO C=C(C)CCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(C(C)C)n3)C[C@@H]21 ZINC001218037857 1032965117 /nfs/dbraw/zinc/96/51/17/1032965117.db2.gz SLHNKFBBHAGMHC-VQTJNVASSA-N 1 2 357.498 2.973 20 30 FFEDLO C=C(C)CCC(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(C(C)C)n3)C[C@@H]21 ZINC001218037857 1032965123 /nfs/dbraw/zinc/96/51/23/1032965123.db2.gz SLHNKFBBHAGMHC-VQTJNVASSA-N 1 2 357.498 2.973 20 30 FFEDLO C=CCC[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1ccccc1 ZINC000934995492 1021515280 /nfs/dbraw/zinc/51/52/80/1021515280.db2.gz DDHGYKMGWRWNJB-AABGKKOBSA-N 1 2 358.482 2.690 20 30 FFEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000935487832 1021734454 /nfs/dbraw/zinc/73/44/54/1021734454.db2.gz JAOWWVJNXRMTFG-GJZGRUSLSA-N 1 2 362.474 2.564 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)c(F)c1 ZINC001014502999 1021878689 /nfs/dbraw/zinc/87/86/89/1021878689.db2.gz OILXBZWFGXOHFM-CEXWTWQISA-N 1 2 364.424 2.587 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)c(F)c1 ZINC001014502999 1021878693 /nfs/dbraw/zinc/87/86/93/1021878693.db2.gz OILXBZWFGXOHFM-CEXWTWQISA-N 1 2 364.424 2.587 20 30 FFEDLO NC(=NOCCCc1cccc(F)c1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000778592452 1022144405 /nfs/dbraw/zinc/14/44/05/1022144405.db2.gz NDQASYHWPCVCGR-UHFFFAOYSA-N 1 2 371.456 2.928 20 30 FFEDLO N#Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1C(F)(F)F ZINC001099305029 1022262772 /nfs/dbraw/zinc/26/27/72/1022262772.db2.gz KHKNMUAMJMODQP-HUUCEWRRSA-N 1 2 369.362 2.787 20 30 FFEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000780312393 1022633171 /nfs/dbraw/zinc/63/31/71/1022633171.db2.gz ORORGUODTSVVGG-LJQANCHMSA-N 1 2 367.424 2.979 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1F ZINC001039923486 1022786906 /nfs/dbraw/zinc/78/69/06/1022786906.db2.gz UASVCVXDKSHHEO-RMJJICAUSA-N 1 2 358.457 2.982 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1F ZINC001039923486 1022786916 /nfs/dbraw/zinc/78/69/16/1022786916.db2.gz UASVCVXDKSHHEO-RMJJICAUSA-N 1 2 358.457 2.982 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CN(c4nc(C)[nH+]c(C)c4C)C[C@H]32)cc1 ZINC001040781356 1022991709 /nfs/dbraw/zinc/99/17/09/1022991709.db2.gz YHURJMQXDFIDPM-VQTJNVASSA-N 1 2 360.461 2.734 20 30 FFEDLO C=C(C)Cn1c(N2CCc3cc[nH+]c(N(C)C)c3C2)nnc1C1(OC)CC1 ZINC001122387157 1023234744 /nfs/dbraw/zinc/23/47/44/1023234744.db2.gz QFISHBRUPWNNBF-UHFFFAOYSA-N 1 2 368.485 2.513 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@@H](C)C[C@@H](C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001122395172 1023240747 /nfs/dbraw/zinc/24/07/47/1023240747.db2.gz KJYSRRMDVVVUFF-VIPLHTEESA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@@H](C)C[C@@H](C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001122395172 1023240753 /nfs/dbraw/zinc/24/07/53/1023240753.db2.gz KJYSRRMDVVVUFF-VIPLHTEESA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2Cc3ccccc3[C@H]2C)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001122396025 1023241763 /nfs/dbraw/zinc/24/17/63/1023241763.db2.gz VLHJSEDORDSWSP-CEQIKUNHSA-N 1 2 367.497 2.847 20 30 FFEDLO C=C(C)Cn1c(N2Cc3ccccc3[C@H]2C)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001122396025 1023241769 /nfs/dbraw/zinc/24/17/69/1023241769.db2.gz VLHJSEDORDSWSP-CEQIKUNHSA-N 1 2 367.497 2.847 20 30 FFEDLO C=C(C)Cn1c([C@@H](O)C(C)C)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001122508744 1023310437 /nfs/dbraw/zinc/31/04/37/1023310437.db2.gz NDUSGKHCFFVKLY-KRWDZBQOSA-N 1 2 370.501 2.567 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc(C[NH+]3CCC(CO)CC3)n2CC(=C)C)C1 ZINC001122566886 1023342920 /nfs/dbraw/zinc/34/29/20/1023342920.db2.gz KVEIAVJZBJOCSN-GOSISDBHSA-N 1 2 373.545 2.851 20 30 FFEDLO CCOCCCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001122607425 1023365219 /nfs/dbraw/zinc/36/52/19/1023365219.db2.gz WEQIDBQAROADDD-APWZRJJASA-N 1 2 360.506 2.601 20 30 FFEDLO CCOCCCn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001122607425 1023365222 /nfs/dbraw/zinc/36/52/22/1023365222.db2.gz WEQIDBQAROADDD-APWZRJJASA-N 1 2 360.506 2.601 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCc2nc(-c3ccccc3)no2)c1 ZINC000077267707 1023568864 /nfs/dbraw/zinc/56/88/64/1023568864.db2.gz QXPHQMXNOIZDBN-UHFFFAOYSA-N 1 2 360.417 2.831 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCc2nc(-c3ccccc3)no2)c1 ZINC000077267707 1023568871 /nfs/dbraw/zinc/56/88/71/1023568871.db2.gz QXPHQMXNOIZDBN-UHFFFAOYSA-N 1 2 360.417 2.831 20 30 FFEDLO C=CCOCc1nnc(N(CC)CC2CCN(c3cccc[nH+]3)CC2)n1C ZINC001121357234 1023727672 /nfs/dbraw/zinc/72/76/72/1023727672.db2.gz QJHJERAYINWWGO-UHFFFAOYSA-N 1 2 370.501 2.656 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@H](C(C)C)C1 ZINC001121492553 1023807986 /nfs/dbraw/zinc/80/79/86/1023807986.db2.gz KSKZKLFVHWVVGB-KSZLIROESA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@H](C(C)C)C1 ZINC001121492553 1023807992 /nfs/dbraw/zinc/80/79/92/1023807992.db2.gz KSKZKLFVHWVVGB-KSZLIROESA-N 1 2 359.518 2.872 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC ZINC001111313496 1023816347 /nfs/dbraw/zinc/81/63/47/1023816347.db2.gz HJSFELCTZHBEMZ-KURKYZTESA-N 1 2 351.535 2.985 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC ZINC001111313496 1023816352 /nfs/dbraw/zinc/81/63/52/1023816352.db2.gz HJSFELCTZHBEMZ-KURKYZTESA-N 1 2 351.535 2.985 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C(C)C)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121607934 1023877570 /nfs/dbraw/zinc/87/75/70/1023877570.db2.gz QIDZUJWOKIQCGZ-ABSDTBQOSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C(C)C)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001121607934 1023877573 /nfs/dbraw/zinc/87/75/73/1023877573.db2.gz QIDZUJWOKIQCGZ-ABSDTBQOSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC(C)(C(C)C)CC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121607730 1023877803 /nfs/dbraw/zinc/87/78/03/1023877803.db2.gz PKWABOOXYBWZNS-JXFKEZNVSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC(C)(C(C)C)CC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001121607730 1023877809 /nfs/dbraw/zinc/87/78/09/1023877809.db2.gz PKWABOOXYBWZNS-JXFKEZNVSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCCC3(CCCC3)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121608971 1023878654 /nfs/dbraw/zinc/87/86/54/1023878654.db2.gz XFFUUMVSXLQPCK-VQIMIIECSA-N 1 2 359.518 2.536 20 30 FFEDLO C=CCn1c(N2CCCC3(CCCC3)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121608971 1023878661 /nfs/dbraw/zinc/87/86/61/1023878661.db2.gz XFFUUMVSXLQPCK-VQIMIIECSA-N 1 2 359.518 2.536 20 30 FFEDLO C=CCn1c(Cc2ccoc2)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001121610449 1023880090 /nfs/dbraw/zinc/88/00/90/1023880090.db2.gz SGWSZLIZDIDKRZ-UHFFFAOYSA-N 1 2 364.453 2.672 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)C)s3)C[C@@]2(C)C1 ZINC001101217828 1024114575 /nfs/dbraw/zinc/11/45/75/1024114575.db2.gz JRBJJCYCIKQZRP-BEFAXECRSA-N 1 2 360.527 2.745 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)C)s3)C[C@@]2(C)C1 ZINC001101217828 1024114579 /nfs/dbraw/zinc/11/45/79/1024114579.db2.gz JRBJJCYCIKQZRP-BEFAXECRSA-N 1 2 360.527 2.745 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101337621 1024486121 /nfs/dbraw/zinc/48/61/21/1024486121.db2.gz GPZAKGLEFLASCA-YRNRMSPPSA-N 1 2 359.518 2.811 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101337621 1024486132 /nfs/dbraw/zinc/48/61/32/1024486132.db2.gz GPZAKGLEFLASCA-YRNRMSPPSA-N 1 2 359.518 2.811 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001101987800 1025249839 /nfs/dbraw/zinc/24/98/39/1025249839.db2.gz GQYLYBIZRRRDON-GIPNMCIBSA-N 1 2 363.380 2.704 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001101987800 1025249848 /nfs/dbraw/zinc/24/98/48/1025249848.db2.gz GQYLYBIZRRRDON-GIPNMCIBSA-N 1 2 363.380 2.704 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001101987800 1025249857 /nfs/dbraw/zinc/24/98/57/1025249857.db2.gz GQYLYBIZRRRDON-GIPNMCIBSA-N 1 2 363.380 2.704 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001101987800 1025249874 /nfs/dbraw/zinc/24/98/74/1025249874.db2.gz GQYLYBIZRRRDON-GIPNMCIBSA-N 1 2 363.380 2.704 20 30 FFEDLO C[C@H](c1csnn1)[N@H+]1C[C@@H](CNC(=O)CC#Cc2ccccc2)[C@H](C)C1 ZINC001102592607 1026372883 /nfs/dbraw/zinc/37/28/83/1026372883.db2.gz HSOXKKGOKNLFOZ-JFIYKMOQSA-N 1 2 368.506 2.725 20 30 FFEDLO C[C@H](c1csnn1)[N@@H+]1C[C@@H](CNC(=O)CC#Cc2ccccc2)[C@H](C)C1 ZINC001102592607 1026372892 /nfs/dbraw/zinc/37/28/92/1026372892.db2.gz HSOXKKGOKNLFOZ-JFIYKMOQSA-N 1 2 368.506 2.725 20 30 FFEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OC ZINC000839168603 1026609573 /nfs/dbraw/zinc/60/95/73/1026609573.db2.gz LNWCXMHHHOIPPQ-YVSFHVDLSA-N 1 2 364.486 2.709 20 30 FFEDLO Cc1ccn(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)c1C#N ZINC000840122274 1026967940 /nfs/dbraw/zinc/96/79/40/1026967940.db2.gz CRTSBURZRHUFJK-INIZCTEOSA-N 1 2 352.394 2.774 20 30 FFEDLO Cc1ccn(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)c1C#N ZINC000840122274 1026967945 /nfs/dbraw/zinc/96/79/45/1026967945.db2.gz CRTSBURZRHUFJK-INIZCTEOSA-N 1 2 352.394 2.774 20 30 FFEDLO N#CCc1cc[nH+]c(N2CCN(c3ccc(-c4ncccn4)cc3)CC2)c1 ZINC001158515318 1027050898 /nfs/dbraw/zinc/05/08/98/1027050898.db2.gz JQEWWNGGAXOCAV-UHFFFAOYSA-N 1 2 356.433 2.931 20 30 FFEDLO CCOC(=O)[C@H]([NH3+])CNc1c(C#N)c(Cl)nc2ccc(F)c(C)c21 ZINC001161950720 1028375160 /nfs/dbraw/zinc/37/51/60/1028375160.db2.gz KCQVKKBDWHBUQA-LLVKDONJSA-N 1 2 350.781 2.510 20 30 FFEDLO C#CCCCNc1[nH+]cnc2c1cc(C)n2S(=O)(=O)c1ccccc1 ZINC001155010945 1028546172 /nfs/dbraw/zinc/54/61/72/1028546172.db2.gz XWDMQRGVJLEMKW-UHFFFAOYSA-N 1 2 354.435 2.802 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)CC2CC2)CCCC1 ZINC001111518102 1028720310 /nfs/dbraw/zinc/72/03/10/1028720310.db2.gz RICLMYHOCUSJQD-QRVBRYPASA-N 1 2 373.541 2.713 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)CC2CC2)CCCC1 ZINC001111518102 1028720317 /nfs/dbraw/zinc/72/03/17/1028720317.db2.gz RICLMYHOCUSJQD-QRVBRYPASA-N 1 2 373.541 2.713 20 30 FFEDLO N#CCc1cc[nH+]c(NC[C@@H]2OCCc3cn(Cc4ccccn4)nc32)c1 ZINC001155756349 1028892337 /nfs/dbraw/zinc/89/23/37/1028892337.db2.gz PNWNBFGDUGRZDR-SFHVURJKSA-N 1 2 360.421 2.513 20 30 FFEDLO Cc1cc(N(C(N)=[NH2+])c2ccc(COc3ccc(CC#N)cc3)cn2)n[nH]1 ZINC001163512225 1028955199 /nfs/dbraw/zinc/95/51/99/1028955199.db2.gz UKSAYVJERXDQMZ-UHFFFAOYSA-N 1 2 361.409 2.790 20 30 FFEDLO N#Cc1cc(Cl)cnc1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC001163900214 1029108275 /nfs/dbraw/zinc/10/82/75/1029108275.db2.gz JFSNEXAJUPQHLB-UHFFFAOYSA-N 1 2 356.813 2.658 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1nnc(CC)[nH]1)C2 ZINC001111713004 1029215008 /nfs/dbraw/zinc/21/50/08/1029215008.db2.gz PSYJGRVDEKCZPJ-GUXCAODWSA-N 1 2 357.502 2.592 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1nnc(CC)[nH]1)C2 ZINC001111713004 1029215020 /nfs/dbraw/zinc/21/50/20/1029215020.db2.gz PSYJGRVDEKCZPJ-GUXCAODWSA-N 1 2 357.502 2.592 20 30 FFEDLO CCCn1c(C)nnc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C#CC(C)(C)C)C1 ZINC001111741864 1029307461 /nfs/dbraw/zinc/30/74/61/1029307461.db2.gz SKPWPGZSMHRWOI-UWJYYQICSA-N 1 2 371.529 2.517 20 30 FFEDLO CCCn1c(C)nnc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C#CC(C)(C)C)C1 ZINC001111741864 1029307475 /nfs/dbraw/zinc/30/74/75/1029307475.db2.gz SKPWPGZSMHRWOI-UWJYYQICSA-N 1 2 371.529 2.517 20 30 FFEDLO C[NH+](C)Cc1nc(CSCCNc2ncnc3[nH]cc(C#N)c32)cs1 ZINC001157332596 1029556939 /nfs/dbraw/zinc/55/69/39/1029556939.db2.gz CSNZQROUNJJZDN-UHFFFAOYSA-N 1 2 373.511 2.693 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)n1C1CC1)C2 ZINC001111848647 1029612982 /nfs/dbraw/zinc/61/29/82/1029612982.db2.gz NVVKVDNJQZDQCJ-WJPUGNRLSA-N 1 2 371.529 2.994 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)n1C1CC1)C2 ZINC001111848647 1029612991 /nfs/dbraw/zinc/61/29/91/1029612991.db2.gz NVVKVDNJQZDQCJ-WJPUGNRLSA-N 1 2 371.529 2.994 20 30 FFEDLO C#CCC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3nocc3C)C2)CCC1 ZINC001112114423 1030037805 /nfs/dbraw/zinc/03/78/05/1030037805.db2.gz QFJKFHGLHTVWKH-UKRRQHHQSA-N 1 2 369.387 2.656 20 30 FFEDLO Cc1cc(N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)ncc1C#N ZINC001165740650 1030105953 /nfs/dbraw/zinc/10/59/53/1030105953.db2.gz VSPMDPOWODTERP-INIZCTEOSA-N 1 2 360.421 2.569 20 30 FFEDLO C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)c1 ZINC000783889312 1030322764 /nfs/dbraw/zinc/32/27/64/1030322764.db2.gz LDZCBSHJCNMIGD-UHFFFAOYSA-N 1 2 354.410 2.598 20 30 FFEDLO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2CN(c3cc(CC#N)cc[nH+]3)C[C@@H]21 ZINC001166353399 1030378055 /nfs/dbraw/zinc/37/80/55/1030378055.db2.gz FNBHTJQNWWWTMU-BJLQDIEVSA-N 1 2 361.449 2.694 20 30 FFEDLO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(c3[nH+]ccc4ccc(C#N)cc43)[C@@H]2C1 ZINC001166407064 1030395413 /nfs/dbraw/zinc/39/54/13/1030395413.db2.gz BDOVRISMNFIVGZ-QXAKKESOSA-N 1 2 364.449 2.615 20 30 FFEDLO Cc1cc(F)ccc1CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000784051974 1030441347 /nfs/dbraw/zinc/44/13/47/1030441347.db2.gz CHFQWIMWKILXRX-UHFFFAOYSA-N 1 2 357.429 2.803 20 30 FFEDLO C=C(C)C(=O)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001142510542 1030560604 /nfs/dbraw/zinc/56/06/04/1030560604.db2.gz YKSNEYVSQWQHTQ-LBPRGKRZSA-N 1 2 350.216 2.573 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)c(OC)c1OC ZINC001203469984 1030711507 /nfs/dbraw/zinc/71/15/07/1030711507.db2.gz SWISSJIDALPUET-UHFFFAOYSA-N 1 2 367.449 2.906 20 30 FFEDLO COc1cc(OC)c(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c(OC)c1 ZINC001203512689 1030734695 /nfs/dbraw/zinc/73/46/95/1030734695.db2.gz QYZFPOOMIFMARU-UHFFFAOYSA-N 1 2 367.449 2.906 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1 ZINC001203900344 1030967108 /nfs/dbraw/zinc/96/71/08/1030967108.db2.gz ZMDFHHTWNCXPJX-ROUUACIJSA-N 1 2 357.454 2.768 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1 ZINC001203900344 1030967116 /nfs/dbraw/zinc/96/71/16/1030967116.db2.gz ZMDFHHTWNCXPJX-ROUUACIJSA-N 1 2 357.454 2.768 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)c(OC)c(Cl)c2)C1=O ZINC001276452251 1031212865 /nfs/dbraw/zinc/21/28/65/1031212865.db2.gz ACOFPOOAWXGLDW-SFHVURJKSA-N 1 2 350.821 2.688 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)c(OC)c(Cl)c2)C1=O ZINC001276452251 1031212874 /nfs/dbraw/zinc/21/28/74/1031212874.db2.gz ACOFPOOAWXGLDW-SFHVURJKSA-N 1 2 350.821 2.688 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CO)C2)cc1 ZINC001204299895 1031216277 /nfs/dbraw/zinc/21/62/77/1031216277.db2.gz DCJZRDSOJSMMSZ-QGZVFWFLSA-N 1 2 362.470 2.665 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CO)C2)cc1 ZINC001204299895 1031216288 /nfs/dbraw/zinc/21/62/88/1031216288.db2.gz DCJZRDSOJSMMSZ-QGZVFWFLSA-N 1 2 362.470 2.665 20 30 FFEDLO N#Cc1ccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1F ZINC001205615847 1031873321 /nfs/dbraw/zinc/87/33/21/1031873321.db2.gz WLGJPGTUZHFGEK-HNNXBMFYSA-N 1 2 362.202 2.776 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(cnn3[C@@H]3CCCCO3)c2)CC1 ZINC001151575934 1031989411 /nfs/dbraw/zinc/98/94/11/1031989411.db2.gz CFOZNVYUOKUNHZ-IBGZPJMESA-N 1 2 354.454 2.679 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001219482267 1033665379 /nfs/dbraw/zinc/66/53/79/1033665379.db2.gz SVRMWQQUHPTZNV-SJORKVTESA-N 1 2 368.399 2.560 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001219482267 1033665386 /nfs/dbraw/zinc/66/53/86/1033665386.db2.gz SVRMWQQUHPTZNV-SJORKVTESA-N 1 2 368.399 2.560 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@@H]1O ZINC001219492402 1033669351 /nfs/dbraw/zinc/66/93/51/1033669351.db2.gz KNPSNRUZEVHUDZ-XWIAVFTESA-N 1 2 366.864 2.895 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(Cl)c2)C[C@@H]1O ZINC001219492402 1033669359 /nfs/dbraw/zinc/66/93/59/1033669359.db2.gz KNPSNRUZEVHUDZ-XWIAVFTESA-N 1 2 366.864 2.895 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@@H]1O ZINC001219703225 1033770187 /nfs/dbraw/zinc/77/01/87/1033770187.db2.gz XLVZSUJEUNLFQV-CABCVRRESA-N 1 2 357.281 2.780 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@@H]1O ZINC001219703225 1033770207 /nfs/dbraw/zinc/77/02/07/1033770207.db2.gz XLVZSUJEUNLFQV-CABCVRRESA-N 1 2 357.281 2.780 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(C4CC4)o3)[C@H]2C1 ZINC001224280588 1033823418 /nfs/dbraw/zinc/82/34/18/1033823418.db2.gz JGYKQTSZNBYBJR-UXLLHSPISA-N 1 2 359.470 2.566 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)[C@H]2C1 ZINC001224280588 1033823424 /nfs/dbraw/zinc/82/34/24/1033823424.db2.gz JGYKQTSZNBYBJR-UXLLHSPISA-N 1 2 359.470 2.566 20 30 FFEDLO C=CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cc(F)c(O)c(Cl)c3)C2)C1=O ZINC001276992795 1033983335 /nfs/dbraw/zinc/98/33/35/1033983335.db2.gz YYSXVDJYOVQHJG-GOSISDBHSA-N 1 2 366.820 2.712 20 30 FFEDLO C=CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(F)c(O)c(Cl)c3)C2)C1=O ZINC001276992795 1033983341 /nfs/dbraw/zinc/98/33/41/1033983341.db2.gz YYSXVDJYOVQHJG-GOSISDBHSA-N 1 2 366.820 2.712 20 30 FFEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1cncc(Cl)c1Cl)CC2 ZINC001277005721 1034051576 /nfs/dbraw/zinc/05/15/76/1034051576.db2.gz YZRQKLXKTBPWQR-CYBMUJFWSA-N 1 2 352.265 2.740 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3ccc(F)c(C#N)c3)C2)c1 ZINC001535552911 1069833917 /nfs/dbraw/zinc/83/39/17/1069833917.db2.gz LYZAGZULNUTBHP-IBGZPJMESA-N 1 2 367.424 2.637 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3ccc(F)c(C#N)c3)C2)c1 ZINC001535552911 1069833941 /nfs/dbraw/zinc/83/39/41/1069833941.db2.gz LYZAGZULNUTBHP-IBGZPJMESA-N 1 2 367.424 2.637 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)C[C@@H]1O ZINC001220435625 1034175639 /nfs/dbraw/zinc/17/56/39/1034175639.db2.gz HOYQXJMTASPAJS-SJORKVTESA-N 1 2 350.890 2.912 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)C[C@@H]1O ZINC001220435625 1034175643 /nfs/dbraw/zinc/17/56/43/1034175643.db2.gz HOYQXJMTASPAJS-SJORKVTESA-N 1 2 350.890 2.912 20 30 FFEDLO Cc1ccccc1-c1nc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C)C#N)no1 ZINC001225426702 1034249289 /nfs/dbraw/zinc/24/92/89/1034249289.db2.gz MXQZAOSQOQLHGT-USXIJHARSA-N 1 2 367.453 2.722 20 30 FFEDLO N#Cc1cccnc1NCc1cccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001138457197 1034294662 /nfs/dbraw/zinc/29/46/62/1034294662.db2.gz ANZNUNVJDHIQBJ-GOSISDBHSA-N 1 2 372.432 2.507 20 30 FFEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC001138558686 1034410755 /nfs/dbraw/zinc/41/07/55/1034410755.db2.gz FGOOBNOYHQLTGY-UHFFFAOYSA-N 1 2 352.409 2.796 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC001535620752 1069858086 /nfs/dbraw/zinc/85/80/86/1069858086.db2.gz UMXZPVXXSREWBA-SFTDATJTSA-N 1 2 360.461 2.830 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC001535620752 1069858109 /nfs/dbraw/zinc/85/81/09/1069858109.db2.gz UMXZPVXXSREWBA-SFTDATJTSA-N 1 2 360.461 2.830 20 30 FFEDLO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C(F)C(F)(F)F)cc1 ZINC001226365827 1034653582 /nfs/dbraw/zinc/65/35/82/1034653582.db2.gz NBKCTADNNUACAL-KFWWJZLASA-N 1 2 357.351 2.976 20 30 FFEDLO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](F)C(F)(F)F)cc1 ZINC001226365827 1034653587 /nfs/dbraw/zinc/65/35/87/1034653587.db2.gz NBKCTADNNUACAL-KFWWJZLASA-N 1 2 357.351 2.976 20 30 FFEDLO CCOCCCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221312296 1034668466 /nfs/dbraw/zinc/66/84/66/1034668466.db2.gz CKKJMLUWRGXKCV-VQIMIIECSA-N 1 2 359.445 2.547 20 30 FFEDLO CCOCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221312296 1034668478 /nfs/dbraw/zinc/66/84/78/1034668478.db2.gz CKKJMLUWRGXKCV-VQIMIIECSA-N 1 2 359.445 2.547 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221422102 1034736855 /nfs/dbraw/zinc/73/68/55/1034736855.db2.gz QTSZSNOFTJMMPI-FBBABVLZSA-N 1 2 370.468 2.691 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221422102 1034736862 /nfs/dbraw/zinc/73/68/62/1034736862.db2.gz QTSZSNOFTJMMPI-FBBABVLZSA-N 1 2 370.468 2.691 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3cccc(C)c3C)C[C@H]21 ZINC001221424363 1034739344 /nfs/dbraw/zinc/73/93/44/1034739344.db2.gz BYPCSDRKNXPDEP-IEBWSBKVSA-N 1 2 355.482 2.741 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3cccc(C)c3C)C[C@H]21 ZINC001221424363 1034739360 /nfs/dbraw/zinc/73/93/60/1034739360.db2.gz BYPCSDRKNXPDEP-IEBWSBKVSA-N 1 2 355.482 2.741 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)c3nc(-c4ccco4)no3)C[C@H]21 ZINC001221424513 1034741193 /nfs/dbraw/zinc/74/11/93/1034741193.db2.gz HBMNMTZLNMOOMA-RBSFLKMASA-N 1 2 356.426 2.890 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)c3nc(-c4ccco4)no3)C[C@H]21 ZINC001221424513 1034741207 /nfs/dbraw/zinc/74/12/07/1034741207.db2.gz HBMNMTZLNMOOMA-RBSFLKMASA-N 1 2 356.426 2.890 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccn(-c4ccccc4)n3)C[C@H]21 ZINC001221429293 1034749306 /nfs/dbraw/zinc/74/93/06/1034749306.db2.gz QXOSEJMMHVDJND-YLJYHZDGSA-N 1 2 350.466 2.871 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccn(-c4ccccc4)n3)C[C@H]21 ZINC001221429293 1034749322 /nfs/dbraw/zinc/74/93/22/1034749322.db2.gz QXOSEJMMHVDJND-YLJYHZDGSA-N 1 2 350.466 2.871 20 30 FFEDLO CS[C@@H](C)CC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221486940 1034812057 /nfs/dbraw/zinc/81/20/57/1034812057.db2.gz DNBFUCIISISEGL-JCKWVBRZSA-N 1 2 361.486 2.872 20 30 FFEDLO CS[C@@H](C)CC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221486940 1034812065 /nfs/dbraw/zinc/81/20/65/1034812065.db2.gz DNBFUCIISISEGL-JCKWVBRZSA-N 1 2 361.486 2.872 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3nc4ccccc4n3C)C[C@H]21 ZINC001221488394 1034812903 /nfs/dbraw/zinc/81/29/03/1034812903.db2.gz GKPBTWYRNDUKEH-YLJYHZDGSA-N 1 2 364.493 2.800 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2CC[N@H+](Cc3nc4ccccc4n3C)C[C@H]21 ZINC001221488394 1034812917 /nfs/dbraw/zinc/81/29/17/1034812917.db2.gz GKPBTWYRNDUKEH-YLJYHZDGSA-N 1 2 364.493 2.800 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3)C[C@H]21 ZINC001221493692 1034819397 /nfs/dbraw/zinc/81/93/97/1034819397.db2.gz DECQJSMGRUCYBH-NLWGTHIKSA-N 1 2 367.493 2.740 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3)C[C@H]21 ZINC001221493692 1034819409 /nfs/dbraw/zinc/81/94/09/1034819409.db2.gz DECQJSMGRUCYBH-NLWGTHIKSA-N 1 2 367.493 2.740 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)cc3Cl)C[C@H]21 ZINC001221516257 1034835646 /nfs/dbraw/zinc/83/56/46/1034835646.db2.gz JFJDMMFELLYEHI-LSBZLQRGSA-N 1 2 366.864 2.839 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)cc3Cl)C[C@H]21 ZINC001221516257 1034835655 /nfs/dbraw/zinc/83/56/55/1034835655.db2.gz JFJDMMFELLYEHI-LSBZLQRGSA-N 1 2 366.864 2.839 20 30 FFEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)c3c(F)cccc3F)C[C@H]21 ZINC001221542684 1034861578 /nfs/dbraw/zinc/86/15/78/1034861578.db2.gz REKCLYUKRSZNKG-IIDMSEBBSA-N 1 2 362.420 2.598 20 30 FFEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)c3c(F)cccc3F)C[C@H]21 ZINC001221542684 1034861586 /nfs/dbraw/zinc/86/15/86/1034861586.db2.gz REKCLYUKRSZNKG-IIDMSEBBSA-N 1 2 362.420 2.598 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccccc3C)C[C@H]21 ZINC001221582247 1034895576 /nfs/dbraw/zinc/89/55/76/1034895576.db2.gz LSSNAVSVJZFYOX-IEBWSBKVSA-N 1 2 355.482 2.823 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3C)C[C@H]21 ZINC001221582247 1034895586 /nfs/dbraw/zinc/89/55/86/1034895586.db2.gz LSSNAVSVJZFYOX-IEBWSBKVSA-N 1 2 355.482 2.823 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1c[nH]c2cccc(C)c12 ZINC001139193656 1035000114 /nfs/dbraw/zinc/00/01/14/1035000114.db2.gz HCTGRDWBFOVKKC-SFHVURJKSA-N 1 2 351.454 2.907 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1c[nH]c2cccc(C)c12 ZINC001139193656 1035000120 /nfs/dbraw/zinc/00/01/20/1035000120.db2.gz HCTGRDWBFOVKKC-SFHVURJKSA-N 1 2 351.454 2.907 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001221753595 1035038854 /nfs/dbraw/zinc/03/88/54/1035038854.db2.gz GQNDIPJQJIYARK-YQVWRLOYSA-N 1 2 355.482 2.760 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001221753595 1035038858 /nfs/dbraw/zinc/03/88/58/1035038858.db2.gz GQNDIPJQJIYARK-YQVWRLOYSA-N 1 2 355.482 2.760 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(OC)ccn4)C[C@H]32)CCC1 ZINC001221797727 1035078129 /nfs/dbraw/zinc/07/81/29/1035078129.db2.gz CYXZDZVFXNSMOU-VQIMIIECSA-N 1 2 355.482 2.869 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(OC)ccn4)C[C@H]32)CCC1 ZINC001221797727 1035078133 /nfs/dbraw/zinc/07/81/33/1035078133.db2.gz CYXZDZVFXNSMOU-VQIMIIECSA-N 1 2 355.482 2.869 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C[N@@H+]3CCO[C@@]4(CCOC4)C3)cn2)cc1 ZINC001139426728 1035103055 /nfs/dbraw/zinc/10/30/55/1035103055.db2.gz KQORUUJWGAVCBU-FQEVSTJZSA-N 1 2 351.406 2.737 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C[N@H+]3CCO[C@@]4(CCOC4)C3)cn2)cc1 ZINC001139426728 1035103058 /nfs/dbraw/zinc/10/30/58/1035103058.db2.gz KQORUUJWGAVCBU-FQEVSTJZSA-N 1 2 351.406 2.737 20 30 FFEDLO C=CCn1cc(C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cn1 ZINC001139770630 1035226489 /nfs/dbraw/zinc/22/64/89/1035226489.db2.gz UTJRRACBSURDJM-UHFFFAOYSA-N 1 2 351.376 2.805 20 30 FFEDLO C=CCn1cc(C[N@@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)cn1 ZINC001139771831 1035226999 /nfs/dbraw/zinc/22/69/99/1035226999.db2.gz QLNBCTSVKZTEFU-PCCBWWKXSA-N 1 2 368.481 2.660 20 30 FFEDLO C=CCn1cc(C[N@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)cn1 ZINC001139771831 1035227002 /nfs/dbraw/zinc/22/70/02/1035227002.db2.gz QLNBCTSVKZTEFU-PCCBWWKXSA-N 1 2 368.481 2.660 20 30 FFEDLO COC(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)cc1 ZINC001140139616 1035356034 /nfs/dbraw/zinc/35/60/34/1035356034.db2.gz AALQDKSGXIKHPV-UHFFFAOYSA-N 1 2 353.397 2.806 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccc(Cl)cc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227306355 1035500411 /nfs/dbraw/zinc/50/04/11/1035500411.db2.gz IXCCKPYCXIPBDP-UBYSCORNSA-N 1 2 352.221 2.928 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccc(Cl)cc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227306355 1035500421 /nfs/dbraw/zinc/50/04/21/1035500421.db2.gz IXCCKPYCXIPBDP-UBYSCORNSA-N 1 2 352.221 2.928 20 30 FFEDLO Cc1ccc(C[NH+]2CC3(C2)COCC(=O)N3CCCC#N)c(C)c1Cl ZINC001277198663 1035504188 /nfs/dbraw/zinc/50/41/88/1035504188.db2.gz SCULPAYDDWWGCT-UHFFFAOYSA-N 1 2 361.873 2.674 20 30 FFEDLO N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2ccncc2C(F)(F)F)C1=O ZINC001277204615 1035527974 /nfs/dbraw/zinc/52/79/74/1035527974.db2.gz QSXNOOIQVOKQRF-KRWDZBQOSA-N 1 2 366.387 2.971 20 30 FFEDLO N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccncc2C(F)(F)F)C1=O ZINC001277204615 1035527983 /nfs/dbraw/zinc/52/79/83/1035527983.db2.gz QSXNOOIQVOKQRF-KRWDZBQOSA-N 1 2 366.387 2.971 20 30 FFEDLO COc1c(Cl)cnc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1C#N ZINC001227557340 1035608101 /nfs/dbraw/zinc/60/81/01/1035608101.db2.gz NOCPKPKELHBTAF-OAHLLOKOSA-N 1 2 373.840 2.895 20 30 FFEDLO COc1c(Cl)cnc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1C#N ZINC001227557340 1035608115 /nfs/dbraw/zinc/60/81/15/1035608115.db2.gz NOCPKPKELHBTAF-OAHLLOKOSA-N 1 2 373.840 2.895 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)c1 ZINC001232676689 1035933395 /nfs/dbraw/zinc/93/33/95/1035933395.db2.gz BFQHTGKCXCZTBY-XKGZKEIXSA-N 1 2 365.433 2.717 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)c1 ZINC001232676689 1035933412 /nfs/dbraw/zinc/93/34/12/1035933412.db2.gz BFQHTGKCXCZTBY-XKGZKEIXSA-N 1 2 365.433 2.717 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)c1 ZINC001232676442 1035933989 /nfs/dbraw/zinc/93/39/89/1035933989.db2.gz JWGNQVIZTXUEPV-IBGZPJMESA-N 1 2 353.447 2.954 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)c1 ZINC001232676442 1035933993 /nfs/dbraw/zinc/93/39/93/1035933993.db2.gz JWGNQVIZTXUEPV-IBGZPJMESA-N 1 2 353.447 2.954 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)c1 ZINC001232676913 1035936030 /nfs/dbraw/zinc/93/60/30/1035936030.db2.gz VAMVVWKHLXNVKW-WBVHZDCISA-N 1 2 351.406 2.593 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)c1 ZINC001232676913 1035936035 /nfs/dbraw/zinc/93/60/35/1035936035.db2.gz VAMVVWKHLXNVKW-WBVHZDCISA-N 1 2 351.406 2.593 20 30 FFEDLO N#Cc1ccc(F)cc1C[NH+]1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1 ZINC001232891021 1036133053 /nfs/dbraw/zinc/13/30/53/1036133053.db2.gz VHDNZQPZUYJBSS-IBGZPJMESA-N 1 2 364.424 2.731 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCCN(c4cccnc4)C3)C2)c(O)c1 ZINC001233384421 1036584271 /nfs/dbraw/zinc/58/42/71/1036584271.db2.gz VGPCRUQBARXFQZ-OAQYLSRUSA-N 1 2 364.449 2.530 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCCN(c4cccnc4)C3)C2)c(O)c1 ZINC001233384421 1036584287 /nfs/dbraw/zinc/58/42/87/1036584287.db2.gz VGPCRUQBARXFQZ-OAQYLSRUSA-N 1 2 364.449 2.530 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)c(O)c1 ZINC001233387652 1036587752 /nfs/dbraw/zinc/58/77/52/1036587752.db2.gz RQGQJCAVKCFDPC-UHFFFAOYSA-N 1 2 355.825 2.875 20 30 FFEDLO C=CCCCCCC[C@H](O)C[NH+]1CC2(C1)CN(C1CCCC1)C(=O)CO2 ZINC001277840428 1036967351 /nfs/dbraw/zinc/96/73/51/1036967351.db2.gz FPQFUOUXSZLBFA-IBGZPJMESA-N 1 2 364.530 2.730 20 30 FFEDLO Cc1nc(C(F)(F)F)c(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC3CC3)C2)s1 ZINC001206948646 1036968564 /nfs/dbraw/zinc/96/85/64/1036968564.db2.gz UUHSLLIEZZILAQ-ZWNOBZJWSA-N 1 2 371.428 2.820 20 30 FFEDLO Cc1nc(C(F)(F)F)c(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC3CC3)C2)s1 ZINC001206948646 1036968572 /nfs/dbraw/zinc/96/85/72/1036968572.db2.gz UUHSLLIEZZILAQ-ZWNOBZJWSA-N 1 2 371.428 2.820 20 30 FFEDLO CCc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001206949419 1036968691 /nfs/dbraw/zinc/96/86/91/1036968691.db2.gz COOGWEFUVWFZIA-VQIMIIECSA-N 1 2 369.509 2.674 20 30 FFEDLO CCc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001206949419 1036968709 /nfs/dbraw/zinc/96/87/09/1036968709.db2.gz COOGWEFUVWFZIA-VQIMIIECSA-N 1 2 369.509 2.674 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001207239692 1037273973 /nfs/dbraw/zinc/27/39/73/1037273973.db2.gz JHQHUAMXFMOCAR-ZFWWWQNUSA-N 1 2 352.500 2.908 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001207239692 1037273981 /nfs/dbraw/zinc/27/39/81/1037273981.db2.gz JHQHUAMXFMOCAR-ZFWWWQNUSA-N 1 2 352.500 2.908 20 30 FFEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccc(OC(C)C)c(C)c1)C2 ZINC001277461005 1037327608 /nfs/dbraw/zinc/32/76/08/1037327608.db2.gz QQSHFPDCHYCKFY-UHFFFAOYSA-N 1 2 358.482 2.772 20 30 FFEDLO C=C(Cl)C[N@@H+](CCCNC(=O)[C@H]1OCC[C@H]1C)Cc1cccnc1 ZINC001230849616 1037374909 /nfs/dbraw/zinc/37/49/09/1037374909.db2.gz RGJFZZOCEXBDAN-PBHICJAKSA-N 1 2 351.878 2.567 20 30 FFEDLO C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1OCC[C@H]1C)Cc1cccnc1 ZINC001230849616 1037374924 /nfs/dbraw/zinc/37/49/24/1037374924.db2.gz RGJFZZOCEXBDAN-PBHICJAKSA-N 1 2 351.878 2.567 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1CCc1cccc(OC)c1 ZINC001207426543 1037433656 /nfs/dbraw/zinc/43/36/56/1037433656.db2.gz DLXHRFWHWQUIRM-LJQANCHMSA-N 1 2 356.470 2.651 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1CCc1cccc(OC)c1 ZINC001207426543 1037433658 /nfs/dbraw/zinc/43/36/58/1037433658.db2.gz DLXHRFWHWQUIRM-LJQANCHMSA-N 1 2 356.470 2.651 20 30 FFEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]23CCN(Cc2cnoc2)C3=O)c1 ZINC001277487085 1037468601 /nfs/dbraw/zinc/46/86/01/1037468601.db2.gz DDILHMRGGYVRHI-IBGZPJMESA-N 1 2 370.840 2.967 20 30 FFEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]23CCN(Cc2cnoc2)C3=O)c1 ZINC001277487085 1037468613 /nfs/dbraw/zinc/46/86/13/1037468613.db2.gz DDILHMRGGYVRHI-IBGZPJMESA-N 1 2 370.840 2.967 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](CC(=O)Nc3cccc(C)c3)C[C@H]2C)CCC1 ZINC001207509905 1037506230 /nfs/dbraw/zinc/50/62/30/1037506230.db2.gz FRSMWHXDJRNHNV-IEBWSBKVSA-N 1 2 367.493 2.564 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](CC(=O)Nc3cccc(C)c3)C[C@H]2C)CCC1 ZINC001207509905 1037506245 /nfs/dbraw/zinc/50/62/45/1037506245.db2.gz FRSMWHXDJRNHNV-IEBWSBKVSA-N 1 2 367.493 2.564 20 30 FFEDLO CCCCCCCCOCC(=O)N[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1C ZINC001207559798 1037551995 /nfs/dbraw/zinc/55/19/95/1037551995.db2.gz FKGAJKLKTZDYBR-QZTJIDSGSA-N 1 2 364.534 2.734 20 30 FFEDLO CCCCCCCCOCC(=O)N[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1C ZINC001207559798 1037552006 /nfs/dbraw/zinc/55/20/06/1037552006.db2.gz FKGAJKLKTZDYBR-QZTJIDSGSA-N 1 2 364.534 2.734 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@@]12CC(=O)N(CC(F)F)C2 ZINC001277974679 1037801053 /nfs/dbraw/zinc/80/10/53/1037801053.db2.gz MZIQRHILAFBYLF-SFHVURJKSA-N 1 2 351.372 2.919 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@]12CC(=O)N(CC(F)F)C2 ZINC001277974679 1037801062 /nfs/dbraw/zinc/80/10/62/1037801062.db2.gz MZIQRHILAFBYLF-SFHVURJKSA-N 1 2 351.372 2.919 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C)s2)C[C@H]1C ZINC001208150605 1038089786 /nfs/dbraw/zinc/08/97/86/1038089786.db2.gz SJOXUQKLYPJTPL-SIIHOXLZSA-N 1 2 351.516 2.617 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)s2)C[C@H]1C ZINC001208150605 1038089805 /nfs/dbraw/zinc/08/98/05/1038089805.db2.gz SJOXUQKLYPJTPL-SIIHOXLZSA-N 1 2 351.516 2.617 20 30 FFEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)c(O)cc1F)CC2 ZINC001276566247 1038161591 /nfs/dbraw/zinc/16/15/91/1038161591.db2.gz MWFZHBQAMDYKEY-AWEZNQCLSA-N 1 2 350.409 2.965 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001208371399 1038259685 /nfs/dbraw/zinc/25/96/85/1038259685.db2.gz SUJZYIIDLHMHLY-IEBWSBKVSA-N 1 2 355.482 2.564 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001208371399 1038259694 /nfs/dbraw/zinc/25/96/94/1038259694.db2.gz SUJZYIIDLHMHLY-IEBWSBKVSA-N 1 2 355.482 2.564 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nnc(CC(C)C)o2)C[C@H]1C ZINC001208374729 1038263329 /nfs/dbraw/zinc/26/33/29/1038263329.db2.gz VAHGSROWJQUVQN-IXDOHACOSA-N 1 2 360.502 2.959 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nnc(CC(C)C)o2)C[C@H]1C ZINC001208374729 1038263339 /nfs/dbraw/zinc/26/33/39/1038263339.db2.gz VAHGSROWJQUVQN-IXDOHACOSA-N 1 2 360.502 2.959 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001208389100 1038277267 /nfs/dbraw/zinc/27/72/67/1038277267.db2.gz YCTXJLOEQWMHID-ZHALLVOQSA-N 1 2 357.498 2.972 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001208389100 1038277275 /nfs/dbraw/zinc/27/72/75/1038277275.db2.gz YCTXJLOEQWMHID-ZHALLVOQSA-N 1 2 357.498 2.972 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc(C(C)C)cc1O ZINC001237052384 1038426039 /nfs/dbraw/zinc/42/60/39/1038426039.db2.gz WBMPMVGNISBBDH-GOSISDBHSA-N 1 2 356.470 2.946 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc(C(C)C)cc1O ZINC001237052384 1038426042 /nfs/dbraw/zinc/42/60/42/1038426042.db2.gz WBMPMVGNISBBDH-GOSISDBHSA-N 1 2 356.470 2.946 20 30 FFEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)c(F)cc1Cl)CC2 ZINC001276575784 1038474624 /nfs/dbraw/zinc/47/46/24/1038474624.db2.gz NJTCKUZLEKSCMH-CYBMUJFWSA-N 1 2 352.812 2.970 20 30 FFEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC001256644568 1038589491 /nfs/dbraw/zinc/58/94/91/1038589491.db2.gz XKECBIAZZOZHLI-UYAOXDASSA-N 1 2 364.445 2.798 20 30 FFEDLO CC(C)CN1CCC2(CC[NH+](CC(=O)c3ccc(C#N)cc3)CC2)C1=O ZINC001276627279 1038732242 /nfs/dbraw/zinc/73/22/42/1038732242.db2.gz JYEKUNNICDZQEJ-UHFFFAOYSA-N 1 2 353.466 2.711 20 30 FFEDLO C=CC[NH+]1CCN(C[C@@H](O)COCc2c(Cl)cccc2Cl)CC1 ZINC001250900383 1038791355 /nfs/dbraw/zinc/79/13/55/1038791355.db2.gz JCGCYOZUEWXLMK-CQSZACIVSA-N 1 2 359.297 2.675 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2ccco2)C1 ZINC001209389915 1038814768 /nfs/dbraw/zinc/81/47/68/1038814768.db2.gz RBUOYCSHEFONKU-YWPYICTPSA-N 1 2 355.276 2.803 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2ccco2)C1 ZINC001209389915 1038814787 /nfs/dbraw/zinc/81/47/87/1038814787.db2.gz RBUOYCSHEFONKU-YWPYICTPSA-N 1 2 355.276 2.803 20 30 FFEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C(=O)OCC ZINC001257646068 1038912213 /nfs/dbraw/zinc/91/22/13/1038912213.db2.gz PSDCBPHAUXTCGT-YGTYGHESSA-N 1 2 352.475 2.872 20 30 FFEDLO Cn1cc[nH+]c1CCNC(=S)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001245810327 1039121086 /nfs/dbraw/zinc/12/10/86/1039121086.db2.gz WAEWRFLMPLOWCU-UHFFFAOYSA-N 1 2 353.373 2.840 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CCn1cccc1 ZINC001209713817 1039149941 /nfs/dbraw/zinc/14/99/41/1039149941.db2.gz TYTCOJNLKVMMID-DNVCBOLYSA-N 1 2 354.429 2.526 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CCn1cccc1 ZINC001209713817 1039149948 /nfs/dbraw/zinc/14/99/48/1039149948.db2.gz TYTCOJNLKVMMID-DNVCBOLYSA-N 1 2 354.429 2.526 20 30 FFEDLO CC[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC001258096119 1039170807 /nfs/dbraw/zinc/17/08/07/1039170807.db2.gz USTBPPMBWGURDW-IBGZPJMESA-N 1 2 369.490 2.843 20 30 FFEDLO CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC001258096119 1039170818 /nfs/dbraw/zinc/17/08/18/1039170818.db2.gz USTBPPMBWGURDW-IBGZPJMESA-N 1 2 369.490 2.843 20 30 FFEDLO N#CCc1cccc(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)c1 ZINC001278426782 1039214334 /nfs/dbraw/zinc/21/43/34/1039214334.db2.gz UEZKFBBEFDCHIO-UHFFFAOYSA-N 1 2 351.372 2.995 20 30 FFEDLO N#CCc1cccc(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)c1 ZINC001278426782 1039214344 /nfs/dbraw/zinc/21/43/44/1039214344.db2.gz UEZKFBBEFDCHIO-UHFFFAOYSA-N 1 2 351.372 2.995 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CC(=C)Br)C[C@H]2C)CCOCC1 ZINC001210660805 1039657026 /nfs/dbraw/zinc/65/70/26/1039657026.db2.gz VRAXSCBNGXXURW-UKRRQHHQSA-N 1 2 371.319 2.704 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](CC(=C)Br)C[C@H]2C)CCOCC1 ZINC001210660805 1039657032 /nfs/dbraw/zinc/65/70/32/1039657032.db2.gz VRAXSCBNGXXURW-UKRRQHHQSA-N 1 2 371.319 2.704 20 30 FFEDLO C#CC[C@H]([NH3+])c1nc(-c2ccc(S(=O)(=O)c3ccccc3)cc2)no1 ZINC001247609460 1039829582 /nfs/dbraw/zinc/82/95/82/1039829582.db2.gz IPJKZKDCWNJPLR-INIZCTEOSA-N 1 2 353.403 2.593 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[N@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001253236283 1040060636 /nfs/dbraw/zinc/06/06/36/1040060636.db2.gz RJFNETHPLSNOCX-AEFFLSMTSA-N 1 2 350.507 2.731 20 30 FFEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001253236283 1040060646 /nfs/dbraw/zinc/06/06/46/1040060646.db2.gz RJFNETHPLSNOCX-AEFFLSMTSA-N 1 2 350.507 2.731 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3snnc3C)C[C@H]2C)CCCCC1 ZINC001211410933 1040168357 /nfs/dbraw/zinc/16/83/57/1040168357.db2.gz PHOFRTCSBJZHQE-GDBMZVCRSA-N 1 2 360.527 2.757 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3snnc3C)C[C@H]2C)CCCCC1 ZINC001211410933 1040168365 /nfs/dbraw/zinc/16/83/65/1040168365.db2.gz PHOFRTCSBJZHQE-GDBMZVCRSA-N 1 2 360.527 2.757 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC001211427733 1040185342 /nfs/dbraw/zinc/18/53/42/1040185342.db2.gz NKZHDTZJWFFXBR-QLFBSQMISA-N 1 2 365.543 2.968 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC001211427733 1040185345 /nfs/dbraw/zinc/18/53/45/1040185345.db2.gz NKZHDTZJWFFXBR-QLFBSQMISA-N 1 2 365.543 2.968 20 30 FFEDLO C#CC[N@@H+](Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)CC1CC1 ZINC001253563033 1040241974 /nfs/dbraw/zinc/24/19/74/1040241974.db2.gz JVBLGLMZTAOLGM-UHFFFAOYSA-N 1 2 357.410 2.608 20 30 FFEDLO C#CC[N@H+](Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)CC1CC1 ZINC001253563033 1040241989 /nfs/dbraw/zinc/24/19/89/1040241989.db2.gz JVBLGLMZTAOLGM-UHFFFAOYSA-N 1 2 357.410 2.608 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2nc3ccccc3o2)C[C@H]1OC ZINC001213317823 1040442555 /nfs/dbraw/zinc/44/25/55/1040442555.db2.gz XGNRESYWVNMOKD-QGPMSJSTSA-N 1 2 357.454 2.746 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2nc3ccccc3o2)C[C@H]1OC ZINC001213317823 1040442564 /nfs/dbraw/zinc/44/25/64/1040442564.db2.gz XGNRESYWVNMOKD-QGPMSJSTSA-N 1 2 357.454 2.746 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2OC)CCC1 ZINC001213385400 1040499272 /nfs/dbraw/zinc/49/92/72/1040499272.db2.gz LTIQHDWEQICOQI-RTBURBONSA-N 1 2 353.466 2.620 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2OC)CCC1 ZINC001213385400 1040499284 /nfs/dbraw/zinc/49/92/84/1040499284.db2.gz LTIQHDWEQICOQI-RTBURBONSA-N 1 2 353.466 2.620 20 30 FFEDLO N#Cc1ccn2ncc(C[N@H+]3CC[C@H]4[C@H]3CC(=O)N4c3ccsc3)c2c1 ZINC001249099057 1040579594 /nfs/dbraw/zinc/57/95/94/1040579594.db2.gz JFAVWAFYWJEYOT-FUHWJXTLSA-N 1 2 363.446 2.647 20 30 FFEDLO N#Cc1ccn2ncc(C[N@@H+]3CC[C@H]4[C@H]3CC(=O)N4c3ccsc3)c2c1 ZINC001249099057 1040579605 /nfs/dbraw/zinc/57/96/05/1040579605.db2.gz JFAVWAFYWJEYOT-FUHWJXTLSA-N 1 2 363.446 2.647 20 30 FFEDLO Cc1nc(C#N)ccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001213481386 1040591583 /nfs/dbraw/zinc/59/15/83/1040591583.db2.gz DQEMWFKLJZNZKB-UHFFFAOYSA-N 1 2 356.401 2.855 20 30 FFEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cnc(C)nc1C(F)(F)F)CC2 ZINC001249398271 1040719154 /nfs/dbraw/zinc/71/91/54/1040719154.db2.gz NXOVWCVBSZKMPR-UHFFFAOYSA-N 1 2 368.403 2.947 20 30 FFEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1nc3cc(OC)ccc3[nH]1)C2 ZINC001249414104 1040737045 /nfs/dbraw/zinc/73/70/45/1040737045.db2.gz SAYZOECEDLLZAC-OXQOHEQNSA-N 1 2 357.454 2.898 20 30 FFEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1nc3cc(OC)ccc3[nH]1)C2 ZINC001249414104 1040737066 /nfs/dbraw/zinc/73/70/66/1040737066.db2.gz SAYZOECEDLLZAC-OXQOHEQNSA-N 1 2 357.454 2.898 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@H](C)CC(C)C ZINC001213710729 1040820738 /nfs/dbraw/zinc/82/07/38/1040820738.db2.gz CZIFUQLYNRMVDF-NSISKUIASA-N 1 2 357.498 2.946 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@H](C)CC(C)C ZINC001213710729 1040820744 /nfs/dbraw/zinc/82/07/44/1040820744.db2.gz CZIFUQLYNRMVDF-NSISKUIASA-N 1 2 357.498 2.946 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1OC ZINC001213771160 1040890715 /nfs/dbraw/zinc/89/07/15/1040890715.db2.gz UYMIHHFAOCXZBW-RTBURBONSA-N 1 2 362.518 2.851 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1OC ZINC001213771160 1040890728 /nfs/dbraw/zinc/89/07/28/1040890728.db2.gz UYMIHHFAOCXZBW-RTBURBONSA-N 1 2 362.518 2.851 20 30 FFEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)C(=O)OCC ZINC001254896181 1041034887 /nfs/dbraw/zinc/03/48/87/1041034887.db2.gz QNGHGEQZJKWCMY-YXTCSXCUSA-N 1 2 364.486 2.729 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccns2)C[C@H]1OC)c1ccccc1 ZINC001213899968 1041047843 /nfs/dbraw/zinc/04/78/43/1041047843.db2.gz OYNYLKBPXHQHAK-ATZDWAIDSA-N 1 2 371.506 2.818 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccns2)C[C@H]1OC)c1ccccc1 ZINC001213899968 1041047859 /nfs/dbraw/zinc/04/78/59/1041047859.db2.gz OYNYLKBPXHQHAK-ATZDWAIDSA-N 1 2 371.506 2.818 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1OC)c1ccccc1 ZINC001213900296 1041049030 /nfs/dbraw/zinc/04/90/30/1041049030.db2.gz WNZKXZGNJKPOQL-NSISKUIASA-N 1 2 369.465 2.658 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H]1OC)c1ccccc1 ZINC001213900296 1041049045 /nfs/dbraw/zinc/04/90/45/1041049045.db2.gz WNZKXZGNJKPOQL-NSISKUIASA-N 1 2 369.465 2.658 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@@H]3CCN(Cc4ccc(Cl)cc4O)[C@@H]3C2)cc1C#N ZINC001278558025 1041150247 /nfs/dbraw/zinc/15/02/47/1041150247.db2.gz RLUXIZCNFGLNCH-HNAYVOBHSA-N 1 2 370.884 2.962 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@@H]3CCN(Cc4ccc(Cl)cc4O)[C@@H]3C2)cc1C#N ZINC001278558025 1041150256 /nfs/dbraw/zinc/15/02/56/1041150256.db2.gz RLUXIZCNFGLNCH-HNAYVOBHSA-N 1 2 370.884 2.962 20 30 FFEDLO CCOC(=O)c1cc(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)nn1C ZINC001250552277 1041245582 /nfs/dbraw/zinc/24/55/82/1041245582.db2.gz WVHRHEGFANHZIR-SFHVURJKSA-N 1 2 368.437 2.512 20 30 FFEDLO CCOC(=O)c1cc(C[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)nn1C ZINC001250552277 1041245606 /nfs/dbraw/zinc/24/56/06/1041245606.db2.gz WVHRHEGFANHZIR-SFHVURJKSA-N 1 2 368.437 2.512 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C(C)C)o2)C1)OCC ZINC001214752618 1041561963 /nfs/dbraw/zinc/56/19/63/1041561963.db2.gz OVCTYHXEICXFGO-BZUAXINKSA-N 1 2 364.490 2.501 20 30 FFEDLO C[C@@H]1CCC(F)(F)CN1c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001262873377 1041918558 /nfs/dbraw/zinc/91/85/58/1041918558.db2.gz FYGXYMBFMXKJED-CYBMUJFWSA-N 1 2 352.433 2.532 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@H](CC#N)C2)n1C[C@@H]1CCCO1 ZINC001263461176 1042324470 /nfs/dbraw/zinc/32/44/70/1042324470.db2.gz OCFUHCWQKHXCDO-FGTMMUONSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@H](CC#N)C2)n1C[C@@H]1CCCO1 ZINC001263461176 1042324474 /nfs/dbraw/zinc/32/44/74/1042324474.db2.gz OCFUHCWQKHXCDO-FGTMMUONSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@@H+]1CCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCCO1 ZINC001263586930 1042387949 /nfs/dbraw/zinc/38/79/49/1042387949.db2.gz SZLYILDXUXKUEW-MSOLQXFVSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCCO1 ZINC001263586930 1042387954 /nfs/dbraw/zinc/38/79/54/1042387954.db2.gz SZLYILDXUXKUEW-MSOLQXFVSA-N 1 2 372.517 2.744 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nnc(C3CCC3)n2C)[C@@H]1CC ZINC001264060447 1042605030 /nfs/dbraw/zinc/60/50/30/1042605030.db2.gz BLZOGZIVNPJGJQ-ZWKOTPCHSA-N 1 2 371.529 2.745 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nnc(C3CCC3)n2C)[C@@H]1CC ZINC001264060447 1042605032 /nfs/dbraw/zinc/60/50/32/1042605032.db2.gz BLZOGZIVNPJGJQ-ZWKOTPCHSA-N 1 2 371.529 2.745 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@H+](Cc2nnc3n2CCCC3)[C@@H]1CC ZINC001264061071 1042606058 /nfs/dbraw/zinc/60/60/58/1042606058.db2.gz XHQNJOFTUCRXMN-IXDOHACOSA-N 1 2 359.518 2.686 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](Cc2nnc3n2CCCC3)[C@@H]1CC ZINC001264061071 1042606059 /nfs/dbraw/zinc/60/60/59/1042606059.db2.gz XHQNJOFTUCRXMN-IXDOHACOSA-N 1 2 359.518 2.686 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3CCC)CC[C@@H]2C1 ZINC001264094396 1042622669 /nfs/dbraw/zinc/62/26/69/1042622669.db2.gz GUETXIRHVPTDHJ-KSZLIROESA-N 1 2 359.518 2.571 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3CCC)CC[C@@H]2C1 ZINC001264094396 1042622672 /nfs/dbraw/zinc/62/26/72/1042622672.db2.gz GUETXIRHVPTDHJ-KSZLIROESA-N 1 2 359.518 2.571 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2nc3ccccc3n2C)[C@@H]1C ZINC001264134506 1042630686 /nfs/dbraw/zinc/63/06/86/1042630686.db2.gz OOQMBCAEBOBXOY-IKGGRYGDSA-N 1 2 370.497 2.634 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2nc3ccccc3n2C)[C@@H]1C ZINC001264134506 1042630690 /nfs/dbraw/zinc/63/06/90/1042630690.db2.gz OOQMBCAEBOBXOY-IKGGRYGDSA-N 1 2 370.497 2.634 20 30 FFEDLO Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)[C@H]1C ZINC001264140523 1042634544 /nfs/dbraw/zinc/63/45/44/1042634544.db2.gz JCXMJQXTQLTEGG-HIFRSBDPSA-N 1 2 350.894 2.510 20 30 FFEDLO Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)[C@H]1C ZINC001264140523 1042634546 /nfs/dbraw/zinc/63/45/46/1042634546.db2.gz JCXMJQXTQLTEGG-HIFRSBDPSA-N 1 2 350.894 2.510 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CCC2CCOCC2)[C@H]1C ZINC001264163653 1042646127 /nfs/dbraw/zinc/64/61/27/1042646127.db2.gz UDDLOWWLIZAYKC-HIFRSBDPSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CCC2CCOCC2)[C@H]1C ZINC001264163653 1042646129 /nfs/dbraw/zinc/64/61/29/1042646129.db2.gz UDDLOWWLIZAYKC-HIFRSBDPSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2OCCOC)[C@H]1C ZINC001264173702 1042652978 /nfs/dbraw/zinc/65/29/78/1042652978.db2.gz CHFIWIXUTFWPLY-ZBFHGGJFSA-N 1 2 352.862 2.657 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2OCCOC)[C@H]1C ZINC001264173702 1042652980 /nfs/dbraw/zinc/65/29/80/1042652980.db2.gz CHFIWIXUTFWPLY-ZBFHGGJFSA-N 1 2 352.862 2.657 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nc(C)no2)C[C@H]1c1ccccc1 ZINC001264446686 1042674884 /nfs/dbraw/zinc/67/48/84/1042674884.db2.gz HTGSUYXLYAFYSQ-RBUKOAKNSA-N 1 2 366.465 2.656 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(C)no2)C[C@H]1c1ccccc1 ZINC001264446686 1042674885 /nfs/dbraw/zinc/67/48/85/1042674885.db2.gz HTGSUYXLYAFYSQ-RBUKOAKNSA-N 1 2 366.465 2.656 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CC[N@H+](Cc2ncnn2C(C)(C)C)[C@@H]1CC ZINC001264605158 1042739785 /nfs/dbraw/zinc/73/97/85/1042739785.db2.gz VAHUZGBLDNUYJL-DLBZAZTESA-N 1 2 359.518 2.696 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CC[N@@H+](Cc2ncnn2C(C)(C)C)[C@@H]1CC ZINC001264605158 1042739787 /nfs/dbraw/zinc/73/97/87/1042739787.db2.gz VAHUZGBLDNUYJL-DLBZAZTESA-N 1 2 359.518 2.696 20 30 FFEDLO CCc1ccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C#CC3CC3)[C@H]2CC)cc1 ZINC001264608279 1042741363 /nfs/dbraw/zinc/74/13/63/1042741363.db2.gz YBRXYXIQURPMGZ-VQTJNVASSA-N 1 2 367.493 2.570 20 30 FFEDLO CCc1ccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C#CC3CC3)[C@H]2CC)cc1 ZINC001264608279 1042741369 /nfs/dbraw/zinc/74/13/69/1042741369.db2.gz YBRXYXIQURPMGZ-VQTJNVASSA-N 1 2 367.493 2.570 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nc(-c3cccc(C)c3)no2)[C@@H]1C ZINC001264696797 1042784435 /nfs/dbraw/zinc/78/44/35/1042784435.db2.gz CVVZULAZSZRASY-AEFFLSMTSA-N 1 2 366.465 2.928 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(-c3cccc(C)c3)no2)[C@@H]1C ZINC001264696797 1042784440 /nfs/dbraw/zinc/78/44/40/1042784440.db2.gz CVVZULAZSZRASY-AEFFLSMTSA-N 1 2 366.465 2.928 20 30 FFEDLO Cc1ncsc1CN1CCO[C@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001279372920 1043034090 /nfs/dbraw/zinc/03/40/90/1043034090.db2.gz MNXMFTOLKHRZJU-MSOLQXFVSA-N 1 2 372.469 2.548 20 30 FFEDLO Cc1ncsc1CN1CCO[C@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001279372920 1043034095 /nfs/dbraw/zinc/03/40/95/1043034095.db2.gz MNXMFTOLKHRZJU-MSOLQXFVSA-N 1 2 372.469 2.548 20 30 FFEDLO CN1CCO[C@@]2(CCC[N@H+](Cc3ccc(C#N)cc3Br)C2)C1 ZINC001279395292 1043051490 /nfs/dbraw/zinc/05/14/90/1043051490.db2.gz HJMYBDFWIFACQG-KRWDZBQOSA-N 1 2 364.287 2.617 20 30 FFEDLO CN1CCO[C@@]2(CCC[N@@H+](Cc3ccc(C#N)cc3Br)C2)C1 ZINC001279395292 1043051498 /nfs/dbraw/zinc/05/14/98/1043051498.db2.gz HJMYBDFWIFACQG-KRWDZBQOSA-N 1 2 364.287 2.617 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)ccc1F ZINC001279525021 1043223795 /nfs/dbraw/zinc/22/37/95/1043223795.db2.gz ZSXSYLOWPYQTBR-GASCZTMLSA-N 1 2 370.453 2.951 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)ccc1F ZINC001279525021 1043223798 /nfs/dbraw/zinc/22/37/98/1043223798.db2.gz ZSXSYLOWPYQTBR-GASCZTMLSA-N 1 2 370.453 2.951 20 30 FFEDLO C[C@](O)(C1CC[NH+](Cc2cn3cc(C#N)ccc3n2)CC1)C(F)(F)F ZINC001237605861 1043265727 /nfs/dbraw/zinc/26/57/27/1043265727.db2.gz FBOYSQYTYMGCCI-INIZCTEOSA-N 1 2 352.360 2.731 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2cn3cc(C#N)ccc3n2)Cc2cn(CC)nc21 ZINC001237606602 1043265923 /nfs/dbraw/zinc/26/59/23/1043265923.db2.gz UWVBYFUGYTZZNL-KRWDZBQOSA-N 1 2 364.453 2.558 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2cn3cc(C#N)ccc3n2)Cc2cn(CC)nc21 ZINC001237606602 1043265936 /nfs/dbraw/zinc/26/59/36/1043265936.db2.gz UWVBYFUGYTZZNL-KRWDZBQOSA-N 1 2 364.453 2.558 20 30 FFEDLO CC(C)(C)OC(=O)NCCC1C[NH+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237606834 1043266587 /nfs/dbraw/zinc/26/65/87/1043266587.db2.gz PACSGUIRCALRCR-UHFFFAOYSA-N 1 2 355.442 2.553 20 30 FFEDLO COc1cccnc1O[C@@H]1CCC[N@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237611169 1043269702 /nfs/dbraw/zinc/26/97/02/1043269702.db2.gz NRWZAFRASBNQLQ-QGZVFWFLSA-N 1 2 363.421 2.653 20 30 FFEDLO COc1cccnc1O[C@@H]1CCC[N@@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237611169 1043269711 /nfs/dbraw/zinc/26/97/11/1043269711.db2.gz NRWZAFRASBNQLQ-QGZVFWFLSA-N 1 2 363.421 2.653 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC001278184453 1043516748 /nfs/dbraw/zinc/51/67/48/1043516748.db2.gz MPZDLCLEZOURRL-UKHAXTBBSA-N 1 2 371.308 2.799 20 30 FFEDLO N#Cc1cc(C[NH+]2CCC(N3CCCCS3(=O)=O)CC2)ccc1Cl ZINC001238196542 1043603695 /nfs/dbraw/zinc/60/36/95/1043603695.db2.gz SSXUWXSJIWHUID-UHFFFAOYSA-N 1 2 367.902 2.602 20 30 FFEDLO N#Cc1ccc(F)c(N2C[C@@H]3C[N@@H+](CCCC(F)(F)F)C[C@H](C2)O3)c1 ZINC001279767288 1043611366 /nfs/dbraw/zinc/61/13/66/1043611366.db2.gz QJMWXDSJSUCENZ-OKILXGFUSA-N 1 2 357.351 2.929 20 30 FFEDLO N#Cc1ccc(F)c(N2C[C@@H]3C[N@H+](CCCC(F)(F)F)C[C@H](C2)O3)c1 ZINC001279767288 1043611370 /nfs/dbraw/zinc/61/13/70/1043611370.db2.gz QJMWXDSJSUCENZ-OKILXGFUSA-N 1 2 357.351 2.929 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc(C#N)c(OC)c1)CC2 ZINC001238405945 1043689259 /nfs/dbraw/zinc/68/92/59/1043689259.db2.gz LAWRFBCKYOEDPY-UHFFFAOYSA-N 1 2 352.438 2.561 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc(C#N)c(OC)c1)CC2 ZINC001238405945 1043689266 /nfs/dbraw/zinc/68/92/66/1043689266.db2.gz LAWRFBCKYOEDPY-UHFFFAOYSA-N 1 2 352.438 2.561 20 30 FFEDLO CCc1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)ccc1C#N ZINC001238768222 1043882889 /nfs/dbraw/zinc/88/28/89/1043882889.db2.gz HPSHFHURWYEAAF-IBGZPJMESA-N 1 2 373.497 2.924 20 30 FFEDLO CCc1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)ccc1C#N ZINC001238768222 1043882911 /nfs/dbraw/zinc/88/29/11/1043882911.db2.gz HPSHFHURWYEAAF-IBGZPJMESA-N 1 2 373.497 2.924 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(-c2cccn2C)n1CCCNc1cccc[nH+]1 ZINC001538995297 1070533144 /nfs/dbraw/zinc/53/31/44/1070533144.db2.gz LUASBQUJOLTEQX-MRXNPFEDSA-N 1 2 363.469 2.639 20 30 FFEDLO C=CCCC(C)(C)NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001312046588 1044025224 /nfs/dbraw/zinc/02/52/24/1044025224.db2.gz KUMZUWOZZABSMH-LJQANCHMSA-N 1 2 359.514 2.974 20 30 FFEDLO CCCCCCC[C@H](C)NC(=O)N1C[C@H]2C[C@H](C(=O)OCC)[NH2+][C@H]2C1 ZINC001239281363 1044092184 /nfs/dbraw/zinc/09/21/84/1044092184.db2.gz RZFNVPVCNBVDCS-HZMVEIRTSA-N 1 2 353.507 2.670 20 30 FFEDLO C[C@@H](C[N@@H+]1CCc2cc(C(=O)NC3(C#N)CCC3)[nH]c2C1)C(F)(F)F ZINC001280066235 1044158345 /nfs/dbraw/zinc/15/83/45/1044158345.db2.gz FGYQYYCZFJHDLC-NSHDSACASA-N 1 2 354.376 2.747 20 30 FFEDLO C[C@@H](C[N@H+]1CCc2cc(C(=O)NC3(C#N)CCC3)[nH]c2C1)C(F)(F)F ZINC001280066235 1044158348 /nfs/dbraw/zinc/15/83/48/1044158348.db2.gz FGYQYYCZFJHDLC-NSHDSACASA-N 1 2 354.376 2.747 20 30 FFEDLO CSc1ncc(C)cc1C[NH+]1CC2(CN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280182600 1044364551 /nfs/dbraw/zinc/36/45/51/1044364551.db2.gz WFODRNZHWCXGKS-UHFFFAOYSA-N 1 2 367.522 2.640 20 30 FFEDLO CSc1ncc(C)cc1CN1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001280182600 1044364564 /nfs/dbraw/zinc/36/45/64/1044364564.db2.gz WFODRNZHWCXGKS-UHFFFAOYSA-N 1 2 367.522 2.640 20 30 FFEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1C#N ZINC001241532364 1044538630 /nfs/dbraw/zinc/53/86/30/1044538630.db2.gz BDCFLRKHJKVRIW-HZHRSRAPSA-N 1 2 362.433 2.919 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3cccc(F)c3CC#N)cn2)CC1 ZINC001241567974 1044552002 /nfs/dbraw/zinc/55/20/02/1044552002.db2.gz JCTIBRIYLAWXEM-UHFFFAOYSA-N 1 2 353.445 2.613 20 30 FFEDLO COc1cc(C[NH+]2CC3(CN(Cc4scnc4C)C3)C2)ccc1C#N ZINC001280316581 1044597110 /nfs/dbraw/zinc/59/71/10/1044597110.db2.gz YWMLOZBXQNPXEQ-UHFFFAOYSA-N 1 2 354.479 2.650 20 30 FFEDLO C=CCCCC(=O)N[C@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001281332995 1044882370 /nfs/dbraw/zinc/88/23/70/1044882370.db2.gz AEDQNBJYARFVCP-DJIMGWMZSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCCCC(=O)N[C@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001281332995 1044882386 /nfs/dbraw/zinc/88/23/86/1044882386.db2.gz AEDQNBJYARFVCP-DJIMGWMZSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3CCC)CC[C@@H]2C1 ZINC001316754497 1044908176 /nfs/dbraw/zinc/90/81/76/1044908176.db2.gz VVYZUKPFKLHWOJ-MOPGFXCFSA-N 1 2 371.529 2.737 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3CCC)CC[C@@H]2C1 ZINC001316754497 1044908178 /nfs/dbraw/zinc/90/81/78/1044908178.db2.gz VVYZUKPFKLHWOJ-MOPGFXCFSA-N 1 2 371.529 2.737 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[N@@H+](Cc3nn(C)cc3Cl)CC[C@@H]2C1 ZINC001316756166 1044911295 /nfs/dbraw/zinc/91/12/95/1044911295.db2.gz SSXALAWZZNFQBL-OAGGEKHMSA-N 1 2 364.921 2.956 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[N@H+](Cc3nn(C)cc3Cl)CC[C@@H]2C1 ZINC001316756166 1044911298 /nfs/dbraw/zinc/91/12/98/1044911298.db2.gz SSXALAWZZNFQBL-OAGGEKHMSA-N 1 2 364.921 2.956 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@H+](Cc4cnn(C)n4)CC[C@@H]3C2)CCCCC1 ZINC001316761043 1044923307 /nfs/dbraw/zinc/92/33/07/1044923307.db2.gz SOOBFZFSLSBCRJ-MSOLQXFVSA-N 1 2 371.529 2.622 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnn(C)n4)CC[C@@H]3C2)CCCCC1 ZINC001316761043 1044923321 /nfs/dbraw/zinc/92/33/21/1044923321.db2.gz SOOBFZFSLSBCRJ-MSOLQXFVSA-N 1 2 371.529 2.622 20 30 FFEDLO N#CCc1cnc(F)c(-c2ccc(OCC[NH+]3CCOCC3)cc2F)c1 ZINC001244138123 1045090085 /nfs/dbraw/zinc/09/00/85/1045090085.db2.gz KQDYOFKXJMVOGR-UHFFFAOYSA-N 1 2 359.376 2.804 20 30 FFEDLO COCC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001281776289 1045112536 /nfs/dbraw/zinc/11/25/36/1045112536.db2.gz LDOWPDDANYSPCI-BHDDXSALSA-N 1 2 366.505 2.788 20 30 FFEDLO COCC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001281776289 1045112542 /nfs/dbraw/zinc/11/25/42/1045112542.db2.gz LDOWPDDANYSPCI-BHDDXSALSA-N 1 2 366.505 2.788 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001319472519 1045161859 /nfs/dbraw/zinc/16/18/59/1045161859.db2.gz JVNUTSIJOJZVAB-PKOBYXMFSA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001319472519 1045161862 /nfs/dbraw/zinc/16/18/62/1045161862.db2.gz JVNUTSIJOJZVAB-PKOBYXMFSA-N 1 2 373.453 2.730 20 30 FFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(CC#N)cc2)[C@H]1c1ccc(F)cc1 ZINC001319571485 1045199123 /nfs/dbraw/zinc/19/91/23/1045199123.db2.gz HKQJSCSDRQEHFH-RBUKOAKNSA-N 1 2 373.453 2.615 20 30 FFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(CC#N)cc2)[C@H]1c1ccc(F)cc1 ZINC001319571485 1045199125 /nfs/dbraw/zinc/19/91/25/1045199125.db2.gz HKQJSCSDRQEHFH-RBUKOAKNSA-N 1 2 373.453 2.615 20 30 FFEDLO C=C[C@@H](COC)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC001320432983 1045407517 /nfs/dbraw/zinc/40/75/17/1045407517.db2.gz JAUUZEGLFXPQLJ-JKSUJKDBSA-N 1 2 367.287 2.903 20 30 FFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)c2ccc(CCC#N)cc2)C1 ZINC001331670049 1048051395 /nfs/dbraw/zinc/05/13/95/1048051395.db2.gz STGWYTNYBPHVRJ-QGZVFWFLSA-N 1 2 372.494 2.520 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC001290634990 1048266579 /nfs/dbraw/zinc/26/65/79/1048266579.db2.gz JSMZSDCJGNWHLY-WBVHZDCISA-N 1 2 368.481 2.964 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001292180723 1049164777 /nfs/dbraw/zinc/16/47/77/1049164777.db2.gz VCKIKJOXDUNNOS-ZACQAIPSSA-N 1 2 366.465 2.717 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001292294195 1049253941 /nfs/dbraw/zinc/25/39/41/1049253941.db2.gz YPBNQHDSBBOFFT-RXVVDRJESA-N 1 2 370.497 2.539 20 30 FFEDLO COC(=O)C1(C2(O)CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)CCC1 ZINC001334724266 1049547836 /nfs/dbraw/zinc/54/78/36/1049547836.db2.gz LNHWYSWCFDUISV-UHFFFAOYSA-N 1 2 362.857 2.882 20 30 FFEDLO C=CCn1c(N(Cc2ccccc2)C(C)C)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339857738 1050274533 /nfs/dbraw/zinc/27/45/33/1050274533.db2.gz YDOFUVLZDXYWRC-NQIIRXRSSA-N 1 2 369.513 2.791 20 30 FFEDLO C=CCn1c(N(Cc2ccccc2)C(C)C)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339857738 1050274546 /nfs/dbraw/zinc/27/45/46/1050274546.db2.gz YDOFUVLZDXYWRC-NQIIRXRSSA-N 1 2 369.513 2.791 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C3CCCC3)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339857718 1050274675 /nfs/dbraw/zinc/27/46/75/1050274675.db2.gz XVMDANOBSBKLKO-UEXGIBASSA-N 1 2 373.545 2.782 20 30 FFEDLO C=CCn1c(N2CCC[C@H](C3CCCC3)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339857718 1050274680 /nfs/dbraw/zinc/27/46/80/1050274680.db2.gz XVMDANOBSBKLKO-UEXGIBASSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@@H]3CCC[C@@H]32)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001341837541 1050448374 /nfs/dbraw/zinc/44/83/74/1050448374.db2.gz FZAQLRBFANIPNG-OGNFBWPZSA-N 1 2 359.518 2.535 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@@H]3CCC[C@@H]32)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001341837541 1050448380 /nfs/dbraw/zinc/44/83/80/1050448380.db2.gz FZAQLRBFANIPNG-OGNFBWPZSA-N 1 2 359.518 2.535 20 30 FFEDLO C=C(C)Cn1c(N(C)c2cccc(C)c2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001341839437 1050451439 /nfs/dbraw/zinc/45/14/39/1050451439.db2.gz NWZQMFWWRZJNTC-XLIONFOSSA-N 1 2 355.486 2.842 20 30 FFEDLO C=C(C)Cn1c(N(C)c2cccc(C)c2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001341839437 1050451444 /nfs/dbraw/zinc/45/14/44/1050451444.db2.gz NWZQMFWWRZJNTC-XLIONFOSSA-N 1 2 355.486 2.842 20 30 FFEDLO C=C(C)Cn1c(Nc2ccn(CC)n2)nnc1C1CC[NH+](CCC#N)CC1 ZINC001341906898 1050507295 /nfs/dbraw/zinc/50/72/95/1050507295.db2.gz HHYNSSBWCLXVHC-UHFFFAOYSA-N 1 2 368.489 2.907 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC(F)(F)CC1 ZINC001340195510 1050604437 /nfs/dbraw/zinc/60/44/37/1050604437.db2.gz MBOOMEPHNDCYFC-GJZGRUSLSA-N 1 2 367.444 2.625 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC(F)(F)CC1 ZINC001340195510 1050604438 /nfs/dbraw/zinc/60/44/38/1050604438.db2.gz MBOOMEPHNDCYFC-GJZGRUSLSA-N 1 2 367.444 2.625 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@@H](C)CCSC ZINC001342018123 1050615421 /nfs/dbraw/zinc/61/54/21/1050615421.db2.gz ALJJZDLVDKFTNN-JKSUJKDBSA-N 1 2 367.563 2.824 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@@H](C)CCSC ZINC001342018123 1050615428 /nfs/dbraw/zinc/61/54/28/1050615428.db2.gz ALJJZDLVDKFTNN-JKSUJKDBSA-N 1 2 367.563 2.824 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N(Cc1cccc(F)c1)C(C)C ZINC001342061450 1050658007 /nfs/dbraw/zinc/65/80/07/1050658007.db2.gz HPWWJMMPQKJPQQ-ZWKOTPCHSA-N 1 2 373.476 2.756 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N(Cc1cccc(F)c1)C(C)C ZINC001342061450 1050658015 /nfs/dbraw/zinc/65/80/15/1050658015.db2.gz HPWWJMMPQKJPQQ-ZWKOTPCHSA-N 1 2 373.476 2.756 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(Cc1cccc(F)c1)C1CC1 ZINC001342062307 1050659564 /nfs/dbraw/zinc/65/95/64/1050659564.db2.gz SNVWYWUXBBLTIW-QZTJIDSGSA-N 1 2 371.460 2.510 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(Cc1cccc(F)c1)C1CC1 ZINC001342062307 1050659572 /nfs/dbraw/zinc/65/95/72/1050659572.db2.gz SNVWYWUXBBLTIW-QZTJIDSGSA-N 1 2 371.460 2.510 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001340449731 1050842883 /nfs/dbraw/zinc/84/28/83/1050842883.db2.gz LKLPIPVSFPJKGD-MOPGFXCFSA-N 1 2 373.545 2.685 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@H](C)C2(CCC2)C1 ZINC001340450774 1050844457 /nfs/dbraw/zinc/84/44/57/1050844457.db2.gz SQISKSLQGPMQIN-KRWDZBQOSA-N 1 2 373.545 2.685 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001342305586 1050901078 /nfs/dbraw/zinc/90/10/78/1050901078.db2.gz BKBOUSRVCZTOIQ-CALCHBBNSA-N 1 2 354.502 2.649 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@@H](C#N)C1 ZINC001342343795 1050938406 /nfs/dbraw/zinc/93/84/06/1050938406.db2.gz LKGLLAPCEKLAIW-KSZLIROESA-N 1 2 370.501 2.520 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@@H](C#N)C1 ZINC001342343795 1050938417 /nfs/dbraw/zinc/93/84/17/1050938417.db2.gz LKGLLAPCEKLAIW-KSZLIROESA-N 1 2 370.501 2.520 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1Cc2cccc(Cl)c2C1 ZINC001342416076 1051011559 /nfs/dbraw/zinc/01/15/59/1051011559.db2.gz PIOAMBOJNGDWMB-UHFFFAOYSA-N 1 2 354.845 2.962 20 30 FFEDLO C=CCn1c(N2CC(C)(C)CC(C)(C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340699979 1051064964 /nfs/dbraw/zinc/06/49/64/1051064964.db2.gz AHJIAZIAUAJCJI-FOIQADDNSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CC(C)(C)CC(C)(C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340699979 1051064974 /nfs/dbraw/zinc/06/49/74/1051064974.db2.gz AHJIAZIAUAJCJI-FOIQADDNSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC001340732921 1051091075 /nfs/dbraw/zinc/09/10/75/1051091075.db2.gz KUUQACPBDWLRHL-IRXDYDNUSA-N 1 2 370.501 2.574 20 30 FFEDLO C=C(C)Cn1c(N(C)c2ccc(C)cc2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001342522359 1051125204 /nfs/dbraw/zinc/12/52/04/1051125204.db2.gz LIUZVQMQMJZSPZ-PXNSSMCTSA-N 1 2 355.486 2.842 20 30 FFEDLO C=C(C)Cn1c(N(C)c2ccc(C)cc2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001342522359 1051125209 /nfs/dbraw/zinc/12/52/09/1051125209.db2.gz LIUZVQMQMJZSPZ-PXNSSMCTSA-N 1 2 355.486 2.842 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC([C@@H]3c4ccccc4NC3=O)CC2)cc1 ZINC001340785156 1051132177 /nfs/dbraw/zinc/13/21/77/1051132177.db2.gz FFZRAAQTAMMKNJ-WOJBJXKFSA-N 1 2 374.444 2.533 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(OC(C)C)CC1 ZINC001340909858 1051238145 /nfs/dbraw/zinc/23/81/45/1051238145.db2.gz JLUFGZXSNOGKPB-UHFFFAOYSA-N 1 2 374.533 2.785 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@](OC)(C(F)(F)F)C1 ZINC001342673659 1051284463 /nfs/dbraw/zinc/28/44/63/1051284463.db2.gz LFTILQAMWUHNLK-XJKSGUPXSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@](OC)(C(F)(F)F)C1 ZINC001342673659 1051284475 /nfs/dbraw/zinc/28/44/75/1051284475.db2.gz LFTILQAMWUHNLK-XJKSGUPXSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCC1(O)CCN(c2nnc(C[NH+]3CCCCC3)n2CC(C)C)CC1 ZINC001342760006 1051376034 /nfs/dbraw/zinc/37/60/34/1051376034.db2.gz HPPOVKPNOGWLJL-UHFFFAOYSA-N 1 2 361.534 2.827 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc([C@H]2CCCC[N@@H+]2C)n1CCCOCC ZINC001343117226 1051736433 /nfs/dbraw/zinc/73/64/33/1051736433.db2.gz ARURVOJCXALROQ-ZWKOTPCHSA-N 1 2 359.518 2.854 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc([C@H]2CCCC[N@H+]2C)n1CCCOCC ZINC001343117226 1051736442 /nfs/dbraw/zinc/73/64/42/1051736442.db2.gz ARURVOJCXALROQ-ZWKOTPCHSA-N 1 2 359.518 2.854 20 30 FFEDLO C=CCC[C@H]1CCCN1c1nnc(C[NH+]2CCCC2)n1C[C@@H]1CCCO1 ZINC001343127269 1051747408 /nfs/dbraw/zinc/74/74/08/1051747408.db2.gz UAJQQFCZFQOHJX-ROUUACIJSA-N 1 2 359.518 2.988 20 30 FFEDLO C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC[N@H+]3C)n2Cc2ccccc2)C1 ZINC001341419456 1051777233 /nfs/dbraw/zinc/77/72/33/1051777233.db2.gz YRGWPAJOFIKGRW-RTBURBONSA-N 1 2 367.497 2.874 20 30 FFEDLO C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC[N@@H+]3C)n2Cc2ccccc2)C1 ZINC001341419456 1051777244 /nfs/dbraw/zinc/77/72/44/1051777244.db2.gz YRGWPAJOFIKGRW-RTBURBONSA-N 1 2 367.497 2.874 20 30 FFEDLO C=CCO[C@H]1CCN(c2nnc([C@H]3CCC[N@H+]3C)n2Cc2ccccc2)C1 ZINC001341419409 1051777574 /nfs/dbraw/zinc/77/75/74/1051777574.db2.gz YRGWPAJOFIKGRW-RBUKOAKNSA-N 1 2 367.497 2.874 20 30 FFEDLO C=CCO[C@H]1CCN(c2nnc([C@H]3CCC[N@@H+]3C)n2Cc2ccccc2)C1 ZINC001341419409 1051777578 /nfs/dbraw/zinc/77/75/78/1051777578.db2.gz YRGWPAJOFIKGRW-RBUKOAKNSA-N 1 2 367.497 2.874 20 30 FFEDLO C=CCCC(=O)N1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1CC ZINC001344883297 1052098838 /nfs/dbraw/zinc/09/88/38/1052098838.db2.gz AIVUBMMHCBANDM-RBUKOAKNSA-N 1 2 366.465 2.948 20 30 FFEDLO N#CCCN(CC1CC1)c1nnc(C[NH+]2CCCCC2)n1C[C@@H]1CCCO1 ZINC001343265916 1052117377 /nfs/dbraw/zinc/11/73/77/1052117377.db2.gz QRSFYQIICXKSTF-SFHVURJKSA-N 1 2 372.517 2.573 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCC3(F)F)n2CC(C)C)CC1 ZINC001343608603 1052334872 /nfs/dbraw/zinc/33/48/72/1052334872.db2.gz RPYYXCKMTJWHTD-OAHLLOKOSA-N 1 2 351.445 2.592 20 30 FFEDLO C=C(C)Cn1c([C@H](O)CC(C)C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001343747790 1052400602 /nfs/dbraw/zinc/40/06/02/1052400602.db2.gz FUYJRGLTARLEID-QGZVFWFLSA-N 1 2 370.501 2.655 20 30 FFEDLO COc1cc(C#N)ccc1C[NH+]1CCC(n2c(=O)[nH]c3cccnc32)CC1 ZINC001308079359 1052401230 /nfs/dbraw/zinc/40/12/30/1052401230.db2.gz HGSDRUFSYOGYTA-UHFFFAOYSA-N 1 2 363.421 2.854 20 30 FFEDLO C=CCC[C@H]1CCCN1c1nnc(Cc2[nH+]ccn2C)n1C[C@@H]1CCOC1 ZINC001345427595 1052440245 /nfs/dbraw/zinc/44/02/45/1052440245.db2.gz NYHHNXUAJKKCCD-IRXDYDNUSA-N 1 2 370.501 2.574 20 30 FFEDLO N#CC1(C[NH2+]Cc2cccc(F)c2I)CCOCC1 ZINC001308548802 1052467709 /nfs/dbraw/zinc/46/77/09/1052467709.db2.gz IEDUPYPELNKHAK-UHFFFAOYSA-N 1 2 374.197 2.840 20 30 FFEDLO CC(C)c1ocnc1C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001345548203 1052502849 /nfs/dbraw/zinc/50/28/49/1052502849.db2.gz RPRHHJFPSKKPJG-UHFFFAOYSA-N 1 2 374.462 2.900 20 30 FFEDLO Cc1[nH]c(C#N)cc1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC001344099368 1052594522 /nfs/dbraw/zinc/59/45/22/1052594522.db2.gz OTDIIWMGZYLVAZ-UHFFFAOYSA-N 1 2 351.454 2.660 20 30 FFEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)Oc2cc(Cl)ccc2C#N)C1 ZINC001309305272 1052596167 /nfs/dbraw/zinc/59/61/67/1052596167.db2.gz OQSHQATYGZMMEJ-UHFFFAOYSA-N 1 2 362.838 2.967 20 30 FFEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)Oc2cc(Cl)ccc2C#N)C1 ZINC001309305272 1052596174 /nfs/dbraw/zinc/59/61/74/1052596174.db2.gz OQSHQATYGZMMEJ-UHFFFAOYSA-N 1 2 362.838 2.967 20 30 FFEDLO CN(c1nnc(C[NH+]2CCCCC2)n1C[C@@H]1CCCO1)[C@H]1CCC[C@@H]1C#N ZINC001344118001 1052607298 /nfs/dbraw/zinc/60/72/98/1052607298.db2.gz JLUOZBVBXYWJSW-SQNIBIBYSA-N 1 2 372.517 2.571 20 30 FFEDLO Cn1c[nH+]cc1C1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC001345852012 1052642634 /nfs/dbraw/zinc/64/26/34/1052642634.db2.gz IBUXHCWKPPCDRF-UHFFFAOYSA-N 1 2 368.441 2.909 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001344275158 1052675595 /nfs/dbraw/zinc/67/55/95/1052675595.db2.gz AKCNXBMRTLHODK-IXDOHACOSA-N 1 2 360.502 2.838 20 30 FFEDLO C=C(C)CN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@@H]1CCCO1 ZINC001347815020 1054349211 /nfs/dbraw/zinc/34/92/11/1054349211.db2.gz TWTBNYUTFNUDKK-SFHVURJKSA-N 1 2 372.517 2.562 20 30 FFEDLO CCNc1cc(CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc[nH+]1 ZINC001347913384 1054452938 /nfs/dbraw/zinc/45/29/38/1054452938.db2.gz BQFNTWVGKRIMNI-GOSISDBHSA-N 1 2 365.437 2.668 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)cc1 ZINC001337339977 1054670626 /nfs/dbraw/zinc/67/06/26/1054670626.db2.gz FWQPQLIXCQGSGM-ICSRJNTNSA-N 1 2 362.408 2.553 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1ccoc1 ZINC001356083137 1055273483 /nfs/dbraw/zinc/27/34/83/1055273483.db2.gz SYOMEXZETAAAMV-UHFFFAOYSA-N 1 2 354.458 2.787 20 30 FFEDLO COC(=O)/C=C/c1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)o1 ZINC000848882179 1055295979 /nfs/dbraw/zinc/29/59/79/1055295979.db2.gz MLNAZAMCCOFEPH-BQYQJAHWSA-N 1 2 369.396 2.799 20 30 FFEDLO C=CCn1c([C@H](C)C(C)C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001356177787 1055359299 /nfs/dbraw/zinc/35/92/99/1055359299.db2.gz IBCRHLFDSFWIHL-MRXNPFEDSA-N 1 2 358.490 2.842 20 30 FFEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001356545661 1055569344 /nfs/dbraw/zinc/56/93/44/1055569344.db2.gz ZVXKMZBOCRBJDL-XHDPSFHLSA-N 1 2 361.243 2.736 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001356983030 1055737037 /nfs/dbraw/zinc/73/70/37/1055737037.db2.gz XQRSMWQEVMKLFY-SMLCLMEVSA-N 1 2 358.486 2.659 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001356983030 1055737046 /nfs/dbraw/zinc/73/70/46/1055737046.db2.gz XQRSMWQEVMKLFY-SMLCLMEVSA-N 1 2 358.486 2.659 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001357152676 1055797679 /nfs/dbraw/zinc/79/76/79/1055797679.db2.gz QGEWUUOLTHGHAO-QZTJIDSGSA-N 1 2 359.518 2.872 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001357152676 1055797687 /nfs/dbraw/zinc/79/76/87/1055797687.db2.gz QGEWUUOLTHGHAO-QZTJIDSGSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001338795764 1055823379 /nfs/dbraw/zinc/82/33/79/1055823379.db2.gz QUDBLXQOXWGXAP-KRWDZBQOSA-N 1 2 369.517 2.568 20 30 FFEDLO C=CCn1c(Nc2cccc(OC)c2)nnc1[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001338851979 1055872249 /nfs/dbraw/zinc/87/22/49/1055872249.db2.gz RVJJPKSMGLTTNO-KRWDZBQOSA-N 1 2 357.458 2.998 20 30 FFEDLO C=CCn1c(Nc2cccc(OC)c2)nnc1[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001338851979 1055872252 /nfs/dbraw/zinc/87/22/52/1055872252.db2.gz RVJJPKSMGLTTNO-KRWDZBQOSA-N 1 2 357.458 2.998 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1C[C@H](c2ccccc2)C[C@H]1C ZINC001338896720 1055914064 /nfs/dbraw/zinc/91/40/64/1055914064.db2.gz XNPCDKYJRCISPZ-YSHGAJCASA-N 1 2 367.497 2.584 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1C[C@H](c2ccccc2)C[C@H]1C ZINC001338896720 1055914071 /nfs/dbraw/zinc/91/40/71/1055914071.db2.gz XNPCDKYJRCISPZ-YSHGAJCASA-N 1 2 367.497 2.584 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C ZINC001338896714 1055914128 /nfs/dbraw/zinc/91/41/28/1055914128.db2.gz XNPCDKYJRCISPZ-NQYYFHDYSA-N 1 2 367.497 2.584 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C ZINC001338896714 1055914145 /nfs/dbraw/zinc/91/41/45/1055914145.db2.gz XNPCDKYJRCISPZ-NQYYFHDYSA-N 1 2 367.497 2.584 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001357947636 1056077364 /nfs/dbraw/zinc/07/73/64/1056077364.db2.gz UVUZDRABUKJZHI-HZPDHXFCSA-N 1 2 365.485 2.585 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC001339134874 1056126755 /nfs/dbraw/zinc/12/67/55/1056126755.db2.gz IRAYEEGMNJBHMY-KURKYZTESA-N 1 2 370.501 2.911 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCCO[C@@H](C)C1 ZINC001339136297 1056127950 /nfs/dbraw/zinc/12/79/50/1056127950.db2.gz PBAXCRMTHMILRX-DLBZAZTESA-N 1 2 358.490 2.911 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCCO[C@H](C)C1 ZINC001339136299 1056128062 /nfs/dbraw/zinc/12/80/62/1056128062.db2.gz PBAXCRMTHMILRX-IAGOWNOFSA-N 1 2 358.490 2.911 20 30 FFEDLO C=CC[C@@H]1N(c2nnc([C@@]3(C)C[C@@H](O)C[N@@H+]3C)n2CC)CCCC1(C)C ZINC001339241687 1056240873 /nfs/dbraw/zinc/24/08/73/1056240873.db2.gz WTGPBYVVRNACIG-GQIGUUNPSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CC[C@@H]1N(c2nnc([C@@]3(C)C[C@@H](O)C[N@H+]3C)n2CC)CCCC1(C)C ZINC001339241687 1056240887 /nfs/dbraw/zinc/24/08/87/1056240887.db2.gz WTGPBYVVRNACIG-GQIGUUNPSA-N 1 2 361.534 2.781 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1CCOC ZINC001358343019 1056264499 /nfs/dbraw/zinc/26/44/99/1056264499.db2.gz UACQVMVIZULBQA-PKOBYXMFSA-N 1 2 367.497 2.720 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@H]2CCC[N@H+]2Cc2ccccc2)n1CCOC ZINC001358343019 1056264511 /nfs/dbraw/zinc/26/45/11/1056264511.db2.gz UACQVMVIZULBQA-PKOBYXMFSA-N 1 2 367.497 2.720 20 30 FFEDLO N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)n2)c(Cl)c1 ZINC000615787863 1056529094 /nfs/dbraw/zinc/52/90/94/1056529094.db2.gz CNGAQZRGPUCUJB-CYBMUJFWSA-N 1 2 366.812 2.795 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC2(CCCCC2)CC1 ZINC001339529314 1056552018 /nfs/dbraw/zinc/55/20/18/1056552018.db2.gz HRPGHQBOBDXYFB-IAGOWNOFSA-N 1 2 359.518 2.752 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC2(CCCCC2)CC1 ZINC001339529314 1056552029 /nfs/dbraw/zinc/55/20/29/1056552029.db2.gz HRPGHQBOBDXYFB-IAGOWNOFSA-N 1 2 359.518 2.752 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(Cc1cccs1)C(C)C ZINC001339532813 1056554631 /nfs/dbraw/zinc/55/46/31/1056554631.db2.gz ZIDKBGUKQWYUMM-ZBFHGGJFSA-N 1 2 361.515 2.678 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(Cc1cccs1)C(C)C ZINC001339532813 1056554642 /nfs/dbraw/zinc/55/46/42/1056554642.db2.gz ZIDKBGUKQWYUMM-ZBFHGGJFSA-N 1 2 361.515 2.678 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(C2CC2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001358886817 1056582383 /nfs/dbraw/zinc/58/23/83/1056582383.db2.gz LCLGRSUFIOCOOX-OAHLLOKOSA-N 1 2 350.470 2.657 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CCCNc1cccc[nH+]1 ZINC001358888659 1056583556 /nfs/dbraw/zinc/58/35/56/1056583556.db2.gz QCFFPRJDXULTGM-IAGOWNOFSA-N 1 2 368.485 2.875 20 30 FFEDLO C#CCN(CC)c1nnc([C@H]2CCCCO2)n1CCCNc1cccc[nH+]1 ZINC001359008545 1056652261 /nfs/dbraw/zinc/65/22/61/1056652261.db2.gz SLYPNZKGCOAHJT-QGZVFWFLSA-N 1 2 368.485 2.876 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCC)CC1 ZINC001359030140 1056665528 /nfs/dbraw/zinc/66/55/28/1056665528.db2.gz OVMQWCZKSVPDKS-IBGZPJMESA-N 1 2 351.498 2.985 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCC)CC1 ZINC001359030141 1056665742 /nfs/dbraw/zinc/66/57/42/1056665742.db2.gz OVMQWCZKSVPDKS-LJQANCHMSA-N 1 2 351.498 2.985 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC001359034960 1056666927 /nfs/dbraw/zinc/66/69/27/1056666927.db2.gz HSCQCJLZBXZKSE-HKUYNNGSSA-N 1 2 371.529 2.506 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2ncsc2Nc2ccc(C)cc2)CC1 ZINC001544680794 1071677619 /nfs/dbraw/zinc/67/76/19/1071677619.db2.gz UZRYEDOGRUBCMR-UHFFFAOYSA-N 1 2 354.479 2.976 20 30 FFEDLO C=C1CCN(c2nnc(C[NH+]3CCCCC3)n2C[C@@H]2CCCCO2)CC1 ZINC001519960147 1059246551 /nfs/dbraw/zinc/24/65/51/1059246551.db2.gz KMSKTDRTEXRNEO-SFHVURJKSA-N 1 2 359.518 2.990 20 30 FFEDLO C=CCN(C)c1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1CC=C ZINC001520336321 1059619133 /nfs/dbraw/zinc/61/91/33/1059619133.db2.gz DYVAEQLBRUYAGR-GOSISDBHSA-N 1 2 353.470 2.660 20 30 FFEDLO C=CCN(C)c1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1CC=C ZINC001520336321 1059619142 /nfs/dbraw/zinc/61/91/42/1059619142.db2.gz DYVAEQLBRUYAGR-GOSISDBHSA-N 1 2 353.470 2.660 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C)n2Cc2ccc(C(C)(F)F)cc2)CC1 ZINC001507720212 1059699638 /nfs/dbraw/zinc/69/96/38/1059699638.db2.gz SXEXKNWIEKKORL-UHFFFAOYSA-N 1 2 359.424 2.502 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CC2(OC)CCCCC2)CC1 ZINC001507717169 1059699767 /nfs/dbraw/zinc/69/97/67/1059699767.db2.gz ZNPCHDLNYYCZMX-UHFFFAOYSA-N 1 2 373.545 2.680 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2C[C@@H](C)Cc2cccs2)CC1 ZINC001507730562 1059702189 /nfs/dbraw/zinc/70/21/89/1059702189.db2.gz SZRDCFNFUFMLEB-INIZCTEOSA-N 1 2 357.527 2.536 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2CC2(C)CCC2)CC1 ZINC001507721781 1059702306 /nfs/dbraw/zinc/70/23/06/1059702306.db2.gz YEVASKJDMCTVGV-UHFFFAOYSA-N 1 2 353.470 2.792 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2Cc2cccc(Cl)c2C)CC1 ZINC001507723725 1059702980 /nfs/dbraw/zinc/70/29/80/1059702980.db2.gz RYMKZUNNNAOXQW-UHFFFAOYSA-N 1 2 369.900 2.921 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)CC(F)(F)F ZINC001516047448 1059942772 /nfs/dbraw/zinc/94/27/72/1059942772.db2.gz PBFUDRDMMXVGNE-ZDUSSCGKSA-N 1 2 361.412 2.634 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)CC(F)(F)F ZINC001516047448 1059942792 /nfs/dbraw/zinc/94/27/92/1059942792.db2.gz PBFUDRDMMXVGNE-ZDUSSCGKSA-N 1 2 361.412 2.634 20 30 FFEDLO CC1(C#N)CCN(c2nnc(C[NH+]3CCCC3)n2C[C@H]2CCCCO2)CC1 ZINC001516532255 1060130406 /nfs/dbraw/zinc/13/04/06/1060130406.db2.gz VUWKQMAOWGOZKG-QGZVFWFLSA-N 1 2 372.517 2.573 20 30 FFEDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)C1 ZINC001520905862 1060187820 /nfs/dbraw/zinc/18/78/20/1060187820.db2.gz KFWHPISPQVZMHH-HKUYNNGSSA-N 1 2 366.465 2.949 20 30 FFEDLO COCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(C)=C(C)C1 ZINC001355707507 1060517610 /nfs/dbraw/zinc/51/76/10/1060517610.db2.gz BORJSZWTPJFZBT-UHFFFAOYSA-N 1 2 372.517 2.564 20 30 FFEDLO Cn1cc(C#N)c(NC(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)n1 ZINC001517547245 1060543930 /nfs/dbraw/zinc/54/39/30/1060543930.db2.gz HNGKGJHRGRGXMT-CYBMUJFWSA-N 1 2 355.446 2.655 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC(C=C)CC1 ZINC001355876321 1060682743 /nfs/dbraw/zinc/68/27/43/1060682743.db2.gz LUCYDBSCGLGOTD-ROUUACIJSA-N 1 2 357.502 2.792 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC(C=C)CC1 ZINC001355876321 1060682750 /nfs/dbraw/zinc/68/27/50/1060682750.db2.gz LUCYDBSCGLGOTD-ROUUACIJSA-N 1 2 357.502 2.792 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001355877429 1060685516 /nfs/dbraw/zinc/68/55/16/1060685516.db2.gz UXDYQMKSRDSAFA-SQNIBIBYSA-N 1 2 357.502 2.626 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001355877429 1060685523 /nfs/dbraw/zinc/68/55/23/1060685523.db2.gz UXDYQMKSRDSAFA-SQNIBIBYSA-N 1 2 357.502 2.626 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CC[C@H](C2CC2)C1 ZINC001355877417 1060685971 /nfs/dbraw/zinc/68/59/71/1060685971.db2.gz UXDYQMKSRDSAFA-BZSNNMDCSA-N 1 2 357.502 2.626 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CC[C@H](C2CC2)C1 ZINC001355877417 1060685975 /nfs/dbraw/zinc/68/59/75/1060685975.db2.gz UXDYQMKSRDSAFA-BZSNNMDCSA-N 1 2 357.502 2.626 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001460781746 1061102470 /nfs/dbraw/zinc/10/24/70/1061102470.db2.gz YPBZNLLFWHTUSH-VXGBXAGGSA-N 1 2 357.845 2.956 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001460781746 1061102480 /nfs/dbraw/zinc/10/24/80/1061102480.db2.gz YPBZNLLFWHTUSH-VXGBXAGGSA-N 1 2 357.845 2.956 20 30 FFEDLO N#Cc1cccc2c1CN(C(=O)c1ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c1)C2 ZINC001527170506 1061413654 /nfs/dbraw/zinc/41/36/54/1061413654.db2.gz KRRROHYCIFZJDT-UHFFFAOYSA-N 1 2 359.345 2.808 20 30 FFEDLO COC(=O)COc1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1[N+](=O)[O-] ZINC001461900682 1061442212 /nfs/dbraw/zinc/44/22/12/1061442212.db2.gz RSNCLPHYIOKFFQ-UHFFFAOYSA-N 1 2 363.414 2.908 20 30 FFEDLO COC(=O)COc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1[N+](=O)[O-] ZINC001461900682 1061442214 /nfs/dbraw/zinc/44/22/14/1061442214.db2.gz RSNCLPHYIOKFFQ-UHFFFAOYSA-N 1 2 363.414 2.908 20 30 FFEDLO Cn1cc(CNC(=O)Nc2ccc3[nH+]ccn3c2)c(-c2ccc(C#N)cc2)n1 ZINC001476897537 1061503049 /nfs/dbraw/zinc/50/30/49/1061503049.db2.gz HDZICEFRWZIQHA-UHFFFAOYSA-N 1 2 371.404 2.928 20 30 FFEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1N(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001522068514 1061536662 /nfs/dbraw/zinc/53/66/62/1061536662.db2.gz HINDYDGWIILAAJ-MBOZVWFJSA-N 1 2 358.486 2.688 20 30 FFEDLO C=CC1CCN(c2nnc(C[NH+]3CCCC3)n2Cc2cc(C)on2)CC1 ZINC001528339740 1061869964 /nfs/dbraw/zinc/86/99/64/1061869964.db2.gz BWVQQXRJLNIOLJ-UHFFFAOYSA-N 1 2 356.474 2.621 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001522334465 1061964547 /nfs/dbraw/zinc/96/45/47/1061964547.db2.gz ROUVNONSNXWWPD-PZTGFMGMSA-N 1 2 372.513 2.777 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001522373864 1062052959 /nfs/dbraw/zinc/05/29/59/1062052959.db2.gz AOVXRDHAJBWRQC-UWJYYQICSA-N 1 2 370.497 2.586 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001522373864 1062052982 /nfs/dbraw/zinc/05/29/82/1062052982.db2.gz AOVXRDHAJBWRQC-UWJYYQICSA-N 1 2 370.497 2.586 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(C)[nH]2)C[C@H]1c1ccccc1 ZINC001479426746 1062386150 /nfs/dbraw/zinc/38/61/50/1062386150.db2.gz YYZFSTYZHWPYMP-ZWKOTPCHSA-N 1 2 353.470 2.554 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2nnc(C)[nH]2)C[C@H]1c1ccccc1 ZINC001479426746 1062386163 /nfs/dbraw/zinc/38/61/63/1062386163.db2.gz YYZFSTYZHWPYMP-ZWKOTPCHSA-N 1 2 353.470 2.554 20 30 FFEDLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc(C#N)ccc2OC(C)C)C1 ZINC001464466009 1062629732 /nfs/dbraw/zinc/62/97/32/1062629732.db2.gz FNKUWQWGCWFLSP-INIZCTEOSA-N 1 2 373.453 2.559 20 30 FFEDLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C#N)ccc2OC(C)C)C1 ZINC001464466009 1062629736 /nfs/dbraw/zinc/62/97/36/1062629736.db2.gz FNKUWQWGCWFLSP-INIZCTEOSA-N 1 2 373.453 2.559 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H](C)C#N)CC[N@@H+]1CC(=O)Nc1c(C)cc(C)cc1C ZINC001479632616 1062661536 /nfs/dbraw/zinc/66/15/36/1062661536.db2.gz FUDXNQFCHASRSM-FGTMMUONSA-N 1 2 370.497 2.679 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H](C)C#N)CC[N@H+]1CC(=O)Nc1c(C)cc(C)cc1C ZINC001479632616 1062661542 /nfs/dbraw/zinc/66/15/42/1062661542.db2.gz FUDXNQFCHASRSM-FGTMMUONSA-N 1 2 370.497 2.679 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](C#N)C1 ZINC001524519940 1062877399 /nfs/dbraw/zinc/87/73/99/1062877399.db2.gz MSHQCFWJAQNPDR-IRXDYDNUSA-N 1 2 360.506 2.601 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](C#N)C1 ZINC001524519940 1062877412 /nfs/dbraw/zinc/87/74/12/1062877412.db2.gz MSHQCFWJAQNPDR-IRXDYDNUSA-N 1 2 360.506 2.601 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2CC[N@H+](Cc3snnc3C)[C@@H]2C)CCCCC1 ZINC001479729750 1062972807 /nfs/dbraw/zinc/97/28/07/1062972807.db2.gz IGHDKNMYGCZEPH-CVEARBPZSA-N 1 2 360.527 2.899 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3snnc3C)[C@@H]2C)CCCCC1 ZINC001479729750 1062972835 /nfs/dbraw/zinc/97/28/35/1062972835.db2.gz IGHDKNMYGCZEPH-CVEARBPZSA-N 1 2 360.527 2.899 20 30 FFEDLO C#CC1CCN(c2nnc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)n2CC(C)C)CC1 ZINC001524832515 1063010760 /nfs/dbraw/zinc/01/07/60/1063010760.db2.gz ZXHZXDDQBPHSIH-RBUKOAKNSA-N 1 2 371.529 2.710 20 30 FFEDLO C#CC1CCN(c2nnc([C@H]3C[N@H+]4CCCC[C@H]4CO3)n2CC(C)C)CC1 ZINC001524832515 1063010783 /nfs/dbraw/zinc/01/07/83/1063010783.db2.gz ZXHZXDDQBPHSIH-RBUKOAKNSA-N 1 2 371.529 2.710 20 30 FFEDLO C=CCCC(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCCC1 ZINC001532534684 1063108820 /nfs/dbraw/zinc/10/88/20/1063108820.db2.gz PBIKCHGJKUUXMW-ZACQAIPSSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCCC(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCCC1 ZINC001532534684 1063108828 /nfs/dbraw/zinc/10/88/28/1063108828.db2.gz PBIKCHGJKUUXMW-ZACQAIPSSA-N 1 2 358.486 2.661 20 30 FFEDLO CSC1([C@H](C#N)N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC001533085946 1063242205 /nfs/dbraw/zinc/24/22/05/1063242205.db2.gz LNNRLZHNSYEVQJ-HNNXBMFYSA-N 1 2 371.422 2.640 20 30 FFEDLO C=CCC(C)(C)CNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001468934630 1064061183 /nfs/dbraw/zinc/06/11/83/1064061183.db2.gz MEFWQSFSVYBAEW-IBGZPJMESA-N 1 2 359.514 2.831 20 30 FFEDLO COC(=O)c1ccc(C[NH2+]CC2(C#N)CCOCC2)c(Br)c1 ZINC001474748482 1065596119 /nfs/dbraw/zinc/59/61/19/1065596119.db2.gz PUYKUYMWQGCDLO-UHFFFAOYSA-N 1 2 367.243 2.646 20 30 FFEDLO CN(C)c1ccc(Cn2c(N3CC[C@](F)(C#N)C3)nnc2C(C)(C)C)c[nH+]1 ZINC001552836279 1075156506 /nfs/dbraw/zinc/15/65/06/1075156506.db2.gz FXYZEGVQPBXAPD-IBGZPJMESA-N 1 2 371.464 2.527 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(S(N)(=O)=O)cc1F ZINC001560645685 1076287872 /nfs/dbraw/zinc/28/78/72/1076287872.db2.gz AWYIOBIVHBTFNE-UHFFFAOYSA-N 1 2 364.442 2.670 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(S(N)(=O)=O)cc1F ZINC001560645685 1076287876 /nfs/dbraw/zinc/28/78/76/1076287876.db2.gz AWYIOBIVHBTFNE-UHFFFAOYSA-N 1 2 364.442 2.670 20 30 FFEDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@H]1C(C)(C)C ZINC001561899795 1076440827 /nfs/dbraw/zinc/44/08/27/1076440827.db2.gz XHYOXBBEQMPLCQ-HNNXBMFYSA-N 1 2 355.891 2.562 20 30 FFEDLO C[N@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@H]1C(C)(C)C ZINC001561899795 1076440829 /nfs/dbraw/zinc/44/08/29/1076440829.db2.gz XHYOXBBEQMPLCQ-HNNXBMFYSA-N 1 2 355.891 2.562 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001572896813 1077415563 /nfs/dbraw/zinc/41/55/63/1077415563.db2.gz DPYZZEQLTQCLQV-RHSMWYFYSA-N 1 2 354.454 2.576 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001573232730 1077615713 /nfs/dbraw/zinc/61/57/13/1077615713.db2.gz KQXCIMLOJIQNHA-RYRKJORJSA-N 1 2 360.502 2.688 20 30 FFEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001573232730 1077615716 /nfs/dbraw/zinc/61/57/16/1077615716.db2.gz KQXCIMLOJIQNHA-RYRKJORJSA-N 1 2 360.502 2.688 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001573838005 1077814307 /nfs/dbraw/zinc/81/43/07/1077814307.db2.gz LCVMAUMUQXATQJ-GDBMZVCRSA-N 1 2 368.481 2.990 20 30 FFEDLO Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC001585849635 1079505203 /nfs/dbraw/zinc/50/52/03/1079505203.db2.gz LTDWYNNRYBUWDG-UHFFFAOYSA-N 1 2 374.828 2.813 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001587585934 1079819939 /nfs/dbraw/zinc/81/99/39/1079819939.db2.gz HUYJFPVSUHCVHU-CQSZACIVSA-N 1 2 364.453 2.814 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CCc2cccc(C)c2)CC1 ZINC001588733104 1080174854 /nfs/dbraw/zinc/17/48/54/1080174854.db2.gz NIAFOGAPWVABDZ-UHFFFAOYSA-N 1 2 365.525 2.882 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2Cc2ccccc2C)CC1 ZINC001588837420 1080214206 /nfs/dbraw/zinc/21/42/06/1080214206.db2.gz TZJKGKQABCNEBP-UHFFFAOYSA-N 1 2 351.498 2.589 20 30 FFEDLO CN(C(=O)C[NH+]1CCN(Cc2ccc(F)cc2C#N)CC1)C1CCCCC1 ZINC000103149605 250136666 /nfs/dbraw/zinc/13/66/66/250136666.db2.gz QAMQWTBAMKATJX-UHFFFAOYSA-N 1 2 372.488 2.606 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000105798555 250224832 /nfs/dbraw/zinc/22/48/32/250224832.db2.gz SNXWQMSWRFFDLT-ICSRJNTNSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000105798555 250224838 /nfs/dbraw/zinc/22/48/38/250224838.db2.gz SNXWQMSWRFFDLT-ICSRJNTNSA-N 1 2 356.397 2.511 20 30 FFEDLO CC(C)[N@H+]1CCc2nc(NS(=O)(=O)c3ccc(C#N)cc3)sc2C1 ZINC000272903310 252160105 /nfs/dbraw/zinc/16/01/05/252160105.db2.gz AXUKOUCBHPRRCJ-UHFFFAOYSA-N 1 2 362.480 2.582 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(Cl)n3)CC2)cc1 ZINC000273176064 252241653 /nfs/dbraw/zinc/24/16/53/252241653.db2.gz DKJHTOCPYHFPTR-UHFFFAOYSA-N 1 2 355.829 2.956 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CC(=O)c4ccccc43)CC2)cc1 ZINC000276504057 256105867 /nfs/dbraw/zinc/10/58/67/256105867.db2.gz XUEPBVWFIONJMS-NRFANRHFSA-N 1 2 373.456 2.963 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CC(=O)c4ccccc43)CC2)cc1 ZINC000276504057 256105869 /nfs/dbraw/zinc/10/58/69/256105869.db2.gz XUEPBVWFIONJMS-NRFANRHFSA-N 1 2 373.456 2.963 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000277664578 256223743 /nfs/dbraw/zinc/22/37/43/256223743.db2.gz FEFLFLQEJMVWMX-JKOKRWQUSA-N 1 2 373.375 2.730 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000277664578 256223745 /nfs/dbraw/zinc/22/37/45/256223745.db2.gz FEFLFLQEJMVWMX-JKOKRWQUSA-N 1 2 373.375 2.730 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)[S@]1=O ZINC000285847689 257007712 /nfs/dbraw/zinc/00/77/12/257007712.db2.gz HYFRYSGONQFCCX-XFBIRTSGSA-N 1 2 356.495 2.690 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)[S@]1=O ZINC000285847689 257007713 /nfs/dbraw/zinc/00/77/13/257007713.db2.gz HYFRYSGONQFCCX-XFBIRTSGSA-N 1 2 356.495 2.690 20 30 FFEDLO N#Cc1cc(N2CC[NH+](Cc3cn4cc(Cl)ccc4n3)CC2)ccn1 ZINC000288430253 257188324 /nfs/dbraw/zinc/18/83/24/257188324.db2.gz MPEAHMLAHMBBNZ-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO CSCc1cccnc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000289910202 257306172 /nfs/dbraw/zinc/30/61/72/257306172.db2.gz NUCGFUNEUVNFMG-UHFFFAOYSA-N 1 2 366.490 2.774 20 30 FFEDLO N#Cc1ccccc1N1CCCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000290808046 257358853 /nfs/dbraw/zinc/35/88/53/257358853.db2.gz WAYGZCVROYXZFF-UHFFFAOYSA-N 1 2 360.421 2.950 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299494538 257999296 /nfs/dbraw/zinc/99/92/96/257999296.db2.gz GSOZFEQLMCUKRO-UHFFFAOYSA-N 1 2 368.437 2.855 20 30 FFEDLO Cc1ccc(-c2noc(C[NH+]3CCN(c4ccnc(C#N)c4)CC3)n2)cc1 ZINC000299671348 258015482 /nfs/dbraw/zinc/01/54/82/258015482.db2.gz PIZKXYFAHRZGKZ-UHFFFAOYSA-N 1 2 360.421 2.634 20 30 FFEDLO N#Cc1c(NC[C@H](c2cccc(F)c2)[NH+]2CCOCC2)nc2ccccn21 ZINC000302115099 258088415 /nfs/dbraw/zinc/08/84/15/258088415.db2.gz VTUJDGAVXKQINT-GOSISDBHSA-N 1 2 365.412 2.830 20 30 FFEDLO N#Cc1ccc(N2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)c(F)c1 ZINC000301821761 258069270 /nfs/dbraw/zinc/06/92/70/258069270.db2.gz KEXZONVIEKUEQV-UHFFFAOYSA-N 1 2 352.417 2.636 20 30 FFEDLO N#Cc1ccc(N2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)c(F)c1 ZINC000301821761 258069271 /nfs/dbraw/zinc/06/92/71/258069271.db2.gz KEXZONVIEKUEQV-UHFFFAOYSA-N 1 2 352.417 2.636 20 30 FFEDLO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000301868296 258071811 /nfs/dbraw/zinc/07/18/11/258071811.db2.gz VWRGTGWIWVFIHJ-HNNXBMFYSA-N 1 2 360.421 2.886 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1OCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000332015154 258210444 /nfs/dbraw/zinc/21/04/44/258210444.db2.gz OYEOWNIVWVPIAZ-XLIONFOSSA-N 1 2 355.482 2.798 20 30 FFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCCc1cccc(C#N)c1)C2 ZINC000332087827 258213210 /nfs/dbraw/zinc/21/32/10/258213210.db2.gz IZFVMNHKLVGJJA-UHFFFAOYSA-N 1 2 351.454 2.726 20 30 FFEDLO C[C@H]1C[C@@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)c2[nH+]ccn21 ZINC000333237690 258257706 /nfs/dbraw/zinc/25/77/06/258257706.db2.gz ZGYOOTKJBQXABZ-DOTOQJQBSA-N 1 2 364.453 2.682 20 30 FFEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccc(I)c1 ZINC000602865359 519936002 /nfs/dbraw/zinc/93/60/02/519936002.db2.gz XOODKAMFVPVHDQ-NXEZZACHSA-N 1 2 357.195 2.510 20 30 FFEDLO N#CC1(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)CCCC1 ZINC000032080905 506228314 /nfs/dbraw/zinc/22/83/14/506228314.db2.gz OOZZWLVCASARDV-UHFFFAOYSA-N 1 2 361.873 2.947 20 30 FFEDLO COc1cccc([C@@H](NC(=O)c2ccc(C#N)c(C)n2)c2[nH+]ccn2C)c1 ZINC000032301378 506240073 /nfs/dbraw/zinc/24/00/73/506240073.db2.gz SLHDUKMVNRXRRB-GOSISDBHSA-N 1 2 361.405 2.523 20 30 FFEDLO CC(=O)Nc1nc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cs1 ZINC000052801115 506252123 /nfs/dbraw/zinc/25/21/23/506252123.db2.gz LALJSKCZICWOLM-UHFFFAOYSA-N 1 2 355.467 2.685 20 30 FFEDLO CC(=O)Nc1nc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cs1 ZINC000052801115 506252130 /nfs/dbraw/zinc/25/21/30/506252130.db2.gz LALJSKCZICWOLM-UHFFFAOYSA-N 1 2 355.467 2.685 20 30 FFEDLO Cc1csc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000368993842 512173434 /nfs/dbraw/zinc/17/34/34/512173434.db2.gz VWYSHISTAMXBMY-UHFFFAOYSA-N 1 2 356.451 2.805 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000366804128 512193764 /nfs/dbraw/zinc/19/37/64/512193764.db2.gz IOORLSIPVRJJRZ-QGZVFWFLSA-N 1 2 358.438 2.961 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000366804128 512193767 /nfs/dbraw/zinc/19/37/67/512193767.db2.gz IOORLSIPVRJJRZ-QGZVFWFLSA-N 1 2 358.438 2.961 20 30 FFEDLO COc1ccc([C@H](NC(=O)c2ccc(F)c(C#N)c2)c2[nH+]ccn2C)cc1 ZINC000375186563 512202251 /nfs/dbraw/zinc/20/22/51/512202251.db2.gz CSUWHKKIXDDMPA-SFHVURJKSA-N 1 2 364.380 2.959 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3cccc(F)c3)CC2)cc1 ZINC000410169562 512217801 /nfs/dbraw/zinc/21/78/01/512217801.db2.gz GQPXSISDSAWYSB-UHFFFAOYSA-N 1 2 352.413 2.725 20 30 FFEDLO C=CCN1CC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O ZINC000410308851 512236601 /nfs/dbraw/zinc/23/66/01/512236601.db2.gz ZMJSUAOIQUYBTF-INIZCTEOSA-N 1 2 353.388 2.614 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000065963409 506403667 /nfs/dbraw/zinc/40/36/67/506403667.db2.gz GMFZQVGJIDHKNC-UHFFFAOYSA-N 1 2 374.510 2.719 20 30 FFEDLO N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cc2)c1N ZINC000066240179 506455317 /nfs/dbraw/zinc/45/53/17/506455317.db2.gz OGYYSNCQHXBKSQ-UHFFFAOYSA-N 1 2 369.388 2.764 20 30 FFEDLO N#Cc1cnn(-c2ccc(C(=O)Nc3ccccc3-n3cc[nH+]c3)cc2)c1N ZINC000066240377 506456146 /nfs/dbraw/zinc/45/61/46/506456146.db2.gz QGGSJNQZKCAUNO-UHFFFAOYSA-N 1 2 369.388 2.764 20 30 FFEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)[C@H]1C ZINC000369208375 512282938 /nfs/dbraw/zinc/28/29/38/512282938.db2.gz XLPMMYNRORLGJJ-FGTMMUONSA-N 1 2 354.498 2.880 20 30 FFEDLO C=CCc1ccc(OCC(=O)NCc2ccc[nH+]c2N(C)C)c(OC)c1 ZINC000043050762 506692361 /nfs/dbraw/zinc/69/23/61/506692361.db2.gz MZCRCTTXWLEJBW-UHFFFAOYSA-N 1 2 355.438 2.580 20 30 FFEDLO N#Cc1cccc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000043330011 506733509 /nfs/dbraw/zinc/73/35/09/506733509.db2.gz JOEGIEZVGLJPIP-INIZCTEOSA-N 1 2 356.451 2.815 20 30 FFEDLO N#Cc1cccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000043329515 506733918 /nfs/dbraw/zinc/73/39/18/506733918.db2.gz MBBJDPYFJAZNHL-IBGZPJMESA-N 1 2 350.422 2.753 20 30 FFEDLO N#Cc1ccccc1CSCCNC(=O)NCCCNc1cccc[nH+]1 ZINC000043835491 506787655 /nfs/dbraw/zinc/78/76/55/506787655.db2.gz NACDRBYYNVRUKH-UHFFFAOYSA-N 1 2 369.494 2.988 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000373377183 512300057 /nfs/dbraw/zinc/30/00/57/512300057.db2.gz MAAKAXQHLKXBBI-AZUAARDMSA-N 1 2 352.438 2.799 20 30 FFEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000056490021 507027752 /nfs/dbraw/zinc/02/77/52/507027752.db2.gz ZCEOULAZLOHHEY-ZDUSSCGKSA-N 1 2 356.297 2.974 20 30 FFEDLO C[C@H](Oc1ccc(F)cc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000017843189 507129769 /nfs/dbraw/zinc/12/97/69/507129769.db2.gz CXERTGJKMGOQLS-INIZCTEOSA-N 1 2 367.424 2.809 20 30 FFEDLO N#Cc1cc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1Cl ZINC000057021009 507151393 /nfs/dbraw/zinc/15/13/93/507151393.db2.gz RANFPQXBPZTSFA-UHFFFAOYSA-N 1 2 372.837 2.876 20 30 FFEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)c(OC)c1 ZINC000057405882 507257025 /nfs/dbraw/zinc/25/70/25/507257025.db2.gz HZQLTNJDIAYEPX-HNNXBMFYSA-N 1 2 359.470 2.867 20 30 FFEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)c(OC)c1 ZINC000057405882 507257032 /nfs/dbraw/zinc/25/70/32/507257032.db2.gz HZQLTNJDIAYEPX-HNNXBMFYSA-N 1 2 359.470 2.867 20 30 FFEDLO COc1ccc(OC)c(CN2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000023255095 507342377 /nfs/dbraw/zinc/34/23/77/507342377.db2.gz AZSXCYPIDLZDBI-UHFFFAOYSA-N 1 2 351.450 2.893 20 30 FFEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000023255095 507342382 /nfs/dbraw/zinc/34/23/82/507342382.db2.gz AZSXCYPIDLZDBI-UHFFFAOYSA-N 1 2 351.450 2.893 20 30 FFEDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023258231 507342555 /nfs/dbraw/zinc/34/25/55/507342555.db2.gz PZODMJAWNYTGPL-WIYYLYMNSA-N 1 2 368.525 2.855 20 30 FFEDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258231 507342565 /nfs/dbraw/zinc/34/25/65/507342565.db2.gz PZODMJAWNYTGPL-WIYYLYMNSA-N 1 2 368.525 2.855 20 30 FFEDLO CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000057874686 507346527 /nfs/dbraw/zinc/34/65/27/507346527.db2.gz UTTVFJBQNKFLIV-UHFFFAOYSA-N 1 2 356.289 2.705 20 30 FFEDLO N#CC1CC[NH+](CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)CC1 ZINC000057880314 507348041 /nfs/dbraw/zinc/34/80/41/507348041.db2.gz NSBKDGWJYAJEON-UHFFFAOYSA-N 1 2 369.465 2.579 20 30 FFEDLO CN1CC[NH+](C[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)c2ccccc2)CC1 ZINC000068910727 507358724 /nfs/dbraw/zinc/35/87/24/507358724.db2.gz JMGWSXPDWABQOO-HXUWFJFHSA-N 1 2 365.437 2.867 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+](CC(=O)NCC2CCCCC2)CC1 ZINC000048041490 507438387 /nfs/dbraw/zinc/43/83/87/507438387.db2.gz ZZSZQYKERLVKBK-UHFFFAOYSA-N 1 2 358.461 2.516 20 30 FFEDLO N#Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000025048838 507460656 /nfs/dbraw/zinc/46/06/56/507460656.db2.gz VKNNHMOKYGZPAU-UHFFFAOYSA-N 1 2 355.463 2.501 20 30 FFEDLO Cc1ccc(C(C)C)c(OCC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000060634015 507571571 /nfs/dbraw/zinc/57/15/71/507571571.db2.gz KEDGHVJQBMTQQL-UHFFFAOYSA-N 1 2 373.497 2.572 20 30 FFEDLO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)c1ccccc1Cl ZINC000048912028 507578658 /nfs/dbraw/zinc/57/86/58/507578658.db2.gz BUZDRDWUKCHMCJ-KRWDZBQOSA-N 1 2 370.840 2.569 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)COCc3ccccc3F)CCO2)c1 ZINC000367138183 512354790 /nfs/dbraw/zinc/35/47/90/512354790.db2.gz GHZJSWXCYVSYRI-CTNGQTDRSA-N 1 2 370.424 2.648 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)COCc3ccccc3F)CCO2)c1 ZINC000367138183 512354796 /nfs/dbraw/zinc/35/47/96/512354796.db2.gz GHZJSWXCYVSYRI-CTNGQTDRSA-N 1 2 370.424 2.648 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@H+](CCC(=O)Nc3ccccc3C#N)CCO2)c1 ZINC000367136779 512354990 /nfs/dbraw/zinc/35/49/90/512354990.db2.gz AABLHJSREDHBCQ-HXUWFJFHSA-N 1 2 360.417 2.832 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@@H+](CCC(=O)Nc3ccccc3C#N)CCO2)c1 ZINC000367136779 512354996 /nfs/dbraw/zinc/35/49/96/512354996.db2.gz AABLHJSREDHBCQ-HXUWFJFHSA-N 1 2 360.417 2.832 20 30 FFEDLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000051052626 507727259 /nfs/dbraw/zinc/72/72/59/507727259.db2.gz LIZPJWFWJVWOBC-CZUORRHYSA-N 1 2 374.485 2.723 20 30 FFEDLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000051052626 507727265 /nfs/dbraw/zinc/72/72/65/507727265.db2.gz LIZPJWFWJVWOBC-CZUORRHYSA-N 1 2 374.485 2.723 20 30 FFEDLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000028725797 507737723 /nfs/dbraw/zinc/73/77/23/507737723.db2.gz ZUQCYOOWDLVDTF-PXNSSMCTSA-N 1 2 357.454 2.649 20 30 FFEDLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000028725797 507737727 /nfs/dbraw/zinc/73/77/27/507737727.db2.gz ZUQCYOOWDLVDTF-PXNSSMCTSA-N 1 2 357.454 2.649 20 30 FFEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)c(OC)c1 ZINC000028726115 507738073 /nfs/dbraw/zinc/73/80/73/507738073.db2.gz XVMRQKQSNXCBIE-PXNSSMCTSA-N 1 2 357.454 2.649 20 30 FFEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)c(OC)c1 ZINC000028726115 507738081 /nfs/dbraw/zinc/73/80/81/507738081.db2.gz XVMRQKQSNXCBIE-PXNSSMCTSA-N 1 2 357.454 2.649 20 30 FFEDLO O=C(C[N@H+]1CCC[C@H](O)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000029118268 507761405 /nfs/dbraw/zinc/76/14/05/507761405.db2.gz RLZZXDJZPXEIGY-ZDUSSCGKSA-N 1 2 362.411 2.763 20 30 FFEDLO O=C(C[N@@H+]1CCC[C@H](O)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000029118268 507761409 /nfs/dbraw/zinc/76/14/09/507761409.db2.gz RLZZXDJZPXEIGY-ZDUSSCGKSA-N 1 2 362.411 2.763 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000029783551 507790231 /nfs/dbraw/zinc/79/02/31/507790231.db2.gz FGNSQXIICIKZTP-HNAYVOBHSA-N 1 2 360.417 2.965 20 30 FFEDLO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857001 507792977 /nfs/dbraw/zinc/79/29/77/507792977.db2.gz CEWDJSKTJANOQU-IRXDYDNUSA-N 1 2 372.488 2.999 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000029861802 507793902 /nfs/dbraw/zinc/79/39/02/507793902.db2.gz DQSILHWYKKNELN-UGSOOPFHSA-N 1 2 364.877 2.653 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000029861802 507793904 /nfs/dbraw/zinc/79/39/04/507793904.db2.gz DQSILHWYKKNELN-UGSOOPFHSA-N 1 2 364.877 2.653 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1C#N ZINC000089273171 507826419 /nfs/dbraw/zinc/82/64/19/507826419.db2.gz QRHDAUWKRFLZQD-GOSISDBHSA-N 1 2 372.469 2.674 20 30 FFEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)Nc2cc(F)ccc2C)cs1 ZINC000072920137 507873666 /nfs/dbraw/zinc/87/36/66/507873666.db2.gz FDPFMPLENKGJGU-SNVBAGLBSA-N 1 2 350.419 2.758 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(Br)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000090554223 507927508 /nfs/dbraw/zinc/92/75/08/507927508.db2.gz SYJDNCAHYFDCRJ-AWEZNQCLSA-N 1 2 358.301 2.933 20 30 FFEDLO C=CC[N@H+](Cc1cccc(Br)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000090554223 507927510 /nfs/dbraw/zinc/92/75/10/507927510.db2.gz SYJDNCAHYFDCRJ-AWEZNQCLSA-N 1 2 358.301 2.933 20 30 FFEDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091068265 507949054 /nfs/dbraw/zinc/94/90/54/507949054.db2.gz LQKUZKYSYQBHHZ-INIZCTEOSA-N 1 2 351.454 2.543 20 30 FFEDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091068265 507949057 /nfs/dbraw/zinc/94/90/57/507949057.db2.gz LQKUZKYSYQBHHZ-INIZCTEOSA-N 1 2 351.454 2.543 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000373510465 512369491 /nfs/dbraw/zinc/36/94/91/512369491.db2.gz UQJSHHLSLOBQTF-GDBMZVCRSA-N 1 2 369.387 2.730 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc(C2CCC2)s1 ZINC000091936880 508026325 /nfs/dbraw/zinc/02/63/25/508026325.db2.gz LWBZDBPXSALHPH-CYBMUJFWSA-N 1 2 354.483 2.783 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc(C2CCC2)s1 ZINC000091936880 508026326 /nfs/dbraw/zinc/02/63/26/508026326.db2.gz LWBZDBPXSALHPH-CYBMUJFWSA-N 1 2 354.483 2.783 20 30 FFEDLO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH+]2CCN(CC#N)CC2)c1 ZINC000092936172 508109357 /nfs/dbraw/zinc/10/93/57/508109357.db2.gz GHHCRHGOQBOPES-UHFFFAOYSA-N 1 2 367.497 2.955 20 30 FFEDLO COc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2ccccc2)cc1O ZINC000080963072 508117587 /nfs/dbraw/zinc/11/75/87/508117587.db2.gz WYYLDZVILDHLKC-UHFFFAOYSA-N 1 2 353.422 2.779 20 30 FFEDLO COc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)cc1O ZINC000080963072 508117589 /nfs/dbraw/zinc/11/75/89/508117589.db2.gz WYYLDZVILDHLKC-UHFFFAOYSA-N 1 2 353.422 2.779 20 30 FFEDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000081004561 508123469 /nfs/dbraw/zinc/12/34/69/508123469.db2.gz NVWRJZYPTNRZQQ-UHFFFAOYSA-N 1 2 355.360 2.652 20 30 FFEDLO CCOC(=O)C[N@H+]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000081004561 508123471 /nfs/dbraw/zinc/12/34/71/508123471.db2.gz NVWRJZYPTNRZQQ-UHFFFAOYSA-N 1 2 355.360 2.652 20 30 FFEDLO COc1ccc([C@@H](CO)[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000075742389 508132014 /nfs/dbraw/zinc/13/20/14/508132014.db2.gz QWCYDQHHEPRAOS-GOSISDBHSA-N 1 2 364.405 2.782 20 30 FFEDLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000075742389 508132018 /nfs/dbraw/zinc/13/20/18/508132018.db2.gz QWCYDQHHEPRAOS-GOSISDBHSA-N 1 2 364.405 2.782 20 30 FFEDLO CCN(CCC#N)C(=O)CN1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000075863401 508139529 /nfs/dbraw/zinc/13/95/29/508139529.db2.gz MTEGIWOSNHMFGW-INIZCTEOSA-N 1 2 362.905 2.781 20 30 FFEDLO CCN(CCC#N)C(=O)C[NH+]1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000075863401 508139532 /nfs/dbraw/zinc/13/95/32/508139532.db2.gz MTEGIWOSNHMFGW-INIZCTEOSA-N 1 2 362.905 2.781 20 30 FFEDLO C=C(C)COc1cc(C[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)ccc1OC ZINC000093422264 508145084 /nfs/dbraw/zinc/14/50/84/508145084.db2.gz LNIVHDNAUMMYIX-CABCVRRESA-N 1 2 355.500 2.904 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)ccc1OC ZINC000093422264 508145086 /nfs/dbraw/zinc/14/50/86/508145086.db2.gz LNIVHDNAUMMYIX-CABCVRRESA-N 1 2 355.500 2.904 20 30 FFEDLO C=CCc1cc(C[NH+]2CCN(c3nc(C)ns3)CC2)cc(OC)c1O ZINC000093663437 508151906 /nfs/dbraw/zinc/15/19/06/508151906.db2.gz YRVUFARMSKGPSP-UHFFFAOYSA-N 1 2 360.483 2.611 20 30 FFEDLO COc1ccc([C@H](CO)[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000112623088 508202929 /nfs/dbraw/zinc/20/29/29/508202929.db2.gz RCFOPDDVQUFZAH-SFHVURJKSA-N 1 2 373.840 2.824 20 30 FFEDLO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000112623088 508202931 /nfs/dbraw/zinc/20/29/31/508202931.db2.gz RCFOPDDVQUFZAH-SFHVURJKSA-N 1 2 373.840 2.824 20 30 FFEDLO C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000112979308 508237019 /nfs/dbraw/zinc/23/70/19/508237019.db2.gz NLOSJBIPUBDLET-HNNXBMFYSA-N 1 2 360.421 2.886 20 30 FFEDLO C[N@H+](Cc1ccc(F)c(F)c1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000102936655 508289770 /nfs/dbraw/zinc/28/97/70/508289770.db2.gz CDZJLONZUVBHBL-QGZVFWFLSA-N 1 2 355.344 2.600 20 30 FFEDLO C[N@@H+](Cc1ccc(F)c(F)c1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000102936655 508289773 /nfs/dbraw/zinc/28/97/73/508289773.db2.gz CDZJLONZUVBHBL-QGZVFWFLSA-N 1 2 355.344 2.600 20 30 FFEDLO CCCC[C@H](COC)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000077796015 508375442 /nfs/dbraw/zinc/37/54/42/508375442.db2.gz XINKRPVCCOLAST-LJQANCHMSA-N 1 2 358.486 2.591 20 30 FFEDLO C[N@H+](Cc1ccc(Br)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115531413 508405907 /nfs/dbraw/zinc/40/59/07/508405907.db2.gz BTMWLGOTRKNKEA-MRXNPFEDSA-N 1 2 358.239 2.979 20 30 FFEDLO C[N@@H+](Cc1ccc(Br)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115531413 508405911 /nfs/dbraw/zinc/40/59/11/508405911.db2.gz BTMWLGOTRKNKEA-MRXNPFEDSA-N 1 2 358.239 2.979 20 30 FFEDLO N#Cc1ccc([C@H]([NH2+]Cc2cc(F)cc(Br)c2)C(N)=O)cc1 ZINC000115597841 508416322 /nfs/dbraw/zinc/41/63/22/508416322.db2.gz NNGIOADLGSVYLP-HNNXBMFYSA-N 1 2 362.202 2.776 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+](CCO)Cc2cccnc2)cc1 ZINC000156849889 508486146 /nfs/dbraw/zinc/48/61/46/508486146.db2.gz KOKHJJJGTZPRMA-GOSISDBHSA-N 1 2 366.465 2.520 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](CCO)Cc2cccnc2)cc1 ZINC000156849889 508486152 /nfs/dbraw/zinc/48/61/52/508486152.db2.gz KOKHJJJGTZPRMA-GOSISDBHSA-N 1 2 366.465 2.520 20 30 FFEDLO CCO[C@@H]1C[C@H]([N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C12CCC2 ZINC000156858587 508487594 /nfs/dbraw/zinc/48/75/94/508487594.db2.gz MUPVRMFCWYEYQK-ZWKOTPCHSA-N 1 2 362.495 2.611 20 30 FFEDLO CCO[C@@H]1C[C@H]([N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C12CCC2 ZINC000156858587 508487597 /nfs/dbraw/zinc/48/75/97/508487597.db2.gz MUPVRMFCWYEYQK-ZWKOTPCHSA-N 1 2 362.495 2.611 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1nnc(-c2ccco2)o1)Cc1cccc(C#N)c1 ZINC000152957664 508534071 /nfs/dbraw/zinc/53/40/71/508534071.db2.gz ISODCBUYGOGFFA-UHFFFAOYSA-N 1 2 363.377 2.828 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1nnc(-c2ccco2)o1)Cc1cccc(C#N)c1 ZINC000152957664 508534073 /nfs/dbraw/zinc/53/40/73/508534073.db2.gz ISODCBUYGOGFFA-UHFFFAOYSA-N 1 2 363.377 2.828 20 30 FFEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000157265193 508544663 /nfs/dbraw/zinc/54/46/63/508544663.db2.gz YKJIOHUSFGSNLP-UHFFFAOYSA-N 1 2 355.356 2.818 20 30 FFEDLO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000157265193 508544666 /nfs/dbraw/zinc/54/46/66/508544666.db2.gz YKJIOHUSFGSNLP-UHFFFAOYSA-N 1 2 355.356 2.818 20 30 FFEDLO Cc1cccc([C@H](C/N=C/c2ccc(O)c(O)c2O)[NH+]2CCOCC2)c1 ZINC000122564666 508554656 /nfs/dbraw/zinc/55/46/56/508554656.db2.gz UXJBXFZSGIMSNG-RHLNUJDMSA-N 1 2 356.422 2.604 20 30 FFEDLO Cc1nc(SCC(=O)N(C)CCCn2cc[nH+]c2)c(C#N)c(C)c1C ZINC000122622344 508564070 /nfs/dbraw/zinc/56/40/70/508564070.db2.gz OGOWJFBKFPWQRB-UHFFFAOYSA-N 1 2 357.483 2.716 20 30 FFEDLO N#Cc1cc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000157589003 508584767 /nfs/dbraw/zinc/58/47/67/508584767.db2.gz CUFJULVAEAITBL-SFHVURJKSA-N 1 2 352.394 2.952 20 30 FFEDLO Cc1cc2cccnc2c(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000123410633 508682339 /nfs/dbraw/zinc/68/23/39/508682339.db2.gz XDEVMZDPLHVHBV-UHFFFAOYSA-N 1 2 367.453 2.623 20 30 FFEDLO N#Cc1ccc(OC2C[NH+](C[C@H](O)COCc3ccc(Cl)cc3)C2)cc1 ZINC000158568488 508722751 /nfs/dbraw/zinc/72/27/51/508722751.db2.gz MXBOCLGMODGYJY-SFHVURJKSA-N 1 2 372.852 2.852 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000119100942 508725796 /nfs/dbraw/zinc/72/57/96/508725796.db2.gz BFPYYHODFNYLQN-UHFFFAOYSA-N 1 2 365.437 2.762 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)s1 ZINC000119301945 508767780 /nfs/dbraw/zinc/76/77/80/508767780.db2.gz ACFURSCSLMJFFJ-QGZVFWFLSA-N 1 2 355.463 2.917 20 30 FFEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)c1 ZINC000119366845 508782006 /nfs/dbraw/zinc/78/20/06/508782006.db2.gz GIGMMSVJJWJWMY-UHFFFAOYSA-N 1 2 352.434 2.915 20 30 FFEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000130756187 508841732 /nfs/dbraw/zinc/84/17/32/508841732.db2.gz KGZDEFAKBWPVKN-UHFFFAOYSA-N 1 2 358.401 2.956 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnc(-c2cccs2)s1 ZINC000154788205 508856022 /nfs/dbraw/zinc/85/60/22/508856022.db2.gz HWLIXQRLZDMTQV-UHFFFAOYSA-N 1 2 362.524 2.919 20 30 FFEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000155038422 508909341 /nfs/dbraw/zinc/90/93/41/508909341.db2.gz AXZIKMYNXOAGEO-UHFFFAOYSA-N 1 2 368.393 2.760 20 30 FFEDLO CC#CCC[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000155084899 508919030 /nfs/dbraw/zinc/91/90/30/508919030.db2.gz XMHKOSULKJBFNJ-UHFFFAOYSA-N 1 2 361.294 2.713 20 30 FFEDLO CCOc1cccc(N2CC[NH+](Cc3cc(C#N)ccc3OC)CC2)n1 ZINC000160061433 508932818 /nfs/dbraw/zinc/93/28/18/508932818.db2.gz SRVFPKQBGWDAGK-UHFFFAOYSA-N 1 2 352.438 2.683 20 30 FFEDLO C=CC[N@@H+](CCN1C(=O)CCC1=O)Cc1cc(Br)ccc1F ZINC000160533778 508999383 /nfs/dbraw/zinc/99/93/83/508999383.db2.gz ZLVSBCZRHGAYJZ-UHFFFAOYSA-N 1 2 369.234 2.725 20 30 FFEDLO C=CC[N@H+](CCN1C(=O)CCC1=O)Cc1cc(Br)ccc1F ZINC000160533778 508999388 /nfs/dbraw/zinc/99/93/88/508999388.db2.gz ZLVSBCZRHGAYJZ-UHFFFAOYSA-N 1 2 369.234 2.725 20 30 FFEDLO C=CCOCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000127031972 509161156 /nfs/dbraw/zinc/16/11/56/509161156.db2.gz BZJXCQQJADZVAE-PKOBYXMFSA-N 1 2 366.889 2.811 20 30 FFEDLO C=CCOCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000127031972 509161159 /nfs/dbraw/zinc/16/11/59/509161159.db2.gz BZJXCQQJADZVAE-PKOBYXMFSA-N 1 2 366.889 2.811 20 30 FFEDLO C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000216381200 509260215 /nfs/dbraw/zinc/26/02/15/509260215.db2.gz GMQWWZQATCSINJ-WIYYLYMNSA-N 1 2 368.525 2.954 20 30 FFEDLO CN(C(=O)C[NH+]1CCN(Cc2ccc(C#N)c(F)c2)CC1)C1CCCCC1 ZINC000191992059 509281661 /nfs/dbraw/zinc/28/16/61/509281661.db2.gz HOJXTRMXCDYZPF-UHFFFAOYSA-N 1 2 372.488 2.606 20 30 FFEDLO CC(C)[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1nc(-c2nc[nH]n2)no1 ZINC000188827477 509282388 /nfs/dbraw/zinc/28/23/88/509282388.db2.gz QXJHAKREPVCOHS-CYBMUJFWSA-N 1 2 357.805 2.867 20 30 FFEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000267068636 509333214 /nfs/dbraw/zinc/33/32/14/509333214.db2.gz VHGFEEWEWDJUOI-WZQKQDCOSA-N 1 2 369.490 2.605 20 30 FFEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000267068636 509333220 /nfs/dbraw/zinc/33/32/20/509333220.db2.gz VHGFEEWEWDJUOI-WZQKQDCOSA-N 1 2 369.490 2.605 20 30 FFEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000267068627 509333353 /nfs/dbraw/zinc/33/33/53/509333353.db2.gz VHGFEEWEWDJUOI-PVPMGCCUSA-N 1 2 369.490 2.605 20 30 FFEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000267068627 509333361 /nfs/dbraw/zinc/33/33/61/509333361.db2.gz VHGFEEWEWDJUOI-PVPMGCCUSA-N 1 2 369.490 2.605 20 30 FFEDLO C=CCN(CCOC)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000192091642 509343138 /nfs/dbraw/zinc/34/31/38/509343138.db2.gz VPKJKTISORGMBA-IAGOWNOFSA-N 1 2 361.486 2.962 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179513925 509490200 /nfs/dbraw/zinc/49/02/00/509490200.db2.gz ZVEKDGGCLLFFEJ-HOCLYGCPSA-N 1 2 370.501 2.593 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179513925 509490209 /nfs/dbraw/zinc/49/02/09/509490209.db2.gz ZVEKDGGCLLFFEJ-HOCLYGCPSA-N 1 2 370.501 2.593 20 30 FFEDLO N#Cc1cc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000165505907 509574096 /nfs/dbraw/zinc/57/40/96/509574096.db2.gz RQPBJWFRRHJAAH-LJQANCHMSA-N 1 2 352.394 2.952 20 30 FFEDLO CO[C@H](C)c1nc(CN2CCC[N@H+](C[C@H](C#N)CCC#N)CC2)cs1 ZINC000267646727 509580925 /nfs/dbraw/zinc/58/09/25/509580925.db2.gz KPWWYLONDSMMEA-CVEARBPZSA-N 1 2 361.515 2.802 20 30 FFEDLO CO[C@H](C)c1nc(CN2CCC[N@@H+](C[C@H](C#N)CCC#N)CC2)cs1 ZINC000267646727 509580931 /nfs/dbraw/zinc/58/09/31/509580931.db2.gz KPWWYLONDSMMEA-CVEARBPZSA-N 1 2 361.515 2.802 20 30 FFEDLO CCCc1nc(CO[NH+]=C(N)c2cc(Cl)c(OC)c(OC)c2)no1 ZINC000264528029 509582349 /nfs/dbraw/zinc/58/23/49/509582349.db2.gz GMDDRHXMGFTJAL-UHFFFAOYSA-N 1 2 354.794 2.530 20 30 FFEDLO CC(C)c1nnc2n1CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]2C ZINC000189522477 509618185 /nfs/dbraw/zinc/61/81/85/509618185.db2.gz APIPQUROCVSOJF-CQSZACIVSA-N 1 2 352.442 2.679 20 30 FFEDLO CC(C)c1nnc2n1CC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]2C ZINC000189522477 509618190 /nfs/dbraw/zinc/61/81/90/509618190.db2.gz APIPQUROCVSOJF-CQSZACIVSA-N 1 2 352.442 2.679 20 30 FFEDLO N#Cc1c(F)cccc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000186467320 509722405 /nfs/dbraw/zinc/72/24/05/509722405.db2.gz INGPPIOTWCIXIK-IBGZPJMESA-N 1 2 353.397 2.501 20 30 FFEDLO COc1ccc2nc(C[NH+]3CCN(c4ncccc4C#N)CC3)sc2c1 ZINC000186480002 509730448 /nfs/dbraw/zinc/73/04/48/509730448.db2.gz MHOOQHPUJGHQSI-UHFFFAOYSA-N 1 2 365.462 2.894 20 30 FFEDLO CC(C)OCc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000176923002 509768355 /nfs/dbraw/zinc/76/83/55/509768355.db2.gz IVEZMLXCCIPKOE-UHFFFAOYSA-N 1 2 374.485 2.691 20 30 FFEDLO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)c1 ZINC000177058849 509846034 /nfs/dbraw/zinc/84/60/34/509846034.db2.gz JSOIZQVOILNUSN-HZPDHXFCSA-N 1 2 355.467 2.567 20 30 FFEDLO Cc1cnn([C@@H]2CCC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)c1 ZINC000177058849 509846038 /nfs/dbraw/zinc/84/60/38/509846038.db2.gz JSOIZQVOILNUSN-HZPDHXFCSA-N 1 2 355.467 2.567 20 30 FFEDLO N#Cc1ccc(CCC(=O)N2CCC[N@H+](Cc3cscn3)CC2)cc1 ZINC000171022507 509894797 /nfs/dbraw/zinc/89/47/97/509894797.db2.gz UUVWVYRWKJCCQC-UHFFFAOYSA-N 1 2 354.479 2.682 20 30 FFEDLO N#Cc1ccc(CCC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)cc1 ZINC000171022507 509894804 /nfs/dbraw/zinc/89/48/04/509894804.db2.gz UUVWVYRWKJCCQC-UHFFFAOYSA-N 1 2 354.479 2.682 20 30 FFEDLO N#Cc1cc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)ccc1F ZINC000171087010 509932759 /nfs/dbraw/zinc/93/27/59/509932759.db2.gz KAFNUHUOMLSVKS-MRXNPFEDSA-N 1 2 374.441 2.954 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000265243042 509942466 /nfs/dbraw/zinc/94/24/66/509942466.db2.gz IYKVFVHNWXAZIH-INIZCTEOSA-N 1 2 366.490 2.951 20 30 FFEDLO CC(C)CO[C@H](C)c1noc(CO[NH+]=C(N)c2ccc(F)c(F)c2)n1 ZINC000174115997 509954446 /nfs/dbraw/zinc/95/44/46/509954446.db2.gz OQBKFKSTBRKEEA-SNVBAGLBSA-N 1 2 354.357 2.919 20 30 FFEDLO N#CCSCCC[N@@H+]1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000190140825 509962432 /nfs/dbraw/zinc/96/24/32/509962432.db2.gz VXNMPIDGUNBQDN-AWEZNQCLSA-N 1 2 373.400 2.705 20 30 FFEDLO N#CCSCCC[N@H+]1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000190140825 509962436 /nfs/dbraw/zinc/96/24/36/509962436.db2.gz VXNMPIDGUNBQDN-AWEZNQCLSA-N 1 2 373.400 2.705 20 30 FFEDLO Cc1ccc([C@H](CNC(=O)c2cccc(F)c2C#N)[NH+]2CCOCC2)cc1 ZINC000186978087 509984638 /nfs/dbraw/zinc/98/46/38/509984638.db2.gz NAIWLJSLFYBLSQ-FQEVSTJZSA-N 1 2 367.424 2.809 20 30 FFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000183869042 510014243 /nfs/dbraw/zinc/01/42/43/510014243.db2.gz JXSIKLSJWIMUCL-AWEZNQCLSA-N 1 2 358.471 2.769 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2C[C@H](n3cc[nH+]c3)Cc3ccccc32)cc1 ZINC000174266259 510030286 /nfs/dbraw/zinc/03/02/86/510030286.db2.gz FABRTOQIPWGLKD-QGZVFWFLSA-N 1 2 364.430 2.747 20 30 FFEDLO C=C(C)CN(C)C(=O)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000180656676 510037706 /nfs/dbraw/zinc/03/77/06/510037706.db2.gz NTJMQKRGYSZHNP-UHFFFAOYSA-N 1 2 372.494 2.748 20 30 FFEDLO C=C(C)CN(C)C(=O)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000180656676 510037719 /nfs/dbraw/zinc/03/77/19/510037719.db2.gz NTJMQKRGYSZHNP-UHFFFAOYSA-N 1 2 372.494 2.748 20 30 FFEDLO COc1cc(OC[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)ccc1C#N ZINC000193767919 510058085 /nfs/dbraw/zinc/05/80/85/510058085.db2.gz ARMACZFFMBSMNY-INIZCTEOSA-N 1 2 351.406 2.973 20 30 FFEDLO CSCC[C@@H](C)[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265464561 510068221 /nfs/dbraw/zinc/06/82/21/510068221.db2.gz AWMDFMFYFHCRMU-OCCSQVGLSA-N 1 2 358.467 2.585 20 30 FFEDLO CSCC[C@@H](C)[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265464561 510068232 /nfs/dbraw/zinc/06/82/32/510068232.db2.gz AWMDFMFYFHCRMU-OCCSQVGLSA-N 1 2 358.467 2.585 20 30 FFEDLO Cc1ccc(Cl)cc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000177508511 510104666 /nfs/dbraw/zinc/10/46/66/510104666.db2.gz DRQQJFTYPXRDTB-UHFFFAOYSA-N 1 2 350.850 2.728 20 30 FFEDLO CCOc1cc2c(cc1OCC)C[N@H+](CC(=O)N(CC)C[C@H](C)C#N)CC2 ZINC000171381306 510118721 /nfs/dbraw/zinc/11/87/21/510118721.db2.gz DZBDWGQPLBWEBC-MRXNPFEDSA-N 1 2 373.497 2.850 20 30 FFEDLO CCOc1cc2c(cc1OCC)C[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)CC2 ZINC000171381306 510118725 /nfs/dbraw/zinc/11/87/25/510118725.db2.gz DZBDWGQPLBWEBC-MRXNPFEDSA-N 1 2 373.497 2.850 20 30 FFEDLO Cc1nc(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)no1 ZINC000245860964 510173290 /nfs/dbraw/zinc/17/32/90/510173290.db2.gz QWGIRWIXGRXHRT-WFASDCNBSA-N 1 2 371.441 2.741 20 30 FFEDLO Cc1nc(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)no1 ZINC000245860964 510173298 /nfs/dbraw/zinc/17/32/98/510173298.db2.gz QWGIRWIXGRXHRT-WFASDCNBSA-N 1 2 371.441 2.741 20 30 FFEDLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245878405 510183523 /nfs/dbraw/zinc/18/35/23/510183523.db2.gz MZTCYBWNXMAEQQ-JKSUJKDBSA-N 1 2 372.494 2.743 20 30 FFEDLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245878405 510183526 /nfs/dbraw/zinc/18/35/26/510183526.db2.gz MZTCYBWNXMAEQQ-JKSUJKDBSA-N 1 2 372.494 2.743 20 30 FFEDLO Cc1cn2cc(NC(=O)N3CCN(c4ccccc4C#N)CC3)ccc2[nH+]1 ZINC000265728717 510197512 /nfs/dbraw/zinc/19/75/12/510197512.db2.gz ROXPOGXMQLJMGP-UHFFFAOYSA-N 1 2 360.421 2.869 20 30 FFEDLO COc1ccc(C#N)cc1C[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000180976997 510217392 /nfs/dbraw/zinc/21/73/92/510217392.db2.gz PGLUALYLIIYEQO-UHFFFAOYSA-N 1 2 361.449 2.761 20 30 FFEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000177726326 510219836 /nfs/dbraw/zinc/21/98/36/510219836.db2.gz HFBTWBOHPWPXDM-SXBQZSJRSA-N 1 2 355.463 2.927 20 30 FFEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000177726326 510219842 /nfs/dbraw/zinc/21/98/42/510219842.db2.gz HFBTWBOHPWPXDM-SXBQZSJRSA-N 1 2 355.463 2.927 20 30 FFEDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H](O)c1ccc(C#N)cc1 ZINC000177742316 510228555 /nfs/dbraw/zinc/22/85/55/510228555.db2.gz UIGTXUDWCNONBD-SFHVURJKSA-N 1 2 374.824 2.626 20 30 FFEDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H](O)c1ccc(C#N)cc1 ZINC000177742316 510228560 /nfs/dbraw/zinc/22/85/60/510228560.db2.gz UIGTXUDWCNONBD-SFHVURJKSA-N 1 2 374.824 2.626 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)c1 ZINC000171625147 510259494 /nfs/dbraw/zinc/25/94/94/510259494.db2.gz BFGINQQSQQLDIM-SFHVURJKSA-N 1 2 373.453 2.640 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)c1 ZINC000171625147 510259497 /nfs/dbraw/zinc/25/94/97/510259497.db2.gz BFGINQQSQQLDIM-SFHVURJKSA-N 1 2 373.453 2.640 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000246121472 510307238 /nfs/dbraw/zinc/30/72/38/510307238.db2.gz OGYUWBZNWULLLG-SJLPKXTDSA-N 1 2 374.462 2.513 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000246121472 510307240 /nfs/dbraw/zinc/30/72/40/510307240.db2.gz OGYUWBZNWULLLG-SJLPKXTDSA-N 1 2 374.462 2.513 20 30 FFEDLO C=CCSCCNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000194475547 510384325 /nfs/dbraw/zinc/38/43/25/510384325.db2.gz OMMBXVSWPJCOIK-UHFFFAOYSA-N 1 2 358.467 2.561 20 30 FFEDLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000174973627 510413580 /nfs/dbraw/zinc/41/35/80/510413580.db2.gz JSLSGQBLEDRGDD-GFCCVEGCSA-N 1 2 371.384 2.905 20 30 FFEDLO C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000174973627 510413586 /nfs/dbraw/zinc/41/35/86/510413586.db2.gz JSLSGQBLEDRGDD-GFCCVEGCSA-N 1 2 371.384 2.905 20 30 FFEDLO C=CCSCCNC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000194633713 510456625 /nfs/dbraw/zinc/45/66/25/510456625.db2.gz FTOLJHIRXFOLFR-UHFFFAOYSA-N 1 2 367.490 2.581 20 30 FFEDLO Cc1c(NC(=O)[C@@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C)cccc1[N+](=O)[O-] ZINC000266247113 510480607 /nfs/dbraw/zinc/48/06/07/510480607.db2.gz YZWICSJNYSVSOZ-QWHCGFSZSA-N 1 2 366.418 2.580 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000266266279 510489679 /nfs/dbraw/zinc/48/96/79/510489679.db2.gz OXIYPJQXSZJAMU-LJQANCHMSA-N 1 2 373.453 2.626 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000246592457 510572338 /nfs/dbraw/zinc/57/23/38/510572338.db2.gz JQRMXSRJHHBIPT-JTJHWIPRSA-N 1 2 368.525 2.762 20 30 FFEDLO CCSCC[C@H](C)[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000266628783 510697103 /nfs/dbraw/zinc/69/71/03/510697103.db2.gz OUBCEHWMRVBGOO-ZFWWWQNUSA-N 1 2 372.494 2.975 20 30 FFEDLO CCSCC[C@H](C)[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000266628783 510697108 /nfs/dbraw/zinc/69/71/08/510697108.db2.gz OUBCEHWMRVBGOO-ZFWWWQNUSA-N 1 2 372.494 2.975 20 30 FFEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000182119481 510766680 /nfs/dbraw/zinc/76/66/80/510766680.db2.gz KALOGQKQTRZQHP-JXFKEZNVSA-N 1 2 365.433 2.817 20 30 FFEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000182119481 510766686 /nfs/dbraw/zinc/76/66/86/510766686.db2.gz KALOGQKQTRZQHP-JXFKEZNVSA-N 1 2 365.433 2.817 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000247376921 510859145 /nfs/dbraw/zinc/85/91/45/510859145.db2.gz PNNSOSRBJLEDRX-YSIASYRMSA-N 1 2 371.481 2.510 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000247376921 510859146 /nfs/dbraw/zinc/85/91/46/510859146.db2.gz PNNSOSRBJLEDRX-YSIASYRMSA-N 1 2 371.481 2.510 20 30 FFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@H]1CCCS1 ZINC000329905164 510874178 /nfs/dbraw/zinc/87/41/78/510874178.db2.gz AMEPIGWNFDOAPT-SOUVJXGZSA-N 1 2 370.494 2.603 20 30 FFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@H]1CCCS1 ZINC000329905164 510874180 /nfs/dbraw/zinc/87/41/80/510874180.db2.gz AMEPIGWNFDOAPT-SOUVJXGZSA-N 1 2 370.494 2.603 20 30 FFEDLO CCN1CCN([C@@H](C)C(=O)Nc2nc(C)c(C)s2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329925536 510879327 /nfs/dbraw/zinc/87/93/27/510879327.db2.gz VNEBWEJWRJHOMN-GXTWGEPZSA-N 1 2 362.503 2.838 20 30 FFEDLO CCN1CCN(C(=O)NCCOC2CCCCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329985791 510893272 /nfs/dbraw/zinc/89/32/72/510893272.db2.gz DOXAQPQBXMVDKN-QGZVFWFLSA-N 1 2 363.506 2.742 20 30 FFEDLO CCN1CCN(C(=O)NCC2(C)Cc3ccccc3C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329984450 510893295 /nfs/dbraw/zinc/89/32/95/510893295.db2.gz CFXCCDJTSFEBJW-GOSISDBHSA-N 1 2 367.497 2.807 20 30 FFEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000330036098 510903946 /nfs/dbraw/zinc/90/39/46/510903946.db2.gz XXRRVOCBWBWDDC-QWHZDKJVSA-N 1 2 354.454 2.794 20 30 FFEDLO CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])N1CCC(c3c[nH+]c[nH]3)CC1)CC2 ZINC000330041883 510905673 /nfs/dbraw/zinc/90/56/73/510905673.db2.gz GKFWQFWTCAQVBZ-MRXNPFEDSA-N 1 2 356.474 2.838 20 30 FFEDLO C[C@]1(O)CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000330047329 510906538 /nfs/dbraw/zinc/90/65/38/510906538.db2.gz HNYPOWAUKVQAQS-YJBOKZPZSA-N 1 2 369.868 2.987 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)Nc2nc(C(C)(C)C)cs2)CCN1C ZINC000330064448 510910411 /nfs/dbraw/zinc/91/04/11/510910411.db2.gz RDLMWWHKHWMZDX-LBPRGKRZSA-N 1 2 362.503 2.708 20 30 FFEDLO CC(C)[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1nncn1C ZINC000285458007 510913997 /nfs/dbraw/zinc/91/39/97/510913997.db2.gz TWTOXZIFZWBGHG-KRWDZBQOSA-N 1 2 374.876 2.702 20 30 FFEDLO COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330138040 510923593 /nfs/dbraw/zinc/92/35/93/510923593.db2.gz VIOFMPRPNCHQCF-FTRWYGJKSA-N 1 2 362.470 2.983 20 30 FFEDLO COc1ccccc1[C@H](C)NC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330138040 510923598 /nfs/dbraw/zinc/92/35/98/510923598.db2.gz VIOFMPRPNCHQCF-FTRWYGJKSA-N 1 2 362.470 2.983 20 30 FFEDLO CC(=O)N1CC[C@H](C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000330173899 510930071 /nfs/dbraw/zinc/93/00/71/510930071.db2.gz HUWJELPGQWEMFK-DAYGRLMNSA-N 1 2 359.470 2.752 20 30 FFEDLO CC(=O)N1CC[C@H](C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000330173899 510930075 /nfs/dbraw/zinc/93/00/75/510930075.db2.gz HUWJELPGQWEMFK-DAYGRLMNSA-N 1 2 359.470 2.752 20 30 FFEDLO Cc1cccc(N2CCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CC2)c1C ZINC000330197854 510934930 /nfs/dbraw/zinc/93/49/30/510934930.db2.gz SJYARBNTDCBFQP-KRWDZBQOSA-N 1 2 353.470 2.551 20 30 FFEDLO Cc1cccc(N2CCN(C(=O)N[C@H]3CCn4cc[nH+]c4C3)CC2)c1C ZINC000330197854 510934934 /nfs/dbraw/zinc/93/49/34/510934934.db2.gz SJYARBNTDCBFQP-KRWDZBQOSA-N 1 2 353.470 2.551 20 30 FFEDLO CC(C)c1cnc(NC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)s1 ZINC000330252854 510948194 /nfs/dbraw/zinc/94/81/94/510948194.db2.gz IOWLOMFOTDUHKU-AWEZNQCLSA-N 1 2 352.504 2.855 20 30 FFEDLO CC(C)c1cnc(NC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000330252854 510948196 /nfs/dbraw/zinc/94/81/96/510948196.db2.gz IOWLOMFOTDUHKU-AWEZNQCLSA-N 1 2 352.504 2.855 20 30 FFEDLO CC[NH+]=C([O-])N(C)c1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000330328566 510964742 /nfs/dbraw/zinc/96/47/42/510964742.db2.gz LUTNMFDSTIFGQB-IAGOWNOFSA-N 1 2 359.474 2.819 20 30 FFEDLO CC[NH+]=C([O-])N(C)c1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000330328566 510964744 /nfs/dbraw/zinc/96/47/44/510964744.db2.gz LUTNMFDSTIFGQB-IAGOWNOFSA-N 1 2 359.474 2.819 20 30 FFEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1)c1ccccc1 ZINC000277734929 510970614 /nfs/dbraw/zinc/97/06/14/510970614.db2.gz KISVQGQRLDIWPN-WMLDXEAASA-N 1 2 369.387 2.568 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1)c1ccccc1 ZINC000277734929 510970618 /nfs/dbraw/zinc/97/06/18/510970618.db2.gz KISVQGQRLDIWPN-WMLDXEAASA-N 1 2 369.387 2.568 20 30 FFEDLO COc1ccc(NC(=O)N[C@H](C)C[NH+]2CCOCC2)c(Br)c1 ZINC000330463173 510984542 /nfs/dbraw/zinc/98/45/42/510984542.db2.gz CDXQQBKCZCWNMU-LLVKDONJSA-N 1 2 372.263 2.504 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@](F)(CO)C2)c1 ZINC000286753512 511031730 /nfs/dbraw/zinc/03/17/30/511031730.db2.gz FLMJYXCLNPNOIX-FXAWDEMLSA-N 1 2 361.461 2.735 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@](F)(CO)C2)c1 ZINC000286753512 511031734 /nfs/dbraw/zinc/03/17/34/511031734.db2.gz FLMJYXCLNPNOIX-FXAWDEMLSA-N 1 2 361.461 2.735 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000331108087 511042726 /nfs/dbraw/zinc/04/27/26/511042726.db2.gz AOUNWBIOLWUYTM-VCBZYWHSSA-N 1 2 362.449 2.507 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000331108087 511042730 /nfs/dbraw/zinc/04/27/30/511042730.db2.gz AOUNWBIOLWUYTM-VCBZYWHSSA-N 1 2 362.449 2.507 20 30 FFEDLO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000331202427 511049760 /nfs/dbraw/zinc/04/97/60/511049760.db2.gz XLRKRNLHEXTUOP-AWEZNQCLSA-N 1 2 368.275 2.945 20 30 FFEDLO CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000331202427 511049765 /nfs/dbraw/zinc/04/97/65/511049765.db2.gz XLRKRNLHEXTUOP-AWEZNQCLSA-N 1 2 368.275 2.945 20 30 FFEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000331306863 511058656 /nfs/dbraw/zinc/05/86/56/511058656.db2.gz ZVWTVOGYQLFMAU-QWHCGFSZSA-N 1 2 353.850 2.622 20 30 FFEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000331306863 511058659 /nfs/dbraw/zinc/05/86/59/511058659.db2.gz ZVWTVOGYQLFMAU-QWHCGFSZSA-N 1 2 353.850 2.622 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000331327947 511061633 /nfs/dbraw/zinc/06/16/33/511061633.db2.gz GEHVHTKMKBUZMO-IFXJQAMLSA-N 1 2 362.449 2.507 20 30 FFEDLO C=CCCCCNC(=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000288640935 511081651 /nfs/dbraw/zinc/08/16/51/511081651.db2.gz AGYLVXTWHOWIEA-UHFFFAOYSA-N 1 2 368.481 2.605 20 30 FFEDLO COc1ccc(C[N@H+](CCS(C)(=O)=O)C(C)C)cc1OCCCC#N ZINC000271197514 511117858 /nfs/dbraw/zinc/11/78/58/511117858.db2.gz UVFXDSPXCSPXAI-UHFFFAOYSA-N 1 2 368.499 2.633 20 30 FFEDLO COc1ccc(C[N@@H+](CCS(C)(=O)=O)C(C)C)cc1OCCCC#N ZINC000271197514 511117861 /nfs/dbraw/zinc/11/78/61/511117861.db2.gz UVFXDSPXCSPXAI-UHFFFAOYSA-N 1 2 368.499 2.633 20 30 FFEDLO C#CCCOc1ccc(CNc2cccc(C[N@@H+]3CCNC(=O)C3)c2)cc1 ZINC000291146291 511159988 /nfs/dbraw/zinc/15/99/88/511159988.db2.gz YWQKAUGNAYVNQV-UHFFFAOYSA-N 1 2 363.461 2.633 20 30 FFEDLO C#CCCOc1ccc(CNc2cccc(C[N@H+]3CCNC(=O)C3)c2)cc1 ZINC000291146291 511159993 /nfs/dbraw/zinc/15/99/93/511159993.db2.gz YWQKAUGNAYVNQV-UHFFFAOYSA-N 1 2 363.461 2.633 20 30 FFEDLO COC(=O)c1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)oc1C ZINC000298111596 511178145 /nfs/dbraw/zinc/17/81/45/511178145.db2.gz YWLJOFXZDOWSNQ-NSHDSACASA-N 1 2 373.409 2.915 20 30 FFEDLO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)oc1C ZINC000298111596 511178148 /nfs/dbraw/zinc/17/81/48/511178148.db2.gz YWLJOFXZDOWSNQ-NSHDSACASA-N 1 2 373.409 2.915 20 30 FFEDLO CC(C)C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1nc(-c2nc[nH]n2)no1 ZINC000271666666 511280237 /nfs/dbraw/zinc/28/02/37/511280237.db2.gz MFTHSFGDXZBFRO-CQSZACIVSA-N 1 2 355.377 2.742 20 30 FFEDLO COc1cccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)c1OC ZINC000291678992 511294512 /nfs/dbraw/zinc/29/45/12/511294512.db2.gz XBBDFEVMDHJITI-UHFFFAOYSA-N 1 2 358.467 2.663 20 30 FFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000333701625 511327930 /nfs/dbraw/zinc/32/79/30/511327930.db2.gz ODSPKYRYGNQGJO-FNEFKXFVSA-N 1 2 367.559 2.539 20 30 FFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000333701625 511327934 /nfs/dbraw/zinc/32/79/34/511327934.db2.gz ODSPKYRYGNQGJO-FNEFKXFVSA-N 1 2 367.559 2.539 20 30 FFEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000295434900 511404540 /nfs/dbraw/zinc/40/45/40/511404540.db2.gz OYKWOXFXOQSPQB-FZMZJTMJSA-N 1 2 368.275 2.744 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000272504223 511496398 /nfs/dbraw/zinc/49/63/98/511496398.db2.gz FBLCYCLXVCYCRY-MRXNPFEDSA-N 1 2 354.454 2.956 20 30 FFEDLO CCc1ccc([C@H](COC)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000299138884 511528674 /nfs/dbraw/zinc/52/86/74/511528674.db2.gz WHUAWGODEVQORK-MSOLQXFVSA-N 1 2 353.422 2.796 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000299180316 511542832 /nfs/dbraw/zinc/54/28/32/511542832.db2.gz QUQBKMISLZJQJN-INIZCTEOSA-N 1 2 367.453 2.908 20 30 FFEDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)c1 ZINC000292321410 511552462 /nfs/dbraw/zinc/55/24/62/511552462.db2.gz VVJUUILYSVRVFJ-QGZVFWFLSA-N 1 2 350.422 2.662 20 30 FFEDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)c1 ZINC000292321410 511552465 /nfs/dbraw/zinc/55/24/65/511552465.db2.gz VVJUUILYSVRVFJ-QGZVFWFLSA-N 1 2 350.422 2.662 20 30 FFEDLO C=CCn1c([C@H]2CCCO2)nnc1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000296011502 511588658 /nfs/dbraw/zinc/58/86/58/511588658.db2.gz RBNKQZJGKUKMLE-HUUCEWRRSA-N 1 2 374.514 2.655 20 30 FFEDLO COC(=O)c1ccc(/C=C/C(=O)c2ccc(O)c(C[NH+]3CCOCC3)c2)o1 ZINC000299595115 511664746 /nfs/dbraw/zinc/66/47/46/511664746.db2.gz YYYRNMAMYQHWBH-ZZXKWVIFSA-N 1 2 371.389 2.500 20 30 FFEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1O ZINC000299628882 511665554 /nfs/dbraw/zinc/66/55/54/511665554.db2.gz KUFPFNLFJIWPFM-DGURAOSJSA-N 1 2 363.458 2.654 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C2OCCO2)CC1 ZINC000299641460 511665962 /nfs/dbraw/zinc/66/59/62/511665962.db2.gz MXIFWRSNNTYYHC-UHFFFAOYSA-N 1 2 362.495 2.988 20 30 FFEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(O)(Cc3ccccc3F)CC2)c1 ZINC000365863860 511696988 /nfs/dbraw/zinc/69/69/88/511696988.db2.gz RPLKSUVVYBNJRR-UHFFFAOYSA-N 1 2 367.424 2.705 20 30 FFEDLO CC(C)(C#N)c1ccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000281035897 511697469 /nfs/dbraw/zinc/69/74/69/511697469.db2.gz YVVGTHCFLCTMFY-UHFFFAOYSA-N 1 2 364.449 2.649 20 30 FFEDLO C#CC[NH+]1CCN(c2nn3cc(-c4ccc(Cl)cc4)nc3s2)CC1 ZINC000302560654 511709766 /nfs/dbraw/zinc/70/97/66/511709766.db2.gz ZVYCOUSNTSZQTC-UHFFFAOYSA-N 1 2 357.870 2.866 20 30 FFEDLO CC[C@@H](C#N)Oc1cccc(CNc2cc(N3CCOCC3)nc[nH+]2)c1 ZINC000302873050 511718299 /nfs/dbraw/zinc/71/82/99/511718299.db2.gz CHKONPWVXFGYFX-INIZCTEOSA-N 1 2 353.426 2.606 20 30 FFEDLO CC[C@@H](C#N)Oc1cccc(CNc2cc(N3CCOCC3)[nH+]cn2)c1 ZINC000302873050 511718306 /nfs/dbraw/zinc/71/83/06/511718306.db2.gz CHKONPWVXFGYFX-INIZCTEOSA-N 1 2 353.426 2.606 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2Cl)C1=O ZINC000281306397 511797879 /nfs/dbraw/zinc/79/78/79/511797879.db2.gz KHFGFBKSLDDDRA-CQSZACIVSA-N 1 2 356.253 2.651 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2Cl)C1=O ZINC000281306397 511797884 /nfs/dbraw/zinc/79/78/84/511797884.db2.gz KHFGFBKSLDDDRA-CQSZACIVSA-N 1 2 356.253 2.651 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Br)c(OC)s2)C1=O ZINC000281353975 511815617 /nfs/dbraw/zinc/81/56/17/511815617.db2.gz UKFWGIBFXFINQF-LBPRGKRZSA-N 1 2 359.289 2.738 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(Br)c(OC)s2)C1=O ZINC000281353975 511815618 /nfs/dbraw/zinc/81/56/18/511815618.db2.gz UKFWGIBFXFINQF-LBPRGKRZSA-N 1 2 359.289 2.738 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)c2nc3sc(C)c(C)c3c(N)n2)C1=O ZINC000281453644 511853315 /nfs/dbraw/zinc/85/33/15/511853315.db2.gz UUGAKBIRQVFNJH-WCQYABFASA-N 1 2 359.499 2.670 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2nc3sc(C)c(C)c3c(N)n2)C1=O ZINC000281453644 511853322 /nfs/dbraw/zinc/85/33/22/511853322.db2.gz UUGAKBIRQVFNJH-WCQYABFASA-N 1 2 359.499 2.670 20 30 FFEDLO Cc1oc(NC(=O)C[NH+]2CCC(CO)(c3ccccc3)CC2)c(C#N)c1C ZINC000293156377 511862027 /nfs/dbraw/zinc/86/20/27/511862027.db2.gz CBMFLIWZSNWKRZ-UHFFFAOYSA-N 1 2 367.449 2.733 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000281601367 511904482 /nfs/dbraw/zinc/90/44/82/511904482.db2.gz AJNYTVNKKBHTDB-UHFFFAOYSA-N 1 2 370.497 2.852 20 30 FFEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)Nc3cc(C)ccn3)CC2)no1 ZINC000328653505 511909525 /nfs/dbraw/zinc/90/95/25/511909525.db2.gz WWZNEXXBHYNVRP-OAHLLOKOSA-N 1 2 358.446 2.613 20 30 FFEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)Nc3cc(C)ccn3)CC2)no1 ZINC000328653505 511909529 /nfs/dbraw/zinc/90/95/29/511909529.db2.gz WWZNEXXBHYNVRP-OAHLLOKOSA-N 1 2 358.446 2.613 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCCCCC#N)[C@@H](C)C1 ZINC000281616607 511909544 /nfs/dbraw/zinc/90/95/44/511909544.db2.gz HGVVPVDARLJFNT-KRWDZBQOSA-N 1 2 358.486 2.995 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCCCCC#N)[C@@H](C)C1 ZINC000281616607 511909549 /nfs/dbraw/zinc/90/95/49/511909549.db2.gz HGVVPVDARLJFNT-KRWDZBQOSA-N 1 2 358.486 2.995 20 30 FFEDLO C[C@@H]1Oc2ccc(NC(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)cc2NC1=O ZINC000328870840 511943646 /nfs/dbraw/zinc/94/36/46/511943646.db2.gz PRQQGGIEZCZQDP-NWDGAFQWSA-N 1 2 355.398 2.824 20 30 FFEDLO CC[C@@H]1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C[C@H]1O ZINC000328878357 511944071 /nfs/dbraw/zinc/94/40/71/511944071.db2.gz JCIRPPDUVADHHM-GZBFAFLISA-N 1 2 352.504 2.623 20 30 FFEDLO CC[C@@H]1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C[C@H]1O ZINC000328878357 511944080 /nfs/dbraw/zinc/94/40/80/511944080.db2.gz JCIRPPDUVADHHM-GZBFAFLISA-N 1 2 352.504 2.623 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccsc3)CC2)cc1 ZINC000284976975 511953884 /nfs/dbraw/zinc/95/38/84/511953884.db2.gz BNPHFYKGXZKLOZ-UHFFFAOYSA-N 1 2 361.492 2.516 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccsc3)CC2)cc1 ZINC000284976975 511953890 /nfs/dbraw/zinc/95/38/90/511953890.db2.gz BNPHFYKGXZKLOZ-UHFFFAOYSA-N 1 2 361.492 2.516 20 30 FFEDLO Cc1ccc([C@H](NC(=O)C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)C2CC2)cc1 ZINC000328998916 511964845 /nfs/dbraw/zinc/96/48/45/511964845.db2.gz XAKBRPPHTOQLRC-AOIWGVFYSA-N 1 2 356.470 2.705 20 30 FFEDLO Cc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)C2CC2)cc1 ZINC000328998916 511964848 /nfs/dbraw/zinc/96/48/48/511964848.db2.gz XAKBRPPHTOQLRC-AOIWGVFYSA-N 1 2 356.470 2.705 20 30 FFEDLO C=CC[C@H](C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)c1ccccc1 ZINC000274983350 512006070 /nfs/dbraw/zinc/00/60/70/512006070.db2.gz FORKKVXJRCDCHU-IBGZPJMESA-N 1 2 351.450 2.894 20 30 FFEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000281907446 512007766 /nfs/dbraw/zinc/00/77/66/512007766.db2.gz VHOBXXUGVCMIRI-CRAIPNDOSA-N 1 2 358.417 2.792 20 30 FFEDLO C[C@@H]1CCCCN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000329259848 512016638 /nfs/dbraw/zinc/01/66/38/512016638.db2.gz AICLQOZAQQYJEA-IDHHARJASA-N 1 2 373.501 2.651 20 30 FFEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000329261539 512016660 /nfs/dbraw/zinc/01/66/60/512016660.db2.gz DYIWYUNIWLHZSF-LSDHHAIUSA-N 1 2 371.489 2.819 20 30 FFEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000329261539 512016661 /nfs/dbraw/zinc/01/66/61/512016661.db2.gz DYIWYUNIWLHZSF-LSDHHAIUSA-N 1 2 371.489 2.819 20 30 FFEDLO O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)N1CCn2cc[nH+]c2C1 ZINC000329279495 512018244 /nfs/dbraw/zinc/01/82/44/512018244.db2.gz LQAXUJGOSBRNLP-GFCCVEGCSA-N 1 2 363.824 2.684 20 30 FFEDLO O=C(Nc1ccccc1CN1CCNC1=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329299677 512022766 /nfs/dbraw/zinc/02/27/66/512022766.db2.gz VEUZUHRPUSSYAQ-HNNXBMFYSA-N 1 2 368.441 2.564 20 30 FFEDLO Cc1cc(NC(=O)[C@H]2CCS(=O)(=O)C2)c[nH+]c1N1CCCC[C@H]1C ZINC000329316331 512026420 /nfs/dbraw/zinc/02/64/20/512026420.db2.gz CWPYIPYNAALCGK-KGLIPLIRSA-N 1 2 351.472 2.792 20 30 FFEDLO Cc1cc(NC(=O)NC[C@]2(O)CCSC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329359306 512033501 /nfs/dbraw/zinc/03/35/01/512033501.db2.gz XLPGSSUSKGDXKS-KBXCAEBGSA-N 1 2 364.515 2.963 20 30 FFEDLO O=C(NC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1)C1CCCCC1 ZINC000329427577 512044587 /nfs/dbraw/zinc/04/45/87/512044587.db2.gz HJFSLCOZPMUBFJ-MRXNPFEDSA-N 1 2 358.486 2.973 20 30 FFEDLO C[C@H](c1cccc(NC(=O)N2CCOCC3(CC3)C2)c1)[NH+]1CCOCC1 ZINC000329429287 512045224 /nfs/dbraw/zinc/04/52/24/512045224.db2.gz GYWAOKREAQMACO-MRXNPFEDSA-N 1 2 359.470 2.738 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](CCC)CC(=O)Nc2ccc(F)c(F)c2F)C1=O ZINC000282092715 512072462 /nfs/dbraw/zinc/07/24/62/512072462.db2.gz VIDCKACUQYCQFA-AWEZNQCLSA-N 1 2 369.387 2.541 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](CCC)CC(=O)Nc2ccc(F)c(F)c2F)C1=O ZINC000282092715 512072467 /nfs/dbraw/zinc/07/24/67/512072467.db2.gz VIDCKACUQYCQFA-AWEZNQCLSA-N 1 2 369.387 2.541 20 30 FFEDLO C[C@@H](C(=O)NCC1CCC(C#N)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000282154169 512090202 /nfs/dbraw/zinc/09/02/02/512090202.db2.gz CWTUAVHQZSKIRL-AOCRQIFASA-N 1 2 372.488 2.782 20 30 FFEDLO CC1CC[NH+](C[C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)C2)CC1 ZINC000329732892 512092263 /nfs/dbraw/zinc/09/22/63/512092263.db2.gz JEQMUZNNEDWEGQ-DLBZAZTESA-N 1 2 359.518 2.625 20 30 FFEDLO CC1CC[NH+](C[C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)C2)CC1 ZINC000329732892 512092265 /nfs/dbraw/zinc/09/22/65/512092265.db2.gz JEQMUZNNEDWEGQ-DLBZAZTESA-N 1 2 359.518 2.625 20 30 FFEDLO CCc1nc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)sc1C ZINC000329733230 512092553 /nfs/dbraw/zinc/09/25/53/512092553.db2.gz QRQOELSMVQPESR-CQSZACIVSA-N 1 2 364.515 2.936 20 30 FFEDLO CCc1nc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)sc1C ZINC000329733230 512092555 /nfs/dbraw/zinc/09/25/55/512092555.db2.gz QRQOELSMVQPESR-CQSZACIVSA-N 1 2 364.515 2.936 20 30 FFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000329811559 512100483 /nfs/dbraw/zinc/10/04/83/512100483.db2.gz RMGQOIAFGFMLEP-ZDUSSCGKSA-N 1 2 374.876 2.550 20 30 FFEDLO Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cn1 ZINC000329890975 512105660 /nfs/dbraw/zinc/10/56/60/512105660.db2.gz HDEWSWSNVWCABM-RVKKMQEKSA-N 1 2 371.485 2.963 20 30 FFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000411193014 512514471 /nfs/dbraw/zinc/51/44/71/512514471.db2.gz NBOMKIKTFYNYEW-GOSISDBHSA-N 1 2 369.425 2.512 20 30 FFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000411193014 512514475 /nfs/dbraw/zinc/51/44/75/512514475.db2.gz NBOMKIKTFYNYEW-GOSISDBHSA-N 1 2 369.425 2.512 20 30 FFEDLO N#Cc1ccc(-n2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)n2)c(F)c1 ZINC000371699275 512533436 /nfs/dbraw/zinc/53/34/36/512533436.db2.gz FHEUELVUAASPAO-UHFFFAOYSA-N 1 2 372.363 2.743 20 30 FFEDLO COc1ccccc1[C@H](NC(=O)c1cc(C#N)oc1C)c1[nH+]ccn1C ZINC000369856662 512649587 /nfs/dbraw/zinc/64/95/87/512649587.db2.gz OELCGHWRBCCIEJ-KRWDZBQOSA-N 1 2 350.378 2.721 20 30 FFEDLO CCC(CC)([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)OC ZINC000411542003 512680788 /nfs/dbraw/zinc/68/07/88/512680788.db2.gz PKXGNEVCUWLHEX-UHFFFAOYSA-N 1 2 351.834 2.862 20 30 FFEDLO CCOc1ccccc1NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374293444 512750942 /nfs/dbraw/zinc/75/09/42/512750942.db2.gz PJHLDVCGZKDPFU-UHFFFAOYSA-N 1 2 364.449 2.976 20 30 FFEDLO C[C@@H](C(=O)NCc1cccs1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374321606 512766256 /nfs/dbraw/zinc/76/62/56/512766256.db2.gz BQCURZVHNSLMAJ-HNNXBMFYSA-N 1 2 354.479 2.705 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411947800 512885068 /nfs/dbraw/zinc/88/50/68/512885068.db2.gz PKMHPBFPRATWLV-SJLPKXTDSA-N 1 2 355.825 2.958 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411947800 512885076 /nfs/dbraw/zinc/88/50/76/512885076.db2.gz PKMHPBFPRATWLV-SJLPKXTDSA-N 1 2 355.825 2.958 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000368455308 512956224 /nfs/dbraw/zinc/95/62/24/512956224.db2.gz OHTQSNNKBOGPNW-SFHVURJKSA-N 1 2 373.391 2.882 20 30 FFEDLO Cc1csc2nc(C[NH+]3CCC(C#N)(c4ccccn4)CC3)cc(=O)n12 ZINC000376738634 512966430 /nfs/dbraw/zinc/96/64/30/512966430.db2.gz UTYFYMDQRMLCLR-UHFFFAOYSA-N 1 2 365.462 2.517 20 30 FFEDLO N#CCOc1cccc(CC(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)c1 ZINC000374870012 513047009 /nfs/dbraw/zinc/04/70/09/513047009.db2.gz WIADLSHPZOQLPQ-IBGZPJMESA-N 1 2 369.852 2.958 20 30 FFEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000372841008 513068478 /nfs/dbraw/zinc/06/84/78/513068478.db2.gz LWKMAOLZCZLOHA-COXVUDFISA-N 1 2 364.877 2.513 20 30 FFEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000372841008 513068481 /nfs/dbraw/zinc/06/84/81/513068481.db2.gz LWKMAOLZCZLOHA-COXVUDFISA-N 1 2 364.877 2.513 20 30 FFEDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000368848460 513120699 /nfs/dbraw/zinc/12/06/99/513120699.db2.gz XDQKFWLBTBBVAU-WMLDXEAASA-N 1 2 368.437 2.781 20 30 FFEDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000368848460 513120702 /nfs/dbraw/zinc/12/07/02/513120702.db2.gz XDQKFWLBTBBVAU-WMLDXEAASA-N 1 2 368.437 2.781 20 30 FFEDLO O=S1(=O)CCC2(CC[NH+](CC#Cc3cccc(Cl)c3)CC2)CC1 ZINC000428704888 513168904 /nfs/dbraw/zinc/16/89/04/513168904.db2.gz CRSNGDVLWXAVQJ-UHFFFAOYSA-N 1 2 351.899 2.982 20 30 FFEDLO Cc1cc(CNC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc(C)[nH+]1 ZINC000421251802 513178170 /nfs/dbraw/zinc/17/81/70/513178170.db2.gz QVYJPTOHUDMAIK-UHFFFAOYSA-N 1 2 366.421 2.612 20 30 FFEDLO C=CCCn1cc(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)nn1 ZINC000424639907 513218008 /nfs/dbraw/zinc/21/80/08/513218008.db2.gz HGGARIPHHKBESJ-OAHLLOKOSA-N 1 2 357.433 2.512 20 30 FFEDLO CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1[nH]cc[nH+]1 ZINC000450672093 513298903 /nfs/dbraw/zinc/29/89/03/513298903.db2.gz JSEIVZBVKSWWCH-IUODEOHRSA-N 1 2 371.828 2.555 20 30 FFEDLO Cc1cc(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc(C)[nH+]1 ZINC000421573631 513314355 /nfs/dbraw/zinc/31/43/55/513314355.db2.gz BTFZGQIJCVSUCJ-KRWDZBQOSA-N 1 2 352.413 2.852 20 30 FFEDLO C=CC[N@@H+](Cc1ncnn1C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000434540032 513351346 /nfs/dbraw/zinc/35/13/46/513351346.db2.gz KOFYFNAXTIPBHV-HNNXBMFYSA-N 1 2 352.446 2.584 20 30 FFEDLO C=CC[N@H+](Cc1ncnn1C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000434540032 513351353 /nfs/dbraw/zinc/35/13/53/513351353.db2.gz KOFYFNAXTIPBHV-HNNXBMFYSA-N 1 2 352.446 2.584 20 30 FFEDLO C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000440624942 513366704 /nfs/dbraw/zinc/36/67/04/513366704.db2.gz JTCGZPOQMLRTQH-XMSQKQJNSA-N 1 2 374.488 2.847 20 30 FFEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2ccc(Cl)c(C#N)n2)C1 ZINC000440636719 513367778 /nfs/dbraw/zinc/36/77/78/513367778.db2.gz GKCZFEMVNHCKTB-KRWDZBQOSA-N 1 2 350.850 2.507 20 30 FFEDLO N#Cc1ncc(C(F)(F)F)cc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000413040817 513401568 /nfs/dbraw/zinc/40/15/68/513401568.db2.gz IRQPEZBLAYPTJG-UHFFFAOYSA-N 1 2 363.343 2.816 20 30 FFEDLO Cc1cc(N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000425241515 513469311 /nfs/dbraw/zinc/46/93/11/513469311.db2.gz NKWWZIVWFVOUEY-HNNXBMFYSA-N 1 2 374.366 2.915 20 30 FFEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447856539 513602127 /nfs/dbraw/zinc/60/21/27/513602127.db2.gz RKBNOMJOQSYENG-QZTJIDSGSA-N 1 2 369.465 2.860 20 30 FFEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447856539 513602133 /nfs/dbraw/zinc/60/21/33/513602133.db2.gz RKBNOMJOQSYENG-QZTJIDSGSA-N 1 2 369.465 2.860 20 30 FFEDLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425539369 513627298 /nfs/dbraw/zinc/62/72/98/513627298.db2.gz MMBFTDHHJZXSNO-HRAATJIYSA-N 1 2 363.461 2.868 20 30 FFEDLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425539369 513627308 /nfs/dbraw/zinc/62/73/08/513627308.db2.gz MMBFTDHHJZXSNO-HRAATJIYSA-N 1 2 363.461 2.868 20 30 FFEDLO C=CCC[C@@H](NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000435764420 513680615 /nfs/dbraw/zinc/68/06/15/513680615.db2.gz SXGVZZDUORIYEN-GOSISDBHSA-N 1 2 353.470 2.944 20 30 FFEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(C#N)n3C)CC2)cc1 ZINC000448579273 513791851 /nfs/dbraw/zinc/79/18/51/513791851.db2.gz SHVLIDRTOIKSLZ-UHFFFAOYSA-N 1 2 350.466 2.978 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cc(C#N)[nH]c3C)CC2)cc1 ZINC000448622461 513815979 /nfs/dbraw/zinc/81/59/79/513815979.db2.gz OALFNSJMMOABAA-UHFFFAOYSA-N 1 2 352.438 2.552 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1)c1ccc(F)c(F)c1 ZINC000426227437 513877140 /nfs/dbraw/zinc/87/71/40/513877140.db2.gz LRXJUIFGZBQOBT-YJBOKZPZSA-N 1 2 367.440 2.992 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC[N@H+]1CCO[C@@H](CC)C1)c1ccc(F)c(F)c1 ZINC000426227437 513877144 /nfs/dbraw/zinc/87/71/44/513877144.db2.gz LRXJUIFGZBQOBT-YJBOKZPZSA-N 1 2 367.440 2.992 20 30 FFEDLO COc1ccc2c(c1)C[N@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)CCO2 ZINC000451644082 513883759 /nfs/dbraw/zinc/88/37/59/513883759.db2.gz RWJDJFUZBWDTGQ-IBGZPJMESA-N 1 2 363.417 2.567 20 30 FFEDLO COc1ccc2c(c1)C[N@@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)CCO2 ZINC000451644082 513883763 /nfs/dbraw/zinc/88/37/63/513883763.db2.gz RWJDJFUZBWDTGQ-IBGZPJMESA-N 1 2 363.417 2.567 20 30 FFEDLO C=CCn1c(SC[C@H](O)C[N@H+](C)CCC#N)nnc1-c1cccc(C)c1 ZINC000414090879 513971805 /nfs/dbraw/zinc/97/18/05/513971805.db2.gz CZBSDQCNMQSRRF-QGZVFWFLSA-N 1 2 371.510 2.738 20 30 FFEDLO C=CCn1c(SC[C@H](O)C[N@@H+](C)CCC#N)nnc1-c1cccc(C)c1 ZINC000414090879 513971810 /nfs/dbraw/zinc/97/18/10/513971810.db2.gz CZBSDQCNMQSRRF-QGZVFWFLSA-N 1 2 371.510 2.738 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000414137975 513986431 /nfs/dbraw/zinc/98/64/31/513986431.db2.gz FDXCHSPWOUOIEF-QGZVFWFLSA-N 1 2 351.406 2.936 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000414137975 513986436 /nfs/dbraw/zinc/98/64/36/513986436.db2.gz FDXCHSPWOUOIEF-QGZVFWFLSA-N 1 2 351.406 2.936 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000448953933 513991070 /nfs/dbraw/zinc/99/10/70/513991070.db2.gz IPACBZJTCKZNTL-LBTNJELSSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000448953933 513991075 /nfs/dbraw/zinc/99/10/75/513991075.db2.gz IPACBZJTCKZNTL-LBTNJELSSA-N 1 2 350.409 2.637 20 30 FFEDLO C=CCn1c(SC[C@H](O)C[N@H+](C)CCC#N)nnc1-c1ccc(C)cc1 ZINC000414161815 513994399 /nfs/dbraw/zinc/99/43/99/513994399.db2.gz KTAIZEIMEZRBPN-QGZVFWFLSA-N 1 2 371.510 2.738 20 30 FFEDLO C=CCn1c(SC[C@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccc(C)cc1 ZINC000414161815 513994403 /nfs/dbraw/zinc/99/44/03/513994403.db2.gz KTAIZEIMEZRBPN-QGZVFWFLSA-N 1 2 371.510 2.738 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000437655624 514204515 /nfs/dbraw/zinc/20/45/15/514204515.db2.gz OJHVFRLRFBLACT-OALUTQOASA-N 1 2 354.454 2.712 20 30 FFEDLO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000437887685 514260506 /nfs/dbraw/zinc/26/05/06/514260506.db2.gz IQFQOBSQOXXESM-GOEBONIOSA-N 1 2 372.437 2.947 20 30 FFEDLO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000437887685 514260513 /nfs/dbraw/zinc/26/05/13/514260513.db2.gz IQFQOBSQOXXESM-GOEBONIOSA-N 1 2 372.437 2.947 20 30 FFEDLO C=CCCOCCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000437965083 514277336 /nfs/dbraw/zinc/27/73/36/514277336.db2.gz ULTJUUKQJCTQCV-RTWAWAEBSA-N 1 2 372.509 2.861 20 30 FFEDLO C=CCCOCCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000437965083 514277342 /nfs/dbraw/zinc/27/73/42/514277342.db2.gz ULTJUUKQJCTQCV-RTWAWAEBSA-N 1 2 372.509 2.861 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000438070269 514299366 /nfs/dbraw/zinc/29/93/66/514299366.db2.gz HFURJIBQIHVJJT-PKOBYXMFSA-N 1 2 361.461 2.634 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)c2cccc(SCC#N)c2)CCO1 ZINC000432882532 514312019 /nfs/dbraw/zinc/31/20/19/514312019.db2.gz ALKURHYBDVTTQU-WMLDXEAASA-N 1 2 356.451 2.686 20 30 FFEDLO N#Cc1cnc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c(Cl)c1 ZINC000427893508 514341335 /nfs/dbraw/zinc/34/13/35/514341335.db2.gz GPTPLDFFWVYMED-UHFFFAOYSA-N 1 2 351.797 2.781 20 30 FFEDLO N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000428008273 514372486 /nfs/dbraw/zinc/37/24/86/514372486.db2.gz ZSBXQVTTZDYRJO-OAHLLOKOSA-N 1 2 362.389 2.672 20 30 FFEDLO O=C1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)[C@H]2CCCC[C@H]2N1 ZINC000438542591 514399685 /nfs/dbraw/zinc/39/96/85/514399685.db2.gz WQOWJAUQZWIUNZ-CVEARBPZSA-N 1 2 352.356 2.680 20 30 FFEDLO O=C1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)[C@H]2CCCC[C@H]2N1 ZINC000438542591 514399688 /nfs/dbraw/zinc/39/96/88/514399688.db2.gz WQOWJAUQZWIUNZ-CVEARBPZSA-N 1 2 352.356 2.680 20 30 FFEDLO C=CCn1cc(C[NH2+]Cc2c(C)nn(Cc3ccc(C)cc3)c2C)nn1 ZINC000424167230 514405212 /nfs/dbraw/zinc/40/52/12/514405212.db2.gz CDJDSLMQPADKLD-UHFFFAOYSA-N 1 2 350.470 2.924 20 30 FFEDLO C[N@H+](CC(=O)NCCOc1cccc(C(F)(F)F)c1)CC(C)(C)C#N ZINC000433302836 514451243 /nfs/dbraw/zinc/45/12/43/514451243.db2.gz YRMITKUJHSAPJY-UHFFFAOYSA-N 1 2 357.376 2.682 20 30 FFEDLO C[N@@H+](CC(=O)NCCOc1cccc(C(F)(F)F)c1)CC(C)(C)C#N ZINC000433302836 514451247 /nfs/dbraw/zinc/45/12/47/514451247.db2.gz YRMITKUJHSAPJY-UHFFFAOYSA-N 1 2 357.376 2.682 20 30 FFEDLO C[N@H+](CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)CC(C)(C)C#N ZINC000433306411 514452676 /nfs/dbraw/zinc/45/26/76/514452676.db2.gz SGGHWDCVLFEIQD-UHFFFAOYSA-N 1 2 371.481 2.825 20 30 FFEDLO C[N@@H+](CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)CC(C)(C)C#N ZINC000433306411 514452679 /nfs/dbraw/zinc/45/26/79/514452679.db2.gz SGGHWDCVLFEIQD-UHFFFAOYSA-N 1 2 371.481 2.825 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)cc2)nc1 ZINC000428353491 514454851 /nfs/dbraw/zinc/45/48/51/514454851.db2.gz VGOTWXIIHVBMSX-MRXNPFEDSA-N 1 2 359.389 2.687 20 30 FFEDLO CCCCCNC(=O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471026621 514721650 /nfs/dbraw/zinc/72/16/50/514721650.db2.gz ZTJYFDXAOPUHFK-SFHVURJKSA-N 1 2 362.905 2.829 20 30 FFEDLO C[C@H](C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)c1cccc(C#N)c1 ZINC000461793122 514742696 /nfs/dbraw/zinc/74/26/96/514742696.db2.gz AITURUXGLGZAFS-KRWDZBQOSA-N 1 2 373.460 2.654 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000461898151 514775003 /nfs/dbraw/zinc/77/50/03/514775003.db2.gz ZWQWEPLJRSGXAB-AWEZNQCLSA-N 1 2 352.438 2.611 20 30 FFEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000479919405 514775932 /nfs/dbraw/zinc/77/59/32/514775932.db2.gz YGCUQASMLPSTPU-UHFFFAOYSA-N 1 2 353.422 2.653 20 30 FFEDLO C=CCn1c(CC(C)C)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000508492735 514798833 /nfs/dbraw/zinc/79/88/33/514798833.db2.gz KILOCKPNKDLYTG-UHFFFAOYSA-N 1 2 360.531 2.750 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453733809 514839979 /nfs/dbraw/zinc/83/99/79/514839979.db2.gz MFXPYTGQHVKZSS-KRWDZBQOSA-N 1 2 365.437 2.661 20 30 FFEDLO Cc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1OC(C)C ZINC000489593678 514908724 /nfs/dbraw/zinc/90/87/24/514908724.db2.gz QCOOPFHMDCLETN-UHFFFAOYSA-N 1 2 374.485 2.862 20 30 FFEDLO C=CCn1c(C)nnc1N1CC[NH+](Cc2cc(Cl)ccc2OC)CC1 ZINC000508932203 514959155 /nfs/dbraw/zinc/95/91/55/514959155.db2.gz SAWXMDBMYNFRLD-UHFFFAOYSA-N 1 2 361.877 2.757 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1C#N ZINC000509050630 515002070 /nfs/dbraw/zinc/00/20/70/515002070.db2.gz WOLSMJXWGABZAU-ACJLOTCBSA-N 1 2 358.486 2.733 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1C#N ZINC000509050630 515002078 /nfs/dbraw/zinc/00/20/78/515002078.db2.gz WOLSMJXWGABZAU-ACJLOTCBSA-N 1 2 358.486 2.733 20 30 FFEDLO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)c2[nH+]ccn21 ZINC000453984212 515094973 /nfs/dbraw/zinc/09/49/73/515094973.db2.gz TXHSASVSIKXVDL-ZYHUDNBSSA-N 1 2 371.466 2.874 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458852068 515143753 /nfs/dbraw/zinc/14/37/53/515143753.db2.gz VFZAQLCAWJHSHN-IEBWSBKVSA-N 1 2 358.486 2.784 20 30 FFEDLO Cc1nc(SCC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c(C#N)c(C)c1C ZINC000456393794 515152200 /nfs/dbraw/zinc/15/22/00/515152200.db2.gz RPTATWYWDYOGCG-MEBBXXQBSA-N 1 2 355.467 2.989 20 30 FFEDLO N#CCc1ccc(C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC000485858354 515219475 /nfs/dbraw/zinc/21/94/75/515219475.db2.gz NEXFTEACZMZZBQ-UHFFFAOYSA-N 1 2 367.400 2.945 20 30 FFEDLO CC[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](CC)CN1C(C)=O ZINC000472348525 515237729 /nfs/dbraw/zinc/23/77/29/515237729.db2.gz JCEPFCRNQVRYTC-ROUUACIJSA-N 1 2 367.453 2.830 20 30 FFEDLO CC[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](CC)CN1C(C)=O ZINC000472348525 515237740 /nfs/dbraw/zinc/23/77/40/515237740.db2.gz JCEPFCRNQVRYTC-ROUUACIJSA-N 1 2 367.453 2.830 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000481252609 515262130 /nfs/dbraw/zinc/26/21/30/515262130.db2.gz HHGOWNLCIMTKPT-SFHVURJKSA-N 1 2 367.453 2.892 20 30 FFEDLO CS(=O)(=O)N1CC[N@H+](CC#Cc2ccc(Cl)cc2)Cc2ccccc21 ZINC000490675568 515279506 /nfs/dbraw/zinc/27/95/06/515279506.db2.gz QRNCIFZPWKRGKM-UHFFFAOYSA-N 1 2 374.893 2.973 20 30 FFEDLO CS(=O)(=O)N1CC[N@@H+](CC#Cc2ccc(Cl)cc2)Cc2ccccc21 ZINC000490675568 515279516 /nfs/dbraw/zinc/27/95/16/515279516.db2.gz QRNCIFZPWKRGKM-UHFFFAOYSA-N 1 2 374.893 2.973 20 30 FFEDLO C=CC[C@@H](C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)c1ccccc1 ZINC000472667051 515357564 /nfs/dbraw/zinc/35/75/64/515357564.db2.gz DVVRNPPRLHVTLX-SLFFLAALSA-N 1 2 370.472 2.809 20 30 FFEDLO C=CC[C@@H](C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)c1ccccc1 ZINC000472667051 515357575 /nfs/dbraw/zinc/35/75/75/515357575.db2.gz DVVRNPPRLHVTLX-SLFFLAALSA-N 1 2 370.472 2.809 20 30 FFEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000454364311 515432860 /nfs/dbraw/zinc/43/28/60/515432860.db2.gz OWRPTPYIEJTGMT-UHFFFAOYSA-N 1 2 362.477 2.866 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)cc1 ZINC000459300044 515455562 /nfs/dbraw/zinc/45/55/62/515455562.db2.gz BSRZNCAIYQTYFA-UHFFFAOYSA-N 1 2 361.405 2.656 20 30 FFEDLO C=CC[N@@H+](Cc1cc(COC)on1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000459332407 515477596 /nfs/dbraw/zinc/47/75/96/515477596.db2.gz GOFADVTYOPRREG-CQSZACIVSA-N 1 2 354.414 2.546 20 30 FFEDLO C=CC[N@H+](Cc1cc(COC)on1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000459332407 515477605 /nfs/dbraw/zinc/47/76/05/515477605.db2.gz GOFADVTYOPRREG-CQSZACIVSA-N 1 2 354.414 2.546 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000499940946 515525069 /nfs/dbraw/zinc/52/50/69/515525069.db2.gz UIRNARAYKMJCPM-YLVFBTJISA-N 1 2 355.841 2.545 20 30 FFEDLO C=C(C)CN(CC)C(=O)CN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000510453282 515544219 /nfs/dbraw/zinc/54/42/19/515544219.db2.gz AHDUQIJTKIKSBI-UHFFFAOYSA-N 1 2 356.445 2.794 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCCN(c3ccccc3Cl)C2=O)C1=O ZINC000499988460 515547756 /nfs/dbraw/zinc/54/77/56/515547756.db2.gz PLFFLDXRHDXSNP-SJORKVTESA-N 1 2 361.873 2.554 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(c3ccccc3Cl)C2=O)C1=O ZINC000499988460 515547765 /nfs/dbraw/zinc/54/77/65/515547765.db2.gz PLFFLDXRHDXSNP-SJORKVTESA-N 1 2 361.873 2.554 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2c3ccccc3oc2C(=O)OCC)C1=O ZINC000499993962 515550000 /nfs/dbraw/zinc/55/00/00/515550000.db2.gz DJQCONVMUKRRLZ-MRXNPFEDSA-N 1 2 356.422 2.828 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2c3ccccc3oc2C(=O)OCC)C1=O ZINC000499993962 515550008 /nfs/dbraw/zinc/55/00/08/515550008.db2.gz DJQCONVMUKRRLZ-MRXNPFEDSA-N 1 2 356.422 2.828 20 30 FFEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000468868017 515557413 /nfs/dbraw/zinc/55/74/13/515557413.db2.gz HCHSAODZQDPUMI-INIZCTEOSA-N 1 2 356.470 2.597 20 30 FFEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000468868017 515557425 /nfs/dbraw/zinc/55/74/25/515557425.db2.gz HCHSAODZQDPUMI-INIZCTEOSA-N 1 2 356.470 2.597 20 30 FFEDLO C=C(C)CN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000473389078 515601353 /nfs/dbraw/zinc/60/13/53/515601353.db2.gz ZERQNALUBWOVGQ-UHFFFAOYSA-N 1 2 364.493 2.809 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000505625389 515613870 /nfs/dbraw/zinc/61/38/70/515613870.db2.gz ZWBOVEQOUCQFNF-UHFFFAOYSA-N 1 2 352.438 2.804 20 30 FFEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000463869604 515648409 /nfs/dbraw/zinc/64/84/09/515648409.db2.gz JUZMLKTZDPPXMG-UHFFFAOYSA-N 1 2 356.382 2.566 20 30 FFEDLO N#Cc1cc(NC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)ccc1F ZINC000454718240 515690741 /nfs/dbraw/zinc/69/07/41/515690741.db2.gz YSQBLJBQQDUKLI-UHFFFAOYSA-N 1 2 372.400 2.657 20 30 FFEDLO CC(C)(C)NC(=O)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000482502329 515697871 /nfs/dbraw/zinc/69/78/71/515697871.db2.gz KPLMNZPLIPTWHV-UHFFFAOYSA-N 1 2 358.486 2.995 20 30 FFEDLO C=CCc1cc(C[NH+]2CCN(C(=O)NC(C)(C)C)CC2)cc(OC)c1O ZINC000482511321 515700934 /nfs/dbraw/zinc/70/09/34/515700934.db2.gz QGWGACZEMXVERD-UHFFFAOYSA-N 1 2 361.486 2.755 20 30 FFEDLO Cn1c2ccc(NC(=O)C(=O)NCC(C)(C)CCC#N)cc2[nH+]c1C1CC1 ZINC000510966760 515731513 /nfs/dbraw/zinc/73/15/13/515731513.db2.gz BZHOAZHYCWSOJC-UHFFFAOYSA-N 1 2 367.453 2.835 20 30 FFEDLO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+]1CCC(F)(C#N)CC1 ZINC000510972178 515733059 /nfs/dbraw/zinc/73/30/59/515733059.db2.gz XJERQSDABLVXBS-CYBMUJFWSA-N 1 2 360.458 2.971 20 30 FFEDLO C=CCc1ccc(OCC(=O)Nc2nc(C[NH+](C)C)cs2)c(OC)c1 ZINC000457282218 515777733 /nfs/dbraw/zinc/77/77/33/515777733.db2.gz BGLLRBCFJWDLLJ-UHFFFAOYSA-N 1 2 361.467 2.959 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457293040 515787127 /nfs/dbraw/zinc/78/71/27/515787127.db2.gz PCXFUINHANMPAP-UHFFFAOYSA-N 1 2 360.487 2.503 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)NCC(C)(C)CCC#N)c[nH+]2)C[C@@H](C)O1 ZINC000478357610 515792142 /nfs/dbraw/zinc/79/21/42/515792142.db2.gz QKEOVSGAIIBOII-HZPDHXFCSA-N 1 2 373.501 2.824 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccn(C)n1 ZINC000459803995 515817689 /nfs/dbraw/zinc/81/76/89/515817689.db2.gz ZUGQGCQGDMQNAQ-ZIAGYGMSSA-N 1 2 357.483 2.961 20 30 FFEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000482913681 515845678 /nfs/dbraw/zinc/84/56/78/515845678.db2.gz GRCVMTYRHKWFTQ-KRWDZBQOSA-N 1 2 370.428 2.764 20 30 FFEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000482913681 515845688 /nfs/dbraw/zinc/84/56/88/515845688.db2.gz GRCVMTYRHKWFTQ-KRWDZBQOSA-N 1 2 370.428 2.764 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cc(Br)ccc1F ZINC000469591845 515882819 /nfs/dbraw/zinc/88/28/19/515882819.db2.gz YEVIJHDHEXJFID-NSHDSACASA-N 1 2 368.250 2.971 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cc(Br)ccc1F ZINC000469591845 515882827 /nfs/dbraw/zinc/88/28/27/515882827.db2.gz YEVIJHDHEXJFID-NSHDSACASA-N 1 2 368.250 2.971 20 30 FFEDLO CCc1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1CC ZINC000487621341 515925776 /nfs/dbraw/zinc/92/57/76/515925776.db2.gz SVAXWYFKQKIGKF-UHFFFAOYSA-N 1 2 358.486 2.891 20 30 FFEDLO CCOC(=O)COc1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000501005703 515936308 /nfs/dbraw/zinc/93/63/08/515936308.db2.gz RTLVMFSNRXIKAB-UHFFFAOYSA-N 1 2 350.378 2.760 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cnc(-c4ccccn4)s3)CC2)c1 ZINC000506689788 515955024 /nfs/dbraw/zinc/95/50/24/515955024.db2.gz MHXCTUOYFMFZFP-UHFFFAOYSA-N 1 2 362.462 2.794 20 30 FFEDLO Cc1ccc(C[N@H+](CCO)CC(=O)N(CCC#N)c2cccc(C)c2C)o1 ZINC000483212539 515987070 /nfs/dbraw/zinc/98/70/70/515987070.db2.gz RULQXQLVNQDXPQ-UHFFFAOYSA-N 1 2 369.465 2.946 20 30 FFEDLO Cc1ccc(C[N@@H+](CCO)CC(=O)N(CCC#N)c2cccc(C)c2C)o1 ZINC000483212539 515987078 /nfs/dbraw/zinc/98/70/78/515987078.db2.gz RULQXQLVNQDXPQ-UHFFFAOYSA-N 1 2 369.465 2.946 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(-c2ccccc2)no1 ZINC000464858095 515992564 /nfs/dbraw/zinc/99/25/64/515992564.db2.gz PPBLTPYTXZRGAY-HNNXBMFYSA-N 1 2 360.421 2.714 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(-c2ccccc2)no1 ZINC000464858095 515992575 /nfs/dbraw/zinc/99/25/75/515992575.db2.gz PPBLTPYTXZRGAY-HNNXBMFYSA-N 1 2 360.421 2.714 20 30 FFEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N[C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000455281043 516091654 /nfs/dbraw/zinc/09/16/54/516091654.db2.gz IBGKNYUQAZWYIQ-YSIASYRMSA-N 1 2 370.497 2.750 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)N(CC)CC)CC2)cc1OC ZINC000507203812 516123142 /nfs/dbraw/zinc/12/31/42/516123142.db2.gz OIPWLDSOOCAVGN-UHFFFAOYSA-N 1 2 361.486 2.839 20 30 FFEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccccc3C#N)CC2)[C@H]1C ZINC000507281139 516152671 /nfs/dbraw/zinc/15/26/71/516152671.db2.gz SOSFSEMNSARXQU-ZIFCJYIRSA-N 1 2 354.498 2.621 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000507293710 516159674 /nfs/dbraw/zinc/15/96/74/516159674.db2.gz SXZCTIVGQNNRCR-SFHVURJKSA-N 1 2 363.546 2.914 20 30 FFEDLO N#CCCN(C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000507294506 516161603 /nfs/dbraw/zinc/16/16/03/516161603.db2.gz WHYMYKAWAABGDC-UHFFFAOYSA-N 1 2 373.460 2.627 20 30 FFEDLO CN(CC1CCCCC1)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507322592 516172687 /nfs/dbraw/zinc/17/26/87/516172687.db2.gz WPVUURQVIYCQKN-UHFFFAOYSA-N 1 2 354.498 2.719 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccc(CO)o1 ZINC000512213938 516200126 /nfs/dbraw/zinc/20/01/26/516200126.db2.gz QMXSRWJMPQKOPM-UHFFFAOYSA-N 1 2 357.410 2.870 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccc(CO)o1 ZINC000512213938 516200131 /nfs/dbraw/zinc/20/01/31/516200131.db2.gz QMXSRWJMPQKOPM-UHFFFAOYSA-N 1 2 357.410 2.870 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000488360683 516204358 /nfs/dbraw/zinc/20/43/58/516204358.db2.gz XEYMXSBRFYGBRC-CYBMUJFWSA-N 1 2 350.401 2.679 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000488360683 516204365 /nfs/dbraw/zinc/20/43/65/516204365.db2.gz XEYMXSBRFYGBRC-CYBMUJFWSA-N 1 2 350.401 2.679 20 30 FFEDLO CC1(C)C[N@H+](CCNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CCO1 ZINC000465812559 516265350 /nfs/dbraw/zinc/26/53/50/516265350.db2.gz VOISHVXHYNITPL-MOPGFXCFSA-N 1 2 370.497 2.579 20 30 FFEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CCO1 ZINC000465812559 516265352 /nfs/dbraw/zinc/26/53/52/516265352.db2.gz VOISHVXHYNITPL-MOPGFXCFSA-N 1 2 370.497 2.579 20 30 FFEDLO COc1cc(C[NH+]2CCN(CC#Cc3ccccc3)CC2)cc(OC)c1 ZINC000483989126 516271954 /nfs/dbraw/zinc/27/19/54/516271954.db2.gz WLZPMCSCVNROGM-UHFFFAOYSA-N 1 2 350.462 2.873 20 30 FFEDLO COc1cc(CN2CC[NH+](CC#Cc3ccccc3)CC2)cc(OC)c1 ZINC000483989126 516271957 /nfs/dbraw/zinc/27/19/57/516271957.db2.gz WLZPMCSCVNROGM-UHFFFAOYSA-N 1 2 350.462 2.873 20 30 FFEDLO C=CC[C@@H](CC)NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000497264459 516303930 /nfs/dbraw/zinc/30/39/30/516303930.db2.gz XIWCYTVTSFNOBP-GOSISDBHSA-N 1 2 361.486 2.552 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@](O)(C(F)(F)F)CC3)o2)c1 ZINC000512561571 516305119 /nfs/dbraw/zinc/30/51/19/516305119.db2.gz LLTWMWUOOSXVKC-MRXNPFEDSA-N 1 2 366.343 2.888 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@](O)(C(F)(F)F)CC3)o2)c1 ZINC000512561571 516305123 /nfs/dbraw/zinc/30/51/23/516305123.db2.gz LLTWMWUOOSXVKC-MRXNPFEDSA-N 1 2 366.343 2.888 20 30 FFEDLO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1ccc(C#N)cc1F ZINC000512665890 516319175 /nfs/dbraw/zinc/31/91/75/516319175.db2.gz HVIQCSXJKIYALR-ZDUSSCGKSA-N 1 2 361.442 2.798 20 30 FFEDLO C=C(CNC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000512678745 516320891 /nfs/dbraw/zinc/32/08/91/516320891.db2.gz SZKNGZDZEZNOFF-NRFANRHFSA-N 1 2 373.497 2.805 20 30 FFEDLO N#CC1(NC(=O)C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)CCCCC1 ZINC000554276507 516356888 /nfs/dbraw/zinc/35/68/88/516356888.db2.gz TXURMHZEWIONST-DLBZAZTESA-N 1 2 373.522 2.830 20 30 FFEDLO N#CC1(NC(=O)C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)CCCCC1 ZINC000554276507 516356895 /nfs/dbraw/zinc/35/68/95/516356895.db2.gz TXURMHZEWIONST-DLBZAZTESA-N 1 2 373.522 2.830 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+]([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528340208 516360619 /nfs/dbraw/zinc/36/06/19/516360619.db2.gz QREOZFLQDIYFKO-FQEVSTJZSA-N 1 2 370.472 2.753 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN([C@@H]3CCN(C4CCCCC4)C3=O)CC2)cc1 ZINC000528352751 516372521 /nfs/dbraw/zinc/37/25/21/516372521.db2.gz WGRFTWFPDPDXJO-OAQYLSRUSA-N 1 2 366.509 2.609 20 30 FFEDLO N#Cc1ccc(CN2CC[NH+]([C@@H]3CCN(C4CCCCC4)C3=O)CC2)cc1 ZINC000528352751 516372526 /nfs/dbraw/zinc/37/25/26/516372526.db2.gz WGRFTWFPDPDXJO-OAQYLSRUSA-N 1 2 366.509 2.609 20 30 FFEDLO Cc1cc[nH+]cc1N1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000535532874 516387210 /nfs/dbraw/zinc/38/72/10/516387210.db2.gz LWIIUWJHPPXEPL-UHFFFAOYSA-N 1 2 360.421 2.634 20 30 FFEDLO COc1ccc(OC)c(C[NH+]2CCN(c3snc(C)c3C#N)CC2)c1 ZINC000550737417 516401662 /nfs/dbraw/zinc/40/16/62/516401662.db2.gz LBKXGLBKELOUGV-UHFFFAOYSA-N 1 2 358.467 2.663 20 30 FFEDLO Cc1noc(CN2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000531416051 516456018 /nfs/dbraw/zinc/45/60/18/516456018.db2.gz GPKHJXBUEBLMEJ-UHFFFAOYSA-N 1 2 364.371 2.566 20 30 FFEDLO CN(C(=O)C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1)C1(C#N)CCCCC1 ZINC000523440504 516473165 /nfs/dbraw/zinc/47/31/65/516473165.db2.gz MUUPVULGCHCTRJ-CQSZACIVSA-N 1 2 361.408 2.715 20 30 FFEDLO CN(C(=O)C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1)C1(C#N)CCCCC1 ZINC000523440504 516473170 /nfs/dbraw/zinc/47/31/70/516473170.db2.gz MUUPVULGCHCTRJ-CQSZACIVSA-N 1 2 361.408 2.715 20 30 FFEDLO N#Cc1c(F)cccc1Nc1ccc(N2CCN(C(=O)C3CC3)CC2)[nH+]c1 ZINC000523462490 516477053 /nfs/dbraw/zinc/47/70/53/516477053.db2.gz YAZARVHMPYUFOS-UHFFFAOYSA-N 1 2 365.412 2.895 20 30 FFEDLO Cc1[nH+]cn(-c2ccc(NC(=O)C(=O)Nc3sccc3C#N)cc2)c1C ZINC000550920596 516480620 /nfs/dbraw/zinc/48/06/20/516480620.db2.gz HTVKENRCKGOAEA-UHFFFAOYSA-N 1 2 365.418 3.000 20 30 FFEDLO C=CC[C@H](CO)CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000540414759 516545623 /nfs/dbraw/zinc/54/56/23/516545623.db2.gz SCGFNSFOSRUTGD-PKOBYXMFSA-N 1 2 356.470 2.725 20 30 FFEDLO C=CCNC(=O)c1ccc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)nc1 ZINC000523756961 516569552 /nfs/dbraw/zinc/56/95/52/516569552.db2.gz RHWVINCXOBBZHG-MRXNPFEDSA-N 1 2 360.408 2.990 20 30 FFEDLO N#C[C@@]1(NC(=O)Cn2c3ccccc3[nH+]c2C2CCCCC2)CCOC1 ZINC000547812789 516576863 /nfs/dbraw/zinc/57/68/63/516576863.db2.gz IOBIGPHLQPWSJH-FQEVSTJZSA-N 1 2 352.438 2.883 20 30 FFEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC=C(c4ccccc4)C3)C2=O)cc1 ZINC000551245113 516622774 /nfs/dbraw/zinc/62/27/74/516622774.db2.gz UFQZIHUWKMDZNG-HXUWFJFHSA-N 1 2 357.413 2.979 20 30 FFEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC=C(c4ccccc4)C3)C2=O)cc1 ZINC000551245113 516622782 /nfs/dbraw/zinc/62/27/82/516622782.db2.gz UFQZIHUWKMDZNG-HXUWFJFHSA-N 1 2 357.413 2.979 20 30 FFEDLO C=CCN(CC(F)(F)F)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000518358426 516627187 /nfs/dbraw/zinc/62/71/87/516627187.db2.gz NIIISKRJIDNFEU-CQSZACIVSA-N 1 2 373.394 2.913 20 30 FFEDLO N#Cc1ccc(CSCC(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000524107801 516646142 /nfs/dbraw/zinc/64/61/42/516646142.db2.gz ZGIJDZRHQORPSJ-UHFFFAOYSA-N 1 2 368.384 2.867 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)NCC(C)(C)CCC#N)CC2 ZINC000561653973 516700625 /nfs/dbraw/zinc/70/06/25/516700625.db2.gz YCZSQAICMHOGMZ-UHFFFAOYSA-N 1 2 359.470 2.508 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)NCC(C)(C)CCC#N)CC2 ZINC000561653973 516700633 /nfs/dbraw/zinc/70/06/33/516700633.db2.gz YCZSQAICMHOGMZ-UHFFFAOYSA-N 1 2 359.470 2.508 20 30 FFEDLO N#CCC[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cn1)c1ccccc1 ZINC000555071941 516768467 /nfs/dbraw/zinc/76/84/67/516768467.db2.gz AEKAKPBPPKLFAQ-IBGZPJMESA-N 1 2 364.449 2.689 20 30 FFEDLO N#Cc1ccc(SCC(=O)NCC2CC[NH+](CC(F)F)CC2)cc1 ZINC000561971617 516854809 /nfs/dbraw/zinc/85/48/09/516854809.db2.gz OJLIDSJXNDIVAD-UHFFFAOYSA-N 1 2 353.438 2.744 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cnccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000514088084 516856041 /nfs/dbraw/zinc/85/60/41/516856041.db2.gz JWPKULWWMOPICB-SJORKVTESA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)c2cnccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000514088084 516856051 /nfs/dbraw/zinc/85/60/51/516856051.db2.gz JWPKULWWMOPICB-SJORKVTESA-N 1 2 358.804 2.921 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)CCC(C)(C)C#N)CC2)s1 ZINC000562001568 516871777 /nfs/dbraw/zinc/87/17/77/516871777.db2.gz NZYKFRHUWGIWKH-UHFFFAOYSA-N 1 2 369.556 2.698 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000536683040 516892590 /nfs/dbraw/zinc/89/25/90/516892590.db2.gz AGAJGWBYNARMFR-UHFFFAOYSA-N 1 2 358.463 2.610 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000536683040 516892596 /nfs/dbraw/zinc/89/25/96/516892596.db2.gz AGAJGWBYNARMFR-UHFFFAOYSA-N 1 2 358.463 2.610 20 30 FFEDLO CC1CC(C#N)(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C1 ZINC000532326392 516914483 /nfs/dbraw/zinc/91/44/83/516914483.db2.gz CXRAQVIBNPXWST-UHFFFAOYSA-N 1 2 361.873 2.803 20 30 FFEDLO COc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1ccc(C#N)cc1F ZINC000548368583 516940412 /nfs/dbraw/zinc/94/04/12/516940412.db2.gz AODMXCZCQPOGKJ-UHFFFAOYSA-N 1 2 363.414 2.568 20 30 FFEDLO CCc1ccc(-c2noc(C[NH+]3CCN(c4cccc(C#N)n4)CC3)n2)cc1 ZINC000544879880 516973382 /nfs/dbraw/zinc/97/33/82/516973382.db2.gz YDVDGPNQLXQIMX-UHFFFAOYSA-N 1 2 374.448 2.888 20 30 FFEDLO N#CCc1ccc(CS(=O)(=O)Nc2c[nH+]ccc2N2CCCC2)cc1 ZINC000519400686 516986413 /nfs/dbraw/zinc/98/64/13/516986413.db2.gz MEIAHJLTIJEZPZ-UHFFFAOYSA-N 1 2 356.451 2.690 20 30 FFEDLO COc1ccccc1O[C@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000552030177 517038511 /nfs/dbraw/zinc/03/85/11/517038511.db2.gz BZBCNMCQLWWNAB-KRWDZBQOSA-N 1 2 371.481 2.881 20 30 FFEDLO COc1ccccc1O[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000552030177 517038517 /nfs/dbraw/zinc/03/85/17/517038517.db2.gz BZBCNMCQLWWNAB-KRWDZBQOSA-N 1 2 371.481 2.881 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1C#N ZINC000562387630 517072653 /nfs/dbraw/zinc/07/26/53/517072653.db2.gz XDVNVRXJDLBERM-QEEYODRMSA-N 1 2 358.438 2.503 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1C#N ZINC000562387630 517072660 /nfs/dbraw/zinc/07/26/60/517072660.db2.gz XDVNVRXJDLBERM-QEEYODRMSA-N 1 2 358.438 2.503 20 30 FFEDLO C=CC[N@@H+](CC(=O)NCCc1ccccc1OC)Cc1cccc(C#N)c1 ZINC000519872783 517231915 /nfs/dbraw/zinc/23/19/15/517231915.db2.gz NHVGBDHCINNRRM-UHFFFAOYSA-N 1 2 363.461 2.914 20 30 FFEDLO C=CC[N@H+](CC(=O)NCCc1ccccc1OC)Cc1cccc(C#N)c1 ZINC000519872783 517231925 /nfs/dbraw/zinc/23/19/25/517231925.db2.gz NHVGBDHCINNRRM-UHFFFAOYSA-N 1 2 363.461 2.914 20 30 FFEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)[nH]1 ZINC000537562567 517232366 /nfs/dbraw/zinc/23/23/66/517232366.db2.gz YSHQYEKHEJIBCJ-RHELOZEPSA-N 1 2 372.517 2.612 20 30 FFEDLO Cc1nnc([C@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)[nH]1 ZINC000537562567 517232374 /nfs/dbraw/zinc/23/23/74/517232374.db2.gz YSHQYEKHEJIBCJ-RHELOZEPSA-N 1 2 372.517 2.612 20 30 FFEDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n1 ZINC000537562567 517232382 /nfs/dbraw/zinc/23/23/82/517232382.db2.gz YSHQYEKHEJIBCJ-RHELOZEPSA-N 1 2 372.517 2.612 20 30 FFEDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n1 ZINC000537562567 517232391 /nfs/dbraw/zinc/23/23/91/517232391.db2.gz YSHQYEKHEJIBCJ-RHELOZEPSA-N 1 2 372.517 2.612 20 30 FFEDLO Cc1nc([C@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n[nH]1 ZINC000537562567 517232400 /nfs/dbraw/zinc/23/24/00/517232400.db2.gz YSHQYEKHEJIBCJ-RHELOZEPSA-N 1 2 372.517 2.612 20 30 FFEDLO Cc1nc([C@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n[nH]1 ZINC000537562567 517232406 /nfs/dbraw/zinc/23/24/06/517232406.db2.gz YSHQYEKHEJIBCJ-RHELOZEPSA-N 1 2 372.517 2.612 20 30 FFEDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1C ZINC000545506080 517270785 /nfs/dbraw/zinc/27/07/85/517270785.db2.gz HQEOSXAYNPBCCT-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO C=CCc1cc(C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc(OC)c1O ZINC000562661803 517281506 /nfs/dbraw/zinc/28/15/06/517281506.db2.gz MKJALSCMBACSQT-LJQANCHMSA-N 1 2 365.495 2.530 20 30 FFEDLO C=CCc1cc(C[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc(OC)c1O ZINC000562661803 517281515 /nfs/dbraw/zinc/28/15/15/517281515.db2.gz MKJALSCMBACSQT-LJQANCHMSA-N 1 2 365.495 2.530 20 30 FFEDLO C=CCn1c(CCC(C)C)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000548916355 517300312 /nfs/dbraw/zinc/30/03/12/517300312.db2.gz AQGZJCKDIWRNNO-UHFFFAOYSA-N 1 2 354.502 2.770 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000562832346 517440366 /nfs/dbraw/zinc/44/03/66/517440366.db2.gz VGSRTTGDGGYKMM-SAKMYQHLSA-N 1 2 359.470 2.761 20 30 FFEDLO N#Cc1cccc(CNC(=O)CN2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000533422167 517455678 /nfs/dbraw/zinc/45/56/78/517455678.db2.gz GUKBVOCLHLNARF-BJMVGYQFSA-N 1 2 374.488 2.505 20 30 FFEDLO C[C@@H]1C[C@@H](NC(=O)NCCSCc2ccccc2C#N)c2[nH+]ccn21 ZINC000556524280 517478610 /nfs/dbraw/zinc/47/86/10/517478610.db2.gz YGCAUGLVBUAENE-CZUORRHYSA-N 1 2 355.467 2.993 20 30 FFEDLO C=C(C)Cn1c(CCCC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000549291171 517497167 /nfs/dbraw/zinc/49/71/67/517497167.db2.gz KLULFSCLJYIMHO-UHFFFAOYSA-N 1 2 355.490 2.622 20 30 FFEDLO CN(Cc1[nH+]ccn1C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000538210893 517504582 /nfs/dbraw/zinc/50/45/82/517504582.db2.gz OISDSVUFSHVVBF-UHFFFAOYSA-N 1 2 367.453 2.823 20 30 FFEDLO C=CC[N@@H+](Cc1nc(C(C)C)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520938281 517555233 /nfs/dbraw/zinc/55/52/33/517555233.db2.gz RUCNETXMGOYWDG-CQSZACIVSA-N 1 2 353.430 2.918 20 30 FFEDLO C=CC[N@H+](Cc1nc(C(C)C)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520938281 517555237 /nfs/dbraw/zinc/55/52/37/517555237.db2.gz RUCNETXMGOYWDG-CQSZACIVSA-N 1 2 353.430 2.918 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(OCc2cccc(C#N)c2)c1 ZINC000563005041 517577103 /nfs/dbraw/zinc/57/71/03/517577103.db2.gz GJOLKJTZQVJIBY-FQEVSTJZSA-N 1 2 364.449 2.756 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(OCc2cccc(C#N)c2)c1 ZINC000563005041 517577113 /nfs/dbraw/zinc/57/71/13/517577113.db2.gz GJOLKJTZQVJIBY-FQEVSTJZSA-N 1 2 364.449 2.756 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527377741 517666365 /nfs/dbraw/zinc/66/63/65/517666365.db2.gz RQVIZLSUYQQSMQ-JYJNAYRXSA-N 1 2 361.486 2.524 20 30 FFEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527377741 517666375 /nfs/dbraw/zinc/66/63/75/517666375.db2.gz RQVIZLSUYQQSMQ-JYJNAYRXSA-N 1 2 361.486 2.524 20 30 FFEDLO C=CCOc1cccc(C[N@H+]2CCc3c(cccc3S(=O)(=O)NC)C2)c1 ZINC000560267128 517666993 /nfs/dbraw/zinc/66/69/93/517666993.db2.gz OERPEKGKCSGRCN-UHFFFAOYSA-N 1 2 372.490 2.718 20 30 FFEDLO C=CCOc1cccc(C[N@@H+]2CCc3c(cccc3S(=O)(=O)NC)C2)c1 ZINC000560267128 517666997 /nfs/dbraw/zinc/66/69/97/517666997.db2.gz OERPEKGKCSGRCN-UHFFFAOYSA-N 1 2 372.490 2.718 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCOc4cc(O)ccc4C3)C2=O)cc1 ZINC000556846351 517702338 /nfs/dbraw/zinc/70/23/38/517702338.db2.gz PBIPNWWOOLHOPU-LJQANCHMSA-N 1 2 363.417 2.654 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCOc4cc(O)ccc4C3)C2=O)cc1 ZINC000556846351 517702345 /nfs/dbraw/zinc/70/23/45/517702345.db2.gz PBIPNWWOOLHOPU-LJQANCHMSA-N 1 2 363.417 2.654 20 30 FFEDLO C[C@H](c1ccc(-c2ccc(O)c(C#N)c2)cc1)N1CC[NH+](CCO)CC1 ZINC000527586241 517775240 /nfs/dbraw/zinc/77/52/40/517775240.db2.gz CQWJMAQEQLFYAD-MRXNPFEDSA-N 1 2 351.450 2.602 20 30 FFEDLO C=CCOc1ccc(CC(=O)NCC2CC[NH+](CC(F)F)CC2)cc1 ZINC000563402422 517883864 /nfs/dbraw/zinc/88/38/64/517883864.db2.gz CRKIENRZMCOVPG-UHFFFAOYSA-N 1 2 352.425 2.887 20 30 FFEDLO CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546917457 517919823 /nfs/dbraw/zinc/91/98/23/517919823.db2.gz XYIFEKKJEWZCPK-MRXNPFEDSA-N 1 2 363.465 2.665 20 30 FFEDLO Cn1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc2cc(C(F)(F)F)ccc21 ZINC000522006579 517945593 /nfs/dbraw/zinc/94/55/93/517945593.db2.gz SBUGFJZBRKKECI-MRXNPFEDSA-N 1 2 352.360 2.771 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000516965625 517947902 /nfs/dbraw/zinc/94/79/02/517947902.db2.gz FKUYJYYTNZSGIA-SFHVURJKSA-N 1 2 350.422 2.969 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000516965625 517947910 /nfs/dbraw/zinc/94/79/10/517947910.db2.gz FKUYJYYTNZSGIA-SFHVURJKSA-N 1 2 350.422 2.969 20 30 FFEDLO C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]Cc2nc(C#N)cs2)C1=O ZINC000550290861 517975741 /nfs/dbraw/zinc/97/57/41/517975741.db2.gz COPPQVXBRCYOLY-MLGOLLRUSA-N 1 2 358.442 2.996 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000522123568 517993778 /nfs/dbraw/zinc/99/37/78/517993778.db2.gz ZUMKARSLFWKCNB-KRWDZBQOSA-N 1 2 354.458 2.823 20 30 FFEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000539809705 518165500 /nfs/dbraw/zinc/16/55/00/518165500.db2.gz SNLFSKBWRXBIQT-FOIQADDNSA-N 1 2 365.481 2.963 20 30 FFEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000539809705 518165503 /nfs/dbraw/zinc/16/55/03/518165503.db2.gz SNLFSKBWRXBIQT-FOIQADDNSA-N 1 2 365.481 2.963 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)nc1 ZINC000584180252 518215680 /nfs/dbraw/zinc/21/56/80/518215680.db2.gz HHCGUYAOBSEHEW-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)nc1 ZINC000584180252 518215687 /nfs/dbraw/zinc/21/56/87/518215687.db2.gz HHCGUYAOBSEHEW-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)nc1 ZINC000566819977 518217183 /nfs/dbraw/zinc/21/71/83/518217183.db2.gz IPEWCEJKUHWFCB-QIBOZCLASA-N 1 2 367.474 2.905 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2/C=C\c2ccccc2)nc1 ZINC000566819977 518217190 /nfs/dbraw/zinc/21/71/90/518217190.db2.gz IPEWCEJKUHWFCB-QIBOZCLASA-N 1 2 367.474 2.905 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2[C@@H]3C[C@H](C(=O)OC)O[C@H]3CC[C@H]2C)c1C ZINC000572544251 518241053 /nfs/dbraw/zinc/24/10/53/518241053.db2.gz ONQRRWGHPQTQRG-VRPLWUDZSA-N 1 2 374.481 2.657 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2[C@@H]3C[C@H](C(=O)OC)O[C@H]3CC[C@H]2C)c1C ZINC000572544251 518241059 /nfs/dbraw/zinc/24/10/59/518241059.db2.gz ONQRRWGHPQTQRG-VRPLWUDZSA-N 1 2 374.481 2.657 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccn(-c4ccccc4F)n3)C2)nc1 ZINC000563949634 518243554 /nfs/dbraw/zinc/24/35/54/518243554.db2.gz KWVODRYJEIDMKN-KRWDZBQOSA-N 1 2 363.396 2.931 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccn(-c4ccccc4F)n3)C2)nc1 ZINC000563949634 518243561 /nfs/dbraw/zinc/24/35/61/518243561.db2.gz KWVODRYJEIDMKN-KRWDZBQOSA-N 1 2 363.396 2.931 20 30 FFEDLO Cc1cc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)ncc1C#N ZINC000578608739 518288721 /nfs/dbraw/zinc/28/87/21/518288721.db2.gz KSZODICWFOWYLU-SFHVURJKSA-N 1 2 361.405 2.885 20 30 FFEDLO Cc1cc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)ncc1C#N ZINC000578608739 518288729 /nfs/dbraw/zinc/28/87/29/518288729.db2.gz KSZODICWFOWYLU-SFHVURJKSA-N 1 2 361.405 2.885 20 30 FFEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000564085299 518300938 /nfs/dbraw/zinc/30/09/38/518300938.db2.gz DKYWUXTZDRKVBG-SFHVURJKSA-N 1 2 367.453 2.601 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(Cl)c(Br)cc1F ZINC000581551711 518341097 /nfs/dbraw/zinc/34/10/97/518341097.db2.gz XDASUMHUMFRFNX-ZDUSSCGKSA-N 1 2 362.630 2.815 20 30 FFEDLO C=C[C@H]1CCCCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000567091086 518345463 /nfs/dbraw/zinc/34/54/63/518345463.db2.gz IFTUCRYDUGQJKV-ZWKOTPCHSA-N 1 2 358.486 2.584 20 30 FFEDLO C=C[C@H]1CCCCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000567091086 518345469 /nfs/dbraw/zinc/34/54/69/518345469.db2.gz IFTUCRYDUGQJKV-ZWKOTPCHSA-N 1 2 358.486 2.584 20 30 FFEDLO CC(C)n1ccnc1C[N@@H+]1CCCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000564206222 518350572 /nfs/dbraw/zinc/35/05/72/518350572.db2.gz CUDOLQUDVFUJND-UHFFFAOYSA-N 1 2 364.497 2.932 20 30 FFEDLO CC(C)n1ccnc1C[N@H+]1CCCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000564206222 518350574 /nfs/dbraw/zinc/35/05/74/518350574.db2.gz CUDOLQUDVFUJND-UHFFFAOYSA-N 1 2 364.497 2.932 20 30 FFEDLO COc1cc(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000573263043 518581935 /nfs/dbraw/zinc/58/19/35/518581935.db2.gz NZFGQYMVKMTFAJ-RHSMWYFYSA-N 1 2 353.426 2.556 20 30 FFEDLO CNc1ccc(C#N)cc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000586818092 518652623 /nfs/dbraw/zinc/65/26/23/518652623.db2.gz GZBDPSALJSPECM-UHFFFAOYSA-N 1 2 350.422 2.684 20 30 FFEDLO C=CCC1(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CCOCC1 ZINC000564873102 518667852 /nfs/dbraw/zinc/66/78/52/518667852.db2.gz LAHVDXHNWHOYBV-UHFFFAOYSA-N 1 2 370.453 2.711 20 30 FFEDLO N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)o1 ZINC000587061406 518675210 /nfs/dbraw/zinc/67/52/10/518675210.db2.gz BLHBMDXREJYNFF-OAHLLOKOSA-N 1 2 362.389 2.672 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000587971361 518688636 /nfs/dbraw/zinc/68/86/36/518688636.db2.gz BXIDIUNZADYLOG-YPMHNXCESA-N 1 2 368.264 2.800 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000565052498 518762731 /nfs/dbraw/zinc/76/27/31/518762731.db2.gz ZFQSZUCXAPXHDC-NRFANRHFSA-N 1 2 362.433 2.711 20 30 FFEDLO N#CCc1ccc(CNC(=O)N2CCC[N@H+](Cc3cscn3)CC2)cc1 ZINC000576938997 518837371 /nfs/dbraw/zinc/83/73/71/518837371.db2.gz LVZJTUMUQRIOOH-UHFFFAOYSA-N 1 2 369.494 2.627 20 30 FFEDLO N#CCc1ccc(CNC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)cc1 ZINC000576938997 518837376 /nfs/dbraw/zinc/83/73/76/518837376.db2.gz LVZJTUMUQRIOOH-UHFFFAOYSA-N 1 2 369.494 2.627 20 30 FFEDLO N#Cc1cc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)ccc1OC(F)(F)F ZINC000576994262 518864368 /nfs/dbraw/zinc/86/43/68/518864368.db2.gz NISMWVVQYQONRX-JTQLQIEISA-N 1 2 350.300 2.854 20 30 FFEDLO C=CC[N@H+](Cc1nc(C#N)cs1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000571012627 518883096 /nfs/dbraw/zinc/88/30/96/518883096.db2.gz NTZGUYPXODRBJY-ZDUSSCGKSA-N 1 2 351.439 2.740 20 30 FFEDLO C=CC[N@@H+](Cc1nc(C#N)cs1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000571012627 518883102 /nfs/dbraw/zinc/88/31/02/518883102.db2.gz NTZGUYPXODRBJY-ZDUSSCGKSA-N 1 2 351.439 2.740 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000582729323 518894350 /nfs/dbraw/zinc/89/43/50/518894350.db2.gz ANKUTOSUEDUZKL-DYESRHJHSA-N 1 2 355.482 2.965 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000582729323 518894356 /nfs/dbraw/zinc/89/43/56/518894356.db2.gz ANKUTOSUEDUZKL-DYESRHJHSA-N 1 2 355.482 2.965 20 30 FFEDLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000589300446 518976014 /nfs/dbraw/zinc/97/60/14/518976014.db2.gz COECYGLATHATJX-QRWLVFNGSA-N 1 2 355.482 2.985 20 30 FFEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000589300446 518976017 /nfs/dbraw/zinc/97/60/17/518976017.db2.gz COECYGLATHATJX-QRWLVFNGSA-N 1 2 355.482 2.985 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)c2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000589462384 519009566 /nfs/dbraw/zinc/00/95/66/519009566.db2.gz VFMYQNBTCNRZET-RDJZCZTQSA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)c2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000589462384 519009567 /nfs/dbraw/zinc/00/95/67/519009567.db2.gz VFMYQNBTCNRZET-RDJZCZTQSA-N 1 2 358.804 2.921 20 30 FFEDLO N#Cc1ccc(N2CCN(C(=O)Nc3ccn4cc[nH+]c4c3)CC2)c(F)c1 ZINC000580135706 519021160 /nfs/dbraw/zinc/02/11/60/519021160.db2.gz NTDZUAPQSKMBSA-UHFFFAOYSA-N 1 2 364.384 2.699 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000580370537 519138902 /nfs/dbraw/zinc/13/89/02/519138902.db2.gz MVRPZNRGVLEOSS-IEBWSBKVSA-N 1 2 352.425 2.887 20 30 FFEDLO C=CCc1cc(C(=O)Nc2c[nH+]ccc2-n2ccnn2)cc(OC)c1OC ZINC000571563359 519159510 /nfs/dbraw/zinc/15/95/10/519159510.db2.gz CSYZOIZZVJTHHA-UHFFFAOYSA-N 1 2 365.393 2.660 20 30 FFEDLO N#Cc1ccc(N2CCN(c3cc(NC4CC4)[nH+]cn3)CC2)c(Cl)c1 ZINC000571741656 519249460 /nfs/dbraw/zinc/24/94/60/519249460.db2.gz QSDXAZYYLQRJPT-UHFFFAOYSA-N 1 2 354.845 2.903 20 30 FFEDLO N#Cc1ccc(N2CCN(c3cc(NC4CC4)nc[nH+]3)CC2)c(Cl)c1 ZINC000571741656 519249468 /nfs/dbraw/zinc/24/94/68/519249468.db2.gz QSDXAZYYLQRJPT-UHFFFAOYSA-N 1 2 354.845 2.903 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000590601249 519283388 /nfs/dbraw/zinc/28/33/88/519283388.db2.gz RWZXPKOZSDQTBJ-KRWDZBQOSA-N 1 2 372.432 2.567 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000590601249 519283392 /nfs/dbraw/zinc/28/33/92/519283392.db2.gz RWZXPKOZSDQTBJ-KRWDZBQOSA-N 1 2 372.432 2.567 20 30 FFEDLO C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)[C@H](c2ccccc2)C1 ZINC000566162392 519341782 /nfs/dbraw/zinc/34/17/82/519341782.db2.gz SGTWENBMWGKOHP-FQEVSTJZSA-N 1 2 369.490 2.571 20 30 FFEDLO C[N@H+]1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)[C@H](c2ccccc2)C1 ZINC000566162392 519341789 /nfs/dbraw/zinc/34/17/89/519341789.db2.gz SGTWENBMWGKOHP-FQEVSTJZSA-N 1 2 369.490 2.571 20 30 FFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000577961945 519346176 /nfs/dbraw/zinc/34/61/76/519346176.db2.gz HGACIAPXLJPCHK-CQSZACIVSA-N 1 2 365.437 2.810 20 30 FFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000577961945 519346183 /nfs/dbraw/zinc/34/61/83/519346183.db2.gz HGACIAPXLJPCHK-CQSZACIVSA-N 1 2 365.437 2.810 20 30 FFEDLO N#CC1(NC(=O)C[NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)CCC1 ZINC000590749654 519347916 /nfs/dbraw/zinc/34/79/16/519347916.db2.gz RWUMTLSOHDLCIZ-UHFFFAOYSA-N 1 2 372.416 2.904 20 30 FFEDLO CN(C(=O)c1cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1)c1ccccc1 ZINC000569106457 519381489 /nfs/dbraw/zinc/38/14/89/519381489.db2.gz IQUWJJCSZZEVAH-NRFANRHFSA-N 1 2 364.449 2.537 20 30 FFEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000590955781 519458262 /nfs/dbraw/zinc/45/82/62/519458262.db2.gz NZEMIROITFMDEQ-GOSISDBHSA-N 1 2 367.428 2.581 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cnccc3C(F)(F)F)CC2)cc1 ZINC000572132932 519460042 /nfs/dbraw/zinc/46/00/42/519460042.db2.gz SAHBKORGXKPFNE-UHFFFAOYSA-N 1 2 374.366 2.930 20 30 FFEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1ccccc1Br ZINC000591015727 519477781 /nfs/dbraw/zinc/47/77/81/519477781.db2.gz JKLCLIAUGULXQG-UHFFFAOYSA-N 1 2 354.248 2.640 20 30 FFEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1ccccc1Br ZINC000591015727 519477788 /nfs/dbraw/zinc/47/77/88/519477788.db2.gz JKLCLIAUGULXQG-UHFFFAOYSA-N 1 2 354.248 2.640 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000569460399 519562828 /nfs/dbraw/zinc/56/28/28/519562828.db2.gz FJULQEAZUIRXDG-JOCHJYFZSA-N 1 2 362.477 2.823 20 30 FFEDLO C[C@H]1CN(S(=O)(=O)c2cccc(CC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000591331970 519593805 /nfs/dbraw/zinc/59/38/05/519593805.db2.gz ANJKGSJMVLCTHG-KRWDZBQOSA-N 1 2 369.490 2.648 20 30 FFEDLO C[C@H]1CN(S(=O)(=O)c2cccc(CC#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000591331970 519593811 /nfs/dbraw/zinc/59/38/11/519593811.db2.gz ANJKGSJMVLCTHG-KRWDZBQOSA-N 1 2 369.490 2.648 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000584148351 519611531 /nfs/dbraw/zinc/61/15/31/519611531.db2.gz LEOZEHIENARSPP-SFHVURJKSA-N 1 2 360.845 2.888 20 30 FFEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NS(=O)(=O)CC2(C#N)CCC2)c(C)c1 ZINC000616175872 519930895 /nfs/dbraw/zinc/93/08/95/519930895.db2.gz GQXXZBMCQZIRKP-SFHVURJKSA-N 1 2 372.494 2.855 20 30 FFEDLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602975725 520000581 /nfs/dbraw/zinc/00/05/81/520000581.db2.gz GLKKTGYUXORLEO-LZQZEXGQSA-N 1 2 371.481 2.991 20 30 FFEDLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602975725 520000589 /nfs/dbraw/zinc/00/05/89/520000589.db2.gz GLKKTGYUXORLEO-LZQZEXGQSA-N 1 2 371.481 2.991 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c(OC)c1 ZINC000602978480 520002574 /nfs/dbraw/zinc/00/25/74/520002574.db2.gz RBGDKEYTJDBTHB-MNEFBYGVSA-N 1 2 371.481 2.991 20 30 FFEDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c(OC)c1 ZINC000602978480 520002583 /nfs/dbraw/zinc/00/25/83/520002583.db2.gz RBGDKEYTJDBTHB-MNEFBYGVSA-N 1 2 371.481 2.991 20 30 FFEDLO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602980310 520005259 /nfs/dbraw/zinc/00/52/59/520005259.db2.gz OLWZWVVGIRDHIL-NVXWUHKLSA-N 1 2 363.383 2.797 20 30 FFEDLO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602980310 520005269 /nfs/dbraw/zinc/00/52/69/520005269.db2.gz OLWZWVVGIRDHIL-NVXWUHKLSA-N 1 2 363.383 2.797 20 30 FFEDLO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[NH+](CCCF)CC2)o1 ZINC000600071569 520030227 /nfs/dbraw/zinc/03/02/27/520030227.db2.gz FVEKJIBNJMARQV-UHFFFAOYSA-N 1 2 371.412 2.848 20 30 FFEDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000612577272 520031887 /nfs/dbraw/zinc/03/18/87/520031887.db2.gz CIOGHRGTDYEBOW-UHFFFAOYSA-N 1 2 367.409 2.963 20 30 FFEDLO COc1cc(CN(CCC#N)CC[NH+]2CCOCC2)cc(C(F)(F)F)c1 ZINC000600104203 520050023 /nfs/dbraw/zinc/05/00/23/520050023.db2.gz CGJCCKAAMKELIF-UHFFFAOYSA-N 1 2 371.403 2.762 20 30 FFEDLO N#Cc1cc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)ccn1 ZINC000603124820 520092330 /nfs/dbraw/zinc/09/23/30/520092330.db2.gz DIKPROMRQZDOON-UHFFFAOYSA-N 1 2 350.426 2.898 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000608800616 520131225 /nfs/dbraw/zinc/13/12/25/520131225.db2.gz SNVLAPGKBITYKG-VQTJNVASSA-N 1 2 371.460 2.635 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000608800616 520131238 /nfs/dbraw/zinc/13/12/38/520131238.db2.gz SNVLAPGKBITYKG-VQTJNVASSA-N 1 2 371.460 2.635 20 30 FFEDLO CC(C)C[C@H](C#N)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000608824302 520137955 /nfs/dbraw/zinc/13/79/55/520137955.db2.gz MVOVCERNCWFCMX-QGZVFWFLSA-N 1 2 353.426 2.580 20 30 FFEDLO N#Cc1ccc(CC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cc1 ZINC000597642014 520152226 /nfs/dbraw/zinc/15/22/26/520152226.db2.gz RZFQDQGIARXXCS-UHFFFAOYSA-N 1 2 354.479 2.722 20 30 FFEDLO C=CCCSCCNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000594815513 520170635 /nfs/dbraw/zinc/17/06/35/520170635.db2.gz UNHXVHQOLFLJAI-UHFFFAOYSA-N 1 2 351.497 2.519 20 30 FFEDLO C[N@@H+]1CCc2nc(NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)sc2C1 ZINC000609112717 520194660 /nfs/dbraw/zinc/19/46/60/520194660.db2.gz LLNYSGDQVXVDBA-MRXNPFEDSA-N 1 2 367.478 2.610 20 30 FFEDLO C[N@H+]1CCc2nc(NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)sc2C1 ZINC000609112717 520194665 /nfs/dbraw/zinc/19/46/65/520194665.db2.gz LLNYSGDQVXVDBA-MRXNPFEDSA-N 1 2 367.478 2.610 20 30 FFEDLO CC(C)(C)OC(=O)C1(C)CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000592157099 520234945 /nfs/dbraw/zinc/23/49/45/520234945.db2.gz LNZCVFQYMGBGSJ-UHFFFAOYSA-N 1 2 357.454 2.941 20 30 FFEDLO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000595012341 520256694 /nfs/dbraw/zinc/25/66/94/520256694.db2.gz MYJKZUXUXIORCQ-UHFFFAOYSA-N 1 2 355.442 2.760 20 30 FFEDLO CO[C@@](C)(C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000609306541 520269284 /nfs/dbraw/zinc/26/92/84/520269284.db2.gz XLGWRXSAICQINU-JOCHJYFZSA-N 1 2 363.461 2.764 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2ccc[nH+]c2N2CCCC2)cc1 ZINC000597942622 520342427 /nfs/dbraw/zinc/34/24/27/520342427.db2.gz CLEJGJJZPMEISS-IBGZPJMESA-N 1 2 359.433 2.552 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000609539082 520350444 /nfs/dbraw/zinc/35/04/44/520350444.db2.gz ROVJJRINBCUWAW-TZIWHRDSSA-N 1 2 370.541 2.978 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(Cl)o3)CC2)cc1 ZINC000603747882 520353628 /nfs/dbraw/zinc/35/36/28/520353628.db2.gz WCHGILAYQDVKTA-UHFFFAOYSA-N 1 2 358.829 2.832 20 30 FFEDLO Cc1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)nc(C)n1 ZINC000595299061 520395012 /nfs/dbraw/zinc/39/50/12/520395012.db2.gz VYPKDFKGUCIOFN-UHFFFAOYSA-N 1 2 358.449 2.836 20 30 FFEDLO Cc1ccc(-c2nn(C)cc2C[NH+]2CCN(c3cnccc3C#N)CC2)o1 ZINC000592514757 520433812 /nfs/dbraw/zinc/43/38/12/520433812.db2.gz IMKSNTOASZDZFH-UHFFFAOYSA-N 1 2 362.437 2.577 20 30 FFEDLO N#CC1(CNC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CCCCC1 ZINC000595438924 520471877 /nfs/dbraw/zinc/47/18/77/520471877.db2.gz KHJCIOVTWVHIBI-IBGZPJMESA-N 1 2 370.497 2.833 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(-c4ccccc4)nc3)CC2)nc1 ZINC000604271959 520504584 /nfs/dbraw/zinc/50/45/84/520504584.db2.gz DIUYEKJYMOKWTK-UHFFFAOYSA-N 1 2 356.433 2.732 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCN(c3cccc(F)c3F)CC2)cc1 ZINC000595507326 520516422 /nfs/dbraw/zinc/51/64/22/520516422.db2.gz VCEYKMCDTVVWDY-UHFFFAOYSA-N 1 2 370.403 2.987 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCN(c3cccc(F)c3F)CC2)cc1 ZINC000595507326 520516429 /nfs/dbraw/zinc/51/64/29/520516429.db2.gz VCEYKMCDTVVWDY-UHFFFAOYSA-N 1 2 370.403 2.987 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2OC)CC1 ZINC000604390075 520546525 /nfs/dbraw/zinc/54/65/25/520546525.db2.gz REYVAMWCVSFJNI-INIZCTEOSA-N 1 2 363.477 2.769 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)C2(C#N)CC3(CC3)C2)[NH+]2CCOCC2)c1 ZINC000600996989 520585181 /nfs/dbraw/zinc/58/51/81/520585181.db2.gz NBGPVGIMUMRUFJ-SFHVURJKSA-N 1 2 353.466 2.569 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595609769 520589477 /nfs/dbraw/zinc/58/94/77/520589477.db2.gz OWINUBJMCCEMMN-KRWDZBQOSA-N 1 2 354.454 2.958 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595609769 520589483 /nfs/dbraw/zinc/58/94/83/520589483.db2.gz OWINUBJMCCEMMN-KRWDZBQOSA-N 1 2 354.454 2.958 20 30 FFEDLO Cc1ccc([C@@H](CNC(=O)C2(C#N)CC3(CC3)C2)[NH+]2CCOCC2)cc1 ZINC000601005125 520590069 /nfs/dbraw/zinc/59/00/69/520590069.db2.gz FFSHNRVOZOLCMC-GOSISDBHSA-N 1 2 353.466 2.569 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595615707 520595524 /nfs/dbraw/zinc/59/55/24/520595524.db2.gz RTMIXJLULBKZAT-IAGOWNOFSA-N 1 2 354.454 2.956 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595615707 520595528 /nfs/dbraw/zinc/59/55/28/520595528.db2.gz RTMIXJLULBKZAT-IAGOWNOFSA-N 1 2 354.454 2.956 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595616570 520596589 /nfs/dbraw/zinc/59/65/89/520596589.db2.gz MSIXKGABCAOIRX-GOSISDBHSA-N 1 2 371.481 2.690 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595616570 520596594 /nfs/dbraw/zinc/59/65/94/520596594.db2.gz MSIXKGABCAOIRX-GOSISDBHSA-N 1 2 371.481 2.690 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595618332 520596871 /nfs/dbraw/zinc/59/68/71/520596871.db2.gz NSARNHGIZVTJAB-HRAATJIYSA-N 1 2 371.481 2.831 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595618332 520596875 /nfs/dbraw/zinc/59/68/75/520596875.db2.gz NSARNHGIZVTJAB-HRAATJIYSA-N 1 2 371.481 2.831 20 30 FFEDLO N#CC1(NC(=O)c2ccc(NCC[NH+]3CCOCC3)c(F)c2)CCCCC1 ZINC000601027305 520603866 /nfs/dbraw/zinc/60/38/66/520603866.db2.gz YCNGDDSGDNACKG-UHFFFAOYSA-N 1 2 374.460 2.526 20 30 FFEDLO C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595631565 520607869 /nfs/dbraw/zinc/60/78/69/520607869.db2.gz DRLQLHVNJGHTOA-HWOWSKLDSA-N 1 2 360.527 2.825 20 30 FFEDLO N#Cc1sccc1N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000595632959 520608814 /nfs/dbraw/zinc/60/88/14/520608814.db2.gz RGHDEEFPBSVHFD-UHFFFAOYSA-N 1 2 358.423 2.729 20 30 FFEDLO Cc1cn2c([nH+]1)CN(C(=O)c1cnn(CCC#N)c1-c1ccccc1)CC2 ZINC000617619638 520608888 /nfs/dbraw/zinc/60/88/88/520608888.db2.gz SSYRXDIDUWABHU-UHFFFAOYSA-N 1 2 360.421 2.625 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000595660032 520628971 /nfs/dbraw/zinc/62/89/71/520628971.db2.gz QLWYKQNFNWJSET-ZDUSSCGKSA-N 1 2 369.296 2.876 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cnn(CC4CC4)c3)CC2)cc1 ZINC000610334778 520638400 /nfs/dbraw/zinc/63/84/00/520638400.db2.gz JKTPJOZSHJTKKS-UHFFFAOYSA-N 1 2 364.453 2.514 20 30 FFEDLO CC(C)c1nc2[nH]ccc2c(NC2CCN(c3ccc(C#N)cn3)CC2)[nH+]1 ZINC000601111464 520642093 /nfs/dbraw/zinc/64/20/93/520642093.db2.gz SKWRUMVWIYILGS-UHFFFAOYSA-N 1 2 361.453 2.851 20 30 FFEDLO C[C@H](NC(=O)N1CCC[N@H+](Cc2cscn2)CC1)c1cccc(C#N)c1 ZINC000610356310 520648127 /nfs/dbraw/zinc/64/81/27/520648127.db2.gz OQHFHQOKRORTHR-HNNXBMFYSA-N 1 2 369.494 2.993 20 30 FFEDLO C[C@H](NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1)c1cccc(C#N)c1 ZINC000610356310 520648135 /nfs/dbraw/zinc/64/81/35/520648135.db2.gz OQHFHQOKRORTHR-HNNXBMFYSA-N 1 2 369.494 2.993 20 30 FFEDLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)CC2(C#N)CCCCC2)C1 ZINC000598507551 520665555 /nfs/dbraw/zinc/66/55/55/520665555.db2.gz VCONJEKDIVLBMH-FQEVSTJZSA-N 1 2 368.525 2.783 20 30 FFEDLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)CC2(C#N)CCCCC2)C1 ZINC000598507551 520665559 /nfs/dbraw/zinc/66/55/59/520665559.db2.gz VCONJEKDIVLBMH-FQEVSTJZSA-N 1 2 368.525 2.783 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC000593054965 520710892 /nfs/dbraw/zinc/71/08/92/520710892.db2.gz ORGFDASCVWAKOT-UHFFFAOYSA-N 1 2 355.335 2.541 20 30 FFEDLO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000598591836 520732922 /nfs/dbraw/zinc/73/29/22/520732922.db2.gz CXKBVXXJHPTWRM-CYBMUJFWSA-N 1 2 361.467 2.553 20 30 FFEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000598598699 520734383 /nfs/dbraw/zinc/73/43/83/520734383.db2.gz IXTVWCABESHDAW-GDBMZVCRSA-N 1 2 354.397 2.962 20 30 FFEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000598598699 520734387 /nfs/dbraw/zinc/73/43/87/520734387.db2.gz IXTVWCABESHDAW-GDBMZVCRSA-N 1 2 354.397 2.962 20 30 FFEDLO CC[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1nnc2n1CCCCC2 ZINC000595801684 520734842 /nfs/dbraw/zinc/73/48/42/520734842.db2.gz DBLZWBYHIKOYHE-MRXNPFEDSA-N 1 2 372.517 2.730 20 30 FFEDLO CC[C@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)c1nnc2n1CCCCC2 ZINC000595807402 520739639 /nfs/dbraw/zinc/73/96/39/520739639.db2.gz YWTALJOSGFOMPW-CVEARBPZSA-N 1 2 372.517 2.776 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2ccccc2CC#N)c1C ZINC000601326281 520742210 /nfs/dbraw/zinc/74/22/10/520742210.db2.gz LKHFENGDIQNBIG-UHFFFAOYSA-N 1 2 359.451 2.594 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](N(C)c3ccccc3)C2)c(C#N)c1C ZINC000595826263 520749274 /nfs/dbraw/zinc/74/92/74/520749274.db2.gz LGGVGTOFACMQBJ-QGZVFWFLSA-N 1 2 352.438 2.917 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)c(C#N)c1C ZINC000595826263 520749277 /nfs/dbraw/zinc/74/92/77/520749277.db2.gz LGGVGTOFACMQBJ-QGZVFWFLSA-N 1 2 352.438 2.917 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000595827966 520751241 /nfs/dbraw/zinc/75/12/41/520751241.db2.gz GHQVHJJVWFPRBW-XJKSGUPXSA-N 1 2 358.269 2.671 20 30 FFEDLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CCc2ccc(F)cc21 ZINC000593114920 520756412 /nfs/dbraw/zinc/75/64/12/520756412.db2.gz FCOJLDBMDHHLGA-CQSZACIVSA-N 1 2 373.453 2.528 20 30 FFEDLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CCc2ccc(F)cc21 ZINC000593114920 520756419 /nfs/dbraw/zinc/75/64/19/520756419.db2.gz FCOJLDBMDHHLGA-CQSZACIVSA-N 1 2 373.453 2.528 20 30 FFEDLO COc1ccc(CNC(=O)CC[N@@H+]2Cc3cccc(C#N)c3C2)c(OC)c1 ZINC000593126934 520764741 /nfs/dbraw/zinc/76/47/41/520764741.db2.gz YLGPEVXPPIUYRP-UHFFFAOYSA-N 1 2 365.433 2.598 20 30 FFEDLO COc1ccc(CNC(=O)CC[N@H+]2Cc3cccc(C#N)c3C2)c(OC)c1 ZINC000593126934 520764747 /nfs/dbraw/zinc/76/47/47/520764747.db2.gz YLGPEVXPPIUYRP-UHFFFAOYSA-N 1 2 365.433 2.598 20 30 FFEDLO N#Cc1cccc2c1C[N@H+](CCCn1c(=O)oc3ccc([N+](=O)[O-])cc31)C2 ZINC000593127997 520765764 /nfs/dbraw/zinc/76/57/64/520765764.db2.gz ZAAVPHMXMPNKQU-UHFFFAOYSA-N 1 2 364.361 2.780 20 30 FFEDLO N#Cc1cccc2c1C[N@@H+](CCCn1c(=O)oc3ccc([N+](=O)[O-])cc31)C2 ZINC000593127997 520765773 /nfs/dbraw/zinc/76/57/73/520765773.db2.gz ZAAVPHMXMPNKQU-UHFFFAOYSA-N 1 2 364.361 2.780 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000595890455 520796997 /nfs/dbraw/zinc/79/69/97/520796997.db2.gz MLBJEOUSPVTIFG-OCCSQVGLSA-N 1 2 358.360 2.987 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000595890455 520797000 /nfs/dbraw/zinc/79/70/00/520797000.db2.gz MLBJEOUSPVTIFG-OCCSQVGLSA-N 1 2 358.360 2.987 20 30 FFEDLO C[C@@H]1CCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000610729881 520818085 /nfs/dbraw/zinc/81/80/85/520818085.db2.gz NFOCCWXXQNTEOE-AHRSYUTCSA-N 1 2 363.465 2.833 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc2cccnc2c1Br ZINC000596039625 520872222 /nfs/dbraw/zinc/87/22/22/520872222.db2.gz RQDJXJDGCRLPHK-ZDUSSCGKSA-N 1 2 364.243 2.582 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc2cccnc2c1Br ZINC000596039625 520872229 /nfs/dbraw/zinc/87/22/29/520872229.db2.gz RQDJXJDGCRLPHK-ZDUSSCGKSA-N 1 2 364.243 2.582 20 30 FFEDLO N#Cc1cc(S(=O)(=O)Nc2ccnn2-c2cc[nH+]cc2)ccc1Cl ZINC000610855252 520875659 /nfs/dbraw/zinc/87/56/59/520875659.db2.gz MVNLBJNHCFNUHY-UHFFFAOYSA-N 1 2 359.798 2.593 20 30 FFEDLO N#C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(Br)cc1 ZINC000593396191 520963770 /nfs/dbraw/zinc/96/37/70/520963770.db2.gz AEPJZSSOEXMNPA-HNNXBMFYSA-N 1 2 373.254 2.905 20 30 FFEDLO Cc1cccc2[nH+]c(CNC(=O)N3CCc4c(CC#N)cccc4C3)cn21 ZINC000598992719 520966128 /nfs/dbraw/zinc/96/61/28/520966128.db2.gz BQGJOGKWCSEJOQ-UHFFFAOYSA-N 1 2 359.433 2.977 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCO[C@H](c3ccccc3)C2)c1 ZINC000611080969 520975829 /nfs/dbraw/zinc/97/58/29/520975829.db2.gz ZLKWOHPIUKYLHJ-FQEVSTJZSA-N 1 2 370.474 2.796 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCO[C@H](c3ccccc3)C2)c1 ZINC000611080969 520975832 /nfs/dbraw/zinc/97/58/32/520975832.db2.gz ZLKWOHPIUKYLHJ-FQEVSTJZSA-N 1 2 370.474 2.796 20 30 FFEDLO C[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H]1CO ZINC000611140060 521006194 /nfs/dbraw/zinc/00/61/94/521006194.db2.gz RBUUOOKKBSSYCE-BBRMVZONSA-N 1 2 361.511 2.920 20 30 FFEDLO C[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H]1CO ZINC000611140060 521006202 /nfs/dbraw/zinc/00/62/02/521006202.db2.gz RBUUOOKKBSSYCE-BBRMVZONSA-N 1 2 361.511 2.920 20 30 FFEDLO Cc1nn(-c2cccc(C)c2)cc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000593564812 521079699 /nfs/dbraw/zinc/07/96/99/521079699.db2.gz CUHQLAQPEMPPSH-UHFFFAOYSA-N 1 2 367.497 2.537 20 30 FFEDLO CC(C)(C)n1ncc2c1nc(N1CCc3c(CC#N)cccc3C1)[nH+]c2N ZINC000599195082 521080693 /nfs/dbraw/zinc/08/06/93/521080693.db2.gz MIYYZFICUGRCHU-UHFFFAOYSA-N 1 2 361.453 2.792 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)[C@@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000593621131 521113191 /nfs/dbraw/zinc/11/31/91/521113191.db2.gz NVBWSVPJGYFZPF-PMPSAXMXSA-N 1 2 373.478 2.823 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)[C@@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000593621131 521113203 /nfs/dbraw/zinc/11/32/03/521113203.db2.gz NVBWSVPJGYFZPF-PMPSAXMXSA-N 1 2 373.478 2.823 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)Nc2cc(C#N)ccc2OC)cc1 ZINC000602086457 521133821 /nfs/dbraw/zinc/13/38/21/521133821.db2.gz RLFGRGBVPYBDEL-SFHVURJKSA-N 1 2 351.406 2.788 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)Nc2cc(C#N)ccc2OC)cc1 ZINC000602086457 521133826 /nfs/dbraw/zinc/13/38/26/521133826.db2.gz RLFGRGBVPYBDEL-SFHVURJKSA-N 1 2 351.406 2.788 20 30 FFEDLO CC(C)(C)OC(=O)C1([NH2+]C[C@@H](O)COc2ccccc2C#N)CCCC1 ZINC000599330231 521156719 /nfs/dbraw/zinc/15/67/19/521156719.db2.gz WCXOQRSDXQTIKD-MRXNPFEDSA-N 1 2 360.454 2.542 20 30 FFEDLO Cn1ncc2c1CC(C)(C)C[N@@H+]([C@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000596599305 521156938 /nfs/dbraw/zinc/15/69/38/521156938.db2.gz TUJURKOJHONRJE-HNNXBMFYSA-N 1 2 369.494 2.543 20 30 FFEDLO Cn1ncc2c1CC(C)(C)C[N@H+]([C@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000596599305 521156944 /nfs/dbraw/zinc/15/69/44/521156944.db2.gz TUJURKOJHONRJE-HNNXBMFYSA-N 1 2 369.494 2.543 20 30 FFEDLO N#CCCC[C@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000596606209 521163407 /nfs/dbraw/zinc/16/34/07/521163407.db2.gz LTAZKNVTWKIFQK-OALUTQOASA-N 1 2 356.470 2.538 20 30 FFEDLO N#Cc1c(F)cc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1F ZINC000596671279 521205058 /nfs/dbraw/zinc/20/50/58/521205058.db2.gz GSXRWDOCUYSGAU-UHFFFAOYSA-N 1 2 371.387 2.599 20 30 FFEDLO CC1CCC(NC(=O)C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 ZINC000611550451 521213628 /nfs/dbraw/zinc/21/36/28/521213628.db2.gz FOZDUTLBGVCRLZ-GQOXECLESA-N 1 2 372.488 2.703 20 30 FFEDLO CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000599426044 521216624 /nfs/dbraw/zinc/21/66/24/521216624.db2.gz VRBBKBXDAXPSDH-QGZVFWFLSA-N 1 2 358.486 2.832 20 30 FFEDLO C=CCCC1(CNC(=O)N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)CCCC1 ZINC000596684823 521218236 /nfs/dbraw/zinc/21/82/36/521218236.db2.gz ZQKURMOHKYQSSJ-LJQANCHMSA-N 1 2 362.562 2.934 20 30 FFEDLO Cc1cc(S(=O)(=O)N2CC[NH+](C[C@H](C)CCC#N)CC2)c(C)s1 ZINC000602450290 521353867 /nfs/dbraw/zinc/35/38/67/521353867.db2.gz KJSFEORTZPURBK-CYBMUJFWSA-N 1 2 355.529 2.611 20 30 FFEDLO Cc1noc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)n1 ZINC000594053950 521374239 /nfs/dbraw/zinc/37/42/39/521374239.db2.gz SKYZZRPXUWDQAK-LLVKDONJSA-N 1 2 373.482 2.897 20 30 FFEDLO Cc1noc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)n1 ZINC000594053950 521374242 /nfs/dbraw/zinc/37/42/42/521374242.db2.gz SKYZZRPXUWDQAK-LLVKDONJSA-N 1 2 373.482 2.897 20 30 FFEDLO CC(C)(C)Oc1ccc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1C#N ZINC000596927150 521386100 /nfs/dbraw/zinc/38/61/00/521386100.db2.gz DMOAKKAUBJOMGT-KRWDZBQOSA-N 1 2 372.469 2.674 20 30 FFEDLO COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676940 521392402 /nfs/dbraw/zinc/39/24/02/521392402.db2.gz WCECZGYUDIUZQY-INIZCTEOSA-N 1 2 363.461 2.997 20 30 FFEDLO COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676940 521392408 /nfs/dbraw/zinc/39/24/08/521392408.db2.gz WCECZGYUDIUZQY-INIZCTEOSA-N 1 2 363.461 2.997 20 30 FFEDLO CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599686060 521400920 /nfs/dbraw/zinc/40/09/20/521400920.db2.gz MHVJSYNJMVIZAX-UHFFFAOYSA-N 1 2 369.490 2.561 20 30 FFEDLO CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599686060 521400931 /nfs/dbraw/zinc/40/09/31/521400931.db2.gz MHVJSYNJMVIZAX-UHFFFAOYSA-N 1 2 369.490 2.561 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685750 521401562 /nfs/dbraw/zinc/40/15/62/521401562.db2.gz JPMZDGCOYXGWKH-AWEZNQCLSA-N 1 2 363.417 2.867 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685750 521401566 /nfs/dbraw/zinc/40/15/66/521401566.db2.gz JPMZDGCOYXGWKH-AWEZNQCLSA-N 1 2 363.417 2.867 20 30 FFEDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000599690311 521405127 /nfs/dbraw/zinc/40/51/27/521405127.db2.gz NOWWBCGNOIAPGZ-GOSISDBHSA-N 1 2 351.454 2.543 20 30 FFEDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000599690311 521405128 /nfs/dbraw/zinc/40/51/28/521405128.db2.gz NOWWBCGNOIAPGZ-GOSISDBHSA-N 1 2 351.454 2.543 20 30 FFEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000599738770 521439926 /nfs/dbraw/zinc/43/99/26/521439926.db2.gz ZHIYCIWMYUABRV-KRWDZBQOSA-N 1 2 366.421 2.803 20 30 FFEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000599738770 521439935 /nfs/dbraw/zinc/43/99/35/521439935.db2.gz ZHIYCIWMYUABRV-KRWDZBQOSA-N 1 2 366.421 2.803 20 30 FFEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000599738771 521440128 /nfs/dbraw/zinc/44/01/28/521440128.db2.gz ZHIYCIWMYUABRV-QGZVFWFLSA-N 1 2 366.421 2.803 20 30 FFEDLO C[N@H+]1CCOC[C@H]1CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000599738771 521440132 /nfs/dbraw/zinc/44/01/32/521440132.db2.gz ZHIYCIWMYUABRV-QGZVFWFLSA-N 1 2 366.421 2.803 20 30 FFEDLO COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CCC[C@](C)(C#N)C2)cc1OC ZINC000612161581 521512704 /nfs/dbraw/zinc/51/27/04/521512704.db2.gz CQTKHJWKANSUII-MGPUTAFESA-N 1 2 359.470 2.676 20 30 FFEDLO COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CCC[C@](C)(C#N)C2)cc1OC ZINC000612161581 521512714 /nfs/dbraw/zinc/51/27/14/521512714.db2.gz CQTKHJWKANSUII-MGPUTAFESA-N 1 2 359.470 2.676 20 30 FFEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000619716149 521834956 /nfs/dbraw/zinc/83/49/56/521834956.db2.gz VPBLSZUMOUJIEW-KRWDZBQOSA-N 1 2 357.479 2.655 20 30 FFEDLO N#Cc1ccc(CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1Cl ZINC000619757287 521856348 /nfs/dbraw/zinc/85/63/48/521856348.db2.gz OJWNYWMXAZMJEA-UHFFFAOYSA-N 1 2 371.750 2.970 20 30 FFEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784696 521872039 /nfs/dbraw/zinc/87/20/39/521872039.db2.gz KQHPPLMFJPASNR-KXBFYZLASA-N 1 2 374.916 2.970 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000626074395 521911398 /nfs/dbraw/zinc/91/13/98/521911398.db2.gz XARJLZGSSJBUAZ-SFHVURJKSA-N 1 2 366.509 2.875 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000626074395 521911405 /nfs/dbraw/zinc/91/14/05/521911405.db2.gz XARJLZGSSJBUAZ-SFHVURJKSA-N 1 2 366.509 2.875 20 30 FFEDLO C=CC[C@H]1CCN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000623401704 521994027 /nfs/dbraw/zinc/99/40/27/521994027.db2.gz LIFWDKSCBXATON-KRWDZBQOSA-N 1 2 370.497 2.697 20 30 FFEDLO C=CCCc1ccccc1NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000626555225 522277467 /nfs/dbraw/zinc/27/74/67/522277467.db2.gz PWZOMIPGZJQCHL-NRFANRHFSA-N 1 2 373.497 2.543 20 30 FFEDLO C=CCCc1ccccc1NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000626555225 522277474 /nfs/dbraw/zinc/27/74/74/522277474.db2.gz PWZOMIPGZJQCHL-NRFANRHFSA-N 1 2 373.497 2.543 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000628118827 523354321 /nfs/dbraw/zinc/35/43/21/523354321.db2.gz MDKDXWDSTQRRSD-ZDUSSCGKSA-N 1 2 359.875 2.532 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000628118827 523354326 /nfs/dbraw/zinc/35/43/26/523354326.db2.gz MDKDXWDSTQRRSD-ZDUSSCGKSA-N 1 2 359.875 2.532 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000623048105 523646563 /nfs/dbraw/zinc/64/65/63/523646563.db2.gz DDZSPVCSYSVBRL-IBGZPJMESA-N 1 2 373.541 2.934 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000623048105 523646578 /nfs/dbraw/zinc/64/65/78/523646578.db2.gz DDZSPVCSYSVBRL-IBGZPJMESA-N 1 2 373.541 2.934 20 30 FFEDLO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000328616390 527627380 /nfs/dbraw/zinc/62/73/80/527627380.db2.gz BONNKNPHGUXHAK-IEBWSBKVSA-N 1 2 365.437 2.899 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](Cc3ccccc3)C(=O)[O-])CC2)cc1 ZINC000821329945 598197236 /nfs/dbraw/zinc/19/72/36/598197236.db2.gz OZNMTPHAVSJSFI-NRFANRHFSA-N 1 2 363.461 2.808 20 30 FFEDLO Cc1c(C(=O)C=Cc2c[nH+]c3ccc(C)cn23)c(-c2nn[nH]n2)c2n1CCC2 ZINC000822279879 607367957 /nfs/dbraw/zinc/36/79/57/607367957.db2.gz FCDIGKWYFJRZRU-VOTSOKGWSA-N 1 2 373.420 2.775 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000819745454 606629415 /nfs/dbraw/zinc/62/94/15/606629415.db2.gz DLGUZHLAAOGFCS-ZWKOTPCHSA-N 1 2 366.469 2.603 20 30 FFEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000819745454 606629416 /nfs/dbraw/zinc/62/94/16/606629416.db2.gz DLGUZHLAAOGFCS-ZWKOTPCHSA-N 1 2 366.469 2.603 20 30 FFEDLO C=CC[N@@H+](CC(=O)c1cc(C)n(C)c1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819740261 606646121 /nfs/dbraw/zinc/64/61/21/606646121.db2.gz WQTMCKSCOQRIFU-UHFFFAOYSA-N 1 2 364.453 2.693 20 30 FFEDLO C=CC[N@H+](CC(=O)c1cc(C)n(C)c1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819740261 606646122 /nfs/dbraw/zinc/64/61/22/606646122.db2.gz WQTMCKSCOQRIFU-UHFFFAOYSA-N 1 2 364.453 2.693 20 30 FFEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000823915322 608355755 /nfs/dbraw/zinc/35/57/55/608355755.db2.gz UUQNVRAEBMLSDX-UHFFFAOYSA-N 1 2 360.421 2.935 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000823915322 608355756 /nfs/dbraw/zinc/35/57/56/608355756.db2.gz UUQNVRAEBMLSDX-UHFFFAOYSA-N 1 2 360.421 2.935 20 30 FFEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cncs1 ZINC000898221995 735329307 /nfs/dbraw/zinc/32/93/07/735329307.db2.gz AOUVXURGJSYMKM-CQSZACIVSA-N 1 2 355.467 2.603 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)NCc2ccccc2Cl)cc1 ZINC000078695787 728301108 /nfs/dbraw/zinc/30/11/08/728301108.db2.gz KJAOAZDQJXEHAF-LBPRGKRZSA-N 1 2 361.829 2.690 20 30 FFEDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000130502594 728718709 /nfs/dbraw/zinc/71/87/09/728718709.db2.gz XYTGOKFRDALSDW-QGZVFWFLSA-N 1 2 358.467 2.509 20 30 FFEDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000130502594 728718710 /nfs/dbraw/zinc/71/87/10/728718710.db2.gz XYTGOKFRDALSDW-QGZVFWFLSA-N 1 2 358.467 2.509 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCc2noc(-c3scnc3C)n2)cc1 ZINC000131207309 728721717 /nfs/dbraw/zinc/72/17/17/728721717.db2.gz ZOQSQQJVLSFEPU-UHFFFAOYSA-N 1 2 359.411 2.542 20 30 FFEDLO CCS(=O)(=O)Nc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1 ZINC000255229437 729634650 /nfs/dbraw/zinc/63/46/50/729634650.db2.gz DXPGWSIPVCWLTM-KHPPLWFESA-N 1 2 355.419 2.992 20 30 FFEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(CO)CC3)n2)C1 ZINC000328636227 729794601 /nfs/dbraw/zinc/79/46/01/729794601.db2.gz ACFVPPSMBFDRAJ-ZDUSSCGKSA-N 1 2 352.504 2.625 20 30 FFEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(CO)CC3)n2)C1 ZINC000328636227 729794603 /nfs/dbraw/zinc/79/46/03/729794603.db2.gz ACFVPPSMBFDRAJ-ZDUSSCGKSA-N 1 2 352.504 2.625 20 30 FFEDLO C#CCCC[NH2+][C@@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000859620963 730461114 /nfs/dbraw/zinc/46/11/14/730461114.db2.gz MFYKBTNZBUIBAP-KRWDZBQOSA-N 1 2 350.256 2.853 20 30 FFEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)s1 ZINC000867679939 731212664 /nfs/dbraw/zinc/21/26/64/731212664.db2.gz RRNDJLOHDOOWGC-UHFFFAOYSA-N 1 2 351.453 2.637 20 30 FFEDLO Cc1nc(C[NH+]2CCC(C(=O)NOc3cccc(C#N)c3)CC2)cs1 ZINC000870692725 731545430 /nfs/dbraw/zinc/54/54/30/731545430.db2.gz LZOBSSSXESMJDQ-UHFFFAOYSA-N 1 2 356.451 2.645 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880054554 732834731 /nfs/dbraw/zinc/83/47/31/732834731.db2.gz HOOIOXQEBGCDQG-RDBSUJKOSA-N 1 2 361.408 2.759 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880054554 732834734 /nfs/dbraw/zinc/83/47/34/732834734.db2.gz HOOIOXQEBGCDQG-RDBSUJKOSA-N 1 2 361.408 2.759 20 30 FFEDLO C=C[C@@H](O)C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000668539476 733136351 /nfs/dbraw/zinc/13/63/51/733136351.db2.gz XJAXBKDRZNDLED-MRXNPFEDSA-N 1 2 351.809 2.641 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@H+](C)CC(=O)NC)cc1OCC ZINC000668789838 733164471 /nfs/dbraw/zinc/16/44/71/733164471.db2.gz AUTPDTZVPAVVSH-UHFFFAOYSA-N 1 2 371.275 2.590 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@@H+](C)CC(=O)NC)cc1OCC ZINC000668789838 733164473 /nfs/dbraw/zinc/16/44/73/733164473.db2.gz AUTPDTZVPAVVSH-UHFFFAOYSA-N 1 2 371.275 2.590 20 30 FFEDLO C=CCC1(O)CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000884479574 733529465 /nfs/dbraw/zinc/52/94/65/733529465.db2.gz LYAWBILNQSDJOJ-UHFFFAOYSA-N 1 2 350.806 2.958 20 30 FFEDLO COCc1nc(CO[NH+]=C(N)c2ccc(Br)cc2)cs1 ZINC000782948630 738767019 /nfs/dbraw/zinc/76/70/19/738767019.db2.gz NAZHOMJWOTUUKC-UHFFFAOYSA-N 1 2 356.245 2.889 20 30 FFEDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735307981 734940200 /nfs/dbraw/zinc/94/02/00/734940200.db2.gz BGXSIVBZJIYJRI-HNNXBMFYSA-N 1 2 351.834 2.953 20 30 FFEDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735307981 734940204 /nfs/dbraw/zinc/94/02/04/734940204.db2.gz BGXSIVBZJIYJRI-HNNXBMFYSA-N 1 2 351.834 2.953 20 30 FFEDLO C#CCOCCNC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000784417772 738889552 /nfs/dbraw/zinc/88/95/52/738889552.db2.gz VIOPBNZZXMIGTL-DLBZAZTESA-N 1 2 367.852 2.563 20 30 FFEDLO C#CCOCCNC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000784417772 738889554 /nfs/dbraw/zinc/88/95/54/738889554.db2.gz VIOPBNZZXMIGTL-DLBZAZTESA-N 1 2 367.852 2.563 20 30 FFEDLO C[N@H+](CC(F)F)C1CCN(C(=O)C(F)(F)c2ccccc2C#N)CC1 ZINC000900871988 735710298 /nfs/dbraw/zinc/71/02/98/735710298.db2.gz RMGXLVWQHLZCDW-UHFFFAOYSA-N 1 2 357.351 2.838 20 30 FFEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)C(F)(F)c2ccccc2C#N)CC1 ZINC000900871988 735710300 /nfs/dbraw/zinc/71/03/00/735710300.db2.gz RMGXLVWQHLZCDW-UHFFFAOYSA-N 1 2 357.351 2.838 20 30 FFEDLO C#CC[N@@H+](CC(=O)Nc1ccc(I)cc1C)C1CC1 ZINC000763951347 736981249 /nfs/dbraw/zinc/98/12/49/736981249.db2.gz WFCFFGNJISMXAR-UHFFFAOYSA-N 1 2 368.218 2.636 20 30 FFEDLO C#CC[N@H+](CC(=O)Nc1ccc(I)cc1C)C1CC1 ZINC000763951347 736981253 /nfs/dbraw/zinc/98/12/53/736981253.db2.gz WFCFFGNJISMXAR-UHFFFAOYSA-N 1 2 368.218 2.636 20 30 FFEDLO C#CC[NH+](CC#C)Cc1cc(Br)cc(Br)c1N ZINC000769475471 737533364 /nfs/dbraw/zinc/53/33/64/737533364.db2.gz MURRIUHIAKMRSB-UHFFFAOYSA-N 1 2 356.061 2.862 20 30 FFEDLO C#CCOc1cccc(Cl)c1C[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000778163565 738359739 /nfs/dbraw/zinc/35/97/39/738359739.db2.gz GCRHFTTZJULMHA-UHFFFAOYSA-N 1 2 363.866 2.916 20 30 FFEDLO C=CC[N@@H+](CCc1ccco1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000778585260 738396665 /nfs/dbraw/zinc/39/66/65/738396665.db2.gz NUQKAWXURGQNNN-UHFFFAOYSA-N 1 2 355.192 2.835 20 30 FFEDLO C=CC[N@H+](CCc1ccco1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000778585260 738396666 /nfs/dbraw/zinc/39/66/66/738396666.db2.gz NUQKAWXURGQNNN-UHFFFAOYSA-N 1 2 355.192 2.835 20 30 FFEDLO C=CC[N@@H+](CCC1(C(=O)OC(C)(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000929975318 739044255 /nfs/dbraw/zinc/04/42/55/739044255.db2.gz FHWLAVMSPJIQIA-OAHLLOKOSA-N 1 2 357.516 2.564 20 30 FFEDLO C=CC[N@H+](CCC1(C(=O)OC(C)(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000929975318 739044258 /nfs/dbraw/zinc/04/42/58/739044258.db2.gz FHWLAVMSPJIQIA-OAHLLOKOSA-N 1 2 357.516 2.564 20 30 FFEDLO CC(C)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccn1 ZINC000932444641 739454394 /nfs/dbraw/zinc/45/43/94/739454394.db2.gz FZYCRBJKZNRWDF-UHFFFAOYSA-N 1 2 357.479 2.885 20 30 FFEDLO CC(C)C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccn1 ZINC000932444641 739454398 /nfs/dbraw/zinc/45/43/98/739454398.db2.gz FZYCRBJKZNRWDF-UHFFFAOYSA-N 1 2 357.479 2.885 20 30 FFEDLO CC(C)NC(=O)C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945998 739541956 /nfs/dbraw/zinc/54/19/56/739541956.db2.gz KYTJWTQXNKAGIZ-HTQZYQBOSA-N 1 2 368.268 2.614 20 30 FFEDLO COc1ccc(NC(=O)C[NH+]2CCC3(CC2)CC(=O)C=CO3)cc1Cl ZINC000933649321 739666678 /nfs/dbraw/zinc/66/66/78/739666678.db2.gz CWNRRLQRRMIDPP-UHFFFAOYSA-N 1 2 364.829 2.625 20 30 FFEDLO C[C@@H](NC(=O)C[NH+]1CCC2(CC1)CC(=O)C=CO2)c1ccccc1Cl ZINC000933656541 739667869 /nfs/dbraw/zinc/66/78/69/739667869.db2.gz KXKPTDZWMHIMBK-CQSZACIVSA-N 1 2 362.857 2.855 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C)CC1 ZINC000800744023 740546862 /nfs/dbraw/zinc/54/68/62/740546862.db2.gz UZLRJHKLNSPVBL-UHFFFAOYSA-N 1 2 355.511 2.568 20 30 FFEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000801912763 740663154 /nfs/dbraw/zinc/66/31/54/740663154.db2.gz CIGNAAAMRLFYSU-LBPRGKRZSA-N 1 2 356.253 2.680 20 30 FFEDLO C#CCCCS(=O)(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000805054983 740932426 /nfs/dbraw/zinc/93/24/26/740932426.db2.gz PJOWGRHLHCYPDV-DLBZAZTESA-N 1 2 372.893 2.947 20 30 FFEDLO C#CCCCS(=O)(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000805054983 740932432 /nfs/dbraw/zinc/93/24/32/740932432.db2.gz PJOWGRHLHCYPDV-DLBZAZTESA-N 1 2 372.893 2.947 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cc(F)cc(F)c2)CC1 ZINC000981993020 741184091 /nfs/dbraw/zinc/18/40/91/741184091.db2.gz VHMNAARRSGIJTC-MSOLQXFVSA-N 1 2 350.409 2.590 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2cc(F)cc(F)c2)CC1 ZINC000981993020 741184094 /nfs/dbraw/zinc/18/40/94/741184094.db2.gz VHMNAARRSGIJTC-MSOLQXFVSA-N 1 2 350.409 2.590 20 30 FFEDLO C#C[C@H](CCC)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000812184902 741593551 /nfs/dbraw/zinc/59/35/51/741593551.db2.gz SIKQQWZQNFYIFV-SQNIBIBYSA-N 1 2 363.889 2.813 20 30 FFEDLO C#C[C@H](CCC)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000812184902 741593552 /nfs/dbraw/zinc/59/35/52/741593552.db2.gz SIKQQWZQNFYIFV-SQNIBIBYSA-N 1 2 363.889 2.813 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001008561596 742380945 /nfs/dbraw/zinc/38/09/45/742380945.db2.gz ZOJGVUBGEBDDKG-NUJGCVRESA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001008561596 742380952 /nfs/dbraw/zinc/38/09/52/742380952.db2.gz ZOJGVUBGEBDDKG-NUJGCVRESA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001008561584 742380979 /nfs/dbraw/zinc/38/09/79/742380979.db2.gz ZKRCXVMPVSPGPP-UXLLHSPISA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC001008561584 742380983 /nfs/dbraw/zinc/38/09/83/742380983.db2.gz ZKRCXVMPVSPGPP-UXLLHSPISA-N 1 2 350.409 2.637 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001008841117 742409496 /nfs/dbraw/zinc/40/94/96/742409496.db2.gz PRKCBXWEXOYYCI-RYRKJORJSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001008841117 742409500 /nfs/dbraw/zinc/40/95/00/742409500.db2.gz PRKCBXWEXOYYCI-RYRKJORJSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001015722104 742478855 /nfs/dbraw/zinc/47/88/55/742478855.db2.gz SRFGBVQMCYCIHD-INMHGKMJSA-N 1 2 352.837 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001015722104 742478856 /nfs/dbraw/zinc/47/88/56/742478856.db2.gz SRFGBVQMCYCIHD-INMHGKMJSA-N 1 2 352.837 2.761 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC001015829355 742484556 /nfs/dbraw/zinc/48/45/56/742484556.db2.gz RXOTYEYNCZSSIP-BZSNNMDCSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC001015829355 742484557 /nfs/dbraw/zinc/48/45/57/742484557.db2.gz RXOTYEYNCZSSIP-BZSNNMDCSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001026096154 742749801 /nfs/dbraw/zinc/74/98/01/742749801.db2.gz RIOOOXRCCRVMAX-CRGVNZDVSA-N 1 2 359.297 2.723 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001026096154 742749803 /nfs/dbraw/zinc/74/98/03/742749803.db2.gz RIOOOXRCCRVMAX-CRGVNZDVSA-N 1 2 359.297 2.723 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(Cl)n1 ZINC001027889909 742778524 /nfs/dbraw/zinc/77/85/24/742778524.db2.gz ITQBFIRVBJZUCM-ZACQAIPSSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(Cl)n1 ZINC001027889909 742778527 /nfs/dbraw/zinc/77/85/27/742778527.db2.gz ITQBFIRVBJZUCM-ZACQAIPSSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2sccc2Cl)C1 ZINC001031679810 742841417 /nfs/dbraw/zinc/84/14/17/742841417.db2.gz KIEMFIFZCHHADK-HIFRSBDPSA-N 1 2 354.903 2.931 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001033836766 742898206 /nfs/dbraw/zinc/89/82/06/742898206.db2.gz JZGCPMGJTXYVHH-KSZLIROESA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001033836766 742898217 /nfs/dbraw/zinc/89/82/17/742898217.db2.gz JZGCPMGJTXYVHH-KSZLIROESA-N 1 2 363.527 2.856 20 30 FFEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)O2 ZINC001053674836 744998323 /nfs/dbraw/zinc/99/83/23/744998323.db2.gz WZNZVNWBNYEGCP-FGTMMUONSA-N 1 2 360.885 2.979 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)CO2 ZINC001053949558 745001958 /nfs/dbraw/zinc/00/19/58/745001958.db2.gz KFNPXMHISLHRBR-OKZBNKHCSA-N 1 2 360.885 2.979 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1Cc2ccccc2C[N@H+]1C/C=C\Cl ZINC001054053023 745002355 /nfs/dbraw/zinc/00/23/55/745002355.db2.gz KJNKYARIFJHXST-RLXQNMOISA-N 1 2 360.885 2.873 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1C/C=C\Cl ZINC001054053023 745002363 /nfs/dbraw/zinc/00/23/63/745002363.db2.gz KJNKYARIFJHXST-RLXQNMOISA-N 1 2 360.885 2.873 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1C/C=C\Cl ZINC001054053021 745002489 /nfs/dbraw/zinc/00/24/89/745002489.db2.gz KJNKYARIFJHXST-FDTOUBQYSA-N 1 2 360.885 2.873 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1C/C=C\Cl ZINC001054053021 745002497 /nfs/dbraw/zinc/00/24/97/745002497.db2.gz KJNKYARIFJHXST-FDTOUBQYSA-N 1 2 360.885 2.873 20 30 FFEDLO CCOC(C[N@H+](CC)CC(=O)Nc1cc(Cl)ccc1C#N)OCC ZINC000846975398 748588859 /nfs/dbraw/zinc/58/88/59/748588859.db2.gz QJBXMIKIOSGBMJ-UHFFFAOYSA-N 1 2 353.850 2.871 20 30 FFEDLO CCOC(C[N@@H+](CC)CC(=O)Nc1cc(Cl)ccc1C#N)OCC ZINC000846975398 748588862 /nfs/dbraw/zinc/58/88/62/748588862.db2.gz QJBXMIKIOSGBMJ-UHFFFAOYSA-N 1 2 353.850 2.871 20 30 FFEDLO N#CCCCC[C@H]([NH3+])c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000848623314 748972778 /nfs/dbraw/zinc/97/27/78/748972778.db2.gz DEOYEZDGMZXQOG-ZDUSSCGKSA-N 1 2 368.846 2.781 20 30 FFEDLO C#CCC[N@@H+](CCOC)Cc1cc(OC)c(OC)cc1Br ZINC000852752655 749944213 /nfs/dbraw/zinc/94/42/13/749944213.db2.gz GOYXLYYNIFRMRJ-UHFFFAOYSA-N 1 2 356.260 2.938 20 30 FFEDLO C#CCC[N@H+](CCOC)Cc1cc(OC)c(OC)cc1Br ZINC000852752655 749944218 /nfs/dbraw/zinc/94/42/18/749944218.db2.gz GOYXLYYNIFRMRJ-UHFFFAOYSA-N 1 2 356.260 2.938 20 30 FFEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1cc(F)cc(Cl)c1 ZINC000853395921 750055119 /nfs/dbraw/zinc/05/51/19/750055119.db2.gz PBMULXVKEIZLIH-UHFFFAOYSA-N 1 2 351.813 2.804 20 30 FFEDLO C=CC[N@H+](Cn1c2ccc(Br)cc2oc1=O)[C@@H](C)COC ZINC000853533176 750085745 /nfs/dbraw/zinc/08/57/45/750085745.db2.gz WXOAXBLAWGDNLA-NSHDSACASA-N 1 2 355.232 2.837 20 30 FFEDLO C=CC[N@@H+](Cn1c2ccc(Br)cc2oc1=O)[C@@H](C)COC ZINC000853533176 750085752 /nfs/dbraw/zinc/08/57/52/750085752.db2.gz WXOAXBLAWGDNLA-NSHDSACASA-N 1 2 355.232 2.837 20 30 FFEDLO Cc1nc(NC[C@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)ccc1C#N ZINC001105002159 971326787 /nfs/dbraw/zinc/32/67/87/971326787.db2.gz WHDJQGRADKJWHV-GVDBMIGSSA-N 1 2 366.469 2.731 20 30 FFEDLO Cc1nc(NC[C@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccc1C#N ZINC001105002159 971326794 /nfs/dbraw/zinc/32/67/94/971326794.db2.gz WHDJQGRADKJWHV-GVDBMIGSSA-N 1 2 366.469 2.731 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(C#N)c(SC)n3)C2)CC1 ZINC001141929643 971872050 /nfs/dbraw/zinc/87/20/50/971872050.db2.gz ZOVNGZWQYLXOQR-UHFFFAOYSA-N 1 2 372.494 2.896 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969690889 959767590 /nfs/dbraw/zinc/76/75/90/959767590.db2.gz CVRZVFVUBNUFDR-DJKXOVBDSA-N 1 2 371.456 2.615 20 30 FFEDLO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CCC(n2cc[nH+]c2)CC1 ZINC001167126544 960201538 /nfs/dbraw/zinc/20/15/38/960201538.db2.gz ZYOCXEOOLCQTMW-UHFFFAOYSA-N 1 2 352.442 2.976 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1Cc1c(Br)ccc(C(F)(F)F)c1F ZINC001210123166 960704008 /nfs/dbraw/zinc/70/40/08/960704008.db2.gz ZUAHVRBBQHDNID-MRVPVSSYSA-N 1 2 366.156 2.904 20 30 FFEDLO CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(C#N)ccc1F)C2 ZINC001275944832 1013216412 /nfs/dbraw/zinc/21/64/12/1013216412.db2.gz BMPWJSBJNFROOA-MGPUTAFESA-N 1 2 359.445 2.547 20 30 FFEDLO CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(C#N)ccc1F)C2 ZINC001275944832 1013216417 /nfs/dbraw/zinc/21/64/17/1013216417.db2.gz BMPWJSBJNFROOA-MGPUTAFESA-N 1 2 359.445 2.547 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](CN3C[C@H]4CCCCN4C3=O)CC2)c(F)c1 ZINC000872611517 1013238076 /nfs/dbraw/zinc/23/80/76/1013238076.db2.gz HVKUXDQGHVHMIF-MRXNPFEDSA-N 1 2 372.444 2.788 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2nsc3ccccc23)C1 ZINC000970447169 961334532 /nfs/dbraw/zinc/33/45/32/961334532.db2.gz NWRHYSXKZSTCSP-XCRHUMRWSA-N 1 2 371.506 2.824 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)c(C#N)c1 ZINC001276005012 1013276092 /nfs/dbraw/zinc/27/60/92/1013276092.db2.gz ICLCFJIRRMLPBB-HZPDHXFCSA-N 1 2 367.371 2.694 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)c(C#N)c1 ZINC001276005012 1013276095 /nfs/dbraw/zinc/27/60/95/1013276095.db2.gz ICLCFJIRRMLPBB-HZPDHXFCSA-N 1 2 367.371 2.694 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1C#N ZINC000134976939 961740808 /nfs/dbraw/zinc/74/08/08/961740808.db2.gz RVSDPWFUOSRUOC-UHFFFAOYSA-N 1 2 352.394 2.797 20 30 FFEDLO N#Cc1cnnc(-c2ccccc2)c1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174974751 1013344680 /nfs/dbraw/zinc/34/46/80/1013344680.db2.gz MCZISRNVGPJUDC-UHFFFAOYSA-N 1 2 358.405 2.990 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cncn2C)CCCCC1 ZINC001110177407 1013358536 /nfs/dbraw/zinc/35/85/36/1013358536.db2.gz OTWIXFPGSPKOSR-NEWSRXKRSA-N 1 2 354.498 2.615 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cncn2C)CCCCC1 ZINC001110177407 1013358548 /nfs/dbraw/zinc/35/85/48/1013358548.db2.gz OTWIXFPGSPKOSR-NEWSRXKRSA-N 1 2 354.498 2.615 20 30 FFEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(F)ccc(F)c1Cl)CC2 ZINC001276072868 1013405986 /nfs/dbraw/zinc/40/59/86/1013405986.db2.gz SXMUWKXZXBFVCO-ZDUSSCGKSA-N 1 2 352.812 2.970 20 30 FFEDLO CCn1c[nH+]c2c1CCN(CC(=O)N(CCC#N)c1cccc(C)c1C)C2 ZINC000933261921 963768354 /nfs/dbraw/zinc/76/83/54/963768354.db2.gz KMOVVGXXHUQSFE-UHFFFAOYSA-N 1 2 365.481 2.825 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C[N@H+](C)Cc2cc(F)ccc2C#N)O1 ZINC000960885906 1013506595 /nfs/dbraw/zinc/50/65/95/1013506595.db2.gz MRSNWLQYFYDSPA-MDASCCDHSA-N 1 2 359.445 2.688 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2cc(F)ccc2C#N)O1 ZINC000960885906 1013506602 /nfs/dbraw/zinc/50/66/02/1013506602.db2.gz MRSNWLQYFYDSPA-MDASCCDHSA-N 1 2 359.445 2.688 20 30 FFEDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC001211846275 965058482 /nfs/dbraw/zinc/05/84/82/965058482.db2.gz QVWRUHSAYUROHT-CYBMUJFWSA-N 1 2 363.508 2.878 20 30 FFEDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC001211846275 965058489 /nfs/dbraw/zinc/05/84/89/965058489.db2.gz QVWRUHSAYUROHT-CYBMUJFWSA-N 1 2 363.508 2.878 20 30 FFEDLO COc1cnc([C@@H]2CCC[N@@H+]2CCCOc2ccc(C#N)cc2)[nH]c1=O ZINC000934276369 966188950 /nfs/dbraw/zinc/18/89/50/966188950.db2.gz MDJCEBUAAQFVQV-INIZCTEOSA-N 1 2 354.410 2.668 20 30 FFEDLO COc1cnc([C@@H]2CCC[N@H+]2CCCOc2ccc(C#N)cc2)[nH]c1=O ZINC000934276369 966188958 /nfs/dbraw/zinc/18/89/58/966188958.db2.gz MDJCEBUAAQFVQV-INIZCTEOSA-N 1 2 354.410 2.668 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001211550156 966671793 /nfs/dbraw/zinc/67/17/93/966671793.db2.gz RTMAFUFAYSCKTD-JCGIZDLHSA-N 1 2 354.454 2.989 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC000972375551 966873208 /nfs/dbraw/zinc/87/32/08/966873208.db2.gz HUXFODBRGOVADQ-XHSDSOJGSA-N 1 2 361.486 2.596 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC000972375551 966873216 /nfs/dbraw/zinc/87/32/16/966873216.db2.gz HUXFODBRGOVADQ-XHSDSOJGSA-N 1 2 361.486 2.596 20 30 FFEDLO CC(C)NC(=O)c1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046529145 966979586 /nfs/dbraw/zinc/97/95/86/966979586.db2.gz QCRYYHAXLCGUPZ-UHFFFAOYSA-N 1 2 364.449 2.767 20 30 FFEDLO CC(C)NC(=O)c1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046529145 966979591 /nfs/dbraw/zinc/97/95/91/966979591.db2.gz QCRYYHAXLCGUPZ-UHFFFAOYSA-N 1 2 364.449 2.767 20 30 FFEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](Cc3ncc(-c4cccs4)o3)C[C@H]21 ZINC001075780765 967235790 /nfs/dbraw/zinc/23/57/90/967235790.db2.gz WHCHVFNIBWAWQV-JKSUJKDBSA-N 1 2 367.474 2.849 20 30 FFEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](Cc3ncc(-c4cccs4)o3)C[C@H]21 ZINC001075780765 967235801 /nfs/dbraw/zinc/23/58/01/967235801.db2.gz WHCHVFNIBWAWQV-JKSUJKDBSA-N 1 2 367.474 2.849 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3C[C@H]3Cc3ccccc3)C2)C1 ZINC000972479052 967248763 /nfs/dbraw/zinc/24/87/63/967248763.db2.gz PQDJUASVMIBHHI-GIWBLDEGSA-N 1 2 366.505 2.582 20 30 FFEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3C[C@H]3Cc3ccccc3)C2)C1 ZINC000972479052 967248772 /nfs/dbraw/zinc/24/87/72/967248772.db2.gz PQDJUASVMIBHHI-GIWBLDEGSA-N 1 2 366.505 2.582 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(CC)o2)C1 ZINC000972507820 967457566 /nfs/dbraw/zinc/45/75/66/967457566.db2.gz DJXHXEZDBSHBBL-AYBZRNKSSA-N 1 2 361.486 2.641 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(CC)o2)C1 ZINC000972507820 967457573 /nfs/dbraw/zinc/45/75/73/967457573.db2.gz DJXHXEZDBSHBBL-AYBZRNKSSA-N 1 2 361.486 2.641 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccnc(F)c2)[C@H]1CC ZINC001087518126 967581848 /nfs/dbraw/zinc/58/18/48/967581848.db2.gz YXUQQWAJSKEALA-QWHCGFSZSA-N 1 2 356.239 2.712 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(F)c2)[C@H]1CC ZINC001087518126 967581853 /nfs/dbraw/zinc/58/18/53/967581853.db2.gz YXUQQWAJSKEALA-QWHCGFSZSA-N 1 2 356.239 2.712 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000972526928 967611359 /nfs/dbraw/zinc/61/13/59/967611359.db2.gz MNHQQGRVYJBVCG-BXWFABGCSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000972526928 967611363 /nfs/dbraw/zinc/61/13/63/967611363.db2.gz MNHQQGRVYJBVCG-BXWFABGCSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C2CC2)no1 ZINC001029311911 967684396 /nfs/dbraw/zinc/68/43/96/967684396.db2.gz GVWXNZJMYAGKHF-HNAWSFBYSA-N 1 2 371.481 2.708 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C2CC2)no1 ZINC001029311911 967684401 /nfs/dbraw/zinc/68/44/01/967684401.db2.gz GVWXNZJMYAGKHF-HNAWSFBYSA-N 1 2 371.481 2.708 20 30 FFEDLO O=C(C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000329629759 967894573 /nfs/dbraw/zinc/89/45/73/967894573.db2.gz HRISWYAVGJVSTO-UHFFFAOYSA-N 1 2 359.474 2.615 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCCN2C(=O)CCc2ccc(C)[nH+]c2C)C1=O ZINC001271026805 967976458 /nfs/dbraw/zinc/97/64/58/967976458.db2.gz QGOGUGQFRPITKX-NRFANRHFSA-N 1 2 355.482 2.801 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087548726 968044928 /nfs/dbraw/zinc/04/49/28/968044928.db2.gz LIKFMUPOQBAMBA-RBUKOAKNSA-N 1 2 365.412 2.680 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087548726 968044938 /nfs/dbraw/zinc/04/49/38/968044938.db2.gz LIKFMUPOQBAMBA-RBUKOAKNSA-N 1 2 365.412 2.680 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ncccc2O)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001087552042 968082793 /nfs/dbraw/zinc/08/27/93/968082793.db2.gz JAWTWEQXNZUIIN-DLBZAZTESA-N 1 2 368.412 2.581 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c(C)ncn2C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087611758 968358793 /nfs/dbraw/zinc/35/87/93/968358793.db2.gz HCDVTHLLWOPEIZ-ZWKOTPCHSA-N 1 2 369.444 2.522 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2c(C)ncn2C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087611758 968358798 /nfs/dbraw/zinc/35/87/98/968358798.db2.gz HCDVTHLLWOPEIZ-ZWKOTPCHSA-N 1 2 369.444 2.522 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc(OCC3CC3)cn2)[C@H]1CC ZINC001087794132 969118725 /nfs/dbraw/zinc/11/87/25/969118725.db2.gz VIOIWBOPDFFFCR-GOEBONIOSA-N 1 2 364.877 2.601 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc(OCC3CC3)cn2)[C@H]1CC ZINC001087794132 969118731 /nfs/dbraw/zinc/11/87/31/969118731.db2.gz VIOIWBOPDFFFCR-GOEBONIOSA-N 1 2 364.877 2.601 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=C)Br)[C@@H]2CC)nc1 ZINC001087800215 969121857 /nfs/dbraw/zinc/12/18/57/969121857.db2.gz IKVQSFURBJCWCH-GOEBONIOSA-N 1 2 362.271 2.554 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=C)Br)[C@@H]2CC)nc1 ZINC001087800215 969121860 /nfs/dbraw/zinc/12/18/60/969121860.db2.gz IKVQSFURBJCWCH-GOEBONIOSA-N 1 2 362.271 2.554 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000177563581 969272259 /nfs/dbraw/zinc/27/22/59/969272259.db2.gz LLYOHUUAZUQANK-WMZOPIPTSA-N 1 2 359.470 2.708 20 30 FFEDLO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC001141814693 970695065 /nfs/dbraw/zinc/69/50/65/970695065.db2.gz NOBGCYWICNDYNP-FZMZJTMJSA-N 1 2 351.244 2.952 20 30 FFEDLO COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC001141814693 970695071 /nfs/dbraw/zinc/69/50/71/970695071.db2.gz NOBGCYWICNDYNP-FZMZJTMJSA-N 1 2 351.244 2.952 20 30 FFEDLO CN1CC2(CC1=O)CC[NH+](Cc1ccc(Br)cc1C#N)CC2 ZINC001141816608 970722573 /nfs/dbraw/zinc/72/25/73/970722573.db2.gz DGFPWBUELHGMFM-UHFFFAOYSA-N 1 2 362.271 2.765 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C5CC5)o4)CC[C@@H]3C2)CC1 ZINC001088090873 972701555 /nfs/dbraw/zinc/70/15/55/972701555.db2.gz KDRZWKBFUOWWFS-MSOLQXFVSA-N 1 2 370.497 2.974 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C5CC5)o4)CC[C@@H]3C2)CC1 ZINC001088090873 972701568 /nfs/dbraw/zinc/70/15/68/972701568.db2.gz KDRZWKBFUOWWFS-MSOLQXFVSA-N 1 2 370.497 2.974 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)c4nnc(CC)[nH]4)CC[C@@H]3C2)CC1 ZINC001088092893 972711015 /nfs/dbraw/zinc/71/10/15/972711015.db2.gz BAFSXDVCSXQQAG-JQHSSLGASA-N 1 2 371.529 2.955 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)c4nnc(CC)[nH]4)CC[C@@H]3C2)CC1 ZINC001088092893 972711030 /nfs/dbraw/zinc/71/10/30/972711030.db2.gz BAFSXDVCSXQQAG-JQHSSLGASA-N 1 2 371.529 2.955 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C(C)C)[nH]4)CC[C@@H]3C2)CC1 ZINC001088093312 972730292 /nfs/dbraw/zinc/73/02/92/972730292.db2.gz RTBVUMDAFONUPB-MSOLQXFVSA-N 1 2 371.529 2.955 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C(C)C)[nH]4)CC[C@@H]3C2)CC1 ZINC001088093312 972730298 /nfs/dbraw/zinc/73/02/98/972730298.db2.gz RTBVUMDAFONUPB-MSOLQXFVSA-N 1 2 371.529 2.955 20 30 FFEDLO Cc1cccc(C)c1CON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000303737065 974144949 /nfs/dbraw/zinc/14/49/49/974144949.db2.gz GYKQRTSZHHFWLI-UHFFFAOYSA-N 1 2 353.466 2.973 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)/C=C/c2ccsc2)cc1C#N ZINC001271743726 974289506 /nfs/dbraw/zinc/28/95/06/974289506.db2.gz UONDIJOQBNQYLQ-BBLIAXPFSA-N 1 2 366.490 2.847 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)/C=C/c2ccsc2)cc1C#N ZINC001271743726 974289517 /nfs/dbraw/zinc/28/95/17/974289517.db2.gz UONDIJOQBNQYLQ-BBLIAXPFSA-N 1 2 366.490 2.847 20 30 FFEDLO CC(C)(C)[C@H](CNc1ncc(C#N)cc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001126133658 974764688 /nfs/dbraw/zinc/76/46/88/974764688.db2.gz BSENMRZERLVCRE-IOASZLSFSA-N 1 2 370.432 2.562 20 30 FFEDLO CC(C)(C)[C@H](CNc1ncc(C#N)cc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001126133658 974764694 /nfs/dbraw/zinc/76/46/94/974764694.db2.gz BSENMRZERLVCRE-IOASZLSFSA-N 1 2 370.432 2.562 20 30 FFEDLO C#CC[C@H]1CCCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000843676195 974776891 /nfs/dbraw/zinc/77/68/91/974776891.db2.gz RQCICKVANRXJKA-KRWDZBQOSA-N 1 2 364.449 2.787 20 30 FFEDLO C=CCOCCCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000661794274 974795239 /nfs/dbraw/zinc/79/52/39/974795239.db2.gz UHSKPOLSCOHEKC-UHFFFAOYSA-N 1 2 360.502 2.922 20 30 FFEDLO C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001087423669 975008168 /nfs/dbraw/zinc/00/81/68/975008168.db2.gz MEQUAMWIXZSNHA-RTBURBONSA-N 1 2 350.466 2.638 20 30 FFEDLO C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001087423669 975008170 /nfs/dbraw/zinc/00/81/70/975008170.db2.gz MEQUAMWIXZSNHA-RTBURBONSA-N 1 2 350.466 2.638 20 30 FFEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC000961839555 1014271871 /nfs/dbraw/zinc/27/18/71/1014271871.db2.gz ZARCLWPJTFEHKG-SBUWESJJSA-N 1 2 355.457 2.926 20 30 FFEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC000961839555 1014271876 /nfs/dbraw/zinc/27/18/76/1014271876.db2.gz ZARCLWPJTFEHKG-SBUWESJJSA-N 1 2 355.457 2.926 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn3cccc(Cl)c23)[C@H]1C ZINC001088729450 975647898 /nfs/dbraw/zinc/64/78/98/975647898.db2.gz ZALLKZFSHYRPHC-RISCZKNCSA-N 1 2 353.253 2.933 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn3cccc(Cl)c23)[C@H]1C ZINC001088729450 975647901 /nfs/dbraw/zinc/64/79/01/975647901.db2.gz ZALLKZFSHYRPHC-RISCZKNCSA-N 1 2 353.253 2.933 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC000667087431 975811024 /nfs/dbraw/zinc/81/10/24/975811024.db2.gz QDKCGOKUIJDTPC-QZTJIDSGSA-N 1 2 364.449 2.977 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CCC[N@@H+](CCF)C3)cc2)nc1 ZINC000898496777 976498560 /nfs/dbraw/zinc/49/85/60/976498560.db2.gz ZAYWFCCMXHPBJP-KRWDZBQOSA-N 1 2 368.412 2.909 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CCC[N@H+](CCF)C3)cc2)nc1 ZINC000898496777 976498566 /nfs/dbraw/zinc/49/85/66/976498566.db2.gz ZAYWFCCMXHPBJP-KRWDZBQOSA-N 1 2 368.412 2.909 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)ccc1F ZINC000981603533 976644056 /nfs/dbraw/zinc/64/40/56/976644056.db2.gz IRYDGCBDJKTQNV-CTNGQTDRSA-N 1 2 371.456 2.691 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)ccc1F ZINC000981603533 976644061 /nfs/dbraw/zinc/64/40/61/976644061.db2.gz IRYDGCBDJKTQNV-CTNGQTDRSA-N 1 2 371.456 2.691 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000981657944 976689444 /nfs/dbraw/zinc/68/94/44/976689444.db2.gz QUFCQSFFXCBVNE-MJGOQNOKSA-N 1 2 359.445 2.547 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000981657944 976689449 /nfs/dbraw/zinc/68/94/49/976689449.db2.gz QUFCQSFFXCBVNE-MJGOQNOKSA-N 1 2 359.445 2.547 20 30 FFEDLO O=C(C1=COCCC1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075602948 976964923 /nfs/dbraw/zinc/96/49/23/976964923.db2.gz VQIDPRNUBMEZDC-FXAWDEMLSA-N 1 2 370.880 2.919 20 30 FFEDLO O=C(C1=COCCC1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075602948 976964932 /nfs/dbraw/zinc/96/49/32/976964932.db2.gz VQIDPRNUBMEZDC-FXAWDEMLSA-N 1 2 370.880 2.919 20 30 FFEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC001087463559 978226868 /nfs/dbraw/zinc/22/68/68/978226868.db2.gz PMWVGYPRRYWCGB-QZTJIDSGSA-N 1 2 358.392 2.583 20 30 FFEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC001087463559 978226876 /nfs/dbraw/zinc/22/68/76/978226876.db2.gz PMWVGYPRRYWCGB-QZTJIDSGSA-N 1 2 358.392 2.583 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCCCO3)[C@@H]2C1 ZINC001075675280 978329243 /nfs/dbraw/zinc/32/92/43/978329243.db2.gz QYEGLWDWAZWITN-PWIZWCRZSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCCCO3)[C@@H]2C1 ZINC001075675280 978329250 /nfs/dbraw/zinc/32/92/50/978329250.db2.gz QYEGLWDWAZWITN-PWIZWCRZSA-N 1 2 371.456 2.689 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)nc3)[C@@H]2C1 ZINC001076110995 979126710 /nfs/dbraw/zinc/12/67/10/979126710.db2.gz FIQHCSBJQKMYSW-QWHCGFSZSA-N 1 2 359.779 2.999 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)nc3)[C@@H]2C1 ZINC001076110995 979126714 /nfs/dbraw/zinc/12/67/14/979126714.db2.gz FIQHCSBJQKMYSW-QWHCGFSZSA-N 1 2 359.779 2.999 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)c4nnc(CC)o4)C[C@H]32)CC1 ZINC001076208820 979227520 /nfs/dbraw/zinc/22/75/20/979227520.db2.gz LXIWTOODMVMJRI-HYVNUMGLSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)c4nnc(CC)o4)C[C@H]32)CC1 ZINC001076208820 979227530 /nfs/dbraw/zinc/22/75/30/979227530.db2.gz LXIWTOODMVMJRI-HYVNUMGLSA-N 1 2 358.486 2.972 20 30 FFEDLO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ncoc4C(C)C)C[C@H]32)c1 ZINC001076223399 979243891 /nfs/dbraw/zinc/24/38/91/979243891.db2.gz XICCHGWTPLUAAB-QFBILLFUSA-N 1 2 364.449 2.521 20 30 FFEDLO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+](Cc4ncoc4C(C)C)C[C@H]32)c1 ZINC001076223399 979243898 /nfs/dbraw/zinc/24/38/98/979243898.db2.gz XICCHGWTPLUAAB-QFBILLFUSA-N 1 2 364.449 2.521 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(OC)c3)[C@@H]2C1 ZINC001076495366 979562830 /nfs/dbraw/zinc/56/28/30/979562830.db2.gz GEARUUYIMFMAJQ-GOEBONIOSA-N 1 2 365.271 2.750 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(OC)c3)[C@@H]2C1 ZINC001076495366 979562833 /nfs/dbraw/zinc/56/28/33/979562833.db2.gz GEARUUYIMFMAJQ-GOEBONIOSA-N 1 2 365.271 2.750 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC=CCC3)[C@H]2C)c1 ZINC001088465549 979727117 /nfs/dbraw/zinc/72/71/17/979727117.db2.gz SQZYIDSKYZKJLX-POAQFYNOSA-N 1 2 365.477 2.542 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC=CCC3)[C@H]2C)c1 ZINC001088465549 979727119 /nfs/dbraw/zinc/72/71/19/979727119.db2.gz SQZYIDSKYZKJLX-POAQFYNOSA-N 1 2 365.477 2.542 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)o1 ZINC001088506905 980215786 /nfs/dbraw/zinc/21/57/86/980215786.db2.gz RLAWXCBXUNBKJC-KDOFPFPSSA-N 1 2 355.413 2.675 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)o1 ZINC001088506905 980215789 /nfs/dbraw/zinc/21/57/89/980215789.db2.gz RLAWXCBXUNBKJC-KDOFPFPSSA-N 1 2 355.413 2.675 20 30 FFEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000668415081 980314559 /nfs/dbraw/zinc/31/45/59/980314559.db2.gz QXGKVTUPZRJSOL-GOSISDBHSA-N 1 2 358.486 2.549 20 30 FFEDLO CO[C@H]1C[C@@H]2C[N@H+](Cc3cc(C#N)cnc3Cl)Cc3cccnc3N2C1 ZINC000877691880 1014686281 /nfs/dbraw/zinc/68/62/81/1014686281.db2.gz QMSYUTJJDLJXOJ-SJORKVTESA-N 1 2 369.856 2.611 20 30 FFEDLO CO[C@H]1C[C@@H]2C[N@@H+](Cc3cc(C#N)cnc3Cl)Cc3cccnc3N2C1 ZINC000877691880 1014686289 /nfs/dbraw/zinc/68/62/89/1014686289.db2.gz QMSYUTJJDLJXOJ-SJORKVTESA-N 1 2 369.856 2.611 20 30 FFEDLO C=CCC(CC=C)C(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001059854321 980982579 /nfs/dbraw/zinc/98/25/79/980982579.db2.gz FHONMBARRCKDNA-KBAYOESNSA-N 1 2 370.497 2.636 20 30 FFEDLO C=CCC(CC=C)C(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001059854321 980982580 /nfs/dbraw/zinc/98/25/80/980982580.db2.gz FHONMBARRCKDNA-KBAYOESNSA-N 1 2 370.497 2.636 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC2(F)F)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088555263 981006591 /nfs/dbraw/zinc/00/65/91/981006591.db2.gz BKUUEEZRYCRIQJ-INWMFGNUSA-N 1 2 352.812 2.926 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC2(F)F)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088555263 981006594 /nfs/dbraw/zinc/00/65/94/981006594.db2.gz BKUUEEZRYCRIQJ-INWMFGNUSA-N 1 2 352.812 2.926 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)[C@@H]1C ZINC001088576417 981266433 /nfs/dbraw/zinc/26/64/33/981266433.db2.gz NMGBMCDMZNWQGU-YSHGAJCASA-N 1 2 360.502 2.524 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccn(C(C)C)n2)[C@@H]1C ZINC001088576417 981266435 /nfs/dbraw/zinc/26/64/35/981266435.db2.gz NMGBMCDMZNWQGU-YSHGAJCASA-N 1 2 360.502 2.524 20 30 FFEDLO C=CCCn1cc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)nn1 ZINC000907816542 981303442 /nfs/dbraw/zinc/30/34/42/981303442.db2.gz UUQHKVDDYKWFJF-OAHLLOKOSA-N 1 2 368.485 2.912 20 30 FFEDLO C=CCCn1cc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)nn1 ZINC000907816542 981303445 /nfs/dbraw/zinc/30/34/45/981303445.db2.gz UUQHKVDDYKWFJF-OAHLLOKOSA-N 1 2 368.485 2.912 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)CCC1CC1 ZINC001212059829 981482454 /nfs/dbraw/zinc/48/24/54/981482454.db2.gz BVNKBZMBCKSXKX-RTBURBONSA-N 1 2 360.885 2.697 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)CCC1CC1 ZINC001212059829 981482455 /nfs/dbraw/zinc/48/24/55/981482455.db2.gz BVNKBZMBCKSXKX-RTBURBONSA-N 1 2 360.885 2.697 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)c4cc(F)cc(Cl)c4)C3)C2)cc1C#N ZINC001272116204 981676731 /nfs/dbraw/zinc/67/67/31/981676731.db2.gz BUUYLEYMXHXYME-UHFFFAOYSA-N 1 2 372.831 2.647 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001083634705 981843091 /nfs/dbraw/zinc/84/30/91/981843091.db2.gz DEGJJMROTAXNCQ-MKXGPGLRSA-N 1 2 374.912 2.535 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001083634705 981843094 /nfs/dbraw/zinc/84/30/94/981843094.db2.gz DEGJJMROTAXNCQ-MKXGPGLRSA-N 1 2 374.912 2.535 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C/c3ccccc3C#N)CC2)cc1 ZINC000028954565 984057661 /nfs/dbraw/zinc/05/76/61/984057661.db2.gz DDJBEVUCKASMLN-MDZDMXLPSA-N 1 2 356.429 2.788 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nn1 ZINC000640882216 984083682 /nfs/dbraw/zinc/08/36/82/984083682.db2.gz QQOAWWHGQALUGG-GFCCVEGCSA-N 1 2 365.359 2.610 20 30 FFEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@]3(C)C[C@@H]3c3ccccc3)nn2)C1 ZINC001107217271 984369545 /nfs/dbraw/zinc/36/95/45/984369545.db2.gz DQGLVJFXFRSOHZ-CTNGQTDRSA-N 1 2 365.481 2.521 20 30 FFEDLO C#CCC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2csnn2)CC3)CCC1 ZINC001107433299 984534050 /nfs/dbraw/zinc/53/40/50/984534050.db2.gz YHWRSMPDZREIHH-VQIMIIECSA-N 1 2 358.511 2.593 20 30 FFEDLO C#CCC1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](Cc2csnn2)CC3)CCC1 ZINC001107433299 984534053 /nfs/dbraw/zinc/53/40/53/984534053.db2.gz YHWRSMPDZREIHH-VQIMIIECSA-N 1 2 358.511 2.593 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@@H](CCNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCC1 ZINC001060335605 984786148 /nfs/dbraw/zinc/78/61/48/984786148.db2.gz NMNCMJCASFNKMB-BRWVUGGUSA-N 1 2 370.497 2.614 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@@H](CCNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCC1 ZINC001060335605 984786156 /nfs/dbraw/zinc/78/61/56/984786156.db2.gz NMNCMJCASFNKMB-BRWVUGGUSA-N 1 2 370.497 2.614 20 30 FFEDLO COc1ccc(C)cc1CON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000060197368 984879846 /nfs/dbraw/zinc/87/98/46/984879846.db2.gz FRRRORGDEFOFTR-UHFFFAOYSA-N 1 2 369.465 2.673 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cc(F)ccc2F)C[C@H]1OC ZINC001212184677 984966803 /nfs/dbraw/zinc/96/68/03/984966803.db2.gz CWAPQXXGQLKQBY-FSPWUOQZSA-N 1 2 350.409 2.645 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cc(F)ccc2F)C[C@H]1OC ZINC001212184677 984966809 /nfs/dbraw/zinc/96/68/09/984966809.db2.gz CWAPQXXGQLKQBY-FSPWUOQZSA-N 1 2 350.409 2.645 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccn(C3CCCC3)n2)[C@@H]1C ZINC001088868177 985168024 /nfs/dbraw/zinc/16/80/24/985168024.db2.gz ONQRNHYHCJBZDO-XCLNPWKQSA-N 1 2 372.513 2.668 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccn(C3CCCC3)n2)[C@@H]1C ZINC001088868177 985168025 /nfs/dbraw/zinc/16/80/25/985168025.db2.gz ONQRNHYHCJBZDO-XCLNPWKQSA-N 1 2 372.513 2.668 20 30 FFEDLO C[N@H+](CC(F)F)C1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000765684495 985292591 /nfs/dbraw/zinc/29/25/91/985292591.db2.gz JGCGNMBBPQYOIY-UHFFFAOYSA-N 1 2 365.424 2.904 20 30 FFEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000765684495 985292600 /nfs/dbraw/zinc/29/26/00/985292600.db2.gz JGCGNMBBPQYOIY-UHFFFAOYSA-N 1 2 365.424 2.904 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)no2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088892259 985346579 /nfs/dbraw/zinc/34/65/79/985346579.db2.gz PVSAAHYSOFVREF-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)no2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088892259 985346585 /nfs/dbraw/zinc/34/65/85/985346585.db2.gz PVSAAHYSOFVREF-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2c[nH]cc2C2CC2)[C@H]1C ZINC001088949814 985589670 /nfs/dbraw/zinc/58/96/70/985589670.db2.gz GYGQQQHYMQDVNF-ABAIWWIYSA-N 1 2 352.276 2.993 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]cc2C2CC2)[C@H]1C ZINC001088949814 985589679 /nfs/dbraw/zinc/58/96/79/985589679.db2.gz GYGQQQHYMQDVNF-ABAIWWIYSA-N 1 2 352.276 2.993 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)[C@@H]2C)cn1 ZINC001088990524 985786447 /nfs/dbraw/zinc/78/64/47/985786447.db2.gz BHTGBDYQMIAVIV-YJYMSZOUSA-N 1 2 355.388 2.734 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)[C@@H]2C)cn1 ZINC001088990524 985786455 /nfs/dbraw/zinc/78/64/55/985786455.db2.gz BHTGBDYQMIAVIV-YJYMSZOUSA-N 1 2 355.388 2.734 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001089032172 986020657 /nfs/dbraw/zinc/02/06/57/986020657.db2.gz YHOTTYQFIHDJSW-DOMZBBRYSA-N 1 2 358.467 2.871 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001089032172 986020671 /nfs/dbraw/zinc/02/06/71/986020671.db2.gz YHOTTYQFIHDJSW-DOMZBBRYSA-N 1 2 358.467 2.871 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cc3n(c2)CCCC3)[C@H]1C ZINC001089090807 986303016 /nfs/dbraw/zinc/30/30/16/986303016.db2.gz FOZPYSIPAVISHX-CJNGLKHVSA-N 1 2 366.303 2.926 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cc3n(c2)CCCC3)[C@H]1C ZINC001089090807 986303019 /nfs/dbraw/zinc/30/30/19/986303019.db2.gz FOZPYSIPAVISHX-CJNGLKHVSA-N 1 2 366.303 2.926 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC001032676542 986424086 /nfs/dbraw/zinc/42/40/86/986424086.db2.gz WMMZPZHZYIQNCU-BURNTYAHSA-N 1 2 352.478 2.771 20 30 FFEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC001032676542 986424089 /nfs/dbraw/zinc/42/40/89/986424089.db2.gz WMMZPZHZYIQNCU-BURNTYAHSA-N 1 2 352.478 2.771 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@]23CCC[C@H]2[N@H+](Cc2cc(F)ccc2C#N)CC3)O1 ZINC000992250932 986570330 /nfs/dbraw/zinc/57/03/30/986570330.db2.gz PNQICXKWDJMWHA-RIYQWJRFSA-N 1 2 371.456 2.878 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](Cc2cc(F)ccc2C#N)CC3)O1 ZINC000992250932 986570341 /nfs/dbraw/zinc/57/03/41/986570341.db2.gz PNQICXKWDJMWHA-RIYQWJRFSA-N 1 2 371.456 2.878 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001066874505 1015241185 /nfs/dbraw/zinc/24/11/85/1015241185.db2.gz WWMBNWLQYXWVCZ-HFSMHLIXSA-N 1 2 370.497 2.585 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001061093713 987355276 /nfs/dbraw/zinc/35/52/76/987355276.db2.gz KUXRFTAHHVQEIU-GVDBMIGSSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001061093713 987355281 /nfs/dbraw/zinc/35/52/81/987355281.db2.gz KUXRFTAHHVQEIU-GVDBMIGSSA-N 1 2 370.497 2.567 20 30 FFEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000914248523 987397393 /nfs/dbraw/zinc/39/73/93/987397393.db2.gz SZVPTBFWTXLOEL-IFXJQAMLSA-N 1 2 372.494 2.785 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001003061518 987754304 /nfs/dbraw/zinc/75/43/04/987754304.db2.gz VGAOYWVLTQYVRE-KUHUBIRLSA-N 1 2 359.445 2.593 20 30 FFEDLO Cc1cccn2cc(CC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)[nH+]c12 ZINC000762309728 988296892 /nfs/dbraw/zinc/29/68/92/988296892.db2.gz JGYLIAYTFCEXCM-IBGZPJMESA-N 1 2 360.417 2.657 20 30 FFEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000915218211 988314753 /nfs/dbraw/zinc/31/47/53/988314753.db2.gz SSPJTTUKZDLHRS-BMFZPTHFSA-N 1 2 350.422 2.723 20 30 FFEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000915218211 988314767 /nfs/dbraw/zinc/31/47/67/988314767.db2.gz SSPJTTUKZDLHRS-BMFZPTHFSA-N 1 2 350.422 2.723 20 30 FFEDLO COc1cc(CNC(=O)N2CCC(Nc3cccc[nH+]3)CC2)ccc1C#N ZINC000922528819 988682624 /nfs/dbraw/zinc/68/26/24/988682624.db2.gz UTXYBTPMXXMOQL-UHFFFAOYSA-N 1 2 365.437 2.748 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001033086451 988758898 /nfs/dbraw/zinc/75/88/98/988758898.db2.gz IMKTYTFREWFRST-BBWFWOEESA-N 1 2 359.470 2.566 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001033086451 988758899 /nfs/dbraw/zinc/75/88/99/988758899.db2.gz IMKTYTFREWFRST-BBWFWOEESA-N 1 2 359.470 2.566 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001033087569 988768388 /nfs/dbraw/zinc/76/83/88/988768388.db2.gz WLLMMRGZKZXMEQ-CLCXKQKWSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001033087569 988768391 /nfs/dbraw/zinc/76/83/91/988768391.db2.gz WLLMMRGZKZXMEQ-CLCXKQKWSA-N 1 2 364.436 2.979 20 30 FFEDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccc(F)c1 ZINC000763232966 989247215 /nfs/dbraw/zinc/24/72/15/989247215.db2.gz JKPLCWMTLJKCAC-RBUKOAKNSA-N 1 2 350.397 2.843 20 30 FFEDLO CCN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033965419 989862464 /nfs/dbraw/zinc/86/24/64/989862464.db2.gz XEMZMASJZYDQFM-NMLBUPMWSA-N 1 2 371.456 2.688 20 30 FFEDLO CCN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033965419 989862480 /nfs/dbraw/zinc/86/24/80/989862480.db2.gz XEMZMASJZYDQFM-NMLBUPMWSA-N 1 2 371.456 2.688 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](N(CC)C(=O)[C@@H]3C[C@H]3CC)C2)c1 ZINC001033964124 989881475 /nfs/dbraw/zinc/88/14/75/989881475.db2.gz SGUFWYITCPFOHG-YZGWKJHDSA-N 1 2 367.493 2.575 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](N(CC)C(=O)[C@@H]3C[C@H]3CC)C2)c1 ZINC001033964124 989881482 /nfs/dbraw/zinc/88/14/82/989881482.db2.gz SGUFWYITCPFOHG-YZGWKJHDSA-N 1 2 367.493 2.575 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879497890 1015563302 /nfs/dbraw/zinc/56/33/02/1015563302.db2.gz JGRRSGYIANPBFP-SJLPKXTDSA-N 1 2 367.497 2.597 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879497890 1015563309 /nfs/dbraw/zinc/56/33/09/1015563309.db2.gz JGRRSGYIANPBFP-SJLPKXTDSA-N 1 2 367.497 2.597 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1n1ccnn1 ZINC001129189766 990498663 /nfs/dbraw/zinc/49/86/63/990498663.db2.gz WWQRDGNFOUSELU-IPELMVKDSA-N 1 2 371.460 2.561 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1n1ccnn1 ZINC001129189766 990498668 /nfs/dbraw/zinc/49/86/68/990498668.db2.gz WWQRDGNFOUSELU-IPELMVKDSA-N 1 2 371.460 2.561 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001005861089 990787985 /nfs/dbraw/zinc/78/79/85/990787985.db2.gz OWSARBPQIJPKAO-PIKADFDJSA-N 1 2 370.497 2.583 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001005861089 990787987 /nfs/dbraw/zinc/78/79/87/990787987.db2.gz OWSARBPQIJPKAO-PIKADFDJSA-N 1 2 370.497 2.583 20 30 FFEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCC[C@H](C#N)C3)CC2)cc1 ZINC000920544212 990872955 /nfs/dbraw/zinc/87/29/55/990872955.db2.gz CAWJIPKILNOYDO-MRXNPFEDSA-N 1 2 355.486 2.667 20 30 FFEDLO Cc1ccc(F)cc1CON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000187129570 990996155 /nfs/dbraw/zinc/99/61/55/990996155.db2.gz WGWHWWXMSREUPQ-UHFFFAOYSA-N 1 2 357.429 2.803 20 30 FFEDLO Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)C[N@H+](C[C@H](C#N)CCC#N)C2)cn1 ZINC000879607858 1015608910 /nfs/dbraw/zinc/60/89/10/1015608910.db2.gz ODZJSWGXJFMRAS-BBWFWOEESA-N 1 2 371.485 2.611 20 30 FFEDLO Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)C[N@@H+](C[C@H](C#N)CCC#N)C2)cn1 ZINC000879607858 1015608914 /nfs/dbraw/zinc/60/89/14/1015608914.db2.gz ODZJSWGXJFMRAS-BBWFWOEESA-N 1 2 371.485 2.611 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2sc(NC(=O)c3ccco3)cc2C)C1 ZINC000923589219 991289517 /nfs/dbraw/zinc/28/95/17/991289517.db2.gz OWLDZWMIFWLYLL-AWEZNQCLSA-N 1 2 371.462 2.729 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2sc(NC(=O)c3ccco3)cc2C)C1 ZINC000923589219 991289525 /nfs/dbraw/zinc/28/95/25/991289525.db2.gz OWLDZWMIFWLYLL-AWEZNQCLSA-N 1 2 371.462 2.729 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001063139683 991361349 /nfs/dbraw/zinc/36/13/49/991361349.db2.gz PQZRRVLHWODBHR-KURKYZTESA-N 1 2 370.497 2.681 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cc(C)on1 ZINC001089694140 991397591 /nfs/dbraw/zinc/39/75/91/991397591.db2.gz SYKLPDBEUXVEPQ-KURKYZTESA-N 1 2 361.486 2.681 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cc(C)on1 ZINC001089694140 991397601 /nfs/dbraw/zinc/39/76/01/991397601.db2.gz SYKLPDBEUXVEPQ-KURKYZTESA-N 1 2 361.486 2.681 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)N(CC)c1nc(C)[nH+]c(C)c1C ZINC001089766589 991523437 /nfs/dbraw/zinc/52/34/37/991523437.db2.gz VCUOUISTLPRTKB-BVGQSLNGSA-N 1 2 360.502 2.714 20 30 FFEDLO COCC[N@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)C1CCOCC1 ZINC000879709959 1015649709 /nfs/dbraw/zinc/64/97/09/1015649709.db2.gz VKLBSDHLOJSGBL-UHFFFAOYSA-N 1 2 354.454 2.680 20 30 FFEDLO COCC[N@@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)C1CCOCC1 ZINC000879709959 1015649712 /nfs/dbraw/zinc/64/97/12/1015649712.db2.gz VKLBSDHLOJSGBL-UHFFFAOYSA-N 1 2 354.454 2.680 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001212324817 991681550 /nfs/dbraw/zinc/68/15/50/991681550.db2.gz HZKHATLDNMZLPH-QZTJIDSGSA-N 1 2 359.445 2.615 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001212324817 991681554 /nfs/dbraw/zinc/68/15/54/991681554.db2.gz HZKHATLDNMZLPH-QZTJIDSGSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1OC ZINC001212344623 991812563 /nfs/dbraw/zinc/81/25/63/991812563.db2.gz FEYGKNMIYAIRJZ-WOJBJXKFSA-N 1 2 368.481 2.544 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1OC ZINC001212344623 991812572 /nfs/dbraw/zinc/81/25/72/991812572.db2.gz FEYGKNMIYAIRJZ-WOJBJXKFSA-N 1 2 368.481 2.544 20 30 FFEDLO NC(=NOCc1ccc(F)cc1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181845956 991901367 /nfs/dbraw/zinc/90/13/67/991901367.db2.gz LTWHFTHMEGTFBA-SFHVURJKSA-N 1 2 361.392 2.655 20 30 FFEDLO NC(=NOCc1ccc(F)cc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181845956 991901377 /nfs/dbraw/zinc/90/13/77/991901377.db2.gz LTWHFTHMEGTFBA-SFHVURJKSA-N 1 2 361.392 2.655 20 30 FFEDLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001485306830 991903724 /nfs/dbraw/zinc/90/37/24/991903724.db2.gz NCOKHMKZANIGTF-PNHOKKKMSA-N 1 2 366.440 2.833 20 30 FFEDLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001485306830 991903729 /nfs/dbraw/zinc/90/37/29/991903729.db2.gz NCOKHMKZANIGTF-PNHOKKKMSA-N 1 2 366.440 2.833 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1c(Cl)cccc1OC ZINC001485351340 991915170 /nfs/dbraw/zinc/91/51/70/991915170.db2.gz DWQRJFWDVNXSRW-CPUCHLNUSA-N 1 2 366.889 2.876 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1c(Cl)cccc1OC ZINC001485351340 991915177 /nfs/dbraw/zinc/91/51/77/991915177.db2.gz DWQRJFWDVNXSRW-CPUCHLNUSA-N 1 2 366.889 2.876 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C1CCOCC1 ZINC001079346613 992031072 /nfs/dbraw/zinc/03/10/72/992031072.db2.gz JTFAGPRWBRVTQV-DNVCBOLYSA-N 1 2 360.885 2.555 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C1CCOCC1 ZINC001079346613 992031083 /nfs/dbraw/zinc/03/10/83/992031083.db2.gz JTFAGPRWBRVTQV-DNVCBOLYSA-N 1 2 360.885 2.555 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)Cc1ccsc1 ZINC001079381697 992053147 /nfs/dbraw/zinc/05/31/47/992053147.db2.gz RZUVJXAKWPQWAI-FZKQIMNGSA-N 1 2 357.454 2.938 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)Cc1ccsc1 ZINC001079381697 992053156 /nfs/dbraw/zinc/05/31/56/992053156.db2.gz RZUVJXAKWPQWAI-FZKQIMNGSA-N 1 2 357.454 2.938 20 30 FFEDLO Cc1ncsc1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001079450420 992100882 /nfs/dbraw/zinc/10/08/82/992100882.db2.gz IDJPTQIFTGNIJI-BDJLRTHQSA-N 1 2 358.442 2.713 20 30 FFEDLO Cc1ncsc1C(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001079450420 992100885 /nfs/dbraw/zinc/10/08/85/992100885.db2.gz IDJPTQIFTGNIJI-BDJLRTHQSA-N 1 2 358.442 2.713 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001079732029 992372122 /nfs/dbraw/zinc/37/21/22/992372122.db2.gz UJZSZPVEKNHXNK-YMILTQATSA-N 1 2 353.304 2.934 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001079732029 992372130 /nfs/dbraw/zinc/37/21/30/992372130.db2.gz UJZSZPVEKNHXNK-YMILTQATSA-N 1 2 353.304 2.934 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001079850548 992533547 /nfs/dbraw/zinc/53/35/47/992533547.db2.gz NQLUFWHJJVUBDD-GDBMZVCRSA-N 1 2 358.873 2.973 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001079850548 992533557 /nfs/dbraw/zinc/53/35/57/992533557.db2.gz NQLUFWHJJVUBDD-GDBMZVCRSA-N 1 2 358.873 2.973 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001079850810 992534110 /nfs/dbraw/zinc/53/41/10/992534110.db2.gz RUJKABQJLRTKSP-DNVCBOLYSA-N 1 2 366.440 2.935 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001079850810 992534119 /nfs/dbraw/zinc/53/41/19/992534119.db2.gz RUJKABQJLRTKSP-DNVCBOLYSA-N 1 2 366.440 2.935 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ncsc2C(F)(F)F)C1 ZINC001080123260 992758501 /nfs/dbraw/zinc/75/85/01/992758501.db2.gz PEOCDZNYVPTWDV-VXNVDRBHSA-N 1 2 353.797 2.965 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ncsc2C(F)(F)F)C1 ZINC001080123260 992758506 /nfs/dbraw/zinc/75/85/06/992758506.db2.gz PEOCDZNYVPTWDV-VXNVDRBHSA-N 1 2 353.797 2.965 20 30 FFEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)CC[C@@H](C(F)(F)F)O1 ZINC000880055663 1015744512 /nfs/dbraw/zinc/74/45/12/1015744512.db2.gz CRQVPSPTCTVYBF-HOCLYGCPSA-N 1 2 369.387 2.975 20 30 FFEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC[C@@H](C(F)(F)F)O1 ZINC000880055663 1015744517 /nfs/dbraw/zinc/74/45/17/1015744517.db2.gz CRQVPSPTCTVYBF-HOCLYGCPSA-N 1 2 369.387 2.975 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cc4n(n3)CCCC4)C[C@H]2C)CC1 ZINC001080392631 993008569 /nfs/dbraw/zinc/00/85/69/993008569.db2.gz OLJXAHBXUMUQIZ-OXQOHEQNSA-N 1 2 356.514 2.902 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc4n(n3)CCCC4)C[C@H]2C)CC1 ZINC001080392631 993008575 /nfs/dbraw/zinc/00/85/75/993008575.db2.gz OLJXAHBXUMUQIZ-OXQOHEQNSA-N 1 2 356.514 2.902 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nccc3[nH]ccc32)C1 ZINC001080469525 993075128 /nfs/dbraw/zinc/07/51/28/993075128.db2.gz NAEKRKCDDKUWTF-QMTHXVAHSA-N 1 2 363.259 2.522 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nccc3[nH]ccc32)C1 ZINC001080469525 993075134 /nfs/dbraw/zinc/07/51/34/993075134.db2.gz NAEKRKCDDKUWTF-QMTHXVAHSA-N 1 2 363.259 2.522 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]2C)cc1 ZINC001080575104 993181441 /nfs/dbraw/zinc/18/14/41/993181441.db2.gz FFEMDYCLHOHVLR-AUUYWEPGSA-N 1 2 369.490 2.714 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3csc(C)n3)C[C@H]2C)cc1 ZINC001080575104 993181444 /nfs/dbraw/zinc/18/14/44/993181444.db2.gz FFEMDYCLHOHVLR-AUUYWEPGSA-N 1 2 369.490 2.714 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1csc(Cl)n1 ZINC001080729434 993311610 /nfs/dbraw/zinc/31/16/10/993311610.db2.gz CSQSGQLNYJIFFM-BXUZGUMPSA-N 1 2 360.870 2.918 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1csc(Cl)n1 ZINC001080729434 993311616 /nfs/dbraw/zinc/31/16/16/993311616.db2.gz CSQSGQLNYJIFFM-BXUZGUMPSA-N 1 2 360.870 2.918 20 30 FFEDLO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@@H+](Cc3cscn3)C[C@H]2C)cc1 ZINC001081007816 993530979 /nfs/dbraw/zinc/53/09/79/993530979.db2.gz JGTGWCSPKPWJFG-DNVCBOLYSA-N 1 2 371.506 2.887 20 30 FFEDLO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+](Cc3cscn3)C[C@H]2C)cc1 ZINC001081007816 993530987 /nfs/dbraw/zinc/53/09/87/993530987.db2.gz JGTGWCSPKPWJFG-DNVCBOLYSA-N 1 2 371.506 2.887 20 30 FFEDLO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]2C)cc1 ZINC001081011421 993534049 /nfs/dbraw/zinc/53/40/49/993534049.db2.gz YYQPXAGXMPCCAP-FOIQADDNSA-N 1 2 369.465 2.727 20 30 FFEDLO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+](Cc3cc(C)on3)C[C@H]2C)cc1 ZINC001081011421 993534052 /nfs/dbraw/zinc/53/40/52/993534052.db2.gz YYQPXAGXMPCCAP-FOIQADDNSA-N 1 2 369.465 2.727 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@]1(C)CC=CCC1 ZINC001081731306 993941559 /nfs/dbraw/zinc/94/15/59/993941559.db2.gz WLOPBTKJZYFTGY-KCZVDYSFSA-N 1 2 352.478 2.600 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@]1(C)CC=CCC1 ZINC001081731306 993941567 /nfs/dbraw/zinc/94/15/67/993941567.db2.gz WLOPBTKJZYFTGY-KCZVDYSFSA-N 1 2 352.478 2.600 20 30 FFEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001082112316 994196016 /nfs/dbraw/zinc/19/60/16/994196016.db2.gz WDLJITYTHZNCRY-VBSBHUPXSA-N 1 2 374.912 2.943 20 30 FFEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001082112316 994196021 /nfs/dbraw/zinc/19/60/21/994196021.db2.gz WDLJITYTHZNCRY-VBSBHUPXSA-N 1 2 374.912 2.943 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001082152346 994210152 /nfs/dbraw/zinc/21/01/52/994210152.db2.gz GHGULXOWHCOKPW-RARDXLECSA-N 1 2 373.472 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001082152346 994210164 /nfs/dbraw/zinc/21/01/64/994210164.db2.gz GHGULXOWHCOKPW-RARDXLECSA-N 1 2 373.472 2.695 20 30 FFEDLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001082150962 994211720 /nfs/dbraw/zinc/21/17/20/994211720.db2.gz UUTAMOOUFYDWJR-NXWXRZEISA-N 1 2 360.885 2.553 20 30 FFEDLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001082150962 994211733 /nfs/dbraw/zinc/21/17/33/994211733.db2.gz UUTAMOOUFYDWJR-NXWXRZEISA-N 1 2 360.885 2.553 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H](C)c1ccccc1 ZINC001082330451 994370931 /nfs/dbraw/zinc/37/09/31/994370931.db2.gz WAJQUIXPPVXCDE-VLCRHTCISA-N 1 2 362.473 2.657 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H](C)c1ccccc1 ZINC001082330451 994370942 /nfs/dbraw/zinc/37/09/42/994370942.db2.gz WAJQUIXPPVXCDE-VLCRHTCISA-N 1 2 362.473 2.657 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1[C@@H](c3ccccc3)C1(C)C)CO2 ZINC001053802378 1015879463 /nfs/dbraw/zinc/87/94/63/1015879463.db2.gz AJKBUTKGRRHADA-QRVBRYPASA-N 1 2 354.494 2.962 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001098010058 1015937556 /nfs/dbraw/zinc/93/75/56/1015937556.db2.gz XQOUPEXSELJBEF-YSDSKTICSA-N 1 2 373.497 2.884 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001098010058 1015937565 /nfs/dbraw/zinc/93/75/65/1015937565.db2.gz XQOUPEXSELJBEF-YSDSKTICSA-N 1 2 373.497 2.884 20 30 FFEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 ZINC000747820468 995536930 /nfs/dbraw/zinc/53/69/30/995536930.db2.gz XZJNSSUNZJOGIM-LBPRGKRZSA-N 1 2 372.494 2.536 20 30 FFEDLO C#C[C@H](NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)c1ccc(F)cc1 ZINC000812955071 995591787 /nfs/dbraw/zinc/59/17/87/995591787.db2.gz MCEQHORQCOPART-KRWDZBQOSA-N 1 2 368.412 2.862 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(C)(C)CC)cc3)[C@H]2C1 ZINC001083115706 996062534 /nfs/dbraw/zinc/06/25/34/996062534.db2.gz VYCJKFGPFSUWQZ-VQTJNVASSA-N 1 2 354.494 2.923 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(C)(C)CC)cc3)[C@H]2C1 ZINC001083115706 996062539 /nfs/dbraw/zinc/06/25/39/996062539.db2.gz VYCJKFGPFSUWQZ-VQTJNVASSA-N 1 2 354.494 2.923 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3coc4ccc(CC)cc34)[C@H]2C1 ZINC001083082584 996074483 /nfs/dbraw/zinc/07/44/83/996074483.db2.gz CKZWPRRVQDGSBF-AZUAARDMSA-N 1 2 352.434 2.544 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3coc4ccc(CC)cc34)[C@H]2C1 ZINC001083082584 996074485 /nfs/dbraw/zinc/07/44/85/996074485.db2.gz CKZWPRRVQDGSBF-AZUAARDMSA-N 1 2 352.434 2.544 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4cccc(Cl)c4)C[C@H]32)no1 ZINC001084175822 996307179 /nfs/dbraw/zinc/30/71/79/996307179.db2.gz ZKDMNQXZHYCKKD-VQIMIIECSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4cccc(Cl)c4)C[C@H]32)no1 ZINC001084175822 996307184 /nfs/dbraw/zinc/30/71/84/996307184.db2.gz ZKDMNQXZHYCKKD-VQIMIIECSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1ncc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)s1 ZINC001084224707 996373565 /nfs/dbraw/zinc/37/35/65/996373565.db2.gz JZRKETSDXLVEOS-IUODEOHRSA-N 1 2 358.492 2.731 20 30 FFEDLO Cc1ncc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)s1 ZINC001084224707 996373572 /nfs/dbraw/zinc/37/35/72/996373572.db2.gz JZRKETSDXLVEOS-IUODEOHRSA-N 1 2 358.492 2.731 20 30 FFEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(Cl)s4)C[C@H]32)c[nH]1 ZINC001084289039 996395557 /nfs/dbraw/zinc/39/55/57/996395557.db2.gz MOXAQHIZXDTLLT-IAQYHMDHSA-N 1 2 360.870 2.948 20 30 FFEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(Cl)s4)C[C@H]32)c[nH]1 ZINC001084289039 996395562 /nfs/dbraw/zinc/39/55/62/996395562.db2.gz MOXAQHIZXDTLLT-IAQYHMDHSA-N 1 2 360.870 2.948 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(Cl)cc4)C[C@H]32)co1 ZINC001084297137 996402300 /nfs/dbraw/zinc/40/23/00/996402300.db2.gz OYWUXDBHDKPBGY-VQIMIIECSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(Cl)cc4)C[C@H]32)co1 ZINC001084297137 996402304 /nfs/dbraw/zinc/40/23/04/996402304.db2.gz OYWUXDBHDKPBGY-VQIMIIECSA-N 1 2 369.852 2.834 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3coc(C)c3)[C@@H]2C1 ZINC001084303473 996434756 /nfs/dbraw/zinc/43/47/56/996434756.db2.gz GKGQNFMIGALZHE-VQIMIIECSA-N 1 2 365.433 2.815 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2CN(C(=O)c3coc(C)c3)[C@@H]2C1 ZINC001084303473 996434757 /nfs/dbraw/zinc/43/47/57/996434757.db2.gz GKGQNFMIGALZHE-VQIMIIECSA-N 1 2 365.433 2.815 20 30 FFEDLO O=C(C#CC1CC1)N1C[C@H]2CC[N@H+](Cc3ncc(-c4ccccc4)o3)C[C@H]21 ZINC001084328595 996458151 /nfs/dbraw/zinc/45/81/51/996458151.db2.gz AICYEOMONOLSAY-RTBURBONSA-N 1 2 361.445 2.788 20 30 FFEDLO O=C(C#CC1CC1)N1C[C@H]2CC[N@@H+](Cc3ncc(-c4ccccc4)o3)C[C@H]21 ZINC001084328595 996458155 /nfs/dbraw/zinc/45/81/55/996458155.db2.gz AICYEOMONOLSAY-RTBURBONSA-N 1 2 361.445 2.788 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3c(F)cncc3F)[C@@H]2C1 ZINC001084377619 996502370 /nfs/dbraw/zinc/50/23/70/996502370.db2.gz QXLYYDLMCDJDHC-CRAIPNDOSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(F)cncc3F)[C@@H]2C1 ZINC001084377619 996502373 /nfs/dbraw/zinc/50/23/73/996502373.db2.gz QXLYYDLMCDJDHC-CRAIPNDOSA-N 1 2 368.387 2.578 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3-c3cn[nH]c3)[C@@H]2C1 ZINC001084393754 996534812 /nfs/dbraw/zinc/53/48/12/996534812.db2.gz GYLVSTQJXOQAGY-RDTXWAMCSA-N 1 2 356.857 2.976 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3-c3cn[nH]c3)[C@@H]2C1 ZINC001084393754 996534818 /nfs/dbraw/zinc/53/48/18/996534818.db2.gz GYLVSTQJXOQAGY-RDTXWAMCSA-N 1 2 356.857 2.976 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C)nc4onc(C)c43)[C@@H]2C1 ZINC001084557182 996676242 /nfs/dbraw/zinc/67/62/42/996676242.db2.gz TZEJBIOIWKRBFC-UKRRQHHQSA-N 1 2 360.845 2.738 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C)nc4onc(C)c43)[C@@H]2C1 ZINC001084557182 996676246 /nfs/dbraw/zinc/67/62/46/996676246.db2.gz TZEJBIOIWKRBFC-UKRRQHHQSA-N 1 2 360.845 2.738 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001084634982 996749122 /nfs/dbraw/zinc/74/91/22/996749122.db2.gz MBZJMNGFOZXUED-ZXYWRSMDSA-N 1 2 366.456 2.993 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001084634982 996749127 /nfs/dbraw/zinc/74/91/27/996749127.db2.gz MBZJMNGFOZXUED-ZXYWRSMDSA-N 1 2 366.456 2.993 20 30 FFEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(F)cc(F)c4)C[C@H]32)c1 ZINC001084647366 996765463 /nfs/dbraw/zinc/76/54/63/996765463.db2.gz UFGXRTHQVALTLL-OXQOHEQNSA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(F)cc(F)c4)C[C@H]32)c1 ZINC001084647366 996765468 /nfs/dbraw/zinc/76/54/68/996765468.db2.gz UFGXRTHQVALTLL-OXQOHEQNSA-N 1 2 367.399 2.688 20 30 FFEDLO Cc1c(CN2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)[nH+]c2ccccn12 ZINC001137273601 1016069211 /nfs/dbraw/zinc/06/92/11/1016069211.db2.gz PBQAONOQXCRFHU-OAHLLOKOSA-N 1 2 355.442 2.588 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cc(F)c(F)cc3F)[C@@H]2C1 ZINC001084685131 996893782 /nfs/dbraw/zinc/89/37/82/996893782.db2.gz PVWOVIGOZAROAR-BDJLRTHQSA-N 1 2 358.791 2.932 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cc(F)c(F)cc3F)[C@@H]2C1 ZINC001084685131 996893791 /nfs/dbraw/zinc/89/37/91/996893791.db2.gz PVWOVIGOZAROAR-BDJLRTHQSA-N 1 2 358.791 2.932 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3[nH]nc(C(F)(F)F)c3C)[C@@H]2C1 ZINC001084701900 996986215 /nfs/dbraw/zinc/98/62/15/996986215.db2.gz WYXRDCRXGSZGLB-GHMZBOCLSA-N 1 2 362.783 2.636 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3[nH]nc(C(F)(F)F)c3C)[C@@H]2C1 ZINC001084701900 996986225 /nfs/dbraw/zinc/98/62/25/996986225.db2.gz WYXRDCRXGSZGLB-GHMZBOCLSA-N 1 2 362.783 2.636 20 30 FFEDLO CCOC(=O)c1c(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)cnn1C ZINC001136910315 997019266 /nfs/dbraw/zinc/01/92/66/997019266.db2.gz XRDBPNLUDUCLLG-KRWDZBQOSA-N 1 2 368.437 2.512 20 30 FFEDLO CCOC(=O)c1c(C[N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)cnn1C ZINC001136910315 997019280 /nfs/dbraw/zinc/01/92/80/997019280.db2.gz XRDBPNLUDUCLLG-KRWDZBQOSA-N 1 2 368.437 2.512 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084715923 997055401 /nfs/dbraw/zinc/05/54/01/997055401.db2.gz FBQUPOPDRVISJQ-NCXUSEDFSA-N 1 2 360.885 2.844 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084715923 997055416 /nfs/dbraw/zinc/05/54/16/997055416.db2.gz FBQUPOPDRVISJQ-NCXUSEDFSA-N 1 2 360.885 2.844 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)ccn1 ZINC001084730984 997110117 /nfs/dbraw/zinc/11/01/17/997110117.db2.gz ATLWOUOGKBTWFU-UYAOXDASSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)ccn1 ZINC001084730984 997110125 /nfs/dbraw/zinc/11/01/25/997110125.db2.gz ATLWOUOGKBTWFU-UYAOXDASSA-N 1 2 364.424 2.747 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000824867878 997114139 /nfs/dbraw/zinc/11/41/39/997114139.db2.gz YMHLRYDVPBYRDK-UHFFFAOYSA-N 1 2 371.437 2.657 20 30 FFEDLO CCc1nc(C)c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)o1 ZINC001084757788 997217489 /nfs/dbraw/zinc/21/74/89/997217489.db2.gz NQOQRYSYQXUWLU-CZUORRHYSA-N 1 2 370.478 2.825 20 30 FFEDLO CCc1nc(C)c(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)o1 ZINC001084757788 997217494 /nfs/dbraw/zinc/21/74/94/997217494.db2.gz NQOQRYSYQXUWLU-CZUORRHYSA-N 1 2 370.478 2.825 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(OC)c3OC)[C@@H]2C1 ZINC001084795228 997416369 /nfs/dbraw/zinc/41/63/69/997416369.db2.gz RCNTWOJVDQOUJU-UKRRQHHQSA-N 1 2 350.846 2.603 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(OC)c3OC)[C@@H]2C1 ZINC001084795228 997416379 /nfs/dbraw/zinc/41/63/79/997416379.db2.gz RCNTWOJVDQOUJU-UKRRQHHQSA-N 1 2 350.846 2.603 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001056405750 1016133473 /nfs/dbraw/zinc/13/34/73/1016133473.db2.gz PMLGHHCIRUYAGC-AHCXZYCDSA-N 1 2 370.497 2.707 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001056405750 1016133478 /nfs/dbraw/zinc/13/34/78/1016133478.db2.gz PMLGHHCIRUYAGC-AHCXZYCDSA-N 1 2 370.497 2.707 20 30 FFEDLO CCn1cccc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084834536 997586639 /nfs/dbraw/zinc/58/66/39/997586639.db2.gz HVPLGIIRKYRGNE-WIYYLYMNSA-N 1 2 365.452 2.845 20 30 FFEDLO CCn1cccc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084834536 997586650 /nfs/dbraw/zinc/58/66/50/997586650.db2.gz HVPLGIIRKYRGNE-WIYYLYMNSA-N 1 2 365.452 2.845 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(NC(C)=O)ccc3C)[C@@H]2C1 ZINC001084872464 997739452 /nfs/dbraw/zinc/73/94/52/997739452.db2.gz MEFZBSQIAKLXFQ-CRAIPNDOSA-N 1 2 361.873 2.852 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(NC(C)=O)ccc3C)[C@@H]2C1 ZINC001084872464 997739462 /nfs/dbraw/zinc/73/94/62/997739462.db2.gz MEFZBSQIAKLXFQ-CRAIPNDOSA-N 1 2 361.873 2.852 20 30 FFEDLO Cc1ccc(S(=O)(=O)CCC[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1 ZINC000844365137 997835333 /nfs/dbraw/zinc/83/53/33/997835333.db2.gz BEEWQCWJBDEXCL-HXUWFJFHSA-N 1 2 372.490 2.696 20 30 FFEDLO Cc1ccc(S(=O)(=O)CCC[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1 ZINC000844365137 997835348 /nfs/dbraw/zinc/83/53/48/997835348.db2.gz BEEWQCWJBDEXCL-HXUWFJFHSA-N 1 2 372.490 2.696 20 30 FFEDLO Cc1sc2nc(C[N@H+](C)C[C@@H](O)c3cccc(C#N)c3)nc(N)c2c1C ZINC000844365991 997837158 /nfs/dbraw/zinc/83/71/58/997837158.db2.gz KPXNRWMSQFFAFZ-OAHLLOKOSA-N 1 2 367.478 2.927 20 30 FFEDLO Cc1sc2nc(C[N@@H+](C)C[C@@H](O)c3cccc(C#N)c3)nc(N)c2c1C ZINC000844365991 997837166 /nfs/dbraw/zinc/83/71/66/997837166.db2.gz KPXNRWMSQFFAFZ-OAHLLOKOSA-N 1 2 367.478 2.927 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1OC ZINC001090943032 997891706 /nfs/dbraw/zinc/89/17/06/997891706.db2.gz JZUXUIBKZITYKR-HZPDHXFCSA-N 1 2 360.502 2.831 20 30 FFEDLO N#Cc1cncc(C[NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)c1 ZINC001144086755 997986842 /nfs/dbraw/zinc/98/68/42/997986842.db2.gz YZJNWDUHSSNAFB-UHFFFAOYSA-N 1 2 356.433 2.732 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(-c4cccs4)o3)[C@H]2C1 ZINC001084906710 997987470 /nfs/dbraw/zinc/98/74/70/997987470.db2.gz DSTSVSXAXXLTHX-KFWWJZLASA-N 1 2 370.478 2.986 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(-c4cccs4)o3)[C@H]2C1 ZINC001084906710 997987484 /nfs/dbraw/zinc/98/74/84/997987484.db2.gz DSTSVSXAXXLTHX-KFWWJZLASA-N 1 2 370.478 2.986 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2cncc(C#N)c2)Cc2nn(CC3CC3)cc21 ZINC001144074809 997991902 /nfs/dbraw/zinc/99/19/02/997991902.db2.gz FNTKODHNSTZTSL-SFHVURJKSA-N 1 2 351.454 2.696 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)Cc2nn(CC3CC3)cc21 ZINC001144074809 997991911 /nfs/dbraw/zinc/99/19/11/997991911.db2.gz FNTKODHNSTZTSL-SFHVURJKSA-N 1 2 351.454 2.696 20 30 FFEDLO CCc1nc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)cs1 ZINC001084914990 998068560 /nfs/dbraw/zinc/06/85/60/998068560.db2.gz SILBUYZZWCAWAU-PBHICJAKSA-N 1 2 369.494 2.642 20 30 FFEDLO CCc1nc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)cs1 ZINC001084914990 998068565 /nfs/dbraw/zinc/06/85/65/998068565.db2.gz SILBUYZZWCAWAU-PBHICJAKSA-N 1 2 369.494 2.642 20 30 FFEDLO O=C(C(F)C(F)(F)F)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1 ZINC001084945604 998261088 /nfs/dbraw/zinc/26/10/88/998261088.db2.gz KKAVAUWQMKSGKU-IKGGRYGDSA-N 1 2 368.374 2.861 20 30 FFEDLO O=C(C(F)C(F)(F)F)N1CC[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@H]2C1 ZINC001084945604 998261097 /nfs/dbraw/zinc/26/10/97/998261097.db2.gz KKAVAUWQMKSGKU-IKGGRYGDSA-N 1 2 368.374 2.861 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nonc3C)[C@H]2C1 ZINC001084949035 998273768 /nfs/dbraw/zinc/27/37/68/998273768.db2.gz RZAFITSMQVWYOI-HIFRSBDPSA-N 1 2 352.866 2.580 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nonc3C)[C@H]2C1 ZINC001084949035 998273780 /nfs/dbraw/zinc/27/37/80/998273780.db2.gz RZAFITSMQVWYOI-HIFRSBDPSA-N 1 2 352.866 2.580 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049731087 1016210135 /nfs/dbraw/zinc/21/01/35/1016210135.db2.gz XDLWNJHCCBRTDU-DMSXTEQDSA-N 1 2 371.456 2.688 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049731087 1016210142 /nfs/dbraw/zinc/21/01/42/1016210142.db2.gz XDLWNJHCCBRTDU-DMSXTEQDSA-N 1 2 371.456 2.688 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000732061645 998433685 /nfs/dbraw/zinc/43/36/85/998433685.db2.gz KROLZXBWBHXLOW-IBGZPJMESA-N 1 2 353.466 2.595 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000732061645 998433694 /nfs/dbraw/zinc/43/36/94/998433694.db2.gz KROLZXBWBHXLOW-IBGZPJMESA-N 1 2 353.466 2.595 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000732066251 998438296 /nfs/dbraw/zinc/43/82/96/998438296.db2.gz MLSMVKWAFSLMFY-NRFANRHFSA-N 1 2 373.456 2.926 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000732066251 998438304 /nfs/dbraw/zinc/43/83/04/998438304.db2.gz MLSMVKWAFSLMFY-NRFANRHFSA-N 1 2 373.456 2.926 20 30 FFEDLO C[C@@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)C(=O)N(CCC#N)c1ccccc1 ZINC000845278877 998462665 /nfs/dbraw/zinc/46/26/65/998462665.db2.gz WUEAZMDNIYLMOF-HZPDHXFCSA-N 1 2 354.410 2.713 20 30 FFEDLO C=CC1CC[NH+](Cn2c3cc(C(=O)OCC)ccc3n(CC)c2=O)CC1 ZINC000732180811 998527029 /nfs/dbraw/zinc/52/70/29/998527029.db2.gz CNEKJTYSHCIBNU-UHFFFAOYSA-N 1 2 357.454 2.855 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@H](C)O1 ZINC000732207974 998532831 /nfs/dbraw/zinc/53/28/31/998532831.db2.gz FRSDZFGXNDJFAB-IMJJTQAJSA-N 1 2 350.422 2.723 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@H](C)O1 ZINC000732207974 998532843 /nfs/dbraw/zinc/53/28/43/998532843.db2.gz FRSDZFGXNDJFAB-IMJJTQAJSA-N 1 2 350.422 2.723 20 30 FFEDLO N#C[C@H](C(=O)C[N@@H+]1CC[C@@H](c2ccco2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000732205097 998547001 /nfs/dbraw/zinc/54/70/01/998547001.db2.gz AJZGPEOPHWEQOC-UKRRQHHQSA-N 1 2 362.389 2.594 20 30 FFEDLO N#C[C@H](C(=O)C[N@H+]1CC[C@@H](c2ccco2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000732205097 998547016 /nfs/dbraw/zinc/54/70/16/998547016.db2.gz AJZGPEOPHWEQOC-UKRRQHHQSA-N 1 2 362.389 2.594 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3nc4cnccc4s3)C[C@@H]21 ZINC001084985302 998548595 /nfs/dbraw/zinc/54/85/95/998548595.db2.gz JHFPYFFQUWXHIM-OCCSQVGLSA-N 1 2 362.886 2.980 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3nc4cnccc4s3)C[C@@H]21 ZINC001084985302 998548604 /nfs/dbraw/zinc/54/86/04/998548604.db2.gz JHFPYFFQUWXHIM-OCCSQVGLSA-N 1 2 362.886 2.980 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000733196195 998908033 /nfs/dbraw/zinc/90/80/33/998908033.db2.gz IIHJUSCOAUPMRG-BBWFWOEESA-N 1 2 365.518 2.905 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000733196195 998908037 /nfs/dbraw/zinc/90/80/37/998908037.db2.gz IIHJUSCOAUPMRG-BBWFWOEESA-N 1 2 365.518 2.905 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccon1 ZINC001049783737 1016267075 /nfs/dbraw/zinc/26/70/75/1016267075.db2.gz VDUQQRWPBOTBLD-VJANTYMQSA-N 1 2 359.470 2.611 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccon1 ZINC001049783737 1016267083 /nfs/dbraw/zinc/26/70/83/1016267083.db2.gz VDUQQRWPBOTBLD-VJANTYMQSA-N 1 2 359.470 2.611 20 30 FFEDLO C=CCCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)CC1 ZINC001065713044 999125335 /nfs/dbraw/zinc/12/53/35/999125335.db2.gz KNYULEJRLIAISR-GUDVDZBRSA-N 1 2 361.530 2.524 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccn2)CCC1N=Nc1ccccc1S(C)(=O)=O ZINC000734365044 999274003 /nfs/dbraw/zinc/27/40/03/999274003.db2.gz QQRKGFPXJAHQAR-OAHLLOKOSA-N 1 2 372.494 2.795 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1N=Nc1ccccc1S(C)(=O)=O ZINC000734365044 999274008 /nfs/dbraw/zinc/27/40/08/999274008.db2.gz QQRKGFPXJAHQAR-OAHLLOKOSA-N 1 2 372.494 2.795 20 30 FFEDLO C[C@H](C(=O)OCCOc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000735958952 999524191 /nfs/dbraw/zinc/52/41/91/999524191.db2.gz OBICISJSFGXWPQ-MRXNPFEDSA-N 1 2 350.418 2.927 20 30 FFEDLO C[C@H](C(=O)OCCOc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000735958952 999524194 /nfs/dbraw/zinc/52/41/94/999524194.db2.gz OBICISJSFGXWPQ-MRXNPFEDSA-N 1 2 350.418 2.927 20 30 FFEDLO Cc1cccc(C)c1CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000738290321 999624973 /nfs/dbraw/zinc/62/49/73/999624973.db2.gz XSNUUTZLYUBWMI-UHFFFAOYSA-N 1 2 353.466 2.973 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnc(C)s1 ZINC001085862911 999659359 /nfs/dbraw/zinc/65/93/59/999659359.db2.gz LRWPBQXVVKRTAK-SZMVWBNQSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnc(C)s1 ZINC001085862911 999659360 /nfs/dbraw/zinc/65/93/60/999659360.db2.gz LRWPBQXVVKRTAK-SZMVWBNQSA-N 1 2 363.527 2.856 20 30 FFEDLO Cc1nsc(NCC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1C#N ZINC001066398239 999768923 /nfs/dbraw/zinc/76/89/23/999768923.db2.gz YHZQJMUZBMSFLV-MGPQQGTHSA-N 1 2 370.482 2.501 20 30 FFEDLO Cc1nsc(NCC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1C#N ZINC001066398239 999768924 /nfs/dbraw/zinc/76/89/24/999768924.db2.gz YHZQJMUZBMSFLV-MGPQQGTHSA-N 1 2 370.482 2.501 20 30 FFEDLO CSc1ccc([C@H](O)[C@H](CO)Nc2cc(C3(C#N)CC3)cc[nH+]2)cc1 ZINC001169087862 1000022065 /nfs/dbraw/zinc/02/20/65/1000022065.db2.gz YZBMWQHDSXZRKV-WMZOPIPTSA-N 1 2 355.463 2.865 20 30 FFEDLO Cc1cnc(C#N)c(N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)n1 ZINC001169520887 1000056224 /nfs/dbraw/zinc/05/62/24/1000056224.db2.gz QBCPKFYSGIBFAN-WMZOPIPTSA-N 1 2 365.437 2.528 20 30 FFEDLO Cc1cnc(C#N)c(N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)n1 ZINC001169520885 1000056359 /nfs/dbraw/zinc/05/63/59/1000056359.db2.gz QBCPKFYSGIBFAN-FUHWJXTLSA-N 1 2 365.437 2.528 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC(C)(C)C)C3)c1 ZINC001108936546 1000132298 /nfs/dbraw/zinc/13/22/98/1000132298.db2.gz MFFWJQRKAHRRAE-QYZOEREBSA-N 1 2 367.493 2.764 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC(C)(C)C)C3)c1 ZINC001108936546 1000132300 /nfs/dbraw/zinc/13/23/00/1000132300.db2.gz MFFWJQRKAHRRAE-QYZOEREBSA-N 1 2 367.493 2.764 20 30 FFEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(O)ccc1Cl ZINC001108951923 1000135900 /nfs/dbraw/zinc/13/59/00/1000135900.db2.gz KRVFVXOYHIPFBY-KCXAZCMYSA-N 1 2 365.886 2.524 20 30 FFEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(O)ccc1Cl ZINC001108951923 1000135901 /nfs/dbraw/zinc/13/59/01/1000135901.db2.gz KRVFVXOYHIPFBY-KCXAZCMYSA-N 1 2 365.886 2.524 20 30 FFEDLO COCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109048861 1000156107 /nfs/dbraw/zinc/15/61/07/1000156107.db2.gz PAXIWUCXKUAHLM-NEWSRXKRSA-N 1 2 359.445 2.736 20 30 FFEDLO COCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109048861 1000156108 /nfs/dbraw/zinc/15/61/08/1000156108.db2.gz PAXIWUCXKUAHLM-NEWSRXKRSA-N 1 2 359.445 2.736 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCCc2ccccc21 ZINC001109058278 1000161024 /nfs/dbraw/zinc/16/10/24/1000161024.db2.gz DOVPFMRFWAPBDT-HBFSDRIKSA-N 1 2 367.493 2.654 20 30 FFEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCCc2ccccc21 ZINC001109058278 1000161027 /nfs/dbraw/zinc/16/10/27/1000161027.db2.gz DOVPFMRFWAPBDT-HBFSDRIKSA-N 1 2 367.493 2.654 20 30 FFEDLO CC[C@@]1(C)CC(=O)N(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1=O ZINC000767972354 1000164879 /nfs/dbraw/zinc/16/48/79/1000164879.db2.gz JZXBOAMFALXFTP-FQEVSTJZSA-N 1 2 355.438 2.534 20 30 FFEDLO CC[C@]1(C)CC(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1=O ZINC000767973008 1000165197 /nfs/dbraw/zinc/16/51/97/1000165197.db2.gz NMYYNXNYWOBLHW-HXUWFJFHSA-N 1 2 355.438 2.534 20 30 FFEDLO CC[C@@H](C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001109162735 1000177746 /nfs/dbraw/zinc/17/77/46/1000177746.db2.gz VFZAUDAPNIINDJ-XCLNPWKQSA-N 1 2 358.457 2.714 20 30 FFEDLO CC[C@@H](C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001109162735 1000177747 /nfs/dbraw/zinc/17/77/47/1000177747.db2.gz VFZAUDAPNIINDJ-XCLNPWKQSA-N 1 2 358.457 2.714 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)cs1)C2 ZINC001109238296 1000196780 /nfs/dbraw/zinc/19/67/80/1000196780.db2.gz UJZYYALOUHHHPW-IKGGRYGDSA-N 1 2 373.522 2.592 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)cs1)C2 ZINC001109238296 1000196781 /nfs/dbraw/zinc/19/67/81/1000196781.db2.gz UJZYYALOUHHHPW-IKGGRYGDSA-N 1 2 373.522 2.592 20 30 FFEDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109262609 1000219591 /nfs/dbraw/zinc/21/95/91/1000219591.db2.gz OOTFYWLMGXQCPU-YSHGAJCASA-N 1 2 373.541 2.595 20 30 FFEDLO C[C@H](C(=O)NC1CCCCC1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109262609 1000219593 /nfs/dbraw/zinc/21/95/93/1000219593.db2.gz OOTFYWLMGXQCPU-YSHGAJCASA-N 1 2 373.541 2.595 20 30 FFEDLO Cc1cc(N2CC[C@@H]3CCN(C(=O)C#CC(C)C)C[C@@H]32)nc(C(C)C)[nH+]1 ZINC001091213330 1000272973 /nfs/dbraw/zinc/27/29/73/1000272973.db2.gz QVWAJABPSNYCCQ-ROUUACIJSA-N 1 2 354.498 2.995 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nnn1CC ZINC001109329281 1000278959 /nfs/dbraw/zinc/27/89/59/1000278959.db2.gz QZWQGYJNCJMJEI-SQNIBIBYSA-N 1 2 357.502 2.596 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nnn1CC ZINC001109329281 1000278961 /nfs/dbraw/zinc/27/89/61/1000278961.db2.gz QZWQGYJNCJMJEI-SQNIBIBYSA-N 1 2 357.502 2.596 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001091289069 1000376087 /nfs/dbraw/zinc/37/60/87/1000376087.db2.gz VECBFRADHNYUFW-HUUCEWRRSA-N 1 2 360.506 2.688 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC001091292170 1000378434 /nfs/dbraw/zinc/37/84/34/1000378434.db2.gz YKSNIMDCMJQPTF-ATZDWAIDSA-N 1 2 371.529 2.906 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001091292170 1000378439 /nfs/dbraw/zinc/37/84/39/1000378439.db2.gz YKSNIMDCMJQPTF-ATZDWAIDSA-N 1 2 371.529 2.906 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000769754820 1000589234 /nfs/dbraw/zinc/58/92/34/1000589234.db2.gz ZUSMQQCIGVLNOP-MJGOQNOKSA-N 1 2 363.465 2.667 20 30 FFEDLO COCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)CCC1 ZINC001109531286 1000609363 /nfs/dbraw/zinc/60/93/63/1000609363.db2.gz UQFAXXJQLPDJAO-AABGKKOBSA-N 1 2 370.468 2.715 20 30 FFEDLO COCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)CCC1 ZINC001109531286 1000609366 /nfs/dbraw/zinc/60/93/66/1000609366.db2.gz UQFAXXJQLPDJAO-AABGKKOBSA-N 1 2 370.468 2.715 20 30 FFEDLO Cc1cc(CO[NH+]=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)on1 ZINC000769843029 1000619733 /nfs/dbraw/zinc/61/97/33/1000619733.db2.gz UHRIRCLMCUSAHP-UHFFFAOYSA-N 1 2 360.414 2.845 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C1CCC1 ZINC001109574427 1000663401 /nfs/dbraw/zinc/66/34/01/1000663401.db2.gz ZQXLTIRKKJOXRK-FYQPLNBISA-N 1 2 353.466 2.595 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C1CCC1 ZINC001109574427 1000663404 /nfs/dbraw/zinc/66/34/04/1000663404.db2.gz ZQXLTIRKKJOXRK-FYQPLNBISA-N 1 2 353.466 2.595 20 30 FFEDLO CCC[C@@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109592408 1000690171 /nfs/dbraw/zinc/69/01/71/1000690171.db2.gz RBHPLJVPTRIABO-XGXHKWSGSA-N 1 2 359.445 2.734 20 30 FFEDLO CCC[C@@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109592408 1000690173 /nfs/dbraw/zinc/69/01/73/1000690173.db2.gz RBHPLJVPTRIABO-XGXHKWSGSA-N 1 2 359.445 2.734 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(c2ccccc2)C1=O ZINC001109605649 1000716006 /nfs/dbraw/zinc/71/60/06/1000716006.db2.gz LMHBACRYMHZYBR-XWSJACJDSA-N 1 2 367.493 2.726 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(c2ccccc2)C1=O ZINC001109605649 1000716011 /nfs/dbraw/zinc/71/60/11/1000716011.db2.gz LMHBACRYMHZYBR-XWSJACJDSA-N 1 2 367.493 2.726 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCC1 ZINC001109631496 1000746245 /nfs/dbraw/zinc/74/62/45/1000746245.db2.gz DEXRHPQJHPMXRS-YSHGAJCASA-N 1 2 361.530 2.759 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCC1 ZINC001109631496 1000746248 /nfs/dbraw/zinc/74/62/48/1000746248.db2.gz DEXRHPQJHPMXRS-YSHGAJCASA-N 1 2 361.530 2.759 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC(C)(C)C ZINC001109632864 1000749534 /nfs/dbraw/zinc/74/95/34/1000749534.db2.gz GLFQLABYKCNFBH-BDXSIMOUSA-N 1 2 363.546 2.863 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC(C)(C)C ZINC001109632864 1000749540 /nfs/dbraw/zinc/74/95/40/1000749540.db2.gz GLFQLABYKCNFBH-BDXSIMOUSA-N 1 2 363.546 2.863 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109692469 1000863270 /nfs/dbraw/zinc/86/32/70/1000863270.db2.gz XLCMDZGPDCUHEZ-BTHPGYMESA-N 1 2 373.472 2.980 20 30 FFEDLO CO[C@H](CC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109692469 1000863278 /nfs/dbraw/zinc/86/32/78/1000863278.db2.gz XLCMDZGPDCUHEZ-BTHPGYMESA-N 1 2 373.472 2.980 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(C)nc1Cl)C2 ZINC001276172861 1016455722 /nfs/dbraw/zinc/45/57/22/1016455722.db2.gz PMCKEQYPIKTUSM-LJQANCHMSA-N 1 2 363.889 2.670 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(C)nc1Cl)C2 ZINC001276172861 1016455727 /nfs/dbraw/zinc/45/57/27/1016455727.db2.gz PMCKEQYPIKTUSM-LJQANCHMSA-N 1 2 363.889 2.670 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@H](C)c3nnc(C)[nH]3)C[C@@]2(C)C1 ZINC001091701746 1001092355 /nfs/dbraw/zinc/09/23/55/1001092355.db2.gz FZUIUEWHGMSMRL-OMPKRAJASA-N 1 2 365.909 2.733 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2C[N@H+]([C@H](C)c3nnc(C)[nH]3)C[C@@]2(C)C1 ZINC001091701746 1001092360 /nfs/dbraw/zinc/09/23/60/1001092360.db2.gz FZUIUEWHGMSMRL-OMPKRAJASA-N 1 2 365.909 2.733 20 30 FFEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCC[C@H]2CCCO2)cc1 ZINC000786748993 1001621511 /nfs/dbraw/zinc/62/15/11/1001621511.db2.gz TYYBWNQBAKWFJX-MRXNPFEDSA-N 1 2 363.458 2.917 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)cc1NC(C)=O)C2 ZINC001095500217 1016518553 /nfs/dbraw/zinc/51/85/53/1016518553.db2.gz QRHRONHOMVMXJC-COXVUDFISA-N 1 2 365.836 2.872 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)cc1NC(C)=O)C2 ZINC001095500217 1016518562 /nfs/dbraw/zinc/51/85/62/1016518562.db2.gz QRHRONHOMVMXJC-COXVUDFISA-N 1 2 365.836 2.872 20 30 FFEDLO N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(O)ccc1Cl ZINC001110300720 1001878423 /nfs/dbraw/zinc/87/84/23/1001878423.db2.gz KRVFVXOYHIPFBY-WQVCFCJDSA-N 1 2 365.886 2.524 20 30 FFEDLO N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(O)ccc1Cl ZINC001110300720 1001878442 /nfs/dbraw/zinc/87/84/42/1001878442.db2.gz KRVFVXOYHIPFBY-WQVCFCJDSA-N 1 2 365.886 2.524 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CCN1c1ccc(C#N)c(C)n1 ZINC001091829117 1001912632 /nfs/dbraw/zinc/91/26/32/1001912632.db2.gz SUXMPDBIWAYJIY-FHLIZLRMSA-N 1 2 366.469 2.583 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CCN(c3nc(C)[nH+]c4c3CCCC4)C[C@H]2C1 ZINC001091851873 1001950892 /nfs/dbraw/zinc/95/08/92/1001950892.db2.gz BGWSFZJHQRQJQN-MSOLQXFVSA-N 1 2 366.509 2.752 20 30 FFEDLO Cc1cc(N2CC[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC001091852118 1001951407 /nfs/dbraw/zinc/95/14/07/1001951407.db2.gz KKJAPIXDRFTCIB-MSOLQXFVSA-N 1 2 366.509 2.997 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001096789551 1016545194 /nfs/dbraw/zinc/54/51/94/1016545194.db2.gz HFKREVZZVYYITQ-WQVCFCJDSA-N 1 2 356.451 2.760 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001096789551 1016545209 /nfs/dbraw/zinc/54/52/09/1016545209.db2.gz HFKREVZZVYYITQ-WQVCFCJDSA-N 1 2 356.451 2.760 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cc(Cl)cc(OC)c2OC)C1=O ZINC001276218176 1016561950 /nfs/dbraw/zinc/56/19/50/1016561950.db2.gz JXOURESQTLFRME-LJQANCHMSA-N 1 2 362.857 2.557 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(Cl)cc(OC)c2OC)C1=O ZINC001276218176 1016561964 /nfs/dbraw/zinc/56/19/64/1016561964.db2.gz JXOURESQTLFRME-LJQANCHMSA-N 1 2 362.857 2.557 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(CCC)no3)C[C@@]2(C)C1 ZINC001091911861 1002064243 /nfs/dbraw/zinc/06/42/43/1002064243.db2.gz ZIXXGPLOISGYSZ-QRWLVFNGSA-N 1 2 360.502 2.905 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nc(CCC)no3)C[C@@]2(C)C1 ZINC001091911861 1002064252 /nfs/dbraw/zinc/06/42/52/1002064252.db2.gz ZIXXGPLOISGYSZ-QRWLVFNGSA-N 1 2 360.502 2.905 20 30 FFEDLO O=C(COCC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001110325103 1002088111 /nfs/dbraw/zinc/08/81/11/1002088111.db2.gz UBIXCPUOFMZNDP-AQNXPRMDSA-N 1 2 372.896 2.840 20 30 FFEDLO O=C(COCC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001110325103 1002088125 /nfs/dbraw/zinc/08/81/25/1002088125.db2.gz UBIXCPUOFMZNDP-AQNXPRMDSA-N 1 2 372.896 2.840 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)no1 ZINC001096770195 1016572413 /nfs/dbraw/zinc/57/24/13/1016572413.db2.gz JVAGBWQPSBMOCG-KYJSFNMBSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)no1 ZINC001096770195 1016572424 /nfs/dbraw/zinc/57/24/24/1016572424.db2.gz JVAGBWQPSBMOCG-KYJSFNMBSA-N 1 2 354.385 2.529 20 30 FFEDLO CC(C)n1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)n1 ZINC001097963705 1016579372 /nfs/dbraw/zinc/57/93/72/1016579372.db2.gz SVQUFZKUHVNBRH-XWIAVFTESA-N 1 2 369.494 2.932 20 30 FFEDLO CC(C)n1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)n1 ZINC001097963705 1016579384 /nfs/dbraw/zinc/57/93/84/1016579384.db2.gz SVQUFZKUHVNBRH-XWIAVFTESA-N 1 2 369.494 2.932 20 30 FFEDLO CC(C)c1ccc2ncc(C#N)c(N3CC[NH+](CC[S@@](C)=O)CC3)c2c1 ZINC000774668557 1002359197 /nfs/dbraw/zinc/35/91/97/1002359197.db2.gz ZRBHLSRTCNZMJZ-AREMUKBSSA-N 1 2 370.522 2.730 20 30 FFEDLO CCOC(CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N)OCC ZINC001183838353 1002405266 /nfs/dbraw/zinc/40/52/66/1002405266.db2.gz FYCOMQDPXYJIGN-LJQANCHMSA-N 1 2 373.497 2.818 20 30 FFEDLO CCOC(CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N)OCC ZINC001183838353 1002405279 /nfs/dbraw/zinc/40/52/79/1002405279.db2.gz FYCOMQDPXYJIGN-LJQANCHMSA-N 1 2 373.497 2.818 20 30 FFEDLO C=CC[C@@]1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCCN1C(=O)OC(C)(C)C ZINC000790928692 1002512649 /nfs/dbraw/zinc/51/26/49/1002512649.db2.gz JQAGOZSWSLZKLJ-QRWLVFNGSA-N 1 2 374.485 2.660 20 30 FFEDLO CCC[C@@H](C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ncccc2C#N)C1 ZINC001092313774 1002662690 /nfs/dbraw/zinc/66/26/90/1002662690.db2.gz PZIOPMIHKMGFGM-DJIMGWMZSA-N 1 2 366.469 2.529 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccnc(C(C)C)n2)C1 ZINC001092314329 1002664674 /nfs/dbraw/zinc/66/46/74/1002664674.db2.gz FXQAKYNHWAHSKJ-HZPDHXFCSA-N 1 2 368.485 2.706 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110351903 1002675276 /nfs/dbraw/zinc/67/52/76/1002675276.db2.gz MTGCXINSOKVAIR-ZXNZYJFHSA-N 1 2 372.484 2.960 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110351903 1002675288 /nfs/dbraw/zinc/67/52/88/1002675288.db2.gz MTGCXINSOKVAIR-ZXNZYJFHSA-N 1 2 372.484 2.960 20 30 FFEDLO C#CCCS(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000791411508 1002694834 /nfs/dbraw/zinc/69/48/34/1002694834.db2.gz KGXLTAPVSFUOOH-UHFFFAOYSA-N 1 2 368.502 2.747 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)c1cccs1 ZINC001110371200 1003094436 /nfs/dbraw/zinc/09/44/36/1003094436.db2.gz FQYWCAFBQRAMJU-FPCVCCKLSA-N 1 2 361.511 2.613 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)c1cccs1 ZINC001110371200 1003094448 /nfs/dbraw/zinc/09/44/48/1003094448.db2.gz FQYWCAFBQRAMJU-FPCVCCKLSA-N 1 2 361.511 2.613 20 30 FFEDLO Cc1cccc2[nH+]cc(/C=C3/CCc4c(cnn4-c4ncccn4)C3=O)n21 ZINC000792905550 1003225353 /nfs/dbraw/zinc/22/53/53/1003225353.db2.gz LILPJXWRFNAEAT-UVTDQMKNSA-N 1 2 356.389 2.831 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1C[C@@H](CNc2cc(C)[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC001092641111 1003276050 /nfs/dbraw/zinc/27/60/50/1003276050.db2.gz OVUAGEKKLQEZJQ-AKCHCHLHSA-N 1 2 360.502 2.742 20 30 FFEDLO C[C@@]1(C2CCCC2)CC(=O)N(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793589071 1003431361 /nfs/dbraw/zinc/43/13/61/1003431361.db2.gz GHIPCFJEEYIPEE-WIYYLYMNSA-N 1 2 368.481 2.793 20 30 FFEDLO C[C@@]1(C2CCCC2)CC(=O)N(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793589071 1003431367 /nfs/dbraw/zinc/43/13/67/1003431367.db2.gz GHIPCFJEEYIPEE-WIYYLYMNSA-N 1 2 368.481 2.793 20 30 FFEDLO Cc1[nH+]c[nH]c1CSCCNC(=O)c1cc(-c2cccc(C#N)c2)on1 ZINC001196772133 1003964387 /nfs/dbraw/zinc/96/43/87/1003964387.db2.gz UEYDNVXZZVECQO-UHFFFAOYSA-N 1 2 367.434 2.908 20 30 FFEDLO CC(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001197244547 1004139206 /nfs/dbraw/zinc/13/92/06/1004139206.db2.gz XEAYJKAXHBKRBO-KFKAGJAMSA-N 1 2 362.901 2.535 20 30 FFEDLO CC(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001197244547 1004139214 /nfs/dbraw/zinc/13/92/14/1004139214.db2.gz XEAYJKAXHBKRBO-KFKAGJAMSA-N 1 2 362.901 2.535 20 30 FFEDLO CCc1cc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)ccc1C#N ZINC001197281656 1004161730 /nfs/dbraw/zinc/16/17/30/1004161730.db2.gz IRUNTUORCWLYFH-UHFFFAOYSA-N 1 2 363.461 2.957 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)c2ncc(C)o2)C1 ZINC001130664000 1004347679 /nfs/dbraw/zinc/34/76/79/1004347679.db2.gz AWBIHPFHAOIPPR-SOLBZPMBSA-N 1 2 371.485 2.718 20 30 FFEDLO C[C@H](CCC(C)(C)C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001197812006 1004355127 /nfs/dbraw/zinc/35/51/27/1004355127.db2.gz DXVGGSYPFIUMKO-MISYRCLQSA-N 1 2 356.510 2.662 20 30 FFEDLO C[C@H](CCC(C)(C)C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001197812006 1004355135 /nfs/dbraw/zinc/35/51/35/1004355135.db2.gz DXVGGSYPFIUMKO-MISYRCLQSA-N 1 2 356.510 2.662 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1O ZINC001193304270 1004445097 /nfs/dbraw/zinc/44/50/97/1004445097.db2.gz UIDCREZVRNPKCX-HZPDHXFCSA-N 1 2 370.415 2.969 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1O ZINC001193304270 1004445099 /nfs/dbraw/zinc/44/50/99/1004445099.db2.gz UIDCREZVRNPKCX-HZPDHXFCSA-N 1 2 370.415 2.969 20 30 FFEDLO CC[C@H](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001193319785 1004450699 /nfs/dbraw/zinc/45/06/99/1004450699.db2.gz GBUBBLSBTPNKHZ-PWIZWCRZSA-N 1 2 357.498 2.826 20 30 FFEDLO CC[C@H](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001193319785 1004450704 /nfs/dbraw/zinc/45/07/04/1004450704.db2.gz GBUBBLSBTPNKHZ-PWIZWCRZSA-N 1 2 357.498 2.826 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1F ZINC001110500809 1004462449 /nfs/dbraw/zinc/46/24/49/1004462449.db2.gz MTMNNFHWACYQLB-RGPZOAQRSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1F ZINC001110500809 1004462455 /nfs/dbraw/zinc/46/24/55/1004462455.db2.gz MTMNNFHWACYQLB-RGPZOAQRSA-N 1 2 350.409 2.513 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001110459678 1004487881 /nfs/dbraw/zinc/48/78/81/1004487881.db2.gz WRGXFGTVUVZHLX-AQNXPRMDSA-N 1 2 367.493 2.565 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001110459678 1004487884 /nfs/dbraw/zinc/48/78/84/1004487884.db2.gz WRGXFGTVUVZHLX-AQNXPRMDSA-N 1 2 367.493 2.565 20 30 FFEDLO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)c1cccc(C#N)c1O)[C@@H]2C ZINC001193643743 1004533050 /nfs/dbraw/zinc/53/30/50/1004533050.db2.gz BWKQTWYTWOXCDH-CQSZACIVSA-N 1 2 367.453 2.518 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)c2ncc(C)o2)C1 ZINC001131001511 1004636945 /nfs/dbraw/zinc/63/69/45/1004636945.db2.gz DULAOEQHZAHMFQ-BRWVUGGUSA-N 1 2 371.485 2.718 20 30 FFEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2ccc(-c3cccs3)cc2)CC1 ZINC001194184564 1004670378 /nfs/dbraw/zinc/67/03/78/1004670378.db2.gz LUNKMHRGUJMSAE-UHFFFAOYSA-N 1 2 361.492 2.681 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O)C(C)(C)C ZINC001194137542 1004671404 /nfs/dbraw/zinc/67/14/04/1004671404.db2.gz VHZZSGYLQFBLKE-ZTFGCOKTSA-N 1 2 362.901 2.535 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O)C(C)(C)C ZINC001194137542 1004671409 /nfs/dbraw/zinc/67/14/09/1004671409.db2.gz VHZZSGYLQFBLKE-ZTFGCOKTSA-N 1 2 362.901 2.535 20 30 FFEDLO CCCCC[C@](C)(CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131127850 1004737448 /nfs/dbraw/zinc/73/74/48/1004737448.db2.gz IAYYVAXKTBLTNY-HLIPFELVSA-N 1 2 359.518 2.824 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCCN(C(=O)c2cccc(-c3c[nH+]cn3C)c2)C1 ZINC001194909411 1004842335 /nfs/dbraw/zinc/84/23/35/1004842335.db2.gz MLAOBPCPHQSFFB-QGZVFWFLSA-N 1 2 368.437 2.604 20 30 FFEDLO CCCCCC[C@@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110541355 1005009698 /nfs/dbraw/zinc/00/96/98/1005009698.db2.gz GNRFMJRCMHYOLA-AFYVEPGGSA-N 1 2 373.541 2.596 20 30 FFEDLO CCCCCC[C@@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110541355 1005009702 /nfs/dbraw/zinc/00/97/02/1005009702.db2.gz GNRFMJRCMHYOLA-AFYVEPGGSA-N 1 2 373.541 2.596 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ccc(F)c(F)c3)C[C@H]2O)CC1 ZINC001195923472 1005074195 /nfs/dbraw/zinc/07/41/95/1005074195.db2.gz CEXOWBJBYNFGIY-MORSLUCNSA-N 1 2 364.436 2.934 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ccc(F)c(F)c3)C[C@H]2O)CC1 ZINC001195923472 1005074202 /nfs/dbraw/zinc/07/42/02/1005074202.db2.gz CEXOWBJBYNFGIY-MORSLUCNSA-N 1 2 364.436 2.934 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@@H]1N(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001488231443 1005132663 /nfs/dbraw/zinc/13/26/63/1005132663.db2.gz UTGZUAKFSUOHAK-WYSJICDVSA-N 1 2 370.497 2.755 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@@H]1N(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001488231443 1005132666 /nfs/dbraw/zinc/13/26/66/1005132666.db2.gz UTGZUAKFSUOHAK-WYSJICDVSA-N 1 2 370.497 2.755 20 30 FFEDLO Cc1cccn2c([C@H](C)NS(=O)(=O)c3ccc(C)c(C#N)c3)c[nH+]c12 ZINC001201337834 1005203349 /nfs/dbraw/zinc/20/33/49/1005203349.db2.gz ZJXKEIOTXXBRTN-AWEZNQCLSA-N 1 2 354.435 2.862 20 30 FFEDLO C#C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[C@H]1CCCO1 ZINC000776230942 1005293237 /nfs/dbraw/zinc/29/32/37/1005293237.db2.gz MSYGRLCJRUBTCA-MTQWCTHYSA-N 1 2 364.449 2.592 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cn(CC)nn2)C[C@H]1c1ccccc1 ZINC001488884684 1005377712 /nfs/dbraw/zinc/37/77/12/1005377712.db2.gz GXVNULQQRZWRNB-VQTJNVASSA-N 1 2 367.497 2.739 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cn(CC)nn2)C[C@H]1c1ccccc1 ZINC001488884684 1005377714 /nfs/dbraw/zinc/37/77/14/1005377714.db2.gz GXVNULQQRZWRNB-VQTJNVASSA-N 1 2 367.497 2.739 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)CCC ZINC001110593226 1005383346 /nfs/dbraw/zinc/38/33/46/1005383346.db2.gz OQHFYMOMYVBWOC-AITUJVMLSA-N 1 2 361.530 2.781 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)CCC ZINC001110593226 1005383348 /nfs/dbraw/zinc/38/33/48/1005383348.db2.gz OQHFYMOMYVBWOC-AITUJVMLSA-N 1 2 361.530 2.781 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C4CCC4)n3C)CC[C@@H]2C1 ZINC001489192463 1005427888 /nfs/dbraw/zinc/42/78/88/1005427888.db2.gz ZFIFYWJHMVXQNN-MSOLQXFVSA-N 1 2 371.529 2.719 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C4CCC4)n3C)CC[C@@H]2C1 ZINC001489192463 1005427890 /nfs/dbraw/zinc/42/78/90/1005427890.db2.gz ZFIFYWJHMVXQNN-MSOLQXFVSA-N 1 2 371.529 2.719 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3)o2)[C@@H]1C ZINC001489260501 1005441815 /nfs/dbraw/zinc/44/18/15/1005441815.db2.gz HXGRPRSUKUVUOH-WBVHZDCISA-N 1 2 352.438 2.619 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3)o2)[C@@H]1C ZINC001489260501 1005441816 /nfs/dbraw/zinc/44/18/16/1005441816.db2.gz HXGRPRSUKUVUOH-WBVHZDCISA-N 1 2 352.438 2.619 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001489455466 1005479194 /nfs/dbraw/zinc/47/91/94/1005479194.db2.gz IMBLDPRANGXQRU-JFIYKMOQSA-N 1 2 358.486 2.566 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3cc(C)sc3n1)C2 ZINC001095685579 1016988429 /nfs/dbraw/zinc/98/84/29/1016988429.db2.gz MRJLBMOLPPLVBQ-ILXRZTDVSA-N 1 2 364.902 2.721 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3cc(C)sc3n1)C2 ZINC001095685579 1016988445 /nfs/dbraw/zinc/98/84/45/1016988445.db2.gz MRJLBMOLPPLVBQ-ILXRZTDVSA-N 1 2 364.902 2.721 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncc3[nH]ccc31)C2 ZINC001095688853 1016991804 /nfs/dbraw/zinc/99/18/04/1016991804.db2.gz USHRZTSDKZDFSA-PBEJRMEISA-N 1 2 371.444 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncc3[nH]ccc31)C2 ZINC001095688853 1016991816 /nfs/dbraw/zinc/99/18/16/1016991816.db2.gz USHRZTSDKZDFSA-PBEJRMEISA-N 1 2 371.444 2.970 20 30 FFEDLO CCCCCC[C@](O)(C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1)C(=O)OC ZINC000851882103 1005919877 /nfs/dbraw/zinc/91/98/77/1005919877.db2.gz UYTXMAGKVLNISE-FPOVZHCZSA-N 1 2 374.481 2.806 20 30 FFEDLO CCCCCC[C@](O)(C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)C(=O)OC ZINC000851882103 1005919878 /nfs/dbraw/zinc/91/98/78/1005919878.db2.gz UYTXMAGKVLNISE-FPOVZHCZSA-N 1 2 374.481 2.806 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3csc(-c4ncccn4)n3)C[C@H]21 ZINC001187208694 1005977301 /nfs/dbraw/zinc/97/73/01/1005977301.db2.gz IZRUPLWEWZUCFL-GOEBONIOSA-N 1 2 369.494 2.599 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(-c4ncccn4)n3)C[C@H]21 ZINC001187208694 1005977309 /nfs/dbraw/zinc/97/73/09/1005977309.db2.gz IZRUPLWEWZUCFL-GOEBONIOSA-N 1 2 369.494 2.599 20 30 FFEDLO Cc1nnsc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC#Cc1ccccc1)C2 ZINC001111442428 1017018417 /nfs/dbraw/zinc/01/84/17/1017018417.db2.gz QNCJYBVZMFGABC-KURKYZTESA-N 1 2 366.490 2.510 20 30 FFEDLO Cc1nnsc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC#Cc1ccccc1)C2 ZINC001111442428 1017018429 /nfs/dbraw/zinc/01/84/29/1017018429.db2.gz QNCJYBVZMFGABC-KURKYZTESA-N 1 2 366.490 2.510 20 30 FFEDLO C=C(C)C[C@@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C(=O)OCC ZINC000881755779 1006206304 /nfs/dbraw/zinc/20/63/04/1006206304.db2.gz PLPFYZHKSZKTQU-DLBZAZTESA-N 1 2 355.438 2.946 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000111176730 1006339353 /nfs/dbraw/zinc/33/93/53/1006339353.db2.gz PYKCHUAYFBNEHF-UHFFFAOYSA-N 1 2 367.327 2.990 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1cc(C#N)c(Cl)cn1)C[NH2+]C2(C)C ZINC001170753644 1006366975 /nfs/dbraw/zinc/36/69/75/1006366975.db2.gz BMTQLXXVBJXQHA-UHFFFAOYSA-N 1 2 360.805 2.890 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1nc(Cl)ccc1C#N)C[NH2+]C2(C)C ZINC001170753975 1006373589 /nfs/dbraw/zinc/37/35/89/1006373589.db2.gz IFVRJSJQDAYQSV-UHFFFAOYSA-N 1 2 360.805 2.890 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3nnc(-c4ccco4)o3)C[C@H]21 ZINC001188081003 1006400397 /nfs/dbraw/zinc/40/03/97/1006400397.db2.gz UAEUTCTWTLLHPS-LSDHHAIUSA-N 1 2 356.426 2.719 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(-c4ccco4)o3)C[C@H]21 ZINC001188081003 1006400404 /nfs/dbraw/zinc/40/04/04/1006400404.db2.gz UAEUTCTWTLLHPS-LSDHHAIUSA-N 1 2 356.426 2.719 20 30 FFEDLO CCCc1nc(C)c(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000853658759 1006496285 /nfs/dbraw/zinc/49/62/85/1006496285.db2.gz URNVWXKYRZMNOZ-UHFFFAOYSA-N 1 2 372.469 2.605 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC(C)C)s1)C2 ZINC001110675381 1006599384 /nfs/dbraw/zinc/59/93/84/1006599384.db2.gz UQKZGVAXJIBRJC-NXHRZFHOSA-N 1 2 360.523 2.932 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC(C)C)s1)C2 ZINC001110675381 1006599393 /nfs/dbraw/zinc/59/93/93/1006599393.db2.gz UQKZGVAXJIBRJC-NXHRZFHOSA-N 1 2 360.523 2.932 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110682568 1006781056 /nfs/dbraw/zinc/78/10/56/1006781056.db2.gz WWRUSJSFTQYILW-LNLFQRSKSA-N 1 2 358.486 2.853 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(CC(F)(F)F)n3)C[C@H]21 ZINC001189007234 1006844806 /nfs/dbraw/zinc/84/48/06/1006844806.db2.gz QLHMFGQPEJEAQL-GOEBONIOSA-N 1 2 370.419 2.834 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(CC(F)(F)F)n3)C[C@H]21 ZINC001189007234 1006844813 /nfs/dbraw/zinc/84/48/13/1006844813.db2.gz QLHMFGQPEJEAQL-GOEBONIOSA-N 1 2 370.419 2.834 20 30 FFEDLO C=C(Cl)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110696902 1007096811 /nfs/dbraw/zinc/09/68/11/1007096811.db2.gz QAWZEZSEUACFCP-WCXIOVBPSA-N 1 2 350.894 2.944 20 30 FFEDLO Cc1cc(C(=O)OCC[N@@H+]2CCO[C@H](C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000800160470 1007186617 /nfs/dbraw/zinc/18/66/17/1007186617.db2.gz QWLXEAORJNFHMC-MRXNPFEDSA-N 1 2 367.449 2.843 20 30 FFEDLO Cc1cc(C(=O)OCC[N@H+]2CCO[C@H](C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000800160470 1007186626 /nfs/dbraw/zinc/18/66/26/1007186626.db2.gz QWLXEAORJNFHMC-MRXNPFEDSA-N 1 2 367.449 2.843 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000776800950 1007256529 /nfs/dbraw/zinc/25/65/29/1007256529.db2.gz CUWDUNJBRLRUJD-YJBOKZPZSA-N 1 2 359.470 2.981 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000776800950 1007256538 /nfs/dbraw/zinc/25/65/38/1007256538.db2.gz CUWDUNJBRLRUJD-YJBOKZPZSA-N 1 2 359.470 2.981 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)cc2F)[nH]1 ZINC001095328003 1007317678 /nfs/dbraw/zinc/31/76/78/1007317678.db2.gz QITDZYXGBFNNFR-JLSDUUJJSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)cc2F)[nH]1 ZINC001095328003 1007317690 /nfs/dbraw/zinc/31/76/90/1007317690.db2.gz QITDZYXGBFNNFR-JLSDUUJJSA-N 1 2 356.376 2.700 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)co1 ZINC001095332424 1007521572 /nfs/dbraw/zinc/52/15/72/1007521572.db2.gz NKSHNHFXDCQNMY-WPGHFRTFSA-N 1 2 356.451 2.705 20 30 FFEDLO CCc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)co1 ZINC001095332424 1007521579 /nfs/dbraw/zinc/52/15/79/1007521579.db2.gz NKSHNHFXDCQNMY-WPGHFRTFSA-N 1 2 356.451 2.705 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(-c4ccco4)on3)C[C@H]21 ZINC001190450019 1007649462 /nfs/dbraw/zinc/64/94/62/1007649462.db2.gz MYABAWJLTVEAFE-HLLBOEOZSA-N 1 2 371.437 2.558 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(-c4ccco4)on3)C[C@H]21 ZINC001190450019 1007649469 /nfs/dbraw/zinc/64/94/69/1007649469.db2.gz MYABAWJLTVEAFE-HLLBOEOZSA-N 1 2 371.437 2.558 20 30 FFEDLO C#C[C@H](NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)C1CCOCC1 ZINC000856103516 1007689178 /nfs/dbraw/zinc/68/91/78/1007689178.db2.gz MRFXBMFUGXRMID-IBGZPJMESA-N 1 2 364.449 2.555 20 30 FFEDLO C=CCC1(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)CC1 ZINC001190836347 1007803337 /nfs/dbraw/zinc/80/33/37/1007803337.db2.gz RESPIUDAQFLGHE-INIZCTEOSA-N 1 2 354.903 2.942 20 30 FFEDLO C=CCC1(S(=O)(=O)N[C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)CC1 ZINC001190836347 1007803344 /nfs/dbraw/zinc/80/33/44/1007803344.db2.gz RESPIUDAQFLGHE-INIZCTEOSA-N 1 2 354.903 2.942 20 30 FFEDLO C=CCC1(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001190836371 1007803488 /nfs/dbraw/zinc/80/34/88/1007803488.db2.gz SKPMEUDDCGSKAL-INIZCTEOSA-N 1 2 354.903 2.942 20 30 FFEDLO C=CCC1(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001190836371 1007803497 /nfs/dbraw/zinc/80/34/97/1007803497.db2.gz SKPMEUDDCGSKAL-INIZCTEOSA-N 1 2 354.903 2.942 20 30 FFEDLO C#CC1(NC(=O)c2ccc(C[NH+]3CCN(CC)CC3)cc2)CCCCC1 ZINC001190871373 1007821816 /nfs/dbraw/zinc/82/18/16/1007821816.db2.gz XKRSEOKEIMMZLK-UHFFFAOYSA-N 1 2 353.510 2.890 20 30 FFEDLO CN(Cc1ccccc1)c1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000819420045 1008144721 /nfs/dbraw/zinc/14/47/21/1008144721.db2.gz PKPBERGEUVULPX-NRFANRHFSA-N 1 2 352.482 2.941 20 30 FFEDLO CN(Cc1ccccc1)c1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000819420045 1008144724 /nfs/dbraw/zinc/14/47/24/1008144724.db2.gz PKPBERGEUVULPX-NRFANRHFSA-N 1 2 352.482 2.941 20 30 FFEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858050612 1008289770 /nfs/dbraw/zinc/28/97/70/1008289770.db2.gz RPLQQHROOCZEKS-LJQANCHMSA-N 1 2 362.433 2.922 20 30 FFEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858050612 1008289774 /nfs/dbraw/zinc/28/97/74/1008289774.db2.gz RPLQQHROOCZEKS-LJQANCHMSA-N 1 2 362.433 2.922 20 30 FFEDLO C#C[C@H](CCC)NC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000820641422 1008355233 /nfs/dbraw/zinc/35/52/33/1008355233.db2.gz UQRBSAZSWXJKDN-AZUAARDMSA-N 1 2 357.498 2.721 20 30 FFEDLO C#CC[C@H](COC)Nc1nc(N[C@@H](CC#C)COC)[nH+]c2ccccc21 ZINC000858859200 1008439056 /nfs/dbraw/zinc/43/90/56/1008439056.db2.gz DQFZHUSFFQJURC-CVEARBPZSA-N 1 2 352.438 2.530 20 30 FFEDLO COC(=O)c1ccc(-c2cc(C[NH+]3CCOCC3)ccc2OC)c(C#N)c1 ZINC001206502848 1032317714 /nfs/dbraw/zinc/31/77/14/1032317714.db2.gz NBKXEKUOTJIMEV-UHFFFAOYSA-N 1 2 366.417 2.853 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccccc1Cl)C[C@@H](O)COc1ccccc1C#N ZINC000859070226 1008471505 /nfs/dbraw/zinc/47/15/05/1008471505.db2.gz PHNSKAXISJUFAJ-OAHLLOKOSA-N 1 2 373.840 2.522 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccccc1Cl)C[C@@H](O)COc1ccccc1C#N ZINC000859070226 1008471511 /nfs/dbraw/zinc/47/15/11/1008471511.db2.gz PHNSKAXISJUFAJ-OAHLLOKOSA-N 1 2 373.840 2.522 20 30 FFEDLO Cc1ccccc1OCCON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000116600234 1008483585 /nfs/dbraw/zinc/48/35/85/1008483585.db2.gz COGPWCTVLGBMJE-UHFFFAOYSA-N 1 2 369.465 2.543 20 30 FFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)CCC1 ZINC000886205892 1008599894 /nfs/dbraw/zinc/59/98/94/1008599894.db2.gz BVUULXYADYHNPA-HRCADAONSA-N 1 2 360.458 2.893 20 30 FFEDLO N#CC1(C[C@H](O)C[N@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)CCC1 ZINC000886205892 1008599910 /nfs/dbraw/zinc/59/99/10/1008599910.db2.gz BVUULXYADYHNPA-HRCADAONSA-N 1 2 360.458 2.893 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3cccc(OC)c3)no2)C[C@H]1C ZINC001206544816 1032336755 /nfs/dbraw/zinc/33/67/55/1032336755.db2.gz NWKUEHBMZMWDTJ-RHSMWYFYSA-N 1 2 370.453 2.648 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3cccc(OC)c3)no2)C[C@H]1C ZINC001206544816 1032336761 /nfs/dbraw/zinc/33/67/61/1032336761.db2.gz NWKUEHBMZMWDTJ-RHSMWYFYSA-N 1 2 370.453 2.648 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc(-c3ccc(OC)cc3)s2)C1 ZINC001177759527 1008736135 /nfs/dbraw/zinc/73/61/35/1008736135.db2.gz RZJBLEJIDMZROZ-HNNXBMFYSA-N 1 2 355.463 2.646 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(-c3ccc(OC)cc3)s2)C1 ZINC001177759527 1008736146 /nfs/dbraw/zinc/73/61/46/1008736146.db2.gz RZJBLEJIDMZROZ-HNNXBMFYSA-N 1 2 355.463 2.646 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC(C)C)CCCC1 ZINC001110214429 1008769401 /nfs/dbraw/zinc/76/94/01/1008769401.db2.gz IHOUCQZROCCPST-SQNIBIBYSA-N 1 2 361.530 2.617 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC(C)C)CCCC1 ZINC001110214429 1008769411 /nfs/dbraw/zinc/76/94/11/1008769411.db2.gz IHOUCQZROCCPST-SQNIBIBYSA-N 1 2 361.530 2.617 20 30 FFEDLO N#C[C@@H](Cc1cccs1)C(=O)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001177909573 1008781488 /nfs/dbraw/zinc/78/14/88/1008781488.db2.gz NZCJLWOFPUZNKX-APWZRJJASA-N 1 2 351.475 2.872 20 30 FFEDLO N#C[C@@H](Cc1cccs1)C(=O)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001177909573 1008781500 /nfs/dbraw/zinc/78/15/00/1008781500.db2.gz NZCJLWOFPUZNKX-APWZRJJASA-N 1 2 351.475 2.872 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)ns1 ZINC001095359388 1008966464 /nfs/dbraw/zinc/96/64/64/1008966464.db2.gz HCPAUXBXTNIJMB-AOIWGVFYSA-N 1 2 351.475 2.838 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)ns1 ZINC001095359388 1008966471 /nfs/dbraw/zinc/96/64/71/1008966471.db2.gz HCPAUXBXTNIJMB-AOIWGVFYSA-N 1 2 351.475 2.838 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@]3(C#N)CC34CCCC4)C2)c1 ZINC000826552029 1009075521 /nfs/dbraw/zinc/07/55/21/1009075521.db2.gz VHCWALRMWGZOGZ-UGKGYDQZSA-N 1 2 367.493 2.786 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@]3(C#N)CC34CCCC4)C2)c1 ZINC000826552029 1009075535 /nfs/dbraw/zinc/07/55/35/1009075535.db2.gz VHCWALRMWGZOGZ-UGKGYDQZSA-N 1 2 367.493 2.786 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000823469470 1009079187 /nfs/dbraw/zinc/07/91/87/1009079187.db2.gz WIGIXEJQFBDNCW-RBYWHNRPSA-N 1 2 365.481 2.796 20 30 FFEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000823469470 1009079207 /nfs/dbraw/zinc/07/92/07/1009079207.db2.gz WIGIXEJQFBDNCW-RBYWHNRPSA-N 1 2 365.481 2.796 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C2CC2)n1 ZINC001092954757 1009429607 /nfs/dbraw/zinc/42/96/07/1009429607.db2.gz HMVRWXDSQXPHSV-KURKYZTESA-N 1 2 370.497 2.871 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C(C)C)n1 ZINC001092983912 1009511728 /nfs/dbraw/zinc/51/17/28/1009511728.db2.gz KRZJOXCOMOYLFA-ZACQAIPSSA-N 1 2 358.486 2.727 20 30 FFEDLO C[NH+](C)Cc1nc(CSCCNC(=O)Cc2ccccc2C#N)cs1 ZINC001181804306 1010251784 /nfs/dbraw/zinc/25/17/84/1010251784.db2.gz MWRVLVKMYOEGPZ-UHFFFAOYSA-N 1 2 374.535 2.668 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccs1)C2 ZINC001110251393 1010389920 /nfs/dbraw/zinc/38/99/20/1010389920.db2.gz WOVUXUSRABWOQF-OAGGEKHMSA-N 1 2 361.511 2.508 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccs1)C2 ZINC001110251393 1010389923 /nfs/dbraw/zinc/38/99/23/1010389923.db2.gz WOVUXUSRABWOQF-OAGGEKHMSA-N 1 2 361.511 2.508 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)nc1-c1ccco1)C2 ZINC001095399403 1010444734 /nfs/dbraw/zinc/44/47/34/1010444734.db2.gz AWSVLSHTHRNUFZ-SNPRPXQTSA-N 1 2 360.845 2.768 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)nc1-c1ccco1)C2 ZINC001095399403 1010444739 /nfs/dbraw/zinc/44/47/39/1010444739.db2.gz AWSVLSHTHRNUFZ-SNPRPXQTSA-N 1 2 360.845 2.768 20 30 FFEDLO N#Cc1c[nH]c2cc(C(=O)NCc3ccccc3C[NH+]3CCOCC3)ccc12 ZINC000864573772 1010512462 /nfs/dbraw/zinc/51/24/62/1010512462.db2.gz QORNNUBJQVCHKM-UHFFFAOYSA-N 1 2 374.444 2.802 20 30 FFEDLO N#Cc1c[nH]c2cc(C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)ccc12 ZINC000864614089 1010528468 /nfs/dbraw/zinc/52/84/68/1010528468.db2.gz POCLNTDUXNQGLZ-IBGZPJMESA-N 1 2 374.444 2.670 20 30 FFEDLO N#Cc1c[nH]c2cc(C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)ccc12 ZINC000864614089 1010528482 /nfs/dbraw/zinc/52/84/82/1010528482.db2.gz POCLNTDUXNQGLZ-IBGZPJMESA-N 1 2 374.444 2.670 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C(C)C)C[C@H]1C ZINC001206939522 1032513031 /nfs/dbraw/zinc/51/30/31/1032513031.db2.gz JICVPSNWAMRKRK-YLJYHZDGSA-N 1 2 369.509 2.844 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C(C)C)C[C@H]1C ZINC001206939522 1032513034 /nfs/dbraw/zinc/51/30/34/1032513034.db2.gz JICVPSNWAMRKRK-YLJYHZDGSA-N 1 2 369.509 2.844 20 30 FFEDLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)c1 ZINC001206939596 1032513206 /nfs/dbraw/zinc/51/32/06/1032513206.db2.gz MNVMKRWZPQIGPE-QWFCFKBJSA-N 1 2 369.509 2.726 20 30 FFEDLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)c1 ZINC001206939596 1032513207 /nfs/dbraw/zinc/51/32/07/1032513207.db2.gz MNVMKRWZPQIGPE-QWFCFKBJSA-N 1 2 369.509 2.726 20 30 FFEDLO CCc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cccc(C#N)c3O)C2)ncn1 ZINC000866296073 1010972370 /nfs/dbraw/zinc/97/23/70/1010972370.db2.gz OLQQLFXVCFTFSB-PBHICJAKSA-N 1 2 351.454 2.936 20 30 FFEDLO C[C@@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1cccc(C#N)c1O ZINC000866398823 1010987432 /nfs/dbraw/zinc/98/74/32/1010987432.db2.gz ROQOOVDQORUPNN-UKRRQHHQSA-N 1 2 361.442 2.550 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F)C1CCC1 ZINC001110868796 1011284800 /nfs/dbraw/zinc/28/48/00/1011284800.db2.gz RGJOINDBOCCBBX-LMCOJAPRSA-N 1 2 371.456 2.734 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F)C1CCC1 ZINC001110868796 1011284813 /nfs/dbraw/zinc/28/48/13/1011284813.db2.gz RGJOINDBOCCBBX-LMCOJAPRSA-N 1 2 371.456 2.734 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000644967329 1011289269 /nfs/dbraw/zinc/28/92/69/1011289269.db2.gz WMXBSRHTPNLENR-BZSNNMDCSA-N 1 2 354.454 2.594 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC23CCCC3)cc1C#N ZINC001274361467 1011396780 /nfs/dbraw/zinc/39/67/80/1011396780.db2.gz GXBMFZKDXLTYNN-ZIFCJYIRSA-N 1 2 352.482 2.652 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC23CCCC3)cc1C#N ZINC001274361467 1011396786 /nfs/dbraw/zinc/39/67/86/1011396786.db2.gz GXBMFZKDXLTYNN-ZIFCJYIRSA-N 1 2 352.482 2.652 20 30 FFEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)C[C@H](C#N)c3c(Cl)cccc3Cl)C[C@@H]21 ZINC001274445179 1011447518 /nfs/dbraw/zinc/44/75/18/1011447518.db2.gz OLRCCDNFUFYYAP-UGFHNGPFSA-N 1 2 368.264 2.532 20 30 FFEDLO C[N@H+]1CCO[C@H]2CN(C(=O)C[C@H](C#N)c3c(Cl)cccc3Cl)C[C@@H]21 ZINC001274445179 1011447524 /nfs/dbraw/zinc/44/75/24/1011447524.db2.gz OLRCCDNFUFYYAP-UGFHNGPFSA-N 1 2 368.264 2.532 20 30 FFEDLO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CC2(C1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001172314672 1011743118 /nfs/dbraw/zinc/74/31/18/1011743118.db2.gz LEDWNZKCGRRTNA-MRXNPFEDSA-N 1 2 371.481 2.811 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3ncc(Cl)nc3Cl)CC2)C1=O ZINC001275026989 1011827876 /nfs/dbraw/zinc/82/78/76/1011827876.db2.gz RCPUYHWTCQMXNI-KRWDZBQOSA-N 1 2 367.280 2.621 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+](Cc3ncc(Cl)nc3Cl)CC2)C1=O ZINC001275026989 1011827889 /nfs/dbraw/zinc/82/78/89/1011827889.db2.gz RCPUYHWTCQMXNI-KRWDZBQOSA-N 1 2 367.280 2.621 20 30 FFEDLO N#Cc1cnnc(-c2ccccc2)c1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212667285 1011839809 /nfs/dbraw/zinc/83/98/09/1011839809.db2.gz KHKPSVARYCPQKW-UHFFFAOYSA-N 1 2 357.417 2.935 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)cc3c2OCOC3)C1=O ZINC001275118440 1011962004 /nfs/dbraw/zinc/96/20/04/1011962004.db2.gz SPDQFLYNZJVLSH-HXUWFJFHSA-N 1 2 360.429 2.835 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cc(F)cc3c2OCOC3)C1=O ZINC001275118440 1011962013 /nfs/dbraw/zinc/96/20/13/1011962013.db2.gz SPDQFLYNZJVLSH-HXUWFJFHSA-N 1 2 360.429 2.835 20 30 FFEDLO C[C@H](Cc1c(F)cccc1Cl)[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001172858357 1012069977 /nfs/dbraw/zinc/06/99/77/1012069977.db2.gz USLBEBDNNBUPBP-CYBMUJFWSA-N 1 2 359.836 2.894 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c(Cl)cccc1Cl)C2 ZINC001275207702 1012077893 /nfs/dbraw/zinc/07/78/93/1012077893.db2.gz YHKUZQSPEACUNC-SFHVURJKSA-N 1 2 367.276 2.678 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(Cl)cccc1Cl)C2 ZINC001275207702 1012077907 /nfs/dbraw/zinc/07/79/07/1012077907.db2.gz YHKUZQSPEACUNC-SFHVURJKSA-N 1 2 367.276 2.678 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Br)ccn1 ZINC001275283101 1012198761 /nfs/dbraw/zinc/19/87/61/1012198761.db2.gz ZSMLAGBGHLHCOT-KRWDZBQOSA-N 1 2 364.287 2.987 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Br)ccn1 ZINC001275283101 1012198768 /nfs/dbraw/zinc/19/87/68/1012198768.db2.gz ZSMLAGBGHLHCOT-KRWDZBQOSA-N 1 2 364.287 2.987 20 30 FFEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)OCC1=O ZINC001275282365 1012203977 /nfs/dbraw/zinc/20/39/77/1012203977.db2.gz PQESIGPOIAYXDM-QGZVFWFLSA-N 1 2 355.265 2.983 20 30 FFEDLO C=CCN1C[C@]2(CC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)OCC1=O ZINC001275282365 1012203990 /nfs/dbraw/zinc/20/39/90/1012203990.db2.gz PQESIGPOIAYXDM-QGZVFWFLSA-N 1 2 355.265 2.983 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)on1 ZINC001095155635 1012565602 /nfs/dbraw/zinc/56/56/02/1012565602.db2.gz LOALZZWUWCLCGJ-SQNIBIBYSA-N 1 2 353.397 2.509 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)on1 ZINC001095155635 1012565608 /nfs/dbraw/zinc/56/56/08/1012565608.db2.gz LOALZZWUWCLCGJ-SQNIBIBYSA-N 1 2 353.397 2.509 20 30 FFEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3nc(C4CC4)no3)c2)n1 ZINC000123435608 1012670708 /nfs/dbraw/zinc/67/07/08/1012670708.db2.gz GTIQBCDUTMAARF-UHFFFAOYSA-N 1 2 366.425 2.646 20 30 FFEDLO Cc1ccc(C#N)c(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc4c[nH+]ccc4[nH]2)C3)n1 ZINC001055249152 1017212399 /nfs/dbraw/zinc/21/23/99/1017212399.db2.gz REFAHLCRNFKCSR-AYBZRNKSSA-N 1 2 372.432 2.678 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001051136649 1017237194 /nfs/dbraw/zinc/23/71/94/1017237194.db2.gz ZJTRAFPXWBBOAK-BGTYHANMSA-N 1 2 370.497 2.727 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ccc2cc[nH]c2n1 ZINC001097267961 1017279050 /nfs/dbraw/zinc/27/90/50/1017279050.db2.gz AOAIBKRSYTZSSA-NRSPTQNISA-N 1 2 370.456 2.950 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ccc2cc[nH]c2n1 ZINC001097267961 1017279056 /nfs/dbraw/zinc/27/90/56/1017279056.db2.gz AOAIBKRSYTZSSA-NRSPTQNISA-N 1 2 370.456 2.950 20 30 FFEDLO CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2ccncc2C#N)cn1 ZINC000828421879 1032697040 /nfs/dbraw/zinc/69/70/40/1032697040.db2.gz SCMONYBEFWHUBN-NRFANRHFSA-N 1 2 361.449 2.905 20 30 FFEDLO CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2ccncc2C#N)cn1 ZINC000828421879 1032697050 /nfs/dbraw/zinc/69/70/50/1032697050.db2.gz SCMONYBEFWHUBN-NRFANRHFSA-N 1 2 361.449 2.905 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCOc3cccc(OC)c3)[C@@H]2C1 ZINC001222050874 1032699337 /nfs/dbraw/zinc/69/93/37/1032699337.db2.gz IAOLSEVJSKOZKB-CRAIPNDOSA-N 1 2 364.873 2.749 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCOc3cccc(OC)c3)[C@@H]2C1 ZINC001222050874 1032699340 /nfs/dbraw/zinc/69/93/40/1032699340.db2.gz IAOLSEVJSKOZKB-CRAIPNDOSA-N 1 2 364.873 2.749 20 30 FFEDLO C=CCCC[C@H]1NC(=O)N(C2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1=O ZINC000924710441 1017438108 /nfs/dbraw/zinc/43/81/08/1017438108.db2.gz LBBHIFQIFFVLMI-LJQANCHMSA-N 1 2 370.497 2.998 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Br)c[nH]1)C2 ZINC001097472193 1017516681 /nfs/dbraw/zinc/51/66/81/1017516681.db2.gz XWAPFGAGLNYRSH-WZRBSPASSA-N 1 2 358.667 2.865 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Br)c[nH]1)C2 ZINC001097472193 1017516694 /nfs/dbraw/zinc/51/66/94/1017516694.db2.gz XWAPFGAGLNYRSH-WZRBSPASSA-N 1 2 358.667 2.865 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)N(C)c1ccccc1 ZINC001110899462 1017625704 /nfs/dbraw/zinc/62/57/04/1017625704.db2.gz CUOYJOOQNPNMSA-OWYHZJEWSA-N 1 2 369.509 2.972 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)N(C)c1ccccc1 ZINC001110899462 1017625711 /nfs/dbraw/zinc/62/57/11/1017625711.db2.gz CUOYJOOQNPNMSA-OWYHZJEWSA-N 1 2 369.509 2.972 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C)n(C)n4)C[C@H]32)CCCCC1 ZINC001222063067 1032723100 /nfs/dbraw/zinc/72/31/00/1032723100.db2.gz UNTLZOOMRGCFGM-UYAOXDASSA-N 1 2 368.525 2.735 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C)n(C)n4)C[C@H]32)CCCCC1 ZINC001222063067 1032723112 /nfs/dbraw/zinc/72/31/12/1032723112.db2.gz UNTLZOOMRGCFGM-UYAOXDASSA-N 1 2 368.525 2.735 20 30 FFEDLO COC1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CC1 ZINC001097748339 1017904226 /nfs/dbraw/zinc/90/42/26/1017904226.db2.gz XELXJLBFBBCMSI-ZZPNLPSNSA-N 1 2 367.493 2.985 20 30 FFEDLO COC1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CC1 ZINC001097748339 1017904231 /nfs/dbraw/zinc/90/42/31/1017904231.db2.gz XELXJLBFBBCMSI-ZZPNLPSNSA-N 1 2 367.493 2.985 20 30 FFEDLO CCc1ncoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001097812634 1017976145 /nfs/dbraw/zinc/97/61/45/1017976145.db2.gz UJRIUEQOIFEZHX-OLMNPRSZSA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1ncoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001097812634 1017976153 /nfs/dbraw/zinc/97/61/53/1017976153.db2.gz UJRIUEQOIFEZHX-OLMNPRSZSA-N 1 2 368.412 2.783 20 30 FFEDLO CC[C@@H](C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cccc(F)c2C#N)C1 ZINC001052723738 1018057158 /nfs/dbraw/zinc/05/71/58/1018057158.db2.gz XYIIMITXGTUTKI-DDUZABMNSA-N 1 2 369.444 2.883 20 30 FFEDLO CC[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1cccc(C#N)c1O ZINC000926365456 1018092917 /nfs/dbraw/zinc/09/29/17/1018092917.db2.gz XABRZCYKOQVMCC-IBGZPJMESA-N 1 2 372.490 2.962 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001217475864 1032748199 /nfs/dbraw/zinc/74/81/99/1032748199.db2.gz JVVBUYKVESJVSO-RBUKOAKNSA-N 1 2 358.869 2.569 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001217475864 1032748218 /nfs/dbraw/zinc/74/82/18/1032748218.db2.gz JVVBUYKVESJVSO-RBUKOAKNSA-N 1 2 358.869 2.569 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1)O2 ZINC001053676103 1018412363 /nfs/dbraw/zinc/41/23/63/1018412363.db2.gz XIZVOPGWKCKBEN-HSALFYBXSA-N 1 2 370.493 2.724 20 30 FFEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927773767 1018662251 /nfs/dbraw/zinc/66/22/51/1018662251.db2.gz QCPRJWXPURHUSR-UHFFFAOYSA-N 1 2 369.450 2.699 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC(C)(C)C ZINC001110933110 1018706101 /nfs/dbraw/zinc/70/61/01/1018706101.db2.gz GLFQLABYKCNFBH-MLHJIOFPSA-N 1 2 363.546 2.863 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC(C)(C)C ZINC001110933110 1018706113 /nfs/dbraw/zinc/70/61/13/1018706113.db2.gz GLFQLABYKCNFBH-MLHJIOFPSA-N 1 2 363.546 2.863 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3cccc(C)c3n1)C2 ZINC001096169870 1019040259 /nfs/dbraw/zinc/04/02/59/1019040259.db2.gz OQKZBOTXRJCHNC-IKGGRYGDSA-N 1 2 358.873 2.659 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3cccc(C)c3n1)C2 ZINC001096169870 1019040275 /nfs/dbraw/zinc/04/02/75/1019040275.db2.gz OQKZBOTXRJCHNC-IKGGRYGDSA-N 1 2 358.873 2.659 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001042741221 1019131258 /nfs/dbraw/zinc/13/12/58/1019131258.db2.gz NPKWDWYSFFQLTA-RTWAWAEBSA-N 1 2 354.494 2.799 20 30 FFEDLO C[C@H](C#N)OCCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000801655428 1019217537 /nfs/dbraw/zinc/21/75/37/1019217537.db2.gz ZEZSCCBWPRHYNS-MRXNPFEDSA-N 1 2 371.510 2.943 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001068592422 1019312367 /nfs/dbraw/zinc/31/23/67/1019312367.db2.gz UBGDLVJXWOCBOO-VQHPVUNQSA-N 1 2 358.486 2.806 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)c1cccnn1 ZINC001096224793 1019461645 /nfs/dbraw/zinc/46/16/45/1019461645.db2.gz FVCQYJXPKHPBJG-NEWSRXKRSA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)c1cccnn1 ZINC001096224793 1019461653 /nfs/dbraw/zinc/46/16/53/1019461653.db2.gz FVCQYJXPKHPBJG-NEWSRXKRSA-N 1 2 366.852 2.517 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC(Nc2cccc(F)c2C#N)C1 ZINC001069801444 1019613530 /nfs/dbraw/zinc/61/35/30/1019613530.db2.gz CQZCQPUHCUCYMW-NWINJMCUSA-N 1 2 353.401 2.625 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC(Nc2cccc(F)c2C#N)C1 ZINC001069801444 1019613536 /nfs/dbraw/zinc/61/35/36/1019613536.db2.gz CQZCQPUHCUCYMW-NWINJMCUSA-N 1 2 353.401 2.625 20 30 FFEDLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)CCCOC1 ZINC001096252706 1019624949 /nfs/dbraw/zinc/62/49/49/1019624949.db2.gz VVBWORUYASWYLZ-SAJDGTNDSA-N 1 2 371.456 2.736 20 30 FFEDLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)CCCOC1 ZINC001096252706 1019624958 /nfs/dbraw/zinc/62/49/58/1019624958.db2.gz VVBWORUYASWYLZ-SAJDGTNDSA-N 1 2 371.456 2.736 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc(-c2ccccc2)o1 ZINC000929826844 1019674149 /nfs/dbraw/zinc/67/41/49/1019674149.db2.gz YNEHBJUTSMDRDE-HNNXBMFYSA-N 1 2 360.421 2.714 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc(-c2ccccc2)o1 ZINC000929826844 1019674161 /nfs/dbraw/zinc/67/41/61/1019674161.db2.gz YNEHBJUTSMDRDE-HNNXBMFYSA-N 1 2 360.421 2.714 20 30 FFEDLO N#CCCn1ncc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)c1-c1ccccc1 ZINC000802238772 1019922983 /nfs/dbraw/zinc/92/29/83/1019922983.db2.gz HTTRSNCUSHAKSZ-INIZCTEOSA-N 1 2 356.401 2.664 20 30 FFEDLO N#CCCn1ncc(C(=O)O[C@H]2CC[N@H+](CCF)C2)c1-c1ccccc1 ZINC000802238772 1019922995 /nfs/dbraw/zinc/92/29/95/1019922995.db2.gz HTTRSNCUSHAKSZ-INIZCTEOSA-N 1 2 356.401 2.664 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1Cc3ccncc3C1)C2 ZINC001096019625 1019941335 /nfs/dbraw/zinc/94/13/35/1019941335.db2.gz PXJHZVUXNZYDQG-YJMBLLCNSA-N 1 2 372.472 2.590 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1Cc3ccncc3C1)C2 ZINC001096019625 1019941340 /nfs/dbraw/zinc/94/13/40/1019941340.db2.gz PXJHZVUXNZYDQG-YJMBLLCNSA-N 1 2 372.472 2.590 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)C(C)C ZINC001110985328 1019952724 /nfs/dbraw/zinc/95/27/24/1019952724.db2.gz VRMNFMHSBBXSFK-VXIBKDFQSA-N 1 2 370.559 2.524 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)C(C)C ZINC001110985328 1019952731 /nfs/dbraw/zinc/95/27/31/1019952731.db2.gz VRMNFMHSBBXSFK-VXIBKDFQSA-N 1 2 370.559 2.524 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCc2ccccc2)CC1 ZINC000802271130 1019953850 /nfs/dbraw/zinc/95/38/50/1019953850.db2.gz VPHAOGVPTTUNPS-UHFFFAOYSA-N 1 2 365.525 2.865 20 30 FFEDLO NC(=[NH+]OC[C@H]1C[C@]12CCOC2)c1ccc(OCc2cccnc2)cc1 ZINC000902227331 1019989732 /nfs/dbraw/zinc/98/97/32/1019989732.db2.gz QYDSCXDUQAACLB-XLIONFOSSA-N 1 2 353.422 2.724 20 30 FFEDLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](CNc2cccc(F)c2C#N)C1 ZINC001048229044 1020020183 /nfs/dbraw/zinc/02/01/83/1020020183.db2.gz FAHGQVGYIDFDTH-KGLIPLIRSA-N 1 2 355.417 2.702 20 30 FFEDLO Cc1ccc(NC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c(N(C)C)[nH+]1 ZINC000930506234 1020062376 /nfs/dbraw/zinc/06/23/76/1020062376.db2.gz SQBHKBACMJFBCN-SFHVURJKSA-N 1 2 365.437 2.933 20 30 FFEDLO C[C@@]1(C#N)CN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCO1 ZINC000930555368 1020080794 /nfs/dbraw/zinc/08/07/94/1020080794.db2.gz MQCLUUTUFGNIBP-HXUWFJFHSA-N 1 2 363.421 2.748 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110995986 1020161230 /nfs/dbraw/zinc/16/12/30/1020161230.db2.gz ARWFPQVRTPBJOP-LMCOJAPRSA-N 1 2 373.472 2.980 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110995986 1020161235 /nfs/dbraw/zinc/16/12/35/1020161235.db2.gz ARWFPQVRTPBJOP-LMCOJAPRSA-N 1 2 373.472 2.980 20 30 FFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ncccc1C#N ZINC001048376341 1020180656 /nfs/dbraw/zinc/18/06/56/1020180656.db2.gz PDZMAVQOJHSNGX-VKJFTORMSA-N 1 2 366.469 2.594 20 30 FFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ncccc1C#N ZINC001048376341 1020180660 /nfs/dbraw/zinc/18/06/60/1020180660.db2.gz PDZMAVQOJHSNGX-VKJFTORMSA-N 1 2 366.469 2.594 20 30 FFEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@@H](O)CCOCc2ccccc2)C1 ZINC000930923468 1020241009 /nfs/dbraw/zinc/24/10/09/1020241009.db2.gz LTTDJLFBRLEODU-RBBKRZOGSA-N 1 2 365.477 2.907 20 30 FFEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@@H](O)CCOCc2ccccc2)C1 ZINC000930923468 1020241014 /nfs/dbraw/zinc/24/10/14/1020241014.db2.gz LTTDJLFBRLEODU-RBBKRZOGSA-N 1 2 365.477 2.907 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CCCCC2)C1 ZINC001111001831 1020290259 /nfs/dbraw/zinc/29/02/59/1020290259.db2.gz KOEDPRIZSKLSJQ-QRVBRYPASA-N 1 2 373.541 2.761 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CCCCC2)C1 ZINC001111001831 1020290266 /nfs/dbraw/zinc/29/02/66/1020290266.db2.gz KOEDPRIZSKLSJQ-QRVBRYPASA-N 1 2 373.541 2.761 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(Cl)no2)C3)cc1F ZINC001096398781 1020401203 /nfs/dbraw/zinc/40/12/03/1020401203.db2.gz GNAVBNVFAOXASJ-SNPRPXQTSA-N 1 2 374.803 2.874 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(Cl)no2)C3)cc1F ZINC001096398781 1020401208 /nfs/dbraw/zinc/40/12/08/1020401208.db2.gz GNAVBNVFAOXASJ-SNPRPXQTSA-N 1 2 374.803 2.874 20 30 FFEDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cccc(C#CCO)c1 ZINC000900616307 1020548645 /nfs/dbraw/zinc/54/86/45/1020548645.db2.gz HUVAJEYYRLMMTG-UHFFFAOYSA-N 1 2 363.461 2.736 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC001046327016 1020588637 /nfs/dbraw/zinc/58/86/37/1020588637.db2.gz DBNQBGUUDKZGFN-FUHIMQAGSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC001046327016 1020588645 /nfs/dbraw/zinc/58/86/45/1020588645.db2.gz DBNQBGUUDKZGFN-FUHIMQAGSA-N 1 2 359.470 2.614 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001073662598 1020604499 /nfs/dbraw/zinc/60/44/99/1020604499.db2.gz NWVWBNWIVAOLJN-HRCADAONSA-N 1 2 354.903 2.811 20 30 FFEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001073662598 1020604502 /nfs/dbraw/zinc/60/45/02/1020604502.db2.gz NWVWBNWIVAOLJN-HRCADAONSA-N 1 2 354.903 2.811 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001073905368 1020624094 /nfs/dbraw/zinc/62/40/94/1020624094.db2.gz CYDQZZHXVCCNNX-FGTMMUONSA-N 1 2 366.864 2.889 20 30 FFEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001073905368 1020624099 /nfs/dbraw/zinc/62/40/99/1020624099.db2.gz CYDQZZHXVCCNNX-FGTMMUONSA-N 1 2 366.864 2.889 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001098318831 1020818874 /nfs/dbraw/zinc/81/88/74/1020818874.db2.gz ZWNNRBLJNJBWLT-HFTRVMKXSA-N 1 2 358.486 2.950 20 30 FFEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933626227 1021052468 /nfs/dbraw/zinc/05/24/68/1021052468.db2.gz XEJVINWEOSCLPF-KRWDZBQOSA-N 1 2 366.446 2.894 20 30 FFEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933626227 1021052473 /nfs/dbraw/zinc/05/24/73/1021052473.db2.gz XEJVINWEOSCLPF-KRWDZBQOSA-N 1 2 366.446 2.894 20 30 FFEDLO C[C@H](C(=O)N1CCSc2ccccc21)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933651228 1021058945 /nfs/dbraw/zinc/05/89/45/1021058945.db2.gz YQOHJNAEWPZVMZ-OAHLLOKOSA-N 1 2 372.490 2.852 20 30 FFEDLO CC(C)[C@H](NC(=O)C[NH+]1CCC2(CC1)CC(=O)C=CO2)c1ccc(F)cc1 ZINC000933654173 1021060325 /nfs/dbraw/zinc/06/03/25/1021060325.db2.gz PVAJRXIFITZXDH-FQEVSTJZSA-N 1 2 374.456 2.977 20 30 FFEDLO C[N@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)Cc1cc(C#N)cs1 ZINC000933776792 1021088182 /nfs/dbraw/zinc/08/81/82/1021088182.db2.gz AHQXIDMYIROFET-MRXNPFEDSA-N 1 2 368.506 2.694 20 30 FFEDLO C[N@@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)Cc1cc(C#N)cs1 ZINC000933776792 1021088189 /nfs/dbraw/zinc/08/81/89/1021088189.db2.gz AHQXIDMYIROFET-MRXNPFEDSA-N 1 2 368.506 2.694 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2n[nH]c3c2CCCC3)C1 ZINC001098835701 1021214338 /nfs/dbraw/zinc/21/43/38/1021214338.db2.gz FPOYNRFXXREDLI-LIRRHRJNSA-N 1 2 362.905 2.554 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2n[nH]c3c2CCCC3)C1 ZINC001098835701 1021214348 /nfs/dbraw/zinc/21/43/48/1021214348.db2.gz FPOYNRFXXREDLI-LIRRHRJNSA-N 1 2 362.905 2.554 20 30 FFEDLO C=CC1(CC(=O)N(C)CCCn2cc[nH+]c2)CN(C(=O)OC(C)(C)C)C1 ZINC000934913294 1021466552 /nfs/dbraw/zinc/46/65/52/1021466552.db2.gz HZONEOGYSWWTHW-UHFFFAOYSA-N 1 2 362.474 2.545 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(NC(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)CCC[C@@H]23)C1 ZINC001014324074 1021780950 /nfs/dbraw/zinc/78/09/50/1021780950.db2.gz HVWUNNJGKKRDCH-SZUSHISOSA-N 1 2 368.481 2.509 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(NC(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)CCC[C@@H]23)C1 ZINC001014324074 1021780963 /nfs/dbraw/zinc/78/09/63/1021780963.db2.gz HVWUNNJGKKRDCH-SZUSHISOSA-N 1 2 368.481 2.509 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC001014324573 1021782276 /nfs/dbraw/zinc/78/22/76/1021782276.db2.gz KYNTZYUPOJOKDB-ODEMNLNRSA-N 1 2 370.497 2.755 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC001014324573 1021782287 /nfs/dbraw/zinc/78/22/87/1021782287.db2.gz KYNTZYUPOJOKDB-ODEMNLNRSA-N 1 2 370.497 2.755 20 30 FFEDLO C#CCCOc1ccc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)cc1 ZINC001117752562 1021860031 /nfs/dbraw/zinc/86/00/31/1021860031.db2.gz JJBRWABHLKDOAN-UHFFFAOYSA-N 1 2 350.409 2.890 20 30 FFEDLO C#CCCOc1ccc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cc1 ZINC001117752562 1021860045 /nfs/dbraw/zinc/86/00/45/1021860045.db2.gz JJBRWABHLKDOAN-UHFFFAOYSA-N 1 2 350.409 2.890 20 30 FFEDLO COc1cc(C#N)ccc1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000935911419 1021930778 /nfs/dbraw/zinc/93/07/78/1021930778.db2.gz GLOPVIFFPQROIU-UHFFFAOYSA-N 1 2 370.478 2.801 20 30 FFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCc2ccc(CC#N)cc2)C1 ZINC001118127900 1022080463 /nfs/dbraw/zinc/08/04/63/1022080463.db2.gz SOMMYFYETRRLKZ-GOSISDBHSA-N 1 2 351.454 2.650 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)CO[C@H](C)CC)C[C@@H]21 ZINC001222534334 1033034358 /nfs/dbraw/zinc/03/43/58/1033034358.db2.gz LBAPYIUDTFFHFU-KFWWJZLASA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)CO[C@H](C)CC)C[C@@H]21 ZINC001222534334 1033034365 /nfs/dbraw/zinc/03/43/65/1033034365.db2.gz LBAPYIUDTFFHFU-KFWWJZLASA-N 1 2 359.308 2.633 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001018865802 1022356748 /nfs/dbraw/zinc/35/67/48/1022356748.db2.gz SIHRMKYWMZGMJE-XHSDSOJGSA-N 1 2 361.486 2.644 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039919533 1022785153 /nfs/dbraw/zinc/78/51/53/1022785153.db2.gz CYNAICJQTNFTAT-XCLNPWKQSA-N 1 2 353.466 2.549 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039919533 1022785164 /nfs/dbraw/zinc/78/51/64/1022785164.db2.gz CYNAICJQTNFTAT-XCLNPWKQSA-N 1 2 353.466 2.549 20 30 FFEDLO C[C@H]1[C@@H](Nc2cccc(F)c2C#N)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001040279598 1022818296 /nfs/dbraw/zinc/81/82/96/1022818296.db2.gz VQXQZJGKUFNHET-VLXAULBPSA-N 1 2 353.401 2.625 20 30 FFEDLO C[C@H]1[C@@H](Nc2cccc(F)c2C#N)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001040279598 1022818298 /nfs/dbraw/zinc/81/82/98/1022818298.db2.gz VQXQZJGKUFNHET-VLXAULBPSA-N 1 2 353.401 2.625 20 30 FFEDLO C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1snc(Cl)c1C#N ZINC001099765583 1022820905 /nfs/dbraw/zinc/82/09/05/1022820905.db2.gz WPUIUNIAVNHHRX-OPRDCNLKSA-N 1 2 364.862 2.502 20 30 FFEDLO C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1snc(Cl)c1C#N ZINC001099765583 1022820922 /nfs/dbraw/zinc/82/09/22/1022820922.db2.gz WPUIUNIAVNHHRX-OPRDCNLKSA-N 1 2 364.862 2.502 20 30 FFEDLO Cc1nn(-c2ccccc2)c(COC(=O)CCc2ccc(N)[nH+]c2)c1C#N ZINC000751441718 1022832268 /nfs/dbraw/zinc/83/22/68/1022832268.db2.gz HFUAXVANRAHICO-UHFFFAOYSA-N 1 2 361.405 2.706 20 30 FFEDLO C=C(C)Cn1c(N2Cc3ccccc3[C@@H]2C)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001122396026 1023241577 /nfs/dbraw/zinc/24/15/77/1023241577.db2.gz VLHJSEDORDSWSP-HZUJVAHNSA-N 1 2 367.497 2.847 20 30 FFEDLO C=C(C)Cn1c(N2Cc3ccccc3[C@@H]2C)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001122396026 1023241582 /nfs/dbraw/zinc/24/15/82/1023241582.db2.gz VLHJSEDORDSWSP-HZUJVAHNSA-N 1 2 367.497 2.847 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C)C3(CCC3)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001122396233 1023241611 /nfs/dbraw/zinc/24/16/11/1023241611.db2.gz YQBQVKANRMPRHZ-ABSDTBQOSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C)C3(CCC3)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001122396233 1023241620 /nfs/dbraw/zinc/24/16/20/1023241620.db2.gz YQBQVKANRMPRHZ-ABSDTBQOSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCc3cc[nH+]c(N(C)C)c3C2)nnc1C(C)(C)C#N ZINC001122399762 1023244087 /nfs/dbraw/zinc/24/40/87/1023244087.db2.gz GGTBLIGPFLHDAV-UHFFFAOYSA-N 1 2 365.485 2.679 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001490845369 1023296351 /nfs/dbraw/zinc/29/63/51/1023296351.db2.gz BAMPGTHAVUVWLT-ZACQAIPSSA-N 1 2 370.497 2.519 20 30 FFEDLO CCOCCCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@](C)(C#N)C1 ZINC001122607431 1023365158 /nfs/dbraw/zinc/36/51/58/1023365158.db2.gz WEQIDBQAROADDD-VQIMIIECSA-N 1 2 360.506 2.601 20 30 FFEDLO CCOCCCn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@](C)(C#N)C1 ZINC001122607431 1023365164 /nfs/dbraw/zinc/36/51/64/1023365164.db2.gz WEQIDBQAROADDD-VQIMIIECSA-N 1 2 360.506 2.601 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001122623101 1023375521 /nfs/dbraw/zinc/37/55/21/1023375521.db2.gz PZEWVQGGYFLTSG-SQNIBIBYSA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001122623101 1023375530 /nfs/dbraw/zinc/37/55/30/1023375530.db2.gz PZEWVQGGYFLTSG-SQNIBIBYSA-N 1 2 359.518 2.874 20 30 FFEDLO NC(=[NH+]O[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc2c(c1)CCO2 ZINC000753830540 1023386806 /nfs/dbraw/zinc/38/68/06/1023386806.db2.gz SSFFWNBXYDKUAJ-QGZVFWFLSA-N 1 2 371.824 2.717 20 30 FFEDLO C=C(COC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)C(=O)OCC ZINC000754951458 1023545580 /nfs/dbraw/zinc/54/55/80/1023545580.db2.gz NGVHNAJXDQVCKL-UHFFFAOYSA-N 1 2 355.394 2.673 20 30 FFEDLO C#CC1CCN(c2nnc(Cc3[nH+]ccn3C)n2Cc2cccs2)CC1 ZINC001122911731 1023548731 /nfs/dbraw/zinc/54/87/31/1023548731.db2.gz RCFDLNSDNVKVGT-UHFFFAOYSA-N 1 2 366.494 2.562 20 30 FFEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@]3(C)C[C@@H]3c3ccccc3)CC2)C1 ZINC000949493313 1023549909 /nfs/dbraw/zinc/54/99/09/1023549909.db2.gz SDWICSOKCIYJOX-CTNGQTDRSA-N 1 2 352.478 2.507 20 30 FFEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@]3(C)C[C@@H]3c3ccccc3)CC2)C1 ZINC000949493313 1023549912 /nfs/dbraw/zinc/54/99/12/1023549912.db2.gz SDWICSOKCIYJOX-CTNGQTDRSA-N 1 2 352.478 2.507 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CCC#N)n2Cc2cccs2)CC1 ZINC001123032323 1023602338 /nfs/dbraw/zinc/60/23/38/1023602338.db2.gz GVNIAOXQZZZULP-MRXNPFEDSA-N 1 2 368.510 2.550 20 30 FFEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1cccc2cnccc21 ZINC000755698152 1023626501 /nfs/dbraw/zinc/62/65/01/1023626501.db2.gz IQLVMKKNABIMAF-UHFFFAOYSA-N 1 2 350.426 2.559 20 30 FFEDLO CCCCCC[C@@H](CC)C(=O)N1CCO[C@@H]2C[N@H+](CC#CCOC)C[C@@H]21 ZINC001218428242 1033151562 /nfs/dbraw/zinc/15/15/62/1033151562.db2.gz AQWNIDIIRYAZOJ-HSALFYBXSA-N 1 2 364.530 2.544 20 30 FFEDLO CCCCCC[C@@H](CC)C(=O)N1CCO[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]21 ZINC001218428242 1033151567 /nfs/dbraw/zinc/15/15/67/1033151567.db2.gz AQWNIDIIRYAZOJ-HSALFYBXSA-N 1 2 364.530 2.544 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)[C@H](C#N)c1ncc(Cl)n1C ZINC001123234482 1023699305 /nfs/dbraw/zinc/69/93/05/1023699305.db2.gz VSLJVKJDFDAYNJ-VIFPVBQESA-N 1 2 363.755 2.886 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N(CC)Cc1ccccc1C ZINC001121509584 1023817280 /nfs/dbraw/zinc/81/72/80/1023817280.db2.gz HFRVYEAVUUMMJX-ZWKOTPCHSA-N 1 2 355.486 2.537 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N(CC)Cc1ccccc1C ZINC001121509584 1023817287 /nfs/dbraw/zinc/81/72/87/1023817287.db2.gz HFRVYEAVUUMMJX-ZWKOTPCHSA-N 1 2 355.486 2.537 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(CC)Cc1ccccc1C ZINC001121509578 1023817702 /nfs/dbraw/zinc/81/77/02/1023817702.db2.gz HFRVYEAVUUMMJX-MSOLQXFVSA-N 1 2 355.486 2.537 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(CC)Cc1ccccc1C ZINC001121509578 1023817705 /nfs/dbraw/zinc/81/77/05/1023817705.db2.gz HFRVYEAVUUMMJX-MSOLQXFVSA-N 1 2 355.486 2.537 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(CCC)Cc1ccccc1F ZINC001121609550 1023878781 /nfs/dbraw/zinc/87/87/81/1023878781.db2.gz MGTYJQYIDYOLQO-WMZOPIPTSA-N 1 2 373.476 2.757 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(CCC)Cc1ccccc1F ZINC001121609550 1023878790 /nfs/dbraw/zinc/87/87/90/1023878790.db2.gz MGTYJQYIDYOLQO-WMZOPIPTSA-N 1 2 373.476 2.757 20 30 FFEDLO C=CCn1c(N(CC)Cc2ccccc2F)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121609214 1023879265 /nfs/dbraw/zinc/87/92/65/1023879265.db2.gz XUMWOYMYHJAWQR-OXJNMPFZSA-N 1 2 373.476 2.541 20 30 FFEDLO C=CCn1c(N(CC)Cc2ccccc2F)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001121609214 1023879274 /nfs/dbraw/zinc/87/92/74/1023879274.db2.gz XUMWOYMYHJAWQR-OXJNMPFZSA-N 1 2 373.476 2.541 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC(OCC2CC2)CC1 ZINC001121622935 1023886663 /nfs/dbraw/zinc/88/66/63/1023886663.db2.gz GNNIJTDXRVQSHR-UHFFFAOYSA-N 1 2 359.518 2.845 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Br)n1C ZINC001276844433 1033173375 /nfs/dbraw/zinc/17/33/75/1033173375.db2.gz ONHDQTDOBDPLLS-KRWDZBQOSA-N 1 2 366.303 2.931 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Br)n1C ZINC001276844433 1033173382 /nfs/dbraw/zinc/17/33/82/1033173382.db2.gz ONHDQTDOBDPLLS-KRWDZBQOSA-N 1 2 366.303 2.931 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2ccccc2C1 ZINC001121711791 1023940531 /nfs/dbraw/zinc/94/05/31/1023940531.db2.gz CUAASSCLMRKDDU-UHFFFAOYSA-N 1 2 364.497 2.954 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2C[N@H+](Cc3nc4ccccc4c(=O)[nH]3)C[C@@]2(C)C1 ZINC001101167580 1023985599 /nfs/dbraw/zinc/98/55/99/1023985599.db2.gz JXOUOVBLHMRTBV-VFNWGFHPSA-N 1 2 366.465 2.582 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+](Cc3nc4ccccc4c(=O)[nH]3)C[C@@]2(C)C1 ZINC001101167580 1023985611 /nfs/dbraw/zinc/98/56/11/1023985611.db2.gz JXOUOVBLHMRTBV-VFNWGFHPSA-N 1 2 366.465 2.582 20 30 FFEDLO Cc1cc(Cn2c([C@@H]3CCC[N@@H+]3C)nnc2N(C)[C@@H]2CCC[C@H]2C#N)no1 ZINC001123796974 1024039594 /nfs/dbraw/zinc/03/95/94/1024039594.db2.gz IMOYJQQQEDLYPO-UAGQMJEPSA-N 1 2 369.473 2.518 20 30 FFEDLO Cc1cc(Cn2c([C@@H]3CCC[N@H+]3C)nnc2N(C)[C@@H]2CCC[C@H]2C#N)no1 ZINC001123796974 1024039606 /nfs/dbraw/zinc/03/96/06/1024039606.db2.gz IMOYJQQQEDLYPO-UAGQMJEPSA-N 1 2 369.473 2.518 20 30 FFEDLO CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(CCC#N)CCC(C)C ZINC001121804108 1024044744 /nfs/dbraw/zinc/04/47/44/1024044744.db2.gz OHWHZHNADMORIF-ZWKOTPCHSA-N 1 2 374.533 2.990 20 30 FFEDLO CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(CCC#N)CCC(C)C ZINC001121804108 1024044762 /nfs/dbraw/zinc/04/47/62/1024044762.db2.gz OHWHZHNADMORIF-ZWKOTPCHSA-N 1 2 374.533 2.990 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@H]2C[N@H+](Cc3nc(C(C)C)ns3)C[C@@]2(C)C1 ZINC001101229850 1024137889 /nfs/dbraw/zinc/13/78/89/1024137889.db2.gz NBMVMWVQPPGZKQ-BEFAXECRSA-N 1 2 360.527 2.601 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@H]2C[N@@H+](Cc3nc(C(C)C)ns3)C[C@@]2(C)C1 ZINC001101229850 1024137893 /nfs/dbraw/zinc/13/78/93/1024137893.db2.gz NBMVMWVQPPGZKQ-BEFAXECRSA-N 1 2 360.527 2.601 20 30 FFEDLO C=CCN(CCOC)c1nnc([C@H]2CCC[N@@H+]2C)n1Cc1ccccc1 ZINC001122077293 1024321830 /nfs/dbraw/zinc/32/18/30/1024321830.db2.gz NGWGDFXFJGATCP-GOSISDBHSA-N 1 2 355.486 2.732 20 30 FFEDLO C=CCN(CCOC)c1nnc([C@H]2CCC[N@H+]2C)n1Cc1ccccc1 ZINC001122077293 1024321843 /nfs/dbraw/zinc/32/18/43/1024321843.db2.gz NGWGDFXFJGATCP-GOSISDBHSA-N 1 2 355.486 2.732 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)o3)C[C@@]2(C)C1 ZINC001101337799 1024486747 /nfs/dbraw/zinc/48/67/47/1024486747.db2.gz LXMXNLNOVNTGMP-NBQZKYEYSA-N 1 2 358.486 2.830 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)o3)C[C@@]2(C)C1 ZINC001101337799 1024486759 /nfs/dbraw/zinc/48/67/59/1024486759.db2.gz LXMXNLNOVNTGMP-NBQZKYEYSA-N 1 2 358.486 2.830 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+]([C@@H](C)c4nnc(CC)[nH]4)C[C@@]3(C)C2)CCC1 ZINC001101356243 1024534551 /nfs/dbraw/zinc/53/45/51/1024534551.db2.gz LVKTYRFGVQCMLE-YRNRMSPPSA-N 1 2 371.529 2.955 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+]([C@@H](C)c4nnc(CC)[nH]4)C[C@@]3(C)C2)CCC1 ZINC001101356243 1024534556 /nfs/dbraw/zinc/53/45/56/1024534556.db2.gz LVKTYRFGVQCMLE-YRNRMSPPSA-N 1 2 371.529 2.955 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001101379082 1024587407 /nfs/dbraw/zinc/58/74/07/1024587407.db2.gz UMNCDKFWERJGIJ-KUHUBIRLSA-N 1 2 364.921 2.956 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001101379082 1024587415 /nfs/dbraw/zinc/58/74/15/1024587415.db2.gz UMNCDKFWERJGIJ-KUHUBIRLSA-N 1 2 364.921 2.956 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001101379085 1024587750 /nfs/dbraw/zinc/58/77/50/1024587750.db2.gz UPRIAFKXXXVCEH-MDOVXXIYSA-N 1 2 359.518 2.811 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001101379085 1024587761 /nfs/dbraw/zinc/58/77/61/1024587761.db2.gz UPRIAFKXXXVCEH-MDOVXXIYSA-N 1 2 359.518 2.811 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)CC(C)(C)CC(=O)c2ccc(OC)cc2)CC1 ZINC000759708359 1024731085 /nfs/dbraw/zinc/73/10/85/1024731085.db2.gz WIDAFDMRUOLRMR-UHFFFAOYSA-N 1 2 370.493 2.852 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@H]2C[N@H+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001101442260 1024753824 /nfs/dbraw/zinc/75/38/24/1024753824.db2.gz AILWQFQGHFHUAY-XLIONFOSSA-N 1 2 361.534 2.846 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001101442260 1024753835 /nfs/dbraw/zinc/75/38/35/1024753835.db2.gz AILWQFQGHFHUAY-XLIONFOSSA-N 1 2 361.534 2.846 20 30 FFEDLO COC(=O)c1csc(CO[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001223011765 1033240360 /nfs/dbraw/zinc/24/03/60/1033240360.db2.gz CZTAMQHLSQOLOU-HNNXBMFYSA-N 1 2 357.435 2.592 20 30 FFEDLO COC(=O)c1csc(CO[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001223011765 1033240370 /nfs/dbraw/zinc/24/03/70/1033240370.db2.gz CZTAMQHLSQOLOU-HNNXBMFYSA-N 1 2 357.435 2.592 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c[nH]nc31)C2 ZINC001095851037 1025076500 /nfs/dbraw/zinc/07/65/00/1025076500.db2.gz IMOAUPRTMUSTFZ-HOJAQTOUSA-N 1 2 371.444 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c[nH]nc31)C2 ZINC001095851037 1025076512 /nfs/dbraw/zinc/07/65/12/1025076512.db2.gz IMOAUPRTMUSTFZ-HOJAQTOUSA-N 1 2 371.444 2.970 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2nnc(C3CC3)s2)C[C@H]1CNC(=O)C#CC(C)(C)C ZINC001101954962 1025210088 /nfs/dbraw/zinc/21/00/88/1025210088.db2.gz MBQKOBKQLRCTOR-UKRRQHHQSA-N 1 2 360.527 2.649 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)s2)C[C@H]1CNC(=O)C#CC(C)(C)C ZINC001101954962 1025210096 /nfs/dbraw/zinc/21/00/96/1025210096.db2.gz MBQKOBKQLRCTOR-UKRRQHHQSA-N 1 2 360.527 2.649 20 30 FFEDLO CCCc1nnc(C[N@H+]2C[C@@H](CNC(=O)C#CC(C)(C)C)[C@H](C)C2)s1 ZINC001101954850 1025210645 /nfs/dbraw/zinc/21/06/45/1025210645.db2.gz GPRRJGYSWYJLRY-HUUCEWRRSA-N 1 2 362.543 2.724 20 30 FFEDLO CCCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)C#CC(C)(C)C)[C@H](C)C2)s1 ZINC001101954850 1025210650 /nfs/dbraw/zinc/21/06/50/1025210650.db2.gz GPRRJGYSWYJLRY-HUUCEWRRSA-N 1 2 362.543 2.724 20 30 FFEDLO N#Cc1c(N)sc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c1Cl ZINC001141111771 1025471387 /nfs/dbraw/zinc/47/13/87/1025471387.db2.gz CDYGNSKYPJHOBC-GFCCVEGCSA-N 1 2 352.891 2.832 20 30 FFEDLO N#Cc1c(N)sc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c1Cl ZINC001141111771 1025471395 /nfs/dbraw/zinc/47/13/95/1025471395.db2.gz CDYGNSKYPJHOBC-GFCCVEGCSA-N 1 2 352.891 2.832 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1C ZINC001102260959 1025657257 /nfs/dbraw/zinc/65/72/57/1025657257.db2.gz JKPHALWWYPHTAQ-BZUAXINKSA-N 1 2 361.534 2.889 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1C ZINC001102260959 1025657259 /nfs/dbraw/zinc/65/72/59/1025657259.db2.gz JKPHALWWYPHTAQ-BZUAXINKSA-N 1 2 361.534 2.889 20 30 FFEDLO N#CC1(CCCOC(=O)c2ccc(N)c(-n3cc[nH+]c3)c2)CCOCC1 ZINC000838097402 1026205433 /nfs/dbraw/zinc/20/54/33/1026205433.db2.gz JSXQFXBUEQYABJ-UHFFFAOYSA-N 1 2 354.410 2.712 20 30 FFEDLO C=C[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cnsn2)C[C@H]1C)c1ccccc1 ZINC001102592312 1026374470 /nfs/dbraw/zinc/37/44/70/1026374470.db2.gz UPYODIAKKBSHIH-KYJSFNMBSA-N 1 2 356.495 2.692 20 30 FFEDLO C=C[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2cnsn2)C[C@H]1C)c1ccccc1 ZINC001102592312 1026374480 /nfs/dbraw/zinc/37/44/80/1026374480.db2.gz UPYODIAKKBSHIH-KYJSFNMBSA-N 1 2 356.495 2.692 20 30 FFEDLO C#CCCCC(=O)NCC[C@@H]1C[N@H+](Cc2noc(CCCC)n2)C[C@H]1C ZINC001102915917 1026780128 /nfs/dbraw/zinc/78/01/28/1026780128.db2.gz SWBUSZOCHSAAKX-IAGOWNOFSA-N 1 2 360.502 2.790 20 30 FFEDLO C#CCCCC(=O)NCC[C@@H]1C[N@@H+](Cc2noc(CCCC)n2)C[C@H]1C ZINC001102915917 1026780137 /nfs/dbraw/zinc/78/01/37/1026780137.db2.gz SWBUSZOCHSAAKX-IAGOWNOFSA-N 1 2 360.502 2.790 20 30 FFEDLO C#CCCCC(=O)NCC[C@@H]1C[N@@H+](Cc2noc(C3CCC3)n2)C[C@H]1C ZINC001102917029 1026780575 /nfs/dbraw/zinc/78/05/75/1026780575.db2.gz JLVNMINSWSTMBR-NVXWUHKLSA-N 1 2 358.486 2.715 20 30 FFEDLO C#CCCCC(=O)NCC[C@@H]1C[N@H+](Cc2noc(C3CCC3)n2)C[C@H]1C ZINC001102917029 1026780586 /nfs/dbraw/zinc/78/05/86/1026780586.db2.gz JLVNMINSWSTMBR-NVXWUHKLSA-N 1 2 358.486 2.715 20 30 FFEDLO CC[C@H](C#N)Oc1cc(CNc2cc(NC[C@@H](C)O)[nH+]cn2)ccc1OC ZINC000840262101 1027024443 /nfs/dbraw/zinc/02/44/43/1027024443.db2.gz CJMUEEATZZZEOS-UKRRQHHQSA-N 1 2 371.441 2.571 20 30 FFEDLO CC[C@H](C#N)Oc1cc(CNc2cc(NC[C@@H](C)O)nc[nH+]2)ccc1OC ZINC000840262101 1027024448 /nfs/dbraw/zinc/02/44/48/1027024448.db2.gz CJMUEEATZZZEOS-UKRRQHHQSA-N 1 2 371.441 2.571 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)Nc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000840306884 1027040948 /nfs/dbraw/zinc/04/09/48/1027040948.db2.gz YPMYJPGCMJSPEG-NZSAHSFTSA-N 1 2 350.466 2.730 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)Nc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000840306884 1027040955 /nfs/dbraw/zinc/04/09/55/1027040955.db2.gz YPMYJPGCMJSPEG-NZSAHSFTSA-N 1 2 350.466 2.730 20 30 FFEDLO Cc1noc(C)c1CN1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000091890501 1027101676 /nfs/dbraw/zinc/10/16/76/1027101676.db2.gz HSSIKWZRUKSCGG-OAHLLOKOSA-N 1 2 354.454 2.900 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000091890501 1027101693 /nfs/dbraw/zinc/10/16/93/1027101693.db2.gz HSSIKWZRUKSCGG-OAHLLOKOSA-N 1 2 354.454 2.900 20 30 FFEDLO CSC[C@H]1CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000795601490 1027219912 /nfs/dbraw/zinc/21/99/12/1027219912.db2.gz TYVILSXAYHQAFN-DZGCQCFKSA-N 1 2 370.478 2.587 20 30 FFEDLO CSC[C@H]1CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000795601490 1027219939 /nfs/dbraw/zinc/21/99/39/1027219939.db2.gz TYVILSXAYHQAFN-DZGCQCFKSA-N 1 2 370.478 2.587 20 30 FFEDLO CC#CCCCC(=O)NCC[C@@H]1C[N@H+](Cc2noc(CCC)n2)C[C@H]1C ZINC001103338372 1027257294 /nfs/dbraw/zinc/25/72/94/1027257294.db2.gz COBQTIGJNYEORZ-IAGOWNOFSA-N 1 2 360.502 2.790 20 30 FFEDLO CC#CCCCC(=O)NCC[C@@H]1C[N@@H+](Cc2noc(CCC)n2)C[C@H]1C ZINC001103338372 1027257304 /nfs/dbraw/zinc/25/73/04/1027257304.db2.gz COBQTIGJNYEORZ-IAGOWNOFSA-N 1 2 360.502 2.790 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](CC)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001103339383 1027259616 /nfs/dbraw/zinc/25/96/16/1027259616.db2.gz OZHRLVXBPZWMEE-RYRKJORJSA-N 1 2 358.486 2.950 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1=CC[N@H+](Cc2cscn2)CC1 ZINC001161472495 1028193656 /nfs/dbraw/zinc/19/36/56/1028193656.db2.gz VOHVMVXYYPKZDW-ROUUACIJSA-N 1 2 361.511 2.763 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1=CC[N@@H+](Cc2cscn2)CC1 ZINC001161472495 1028193663 /nfs/dbraw/zinc/19/36/63/1028193663.db2.gz VOHVMVXYYPKZDW-ROUUACIJSA-N 1 2 361.511 2.763 20 30 FFEDLO O=C(NC(=NO)c1ccc(OC(F)(F)F)cc1)c1cccc2[nH+]ccn21 ZINC001154526453 1028336605 /nfs/dbraw/zinc/33/66/05/1028336605.db2.gz RWNVCRFOJZBEEI-UHFFFAOYSA-N 1 2 364.283 2.799 20 30 FFEDLO C[C@@H]1CN(C(=O)CC(F)(F)F)C[C@H]1CC[NH2+]CC(F)(F)C(F)F ZINC001103958843 1028420492 /nfs/dbraw/zinc/42/04/92/1028420492.db2.gz PYDJMBNDRYTWPP-RKDXNWHRSA-N 1 2 352.294 2.913 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)n1C1CC1)C2 ZINC001111711540 1029209422 /nfs/dbraw/zinc/20/94/22/1029209422.db2.gz YRYBOSVWQSTUBI-UWJYYQICSA-N 1 2 369.513 2.586 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)n1C1CC1)C2 ZINC001111711540 1029209439 /nfs/dbraw/zinc/20/94/39/1029209439.db2.gz YRYBOSVWQSTUBI-UWJYYQICSA-N 1 2 369.513 2.586 20 30 FFEDLO O=C(C#CC1CC1)N[C@]12CCC[C@H]1C[N@H+](Cc1csc(C3CC3)n1)C2 ZINC001111740922 1029303564 /nfs/dbraw/zinc/30/35/64/1029303564.db2.gz UFZPYGWUXRUGEE-JXFKEZNVSA-N 1 2 355.507 2.905 20 30 FFEDLO O=C(C#CC1CC1)N[C@]12CCC[C@H]1C[N@@H+](Cc1csc(C3CC3)n1)C2 ZINC001111740922 1029303578 /nfs/dbraw/zinc/30/35/78/1029303578.db2.gz UFZPYGWUXRUGEE-JXFKEZNVSA-N 1 2 355.507 2.905 20 30 FFEDLO O=C(N[C@]12CCC[C@H]1C[N@H+](CC#Cc1ccccc1)C2)C(F)C(F)(F)F ZINC001111756275 1029351527 /nfs/dbraw/zinc/35/15/27/1029351527.db2.gz JOCGANHDMMEAMQ-JZXOWHBKSA-N 1 2 368.374 2.909 20 30 FFEDLO O=C(N[C@]12CCC[C@H]1C[N@@H+](CC#Cc1ccccc1)C2)C(F)C(F)(F)F ZINC001111756275 1029351539 /nfs/dbraw/zinc/35/15/39/1029351539.db2.gz JOCGANHDMMEAMQ-JZXOWHBKSA-N 1 2 368.374 2.909 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1CC(C)C)C2 ZINC001111845954 1029608905 /nfs/dbraw/zinc/60/89/05/1029608905.db2.gz JYVVOIOLDPZJER-RXVVDRJESA-N 1 2 371.529 2.598 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1CC(C)C)C2 ZINC001111845954 1029608912 /nfs/dbraw/zinc/60/89/12/1029608912.db2.gz JYVVOIOLDPZJER-RXVVDRJESA-N 1 2 371.529 2.598 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2nc(Cc3cccc(F)c3)no2)cc1 ZINC000783026097 1029881176 /nfs/dbraw/zinc/88/11/76/1029881176.db2.gz FIMKCKZOCSMEEU-UHFFFAOYSA-N 1 2 356.357 2.645 20 30 FFEDLO Cc1cc(C#N)c(N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)nc1C ZINC001165741006 1030105807 /nfs/dbraw/zinc/10/58/07/1030105807.db2.gz ZPOCDKCJBBYHJL-KRWDZBQOSA-N 1 2 374.448 2.877 20 30 FFEDLO C=CCN1C(=O)N[C@H](c2cc(-n3cc[nH+]c3)cs2)C(C(=O)N(C)C)=C1C ZINC000783927382 1030345360 /nfs/dbraw/zinc/34/53/60/1030345360.db2.gz QHRJWJJWANNJPT-MRXNPFEDSA-N 1 2 371.466 2.548 20 30 FFEDLO C=C(C)C(=O)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001142510539 1030560202 /nfs/dbraw/zinc/56/02/02/1030560202.db2.gz YKSNEYVSQWQHTQ-GFCCVEGCSA-N 1 2 350.216 2.573 20 30 FFEDLO CC(=O)[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3c(Cl)cccc3C#N)C2)C1=O ZINC001276437207 1031056647 /nfs/dbraw/zinc/05/66/47/1031056647.db2.gz NXRSPCRDESRCGB-YJYMSZOUSA-N 1 2 359.857 2.614 20 30 FFEDLO CC(=O)[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3c(Cl)cccc3C#N)C2)C1=O ZINC001276437207 1031056663 /nfs/dbraw/zinc/05/66/63/1031056663.db2.gz NXRSPCRDESRCGB-YJYMSZOUSA-N 1 2 359.857 2.614 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCc3onc(CN4CCOCC4)c3C2)cc1 ZINC001204299812 1031214849 /nfs/dbraw/zinc/21/48/49/1031214849.db2.gz FRQUKHPDPNRJCA-UHFFFAOYSA-N 1 2 369.465 2.630 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCc3onc(CN4CCOCC4)c3C2)cc1 ZINC001204299812 1031214860 /nfs/dbraw/zinc/21/48/60/1031214860.db2.gz FRQUKHPDPNRJCA-UHFFFAOYSA-N 1 2 369.465 2.630 20 30 FFEDLO COc1cc(C#N)cc(OS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)c1 ZINC000799818853 1031902499 /nfs/dbraw/zinc/90/24/99/1031902499.db2.gz JCWQMTVHAAWDJV-UHFFFAOYSA-N 1 2 369.402 2.579 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CC4)n3C)[C@H]2C1 ZINC001223315414 1033388184 /nfs/dbraw/zinc/38/81/84/1033388184.db2.gz OVZJAVMZQDYXEM-JZXOWHBKSA-N 1 2 371.529 2.718 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C)[C@H]2C1 ZINC001223315414 1033388194 /nfs/dbraw/zinc/38/81/94/1033388194.db2.gz OVZJAVMZQDYXEM-JZXOWHBKSA-N 1 2 371.529 2.718 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3CCC)[C@H]2C1 ZINC001223338044 1033402246 /nfs/dbraw/zinc/40/22/46/1033402246.db2.gz GXLCBNGJFDDBOM-KURKYZTESA-N 1 2 359.518 2.713 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3CCC)[C@H]2C1 ZINC001223338044 1033402253 /nfs/dbraw/zinc/40/22/53/1033402253.db2.gz GXLCBNGJFDDBOM-KURKYZTESA-N 1 2 359.518 2.713 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)c2ccc(F)cc2F)C[C@@H]1O ZINC001219720566 1033786039 /nfs/dbraw/zinc/78/60/39/1033786039.db2.gz RTHGHAZLZXBSOX-SQNIBIBYSA-N 1 2 352.425 2.934 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)c2ccc(F)cc2F)C[C@@H]1O ZINC001219720566 1033786047 /nfs/dbraw/zinc/78/60/47/1033786047.db2.gz RTHGHAZLZXBSOX-SQNIBIBYSA-N 1 2 352.425 2.934 20 30 FFEDLO CCCCCCCC(=O)c1ccc(O)c(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001219856760 1033853925 /nfs/dbraw/zinc/85/39/25/1033853925.db2.gz ZWPPYRXRLJXGDU-FUHIMQAGSA-N 1 2 374.481 2.652 20 30 FFEDLO N#CCCCN1CC[C@@]2(CC[N@@H+](Cc3cc(F)c(O)c(Cl)c3)C2)C1=O ZINC001276998011 1034011703 /nfs/dbraw/zinc/01/17/03/1034011703.db2.gz BVOGJKNVNQOKNJ-GOSISDBHSA-N 1 2 365.836 2.913 20 30 FFEDLO N#CCCCN1CC[C@@]2(CC[N@H+](Cc3cc(F)c(O)c(Cl)c3)C2)C1=O ZINC001276998011 1034011716 /nfs/dbraw/zinc/01/17/16/1034011716.db2.gz BVOGJKNVNQOKNJ-GOSISDBHSA-N 1 2 365.836 2.913 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)c(OC)c2)C[C@@H]1O ZINC001220293929 1034106147 /nfs/dbraw/zinc/10/61/47/1034106147.db2.gz ZWUIDQDNDPSCMJ-GJYPPUQNSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(OC)c2)C[C@@H]1O ZINC001220293929 1034106155 /nfs/dbraw/zinc/10/61/55/1034106155.db2.gz ZWUIDQDNDPSCMJ-GJYPPUQNSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@@H]1O ZINC001220436777 1034175352 /nfs/dbraw/zinc/17/53/52/1034175352.db2.gz HANQMCWFFKJLQC-SJORKVTESA-N 1 2 368.880 2.785 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)C[C@@H]1O ZINC001220436777 1034175354 /nfs/dbraw/zinc/17/53/54/1034175354.db2.gz HANQMCWFFKJLQC-SJORKVTESA-N 1 2 368.880 2.785 20 30 FFEDLO C#CCOc1ccc(C[NH+]2CCN(c3ncc(C)s3)CC2)cc1OC ZINC001138349388 1034184099 /nfs/dbraw/zinc/18/40/99/1034184099.db2.gz XHSJAENEUXIDRY-UHFFFAOYSA-N 1 2 357.479 2.794 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O)C1CCCCC1 ZINC001220539890 1034245521 /nfs/dbraw/zinc/24/55/21/1034245521.db2.gz WITXMVQRFFUJMK-DQLDELGASA-N 1 2 369.509 2.826 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O)C1CCCCC1 ZINC001220539890 1034245533 /nfs/dbraw/zinc/24/55/33/1034245533.db2.gz WITXMVQRFFUJMK-DQLDELGASA-N 1 2 369.509 2.826 20 30 FFEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220593897 1034276379 /nfs/dbraw/zinc/27/63/79/1034276379.db2.gz JGAZPVGNONMQMF-IPELMVKDSA-N 1 2 362.901 2.679 20 30 FFEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220593897 1034276393 /nfs/dbraw/zinc/27/63/93/1034276393.db2.gz JGAZPVGNONMQMF-IPELMVKDSA-N 1 2 362.901 2.679 20 30 FFEDLO CC[C@@H](CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)C(C)(C)C ZINC001220746569 1034372443 /nfs/dbraw/zinc/37/24/43/1034372443.db2.gz FVIKUJFLBXLLNI-ZCNNSNEGSA-N 1 2 356.510 2.662 20 30 FFEDLO CC[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)C(C)(C)C ZINC001220746569 1034372454 /nfs/dbraw/zinc/37/24/54/1034372454.db2.gz FVIKUJFLBXLLNI-ZCNNSNEGSA-N 1 2 356.510 2.662 20 30 FFEDLO C=C(C)COc1ccccc1C[N@@H+]1CCCn2cnc(CNC(C)=O)c2C1 ZINC001138663942 1034523560 /nfs/dbraw/zinc/52/35/60/1034523560.db2.gz GRWVTZMJBDWUPH-UHFFFAOYSA-N 1 2 368.481 2.880 20 30 FFEDLO C=C(C)COc1ccccc1C[N@H+]1CCCn2cnc(CNC(C)=O)c2C1 ZINC001138663942 1034523567 /nfs/dbraw/zinc/52/35/67/1034523567.db2.gz GRWVTZMJBDWUPH-UHFFFAOYSA-N 1 2 368.481 2.880 20 30 FFEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1cccnc1NC)CC2 ZINC001138690738 1034548824 /nfs/dbraw/zinc/54/88/24/1034548824.db2.gz SEQVEPBOJKNPCG-UHFFFAOYSA-N 1 2 367.497 2.991 20 30 FFEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1cccnc1NC)CC2 ZINC001138690738 1034548828 /nfs/dbraw/zinc/54/88/28/1034548828.db2.gz SEQVEPBOJKNPCG-UHFFFAOYSA-N 1 2 367.497 2.991 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[N@H+](Cc3cccc(F)c3Cl)C[C@H]21 ZINC001221517788 1034836484 /nfs/dbraw/zinc/83/64/84/1034836484.db2.gz JWUJKWOIBWYPPA-VVFCZOMOSA-N 1 2 366.864 2.839 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(F)c3Cl)C[C@H]21 ZINC001221517788 1034836493 /nfs/dbraw/zinc/83/64/93/1034836493.db2.gz JWUJKWOIBWYPPA-VVFCZOMOSA-N 1 2 366.864 2.839 20 30 FFEDLO COc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC(C)(C)C)[C@@H]2C1 ZINC001221538995 1034857462 /nfs/dbraw/zinc/85/74/62/1034857462.db2.gz IJLXDJAAHQKOCH-CRAIPNDOSA-N 1 2 358.457 2.917 20 30 FFEDLO COc1ccc(F)cc1C[N@H+]1CC[C@@H]2CN(C(=O)C#CC(C)(C)C)[C@@H]2C1 ZINC001221538995 1034857467 /nfs/dbraw/zinc/85/74/67/1034857467.db2.gz IJLXDJAAHQKOCH-CRAIPNDOSA-N 1 2 358.457 2.917 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001221574859 1034887925 /nfs/dbraw/zinc/88/79/25/1034887925.db2.gz MVKMLSCGBCDEJK-SJLPKXTDSA-N 1 2 355.482 2.760 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001221574859 1034887932 /nfs/dbraw/zinc/88/79/32/1034887932.db2.gz MVKMLSCGBCDEJK-SJLPKXTDSA-N 1 2 355.482 2.760 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@H](C)CCCCC)C[C@H]21 ZINC001221585219 1034897319 /nfs/dbraw/zinc/89/73/19/1034897319.db2.gz YXVMHOXFLMPPDA-GUDVDZBRSA-N 1 2 363.546 2.960 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@H](C)CCCCC)C[C@H]21 ZINC001221585219 1034897327 /nfs/dbraw/zinc/89/73/27/1034897327.db2.gz YXVMHOXFLMPPDA-GUDVDZBRSA-N 1 2 363.546 2.960 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)cn3)C[C@H]21)OCC ZINC001221586398 1034898275 /nfs/dbraw/zinc/89/82/75/1034898275.db2.gz JFALLMFUHLCNNK-ATZDWAIDSA-N 1 2 361.461 2.625 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)cn3)C[C@H]21)OCC ZINC001221586398 1034898281 /nfs/dbraw/zinc/89/82/81/1034898281.db2.gz JFALLMFUHLCNNK-ATZDWAIDSA-N 1 2 361.461 2.625 20 30 FFEDLO COCCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)CC1 ZINC001221604748 1034912539 /nfs/dbraw/zinc/91/25/39/1034912539.db2.gz NMMGGDDFSQEOIG-IEBWSBKVSA-N 1 2 371.456 2.547 20 30 FFEDLO COCCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)CC1 ZINC001221604748 1034912543 /nfs/dbraw/zinc/91/25/43/1034912543.db2.gz NMMGGDDFSQEOIG-IEBWSBKVSA-N 1 2 371.456 2.547 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1c[nH]c2cccc(C)c12 ZINC001139193655 1034999699 /nfs/dbraw/zinc/99/96/99/1034999699.db2.gz HCTGRDWBFOVKKC-GOSISDBHSA-N 1 2 351.454 2.907 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1c[nH]c2cccc(C)c12 ZINC001139193655 1034999705 /nfs/dbraw/zinc/99/97/05/1034999705.db2.gz HCTGRDWBFOVKKC-GOSISDBHSA-N 1 2 351.454 2.907 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001221754497 1035040953 /nfs/dbraw/zinc/04/09/53/1035040953.db2.gz LWTGEVIFLDXQSJ-GDBMZVCRSA-N 1 2 364.440 2.584 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cn(C)nc3C(F)F)C[C@H]21 ZINC001221754497 1035040959 /nfs/dbraw/zinc/04/09/59/1035040959.db2.gz LWTGEVIFLDXQSJ-GDBMZVCRSA-N 1 2 364.440 2.584 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)c3ccccc3)C[C@H]21 ZINC001221760496 1035044838 /nfs/dbraw/zinc/04/48/38/1035044838.db2.gz HMGRJTLBXLOELK-NLWGTHIKSA-N 1 2 369.509 2.784 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)c3ccccc3)C[C@H]21 ZINC001221760496 1035044845 /nfs/dbraw/zinc/04/48/45/1035044845.db2.gz HMGRJTLBXLOELK-NLWGTHIKSA-N 1 2 369.509 2.784 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3ccccc3)CC2)cc1F ZINC001139530963 1035149004 /nfs/dbraw/zinc/14/90/04/1035149004.db2.gz ZGJGYGBQOMRHTF-UHFFFAOYSA-N 1 2 351.425 2.974 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3ccccc3)CC2)cc1F ZINC001139530963 1035149009 /nfs/dbraw/zinc/14/90/09/1035149009.db2.gz ZGJGYGBQOMRHTF-UHFFFAOYSA-N 1 2 351.425 2.974 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2c[nH]c3c2cccc3C#N)CCO1 ZINC001139703061 1035201834 /nfs/dbraw/zinc/20/18/34/1035201834.db2.gz JNHDSLVOGGSCTF-MRXNPFEDSA-N 1 2 370.453 2.765 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C#N)CCO1 ZINC001139703061 1035201842 /nfs/dbraw/zinc/20/18/42/1035201842.db2.gz JNHDSLVOGGSCTF-MRXNPFEDSA-N 1 2 370.453 2.765 20 30 FFEDLO Cc1ccc(CN2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)cc1C#N ZINC001139724643 1035209079 /nfs/dbraw/zinc/20/90/79/1035209079.db2.gz YMEPWHWURXOROZ-UHFFFAOYSA-N 1 2 352.486 2.704 20 30 FFEDLO Cc1ccc(CN2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)cc1C#N ZINC001139724643 1035209084 /nfs/dbraw/zinc/20/90/84/1035209084.db2.gz YMEPWHWURXOROZ-UHFFFAOYSA-N 1 2 352.486 2.704 20 30 FFEDLO C=CCn1cc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)cn1 ZINC001139771832 1035227936 /nfs/dbraw/zinc/22/79/36/1035227936.db2.gz QLNBCTSVKZTEFU-PWRODBHTSA-N 1 2 368.481 2.660 20 30 FFEDLO C=CCn1cc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)cn1 ZINC001139771832 1035227937 /nfs/dbraw/zinc/22/79/37/1035227937.db2.gz QLNBCTSVKZTEFU-PWRODBHTSA-N 1 2 368.481 2.660 20 30 FFEDLO N#Cc1ccc2[nH]cc(C[N@H+]3Cc4nccn4C[C@@H](Cn4cccn4)C3)c2c1 ZINC001140114357 1035346082 /nfs/dbraw/zinc/34/60/82/1035346082.db2.gz VUZPLTNGXQUODC-KRWDZBQOSA-N 1 2 371.448 2.765 20 30 FFEDLO N#Cc1ccc2[nH]cc(C[N@@H+]3Cc4nccn4C[C@@H](Cn4cccn4)C3)c2c1 ZINC001140114357 1035346088 /nfs/dbraw/zinc/34/60/88/1035346088.db2.gz VUZPLTNGXQUODC-KRWDZBQOSA-N 1 2 371.448 2.765 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000834837243 1035460380 /nfs/dbraw/zinc/46/03/80/1035460380.db2.gz SNVNJMSXDWAOBA-UHFFFAOYSA-N 1 2 368.437 2.923 20 30 FFEDLO C[NH+]1CCN(c2cccc(Cl)c2C=[NH+]Nc2ccc(C(=O)[O-])nc2)CC1 ZINC000835006977 1035486400 /nfs/dbraw/zinc/48/64/00/1035486400.db2.gz NFQKEGNDBOUTBI-UHFFFAOYSA-N 1 2 373.844 2.631 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC000835082270 1035521740 /nfs/dbraw/zinc/52/17/40/1035521740.db2.gz RDDTXPWZVLQLNX-INIZCTEOSA-N 1 2 363.433 2.813 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC000835082270 1035521747 /nfs/dbraw/zinc/52/17/47/1035521747.db2.gz RDDTXPWZVLQLNX-INIZCTEOSA-N 1 2 363.433 2.813 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001277232727 1035681498 /nfs/dbraw/zinc/68/14/98/1035681498.db2.gz YITUSJQILDPKIE-LJQANCHMSA-N 1 2 364.873 2.673 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001277232727 1035681500 /nfs/dbraw/zinc/68/15/00/1035681500.db2.gz YITUSJQILDPKIE-LJQANCHMSA-N 1 2 364.873 2.673 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccccc3C(=O)Nc3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228027700 1035884155 /nfs/dbraw/zinc/88/41/55/1035884155.db2.gz PINOIEUCZLVPLM-MXHDYAKMSA-N 1 2 350.418 2.930 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccccc3C(=O)Nc3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228027700 1035884170 /nfs/dbraw/zinc/88/41/70/1035884170.db2.gz PINOIEUCZLVPLM-MXHDYAKMSA-N 1 2 350.418 2.930 20 30 FFEDLO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2cc(C#N)ccc2O)[C@@H]2CCCO[C@H]12 ZINC001232676745 1035933021 /nfs/dbraw/zinc/93/30/21/1035933021.db2.gz QZTWPGSUDMJCLI-SBHAEUEKSA-N 1 2 367.449 2.721 20 30 FFEDLO CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2O)[C@@H]2CCCO[C@H]12 ZINC001232676745 1035933027 /nfs/dbraw/zinc/93/30/27/1035933027.db2.gz QZTWPGSUDMJCLI-SBHAEUEKSA-N 1 2 367.449 2.721 20 30 FFEDLO COc1ccnc(OC2CC[NH+](Cc3cc(F)c(C#N)c(F)c3)CC2)n1 ZINC001140755905 1036070178 /nfs/dbraw/zinc/07/01/78/1036070178.db2.gz YGTFSOKEHSSKEJ-UHFFFAOYSA-N 1 2 360.364 2.678 20 30 FFEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1cc(F)ccc1C#N ZINC001232891248 1036134360 /nfs/dbraw/zinc/13/43/60/1036134360.db2.gz IBNHUVUSPQZBFC-IBGZPJMESA-N 1 2 369.444 2.710 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001232891722 1036134510 /nfs/dbraw/zinc/13/45/10/1036134510.db2.gz QREPXJVGCKVZFY-ICSRJNTNSA-N 1 2 353.397 2.905 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001232891722 1036134520 /nfs/dbraw/zinc/13/45/20/1036134520.db2.gz QREPXJVGCKVZFY-ICSRJNTNSA-N 1 2 353.397 2.905 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)n1 ZINC001232927300 1036165456 /nfs/dbraw/zinc/16/54/56/1036165456.db2.gz YHCRATQLMNZDIU-MRXNPFEDSA-N 1 2 350.397 2.713 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)n1 ZINC001232927300 1036165464 /nfs/dbraw/zinc/16/54/64/1036165464.db2.gz YHCRATQLMNZDIU-MRXNPFEDSA-N 1 2 350.397 2.713 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)c(O)c1 ZINC001233385133 1036584973 /nfs/dbraw/zinc/58/49/73/1036584973.db2.gz VUDUIXCQVGWDCW-IMFGXOCKSA-N 1 2 365.433 2.717 20 30 FFEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ncc(Cl)cc1Cl)CC2 ZINC001277801136 1036720983 /nfs/dbraw/zinc/72/09/83/1036720983.db2.gz ANPGQDMEGUDAFS-ZDUSSCGKSA-N 1 2 352.265 2.740 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccc3c(c1)OCCO3)CCC2 ZINC001141037641 1036819100 /nfs/dbraw/zinc/81/91/00/1036819100.db2.gz SNPCQSWRTUNZBQ-UHFFFAOYSA-N 1 2 355.438 2.763 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccc3c(c1)OCCO3)CCC2 ZINC001141037641 1036819119 /nfs/dbraw/zinc/81/91/19/1036819119.db2.gz SNPCQSWRTUNZBQ-UHFFFAOYSA-N 1 2 355.438 2.763 20 30 FFEDLO C#CCN1CCC2(CC[NH+](Cc3ccc(OC)c(Cl)c3O)CC2)C1=O ZINC001277834725 1036938104 /nfs/dbraw/zinc/93/81/04/1036938104.db2.gz UCEPXAPAOJLDAD-UHFFFAOYSA-N 1 2 362.857 2.502 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(Cl)ccc2Cl)C[C@H]1C ZINC001206954929 1036978690 /nfs/dbraw/zinc/97/86/90/1036978690.db2.gz DKNNHUMOOGTXJZ-IIYDPXPESA-N 1 2 369.292 2.968 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2Cl)C[C@H]1C ZINC001206954929 1036978701 /nfs/dbraw/zinc/97/87/01/1036978701.db2.gz DKNNHUMOOGTXJZ-IIYDPXPESA-N 1 2 369.292 2.968 20 30 FFEDLO Cc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c(I)c1 ZINC001229989702 1037019373 /nfs/dbraw/zinc/01/93/73/1037019373.db2.gz GZXAWDGHUQLKCJ-HJTUNCCVSA-N 1 2 371.218 2.591 20 30 FFEDLO Cc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c(I)c1 ZINC001229989702 1037019391 /nfs/dbraw/zinc/01/93/91/1037019391.db2.gz GZXAWDGHUQLKCJ-HJTUNCCVSA-N 1 2 371.218 2.591 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1n[nH]c2ccc(F)cc12 ZINC001276508373 1037146649 /nfs/dbraw/zinc/14/66/49/1037146649.db2.gz ACDQENDIHUEKFX-QZTJIDSGSA-N 1 2 355.417 2.571 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1n[nH]c2ccc(F)cc12 ZINC001276508373 1037146654 /nfs/dbraw/zinc/14/66/54/1037146654.db2.gz ACDQENDIHUEKFX-QZTJIDSGSA-N 1 2 355.417 2.571 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001207158192 1037207846 /nfs/dbraw/zinc/20/78/46/1037207846.db2.gz KQDJCIBDAWFKMX-SJLPKXTDSA-N 1 2 357.498 2.972 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001207158192 1037207859 /nfs/dbraw/zinc/20/78/59/1037207859.db2.gz KQDJCIBDAWFKMX-SJLPKXTDSA-N 1 2 357.498 2.972 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(CCCC)n1 ZINC001230327928 1037225103 /nfs/dbraw/zinc/22/51/03/1037225103.db2.gz NOFZAVSOAHORCO-ARFHVFGLSA-N 1 2 364.490 2.520 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)C[C@H]1C)OCC ZINC001207255325 1037287385 /nfs/dbraw/zinc/28/73/85/1037287385.db2.gz JPVSFZDOEWEDTO-DJIMGWMZSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1C)OCC ZINC001207255325 1037287402 /nfs/dbraw/zinc/28/74/02/1037287402.db2.gz JPVSFZDOEWEDTO-DJIMGWMZSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccn(C(C)C)n2)C[C@H]1C)OCC ZINC001207263403 1037294896 /nfs/dbraw/zinc/29/48/96/1037294896.db2.gz SDDKUOIQVYRRAI-BHIYHBOVSA-N 1 2 362.518 2.772 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(C)C)n2)C[C@H]1C)OCC ZINC001207263403 1037294909 /nfs/dbraw/zinc/29/49/09/1037294909.db2.gz SDDKUOIQVYRRAI-BHIYHBOVSA-N 1 2 362.518 2.772 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccnc1C(F)(F)F ZINC001276558284 1038077063 /nfs/dbraw/zinc/07/70/63/1038077063.db2.gz RNNVYNQBUWOJKP-KRWDZBQOSA-N 1 2 351.372 2.691 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccnc1C(F)(F)F ZINC001276558284 1038077080 /nfs/dbraw/zinc/07/70/80/1038077080.db2.gz RNNVYNQBUWOJKP-KRWDZBQOSA-N 1 2 351.372 2.691 20 30 FFEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)c(O)cc1F ZINC001276566642 1038163686 /nfs/dbraw/zinc/16/36/86/1038163686.db2.gz RALBESIBSWHXQN-LJQANCHMSA-N 1 2 363.408 2.931 20 30 FFEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)c(O)cc1F ZINC001276566642 1038163689 /nfs/dbraw/zinc/16/36/89/1038163689.db2.gz RALBESIBSWHXQN-LJQANCHMSA-N 1 2 363.408 2.931 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@@H+](Cc1ccc(C#N)c(Cl)c1)CC2 ZINC001232116131 1038179952 /nfs/dbraw/zinc/17/99/52/1038179952.db2.gz HHLBZSQRVKSGMP-UHFFFAOYSA-N 1 2 358.829 2.643 20 30 FFEDLO CCOC(=O)c1cnc2n1CC[N@H+](Cc1ccc(C#N)c(Cl)c1)CC2 ZINC001232116131 1038179958 /nfs/dbraw/zinc/17/99/58/1038179958.db2.gz HHLBZSQRVKSGMP-UHFFFAOYSA-N 1 2 358.829 2.643 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC001208318309 1038210862 /nfs/dbraw/zinc/21/08/62/1038210862.db2.gz RVGAGGBNCWFHGE-CZUORRHYSA-N 1 2 363.889 2.927 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC001208318309 1038210869 /nfs/dbraw/zinc/21/08/69/1038210869.db2.gz RVGAGGBNCWFHGE-CZUORRHYSA-N 1 2 363.889 2.927 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(CC(F)(F)F)n2)C[C@H]1C ZINC001208374492 1038263284 /nfs/dbraw/zinc/26/32/84/1038263284.db2.gz KYDICCJXCLCDAX-GDBMZVCRSA-N 1 2 370.419 2.576 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(CC(F)(F)F)n2)C[C@H]1C ZINC001208374492 1038263291 /nfs/dbraw/zinc/26/32/91/1038263291.db2.gz KYDICCJXCLCDAX-GDBMZVCRSA-N 1 2 370.419 2.576 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2CC)C[C@H]1C ZINC001208376883 1038266725 /nfs/dbraw/zinc/26/67/25/1038266725.db2.gz XOFHLKXQZMXUAH-YLJYHZDGSA-N 1 2 369.509 2.818 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2CC)C[C@H]1C ZINC001208376883 1038266739 /nfs/dbraw/zinc/26/67/39/1038266739.db2.gz XOFHLKXQZMXUAH-YLJYHZDGSA-N 1 2 369.509 2.818 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001208393885 1038280057 /nfs/dbraw/zinc/28/00/57/1038280057.db2.gz ZARAVRVTMXQLBD-FUHIMQAGSA-N 1 2 367.497 2.806 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001208393885 1038280071 /nfs/dbraw/zinc/28/00/71/1038280071.db2.gz ZARAVRVTMXQLBD-FUHIMQAGSA-N 1 2 367.497 2.806 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)cc1Br ZINC001236866442 1038316497 /nfs/dbraw/zinc/31/64/97/1038316497.db2.gz PFPGFUKWNWXWLN-OAHLLOKOSA-N 1 2 362.271 2.811 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C3CC3)C2)cc1Br ZINC001236866442 1038316508 /nfs/dbraw/zinc/31/65/08/1038316508.db2.gz PFPGFUKWNWXWLN-OAHLLOKOSA-N 1 2 362.271 2.811 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001208498333 1038360550 /nfs/dbraw/zinc/36/05/50/1038360550.db2.gz QGLVILRRUHSRGA-WIBUTAKZSA-N 1 2 361.461 2.803 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001208498333 1038360553 /nfs/dbraw/zinc/36/05/53/1038360553.db2.gz QGLVILRRUHSRGA-WIBUTAKZSA-N 1 2 361.461 2.803 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1C[C@H](C)OCc1ccccc1 ZINC001208701537 1038492086 /nfs/dbraw/zinc/49/20/86/1038492086.db2.gz VSIPFPHQVSEKCG-LPHOPBHVSA-N 1 2 356.470 2.522 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1C[C@H](C)OCc1ccccc1 ZINC001208701537 1038492087 /nfs/dbraw/zinc/49/20/87/1038492087.db2.gz VSIPFPHQVSEKCG-LPHOPBHVSA-N 1 2 356.470 2.522 20 30 FFEDLO C=CCN(CC[NH+]1CCN(C/C=C/c2ccccc2)CC1)C(=O)OCC ZINC001209017249 1038634494 /nfs/dbraw/zinc/63/44/94/1038634494.db2.gz MVHYIDFWGNGKAO-DHZHZOJOSA-N 1 2 357.498 2.962 20 30 FFEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](CC(=O)c1ccc(C#N)cc1)CC2 ZINC001276627249 1038732329 /nfs/dbraw/zinc/73/23/29/1038732329.db2.gz IZLICQHIAZZICO-GOSISDBHSA-N 1 2 351.450 2.535 20 30 FFEDLO N#Cc1ccc(C(=O)C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2CCCC2)cc1 ZINC001276627547 1038733330 /nfs/dbraw/zinc/73/33/30/1038733330.db2.gz NJGMUWVEQSYABC-RTBURBONSA-N 1 2 351.450 2.749 20 30 FFEDLO N#Cc1ccc(C(=O)C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2CCCC2)cc1 ZINC001276627547 1038733335 /nfs/dbraw/zinc/73/33/35/1038733335.db2.gz NJGMUWVEQSYABC-RTBURBONSA-N 1 2 351.450 2.749 20 30 FFEDLO N#Cc1ccc(Cl)c(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)c1 ZINC001278611592 1038782352 /nfs/dbraw/zinc/78/23/52/1038782352.db2.gz GSCBJQLFAMTIAX-MOPGFXCFSA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1ccc(Cl)c(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)c1 ZINC001278611592 1038782369 /nfs/dbraw/zinc/78/23/69/1038782369.db2.gz GSCBJQLFAMTIAX-MOPGFXCFSA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1sc(-c2ccc(F)cc2)cc1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251004435 1038891330 /nfs/dbraw/zinc/89/13/30/1038891330.db2.gz VBVOJFLUPUJYBZ-HNNXBMFYSA-N 1 2 361.442 2.531 20 30 FFEDLO N#Cc1cccc(C(=O)N2CC3(C2)CC[N@H+](CCCC(F)(F)F)C3)c1O ZINC001279075223 1039176574 /nfs/dbraw/zinc/17/65/74/1039176574.db2.gz HAATZRZMHAGEJX-UHFFFAOYSA-N 1 2 367.371 2.754 20 30 FFEDLO N#Cc1cccc(C(=O)N2CC3(C2)CC[N@@H+](CCCC(F)(F)F)C3)c1O ZINC001279075223 1039176583 /nfs/dbraw/zinc/17/65/83/1039176583.db2.gz HAATZRZMHAGEJX-UHFFFAOYSA-N 1 2 367.371 2.754 20 30 FFEDLO Cc1ncsc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(C#N)c1O ZINC001279075583 1039178429 /nfs/dbraw/zinc/17/84/29/1039178429.db2.gz QKMLISRPLPOGHP-HOTGVXAUSA-N 1 2 368.462 2.518 20 30 FFEDLO Cc1ncsc1C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(C#N)c1O ZINC001279075583 1039178434 /nfs/dbraw/zinc/17/84/34/1039178434.db2.gz QKMLISRPLPOGHP-HOTGVXAUSA-N 1 2 368.462 2.518 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCCOC2)C1 ZINC001209876987 1039271151 /nfs/dbraw/zinc/27/11/51/1039271151.db2.gz IQGKSKSHROWIIF-BPLDGKMQSA-N 1 2 359.308 2.538 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCCOC2)C1 ZINC001209876987 1039271164 /nfs/dbraw/zinc/27/11/64/1039271164.db2.gz IQGKSKSHROWIIF-BPLDGKMQSA-N 1 2 359.308 2.538 20 30 FFEDLO CCCCCCCC[C@H](O)C[N@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001252127668 1039441984 /nfs/dbraw/zinc/44/19/84/1039441984.db2.gz DBAOCSCEQKFKHJ-SJORKVTESA-N 1 2 352.523 2.862 20 30 FFEDLO CCCCCCCC[C@H](O)C[N@@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001252127668 1039441994 /nfs/dbraw/zinc/44/19/94/1039441994.db2.gz DBAOCSCEQKFKHJ-SJORKVTESA-N 1 2 352.523 2.862 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NCc2c[nH+]cn2C2CCC2)c(Cl)c1 ZINC001259115741 1039724017 /nfs/dbraw/zinc/72/40/17/1039724017.db2.gz AOCBCZPHGLJTTB-UHFFFAOYSA-N 1 2 350.831 2.612 20 30 FFEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259416898 1039986403 /nfs/dbraw/zinc/98/64/03/1039986403.db2.gz SSUMIPDZGZOABM-UHFFFAOYSA-N 1 2 370.409 2.704 20 30 FFEDLO C=CCCCCCC[C@H](O)C[N@@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001253238617 1040061566 /nfs/dbraw/zinc/06/15/66/1040061566.db2.gz SHAROSYDBJFGAR-IRXDYDNUSA-N 1 2 350.507 2.638 20 30 FFEDLO C=CCCCCCC[C@H](O)C[N@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001253238617 1040061580 /nfs/dbraw/zinc/06/15/80/1040061580.db2.gz SHAROSYDBJFGAR-IRXDYDNUSA-N 1 2 350.507 2.638 20 30 FFEDLO C=CCCCCCC[C@H](O)C[N@@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001253238618 1040062865 /nfs/dbraw/zinc/06/28/65/1040062865.db2.gz SHAROSYDBJFGAR-SJORKVTESA-N 1 2 350.507 2.638 20 30 FFEDLO C=CCCCCCC[C@H](O)C[N@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001253238618 1040062878 /nfs/dbraw/zinc/06/28/78/1040062878.db2.gz SHAROSYDBJFGAR-SJORKVTESA-N 1 2 350.507 2.638 20 30 FFEDLO C=CCn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C=CCC=C2C)cn1 ZINC001278709729 1040095268 /nfs/dbraw/zinc/09/52/68/1040095268.db2.gz KEEUWTIYZKFNCI-HSALFYBXSA-N 1 2 352.482 2.767 20 30 FFEDLO C=CCn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C=CCC=C2C)cn1 ZINC001278709729 1040095285 /nfs/dbraw/zinc/09/52/85/1040095285.db2.gz KEEUWTIYZKFNCI-HSALFYBXSA-N 1 2 352.482 2.767 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1C ZINC001211420602 1040179547 /nfs/dbraw/zinc/17/95/47/1040179547.db2.gz MQCYLBAEGOZSHP-VQIMIIECSA-N 1 2 360.502 2.527 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1C ZINC001211420602 1040179548 /nfs/dbraw/zinc/17/95/48/1040179548.db2.gz MQCYLBAEGOZSHP-VQIMIIECSA-N 1 2 360.502 2.527 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)c(OC)c(F)c2)C[C@H]1C ZINC001211420527 1040180374 /nfs/dbraw/zinc/18/03/74/1040180374.db2.gz JKMMKXBKLUJORW-CXAGYDPISA-N 1 2 368.424 2.503 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)c(OC)c(F)c2)C[C@H]1C ZINC001211420527 1040180382 /nfs/dbraw/zinc/18/03/82/1040180382.db2.gz JKMMKXBKLUJORW-CXAGYDPISA-N 1 2 368.424 2.503 20 30 FFEDLO N#Cc1cc(O)ccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001213487074 1040602371 /nfs/dbraw/zinc/60/23/71/1040602371.db2.gz FQLYKRPNELHKPJ-UHFFFAOYSA-N 1 2 357.385 2.858 20 30 FFEDLO Cc1c[nH+]cc(Nc2c(C#N)cnn2-c2ccc(S(C)(=O)=O)cc2)c1C ZINC001213527622 1040644313 /nfs/dbraw/zinc/64/43/13/1040644313.db2.gz WHMYMUSDLIAKRK-UHFFFAOYSA-N 1 2 367.434 2.903 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H](C)CC(C)(C)C ZINC001213538079 1040656509 /nfs/dbraw/zinc/65/65/09/1040656509.db2.gz CDNBIQYAZJOARB-MISYRCLQSA-N 1 2 356.510 2.926 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H](C)CC(C)(C)C ZINC001213538079 1040656514 /nfs/dbraw/zinc/65/65/14/1040656514.db2.gz CDNBIQYAZJOARB-MISYRCLQSA-N 1 2 356.510 2.926 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3cc(C)no3)C[C@H]2OC)CCCCC1 ZINC001213567221 1040680359 /nfs/dbraw/zinc/68/03/59/1040680359.db2.gz PEUYKEKVBKIHCM-QZTJIDSGSA-N 1 2 361.486 2.825 20 30 FFEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](Cc3cc(C)no3)C[C@H]2OC)CCCCC1 ZINC001213567221 1040680370 /nfs/dbraw/zinc/68/03/70/1040680370.db2.gz PEUYKEKVBKIHCM-QZTJIDSGSA-N 1 2 361.486 2.825 20 30 FFEDLO COc1ccc2[nH]c(C[N@@H+]3CCCN(c4ccc(C#N)cn4)CC3)nc2c1 ZINC001249414547 1040736841 /nfs/dbraw/zinc/73/68/41/1040736841.db2.gz MNBKAZDUDBUHLV-UHFFFAOYSA-N 1 2 362.437 2.550 20 30 FFEDLO COc1ccc2[nH]c(C[N@H+]3CCCN(c4ccc(C#N)cn4)CC3)nc2c1 ZINC001249414547 1040736858 /nfs/dbraw/zinc/73/68/58/1040736858.db2.gz MNBKAZDUDBUHLV-UHFFFAOYSA-N 1 2 362.437 2.550 20 30 FFEDLO C=CCO[C@H]1CCN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC001254631588 1040850107 /nfs/dbraw/zinc/85/01/07/1040850107.db2.gz XWIIHRRQCYMKGT-FQEVSTJZSA-N 1 2 372.513 2.708 20 30 FFEDLO CC(C)(C)OC(=O)NCC1C[NH+]([C@@H]2CCCN([C@@H]3CC[C@@H](C#N)C3)C2)C1 ZINC001254673571 1040869450 /nfs/dbraw/zinc/86/94/50/1040869450.db2.gz MQWGLFOESFXAKT-KBAYOESNSA-N 1 2 362.518 2.600 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1OC ZINC001213895399 1041038327 /nfs/dbraw/zinc/03/83/27/1041038327.db2.gz YJCGRJDAWCSETM-ASJIFVHMSA-N 1 2 362.901 2.989 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1OC ZINC001213895399 1041038341 /nfs/dbraw/zinc/03/83/41/1041038341.db2.gz YJCGRJDAWCSETM-ASJIFVHMSA-N 1 2 362.901 2.989 20 30 FFEDLO O=C1C=C2C[N@H+](C3C[C@@H]4COC[C@H](C3)N4Cc3ccccc3)CC[C@@H]2S1 ZINC001255005878 1041098591 /nfs/dbraw/zinc/09/85/91/1041098591.db2.gz WYZPKKHAERDVLK-NXEWRWPSSA-N 1 2 370.518 2.693 20 30 FFEDLO O=C1C=C2C[N@@H+](C3C[C@@H]4COC[C@H](C3)N4Cc3ccccc3)CC[C@@H]2S1 ZINC001255005878 1041098606 /nfs/dbraw/zinc/09/86/06/1041098606.db2.gz WYZPKKHAERDVLK-NXEWRWPSSA-N 1 2 370.518 2.693 20 30 FFEDLO C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1[NH2+]Cc1noc(-c2ccccc2)n1 ZINC001214591171 1041496231 /nfs/dbraw/zinc/49/62/31/1041496231.db2.gz PTNDYVRIOUGTBI-NVXWUHKLSA-N 1 2 366.465 2.723 20 30 FFEDLO C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC001215634961 1041847729 /nfs/dbraw/zinc/84/77/29/1041847729.db2.gz WXLHIEVGFOLBGE-JLTOFOAXSA-N 1 2 366.440 2.528 20 30 FFEDLO Cn1c(N2CC[NH+](Cc3cccc(Cl)c3)CC2)nnc1C(C)(C)C#N ZINC001262852225 1041902137 /nfs/dbraw/zinc/90/21/37/1041902137.db2.gz JSVSCOVLHYYGEX-UHFFFAOYSA-N 1 2 358.877 2.592 20 30 FFEDLO CCO[C@@H]1C[C@@H](N(C)c2nnc(C3CC[NH+](CCC#N)CC3)n2C)C1(C)C ZINC001262873532 1041918676 /nfs/dbraw/zinc/91/86/76/1041918676.db2.gz LENMAPNQLYCOGQ-IAGOWNOFSA-N 1 2 374.533 2.548 20 30 FFEDLO CN(Cc1cccc(F)c1)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001262873929 1041920233 /nfs/dbraw/zinc/92/02/33/1041920233.db2.gz YPMBOXDWXKQEBG-UHFFFAOYSA-N 1 2 356.449 2.684 20 30 FFEDLO C=CCn1c(N(C)Cc2c(C)cccc2C)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001262988338 1042011615 /nfs/dbraw/zinc/01/16/15/1042011615.db2.gz PZKLBNDXPXTTJG-LAUBAEHRSA-N 1 2 369.513 2.629 20 30 FFEDLO C=CCn1c(N(C)Cc2c(C)cccc2C)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001262988338 1042011622 /nfs/dbraw/zinc/01/16/22/1042011622.db2.gz PZKLBNDXPXTTJG-LAUBAEHRSA-N 1 2 369.513 2.629 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1ccc(C)o1 ZINC001263024626 1042042735 /nfs/dbraw/zinc/04/27/35/1042042735.db2.gz CHOKBHZIYKKAHU-UHFFFAOYSA-N 1 2 356.474 2.929 20 30 FFEDLO N#C[C@@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)C1 ZINC001263163145 1042142809 /nfs/dbraw/zinc/14/28/09/1042142809.db2.gz IDXFLFRLRSFQFW-SFHVURJKSA-N 1 2 350.470 2.662 20 30 FFEDLO C=C(C)Cn1c(N(C)[C@H](C)c2ccco2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001263285774 1042221390 /nfs/dbraw/zinc/22/13/90/1042221390.db2.gz NZYNGNYQSGPMEH-ZRGWGRIASA-N 1 2 359.474 2.556 20 30 FFEDLO C=C(C)Cn1c(N(C)[C@H](C)c2ccco2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001263285774 1042221391 /nfs/dbraw/zinc/22/13/91/1042221391.db2.gz NZYNGNYQSGPMEH-ZRGWGRIASA-N 1 2 359.474 2.556 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC[C@@H](OCC2CC2)C1 ZINC001263287916 1042222546 /nfs/dbraw/zinc/22/25/46/1042222546.db2.gz YOKNUMUEXSWTQY-GOSISDBHSA-N 1 2 359.518 2.845 20 30 FFEDLO C=C(C)Cn1c(CCCCC#N)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001263305940 1042232439 /nfs/dbraw/zinc/23/24/39/1042232439.db2.gz MDCQNUMEMTZYPR-UHFFFAOYSA-N 1 2 365.485 2.812 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@](C)(C(F)F)C1 ZINC001263341628 1042250368 /nfs/dbraw/zinc/25/03/68/1042250368.db2.gz UAIQPUVMNDQKQG-KDOFPFPSSA-N 1 2 369.460 2.871 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@](C)(C(F)F)C1 ZINC001263341628 1042250370 /nfs/dbraw/zinc/25/03/70/1042250370.db2.gz UAIQPUVMNDQKQG-KDOFPFPSSA-N 1 2 369.460 2.871 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@H](CCF)C1 ZINC001263341749 1042250469 /nfs/dbraw/zinc/25/04/69/1042250469.db2.gz XNMSHQRYPALIHB-HZPDHXFCSA-N 1 2 351.470 2.576 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@H](CCF)C1 ZINC001263341749 1042250476 /nfs/dbraw/zinc/25/04/76/1042250476.db2.gz XNMSHQRYPALIHB-HZPDHXFCSA-N 1 2 351.470 2.576 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1cc(C)on1 ZINC001263343909 1042251550 /nfs/dbraw/zinc/25/15/50/1042251550.db2.gz NFQBHVSQXGTXAW-KRWDZBQOSA-N 1 2 374.489 2.569 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1cc(C)on1 ZINC001263343909 1042251551 /nfs/dbraw/zinc/25/15/51/1042251551.db2.gz NFQBHVSQXGTXAW-KRWDZBQOSA-N 1 2 374.489 2.569 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2CCCOCC)C1 ZINC001263368850 1042266288 /nfs/dbraw/zinc/26/62/88/1042266288.db2.gz FRUAKCKCSLUZTH-ROUUACIJSA-N 1 2 359.518 2.711 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc([C@@H]3CCC[N@H+]3C)n2CCCOCC)C1 ZINC001263368850 1042266293 /nfs/dbraw/zinc/26/62/93/1042266293.db2.gz FRUAKCKCSLUZTH-ROUUACIJSA-N 1 2 359.518 2.711 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@H+](Cc2ncc(C(C)(C)C)o2)[C@@H]1CC ZINC001264050685 1042598916 /nfs/dbraw/zinc/59/89/16/1042598916.db2.gz XLJMEDUCJZVXGZ-BXTJHSDWSA-N 1 2 363.502 2.768 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C(C)(C)C)o2)[C@@H]1CC ZINC001264050685 1042598919 /nfs/dbraw/zinc/59/89/19/1042598919.db2.gz XLJMEDUCJZVXGZ-BXTJHSDWSA-N 1 2 363.502 2.768 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C(C)C)no3)CC[C@@H]2C1 ZINC001264094339 1042622293 /nfs/dbraw/zinc/62/22/93/1042622293.db2.gz DUIAXEBIPCYFMV-SJORKVTESA-N 1 2 358.486 2.667 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H]2C[N@H+](Cc3nc(C(C)C)no3)CC[C@@H]2C1 ZINC001264094339 1042622294 /nfs/dbraw/zinc/62/22/94/1042622294.db2.gz DUIAXEBIPCYFMV-SJORKVTESA-N 1 2 358.486 2.667 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)cn2)C[C@H]1c1ccccc1 ZINC001264444063 1042671013 /nfs/dbraw/zinc/67/10/13/1042671013.db2.gz GRYRWFMNPONTQQ-RBUKOAKNSA-N 1 2 350.466 2.835 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ncc(C)cn2)C[C@H]1c1ccccc1 ZINC001264444063 1042671015 /nfs/dbraw/zinc/67/10/15/1042671015.db2.gz GRYRWFMNPONTQQ-RBUKOAKNSA-N 1 2 350.466 2.835 20 30 FFEDLO CCc1nc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@H](C)C#N)C2)cs1 ZINC001264444275 1042671999 /nfs/dbraw/zinc/67/19/99/1042671999.db2.gz NNFOOGVMJIPKSO-FHLIZLRMSA-N 1 2 368.506 2.949 20 30 FFEDLO CCc1nc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@H](C)C#N)C2)cs1 ZINC001264444275 1042672004 /nfs/dbraw/zinc/67/20/04/1042672004.db2.gz NNFOOGVMJIPKSO-FHLIZLRMSA-N 1 2 368.506 2.949 20 30 FFEDLO Cc1ccccc1NC(=O)C[N@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)[C@H]1C ZINC001264700180 1042786168 /nfs/dbraw/zinc/78/61/68/1042786168.db2.gz WEIZESBOQJWQDI-AEFFLSMTSA-N 1 2 355.482 2.562 20 30 FFEDLO Cc1ccccc1NC(=O)C[N@@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)[C@H]1C ZINC001264700180 1042786173 /nfs/dbraw/zinc/78/61/73/1042786173.db2.gz WEIZESBOQJWQDI-AEFFLSMTSA-N 1 2 355.482 2.562 20 30 FFEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccc3ncnc(Cl)c3c2)CC1 ZINC001237588693 1043256915 /nfs/dbraw/zinc/25/69/15/1043256915.db2.gz QDMJRGICUXQXFV-UHFFFAOYSA-N 1 2 358.829 2.952 20 30 FFEDLO CCCc1ccc(C[NH+]2CC3(CCN3C(=O)C3(C#N)CCOCC3)C2)s1 ZINC001279583889 1043295409 /nfs/dbraw/zinc/29/54/09/1043295409.db2.gz WASIFUMOIWDKNG-UHFFFAOYSA-N 1 2 373.522 2.808 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccccc3Oc3cnccn3)CC2)c1 ZINC001238012606 1043483677 /nfs/dbraw/zinc/48/36/77/1043483677.db2.gz BPCZAVQDKOMWOF-UHFFFAOYSA-N 1 2 372.432 2.858 20 30 FFEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)cc1C(=O)OC ZINC001309763036 1043513630 /nfs/dbraw/zinc/51/36/30/1043513630.db2.gz LTLPJSJWSRHUND-UHFFFAOYSA-N 1 2 373.434 2.735 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)c3ccccc32)C1 ZINC001309844472 1043551621 /nfs/dbraw/zinc/55/16/21/1043551621.db2.gz PRXIVIQNUSXPBO-AWEZNQCLSA-N 1 2 362.882 2.869 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)c3ccccc32)C1 ZINC001309844472 1043551625 /nfs/dbraw/zinc/55/16/25/1043551625.db2.gz PRXIVIQNUSXPBO-AWEZNQCLSA-N 1 2 362.882 2.869 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3oc4ccccc4c3c2)C1 ZINC001309844973 1043552349 /nfs/dbraw/zinc/55/23/49/1043552349.db2.gz ZGKDYJMDYUHYRY-OAHLLOKOSA-N 1 2 368.458 2.962 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3oc4ccccc4c3c2)C1 ZINC001309844973 1043552360 /nfs/dbraw/zinc/55/23/60/1043552360.db2.gz ZGKDYJMDYUHYRY-OAHLLOKOSA-N 1 2 368.458 2.962 20 30 FFEDLO N#CCC1CN(C(=O)[C@@H]2CC23C[NH+](Cc2ccc(Br)cc2)C3)C1 ZINC001279736874 1043557993 /nfs/dbraw/zinc/55/79/93/1043557993.db2.gz OGUPAGFSWIQKOD-INIZCTEOSA-N 1 2 374.282 2.643 20 30 FFEDLO Cn1cc(C[N@@H+]2CCO[C@]3(CCCN(c4ccsc4)C3)C2)cc1C#N ZINC001279749066 1043581407 /nfs/dbraw/zinc/58/14/07/1043581407.db2.gz SWLBQABCGHDIHB-LJQANCHMSA-N 1 2 356.495 2.830 20 30 FFEDLO Cn1cc(C[N@H+]2CCO[C@]3(CCCN(c4ccsc4)C3)C2)cc1C#N ZINC001279749066 1043581410 /nfs/dbraw/zinc/58/14/10/1043581410.db2.gz SWLBQABCGHDIHB-LJQANCHMSA-N 1 2 356.495 2.830 20 30 FFEDLO Cc1cccc(C)c1C[NH+]1CC2(C1)CC[C@H](C(=O)NC1(C#N)CCC1)O2 ZINC001280015788 1044089596 /nfs/dbraw/zinc/08/95/96/1044089596.db2.gz BZAYVNKLSPJTJI-GOSISDBHSA-N 1 2 353.466 2.599 20 30 FFEDLO CC(C)(C)NC(=O)[C@H]1CC12C[NH+](Cc1sc(N)c(C#N)c1Cl)C2 ZINC001280076986 1044176253 /nfs/dbraw/zinc/17/62/53/1044176253.db2.gz MKBZVAXOZKWCQK-SNVBAGLBSA-N 1 2 352.891 2.592 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(c4ccc(C(F)(F)F)cn4)C3)C2)cc1C#N ZINC001280088165 1044189428 /nfs/dbraw/zinc/18/94/28/1044189428.db2.gz NZBGUHUGURXZHW-UHFFFAOYSA-N 1 2 361.371 2.633 20 30 FFEDLO C[C@@H]1c2nc(C(=O)N3CC(CC#N)C3)cn2CC[N@H+]1C[C@@H]1CC=CCC1 ZINC001280237441 1044447490 /nfs/dbraw/zinc/44/74/90/1044447490.db2.gz RKPKYUPOQQZTHS-HZPDHXFCSA-N 1 2 353.470 2.602 20 30 FFEDLO C[C@@H]1c2nc(C(=O)N3CC(CC#N)C3)cn2CC[N@@H+]1C[C@@H]1CC=CCC1 ZINC001280237441 1044447495 /nfs/dbraw/zinc/44/74/95/1044447495.db2.gz RKPKYUPOQQZTHS-HZPDHXFCSA-N 1 2 353.470 2.602 20 30 FFEDLO CCc1ccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C#CC(C)C)[C@H]2CC)cc1 ZINC001316730385 1044853578 /nfs/dbraw/zinc/85/35/78/1044853578.db2.gz NIIDNBGLKGUFPU-VQTJNVASSA-N 1 2 369.509 2.816 20 30 FFEDLO CCc1ccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C#CC(C)C)[C@H]2CC)cc1 ZINC001316730385 1044853596 /nfs/dbraw/zinc/85/35/96/1044853596.db2.gz NIIDNBGLKGUFPU-VQTJNVASSA-N 1 2 369.509 2.816 20 30 FFEDLO Cc1cnc(-c2ccc(OCC[NH+]3CCOCC3)cc2F)c(/C=N/O)c1 ZINC001244135407 1045085548 /nfs/dbraw/zinc/08/55/48/1045085548.db2.gz JOMRPSQLSCORPJ-LPYMAVHISA-N 1 2 359.401 2.715 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001281771548 1045104238 /nfs/dbraw/zinc/10/42/38/1045104238.db2.gz GUTKTGDMSMRKKW-ZACQAIPSSA-N 1 2 360.502 2.646 20 30 FFEDLO C=CC1(CC(=O)N2C[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)CCCCC1 ZINC001281973124 1045275507 /nfs/dbraw/zinc/27/55/07/1045275507.db2.gz RDLWSAQPOPKHJW-IAGOWNOFSA-N 1 2 370.497 2.538 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2C[C@H]2CCCCS2)CC1 ZINC001539451958 1070640610 /nfs/dbraw/zinc/64/06/10/1070640610.db2.gz GXAYFSGBVMYVNR-QGZVFWFLSA-N 1 2 361.559 2.518 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCS2)CC1 ZINC001539454171 1070642024 /nfs/dbraw/zinc/64/20/24/1070642024.db2.gz IKCHPGWNMPFVDN-SFHVURJKSA-N 1 2 373.570 2.662 20 30 FFEDLO CC(C)(C)C#CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001282117054 1045353347 /nfs/dbraw/zinc/35/33/47/1045353347.db2.gz FGEPBMWCRQCXRF-GOEBONIOSA-N 1 2 366.465 2.627 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001282219013 1045430105 /nfs/dbraw/zinc/43/01/05/1045430105.db2.gz QEGUEHFWAWADIC-IKGGRYGDSA-N 1 2 360.502 2.688 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1C1CC1)C1CC[NH+]([C@@H](C)c2nnc(CC)o2)CC1 ZINC001324425923 1046020685 /nfs/dbraw/zinc/02/06/85/1046020685.db2.gz BTOXKFSKJFNPJX-JCGIZDLHSA-N 1 2 370.497 2.665 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1C1CC1)C1CC[NH+]([C@H](C)c2nnc(CC)o2)CC1 ZINC001324425921 1046021749 /nfs/dbraw/zinc/02/17/49/1046021749.db2.gz BTOXKFSKJFNPJX-FHLIZLRMSA-N 1 2 370.497 2.665 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001282669992 1046046363 /nfs/dbraw/zinc/04/63/63/1046046363.db2.gz FQIKCAZBMQDHFE-VSZNYVQBSA-N 1 2 372.513 2.931 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001282669991 1046046938 /nfs/dbraw/zinc/04/69/38/1046046938.db2.gz FQIKCAZBMQDHFE-OWSLCNJRSA-N 1 2 372.513 2.931 20 30 FFEDLO C=CCC1(C(=O)N2CCC[C@@H]2CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001285157258 1046744770 /nfs/dbraw/zinc/74/47/70/1046744770.db2.gz SHIHFFZGWAIXSZ-BRWVUGGUSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCC1(C(=O)N2CCC[C@@H]2CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001285157258 1046744782 /nfs/dbraw/zinc/74/47/82/1046744782.db2.gz SHIHFFZGWAIXSZ-BRWVUGGUSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC(F)(F)C(F)F)C1 ZINC001326385581 1046910410 /nfs/dbraw/zinc/91/04/10/1046910410.db2.gz FEZMYPOZCKNLOL-IHRRRGAJSA-N 1 2 366.399 2.696 20 30 FFEDLO C#CCN(C)c1nnc(-c2ccccn2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001286369974 1047088500 /nfs/dbraw/zinc/08/85/00/1047088500.db2.gz KIIZOXSDURXHEV-UHFFFAOYSA-N 1 2 369.432 2.644 20 30 FFEDLO C#CCN(C)c1nnc(CC(C)C)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001286373764 1047093288 /nfs/dbraw/zinc/09/32/88/1047093288.db2.gz QWSMLIBZDFYVAR-UHFFFAOYSA-N 1 2 366.513 2.980 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)C[C@H]1c1ccccc1 ZINC001316643925 1047354169 /nfs/dbraw/zinc/35/41/69/1047354169.db2.gz ZZKVSZIWJPGFRA-FHLIZLRMSA-N 1 2 364.449 2.796 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1c1ccccc1 ZINC001316643925 1047354178 /nfs/dbraw/zinc/35/41/78/1047354178.db2.gz ZZKVSZIWJPGFRA-FHLIZLRMSA-N 1 2 364.449 2.796 20 30 FFEDLO C#CCC1(O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001331835764 1048135731 /nfs/dbraw/zinc/13/57/31/1048135731.db2.gz DEXXFUYNKBNNIW-UHFFFAOYSA-N 1 2 353.216 2.708 20 30 FFEDLO C#CCC1(NC(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)CCOCC1 ZINC001332407558 1048381751 /nfs/dbraw/zinc/38/17/51/1048381751.db2.gz FPSOYOSAPIIJNM-UHFFFAOYSA-N 1 2 352.438 2.995 20 30 FFEDLO C=C(C)C[C@H]([NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)C(=O)OCC ZINC001332724524 1048528549 /nfs/dbraw/zinc/52/85/49/1048528549.db2.gz MDGWUDYLSLWODK-HNNXBMFYSA-N 1 2 352.475 2.873 20 30 FFEDLO N#C[C@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C1CCCC1 ZINC001333459702 1048913400 /nfs/dbraw/zinc/91/34/00/1048913400.db2.gz AKAGYMVBBJIGLT-SFHVURJKSA-N 1 2 365.437 2.724 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2csc(Cc3ccc(C)cc3)n2)CC1 ZINC001293715814 1049615178 /nfs/dbraw/zinc/61/51/78/1049615178.db2.gz LYVHOPRBIPLSCM-UHFFFAOYSA-N 1 2 353.491 2.823 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2csc(Cc3ccc(C)cc3)n2)CC1 ZINC001293715814 1049615179 /nfs/dbraw/zinc/61/51/79/1049615179.db2.gz LYVHOPRBIPLSCM-UHFFFAOYSA-N 1 2 353.491 2.823 20 30 FFEDLO C=C1CCC(C(=O)N(CC)CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001294480416 1049755178 /nfs/dbraw/zinc/75/51/78/1049755178.db2.gz WWPDKPFOMHUYBW-IAGOWNOFSA-N 1 2 358.486 2.614 20 30 FFEDLO C=C1CCC(C(=O)N(CC)CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001294480416 1049755184 /nfs/dbraw/zinc/75/51/84/1049755184.db2.gz WWPDKPFOMHUYBW-IAGOWNOFSA-N 1 2 358.486 2.614 20 30 FFEDLO C=CC[C@@H](NC(=O)C[N@H+](CC)Cc1ccccc1Cl)C(=O)OCC ZINC001296236199 1050040301 /nfs/dbraw/zinc/04/03/01/1050040301.db2.gz GGDZNCXCKKXYKN-MRXNPFEDSA-N 1 2 352.862 2.786 20 30 FFEDLO C=CC[C@@H](NC(=O)C[N@@H+](CC)Cc1ccccc1Cl)C(=O)OCC ZINC001296236199 1050040304 /nfs/dbraw/zinc/04/03/04/1050040304.db2.gz GGDZNCXCKKXYKN-MRXNPFEDSA-N 1 2 352.862 2.786 20 30 FFEDLO CC[C@@H]1[C@@H](C)CCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CCOC ZINC001341570835 1050197880 /nfs/dbraw/zinc/19/78/80/1050197880.db2.gz JCXSDXIZMWWUSF-FUHWJXTLSA-N 1 2 374.533 2.642 20 30 FFEDLO C=CCn1c(N2CC[C@H](C3CCCCC3)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001339857657 1050275161 /nfs/dbraw/zinc/27/51/61/1050275161.db2.gz XITZVTZUJAYIID-BBTUJRGHSA-N 1 2 373.545 2.782 20 30 FFEDLO C=CCn1c(N2CC[C@H](C3CCCCC3)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339857657 1050275176 /nfs/dbraw/zinc/27/51/76/1050275176.db2.gz XITZVTZUJAYIID-BBTUJRGHSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N(Cc2ccco2)C(C)C)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001341739625 1050357817 /nfs/dbraw/zinc/35/78/17/1050357817.db2.gz LLOZKGMZOFZZQP-UZLBHIALSA-N 1 2 373.501 2.774 20 30 FFEDLO C=C(C)Cn1c(N(Cc2ccco2)C(C)C)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001341739625 1050357826 /nfs/dbraw/zinc/35/78/26/1050357826.db2.gz LLOZKGMZOFZZQP-UZLBHIALSA-N 1 2 373.501 2.774 20 30 FFEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCOCC1 ZINC001341901904 1050502543 /nfs/dbraw/zinc/50/25/43/1050502543.db2.gz FNPFLXMKZSLYKN-KRWDZBQOSA-N 1 2 355.486 2.884 20 30 FFEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCOCC1 ZINC001341901904 1050502554 /nfs/dbraw/zinc/50/25/54/1050502554.db2.gz FNPFLXMKZSLYKN-KRWDZBQOSA-N 1 2 355.486 2.884 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(F)(F)CC1 ZINC001340195509 1050604483 /nfs/dbraw/zinc/60/44/83/1050604483.db2.gz MBOOMEPHNDCYFC-CABCVRRESA-N 1 2 367.444 2.625 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(F)(F)CC1 ZINC001340195509 1050604491 /nfs/dbraw/zinc/60/44/91/1050604491.db2.gz MBOOMEPHNDCYFC-CABCVRRESA-N 1 2 367.444 2.625 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC(C)(F)CC1 ZINC001342012388 1050609198 /nfs/dbraw/zinc/60/91/98/1050609198.db2.gz FXCBBNRKZHNBJE-JKSUJKDBSA-N 1 2 363.481 2.718 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC(C)(F)CC1 ZINC001342012388 1050609207 /nfs/dbraw/zinc/60/92/07/1050609207.db2.gz FXCBBNRKZHNBJE-JKSUJKDBSA-N 1 2 363.481 2.718 20 30 FFEDLO C=CCn1c([C@H](CC)OCC)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001340361484 1050755576 /nfs/dbraw/zinc/75/55/76/1050755576.db2.gz ZBAWWYNDTWTXAV-KRWDZBQOSA-N 1 2 374.489 2.570 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCN(c2cccs2)CC1 ZINC001340421573 1050816553 /nfs/dbraw/zinc/81/65/53/1050816553.db2.gz KHZIYWOQHAVYSR-UHFFFAOYSA-N 1 2 372.542 2.838 20 30 FFEDLO C=CCCCn1c(CC2CC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001301227603 1050839783 /nfs/dbraw/zinc/83/97/83/1050839783.db2.gz SKUKMJJGDIVFJN-UHFFFAOYSA-N 1 2 352.486 2.918 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC2(CCC2)OC[C@@H]1C ZINC001342340685 1050934195 /nfs/dbraw/zinc/93/41/95/1050934195.db2.gz GAQXUMZQFXRYJA-KRWDZBQOSA-N 1 2 359.518 2.988 20 30 FFEDLO C=CCn1c(N2CC=C(C(C)(C)C)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340569734 1050955667 /nfs/dbraw/zinc/95/56/67/1050955667.db2.gz DTZAYXBJBIRCKA-UZLBHIALSA-N 1 2 359.518 2.558 20 30 FFEDLO C=CCn1c(N2CC=C(C(C)(C)C)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340569734 1050955675 /nfs/dbraw/zinc/95/56/75/1050955675.db2.gz DTZAYXBJBIRCKA-UZLBHIALSA-N 1 2 359.518 2.558 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCc2ccc(CC)cc2C1 ZINC001342417112 1051011744 /nfs/dbraw/zinc/01/17/44/1051011744.db2.gz ZCLKSEYNPODIRQ-UHFFFAOYSA-N 1 2 362.481 2.914 20 30 FFEDLO C=CCn1c(N2Cc3ccc(Cl)cc3C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001340701529 1051066707 /nfs/dbraw/zinc/06/67/07/1051066707.db2.gz MWJYKUYOFXNZPB-LPHOPBHVSA-N 1 2 373.888 2.549 20 30 FFEDLO C=CCn1c(N2Cc3ccc(Cl)cc3C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001340701529 1051066716 /nfs/dbraw/zinc/06/67/16/1051066716.db2.gz MWJYKUYOFXNZPB-LPHOPBHVSA-N 1 2 373.888 2.549 20 30 FFEDLO C=CCn1c(N2Cc3ccccc3[C@@H]2CC)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001340714735 1051075932 /nfs/dbraw/zinc/07/59/32/1051075932.db2.gz CICAAGADNIINSD-MDKPJZGXSA-N 1 2 367.497 2.847 20 30 FFEDLO C=CCn1c(N2Cc3ccccc3[C@@H]2CC)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001340714735 1051075943 /nfs/dbraw/zinc/07/59/43/1051075943.db2.gz CICAAGADNIINSD-MDKPJZGXSA-N 1 2 367.497 2.847 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001342542948 1051145582 /nfs/dbraw/zinc/14/55/82/1051145582.db2.gz RBIKZDMHNPNMCZ-UHFFFAOYSA-N 1 2 366.391 2.877 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@H](C)OC2(CCC2)C1 ZINC001342685873 1051298367 /nfs/dbraw/zinc/29/83/67/1051298367.db2.gz NQTWNQBUVIDVEH-INIZCTEOSA-N 1 2 372.517 2.539 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC(C)=C(C)C1 ZINC001342799280 1051407727 /nfs/dbraw/zinc/40/77/27/1051407727.db2.gz YBGRGKQMYSCPOG-UHFFFAOYSA-N 1 2 359.518 2.605 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(C(F)F)c(F)c3)CC2)c1C#N ZINC001343039596 1051655986 /nfs/dbraw/zinc/65/59/86/1051655986.db2.gz LTHWAONHZZNGAE-UHFFFAOYSA-N 1 2 363.387 2.999 20 30 FFEDLO C=CCC[C@H]1CCCN1c1nnc(Cc2[nH+]ccn2C)n1C[C@@H]1CCCO1 ZINC001343135816 1051756992 /nfs/dbraw/zinc/75/69/92/1051756992.db2.gz CABVWAXEBDAXBS-IRXDYDNUSA-N 1 2 370.501 2.716 20 30 FFEDLO C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC[N@H+]3C)n2Cc2ccccc2)C1 ZINC001341419404 1051777452 /nfs/dbraw/zinc/77/74/52/1051777452.db2.gz YRGWPAJOFIKGRW-MOPGFXCFSA-N 1 2 367.497 2.874 20 30 FFEDLO C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2Cc2ccccc2)C1 ZINC001341419404 1051777463 /nfs/dbraw/zinc/77/74/63/1051777463.db2.gz YRGWPAJOFIKGRW-MOPGFXCFSA-N 1 2 367.497 2.874 20 30 FFEDLO CC[C@@H](C)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001305406811 1051881007 /nfs/dbraw/zinc/88/10/07/1051881007.db2.gz LAIUEHLOXPZCAX-IAGOWNOFSA-N 1 2 374.533 2.642 20 30 FFEDLO Cc1cccc(CCCn2c([C@H]3CCOC3)nnc2N(C)C[C@@H](C)C#N)[nH+]1 ZINC001542645668 1071273243 /nfs/dbraw/zinc/27/32/43/1071273243.db2.gz QYFVQDVUVJVFNJ-RDJZCZTQSA-N 1 2 368.485 2.714 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2ccc(F)cc2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001343286199 1052135929 /nfs/dbraw/zinc/13/59/29/1052135929.db2.gz FLPMAEQEQAWVQX-PXNSSMCTSA-N 1 2 373.476 2.541 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2ccc(F)cc2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001343286199 1052135932 /nfs/dbraw/zinc/13/59/32/1052135932.db2.gz FLPMAEQEQAWVQX-PXNSSMCTSA-N 1 2 373.476 2.541 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCc2cc(O)ccc2C1 ZINC001343299248 1052144962 /nfs/dbraw/zinc/14/49/62/1052144962.db2.gz PPDJYXZOTRVASL-UHFFFAOYSA-N 1 2 353.470 2.718 20 30 FFEDLO CC(C)(C)[C@@H]1CSCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC001308033742 1052389042 /nfs/dbraw/zinc/38/90/42/1052389042.db2.gz JVYRMRZKJPFBFD-INIZCTEOSA-N 1 2 352.525 2.795 20 30 FFEDLO CC(C)(C)[C@@H]1CSCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC001308033742 1052389045 /nfs/dbraw/zinc/38/90/45/1052389045.db2.gz JVYRMRZKJPFBFD-INIZCTEOSA-N 1 2 352.525 2.795 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](Cn1c(CC3CC3)nnc1N(C)C[C@@H](C)C#N)CCC2 ZINC001542831746 1071314869 /nfs/dbraw/zinc/31/48/69/1071314869.db2.gz BHIZBNLNGFGUGY-WMLDXEAASA-N 1 2 367.501 2.909 20 30 FFEDLO C[C@H](C#N)CN(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1C[C@H]1CCCCO1 ZINC001345583641 1052522588 /nfs/dbraw/zinc/52/25/88/1052522588.db2.gz UHTMWUMZTZBWGT-BRWVUGGUSA-N 1 2 360.506 2.600 20 30 FFEDLO C[C@H](C#N)CN(C)c1nnc([C@H]2CCCC[N@H+]2C)n1C[C@H]1CCCCO1 ZINC001345583641 1052522597 /nfs/dbraw/zinc/52/25/97/1052522597.db2.gz UHTMWUMZTZBWGT-BRWVUGGUSA-N 1 2 360.506 2.600 20 30 FFEDLO N#Cc1csc(C[NH2+]Cc2ccc(C(=O)OCc3ccccc3)[nH]2)n1 ZINC001308958394 1052526977 /nfs/dbraw/zinc/52/69/77/1052526977.db2.gz LZQYZWDKFPTPIQ-UHFFFAOYSA-N 1 2 352.419 2.990 20 30 FFEDLO C#CCN(C)c1nnc(Cc2[nH+]ccn2Cc2ccccc2)n1CC(=C)C ZINC001345994916 1052699243 /nfs/dbraw/zinc/69/92/43/1052699243.db2.gz YKBGCCDQDOKUFM-UHFFFAOYSA-N 1 2 360.465 2.759 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCOc2ccc(O)cc2C1 ZINC001346187810 1052781792 /nfs/dbraw/zinc/78/17/92/1052781792.db2.gz IMLZMVBHIHHSNF-KRWDZBQOSA-N 1 2 369.469 2.726 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCOc2ccc(O)cc2C1 ZINC001346187810 1052781794 /nfs/dbraw/zinc/78/17/94/1052781794.db2.gz IMLZMVBHIHHSNF-KRWDZBQOSA-N 1 2 369.469 2.726 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)c1ocnc1C1CC1 ZINC001346720308 1053256317 /nfs/dbraw/zinc/25/63/17/1053256317.db2.gz POOBVYMKFXFFOI-UHFFFAOYSA-N 1 2 372.446 2.654 20 30 FFEDLO CCOCCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](C)C1 ZINC001346977871 1053500486 /nfs/dbraw/zinc/50/04/86/1053500486.db2.gz SYKIUXPVECRJBP-KRWDZBQOSA-N 1 2 374.533 2.644 20 30 FFEDLO C=CCC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCn2cc[nH+]c2)C3)CCCC1 ZINC001347203968 1053718376 /nfs/dbraw/zinc/71/83/76/1053718376.db2.gz GWHUEYJWGYAHAM-SQNIBIBYSA-N 1 2 370.497 2.658 20 30 FFEDLO C=C(Cl)CSc1nc(C)c(CC(=O)NCCc2[nH+]ccn2C)s1 ZINC001347736145 1054270400 /nfs/dbraw/zinc/27/04/00/1054270400.db2.gz VNLIREHAIUQHPV-UHFFFAOYSA-N 1 2 370.931 2.931 20 30 FFEDLO N#Cc1ccsc1C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001347948703 1054491414 /nfs/dbraw/zinc/49/14/14/1054491414.db2.gz KTAHUMHFNWFCEL-UHFFFAOYSA-N 1 2 372.471 2.722 20 30 FFEDLO CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001337185707 1054541333 /nfs/dbraw/zinc/54/13/33/1054541333.db2.gz KAFFQMAHWYARRT-IXDOHACOSA-N 1 2 374.485 2.599 20 30 FFEDLO COc1cccc([C@@H]2CN(C(=O)C3(c4cccc(C#N)c4)CC3)CC[NH2+]2)c1 ZINC001337328015 1054656429 /nfs/dbraw/zinc/65/64/29/1054656429.db2.gz GYWNCAKUGLVSNG-FQEVSTJZSA-N 1 2 361.445 2.772 20 30 FFEDLO CN(C)c1[nH+]ccc2c1CN(c1cc(C#N)c(Br)cn1)CC2 ZINC001337376622 1054701995 /nfs/dbraw/zinc/70/19/95/1054701995.db2.gz UJLCPVHBHXGMNN-UHFFFAOYSA-N 1 2 358.243 2.739 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(CCC)Cc1ccccc1 ZINC001351605265 1054918377 /nfs/dbraw/zinc/91/83/77/1054918377.db2.gz SOAMLWMKHKBFBG-QZTJIDSGSA-N 1 2 355.486 2.618 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(CCC)Cc1ccccc1 ZINC001351605265 1054918386 /nfs/dbraw/zinc/91/83/86/1054918386.db2.gz SOAMLWMKHKBFBG-QZTJIDSGSA-N 1 2 355.486 2.618 20 30 FFEDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)Cc2ccc(C#N)nc2)C1 ZINC001337815165 1055035540 /nfs/dbraw/zinc/03/55/40/1055035540.db2.gz IFGWKBJEAMDPLE-INIZCTEOSA-N 1 2 351.454 2.853 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2C[C@H]2CCOC2)C1 ZINC001349036663 1055061716 /nfs/dbraw/zinc/06/17/16/1055061716.db2.gz YYCNGZYQFBTAKU-RBUKOAKNSA-N 1 2 371.529 2.540 20 30 FFEDLO CC1=CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)CC1 ZINC001349145388 1055116931 /nfs/dbraw/zinc/11/69/31/1055116931.db2.gz DDWFLGXWLDYLAJ-UHFFFAOYSA-N 1 2 354.502 2.938 20 30 FFEDLO C=CCn1c(N2CCC[C@H](CC(C)C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001352062552 1055163789 /nfs/dbraw/zinc/16/37/89/1055163789.db2.gz ICIIRWOJVGBODE-MBOZVWFJSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC[C@H](CC(C)C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001352062552 1055163795 /nfs/dbraw/zinc/16/37/95/1055163795.db2.gz ICIIRWOJVGBODE-MBOZVWFJSA-N 1 2 361.534 2.638 20 30 FFEDLO CCn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1C1(C#N)CCCCC1 ZINC001352385985 1055426548 /nfs/dbraw/zinc/42/65/48/1055426548.db2.gz DINGESFZPKMQKY-UHFFFAOYSA-N 1 2 365.485 2.745 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC001349884408 1055520112 /nfs/dbraw/zinc/52/01/12/1055520112.db2.gz CCUCQGLKQFYSJJ-ZDUSSCGKSA-N 1 2 358.360 2.503 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC001338771994 1055800318 /nfs/dbraw/zinc/80/03/18/1055800318.db2.gz IOEDWAPREULXPB-XDNAFOTISA-N 1 2 373.545 2.854 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC001338771994 1055800324 /nfs/dbraw/zinc/80/03/24/1055800324.db2.gz IOEDWAPREULXPB-XDNAFOTISA-N 1 2 373.545 2.854 20 30 FFEDLO C#C[C@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC001350543662 1055825105 /nfs/dbraw/zinc/82/51/05/1055825105.db2.gz VIZMQFIJUYDEFN-YJBOKZPZSA-N 1 2 354.429 2.898 20 30 FFEDLO C=C(C)CN(Cc1ccccc1)c1nnc([C@@H]2C[C@H](O)C[N@@H+]2C)n1CC ZINC001352902402 1055911877 /nfs/dbraw/zinc/91/18/77/1055911877.db2.gz QQECLQXQUCWVRY-ROUUACIJSA-N 1 2 355.486 2.618 20 30 FFEDLO C=C(C)CN(Cc1ccccc1)c1nnc([C@@H]2C[C@H](O)C[N@H+]2C)n1CC ZINC001352902402 1055911889 /nfs/dbraw/zinc/91/18/89/1055911889.db2.gz QQECLQXQUCWVRY-ROUUACIJSA-N 1 2 355.486 2.618 20 30 FFEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCO[C@@H](C)C1 ZINC001338995776 1055999901 /nfs/dbraw/zinc/99/99/01/1055999901.db2.gz SRIAAMAQCLNKRS-DLBZAZTESA-N 1 2 355.486 2.882 20 30 FFEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCO[C@@H](C)C1 ZINC001338995776 1055999911 /nfs/dbraw/zinc/99/99/11/1055999911.db2.gz SRIAAMAQCLNKRS-DLBZAZTESA-N 1 2 355.486 2.882 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](CC)OCC)n2Cc2ccccc2)CC1 ZINC001357838425 1056032945 /nfs/dbraw/zinc/03/29/45/1056032945.db2.gz YQHHNAICZDFYHS-LJQANCHMSA-N 1 2 367.497 2.569 20 30 FFEDLO CCOC[C@@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC)C1 ZINC001339367434 1056380621 /nfs/dbraw/zinc/38/06/21/1056380621.db2.gz JPJLOWVFDJQYMO-QGZVFWFLSA-N 1 2 374.533 2.644 20 30 FFEDLO C=CC1(CC(=O)NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CCCCC1 ZINC001358675898 1056407792 /nfs/dbraw/zinc/40/77/92/1056407792.db2.gz GJNLWKZWHFJHJS-HZPDHXFCSA-N 1 2 370.497 2.805 20 30 FFEDLO C=CC1(CC(=O)NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CCCCC1 ZINC001358675898 1056407798 /nfs/dbraw/zinc/40/77/98/1056407798.db2.gz GJNLWKZWHFJHJS-HZPDHXFCSA-N 1 2 370.497 2.805 20 30 FFEDLO C=CCC1(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCCC1 ZINC001358733467 1056430205 /nfs/dbraw/zinc/43/02/05/1056430205.db2.gz FGXUBCLISSOXDI-IAGOWNOFSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCC1(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCCC1 ZINC001358733467 1056430213 /nfs/dbraw/zinc/43/02/13/1056430213.db2.gz FGXUBCLISSOXDI-IAGOWNOFSA-N 1 2 370.497 2.709 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(CC)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001300310769 1056441124 /nfs/dbraw/zinc/44/11/24/1056441124.db2.gz OKOXGHMEJZFYTR-MRXNPFEDSA-N 1 2 352.486 2.732 20 30 FFEDLO CCn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001339623491 1056648264 /nfs/dbraw/zinc/64/82/64/1056648264.db2.gz MFMXSVWRAOVXIZ-JKSUJKDBSA-N 1 2 370.888 2.901 20 30 FFEDLO C[C@@H](c1cccc(O)c1)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001339627808 1056652787 /nfs/dbraw/zinc/65/27/87/1056652787.db2.gz JENVNDYPWKEITB-HNNXBMFYSA-N 1 2 368.485 2.811 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CC(CC)(CC)OC)CC1 ZINC001359029272 1056665542 /nfs/dbraw/zinc/66/55/42/1056665542.db2.gz SNVKUOPFUVTIJB-QGZVFWFLSA-N 1 2 361.534 2.752 20 30 FFEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCCn1cc[nH+]c1 ZINC001443442996 1058206829 /nfs/dbraw/zinc/20/68/29/1058206829.db2.gz FMKOVHOURWQBSY-CQSZACIVSA-N 1 2 370.881 2.815 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCCO1 ZINC001518116575 1058271995 /nfs/dbraw/zinc/27/19/95/1058271995.db2.gz JOWJDAIHWRFYFO-SQGPQFPESA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCCO1 ZINC001518116575 1058272014 /nfs/dbraw/zinc/27/20/14/1058272014.db2.gz JOWJDAIHWRFYFO-SQGPQFPESA-N 1 2 372.517 2.744 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc([C@@H]3C[N@H+](C(C)C)CCO3)n2CC2CC2)C1 ZINC001518223349 1058308472 /nfs/dbraw/zinc/30/84/72/1058308472.db2.gz RCVSGCPWDNBLDN-HKUYNNGSSA-N 1 2 371.529 2.710 20 30 FFEDLO C#CC[C@H]1CCCN(c2nnc([C@@H]3C[N@@H+](C(C)C)CCO3)n2CC2CC2)C1 ZINC001518223349 1058308490 /nfs/dbraw/zinc/30/84/90/1058308490.db2.gz RCVSGCPWDNBLDN-HKUYNNGSSA-N 1 2 371.529 2.710 20 30 FFEDLO C=CCCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001515108419 1059337003 /nfs/dbraw/zinc/33/70/03/1059337003.db2.gz NBOSUOQRJDYICA-FUHWJXTLSA-N 1 2 366.465 2.853 20 30 FFEDLO C#CCCOc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(OC)c3)C2)cc1 ZINC001454477828 1059544806 /nfs/dbraw/zinc/54/48/06/1059544806.db2.gz STPWIXPPQVZLFQ-NRFANRHFSA-N 1 2 364.445 2.884 20 30 FFEDLO C=CCn1c(-c2cocn2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001520344959 1059628723 /nfs/dbraw/zinc/62/87/23/1059628723.db2.gz PEXUSUYTOIBJBQ-UHFFFAOYSA-N 1 2 351.414 2.595 20 30 FFEDLO CCn1c[nH+]cc1COC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC001520443278 1059690226 /nfs/dbraw/zinc/69/02/26/1059690226.db2.gz ZTRSWGZTGOBQEO-UHFFFAOYSA-N 1 2 356.401 2.874 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2Cc2cccc(F)c2)CC1 ZINC001507720760 1059699870 /nfs/dbraw/zinc/69/98/70/1059699870.db2.gz FPGJSMCREFSWKF-MRXNPFEDSA-N 1 2 355.461 2.734 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 ZINC001507720945 1059700633 /nfs/dbraw/zinc/70/06/33/1059700633.db2.gz HCECAVIOPKURJV-QRVBRYPASA-N 1 2 371.529 2.528 20 30 FFEDLO C=C[C@@H](O)c1nnc(N(CC)CC2CCN(c3cccc[nH+]3)CC2)n1CC ZINC001520836068 1060126912 /nfs/dbraw/zinc/12/69/12/1060126912.db2.gz XBUFAZCYLRCSDS-QGZVFWFLSA-N 1 2 370.501 2.655 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2C[C@@H]2CCCCO2)C1 ZINC001516865013 1060255547 /nfs/dbraw/zinc/25/55/47/1060255547.db2.gz DYSDUUMEFQWPJK-MOPGFXCFSA-N 1 2 371.529 2.683 20 30 FFEDLO Cc1cc(Cn2c([C@H]3CCC[N@H+]3C)nnc2N2CCC[C@@](C)(C#N)C2)no1 ZINC001521350166 1060550678 /nfs/dbraw/zinc/55/06/78/1060550678.db2.gz QJLCXIYUGBTBBU-APWZRJJASA-N 1 2 369.473 2.520 20 30 FFEDLO Cc1cc(Cn2c([C@H]3CCC[N@@H+]3C)nnc2N2CCC[C@@](C)(C#N)C2)no1 ZINC001521350166 1060550696 /nfs/dbraw/zinc/55/06/96/1060550696.db2.gz QJLCXIYUGBTBBU-APWZRJJASA-N 1 2 369.473 2.520 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC(C)(C)CC(C)(C)C1 ZINC001355920664 1060729092 /nfs/dbraw/zinc/72/90/92/1060729092.db2.gz VCJLXJZXHKITTI-CVEARBPZSA-N 1 2 361.534 2.854 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC(C)(C)CC(C)(C)C1 ZINC001355920664 1060729108 /nfs/dbraw/zinc/72/91/08/1060729108.db2.gz VCJLXJZXHKITTI-CVEARBPZSA-N 1 2 361.534 2.854 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC001355941431 1060744880 /nfs/dbraw/zinc/74/48/80/1060744880.db2.gz GLRFPEVWZDULPZ-RDTXWAMCSA-N 1 2 369.460 2.699 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@H](C)OC2(CCCC2)C1 ZINC001355941321 1060745699 /nfs/dbraw/zinc/74/56/99/1060745699.db2.gz DQDYJAIAIQSPPP-KRWDZBQOSA-N 1 2 359.518 2.988 20 30 FFEDLO C=C(C)Cn1c(N2CCC(C(C)C)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001355959227 1060764273 /nfs/dbraw/zinc/76/42/73/1060764273.db2.gz YJHLZECLICXHRS-XLIONFOSSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CCC(C(C)C)CC2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001355959227 1060764289 /nfs/dbraw/zinc/76/42/89/1060764289.db2.gz YJHLZECLICXHRS-XLIONFOSSA-N 1 2 361.534 2.638 20 30 FFEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001459778499 1060816405 /nfs/dbraw/zinc/81/64/05/1060816405.db2.gz RNFONMDMVLBKGF-RYUDHWBXSA-N 1 2 351.385 2.953 20 30 FFEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001459778499 1060816423 /nfs/dbraw/zinc/81/64/23/1060816423.db2.gz RNFONMDMVLBKGF-RYUDHWBXSA-N 1 2 351.385 2.953 20 30 FFEDLO C=CCCc1ccc(S(=O)(=O)N2CC[N@@H+](CCOC)CC2(C)C)cc1 ZINC001475450141 1061096746 /nfs/dbraw/zinc/09/67/46/1061096746.db2.gz ONDYFQMVXRCVDC-UHFFFAOYSA-N 1 2 366.527 2.537 20 30 FFEDLO C=CCCc1ccc(S(=O)(=O)N2CC[N@H+](CCOC)CC2(C)C)cc1 ZINC001475450141 1061096760 /nfs/dbraw/zinc/09/67/60/1061096760.db2.gz ONDYFQMVXRCVDC-UHFFFAOYSA-N 1 2 366.527 2.537 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001460781744 1061102063 /nfs/dbraw/zinc/10/20/63/1061102063.db2.gz YPBZNLLFWHTUSH-RYUDHWBXSA-N 1 2 357.845 2.956 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001460781744 1061102074 /nfs/dbraw/zinc/10/20/74/1061102074.db2.gz YPBZNLLFWHTUSH-RYUDHWBXSA-N 1 2 357.845 2.956 20 30 FFEDLO C=C(C)[C@H](NC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC001528255452 1061829643 /nfs/dbraw/zinc/82/96/43/1061829643.db2.gz UVFIEBPCPXMGIS-KDOFPFPSSA-N 1 2 366.456 2.517 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001522334466 1061964236 /nfs/dbraw/zinc/96/42/36/1061964236.db2.gz ROUVNONSNXWWPD-VWXURSGXSA-N 1 2 372.513 2.777 20 30 FFEDLO C=CCC1(C(=O)N(C)C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCC1 ZINC001530169402 1062503200 /nfs/dbraw/zinc/50/32/00/1062503200.db2.gz SKPXGFVDLFAKFD-GVDBMIGSSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CCC1(C(=O)N(C)C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCC1 ZINC001530169402 1062503222 /nfs/dbraw/zinc/50/32/22/1062503222.db2.gz SKPXGFVDLFAKFD-GVDBMIGSSA-N 1 2 370.497 2.567 20 30 FFEDLO CC[C@H]1C[C@@H](C)CN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CCOC ZINC001523616916 1062548658 /nfs/dbraw/zinc/54/86/58/1062548658.db2.gz JFECAWNYPAROGG-AEFFLSMTSA-N 1 2 374.533 2.642 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@](O)(C(F)(F)F)C1 ZINC001524338543 1062807837 /nfs/dbraw/zinc/80/78/37/1062807837.db2.gz WGQKOYFFQIGSDP-XJKSGUPXSA-N 1 2 373.423 2.515 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@](O)(C(F)(F)F)C1 ZINC001524338543 1062807858 /nfs/dbraw/zinc/80/78/58/1062807858.db2.gz WGQKOYFFQIGSDP-XJKSGUPXSA-N 1 2 373.423 2.515 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC=C(C)C1 ZINC001524358241 1062812060 /nfs/dbraw/zinc/81/20/60/1062812060.db2.gz KDTOVPBBQNCSCK-MSOLQXFVSA-N 1 2 357.502 2.936 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC=C(C)C1 ZINC001524358241 1062812086 /nfs/dbraw/zinc/81/20/86/1062812086.db2.gz KDTOVPBBQNCSCK-MSOLQXFVSA-N 1 2 357.502 2.936 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C(C)(C)CC=C)[C@H]2C)c1 ZINC001479720697 1062917699 /nfs/dbraw/zinc/91/76/99/1062917699.db2.gz UFLSWBDNGAXNMJ-APWZRJJASA-N 1 2 367.493 2.788 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C(C)(C)CC=C)[C@H]2C)c1 ZINC001479720697 1062917721 /nfs/dbraw/zinc/91/77/21/1062917721.db2.gz UFLSWBDNGAXNMJ-APWZRJJASA-N 1 2 367.493 2.788 20 30 FFEDLO C=C1CCC(C(=O)NC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)C)CC1 ZINC001532835652 1063188448 /nfs/dbraw/zinc/18/84/48/1063188448.db2.gz WNYLVDCVRCICOA-ZACQAIPSSA-N 1 2 358.486 2.517 20 30 FFEDLO C=C1CCC(C(=O)NC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)C)CC1 ZINC001532835652 1063188456 /nfs/dbraw/zinc/18/84/56/1063188456.db2.gz WNYLVDCVRCICOA-ZACQAIPSSA-N 1 2 358.486 2.517 20 30 FFEDLO CC1(C#N)CCN(c2nnc(C[NH+]3CCCCC3)n2C[C@H]2CCCO2)CC1 ZINC001525295129 1063237680 /nfs/dbraw/zinc/23/76/80/1063237680.db2.gz UKQLRFBQPBLLPW-QGZVFWFLSA-N 1 2 372.517 2.573 20 30 FFEDLO N#Cc1c(F)ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)c1N ZINC001470739243 1064434453 /nfs/dbraw/zinc/43/44/53/1064434453.db2.gz MJPNZTYWSNPLAM-KRWDZBQOSA-N 1 2 353.401 2.668 20 30 FFEDLO N#Cc1c(F)ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)c1N ZINC001470739243 1064434460 /nfs/dbraw/zinc/43/44/60/1064434460.db2.gz MJPNZTYWSNPLAM-KRWDZBQOSA-N 1 2 353.401 2.668 20 30 FFEDLO C#CC[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC001574986104 1078098130 /nfs/dbraw/zinc/09/81/30/1078098130.db2.gz RTIJLCORDRGHCQ-INIZCTEOSA-N 1 2 359.518 2.693 20 30 FFEDLO C=CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2c[nH]nn2)C1)c1ccccc1 ZINC001575078111 1078103385 /nfs/dbraw/zinc/10/33/85/1078103385.db2.gz GAKVKCFJYHJCRV-FXAWDEMLSA-N 1 2 367.497 2.883 20 30 FFEDLO C=CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2cn[nH]n2)C1)c1ccccc1 ZINC001575078111 1078103386 /nfs/dbraw/zinc/10/33/86/1078103386.db2.gz GAKVKCFJYHJCRV-FXAWDEMLSA-N 1 2 367.497 2.883 20 30 FFEDLO C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C2(Cc3cnn[nH]3)CCCCC2)C1 ZINC001575088119 1078105238 /nfs/dbraw/zinc/10/52/38/1078105238.db2.gz WJFSXJPZXSTPTM-MRXNPFEDSA-N 1 2 359.518 2.795 20 30 FFEDLO C=CCCC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)[C@H](C)n2cccc2)CC1 ZINC001575092889 1078105579 /nfs/dbraw/zinc/10/55/79/1078105579.db2.gz ASMAXJDFWUDXFD-KRWDZBQOSA-N 1 2 370.501 2.627 20 30 FFEDLO N#Cc1ccccc1NC(=O)CCCC(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001472063787 1064915271 /nfs/dbraw/zinc/91/52/71/1064915271.db2.gz BBHGYIGCIQPTMO-UHFFFAOYSA-N 1 2 365.437 2.585 20 30 FFEDLO Cc1nn(C(C)(C)C)c2nc(Cl)c(C[N@@H+]3CC[C@@](O)(CC#N)C3)cc12 ZINC001474598292 1065559727 /nfs/dbraw/zinc/55/97/27/1065559727.db2.gz AQJDHGHOAPLWJV-SFHVURJKSA-N 1 2 361.877 2.999 20 30 FFEDLO Cc1nn(C(C)(C)C)c2nc(Cl)c(C[N@H+]3CC[C@@](O)(CC#N)C3)cc12 ZINC001474598292 1065559736 /nfs/dbraw/zinc/55/97/36/1065559736.db2.gz AQJDHGHOAPLWJV-SFHVURJKSA-N 1 2 361.877 2.999 20 30 FFEDLO N#Cc1cc(F)cc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC001474871724 1065631541 /nfs/dbraw/zinc/63/15/41/1065631541.db2.gz VIVKTAPFIHHAKY-UHFFFAOYSA-N 1 2 374.372 2.501 20 30 FFEDLO C=CC(C)(C)CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001582594335 1079073061 /nfs/dbraw/zinc/07/30/61/1079073061.db2.gz PCCVCHHBBDSMMR-HUUCEWRRSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CC(C)(C)CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001582594335 1079073068 /nfs/dbraw/zinc/07/30/68/1079073068.db2.gz PCCVCHHBBDSMMR-HUUCEWRRSA-N 1 2 358.486 2.661 20 30 FFEDLO N#Cc1ccc(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)nc1 ZINC001558836116 1076085638 /nfs/dbraw/zinc/08/56/38/1076085638.db2.gz SAGDVFRXTYDQEO-UHFFFAOYSA-N 1 2 365.824 2.824 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1c1ccccc1 ZINC001565882704 1076777708 /nfs/dbraw/zinc/77/77/08/1076777708.db2.gz IJUWKXHGKWAZJN-RBUKOAKNSA-N 1 2 351.450 2.808 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1c1ccccc1 ZINC001565882704 1076777711 /nfs/dbraw/zinc/77/77/11/1076777711.db2.gz IJUWKXHGKWAZJN-RBUKOAKNSA-N 1 2 351.450 2.808 20 30 FFEDLO Cc1cc(CCC(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@@H]2C)no1 ZINC001566103181 1076906931 /nfs/dbraw/zinc/90/69/31/1076906931.db2.gz AFJAHXXINXHJNA-KUHUBIRLSA-N 1 2 370.428 2.706 20 30 FFEDLO Cc1cc(CCC(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@@H]2C)no1 ZINC001566103181 1076906935 /nfs/dbraw/zinc/90/69/35/1076906935.db2.gz AFJAHXXINXHJNA-KUHUBIRLSA-N 1 2 370.428 2.706 20 30 FFEDLO COC[C@@H](C)CC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001566108366 1076912602 /nfs/dbraw/zinc/91/26/02/1076912602.db2.gz VRLVLOBXVYIFGA-FCEWJHQRSA-N 1 2 362.901 2.943 20 30 FFEDLO COC[C@@H](C)CC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001566108366 1076912604 /nfs/dbraw/zinc/91/26/04/1076912604.db2.gz VRLVLOBXVYIFGA-FCEWJHQRSA-N 1 2 362.901 2.943 20 30 FFEDLO N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)ccc21 ZINC001567654854 1077041770 /nfs/dbraw/zinc/04/17/70/1077041770.db2.gz BPTJVSDXIIHMCV-HZPDHXFCSA-N 1 2 363.421 2.735 20 30 FFEDLO N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)ccc21 ZINC001567654854 1077041777 /nfs/dbraw/zinc/04/17/77/1077041777.db2.gz BPTJVSDXIIHMCV-HZPDHXFCSA-N 1 2 363.421 2.735 20 30 FFEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)CC1 ZINC001567719648 1077048564 /nfs/dbraw/zinc/04/85/64/1077048564.db2.gz XWNGSJNEQYCPFQ-LEWJYISDSA-N 1 2 355.526 2.669 20 30 FFEDLO C#CCN(C(=O)C[C@@H]1C[C@H]1C1CC1)C1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC001569590610 1077153965 /nfs/dbraw/zinc/15/39/65/1077153965.db2.gz JJJRDIWKPROKHF-ICSRJNTNSA-N 1 2 366.509 2.647 20 30 FFEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@@]3(C#N)CCCOC3)CC2)cc1 ZINC001569867631 1077169471 /nfs/dbraw/zinc/16/94/71/1077169471.db2.gz QZZIGWHFXKGCHE-OAQYLSRUSA-N 1 2 355.482 2.775 20 30 FFEDLO C#CCCCCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001571906417 1077285687 /nfs/dbraw/zinc/28/56/87/1077285687.db2.gz SXQHZJCNEKJPRJ-IAGOWNOFSA-N 1 2 370.497 2.642 20 30 FFEDLO C#CCCCCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001571906417 1077285694 /nfs/dbraw/zinc/28/56/94/1077285694.db2.gz SXQHZJCNEKJPRJ-IAGOWNOFSA-N 1 2 370.497 2.642 20 30 FFEDLO C=CCCCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001573231738 1077614442 /nfs/dbraw/zinc/61/44/42/1077614442.db2.gz VOAOLZKFIGYUPX-RYRKJORJSA-N 1 2 360.502 2.688 20 30 FFEDLO C=CCCCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001573231738 1077614444 /nfs/dbraw/zinc/61/44/44/1077614444.db2.gz VOAOLZKFIGYUPX-RYRKJORJSA-N 1 2 360.502 2.688 20 30 FFEDLO C=CCCCC(=O)NC[C@]1(C)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001586195613 1079570886 /nfs/dbraw/zinc/57/08/86/1079570886.db2.gz HTXHWNQXNGFFFU-QINHECLXSA-N 1 2 358.486 2.614 20 30 FFEDLO C=CCCCC(=O)NC[C@]1(C)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001586195613 1079570890 /nfs/dbraw/zinc/57/08/90/1079570890.db2.gz HTXHWNQXNGFFFU-QINHECLXSA-N 1 2 358.486 2.614 20 30 FFEDLO O=C(C#Cc1ccc2c(c1)OCO2)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001588787902 1080196527 /nfs/dbraw/zinc/19/65/27/1080196527.db2.gz QSGFOESTFGJRIF-SFHVURJKSA-N 1 2 359.385 2.521 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2CCCOC2CCCC2)CC1 ZINC001588835606 1080212617 /nfs/dbraw/zinc/21/26/17/1080212617.db2.gz CNQRLLFGOMCJEL-UHFFFAOYSA-N 1 2 373.545 2.581 20 30 FFEDLO C#C[C@]1(C)CCCN1c1nnc(COCC)n1CCCNc1cccc[nH+]1 ZINC001589251063 1080446707 /nfs/dbraw/zinc/44/67/07/1080446707.db2.gz IPAAWNHYPHQBFA-HXUWFJFHSA-N 1 2 368.485 2.704 20 30 FFEDLO N#CCCCOc1cccc(CNc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000532173020 540142935 /nfs/dbraw/zinc/14/29/35/540142935.db2.gz UNEWHKBRWDZSLR-UHFFFAOYSA-N 1 2 369.469 2.510 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@](O)(C(F)(F)F)CC3)o2)cc1 ZINC000285697344 257000260 /nfs/dbraw/zinc/00/02/60/257000260.db2.gz VSHOSOWCOYWBAA-INIZCTEOSA-N 1 2 366.343 2.888 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@](O)(C(F)(F)F)CC3)o2)cc1 ZINC000285697344 257000261 /nfs/dbraw/zinc/00/02/61/257000261.db2.gz VSHOSOWCOYWBAA-INIZCTEOSA-N 1 2 366.343 2.888 20 30 FFEDLO CCOc1ccc(NC(=O)C[NH+]2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000152912652 251080440 /nfs/dbraw/zinc/08/04/40/251080440.db2.gz XWNJBGNSSBCIGX-UHFFFAOYSA-N 1 2 364.449 2.718 20 30 FFEDLO CC(C)(CNc1ccc(C#N)cc1C(F)(F)F)[NH+]1CCS(=O)CC1 ZINC000269546913 251406665 /nfs/dbraw/zinc/40/66/65/251406665.db2.gz CQKCMGDJFIEMRO-UHFFFAOYSA-N 1 2 359.417 2.832 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](COc3ccccc3)C2)cc1 ZINC000272617422 252083103 /nfs/dbraw/zinc/08/31/03/252083103.db2.gz UCHOFMVPIPJBIE-SFHVURJKSA-N 1 2 370.474 2.733 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](COc3ccccc3)C2)cc1 ZINC000272617422 252083107 /nfs/dbraw/zinc/08/31/07/252083107.db2.gz UCHOFMVPIPJBIE-SFHVURJKSA-N 1 2 370.474 2.733 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277634443 256219977 /nfs/dbraw/zinc/21/99/77/256219977.db2.gz BOQBSGJPFZHBTO-KYOSRNDESA-N 1 2 355.360 2.520 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277634443 256219978 /nfs/dbraw/zinc/21/99/78/256219978.db2.gz BOQBSGJPFZHBTO-KYOSRNDESA-N 1 2 355.360 2.520 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278957773 256366140 /nfs/dbraw/zinc/36/61/40/256366140.db2.gz ZQSYKKGPKZTAEI-HOCLYGCPSA-N 1 2 368.412 2.963 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278957773 256366142 /nfs/dbraw/zinc/36/61/42/256366142.db2.gz ZQSYKKGPKZTAEI-HOCLYGCPSA-N 1 2 368.412 2.963 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1C#N ZINC000287171602 257075617 /nfs/dbraw/zinc/07/56/17/257075617.db2.gz QYDZAVJLPQUICS-YJBOKZPZSA-N 1 2 372.469 2.672 20 30 FFEDLO N#Cc1ccc(C(F)(F)F)nc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000301279650 258039657 /nfs/dbraw/zinc/03/96/57/258039657.db2.gz JSIRCOJNEXAUGN-HNNXBMFYSA-N 1 2 372.416 2.592 20 30 FFEDLO N#Cc1nc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)ccc1Cl ZINC000299630907 258011897 /nfs/dbraw/zinc/01/18/97/258011897.db2.gz KYMAXGXHJBNCCN-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000301485187 258052148 /nfs/dbraw/zinc/05/21/48/258052148.db2.gz WHQQQGXNNMKRIA-CYBMUJFWSA-N 1 2 368.403 2.614 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)c1[N+](=O)[O-] ZINC000301650525 258060879 /nfs/dbraw/zinc/06/08/79/258060879.db2.gz PTKTWJHEVSFHHK-UHFFFAOYSA-N 1 2 363.830 2.899 20 30 FFEDLO COc1cc(C[NH+]2CCN(C(=O)NC3CCCCC3)CC2)ccc1C#N ZINC000332529810 258233814 /nfs/dbraw/zinc/23/38/14/258233814.db2.gz FGODNJHCDUENBB-UHFFFAOYSA-N 1 2 356.470 2.727 20 30 FFEDLO Cc1cnn(CC2CC[NH+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)c1 ZINC000333070296 258247941 /nfs/dbraw/zinc/24/79/41/258247941.db2.gz UVDXZDDONIPJAY-QGZVFWFLSA-N 1 2 369.494 2.642 20 30 FFEDLO Cc1nc(C)c(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000331855011 258203177 /nfs/dbraw/zinc/20/31/77/258203177.db2.gz DBKFHSAWKWKBET-UHFFFAOYSA-N 1 2 369.494 2.659 20 30 FFEDLO C=CC[NH+](CC=C)CC(=O)Nc1cccc(I)c1 ZINC000098071995 222225602 /nfs/dbraw/zinc/22/56/02/222225602.db2.gz LHZLOHKQRSZQCM-UHFFFAOYSA-N 1 2 356.207 2.904 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ncccc2OCCCC#N)C1 ZINC000377292098 512203250 /nfs/dbraw/zinc/20/32/50/512203250.db2.gz PDZUEDYABZWQKX-HNNXBMFYSA-N 1 2 368.441 2.909 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000373200711 512218527 /nfs/dbraw/zinc/21/85/27/512218527.db2.gz HJTXHARNHCUDGS-VBKZILBWSA-N 1 2 353.397 2.618 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000373200711 512218532 /nfs/dbraw/zinc/21/85/32/512218532.db2.gz HJTXHARNHCUDGS-VBKZILBWSA-N 1 2 353.397 2.618 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC000366965924 512271898 /nfs/dbraw/zinc/27/18/98/512271898.db2.gz JHTUKCKQXVESSA-KRWDZBQOSA-N 1 2 374.448 2.572 20 30 FFEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)[C@@H]1C ZINC000369208377 512283304 /nfs/dbraw/zinc/28/33/04/512283304.db2.gz XLPMMYNRORLGJJ-KZNAEPCWSA-N 1 2 354.498 2.880 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCN(c2nccs2)CC1 ZINC000054635987 506593362 /nfs/dbraw/zinc/59/33/62/506593362.db2.gz UCHUFSUOGHKQRU-INIZCTEOSA-N 1 2 369.494 2.600 20 30 FFEDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000055041744 506664085 /nfs/dbraw/zinc/66/40/85/506664085.db2.gz KWBTZOVADLOTOB-UHFFFAOYSA-N 1 2 350.378 2.736 20 30 FFEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000044741649 506882056 /nfs/dbraw/zinc/88/20/56/506882056.db2.gz AIKCUXAHIXXEKS-CVEARBPZSA-N 1 2 362.905 2.779 20 30 FFEDLO C[C@H](c1ccccc1Cl)N1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000044741649 506882059 /nfs/dbraw/zinc/88/20/59/506882059.db2.gz AIKCUXAHIXXEKS-CVEARBPZSA-N 1 2 362.905 2.779 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc(C#N)cc3)c[nH+]2)C[C@@H](C)O1 ZINC000045956117 507052214 /nfs/dbraw/zinc/05/22/14/507052214.db2.gz XXMPYIOMZAXUSB-HUUCEWRRSA-N 1 2 365.437 2.889 20 30 FFEDLO Cc1ccc(OCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000015742130 507058058 /nfs/dbraw/zinc/05/80/58/507058058.db2.gz IHRQXCBZJZCFAX-UHFFFAOYSA-N 1 2 363.461 2.898 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000046059351 507068307 /nfs/dbraw/zinc/06/83/07/507068307.db2.gz OSUSDSMVEAOLCJ-CTNGQTDRSA-N 1 2 370.424 2.705 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000046059351 507068313 /nfs/dbraw/zinc/06/83/13/507068313.db2.gz OSUSDSMVEAOLCJ-CTNGQTDRSA-N 1 2 370.424 2.705 20 30 FFEDLO N#CC1(c2ccccn2)CC[NH+](CCS(=O)(=O)Cc2ccccc2)CC1 ZINC000367058448 512318012 /nfs/dbraw/zinc/31/80/12/512318012.db2.gz UCMWVPGNDAZZLB-UHFFFAOYSA-N 1 2 369.490 2.554 20 30 FFEDLO Cc1cccc(C)c1OCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000017843038 507130191 /nfs/dbraw/zinc/13/01/91/507130191.db2.gz IWIIYWGQCQORBC-UHFFFAOYSA-N 1 2 363.461 2.898 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000018233678 507146241 /nfs/dbraw/zinc/14/62/41/507146241.db2.gz VBMXLGNGISTTEW-BEFAXECRSA-N 1 2 360.417 2.965 20 30 FFEDLO N#Cc1ccc(/C=C/C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000057835051 507337287 /nfs/dbraw/zinc/33/72/87/507337287.db2.gz OEMGUWHWNPGSMM-MDZDMXLPSA-N 1 2 361.445 2.720 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3nc4ccccc4o3)CC2)cc1 ZINC000023438108 507353548 /nfs/dbraw/zinc/35/35/48/507353548.db2.gz XANUSAHNGHKKFZ-UHFFFAOYSA-N 1 2 374.444 2.976 20 30 FFEDLO CC(C)(C)c1ccc(S(=O)(=O)N2CC[NH+](CCCCC#N)CC2)cc1 ZINC000058372280 507410939 /nfs/dbraw/zinc/41/09/39/507410939.db2.gz ILJNCIGPFQAZTO-UHFFFAOYSA-N 1 2 363.527 2.984 20 30 FFEDLO Cc1csc([C@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000069324771 507465491 /nfs/dbraw/zinc/46/54/91/507465491.db2.gz MVTIXGQTMVQSFL-HNNXBMFYSA-N 1 2 369.494 2.912 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000048161190 507468253 /nfs/dbraw/zinc/46/82/53/507468253.db2.gz HJULMJVVYCPLQX-UHFFFAOYSA-N 1 2 353.426 2.621 20 30 FFEDLO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccccc1Cl ZINC000048911552 507578888 /nfs/dbraw/zinc/57/88/88/507578888.db2.gz XQFHVPUUAZMJOC-QGZVFWFLSA-N 1 2 370.840 2.569 20 30 FFEDLO C[C@H](C(=O)NC1CCC(C)CC1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000026467841 507589311 /nfs/dbraw/zinc/58/93/11/507589311.db2.gz GGWLAELCVFGSJM-IDYZSHNDSA-N 1 2 368.525 2.759 20 30 FFEDLO C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000026467841 507589320 /nfs/dbraw/zinc/58/93/20/507589320.db2.gz GGWLAELCVFGSJM-IDYZSHNDSA-N 1 2 368.525 2.759 20 30 FFEDLO N#Cc1ccc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000027103451 507630938 /nfs/dbraw/zinc/63/09/38/507630938.db2.gz VBNGKBICTQEXLT-UHFFFAOYSA-N 1 2 358.445 2.707 20 30 FFEDLO CC(C)Cc1ccc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000070920487 507660986 /nfs/dbraw/zinc/66/09/86/507660986.db2.gz KJEQWCMHHLFUNH-UHFFFAOYSA-N 1 2 357.498 2.502 20 30 FFEDLO CCC(CC)C(=O)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000027608133 507671639 /nfs/dbraw/zinc/67/16/39/507671639.db2.gz BRQPSHLXJUEGOQ-UHFFFAOYSA-N 1 2 362.499 2.529 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000369337545 512356627 /nfs/dbraw/zinc/35/66/27/512356627.db2.gz CLSZNUNEMJWXKN-ZDUSSCGKSA-N 1 2 364.858 2.513 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CCC(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000028879307 507748234 /nfs/dbraw/zinc/74/82/34/507748234.db2.gz NLKMJXMQTMJEPR-UHFFFAOYSA-N 1 2 366.440 2.844 20 30 FFEDLO COCC[N@H+](CC(=O)NCc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000063754439 507768336 /nfs/dbraw/zinc/76/83/36/507768336.db2.gz DGVRXJBMPBRSKW-UHFFFAOYSA-N 1 2 371.868 2.976 20 30 FFEDLO COCC[N@@H+](CC(=O)NCc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000063754439 507768339 /nfs/dbraw/zinc/76/83/39/507768339.db2.gz DGVRXJBMPBRSKW-UHFFFAOYSA-N 1 2 371.868 2.976 20 30 FFEDLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1C ZINC000029448933 507777987 /nfs/dbraw/zinc/77/79/87/507777987.db2.gz RHRRMANFJNTEKY-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029449959 507779176 /nfs/dbraw/zinc/77/91/76/507779176.db2.gz MMPWHZXWAFSADV-MRXNPFEDSA-N 1 2 363.465 2.665 20 30 FFEDLO C[C@H]1CN(c2ccc(CNc3ccc(C#N)cc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000052245542 507803689 /nfs/dbraw/zinc/80/36/89/507803689.db2.gz PFZSJHFOVQEMKL-ZDUSSCGKSA-N 1 2 353.382 2.699 20 30 FFEDLO C[C@H](C1CC1)N(C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1)C1CC1 ZINC000052640899 507816623 /nfs/dbraw/zinc/81/66/23/507816623.db2.gz OTEANMZAMDFEBZ-OAHLLOKOSA-N 1 2 370.472 2.609 20 30 FFEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NC(=O)NCc1cccs1 ZINC000072692846 507843260 /nfs/dbraw/zinc/84/32/60/507843260.db2.gz CKHVLFHDFSWPFN-UHFFFAOYSA-N 1 2 350.488 2.726 20 30 FFEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NC(=O)NCc1cccs1 ZINC000072692846 507843263 /nfs/dbraw/zinc/84/32/63/507843263.db2.gz CKHVLFHDFSWPFN-UHFFFAOYSA-N 1 2 350.488 2.726 20 30 FFEDLO CC[N@H+](CCCNS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccccc1 ZINC000078489392 507876108 /nfs/dbraw/zinc/87/61/08/507876108.db2.gz KLOKYNFPPKHYJF-UHFFFAOYSA-N 1 2 361.442 2.892 20 30 FFEDLO CC[N@@H+](CCCNS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccccc1 ZINC000078489392 507876109 /nfs/dbraw/zinc/87/61/09/507876109.db2.gz KLOKYNFPPKHYJF-UHFFFAOYSA-N 1 2 361.442 2.892 20 30 FFEDLO CC[C@H](C)Oc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000078510853 507878674 /nfs/dbraw/zinc/87/86/74/507878674.db2.gz ROLKPJFOPTXTJX-KRWDZBQOSA-N 1 2 374.485 2.944 20 30 FFEDLO CCn1cc(C[N@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cn1 ZINC000072988967 507881590 /nfs/dbraw/zinc/88/15/90/507881590.db2.gz KOBQAQSGQLQBBP-GFCCVEGCSA-N 1 2 357.483 2.784 20 30 FFEDLO CCn1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cn1 ZINC000072988967 507881592 /nfs/dbraw/zinc/88/15/92/507881592.db2.gz KOBQAQSGQLQBBP-GFCCVEGCSA-N 1 2 357.483 2.784 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000078657575 507894397 /nfs/dbraw/zinc/89/43/97/507894397.db2.gz SLODNHRXZRVVFM-QVKFZJNVSA-N 1 2 371.481 2.730 20 30 FFEDLO Cc1cccc(C)c1NCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000078661714 507894796 /nfs/dbraw/zinc/89/47/96/507894796.db2.gz VYRXIUIKAPIERV-UHFFFAOYSA-N 1 2 362.477 2.931 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)cc1 ZINC000073109715 507894929 /nfs/dbraw/zinc/89/49/29/507894929.db2.gz IBMOFXGVCNUIBK-UHFFFAOYSA-N 1 2 367.409 2.582 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000108528797 507901260 /nfs/dbraw/zinc/90/12/60/507901260.db2.gz BDHPWKYRGNXQHA-HUUCEWRRSA-N 1 2 362.499 2.781 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000091083942 507952700 /nfs/dbraw/zinc/95/27/00/507952700.db2.gz FAIAPWHTGMQJJJ-UHFFFAOYSA-N 1 2 368.453 2.514 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091083942 507952704 /nfs/dbraw/zinc/95/27/04/507952704.db2.gz FAIAPWHTGMQJJJ-UHFFFAOYSA-N 1 2 368.453 2.514 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000073802956 507957462 /nfs/dbraw/zinc/95/74/62/507957462.db2.gz HOXTXTVUPIAQAG-GOSISDBHSA-N 1 2 366.446 2.501 20 30 FFEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000109813947 507989304 /nfs/dbraw/zinc/98/93/04/507989304.db2.gz APPHFAYTWQCYDK-SFHVURJKSA-N 1 2 356.514 2.891 20 30 FFEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000109813947 507989305 /nfs/dbraw/zinc/98/93/05/507989305.db2.gz APPHFAYTWQCYDK-SFHVURJKSA-N 1 2 356.514 2.891 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cn(C)nc2-c2cccnc2)c1 ZINC000092143265 508045941 /nfs/dbraw/zinc/04/59/41/508045941.db2.gz YSLQBHLSJMVGIZ-UHFFFAOYSA-N 1 2 359.433 2.534 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cn(C)nc2-c2cccnc2)c1 ZINC000092143265 508045944 /nfs/dbraw/zinc/04/59/44/508045944.db2.gz YSLQBHLSJMVGIZ-UHFFFAOYSA-N 1 2 359.433 2.534 20 30 FFEDLO N#CCSCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000110982026 508062649 /nfs/dbraw/zinc/06/26/49/508062649.db2.gz FDQRKUNTCAHISV-CQSZACIVSA-N 1 2 355.866 2.816 20 30 FFEDLO N#CCSCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000110982026 508062650 /nfs/dbraw/zinc/06/26/50/508062650.db2.gz FDQRKUNTCAHISV-CQSZACIVSA-N 1 2 355.866 2.816 20 30 FFEDLO N#CCCn1cc(C[NH+]2CCN(CC(F)F)CC2)c(-c2ccccc2)n1 ZINC000092586466 508084726 /nfs/dbraw/zinc/08/47/26/508084726.db2.gz AMHNHIVIOVETOE-UHFFFAOYSA-N 1 2 359.424 2.846 20 30 FFEDLO CN(C)c1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000075957421 508146108 /nfs/dbraw/zinc/14/61/08/508146108.db2.gz JDJVGPHXBQTVJF-UHFFFAOYSA-N 1 2 363.465 2.974 20 30 FFEDLO C=CCc1cc(C[NH+]2CCN(c3nc(CC)ns3)CC2)cc(OC)c1O ZINC000093643002 508151119 /nfs/dbraw/zinc/15/11/19/508151119.db2.gz WSDZIJVWIRLLBV-UHFFFAOYSA-N 1 2 374.510 2.865 20 30 FFEDLO C=CCOc1ccccc1C[N@@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000093666974 508151735 /nfs/dbraw/zinc/15/17/35/508151735.db2.gz VSUQEDDKFLFRKT-LJQANCHMSA-N 1 2 358.482 2.855 20 30 FFEDLO C=CCOc1ccccc1C[N@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000093666974 508151738 /nfs/dbraw/zinc/15/17/38/508151738.db2.gz VSUQEDDKFLFRKT-LJQANCHMSA-N 1 2 358.482 2.855 20 30 FFEDLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093809667 508155748 /nfs/dbraw/zinc/15/57/48/508155748.db2.gz FAAPSLRELXKQNN-GOSISDBHSA-N 1 2 361.453 2.929 20 30 FFEDLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093809667 508155751 /nfs/dbraw/zinc/15/57/51/508155751.db2.gz FAAPSLRELXKQNN-GOSISDBHSA-N 1 2 361.453 2.929 20 30 FFEDLO C[N@H+](C[C@H]1OCCc2ccccc21)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083170146 508239298 /nfs/dbraw/zinc/23/92/98/508239298.db2.gz UVNCXSFXOHRCDL-QZTJIDSGSA-N 1 2 367.474 2.971 20 30 FFEDLO C[N@@H+](C[C@H]1OCCc2ccccc21)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083170146 508239301 /nfs/dbraw/zinc/23/93/01/508239301.db2.gz UVNCXSFXOHRCDL-QZTJIDSGSA-N 1 2 367.474 2.971 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000083174213 508239733 /nfs/dbraw/zinc/23/97/33/508239733.db2.gz WFHGMJALZKFXFG-UZLBHIALSA-N 1 2 364.449 2.546 20 30 FFEDLO CCOC(=O)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000101546851 508244165 /nfs/dbraw/zinc/24/41/65/508244165.db2.gz AVDDYOTYXNEWDC-GFCCVEGCSA-N 1 2 363.483 2.568 20 30 FFEDLO CCOC(=O)C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000101546851 508244166 /nfs/dbraw/zinc/24/41/66/508244166.db2.gz AVDDYOTYXNEWDC-GFCCVEGCSA-N 1 2 363.483 2.568 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000103152645 508299132 /nfs/dbraw/zinc/29/91/32/508299132.db2.gz NJBTVMGNWYZTNZ-UHFFFAOYSA-N 1 2 372.425 2.724 20 30 FFEDLO CCOc1c(Cl)cc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115597680 508416281 /nfs/dbraw/zinc/41/62/81/508416281.db2.gz AKHOXEVLHNRZPQ-KRWDZBQOSA-N 1 2 373.840 2.935 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121803193 508422163 /nfs/dbraw/zinc/42/21/63/508422163.db2.gz BCNZYWOZZFUTIW-YLJYHZDGSA-N 1 2 355.482 2.965 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121803193 508422169 /nfs/dbraw/zinc/42/21/69/508422169.db2.gz BCNZYWOZZFUTIW-YLJYHZDGSA-N 1 2 355.482 2.965 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+](CCC(F)(F)F)CC2CC2)c1 ZINC000156837890 508484439 /nfs/dbraw/zinc/48/44/39/508484439.db2.gz CXUHSRCRPFKKQA-UHFFFAOYSA-N 1 2 360.401 2.996 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+](CCC(F)(F)F)CC2CC2)c1 ZINC000156837890 508484444 /nfs/dbraw/zinc/48/44/44/508484444.db2.gz CXUHSRCRPFKKQA-UHFFFAOYSA-N 1 2 360.401 2.996 20 30 FFEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000157026635 508512281 /nfs/dbraw/zinc/51/22/81/508512281.db2.gz YVTOULFZLKWTLT-CQSZACIVSA-N 1 2 373.396 2.917 20 30 FFEDLO COC(=O)C[C@@H]1CSCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000157026635 508512284 /nfs/dbraw/zinc/51/22/84/508512284.db2.gz YVTOULFZLKWTLT-CQSZACIVSA-N 1 2 373.396 2.917 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCc4c(cccc4[N+](=O)[O-])C3)C2=O)cc1 ZINC000153375568 508577307 /nfs/dbraw/zinc/57/73/07/508577307.db2.gz KJQXKXPTBHJVNN-LJQANCHMSA-N 1 2 362.389 2.630 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCc4c(cccc4[N+](=O)[O-])C3)C2=O)cc1 ZINC000153375568 508577310 /nfs/dbraw/zinc/57/73/10/508577310.db2.gz KJQXKXPTBHJVNN-LJQANCHMSA-N 1 2 362.389 2.630 20 30 FFEDLO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)[NH+]2CCOCC2)o1 ZINC000157599561 508585296 /nfs/dbraw/zinc/58/52/96/508585296.db2.gz NJOLCPNNHXULLE-QGZVFWFLSA-N 1 2 356.382 2.853 20 30 FFEDLO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000128549787 508609880 /nfs/dbraw/zinc/60/98/80/508609880.db2.gz NUBVTXKTJJFSCC-GOSISDBHSA-N 1 2 352.413 2.644 20 30 FFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)S(=O)(=O)c1ccccc1C#N ZINC000122951302 508613059 /nfs/dbraw/zinc/61/30/59/508613059.db2.gz NAFQDJZRKALCNP-UHFFFAOYSA-N 1 2 366.446 2.624 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2cccc(Br)c2C1 ZINC000118410931 508649198 /nfs/dbraw/zinc/64/91/98/508649198.db2.gz WUKZDYACRNJCNY-LBPRGKRZSA-N 1 2 350.260 2.568 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCc2cccc(Br)c2C1 ZINC000118410931 508649202 /nfs/dbraw/zinc/64/92/02/508649202.db2.gz WUKZDYACRNJCNY-LBPRGKRZSA-N 1 2 350.260 2.568 20 30 FFEDLO C[C@@]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)(C(N)=O)c1ccccc1 ZINC000158289270 508683446 /nfs/dbraw/zinc/68/34/46/508683446.db2.gz ZHPVLOJRJQBZHT-SFHVURJKSA-N 1 2 362.351 2.927 20 30 FFEDLO C=C(C)CNC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000119058248 508716294 /nfs/dbraw/zinc/71/62/94/508716294.db2.gz CPXHHCDAWYFRSN-MRXNPFEDSA-N 1 2 371.403 2.954 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ncc(-c2ccccc2)s1 ZINC000154252945 508746498 /nfs/dbraw/zinc/74/64/98/508746498.db2.gz KXGMLAXIRWMJPA-UHFFFAOYSA-N 1 2 356.495 2.858 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000119497274 508807272 /nfs/dbraw/zinc/80/72/72/508807272.db2.gz FLYSISILJQYJMI-WBVHZDCISA-N 1 2 352.438 2.540 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000154766468 508851328 /nfs/dbraw/zinc/85/13/28/508851328.db2.gz GFGDDHNFESTBEU-UHFFFAOYSA-N 1 2 373.888 2.574 20 30 FFEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc([N+](=O)[O-])c1 ZINC000147298520 508857316 /nfs/dbraw/zinc/85/73/16/508857316.db2.gz WKRWEOMWVHPDMW-UHFFFAOYSA-N 1 2 364.405 2.733 20 30 FFEDLO CC(C)c1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000154802241 508858745 /nfs/dbraw/zinc/85/87/45/508858745.db2.gz ZHMZMEDUGWUVMF-UHFFFAOYSA-N 1 2 360.458 2.766 20 30 FFEDLO N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3[nH]cc[nH+]3)c2)c1 ZINC000120139062 508936003 /nfs/dbraw/zinc/93/60/03/508936003.db2.gz DCHNFIJIBNMBMY-UHFFFAOYSA-N 1 2 360.377 2.855 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)s1 ZINC000160348006 508974278 /nfs/dbraw/zinc/97/42/78/508974278.db2.gz OJEXMAMLYCTDFR-UHFFFAOYSA-N 1 2 364.474 2.988 20 30 FFEDLO C[C@@H](Cc1ccc(Cl)cc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000125480866 508989113 /nfs/dbraw/zinc/98/91/13/508989113.db2.gz FXCLCRGRICFGDN-INIZCTEOSA-N 1 2 363.889 2.593 20 30 FFEDLO C=CCOc1ccccc1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000120544715 509018246 /nfs/dbraw/zinc/01/82/46/509018246.db2.gz INSBQVVFOYNZCD-KRWDZBQOSA-N 1 2 352.438 2.725 20 30 FFEDLO N#Cc1cc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)ccc1OCC(F)(F)F ZINC000151464590 509022080 /nfs/dbraw/zinc/02/20/80/509022080.db2.gz HJLPCRWOUHTILF-LLVKDONJSA-N 1 2 364.327 2.897 20 30 FFEDLO COc1ccc(OC)c2c1C[N@H+](Cc1ccc(C#N)cc1OC)C[C@H]2O ZINC000120630946 509035180 /nfs/dbraw/zinc/03/51/80/509035180.db2.gz QWVSNTKYOWPGKP-MRXNPFEDSA-N 1 2 354.406 2.633 20 30 FFEDLO COc1ccc(OC)c2c1C[N@@H+](Cc1ccc(C#N)cc1OC)C[C@H]2O ZINC000120630946 509035183 /nfs/dbraw/zinc/03/51/83/509035183.db2.gz QWVSNTKYOWPGKP-MRXNPFEDSA-N 1 2 354.406 2.633 20 30 FFEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000132493787 509038790 /nfs/dbraw/zinc/03/87/90/509038790.db2.gz ILADBIYCMIBTLV-GOSISDBHSA-N 1 2 373.928 2.710 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)ccc1F ZINC000160985847 509057292 /nfs/dbraw/zinc/05/72/92/509057292.db2.gz NSGYTDNQCLASLX-UHFFFAOYSA-N 1 2 373.453 2.594 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)ccc1F ZINC000160985847 509057294 /nfs/dbraw/zinc/05/72/94/509057294.db2.gz NSGYTDNQCLASLX-UHFFFAOYSA-N 1 2 373.453 2.594 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1cc(Br)cn1C ZINC000151652487 509059770 /nfs/dbraw/zinc/05/97/70/509059770.db2.gz FGLIFYGUEAGCLP-CYBMUJFWSA-N 1 2 354.292 2.809 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(Br)cn1C ZINC000151652487 509059772 /nfs/dbraw/zinc/05/97/72/509059772.db2.gz FGLIFYGUEAGCLP-CYBMUJFWSA-N 1 2 354.292 2.809 20 30 FFEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000126075148 509060571 /nfs/dbraw/zinc/06/05/71/509060571.db2.gz SDXNBXGTRPVLGF-ZDUSSCGKSA-N 1 2 350.831 2.851 20 30 FFEDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccc(F)cc3C#N)CC2)c1 ZINC000151761464 509078593 /nfs/dbraw/zinc/07/85/93/509078593.db2.gz IKCNMQMDQPOVFR-UHFFFAOYSA-N 1 2 373.453 2.512 20 30 FFEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N[C@@H](C)c2ccccc2Cl)cs1 ZINC000121046012 509117152 /nfs/dbraw/zinc/11/71/52/509117152.db2.gz NLARIVMQJIVVAG-JTQLQIEISA-N 1 2 366.874 2.814 20 30 FFEDLO Cn1c(C[N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)nc2ccccc21 ZINC000127013065 509159186 /nfs/dbraw/zinc/15/91/86/509159186.db2.gz WNAVVAZIUDZVMA-KRWDZBQOSA-N 1 2 364.449 2.511 20 30 FFEDLO Cn1c(C[N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)nc2ccccc21 ZINC000127013065 509159191 /nfs/dbraw/zinc/15/91/91/509159191.db2.gz WNAVVAZIUDZVMA-KRWDZBQOSA-N 1 2 364.449 2.511 20 30 FFEDLO CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1[nH+]ccn1C ZINC000161953853 509166192 /nfs/dbraw/zinc/16/61/92/509166192.db2.gz ZVNSWMMUONKKNL-UHFFFAOYSA-N 1 2 357.483 2.693 20 30 FFEDLO N#Cc1cc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)ccc1Cl ZINC000121388304 509171296 /nfs/dbraw/zinc/17/12/96/509171296.db2.gz YIQJAZMKWSOILI-AWEZNQCLSA-N 1 2 350.831 2.851 20 30 FFEDLO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1cn(-c2ccccc2)nn1 ZINC000185459043 509188799 /nfs/dbraw/zinc/18/87/99/509188799.db2.gz JPKZLUKAIGXXGE-INIZCTEOSA-N 1 2 366.469 2.603 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000176201867 509375289 /nfs/dbraw/zinc/37/52/89/509375289.db2.gz KBXKVFUGTPVCAJ-UHFFFAOYSA-N 1 2 372.446 2.583 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000176201867 509375299 /nfs/dbraw/zinc/37/52/99/509375299.db2.gz KBXKVFUGTPVCAJ-UHFFFAOYSA-N 1 2 372.446 2.583 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000189118070 509419978 /nfs/dbraw/zinc/41/99/78/509419978.db2.gz IRGVXCPVYDYEKH-CQSZACIVSA-N 1 2 367.453 2.709 20 30 FFEDLO CCO[C@@H](C)c1noc(CN2CC[NH+](Cc3ccc(C#N)cc3C)CC2)n1 ZINC000186242365 509596881 /nfs/dbraw/zinc/59/68/81/509596881.db2.gz CUCFDUWJYAPKIC-INIZCTEOSA-N 1 2 369.469 2.665 20 30 FFEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3ccc(C#N)nc3)CC2)cs1 ZINC000267782582 509611415 /nfs/dbraw/zinc/61/14/15/509611415.db2.gz NPVHGQOZFKTHRP-AWEZNQCLSA-N 1 2 357.483 2.829 20 30 FFEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3ccc(C#N)nc3)CC2)cs1 ZINC000267782582 509611423 /nfs/dbraw/zinc/61/14/23/509611423.db2.gz NPVHGQOZFKTHRP-AWEZNQCLSA-N 1 2 357.483 2.829 20 30 FFEDLO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C[C@@H](O)C(F)(F)F ZINC000189539827 509628686 /nfs/dbraw/zinc/62/86/86/509628686.db2.gz SHOWEOYUFNSCRV-MRXNPFEDSA-N 1 2 371.403 2.795 20 30 FFEDLO CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C[C@@H](O)C(F)(F)F ZINC000189539827 509628688 /nfs/dbraw/zinc/62/86/88/509628688.db2.gz SHOWEOYUFNSCRV-MRXNPFEDSA-N 1 2 371.403 2.795 20 30 FFEDLO CC(C)(C)OC(=O)c1cccc(CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000183244647 509676562 /nfs/dbraw/zinc/67/65/62/509676562.db2.gz BREQNMAQBUDVTM-UHFFFAOYSA-N 1 2 373.497 2.690 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250039578 509784803 /nfs/dbraw/zinc/78/48/03/509784803.db2.gz CXTCVLFOAHWJPI-HZPDHXFCSA-N 1 2 359.470 2.830 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250039578 509784806 /nfs/dbraw/zinc/78/48/06/509784806.db2.gz CXTCVLFOAHWJPI-HZPDHXFCSA-N 1 2 359.470 2.830 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1F ZINC000176968788 509789825 /nfs/dbraw/zinc/78/98/25/509789825.db2.gz ZMUUKWFBYFMOLZ-UHFFFAOYSA-N 1 2 371.387 2.945 20 30 FFEDLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000193349190 509877322 /nfs/dbraw/zinc/87/73/22/509877322.db2.gz DXIRWLBREYFDSF-OAQYLSRUSA-N 1 2 374.444 2.680 20 30 FFEDLO CC(=O)Nc1cccc2c1CC[N@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000193349190 509877329 /nfs/dbraw/zinc/87/73/29/509877329.db2.gz DXIRWLBREYFDSF-OAQYLSRUSA-N 1 2 374.444 2.680 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000171081203 509929502 /nfs/dbraw/zinc/92/95/02/509929502.db2.gz LZCOBEWBFRBEIU-UHFFFAOYSA-N 1 2 360.458 2.578 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000171081203 509929506 /nfs/dbraw/zinc/92/95/06/509929506.db2.gz LZCOBEWBFRBEIU-UHFFFAOYSA-N 1 2 360.458 2.578 20 30 FFEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000171083010 509931721 /nfs/dbraw/zinc/93/17/21/509931721.db2.gz FWRLAWSXQBYSDP-UHFFFAOYSA-N 1 2 371.387 2.673 20 30 FFEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]O[C@@H](C)c3nc(C4CC4)no3)cn2)n1 ZINC000174134062 509963862 /nfs/dbraw/zinc/96/38/62/509963862.db2.gz ZEXFNMCTHIQSCW-LBPRGKRZSA-N 1 2 367.413 2.543 20 30 FFEDLO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000180585676 509998346 /nfs/dbraw/zinc/99/83/46/509998346.db2.gz QVQUKNPHSIFJTF-INIZCTEOSA-N 1 2 373.464 2.553 20 30 FFEDLO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000180585676 509998350 /nfs/dbraw/zinc/99/83/50/509998350.db2.gz QVQUKNPHSIFJTF-INIZCTEOSA-N 1 2 373.464 2.553 20 30 FFEDLO C=C(C)COCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245689470 510088629 /nfs/dbraw/zinc/08/86/29/510088629.db2.gz OKNACVOVPMGNMB-SJORKVTESA-N 1 2 353.413 2.602 20 30 FFEDLO C=C(C)COCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245689470 510088633 /nfs/dbraw/zinc/08/86/33/510088633.db2.gz OKNACVOVPMGNMB-SJORKVTESA-N 1 2 353.413 2.602 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000174427061 510109841 /nfs/dbraw/zinc/10/98/41/510109841.db2.gz KJCCVDHAPSVBAO-AWEZNQCLSA-N 1 2 370.234 2.730 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000174427061 510109845 /nfs/dbraw/zinc/10/98/45/510109845.db2.gz KJCCVDHAPSVBAO-AWEZNQCLSA-N 1 2 370.234 2.730 20 30 FFEDLO N#CCC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)CC1CC1 ZINC000174689985 510252623 /nfs/dbraw/zinc/25/26/23/510252623.db2.gz AEMPHWXANAYXHW-SFHVURJKSA-N 1 2 369.465 2.747 20 30 FFEDLO N#CCC[N@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)CC1CC1 ZINC000174689985 510252629 /nfs/dbraw/zinc/25/26/29/510252629.db2.gz AEMPHWXANAYXHW-SFHVURJKSA-N 1 2 369.465 2.747 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000246121466 510306624 /nfs/dbraw/zinc/30/66/24/510306624.db2.gz OGYUWBZNWULLLG-FUHWJXTLSA-N 1 2 374.462 2.513 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000246121466 510306631 /nfs/dbraw/zinc/30/66/31/510306631.db2.gz OGYUWBZNWULLLG-FUHWJXTLSA-N 1 2 374.462 2.513 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)C[C@H](O)C(F)(F)F)c1 ZINC000181313343 510351767 /nfs/dbraw/zinc/35/17/67/510351767.db2.gz ZTVDYUMRTXYGSU-HOCLYGCPSA-N 1 2 371.403 2.794 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)C[C@H](O)C(F)(F)F)c1 ZINC000181313343 510351772 /nfs/dbraw/zinc/35/17/72/510351772.db2.gz ZTVDYUMRTXYGSU-HOCLYGCPSA-N 1 2 371.403 2.794 20 30 FFEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000266167900 510445058 /nfs/dbraw/zinc/44/50/58/510445058.db2.gz BAMWQSMQMHTSTA-NEPJUHHUSA-N 1 2 373.400 2.965 20 30 FFEDLO COc1cc(Cl)cc(C[NH+]2CCN(c3ncccc3C#N)CC2)c1O ZINC000184676510 510455140 /nfs/dbraw/zinc/45/51/40/510455140.db2.gz AZGZKGNGMNJAFW-UHFFFAOYSA-N 1 2 358.829 2.643 20 30 FFEDLO CCOc1ccccc1NC(=O)[C@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000266193710 510455608 /nfs/dbraw/zinc/45/56/08/510455608.db2.gz IZSHZJTUEWTNOZ-KGLIPLIRSA-N 1 2 351.447 2.762 20 30 FFEDLO CC[C@H](C)NC(=O)[C@H](C)O[NH+]=C(N)c1cccc(OCc2cccnc2)c1 ZINC000178155793 510461274 /nfs/dbraw/zinc/46/12/74/510461274.db2.gz GYFKGIYDQGWREG-GJZGRUSLSA-N 1 2 370.453 2.601 20 30 FFEDLO C#CCOc1cc(F)ccc1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000266410781 510568821 /nfs/dbraw/zinc/56/88/21/510568821.db2.gz OOYFENUFLXOOBX-UHFFFAOYSA-N 1 2 368.412 2.582 20 30 FFEDLO CCN(C)c1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cn1 ZINC000191250791 510569959 /nfs/dbraw/zinc/56/99/59/510569959.db2.gz RDUJMYDCOQENPI-UHFFFAOYSA-N 1 2 353.445 2.871 20 30 FFEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000175382409 510618348 /nfs/dbraw/zinc/61/83/48/510618348.db2.gz MBRGCKJMSWTXAF-ODCWNRFASA-N 1 2 361.511 2.759 20 30 FFEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000175382409 510618354 /nfs/dbraw/zinc/61/83/54/510618354.db2.gz MBRGCKJMSWTXAF-ODCWNRFASA-N 1 2 361.511 2.759 20 30 FFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188246958 510666805 /nfs/dbraw/zinc/66/68/05/510666805.db2.gz FRDXMPNJBFQLPI-CQSZACIVSA-N 1 2 353.397 2.922 20 30 FFEDLO C=CCn1c(SCC[N@@H+]2CCO[C@@H](C)C2)nnc1-c1ccc(OC)cc1 ZINC000188249438 510669536 /nfs/dbraw/zinc/66/95/36/510669536.db2.gz GGEDTXTUXUUSAG-HNNXBMFYSA-N 1 2 374.510 2.953 20 30 FFEDLO C=CCn1c(SCC[N@H+]2CCO[C@@H](C)C2)nnc1-c1ccc(OC)cc1 ZINC000188249438 510669546 /nfs/dbraw/zinc/66/95/46/510669546.db2.gz GGEDTXTUXUUSAG-HNNXBMFYSA-N 1 2 374.510 2.953 20 30 FFEDLO CCC1(CC)C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[S@]1=O ZINC000185232867 510762611 /nfs/dbraw/zinc/76/26/11/510762611.db2.gz IRSSFEPBRLMWEW-WXTAPIANSA-N 1 2 373.522 2.677 20 30 FFEDLO CCC1(CC)C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[S@]1=O ZINC000185232867 510762617 /nfs/dbraw/zinc/76/26/17/510762617.db2.gz IRSSFEPBRLMWEW-WXTAPIANSA-N 1 2 373.522 2.677 20 30 FFEDLO Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)c(C)c1 ZINC000329912019 510875420 /nfs/dbraw/zinc/87/54/20/510875420.db2.gz OEPGYVNYYKYBMW-GHTZIAJQSA-N 1 2 360.498 2.991 20 30 FFEDLO Cc1cc(C)c(CCNC(=O)C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)c(C)c1 ZINC000329912019 510875425 /nfs/dbraw/zinc/87/54/25/510875425.db2.gz OEPGYVNYYKYBMW-GHTZIAJQSA-N 1 2 360.498 2.991 20 30 FFEDLO CO[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)C1 ZINC000329962727 510888556 /nfs/dbraw/zinc/88/85/56/510888556.db2.gz SVWGUECMFQWSCJ-LJISPDSOSA-N 1 2 355.479 2.732 20 30 FFEDLO CO[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)C1 ZINC000329962727 510888564 /nfs/dbraw/zinc/88/85/64/510888564.db2.gz SVWGUECMFQWSCJ-LJISPDSOSA-N 1 2 355.479 2.732 20 30 FFEDLO C[C@@H]1C[N@@H+]([C@H](CNC(=O)[C@@H]2CCc3c[nH]nc3C2)c2cccs2)CCO1 ZINC000330056964 510907815 /nfs/dbraw/zinc/90/78/15/510907815.db2.gz WRVQLMRLVGEANW-CKEIUWERSA-N 1 2 374.510 2.995 20 30 FFEDLO C[C@@H]1C[N@H+]([C@H](CNC(=O)[C@@H]2CCc3c[nH]nc3C2)c2cccs2)CCO1 ZINC000330056964 510907819 /nfs/dbraw/zinc/90/78/19/510907819.db2.gz WRVQLMRLVGEANW-CKEIUWERSA-N 1 2 374.510 2.995 20 30 FFEDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCOC2(CCCC2)C1 ZINC000330071158 510911566 /nfs/dbraw/zinc/91/15/66/510911566.db2.gz IRRJXZULOFLBTL-UHFFFAOYSA-N 1 2 354.454 2.990 20 30 FFEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)C[C@]2(CCOC2)O1 ZINC000330085762 510914054 /nfs/dbraw/zinc/91/40/54/510914054.db2.gz DCYWNNNJCBSVKE-OGWOLHLISA-N 1 2 367.490 2.848 20 30 FFEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)C[C@]2(CCOC2)O1 ZINC000330085762 510914059 /nfs/dbraw/zinc/91/40/59/510914059.db2.gz DCYWNNNJCBSVKE-OGWOLHLISA-N 1 2 367.490 2.848 20 30 FFEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCO[C@@H](C2CC2)C1 ZINC000330140517 510924728 /nfs/dbraw/zinc/92/47/28/510924728.db2.gz PNZLYTHHIJGNEW-OAHLLOKOSA-N 1 2 350.488 2.785 20 30 FFEDLO C=CCN(C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)C1CC1 ZINC000276102734 510927337 /nfs/dbraw/zinc/92/73/37/510927337.db2.gz NVDAPBRVAIPYBQ-UHFFFAOYSA-N 1 2 352.438 2.878 20 30 FFEDLO C=C(C)COc1cc(C[NH+]2CC([C@H](F)C(=O)OCC)C2)ccc1OC ZINC000294006968 510927725 /nfs/dbraw/zinc/92/77/25/510927725.db2.gz TYLHCZCOOIRLET-SFHVURJKSA-N 1 2 351.418 2.983 20 30 FFEDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCOC[C@H](C2CCC2)C1 ZINC000330173328 510929506 /nfs/dbraw/zinc/92/95/06/510929506.db2.gz HFJYDAPEBCREES-QGZVFWFLSA-N 1 2 358.486 2.713 20 30 FFEDLO CC(=O)N1CC[C@H](C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000330173901 510930057 /nfs/dbraw/zinc/93/00/57/510930057.db2.gz HUWJELPGQWEMFK-MPGHIAIKSA-N 1 2 359.470 2.752 20 30 FFEDLO O=C(N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1[C@@H]2CC[C@H]1CC(=O)C2)C1CCCCC1 ZINC000330195872 510935209 /nfs/dbraw/zinc/93/52/09/510935209.db2.gz ZXSXOPPJOGXUOG-SOLBZPMBSA-N 1 2 372.469 2.580 20 30 FFEDLO O=C(N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1[C@@H]2CC[C@H]1CC(=O)C2)C1CCCCC1 ZINC000330195872 510935213 /nfs/dbraw/zinc/93/52/13/510935213.db2.gz ZXSXOPPJOGXUOG-SOLBZPMBSA-N 1 2 372.469 2.580 20 30 FFEDLO COCCN(C)c1ccc(/C=C/C(=O)c2ccc(C(=O)OC)cc2)c[nH+]1 ZINC000276596152 510942535 /nfs/dbraw/zinc/94/25/35/510942535.db2.gz HKUBQYLGZWHTRW-ONNFQVAWSA-N 1 2 354.406 2.847 20 30 FFEDLO Cc1nsc(NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c1C#N ZINC000297449378 510950179 /nfs/dbraw/zinc/95/01/79/510950179.db2.gz OXMVBJUXAXCVOP-INIZCTEOSA-N 1 2 371.466 2.518 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282404388 510962819 /nfs/dbraw/zinc/96/28/19/510962819.db2.gz SFUVUHYWMZAEOK-INIZCTEOSA-N 1 2 370.478 2.659 20 30 FFEDLO O=C(NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000330341070 510969707 /nfs/dbraw/zinc/96/97/07/510969707.db2.gz YTUNCERKQQSXDZ-NWDGAFQWSA-N 1 2 367.375 2.880 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H](C)C1 ZINC000282461253 510987322 /nfs/dbraw/zinc/98/73/22/510987322.db2.gz QCCDILHAHBIPGL-OAHLLOKOSA-N 1 2 352.438 2.632 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H](C)C1 ZINC000282461253 510987325 /nfs/dbraw/zinc/98/73/25/510987325.db2.gz QCCDILHAHBIPGL-OAHLLOKOSA-N 1 2 352.438 2.632 20 30 FFEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F ZINC000330613611 511003459 /nfs/dbraw/zinc/00/34/59/511003459.db2.gz ACYMUUCZTLDJLO-NSHDSACASA-N 1 2 362.396 2.682 20 30 FFEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F ZINC000330613611 511003461 /nfs/dbraw/zinc/00/34/61/511003461.db2.gz ACYMUUCZTLDJLO-NSHDSACASA-N 1 2 362.396 2.682 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)NC[C@H](O)C(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000330831437 511020853 /nfs/dbraw/zinc/02/08/53/511020853.db2.gz YDQLRYOTWRHRRB-YQQAZPJKSA-N 1 2 373.419 2.760 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)NC[C@H](O)C(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000330831437 511020859 /nfs/dbraw/zinc/02/08/59/511020859.db2.gz YDQLRYOTWRHRRB-YQQAZPJKSA-N 1 2 373.419 2.760 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1C ZINC000286532356 511027476 /nfs/dbraw/zinc/02/74/76/511027476.db2.gz NUOXUBZHDDLBLA-GDBMZVCRSA-N 1 2 358.404 2.966 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1C ZINC000286532356 511027480 /nfs/dbraw/zinc/02/74/80/511027480.db2.gz NUOXUBZHDDLBLA-GDBMZVCRSA-N 1 2 358.404 2.966 20 30 FFEDLO C=CCOc1ccc(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)cc1 ZINC000286614774 511028647 /nfs/dbraw/zinc/02/86/47/511028647.db2.gz QOOPPWGSSYMMGD-KRWDZBQOSA-N 1 2 354.454 2.862 20 30 FFEDLO C=CCOc1ccc(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)cc1 ZINC000286614774 511028650 /nfs/dbraw/zinc/02/86/50/511028650.db2.gz QOOPPWGSSYMMGD-KRWDZBQOSA-N 1 2 354.454 2.862 20 30 FFEDLO CC(=O)N1CC[NH+](CCNC(=O)c2ccc(C(C)C)c(Cl)c2)CC1 ZINC000330964622 511032735 /nfs/dbraw/zinc/03/27/35/511032735.db2.gz ZZVNIQSQJODCJR-UHFFFAOYSA-N 1 2 351.878 2.932 20 30 FFEDLO C[C@@H](CCC#N)[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000297721402 511046672 /nfs/dbraw/zinc/04/66/72/511046672.db2.gz BLHINWJMMDLVKK-LBPRGKRZSA-N 1 2 361.920 2.790 20 30 FFEDLO C[C@@H](CCC#N)[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000297721402 511046674 /nfs/dbraw/zinc/04/66/74/511046674.db2.gz BLHINWJMMDLVKK-LBPRGKRZSA-N 1 2 361.920 2.790 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(Br)c(F)c1 ZINC000331240441 511053263 /nfs/dbraw/zinc/05/32/63/511053263.db2.gz JHIGVFLJTWRXGB-JTQLQIEISA-N 1 2 360.227 2.635 20 30 FFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000331359545 511064765 /nfs/dbraw/zinc/06/47/65/511064765.db2.gz WPZLTUNQVMXPEV-MFKMUULPSA-N 1 2 369.206 2.512 20 30 FFEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@]2(CCOC2)O1 ZINC000331482368 511066258 /nfs/dbraw/zinc/06/62/58/511066258.db2.gz GLWIDHPARFIHRH-DSKINZAPSA-N 1 2 371.481 2.592 20 30 FFEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@]2(CCOC2)O1 ZINC000331482368 511066262 /nfs/dbraw/zinc/06/62/62/511066262.db2.gz GLWIDHPARFIHRH-DSKINZAPSA-N 1 2 371.481 2.592 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000331658091 511069842 /nfs/dbraw/zinc/06/98/42/511069842.db2.gz LTWINUYMUFLRFT-WBVHZDCISA-N 1 2 372.517 2.792 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000331658091 511069844 /nfs/dbraw/zinc/06/98/44/511069844.db2.gz LTWINUYMUFLRFT-WBVHZDCISA-N 1 2 372.517 2.792 20 30 FFEDLO C[C@H]1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000282708241 511081679 /nfs/dbraw/zinc/08/16/79/511081679.db2.gz KZBUKJUSUBVCJM-KXBFYZLASA-N 1 2 360.421 2.664 20 30 FFEDLO N#CCCCOc1cccnc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000364889288 511135761 /nfs/dbraw/zinc/13/57/61/511135761.db2.gz QJQQKFHDUWRBHJ-AWEZNQCLSA-N 1 2 354.414 2.899 20 30 FFEDLO COc1c(O)cccc1/C=C/C(=O)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000290751252 511150580 /nfs/dbraw/zinc/15/05/80/511150580.db2.gz QUGZXMYBVRITJQ-FNORWQNLSA-N 1 2 369.417 2.835 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc(C4CCCC4)no3)CC2)cc1 ZINC000333437846 511243855 /nfs/dbraw/zinc/24/38/55/511243855.db2.gz JCQQNJAAMGXVQT-UHFFFAOYSA-N 1 2 351.454 2.917 20 30 FFEDLO Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)[NH+]2CCOCC2)cc1 ZINC000298336930 511249855 /nfs/dbraw/zinc/24/98/55/511249855.db2.gz GBVYFNWHPVZRJJ-YSIASYRMSA-N 1 2 370.497 2.750 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cc(C#N)ccn2)C[C@H](C)O1 ZINC000283136770 511250049 /nfs/dbraw/zinc/25/00/49/511250049.db2.gz UXTXELJJPRMIRS-GASCZTMLSA-N 1 2 350.422 2.815 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cc(C#N)ccn2)C[C@H](C)O1 ZINC000283136770 511250052 /nfs/dbraw/zinc/25/00/52/511250052.db2.gz UXTXELJJPRMIRS-GASCZTMLSA-N 1 2 350.422 2.815 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2[nH+]ccn2C)cc1 ZINC000271641666 511272309 /nfs/dbraw/zinc/27/23/09/511272309.db2.gz AZAZDTFNWCBUEQ-UHFFFAOYSA-N 1 2 367.453 2.898 20 30 FFEDLO Cc1cc(NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)nn1CCC#N ZINC000272037012 511409122 /nfs/dbraw/zinc/40/91/22/511409122.db2.gz FJCCYVDHARVUNG-UHFFFAOYSA-N 1 2 367.457 2.812 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292113717 511470129 /nfs/dbraw/zinc/47/01/29/511470129.db2.gz HHLQCBHLFCGIOV-SWLSCSKDSA-N 1 2 372.375 2.712 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292113717 511470134 /nfs/dbraw/zinc/47/01/34/511470134.db2.gz HHLQCBHLFCGIOV-SWLSCSKDSA-N 1 2 372.375 2.712 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CC(C)(C)CC#N)c1ccccc1F ZINC000295689458 511484325 /nfs/dbraw/zinc/48/43/25/511484325.db2.gz DDMOPDSHNATOFE-HNNXBMFYSA-N 1 2 364.446 2.508 20 30 FFEDLO N#CC1(NC(=O)CN2CCc3c([nH+]cn3-c3ccccc3)C2)CCCCC1 ZINC000272456016 511495328 /nfs/dbraw/zinc/49/53/28/511495328.db2.gz CRUXRXGJFDMMQL-UHFFFAOYSA-N 1 2 363.465 2.573 20 30 FFEDLO C=CCOC[C@H]1NC(=O)N(c2cccc(-c3[nH+]ccn3CCCC)c2)C1=O ZINC000348644792 511495662 /nfs/dbraw/zinc/49/56/62/511495662.db2.gz CKILXRXKYNIAIE-QGZVFWFLSA-N 1 2 368.437 2.978 20 30 FFEDLO N#Cc1cccc(Oc2ccc(N3C(=O)N[C@@H](Cc4c[nH+]c[nH]4)C3=O)cc2)c1 ZINC000348662636 511500329 /nfs/dbraw/zinc/50/03/29/511500329.db2.gz SFOXWFOVCPJEAL-SFHVURJKSA-N 1 2 373.372 2.741 20 30 FFEDLO CC(C)(C#N)CCCCn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000365528666 511506010 /nfs/dbraw/zinc/50/60/10/511506010.db2.gz SOWDFQJPTDEZAM-GOSISDBHSA-N 1 2 368.485 2.967 20 30 FFEDLO CC(C)(C#N)CCCCn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000365528666 511506015 /nfs/dbraw/zinc/50/60/15/511506015.db2.gz SOWDFQJPTDEZAM-GOSISDBHSA-N 1 2 368.485 2.967 20 30 FFEDLO C[C@@H]1CC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1(C)C ZINC000273575858 511539605 /nfs/dbraw/zinc/53/96/05/511539605.db2.gz CZPRRMMGOPFGTK-UKRRQHHQSA-N 1 2 352.438 2.880 20 30 FFEDLO C[C@@H]1CC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1(C)C ZINC000273575858 511539614 /nfs/dbraw/zinc/53/96/14/511539614.db2.gz CZPRRMMGOPFGTK-UKRRQHHQSA-N 1 2 352.438 2.880 20 30 FFEDLO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000295881715 511544925 /nfs/dbraw/zinc/54/49/25/511544925.db2.gz HBXJWCPBLFHKJC-SFHVURJKSA-N 1 2 371.460 2.777 20 30 FFEDLO COc1ccccc1[C@@H](NC(=O)c1ccc(C#N)c(C)n1)c1[nH+]ccn1C ZINC000363435071 511550657 /nfs/dbraw/zinc/55/06/57/511550657.db2.gz FIWWNCQLJFYXEM-GOSISDBHSA-N 1 2 361.405 2.523 20 30 FFEDLO CSc1nnc(CCC/[NH+]=C/c2ccc(O)c(O)c2O)n1CC(C)C ZINC000299364093 511608290 /nfs/dbraw/zinc/60/82/90/511608290.db2.gz WYUZOTCRJPIQFH-GIJQJNRQSA-N 1 2 364.471 2.825 20 30 FFEDLO COc1cc[nH+]cc1CNC(=O)NCCSCc1ccccc1C#N ZINC000292480763 511612811 /nfs/dbraw/zinc/61/28/11/511612811.db2.gz QQMCJTLOUQPLOJ-UHFFFAOYSA-N 1 2 356.451 2.694 20 30 FFEDLO N#CCCOCCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000292684493 511684722 /nfs/dbraw/zinc/68/47/22/511684722.db2.gz MMDGTPLUTALZEG-UHFFFAOYSA-N 1 2 357.483 2.885 20 30 FFEDLO C=CCNC(=O)c1cccc(-c2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)c1 ZINC000350023286 511703493 /nfs/dbraw/zinc/70/34/93/511703493.db2.gz IDFILFRGLIAYML-UHFFFAOYSA-N 1 2 372.388 2.900 20 30 FFEDLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366177412 511882873 /nfs/dbraw/zinc/88/28/73/511882873.db2.gz JQLSURXXQZIDTQ-CQSZACIVSA-N 1 2 363.425 2.506 20 30 FFEDLO C#C[C@@H](NC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C(C)C ZINC000281581176 511897938 /nfs/dbraw/zinc/89/79/38/511897938.db2.gz QPUJZPVPRSVQAU-GOSISDBHSA-N 1 2 364.449 2.599 20 30 FFEDLO Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000328695597 511916077 /nfs/dbraw/zinc/91/60/77/511916077.db2.gz TWHDRPUYRDDXNI-SFHVURJKSA-N 1 2 354.454 2.635 20 30 FFEDLO N#CCCOCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000293309356 511918881 /nfs/dbraw/zinc/91/88/81/511918881.db2.gz BUXZSUAVROUSCS-UHFFFAOYSA-N 1 2 356.253 2.681 20 30 FFEDLO O=C(NCCC1(O)CCC1)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000328901954 511947714 /nfs/dbraw/zinc/94/77/14/511947714.db2.gz ZTEISNJYIIVVPQ-CQSZACIVSA-N 1 2 367.440 2.738 20 30 FFEDLO O=C(NCCC1(O)CCC1)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000328901954 511947718 /nfs/dbraw/zinc/94/77/18/511947718.db2.gz ZTEISNJYIIVVPQ-CQSZACIVSA-N 1 2 367.440 2.738 20 30 FFEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)c2ccc3c(c2)CCC=C3)CC1 ZINC000328920572 511950245 /nfs/dbraw/zinc/95/02/45/511950245.db2.gz SYXMEFVYIKSLNY-OAHLLOKOSA-N 1 2 353.466 2.911 20 30 FFEDLO COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000328995169 511963210 /nfs/dbraw/zinc/96/32/10/511963210.db2.gz FENHYHMVIUBFGT-IMJJTQAJSA-N 1 2 360.458 2.753 20 30 FFEDLO COc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000328995169 511963218 /nfs/dbraw/zinc/96/32/18/511963218.db2.gz FENHYHMVIUBFGT-IMJJTQAJSA-N 1 2 360.458 2.753 20 30 FFEDLO O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000328997634 511965099 /nfs/dbraw/zinc/96/50/99/511965099.db2.gz UUOGOYXHIPSJOS-HOTGVXAUSA-N 1 2 352.438 2.972 20 30 FFEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](CC(=O)Nc2c(C)cccc2C)C1 ZINC000329014641 511966843 /nfs/dbraw/zinc/96/68/43/511966843.db2.gz JMRYORNAIBFUPJ-IRXDYDNUSA-N 1 2 359.470 2.603 20 30 FFEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](CC(=O)Nc2c(C)cccc2C)C1 ZINC000329014641 511966851 /nfs/dbraw/zinc/96/68/51/511966851.db2.gz JMRYORNAIBFUPJ-IRXDYDNUSA-N 1 2 359.470 2.603 20 30 FFEDLO C=CCC(C)(C)CNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000293442005 511967203 /nfs/dbraw/zinc/96/72/03/511967203.db2.gz RGACEYXRBRTAJH-INIZCTEOSA-N 1 2 373.497 2.737 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)NC1CCC(F)(F)CC1)C1CCOCC1 ZINC000329084697 511979387 /nfs/dbraw/zinc/97/93/87/511979387.db2.gz TXMQOYKFZCLZGR-CQSZACIVSA-N 1 2 356.417 2.969 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000281888549 512000914 /nfs/dbraw/zinc/00/09/14/512000914.db2.gz WBQBLCMWZQLNIR-NJAFHUGGSA-N 1 2 372.444 2.929 20 30 FFEDLO C=CC[C@@H](C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)c1ccccc1 ZINC000274983352 512006201 /nfs/dbraw/zinc/00/62/01/512006201.db2.gz FORKKVXJRCDCHU-LJQANCHMSA-N 1 2 351.450 2.894 20 30 FFEDLO CC[C@@H]1CC[C@@H](C)N1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329313452 512025298 /nfs/dbraw/zinc/02/52/98/512025298.db2.gz GUGMEYMNLGLROI-NPNMTCQASA-N 1 2 373.501 2.792 20 30 FFEDLO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@]1(CO)CCOC1 ZINC000329327763 512027908 /nfs/dbraw/zinc/02/79/08/512027908.db2.gz XKSKUEZSPJQSPB-SFHVURJKSA-N 1 2 363.483 2.560 20 30 FFEDLO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@]1(CO)CCOC1 ZINC000329327763 512027910 /nfs/dbraw/zinc/02/79/10/512027910.db2.gz XKSKUEZSPJQSPB-SFHVURJKSA-N 1 2 363.483 2.560 20 30 FFEDLO N#CCCCCS(=O)(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000285224449 512043921 /nfs/dbraw/zinc/04/39/21/512043921.db2.gz GTYMQBMRBCCPNO-QGZVFWFLSA-N 1 2 361.467 2.724 20 30 FFEDLO O=C(Nc1cccc2c1OCO2)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000329442169 512047182 /nfs/dbraw/zinc/04/71/82/512047182.db2.gz KEKIHVKLJPCZIB-UHFFFAOYSA-N 1 2 357.385 2.918 20 30 FFEDLO Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC000329453143 512049815 /nfs/dbraw/zinc/04/98/15/512049815.db2.gz NNAYGBAFWIZBKM-HOTGVXAUSA-N 1 2 367.453 2.676 20 30 FFEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329465250 512052077 /nfs/dbraw/zinc/05/20/77/512052077.db2.gz VAIFQONWPPSAIF-KBPBESRZSA-N 1 2 367.877 2.650 20 30 FFEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329465250 512052080 /nfs/dbraw/zinc/05/20/80/512052080.db2.gz VAIFQONWPPSAIF-KBPBESRZSA-N 1 2 367.877 2.650 20 30 FFEDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@@H]1CCCCS1 ZINC000329494915 512056763 /nfs/dbraw/zinc/05/67/63/512056763.db2.gz DITSSCRIUBXYQB-MSOLQXFVSA-N 1 2 363.527 2.677 20 30 FFEDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@@H]1CCCCS1 ZINC000329494915 512056768 /nfs/dbraw/zinc/05/67/68/512056768.db2.gz DITSSCRIUBXYQB-MSOLQXFVSA-N 1 2 363.527 2.677 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285263718 512058269 /nfs/dbraw/zinc/05/82/69/512058269.db2.gz IAZBFUPSYDIGCW-QFBILLFUSA-N 1 2 364.511 2.533 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285263718 512058273 /nfs/dbraw/zinc/05/82/73/512058273.db2.gz IAZBFUPSYDIGCW-QFBILLFUSA-N 1 2 364.511 2.533 20 30 FFEDLO Cc1nc(N2CCN(CC(=O)Nc3nc4c(s3)CCCC4)CC2)cc[nH+]1 ZINC000329511366 512060890 /nfs/dbraw/zinc/06/08/90/512060890.db2.gz KMVQXAZDBAFNKQ-UHFFFAOYSA-N 1 2 372.498 2.531 20 30 FFEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCOC(C)(C)[C@H]1C)C1CCOCC1 ZINC000329517416 512062220 /nfs/dbraw/zinc/06/22/20/512062220.db2.gz ZBSAYQDZWXBFPW-GDBMZVCRSA-N 1 2 364.490 2.784 20 30 FFEDLO CC1(C)CN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000329625974 512078852 /nfs/dbraw/zinc/07/88/52/512078852.db2.gz SZYFCVLGRKYIQZ-XGKMFUNXSA-N 1 2 358.486 2.851 20 30 FFEDLO CC1(C)CN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000329625974 512078854 /nfs/dbraw/zinc/07/88/54/512078854.db2.gz SZYFCVLGRKYIQZ-XGKMFUNXSA-N 1 2 358.486 2.851 20 30 FFEDLO C[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)[C@@H](c2ccccc2)C1 ZINC000329658707 512082612 /nfs/dbraw/zinc/08/26/12/512082612.db2.gz NLPAWKYWKISOOR-GOSISDBHSA-N 1 2 361.511 2.779 20 30 FFEDLO C[N@H+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)[C@@H](c2ccccc2)C1 ZINC000329658707 512082615 /nfs/dbraw/zinc/08/26/15/512082615.db2.gz NLPAWKYWKISOOR-GOSISDBHSA-N 1 2 361.511 2.779 20 30 FFEDLO O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)Nc1nc2c(s1)CCC2 ZINC000329755687 512093712 /nfs/dbraw/zinc/09/37/12/512093712.db2.gz LSQLRFQKGJXRHX-CYBMUJFWSA-N 1 2 362.499 2.554 20 30 FFEDLO O=C(C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)Nc1nc2c(s1)CCC2 ZINC000329755687 512093714 /nfs/dbraw/zinc/09/37/14/512093714.db2.gz LSQLRFQKGJXRHX-CYBMUJFWSA-N 1 2 362.499 2.554 20 30 FFEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@@H]3CCCCC34CCCC4)CC2)cn1 ZINC000329790783 512097741 /nfs/dbraw/zinc/09/77/41/512097741.db2.gz DABLQTJFQLMVLM-GOSISDBHSA-N 1 2 359.518 2.955 20 30 FFEDLO CC1(C)C(=O)NC(=O)N1CC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000329882031 512105089 /nfs/dbraw/zinc/10/50/89/512105089.db2.gz PIKMFGPHEFQWTP-UHFFFAOYSA-N 1 2 359.430 2.699 20 30 FFEDLO CCN1CCN(C(=O)Nc2cccc3ccn(C)c32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329893837 512105780 /nfs/dbraw/zinc/10/57/80/512105780.db2.gz AZZXIOUCBZXIPS-MRXNPFEDSA-N 1 2 352.442 2.826 20 30 FFEDLO CCN1CCN(Cc2ccc(Br)cc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000367863882 512695685 /nfs/dbraw/zinc/69/56/85/512695685.db2.gz GKEJLEHXAXYMHY-INIZCTEOSA-N 1 2 374.286 2.923 20 30 FFEDLO COc1ccccc1[C@@H](NC(=O)N1CCC(C)(C#N)CC1)c1[nH+]ccn1C ZINC000369999804 512719345 /nfs/dbraw/zinc/71/93/45/512719345.db2.gz SFVMQEGANQSLQC-QGZVFWFLSA-N 1 2 367.453 2.853 20 30 FFEDLO C=CCN(CCc1ccco1)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000378499702 512793037 /nfs/dbraw/zinc/79/30/37/512793037.db2.gz VKNSCGDFVGRZBD-UHFFFAOYSA-N 1 2 351.410 2.801 20 30 FFEDLO Cc1cc(C#N)nc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000376446487 512821650 /nfs/dbraw/zinc/82/16/50/512821650.db2.gz CASIWMQNNSWKQO-IRXDYDNUSA-N 1 2 357.845 2.794 20 30 FFEDLO Cc1cc(C#N)nc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000376446487 512821652 /nfs/dbraw/zinc/82/16/52/512821652.db2.gz CASIWMQNNSWKQO-IRXDYDNUSA-N 1 2 357.845 2.794 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1csnn1 ZINC000412034849 512921158 /nfs/dbraw/zinc/92/11/58/512921158.db2.gz GTKINVSJOCTLPP-QWHCGFSZSA-N 1 2 359.455 2.533 20 30 FFEDLO N#C[C@@H](C1CCCCC1)n1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000368396180 512928568 /nfs/dbraw/zinc/92/85/68/512928568.db2.gz ACAFGADQDUSHAR-RBUKOAKNSA-N 1 2 366.469 2.892 20 30 FFEDLO N#C[C@@H](C1CCCCC1)n1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000368396180 512928571 /nfs/dbraw/zinc/92/85/71/512928571.db2.gz ACAFGADQDUSHAR-RBUKOAKNSA-N 1 2 366.469 2.892 20 30 FFEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368627635 513033774 /nfs/dbraw/zinc/03/37/74/513033774.db2.gz JBKSLELJKBJEFM-AWEZNQCLSA-N 1 2 362.355 2.637 20 30 FFEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368627635 513033776 /nfs/dbraw/zinc/03/37/76/513033776.db2.gz JBKSLELJKBJEFM-AWEZNQCLSA-N 1 2 362.355 2.637 20 30 FFEDLO Cn1c[nH+]cc1CSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N ZINC000439546603 513138140 /nfs/dbraw/zinc/13/81/40/513138140.db2.gz WITQLIJUVVEJAL-UHFFFAOYSA-N 1 2 364.434 2.814 20 30 FFEDLO CCOC(=O)c1c(NC(=O)N[C@@H](C)c2[nH+]ccn2CC)c(C#N)cn1CC ZINC000421188185 513143552 /nfs/dbraw/zinc/14/35/52/513143552.db2.gz XCSRCRNUFKNTLK-LBPRGKRZSA-N 1 2 372.429 2.655 20 30 FFEDLO CCOC1(C)CC[NH+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000428745262 513180469 /nfs/dbraw/zinc/18/04/69/513180469.db2.gz PAGGBHGQZVZMRS-UHFFFAOYSA-N 1 2 367.453 2.573 20 30 FFEDLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428778677 513189034 /nfs/dbraw/zinc/18/90/34/513189034.db2.gz CSFJTMFEQVZJNU-IEBWSBKVSA-N 1 2 351.406 2.711 20 30 FFEDLO CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428778677 513189040 /nfs/dbraw/zinc/18/90/40/513189040.db2.gz CSFJTMFEQVZJNU-IEBWSBKVSA-N 1 2 351.406 2.711 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)CCOCC1 ZINC000424602027 513199670 /nfs/dbraw/zinc/19/96/70/513199670.db2.gz VWSOELNRENKPGW-FQEVSTJZSA-N 1 2 372.509 2.857 20 30 FFEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1cccc(Cl)c1C#N ZINC000450466494 513208920 /nfs/dbraw/zinc/20/89/20/513208920.db2.gz IVZXXSLRCOWMOI-ZFWWWQNUSA-N 1 2 361.852 2.994 20 30 FFEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1cccc(Cl)c1C#N ZINC000450466494 513208927 /nfs/dbraw/zinc/20/89/27/513208927.db2.gz IVZXXSLRCOWMOI-ZFWWWQNUSA-N 1 2 361.852 2.994 20 30 FFEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)no1 ZINC000450467795 513209360 /nfs/dbraw/zinc/20/93/60/513209360.db2.gz LYZQZJHJQYVNPV-HNNXBMFYSA-N 1 2 370.413 2.649 20 30 FFEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)no1 ZINC000450467795 513209362 /nfs/dbraw/zinc/20/93/62/513209362.db2.gz LYZQZJHJQYVNPV-HNNXBMFYSA-N 1 2 370.413 2.649 20 30 FFEDLO Cc1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)nn1-c1cccc(C#N)c1 ZINC000434022311 513217846 /nfs/dbraw/zinc/21/78/46/513217846.db2.gz OOOLAIHSHYCNIR-LJQANCHMSA-N 1 2 373.416 2.741 20 30 FFEDLO CCOc1nccc(C)c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000434036598 513219950 /nfs/dbraw/zinc/21/99/50/513219950.db2.gz MKZYDEHPKQNPEU-UHFFFAOYSA-N 1 2 364.449 2.618 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000429001275 513248698 /nfs/dbraw/zinc/24/86/98/513248698.db2.gz UQIBKZHYGOTKJW-CQSZACIVSA-N 1 2 366.868 2.752 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000429001275 513248699 /nfs/dbraw/zinc/24/86/99/513248699.db2.gz UQIBKZHYGOTKJW-CQSZACIVSA-N 1 2 366.868 2.752 20 30 FFEDLO C=CC[N@@H+](Cc1cc(Br)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000450564233 513253443 /nfs/dbraw/zinc/25/34/43/513253443.db2.gz UXFFUJIJYKLNDS-HNNXBMFYSA-N 1 2 358.301 2.933 20 30 FFEDLO C=CC[N@H+](Cc1cc(Br)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000450564233 513253448 /nfs/dbraw/zinc/25/34/48/513253448.db2.gz UXFFUJIJYKLNDS-HNNXBMFYSA-N 1 2 358.301 2.933 20 30 FFEDLO Cc1cc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1C#N ZINC000446816111 513343009 /nfs/dbraw/zinc/34/30/09/513343009.db2.gz CIQHDCSQMMKMCM-UHFFFAOYSA-N 1 2 356.382 2.992 20 30 FFEDLO CN(C)c1[nH+]cccc1CNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429720792 513449726 /nfs/dbraw/zinc/44/97/26/513449726.db2.gz QHRRXJYEHHDXAH-UHFFFAOYSA-N 1 2 374.448 2.855 20 30 FFEDLO Cc1cc(NC[C@@H](c2ccccc2Cl)N2CCOCC2)c(C#N)c[nH+]1 ZINC000425207130 513451884 /nfs/dbraw/zinc/45/18/84/513451884.db2.gz MKVFSUFHJSDJMO-IBGZPJMESA-N 1 2 356.857 2.822 20 30 FFEDLO CC1(C)CCc2cc(CN(CCC#N)CC[NH+]3CCOCC3)ccc2O1 ZINC000434988156 513483272 /nfs/dbraw/zinc/48/32/72/513483272.db2.gz YCTYELDIQYWATB-UHFFFAOYSA-N 1 2 357.498 2.838 20 30 FFEDLO C=CC[C@H](C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1ccccc1 ZINC000447677724 513540506 /nfs/dbraw/zinc/54/05/06/513540506.db2.gz HIZIZQFDYXDIJR-FQEVSTJZSA-N 1 2 363.461 2.828 20 30 FFEDLO C=CC[C@H](C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1ccccc1 ZINC000447677724 513540515 /nfs/dbraw/zinc/54/05/15/513540515.db2.gz HIZIZQFDYXDIJR-FQEVSTJZSA-N 1 2 363.461 2.828 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416312084 513705645 /nfs/dbraw/zinc/70/56/45/513705645.db2.gz PZOQRGHVTHVJFD-OLZOCXBDSA-N 1 2 357.479 2.609 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416312084 513705646 /nfs/dbraw/zinc/70/56/46/513705646.db2.gz PZOQRGHVTHVJFD-OLZOCXBDSA-N 1 2 357.479 2.609 20 30 FFEDLO N#CCc1ccc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c(Cl)c1 ZINC000451387163 513715614 /nfs/dbraw/zinc/71/56/14/513715614.db2.gz YRTHTYWDHAMVDL-ZDUSSCGKSA-N 1 2 350.831 2.655 20 30 FFEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@](O)(C(F)F)C2)ccc1Cl ZINC000451423759 513742562 /nfs/dbraw/zinc/74/25/62/513742562.db2.gz FTGHRIHKJJGXNG-KRWDZBQOSA-N 1 2 371.815 2.597 20 30 FFEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@](O)(C(F)F)C2)ccc1Cl ZINC000451423759 513742569 /nfs/dbraw/zinc/74/25/69/513742569.db2.gz FTGHRIHKJJGXNG-KRWDZBQOSA-N 1 2 371.815 2.597 20 30 FFEDLO CO[C@@](C)([C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000413684076 513763424 /nfs/dbraw/zinc/76/34/24/513763424.db2.gz HNRJMSPVGYPIAP-IERDGZPVSA-N 1 2 370.497 2.589 20 30 FFEDLO C=CCN1C(=O)N(Cc2ccc[nH+]c2N(C)C)C(=O)[C@H]1Cc1ccccc1 ZINC000430868299 513768750 /nfs/dbraw/zinc/76/87/50/513768750.db2.gz NEKIYJUMIHIBCC-GOSISDBHSA-N 1 2 364.449 2.709 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2COc2cccnc2C)c(C#N)c1C ZINC000419386649 513795630 /nfs/dbraw/zinc/79/56/30/513795630.db2.gz BUJCHROZFYJLQC-MRXNPFEDSA-N 1 2 368.437 2.953 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2COc2cccnc2C)c(C#N)c1C ZINC000419386649 513795633 /nfs/dbraw/zinc/79/56/33/513795633.db2.gz BUJCHROZFYJLQC-MRXNPFEDSA-N 1 2 368.437 2.953 20 30 FFEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)CCCCC1 ZINC000448709180 513858801 /nfs/dbraw/zinc/85/88/01/513858801.db2.gz OOHSCLMAPMGURR-UHFFFAOYSA-N 1 2 369.509 2.956 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000414097532 513973561 /nfs/dbraw/zinc/97/35/61/513973561.db2.gz NMEVWTJEUHVTCU-ZDUSSCGKSA-N 1 2 363.512 2.640 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000414097532 513973568 /nfs/dbraw/zinc/97/35/68/513973568.db2.gz NMEVWTJEUHVTCU-ZDUSSCGKSA-N 1 2 363.512 2.640 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc2cc(Br)cnc21 ZINC000414126368 513981042 /nfs/dbraw/zinc/98/10/42/513981042.db2.gz OKZSIJBHAPFFQW-AWEZNQCLSA-N 1 2 364.243 2.582 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc2cc(Br)cnc21 ZINC000414126368 513981047 /nfs/dbraw/zinc/98/10/47/513981047.db2.gz OKZSIJBHAPFFQW-AWEZNQCLSA-N 1 2 364.243 2.582 20 30 FFEDLO NC(=O)c1ccc(N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)cc1 ZINC000427017646 514092801 /nfs/dbraw/zinc/09/28/01/514092801.db2.gz WRXLXKCROJULLM-UHFFFAOYSA-N 1 2 353.853 2.613 20 30 FFEDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC1 ZINC000451972947 514104259 /nfs/dbraw/zinc/10/42/59/514104259.db2.gz PRNOQMITLLRWQV-CYBMUJFWSA-N 1 2 355.891 2.511 20 30 FFEDLO N#CCCC[C@@H](NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000432229247 514132067 /nfs/dbraw/zinc/13/20/67/514132067.db2.gz PCXTVWQBDROPRX-RBUKOAKNSA-N 1 2 356.470 2.584 20 30 FFEDLO N#CCCC[C@@H](NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000432229247 514132070 /nfs/dbraw/zinc/13/20/70/514132070.db2.gz PCXTVWQBDROPRX-RBUKOAKNSA-N 1 2 356.470 2.584 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@H](O)C[C@H](C)C2)c1C#N ZINC000452065562 514171552 /nfs/dbraw/zinc/17/15/52/514171552.db2.gz IEPFXEVYKUTMRZ-SUMWQHHRSA-N 1 2 358.486 2.733 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@H](O)C[C@H](C)C2)c1C#N ZINC000452065562 514171556 /nfs/dbraw/zinc/17/15/56/514171556.db2.gz IEPFXEVYKUTMRZ-SUMWQHHRSA-N 1 2 358.486 2.733 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000432403634 514185191 /nfs/dbraw/zinc/18/51/91/514185191.db2.gz SFKGWVSGZWWBPA-UHFFFAOYSA-N 1 2 364.449 2.709 20 30 FFEDLO C=CCC[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C(=O)OCC ZINC000449656893 514285656 /nfs/dbraw/zinc/28/56/56/514285656.db2.gz MUWJCSLSOJEHOH-GOSISDBHSA-N 1 2 352.438 2.946 20 30 FFEDLO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000444798049 514337444 /nfs/dbraw/zinc/33/74/44/514337444.db2.gz QHJXQNVLFHKSMI-AWEZNQCLSA-N 1 2 371.300 2.720 20 30 FFEDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000444798049 514337450 /nfs/dbraw/zinc/33/74/50/514337450.db2.gz QHJXQNVLFHKSMI-AWEZNQCLSA-N 1 2 371.300 2.720 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2ccc(C#N)s2)CC1 ZINC000420886734 514354074 /nfs/dbraw/zinc/35/40/74/514354074.db2.gz KNSNGTQAQFRIKF-AWEZNQCLSA-N 1 2 355.467 2.603 20 30 FFEDLO N#CCC1(O)C[NH+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000424129870 514392253 /nfs/dbraw/zinc/39/22/53/514392253.db2.gz DOSZHGLIQUJNOI-UHFFFAOYSA-N 1 2 351.406 2.768 20 30 FFEDLO CCN1CC[NH+]([C@@H]2CCN(c3nc4c(cc3C#N)CCCC4(C)C)C2)CC1 ZINC000428133321 514406047 /nfs/dbraw/zinc/40/60/47/514406047.db2.gz XKDYTKWGIZXYGT-LJQANCHMSA-N 1 2 367.541 2.783 20 30 FFEDLO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)CC(C)(C)C#N ZINC000433310787 514454627 /nfs/dbraw/zinc/45/46/27/514454627.db2.gz JJAONCAKXLMIPN-XXWNAHEMSA-N 1 2 360.502 2.651 20 30 FFEDLO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)CC(C)(C)C#N ZINC000433310787 514454634 /nfs/dbraw/zinc/45/46/34/514454634.db2.gz JJAONCAKXLMIPN-XXWNAHEMSA-N 1 2 360.502 2.651 20 30 FFEDLO C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)CC(C)(C)C#N ZINC000433312194 514454829 /nfs/dbraw/zinc/45/48/29/514454829.db2.gz KVUMCEJRWCOGPD-QGZVFWFLSA-N 1 2 371.481 2.993 20 30 FFEDLO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)CC(C)(C)C#N ZINC000433312194 514454834 /nfs/dbraw/zinc/45/48/34/514454834.db2.gz KVUMCEJRWCOGPD-QGZVFWFLSA-N 1 2 371.481 2.993 20 30 FFEDLO Cn1c2ccc(C[NH+]3CCN([C@@H](C#N)c4ccccc4)CC3)cc2oc1=O ZINC000428451763 514477632 /nfs/dbraw/zinc/47/76/32/514477632.db2.gz FQKPDZNGZKLHON-IBGZPJMESA-N 1 2 362.433 2.514 20 30 FFEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1SCC[NH+]1CCOCC1 ZINC000439104054 514494171 /nfs/dbraw/zinc/49/41/71/514494171.db2.gz YHDIECXFRZVJQA-UHFFFAOYSA-N 1 2 353.369 2.948 20 30 FFEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000439108238 514494641 /nfs/dbraw/zinc/49/46/41/514494641.db2.gz RTCCYGBLJLGCPU-QVKFZJNVSA-N 1 2 365.477 2.934 20 30 FFEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000439108238 514494647 /nfs/dbraw/zinc/49/46/47/514494647.db2.gz RTCCYGBLJLGCPU-QVKFZJNVSA-N 1 2 365.477 2.934 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3cncn3Cc3ccccc3)CC2)n1 ZINC000445793974 514523469 /nfs/dbraw/zinc/52/34/69/514523469.db2.gz MPXGTWILJVSGKO-UHFFFAOYSA-N 1 2 358.449 2.520 20 30 FFEDLO N#Cc1cccc(N2CCN(Cc3c[nH+]cn3Cc3ccccc3)CC2)n1 ZINC000445793974 514523472 /nfs/dbraw/zinc/52/34/72/514523472.db2.gz MPXGTWILJVSGKO-UHFFFAOYSA-N 1 2 358.449 2.520 20 30 FFEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000465942848 514527812 /nfs/dbraw/zinc/52/78/12/514527812.db2.gz NNMCHYWKFYGJEF-OALUTQOASA-N 1 2 370.497 2.579 20 30 FFEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000465942848 514527822 /nfs/dbraw/zinc/52/78/22/514527822.db2.gz NNMCHYWKFYGJEF-OALUTQOASA-N 1 2 370.497 2.579 20 30 FFEDLO Cn1c(C#N)ccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450232578 514555629 /nfs/dbraw/zinc/55/56/29/514555629.db2.gz MHWQYUPRWKAVHH-RDJZCZTQSA-N 1 2 360.820 2.864 20 30 FFEDLO Cn1c(C#N)ccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450232578 514555639 /nfs/dbraw/zinc/55/56/39/514555639.db2.gz MHWQYUPRWKAVHH-RDJZCZTQSA-N 1 2 360.820 2.864 20 30 FFEDLO CC(C)(C)CN1CCC[C@@H]([NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1=O ZINC000461358415 514580866 /nfs/dbraw/zinc/58/08/66/514580866.db2.gz FVHUUABDMJFNQY-WOJBJXKFSA-N 1 2 368.525 2.906 20 30 FFEDLO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000453273121 514584640 /nfs/dbraw/zinc/58/46/40/514584640.db2.gz IUAVMDPNQYEIDJ-CANCMXDXSA-N 1 2 366.458 2.535 20 30 FFEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NCc1c[nH+]c2ccc(Cl)cn12 ZINC000461424965 514611903 /nfs/dbraw/zinc/61/19/03/514611903.db2.gz MMGSOJGWYXLXJC-UHFFFAOYSA-N 1 2 363.812 2.783 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCN(c4cccs4)CC3)o2)c1 ZINC000466483716 514659384 /nfs/dbraw/zinc/65/93/84/514659384.db2.gz XTDQOKSJWUPHLY-UHFFFAOYSA-N 1 2 351.435 2.992 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NCC2([NH+](C)C)CCCCCC2)cc1C#N ZINC000497901555 514675131 /nfs/dbraw/zinc/67/51/31/514675131.db2.gz VALGZSIIBFXYDW-UHFFFAOYSA-N 1 2 362.499 2.765 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)NC(=O)NC3CCCCC3)CC2)cc1 ZINC000502505663 514676516 /nfs/dbraw/zinc/67/65/16/514676516.db2.gz GSWQRZMXPNOEMW-UHFFFAOYSA-N 1 2 366.465 2.806 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NC(=O)NC3CCCCC3)CC2)cc1 ZINC000502505663 514676524 /nfs/dbraw/zinc/67/65/24/514676524.db2.gz GSWQRZMXPNOEMW-UHFFFAOYSA-N 1 2 366.465 2.806 20 30 FFEDLO C[C@H](NC(=O)Nc1ccc(CC#N)cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000455708394 514695922 /nfs/dbraw/zinc/69/59/22/514695922.db2.gz UDOBJSHGSUHNIK-STQMWFEESA-N 1 2 350.850 2.637 20 30 FFEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000470995512 514709882 /nfs/dbraw/zinc/70/98/82/514709882.db2.gz PHVMCZLEBROEES-KXBFYZLASA-N 1 2 374.916 2.970 20 30 FFEDLO CC(C)N1CC[C@@H]([NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1=O ZINC000471013867 514716898 /nfs/dbraw/zinc/71/68/98/514716898.db2.gz YFWRWPMOCNCRAL-MSOLQXFVSA-N 1 2 360.889 2.532 20 30 FFEDLO CN(CC1CCCCC1)C(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000471149040 514773022 /nfs/dbraw/zinc/77/30/22/514773022.db2.gz XKISCICUNUTDMM-OAQYLSRUSA-N 1 2 368.525 2.908 20 30 FFEDLO N#CCc1cccc(NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)c1 ZINC000455923410 514836212 /nfs/dbraw/zinc/83/62/12/514836212.db2.gz SWVJDMGAEWACQQ-UHFFFAOYSA-N 1 2 355.467 2.949 20 30 FFEDLO N#CCc1cccc(NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)c1 ZINC000455923410 514836225 /nfs/dbraw/zinc/83/62/25/514836225.db2.gz SWVJDMGAEWACQQ-UHFFFAOYSA-N 1 2 355.467 2.949 20 30 FFEDLO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000508834316 514911788 /nfs/dbraw/zinc/91/17/88/514911788.db2.gz SUJHERUOLONKEJ-UHFFFAOYSA-N 1 2 371.448 2.724 20 30 FFEDLO Cn1cc(C[NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)cc1C#N ZINC000480393339 514941201 /nfs/dbraw/zinc/94/12/01/514941201.db2.gz ZEFFDPJEGHKHSS-UHFFFAOYSA-N 1 2 365.462 2.573 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503194169 514952432 /nfs/dbraw/zinc/95/24/32/514952432.db2.gz MAOSELXCIINSAW-LZJOCLMNSA-N 1 2 372.513 2.581 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503194169 514952441 /nfs/dbraw/zinc/95/24/41/514952441.db2.gz MAOSELXCIINSAW-LZJOCLMNSA-N 1 2 372.513 2.581 20 30 FFEDLO C=C(C)CCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000458619791 514959726 /nfs/dbraw/zinc/95/97/26/514959726.db2.gz SOQMFXAJQQQTED-IAGOWNOFSA-N 1 2 351.878 2.977 20 30 FFEDLO C=C(C)CCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000458619791 514959737 /nfs/dbraw/zinc/95/97/37/514959737.db2.gz SOQMFXAJQQQTED-IAGOWNOFSA-N 1 2 351.878 2.977 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(C#N)cn1C)c1ccc(Cl)cc1 ZINC000471661106 514974194 /nfs/dbraw/zinc/97/41/94/514974194.db2.gz ZZPOTANTGJSKTP-INIZCTEOSA-N 1 2 353.813 2.803 20 30 FFEDLO CCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490075726 515091917 /nfs/dbraw/zinc/09/19/17/515091917.db2.gz ZAECHAROWSVQJY-HRAATJIYSA-N 1 2 370.497 2.843 20 30 FFEDLO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490075726 515091926 /nfs/dbraw/zinc/09/19/26/515091926.db2.gz ZAECHAROWSVQJY-HRAATJIYSA-N 1 2 370.497 2.843 20 30 FFEDLO CCc1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C#N)c1CC ZINC000467748156 515101574 /nfs/dbraw/zinc/10/15/74/515101574.db2.gz UKYYYRRFTOOSKH-UHFFFAOYSA-N 1 2 360.465 2.667 20 30 FFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000456352247 515122207 /nfs/dbraw/zinc/12/22/07/515122207.db2.gz LKLREVSPYLNUAG-RDJZCZTQSA-N 1 2 366.469 2.572 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCCOc1ccc(C#N)cc1OC ZINC000456367783 515132930 /nfs/dbraw/zinc/13/29/30/515132930.db2.gz CDOWDBSAWVPPSP-CQSZACIVSA-N 1 2 356.426 2.820 20 30 FFEDLO CCCN1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1=O ZINC000472183660 515161494 /nfs/dbraw/zinc/16/14/94/515161494.db2.gz UQCZCIHZDIABBI-UHFFFAOYSA-N 1 2 354.372 2.881 20 30 FFEDLO CCCN1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1=O ZINC000472183660 515161500 /nfs/dbraw/zinc/16/15/00/515161500.db2.gz UQCZCIHZDIABBI-UHFFFAOYSA-N 1 2 354.372 2.881 20 30 FFEDLO C=CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000486597318 515554493 /nfs/dbraw/zinc/55/44/93/515554493.db2.gz AWRXVUKXNLSPGV-IAGOWNOFSA-N 1 2 358.454 2.984 20 30 FFEDLO C=CCCS(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000486597318 515554501 /nfs/dbraw/zinc/55/45/01/515554501.db2.gz AWRXVUKXNLSPGV-IAGOWNOFSA-N 1 2 358.454 2.984 20 30 FFEDLO CC(C)(OCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000469053466 515649278 /nfs/dbraw/zinc/64/92/78/515649278.db2.gz QTDVUNUWEPXLHP-UHFFFAOYSA-N 1 2 369.387 2.560 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459562717 515650139 /nfs/dbraw/zinc/65/01/39/515650139.db2.gz OWDBYXYJTNXSJA-OXQOHEQNSA-N 1 2 358.438 2.826 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459562717 515650143 /nfs/dbraw/zinc/65/01/43/515650143.db2.gz OWDBYXYJTNXSJA-OXQOHEQNSA-N 1 2 358.438 2.826 20 30 FFEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000505742730 515653342 /nfs/dbraw/zinc/65/33/42/515653342.db2.gz WGJRWHVJJZBNGL-HXUWFJFHSA-N 1 2 372.469 2.560 20 30 FFEDLO C=C(C)Cn1c(SCC(=O)NCc2[nH]c[nH+]c2C)nnc1-c1ccco1 ZINC000482516877 515704051 /nfs/dbraw/zinc/70/40/51/515704051.db2.gz XNOFRODICMWYAM-UHFFFAOYSA-N 1 2 372.454 2.554 20 30 FFEDLO C=CCOc1cccc(C[NH+]2CCN(CC(=O)N3CCCCCC3)CC2)c1 ZINC000506137519 515794499 /nfs/dbraw/zinc/79/44/99/515794499.db2.gz OXYGVIUHQAHLCE-UHFFFAOYSA-N 1 2 371.525 2.772 20 30 FFEDLO C=CCOc1cccc(CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)c1 ZINC000506137519 515794510 /nfs/dbraw/zinc/79/45/10/515794510.db2.gz OXYGVIUHQAHLCE-UHFFFAOYSA-N 1 2 371.525 2.772 20 30 FFEDLO CCn1nccc1C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCO ZINC000482907348 515844996 /nfs/dbraw/zinc/84/49/96/515844996.db2.gz ZCHKQNISIQIYIZ-UHFFFAOYSA-N 1 2 351.372 2.768 20 30 FFEDLO CCn1nccc1C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCO ZINC000482907348 515845001 /nfs/dbraw/zinc/84/50/01/515845001.db2.gz ZCHKQNISIQIYIZ-UHFFFAOYSA-N 1 2 351.372 2.768 20 30 FFEDLO C=CCCCCNC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000474100214 515881988 /nfs/dbraw/zinc/88/19/88/515881988.db2.gz WYHBKUWHTSESFY-UHFFFAOYSA-N 1 2 361.486 2.887 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCN(c3nc(C)ns3)CC2)c1C ZINC000464764035 515950081 /nfs/dbraw/zinc/95/00/81/515950081.db2.gz FEBZFDPLUWAFDQ-UHFFFAOYSA-N 1 2 373.526 2.846 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCN(c3nc(C)ns3)CC2)c1C ZINC000464764035 515950092 /nfs/dbraw/zinc/95/00/92/515950092.db2.gz FEBZFDPLUWAFDQ-UHFFFAOYSA-N 1 2 373.526 2.846 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000511687274 516001940 /nfs/dbraw/zinc/00/19/40/516001940.db2.gz CYDSWWITEISNQE-UHFFFAOYSA-N 1 2 374.379 2.602 20 30 FFEDLO CC#CCCNC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000483287969 516017939 /nfs/dbraw/zinc/01/79/39/516017939.db2.gz YVZRFCJLOYXART-RDJZCZTQSA-N 1 2 353.388 2.952 20 30 FFEDLO CC#CCCNC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000483287969 516017943 /nfs/dbraw/zinc/01/79/43/516017943.db2.gz YVZRFCJLOYXART-RDJZCZTQSA-N 1 2 353.388 2.952 20 30 FFEDLO CC(C)(C#N)CNC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000479322957 516148411 /nfs/dbraw/zinc/14/84/11/516148411.db2.gz XWQSJKSWKYLLLT-UHFFFAOYSA-N 1 2 363.465 2.993 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000507275601 516151542 /nfs/dbraw/zinc/15/15/42/516151542.db2.gz CRASTPBPSRXOMI-UHFFFAOYSA-N 1 2 374.488 2.871 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000507279025 516152933 /nfs/dbraw/zinc/15/29/33/516152933.db2.gz AEZWCWZITDROQJ-RXVVDRJESA-N 1 2 366.509 2.861 20 30 FFEDLO C=C(C)COCCNC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000474805400 516199740 /nfs/dbraw/zinc/19/97/40/516199740.db2.gz SZQMROZMMVYCAQ-UHFFFAOYSA-N 1 2 351.878 2.760 20 30 FFEDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528368461 516382884 /nfs/dbraw/zinc/38/28/84/516382884.db2.gz MIVWTYMJOWHLNE-UTKZUKDTSA-N 1 2 374.440 2.748 20 30 FFEDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528368461 516382891 /nfs/dbraw/zinc/38/28/91/516382891.db2.gz MIVWTYMJOWHLNE-UTKZUKDTSA-N 1 2 374.440 2.748 20 30 FFEDLO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528368460 516384158 /nfs/dbraw/zinc/38/41/58/516384158.db2.gz MIVWTYMJOWHLNE-LAUBAEHRSA-N 1 2 374.440 2.748 20 30 FFEDLO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528368460 516384166 /nfs/dbraw/zinc/38/41/66/516384166.db2.gz MIVWTYMJOWHLNE-LAUBAEHRSA-N 1 2 374.440 2.748 20 30 FFEDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000528369900 516384963 /nfs/dbraw/zinc/38/49/63/516384963.db2.gz WDLBTNHDCGSZLI-PBEJRMEISA-N 1 2 352.434 2.760 20 30 FFEDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000528369900 516384972 /nfs/dbraw/zinc/38/49/72/516384972.db2.gz WDLBTNHDCGSZLI-PBEJRMEISA-N 1 2 352.434 2.760 20 30 FFEDLO Cc1cc([C@@H]2C[N@H+](C[C@H](O)COc3ccccc3C#N)CCO2)ccc1F ZINC000528435248 516433891 /nfs/dbraw/zinc/43/38/91/516433891.db2.gz ZQIGSYWWDPKDQN-RXVVDRJESA-N 1 2 370.424 2.819 20 30 FFEDLO Cc1cc([C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3C#N)CCO2)ccc1F ZINC000528435248 516433896 /nfs/dbraw/zinc/43/38/96/516433896.db2.gz ZQIGSYWWDPKDQN-RXVVDRJESA-N 1 2 370.424 2.819 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000528439026 516438660 /nfs/dbraw/zinc/43/86/60/516438660.db2.gz LDQMBLCLUIGNAK-IBGZPJMESA-N 1 2 374.444 2.542 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000528439026 516438667 /nfs/dbraw/zinc/43/86/67/516438667.db2.gz LDQMBLCLUIGNAK-IBGZPJMESA-N 1 2 374.444 2.542 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000528522139 516500786 /nfs/dbraw/zinc/50/07/86/516500786.db2.gz WGSFURXMKOEQNF-OALUTQOASA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000528522139 516500795 /nfs/dbraw/zinc/50/07/95/516500795.db2.gz WGSFURXMKOEQNF-OALUTQOASA-N 1 2 356.397 2.511 20 30 FFEDLO CC1(C)C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@H]1c1cccnc1 ZINC000528559738 516530732 /nfs/dbraw/zinc/53/07/32/516530732.db2.gz AWGVJQLYCPXCFP-IBGZPJMESA-N 1 2 359.429 2.764 20 30 FFEDLO CC1(C)C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@H]1c1cccnc1 ZINC000528559738 516530740 /nfs/dbraw/zinc/53/07/40/516530740.db2.gz AWGVJQLYCPXCFP-IBGZPJMESA-N 1 2 359.429 2.764 20 30 FFEDLO N#Cc1cccc(NC(=O)C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1 ZINC000558139727 516614426 /nfs/dbraw/zinc/61/44/26/516614426.db2.gz OHECRBLLZRGDGY-FUHWJXTLSA-N 1 2 367.474 2.997 20 30 FFEDLO N#Cc1cccc(NC(=O)C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1 ZINC000558139727 516614436 /nfs/dbraw/zinc/61/44/36/516614436.db2.gz OHECRBLLZRGDGY-FUHWJXTLSA-N 1 2 367.474 2.997 20 30 FFEDLO N#CCCCS(=O)(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000518453669 516666351 /nfs/dbraw/zinc/66/63/51/516666351.db2.gz NJPVORSILGZYJE-OAHLLOKOSA-N 1 2 373.881 2.839 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(O)(C(F)F)CC1 ZINC000547972823 516667252 /nfs/dbraw/zinc/66/72/52/516667252.db2.gz PJCPFDYIFPENET-JTQLQIEISA-N 1 2 369.437 2.527 20 30 FFEDLO CCO[C@@H](C)c1noc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)n1 ZINC000528779660 516689441 /nfs/dbraw/zinc/68/94/41/516689441.db2.gz WIUIUCNPNDBHCA-AWEZNQCLSA-N 1 2 356.426 2.834 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000548124165 516778941 /nfs/dbraw/zinc/77/89/41/516778941.db2.gz CUKVMHXQKGTGQG-MRXNPFEDSA-N 1 2 361.854 2.677 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000548124165 516778951 /nfs/dbraw/zinc/77/89/51/516778951.db2.gz CUKVMHXQKGTGQG-MRXNPFEDSA-N 1 2 361.854 2.677 20 30 FFEDLO CN(C)c1ncc(C[N@H+](C)Cc2ccc(Br)cc2C#N)cn1 ZINC000561855936 516801672 /nfs/dbraw/zinc/80/16/72/516801672.db2.gz WSEMIOFFJAERQP-UHFFFAOYSA-N 1 2 360.259 2.809 20 30 FFEDLO CN(C)c1ncc(C[N@@H+](C)Cc2ccc(Br)cc2C#N)cn1 ZINC000561855936 516801679 /nfs/dbraw/zinc/80/16/79/516801679.db2.gz WSEMIOFFJAERQP-UHFFFAOYSA-N 1 2 360.259 2.809 20 30 FFEDLO CCc1cccc(OCC[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000513978588 516819313 /nfs/dbraw/zinc/81/93/13/516819313.db2.gz PAHUDIKEDNSRLB-HTAPYJJXSA-N 1 2 361.445 2.973 20 30 FFEDLO CCc1cccc(OCC[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000513978588 516819322 /nfs/dbraw/zinc/81/93/22/516819322.db2.gz PAHUDIKEDNSRLB-HTAPYJJXSA-N 1 2 361.445 2.973 20 30 FFEDLO Cc1cccn2cc(CC(=O)N3CCC(C#N)(c4ccccn4)CC3)[nH+]c12 ZINC000558587951 516823574 /nfs/dbraw/zinc/82/35/74/516823574.db2.gz YVPKWKUSHLTKMR-UHFFFAOYSA-N 1 2 359.433 2.664 20 30 FFEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548281618 516870618 /nfs/dbraw/zinc/87/06/18/516870618.db2.gz KUHFMWAVGAXBHU-OAHLLOKOSA-N 1 2 362.355 2.568 20 30 FFEDLO COc1cc(N2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)ccc1F ZINC000555340042 516889771 /nfs/dbraw/zinc/88/97/71/516889771.db2.gz PACASYPQIUXSFU-UHFFFAOYSA-N 1 2 365.412 2.676 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541165392 516908898 /nfs/dbraw/zinc/90/88/98/516908898.db2.gz ZOAGSRGEDKDROQ-PBHICJAKSA-N 1 2 362.355 2.869 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541165392 516908911 /nfs/dbraw/zinc/90/89/11/516908911.db2.gz ZOAGSRGEDKDROQ-PBHICJAKSA-N 1 2 362.355 2.869 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000558735205 516919331 /nfs/dbraw/zinc/91/93/31/516919331.db2.gz SKSVIDTWUJOVSC-UONOGXRCSA-N 1 2 359.437 2.733 20 30 FFEDLO CC(C)(CCC#N)CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000562214976 516961005 /nfs/dbraw/zinc/96/10/05/516961005.db2.gz STQDTCFJGHBDRN-UHFFFAOYSA-N 1 2 358.486 2.648 20 30 FFEDLO C(#CC[N@@H+]1CCCC[C@@H]1c1cc[nH]n1)CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000551980744 517005518 /nfs/dbraw/zinc/00/55/18/517005518.db2.gz SKUWULUPVWVNLR-WOJBJXKFSA-N 1 2 352.486 2.890 20 30 FFEDLO C(#CC[N@H+]1CCCC[C@@H]1c1cc[nH]n1)CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000551980744 517005521 /nfs/dbraw/zinc/00/55/21/517005521.db2.gz SKUWULUPVWVNLR-WOJBJXKFSA-N 1 2 352.486 2.890 20 30 FFEDLO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000559007035 517038950 /nfs/dbraw/zinc/03/89/50/517038950.db2.gz FKBSVRFMZMGRPT-UHFFFAOYSA-N 1 2 363.469 2.567 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN([C@H]3CCc4ccccc4NC3=O)CC2)cc1 ZINC000519797342 517185771 /nfs/dbraw/zinc/18/57/71/517185771.db2.gz CCGOHUYOOPVLAK-NRFANRHFSA-N 1 2 360.461 2.629 20 30 FFEDLO N#Cc1ccc(CN2CC[NH+]([C@H]3CCc4ccccc4NC3=O)CC2)cc1 ZINC000519797342 517185781 /nfs/dbraw/zinc/18/57/81/517185781.db2.gz CCGOHUYOOPVLAK-NRFANRHFSA-N 1 2 360.461 2.629 20 30 FFEDLO C=CCN1CC[C@H](Sc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)C1=O ZINC000537468140 517197379 /nfs/dbraw/zinc/19/73/79/517197379.db2.gz VHMWMHVJNVLPNB-HNNXBMFYSA-N 1 2 369.425 2.834 20 30 FFEDLO Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000548799126 517221960 /nfs/dbraw/zinc/22/19/60/517221960.db2.gz CRWGYMKDPDUUEV-GOSISDBHSA-N 1 2 362.477 2.952 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000562604882 517228864 /nfs/dbraw/zinc/22/88/64/517228864.db2.gz UHMCPDCBGWNFKH-WFASDCNBSA-N 1 2 355.398 2.607 20 30 FFEDLO Cc1cc(NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c(C)c[nH+]1 ZINC000515202692 517251369 /nfs/dbraw/zinc/25/13/69/517251369.db2.gz ZVXHVJNCSYJOSG-UHFFFAOYSA-N 1 2 369.856 3.000 20 30 FFEDLO Cc1cccc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)c1C#N ZINC000533096181 517291979 /nfs/dbraw/zinc/29/19/79/517291979.db2.gz KFFQMCCAVGTAQF-SFHVURJKSA-N 1 2 366.446 2.668 20 30 FFEDLO C=CCn1c(C)nnc1N1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000548951496 517324254 /nfs/dbraw/zinc/32/42/54/517324254.db2.gz XBJIJPAZDUKUNI-UHFFFAOYSA-N 1 2 364.453 2.750 20 30 FFEDLO Cc1onc(CC(=O)N2CC[NH+](Cc3ccc(Cl)cc3C)CC2)c1C#N ZINC000552687862 517350975 /nfs/dbraw/zinc/35/09/75/517350975.db2.gz HAKBFHAZKYLXII-UHFFFAOYSA-N 1 2 372.856 2.703 20 30 FFEDLO CCC(CC)[C@H](C(=O)Nc1ccc(COC)c(C#N)c1)[NH+]1CCOCC1 ZINC000529816025 517361954 /nfs/dbraw/zinc/36/19/54/517361954.db2.gz KGALLUUHAXOTFR-LJQANCHMSA-N 1 2 359.470 2.780 20 30 FFEDLO Cc1cc(NCc2ccccc2OCC[NH+]2CCOCC2)cc(C#N)n1 ZINC000553009795 517476654 /nfs/dbraw/zinc/47/66/54/517476654.db2.gz XWCWRDMIINZKOC-UHFFFAOYSA-N 1 2 352.438 2.585 20 30 FFEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](Cc2ccccc2F)C(C)C)CC1 ZINC000538138528 517478445 /nfs/dbraw/zinc/47/84/45/517478445.db2.gz BMVGPIIHGPNPLL-FQEVSTJZSA-N 1 2 374.504 2.728 20 30 FFEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](Cc2ccccc2F)C(C)C)CC1 ZINC000538138528 517478456 /nfs/dbraw/zinc/47/84/56/517478456.db2.gz BMVGPIIHGPNPLL-FQEVSTJZSA-N 1 2 374.504 2.728 20 30 FFEDLO COc1cc[nH+]cc1CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000556558564 517493784 /nfs/dbraw/zinc/49/37/84/517493784.db2.gz DSXQVNNGIXTKEV-UHFFFAOYSA-N 1 2 372.450 2.576 20 30 FFEDLO C=CCOc1cccnc1C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000538192129 517499899 /nfs/dbraw/zinc/49/98/99/517499899.db2.gz UMAYBQRBAMCPSD-UHFFFAOYSA-N 1 2 354.332 2.677 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(OC(F)(F)F)cc1 ZINC000533548559 517520224 /nfs/dbraw/zinc/52/02/24/517520224.db2.gz WMHITMOCCQNJKF-DOMZBBRYSA-N 1 2 364.327 2.725 20 30 FFEDLO CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1[nH]cc[nH+]1 ZINC000549353780 517524401 /nfs/dbraw/zinc/52/44/01/517524401.db2.gz OZWCWSDZAFCYLT-INIZCTEOSA-N 1 2 374.466 2.614 20 30 FFEDLO N#Cc1cccc(-c2csc(NC(=O)c3ccc(-n4cc[nH+]c4)nn3)n2)c1 ZINC000533570993 517530270 /nfs/dbraw/zinc/53/02/70/517530270.db2.gz IIBLUUAKWOCMLD-UHFFFAOYSA-N 1 2 373.401 2.910 20 30 FFEDLO Cc1cc(Br)cn2cc(CNC(=O)c3c[nH]c(C#N)c3)[nH+]c12 ZINC000546112790 517551676 /nfs/dbraw/zinc/55/16/76/517551676.db2.gz UTDCXQMJHBVHGD-UHFFFAOYSA-N 1 2 358.199 2.535 20 30 FFEDLO Cc1cc(C#N)cnc1C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000556697900 517580500 /nfs/dbraw/zinc/58/05/00/517580500.db2.gz ARBZRIHEANCGQW-UHFFFAOYSA-N 1 2 371.444 2.899 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCC(Oc3ccccn3)CC2)c1C#N ZINC000533762814 517603101 /nfs/dbraw/zinc/60/31/01/517603101.db2.gz ZYGBMAVTBAIKEO-UHFFFAOYSA-N 1 2 351.406 2.783 20 30 FFEDLO COc1cc2c(cc1C[NH+]1CCN(c3cccc(C#N)n3)CC1)O[C@H](C)C2 ZINC000546258718 517618047 /nfs/dbraw/zinc/61/80/47/517618047.db2.gz FJMFLWGOGYFNGA-OAHLLOKOSA-N 1 2 364.449 2.607 20 30 FFEDLO COC(=O)c1cccc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c1C#N ZINC000542540667 517619325 /nfs/dbraw/zinc/61/93/25/517619325.db2.gz JAEIJMZYYBYLPU-IQGLISFBSA-N 1 2 356.447 2.554 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2cccc(Br)c2C1 ZINC000530335553 517712210 /nfs/dbraw/zinc/71/22/10/517712210.db2.gz KBNVWMQZOXVOLD-LBPRGKRZSA-N 1 2 362.271 2.758 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2cccc(Br)c2C1 ZINC000530335553 517712219 /nfs/dbraw/zinc/71/22/19/517712219.db2.gz KBNVWMQZOXVOLD-LBPRGKRZSA-N 1 2 362.271 2.758 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000553523038 517759431 /nfs/dbraw/zinc/75/94/31/517759431.db2.gz CEEGJJHSIVJNDO-YJBOKZPZSA-N 1 2 367.428 2.525 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1cccc(C#N)c1 ZINC000521714414 517838783 /nfs/dbraw/zinc/83/87/83/517838783.db2.gz FWWLUNMLDJFCQM-UXHICEINSA-N 1 2 353.466 2.716 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1cccc(C#N)c1 ZINC000521714414 517838793 /nfs/dbraw/zinc/83/87/93/517838793.db2.gz FWWLUNMLDJFCQM-UXHICEINSA-N 1 2 353.466 2.716 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCOc1ccccc1Br ZINC000516774122 517839573 /nfs/dbraw/zinc/83/95/73/517839573.db2.gz HQVRZGZTXOUNHZ-MRXNPFEDSA-N 1 2 368.275 2.568 20 30 FFEDLO COc1cc2c(cc1C[NH+]1CCN(c3ncccc3C#N)CC1)O[C@H](C)C2 ZINC000534333472 517857067 /nfs/dbraw/zinc/85/70/67/517857067.db2.gz NJKIVUSDWPXZHF-OAHLLOKOSA-N 1 2 364.449 2.607 20 30 FFEDLO C=C(C)[C@H](CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1)OCC ZINC000534401410 517880988 /nfs/dbraw/zinc/88/09/88/517880988.db2.gz KOSIOQQDMXSDOM-BQFCYCMXSA-N 1 2 361.486 2.683 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(C#N)s1 ZINC000530675551 517915690 /nfs/dbraw/zinc/91/56/90/517915690.db2.gz WSXYPSCZFQLULD-INIZCTEOSA-N 1 2 369.490 2.983 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000534559344 517941882 /nfs/dbraw/zinc/94/18/82/517941882.db2.gz HTAJZMPHKOCUOI-INIZCTEOSA-N 1 2 358.486 2.841 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000534559344 517941889 /nfs/dbraw/zinc/94/18/89/517941889.db2.gz HTAJZMPHKOCUOI-INIZCTEOSA-N 1 2 358.486 2.841 20 30 FFEDLO Cc1nsc(NCCC[NH+]2CCN(Cc3ccccc3)CC2)c1C#N ZINC000557518516 518050225 /nfs/dbraw/zinc/05/02/25/518050225.db2.gz AVTBCJHCWWHLEU-UHFFFAOYSA-N 1 2 355.511 2.943 20 30 FFEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)Cc2ccc(C#N)nc2)C[C@H](C)O1 ZINC000528035130 518057184 /nfs/dbraw/zinc/05/71/84/518057184.db2.gz CCLFXRUXHWGZCP-HOTGVXAUSA-N 1 2 364.449 2.744 20 30 FFEDLO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000554210576 518106094 /nfs/dbraw/zinc/10/60/94/518106094.db2.gz CRYKFJUXOXNQQI-ZDUSSCGKSA-N 1 2 350.260 2.669 20 30 FFEDLO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000554210576 518106098 /nfs/dbraw/zinc/10/60/98/518106098.db2.gz CRYKFJUXOXNQQI-ZDUSSCGKSA-N 1 2 350.260 2.669 20 30 FFEDLO COc1cc2c(cc1F)C[N@@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000539737296 518152361 /nfs/dbraw/zinc/15/23/61/518152361.db2.gz IQPMJEMMYWSNCH-LJQANCHMSA-N 1 2 365.408 2.870 20 30 FFEDLO COc1cc2c(cc1F)C[N@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000539737296 518152365 /nfs/dbraw/zinc/15/23/65/518152365.db2.gz IQPMJEMMYWSNCH-LJQANCHMSA-N 1 2 365.408 2.870 20 30 FFEDLO C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000578511740 518246140 /nfs/dbraw/zinc/24/61/40/518246140.db2.gz CWPPJTGMIOGZLB-MLGOLLRUSA-N 1 2 357.376 2.724 20 30 FFEDLO CCN(CCOC)c1cccc(CN2CCC[C@@]3(CCCCO3)[C@@H]2C#N)[nH+]1 ZINC000581457909 518294078 /nfs/dbraw/zinc/29/40/78/518294078.db2.gz RUDRYKQRWCSEQO-FPOVZHCZSA-N 1 2 372.513 2.982 20 30 FFEDLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1nc2c(s1)CCC2 ZINC000567086185 518343907 /nfs/dbraw/zinc/34/39/07/518343907.db2.gz ITTPHRFGYJYDCN-GFCCVEGCSA-N 1 2 361.492 2.628 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)C1CC1 ZINC000578800667 518378762 /nfs/dbraw/zinc/37/87/62/518378762.db2.gz UCFVQWLKHVCKSX-IBGZPJMESA-N 1 2 365.437 2.668 20 30 FFEDLO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1noc(-c2ccccc2)n1 ZINC000569969161 518380706 /nfs/dbraw/zinc/38/07/06/518380706.db2.gz TXFVSWTVKZTZEI-WMLDXEAASA-N 1 2 364.405 2.699 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@H]2C2CCC2)cc1 ZINC000573114793 518514234 /nfs/dbraw/zinc/51/42/34/518514234.db2.gz QAORDCQWDLRPIQ-FQEVSTJZSA-N 1 2 371.481 2.833 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@H]2C2CCC2)cc1 ZINC000573114793 518514237 /nfs/dbraw/zinc/51/42/37/518514237.db2.gz QAORDCQWDLRPIQ-FQEVSTJZSA-N 1 2 371.481 2.833 20 30 FFEDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cnc3c(C#N)cnn3c2)c(C)c1 ZINC000570280847 518530078 /nfs/dbraw/zinc/53/00/78/518530078.db2.gz LOQWBRCOQBASGQ-UHFFFAOYSA-N 1 2 362.437 2.597 20 30 FFEDLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cnc3c(C#N)cnn3c2)c(C)c1 ZINC000570280847 518530084 /nfs/dbraw/zinc/53/00/84/518530084.db2.gz LOQWBRCOQBASGQ-UHFFFAOYSA-N 1 2 362.437 2.597 20 30 FFEDLO COc1cc(C[N@@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)ccc1C#N ZINC000564652099 518546660 /nfs/dbraw/zinc/54/66/60/518546660.db2.gz UXYHURZADHBOQY-CALCHBBNSA-N 1 2 358.344 2.869 20 30 FFEDLO COc1cc(C[N@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)ccc1C#N ZINC000564652099 518546664 /nfs/dbraw/zinc/54/66/64/518546664.db2.gz UXYHURZADHBOQY-CALCHBBNSA-N 1 2 358.344 2.869 20 30 FFEDLO C[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)c2cc(F)ccc2C[NH2+]1 ZINC000564669029 518555778 /nfs/dbraw/zinc/55/57/78/518555778.db2.gz ZZBQQWKHMUDZAG-ZDUSSCGKSA-N 1 2 359.426 2.525 20 30 FFEDLO COc1cc(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000573263042 518582917 /nfs/dbraw/zinc/58/29/17/518582917.db2.gz NZFGQYMVKMTFAJ-PBHICJAKSA-N 1 2 353.426 2.556 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCC(CCC#N)CC1)CC2 ZINC000567590990 518602650 /nfs/dbraw/zinc/60/26/50/518602650.db2.gz IZGDIVIZDQXIQX-UHFFFAOYSA-N 1 2 371.481 2.604 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCC(CCC#N)CC1)CC2 ZINC000567590990 518602655 /nfs/dbraw/zinc/60/26/55/518602655.db2.gz IZGDIVIZDQXIQX-UHFFFAOYSA-N 1 2 371.481 2.604 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(OC(F)(F)F)cc1 ZINC000579320978 518623201 /nfs/dbraw/zinc/62/32/01/518623201.db2.gz FWOMNOKPKYUPQT-JSGCOSHPSA-N 1 2 364.327 2.725 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc1OC ZINC000582218007 518641157 /nfs/dbraw/zinc/64/11/57/518641157.db2.gz XEJPLOBTTCFNGM-UHFFFAOYSA-N 1 2 364.449 2.849 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000570727162 518751751 /nfs/dbraw/zinc/75/17/51/518751751.db2.gz LULAOLYTPBWCPD-MRXNPFEDSA-N 1 2 369.387 2.868 20 30 FFEDLO COc1ccc(C(=O)c2ccccc2)c(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000565076579 518775568 /nfs/dbraw/zinc/77/55/68/518775568.db2.gz ZYIFVWQOTGKXIO-QGZVFWFLSA-N 1 2 368.433 2.511 20 30 FFEDLO COc1ccc(C(=O)c2ccccc2)c(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000565076579 518775573 /nfs/dbraw/zinc/77/55/73/518775573.db2.gz ZYIFVWQOTGKXIO-QGZVFWFLSA-N 1 2 368.433 2.511 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cnccc2C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000582553161 518810410 /nfs/dbraw/zinc/81/04/10/518810410.db2.gz MATXRRDMKZKPTA-FUHWJXTLSA-N 1 2 374.366 2.936 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)c2cnccc2C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000582553161 518810416 /nfs/dbraw/zinc/81/04/16/518810416.db2.gz MATXRRDMKZKPTA-FUHWJXTLSA-N 1 2 374.366 2.936 20 30 FFEDLO CN(C)c1ccccc1C[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000582749814 518902910 /nfs/dbraw/zinc/90/29/10/518902910.db2.gz WHMJIHIBYIFHRN-UHFFFAOYSA-N 1 2 357.479 2.530 20 30 FFEDLO CN(C)c1ccccc1C[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000582749814 518902920 /nfs/dbraw/zinc/90/29/20/518902920.db2.gz WHMJIHIBYIFHRN-UHFFFAOYSA-N 1 2 357.479 2.530 20 30 FFEDLO C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000565398914 518933538 /nfs/dbraw/zinc/93/35/38/518933538.db2.gz VJQOOOOLRUVBSA-QAPCUYQASA-N 1 2 354.498 2.724 20 30 FFEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000582828753 518940646 /nfs/dbraw/zinc/94/06/46/518940646.db2.gz XHCUSFQUXLMQGL-WMLDXEAASA-N 1 2 353.426 2.619 20 30 FFEDLO C=CCCCCCNC(=O)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000568253392 518951142 /nfs/dbraw/zinc/95/11/42/518951142.db2.gz NLGWPPNVFZQBNU-UHFFFAOYSA-N 1 2 372.513 2.941 20 30 FFEDLO COc1cc(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)ccc1C#N ZINC000589344444 518985779 /nfs/dbraw/zinc/98/57/79/518985779.db2.gz NDUHVRKTNRTAGV-INIZCTEOSA-N 1 2 360.410 2.714 20 30 FFEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@](F)(c4ccccc4)C3)C2=O)cc1 ZINC000574101919 518988000 /nfs/dbraw/zinc/98/80/00/518988000.db2.gz WXZLHRIWSRFROH-WIYYLYMNSA-N 1 2 363.392 2.761 20 30 FFEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@](F)(c4ccccc4)C3)C2=O)cc1 ZINC000574101919 518988006 /nfs/dbraw/zinc/98/80/06/518988006.db2.gz WXZLHRIWSRFROH-WIYYLYMNSA-N 1 2 363.392 2.761 20 30 FFEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000577339381 519028832 /nfs/dbraw/zinc/02/88/32/519028832.db2.gz ZYAQXKMLIFICIJ-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO Cc1nc([C@@](C)([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C2CC2)no1 ZINC000577459540 519088920 /nfs/dbraw/zinc/08/89/20/519088920.db2.gz HXCYEIKNDUWOEI-XLIONFOSSA-N 1 2 365.437 2.660 20 30 FFEDLO Cc1nc([C@@](C)([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C2CC2)no1 ZINC000577459538 519088989 /nfs/dbraw/zinc/08/89/89/519088989.db2.gz HXCYEIKNDUWOEI-PXNSSMCTSA-N 1 2 365.437 2.660 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc4ccc(=O)[nH]c43)CC2)cc1 ZINC000583168323 519109771 /nfs/dbraw/zinc/10/97/71/519109771.db2.gz XJQZDYZSXQKXSN-UHFFFAOYSA-N 1 2 372.428 2.770 20 30 FFEDLO C=CCOc1ccc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1OC ZINC000590049966 519138041 /nfs/dbraw/zinc/13/80/41/519138041.db2.gz PDCWUFISXFIAPX-UHFFFAOYSA-N 1 2 369.343 2.949 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000583417798 519234448 /nfs/dbraw/zinc/23/44/48/519234448.db2.gz YGHXPRVFUDMJOO-SUMWQHHRSA-N 1 2 354.385 2.573 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000583417798 519234453 /nfs/dbraw/zinc/23/44/53/519234453.db2.gz YGHXPRVFUDMJOO-SUMWQHHRSA-N 1 2 354.385 2.573 20 30 FFEDLO C[C@](CO)([NH2+]Cc1nc(C#N)cs1)c1ccc(Br)cc1 ZINC000566038865 519258810 /nfs/dbraw/zinc/25/88/10/519258810.db2.gz OXGOSCMCDAGFRK-CQSZACIVSA-N 1 2 352.257 2.775 20 30 FFEDLO N#Cc1c(NC(=O)CN2CCc3[nH+]c[nH]c3C2)sc2c1CCCCC2 ZINC000590602983 519286590 /nfs/dbraw/zinc/28/65/90/519286590.db2.gz YWPAOQIYDJTFRD-UHFFFAOYSA-N 1 2 355.467 2.609 20 30 FFEDLO COc1cc(F)cc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000590638862 519298888 /nfs/dbraw/zinc/29/88/88/519298888.db2.gz YSERSLDGEHZPJF-UHFFFAOYSA-N 1 2 356.401 2.894 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1Br ZINC000590841890 519396867 /nfs/dbraw/zinc/39/68/67/519396867.db2.gz DHKCVOQSCHNIST-SMDDNHRTSA-N 1 2 359.227 2.589 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000569159020 519406261 /nfs/dbraw/zinc/40/62/61/519406261.db2.gz GBVYLJVDBKRBEB-MAUKXSAKSA-N 1 2 354.853 2.887 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000569159020 519406269 /nfs/dbraw/zinc/40/62/69/519406269.db2.gz GBVYLJVDBKRBEB-MAUKXSAKSA-N 1 2 354.853 2.887 20 30 FFEDLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000566306674 519425243 /nfs/dbraw/zinc/42/52/43/519425243.db2.gz VTXAVCJVKGGTQJ-UHFFFAOYSA-N 1 2 358.423 2.666 20 30 FFEDLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000566306674 519425246 /nfs/dbraw/zinc/42/52/46/519425246.db2.gz VTXAVCJVKGGTQJ-UHFFFAOYSA-N 1 2 358.423 2.666 20 30 FFEDLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(C#N)c(Cl)c3)[nH+]cn2)C1 ZINC000591158621 519532926 /nfs/dbraw/zinc/53/29/26/519532926.db2.gz TWLLOKUXRWWLTD-WFASDCNBSA-N 1 2 357.845 2.821 20 30 FFEDLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(C#N)c(Cl)c3)nc[nH+]2)C1 ZINC000591158621 519532932 /nfs/dbraw/zinc/53/29/32/519532932.db2.gz TWLLOKUXRWWLTD-WFASDCNBSA-N 1 2 357.845 2.821 20 30 FFEDLO N#Cc1ccsc1C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000566715023 519620886 /nfs/dbraw/zinc/62/08/86/519620886.db2.gz MSPKNZZSAVHTAR-INIZCTEOSA-N 1 2 357.504 2.967 20 30 FFEDLO N#Cc1ccsc1C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000566715023 519620889 /nfs/dbraw/zinc/62/08/89/519620889.db2.gz MSPKNZZSAVHTAR-INIZCTEOSA-N 1 2 357.504 2.967 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](c3cccnc3)C2)C1=O ZINC000602854119 519926964 /nfs/dbraw/zinc/92/69/64/519926964.db2.gz NBLURIZCKPPQAS-SJORKVTESA-N 1 2 352.463 3.000 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](c3cccnc3)C2)C1=O ZINC000602854119 519926965 /nfs/dbraw/zinc/92/69/65/519926965.db2.gz NBLURIZCKPPQAS-SJORKVTESA-N 1 2 352.463 3.000 20 30 FFEDLO C[C@@H]1C[NH+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C[C@@H](C)N1CC#N ZINC000602858871 519930865 /nfs/dbraw/zinc/93/08/65/519930865.db2.gz CIFPYBGJQYRKTD-JBYIUTFZSA-N 1 2 368.525 2.952 20 30 FFEDLO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602861917 519934452 /nfs/dbraw/zinc/93/44/52/519934452.db2.gz JJZSOTGEAULKJI-RYUDHWBXSA-N 1 2 373.375 2.949 20 30 FFEDLO COc1ccc(C2=NN(C(=O)C[NH2+][C@H](C)CC#N)[C@@H](c3ccco3)C2)cc1 ZINC000602865122 519936023 /nfs/dbraw/zinc/93/60/23/519936023.db2.gz SZQMECWMLWSARJ-RDTXWAMCSA-N 1 2 366.421 2.858 20 30 FFEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000602868613 519938769 /nfs/dbraw/zinc/93/87/69/519938769.db2.gz JWWHYILVMHKENR-NXEZZACHSA-N 1 2 357.195 2.510 20 30 FFEDLO C[C@@H](C(=O)Nc1nccs1)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602893749 519955479 /nfs/dbraw/zinc/95/54/79/519955479.db2.gz FXYDNBDRFJYATF-ZDUSSCGKSA-N 1 2 355.467 2.918 20 30 FFEDLO C[C@H]1CN(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)C[C@H](C)N1CC#N ZINC000603020352 520026672 /nfs/dbraw/zinc/02/66/72/520026672.db2.gz GCZSNOGTFPMJCL-GJZGRUSLSA-N 1 2 366.469 2.751 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)n1cnc(C#N)n1 ZINC000591856738 520063635 /nfs/dbraw/zinc/06/36/35/520063635.db2.gz JIIIOWLRRSJGPF-CYBMUJFWSA-N 1 2 361.409 2.549 20 30 FFEDLO N#Cc1cc(F)cc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000603080001 520065811 /nfs/dbraw/zinc/06/58/11/520065811.db2.gz GPZXCOHFZZPPTP-UHFFFAOYSA-N 1 2 368.412 2.851 20 30 FFEDLO COc1ccc(Cl)cc1N1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000594659545 520071213 /nfs/dbraw/zinc/07/12/13/520071213.db2.gz DSYPRFDGGGWJKB-SWLSCSKDSA-N 1 2 361.829 2.606 20 30 FFEDLO COc1ccc(Cl)cc1N1C(=O)C[C@@H]([N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000594659545 520071218 /nfs/dbraw/zinc/07/12/18/520071218.db2.gz DSYPRFDGGGWJKB-SWLSCSKDSA-N 1 2 361.829 2.606 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc1OC1CC1 ZINC000600160185 520089946 /nfs/dbraw/zinc/08/99/46/520089946.db2.gz CCDIEJAXKMXZNL-UHFFFAOYSA-N 1 2 364.449 2.825 20 30 FFEDLO N#Cc1ccc([C@@H]([NH2+]C[C@@H](OC2CCCC2)C(F)(F)F)C(N)=O)cc1 ZINC000594709819 520104664 /nfs/dbraw/zinc/10/46/64/520104664.db2.gz FPPTYXKCZDPPTQ-HUUCEWRRSA-N 1 2 355.360 2.564 20 30 FFEDLO COC(=O)c1ccc(F)c2c1CN(Cc1c[nH+]c3ccc(C#N)cn13)CC2 ZINC000600187088 520109435 /nfs/dbraw/zinc/10/94/35/520109435.db2.gz CVGWZDFSEOWAOV-UHFFFAOYSA-N 1 2 364.380 2.690 20 30 FFEDLO N#CC[C@@]1(O)CCN(c2cc[nH+]c3cc(F)c(Br)cc32)C1 ZINC000591976093 520116185 /nfs/dbraw/zinc/11/61/85/520116185.db2.gz VWHVGQRISKSWRI-OAHLLOKOSA-N 1 2 350.191 2.991 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@@H]3COc4ccccc4O3)CC2)c(F)c1 ZINC000608784408 520128363 /nfs/dbraw/zinc/12/83/63/520128363.db2.gz UBARCODPTSZYIJ-MRXNPFEDSA-N 1 2 353.397 2.659 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000594764338 520142601 /nfs/dbraw/zinc/14/26/01/520142601.db2.gz KLZWDFYTVCEDGA-UHFFFAOYSA-N 1 2 374.491 2.989 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000594767202 520145529 /nfs/dbraw/zinc/14/55/29/520145529.db2.gz MDLVEDOGWQFFGJ-CYBMUJFWSA-N 1 2 372.475 2.571 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000594768548 520146286 /nfs/dbraw/zinc/14/62/86/520146286.db2.gz VTIQSMRKBWRCIY-NWDGAFQWSA-N 1 2 363.508 2.795 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000594768548 520146291 /nfs/dbraw/zinc/14/62/91/520146291.db2.gz VTIQSMRKBWRCIY-NWDGAFQWSA-N 1 2 363.508 2.795 20 30 FFEDLO N#Cc1cc(S(=O)(=O)Nc2cnn(-c3cc[nH+]cc3)c2)ccc1Cl ZINC000608909077 520161579 /nfs/dbraw/zinc/16/15/79/520161579.db2.gz QLGSTSJCQNJQOX-UHFFFAOYSA-N 1 2 359.798 2.593 20 30 FFEDLO CC[C@H](C)[C@@H]1CN(Cc2ccncc2C#N)CC[N@@H+]1Cc1ccncc1C#N ZINC000592085651 520173346 /nfs/dbraw/zinc/17/33/46/520173346.db2.gz IGVBWOFZLJOYQB-JTSKRJEESA-N 1 2 374.492 2.952 20 30 FFEDLO CC[C@H](C)[C@@H]1CN(Cc2ccncc2C#N)CC[N@H+]1Cc1ccncc1C#N ZINC000592085651 520173350 /nfs/dbraw/zinc/17/33/50/520173350.db2.gz IGVBWOFZLJOYQB-JTSKRJEESA-N 1 2 374.492 2.952 20 30 FFEDLO N#Cc1cc(NCc2cc[nH+]c(N3CCCC3)c2)ncc1Br ZINC000603269894 520188328 /nfs/dbraw/zinc/18/83/28/520188328.db2.gz COZLCBRTYFRNMK-UHFFFAOYSA-N 1 2 358.243 2.745 20 30 FFEDLO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148336 520226239 /nfs/dbraw/zinc/22/62/39/520226239.db2.gz UGUMEKMAEQDUPG-FQEVSTJZSA-N 1 2 353.422 2.570 20 30 FFEDLO CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148336 520226248 /nfs/dbraw/zinc/22/62/48/520226248.db2.gz UGUMEKMAEQDUPG-FQEVSTJZSA-N 1 2 353.422 2.570 20 30 FFEDLO N#Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)c(F)c1 ZINC000609234319 520239699 /nfs/dbraw/zinc/23/96/99/520239699.db2.gz UBBYLUCYDAXSIM-OAHLLOKOSA-N 1 2 362.202 2.776 20 30 FFEDLO Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCN([C@H](C#N)C(C)C)CC2)cc1C ZINC000609484738 520328648 /nfs/dbraw/zinc/32/86/48/520328648.db2.gz JFYPSOYPPDVTAR-UYAOXDASSA-N 1 2 356.514 2.646 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597942376 520341229 /nfs/dbraw/zinc/34/12/29/520341229.db2.gz WPUUMUPFJPZKJA-HNNXBMFYSA-N 1 2 350.422 2.637 20 30 FFEDLO Cc1cc(C)n([C@H](C)CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000603696934 520345090 /nfs/dbraw/zinc/34/50/90/520345090.db2.gz AXCKIKWGJMDMFW-GOSISDBHSA-N 1 2 365.481 2.667 20 30 FFEDLO CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c[nH+]1 ZINC000603691964 520345219 /nfs/dbraw/zinc/34/52/19/520345219.db2.gz ZQLGMVLICRLMFB-OAHLLOKOSA-N 1 2 352.438 2.883 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000609539289 520349944 /nfs/dbraw/zinc/34/99/44/520349944.db2.gz WZUDPGQKOUDGHT-OPYAIIAOSA-N 1 2 368.525 2.909 20 30 FFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000609609306 520376205 /nfs/dbraw/zinc/37/62/05/520376205.db2.gz RWXXXQXXTWEDEB-UHFFFAOYSA-N 1 2 359.798 2.593 20 30 FFEDLO Cc1cc(C(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)ncc1C#N ZINC000600677447 520391367 /nfs/dbraw/zinc/39/13/67/520391367.db2.gz FBYPBPWODQCWMX-UHFFFAOYSA-N 1 2 359.433 2.701 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)nc1)c1ccc(Cl)cc1 ZINC000609641161 520393167 /nfs/dbraw/zinc/39/31/67/520393167.db2.gz CIQCPHISCNEKMJ-MRXNPFEDSA-N 1 2 351.797 2.860 20 30 FFEDLO COc1cccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1Cl ZINC000595340061 520417756 /nfs/dbraw/zinc/41/77/56/520417756.db2.gz UWCYBEDISVJVJP-CYBMUJFWSA-N 1 2 357.845 2.721 20 30 FFEDLO COc1cccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1Cl ZINC000595340061 520417764 /nfs/dbraw/zinc/41/77/64/520417764.db2.gz UWCYBEDISVJVJP-CYBMUJFWSA-N 1 2 357.845 2.721 20 30 FFEDLO C[C@H](C(=O)N(C)c1cccc(C#N)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000609792667 520433123 /nfs/dbraw/zinc/43/31/23/520433123.db2.gz OGHMAFVZVOWEMD-MRXNPFEDSA-N 1 2 366.440 2.871 20 30 FFEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000595410219 520454076 /nfs/dbraw/zinc/45/40/76/520454076.db2.gz WDZRLTLIYPVPBN-MRXNPFEDSA-N 1 2 360.259 2.555 20 30 FFEDLO Cc1ccc([C@@H](CNc2cc(C#N)c3ccccc3n2)[NH+]2CCOCC2)o1 ZINC000609890619 520470749 /nfs/dbraw/zinc/47/07/49/520470749.db2.gz GYAONHKQYVMXOQ-LJQANCHMSA-N 1 2 362.433 2.915 20 30 FFEDLO CCC(CC)NC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000600829008 520491817 /nfs/dbraw/zinc/49/18/17/520491817.db2.gz FCIAJEIAHZNXGG-HNAYVOBHSA-N 1 2 360.477 2.701 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+]([C@H]1CC(=O)N(c3ccc(F)cc3)C1=O)C2 ZINC000600885657 520513133 /nfs/dbraw/zinc/51/31/33/520513133.db2.gz JSGSCWRRAOQOOC-IBGZPJMESA-N 1 2 363.392 2.582 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+]([C@H]1CC(=O)N(c3ccc(F)cc3)C1=O)C2 ZINC000600885657 520513140 /nfs/dbraw/zinc/51/31/40/520513140.db2.gz JSGSCWRRAOQOOC-IBGZPJMESA-N 1 2 363.392 2.582 20 30 FFEDLO C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000595514196 520521673 /nfs/dbraw/zinc/52/16/73/520521673.db2.gz BPXVSSOFSFEXFR-CYBMUJFWSA-N 1 2 372.860 2.865 20 30 FFEDLO C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000595514196 520521682 /nfs/dbraw/zinc/52/16/82/520521682.db2.gz BPXVSSOFSFEXFR-CYBMUJFWSA-N 1 2 372.860 2.865 20 30 FFEDLO C=CCSCCNC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000604488327 520577834 /nfs/dbraw/zinc/57/78/34/520577834.db2.gz LDZKPCIQMPDQLS-UHFFFAOYSA-N 1 2 363.527 2.750 20 30 FFEDLO CCOC(=O)c1[nH]c(C[N@@H+]2CCC[C@H](CC#N)C2)c(C(=O)OCC)c1C ZINC000595609166 520590501 /nfs/dbraw/zinc/59/05/01/520590501.db2.gz HIRYNKSOBKOSMM-CQSZACIVSA-N 1 2 361.442 2.802 20 30 FFEDLO CCOC(=O)c1[nH]c(C[N@H+]2CCC[C@H](CC#N)C2)c(C(=O)OCC)c1C ZINC000595609166 520590512 /nfs/dbraw/zinc/59/05/12/520590512.db2.gz HIRYNKSOBKOSMM-CQSZACIVSA-N 1 2 361.442 2.802 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000604537949 520593494 /nfs/dbraw/zinc/59/34/94/520593494.db2.gz DSAPSWZSDHDXDP-UHFFFAOYSA-N 1 2 360.845 2.509 20 30 FFEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C3(C#N)CC4(CC4)C3)CC2)c1 ZINC000601038405 520608518 /nfs/dbraw/zinc/60/85/18/520608518.db2.gz NOYMXPXYHHTVSJ-MRXNPFEDSA-N 1 2 353.466 2.984 20 30 FFEDLO Cc1nnc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)o1 ZINC000595704185 520663331 /nfs/dbraw/zinc/66/33/31/520663331.db2.gz JHDAQRINPXIIMV-LLVKDONJSA-N 1 2 373.482 2.897 20 30 FFEDLO Cc1nnc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)o1 ZINC000595704185 520663337 /nfs/dbraw/zinc/66/33/37/520663337.db2.gz JHDAQRINPXIIMV-LLVKDONJSA-N 1 2 373.482 2.897 20 30 FFEDLO C[C@H](CC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)n1cc[nH+]c1 ZINC000593044797 520704173 /nfs/dbraw/zinc/70/41/73/520704173.db2.gz LSFMQAZHOBFPFR-OAHLLOKOSA-N 1 2 365.437 2.583 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000595827963 520751061 /nfs/dbraw/zinc/75/10/61/520751061.db2.gz GHQVHJJVWFPRBW-BBRMVZONSA-N 1 2 358.269 2.671 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000610604324 520762383 /nfs/dbraw/zinc/76/23/83/520762383.db2.gz RMBCVPLZCGRLMF-MHTWAQMVSA-N 1 2 367.493 2.928 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000610604324 520762391 /nfs/dbraw/zinc/76/23/91/520762391.db2.gz RMBCVPLZCGRLMF-MHTWAQMVSA-N 1 2 367.493 2.928 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCc2ccccc2[C@H]1C(=O)OC(C)(C)C ZINC000595917813 520823288 /nfs/dbraw/zinc/82/32/88/520823288.db2.gz OLQYYXSSEMUIDB-IBGZPJMESA-N 1 2 371.481 2.690 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@H+]1CCc2ccccc2[C@H]1C(=O)OC(C)(C)C ZINC000595917813 520823292 /nfs/dbraw/zinc/82/32/92/520823292.db2.gz OLQYYXSSEMUIDB-IBGZPJMESA-N 1 2 371.481 2.690 20 30 FFEDLO CC(C)(CCC#N)CNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601600876 520860433 /nfs/dbraw/zinc/86/04/33/520860433.db2.gz FQQFLWNTCSOAHM-UHFFFAOYSA-N 1 2 361.515 2.764 20 30 FFEDLO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593276565 520874925 /nfs/dbraw/zinc/87/49/25/520874925.db2.gz TVFDXOJFPQVXHX-UHFFFAOYSA-N 1 2 358.467 2.774 20 30 FFEDLO N#Cc1cc2cccnc2nc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000596053511 520881257 /nfs/dbraw/zinc/88/12/57/520881257.db2.gz HOCSZBJCCIMQRO-LJQANCHMSA-N 1 2 359.433 2.814 20 30 FFEDLO N#Cc1cc2cccnc2nc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000596053511 520881263 /nfs/dbraw/zinc/88/12/63/520881263.db2.gz HOCSZBJCCIMQRO-LJQANCHMSA-N 1 2 359.433 2.814 20 30 FFEDLO N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)o1 ZINC000598945881 520936632 /nfs/dbraw/zinc/93/66/32/520936632.db2.gz DBZVTBJYIRIKSA-OAHLLOKOSA-N 1 2 362.389 2.672 20 30 FFEDLO Cc1cc(Br)cn2cc(CCNc3c(C#N)cnn3C)[nH+]c12 ZINC000596199297 520965526 /nfs/dbraw/zinc/96/55/26/520965526.db2.gz RRNCFLXSRBLXOJ-UHFFFAOYSA-N 1 2 359.231 2.665 20 30 FFEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)CCN1Cc1ccnc(C#N)c1 ZINC000611073775 520970406 /nfs/dbraw/zinc/97/04/06/520970406.db2.gz PKBFKPMNEGDPPI-VGSWGCGISA-N 1 2 374.492 2.952 20 30 FFEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCN1Cc1ccnc(C#N)c1 ZINC000611073775 520970417 /nfs/dbraw/zinc/97/04/17/520970417.db2.gz PKBFKPMNEGDPPI-VGSWGCGISA-N 1 2 374.492 2.952 20 30 FFEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000614546571 521021834 /nfs/dbraw/zinc/02/18/34/521021834.db2.gz YRKPWHOOBCJSDX-GOSISDBHSA-N 1 2 354.454 2.767 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+]([C@H]3CC(=O)N(c4ccccc4)C3=O)CC2)cc1 ZINC000611245871 521056132 /nfs/dbraw/zinc/05/61/32/521056132.db2.gz AULSVPGTUCGQOK-FQEVSTJZSA-N 1 2 357.413 2.979 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+]([C@H]3CC(=O)N(c4ccccc4)C3=O)CC2)cc1 ZINC000611245871 521056142 /nfs/dbraw/zinc/05/61/42/521056142.db2.gz AULSVPGTUCGQOK-FQEVSTJZSA-N 1 2 357.413 2.979 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc(OC)c1 ZINC000611260361 521063815 /nfs/dbraw/zinc/06/38/15/521063815.db2.gz VHHYTJUSEKCRNN-UHFFFAOYSA-N 1 2 368.437 2.763 20 30 FFEDLO CC(C)C[C@H](C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)n1cc[nH+]c1 ZINC000602039607 521094509 /nfs/dbraw/zinc/09/45/09/521094509.db2.gz FTYFFXNZIGWCHX-WOJBJXKFSA-N 1 2 365.481 2.879 20 30 FFEDLO CC1(C)Cc2n[nH]cc2C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000596597335 521153655 /nfs/dbraw/zinc/15/36/55/521153655.db2.gz PBMIGOAVLPKCGR-OAHLLOKOSA-N 1 2 355.467 2.533 20 30 FFEDLO CC1(C)Cc2n[nH]cc2C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000596597335 521153667 /nfs/dbraw/zinc/15/36/67/521153667.db2.gz PBMIGOAVLPKCGR-OAHLLOKOSA-N 1 2 355.467 2.533 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598175 521156881 /nfs/dbraw/zinc/15/68/81/521156881.db2.gz DDRWKEJRNHKZCT-CQSZACIVSA-N 1 2 351.454 2.703 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598175 521156889 /nfs/dbraw/zinc/15/68/89/521156889.db2.gz DDRWKEJRNHKZCT-CQSZACIVSA-N 1 2 351.454 2.703 20 30 FFEDLO Cc1csc([C@H](C)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000596659216 521196639 /nfs/dbraw/zinc/19/66/39/521196639.db2.gz VOLNBNHCNYRBEL-HNNXBMFYSA-N 1 2 354.479 2.771 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(F)c(C#N)c(F)c3)CC2)cc1 ZINC000596657919 521197001 /nfs/dbraw/zinc/19/70/01/521197001.db2.gz CPSHJIQPRDCBCG-UHFFFAOYSA-N 1 2 366.371 2.666 20 30 FFEDLO N#CC1(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCCCC1 ZINC000596671966 521207031 /nfs/dbraw/zinc/20/70/31/521207031.db2.gz NYMZYIRESNPSTP-UHFFFAOYSA-N 1 2 355.482 2.999 20 30 FFEDLO N#Cc1c(F)cc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1F ZINC000596679405 521212707 /nfs/dbraw/zinc/21/27/07/521212707.db2.gz KCTZMXQBGLSVLV-IBGZPJMESA-N 1 2 371.387 2.640 20 30 FFEDLO CN(C(=O)C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CCCCC1 ZINC000611550750 521214299 /nfs/dbraw/zinc/21/42/99/521214299.db2.gz JMLKDZPKHINSLH-HXUWFJFHSA-N 1 2 372.488 2.799 20 30 FFEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1ccc(Cl)cc1C#N ZINC000599444119 521231001 /nfs/dbraw/zinc/23/10/01/521231001.db2.gz HDQQHBLATPGCML-SFHVURJKSA-N 1 2 352.829 2.816 20 30 FFEDLO C=CCOCC[NH2+][C@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000599595497 521319495 /nfs/dbraw/zinc/31/94/95/521319495.db2.gz VCWCXBHQYABGNP-QGZVFWFLSA-N 1 2 368.271 2.642 20 30 FFEDLO N#CC1(CNC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)CCCCC1 ZINC000596860433 521337739 /nfs/dbraw/zinc/33/77/39/521337739.db2.gz ZPLWZBMNARSCOP-UHFFFAOYSA-N 1 2 374.485 2.597 20 30 FFEDLO Cc1cc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)sn1 ZINC000602442460 521348909 /nfs/dbraw/zinc/34/89/09/521348909.db2.gz AYAYMFPNPHFHJV-UHFFFAOYSA-N 1 2 355.423 2.893 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1)C1CC1 ZINC000599636609 521349311 /nfs/dbraw/zinc/34/93/11/521349311.db2.gz ZRFSQRCLYFXHKB-KRWDZBQOSA-N 1 2 351.372 2.872 20 30 FFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCc2cc(C(F)(F)F)ccc2C1)C1CC1 ZINC000599636609 521349318 /nfs/dbraw/zinc/34/93/18/521349318.db2.gz ZRFSQRCLYFXHKB-KRWDZBQOSA-N 1 2 351.372 2.872 20 30 FFEDLO Cc1noc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)n1 ZINC000594053951 521373974 /nfs/dbraw/zinc/37/39/74/521373974.db2.gz SKYZZRPXUWDQAK-NSHDSACASA-N 1 2 373.482 2.897 20 30 FFEDLO Cc1noc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)n1 ZINC000594053951 521373981 /nfs/dbraw/zinc/37/39/81/521373981.db2.gz SKYZZRPXUWDQAK-NSHDSACASA-N 1 2 373.482 2.897 20 30 FFEDLO CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676916 521392912 /nfs/dbraw/zinc/39/29/12/521392912.db2.gz CRMKZZDHCQPSCH-UHFFFAOYSA-N 1 2 353.388 2.912 20 30 FFEDLO CCCN(CC(F)(F)F)C(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676916 521392915 /nfs/dbraw/zinc/39/29/15/521392915.db2.gz CRMKZZDHCQPSCH-UHFFFAOYSA-N 1 2 353.388 2.912 20 30 FFEDLO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676945 521392979 /nfs/dbraw/zinc/39/29/79/521392979.db2.gz WCECZGYUDIUZQY-MRXNPFEDSA-N 1 2 363.461 2.997 20 30 FFEDLO COc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676945 521392989 /nfs/dbraw/zinc/39/29/89/521392989.db2.gz WCECZGYUDIUZQY-MRXNPFEDSA-N 1 2 363.461 2.997 20 30 FFEDLO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678728 521394951 /nfs/dbraw/zinc/39/49/51/521394951.db2.gz LXKLBCKVTYXVMH-DYESRHJHSA-N 1 2 369.509 2.822 20 30 FFEDLO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678728 521394958 /nfs/dbraw/zinc/39/49/58/521394958.db2.gz LXKLBCKVTYXVMH-DYESRHJHSA-N 1 2 369.509 2.822 20 30 FFEDLO N#Cc1cnc2ccccc2c1N1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000596993466 521431834 /nfs/dbraw/zinc/43/18/34/521431834.db2.gz PYUADYUQYXJCOE-UHFFFAOYSA-N 1 2 358.449 2.571 20 30 FFEDLO Cc1cccc([C@@H](CNC(=O)N2CCC[C@](C)(C#N)C2)[NH+]2CCOCC2)c1 ZINC000612100070 521478938 /nfs/dbraw/zinc/47/89/38/521478938.db2.gz TUHAZNOOZQZJMS-TZIWHRDSSA-N 1 2 370.497 2.704 20 30 FFEDLO N#CCC1(C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000602772037 521524123 /nfs/dbraw/zinc/52/41/23/521524123.db2.gz MTRUZUGKMKUMCS-UHFFFAOYSA-N 1 2 362.271 2.901 20 30 FFEDLO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)c2ccccc2CC#N)CC1 ZINC000619572110 521774426 /nfs/dbraw/zinc/77/44/26/521774426.db2.gz OBHIHOSQDMSRRN-UHFFFAOYSA-N 1 2 369.490 2.568 20 30 FFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000619608702 521794048 /nfs/dbraw/zinc/79/40/48/521794048.db2.gz NJPMNTQSEUVENB-UHFFFAOYSA-N 1 2 359.433 2.831 20 30 FFEDLO C=CCCC(C)(C)CNC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000633191564 522587899 /nfs/dbraw/zinc/58/78/99/522587899.db2.gz UTOYSVNOLKGDRG-UHFFFAOYSA-N 1 2 367.534 2.548 20 30 FFEDLO C=C1CC(C)(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000633364687 522701356 /nfs/dbraw/zinc/70/13/56/522701356.db2.gz GLQWKPYOICKLBU-UHFFFAOYSA-N 1 2 366.259 2.976 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)C1 ZINC000630842472 523181222 /nfs/dbraw/zinc/18/12/22/523181222.db2.gz TVLFHAUEODJHQK-UHFFFAOYSA-N 1 2 358.873 2.988 20 30 FFEDLO CC[C@](C)([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)c1nccs1 ZINC000625252241 523291484 /nfs/dbraw/zinc/29/14/84/523291484.db2.gz CYTHZIUPXMOMQX-IBGZPJMESA-N 1 2 353.447 2.658 20 30 FFEDLO C=CCn1c(C2CCCC2)n[n-]c1=[NH+]c1cnn(C2CC[NH+](C)CC2)c1 ZINC000634342098 523358975 /nfs/dbraw/zinc/35/89/75/523358975.db2.gz ZLRGVPDQBHBJFK-UHFFFAOYSA-N 1 2 355.490 2.750 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1OC ZINC000628247472 523437299 /nfs/dbraw/zinc/43/72/99/523437299.db2.gz CIPBVSGGBUJTLA-ZQIUZPCESA-N 1 2 364.873 2.999 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1OC ZINC000628247472 523437310 /nfs/dbraw/zinc/43/73/10/523437310.db2.gz CIPBVSGGBUJTLA-ZQIUZPCESA-N 1 2 364.873 2.999 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625799902 523697462 /nfs/dbraw/zinc/69/74/62/523697462.db2.gz QSKIYDHCLUYCNZ-OAQYLSRUSA-N 1 2 356.466 2.911 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625799902 523697469 /nfs/dbraw/zinc/69/74/69/523697469.db2.gz QSKIYDHCLUYCNZ-OAQYLSRUSA-N 1 2 356.466 2.911 20 30 FFEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736199118 599307124 /nfs/dbraw/zinc/30/71/24/599307124.db2.gz NVMKXKOZBHSWTO-INIZCTEOSA-N 1 2 373.464 2.617 20 30 FFEDLO C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000833551101 604925007 /nfs/dbraw/zinc/92/50/07/604925007.db2.gz QSXFCYOEORSGHE-MGPUTAFESA-N 1 2 364.449 2.894 20 30 FFEDLO C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000833550590 604925214 /nfs/dbraw/zinc/92/52/14/604925214.db2.gz PBJABTSJKKEEMO-FOIQADDNSA-N 1 2 364.449 2.894 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3CNC(=O)[O-])CC2)cc1 ZINC000833971272 606007857 /nfs/dbraw/zinc/00/78/57/606007857.db2.gz CPTZIRCCLUZYLX-IEBWSBKVSA-N 1 2 356.470 2.549 20 30 FFEDLO C=CC[N@@H+](C)CC1=C(C(=O)OCC)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 ZINC000121448488 728627412 /nfs/dbraw/zinc/62/74/12/728627412.db2.gz IRHQDWPHHZJNRH-MRXNPFEDSA-N 1 2 363.845 2.629 20 30 FFEDLO C=CC[N@H+](C)CC1=C(C(=O)OCC)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 ZINC000121448488 728627415 /nfs/dbraw/zinc/62/74/15/728627415.db2.gz IRHQDWPHHZJNRH-MRXNPFEDSA-N 1 2 363.845 2.629 20 30 FFEDLO C=CC[N@@H+](C)CC1=NC(=O)N[C@H](c2ccc(Cl)cc2)C1C(=O)OCC ZINC000121448488 728627417 /nfs/dbraw/zinc/62/74/17/728627417.db2.gz IRHQDWPHHZJNRH-MRXNPFEDSA-N 1 2 363.845 2.629 20 30 FFEDLO C=CC[N@H+](C)CC1=NC(=O)N[C@H](c2ccc(Cl)cc2)C1C(=O)OCC ZINC000121448488 728627418 /nfs/dbraw/zinc/62/74/18/728627418.db2.gz IRHQDWPHHZJNRH-MRXNPFEDSA-N 1 2 363.845 2.629 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000133343550 728726725 /nfs/dbraw/zinc/72/67/25/728726725.db2.gz RYBSOHBBDTVUEI-MRXNPFEDSA-N 1 2 352.837 2.600 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000133343550 728726726 /nfs/dbraw/zinc/72/67/26/728726726.db2.gz RYBSOHBBDTVUEI-MRXNPFEDSA-N 1 2 352.837 2.600 20 30 FFEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(NS(C)(=O)=O)cc3)n2c1 ZINC000255419325 729639626 /nfs/dbraw/zinc/63/96/26/729639626.db2.gz MKIHCELFOYTHKI-HJWRWDBZSA-N 1 2 355.419 2.910 20 30 FFEDLO N#Cc1sc2ccccc2c1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000906912922 736558939 /nfs/dbraw/zinc/55/89/39/736558939.db2.gz QGESNCDXTVTWMD-CYBMUJFWSA-N 1 2 372.475 2.995 20 30 FFEDLO N#Cc1ccc(C[NH2+]Cc2ncc(I)s2)cc1 ZINC000306113485 729738985 /nfs/dbraw/zinc/73/89/85/729738985.db2.gz YAZCTRHMFKJYSG-UHFFFAOYSA-N 1 2 355.204 2.909 20 30 FFEDLO O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330209343 729800374 /nfs/dbraw/zinc/80/03/74/729800374.db2.gz BQNZFFRBHJRPKW-JJRVBVJISA-N 1 2 350.488 2.558 20 30 FFEDLO N#CCOc1ccc(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000874320166 732041572 /nfs/dbraw/zinc/04/15/72/732041572.db2.gz VCCFQASTQUAWKO-CQSZACIVSA-N 1 2 352.316 2.595 20 30 FFEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC(F)(F)CNC(=O)OC(C)(C)C ZINC000877429469 732360856 /nfs/dbraw/zinc/36/08/56/732360856.db2.gz HQTMKHHNEOEWEO-CYBMUJFWSA-N 1 2 361.433 2.835 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880585813 732926974 /nfs/dbraw/zinc/92/69/74/732926974.db2.gz UVKSFRAKYWEXSB-MRXNPFEDSA-N 1 2 365.271 2.684 20 30 FFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880585813 732926976 /nfs/dbraw/zinc/92/69/76/732926976.db2.gz UVKSFRAKYWEXSB-MRXNPFEDSA-N 1 2 365.271 2.684 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(CCC#N)cc2)C1 ZINC000885077251 733620093 /nfs/dbraw/zinc/62/00/93/733620093.db2.gz PXNFNTDRTOYWNX-IBGZPJMESA-N 1 2 355.463 2.608 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(CCC#N)cc2)C1 ZINC000885077251 733620096 /nfs/dbraw/zinc/62/00/96/733620096.db2.gz PXNFNTDRTOYWNX-IBGZPJMESA-N 1 2 355.463 2.608 20 30 FFEDLO N#Cc1csc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000887982032 734000664 /nfs/dbraw/zinc/00/06/64/734000664.db2.gz RNBRJERJMQERBT-INIZCTEOSA-N 1 2 358.442 2.825 20 30 FFEDLO N#Cc1csc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000887982032 734000669 /nfs/dbraw/zinc/00/06/69/734000669.db2.gz RNBRJERJMQERBT-INIZCTEOSA-N 1 2 358.442 2.825 20 30 FFEDLO Fc1cc(C=[NH+]NC(=S)NC2CCCCC2)ccc1N1CCOCC1 ZINC000727253767 734474393 /nfs/dbraw/zinc/47/43/93/734474393.db2.gz ILNJUAVPQYYIBK-UHFFFAOYSA-N 1 2 364.490 2.793 20 30 FFEDLO C#CC[C@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2F)n1 ZINC000895489712 735014501 /nfs/dbraw/zinc/01/45/01/735014501.db2.gz HCLQYVBIVJFBOQ-CYBMUJFWSA-N 1 2 365.405 2.580 20 30 FFEDLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000741147668 735120378 /nfs/dbraw/zinc/12/03/78/735120378.db2.gz LAJNBXPMUYWSAC-WBMJQRKESA-N 1 2 363.845 2.956 20 30 FFEDLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000741147668 735120381 /nfs/dbraw/zinc/12/03/81/735120381.db2.gz LAJNBXPMUYWSAC-WBMJQRKESA-N 1 2 363.845 2.956 20 30 FFEDLO C#CC[N@@H+](CCCc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000748818611 735674766 /nfs/dbraw/zinc/67/47/66/735674766.db2.gz ZPFIBSFNFKHFDO-MRXNPFEDSA-N 1 2 359.413 2.760 20 30 FFEDLO C#CC[N@H+](CCCc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000748818611 735674767 /nfs/dbraw/zinc/67/47/67/735674767.db2.gz ZPFIBSFNFKHFDO-MRXNPFEDSA-N 1 2 359.413 2.760 20 30 FFEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1ccc(F)cc1Cl ZINC000901319735 735766771 /nfs/dbraw/zinc/76/67/71/735766771.db2.gz DXZUAQRPRMVARG-UHFFFAOYSA-N 1 2 351.813 2.804 20 30 FFEDLO CCCCCCCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000754840467 736207235 /nfs/dbraw/zinc/20/72/35/736207235.db2.gz CDCMESQLRZZXLT-SFHVURJKSA-N 1 2 357.564 2.854 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2c3ccccc3CC[C@H]2F)c1 ZINC000905452207 736342195 /nfs/dbraw/zinc/34/21/95/736342195.db2.gz JFCAEOZRFDUQIM-RTBURBONSA-N 1 2 358.438 2.947 20 30 FFEDLO C[N@H+](CCOc1ccc(Cl)cc1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766612417 737246151 /nfs/dbraw/zinc/24/61/51/737246151.db2.gz VXRLVBGQZKBPCU-UHFFFAOYSA-N 1 2 357.841 2.830 20 30 FFEDLO C[N@@H+](CCOc1ccc(Cl)cc1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766612417 737246154 /nfs/dbraw/zinc/24/61/54/737246154.db2.gz VXRLVBGQZKBPCU-UHFFFAOYSA-N 1 2 357.841 2.830 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000767697802 737356646 /nfs/dbraw/zinc/35/66/46/737356646.db2.gz WOIXGRCIXGFDCS-OAHLLOKOSA-N 1 2 350.484 2.538 20 30 FFEDLO C#CC[N@@H+](C[C@@H](C)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000768931459 737479290 /nfs/dbraw/zinc/47/92/90/737479290.db2.gz FBIBNYGDVBSSQC-CJNGLKHVSA-N 1 2 370.312 2.675 20 30 FFEDLO C#CC[N@H+](C[C@@H](C)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000768931459 737479292 /nfs/dbraw/zinc/47/92/92/737479292.db2.gz FBIBNYGDVBSSQC-CJNGLKHVSA-N 1 2 370.312 2.675 20 30 FFEDLO Cc1nnc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)s1 ZINC000773178237 737877535 /nfs/dbraw/zinc/87/75/35/737877535.db2.gz VVDYWLLECFAXPQ-UHFFFAOYSA-N 1 2 355.423 2.658 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)[C@H]1CCCO1 ZINC000775344047 738085617 /nfs/dbraw/zinc/08/56/17/738085617.db2.gz CEILYFONVBYBAQ-UKRRQHHQSA-N 1 2 351.237 2.845 20 30 FFEDLO CCOC(=O)c1cc(C[NH2+]Cc2cc(C#N)ccc2Br)on1 ZINC000922317053 738120889 /nfs/dbraw/zinc/12/08/89/738120889.db2.gz CQGBYBXMJCBWQT-UHFFFAOYSA-N 1 2 364.199 2.775 20 30 FFEDLO C[C@H]1C[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)CCN1CC(F)(F)F ZINC000930135028 739063186 /nfs/dbraw/zinc/06/31/86/739063186.db2.gz YNPPOWZLHWCLED-IUCAKERBSA-N 1 2 358.273 2.503 20 30 FFEDLO C[C@H]1C[N@@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)CCN1CC(F)(F)F ZINC000930135028 739063191 /nfs/dbraw/zinc/06/31/91/739063191.db2.gz YNPPOWZLHWCLED-IUCAKERBSA-N 1 2 358.273 2.503 20 30 FFEDLO N#Cc1cc(Cl)cc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c1 ZINC000930335980 739089753 /nfs/dbraw/zinc/08/97/53/739089753.db2.gz DFWJUCJHNFJPEP-UHFFFAOYSA-N 1 2 367.902 2.602 20 30 FFEDLO C#CC1(O)CC[NH+]([C@H](C)C(=O)N(c2nccs2)C2CCCCC2)CC1 ZINC000931146894 739219172 /nfs/dbraw/zinc/21/91/72/739219172.db2.gz SAUYXZZNEOCFJG-OAHLLOKOSA-N 1 2 361.511 2.657 20 30 FFEDLO O=C1[C@@H]([NH+]2CCC3(CC2)CC(=O)C=CO3)CCN1c1cccc(Cl)c1 ZINC000933651372 739667156 /nfs/dbraw/zinc/66/71/56/739667156.db2.gz HTLARPYAPQFURP-KRWDZBQOSA-N 1 2 360.841 2.783 20 30 FFEDLO CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933654273 739667619 /nfs/dbraw/zinc/66/76/19/739667619.db2.gz QCXBPVCVEHZFQA-UHFFFAOYSA-N 1 2 368.886 2.698 20 30 FFEDLO CN(C)c1ccc(C=[NH+]Nc2ccccc2S(=O)(=O)N(C)C)cc1F ZINC000793191555 739750290 /nfs/dbraw/zinc/75/02/90/739750290.db2.gz LEFXMSNZINCKFA-UHFFFAOYSA-N 1 2 364.446 2.588 20 30 FFEDLO CC(Cn1cc(C(F)(F)F)ccc1=O)=[NH+]n1cc(Br)cn1 ZINC000794525011 739900674 /nfs/dbraw/zinc/90/06/74/739900674.db2.gz YFDORGYUKRKCDI-UHFFFAOYSA-N 1 2 363.137 2.750 20 30 FFEDLO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794632533 739912943 /nfs/dbraw/zinc/91/29/43/739912943.db2.gz QLPJWDICZBFZFN-OAHLLOKOSA-N 1 2 356.499 2.705 20 30 FFEDLO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794632533 739912945 /nfs/dbraw/zinc/91/29/45/739912945.db2.gz QLPJWDICZBFZFN-OAHLLOKOSA-N 1 2 356.499 2.705 20 30 FFEDLO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)Cn1cccc(C#N)c1=O ZINC000795633582 740046661 /nfs/dbraw/zinc/04/66/61/740046661.db2.gz DMTSIOPUDYHFTO-UHFFFAOYSA-N 1 2 351.328 2.751 20 30 FFEDLO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)Cn1cccc(C#N)c1=O ZINC000795633582 740046666 /nfs/dbraw/zinc/04/66/66/740046666.db2.gz DMTSIOPUDYHFTO-UHFFFAOYSA-N 1 2 351.328 2.751 20 30 FFEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)C2)C1 ZINC000972421424 740829639 /nfs/dbraw/zinc/82/96/39/740829639.db2.gz GXAMBFIZJLVOHX-BFYDXBDKSA-N 1 2 360.420 2.844 20 30 FFEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)C2)C1 ZINC000972421424 740829645 /nfs/dbraw/zinc/82/96/45/740829645.db2.gz GXAMBFIZJLVOHX-BFYDXBDKSA-N 1 2 360.420 2.844 20 30 FFEDLO C#CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000805059482 740933292 /nfs/dbraw/zinc/93/32/92/740933292.db2.gz VFARNRONVKZVBU-MSOLQXFVSA-N 1 2 370.465 2.821 20 30 FFEDLO C#CCCCS(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000805059482 740933293 /nfs/dbraw/zinc/93/32/93/740933293.db2.gz VFARNRONVKZVBU-MSOLQXFVSA-N 1 2 370.465 2.821 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](C/C(Cl)=C/Cl)C2 ZINC000982023387 741187122 /nfs/dbraw/zinc/18/71/22/741187122.db2.gz DIVRZDJTFJINLK-LPVIATNSSA-N 1 2 359.297 2.821 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](C/C(Cl)=C/Cl)C2 ZINC000982023387 741187125 /nfs/dbraw/zinc/18/71/25/741187125.db2.gz DIVRZDJTFJINLK-LPVIATNSSA-N 1 2 359.297 2.821 20 30 FFEDLO C=CCSc1nc2ccccc2n1C[N@H+]1CCOC[C@@H]1CC(=O)OC ZINC000808210848 741198843 /nfs/dbraw/zinc/19/88/43/741198843.db2.gz HXRWXSUXVKPLFJ-AWEZNQCLSA-N 1 2 361.467 2.536 20 30 FFEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1CCOC[C@@H]1CC(=O)OC ZINC000808210848 741198845 /nfs/dbraw/zinc/19/88/45/741198845.db2.gz HXRWXSUXVKPLFJ-AWEZNQCLSA-N 1 2 361.467 2.536 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001008561560 742381060 /nfs/dbraw/zinc/38/10/60/742381060.db2.gz YWNZMOSEXJQTOT-NUJGCVRESA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC001008561560 742381065 /nfs/dbraw/zinc/38/10/65/742381065.db2.gz YWNZMOSEXJQTOT-NUJGCVRESA-N 1 2 350.409 2.637 20 30 FFEDLO Cc1ccc(N=C2NC(=O)/C(=C/c3c[nH+]c(N(C)C)n3C)S2)c(C)c1 ZINC000821031997 742579585 /nfs/dbraw/zinc/57/95/85/742579585.db2.gz PTNORJAMKHUHDF-DHDCSXOGSA-N 1 2 355.467 2.995 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1nc(C)sc1C ZINC001024661556 742733250 /nfs/dbraw/zinc/73/32/50/742733250.db2.gz ILHVBOFCICJNBB-JZXOWHBKSA-N 1 2 363.527 2.822 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nc(C)sc1C ZINC001024661556 742733256 /nfs/dbraw/zinc/73/32/56/742733256.db2.gz ILHVBOFCICJNBB-JZXOWHBKSA-N 1 2 363.527 2.822 20 30 FFEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001031768169 742847397 /nfs/dbraw/zinc/84/73/97/742847397.db2.gz YLEPMUHGSGCQLZ-RBUKOAKNSA-N 1 2 351.475 2.971 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2nc(C)sc2C)C1 ZINC001033498450 742894918 /nfs/dbraw/zinc/89/49/18/742894918.db2.gz YCPHMQJPGISPSF-RYRKJORJSA-N 1 2 363.527 2.774 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001033498450 742894924 /nfs/dbraw/zinc/89/49/24/742894924.db2.gz YCPHMQJPGISPSF-RYRKJORJSA-N 1 2 363.527 2.774 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001039441150 742992082 /nfs/dbraw/zinc/99/20/82/742992082.db2.gz QDFCIVDTMJYLIR-JKJDWNRSSA-N 1 2 369.303 2.528 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001039441150 742992088 /nfs/dbraw/zinc/99/20/88/742992088.db2.gz QDFCIVDTMJYLIR-JKJDWNRSSA-N 1 2 369.303 2.528 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(Br)cc3O)CC2)c1 ZINC000824548202 743102601 /nfs/dbraw/zinc/10/26/01/743102601.db2.gz JULJTFMRTXOFFU-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC(C)C)C2)CC1 ZINC001052089848 743572950 /nfs/dbraw/zinc/57/29/50/743572950.db2.gz UKGRZGCRIHSXIB-KZNAEPCWSA-N 1 2 353.938 2.640 20 30 FFEDLO C#C[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000836411925 746216083 /nfs/dbraw/zinc/21/60/83/746216083.db2.gz XRRKSUIVSFJMTC-GJZGRUSLSA-N 1 2 373.254 2.634 20 30 FFEDLO Cc1ccc(-n2c(Cl)c(C=[NH+]N3CCC[C@H]3CO)nc2N(C)C)cc1 ZINC000841661702 747425759 /nfs/dbraw/zinc/42/57/59/747425759.db2.gz JGWQBBJIIVUYHE-HNNXBMFYSA-N 1 2 361.877 2.691 20 30 FFEDLO C=C(C)CONC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000845603358 748290727 /nfs/dbraw/zinc/29/07/27/748290727.db2.gz JFLALNQQDIHFPE-JKSUJKDBSA-N 1 2 353.850 2.519 20 30 FFEDLO C=C(C)CONC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000845603358 748290729 /nfs/dbraw/zinc/29/07/29/748290729.db2.gz JFLALNQQDIHFPE-JKSUJKDBSA-N 1 2 353.850 2.519 20 30 FFEDLO C#C[C@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000847027034 748601477 /nfs/dbraw/zinc/60/14/77/748601477.db2.gz RMRQJMWQLOYNOH-ZDUSSCGKSA-N 1 2 356.285 2.568 20 30 FFEDLO C#C[C@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000847027034 748601484 /nfs/dbraw/zinc/60/14/84/748601484.db2.gz RMRQJMWQLOYNOH-ZDUSSCGKSA-N 1 2 356.285 2.568 20 30 FFEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000849283192 749087006 /nfs/dbraw/zinc/08/70/06/749087006.db2.gz ZBTASCFOWLEAJH-NEPJUHHUSA-N 1 2 352.891 2.607 20 30 FFEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000849283192 749087015 /nfs/dbraw/zinc/08/70/15/749087015.db2.gz ZBTASCFOWLEAJH-NEPJUHHUSA-N 1 2 352.891 2.607 20 30 FFEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H](O)c2ccccn2)CC1 ZINC000851999595 749748057 /nfs/dbraw/zinc/74/80/57/749748057.db2.gz NFMXFEAPVSUINI-OALUTQOASA-N 1 2 356.857 2.651 20 30 FFEDLO C=CC[N@H+](CN1C[C@H](c2cc(F)c(F)c(F)c2)CC1=O)[C@@H](C)COC ZINC000853534817 750086589 /nfs/dbraw/zinc/08/65/89/750086589.db2.gz MUQSOSPYXTUZAJ-GXTWGEPZSA-N 1 2 356.388 2.900 20 30 FFEDLO C=CC[N@@H+](CN1C[C@H](c2cc(F)c(F)c(F)c2)CC1=O)[C@@H](C)COC ZINC000853534817 750086593 /nfs/dbraw/zinc/08/65/93/750086593.db2.gz MUQSOSPYXTUZAJ-GXTWGEPZSA-N 1 2 356.388 2.900 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104837633 970970640 /nfs/dbraw/zinc/97/06/40/970970640.db2.gz QQFYRWCDKSCCGZ-OIISXLGYSA-N 1 2 358.486 2.902 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(F)ccc2F)c1 ZINC001095282472 1013077193 /nfs/dbraw/zinc/07/71/93/1013077193.db2.gz YCMWVEFTOIQKMI-HFTRVMKXSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(F)ccc2F)c1 ZINC001095282472 1013077201 /nfs/dbraw/zinc/07/72/01/1013077201.db2.gz YCMWVEFTOIQKMI-HFTRVMKXSA-N 1 2 356.376 2.700 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)NCC#C[C@H]1CCCCO1)c1ccccc1 ZINC000893320409 971583291 /nfs/dbraw/zinc/58/32/91/971583291.db2.gz ZCGMWHPPIAMCCF-RTBURBONSA-N 1 2 366.465 2.576 20 30 FFEDLO Cn1cc[nH+]c1C[C@H](NC(=O)NCC#C[C@@H]1CCCCO1)c1ccccc1 ZINC000893320405 971583402 /nfs/dbraw/zinc/58/34/02/971583402.db2.gz ZCGMWHPPIAMCCF-OALUTQOASA-N 1 2 366.465 2.576 20 30 FFEDLO CC[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(OC)c1OC ZINC000871919315 1013114179 /nfs/dbraw/zinc/11/41/79/1013114179.db2.gz KYIDUMQCUJNTPT-WMZOPIPTSA-N 1 2 353.422 2.843 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C[C@H]21 ZINC000974720082 972141683 /nfs/dbraw/zinc/14/16/83/972141683.db2.gz QUABFIOEKDKASQ-NVXWUHKLSA-N 1 2 366.465 2.610 20 30 FFEDLO C=CCN(CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C(=O)OCC ZINC001209017906 959912213 /nfs/dbraw/zinc/91/22/13/959912213.db2.gz YQMYOAZOJCRXJK-OAHLLOKOSA-N 1 2 355.479 2.572 20 30 FFEDLO C=CCN(CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C(=O)OCC ZINC001209017906 959912218 /nfs/dbraw/zinc/91/22/18/959912218.db2.gz YQMYOAZOJCRXJK-OAHLLOKOSA-N 1 2 355.479 2.572 20 30 FFEDLO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)cc(C#N)c1 ZINC001276005150 1013275873 /nfs/dbraw/zinc/27/58/73/1013275873.db2.gz MRRUDKYLSVFUIA-VLIAUNLRSA-N 1 2 357.429 2.632 20 30 FFEDLO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)cc(C#N)c1 ZINC001276005150 1013275877 /nfs/dbraw/zinc/27/58/77/1013275877.db2.gz MRRUDKYLSVFUIA-VLIAUNLRSA-N 1 2 357.429 2.632 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3nc(Br)cs3)C2)C1=O ZINC001276014286 1013286253 /nfs/dbraw/zinc/28/62/53/1013286253.db2.gz HIMSZMKSWRVZFE-OAHLLOKOSA-N 1 2 370.316 2.906 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CC[N@@H+](Cc3nc(Br)cs3)C2)C1=O ZINC001276014286 1013286259 /nfs/dbraw/zinc/28/62/59/1013286259.db2.gz HIMSZMKSWRVZFE-OAHLLOKOSA-N 1 2 370.316 2.906 20 30 FFEDLO CCCCc1noc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C#CC2CC2)n1 ZINC001087164239 964362508 /nfs/dbraw/zinc/36/25/08/964362508.db2.gz OTBJHNIHTZUPJN-WBVHZDCISA-N 1 2 358.486 2.542 20 30 FFEDLO COCCOc1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)o1 ZINC000891705874 964907553 /nfs/dbraw/zinc/90/75/53/964907553.db2.gz KUIYPLGQJIPRQA-UHFFFAOYSA-N 1 2 359.401 2.638 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnc(C)cn2)CCCCC1 ZINC001111483537 964962255 /nfs/dbraw/zinc/96/22/55/964962255.db2.gz HPBAVTPWCPWHQK-AQNXPRMDSA-N 1 2 366.509 2.980 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnc(C)cn2)CCCCC1 ZINC001111483537 964962261 /nfs/dbraw/zinc/96/22/61/964962261.db2.gz HPBAVTPWCPWHQK-AQNXPRMDSA-N 1 2 366.509 2.980 20 30 FFEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000178327100 965083326 /nfs/dbraw/zinc/08/33/26/965083326.db2.gz IBNYNXVJHKEDCM-UXHICEINSA-N 1 2 352.434 2.698 20 30 FFEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000178327100 965083337 /nfs/dbraw/zinc/08/33/37/965083337.db2.gz IBNYNXVJHKEDCM-UXHICEINSA-N 1 2 352.434 2.698 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2coc(CCC)n2)C1 ZINC001087469196 965291484 /nfs/dbraw/zinc/29/14/84/965291484.db2.gz PAGDPVMDBKCEMG-QZTJIDSGSA-N 1 2 369.440 2.987 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2coc(CCC)n2)C1 ZINC001087469196 965291496 /nfs/dbraw/zinc/29/14/96/965291496.db2.gz PAGDPVMDBKCEMG-QZTJIDSGSA-N 1 2 369.440 2.987 20 30 FFEDLO N#Cc1ccc([C@@H]2CN(C(=O)NCCCNc3cccc[nH+]3)CCO2)cc1 ZINC000891974434 965664858 /nfs/dbraw/zinc/66/48/58/965664858.db2.gz IRPQZEFABBLFRE-SFHVURJKSA-N 1 2 365.437 2.538 20 30 FFEDLO O=C([C@H]1CC1(F)F)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075767459 965900539 /nfs/dbraw/zinc/90/05/39/965900539.db2.gz XJPSZYQRXKZKIF-ZMSDIMECSA-N 1 2 364.823 2.879 20 30 FFEDLO O=C([C@H]1CC1(F)F)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075767459 965900548 /nfs/dbraw/zinc/90/05/48/965900548.db2.gz XJPSZYQRXKZKIF-ZMSDIMECSA-N 1 2 364.823 2.879 20 30 FFEDLO C=CCCn1cc(C[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)nn1 ZINC000657317911 966139008 /nfs/dbraw/zinc/13/90/08/966139008.db2.gz FVQPLOZOYIWGGQ-UHFFFAOYSA-N 1 2 365.437 2.667 20 30 FFEDLO C#C[C@H](NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000773553955 1013645224 /nfs/dbraw/zinc/64/52/24/1013645224.db2.gz DEHKHUUMCIRHKS-OALUTQOASA-N 1 2 370.497 2.510 20 30 FFEDLO C=CCCn1cc(CN[C@@H](CC)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nn1 ZINC000657400154 966404183 /nfs/dbraw/zinc/40/41/83/966404183.db2.gz WNAXPICCTBCBJC-SFTDATJTSA-N 1 2 369.513 2.623 20 30 FFEDLO C=CCCn1cc(CN[C@@H](CC)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1 ZINC000657400154 966404185 /nfs/dbraw/zinc/40/41/85/966404185.db2.gz WNAXPICCTBCBJC-SFTDATJTSA-N 1 2 369.513 2.623 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2C[NH2+]CC2(C#N)CCC2)C1 ZINC000894967269 967128815 /nfs/dbraw/zinc/12/88/15/967128815.db2.gz SCKCIHYUPSCLSM-OAHLLOKOSA-N 1 2 374.489 2.634 20 30 FFEDLO CC[C@@H](CO)Nc1cc(N2CCC(Oc3ccc(C#N)cc3)CC2)nc[nH+]1 ZINC000892326250 967218173 /nfs/dbraw/zinc/21/81/73/967218173.db2.gz WHYXRAHVSJSXPH-INIZCTEOSA-N 1 2 367.453 2.579 20 30 FFEDLO CC[C@@H](CO)Nc1cc(N2CCC(Oc3ccc(C#N)cc3)CC2)[nH+]cn1 ZINC000892326250 967218182 /nfs/dbraw/zinc/21/81/82/967218182.db2.gz WHYXRAHVSJSXPH-INIZCTEOSA-N 1 2 367.453 2.579 20 30 FFEDLO C[N@H+](Cc1ccccc1)[C@@H](CO)c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001211570943 967346250 /nfs/dbraw/zinc/34/62/50/967346250.db2.gz KJIHASOQXVVRRJ-KRWDZBQOSA-N 1 2 352.369 2.913 20 30 FFEDLO C[N@@H+](Cc1ccccc1)[C@@H](CO)c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001211570943 967346258 /nfs/dbraw/zinc/34/62/58/967346258.db2.gz KJIHASOQXVVRRJ-KRWDZBQOSA-N 1 2 352.369 2.913 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)c2nnc(C)[nH]2)C1 ZINC001112156964 967428635 /nfs/dbraw/zinc/42/86/35/967428635.db2.gz KEIZJPXDBYPJFN-RAIGVLPGSA-N 1 2 359.396 2.509 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccccc2O)[C@H]1CC ZINC001087506943 967446129 /nfs/dbraw/zinc/44/61/29/967446129.db2.gz WANBIMJILMMGDW-UONOGXRCSA-N 1 2 353.260 2.884 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2O)[C@H]1CC ZINC001087506943 967446137 /nfs/dbraw/zinc/44/61/37/967446137.db2.gz WANBIMJILMMGDW-UONOGXRCSA-N 1 2 353.260 2.884 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cn(C)nc2C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087520961 967614726 /nfs/dbraw/zinc/61/47/26/967614726.db2.gz FALSVVKALQPDDA-RBUKOAKNSA-N 1 2 369.444 2.522 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cn(C)nc2C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087520961 967614736 /nfs/dbraw/zinc/61/47/36/967614736.db2.gz FALSVVKALQPDDA-RBUKOAKNSA-N 1 2 369.444 2.522 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029312093 967685909 /nfs/dbraw/zinc/68/59/09/967685909.db2.gz QAIGGCPRQVZPGH-MHTWAQMVSA-N 1 2 365.477 2.715 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029312093 967685915 /nfs/dbraw/zinc/68/59/15/967685915.db2.gz QAIGGCPRQVZPGH-MHTWAQMVSA-N 1 2 365.477 2.715 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccn(C(C)C)n2)[C@@H]1CC ZINC001087576693 968223979 /nfs/dbraw/zinc/22/39/79/968223979.db2.gz XLWPEFSKJDHYIY-WCIQWLHISA-N 1 2 374.529 2.914 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)[C@@H]1CC ZINC001087576693 968223986 /nfs/dbraw/zinc/22/39/86/968223986.db2.gz XLWPEFSKJDHYIY-WCIQWLHISA-N 1 2 374.529 2.914 20 30 FFEDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cc2n(n1)CCCO2 ZINC000329873255 968307752 /nfs/dbraw/zinc/30/77/52/968307752.db2.gz DRZWXYRSNYIREN-UHFFFAOYSA-N 1 2 355.442 2.946 20 30 FFEDLO CCc1n[nH]cc1C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001087637014 968443945 /nfs/dbraw/zinc/44/39/45/968443945.db2.gz UTFXSPJPSLKRDZ-RBUKOAKNSA-N 1 2 369.444 2.766 20 30 FFEDLO CCc1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001087637014 968443951 /nfs/dbraw/zinc/44/39/51/968443951.db2.gz UTFXSPJPSLKRDZ-RBUKOAKNSA-N 1 2 369.444 2.766 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncoc2[C@@H]2CCCO2)[C@H]1CC ZINC001087686032 968603009 /nfs/dbraw/zinc/60/30/09/968603009.db2.gz KUUQLGNQFQHZLX-MJBXVCDLSA-N 1 2 353.850 2.861 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncoc2[C@@H]2CCCO2)[C@H]1CC ZINC001087686032 968603016 /nfs/dbraw/zinc/60/30/16/968603016.db2.gz KUUQLGNQFQHZLX-MJBXVCDLSA-N 1 2 353.850 2.861 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ncnn3C(C)(C)C)[C@@H]2CC)C1 ZINC001087714917 968706034 /nfs/dbraw/zinc/70/60/34/968706034.db2.gz KHANANLQLDQSQZ-JKSUJKDBSA-N 1 2 359.518 2.859 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ncnn3C(C)(C)C)[C@@H]2CC)C1 ZINC001087714917 968706043 /nfs/dbraw/zinc/70/60/43/968706043.db2.gz KHANANLQLDQSQZ-JKSUJKDBSA-N 1 2 359.518 2.859 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)/C=C/c3ccco3)[C@@H]2C1 ZINC001075497996 969130273 /nfs/dbraw/zinc/13/02/73/969130273.db2.gz PTNYLBGFXSHFIE-GMOCUTOCSA-N 1 2 351.244 2.734 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)/C=C/c3ccco3)[C@@H]2C1 ZINC001075497996 969130279 /nfs/dbraw/zinc/13/02/79/969130279.db2.gz PTNYLBGFXSHFIE-GMOCUTOCSA-N 1 2 351.244 2.734 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC001024668043 969244391 /nfs/dbraw/zinc/24/43/91/969244391.db2.gz QBUBMYUSVZXKGO-MLYOOKFZSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC001024668043 969244399 /nfs/dbraw/zinc/24/43/99/969244399.db2.gz QBUBMYUSVZXKGO-MLYOOKFZSA-N 1 2 371.456 2.736 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nc(C)c(C)o1 ZINC001024707306 969267492 /nfs/dbraw/zinc/26/74/92/969267492.db2.gz KBWYXNYIGFLHJR-LNLFQRSKSA-N 1 2 361.486 2.743 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1nc(C)c(C)o1 ZINC001024707306 969267503 /nfs/dbraw/zinc/26/75/03/969267503.db2.gz KBWYXNYIGFLHJR-LNLFQRSKSA-N 1 2 361.486 2.743 20 30 FFEDLO C[C@H](Nc1ccc(OCC[NH+]2CCOCC2)nc1)c1cccc(C#N)c1 ZINC001167709673 969824469 /nfs/dbraw/zinc/82/44/69/969824469.db2.gz VNUVZXPBRZUIDT-INIZCTEOSA-N 1 2 352.438 2.837 20 30 FFEDLO N#CCCn1cc(C[N@@H+]2CCn3nc(C4CC4)cc3C2)c(-c2ccncc2)n1 ZINC000896939935 973061786 /nfs/dbraw/zinc/06/17/86/973061786.db2.gz PDUCKBAAXUZIHV-UHFFFAOYSA-N 1 2 373.464 2.948 20 30 FFEDLO N#CCCn1cc(C[N@H+]2CCn3nc(C4CC4)cc3C2)c(-c2ccncc2)n1 ZINC000896939935 973061796 /nfs/dbraw/zinc/06/17/96/973061796.db2.gz PDUCKBAAXUZIHV-UHFFFAOYSA-N 1 2 373.464 2.948 20 30 FFEDLO C#CC[C@H](COC)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000875927752 1014096168 /nfs/dbraw/zinc/09/61/68/1014096168.db2.gz HLDPDOSYMAOSSO-GOSISDBHSA-N 1 2 374.872 2.787 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](C/C(Cl)=C\Cl)CC[C@@H]3C2)nc1 ZINC001088174074 973510022 /nfs/dbraw/zinc/51/00/22/973510022.db2.gz GOULTJYVZYGINN-GISMTJLYSA-N 1 2 364.276 2.776 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C/C(Cl)=C\Cl)CC[C@@H]3C2)nc1 ZINC001088174074 973510029 /nfs/dbraw/zinc/51/00/29/973510029.db2.gz GOULTJYVZYGINN-GISMTJLYSA-N 1 2 364.276 2.776 20 30 FFEDLO O=C(c1ccns1)N1CC[C@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001075846250 973691655 /nfs/dbraw/zinc/69/16/55/973691655.db2.gz YJULAFYWOCNFGJ-DOTOQJQBSA-N 1 2 371.893 2.995 20 30 FFEDLO O=C(c1ccns1)N1CC[C@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001075846250 973691662 /nfs/dbraw/zinc/69/16/62/973691662.db2.gz YJULAFYWOCNFGJ-DOTOQJQBSA-N 1 2 371.893 2.995 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2CC)CC1 ZINC000985412209 974003411 /nfs/dbraw/zinc/00/34/11/974003411.db2.gz LZWPNSQXSCHWPE-DLBZAZTESA-N 1 2 358.486 2.584 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC001075864134 974356676 /nfs/dbraw/zinc/35/66/76/974356676.db2.gz YJBWUGIIYFDTFD-FRRDWIJNSA-N 1 2 363.246 2.863 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC001075864134 974356685 /nfs/dbraw/zinc/35/66/85/974356685.db2.gz YJBWUGIIYFDTFD-FRRDWIJNSA-N 1 2 363.246 2.863 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1oc(C)nc1C)c1ccccc1 ZINC001481371240 974502336 /nfs/dbraw/zinc/50/23/36/974502336.db2.gz TYJTUYWNHIXTOD-QRVBRYPASA-N 1 2 369.465 2.830 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2nc(C)c(C)o2)CC1(C)C ZINC000977322999 974743101 /nfs/dbraw/zinc/74/31/01/974743101.db2.gz DFJBXCDVBCXQHQ-JZXOWHBKSA-N 1 2 361.486 2.599 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)c(C)o2)CC1(C)C ZINC000977322999 974743106 /nfs/dbraw/zinc/74/31/06/974743106.db2.gz DFJBXCDVBCXQHQ-JZXOWHBKSA-N 1 2 361.486 2.599 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC001167784637 974941123 /nfs/dbraw/zinc/94/11/23/974941123.db2.gz JPEIPOFSLFUVDJ-ZACQAIPSSA-N 1 2 353.388 2.979 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)on2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088778739 976136820 /nfs/dbraw/zinc/13/68/20/976136820.db2.gz SESIPUMDULQGHM-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)on2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088778739 976136826 /nfs/dbraw/zinc/13/68/26/976136826.db2.gz SESIPUMDULQGHM-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO O=C([C@@H]1C[C@H]1c1ccncc1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981190671 976329023 /nfs/dbraw/zinc/32/90/23/976329023.db2.gz DUTOZWFYGZQNCR-FCHUYYIVSA-N 1 2 359.473 2.771 20 30 FFEDLO O=C([C@@H]1C[C@H]1c1ccncc1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981190671 976329045 /nfs/dbraw/zinc/32/90/45/976329045.db2.gz DUTOZWFYGZQNCR-FCHUYYIVSA-N 1 2 359.473 2.771 20 30 FFEDLO Cc1ncc(C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)s1 ZINC001075604021 976973421 /nfs/dbraw/zinc/97/34/21/976973421.db2.gz UMWMEEBNGYDUJC-FUHWJXTLSA-N 1 2 369.465 2.789 20 30 FFEDLO Cc1ncc(C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)s1 ZINC001075604021 976973431 /nfs/dbraw/zinc/97/34/31/976973431.db2.gz UMWMEEBNGYDUJC-FUHWJXTLSA-N 1 2 369.465 2.789 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1nc(C)oc1C ZINC001028192416 977079941 /nfs/dbraw/zinc/07/99/41/977079941.db2.gz JMDOTGWIFKXNTP-LNLFQRSKSA-N 1 2 361.486 2.743 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1nc(C)oc1C ZINC001028192416 977079950 /nfs/dbraw/zinc/07/99/50/977079950.db2.gz JMDOTGWIFKXNTP-LNLFQRSKSA-N 1 2 361.486 2.743 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccn(C(C)C)n1 ZINC001028195088 977093710 /nfs/dbraw/zinc/09/37/10/977093710.db2.gz IPNCRZFTGJTHGC-QYZOEREBSA-N 1 2 360.502 2.526 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccn(C(C)C)n1 ZINC001028195088 977093717 /nfs/dbraw/zinc/09/37/17/977093717.db2.gz IPNCRZFTGJTHGC-QYZOEREBSA-N 1 2 360.502 2.526 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CC3(C2)CCC[N@H+](Cc2cc(F)ccc2C#N)C3)O1 ZINC000982027708 977155208 /nfs/dbraw/zinc/15/52/08/977155208.db2.gz XPFKUVRKMJSLGA-DNVCBOLYSA-N 1 2 371.456 2.689 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CC3(C2)CCC[N@@H+](Cc2cc(F)ccc2C#N)C3)O1 ZINC000982027708 977155214 /nfs/dbraw/zinc/15/52/14/977155214.db2.gz XPFKUVRKMJSLGA-DNVCBOLYSA-N 1 2 371.456 2.689 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(-c4ccccc4)o3)C[C@H]21 ZINC001075616509 977323974 /nfs/dbraw/zinc/32/39/74/977323974.db2.gz VOARWLCFVCLLQJ-HYVNUMGLSA-N 1 2 350.422 2.534 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(-c4ccccc4)o3)C[C@H]21 ZINC001075616509 977323982 /nfs/dbraw/zinc/32/39/82/977323982.db2.gz VOARWLCFVCLLQJ-HYVNUMGLSA-N 1 2 350.422 2.534 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cccc(C)n2)C1 ZINC001087452814 977711977 /nfs/dbraw/zinc/71/19/77/977711977.db2.gz MZQVBSRMEHKBBW-UYAOXDASSA-N 1 2 351.425 2.750 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cccc(C)n2)C1 ZINC001087452814 977711986 /nfs/dbraw/zinc/71/19/86/977711986.db2.gz MZQVBSRMEHKBBW-UYAOXDASSA-N 1 2 351.425 2.750 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC001087453726 977755044 /nfs/dbraw/zinc/75/50/44/977755044.db2.gz HYXRZNJXJZKHPY-QZTJIDSGSA-N 1 2 355.413 2.652 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC001087453726 977755049 /nfs/dbraw/zinc/75/50/49/977755049.db2.gz HYXRZNJXJZKHPY-QZTJIDSGSA-N 1 2 355.413 2.652 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001087455822 977784367 /nfs/dbraw/zinc/78/43/67/977784367.db2.gz OYUCFYFNOROSFP-QZTJIDSGSA-N 1 2 367.424 2.912 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001087455822 977784374 /nfs/dbraw/zinc/78/43/74/977784374.db2.gz OYUCFYFNOROSFP-QZTJIDSGSA-N 1 2 367.424 2.912 20 30 FFEDLO C[C@@H](c1cccc(NC(=O)COc2cccc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000729409529 978278930 /nfs/dbraw/zinc/27/89/30/978278930.db2.gz IMEPLGUKAABFCS-INIZCTEOSA-N 1 2 365.433 2.969 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001087465290 978325749 /nfs/dbraw/zinc/32/57/49/978325749.db2.gz GPKMCXHLQPIPMN-QZTJIDSGSA-N 1 2 367.424 2.912 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001087465290 978325756 /nfs/dbraw/zinc/32/57/56/978325756.db2.gz GPKMCXHLQPIPMN-QZTJIDSGSA-N 1 2 367.424 2.912 20 30 FFEDLO N#Cc1c(F)cccc1NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001060103336 979170040 /nfs/dbraw/zinc/17/00/40/979170040.db2.gz UTCHMSXQLYGKRI-RRFJBIMHSA-N 1 2 367.428 2.875 20 30 FFEDLO N#Cc1c(F)cccc1NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001060103336 979170046 /nfs/dbraw/zinc/17/00/46/979170046.db2.gz UTCHMSXQLYGKRI-RRFJBIMHSA-N 1 2 367.428 2.875 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C2CCOCC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088443526 979535392 /nfs/dbraw/zinc/53/53/92/979535392.db2.gz IDSYXWIWGUISHG-BEFAXECRSA-N 1 2 360.885 2.697 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C2CCOCC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088443526 979535400 /nfs/dbraw/zinc/53/54/00/979535400.db2.gz IDSYXWIWGUISHG-BEFAXECRSA-N 1 2 360.885 2.697 20 30 FFEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4[nH]nc5ccccc54)[C@@H]3C2)c1 ZINC001076524091 979615169 /nfs/dbraw/zinc/61/51/69/979615169.db2.gz ZHNOBUWJRCXPNW-FXAWDEMLSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4[nH]nc5ccccc54)[C@@H]3C2)c1 ZINC001076524091 979615175 /nfs/dbraw/zinc/61/51/75/979615175.db2.gz ZHNOBUWJRCXPNW-FXAWDEMLSA-N 1 2 371.444 2.781 20 30 FFEDLO N#CCOc1ccc(C[N@H+]2CC[C@H](S(=O)(=O)c3ccccc3)C2)cc1 ZINC001137120360 1014593366 /nfs/dbraw/zinc/59/33/66/1014593366.db2.gz HSCACDKZXLFKNT-IBGZPJMESA-N 1 2 356.447 2.637 20 30 FFEDLO N#CCOc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)c3ccccc3)C2)cc1 ZINC001137120360 1014593374 /nfs/dbraw/zinc/59/33/74/1014593374.db2.gz HSCACDKZXLFKNT-IBGZPJMESA-N 1 2 356.447 2.637 20 30 FFEDLO C=CCCC1(C(=O)NCC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001059854455 980983032 /nfs/dbraw/zinc/98/30/32/980983032.db2.gz IIZXAVDZAGQZCN-GVDBMIGSSA-N 1 2 370.497 2.614 20 30 FFEDLO C=CCCC1(C(=O)NCC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001059854455 980983036 /nfs/dbraw/zinc/98/30/36/980983036.db2.gz IIZXAVDZAGQZCN-GVDBMIGSSA-N 1 2 370.497 2.614 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNCc3cc(C#N)cnc3Cl)C2)c1 ZINC000877733549 1014702646 /nfs/dbraw/zinc/70/26/46/1014702646.db2.gz VQVDUOJGDQDPLO-LJQANCHMSA-N 1 2 370.884 2.906 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNCc3cc(C#N)cnc3Cl)C2)c1 ZINC000877733549 1014702660 /nfs/dbraw/zinc/70/26/60/1014702660.db2.gz VQVDUOJGDQDPLO-LJQANCHMSA-N 1 2 370.884 2.906 20 30 FFEDLO C#Cc1ccc(C(=O)Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000907583875 981268104 /nfs/dbraw/zinc/26/81/04/981268104.db2.gz PQMYJLOFHIFBGJ-UHFFFAOYSA-N 1 2 361.445 2.584 20 30 FFEDLO C=CCCC[C@@H](NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000897489573 981296410 /nfs/dbraw/zinc/29/64/10/981296410.db2.gz HXDXNNAEXKTQKA-SJLPKXTDSA-N 1 2 354.454 2.602 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[NH+]1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000877926339 1014768900 /nfs/dbraw/zinc/76/89/00/1014768900.db2.gz NEXKQDYKABTNTF-QFIPXVFZSA-N 1 2 362.477 2.640 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)no2)[C@@H]1C ZINC001088671882 982272287 /nfs/dbraw/zinc/27/22/87/982272287.db2.gz ANMOQOMDGSCVMP-PBHICJAKSA-N 1 2 371.437 2.641 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)no2)[C@@H]1C ZINC001088671882 982272291 /nfs/dbraw/zinc/27/22/91/982272291.db2.gz ANMOQOMDGSCVMP-PBHICJAKSA-N 1 2 371.437 2.641 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000760355295 982374138 /nfs/dbraw/zinc/37/41/38/982374138.db2.gz KHKMWZFYYQEUMY-GOSISDBHSA-N 1 2 353.422 2.523 20 30 FFEDLO CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nn(C)cc1Cl)CC2 ZINC001107396549 984503447 /nfs/dbraw/zinc/50/34/47/984503447.db2.gz FLLXNAQLCKQOHB-IEBWSBKVSA-N 1 2 362.905 2.594 20 30 FFEDLO CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nn(C)cc1Cl)CC2 ZINC001107396549 984503450 /nfs/dbraw/zinc/50/34/50/984503450.db2.gz FLLXNAQLCKQOHB-IEBWSBKVSA-N 1 2 362.905 2.594 20 30 FFEDLO CCCc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)cc1 ZINC001077592703 984558625 /nfs/dbraw/zinc/55/86/25/984558625.db2.gz CDUKSPNVXMEHCB-RTBURBONSA-N 1 2 369.490 2.547 20 30 FFEDLO CCCc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)cc1 ZINC001077592703 984558628 /nfs/dbraw/zinc/55/86/28/984558628.db2.gz CDUKSPNVXMEHCB-RTBURBONSA-N 1 2 369.490 2.547 20 30 FFEDLO C=CCc1cc(CNC(=O)Cc2cn3c([nH+]2)CCCC3)cc(OC)c1OC ZINC000651207724 1015048416 /nfs/dbraw/zinc/04/84/16/1015048416.db2.gz WMBGTVHUXIXZIO-UHFFFAOYSA-N 1 2 369.465 2.824 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ccncc3Cl)[C@@H]2C)c1 ZINC001088846654 984978697 /nfs/dbraw/zinc/97/86/97/984978697.db2.gz ZLIHZONWTWNXTB-ACJLOTCBSA-N 1 2 354.841 2.504 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccncc3Cl)[C@@H]2C)c1 ZINC001088846654 984978701 /nfs/dbraw/zinc/97/87/01/984978701.db2.gz ZLIHZONWTWNXTB-ACJLOTCBSA-N 1 2 354.841 2.504 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ocnc2C2CC2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088856221 985036265 /nfs/dbraw/zinc/03/62/65/985036265.db2.gz BYSLJNFFKGEBLP-ABAIWWIYSA-N 1 2 356.451 2.878 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ocnc2C2CC2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088856221 985036278 /nfs/dbraw/zinc/03/62/78/985036278.db2.gz BYSLJNFFKGEBLP-ABAIWWIYSA-N 1 2 356.451 2.878 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC001107949749 985382715 /nfs/dbraw/zinc/38/27/15/985382715.db2.gz SKDAMDGGINLNIP-XQBPLPMBSA-N 1 2 354.494 2.657 20 30 FFEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC001107949749 985382724 /nfs/dbraw/zinc/38/27/24/985382724.db2.gz SKDAMDGGINLNIP-XQBPLPMBSA-N 1 2 354.494 2.657 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCO[C@H]2C(=C)C)[C@H]1C ZINC001088908502 985417766 /nfs/dbraw/zinc/41/77/66/985417766.db2.gz BJVKSTMCMQDMEG-UGUYLWEFSA-N 1 2 371.319 2.845 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCO[C@H]2C(=C)C)[C@H]1C ZINC001088908502 985417770 /nfs/dbraw/zinc/41/77/70/985417770.db2.gz BJVKSTMCMQDMEG-UGUYLWEFSA-N 1 2 371.319 2.845 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000669736717 985533697 /nfs/dbraw/zinc/53/36/97/985533697.db2.gz BHJPCZLTHPIHKE-UHFFFAOYSA-N 1 2 363.461 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3)[C@@H]2C)nc1 ZINC001088988013 985779535 /nfs/dbraw/zinc/77/95/35/985779535.db2.gz AJEHEGGZMRSBTO-ACJLOTCBSA-N 1 2 355.388 2.734 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)[C@@H]2C)nc1 ZINC001088988013 985779537 /nfs/dbraw/zinc/77/95/37/985779537.db2.gz AJEHEGGZMRSBTO-ACJLOTCBSA-N 1 2 355.388 2.734 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)no1 ZINC001088989486 985782665 /nfs/dbraw/zinc/78/26/65/985782665.db2.gz WTPJAFLIQJMLSL-PXAZEXFGSA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)no1 ZINC001088989486 985782672 /nfs/dbraw/zinc/78/26/72/985782672.db2.gz WTPJAFLIQJMLSL-PXAZEXFGSA-N 1 2 356.401 2.641 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2nc(C)oc2C)[C@@H]1C ZINC001089006371 985891064 /nfs/dbraw/zinc/89/10/64/985891064.db2.gz BJKWOEUPLQYOEZ-KUHUBIRLSA-N 1 2 351.450 2.594 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2nc(C)oc2C)[C@@H]1C ZINC001089006371 985891070 /nfs/dbraw/zinc/89/10/70/985891070.db2.gz BJKWOEUPLQYOEZ-KUHUBIRLSA-N 1 2 351.450 2.594 20 30 FFEDLO Cc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)c(Cl)nn1C ZINC001089009186 985927118 /nfs/dbraw/zinc/92/71/18/985927118.db2.gz XSOBSFSHMMDYDY-WBMJQRKESA-N 1 2 371.872 2.646 20 30 FFEDLO Cc1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)c(Cl)nn1C ZINC001089009186 985927125 /nfs/dbraw/zinc/92/71/25/985927125.db2.gz XSOBSFSHMMDYDY-WBMJQRKESA-N 1 2 371.872 2.646 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]2OC)CCC1 ZINC001212393561 986019671 /nfs/dbraw/zinc/01/96/71/986019671.db2.gz QYTFGOGKWUNYFW-QZTJIDSGSA-N 1 2 360.885 2.849 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]2OC)CCC1 ZINC001212393561 986019686 /nfs/dbraw/zinc/01/96/86/986019686.db2.gz QYTFGOGKWUNYFW-QZTJIDSGSA-N 1 2 360.885 2.849 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCCOC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001089044847 986092587 /nfs/dbraw/zinc/09/25/87/986092587.db2.gz QDYWVMNYOGUFPP-VCBZYWHSSA-N 1 2 359.445 2.593 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCCOC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001089044847 986092599 /nfs/dbraw/zinc/09/25/99/986092599.db2.gz QDYWVMNYOGUFPP-VCBZYWHSSA-N 1 2 359.445 2.593 20 30 FFEDLO CCc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)s1 ZINC001089071318 986199303 /nfs/dbraw/zinc/19/93/03/986199303.db2.gz YGRUQHPJHJIDCP-CJNGLKHVSA-N 1 2 354.479 2.970 20 30 FFEDLO CCc1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)s1 ZINC001089071318 986199308 /nfs/dbraw/zinc/19/93/08/986199308.db2.gz YGRUQHPJHJIDCP-CJNGLKHVSA-N 1 2 354.479 2.970 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000878774774 1015210732 /nfs/dbraw/zinc/21/07/32/1015210732.db2.gz VBUQLLYSAPIHKJ-FGTMMUONSA-N 1 2 369.513 2.532 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000878774774 1015210737 /nfs/dbraw/zinc/21/07/37/1015210737.db2.gz VBUQLLYSAPIHKJ-FGTMMUONSA-N 1 2 369.513 2.532 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1F ZINC001032673466 986430956 /nfs/dbraw/zinc/43/09/56/986430956.db2.gz SPBGGEWWBHIGAL-JPLJXNOCSA-N 1 2 358.457 2.982 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1F ZINC001032673466 986430960 /nfs/dbraw/zinc/43/09/60/986430960.db2.gz SPBGGEWWBHIGAL-JPLJXNOCSA-N 1 2 358.457 2.982 20 30 FFEDLO C/C(=C\C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F)C[NH+]1CCOCC1 ZINC000913782540 986910768 /nfs/dbraw/zinc/91/07/68/986910768.db2.gz WSOADNSVKCNYMV-JZUUQJBKSA-N 1 2 367.371 2.556 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001007528568 1015289118 /nfs/dbraw/zinc/28/91/18/1015289118.db2.gz FKPMXGWKKIAWPV-SUMDDJOVSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001007528568 1015289127 /nfs/dbraw/zinc/28/91/27/1015289127.db2.gz FKPMXGWKKIAWPV-SUMDDJOVSA-N 1 2 359.445 2.593 20 30 FFEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)c1nc(N2CCOCC2)cc[nH+]1 ZINC000672328728 987366112 /nfs/dbraw/zinc/36/61/12/987366112.db2.gz FLDGCEGHADSURG-UHFFFAOYSA-N 1 2 356.474 2.673 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001002846720 987530013 /nfs/dbraw/zinc/53/00/13/987530013.db2.gz JKMCJMIFAUFRTB-SJORKVTESA-N 1 2 361.486 2.860 20 30 FFEDLO NC(=[NH+]OC[C@@H]1CC2(CC2)C(=O)O1)c1ccc(OCc2ccccc2)cc1 ZINC000762212847 988213910 /nfs/dbraw/zinc/21/39/10/988213910.db2.gz XFUOFSZDEVWURX-SFHVURJKSA-N 1 2 366.417 2.998 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106608123 988485474 /nfs/dbraw/zinc/48/54/74/988485474.db2.gz HCCPOWCDWIALOU-SKDZVZGDSA-N 1 2 358.486 2.950 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106610552 988496723 /nfs/dbraw/zinc/49/67/23/988496723.db2.gz OHZAFBARFLYFFY-XKQJLSEDSA-N 1 2 358.486 2.950 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3[nH+]ccn31)C2 ZINC001004075033 988527997 /nfs/dbraw/zinc/52/79/97/988527997.db2.gz GRJNVFJMKCRXJI-OAGGEKHMSA-N 1 2 366.465 2.798 20 30 FFEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000922601716 988738991 /nfs/dbraw/zinc/73/89/91/988738991.db2.gz AUUMCMTUZWWBBH-OALUTQOASA-N 1 2 358.486 2.832 20 30 FFEDLO CCCc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)cc1 ZINC001083738378 988953256 /nfs/dbraw/zinc/95/32/56/988953256.db2.gz CDUKSPNVXMEHCB-MOPGFXCFSA-N 1 2 369.490 2.547 20 30 FFEDLO CCCc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)cc1 ZINC001083738378 988953261 /nfs/dbraw/zinc/95/32/61/988953261.db2.gz CDUKSPNVXMEHCB-MOPGFXCFSA-N 1 2 369.490 2.547 20 30 FFEDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccccc1F ZINC000763232891 989246933 /nfs/dbraw/zinc/24/69/33/989246933.db2.gz IMVGCAAPXMCHFC-RTBURBONSA-N 1 2 350.397 2.843 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000132814656 989325766 /nfs/dbraw/zinc/32/57/66/989325766.db2.gz NIMWLEJUZPZBCE-UXHICEINSA-N 1 2 357.404 2.881 20 30 FFEDLO CCCNC(=S)N[NH+]=Cc1c(C)nn(-c2ccccc2)c1N1CCCC1 ZINC000916357473 989781266 /nfs/dbraw/zinc/78/12/66/989781266.db2.gz SQJVJWXODQQJCO-UHFFFAOYSA-N 1 2 370.526 2.989 20 30 FFEDLO C[C@H](CCCCNc1ncccc1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001090168298 989837559 /nfs/dbraw/zinc/83/75/59/989837559.db2.gz AQIFDVUIYHTANT-FVQBIDKESA-N 1 2 352.442 2.567 20 30 FFEDLO C[C@H](CCCCNc1ncccc1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001090168298 989837566 /nfs/dbraw/zinc/83/75/66/989837566.db2.gz AQIFDVUIYHTANT-FVQBIDKESA-N 1 2 352.442 2.567 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001034403465 990059697 /nfs/dbraw/zinc/05/96/97/990059697.db2.gz GZNTXEJJSZFSSW-CCKFTAQKSA-N 1 2 359.445 2.593 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001034403465 990059701 /nfs/dbraw/zinc/05/97/01/990059701.db2.gz GZNTXEJJSZFSSW-CCKFTAQKSA-N 1 2 359.445 2.593 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2coc(C)n2)cc1 ZINC001034819148 990281978 /nfs/dbraw/zinc/28/19/78/990281978.db2.gz WPQORRLOUMQQKS-UXHICEINSA-N 1 2 369.465 2.870 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(C[NH2+]Cc2coc(C)n2)cc1 ZINC001034826688 990291281 /nfs/dbraw/zinc/29/12/81/990291281.db2.gz TWCBFVQHOQFTFR-PMACEKPBSA-N 1 2 369.465 2.870 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001060743786 990829731 /nfs/dbraw/zinc/82/97/31/990829731.db2.gz VSUILSJCCIXPJT-QBPKDAKJSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001060743786 990829738 /nfs/dbraw/zinc/82/97/38/990829738.db2.gz VSUILSJCCIXPJT-QBPKDAKJSA-N 1 2 358.486 2.661 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000920416458 990845821 /nfs/dbraw/zinc/84/58/21/990845821.db2.gz LTMVDRHKWCIXKJ-AYOQOUSVSA-N 1 2 362.433 2.867 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000920416458 990845822 /nfs/dbraw/zinc/84/58/22/990845822.db2.gz LTMVDRHKWCIXKJ-AYOQOUSVSA-N 1 2 362.433 2.867 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001005943715 990896494 /nfs/dbraw/zinc/89/64/94/990896494.db2.gz SXYVFZXDTDCXKS-ZACQAIPSSA-N 1 2 370.497 2.531 20 30 FFEDLO N#Cc1c(F)cccc1NC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001063577790 991509706 /nfs/dbraw/zinc/50/97/06/991509706.db2.gz MIWRSMCIAJDATL-MGPQQGTHSA-N 1 2 353.401 2.627 20 30 FFEDLO N#Cc1c(F)cccc1NC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001063577790 991509717 /nfs/dbraw/zinc/50/97/17/991509717.db2.gz MIWRSMCIAJDATL-MGPQQGTHSA-N 1 2 353.401 2.627 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001212321255 991673757 /nfs/dbraw/zinc/67/37/57/991673757.db2.gz YUVPWCKHOGSRHH-NHCUHLMSSA-N 1 2 370.468 2.761 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001212321255 991673762 /nfs/dbraw/zinc/67/37/62/991673762.db2.gz YUVPWCKHOGSRHH-NHCUHLMSSA-N 1 2 370.468 2.761 20 30 FFEDLO CCC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001212324781 991681696 /nfs/dbraw/zinc/68/16/96/991681696.db2.gz GODGFAVYJCAMBH-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO CCC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001212324781 991681699 /nfs/dbraw/zinc/68/16/99/991681699.db2.gz GODGFAVYJCAMBH-QZTJIDSGSA-N 1 2 361.461 2.839 20 30 FFEDLO CN(CCC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001484746221 991744351 /nfs/dbraw/zinc/74/43/51/991744351.db2.gz JOYKVZLSSNGGNN-IAGOWNOFSA-N 1 2 369.444 2.504 20 30 FFEDLO CN(CCC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001484746221 991744362 /nfs/dbraw/zinc/74/43/62/991744362.db2.gz JOYKVZLSSNGGNN-IAGOWNOFSA-N 1 2 369.444 2.504 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001079407467 992097271 /nfs/dbraw/zinc/09/72/71/992097271.db2.gz YYXSPCKBHWJUCU-FZKQIMNGSA-N 1 2 355.413 2.532 20 30 FFEDLO Cc1noc(C)c1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001079407467 992097279 /nfs/dbraw/zinc/09/72/79/992097279.db2.gz YYXSPCKBHWJUCU-FZKQIMNGSA-N 1 2 355.413 2.532 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]2C)[nH]n1 ZINC001079442017 992119328 /nfs/dbraw/zinc/11/93/28/992119328.db2.gz UYLONKDARBBTRP-AUUYWEPGSA-N 1 2 370.884 2.727 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]2C)[nH]n1 ZINC001079442017 992119332 /nfs/dbraw/zinc/11/93/32/992119332.db2.gz UYLONKDARBBTRP-AUUYWEPGSA-N 1 2 370.884 2.727 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001079476071 992138183 /nfs/dbraw/zinc/13/81/83/992138183.db2.gz NKUVZYLATFQLQJ-MLGOLLRUSA-N 1 2 370.478 2.582 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001079476071 992138186 /nfs/dbraw/zinc/13/81/86/992138186.db2.gz NKUVZYLATFQLQJ-MLGOLLRUSA-N 1 2 370.478 2.582 20 30 FFEDLO Cc1[nH]nc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]2C)c1C ZINC001079506857 992150379 /nfs/dbraw/zinc/15/03/79/992150379.db2.gz QFBJMOPYVJVLEK-FZKQIMNGSA-N 1 2 370.884 2.782 20 30 FFEDLO Cc1[nH]nc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]2C)c1C ZINC001079506857 992150381 /nfs/dbraw/zinc/15/03/81/992150381.db2.gz QFBJMOPYVJVLEK-FZKQIMNGSA-N 1 2 370.884 2.782 20 30 FFEDLO CCCc1nc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cs1 ZINC001079593912 992247121 /nfs/dbraw/zinc/24/71/21/992247121.db2.gz MQDVNIYWYVBLNA-MLGOLLRUSA-N 1 2 357.483 2.546 20 30 FFEDLO CCCc1nc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cs1 ZINC001079593912 992247126 /nfs/dbraw/zinc/24/71/26/992247126.db2.gz MQDVNIYWYVBLNA-MLGOLLRUSA-N 1 2 357.483 2.546 20 30 FFEDLO COc1cccc(F)c1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001079750994 992390753 /nfs/dbraw/zinc/39/07/53/992390753.db2.gz ADDDHKBBTMVSHX-RDTXWAMCSA-N 1 2 367.424 2.956 20 30 FFEDLO COc1cccc(F)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001079750994 992390761 /nfs/dbraw/zinc/39/07/61/992390761.db2.gz ADDDHKBBTMVSHX-RDTXWAMCSA-N 1 2 367.424 2.956 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)Nc3ccc(O)cc3)C[C@H]2C)CC1 ZINC001080384567 993002134 /nfs/dbraw/zinc/00/21/34/993002134.db2.gz DVZYIIHXZWSFEY-DNVCBOLYSA-N 1 2 371.481 2.514 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)Nc3ccc(O)cc3)C[C@H]2C)CC1 ZINC001080384567 993002138 /nfs/dbraw/zinc/00/21/38/993002138.db2.gz DVZYIIHXZWSFEY-DNVCBOLYSA-N 1 2 371.481 2.514 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)cs3)C[C@H]2C)cc1 ZINC001080575456 993182238 /nfs/dbraw/zinc/18/22/38/993182238.db2.gz XLSJCDHMWLHVFQ-RDTXWAMCSA-N 1 2 369.490 2.714 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)cs3)C[C@H]2C)cc1 ZINC001080575456 993182242 /nfs/dbraw/zinc/18/22/42/993182242.db2.gz XLSJCDHMWLHVFQ-RDTXWAMCSA-N 1 2 369.490 2.714 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001080588760 993195856 /nfs/dbraw/zinc/19/58/56/993195856.db2.gz XAMTXGLFJCPLCN-ASKNOMKYSA-N 1 2 373.497 2.860 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001080588760 993195862 /nfs/dbraw/zinc/19/58/62/993195862.db2.gz XAMTXGLFJCPLCN-ASKNOMKYSA-N 1 2 373.497 2.860 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1cc(Cl)no1 ZINC001080824129 993398637 /nfs/dbraw/zinc/39/86/37/993398637.db2.gz YRYWVVAUGCEHFI-QMTHXVAHSA-N 1 2 362.792 2.589 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1cc(Cl)no1 ZINC001080824129 993398638 /nfs/dbraw/zinc/39/86/38/993398638.db2.gz YRYWVVAUGCEHFI-QMTHXVAHSA-N 1 2 362.792 2.589 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1sccc1C ZINC001081290685 993787567 /nfs/dbraw/zinc/78/75/67/993787567.db2.gz DGXUQZLGBBQUAP-IAGOWNOFSA-N 1 2 355.463 2.557 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1sccc1C ZINC001081290685 993787578 /nfs/dbraw/zinc/78/75/78/993787578.db2.gz DGXUQZLGBBQUAP-IAGOWNOFSA-N 1 2 355.463 2.557 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001082144602 994205161 /nfs/dbraw/zinc/20/51/61/994205161.db2.gz AFCXTOKRQVJMGQ-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001082144602 994205173 /nfs/dbraw/zinc/20/51/73/994205173.db2.gz AFCXTOKRQVJMGQ-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C#Cc1ccc(CN2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000809785494 994612502 /nfs/dbraw/zinc/61/25/02/994612502.db2.gz VDCBZAIORZZBAE-FQEVSTJZSA-N 1 2 369.509 2.795 20 30 FFEDLO C=CCn1cccc1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]21 ZINC001083105971 996087410 /nfs/dbraw/zinc/08/74/10/996087410.db2.gz CMEMFMUSPBTONV-VQTJNVASSA-N 1 2 369.440 2.539 20 30 FFEDLO C=CCn1cccc1C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]21 ZINC001083105971 996087414 /nfs/dbraw/zinc/08/74/14/996087414.db2.gz CMEMFMUSPBTONV-VQTJNVASSA-N 1 2 369.440 2.539 20 30 FFEDLO CC1(C)CCC[C@@H](CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001083955684 996172886 /nfs/dbraw/zinc/17/28/86/996172886.db2.gz NGEFWOPHWHATJD-HBMCJLEFSA-N 1 2 368.521 2.806 20 30 FFEDLO CC1(C)CCC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001083955684 996172888 /nfs/dbraw/zinc/17/28/88/996172888.db2.gz NGEFWOPHWHATJD-HBMCJLEFSA-N 1 2 368.521 2.806 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)n1C ZINC001084187094 996319042 /nfs/dbraw/zinc/31/90/42/996319042.db2.gz BPQPAZJYBWWMOU-YLJYHZDGSA-N 1 2 366.440 2.691 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)n1C ZINC001084187094 996319056 /nfs/dbraw/zinc/31/90/56/996319056.db2.gz BPQPAZJYBWWMOU-YLJYHZDGSA-N 1 2 366.440 2.691 20 30 FFEDLO Cn1cccc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084193231 996326074 /nfs/dbraw/zinc/32/60/74/996326074.db2.gz BVCCIUJZILVBQA-YLJYHZDGSA-N 1 2 367.880 2.877 20 30 FFEDLO Cn1cccc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084193231 996326082 /nfs/dbraw/zinc/32/60/82/996326082.db2.gz BVCCIUJZILVBQA-YLJYHZDGSA-N 1 2 367.880 2.877 20 30 FFEDLO Cc1nc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)[C@@H]3C2)sc1C(C)(C)C ZINC001084231884 996381693 /nfs/dbraw/zinc/38/16/93/996381693.db2.gz NYDHBWSWDPWMLL-NWANDNLSSA-N 1 2 360.527 2.941 20 30 FFEDLO Cc1nc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)[C@@H]3C2)sc1C(C)(C)C ZINC001084231884 996381697 /nfs/dbraw/zinc/38/16/97/996381697.db2.gz NYDHBWSWDPWMLL-NWANDNLSSA-N 1 2 360.527 2.941 20 30 FFEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3ncc(-c4ccccc4)o3)C[C@H]21 ZINC001084232942 996382923 /nfs/dbraw/zinc/38/29/23/996382923.db2.gz NKEZZZLWPJAQSP-USXIJHARSA-N 1 2 350.422 2.534 20 30 FFEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3ncc(-c4ccccc4)o3)C[C@H]21 ZINC001084232942 996382927 /nfs/dbraw/zinc/38/29/27/996382927.db2.gz NKEZZZLWPJAQSP-USXIJHARSA-N 1 2 350.422 2.534 20 30 FFEDLO Cc1ncoc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084258589 996403589 /nfs/dbraw/zinc/40/35/89/996403589.db2.gz UJZQVHJURRTGME-SJLPKXTDSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1ncoc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084258589 996403593 /nfs/dbraw/zinc/40/35/93/996403593.db2.gz UJZQVHJURRTGME-SJLPKXTDSA-N 1 2 369.852 2.834 20 30 FFEDLO CC[C@@H](SC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084283632 996429269 /nfs/dbraw/zinc/42/92/69/996429269.db2.gz IDPZANGLAJIDOZ-KBAYOESNSA-N 1 2 361.486 2.872 20 30 FFEDLO CC[C@@H](SC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084283632 996429272 /nfs/dbraw/zinc/42/92/72/996429272.db2.gz IDPZANGLAJIDOZ-KBAYOESNSA-N 1 2 361.486 2.872 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)ns1 ZINC001084308993 996440645 /nfs/dbraw/zinc/44/06/45/996440645.db2.gz PNGIJLBHKWACII-MLGOLLRUSA-N 1 2 358.492 2.731 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)ns1 ZINC001084308993 996440648 /nfs/dbraw/zinc/44/06/48/996440648.db2.gz PNGIJLBHKWACII-MLGOLLRUSA-N 1 2 358.492 2.731 20 30 FFEDLO Cc1cc[nH]c1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084317304 996449116 /nfs/dbraw/zinc/44/91/16/996449116.db2.gz FPIODXYFGHVUIO-IEBWSBKVSA-N 1 2 351.425 2.660 20 30 FFEDLO Cc1cc[nH]c1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084317304 996449119 /nfs/dbraw/zinc/44/91/19/996449119.db2.gz FPIODXYFGHVUIO-IEBWSBKVSA-N 1 2 351.425 2.660 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC4(F)F)[C@@H]3C2)c(F)c1 ZINC001084440778 996593831 /nfs/dbraw/zinc/59/38/31/996593831.db2.gz YOIJBGWKFCPAKJ-HLLBOEOZSA-N 1 2 363.383 2.775 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC4(F)F)[C@@H]3C2)c(F)c1 ZINC001084440778 996593836 /nfs/dbraw/zinc/59/38/36/996593836.db2.gz YOIJBGWKFCPAKJ-HLLBOEOZSA-N 1 2 363.383 2.775 20 30 FFEDLO CC(C)c1n[nH]cc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084476759 996618465 /nfs/dbraw/zinc/61/84/65/996618465.db2.gz HAFWQOSVRVSSMS-UYAOXDASSA-N 1 2 362.477 2.731 20 30 FFEDLO CC(C)c1n[nH]cc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084476759 996618466 /nfs/dbraw/zinc/61/84/66/996618466.db2.gz HAFWQOSVRVSSMS-UYAOXDASSA-N 1 2 362.477 2.731 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+](Cc4nc5ccccc5n4C)C[C@H]32)C1 ZINC001084645192 996758108 /nfs/dbraw/zinc/75/81/08/996758108.db2.gz INKDJKFTZRBOQB-VQIMIIECSA-N 1 2 364.493 2.962 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](Cc4nc5ccccc5n4C)C[C@H]32)C1 ZINC001084645192 996758112 /nfs/dbraw/zinc/75/81/12/996758112.db2.gz INKDJKFTZRBOQB-VQIMIIECSA-N 1 2 364.493 2.962 20 30 FFEDLO CCc1ncoc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084648140 996760100 /nfs/dbraw/zinc/76/01/00/996760100.db2.gz XBKZGAYAVNURBU-VQIMIIECSA-N 1 2 367.424 2.574 20 30 FFEDLO CCc1ncoc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084648140 996760105 /nfs/dbraw/zinc/76/01/05/996760105.db2.gz XBKZGAYAVNURBU-VQIMIIECSA-N 1 2 367.424 2.574 20 30 FFEDLO Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(Cl)cc4)C[C@H]32)n1 ZINC001084712461 997031755 /nfs/dbraw/zinc/03/17/55/997031755.db2.gz IOSXWDLDPVKYRZ-SJLPKXTDSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(Cl)cc4)C[C@H]32)n1 ZINC001084712461 997031771 /nfs/dbraw/zinc/03/17/71/997031771.db2.gz IOSXWDLDPVKYRZ-SJLPKXTDSA-N 1 2 368.868 2.570 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N4CCCC4)nc3)[C@@H]2C1 ZINC001084724188 997068052 /nfs/dbraw/zinc/06/80/52/997068052.db2.gz RIDBNZXTPIHXPJ-IAGOWNOFSA-N 1 2 360.889 2.581 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(N4CCCC4)nc3)[C@@H]2C1 ZINC001084724188 997068061 /nfs/dbraw/zinc/06/80/61/997068061.db2.gz RIDBNZXTPIHXPJ-IAGOWNOFSA-N 1 2 360.889 2.581 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)c(C)o1 ZINC001084737241 997126025 /nfs/dbraw/zinc/12/60/25/997126025.db2.gz AINBHIRIBVWBAK-SJLPKXTDSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)c(C)o1 ZINC001084737241 997126028 /nfs/dbraw/zinc/12/60/28/997126028.db2.gz AINBHIRIBVWBAK-SJLPKXTDSA-N 1 2 368.412 2.649 20 30 FFEDLO COc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)o1 ZINC001084737207 997126078 /nfs/dbraw/zinc/12/60/78/997126078.db2.gz YYOBOAANCUTTKN-NVXWUHKLSA-N 1 2 369.396 2.645 20 30 FFEDLO COc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)o1 ZINC001084737207 997126082 /nfs/dbraw/zinc/12/60/82/997126082.db2.gz YYOBOAANCUTTKN-NVXWUHKLSA-N 1 2 369.396 2.645 20 30 FFEDLO COc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)o1 ZINC001084737169 997126129 /nfs/dbraw/zinc/12/61/29/997126129.db2.gz WOCPYALOBCAZSU-IAGOWNOFSA-N 1 2 351.406 2.506 20 30 FFEDLO COc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)o1 ZINC001084737169 997126133 /nfs/dbraw/zinc/12/61/33/997126133.db2.gz WOCPYALOBCAZSU-IAGOWNOFSA-N 1 2 351.406 2.506 20 30 FFEDLO N#CCSc1ccccc1C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000825104896 997198602 /nfs/dbraw/zinc/19/86/02/997198602.db2.gz DHZSAOUXALENGQ-UHFFFAOYSA-N 1 2 366.490 2.698 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(C(F)(F)F)c(OC)c2)CC1 ZINC001143352579 997417626 /nfs/dbraw/zinc/41/76/26/997417626.db2.gz VHBJLQPJJJFNKM-UHFFFAOYSA-N 1 2 356.344 2.993 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3nc(C)cc3C)[C@@H]2C1 ZINC001084832398 997584096 /nfs/dbraw/zinc/58/40/96/997584096.db2.gz DJSRRMDDPICKLY-GVDBMIGSSA-N 1 2 350.894 2.736 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3nc(C)cc3C)[C@@H]2C1 ZINC001084832398 997584101 /nfs/dbraw/zinc/58/41/01/997584101.db2.gz DJSRRMDDPICKLY-GVDBMIGSSA-N 1 2 350.894 2.736 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CCCOC4)[C@@H]3C2)c1 ZINC001084836749 997604157 /nfs/dbraw/zinc/60/41/57/997604157.db2.gz MMOKMMKQOGGUPV-MBOZVWFJSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CCCOC4)[C@@H]3C2)c1 ZINC001084836749 997604169 /nfs/dbraw/zinc/60/41/69/997604169.db2.gz MMOKMMKQOGGUPV-MBOZVWFJSA-N 1 2 371.456 2.547 20 30 FFEDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844331500 997790845 /nfs/dbraw/zinc/79/08/45/997790845.db2.gz YVIRWJHZDFLOIF-INIZCTEOSA-N 1 2 360.414 2.909 20 30 FFEDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844331500 997790858 /nfs/dbraw/zinc/79/08/58/997790858.db2.gz YVIRWJHZDFLOIF-INIZCTEOSA-N 1 2 360.414 2.909 20 30 FFEDLO CC[C@H](C#N)Oc1cc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)ccc1OC ZINC000844385528 997848213 /nfs/dbraw/zinc/84/82/13/997848213.db2.gz NEADMMVCNHPDGZ-GDBMZVCRSA-N 1 2 356.426 2.840 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@H]2OC)CCC1 ZINC001090940257 997887853 /nfs/dbraw/zinc/88/78/53/997887853.db2.gz AAGWGOBTHRHXGJ-IAGOWNOFSA-N 1 2 370.497 2.729 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC([C@H](O)C[N@@H+]2Cc3cccc(C#N)c3C2)CC1 ZINC000844472337 997926450 /nfs/dbraw/zinc/92/64/50/997926450.db2.gz OJGLSTMVBHKGTF-LJQANCHMSA-N 1 2 371.481 2.882 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC([C@H](O)C[N@H+]2Cc3cccc(C#N)c3C2)CC1 ZINC000844472337 997926456 /nfs/dbraw/zinc/92/64/56/997926456.db2.gz OJGLSTMVBHKGTF-LJQANCHMSA-N 1 2 371.481 2.882 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(F)nc3)C[C@@H]21 ZINC001084906400 997984939 /nfs/dbraw/zinc/98/49/39/997984939.db2.gz PKMIMZBFXIPJBH-OCCSQVGLSA-N 1 2 368.250 2.666 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(F)nc3)C[C@@H]21 ZINC001084906400 997984951 /nfs/dbraw/zinc/98/49/51/997984951.db2.gz PKMIMZBFXIPJBH-OCCSQVGLSA-N 1 2 368.250 2.666 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(F)cn3)C[C@@H]21 ZINC001084926150 998130139 /nfs/dbraw/zinc/13/01/39/998130139.db2.gz INRFRAUNJIVAAW-DOMZBBRYSA-N 1 2 368.250 2.666 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(F)cn3)C[C@@H]21 ZINC001084926150 998130146 /nfs/dbraw/zinc/13/01/46/998130146.db2.gz INRFRAUNJIVAAW-DOMZBBRYSA-N 1 2 368.250 2.666 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C)sn3)C[C@@H]21 ZINC001084929522 998159844 /nfs/dbraw/zinc/15/98/44/998159844.db2.gz UDECGBTXJOGAOM-OCCSQVGLSA-N 1 2 370.316 2.897 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C)sn3)C[C@@H]21 ZINC001084929522 998159846 /nfs/dbraw/zinc/15/98/46/998159846.db2.gz UDECGBTXJOGAOM-OCCSQVGLSA-N 1 2 370.316 2.897 20 30 FFEDLO CC(C)(C)c1cnc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)o1 ZINC001084935520 998183154 /nfs/dbraw/zinc/18/31/54/998183154.db2.gz OSGLQTOJEQYBIX-SJORKVTESA-N 1 2 355.482 2.808 20 30 FFEDLO CC(C)(C)c1cnc(C[N@H+]2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)o1 ZINC001084935520 998183156 /nfs/dbraw/zinc/18/31/56/998183156.db2.gz OSGLQTOJEQYBIX-SJORKVTESA-N 1 2 355.482 2.808 20 30 FFEDLO CC(=O)c1nc(CC[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)[nH]c1C ZINC000677475584 1016205011 /nfs/dbraw/zinc/20/50/11/1016205011.db2.gz CWXWUJAYBIMSQC-UHFFFAOYSA-N 1 2 365.481 2.543 20 30 FFEDLO CC(=O)c1nc(CC[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)[nH]c1C ZINC000677475584 1016205024 /nfs/dbraw/zinc/20/50/24/1016205024.db2.gz CWXWUJAYBIMSQC-UHFFFAOYSA-N 1 2 365.481 2.543 20 30 FFEDLO CC(=O)c1[nH]c(CC[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)nc1C ZINC000677475584 1016205033 /nfs/dbraw/zinc/20/50/33/1016205033.db2.gz CWXWUJAYBIMSQC-UHFFFAOYSA-N 1 2 365.481 2.543 20 30 FFEDLO CC(=O)c1[nH]c(CC[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)nc1C ZINC000677475584 1016205044 /nfs/dbraw/zinc/20/50/44/1016205044.db2.gz CWXWUJAYBIMSQC-UHFFFAOYSA-N 1 2 365.481 2.543 20 30 FFEDLO CC(=O)c1nc(CCN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)[nH]c1C ZINC000677475584 1016205053 /nfs/dbraw/zinc/20/50/53/1016205053.db2.gz CWXWUJAYBIMSQC-UHFFFAOYSA-N 1 2 365.481 2.543 20 30 FFEDLO CC(=O)c1nc(CCN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)[nH]c1C ZINC000677475584 1016205059 /nfs/dbraw/zinc/20/50/59/1016205059.db2.gz CWXWUJAYBIMSQC-UHFFFAOYSA-N 1 2 365.481 2.543 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ncoc3C(F)(F)F)C[C@@H]21 ZINC001084976239 998454314 /nfs/dbraw/zinc/45/43/14/998454314.db2.gz XXNFWHLKSLKTQS-MNOVXSKESA-N 1 2 363.767 2.982 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ncoc3C(F)(F)F)C[C@@H]21 ZINC001084976239 998454318 /nfs/dbraw/zinc/45/43/18/998454318.db2.gz XXNFWHLKSLKTQS-MNOVXSKESA-N 1 2 363.767 2.982 20 30 FFEDLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000732207845 998534781 /nfs/dbraw/zinc/53/47/81/998534781.db2.gz OAYIVYSIVRUSHC-MRXNPFEDSA-N 1 2 374.485 2.778 20 30 FFEDLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000732207845 998534788 /nfs/dbraw/zinc/53/47/88/998534788.db2.gz OAYIVYSIVRUSHC-MRXNPFEDSA-N 1 2 374.485 2.778 20 30 FFEDLO C[C@@H](CC(=O)OCCOc1c(C#N)cnc2ccccc21)n1cc[nH+]c1 ZINC000845462097 998547424 /nfs/dbraw/zinc/54/74/24/998547424.db2.gz HHYXANSDPWUCDV-AWEZNQCLSA-N 1 2 350.378 2.876 20 30 FFEDLO CC[NH+](CC)[C@@H](C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000732347044 998622136 /nfs/dbraw/zinc/62/21/36/998622136.db2.gz ALCXTJANVZYBTF-QUCCMNQESA-N 1 2 359.470 2.667 20 30 FFEDLO CC[NH+](CC)[C@H](C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000732347036 998622579 /nfs/dbraw/zinc/62/25/79/998622579.db2.gz ALCXTJANVZYBTF-AZUAARDMSA-N 1 2 359.470 2.667 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001085024042 998701425 /nfs/dbraw/zinc/70/14/25/998701425.db2.gz QCCKRZMAEQWWDQ-UWVAXJGDSA-N 1 2 359.518 2.884 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001085024042 998701426 /nfs/dbraw/zinc/70/14/26/998701426.db2.gz QCCKRZMAEQWWDQ-UWVAXJGDSA-N 1 2 359.518 2.884 20 30 FFEDLO C#Cc1cncc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4csc(C)n4)[C@H]3C2)c1 ZINC001085028191 998707082 /nfs/dbraw/zinc/70/70/82/998707082.db2.gz SGOQIWDIXVMWPW-APWZRJJASA-N 1 2 366.490 2.564 20 30 FFEDLO C#Cc1cncc(C(=O)N2CC[C@H]3CC[N@H+](Cc4csc(C)n4)[C@H]3C2)c1 ZINC001085028191 998707084 /nfs/dbraw/zinc/70/70/84/998707084.db2.gz SGOQIWDIXVMWPW-APWZRJJASA-N 1 2 366.490 2.564 20 30 FFEDLO N#Cc1ccc(N2CCC(C(=O)OCc3cc[nH+]c(N)c3)CC2)c(F)c1 ZINC000803865670 1016249651 /nfs/dbraw/zinc/24/96/51/1016249651.db2.gz HHMUMEUIAZQWHD-UHFFFAOYSA-N 1 2 354.385 2.634 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3scnc3COC)C[C@@H]21 ZINC001085051745 998777180 /nfs/dbraw/zinc/77/71/80/998777180.db2.gz FUPZHVLMINKWPY-OCCSQVGLSA-N 1 2 355.891 2.578 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3scnc3COC)C[C@@H]21 ZINC001085051745 998777184 /nfs/dbraw/zinc/77/71/84/998777184.db2.gz FUPZHVLMINKWPY-OCCSQVGLSA-N 1 2 355.891 2.578 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3nccs3)C[C@@H]21 ZINC001085061356 998818534 /nfs/dbraw/zinc/81/85/34/998818534.db2.gz CRZOJKGELGEQKV-PBHICJAKSA-N 1 2 352.463 2.751 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3nccs3)C[C@@H]21 ZINC001085061356 998818536 /nfs/dbraw/zinc/81/85/36/998818536.db2.gz CRZOJKGELGEQKV-PBHICJAKSA-N 1 2 352.463 2.751 20 30 FFEDLO CC[C@H](C#N)Oc1cc(CNC(=O)CCCn2cc[nH+]c2)ccc1OC ZINC000733228689 998923848 /nfs/dbraw/zinc/92/38/48/998923848.db2.gz NTMOCCADYRSRQX-MRXNPFEDSA-N 1 2 356.426 2.669 20 30 FFEDLO CCOc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)c2ccc(OC)cc2)cc1 ZINC000733305951 998953335 /nfs/dbraw/zinc/95/33/35/998953335.db2.gz CZKJIGNDNKQAKG-ZDUSSCGKSA-N 1 2 357.410 2.758 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1Cc3cccc(F)c3O1)C2 ZINC001096577807 1016277951 /nfs/dbraw/zinc/27/79/51/1016277951.db2.gz ZJYDQQHCHYNYGZ-OEAJRASXSA-N 1 2 350.821 2.603 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1Cc3cccc(F)c3O1)C2 ZINC001096577807 1016277958 /nfs/dbraw/zinc/27/79/58/1016277958.db2.gz ZJYDQQHCHYNYGZ-OEAJRASXSA-N 1 2 350.821 2.603 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066183841 999143291 /nfs/dbraw/zinc/14/32/91/999143291.db2.gz DRPZRFIRNCHCFW-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066183841 999143293 /nfs/dbraw/zinc/14/32/93/999143293.db2.gz DRPZRFIRNCHCFW-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO N#C[C@@H](C(=O)C[NH+]1CCc2ccccc2CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000734835688 999345916 /nfs/dbraw/zinc/34/59/16/999345916.db2.gz FOKSHKIFTWYYGU-SFHVURJKSA-N 1 2 372.428 2.612 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C2CC2)no1 ZINC001085870305 999664075 /nfs/dbraw/zinc/66/40/75/999664075.db2.gz PUVUMFBMZNMTIZ-IEZWGBDMSA-N 1 2 359.470 2.566 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C2CC2)no1 ZINC001085870305 999664077 /nfs/dbraw/zinc/66/40/77/999664077.db2.gz PUVUMFBMZNMTIZ-IEZWGBDMSA-N 1 2 359.470 2.566 20 30 FFEDLO Cc1ccc(N2CC[C@H]([NH+]3CCN(c4ccccc4C#N)CC3)C2=O)cc1 ZINC000741777980 999741760 /nfs/dbraw/zinc/74/17/60/999741760.db2.gz BWXQAORFAHINON-NRFANRHFSA-N 1 2 360.461 2.794 20 30 FFEDLO CCCn1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000743215808 999806591 /nfs/dbraw/zinc/80/65/91/999806591.db2.gz DMWIOJDBUKFSNI-UHFFFAOYSA-N 1 2 352.442 2.514 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)C[NH2+]1 ZINC001169132145 1000023697 /nfs/dbraw/zinc/02/36/97/1000023697.db2.gz GNCZUPJGHMBZGO-UHNVWZDZSA-N 1 2 360.229 2.577 20 30 FFEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@@]4(C3)OCc3ccccc34)c1=O)CCC2 ZINC000766634650 1000033487 /nfs/dbraw/zinc/03/34/87/1000033487.db2.gz NLYUTGCWPJOBJM-QFIPXVFZSA-N 1 2 361.445 2.688 20 30 FFEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@@]4(C3)OCc3ccccc34)c1=O)CCC2 ZINC000766634650 1000033488 /nfs/dbraw/zinc/03/34/88/1000033488.db2.gz NLYUTGCWPJOBJM-QFIPXVFZSA-N 1 2 361.445 2.688 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001156327914 1000055067 /nfs/dbraw/zinc/05/50/67/1000055067.db2.gz RXYBGDGHKYWAAR-VIFPVBQESA-N 1 2 355.801 2.705 20 30 FFEDLO O=C(COC1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001108992890 1000145740 /nfs/dbraw/zinc/14/57/40/1000145740.db2.gz GMZWKIUUTWEIOG-GIVPXCGWSA-N 1 2 370.468 2.858 20 30 FFEDLO O=C(COC1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001108992890 1000145741 /nfs/dbraw/zinc/14/57/41/1000145741.db2.gz GMZWKIUUTWEIOG-GIVPXCGWSA-N 1 2 370.468 2.858 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109019788 1000151236 /nfs/dbraw/zinc/15/12/36/1000151236.db2.gz KTQKHHHIJHSHGY-KTGNWYGMSA-N 1 2 373.472 2.980 20 30 FFEDLO CC(C)CO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109019788 1000151237 /nfs/dbraw/zinc/15/12/37/1000151237.db2.gz KTQKHHHIJHSHGY-KTGNWYGMSA-N 1 2 373.472 2.980 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129380927 1000161847 /nfs/dbraw/zinc/16/18/47/1000161847.db2.gz HBDRPKWZWPGBEF-OTWHNJEPSA-N 1 2 359.518 2.640 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129380927 1000161848 /nfs/dbraw/zinc/16/18/48/1000161848.db2.gz HBDRPKWZWPGBEF-OTWHNJEPSA-N 1 2 359.518 2.640 20 30 FFEDLO CCCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001109101130 1000165546 /nfs/dbraw/zinc/16/55/46/1000165546.db2.gz KAWLFUAOACHWNB-AABGKKOBSA-N 1 2 358.457 2.715 20 30 FFEDLO CCCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001109101130 1000165548 /nfs/dbraw/zinc/16/55/48/1000165548.db2.gz KAWLFUAOACHWNB-AABGKKOBSA-N 1 2 358.457 2.715 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nn(C)c1Cl ZINC001109166028 1000178481 /nfs/dbraw/zinc/17/84/81/1000178481.db2.gz CUXZRTYINPYWDD-PVAVHDDUSA-N 1 2 362.905 2.797 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nn(C)c1Cl ZINC001109166028 1000178482 /nfs/dbraw/zinc/17/84/82/1000178482.db2.gz CUXZRTYINPYWDD-PVAVHDDUSA-N 1 2 362.905 2.797 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(C)cc1 ZINC001109166375 1000178558 /nfs/dbraw/zinc/17/85/58/1000178558.db2.gz OWZHTLUZKPHIKY-AABGKKOBSA-N 1 2 367.493 2.849 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(C)cc1 ZINC001109166375 1000178559 /nfs/dbraw/zinc/17/85/59/1000178559.db2.gz OWZHTLUZKPHIKY-AABGKKOBSA-N 1 2 367.493 2.849 20 30 FFEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCn2c(COCC3CC3)nnc2C1 ZINC001171211758 1000203816 /nfs/dbraw/zinc/20/38/16/1000203816.db2.gz IDANVIJXWVOPCN-OAHLLOKOSA-N 1 2 351.454 2.523 20 30 FFEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2c(COCC3CC3)nnc2C1 ZINC001171211758 1000203813 /nfs/dbraw/zinc/20/38/13/1000203813.db2.gz IDANVIJXWVOPCN-OAHLLOKOSA-N 1 2 351.454 2.523 20 30 FFEDLO COc1cccc(Cl)c1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109257720 1000203828 /nfs/dbraw/zinc/20/38/28/1000203828.db2.gz KFBAQXGMWRQOIO-JLSDUUJJSA-N 1 2 358.869 2.984 20 30 FFEDLO COc1cccc(Cl)c1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109257720 1000203831 /nfs/dbraw/zinc/20/38/31/1000203831.db2.gz KFBAQXGMWRQOIO-JLSDUUJJSA-N 1 2 358.869 2.984 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)s1 ZINC001109267567 1000209184 /nfs/dbraw/zinc/20/91/84/1000209184.db2.gz PYUPKMKRSWJANG-NEBZKDRISA-N 1 2 352.887 2.661 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)s1 ZINC001109267567 1000209190 /nfs/dbraw/zinc/20/91/90/1000209190.db2.gz PYUPKMKRSWJANG-NEBZKDRISA-N 1 2 352.887 2.661 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(F)(F)F)CCOCC1)C2 ZINC001109304237 1000265040 /nfs/dbraw/zinc/26/50/40/1000265040.db2.gz QHRXAVMCFYWUST-AGIUHOORSA-N 1 2 366.811 2.820 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(F)(F)F)CCOCC1)C2 ZINC001109304237 1000265042 /nfs/dbraw/zinc/26/50/42/1000265042.db2.gz QHRXAVMCFYWUST-AGIUHOORSA-N 1 2 366.811 2.820 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)[C@H]2C1 ZINC001091215140 1000279786 /nfs/dbraw/zinc/27/97/86/1000279786.db2.gz WVPRNAUQFSGTTL-RYRKJORJSA-N 1 2 370.497 2.681 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001109339032 1000287818 /nfs/dbraw/zinc/28/78/18/1000287818.db2.gz WPEHWHAQAXFVRU-QYZOEREBSA-N 1 2 369.509 2.973 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001109339032 1000287822 /nfs/dbraw/zinc/28/78/22/1000287822.db2.gz WPEHWHAQAXFVRU-QYZOEREBSA-N 1 2 369.509 2.973 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)c1ccco1 ZINC001109353111 1000297627 /nfs/dbraw/zinc/29/76/27/1000297627.db2.gz JGQDIJBJVGRZIR-NCOADZHNSA-N 1 2 359.470 2.535 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)c1ccco1 ZINC001109353111 1000297630 /nfs/dbraw/zinc/29/76/30/1000297630.db2.gz JGQDIJBJVGRZIR-NCOADZHNSA-N 1 2 359.470 2.535 20 30 FFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000768800996 1000341238 /nfs/dbraw/zinc/34/12/38/1000341238.db2.gz OJYMTPWMLUYHJB-UHFFFAOYSA-N 1 2 350.422 2.776 20 30 FFEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)cc1 ZINC000769131331 1000441881 /nfs/dbraw/zinc/44/18/81/1000441881.db2.gz GFCZDGMAFCFLAJ-UHFFFAOYSA-N 1 2 366.436 2.725 20 30 FFEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OC[C@@H]2CCCOC2)cc1 ZINC000769842247 1000619952 /nfs/dbraw/zinc/61/99/52/1000619952.db2.gz KQXICLQPJRGOQF-OAHLLOKOSA-N 1 2 363.458 2.775 20 30 FFEDLO Cc1cc(N[C@@H]2CC[C@H](CNC(=O)CSCC#N)C2)nc(C2CC2)[nH+]1 ZINC001091552079 1000651865 /nfs/dbraw/zinc/65/18/65/1000651865.db2.gz FQIRUIOWMIJKGE-DZGCQCFKSA-N 1 2 359.499 2.616 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NCc1ccco1 ZINC001109591176 1000687114 /nfs/dbraw/zinc/68/71/14/1000687114.db2.gz UNCAIKUZJXWMBF-LMSBXDPUSA-N 1 2 373.497 2.608 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NCc1ccco1 ZINC001109591176 1000687118 /nfs/dbraw/zinc/68/71/18/1000687118.db2.gz UNCAIKUZJXWMBF-LMSBXDPUSA-N 1 2 373.497 2.608 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(C(F)(F)F)nc1 ZINC001109604698 1000714380 /nfs/dbraw/zinc/71/43/80/1000714380.db2.gz VNAOMVRBANJRTD-RDBSUJKOSA-N 1 2 368.403 2.929 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(C(F)(F)F)nc1 ZINC001109604698 1000714385 /nfs/dbraw/zinc/71/43/85/1000714385.db2.gz VNAOMVRBANJRTD-RDBSUJKOSA-N 1 2 368.403 2.929 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)C(C)C ZINC001109634170 1000734383 /nfs/dbraw/zinc/73/43/83/1000734383.db2.gz FDMDLMBHPAVYKQ-BDXSIMOUSA-N 1 2 370.559 2.524 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)C(C)C ZINC001109634170 1000734390 /nfs/dbraw/zinc/73/43/90/1000734390.db2.gz FDMDLMBHPAVYKQ-BDXSIMOUSA-N 1 2 370.559 2.524 20 30 FFEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001091596664 1000757202 /nfs/dbraw/zinc/75/72/02/1000757202.db2.gz IWJQNVXXNBIVNQ-UONOGXRCSA-N 1 2 355.417 2.668 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCc2ccccc21 ZINC001109658937 1000799208 /nfs/dbraw/zinc/79/92/08/1000799208.db2.gz LAFPAGIESCDCRM-HBFSDRIKSA-N 1 2 367.493 2.654 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCc2ccccc21 ZINC001109658937 1000799214 /nfs/dbraw/zinc/79/92/14/1000799214.db2.gz LAFPAGIESCDCRM-HBFSDRIKSA-N 1 2 367.493 2.654 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)C(C)C ZINC001109675959 1000817714 /nfs/dbraw/zinc/81/77/14/1000817714.db2.gz MUKBCZAXOXXNQJ-FYQPLNBISA-N 1 2 358.457 2.570 20 30 FFEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)C(C)C ZINC001109675959 1000817722 /nfs/dbraw/zinc/81/77/22/1000817722.db2.gz MUKBCZAXOXXNQJ-FYQPLNBISA-N 1 2 358.457 2.570 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(OC)nc1C ZINC001109681675 1000835230 /nfs/dbraw/zinc/83/52/30/1000835230.db2.gz CYRCNPORCWYBQX-YLAKUSLOSA-N 1 2 358.486 2.617 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(OC)nc1C ZINC001109681675 1000835234 /nfs/dbraw/zinc/83/52/34/1000835234.db2.gz CYRCNPORCWYBQX-YLAKUSLOSA-N 1 2 358.486 2.617 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H](CNc3cc[nH+]c(C)n3)[C@H](OCC)C2)CCC1 ZINC001091672821 1001025653 /nfs/dbraw/zinc/02/56/53/1001025653.db2.gz WJHQTFDGTCUXOV-IAGOWNOFSA-N 1 2 358.486 2.807 20 30 FFEDLO C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H](CNc2ncccc2C#N)C1 ZINC001091684943 1001055408 /nfs/dbraw/zinc/05/54/08/1001055408.db2.gz WHIFDNCDBLJGBL-AEFFLSMTSA-N 1 2 366.469 2.669 20 30 FFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](CNc2cccc(F)c2C#N)[C@H](C)C1 ZINC001054667185 1016466303 /nfs/dbraw/zinc/46/63/03/1016466303.db2.gz UTLSMOQHBHSSGC-RBSFLKMASA-N 1 2 369.444 2.806 20 30 FFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](CNc2cccc(F)c2C#N)[C@H](C)C1 ZINC001054667185 1016466305 /nfs/dbraw/zinc/46/63/05/1016466305.db2.gz UTLSMOQHBHSSGC-RBSFLKMASA-N 1 2 369.444 2.806 20 30 FFEDLO COC[C@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109911842 1001151319 /nfs/dbraw/zinc/15/13/19/1001151319.db2.gz KTWRSFLPXRJNDJ-OLQIXAPSSA-N 1 2 359.445 2.591 20 30 FFEDLO COC[C@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109911842 1001151325 /nfs/dbraw/zinc/15/13/25/1001151325.db2.gz KTWRSFLPXRJNDJ-OLQIXAPSSA-N 1 2 359.445 2.591 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccccc1N1CCCCC1 ZINC000771929756 1001238885 /nfs/dbraw/zinc/23/88/85/1001238885.db2.gz JAJCUJYPEIWMMX-UHFFFAOYSA-N 1 2 356.514 2.725 20 30 FFEDLO CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)cn1 ZINC001097956689 1016503832 /nfs/dbraw/zinc/50/38/32/1016503832.db2.gz JOHGVEHYKRRWMN-AQNXPRMDSA-N 1 2 363.465 2.700 20 30 FFEDLO CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)cn1 ZINC001097956689 1016503840 /nfs/dbraw/zinc/50/38/40/1016503840.db2.gz JOHGVEHYKRRWMN-AQNXPRMDSA-N 1 2 363.465 2.700 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@@H](C)c4csnn4)C[C@@]3(C)C2)cc1 ZINC001091906757 1002058810 /nfs/dbraw/zinc/05/88/10/1002058810.db2.gz DKYRTMIXKINGMH-NQYLQCIDSA-N 1 2 366.490 2.675 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+]([C@@H](C)c4csnn4)C[C@@]3(C)C2)cc1 ZINC001091906757 1002058820 /nfs/dbraw/zinc/05/88/20/1002058820.db2.gz DKYRTMIXKINGMH-NQYLQCIDSA-N 1 2 366.490 2.675 20 30 FFEDLO C=CCSCC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1nc2ccccc2[nH]1 ZINC001273478801 1002126584 /nfs/dbraw/zinc/12/65/84/1002126584.db2.gz UUHKVDCFQRSSOR-IRXDYDNUSA-N 1 2 356.495 2.657 20 30 FFEDLO C=CCSCC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1nc2ccccc2[nH]1 ZINC001273478801 1002126593 /nfs/dbraw/zinc/12/65/93/1002126593.db2.gz UUHKVDCFQRSSOR-IRXDYDNUSA-N 1 2 356.495 2.657 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc3cccc(OC)c3o2)n1 ZINC000789761784 1002181725 /nfs/dbraw/zinc/18/17/25/1002181725.db2.gz HYFDPGJLQPYSED-UHFFFAOYSA-N 1 2 353.422 2.920 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc3cccc(OC)c3o2)n1 ZINC000789761784 1002181731 /nfs/dbraw/zinc/18/17/31/1002181731.db2.gz HYFDPGJLQPYSED-UHFFFAOYSA-N 1 2 353.422 2.920 20 30 FFEDLO Cc1cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)cc(=O)o1 ZINC001183829251 1002401975 /nfs/dbraw/zinc/40/19/75/1002401975.db2.gz SCSZCYCEVCTIFE-SFHVURJKSA-N 1 2 351.406 2.813 20 30 FFEDLO Cc1cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)cc(=O)o1 ZINC001183829251 1002401977 /nfs/dbraw/zinc/40/19/77/1002401977.db2.gz SCSZCYCEVCTIFE-SFHVURJKSA-N 1 2 351.406 2.813 20 30 FFEDLO CCOC(CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N)OCC ZINC001183838352 1002405564 /nfs/dbraw/zinc/40/55/64/1002405564.db2.gz FYCOMQDPXYJIGN-IBGZPJMESA-N 1 2 373.497 2.818 20 30 FFEDLO CCOC(CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N)OCC ZINC001183838352 1002405566 /nfs/dbraw/zinc/40/55/66/1002405566.db2.gz FYCOMQDPXYJIGN-IBGZPJMESA-N 1 2 373.497 2.818 20 30 FFEDLO CCO[C@@H](CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110348178 1002550661 /nfs/dbraw/zinc/55/06/61/1002550661.db2.gz VSZMYSNBMFPVEB-YSHGAJCASA-N 1 2 359.445 2.734 20 30 FFEDLO CCO[C@@H](CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110348178 1002550675 /nfs/dbraw/zinc/55/06/75/1002550675.db2.gz VSZMYSNBMFPVEB-YSHGAJCASA-N 1 2 359.445 2.734 20 30 FFEDLO Cc1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001096859552 1016648298 /nfs/dbraw/zinc/64/82/98/1016648298.db2.gz MNAKXXZGUKZEQY-KURKYZTESA-N 1 2 353.397 2.509 20 30 FFEDLO Cc1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001096859552 1016648307 /nfs/dbraw/zinc/64/83/07/1016648307.db2.gz MNAKXXZGUKZEQY-KURKYZTESA-N 1 2 353.397 2.509 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2nc(C)cc(C)n2)C1 ZINC001092314919 1002666124 /nfs/dbraw/zinc/66/61/24/1002666124.db2.gz YKLGHDGNWRVMEN-IAGOWNOFSA-N 1 2 368.485 2.590 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2nccc(C)n2)C1 ZINC001092315604 1002668383 /nfs/dbraw/zinc/66/83/83/1002668383.db2.gz INCLGLMQKMWYFX-DJIMGWMZSA-N 1 2 368.485 2.527 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(OCC)c(F)c1F ZINC001276267171 1016666794 /nfs/dbraw/zinc/66/67/94/1016666794.db2.gz QNGNSADJTSTFSO-HXUWFJFHSA-N 1 2 362.420 2.954 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(OCC)c(F)c1F ZINC001276267171 1016666799 /nfs/dbraw/zinc/66/67/99/1016666799.db2.gz QNGNSADJTSTFSO-HXUWFJFHSA-N 1 2 362.420 2.954 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110360833 1002918693 /nfs/dbraw/zinc/91/86/93/1002918693.db2.gz OCZADIVDCLIRPA-PSAKCFHXSA-N 1 2 353.466 2.595 20 30 FFEDLO C[C@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110360833 1002918706 /nfs/dbraw/zinc/91/87/06/1002918706.db2.gz OCZADIVDCLIRPA-PSAKCFHXSA-N 1 2 353.466 2.595 20 30 FFEDLO [NH2+]=C(NC(O)=Cn1cnc2ccc(F)cc21)c1ccc2cc(O)ccc2c1 ZINC001185345214 1002924851 /nfs/dbraw/zinc/92/48/51/1002924851.db2.gz BCRMHAIZZKSJJI-UHFFFAOYSA-N 1 2 362.364 2.966 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2CCC2)C3)c1 ZINC001096916021 1016733334 /nfs/dbraw/zinc/73/33/34/1016733334.db2.gz FQAXRIWOLJCCCE-AQNXPRMDSA-N 1 2 365.477 2.518 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2CCC2)C3)c1 ZINC001096916021 1016733347 /nfs/dbraw/zinc/73/33/47/1016733347.db2.gz FQAXRIWOLJCCCE-AQNXPRMDSA-N 1 2 365.477 2.518 20 30 FFEDLO C=CCn1cccc1C(=O)NCC[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001092595930 1003192973 /nfs/dbraw/zinc/19/29/73/1003192973.db2.gz FCBHSNBXBFAFGM-NVXWUHKLSA-N 1 2 353.470 2.665 20 30 FFEDLO C[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001092596410 1003195338 /nfs/dbraw/zinc/19/53/38/1003195338.db2.gz SBTURZVZCFWMGV-HUUCEWRRSA-N 1 2 369.444 2.632 20 30 FFEDLO C[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001092596410 1003195343 /nfs/dbraw/zinc/19/53/43/1003195343.db2.gz SBTURZVZCFWMGV-HUUCEWRRSA-N 1 2 369.444 2.632 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(C3CC3)o1)C2 ZINC001095553658 1016745800 /nfs/dbraw/zinc/74/58/00/1016745800.db2.gz QLOCROBHUZJCRH-SQNIBIBYSA-N 1 2 362.433 2.959 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(C3CC3)o1)C2 ZINC001095553658 1016745812 /nfs/dbraw/zinc/74/58/12/1016745812.db2.gz QLOCROBHUZJCRH-SQNIBIBYSA-N 1 2 362.433 2.959 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001110379472 1003280548 /nfs/dbraw/zinc/28/05/48/1003280548.db2.gz OQIMDIZXAMHWNO-WMZOPIPTSA-N 1 2 370.497 2.706 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(F)c2F)c1 ZINC001096929329 1016751413 /nfs/dbraw/zinc/75/14/13/1016751413.db2.gz XHXIAHIEMHLNDT-UNEWFSDZSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(F)c2F)c1 ZINC001096929329 1016751419 /nfs/dbraw/zinc/75/14/19/1016751419.db2.gz XHXIAHIEMHLNDT-UNEWFSDZSA-N 1 2 356.376 2.700 20 30 FFEDLO Cn1c[nH+]cc1CCOC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000793257495 1003320675 /nfs/dbraw/zinc/32/06/75/1003320675.db2.gz IAOOPIFQRVKODB-UHFFFAOYSA-N 1 2 351.362 2.863 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](C)[C@H](CCNc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001092627440 1003335058 /nfs/dbraw/zinc/33/50/58/1003335058.db2.gz UCRGCVOYZVSNIZ-IAGOWNOFSA-N 1 2 371.529 2.717 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H](C)[C@H](CCNc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001092627440 1003335067 /nfs/dbraw/zinc/33/50/67/1003335067.db2.gz UCRGCVOYZVSNIZ-IAGOWNOFSA-N 1 2 371.529 2.717 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001095562592 1016762776 /nfs/dbraw/zinc/76/27/76/1016762776.db2.gz ZUUVFZWAEFEAIS-LYGKUDJVSA-N 1 2 371.456 2.734 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001095562592 1016762791 /nfs/dbraw/zinc/76/27/91/1016762791.db2.gz ZUUVFZWAEFEAIS-LYGKUDJVSA-N 1 2 371.456 2.734 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2ccc(I)c(C)c2)CC1 ZINC001186589861 1003370867 /nfs/dbraw/zinc/37/08/67/1003370867.db2.gz BTCYUBASWHFXIY-UHFFFAOYSA-N 1 2 370.234 2.543 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(OC)ccc1OC)C2 ZINC001095568112 1016771350 /nfs/dbraw/zinc/77/13/50/1016771350.db2.gz BRVZKZUPUVQWML-PVAVHDDUSA-N 1 2 364.873 2.720 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(OC)ccc1OC)C2 ZINC001095568112 1016771363 /nfs/dbraw/zinc/77/13/63/1016771363.db2.gz BRVZKZUPUVQWML-PVAVHDDUSA-N 1 2 364.873 2.720 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187159630 1003571754 /nfs/dbraw/zinc/57/17/54/1003571754.db2.gz GLULXEKGQZCYML-CFLQYTFWSA-N 1 2 371.456 2.545 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187159630 1003571761 /nfs/dbraw/zinc/57/17/61/1003571761.db2.gz GLULXEKGQZCYML-CFLQYTFWSA-N 1 2 371.456 2.545 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C(C)C)n1 ZINC001092852226 1003668941 /nfs/dbraw/zinc/66/89/41/1003668941.db2.gz KRZJOXCOMOYLFA-IKGGRYGDSA-N 1 2 358.486 2.727 20 30 FFEDLO C#C[C@@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCCO1 ZINC000775688029 1003680742 /nfs/dbraw/zinc/68/07/42/1003680742.db2.gz KRWDJZQBICNVNQ-MJGOQNOKSA-N 1 2 362.433 2.904 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)CC(C)(C)C ZINC001196392071 1003759939 /nfs/dbraw/zinc/75/99/39/1003759939.db2.gz NDJHRXOWRYWKMB-MISYRCLQSA-N 1 2 356.510 2.662 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)CC(C)(C)C ZINC001196392071 1003759943 /nfs/dbraw/zinc/75/99/43/1003759943.db2.gz NDJHRXOWRYWKMB-MISYRCLQSA-N 1 2 356.510 2.662 20 30 FFEDLO N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(O)ccc2Cl)c[nH]1 ZINC001096982244 1016830950 /nfs/dbraw/zinc/83/09/50/1016830950.db2.gz XABITKIRBWYUKW-OLMNPRSZSA-N 1 2 370.840 2.781 20 30 FFEDLO N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(O)ccc2Cl)c[nH]1 ZINC001096982244 1016830969 /nfs/dbraw/zinc/83/09/69/1016830969.db2.gz XABITKIRBWYUKW-OLMNPRSZSA-N 1 2 370.840 2.781 20 30 FFEDLO N#CC1(NS(=O)(=O)CC2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001191553621 1003883079 /nfs/dbraw/zinc/88/30/79/1003883079.db2.gz KJMOVTWQHXOOLQ-UHFFFAOYSA-N 1 2 361.511 2.654 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC(C)C)c(Cl)c2)C[C@H]1O ZINC001191724883 1003926764 /nfs/dbraw/zinc/92/67/64/1003926764.db2.gz WBKSOGOFUWSJIS-IAGOWNOFSA-N 1 2 366.889 2.755 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC(C)C)c(Cl)c2)C[C@H]1O ZINC001191724883 1003926772 /nfs/dbraw/zinc/92/67/72/1003926772.db2.gz WBKSOGOFUWSJIS-IAGOWNOFSA-N 1 2 366.889 2.755 20 30 FFEDLO CC(C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001197025480 1004052044 /nfs/dbraw/zinc/05/20/44/1004052044.db2.gz QMACGHSUUZOUKQ-RTBURBONSA-N 1 2 361.461 2.575 20 30 FFEDLO CC(C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001197025480 1004052051 /nfs/dbraw/zinc/05/20/51/1004052051.db2.gz QMACGHSUUZOUKQ-RTBURBONSA-N 1 2 361.461 2.575 20 30 FFEDLO COc1cc(C#N)ccc1C(=O)N1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001192256302 1004098276 /nfs/dbraw/zinc/09/82/76/1004098276.db2.gz FILZJRFROFAKHE-UHFFFAOYSA-N 1 2 350.422 2.650 20 30 FFEDLO CCC[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001197220741 1004128396 /nfs/dbraw/zinc/12/83/96/1004128396.db2.gz IJEJWHDQFIAODB-QWFCFKBJSA-N 1 2 361.461 2.575 20 30 FFEDLO CCC[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001197220741 1004128407 /nfs/dbraw/zinc/12/84/07/1004128407.db2.gz IJEJWHDQFIAODB-QWFCFKBJSA-N 1 2 361.461 2.575 20 30 FFEDLO CC(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001197244546 1004139032 /nfs/dbraw/zinc/13/90/32/1004139032.db2.gz XEAYJKAXHBKRBO-ATZDWAIDSA-N 1 2 362.901 2.535 20 30 FFEDLO CC(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001197244546 1004139041 /nfs/dbraw/zinc/13/90/41/1004139041.db2.gz XEAYJKAXHBKRBO-ATZDWAIDSA-N 1 2 362.901 2.535 20 30 FFEDLO C[N@@H+]1CCc2c(sc(NC(=S)Nc3cccc(C#N)c3)c2C(N)=O)C1 ZINC001197679999 1004319190 /nfs/dbraw/zinc/31/91/90/1004319190.db2.gz XRSOSFOLVTVLCT-UHFFFAOYSA-N 1 2 371.491 2.515 20 30 FFEDLO C[N@H+]1CCc2c(sc(NC(=S)Nc3cccc(C#N)c3)c2C(N)=O)C1 ZINC001197679999 1004319193 /nfs/dbraw/zinc/31/91/93/1004319193.db2.gz XRSOSFOLVTVLCT-UHFFFAOYSA-N 1 2 371.491 2.515 20 30 FFEDLO CC[C@@H](CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)C(C)(C)C ZINC001197742570 1004348193 /nfs/dbraw/zinc/34/81/93/1004348193.db2.gz FVIKUJFLBXLLNI-XUVXKRRUSA-N 1 2 356.510 2.662 20 30 FFEDLO CC[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)C(C)(C)C ZINC001197742570 1004348198 /nfs/dbraw/zinc/34/81/98/1004348198.db2.gz FVIKUJFLBXLLNI-XUVXKRRUSA-N 1 2 356.510 2.662 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCCC)CCCCC1 ZINC001111441574 1016872376 /nfs/dbraw/zinc/87/23/76/1016872376.db2.gz UNSCNHRCOUPTEG-KURKYZTESA-N 1 2 361.530 2.761 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCCC)CCCCC1 ZINC001111441574 1016872384 /nfs/dbraw/zinc/87/23/84/1016872384.db2.gz UNSCNHRCOUPTEG-KURKYZTESA-N 1 2 361.530 2.761 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)Nc1ccccc1 ZINC001110497483 1004419102 /nfs/dbraw/zinc/41/91/02/1004419102.db2.gz WMBQFXGJHGBRIO-AITUJVMLSA-N 1 2 353.466 2.539 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)Nc1ccccc1 ZINC001110497483 1004419110 /nfs/dbraw/zinc/41/91/10/1004419110.db2.gz WMBQFXGJHGBRIO-AITUJVMLSA-N 1 2 353.466 2.539 20 30 FFEDLO C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCCCC)n[nH]2)O1 ZINC001130759724 1004434131 /nfs/dbraw/zinc/43/41/31/1004434131.db2.gz HGTALFFHGPSPHZ-UONOGXRCSA-N 1 2 369.897 2.563 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1O ZINC001198103537 1004496078 /nfs/dbraw/zinc/49/60/78/1004496078.db2.gz JPFUEMMCTCDXBF-IAGOWNOFSA-N 1 2 351.491 2.785 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1O ZINC001198103537 1004496082 /nfs/dbraw/zinc/49/60/82/1004496082.db2.gz JPFUEMMCTCDXBF-IAGOWNOFSA-N 1 2 351.491 2.785 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1 ZINC000807178451 1004529142 /nfs/dbraw/zinc/52/91/42/1004529142.db2.gz LULUSUFULKACTQ-RTBURBONSA-N 1 2 369.852 2.518 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000807178451 1004529151 /nfs/dbraw/zinc/52/91/51/1004529151.db2.gz LULUSUFULKACTQ-RTBURBONSA-N 1 2 369.852 2.518 20 30 FFEDLO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cccc(C#N)c3O)cc2)CC1 ZINC001193646313 1004537994 /nfs/dbraw/zinc/53/79/94/1004537994.db2.gz GLZZAJJLLPBXRH-UHFFFAOYSA-N 1 2 364.449 2.654 20 30 FFEDLO CCC[C@@H](CC1CCCC1)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131081930 1004705985 /nfs/dbraw/zinc/70/59/85/1004705985.db2.gz FHTHQYKNPWCIQW-IPMKNSEASA-N 1 2 371.529 2.824 20 30 FFEDLO C#CCOc1ccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cc1 ZINC000808086603 1004750410 /nfs/dbraw/zinc/75/04/10/1004750410.db2.gz DFNITAKZEZVVCD-UHFFFAOYSA-N 1 2 369.490 2.933 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(F)cc3C#N)CC2)C1 ZINC000808119547 1004753671 /nfs/dbraw/zinc/75/36/71/1004753671.db2.gz DFWBVCUPOSXPGO-QGZVFWFLSA-N 1 2 374.460 2.829 20 30 FFEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CC[C@@H](C)O1)c1ccccc1OC ZINC001198909055 1004791318 /nfs/dbraw/zinc/79/13/18/1004791318.db2.gz VLFKIVQKBOKXLE-UKPHBRMFSA-N 1 2 352.862 2.762 20 30 FFEDLO CCCC[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001194841076 1004821464 /nfs/dbraw/zinc/82/14/64/1004821464.db2.gz YIUGIIBRMQUSTQ-NSISKUIASA-N 1 2 357.498 2.826 20 30 FFEDLO CCCC[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001194841076 1004821472 /nfs/dbraw/zinc/82/14/72/1004821472.db2.gz YIUGIIBRMQUSTQ-NSISKUIASA-N 1 2 357.498 2.826 20 30 FFEDLO CCCC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O)C(C)C ZINC001199155602 1004849328 /nfs/dbraw/zinc/84/93/28/1004849328.db2.gz UCEJUSMYNLFPBG-RCCFBDPRSA-N 1 2 363.527 2.743 20 30 FFEDLO CCCC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O)C(C)C ZINC001199155602 1004849334 /nfs/dbraw/zinc/84/93/34/1004849334.db2.gz UCEJUSMYNLFPBG-RCCFBDPRSA-N 1 2 363.527 2.743 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ccc3F)C[C@H]2O)CCCC1 ZINC001199566677 1004972150 /nfs/dbraw/zinc/97/21/50/1004972150.db2.gz DCGFJSGHSAAEJW-RTBURBONSA-N 1 2 360.473 2.932 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ccc3F)C[C@H]2O)CCCC1 ZINC001199566677 1004972154 /nfs/dbraw/zinc/97/21/54/1004972154.db2.gz DCGFJSGHSAAEJW-RTBURBONSA-N 1 2 360.473 2.932 20 30 FFEDLO C[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001195596780 1004994786 /nfs/dbraw/zinc/99/47/86/1004994786.db2.gz SMKBTZGHBGTCLK-UHFFFAOYSA-N 1 2 373.359 2.628 20 30 FFEDLO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001195596780 1004994795 /nfs/dbraw/zinc/99/47/95/1004994795.db2.gz SMKBTZGHBGTCLK-UHFFFAOYSA-N 1 2 373.359 2.628 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ccc(F)c(F)c3)C[C@H]2O)CCC1 ZINC001195940045 1005068868 /nfs/dbraw/zinc/06/88/68/1005068868.db2.gz NGUSLENZYZTDLE-MORSLUCNSA-N 1 2 364.436 2.934 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ccc(F)c(F)c3)C[C@H]2O)CCC1 ZINC001195940045 1005068875 /nfs/dbraw/zinc/06/88/75/1005068875.db2.gz NGUSLENZYZTDLE-MORSLUCNSA-N 1 2 364.436 2.934 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1O ZINC001195923660 1005074673 /nfs/dbraw/zinc/07/46/73/1005074673.db2.gz IQXYSXALZOXFIR-NUJGCVRESA-N 1 2 370.415 2.969 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1O ZINC001195923660 1005074679 /nfs/dbraw/zinc/07/46/79/1005074679.db2.gz IQXYSXALZOXFIR-NUJGCVRESA-N 1 2 370.415 2.969 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2ccn(-c3ccccc3)n2)cc1OC ZINC000105393679 1005078544 /nfs/dbraw/zinc/07/85/44/1005078544.db2.gz QNTSZEZMFTYZDI-UHFFFAOYSA-N 1 2 352.394 2.727 20 30 FFEDLO C#C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[C@@H]1CCCO1 ZINC000776230944 1005293225 /nfs/dbraw/zinc/29/32/25/1005293225.db2.gz MSYGRLCJRUBTCA-ZGXWSNOMSA-N 1 2 364.449 2.592 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]Cc2ncccn2)cc1 ZINC001050274144 1016956623 /nfs/dbraw/zinc/95/66/23/1016956623.db2.gz PDQNUZDOUKKWPP-IPELMVKDSA-N 1 2 366.465 2.535 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2cscn2)C[C@H]1c1ccccc1 ZINC001488884685 1005378100 /nfs/dbraw/zinc/37/81/00/1005378100.db2.gz GYBIHTXHSZJNLE-RBUKOAKNSA-N 1 2 353.491 2.887 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2cscn2)C[C@H]1c1ccccc1 ZINC001488884685 1005378102 /nfs/dbraw/zinc/37/81/02/1005378102.db2.gz GYBIHTXHSZJNLE-RBUKOAKNSA-N 1 2 353.491 2.887 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](Cc2noc3c2COCC3)[C@@H]1CC ZINC001489116472 1005413112 /nfs/dbraw/zinc/41/31/12/1005413112.db2.gz NQLVVGPKJOZJBW-DOTOQJQBSA-N 1 2 361.486 2.819 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](Cc2noc3c2COCC3)[C@@H]1CC ZINC001489116472 1005413114 /nfs/dbraw/zinc/41/31/14/1005413114.db2.gz NQLVVGPKJOZJBW-DOTOQJQBSA-N 1 2 361.486 2.819 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC)CC[C@@H]1c1ccccc1 ZINC001489094761 1005418557 /nfs/dbraw/zinc/41/85/57/1005418557.db2.gz XEGYMVJMWQGHLY-KNKQGSTJSA-N 1 2 371.525 2.699 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC)CC[C@@H]1c1ccccc1 ZINC001489094761 1005418558 /nfs/dbraw/zinc/41/85/58/1005418558.db2.gz XEGYMVJMWQGHLY-KNKQGSTJSA-N 1 2 371.525 2.699 20 30 FFEDLO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cn(C3CCC3)nn2)ccc1OC ZINC000850134507 1005788992 /nfs/dbraw/zinc/78/89/92/1005788992.db2.gz BNWRAZIMGLDDHE-KRWDZBQOSA-N 1 2 355.442 2.982 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3cn(-c4ccccc4)nn3)C[C@H]21 ZINC001187232787 1005968729 /nfs/dbraw/zinc/96/87/29/1005968729.db2.gz ISIQFVHIJUFLFA-ABSDTBQOSA-N 1 2 365.481 2.827 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3cn(-c4ccccc4)nn3)C[C@H]21 ZINC001187232787 1005968735 /nfs/dbraw/zinc/96/87/35/1005968735.db2.gz ISIQFVHIJUFLFA-ABSDTBQOSA-N 1 2 365.481 2.827 20 30 FFEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)cc1 ZINC000852330612 1005982052 /nfs/dbraw/zinc/98/20/52/1005982052.db2.gz RPCZPXLJYUKGGW-OAQYLSRUSA-N 1 2 359.433 2.839 20 30 FFEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)cc1 ZINC000852330612 1005982059 /nfs/dbraw/zinc/98/20/59/1005982059.db2.gz RPCZPXLJYUKGGW-OAQYLSRUSA-N 1 2 359.433 2.839 20 30 FFEDLO CC(C)(C)OC(=O)N1CC(C[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)C1 ZINC000852331953 1005982103 /nfs/dbraw/zinc/98/21/03/1005982103.db2.gz NFSPOFRDUNUMTH-FQEVSTJZSA-N 1 2 356.470 2.806 20 30 FFEDLO CC(C)(C)OC(=O)N1CC(C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)C1 ZINC000852331953 1005982112 /nfs/dbraw/zinc/98/21/12/1005982112.db2.gz NFSPOFRDUNUMTH-FQEVSTJZSA-N 1 2 356.470 2.806 20 30 FFEDLO CCCCCC[C@](O)(C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1)C(=O)OC ZINC000852333952 1005983204 /nfs/dbraw/zinc/98/32/04/1005983204.db2.gz ZJQCHUSKHVYOAS-RTWAWAEBSA-N 1 2 373.497 2.813 20 30 FFEDLO CCCCCC[C@](O)(C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1)C(=O)OC ZINC000852333952 1005983216 /nfs/dbraw/zinc/98/32/16/1005983216.db2.gz ZJQCHUSKHVYOAS-RTWAWAEBSA-N 1 2 373.497 2.813 20 30 FFEDLO CCCCCC[C@@](O)(C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1)C(=O)OC ZINC000852333950 1005983328 /nfs/dbraw/zinc/98/33/28/1005983328.db2.gz ZJQCHUSKHVYOAS-LEWJYISDSA-N 1 2 373.497 2.813 20 30 FFEDLO CCCCCC[C@@](O)(C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1)C(=O)OC ZINC000852333950 1005983336 /nfs/dbraw/zinc/98/33/36/1005983336.db2.gz ZJQCHUSKHVYOAS-LEWJYISDSA-N 1 2 373.497 2.813 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ccnn1C1CCC1 ZINC001097087222 1017015874 /nfs/dbraw/zinc/01/58/74/1017015874.db2.gz MKRDKSIGPMNJKK-NJYVYQBISA-N 1 2 374.488 2.995 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ccnn1C1CCC1 ZINC001097087222 1017015881 /nfs/dbraw/zinc/01/58/81/1017015881.db2.gz MKRDKSIGPMNJKK-NJYVYQBISA-N 1 2 374.488 2.995 20 30 FFEDLO CSC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110393408 1006067138 /nfs/dbraw/zinc/06/71/38/1006067138.db2.gz ITXKTQGSGFCSMA-QVDUIBETSA-N 1 2 361.486 2.918 20 30 FFEDLO CSC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110393408 1006067149 /nfs/dbraw/zinc/06/71/49/1006067149.db2.gz ITXKTQGSGFCSMA-QVDUIBETSA-N 1 2 361.486 2.918 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(NC(C)=O)cc1)C2 ZINC001095705371 1017035425 /nfs/dbraw/zinc/03/54/25/1017035425.db2.gz JQUVQPMDPYSHMS-SQNIBIBYSA-N 1 2 361.873 2.662 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(NC(C)=O)cc1)C2 ZINC001095705371 1017035433 /nfs/dbraw/zinc/03/54/33/1017035433.db2.gz JQUVQPMDPYSHMS-SQNIBIBYSA-N 1 2 361.873 2.662 20 30 FFEDLO CC(C)(C)C#CC(=O)N1CC[C@H]2C[N@H+](Cc3noc4c3CCCC4)C[C@H]21 ZINC001187832859 1006287476 /nfs/dbraw/zinc/28/74/76/1006287476.db2.gz BXIZZDDTKFASAT-MAUKXSAKSA-N 1 2 355.482 2.636 20 30 FFEDLO CC(C)(C)C#CC(=O)N1CC[C@H]2C[N@@H+](Cc3noc4c3CCCC4)C[C@H]21 ZINC001187832859 1006287483 /nfs/dbraw/zinc/28/74/83/1006287483.db2.gz BXIZZDDTKFASAT-MAUKXSAKSA-N 1 2 355.482 2.636 20 30 FFEDLO O=c1[nH]c(N[NH+]=Cc2ccc(N3CCC(O)CC3)cc2)nc2ccccc21 ZINC000853318562 1006366237 /nfs/dbraw/zinc/36/62/37/1006366237.db2.gz DHYALSJEBBVFGL-UHFFFAOYSA-N 1 2 363.421 2.743 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nnc(CC)o3)C[C@H]21 ZINC001188033830 1006388052 /nfs/dbraw/zinc/38/80/52/1006388052.db2.gz OUUUYOSPJSVTHS-BHYGNILZSA-N 1 2 358.486 2.994 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3nnc(CC)o3)C[C@H]21 ZINC001188033830 1006388068 /nfs/dbraw/zinc/38/80/68/1006388068.db2.gz OUUUYOSPJSVTHS-BHYGNILZSA-N 1 2 358.486 2.994 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001188063513 1006394446 /nfs/dbraw/zinc/39/44/46/1006394446.db2.gz LJBLMPCRHSWTRS-QFBILLFUSA-N 1 2 356.514 2.854 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001188063513 1006394457 /nfs/dbraw/zinc/39/44/57/1006394457.db2.gz LJBLMPCRHSWTRS-QFBILLFUSA-N 1 2 356.514 2.854 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1cnc3[nH]cc(C#N)c3c1)C[NH2+]C2(C)C ZINC001170761423 1006417689 /nfs/dbraw/zinc/41/76/89/1006417689.db2.gz QOGLENSSJFHUIV-UHFFFAOYSA-N 1 2 365.397 2.718 20 30 FFEDLO N#CC1(CC(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000814967793 1006482426 /nfs/dbraw/zinc/48/24/26/1006482426.db2.gz ZXKUANZVKDEKOQ-UHFFFAOYSA-N 1 2 367.371 2.923 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4ccco4)no3)C[C@H]21 ZINC001188886223 1006785988 /nfs/dbraw/zinc/78/59/88/1006785988.db2.gz VAKQLDAPVRRDTL-HRCADAONSA-N 1 2 370.453 2.965 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4ccco4)no3)C[C@H]21 ZINC001188886223 1006786003 /nfs/dbraw/zinc/78/60/03/1006786003.db2.gz VAKQLDAPVRRDTL-HRCADAONSA-N 1 2 370.453 2.965 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000112969129 1007101003 /nfs/dbraw/zinc/10/10/03/1007101003.db2.gz MKIATZZWJKQWGB-UHFFFAOYSA-N 1 2 368.393 2.785 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000884102911 1007239472 /nfs/dbraw/zinc/23/94/72/1007239472.db2.gz RBAZYQFXHBIOCC-OALUTQOASA-N 1 2 352.434 2.950 20 30 FFEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc2c(c1)CC(=O)N2C ZINC000775352052 1007446003 /nfs/dbraw/zinc/44/60/03/1007446003.db2.gz NRCKJVGPJFWHQR-CYBMUJFWSA-N 1 2 373.416 2.978 20 30 FFEDLO C#Cc1ccccc1C(=O)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001191107542 1007892576 /nfs/dbraw/zinc/89/25/76/1007892576.db2.gz RNITYGUULOFDNL-QGZVFWFLSA-N 1 2 372.428 2.611 20 30 FFEDLO C=CC[C@]1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CCCN1C(=O)OC(C)(C)C ZINC000857982789 1008268761 /nfs/dbraw/zinc/26/87/61/1008268761.db2.gz SCXABGCJPLLLID-AUUYWEPGSA-N 1 2 360.458 2.790 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c1C#N ZINC000858040946 1008286184 /nfs/dbraw/zinc/28/61/84/1008286184.db2.gz GXDROILRFKWNGH-MRXNPFEDSA-N 1 2 351.406 2.702 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c1C#N ZINC000858040946 1008286188 /nfs/dbraw/zinc/28/61/88/1008286188.db2.gz GXDROILRFKWNGH-MRXNPFEDSA-N 1 2 351.406 2.702 20 30 FFEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)n1cccc1 ZINC001095315877 1008455803 /nfs/dbraw/zinc/45/58/03/1008455803.db2.gz AQIDGFVTLZADKD-DBOLQNLKSA-N 1 2 365.452 2.961 20 30 FFEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)n1cccc1 ZINC001095315877 1008455805 /nfs/dbraw/zinc/45/58/05/1008455805.db2.gz AQIDGFVTLZADKD-DBOLQNLKSA-N 1 2 365.452 2.961 20 30 FFEDLO C[C@H]([C@H](C)NC(=O)C1(c2ccc(C#N)cc2)CCCC1)[NH+]1CCOCC1 ZINC000859228120 1008490416 /nfs/dbraw/zinc/49/04/16/1008490416.db2.gz PBPKVKWURQKTJX-DLBZAZTESA-N 1 2 355.482 2.595 20 30 FFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000886048920 1008525812 /nfs/dbraw/zinc/52/58/12/1008525812.db2.gz ASJQSZQHGOREGQ-MRXNPFEDSA-N 1 2 356.470 2.895 20 30 FFEDLO COc1cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)ccc1C#N ZINC000822493046 1008624110 /nfs/dbraw/zinc/62/41/10/1008624110.db2.gz ONPYGPDADNNKRS-UHFFFAOYSA-N 1 2 350.422 2.882 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)C[C@H]1C ZINC001206537135 1032333425 /nfs/dbraw/zinc/33/34/25/1032333425.db2.gz JFXGQDYMPCMNPZ-CKEIUWERSA-N 1 2 354.454 2.799 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)C[C@H]1C ZINC001206537135 1032333430 /nfs/dbraw/zinc/33/34/30/1032333430.db2.gz JFXGQDYMPCMNPZ-CKEIUWERSA-N 1 2 354.454 2.799 20 30 FFEDLO C#CC[C@@H]1CC[N@@H+]([C@@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)C1 ZINC000886360269 1008649392 /nfs/dbraw/zinc/64/93/92/1008649392.db2.gz SNGLEDHUOOYVNF-QWHCGFSZSA-N 1 2 373.478 2.876 20 30 FFEDLO C#CC[C@@H]1CC[N@H+]([C@@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)C1 ZINC000886360269 1008649399 /nfs/dbraw/zinc/64/93/99/1008649399.db2.gz SNGLEDHUOOYVNF-QWHCGFSZSA-N 1 2 373.478 2.876 20 30 FFEDLO N#C[C@H](Cc1cccs1)C(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001177912519 1008783177 /nfs/dbraw/zinc/78/31/77/1008783177.db2.gz QLXUFABDTOGLQF-ZFWWWQNUSA-N 1 2 353.438 2.762 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)cc1Cl ZINC001177995129 1008838219 /nfs/dbraw/zinc/83/82/19/1008838219.db2.gz RFXVPISPZYOYCI-UHFFFAOYSA-N 1 2 358.829 2.937 20 30 FFEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)CC1 ZINC000886768406 1008868682 /nfs/dbraw/zinc/86/86/82/1008868682.db2.gz AEWNXKCACJZFLJ-UHFFFAOYSA-N 1 2 368.481 2.831 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)ns1 ZINC001095359373 1008967357 /nfs/dbraw/zinc/96/73/57/1008967357.db2.gz FYWONSKUHZTEAI-HFTRVMKXSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)ns1 ZINC001095359373 1008967370 /nfs/dbraw/zinc/96/73/70/1008967370.db2.gz FYWONSKUHZTEAI-HFTRVMKXSA-N 1 2 370.453 2.998 20 30 FFEDLO O=C(C#Cc1ccc(F)cc1F)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001178568566 1009045803 /nfs/dbraw/zinc/04/58/03/1009045803.db2.gz HLKNXSGYHPKCQX-FQEVSTJZSA-N 1 2 352.384 2.758 20 30 FFEDLO O=C(C#Cc1ccc(F)cc1F)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001178568566 1009045816 /nfs/dbraw/zinc/04/58/16/1009045816.db2.gz HLKNXSGYHPKCQX-FQEVSTJZSA-N 1 2 352.384 2.758 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCOCC2)C3)c1 ZINC001095368794 1009050579 /nfs/dbraw/zinc/05/05/79/1009050579.db2.gz PYBDTZLMGNUNSD-RKOGWWSCSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCOCC2)C3)c1 ZINC001095368794 1009050592 /nfs/dbraw/zinc/05/05/92/1009050592.db2.gz PYBDTZLMGNUNSD-RKOGWWSCSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C3)c(F)c1 ZINC001095378799 1009701960 /nfs/dbraw/zinc/70/19/60/1009701960.db2.gz VUQNQEUYWKVFQQ-HZRXROBNSA-N 1 2 363.383 2.820 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C3)c(F)c1 ZINC001095378799 1009701973 /nfs/dbraw/zinc/70/19/73/1009701973.db2.gz VUQNQEUYWKVFQQ-HZRXROBNSA-N 1 2 363.383 2.820 20 30 FFEDLO CCOC(=O)[C@]1(C(C)C)CC[N@@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000773913154 1010078085 /nfs/dbraw/zinc/07/80/85/1010078085.db2.gz JXEOKSRUXDADCC-YLJYHZDGSA-N 1 2 358.438 2.684 20 30 FFEDLO CCOC(=O)[C@]1(C(C)C)CC[N@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000773913154 1010078095 /nfs/dbraw/zinc/07/80/95/1010078095.db2.gz JXEOKSRUXDADCC-YLJYHZDGSA-N 1 2 358.438 2.684 20 30 FFEDLO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000773913151 1010078663 /nfs/dbraw/zinc/07/86/63/1010078663.db2.gz JXEOKSRUXDADCC-XLIONFOSSA-N 1 2 358.438 2.684 20 30 FFEDLO CCOC(=O)[C@@]1(C(C)C)CC[N@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000773913151 1010078672 /nfs/dbraw/zinc/07/86/72/1010078672.db2.gz JXEOKSRUXDADCC-XLIONFOSSA-N 1 2 358.438 2.684 20 30 FFEDLO CCCC[C@@H](CNc1ccc(C#N)c(C)n1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001114331419 1010158029 /nfs/dbraw/zinc/15/80/29/1010158029.db2.gz QDPMMNRCBIQJHT-GVDBMIGSSA-N 1 2 366.469 2.875 20 30 FFEDLO CCCC[C@@H](CNc1ccc(C#N)c(C)n1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001114331419 1010158036 /nfs/dbraw/zinc/15/80/36/1010158036.db2.gz QDPMMNRCBIQJHT-GVDBMIGSSA-N 1 2 366.469 2.875 20 30 FFEDLO C=CCC[C@@H]([NH2+]C1CC2(C[C@H]2NC(=O)OC(C)(C)C)C1)C(=O)OCC ZINC001181828019 1010272794 /nfs/dbraw/zinc/27/27/94/1010272794.db2.gz PUYMFCHLHKQAKE-YYHKSVKZSA-N 1 2 352.475 2.920 20 30 FFEDLO C=CCC1(O)CCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000890241837 1010315759 /nfs/dbraw/zinc/31/57/59/1010315759.db2.gz DDNMGAIDLAXVCB-SFHVURJKSA-N 1 2 354.454 2.737 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C)cc3)o2)C[C@H]1C ZINC001206911103 1032492608 /nfs/dbraw/zinc/49/26/08/1032492608.db2.gz BYAVGDBLPIZDHK-SJLPKXTDSA-N 1 2 366.465 2.785 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C)cc3)o2)C[C@H]1C ZINC001206911103 1032492613 /nfs/dbraw/zinc/49/26/13/1032492613.db2.gz BYAVGDBLPIZDHK-SJLPKXTDSA-N 1 2 366.465 2.785 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C)C1CC1 ZINC001206922392 1032500368 /nfs/dbraw/zinc/50/03/68/1032500368.db2.gz KQUYVHMFRXGRND-NIKGAXFTSA-N 1 2 360.885 2.553 20 30 FFEDLO CO[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C)C1CC1 ZINC001206922392 1032500374 /nfs/dbraw/zinc/50/03/74/1032500374.db2.gz KQUYVHMFRXGRND-NIKGAXFTSA-N 1 2 360.885 2.553 20 30 FFEDLO C[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1cccc(C#N)c1O ZINC000866219494 1010953899 /nfs/dbraw/zinc/95/38/99/1010953899.db2.gz PRKVDJFGQVBZDL-OXQOHEQNSA-N 1 2 351.450 2.988 20 30 FFEDLO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866236908 1010958367 /nfs/dbraw/zinc/95/83/67/1010958367.db2.gz ADNFNZQVCGFKMR-AWEZNQCLSA-N 1 2 353.422 2.630 20 30 FFEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1cccc(S(C)(=O)=O)c1 ZINC000794922148 1010999545 /nfs/dbraw/zinc/99/95/45/1010999545.db2.gz OESREZUUSRVHOF-UHFFFAOYSA-N 1 2 369.450 2.612 20 30 FFEDLO CN(CCc1cccc(C#N)c1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000868035179 1011150845 /nfs/dbraw/zinc/15/08/45/1011150845.db2.gz ITTZXUWVEOCUCG-UHFFFAOYSA-N 1 2 351.454 2.518 20 30 FFEDLO CCCCCCC[N@@H+]1C[C@]2(F)CN(C[C@@H]3COC(C)(C)O3)C(=O)[C@]2(F)C1 ZINC001275110568 1011949177 /nfs/dbraw/zinc/94/91/77/1011949177.db2.gz BJIBKMVFZJRPGX-AYOQOUSVSA-N 1 2 374.472 2.683 20 30 FFEDLO CCCCCCC[N@H+]1C[C@]2(F)CN(C[C@@H]3COC(C)(C)O3)C(=O)[C@]2(F)C1 ZINC001275110568 1011949185 /nfs/dbraw/zinc/94/91/85/1011949185.db2.gz BJIBKMVFZJRPGX-AYOQOUSVSA-N 1 2 374.472 2.683 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC000958674607 1012071310 /nfs/dbraw/zinc/07/13/10/1012071310.db2.gz YSSSEQUDMADXCQ-RHSMWYFYSA-N 1 2 355.482 2.940 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)cc1Cl)C2 ZINC001275201900 1012072516 /nfs/dbraw/zinc/07/25/16/1012072516.db2.gz JMZUXTUVMQGAHD-SFHVURJKSA-N 1 2 367.276 2.678 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)cc1Cl)C2 ZINC001275201900 1012072529 /nfs/dbraw/zinc/07/25/29/1012072529.db2.gz JMZUXTUVMQGAHD-SFHVURJKSA-N 1 2 367.276 2.678 20 30 FFEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(O)cc(F)cc1F ZINC001275230102 1012111644 /nfs/dbraw/zinc/11/16/44/1012111644.db2.gz VSYIKVIYIZMPFE-LJQANCHMSA-N 1 2 363.408 2.931 20 30 FFEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)cc(F)cc1F ZINC001275230102 1012111653 /nfs/dbraw/zinc/11/16/53/1012111653.db2.gz VSYIKVIYIZMPFE-LJQANCHMSA-N 1 2 363.408 2.931 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1nc3ccccc3s1)C2 ZINC001275488548 1012536169 /nfs/dbraw/zinc/53/61/69/1012536169.db2.gz WKBMHUUGQGOSEX-HXUWFJFHSA-N 1 2 371.506 2.923 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1nc3ccccc3s1)C2 ZINC001275488548 1012536183 /nfs/dbraw/zinc/53/61/83/1012536183.db2.gz WKBMHUUGQGOSEX-HXUWFJFHSA-N 1 2 371.506 2.923 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cnc2n1CCCC2 ZINC001095912665 1012573846 /nfs/dbraw/zinc/57/38/46/1012573846.db2.gz ZRPUIOOECPEAPB-AABGKKOBSA-N 1 2 374.488 2.606 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cnc2n1CCCC2 ZINC001095912665 1012573856 /nfs/dbraw/zinc/57/38/56/1012573856.db2.gz ZRPUIOOECPEAPB-AABGKKOBSA-N 1 2 374.488 2.606 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Br)o1 ZINC001275571398 1012630466 /nfs/dbraw/zinc/63/04/66/1012630466.db2.gz JRMWGPWPTOZMMX-INIZCTEOSA-N 1 2 351.244 2.632 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Br)o1 ZINC001275571398 1012630475 /nfs/dbraw/zinc/63/04/75/1012630475.db2.gz JRMWGPWPTOZMMX-INIZCTEOSA-N 1 2 351.244 2.632 20 30 FFEDLO C=CCOc1ccccc1C[NH+]1CC2(C1)COCC(=O)N2CC=C(C)C ZINC001275621119 1012720032 /nfs/dbraw/zinc/72/00/32/1012720032.db2.gz ATLZGFGRMKDAMA-UHFFFAOYSA-N 1 2 356.466 2.631 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccncc2F)C3)s1 ZINC001095261551 1012996835 /nfs/dbraw/zinc/99/68/35/1012996835.db2.gz ZZHBEEHNEXHHQD-NVGVWMPQSA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccncc2F)C3)s1 ZINC001095261551 1012996845 /nfs/dbraw/zinc/99/68/45/1012996845.db2.gz ZZHBEEHNEXHHQD-NVGVWMPQSA-N 1 2 356.426 2.689 20 30 FFEDLO Cc1ncoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095270507 1013028569 /nfs/dbraw/zinc/02/85/69/1013028569.db2.gz RAWNTFZIDSRRPB-PVAVHDDUSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1ncoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001095270507 1013028585 /nfs/dbraw/zinc/02/85/85/1013028585.db2.gz RAWNTFZIDSRRPB-PVAVHDDUSA-N 1 2 354.385 2.529 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnn1C(F)F)C2 ZINC001097143166 1017102202 /nfs/dbraw/zinc/10/22/02/1017102202.db2.gz IFQBJKVEAWMPOP-OAGGEKHMSA-N 1 2 371.391 2.685 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnn1C(F)F)C2 ZINC001097143166 1017102214 /nfs/dbraw/zinc/10/22/14/1017102214.db2.gz IFQBJKVEAWMPOP-OAGGEKHMSA-N 1 2 371.391 2.685 20 30 FFEDLO Cn1nc(C2CC2)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001097159643 1017124854 /nfs/dbraw/zinc/12/48/54/1017124854.db2.gz XSDQGYUSEIWTDN-NRSPTQNISA-N 1 2 374.488 2.684 20 30 FFEDLO Cn1nc(C2CC2)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001097159643 1017124857 /nfs/dbraw/zinc/12/48/57/1017124857.db2.gz XSDQGYUSEIWTDN-NRSPTQNISA-N 1 2 374.488 2.684 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001097256541 1017253211 /nfs/dbraw/zinc/25/32/11/1017253211.db2.gz ZUUVFZWAEFEAIS-ZTTMTSROSA-N 1 2 371.456 2.734 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001097256541 1017253221 /nfs/dbraw/zinc/25/32/21/1017253221.db2.gz ZUUVFZWAEFEAIS-ZTTMTSROSA-N 1 2 371.456 2.734 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(F)c[nH]2)C3)c(F)c1 ZINC001097560378 1017622763 /nfs/dbraw/zinc/62/27/63/1017622763.db2.gz OQYATRORDLXXCC-KYJSFNMBSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(F)c[nH]2)C3)c(F)c1 ZINC001097560378 1017622779 /nfs/dbraw/zinc/62/27/79/1017622779.db2.gz OQYATRORDLXXCC-KYJSFNMBSA-N 1 2 356.376 2.700 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1 ZINC001110899792 1017645688 /nfs/dbraw/zinc/64/56/88/1017645688.db2.gz QBNBDQKQSPCMKG-AQNXPRMDSA-N 1 2 367.493 2.930 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1 ZINC001110899792 1017645691 /nfs/dbraw/zinc/64/56/91/1017645691.db2.gz QBNBDQKQSPCMKG-AQNXPRMDSA-N 1 2 367.493 2.930 20 30 FFEDLO Cc1nn(C)c(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001097606811 1017714979 /nfs/dbraw/zinc/71/49/79/1017714979.db2.gz UVRQIDVIVRDEOH-XYPHTWIQSA-N 1 2 369.494 2.505 20 30 FFEDLO Cc1nn(C)c(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001097606811 1017714996 /nfs/dbraw/zinc/71/49/96/1017714996.db2.gz UVRQIDVIVRDEOH-XYPHTWIQSA-N 1 2 369.494 2.505 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cnc(C)cn4)C[C@H]32)CCCCC1 ZINC001222062508 1032723390 /nfs/dbraw/zinc/72/33/90/1032723390.db2.gz ABOVJXFZKNTPHO-UYAOXDASSA-N 1 2 366.509 2.792 20 30 FFEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cnc(C)cn4)C[C@H]32)CCCCC1 ZINC001222062508 1032723399 /nfs/dbraw/zinc/72/33/99/1032723399.db2.gz ABOVJXFZKNTPHO-UYAOXDASSA-N 1 2 366.509 2.792 20 30 FFEDLO CCc1nc(CN2CCC[C@@H]([NH2+][C@@H](CC)c3cccc(C#N)c3O)C2)no1 ZINC000925704355 1017821092 /nfs/dbraw/zinc/82/10/92/1017821092.db2.gz GKKNSVYSDIXSGH-WBVHZDCISA-N 1 2 369.469 2.915 20 30 FFEDLO CCc1nocc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001097798868 1017944016 /nfs/dbraw/zinc/94/40/16/1017944016.db2.gz PCMHNABAFWVIQV-ZMYBRWDISA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1nocc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001097798868 1017944026 /nfs/dbraw/zinc/94/40/26/1017944026.db2.gz PCMHNABAFWVIQV-ZMYBRWDISA-N 1 2 368.412 2.783 20 30 FFEDLO Cc1ccc(CNC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1C#N ZINC000926855004 1018270041 /nfs/dbraw/zinc/27/00/41/1018270041.db2.gz GFYLAFDQKMFGMQ-QGZVFWFLSA-N 1 2 363.465 2.850 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)Nc1ccccc1 ZINC001110928792 1018646814 /nfs/dbraw/zinc/64/68/14/1018646814.db2.gz FNZXTEJPGGRGOY-AFYVEPGGSA-N 1 2 367.493 2.929 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)Nc1ccccc1 ZINC001110928792 1018646816 /nfs/dbraw/zinc/64/68/16/1018646816.db2.gz FNZXTEJPGGRGOY-AFYVEPGGSA-N 1 2 367.493 2.929 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001058242765 1018671166 /nfs/dbraw/zinc/67/11/66/1018671166.db2.gz LIAWOMMIVBHOFD-ZACQAIPSSA-N 1 2 358.486 2.585 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001096138379 1018788217 /nfs/dbraw/zinc/78/82/17/1018788217.db2.gz PVIURKOMASSMMW-DEPCRRQNSA-N 1 2 373.472 2.814 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001096138379 1018788232 /nfs/dbraw/zinc/78/82/32/1018788232.db2.gz PVIURKOMASSMMW-DEPCRRQNSA-N 1 2 373.472 2.814 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001042599376 1019079398 /nfs/dbraw/zinc/07/93/98/1019079398.db2.gz AUMNHWIYKBSJGO-RHSMWYFYSA-N 1 2 365.481 2.905 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC001042741755 1019130886 /nfs/dbraw/zinc/13/08/86/1019130886.db2.gz VQUYLHNEQQGFTM-RLLQIKCJSA-N 1 2 358.457 2.937 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](Cc2cccc(OC)c2C)C1 ZINC001042743545 1019133100 /nfs/dbraw/zinc/13/31/00/1019133100.db2.gz UYUIRIJIIQFNSM-MOPGFXCFSA-N 1 2 358.482 2.627 20 30 FFEDLO N#Cc1c(F)cccc1NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001068613826 1019324770 /nfs/dbraw/zinc/32/47/70/1019324770.db2.gz PLVPXNOZRGARRY-AAVRWANBSA-N 1 2 353.401 2.531 20 30 FFEDLO N#Cc1c(F)cccc1NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001068613826 1019324784 /nfs/dbraw/zinc/32/47/84/1019324784.db2.gz PLVPXNOZRGARRY-AAVRWANBSA-N 1 2 353.401 2.531 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1N(c1cc(C)[nH+]c(CC)n1)CC2 ZINC001069289112 1019410954 /nfs/dbraw/zinc/41/09/54/1019410954.db2.gz VUIWPNBIQCGPHD-KYFSNAEOSA-N 1 2 370.497 2.556 20 30 FFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000796634848 1019443662 /nfs/dbraw/zinc/44/36/62/1019443662.db2.gz VLZBCWOCXMBYJP-CYBMUJFWSA-N 1 2 374.391 2.781 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncccc2F)C3)cc1F ZINC001096238956 1019545671 /nfs/dbraw/zinc/54/56/71/1019545671.db2.gz SJRDAWMIYFZPJK-JLSDUUJJSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncccc2F)C3)cc1F ZINC001096238956 1019545685 /nfs/dbraw/zinc/54/56/85/1019545685.db2.gz SJRDAWMIYFZPJK-JLSDUUJJSA-N 1 2 368.387 2.767 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1C[NH+](Cc2cccc(N(C)C)c2)C1 ZINC001044026275 1019627916 /nfs/dbraw/zinc/62/79/16/1019627916.db2.gz XPPZMIWAEMZWIF-SFTDATJTSA-N 1 2 371.525 2.767 20 30 FFEDLO N#Cc1ccccc1OCc1ccc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)o1 ZINC000802233015 1019913980 /nfs/dbraw/zinc/91/39/80/1019913980.db2.gz GRGUCOIXJXDTAX-HNNXBMFYSA-N 1 2 358.369 2.931 20 30 FFEDLO N#Cc1ccccc1OCc1ccc(C(=O)O[C@H]2CC[N@H+](CCF)C2)o1 ZINC000802233015 1019913991 /nfs/dbraw/zinc/91/39/91/1019913991.db2.gz GRGUCOIXJXDTAX-HNNXBMFYSA-N 1 2 358.369 2.931 20 30 FFEDLO COC(=O)[C@@H](OC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1cccc(C#N)c1 ZINC000780087843 1019954446 /nfs/dbraw/zinc/95/44/46/1019954446.db2.gz KYAMFJSFASNJOW-MSOLQXFVSA-N 1 2 352.390 2.618 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+](CN3C[C@H]([C@H]4CCCO4)CC3=O)CC2)cc1 ZINC000902210348 1019969521 /nfs/dbraw/zinc/96/95/21/1019969521.db2.gz GZLJJSQPQLBIMC-WOJBJXKFSA-N 1 2 351.450 2.632 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C[C@H]([C@H]4CCCO4)CC3=O)CC2)cc1 ZINC000902210348 1019969527 /nfs/dbraw/zinc/96/95/27/1019969527.db2.gz GZLJJSQPQLBIMC-WOJBJXKFSA-N 1 2 351.450 2.632 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccc3[nH]ccc31)C2 ZINC001096033666 1020015929 /nfs/dbraw/zinc/01/59/29/1020015929.db2.gz LIQWJASPFIUROR-UXPWSPDFSA-N 1 2 371.444 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccc3[nH]ccc31)C2 ZINC001096033666 1020015942 /nfs/dbraw/zinc/01/59/42/1020015942.db2.gz LIQWJASPFIUROR-UXPWSPDFSA-N 1 2 371.444 2.970 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC(C)(C)C ZINC001110989292 1020021798 /nfs/dbraw/zinc/02/17/98/1020021798.db2.gz KGVKASPIDQMJOK-PZTGFMGMSA-N 1 2 363.546 2.863 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC(C)(C)C ZINC001110989292 1020021811 /nfs/dbraw/zinc/02/18/11/1020021811.db2.gz KGVKASPIDQMJOK-PZTGFMGMSA-N 1 2 363.546 2.863 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCC1 ZINC001110989760 1020022817 /nfs/dbraw/zinc/02/28/17/1020022817.db2.gz VKDLVGVUEGHAIW-WIRSXHRWSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCC1 ZINC001110989760 1020022828 /nfs/dbraw/zinc/02/28/28/1020022828.db2.gz VKDLVGVUEGHAIW-WIRSXHRWSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC001045589142 1020049872 /nfs/dbraw/zinc/04/98/72/1020049872.db2.gz KOMDTNHQWVAIIH-HZPDHXFCSA-N 1 2 367.453 2.898 20 30 FFEDLO CC(C)n1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)cn1 ZINC001096326430 1020070879 /nfs/dbraw/zinc/07/08/79/1020070879.db2.gz QKPAQKIESKHBEN-JLSDUUJJSA-N 1 2 369.494 2.932 20 30 FFEDLO CC(C)n1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)cn1 ZINC001096326430 1020070893 /nfs/dbraw/zinc/07/08/93/1020070893.db2.gz QKPAQKIESKHBEN-JLSDUUJJSA-N 1 2 369.494 2.932 20 30 FFEDLO COCC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001111428876 1020074720 /nfs/dbraw/zinc/07/47/20/1020074720.db2.gz ONBJLWLESGDKPK-QVSURHGTSA-N 1 2 359.445 2.591 20 30 FFEDLO COCC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001111428876 1020074729 /nfs/dbraw/zinc/07/47/29/1020074729.db2.gz ONBJLWLESGDKPK-QVSURHGTSA-N 1 2 359.445 2.591 20 30 FFEDLO C[C@@H](CC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC001048364248 1020164337 /nfs/dbraw/zinc/16/43/37/1020164337.db2.gz VTVFXICFPRZEHZ-RYRKJORJSA-N 1 2 366.469 2.840 20 30 FFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(C#N)cn1 ZINC001048376540 1020180966 /nfs/dbraw/zinc/18/09/66/1020180966.db2.gz SVCOPTFRYIRLPZ-RKVPGOIHSA-N 1 2 366.469 2.594 20 30 FFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(C#N)cn1 ZINC001048376540 1020180975 /nfs/dbraw/zinc/18/09/75/1020180975.db2.gz SVCOPTFRYIRLPZ-RKVPGOIHSA-N 1 2 366.469 2.594 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)c1cccnc1 ZINC001096371919 1020256106 /nfs/dbraw/zinc/25/61/06/1020256106.db2.gz ZEEOOSHWJKOVRA-IDCXYZFESA-N 1 2 360.461 2.978 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)c1cccnc1 ZINC001096371919 1020256112 /nfs/dbraw/zinc/25/61/12/1020256112.db2.gz ZEEOOSHWJKOVRA-IDCXYZFESA-N 1 2 360.461 2.978 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000725804044 1020263702 /nfs/dbraw/zinc/26/37/02/1020263702.db2.gz UOOJUUOHJMWXDF-IBGZPJMESA-N 1 2 361.367 2.831 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)c2ccco2)C1 ZINC001111002152 1020277517 /nfs/dbraw/zinc/27/75/17/1020277517.db2.gz XGBBCKDOJJRLOO-VQHPVUNQSA-N 1 2 371.481 2.535 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)c2ccco2)C1 ZINC001111002152 1020277524 /nfs/dbraw/zinc/27/75/24/1020277524.db2.gz XGBBCKDOJJRLOO-VQHPVUNQSA-N 1 2 371.481 2.535 20 30 FFEDLO C=CC(C)(C)CC(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001073123620 1020379457 /nfs/dbraw/zinc/37/94/57/1020379457.db2.gz DNQYENUKMXGOTN-HUUCEWRRSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CC(C)(C)CC(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001073123620 1020379473 /nfs/dbraw/zinc/37/94/73/1020379473.db2.gz DNQYENUKMXGOTN-HUUCEWRRSA-N 1 2 358.486 2.613 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2CC=C)CC1 ZINC000800773509 1020539180 /nfs/dbraw/zinc/53/91/80/1020539180.db2.gz JKSDDHYTEXXDPM-UHFFFAOYSA-N 1 2 372.476 2.743 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001096435400 1020578907 /nfs/dbraw/zinc/57/89/07/1020578907.db2.gz XVPYYIBBLAHBAK-QYZOEREBSA-N 1 2 365.502 2.897 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001096435400 1020578911 /nfs/dbraw/zinc/57/89/11/1020578911.db2.gz XVPYYIBBLAHBAK-QYZOEREBSA-N 1 2 365.502 2.897 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001073700568 1020608113 /nfs/dbraw/zinc/60/81/13/1020608113.db2.gz QJBZKWDDINMJAD-CMKODMSKSA-N 1 2 362.901 2.924 20 30 FFEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001073700568 1020608116 /nfs/dbraw/zinc/60/81/16/1020608116.db2.gz QJBZKWDDINMJAD-CMKODMSKSA-N 1 2 362.901 2.924 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cncc(C)c3)C[C@@H]21 ZINC001217966253 1032923067 /nfs/dbraw/zinc/92/30/67/1032923067.db2.gz LAOIRSSSTGTVNM-VQTJNVASSA-N 1 2 355.482 2.570 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3cncc(C)c3)C[C@@H]21 ZINC001217966253 1032923082 /nfs/dbraw/zinc/92/30/82/1032923082.db2.gz LAOIRSSSTGTVNM-VQTJNVASSA-N 1 2 355.482 2.570 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@](C)(NC(=O)[C@@H]3C[C@H]3CCC)C2)c1 ZINC001046606915 1020715002 /nfs/dbraw/zinc/71/50/02/1020715002.db2.gz LGYBEQDBEBIVGZ-SFGWALBWSA-N 1 2 367.493 2.623 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@](C)(NC(=O)[C@@H]3C[C@H]3CCC)C2)c1 ZINC001046606915 1020715009 /nfs/dbraw/zinc/71/50/09/1020715009.db2.gz LGYBEQDBEBIVGZ-SFGWALBWSA-N 1 2 367.493 2.623 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(F)cc(F)c2)nc1 ZINC001098237148 1020753612 /nfs/dbraw/zinc/75/36/12/1020753612.db2.gz DUUCLWBTJSIHCE-RLLQIKCJSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(F)cc(F)c2)nc1 ZINC001098237148 1020753619 /nfs/dbraw/zinc/75/36/19/1020753619.db2.gz DUUCLWBTJSIHCE-RLLQIKCJSA-N 1 2 367.399 2.876 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)no1 ZINC001098243284 1020757911 /nfs/dbraw/zinc/75/79/11/1020757911.db2.gz KQGAHNGAYLPOKF-BJZITVGISA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)no1 ZINC001098243284 1020757918 /nfs/dbraw/zinc/75/79/18/1020757918.db2.gz KQGAHNGAYLPOKF-BJZITVGISA-N 1 2 368.412 2.783 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ncc(C)o1 ZINC001098286761 1020794699 /nfs/dbraw/zinc/79/46/99/1020794699.db2.gz OEIHSMGQNIKOCP-OBZTUIKSSA-N 1 2 363.461 2.990 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ncc(C)o1 ZINC001098286761 1020794705 /nfs/dbraw/zinc/79/47/05/1020794705.db2.gz OEIHSMGQNIKOCP-OBZTUIKSSA-N 1 2 363.461 2.990 20 30 FFEDLO CCOC(=O)[C@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000932645705 1020862932 /nfs/dbraw/zinc/86/29/32/1020862932.db2.gz CCYRRCLOACCONA-HNNXBMFYSA-N 1 2 353.422 2.623 20 30 FFEDLO CCOC(=O)[C@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000932645705 1020862937 /nfs/dbraw/zinc/86/29/37/1020862937.db2.gz CCYRRCLOACCONA-HNNXBMFYSA-N 1 2 353.422 2.623 20 30 FFEDLO C#Cc1ccc(NC(=O)N2CC[NH+](CCc3cnccn3)CC2)c(Cl)c1 ZINC000933353262 1021000176 /nfs/dbraw/zinc/00/01/76/1021000176.db2.gz QSWIRMDBXWNAHU-UHFFFAOYSA-N 1 2 369.856 2.504 20 30 FFEDLO Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 ZINC000933624405 1021050940 /nfs/dbraw/zinc/05/09/40/1021050940.db2.gz IBCTUTATVUARCD-TZIWHRDSSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 ZINC000933624405 1021050943 /nfs/dbraw/zinc/05/09/43/1021050943.db2.gz IBCTUTATVUARCD-TZIWHRDSSA-N 1 2 352.434 2.680 20 30 FFEDLO COc1ccc(OC)c([C@@H](O)C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c1 ZINC000933625415 1021052041 /nfs/dbraw/zinc/05/20/41/1021052041.db2.gz SRHMWGPZAOBBLU-FPOVZHCZSA-N 1 2 368.433 2.682 20 30 FFEDLO COc1ccc(OC)c([C@@H](O)C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c1 ZINC000933625415 1021052043 /nfs/dbraw/zinc/05/20/43/1021052043.db2.gz SRHMWGPZAOBBLU-FPOVZHCZSA-N 1 2 368.433 2.682 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2csnc2C)C1 ZINC001098800549 1021159657 /nfs/dbraw/zinc/15/96/57/1021159657.db2.gz HOULFYFBCREAIY-WFASDCNBSA-N 1 2 370.316 2.944 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2csnc2C)C1 ZINC001098800549 1021159661 /nfs/dbraw/zinc/15/96/61/1021159661.db2.gz HOULFYFBCREAIY-WFASDCNBSA-N 1 2 370.316 2.944 20 30 FFEDLO C=C(C)CCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(OC)c(F)c3)C[C@@H]21 ZINC001218032693 1032963597 /nfs/dbraw/zinc/96/35/97/1032963597.db2.gz ZWPDJFPSRHTQCB-PKOBYXMFSA-N 1 2 362.445 2.602 20 30 FFEDLO C=C(C)CCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(OC)c(F)c3)C[C@@H]21 ZINC001218032693 1032963607 /nfs/dbraw/zinc/96/36/07/1032963607.db2.gz ZWPDJFPSRHTQCB-PKOBYXMFSA-N 1 2 362.445 2.602 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(F)c[nH]2)C1 ZINC001098949309 1021464928 /nfs/dbraw/zinc/46/49/28/1021464928.db2.gz RVJLUCPTCIHDDS-YWZLYKJASA-N 1 2 370.403 2.949 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(F)c[nH]2)C1 ZINC001098949309 1021464935 /nfs/dbraw/zinc/46/49/35/1021464935.db2.gz RVJLUCPTCIHDDS-YWZLYKJASA-N 1 2 370.403 2.949 20 30 FFEDLO C#Cc1ccc(NC(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)cc1 ZINC000934918417 1021467637 /nfs/dbraw/zinc/46/76/37/1021467637.db2.gz NMYLJVXETBSJNC-UHFFFAOYSA-N 1 2 357.454 2.596 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cscn2)C3)cc1 ZINC001098972392 1021510714 /nfs/dbraw/zinc/51/07/14/1021510714.db2.gz BJSBBCABUSOECY-PXNSSMCTSA-N 1 2 351.475 2.909 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cscn2)C3)cc1 ZINC001098972392 1021510721 /nfs/dbraw/zinc/51/07/21/1021510721.db2.gz BJSBBCABUSOECY-PXNSSMCTSA-N 1 2 351.475 2.909 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C3)nc1 ZINC001099128046 1021880178 /nfs/dbraw/zinc/88/01/78/1021880178.db2.gz VZCIMPXMVDZVNY-OOHATYIOSA-N 1 2 364.276 2.966 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](C/C(Cl)=C\Cl)C3)nc1 ZINC001099128046 1021880189 /nfs/dbraw/zinc/88/01/89/1021880189.db2.gz VZCIMPXMVDZVNY-OOHATYIOSA-N 1 2 364.276 2.966 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000115543578 1022338962 /nfs/dbraw/zinc/33/89/62/1022338962.db2.gz WWJKIFGDHWBFRP-PMACEKPBSA-N 1 2 367.424 2.669 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2ccco2)cc1C#N ZINC001038731278 1022695188 /nfs/dbraw/zinc/69/51/88/1022695188.db2.gz HJWKANBLLJBQHM-RCCFBDPRSA-N 1 2 365.433 2.654 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2ccco2)cc1C#N ZINC001038731278 1022695191 /nfs/dbraw/zinc/69/51/91/1022695191.db2.gz HJWKANBLLJBQHM-RCCFBDPRSA-N 1 2 365.433 2.654 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COc3ccc(F)cc3C1)C2 ZINC001095756928 1022742806 /nfs/dbraw/zinc/74/28/06/1022742806.db2.gz HIIUIJJNEFJHMT-SIXLDLHFSA-N 1 2 364.848 2.851 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COc3ccc(F)cc3C1)C2 ZINC001095756928 1022742816 /nfs/dbraw/zinc/74/28/16/1022742816.db2.gz HIIUIJJNEFJHMT-SIXLDLHFSA-N 1 2 364.848 2.851 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)nc(-c3ccc(Cl)cc3)n2)CC1 ZINC000751817482 1022951029 /nfs/dbraw/zinc/95/10/29/1022951029.db2.gz DDCAXFVCDYPZRS-UHFFFAOYSA-N 1 2 368.868 2.887 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCc2ccc(O)cc2C1 ZINC001122529783 1023321972 /nfs/dbraw/zinc/32/19/72/1023321972.db2.gz NPXKUJWOXSVVPX-SFHVURJKSA-N 1 2 353.470 2.889 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCc2ccc(O)cc2C1 ZINC001122529783 1023321978 /nfs/dbraw/zinc/32/19/78/1023321978.db2.gz NPXKUJWOXSVVPX-SFHVURJKSA-N 1 2 353.470 2.889 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)COc2cc(C)cc(C)c2)c1 ZINC000076748884 1023361124 /nfs/dbraw/zinc/36/11/24/1023361124.db2.gz SVNKGWVRBBLYDY-FQEVSTJZSA-N 1 2 366.461 2.595 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)COc2cc(C)cc(C)c2)c1 ZINC000076748884 1023361133 /nfs/dbraw/zinc/36/11/33/1023361133.db2.gz SVNKGWVRBBLYDY-FQEVSTJZSA-N 1 2 366.461 2.595 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@H](C)O[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000753831180 1023388283 /nfs/dbraw/zinc/38/82/83/1023388283.db2.gz ZDIBNSGKBHZBOC-ZDUSSCGKSA-N 1 2 369.421 2.603 20 30 FFEDLO C[C@@H]1CC(=NN2C(=S)N=NC2[C@H]2COc3ccccc3O2)C[N@@H+]1C1CC1 ZINC000753955446 1023406099 /nfs/dbraw/zinc/40/60/99/1023406099.db2.gz OWVJZHBFBFNMOP-BDJLRTHQSA-N 1 2 371.466 2.540 20 30 FFEDLO C[C@@H]1CC(=NN2C(=S)N=NC2[C@H]2COc3ccccc3O2)C[N@H+]1C1CC1 ZINC000753955446 1023406101 /nfs/dbraw/zinc/40/61/01/1023406101.db2.gz OWVJZHBFBFNMOP-BDJLRTHQSA-N 1 2 371.466 2.540 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCOC[C@H](C)C2)c1C#N ZINC000754384726 1023462751 /nfs/dbraw/zinc/46/27/51/1023462751.db2.gz IGHVHGRVFBCMGE-CQSZACIVSA-N 1 2 358.486 2.999 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCOC[C@H](C)C2)c1C#N ZINC000754384726 1023462752 /nfs/dbraw/zinc/46/27/52/1023462752.db2.gz IGHVHGRVFBCMGE-CQSZACIVSA-N 1 2 358.486 2.999 20 30 FFEDLO C=CC(C)(C)NC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001121162134 1023632480 /nfs/dbraw/zinc/63/24/80/1023632480.db2.gz OPQWWWGUJLXELX-UHFFFAOYSA-N 1 2 350.422 2.621 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C(C)C)n3C)[C@H]2C1 ZINC001222782133 1033159152 /nfs/dbraw/zinc/15/91/52/1033159152.db2.gz YLBKLHBNZABPEN-SJORKVTESA-N 1 2 359.518 2.718 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C(C)C)n3C)[C@H]2C1 ZINC001222782133 1033159155 /nfs/dbraw/zinc/15/91/55/1033159155.db2.gz YLBKLHBNZABPEN-SJORKVTESA-N 1 2 359.518 2.718 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001121414571 1023760415 /nfs/dbraw/zinc/76/04/15/1023760415.db2.gz BVHVXJFFNDYULQ-UHFFFAOYSA-N 1 2 357.506 2.674 20 30 FFEDLO C=CCN(CCc1ccco1)c1nnc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1C ZINC001121433893 1023772259 /nfs/dbraw/zinc/77/22/59/1023772259.db2.gz MZDBMXIETHVWJB-AEFFLSMTSA-N 1 2 371.485 2.569 20 30 FFEDLO C=CCN(CCc1ccco1)c1nnc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)n1C ZINC001121433893 1023772263 /nfs/dbraw/zinc/77/22/63/1023772263.db2.gz MZDBMXIETHVWJB-AEFFLSMTSA-N 1 2 371.485 2.569 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc([C@]2(C)C[C@@H](O)C[N@H+]2C)n1CC1CC1 ZINC001123514612 1023842999 /nfs/dbraw/zinc/84/29/99/1023842999.db2.gz DVFGRQIAEXWNGD-HLIPFELVSA-N 1 2 359.518 2.535 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc([C@]2(C)C[C@@H](O)C[N@@H+]2C)n1CC1CC1 ZINC001123514612 1023843002 /nfs/dbraw/zinc/84/30/02/1023843002.db2.gz DVFGRQIAEXWNGD-HLIPFELVSA-N 1 2 359.518 2.535 20 30 FFEDLO C=CCn1c(N2CCc3ccsc3[C@@H]2C)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121607591 1023877591 /nfs/dbraw/zinc/87/75/91/1023877591.db2.gz OYKRMPPGHSRIML-ZUEVXXBESA-N 1 2 373.526 2.561 20 30 FFEDLO C=CCn1c(N2CCc3ccsc3[C@@H]2C)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001121607591 1023877595 /nfs/dbraw/zinc/87/75/95/1023877595.db2.gz OYKRMPPGHSRIML-ZUEVXXBESA-N 1 2 373.526 2.561 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001121613041 1023881391 /nfs/dbraw/zinc/88/13/91/1023881391.db2.gz SLXKWSXKHSXVOZ-ROUUACIJSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001121613041 1023881394 /nfs/dbraw/zinc/88/13/94/1023881394.db2.gz SLXKWSXKHSXVOZ-ROUUACIJSA-N 1 2 359.518 2.874 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CC(F)(F)F ZINC001121684594 1023926125 /nfs/dbraw/zinc/92/61/25/1023926125.db2.gz OUEWLUIDSCGNKS-UHFFFAOYSA-N 1 2 356.396 2.556 20 30 FFEDLO C#CC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000192231082 1024034197 /nfs/dbraw/zinc/03/41/97/1024034197.db2.gz OKNYOWWGTXACOF-UHFFFAOYSA-N 1 2 352.413 2.668 20 30 FFEDLO C#CC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000192231082 1024034212 /nfs/dbraw/zinc/03/42/12/1024034212.db2.gz OKNYOWWGTXACOF-UHFFFAOYSA-N 1 2 352.413 2.668 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001121800624 1024038394 /nfs/dbraw/zinc/03/83/94/1024038394.db2.gz JZJAYKPZESZXHG-GOSISDBHSA-N 1 2 374.533 2.642 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3c(C)onc3CC)C[C@@H]21 ZINC001218522619 1033199386 /nfs/dbraw/zinc/19/93/86/1033199386.db2.gz CORQJWHEVCSNEB-ZYSHUDEJSA-N 1 2 361.486 2.559 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3c(C)onc3CC)C[C@@H]21 ZINC001218522619 1033199395 /nfs/dbraw/zinc/19/93/95/1033199395.db2.gz CORQJWHEVCSNEB-ZYSHUDEJSA-N 1 2 361.486 2.559 20 30 FFEDLO C=CCN(CCOC)c1nnc([C@@H]2CCC[N@@H+]2C)n1Cc1ccccc1 ZINC001122077294 1024321338 /nfs/dbraw/zinc/32/13/38/1024321338.db2.gz NGWGDFXFJGATCP-SFHVURJKSA-N 1 2 355.486 2.732 20 30 FFEDLO C=CCN(CCOC)c1nnc([C@@H]2CCC[N@H+]2C)n1Cc1ccccc1 ZINC001122077294 1024321354 /nfs/dbraw/zinc/32/13/54/1024321354.db2.gz NGWGDFXFJGATCP-SFHVURJKSA-N 1 2 355.486 2.732 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@@H+]([C@H](C)c3csnn3)C[C@@]2(C)C1 ZINC001101325262 1024454237 /nfs/dbraw/zinc/45/42/37/1024454237.db2.gz MJNPBRYIBFLLAV-MDZRGWNJSA-N 1 2 360.527 2.963 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@H+]([C@H](C)c3csnn3)C[C@@]2(C)C1 ZINC001101325262 1024454241 /nfs/dbraw/zinc/45/42/41/1024454241.db2.gz MJNPBRYIBFLLAV-MDZRGWNJSA-N 1 2 360.527 2.963 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nnc(CC)s3)C[C@@]2(C)C1 ZINC001101337941 1024487937 /nfs/dbraw/zinc/48/79/37/1024487937.db2.gz RGDSGWHLPYGLRX-CLCXKQKWSA-N 1 2 362.543 2.983 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(CC)s3)C[C@@]2(C)C1 ZINC001101337941 1024487940 /nfs/dbraw/zinc/48/79/40/1024487940.db2.gz RGDSGWHLPYGLRX-CLCXKQKWSA-N 1 2 362.543 2.983 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CCC4)n3C)C[C@@]2(C)C1 ZINC001101347862 1024514240 /nfs/dbraw/zinc/51/42/40/1024514240.db2.gz MGJBYGJAIROMSH-UTKZUKDTSA-N 1 2 371.529 2.719 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CCC4)n3C)C[C@@]2(C)C1 ZINC001101347862 1024514246 /nfs/dbraw/zinc/51/42/46/1024514246.db2.gz MGJBYGJAIROMSH-UTKZUKDTSA-N 1 2 371.529 2.719 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(CCC)no3)C[C@@]2(C)C1 ZINC001101377809 1024584575 /nfs/dbraw/zinc/58/45/75/1024584575.db2.gz JEPMNYYUCFCIGP-QRWLVFNGSA-N 1 2 360.502 2.905 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nc(CCC)no3)C[C@@]2(C)C1 ZINC001101377809 1024584578 /nfs/dbraw/zinc/58/45/78/1024584578.db2.gz JEPMNYYUCFCIGP-QRWLVFNGSA-N 1 2 360.502 2.905 20 30 FFEDLO C#CCCCCCC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000779777886 1024647025 /nfs/dbraw/zinc/64/70/25/1024647025.db2.gz VRFGAQJJWVKHCF-UHFFFAOYSA-N 1 2 355.482 2.789 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC000951699490 1024661876 /nfs/dbraw/zinc/66/18/76/1024661876.db2.gz GJJFPOUXYXXVDP-ICSRJNTNSA-N 1 2 358.482 2.629 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2nn(C)cc2Cl)C[C@H]1C ZINC001102006790 1025287433 /nfs/dbraw/zinc/28/74/33/1025287433.db2.gz USUKFNRYYMCPGO-ZIAGYGMSSA-N 1 2 352.910 2.860 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@H+](Cc2nn(C)cc2Cl)C[C@H]1C ZINC001102006790 1025287443 /nfs/dbraw/zinc/28/74/43/1025287443.db2.gz USUKFNRYYMCPGO-ZIAGYGMSSA-N 1 2 352.910 2.860 20 30 FFEDLO N#Cc1cc(F)ccc1C[NH+]1CCC2(C[C@H](c3ccncc3)C(=O)N2)CC1 ZINC001141165570 1025550531 /nfs/dbraw/zinc/55/05/31/1025550531.db2.gz BUIBVVHYQKXAOE-LJQANCHMSA-N 1 2 364.424 2.731 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ncnn2CC(C)C)C[C@H]1C ZINC001102219614 1025602310 /nfs/dbraw/zinc/60/23/10/1025602310.db2.gz OGWYKPWQOJSRAP-IAGOWNOFSA-N 1 2 361.534 2.721 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ncnn2CC(C)C)C[C@H]1C ZINC001102219614 1025602317 /nfs/dbraw/zinc/60/23/17/1025602317.db2.gz OGWYKPWQOJSRAP-IAGOWNOFSA-N 1 2 361.534 2.721 20 30 FFEDLO CC(C)(C)OC(=O)N1CCN(Cc2cccc(-n3cc[nH+]c3)c2)C[C@H]1C#N ZINC001141242861 1025660960 /nfs/dbraw/zinc/66/09/60/1025660960.db2.gz MGFRPQZVVCHFRG-GOSISDBHSA-N 1 2 367.453 2.817 20 30 FFEDLO C[C@@H](c1csnn1)[N@H+]1C[C@@H](CNC(=O)CC#Cc2ccccc2)[C@H](C)C1 ZINC001102592608 1026373177 /nfs/dbraw/zinc/37/31/77/1026373177.db2.gz HSOXKKGOKNLFOZ-SOLBZPMBSA-N 1 2 368.506 2.725 20 30 FFEDLO C[C@@H](c1csnn1)[N@@H+]1C[C@@H](CNC(=O)CC#Cc2ccccc2)[C@H](C)C1 ZINC001102592608 1026373186 /nfs/dbraw/zinc/37/31/86/1026373186.db2.gz HSOXKKGOKNLFOZ-SOLBZPMBSA-N 1 2 368.506 2.725 20 30 FFEDLO C#CCC1(C(=O)NC[C@@H]2C[N@@H+](Cc3csnn3)C[C@H]2C)CCCCC1 ZINC001102608298 1026420182 /nfs/dbraw/zinc/42/01/82/1026420182.db2.gz WELLQMLCSAPENW-HZPDHXFCSA-N 1 2 360.527 2.696 20 30 FFEDLO C#CCC1(C(=O)NC[C@@H]2C[N@H+](Cc3csnn3)C[C@H]2C)CCCCC1 ZINC001102608298 1026420186 /nfs/dbraw/zinc/42/01/86/1026420186.db2.gz WELLQMLCSAPENW-HZPDHXFCSA-N 1 2 360.527 2.696 20 30 FFEDLO C#CC[N@@H+](Cc1nnc2n1c1ccccc1c(=O)n2CC)C1CCCCC1 ZINC000839469325 1026690528 /nfs/dbraw/zinc/69/05/28/1026690528.db2.gz GMKDWSFLLQPVCY-UHFFFAOYSA-N 1 2 363.465 2.832 20 30 FFEDLO C#CC[N@H+](Cc1nnc2n1c1ccccc1c(=O)n2CC)C1CCCCC1 ZINC000839469325 1026690530 /nfs/dbraw/zinc/69/05/30/1026690530.db2.gz GMKDWSFLLQPVCY-UHFFFAOYSA-N 1 2 363.465 2.832 20 30 FFEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000839602886 1026754813 /nfs/dbraw/zinc/75/48/13/1026754813.db2.gz ZXKGGLXBJOZQPQ-INIZCTEOSA-N 1 2 350.418 2.920 20 30 FFEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000839602886 1026754824 /nfs/dbraw/zinc/75/48/24/1026754824.db2.gz ZXKGGLXBJOZQPQ-INIZCTEOSA-N 1 2 350.418 2.920 20 30 FFEDLO C#CCCCC(=O)NCC[C@@H]1C[N@@H+](Cc2noc(C(C)(C)C)n2)C[C@H]1C ZINC001102915997 1026781028 /nfs/dbraw/zinc/78/10/28/1026781028.db2.gz VITVVTYFELKHEZ-HZPDHXFCSA-N 1 2 360.502 2.745 20 30 FFEDLO C#CCCCC(=O)NCC[C@@H]1C[N@H+](Cc2noc(C(C)(C)C)n2)C[C@H]1C ZINC001102915997 1026781032 /nfs/dbraw/zinc/78/10/32/1026781032.db2.gz VITVVTYFELKHEZ-HZPDHXFCSA-N 1 2 360.502 2.745 20 30 FFEDLO C=CCN1CCN(C[N@@H+](C)Cc2ccc(OC(F)F)c(OCC)c2)C1=O ZINC000839959097 1026883237 /nfs/dbraw/zinc/88/32/37/1026883237.db2.gz CPDIUXCGHNKRJQ-UHFFFAOYSA-N 1 2 369.412 3.000 20 30 FFEDLO C=CCN1CCN(C[N@H+](C)Cc2ccc(OC(F)F)c(OCC)c2)C1=O ZINC000839959097 1026883244 /nfs/dbraw/zinc/88/32/44/1026883244.db2.gz CPDIUXCGHNKRJQ-UHFFFAOYSA-N 1 2 369.412 3.000 20 30 FFEDLO CSc1nc(C[N@@H+]2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141931782 1027171769 /nfs/dbraw/zinc/17/17/69/1027171769.db2.gz LMOOJLZRWZEHAR-UGSOOPFHSA-N 1 2 360.483 2.774 20 30 FFEDLO CSc1nc(C[N@H+]2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141931782 1027171778 /nfs/dbraw/zinc/17/17/78/1027171778.db2.gz LMOOJLZRWZEHAR-UGSOOPFHSA-N 1 2 360.483 2.774 20 30 FFEDLO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)o1 ZINC001159098651 1027264960 /nfs/dbraw/zinc/26/49/60/1027264960.db2.gz SQSHEYCUKIRWAM-HOTGVXAUSA-N 1 2 369.396 2.598 20 30 FFEDLO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)o1 ZINC001159098651 1027264977 /nfs/dbraw/zinc/26/49/77/1027264977.db2.gz SQSHEYCUKIRWAM-HOTGVXAUSA-N 1 2 369.396 2.598 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001153887862 1028049778 /nfs/dbraw/zinc/04/97/78/1028049778.db2.gz SEUOXQZSOCZHBZ-CLCXKQKWSA-N 1 2 361.461 2.839 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001153887862 1028049796 /nfs/dbraw/zinc/04/97/96/1028049796.db2.gz SEUOXQZSOCZHBZ-CLCXKQKWSA-N 1 2 361.461 2.839 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(F)(F)C(F)F)C1 ZINC001104034987 1028496434 /nfs/dbraw/zinc/49/64/34/1028496434.db2.gz DPKUEUALKIVNCP-ZIAGYGMSSA-N 1 2 368.415 2.944 20 30 FFEDLO CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000796157947 1028618349 /nfs/dbraw/zinc/61/83/49/1028618349.db2.gz MYJIBAYPBBNEMQ-GOSISDBHSA-N 1 2 372.469 2.878 20 30 FFEDLO CCCCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000796157947 1028618359 /nfs/dbraw/zinc/61/83/59/1028618359.db2.gz MYJIBAYPBBNEMQ-GOSISDBHSA-N 1 2 372.469 2.878 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C(C)(C)C)on1 ZINC001155326181 1028676487 /nfs/dbraw/zinc/67/64/87/1028676487.db2.gz STHYEQGKINRKGB-OIISXLGYSA-N 1 2 363.502 2.890 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(C(C)(C)C)on1 ZINC001155326181 1028676498 /nfs/dbraw/zinc/67/64/98/1028676498.db2.gz STHYEQGKINRKGB-OIISXLGYSA-N 1 2 363.502 2.890 20 30 FFEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H](O)c2ccc(C#N)cc2)c(C)c1 ZINC000780994193 1028920429 /nfs/dbraw/zinc/92/04/29/1028920429.db2.gz SAADHOHGCPCFHG-NHCUHLMSSA-N 1 2 374.444 2.963 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001156320967 1029144876 /nfs/dbraw/zinc/14/48/76/1029144876.db2.gz KDBVVHNLHZJDDS-VIFPVBQESA-N 1 2 358.179 2.783 20 30 FFEDLO CC[C@H]1COCC[N@@H+]1CCNc1cc(Br)c(C#N)cc1F ZINC001164067307 1029162298 /nfs/dbraw/zinc/16/22/98/1029162298.db2.gz LENUMWNRMGGTRY-LBPRGKRZSA-N 1 2 356.239 2.983 20 30 FFEDLO CC[C@H]1COCC[N@H+]1CCNc1cc(Br)c(C#N)cc1F ZINC001164067307 1029162309 /nfs/dbraw/zinc/16/23/09/1029162309.db2.gz LENUMWNRMGGTRY-LBPRGKRZSA-N 1 2 356.239 2.983 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(CCC)s1)C2 ZINC001111729440 1029254098 /nfs/dbraw/zinc/25/40/98/1029254098.db2.gz PALDEVCTBPKHBB-KXBFYZLASA-N 1 2 360.527 2.765 20 30 FFEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(CCC)s1)C2 ZINC001111729440 1029254108 /nfs/dbraw/zinc/25/41/08/1029254108.db2.gz PALDEVCTBPKHBB-KXBFYZLASA-N 1 2 360.527 2.765 20 30 FFEDLO CC(C)c1noc([C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)n1 ZINC001111741719 1029307543 /nfs/dbraw/zinc/30/75/43/1029307543.db2.gz MBMUXRKHUQBLKA-IIMJZQEZSA-N 1 2 356.470 2.638 20 30 FFEDLO CC(C)c1noc([C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)n1 ZINC001111741719 1029307561 /nfs/dbraw/zinc/30/75/61/1029307561.db2.gz MBMUXRKHUQBLKA-IIMJZQEZSA-N 1 2 356.470 2.638 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1CC)C2 ZINC001111757690 1029357372 /nfs/dbraw/zinc/35/73/72/1029357372.db2.gz KRBFNPUWICCJNJ-PXNSSMCTSA-N 1 2 357.502 2.537 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1CC)C2 ZINC001111757690 1029357389 /nfs/dbraw/zinc/35/73/89/1029357389.db2.gz KRBFNPUWICCJNJ-PXNSSMCTSA-N 1 2 357.502 2.537 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(C3CC3)nn1C)C2 ZINC001111765190 1029385138 /nfs/dbraw/zinc/38/51/38/1029385138.db2.gz YPULKYKNKJJFKK-JXFKEZNVSA-N 1 2 357.502 2.520 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(C3CC3)nn1C)C2 ZINC001111765190 1029385151 /nfs/dbraw/zinc/38/51/51/1029385151.db2.gz YPULKYKNKJJFKK-JXFKEZNVSA-N 1 2 357.502 2.520 20 30 FFEDLO N#Cc1c[nH]c2c1cccc2C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001157167247 1029490521 /nfs/dbraw/zinc/49/05/21/1029490521.db2.gz RLAXLVSZROYMJA-UHFFFAOYSA-N 1 2 374.444 2.876 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(CCC)no1)C2 ZINC001111846135 1029608883 /nfs/dbraw/zinc/60/88/83/1029608883.db2.gz RWIFEYBKFGRGGY-JXFKEZNVSA-N 1 2 358.486 2.686 20 30 FFEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(CCC)no1)C2 ZINC001111846135 1029608888 /nfs/dbraw/zinc/60/88/88/1029608888.db2.gz RWIFEYBKFGRGGY-JXFKEZNVSA-N 1 2 358.486 2.686 20 30 FFEDLO COc1ccc(OCCO[NH+]=C(N)c2ccc(F)c(C)c2)c([N+](=O)[O-])c1 ZINC000782319992 1029655465 /nfs/dbraw/zinc/65/54/65/1029655465.db2.gz RZJSUZHOQFLQOO-UHFFFAOYSA-N 1 2 363.345 2.767 20 30 FFEDLO C=C[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)o1)C2)c1ccccc1 ZINC001112001300 1029850467 /nfs/dbraw/zinc/85/04/67/1029850467.db2.gz QOKGHPIRUXMVSC-UEXGIBASSA-N 1 2 366.465 2.819 20 30 FFEDLO C=C[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)o1)C2)c1ccccc1 ZINC001112001300 1029850472 /nfs/dbraw/zinc/85/04/72/1029850472.db2.gz QOKGHPIRUXMVSC-UEXGIBASSA-N 1 2 366.465 2.819 20 30 FFEDLO O=C(C#CC1CC1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C/C(Cl)=C/Cl)C1 ZINC001112098916 1030000669 /nfs/dbraw/zinc/00/06/69/1030000669.db2.gz ZHLVYVPSEWWLBK-XRHVUQDBSA-N 1 2 355.187 2.698 20 30 FFEDLO N#CCc1cc[nH+]c(N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)c1 ZINC001165706584 1030092478 /nfs/dbraw/zinc/09/24/78/1030092478.db2.gz RVNZGQXTZBADQU-PZJWPPBQSA-N 1 2 364.449 2.887 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12CN(c1cc(N(CC)CC)[nH+]cn1)CCO2 ZINC001166368473 1030387396 /nfs/dbraw/zinc/38/73/96/1030387396.db2.gz XDCXMHKVNHUBJT-YLJYHZDGSA-N 1 2 360.502 2.901 20 30 FFEDLO C=CCOC[C@H]1CCC[C@@]12CN(c1cc(N(CC)CC)nc[nH+]1)CCO2 ZINC001166368473 1030387415 /nfs/dbraw/zinc/38/74/15/1030387415.db2.gz XDCXMHKVNHUBJT-YLJYHZDGSA-N 1 2 360.502 2.901 20 30 FFEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000784165152 1030490482 /nfs/dbraw/zinc/49/04/82/1030490482.db2.gz KTPSMPDXCQTELL-CRAIPNDOSA-N 1 2 359.470 2.867 20 30 FFEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000784165152 1030490489 /nfs/dbraw/zinc/49/04/89/1030490489.db2.gz KTPSMPDXCQTELL-CRAIPNDOSA-N 1 2 359.470 2.867 20 30 FFEDLO C#C[C@H]1CCCN(c2nc3c(ccn3S(=O)(=O)c3ccccc3)c[nH+]2)C1 ZINC001167006911 1030607681 /nfs/dbraw/zinc/60/76/81/1030607681.db2.gz HJCBSFSESAAFPX-HNNXBMFYSA-N 1 2 366.446 2.518 20 30 FFEDLO C#CCCCCCOC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000796820139 1030925006 /nfs/dbraw/zinc/92/50/06/1030925006.db2.gz KLPDPDRQFHVTHA-VQIMIIECSA-N 1 2 359.470 2.847 20 30 FFEDLO COc1cc(Br)cc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)c1O ZINC001204337099 1031235725 /nfs/dbraw/zinc/23/57/25/1031235725.db2.gz CGQGNAHJQKIVFI-CYBMUJFWSA-N 1 2 370.268 2.937 20 30 FFEDLO COc1cc(Br)cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c1O ZINC001204337099 1031235739 /nfs/dbraw/zinc/23/57/39/1031235739.db2.gz CGQGNAHJQKIVFI-CYBMUJFWSA-N 1 2 370.268 2.937 20 30 FFEDLO CCOc1cccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1O ZINC000798274228 1031352855 /nfs/dbraw/zinc/35/28/55/1031352855.db2.gz BLCWWCAGUQIPSW-LSDHHAIUSA-N 1 2 361.442 2.640 20 30 FFEDLO C=CCN1CC[C@@H](OC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1=O ZINC000798614702 1031476921 /nfs/dbraw/zinc/47/69/21/1031476921.db2.gz BLLNXXZFORWNOP-YLJYHZDGSA-N 1 2 370.493 2.660 20 30 FFEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001150708831 1031773257 /nfs/dbraw/zinc/77/32/57/1031773257.db2.gz MMHLWOIBCMQJKW-INIZCTEOSA-N 1 2 374.485 2.798 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001223264761 1033363675 /nfs/dbraw/zinc/36/36/75/1033363675.db2.gz OIWJRBLOKAYBGP-AEFFLSMTSA-N 1 2 370.497 2.954 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001223264761 1033363683 /nfs/dbraw/zinc/36/36/83/1033363683.db2.gz OIWJRBLOKAYBGP-AEFFLSMTSA-N 1 2 370.497 2.954 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C(C)C)n3C)[C@H]2C1 ZINC001223310400 1033385814 /nfs/dbraw/zinc/38/58/14/1033385814.db2.gz ZMNANBNBXWJHSY-MSOLQXFVSA-N 1 2 371.529 2.555 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C(C)C)n3C)[C@H]2C1 ZINC001223310400 1033385827 /nfs/dbraw/zinc/38/58/27/1033385827.db2.gz ZMNANBNBXWJHSY-MSOLQXFVSA-N 1 2 371.529 2.555 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C4CCC4)no3)[C@H]2C1 ZINC001223316264 1033386903 /nfs/dbraw/zinc/38/69/03/1033386903.db2.gz YNTRKGIEOZXPOU-AEFFLSMTSA-N 1 2 370.497 2.954 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C4CCC4)no3)[C@H]2C1 ZINC001223316264 1033386912 /nfs/dbraw/zinc/38/69/12/1033386912.db2.gz YNTRKGIEOZXPOU-AEFFLSMTSA-N 1 2 370.497 2.954 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C4CC4)nn3C)[C@H]2C1 ZINC001223337882 1033401079 /nfs/dbraw/zinc/40/10/79/1033401079.db2.gz BQKHGUHGNDVXSU-JZXOWHBKSA-N 1 2 371.529 2.718 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C4CC4)nn3C)[C@H]2C1 ZINC001223337882 1033401084 /nfs/dbraw/zinc/40/10/84/1033401084.db2.gz BQKHGUHGNDVXSU-JZXOWHBKSA-N 1 2 371.529 2.718 20 30 FFEDLO C=CCCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(CC)n4C)[C@H]3C2)CC1 ZINC001223452526 1033451111 /nfs/dbraw/zinc/45/11/11/1033451111.db2.gz ZXKVXJFCSDSZAP-SJORKVTESA-N 1 2 371.529 2.547 20 30 FFEDLO C=CCCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc(CC)n4C)[C@H]3C2)CC1 ZINC001223452526 1033451117 /nfs/dbraw/zinc/45/11/17/1033451117.db2.gz ZXKVXJFCSDSZAP-SJORKVTESA-N 1 2 371.529 2.547 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3c(F)cc(C)cc3F)C2)OCC1=O ZINC001276906098 1033523430 /nfs/dbraw/zinc/52/34/30/1033523430.db2.gz CUOQHLCLWLHDRL-IBGZPJMESA-N 1 2 350.409 2.653 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3c(F)cc(C)cc3F)C2)OCC1=O ZINC001276906098 1033523438 /nfs/dbraw/zinc/52/34/38/1033523438.db2.gz CUOQHLCLWLHDRL-IBGZPJMESA-N 1 2 350.409 2.653 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2CC[N@H+](Cc3coc(C4CC4)n3)[C@H]2C1 ZINC001224275388 1033819209 /nfs/dbraw/zinc/81/92/09/1033819209.db2.gz HPCJYVRJPKLHPE-QAPCUYQASA-N 1 2 359.470 2.568 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2CC[N@@H+](Cc3coc(C4CC4)n3)[C@H]2C1 ZINC001224275388 1033819224 /nfs/dbraw/zinc/81/92/24/1033819224.db2.gz HPCJYVRJPKLHPE-QAPCUYQASA-N 1 2 359.470 2.568 20 30 FFEDLO CC1(CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)CCCCC1 ZINC001219986453 1033927906 /nfs/dbraw/zinc/92/79/06/1033927906.db2.gz YVPQZRYXBUEZCX-UXHICEINSA-N 1 2 354.494 2.560 20 30 FFEDLO CC1(CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)CCCCC1 ZINC001219986453 1033927921 /nfs/dbraw/zinc/92/79/21/1033927921.db2.gz YVPQZRYXBUEZCX-UXHICEINSA-N 1 2 354.494 2.560 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1O ZINC001220198184 1034039034 /nfs/dbraw/zinc/03/90/34/1034039034.db2.gz GPXRKAPWSNWPTI-YSGRDPCXSA-N 1 2 369.465 2.605 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1O ZINC001220198184 1034039043 /nfs/dbraw/zinc/03/90/43/1034039043.db2.gz GPXRKAPWSNWPTI-YSGRDPCXSA-N 1 2 369.465 2.605 20 30 FFEDLO C#CCN1CCC2(CC[NH+](Cc3cncc(Cl)c3Cl)CC2)C1=O ZINC001277004934 1034040467 /nfs/dbraw/zinc/04/04/67/1034040467.db2.gz DUDVSBCBSSMJLI-UHFFFAOYSA-N 1 2 352.265 2.836 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4cccnc4c3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225392185 1034233232 /nfs/dbraw/zinc/23/32/32/1034233232.db2.gz XCALEAJPEANWIF-GYZAEQSUSA-N 1 2 361.239 2.989 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4cccnc4c3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225392185 1034233246 /nfs/dbraw/zinc/23/32/46/1034233246.db2.gz XCALEAJPEANWIF-GYZAEQSUSA-N 1 2 361.239 2.989 20 30 FFEDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@]2(C#N)CCCOC2)CC1 ZINC000831867805 1034360278 /nfs/dbraw/zinc/36/02/78/1034360278.db2.gz FZAJONBPSIMKNW-ICSRJNTNSA-N 1 2 359.445 2.741 20 30 FFEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)Cc3ccsc3)CC2)cc1 ZINC001138560707 1034412541 /nfs/dbraw/zinc/41/25/41/1034412541.db2.gz IKSVJUYFBUUSBM-UHFFFAOYSA-N 1 2 354.475 2.647 20 30 FFEDLO C#CCN1C(=O)COCC12C[NH+](Cc1cc(CCCCCC)cs1)C2 ZINC001276817245 1034475131 /nfs/dbraw/zinc/47/51/31/1034475131.db2.gz FBTOVDXPNKSPHT-UHFFFAOYSA-N 1 2 360.523 2.917 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnsc1Cl ZINC001226133875 1034538850 /nfs/dbraw/zinc/53/88/50/1034538850.db2.gz KZLXGCZMTLGSDW-VXGBXAGGSA-N 1 2 354.907 2.758 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221423570 1034740320 /nfs/dbraw/zinc/74/03/20/1034740320.db2.gz LRSLQTHDXQAGTJ-PWIZWCRZSA-N 1 2 353.466 2.572 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221423570 1034740334 /nfs/dbraw/zinc/74/03/34/1034740334.db2.gz LRSLQTHDXQAGTJ-PWIZWCRZSA-N 1 2 353.466 2.572 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)c3cn(-c4ccccc4)nn3)C[C@H]21 ZINC001221424670 1034741239 /nfs/dbraw/zinc/74/12/39/1034741239.db2.gz KHLZELYYEREJNR-SQGPQFPESA-N 1 2 365.481 2.827 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)c3cn(-c4ccccc4)nn3)C[C@H]21 ZINC001221424670 1034741253 /nfs/dbraw/zinc/74/12/53/1034741253.db2.gz KHLZELYYEREJNR-SQGPQFPESA-N 1 2 365.481 2.827 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccncc3Cl)C[C@H]21 ZINC001221471220 1034794921 /nfs/dbraw/zinc/79/49/21/1034794921.db2.gz SOZBDVISMZRKKZ-SJLPKXTDSA-N 1 2 363.889 2.751 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccncc3Cl)C[C@H]21 ZINC001221471220 1034794933 /nfs/dbraw/zinc/79/49/33/1034794933.db2.gz SOZBDVISMZRKKZ-SJLPKXTDSA-N 1 2 363.889 2.751 20 30 FFEDLO C=C(C)C(=O)OC[C@@H](C)Oc1n[nH]c2c1CC[N@H+](Cc1ccccc1)C2 ZINC001226704272 1034797364 /nfs/dbraw/zinc/79/73/64/1034797364.db2.gz JENLYAQLGCZPMP-OAHLLOKOSA-N 1 2 355.438 2.855 20 30 FFEDLO C=C(C)C(=O)OC[C@@H](C)Oc1n[nH]c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001226704272 1034797375 /nfs/dbraw/zinc/79/73/75/1034797375.db2.gz JENLYAQLGCZPMP-OAHLLOKOSA-N 1 2 355.438 2.855 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[N@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001221518167 1034837444 /nfs/dbraw/zinc/83/74/44/1034837444.db2.gz VTJVWXBDRVMLBJ-OMWUSAIZSA-N 1 2 366.864 2.839 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[N@@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001221518167 1034837453 /nfs/dbraw/zinc/83/74/53/1034837453.db2.gz VTJVWXBDRVMLBJ-OMWUSAIZSA-N 1 2 366.864 2.839 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3scc(C)c3Cl)[C@@H]2C1 ZINC001221568636 1034882324 /nfs/dbraw/zinc/88/23/24/1034882324.db2.gz WYLMXIXZWOMJJY-ZIAGYGMSSA-N 1 2 352.887 2.506 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3scc(C)c3Cl)[C@@H]2C1 ZINC001221568636 1034882333 /nfs/dbraw/zinc/88/23/33/1034882333.db2.gz WYLMXIXZWOMJJY-ZIAGYGMSSA-N 1 2 352.887 2.506 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCc3ccccc3C)C[C@H]21 ZINC001221585038 1034896435 /nfs/dbraw/zinc/89/64/35/1034896435.db2.gz PWAJQBHGRHZDOH-WOJBJXKFSA-N 1 2 369.509 2.500 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCc3ccccc3C)C[C@H]21 ZINC001221585038 1034896440 /nfs/dbraw/zinc/89/64/40/1034896440.db2.gz PWAJQBHGRHZDOH-WOJBJXKFSA-N 1 2 369.509 2.500 20 30 FFEDLO C=CCn1cc(C[N@@H+]2CCO[C@]3(CCCN(c4ccccc4)C3)C2)cn1 ZINC001139769913 1035226628 /nfs/dbraw/zinc/22/66/28/1035226628.db2.gz VIDHSHHBOGGADC-OAQYLSRUSA-N 1 2 352.482 2.941 20 30 FFEDLO C=CCn1cc(C[N@H+]2CCO[C@]3(CCCN(c4ccccc4)C3)C2)cn1 ZINC001139769913 1035226632 /nfs/dbraw/zinc/22/66/32/1035226632.db2.gz VIDHSHHBOGGADC-OAQYLSRUSA-N 1 2 352.482 2.941 20 30 FFEDLO C=CCn1cc(C[N@H+]2CCO[C@H]3[C@H](OCc4csc(C)n4)CC[C@@H]32)cn1 ZINC001139772036 1035228009 /nfs/dbraw/zinc/22/80/09/1035228009.db2.gz XRGWMSKIESMWKS-IPMKNSEASA-N 1 2 374.510 2.783 20 30 FFEDLO C=CCn1cc(C[N@@H+]2CCO[C@H]3[C@H](OCc4csc(C)n4)CC[C@@H]32)cn1 ZINC001139772036 1035228011 /nfs/dbraw/zinc/22/80/11/1035228011.db2.gz XRGWMSKIESMWKS-IPMKNSEASA-N 1 2 374.510 2.783 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2c[nH]c3ccc(C#N)cc23)CCO1 ZINC001140110486 1035345109 /nfs/dbraw/zinc/34/51/09/1035345109.db2.gz MIMGFRIIBREHSU-MRXNPFEDSA-N 1 2 370.453 2.765 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)CCO1 ZINC001140110486 1035345113 /nfs/dbraw/zinc/34/51/13/1035345113.db2.gz MIMGFRIIBREHSU-MRXNPFEDSA-N 1 2 370.453 2.765 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1c[nH]c2cccc(O)c12 ZINC001140233875 1035392431 /nfs/dbraw/zinc/39/24/31/1035392431.db2.gz WJYQVFYDHFCQLL-KRWDZBQOSA-N 1 2 352.438 2.909 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1c[nH]c2cccc(O)c12 ZINC001140233875 1035392436 /nfs/dbraw/zinc/39/24/36/1035392436.db2.gz WJYQVFYDHFCQLL-KRWDZBQOSA-N 1 2 352.438 2.909 20 30 FFEDLO Cn1cnc2c1[C@@H](COCC1CCCC1)C[N@H+](Cc1ccc(C#N)nc1)C2 ZINC001140541419 1035594907 /nfs/dbraw/zinc/59/49/07/1035594907.db2.gz IIAXSZOZCMIKQL-GOSISDBHSA-N 1 2 365.481 2.993 20 30 FFEDLO Cn1cnc2c1[C@@H](COCC1CCCC1)C[N@@H+](Cc1ccc(C#N)nc1)C2 ZINC001140541419 1035594916 /nfs/dbraw/zinc/59/49/16/1035594916.db2.gz IIAXSZOZCMIKQL-GOSISDBHSA-N 1 2 365.481 2.993 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)cn1 ZINC001140542672 1035599190 /nfs/dbraw/zinc/59/91/90/1035599190.db2.gz DPCHSYVGDKQIQC-HLAWJBBLSA-N 1 2 364.449 2.544 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)cn1 ZINC001140542672 1035599197 /nfs/dbraw/zinc/59/91/97/1035599197.db2.gz DPCHSYVGDKQIQC-HLAWJBBLSA-N 1 2 364.449 2.544 20 30 FFEDLO CCc1cccc(C)c1C[N@@H+]1C[C@]2(F)CN(CCCC#N)C(=O)[C@]2(F)C1 ZINC001277229297 1035657839 /nfs/dbraw/zinc/65/78/39/1035657839.db2.gz FPYDEJXWQINRGC-VQTJNVASSA-N 1 2 361.436 2.936 20 30 FFEDLO CCc1cccc(C)c1C[N@H+]1C[C@]2(F)CN(CCCC#N)C(=O)[C@]2(F)C1 ZINC001277229297 1035657844 /nfs/dbraw/zinc/65/78/44/1035657844.db2.gz FPYDEJXWQINRGC-VQTJNVASSA-N 1 2 361.436 2.936 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCO[C@]3(CCCN(c4cccnc4)C3)C2)c1 ZINC001232675802 1035931904 /nfs/dbraw/zinc/93/19/04/1035931904.db2.gz VKRIBJLMTUVKQG-OAQYLSRUSA-N 1 2 364.449 2.530 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCO[C@]3(CCCN(c4cccnc4)C3)C2)c1 ZINC001232675802 1035931916 /nfs/dbraw/zinc/93/19/16/1035931916.db2.gz VKRIBJLMTUVKQG-OAQYLSRUSA-N 1 2 364.449 2.530 20 30 FFEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(Br)[nH]1)CC2 ZINC001232687692 1035943135 /nfs/dbraw/zinc/94/31/35/1035943135.db2.gz VERTVSXQEDFEJG-UHFFFAOYSA-N 1 2 352.276 2.920 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccccc3C(=O)Nc3ccc(O)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228185792 1035981664 /nfs/dbraw/zinc/98/16/64/1035981664.db2.gz DJTRUEAARKPFET-MXHDYAKMSA-N 1 2 366.417 2.636 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccccc3C(=O)Nc3ccc(O)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228185792 1035981674 /nfs/dbraw/zinc/98/16/74/1035981674.db2.gz DJTRUEAARKPFET-MXHDYAKMSA-N 1 2 366.417 2.636 20 30 FFEDLO N#Cc1c(F)cc(CN2CCc3onc(Cn4cc[nH+]c4)c3C2)cc1F ZINC001140752110 1036059934 /nfs/dbraw/zinc/05/99/34/1036059934.db2.gz MRHZECZRKBYKEB-UHFFFAOYSA-N 1 2 355.348 2.628 20 30 FFEDLO N#Cc1c(F)cc(C[NH+]2CCC(NC(=O)c3cccnc3)CC2)cc1F ZINC001140755479 1036068292 /nfs/dbraw/zinc/06/82/92/1036068292.db2.gz HFGPKMNKXDRBAY-UHFFFAOYSA-N 1 2 356.376 2.626 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001232891023 1036133078 /nfs/dbraw/zinc/13/30/78/1036133078.db2.gz VHGSPDGENZVQJB-UXHICEINSA-N 1 2 353.397 2.905 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001232891023 1036133083 /nfs/dbraw/zinc/13/30/83/1036133083.db2.gz VHGSPDGENZVQJB-UXHICEINSA-N 1 2 353.397 2.905 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)n1 ZINC001232923301 1036161866 /nfs/dbraw/zinc/16/18/66/1036161866.db2.gz AXFQTGOKLWJVGB-LAUBAEHRSA-N 1 2 364.449 2.798 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)n1 ZINC001232923301 1036161880 /nfs/dbraw/zinc/16/18/80/1036161880.db2.gz AXFQTGOKLWJVGB-LAUBAEHRSA-N 1 2 364.449 2.798 20 30 FFEDLO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C#N)c2F)C[C@@]1(O)C(F)(F)F ZINC001233095938 1036342258 /nfs/dbraw/zinc/34/22/58/1036342258.db2.gz CTFYXJAVWMTAIM-BZNIZROVSA-N 1 2 359.367 2.899 20 30 FFEDLO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C#N)c2F)C[C@@]1(O)C(F)(F)F ZINC001233095938 1036342275 /nfs/dbraw/zinc/34/22/75/1036342275.db2.gz CTFYXJAVWMTAIM-BZNIZROVSA-N 1 2 359.367 2.899 20 30 FFEDLO C=CCC(C)(C)CNC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC001229050498 1036473134 /nfs/dbraw/zinc/47/31/34/1036473134.db2.gz AYTSHORENYLIQG-UHFFFAOYSA-N 1 2 353.507 2.694 20 30 FFEDLO C#Cc1cccc(CNC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1 ZINC000836467964 1036565479 /nfs/dbraw/zinc/56/54/79/1036565479.db2.gz PKFXDJMAFLIJDL-UHFFFAOYSA-N 1 2 350.422 2.530 20 30 FFEDLO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cc(F)c(O)c(F)c1)CC2 ZINC001140987751 1036625523 /nfs/dbraw/zinc/62/55/23/1036625523.db2.gz CDCBHKIZZXUBSG-UHFFFAOYSA-N 1 2 352.381 2.891 20 30 FFEDLO C[C@H](CON)Oc1ccccc1/C=[NH+]/CCC/N=C/c1ccccc1O ZINC001229385190 1036646423 /nfs/dbraw/zinc/64/64/23/1036646423.db2.gz QCDUULQLUCDZGK-QDRGAOLISA-N 1 2 355.438 2.978 20 30 FFEDLO CC(=O)[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)C1=O ZINC001277817765 1036819789 /nfs/dbraw/zinc/81/97/89/1036819789.db2.gz VAGVRAYCBZSRCL-ORAYPTAESA-N 1 2 359.857 2.614 20 30 FFEDLO CC(=O)[C@H](C)N1CC[C@@]2(CC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)C1=O ZINC001277817765 1036819807 /nfs/dbraw/zinc/81/98/07/1036819807.db2.gz VAGVRAYCBZSRCL-ORAYPTAESA-N 1 2 359.857 2.614 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3cccs3)on2)C[C@H]1C ZINC001206947168 1036966884 /nfs/dbraw/zinc/96/68/84/1036966884.db2.gz IPKISEKNPONLPX-GDBMZVCRSA-N 1 2 357.479 2.999 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3cccs3)on2)C[C@H]1C ZINC001206947168 1036966899 /nfs/dbraw/zinc/96/68/99/1036966899.db2.gz IPKISEKNPONLPX-GDBMZVCRSA-N 1 2 357.479 2.999 20 30 FFEDLO CCOc1cc(Br)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001234298278 1036984833 /nfs/dbraw/zinc/98/48/33/1036984833.db2.gz ZWFMVCZMGQRJBI-JGPUMOJJSA-N 1 2 354.244 2.839 20 30 FFEDLO CCOc1cc(Br)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001234298278 1036984846 /nfs/dbraw/zinc/98/48/46/1036984846.db2.gz ZWFMVCZMGQRJBI-JGPUMOJJSA-N 1 2 354.244 2.839 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)c4csc(Cl)c4)C3)C2)cc1C#N ZINC001277845251 1036985584 /nfs/dbraw/zinc/98/55/84/1036985584.db2.gz YVVYCWPYLQKVIW-UHFFFAOYSA-N 1 2 360.870 2.570 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCN(CCC(F)(F)F)C3=O)C2)c1 ZINC001277850028 1037006779 /nfs/dbraw/zinc/00/67/79/1037006779.db2.gz MATDBSOYBGOJTI-QGZVFWFLSA-N 1 2 367.371 2.641 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@]3(CCN(CCC(F)(F)F)C3=O)C2)c1 ZINC001277850028 1037006793 /nfs/dbraw/zinc/00/67/93/1037006793.db2.gz MATDBSOYBGOJTI-QGZVFWFLSA-N 1 2 367.371 2.641 20 30 FFEDLO Cc1ccc(N2CCC[C@@H](Oc3[nH]c(=O)nc4cccc(C#N)c43)C2)[nH+]c1 ZINC001234514681 1037067874 /nfs/dbraw/zinc/06/78/74/1037067874.db2.gz YVFPDTOCLBXOAS-OAHLLOKOSA-N 1 2 361.405 2.958 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)Cc2nn(CC3CC3)cc21 ZINC001207104261 1037149176 /nfs/dbraw/zinc/14/91/76/1037149176.db2.gz PSTOOMIRCWGPNE-KRWDZBQOSA-N 1 2 353.470 2.639 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)Cc2nn(CC3CC3)cc21 ZINC001207104261 1037149179 /nfs/dbraw/zinc/14/91/79/1037149179.db2.gz PSTOOMIRCWGPNE-KRWDZBQOSA-N 1 2 353.470 2.639 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nnc(CC)o2)C[C@H]1C ZINC001207153242 1037197748 /nfs/dbraw/zinc/19/77/48/1037197748.db2.gz RBYYWAJVPPUYHV-NTZNESFSSA-N 1 2 354.882 2.908 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nnc(CC)o2)C[C@H]1C ZINC001207153242 1037197757 /nfs/dbraw/zinc/19/77/57/1037197757.db2.gz RBYYWAJVPPUYHV-NTZNESFSSA-N 1 2 354.882 2.908 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(CC)c2)C[C@H]1C ZINC001207190118 1037232756 /nfs/dbraw/zinc/23/27/56/1037232756.db2.gz HGGORLZVCXIDGH-VQIMIIECSA-N 1 2 357.498 2.980 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(CC)c2)C[C@H]1C ZINC001207190118 1037232767 /nfs/dbraw/zinc/23/27/67/1037232767.db2.gz HGGORLZVCXIDGH-VQIMIIECSA-N 1 2 357.498 2.980 20 30 FFEDLO C=CCN(CC[NH+]1CCN(Cc2cccnc2)CC1)C(=O)OC(C)(C)C ZINC001207198303 1037237139 /nfs/dbraw/zinc/23/71/39/1037237139.db2.gz BDHUYDZNSKEQHY-UHFFFAOYSA-N 1 2 360.502 2.622 20 30 FFEDLO C=CCN(CCN1CC[NH+](Cc2cccnc2)CC1)C(=O)OC(C)(C)C ZINC001207198303 1037237149 /nfs/dbraw/zinc/23/71/49/1037237149.db2.gz BDHUYDZNSKEQHY-UHFFFAOYSA-N 1 2 360.502 2.622 20 30 FFEDLO N#Cc1cc(F)c(C[NH+]2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c(F)c1 ZINC001235655023 1037666038 /nfs/dbraw/zinc/66/60/38/1037666038.db2.gz TVRXWBLAKVSNFM-ZIAGYGMSSA-N 1 2 360.433 2.857 20 30 FFEDLO N#Cc1cc(F)c(C[NH+]2CCC(NC(=O)N3CCCCC3)CC2)c(F)c1 ZINC001235660671 1037670645 /nfs/dbraw/zinc/67/06/45/1037670645.db2.gz HAVIWQYHRMZENF-UHFFFAOYSA-N 1 2 362.424 2.996 20 30 FFEDLO CCOc1cc(C[NH+]2CCN(CCC#N)CC2)ccc1OCCCOC ZINC001231548345 1037671964 /nfs/dbraw/zinc/67/19/64/1037671964.db2.gz MLTDNHSEORIVBO-UHFFFAOYSA-N 1 2 361.486 2.532 20 30 FFEDLO C=CCOc1cccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CO)C2)c1 ZINC001231623603 1037747222 /nfs/dbraw/zinc/74/72/22/1037747222.db2.gz LLVOIGRPAMLBQD-QGZVFWFLSA-N 1 2 362.470 2.665 20 30 FFEDLO C=CCOc1cccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CO)C2)c1 ZINC001231623603 1037747233 /nfs/dbraw/zinc/74/72/33/1037747233.db2.gz LLVOIGRPAMLBQD-QGZVFWFLSA-N 1 2 362.470 2.665 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cn(C)nc1C(F)(F)F ZINC001277578299 1037959995 /nfs/dbraw/zinc/95/99/95/1037959995.db2.gz CMQDGZYKRYDNHC-QGZVFWFLSA-N 1 2 370.419 2.972 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cn(C)nc1C(F)(F)F ZINC001277578299 1037959998 /nfs/dbraw/zinc/95/99/98/1037959998.db2.gz CMQDGZYKRYDNHC-QGZVFWFLSA-N 1 2 370.419 2.972 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CC(F)(F)F)C1 ZINC001208058876 1037979899 /nfs/dbraw/zinc/97/98/99/1037979899.db2.gz IMYKHYBDPQXIEX-FXPVBKGRSA-N 1 2 357.214 2.920 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CC(F)(F)F)C1 ZINC001208058876 1037979910 /nfs/dbraw/zinc/97/99/10/1037979910.db2.gz IMYKHYBDPQXIEX-FXPVBKGRSA-N 1 2 357.214 2.920 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](OC)c2cccc(OC)c2)C1 ZINC001208176508 1038113736 /nfs/dbraw/zinc/11/37/36/1038113736.db2.gz LCDQRGVCFAEZAJ-CSMYWGQOSA-N 1 2 352.862 2.572 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](OC)c2cccc(OC)c2)C1 ZINC001208176508 1038113745 /nfs/dbraw/zinc/11/37/45/1038113745.db2.gz LCDQRGVCFAEZAJ-CSMYWGQOSA-N 1 2 352.862 2.572 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)cc1Cl ZINC001232111364 1038177409 /nfs/dbraw/zinc/17/74/09/1038177409.db2.gz AXESQRGFOIQJJY-RTBURBONSA-N 1 2 366.852 2.982 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)cc1Cl ZINC001232111364 1038177414 /nfs/dbraw/zinc/17/74/14/1038177414.db2.gz AXESQRGFOIQJJY-RTBURBONSA-N 1 2 366.852 2.982 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001208317914 1038209794 /nfs/dbraw/zinc/20/97/94/1038209794.db2.gz BDHUNPBIRQWSHP-JKIFEVAISA-N 1 2 361.461 2.801 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001208317914 1038209812 /nfs/dbraw/zinc/20/98/12/1038209812.db2.gz BDHUNPBIRQWSHP-JKIFEVAISA-N 1 2 361.461 2.801 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001208371525 1038263020 /nfs/dbraw/zinc/26/30/20/1038263020.db2.gz ZTFUNCSVUSUVMP-IEBWSBKVSA-N 1 2 355.482 2.564 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001208371525 1038263026 /nfs/dbraw/zinc/26/30/26/1038263026.db2.gz ZTFUNCSVUSUVMP-IEBWSBKVSA-N 1 2 355.482 2.564 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236818106 1038289753 /nfs/dbraw/zinc/28/97/53/1038289753.db2.gz IWHURQQHPGIJRH-CYBMUJFWSA-N 1 2 354.834 2.931 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236818106 1038289763 /nfs/dbraw/zinc/28/97/63/1038289763.db2.gz IWHURQQHPGIJRH-CYBMUJFWSA-N 1 2 354.834 2.931 20 30 FFEDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(Br)c2)C1 ZINC001236866198 1038317120 /nfs/dbraw/zinc/31/71/20/1038317120.db2.gz LQSCTIPQOXOKLR-CQSZACIVSA-N 1 2 365.275 2.556 20 30 FFEDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(Br)c2)C1 ZINC001236866198 1038317126 /nfs/dbraw/zinc/31/71/26/1038317126.db2.gz LQSCTIPQOXOKLR-CQSZACIVSA-N 1 2 365.275 2.556 20 30 FFEDLO CN1CCN(c2ccc(C[N@H+](C)CCC#N)cc2Br)CC1 ZINC001237090963 1038440919 /nfs/dbraw/zinc/44/09/19/1038440919.db2.gz UJIKXLBAUCFYBK-UHFFFAOYSA-N 1 2 351.292 2.546 20 30 FFEDLO CN1CCN(c2ccc(C[N@@H+](C)CCC#N)cc2Br)CC1 ZINC001237090963 1038440925 /nfs/dbraw/zinc/44/09/25/1038440925.db2.gz UJIKXLBAUCFYBK-UHFFFAOYSA-N 1 2 351.292 2.546 20 30 FFEDLO Cn1cc(C[NH+]2CC3(C2)CCCN(Cc2ccc(C#N)s2)C3)cc1C#N ZINC001278925519 1038463309 /nfs/dbraw/zinc/46/33/09/1038463309.db2.gz CPBBRRFCUWPHLT-UHFFFAOYSA-N 1 2 365.506 2.928 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C(C)(F)F)CC2)C1 ZINC001208683904 1038484822 /nfs/dbraw/zinc/48/48/22/1038484822.db2.gz GTJPTFYSFIPWOW-MWLCHTKSSA-N 1 2 351.235 2.767 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C(C)(F)F)CC2)C1 ZINC001208683904 1038484826 /nfs/dbraw/zinc/48/48/26/1038484826.db2.gz GTJPTFYSFIPWOW-MWLCHTKSSA-N 1 2 351.235 2.767 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)NCC(F)(F)F ZINC001278940917 1038535543 /nfs/dbraw/zinc/53/55/43/1038535543.db2.gz BFVKBEXKEDIWMC-GJZGRUSLSA-N 1 2 370.350 2.618 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)NCC(F)(F)F ZINC001278940917 1038535549 /nfs/dbraw/zinc/53/55/49/1038535549.db2.gz BFVKBEXKEDIWMC-GJZGRUSLSA-N 1 2 370.350 2.618 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1CCCCOCc1ccccc1 ZINC001209252031 1038733733 /nfs/dbraw/zinc/73/37/33/1038733733.db2.gz CHIIUPZYCQGAQV-FQEVSTJZSA-N 1 2 370.497 2.914 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1CCCCOCc1ccccc1 ZINC001209252031 1038733736 /nfs/dbraw/zinc/73/37/36/1038733736.db2.gz CHIIUPZYCQGAQV-FQEVSTJZSA-N 1 2 370.497 2.914 20 30 FFEDLO C=CCCCCCC[N@H+]1CC(=O)NC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001209431641 1038859355 /nfs/dbraw/zinc/85/93/55/1038859355.db2.gz QZCYAKWDXYBJIT-FQEVSTJZSA-N 1 2 365.518 2.934 20 30 FFEDLO C=CCCCCCC[N@@H+]1CC(=O)NC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001209431641 1038859379 /nfs/dbraw/zinc/85/93/79/1038859379.db2.gz QZCYAKWDXYBJIT-FQEVSTJZSA-N 1 2 365.518 2.934 20 30 FFEDLO Cc1ncsc1CN1CCO[C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001278638035 1039344994 /nfs/dbraw/zinc/34/49/94/1039344994.db2.gz GIGANBMHWIJYBF-ROUUACIJSA-N 1 2 372.469 2.548 20 30 FFEDLO Cc1ncsc1CN1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001278638035 1039345010 /nfs/dbraw/zinc/34/50/10/1039345010.db2.gz GIGANBMHWIJYBF-ROUUACIJSA-N 1 2 372.469 2.548 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1Cc1c(F)ccc(C(F)(F)F)c1Br ZINC001210196532 1039425658 /nfs/dbraw/zinc/42/56/58/1039425658.db2.gz OQOVKEKCKRPYMD-MRVPVSSYSA-N 1 2 366.156 2.904 20 30 FFEDLO CCCCCCCC[C@@H](O)C[N@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001252127665 1039442160 /nfs/dbraw/zinc/44/21/60/1039442160.db2.gz DBAOCSCEQKFKHJ-IAGOWNOFSA-N 1 2 352.523 2.862 20 30 FFEDLO CCCCCCCC[C@@H](O)C[N@@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001252127665 1039442167 /nfs/dbraw/zinc/44/21/67/1039442167.db2.gz DBAOCSCEQKFKHJ-IAGOWNOFSA-N 1 2 352.523 2.862 20 30 FFEDLO C#Cc1ccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)cc1 ZINC001210363840 1039502293 /nfs/dbraw/zinc/50/22/93/1039502293.db2.gz RVPQRMAETWVOMN-NRFANRHFSA-N 1 2 363.461 2.999 20 30 FFEDLO C#Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)cc1 ZINC001210363840 1039502306 /nfs/dbraw/zinc/50/23/06/1039502306.db2.gz RVPQRMAETWVOMN-NRFANRHFSA-N 1 2 363.461 2.999 20 30 FFEDLO COC(=O)c1cccc([C@H]2CNCC[N@@H+]2[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001247016082 1039580339 /nfs/dbraw/zinc/58/03/39/1039580339.db2.gz MANLNLZHOVQHFN-IIBYNOLFSA-N 1 2 363.461 2.922 20 30 FFEDLO COC(=O)c1cccc([C@H]2CNCC[N@H+]2[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001247016082 1039580351 /nfs/dbraw/zinc/58/03/51/1039580351.db2.gz MANLNLZHOVQHFN-IIBYNOLFSA-N 1 2 363.461 2.922 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COc2ccc(F)cc2)C1 ZINC001210929938 1039827242 /nfs/dbraw/zinc/82/72/42/1039827242.db2.gz FBCDREKMENVRNO-IAQYHMDHSA-N 1 2 371.250 2.550 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COc2ccc(F)cc2)C1 ZINC001210929938 1039827269 /nfs/dbraw/zinc/82/72/69/1039827269.db2.gz FBCDREKMENVRNO-IAQYHMDHSA-N 1 2 371.250 2.550 20 30 FFEDLO N#Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)C2CCCCC2)CC1 ZINC001259818253 1040223297 /nfs/dbraw/zinc/22/32/97/1040223297.db2.gz GBPCKHDVPSGUGT-UHFFFAOYSA-N 1 2 361.511 2.775 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(Cl)c2)C[C@H]1OC ZINC001213268873 1040393755 /nfs/dbraw/zinc/39/37/55/1040393755.db2.gz XAYQVJNXPJBOEN-NVXWUHKLSA-N 1 2 366.889 2.876 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(Cl)c2)C[C@H]1OC ZINC001213268873 1040393763 /nfs/dbraw/zinc/39/37/63/1040393763.db2.gz XAYQVJNXPJBOEN-NVXWUHKLSA-N 1 2 366.889 2.876 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213317652 1040443751 /nfs/dbraw/zinc/44/37/51/1040443751.db2.gz RWTZZHQFPHVZFR-GDIGMMSISA-N 1 2 359.445 2.615 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213317652 1040443753 /nfs/dbraw/zinc/44/37/53/1040443753.db2.gz RWTZZHQFPHVZFR-GDIGMMSISA-N 1 2 359.445 2.615 20 30 FFEDLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]2Cc1cnn2ccc(C#N)cc12 ZINC001249086955 1040575346 /nfs/dbraw/zinc/57/53/46/1040575346.db2.gz SHNPJGJPPOKSBA-UHFFFAOYSA-N 1 2 367.453 2.791 20 30 FFEDLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+]2Cc1cnn2ccc(C#N)cc12 ZINC001249086955 1040575355 /nfs/dbraw/zinc/57/53/55/1040575355.db2.gz SHNPJGJPPOKSBA-UHFFFAOYSA-N 1 2 367.453 2.791 20 30 FFEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cnn3ccc(C#N)cc13)CCO2 ZINC001249099366 1040580300 /nfs/dbraw/zinc/58/03/00/1040580300.db2.gz NQRDGYHIXWDXHC-PZJWPPBQSA-N 1 2 366.465 2.780 20 30 FFEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cnn3ccc(C#N)cc13)CCO2 ZINC001249099366 1040580319 /nfs/dbraw/zinc/58/03/19/1040580319.db2.gz NQRDGYHIXWDXHC-PZJWPPBQSA-N 1 2 366.465 2.780 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)CCCC(C)C ZINC001213474371 1040584617 /nfs/dbraw/zinc/58/46/17/1040584617.db2.gz CKIYASCOUDPYRR-RTBURBONSA-N 1 2 361.461 2.839 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)CCCC(C)C ZINC001213474371 1040584632 /nfs/dbraw/zinc/58/46/32/1040584632.db2.gz CKIYASCOUDPYRR-RTBURBONSA-N 1 2 361.461 2.839 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213496574 1040609814 /nfs/dbraw/zinc/60/98/14/1040609814.db2.gz SFQOIESXAHBVGC-QZTJIDSGSA-N 1 2 359.445 2.615 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213496574 1040609826 /nfs/dbraw/zinc/60/98/26/1040609826.db2.gz SFQOIESXAHBVGC-QZTJIDSGSA-N 1 2 359.445 2.615 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)[C@H](C)C(C)C ZINC001213513744 1040627843 /nfs/dbraw/zinc/62/78/43/1040627843.db2.gz FJRGLXPZCCFAHQ-ATZDWAIDSA-N 1 2 362.901 2.799 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)[C@H](C)C(C)C ZINC001213513744 1040627857 /nfs/dbraw/zinc/62/78/57/1040627857.db2.gz FJRGLXPZCCFAHQ-ATZDWAIDSA-N 1 2 362.901 2.799 20 30 FFEDLO CC[C@H](CC(C)C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001213691855 1040798219 /nfs/dbraw/zinc/79/82/19/1040798219.db2.gz LSNYLBNOTMSYNS-NJDAHSKKSA-N 1 2 356.510 2.926 20 30 FFEDLO CC[C@H](CC(C)C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001213691855 1040798232 /nfs/dbraw/zinc/79/82/32/1040798232.db2.gz LSNYLBNOTMSYNS-NJDAHSKKSA-N 1 2 356.510 2.926 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CCc1ccccc1 ZINC001213776822 1040895846 /nfs/dbraw/zinc/89/58/46/1040895846.db2.gz QFOYZWAPEJHLJF-RTBURBONSA-N 1 2 369.490 2.568 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CCc1ccccc1 ZINC001213776822 1040895856 /nfs/dbraw/zinc/89/58/56/1040895856.db2.gz QFOYZWAPEJHLJF-RTBURBONSA-N 1 2 369.490 2.568 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cc(F)cc(N(C)C)c1 ZINC001249953781 1041072668 /nfs/dbraw/zinc/07/26/68/1041072668.db2.gz RUNYHQLQGMOJLV-IBGZPJMESA-N 1 2 358.461 2.927 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc(F)cc(N(C)C)c1 ZINC001249953781 1041072678 /nfs/dbraw/zinc/07/26/78/1041072678.db2.gz RUNYHQLQGMOJLV-IBGZPJMESA-N 1 2 358.461 2.927 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC(C1CC1)C1CC1 ZINC001213938220 1041092913 /nfs/dbraw/zinc/09/29/13/1041092913.db2.gz MGXCHHUXZBTBBT-FGZHOGPDSA-N 1 2 366.505 2.680 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC(C1CC1)C1CC1 ZINC001213938220 1041092930 /nfs/dbraw/zinc/09/29/30/1041092930.db2.gz MGXCHHUXZBTBBT-FGZHOGPDSA-N 1 2 366.505 2.680 20 30 FFEDLO Cc1cc(C)c(C#N)c(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC001278841542 1041145694 /nfs/dbraw/zinc/14/56/94/1041145694.db2.gz RCYBCCHZPGYXLC-UHFFFAOYSA-N 1 2 362.349 2.916 20 30 FFEDLO C[C@@H]([NH2+][C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C)c1nc(C(C)(C)C)no1 ZINC001214585414 1041494216 /nfs/dbraw/zinc/49/42/16/1041494216.db2.gz JDLZSRGCVLEJPV-RBSFLKMASA-N 1 2 360.502 2.914 20 30 FFEDLO C=CCCOCCCCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2noc(C)n2)C1 ZINC001214621836 1041508166 /nfs/dbraw/zinc/50/81/66/1041508166.db2.gz LHHWSIPAYGJMON-BFYDXBDKSA-N 1 2 364.490 2.639 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CC(C)C)no2)C1 ZINC001215323182 1041737448 /nfs/dbraw/zinc/73/74/48/1041737448.db2.gz XOOMLBLENQTMDE-IAGOWNOFSA-N 1 2 360.502 2.788 20 30 FFEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccccc2C#Cc2ccccc2)CCO1 ZINC001215643948 1041849737 /nfs/dbraw/zinc/84/97/37/1041849737.db2.gz LRNQMHPAALRWGX-GOSISDBHSA-N 1 2 363.461 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccccc2C#Cc2ccccc2)CCO1 ZINC001215643948 1041849742 /nfs/dbraw/zinc/84/97/42/1041849742.db2.gz LRNQMHPAALRWGX-GOSISDBHSA-N 1 2 363.461 2.929 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCO[C@H](CCC)C1 ZINC001262977923 1042004129 /nfs/dbraw/zinc/00/41/29/1042004129.db2.gz RNHUZJWOTWJVDK-GOSISDBHSA-N 1 2 372.517 2.562 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2CCCOCC)C1 ZINC001263357969 1042260035 /nfs/dbraw/zinc/26/00/35/1042260035.db2.gz WAAVCGKXKYMQNQ-MSOLQXFVSA-N 1 2 359.518 2.711 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2CCCOCC)C1 ZINC001263357969 1042260041 /nfs/dbraw/zinc/26/00/41/1042260041.db2.gz WAAVCGKXKYMQNQ-MSOLQXFVSA-N 1 2 359.518 2.711 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@@H+]1Cc1cc(-c2ccco2)on1 ZINC001264052038 1042599526 /nfs/dbraw/zinc/59/95/26/1042599526.db2.gz ZTWNXJZCJRKSOD-DLBZAZTESA-N 1 2 353.422 2.817 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@H+]1Cc1cc(-c2ccco2)on1 ZINC001264052038 1042599527 /nfs/dbraw/zinc/59/95/27/1042599527.db2.gz ZTWNXJZCJRKSOD-DLBZAZTESA-N 1 2 353.422 2.817 20 30 FFEDLO Cc1ccccc1-c1cnc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]2C)o1 ZINC001264135561 1042631130 /nfs/dbraw/zinc/63/11/30/1042631130.db2.gz JTPWPBCGCWALTF-UXLLHSPISA-N 1 2 352.438 2.889 20 30 FFEDLO Cc1ccccc1-c1cnc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]2C)o1 ZINC001264135561 1042631133 /nfs/dbraw/zinc/63/11/33/1042631133.db2.gz JTPWPBCGCWALTF-UXLLHSPISA-N 1 2 352.438 2.889 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H]2C[N@H+](Cc3nc(C(C)C)ns3)CC[C@@H]2C1 ZINC001264642226 1042763981 /nfs/dbraw/zinc/76/39/81/1042763981.db2.gz FIBWMZJPZKAPEI-CVEARBPZSA-N 1 2 360.527 2.745 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C(C)C)ns3)CC[C@@H]2C1 ZINC001264642226 1042763983 /nfs/dbraw/zinc/76/39/83/1042763983.db2.gz FIBWMZJPZKAPEI-CVEARBPZSA-N 1 2 360.527 2.745 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(Cc4ccc5scnc5c4)C3)C2)cc1C#N ZINC001279251667 1042967254 /nfs/dbraw/zinc/96/72/54/1042967254.db2.gz XCYWRRPSCPZZKM-UHFFFAOYSA-N 1 2 363.490 2.824 20 30 FFEDLO Cn1cc(C[N@@H+]2CCC23CN(Cc2ccc(Cl)c(O)c2)C3)cc1C#N ZINC001279312390 1042995408 /nfs/dbraw/zinc/99/54/08/1042995408.db2.gz BKQKMCPWFYRGGR-UHFFFAOYSA-N 1 2 356.857 2.716 20 30 FFEDLO Cn1cc(C[N@H+]2CCC23CN(Cc2ccc(Cl)c(O)c2)C3)cc1C#N ZINC001279312390 1042995412 /nfs/dbraw/zinc/99/54/12/1042995412.db2.gz BKQKMCPWFYRGGR-UHFFFAOYSA-N 1 2 356.857 2.716 20 30 FFEDLO CN1CCO[C@]2(CCC[N@H+](Cc3ccc(C#N)cc3Br)C2)C1 ZINC001279395294 1043051705 /nfs/dbraw/zinc/05/17/05/1043051705.db2.gz HJMYBDFWIFACQG-QGZVFWFLSA-N 1 2 364.287 2.617 20 30 FFEDLO CN1CCO[C@]2(CCC[N@@H+](Cc3ccc(C#N)cc3Br)C2)C1 ZINC001279395294 1043051716 /nfs/dbraw/zinc/05/17/16/1043051716.db2.gz HJMYBDFWIFACQG-QGZVFWFLSA-N 1 2 364.287 2.617 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)ccn1 ZINC001237464411 1043180521 /nfs/dbraw/zinc/18/05/21/1043180521.db2.gz OOGNKKHFSMOGGX-GHTZIAJQSA-N 1 2 364.449 2.798 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)ccn1 ZINC001237464411 1043180523 /nfs/dbraw/zinc/18/05/23/1043180523.db2.gz OOGNKKHFSMOGGX-GHTZIAJQSA-N 1 2 364.449 2.798 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001279500359 1043195059 /nfs/dbraw/zinc/19/50/59/1043195059.db2.gz RRJYRBFFEOKZAK-DFQSSKMNSA-N 1 2 362.901 2.660 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001279500359 1043195067 /nfs/dbraw/zinc/19/50/67/1043195067.db2.gz RRJYRBFFEOKZAK-DFQSSKMNSA-N 1 2 362.901 2.660 20 30 FFEDLO Cc1ccsc1C[N@@H+]1CCc2onc(C(=O)NC3(C#N)CCC3)c2C1 ZINC001279780765 1043629897 /nfs/dbraw/zinc/62/98/97/1043629897.db2.gz OSDIWPKLAZZOPS-UHFFFAOYSA-N 1 2 356.451 2.779 20 30 FFEDLO Cc1ccsc1C[N@H+]1CCc2onc(C(=O)NC3(C#N)CCC3)c2C1 ZINC001279780765 1043629901 /nfs/dbraw/zinc/62/99/01/1043629901.db2.gz OSDIWPKLAZZOPS-UHFFFAOYSA-N 1 2 356.451 2.779 20 30 FFEDLO CC1(C[N@@H+]2CCc3[nH]nc(C(=O)N4CC(CC#N)C4)c3C2)CCCCC1 ZINC001280070748 1044168452 /nfs/dbraw/zinc/16/84/52/1044168452.db2.gz YLOAQBSSWBXVTC-UHFFFAOYSA-N 1 2 355.486 2.724 20 30 FFEDLO CC1(C[N@H+]2CCc3[nH]nc(C(=O)N4CC(CC#N)C4)c3C2)CCCCC1 ZINC001280070748 1044168457 /nfs/dbraw/zinc/16/84/57/1044168457.db2.gz YLOAQBSSWBXVTC-UHFFFAOYSA-N 1 2 355.486 2.724 20 30 FFEDLO C=CCCCN1CCn2c(C(=O)Nc3cccc4[nH+]ccn43)cnc2C1 ZINC001280121751 1044253951 /nfs/dbraw/zinc/25/39/51/1044253951.db2.gz XVSFNXWPSZYBEN-UHFFFAOYSA-N 1 2 350.426 2.565 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C4CCC4)no3)CC[C@@H]2C1 ZINC001316750843 1044401890 /nfs/dbraw/zinc/40/18/90/1044401890.db2.gz FCXVESOLRIDWLC-MSOLQXFVSA-N 1 2 370.497 2.811 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H]2C[N@H+](Cc3nc(C4CCC4)no3)CC[C@@H]2C1 ZINC001316750843 1044401894 /nfs/dbraw/zinc/40/18/94/1044401894.db2.gz FCXVESOLRIDWLC-MSOLQXFVSA-N 1 2 370.497 2.811 20 30 FFEDLO C[C@H]1c2nc(C(=O)NC3(C#N)CCC3)cn2CC[N@H+]1C[C@@H]1CC=CCC1 ZINC001280236642 1044445327 /nfs/dbraw/zinc/44/53/27/1044445327.db2.gz KTPROABLPVUQEU-JKSUJKDBSA-N 1 2 353.470 2.792 20 30 FFEDLO C[C@H]1c2nc(C(=O)NC3(C#N)CCC3)cn2CC[N@@H+]1C[C@@H]1CC=CCC1 ZINC001280236642 1044445337 /nfs/dbraw/zinc/44/53/37/1044445337.db2.gz KTPROABLPVUQEU-JKSUJKDBSA-N 1 2 353.470 2.792 20 30 FFEDLO COC(=O)[C@H](C#N)c1nc2ccccc2nc1-c1c[nH+]c(N(C)C)cc1C ZINC001241235784 1044493099 /nfs/dbraw/zinc/49/30/99/1044493099.db2.gz SRFROQBWQMIHQG-CYBMUJFWSA-N 1 2 361.405 2.846 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3ccc4c(C#N)c[nH]c4c3)cn2)CC1 ZINC001241560013 1044546288 /nfs/dbraw/zinc/54/62/88/1044546288.db2.gz GTKPQFXOUZDOMM-UHFFFAOYSA-N 1 2 360.465 2.761 20 30 FFEDLO CC(C)(C)NC(=O)[C@@H]1CCSC12C[NH+](Cc1ccc(C#N)cc1F)C2 ZINC001280323379 1044605592 /nfs/dbraw/zinc/60/55/92/1044605592.db2.gz VHEOICKNYFYTGL-HNNXBMFYSA-N 1 2 361.486 2.920 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(OCC#N)cc2)CC1 ZINC001318846464 1044906194 /nfs/dbraw/zinc/90/61/94/1044906194.db2.gz CSJKSKQPPLKMKV-INIZCTEOSA-N 1 2 365.437 2.895 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)SC)CC1 ZINC001539441181 1070638143 /nfs/dbraw/zinc/63/81/43/1070638143.db2.gz LNXQDSUJIVLIGU-OAHLLOKOSA-N 1 2 373.501 2.591 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C2CC2)CC1 ZINC001539434866 1070637255 /nfs/dbraw/zinc/63/72/55/1070637255.db2.gz WHPOWGNBWYGABK-UHFFFAOYSA-N 1 2 373.407 2.637 20 30 FFEDLO C=CCO[C@H]1CCN(C(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)C1 ZINC001320411004 1045403345 /nfs/dbraw/zinc/40/33/45/1045403345.db2.gz KIRCREKPPIAWTR-SFHVURJKSA-N 1 2 352.438 2.814 20 30 FFEDLO C#CC[N@H+](CC1CC1)Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC001320995819 1045510106 /nfs/dbraw/zinc/51/01/06/1045510106.db2.gz MRQJSKHCLGOPSV-UHFFFAOYSA-N 1 2 353.191 2.799 20 30 FFEDLO C#CC[N@@H+](CC1CC1)Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC001320995819 1045510112 /nfs/dbraw/zinc/51/01/12/1045510112.db2.gz MRQJSKHCLGOPSV-UHFFFAOYSA-N 1 2 353.191 2.799 20 30 FFEDLO C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001539669446 1070678559 /nfs/dbraw/zinc/67/85/59/1070678559.db2.gz QUFRLJPADOZDER-QGZVFWFLSA-N 1 2 363.550 2.990 20 30 FFEDLO C=CCO[C@@H]1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC001323744138 1045707614 /nfs/dbraw/zinc/70/76/14/1045707614.db2.gz KGIUMIDWPWKVPV-OAHLLOKOSA-N 1 2 350.488 2.938 20 30 FFEDLO C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001539793146 1070699753 /nfs/dbraw/zinc/69/97/53/1070699753.db2.gz LWVFUDVZSWOCCM-UHFFFAOYSA-N 1 2 369.860 2.747 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C1CC[NH+](Cc2ccon2)CC1 ZINC001324407722 1046011334 /nfs/dbraw/zinc/01/13/34/1046011334.db2.gz MPKKCAMCLWPXHG-FFZOFVMBSA-N 1 2 355.482 2.927 20 30 FFEDLO N#CCCn1cc(C[NH2+]Cc2nccc(C(F)F)n2)c(-c2ccncc2)n1 ZINC001324457709 1046041379 /nfs/dbraw/zinc/04/13/79/1046041379.db2.gz YNMGFXUKBFGYLH-UHFFFAOYSA-N 1 2 369.379 2.876 20 30 FFEDLO C=CCN(C(=O)[C@H](C)n1cc[nH+]c1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001325987514 1046710997 /nfs/dbraw/zinc/71/09/97/1046710997.db2.gz KAZGRFCEKJBSTR-FUHWJXTLSA-N 1 2 355.438 2.633 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001285189151 1046754771 /nfs/dbraw/zinc/75/47/71/1046754771.db2.gz VKPVFFFPYUINMS-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001285189151 1046754785 /nfs/dbraw/zinc/75/47/85/1046754785.db2.gz VKPVFFFPYUINMS-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001286353769 1047081312 /nfs/dbraw/zinc/08/13/12/1047081312.db2.gz HRYCFDSVWAIXJO-BRWVUGGUSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001286353769 1047081326 /nfs/dbraw/zinc/08/13/26/1047081326.db2.gz HRYCFDSVWAIXJO-BRWVUGGUSA-N 1 2 370.497 2.567 20 30 FFEDLO N#CCOc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)cc1 ZINC001326808594 1047096600 /nfs/dbraw/zinc/09/66/00/1047096600.db2.gz BLKKAOZEAFNWAE-IBGZPJMESA-N 1 2 350.422 2.977 20 30 FFEDLO N#CCOc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)cc1 ZINC001326808594 1047096618 /nfs/dbraw/zinc/09/66/18/1047096618.db2.gz BLKKAOZEAFNWAE-IBGZPJMESA-N 1 2 350.422 2.977 20 30 FFEDLO C#CCN(CC)c1nnc(-c2ccccn2)n1CCCNc1cccc[nH+]1 ZINC001286440890 1047111156 /nfs/dbraw/zinc/11/11/56/1047111156.db2.gz BTLXIZWAHNMKAQ-UHFFFAOYSA-N 1 2 361.453 2.697 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CCCC2CCOCC2)CC1 ZINC001286480684 1047121506 /nfs/dbraw/zinc/12/15/06/1047121506.db2.gz YXRKUNNFKBWENM-UHFFFAOYSA-N 1 2 371.529 2.508 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CC2=CCCCC2)CC1 ZINC001286480139 1047121550 /nfs/dbraw/zinc/12/15/50/1047121550.db2.gz KMCOEVHLCMXCNA-LJQANCHMSA-N 1 2 369.513 2.775 20 30 FFEDLO C#CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001290302718 1047996805 /nfs/dbraw/zinc/99/68/05/1047996805.db2.gz WIMDFRFSMWWDGA-WBVHZDCISA-N 1 2 366.465 2.723 20 30 FFEDLO N#CCOc1cccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001328226834 1048232073 /nfs/dbraw/zinc/23/20/73/1048232073.db2.gz SUPGMYOIOIALSF-UHFFFAOYSA-N 1 2 361.405 2.774 20 30 FFEDLO Cc1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001290711673 1048334034 /nfs/dbraw/zinc/33/40/34/1048334034.db2.gz ADVUCTMIEBLFDG-ZDUSSCGKSA-N 1 2 353.405 2.556 20 30 FFEDLO Cc1cc2c(ncnc2N2CC[NH+](Cc3cncc(C#N)c3)CC2)s1 ZINC001333428331 1048899917 /nfs/dbraw/zinc/89/99/17/1048899917.db2.gz JOKCHZSRJIZEGZ-UHFFFAOYSA-N 1 2 350.451 2.589 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001291958249 1049018137 /nfs/dbraw/zinc/01/81/37/1049018137.db2.gz BSAIJGOAYOHPOD-YVSFHVDLSA-N 1 2 358.486 2.685 20 30 FFEDLO C=CC[C@H](NC(=O)C[N@H+](CC)Cc1ccccc1Cl)C(=O)OCC ZINC001296236198 1050040255 /nfs/dbraw/zinc/04/02/55/1050040255.db2.gz GGDZNCXCKKXYKN-INIZCTEOSA-N 1 2 352.862 2.786 20 30 FFEDLO C=CC[C@H](NC(=O)C[N@@H+](CC)Cc1ccccc1Cl)C(=O)OCC ZINC001296236198 1050040258 /nfs/dbraw/zinc/04/02/58/1050040258.db2.gz GGDZNCXCKKXYKN-INIZCTEOSA-N 1 2 352.862 2.786 20 30 FFEDLO C=CCCCC(=O)N(CCC)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001296780695 1050094175 /nfs/dbraw/zinc/09/41/75/1050094175.db2.gz KSETVEZHGAZYTJ-BRWVUGGUSA-N 1 2 358.486 2.709 20 30 FFEDLO C=CCCCC(=O)N(CCC)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001296780695 1050094179 /nfs/dbraw/zinc/09/41/79/1050094179.db2.gz KSETVEZHGAZYTJ-BRWVUGGUSA-N 1 2 358.486 2.709 20 30 FFEDLO C#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC001339706836 1050143431 /nfs/dbraw/zinc/14/34/31/1050143431.db2.gz NVALFGBQTWLDQW-CXAGYDPISA-N 1 2 370.840 2.566 20 30 FFEDLO C=CCn1c(C(CC)CC)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001339842628 1050262949 /nfs/dbraw/zinc/26/29/49/1050262949.db2.gz POMPYTKYUPCJJT-UHFFFAOYSA-N 1 2 358.490 2.986 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccccc2F)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339857310 1050275019 /nfs/dbraw/zinc/27/50/19/1050275019.db2.gz VXJXMCACFLTLSZ-QEEYODRMSA-N 1 2 373.476 2.712 20 30 FFEDLO C=CCn1c(N(C)[C@H](C)c2ccccc2F)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001339857310 1050275025 /nfs/dbraw/zinc/27/50/25/1050275025.db2.gz VXJXMCACFLTLSZ-QEEYODRMSA-N 1 2 373.476 2.712 20 30 FFEDLO C=CCn1c([C@@H](O)CC(C)(C)C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001339917134 1050333136 /nfs/dbraw/zinc/33/31/36/1050333136.db2.gz DMEICEGXRVWWLX-INIZCTEOSA-N 1 2 370.501 2.655 20 30 FFEDLO C=C(C)Cn1c(N(C)c2cccc(C)c2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001341839434 1050451610 /nfs/dbraw/zinc/45/16/10/1050451610.db2.gz NWZQMFWWRZJNTC-PXNSSMCTSA-N 1 2 355.486 2.842 20 30 FFEDLO C=C(C)Cn1c(N(C)c2cccc(C)c2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001341839434 1050451613 /nfs/dbraw/zinc/45/16/13/1050451613.db2.gz NWZQMFWWRZJNTC-PXNSSMCTSA-N 1 2 355.486 2.842 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](CF)C1 ZINC001341908424 1050508053 /nfs/dbraw/zinc/50/80/53/1050508053.db2.gz TWFIHQVFOJFTFD-INIZCTEOSA-N 1 2 360.481 2.743 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC(C)=C(C)C1 ZINC001342012985 1050608719 /nfs/dbraw/zinc/60/87/19/1050608719.db2.gz PHNUYSPRZFTUBQ-ZWKOTPCHSA-N 1 2 357.502 2.936 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC(C)=C(C)C1 ZINC001342012985 1050608724 /nfs/dbraw/zinc/60/87/24/1050608724.db2.gz PHNUYSPRZFTUBQ-ZWKOTPCHSA-N 1 2 357.502 2.936 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCc2sccc2C1 ZINC001340205229 1050613566 /nfs/dbraw/zinc/61/35/66/1050613566.db2.gz LHEYAKDYCOYWKG-INIZCTEOSA-N 1 2 373.526 2.870 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCc2sccc2C1 ZINC001340205229 1050613575 /nfs/dbraw/zinc/61/35/75/1050613575.db2.gz LHEYAKDYCOYWKG-INIZCTEOSA-N 1 2 373.526 2.870 20 30 FFEDLO C=C(C)Cn1c(N2CC[NH+](Cc3cccc(F)c3)CC2)nnc1C(C)(C)O ZINC001342064902 1050662045 /nfs/dbraw/zinc/66/20/45/1050662045.db2.gz HOPRHLNKRCVXPW-UHFFFAOYSA-N 1 2 373.476 2.543 20 30 FFEDLO C=C(Cl)Cn1c(C2CC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001301037292 1050796520 /nfs/dbraw/zinc/79/65/20/1050796520.db2.gz SRVKQJNKPDWBMJ-UHFFFAOYSA-N 1 2 358.877 2.932 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@@H](C)C2(CCC2)C1 ZINC001340450776 1050844664 /nfs/dbraw/zinc/84/46/64/1050844664.db2.gz SQISKSLQGPMQIN-QGZVFWFLSA-N 1 2 373.545 2.685 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC2(COC2)C1 ZINC001340515342 1050907543 /nfs/dbraw/zinc/90/75/43/1050907543.db2.gz BMTGACMXBLUYKZ-MRXNPFEDSA-N 1 2 356.474 2.523 20 30 FFEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1 ZINC001340516342 1050909125 /nfs/dbraw/zinc/90/91/25/1050909125.db2.gz ZRAAYOHPFLZVSQ-PXNSSMCTSA-N 1 2 368.460 2.925 20 30 FFEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1 ZINC001340516342 1050909130 /nfs/dbraw/zinc/90/91/30/1050909130.db2.gz ZRAAYOHPFLZVSQ-PXNSSMCTSA-N 1 2 368.460 2.925 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(C)(C#N)CC1 ZINC001340626805 1051006484 /nfs/dbraw/zinc/00/64/84/1051006484.db2.gz CXEMTRXWCHQQIG-UHFFFAOYSA-N 1 2 367.501 2.687 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001342492420 1051094521 /nfs/dbraw/zinc/09/45/21/1051094521.db2.gz GFFPULUICVGRSQ-HUUCEWRRSA-N 1 2 354.454 2.513 20 30 FFEDLO C=CC[C@@H]1N(c2nnc(C[N@@H+]3CCC[C@@H](O)C3)n2CC)CCCC1(C)C ZINC001341086807 1051433197 /nfs/dbraw/zinc/43/31/97/1051433197.db2.gz OCRDXOPKCMSZAK-SJORKVTESA-N 1 2 361.534 2.826 20 30 FFEDLO C=CC[C@@H]1N(c2nnc(C[N@H+]3CCC[C@@H](O)C3)n2CC)CCCC1(C)C ZINC001341086807 1051433200 /nfs/dbraw/zinc/43/32/00/1051433200.db2.gz OCRDXOPKCMSZAK-SJORKVTESA-N 1 2 361.534 2.826 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC(F)(F)C2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001343000899 1051617646 /nfs/dbraw/zinc/61/76/46/1051617646.db2.gz UNZCYMAARJCYKE-HNNXBMFYSA-N 1 2 369.460 2.525 20 30 FFEDLO C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC[N@H+]3C)n2Cc2ccccc2)C1 ZINC001341419407 1051777907 /nfs/dbraw/zinc/77/79/07/1051777907.db2.gz YRGWPAJOFIKGRW-OALUTQOASA-N 1 2 367.497 2.874 20 30 FFEDLO C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2Cc2ccccc2)C1 ZINC001341419407 1051777918 /nfs/dbraw/zinc/77/79/18/1051777918.db2.gz YRGWPAJOFIKGRW-OALUTQOASA-N 1 2 367.497 2.874 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H](C2CCC2)C1 ZINC001341441524 1051798123 /nfs/dbraw/zinc/79/81/23/1051798123.db2.gz WTZFKXSZULRALO-SFHVURJKSA-N 1 2 356.518 2.925 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@](C)(CC)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001343404055 1052208580 /nfs/dbraw/zinc/20/85/80/1052208580.db2.gz ISMDZOUWBXEXFX-VDGAXYAQSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@](C)(CC)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001343404055 1052208589 /nfs/dbraw/zinc/20/85/89/1052208589.db2.gz ISMDZOUWBXEXFX-VDGAXYAQSA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(Nc2cccc(OC)c2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001343402759 1052208609 /nfs/dbraw/zinc/20/86/09/1052208609.db2.gz BVRATZFBXGCSFP-KXBFYZLASA-N 1 2 357.458 2.518 20 30 FFEDLO C=C(C)Cn1c(Nc2cccc(OC)c2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001343402759 1052208616 /nfs/dbraw/zinc/20/86/16/1052208616.db2.gz BVRATZFBXGCSFP-KXBFYZLASA-N 1 2 357.458 2.518 20 30 FFEDLO C#CCCCCCCn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC001307301027 1052282297 /nfs/dbraw/zinc/28/22/97/1052282297.db2.gz CIDSIFJNGIYUIK-LJQANCHMSA-N 1 2 353.470 2.830 20 30 FFEDLO C#CCCCCCCn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC001307301027 1052282307 /nfs/dbraw/zinc/28/23/07/1052282307.db2.gz CIDSIFJNGIYUIK-LJQANCHMSA-N 1 2 353.470 2.830 20 30 FFEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nccn1Cc1ccccc1)[C@H]1CCSC1 ZINC001343705681 1052381612 /nfs/dbraw/zinc/38/16/12/1052381612.db2.gz SWFRHUFFVDOLIO-DLBZAZTESA-N 1 2 354.479 2.545 20 30 FFEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nccn1Cc1ccccc1)[C@H]1CCSC1 ZINC001343705681 1052381616 /nfs/dbraw/zinc/38/16/16/1052381616.db2.gz SWFRHUFFVDOLIO-DLBZAZTESA-N 1 2 354.479 2.545 20 30 FFEDLO CCCN(CC)c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@H]1CCOC1 ZINC001345410349 1052430479 /nfs/dbraw/zinc/43/04/79/1052430479.db2.gz BMVIQEOJGQPWBR-QGZVFWFLSA-N 1 2 374.533 2.644 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](CC#N)C1 ZINC001343861291 1052456593 /nfs/dbraw/zinc/45/65/93/1052456593.db2.gz FNYIYTANJBGHPA-MSOLQXFVSA-N 1 2 374.533 2.992 20 30 FFEDLO CCOCCCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](CC#N)C1 ZINC001343861291 1052456598 /nfs/dbraw/zinc/45/65/98/1052456598.db2.gz FNYIYTANJBGHPA-MSOLQXFVSA-N 1 2 374.533 2.992 20 30 FFEDLO C[C@@H](CCC#N)C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001308620099 1052477440 /nfs/dbraw/zinc/47/74/40/1052477440.db2.gz RTCPYXSUUUVPTC-ZDUSSCGKSA-N 1 2 373.881 2.725 20 30 FFEDLO N#Cc1cc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)cs1 ZINC001345787602 1052612492 /nfs/dbraw/zinc/61/24/92/1052612492.db2.gz IHYSWIVNGWLPFN-HNNXBMFYSA-N 1 2 357.391 2.959 20 30 FFEDLO N#Cc1cc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cs1 ZINC001345787602 1052612493 /nfs/dbraw/zinc/61/24/93/1052612493.db2.gz IHYSWIVNGWLPFN-HNNXBMFYSA-N 1 2 357.391 2.959 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC001345984415 1052695331 /nfs/dbraw/zinc/69/53/31/1052695331.db2.gz XBFKKRDLTCRVMB-KSSFIOAISA-N 1 2 369.460 2.699 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(CCOC)Cc1ccco1 ZINC001346188355 1052782214 /nfs/dbraw/zinc/78/22/14/1052782214.db2.gz YKTPWBQFIYRLHI-KRWDZBQOSA-N 1 2 359.474 2.867 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(CCOC)Cc1ccco1 ZINC001346188355 1052782222 /nfs/dbraw/zinc/78/22/22/1052782222.db2.gz YKTPWBQFIYRLHI-KRWDZBQOSA-N 1 2 359.474 2.867 20 30 FFEDLO CO[C@@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC(C)C)C1 ZINC001344488131 1052797188 /nfs/dbraw/zinc/79/71/88/1052797188.db2.gz BRODICJIBNVXAW-GOSISDBHSA-N 1 2 374.533 2.642 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C2CCC1(CO)CC2 ZINC001335128585 1053227428 /nfs/dbraw/zinc/22/74/28/1053227428.db2.gz AFZXDJURGNLKHA-TZGCNFNXSA-N 1 2 359.495 2.866 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C2CCC1(CO)CC2 ZINC001335128585 1053227433 /nfs/dbraw/zinc/22/74/33/1053227433.db2.gz AFZXDJURGNLKHA-TZGCNFNXSA-N 1 2 359.495 2.866 20 30 FFEDLO CCNc1cc(CNC(=O)N(CCOC)Cc2ccc(C#N)cc2)cc[nH+]1 ZINC001346810236 1053332669 /nfs/dbraw/zinc/33/26/69/1053332669.db2.gz HXCFHFUXAOOFHZ-UHFFFAOYSA-N 1 2 367.453 2.743 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](C[C@H]3CCC[C@H](C(F)(F)F)O3)CC2)n1 ZINC001335803310 1053575662 /nfs/dbraw/zinc/57/56/62/1053575662.db2.gz YANHKDXERIDXGI-HUUCEWRRSA-N 1 2 354.376 2.575 20 30 FFEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(C#N)CC1 ZINC001347646710 1054189117 /nfs/dbraw/zinc/18/91/17/1054189117.db2.gz ZMZPARKZGKWADY-UHFFFAOYSA-N 1 2 369.517 2.767 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001347948273 1054490777 /nfs/dbraw/zinc/49/07/77/1054490777.db2.gz DHPJYKRZFNUHEV-SFHVURJKSA-N 1 2 365.495 2.536 20 30 FFEDLO O=C(CC1CC(F)(F)C1)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001347948379 1054491176 /nfs/dbraw/zinc/49/11/76/1054491176.db2.gz GGXBWCUMHXGTET-UHFFFAOYSA-N 1 2 369.433 2.910 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)CCCSC ZINC001351534605 1054888252 /nfs/dbraw/zinc/88/82/52/1054888252.db2.gz JKIWMMVGPJTJAR-HZPDHXFCSA-N 1 2 365.547 2.579 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)CCCSC ZINC001351534605 1054888257 /nfs/dbraw/zinc/88/82/57/1054888257.db2.gz JKIWMMVGPJTJAR-HZPDHXFCSA-N 1 2 365.547 2.579 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)C1 ZINC001337651160 1054921049 /nfs/dbraw/zinc/92/10/49/1054921049.db2.gz VVCUUNOIKHHZGT-INIZCTEOSA-N 1 2 356.388 2.854 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)C1 ZINC001337651160 1054921059 /nfs/dbraw/zinc/92/10/59/1054921059.db2.gz VVCUUNOIKHHZGT-INIZCTEOSA-N 1 2 356.388 2.854 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(c2nc(C)no2)CC1 ZINC001351615405 1054921594 /nfs/dbraw/zinc/92/15/94/1054921594.db2.gz JBMGCIQCSKEPCM-INIZCTEOSA-N 1 2 371.489 2.696 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(c2nc(C)no2)CC1 ZINC001351615405 1054921601 /nfs/dbraw/zinc/92/16/01/1054921601.db2.gz JBMGCIQCSKEPCM-INIZCTEOSA-N 1 2 371.489 2.696 20 30 FFEDLO C=CCn1c([C@H](C)CCC#N)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001338724111 1055761853 /nfs/dbraw/zinc/76/18/53/1055761853.db2.gz UBBSETXRGJAGAU-QGZVFWFLSA-N 1 2 365.485 2.589 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@H](C2CC2)C1 ZINC001357152680 1055797386 /nfs/dbraw/zinc/79/73/86/1055797386.db2.gz QGEWUUOLTHGHAO-ZWKOTPCHSA-N 1 2 359.518 2.872 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@H](C2CC2)C1 ZINC001357152680 1055797398 /nfs/dbraw/zinc/79/73/98/1055797398.db2.gz QGEWUUOLTHGHAO-ZWKOTPCHSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001338795765 1055822740 /nfs/dbraw/zinc/82/27/40/1055822740.db2.gz QUDBLXQOXWGXAP-QGZVFWFLSA-N 1 2 369.517 2.568 20 30 FFEDLO C=CC[C@H]1CCN1C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001338800965 1055828140 /nfs/dbraw/zinc/82/81/40/1055828140.db2.gz CUZWSFPYCRAWJI-INIZCTEOSA-N 1 2 362.433 2.717 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)(C)C ZINC001338875334 1055892628 /nfs/dbraw/zinc/89/26/28/1055892628.db2.gz XVUIAYDNSDTRLB-IIAWOOMASA-N 1 2 360.502 2.763 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)(C)C ZINC001338875334 1055892633 /nfs/dbraw/zinc/89/26/33/1055892633.db2.gz XVUIAYDNSDTRLB-IIAWOOMASA-N 1 2 360.502 2.763 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1cc(C)ccc1F ZINC001339091560 1056083071 /nfs/dbraw/zinc/08/30/71/1056083071.db2.gz XMOIKTVKFNBBOX-UHFFFAOYSA-N 1 2 354.433 2.872 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001339367914 1056380209 /nfs/dbraw/zinc/38/02/09/1056380209.db2.gz MKERBPKNLUXJPB-GJZGRUSLSA-N 1 2 362.547 2.721 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001339499732 1056517781 /nfs/dbraw/zinc/51/77/81/1056517781.db2.gz LWVZJOVYFLSSMC-QZTJIDSGSA-N 1 2 372.517 2.539 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1c[nH+]ccc1OC ZINC001358896206 1056588841 /nfs/dbraw/zinc/58/88/41/1056588841.db2.gz ZKEFJOYTTAYHSI-HNNXBMFYSA-N 1 2 353.470 2.921 20 30 FFEDLO Cc1cc(NCCNC(=O)NCC#Cc2ccccc2)nc(C(C)C)[nH+]1 ZINC000623402279 1056592312 /nfs/dbraw/zinc/59/23/12/1056592312.db2.gz FEEJUIFTMZYWEV-UHFFFAOYSA-N 1 2 351.454 2.671 20 30 FFEDLO C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001359071147 1056691201 /nfs/dbraw/zinc/69/12/01/1056691201.db2.gz FYNLLPVVSWQRAF-LAUBAEHRSA-N 1 2 373.545 2.580 20 30 FFEDLO C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001359071147 1056691205 /nfs/dbraw/zinc/69/12/05/1056691205.db2.gz FYNLLPVVSWQRAF-LAUBAEHRSA-N 1 2 373.545 2.580 20 30 FFEDLO C=CC1CCN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001359173075 1056759421 /nfs/dbraw/zinc/75/94/21/1056759421.db2.gz TXLMLMGMWAWKLQ-MRXNPFEDSA-N 1 2 361.534 2.699 20 30 FFEDLO C=CC1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001359173075 1056759429 /nfs/dbraw/zinc/75/94/29/1056759429.db2.gz TXLMLMGMWAWKLQ-MRXNPFEDSA-N 1 2 361.534 2.699 20 30 FFEDLO C=CC1CCN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001359173074 1056759512 /nfs/dbraw/zinc/75/95/12/1056759512.db2.gz TXLMLMGMWAWKLQ-INIZCTEOSA-N 1 2 361.534 2.699 20 30 FFEDLO C=CC1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001359173074 1056759523 /nfs/dbraw/zinc/75/95/23/1056759523.db2.gz TXLMLMGMWAWKLQ-INIZCTEOSA-N 1 2 361.534 2.699 20 30 FFEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC001300400090 1058178051 /nfs/dbraw/zinc/17/80/51/1058178051.db2.gz NXVIPCHVDSBSOK-OAQYLSRUSA-N 1 2 372.428 2.924 20 30 FFEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)c2c[nH+]ccc2Nc2ccccc2)CC1 ZINC001443044372 1058178611 /nfs/dbraw/zinc/17/86/11/1058178611.db2.gz AUXARBXKFUJKEQ-HXUWFJFHSA-N 1 2 363.465 2.553 20 30 FFEDLO C#CC[C@@H](CC)c1nnc(N2CC[NH+](CC#C)CC2)n1Cc1cccs1 ZINC001518568127 1058425482 /nfs/dbraw/zinc/42/54/82/1058425482.db2.gz HOCFNDAJMGEPLZ-QGZVFWFLSA-N 1 2 367.522 2.660 20 30 FFEDLO N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)n2)c(Cl)c1 ZINC001446684079 1058539565 /nfs/dbraw/zinc/53/95/65/1058539565.db2.gz ZCEQCCAGGHQYFS-VXGBXAGGSA-N 1 2 352.785 2.863 20 30 FFEDLO N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)n2)c(Cl)c1 ZINC001446684079 1058539584 /nfs/dbraw/zinc/53/95/84/1058539584.db2.gz ZCEQCCAGGHQYFS-VXGBXAGGSA-N 1 2 352.785 2.863 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001514124633 1058774275 /nfs/dbraw/zinc/77/42/75/1058774275.db2.gz MWMRIWMXDTTWSX-SJLPKXTDSA-N 1 2 360.502 2.762 20 30 FFEDLO COc1cc[nH+]cc1Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H](C)C#N ZINC001504454465 1059182807 /nfs/dbraw/zinc/18/28/07/1059182807.db2.gz WJUJBKQXTSZAEC-ZDUSSCGKSA-N 1 2 366.425 2.894 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2[C@H]2C[C@@H]2C)CC1 ZINC001300707593 1059442999 /nfs/dbraw/zinc/44/29/99/1059442999.db2.gz GKJZTNYVNCJWLL-HKUYNNGSSA-N 1 2 365.481 2.502 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCCO[C@@H](C)C1 ZINC001515293964 1059508849 /nfs/dbraw/zinc/50/88/49/1059508849.db2.gz BMMDTZBOHXDVFW-KRWDZBQOSA-N 1 2 372.517 2.562 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(NC(=O)CCC)CC1 ZINC001520304753 1059589216 /nfs/dbraw/zinc/58/92/16/1059589216.db2.gz AUXHSYRYKPRJLT-KRWDZBQOSA-N 1 2 374.533 2.506 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(NC(=O)CCC)CC1 ZINC001520304753 1059589231 /nfs/dbraw/zinc/58/92/31/1059589231.db2.gz AUXHSYRYKPRJLT-KRWDZBQOSA-N 1 2 374.533 2.506 20 30 FFEDLO C=CCn1c(-c2cc(C)on2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001520325483 1059611536 /nfs/dbraw/zinc/61/15/36/1059611536.db2.gz HRACCSTXXWARMV-UHFFFAOYSA-N 1 2 365.441 2.903 20 30 FFEDLO C=CCC(CC=C)C(=O)N(C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001508294741 1059849779 /nfs/dbraw/zinc/84/97/79/1059849779.db2.gz VWPZSXXWQBXOJK-KZNAEPCWSA-N 1 2 370.497 2.731 20 30 FFEDLO C=CCC(CC=C)C(=O)N(C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001508294741 1059849804 /nfs/dbraw/zinc/84/98/04/1059849804.db2.gz VWPZSXXWQBXOJK-KZNAEPCWSA-N 1 2 370.497 2.731 20 30 FFEDLO C=CCCC[C@@H](NC(=O)c1c[nH+]ccc1Nc1ccccc1)C(=O)OC ZINC001455839032 1059929246 /nfs/dbraw/zinc/92/92/46/1059929246.db2.gz XOVKLSBJLUQKJG-GOSISDBHSA-N 1 2 353.422 2.875 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)Cc1ccc(C(C)C)cc1 ZINC001355920901 1060729303 /nfs/dbraw/zinc/72/93/03/1060729303.db2.gz YFNRSRUIVTWXTM-OALUTQOASA-N 1 2 369.513 2.961 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)Cc1ccc(C(C)C)cc1 ZINC001355920901 1060729320 /nfs/dbraw/zinc/72/93/20/1060729320.db2.gz YFNRSRUIVTWXTM-OALUTQOASA-N 1 2 369.513 2.961 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001355929057 1060736593 /nfs/dbraw/zinc/73/65/93/1060736593.db2.gz HOPIBFJYYBCDGD-CVEARBPZSA-N 1 2 371.489 2.696 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001355929057 1060736605 /nfs/dbraw/zinc/73/66/05/1060736605.db2.gz HOPIBFJYYBCDGD-CVEARBPZSA-N 1 2 371.489 2.696 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC001460640431 1061043665 /nfs/dbraw/zinc/04/36/65/1061043665.db2.gz VSEWSBPDSLHXMX-ZDUSSCGKSA-N 1 2 353.344 2.590 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC001460640431 1061043681 /nfs/dbraw/zinc/04/36/81/1061043681.db2.gz VSEWSBPDSLHXMX-ZDUSSCGKSA-N 1 2 353.344 2.590 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](CO)c2cc(F)ccc2F)c(C#N)c1C ZINC001460950150 1061162110 /nfs/dbraw/zinc/16/21/10/1061162110.db2.gz NBZYLGPVLAUZDG-HWPZZCPQSA-N 1 2 363.364 2.697 20 30 FFEDLO CC(C)n1nccc1C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001526991797 1061350830 /nfs/dbraw/zinc/35/08/30/1061350830.db2.gz GHGSDIBHZZFXLZ-UHFFFAOYSA-N 1 2 373.478 2.566 20 30 FFEDLO C=CCCC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C3)CC1 ZINC001522149431 1061623565 /nfs/dbraw/zinc/62/35/65/1061623565.db2.gz JVBDSRQLJCSDJD-BDXSIMOUSA-N 1 2 370.497 2.829 20 30 FFEDLO C=C(C)Cn1c(Nc2ccc(OC)cc2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001523776403 1062617971 /nfs/dbraw/zinc/61/79/71/1062617971.db2.gz AMGNSENTHRMICJ-KXBFYZLASA-N 1 2 357.458 2.518 20 30 FFEDLO C=C(C)Cn1c(Nc2ccc(OC)cc2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001523776403 1062617982 /nfs/dbraw/zinc/61/79/82/1062617982.db2.gz AMGNSENTHRMICJ-KXBFYZLASA-N 1 2 357.458 2.518 20 30 FFEDLO Cc1conc1C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C#CC2CC2)C1 ZINC001479617054 1062624053 /nfs/dbraw/zinc/62/40/53/1062624053.db2.gz HODPVOWBGOGEHD-TZIWHRDSSA-N 1 2 363.461 2.871 20 30 FFEDLO Cc1conc1C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C#CC2CC2)C1 ZINC001479617054 1062624065 /nfs/dbraw/zinc/62/40/65/1062624065.db2.gz HODPVOWBGOGEHD-TZIWHRDSSA-N 1 2 363.461 2.871 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccon2)CC[C@@H]1c1ccccc1 ZINC001479618541 1062626977 /nfs/dbraw/zinc/62/69/77/1062626977.db2.gz ZDSISUNVSYRJBB-WOJBJXKFSA-N 1 2 351.450 2.952 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccon2)CC[C@@H]1c1ccccc1 ZINC001479618541 1062626990 /nfs/dbraw/zinc/62/69/90/1062626990.db2.gz ZDSISUNVSYRJBB-WOJBJXKFSA-N 1 2 351.450 2.952 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[N@H+](Cc3nc(CCC)no3)CC[C@@H]2C1 ZINC001479671127 1062782064 /nfs/dbraw/zinc/78/20/64/1062782064.db2.gz YLESEKNQKLWRLS-BBWFWOEESA-N 1 2 360.502 2.905 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[N@@H+](Cc3nc(CCC)no3)CC[C@@H]2C1 ZINC001479671127 1062782079 /nfs/dbraw/zinc/78/20/79/1062782079.db2.gz YLESEKNQKLWRLS-BBWFWOEESA-N 1 2 360.502 2.905 20 30 FFEDLO C=C[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2CC)[C@@H]1C)c1ccccc1 ZINC001479728700 1062967605 /nfs/dbraw/zinc/96/76/05/1062967605.db2.gz RGJJESLSNPCIKX-HLIPFELVSA-N 1 2 367.497 2.737 20 30 FFEDLO C=C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2cnnn2CC)[C@@H]1C)c1ccccc1 ZINC001479728700 1062967629 /nfs/dbraw/zinc/96/76/29/1062967629.db2.gz RGJJESLSNPCIKX-HLIPFELVSA-N 1 2 367.497 2.737 20 30 FFEDLO C#CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1nccs1 ZINC001532081924 1062971642 /nfs/dbraw/zinc/97/16/42/1062971642.db2.gz XNBGANRDPOOFPM-UHFFFAOYSA-N 1 2 353.363 2.517 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](Cc2csc(Cl)n2)C1 ZINC001494063356 1063282479 /nfs/dbraw/zinc/28/24/79/1063282479.db2.gz WATKYIKRXLGGLR-CFVMTHIKSA-N 1 2 369.918 2.716 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](Cc2csc(Cl)n2)C1 ZINC001494063356 1063282503 /nfs/dbraw/zinc/28/25/03/1063282503.db2.gz WATKYIKRXLGGLR-CFVMTHIKSA-N 1 2 369.918 2.716 20 30 FFEDLO C=CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001466893174 1063586874 /nfs/dbraw/zinc/58/68/74/1063586874.db2.gz RWGZKFHSEYQGRN-QFBILLFUSA-N 1 2 369.465 2.777 20 30 FFEDLO C=CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001466893174 1063586892 /nfs/dbraw/zinc/58/68/92/1063586892.db2.gz RWGZKFHSEYQGRN-QFBILLFUSA-N 1 2 369.465 2.777 20 30 FFEDLO C=C(C)CC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)c2cnccc2C)CC1 ZINC001575049894 1078101432 /nfs/dbraw/zinc/10/14/32/1078101432.db2.gz SVXHVAQIPRXOTJ-UHFFFAOYSA-N 1 2 368.485 2.581 20 30 FFEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC001473137270 1065205104 /nfs/dbraw/zinc/20/51/04/1065205104.db2.gz NCHRQLAVBCMAHK-INIZCTEOSA-N 1 2 367.424 2.675 20 30 FFEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC001473137270 1065205109 /nfs/dbraw/zinc/20/51/09/1065205109.db2.gz NCHRQLAVBCMAHK-INIZCTEOSA-N 1 2 367.424 2.675 20 30 FFEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2c2c[nH]nn2)cc1Cl ZINC001577714959 1078391094 /nfs/dbraw/zinc/39/10/94/1078391094.db2.gz DLEKDOYJDHXNCB-MRXNPFEDSA-N 1 2 358.833 2.886 20 30 FFEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2c2c[nH]nn2)cc1Cl ZINC001577714959 1078391095 /nfs/dbraw/zinc/39/10/95/1078391095.db2.gz DLEKDOYJDHXNCB-MRXNPFEDSA-N 1 2 358.833 2.886 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001580248357 1078774320 /nfs/dbraw/zinc/77/43/20/1078774320.db2.gz BOMIRGHEGVFJRF-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001580248357 1078774323 /nfs/dbraw/zinc/77/43/23/1078774323.db2.gz BOMIRGHEGVFJRF-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO CO[C@@H]1C[C@H](c2[nH]c(C)c(C)[nH+]2)N(C(=O)[C@@H]2C[C@H](C(C)=NO)C2(C)C)C1 ZINC001550387398 1074241390 /nfs/dbraw/zinc/24/13/90/1074241390.db2.gz DNQXIPYVTXPZJN-LVQVYYBASA-N 1 2 362.474 2.827 20 30 FFEDLO COc1cc[nH+]cc1Cn1c(CC2CC2)nnc1N1CCC(CC#N)CC1 ZINC001555123890 1075645061 /nfs/dbraw/zinc/64/50/61/1075645061.db2.gz VNRJAYAXMDOYMX-UHFFFAOYSA-N 1 2 366.469 2.813 20 30 FFEDLO CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001558353228 1075987701 /nfs/dbraw/zinc/98/77/01/1075987701.db2.gz PNBPVEFUKLVKGY-HOTGVXAUSA-N 1 2 374.485 2.997 20 30 FFEDLO C#CC[NH+]1CCN(c2ncncc2-c2ccc(Br)cc2)CC1 ZINC001559060926 1076122054 /nfs/dbraw/zinc/12/20/54/1076122054.db2.gz KKMHINYNRDRRNQ-UHFFFAOYSA-N 1 2 357.255 2.661 20 30 FFEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC001559745269 1076187262 /nfs/dbraw/zinc/18/72/62/1076187262.db2.gz LSQUQDGMYUVBSN-UHFFFAOYSA-N 1 2 364.832 2.998 20 30 FFEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC001559745269 1076187264 /nfs/dbraw/zinc/18/72/64/1076187264.db2.gz LSQUQDGMYUVBSN-UHFFFAOYSA-N 1 2 364.832 2.998 20 30 FFEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001560143185 1076234160 /nfs/dbraw/zinc/23/41/60/1076234160.db2.gz SQOCEIAWNYIBKF-KXBFYZLASA-N 1 2 352.475 2.827 20 30 FFEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001560143185 1076234163 /nfs/dbraw/zinc/23/41/63/1076234163.db2.gz SQOCEIAWNYIBKF-KXBFYZLASA-N 1 2 352.475 2.827 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H](C)c2c(F)cccc2F)c1 ZINC001560160196 1076239228 /nfs/dbraw/zinc/23/92/28/1076239228.db2.gz QDTNZGSYAJGVOH-GFCCVEGCSA-N 1 2 357.360 2.945 20 30 FFEDLO C=CC[N@@H+](CC(C)(C)c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001560679618 1076291383 /nfs/dbraw/zinc/29/13/83/1076291383.db2.gz SVNWLYCUZHFBKF-MRXNPFEDSA-N 1 2 367.511 2.657 20 30 FFEDLO C=CC[N@H+](CC(C)(C)c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001560679618 1076291385 /nfs/dbraw/zinc/29/13/85/1076291385.db2.gz SVNWLYCUZHFBKF-MRXNPFEDSA-N 1 2 367.511 2.657 20 30 FFEDLO C[C@H]1CC(NC(=O)[C@@H](c2cccc(Br)c2)[NH+]2CCCC2)=NO1 ZINC001567210324 1077005224 /nfs/dbraw/zinc/00/52/24/1077005224.db2.gz HVYGADVJCKHVHU-XHDPSFHLSA-N 1 2 366.259 2.825 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)(C)C ZINC001572527044 1077333935 /nfs/dbraw/zinc/33/39/35/1077333935.db2.gz DKMNOQQVLAQJMO-FMKPAKJESA-N 1 2 360.502 2.763 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)(C)C ZINC001572527044 1077333939 /nfs/dbraw/zinc/33/39/39/1077333939.db2.gz DKMNOQQVLAQJMO-FMKPAKJESA-N 1 2 360.502 2.763 20 30 FFEDLO C=C(C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001573177122 1077561770 /nfs/dbraw/zinc/56/17/70/1077561770.db2.gz HZCCQWYPPSCETC-JKSUJKDBSA-N 1 2 354.454 2.705 20 30 FFEDLO C=CCCCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001573231737 1077614301 /nfs/dbraw/zinc/61/43/01/1077614301.db2.gz VOAOLZKFIGYUPX-NUJGCVRESA-N 1 2 360.502 2.688 20 30 FFEDLO C=CCCCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001573231737 1077614302 /nfs/dbraw/zinc/61/43/02/1077614302.db2.gz VOAOLZKFIGYUPX-NUJGCVRESA-N 1 2 360.502 2.688 20 30 FFEDLO C=CC1(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH]c[nH+]2)C3)CCCCC1 ZINC001574608450 1078034079 /nfs/dbraw/zinc/03/40/79/1078034079.db2.gz FPKUUBQAPVZSFZ-KURKYZTESA-N 1 2 370.497 2.727 20 30 FFEDLO N#Cc1ccc(OCC(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)cc1 ZINC001586123904 1079552618 /nfs/dbraw/zinc/55/26/18/1079552618.db2.gz IVUGOMIFNJUYCO-SFHVURJKSA-N 1 2 355.825 2.764 20 30 FFEDLO O=C(c1ccc(C#Cc2ccccc2)cc1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001586686501 1079667999 /nfs/dbraw/zinc/66/79/99/1079667999.db2.gz YQPGTPYPTVPXLJ-NRFANRHFSA-N 1 2 356.429 2.596 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1CCc1cn2ccccc2[nH+]1 ZINC001587614477 1079827894 /nfs/dbraw/zinc/82/78/94/1079827894.db2.gz JFXXZGXAXWIWRP-OAHLLOKOSA-N 1 2 359.437 2.622 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCCNc1cccc[nH+]1 ZINC001587632696 1079832212 /nfs/dbraw/zinc/83/22/12/1079832212.db2.gz OIIUUJXDDOXLEX-IAGOWNOFSA-N 1 2 368.485 2.527 20 30 FFEDLO C#CCN(CC#CC)c1nnc(CC2CC2)n1CCCNc1cccc[nH+]1 ZINC001588245434 1079955299 /nfs/dbraw/zinc/95/52/99/1079955299.db2.gz DIEZPWIGXNXXID-UHFFFAOYSA-N 1 2 362.481 2.591 20 30 FFEDLO C#CCN(CC)c1nnc([C@H]2CCOC2)n1CCCc1cccc(C)[nH+]1 ZINC001588388190 1080001747 /nfs/dbraw/zinc/00/17/47/1080001747.db2.gz YQNAPSDBZXCGIQ-KRWDZBQOSA-N 1 2 353.470 2.578 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCCC=C)CC1 ZINC001588848848 1080217204 /nfs/dbraw/zinc/21/72/04/1080217204.db2.gz OFCDXCKTGMWLRH-UHFFFAOYSA-N 1 2 367.472 2.729 20 30 FFEDLO C[N@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000093385502 250032097 /nfs/dbraw/zinc/03/20/97/250032097.db2.gz LOYCUXBBINJRNM-GOSISDBHSA-N 1 2 363.396 2.582 20 30 FFEDLO C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000093385502 250032101 /nfs/dbraw/zinc/03/21/01/250032101.db2.gz LOYCUXBBINJRNM-GOSISDBHSA-N 1 2 363.396 2.582 20 30 FFEDLO C[C@@H](C1CC1)N(C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1)C1CC1 ZINC000101558245 250076184 /nfs/dbraw/zinc/07/61/84/250076184.db2.gz AIJCWTPZVQVQIZ-HNNXBMFYSA-N 1 2 370.472 2.609 20 30 FFEDLO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ncn(C)n1 ZINC000275598907 256028286 /nfs/dbraw/zinc/02/82/86/256028286.db2.gz RJHPBWYFIRJOHH-GFCCVEGCSA-N 1 2 372.498 2.697 20 30 FFEDLO CC[NH+](CC)Cc1nc(C2(NCc3cc(C#N)n(C)c3)CCCC2)no1 ZINC000276936898 256144415 /nfs/dbraw/zinc/14/44/15/256144415.db2.gz FKMXEXGEEITOHK-UHFFFAOYSA-N 1 2 356.474 2.681 20 30 FFEDLO Cc1cc(OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)ccc1C#N ZINC000277397356 256193684 /nfs/dbraw/zinc/19/36/84/256193684.db2.gz CLFMCXYSVSFKHF-UHFFFAOYSA-N 1 2 365.433 2.716 20 30 FFEDLO CC(C)(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc(F)cc(C#N)c1 ZINC000285780610 257004436 /nfs/dbraw/zinc/00/44/36/257004436.db2.gz OAHFVMZJWFRXPI-KRWDZBQOSA-N 1 2 352.413 2.765 20 30 FFEDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000277772493 256237667 /nfs/dbraw/zinc/23/76/67/256237667.db2.gz NFBHQFBDPKBZCN-CQSZACIVSA-N 1 2 371.300 2.720 20 30 FFEDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000277772493 256237668 /nfs/dbraw/zinc/23/76/68/256237668.db2.gz NFBHQFBDPKBZCN-CQSZACIVSA-N 1 2 371.300 2.720 20 30 FFEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(Oc3ncccc3F)CC2)c1 ZINC000278415201 256309859 /nfs/dbraw/zinc/30/98/59/256309859.db2.gz YLKBZCGEWSWWPF-UHFFFAOYSA-N 1 2 354.385 2.574 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCO1 ZINC000278687447 256337872 /nfs/dbraw/zinc/33/78/72/256337872.db2.gz GQYPOPPKPUSUBK-GDBMZVCRSA-N 1 2 370.457 2.890 20 30 FFEDLO CCn1nccc1C1CC[NH+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000278939476 256364314 /nfs/dbraw/zinc/36/43/14/256364314.db2.gz UGUHTTZAFYGGMH-LJQANCHMSA-N 1 2 352.438 2.868 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)[S@@]1=O ZINC000285847685 257007719 /nfs/dbraw/zinc/00/77/19/257007719.db2.gz HYFRYSGONQFCCX-ZEZBYCSMSA-N 1 2 356.495 2.690 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)[S@@]1=O ZINC000285847685 257007720 /nfs/dbraw/zinc/00/77/20/257007720.db2.gz HYFRYSGONQFCCX-ZEZBYCSMSA-N 1 2 356.495 2.690 20 30 FFEDLO Cc1cc(C#N)nc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)n1 ZINC000286346619 257032444 /nfs/dbraw/zinc/03/24/44/257032444.db2.gz WFEJZAJMWLKEMD-UHFFFAOYSA-N 1 2 350.451 2.589 20 30 FFEDLO COc1cc[nH+]cc1COC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000286709607 257051076 /nfs/dbraw/zinc/05/10/76/257051076.db2.gz CZVIYHLJHIZDLV-CQSZACIVSA-N 1 2 355.369 2.671 20 30 FFEDLO N#Cc1cccc(C#N)c1N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000302881076 258113746 /nfs/dbraw/zinc/11/37/46/258113746.db2.gz IUGKREMVOTWSCA-UHFFFAOYSA-N 1 2 368.444 2.938 20 30 FFEDLO CCOC(=O)C[N@@H+]1CCCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000301578536 258056602 /nfs/dbraw/zinc/05/66/02/258056602.db2.gz OKXPRFYPZHRBNY-UHFFFAOYSA-N 1 2 372.856 2.835 20 30 FFEDLO CCOC(=O)C[N@H+]1CCCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000301578536 258056603 /nfs/dbraw/zinc/05/66/03/258056603.db2.gz OKXPRFYPZHRBNY-UHFFFAOYSA-N 1 2 372.856 2.835 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)CCC2 ZINC000366699194 512145820 /nfs/dbraw/zinc/14/58/20/512145820.db2.gz GMZZVQINZBGOKW-CYBMUJFWSA-N 1 2 364.858 2.573 20 30 FFEDLO N#Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)nc1Cl ZINC000375086093 512155293 /nfs/dbraw/zinc/15/52/93/512155293.db2.gz YPUIYNPWCWGEDA-UHFFFAOYSA-N 1 2 355.760 2.861 20 30 FFEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1CCCCC(C)(C)C#N ZINC000373114630 512178410 /nfs/dbraw/zinc/17/84/10/512178410.db2.gz BQHHPQXDTCISHF-SFHVURJKSA-N 1 2 353.470 2.836 20 30 FFEDLO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2cc(C#N)c3ccccc3n2)CC1 ZINC000377331575 512220348 /nfs/dbraw/zinc/22/03/48/512220348.db2.gz UOXAGIJDTHFCMI-UHFFFAOYSA-N 1 2 374.448 2.691 20 30 FFEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000371132262 512234993 /nfs/dbraw/zinc/23/49/93/512234993.db2.gz VKQDZOWDRJGMKX-XLIONFOSSA-N 1 2 351.454 2.519 20 30 FFEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000371132262 512234997 /nfs/dbraw/zinc/23/49/97/512234997.db2.gz VKQDZOWDRJGMKX-XLIONFOSSA-N 1 2 351.454 2.519 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cccc(Br)c2OC)C1=O ZINC000410384365 512250085 /nfs/dbraw/zinc/25/00/85/512250085.db2.gz UQXAIUYXSOVFLY-CQSZACIVSA-N 1 2 353.260 2.676 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cccc(Br)c2OC)C1=O ZINC000410384365 512250091 /nfs/dbraw/zinc/25/00/91/512250091.db2.gz UQXAIUYXSOVFLY-CQSZACIVSA-N 1 2 353.260 2.676 20 30 FFEDLO Cc1cccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000053701970 506434199 /nfs/dbraw/zinc/43/41/99/506434199.db2.gz JIXMWWXVWVHLPL-UHFFFAOYSA-N 1 2 369.490 2.763 20 30 FFEDLO Cc1cccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000053701970 506434205 /nfs/dbraw/zinc/43/42/05/506434205.db2.gz JIXMWWXVWVHLPL-UHFFFAOYSA-N 1 2 369.490 2.763 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCN(c2ccccn2)CC1 ZINC000038712382 506444599 /nfs/dbraw/zinc/44/45/99/506444599.db2.gz GPZGKDGEHWPVDA-CQSZACIVSA-N 1 2 369.856 2.756 20 30 FFEDLO CN(Cc1ccccc1F)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369212679 512284926 /nfs/dbraw/zinc/28/49/26/512284926.db2.gz BZUQZSXTXYGEBH-UHFFFAOYSA-N 1 2 366.440 2.736 20 30 FFEDLO CCOc1cc2c(cc1OCC)C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000007873252 506597330 /nfs/dbraw/zinc/59/73/30/506597330.db2.gz NYFXUFFREHLDPN-OAQYLSRUSA-N 1 2 373.497 2.897 20 30 FFEDLO CCOc1cc2c(cc1OCC)C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000007873252 506597338 /nfs/dbraw/zinc/59/73/38/506597338.db2.gz NYFXUFFREHLDPN-OAQYLSRUSA-N 1 2 373.497 2.897 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000066848445 506665127 /nfs/dbraw/zinc/66/51/27/506665127.db2.gz IKHUXTARILDVGJ-AZUAARDMSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000066848445 506665134 /nfs/dbraw/zinc/66/51/34/506665134.db2.gz IKHUXTARILDVGJ-AZUAARDMSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccccc1OCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067523306 506908778 /nfs/dbraw/zinc/90/87/78/506908778.db2.gz WQEMADYSBYNIFE-UHFFFAOYSA-N 1 2 350.353 2.578 20 30 FFEDLO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000371293344 512311248 /nfs/dbraw/zinc/31/12/48/512311248.db2.gz VLTBMCPBHQUTKO-FPOVZHCZSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1cccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000371293344 512311251 /nfs/dbraw/zinc/31/12/51/512311251.db2.gz VLTBMCPBHQUTKO-FPOVZHCZSA-N 1 2 352.434 2.680 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC4(C3)Oc3ccccc3O4)o2)cc1 ZINC000377526508 512311269 /nfs/dbraw/zinc/31/12/69/512311269.db2.gz FTVNVBWESZQDKY-UHFFFAOYSA-N 1 2 360.373 2.982 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC4(C3)Oc3ccccc3O4)o2)cc1 ZINC000377526508 512311273 /nfs/dbraw/zinc/31/12/73/512311273.db2.gz FTVNVBWESZQDKY-UHFFFAOYSA-N 1 2 360.373 2.982 20 30 FFEDLO Cc1cccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000371293343 512311467 /nfs/dbraw/zinc/31/14/67/512311467.db2.gz VLTBMCPBHQUTKO-CTNGQTDRSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1cccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000371293343 512311472 /nfs/dbraw/zinc/31/14/72/512311472.db2.gz VLTBMCPBHQUTKO-CTNGQTDRSA-N 1 2 352.434 2.680 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000056411448 507007546 /nfs/dbraw/zinc/00/75/46/507007546.db2.gz GBNAXAFGRHAWJG-AWEZNQCLSA-N 1 2 372.450 2.504 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@H+](CCC(=O)N3CCc4ccccc43)CCO2)c1 ZINC000371297287 512313161 /nfs/dbraw/zinc/31/31/61/512313161.db2.gz IZQNLTMCTATWIY-OAQYLSRUSA-N 1 2 361.445 2.911 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@@H+](CCC(=O)N3CCc4ccccc43)CCO2)c1 ZINC000371297287 512313163 /nfs/dbraw/zinc/31/31/63/512313163.db2.gz IZQNLTMCTATWIY-OAQYLSRUSA-N 1 2 361.445 2.911 20 30 FFEDLO C=CCc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc(OC)c1OC ZINC000016638951 507099818 /nfs/dbraw/zinc/09/98/18/507099818.db2.gz AMRABYMACAWFPD-UHFFFAOYSA-N 1 2 367.449 2.790 20 30 FFEDLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000017843556 507130031 /nfs/dbraw/zinc/13/00/31/507130031.db2.gz AMCJMHSKZMYWKH-UHFFFAOYSA-N 1 2 353.397 2.664 20 30 FFEDLO COc1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc(OC)c1O ZINC000377550392 512322008 /nfs/dbraw/zinc/32/20/08/512322008.db2.gz PBIQXECKCCRMLA-IBGZPJMESA-N 1 2 354.406 2.855 20 30 FFEDLO COc1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc(OC)c1O ZINC000377550392 512322011 /nfs/dbraw/zinc/32/20/11/512322011.db2.gz PBIQXECKCCRMLA-IBGZPJMESA-N 1 2 354.406 2.855 20 30 FFEDLO N#CCCN(Cc1ccco1)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000068423756 507226013 /nfs/dbraw/zinc/22/60/13/507226013.db2.gz JUIAKFOGMNHQHK-UHFFFAOYSA-N 1 2 353.422 2.668 20 30 FFEDLO C[C@H](C(=O)N(C)c1ccccc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781432 507309191 /nfs/dbraw/zinc/30/91/91/507309191.db2.gz FPXIUIRTNXBISZ-GOSISDBHSA-N 1 2 362.477 2.727 20 30 FFEDLO C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000022781432 507309198 /nfs/dbraw/zinc/30/91/98/507309198.db2.gz FPXIUIRTNXBISZ-GOSISDBHSA-N 1 2 362.477 2.727 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000024367340 507406168 /nfs/dbraw/zinc/40/61/68/507406168.db2.gz DRURZHZXFRSHNO-UHFFFAOYSA-N 1 2 373.453 2.594 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000024367340 507406178 /nfs/dbraw/zinc/40/61/78/507406178.db2.gz DRURZHZXFRSHNO-UHFFFAOYSA-N 1 2 373.453 2.594 20 30 FFEDLO N#Cc1ccccc1CSCCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000048015931 507435656 /nfs/dbraw/zinc/43/56/56/507435656.db2.gz YWDDDEOOIIWMAC-UHFFFAOYSA-N 1 2 365.462 2.939 20 30 FFEDLO N#Cc1ccc(CSCC(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000048112954 507457582 /nfs/dbraw/zinc/45/75/82/507457582.db2.gz MMQLAPDIEVXCSP-UHFFFAOYSA-N 1 2 350.447 2.798 20 30 FFEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1OC(F)(F)F ZINC000025246467 507479717 /nfs/dbraw/zinc/47/97/17/507479717.db2.gz WKYISHMMFDXBHF-MRXNPFEDSA-N 1 2 355.360 2.825 20 30 FFEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1OC(F)(F)F ZINC000025246467 507479726 /nfs/dbraw/zinc/47/97/26/507479726.db2.gz WKYISHMMFDXBHF-MRXNPFEDSA-N 1 2 355.360 2.825 20 30 FFEDLO C[N@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1cccc(C#N)c1 ZINC000026328660 507579416 /nfs/dbraw/zinc/57/94/16/507579416.db2.gz PLZHCCPHJMVECU-UHFFFAOYSA-N 1 2 362.433 2.521 20 30 FFEDLO C[N@@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1cccc(C#N)c1 ZINC000026328660 507579422 /nfs/dbraw/zinc/57/94/22/507579422.db2.gz PLZHCCPHJMVECU-UHFFFAOYSA-N 1 2 362.433 2.521 20 30 FFEDLO CCCCc1ccc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000070920650 507660479 /nfs/dbraw/zinc/66/04/79/507660479.db2.gz IMQASFOXMVWFHV-UHFFFAOYSA-N 1 2 357.498 2.646 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H](O)COCc3ccccc3F)CCO2)c1 ZINC000367138185 512355501 /nfs/dbraw/zinc/35/55/01/512355501.db2.gz GHZJSWXCYVSYRI-PZJWPPBQSA-N 1 2 370.424 2.648 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H](O)COCc3ccccc3F)CCO2)c1 ZINC000367138185 512355507 /nfs/dbraw/zinc/35/55/07/512355507.db2.gz GHZJSWXCYVSYRI-PZJWPPBQSA-N 1 2 370.424 2.648 20 30 FFEDLO C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000051180025 507746917 /nfs/dbraw/zinc/74/69/17/507746917.db2.gz XWAIZDAHMWOCQE-INIZCTEOSA-N 1 2 366.440 2.871 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CCC(=O)Nc3ccccc3F)CC2)cc1 ZINC000028879340 507748763 /nfs/dbraw/zinc/74/87/63/507748763.db2.gz RSWSNEBLHNKUMN-UHFFFAOYSA-N 1 2 366.440 2.844 20 30 FFEDLO CCOC(=O)C1CC[NH+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1 ZINC000028905632 507749780 /nfs/dbraw/zinc/74/97/80/507749780.db2.gz KLAFHDVNYCMFRZ-UHFFFAOYSA-N 1 2 371.481 2.825 20 30 FFEDLO COCC[N@H+](CC(=O)NCc1ccccc1C)Cc1ccc(C#N)cc1 ZINC000063754215 507768420 /nfs/dbraw/zinc/76/84/20/507768420.db2.gz WQRUREBAHASLDS-UHFFFAOYSA-N 1 2 351.450 2.632 20 30 FFEDLO COCC[N@@H+](CC(=O)NCc1ccccc1C)Cc1ccc(C#N)cc1 ZINC000063754215 507768421 /nfs/dbraw/zinc/76/84/21/507768421.db2.gz WQRUREBAHASLDS-UHFFFAOYSA-N 1 2 351.450 2.632 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1C#N ZINC000063801553 507772361 /nfs/dbraw/zinc/77/23/61/507772361.db2.gz CDMXQPUDKOJYNU-UHFFFAOYSA-N 1 2 362.499 2.575 20 30 FFEDLO Cc1ccccc1-c1noc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)n1 ZINC000029446344 507778350 /nfs/dbraw/zinc/77/83/50/507778350.db2.gz NCVBRUPRVZOQAM-UHFFFAOYSA-N 1 2 360.421 2.634 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)CC1 ZINC000064442819 507796497 /nfs/dbraw/zinc/79/64/97/507796497.db2.gz KTPUTZFDLOHQBP-UHFFFAOYSA-N 1 2 356.397 2.779 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)o1 ZINC000030973739 507815364 /nfs/dbraw/zinc/81/53/64/507815364.db2.gz ZNELICXPDOVQJG-ABAIWWIYSA-N 1 2 356.264 2.917 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030973739 507815365 /nfs/dbraw/zinc/81/53/65/507815365.db2.gz ZNELICXPDOVQJG-ABAIWWIYSA-N 1 2 356.264 2.917 20 30 FFEDLO COC(=O)[C@@H](c1ccccc1F)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000072556734 507823708 /nfs/dbraw/zinc/82/37/08/507823708.db2.gz MRGLXJOSIQECGV-HXUWFJFHSA-N 1 2 367.424 2.729 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000072650915 507837744 /nfs/dbraw/zinc/83/77/44/507837744.db2.gz TYOCKQKDGBZTBI-MRXNPFEDSA-N 1 2 365.433 2.796 20 30 FFEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)Nc2cc(F)ccc2F)cs1 ZINC000072920190 507873651 /nfs/dbraw/zinc/87/36/51/507873651.db2.gz FKFMXVTTYCVNSP-MRVPVSSYSA-N 1 2 354.382 2.588 20 30 FFEDLO C[C@@H](O)[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000089933388 507886987 /nfs/dbraw/zinc/88/69/87/507886987.db2.gz MTKCZGADPSXDLD-KGLIPLIRSA-N 1 2 361.511 2.920 20 30 FFEDLO C[C@@H](O)[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000089933388 507886989 /nfs/dbraw/zinc/88/69/89/507886989.db2.gz MTKCZGADPSXDLD-KGLIPLIRSA-N 1 2 361.511 2.920 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1csc(Nc2ccccc2)n1 ZINC000078681754 507897303 /nfs/dbraw/zinc/89/73/03/507897303.db2.gz SEOKQYGNDALVJF-UHFFFAOYSA-N 1 2 371.510 2.935 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(Cn3ccnn3)CC2)c1C#N ZINC000091075081 507949916 /nfs/dbraw/zinc/94/99/16/507949916.db2.gz KVVLNOXKNPJHNC-UHFFFAOYSA-N 1 2 361.453 2.556 20 30 FFEDLO C=CCOCCCC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000079688504 507991691 /nfs/dbraw/zinc/99/16/91/507991691.db2.gz BUBSYFSSGNKROK-UHFFFAOYSA-N 1 2 352.232 2.696 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000111291163 508087256 /nfs/dbraw/zinc/08/72/56/508087256.db2.gz FTEATSRVLBKXFB-MRXNPFEDSA-N 1 2 373.522 2.990 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000111291163 508087257 /nfs/dbraw/zinc/08/72/57/508087257.db2.gz FTEATSRVLBKXFB-MRXNPFEDSA-N 1 2 373.522 2.990 20 30 FFEDLO C=CC1CCN(C(=O)NC[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC000111455138 508100047 /nfs/dbraw/zinc/10/00/47/508100047.db2.gz GAVFEWRUKMYUQI-FQEVSTJZSA-N 1 2 357.498 2.976 20 30 FFEDLO CN(CC(=O)Nc1cc(F)cc(F)c1)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000093012545 508113958 /nfs/dbraw/zinc/11/39/58/508113958.db2.gz AUGLWFULMCGIIX-UHFFFAOYSA-N 1 2 355.348 2.555 20 30 FFEDLO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cnc2ccc(C#N)cn12 ZINC000093012545 508113960 /nfs/dbraw/zinc/11/39/60/508113960.db2.gz AUGLWFULMCGIIX-UHFFFAOYSA-N 1 2 355.348 2.555 20 30 FFEDLO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cnc2ccc(C#N)cn12 ZINC000093012545 508113961 /nfs/dbraw/zinc/11/39/61/508113961.db2.gz AUGLWFULMCGIIX-UHFFFAOYSA-N 1 2 355.348 2.555 20 30 FFEDLO COc1ccc(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1O ZINC000080964312 508118349 /nfs/dbraw/zinc/11/83/49/508118349.db2.gz JTHDMBHCMBCHBV-UHFFFAOYSA-N 1 2 350.378 2.954 20 30 FFEDLO COc1ccc(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1O ZINC000080964312 508118352 /nfs/dbraw/zinc/11/83/52/508118352.db2.gz JTHDMBHCMBCHBV-UHFFFAOYSA-N 1 2 350.378 2.954 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C1(C(N)=O)CCCC1 ZINC000093214242 508128412 /nfs/dbraw/zinc/12/84/12/508128412.db2.gz VWRXKODCYGKPHC-CQSZACIVSA-N 1 2 374.510 2.607 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000093214242 508128414 /nfs/dbraw/zinc/12/84/14/508128414.db2.gz VWRXKODCYGKPHC-CQSZACIVSA-N 1 2 374.510 2.607 20 30 FFEDLO CC(C)[C@@H](NC(=O)C[N@H+](CCC#N)CC1CC1)c1ccc2c(c1)OCCO2 ZINC000081043855 508129241 /nfs/dbraw/zinc/12/92/41/508129241.db2.gz CPNASKFNBSSKQF-OAQYLSRUSA-N 1 2 371.481 2.897 20 30 FFEDLO CC(C)[C@@H](NC(=O)C[N@@H+](CCC#N)CC1CC1)c1ccc2c(c1)OCCO2 ZINC000081043855 508129242 /nfs/dbraw/zinc/12/92/42/508129242.db2.gz CPNASKFNBSSKQF-OAQYLSRUSA-N 1 2 371.481 2.897 20 30 FFEDLO N#CCC[N@@H+](CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccn1 ZINC000081158786 508142863 /nfs/dbraw/zinc/14/28/63/508142863.db2.gz CNLPCYDWPKSPPB-UHFFFAOYSA-N 1 2 352.394 2.555 20 30 FFEDLO N#CCC[N@H+](CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccn1 ZINC000081158786 508142866 /nfs/dbraw/zinc/14/28/66/508142866.db2.gz CNLPCYDWPKSPPB-UHFFFAOYSA-N 1 2 352.394 2.555 20 30 FFEDLO Cn1cccc1[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081517297 508184379 /nfs/dbraw/zinc/18/43/79/508184379.db2.gz DKHFZKAOLNNVJS-LJQANCHMSA-N 1 2 357.479 2.898 20 30 FFEDLO Cn1cccc1[C@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081517297 508184380 /nfs/dbraw/zinc/18/43/80/508184380.db2.gz DKHFZKAOLNNVJS-LJQANCHMSA-N 1 2 357.479 2.898 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c(C#N)c1C ZINC000112700926 508211916 /nfs/dbraw/zinc/21/19/16/508211916.db2.gz RSWNMWVBGQFDBL-HNNXBMFYSA-N 1 2 374.485 2.581 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c(C#N)c1C ZINC000112700926 508211919 /nfs/dbraw/zinc/21/19/19/508211919.db2.gz RSWNMWVBGQFDBL-HNNXBMFYSA-N 1 2 374.485 2.581 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554771 508245803 /nfs/dbraw/zinc/24/58/03/508245803.db2.gz QDPHZODDOREWIW-CQSZACIVSA-N 1 2 369.856 2.756 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(c3nc[nH]n3)CC2)c1C ZINC000083442314 508246383 /nfs/dbraw/zinc/24/63/83/508246383.db2.gz GJDWJXLHLLZLHF-UHFFFAOYSA-N 1 2 366.469 2.548 20 30 FFEDLO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cc(C#N)cs1 ZINC000084113377 508266011 /nfs/dbraw/zinc/26/60/11/508266011.db2.gz VHVKYZADJUDZHZ-OAHLLOKOSA-N 1 2 354.479 2.560 20 30 FFEDLO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cc(C#N)cs1 ZINC000084113376 508266261 /nfs/dbraw/zinc/26/62/61/508266261.db2.gz VHVKYZADJUDZHZ-HNNXBMFYSA-N 1 2 354.479 2.560 20 30 FFEDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3C)CC2)c1 ZINC000077373322 508306914 /nfs/dbraw/zinc/30/69/14/508306914.db2.gz QBWSUUKNDFDOJU-UHFFFAOYSA-N 1 2 369.490 2.682 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606910 508378631 /nfs/dbraw/zinc/37/86/31/508378631.db2.gz CITZQVLYRIKJHI-CQSZACIVSA-N 1 2 356.426 2.684 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606910 508378634 /nfs/dbraw/zinc/37/86/34/508378634.db2.gz CITZQVLYRIKJHI-CQSZACIVSA-N 1 2 356.426 2.684 20 30 FFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cc(Br)ccc2F)C(N)=O)cc1 ZINC000115596764 508416860 /nfs/dbraw/zinc/41/68/60/508416860.db2.gz ZLLVHGYVBMJJKF-OAHLLOKOSA-N 1 2 362.202 2.776 20 30 FFEDLO N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000152489686 508457304 /nfs/dbraw/zinc/45/73/04/508457304.db2.gz RFZFPOOYALHDRU-DMKPSLHHSA-N 1 2 364.449 2.824 20 30 FFEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000157149140 508529898 /nfs/dbraw/zinc/52/98/98/508529898.db2.gz DPWBFRCMHMNQHK-GOSISDBHSA-N 1 2 351.406 2.791 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000128076352 508543766 /nfs/dbraw/zinc/54/37/66/508543766.db2.gz ORODRRZXSUNGFQ-WBVHZDCISA-N 1 2 372.431 2.723 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000128076352 508543770 /nfs/dbraw/zinc/54/37/70/508543770.db2.gz ORODRRZXSUNGFQ-WBVHZDCISA-N 1 2 372.431 2.723 20 30 FFEDLO CN(C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1(C#N)CCCCC1 ZINC000153401846 508579212 /nfs/dbraw/zinc/57/92/12/508579212.db2.gz XBXKFXCJEFPUHV-UHFFFAOYSA-N 1 2 356.426 2.638 20 30 FFEDLO CN(C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1(C#N)CCCCC1 ZINC000153401846 508579217 /nfs/dbraw/zinc/57/92/17/508579217.db2.gz XBXKFXCJEFPUHV-UHFFFAOYSA-N 1 2 356.426 2.638 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)Cc2[nH+]ccn2C)c1C#N ZINC000153414761 508580503 /nfs/dbraw/zinc/58/05/03/508580503.db2.gz TYKXJHCCPNRLJN-UHFFFAOYSA-N 1 2 368.485 2.896 20 30 FFEDLO COc1ccc(OC(F)F)c(C[NH+]2CCN(c3ncccc3C#N)CC2)c1 ZINC000122933923 508610348 /nfs/dbraw/zinc/61/03/48/508610348.db2.gz VMNFJFIRRNADEI-UHFFFAOYSA-N 1 2 374.391 2.885 20 30 FFEDLO N#Cc1cc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)ccc1OC(F)(F)F ZINC000375589983 512409614 /nfs/dbraw/zinc/40/96/14/512409614.db2.gz FGTRUFMUBCTBSO-SNVBAGLBSA-N 1 2 350.300 2.854 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000118835687 508681891 /nfs/dbraw/zinc/68/18/91/508681891.db2.gz GTIULKQULDVZDH-QGZVFWFLSA-N 1 2 363.465 2.661 20 30 FFEDLO COC(=O)c1oc([C@@H](C)[NH+]2CCN(c3ncccc3C#N)CC2)cc1C ZINC000136353130 508689237 /nfs/dbraw/zinc/68/92/37/508689237.db2.gz SHFOLZVEYDUVMQ-CQSZACIVSA-N 1 2 354.410 2.525 20 30 FFEDLO CC(C)(C)OC(=O)c1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000154252783 508746504 /nfs/dbraw/zinc/74/65/04/508746504.db2.gz PZFKRCHNMOTARA-UHFFFAOYSA-N 1 2 373.497 2.690 20 30 FFEDLO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000139229548 508785990 /nfs/dbraw/zinc/78/59/90/508785990.db2.gz HARCSGYUTGMQBO-UHFFFAOYSA-N 1 2 370.416 2.686 20 30 FFEDLO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000139229548 508785995 /nfs/dbraw/zinc/78/59/95/508785995.db2.gz HARCSGYUTGMQBO-UHFFFAOYSA-N 1 2 370.416 2.686 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000119497156 508807386 /nfs/dbraw/zinc/80/73/86/508807386.db2.gz FLYSISILJQYJMI-RDJZCZTQSA-N 1 2 352.438 2.540 20 30 FFEDLO C=CCn1c(SCCn2cc[nH+]c2)nnc1[C@H]1COc2ccccc2O1 ZINC000159554244 508858072 /nfs/dbraw/zinc/85/80/72/508858072.db2.gz UFKRSYPJRMQBOF-MRXNPFEDSA-N 1 2 369.450 2.965 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159647306 508871385 /nfs/dbraw/zinc/87/13/85/508871385.db2.gz RPKPIIMTRMRMMU-MAODMQOUSA-N 1 2 355.482 2.603 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159647306 508871387 /nfs/dbraw/zinc/87/13/87/508871387.db2.gz RPKPIIMTRMRMMU-MAODMQOUSA-N 1 2 355.482 2.603 20 30 FFEDLO COCc1ccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2cccc(C#N)c2)o1 ZINC000131061514 508881874 /nfs/dbraw/zinc/88/18/74/508881874.db2.gz ATASDZWCVKTCLH-SFHVURJKSA-N 1 2 374.462 2.908 20 30 FFEDLO COCc1ccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2cccc(C#N)c2)o1 ZINC000131061514 508881878 /nfs/dbraw/zinc/88/18/78/508881878.db2.gz ATASDZWCVKTCLH-SFHVURJKSA-N 1 2 374.462 2.908 20 30 FFEDLO C=CC[N@@H+](CC(=O)NCc1cccc(OC)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000119995651 508906779 /nfs/dbraw/zinc/90/67/79/508906779.db2.gz MTAAQKKSFLNWRI-UHFFFAOYSA-N 1 2 369.421 2.908 20 30 FFEDLO C=CC[N@H+](CC(=O)NCc1cccc(OC)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000119995651 508906782 /nfs/dbraw/zinc/90/67/82/508906782.db2.gz MTAAQKKSFLNWRI-UHFFFAOYSA-N 1 2 369.421 2.908 20 30 FFEDLO COc1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc2c1OCO2 ZINC000155269610 508962092 /nfs/dbraw/zinc/96/20/92/508962092.db2.gz LPWGCFUNHONPDI-SFHVURJKSA-N 1 2 365.433 2.806 20 30 FFEDLO C[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000151280376 508991975 /nfs/dbraw/zinc/99/19/75/508991975.db2.gz UMCVHVIYKXZGMN-WFASDCNBSA-N 1 2 364.858 2.680 20 30 FFEDLO CC(C)Oc1ccccc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155511519 509017252 /nfs/dbraw/zinc/01/72/52/509017252.db2.gz PETTZWUVBODFAE-INIZCTEOSA-N 1 2 351.454 2.846 20 30 FFEDLO CC(C)Oc1ccccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155511519 509017256 /nfs/dbraw/zinc/01/72/56/509017256.db2.gz PETTZWUVBODFAE-INIZCTEOSA-N 1 2 351.454 2.846 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CCCC1(C)C ZINC000411000667 512434253 /nfs/dbraw/zinc/43/42/53/512434253.db2.gz DCTLUXBNGSQXDD-KURKYZTESA-N 1 2 372.513 2.886 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cccc(Br)c1 ZINC000151903955 509107635 /nfs/dbraw/zinc/10/76/35/509107635.db2.gz VAQYLUJWHXXUIX-IUODEOHRSA-N 1 2 359.227 2.589 20 30 FFEDLO Cc1ccc([C@@H](CNC(=O)c2ccc(C#N)cc2C)[NH+]2CCOCC2)cc1 ZINC000162250057 509182882 /nfs/dbraw/zinc/18/28/82/509182882.db2.gz SJUXSKRUKMSOKG-OAQYLSRUSA-N 1 2 363.461 2.978 20 30 FFEDLO Cc1ccc([C@H](CNc2nc3ccccn3c2C#N)[NH+]2CCOCC2)o1 ZINC000263962152 509250628 /nfs/dbraw/zinc/25/06/28/509250628.db2.gz IPZODLALFCLCSM-INIZCTEOSA-N 1 2 351.410 2.593 20 30 FFEDLO C[N@@H+](CC#Cc1ccccc1)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000191963097 509266055 /nfs/dbraw/zinc/26/60/55/509266055.db2.gz WDEGTONQFWFTDT-UHFFFAOYSA-N 1 2 357.475 2.843 20 30 FFEDLO C[N@H+](CC#Cc1ccccc1)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000191963097 509266062 /nfs/dbraw/zinc/26/60/62/509266062.db2.gz WDEGTONQFWFTDT-UHFFFAOYSA-N 1 2 357.475 2.843 20 30 FFEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000182498934 509271293 /nfs/dbraw/zinc/27/12/93/509271293.db2.gz XCJKPHGQMDVLGM-HNNXBMFYSA-N 1 2 353.463 2.528 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cc1F ZINC000192171876 509387534 /nfs/dbraw/zinc/38/75/34/509387534.db2.gz ZKEFJLYEUOPOSX-QGZVFWFLSA-N 1 2 365.474 2.524 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cc1F ZINC000192171876 509387536 /nfs/dbraw/zinc/38/75/36/509387536.db2.gz ZKEFJLYEUOPOSX-QGZVFWFLSA-N 1 2 365.474 2.524 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189071329 509398459 /nfs/dbraw/zinc/39/84/59/509398459.db2.gz RDLDRQREUHLIRB-AEFFLSMTSA-N 1 2 357.360 2.717 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189071329 509398464 /nfs/dbraw/zinc/39/84/64/509398464.db2.gz RDLDRQREUHLIRB-AEFFLSMTSA-N 1 2 357.360 2.717 20 30 FFEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000192225485 509414220 /nfs/dbraw/zinc/41/42/20/509414220.db2.gz OVEYLGUIMNZJQO-GFCCVEGCSA-N 1 2 358.360 2.623 20 30 FFEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000192225485 509414225 /nfs/dbraw/zinc/41/42/25/509414225.db2.gz OVEYLGUIMNZJQO-GFCCVEGCSA-N 1 2 358.360 2.623 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)[C@@H](C(CC)CC)[NH+]2CCOCC2)cc1 ZINC000173162240 509429218 /nfs/dbraw/zinc/42/92/18/509429218.db2.gz YYAMJIAYSOQCEI-LJQANCHMSA-N 1 2 373.497 2.678 20 30 FFEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)CC1(c2ccccc2)CC1 ZINC000189322295 509520250 /nfs/dbraw/zinc/52/02/50/509520250.db2.gz LYEPXNZRNVAMMI-UHFFFAOYSA-N 1 2 354.475 2.996 20 30 FFEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)CC1(c2ccccc2)CC1 ZINC000189322295 509520255 /nfs/dbraw/zinc/52/02/55/509520255.db2.gz LYEPXNZRNVAMMI-UHFFFAOYSA-N 1 2 354.475 2.996 20 30 FFEDLO Cc1ccc(C)c(N2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000164755592 509531912 /nfs/dbraw/zinc/53/19/12/509531912.db2.gz WSVAQDXLSZQVEZ-WIYYLYMNSA-N 1 2 356.514 2.868 20 30 FFEDLO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186286968 509622866 /nfs/dbraw/zinc/62/28/66/509622866.db2.gz IESBMQYDLHDEER-IRXDYDNUSA-N 1 2 354.498 2.684 20 30 FFEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186286968 509622874 /nfs/dbraw/zinc/62/28/74/509622874.db2.gz IESBMQYDLHDEER-IRXDYDNUSA-N 1 2 354.498 2.684 20 30 FFEDLO CC(C)c1nnc2n1CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]2C ZINC000189549691 509632505 /nfs/dbraw/zinc/63/25/05/509632505.db2.gz NJGIGZZKINQNBX-CQSZACIVSA-N 1 2 352.442 2.679 20 30 FFEDLO CC(C)c1nnc2n1CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]2C ZINC000189549691 509632511 /nfs/dbraw/zinc/63/25/11/509632511.db2.gz NJGIGZZKINQNBX-CQSZACIVSA-N 1 2 352.442 2.679 20 30 FFEDLO CC(C)c1nnc2n1CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]2C ZINC000189549716 509633067 /nfs/dbraw/zinc/63/30/67/509633067.db2.gz NJGIGZZKINQNBX-AWEZNQCLSA-N 1 2 352.442 2.679 20 30 FFEDLO CC(C)c1nnc2n1CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]2C ZINC000189549716 509633077 /nfs/dbraw/zinc/63/30/77/509633077.db2.gz NJGIGZZKINQNBX-AWEZNQCLSA-N 1 2 352.442 2.679 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000192826680 509660189 /nfs/dbraw/zinc/66/01/89/509660189.db2.gz NUUHLVAPUAIXGZ-OAQYLSRUSA-N 1 2 373.460 2.754 20 30 FFEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000180062368 509731312 /nfs/dbraw/zinc/73/13/12/509731312.db2.gz GWXOGORDPZDIJF-INIZCTEOSA-N 1 2 365.437 2.722 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186491125 509736302 /nfs/dbraw/zinc/73/63/02/509736302.db2.gz GVXYXOCQXMULGK-OAHLLOKOSA-N 1 2 364.436 2.837 20 30 FFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170837842 509804318 /nfs/dbraw/zinc/80/43/18/509804318.db2.gz DDANLKLGUQHLSF-UHFFFAOYSA-N 1 2 358.486 2.591 20 30 FFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170837842 509804323 /nfs/dbraw/zinc/80/43/23/509804323.db2.gz DDANLKLGUQHLSF-UHFFFAOYSA-N 1 2 358.486 2.591 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cn1 ZINC000170839429 509805196 /nfs/dbraw/zinc/80/51/96/509805196.db2.gz UFXMSODVWKZTBO-UHFFFAOYSA-N 1 2 359.798 2.593 20 30 FFEDLO C=C(C)[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000186965453 509976928 /nfs/dbraw/zinc/97/69/28/509976928.db2.gz OAHGZRCTDHUDNV-KRWDZBQOSA-N 1 2 367.440 2.992 20 30 FFEDLO CC(F)(F)c1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000187004200 509999824 /nfs/dbraw/zinc/99/98/24/509999824.db2.gz XXBMZHYXLIAXOY-UHFFFAOYSA-N 1 2 366.412 2.878 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245616827 510041053 /nfs/dbraw/zinc/04/10/53/510041053.db2.gz NIAKNRFJGYWKHK-MJGOQNOKSA-N 1 2 355.482 2.661 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245616827 510041058 /nfs/dbraw/zinc/04/10/58/510041058.db2.gz NIAKNRFJGYWKHK-MJGOQNOKSA-N 1 2 355.482 2.661 20 30 FFEDLO Cn1cc(N2CC[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)CC2=O)cn1 ZINC000177437864 510057369 /nfs/dbraw/zinc/05/73/69/510057369.db2.gz WHGJVFKOZMFVME-UHFFFAOYSA-N 1 2 371.444 2.808 20 30 FFEDLO Cn1cc(N2CC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)CC2=O)cn1 ZINC000177437864 510057373 /nfs/dbraw/zinc/05/73/73/510057373.db2.gz WHGJVFKOZMFVME-UHFFFAOYSA-N 1 2 371.444 2.808 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193773754 510061352 /nfs/dbraw/zinc/06/13/52/510061352.db2.gz RRKLWVMWLITIPL-AWEZNQCLSA-N 1 2 369.856 2.756 20 30 FFEDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000265473565 510073101 /nfs/dbraw/zinc/07/31/01/510073101.db2.gz DOESVEGBGMURSZ-IBGZPJMESA-N 1 2 351.406 2.733 20 30 FFEDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000265473565 510073107 /nfs/dbraw/zinc/07/31/07/510073107.db2.gz DOESVEGBGMURSZ-IBGZPJMESA-N 1 2 351.406 2.733 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc(Cl)c1OC ZINC000193853875 510101505 /nfs/dbraw/zinc/10/15/05/510101505.db2.gz ZDJAKJJNRLQOCC-UHFFFAOYSA-N 1 2 372.856 2.946 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(Br)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000177716347 510214363 /nfs/dbraw/zinc/21/43/63/510214363.db2.gz AHDOIQLGXTWQRO-LBPRGKRZSA-N 1 2 362.264 2.763 20 30 FFEDLO C=CC[N@H+](Cc1ccc(Br)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000177716347 510214371 /nfs/dbraw/zinc/21/43/71/510214371.db2.gz AHDOIQLGXTWQRO-LBPRGKRZSA-N 1 2 362.264 2.763 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000245972578 510233197 /nfs/dbraw/zinc/23/31/97/510233197.db2.gz FWFKUJMFSYCYNM-AEFFLSMTSA-N 1 2 365.437 2.578 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000245972578 510233207 /nfs/dbraw/zinc/23/32/07/510233207.db2.gz FWFKUJMFSYCYNM-AEFFLSMTSA-N 1 2 365.437 2.578 20 30 FFEDLO N#CCC[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC1CC1 ZINC000174691253 510253060 /nfs/dbraw/zinc/25/30/60/510253060.db2.gz AFXRRIPPAACTIK-UHFFFAOYSA-N 1 2 363.383 2.799 20 30 FFEDLO N#CCC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC1CC1 ZINC000174691253 510253067 /nfs/dbraw/zinc/25/30/67/510253067.db2.gz AFXRRIPPAACTIK-UHFFFAOYSA-N 1 2 363.383 2.799 20 30 FFEDLO CC[C@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000178154856 510461228 /nfs/dbraw/zinc/46/12/28/510461228.db2.gz UUPWQKZIPZPTGQ-LSDHHAIUSA-N 1 2 370.453 2.601 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc(F)c(F)c1 ZINC000184699937 510471987 /nfs/dbraw/zinc/47/19/87/510471987.db2.gz AINQVEZFADZWAX-QGZVFWFLSA-N 1 2 367.440 2.992 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc(F)c(F)c1 ZINC000184699937 510471989 /nfs/dbraw/zinc/47/19/89/510471989.db2.gz AINQVEZFADZWAX-QGZVFWFLSA-N 1 2 367.440 2.992 20 30 FFEDLO COc1cccc([C@H]2C[N@H+](CCC(=O)Nc3cccc(C#N)c3)CCO2)c1 ZINC000178178763 510473885 /nfs/dbraw/zinc/47/38/85/510473885.db2.gz GLQINJCTGOXVHR-HXUWFJFHSA-N 1 2 365.433 2.969 20 30 FFEDLO COc1cccc([C@H]2C[N@@H+](CCC(=O)Nc3cccc(C#N)c3)CCO2)c1 ZINC000178178763 510473891 /nfs/dbraw/zinc/47/38/91/510473891.db2.gz GLQINJCTGOXVHR-HXUWFJFHSA-N 1 2 365.433 2.969 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2sc(C)c(Br)c2OC)CC1 ZINC000266294976 510502775 /nfs/dbraw/zinc/50/27/75/510502775.db2.gz PEIKVPSKOQMPPX-UHFFFAOYSA-N 1 2 371.300 2.609 20 30 FFEDLO COc1cc(NC(=O)C[N@H+](C)Cc2ccc(OC)c(C#N)c2)cc(OC)c1 ZINC000269726844 510528604 /nfs/dbraw/zinc/52/86/04/510528604.db2.gz WHCRSRNBGPQDFV-UHFFFAOYSA-N 1 2 369.421 2.655 20 30 FFEDLO COc1cc(NC(=O)C[N@@H+](C)Cc2ccc(OC)c(C#N)c2)cc(OC)c1 ZINC000269726844 510528608 /nfs/dbraw/zinc/52/86/08/510528608.db2.gz WHCRSRNBGPQDFV-UHFFFAOYSA-N 1 2 369.421 2.655 20 30 FFEDLO N#Cc1cccc(Cl)c1NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000266398830 510562949 /nfs/dbraw/zinc/56/29/49/510562949.db2.gz PCDADQREWUUIOZ-UHFFFAOYSA-N 1 2 369.856 2.920 20 30 FFEDLO N#CCCn1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000266403752 510566090 /nfs/dbraw/zinc/56/60/90/510566090.db2.gz MJUOAHVTYDPATP-UHFFFAOYSA-N 1 2 353.430 2.504 20 30 FFEDLO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ncc(-c2ccccc2)o1 ZINC000184894872 510569712 /nfs/dbraw/zinc/56/97/12/510569712.db2.gz ILXLDXMHMYIYHK-OAHLLOKOSA-N 1 2 351.410 2.648 20 30 FFEDLO N#Cc1ccccc1CSCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000195046630 510645439 /nfs/dbraw/zinc/64/54/39/510645439.db2.gz WVFNIFRDCYSIOH-LJQANCHMSA-N 1 2 373.522 2.551 20 30 FFEDLO N#Cc1ccccc1CSCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000195046630 510645440 /nfs/dbraw/zinc/64/54/40/510645440.db2.gz WVFNIFRDCYSIOH-LJQANCHMSA-N 1 2 373.522 2.551 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185102748 510688042 /nfs/dbraw/zinc/68/80/42/510688042.db2.gz UWLSVPVRFYPNMG-OLZOCXBDSA-N 1 2 359.405 2.534 20 30 FFEDLO C[C@@H](c1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1)[NH+]1CCOCC1 ZINC000188285512 510689373 /nfs/dbraw/zinc/68/93/73/510689373.db2.gz VTCONAQHGFABOL-AWEZNQCLSA-N 1 2 351.406 2.909 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@](C)(C(N)=O)c1ccccc1 ZINC000195227460 510725969 /nfs/dbraw/zinc/72/59/69/510725969.db2.gz PTNIGODHPZYFFY-FQEVSTJZSA-N 1 2 369.490 2.894 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+](C)C[C@@H]2OCCc3ccccc32)c(C#N)c1C ZINC000263676115 510783251 /nfs/dbraw/zinc/78/32/51/510783251.db2.gz HFMQBJOQWQQSGP-SFHVURJKSA-N 1 2 353.422 2.952 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c(C#N)c1C ZINC000263676115 510783256 /nfs/dbraw/zinc/78/32/56/510783256.db2.gz HFMQBJOQWQQSGP-SFHVURJKSA-N 1 2 353.422 2.952 20 30 FFEDLO CCCN(CC#N)C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000182160407 510788703 /nfs/dbraw/zinc/78/87/03/510788703.db2.gz JKSHEHSTPLNUJO-UHFFFAOYSA-N 1 2 352.438 2.919 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000247211866 510852136 /nfs/dbraw/zinc/85/21/36/510852136.db2.gz XWMONUVWVKJHEQ-TZMCWYRMSA-N 1 2 361.442 2.759 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000247211866 510852137 /nfs/dbraw/zinc/85/21/37/510852137.db2.gz XWMONUVWVKJHEQ-TZMCWYRMSA-N 1 2 361.442 2.759 20 30 FFEDLO [O-]C(NC[C@H]1SCCc2ccccc21)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329919586 510876849 /nfs/dbraw/zinc/87/68/49/510876849.db2.gz RTFZOPHLXFWESO-WMLDXEAASA-N 1 2 356.495 2.980 20 30 FFEDLO Cc1cccc2c1OCC[C@H]2NC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000329947808 510884265 /nfs/dbraw/zinc/88/42/65/510884265.db2.gz HFLCTTFCXHVNPR-IEBWSBKVSA-N 1 2 373.497 2.775 20 30 FFEDLO Cc1cccc2c1OCC[C@H]2NC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000329947808 510884270 /nfs/dbraw/zinc/88/42/70/510884270.db2.gz HFLCTTFCXHVNPR-IEBWSBKVSA-N 1 2 373.497 2.775 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)[C@H]1C ZINC000329960229 510887012 /nfs/dbraw/zinc/88/70/12/510887012.db2.gz RLDOLUJCQCZSDM-SRIISGBFSA-N 1 2 365.497 2.661 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)[C@H]1C ZINC000329960229 510887019 /nfs/dbraw/zinc/88/70/19/510887019.db2.gz RLDOLUJCQCZSDM-SRIISGBFSA-N 1 2 365.497 2.661 20 30 FFEDLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000293899195 510890377 /nfs/dbraw/zinc/89/03/77/510890377.db2.gz KUYTXBCEAYOORD-SFHVURJKSA-N 1 2 364.417 2.711 20 30 FFEDLO CCN1CCN(C(=O)N[C@@H]2CCc3c2cccc3F)C[C@H]1c1[nH]cc[nH+]1 ZINC000329985963 510893543 /nfs/dbraw/zinc/89/35/43/510893543.db2.gz DTTZAQUWFFGIFZ-SJORKVTESA-N 1 2 357.433 2.829 20 30 FFEDLO O=C(NC1CCC(C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1)C1CC1 ZINC000329984979 510893991 /nfs/dbraw/zinc/89/39/91/510893991.db2.gz CTDQAVFIAHSECT-UHFFFAOYSA-N 1 2 356.470 2.656 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)NCC2C3CC4CC(C3)CC2C4)CCN1C ZINC000329996014 510895749 /nfs/dbraw/zinc/89/57/49/510895749.db2.gz ODTIIEGGXQCPSF-MAUVRUAVSA-N 1 2 371.529 2.695 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330103209 510916226 /nfs/dbraw/zinc/91/62/26/510916226.db2.gz GRHPNERSAFKZTP-BIENJYKASA-N 1 2 362.426 2.662 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330103209 510916231 /nfs/dbraw/zinc/91/62/31/510916231.db2.gz GRHPNERSAFKZTP-BIENJYKASA-N 1 2 362.426 2.662 20 30 FFEDLO Cn1nc(CCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c2ccccc21 ZINC000330134101 510923270 /nfs/dbraw/zinc/92/32/70/510923270.db2.gz RPJKJUFPRWQXNV-UHFFFAOYSA-N 1 2 352.442 2.633 20 30 FFEDLO Cn1nc(CCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c2ccccc21 ZINC000330134101 510923274 /nfs/dbraw/zinc/92/32/74/510923274.db2.gz RPJKJUFPRWQXNV-UHFFFAOYSA-N 1 2 352.442 2.633 20 30 FFEDLO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000276155333 510928701 /nfs/dbraw/zinc/92/87/01/510928701.db2.gz QOEPNQCHRWKBPI-UHFFFAOYSA-N 1 2 355.442 2.760 20 30 FFEDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCOC[C@@H](C2CCC2)C1 ZINC000330173326 510930108 /nfs/dbraw/zinc/93/01/08/510930108.db2.gz HFJYDAPEBCREES-KRWDZBQOSA-N 1 2 358.486 2.713 20 30 FFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1 ZINC000330178296 510931239 /nfs/dbraw/zinc/93/12/39/510931239.db2.gz DPCNMZJKPLEKCD-ZBFHGGJFSA-N 1 2 359.499 2.552 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)C1=O ZINC000285505775 510933930 /nfs/dbraw/zinc/93/39/30/510933930.db2.gz JMELZRJDVLGNFI-IUODEOHRSA-N 1 2 373.400 2.504 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@](O)(C(F)(F)F)CC2)C1=O ZINC000285505775 510933933 /nfs/dbraw/zinc/93/39/33/510933933.db2.gz JMELZRJDVLGNFI-IUODEOHRSA-N 1 2 373.400 2.504 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Cc2ccc3c(c2)OCCO3)CCO1 ZINC000330324158 510963324 /nfs/dbraw/zinc/96/33/24/510963324.db2.gz IFHHILYQQGYLNZ-YOEHRIQHSA-N 1 2 357.410 2.611 20 30 FFEDLO C[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@@](=O)C1 ZINC000277531294 510964762 /nfs/dbraw/zinc/96/47/62/510964762.db2.gz PVTMWIZHLJXKCG-IVCQMTBJSA-N 1 2 356.495 2.664 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@@](=O)C1 ZINC000277531294 510964765 /nfs/dbraw/zinc/96/47/65/510964765.db2.gz PVTMWIZHLJXKCG-IVCQMTBJSA-N 1 2 356.495 2.664 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCN1C ZINC000330332148 510967024 /nfs/dbraw/zinc/96/70/24/510967024.db2.gz OQPSRRWIVHZFMH-BSDSXHPESA-N 1 2 359.518 2.982 20 30 FFEDLO CCCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)C1 ZINC000330335718 510968863 /nfs/dbraw/zinc/96/88/63/510968863.db2.gz RTFDZQJPPAPXPR-UXLLHSPISA-N 1 2 362.474 2.635 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000277998938 510977146 /nfs/dbraw/zinc/97/71/46/510977146.db2.gz XMLYGWWPHCWAOA-UHFFFAOYSA-N 1 2 359.429 2.875 20 30 FFEDLO C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278811849 511007381 /nfs/dbraw/zinc/00/73/81/511007381.db2.gz ZRHISFPCDWJLJR-AWEZNQCLSA-N 1 2 365.437 2.585 20 30 FFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000286935615 511036136 /nfs/dbraw/zinc/03/61/36/511036136.db2.gz IEQUWORVOYCEBE-CRAIPNDOSA-N 1 2 356.470 2.815 20 30 FFEDLO Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331299046 511059182 /nfs/dbraw/zinc/05/91/82/511059182.db2.gz OJEVYVVWZKCOPT-UHFFFAOYSA-N 1 2 351.428 2.795 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000331327946 511061586 /nfs/dbraw/zinc/06/15/86/511061586.db2.gz GEHVHTKMKBUZMO-AUUYWEPGSA-N 1 2 362.449 2.507 20 30 FFEDLO COc1cc(C#N)ccc1C[NH+]1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000271044877 511067190 /nfs/dbraw/zinc/06/71/90/511067190.db2.gz NUKBPPGQLBAYOI-UHFFFAOYSA-N 1 2 369.469 2.565 20 30 FFEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)C(C)(C)C ZINC000288329076 511071358 /nfs/dbraw/zinc/07/13/58/511071358.db2.gz HLGRDGVSSXKSRM-INIZCTEOSA-N 1 2 352.438 2.553 20 30 FFEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000332554713 511085029 /nfs/dbraw/zinc/08/50/29/511085029.db2.gz RYBQLWVTKXPKLA-WSTZPKSXSA-N 1 2 354.498 2.658 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N(CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000294615353 511120907 /nfs/dbraw/zinc/12/09/07/511120907.db2.gz OSZDHHBBWTWWRD-SFHVURJKSA-N 1 2 369.465 2.739 20 30 FFEDLO C=CCCCN(C)C(=O)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000297985334 511131609 /nfs/dbraw/zinc/13/16/09/511131609.db2.gz QWESABVFMHUSTK-UHFFFAOYSA-N 1 2 372.513 2.571 20 30 FFEDLO COc1ccc(CC(N)=[NH+]O[C@@H](C)C(=O)N2CCc3sccc3C2)cc1 ZINC000282875435 511144748 /nfs/dbraw/zinc/14/47/48/511144748.db2.gz ANAZUEYJTBGLGP-ZDUSSCGKSA-N 1 2 373.478 2.561 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N2CCCc3ccccc32)n1 ZINC000279650179 511161542 /nfs/dbraw/zinc/16/15/42/511161542.db2.gz BIWAGXBULANTFB-QGZVFWFLSA-N 1 2 350.466 2.706 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N2CCCc3ccccc32)n1 ZINC000279650179 511161548 /nfs/dbraw/zinc/16/15/48/511161548.db2.gz BIWAGXBULANTFB-QGZVFWFLSA-N 1 2 350.466 2.706 20 30 FFEDLO CCCc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n(C)n1 ZINC000271415426 511197313 /nfs/dbraw/zinc/19/73/13/511197313.db2.gz SSPOXZNEKIKJGY-UHFFFAOYSA-N 1 2 366.469 2.594 20 30 FFEDLO CCOc1cc(N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000279793252 511218154 /nfs/dbraw/zinc/21/81/54/511218154.db2.gz MNWOJSCTJHPKGZ-UHFFFAOYSA-N 1 2 369.425 2.526 20 30 FFEDLO N#C[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCO1 ZINC000291590728 511259307 /nfs/dbraw/zinc/25/93/07/511259307.db2.gz YTGLOKYZYHPTQW-QGZVFWFLSA-N 1 2 351.410 2.643 20 30 FFEDLO N#CCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000283232696 511288131 /nfs/dbraw/zinc/28/81/31/511288131.db2.gz ISTMPFKPZWBOGS-UHFFFAOYSA-N 1 2 353.382 2.734 20 30 FFEDLO N#CCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000283232696 511288135 /nfs/dbraw/zinc/28/81/35/511288135.db2.gz ISTMPFKPZWBOGS-UHFFFAOYSA-N 1 2 353.382 2.734 20 30 FFEDLO Cc1ncc(CO)c(/C=N/c2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1O ZINC000298679937 511372033 /nfs/dbraw/zinc/37/20/33/511372033.db2.gz WHUFTRRDBKEKEX-FLWONARKSA-N 1 2 369.465 2.948 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc([C@@H](C#N)Cc3ccc(C#N)cc3)n2)C1 ZINC000280287540 511408720 /nfs/dbraw/zinc/40/87/20/511408720.db2.gz MIXOXTWQZJCZTF-IAGOWNOFSA-N 1 2 351.410 2.573 20 30 FFEDLO CC(C)[N@H+]1CCO[C@@H](c2noc([C@@H](C#N)Cc3ccc(C#N)cc3)n2)C1 ZINC000280287540 511408725 /nfs/dbraw/zinc/40/87/25/511408725.db2.gz MIXOXTWQZJCZTF-IAGOWNOFSA-N 1 2 351.410 2.573 20 30 FFEDLO CCCCCCCCCNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000283564793 511416965 /nfs/dbraw/zinc/41/69/65/511416965.db2.gz RNLDNHAMJXXFAK-UHFFFAOYSA-N 1 2 371.485 2.750 20 30 FFEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)S1 ZINC000280317451 511418680 /nfs/dbraw/zinc/41/86/80/511418680.db2.gz YXVBSEISEHMIOC-AWEZNQCLSA-N 1 2 356.495 2.737 20 30 FFEDLO CO[C@@H]1CCC[C@@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000280362871 511436701 /nfs/dbraw/zinc/43/67/01/511436701.db2.gz UVKUYMJOTLIFDY-WOJBJXKFSA-N 1 2 355.482 2.798 20 30 FFEDLO COc1ccc(OC)c2c1C[N@H+](CCOc1ccccc1C#N)C[C@H]2O ZINC000299016610 511485685 /nfs/dbraw/zinc/48/56/85/511485685.db2.gz FCEXLJVHDHIXEF-MRXNPFEDSA-N 1 2 354.406 2.503 20 30 FFEDLO COc1ccc(OC)c2c1C[N@@H+](CCOc1ccccc1C#N)C[C@H]2O ZINC000299016610 511485692 /nfs/dbraw/zinc/48/56/92/511485692.db2.gz FCEXLJVHDHIXEF-MRXNPFEDSA-N 1 2 354.406 2.503 20 30 FFEDLO Cc1ncc(CO)c(/C=[NH+]/CCCOCCOCc2ccccc2)c1O ZINC000272418573 511493035 /nfs/dbraw/zinc/49/30/35/511493035.db2.gz PXSRUZZMJQRRBA-FYJGNVAPSA-N 1 2 358.438 2.630 20 30 FFEDLO Cc1nn(C)c(=O)c(-c2nc(C[NH+]3CCC(C)(C#N)CC3)cs2)c1C ZINC000272483789 511496567 /nfs/dbraw/zinc/49/65/67/511496567.db2.gz BKHBWGRVSKMDEG-UHFFFAOYSA-N 1 2 357.483 2.646 20 30 FFEDLO C=C(C)C[NH+]1CCC(Nc2cc(C(C)=O)ccc2S(C)(=O)=O)CC1 ZINC000272792402 511506217 /nfs/dbraw/zinc/50/62/17/511506217.db2.gz CLXWBBRTAGNVBX-UHFFFAOYSA-N 1 2 350.484 2.745 20 30 FFEDLO CCN(CC)c1ccc(CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c[nH+]1 ZINC000280552456 511507399 /nfs/dbraw/zinc/50/73/99/511507399.db2.gz AXBRGAALRBVJEG-IBGZPJMESA-N 1 2 361.449 2.798 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000280558537 511511157 /nfs/dbraw/zinc/51/11/57/511511157.db2.gz JIQFEQFLCCNLHP-MRXNPFEDSA-N 1 2 369.400 2.606 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000280558533 511511309 /nfs/dbraw/zinc/51/13/09/511511309.db2.gz JIQFEQFLCCNLHP-INIZCTEOSA-N 1 2 369.400 2.606 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CC(C)(C)CC#N)c1ccc(F)cc1 ZINC000295954000 511567471 /nfs/dbraw/zinc/56/74/71/511567471.db2.gz MEEMXHIHTWAWHD-OAHLLOKOSA-N 1 2 364.446 2.508 20 30 FFEDLO C[C@@H](C[NH+]1CCN(C)CC1)Nc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000280717875 511575654 /nfs/dbraw/zinc/57/56/54/511575654.db2.gz LVDQZZUIJYBANC-INIZCTEOSA-N 1 2 366.513 2.532 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCC(C(=O)c3cccs3)CC2)cc1 ZINC000365784390 511651610 /nfs/dbraw/zinc/65/16/10/511651610.db2.gz FOZDKBGDEDFCAD-UHFFFAOYSA-N 1 2 367.474 2.831 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cnc4ccc(Cl)cn34)C2)nc1 ZINC000292722310 511698492 /nfs/dbraw/zinc/69/84/92/511698492.db2.gz FMZZTWPFNXWLBQ-INIZCTEOSA-N 1 2 353.813 2.908 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cnc4ccc(Cl)cn34)C2)nc1 ZINC000292722310 511698500 /nfs/dbraw/zinc/69/85/00/511698500.db2.gz FMZZTWPFNXWLBQ-INIZCTEOSA-N 1 2 353.813 2.908 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3c(Cl)nc4ccccn43)C2)nc1 ZINC000292801994 511725320 /nfs/dbraw/zinc/72/53/20/511725320.db2.gz NPTVFZXYCJUBAY-AWEZNQCLSA-N 1 2 353.813 2.908 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3c(Cl)nc4ccccn43)C2)nc1 ZINC000292801994 511725323 /nfs/dbraw/zinc/72/53/23/511725323.db2.gz NPTVFZXYCJUBAY-AWEZNQCLSA-N 1 2 353.813 2.908 20 30 FFEDLO NC(=[NH+]OCc1nc(-c2ccc(Br)s2)no1)[C@@H]1CCCO1 ZINC000284449471 511727380 /nfs/dbraw/zinc/72/73/80/511727380.db2.gz PUKYJUTXHOGAEV-ZETCQYMHSA-N 1 2 373.232 2.528 20 30 FFEDLO C=CCCCN(C)C(=O)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000284486159 511742078 /nfs/dbraw/zinc/74/20/78/511742078.db2.gz OZVBTZDVYDTUIZ-UHFFFAOYSA-N 1 2 358.486 2.503 20 30 FFEDLO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000296456304 511751110 /nfs/dbraw/zinc/75/11/10/511751110.db2.gz YSGWPALRAKTDRG-HRCADAONSA-N 1 2 362.499 2.503 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2c[nH]nc2-c2cccs2)n1 ZINC000366021190 511792548 /nfs/dbraw/zinc/79/25/48/511792548.db2.gz HDOCUROICNQUKV-UHFFFAOYSA-N 1 2 355.467 2.617 20 30 FFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2c[nH]nc2-c2cccs2)n1 ZINC000366021190 511792556 /nfs/dbraw/zinc/79/25/56/511792556.db2.gz HDOCUROICNQUKV-UHFFFAOYSA-N 1 2 355.467 2.617 20 30 FFEDLO C[C@H]1CN(c2ccc(CNc3cc(C#N)ccc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000274366453 511810763 /nfs/dbraw/zinc/81/07/63/511810763.db2.gz XJNNXUQPOWRUFW-ZDUSSCGKSA-N 1 2 353.382 2.699 20 30 FFEDLO CNS(=O)(=O)c1cccc2c1CC[N@@H+]([C@H](C)c1ccc(C#N)cc1)C2 ZINC000284667620 511816983 /nfs/dbraw/zinc/81/69/83/511816983.db2.gz GROQERSGCZFGDJ-CQSZACIVSA-N 1 2 355.463 2.586 20 30 FFEDLO CNS(=O)(=O)c1cccc2c1CC[N@H+]([C@H](C)c1ccc(C#N)cc1)C2 ZINC000284667620 511816987 /nfs/dbraw/zinc/81/69/87/511816987.db2.gz GROQERSGCZFGDJ-CQSZACIVSA-N 1 2 355.463 2.586 20 30 FFEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1=O ZINC000281370447 511821563 /nfs/dbraw/zinc/82/15/63/511821563.db2.gz OMQRMYJDHMVTKX-JKSUJKDBSA-N 1 2 354.372 2.866 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1=O ZINC000281370447 511821569 /nfs/dbraw/zinc/82/15/69/511821569.db2.gz OMQRMYJDHMVTKX-JKSUJKDBSA-N 1 2 354.372 2.866 20 30 FFEDLO Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCOCC2)c(O[C@@H]2CCOC2)c1 ZINC000328707852 511918781 /nfs/dbraw/zinc/91/87/81/511918781.db2.gz ZPOIUCJRFMNVSN-QGZVFWFLSA-N 1 2 362.470 2.730 20 30 FFEDLO CCCc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000293374446 511940840 /nfs/dbraw/zinc/94/08/40/511940840.db2.gz FWKGFQRVPBHXTD-ROUUACIJSA-N 1 2 361.511 2.638 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@](C)(O)C3)n2)C1 ZINC000328945393 511954761 /nfs/dbraw/zinc/95/47/61/511954761.db2.gz AXCJCDRUYVZJHJ-DYVFJYSZSA-N 1 2 352.504 2.767 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@](C)(O)C3)n2)C1 ZINC000328945393 511954770 /nfs/dbraw/zinc/95/47/70/511954770.db2.gz AXCJCDRUYVZJHJ-DYVFJYSZSA-N 1 2 352.504 2.767 20 30 FFEDLO O=C(NC1CCCC1)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000329148642 511993832 /nfs/dbraw/zinc/99/38/32/511993832.db2.gz PWBFUVBJCMCARE-GDBMZVCRSA-N 1 2 359.474 2.642 20 30 FFEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4nc(C(F)F)sc4c3)C[C@@H]21 ZINC000329236548 512009913 /nfs/dbraw/zinc/00/99/13/512009913.db2.gz JOTZLZLIEBPREP-RYUDHWBXSA-N 1 2 368.409 2.794 20 30 FFEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4nc(C(F)F)sc4c3)C[C@@H]21 ZINC000329236548 512009918 /nfs/dbraw/zinc/00/99/18/512009918.db2.gz JOTZLZLIEBPREP-RYUDHWBXSA-N 1 2 368.409 2.794 20 30 FFEDLO COc1cnc(NC(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)s1 ZINC000329239399 512011552 /nfs/dbraw/zinc/01/15/52/512011552.db2.gz LZQZXVPISONQMV-UHFFFAOYSA-N 1 2 367.500 2.670 20 30 FFEDLO COc1cnc(NC(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)s1 ZINC000329239399 512011557 /nfs/dbraw/zinc/01/15/57/512011557.db2.gz LZQZXVPISONQMV-UHFFFAOYSA-N 1 2 367.500 2.670 20 30 FFEDLO C=CC[C@@H](C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000275045473 512024807 /nfs/dbraw/zinc/02/48/07/512024807.db2.gz TYKCSLRVWHFHEG-LJQANCHMSA-N 1 2 354.454 2.514 20 30 FFEDLO CC[C@@H]1CC[C@H](C)N1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329313453 512025036 /nfs/dbraw/zinc/02/50/36/512025036.db2.gz GUGMEYMNLGLROI-XWESNNAXSA-N 1 2 373.501 2.792 20 30 FFEDLO CC(C)(CNC(=O)C1([NH+]2CCOCC2)CCC1)c1ccc2c(c1)OCO2 ZINC000329336109 512029013 /nfs/dbraw/zinc/02/90/13/512029013.db2.gz OYAWNMNGTHCQBJ-UHFFFAOYSA-N 1 2 360.454 2.904 20 30 FFEDLO Cc1ccc2[nH+]cc(/C=C3\CCc4c(cnn4-c4ncccn4)C3=O)n2c1 ZINC000366487654 512050220 /nfs/dbraw/zinc/05/02/20/512050220.db2.gz GJKHIIULKATKKC-NTEUORMPSA-N 1 2 356.389 2.831 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1CCC2(CCCCC2)O1 ZINC000329492525 512057356 /nfs/dbraw/zinc/05/73/56/512057356.db2.gz UABPVCPTVFHGSL-FGTMMUONSA-N 1 2 365.518 2.577 20 30 FFEDLO Cc1nc(N2CCN(C(=O)N[C@@H]3CSc4ccccc43)CC2)cc[nH+]1 ZINC000329580508 512072972 /nfs/dbraw/zinc/07/29/72/512072972.db2.gz PRHHHDIHFLZMEZ-OAHLLOKOSA-N 1 2 355.467 2.668 20 30 FFEDLO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCCCS1(=O)=O ZINC000329585228 512073521 /nfs/dbraw/zinc/07/35/21/512073521.db2.gz MBYUDDHDFLKLRZ-QGZVFWFLSA-N 1 2 368.474 2.714 20 30 FFEDLO Cc1nc(C[NH+]2CCC(CNC(=O)c3ncc(C)cc3O)CC2)oc1C ZINC000329613080 512077444 /nfs/dbraw/zinc/07/74/44/512077444.db2.gz DTULLMVOVMUPCI-UHFFFAOYSA-N 1 2 358.442 2.917 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)C[C@]2(CCOC2)O1 ZINC000366567483 512088005 /nfs/dbraw/zinc/08/80/05/512088005.db2.gz JCXLUGBAPVGUKF-WBMJQRKESA-N 1 2 351.244 2.701 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)C[C@]2(CCOC2)O1 ZINC000366567483 512088009 /nfs/dbraw/zinc/08/80/09/512088009.db2.gz JCXLUGBAPVGUKF-WBMJQRKESA-N 1 2 351.244 2.701 20 30 FFEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Br)C[C@]2(CCOC2)O1 ZINC000366567480 512088290 /nfs/dbraw/zinc/08/82/90/512088290.db2.gz JCXLUGBAPVGUKF-LRDDRELGSA-N 1 2 351.244 2.701 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)C[C@]2(CCOC2)O1 ZINC000366567480 512088293 /nfs/dbraw/zinc/08/82/93/512088293.db2.gz JCXLUGBAPVGUKF-LRDDRELGSA-N 1 2 351.244 2.701 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@]2(C)OCCc3sccc32)C1 ZINC000329733312 512091781 /nfs/dbraw/zinc/09/17/81/512091781.db2.gz QSZLBIYYZSMFLK-ACJLOTCBSA-N 1 2 360.483 2.673 20 30 FFEDLO Cc1nc(C(C)(C)[NH2+]CC(=O)N[C@H](C)C(=O)N2CCCCC2)sc1C ZINC000329779977 512096921 /nfs/dbraw/zinc/09/69/21/512096921.db2.gz RMXUAPYPORHBLV-CYBMUJFWSA-N 1 2 366.531 2.942 20 30 FFEDLO CC(C)c1nnc(CNC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)s1 ZINC000329832450 512102604 /nfs/dbraw/zinc/10/26/04/512102604.db2.gz KWCYCJVLKKCXFR-CQSZACIVSA-N 1 2 374.514 2.849 20 30 FFEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@H]3CCCc4sccc43)CC2)cn1 ZINC000329836560 512102972 /nfs/dbraw/zinc/10/29/72/512102972.db2.gz HWOQRFDZDWSXAR-INIZCTEOSA-N 1 2 359.499 2.591 20 30 FFEDLO Cc1[nH+]c2ccc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)cc2n1C ZINC000375692637 512458301 /nfs/dbraw/zinc/45/83/01/512458301.db2.gz PLSBUMTWOPPDKE-IBGZPJMESA-N 1 2 373.460 2.732 20 30 FFEDLO COc1ccccc1[C@H](NC(=O)NCC1(CC#N)CC1)c1[nH+]ccn1C ZINC000373717186 512470671 /nfs/dbraw/zinc/47/06/71/512470671.db2.gz BACVNQQYPAUOST-INIZCTEOSA-N 1 2 353.426 2.511 20 30 FFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(CCC#N)Cc1ccccn1)C2 ZINC000369641732 512529144 /nfs/dbraw/zinc/52/91/44/512529144.db2.gz VUFBCCCCNVAWBB-HNNXBMFYSA-N 1 2 351.454 2.975 20 30 FFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(CCC#N)Cc1ccccn1)CC2 ZINC000369641732 512529147 /nfs/dbraw/zinc/52/91/47/512529147.db2.gz VUFBCCCCNVAWBB-HNNXBMFYSA-N 1 2 351.454 2.975 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000377999031 512543705 /nfs/dbraw/zinc/54/37/05/512543705.db2.gz XRSWSVGSRFSAMF-YLJYHZDGSA-N 1 2 353.470 2.765 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000377999031 512543709 /nfs/dbraw/zinc/54/37/09/512543709.db2.gz XRSWSVGSRFSAMF-YLJYHZDGSA-N 1 2 353.470 2.765 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374013385 512621774 /nfs/dbraw/zinc/62/17/74/512621774.db2.gz HQJPWLSUSFQZGF-SXGZJXTBSA-N 1 2 368.437 2.767 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374013385 512621776 /nfs/dbraw/zinc/62/17/76/512621776.db2.gz HQJPWLSUSFQZGF-SXGZJXTBSA-N 1 2 368.437 2.767 20 30 FFEDLO C=CCOc1ccc(CNC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000411515796 512670156 /nfs/dbraw/zinc/67/01/56/512670156.db2.gz ILSDUQDMGQZALI-UHFFFAOYSA-N 1 2 353.422 2.827 20 30 FFEDLO CC[C@@H](C)[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)OC ZINC000411534090 512677886 /nfs/dbraw/zinc/67/78/86/512677886.db2.gz NPCSGDBBMLDWFV-BZNIZROVSA-N 1 2 351.834 2.718 20 30 FFEDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000370295421 512864097 /nfs/dbraw/zinc/86/40/97/512864097.db2.gz WBTSGFNLFWDLEY-QZTJIDSGSA-N 1 2 354.498 2.976 20 30 FFEDLO CCOC(=O)C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000382952072 512878718 /nfs/dbraw/zinc/87/87/18/512878718.db2.gz AEWOWSYFKVEZFX-UHFFFAOYSA-N 1 2 365.433 2.952 20 30 FFEDLO CCOC(=O)C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000382952072 512878721 /nfs/dbraw/zinc/87/87/21/512878721.db2.gz AEWOWSYFKVEZFX-UHFFFAOYSA-N 1 2 365.433 2.952 20 30 FFEDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000383121306 512880827 /nfs/dbraw/zinc/88/08/27/512880827.db2.gz YXQXTMVKOPUCDU-AWEZNQCLSA-N 1 2 361.492 2.515 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000383121306 512880829 /nfs/dbraw/zinc/88/08/29/512880829.db2.gz YXQXTMVKOPUCDU-AWEZNQCLSA-N 1 2 361.492 2.515 20 30 FFEDLO C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000407974028 512977578 /nfs/dbraw/zinc/97/75/78/512977578.db2.gz ZUVHARPGUHZGON-HOTGVXAUSA-N 1 2 358.461 2.609 20 30 FFEDLO CC(C)(CCC#N)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000376997325 513082671 /nfs/dbraw/zinc/08/26/71/513082671.db2.gz ZAFCMQDPEUIDAW-MOPGFXCFSA-N 1 2 370.497 2.611 20 30 FFEDLO CC(C)(CCC#N)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000376997325 513082673 /nfs/dbraw/zinc/08/26/73/513082673.db2.gz ZAFCMQDPEUIDAW-MOPGFXCFSA-N 1 2 370.497 2.611 20 30 FFEDLO CCOC(=O)c1c(NC(=O)NCc2cc(C)[nH+]c(C)c2)c(C#N)cn1CC ZINC000421185475 513142356 /nfs/dbraw/zinc/14/23/56/513142356.db2.gz QUBNSHVHHUDOIQ-UHFFFAOYSA-N 1 2 369.425 2.890 20 30 FFEDLO CN(C)C(=O)c1ccccc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000417703075 513172329 /nfs/dbraw/zinc/17/23/29/513172329.db2.gz QGJHZBFWIGRYHC-OAQYLSRUSA-N 1 2 362.477 2.771 20 30 FFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433959813 513198025 /nfs/dbraw/zinc/19/80/25/513198025.db2.gz WAFUBQVEFYSYMI-UHFFFAOYSA-N 1 2 370.497 2.591 20 30 FFEDLO N#Cc1ccc(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(Cl)c1 ZINC000446664064 513309253 /nfs/dbraw/zinc/30/92/53/513309253.db2.gz PNCIRGQVQZYDGR-UHFFFAOYSA-N 1 2 365.780 2.975 20 30 FFEDLO CCC[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000434620364 513370701 /nfs/dbraw/zinc/37/07/01/513370701.db2.gz JJMZQJBZJPRHOP-AWEZNQCLSA-N 1 2 358.410 2.559 20 30 FFEDLO CCC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000434620364 513370702 /nfs/dbraw/zinc/37/07/02/513370702.db2.gz JJMZQJBZJPRHOP-AWEZNQCLSA-N 1 2 358.410 2.559 20 30 FFEDLO CCCOc1cccnc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000429584301 513416966 /nfs/dbraw/zinc/41/69/66/513416966.db2.gz DGPVCEHLZQZQIP-UHFFFAOYSA-N 1 2 364.449 2.700 20 30 FFEDLO Cc1cc(NC[C@H](c2ccccc2Cl)N2CCOCC2)c(C#N)c[nH+]1 ZINC000425207133 513451904 /nfs/dbraw/zinc/45/19/04/513451904.db2.gz MKVFSUFHJSDJMO-LJQANCHMSA-N 1 2 356.857 2.822 20 30 FFEDLO Cc1cc(NC[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)c(C#N)c[nH+]1 ZINC000425226171 513462808 /nfs/dbraw/zinc/46/28/08/513462808.db2.gz HHLAFCLNJMZQBK-AWEZNQCLSA-N 1 2 365.355 2.845 20 30 FFEDLO C=CC[C@@H](C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1ccccc1 ZINC000447677725 513539424 /nfs/dbraw/zinc/53/94/24/513539424.db2.gz HIZIZQFDYXDIJR-HXUWFJFHSA-N 1 2 363.461 2.828 20 30 FFEDLO C=CC[C@@H](C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1ccccc1 ZINC000447677725 513539430 /nfs/dbraw/zinc/53/94/30/513539430.db2.gz HIZIZQFDYXDIJR-HXUWFJFHSA-N 1 2 363.461 2.828 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ncc(CC)s2)CC1 ZINC000441346900 513546759 /nfs/dbraw/zinc/54/67/59/513546759.db2.gz BFMWRFLVVCKPGJ-HNNXBMFYSA-N 1 2 350.532 2.641 20 30 FFEDLO CC(C)(C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCC(O)CC1 ZINC000416122580 513579207 /nfs/dbraw/zinc/57/92/07/513579207.db2.gz JMRDEQWRUFAQKO-UHFFFAOYSA-N 1 2 369.509 2.780 20 30 FFEDLO CC1(C)CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H]1C#N ZINC000451199441 513582629 /nfs/dbraw/zinc/58/26/29/513582629.db2.gz DWDUVVFTWQCHAC-MRXNPFEDSA-N 1 2 353.382 2.935 20 30 FFEDLO COCC[N@H+](Cc1cncs1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447833197 513589484 /nfs/dbraw/zinc/58/94/84/513589484.db2.gz NUGSMSSVGOCKKN-SFHVURJKSA-N 1 2 370.478 2.659 20 30 FFEDLO COCC[N@@H+](Cc1cncs1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447833197 513589489 /nfs/dbraw/zinc/58/94/89/513589489.db2.gz NUGSMSSVGOCKKN-SFHVURJKSA-N 1 2 370.478 2.659 20 30 FFEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)s1)c1ccccc1Cl ZINC000435443772 513592089 /nfs/dbraw/zinc/59/20/89/513592089.db2.gz PYZOBHAIQZLWDZ-CQSZACIVSA-N 1 2 369.899 2.854 20 30 FFEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nn1C(C)C ZINC000448580086 513791921 /nfs/dbraw/zinc/79/19/21/513791921.db2.gz WUYLUASDZRTZST-UHFFFAOYSA-N 1 2 351.454 2.602 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000413834203 513838875 /nfs/dbraw/zinc/83/88/75/513838875.db2.gz LLTXDXVNMBBNBY-MISYRCLQSA-N 1 2 357.498 2.678 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(c3nccnc3C)CC2)cc1OC ZINC000443062581 513858924 /nfs/dbraw/zinc/85/89/24/513858924.db2.gz LOVQDEUNBCCBAS-UHFFFAOYSA-N 1 2 354.454 2.681 20 30 FFEDLO N#CCC1(CS(=O)(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000451608364 513864088 /nfs/dbraw/zinc/86/40/88/513864088.db2.gz NBRRWHDILKDHPO-UHFFFAOYSA-N 1 2 364.858 2.639 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nccn1-c1cccc(Cl)c1 ZINC000414102144 513975992 /nfs/dbraw/zinc/97/59/92/513975992.db2.gz UXKWMZWSKDCYFT-HNNXBMFYSA-N 1 2 350.875 2.824 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nccn1-c1cccc(Cl)c1 ZINC000414102144 513975996 /nfs/dbraw/zinc/97/59/96/513975996.db2.gz UXKWMZWSKDCYFT-HNNXBMFYSA-N 1 2 350.875 2.824 20 30 FFEDLO Cc1nnc(SC[C@H](O)C[N@H+](C)CCC#N)n1[C@@H]1CCC[C@@H](C)C1 ZINC000414142719 513986804 /nfs/dbraw/zinc/98/68/04/513986804.db2.gz IKGRDJIDOGRGNE-FVQBIDKESA-N 1 2 351.520 2.636 20 30 FFEDLO Cc1nnc(SC[C@H](O)C[N@@H+](C)CCC#N)n1[C@@H]1CCC[C@@H](C)C1 ZINC000414142719 513986811 /nfs/dbraw/zinc/98/68/11/513986811.db2.gz IKGRDJIDOGRGNE-FVQBIDKESA-N 1 2 351.520 2.636 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1 ZINC000414144117 513987807 /nfs/dbraw/zinc/98/78/07/513987807.db2.gz OECSMXLSEZHYMK-IBGZPJMESA-N 1 2 369.421 2.771 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1 ZINC000414144117 513987817 /nfs/dbraw/zinc/98/78/17/513987817.db2.gz OECSMXLSEZHYMK-IBGZPJMESA-N 1 2 369.421 2.771 20 30 FFEDLO COc1cc(CN(CCC#N)CC[NH+]2CCOCC2)cc2ccccc21 ZINC000448990092 514010421 /nfs/dbraw/zinc/01/04/21/514010421.db2.gz GNGBNHWFUNEAAW-UHFFFAOYSA-N 1 2 353.466 2.896 20 30 FFEDLO Cc1cc(N2CCN(C(=O)c3cscc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000432051651 514077090 /nfs/dbraw/zinc/07/70/90/514077090.db2.gz FXSTVGMRXRFKSZ-UHFFFAOYSA-N 1 2 355.467 2.804 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000437573584 514184997 /nfs/dbraw/zinc/18/49/97/514184997.db2.gz BIYAYRYDYQXBTB-NRFANRHFSA-N 1 2 360.498 2.958 20 30 FFEDLO C=CCNc1ncc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)s1 ZINC000432932324 514326764 /nfs/dbraw/zinc/32/67/64/514326764.db2.gz HQOUCXHXQRRTJM-AWEZNQCLSA-N 1 2 372.494 2.808 20 30 FFEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000420895726 514359067 /nfs/dbraw/zinc/35/90/67/514359067.db2.gz ZYEDKAXFGUIVAJ-UHFFFAOYSA-N 1 2 365.462 2.519 20 30 FFEDLO C=CCn1c([C@H]2CCCS2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000424122503 514389969 /nfs/dbraw/zinc/38/99/69/514389969.db2.gz IXSVQDZDICZAJA-MRXNPFEDSA-N 1 2 359.499 2.947 20 30 FFEDLO COc1ccc2c(c1)OC(C)(C)C[N@H+]([C@@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000421044231 514456074 /nfs/dbraw/zinc/45/60/74/514456074.db2.gz SCEFEUDKXYTKMA-AWEZNQCLSA-N 1 2 357.454 2.619 20 30 FFEDLO COc1ccc2c(c1)OC(C)(C)C[N@@H+]([C@@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000421044231 514456079 /nfs/dbraw/zinc/45/60/79/514456079.db2.gz SCEFEUDKXYTKMA-AWEZNQCLSA-N 1 2 357.454 2.619 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1CNc1ccccc1C[NH+]1CCOCC1 ZINC000453072819 514535411 /nfs/dbraw/zinc/53/54/11/514535411.db2.gz IKKDUKGSEWYZQS-UHFFFAOYSA-N 1 2 352.394 2.911 20 30 FFEDLO C=CC[C@@H](CC)NC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000439376271 514541629 /nfs/dbraw/zinc/54/16/29/514541629.db2.gz JWIGCRIMUFGAKS-GOSISDBHSA-N 1 2 358.486 2.827 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450229944 514553734 /nfs/dbraw/zinc/55/37/34/514553734.db2.gz FHISCKTXBMCYFH-VDNDLQMASA-N 1 2 352.837 2.932 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450229944 514553740 /nfs/dbraw/zinc/55/37/40/514553740.db2.gz FHISCKTXBMCYFH-VDNDLQMASA-N 1 2 352.837 2.932 20 30 FFEDLO COCCn1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000475334490 514625416 /nfs/dbraw/zinc/62/54/16/514625416.db2.gz KOUBYEVFFFMZMN-LJQANCHMSA-N 1 2 373.888 2.565 20 30 FFEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471011748 514717504 /nfs/dbraw/zinc/71/75/04/514717504.db2.gz ZECWFBJDMPBYCR-IBGZPJMESA-N 1 2 372.900 2.723 20 30 FFEDLO CC(C)(C)Oc1ccc(NC(=O)NCC2([NH+]3CCOCC3)CC2)cc1C#N ZINC000455773359 514732275 /nfs/dbraw/zinc/73/22/75/514732275.db2.gz PQZMIUMFTUMJHH-UHFFFAOYSA-N 1 2 372.469 2.722 20 30 FFEDLO C[C@@H](NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000455787700 514737944 /nfs/dbraw/zinc/73/79/44/514737944.db2.gz FTTXFDWGGDKDEJ-HUUCEWRRSA-N 1 2 374.485 2.966 20 30 FFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000455797276 514744558 /nfs/dbraw/zinc/74/45/58/514744558.db2.gz VPUUUZGNNFNQJM-GFCCVEGCSA-N 1 2 358.833 2.827 20 30 FFEDLO CN(C)c1cc(NC(=O)N2CCC(F)(C#N)CC2)[nH+]cc1Br ZINC000455859616 514787565 /nfs/dbraw/zinc/78/75/65/514787565.db2.gz DAXSPCBLGXXWER-UHFFFAOYSA-N 1 2 370.226 2.770 20 30 FFEDLO COCC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1scnc1C ZINC000489477836 514861879 /nfs/dbraw/zinc/86/18/79/514861879.db2.gz MSGLVDQXQUTMLP-UHFFFAOYSA-N 1 2 372.494 2.847 20 30 FFEDLO COCC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1scnc1C ZINC000489477836 514861887 /nfs/dbraw/zinc/86/18/87/514861887.db2.gz MSGLVDQXQUTMLP-UHFFFAOYSA-N 1 2 372.494 2.847 20 30 FFEDLO C=CCCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000489685882 514937390 /nfs/dbraw/zinc/93/73/90/514937390.db2.gz BFXNDACWTIHBSF-IAGOWNOFSA-N 1 2 372.918 2.597 20 30 FFEDLO C=CCCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000489685882 514937401 /nfs/dbraw/zinc/93/74/01/514937401.db2.gz BFXNDACWTIHBSF-IAGOWNOFSA-N 1 2 372.918 2.597 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1[nH+]ccn1C ZINC000503199510 514954834 /nfs/dbraw/zinc/95/48/34/514954834.db2.gz IYPZVMGRWCIHME-AWEZNQCLSA-N 1 2 357.483 2.742 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](CCOC)[C@H]1CCOC1 ZINC000490049912 515081270 /nfs/dbraw/zinc/08/12/70/515081270.db2.gz XPDCIJCYFOEBSX-HNNXBMFYSA-N 1 2 350.484 2.641 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+](CCOC)[C@H]1CCOC1 ZINC000490049912 515081278 /nfs/dbraw/zinc/08/12/78/515081278.db2.gz XPDCIJCYFOEBSX-HNNXBMFYSA-N 1 2 350.484 2.641 20 30 FFEDLO CC(C)(CCC#N)CNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000476839221 515213469 /nfs/dbraw/zinc/21/34/69/515213469.db2.gz CTPOGWVROFAQRZ-GOSISDBHSA-N 1 2 358.486 2.689 20 30 FFEDLO CC[C@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCN1CC(F)F ZINC000499243568 515252249 /nfs/dbraw/zinc/25/22/49/515252249.db2.gz LYAZYMYMGKGTGE-HNNXBMFYSA-N 1 2 361.396 2.770 20 30 FFEDLO CC[C@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCN1CC(F)F ZINC000499243568 515252260 /nfs/dbraw/zinc/25/22/60/515252260.db2.gz LYAZYMYMGKGTGE-HNNXBMFYSA-N 1 2 361.396 2.770 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000481240699 515258885 /nfs/dbraw/zinc/25/88/85/515258885.db2.gz SDWJCARQUBSDGM-KKSFZXQISA-N 1 2 365.481 2.673 20 30 FFEDLO C=CCC1(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCCC1 ZINC000454355129 515426610 /nfs/dbraw/zinc/42/66/10/515426610.db2.gz BGFATIVDMLJCDM-LJQANCHMSA-N 1 2 367.559 2.630 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC=C(COC)CC2)cc1 ZINC000481837153 515482803 /nfs/dbraw/zinc/48/28/03/515482803.db2.gz COFRMWYVRSMOJF-UHFFFAOYSA-N 1 2 357.454 2.610 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC=C(COC)CC2)cc1 ZINC000481837153 515482815 /nfs/dbraw/zinc/48/28/15/515482815.db2.gz COFRMWYVRSMOJF-UHFFFAOYSA-N 1 2 357.454 2.610 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)C1=O ZINC000499936505 515521170 /nfs/dbraw/zinc/52/11/70/515521170.db2.gz AAHAEXOQQVGMDD-PXNSSMCTSA-N 1 2 369.509 2.532 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)C1=O ZINC000499936505 515521179 /nfs/dbraw/zinc/52/11/79/515521179.db2.gz AAHAEXOQQVGMDD-PXNSSMCTSA-N 1 2 369.509 2.532 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)c2cccc(C#N)c2C)[NH+]2CCOCC2)c1 ZINC000510479277 515551412 /nfs/dbraw/zinc/55/14/12/515551412.db2.gz ZMDDXTVIUNQQTH-NRFANRHFSA-N 1 2 363.461 2.978 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000459442704 515553986 /nfs/dbraw/zinc/55/39/86/515553986.db2.gz PLDCXYXIGBHJFV-CQSZACIVSA-N 1 2 368.393 2.701 20 30 FFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000459442704 515553997 /nfs/dbraw/zinc/55/39/97/515553997.db2.gz PLDCXYXIGBHJFV-CQSZACIVSA-N 1 2 368.393 2.701 20 30 FFEDLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000477748261 515576594 /nfs/dbraw/zinc/57/65/94/515576594.db2.gz ZKLGVEHLRABEES-HXUWFJFHSA-N 1 2 350.418 2.927 20 30 FFEDLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCCOc1cccc(C#N)c1 ZINC000477748261 515576608 /nfs/dbraw/zinc/57/66/08/515576608.db2.gz ZKLGVEHLRABEES-HXUWFJFHSA-N 1 2 350.418 2.927 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000505625652 515614244 /nfs/dbraw/zinc/61/42/44/515614244.db2.gz XWRCASQXJSPQQX-INIZCTEOSA-N 1 2 352.438 2.873 20 30 FFEDLO COC(=O)c1cccc2c1CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C2 ZINC000459530950 515624280 /nfs/dbraw/zinc/62/42/80/515624280.db2.gz CBSSMHRUXULLKR-UHFFFAOYSA-N 1 2 369.465 2.516 20 30 FFEDLO COC(=O)c1cccc2c1CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C2 ZINC000459530950 515624291 /nfs/dbraw/zinc/62/42/91/515624291.db2.gz CBSSMHRUXULLKR-UHFFFAOYSA-N 1 2 369.465 2.516 20 30 FFEDLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000459596558 515680991 /nfs/dbraw/zinc/68/09/91/515680991.db2.gz SEZDTOWNLSIFOZ-UHFFFAOYSA-N 1 2 350.426 3.000 20 30 FFEDLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000459596558 515680999 /nfs/dbraw/zinc/68/09/99/515680999.db2.gz SEZDTOWNLSIFOZ-UHFFFAOYSA-N 1 2 350.426 3.000 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494250224 515785298 /nfs/dbraw/zinc/78/52/98/515785298.db2.gz HHJQEXHLNDZGHZ-UHFFFAOYSA-N 1 2 361.804 2.784 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494250224 515785309 /nfs/dbraw/zinc/78/53/09/515785309.db2.gz HHJQEXHLNDZGHZ-UHFFFAOYSA-N 1 2 361.804 2.784 20 30 FFEDLO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000511122527 515793121 /nfs/dbraw/zinc/79/31/21/515793121.db2.gz GYKAZIDAIYCNAU-MRXNPFEDSA-N 1 2 365.886 2.905 20 30 FFEDLO C=CC[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000511122527 515793127 /nfs/dbraw/zinc/79/31/27/515793127.db2.gz GYKAZIDAIYCNAU-MRXNPFEDSA-N 1 2 365.886 2.905 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(Br)co3)CC2)cc1 ZINC000457398748 515846965 /nfs/dbraw/zinc/84/69/65/515846965.db2.gz XFURWPCRKBCBDC-UHFFFAOYSA-N 1 2 374.238 2.872 20 30 FFEDLO C=CCCCCCN(C)C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000459857975 515854065 /nfs/dbraw/zinc/85/40/65/515854065.db2.gz DPEOBZQPNDPTRQ-UHFFFAOYSA-N 1 2 363.527 2.597 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1C#N ZINC000506449571 515883611 /nfs/dbraw/zinc/88/36/11/515883611.db2.gz ZHPMCLHNCSOFDI-AWEZNQCLSA-N 1 2 372.450 2.541 20 30 FFEDLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000464825503 515978055 /nfs/dbraw/zinc/97/80/55/515978055.db2.gz BJIDDDUTRICCHZ-FQEVSTJZSA-N 1 2 363.417 2.659 20 30 FFEDLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000464825503 515978065 /nfs/dbraw/zinc/97/80/65/515978065.db2.gz BJIDDDUTRICCHZ-FQEVSTJZSA-N 1 2 363.417 2.659 20 30 FFEDLO CN1CC[NH+](Cc2cccc(NC(=O)Cc3c(F)cccc3C#N)c2)CC1 ZINC000506789754 515986422 /nfs/dbraw/zinc/98/64/22/515986422.db2.gz WTUDQKQMZYNAHK-UHFFFAOYSA-N 1 2 366.440 2.626 20 30 FFEDLO N#CC1(NC(=O)C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)CCCCC1 ZINC000483243864 516000969 /nfs/dbraw/zinc/00/09/69/516000969.db2.gz YUQDCWBEXSNSOY-CQSZACIVSA-N 1 2 370.280 2.959 20 30 FFEDLO Cc1cccc(NC(=O)C[NH+]2CCN(c3ccc(C#N)c(C)n3)CC2)c1C ZINC000487913819 516031634 /nfs/dbraw/zinc/03/16/34/516031634.db2.gz OACFWHHBYLXYAL-UHFFFAOYSA-N 1 2 363.465 2.639 20 30 FFEDLO N#CC1CC[NH+]([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000487997952 516072171 /nfs/dbraw/zinc/07/21/71/516072171.db2.gz XIMQREAKJILDRD-CQSZACIVSA-N 1 2 351.328 2.573 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+]1Cc2cc(Br)ccc2C[C@@H]1C ZINC000501421705 516101351 /nfs/dbraw/zinc/10/13/51/516101351.db2.gz LQCWCFZPOXRZEX-ZDUSSCGKSA-N 1 2 364.287 2.958 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+]1Cc2cc(Br)ccc2C[C@@H]1C ZINC000501421705 516101359 /nfs/dbraw/zinc/10/13/59/516101359.db2.gz LQCWCFZPOXRZEX-ZDUSSCGKSA-N 1 2 364.287 2.958 20 30 FFEDLO C=CCOc1ccccc1C[NH+]1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000507220844 516129226 /nfs/dbraw/zinc/12/92/26/516129226.db2.gz ALEWILOPDOFSLG-IBGZPJMESA-N 1 2 371.525 2.770 20 30 FFEDLO C=CCOc1ccccc1CN1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000507220844 516129232 /nfs/dbraw/zinc/12/92/32/516129232.db2.gz ALEWILOPDOFSLG-IBGZPJMESA-N 1 2 371.525 2.770 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000507276290 516152179 /nfs/dbraw/zinc/15/21/79/516152179.db2.gz FUUIINPEAXYMBP-UHFFFAOYSA-N 1 2 354.841 2.972 20 30 FFEDLO N#CC[C@@H](CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1ccccc1 ZINC000474772514 516188274 /nfs/dbraw/zinc/18/82/74/516188274.db2.gz GCZXMTFHTHKCTN-IBGZPJMESA-N 1 2 364.449 2.622 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000512198627 516194458 /nfs/dbraw/zinc/19/44/58/516194458.db2.gz UBTDWJJGRXEREX-MRXNPFEDSA-N 1 2 359.470 2.881 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000512198627 516194462 /nfs/dbraw/zinc/19/44/62/516194462.db2.gz UBTDWJJGRXEREX-MRXNPFEDSA-N 1 2 359.470 2.881 20 30 FFEDLO Cc1ccc(OC[C@H](O)C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c(C)c1 ZINC000460599129 516198362 /nfs/dbraw/zinc/19/83/62/516198362.db2.gz RADTVZWIZNOQMJ-GOSISDBHSA-N 1 2 352.434 2.678 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000507447045 516213297 /nfs/dbraw/zinc/21/32/97/516213297.db2.gz VDFBCYNHUHTITH-KRWDZBQOSA-N 1 2 368.437 2.581 20 30 FFEDLO N#CCCCN1C(=O)CCc2cc(NC(=O)CCc3c[nH+]c[nH]3)ccc21 ZINC000507835548 516311273 /nfs/dbraw/zinc/31/12/73/516311273.db2.gz BMXCERHQXAWYMN-UHFFFAOYSA-N 1 2 351.410 2.564 20 30 FFEDLO N#CCCCN1C(=O)CCc2cc(NC(=O)CCc3c[nH]c[nH+]3)ccc21 ZINC000507835548 516311275 /nfs/dbraw/zinc/31/12/75/516311275.db2.gz BMXCERHQXAWYMN-UHFFFAOYSA-N 1 2 351.410 2.564 20 30 FFEDLO C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000497476584 516323461 /nfs/dbraw/zinc/32/34/61/516323461.db2.gz RWKLKKVJAZKSPS-ZDUSSCGKSA-N 1 2 366.450 2.948 20 30 FFEDLO CC(C)(C#N)CNC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000512788388 516358263 /nfs/dbraw/zinc/35/82/63/516358263.db2.gz POBGDGRNUJOCPG-UHFFFAOYSA-N 1 2 364.877 2.596 20 30 FFEDLO Cc1cc([C@H]2C[N@H+](C[C@@H](O)COc3ccccc3C#N)CCO2)ccc1F ZINC000528435252 516432971 /nfs/dbraw/zinc/43/29/71/516432971.db2.gz ZQIGSYWWDPKDQN-WIYYLYMNSA-N 1 2 370.424 2.819 20 30 FFEDLO Cc1cc([C@H]2C[N@@H+](C[C@@H](O)COc3ccccc3C#N)CCO2)ccc1F ZINC000528435252 516432977 /nfs/dbraw/zinc/43/29/77/516432977.db2.gz ZQIGSYWWDPKDQN-WIYYLYMNSA-N 1 2 370.424 2.819 20 30 FFEDLO CCc1ccc([C@@H]2C[N@H+](C[C@H](O)COc3ccccc3C#N)CCO2)cc1 ZINC000528473889 516462748 /nfs/dbraw/zinc/46/27/48/516462748.db2.gz JEZYULPVHDHVHB-UNMCSNQZSA-N 1 2 366.461 2.934 20 30 FFEDLO CCc1ccc([C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3C#N)CCO2)cc1 ZINC000528473889 516462757 /nfs/dbraw/zinc/46/27/57/516462757.db2.gz JEZYULPVHDHVHB-UNMCSNQZSA-N 1 2 366.461 2.934 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000523442104 516473704 /nfs/dbraw/zinc/47/37/04/516473704.db2.gz LXYGSCFZEQIWCO-FQEVSTJZSA-N 1 2 356.445 2.781 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000523442104 516473710 /nfs/dbraw/zinc/47/37/10/516473710.db2.gz LXYGSCFZEQIWCO-FQEVSTJZSA-N 1 2 356.445 2.781 20 30 FFEDLO CCC[N@H+](CCN1CCCCC1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000513158686 516498048 /nfs/dbraw/zinc/49/80/48/516498048.db2.gz IITZWHSGQJWVJR-UHFFFAOYSA-N 1 2 363.527 2.530 20 30 FFEDLO CCC[N@@H+](CCN1CCCCC1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000513158686 516498056 /nfs/dbraw/zinc/49/80/56/516498056.db2.gz IITZWHSGQJWVJR-UHFFFAOYSA-N 1 2 363.527 2.530 20 30 FFEDLO CC[N@H+](CC(=O)N1CCCCCC1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000513199967 516514966 /nfs/dbraw/zinc/51/49/66/516514966.db2.gz FBIPWXFFQMCMAO-MRXNPFEDSA-N 1 2 356.470 2.610 20 30 FFEDLO CC[N@@H+](CC(=O)N1CCCCCC1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000513199967 516514974 /nfs/dbraw/zinc/51/49/74/516514974.db2.gz FBIPWXFFQMCMAO-MRXNPFEDSA-N 1 2 356.470 2.610 20 30 FFEDLO C=CCNC(=O)c1ccc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)nc1 ZINC000523756960 516569630 /nfs/dbraw/zinc/56/96/30/516569630.db2.gz RHWVINCXOBBZHG-INIZCTEOSA-N 1 2 360.408 2.990 20 30 FFEDLO C[C@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000531650091 516576771 /nfs/dbraw/zinc/57/67/71/516576771.db2.gz LEYSBGCDNHZPPE-QFBILLFUSA-N 1 2 372.488 2.856 20 30 FFEDLO CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000540563957 516621951 /nfs/dbraw/zinc/62/19/51/516621951.db2.gz MRSXWPDZEDMCIG-AWEZNQCLSA-N 1 2 366.402 2.996 20 30 FFEDLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000555092089 516777351 /nfs/dbraw/zinc/77/73/51/516777351.db2.gz DLXFPBOVJSABHD-LLVKDONJSA-N 1 2 360.401 2.975 20 30 FFEDLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000555092089 516777358 /nfs/dbraw/zinc/77/73/58/516777358.db2.gz DLXFPBOVJSABHD-LLVKDONJSA-N 1 2 360.401 2.975 20 30 FFEDLO Cc1ccc([C@@H](CNC(=O)N2CCC(CC#N)CC2)[NH+]2CCOCC2)cc1 ZINC000541034416 516840588 /nfs/dbraw/zinc/84/05/88/516840588.db2.gz GNGAVBYBZHZZLE-HXUWFJFHSA-N 1 2 370.497 2.704 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000558661805 516868919 /nfs/dbraw/zinc/86/89/19/516868919.db2.gz RRHOTUPKTATLQD-OLZOCXBDSA-N 1 2 355.467 2.579 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](n2cccn2)C1 ZINC000558661805 516868926 /nfs/dbraw/zinc/86/89/26/516868926.db2.gz RRHOTUPKTATLQD-OLZOCXBDSA-N 1 2 355.467 2.579 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CC1(C#N)CCCC1)c1ccccc1 ZINC000544750827 516912213 /nfs/dbraw/zinc/91/22/13/516912213.db2.gz ZLZJMKDCZSLCRF-MRXNPFEDSA-N 1 2 358.467 2.513 20 30 FFEDLO CC1CCN(c2ccc(CNc3nc4c(cc3C#N)COCC4)c[nH+]2)CC1 ZINC000514581018 516945814 /nfs/dbraw/zinc/94/58/14/516945814.db2.gz NBQCVJZJFUNRAL-UHFFFAOYSA-N 1 2 363.465 2.691 20 30 FFEDLO CCC(CC)[C@@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)[NH+]1CCOCC1 ZINC000555535289 516958877 /nfs/dbraw/zinc/95/88/77/516958877.db2.gz VQTBHKUXPKUBMK-SFHVURJKSA-N 1 2 365.424 2.590 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000548425764 516978129 /nfs/dbraw/zinc/97/81/29/516978129.db2.gz APTMVSRQGYVFNL-SPYBWZPUSA-N 1 2 359.445 2.960 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000548425764 516978135 /nfs/dbraw/zinc/97/81/35/516978135.db2.gz APTMVSRQGYVFNL-SPYBWZPUSA-N 1 2 359.445 2.960 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000519511111 517018026 /nfs/dbraw/zinc/01/80/26/517018026.db2.gz TULDLNLCGZYTAR-OAQYLSRUSA-N 1 2 374.448 2.508 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000532531676 517022406 /nfs/dbraw/zinc/02/24/06/517022406.db2.gz LZPUHCPHKAQRDB-UHFFFAOYSA-N 1 2 361.449 2.826 20 30 FFEDLO COc1ccccc1NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548798930 517222767 /nfs/dbraw/zinc/22/27/67/517222767.db2.gz SZYVDTLURMSRLC-UHFFFAOYSA-N 1 2 350.422 2.586 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1cc(C#N)ccc1C ZINC000519860318 517225034 /nfs/dbraw/zinc/22/50/34/517225034.db2.gz RCQGABDJBHSGCB-UHFFFAOYSA-N 1 2 354.435 2.503 20 30 FFEDLO CCOc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)c(F)cc1OC ZINC000529581579 517229398 /nfs/dbraw/zinc/22/93/98/517229398.db2.gz UARFINTXWSCPAQ-UHFFFAOYSA-N 1 2 370.428 2.822 20 30 FFEDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1F ZINC000545506099 517270628 /nfs/dbraw/zinc/27/06/28/517270628.db2.gz JDLNCYBSPFHWJZ-OAHLLOKOSA-N 1 2 367.428 2.550 20 30 FFEDLO COc1nc2ccccc2cc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000545552182 517289304 /nfs/dbraw/zinc/28/93/04/517289304.db2.gz IZTDGAOKBFSAEU-UHFFFAOYSA-N 1 2 359.433 2.832 20 30 FFEDLO N#Cc1cccc(CC(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)c1 ZINC000527258919 517598213 /nfs/dbraw/zinc/59/82/13/517598213.db2.gz SJCVMBXDOLTISR-UHFFFAOYSA-N 1 2 374.366 2.863 20 30 FFEDLO N#Cc1ccc(-c2nnc(CN3CC[NH+](Cc4ccsc4)CC3)o2)cc1 ZINC000533814552 517625110 /nfs/dbraw/zinc/62/51/10/517625110.db2.gz BGDYHTZNONLINV-UHFFFAOYSA-N 1 2 365.462 2.988 20 30 FFEDLO N#Cc1ccncc1C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000553337058 517653507 /nfs/dbraw/zinc/65/35/07/517653507.db2.gz VNZGWDVOHJDNPN-UHFFFAOYSA-N 1 2 369.428 2.841 20 30 FFEDLO N#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1cccc(C(F)(F)F)c1 ZINC000521352669 517701531 /nfs/dbraw/zinc/70/15/31/517701531.db2.gz GMNDFSSOQDBVTN-AWEZNQCLSA-N 1 2 372.310 2.676 20 30 FFEDLO Cc1cc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)nn1-c1cccc(C#N)c1 ZINC000542811689 517759227 /nfs/dbraw/zinc/75/92/27/517759227.db2.gz WEGOFGJXAVTCNW-SFHVURJKSA-N 1 2 360.421 2.554 20 30 FFEDLO CCN1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530427354 517769517 /nfs/dbraw/zinc/76/95/17/517769517.db2.gz DICDRTPXLLHQFJ-GFCCVEGCSA-N 1 2 350.348 2.578 20 30 FFEDLO Cc1cccc([C@@H](CNC(=O)N2CCC(CC#N)CC2)[NH+]2CCOCC2)c1 ZINC000542846551 517776896 /nfs/dbraw/zinc/77/68/96/517776896.db2.gz NUHSVUGUFMXXLU-HXUWFJFHSA-N 1 2 370.497 2.704 20 30 FFEDLO CN(C)c1ncc(Br)c(/C=C/c2c[nH+]c3ccc(C#N)cn23)n1 ZINC000550011488 517822211 /nfs/dbraw/zinc/82/22/11/517822211.db2.gz HVEOEHQKZPNMIF-SNAWJCMRSA-N 1 2 369.226 2.995 20 30 FFEDLO COC(=O)c1cccc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)c1C#N ZINC000534315611 517848780 /nfs/dbraw/zinc/84/87/80/517848780.db2.gz SOULLGYIIZWKAX-UHFFFAOYSA-N 1 2 357.454 2.519 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CC3CCC(=O)CC3)CC2)cc1 ZINC000530558538 517851043 /nfs/dbraw/zinc/85/10/43/517851043.db2.gz AQWJZRGWNJGSFP-UHFFFAOYSA-N 1 2 353.466 2.742 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CC3CCC(=O)CC3)CC2)cc1 ZINC000530558538 517851049 /nfs/dbraw/zinc/85/10/49/517851049.db2.gz AQWJZRGWNJGSFP-UHFFFAOYSA-N 1 2 353.466 2.742 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000521820965 517860741 /nfs/dbraw/zinc/86/07/41/517860741.db2.gz KEUIRHGWYGRYLI-UHFFFAOYSA-N 1 2 368.868 2.650 20 30 FFEDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1 ZINC000521950522 517914730 /nfs/dbraw/zinc/91/47/30/517914730.db2.gz BDESKGUORICQGK-OAHLLOKOSA-N 1 2 361.405 2.986 20 30 FFEDLO CC(C)C[C@](C)(C#N)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000534597098 517958785 /nfs/dbraw/zinc/95/87/85/517958785.db2.gz ICUHNUJMCCQWNI-HXUWFJFHSA-N 1 2 367.453 2.970 20 30 FFEDLO C=CCOc1cccnc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000539291055 517980813 /nfs/dbraw/zinc/98/08/13/517980813.db2.gz AEOUVQVXXLKHCR-UHFFFAOYSA-N 1 2 353.422 2.731 20 30 FFEDLO Cc1cc[nH+]cc1N1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000534646212 517981577 /nfs/dbraw/zinc/98/15/77/517981577.db2.gz LRPRSDIOBRPBCU-UHFFFAOYSA-N 1 2 369.856 2.676 20 30 FFEDLO COc1ccc([C@@H](CNc2cc(C)nc(C#N)c2)[NH+]2CCOCC2)cc1 ZINC000557477068 518024363 /nfs/dbraw/zinc/02/43/63/518024363.db2.gz KVSFPVKYSLKGHF-HXUWFJFHSA-N 1 2 352.438 2.756 20 30 FFEDLO N#Cc1ccc(Cc2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cn1 ZINC000528118664 518103258 /nfs/dbraw/zinc/10/32/58/518103258.db2.gz HZSCSMGQWIXLOJ-GOSISDBHSA-N 1 2 361.405 2.501 20 30 FFEDLO N#Cc1ccc(Cc2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cn1 ZINC000528118664 518103268 /nfs/dbraw/zinc/10/32/68/518103268.db2.gz HZSCSMGQWIXLOJ-GOSISDBHSA-N 1 2 361.405 2.501 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)Cc3cccc(C#N)c3)CC2)cc1 ZINC000531157563 518156531 /nfs/dbraw/zinc/15/65/31/518156531.db2.gz ALFNVHLNMHBFDK-UHFFFAOYSA-N 1 2 363.461 2.844 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cnc2c(Br)cccc2c1 ZINC000581297630 518217374 /nfs/dbraw/zinc/21/73/74/518217374.db2.gz QFUPVGWPBAQYSA-CYBMUJFWSA-N 1 2 364.243 2.582 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cnc2c(Br)cccc2c1 ZINC000581297630 518217380 /nfs/dbraw/zinc/21/73/80/518217380.db2.gz QFUPVGWPBAQYSA-CYBMUJFWSA-N 1 2 364.243 2.582 20 30 FFEDLO C[N@@H+](Cc1nc(C#N)cs1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000584812132 518487022 /nfs/dbraw/zinc/48/70/22/518487022.db2.gz MLOVDLGLUIQCNO-CYBMUJFWSA-N 1 2 371.384 2.905 20 30 FFEDLO C[N@H+](Cc1nc(C#N)cs1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000584812132 518487025 /nfs/dbraw/zinc/48/70/25/518487025.db2.gz MLOVDLGLUIQCNO-CYBMUJFWSA-N 1 2 371.384 2.905 20 30 FFEDLO CCc1nnc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnoc2C)c(C#N)c1CC ZINC000564791461 518616362 /nfs/dbraw/zinc/61/63/62/518616362.db2.gz ZUKQXZSZFCZTHH-GJZGRUSLSA-N 1 2 372.448 2.794 20 30 FFEDLO CCc1nnc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnoc2C)c(C#N)c1CC ZINC000564791461 518616367 /nfs/dbraw/zinc/61/63/67/518616367.db2.gz ZUKQXZSZFCZTHH-GJZGRUSLSA-N 1 2 372.448 2.794 20 30 FFEDLO C=CCCCCNC(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000579382310 518653879 /nfs/dbraw/zinc/65/38/79/518653879.db2.gz SVICRKREORKTMY-MRXNPFEDSA-N 1 2 351.878 2.531 20 30 FFEDLO N#Cc1ccc(OCc2ccc(C(=O)N[C@H]3CCc4c[nH+]cn4C3)o2)cc1 ZINC000587044994 518674594 /nfs/dbraw/zinc/67/45/94/518674594.db2.gz FSBMKDFZFYMBSF-HNNXBMFYSA-N 1 2 362.389 2.672 20 30 FFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000567748353 518691260 /nfs/dbraw/zinc/69/12/60/518691260.db2.gz RXOUZTIROBBRFM-HNNXBMFYSA-N 1 2 353.426 2.838 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H](C)[S@]1=O ZINC000582328379 518698751 /nfs/dbraw/zinc/69/87/51/518698751.db2.gz WNKUROABZHTUKT-FMISHOMQSA-N 1 2 371.510 2.590 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H](C)[S@]1=O ZINC000582328379 518698757 /nfs/dbraw/zinc/69/87/57/518698757.db2.gz WNKUROABZHTUKT-FMISHOMQSA-N 1 2 371.510 2.590 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)CCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000588023574 518704736 /nfs/dbraw/zinc/70/47/36/518704736.db2.gz YKTLEXNGEGQPQY-UHFFFAOYSA-N 1 2 356.401 2.744 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2c(Br)cccc2cn1 ZINC000565052006 518763129 /nfs/dbraw/zinc/76/31/29/518763129.db2.gz UGXUPGWQNARENR-MRXNPFEDSA-N 1 2 361.243 2.571 20 30 FFEDLO N#Cc1ccc(CNc2ccccc2C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000565056913 518764964 /nfs/dbraw/zinc/76/49/64/518764964.db2.gz VGFWLKOVYWUPCK-UHFFFAOYSA-N 1 2 352.394 2.911 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(CSC2CCOCC2)c1 ZINC000573794803 518838772 /nfs/dbraw/zinc/83/87/72/518838772.db2.gz FBBSZDQCIFOPKI-GOSISDBHSA-N 1 2 363.527 2.717 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(CSC2CCOCC2)c1 ZINC000573794803 518838779 /nfs/dbraw/zinc/83/87/79/518838779.db2.gz FBBSZDQCIFOPKI-GOSISDBHSA-N 1 2 363.527 2.717 20 30 FFEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000570926486 518845331 /nfs/dbraw/zinc/84/53/31/518845331.db2.gz YFDIOFZCNDBKOQ-UHFFFAOYSA-N 1 2 366.856 2.779 20 30 FFEDLO CC(C)[C@H]1c2ccccc2CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588961972 518882185 /nfs/dbraw/zinc/88/21/85/518882185.db2.gz AJBPUQYGIHVXMO-FQEVSTJZSA-N 1 2 369.490 2.982 20 30 FFEDLO CC(C)[C@H]1c2ccccc2CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588961972 518882187 /nfs/dbraw/zinc/88/21/87/518882187.db2.gz AJBPUQYGIHVXMO-FQEVSTJZSA-N 1 2 369.490 2.982 20 30 FFEDLO Cc1nc(N)c(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c[nH+]1 ZINC000577209848 518967595 /nfs/dbraw/zinc/96/75/95/518967595.db2.gz DFLFQLZYXKSZKH-UHFFFAOYSA-N 1 2 359.389 2.792 20 30 FFEDLO C[C@@H](Nc1cc(Br)c(C#N)cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000577509313 519118669 /nfs/dbraw/zinc/11/86/69/519118669.db2.gz CZKYGVZTTRESRO-MNOVXSKESA-N 1 2 356.239 2.981 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000580370536 519139121 /nfs/dbraw/zinc/13/91/21/519139121.db2.gz MVRPZNRGVLEOSS-HKUYNNGSSA-N 1 2 352.425 2.887 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1cc(Cl)ccc1Br ZINC000571688492 519221173 /nfs/dbraw/zinc/22/11/73/519221173.db2.gz JBQTYXHIVOSHOW-OAHLLOKOSA-N 1 2 372.694 2.995 20 30 FFEDLO C[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccc(Br)cc1 ZINC000583444098 519251118 /nfs/dbraw/zinc/25/11/18/519251118.db2.gz NBEFLNSWFIKSEU-MLGOLLRUSA-N 1 2 352.276 2.903 20 30 FFEDLO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N[C@](C)(C#N)C[NH+](C)C)s1 ZINC000568986933 519318798 /nfs/dbraw/zinc/31/87/98/519318798.db2.gz HXIXAIYXUGAMAS-LJQANCHMSA-N 1 2 356.495 2.930 20 30 FFEDLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC000580843973 519389618 /nfs/dbraw/zinc/38/96/18/519389618.db2.gz JRMUVQCLBSLCEL-ZDUSSCGKSA-N 1 2 372.270 2.994 20 30 FFEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000569175473 519414006 /nfs/dbraw/zinc/41/40/06/519414006.db2.gz MRZCHOSVEUUEBG-UHFFFAOYSA-N 1 2 372.406 2.751 20 30 FFEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000569175473 519414013 /nfs/dbraw/zinc/41/40/13/519414013.db2.gz MRZCHOSVEUUEBG-UHFFFAOYSA-N 1 2 372.406 2.751 20 30 FFEDLO CCc1c(C)nn(-c2cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2)c1C ZINC000566308899 519426883 /nfs/dbraw/zinc/42/68/83/519426883.db2.gz KZSKWYVUIGEEII-HXUWFJFHSA-N 1 2 353.470 2.625 20 30 FFEDLO C=CCCCCCNC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000581082528 519515545 /nfs/dbraw/zinc/51/55/45/519515545.db2.gz NDMIEUUNDXCVQV-UHFFFAOYSA-N 1 2 358.486 2.551 20 30 FFEDLO CC1(C)CCCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)[C@@H]1C#N ZINC000581289340 519615864 /nfs/dbraw/zinc/61/58/64/519615864.db2.gz RQAXLASOTDEBHY-QGZVFWFLSA-N 1 2 358.467 2.634 20 30 FFEDLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857022 519928620 /nfs/dbraw/zinc/92/86/20/519928620.db2.gz NXWYFPRLYOCUIY-UXLLHSPISA-N 1 2 360.527 2.502 20 30 FFEDLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857022 519928628 /nfs/dbraw/zinc/92/86/28/519928628.db2.gz NXWYFPRLYOCUIY-UXLLHSPISA-N 1 2 360.527 2.502 20 30 FFEDLO N#Cc1ccc(C2CC[NH+](CC(=O)Nc3nc4c(s3)CCC4)CC2)nc1 ZINC000602909134 519967070 /nfs/dbraw/zinc/96/70/70/519967070.db2.gz ZRINSONHCWAMDH-UHFFFAOYSA-N 1 2 367.478 2.717 20 30 FFEDLO COc1cc(C)c([C@H](C)NC(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1OC ZINC000602977421 520003207 /nfs/dbraw/zinc/00/32/07/520003207.db2.gz AWTLLSORQZLCOJ-ZMSDIMECSA-N 1 2 359.470 2.814 20 30 FFEDLO COc1cc(C)c([C@H](C)NC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1OC ZINC000602977421 520003211 /nfs/dbraw/zinc/00/32/11/520003211.db2.gz AWTLLSORQZLCOJ-ZMSDIMECSA-N 1 2 359.470 2.814 20 30 FFEDLO N#Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1F ZINC000603015565 520023840 /nfs/dbraw/zinc/02/38/40/520023840.db2.gz DYAVGFFJKBCNEK-UHFFFAOYSA-N 1 2 371.441 2.967 20 30 FFEDLO C[C@@H]1CN(C(=O)c2ccccc2Oc2cc[nH+]cc2)C[C@@H](C)N1CC#N ZINC000603092905 520073574 /nfs/dbraw/zinc/07/35/74/520073574.db2.gz RMTFGLQCUMMIOS-HZPDHXFCSA-N 1 2 350.422 2.932 20 30 FFEDLO C[C@@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@H](C)N1CC#N ZINC000603099017 520077279 /nfs/dbraw/zinc/07/72/79/520077279.db2.gz JLOWPRYBTAAMLL-IYBDPMFKSA-N 1 2 350.422 2.932 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000600213371 520129718 /nfs/dbraw/zinc/12/97/18/520129718.db2.gz DBCZMCUKPVGWBW-UHFFFAOYSA-N 1 2 365.389 2.990 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000600213371 520129724 /nfs/dbraw/zinc/12/97/24/520129724.db2.gz DBCZMCUKPVGWBW-UHFFFAOYSA-N 1 2 365.389 2.990 20 30 FFEDLO CCCC[C@@H](C(=O)OC)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000608991083 520175180 /nfs/dbraw/zinc/17/51/80/520175180.db2.gz IKYRRTSASZKBHW-IBGZPJMESA-N 1 2 366.465 2.960 20 30 FFEDLO COCCOCc1cc(C#N)ccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000603317595 520211714 /nfs/dbraw/zinc/21/17/14/520211714.db2.gz CUFKLWHHORXVGZ-SFHVURJKSA-N 1 2 352.438 2.807 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000592149430 520226553 /nfs/dbraw/zinc/22/65/53/520226553.db2.gz OXMWLIUEOQLBFN-IBGZPJMESA-N 1 2 373.840 2.567 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000592149430 520226565 /nfs/dbraw/zinc/22/65/65/520226565.db2.gz OXMWLIUEOQLBFN-IBGZPJMESA-N 1 2 373.840 2.567 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000592150726 520228737 /nfs/dbraw/zinc/22/87/37/520228737.db2.gz IAAYTKDSIDQRHD-OAHLLOKOSA-N 1 2 353.209 2.894 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000592150726 520228744 /nfs/dbraw/zinc/22/87/44/520228744.db2.gz IAAYTKDSIDQRHD-OAHLLOKOSA-N 1 2 353.209 2.894 20 30 FFEDLO COCc1n[nH]c(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)n1 ZINC000594967930 520234938 /nfs/dbraw/zinc/23/49/38/520234938.db2.gz AMTANDLZSCHNAQ-UHFFFAOYSA-N 1 2 363.421 2.692 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000609439094 520310669 /nfs/dbraw/zinc/31/06/69/520310669.db2.gz YKWHHUDCBAALOJ-HUUCEWRRSA-N 1 2 362.499 2.923 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000609439094 520310677 /nfs/dbraw/zinc/31/06/77/520310677.db2.gz YKWHHUDCBAALOJ-HUUCEWRRSA-N 1 2 362.499 2.923 20 30 FFEDLO COc1ccc(OC)c(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000603590443 520317923 /nfs/dbraw/zinc/31/79/23/520317923.db2.gz JIWCYAUCUJMAQN-UHFFFAOYSA-N 1 2 368.437 2.763 20 30 FFEDLO CCc1ccc([C@H](C)NC(=O)C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)cc1 ZINC000609487153 520330026 /nfs/dbraw/zinc/33/00/26/520330026.db2.gz XOUGCGHZTFVVAP-PXNSSMCTSA-N 1 2 356.514 2.592 20 30 FFEDLO CCN(C(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000609537804 520347329 /nfs/dbraw/zinc/34/73/29/520347329.db2.gz DUAGSZXAPGKJCI-PXNSSMCTSA-N 1 2 374.504 2.901 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N(C)[C@H]2CCCc3ccccc32)CC1 ZINC000609539013 520350372 /nfs/dbraw/zinc/35/03/72/520350372.db2.gz PXQXJNZDLZWEHO-LEWJYISDSA-N 1 2 368.525 2.688 20 30 FFEDLO CCc1ccc([C@H]2COCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)o1 ZINC000609926766 520483694 /nfs/dbraw/zinc/48/36/94/520483694.db2.gz XVHDMAVHLCJKFN-YLJYHZDGSA-N 1 2 370.449 2.721 20 30 FFEDLO CCc1ccc([C@H]2COCC[N@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)o1 ZINC000609926766 520483699 /nfs/dbraw/zinc/48/36/99/520483699.db2.gz XVHDMAVHLCJKFN-YLJYHZDGSA-N 1 2 370.449 2.721 20 30 FFEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000604199528 520483861 /nfs/dbraw/zinc/48/38/61/520483861.db2.gz XIQYJZPGKFWEDT-UHFFFAOYSA-N 1 2 364.453 2.619 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(O)c(F)c3)CC2)cc1 ZINC000613443261 520503429 /nfs/dbraw/zinc/50/34/29/520503429.db2.gz ODRLTFFVQMUITK-UHFFFAOYSA-N 1 2 353.397 2.751 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(O)c(F)c3)CC2)cc1 ZINC000613443261 520503443 /nfs/dbraw/zinc/50/34/43/520503443.db2.gz ODRLTFFVQMUITK-UHFFFAOYSA-N 1 2 353.397 2.751 20 30 FFEDLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000604525381 520588154 /nfs/dbraw/zinc/58/81/54/520588154.db2.gz WYAWXYFODPFXQE-UHFFFAOYSA-N 1 2 365.359 2.957 20 30 FFEDLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000604525381 520588159 /nfs/dbraw/zinc/58/81/59/520588159.db2.gz WYAWXYFODPFXQE-UHFFFAOYSA-N 1 2 365.359 2.957 20 30 FFEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2sccc2C#N)CC1 ZINC000604523685 520588498 /nfs/dbraw/zinc/58/84/98/520588498.db2.gz OEQYTFUDRCLOID-UHFFFAOYSA-N 1 2 355.463 2.895 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595610934 520592277 /nfs/dbraw/zinc/59/22/77/520592277.db2.gz DFMFFXKYYBTTJF-KRWDZBQOSA-N 1 2 371.485 2.577 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595610934 520592281 /nfs/dbraw/zinc/59/22/81/520592281.db2.gz DFMFFXKYYBTTJF-KRWDZBQOSA-N 1 2 371.485 2.577 20 30 FFEDLO CC(C)(C)CN1CCC[C@H]([NH+]2CCN(c3ccsc3C#N)CC2)C1=O ZINC000595629616 520605479 /nfs/dbraw/zinc/60/54/79/520605479.db2.gz GYXPSPJOAWEABV-INIZCTEOSA-N 1 2 360.527 2.779 20 30 FFEDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595629957 520608197 /nfs/dbraw/zinc/60/81/97/520608197.db2.gz BCDVZASBIPXNGL-HZPDHXFCSA-N 1 2 360.527 2.779 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000593052596 520711647 /nfs/dbraw/zinc/71/16/47/520711647.db2.gz KMCQFDYFJFUTOZ-ZDUSSCGKSA-N 1 2 369.296 2.876 20 30 FFEDLO CC(C)(C#N)C[C@@H](O)CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000598585831 520728217 /nfs/dbraw/zinc/72/82/17/520728217.db2.gz BHEKNLQVYWWYMU-QGZVFWFLSA-N 1 2 365.905 2.637 20 30 FFEDLO C[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccncc1 ZINC000610530362 520728439 /nfs/dbraw/zinc/72/84/39/520728439.db2.gz IHECQKJCUJRUHX-KRWDZBQOSA-N 1 2 363.465 2.584 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCOC(C4CC4)(C4CC4)C3)C2=O)cc1 ZINC000595822032 520745548 /nfs/dbraw/zinc/74/55/48/520745548.db2.gz LLIMGSYJWDRCPH-LJQANCHMSA-N 1 2 351.450 2.555 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCOC(C4CC4)(C4CC4)C3)C2=O)cc1 ZINC000595822032 520745554 /nfs/dbraw/zinc/74/55/54/520745554.db2.gz LLIMGSYJWDRCPH-LJQANCHMSA-N 1 2 351.450 2.555 20 30 FFEDLO C[C@@H]1CN(S(=O)(=O)c2ccccc2CC#N)c2cc(F)ccc2C[NH2+]1 ZINC000601341285 520749384 /nfs/dbraw/zinc/74/93/84/520749384.db2.gz ADMWBAKIBKLEQS-CYBMUJFWSA-N 1 2 359.426 2.579 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc(-c2c(F)cccc2F)s1 ZINC000593153255 520783741 /nfs/dbraw/zinc/78/37/41/520783741.db2.gz HKHCPZSHAVSWNH-MRXNPFEDSA-N 1 2 350.394 2.662 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000593154955 520785526 /nfs/dbraw/zinc/78/55/26/520785526.db2.gz QDOXJPXAOMRYLX-CQSZACIVSA-N 1 2 358.667 2.605 20 30 FFEDLO N#CC1(CS(=O)(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)CCC1 ZINC000601457490 520796440 /nfs/dbraw/zinc/79/64/40/520796440.db2.gz WGFBCDVBANWIPJ-UHFFFAOYSA-N 1 2 372.494 2.841 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2ccccc2n1Cc1ccncc1 ZINC000598836545 520868429 /nfs/dbraw/zinc/86/84/29/520868429.db2.gz MBZGLEIAKKUMHH-OAQYLSRUSA-N 1 2 361.449 2.658 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1ccc(F)cc1 ZINC000596110828 520919178 /nfs/dbraw/zinc/91/91/78/520919178.db2.gz UGISBEIJQDWLMK-WMLDXEAASA-N 1 2 355.417 2.984 20 30 FFEDLO N#Cc1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)ccn1 ZINC000610992298 520933695 /nfs/dbraw/zinc/93/36/95/520933695.db2.gz SNJXHTXIUJLVEF-UHFFFAOYSA-N 1 2 354.417 2.695 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000611089173 520978248 /nfs/dbraw/zinc/97/82/48/520978248.db2.gz DTTTTXMLOHBUTM-MRXNPFEDSA-N 1 2 358.438 2.961 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000611089173 520978257 /nfs/dbraw/zinc/97/82/57/520978257.db2.gz DTTTTXMLOHBUTM-MRXNPFEDSA-N 1 2 358.438 2.961 20 30 FFEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1)c1cc2ccccc2o1 ZINC000611175402 521023266 /nfs/dbraw/zinc/02/32/66/521023266.db2.gz BPNJMQJEXRAZCX-CVEARBPZSA-N 1 2 354.454 2.530 20 30 FFEDLO CCN(C(=O)C[NH+]1CCN(CCC#N)CC1)c1cccc2ccccc21 ZINC000611174812 521023914 /nfs/dbraw/zinc/02/39/14/521023914.db2.gz QLMAQXVTQGGUKU-UHFFFAOYSA-N 1 2 350.466 2.724 20 30 FFEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1)c1ccc2ccccc2c1 ZINC000611174132 521024245 /nfs/dbraw/zinc/02/42/45/521024245.db2.gz DXVVGDZSDNCNAI-QZTJIDSGSA-N 1 2 364.493 2.937 20 30 FFEDLO CN1CCCC[C@H]([N@H+](C)Cc2cc(C#N)ccc2Br)C1=O ZINC000601968296 521047220 /nfs/dbraw/zinc/04/72/20/521047220.db2.gz DSYPNMLQOBJETK-HNNXBMFYSA-N 1 2 350.260 2.763 20 30 FFEDLO CN1CCCC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2Br)C1=O ZINC000601968296 521047225 /nfs/dbraw/zinc/04/72/25/521047225.db2.gz DSYPNMLQOBJETK-HNNXBMFYSA-N 1 2 350.260 2.763 20 30 FFEDLO C=CCOCCCNC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000618527042 521106900 /nfs/dbraw/zinc/10/69/00/521106900.db2.gz ZMUSDDJJUVTUFO-UHFFFAOYSA-N 1 2 369.465 2.866 20 30 FFEDLO CN(C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)[C@@H]1CCC[C@@H]1C#N ZINC000602067234 521119843 /nfs/dbraw/zinc/11/98/43/521119843.db2.gz LROWWUJWSINPFY-CZUORRHYSA-N 1 2 365.437 2.540 20 30 FFEDLO N#Cc1ccc2c(c1)CC[C@H]2Nc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000618622398 521149165 /nfs/dbraw/zinc/14/91/65/521149165.db2.gz PEZOMEBHHDGOIT-MRXNPFEDSA-N 1 2 354.377 2.577 20 30 FFEDLO CSc1ccc(CN(C)C(=O)C[NH+]2CCN([C@H](C#N)C(C)C)CC2)cc1 ZINC000611432072 521152725 /nfs/dbraw/zinc/15/27/25/521152725.db2.gz NTPRMVODOMGAGC-LJQANCHMSA-N 1 2 374.554 2.533 20 30 FFEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000614925339 521197514 /nfs/dbraw/zinc/19/75/14/521197514.db2.gz YOTIZKOHCOJZJJ-MRXNPFEDSA-N 1 2 361.408 2.715 20 30 FFEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000614925339 521197520 /nfs/dbraw/zinc/19/75/20/521197520.db2.gz YOTIZKOHCOJZJJ-MRXNPFEDSA-N 1 2 361.408 2.715 20 30 FFEDLO C[C@@H]1C[NH+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H](C)C1(F)F ZINC000599512600 521270206 /nfs/dbraw/zinc/27/02/06/521270206.db2.gz LFRSUZLCSZRRFB-ZIAGYGMSSA-N 1 2 373.407 2.906 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1oc2ccccc2c1Br ZINC000602333170 521285799 /nfs/dbraw/zinc/28/57/99/521285799.db2.gz MKLWPMBLIYSNOA-HNNXBMFYSA-N 1 2 350.216 2.769 20 30 FFEDLO N#Cc1cnccc1CN(CC[NH+]1CCOCC1)c1ccccc1Cl ZINC000599612543 521332896 /nfs/dbraw/zinc/33/28/96/521332896.db2.gz INEBERSRZQKPRO-UHFFFAOYSA-N 1 2 356.857 2.945 20 30 FFEDLO Cn1c2cc(C[NH+]3CCN([C@H](C#N)c4ccccc4)CC3)ccc2oc1=O ZINC000602425733 521338017 /nfs/dbraw/zinc/33/80/17/521338017.db2.gz URZOTWHRVNCBJU-LJQANCHMSA-N 1 2 362.433 2.514 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599631914 521345645 /nfs/dbraw/zinc/34/56/45/521345645.db2.gz GHAJFEVQLQIPBZ-IYPVNNRCSA-N 1 2 364.536 2.889 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599631914 521345650 /nfs/dbraw/zinc/34/56/50/521345650.db2.gz GHAJFEVQLQIPBZ-IYPVNNRCSA-N 1 2 364.536 2.889 20 30 FFEDLO N#Cc1cccc(C[NH+]2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)n1 ZINC000602449703 521354202 /nfs/dbraw/zinc/35/42/02/521354202.db2.gz GRPFLYJWQCZHOB-UHFFFAOYSA-N 1 2 366.856 2.572 20 30 FFEDLO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000599677557 521391975 /nfs/dbraw/zinc/39/19/75/521391975.db2.gz LZKDLYRMHCGHCM-UHFFFAOYSA-N 1 2 362.433 2.708 20 30 FFEDLO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000599677557 521391985 /nfs/dbraw/zinc/39/19/85/521391985.db2.gz LZKDLYRMHCGHCM-UHFFFAOYSA-N 1 2 362.433 2.708 20 30 FFEDLO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)Cc2ccccc21 ZINC000599680797 521394576 /nfs/dbraw/zinc/39/45/76/521394576.db2.gz RSWRFMKHQRBQMC-AUUYWEPGSA-N 1 2 363.417 2.658 20 30 FFEDLO COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)Cc2ccccc21 ZINC000599680797 521394582 /nfs/dbraw/zinc/39/45/82/521394582.db2.gz RSWRFMKHQRBQMC-AUUYWEPGSA-N 1 2 363.417 2.658 20 30 FFEDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000599692419 521405661 /nfs/dbraw/zinc/40/56/61/521405661.db2.gz WJEMVOVOVQVUND-OAHLLOKOSA-N 1 2 350.260 2.811 20 30 FFEDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000599692419 521405670 /nfs/dbraw/zinc/40/56/70/521405670.db2.gz WJEMVOVOVQVUND-OAHLLOKOSA-N 1 2 350.260 2.811 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C(F)F)nc3)CC2)cc1 ZINC000594212077 521478036 /nfs/dbraw/zinc/47/80/36/521478036.db2.gz RVVPPLJCXMZLDN-UHFFFAOYSA-N 1 2 356.376 2.849 20 30 FFEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000612161944 521513321 /nfs/dbraw/zinc/51/33/21/521513321.db2.gz HKNMHUZVPFQTEW-INIZCTEOSA-N 1 2 361.243 2.583 20 30 FFEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000612161944 521513333 /nfs/dbraw/zinc/51/33/33/521513333.db2.gz HKNMHUZVPFQTEW-INIZCTEOSA-N 1 2 361.243 2.583 20 30 FFEDLO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612165375 521515012 /nfs/dbraw/zinc/51/50/12/521515012.db2.gz KTYYUIPKZSSWGR-QIJDIUJXSA-N 1 2 372.513 2.795 20 30 FFEDLO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612165375 521515020 /nfs/dbraw/zinc/51/50/20/521515020.db2.gz KTYYUIPKZSSWGR-QIJDIUJXSA-N 1 2 372.513 2.795 20 30 FFEDLO N#CCC1(C[N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000602770195 521522866 /nfs/dbraw/zinc/52/28/66/521522866.db2.gz OIUNXULMYNHERP-UHFFFAOYSA-N 1 2 373.931 2.792 20 30 FFEDLO N#CCC1(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000602770195 521522872 /nfs/dbraw/zinc/52/28/72/521522872.db2.gz OIUNXULMYNHERP-UHFFFAOYSA-N 1 2 373.931 2.792 20 30 FFEDLO Cc1cn2ccc(NC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)cc2[nH+]1 ZINC000597129809 521527519 /nfs/dbraw/zinc/52/75/19/521527519.db2.gz PGOCOEFMVCQFOU-INIZCTEOSA-N 1 2 362.393 2.595 20 30 FFEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCCO1 ZINC000594281144 521533050 /nfs/dbraw/zinc/53/30/50/521533050.db2.gz BZTHMLNPJZEBCE-VQTJNVASSA-N 1 2 370.497 2.733 20 30 FFEDLO C=C(C)COc1cc(C[N@H+]2CCC[C@]2(COC)C(=O)OC)ccc1OC ZINC000597222674 521582656 /nfs/dbraw/zinc/58/26/56/521582656.db2.gz XQHJXCAVQJDDBK-FQEVSTJZSA-N 1 2 363.454 2.804 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+]2CCC[C@]2(COC)C(=O)OC)ccc1OC ZINC000597222674 521582664 /nfs/dbraw/zinc/58/26/64/521582664.db2.gz XQHJXCAVQJDDBK-FQEVSTJZSA-N 1 2 363.454 2.804 20 30 FFEDLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000616133089 521627677 /nfs/dbraw/zinc/62/76/77/521627677.db2.gz XLBVLOFZDNBZCT-INIZCTEOSA-N 1 2 366.440 2.524 20 30 FFEDLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000616133089 521627681 /nfs/dbraw/zinc/62/76/81/521627681.db2.gz XLBVLOFZDNBZCT-INIZCTEOSA-N 1 2 366.440 2.524 20 30 FFEDLO C=CC(C)(C)CCNC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000624469943 522709189 /nfs/dbraw/zinc/70/91/89/522709189.db2.gz GJMRYRPYDMLEAO-UHFFFAOYSA-N 1 2 373.497 2.887 20 30 FFEDLO C=CCCCCCN(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000624942539 523046298 /nfs/dbraw/zinc/04/62/98/523046298.db2.gz WHRBAVVGCJXVFA-LJQANCHMSA-N 1 2 360.502 2.670 20 30 FFEDLO C=CCCCCCN(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000624942539 523046305 /nfs/dbraw/zinc/04/63/05/523046305.db2.gz WHRBAVVGCJXVFA-LJQANCHMSA-N 1 2 360.502 2.670 20 30 FFEDLO C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000625628242 523580605 /nfs/dbraw/zinc/58/06/05/523580605.db2.gz KLKCABKJXBHLPC-INIZCTEOSA-N 1 2 372.513 2.644 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)c1nnc(C)c(C)c1C#N ZINC000275552662 527502741 /nfs/dbraw/zinc/50/27/41/527502741.db2.gz VNNKDGGVEDOVJJ-GJZGRUSLSA-N 1 2 374.489 2.779 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)c1nnc(C)c(C)c1C#N ZINC000275552662 527502744 /nfs/dbraw/zinc/50/27/44/527502744.db2.gz VNNKDGGVEDOVJJ-GJZGRUSLSA-N 1 2 374.489 2.779 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1C#N ZINC000526256128 562268094 /nfs/dbraw/zinc/26/80/94/562268094.db2.gz JWWSNLDIOLMLEV-UHFFFAOYSA-N 1 2 370.413 2.717 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H](C)CSCc2ccccc2)c1C#N ZINC000536306362 562574166 /nfs/dbraw/zinc/57/41/66/562574166.db2.gz NYCDOZPOGAMNJK-CQSZACIVSA-N 1 2 371.510 2.941 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](Cc3ccccc3)C(=O)[O-])CC2)cc1 ZINC000821329946 598197618 /nfs/dbraw/zinc/19/76/18/598197618.db2.gz OZNMTPHAVSJSFI-OAQYLSRUSA-N 1 2 363.461 2.808 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC000736300524 600597669 /nfs/dbraw/zinc/59/76/69/600597669.db2.gz ZZINHJWEMMJQJE-MAUKXSAKSA-N 1 2 352.438 2.783 20 30 FFEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824633054 608459544 /nfs/dbraw/zinc/45/95/44/608459544.db2.gz GXNIARYSUNMBPT-GFCCVEGCSA-N 1 2 372.392 2.639 20 30 FFEDLO Cc1cc(Br)cn2cc(CCNc3cc(C#N)ncn3)[nH+]c12 ZINC000617967259 676314290 /nfs/dbraw/zinc/31/42/90/676314290.db2.gz VLWRSJRVQYXQIF-UHFFFAOYSA-N 1 2 357.215 2.722 20 30 FFEDLO COCC[N@H+](CCC(=O)OC(C)(C)C)Cc1cc(C#N)cnc1Cl ZINC000898173959 735322059 /nfs/dbraw/zinc/32/20/59/735322059.db2.gz WLAVYSZQCDRHSR-UHFFFAOYSA-N 1 2 353.850 2.787 20 30 FFEDLO COCC[N@@H+](CCC(=O)OC(C)(C)C)Cc1cc(C#N)cnc1Cl ZINC000898173959 735322063 /nfs/dbraw/zinc/32/20/63/735322063.db2.gz WLAVYSZQCDRHSR-UHFFFAOYSA-N 1 2 353.850 2.787 20 30 FFEDLO CCc1noc(C)c1CO[NH+]=C(N)c1ccc(OC(F)F)c(OC)c1 ZINC000122569331 728649086 /nfs/dbraw/zinc/64/90/86/728649086.db2.gz MWWXSLRYRKIQIK-UHFFFAOYSA-N 1 2 355.341 2.993 20 30 FFEDLO N#Cc1cc(F)c(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC000123999537 728665593 /nfs/dbraw/zinc/66/55/93/728665593.db2.gz NYAUHKXXVFKXBI-UHFFFAOYSA-N 1 2 361.329 2.790 20 30 FFEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](C)CC2CCOCC2)c1=S ZINC000124747097 728673887 /nfs/dbraw/zinc/67/38/87/728673887.db2.gz AILQRPBMRWHPLR-UHFFFAOYSA-N 1 2 359.499 2.978 20 30 FFEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)CC2CCOCC2)c1=S ZINC000124747097 728673888 /nfs/dbraw/zinc/67/38/88/728673888.db2.gz AILQRPBMRWHPLR-UHFFFAOYSA-N 1 2 359.499 2.978 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000172674038 729030866 /nfs/dbraw/zinc/03/08/66/729030866.db2.gz GZHZGEXJXIKMHQ-UHFFFAOYSA-N 1 2 352.419 2.531 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)C2(O)CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000330048185 729799625 /nfs/dbraw/zinc/79/96/25/729799625.db2.gz IHJPLQTWCJLYEX-LSDHHAIUSA-N 1 2 356.825 2.722 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)C2(O)CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000330048185 729799629 /nfs/dbraw/zinc/79/96/29/729799629.db2.gz IHJPLQTWCJLYEX-LSDHHAIUSA-N 1 2 356.825 2.722 20 30 FFEDLO O[C@@H]1C[C@H]2C[N@H+](CC#Cc3cccc(Cl)c3)Cc3cccnc3N2C1 ZINC000856554230 730345930 /nfs/dbraw/zinc/34/59/30/730345930.db2.gz IBYPFCFMOSODBG-RBUKOAKNSA-N 1 2 353.853 2.542 20 30 FFEDLO O[C@@H]1C[C@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)Cc3cccnc3N2C1 ZINC000856554230 730345932 /nfs/dbraw/zinc/34/59/32/730345932.db2.gz IBYPFCFMOSODBG-RBUKOAKNSA-N 1 2 353.853 2.542 20 30 FFEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCCc1c[nH+]cn1C ZINC000869581690 731415499 /nfs/dbraw/zinc/41/54/99/731415499.db2.gz XXVDMGXOZMZUTR-ZDUSSCGKSA-N 1 2 357.838 2.542 20 30 FFEDLO C[C@@H](c1nccs1)N1CC[NH+](Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000877381037 732355359 /nfs/dbraw/zinc/35/53/59/732355359.db2.gz YSGVSCSSUDFPOP-HNNXBMFYSA-N 1 2 355.511 2.960 20 30 FFEDLO C#CCC1(O)CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000878011101 732467175 /nfs/dbraw/zinc/46/71/75/732467175.db2.gz WFSPFVNIKNFSGC-UHFFFAOYSA-N 1 2 362.499 2.511 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ncccc3Br)C2)nc1 ZINC000878642145 732570729 /nfs/dbraw/zinc/57/07/29/732570729.db2.gz XBEHGODKMYCYEN-ZDUSSCGKSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ncccc3Br)C2)nc1 ZINC000878642145 732570733 /nfs/dbraw/zinc/57/07/33/732570733.db2.gz XBEHGODKMYCYEN-ZDUSSCGKSA-N 1 2 359.227 2.764 20 30 FFEDLO CCOC(=O)c1sc([C@H]2CC[N@H+](Cc3ccncc3C#N)C2)nc1C ZINC000880327110 732892035 /nfs/dbraw/zinc/89/20/35/732892035.db2.gz WJQNHLKAGNQNON-AWEZNQCLSA-N 1 2 356.451 2.884 20 30 FFEDLO CCOC(=O)c1sc([C@H]2CC[N@@H+](Cc3ccncc3C#N)C2)nc1C ZINC000880327110 732892039 /nfs/dbraw/zinc/89/20/39/732892039.db2.gz WJQNHLKAGNQNON-AWEZNQCLSA-N 1 2 356.451 2.884 20 30 FFEDLO C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCS1 ZINC000927254329 738710899 /nfs/dbraw/zinc/71/08/99/738710899.db2.gz UGYRZUOBYRAHOT-MAUKXSAKSA-N 1 2 358.511 2.670 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000884076411 733476155 /nfs/dbraw/zinc/47/61/55/733476155.db2.gz CAEBJLVXLLJANY-YGRLFVJLSA-N 1 2 359.253 2.959 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(c2cccs2)CCCCC1 ZINC000884150420 733486947 /nfs/dbraw/zinc/48/69/47/733486947.db2.gz LHLLRTGETIOYGF-AWEZNQCLSA-N 1 2 350.484 2.513 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(CCC#N)cc2)C1 ZINC000885077252 733620017 /nfs/dbraw/zinc/62/00/17/733620017.db2.gz PXNFNTDRTOYWNX-LJQANCHMSA-N 1 2 355.463 2.608 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(CCC#N)cc2)C1 ZINC000885077252 733620019 /nfs/dbraw/zinc/62/00/19/733620019.db2.gz PXNFNTDRTOYWNX-LJQANCHMSA-N 1 2 355.463 2.608 20 30 FFEDLO C#CCC1(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCOCC1 ZINC000887199529 733894631 /nfs/dbraw/zinc/89/46/31/733894631.db2.gz CNQPMRYNTDEOJQ-UHFFFAOYSA-N 1 2 362.499 2.823 20 30 FFEDLO C[C@@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)[C@H](C)[NH+]1CCOCC1 ZINC000729649297 734589060 /nfs/dbraw/zinc/58/90/60/734589060.db2.gz XCKOKCOAVHSZTN-NEPJUHHUSA-N 1 2 352.891 2.607 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1OC ZINC000783733810 738830430 /nfs/dbraw/zinc/83/04/30/738830430.db2.gz JGHQEYCXJTXGOK-SUMWQHHRSA-N 1 2 368.271 2.837 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cc1OC ZINC000783733810 738830435 /nfs/dbraw/zinc/83/04/35/738830435.db2.gz JGHQEYCXJTXGOK-SUMWQHHRSA-N 1 2 368.271 2.837 20 30 FFEDLO CN=c1scc(-c2cnn(C)c2)n1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783747807 738832501 /nfs/dbraw/zinc/83/25/01/738832501.db2.gz BYSCJSLHNPGKAU-UHFFFAOYSA-N 1 2 369.479 2.610 20 30 FFEDLO C#CC[C@H]([NH2+]Cc1cn(C)nc1I)c1ccccc1 ZINC000894361238 734845517 /nfs/dbraw/zinc/84/55/17/734845517.db2.gz FUFABFRUXRLPKE-AWEZNQCLSA-N 1 2 365.218 2.879 20 30 FFEDLO N#CC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000929755559 739018181 /nfs/dbraw/zinc/01/81/81/739018181.db2.gz PEPMZVLKOPXECJ-KGLIPLIRSA-N 1 2 356.207 2.703 20 30 FFEDLO N#CC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000929755559 739018183 /nfs/dbraw/zinc/01/81/83/739018183.db2.gz PEPMZVLKOPXECJ-KGLIPLIRSA-N 1 2 356.207 2.703 20 30 FFEDLO CCN(CC)c1ccc(C=[NH+]Nc2ccc(S(N)(=O)=O)cc2)cc1F ZINC000739399978 735051000 /nfs/dbraw/zinc/05/10/00/735051000.db2.gz CMBCPZRAVPHGKO-UHFFFAOYSA-N 1 2 364.446 2.765 20 30 FFEDLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000741147127 735120418 /nfs/dbraw/zinc/12/04/18/735120418.db2.gz SPASLYPWJFLLHE-INIZCTEOSA-N 1 2 363.845 2.614 20 30 FFEDLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000741147127 735120419 /nfs/dbraw/zinc/12/04/19/735120419.db2.gz SPASLYPWJFLLHE-INIZCTEOSA-N 1 2 363.845 2.614 20 30 FFEDLO Cc1cccn2c(/C=C/C(=O)c3cccc(NS(C)(=O)=O)c3)c[nH+]c12 ZINC000741469038 735144721 /nfs/dbraw/zinc/14/47/21/735144721.db2.gz ZQWYXCDXEVEDSH-CMDGGOBGSA-N 1 2 355.419 2.910 20 30 FFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2nc(C#N)cs2)CC1 ZINC000897282502 735214917 /nfs/dbraw/zinc/21/49/17/735214917.db2.gz MNASGHSVBOJPEJ-GFCCVEGCSA-N 1 2 361.496 2.665 20 30 FFEDLO N#CCn1c(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)nc2ccccc2c1=O ZINC000752358793 735979746 /nfs/dbraw/zinc/97/97/46/735979746.db2.gz IGHMCXVWRTVUBD-SJORKVTESA-N 1 2 354.479 2.780 20 30 FFEDLO N#CCn1c(C[N@H+]2CCS[C@H]3CCCC[C@H]32)nc2ccccc2c1=O ZINC000752358793 735979751 /nfs/dbraw/zinc/97/97/51/735979751.db2.gz IGHMCXVWRTVUBD-SJORKVTESA-N 1 2 354.479 2.780 20 30 FFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC(C)(C)C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000790044064 739411623 /nfs/dbraw/zinc/41/16/23/739411623.db2.gz JFOHUNCAXWSFNF-CABCVRRESA-N 1 2 355.891 2.554 20 30 FFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CC(C)(C)C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000790044064 739411627 /nfs/dbraw/zinc/41/16/27/739411627.db2.gz JFOHUNCAXWSFNF-CABCVRRESA-N 1 2 355.891 2.554 20 30 FFEDLO C[C@@H]1CC(=NN2C(=S)N=NC2COc2ccc(F)cc2)C[N@@H+]1C1CC1 ZINC000753954645 736110006 /nfs/dbraw/zinc/11/00/06/736110006.db2.gz HAFQUNOCAUJVFQ-LLVKDONJSA-N 1 2 361.446 2.746 20 30 FFEDLO C[C@@H]1CC(=NN2C(=S)N=NC2COc2ccc(F)cc2)C[N@H+]1C1CC1 ZINC000753954645 736110012 /nfs/dbraw/zinc/11/00/12/736110012.db2.gz HAFQUNOCAUJVFQ-LLVKDONJSA-N 1 2 361.446 2.746 20 30 FFEDLO C=CCCn1cc(C[NH2+]Cc2cc(Br)cc(OC)c2)nn1 ZINC000922674921 738182303 /nfs/dbraw/zinc/18/23/03/738182303.db2.gz GVFFLVJZEYFMCO-UHFFFAOYSA-N 1 2 351.248 2.915 20 30 FFEDLO C#CCCCS(=O)(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000791418110 739561656 /nfs/dbraw/zinc/56/16/56/739561656.db2.gz XERQVPHPWBIPGU-UHFFFAOYSA-N 1 2 354.903 2.591 20 30 FFEDLO C#CCCCS(=O)(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000791418110 739561660 /nfs/dbraw/zinc/56/16/60/739561660.db2.gz XERQVPHPWBIPGU-UHFFFAOYSA-N 1 2 354.903 2.591 20 30 FFEDLO COc1cc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)c([N+](=O)[O-])cc1F ZINC000933648504 739666749 /nfs/dbraw/zinc/66/67/49/739666749.db2.gz NJQOHEZRXKVEAS-UHFFFAOYSA-N 1 2 350.346 2.580 20 30 FFEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933775705 739688566 /nfs/dbraw/zinc/68/85/66/739688566.db2.gz LRXZHNKIEHHNNZ-GFCCVEGCSA-N 1 2 357.435 2.850 20 30 FFEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933775705 739688568 /nfs/dbraw/zinc/68/85/68/739688568.db2.gz LRXZHNKIEHHNNZ-GFCCVEGCSA-N 1 2 357.435 2.850 20 30 FFEDLO C=C(Br)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1CC)CCO2 ZINC000949196814 740368754 /nfs/dbraw/zinc/36/87/54/740368754.db2.gz JDVYEFRQWCEERJ-HUUCEWRRSA-N 1 2 371.319 2.635 20 30 FFEDLO Cc1[nH+]c(C(C)N=Nc2ccccc2S(=O)(=O)NC(C)(C)C)cn1C ZINC000800810992 740550314 /nfs/dbraw/zinc/55/03/14/740550314.db2.gz CKFKHCPLQDDKNZ-UHFFFAOYSA-N 1 2 363.487 2.641 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2nc(C)sc2C)C1 ZINC000969692900 740737288 /nfs/dbraw/zinc/73/72/88/740737288.db2.gz QZZRGXDDLSNYSV-XZOAIXRZSA-N 1 2 363.527 2.678 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC000970572571 740752611 /nfs/dbraw/zinc/75/26/11/740752611.db2.gz WJBDVCTXRQPCKC-SKDZVZGDSA-N 1 2 363.889 2.653 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC000972513756 740832845 /nfs/dbraw/zinc/83/28/45/740832845.db2.gz MUUFSFUGLNADLW-BZSNNMDCSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2csc(C)n2)C1 ZINC000972513756 740832852 /nfs/dbraw/zinc/83/28/52/740832852.db2.gz MUUFSFUGLNADLW-BZSNNMDCSA-N 1 2 363.527 2.856 20 30 FFEDLO C#CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000805054985 740932406 /nfs/dbraw/zinc/93/24/06/740932406.db2.gz PJOWGRHLHCYPDV-IAGOWNOFSA-N 1 2 372.893 2.947 20 30 FFEDLO C#CCCCS(=O)(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000805054985 740932408 /nfs/dbraw/zinc/93/24/08/740932408.db2.gz PJOWGRHLHCYPDV-IAGOWNOFSA-N 1 2 372.893 2.947 20 30 FFEDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000805827072 741015211 /nfs/dbraw/zinc/01/52/11/741015211.db2.gz FQOVYDSUPRNLQB-OAHLLOKOSA-N 1 2 351.834 2.953 20 30 FFEDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000805827072 741015216 /nfs/dbraw/zinc/01/52/16/741015216.db2.gz FQOVYDSUPRNLQB-OAHLLOKOSA-N 1 2 351.834 2.953 20 30 FFEDLO C#CCC(CC#C)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000806309961 741051695 /nfs/dbraw/zinc/05/16/95/741051695.db2.gz NQGGWWOKDGXFEW-UHFFFAOYSA-N 1 2 358.869 2.526 20 30 FFEDLO CC1=C(C(=O)C=Cc2cc(-n3cc[nH+]c3)cs2)[C@H](C)N2NN=NC2=N1 ZINC000806560923 741069063 /nfs/dbraw/zinc/06/90/63/741069063.db2.gz RSQXDWYGQMAMEZ-BYCRGOAPSA-N 1 2 353.411 2.736 20 30 FFEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCC(O)(c3scnc3Br)CC2)C1 ZINC000815105106 741901698 /nfs/dbraw/zinc/90/16/98/741901698.db2.gz CUGDJAWOENVOBX-GHMZBOCLSA-N 1 2 356.289 2.881 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001015722162 742478794 /nfs/dbraw/zinc/47/87/94/742478794.db2.gz VCSWFYNIZMQVTB-CPUCHLNUSA-N 1 2 352.837 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001015722162 742478796 /nfs/dbraw/zinc/47/87/96/742478796.db2.gz VCSWFYNIZMQVTB-CPUCHLNUSA-N 1 2 352.837 2.761 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001015827673 742484146 /nfs/dbraw/zinc/48/41/46/742484146.db2.gz VANFKBFCPALBEJ-RYRKJORJSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001015827673 742484150 /nfs/dbraw/zinc/48/41/50/742484150.db2.gz VANFKBFCPALBEJ-RYRKJORJSA-N 1 2 350.409 2.637 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC([C@H](O)C[N@H+](CC#N)C2CCCC2)CC1 ZINC000822633830 742762281 /nfs/dbraw/zinc/76/22/81/742762281.db2.gz CDKLKAJMNZRQGE-QGZVFWFLSA-N 1 2 351.491 2.763 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC([C@H](O)C[N@@H+](CC#N)C2CCCC2)CC1 ZINC000822633830 742762283 /nfs/dbraw/zinc/76/22/83/742762283.db2.gz CDKLKAJMNZRQGE-QGZVFWFLSA-N 1 2 351.491 2.763 20 30 FFEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001027489595 742771429 /nfs/dbraw/zinc/77/14/29/742771429.db2.gz WFTVTKLUYUTKCX-INMHGKMJSA-N 1 2 371.319 2.777 20 30 FFEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001027489595 742771432 /nfs/dbraw/zinc/77/14/32/742771432.db2.gz WFTVTKLUYUTKCX-INMHGKMJSA-N 1 2 371.319 2.777 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1csc(CCC)n1 ZINC001028144800 742786425 /nfs/dbraw/zinc/78/64/25/742786425.db2.gz KVTBWRIHKSNNLN-BBWFWOEESA-N 1 2 363.527 2.767 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1csc(CCC)n1 ZINC001028144800 742786428 /nfs/dbraw/zinc/78/64/28/742786428.db2.gz KVTBWRIHKSNNLN-BBWFWOEESA-N 1 2 363.527 2.767 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](Cc2ccc(C(F)F)cc2)C1 ZINC001031088297 742839855 /nfs/dbraw/zinc/83/98/55/742839855.db2.gz QQLCMJKAIDKHNW-IRXDYDNUSA-N 1 2 350.409 2.906 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001033086257 742869139 /nfs/dbraw/zinc/86/91/39/742869139.db2.gz FMMISLNQYKWHQM-JZXOWHBKSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001033086257 742869146 /nfs/dbraw/zinc/86/91/46/742869146.db2.gz FMMISLNQYKWHQM-JZXOWHBKSA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001033433356 742887480 /nfs/dbraw/zinc/88/74/80/742887480.db2.gz VINBMMBWFDQWEK-IYOUNJFTSA-N 1 2 350.409 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001033433356 742887489 /nfs/dbraw/zinc/88/74/89/742887489.db2.gz VINBMMBWFDQWEK-IYOUNJFTSA-N 1 2 350.409 2.589 20 30 FFEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001035485267 742951930 /nfs/dbraw/zinc/95/19/30/742951930.db2.gz WSWSJDHETBBTFO-MGPQQGTHSA-N 1 2 354.903 2.898 20 30 FFEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001035485267 742951935 /nfs/dbraw/zinc/95/19/35/742951935.db2.gz WSWSJDHETBBTFO-MGPQQGTHSA-N 1 2 354.903 2.898 20 30 FFEDLO C=CC[N@@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000824606442 743115299 /nfs/dbraw/zinc/11/52/99/743115299.db2.gz UEQIWKBRINETCZ-OAHLLOKOSA-N 1 2 367.511 2.873 20 30 FFEDLO C=CC[N@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000824606442 743115304 /nfs/dbraw/zinc/11/53/04/743115304.db2.gz UEQIWKBRINETCZ-OAHLLOKOSA-N 1 2 367.511 2.873 20 30 FFEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC001045507916 743282794 /nfs/dbraw/zinc/28/27/94/743282794.db2.gz CZHGXMRPXVHTEI-CABCVRRESA-N 1 2 371.319 2.681 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001046958329 743342619 /nfs/dbraw/zinc/34/26/19/743342619.db2.gz XMZQTIWUTKPGAD-LZWOXQAQSA-N 1 2 362.848 2.772 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001046958329 743342628 /nfs/dbraw/zinc/34/26/28/743342628.db2.gz XMZQTIWUTKPGAD-LZWOXQAQSA-N 1 2 362.848 2.772 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCO[C@H]1CC ZINC001049609205 743475959 /nfs/dbraw/zinc/47/59/59/743475959.db2.gz GHILYIDJOQNWBJ-UGUYLWEFSA-N 1 2 371.319 2.775 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCO[C@H]1CC ZINC001049609205 743475963 /nfs/dbraw/zinc/47/59/63/743475963.db2.gz GHILYIDJOQNWBJ-UGUYLWEFSA-N 1 2 371.319 2.775 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2C/C(Cl)=C/Cl ZINC001049731529 743481946 /nfs/dbraw/zinc/48/19/46/743481946.db2.gz BGQRXJRJFWCUIO-NJYDQGQWSA-N 1 2 359.297 2.962 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C/C(Cl)=C/Cl ZINC001049731529 743481950 /nfs/dbraw/zinc/48/19/50/743481950.db2.gz BGQRXJRJFWCUIO-NJYDQGQWSA-N 1 2 359.297 2.962 20 30 FFEDLO C#C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(Br)cc1 ZINC000833230304 745779467 /nfs/dbraw/zinc/77/94/67/745779467.db2.gz BJVOQDVSSSNHSH-XJKSGUPXSA-N 1 2 358.239 2.699 20 30 FFEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCCOC(F)(F)C(F)(F)F ZINC000834442367 745838893 /nfs/dbraw/zinc/83/88/93/745838893.db2.gz DKMJQWMCSVTXSF-ZETCQYMHSA-N 1 2 369.212 2.665 20 30 FFEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCCOC(F)(F)C(F)(F)F ZINC000834442366 745839039 /nfs/dbraw/zinc/83/90/39/745839039.db2.gz DKMJQWMCSVTXSF-SSDOTTSWSA-N 1 2 369.212 2.665 20 30 FFEDLO COc1cc(C=NOCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc(Cl)c1OC ZINC000842018221 747501868 /nfs/dbraw/zinc/50/18/68/747501868.db2.gz QXEYQQFVKJZFND-OKILXGFUSA-N 1 2 354.834 2.571 20 30 FFEDLO COc1cc(C=NOCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc(Cl)c1OC ZINC000842018221 747501876 /nfs/dbraw/zinc/50/18/76/747501876.db2.gz QXEYQQFVKJZFND-OKILXGFUSA-N 1 2 354.834 2.571 20 30 FFEDLO Cc1nc(NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)c2cccc(C#N)c2)sc1C ZINC000844365491 748014040 /nfs/dbraw/zinc/01/40/40/748014040.db2.gz GIVWFMFPVVWMBC-WBMJQRKESA-N 1 2 358.467 2.624 20 30 FFEDLO Cc1nc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)sc1C ZINC000844365491 748014046 /nfs/dbraw/zinc/01/40/46/748014046.db2.gz GIVWFMFPVVWMBC-WBMJQRKESA-N 1 2 358.467 2.624 20 30 FFEDLO C[C@H](CC(=O)O[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)n1cc[nH+]c1 ZINC000845278912 748218186 /nfs/dbraw/zinc/21/81/86/748218186.db2.gz XJNOQIIKMOEBTG-VXGBXAGGSA-N 1 2 360.801 2.930 20 30 FFEDLO CC[C@H](C#N)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000845996997 748378604 /nfs/dbraw/zinc/37/86/04/748378604.db2.gz JCYQXUNPGVWTJW-GFCCVEGCSA-N 1 2 365.275 2.689 20 30 FFEDLO Cc1[nH+]cc(C=NN2C(=S)N=NC2COc2cc(C)cc(C)c2)n1C ZINC000853283879 750043035 /nfs/dbraw/zinc/04/30/35/750043035.db2.gz GQDNEMCITJSCFU-UHFFFAOYSA-N 1 2 356.455 2.687 20 30 FFEDLO C[C@]1(c2cccc(Cl)c2)NC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853526799 750083497 /nfs/dbraw/zinc/08/34/97/750083497.db2.gz ZFKXDJJYRSRPHL-FZKQIMNGSA-N 1 2 360.845 2.690 20 30 FFEDLO C[C@]1(c2cccc(Cl)c2)NC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853526799 750083504 /nfs/dbraw/zinc/08/35/04/750083504.db2.gz ZFKXDJJYRSRPHL-FZKQIMNGSA-N 1 2 360.845 2.690 20 30 FFEDLO N#Cc1ccc(N[C@H]2CCCN(c3cc(N4CCCCC4)[nH+]cn3)C2)nc1 ZINC000895844512 970992311 /nfs/dbraw/zinc/99/23/11/970992311.db2.gz HICOKMIZXURKNV-KRWDZBQOSA-N 1 2 363.469 2.814 20 30 FFEDLO N#Cc1ccc(N[C@H]2CCCN(c3cc(N4CCCCC4)nc[nH+]3)C2)nc1 ZINC000895844512 970992318 /nfs/dbraw/zinc/99/23/18/970992318.db2.gz HICOKMIZXURKNV-KRWDZBQOSA-N 1 2 363.469 2.814 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Oc3cccc(F)c3)[C@@H]2C1 ZINC001075825980 971051219 /nfs/dbraw/zinc/05/12/19/971051219.db2.gz KIGNYHDKZOCDRO-JKIFEVAISA-N 1 2 352.837 2.878 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Oc3cccc(F)c3)[C@@H]2C1 ZINC001075825980 971051231 /nfs/dbraw/zinc/05/12/31/971051231.db2.gz KIGNYHDKZOCDRO-JKIFEVAISA-N 1 2 352.837 2.878 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)CC[C@@H]2C1 ZINC001087912521 971092401 /nfs/dbraw/zinc/09/24/01/971092401.db2.gz UAHPKLBOTZMVJP-WBVHZDCISA-N 1 2 371.456 2.593 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)CC[C@@H]2C1 ZINC001087912521 971092405 /nfs/dbraw/zinc/09/24/05/971092405.db2.gz UAHPKLBOTZMVJP-WBVHZDCISA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2[C@@H]4CCC[C@@H]42)C3)c1 ZINC001095279567 1013063031 /nfs/dbraw/zinc/06/30/31/1013063031.db2.gz YJBHAACKXPWZQE-ZBSOERELSA-N 1 2 353.441 2.965 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2[C@@H]4CCC[C@@H]42)C3)c1 ZINC001095279567 1013063047 /nfs/dbraw/zinc/06/30/47/1013063047.db2.gz YJBHAACKXPWZQE-ZBSOERELSA-N 1 2 353.441 2.965 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3ccnc3CC)C[C@@H]2C1 ZINC001087971870 971409996 /nfs/dbraw/zinc/40/99/96/971409996.db2.gz XPZBPRKRVRQQDW-ZACQAIPSSA-N 1 2 364.921 2.929 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3ccnc3CC)C[C@@H]2C1 ZINC001087971870 971410003 /nfs/dbraw/zinc/41/00/03/971410003.db2.gz XPZBPRKRVRQQDW-ZACQAIPSSA-N 1 2 364.921 2.929 20 30 FFEDLO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(OC)c1OC ZINC000871919314 1013113977 /nfs/dbraw/zinc/11/39/77/1013113977.db2.gz KYIDUMQCUJNTPT-SJLPKXTDSA-N 1 2 353.422 2.843 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](OC)c1ccc(F)cc1)C2 ZINC001111482619 971962776 /nfs/dbraw/zinc/96/27/76/971962776.db2.gz QDVPCBHSLCZSCT-WCXIOVBPSA-N 1 2 352.837 2.987 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](OC)c1ccc(F)cc1)C2 ZINC001111482619 971962782 /nfs/dbraw/zinc/96/27/82/971962782.db2.gz QDVPCBHSLCZSCT-WCXIOVBPSA-N 1 2 352.837 2.987 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C(C)(C)C)[nH]3)CC[C@@H]2C1 ZINC001088067223 972070746 /nfs/dbraw/zinc/07/07/46/972070746.db2.gz UEWKBVPYTMUQLB-CABCVRRESA-N 1 2 359.518 2.595 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C(C)(C)C)[nH]3)CC[C@@H]2C1 ZINC001088067223 972070754 /nfs/dbraw/zinc/07/07/54/972070754.db2.gz UEWKBVPYTMUQLB-CABCVRRESA-N 1 2 359.518 2.595 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(F)cc2F)C1 ZINC000969684849 959759979 /nfs/dbraw/zinc/75/99/79/959759979.db2.gz PNEVRUQYMHOHQG-IRWQIABSSA-N 1 2 364.436 2.883 20 30 FFEDLO CC(C)(C)n1ncc(C#N)c1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174430220 1013202835 /nfs/dbraw/zinc/20/28/35/1013202835.db2.gz SCYBDWMUNBGBCN-UHFFFAOYSA-N 1 2 369.469 2.964 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccnc(Cl)c1F ZINC001275952672 1013222410 /nfs/dbraw/zinc/22/24/10/1013222410.db2.gz ZMHFFOMFCTYBDY-ZIAGYGMSSA-N 1 2 350.825 2.743 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccnc(Cl)c1F ZINC001275952672 1013222417 /nfs/dbraw/zinc/22/24/17/1013222417.db2.gz ZMHFFOMFCTYBDY-ZIAGYGMSSA-N 1 2 350.825 2.743 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)cs1 ZINC001095915113 1013259490 /nfs/dbraw/zinc/25/94/90/1013259490.db2.gz WPFHBJIBSXKJRG-HFTRVMKXSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)cs1 ZINC001095915113 1013259497 /nfs/dbraw/zinc/25/94/97/1013259497.db2.gz WPFHBJIBSXKJRG-HFTRVMKXSA-N 1 2 370.453 2.998 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2nc(C)c(C)o2)C1 ZINC000970558437 961694802 /nfs/dbraw/zinc/69/48/02/961694802.db2.gz CYDIRRNIYNZPKV-FNHZYXHNSA-N 1 2 361.486 2.599 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2nc(C)oc2C)C1 ZINC000970561512 961699482 /nfs/dbraw/zinc/69/94/82/961699482.db2.gz YFIGGXVGWPODQQ-FMEYXAORSA-N 1 2 361.486 2.599 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC(C)C)C2 ZINC001110174148 1013309148 /nfs/dbraw/zinc/30/91/48/1013309148.db2.gz OIQWODOAPLVCBO-HOJAQTOUSA-N 1 2 369.509 2.522 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC(C)C)C2 ZINC001110174148 1013309153 /nfs/dbraw/zinc/30/91/53/1013309153.db2.gz OIQWODOAPLVCBO-HOJAQTOUSA-N 1 2 369.509 2.522 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCCCC)CCCCC1 ZINC001110177224 1013359213 /nfs/dbraw/zinc/35/92/13/1013359213.db2.gz HEXKSPAENGPLER-QYZOEREBSA-N 1 2 373.541 2.598 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCCCC)CCCCC1 ZINC001110177224 1013359221 /nfs/dbraw/zinc/35/92/21/1013359221.db2.gz HEXKSPAENGPLER-QYZOEREBSA-N 1 2 373.541 2.598 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(O)ccc1Cl ZINC001110181312 1013404409 /nfs/dbraw/zinc/40/44/09/1013404409.db2.gz CHEYSMDFIYFBTJ-JLSDUUJJSA-N 1 2 364.873 2.860 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(O)ccc1Cl ZINC001110181312 1013404416 /nfs/dbraw/zinc/40/44/16/1013404416.db2.gz CHEYSMDFIYFBTJ-JLSDUUJJSA-N 1 2 364.873 2.860 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc2c1OC(F)(F)O2 ZINC001276081344 1013415657 /nfs/dbraw/zinc/41/56/57/1013415657.db2.gz IIGHREDHEJIDAP-SFHVURJKSA-N 1 2 362.376 2.598 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc2c1OC(F)(F)O2 ZINC001276081344 1013415662 /nfs/dbraw/zinc/41/56/62/1013415662.db2.gz IIGHREDHEJIDAP-SFHVURJKSA-N 1 2 362.376 2.598 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2[nH]nc(C)c2C)C1 ZINC001075419896 963828522 /nfs/dbraw/zinc/82/85/22/963828522.db2.gz COQKIOJHMXYUAW-IEBWSBKVSA-N 1 2 368.456 2.634 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2[nH]nc(C)c2C)C1 ZINC001075419896 963828527 /nfs/dbraw/zinc/82/85/27/963828527.db2.gz COQKIOJHMXYUAW-IEBWSBKVSA-N 1 2 368.456 2.634 20 30 FFEDLO CNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Br)ccc1C#N)CC2 ZINC001276121855 1013484469 /nfs/dbraw/zinc/48/44/69/1013484469.db2.gz VRGNITODMSYLHA-HNNXBMFYSA-N 1 2 362.271 2.669 20 30 FFEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000134621857 964315065 /nfs/dbraw/zinc/31/50/65/964315065.db2.gz LOIPIOLKKFVXRP-RHSMWYFYSA-N 1 2 372.469 2.874 20 30 FFEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000134621857 964315079 /nfs/dbraw/zinc/31/50/79/964315079.db2.gz LOIPIOLKKFVXRP-RHSMWYFYSA-N 1 2 372.469 2.874 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933398175 964323102 /nfs/dbraw/zinc/32/31/02/964323102.db2.gz LGQOVFHKAQUFAX-AWEZNQCLSA-N 1 2 356.401 2.693 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933398175 964323110 /nfs/dbraw/zinc/32/31/10/964323110.db2.gz LGQOVFHKAQUFAX-AWEZNQCLSA-N 1 2 356.401 2.693 20 30 FFEDLO C=CC[C@H](C)C(=O)N1CCC[C@]2(C1)C[N@H+](Cc1scnc1C)CCO2 ZINC001269959845 964497697 /nfs/dbraw/zinc/49/76/97/964497697.db2.gz KYADTRDYYLDLMP-HNAYVOBHSA-N 1 2 363.527 2.857 20 30 FFEDLO C=CC[C@H](C)C(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1scnc1C)CCO2 ZINC001269959845 964497706 /nfs/dbraw/zinc/49/77/06/964497706.db2.gz KYADTRDYYLDLMP-HNAYVOBHSA-N 1 2 363.527 2.857 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960880351 1013502788 /nfs/dbraw/zinc/50/27/88/1013502788.db2.gz BWGZXOBNAOYELT-AQNXPRMDSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960880351 1013502796 /nfs/dbraw/zinc/50/27/96/1013502796.db2.gz BWGZXOBNAOYELT-AQNXPRMDSA-N 1 2 371.456 2.711 20 30 FFEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)C3(C#N)CCSCC3)CC2)cc1 ZINC000933556142 964567297 /nfs/dbraw/zinc/56/72/97/964567297.db2.gz RZHNKLCONKSKFA-UHFFFAOYSA-N 1 2 372.538 2.875 20 30 FFEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](Cc3coc(-c4cccs4)n3)C[C@H]21 ZINC001075770777 966038859 /nfs/dbraw/zinc/03/88/59/966038859.db2.gz LNQDVVAKHSZJRV-DOTOQJQBSA-N 1 2 367.474 2.849 20 30 FFEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](Cc3coc(-c4cccs4)n3)C[C@H]21 ZINC001075770777 966038874 /nfs/dbraw/zinc/03/88/74/966038874.db2.gz LNQDVVAKHSZJRV-DOTOQJQBSA-N 1 2 367.474 2.849 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cnc(C)cn2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087491703 966092051 /nfs/dbraw/zinc/09/20/51/966092051.db2.gz LGVHUUMYKFCOMU-PKOBYXMFSA-N 1 2 367.428 2.579 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cnc(C)cn2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087491703 966092064 /nfs/dbraw/zinc/09/20/64/966092064.db2.gz LGVHUUMYKFCOMU-PKOBYXMFSA-N 1 2 367.428 2.579 20 30 FFEDLO C#C[C@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)[C@@H]1CCCO1 ZINC000773557683 1013656059 /nfs/dbraw/zinc/65/60/59/1013656059.db2.gz JMBYIJHSUYLZLR-UFYCRDLUSA-N 1 2 366.465 2.721 20 30 FFEDLO C=CCOCCNC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000685050272 967091370 /nfs/dbraw/zinc/09/13/70/967091370.db2.gz UUBCGNVCTWGAQH-QGZVFWFLSA-N 1 2 361.486 2.504 20 30 FFEDLO C=CCOCCNC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000685050272 967091380 /nfs/dbraw/zinc/09/13/80/967091380.db2.gz UUBCGNVCTWGAQH-QGZVFWFLSA-N 1 2 361.486 2.504 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C(C)(C)C)nc3C)[C@@H]2C1 ZINC001075783942 967302339 /nfs/dbraw/zinc/30/23/39/967302339.db2.gz WUNTZRJOLKOANK-GOEBONIOSA-N 1 2 350.894 2.845 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C(C)(C)C)nc3C)[C@@H]2C1 ZINC001075783942 967302345 /nfs/dbraw/zinc/30/23/45/967302345.db2.gz WUNTZRJOLKOANK-GOEBONIOSA-N 1 2 350.894 2.845 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H](C)n2cccn2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087508318 967474027 /nfs/dbraw/zinc/47/40/27/967474027.db2.gz KOICIKGOQVMAPE-ZOCIIQOWSA-N 1 2 369.444 2.624 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H](C)n2cccn2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087508318 967474031 /nfs/dbraw/zinc/47/40/31/967474031.db2.gz KOICIKGOQVMAPE-ZOCIIQOWSA-N 1 2 369.444 2.624 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029309861 967670639 /nfs/dbraw/zinc/67/06/39/967670639.db2.gz GRTIIYNSQAPXQM-LRSLUSHPSA-N 1 2 366.505 2.774 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029309861 967670649 /nfs/dbraw/zinc/67/06/49/967670649.db2.gz GRTIIYNSQAPXQM-LRSLUSHPSA-N 1 2 366.505 2.774 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](Cc2cnn(C(C)C)c2)Cc2nnn(CC3CC3)c21 ZINC001137076696 1013749820 /nfs/dbraw/zinc/74/98/20/1013749820.db2.gz OMILGRHZMGEQLR-GOSISDBHSA-N 1 2 370.501 2.768 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](Cc2cnn(C(C)C)c2)Cc2nnn(CC3CC3)c21 ZINC001137076696 1013749827 /nfs/dbraw/zinc/74/98/27/1013749827.db2.gz OMILGRHZMGEQLR-GOSISDBHSA-N 1 2 370.501 2.768 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cn(C)cn2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087541304 967976173 /nfs/dbraw/zinc/97/61/73/967976173.db2.gz LPHSDUKPFAOFBK-PKOBYXMFSA-N 1 2 370.884 2.708 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cn(C)cn2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087541304 967976181 /nfs/dbraw/zinc/97/61/81/967976181.db2.gz LPHSDUKPFAOFBK-PKOBYXMFSA-N 1 2 370.884 2.708 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1F ZINC001111482448 968167251 /nfs/dbraw/zinc/16/72/51/968167251.db2.gz KKVNEVLBSKIHEB-NXHRZFHOSA-N 1 2 350.409 2.779 20 30 FFEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1F ZINC001111482448 968167256 /nfs/dbraw/zinc/16/72/56/968167256.db2.gz KKVNEVLBSKIHEB-NXHRZFHOSA-N 1 2 350.409 2.779 20 30 FFEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)C2)C1 ZINC000972684933 968255568 /nfs/dbraw/zinc/25/55/68/968255568.db2.gz YUYGHFCDYZZXKP-RZQQEMMASA-N 1 2 362.420 2.558 20 30 FFEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)C2)C1 ZINC000972684933 968255583 /nfs/dbraw/zinc/25/55/83/968255583.db2.gz YUYGHFCDYZZXKP-RZQQEMMASA-N 1 2 362.420 2.558 20 30 FFEDLO COC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC001176861217 1013789377 /nfs/dbraw/zinc/78/93/77/1013789377.db2.gz UVBLPHGRBZJGBC-SFHVURJKSA-N 1 2 359.470 2.820 20 30 FFEDLO COC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC001176861217 1013789380 /nfs/dbraw/zinc/78/93/80/1013789380.db2.gz UVBLPHGRBZJGBC-SFHVURJKSA-N 1 2 359.470 2.820 20 30 FFEDLO CCOC(=O)[C@H]1CCCc2sc(NC(=O)CCn3cc[nH+]c3)c(C#N)c21 ZINC001176873470 1013790351 /nfs/dbraw/zinc/79/03/51/1013790351.db2.gz PHQONQSZIDRKGL-LBPRGKRZSA-N 1 2 372.450 2.828 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001087609824 968352230 /nfs/dbraw/zinc/35/22/30/968352230.db2.gz FEPMXSOVEDWXNA-WERVVEIQSA-N 1 2 362.477 2.534 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC[N@H+]1CC#Cc1ccccc1 ZINC001087609824 968352237 /nfs/dbraw/zinc/35/22/37/968352237.db2.gz FEPMXSOVEDWXNA-WERVVEIQSA-N 1 2 362.477 2.534 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C3(C)CCC3)[C@H]2CC)c1 ZINC001087689265 968606589 /nfs/dbraw/zinc/60/65/89/968606589.db2.gz SLSKRALCODJCJB-RBUKOAKNSA-N 1 2 367.493 2.766 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C3(C)CCC3)[C@H]2CC)c1 ZINC001087689265 968606595 /nfs/dbraw/zinc/60/65/95/968606595.db2.gz SLSKRALCODJCJB-RBUKOAKNSA-N 1 2 367.493 2.766 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nn(CC)nc3C)[C@@H]2CC)CC1 ZINC001087714002 968703560 /nfs/dbraw/zinc/70/35/60/968703560.db2.gz ANFFXPMJKZKKAN-PKOBYXMFSA-N 1 2 359.518 2.822 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nn(CC)nc3C)[C@@H]2CC)CC1 ZINC001087714002 968703572 /nfs/dbraw/zinc/70/35/72/968703572.db2.gz ANFFXPMJKZKKAN-PKOBYXMFSA-N 1 2 359.518 2.822 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(=O)Nc3ccc(O)cc3)[C@@H]2CC)C1 ZINC001087714644 968704370 /nfs/dbraw/zinc/70/43/70/968704370.db2.gz YODNDZZZAZEVMM-ZWKOTPCHSA-N 1 2 371.481 2.656 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(=O)Nc3ccc(O)cc3)[C@@H]2CC)C1 ZINC001087714644 968704375 /nfs/dbraw/zinc/70/43/75/968704375.db2.gz YODNDZZZAZEVMM-ZWKOTPCHSA-N 1 2 371.481 2.656 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)n3CCC)[C@@H]2CC)C1 ZINC001087714651 968705012 /nfs/dbraw/zinc/70/50/12/968705012.db2.gz YUXSWNNTIOIVDV-DLBZAZTESA-N 1 2 359.518 2.822 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)n3CCC)[C@@H]2CC)C1 ZINC001087714651 968705021 /nfs/dbraw/zinc/70/50/21/968705021.db2.gz YUXSWNNTIOIVDV-DLBZAZTESA-N 1 2 359.518 2.822 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2[nH]c(C)nc2C)[C@H]1CC ZINC001087730591 968784710 /nfs/dbraw/zinc/78/47/10/968784710.db2.gz RGPIJWUQAHLDJD-QWHCGFSZSA-N 1 2 355.280 2.518 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2[nH]c(C)nc2C)[C@H]1CC ZINC001087730591 968784716 /nfs/dbraw/zinc/78/47/16/968784716.db2.gz RGPIJWUQAHLDJD-QWHCGFSZSA-N 1 2 355.280 2.518 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2c(C)n[nH]c2C)[C@H]1CC ZINC001087764874 968966546 /nfs/dbraw/zinc/96/65/46/968966546.db2.gz NVJMKLQATIPQIT-QWHCGFSZSA-N 1 2 355.280 2.518 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2c(C)n[nH]c2C)[C@H]1CC ZINC001087764874 968966549 /nfs/dbraw/zinc/96/65/49/968966549.db2.gz NVJMKLQATIPQIT-QWHCGFSZSA-N 1 2 355.280 2.518 20 30 FFEDLO CCN(CC)C(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000177568260 969273916 /nfs/dbraw/zinc/27/39/16/969273916.db2.gz ASZLOHNCBNBWPY-UHFFFAOYSA-N 1 2 355.438 2.771 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3noc(CC)n3)C2)CCC1 ZINC001104635304 969993053 /nfs/dbraw/zinc/99/30/53/969993053.db2.gz ZWHHOUHVTJZLCK-HZPDHXFCSA-N 1 2 360.502 2.953 20 30 FFEDLO C=C1CC(C)(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000973659794 970231477 /nfs/dbraw/zinc/23/14/77/970231477.db2.gz IVQLXSZXFLWMMB-SLUKUZTOSA-N 1 2 368.481 2.508 20 30 FFEDLO C=C1CC(C)(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000973659794 970231487 /nfs/dbraw/zinc/23/14/87/970231487.db2.gz IVQLXSZXFLWMMB-SLUKUZTOSA-N 1 2 368.481 2.508 20 30 FFEDLO C=C1CCC(C(=O)NC[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000975516395 972779792 /nfs/dbraw/zinc/77/97/92/972779792.db2.gz QHPMNVPZBBOCQD-KBAYOESNSA-N 1 2 370.497 2.614 20 30 FFEDLO C=C1CCC(C(=O)NC[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000975516395 972779807 /nfs/dbraw/zinc/77/98/07/972779807.db2.gz QHPMNVPZBBOCQD-KBAYOESNSA-N 1 2 370.497 2.614 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC000960929135 1014110042 /nfs/dbraw/zinc/11/00/42/1014110042.db2.gz WETNZDWHWADHIW-AOIWGVFYSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc(C)c(C)o1 ZINC000960929135 1014110047 /nfs/dbraw/zinc/11/00/47/1014110047.db2.gz WETNZDWHWADHIW-AOIWGVFYSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CCN(C(=O)C[C@H](C)n4cc[nH+]c4)[C@H]3C2)C1 ZINC000975992555 973675861 /nfs/dbraw/zinc/67/58/61/973675861.db2.gz JEMPPVMAUGAJRK-BZSNNMDCSA-N 1 2 370.497 2.640 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088213409 973684979 /nfs/dbraw/zinc/68/49/79/973684979.db2.gz ZSLPDRWATYLNMT-CEXWTWQISA-N 1 2 361.917 2.822 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)N(C)C)C[C@@H]2C1 ZINC001088213409 973684981 /nfs/dbraw/zinc/68/49/81/973684981.db2.gz ZSLPDRWATYLNMT-CEXWTWQISA-N 1 2 361.917 2.822 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1)[C@H](C)COC ZINC000661243303 973979395 /nfs/dbraw/zinc/97/93/95/973979395.db2.gz IWXLZTLDPDZLDD-QGZVFWFLSA-N 1 2 356.470 2.951 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1)[C@H](C)COC ZINC000661243303 973979400 /nfs/dbraw/zinc/97/94/00/973979400.db2.gz IWXLZTLDPDZLDD-QGZVFWFLSA-N 1 2 356.470 2.951 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(C(C)(C)C)c3C)[C@@H]2C1 ZINC001075857766 974256002 /nfs/dbraw/zinc/25/60/02/974256002.db2.gz DDTSOSUJLSGXHG-GOEBONIOSA-N 1 2 350.894 2.845 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(C(C)(C)C)c3C)[C@@H]2C1 ZINC001075857766 974256010 /nfs/dbraw/zinc/25/60/10/974256010.db2.gz DDTSOSUJLSGXHG-GOEBONIOSA-N 1 2 350.894 2.845 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1cnc(C)o1)c1ccccc1 ZINC001481373524 974531191 /nfs/dbraw/zinc/53/11/91/974531191.db2.gz SQCHKFSGKPUMKD-ZCNNSNEGSA-N 1 2 369.465 2.911 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000977169430 974659379 /nfs/dbraw/zinc/65/93/79/974659379.db2.gz FNEWXNZMAUVRRJ-ARFHVFGLSA-N 1 2 370.497 2.730 20 30 FFEDLO COCc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)o1 ZINC001088726354 975632186 /nfs/dbraw/zinc/63/21/86/975632186.db2.gz PZKVZQUIPOJXPD-KDOFPFPSSA-N 1 2 353.422 2.690 20 30 FFEDLO COCc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)o1 ZINC001088726354 975632193 /nfs/dbraw/zinc/63/21/93/975632193.db2.gz PZKVZQUIPOJXPD-KDOFPFPSSA-N 1 2 353.422 2.690 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981186731 976313366 /nfs/dbraw/zinc/31/33/66/976313366.db2.gz YZKSYSKYCFLXRJ-RTWAWAEBSA-N 1 2 352.478 2.554 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981186731 976313370 /nfs/dbraw/zinc/31/33/70/976313370.db2.gz YZKSYSKYCFLXRJ-RTWAWAEBSA-N 1 2 352.478 2.554 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000962023402 1014328344 /nfs/dbraw/zinc/32/83/44/1014328344.db2.gz KJXHXEKKYFDEQS-PXTPFGJHSA-N 1 2 353.441 2.680 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000962023402 1014328351 /nfs/dbraw/zinc/32/83/51/1014328351.db2.gz KJXHXEKKYFDEQS-PXTPFGJHSA-N 1 2 353.441 2.680 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)Cc2cnoc2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088811203 976654523 /nfs/dbraw/zinc/65/45/23/976654523.db2.gz QJUPQIYOLPJIAR-KDOFPFPSSA-N 1 2 357.841 2.501 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)Cc2cnoc2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088811203 976654530 /nfs/dbraw/zinc/65/45/30/976654530.db2.gz QJUPQIYOLPJIAR-KDOFPFPSSA-N 1 2 357.841 2.501 20 30 FFEDLO C#CCN(C(=O)C[C@H](C)n1cc[nH+]c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000899269023 977065867 /nfs/dbraw/zinc/06/58/67/977065867.db2.gz CHXLBMIYYCIVHP-INIZCTEOSA-N 1 2 374.485 2.696 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ncc(C(C)C)o1 ZINC001028195530 977097288 /nfs/dbraw/zinc/09/72/88/977097288.db2.gz PUFVRHFMXSMVNF-GJYPPUQNSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ncc(C(C)C)o1 ZINC001028195530 977097295 /nfs/dbraw/zinc/09/72/95/977097295.db2.gz PUFVRHFMXSMVNF-GJYPPUQNSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000982135167 977293286 /nfs/dbraw/zinc/29/32/86/977293286.db2.gz VQGVBRSCEVDCHF-SFTDATJTSA-N 1 2 367.493 2.964 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000982135167 977293292 /nfs/dbraw/zinc/29/32/92/977293292.db2.gz VQGVBRSCEVDCHF-SFTDATJTSA-N 1 2 367.493 2.964 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3coc(-c4ccccc4)n3)C[C@H]21 ZINC001075615993 977313867 /nfs/dbraw/zinc/31/38/67/977313867.db2.gz GDYOKYNSZNPDAE-UWWQBHOKSA-N 1 2 350.422 2.534 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3coc(-c4ccccc4)n3)C[C@H]21 ZINC001075615993 977313870 /nfs/dbraw/zinc/31/38/70/977313870.db2.gz GDYOKYNSZNPDAE-UWWQBHOKSA-N 1 2 350.422 2.534 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3cncc(CC)c3)[C@@H]2C1 ZINC001076045623 979060065 /nfs/dbraw/zinc/06/00/65/979060065.db2.gz IPIBIPOMPDXPST-GOEBONIOSA-N 1 2 364.287 2.699 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cncc(CC)c3)[C@@H]2C1 ZINC001076045623 979060070 /nfs/dbraw/zinc/06/00/70/979060070.db2.gz IPIBIPOMPDXPST-GOEBONIOSA-N 1 2 364.287 2.699 20 30 FFEDLO CO[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21)C1CCC1 ZINC001076095077 979109322 /nfs/dbraw/zinc/10/93/22/979109322.db2.gz UYXKSJFXFZTEHY-DBVUQKKJSA-N 1 2 371.456 2.545 20 30 FFEDLO CO[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21)C1CCC1 ZINC001076095077 979109327 /nfs/dbraw/zinc/10/93/27/979109327.db2.gz UYXKSJFXFZTEHY-DBVUQKKJSA-N 1 2 371.456 2.545 20 30 FFEDLO CCCc1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)n[nH]1 ZINC001076114731 979131763 /nfs/dbraw/zinc/13/17/63/979131763.db2.gz GZYTVAKEVCFITP-SCLBCKFNSA-N 1 2 369.494 2.642 20 30 FFEDLO CCCc1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)n[nH]1 ZINC001076114731 979131767 /nfs/dbraw/zinc/13/17/67/979131767.db2.gz GZYTVAKEVCFITP-SCLBCKFNSA-N 1 2 369.494 2.642 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)[C@@H]2C1 ZINC001076270930 979301007 /nfs/dbraw/zinc/30/10/07/979301007.db2.gz IPVGEMOTEBVZLP-GBJTYRQASA-N 1 2 365.271 2.824 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)[C@@H]2C1 ZINC001076270930 979301018 /nfs/dbraw/zinc/30/10/18/979301018.db2.gz IPVGEMOTEBVZLP-GBJTYRQASA-N 1 2 365.271 2.824 20 30 FFEDLO Cc1nocc1C(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)[C@@H]1C ZINC001088833366 979416163 /nfs/dbraw/zinc/41/61/63/979416163.db2.gz PAOLKVWHTZLWIH-KDOFPFPSSA-N 1 2 357.841 2.881 20 30 FFEDLO Cc1nocc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H]1C ZINC001088833366 979416166 /nfs/dbraw/zinc/41/61/66/979416166.db2.gz PAOLKVWHTZLWIH-KDOFPFPSSA-N 1 2 357.841 2.881 20 30 FFEDLO C#C[C@H]([NH2+]Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)[C@H]1CCCO1 ZINC000877413002 1014578778 /nfs/dbraw/zinc/57/87/78/1014578778.db2.gz CGRWLXSXOPFBIB-LSDHHAIUSA-N 1 2 363.458 2.705 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-c4ncon4)cc3)[C@@H]2C1 ZINC001076473869 979554130 /nfs/dbraw/zinc/55/41/30/979554130.db2.gz RUCSDRAAHOMPRF-JKSUJKDBSA-N 1 2 358.829 2.635 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-c4ncon4)cc3)[C@@H]2C1 ZINC001076473869 979554139 /nfs/dbraw/zinc/55/41/39/979554139.db2.gz RUCSDRAAHOMPRF-JKSUJKDBSA-N 1 2 358.829 2.635 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ncoc4C(C)C)C[C@H]32)nc1 ZINC001076476182 979556068 /nfs/dbraw/zinc/55/60/68/979556068.db2.gz ZXUREDFNWDKKQQ-QFBILLFUSA-N 1 2 364.449 2.521 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ncoc4C(C)C)C[C@H]32)nc1 ZINC001076476182 979556071 /nfs/dbraw/zinc/55/60/71/979556071.db2.gz ZXUREDFNWDKKQQ-QFBILLFUSA-N 1 2 364.449 2.521 20 30 FFEDLO Cc1c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cnn1CCC#N ZINC000897367012 979722524 /nfs/dbraw/zinc/72/25/24/979722524.db2.gz XKYSYJIOYWFDOI-UHFFFAOYSA-N 1 2 354.458 2.634 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)CC2=CCOCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088837576 979994274 /nfs/dbraw/zinc/99/42/74/979994274.db2.gz NDTUSROABKWDRW-KUHUBIRLSA-N 1 2 357.429 2.513 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)CC2=CCOCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088837576 979994281 /nfs/dbraw/zinc/99/42/81/979994281.db2.gz NDTUSROABKWDRW-KUHUBIRLSA-N 1 2 357.429 2.513 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCC([C@H](C)NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000987003588 980425668 /nfs/dbraw/zinc/42/56/68/980425668.db2.gz UXMKMGLVWMIDCB-USXIJHARSA-N 1 2 370.497 2.613 20 30 FFEDLO C=C1CC(C)(C(=O)N2CCC([C@H](C)NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000987003588 980425674 /nfs/dbraw/zinc/42/56/74/980425674.db2.gz UXMKMGLVWMIDCB-USXIJHARSA-N 1 2 370.497 2.613 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1cc(O)ccc1Cl ZINC001088533771 980463182 /nfs/dbraw/zinc/46/31/82/980463182.db2.gz IXMWOVZOTRVOBI-DIFFPNOSSA-N 1 2 358.829 2.638 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1cc(O)ccc1Cl ZINC001088533771 980463186 /nfs/dbraw/zinc/46/31/86/980463186.db2.gz IXMWOVZOTRVOBI-DIFFPNOSSA-N 1 2 358.829 2.638 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+](Cc3nc(C)c(C)o3)C[C@H]21 ZINC001075885443 980483474 /nfs/dbraw/zinc/48/34/74/980483474.db2.gz XADQSCZAOLUAOM-FUHWJXTLSA-N 1 2 354.454 2.625 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+](Cc3nc(C)c(C)o3)C[C@H]21 ZINC001075885443 980483478 /nfs/dbraw/zinc/48/34/78/980483478.db2.gz XADQSCZAOLUAOM-FUHWJXTLSA-N 1 2 354.454 2.625 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc(C)sc2C)[C@@H]1C ZINC001088575937 981228504 /nfs/dbraw/zinc/22/85/04/981228504.db2.gz NYSVNCFRHFFQQB-ANRZDRKOSA-N 1 2 363.527 2.820 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)sc2C)[C@@H]1C ZINC001088575937 981228509 /nfs/dbraw/zinc/22/85/09/981228509.db2.gz NYSVNCFRHFFQQB-ANRZDRKOSA-N 1 2 363.527 2.820 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCc3c2c(F)ccc3F)C[C@H]1OC ZINC001211999693 981438815 /nfs/dbraw/zinc/43/88/15/981438815.db2.gz UGJLQUMKUDAKBI-IXDOHACOSA-N 1 2 350.409 2.734 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3c2c(F)ccc3F)C[C@H]1OC ZINC001211999693 981438820 /nfs/dbraw/zinc/43/88/20/981438820.db2.gz UGJLQUMKUDAKBI-IXDOHACOSA-N 1 2 350.409 2.734 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[C@H](C)C(C)C ZINC001212005008 981450389 /nfs/dbraw/zinc/45/03/89/981450389.db2.gz WAHQVFGKFFJYKO-PWIZWCRZSA-N 1 2 360.473 2.675 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[C@H](C)C(C)C ZINC001212005008 981450396 /nfs/dbraw/zinc/45/03/96/981450396.db2.gz WAHQVFGKFFJYKO-PWIZWCRZSA-N 1 2 360.473 2.675 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[C@@H](C)C(C)C ZINC001212015376 981457761 /nfs/dbraw/zinc/45/77/61/981457761.db2.gz ICXSQLIZCPTSGX-NIKGAXFTSA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[C@@H](C)C(C)C ZINC001212015376 981457762 /nfs/dbraw/zinc/45/77/62/981457762.db2.gz ICXSQLIZCPTSGX-NIKGAXFTSA-N 1 2 361.461 2.695 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)/C=C\C(C)(C)C ZINC001212048114 981476454 /nfs/dbraw/zinc/47/64/54/981476454.db2.gz UMFWCDZCBHTLOS-BTFXCVNISA-N 1 2 359.445 2.615 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)/C=C\C(C)(C)C ZINC001212048114 981476456 /nfs/dbraw/zinc/47/64/56/981476456.db2.gz UMFWCDZCBHTLOS-BTFXCVNISA-N 1 2 359.445 2.615 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cc2cc(C3CC3)no2)[C@H]1C ZINC001088616108 981575703 /nfs/dbraw/zinc/57/57/03/981575703.db2.gz QJBKMULEPWIBBQ-RISCZKNCSA-N 1 2 368.275 2.582 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cc2cc(C3CC3)no2)[C@H]1C ZINC001088616108 981575706 /nfs/dbraw/zinc/57/57/06/981575706.db2.gz QJBKMULEPWIBBQ-RISCZKNCSA-N 1 2 368.275 2.582 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(=O)Nc3ccc(C)cc3)[C@@H]2C)C1 ZINC001088840115 981936303 /nfs/dbraw/zinc/93/63/03/981936303.db2.gz WEQCKGMFIMJAHF-AEFFLSMTSA-N 1 2 355.482 2.869 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(=O)Nc3ccc(C)cc3)[C@@H]2C)C1 ZINC001088840115 981936311 /nfs/dbraw/zinc/93/63/11/981936311.db2.gz WEQCKGMFIMJAHF-AEFFLSMTSA-N 1 2 355.482 2.869 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC001483388757 982012532 /nfs/dbraw/zinc/01/25/32/982012532.db2.gz LPIOLANPYJSSSL-ZNMIVQPWSA-N 1 2 365.543 2.968 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC001483388757 982012543 /nfs/dbraw/zinc/01/25/43/982012543.db2.gz LPIOLANPYJSSSL-ZNMIVQPWSA-N 1 2 365.543 2.968 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccn3c2CCCC3)[C@H]1C ZINC001088629462 982022229 /nfs/dbraw/zinc/02/22/29/982022229.db2.gz ACCQECZADYSFDA-HIFRSBDPSA-N 1 2 366.303 2.926 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c2CCCC3)[C@H]1C ZINC001088629462 982022240 /nfs/dbraw/zinc/02/22/40/982022240.db2.gz ACCQECZADYSFDA-HIFRSBDPSA-N 1 2 366.303 2.926 20 30 FFEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)C1CC1 ZINC000763943322 983954483 /nfs/dbraw/zinc/95/44/83/983954483.db2.gz FPCNILNEWPTXHD-UHFFFAOYSA-N 1 2 361.445 2.653 20 30 FFEDLO C#CC[N@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)C1CC1 ZINC000763943322 983954486 /nfs/dbraw/zinc/95/44/86/983954486.db2.gz FPCNILNEWPTXHD-UHFFFAOYSA-N 1 2 361.445 2.653 20 30 FFEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000668959507 984027951 /nfs/dbraw/zinc/02/79/51/984027951.db2.gz MARGRVKYDFRHTG-FUHWJXTLSA-N 1 2 368.481 2.553 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC/C=C\CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107545801 984664972 /nfs/dbraw/zinc/66/49/72/984664972.db2.gz NNGZZKZYIIPJTB-OIIZEAPSSA-N 1 2 370.497 2.729 20 30 FFEDLO C#CCOc1ccc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000765143626 984973227 /nfs/dbraw/zinc/97/32/27/984973227.db2.gz YERYCFUCVFDSHK-OAQYLSRUSA-N 1 2 365.429 2.643 20 30 FFEDLO C#CCOc1ccc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000765143626 984973236 /nfs/dbraw/zinc/97/32/36/984973236.db2.gz YERYCFUCVFDSHK-OAQYLSRUSA-N 1 2 365.429 2.643 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2conc2C2CC2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088846971 984978398 /nfs/dbraw/zinc/97/83/98/984978398.db2.gz QIMVMSQMZJIFBE-XIKOKIGWSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2conc2C2CC2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088846971 984978400 /nfs/dbraw/zinc/97/84/00/984978400.db2.gz QIMVMSQMZJIFBE-XIKOKIGWSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2conc2C2CC2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088849679 985002739 /nfs/dbraw/zinc/00/27/39/985002739.db2.gz CIWYUDNRDXNKQR-BZNIZROVSA-N 1 2 356.451 2.878 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2conc2C2CC2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088849679 985002750 /nfs/dbraw/zinc/00/27/50/985002750.db2.gz CIWYUDNRDXNKQR-BZNIZROVSA-N 1 2 356.451 2.878 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001088868505 985164278 /nfs/dbraw/zinc/16/42/78/985164278.db2.gz ILGKZEGOGVMZPE-BEKAIBRUSA-N 1 2 372.896 2.862 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001088868505 985164284 /nfs/dbraw/zinc/16/42/84/985164284.db2.gz ILGKZEGOGVMZPE-BEKAIBRUSA-N 1 2 372.896 2.862 20 30 FFEDLO N#Cc1ccc(F)c(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000888354219 985488906 /nfs/dbraw/zinc/48/89/06/985488906.db2.gz SIFOQAUYZUQUGU-UHFFFAOYSA-N 1 2 368.412 2.851 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)o1 ZINC001088938110 985536808 /nfs/dbraw/zinc/53/68/08/985536808.db2.gz WPRRIPCMQLGWPX-WBMJQRKESA-N 1 2 357.385 2.692 20 30 FFEDLO COc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)o1 ZINC001088938110 985536810 /nfs/dbraw/zinc/53/68/10/985536810.db2.gz WPRRIPCMQLGWPX-WBMJQRKESA-N 1 2 357.385 2.692 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](Cc2cncc(F)c2)[C@@H]1C ZINC001088970332 985683569 /nfs/dbraw/zinc/68/35/69/985683569.db2.gz UQZHSTOJDFCOQS-PBHICJAKSA-N 1 2 370.428 2.573 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](Cc2cncc(F)c2)[C@@H]1C ZINC001088970332 985683573 /nfs/dbraw/zinc/68/35/73/985683573.db2.gz UQZHSTOJDFCOQS-PBHICJAKSA-N 1 2 370.428 2.573 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(C)CC(F)(F)C2)[C@H]1C ZINC001088972480 985683660 /nfs/dbraw/zinc/68/36/60/985683660.db2.gz KRSMYHWVTLSKKZ-MNOVXSKESA-N 1 2 351.235 2.909 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(C)CC(F)(F)C2)[C@H]1C ZINC001088972480 985683663 /nfs/dbraw/zinc/68/36/63/985683663.db2.gz KRSMYHWVTLSKKZ-MNOVXSKESA-N 1 2 351.235 2.909 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(Cl)n3)[C@@H]2C)nc1 ZINC001088988062 985779406 /nfs/dbraw/zinc/77/94/06/985779406.db2.gz CKVHPKUQVJEFIC-CJNGLKHVSA-N 1 2 354.841 2.504 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(Cl)n3)[C@@H]2C)nc1 ZINC001088988062 985779409 /nfs/dbraw/zinc/77/94/09/985779409.db2.gz CKVHPKUQVJEFIC-CJNGLKHVSA-N 1 2 354.841 2.504 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccnc(Cl)c3)[C@@H]2C)cn1 ZINC001088990901 985788878 /nfs/dbraw/zinc/78/88/78/985788878.db2.gz WEZKAIYPXQLWFH-DYVFJYSZSA-N 1 2 354.841 2.504 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccnc(Cl)c3)[C@@H]2C)cn1 ZINC001088990901 985788886 /nfs/dbraw/zinc/78/88/86/985788886.db2.gz WEZKAIYPXQLWFH-DYVFJYSZSA-N 1 2 354.841 2.504 20 30 FFEDLO CC1(C)CCCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001078288093 987122230 /nfs/dbraw/zinc/12/22/30/987122230.db2.gz MSUZZQHJMHCAAF-NJDAHSKKSA-N 1 2 368.521 2.806 20 30 FFEDLO CC1(C)CCCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001078288093 987122234 /nfs/dbraw/zinc/12/22/34/987122234.db2.gz MSUZZQHJMHCAAF-NJDAHSKKSA-N 1 2 368.521 2.806 20 30 FFEDLO C=CCC[C@@H](NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000673269626 987961219 /nfs/dbraw/zinc/96/12/19/987961219.db2.gz HDTDIRZUGGXPJU-RBUKOAKNSA-N 1 2 366.465 2.870 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC001003656099 988201730 /nfs/dbraw/zinc/20/17/30/988201730.db2.gz VLDCKECVEWMYJT-CVEARBPZSA-N 1 2 361.486 2.644 20 30 FFEDLO C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C3)C1 ZINC001003699400 988229829 /nfs/dbraw/zinc/22/98/29/988229829.db2.gz DKTFGQXVQNECRJ-ZACQAIPSSA-N 1 2 370.497 2.531 20 30 FFEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000922601714 988738983 /nfs/dbraw/zinc/73/89/83/988738983.db2.gz AUUMCMTUZWWBBH-MOPGFXCFSA-N 1 2 358.486 2.832 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)cc1F ZINC001007915375 1015420161 /nfs/dbraw/zinc/42/01/61/1015420161.db2.gz WDNYACVHYMHRJC-DSKINZAPSA-N 1 2 371.456 2.737 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)cc1F ZINC001007915375 1015420166 /nfs/dbraw/zinc/42/01/66/1015420166.db2.gz WDNYACVHYMHRJC-DSKINZAPSA-N 1 2 371.456 2.737 20 30 FFEDLO C#CCOc1ccc(CNC(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000922731220 988857493 /nfs/dbraw/zinc/85/74/93/988857493.db2.gz XYEUZEKYYFKMSC-UHFFFAOYSA-N 1 2 364.449 2.880 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)ccc1F ZINC001007975131 1015438142 /nfs/dbraw/zinc/43/81/42/1015438142.db2.gz CZJSXBWGXNAMLA-TXJVSEOTSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)ccc1F ZINC001007975131 1015438146 /nfs/dbraw/zinc/43/81/46/1015438146.db2.gz CZJSXBWGXNAMLA-TXJVSEOTSA-N 1 2 371.456 2.593 20 30 FFEDLO COc1ccc(NC(=S)N[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000915925945 989710042 /nfs/dbraw/zinc/71/00/42/989710042.db2.gz UAWUFWHAPGBVPD-UHFFFAOYSA-N 1 2 370.478 2.852 20 30 FFEDLO C[C@@H](CCCCNc1ccc(C#N)cn1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001090153346 989813899 /nfs/dbraw/zinc/81/38/99/989813899.db2.gz JYSNVJYMEVJDBL-USXIJHARSA-N 1 2 366.469 2.577 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001033953506 989851288 /nfs/dbraw/zinc/85/12/88/989851288.db2.gz DIVXYVLRXKDGRM-BBWFWOEESA-N 1 2 359.470 2.566 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001033953506 989851300 /nfs/dbraw/zinc/85/13/00/989851300.db2.gz DIVXYVLRXKDGRM-BBWFWOEESA-N 1 2 359.470 2.566 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001033953507 989851679 /nfs/dbraw/zinc/85/16/79/989851679.db2.gz DIVXYVLRXKDGRM-ZACQAIPSSA-N 1 2 359.470 2.566 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001033953507 989851694 /nfs/dbraw/zinc/85/16/94/989851694.db2.gz DIVXYVLRXKDGRM-ZACQAIPSSA-N 1 2 359.470 2.566 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)C[C@@H]1n1ccnn1 ZINC001128807748 989892747 /nfs/dbraw/zinc/89/27/47/989892747.db2.gz YBZUYSYMUWCYQD-KGLIPLIRSA-N 1 2 365.890 2.501 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)s2)C[C@@H]1n1ccnn1 ZINC001128807748 989892756 /nfs/dbraw/zinc/89/27/56/989892756.db2.gz YBZUYSYMUWCYQD-KGLIPLIRSA-N 1 2 365.890 2.501 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cc(C)on2)C1 ZINC001034435409 990079923 /nfs/dbraw/zinc/07/99/23/990079923.db2.gz HOYCKYGCWQXUCM-NEWSRXKRSA-N 1 2 361.486 2.825 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cc(C)on2)C1 ZINC001034435409 990079930 /nfs/dbraw/zinc/07/99/30/990079930.db2.gz HOYCKYGCWQXUCM-NEWSRXKRSA-N 1 2 361.486 2.825 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH2+][C@H](C)c2ncccn2)cc1 ZINC001034827662 990293245 /nfs/dbraw/zinc/29/32/45/990293245.db2.gz FACMXIAOINGHME-LZQZEXGQSA-N 1 2 366.465 2.535 20 30 FFEDLO CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000130594683 990566041 /nfs/dbraw/zinc/56/60/41/990566041.db2.gz BRIJBAULZZNYRU-GOSISDBHSA-N 1 2 370.497 2.541 20 30 FFEDLO CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000130594683 990566045 /nfs/dbraw/zinc/56/60/45/990566045.db2.gz BRIJBAULZZNYRU-GOSISDBHSA-N 1 2 370.497 2.541 20 30 FFEDLO N#C[C@@H](c1ccccc1)c1ccc(N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cc1 ZINC000804203339 990666434 /nfs/dbraw/zinc/66/64/34/990666434.db2.gz BMLXXFCQGIFLJQ-OALUTQOASA-N 1 2 371.400 2.733 20 30 FFEDLO C=CCOc1ccc(C[NH2+]C2(c3ncccn3)CCOCC2)cc1OC ZINC000923008169 990792984 /nfs/dbraw/zinc/79/29/84/990792984.db2.gz CRAYBWNDWVEKMN-UHFFFAOYSA-N 1 2 355.438 2.846 20 30 FFEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)cc1O ZINC000785480390 990847968 /nfs/dbraw/zinc/84/79/68/990847968.db2.gz HCWPDHDTDBVIAH-UHFFFAOYSA-N 1 2 372.428 2.770 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2c3ccc(C)cc3oc2C(C)=O)C1 ZINC000923560307 991249205 /nfs/dbraw/zinc/24/92/05/991249205.db2.gz SFZYSNYVBGWYTG-MRXNPFEDSA-N 1 2 352.434 2.700 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c3ccc(C)cc3oc2C(C)=O)C1 ZINC000923560307 991249213 /nfs/dbraw/zinc/24/92/13/991249213.db2.gz SFZYSNYVBGWYTG-MRXNPFEDSA-N 1 2 352.434 2.700 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCc2nnc(-c3ccccc3)o2)cc1OC ZINC000068322145 991396861 /nfs/dbraw/zinc/39/68/61/991396861.db2.gz PQBBKYWIDJBVHV-UHFFFAOYSA-N 1 2 368.393 2.785 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)CC2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129308073 991535168 /nfs/dbraw/zinc/53/51/68/991535168.db2.gz ZZWJQYNIXCUMGM-ZCNNSNEGSA-N 1 2 371.529 2.640 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)CC2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129308073 991535179 /nfs/dbraw/zinc/53/51/79/991535179.db2.gz ZZWJQYNIXCUMGM-ZCNNSNEGSA-N 1 2 371.529 2.640 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(C)c(C)s2)C1 ZINC001079147051 991804829 /nfs/dbraw/zinc/80/48/29/991804829.db2.gz UKVWOVMTVMWVAF-RTBURBONSA-N 1 2 368.502 2.686 20 30 FFEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cc(C)c(C)s2)C1 ZINC001079147051 991804834 /nfs/dbraw/zinc/80/48/34/991804834.db2.gz UKVWOVMTVMWVAF-RTBURBONSA-N 1 2 368.502 2.686 20 30 FFEDLO C=C(Cl)C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2c2ccsc2)CC1 ZINC001485019781 991815136 /nfs/dbraw/zinc/81/51/36/991815136.db2.gz MVLIEGNOLQIHJM-LSDHHAIUSA-N 1 2 354.903 2.547 20 30 FFEDLO C#CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)CC[C@H]1c1ccc(F)cc1 ZINC001079153776 991819935 /nfs/dbraw/zinc/81/99/35/991819935.db2.gz ZSKJQBFUXHHXGU-ZNMIVQPWSA-N 1 2 360.326 2.633 20 30 FFEDLO C#CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)CC[C@H]1c1ccc(F)cc1 ZINC001079153776 991819937 /nfs/dbraw/zinc/81/99/37/991819937.db2.gz ZSKJQBFUXHHXGU-ZNMIVQPWSA-N 1 2 360.326 2.633 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1nc(C3CC3)cs1)C2 ZINC001276486489 1032123068 /nfs/dbraw/zinc/12/30/68/1032123068.db2.gz ONKQZPDUDXWLQZ-IBGZPJMESA-N 1 2 361.511 2.648 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1nc(C3CC3)cs1)C2 ZINC001276486489 1032123075 /nfs/dbraw/zinc/12/30/75/1032123075.db2.gz ONKQZPDUDXWLQZ-IBGZPJMESA-N 1 2 361.511 2.648 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2scnc2C)C1 ZINC001079450938 992100742 /nfs/dbraw/zinc/10/07/42/992100742.db2.gz WTCREEXTRMKQQE-MLGOLLRUSA-N 1 2 370.478 2.582 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2scnc2C)C1 ZINC001079450938 992100744 /nfs/dbraw/zinc/10/07/44/992100744.db2.gz WTCREEXTRMKQQE-MLGOLLRUSA-N 1 2 370.478 2.582 20 30 FFEDLO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)s1 ZINC001079477193 992139044 /nfs/dbraw/zinc/13/90/44/992139044.db2.gz DBTVXQIDNLXJAQ-BDJLRTHQSA-N 1 2 358.442 2.713 20 30 FFEDLO Cc1ncc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)s1 ZINC001079477193 992139049 /nfs/dbraw/zinc/13/90/49/992139049.db2.gz DBTVXQIDNLXJAQ-BDJLRTHQSA-N 1 2 358.442 2.713 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2Cl)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079589237 992232692 /nfs/dbraw/zinc/23/26/92/992232692.db2.gz YVZZSWPBBKZEPQ-BDJLRTHQSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2Cl)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079589237 992232699 /nfs/dbraw/zinc/23/26/99/992232699.db2.gz YVZZSWPBBKZEPQ-BDJLRTHQSA-N 1 2 360.820 2.929 20 30 FFEDLO COCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CCC1 ZINC001110825848 1015710528 /nfs/dbraw/zinc/71/05/28/1015710528.db2.gz YCUWJLFPYGMQON-QRVBRYPASA-N 1 2 353.466 2.596 20 30 FFEDLO COCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CCC1 ZINC001110825848 1015710532 /nfs/dbraw/zinc/71/05/32/1015710532.db2.gz YCUWJLFPYGMQON-QRVBRYPASA-N 1 2 353.466 2.596 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001079850510 992533940 /nfs/dbraw/zinc/53/39/40/992533940.db2.gz NEVOWLGQDUVSNN-GDBMZVCRSA-N 1 2 358.873 2.973 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001079850510 992533947 /nfs/dbraw/zinc/53/39/47/992533947.db2.gz NEVOWLGQDUVSNN-GDBMZVCRSA-N 1 2 358.873 2.973 20 30 FFEDLO C=CCC1(C(=O)N2CC(N(CC)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCC1 ZINC001080013975 992652084 /nfs/dbraw/zinc/65/20/84/992652084.db2.gz HEWIRLAYWIGWLD-IAGOWNOFSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCC1(C(=O)N2CC(N(CC)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCC1 ZINC001080013975 992652089 /nfs/dbraw/zinc/65/20/89/992652089.db2.gz HEWIRLAYWIGWLD-IAGOWNOFSA-N 1 2 370.497 2.709 20 30 FFEDLO COCc1ccc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)o1 ZINC001080087299 992692710 /nfs/dbraw/zinc/69/27/10/992692710.db2.gz USOHMIPEVKQLHG-DNVCBOLYSA-N 1 2 370.424 2.667 20 30 FFEDLO COCc1ccc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)o1 ZINC001080087299 992692715 /nfs/dbraw/zinc/69/27/15/992692715.db2.gz USOHMIPEVKQLHG-DNVCBOLYSA-N 1 2 370.424 2.667 20 30 FFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000184353646 992724998 /nfs/dbraw/zinc/72/49/98/992724998.db2.gz DDFMEVZWESJDJS-HNNXBMFYSA-N 1 2 368.458 2.734 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001008846462 1015730081 /nfs/dbraw/zinc/73/00/81/1015730081.db2.gz MOVCRTPKNJLKRP-AABGKKOBSA-N 1 2 353.466 2.620 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001008846462 1015730086 /nfs/dbraw/zinc/73/00/86/1015730086.db2.gz MOVCRTPKNJLKRP-AABGKKOBSA-N 1 2 353.466 2.620 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c(C)[nH]nc2C(F)(F)F)C1 ZINC001080143376 992755307 /nfs/dbraw/zinc/75/53/07/992755307.db2.gz GMDTUIJQXWNDID-GMSGAONNSA-N 1 2 350.772 2.540 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(C)[nH]nc2C(F)(F)F)C1 ZINC001080143376 992755313 /nfs/dbraw/zinc/75/53/13/992755313.db2.gz GMDTUIJQXWNDID-GMSGAONNSA-N 1 2 350.772 2.540 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cc2ncccc2o1 ZINC001080148443 992791021 /nfs/dbraw/zinc/79/10/21/992791021.db2.gz LGHXTHWLQNCBCH-RDTXWAMCSA-N 1 2 360.417 2.950 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cc2ncccc2o1 ZINC001080148443 992791026 /nfs/dbraw/zinc/79/10/26/992791026.db2.gz LGHXTHWLQNCBCH-RDTXWAMCSA-N 1 2 360.417 2.950 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)sc3C)C[C@H]2C)cc1 ZINC001080244941 992868560 /nfs/dbraw/zinc/86/85/60/992868560.db2.gz SOFHKRQQHBXMRG-FZKQIMNGSA-N 1 2 353.491 2.992 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)sc3C)C[C@H]2C)cc1 ZINC001080244941 992868565 /nfs/dbraw/zinc/86/85/65/992868565.db2.gz SOFHKRQQHBXMRG-FZKQIMNGSA-N 1 2 353.491 2.992 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001080598895 993219384 /nfs/dbraw/zinc/21/93/84/993219384.db2.gz CHGWXKIALXRSIR-HPFXQQBRSA-N 1 2 361.486 2.716 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001080598895 993219391 /nfs/dbraw/zinc/21/93/91/993219391.db2.gz CHGWXKIALXRSIR-HPFXQQBRSA-N 1 2 361.486 2.716 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)c1cc2c([nH]1)CCC2 ZINC001080760237 993343586 /nfs/dbraw/zinc/34/35/86/993343586.db2.gz YMLVJLWQLBDHET-ZUOKHONESA-N 1 2 366.440 2.764 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)c1cc2c([nH]1)CCC2 ZINC001080760237 993343593 /nfs/dbraw/zinc/34/35/93/993343593.db2.gz YMLVJLWQLBDHET-ZUOKHONESA-N 1 2 366.440 2.764 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CCCC1(C)C ZINC001082036346 994131788 /nfs/dbraw/zinc/13/17/88/994131788.db2.gz JGXGRNJLZZMUNV-IPMKNSEASA-N 1 2 355.482 2.700 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CCCC1(C)C ZINC001082036346 994131793 /nfs/dbraw/zinc/13/17/93/994131793.db2.gz JGXGRNJLZZMUNV-IPMKNSEASA-N 1 2 355.482 2.700 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC000880444932 1015837813 /nfs/dbraw/zinc/83/78/13/1015837813.db2.gz SDFRVOJRGJGWEK-QGZVFWFLSA-N 1 2 358.388 2.829 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC000880444932 1015837820 /nfs/dbraw/zinc/83/78/20/1015837820.db2.gz SDFRVOJRGJGWEK-QGZVFWFLSA-N 1 2 358.388 2.829 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CCC(C)(C)C1 ZINC001082110903 994191879 /nfs/dbraw/zinc/19/18/79/994191879.db2.gz MEGUWASHJLAWLS-KFKAGJAMSA-N 1 2 355.482 2.700 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CCC(C)(C)C1 ZINC001082110903 994191886 /nfs/dbraw/zinc/19/18/86/994191886.db2.gz MEGUWASHJLAWLS-KFKAGJAMSA-N 1 2 355.482 2.700 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001082144629 994206479 /nfs/dbraw/zinc/20/64/79/994206479.db2.gz AYSPJZCYSPRTCW-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001082144629 994206494 /nfs/dbraw/zinc/20/64/94/994206494.db2.gz AYSPJZCYSPRTCW-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2OC)cc1 ZINC001082162443 994234248 /nfs/dbraw/zinc/23/42/48/994234248.db2.gz BOIVQKNQAHEELA-RTBURBONSA-N 1 2 367.474 2.892 20 30 FFEDLO C=Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2OC)cc1 ZINC001082162443 994234256 /nfs/dbraw/zinc/23/42/56/994234256.db2.gz BOIVQKNQAHEELA-RTBURBONSA-N 1 2 367.474 2.892 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3ccc(F)cc3)CC2)nc1 ZINC000808732178 994247483 /nfs/dbraw/zinc/24/74/83/994247483.db2.gz JRPFURXOTWOYTL-UHFFFAOYSA-N 1 2 373.453 2.746 20 30 FFEDLO CCc1ccc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2OC)cc1 ZINC001082353502 994444781 /nfs/dbraw/zinc/44/47/81/994444781.db2.gz ZKGTZVJUSQNJIY-FGZHOGPDSA-N 1 2 362.473 2.730 20 30 FFEDLO CCc1ccc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2OC)cc1 ZINC001082353502 994444785 /nfs/dbraw/zinc/44/47/85/994444785.db2.gz ZKGTZVJUSQNJIY-FGZHOGPDSA-N 1 2 362.473 2.730 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccoc1C(C)C ZINC001082390768 994516821 /nfs/dbraw/zinc/51/68/21/994516821.db2.gz CUEJAQWABMWUKR-WOJBJXKFSA-N 1 2 366.461 2.884 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccoc1C(C)C ZINC001082390768 994516829 /nfs/dbraw/zinc/51/68/29/994516829.db2.gz CUEJAQWABMWUKR-WOJBJXKFSA-N 1 2 366.461 2.884 20 30 FFEDLO COc1ccc(C[N@H+](CCO)CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000880570829 1015874510 /nfs/dbraw/zinc/87/45/10/1015874510.db2.gz GVFJCVXRHZATQF-UHFFFAOYSA-N 1 2 373.840 2.653 20 30 FFEDLO COc1ccc(C[N@@H+](CCO)CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000880570829 1015874515 /nfs/dbraw/zinc/87/45/15/1015874515.db2.gz GVFJCVXRHZATQF-UHFFFAOYSA-N 1 2 373.840 2.653 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC001082560837 994937855 /nfs/dbraw/zinc/93/78/55/994937855.db2.gz YXDMSTTZDOAVSM-HUUCEWRRSA-N 1 2 371.485 2.605 20 30 FFEDLO C#CC[N@@H+](CN1C(=O)C(C)(C)[C@@H]1[C@H]1CCCO1)[C@@H]1CCc2ccccc21 ZINC000811733122 995230988 /nfs/dbraw/zinc/23/09/88/995230988.db2.gz HYHQXCIFAZPLDX-AQNXPRMDSA-N 1 2 352.478 2.983 20 30 FFEDLO C#CC[N@H+](CN1C(=O)C(C)(C)[C@@H]1[C@H]1CCCO1)[C@@H]1CCc2ccccc21 ZINC000811733122 995230994 /nfs/dbraw/zinc/23/09/94/995230994.db2.gz HYHQXCIFAZPLDX-AQNXPRMDSA-N 1 2 352.478 2.983 20 30 FFEDLO COc1cc(CNC(=O)NCc2[nH+]cc(C)c(OC)c2C)ccc1C#N ZINC000811870793 995275477 /nfs/dbraw/zinc/27/54/77/995275477.db2.gz LJAFCDFSMFIIJW-UHFFFAOYSA-N 1 2 354.410 2.587 20 30 FFEDLO C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001082759460 995430532 /nfs/dbraw/zinc/43/05/32/995430532.db2.gz MTSSTRRHPZMIBL-CWTRNNRKSA-N 1 2 367.428 2.548 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CCC)no2)C1)c1ccccc1 ZINC001082937489 995870293 /nfs/dbraw/zinc/87/02/93/995870293.db2.gz ZASKPCBTKWSQTC-BPQIPLTHSA-N 1 2 368.481 2.928 20 30 FFEDLO CC1(C)CCC[C@@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@@H]2O)C1 ZINC001083955402 996180157 /nfs/dbraw/zinc/18/01/57/996180157.db2.gz BTWQACNDKKHELR-DBVUQKKJSA-N 1 2 369.509 2.826 20 30 FFEDLO CC1(C)CCC[C@@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@@H]2O)C1 ZINC001083955402 996180159 /nfs/dbraw/zinc/18/01/59/996180159.db2.gz BTWQACNDKKHELR-DBVUQKKJSA-N 1 2 369.509 2.826 20 30 FFEDLO Cc1c[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001096539775 1016020215 /nfs/dbraw/zinc/02/02/15/1016020215.db2.gz USHFDNKXHDXTGG-MNEFBYGVSA-N 1 2 352.413 2.869 20 30 FFEDLO Cc1c[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001096539775 1016020226 /nfs/dbraw/zinc/02/02/26/1016020226.db2.gz USHFDNKXHDXTGG-MNEFBYGVSA-N 1 2 352.413 2.869 20 30 FFEDLO CS[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084196513 996329330 /nfs/dbraw/zinc/32/93/30/996329330.db2.gz LVZPBJKQEMXKDF-YXJHDRRASA-N 1 2 362.926 2.976 20 30 FFEDLO CS[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084196513 996329336 /nfs/dbraw/zinc/32/93/36/996329336.db2.gz LVZPBJKQEMXKDF-YXJHDRRASA-N 1 2 362.926 2.976 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4cccc(Cl)c4)C[C@H]32)c[nH]1 ZINC001084235862 996386367 /nfs/dbraw/zinc/38/63/67/996386367.db2.gz QIMRLUZAKVHNQK-VQIMIIECSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4cccc(Cl)c4)C[C@H]32)c[nH]1 ZINC001084235862 996386369 /nfs/dbraw/zinc/38/63/69/996386369.db2.gz QIMRLUZAKVHNQK-VQIMIIECSA-N 1 2 368.868 2.570 20 30 FFEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3cscc3Br)C[C@H]21 ZINC001084236749 996386443 /nfs/dbraw/zinc/38/64/43/996386443.db2.gz PRNDVWBRJLMOQD-JTNHKYCSSA-N 1 2 368.300 2.703 20 30 FFEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3cscc3Br)C[C@H]21 ZINC001084236749 996386446 /nfs/dbraw/zinc/38/64/46/996386446.db2.gz PRNDVWBRJLMOQD-JTNHKYCSSA-N 1 2 368.300 2.703 20 30 FFEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(F)cc(F)c4)C[C@H]32)[nH]1 ZINC001084288011 996394443 /nfs/dbraw/zinc/39/44/43/996394443.db2.gz DRBSDTDPNUPGPW-FZKQIMNGSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(F)cc(F)c4)C[C@H]32)[nH]1 ZINC001084288011 996394448 /nfs/dbraw/zinc/39/44/48/996394448.db2.gz DRBSDTDPNUPGPW-FZKQIMNGSA-N 1 2 356.376 2.511 20 30 FFEDLO Cc1nscc1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084293318 996398126 /nfs/dbraw/zinc/39/81/26/996398126.db2.gz AAUGFJFYQZILQY-RDTXWAMCSA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1nscc1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084293318 996398130 /nfs/dbraw/zinc/39/81/30/996398130.db2.gz AAUGFJFYQZILQY-RDTXWAMCSA-N 1 2 370.453 2.809 20 30 FFEDLO N#Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccc(F)cn4)[C@@H]3C2)ccc1F ZINC001084295794 996401347 /nfs/dbraw/zinc/40/13/47/996401347.db2.gz LFFXUICNUACZFP-AUUYWEPGSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(F)cn4)[C@@H]3C2)ccc1F ZINC001084295794 996401349 /nfs/dbraw/zinc/40/13/49/996401349.db2.gz LFFXUICNUACZFP-AUUYWEPGSA-N 1 2 368.387 2.578 20 30 FFEDLO CC[C@H](SC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084283417 996428015 /nfs/dbraw/zinc/42/80/15/996428015.db2.gz ALRUQYNGKFHHEX-NXHRZFHOSA-N 1 2 361.486 2.872 20 30 FFEDLO CC[C@H](SC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084283417 996428019 /nfs/dbraw/zinc/42/80/19/996428019.db2.gz ALRUQYNGKFHHEX-NXHRZFHOSA-N 1 2 361.486 2.872 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[C@@H]4C(F)F)[C@@H]3C2)c1 ZINC001084314481 996447249 /nfs/dbraw/zinc/44/72/49/996447249.db2.gz PGYOAOHUWLEEHI-VWNJHIHFSA-N 1 2 363.383 2.631 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[C@@H]4C(F)F)[C@@H]3C2)c1 ZINC001084314481 996447252 /nfs/dbraw/zinc/44/72/52/996447252.db2.gz PGYOAOHUWLEEHI-VWNJHIHFSA-N 1 2 363.383 2.631 20 30 FFEDLO COc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001084333920 996463375 /nfs/dbraw/zinc/46/33/75/996463375.db2.gz GYBYQCMGGIAHMW-CRAIPNDOSA-N 1 2 358.869 2.795 20 30 FFEDLO COc1cccc(Cl)c1C[N@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001084333920 996463378 /nfs/dbraw/zinc/46/33/78/996463378.db2.gz GYBYQCMGGIAHMW-CRAIPNDOSA-N 1 2 358.869 2.795 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH]ccc-4n3)[C@@H]2C1 ZINC001084452809 996562846 /nfs/dbraw/zinc/56/28/46/996562846.db2.gz YBNZOAVQABNPDC-DYESRHJHSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH]ccc-4n3)[C@@H]2C1 ZINC001084452809 996562849 /nfs/dbraw/zinc/56/28/49/996562849.db2.gz YBNZOAVQABNPDC-DYESRHJHSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1ccccc1CN1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001084452809 996562852 /nfs/dbraw/zinc/56/28/52/996562852.db2.gz YBNZOAVQABNPDC-DYESRHJHSA-N 1 2 371.444 2.781 20 30 FFEDLO Cc1noc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)c1C ZINC001084437226 996589303 /nfs/dbraw/zinc/58/93/03/996589303.db2.gz IKIHNWXTPDZHEZ-CZUORRHYSA-N 1 2 356.451 2.571 20 30 FFEDLO Cc1noc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)c1C ZINC001084437226 996589306 /nfs/dbraw/zinc/58/93/06/996589306.db2.gz IKIHNWXTPDZHEZ-CZUORRHYSA-N 1 2 356.451 2.571 20 30 FFEDLO CC(C)c1n[nH]cc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084476660 996618154 /nfs/dbraw/zinc/61/81/54/996618154.db2.gz AXKRSXHUJBBUEG-IEBWSBKVSA-N 1 2 363.465 2.751 20 30 FFEDLO CC(C)c1n[nH]cc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084476660 996618157 /nfs/dbraw/zinc/61/81/57/996618157.db2.gz AXKRSXHUJBBUEG-IEBWSBKVSA-N 1 2 363.465 2.751 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4cc(C)ccc4O3)[C@@H]2C1 ZINC001084517894 996638640 /nfs/dbraw/zinc/63/86/40/996638640.db2.gz BQAWHEKRJCMANT-LMMKCTJWSA-N 1 2 360.885 2.974 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4cc(C)ccc4O3)[C@@H]2C1 ZINC001084517894 996638642 /nfs/dbraw/zinc/63/86/42/996638642.db2.gz BQAWHEKRJCMANT-LMMKCTJWSA-N 1 2 360.885 2.974 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cc(F)c[nH]4)[C@@H]3C2)cc1F ZINC001084528249 996663047 /nfs/dbraw/zinc/66/30/47/996663047.db2.gz LKUZRVCPHPCXBX-RDTXWAMCSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(F)c[nH]4)[C@@H]3C2)cc1F ZINC001084528249 996663048 /nfs/dbraw/zinc/66/30/48/996663048.db2.gz LKUZRVCPHPCXBX-RDTXWAMCSA-N 1 2 356.376 2.511 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4cc5n(n4)CCC5)C[C@H]32)CC1 ZINC001084634929 996748092 /nfs/dbraw/zinc/74/80/92/996748092.db2.gz KAAKJGSUIUMWOC-YLJYHZDGSA-N 1 2 354.498 2.608 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc5n(n4)CCC5)C[C@H]32)CC1 ZINC001084634929 996748095 /nfs/dbraw/zinc/74/80/95/996748095.db2.gz KAAKJGSUIUMWOC-YLJYHZDGSA-N 1 2 354.498 2.608 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C4(CF)CCC4)[C@@H]3C2)c(F)c1 ZINC001084671407 996812447 /nfs/dbraw/zinc/81/24/47/996812447.db2.gz RNSICCZZFLOZBI-SJLPKXTDSA-N 1 2 359.420 2.870 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C4(CF)CCC4)[C@@H]3C2)c(F)c1 ZINC001084671407 996812458 /nfs/dbraw/zinc/81/24/58/996812458.db2.gz RNSICCZZFLOZBI-SJLPKXTDSA-N 1 2 359.420 2.870 20 30 FFEDLO CCc1ncncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001096556228 1016074295 /nfs/dbraw/zinc/07/42/95/1016074295.db2.gz FHMLMPOFEMRYJB-UUWFMWQGSA-N 1 2 367.478 2.507 20 30 FFEDLO CCc1ncncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001096556228 1016074302 /nfs/dbraw/zinc/07/43/02/1016074302.db2.gz FHMLMPOFEMRYJB-UUWFMWQGSA-N 1 2 367.478 2.507 20 30 FFEDLO CCc1oncc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084694202 996910071 /nfs/dbraw/zinc/91/00/71/996910071.db2.gz RDCMKKYIBIGTFD-CRAIPNDOSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1oncc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084694202 996910082 /nfs/dbraw/zinc/91/00/82/996910082.db2.gz RDCMKKYIBIGTFD-CRAIPNDOSA-N 1 2 368.412 2.594 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC45CCC5)[C@@H]3C2)c1 ZINC001084689394 996917111 /nfs/dbraw/zinc/91/71/11/996917111.db2.gz DPWIGWIWPPMAAX-HHXXYDBFSA-N 1 2 353.441 2.920 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC45CCC5)[C@@H]3C2)c1 ZINC001084689394 996917122 /nfs/dbraw/zinc/91/71/22/996917122.db2.gz DPWIGWIWPPMAAX-HHXXYDBFSA-N 1 2 353.441 2.920 20 30 FFEDLO CC(C)C[C@@H](C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1)n1cc[nH+]c1 ZINC000824395464 996928888 /nfs/dbraw/zinc/92/88/88/996928888.db2.gz JAMKONBJCPUPKG-PXNSSMCTSA-N 1 2 351.454 2.949 20 30 FFEDLO C=CCOCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679498693 1016080676 /nfs/dbraw/zinc/08/06/76/1016080676.db2.gz RXIADQNMBFOHOB-HZPDHXFCSA-N 1 2 355.841 2.726 20 30 FFEDLO C=CCOCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679498693 1016080683 /nfs/dbraw/zinc/08/06/83/1016080683.db2.gz RXIADQNMBFOHOB-HZPDHXFCSA-N 1 2 355.841 2.726 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1CN(c2[nH+]c(C)nc(-n3cccn3)c2C)C[C@H]1C ZINC001090774985 996984212 /nfs/dbraw/zinc/98/42/12/996984212.db2.gz CHUCVVQRNBLBHW-RHSMWYFYSA-N 1 2 368.485 2.576 20 30 FFEDLO C#CCN(CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)C(=O)OC(C)(C)C ZINC000824919981 997145500 /nfs/dbraw/zinc/14/55/00/997145500.db2.gz CUXAFZOZOXPWPE-UHFFFAOYSA-N 1 2 354.410 2.886 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2F)C[C@H]1NC(=O)CSCC#N ZINC001206090353 1032139399 /nfs/dbraw/zinc/13/93/99/1032139399.db2.gz QGWMCHXDUXAUKZ-IAQYHMDHSA-N 1 2 355.866 2.672 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2F)C[C@H]1NC(=O)CSCC#N ZINC001206090353 1032139402 /nfs/dbraw/zinc/13/94/02/1032139402.db2.gz QGWMCHXDUXAUKZ-IAQYHMDHSA-N 1 2 355.866 2.672 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001090853887 997328316 /nfs/dbraw/zinc/32/83/16/997328316.db2.gz OPLQPZDCXICISR-ZYSHUDEJSA-N 1 2 366.465 2.783 20 30 FFEDLO CCCN(CCC)c1ccc(C=[NH+]Nc2nc3[nH][nH]cc-3c(=O)n2)cc1 ZINC000731157502 997719592 /nfs/dbraw/zinc/71/95/92/997719592.db2.gz MNMBTDPEMXQDBU-UHFFFAOYSA-N 1 2 353.430 2.504 20 30 FFEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000881121228 1016151956 /nfs/dbraw/zinc/15/19/56/1016151956.db2.gz DEUNQTHATHGCHV-KSSFIOAISA-N 1 2 354.454 2.763 20 30 FFEDLO COc1ccc(-c2ncc(C[NH+]3CCN(CCC#N)CC3)s2)cc1OC ZINC001144064434 997974111 /nfs/dbraw/zinc/97/41/11/997974111.db2.gz DZIGBAGXQAUBCF-UHFFFAOYSA-N 1 2 372.494 2.859 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(CC#N)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000881148372 1016181452 /nfs/dbraw/zinc/18/14/52/1016181452.db2.gz XVIKJRXROMJCIN-FUHWJXTLSA-N 1 2 371.391 2.993 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)Nc2cccc(CC#N)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000881148372 1016181454 /nfs/dbraw/zinc/18/14/54/1016181454.db2.gz XVIKJRXROMJCIN-FUHWJXTLSA-N 1 2 371.391 2.993 20 30 FFEDLO Cc1cc(N2CC[NH+](Cc3ccc(C#N)cn3)CC2)n(-c2ccccc2)n1 ZINC001144166532 998103272 /nfs/dbraw/zinc/10/32/72/998103272.db2.gz JPKTVPGTHVKJDZ-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)n3cccc3)C[C@@H]21 ZINC001084922912 998122374 /nfs/dbraw/zinc/12/23/74/998122374.db2.gz RYXAMIPAJLKCGY-OAGGEKHMSA-N 1 2 366.303 2.881 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)n3cccc3)C[C@@H]21 ZINC001084922912 998122379 /nfs/dbraw/zinc/12/23/79/998122379.db2.gz RYXAMIPAJLKCGY-OAGGEKHMSA-N 1 2 366.303 2.881 20 30 FFEDLO O=C(C#CC1CC1)N1CC[C@H]2CC[N@H+](Cc3ccn(C4CCCC4)n3)[C@H]2C1 ZINC001084937515 998221911 /nfs/dbraw/zinc/22/19/11/998221911.db2.gz CPCJUAJWUOUDFE-NQIIRXRSSA-N 1 2 366.509 2.834 20 30 FFEDLO O=C(C#CC1CC1)N1CC[C@H]2CC[N@@H+](Cc3ccn(C4CCCC4)n3)[C@H]2C1 ZINC001084937515 998221920 /nfs/dbraw/zinc/22/19/20/998221920.db2.gz CPCJUAJWUOUDFE-NQIIRXRSSA-N 1 2 366.509 2.834 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cnns3)[C@H]2C1 ZINC001084949118 998273433 /nfs/dbraw/zinc/27/34/33/998273433.db2.gz YOUZALSZPVFIOK-OCCSQVGLSA-N 1 2 354.907 2.740 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnns3)[C@H]2C1 ZINC001084949118 998273446 /nfs/dbraw/zinc/27/34/46/998273446.db2.gz YOUZALSZPVFIOK-OCCSQVGLSA-N 1 2 354.907 2.740 20 30 FFEDLO C#CC1(O)CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000820346275 998353893 /nfs/dbraw/zinc/35/38/93/998353893.db2.gz ZFHDHGUYUHBFDR-UHFFFAOYSA-N 1 2 364.449 2.878 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@H+](Cc3cscn3)[C@H]2C1 ZINC001084958938 998361340 /nfs/dbraw/zinc/36/13/40/998361340.db2.gz GTJSYNQJVPRLPN-QAPCUYQASA-N 1 2 356.495 2.867 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cscn3)[C@H]2C1 ZINC001084958938 998361353 /nfs/dbraw/zinc/36/13/53/998361353.db2.gz GTJSYNQJVPRLPN-QAPCUYQASA-N 1 2 356.495 2.867 20 30 FFEDLO CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845443464 998542041 /nfs/dbraw/zinc/54/20/41/998542041.db2.gz XNLIWWKFEAFUPH-HNNXBMFYSA-N 1 2 366.421 2.508 20 30 FFEDLO N#C[C@H](C(=O)C[N@@H+]1CC[C@H](c2ccco2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000732205095 998547124 /nfs/dbraw/zinc/54/71/24/998547124.db2.gz AJZGPEOPHWEQOC-DZGCQCFKSA-N 1 2 362.389 2.594 20 30 FFEDLO N#C[C@H](C(=O)C[N@H+]1CC[C@H](c2ccco2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000732205095 998547134 /nfs/dbraw/zinc/54/71/34/998547134.db2.gz AJZGPEOPHWEQOC-DZGCQCFKSA-N 1 2 362.389 2.594 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(C(C)C)nn3)[C@H]2C1 ZINC001085004701 998651574 /nfs/dbraw/zinc/65/15/74/998651574.db2.gz CHKRRUDCSRAQGQ-AEFFLSMTSA-N 1 2 359.518 2.884 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cn(C(C)C)nn3)[C@H]2C1 ZINC001085004701 998651577 /nfs/dbraw/zinc/65/15/77/998651577.db2.gz CHKRRUDCSRAQGQ-AEFFLSMTSA-N 1 2 359.518 2.884 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000845921828 998682488 /nfs/dbraw/zinc/68/24/88/998682488.db2.gz RZOSEYIHVREHIH-OAHLLOKOSA-N 1 2 372.494 2.790 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1noc(C)n1 ZINC001085225632 999199541 /nfs/dbraw/zinc/19/95/41/999199541.db2.gz GDMIPCDBZDMDAT-FVQBIDKESA-N 1 2 357.458 2.757 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066278515 999579014 /nfs/dbraw/zinc/57/90/14/999579014.db2.gz NGENGKXLNJQBBD-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066278515 999579017 /nfs/dbraw/zinc/57/90/17/999579017.db2.gz NGENGKXLNJQBBD-BZUAXINKSA-N 1 2 358.486 2.613 20 30 FFEDLO CC(C)C(=O)N1CCC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000738086636 999616012 /nfs/dbraw/zinc/61/60/12/999616012.db2.gz KMBFSGOKYDUNRY-UHFFFAOYSA-N 1 2 351.454 2.570 20 30 FFEDLO CC(C)C(=O)N1CCC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000738086636 999616014 /nfs/dbraw/zinc/61/60/14/999616014.db2.gz KMBFSGOKYDUNRY-UHFFFAOYSA-N 1 2 351.454 2.570 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)CCC)C2 ZINC001096600440 1016339603 /nfs/dbraw/zinc/33/96/03/1016339603.db2.gz SXTUGWPKCNHARF-QZWWFDLISA-N 1 2 367.921 2.642 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)CCC)C2 ZINC001096600440 1016339607 /nfs/dbraw/zinc/33/96/07/1016339607.db2.gz SXTUGWPKCNHARF-QZWWFDLISA-N 1 2 367.921 2.642 20 30 FFEDLO CC(C)(C)C(=O)CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000741157317 999710970 /nfs/dbraw/zinc/71/09/70/999710970.db2.gz ZZKAMBHEZIBWIF-UHFFFAOYSA-N 1 2 356.426 2.934 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741356583 999723963 /nfs/dbraw/zinc/72/39/63/999723963.db2.gz YEETXLVBHWVLPQ-PKOBYXMFSA-N 1 2 371.481 2.592 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741356583 999723965 /nfs/dbraw/zinc/72/39/65/999723965.db2.gz YEETXLVBHWVLPQ-PKOBYXMFSA-N 1 2 371.481 2.592 20 30 FFEDLO C#CC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CCCCC1 ZINC000744213795 999847699 /nfs/dbraw/zinc/84/76/99/999847699.db2.gz DUPXEUQLEZGVSS-QGZVFWFLSA-N 1 2 362.433 2.780 20 30 FFEDLO C#CC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CCCCC1 ZINC000744213795 999847701 /nfs/dbraw/zinc/84/77/01/999847701.db2.gz DUPXEUQLEZGVSS-QGZVFWFLSA-N 1 2 362.433 2.780 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)COC(=O)[C@@H]2CCCC[N@H+]2C)c1C ZINC000745081441 999894065 /nfs/dbraw/zinc/89/40/65/999894065.db2.gz ZCIWVBCHAGBJLX-SFHVURJKSA-N 1 2 357.454 2.578 20 30 FFEDLO Cc1cccc(N(CCC#N)C(=O)COC(=O)[C@@H]2CCCC[N@@H+]2C)c1C ZINC000745081441 999894067 /nfs/dbraw/zinc/89/40/67/999894067.db2.gz ZCIWVBCHAGBJLX-SFHVURJKSA-N 1 2 357.454 2.578 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)COC(=O)[C@@H]2CCCC[N@H+]2C)cc1C ZINC000745080981 999894081 /nfs/dbraw/zinc/89/40/81/999894081.db2.gz ZSLOJORTTNKZAJ-SFHVURJKSA-N 1 2 357.454 2.578 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)COC(=O)[C@@H]2CCCC[N@@H+]2C)cc1C ZINC000745080981 999894082 /nfs/dbraw/zinc/89/40/82/999894082.db2.gz ZSLOJORTTNKZAJ-SFHVURJKSA-N 1 2 357.454 2.578 20 30 FFEDLO C#CC[N@@H+](CC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccco1 ZINC000746457102 999993650 /nfs/dbraw/zinc/99/36/50/999993650.db2.gz XRNHTXFRVDFDOE-IBGZPJMESA-N 1 2 365.433 2.921 20 30 FFEDLO C#CC[N@H+](CC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccco1 ZINC000746457102 999993652 /nfs/dbraw/zinc/99/36/52/999993652.db2.gz XRNHTXFRVDFDOE-IBGZPJMESA-N 1 2 365.433 2.921 20 30 FFEDLO C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1OC ZINC000804335424 1000071996 /nfs/dbraw/zinc/07/19/96/1000071996.db2.gz YYPCKSMXHJULHS-RDTXFTJFSA-N 1 2 353.422 2.601 20 30 FFEDLO CCO[C@@H](CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109011736 1000150109 /nfs/dbraw/zinc/15/01/09/1000150109.db2.gz QJIAAWAMRQIDKD-BVBHFADKSA-N 1 2 359.445 2.734 20 30 FFEDLO CCO[C@@H](CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109011736 1000150111 /nfs/dbraw/zinc/15/01/11/1000150111.db2.gz QJIAAWAMRQIDKD-BVBHFADKSA-N 1 2 359.445 2.734 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)sc1C ZINC001109037704 1000157279 /nfs/dbraw/zinc/15/72/79/1000157279.db2.gz CWBGKAOREDYXEI-AWOKKLPBSA-N 1 2 363.527 2.963 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)sc1C ZINC001109037704 1000157281 /nfs/dbraw/zinc/15/72/81/1000157281.db2.gz CWBGKAOREDYXEI-AWOKKLPBSA-N 1 2 363.527 2.963 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109038166 1000157284 /nfs/dbraw/zinc/15/72/84/1000157284.db2.gz MOERGPBUHBVOLE-JBCDFXQESA-N 1 2 371.456 2.900 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109038166 1000157285 /nfs/dbraw/zinc/15/72/85/1000157285.db2.gz MOERGPBUHBVOLE-JBCDFXQESA-N 1 2 371.456 2.900 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1c(F)cccc1F ZINC001109065690 1000158201 /nfs/dbraw/zinc/15/82/01/1000158201.db2.gz NQCDBTMHPSNUKZ-OMNBBPDLSA-N 1 2 350.409 2.950 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1c(F)cccc1F ZINC001109065690 1000158203 /nfs/dbraw/zinc/15/82/03/1000158203.db2.gz NQCDBTMHPSNUKZ-OMNBBPDLSA-N 1 2 350.409 2.950 20 30 FFEDLO Cc1oc(-c2ccco2)nc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C#N)C2 ZINC001109088961 1000166158 /nfs/dbraw/zinc/16/61/58/1000166158.db2.gz VTZJRYNAOKYLMX-AEIGPULVSA-N 1 2 354.410 2.624 20 30 FFEDLO Cc1oc(-c2ccco2)nc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C#N)C2 ZINC001109088961 1000166159 /nfs/dbraw/zinc/16/61/59/1000166159.db2.gz VTZJRYNAOKYLMX-AEIGPULVSA-N 1 2 354.410 2.624 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1F ZINC001109213138 1000188430 /nfs/dbraw/zinc/18/84/30/1000188430.db2.gz MTMNNFHWACYQLB-UEABVUSTSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1F ZINC001109213138 1000188433 /nfs/dbraw/zinc/18/84/33/1000188433.db2.gz MTMNNFHWACYQLB-UEABVUSTSA-N 1 2 350.409 2.513 20 30 FFEDLO C#CCCOc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)cc1 ZINC000768248445 1000200670 /nfs/dbraw/zinc/20/06/70/1000200670.db2.gz DYLUGZRNLBUZJZ-UHFFFAOYSA-N 1 2 362.473 2.976 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)C(C)C ZINC001109342995 1000290510 /nfs/dbraw/zinc/29/05/10/1000290510.db2.gz FBLKWWHBINNDJH-IKGGRYGDSA-N 1 2 370.559 2.524 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)C(C)C ZINC001109342995 1000290515 /nfs/dbraw/zinc/29/05/15/1000290515.db2.gz FBLKWWHBINNDJH-IKGGRYGDSA-N 1 2 370.559 2.524 20 30 FFEDLO N#Cc1cccc(OCC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1 ZINC000846656656 1000402962 /nfs/dbraw/zinc/40/29/62/1000402962.db2.gz WYPPJNAVBDLYDA-QAQDUYKDSA-N 1 2 350.422 2.872 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(NC(C)=O)c(F)c1)C2 ZINC001096671934 1016425919 /nfs/dbraw/zinc/42/59/19/1016425919.db2.gz QPFPRAWRIHYANP-COXVUDFISA-N 1 2 365.836 2.872 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(NC(C)=O)c(F)c1)C2 ZINC001096671934 1016425923 /nfs/dbraw/zinc/42/59/23/1016425923.db2.gz QPFPRAWRIHYANP-COXVUDFISA-N 1 2 365.836 2.872 20 30 FFEDLO COCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)CCC1 ZINC001109534774 1000615204 /nfs/dbraw/zinc/61/52/04/1000615204.db2.gz QNMJCNPCJNKVIX-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO COCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)CCC1 ZINC001109534774 1000615208 /nfs/dbraw/zinc/61/52/08/1000615208.db2.gz QNMJCNPCJNKVIX-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO C=CCOCC(=O)NC[C@H]1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001091546364 1000636298 /nfs/dbraw/zinc/63/62/98/1000636298.db2.gz ZOQJAHLHBUPMFI-JKSUJKDBSA-N 1 2 358.486 2.563 20 30 FFEDLO COCC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109552789 1000640304 /nfs/dbraw/zinc/64/03/04/1000640304.db2.gz SAHSOWUSVDJCSB-NEWSRXKRSA-N 1 2 373.472 2.982 20 30 FFEDLO COCC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109552789 1000640307 /nfs/dbraw/zinc/64/03/07/1000640307.db2.gz SAHSOWUSVDJCSB-NEWSRXKRSA-N 1 2 373.472 2.982 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCC(C)CC1 ZINC001109624948 1000731422 /nfs/dbraw/zinc/73/14/22/1000731422.db2.gz KBQXYNZITLDNCP-PBDJWPIDSA-N 1 2 373.541 2.596 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCC(C)CC1 ZINC001109624948 1000731425 /nfs/dbraw/zinc/73/14/25/1000731425.db2.gz KBQXYNZITLDNCP-PBDJWPIDSA-N 1 2 373.541 2.596 20 30 FFEDLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1 ZINC001091655911 1000971292 /nfs/dbraw/zinc/97/12/92/1000971292.db2.gz RDTVSWIEYMBVGE-PXARDIRTSA-N 1 2 370.497 2.622 20 30 FFEDLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1 ZINC001091655911 1000971299 /nfs/dbraw/zinc/97/12/99/1000971299.db2.gz RDTVSWIEYMBVGE-PXARDIRTSA-N 1 2 370.497 2.622 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3ccco3)s1)C2 ZINC001109915093 1001141635 /nfs/dbraw/zinc/14/16/35/1001141635.db2.gz IGACPQYPLDUCSQ-PMPSAXMXSA-N 1 2 370.474 2.993 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3ccco3)s1)C2 ZINC001109915093 1001141639 /nfs/dbraw/zinc/14/16/39/1001141639.db2.gz IGACPQYPLDUCSQ-PMPSAXMXSA-N 1 2 370.474 2.993 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3ccsc31)C2 ZINC001109926091 1001160266 /nfs/dbraw/zinc/16/02/66/1001160266.db2.gz RXHUWYOVIIMHAE-PVAVHDDUSA-N 1 2 369.490 2.539 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3ccsc31)C2 ZINC001109926091 1001160276 /nfs/dbraw/zinc/16/02/76/1001160276.db2.gz RXHUWYOVIIMHAE-PVAVHDDUSA-N 1 2 369.490 2.539 20 30 FFEDLO COCCC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109940899 1001179066 /nfs/dbraw/zinc/17/90/66/1001179066.db2.gz CWIYNAVUOYJJDE-LDTOTXGLSA-N 1 2 355.482 2.842 20 30 FFEDLO COCCC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109940899 1001179071 /nfs/dbraw/zinc/17/90/71/1001179071.db2.gz CWIYNAVUOYJJDE-LDTOTXGLSA-N 1 2 355.482 2.842 20 30 FFEDLO Cc1ccn(C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)c(=O)c1C#N ZINC000788367637 1001794460 /nfs/dbraw/zinc/79/44/60/1001794460.db2.gz UROWPAJRVNCVHL-UHFFFAOYSA-N 1 2 372.856 2.825 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1CC ZINC001091790382 1001822201 /nfs/dbraw/zinc/82/22/01/1001822201.db2.gz XDQQVAYZGZGQFY-IXDOHACOSA-N 1 2 360.502 2.973 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccnn2[C@@H]2CCCCO2)C1=O ZINC001276224300 1016565411 /nfs/dbraw/zinc/56/54/11/1016565411.db2.gz FNNLTHIIHGKZNQ-AZUAARDMSA-N 1 2 358.486 2.725 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccnn2[C@@H]2CCCCO2)C1=O ZINC001276224300 1016565424 /nfs/dbraw/zinc/56/54/24/1016565424.db2.gz FNNLTHIIHGKZNQ-AZUAARDMSA-N 1 2 358.486 2.725 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccnn2[C@H]2CCCCO2)C1=O ZINC001276224302 1016566573 /nfs/dbraw/zinc/56/65/73/1016566573.db2.gz FNNLTHIIHGKZNQ-QUCCMNQESA-N 1 2 358.486 2.725 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccnn2[C@H]2CCCCO2)C1=O ZINC001276224302 1016566586 /nfs/dbraw/zinc/56/65/86/1016566586.db2.gz FNNLTHIIHGKZNQ-QUCCMNQESA-N 1 2 358.486 2.725 20 30 FFEDLO N#Cc1cnc(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)cn1 ZINC001182936609 1002113917 /nfs/dbraw/zinc/11/39/17/1002113917.db2.gz XZPLKAYJELYILO-UHFFFAOYSA-N 1 2 357.417 2.989 20 30 FFEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2N(C)C)C[C@@H]1NC(=O)C(F)(F)F ZINC001183075851 1002139823 /nfs/dbraw/zinc/13/98/23/1002139823.db2.gz ZKCJOPOFQQVEMU-DOMZBBRYSA-N 1 2 368.403 2.513 20 30 FFEDLO C#Cc1cncc(C(=O)N2C[C@H]3C[N@H+](C/C(Cl)=C/Cl)C[C@@]3(C)C2)c1 ZINC001091996902 1002203199 /nfs/dbraw/zinc/20/31/99/1002203199.db2.gz DAPZPBJTCJZGJT-VRVKRMTFSA-N 1 2 364.276 2.776 20 30 FFEDLO C#Cc1cncc(C(=O)N2C[C@H]3C[N@@H+](C/C(Cl)=C/Cl)C[C@@]3(C)C2)c1 ZINC001091996902 1002203209 /nfs/dbraw/zinc/20/32/09/1002203209.db2.gz DAPZPBJTCJZGJT-VRVKRMTFSA-N 1 2 364.276 2.776 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@@H+]([C@H](C)c4nnc(CC)[nH]4)C[C@@]3(C)C2)CC1 ZINC001091978829 1002239289 /nfs/dbraw/zinc/23/92/89/1002239289.db2.gz GXYXIXACCSWCSG-CEQIKUNHSA-N 1 2 371.529 2.955 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@H+]([C@H](C)c4nnc(CC)[nH]4)C[C@@]3(C)C2)CC1 ZINC001091978829 1002239297 /nfs/dbraw/zinc/23/92/97/1002239297.db2.gz GXYXIXACCSWCSG-CEQIKUNHSA-N 1 2 371.529 2.955 20 30 FFEDLO COCCN(C)c1ccc(C=[NH+]Nc2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000790165898 1002298522 /nfs/dbraw/zinc/29/85/22/1002298522.db2.gz WNJUXBLJUNZQRS-UHFFFAOYSA-N 1 2 359.386 2.527 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2sc(Cl)nc2C)C1 ZINC001086590545 1002466434 /nfs/dbraw/zinc/46/64/34/1002466434.db2.gz KJNCGCKXMJUKQA-LSDHHAIUSA-N 1 2 359.882 2.936 20 30 FFEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2sc(Cl)nc2C)C1 ZINC001086590545 1002466438 /nfs/dbraw/zinc/46/64/38/1002466438.db2.gz KJNCGCKXMJUKQA-LSDHHAIUSA-N 1 2 359.882 2.936 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](c3ccccc3)N(C)C)C[C@]2(C)C1 ZINC001092305088 1002639979 /nfs/dbraw/zinc/63/99/79/1002639979.db2.gz ZTCLTSVTIWLFFJ-HBFSDRIKSA-N 1 2 361.917 2.822 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](c3ccccc3)N(C)C)C[C@]2(C)C1 ZINC001092305088 1002639983 /nfs/dbraw/zinc/63/99/83/1002639983.db2.gz ZTCLTSVTIWLFFJ-HBFSDRIKSA-N 1 2 361.917 2.822 20 30 FFEDLO Cc1cc(N2C[C@@H](CNC(=O)C#CC(C)(C)C)[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC001092364425 1002725397 /nfs/dbraw/zinc/72/53/97/1002725397.db2.gz MEFHOYPDOYYHGC-RHSMWYFYSA-N 1 2 354.498 2.900 20 30 FFEDLO CC(=O)c1ccnc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001184869368 1002747315 /nfs/dbraw/zinc/74/73/15/1002747315.db2.gz YBSWDVDGPXPCNY-UHFFFAOYSA-N 1 2 362.433 2.572 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001095538048 1016685269 /nfs/dbraw/zinc/68/52/69/1016685269.db2.gz WDPYQERMWKDNNB-RYRKJORJSA-N 1 2 354.454 2.814 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001095538048 1016685279 /nfs/dbraw/zinc/68/52/79/1016685279.db2.gz WDPYQERMWKDNNB-RYRKJORJSA-N 1 2 354.454 2.814 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)C4(CC5CCC5)CC4)C3)C2)cc1C#N ZINC001276275795 1016695529 /nfs/dbraw/zinc/69/55/29/1016695529.db2.gz BUWMGVDFJWQHHY-UHFFFAOYSA-N 1 2 352.482 2.511 20 30 FFEDLO COc1ccc(CNC(=O)Nc2sc3c(c2C#N)CC[N@@H+](C)C3)cc1 ZINC001185507785 1002972452 /nfs/dbraw/zinc/97/24/52/1002972452.db2.gz FUHFYPMCGVEWRR-UHFFFAOYSA-N 1 2 356.451 2.938 20 30 FFEDLO COc1ccc(CNC(=O)Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc1 ZINC001185507785 1002972459 /nfs/dbraw/zinc/97/24/59/1002972459.db2.gz FUHFYPMCGVEWRR-UHFFFAOYSA-N 1 2 356.451 2.938 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)sc1C ZINC001110365906 1003011104 /nfs/dbraw/zinc/01/11/04/1003011104.db2.gz CWBGKAOREDYXEI-YMCQQKJTSA-N 1 2 363.527 2.963 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)sc1C ZINC001110365906 1003011115 /nfs/dbraw/zinc/01/11/15/1003011115.db2.gz CWBGKAOREDYXEI-YMCQQKJTSA-N 1 2 363.527 2.963 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)o1 ZINC001096915181 1016730370 /nfs/dbraw/zinc/73/03/70/1016730370.db2.gz MHIQCKCXANHLEM-NXHRZFHOSA-N 1 2 368.412 2.838 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)o1 ZINC001096915181 1016730381 /nfs/dbraw/zinc/73/03/81/1016730381.db2.gz MHIQCKCXANHLEM-NXHRZFHOSA-N 1 2 368.412 2.838 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc(C(C)(C)C)no1)C2 ZINC001110097363 1003096884 /nfs/dbraw/zinc/09/68/84/1003096884.db2.gz FDTILENWURQTSD-RDBSUJKOSA-N 1 2 366.893 2.774 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc(C(C)(C)C)no1)C2 ZINC001110097363 1003096897 /nfs/dbraw/zinc/09/68/97/1003096897.db2.gz FDTILENWURQTSD-RDBSUJKOSA-N 1 2 366.893 2.774 20 30 FFEDLO Cc1ncoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001096917861 1016736062 /nfs/dbraw/zinc/73/60/62/1016736062.db2.gz GQLYMOYYEPFXCB-KURKYZTESA-N 1 2 353.397 2.509 20 30 FFEDLO Cc1ncoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001096917861 1016736083 /nfs/dbraw/zinc/73/60/83/1016736083.db2.gz GQLYMOYYEPFXCB-KURKYZTESA-N 1 2 353.397 2.509 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113933124 1003249852 /nfs/dbraw/zinc/24/98/52/1003249852.db2.gz OYACZCLXVMQESQ-BBWFWOEESA-N 1 2 360.502 2.831 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F)n1cccc1 ZINC001096960005 1016772873 /nfs/dbraw/zinc/77/28/73/1016772873.db2.gz YKGSVVHHXFVEFL-JRJVTICQSA-N 1 2 366.440 2.982 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F)n1cccc1 ZINC001096960005 1016772891 /nfs/dbraw/zinc/77/28/91/1016772891.db2.gz YKGSVVHHXFVEFL-JRJVTICQSA-N 1 2 366.440 2.982 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001110388717 1003550629 /nfs/dbraw/zinc/55/06/29/1003550629.db2.gz FTRGYCBFBFURNC-QRVBRYPASA-N 1 2 358.869 2.616 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001110388717 1003550636 /nfs/dbraw/zinc/55/06/36/1003550636.db2.gz FTRGYCBFBFURNC-QRVBRYPASA-N 1 2 358.869 2.616 20 30 FFEDLO C=C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(C)cn1)c1ccccc1 ZINC001110136588 1003592169 /nfs/dbraw/zinc/59/21/69/1003592169.db2.gz ILPGACGIKOQVQV-ANULTFPQSA-N 1 2 362.477 2.976 20 30 FFEDLO C=C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(C)cn1)c1ccccc1 ZINC001110136588 1003592175 /nfs/dbraw/zinc/59/21/75/1003592175.db2.gz ILPGACGIKOQVQV-ANULTFPQSA-N 1 2 362.477 2.976 20 30 FFEDLO C#C[C@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CCCO1 ZINC000775688031 1003681019 /nfs/dbraw/zinc/68/10/19/1003681019.db2.gz KRWDJZQBICNVNQ-PKOBYXMFSA-N 1 2 362.433 2.904 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc3ccccc3o2)C[C@H]1O ZINC001196475302 1003781186 /nfs/dbraw/zinc/78/11/86/1003781186.db2.gz RRIWXJCPMANDFQ-NUEKZKHPSA-N 1 2 357.454 2.652 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc3ccccc3o2)C[C@H]1O ZINC001196475302 1003781190 /nfs/dbraw/zinc/78/11/90/1003781190.db2.gz RRIWXJCPMANDFQ-NUEKZKHPSA-N 1 2 357.454 2.652 20 30 FFEDLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc([C@@]3(C#N)CCCOC3)n2)C1 ZINC000867180906 1003822375 /nfs/dbraw/zinc/82/23/75/1003822375.db2.gz IZRWFDKYDZQLPW-FXAWDEMLSA-N 1 2 368.437 2.523 20 30 FFEDLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc([C@@]3(C#N)CCCOC3)n2)C1 ZINC000867180906 1003822394 /nfs/dbraw/zinc/82/23/94/1003822394.db2.gz IZRWFDKYDZQLPW-FXAWDEMLSA-N 1 2 368.437 2.523 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000804809405 1003850941 /nfs/dbraw/zinc/85/09/41/1003850941.db2.gz ALBYQYUGZUGULT-RTBURBONSA-N 1 2 350.466 2.874 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000804809405 1003850955 /nfs/dbraw/zinc/85/09/55/1003850955.db2.gz ALBYQYUGZUGULT-RTBURBONSA-N 1 2 350.466 2.874 20 30 FFEDLO N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(F)c2F)c[nH]1 ZINC001096983929 1016831362 /nfs/dbraw/zinc/83/13/62/1016831362.db2.gz QWNNQOFZKFWBTI-OIISXLGYSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(F)c2F)c[nH]1 ZINC001096983929 1016831377 /nfs/dbraw/zinc/83/13/77/1016831377.db2.gz QWNNQOFZKFWBTI-OIISXLGYSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[C@H]2CCOC2)C3)c(F)c1 ZINC001110439090 1003895343 /nfs/dbraw/zinc/89/53/43/1003895343.db2.gz NLNBIRBPXCKLPJ-GVXRKXQCSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[C@H]2CCOC2)C3)c(F)c1 ZINC001110439090 1003895357 /nfs/dbraw/zinc/89/53/57/1003895357.db2.gz NLNBIRBPXCKLPJ-GVXRKXQCSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCC2(F)F)C3)c1 ZINC001095598247 1016829103 /nfs/dbraw/zinc/82/91/03/1016829103.db2.gz TYHVPOTZXMCRJA-JHNDHUHGSA-N 1 2 363.383 2.964 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCC2(F)F)C3)c1 ZINC001095598247 1016829115 /nfs/dbraw/zinc/82/91/15/1016829115.db2.gz TYHVPOTZXMCRJA-JHNDHUHGSA-N 1 2 363.383 2.964 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CCc2cc(Cl)cc(Cl)c2)C[C@H]1O ZINC001191724337 1003926995 /nfs/dbraw/zinc/92/69/95/1003926995.db2.gz BHTARMIETZQQTL-HZPDHXFCSA-N 1 2 357.281 2.663 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CCc2cc(Cl)cc(Cl)c2)C[C@H]1O ZINC001191724337 1003927001 /nfs/dbraw/zinc/92/70/01/1003927001.db2.gz BHTARMIETZQQTL-HZPDHXFCSA-N 1 2 357.281 2.663 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(OC)CCC(c2ccccc2)CC1 ZINC000805228344 1004015780 /nfs/dbraw/zinc/01/57/80/1004015780.db2.gz LPYRIDWWWLBJQE-FUHYEJFZSA-N 1 2 354.494 2.943 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(OC)CCC(c2ccccc2)CC1 ZINC000805228344 1004015789 /nfs/dbraw/zinc/01/57/89/1004015789.db2.gz LPYRIDWWWLBJQE-FUHYEJFZSA-N 1 2 354.494 2.943 20 30 FFEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001197149014 1004101356 /nfs/dbraw/zinc/10/13/56/1004101356.db2.gz FLRKBVQADJCAKB-KFKAGJAMSA-N 1 2 362.901 2.679 20 30 FFEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001197149014 1004101361 /nfs/dbraw/zinc/10/13/61/1004101361.db2.gz FLRKBVQADJCAKB-KFKAGJAMSA-N 1 2 362.901 2.679 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)c(F)c2)co1 ZINC001096995202 1016855226 /nfs/dbraw/zinc/85/52/26/1016855226.db2.gz URZAOZHQBSJMGZ-KYJSFNMBSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)c(F)c2)co1 ZINC001096995202 1016855239 /nfs/dbraw/zinc/85/52/39/1016855239.db2.gz URZAOZHQBSJMGZ-KYJSFNMBSA-N 1 2 354.385 2.529 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2c2ncccn2)cc1 ZINC001197448859 1004209386 /nfs/dbraw/zinc/20/93/86/1004209386.db2.gz FNFCDJSBVLRWBR-MJGOQNOKSA-N 1 2 352.438 2.510 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2c2ncccn2)cc1 ZINC001197448859 1004209394 /nfs/dbraw/zinc/20/93/94/1004209394.db2.gz FNFCDJSBVLRWBR-MJGOQNOKSA-N 1 2 352.438 2.510 20 30 FFEDLO CC(C)(C)CCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001193200980 1004401037 /nfs/dbraw/zinc/40/10/37/1004401037.db2.gz GWXUSIXHXCIZQP-WOJBJXKFSA-N 1 2 356.510 2.806 20 30 FFEDLO CC(C)(C)CCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001193200980 1004401039 /nfs/dbraw/zinc/40/10/39/1004401039.db2.gz GWXUSIXHXCIZQP-WOJBJXKFSA-N 1 2 356.510 2.806 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cnccn2)C[C@H]1O ZINC001198081640 1004474425 /nfs/dbraw/zinc/47/44/25/1004474425.db2.gz PFVPMAKQXHWDFC-QXAKKESOSA-N 1 2 362.518 2.840 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cnccn2)C[C@H]1O ZINC001198081640 1004474429 /nfs/dbraw/zinc/47/44/29/1004474429.db2.gz PFVPMAKQXHWDFC-QXAKKESOSA-N 1 2 362.518 2.840 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nn(C)c1Cl ZINC001110459276 1004482202 /nfs/dbraw/zinc/48/22/02/1004482202.db2.gz CUXZRTYINPYWDD-OIISXLGYSA-N 1 2 362.905 2.797 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nn(C)c1Cl ZINC001110459276 1004482207 /nfs/dbraw/zinc/48/22/07/1004482207.db2.gz CUXZRTYINPYWDD-OIISXLGYSA-N 1 2 362.905 2.797 20 30 FFEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001193674969 1004546449 /nfs/dbraw/zinc/54/64/49/1004546449.db2.gz NHFLZCYEYGGKAY-PMACEKPBSA-N 1 2 352.434 2.698 20 30 FFEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001193674969 1004546455 /nfs/dbraw/zinc/54/64/55/1004546455.db2.gz NHFLZCYEYGGKAY-PMACEKPBSA-N 1 2 352.434 2.698 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O)C(C)(C)C ZINC001194137795 1004671115 /nfs/dbraw/zinc/67/11/15/1004671115.db2.gz ZQKQEVPPQMPWDK-ZTFGCOKTSA-N 1 2 362.901 2.535 20 30 FFEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O)C(C)(C)C ZINC001194137795 1004671122 /nfs/dbraw/zinc/67/11/22/1004671122.db2.gz ZQKQEVPPQMPWDK-ZTFGCOKTSA-N 1 2 362.901 2.535 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1CCN(c2ccccc2)C1=O ZINC000808147042 1004760064 /nfs/dbraw/zinc/76/00/64/1004760064.db2.gz FNIUVRKTURWUID-UHFFFAOYSA-N 1 2 364.449 2.906 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1CCN(c2ccccc2)C1=O ZINC000808147042 1004760069 /nfs/dbraw/zinc/76/00/69/1004760069.db2.gz FNIUVRKTURWUID-UHFFFAOYSA-N 1 2 364.449 2.906 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001050144753 1016905572 /nfs/dbraw/zinc/90/55/72/1016905572.db2.gz XJPLBYHUWPAPNZ-AITUJVMLSA-N 1 2 371.481 2.566 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001050144753 1016905584 /nfs/dbraw/zinc/90/55/84/1016905584.db2.gz XJPLBYHUWPAPNZ-AITUJVMLSA-N 1 2 371.481 2.566 20 30 FFEDLO C=CCCc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC001194716324 1004801840 /nfs/dbraw/zinc/80/18/40/1004801840.db2.gz AAQMHJLAFXOXPQ-QZTJIDSGSA-N 1 2 366.552 2.663 20 30 FFEDLO C=CCCc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC001194716324 1004801845 /nfs/dbraw/zinc/80/18/45/1004801845.db2.gz AAQMHJLAFXOXPQ-QZTJIDSGSA-N 1 2 366.552 2.663 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cn(C)nc1C(F)F ZINC001110462886 1004841524 /nfs/dbraw/zinc/84/15/24/1004841524.db2.gz IFUATPKIKSJTLZ-OAGGEKHMSA-N 1 2 364.440 2.773 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cn(C)nc1C(F)F ZINC001110462886 1004841529 /nfs/dbraw/zinc/84/15/29/1004841529.db2.gz IFUATPKIKSJTLZ-OAGGEKHMSA-N 1 2 364.440 2.773 20 30 FFEDLO CCc1nnc(C)cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001095641113 1016911579 /nfs/dbraw/zinc/91/15/79/1016911579.db2.gz SLXPELBXQQAEMR-COPCDDAFSA-N 1 2 374.488 2.734 20 30 FFEDLO CCc1nnc(C)cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001095641113 1016911595 /nfs/dbraw/zinc/91/15/95/1016911595.db2.gz SLXPELBXQQAEMR-COPCDDAFSA-N 1 2 374.488 2.734 20 30 FFEDLO CCC[C@H](CC(C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001199252560 1004885128 /nfs/dbraw/zinc/88/51/28/1004885128.db2.gz DEDDTSZNKCDQKW-ZTFGCOKTSA-N 1 2 363.527 2.743 20 30 FFEDLO CCC[C@H](CC(C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001199252560 1004885133 /nfs/dbraw/zinc/88/51/33/1004885133.db2.gz DEDDTSZNKCDQKW-ZTFGCOKTSA-N 1 2 363.527 2.743 20 30 FFEDLO C#C[C@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001195568994 1004999231 /nfs/dbraw/zinc/99/92/31/1004999231.db2.gz UITWUPOLOCQXIR-PXNSSMCTSA-N 1 2 373.928 2.938 20 30 FFEDLO C#C[C@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001195568994 1004999235 /nfs/dbraw/zinc/99/92/35/1004999235.db2.gz UITWUPOLOCQXIR-PXNSSMCTSA-N 1 2 373.928 2.938 20 30 FFEDLO C#C[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)C1 ZINC001195568994 1004999237 /nfs/dbraw/zinc/99/92/37/1004999237.db2.gz UITWUPOLOCQXIR-PXNSSMCTSA-N 1 2 373.928 2.938 20 30 FFEDLO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3O)cc2F)CC1 ZINC001195751857 1005039377 /nfs/dbraw/zinc/03/93/77/1005039377.db2.gz YLSWFKVXFPSEJE-UHFFFAOYSA-N 1 2 368.412 2.797 20 30 FFEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001195885402 1005068634 /nfs/dbraw/zinc/06/86/34/1005068634.db2.gz VUMLHLHJOKQDDO-JKSUJKDBSA-N 1 2 366.502 2.957 20 30 FFEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001195885402 1005068639 /nfs/dbraw/zinc/06/86/39/1005068639.db2.gz VUMLHLHJOKQDDO-JKSUJKDBSA-N 1 2 366.502 2.957 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)s1 ZINC001110546199 1005073079 /nfs/dbraw/zinc/07/30/79/1005073079.db2.gz PYUPKMKRSWJANG-MXYBEHONSA-N 1 2 352.887 2.661 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)s1 ZINC001110546199 1005073083 /nfs/dbraw/zinc/07/30/83/1005073083.db2.gz PYUPKMKRSWJANG-MXYBEHONSA-N 1 2 352.887 2.661 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1Cl ZINC001110547408 1005081354 /nfs/dbraw/zinc/08/13/54/1005081354.db2.gz KDWKBOLWEDUJOS-WNOSKKOXSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1Cl ZINC001110547408 1005081358 /nfs/dbraw/zinc/08/13/58/1005081358.db2.gz KDWKBOLWEDUJOS-WNOSKKOXSA-N 1 2 364.848 2.739 20 30 FFEDLO C=CCCCC(=O)N1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@H]12 ZINC001488239730 1005130606 /nfs/dbraw/zinc/13/06/06/1005130606.db2.gz PZSZRGUDXKSZNJ-RDBAUFEQSA-N 1 2 370.497 2.520 20 30 FFEDLO Cc1cnccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001097044241 1016941423 /nfs/dbraw/zinc/94/14/23/1016941423.db2.gz NCQNWVGSOGKUIQ-NRSPTQNISA-N 1 2 363.436 2.916 20 30 FFEDLO Cc1cnccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001097044241 1016941429 /nfs/dbraw/zinc/94/14/29/1016941429.db2.gz NCQNWVGSOGKUIQ-NRSPTQNISA-N 1 2 363.436 2.916 20 30 FFEDLO Cc1c[nH]nc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001097046660 1016943746 /nfs/dbraw/zinc/94/37/46/1016943746.db2.gz AHROYFMLUZSYKL-KURKYZTESA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1c[nH]nc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001097046660 1016943765 /nfs/dbraw/zinc/94/37/65/1016943765.db2.gz AHROYFMLUZSYKL-KURKYZTESA-N 1 2 368.868 2.758 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001055074153 1016947982 /nfs/dbraw/zinc/94/79/82/1016947982.db2.gz RECCMADRHGEKPU-AABGKKOBSA-N 1 2 374.488 2.797 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F)C1CC1 ZINC001110569312 1005256722 /nfs/dbraw/zinc/25/67/22/1005256722.db2.gz JOQNZDGCZUEQOR-LMCOJAPRSA-N 1 2 371.456 2.734 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F)C1CC1 ZINC001110569312 1005256724 /nfs/dbraw/zinc/25/67/24/1005256724.db2.gz JOQNZDGCZUEQOR-LMCOJAPRSA-N 1 2 371.456 2.734 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F)C1CC1 ZINC001110569396 1005258019 /nfs/dbraw/zinc/25/80/19/1005258019.db2.gz MLAHFPFLWMUHQE-RSPOEFSDSA-N 1 2 371.456 2.734 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F)C1CC1 ZINC001110569396 1005258024 /nfs/dbraw/zinc/25/80/24/1005258024.db2.gz MLAHFPFLWMUHQE-RSPOEFSDSA-N 1 2 371.456 2.734 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CCCC(C)=O)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001489104015 1005410016 /nfs/dbraw/zinc/41/00/16/1005410016.db2.gz SOMRGVJTZGDDIR-RBUKOAKNSA-N 1 2 359.445 2.926 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CCCC(C)=O)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001489104015 1005410018 /nfs/dbraw/zinc/41/00/18/1005410018.db2.gz SOMRGVJTZGDDIR-RBUKOAKNSA-N 1 2 359.445 2.926 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CCCS(=O)(=O)C(C)C)[C@@H]2C)CCC1 ZINC001489288792 1005449717 /nfs/dbraw/zinc/44/97/17/1005449717.db2.gz MRESFAFMSJTVGY-SJORKVTESA-N 1 2 370.559 2.525 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](CCCS(=O)(=O)C(C)C)[C@@H]2C)CCC1 ZINC001489288792 1005449719 /nfs/dbraw/zinc/44/97/19/1005449719.db2.gz MRESFAFMSJTVGY-SJORKVTESA-N 1 2 370.559 2.525 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cnn(C2CCC2)c1 ZINC001097071118 1016978694 /nfs/dbraw/zinc/97/86/94/1016978694.db2.gz JEUISOLVIDBRGO-VSKRKVRLSA-N 1 2 374.488 2.995 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cnn(C2CCC2)c1 ZINC001097071118 1016978707 /nfs/dbraw/zinc/97/87/07/1016978707.db2.gz JEUISOLVIDBRGO-VSKRKVRLSA-N 1 2 374.488 2.995 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001490615717 1005745437 /nfs/dbraw/zinc/74/54/37/1005745437.db2.gz VFVCWXVDRQJNLM-JHNDHUHGSA-N 1 2 370.497 2.680 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3nnc(-c4cccs4)o3)C[C@H]21 ZINC001187209875 1005978722 /nfs/dbraw/zinc/97/87/22/1005978722.db2.gz QRYALIRIEIDQKE-UONOGXRCSA-N 1 2 358.467 2.797 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(-c4cccs4)o3)C[C@H]21 ZINC001187209875 1005978729 /nfs/dbraw/zinc/97/87/29/1005978729.db2.gz QRYALIRIEIDQKE-UONOGXRCSA-N 1 2 358.467 2.797 20 30 FFEDLO COc1ccc(CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)cc1F ZINC000129170460 1006191756 /nfs/dbraw/zinc/19/17/56/1006191756.db2.gz SWSHUDDUEFAGQI-UHFFFAOYSA-N 1 2 373.428 2.504 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4ccccc4)no3)C[C@H]21 ZINC001187707115 1006209227 /nfs/dbraw/zinc/20/92/27/1006209227.db2.gz YTKZDEZDVZETCW-ZWKOTPCHSA-N 1 2 364.449 2.573 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4ccccc4)no3)C[C@H]21 ZINC001187707115 1006209229 /nfs/dbraw/zinc/20/92/29/1006209229.db2.gz YTKZDEZDVZETCW-ZWKOTPCHSA-N 1 2 364.449 2.573 20 30 FFEDLO Cc1ccc2c(c1)C[N@@H+](CN1CC(=O)N(Cc3ccc(C#N)cc3)C1=O)CC2 ZINC000853533429 1006432277 /nfs/dbraw/zinc/43/22/77/1006432277.db2.gz GZBOJGBOQFRXAW-UHFFFAOYSA-N 1 2 374.444 2.647 20 30 FFEDLO Cc1ccc2c(c1)C[N@H+](CN1CC(=O)N(Cc3ccc(C#N)cc3)C1=O)CC2 ZINC000853533429 1006432283 /nfs/dbraw/zinc/43/22/83/1006432283.db2.gz GZBOJGBOQFRXAW-UHFFFAOYSA-N 1 2 374.444 2.647 20 30 FFEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000853629800 1006484893 /nfs/dbraw/zinc/48/48/93/1006484893.db2.gz LBXCGQIMQLGSLT-XIKOKIGWSA-N 1 2 361.396 2.827 20 30 FFEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000853629800 1006484896 /nfs/dbraw/zinc/48/48/96/1006484896.db2.gz LBXCGQIMQLGSLT-XIKOKIGWSA-N 1 2 361.396 2.827 20 30 FFEDLO COC[C@H](CO[NH+]=C(N)c1ccc(COc2ccccc2F)cc1)OC ZINC000853659077 1006495346 /nfs/dbraw/zinc/49/53/46/1006495346.db2.gz ZOQSRIHBRURLMF-MRXNPFEDSA-N 1 2 362.401 2.703 20 30 FFEDLO Cc1nocc1CO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000853690029 1006506242 /nfs/dbraw/zinc/50/62/42/1006506242.db2.gz ZBMZMPDWGPIUHY-UHFFFAOYSA-N 1 2 360.414 2.845 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)CC(F)F)[C@@H]2C1 ZINC001188593714 1006642259 /nfs/dbraw/zinc/64/22/59/1006642259.db2.gz HYKWAJFADWHOID-ZMLRMANQSA-N 1 2 351.235 2.719 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)CC(F)F)[C@@H]2C1 ZINC001188593714 1006642264 /nfs/dbraw/zinc/64/22/64/1006642264.db2.gz HYKWAJFADWHOID-ZMLRMANQSA-N 1 2 351.235 2.719 20 30 FFEDLO N#CC1(CCCOC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000800173542 1007190360 /nfs/dbraw/zinc/19/03/60/1007190360.db2.gz RYJYVTKKALNGJD-LJQANCHMSA-N 1 2 372.465 2.531 20 30 FFEDLO N#CC1(CCCOC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000800173542 1007190367 /nfs/dbraw/zinc/19/03/67/1007190367.db2.gz RYJYVTKKALNGJD-LJQANCHMSA-N 1 2 372.465 2.531 20 30 FFEDLO CC(C)OC[C@@H](O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000133615718 1007213247 /nfs/dbraw/zinc/21/32/47/1007213247.db2.gz IVQFGYCHFUHHNK-GOSISDBHSA-N 1 2 358.438 2.688 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000884122787 1007255845 /nfs/dbraw/zinc/25/58/45/1007255845.db2.gz ZIURZGRYWAFMMS-LSDHHAIUSA-N 1 2 370.371 2.816 20 30 FFEDLO Cc1cccn2cc(CC(=O)N3CCC[C@](C#N)(c4ccccn4)C3)[nH+]c12 ZINC000855308070 1007266158 /nfs/dbraw/zinc/26/61/58/1007266158.db2.gz VNPFAGHSHDXXSS-OAQYLSRUSA-N 1 2 359.433 2.664 20 30 FFEDLO N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(F)c2)c[nH]1 ZINC001095329342 1007439483 /nfs/dbraw/zinc/43/94/83/1007439483.db2.gz HYOBBYVGJQHORY-JLSDUUJJSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(F)c2)c[nH]1 ZINC001095329342 1007439492 /nfs/dbraw/zinc/43/94/92/1007439492.db2.gz HYOBBYVGJQHORY-JLSDUUJJSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(O)ccc2Cl)[nH]1 ZINC001095329426 1007446832 /nfs/dbraw/zinc/44/68/32/1007446832.db2.gz LLZSSPFSYHMJJI-BVGQSLNGSA-N 1 2 370.840 2.781 20 30 FFEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(O)ccc2Cl)[nH]1 ZINC001095329426 1007446841 /nfs/dbraw/zinc/44/68/41/1007446841.db2.gz LLZSSPFSYHMJJI-BVGQSLNGSA-N 1 2 370.840 2.781 20 30 FFEDLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)/C=C/c2ccccc2C#N)C1 ZINC000856328415 1007771437 /nfs/dbraw/zinc/77/14/37/1007771437.db2.gz UKNYXMRHZDJAEJ-LEQVUBRHSA-N 1 2 374.488 2.504 20 30 FFEDLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)/C=C/c2ccccc2C#N)C1 ZINC000856328415 1007771448 /nfs/dbraw/zinc/77/14/48/1007771448.db2.gz UKNYXMRHZDJAEJ-LEQVUBRHSA-N 1 2 374.488 2.504 20 30 FFEDLO C=CC[C@@]1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CCCN1C(=O)OC(C)(C)C ZINC000857947745 1008257427 /nfs/dbraw/zinc/25/74/27/1008257427.db2.gz VHVALDZVDOMVGA-YWZLYKJASA-N 1 2 374.485 2.660 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)OCc1cccc2[nH+]ccn21 ZINC000820331646 1008319993 /nfs/dbraw/zinc/31/99/93/1008319993.db2.gz NRGRDRSZFGDRSQ-OAHLLOKOSA-N 1 2 372.425 2.965 20 30 FFEDLO C#C[C@@H](NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)c1ccc(Cl)cc1 ZINC000820565832 1008349218 /nfs/dbraw/zinc/34/92/18/1008349218.db2.gz WIAOMFGSZDAGDT-QGZVFWFLSA-N 1 2 369.856 2.645 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)CC1CCCCC1)C2 ZINC001110205006 1008588478 /nfs/dbraw/zinc/58/84/78/1008588478.db2.gz ACNJMHHIWYCRNC-IKGGRYGDSA-N 1 2 367.921 2.547 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)CC1CCCCC1)C2 ZINC001110205006 1008588493 /nfs/dbraw/zinc/58/84/93/1008588493.db2.gz ACNJMHHIWYCRNC-IKGGRYGDSA-N 1 2 367.921 2.547 20 30 FFEDLO CC(C)c1ocnc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2 ZINC001095337070 1008638825 /nfs/dbraw/zinc/63/88/25/1008638825.db2.gz DPUUOHBTZGOXRK-VYDXJSESSA-N 1 2 353.426 2.533 20 30 FFEDLO CC(C)c1ocnc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2 ZINC001095337070 1008638832 /nfs/dbraw/zinc/63/88/32/1008638832.db2.gz DPUUOHBTZGOXRK-VYDXJSESSA-N 1 2 353.426 2.533 20 30 FFEDLO C#CC[N@H+](Cc1cc2n(n1)CCC2)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426335 1008676235 /nfs/dbraw/zinc/67/62/35/1008676235.db2.gz SPHXXDKZJHRXEH-UHFFFAOYSA-N 1 2 358.486 2.664 20 30 FFEDLO C#CC[N@@H+](Cc1cc2n(n1)CCC2)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426335 1008676242 /nfs/dbraw/zinc/67/62/42/1008676242.db2.gz SPHXXDKZJHRXEH-UHFFFAOYSA-N 1 2 358.486 2.664 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(F)cn2)C3)c(F)c1 ZINC001095341874 1008758630 /nfs/dbraw/zinc/75/86/30/1008758630.db2.gz XXQKIVDBSVXZQU-MNEFBYGVSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(F)cn2)C3)c(F)c1 ZINC001095341874 1008758641 /nfs/dbraw/zinc/75/86/41/1008758641.db2.gz XXQKIVDBSVXZQU-MNEFBYGVSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2cccnc2)C3)c1 ZINC001095316184 1008795260 /nfs/dbraw/zinc/79/52/60/1008795260.db2.gz IQJWHKXVWJQZRY-HOJAQTOUSA-N 1 2 364.424 2.557 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2cccnc2)C3)c1 ZINC001095316184 1008795269 /nfs/dbraw/zinc/79/52/69/1008795269.db2.gz IQJWHKXVWJQZRY-HOJAQTOUSA-N 1 2 364.424 2.557 20 30 FFEDLO C=CCCCC(=O)N1CC2(CCN(c3cc[nH+]c(C)n3)CC2)[C@H]2COC[C@H]21 ZINC001090645047 1008865175 /nfs/dbraw/zinc/86/51/75/1008865175.db2.gz HAOYVGVKOXUHAL-ZWKOTPCHSA-N 1 2 370.497 2.585 20 30 FFEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)CC1 ZINC000886771643 1008872087 /nfs/dbraw/zinc/87/20/87/1008872087.db2.gz LEQIKIUPUSDTKR-UHFFFAOYSA-N 1 2 372.444 2.661 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCOCC2)C3)c1 ZINC001095368793 1009049915 /nfs/dbraw/zinc/04/99/15/1009049915.db2.gz PYBDTZLMGNUNSD-BEKAIBRUSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCOCC2)C3)c1 ZINC001095368793 1009049926 /nfs/dbraw/zinc/04/99/26/1009049926.db2.gz PYBDTZLMGNUNSD-BEKAIBRUSA-N 1 2 371.456 2.736 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001092894347 1009360373 /nfs/dbraw/zinc/36/03/73/1009360373.db2.gz CFYBOXRFAFYGQL-MXTNKPTQSA-N 1 2 372.513 2.802 20 30 FFEDLO C=CCCOCC(=O)N[C@]12CCC[C@H]1CN(c1cc(C)[nH+]c(C3CC3)n1)C2 ZINC001093088270 1009863750 /nfs/dbraw/zinc/86/37/50/1009863750.db2.gz BNFWIBGMLDPEKL-UWJYYQICSA-N 1 2 370.497 2.730 20 30 FFEDLO C=CCC[C@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)C(=O)OCC ZINC001181827031 1010271858 /nfs/dbraw/zinc/27/18/58/1010271858.db2.gz JFWJCOMGLNULRH-HVEKOLDVSA-N 1 2 352.475 2.873 20 30 FFEDLO COc1cc(C[C@H](CO)C[NH2+][C@@H](C)c2cccc(C#N)c2O)cc(OC)c1 ZINC000866277702 1010967994 /nfs/dbraw/zinc/96/79/94/1010967994.db2.gz HBSSEWYOIPARPL-HOCLYGCPSA-N 1 2 370.449 2.783 20 30 FFEDLO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(C#N)c1O ZINC000866339053 1010980341 /nfs/dbraw/zinc/98/03/41/1010980341.db2.gz CHXPAVAKZWOSSK-CQSZACIVSA-N 1 2 371.462 2.655 20 30 FFEDLO COc1ccc(C[C@](C)(O)C[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1OC ZINC000866361156 1010983563 /nfs/dbraw/zinc/98/35/63/1010983563.db2.gz KECMHEALVNYTSJ-QKKBWIMNSA-N 1 2 370.449 2.925 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH2+]C[C@H]2C#N)C[C@@H]1C(C)(C)C ZINC001171602266 1011399301 /nfs/dbraw/zinc/39/93/01/1011399301.db2.gz RVVQJPOJUVEINA-ARFHVFGLSA-N 1 2 350.507 2.598 20 30 FFEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172081171 1011617180 /nfs/dbraw/zinc/61/71/80/1011617180.db2.gz SUVOGMVKFBORQJ-XQLPTFJDSA-N 1 2 372.531 2.758 20 30 FFEDLO CCOCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(F)cc1C#N ZINC001275033912 1011839131 /nfs/dbraw/zinc/83/91/31/1011839131.db2.gz FDMSJGFBRKQNJL-FQEVSTJZSA-N 1 2 359.445 2.691 20 30 FFEDLO CCOCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(F)cc1C#N ZINC001275033912 1011839149 /nfs/dbraw/zinc/83/91/49/1011839149.db2.gz FDMSJGFBRKQNJL-FQEVSTJZSA-N 1 2 359.445 2.691 20 30 FFEDLO CCCCCCC[N@@H+]1C[C@]2(F)CN(Cc3cc(C)nn3C)C(=O)[C@]2(F)C1 ZINC001275113486 1011955187 /nfs/dbraw/zinc/95/51/87/1011955187.db2.gz CLWUCJCYGSWXNL-RBUKOAKNSA-N 1 2 368.472 2.773 20 30 FFEDLO CCCCCCC[N@H+]1C[C@]2(F)CN(Cc3cc(C)nn3C)C(=O)[C@]2(F)C1 ZINC001275113486 1011955198 /nfs/dbraw/zinc/95/51/98/1011955198.db2.gz CLWUCJCYGSWXNL-RBUKOAKNSA-N 1 2 368.472 2.773 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3nc(C(F)(F)F)cs3)CC2)C1=O ZINC001275206407 1012082099 /nfs/dbraw/zinc/08/20/99/1012082099.db2.gz JGRBNRHKADAVJH-INIZCTEOSA-N 1 2 371.428 3.000 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+](Cc3nc(C(F)(F)F)cs3)CC2)C1=O ZINC001275206407 1012082107 /nfs/dbraw/zinc/08/21/07/1012082107.db2.gz JGRBNRHKADAVJH-INIZCTEOSA-N 1 2 371.428 3.000 20 30 FFEDLO CC(=O)[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(C#N)ccc1Cl)CC2 ZINC001275234515 1012122520 /nfs/dbraw/zinc/12/25/20/1012122520.db2.gz PANWKHYICJWUFS-GUYCJALGSA-N 1 2 373.884 2.907 20 30 FFEDLO N#Cc1c(F)cc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)cc1F ZINC001275283335 1012197881 /nfs/dbraw/zinc/19/78/81/1012197881.db2.gz WKZWACRFONDYOJ-HUUCEWRRSA-N 1 2 355.335 2.667 20 30 FFEDLO N#Cc1c(F)cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)cc1F ZINC001275283335 1012197894 /nfs/dbraw/zinc/19/78/94/1012197894.db2.gz WKZWACRFONDYOJ-HUUCEWRRSA-N 1 2 355.335 2.667 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Br)ccn1 ZINC001275283103 1012198505 /nfs/dbraw/zinc/19/85/05/1012198505.db2.gz ZSMLAGBGHLHCOT-QGZVFWFLSA-N 1 2 364.287 2.987 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Br)ccn1 ZINC001275283103 1012198519 /nfs/dbraw/zinc/19/85/19/1012198519.db2.gz ZSMLAGBGHLHCOT-QGZVFWFLSA-N 1 2 364.287 2.987 20 30 FFEDLO C=CCCCCCCCC[NH+]1CC2(C1)COCC(=O)N2[C@H](C)C(C)=O ZINC001275336925 1012326249 /nfs/dbraw/zinc/32/62/49/1012326249.db2.gz MCSRXLFAJYJBCX-QGZVFWFLSA-N 1 2 350.503 2.794 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCO[C@H]2C)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000647403454 1012466430 /nfs/dbraw/zinc/46/64/30/1012466430.db2.gz KOUBEBYYIVEHDG-WMZOPIPTSA-N 1 2 371.485 2.662 20 30 FFEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)cnc1Cl)CC2 ZINC001275538222 1012594466 /nfs/dbraw/zinc/59/44/66/1012594466.db2.gz BHDZYXNGEGVNNV-CQSZACIVSA-N 1 2 352.265 2.740 20 30 FFEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(Cl)ccnc1Cl)CC2 ZINC001275597427 1012666169 /nfs/dbraw/zinc/66/61/69/1012666169.db2.gz GQEKUYFCXXLUKR-ZDUSSCGKSA-N 1 2 352.265 2.740 20 30 FFEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3cc(C(F)(F)F)ccc3F)C2)OCC1=O ZINC001275705583 1012888194 /nfs/dbraw/zinc/88/81/94/1012888194.db2.gz OSWPZFMYLNSFRY-QGZVFWFLSA-N 1 2 372.362 2.834 20 30 FFEDLO C=CCN1C[C@]2(CC[N@H+](Cc3cc(C(F)(F)F)ccc3F)C2)OCC1=O ZINC001275705583 1012888212 /nfs/dbraw/zinc/88/82/12/1012888212.db2.gz OSWPZFMYLNSFRY-QGZVFWFLSA-N 1 2 372.362 2.834 20 30 FFEDLO Cc1ccncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001095264510 1013005237 /nfs/dbraw/zinc/00/52/37/1013005237.db2.gz QCAAEKLLDVOEHE-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1ccncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001095264510 1013005254 /nfs/dbraw/zinc/00/52/54/1013005254.db2.gz QCAAEKLLDVOEHE-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccn3ccnc13)C2 ZINC001098029577 1017119109 /nfs/dbraw/zinc/11/91/09/1017119109.db2.gz XKMHKIGSTYMOJJ-RLLQIKCJSA-N 1 2 371.444 2.741 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccn3ccnc13)C2 ZINC001098029577 1017119114 /nfs/dbraw/zinc/11/91/14/1017119114.db2.gz XKMHKIGSTYMOJJ-RLLQIKCJSA-N 1 2 371.444 2.741 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC(C)(C)C ZINC001110888755 1017224207 /nfs/dbraw/zinc/22/42/07/1017224207.db2.gz TUYGDIXZXYTRCC-ZACQAIPSSA-N 1 2 363.546 2.863 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC(C)(C)C ZINC001110888755 1017224216 /nfs/dbraw/zinc/22/42/16/1017224216.db2.gz TUYGDIXZXYTRCC-ZACQAIPSSA-N 1 2 363.546 2.863 20 30 FFEDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000748457145 1017271627 /nfs/dbraw/zinc/27/16/27/1017271627.db2.gz FVURQIAABOPLMF-FQEVSTJZSA-N 1 2 350.418 2.989 20 30 FFEDLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000748457145 1017271634 /nfs/dbraw/zinc/27/16/34/1017271634.db2.gz FVURQIAABOPLMF-FQEVSTJZSA-N 1 2 350.418 2.989 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1coc(C2CC2)n1 ZINC001097987593 1017375957 /nfs/dbraw/zinc/37/59/57/1017375957.db2.gz FUHNVLORIRXFCK-GGPKGHCWSA-N 1 2 361.445 2.939 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1coc(C2CC2)n1 ZINC001097987593 1017375967 /nfs/dbraw/zinc/37/59/67/1017375967.db2.gz FUHNVLORIRXFCK-GGPKGHCWSA-N 1 2 361.445 2.939 20 30 FFEDLO CCc1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001097408528 1017441995 /nfs/dbraw/zinc/44/19/95/1017441995.db2.gz MTNWWNBLOVFAQO-ZMYBRWDISA-N 1 2 367.428 2.518 20 30 FFEDLO CCc1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001097408528 1017442005 /nfs/dbraw/zinc/44/20/05/1017442005.db2.gz MTNWWNBLOVFAQO-ZMYBRWDISA-N 1 2 367.428 2.518 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]13CCC[C@H]1OCC3)C2 ZINC001097519874 1017563462 /nfs/dbraw/zinc/56/34/62/1017563462.db2.gz FIWAPNFTLIJVPJ-JPVHLGFFSA-N 1 2 365.477 2.739 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]13CCC[C@H]1OCC3)C2 ZINC001097519874 1017563466 /nfs/dbraw/zinc/56/34/66/1017563466.db2.gz FIWAPNFTLIJVPJ-JPVHLGFFSA-N 1 2 365.477 2.739 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC(=O)Nc3ccccc31)C2 ZINC001097611244 1017697321 /nfs/dbraw/zinc/69/73/21/1017697321.db2.gz ZECMKVUTSRTLON-WNOSKKOXSA-N 1 2 359.857 2.586 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC(=O)Nc3ccccc31)C2 ZINC001097611244 1017697327 /nfs/dbraw/zinc/69/73/27/1017697327.db2.gz ZECMKVUTSRTLON-WNOSKKOXSA-N 1 2 359.857 2.586 20 30 FFEDLO COc1ccnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)c1 ZINC001097632087 1017729911 /nfs/dbraw/zinc/72/99/11/1017729911.db2.gz FZPDTZCHDGQAAZ-NJAPINKUSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1ccnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)c1 ZINC001097632087 1017729922 /nfs/dbraw/zinc/72/99/22/1017729922.db2.gz FZPDTZCHDGQAAZ-NJAPINKUSA-N 1 2 368.462 2.559 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](Cc2ccnc(C)c2)Cc2nnn(CC3CC3)c21 ZINC001137409899 1017973470 /nfs/dbraw/zinc/97/34/70/1017973470.db2.gz LTDGONQEUADZDV-GOSISDBHSA-N 1 2 353.470 2.694 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](Cc2ccnc(C)c2)Cc2nnn(CC3CC3)c21 ZINC001137409899 1017973478 /nfs/dbraw/zinc/97/34/78/1017973478.db2.gz LTDGONQEUADZDV-GOSISDBHSA-N 1 2 353.470 2.694 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CCC2)C[C@H]1Nc1cccc(F)c1C#N ZINC001052714539 1018053466 /nfs/dbraw/zinc/05/34/66/1018053466.db2.gz UJSRNASXNJQTOD-CRAIPNDOSA-N 1 2 367.428 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(F)c1 ZINC001097879275 1018145964 /nfs/dbraw/zinc/14/59/64/1018145964.db2.gz JQQQPWNCKBKMNC-ACJWMLNOSA-N 1 2 362.420 2.777 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(F)c1 ZINC001097879275 1018145972 /nfs/dbraw/zinc/14/59/72/1018145972.db2.gz JQQQPWNCKBKMNC-ACJWMLNOSA-N 1 2 362.420 2.777 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001053158597 1018199271 /nfs/dbraw/zinc/19/92/71/1018199271.db2.gz XQKUHSMUTGOXSS-DDBAPUKQSA-N 1 2 372.513 2.688 20 30 FFEDLO Cc1nc(NCC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C)ccc1C#N ZINC001053362799 1018266109 /nfs/dbraw/zinc/26/61/09/1018266109.db2.gz CRUGFJYSKDKULE-RHSMWYFYSA-N 1 2 366.469 2.514 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)no3)C[C@@H]21 ZINC001217494120 1032756570 /nfs/dbraw/zinc/75/65/70/1032756570.db2.gz WQYQVMYWMJJQGB-VQTJNVASSA-N 1 2 367.449 2.719 20 30 FFEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)no3)C[C@@H]21 ZINC001217494120 1032756575 /nfs/dbraw/zinc/75/65/75/1032756575.db2.gz WQYQVMYWMJJQGB-VQTJNVASSA-N 1 2 367.449 2.719 20 30 FFEDLO Cc1ccc(CN(C(=O)CO[NH+]=C(N)c2ccc(F)cc2)C2CC2)cc1 ZINC000749133598 1018363845 /nfs/dbraw/zinc/36/38/45/1018363845.db2.gz AZGHCNKRHRPOKC-UHFFFAOYSA-N 1 2 355.413 2.962 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1)O2 ZINC001053675354 1018410631 /nfs/dbraw/zinc/41/06/31/1018410631.db2.gz MPLPEIFHZNMVJJ-SLFFLAALSA-N 1 2 370.493 2.724 20 30 FFEDLO CC(C)[C@H](C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001217510378 1032764430 /nfs/dbraw/zinc/76/44/30/1032764430.db2.gz JCHPKJDQHPVXOV-FHLIZLRMSA-N 1 2 361.511 2.714 20 30 FFEDLO CC(C)[C@H](C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001217510378 1032764443 /nfs/dbraw/zinc/76/44/43/1032764443.db2.gz JCHPKJDQHPVXOV-FHLIZLRMSA-N 1 2 361.511 2.714 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCC1 ZINC001110934892 1018710567 /nfs/dbraw/zinc/71/05/67/1018710567.db2.gz QEIWYOMBSGMVAU-OWYHZJEWSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCC1 ZINC001110934892 1018710574 /nfs/dbraw/zinc/71/05/74/1018710574.db2.gz QEIWYOMBSGMVAU-OWYHZJEWSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1ccco1 ZINC001110934929 1018711420 /nfs/dbraw/zinc/71/14/20/1018711420.db2.gz ROXMIWQDWNVJJA-ISARSNTHSA-N 1 2 373.497 2.562 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1ccco1 ZINC001110934929 1018711423 /nfs/dbraw/zinc/71/14/23/1018711423.db2.gz ROXMIWQDWNVJJA-ISARSNTHSA-N 1 2 373.497 2.562 20 30 FFEDLO CCn1c[nH+]cc1/C=C\C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000901428181 1019075658 /nfs/dbraw/zinc/07/56/58/1019075658.db2.gz WEYSCQZXHYAQIE-FLIBITNWSA-N 1 2 373.478 2.974 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001047675204 1019495769 /nfs/dbraw/zinc/49/57/69/1019495769.db2.gz MYHSHQDUYGFFMY-QKLQHJQFSA-N 1 2 368.485 2.527 20 30 FFEDLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2cccc(Cl)c2)CCOC1 ZINC001096244832 1019581419 /nfs/dbraw/zinc/58/14/19/1019581419.db2.gz ZEZPLPMBPXCYRL-JKBKZWBZSA-N 1 2 372.896 2.840 20 30 FFEDLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2cccc(Cl)c2)CCOC1 ZINC001096244832 1019581435 /nfs/dbraw/zinc/58/14/35/1019581435.db2.gz ZEZPLPMBPXCYRL-JKBKZWBZSA-N 1 2 372.896 2.840 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(F)c2)c1 ZINC001095987337 1019706309 /nfs/dbraw/zinc/70/63/09/1019706309.db2.gz DCGVQHXKKBUOTF-UXPWSPDFSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(F)c2)c1 ZINC001095987337 1019706322 /nfs/dbraw/zinc/70/63/22/1019706322.db2.gz DCGVQHXKKBUOTF-UXPWSPDFSA-N 1 2 367.399 2.876 20 30 FFEDLO N#Cc1ccc(OCc2ccc(C(=O)O[C@H]3CC[N@@H+](CCF)C3)o2)cc1 ZINC000802231649 1019913805 /nfs/dbraw/zinc/91/38/05/1019913805.db2.gz KERPULYMHLAKFG-INIZCTEOSA-N 1 2 358.369 2.931 20 30 FFEDLO N#Cc1ccc(OCc2ccc(C(=O)O[C@H]3CC[N@H+](CCF)C3)o2)cc1 ZINC000802231649 1019913816 /nfs/dbraw/zinc/91/38/16/1019913816.db2.gz KERPULYMHLAKFG-INIZCTEOSA-N 1 2 358.369 2.931 20 30 FFEDLO Cc1conc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001096293595 1019952804 /nfs/dbraw/zinc/95/28/04/1019952804.db2.gz PISKOIUMLLGVDO-PVAVHDDUSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1conc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001096293595 1019952812 /nfs/dbraw/zinc/95/28/12/1019952812.db2.gz PISKOIUMLLGVDO-PVAVHDDUSA-N 1 2 354.385 2.529 20 30 FFEDLO CC1(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001045568153 1020035953 /nfs/dbraw/zinc/03/59/53/1020035953.db2.gz ZQCFZCSXBABAAE-QRVBRYPASA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CCCC[C@H]2NC(=O)c2cccc3[nH+]ccn32)nc1 ZINC001045665902 1020082115 /nfs/dbraw/zinc/08/21/15/1020082115.db2.gz OKEOCHMENFBSKD-HZPDHXFCSA-N 1 2 360.421 2.754 20 30 FFEDLO COc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)n1 ZINC001098135678 1020238013 /nfs/dbraw/zinc/23/80/13/1020238013.db2.gz FLYUDDKTZQJCRB-JLZZUVOBSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)n1 ZINC001098135678 1020238028 /nfs/dbraw/zinc/23/80/28/1020238028.db2.gz FLYUDDKTZQJCRB-JLZZUVOBSA-N 1 2 368.462 2.559 20 30 FFEDLO Cc1cccc(C[N@H+](C)CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)c1 ZINC000725769917 1020255420 /nfs/dbraw/zinc/25/54/20/1020255420.db2.gz MXIGWXWRFAKJRR-OAQYLSRUSA-N 1 2 362.433 2.723 20 30 FFEDLO Cc1cccc(C[N@@H+](C)CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)c1 ZINC000725769917 1020255424 /nfs/dbraw/zinc/25/54/24/1020255424.db2.gz MXIGWXWRFAKJRR-OAQYLSRUSA-N 1 2 362.433 2.723 20 30 FFEDLO C=CC[N@H+](CN1C(=O)N[C@](C)(CCc2ccc3c(c2)OCO3)C1=O)C(C)C ZINC000725769852 1020255846 /nfs/dbraw/zinc/25/58/46/1020255846.db2.gz MIKJNJHIUWMYAH-HXUWFJFHSA-N 1 2 373.453 2.512 20 30 FFEDLO C=CC[N@@H+](CN1C(=O)N[C@](C)(CCc2ccc3c(c2)OCO3)C1=O)C(C)C ZINC000725769852 1020255857 /nfs/dbraw/zinc/25/58/57/1020255857.db2.gz MIKJNJHIUWMYAH-HXUWFJFHSA-N 1 2 373.453 2.512 20 30 FFEDLO CC(C)OCc1noc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)n1 ZINC000931021262 1020287335 /nfs/dbraw/zinc/28/73/35/1020287335.db2.gz GTMQSNMLVMOSSB-UHFFFAOYSA-N 1 2 356.426 2.662 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(F)c2F)cn1 ZINC001096382072 1020303196 /nfs/dbraw/zinc/30/31/96/1020303196.db2.gz AIKFRSPIMHVQLS-NEWSRXKRSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(F)c2F)cn1 ZINC001096382072 1020303204 /nfs/dbraw/zinc/30/32/04/1020303204.db2.gz AIKFRSPIMHVQLS-NEWSRXKRSA-N 1 2 367.399 2.876 20 30 FFEDLO Cc1ccccc1[C@H]1CC(=O)N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1 ZINC000902599760 1020330988 /nfs/dbraw/zinc/33/09/88/1020330988.db2.gz JIGCERDRTQNFIJ-KRWDZBQOSA-N 1 2 354.450 2.606 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC3CCCC3)n2Cc2cccs2)CC1 ZINC000802700280 1020335856 /nfs/dbraw/zinc/33/58/56/1020335856.db2.gz NYRGHBLFOYVWCK-UHFFFAOYSA-N 1 2 369.538 2.876 20 30 FFEDLO Cn1cc[nH+]c1CCCOC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000802786305 1020405086 /nfs/dbraw/zinc/40/50/86/1020405086.db2.gz OFDBWIWAIBFLTI-UHFFFAOYSA-N 1 2 370.428 2.823 20 30 FFEDLO C#Cc1cccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000726448635 1020466429 /nfs/dbraw/zinc/46/64/29/1020466429.db2.gz QQNGNCOCFVGPLQ-UHFFFAOYSA-N 1 2 365.502 2.987 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(OC)c1OC)C2 ZINC001096421487 1020497554 /nfs/dbraw/zinc/49/75/54/1020497554.db2.gz MJPFBVKUXVBZRH-SNPRPXQTSA-N 1 2 350.846 2.791 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(OC)c1OC)C2 ZINC001096421487 1020497559 /nfs/dbraw/zinc/49/75/59/1020497559.db2.gz MJPFBVKUXVBZRH-SNPRPXQTSA-N 1 2 350.846 2.791 20 30 FFEDLO Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@H]2Nc2cnc(C#N)cn2)c(C)[nH+]1 ZINC001046212216 1020544367 /nfs/dbraw/zinc/54/43/67/1020544367.db2.gz VRSMQPWDJBHWCX-IAGOWNOFSA-N 1 2 364.453 2.822 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001098286454 1020793704 /nfs/dbraw/zinc/79/37/04/1020793704.db2.gz GBTRXTLBXMFIPO-NJYVYQBISA-N 1 2 363.436 2.666 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001098286454 1020793713 /nfs/dbraw/zinc/79/37/13/1020793713.db2.gz GBTRXTLBXMFIPO-NJYVYQBISA-N 1 2 363.436 2.666 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc3ccccc31)C2 ZINC001098319236 1020820191 /nfs/dbraw/zinc/82/01/91/1020820191.db2.gz JJGPZRJDZOKELN-AHRSYUTCSA-N 1 2 371.444 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc3ccccc31)C2 ZINC001098319236 1020820198 /nfs/dbraw/zinc/82/01/98/1020820198.db2.gz JJGPZRJDZOKELN-AHRSYUTCSA-N 1 2 371.444 2.970 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCOC[C@@H]1C[C@H]1CCOC1)c1ccccc1 ZINC000933678166 1021067866 /nfs/dbraw/zinc/06/78/66/1021067866.db2.gz YNLZMGZILHUYPI-HLAWJBBLSA-N 1 2 356.466 2.554 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCOC[C@@H]1C[C@H]1CCOC1)c1ccccc1 ZINC000933678166 1021067871 /nfs/dbraw/zinc/06/78/71/1021067871.db2.gz YNLZMGZILHUYPI-HLAWJBBLSA-N 1 2 356.466 2.554 20 30 FFEDLO Cc1nc(O[C@@H]2CC[NH2+]CC2(F)F)c(C#N)cc1-c1ccc2nccn2c1 ZINC001218011039 1032952599 /nfs/dbraw/zinc/95/25/99/1032952599.db2.gz SYOWOKNARNZRQV-MRXNPFEDSA-N 1 2 369.375 2.952 20 30 FFEDLO COc1cccc(CN(C)C(=O)C[N@H+](C)Cc2cc(C#N)cs2)c1OC ZINC000933778978 1021089320 /nfs/dbraw/zinc/08/93/20/1021089320.db2.gz ULRVTORXHQIKMN-UHFFFAOYSA-N 1 2 373.478 2.727 20 30 FFEDLO COc1cccc(CN(C)C(=O)C[N@@H+](C)Cc2cc(C#N)cs2)c1OC ZINC000933778978 1021089327 /nfs/dbraw/zinc/08/93/27/1021089327.db2.gz ULRVTORXHQIKMN-UHFFFAOYSA-N 1 2 373.478 2.727 20 30 FFEDLO Cc1nc(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cc(F)ccc2C#N)C3)co1 ZINC001098806935 1021167974 /nfs/dbraw/zinc/16/79/74/1021167974.db2.gz FTRYUUCOJMQXRT-JXFKEZNVSA-N 1 2 368.412 2.778 20 30 FFEDLO Cc1nc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cc(F)ccc2C#N)C3)co1 ZINC001098806935 1021167979 /nfs/dbraw/zinc/16/79/79/1021167979.db2.gz FTRYUUCOJMQXRT-JXFKEZNVSA-N 1 2 368.412 2.778 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2C(=O)OCc2ccccc2)CC1 ZINC001149075586 1021339615 /nfs/dbraw/zinc/33/96/15/1021339615.db2.gz DEBXTUGSHJQJAR-UHFFFAOYSA-N 1 2 364.445 2.987 20 30 FFEDLO Cc1nocc1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001099005041 1021577755 /nfs/dbraw/zinc/57/77/55/1021577755.db2.gz POHUXNVJNGRALX-JXFKEZNVSA-N 1 2 368.412 2.778 20 30 FFEDLO Cc1nocc1C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001099005041 1021577768 /nfs/dbraw/zinc/57/77/68/1021577768.db2.gz POHUXNVJNGRALX-JXFKEZNVSA-N 1 2 368.412 2.778 20 30 FFEDLO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000935487834 1021733188 /nfs/dbraw/zinc/73/31/88/1021733188.db2.gz JAOWWVJNXRMTFG-HUUCEWRRSA-N 1 2 362.474 2.564 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)cc1 ZINC000113249028 1021890898 /nfs/dbraw/zinc/89/08/98/1021890898.db2.gz AAWJDQYSIRQTPZ-GJZGRUSLSA-N 1 2 355.438 2.906 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc(-c3ccco3)oc2C)C1 ZINC001015726247 1021942373 /nfs/dbraw/zinc/94/23/73/1021942373.db2.gz JYUZKWWLHYYITC-UXLLHSPISA-N 1 2 371.437 2.525 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc(-c3ccco3)oc2C)C1 ZINC001015726247 1021942403 /nfs/dbraw/zinc/94/24/03/1021942403.db2.gz JYUZKWWLHYYITC-UXLLHSPISA-N 1 2 371.437 2.525 20 30 FFEDLO Cc1nc[nH]c1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001099188315 1022040977 /nfs/dbraw/zinc/04/09/77/1022040977.db2.gz GVYWFVZNIRCVPF-JXFKEZNVSA-N 1 2 367.428 2.513 20 30 FFEDLO Cc1nc[nH]c1C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001099188315 1022040992 /nfs/dbraw/zinc/04/09/92/1022040992.db2.gz GVYWFVZNIRCVPF-JXFKEZNVSA-N 1 2 367.428 2.513 20 30 FFEDLO N#Cc1ccc(F)cc1C[NH2+][C@@H]1CN(C(=O)C2CC2)C[C@H]1C(F)(F)F ZINC001099195288 1022054523 /nfs/dbraw/zinc/05/45/23/1022054523.db2.gz DKLCUZSXIMEGGW-HUUCEWRRSA-N 1 2 355.335 2.586 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(/C=C\C(=O)c3ccccc3)cc2)C[NH2+]1 ZINC001218171975 1033027038 /nfs/dbraw/zinc/02/70/38/1033027038.db2.gz FGXRHBKVAZTUOJ-HPAYKRKXSA-N 1 2 351.402 2.865 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)C[NH2+]1 ZINC001218173111 1033029185 /nfs/dbraw/zinc/02/91/85/1033029185.db2.gz RGTBOGCEPUIOFI-AALAQPOBSA-N 1 2 351.402 2.865 20 30 FFEDLO CCOC(=O)c1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)[nH]n1 ZINC001118268476 1022150735 /nfs/dbraw/zinc/15/07/35/1022150735.db2.gz YXJGZWPLMCFGAG-UHFFFAOYSA-N 1 2 372.400 2.641 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC001017561318 1022250073 /nfs/dbraw/zinc/25/00/73/1022250073.db2.gz SJKFEGLEPUWRDW-PLACYPQZSA-N 1 2 352.478 2.505 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC001017561318 1022250078 /nfs/dbraw/zinc/25/00/78/1022250078.db2.gz SJKFEGLEPUWRDW-PLACYPQZSA-N 1 2 352.478 2.505 20 30 FFEDLO C=C1CCC(C(=O)NCC2=CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC001017707962 1022282828 /nfs/dbraw/zinc/28/28/28/1022282828.db2.gz GEBONFUGOSZDNM-QZTJIDSGSA-N 1 2 368.481 2.535 20 30 FFEDLO C=C1CCC(C(=O)NCC2=CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC001017707962 1022282835 /nfs/dbraw/zinc/28/28/35/1022282835.db2.gz GEBONFUGOSZDNM-QZTJIDSGSA-N 1 2 368.481 2.535 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)c1 ZINC000778747487 1022308384 /nfs/dbraw/zinc/30/83/84/1022308384.db2.gz FQTVFBNBBXCUSC-QGZVFWFLSA-N 1 2 361.405 2.878 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001018143156 1022335678 /nfs/dbraw/zinc/33/56/78/1022335678.db2.gz CBHCMRVYNWMPQV-XUWVNRHRSA-N 1 2 362.395 2.906 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001018143156 1022335686 /nfs/dbraw/zinc/33/56/86/1022335686.db2.gz CBHCMRVYNWMPQV-XUWVNRHRSA-N 1 2 362.395 2.906 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000115543580 1022337042 /nfs/dbraw/zinc/33/70/42/1022337042.db2.gz WWJKIFGDHWBFRP-UXHICEINSA-N 1 2 367.424 2.669 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@@H]2CCCN(c3cccc(F)c3)C2=O)cc1 ZINC000115522917 1022337208 /nfs/dbraw/zinc/33/72/08/1022337208.db2.gz IPOHUDJBQYBKLN-QGZVFWFLSA-N 1 2 357.385 2.667 20 30 FFEDLO COC[C@@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001111208385 1022417201 /nfs/dbraw/zinc/41/72/01/1022417201.db2.gz KTWRSFLPXRJNDJ-QVSURHGTSA-N 1 2 359.445 2.591 20 30 FFEDLO COC[C@@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001111208385 1022417205 /nfs/dbraw/zinc/41/72/05/1022417205.db2.gz KTWRSFLPXRJNDJ-QVSURHGTSA-N 1 2 359.445 2.591 20 30 FFEDLO C=CCn1c(=S)n(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)nc1-c1cccnc1 ZINC001119337296 1022698705 /nfs/dbraw/zinc/69/87/05/1022698705.db2.gz YUGUPGBRUZXWBW-GASCZTMLSA-N 1 2 359.524 2.914 20 30 FFEDLO C=CCn1c(=S)n(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)nc1-c1cccnc1 ZINC001119337296 1022698714 /nfs/dbraw/zinc/69/87/14/1022698714.db2.gz YUGUPGBRUZXWBW-GASCZTMLSA-N 1 2 359.524 2.914 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001095757603 1022747074 /nfs/dbraw/zinc/74/70/74/1022747074.db2.gz SBWOLMXAXXCYTH-WMZOPIPTSA-N 1 2 360.502 2.832 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3ccc(F)cc3O1)C2 ZINC001095762357 1022768359 /nfs/dbraw/zinc/76/83/59/1022768359.db2.gz JWACYERXNCNIME-LTIDMASMSA-N 1 2 364.848 2.993 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3ccc(F)cc3O1)C2 ZINC001095762357 1022768375 /nfs/dbraw/zinc/76/83/75/1022768375.db2.gz JWACYERXNCNIME-LTIDMASMSA-N 1 2 364.848 2.993 20 30 FFEDLO C=C(C)Cn1c(N2Cc3ccccc3[C@@H]2C)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001122396032 1023241718 /nfs/dbraw/zinc/24/17/18/1023241718.db2.gz VLHJSEDORDSWSP-XPIZARPCSA-N 1 2 367.497 2.847 20 30 FFEDLO C=C(C)Cn1c(N2Cc3ccccc3[C@@H]2C)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001122396032 1023241724 /nfs/dbraw/zinc/24/17/24/1023241724.db2.gz VLHJSEDORDSWSP-XPIZARPCSA-N 1 2 367.497 2.847 20 30 FFEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC(C)(OC)C1 ZINC001122539072 1023326980 /nfs/dbraw/zinc/32/69/80/1023326980.db2.gz JTNQKFXRHNJZEV-MRXNPFEDSA-N 1 2 358.490 2.911 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)Cc1ccc(C)o1 ZINC001122566416 1023342898 /nfs/dbraw/zinc/34/28/98/1023342898.db2.gz GCTVMIPQLVSQRJ-UHFFFAOYSA-N 1 2 373.501 2.596 20 30 FFEDLO COc1ccc(OCC2N=NC(=S)N2N=C2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000753955584 1023405738 /nfs/dbraw/zinc/40/57/38/1023405738.db2.gz PXRVSVIAYPUCCN-LBPRGKRZSA-N 1 2 373.482 2.615 20 30 FFEDLO COc1ccc(OCC2N=NC(=S)N2N=C2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000753955584 1023405742 /nfs/dbraw/zinc/40/57/42/1023405742.db2.gz PXRVSVIAYPUCCN-LBPRGKRZSA-N 1 2 373.482 2.615 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCCCO1 ZINC001123159791 1023662340 /nfs/dbraw/zinc/66/23/40/1023662340.db2.gz ZWQJBPLTWZCCKI-QKLQHJQFSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCCCO1 ZINC001123159791 1023662343 /nfs/dbraw/zinc/66/23/43/1023662343.db2.gz ZWQJBPLTWZCCKI-QKLQHJQFSA-N 1 2 372.517 2.744 20 30 FFEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)C1 ZINC000950063327 1023697749 /nfs/dbraw/zinc/69/77/49/1023697749.db2.gz IFCTTWOVZTYWPN-PKOBYXMFSA-N 1 2 358.482 2.916 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001121610541 1023880187 /nfs/dbraw/zinc/88/01/87/1023880187.db2.gz SXMPQWUUVFAIBQ-QAETUUGQSA-N 1 2 361.534 2.853 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001121610541 1023880193 /nfs/dbraw/zinc/88/01/93/1023880193.db2.gz SXMPQWUUVFAIBQ-QAETUUGQSA-N 1 2 361.534 2.853 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@](OC)(C(F)(F)F)C1 ZINC001121613378 1023880865 /nfs/dbraw/zinc/88/08/65/1023880865.db2.gz XPBBPEAOXFBEFM-BBRMVZONSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@](OC)(C(F)(F)F)C1 ZINC001121613378 1023880875 /nfs/dbraw/zinc/88/08/75/1023880875.db2.gz XPBBPEAOXFBEFM-BBRMVZONSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCn1c(C2CC=CC2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001121639341 1023896368 /nfs/dbraw/zinc/89/63/68/1023896368.db2.gz OIZGVOYQQUQLNN-UHFFFAOYSA-N 1 2 350.470 2.615 20 30 FFEDLO COc1ccc(C[NH2+][C@@H](C)c2nnnn2C2CC2)cc1OCCCC#N ZINC000191827344 1023926353 /nfs/dbraw/zinc/92/63/53/1023926353.db2.gz UJXPCNZCQNMTJC-ZDUSSCGKSA-N 1 2 356.430 2.550 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(s1)CCCC3)C2 ZINC001111356279 1024318872 /nfs/dbraw/zinc/31/88/72/1024318872.db2.gz YICJWNBQXWTDQJ-ZACQAIPSSA-N 1 2 358.507 2.612 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(s1)CCCC3)C2 ZINC001111356279 1024318887 /nfs/dbraw/zinc/31/88/87/1024318887.db2.gz YICJWNBQXWTDQJ-ZACQAIPSSA-N 1 2 358.507 2.612 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)c3csnn3)C[C@@]2(C)C1 ZINC001101325261 1024454509 /nfs/dbraw/zinc/45/45/09/1024454509.db2.gz MJNPBRYIBFLLAV-FCEWJHQRSA-N 1 2 360.527 2.963 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@H+]([C@@H](C)c3csnn3)C[C@@]2(C)C1 ZINC001101325261 1024454516 /nfs/dbraw/zinc/45/45/16/1024454516.db2.gz MJNPBRYIBFLLAV-FCEWJHQRSA-N 1 2 360.527 2.963 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CCC4)no3)C[C@@]2(C)C1 ZINC001101336501 1024483711 /nfs/dbraw/zinc/48/37/11/1024483711.db2.gz FLQZQTLBUKMFMA-UTKZUKDTSA-N 1 2 370.497 2.811 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CCC4)no3)C[C@@]2(C)C1 ZINC001101336501 1024483716 /nfs/dbraw/zinc/48/37/16/1024483716.db2.gz FLQZQTLBUKMFMA-UTKZUKDTSA-N 1 2 370.497 2.811 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3cn(C(C)(C)C)nn3)C[C@@]2(C)C1 ZINC001101348058 1024515298 /nfs/dbraw/zinc/51/52/98/1024515298.db2.gz XDHHIJWHAXFXQS-UZLBHIALSA-N 1 2 359.518 2.670 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@H+](Cc3cn(C(C)(C)C)nn3)C[C@@]2(C)C1 ZINC001101348058 1024515304 /nfs/dbraw/zinc/51/53/04/1024515304.db2.gz XDHHIJWHAXFXQS-UZLBHIALSA-N 1 2 359.518 2.670 20 30 FFEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001101794240 1025047507 /nfs/dbraw/zinc/04/75/07/1025047507.db2.gz XYTVNMDMRHVHBL-MGPQQGTHSA-N 1 2 371.934 2.962 20 30 FFEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001101794240 1025047520 /nfs/dbraw/zinc/04/75/20/1025047520.db2.gz XYTVNMDMRHVHBL-MGPQQGTHSA-N 1 2 371.934 2.962 20 30 FFEDLO C=CCCC(=O)NC[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)n(C)n2)C[C@H]1C ZINC001101806477 1025067601 /nfs/dbraw/zinc/06/76/01/1025067601.db2.gz SNEDILBARDLPGP-CHWSQXEVSA-N 1 2 358.408 2.589 20 30 FFEDLO C=CCCC(=O)NC[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)n(C)n2)C[C@H]1C ZINC001101806477 1025067616 /nfs/dbraw/zinc/06/76/16/1025067616.db2.gz SNEDILBARDLPGP-CHWSQXEVSA-N 1 2 358.408 2.589 20 30 FFEDLO C[C@@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001101824160 1025091222 /nfs/dbraw/zinc/09/12/22/1025091222.db2.gz XVUGOJFPAFJNEB-HBNTYKKESA-N 1 2 360.405 2.506 20 30 FFEDLO C[C@@H](C#N)C(=O)NC[C@@H]1C[N@@H+](Cc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001101824160 1025091229 /nfs/dbraw/zinc/09/12/29/1025091229.db2.gz XVUGOJFPAFJNEB-HBNTYKKESA-N 1 2 360.405 2.506 20 30 FFEDLO C=CCOCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001101852550 1025119196 /nfs/dbraw/zinc/11/91/96/1025119196.db2.gz DWVBYVPNBLFARD-ZIAGYGMSSA-N 1 2 371.934 2.963 20 30 FFEDLO C=CCOCCCC(=O)NC[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001101852550 1025119198 /nfs/dbraw/zinc/11/91/98/1025119198.db2.gz DWVBYVPNBLFARD-ZIAGYGMSSA-N 1 2 371.934 2.963 20 30 FFEDLO C#CCCCCC(=O)NC[C@@H]1C[N@@H+](Cc2nccn2C(F)F)C[C@H]1C ZINC001101892404 1025163106 /nfs/dbraw/zinc/16/31/06/1025163106.db2.gz TYDQBSYTDBGXPW-HUUCEWRRSA-N 1 2 352.429 2.656 20 30 FFEDLO C#CCCCCC(=O)NC[C@@H]1C[N@H+](Cc2nccn2C(F)F)C[C@H]1C ZINC001101892404 1025163108 /nfs/dbraw/zinc/16/31/08/1025163108.db2.gz TYDQBSYTDBGXPW-HUUCEWRRSA-N 1 2 352.429 2.656 20 30 FFEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(Oc2ccc(C(N)=O)cc2)CC1 ZINC001141167047 1025552174 /nfs/dbraw/zinc/55/21/74/1025552174.db2.gz WBGYECYKCNZMMX-UHFFFAOYSA-N 1 2 353.397 2.840 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2F)C1 ZINC001141287330 1025765424 /nfs/dbraw/zinc/76/54/24/1025765424.db2.gz BYXAXMOBQYKSAM-AWEZNQCLSA-N 1 2 352.406 2.720 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2F)C1 ZINC001141287330 1025765439 /nfs/dbraw/zinc/76/54/39/1025765439.db2.gz BYXAXMOBQYKSAM-AWEZNQCLSA-N 1 2 352.406 2.720 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000838815318 1026512867 /nfs/dbraw/zinc/51/28/67/1026512867.db2.gz VFGXUFUHEKTDBE-CYBMUJFWSA-N 1 2 360.414 2.813 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000838815318 1026512873 /nfs/dbraw/zinc/51/28/73/1026512873.db2.gz VFGXUFUHEKTDBE-CYBMUJFWSA-N 1 2 360.414 2.813 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000839135184 1026599262 /nfs/dbraw/zinc/59/92/62/1026599262.db2.gz FSDCTMAUNQOULB-INIZCTEOSA-N 1 2 374.485 2.778 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000839135184 1026599266 /nfs/dbraw/zinc/59/92/66/1026599266.db2.gz FSDCTMAUNQOULB-INIZCTEOSA-N 1 2 374.485 2.778 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)CCCO1 ZINC000839137000 1026600860 /nfs/dbraw/zinc/60/08/60/1026600860.db2.gz WDZWPQLNHGQAEO-MRXNPFEDSA-N 1 2 363.433 2.813 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)CCCO1 ZINC000839137000 1026600863 /nfs/dbraw/zinc/60/08/63/1026600863.db2.gz WDZWPQLNHGQAEO-MRXNPFEDSA-N 1 2 363.433 2.813 20 30 FFEDLO N#Cc1ccnc(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1F ZINC001158587019 1027069545 /nfs/dbraw/zinc/06/95/45/1027069545.db2.gz UMVVLOAOOPFLPT-WBVHZDCISA-N 1 2 368.412 2.963 20 30 FFEDLO CSc1nc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)ccc1C#N ZINC001141946005 1027200332 /nfs/dbraw/zinc/20/03/32/1027200332.db2.gz WATLWAHDHBRZNC-ZFWWWQNUSA-N 1 2 360.483 2.726 20 30 FFEDLO CSc1nc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)ccc1C#N ZINC001141946005 1027200347 /nfs/dbraw/zinc/20/03/47/1027200347.db2.gz WATLWAHDHBRZNC-ZFWWWQNUSA-N 1 2 360.483 2.726 20 30 FFEDLO COc1cnc(OC2CC[NH+](Cc3ccc(C#N)c(SC)n3)CC2)nc1 ZINC001141945835 1027200771 /nfs/dbraw/zinc/20/07/71/1027200771.db2.gz OHASYMUVPWFWIF-UHFFFAOYSA-N 1 2 371.466 2.517 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2OCCOC)c1 ZINC000092143658 1027232616 /nfs/dbraw/zinc/23/26/16/1027232616.db2.gz HMAJAMSNGHUWPJ-UHFFFAOYSA-N 1 2 352.434 2.764 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2OCCOC)c1 ZINC000092143658 1027232632 /nfs/dbraw/zinc/23/26/32/1027232632.db2.gz HMAJAMSNGHUWPJ-UHFFFAOYSA-N 1 2 352.434 2.764 20 30 FFEDLO CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1nc(C#N)c(Cl)s1 ZINC001103364391 1027317039 /nfs/dbraw/zinc/31/70/39/1027317039.db2.gz MXUKUXLNVXULJN-IVZWLZJFSA-N 1 2 364.862 2.502 20 30 FFEDLO CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1nc(C#N)c(Cl)s1 ZINC001103364391 1027317059 /nfs/dbraw/zinc/31/70/59/1027317059.db2.gz MXUKUXLNVXULJN-IVZWLZJFSA-N 1 2 364.862 2.502 20 30 FFEDLO CC(C)(C)N(Cc1ccccc1)C(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000092916479 1027507408 /nfs/dbraw/zinc/50/74/08/1027507408.db2.gz RNQURSPFWCRBNN-UHFFFAOYSA-N 1 2 354.454 2.740 20 30 FFEDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1cc(C#N)c2cc(Cl)ccc2n1 ZINC001160699287 1027811044 /nfs/dbraw/zinc/81/10/44/1027811044.db2.gz CYUGYCAFWICAMT-MRXNPFEDSA-N 1 2 369.812 2.690 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccnc(OC)n2)CCCC1 ZINC001111517421 1028719924 /nfs/dbraw/zinc/71/99/24/1028719924.db2.gz AZRBYKNTBAFIAS-KURKYZTESA-N 1 2 370.497 2.843 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccnc(OC)n2)CCCC1 ZINC001111517421 1028719939 /nfs/dbraw/zinc/71/99/39/1028719939.db2.gz AZRBYKNTBAFIAS-KURKYZTESA-N 1 2 370.497 2.843 20 30 FFEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccc(C#N)cn3)n2)C1 ZINC000780660080 1028761370 /nfs/dbraw/zinc/76/13/70/1028761370.db2.gz PVAHCBJKCVFERV-ZDUSSCGKSA-N 1 2 370.482 2.963 20 30 FFEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccc(C#N)cn3)n2)C1 ZINC000780660080 1028761387 /nfs/dbraw/zinc/76/13/87/1028761387.db2.gz PVAHCBJKCVFERV-ZDUSSCGKSA-N 1 2 370.482 2.963 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccn1CC ZINC001155724579 1028874376 /nfs/dbraw/zinc/87/43/76/1028874376.db2.gz RVFSSJTWWXPPOY-AOIWGVFYSA-N 1 2 362.518 2.601 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1nccn1CC ZINC001155724579 1028874394 /nfs/dbraw/zinc/87/43/94/1028874394.db2.gz RVFSSJTWWXPPOY-AOIWGVFYSA-N 1 2 362.518 2.601 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCCCC)C1 ZINC001111676110 1029115545 /nfs/dbraw/zinc/11/55/45/1029115545.db2.gz QWVBTCFSOUUZCZ-HOCLYGCPSA-N 1 2 359.308 2.682 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCCCC)C1 ZINC001111676110 1029115547 /nfs/dbraw/zinc/11/55/47/1029115547.db2.gz QWVBTCFSOUUZCZ-HOCLYGCPSA-N 1 2 359.308 2.682 20 30 FFEDLO N#Cc1ccc2[nH]c(C(=O)N3CC[NH+](CCOc4ccccc4)CC3)cc2c1 ZINC001156456187 1029198562 /nfs/dbraw/zinc/19/85/62/1029198562.db2.gz WKEJQJIWWAOMEG-UHFFFAOYSA-N 1 2 374.444 2.876 20 30 FFEDLO N#Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)nc1 ZINC000782029352 1029532222 /nfs/dbraw/zinc/53/22/22/1029532222.db2.gz VEHGRJIIHRKUNL-LJQANCHMSA-N 1 2 352.413 2.763 20 30 FFEDLO N#Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)nc1 ZINC000782029352 1029532232 /nfs/dbraw/zinc/53/22/32/1029532232.db2.gz VEHGRJIIHRKUNL-LJQANCHMSA-N 1 2 352.413 2.763 20 30 FFEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCNC(=O)[C@H]3c3ccc(Cl)cc3)c12 ZINC001157788106 1029664668 /nfs/dbraw/zinc/66/46/68/1029664668.db2.gz SZJYWBRNKOAYEZ-MRXNPFEDSA-N 1 2 351.797 2.765 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H](C)[C@@H](C)O1 ZINC000782629356 1029767533 /nfs/dbraw/zinc/76/75/33/1029767533.db2.gz RYLPKVLBGWAVIQ-HLPPOEQASA-N 1 2 350.422 2.721 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H](C)[C@@H](C)O1 ZINC000782629356 1029767538 /nfs/dbraw/zinc/76/75/38/1029767538.db2.gz RYLPKVLBGWAVIQ-HLPPOEQASA-N 1 2 350.422 2.721 20 30 FFEDLO C=CCCN(OCc1ccccc1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000782924870 1029854375 /nfs/dbraw/zinc/85/43/75/1029854375.db2.gz PWJVCXATCWNYLJ-UHFFFAOYSA-N 1 2 361.486 2.817 20 30 FFEDLO N#Cc1cnc(Cl)cc1N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001165692632 1030088909 /nfs/dbraw/zinc/08/89/09/1030088909.db2.gz WIKJYQKBBBRWGM-CQSZACIVSA-N 1 2 357.845 2.866 20 30 FFEDLO CC(=O)c1cccc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000842024082 1030581994 /nfs/dbraw/zinc/58/19/94/1030581994.db2.gz JUCFKVQSXLJXPP-UHFFFAOYSA-N 1 2 367.449 2.559 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](Cc2ccccc2OC)Cc2nnn(CC3CC3)c21 ZINC001203432617 1030696529 /nfs/dbraw/zinc/69/65/29/1030696529.db2.gz SQMYHFVKMMIXGA-SFHVURJKSA-N 1 2 368.481 2.999 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](Cc2ccccc2OC)Cc2nnn(CC3CC3)c21 ZINC001203432617 1030696535 /nfs/dbraw/zinc/69/65/35/1030696535.db2.gz SQMYHFVKMMIXGA-SFHVURJKSA-N 1 2 368.481 2.999 20 30 FFEDLO COC(=O)C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001203763891 1030876576 /nfs/dbraw/zinc/87/65/76/1030876576.db2.gz RABWTHUQBKNDQK-NRFANRHFSA-N 1 2 363.461 2.808 20 30 FFEDLO COC(=O)C[C@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001203763891 1030876593 /nfs/dbraw/zinc/87/65/93/1030876593.db2.gz RABWTHUQBKNDQK-NRFANRHFSA-N 1 2 363.461 2.808 20 30 FFEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cnc3ccc(Cl)nn13)C2 ZINC001142991509 1031128617 /nfs/dbraw/zinc/12/86/17/1031128617.db2.gz JKBPHZSGSZIZOM-QAPCUYQASA-N 1 2 362.861 2.709 20 30 FFEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cnc3ccc(Cl)nn13)C2 ZINC001142991509 1031128625 /nfs/dbraw/zinc/12/86/25/1031128625.db2.gz JKBPHZSGSZIZOM-QAPCUYQASA-N 1 2 362.861 2.709 20 30 FFEDLO N#Cc1c(F)ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)c1N ZINC001149989898 1031637063 /nfs/dbraw/zinc/63/70/63/1031637063.db2.gz PSWHGMJBOUEUQN-QGZVFWFLSA-N 1 2 353.401 2.668 20 30 FFEDLO N#Cc1c(F)ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)c1N ZINC001149989898 1031637073 /nfs/dbraw/zinc/63/70/73/1031637073.db2.gz PSWHGMJBOUEUQN-QGZVFWFLSA-N 1 2 353.401 2.668 20 30 FFEDLO N#Cc1cc(Oc2ccc(NC(=O)N[C@H]3Cc4c[nH+]cn4C3)cc2)ccn1 ZINC001205899921 1032056393 /nfs/dbraw/zinc/05/63/93/1032056393.db2.gz RMTCMHYOTZNVSG-HNNXBMFYSA-N 1 2 360.377 2.688 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CCC)OC)C[C@@H]21 ZINC001223252861 1033357507 /nfs/dbraw/zinc/35/75/07/1033357507.db2.gz UNYXSFHXEOPOKO-QLFBSQMISA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CCC)OC)C[C@@H]21 ZINC001223252861 1033357518 /nfs/dbraw/zinc/35/75/18/1033357518.db2.gz UNYXSFHXEOPOKO-QLFBSQMISA-N 1 2 359.308 2.633 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3CCC)[C@H]2C1 ZINC001223271349 1033362116 /nfs/dbraw/zinc/36/21/16/1033362116.db2.gz GSZLKSMQCQOVDN-MOPGFXCFSA-N 1 2 371.529 2.695 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3CCC)[C@H]2C1 ZINC001223271349 1033362125 /nfs/dbraw/zinc/36/21/25/1033362125.db2.gz GSZLKSMQCQOVDN-MOPGFXCFSA-N 1 2 371.529 2.695 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001223271329 1033363779 /nfs/dbraw/zinc/36/37/79/1033363779.db2.gz FVDOBSJLFFSSDJ-MOPGFXCFSA-N 1 2 371.529 2.866 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001223271329 1033363792 /nfs/dbraw/zinc/36/37/92/1033363792.db2.gz FVDOBSJLFFSSDJ-MOPGFXCFSA-N 1 2 371.529 2.866 20 30 FFEDLO CC[C@H](C)CCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218832016 1033364776 /nfs/dbraw/zinc/36/47/76/1033364776.db2.gz IPEYDRURQNRWDJ-JCGIZDLHSA-N 1 2 361.511 2.858 20 30 FFEDLO CC[C@H](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218832016 1033364784 /nfs/dbraw/zinc/36/47/84/1033364784.db2.gz IPEYDRURQNRWDJ-JCGIZDLHSA-N 1 2 361.511 2.858 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc4n3CCCC4)[C@H]2C1 ZINC001223338367 1033402260 /nfs/dbraw/zinc/40/22/60/1033402260.db2.gz NOWIPJYPOTZBJR-KSZLIROESA-N 1 2 371.529 2.640 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc4n3CCCC4)[C@H]2C1 ZINC001223338367 1033402264 /nfs/dbraw/zinc/40/22/64/1033402264.db2.gz NOWIPJYPOTZBJR-KSZLIROESA-N 1 2 371.529 2.640 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc4n3CCCCC4)[C@H]2C1 ZINC001223401949 1033429027 /nfs/dbraw/zinc/42/90/27/1033429027.db2.gz UBFLYTBCKNCUJR-MSOLQXFVSA-N 1 2 371.529 2.784 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc4n3CCCCC4)[C@H]2C1 ZINC001223401949 1033429043 /nfs/dbraw/zinc/42/90/43/1033429043.db2.gz UBFLYTBCKNCUJR-MSOLQXFVSA-N 1 2 371.529 2.784 20 30 FFEDLO CCOC(=O)c1csc(CO[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001223943181 1033653823 /nfs/dbraw/zinc/65/38/23/1033653823.db2.gz YLPNUKUMAZCOOY-MRXNPFEDSA-N 1 2 371.462 2.983 20 30 FFEDLO CCOC(=O)c1csc(CO[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001223943181 1033653828 /nfs/dbraw/zinc/65/38/28/1033653828.db2.gz YLPNUKUMAZCOOY-MRXNPFEDSA-N 1 2 371.462 2.983 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cccc3c2OC(F)(F)O3)C1 ZINC001138070461 1033678652 /nfs/dbraw/zinc/67/86/52/1033678652.db2.gz HSSCMUREXQXENR-ZDUSSCGKSA-N 1 2 354.353 2.885 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccc3c2OC(F)(F)O3)C1 ZINC001138070461 1033678660 /nfs/dbraw/zinc/67/86/60/1033678660.db2.gz HSSCMUREXQXENR-ZDUSSCGKSA-N 1 2 354.353 2.885 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2sccc2Cl)C[C@@H]1O ZINC001219702737 1033771491 /nfs/dbraw/zinc/77/14/91/1033771491.db2.gz CATBSVAJLOJGAN-NEPJUHHUSA-N 1 2 363.310 2.842 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2sccc2Cl)C[C@@H]1O ZINC001219702737 1033771504 /nfs/dbraw/zinc/77/15/04/1033771504.db2.gz CATBSVAJLOJGAN-NEPJUHHUSA-N 1 2 363.310 2.842 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(Cl)c2)C[C@@H]1O ZINC001219706891 1033777072 /nfs/dbraw/zinc/77/70/72/1033777072.db2.gz SZPOKZWGQCPHMD-CVEARBPZSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(Cl)c2)C[C@@H]1O ZINC001219706891 1033777081 /nfs/dbraw/zinc/77/70/81/1033777081.db2.gz SZPOKZWGQCPHMD-CVEARBPZSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3c2c(F)ccc3F)C[C@@H]1O ZINC001220133802 1034000736 /nfs/dbraw/zinc/00/07/36/1034000736.db2.gz NZOMWSACESOSJK-IKGGRYGDSA-N 1 2 364.436 2.716 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCc3c2c(F)ccc3F)C[C@@H]1O ZINC001220133802 1034000754 /nfs/dbraw/zinc/00/07/54/1034000754.db2.gz NZOMWSACESOSJK-IKGGRYGDSA-N 1 2 364.436 2.716 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001220200939 1034042406 /nfs/dbraw/zinc/04/24/06/1034042406.db2.gz ALKNMDLSPXMMOK-XKQJLSEDSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001220200939 1034042417 /nfs/dbraw/zinc/04/24/17/1034042417.db2.gz ALKNMDLSPXMMOK-XKQJLSEDSA-N 1 2 370.415 2.969 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001220437159 1034177583 /nfs/dbraw/zinc/17/75/83/1034177583.db2.gz XDCVCVWWZKVIHD-JLZZUVOBSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001220437159 1034177591 /nfs/dbraw/zinc/17/75/91/1034177591.db2.gz XDCVCVWWZKVIHD-JLZZUVOBSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CCn1cc(C(=O)N2CC[NH+]([C@H](CC)c3ccc(F)cc3)CC2)nn1 ZINC000831869409 1034365133 /nfs/dbraw/zinc/36/51/33/1034365133.db2.gz UXTVVTWHSJOLRF-GOSISDBHSA-N 1 2 357.433 2.512 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC001225920599 1034450417 /nfs/dbraw/zinc/45/04/17/1034450417.db2.gz DLEVTHSZMKPTPJ-RTBURBONSA-N 1 2 365.481 2.588 20 30 FFEDLO CCCC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O)C(C)C ZINC001221111019 1034551734 /nfs/dbraw/zinc/55/17/34/1034551734.db2.gz UCEJUSMYNLFPBG-KURKYZTESA-N 1 2 363.527 2.743 20 30 FFEDLO CCCC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O)C(C)C ZINC001221111019 1034551747 /nfs/dbraw/zinc/55/17/47/1034551747.db2.gz UCEJUSMYNLFPBG-KURKYZTESA-N 1 2 363.527 2.743 20 30 FFEDLO CCO[C@@H](CC)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221373541 1034696559 /nfs/dbraw/zinc/69/65/59/1034696559.db2.gz VCVXNNSHBDUNLB-RLLQIKCJSA-N 1 2 358.457 2.525 20 30 FFEDLO CCO[C@@H](CC)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221373541 1034696565 /nfs/dbraw/zinc/69/65/65/1034696565.db2.gz VCVXNNSHBDUNLB-RLLQIKCJSA-N 1 2 358.457 2.525 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221423792 1034740695 /nfs/dbraw/zinc/74/06/95/1034740695.db2.gz ROALBTHSJCBHQW-QKYXUNIQSA-N 1 2 371.456 2.711 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221423792 1034740709 /nfs/dbraw/zinc/74/07/09/1034740709.db2.gz ROALBTHSJCBHQW-QKYXUNIQSA-N 1 2 371.456 2.711 20 30 FFEDLO CCO[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21)C1CC1 ZINC001221558390 1034874402 /nfs/dbraw/zinc/87/44/02/1034874402.db2.gz FXXFVMQXSAXNDW-AHRSYUTCSA-N 1 2 371.456 2.545 20 30 FFEDLO CCO[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21)C1CC1 ZINC001221558390 1034874413 /nfs/dbraw/zinc/87/44/13/1034874413.db2.gz FXXFVMQXSAXNDW-AHRSYUTCSA-N 1 2 371.456 2.545 20 30 FFEDLO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1n[nH]cc1Br)C2 ZINC001139023628 1034890595 /nfs/dbraw/zinc/89/05/95/1034890595.db2.gz PPMMHXOPHMIRNS-HOTGVXAUSA-N 1 2 370.291 2.746 20 30 FFEDLO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1n[nH]cc1Br)C2 ZINC001139023628 1034890598 /nfs/dbraw/zinc/89/05/98/1034890598.db2.gz PPMMHXOPHMIRNS-HOTGVXAUSA-N 1 2 370.291 2.746 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4cscc4s3)[C@@H]2C1 ZINC001221697118 1034992251 /nfs/dbraw/zinc/99/22/51/1034992251.db2.gz LUMHXORSJQBKJR-UKRRQHHQSA-N 1 2 360.504 2.759 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4cscc4s3)[C@@H]2C1 ZINC001221697118 1034992259 /nfs/dbraw/zinc/99/22/59/1034992259.db2.gz LUMHXORSJQBKJR-UKRRQHHQSA-N 1 2 360.504 2.759 20 30 FFEDLO Cn1cc(C[NH+]2CCN(CCC#N)CC2)c2cc(Br)ccc21 ZINC001139219756 1035012201 /nfs/dbraw/zinc/01/22/01/1035012201.db2.gz IZCUPTVSNHYERM-UHFFFAOYSA-N 1 2 361.287 2.972 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C[N@@H+]3CCO[C@]4(CCOC4)C3)cn2)cc1 ZINC001139426729 1035103210 /nfs/dbraw/zinc/10/32/10/1035103210.db2.gz KQORUUJWGAVCBU-HXUWFJFHSA-N 1 2 351.406 2.737 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C[N@H+]3CCO[C@]4(CCOC4)C3)cn2)cc1 ZINC001139426729 1035103213 /nfs/dbraw/zinc/10/32/13/1035103213.db2.gz KQORUUJWGAVCBU-HXUWFJFHSA-N 1 2 351.406 2.737 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CCCCC)C(C)C)[C@@H]2C1 ZINC001221928729 1035162502 /nfs/dbraw/zinc/16/25/02/1035162502.db2.gz DAUWERJESDQXDF-CEXWTWQISA-N 1 2 363.546 2.674 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CCCCC)C(C)C)[C@@H]2C1 ZINC001221928729 1035162505 /nfs/dbraw/zinc/16/25/05/1035162505.db2.gz DAUWERJESDQXDF-CEXWTWQISA-N 1 2 363.546 2.674 20 30 FFEDLO Cn1cc(N2C[C@]3(CC[N@H+](Cc4cccc(Cl)c4C#N)C3)CC2=O)cn1 ZINC001139689300 1035198422 /nfs/dbraw/zinc/19/84/22/1035198422.db2.gz LMISXEJWNPCBMZ-LJQANCHMSA-N 1 2 369.856 2.574 20 30 FFEDLO Cn1cc(N2C[C@]3(CC[N@@H+](Cc4cccc(Cl)c4C#N)C3)CC2=O)cn1 ZINC001139689300 1035198426 /nfs/dbraw/zinc/19/84/26/1035198426.db2.gz LMISXEJWNPCBMZ-LJQANCHMSA-N 1 2 369.856 2.574 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](Cc2ccnc(F)c2)Cc2nnn(CC3CC3)c21 ZINC001139832053 1035246153 /nfs/dbraw/zinc/24/61/53/1035246153.db2.gz NDNPCYLFDYZKGB-INIZCTEOSA-N 1 2 357.433 2.524 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](Cc2ccnc(F)c2)Cc2nnn(CC3CC3)c21 ZINC001139832053 1035246159 /nfs/dbraw/zinc/24/61/59/1035246159.db2.gz NDNPCYLFDYZKGB-INIZCTEOSA-N 1 2 357.433 2.524 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2c[nH]c3ccc(C#N)cc23)CCO1 ZINC001140110485 1035345779 /nfs/dbraw/zinc/34/57/79/1035345779.db2.gz MIMGFRIIBREHSU-INIZCTEOSA-N 1 2 370.453 2.765 20 30 FFEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)CCO1 ZINC001140110485 1035345783 /nfs/dbraw/zinc/34/57/83/1035345783.db2.gz MIMGFRIIBREHSU-INIZCTEOSA-N 1 2 370.453 2.765 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC001140436680 1035477026 /nfs/dbraw/zinc/47/70/26/1035477026.db2.gz LTZAWWWZBDYCFJ-UHFFFAOYSA-N 1 2 352.829 2.805 20 30 FFEDLO CCOc1ccc(OC)cc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC001232384478 1035642493 /nfs/dbraw/zinc/64/24/93/1035642493.db2.gz RTDJEOBKXUVRBY-UHFFFAOYSA-N 1 2 352.438 2.683 20 30 FFEDLO Cc1cc(Cl)cc(C)c1C[NH+]1CC2(C1)COCC(=O)N2CCCC#N ZINC001277234576 1035695819 /nfs/dbraw/zinc/69/58/19/1035695819.db2.gz DKBGJMIQUQMZBJ-UHFFFAOYSA-N 1 2 361.873 2.674 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(OC)c(Cl)cc2OC)C1=O ZINC001277705636 1035974959 /nfs/dbraw/zinc/97/49/59/1035974959.db2.gz UMFZOBBPFSBJGG-IBGZPJMESA-N 1 2 362.857 2.557 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(OC)c(Cl)cc2OC)C1=O ZINC001277705636 1035974969 /nfs/dbraw/zinc/97/49/69/1035974969.db2.gz UMFZOBBPFSBJGG-IBGZPJMESA-N 1 2 362.857 2.557 20 30 FFEDLO N#Cc1c(F)cc(C[N@@H+]2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)cc1F ZINC001140751619 1036060294 /nfs/dbraw/zinc/06/02/94/1036060294.db2.gz DADLKKIKOQRRGU-RTBURBONSA-N 1 2 368.387 2.607 20 30 FFEDLO N#Cc1c(F)cc(C[N@H+]2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)cc1F ZINC001140751619 1036060316 /nfs/dbraw/zinc/06/03/16/1036060316.db2.gz DADLKKIKOQRRGU-RTBURBONSA-N 1 2 368.387 2.607 20 30 FFEDLO CC(C)(C)NC(=O)CO[C@@H]1CCC[N@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140754955 1036063809 /nfs/dbraw/zinc/06/38/09/1036063809.db2.gz PWPJUZLDAAPNFM-CQSZACIVSA-N 1 2 365.424 2.732 20 30 FFEDLO CC(C)(C)NC(=O)CO[C@@H]1CCC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140754955 1036063825 /nfs/dbraw/zinc/06/38/25/1036063825.db2.gz PWPJUZLDAAPNFM-CQSZACIVSA-N 1 2 365.424 2.732 20 30 FFEDLO CCCCCCCC[C@@H](O)C[NH+]1CC2(C1)CN([C@@H](C)CC)C(=O)CO2 ZINC001277735262 1036159238 /nfs/dbraw/zinc/15/92/38/1036159238.db2.gz RCUDULBZTLPMMV-ZWKOTPCHSA-N 1 2 354.535 2.810 20 30 FFEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@@]2(C1)COCCN(c1ncccc1F)C2 ZINC001233045915 1036291379 /nfs/dbraw/zinc/29/13/79/1036291379.db2.gz YPEYHPSWWSMCBP-FQEVSTJZSA-N 1 2 369.444 2.539 20 30 FFEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1ncccc1F)C2 ZINC001233045915 1036291393 /nfs/dbraw/zinc/29/13/93/1036291393.db2.gz YPEYHPSWWSMCBP-FQEVSTJZSA-N 1 2 369.444 2.539 20 30 FFEDLO COCCC[N@H+](Cc1[nH]ccc1C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001233049359 1036294549 /nfs/dbraw/zinc/29/45/49/1036294549.db2.gz MJKUTPPMSROIGF-INIZCTEOSA-N 1 2 362.474 2.734 20 30 FFEDLO COCCC[N@@H+](Cc1[nH]ccc1C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001233049359 1036294564 /nfs/dbraw/zinc/29/45/64/1036294564.db2.gz MJKUTPPMSROIGF-INIZCTEOSA-N 1 2 362.474 2.734 20 30 FFEDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)c(F)c1C#N ZINC001233102686 1036349433 /nfs/dbraw/zinc/34/94/33/1036349433.db2.gz JOFWIJCIMSMGQA-MRXNPFEDSA-N 1 2 373.476 2.533 20 30 FFEDLO CN(C)c1ccc(C[N@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)c(F)c1C#N ZINC001233102686 1036349454 /nfs/dbraw/zinc/34/94/54/1036349454.db2.gz JOFWIJCIMSMGQA-MRXNPFEDSA-N 1 2 373.476 2.533 20 30 FFEDLO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233102045 1036351071 /nfs/dbraw/zinc/35/10/71/1036351071.db2.gz MLZFDUHTHABLBF-RFUYNDQBSA-N 1 2 359.445 2.927 20 30 FFEDLO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233102045 1036351088 /nfs/dbraw/zinc/35/10/88/1036351088.db2.gz MLZFDUHTHABLBF-RFUYNDQBSA-N 1 2 359.445 2.927 20 30 FFEDLO N#Cc1ccc2ncnc(OC[C@H]3C[N@H+](Cc4ccccc4)CCO3)c2c1 ZINC001229103731 1036498928 /nfs/dbraw/zinc/49/89/28/1036498928.db2.gz FNVSMERKAYFAGM-GOSISDBHSA-N 1 2 360.417 2.781 20 30 FFEDLO N#Cc1ccc2ncnc(OC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)c2c1 ZINC001229103731 1036498938 /nfs/dbraw/zinc/49/89/38/1036498938.db2.gz FNVSMERKAYFAGM-GOSISDBHSA-N 1 2 360.417 2.781 20 30 FFEDLO Cc1ccn2cc(CNC(=O)N3CCC[C@H](Cc4[nH+]ccn4C)C3)nc2c1 ZINC000330137610 1036572249 /nfs/dbraw/zinc/57/22/49/1036572249.db2.gz NXYJNFDSUDGWEE-MRXNPFEDSA-N 1 2 366.469 2.745 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1nccc(C)c1Cl)C2 ZINC001277382216 1036645364 /nfs/dbraw/zinc/64/53/64/1036645364.db2.gz UAZOUGZCZCQJSS-IBGZPJMESA-N 1 2 363.889 2.670 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1nccc(C)c1Cl)C2 ZINC001277382216 1036645374 /nfs/dbraw/zinc/64/53/74/1036645374.db2.gz UAZOUGZCZCQJSS-IBGZPJMESA-N 1 2 363.889 2.670 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1nccc(C)c1Cl)C2 ZINC001277382217 1036645732 /nfs/dbraw/zinc/64/57/32/1036645732.db2.gz UAZOUGZCZCQJSS-LJQANCHMSA-N 1 2 363.889 2.670 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1nccc(C)c1Cl)C2 ZINC001277382217 1036645739 /nfs/dbraw/zinc/64/57/39/1036645739.db2.gz UAZOUGZCZCQJSS-LJQANCHMSA-N 1 2 363.889 2.670 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc4cccc(Br)c4cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233514074 1036666056 /nfs/dbraw/zinc/66/60/56/1036666056.db2.gz OJNLPUDZSTYZTO-HGXGPTJDSA-N 1 2 361.239 2.989 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc4cccc(Br)c4cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233514074 1036666063 /nfs/dbraw/zinc/66/60/63/1036666063.db2.gz OJNLPUDZSTYZTO-HGXGPTJDSA-N 1 2 361.239 2.989 20 30 FFEDLO C=CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001277388054 1036679105 /nfs/dbraw/zinc/67/91/05/1036679105.db2.gz RKDSFJUNAZPNJX-SFHVURJKSA-N 1 2 366.820 2.712 20 30 FFEDLO C=CCN1C(=O)C[C@]2(CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001277388054 1036679113 /nfs/dbraw/zinc/67/91/13/1036679113.db2.gz RKDSFJUNAZPNJX-SFHVURJKSA-N 1 2 366.820 2.712 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(F)cc(C#N)cc1F ZINC001277399521 1036750686 /nfs/dbraw/zinc/75/06/86/1036750686.db2.gz VJRMZYWJFDDTJT-QZTJIDSGSA-N 1 2 358.392 2.706 20 30 FFEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(F)cc(C#N)cc1F ZINC001277399521 1036750697 /nfs/dbraw/zinc/75/06/97/1036750697.db2.gz VJRMZYWJFDDTJT-QZTJIDSGSA-N 1 2 358.392 2.706 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001574649764 1078046984 /nfs/dbraw/zinc/04/69/84/1078046984.db2.gz XJYPXSPWRUHLRB-ZWOKBUDYSA-N 1 2 358.486 2.688 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2ncc(-c3cccs3)o2)C[C@H]1C ZINC001206947477 1036969608 /nfs/dbraw/zinc/96/96/08/1036969608.db2.gz XSELDCGLKIURFD-HUUCEWRRSA-N 1 2 357.479 2.999 20 30 FFEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2ncc(-c3cccs3)o2)C[C@H]1C ZINC001206947477 1036969618 /nfs/dbraw/zinc/96/96/18/1036969618.db2.gz XSELDCGLKIURFD-HUUCEWRRSA-N 1 2 357.479 2.999 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(Cl)c1C(=O)OC ZINC001276503603 1037084411 /nfs/dbraw/zinc/08/44/11/1037084411.db2.gz PBLXFMWNHFSUGM-FQEVSTJZSA-N 1 2 374.868 2.717 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(Cl)c1C(=O)OC ZINC001276503603 1037084431 /nfs/dbraw/zinc/08/44/31/1037084431.db2.gz PBLXFMWNHFSUGM-FQEVSTJZSA-N 1 2 374.868 2.717 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](Cc2cncc(C)c2)Cc2nnn(CC3CC3)c21 ZINC001207156569 1037200432 /nfs/dbraw/zinc/20/04/32/1037200432.db2.gz XPXKCSNRDSNEIT-GOSISDBHSA-N 1 2 353.470 2.694 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](Cc2cncc(C)c2)Cc2nnn(CC3CC3)c21 ZINC001207156569 1037200447 /nfs/dbraw/zinc/20/04/47/1037200447.db2.gz XPXKCSNRDSNEIT-GOSISDBHSA-N 1 2 353.470 2.694 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1CCc1ccccc1OC ZINC001207452797 1037450390 /nfs/dbraw/zinc/45/03/90/1037450390.db2.gz PWUNEIPIOTVFIT-GOSISDBHSA-N 1 2 356.470 2.651 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1CCc1ccccc1OC ZINC001207452797 1037450391 /nfs/dbraw/zinc/45/03/91/1037450391.db2.gz PWUNEIPIOTVFIT-GOSISDBHSA-N 1 2 356.470 2.651 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)ccc1O ZINC001231420230 1037569757 /nfs/dbraw/zinc/56/97/57/1037569757.db2.gz PPMJEJBUDUSYHZ-UHFFFAOYSA-N 1 2 369.396 2.512 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCn2cnc(COCC3CC3)c2C1 ZINC001231618542 1037741523 /nfs/dbraw/zinc/74/15/23/1037741523.db2.gz IYKSKXJMVYARFI-UHFFFAOYSA-N 1 2 352.438 2.706 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+]1CCn2cnc(COCC3CC3)c2C1 ZINC001231618542 1037741537 /nfs/dbraw/zinc/74/15/37/1037741537.db2.gz IYKSKXJMVYARFI-UHFFFAOYSA-N 1 2 352.438 2.706 20 30 FFEDLO C=CCOc1cccc(C[N@@H+]2CCN(Cc3ccccc3)[C@H](CO)C2)c1 ZINC001231620773 1037743327 /nfs/dbraw/zinc/74/33/27/1037743327.db2.gz BJUXKXMLHANLCU-NRFANRHFSA-N 1 2 352.478 2.930 20 30 FFEDLO C=CCOc1cccc(C[N@H+]2CCN(Cc3ccccc3)[C@H](CO)C2)c1 ZINC001231620773 1037743342 /nfs/dbraw/zinc/74/33/42/1037743342.db2.gz BJUXKXMLHANLCU-NRFANRHFSA-N 1 2 352.478 2.930 20 30 FFEDLO Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(C#N)c1 ZINC001207896415 1037824613 /nfs/dbraw/zinc/82/46/13/1037824613.db2.gz KVJOHZMXXZBIQV-MRXNPFEDSA-N 1 2 359.451 2.575 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001208128893 1038068451 /nfs/dbraw/zinc/06/84/51/1038068451.db2.gz KPIOSHMSAQYIGL-SUYBPPKGSA-N 1 2 371.934 2.962 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001208128893 1038068469 /nfs/dbraw/zinc/06/84/69/1038068469.db2.gz KPIOSHMSAQYIGL-SUYBPPKGSA-N 1 2 371.934 2.962 20 30 FFEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(F)c(O)c1F)CC2 ZINC001277993276 1038173452 /nfs/dbraw/zinc/17/34/52/1038173452.db2.gz WQVHVMHDEFFZJN-CQSZACIVSA-N 1 2 350.409 2.965 20 30 FFEDLO COc1ccc(-c2c(C[N@@H+]3CC[C@H]4SC(=O)C=C4C3)cnn2C)cc1 ZINC001232106543 1038176255 /nfs/dbraw/zinc/17/62/55/1038176255.db2.gz DXNBVRDBVQBVMV-QGZVFWFLSA-N 1 2 355.463 2.870 20 30 FFEDLO COc1ccc(-c2c(C[N@H+]3CC[C@H]4SC(=O)C=C4C3)cnn2C)cc1 ZINC001232106543 1038176264 /nfs/dbraw/zinc/17/62/64/1038176264.db2.gz DXNBVRDBVQBVMV-QGZVFWFLSA-N 1 2 355.463 2.870 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC001208298226 1038198348 /nfs/dbraw/zinc/19/83/48/1038198348.db2.gz GODZWVAPKAKBRC-ZIAGYGMSSA-N 1 2 358.442 2.868 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC001208298226 1038198356 /nfs/dbraw/zinc/19/83/56/1038198356.db2.gz GODZWVAPKAKBRC-ZIAGYGMSSA-N 1 2 358.442 2.868 20 30 FFEDLO CC(C)NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cc(C#N)ccc1O)C2 ZINC001278894715 1038233481 /nfs/dbraw/zinc/23/34/81/1038233481.db2.gz WCOUAHIBXNWOQX-FQEVSTJZSA-N 1 2 356.470 2.670 20 30 FFEDLO CC(C)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(C#N)ccc1O)C2 ZINC001278894715 1038233493 /nfs/dbraw/zinc/23/34/93/1038233493.db2.gz WCOUAHIBXNWOQX-FQEVSTJZSA-N 1 2 356.470 2.670 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001208384955 1038272165 /nfs/dbraw/zinc/27/21/65/1038272165.db2.gz JXXSUVZXCIIUDS-ZHALLVOQSA-N 1 2 357.498 2.972 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001208384955 1038272172 /nfs/dbraw/zinc/27/21/72/1038272172.db2.gz JXXSUVZXCIIUDS-ZHALLVOQSA-N 1 2 357.498 2.972 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001208385070 1038272583 /nfs/dbraw/zinc/27/25/83/1038272583.db2.gz OTVDHAFWJAEVKE-YQVWRLOYSA-N 1 2 357.498 2.972 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001208385070 1038272593 /nfs/dbraw/zinc/27/25/93/1038272593.db2.gz OTVDHAFWJAEVKE-YQVWRLOYSA-N 1 2 357.498 2.972 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccoc3)no2)C[C@H]1C ZINC001208393331 1038279253 /nfs/dbraw/zinc/27/92/53/1038279253.db2.gz OUWXYJGWMOGZKE-IIAWOOMASA-N 1 2 358.442 2.868 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccoc3)no2)C[C@H]1C ZINC001208393331 1038279262 /nfs/dbraw/zinc/27/92/62/1038279262.db2.gz OUWXYJGWMOGZKE-IIAWOOMASA-N 1 2 358.442 2.868 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)cc1F ZINC001278059896 1038462246 /nfs/dbraw/zinc/46/22/46/1038462246.db2.gz CKLHGMRXQNHXDH-GASCZTMLSA-N 1 2 370.453 2.951 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)cc1F ZINC001278059896 1038462250 /nfs/dbraw/zinc/46/22/50/1038462250.db2.gz CKLHGMRXQNHXDH-GASCZTMLSA-N 1 2 370.453 2.951 20 30 FFEDLO Cc1noc(C)c1NC(=O)N1CCC2(C[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001278925565 1038463288 /nfs/dbraw/zinc/46/32/88/1038463288.db2.gz FQJNHMVUQQDVFL-UHFFFAOYSA-N 1 2 371.466 2.964 20 30 FFEDLO Cc1ccc(C[NH+]2CC3(C2)CCN(C(=O)NCC(F)(F)F)C3)c(C#N)c1 ZINC001278961213 1038610557 /nfs/dbraw/zinc/61/05/57/1038610557.db2.gz LEQSGORHWVUUEH-UHFFFAOYSA-N 1 2 366.387 2.646 20 30 FFEDLO C=C(C)CN1CCC2(CC[NH+](CC(=O)c3ccc(C#N)cc3)CC2)C1=O ZINC001276627983 1038736487 /nfs/dbraw/zinc/73/64/87/1038736487.db2.gz SUNWNSLVKSWTIA-UHFFFAOYSA-N 1 2 351.450 2.632 20 30 FFEDLO CCn1ccnc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(C#N)ccc1Cl ZINC001278611446 1038782976 /nfs/dbraw/zinc/78/29/76/1038782976.db2.gz CJCVVTUBXLFDNK-CALCHBBNSA-N 1 2 355.873 2.887 20 30 FFEDLO CCn1ccnc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(C#N)ccc1Cl ZINC001278611446 1038782990 /nfs/dbraw/zinc/78/29/90/1038782990.db2.gz CJCVVTUBXLFDNK-CALCHBBNSA-N 1 2 355.873 2.887 20 30 FFEDLO COc1cc(C#N)ccc1Nc1ccc(N2CC[NH+](C3COC3)CC2)cc1 ZINC001209431847 1038858336 /nfs/dbraw/zinc/85/83/36/1038858336.db2.gz PNXMSVXQEMVFNG-UHFFFAOYSA-N 1 2 364.449 2.831 20 30 FFEDLO C=CCCCCCC[N@H+]1CC(=O)NC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001209431642 1038859254 /nfs/dbraw/zinc/85/92/54/1038859254.db2.gz QZCYAKWDXYBJIT-HXUWFJFHSA-N 1 2 365.518 2.934 20 30 FFEDLO C=CCCCCCC[N@@H+]1CC(=O)NC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001209431642 1038859271 /nfs/dbraw/zinc/85/92/71/1038859271.db2.gz QZCYAKWDXYBJIT-HXUWFJFHSA-N 1 2 365.518 2.934 20 30 FFEDLO N#Cc1ccccc1/C=C/C(=O)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001279028617 1038895944 /nfs/dbraw/zinc/89/59/44/1038895944.db2.gz PJTFVDQPQAIETM-MRJFECKCSA-N 1 2 373.456 2.683 20 30 FFEDLO N#Cc1ccccc1/C=C/C(=O)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001279028617 1038895968 /nfs/dbraw/zinc/89/59/68/1038895968.db2.gz PJTFVDQPQAIETM-MRJFECKCSA-N 1 2 373.456 2.683 20 30 FFEDLO Cn1c[nH+]c(CCNC(=S)Nc2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC001245785357 1039112302 /nfs/dbraw/zinc/11/23/02/1039112302.db2.gz QDXUKEDTJBVXLM-UHFFFAOYSA-N 1 2 353.373 2.840 20 30 FFEDLO N#Cc1ccc(NC(=S)N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC001245899173 1039139269 /nfs/dbraw/zinc/13/92/69/1039139269.db2.gz REFRVSGUQYEEDJ-UHFFFAOYSA-N 1 2 366.490 2.952 20 30 FFEDLO N#Cc1cnn(-c2ccccn2)c1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209926267 1039292297 /nfs/dbraw/zinc/29/22/97/1039292297.db2.gz RZQQFFDESDYVAC-UHFFFAOYSA-N 1 2 360.421 2.715 20 30 FFEDLO COC(=O)c1ccc(Nc2ccccc2C[NH+]2CCOCC2)c(C#N)c1 ZINC001209933635 1039294459 /nfs/dbraw/zinc/29/44/59/1039294459.db2.gz WMIYDVDFRUTIAC-UHFFFAOYSA-N 1 2 351.406 2.921 20 30 FFEDLO N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2nc3c(s2)CCCC3)C1=O ZINC001276676289 1039315832 /nfs/dbraw/zinc/31/58/32/1039315832.db2.gz ZAVLGHXMCHWYOC-IBGZPJMESA-N 1 2 358.511 2.893 20 30 FFEDLO N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2nc3c(s2)CCCC3)C1=O ZINC001276676289 1039315852 /nfs/dbraw/zinc/31/58/52/1039315852.db2.gz ZAVLGHXMCHWYOC-IBGZPJMESA-N 1 2 358.511 2.893 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)ccc1C#N ZINC001279093933 1039333230 /nfs/dbraw/zinc/33/32/30/1039333230.db2.gz QEVQLDSVDWAZOW-IYBDPMFKSA-N 1 2 370.453 2.951 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)ccc1C#N ZINC001279093933 1039333243 /nfs/dbraw/zinc/33/32/43/1039333243.db2.gz QEVQLDSVDWAZOW-IYBDPMFKSA-N 1 2 370.453 2.951 20 30 FFEDLO Cc1ncsc1CN1CCO[C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001278638034 1039344617 /nfs/dbraw/zinc/34/46/17/1039344617.db2.gz GIGANBMHWIJYBF-MSOLQXFVSA-N 1 2 372.469 2.548 20 30 FFEDLO Cc1ncsc1CN1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001278638034 1039344639 /nfs/dbraw/zinc/34/46/39/1039344639.db2.gz GIGANBMHWIJYBF-MSOLQXFVSA-N 1 2 372.469 2.548 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3OCCN(CCCC(F)(F)F)[C@H]3C2)cc1F ZINC001278638325 1039357019 /nfs/dbraw/zinc/35/70/19/1039357019.db2.gz SFTAGNIXQJMQOV-IRXDYDNUSA-N 1 2 371.378 2.925 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3OCCN(CCCC(F)(F)F)[C@H]3C2)cc1F ZINC001278638325 1039357030 /nfs/dbraw/zinc/35/70/30/1039357030.db2.gz SFTAGNIXQJMQOV-IRXDYDNUSA-N 1 2 371.378 2.925 20 30 FFEDLO O=C1C=C2C[N@H+]([C@@H]3CCC(=O)N(Cc4ccccc4)CC3)CC[C@@H]2S1 ZINC001258582751 1039439812 /nfs/dbraw/zinc/43/98/12/1039439812.db2.gz JHYYZGLVVLRYBN-MSOLQXFVSA-N 1 2 356.491 2.842 20 30 FFEDLO O=C1C=C2C[N@@H+]([C@@H]3CCC(=O)N(Cc4ccccc4)CC3)CC[C@@H]2S1 ZINC001258582751 1039439821 /nfs/dbraw/zinc/43/98/21/1039439821.db2.gz JHYYZGLVVLRYBN-MSOLQXFVSA-N 1 2 356.491 2.842 20 30 FFEDLO C=CCOC[C@@H](O)C[N@@H+]1CCn2cc(-c3ccc(F)cc3)nc2C1(C)C ZINC001252473896 1039549290 /nfs/dbraw/zinc/54/92/90/1039549290.db2.gz SAIGRQRYSJAGGJ-KRWDZBQOSA-N 1 2 359.445 2.803 20 30 FFEDLO C=CCOC[C@@H](O)C[N@H+]1CCn2cc(-c3ccc(F)cc3)nc2C1(C)C ZINC001252473896 1039549305 /nfs/dbraw/zinc/54/93/05/1039549305.db2.gz SAIGRQRYSJAGGJ-KRWDZBQOSA-N 1 2 359.445 2.803 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1C ZINC001211218134 1040006025 /nfs/dbraw/zinc/00/60/25/1040006025.db2.gz NMGCXNHVTKKBCQ-MISYRCLQSA-N 1 2 366.509 2.792 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1C ZINC001211218134 1040006042 /nfs/dbraw/zinc/00/60/42/1040006042.db2.gz NMGCXNHVTKKBCQ-MISYRCLQSA-N 1 2 366.509 2.792 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1C ZINC001211218135 1040006789 /nfs/dbraw/zinc/00/67/89/1040006789.db2.gz NMGCXNHVTKKBCQ-YZGWKJHDSA-N 1 2 366.509 2.792 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1C ZINC001211218135 1040006802 /nfs/dbraw/zinc/00/68/02/1040006802.db2.gz NMGCXNHVTKKBCQ-YZGWKJHDSA-N 1 2 366.509 2.792 20 30 FFEDLO CC(=O)NCCn1c2ccccc2[nH+]c1Nc1cc(C#N)cc([N+](=O)[O-])c1 ZINC001211328471 1040083084 /nfs/dbraw/zinc/08/30/84/1040083084.db2.gz GQPNCVBZJINCQD-UHFFFAOYSA-N 1 2 364.365 2.696 20 30 FFEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC001211431701 1040193425 /nfs/dbraw/zinc/19/34/25/1040193425.db2.gz OYWHCROIPGEEMX-HXUWFJFHSA-N 1 2 369.490 2.781 20 30 FFEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC001211431701 1040193437 /nfs/dbraw/zinc/19/34/37/1040193437.db2.gz OYWHCROIPGEEMX-HXUWFJFHSA-N 1 2 369.490 2.781 20 30 FFEDLO C=C[C@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(F)cc1 ZINC001253587048 1040250767 /nfs/dbraw/zinc/25/07/67/1040250767.db2.gz YCQRWGYIIUZOOX-IRXDYDNUSA-N 1 2 350.434 2.966 20 30 FFEDLO C=C[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(F)cc1 ZINC001253587048 1040250777 /nfs/dbraw/zinc/25/07/77/1040250777.db2.gz YCQRWGYIIUZOOX-IRXDYDNUSA-N 1 2 350.434 2.966 20 30 FFEDLO C=C[C@@H](O)C[NH2+][C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001253601827 1040253077 /nfs/dbraw/zinc/25/30/77/1040253077.db2.gz XJDUERDUSJDSGQ-CABCVRRESA-N 1 2 372.506 2.528 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1OC ZINC001213320509 1040447867 /nfs/dbraw/zinc/44/78/67/1040447867.db2.gz YMIVYIIBIFXVGJ-FSPWUOQZSA-N 1 2 352.425 2.883 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1OC ZINC001213320509 1040447880 /nfs/dbraw/zinc/44/78/80/1040447880.db2.gz YMIVYIIBIFXVGJ-FSPWUOQZSA-N 1 2 352.425 2.883 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001213322943 1040450404 /nfs/dbraw/zinc/45/04/04/1040450404.db2.gz WXLLRXXZDPFUOO-NIKGAXFTSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001213322943 1040450411 /nfs/dbraw/zinc/45/04/11/1040450411.db2.gz WXLLRXXZDPFUOO-NIKGAXFTSA-N 1 2 359.445 2.615 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]2OC)CC1 ZINC001213387135 1040500994 /nfs/dbraw/zinc/50/09/94/1040500994.db2.gz MTTVBVBYJRDXRL-QZTJIDSGSA-N 1 2 360.885 2.697 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]2OC)CC1 ZINC001213387135 1040501011 /nfs/dbraw/zinc/50/10/11/1040501011.db2.gz MTTVBVBYJRDXRL-QZTJIDSGSA-N 1 2 360.885 2.697 20 30 FFEDLO Cc1ccnc(C#N)c1Nc1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001213483121 1040593693 /nfs/dbraw/zinc/59/36/93/1040593693.db2.gz HUOCCZVBNQRFFE-UHFFFAOYSA-N 1 2 356.401 2.855 20 30 FFEDLO C=CCC[C@@H]1CCCN1C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC001254336791 1040677809 /nfs/dbraw/zinc/67/78/09/1040677809.db2.gz ARQGOYNGZMBZNB-QGZVFWFLSA-N 1 2 365.518 2.933 20 30 FFEDLO CCC(CC)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213628982 1040736674 /nfs/dbraw/zinc/73/66/74/1040736674.db2.gz FZJRWNACOBWMSO-WOJBJXKFSA-N 1 2 360.473 2.819 20 30 FFEDLO CCC(CC)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213628982 1040736689 /nfs/dbraw/zinc/73/66/89/1040736689.db2.gz FZJRWNACOBWMSO-WOJBJXKFSA-N 1 2 360.473 2.819 20 30 FFEDLO CC(C)C(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1cccc(C#N)c1F)CCO2 ZINC001249679201 1040937180 /nfs/dbraw/zinc/93/71/80/1040937180.db2.gz QAXDBDAKWAWIHS-FQEVSTJZSA-N 1 2 359.445 2.547 20 30 FFEDLO CC(C)C(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1cccc(C#N)c1F)CCO2 ZINC001249679201 1040937197 /nfs/dbraw/zinc/93/71/97/1040937197.db2.gz QAXDBDAKWAWIHS-FQEVSTJZSA-N 1 2 359.445 2.547 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2OC)CCCCC1 ZINC001213903004 1041052138 /nfs/dbraw/zinc/05/21/38/1041052138.db2.gz ASLUSCLWDGQBRQ-RTBURBONSA-N 1 2 357.498 2.924 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2OC)CCCCC1 ZINC001213903004 1041052151 /nfs/dbraw/zinc/05/21/51/1041052151.db2.gz ASLUSCLWDGQBRQ-RTBURBONSA-N 1 2 357.498 2.924 20 30 FFEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc(Br)s2)CC1 ZINC001255118363 1041153152 /nfs/dbraw/zinc/15/31/52/1041153152.db2.gz OGZVHBXNHPAZTC-UHFFFAOYSA-N 1 2 370.268 2.582 20 30 FFEDLO CC[C@H](CC#N)[NH2+][C@@H](CCC(N)=O)C(=O)Nc1ccc2ccccc2c1 ZINC001255164983 1041176986 /nfs/dbraw/zinc/17/69/86/1041176986.db2.gz RUHHRENAVWDVPN-AEFFLSMTSA-N 1 2 352.438 2.694 20 30 FFEDLO C#CCC1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(CCCC)no3)C2)CCC1 ZINC001214830142 1041586704 /nfs/dbraw/zinc/58/67/04/1041586704.db2.gz SGTBBRDITHPBKF-HZPDHXFCSA-N 1 2 358.486 2.542 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@](C)(C(F)(F)F)C1 ZINC001262873452 1041919087 /nfs/dbraw/zinc/91/90/87/1041919087.db2.gz IOZVAOWMHITPKY-INIZCTEOSA-N 1 2 370.423 2.687 20 30 FFEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@@H]2C[C@@H]2C#N)n1C ZINC001262880781 1041926511 /nfs/dbraw/zinc/92/65/11/1041926511.db2.gz MEMKAIBAGKDQKI-IAGOWNOFSA-N 1 2 365.485 2.580 20 30 FFEDLO C=CCn1c(N2CCCC[C@@H]2CC(C)C)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001262987983 1042012188 /nfs/dbraw/zinc/01/21/88/1042012188.db2.gz JVHVZJYDLIHXME-FUHIMQAGSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCn1c(N2CCCC[C@@H]2CC(C)C)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001262987983 1042012194 /nfs/dbraw/zinc/01/21/94/1042012194.db2.gz JVHVZJYDLIHXME-FUHIMQAGSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCN(c1nnc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC1CC1)C1CC1 ZINC001263752594 1042467123 /nfs/dbraw/zinc/46/71/23/1042467123.db2.gz MMAFOPNRQJUITP-ROUUACIJSA-N 1 2 357.502 2.769 20 30 FFEDLO C=CCN(c1nnc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC1CC1)C1CC1 ZINC001263752594 1042467126 /nfs/dbraw/zinc/46/71/26/1042467126.db2.gz MMAFOPNRQJUITP-ROUUACIJSA-N 1 2 357.502 2.769 20 30 FFEDLO Cc1nc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@H](C)C#N)C2)cs1 ZINC001263883564 1042505875 /nfs/dbraw/zinc/50/58/75/1042505875.db2.gz RLCCJMPHPBXAIJ-JEBQAFNWSA-N 1 2 354.479 2.695 20 30 FFEDLO Cc1nc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@H](C)C#N)C2)cs1 ZINC001263883564 1042505879 /nfs/dbraw/zinc/50/58/79/1042505879.db2.gz RLCCJMPHPBXAIJ-JEBQAFNWSA-N 1 2 354.479 2.695 20 30 FFEDLO C#CCCCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001263986943 1042565806 /nfs/dbraw/zinc/56/58/06/1042565806.db2.gz XVFQRFZAFJRKBQ-CVEARBPZSA-N 1 2 360.502 2.887 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2c2ccccc2)CCCCC1 ZINC001264448252 1042676122 /nfs/dbraw/zinc/67/61/22/1042676122.db2.gz WABVOFOAMLUQBW-RBUKOAKNSA-N 1 2 369.509 2.583 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2c2ccccc2)CCCCC1 ZINC001264448252 1042676123 /nfs/dbraw/zinc/67/61/23/1042676123.db2.gz WABVOFOAMLUQBW-RBUKOAKNSA-N 1 2 369.509 2.583 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nnc(-c3occc3C)o2)[C@@H]1CC ZINC001264606180 1042739976 /nfs/dbraw/zinc/73/99/76/1042739976.db2.gz HLIOCFNSMQZXIJ-JKSUJKDBSA-N 1 2 370.453 2.911 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nnc(-c3occc3C)o2)[C@@H]1CC ZINC001264606180 1042739984 /nfs/dbraw/zinc/73/99/84/1042739984.db2.gz HLIOCFNSMQZXIJ-JKSUJKDBSA-N 1 2 370.453 2.911 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@H+](Cc4cnn(CC)n4)CC[C@@H]3C2)CCCC1 ZINC001264660013 1042775650 /nfs/dbraw/zinc/77/56/50/1042775650.db2.gz XVUKJFYOWZXZLK-MSOLQXFVSA-N 1 2 371.529 2.715 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnn(CC)n4)CC[C@@H]3C2)CCCC1 ZINC001264660013 1042775654 /nfs/dbraw/zinc/77/56/54/1042775654.db2.gz XVUKJFYOWZXZLK-MSOLQXFVSA-N 1 2 371.529 2.715 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@H+](Cc4ncnn4C)CC[C@@H]3C2)CCCCC1 ZINC001264658494 1042775807 /nfs/dbraw/zinc/77/58/07/1042775807.db2.gz NZWTXPNNGRYETK-MSOLQXFVSA-N 1 2 371.529 2.622 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ncnn4C)CC[C@@H]3C2)CCCCC1 ZINC001264658494 1042775808 /nfs/dbraw/zinc/77/58/08/1042775808.db2.gz NZWTXPNNGRYETK-MSOLQXFVSA-N 1 2 371.529 2.622 20 30 FFEDLO Cc1cc(CN2CCCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)C2)sn1 ZINC001279481208 1043166185 /nfs/dbraw/zinc/16/61/85/1043166185.db2.gz MUADGJBUPZODJH-UHFFFAOYSA-N 1 2 355.511 2.760 20 30 FFEDLO CCn1ncc2c1C[N@H+](Cc1ccnc(C#N)c1)C[C@@H]2COCC1CC1 ZINC001237464566 1043182116 /nfs/dbraw/zinc/18/21/16/1043182116.db2.gz SZUNZPJAMGOBIO-QGZVFWFLSA-N 1 2 351.454 2.696 20 30 FFEDLO CCn1ncc2c1C[N@@H+](Cc1ccnc(C#N)c1)C[C@@H]2COCC1CC1 ZINC001237464566 1043182121 /nfs/dbraw/zinc/18/21/21/1043182121.db2.gz SZUNZPJAMGOBIO-QGZVFWFLSA-N 1 2 351.454 2.696 20 30 FFEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1cc(C#N)c(F)cc1F)C2 ZINC001237525774 1043218273 /nfs/dbraw/zinc/21/82/73/1043218273.db2.gz JCGKTPAYJQJCHI-UHFFFAOYSA-N 1 2 374.439 2.674 20 30 FFEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1cc(C#N)c(F)cc1F)C2 ZINC001237525774 1043218276 /nfs/dbraw/zinc/21/82/76/1043218276.db2.gz JCGKTPAYJQJCHI-UHFFFAOYSA-N 1 2 374.439 2.674 20 30 FFEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237614529 1043271445 /nfs/dbraw/zinc/27/14/45/1043271445.db2.gz PWMURYPUDDGISN-MRXNPFEDSA-N 1 2 355.442 2.647 20 30 FFEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237614529 1043271450 /nfs/dbraw/zinc/27/14/50/1043271450.db2.gz PWMURYPUDDGISN-MRXNPFEDSA-N 1 2 355.442 2.647 20 30 FFEDLO COc1ccc(C)cc1C[NH+]1CC2(CCN2Cc2cc(C#N)n(C)c2)C1 ZINC001279583662 1043294148 /nfs/dbraw/zinc/29/41/48/1043294148.db2.gz YMOXPNIFRNVVIY-UHFFFAOYSA-N 1 2 350.466 2.674 20 30 FFEDLO N#Cc1ccc(F)c(S(=O)(=O)Nc2ccc(C3CC[NH2+]CC3)cc2)c1 ZINC001237655438 1043296127 /nfs/dbraw/zinc/29/61/27/1043296127.db2.gz ABFXZEUVDQFEOG-UHFFFAOYSA-N 1 2 359.426 2.965 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(Cc4nc(C5CC5)cs4)C3)C2)cc1C#N ZINC001279743658 1043571925 /nfs/dbraw/zinc/57/19/25/1043571925.db2.gz JLCHYFLWTAGZIN-UHFFFAOYSA-N 1 2 353.495 2.548 20 30 FFEDLO N#Cc1ccc(F)c(N2CCC[C@]3(C2)C[N@H+](Cc2ccc[nH]2)CCO3)c1 ZINC001279767897 1043610955 /nfs/dbraw/zinc/61/09/55/1043610955.db2.gz YMXRNRSUIITWNF-HXUWFJFHSA-N 1 2 354.429 2.897 20 30 FFEDLO N#Cc1ccc(F)c(N2CCC[C@]3(C2)C[N@@H+](Cc2ccc[nH]2)CCO3)c1 ZINC001279767897 1043610963 /nfs/dbraw/zinc/61/09/63/1043610963.db2.gz YMXRNRSUIITWNF-HXUWFJFHSA-N 1 2 354.429 2.897 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cc(OC)ncc3Cl)C2)CC1 ZINC001238358389 1043666737 /nfs/dbraw/zinc/66/67/37/1043666737.db2.gz CYBYOBMXGIKSMQ-UHFFFAOYSA-N 1 2 365.861 2.964 20 30 FFEDLO CN(C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(F)cc(C#N)c1)C1CC(F)(F)C1 ZINC001279822306 1043706380 /nfs/dbraw/zinc/70/63/80/1043706380.db2.gz WMCFKORMNMNVSJ-KUHUBIRLSA-N 1 2 363.383 2.918 20 30 FFEDLO CN(C(=O)[C@]12C[C@H]1CC[N@H+]2Cc1cc(F)cc(C#N)c1)C1CC(F)(F)C1 ZINC001279822306 1043706393 /nfs/dbraw/zinc/70/63/93/1043706393.db2.gz WMCFKORMNMNVSJ-KUHUBIRLSA-N 1 2 363.383 2.918 20 30 FFEDLO Cc1cc(C)c(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(C)[nH+]1 ZINC001310835614 1043751156 /nfs/dbraw/zinc/75/11/56/1043751156.db2.gz XYHLYGRRBMFQAB-GJZGRUSLSA-N 1 2 373.457 2.887 20 30 FFEDLO COc1ccc(Cl)c(C[NH+]2CC3(C[C@H]3C(=O)NC3(C#N)CCC3)C2)c1 ZINC001279870475 1043805455 /nfs/dbraw/zinc/80/54/55/1043805455.db2.gz HBDFNMHAFMJZAM-HNNXBMFYSA-N 1 2 359.857 2.733 20 30 FFEDLO CCc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)OC(C)(C)C)ccc1C#N ZINC001238761595 1043875706 /nfs/dbraw/zinc/87/57/06/1043875706.db2.gz VIBWSOWGCFUCNE-KDURUIRLSA-N 1 2 371.481 2.941 20 30 FFEDLO CCc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)OC(C)(C)C)ccc1C#N ZINC001238761595 1043875719 /nfs/dbraw/zinc/87/57/19/1043875719.db2.gz VIBWSOWGCFUCNE-KDURUIRLSA-N 1 2 371.481 2.941 20 30 FFEDLO CCc1cc(C[N@H+]2Cc3nccn3C[C@@H](Cn3cccn3)C2)ccc1C#N ZINC001238762546 1043876887 /nfs/dbraw/zinc/87/68/87/1043876887.db2.gz MCFBVSAMUMWDKI-SFHVURJKSA-N 1 2 360.465 2.846 20 30 FFEDLO CCc1cc(C[N@@H+]2Cc3nccn3C[C@@H](Cn3cccn3)C2)ccc1C#N ZINC001238762546 1043876904 /nfs/dbraw/zinc/87/69/04/1043876904.db2.gz MCFBVSAMUMWDKI-SFHVURJKSA-N 1 2 360.465 2.846 20 30 FFEDLO N#Cc1ccc(NC(=S)N2C[C@@H]3COC[C@H](C2)[N@@H+]3C2CCCC2)cc1 ZINC001279912815 1043911921 /nfs/dbraw/zinc/91/19/21/1043911921.db2.gz QQGSBEKUPHINFT-HDICACEKSA-N 1 2 356.495 2.583 20 30 FFEDLO N#Cc1ccc(NC(=S)N2C[C@@H]3COC[C@H](C2)[N@H+]3C2CCCC2)cc1 ZINC001279912815 1043911927 /nfs/dbraw/zinc/91/19/27/1043911927.db2.gz QQGSBEKUPHINFT-HDICACEKSA-N 1 2 356.495 2.583 20 30 FFEDLO CCCCCCCCCCCCS(=O)(=O)NC[C@@H]([NH3+])C(=O)OCC ZINC001238839176 1043921790 /nfs/dbraw/zinc/92/17/90/1043921790.db2.gz COGAJQRPXRKFRD-MRXNPFEDSA-N 1 2 364.552 2.717 20 30 FFEDLO N#CCC1CN(C(=O)[C@@]23C[C@@H]2CC[N@H+]3Cc2cccc(Br)c2)C1 ZINC001279997390 1044064531 /nfs/dbraw/zinc/06/45/31/1044064531.db2.gz QKIVWTOQVCDMNE-MAUKXSAKSA-N 1 2 374.282 2.786 20 30 FFEDLO N#CCC1CN(C(=O)[C@@]23C[C@@H]2CC[N@@H+]3Cc2cccc(Br)c2)C1 ZINC001279997390 1044064543 /nfs/dbraw/zinc/06/45/43/1044064543.db2.gz QKIVWTOQVCDMNE-MAUKXSAKSA-N 1 2 374.282 2.786 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(Cc4ccc(C#N)cc4Cl)C3)C2)cc1C#N ZINC001280038143 1044119013 /nfs/dbraw/zinc/11/90/13/1044119013.db2.gz VTPRKOUOOJYDSE-UHFFFAOYSA-N 1 2 365.868 2.740 20 30 FFEDLO N#Cc1ncnc2ccc(-c3ccc(OCC[NH+]4CCOCC4)cc3)cc12 ZINC001240451158 1044349630 /nfs/dbraw/zinc/34/96/30/1044349630.db2.gz HUVHVQYMTHVAAJ-UHFFFAOYSA-N 1 2 360.417 2.879 20 30 FFEDLO C#CCN(C)c1nnc(C(C)C)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001539147669 1070569027 /nfs/dbraw/zinc/56/90/27/1070569027.db2.gz CVZUMPMHDUMFQL-UHFFFAOYSA-N 1 2 352.486 2.905 20 30 FFEDLO C#CCN(C)c1nnc([C@H]2CCCCO2)n1CCCc1cccc(C)[nH+]1 ZINC001539176567 1070579742 /nfs/dbraw/zinc/57/97/42/1070579742.db2.gz QRIGVORBRIIMIR-GOSISDBHSA-N 1 2 353.470 2.925 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3ccc4[nH]cc(C#N)c4c3)cn2)CC1 ZINC001241560552 1044544711 /nfs/dbraw/zinc/54/47/11/1044544711.db2.gz NOGALKUKAYWKGP-UHFFFAOYSA-N 1 2 360.465 2.761 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3cc(C#N)cc4[nH]ccc43)cn2)CC1 ZINC001241568627 1044556757 /nfs/dbraw/zinc/55/67/57/1044556757.db2.gz POMRLEYCFIPHOW-UHFFFAOYSA-N 1 2 360.465 2.761 20 30 FFEDLO N#C[C@@]1(F)CCN(c2nnc(C3CCC3)n2CCCNc2cccc[nH+]2)C1 ZINC001316527716 1044795418 /nfs/dbraw/zinc/79/54/18/1044795418.db2.gz OVPSLRHYZTYRMN-IBGZPJMESA-N 1 2 369.448 2.885 20 30 FFEDLO CC[C@@H](C)OCC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001316729553 1044849723 /nfs/dbraw/zinc/84/97/23/1044849723.db2.gz ODVVFLUGRCDGPY-MDASCCDHSA-N 1 2 361.461 2.982 20 30 FFEDLO CC[C@@H](C)OCC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001316729553 1044849743 /nfs/dbraw/zinc/84/97/43/1044849743.db2.gz ODVVFLUGRCDGPY-MDASCCDHSA-N 1 2 361.461 2.982 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2C[C@@H](c2ccccc2)C2CC2)CC1 ZINC001539452446 1070640506 /nfs/dbraw/zinc/64/05/06/1070640506.db2.gz SWAFKFSAEUVIMS-FQEVSTJZSA-N 1 2 363.509 2.790 20 30 FFEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@](C)(c2ccc(F)cc2Cl)C1=O ZINC001320139177 1045355028 /nfs/dbraw/zinc/35/50/28/1045355028.db2.gz AEGLMFJJLYWDRN-GOSISDBHSA-N 1 2 363.820 2.549 20 30 FFEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@](C)(c2ccc(F)cc2Cl)C1=O ZINC001320139177 1045355032 /nfs/dbraw/zinc/35/50/32/1045355032.db2.gz AEGLMFJJLYWDRN-GOSISDBHSA-N 1 2 363.820 2.549 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001320165626 1045359715 /nfs/dbraw/zinc/35/97/15/1045359715.db2.gz OABXRKGUNQRFTG-HKUYNNGSSA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001320165626 1045359718 /nfs/dbraw/zinc/35/97/18/1045359718.db2.gz OABXRKGUNQRFTG-HKUYNNGSSA-N 1 2 373.453 2.730 20 30 FFEDLO C=CCO[C@@H]1CCN(C(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)C1 ZINC001320411003 1045403454 /nfs/dbraw/zinc/40/34/54/1045403454.db2.gz KIRCREKPPIAWTR-GOSISDBHSA-N 1 2 352.438 2.814 20 30 FFEDLO C[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)n1cc[nH+]c1 ZINC001320633393 1045440319 /nfs/dbraw/zinc/44/03/19/1045440319.db2.gz LZSRVKWXSOBPEP-CQSZACIVSA-N 1 2 351.410 2.666 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001282347470 1045513816 /nfs/dbraw/zinc/51/38/16/1045513816.db2.gz AMPSBUXHOOSJSB-JZXOWHBKSA-N 1 2 358.486 2.708 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001282538934 1045809641 /nfs/dbraw/zinc/80/96/41/1045809641.db2.gz BHNJVZTZEKZFGD-KZNAEPCWSA-N 1 2 360.502 2.791 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC(F)(F)C(F)F)C1 ZINC001326385583 1046909881 /nfs/dbraw/zinc/90/98/81/1046909881.db2.gz FEZMYPOZCKNLOL-RDBSUJKOSA-N 1 2 366.399 2.696 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccsc2)CC1 ZINC001286474789 1047121174 /nfs/dbraw/zinc/12/11/74/1047121174.db2.gz MDAFWFCLWJXSJY-UHFFFAOYSA-N 1 2 367.478 2.712 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CCc2ccccc2Cl)CC1 ZINC001286480548 1047121247 /nfs/dbraw/zinc/12/12/47/1047121247.db2.gz YSJSKKNUJAILBE-UHFFFAOYSA-N 1 2 369.900 2.807 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(CC)CCC2)CC1 ZINC001286482031 1047122665 /nfs/dbraw/zinc/12/26/65/1047122665.db2.gz ZERMHTMIERLTNM-GOSISDBHSA-N 1 2 371.529 2.508 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nnc(C)o2)C[C@H]1c1ccccc1 ZINC001316643712 1047281165 /nfs/dbraw/zinc/28/11/65/1047281165.db2.gz HCXZINYMWFTGDP-DLBZAZTESA-N 1 2 354.454 2.674 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nnc(C)o2)C[C@H]1c1ccccc1 ZINC001316643712 1047281174 /nfs/dbraw/zinc/28/11/74/1047281174.db2.gz HCXZINYMWFTGDP-DLBZAZTESA-N 1 2 354.454 2.674 20 30 FFEDLO CCCCCCCCC(=O)N1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001288995957 1047557145 /nfs/dbraw/zinc/55/71/45/1047557145.db2.gz YYQJTUQRYYVCCF-DLBZAZTESA-N 1 2 360.502 2.762 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001289395955 1047658126 /nfs/dbraw/zinc/65/81/26/1047658126.db2.gz KTUQCOMMSSIQAK-RHSMWYFYSA-N 1 2 354.454 2.576 20 30 FFEDLO C#CC1(NC(=O)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCCC1 ZINC001331368532 1047894555 /nfs/dbraw/zinc/89/45/55/1047894555.db2.gz OQQIYGALMBPJGX-UHFFFAOYSA-N 1 2 374.444 2.603 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cncc4ccccc43)CC2)cc1 ZINC001331524189 1047984567 /nfs/dbraw/zinc/98/45/67/1047984567.db2.gz CJVCFNMHMOOSIU-UHFFFAOYSA-N 1 2 370.456 2.993 20 30 FFEDLO N#CC1(NC(=O)c2cc(C=O)ccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC001331523677 1047984653 /nfs/dbraw/zinc/98/46/53/1047984653.db2.gz KPVARSXNLCIPNX-UHFFFAOYSA-N 1 2 365.408 2.926 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C)CCCC1 ZINC001290669128 1048293198 /nfs/dbraw/zinc/29/31/98/1048293198.db2.gz GNDXRGIKPLYTPL-VQHPVUNQSA-N 1 2 370.497 2.755 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C)CCCC1 ZINC001290669128 1048293208 /nfs/dbraw/zinc/29/32/08/1048293208.db2.gz GNDXRGIKPLYTPL-VQHPVUNQSA-N 1 2 370.497 2.755 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@@H]3CCC[C@@H](C(F)(F)F)O3)CC2)cn1 ZINC001333050039 1048689366 /nfs/dbraw/zinc/68/93/66/1048689366.db2.gz LSLQGGMQEMSHPU-HOTGVXAUSA-N 1 2 354.376 2.575 20 30 FFEDLO CC#CCCCC(=O)N(C)C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001333987269 1049193173 /nfs/dbraw/zinc/19/31/73/1049193173.db2.gz WXTPDEFKNOWKLW-OPQOLIRYSA-N 1 2 370.497 2.593 20 30 FFEDLO CC#CCCCC(=O)N(C)C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001333987269 1049193185 /nfs/dbraw/zinc/19/31/85/1049193185.db2.gz WXTPDEFKNOWKLW-OPQOLIRYSA-N 1 2 370.497 2.593 20 30 FFEDLO C=CCCCC(=O)N(C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001296883862 1050102093 /nfs/dbraw/zinc/10/20/93/1050102093.db2.gz QKYNULMJTFTKEG-IAGOWNOFSA-N 1 2 358.486 2.567 20 30 FFEDLO C=CCCCC(=O)N(C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001296883862 1050102097 /nfs/dbraw/zinc/10/20/97/1050102097.db2.gz QKYNULMJTFTKEG-IAGOWNOFSA-N 1 2 358.486 2.567 20 30 FFEDLO C=CCC1(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCCC2)CCC1 ZINC001297801018 1050290461 /nfs/dbraw/zinc/29/04/61/1050290461.db2.gz SOVJCKRWHOQBTG-HZPDHXFCSA-N 1 2 370.497 2.805 20 30 FFEDLO C=CCC1(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCCC2)CCC1 ZINC001297801018 1050290471 /nfs/dbraw/zinc/29/04/71/1050290471.db2.gz SOVJCKRWHOQBTG-HZPDHXFCSA-N 1 2 370.497 2.805 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCO[C@H](c2ccco2)C1 ZINC001342100618 1050694929 /nfs/dbraw/zinc/69/49/29/1050694929.db2.gz TVGNXUNHENWFOM-KRWDZBQOSA-N 1 2 357.458 2.621 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(CCC(C)C)C1CC1 ZINC001340330355 1050728278 /nfs/dbraw/zinc/72/82/78/1050728278.db2.gz PXTSBNGWIKNQTF-UHFFFAOYSA-N 1 2 361.534 2.683 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001342191381 1050783776 /nfs/dbraw/zinc/78/37/76/1050783776.db2.gz IQNBHQZZKAFOFS-JFIYKMOQSA-N 1 2 358.486 2.566 20 30 FFEDLO N#Cc1ccc(NCC(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC001301661674 1050948124 /nfs/dbraw/zinc/94/81/24/1050948124.db2.gz LNPZRLWJCMXVQO-GOSISDBHSA-N 1 2 354.841 2.797 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc([C@]2(C)C[C@H](O)C[N@H+]2C)n1CC=C ZINC001340571301 1050957706 /nfs/dbraw/zinc/95/77/06/1050957706.db2.gz MRYPSALTKHFMPS-RXVVDRJESA-N 1 2 367.497 2.568 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc([C@]2(C)C[C@H](O)C[N@@H+]2C)n1CC=C ZINC001340571301 1050957718 /nfs/dbraw/zinc/95/77/18/1050957718.db2.gz MRYPSALTKHFMPS-RXVVDRJESA-N 1 2 367.497 2.568 20 30 FFEDLO C#C[C@H]1CCCN(c2nnc(Cc3[nH+]ccn3C)n2CCc2ccccc2)C1 ZINC001342363563 1050958054 /nfs/dbraw/zinc/95/80/54/1050958054.db2.gz OOSOLSLTKHFEGR-SFHVURJKSA-N 1 2 374.492 2.695 20 30 FFEDLO C=CCn1c(N2CC(C)(C)CC(C)(C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340699981 1051064689 /nfs/dbraw/zinc/06/46/89/1051064689.db2.gz AHJIAZIAUAJCJI-QRWLVFNGSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CC(C)(C)CC(C)(C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340699981 1051064698 /nfs/dbraw/zinc/06/46/98/1051064698.db2.gz AHJIAZIAUAJCJI-QRWLVFNGSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2Cc3ccccc3[C@@H]2CC)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340714740 1051075383 /nfs/dbraw/zinc/07/53/83/1051075383.db2.gz CICAAGADNIINSD-PLMTUMEDSA-N 1 2 367.497 2.847 20 30 FFEDLO C=CCn1c(N2Cc3ccccc3[C@@H]2CC)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340714740 1051075397 /nfs/dbraw/zinc/07/53/97/1051075397.db2.gz CICAAGADNIINSD-PLMTUMEDSA-N 1 2 367.497 2.847 20 30 FFEDLO COCCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1cc(C#N)cs1 ZINC001342655552 1051263626 /nfs/dbraw/zinc/26/36/26/1051263626.db2.gz IRZJAEYUNZYCFK-INIZCTEOSA-N 1 2 374.514 2.651 20 30 FFEDLO COCCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)Cc1cc(C#N)cs1 ZINC001342655552 1051263633 /nfs/dbraw/zinc/26/36/33/1051263633.db2.gz IRZJAEYUNZYCFK-INIZCTEOSA-N 1 2 374.514 2.651 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(OC)CC1 ZINC001342671204 1051279398 /nfs/dbraw/zinc/27/93/98/1051279398.db2.gz BEBNAKBWUBEMQF-UHFFFAOYSA-N 1 2 372.517 2.562 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC(C)C ZINC001342805545 1051414111 /nfs/dbraw/zinc/41/41/11/1051414111.db2.gz WCVAQMRQSJJVHV-QRVBRYPASA-N 1 2 371.529 2.852 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC(C)C ZINC001342805545 1051414117 /nfs/dbraw/zinc/41/41/17/1051414117.db2.gz WCVAQMRQSJJVHV-QRVBRYPASA-N 1 2 371.529 2.852 20 30 FFEDLO CN(CCCc1ccccc1)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001341440584 1051796849 /nfs/dbraw/zinc/79/68/49/1051796849.db2.gz NGTGALBFLGKAEA-UHFFFAOYSA-N 1 2 366.513 2.977 20 30 FFEDLO CCc1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001306064281 1051999945 /nfs/dbraw/zinc/99/99/45/1051999945.db2.gz PLMKKHHYZQSTBL-CQSZACIVSA-N 1 2 367.432 2.952 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]2C1 ZINC001345064153 1052234719 /nfs/dbraw/zinc/23/47/19/1052234719.db2.gz PHMNEHLKGWVPIO-WBVHZDCISA-N 1 2 366.465 2.840 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001307491533 1052313213 /nfs/dbraw/zinc/31/32/13/1052313213.db2.gz XWRFJBVTWLDKJM-SFHVURJKSA-N 1 2 364.405 2.861 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001307491533 1052313217 /nfs/dbraw/zinc/31/32/17/1052313217.db2.gz XWRFJBVTWLDKJM-SFHVURJKSA-N 1 2 364.405 2.861 20 30 FFEDLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC001307589165 1052324608 /nfs/dbraw/zinc/32/46/08/1052324608.db2.gz LIJDVJADWLDHFC-KRWDZBQOSA-N 1 2 362.470 2.544 20 30 FFEDLO CC(C)[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC001307589165 1052324615 /nfs/dbraw/zinc/32/46/15/1052324615.db2.gz LIJDVJADWLDHFC-KRWDZBQOSA-N 1 2 362.470 2.544 20 30 FFEDLO COC(=O)C1([C@@]2(O)CCC[N@H+](Cc3ccc(Cl)cc3C#N)C2)CCC1 ZINC001308106915 1052407101 /nfs/dbraw/zinc/40/71/01/1052407101.db2.gz ICYKYRNQBFSRLV-LJQANCHMSA-N 1 2 362.857 2.882 20 30 FFEDLO COC(=O)C1([C@@]2(O)CCC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)CCC1 ZINC001308106915 1052407104 /nfs/dbraw/zinc/40/71/04/1052407104.db2.gz ICYKYRNQBFSRLV-LJQANCHMSA-N 1 2 362.857 2.882 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@@H]1CCSC1 ZINC001343783686 1052417848 /nfs/dbraw/zinc/41/78/48/1052417848.db2.gz NSKXPUHMJIGRJU-CVEARBPZSA-N 1 2 365.547 2.578 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@@H]1CCSC1 ZINC001343783686 1052417854 /nfs/dbraw/zinc/41/78/54/1052417854.db2.gz NSKXPUHMJIGRJU-CVEARBPZSA-N 1 2 365.547 2.578 20 30 FFEDLO C=CCCC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001343933609 1052497423 /nfs/dbraw/zinc/49/74/23/1052497423.db2.gz JJILQUYPYZEDCB-IEBWSBKVSA-N 1 2 364.449 2.511 20 30 FFEDLO COCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001345706845 1052582865 /nfs/dbraw/zinc/58/28/65/1052582865.db2.gz TVAWQFIVYAOGFR-IAGOWNOFSA-N 1 2 374.533 2.642 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCO[C@](C)(C(F)(F)F)C1 ZINC001345984301 1052695592 /nfs/dbraw/zinc/69/55/92/1052695592.db2.gz SLFBQXZQYJJCIJ-INIZCTEOSA-N 1 2 373.423 2.608 20 30 FFEDLO C=CC[C@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2C[C@H]2CCCO2)C1 ZINC001344587258 1052846924 /nfs/dbraw/zinc/84/69/24/1052846924.db2.gz PTKOLWMTIURTGJ-ZWKOTPCHSA-N 1 2 359.518 2.845 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c(C)cc(C)[nH+]c1C ZINC001346971516 1053493697 /nfs/dbraw/zinc/49/36/97/1053493697.db2.gz ASYMHRFIUJHFMA-SQNIBIBYSA-N 1 2 353.466 2.672 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCC1 ZINC001335701801 1053512629 /nfs/dbraw/zinc/51/26/29/1053512629.db2.gz WSZUZTAHQORHOU-QBPKDAKJSA-N 1 2 370.497 2.661 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCC1 ZINC001335701801 1053512648 /nfs/dbraw/zinc/51/26/48/1053512648.db2.gz WSZUZTAHQORHOU-QBPKDAKJSA-N 1 2 370.497 2.661 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001347128591 1053647519 /nfs/dbraw/zinc/64/75/19/1053647519.db2.gz AFHRASCCMKMQRY-MHORFTMASA-N 1 2 372.513 2.777 20 30 FFEDLO COCC#CC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC001347450095 1053995609 /nfs/dbraw/zinc/99/56/09/1053995609.db2.gz NWUDOQQWSFGMDL-UHFFFAOYSA-N 1 2 363.820 2.744 20 30 FFEDLO C[C@H](CC#N)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1 ZINC001347965814 1054509220 /nfs/dbraw/zinc/50/92/20/1054509220.db2.gz LSPNWOVJIMLKNQ-OAHLLOKOSA-N 1 2 355.490 2.520 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCOC1 ZINC001349021186 1055054957 /nfs/dbraw/zinc/05/49/57/1055054957.db2.gz KYLPSBNRCSEICR-QZTJIDSGSA-N 1 2 372.517 2.601 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCOC1 ZINC001349021186 1055054969 /nfs/dbraw/zinc/05/49/69/1055054969.db2.gz KYLPSBNRCSEICR-QZTJIDSGSA-N 1 2 372.517 2.601 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1C[C@H]2COC[C@@]2(C)C1 ZINC001351982105 1055099239 /nfs/dbraw/zinc/09/92/39/1055099239.db2.gz XULNGNTXLJFAER-SQGPQFPESA-N 1 2 370.501 2.769 20 30 FFEDLO C[C@@H]1c2ccccc2CN1c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001338139766 1055264369 /nfs/dbraw/zinc/26/43/69/1055264369.db2.gz YQMITIKZKNATSF-OAHLLOKOSA-N 1 2 350.470 2.989 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1C ZINC001338505919 1055577684 /nfs/dbraw/zinc/57/76/84/1055577684.db2.gz OHLAVFORHRDUCL-IAGOWNOFSA-N 1 2 360.506 2.507 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)n1C ZINC001338505919 1055577700 /nfs/dbraw/zinc/57/77/00/1055577700.db2.gz OHLAVFORHRDUCL-IAGOWNOFSA-N 1 2 360.506 2.507 20 30 FFEDLO N#Cc1ccc(CCOC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001350049861 1055596438 /nfs/dbraw/zinc/59/64/38/1055596438.db2.gz GIPARIVETWCNDX-FQEVSTJZSA-N 1 2 350.418 2.545 20 30 FFEDLO N#Cc1ccc(CCOC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001350049861 1055596448 /nfs/dbraw/zinc/59/64/48/1055596448.db2.gz GIPARIVETWCNDX-FQEVSTJZSA-N 1 2 350.418 2.545 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001338851034 1055870777 /nfs/dbraw/zinc/87/07/77/1055870777.db2.gz GRAQMPLTHIVUIW-XHSDSOJGSA-N 1 2 365.547 2.576 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001338851034 1055870781 /nfs/dbraw/zinc/87/07/81/1055870781.db2.gz GRAQMPLTHIVUIW-XHSDSOJGSA-N 1 2 365.547 2.576 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001338895259 1055911898 /nfs/dbraw/zinc/91/18/98/1055911898.db2.gz GMVSILCPNCYDMW-RDBSUJKOSA-N 1 2 373.423 2.777 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001338895259 1055911907 /nfs/dbraw/zinc/91/19/07/1055911907.db2.gz GMVSILCPNCYDMW-RDBSUJKOSA-N 1 2 373.423 2.777 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001338994665 1055998260 /nfs/dbraw/zinc/99/82/60/1055998260.db2.gz HJGWIVCSCZJTIE-HOTGVXAUSA-N 1 2 374.558 2.887 20 30 FFEDLO Cn1c([C@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 ZINC001339035654 1056035180 /nfs/dbraw/zinc/03/51/80/1056035180.db2.gz MGKOBYWDWQNUGL-XLIONFOSSA-N 1 2 368.460 2.984 20 30 FFEDLO Cn1c([C@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 ZINC001339035654 1056035190 /nfs/dbraw/zinc/03/51/90/1056035190.db2.gz MGKOBYWDWQNUGL-XLIONFOSSA-N 1 2 368.460 2.984 20 30 FFEDLO Cc1ccc(C(=O)/C=C\C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001339084923 1056077335 /nfs/dbraw/zinc/07/73/35/1056077335.db2.gz AVWBLWLPTXHLSA-DOOKAGJSSA-N 1 2 351.450 2.949 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@@H+]2CCn3c(C(C)C)nnc3[C@H]2C)cc1 ZINC001351374042 1056230318 /nfs/dbraw/zinc/23/03/18/1056230318.db2.gz AZZITRULEGNRCF-OAHLLOKOSA-N 1 2 351.454 2.788 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@H+]2CCn3c(C(C)C)nnc3[C@H]2C)cc1 ZINC001351374042 1056230333 /nfs/dbraw/zinc/23/03/33/1056230333.db2.gz AZZITRULEGNRCF-OAHLLOKOSA-N 1 2 351.454 2.788 20 30 FFEDLO C=CCNC(=S)NCc1c[nH+]cn1Cc1ccc(Br)cc1 ZINC001200302377 1056291187 /nfs/dbraw/zinc/29/11/87/1056291187.db2.gz BQYPRKDAZCTVES-UHFFFAOYSA-N 1 2 365.300 2.844 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCC[C@@H]2C)CC1 ZINC001359033856 1056667077 /nfs/dbraw/zinc/66/70/77/1056667077.db2.gz TYSIKWRGZXJIDY-PKOBYXMFSA-N 1 2 364.497 2.532 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2CC2(Cc3ccccc3)CC2)CC1 ZINC001359036402 1056669121 /nfs/dbraw/zinc/66/91/21/1056669121.db2.gz VZAXOFABKBILKS-UHFFFAOYSA-N 1 2 363.509 2.619 20 30 FFEDLO C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1Cc1c[nH+]ccc1OC ZINC001359116579 1056731507 /nfs/dbraw/zinc/73/15/07/1056731507.db2.gz QNQORFROIRBOQA-QGZVFWFLSA-N 1 2 357.458 2.984 20 30 FFEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCn1cc[nH+]c1 ZINC001443442988 1058206158 /nfs/dbraw/zinc/20/61/58/1058206158.db2.gz FMKOVHOURWQBSY-AWEZNQCLSA-N 1 2 370.881 2.815 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001450836939 1059056967 /nfs/dbraw/zinc/05/69/67/1059056967.db2.gz ZJRMBJFJARWVHB-SJORKVTESA-N 1 2 365.518 2.742 20 30 FFEDLO C=CCC1(C(=O)N[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001354507711 1059086939 /nfs/dbraw/zinc/08/69/39/1059086939.db2.gz FBYOEUALQQLNBK-BZUAXINKSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCC1(C(=O)N[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001354507711 1059086962 /nfs/dbraw/zinc/08/69/62/1059086962.db2.gz FBYOEUALQQLNBK-BZUAXINKSA-N 1 2 358.486 2.661 20 30 FFEDLO Cn1c(N2CC[NH+](Cc3cccc(Cl)c3)CC2)nnc1C(C)(C)CC#N ZINC001519813960 1059095938 /nfs/dbraw/zinc/09/59/38/1059095938.db2.gz KHQYFLUHYNZFGA-UHFFFAOYSA-N 1 2 372.904 2.982 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C2CC2)CC1 ZINC001300683955 1059321420 /nfs/dbraw/zinc/32/14/20/1059321420.db2.gz UWUJQWVXESYKBC-OAHLLOKOSA-N 1 2 369.444 2.647 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(F)c(F)c2)CC1 ZINC001507722271 1059701714 /nfs/dbraw/zinc/70/17/14/1059701714.db2.gz SIIKVLUFKNUCCP-OAHLLOKOSA-N 1 2 373.451 2.873 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2CC2(CC)CCCC2)CC1 ZINC001507726406 1059703072 /nfs/dbraw/zinc/70/30/72/1059703072.db2.gz BJOIKHZPUIXWST-UHFFFAOYSA-N 1 2 355.530 2.956 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC=C ZINC001520504107 1059741897 /nfs/dbraw/zinc/74/18/97/1059741897.db2.gz BDZNGSMTUWZJAV-GOSISDBHSA-N 1 2 352.486 2.549 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001355876588 1060685280 /nfs/dbraw/zinc/68/52/80/1060685280.db2.gz ODBRHORXSMTHPD-TVFCKZIOSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001355876588 1060685292 /nfs/dbraw/zinc/68/52/92/1060685292.db2.gz ODBRHORXSMTHPD-TVFCKZIOSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1ccoc1C ZINC001355887362 1060696176 /nfs/dbraw/zinc/69/61/76/1060696176.db2.gz WVYZJMCWSLNHEE-KRWDZBQOSA-N 1 2 359.474 2.784 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1ccoc1C ZINC001355887362 1060696181 /nfs/dbraw/zinc/69/61/81/1060696181.db2.gz WVYZJMCWSLNHEE-KRWDZBQOSA-N 1 2 359.474 2.784 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@@]2(CC=CCC2)C1 ZINC001355918927 1060725669 /nfs/dbraw/zinc/72/56/69/1060725669.db2.gz FGJRBCKUTSAAAS-UWVAXJGDSA-N 1 2 357.502 2.528 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@@]2(CC=CCC2)C1 ZINC001355918927 1060725674 /nfs/dbraw/zinc/72/56/74/1060725674.db2.gz FGJRBCKUTSAAAS-UWVAXJGDSA-N 1 2 357.502 2.528 20 30 FFEDLO C=C(C)Cn1c(N(CCC#N)CCC(C)C)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001355958843 1060764774 /nfs/dbraw/zinc/76/47/74/1060764774.db2.gz UOTNXJCWVQMMTJ-YLJYHZDGSA-N 1 2 374.533 2.532 20 30 FFEDLO C=C(C)Cn1c(N(CCC#N)CCC(C)C)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001355958843 1060764787 /nfs/dbraw/zinc/76/47/87/1060764787.db2.gz UOTNXJCWVQMMTJ-YLJYHZDGSA-N 1 2 374.533 2.532 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC001460576291 1061019701 /nfs/dbraw/zinc/01/97/01/1061019701.db2.gz DGMZEZJKQZHFRQ-HOTGVXAUSA-N 1 2 373.453 2.639 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC001460576291 1061019714 /nfs/dbraw/zinc/01/97/14/1061019714.db2.gz DGMZEZJKQZHFRQ-HOTGVXAUSA-N 1 2 373.453 2.639 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@H]2C)CC1 ZINC000939921018 1061502308 /nfs/dbraw/zinc/50/23/08/1061502308.db2.gz SAAGMARDRNQWMY-QGPMSJSTSA-N 1 2 370.497 2.539 20 30 FFEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1N(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001522068519 1061539174 /nfs/dbraw/zinc/53/91/74/1061539174.db2.gz HINDYDGWIILAAJ-SQGPQFPESA-N 1 2 358.486 2.688 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H](NS(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC001464132835 1062439641 /nfs/dbraw/zinc/43/96/41/1062439641.db2.gz AXODDIVJFIVVMW-CQSZACIVSA-N 1 2 372.475 2.616 20 30 FFEDLO CC[C@@H]1C[C@@H](C)CN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CCOC ZINC001523616918 1062546659 /nfs/dbraw/zinc/54/66/59/1062546659.db2.gz JFECAWNYPAROGG-SJLPKXTDSA-N 1 2 374.533 2.642 20 30 FFEDLO N#Cc1ccc(CS(=O)(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001464356211 1062564617 /nfs/dbraw/zinc/56/46/17/1062564617.db2.gz DRPBRIMSQCGSKE-IBGZPJMESA-N 1 2 366.446 2.616 20 30 FFEDLO CC(C)C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC001464635437 1062729631 /nfs/dbraw/zinc/72/96/31/1062729631.db2.gz SBFZOPNGXWJWMY-OAHLLOKOSA-N 1 2 355.891 2.562 20 30 FFEDLO CC(C)C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC001464635437 1062729652 /nfs/dbraw/zinc/72/96/52/1062729652.db2.gz SBFZOPNGXWJWMY-OAHLLOKOSA-N 1 2 355.891 2.562 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)COCC2CCCC2)[C@H]1C ZINC001479709143 1062863082 /nfs/dbraw/zinc/86/30/82/1062863082.db2.gz XLWDYBWHHHERFX-HIFRSBDPSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)COCC2CCCC2)[C@H]1C ZINC001479709143 1062863098 /nfs/dbraw/zinc/86/30/98/1062863098.db2.gz XLWDYBWHHHERFX-HIFRSBDPSA-N 1 2 359.308 2.681 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)Nc3ccc(C#N)cc3)C2)cc1 ZINC001464925656 1062909333 /nfs/dbraw/zinc/90/93/33/1062909333.db2.gz VETBEKXNXGQITC-HXUWFJFHSA-N 1 2 364.449 2.889 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)Nc3ccc(C#N)cc3)C2)cc1 ZINC001464925656 1062909356 /nfs/dbraw/zinc/90/93/56/1062909356.db2.gz VETBEKXNXGQITC-HXUWFJFHSA-N 1 2 364.449 2.889 20 30 FFEDLO CC#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1C[C@@H]3C=C[C@H]1CC3)C2 ZINC001479741428 1062985984 /nfs/dbraw/zinc/98/59/84/1062985984.db2.gz SNONYUNQQJWFHT-OWCLPIDISA-N 1 2 355.507 2.743 20 30 FFEDLO C#CC1CCN(c2nnc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)n2CC(C)C)CC1 ZINC001524832514 1063010516 /nfs/dbraw/zinc/01/05/16/1063010516.db2.gz ZXHZXDDQBPHSIH-OALUTQOASA-N 1 2 371.529 2.710 20 30 FFEDLO C#CC1CCN(c2nnc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)n2CC(C)C)CC1 ZINC001524832514 1063010535 /nfs/dbraw/zinc/01/05/35/1063010535.db2.gz ZXHZXDDQBPHSIH-OALUTQOASA-N 1 2 371.529 2.710 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCO1 ZINC001525290885 1063238198 /nfs/dbraw/zinc/23/81/98/1063238198.db2.gz BGRZIJZCIBLGAQ-IAGOWNOFSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCO1 ZINC001525290885 1063238217 /nfs/dbraw/zinc/23/82/17/1063238217.db2.gz BGRZIJZCIBLGAQ-IAGOWNOFSA-N 1 2 372.517 2.744 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](Cc2csc(Cl)n2)C1 ZINC001494063359 1063284007 /nfs/dbraw/zinc/28/40/07/1063284007.db2.gz WATKYIKRXLGGLR-YUELXQCFSA-N 1 2 369.918 2.716 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](Cc2csc(Cl)n2)C1 ZINC001494063359 1063284027 /nfs/dbraw/zinc/28/40/27/1063284027.db2.gz WATKYIKRXLGGLR-YUELXQCFSA-N 1 2 369.918 2.716 20 30 FFEDLO C#C[C@H](NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC001469382896 1064138145 /nfs/dbraw/zinc/13/81/45/1064138145.db2.gz AZUURLPMGUYRES-UWJYYQICSA-N 1 2 365.452 2.827 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NCC3(C#N)CCCC3)C2)cc1 ZINC001470688538 1064412645 /nfs/dbraw/zinc/41/26/45/1064412645.db2.gz HJEVFAIHBDCUPE-LJQANCHMSA-N 1 2 370.497 2.579 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NCC3(C#N)CCCC3)C2)cc1 ZINC001470688538 1064412654 /nfs/dbraw/zinc/41/26/54/1064412654.db2.gz HJEVFAIHBDCUPE-LJQANCHMSA-N 1 2 370.497 2.579 20 30 FFEDLO C=CCC[C@@H](C)[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)[C@H](F)CC)CC1 ZINC001575087494 1078104430 /nfs/dbraw/zinc/10/44/30/1078104430.db2.gz IHQNVKVTVDJUON-RHSMWYFYSA-N 1 2 351.470 2.701 20 30 FFEDLO C[C@@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])c(N)c3C#N)c[nH+]2)C[C@@H](C)O1 ZINC001472772492 1065142764 /nfs/dbraw/zinc/14/27/64/1065142764.db2.gz LEPDVEMYNAXDCD-VXGBXAGGSA-N 1 2 368.397 2.801 20 30 FFEDLO Cc1ccc(C[NH+]2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1C#N ZINC001473118491 1065201976 /nfs/dbraw/zinc/20/19/76/1065201976.db2.gz JTEJIQOLDZELBH-UHFFFAOYSA-N 1 2 374.488 2.574 20 30 FFEDLO C=C(C)C[C@@H]([NH2+][C@H](C)CCN1C(=O)c2ccccc2C1=O)C(=O)OCC ZINC001474686097 1065579602 /nfs/dbraw/zinc/57/96/02/1065579602.db2.gz LKVMXRJTFJQOIH-RHSMWYFYSA-N 1 2 358.438 2.549 20 30 FFEDLO C[N@H+](CCOCc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(F)cc1C#N ZINC001579230009 1078594549 /nfs/dbraw/zinc/59/45/49/1078594549.db2.gz PGUGONBDVGWLIH-UHFFFAOYSA-N 1 2 366.400 2.526 20 30 FFEDLO C[N@@H+](CCOCc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(F)cc1C#N ZINC001579230009 1078594552 /nfs/dbraw/zinc/59/45/52/1078594552.db2.gz PGUGONBDVGWLIH-UHFFFAOYSA-N 1 2 366.400 2.526 20 30 FFEDLO Cn1c[nH+]c(CCNC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1 ZINC001584478565 1079356211 /nfs/dbraw/zinc/35/62/11/1079356211.db2.gz RCFQOCXEBBRRFZ-UHFFFAOYSA-N 1 2 360.417 2.843 20 30 FFEDLO COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 ZINC001555122647 1075644949 /nfs/dbraw/zinc/64/49/49/1075644949.db2.gz HQRAFDXRWWDAGF-IBGZPJMESA-N 1 2 372.448 2.761 20 30 FFEDLO N#Cc1cccc(Oc2ccnc(N3CC[NH+](Cc4cccnc4)CC3)n2)c1 ZINC001559061125 1076121901 /nfs/dbraw/zinc/12/19/01/1076121901.db2.gz TZRFYXVTODZHKB-UHFFFAOYSA-N 1 2 372.432 2.858 20 30 FFEDLO N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C(F)C(F)(F)F)C2)c1 ZINC001565896121 1076786514 /nfs/dbraw/zinc/78/65/14/1076786514.db2.gz UUFZLZOKQCFYGC-ZNMIVQPWSA-N 1 2 357.351 2.833 20 30 FFEDLO N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H](F)C(F)(F)F)C2)c1 ZINC001565896121 1076786516 /nfs/dbraw/zinc/78/65/16/1076786516.db2.gz UUFZLZOKQCFYGC-ZNMIVQPWSA-N 1 2 357.351 2.833 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H]2C[N@H+](Cc3nc(C(C)C)no3)CC[C@@H]2C1 ZINC001566042128 1076870682 /nfs/dbraw/zinc/87/06/82/1076870682.db2.gz FWDLCEWFZGHUSM-SJORKVTESA-N 1 2 358.486 2.667 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C(C)C)no3)CC[C@@H]2C1 ZINC001566042128 1076870687 /nfs/dbraw/zinc/87/06/87/1076870687.db2.gz FWDLCEWFZGHUSM-SJORKVTESA-N 1 2 358.486 2.667 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C4CC4)no3)CC[C@@H]2C1 ZINC001566044923 1076873516 /nfs/dbraw/zinc/87/35/16/1076873516.db2.gz RBXJYGIVJXXDDA-MSOLQXFVSA-N 1 2 370.497 2.996 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C4CC4)no3)CC[C@@H]2C1 ZINC001566044923 1076873520 /nfs/dbraw/zinc/87/35/20/1076873520.db2.gz RBXJYGIVJXXDDA-MSOLQXFVSA-N 1 2 370.497 2.996 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2cccs2)[C@@H]1C ZINC001566090694 1076895327 /nfs/dbraw/zinc/89/53/27/1076895327.db2.gz YOKZFTKUBQJYSJ-ZBFHGGJFSA-N 1 2 363.527 2.546 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2cccs2)[C@@H]1C ZINC001566090694 1076895331 /nfs/dbraw/zinc/89/53/31/1076895331.db2.gz YOKZFTKUBQJYSJ-ZBFHGGJFSA-N 1 2 363.527 2.546 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001573232729 1077615847 /nfs/dbraw/zinc/61/58/47/1077615847.db2.gz KQXCIMLOJIQNHA-NUJGCVRESA-N 1 2 360.502 2.688 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001573232729 1077615849 /nfs/dbraw/zinc/61/58/49/1077615849.db2.gz KQXCIMLOJIQNHA-NUJGCVRESA-N 1 2 360.502 2.688 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CC[C@@H]2CCO[C@H](C)C2)CC1 ZINC001588742308 1080178492 /nfs/dbraw/zinc/17/84/92/1080178492.db2.gz QEIUMZCSCMTMHA-QZTJIDSGSA-N 1 2 373.545 2.536 20 30 FFEDLO COc1ccc(C(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1OC ZINC000025286207 249337810 /nfs/dbraw/zinc/33/78/10/249337810.db2.gz JQLVBSLAKZFXHU-UHFFFAOYSA-N 1 2 365.433 2.533 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091629244 249947036 /nfs/dbraw/zinc/94/70/36/249947036.db2.gz FWFKUJMFSYCYNM-WMZOPIPTSA-N 1 2 365.437 2.578 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091629244 249947038 /nfs/dbraw/zinc/94/70/38/249947038.db2.gz FWFKUJMFSYCYNM-WMZOPIPTSA-N 1 2 365.437 2.578 20 30 FFEDLO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101558574 250077748 /nfs/dbraw/zinc/07/77/48/250077748.db2.gz UZGOUPZJPFXLSX-OAHLLOKOSA-N 1 2 358.461 2.657 20 30 FFEDLO N#Cc1cccc(OC2CC[NH+]([C@H](C(N)=O)c3ccc(F)cc3)CC2)c1 ZINC000104713602 250183713 /nfs/dbraw/zinc/18/37/13/250183713.db2.gz XVZTUVWVFXJTRL-IBGZPJMESA-N 1 2 353.397 2.767 20 30 FFEDLO N#Cc1cccc(OC2CC[NH+]([C@@H](C(N)=O)c3ccc(F)cc3)CC2)c1 ZINC000104713605 250184986 /nfs/dbraw/zinc/18/49/86/250184986.db2.gz XVZTUVWVFXJTRL-LJQANCHMSA-N 1 2 353.397 2.767 20 30 FFEDLO Cn1c(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)nnc1C1CCC1 ZINC000181094613 251239686 /nfs/dbraw/zinc/23/96/86/251239686.db2.gz WWVVGSWXTHERBS-UHFFFAOYSA-N 1 2 350.470 2.667 20 30 FFEDLO Cn1c(C[N@H+]2CCCN(c3ccccc3C#N)CC2)nnc1C1CCC1 ZINC000181094613 251239692 /nfs/dbraw/zinc/23/96/92/251239692.db2.gz WWVVGSWXTHERBS-UHFFFAOYSA-N 1 2 350.470 2.667 20 30 FFEDLO CCC[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000272647070 252089540 /nfs/dbraw/zinc/08/95/40/252089540.db2.gz ZYQYGMWJLNZGHL-PMACEKPBSA-N 1 2 355.482 2.798 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)N(C)Cc2cn3c([nH+]2)CCCC3)c(C#N)c1C ZINC000372994677 512123497 /nfs/dbraw/zinc/12/34/97/512123497.db2.gz FKBYINGXDCXFQM-ZDUSSCGKSA-N 1 2 355.442 2.760 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+](CC(=O)N2CCCCCC2)C(C)C)c(C#N)c1C ZINC000285745279 257002528 /nfs/dbraw/zinc/00/25/28/257002528.db2.gz QPOZGQYLFPCJFL-UHFFFAOYSA-N 1 2 374.485 2.820 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+](CC(=O)N2CCCCCC2)C(C)C)c(C#N)c1C ZINC000285745279 257002529 /nfs/dbraw/zinc/00/25/29/257002529.db2.gz QPOZGQYLFPCJFL-UHFFFAOYSA-N 1 2 374.485 2.820 20 30 FFEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000287900591 257128010 /nfs/dbraw/zinc/12/80/10/257128010.db2.gz SFHCSJOHXJOIDJ-AWEZNQCLSA-N 1 2 370.434 2.663 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)C1=O ZINC000289770132 257298217 /nfs/dbraw/zinc/29/82/17/257298217.db2.gz ZTKPCRRBOBFUNT-XHSDSOJGSA-N 1 2 357.479 2.759 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)C1=O ZINC000289770132 257298218 /nfs/dbraw/zinc/29/82/18/257298218.db2.gz ZTKPCRRBOBFUNT-XHSDSOJGSA-N 1 2 357.479 2.759 20 30 FFEDLO COc1ccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000290390845 257329575 /nfs/dbraw/zinc/32/95/75/257329575.db2.gz SGTORQOXBWIOFE-GOSISDBHSA-N 1 2 371.462 2.573 20 30 FFEDLO COc1ccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000290390845 257329576 /nfs/dbraw/zinc/32/95/76/257329576.db2.gz SGTORQOXBWIOFE-GOSISDBHSA-N 1 2 371.462 2.573 20 30 FFEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000301070775 258022535 /nfs/dbraw/zinc/02/25/35/258022535.db2.gz GTWRNVNCSAQARH-JKSUJKDBSA-N 1 2 358.461 2.514 20 30 FFEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000301213194 258034462 /nfs/dbraw/zinc/03/44/62/258034462.db2.gz XAZZHTMHOPXJRB-OAHLLOKOSA-N 1 2 360.889 2.735 20 30 FFEDLO CCCc1noc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000299655833 258014221 /nfs/dbraw/zinc/01/42/21/258014221.db2.gz QGRTZVKVEUIXRJ-UHFFFAOYSA-N 1 2 353.426 2.744 20 30 FFEDLO COc1ccc([C@@H](CNc2ccc(C)c(C#N)n2)[NH+]2CCOCC2)cc1 ZINC000302715676 258108799 /nfs/dbraw/zinc/10/87/99/258108799.db2.gz NCOUDBCZIHTLLY-LJQANCHMSA-N 1 2 352.438 2.756 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(O)(C(F)F)CC1 ZINC000331180567 258179095 /nfs/dbraw/zinc/17/90/95/258179095.db2.gz YVDFRLZLZKFABA-SNVBAGLBSA-N 1 2 357.788 2.631 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](O)C2)c1C#N ZINC000331523231 258189725 /nfs/dbraw/zinc/18/97/25/258189725.db2.gz AAMZUKOLXWOMHT-ACJLOTCBSA-N 1 2 358.486 2.733 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c1C#N ZINC000331523231 258189726 /nfs/dbraw/zinc/18/97/26/258189726.db2.gz AAMZUKOLXWOMHT-ACJLOTCBSA-N 1 2 358.486 2.733 20 30 FFEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000072073611 136141852 /nfs/dbraw/zinc/14/18/52/136141852.db2.gz VJKSOSKZGKRPKI-HFCFLWKCSA-N 1 2 354.498 2.764 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000066848444 506665632 /nfs/dbraw/zinc/66/56/32/506665632.db2.gz IKHUXTARILDVGJ-ICSRJNTNSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000066848444 506665636 /nfs/dbraw/zinc/66/56/36/506665636.db2.gz IKHUXTARILDVGJ-ICSRJNTNSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)c1 ZINC000066878154 506679668 /nfs/dbraw/zinc/67/96/68/506679668.db2.gz MEOHAJVGFZCFFP-UHFFFAOYSA-N 1 2 368.481 2.658 20 30 FFEDLO N#Cc1cccc(C[NH+]2CCN(Cc3nc(-c4cccs4)no3)CC2)c1 ZINC000055259049 506711723 /nfs/dbraw/zinc/71/17/23/506711723.db2.gz OMVAHZKGACYBIF-UHFFFAOYSA-N 1 2 365.462 2.988 20 30 FFEDLO NC(=[NH+]OCc1noc(C2CC2)n1)c1ccc(OCc2cccnc2)cc1 ZINC000067099136 506757194 /nfs/dbraw/zinc/75/71/94/506757194.db2.gz POTABMVKCBOLHM-UHFFFAOYSA-N 1 2 365.393 2.758 20 30 FFEDLO C=CC[N@H+](CC(=O)NC(=O)NCc1cccs1)Cc1ccccc1F ZINC000056312326 506980895 /nfs/dbraw/zinc/98/08/95/506980895.db2.gz CEGRMTUWKQXLIR-UHFFFAOYSA-N 1 2 361.442 2.901 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC(=O)NCc1cccs1)Cc1ccccc1F ZINC000056312326 506980899 /nfs/dbraw/zinc/98/08/99/506980899.db2.gz CEGRMTUWKQXLIR-UHFFFAOYSA-N 1 2 361.442 2.901 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc(C#N)cc3)c[nH+]2)CCO1 ZINC000045956075 507051949 /nfs/dbraw/zinc/05/19/49/507051949.db2.gz AEOXZYUCNNSGNB-CQSZACIVSA-N 1 2 351.410 2.500 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc(C#N)cc3)c[nH+]2)C[C@H](C)O1 ZINC000045956111 507052655 /nfs/dbraw/zinc/05/26/55/507052655.db2.gz XXMPYIOMZAXUSB-GASCZTMLSA-N 1 2 365.437 2.889 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000045968887 507055715 /nfs/dbraw/zinc/05/57/15/507055715.db2.gz JCTYPMOYYNTVQC-UHFFFAOYSA-N 1 2 372.494 2.878 20 30 FFEDLO C#Cc1cccc(NC(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c1 ZINC000045987888 507058516 /nfs/dbraw/zinc/05/85/16/507058516.db2.gz UIRPUNHPKAUNEP-OAHLLOKOSA-N 1 2 350.422 2.610 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)cc1 ZINC000016497550 507094038 /nfs/dbraw/zinc/09/40/38/507094038.db2.gz OYUPHSLHSLRANY-UHFFFAOYSA-N 1 2 373.460 2.712 20 30 FFEDLO C[C@H](Oc1ccccc1C#N)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046620419 507160105 /nfs/dbraw/zinc/16/01/05/507160105.db2.gz RNYRRMGHWDLBHU-HNNXBMFYSA-N 1 2 350.422 2.506 20 30 FFEDLO Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000019541244 507177148 /nfs/dbraw/zinc/17/71/48/507177148.db2.gz ZPKFTPYVOUPGHA-UHFFFAOYSA-N 1 2 362.477 2.931 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068475739 507244381 /nfs/dbraw/zinc/24/43/81/507244381.db2.gz CXTCVLFOAHWJPI-CVEARBPZSA-N 1 2 359.470 2.830 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068475739 507244384 /nfs/dbraw/zinc/24/43/84/507244384.db2.gz CXTCVLFOAHWJPI-CVEARBPZSA-N 1 2 359.470 2.830 20 30 FFEDLO CC1CCC(NC(=O)C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000021404910 507253761 /nfs/dbraw/zinc/25/37/61/507253761.db2.gz FYNSSALDYGZEBL-UHFFFAOYSA-N 1 2 368.525 2.761 20 30 FFEDLO CC1CCC(NC(=O)C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000021404910 507253768 /nfs/dbraw/zinc/25/37/68/507253768.db2.gz FYNSSALDYGZEBL-UHFFFAOYSA-N 1 2 368.525 2.761 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1Cl ZINC000375440015 512329357 /nfs/dbraw/zinc/32/93/57/512329357.db2.gz VFDLBHYLOQTJEJ-ZDUSSCGKSA-N 1 2 371.828 2.900 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1Cl ZINC000375440015 512329360 /nfs/dbraw/zinc/32/93/60/512329360.db2.gz VFDLBHYLOQTJEJ-ZDUSSCGKSA-N 1 2 371.828 2.900 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000068760158 507316512 /nfs/dbraw/zinc/31/65/12/507316512.db2.gz AESVSRKHOMPQHX-QGZVFWFLSA-N 1 2 373.460 2.575 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000068806813 507329966 /nfs/dbraw/zinc/32/99/66/507329966.db2.gz PWHHPRCLLFADTJ-FQEVSTJZSA-N 1 2 364.424 2.625 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)Cc1cccc(C#N)c1 ZINC000068826820 507336259 /nfs/dbraw/zinc/33/62/59/507336259.db2.gz FWWLUNMLDJFCQM-PMACEKPBSA-N 1 2 353.466 2.716 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)Cc1cccc(C#N)c1 ZINC000068826820 507336262 /nfs/dbraw/zinc/33/62/62/507336262.db2.gz FWWLUNMLDJFCQM-PMACEKPBSA-N 1 2 353.466 2.716 20 30 FFEDLO CCN(C(=O)[C@@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1)C1CCCCC1 ZINC000047859702 507401749 /nfs/dbraw/zinc/40/17/49/507401749.db2.gz ZDHYRMNZLLZUMW-QGZVFWFLSA-N 1 2 369.513 2.645 20 30 FFEDLO C=CCNC(=O)[C@@H](C)Sc1nnc([C@@H](CC)[NH+](C)C)n1CCCC ZINC000069449772 507492297 /nfs/dbraw/zinc/49/22/97/507492297.db2.gz PGIGQOKIVVKWKP-ZIAGYGMSSA-N 1 2 353.536 2.874 20 30 FFEDLO N#Cc1ccc(NC(=O)CCN2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000026336622 507579738 /nfs/dbraw/zinc/57/97/38/507579738.db2.gz PGLMMCWCTLLXOJ-UHFFFAOYSA-N 1 2 354.479 2.766 20 30 FFEDLO CCOc1ccc(N2C(=O)C[C@H]([N@H+](C)Cc3cccc(C#N)c3)C2=O)cc1 ZINC000027051559 507629321 /nfs/dbraw/zinc/62/93/21/507629321.db2.gz ZNMBXPHCGDQSSM-IBGZPJMESA-N 1 2 363.417 2.721 20 30 FFEDLO CCOc1ccc(N2C(=O)C[C@H]([N@@H+](C)Cc3cccc(C#N)c3)C2=O)cc1 ZINC000027051559 507629329 /nfs/dbraw/zinc/62/93/29/507629329.db2.gz ZNMBXPHCGDQSSM-IBGZPJMESA-N 1 2 363.417 2.721 20 30 FFEDLO C=CC[N@H+](CC(=O)NC(=O)NCc1cccs1)Cc1cccc(C#N)c1 ZINC000063300436 507713989 /nfs/dbraw/zinc/71/39/89/507713989.db2.gz GGWBYPAFGSTYON-UHFFFAOYSA-N 1 2 368.462 2.634 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC(=O)NCc1cccs1)Cc1cccc(C#N)c1 ZINC000063300436 507713994 /nfs/dbraw/zinc/71/39/94/507713994.db2.gz GGWBYPAFGSTYON-UHFFFAOYSA-N 1 2 368.462 2.634 20 30 FFEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000051180022 507746813 /nfs/dbraw/zinc/74/68/13/507746813.db2.gz PHILTJSLNMUROG-BRWVUGGUSA-N 1 2 372.488 2.997 20 30 FFEDLO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028961145 507752668 /nfs/dbraw/zinc/75/26/68/507752668.db2.gz PYBIQTFTBSOSFF-GHTZIAJQSA-N 1 2 368.525 2.761 20 30 FFEDLO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028961145 507752669 /nfs/dbraw/zinc/75/26/69/507752669.db2.gz PYBIQTFTBSOSFF-GHTZIAJQSA-N 1 2 368.525 2.761 20 30 FFEDLO COC(=O)c1ccc([C@H](C)[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)o1 ZINC000029227772 507769677 /nfs/dbraw/zinc/76/96/77/507769677.db2.gz SKYCECJMNKGYFP-LBPRGKRZSA-N 1 2 370.409 2.686 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1C#N ZINC000063802834 507772107 /nfs/dbraw/zinc/77/21/07/507772107.db2.gz OSUQJGAFVCEHKX-SGTLLEGYSA-N 1 2 362.499 2.621 20 30 FFEDLO C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029446294 507778509 /nfs/dbraw/zinc/77/85/09/507778509.db2.gz PYNOUTCVJUBCQV-ZDUSSCGKSA-N 1 2 366.450 2.948 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3cccc(F)c3C#N)CC2)[C@@H]1C ZINC000029856342 507792903 /nfs/dbraw/zinc/79/29/03/507792903.db2.gz MGHHFROYVAGXOG-MDZRGWNJSA-N 1 2 372.488 2.760 20 30 FFEDLO Cc1ccc([C@H](CNc2nnc(C)c(C)c2C#N)[NH+]2CCOCC2)cc1 ZINC000052488430 507810521 /nfs/dbraw/zinc/81/05/21/507810521.db2.gz WFGLUXKMGGPLSH-IBGZPJMESA-N 1 2 351.454 2.759 20 30 FFEDLO C=CC[N@@H+](Cc1nnc2n1c1ccsc1c(=O)n2C)Cc1ccccc1 ZINC000052579285 507814750 /nfs/dbraw/zinc/81/47/50/507814750.db2.gz FVSLGVMLERRTAS-UHFFFAOYSA-N 1 2 365.462 2.831 20 30 FFEDLO C=CC[N@H+](Cc1nnc2n1c1ccsc1c(=O)n2C)Cc1ccccc1 ZINC000052579285 507814752 /nfs/dbraw/zinc/81/47/52/507814752.db2.gz FVSLGVMLERRTAS-UHFFFAOYSA-N 1 2 365.462 2.831 20 30 FFEDLO CC(C)C1CC[NH+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000072717370 507846704 /nfs/dbraw/zinc/84/67/04/507846704.db2.gz ZIOIXDBNDWSCNU-INIZCTEOSA-N 1 2 352.438 2.880 20 30 FFEDLO CC(=O)c1cccc(NC(=O)[C@H](C)O[NH+]=C(N)Cc2csc(C)n2)c1 ZINC000072920159 507873676 /nfs/dbraw/zinc/87/36/76/507873676.db2.gz NILDCOHFDGCNKG-NSHDSACASA-N 1 2 360.439 2.513 20 30 FFEDLO Cc1ccc2cccc(NC(=O)N(CCC#N)CC[NH+]3CCOCC3)c2n1 ZINC000078572150 507884873 /nfs/dbraw/zinc/88/48/73/507884873.db2.gz CYCDDPRAJFNTQO-UHFFFAOYSA-N 1 2 367.453 2.623 20 30 FFEDLO C[C@H](O)[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000089933387 507886507 /nfs/dbraw/zinc/88/65/07/507886507.db2.gz MTKCZGADPSXDLD-KBPBESRZSA-N 1 2 361.511 2.920 20 30 FFEDLO C[C@H](O)[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000089933387 507886508 /nfs/dbraw/zinc/88/65/08/507886508.db2.gz MTKCZGADPSXDLD-KBPBESRZSA-N 1 2 361.511 2.920 20 30 FFEDLO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078615953 507889517 /nfs/dbraw/zinc/88/95/17/507889517.db2.gz KJUXEVDUJVJFDQ-NQIIRXRSSA-N 1 2 362.477 2.574 20 30 FFEDLO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078615948 507889617 /nfs/dbraw/zinc/88/96/17/507889617.db2.gz KJUXEVDUJVJFDQ-RXVVDRJESA-N 1 2 362.477 2.574 20 30 FFEDLO C=CC[N@@H+](CCOc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000108870965 507922672 /nfs/dbraw/zinc/92/26/72/507922672.db2.gz LOUWMEALHADBPH-ZDUSSCGKSA-N 1 2 363.401 2.759 20 30 FFEDLO C=CC[N@H+](CCOc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000108870965 507922675 /nfs/dbraw/zinc/92/26/75/507922675.db2.gz LOUWMEALHADBPH-ZDUSSCGKSA-N 1 2 363.401 2.759 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)Cc1cccc(C#N)c1 ZINC000073794086 507956730 /nfs/dbraw/zinc/95/67/30/507956730.db2.gz UJRBZVKQJJOWDZ-UHFFFAOYSA-N 1 2 368.462 2.726 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(OCc3ccc(F)cc3)CC2)cc1 ZINC000091889087 508021923 /nfs/dbraw/zinc/02/19/23/508021923.db2.gz LIOMEJPRHORHTR-FQEVSTJZSA-N 1 2 367.424 2.905 20 30 FFEDLO C[S@](=O)c1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1 ZINC000091918342 508024280 /nfs/dbraw/zinc/02/42/80/508024280.db2.gz SNKNSDOAAFYSOB-RUZDIDTESA-N 1 2 357.454 2.757 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000091980723 508029673 /nfs/dbraw/zinc/02/96/73/508029673.db2.gz ABEYZLZBBDBFQO-DLBZAZTESA-N 1 2 360.477 2.512 20 30 FFEDLO N#Cc1cccc(OCCCCC(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000110624146 508037977 /nfs/dbraw/zinc/03/79/77/508037977.db2.gz UWXNDUNXLBGFJS-UHFFFAOYSA-N 1 2 366.465 2.999 20 30 FFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000075299048 508095490 /nfs/dbraw/zinc/09/54/90/508095490.db2.gz RQHIDAWDVJTQRX-FUHWJXTLSA-N 1 2 358.405 2.574 20 30 FFEDLO CC[C@H]1CCCCN1C(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000080904402 508110168 /nfs/dbraw/zinc/11/01/68/508110168.db2.gz CEKQQMANXBOEFF-PMACEKPBSA-N 1 2 354.498 2.660 20 30 FFEDLO COc1cc(C[NH+]2CCN(C(=O)C3(C#N)CCCCC3)CC2)cc(OC)c1 ZINC000081009093 508123988 /nfs/dbraw/zinc/12/39/88/508123988.db2.gz QMDOQOCPELCCOL-UHFFFAOYSA-N 1 2 371.481 2.822 20 30 FFEDLO CC1CCN(c2ccc(CNS(=O)(=O)c3cccc(C#N)c3)c[nH+]2)CC1 ZINC000075789066 508133790 /nfs/dbraw/zinc/13/37/90/508133790.db2.gz NRSBXGWQBBOECG-UHFFFAOYSA-N 1 2 370.478 2.668 20 30 FFEDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093416788 508145219 /nfs/dbraw/zinc/14/52/19/508145219.db2.gz BDCLRNUELHUARI-MRXNPFEDSA-N 1 2 374.510 2.719 20 30 FFEDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093416788 508145221 /nfs/dbraw/zinc/14/52/21/508145221.db2.gz BDCLRNUELHUARI-MRXNPFEDSA-N 1 2 374.510 2.719 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1coc(-c2cccc(F)c2)n1 ZINC000081515492 508184661 /nfs/dbraw/zinc/18/46/61/508184661.db2.gz DZVTVBNRLVTHEA-UHFFFAOYSA-N 1 2 358.417 2.529 20 30 FFEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3c(C)noc3C)c2)n1 ZINC000101540911 508244124 /nfs/dbraw/zinc/24/41/24/508244124.db2.gz HMTKIKHISVBGCJ-UHFFFAOYSA-N 1 2 353.426 2.990 20 30 FFEDLO CC(=O)Nc1cccc(CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)c1 ZINC000101540808 508244126 /nfs/dbraw/zinc/24/41/26/508244126.db2.gz LHKAIOVATCFDPS-UHFFFAOYSA-N 1 2 367.453 2.867 20 30 FFEDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)cc1 ZINC000101554738 508245460 /nfs/dbraw/zinc/24/54/60/508245460.db2.gz WREGRTKZRSXPDD-MRXNPFEDSA-N 1 2 364.449 2.716 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(CO)CC1 ZINC000076991694 508271653 /nfs/dbraw/zinc/27/16/53/508271653.db2.gz DYPUOXYHPBVXRO-ZDUSSCGKSA-N 1 2 361.511 2.920 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc(F)c(C#N)c3)c[nH+]2)CCO1 ZINC000077499576 508323966 /nfs/dbraw/zinc/32/39/66/508323966.db2.gz LBYLUHVRKVYDPC-CYBMUJFWSA-N 1 2 369.400 2.639 20 30 FFEDLO N#CCCCCS(=O)(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000104109362 508328342 /nfs/dbraw/zinc/32/83/42/508328342.db2.gz SYMLVEBPMGGBKQ-UHFFFAOYSA-N 1 2 369.918 2.871 20 30 FFEDLO N#CCCCCS(=O)(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000104109362 508328346 /nfs/dbraw/zinc/32/83/46/508328346.db2.gz SYMLVEBPMGGBKQ-UHFFFAOYSA-N 1 2 369.918 2.871 20 30 FFEDLO CCOc1cc2c(cc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)O[C@@H](C)C2 ZINC000115595615 508415611 /nfs/dbraw/zinc/41/56/11/508415611.db2.gz DFTJTQCAJVRDKI-RNODOKPDSA-N 1 2 365.433 2.597 20 30 FFEDLO C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000115675209 508424841 /nfs/dbraw/zinc/42/48/41/508424841.db2.gz NOORQYBUEDSFLF-HNNXBMFYSA-N 1 2 360.421 2.886 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c(C#N)c1C ZINC000152404691 508439840 /nfs/dbraw/zinc/43/98/40/508439840.db2.gz VFFABYQQKLGEKG-AWEZNQCLSA-N 1 2 368.441 2.513 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)c(C#N)c1C ZINC000152404691 508439845 /nfs/dbraw/zinc/43/98/45/508439845.db2.gz VFFABYQQKLGEKG-AWEZNQCLSA-N 1 2 368.441 2.513 20 30 FFEDLO CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000115842420 508445262 /nfs/dbraw/zinc/44/52/62/508445262.db2.gz LPTHXQCDNCDCFW-IERDGZPVSA-N 1 2 372.513 2.542 20 30 FFEDLO CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000115842420 508445265 /nfs/dbraw/zinc/44/52/65/508445265.db2.gz LPTHXQCDNCDCFW-IERDGZPVSA-N 1 2 372.513 2.542 20 30 FFEDLO N#Cc1ccc(OC2CN(C(=O)NCc3ccccc3-n3cc[nH+]c3)C2)cc1 ZINC000133976350 508475908 /nfs/dbraw/zinc/47/59/08/508475908.db2.gz DJRXKOJUCQYSIW-UHFFFAOYSA-N 1 2 373.416 2.717 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000156895475 508492796 /nfs/dbraw/zinc/49/27/96/508492796.db2.gz FSZNJGGNPVNCAC-SFHVURJKSA-N 1 2 355.463 2.518 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000156895475 508492800 /nfs/dbraw/zinc/49/28/00/508492800.db2.gz FSZNJGGNPVNCAC-SFHVURJKSA-N 1 2 355.463 2.518 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000116285907 508494741 /nfs/dbraw/zinc/49/47/41/508494741.db2.gz SDMKOXZRHZXXGV-ICSRJNTNSA-N 1 2 350.418 2.988 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000116285907 508494745 /nfs/dbraw/zinc/49/47/45/508494745.db2.gz SDMKOXZRHZXXGV-ICSRJNTNSA-N 1 2 350.418 2.988 20 30 FFEDLO CC[C@H](O)C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000156934070 508498861 /nfs/dbraw/zinc/49/88/61/508498861.db2.gz FAMPQURSRXOGEQ-IBGZPJMESA-N 1 2 372.490 2.605 20 30 FFEDLO CC[C@H](O)C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000156934070 508498865 /nfs/dbraw/zinc/49/88/65/508498865.db2.gz FAMPQURSRXOGEQ-IBGZPJMESA-N 1 2 372.490 2.605 20 30 FFEDLO C=CCNC(=O)CN1CC[NH+](Cc2cnc(-c3ccc(C)cc3)s2)CC1 ZINC000122255680 508507579 /nfs/dbraw/zinc/50/75/79/508507579.db2.gz LQEWAZLQWYGJFY-UHFFFAOYSA-N 1 2 370.522 2.538 20 30 FFEDLO CC[C@H](O)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000134488444 508539153 /nfs/dbraw/zinc/53/91/53/508539153.db2.gz VMQHKCMLFZNGMD-IBGZPJMESA-N 1 2 372.490 2.605 20 30 FFEDLO CC[C@H](O)C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000134488444 508539158 /nfs/dbraw/zinc/53/91/58/508539158.db2.gz VMQHKCMLFZNGMD-IBGZPJMESA-N 1 2 372.490 2.605 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000369418195 512402894 /nfs/dbraw/zinc/40/28/94/512402894.db2.gz NJDWGYJLBDSTGZ-QUCCMNQESA-N 1 2 354.381 2.505 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000369418195 512402899 /nfs/dbraw/zinc/40/28/99/512402899.db2.gz NJDWGYJLBDSTGZ-QUCCMNQESA-N 1 2 354.381 2.505 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C(C)C)c1 ZINC000157485915 508571884 /nfs/dbraw/zinc/57/18/84/508571884.db2.gz PCYZTOWGVYPEGY-GOSISDBHSA-N 1 2 372.513 2.643 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCNC(=O)C(C)C)c1 ZINC000157485915 508571886 /nfs/dbraw/zinc/57/18/86/508571886.db2.gz PCYZTOWGVYPEGY-GOSISDBHSA-N 1 2 372.513 2.643 20 30 FFEDLO O=C(C[NH+]1CCN(CC#Cc2ccccc2Cl)CC1)NC1CCCCC1 ZINC000135182801 508590201 /nfs/dbraw/zinc/59/02/01/508590201.db2.gz OXAIRLQRYHZAHK-UHFFFAOYSA-N 1 2 373.928 2.758 20 30 FFEDLO N#C[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CCN1Cc1ccccc1 ZINC000117672134 508611532 /nfs/dbraw/zinc/61/15/32/508611532.db2.gz NNMWPZVIXHYZHN-OAQYLSRUSA-N 1 2 371.444 2.722 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000117747428 508616723 /nfs/dbraw/zinc/61/67/23/508616723.db2.gz MFZNKFBYLDAORI-NRFANRHFSA-N 1 2 371.444 2.895 20 30 FFEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000158017989 508645471 /nfs/dbraw/zinc/64/54/71/508645471.db2.gz WKHJVLLJOPCSRE-UHFFFAOYSA-N 1 2 350.397 2.900 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCOC2(CCC2)C1 ZINC000154126281 508721862 /nfs/dbraw/zinc/72/18/62/508721862.db2.gz PIWVQFPHEPKIRC-MRXNPFEDSA-N 1 2 357.454 2.585 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCOC2(CCC2)C1 ZINC000154126281 508721865 /nfs/dbraw/zinc/72/18/65/508721865.db2.gz PIWVQFPHEPKIRC-MRXNPFEDSA-N 1 2 357.454 2.585 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H](O)C2)cc1OC ZINC000158770687 508750858 /nfs/dbraw/zinc/75/08/58/508750858.db2.gz LFRFWXYHALWSCB-ZDUSSCGKSA-N 1 2 356.260 2.979 20 30 FFEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](O)C2)cc1OC ZINC000158770687 508750854 /nfs/dbraw/zinc/75/08/54/508750854.db2.gz LFRFWXYHALWSCB-ZDUSSCGKSA-N 1 2 356.260 2.979 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000140952326 508809974 /nfs/dbraw/zinc/80/99/74/508809974.db2.gz CLNHBPFJYMPXEI-ABAIWWIYSA-N 1 2 355.360 2.520 20 30 FFEDLO Cc1cccc(NC(=O)CN2CC[NH+](Cc3ccc(C#N)s3)CC2)c1C ZINC000119552255 508817339 /nfs/dbraw/zinc/81/73/39/508817339.db2.gz KWFGKKDRLAFNFW-UHFFFAOYSA-N 1 2 368.506 2.993 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(-c2cccnc2)c1 ZINC000154750009 508848468 /nfs/dbraw/zinc/84/84/68/508848468.db2.gz MFSLFTCQDQXLNB-UHFFFAOYSA-N 1 2 350.466 2.796 20 30 FFEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1cccc(-c2cccnc2)c1 ZINC000154750009 508848470 /nfs/dbraw/zinc/84/84/70/508848470.db2.gz MFSLFTCQDQXLNB-UHFFFAOYSA-N 1 2 350.466 2.796 20 30 FFEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1cccc(-c2cccnc2)c1 ZINC000154750009 508848473 /nfs/dbraw/zinc/84/84/73/508848473.db2.gz MFSLFTCQDQXLNB-UHFFFAOYSA-N 1 2 350.466 2.796 20 30 FFEDLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccc(C#N)s1 ZINC000130809881 508849888 /nfs/dbraw/zinc/84/98/88/508849888.db2.gz DHHLDVYLOHGJCK-UHFFFAOYSA-N 1 2 365.256 2.848 20 30 FFEDLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccc(C#N)s1 ZINC000130809881 508849882 /nfs/dbraw/zinc/84/98/82/508849882.db2.gz DHHLDVYLOHGJCK-UHFFFAOYSA-N 1 2 365.256 2.848 20 30 FFEDLO N#Cc1ccc(C[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)o1 ZINC000119738550 508854092 /nfs/dbraw/zinc/85/40/92/508854092.db2.gz KWZPZWWHQFXNJS-UHFFFAOYSA-N 1 2 358.199 2.989 20 30 FFEDLO Cc1cc(CN(CCC#N)CC[NH+]2CCOCC2)ccc1Br ZINC000154795998 508857456 /nfs/dbraw/zinc/85/74/56/508857456.db2.gz PGEWKSUQZZIWIK-UHFFFAOYSA-N 1 2 366.303 2.805 20 30 FFEDLO CC(C)OCC[NH+]1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000119791104 508863519 /nfs/dbraw/zinc/86/35/19/508863519.db2.gz JMTPYCAFGZGRFT-UHFFFAOYSA-N 1 2 352.276 2.868 20 30 FFEDLO Cc1cccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000159769468 508888175 /nfs/dbraw/zinc/88/81/75/508888175.db2.gz VXCWGHPCQAHGJF-IBGZPJMESA-N 1 2 355.463 2.873 20 30 FFEDLO Cc1cccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000159769468 508888178 /nfs/dbraw/zinc/88/81/78/508888178.db2.gz VXCWGHPCQAHGJF-IBGZPJMESA-N 1 2 355.463 2.873 20 30 FFEDLO Cc1cc2oc(=O)cc(C[NH+]3CCN(c4ncccc4C#N)CC3)c2cc1C ZINC000119981599 508903164 /nfs/dbraw/zinc/90/31/64/508903164.db2.gz HAYXXUOCLVLZOZ-UHFFFAOYSA-N 1 2 374.444 2.999 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159913949 508910794 /nfs/dbraw/zinc/91/07/94/508910794.db2.gz DICSWNQADXJFBO-OAHLLOKOSA-N 1 2 354.541 2.717 20 30 FFEDLO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccc(C#N)s1 ZINC000120290241 508966003 /nfs/dbraw/zinc/96/60/03/508966003.db2.gz HYDFUTHCEIGJJQ-UHFFFAOYSA-N 1 2 364.492 2.924 20 30 FFEDLO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccc(C#N)s1 ZINC000120290241 508966008 /nfs/dbraw/zinc/96/60/08/508966008.db2.gz HYDFUTHCEIGJJQ-UHFFFAOYSA-N 1 2 364.492 2.924 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000132287860 509010870 /nfs/dbraw/zinc/01/08/70/509010870.db2.gz GIBSGOCOGXZLPB-INIZCTEOSA-N 1 2 352.438 2.857 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000132287860 509010873 /nfs/dbraw/zinc/01/08/73/509010873.db2.gz GIBSGOCOGXZLPB-INIZCTEOSA-N 1 2 352.438 2.857 20 30 FFEDLO CC(C)Oc1ccccc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000155511396 509017185 /nfs/dbraw/zinc/01/71/85/509017185.db2.gz PETTZWUVBODFAE-MRXNPFEDSA-N 1 2 351.454 2.846 20 30 FFEDLO CC(C)Oc1ccccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000155511396 509017187 /nfs/dbraw/zinc/01/71/87/509017187.db2.gz PETTZWUVBODFAE-MRXNPFEDSA-N 1 2 351.454 2.846 20 30 FFEDLO C=CC[C@H]1N(C(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CCCC1(C)C ZINC000411000805 512433925 /nfs/dbraw/zinc/43/39/25/512433925.db2.gz DKJDPFGZCMMFSB-QGZVFWFLSA-N 1 2 372.513 2.771 20 30 FFEDLO C[C@H](Cc1ccccc1Cl)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000151648889 509059148 /nfs/dbraw/zinc/05/91/48/509059148.db2.gz DGZKHKYUDHDSCJ-MRXNPFEDSA-N 1 2 363.889 2.593 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)CC2 ZINC000151832111 509092491 /nfs/dbraw/zinc/09/24/91/509092491.db2.gz SGOXQVGVVKNQFR-VFNWGFHPSA-N 1 2 371.481 2.651 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)CC2 ZINC000151832111 509092493 /nfs/dbraw/zinc/09/24/93/509092493.db2.gz SGOXQVGVVKNQFR-VFNWGFHPSA-N 1 2 371.481 2.651 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000120953514 509096149 /nfs/dbraw/zinc/09/61/49/509096149.db2.gz BELOXKULVPGPJT-SFHVURJKSA-N 1 2 353.397 2.943 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000120953514 509096153 /nfs/dbraw/zinc/09/61/53/509096153.db2.gz BELOXKULVPGPJT-SFHVURJKSA-N 1 2 353.397 2.943 20 30 FFEDLO C=CCNC(=O)[C@@H](C)Sc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000126586523 509099013 /nfs/dbraw/zinc/09/90/13/509099013.db2.gz KAUDGMLIYYTYRK-CYBMUJFWSA-N 1 2 353.451 2.657 20 30 FFEDLO C[C@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)[NH+]1CCSCC1 ZINC000151904369 509107618 /nfs/dbraw/zinc/10/76/18/509107618.db2.gz YWJKCNQPLCQLBP-RISCZKNCSA-N 1 2 368.300 2.567 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000156134129 509132346 /nfs/dbraw/zinc/13/23/46/509132346.db2.gz WOAKLFLEAGWFCC-MRXNPFEDSA-N 1 2 354.406 2.633 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000156134129 509132348 /nfs/dbraw/zinc/13/23/48/509132348.db2.gz WOAKLFLEAGWFCC-MRXNPFEDSA-N 1 2 354.406 2.633 20 30 FFEDLO N#Cc1ccc(/C=C/C(=O)N2CCC[N@H+](Cc3cscn3)CC2)cc1 ZINC000263892311 509213042 /nfs/dbraw/zinc/21/30/42/509213042.db2.gz XCBXMUIRLCAUBL-VOTSOKGWSA-N 1 2 352.463 2.762 20 30 FFEDLO N#Cc1ccc(/C=C/C(=O)N2CCC[N@@H+](Cc3cscn3)CC2)cc1 ZINC000263892311 509213051 /nfs/dbraw/zinc/21/30/51/509213051.db2.gz XCBXMUIRLCAUBL-VOTSOKGWSA-N 1 2 352.463 2.762 20 30 FFEDLO Cc1ccc(C(C)(C)CC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000162506748 509238597 /nfs/dbraw/zinc/23/85/97/509238597.db2.gz IYJMZNCZCPWREJ-UHFFFAOYSA-N 1 2 357.498 2.737 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000192103191 509347679 /nfs/dbraw/zinc/34/76/79/509347679.db2.gz NHBQJWKEWDUNBQ-APWZRJJASA-N 1 2 372.488 2.510 20 30 FFEDLO C#CCCCC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000192127547 509358994 /nfs/dbraw/zinc/35/89/94/509358994.db2.gz LVWBPKRNOMAXGQ-UHFFFAOYSA-N 1 2 358.873 2.826 20 30 FFEDLO C#CCCCC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000192127547 509359003 /nfs/dbraw/zinc/35/90/03/509359003.db2.gz LVWBPKRNOMAXGQ-UHFFFAOYSA-N 1 2 358.873 2.826 20 30 FFEDLO COc1ccccc1CC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000176231204 509393293 /nfs/dbraw/zinc/39/32/93/509393293.db2.gz DNIIQOAVDDOUGK-UHFFFAOYSA-N 1 2 358.463 2.515 20 30 FFEDLO COc1ccccc1CC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000176231204 509393303 /nfs/dbraw/zinc/39/33/03/509393303.db2.gz DNIIQOAVDDOUGK-UHFFFAOYSA-N 1 2 358.463 2.515 20 30 FFEDLO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)c(Cl)c1O ZINC000186039916 509495276 /nfs/dbraw/zinc/49/52/76/509495276.db2.gz DELVQTBUTWWEJT-HXPJWWMGSA-N 1 2 370.236 2.876 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000164411654 509500044 /nfs/dbraw/zinc/50/00/44/509500044.db2.gz ZGMPGTWOMLOHNQ-MRXNPFEDSA-N 1 2 366.440 2.842 20 30 FFEDLO CC(C)Nc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000267754939 509598322 /nfs/dbraw/zinc/59/83/22/509598322.db2.gz CMAFHENVCIVVBB-UHFFFAOYSA-N 1 2 363.465 2.732 20 30 FFEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3ccc(C#N)nc3)CC2)cs1 ZINC000267782586 509611121 /nfs/dbraw/zinc/61/11/21/509611121.db2.gz NPVHGQOZFKTHRP-CQSZACIVSA-N 1 2 357.483 2.829 20 30 FFEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3ccc(C#N)nc3)CC2)cs1 ZINC000267782586 509611129 /nfs/dbraw/zinc/61/11/29/509611129.db2.gz NPVHGQOZFKTHRP-CQSZACIVSA-N 1 2 357.483 2.829 20 30 FFEDLO CC(C)c1nnc2n1CC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H]2C ZINC000189512909 509612103 /nfs/dbraw/zinc/61/21/03/509612103.db2.gz JXMGRWCUALMQIX-LBPRGKRZSA-N 1 2 358.471 2.740 20 30 FFEDLO CC(C)c1nnc2n1CC[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]2C ZINC000189512909 509612116 /nfs/dbraw/zinc/61/21/16/509612116.db2.gz JXMGRWCUALMQIX-LBPRGKRZSA-N 1 2 358.471 2.740 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000186288828 509624894 /nfs/dbraw/zinc/62/48/94/509624894.db2.gz PRXJUJZTBBDKSA-ROUUACIJSA-N 1 2 354.498 2.638 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000186288828 509624898 /nfs/dbraw/zinc/62/48/98/509624898.db2.gz PRXJUJZTBBDKSA-ROUUACIJSA-N 1 2 354.498 2.638 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000186297061 509630615 /nfs/dbraw/zinc/63/06/15/509630615.db2.gz OJLOXZYUJFWCJG-GOSISDBHSA-N 1 2 374.488 2.826 20 30 FFEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccnc(C#N)c2)C[C@H](C)O1 ZINC000192763349 509633092 /nfs/dbraw/zinc/63/30/92/509633092.db2.gz OKULDVYNPQCKCZ-GJZGRUSLSA-N 1 2 350.422 2.815 20 30 FFEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000189598300 509655461 /nfs/dbraw/zinc/65/54/61/509655461.db2.gz CWQHAPIJETWOIG-PMACEKPBSA-N 1 2 350.418 2.724 20 30 FFEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000189598300 509655465 /nfs/dbraw/zinc/65/54/65/509655465.db2.gz CWQHAPIJETWOIG-PMACEKPBSA-N 1 2 350.418 2.724 20 30 FFEDLO COc1cccc(F)c1[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000179898475 509666451 /nfs/dbraw/zinc/66/64/51/509666451.db2.gz WBIFPRRPNVACJO-ZDUSSCGKSA-N 1 2 362.426 2.830 20 30 FFEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000170702151 509731150 /nfs/dbraw/zinc/73/11/50/509731150.db2.gz RPAUWFXZQKIBPG-UHFFFAOYSA-N 1 2 366.469 2.859 20 30 FFEDLO C=C(C)CN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000183418464 509776947 /nfs/dbraw/zinc/77/69/47/509776947.db2.gz QMSYKJXTZSSYBM-IAGOWNOFSA-N 1 2 351.878 2.929 20 30 FFEDLO C=C(C)CN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000183418464 509776950 /nfs/dbraw/zinc/77/69/50/509776950.db2.gz QMSYKJXTZSSYBM-IAGOWNOFSA-N 1 2 351.878 2.929 20 30 FFEDLO COc1cc(C[NH+]2CCN(Cc3ccc(C#N)s3)CC2)cc(OC)c1 ZINC000180163936 509787074 /nfs/dbraw/zinc/78/70/74/509787074.db2.gz PMGADUHABMNZJQ-UHFFFAOYSA-N 1 2 357.479 2.955 20 30 FFEDLO COc1cc(CN2CC[NH+](Cc3ccc(C#N)s3)CC2)cc(OC)c1 ZINC000180163936 509787083 /nfs/dbraw/zinc/78/70/83/509787083.db2.gz PMGADUHABMNZJQ-UHFFFAOYSA-N 1 2 357.479 2.955 20 30 FFEDLO N#CCCCCNC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000170887457 509832267 /nfs/dbraw/zinc/83/22/67/509832267.db2.gz YIEABJITQDJBHV-UHFFFAOYSA-N 1 2 364.877 2.740 20 30 FFEDLO CCCn1nc(C)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000268360992 509888027 /nfs/dbraw/zinc/88/80/27/509888027.db2.gz WRDPJFPXNZBBTB-UHFFFAOYSA-N 1 2 365.481 2.740 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000265187229 509909846 /nfs/dbraw/zinc/90/98/46/509909846.db2.gz BRSRGRFFKWHQMR-SJORKVTESA-N 1 2 364.449 2.626 20 30 FFEDLO N#Cc1ccc(F)c(CNC(=O)N2CCC[N@H+](Cc3cscn3)CC2)c1 ZINC000174031275 509915331 /nfs/dbraw/zinc/91/53/31/509915331.db2.gz SAJITXWHAUBSPW-UHFFFAOYSA-N 1 2 373.457 2.571 20 30 FFEDLO N#Cc1ccc(F)c(CNC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)c1 ZINC000174031275 509915342 /nfs/dbraw/zinc/91/53/42/509915342.db2.gz SAJITXWHAUBSPW-UHFFFAOYSA-N 1 2 373.457 2.571 20 30 FFEDLO COc1cccc(C=C2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)c1 ZINC000268442076 509933912 /nfs/dbraw/zinc/93/39/12/509933912.db2.gz HEXOOHPVEKGUGG-UHFFFAOYSA-N 1 2 366.465 2.830 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000268456218 509940025 /nfs/dbraw/zinc/94/00/25/509940025.db2.gz CLRQKFAGMVIZBX-GOSISDBHSA-N 1 2 367.474 2.832 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000268456218 509940029 /nfs/dbraw/zinc/94/00/29/509940029.db2.gz CLRQKFAGMVIZBX-GOSISDBHSA-N 1 2 367.474 2.832 20 30 FFEDLO C[C@H]1CN(C)c2ccccc2C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000177391405 510032679 /nfs/dbraw/zinc/03/26/79/510032679.db2.gz MNNZBPQODDHFOQ-INIZCTEOSA-N 1 2 369.490 2.672 20 30 FFEDLO C[C@H]1CN(C)c2ccccc2C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000177391405 510032687 /nfs/dbraw/zinc/03/26/87/510032687.db2.gz MNNZBPQODDHFOQ-INIZCTEOSA-N 1 2 369.490 2.672 20 30 FFEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1 ZINC000190561439 510208319 /nfs/dbraw/zinc/20/83/19/510208319.db2.gz GSMGKKNQVKRTBL-UHFFFAOYSA-N 1 2 354.385 2.574 20 30 FFEDLO N#Cc1ccc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)c(Cl)c1 ZINC000269133990 510252180 /nfs/dbraw/zinc/25/21/80/510252180.db2.gz LYDAINSTNCKDKN-UHFFFAOYSA-N 1 2 355.829 2.956 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000181099488 510275959 /nfs/dbraw/zinc/27/59/59/510275959.db2.gz UJJBEUHPLABODW-QGZVFWFLSA-N 1 2 355.486 2.906 20 30 FFEDLO CC(C)n1cnnc1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000246153349 510326138 /nfs/dbraw/zinc/32/61/38/510326138.db2.gz MRCBNFNWJMPILT-WBVHZDCISA-N 1 2 366.469 2.937 20 30 FFEDLO CC(C)n1cnnc1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000246153349 510326147 /nfs/dbraw/zinc/32/61/47/510326147.db2.gz MRCBNFNWJMPILT-WBVHZDCISA-N 1 2 366.469 2.937 20 30 FFEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000184666139 510448938 /nfs/dbraw/zinc/44/89/38/510448938.db2.gz UMBRLCYYDYLHHP-OAHLLOKOSA-N 1 2 372.494 2.781 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181537448 510460713 /nfs/dbraw/zinc/46/07/13/510460713.db2.gz NIAKNRFJGYWKHK-IEBWSBKVSA-N 1 2 355.482 2.661 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181537448 510460718 /nfs/dbraw/zinc/46/07/18/510460718.db2.gz NIAKNRFJGYWKHK-IEBWSBKVSA-N 1 2 355.482 2.661 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185073455 510668540 /nfs/dbraw/zinc/66/85/40/510668540.db2.gz PMJVFMKMKRTALV-KZULUSFZSA-N 1 2 359.405 2.581 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185073434 510669669 /nfs/dbraw/zinc/66/96/69/510669669.db2.gz PMJVFMKMKRTALV-SGTLLEGYSA-N 1 2 359.405 2.581 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@@](C)(C(N)=O)c1ccccc1 ZINC000195227452 510725679 /nfs/dbraw/zinc/72/56/79/510725679.db2.gz PTNIGODHPZYFFY-HXUWFJFHSA-N 1 2 369.490 2.894 20 30 FFEDLO CCC1(CC)C[N@H+](CCOc2ccc(C#N)cc2OC)CC[S@@]1=O ZINC000185261243 510777194 /nfs/dbraw/zinc/77/71/94/510777194.db2.gz XSNKBJOJBXAJDQ-DEOSSOPVSA-N 1 2 350.484 2.569 20 30 FFEDLO CCC1(CC)C[N@@H+](CCOc2ccc(C#N)cc2OC)CC[S@@]1=O ZINC000185261243 510777201 /nfs/dbraw/zinc/77/72/01/510777201.db2.gz XSNKBJOJBXAJDQ-DEOSSOPVSA-N 1 2 350.484 2.569 20 30 FFEDLO CSc1nnc(CNC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000329915543 510876657 /nfs/dbraw/zinc/87/66/57/510876657.db2.gz DDPCURPEDMXDTN-LOWVWBTDSA-N 1 2 358.533 2.850 20 30 FFEDLO CSc1nnc(CNC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000329915543 510876662 /nfs/dbraw/zinc/87/66/62/510876662.db2.gz DDPCURPEDMXDTN-LOWVWBTDSA-N 1 2 358.533 2.850 20 30 FFEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)N=c2[nH]c3ccccc3s2)C1 ZINC000329930112 510880322 /nfs/dbraw/zinc/88/03/22/510880322.db2.gz ZJVSKGPINHBBEM-CQSZACIVSA-N 1 2 360.483 2.884 20 30 FFEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)N=c2[nH]c3ccccc3s2)C1 ZINC000329930112 510880325 /nfs/dbraw/zinc/88/03/25/510880325.db2.gz ZJVSKGPINHBBEM-CQSZACIVSA-N 1 2 360.483 2.884 20 30 FFEDLO CCN1CCN(CC(=O)Nc2cc(C(C)(C)C)no2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329974159 510891326 /nfs/dbraw/zinc/89/13/26/510891326.db2.gz ZZCJBTLLUPZOLL-ZDUSSCGKSA-N 1 2 360.462 2.662 20 30 FFEDLO O=C(NC[C@@H]1CCC2(CCCCC2)O1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000330025046 510901413 /nfs/dbraw/zinc/90/14/13/510901413.db2.gz ARPWQTYNPUDNRR-IBGZPJMESA-N 1 2 372.513 2.995 20 30 FFEDLO CCc1nn(C)c(CC)c1CC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330076460 510911163 /nfs/dbraw/zinc/91/11/63/510911163.db2.gz DSKKPDLSWWTVAV-ACJLOTCBSA-N 1 2 359.474 2.698 20 30 FFEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000330074025 510911676 /nfs/dbraw/zinc/91/16/76/510911676.db2.gz CNQRIMSIJQNXDK-OAHLLOKOSA-N 1 2 366.506 2.714 20 30 FFEDLO Cc1noc([C@@H]2CCCC[N@@H+]2[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000285463059 510916347 /nfs/dbraw/zinc/91/63/47/510916347.db2.gz AIHPLXBRNQVPKU-ZWKOTPCHSA-N 1 2 365.437 2.972 20 30 FFEDLO Cc1noc([C@@H]2CCCC[N@H+]2[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000285463059 510916351 /nfs/dbraw/zinc/91/63/51/510916351.db2.gz AIHPLXBRNQVPKU-ZWKOTPCHSA-N 1 2 365.437 2.972 20 30 FFEDLO C=C(C)COc1cc(C[NH+]2CC([C@@H](F)C(=O)OCC)C2)ccc1OC ZINC000294006963 510927043 /nfs/dbraw/zinc/92/70/43/510927043.db2.gz TYLHCZCOOIRLET-GOSISDBHSA-N 1 2 351.418 2.983 20 30 FFEDLO O=C(C[N@@H+]1CCOC2(CCOCC2)C1)NCCc1cccc2cccnc21 ZINC000330178178 510931162 /nfs/dbraw/zinc/93/11/62/510931162.db2.gz LKFJZAQZDYSEPV-UHFFFAOYSA-N 1 2 369.465 2.615 20 30 FFEDLO O=C(C[N@H+]1CCOC2(CCOCC2)C1)NCCc1cccc2cccnc21 ZINC000330178178 510931166 /nfs/dbraw/zinc/93/11/66/510931166.db2.gz LKFJZAQZDYSEPV-UHFFFAOYSA-N 1 2 369.465 2.615 20 30 FFEDLO C[C@@H]1CN(c2cccc(F)c2)CCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000330233071 510943027 /nfs/dbraw/zinc/94/30/27/510943027.db2.gz XSUXMSJMXFEVDW-HIFRSBDPSA-N 1 2 357.433 2.531 20 30 FFEDLO C[C@@H]1CN(c2cccc(F)c2)CCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000330233071 510943032 /nfs/dbraw/zinc/94/30/32/510943032.db2.gz XSUXMSJMXFEVDW-HIFRSBDPSA-N 1 2 357.433 2.531 20 30 FFEDLO Cc1nccc(NC(=O)N2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)n1 ZINC000330268123 510952298 /nfs/dbraw/zinc/95/22/98/510952298.db2.gz IMFLFWWWAYZPGE-CQSZACIVSA-N 1 2 372.498 2.774 20 30 FFEDLO Cc1nccc(NC(=O)N2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)n1 ZINC000330268123 510952302 /nfs/dbraw/zinc/95/23/02/510952302.db2.gz IMFLFWWWAYZPGE-CQSZACIVSA-N 1 2 372.498 2.774 20 30 FFEDLO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330327387 510964851 /nfs/dbraw/zinc/96/48/51/510964851.db2.gz KWFHEICAOWJZDC-TZMCWYRMSA-N 1 2 373.457 2.747 20 30 FFEDLO CCN1CCN(C(=O)N[C@@H]2CCC[C@H](SC)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330336149 510968456 /nfs/dbraw/zinc/96/84/56/510968456.db2.gz SEGZOQDTSVXAFB-ILXRZTDVSA-N 1 2 351.520 2.677 20 30 FFEDLO O=C(NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000330341071 510970242 /nfs/dbraw/zinc/97/02/42/510970242.db2.gz YTUNCERKQQSXDZ-RYUDHWBXSA-N 1 2 367.375 2.880 20 30 FFEDLO CCN1CCN(C(=O)Nc2cccc(Cl)c2OC)C[C@H]1c1[nH]cc[nH+]1 ZINC000330354932 510972769 /nfs/dbraw/zinc/97/27/69/510972769.db2.gz PZYQCESORIKLKP-AWEZNQCLSA-N 1 2 363.849 2.996 20 30 FFEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000330357503 510973443 /nfs/dbraw/zinc/97/34/43/510973443.db2.gz SWOYBCQLHZNCFL-NUTKFTJISA-N 1 2 367.877 2.648 20 30 FFEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000330357503 510973445 /nfs/dbraw/zinc/97/34/45/510973445.db2.gz SWOYBCQLHZNCFL-NUTKFTJISA-N 1 2 367.877 2.648 20 30 FFEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000330357503 510973447 /nfs/dbraw/zinc/97/34/47/510973447.db2.gz SWOYBCQLHZNCFL-NUTKFTJISA-N 1 2 367.877 2.648 20 30 FFEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000330357503 510973451 /nfs/dbraw/zinc/97/34/51/510973451.db2.gz SWOYBCQLHZNCFL-NUTKFTJISA-N 1 2 367.877 2.648 20 30 FFEDLO NC(=[NH+]OCCO[C@H]1CCCCO1)c1cccc(OCc2cccnc2)c1 ZINC000278485082 510994199 /nfs/dbraw/zinc/99/41/99/510994199.db2.gz GFCDHHMLFKYBOL-IBGZPJMESA-N 1 2 371.437 2.841 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000278904538 511012917 /nfs/dbraw/zinc/01/29/17/511012917.db2.gz QAXLOMOSSAIGII-OAQYLSRUSA-N 1 2 351.450 2.588 20 30 FFEDLO COc1ccccc1O[C@@H]1CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000286334124 511023787 /nfs/dbraw/zinc/02/37/87/511023787.db2.gz GCLZMJYEGNSWOO-OXQOHEQNSA-N 1 2 359.470 2.593 20 30 FFEDLO COc1ccccc1O[C@@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000286334124 511023790 /nfs/dbraw/zinc/02/37/90/511023790.db2.gz GCLZMJYEGNSWOO-OXQOHEQNSA-N 1 2 359.470 2.593 20 30 FFEDLO Cc1cccnc1OC1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000279273908 511025946 /nfs/dbraw/zinc/02/59/46/511025946.db2.gz NRMTYYCLNYVQHA-UHFFFAOYSA-N 1 2 356.470 2.576 20 30 FFEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000330945267 511030954 /nfs/dbraw/zinc/03/09/54/511030954.db2.gz JVGDQKGIEANWSH-MWLCHTKSSA-N 1 2 359.257 2.528 20 30 FFEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000330945267 511030955 /nfs/dbraw/zinc/03/09/55/511030955.db2.gz JVGDQKGIEANWSH-MWLCHTKSSA-N 1 2 359.257 2.528 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000297735342 511051519 /nfs/dbraw/zinc/05/15/19/511051519.db2.gz NZESAPKPYLUPHQ-KRWDZBQOSA-N 1 2 358.486 2.711 20 30 FFEDLO C[C@H](NC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)c1ccc(Cl)s1 ZINC000331242304 511053945 /nfs/dbraw/zinc/05/39/45/511053945.db2.gz NNDXWPWPVVITCA-WDEREUQCSA-N 1 2 374.894 2.544 20 30 FFEDLO C[C@H](NC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)c1ccc(Cl)s1 ZINC000331242304 511053950 /nfs/dbraw/zinc/05/39/50/511053950.db2.gz NNDXWPWPVVITCA-WDEREUQCSA-N 1 2 374.894 2.544 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)s1 ZINC000331293679 511057338 /nfs/dbraw/zinc/05/73/38/511057338.db2.gz BZPSZQNLCMELTQ-UHFFFAOYSA-N 1 2 369.556 2.698 20 30 FFEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000297773526 511064072 /nfs/dbraw/zinc/06/40/72/511064072.db2.gz GGIFLTVUQCPGMO-QWHCGFSZSA-N 1 2 369.918 2.502 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000297773526 511064073 /nfs/dbraw/zinc/06/40/73/511064073.db2.gz GGIFLTVUQCPGMO-QWHCGFSZSA-N 1 2 369.918 2.502 20 30 FFEDLO CC(=O)c1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000331496384 511065611 /nfs/dbraw/zinc/06/56/11/511065611.db2.gz YLDBCTXDWLJTDE-BTYIYWSLSA-N 1 2 355.482 2.733 20 30 FFEDLO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000331496384 511065615 /nfs/dbraw/zinc/06/56/15/511065615.db2.gz YLDBCTXDWLJTDE-BTYIYWSLSA-N 1 2 355.482 2.733 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000289090411 511093230 /nfs/dbraw/zinc/09/32/30/511093230.db2.gz FBGMLRVIJZIKRP-UHFFFAOYSA-N 1 2 354.454 2.545 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)NCc2ccc(Cl)cc2)n1 ZINC000279675714 511173541 /nfs/dbraw/zinc/17/35/41/511173541.db2.gz FYBMELOZSJPQLH-HNNXBMFYSA-N 1 2 358.873 2.697 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)NCc2ccc(Cl)cc2)n1 ZINC000279675714 511173548 /nfs/dbraw/zinc/17/35/48/511173548.db2.gz FYBMELOZSJPQLH-HNNXBMFYSA-N 1 2 358.873 2.697 20 30 FFEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000362339426 511176188 /nfs/dbraw/zinc/17/61/88/511176188.db2.gz GWQXQYOXOUYILH-LJQANCHMSA-N 1 2 354.454 2.751 20 30 FFEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000362339426 511176191 /nfs/dbraw/zinc/17/61/91/511176191.db2.gz GWQXQYOXOUYILH-LJQANCHMSA-N 1 2 354.454 2.751 20 30 FFEDLO C=CCOc1cccc(C[NH+]2CCC(C(=O)OCC)([S@](C)=O)CC2)c1 ZINC000294816948 511187939 /nfs/dbraw/zinc/18/79/39/511187939.db2.gz OMZSUBRRNHZYSQ-VWLOTQADSA-N 1 2 365.495 2.528 20 30 FFEDLO C=CCN(C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1)C1CC1 ZINC000271472962 511216541 /nfs/dbraw/zinc/21/65/41/511216541.db2.gz RNXAXKRKMZOPKT-SFHVURJKSA-N 1 2 370.453 2.887 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000363013980 511297288 /nfs/dbraw/zinc/29/72/88/511297288.db2.gz GOJCOQJSQFQCHA-AWEZNQCLSA-N 1 2 355.829 2.820 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000363013980 511297290 /nfs/dbraw/zinc/29/72/90/511297290.db2.gz GOJCOQJSQFQCHA-AWEZNQCLSA-N 1 2 355.829 2.820 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCCN(Cc3ccccc3)C2=O)n1 ZINC000365180172 511303090 /nfs/dbraw/zinc/30/30/90/511303090.db2.gz SVQHLPQBWAUJND-FQEVSTJZSA-N 1 2 350.466 2.529 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@H]2CCCN(Cc3ccccc3)C2=O)n1 ZINC000365180172 511303095 /nfs/dbraw/zinc/30/30/95/511303095.db2.gz SVQHLPQBWAUJND-FQEVSTJZSA-N 1 2 350.466 2.529 20 30 FFEDLO Cc1ncc(CO)c(/C=N/c2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1O ZINC000298679942 511372511 /nfs/dbraw/zinc/37/25/11/511372511.db2.gz WHUFTRRDBKEKEX-MGLPWTSFSA-N 1 2 369.465 2.948 20 30 FFEDLO CN(Cc1cn2c([nH+]1)CCCC2)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000365402725 511428967 /nfs/dbraw/zinc/42/89/67/511428967.db2.gz KCFVWFVPVJVXOM-IBGZPJMESA-N 1 2 363.465 2.718 20 30 FFEDLO COc1c(O)cccc1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000272249108 511479021 /nfs/dbraw/zinc/47/90/21/511479021.db2.gz HWJYGKWRDAUDET-UHFFFAOYSA-N 1 2 351.450 2.980 20 30 FFEDLO COc1c(O)cccc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000272249108 511479022 /nfs/dbraw/zinc/47/90/22/511479022.db2.gz HWJYGKWRDAUDET-UHFFFAOYSA-N 1 2 351.450 2.980 20 30 FFEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cc(C#N)oc3C)CC2)c1 ZINC000280530454 511500724 /nfs/dbraw/zinc/50/07/24/511500724.db2.gz BUYPONINGLJDCU-AWEZNQCLSA-N 1 2 353.422 2.987 20 30 FFEDLO N#Cc1cc(N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)ccc1Oc1ccccc1 ZINC000348666033 511501363 /nfs/dbraw/zinc/50/13/63/511501363.db2.gz PKSUMHOUYOUCQN-KRWDZBQOSA-N 1 2 373.372 2.741 20 30 FFEDLO C=CCS(=O)(=O)CC[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000272839977 511509424 /nfs/dbraw/zinc/50/94/24/511509424.db2.gz MPIPQDXOTNHMLS-UHFFFAOYSA-N 1 2 366.508 2.721 20 30 FFEDLO CC(C)n1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000280579055 511519840 /nfs/dbraw/zinc/51/98/40/511519840.db2.gz UPQFLSJDDJDXJH-UHFFFAOYSA-N 1 2 352.442 2.685 20 30 FFEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]CC(=O)N(CC)C[C@H](C)C#N)n2)cc1 ZINC000273319224 511521579 /nfs/dbraw/zinc/52/15/79/511521579.db2.gz PCCKCISNRUHXIC-HUUCEWRRSA-N 1 2 369.469 2.958 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)C(C)(C)C(N)=O)c1C#N ZINC000295830547 511528812 /nfs/dbraw/zinc/52/88/12/511528812.db2.gz YSCWMNWVTXENEO-UHFFFAOYSA-N 1 2 373.501 2.616 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)C(C)(C)C(N)=O)c1C#N ZINC000295830547 511528816 /nfs/dbraw/zinc/52/88/16/511528816.db2.gz YSCWMNWVTXENEO-UHFFFAOYSA-N 1 2 373.501 2.616 20 30 FFEDLO COc1cc(OC)c2ncc(C#N)c(SCC[NH+]3CCOCC3)c2c1 ZINC000280665474 511555846 /nfs/dbraw/zinc/55/58/46/511555846.db2.gz CAEIINQXABVORY-UHFFFAOYSA-N 1 2 359.451 2.548 20 30 FFEDLO C=CCOc1cccc(NC(=O)C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c1 ZINC000295959682 511568385 /nfs/dbraw/zinc/56/83/85/511568385.db2.gz BRJOVIAGJZKLFT-INIZCTEOSA-N 1 2 368.437 2.533 20 30 FFEDLO C=CCOc1ccc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)cc1OC ZINC000273888418 511644044 /nfs/dbraw/zinc/64/40/44/511644044.db2.gz OGJFYQVMZLIZKM-KRWDZBQOSA-N 1 2 357.410 2.846 20 30 FFEDLO C=CCOc1ccc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)cc1OC ZINC000273888418 511644048 /nfs/dbraw/zinc/64/40/48/511644048.db2.gz OGJFYQVMZLIZKM-KRWDZBQOSA-N 1 2 357.410 2.846 20 30 FFEDLO CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000303177556 511728322 /nfs/dbraw/zinc/72/83/22/511728322.db2.gz WQPLAIWXOIPGMK-JXFKEZNVSA-N 1 2 358.486 2.780 20 30 FFEDLO CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000303177556 511728332 /nfs/dbraw/zinc/72/83/32/511728332.db2.gz WQPLAIWXOIPGMK-JXFKEZNVSA-N 1 2 358.486 2.780 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)C1=O ZINC000281247595 511774030 /nfs/dbraw/zinc/77/40/30/511774030.db2.gz GNYTUNNJBPGODB-NVXWUHKLSA-N 1 2 369.465 2.671 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)C1=O ZINC000281247595 511774036 /nfs/dbraw/zinc/77/40/36/511774036.db2.gz GNYTUNNJBPGODB-NVXWUHKLSA-N 1 2 369.465 2.671 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(Br)c(OC)s2)C1=O ZINC000281353972 511815272 /nfs/dbraw/zinc/81/52/72/511815272.db2.gz UKFWGIBFXFINQF-GFCCVEGCSA-N 1 2 359.289 2.738 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(Br)c(OC)s2)C1=O ZINC000281353972 511815275 /nfs/dbraw/zinc/81/52/75/511815275.db2.gz UKFWGIBFXFINQF-GFCCVEGCSA-N 1 2 359.289 2.738 20 30 FFEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000293123274 511848928 /nfs/dbraw/zinc/84/89/28/511848928.db2.gz PKGCMROVOGBLPK-CHWSQXEVSA-N 1 2 373.931 2.790 20 30 FFEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000293123274 511848932 /nfs/dbraw/zinc/84/89/32/511848932.db2.gz PKGCMROVOGBLPK-CHWSQXEVSA-N 1 2 373.931 2.790 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(Cl)c2Cl)C1=O ZINC000281486593 511865202 /nfs/dbraw/zinc/86/52/02/511865202.db2.gz WYIWRQPDXFMPOJ-CYBMUJFWSA-N 1 2 356.253 2.651 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(Cl)c2Cl)C1=O ZINC000281486593 511865208 /nfs/dbraw/zinc/86/52/08/511865208.db2.gz WYIWRQPDXFMPOJ-CYBMUJFWSA-N 1 2 356.253 2.651 20 30 FFEDLO C=CCC(F)(F)C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000293167899 511866848 /nfs/dbraw/zinc/86/68/48/511866848.db2.gz UZOCYOACLXUOEV-HNNXBMFYSA-N 1 2 365.380 2.854 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c(Br)c1 ZINC000284833845 511891434 /nfs/dbraw/zinc/89/14/34/511891434.db2.gz PETWFFSIOGUROC-DJIMGWMZSA-N 1 2 365.271 2.683 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c(Br)c1 ZINC000284833845 511891441 /nfs/dbraw/zinc/89/14/41/511891441.db2.gz PETWFFSIOGUROC-DJIMGWMZSA-N 1 2 365.271 2.683 20 30 FFEDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC(c2nccs2)CC1 ZINC000328741942 511924724 /nfs/dbraw/zinc/92/47/24/511924724.db2.gz NQGKGKYOJQNEHB-HNNXBMFYSA-N 1 2 357.483 2.910 20 30 FFEDLO Cc1cn2cc(NC(=O)C3CC[NH+](Cc4nccn4C)CC3)ccc2n1 ZINC000328799230 511932644 /nfs/dbraw/zinc/93/26/44/511932644.db2.gz XLJJIMHWIDBKGZ-UHFFFAOYSA-N 1 2 352.442 2.876 20 30 FFEDLO Cc1cn2cc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2[nH+]1 ZINC000328819446 511936632 /nfs/dbraw/zinc/93/66/32/511936632.db2.gz HIECBABPCONZBM-GASCZTMLSA-N 1 2 354.410 2.796 20 30 FFEDLO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)c1nc(C(C)(C)C)cs1 ZINC000328869261 511941812 /nfs/dbraw/zinc/94/18/12/511941812.db2.gz HNXXTYVWQCVGAK-MJBXVCDLSA-N 1 2 366.531 2.821 20 30 FFEDLO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)c1nc(C(C)(C)C)cs1 ZINC000328869261 511941816 /nfs/dbraw/zinc/94/18/16/511941816.db2.gz HNXXTYVWQCVGAK-MJBXVCDLSA-N 1 2 366.531 2.821 20 30 FFEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCCC12CCCCC2 ZINC000328877409 511943404 /nfs/dbraw/zinc/94/34/04/511943404.db2.gz IOQLRUKYOQTXLT-UHFFFAOYSA-N 1 2 361.490 2.560 20 30 FFEDLO COc1cc(CNc2ccc(N3CCC(CO)CC3)c[nH+]2)ccc1C#N ZINC000281759065 511957169 /nfs/dbraw/zinc/95/71/69/511957169.db2.gz RMPOPZVDZUXORB-UHFFFAOYSA-N 1 2 352.438 2.783 20 30 FFEDLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)N[C@@H]1CCCc2ccccc21 ZINC000328963973 511958145 /nfs/dbraw/zinc/95/81/45/511958145.db2.gz LQMRTUPJTDPJOR-NMLBUPMWSA-N 1 2 358.482 2.882 20 30 FFEDLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)N[C@@H]1CCCc2ccccc21 ZINC000328963973 511958152 /nfs/dbraw/zinc/95/81/52/511958152.db2.gz LQMRTUPJTDPJOR-NMLBUPMWSA-N 1 2 358.482 2.882 20 30 FFEDLO O=C(NCCOc1cncc(Cl)c1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329071415 511978365 /nfs/dbraw/zinc/97/83/65/511978365.db2.gz NULQCEQNSXZHPH-MRXNPFEDSA-N 1 2 353.850 2.714 20 30 FFEDLO O=C(NCCOc1cncc(Cl)c1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329071415 511978370 /nfs/dbraw/zinc/97/83/70/511978370.db2.gz NULQCEQNSXZHPH-MRXNPFEDSA-N 1 2 353.850 2.714 20 30 FFEDLO O=C(C[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1)NC1CCCCCC1 ZINC000329090140 511979896 /nfs/dbraw/zinc/97/98/96/511979896.db2.gz IWULUHGPHNJHSR-MRXNPFEDSA-N 1 2 353.532 2.706 20 30 FFEDLO O=C(C[N@H+]1CCC[C@@H]1C(=O)N1CCSCC1)NC1CCCCCC1 ZINC000329090140 511979906 /nfs/dbraw/zinc/97/99/06/511979906.db2.gz IWULUHGPHNJHSR-MRXNPFEDSA-N 1 2 353.532 2.706 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@]2(C)CCCOC2)[C@H]1c1ccc(F)c(F)c1 ZINC000329135729 511991310 /nfs/dbraw/zinc/99/13/10/511991310.db2.gz CIWOKXASMPGYLQ-LZLYRXPVSA-N 1 2 353.413 2.783 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)N[C@]2(C)CCCOC2)[C@H]1c1ccc(F)c(F)c1 ZINC000329135729 511991314 /nfs/dbraw/zinc/99/13/14/511991314.db2.gz CIWOKXASMPGYLQ-LZLYRXPVSA-N 1 2 353.413 2.783 20 30 FFEDLO Cc1cn2cc(NC(=O)N[C@H]3CC(=O)N(C4CCCCC4)C3)ccc2[nH+]1 ZINC000329159829 511995725 /nfs/dbraw/zinc/99/57/25/511995725.db2.gz XSYZAGGJRCKCRM-HNNXBMFYSA-N 1 2 355.442 2.711 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000281877930 511997805 /nfs/dbraw/zinc/99/78/05/511997805.db2.gz ZSCLTPWRCQYLSN-KRWDZBQOSA-N 1 2 358.467 2.999 20 30 FFEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4nc(C(F)F)sc4c3)C[C@H]21 ZINC000329236549 512009791 /nfs/dbraw/zinc/00/97/91/512009791.db2.gz JOTZLZLIEBPREP-VXGBXAGGSA-N 1 2 368.409 2.794 20 30 FFEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4nc(C(F)F)sc4c3)C[C@H]21 ZINC000329236549 512009797 /nfs/dbraw/zinc/00/97/97/512009797.db2.gz JOTZLZLIEBPREP-VXGBXAGGSA-N 1 2 368.409 2.794 20 30 FFEDLO CCC1CCN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)CC1 ZINC000329243086 512012988 /nfs/dbraw/zinc/01/29/88/512012988.db2.gz SRQUXVRWUKSWMT-VQIMIIECSA-N 1 2 373.501 2.651 20 30 FFEDLO O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329266154 512016572 /nfs/dbraw/zinc/01/65/72/512016572.db2.gz HIPMASBTRYQUAN-YUELXQCFSA-N 1 2 357.414 2.583 20 30 FFEDLO Cc1csc([C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)C2CC2)n1 ZINC000329304256 512024148 /nfs/dbraw/zinc/02/41/48/512024148.db2.gz XUURBJJQAVHSAV-NUEKZKHPSA-N 1 2 364.515 2.612 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)N1CCOC[C@@H]1CC(F)F)C2 ZINC000329313718 512024908 /nfs/dbraw/zinc/02/49/08/512024908.db2.gz ATQILXGUEKFUCD-STQMWFEESA-N 1 2 370.444 2.765 20 30 FFEDLO CS(=O)(=O)C1(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCCC1 ZINC000329403406 512040964 /nfs/dbraw/zinc/04/09/64/512040964.db2.gz YTTDVNZZMOLFDR-UHFFFAOYSA-N 1 2 374.572 2.662 20 30 FFEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CN3CCC(=O)NC3=O)n2)C1 ZINC000329422331 512043622 /nfs/dbraw/zinc/04/36/22/512043622.db2.gz FMGFDOUVERUARF-NSHDSACASA-N 1 2 365.459 2.745 20 30 FFEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CN3CCC(=O)NC3=O)n2)C1 ZINC000329422331 512043627 /nfs/dbraw/zinc/04/36/27/512043627.db2.gz FMGFDOUVERUARF-NSHDSACASA-N 1 2 365.459 2.745 20 30 FFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000329431363 512046142 /nfs/dbraw/zinc/04/61/42/512046142.db2.gz ILPFMNAFLREAAH-IRXDYDNUSA-N 1 2 356.426 2.512 20 30 FFEDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC[C@H]1C1CCOCC1 ZINC000329484467 512055996 /nfs/dbraw/zinc/05/59/96/512055996.db2.gz QLHXWOJXSLDBPE-SFHVURJKSA-N 1 2 358.486 2.987 20 30 FFEDLO COc1c(Cl)cc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1Cl ZINC000329508412 512060470 /nfs/dbraw/zinc/06/04/70/512060470.db2.gz JIXYFRHPAZZQQX-QWHCGFSZSA-N 1 2 360.241 2.562 20 30 FFEDLO COc1c(Cl)cc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1Cl ZINC000329508412 512060475 /nfs/dbraw/zinc/06/04/75/512060475.db2.gz JIXYFRHPAZZQQX-QWHCGFSZSA-N 1 2 360.241 2.562 20 30 FFEDLO N#Cc1cc(Br)ccc1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000366509611 512060607 /nfs/dbraw/zinc/06/06/07/512060607.db2.gz ZTQIPUKVIJIVOW-HNNXBMFYSA-N 1 2 361.243 2.994 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Cn2ccc(C(F)(F)F)n2)CCO1 ZINC000329508287 512060642 /nfs/dbraw/zinc/06/06/42/512060642.db2.gz LZUTWDHGCWOYCS-JQWIXIFHSA-N 1 2 357.336 2.512 20 30 FFEDLO O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329529206 512065204 /nfs/dbraw/zinc/06/52/04/512065204.db2.gz IJVDMGJJHMVCMF-MAUKXSAKSA-N 1 2 363.502 2.520 20 30 FFEDLO O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329529206 512065208 /nfs/dbraw/zinc/06/52/08/512065208.db2.gz IJVDMGJJHMVCMF-MAUKXSAKSA-N 1 2 363.502 2.520 20 30 FFEDLO COC(=O)[C@@H](c1cccc(Br)c1)[N@H+](C)CCOCCC#N ZINC000293732399 512065912 /nfs/dbraw/zinc/06/59/12/512065912.db2.gz GUUJFQRUDSUTJV-CQSZACIVSA-N 1 2 355.232 2.525 20 30 FFEDLO COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](C)CCOCCC#N ZINC000293732399 512065916 /nfs/dbraw/zinc/06/59/16/512065916.db2.gz GUUJFQRUDSUTJV-CQSZACIVSA-N 1 2 355.232 2.525 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)NC[C@H]3CCCCS3)c[nH+]2)CCO1 ZINC000329644023 512081338 /nfs/dbraw/zinc/08/13/38/512081338.db2.gz IZOUMNNPANMIAU-GDBMZVCRSA-N 1 2 364.515 2.596 20 30 FFEDLO Cc1ccn(C)c(=O)c1NC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329873240 512104987 /nfs/dbraw/zinc/10/49/87/512104987.db2.gz DRPYFUJENCZRMJ-ZDUSSCGKSA-N 1 2 357.458 2.529 20 30 FFEDLO C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1nc(C(C)(C)C)no1 ZINC000411528534 512676167 /nfs/dbraw/zinc/67/61/67/512676167.db2.gz FVPSRZJQSQZUNY-WFASDCNBSA-N 1 2 353.426 2.695 20 30 FFEDLO N#Cc1ccc(OCCC[N@H+]2CCc3c(sc4ncnc(N)c34)C2)cc1 ZINC000378289104 512678490 /nfs/dbraw/zinc/67/84/90/512678490.db2.gz DUFHIGHBANIXAO-UHFFFAOYSA-N 1 2 365.462 2.972 20 30 FFEDLO N#Cc1ccc(OCCC[N@@H+]2CCc3c(sc4ncnc(N)c34)C2)cc1 ZINC000378289104 512678494 /nfs/dbraw/zinc/67/84/94/512678494.db2.gz DUFHIGHBANIXAO-UHFFFAOYSA-N 1 2 365.462 2.972 20 30 FFEDLO COc1ccccc1[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000368006615 512759597 /nfs/dbraw/zinc/75/95/97/512759597.db2.gz NWTDAAHEBVDBSP-KRWDZBQOSA-N 1 2 371.462 2.573 20 30 FFEDLO COc1ccccc1[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000368006615 512759601 /nfs/dbraw/zinc/75/96/01/512759601.db2.gz NWTDAAHEBVDBSP-KRWDZBQOSA-N 1 2 371.462 2.573 20 30 FFEDLO Cc1noc(C2(C)CC[NH+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CC2)n1 ZINC000378568663 512827432 /nfs/dbraw/zinc/82/74/32/512827432.db2.gz OOMPUUVEBSXDBF-GFCCVEGCSA-N 1 2 371.441 2.840 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000372472824 512892335 /nfs/dbraw/zinc/89/23/35/512892335.db2.gz LMNUEVJORYEHFS-CABCVRRESA-N 1 2 370.482 2.558 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000372472824 512892339 /nfs/dbraw/zinc/89/23/39/512892339.db2.gz LMNUEVJORYEHFS-CABCVRRESA-N 1 2 370.482 2.558 20 30 FFEDLO CC(C)c1ccccc1NC(=O)C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000374636230 512930190 /nfs/dbraw/zinc/93/01/90/512930190.db2.gz IXLRQFRXCRRKDW-UHFFFAOYSA-N 1 2 363.465 2.837 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3ccncn3)C2)c(C#N)c1C ZINC000372580571 512953258 /nfs/dbraw/zinc/95/32/58/512953258.db2.gz BWMGGXHUAQBVEY-ZFWWWQNUSA-N 1 2 353.426 2.765 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3ccncn3)C2)c(C#N)c1C ZINC000372580571 512953263 /nfs/dbraw/zinc/95/32/63/512953263.db2.gz BWMGGXHUAQBVEY-ZFWWWQNUSA-N 1 2 353.426 2.765 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000376720904 512957633 /nfs/dbraw/zinc/95/76/33/512957633.db2.gz HIGAVMLCLRYZBM-LJQANCHMSA-N 1 2 359.433 2.701 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)c(OC)c1 ZINC000374882805 513053984 /nfs/dbraw/zinc/05/39/84/513053984.db2.gz XNGGVBYOWIQBDN-IAGOWNOFSA-N 1 2 357.454 2.724 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2ncc[nH]2)c(OC)c1 ZINC000374882805 513053986 /nfs/dbraw/zinc/05/39/86/513053986.db2.gz XNGGVBYOWIQBDN-IAGOWNOFSA-N 1 2 357.454 2.724 20 30 FFEDLO CC1CCC([NH+]2CCN(S(=O)(=O)c3ccc(C#N)s3)CC2)CC1 ZINC000408401810 513059363 /nfs/dbraw/zinc/05/93/63/513059363.db2.gz FGSTXBPQXXIUPT-UHFFFAOYSA-N 1 2 353.513 2.505 20 30 FFEDLO C=C(C)COc1cc(C[N@H+]2CC[C@@H](OC)C[C@H]2C(=O)OC)ccc1OC ZINC000374893307 513059348 /nfs/dbraw/zinc/05/93/48/513059348.db2.gz GQRIBEJQFMWQJC-SJORKVTESA-N 1 2 363.454 2.803 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C(=O)OC)ccc1OC ZINC000374893307 513059351 /nfs/dbraw/zinc/05/93/51/513059351.db2.gz GQRIBEJQFMWQJC-SJORKVTESA-N 1 2 363.454 2.803 20 30 FFEDLO CCOC(=O)c1c(NC(=O)N[C@H](C)c2[nH+]ccn2CC)c(C#N)cn1CC ZINC000421188181 513144317 /nfs/dbraw/zinc/14/43/17/513144317.db2.gz XCSRCRNUFKNTLK-GFCCVEGCSA-N 1 2 372.429 2.655 20 30 FFEDLO Cc1cc[nH+]cc1N1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000450495479 513221048 /nfs/dbraw/zinc/22/10/48/513221048.db2.gz AFPABLLSYVCBQD-UHFFFAOYSA-N 1 2 358.243 2.746 20 30 FFEDLO N#Cc1c(F)cccc1CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000428959823 513233326 /nfs/dbraw/zinc/23/33/26/513233326.db2.gz HHSDKIMHONDMOI-RTWAWAEBSA-N 1 2 351.425 2.783 20 30 FFEDLO N#Cc1c(F)cccc1CN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000428959823 513233332 /nfs/dbraw/zinc/23/33/32/513233332.db2.gz HHSDKIMHONDMOI-RTWAWAEBSA-N 1 2 351.425 2.783 20 30 FFEDLO CC(C)C[N@H+](Cc1nnnn1CC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000429052497 513269688 /nfs/dbraw/zinc/26/96/88/513269688.db2.gz ASKNJLQPZMEHNW-UHFFFAOYSA-N 1 2 352.364 2.765 20 30 FFEDLO CC(C)C[N@@H+](Cc1nnnn1CC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000429052497 513269692 /nfs/dbraw/zinc/26/96/92/513269692.db2.gz ASKNJLQPZMEHNW-UHFFFAOYSA-N 1 2 352.364 2.765 20 30 FFEDLO Cc1cc(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc(C)[nH+]1 ZINC000421573632 513314453 /nfs/dbraw/zinc/31/44/53/513314453.db2.gz BTFZGQIJCVSUCJ-QGZVFWFLSA-N 1 2 352.413 2.852 20 30 FFEDLO C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000440624938 513365937 /nfs/dbraw/zinc/36/59/37/513365937.db2.gz JTCGZPOQMLRTQH-GCJKJVERSA-N 1 2 374.488 2.847 20 30 FFEDLO N#CC1CCC(CNC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000441003598 513457553 /nfs/dbraw/zinc/45/75/53/513457553.db2.gz OCPCNORNSYOFIE-QLOJAFMTSA-N 1 2 370.497 2.689 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)s1 ZINC000435433952 513587101 /nfs/dbraw/zinc/58/71/01/513587101.db2.gz VLGBNXTXCATPBL-AWEZNQCLSA-N 1 2 365.480 2.718 20 30 FFEDLO C=C(C)CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000435444928 513593040 /nfs/dbraw/zinc/59/30/40/513593040.db2.gz BMIWRWLVIIHNMU-OAHLLOKOSA-N 1 2 360.882 2.939 20 30 FFEDLO C=C(C)CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000435444928 513593047 /nfs/dbraw/zinc/59/30/47/513593047.db2.gz BMIWRWLVIIHNMU-OAHLLOKOSA-N 1 2 360.882 2.939 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000425539663 513627513 /nfs/dbraw/zinc/62/75/13/513627513.db2.gz UEXSVDGHOFFHFM-AWEZNQCLSA-N 1 2 373.434 2.933 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000425539663 513627517 /nfs/dbraw/zinc/62/75/17/513627517.db2.gz UEXSVDGHOFFHFM-AWEZNQCLSA-N 1 2 373.434 2.933 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451272997 513644786 /nfs/dbraw/zinc/64/47/86/513644786.db2.gz WHHQIUIGIQCAFA-FPDPHYFHSA-N 1 2 367.424 2.685 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451272997 513644793 /nfs/dbraw/zinc/64/47/93/513644793.db2.gz WHHQIUIGIQCAFA-FPDPHYFHSA-N 1 2 367.424 2.685 20 30 FFEDLO C[C@@H](C#N)CN(C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)C1CC1 ZINC000441958001 513651695 /nfs/dbraw/zinc/65/16/95/513651695.db2.gz VKIRUBKNXNADRH-AWEZNQCLSA-N 1 2 364.405 2.963 20 30 FFEDLO Cc1cccc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1C#N ZINC000441967855 513654113 /nfs/dbraw/zinc/65/41/13/513654113.db2.gz IMJYGTVMJSBANN-QGZVFWFLSA-N 1 2 369.490 2.762 20 30 FFEDLO Cc1cccc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1C#N ZINC000441967855 513654118 /nfs/dbraw/zinc/65/41/18/513654118.db2.gz IMJYGTVMJSBANN-QGZVFWFLSA-N 1 2 369.490 2.762 20 30 FFEDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451310391 513668579 /nfs/dbraw/zinc/66/85/79/513668579.db2.gz HBQKTWGAESUOGL-UHFFFAOYSA-N 1 2 365.842 2.643 20 30 FFEDLO COc1ccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000435827974 513692982 /nfs/dbraw/zinc/69/29/82/513692982.db2.gz QWLHZBKFQMSYGF-UHFFFAOYSA-N 1 2 367.424 2.593 20 30 FFEDLO N#CC1(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CCC1 ZINC000419459774 513814191 /nfs/dbraw/zinc/81/41/91/513814191.db2.gz GWXQQFCYLCFCSN-CQSZACIVSA-N 1 2 362.424 2.922 20 30 FFEDLO N#CC1(CNC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CCC1 ZINC000419459774 513814198 /nfs/dbraw/zinc/81/41/98/513814198.db2.gz GWXQQFCYLCFCSN-CQSZACIVSA-N 1 2 362.424 2.922 20 30 FFEDLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000426184380 513866156 /nfs/dbraw/zinc/86/61/56/513866156.db2.gz SZEYWMHRHURBSB-ZDUSSCGKSA-N 1 2 363.845 2.814 20 30 FFEDLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000426184380 513866159 /nfs/dbraw/zinc/86/61/59/513866159.db2.gz SZEYWMHRHURBSB-ZDUSSCGKSA-N 1 2 363.845 2.814 20 30 FFEDLO Cc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c(Cl)c1Cl ZINC000448835264 513921713 /nfs/dbraw/zinc/92/17/13/513921713.db2.gz KGAFSMPYHOZKNQ-UHFFFAOYSA-N 1 2 370.280 2.990 20 30 FFEDLO COc1ccc(Br)cc1SC[C@@H](O)C[N@H+](C)CCC#N ZINC000414122803 513981721 /nfs/dbraw/zinc/98/17/21/513981721.db2.gz AZRFZBXLZCFSRZ-LBPRGKRZSA-N 1 2 359.289 2.756 20 30 FFEDLO COc1ccc(Br)cc1SC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414122803 513981729 /nfs/dbraw/zinc/98/17/29/513981729.db2.gz AZRFZBXLZCFSRZ-LBPRGKRZSA-N 1 2 359.289 2.756 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(NC(=O)c2cccs2)c1 ZINC000414137972 513986511 /nfs/dbraw/zinc/98/65/11/513986511.db2.gz FDOSXKJERUSLBL-OAHLLOKOSA-N 1 2 359.451 2.586 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(NC(=O)c2cccs2)c1 ZINC000414137972 513986517 /nfs/dbraw/zinc/98/65/17/513986517.db2.gz FDOSXKJERUSLBL-OAHLLOKOSA-N 1 2 359.451 2.586 20 30 FFEDLO Cc1nc(C[NH+]2CCN(c3ccc(C(F)(F)F)c(C#N)n3)CC2)oc1C ZINC000443514727 513986616 /nfs/dbraw/zinc/98/66/16/513986616.db2.gz IDUUHSDNEDDJHP-UHFFFAOYSA-N 1 2 365.359 2.899 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)OC1(CCCCC1)CC2=O ZINC000414152196 513991593 /nfs/dbraw/zinc/99/15/93/513991593.db2.gz WZZDKKBOEHLRHP-MRXNPFEDSA-N 1 2 372.465 2.940 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)OC1(CCCCC1)CC2=O ZINC000414152196 513991601 /nfs/dbraw/zinc/99/16/01/513991601.db2.gz WZZDKKBOEHLRHP-MRXNPFEDSA-N 1 2 372.465 2.940 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)NC(C)(C)C[NH+]2CCOCC2)cc1C#N ZINC000416929720 514050984 /nfs/dbraw/zinc/05/09/84/514050984.db2.gz HZQXHERCERSRKZ-UHFFFAOYSA-N 1 2 360.458 2.578 20 30 FFEDLO CC(C)(CNC(=O)c1cn(CCCC#N)c2ccccc12)[NH+]1CCOCC1 ZINC000443914229 514069450 /nfs/dbraw/zinc/06/94/50/514069450.db2.gz FUCGGFOBJDYGSG-UHFFFAOYSA-N 1 2 368.481 2.786 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000451924126 514074236 /nfs/dbraw/zinc/07/42/36/514074236.db2.gz BWIUPTBMIMJSBW-SNVBAGLBSA-N 1 2 372.372 2.833 20 30 FFEDLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1ccccc1C#N ZINC000432303718 514154072 /nfs/dbraw/zinc/15/40/72/514154072.db2.gz XYGHNCHRLUVFHB-QGZVFWFLSA-N 1 2 352.419 2.691 20 30 FFEDLO C[C@H](O)[C@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000414563482 514181468 /nfs/dbraw/zinc/18/14/68/514181468.db2.gz BVYZBQGTJQFDJN-HRAATJIYSA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@H](O)[C@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000414563482 514181472 /nfs/dbraw/zinc/18/14/72/514181472.db2.gz BVYZBQGTJQFDJN-HRAATJIYSA-N 1 2 352.434 2.719 20 30 FFEDLO C[N@H+](CC(=O)NCc1ccccc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437903200 514263915 /nfs/dbraw/zinc/26/39/15/514263915.db2.gz RUNDFWNIWCFYDP-UHFFFAOYSA-N 1 2 359.376 2.908 20 30 FFEDLO C[N@@H+](CC(=O)NCc1ccccc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437903200 514263925 /nfs/dbraw/zinc/26/39/25/514263925.db2.gz RUNDFWNIWCFYDP-UHFFFAOYSA-N 1 2 359.376 2.908 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CCCC1(C)C ZINC000444638945 514281686 /nfs/dbraw/zinc/28/16/86/514281686.db2.gz XPWQDTVLDFOECL-SFHVURJKSA-N 1 2 356.514 2.797 20 30 FFEDLO C=CCC[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C(=O)OCC ZINC000449656894 514285074 /nfs/dbraw/zinc/28/50/74/514285074.db2.gz MUWJCSLSOJEHOH-SFHVURJKSA-N 1 2 352.438 2.946 20 30 FFEDLO N#Cc1ccccc1NC(=O)CCCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452334228 514289499 /nfs/dbraw/zinc/28/94/99/514289499.db2.gz MBEMDYJTZIYZBU-UHFFFAOYSA-N 1 2 351.410 2.839 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]([C@H](O)C(F)(F)F)C3)o2)c1 ZINC000444718669 514302881 /nfs/dbraw/zinc/30/28/81/514302881.db2.gz OYWQHCCMYDFZIA-ZFWWWQNUSA-N 1 2 366.343 2.743 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]([C@H](O)C(F)(F)F)C3)o2)c1 ZINC000444718669 514302885 /nfs/dbraw/zinc/30/28/85/514302885.db2.gz OYWQHCCMYDFZIA-ZFWWWQNUSA-N 1 2 366.343 2.743 20 30 FFEDLO C=CCNc1ncc(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)s1 ZINC000432931614 514326844 /nfs/dbraw/zinc/32/68/44/514326844.db2.gz LZWWMDDOJPNXAN-UHFFFAOYSA-N 1 2 370.522 2.900 20 30 FFEDLO C=CCNc1ncc(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)s1 ZINC000432931614 514326849 /nfs/dbraw/zinc/32/68/49/514326849.db2.gz LZWWMDDOJPNXAN-UHFFFAOYSA-N 1 2 370.522 2.900 20 30 FFEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccccc2I)nn1 ZINC000424299681 514449716 /nfs/dbraw/zinc/44/97/16/514449716.db2.gz VYOAHCLVHBEGPU-NSHDSACASA-N 1 2 368.222 2.920 20 30 FFEDLO COc1ccc2c(c1)OC(C)(C)C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000421042039 514454700 /nfs/dbraw/zinc/45/47/00/514454700.db2.gz PEAMFVVRZSQJRZ-FQEVSTJZSA-N 1 2 359.470 2.723 20 30 FFEDLO COc1ccc2c(c1)OC(C)(C)C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000421042039 514454707 /nfs/dbraw/zinc/45/47/07/514454707.db2.gz PEAMFVVRZSQJRZ-FQEVSTJZSA-N 1 2 359.470 2.723 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000470846928 514638772 /nfs/dbraw/zinc/63/87/72/514638772.db2.gz BEOZWBUXEDICQY-HXUWFJFHSA-N 1 2 374.444 2.711 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000502427803 514648485 /nfs/dbraw/zinc/64/84/85/514648485.db2.gz WUBCDFWUEMOZJN-UHFFFAOYSA-N 1 2 355.442 2.714 20 30 FFEDLO N#Cc1csc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000475432417 514658888 /nfs/dbraw/zinc/65/88/88/514658888.db2.gz ZKYYKMQDJMPZIZ-CYBMUJFWSA-N 1 2 350.241 2.698 20 30 FFEDLO Cc1[nH+]c2ccc(C(=O)N3CCN(c4ccccc4C#N)CC3)cc2n1C ZINC000475462053 514673873 /nfs/dbraw/zinc/67/38/73/514673873.db2.gz ZBMMMJAUHVTTQA-UHFFFAOYSA-N 1 2 359.433 2.716 20 30 FFEDLO CC(C)[C@@H](C)NC(=O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471002731 514711557 /nfs/dbraw/zinc/71/15/57/514711557.db2.gz AYSVZCRAUXDGDD-QAPCUYQASA-N 1 2 362.905 2.683 20 30 FFEDLO CSc1ccccc1C[N@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000471010326 514717459 /nfs/dbraw/zinc/71/74/59/514717459.db2.gz VIDFFFYBVYBXGL-GOSISDBHSA-N 1 2 374.554 2.533 20 30 FFEDLO CSc1ccccc1C[N@@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000471010326 514717464 /nfs/dbraw/zinc/71/74/64/514717464.db2.gz VIDFFFYBVYBXGL-GOSISDBHSA-N 1 2 374.554 2.533 20 30 FFEDLO CC(C)(C)Oc1ccc(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1C#N ZINC000455767466 514728972 /nfs/dbraw/zinc/72/89/72/514728972.db2.gz JOTJCNPRPRHUMB-KRWDZBQOSA-N 1 2 372.469 2.720 20 30 FFEDLO CC(C)(C)Oc1ccc(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1C#N ZINC000455767466 514728980 /nfs/dbraw/zinc/72/89/80/514728980.db2.gz JOTJCNPRPRHUMB-KRWDZBQOSA-N 1 2 372.469 2.720 20 30 FFEDLO C[C@H](NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000455787699 514739670 /nfs/dbraw/zinc/73/96/70/514739670.db2.gz FTTXFDWGGDKDEJ-GJZGRUSLSA-N 1 2 374.485 2.966 20 30 FFEDLO C=CC[C@@H](C)NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000455958424 514865752 /nfs/dbraw/zinc/86/57/52/514865752.db2.gz RRGNBLIGGSQPDR-LLVKDONJSA-N 1 2 369.263 2.767 20 30 FFEDLO Cc1cc(C#N)cc(NC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1 ZINC000455961910 514869426 /nfs/dbraw/zinc/86/94/26/514869426.db2.gz AEXRWMLJBVGQOX-UHFFFAOYSA-N 1 2 374.448 2.864 20 30 FFEDLO Cc1onc(CC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c1C#N ZINC000498533173 514951158 /nfs/dbraw/zinc/95/11/58/514951158.db2.gz WLWPDBBCYCZDRJ-LLVKDONJSA-N 1 2 359.455 2.724 20 30 FFEDLO Cc1onc(CC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c1C#N ZINC000498533173 514951165 /nfs/dbraw/zinc/95/11/65/514951165.db2.gz WLWPDBBCYCZDRJ-LLVKDONJSA-N 1 2 359.455 2.724 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503223688 514967365 /nfs/dbraw/zinc/96/73/65/514967365.db2.gz ZFENEKZOHQKJBX-ZWKOTPCHSA-N 1 2 357.498 2.727 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503223688 514967375 /nfs/dbraw/zinc/96/73/75/514967375.db2.gz ZFENEKZOHQKJBX-ZWKOTPCHSA-N 1 2 357.498 2.727 20 30 FFEDLO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)CC1 ZINC000503268011 514986215 /nfs/dbraw/zinc/98/62/15/514986215.db2.gz VRCGBMANTBOIDR-HNNXBMFYSA-N 1 2 367.453 2.656 20 30 FFEDLO C[C@@H](c1ccsc1)[NH+]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000462461072 515063658 /nfs/dbraw/zinc/06/36/58/515063658.db2.gz AORQZAWKHXJCQE-KBXCAEBGSA-N 1 2 354.479 2.525 20 30 FFEDLO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)c2[nH+]ccn21 ZINC000453987793 515100202 /nfs/dbraw/zinc/10/02/02/515100202.db2.gz XZRHPWOEQUABNQ-MFKMUULPSA-N 1 2 371.466 2.874 20 30 FFEDLO N#Cc1cccc(NCC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000509983016 515391304 /nfs/dbraw/zinc/39/13/04/515391304.db2.gz ANUVROHQNCQYRN-UHFFFAOYSA-N 1 2 368.868 2.968 20 30 FFEDLO Cc1onc(CC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1C#N ZINC000499744564 515435979 /nfs/dbraw/zinc/43/59/79/515435979.db2.gz VBEVUECWXNYTEX-KBPBESRZSA-N 1 2 368.437 2.645 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459327778 515471703 /nfs/dbraw/zinc/47/17/03/515471703.db2.gz PMPPSHPEJBICIS-GOEBONIOSA-N 1 2 358.442 2.983 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459327778 515471712 /nfs/dbraw/zinc/47/17/12/515471712.db2.gz PMPPSHPEJBICIS-GOEBONIOSA-N 1 2 358.442 2.983 20 30 FFEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000468780945 515516063 /nfs/dbraw/zinc/51/60/63/515516063.db2.gz BOFLWGRGCZPSMK-UHFFFAOYSA-N 1 2 368.481 2.786 20 30 FFEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000468780945 515516072 /nfs/dbraw/zinc/51/60/72/515516072.db2.gz BOFLWGRGCZPSMK-UHFFFAOYSA-N 1 2 368.481 2.786 20 30 FFEDLO C[C@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)C(=O)NC1(C#N)CCCCC1 ZINC000499937349 515523533 /nfs/dbraw/zinc/52/35/33/515523533.db2.gz GELYGPKTLXRINL-WFASDCNBSA-N 1 2 367.852 2.833 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC3(CC2)OCCc2ccsc23)cc1 ZINC000492698538 515555461 /nfs/dbraw/zinc/55/54/61/515555461.db2.gz DCLFJZAVJWVVGV-KRWDZBQOSA-N 1 2 367.474 2.710 20 30 FFEDLO CC[C@@H](C)n1ncc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000478281018 515765233 /nfs/dbraw/zinc/76/52/33/515765233.db2.gz NXCSCDPBOASQIT-MRXNPFEDSA-N 1 2 365.481 2.992 20 30 FFEDLO CCOC(=O)c1coc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000474106208 515885995 /nfs/dbraw/zinc/88/59/95/515885995.db2.gz TYXZTKVOYNMDLL-LJQANCHMSA-N 1 2 353.422 2.839 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000494781569 515962073 /nfs/dbraw/zinc/96/20/73/515962073.db2.gz HWPDAXKMGYTELB-NWDGAFQWSA-N 1 2 372.498 2.695 20 30 FFEDLO COc1ccc(OC)c(C[NH+]2CCN(c3ccc(C#N)c(C)n3)CC2)c1 ZINC000487907330 516029222 /nfs/dbraw/zinc/02/92/22/516029222.db2.gz DMJPNGIKVZQUGL-UHFFFAOYSA-N 1 2 352.438 2.601 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)ncc1C#N ZINC000457694839 516073996 /nfs/dbraw/zinc/07/39/96/516073996.db2.gz RYRXJEJCXHQPNT-WMZOPIPTSA-N 1 2 356.376 2.715 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)ncc1C#N ZINC000457694839 516074007 /nfs/dbraw/zinc/07/40/07/516074007.db2.gz RYRXJEJCXHQPNT-WMZOPIPTSA-N 1 2 356.376 2.715 20 30 FFEDLO C[C@@H]1C[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C)S1=O ZINC000483445490 516092630 /nfs/dbraw/zinc/09/26/30/516092630.db2.gz WZFNPCFYQCOEMW-HZPDHXFCSA-N 1 2 356.495 2.805 20 30 FFEDLO O=C(NCC#Cc1cccc(F)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000512190168 516189923 /nfs/dbraw/zinc/18/99/23/516189923.db2.gz ULDHYFZHCBCUIG-UHFFFAOYSA-N 1 2 357.454 2.766 20 30 FFEDLO CC(C)CC[N@H+](CCC#N)CCN(Cc1ccccc1)S(C)(=O)=O ZINC000483938239 516252649 /nfs/dbraw/zinc/25/26/49/516252649.db2.gz IAFMLGQXRFQCNR-UHFFFAOYSA-N 1 2 351.516 2.710 20 30 FFEDLO CC(C)CC[N@@H+](CCC#N)CCN(Cc1ccccc1)S(C)(=O)=O ZINC000483938239 516252656 /nfs/dbraw/zinc/25/26/56/516252656.db2.gz IAFMLGQXRFQCNR-UHFFFAOYSA-N 1 2 351.516 2.710 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)Nc1cccc(NC(C)=O)c1)Cc1ccc(CO)o1 ZINC000512408524 516267957 /nfs/dbraw/zinc/26/79/57/516267957.db2.gz IJILOIFBQBEDRT-UHFFFAOYSA-N 1 2 371.437 2.747 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)Nc1cccc(NC(C)=O)c1)Cc1ccc(CO)o1 ZINC000512408524 516267961 /nfs/dbraw/zinc/26/79/61/516267961.db2.gz IJILOIFBQBEDRT-UHFFFAOYSA-N 1 2 371.437 2.747 20 30 FFEDLO Cc1nc(C2([NH2+]CC(=O)NCc3ccc(C#N)cc3)CCCCCC2)no1 ZINC000507657481 516275518 /nfs/dbraw/zinc/27/55/18/516275518.db2.gz HGCHADVYUCXSPO-UHFFFAOYSA-N 1 2 367.453 2.705 20 30 FFEDLO C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1ccc(C#N)cc1F ZINC000512665889 516319403 /nfs/dbraw/zinc/31/94/03/516319403.db2.gz HVIQCSXJKIYALR-CYBMUJFWSA-N 1 2 361.442 2.798 20 30 FFEDLO C[C@@]1(c2ccccc2)C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528402227 516410534 /nfs/dbraw/zinc/41/05/34/516410534.db2.gz FQDVXCXRFQFCHO-QHCPKHFHSA-N 1 2 374.440 2.534 20 30 FFEDLO C[C@@]1(c2ccccc2)C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528402227 516410546 /nfs/dbraw/zinc/41/05/46/516410546.db2.gz FQDVXCXRFQFCHO-QHCPKHFHSA-N 1 2 374.440 2.534 20 30 FFEDLO COC(=O)c1ccc2c(c1)C[N@H+]([C@H](C)C(=O)NC1(C#N)CCCCC1)CC2 ZINC000540046895 516419013 /nfs/dbraw/zinc/41/90/13/516419013.db2.gz GDVXTDVLPDBLBN-OAHLLOKOSA-N 1 2 369.465 2.562 20 30 FFEDLO COC(=O)c1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)NC1(C#N)CCCCC1)CC2 ZINC000540046895 516419024 /nfs/dbraw/zinc/41/90/24/516419024.db2.gz GDVXTDVLPDBLBN-OAHLLOKOSA-N 1 2 369.465 2.562 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+]([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528416150 516420071 /nfs/dbraw/zinc/42/00/71/516420071.db2.gz GGSHKEPNPCPJME-RTWAWAEBSA-N 1 2 366.509 2.802 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000523605839 516517952 /nfs/dbraw/zinc/51/79/52/516517952.db2.gz XIAZKTWZSLAIKX-KRWDZBQOSA-N 1 2 363.889 2.802 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000523605839 516517961 /nfs/dbraw/zinc/51/79/61/516517961.db2.gz XIAZKTWZSLAIKX-KRWDZBQOSA-N 1 2 363.889 2.802 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000531650089 516576531 /nfs/dbraw/zinc/57/65/31/516576531.db2.gz LEYSBGCDNHZPPE-APWZRJJASA-N 1 2 372.488 2.856 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C/C=C\c1ccc(F)c(F)c1 ZINC000554858638 516667882 /nfs/dbraw/zinc/66/78/82/516667882.db2.gz RDOHHUOVIZHOPU-SFAKSCPVSA-N 1 2 355.392 2.850 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C/C=C\c1ccc(F)c(F)c1 ZINC000554858638 516667891 /nfs/dbraw/zinc/66/78/91/516667891.db2.gz RDOHHUOVIZHOPU-SFAKSCPVSA-N 1 2 355.392 2.850 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528761643 516676209 /nfs/dbraw/zinc/67/62/09/516676209.db2.gz JERQZIICWKRUGJ-IERDGZPVSA-N 1 2 367.497 2.733 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cc(C3CC3)nc3ccccc32)c1C#N ZINC000536300119 516713324 /nfs/dbraw/zinc/71/33/24/516713324.db2.gz ANDWGVFFAUNLLI-UHFFFAOYSA-N 1 2 374.448 2.533 20 30 FFEDLO CCOc1ccc(C[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000513789433 516751979 /nfs/dbraw/zinc/75/19/79/516751979.db2.gz IFSPIYWSDZZPSK-UHFFFAOYSA-N 1 2 358.463 2.863 20 30 FFEDLO CCOc1ccc(C[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000513789433 516751987 /nfs/dbraw/zinc/75/19/87/516751987.db2.gz IFSPIYWSDZZPSK-UHFFFAOYSA-N 1 2 358.463 2.863 20 30 FFEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)CCCCC1 ZINC000548164350 516801722 /nfs/dbraw/zinc/80/17/22/516801722.db2.gz LLFBZJMRAASFCW-OAQYLSRUSA-N 1 2 353.466 2.851 20 30 FFEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)CCCCC1 ZINC000548164350 516801730 /nfs/dbraw/zinc/80/17/30/516801730.db2.gz LLFBZJMRAASFCW-OAQYLSRUSA-N 1 2 353.466 2.851 20 30 FFEDLO N#Cc1ccc(CNC(=O)Cn2nc(C(F)(F)F)c3c[nH+]ccc32)cc1 ZINC000536684353 516891074 /nfs/dbraw/zinc/89/10/74/516891074.db2.gz VTQHRZLUYOZVNB-UHFFFAOYSA-N 1 2 359.311 2.638 20 30 FFEDLO COc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)ccc1OCC(=O)N1CCCC1 ZINC000536709898 516905061 /nfs/dbraw/zinc/90/50/61/516905061.db2.gz IVCSKAAGQKKLJQ-INIZCTEOSA-N 1 2 371.481 2.820 20 30 FFEDLO COc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)ccc1OCC(=O)N1CCCC1 ZINC000536709898 516905072 /nfs/dbraw/zinc/90/50/72/516905072.db2.gz IVCSKAAGQKKLJQ-INIZCTEOSA-N 1 2 371.481 2.820 20 30 FFEDLO C[C@](O)(C1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000514676415 516999119 /nfs/dbraw/zinc/99/91/19/516999119.db2.gz VAFKCYZYAXOCJF-HNNXBMFYSA-N 1 2 357.332 2.992 20 30 FFEDLO COCc1ccc(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1C#N ZINC000529213240 517008295 /nfs/dbraw/zinc/00/82/95/517008295.db2.gz MMUSPSAKLHVIKU-UHFFFAOYSA-N 1 2 367.331 2.785 20 30 FFEDLO CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000562361561 517053868 /nfs/dbraw/zinc/05/38/68/517053868.db2.gz KLMGCIUGWVVKAJ-INIZCTEOSA-N 1 2 363.465 2.665 20 30 FFEDLO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1nc(C2CCCCC2)no1 ZINC000541681333 517170413 /nfs/dbraw/zinc/17/04/13/517170413.db2.gz CNRPKLFXHZDJCJ-AWEZNQCLSA-N 1 2 367.453 2.956 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000532907486 517196265 /nfs/dbraw/zinc/19/62/65/517196265.db2.gz PIBYEYGBMIXODC-AWEZNQCLSA-N 1 2 372.856 2.949 20 30 FFEDLO C[C@H]1CC[N@H+](CC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 ZINC000515070101 517200409 /nfs/dbraw/zinc/20/04/09/517200409.db2.gz YKTJCQJLKUYHJT-LBPRGKRZSA-N 1 2 373.507 2.982 20 30 FFEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 ZINC000515070101 517200421 /nfs/dbraw/zinc/20/04/21/517200421.db2.gz YKTJCQJLKUYHJT-LBPRGKRZSA-N 1 2 373.507 2.982 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC1(C(=O)OC)CCCCC1)Cc1ccc(OC)cc1 ZINC000532924635 517204339 /nfs/dbraw/zinc/20/43/39/517204339.db2.gz CCHAJTMPORGIIS-UHFFFAOYSA-N 1 2 374.481 2.675 20 30 FFEDLO C=CC[N@H+](CC(=O)NC1(C(=O)OC)CCCCC1)Cc1ccc(OC)cc1 ZINC000532924635 517204341 /nfs/dbraw/zinc/20/43/41/517204341.db2.gz CCHAJTMPORGIIS-UHFFFAOYSA-N 1 2 374.481 2.675 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000562604881 517229666 /nfs/dbraw/zinc/22/96/66/517229666.db2.gz UHMCPDCBGWNFKH-SWLSCSKDSA-N 1 2 355.398 2.607 20 30 FFEDLO CC1=C(c2ccco2)C[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000548848365 517254701 /nfs/dbraw/zinc/25/47/01/517254701.db2.gz UZRHXUPCQMWPBF-SFHVURJKSA-N 1 2 361.401 2.963 20 30 FFEDLO CC1=C(c2ccco2)C[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000548848365 517254709 /nfs/dbraw/zinc/25/47/09/517254709.db2.gz UZRHXUPCQMWPBF-SFHVURJKSA-N 1 2 361.401 2.963 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NCCCCn2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000541871341 517266077 /nfs/dbraw/zinc/26/60/77/517266077.db2.gz IMWQEPWJKMQMGE-UHFFFAOYSA-N 1 2 372.372 2.532 20 30 FFEDLO COCCOc1ccccc1N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000537647221 517279355 /nfs/dbraw/zinc/27/93/55/517279355.db2.gz HRZAGQJNUDNKLX-UHFFFAOYSA-N 1 2 357.479 2.967 20 30 FFEDLO C=CCN(C)S(=O)(=O)c1ccc(NCc2cc(OC)cc(C)[nH+]2)cc1 ZINC000537653441 517281240 /nfs/dbraw/zinc/28/12/40/517281240.db2.gz YNSUGSFUJURUMF-UHFFFAOYSA-N 1 2 361.467 2.817 20 30 FFEDLO CN(Cc1ccc(C#N)cc1)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000552927869 517444310 /nfs/dbraw/zinc/44/43/10/517444310.db2.gz IEONSUZOJMDODE-AWEZNQCLSA-N 1 2 350.344 2.986 20 30 FFEDLO CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000533486274 517487887 /nfs/dbraw/zinc/48/78/87/517487887.db2.gz LPTHXQCDNCDCFW-IIBYNOLFSA-N 1 2 372.513 2.542 20 30 FFEDLO CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000533486274 517487895 /nfs/dbraw/zinc/48/78/95/517487895.db2.gz LPTHXQCDNCDCFW-IIBYNOLFSA-N 1 2 372.513 2.542 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc(OC)c1O ZINC000559927598 517491000 /nfs/dbraw/zinc/49/10/00/517491000.db2.gz DINKJUHVYITNGO-UHFFFAOYSA-N 1 2 371.412 2.742 20 30 FFEDLO CN(Cc1cccc(C#N)c1)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000520780302 517510023 /nfs/dbraw/zinc/51/00/23/517510023.db2.gz MHLJHJSQZWYPRD-AWEZNQCLSA-N 1 2 350.344 2.986 20 30 FFEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)Cc1cc(Br)ccc1F ZINC000527135264 517522146 /nfs/dbraw/zinc/52/21/46/517522146.db2.gz AZJOIBMQMSKCRK-UHFFFAOYSA-N 1 2 354.223 2.582 20 30 FFEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1cc(Br)ccc1F ZINC000527135264 517522154 /nfs/dbraw/zinc/52/21/54/517522154.db2.gz AZJOIBMQMSKCRK-UHFFFAOYSA-N 1 2 354.223 2.582 20 30 FFEDLO C=CCCOCCCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000538264938 517530705 /nfs/dbraw/zinc/53/07/05/517530705.db2.gz HYDGZWJLCQXNHX-UHFFFAOYSA-N 1 2 355.482 2.965 20 30 FFEDLO CN(CC(C)(C)C#N)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000556638818 517536605 /nfs/dbraw/zinc/53/66/05/517536605.db2.gz SJEBPRKYZBKQGN-UHFFFAOYSA-N 1 2 367.453 2.709 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000556655986 517544460 /nfs/dbraw/zinc/54/44/60/517544460.db2.gz SQPMBJIEDNTTPN-UHFFFAOYSA-N 1 2 368.481 2.854 20 30 FFEDLO Cc1cc(C#N)cnc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000556695620 517578338 /nfs/dbraw/zinc/57/83/38/517578338.db2.gz IIKQMDRQUJRBLY-WMZOPIPTSA-N 1 2 356.376 2.715 20 30 FFEDLO Cc1cc(C#N)cnc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000556695620 517578348 /nfs/dbraw/zinc/57/83/48/517578348.db2.gz IIKQMDRQUJRBLY-WMZOPIPTSA-N 1 2 356.376 2.715 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546212697 517601247 /nfs/dbraw/zinc/60/12/47/517601247.db2.gz DWDAGZUJFNGXNN-CQSZACIVSA-N 1 2 369.856 2.756 20 30 FFEDLO COc1ccc(OCC[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1 ZINC000553251855 517601834 /nfs/dbraw/zinc/60/18/34/517601834.db2.gz MVIXBHILZKMJEY-UHFFFAOYSA-N 1 2 358.467 2.533 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c1C#N ZINC000533777714 517607505 /nfs/dbraw/zinc/60/75/05/517607505.db2.gz HFZWVSQJVKNANZ-UHFFFAOYSA-N 1 2 352.390 2.748 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1C#N ZINC000533777714 517607511 /nfs/dbraw/zinc/60/75/11/517607511.db2.gz HFZWVSQJVKNANZ-UHFFFAOYSA-N 1 2 352.390 2.748 20 30 FFEDLO COC(=O)c1cccc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)c1C#N ZINC000542540666 517619924 /nfs/dbraw/zinc/61/99/24/517619924.db2.gz JAEIJMZYYBYLPU-CJAUYULYSA-N 1 2 356.447 2.554 20 30 FFEDLO C=CC[N@@H+](Cc1nnc(C(C)C)n1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000553277584 517619951 /nfs/dbraw/zinc/61/99/51/517619951.db2.gz QAWLAFFCDDDYFN-HNNXBMFYSA-N 1 2 366.473 2.663 20 30 FFEDLO C=CC[N@H+](Cc1nnc(C(C)C)n1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000553277584 517619960 /nfs/dbraw/zinc/61/99/60/517619960.db2.gz QAWLAFFCDDDYFN-HNNXBMFYSA-N 1 2 366.473 2.663 20 30 FFEDLO CC[C@H](NCc1nc(C#N)cs1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000516217260 517621111 /nfs/dbraw/zinc/62/11/11/517621111.db2.gz FIWUCNMSNQGQTE-ROUUACIJSA-N 1 2 356.495 2.784 20 30 FFEDLO CC[C@H](NCc1nc(C#N)cs1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000516217260 517621118 /nfs/dbraw/zinc/62/11/18/517621118.db2.gz FIWUCNMSNQGQTE-ROUUACIJSA-N 1 2 356.495 2.784 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000560205206 517635916 /nfs/dbraw/zinc/63/59/16/517635916.db2.gz ISBAYOCBJYOKTA-GFCCVEGCSA-N 1 2 350.260 2.568 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCc2ccc(Br)cc2C1 ZINC000560205206 517635923 /nfs/dbraw/zinc/63/59/23/517635923.db2.gz ISBAYOCBJYOKTA-GFCCVEGCSA-N 1 2 350.260 2.568 20 30 FFEDLO CC(=O)NCC[N@H+](CCOCCC#N)Cc1ccc(Cl)cc1Cl ZINC000549612967 517638601 /nfs/dbraw/zinc/63/86/01/517638601.db2.gz JJSHTSHTEQZZCL-UHFFFAOYSA-N 1 2 358.269 2.862 20 30 FFEDLO CC(=O)NCC[N@@H+](CCOCCC#N)Cc1ccc(Cl)cc1Cl ZINC000549612967 517638609 /nfs/dbraw/zinc/63/86/09/517638609.db2.gz JJSHTSHTEQZZCL-UHFFFAOYSA-N 1 2 358.269 2.862 20 30 FFEDLO COc1cccc2c1[nH+]cc(C)c2N(C)CCCc1[nH]nc(N)c1C#N ZINC000530326675 517707528 /nfs/dbraw/zinc/70/75/28/517707528.db2.gz UQHGCCCPQGEOJX-UHFFFAOYSA-N 1 2 350.426 2.628 20 30 FFEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)CC1 ZINC000527512605 517720445 /nfs/dbraw/zinc/72/04/45/517720445.db2.gz RATCGSMEUNNTRR-UHFFFAOYSA-N 1 2 356.466 2.848 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000563219873 517747752 /nfs/dbraw/zinc/74/77/52/517747752.db2.gz AJJAVMRTHPXSFF-MRXNPFEDSA-N 1 2 366.252 2.753 20 30 FFEDLO Cn1c2ccc(NC(=O)C(=O)NCC#Cc3ccccc3)cc2[nH+]c1C1CC1 ZINC000534123709 517750280 /nfs/dbraw/zinc/75/02/80/517750280.db2.gz IUOCIODPUUZICI-UHFFFAOYSA-N 1 2 372.428 2.557 20 30 FFEDLO C[C@H](Sc1ccc(C#N)cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000549987195 517815457 /nfs/dbraw/zinc/81/54/57/517815457.db2.gz IFHZYPYPRQIOSU-HNNXBMFYSA-N 1 2 352.463 2.783 20 30 FFEDLO N#CC1(CS(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)CCCCC1 ZINC000521687417 517827549 /nfs/dbraw/zinc/82/75/49/517827549.db2.gz OEJUNGNFQVNRJZ-UHFFFAOYSA-N 1 2 372.494 2.825 20 30 FFEDLO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000521725013 517839476 /nfs/dbraw/zinc/83/94/76/517839476.db2.gz DGTOXEBJPXYDDB-GOSISDBHSA-N 1 2 360.458 2.755 20 30 FFEDLO CC[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc(OC)cc1OC ZINC000521819895 517859862 /nfs/dbraw/zinc/85/98/62/517859862.db2.gz LXKDTVXQDPUVNN-UHFFFAOYSA-N 1 2 367.449 2.714 20 30 FFEDLO CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc(OC)cc1OC ZINC000521819895 517859868 /nfs/dbraw/zinc/85/98/68/517859868.db2.gz LXKDTVXQDPUVNN-UHFFFAOYSA-N 1 2 367.449 2.714 20 30 FFEDLO N#CCc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000543139251 517928516 /nfs/dbraw/zinc/92/85/16/517928516.db2.gz OOWWYUBGMONQER-UHFFFAOYSA-N 1 2 370.434 2.680 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000550394633 518029225 /nfs/dbraw/zinc/02/92/25/518029225.db2.gz ZDFXGIHJCOWPKG-QZTJIDSGSA-N 1 2 355.825 2.891 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000550394633 518029237 /nfs/dbraw/zinc/02/92/37/518029237.db2.gz ZDFXGIHJCOWPKG-QZTJIDSGSA-N 1 2 355.825 2.891 20 30 FFEDLO Cc1nc(NCc2cccc(C(=O)N(C)Cc3ccc(C#N)cc3)c2)cc[nH+]1 ZINC000543539213 518129834 /nfs/dbraw/zinc/12/98/34/518129834.db2.gz SZGXRVNQQGJKKN-UHFFFAOYSA-N 1 2 371.444 2.963 20 30 FFEDLO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(Br)c2O)CC1 ZINC000517370103 518129992 /nfs/dbraw/zinc/12/99/92/518129992.db2.gz HKVDYEDRHNYRMR-UHFFFAOYSA-N 1 2 353.260 2.925 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000543548519 518134369 /nfs/dbraw/zinc/13/43/69/518134369.db2.gz UQPQBYWRQRIRRB-QUJCMNEKSA-N 1 2 373.432 2.969 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1)OCC ZINC000535150574 518159556 /nfs/dbraw/zinc/15/95/56/518159556.db2.gz ACJLTVBGSOBLIT-PMACEKPBSA-N 1 2 360.498 2.856 20 30 FFEDLO N#Cc1ccccc1SCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000563878795 518211767 /nfs/dbraw/zinc/21/17/67/518211767.db2.gz VDCYJHQHKNHMPV-UHFFFAOYSA-N 1 2 351.475 2.995 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000569779361 518283013 /nfs/dbraw/zinc/28/30/13/518283013.db2.gz KXURNAOJYROOQU-IBGZPJMESA-N 1 2 362.473 2.879 20 30 FFEDLO Cc1cc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)ncc1C#N ZINC000578608738 518288648 /nfs/dbraw/zinc/28/86/48/518288648.db2.gz KSZODICWFOWYLU-GOSISDBHSA-N 1 2 361.405 2.885 20 30 FFEDLO Cc1cc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)ncc1C#N ZINC000578608738 518288656 /nfs/dbraw/zinc/28/86/56/518288656.db2.gz KSZODICWFOWYLU-GOSISDBHSA-N 1 2 361.405 2.885 20 30 FFEDLO Cn1c[nH+]cc1CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000581481385 518307198 /nfs/dbraw/zinc/30/71/98/518307198.db2.gz CBEAXJUAKICVRH-UHFFFAOYSA-N 1 2 374.404 2.866 20 30 FFEDLO C=CCOc1ccccc1C[N@H+]1CCc2c(cccc2S(=O)(=O)NC)C1 ZINC000578758576 518361483 /nfs/dbraw/zinc/36/14/83/518361483.db2.gz KPMVZVVMIIABTF-UHFFFAOYSA-N 1 2 372.490 2.718 20 30 FFEDLO C=CCOc1ccccc1C[N@@H+]1CCc2c(cccc2S(=O)(=O)NC)C1 ZINC000578758576 518361490 /nfs/dbraw/zinc/36/14/90/518361490.db2.gz KPMVZVVMIIABTF-UHFFFAOYSA-N 1 2 372.490 2.718 20 30 FFEDLO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000569931636 518361626 /nfs/dbraw/zinc/36/16/26/518361626.db2.gz GJFSPZUKRBICTK-KRWDZBQOSA-N 1 2 350.378 2.704 20 30 FFEDLO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000569931636 518361630 /nfs/dbraw/zinc/36/16/30/518361630.db2.gz GJFSPZUKRBICTK-KRWDZBQOSA-N 1 2 350.378 2.704 20 30 FFEDLO COc1c(C)nc(C2CC2)nc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000567405171 518507145 /nfs/dbraw/zinc/50/71/45/518507145.db2.gz TZWCQQPGMNMJML-UHFFFAOYSA-N 1 2 363.465 2.865 20 30 FFEDLO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1nc(C(C)(C)C)no1 ZINC000573407421 518647636 /nfs/dbraw/zinc/64/76/36/518647636.db2.gz NABLYLZLKRMTNX-HIFRSBDPSA-N 1 2 358.442 2.524 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CCc4c[nH+]cn4C3)cc2)nc1 ZINC000587036198 518674460 /nfs/dbraw/zinc/67/44/60/518674460.db2.gz NUZZENSQBGNUHB-MRXNPFEDSA-N 1 2 359.389 2.687 20 30 FFEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000587971360 518688514 /nfs/dbraw/zinc/68/85/14/518688514.db2.gz BXIDIUNZADYLOG-WCQYABFASA-N 1 2 368.264 2.800 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000579560558 518738392 /nfs/dbraw/zinc/73/83/92/518738392.db2.gz UFLBDZXVWRBXMC-GASCZTMLSA-N 1 2 355.463 2.674 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000579560558 518738400 /nfs/dbraw/zinc/73/84/00/518738400.db2.gz UFLBDZXVWRBXMC-GASCZTMLSA-N 1 2 355.463 2.674 20 30 FFEDLO C[C@]([NH2+]Cc1ccc(Br)cc1C#N)(C(N)=O)c1ccccc1 ZINC000588202343 518748942 /nfs/dbraw/zinc/74/89/42/518748942.db2.gz NBSCDLXSVLDGIX-QGZVFWFLSA-N 1 2 358.239 2.811 20 30 FFEDLO CCCOc1c(Cl)cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1OC ZINC000582641295 518850473 /nfs/dbraw/zinc/85/04/73/518850473.db2.gz FZTQROFPMBGINO-KRWDZBQOSA-N 1 2 353.850 2.711 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cc3cccc(C)c3s2)c1C#N ZINC000579891812 518903444 /nfs/dbraw/zinc/90/34/44/518903444.db2.gz IJRPYNCMDALBCE-UHFFFAOYSA-N 1 2 353.451 2.631 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1cnn(C)c1C ZINC000579914079 518913022 /nfs/dbraw/zinc/91/30/22/518913022.db2.gz NUBDWFHGYOEVGS-MRXNPFEDSA-N 1 2 369.469 2.504 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1cnn(C)c1C ZINC000579914079 518913026 /nfs/dbraw/zinc/91/30/26/518913026.db2.gz NUBDWFHGYOEVGS-MRXNPFEDSA-N 1 2 369.469 2.504 20 30 FFEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@@](F)(c4ccccc4)C3)C2=O)cc1 ZINC000574101918 518987821 /nfs/dbraw/zinc/98/78/21/518987821.db2.gz WXZLHRIWSRFROH-RXVVDRJESA-N 1 2 363.392 2.761 20 30 FFEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@@](F)(c4ccccc4)C3)C2=O)cc1 ZINC000574101918 518987827 /nfs/dbraw/zinc/98/78/27/518987827.db2.gz WXZLHRIWSRFROH-RXVVDRJESA-N 1 2 363.392 2.761 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCc1ccccc1Br ZINC000577282905 519005455 /nfs/dbraw/zinc/00/54/55/519005455.db2.gz CGYNKLPCINJQHX-INIZCTEOSA-N 1 2 352.276 2.732 20 30 FFEDLO CC[C@@H](C(=O)OC)N1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000589516749 519024090 /nfs/dbraw/zinc/02/40/90/519024090.db2.gz WOVBMBQKPQPYNA-INIZCTEOSA-N 1 2 369.387 2.646 20 30 FFEDLO Cc1ccccc1-c1noc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000590005049 519125337 /nfs/dbraw/zinc/12/53/37/519125337.db2.gz AMGGWLBOJVTCSV-MRXNPFEDSA-N 1 2 361.405 2.965 20 30 FFEDLO Cc1ccccc1-c1noc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000590005049 519125342 /nfs/dbraw/zinc/12/53/42/519125342.db2.gz AMGGWLBOJVTCSV-MRXNPFEDSA-N 1 2 361.405 2.965 20 30 FFEDLO CC1(C)C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000590014352 519129622 /nfs/dbraw/zinc/12/96/22/519129622.db2.gz SUJQEDCEJBQRBG-GOEBONIOSA-N 1 2 372.387 2.534 20 30 FFEDLO CC1(C)C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000590014352 519129627 /nfs/dbraw/zinc/12/96/27/519129627.db2.gz SUJQEDCEJBQRBG-GOEBONIOSA-N 1 2 372.387 2.534 20 30 FFEDLO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000577571579 519143237 /nfs/dbraw/zinc/14/32/37/519143237.db2.gz NXABMCOIIZCPCY-JSGCOSHPSA-N 1 2 350.344 2.844 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1ccccc1OCc1ccccc1 ZINC000568638406 519143409 /nfs/dbraw/zinc/14/34/09/519143409.db2.gz XKGNUNZHQFZMEI-OAQYLSRUSA-N 1 2 367.449 2.604 20 30 FFEDLO Cn1cc(C[NH+]2CCN(c3c(C#N)cnc4c(Cl)cccc43)CC2)cn1 ZINC000566006944 519244010 /nfs/dbraw/zinc/24/40/10/519244010.db2.gz XLGOAQOCAQXZQY-UHFFFAOYSA-N 1 2 366.856 2.816 20 30 FFEDLO N#Cc1cncc(Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)n1 ZINC000583492998 519277553 /nfs/dbraw/zinc/27/75/53/519277553.db2.gz FXXSVVXWHIRXQN-UHFFFAOYSA-N 1 2 363.450 2.676 20 30 FFEDLO C=CCCCCCNC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000574770870 519323334 /nfs/dbraw/zinc/32/33/34/519323334.db2.gz QDYGHYSABUPZDB-KRWDZBQOSA-N 1 2 372.444 2.627 20 30 FFEDLO N#Cc1ccc(CNC(=O)N2CCC[N@H+](Cc3cscn3)CC2)cc1F ZINC000590838703 519395410 /nfs/dbraw/zinc/39/54/10/519395410.db2.gz IMEYCZUTCWHTIE-UHFFFAOYSA-N 1 2 373.457 2.571 20 30 FFEDLO N#Cc1ccc(CNC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)cc1F ZINC000590838703 519395415 /nfs/dbraw/zinc/39/54/15/519395415.db2.gz IMEYCZUTCWHTIE-UHFFFAOYSA-N 1 2 373.457 2.571 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000574908501 519399106 /nfs/dbraw/zinc/39/91/06/519399106.db2.gz MRTKAHSWVRGGDK-FUHWJXTLSA-N 1 2 367.474 2.997 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000574908501 519399114 /nfs/dbraw/zinc/39/91/14/519399114.db2.gz MRTKAHSWVRGGDK-FUHWJXTLSA-N 1 2 367.474 2.997 20 30 FFEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000569150542 519401470 /nfs/dbraw/zinc/40/14/70/519401470.db2.gz TXSAECZCNKKUIW-LJQANCHMSA-N 1 2 368.481 2.782 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000591051416 519491671 /nfs/dbraw/zinc/49/16/71/519491671.db2.gz WIIYPLDOWRCLSS-VQTJNVASSA-N 1 2 353.466 2.649 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000591051416 519491677 /nfs/dbraw/zinc/49/16/77/519491677.db2.gz WIIYPLDOWRCLSS-VQTJNVASSA-N 1 2 353.466 2.649 20 30 FFEDLO CC(C)(NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1[nH]cc[nH+]1 ZINC000566683719 519611166 /nfs/dbraw/zinc/61/11/66/519611166.db2.gz IPIUYQOSPLUVGL-UHFFFAOYSA-N 1 2 355.417 2.688 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)CC2(C#N)CCCC2)c1C ZINC000566766955 519632228 /nfs/dbraw/zinc/63/22/28/519632228.db2.gz OKKPNAJYJFEVLY-UHFFFAOYSA-N 1 2 351.472 2.553 20 30 FFEDLO C[C@H]1C[NH+](Cc2nnc(-c3ccc(Cl)cc3)n2C)C[C@H](C)N1CC#N ZINC000602853580 519926027 /nfs/dbraw/zinc/92/60/27/519926027.db2.gz KUSZELOZFDXXIF-KBPBESRZSA-N 1 2 358.877 2.554 20 30 FFEDLO C[C@H](NC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1)c1cccc2ccccc21 ZINC000602855301 519927064 /nfs/dbraw/zinc/92/70/64/519927064.db2.gz GHXCTRXZRDRMSO-BZSNNMDCSA-N 1 2 364.493 2.935 20 30 FFEDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@H](C)N1CC#N ZINC000602856107 519929335 /nfs/dbraw/zinc/92/93/35/519929335.db2.gz YMGZFFHTMBAUGW-IIYDPXPESA-N 1 2 364.852 2.503 20 30 FFEDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@H](C)N1CC#N ZINC000602856107 519929344 /nfs/dbraw/zinc/92/93/44/519929344.db2.gz YMGZFFHTMBAUGW-IIYDPXPESA-N 1 2 364.852 2.503 20 30 FFEDLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000602862731 519936508 /nfs/dbraw/zinc/93/65/08/519936508.db2.gz NQILHAOBPBJTQZ-FGTMMUONSA-N 1 2 364.493 2.935 20 30 FFEDLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000602862731 519936512 /nfs/dbraw/zinc/93/65/12/519936512.db2.gz NQILHAOBPBJTQZ-FGTMMUONSA-N 1 2 364.493 2.935 20 30 FFEDLO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866375 519938034 /nfs/dbraw/zinc/93/80/34/519938034.db2.gz VSONFSPAHIQUAN-TWMKSMIVSA-N 1 2 360.527 2.718 20 30 FFEDLO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866375 519938043 /nfs/dbraw/zinc/93/80/43/519938043.db2.gz VSONFSPAHIQUAN-TWMKSMIVSA-N 1 2 360.527 2.718 20 30 FFEDLO CCOC(=O)[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000602936937 519981695 /nfs/dbraw/zinc/98/16/95/519981695.db2.gz HIKSRUCPHQDTRO-HOTGVXAUSA-N 1 2 352.862 2.705 20 30 FFEDLO CC[C@@H](C)[C@@H]1CN(Cc2ccncc2C#N)CC[N@@H+]1Cc1ccncc1C#N ZINC000592085653 520172996 /nfs/dbraw/zinc/17/29/96/520172996.db2.gz IGVBWOFZLJOYQB-VGSWGCGISA-N 1 2 374.492 2.952 20 30 FFEDLO CC[C@@H](C)[C@@H]1CN(Cc2ccncc2C#N)CC[N@H+]1Cc1ccncc1C#N ZINC000592085653 520173003 /nfs/dbraw/zinc/17/30/03/520173003.db2.gz IGVBWOFZLJOYQB-VGSWGCGISA-N 1 2 374.492 2.952 20 30 FFEDLO N#Cc1cnccc1CN1CC[N@H+](Cc2ccncc2C#N)[C@@H]2CCCC[C@H]21 ZINC000592122634 520197670 /nfs/dbraw/zinc/19/76/70/520197670.db2.gz OOIFEBLAYQOMFY-FGZHOGPDSA-N 1 2 372.476 2.849 20 30 FFEDLO N#Cc1cnccc1CN1CC[N@@H+](Cc2ccncc2C#N)[C@@H]2CCCC[C@H]21 ZINC000592122634 520197677 /nfs/dbraw/zinc/19/76/77/520197677.db2.gz OOIFEBLAYQOMFY-FGZHOGPDSA-N 1 2 372.476 2.849 20 30 FFEDLO C[C@H](NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccc(Cl)cc1Cl ZINC000592149882 520229536 /nfs/dbraw/zinc/22/95/36/520229536.db2.gz YUXZMRSPHWFQAN-ZBEGNZNMSA-N 1 2 356.253 2.521 20 30 FFEDLO C[C@H](NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccc(Cl)cc1Cl ZINC000592149882 520229541 /nfs/dbraw/zinc/22/95/41/520229541.db2.gz YUXZMRSPHWFQAN-ZBEGNZNMSA-N 1 2 356.253 2.521 20 30 FFEDLO COC(=O)c1cccc2c1C[N@H+](CCOc1ccc(C#N)cc1OC)CC2 ZINC000592160112 520237896 /nfs/dbraw/zinc/23/78/96/520237896.db2.gz YNWYCBXOIIFYKR-UHFFFAOYSA-N 1 2 366.417 2.791 20 30 FFEDLO COC(=O)c1cccc2c1C[N@@H+](CCOc1ccc(C#N)cc1OC)CC2 ZINC000592160112 520237905 /nfs/dbraw/zinc/23/79/05/520237905.db2.gz YNWYCBXOIIFYKR-UHFFFAOYSA-N 1 2 366.417 2.791 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1nnc2n1CCCCC2 ZINC000613062691 520298078 /nfs/dbraw/zinc/29/80/78/520298078.db2.gz QUEHOZKIVSDLIB-KGLIPLIRSA-N 1 2 352.442 2.554 20 30 FFEDLO C=CC[N@@H+](Cc1ccoc1C(=O)OC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000609431557 520310920 /nfs/dbraw/zinc/31/09/20/520310920.db2.gz LSWQZRZOOLSJKG-CQSZACIVSA-N 1 2 367.409 2.791 20 30 FFEDLO C=CC[N@H+](Cc1ccoc1C(=O)OC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000609431557 520310928 /nfs/dbraw/zinc/31/09/28/520310928.db2.gz LSWQZRZOOLSJKG-CQSZACIVSA-N 1 2 367.409 2.791 20 30 FFEDLO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609485654 520328915 /nfs/dbraw/zinc/32/89/15/520328915.db2.gz UQFXTUKLCOTZHD-VQTJNVASSA-N 1 2 356.514 2.762 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000609537978 520347311 /nfs/dbraw/zinc/34/73/11/520347311.db2.gz GQVLIBKJDGWGPI-KSZLIROESA-N 1 2 374.554 2.966 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000609539291 520350510 /nfs/dbraw/zinc/35/05/10/520350510.db2.gz WZUDPGQKOUDGHT-WFXMLNOXSA-N 1 2 368.525 2.909 20 30 FFEDLO N#Cc1ccc(CC[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 ZINC000595304325 520398552 /nfs/dbraw/zinc/39/85/52/520398552.db2.gz CNNHURJTZARMJA-UHFFFAOYSA-N 1 2 355.388 2.837 20 30 FFEDLO Cc1cc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nc(C)n1 ZINC000595353369 520422805 /nfs/dbraw/zinc/42/28/05/520422805.db2.gz GYPHIXRQLNODMZ-UHFFFAOYSA-N 1 2 364.409 2.535 20 30 FFEDLO COc1cc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)ccc1C#N ZINC000592521193 520437076 /nfs/dbraw/zinc/43/70/76/520437076.db2.gz WCULQGIJRCJMGZ-FQEVSTJZSA-N 1 2 361.445 2.772 20 30 FFEDLO COc1cc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)ccc1C#N ZINC000592521193 520437083 /nfs/dbraw/zinc/43/70/83/520437083.db2.gz WCULQGIJRCJMGZ-FQEVSTJZSA-N 1 2 361.445 2.772 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000600830414 520492222 /nfs/dbraw/zinc/49/22/22/520492222.db2.gz TXKFCVIDSCGGFM-XLIONFOSSA-N 1 2 370.472 2.597 20 30 FFEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CCO1 ZINC000609990313 520497539 /nfs/dbraw/zinc/49/75/39/520497539.db2.gz JLNBXFWPZJPWIE-MRXNPFEDSA-N 1 2 364.449 2.752 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CCO1 ZINC000609990313 520497544 /nfs/dbraw/zinc/49/75/44/520497544.db2.gz JLNBXFWPZJPWIE-MRXNPFEDSA-N 1 2 364.449 2.752 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCn2c[nH+]cc2C1 ZINC000595492583 520505327 /nfs/dbraw/zinc/50/53/27/520505327.db2.gz XEAZXNNTYQOXAN-ZDUSSCGKSA-N 1 2 369.494 2.928 20 30 FFEDLO N#CC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCCC1 ZINC000598302616 520546257 /nfs/dbraw/zinc/54/62/57/520546257.db2.gz KKVIKSRXYKHRET-UHFFFAOYSA-N 1 2 353.382 2.984 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c(F)cc(F)cc3F)CC2)cc1 ZINC000610195126 520575086 /nfs/dbraw/zinc/57/50/86/520575086.db2.gz WCTIPKUHZGJBTN-UHFFFAOYSA-N 1 2 359.351 2.934 20 30 FFEDLO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595610377 520589426 /nfs/dbraw/zinc/58/94/26/520589426.db2.gz XMSNIVYTEPZJRY-SFHVURJKSA-N 1 2 370.497 2.798 20 30 FFEDLO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595610377 520589431 /nfs/dbraw/zinc/58/94/31/520589431.db2.gz XMSNIVYTEPZJRY-SFHVURJKSA-N 1 2 370.497 2.798 20 30 FFEDLO N#Cc1sccc1N1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000595629116 520606247 /nfs/dbraw/zinc/60/62/47/520606247.db2.gz CKQSEBCAUDIZTJ-UHFFFAOYSA-N 1 2 369.359 2.956 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1 ZINC000595686142 520649552 /nfs/dbraw/zinc/64/95/52/520649552.db2.gz QPFVKBHBBNTSOL-QGZVFWFLSA-N 1 2 363.465 2.584 20 30 FFEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N[C@@H](C)c3ccc(C#N)cc3)ccc2n1C ZINC000610375683 520656837 /nfs/dbraw/zinc/65/68/37/520656837.db2.gz VYZLAGXJMDZXPN-LBPRGKRZSA-N 1 2 361.405 2.569 20 30 FFEDLO N#Cc1ccc(C[NH2+]Cc2nnc(C3CCOCC3)[nH]2)c(C(F)(F)F)c1 ZINC000601147651 520659930 /nfs/dbraw/zinc/65/99/30/520659930.db2.gz VLRGHWFBEIAKQJ-UHFFFAOYSA-N 1 2 365.359 2.879 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000593006524 520679032 /nfs/dbraw/zinc/67/90/32/520679032.db2.gz FUZVLWQUXVLKHM-UHFFFAOYSA-N 1 2 366.421 2.793 20 30 FFEDLO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1)c1nnc2n1CCCCC2 ZINC000595799905 520735638 /nfs/dbraw/zinc/73/56/38/520735638.db2.gz JTUPAAWUFMCOOF-RHSMWYFYSA-N 1 2 366.469 2.944 20 30 FFEDLO CC[NH+](CC)[C@@H](CNC(=O)N=c1[nH]n(C)cc1C#N)c1ccccc1Cl ZINC000610560633 520739256 /nfs/dbraw/zinc/73/92/56/520739256.db2.gz HMUYJGYMBMZKCY-INIZCTEOSA-N 1 2 374.876 2.572 20 30 FFEDLO CC[C@@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)c1nnc2n1CCCCC2 ZINC000595807404 520739991 /nfs/dbraw/zinc/73/99/91/520739991.db2.gz YWTALJOSGFOMPW-HZPDHXFCSA-N 1 2 372.517 2.776 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+]1CCOC(C2CC2)(C2CC2)C1)c1ccccc1 ZINC000595822633 520747886 /nfs/dbraw/zinc/74/78/86/520747886.db2.gz YNVGGOSJSFADIZ-UHFFFAOYSA-N 1 2 353.466 2.824 20 30 FFEDLO N#CCCN(C(=O)C[N@H+]1CCOC(C2CC2)(C2CC2)C1)c1ccccc1 ZINC000595822633 520747898 /nfs/dbraw/zinc/74/78/98/520747898.db2.gz YNVGGOSJSFADIZ-UHFFFAOYSA-N 1 2 353.466 2.824 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000610581182 520750736 /nfs/dbraw/zinc/75/07/36/520750736.db2.gz JQPAPUBFTBOSMQ-ZJOUEHCJSA-N 1 2 361.445 2.841 20 30 FFEDLO N#C[C@@H](CCc1ccccc1)C(=O)N1CCc2[nH]c[nH+]c2C12CCOCC2 ZINC000601651367 520885723 /nfs/dbraw/zinc/88/57/23/520885723.db2.gz FGVUXVONIJWTNT-QGZVFWFLSA-N 1 2 364.449 2.573 20 30 FFEDLO CCc1nc(C#N)cc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1 ZINC000596064128 520888663 /nfs/dbraw/zinc/88/86/63/520888663.db2.gz BOLXLMCMTKCWLG-UHFFFAOYSA-N 1 2 371.872 2.765 20 30 FFEDLO Cc1ccc([C@H](CNC(=O)NCC2(C#N)CCCC2)[NH+]2CCOCC2)cc1 ZINC000593315989 520903353 /nfs/dbraw/zinc/90/33/53/520903353.db2.gz OBZFZNOBOLQVQU-IBGZPJMESA-N 1 2 370.497 2.752 20 30 FFEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N2CCC[C@@H](CC#N)C2)cc1 ZINC000596101948 520912359 /nfs/dbraw/zinc/91/23/59/520912359.db2.gz OHWROGHGZHNFHH-AZUAARDMSA-N 1 2 370.497 2.704 20 30 FFEDLO Cc1cc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)ccc1C#N ZINC000618175723 520918582 /nfs/dbraw/zinc/91/85/82/520918582.db2.gz AINUXECCSVIBSF-GOSISDBHSA-N 1 2 366.446 2.668 20 30 FFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601726583 520921027 /nfs/dbraw/zinc/92/10/27/520921027.db2.gz BTSJQFZFAGQKEN-KRWDZBQOSA-N 1 2 363.461 2.787 20 30 FFEDLO Cc1cccc(S(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)c1C#N ZINC000611015317 520947746 /nfs/dbraw/zinc/94/77/46/520947746.db2.gz LTKYCSZOHPBSTA-UHFFFAOYSA-N 1 2 366.446 2.590 20 30 FFEDLO CO[C@@H]1CN(c2cc(C)[nH+]c(N3CC[C@H](C)[C@H](OC)C3)c2C#N)CC[C@H]1C ZINC000596202788 520967681 /nfs/dbraw/zinc/96/76/81/520967681.db2.gz ISMOCHXPMFJCMS-HRYATBACSA-N 1 2 372.513 2.984 20 30 FFEDLO N#Cc1cccc(F)c1CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601855753 520991038 /nfs/dbraw/zinc/99/10/38/520991038.db2.gz OSBRVNUWORWXRE-UHFFFAOYSA-N 1 2 370.453 2.504 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611180477 521025774 /nfs/dbraw/zinc/02/57/74/521025774.db2.gz YAONWPIEENQAQQ-AWEZNQCLSA-N 1 2 368.428 2.539 20 30 FFEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@H](C(F)F)C1 ZINC000611180477 521025781 /nfs/dbraw/zinc/02/57/81/521025781.db2.gz YAONWPIEENQAQQ-AWEZNQCLSA-N 1 2 368.428 2.539 20 30 FFEDLO COc1ccc[nH+]c1N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000599106190 521034160 /nfs/dbraw/zinc/03/41/60/521034160.db2.gz ANTGVBWXZYSPLA-UHFFFAOYSA-N 1 2 360.421 2.679 20 30 FFEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cn1 ZINC000611209137 521036725 /nfs/dbraw/zinc/03/67/25/521036725.db2.gz HVKXRWMOLCIWFK-GFCCVEGCSA-N 1 2 370.478 2.971 20 30 FFEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cn1 ZINC000611209137 521036735 /nfs/dbraw/zinc/03/67/35/521036735.db2.gz HVKXRWMOLCIWFK-GFCCVEGCSA-N 1 2 370.478 2.971 20 30 FFEDLO CCC[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OCC ZINC000599128825 521044722 /nfs/dbraw/zinc/04/47/22/521044722.db2.gz LBNLZUYJJZESEG-LJQANCHMSA-N 1 2 358.486 2.591 20 30 FFEDLO COCC[N@H+](CCC#N)Cc1cc(Br)c2c(c1)OCCO2 ZINC000611268683 521069114 /nfs/dbraw/zinc/06/91/14/521069114.db2.gz AFVRIHRYFGOBJN-UHFFFAOYSA-N 1 2 355.232 2.582 20 30 FFEDLO COCC[N@@H+](CCC#N)Cc1cc(Br)c2c(c1)OCCO2 ZINC000611268683 521069121 /nfs/dbraw/zinc/06/91/21/521069121.db2.gz AFVRIHRYFGOBJN-UHFFFAOYSA-N 1 2 355.232 2.582 20 30 FFEDLO C=CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1)c1ccccc1 ZINC000614666697 521082797 /nfs/dbraw/zinc/08/27/97/521082797.db2.gz XUFXXVSJJWLWPP-FUHWJXTLSA-N 1 2 354.454 2.758 20 30 FFEDLO C=CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1)c1ccccc1 ZINC000614666697 521082801 /nfs/dbraw/zinc/08/28/01/521082801.db2.gz XUFXXVSJJWLWPP-FUHWJXTLSA-N 1 2 354.454 2.758 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N[C@H](CCC#N)c1ccccc1)C(C)(C)CO ZINC000596505464 521103704 /nfs/dbraw/zinc/10/37/04/521103704.db2.gz UBWGBXNZUFYOCV-IAGOWNOFSA-N 1 2 369.469 2.824 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@@H](C#N)c2ccc(F)cc2)cc1 ZINC000602058098 521110784 /nfs/dbraw/zinc/11/07/84/521110784.db2.gz OYONNNKYKFQCHW-OALUTQOASA-N 1 2 353.397 2.790 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@@H](C#N)c2ccc(F)cc2)cc1 ZINC000602058098 521110794 /nfs/dbraw/zinc/11/07/94/521110794.db2.gz OYONNNKYKFQCHW-OALUTQOASA-N 1 2 353.397 2.790 20 30 FFEDLO Cn1cc[nH+]c1[C@H](Cc1ccccc1)NS(=O)(=O)CC1(C#N)CCCC1 ZINC000593645760 521129064 /nfs/dbraw/zinc/12/90/64/521129064.db2.gz PVXSRKKOECCJRV-KRWDZBQOSA-N 1 2 372.494 2.707 20 30 FFEDLO Cn1c2ccc(NC(=O)C(=O)NCC3(C#N)CCCC3)cc2[nH+]c1C1CC1 ZINC000593672072 521144142 /nfs/dbraw/zinc/14/41/42/521144142.db2.gz VSKJWYRVGNFNDG-UHFFFAOYSA-N 1 2 365.437 2.589 20 30 FFEDLO CC(C)(C)OC(=O)C1([NH2+]C[C@H](O)COc2ccccc2C#N)CCCC1 ZINC000599330230 521157164 /nfs/dbraw/zinc/15/71/64/521157164.db2.gz WCXOQRSDXQTIKD-INIZCTEOSA-N 1 2 360.454 2.542 20 30 FFEDLO N#C[C@]1(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CCc2ccccc2C1 ZINC000602141985 521169622 /nfs/dbraw/zinc/16/96/22/521169622.db2.gz RZOBPMHJJVIVAC-WBVHZDCISA-N 1 2 362.355 2.944 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCc2ccc(C#N)cc2)c1C ZINC000596674517 521208438 /nfs/dbraw/zinc/20/84/38/521208438.db2.gz SODIGHCKGUWYLX-UHFFFAOYSA-N 1 2 352.438 2.963 20 30 FFEDLO CC1CCC(NC(=O)C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 ZINC000611550452 521213957 /nfs/dbraw/zinc/21/39/57/521213957.db2.gz FOZDUTLBGVCRLZ-RRWXTXHCSA-N 1 2 372.488 2.703 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553321 521215720 /nfs/dbraw/zinc/21/57/20/521215720.db2.gz WREOCEWFCIQJDO-UXPWSPDFSA-N 1 2 372.488 2.703 20 30 FFEDLO C[C@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599590256 521314824 /nfs/dbraw/zinc/31/48/24/521314824.db2.gz PJAKKTLPBHWENP-YOEHRIQHSA-N 1 2 357.454 2.796 20 30 FFEDLO C[C@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599590256 521314828 /nfs/dbraw/zinc/31/48/28/521314828.db2.gz PJAKKTLPBHWENP-YOEHRIQHSA-N 1 2 357.454 2.796 20 30 FFEDLO N#CCCn1cc(CNc2[nH]c3cc(F)ccc3[nH+]2)c(-c2ccncc2)n1 ZINC000618948517 521318168 /nfs/dbraw/zinc/31/81/68/521318168.db2.gz ORWBAMONWKMAQF-UHFFFAOYSA-N 1 2 361.384 2.908 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000599632578 521344738 /nfs/dbraw/zinc/34/47/38/521344738.db2.gz BHSMGBIVHIOWJI-MVYHEMRASA-N 1 2 373.522 2.536 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000599632578 521344747 /nfs/dbraw/zinc/34/47/47/521344747.db2.gz BHSMGBIVHIOWJI-MVYHEMRASA-N 1 2 373.522 2.536 20 30 FFEDLO CSc1cc(Br)ccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000594024134 521356705 /nfs/dbraw/zinc/35/67/05/521356705.db2.gz CMHJCSDDHFZUAU-CQSZACIVSA-N 1 2 356.289 2.745 20 30 FFEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000596927691 521387819 /nfs/dbraw/zinc/38/78/19/521387819.db2.gz LADGYHUVDUQHLL-CABCVRRESA-N 1 2 374.485 2.966 20 30 FFEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000596927691 521387824 /nfs/dbraw/zinc/38/78/24/521387824.db2.gz LADGYHUVDUQHLL-CABCVRRESA-N 1 2 374.485 2.966 20 30 FFEDLO N#Cc1cccc(-c2cc(C(=O)NCC[NH+]3Cc4ccccc4C3)on2)c1 ZINC000619109708 521402619 /nfs/dbraw/zinc/40/26/19/521402619.db2.gz DVEJDMKTUONWNS-UHFFFAOYSA-N 1 2 358.401 2.959 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCOc3cc(F)ccc3C2)cc1 ZINC000599687822 521403262 /nfs/dbraw/zinc/40/32/62/521403262.db2.gz UWHVOHRJOVQDAH-SFHVURJKSA-N 1 2 356.397 2.526 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCOc3cc(F)ccc3C2)cc1 ZINC000599687822 521403268 /nfs/dbraw/zinc/40/32/68/521403268.db2.gz UWHVOHRJOVQDAH-SFHVURJKSA-N 1 2 356.397 2.526 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000619141351 521415053 /nfs/dbraw/zinc/41/50/53/521415053.db2.gz BNQMYTLSALJLRQ-UXHICEINSA-N 1 2 362.433 2.602 20 30 FFEDLO C=C(C)C[C@H](NCc1c[nH+]c2ccc(Br)cn12)C(=O)OC ZINC000602732742 521501270 /nfs/dbraw/zinc/50/12/70/521501270.db2.gz DDZVCTJRGRLBOU-ZDUSSCGKSA-N 1 2 352.232 2.694 20 30 FFEDLO Cc1cn2ccc(NC(=O)N3CCN(c4ccccc4C#N)CC3)cc2[nH+]1 ZINC000597126727 521523887 /nfs/dbraw/zinc/52/38/87/521523887.db2.gz HLGWAVDKMBDRSG-UHFFFAOYSA-N 1 2 360.421 2.869 20 30 FFEDLO CCN(CC(F)(F)F)C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000602772155 521524109 /nfs/dbraw/zinc/52/41/09/521524109.db2.gz KHLXYXVTIHLPLD-UHFFFAOYSA-N 1 2 369.387 2.812 20 30 FFEDLO C[C@H](c1cccc(NC(=O)CC2(C#N)CCOCC2)c1)[NH+]1CCOCC1 ZINC000597153844 521541804 /nfs/dbraw/zinc/54/18/04/521541804.db2.gz JGPFLESSLJIHBC-MRXNPFEDSA-N 1 2 357.454 2.729 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000597182720 521560393 /nfs/dbraw/zinc/56/03/93/521560393.db2.gz DPPOAENSJIOMCG-MGPQQGTHSA-N 1 2 364.327 2.803 20 30 FFEDLO CCc1oc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc1C(=O)OC ZINC000597184378 521562635 /nfs/dbraw/zinc/56/26/35/521562635.db2.gz UCBIDWDGAAXAIQ-UHFFFAOYSA-N 1 2 359.451 2.884 20 30 FFEDLO N#CCc1cc(Cl)ccc1NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000594364877 521577153 /nfs/dbraw/zinc/57/71/53/521577153.db2.gz MCCFVAQJEBBPGN-UHFFFAOYSA-N 1 2 370.840 2.886 20 30 FFEDLO CN(C)c1[nH+]cccc1CNc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000619476285 521586923 /nfs/dbraw/zinc/58/69/23/521586923.db2.gz YTOICCSQSOKZLW-UHFFFAOYSA-N 1 2 360.465 2.979 20 30 FFEDLO C[C@@]1(C(F)F)C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000597250312 521596029 /nfs/dbraw/zinc/59/60/29/521596029.db2.gz BLYUBDXNGXLIRH-SFHVURJKSA-N 1 2 361.396 2.715 20 30 FFEDLO C[C@@]1(C(F)F)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000597250312 521596036 /nfs/dbraw/zinc/59/60/36/521596036.db2.gz BLYUBDXNGXLIRH-SFHVURJKSA-N 1 2 361.396 2.715 20 30 FFEDLO C=CCn1c(CC(C)(C)C)n[n-]c1=[NH+]c1cnn(C2CC[NH+](C)CC2)c1 ZINC000634341045 523357567 /nfs/dbraw/zinc/35/75/67/523357567.db2.gz JIUXJSKWTMWWFH-UHFFFAOYSA-N 1 2 357.506 2.681 20 30 FFEDLO C=CC[C@@H]1CC[N@@H+](CC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)C1 ZINC000625702236 523632346 /nfs/dbraw/zinc/63/23/46/523632346.db2.gz FUXNIWCNQQAIFA-SJORKVTESA-N 1 2 364.511 2.545 20 30 FFEDLO C=CC[C@@H]1CC[N@H+](CC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)C1 ZINC000625702236 523632348 /nfs/dbraw/zinc/63/23/48/523632348.db2.gz FUXNIWCNQQAIFA-SJORKVTESA-N 1 2 364.511 2.545 20 30 FFEDLO Cc1c(C(=O)C=Cc2c[nH+]c3cccc(C)n23)c(-c2nn[nH]n2)c2n1CCC2 ZINC000822015824 606391206 /nfs/dbraw/zinc/39/12/06/606391206.db2.gz PJTKLIGDQIEPNN-CMDGGOBGSA-N 1 2 373.420 2.775 20 30 FFEDLO CCc1[nH+]c(CN=Nc2oc(C(C)C)nc2-c2nn[nH]n2)c2ccccn21 ZINC000825744462 607887892 /nfs/dbraw/zinc/88/78/92/607887892.db2.gz ATCLKHZJUKIERD-UHFFFAOYSA-N 1 2 365.401 2.634 20 30 FFEDLO Cc1nc(N(C)C)sc1C=[NH+]Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826326793 609473891 /nfs/dbraw/zinc/47/38/91/609473891.db2.gz DZQBYZCFVQYQSS-UHFFFAOYSA-N 1 2 362.850 2.797 20 30 FFEDLO CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1 ZINC000119139480 728588648 /nfs/dbraw/zinc/58/86/48/728588648.db2.gz DXPGWSIPVCWLTM-ZHACJKMWSA-N 1 2 355.419 2.992 20 30 FFEDLO N#CC[N@@H+](Cn1nc(Br)c(=O)c2ccccc21)C1CCCC1 ZINC000124210407 728667656 /nfs/dbraw/zinc/66/76/56/728667656.db2.gz HTVDBNGIGBCKPR-UHFFFAOYSA-N 1 2 361.243 2.885 20 30 FFEDLO N#CC[N@H+](Cn1nc(Br)c(=O)c2ccccc21)C1CCCC1 ZINC000124210407 728667657 /nfs/dbraw/zinc/66/76/57/728667657.db2.gz HTVDBNGIGBCKPR-UHFFFAOYSA-N 1 2 361.243 2.885 20 30 FFEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1=S ZINC000182834053 729289400 /nfs/dbraw/zinc/28/94/00/729289400.db2.gz ODEBNHVLWAATQQ-OAHLLOKOSA-N 1 2 364.515 2.910 20 30 FFEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1=S ZINC000182834053 729289403 /nfs/dbraw/zinc/28/94/03/729289403.db2.gz ODEBNHVLWAATQQ-OAHLLOKOSA-N 1 2 364.515 2.910 20 30 FFEDLO CC[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cccc(C#N)c1O ZINC000924784423 738449030 /nfs/dbraw/zinc/44/90/30/738449030.db2.gz DMYNWWRVGBMMRC-IEBWSBKVSA-N 1 2 361.511 2.512 20 30 FFEDLO CC#CC[NH2+]Cc1cn(Cc2csc(-c3ccc(OC)cc3)n2)nn1 ZINC000640845588 730180212 /nfs/dbraw/zinc/18/02/12/730180212.db2.gz UGMKHLXIAARTLQ-UHFFFAOYSA-N 1 2 353.451 2.571 20 30 FFEDLO N#C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000865655646 730982270 /nfs/dbraw/zinc/98/22/70/730982270.db2.gz KQYCMCHMWQSIEU-YLSAJCSVSA-N 1 2 354.237 2.563 20 30 FFEDLO C[C@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC[C@@H](C(F)(F)F)O1 ZINC000880055464 732835376 /nfs/dbraw/zinc/83/53/76/732835376.db2.gz YTOTXGSCLYQVEV-KBPBESRZSA-N 1 2 361.408 2.713 20 30 FFEDLO C[C@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC[C@@H](C(F)(F)F)O1 ZINC000880055464 732835378 /nfs/dbraw/zinc/83/53/78/732835378.db2.gz YTOTXGSCLYQVEV-KBPBESRZSA-N 1 2 361.408 2.713 20 30 FFEDLO COC(=O)c1ccc(N[NH+]=Cc2cnc(N3CCCC3)nc2)cc1Cl ZINC000782241421 738701222 /nfs/dbraw/zinc/70/12/22/738701222.db2.gz SMEJJWVBTYKMIL-UHFFFAOYSA-N 1 2 359.817 2.963 20 30 FFEDLO C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCS1 ZINC000927254331 738710740 /nfs/dbraw/zinc/71/07/40/738710740.db2.gz UGYRZUOBYRAHOT-QAPCUYQASA-N 1 2 358.511 2.670 20 30 FFEDLO C=CCC1(O)CC[NH+](CN2C(=S)N=NC2Cc2cccs2)CC1 ZINC000884478718 733529379 /nfs/dbraw/zinc/52/93/79/733529379.db2.gz JMFMXQRHHWDHEI-UHFFFAOYSA-N 1 2 350.513 2.580 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782618815 738738841 /nfs/dbraw/zinc/73/88/41/738738841.db2.gz PARFBEFUYZPOCR-VPZZIHKRSA-N 1 2 359.495 2.530 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782618815 738738844 /nfs/dbraw/zinc/73/88/44/738738844.db2.gz PARFBEFUYZPOCR-VPZZIHKRSA-N 1 2 359.495 2.530 20 30 FFEDLO C=CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2c(C)csc2C(=O)OC)CC1 ZINC000886780740 733833766 /nfs/dbraw/zinc/83/37/66/733833766.db2.gz YHMUCFKQGNOCTR-CYBMUJFWSA-N 1 2 366.483 2.573 20 30 FFEDLO C=CCC1(O)CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000886780274 733833797 /nfs/dbraw/zinc/83/37/97/733833797.db2.gz HLECTWOQRYLGAE-MRXNPFEDSA-N 1 2 352.837 2.987 20 30 FFEDLO C=C(C)[C@H](CO)Sc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000677130378 733916242 /nfs/dbraw/zinc/91/62/42/733916242.db2.gz DUWYYCOIURMCQM-KRWDZBQOSA-N 1 2 358.511 2.951 20 30 FFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726256038 734416888 /nfs/dbraw/zinc/41/68/88/734416888.db2.gz MWRQWZSSCUDCQJ-ZDUSSCGKSA-N 1 2 357.907 2.820 20 30 FFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726256038 734416889 /nfs/dbraw/zinc/41/68/89/734416889.db2.gz MWRQWZSSCUDCQJ-ZDUSSCGKSA-N 1 2 357.907 2.820 20 30 FFEDLO C=CC[N@H+](CN1C(=O)N[C@@](c2ccccc2)(C(F)(F)F)C1=O)C(C)C ZINC000728559496 734531482 /nfs/dbraw/zinc/53/14/82/734531482.db2.gz AQKFWLPXMMHENW-MRXNPFEDSA-N 1 2 355.360 2.850 20 30 FFEDLO C=CC[N@@H+](CN1C(=O)N[C@@](c2ccccc2)(C(F)(F)F)C1=O)C(C)C ZINC000728559496 734531484 /nfs/dbraw/zinc/53/14/84/734531484.db2.gz AQKFWLPXMMHENW-MRXNPFEDSA-N 1 2 355.360 2.850 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2CCCCS2)CC1=O ZINC000783685630 738826581 /nfs/dbraw/zinc/82/65/81/738826581.db2.gz ZEFNVNHQTPZRNS-CYBMUJFWSA-N 1 2 356.495 2.932 20 30 FFEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(NS(C)(=O)=O)cc1 ZINC000730147539 734617748 /nfs/dbraw/zinc/61/77/48/734617748.db2.gz QCLITTVJTXQWRU-UHFFFAOYSA-N 1 2 354.435 2.864 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2nc(Br)nn2C)c1 ZINC000894273304 734829060 /nfs/dbraw/zinc/82/90/60/734829060.db2.gz MEGMBBTVOWBWHF-GFCCVEGCSA-N 1 2 364.247 2.548 20 30 FFEDLO C#CC1(O)CC[NH+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000895384618 734998635 /nfs/dbraw/zinc/99/86/35/734998635.db2.gz QGVXWZWLCKBMGY-UHFFFAOYSA-N 1 2 351.237 2.534 20 30 FFEDLO C#CC[C@@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 ZINC000895491250 735014933 /nfs/dbraw/zinc/01/49/33/735014933.db2.gz ZORIXSAYONIYKJ-INIZCTEOSA-N 1 2 357.479 2.918 20 30 FFEDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000752279936 735974080 /nfs/dbraw/zinc/97/40/80/735974080.db2.gz FLGWUUZGJNANBD-CQSZACIVSA-N 1 2 353.369 2.870 20 30 FFEDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000752279936 735974083 /nfs/dbraw/zinc/97/40/83/735974083.db2.gz FLGWUUZGJNANBD-CQSZACIVSA-N 1 2 353.369 2.870 20 30 FFEDLO C[NH+](C)CC#CCNC(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902968260 736013436 /nfs/dbraw/zinc/01/34/36/736013436.db2.gz BNESASXDMAAPQN-UHFFFAOYSA-N 1 2 369.721 2.527 20 30 FFEDLO CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1cc(Br)c(F)cc1O ZINC000753932998 736107582 /nfs/dbraw/zinc/10/75/82/736107582.db2.gz ALFXUKYPEMDKHV-CHWSQXEVSA-N 1 2 369.238 2.878 20 30 FFEDLO C=CCn1c(C)nn(C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)c1=S ZINC000905675531 736380348 /nfs/dbraw/zinc/38/03/48/736380348.db2.gz GOYKEGFAZOKGFT-MJGOQNOKSA-N 1 2 356.495 2.766 20 30 FFEDLO C=CCn1c(C)nn(C[N@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)c1=S ZINC000905675531 736380350 /nfs/dbraw/zinc/38/03/50/736380350.db2.gz GOYKEGFAZOKGFT-MJGOQNOKSA-N 1 2 356.495 2.766 20 30 FFEDLO Cc1nc(SCC(=O)NCC(C)(C)n2cc[nH+]c2)c(C#N)c(C)c1C ZINC000912616500 737324804 /nfs/dbraw/zinc/32/48/04/737324804.db2.gz HWHJNLUFNYGMBB-UHFFFAOYSA-N 1 2 357.483 2.719 20 30 FFEDLO C#C[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)[C@@H]1CCCO1 ZINC000775435927 738092831 /nfs/dbraw/zinc/09/28/31/738092831.db2.gz ZBGMYOLUUKJBSA-BPUTZDHNSA-N 1 2 362.499 2.677 20 30 FFEDLO C#C[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)[C@@H]1CCCO1 ZINC000775435927 738092835 /nfs/dbraw/zinc/09/28/35/738092835.db2.gz ZBGMYOLUUKJBSA-BPUTZDHNSA-N 1 2 362.499 2.677 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2c(F)ccc(Br)c2F)CC1 ZINC000787285379 739123130 /nfs/dbraw/zinc/12/31/30/739123130.db2.gz ZIJIRRNCLUIRGV-UHFFFAOYSA-N 1 2 357.198 2.508 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000787715400 739162009 /nfs/dbraw/zinc/16/20/09/739162009.db2.gz FCXCEXPESSMNTE-KBPBESRZSA-N 1 2 365.296 2.810 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000787715400 739162012 /nfs/dbraw/zinc/16/20/12/739162012.db2.gz FCXCEXPESSMNTE-KBPBESRZSA-N 1 2 365.296 2.810 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c1 ZINC000931932006 739354993 /nfs/dbraw/zinc/35/49/93/739354993.db2.gz PUTVMMXCHIZIKY-QUCCMNQESA-N 1 2 352.459 2.605 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c1 ZINC000931932006 739354996 /nfs/dbraw/zinc/35/49/96/739354996.db2.gz PUTVMMXCHIZIKY-QUCCMNQESA-N 1 2 352.459 2.605 20 30 FFEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000932148122 739395499 /nfs/dbraw/zinc/39/54/99/739395499.db2.gz KNCUAJBSLJCGKB-SMDDNHRTSA-N 1 2 357.223 2.563 20 30 FFEDLO N#C[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000932148122 739395504 /nfs/dbraw/zinc/39/55/04/739395504.db2.gz KNCUAJBSLJCGKB-SMDDNHRTSA-N 1 2 357.223 2.563 20 30 FFEDLO CC1CC[NH+](Cc2csc(NC(=O)CN3CCC[C@H](C#N)C3)n2)CC1 ZINC000932155026 739396300 /nfs/dbraw/zinc/39/63/00/739396300.db2.gz VLRMSRFAYKRAOC-OAHLLOKOSA-N 1 2 361.515 2.549 20 30 FFEDLO N#CC1(CS(=O)(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1 ZINC000790421963 739452033 /nfs/dbraw/zinc/45/20/33/739452033.db2.gz IVORLZRJDZRWGW-UHFFFAOYSA-N 1 2 357.435 2.899 20 30 FFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H](CC#N)C(F)(F)F)CC1 ZINC000932909096 739535448 /nfs/dbraw/zinc/53/54/48/739535448.db2.gz GBMFVMNPKJEYCI-WCQYABFASA-N 1 2 360.405 2.981 20 30 FFEDLO CC(C)NC(=O)C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932946000 739542216 /nfs/dbraw/zinc/54/22/16/739542216.db2.gz KYTJWTQXNKAGIZ-YUMQZZPRSA-N 1 2 368.268 2.614 20 30 FFEDLO C[C@@]12CC[N@H+](CC(=O)NCc3cccc(C#N)c3)C[C@@H]1C2(Cl)Cl ZINC000792913003 739717911 /nfs/dbraw/zinc/71/79/11/739717911.db2.gz ZSEJDZKLMSJXDI-GOEBONIOSA-N 1 2 352.265 2.690 20 30 FFEDLO C[C@@]12CC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C[C@@H]1C2(Cl)Cl ZINC000792913003 739717916 /nfs/dbraw/zinc/71/79/16/739717916.db2.gz ZSEJDZKLMSJXDI-GOEBONIOSA-N 1 2 352.265 2.690 20 30 FFEDLO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794622857 739911678 /nfs/dbraw/zinc/91/16/78/739911678.db2.gz HDTFUKYGWRLXKK-HNNXBMFYSA-N 1 2 357.483 2.690 20 30 FFEDLO COc1ccccc1C[C@@H]1CCC[N@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794622857 739911681 /nfs/dbraw/zinc/91/16/81/739911681.db2.gz HDTFUKYGWRLXKK-HNNXBMFYSA-N 1 2 357.483 2.690 20 30 FFEDLO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cn1nc(CC#N)n(C)c1=S ZINC000794643857 739914430 /nfs/dbraw/zinc/91/44/30/739914430.db2.gz CDTBOQMXXYBUCJ-INIZCTEOSA-N 1 2 357.483 2.993 20 30 FFEDLO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cn1nc(CC#N)n(C)c1=S ZINC000794643857 739914434 /nfs/dbraw/zinc/91/44/34/739914434.db2.gz CDTBOQMXXYBUCJ-INIZCTEOSA-N 1 2 357.483 2.993 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[N@H+](CC#Cc3cccc(Cl)c3)CC2)O1 ZINC000981999976 741184699 /nfs/dbraw/zinc/18/46/99/741184699.db2.gz ABESOPZTHPLGQH-VQIMIIECSA-N 1 2 360.885 2.793 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[N@@H+](CC#Cc3cccc(Cl)c3)CC2)O1 ZINC000981999976 741184701 /nfs/dbraw/zinc/18/47/01/741184701.db2.gz ABESOPZTHPLGQH-VQIMIIECSA-N 1 2 360.885 2.793 20 30 FFEDLO C#CCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809937537 741364004 /nfs/dbraw/zinc/36/40/04/741364004.db2.gz ALGVRPUCQVAHGC-UHFFFAOYSA-N 1 2 370.236 2.863 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817571074 742170810 /nfs/dbraw/zinc/17/08/10/742170810.db2.gz MVFCVRFJQHZFAJ-HNNXBMFYSA-N 1 2 351.878 2.915 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817571074 742170811 /nfs/dbraw/zinc/17/08/11/742170811.db2.gz MVFCVRFJQHZFAJ-HNNXBMFYSA-N 1 2 351.878 2.915 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2nc(C)c(C)s2)C1 ZINC001007356597 742326494 /nfs/dbraw/zinc/32/64/94/742326494.db2.gz IVIKCPMGQYAMDF-ZACQAIPSSA-N 1 2 363.527 2.822 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2nc(C)c(C)s2)C1 ZINC001007356597 742326500 /nfs/dbraw/zinc/32/65/00/742326500.db2.gz IVIKCPMGQYAMDF-ZACQAIPSSA-N 1 2 363.527 2.822 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2nc(C)c(C)s2)C1 ZINC001007356596 742326702 /nfs/dbraw/zinc/32/67/02/742326702.db2.gz IVIKCPMGQYAMDF-BBWFWOEESA-N 1 2 363.527 2.822 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2nc(C)c(C)s2)C1 ZINC001007356596 742326706 /nfs/dbraw/zinc/32/67/06/742326706.db2.gz IVIKCPMGQYAMDF-BBWFWOEESA-N 1 2 363.527 2.822 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000819465012 742394417 /nfs/dbraw/zinc/39/44/17/742394417.db2.gz CLIGWVIVWDFWIX-OAHLLOKOSA-N 1 2 352.429 2.573 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000819465012 742394423 /nfs/dbraw/zinc/39/44/23/742394423.db2.gz CLIGWVIVWDFWIX-OAHLLOKOSA-N 1 2 352.429 2.573 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2nc(C)cs2)C1 ZINC001008796132 742404182 /nfs/dbraw/zinc/40/41/82/742404182.db2.gz UGSVENVYTZKNLA-BQFCYCMXSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2nc(C)cs2)C1 ZINC001008796132 742404184 /nfs/dbraw/zinc/40/41/84/742404184.db2.gz UGSVENVYTZKNLA-BQFCYCMXSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2nc(C)sc2C)C1 ZINC001008846573 742410820 /nfs/dbraw/zinc/41/08/20/742410820.db2.gz PBHSCVUNQSTOSL-RYRKJORJSA-N 1 2 363.527 2.822 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001008846573 742410823 /nfs/dbraw/zinc/41/08/23/742410823.db2.gz PBHSCVUNQSTOSL-RYRKJORJSA-N 1 2 363.527 2.822 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001015721337 742478459 /nfs/dbraw/zinc/47/84/59/742478459.db2.gz GPALYBYNAYTWCR-INMHGKMJSA-N 1 2 352.837 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001015721337 742478461 /nfs/dbraw/zinc/47/84/61/742478461.db2.gz GPALYBYNAYTWCR-INMHGKMJSA-N 1 2 352.837 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccnc(Cl)c1 ZINC001024660968 742732653 /nfs/dbraw/zinc/73/26/53/742732653.db2.gz UZMZZVQHRGYLQJ-ZACQAIPSSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC001024660968 742732657 /nfs/dbraw/zinc/73/26/57/742732657.db2.gz UZMZZVQHRGYLQJ-ZACQAIPSSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ncc(C)s2)C1 ZINC001027414969 742767856 /nfs/dbraw/zinc/76/78/56/742767856.db2.gz AGYGNFMSKMCQLF-ZACQAIPSSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncc(C)s2)C1 ZINC001027414969 742767859 /nfs/dbraw/zinc/76/78/59/742767859.db2.gz AGYGNFMSKMCQLF-ZACQAIPSSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001031076988 742838291 /nfs/dbraw/zinc/83/82/91/742838291.db2.gz DOVWVHGWHZRNAF-SNPRPXQTSA-N 1 2 361.313 2.742 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(Cl)s2)C1 ZINC001031678206 742841614 /nfs/dbraw/zinc/84/16/14/742841614.db2.gz DJCXDJSKIZSMSU-CABCVRRESA-N 1 2 354.903 2.931 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2ccc(F)cc2F)C1 ZINC001031989844 742854258 /nfs/dbraw/zinc/85/42/58/742854258.db2.gz BAKCRKXPAVTXQO-NJAPINKUSA-N 1 2 350.409 2.665 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)c(Cl)c1 ZINC001038714741 742978645 /nfs/dbraw/zinc/97/86/45/742978645.db2.gz UNRDTLPMSCQIPS-INMHGKMJSA-N 1 2 364.873 2.630 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)c(Cl)c1 ZINC001038714741 742978651 /nfs/dbraw/zinc/97/86/51/742978651.db2.gz UNRDTLPMSCQIPS-INMHGKMJSA-N 1 2 364.873 2.630 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C2 ZINC001045945373 743309594 /nfs/dbraw/zinc/30/95/94/743309594.db2.gz RZLCSYTXYKJOEP-MDZRGWNJSA-N 1 2 362.905 2.970 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C2 ZINC001045945373 743309601 /nfs/dbraw/zinc/30/96/01/743309601.db2.gz RZLCSYTXYKJOEP-MDZRGWNJSA-N 1 2 362.905 2.970 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001046947372 743341276 /nfs/dbraw/zinc/34/12/76/743341276.db2.gz PSQXHTHMVIFHGP-RDBSUJKOSA-N 1 2 350.837 2.627 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001046947372 743341285 /nfs/dbraw/zinc/34/12/85/743341285.db2.gz PSQXHTHMVIFHGP-RDBSUJKOSA-N 1 2 350.837 2.627 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)CO2 ZINC001053952749 745001875 /nfs/dbraw/zinc/00/18/75/745001875.db2.gz BAGYXUNCRROTBC-OKZBNKHCSA-N 1 2 360.885 2.979 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1Cc2ccccc2C[N@H+]1C/C=C/Cl ZINC001054053024 745002276 /nfs/dbraw/zinc/00/22/76/745002276.db2.gz KJNKYARIFJHXST-SXRHLJITSA-N 1 2 360.885 2.873 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1C/C=C/Cl ZINC001054053024 745002278 /nfs/dbraw/zinc/00/22/78/745002278.db2.gz KJNKYARIFJHXST-SXRHLJITSA-N 1 2 360.885 2.873 20 30 FFEDLO C[C@H]1CC[N@H+](Cc2nc(C#N)cs2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000835070454 745944642 /nfs/dbraw/zinc/94/46/42/745944642.db2.gz UUHVXHTZVNONSS-STQMWFEESA-N 1 2 350.488 2.997 20 30 FFEDLO C[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000835070454 745944643 /nfs/dbraw/zinc/94/46/43/745944643.db2.gz UUHVXHTZVNONSS-STQMWFEESA-N 1 2 350.488 2.997 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)[C@@H]1CCCO1 ZINC000839562627 746856679 /nfs/dbraw/zinc/85/66/79/746856679.db2.gz BMHHWFGXPQGZQN-OCCSQVGLSA-N 1 2 355.419 2.927 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000840734127 747168658 /nfs/dbraw/zinc/16/86/58/747168658.db2.gz DCQDLMGLVMWRRL-LLVKDONJSA-N 1 2 352.441 2.503 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000840734127 747168664 /nfs/dbraw/zinc/16/86/64/747168664.db2.gz DCQDLMGLVMWRRL-LLVKDONJSA-N 1 2 352.441 2.503 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1ccc(Cl)nc1)Cc1ccc(C#N)cc1 ZINC000851739270 749657164 /nfs/dbraw/zinc/65/71/64/749657164.db2.gz HLNZGGRIOYOODX-UHFFFAOYSA-N 1 2 358.829 2.694 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1ccc(Cl)nc1)Cc1ccc(C#N)cc1 ZINC000851739270 749657168 /nfs/dbraw/zinc/65/71/68/749657168.db2.gz HLNZGGRIOYOODX-UHFFFAOYSA-N 1 2 358.829 2.694 20 30 FFEDLO C[C@H](CO)[C@@H]1CCCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000852424390 749856559 /nfs/dbraw/zinc/85/65/59/749856559.db2.gz CJUKKLLNZQQWBK-YCPHGPKFSA-N 1 2 357.479 2.955 20 30 FFEDLO C[C@H](CO)[C@@H]1CCCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000852424390 749856563 /nfs/dbraw/zinc/85/65/63/749856563.db2.gz CJUKKLLNZQQWBK-YCPHGPKFSA-N 1 2 357.479 2.955 20 30 FFEDLO C=CCCNC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000852487828 749874759 /nfs/dbraw/zinc/87/47/59/749874759.db2.gz KIHRNCLPXKWQSZ-UHFFFAOYSA-N 1 2 357.376 2.989 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2noc(-c3cccs3)n2)cc1OC ZINC000067098126 845495453 /nfs/dbraw/zinc/49/54/53/845495453.db2.gz SBWPXVYSDCERJB-UHFFFAOYSA-N 1 2 360.395 2.652 20 30 FFEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@@H](CC(C)C)CC1=O ZINC000819745938 945279439 /nfs/dbraw/zinc/27/94/39/945279439.db2.gz VUEYFUCDUGCGNU-KRWDZBQOSA-N 1 2 368.485 2.707 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@@H](CC(C)C)CC1=O ZINC000819745938 945279445 /nfs/dbraw/zinc/27/94/45/945279445.db2.gz VUEYFUCDUGCGNU-KRWDZBQOSA-N 1 2 368.485 2.707 20 30 FFEDLO C=CC[C@@H]1CCCN(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000665448037 971475492 /nfs/dbraw/zinc/47/54/92/971475492.db2.gz UWRJDOHZFYRWFZ-QGZVFWFLSA-N 1 2 370.497 2.894 20 30 FFEDLO O=C(Cc1cn2c([nH+]1)CCCC2)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000651433520 971489596 /nfs/dbraw/zinc/48/95/96/971489596.db2.gz IMYMXQSULMIGPO-UHFFFAOYSA-N 1 2 361.367 2.949 20 30 FFEDLO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc(Br)ccc3C#N)CC[C@H]21 ZINC001141907794 971673912 /nfs/dbraw/zinc/67/39/12/971673912.db2.gz OILROSNTGMGKGC-CZUORRHYSA-N 1 2 362.271 2.763 20 30 FFEDLO CN1C(=O)CC[C@@H]2C[N@H+](Cc3cc(Br)ccc3C#N)CC[C@H]21 ZINC001141907794 971673916 /nfs/dbraw/zinc/67/39/16/971673916.db2.gz OILROSNTGMGKGC-CZUORRHYSA-N 1 2 362.271 2.763 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000194261552 971853905 /nfs/dbraw/zinc/85/39/05/971853905.db2.gz WTHCDDKCGOKFJT-ZDUSSCGKSA-N 1 2 359.401 2.691 20 30 FFEDLO N#CC1(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)CCOCC1 ZINC001116019093 1032068850 /nfs/dbraw/zinc/06/88/50/1032068850.db2.gz YGEJPEGNKKPGQP-UHFFFAOYSA-N 1 2 367.453 2.808 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)nc(C)c3)[C@@H]2C1 ZINC001075835102 972440731 /nfs/dbraw/zinc/44/07/31/972440731.db2.gz ZJPPEKQIWWGBFK-GOEBONIOSA-N 1 2 364.287 2.753 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)nc(C)c3)[C@@H]2C1 ZINC001075835102 972440735 /nfs/dbraw/zinc/44/07/35/972440735.db2.gz ZJPPEKQIWWGBFK-GOEBONIOSA-N 1 2 364.287 2.753 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)cs1 ZINC001095915126 1013259540 /nfs/dbraw/zinc/25/95/40/1013259540.db2.gz XAQITNCOZSTQHD-RYRKJORJSA-N 1 2 352.463 2.859 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)cs1 ZINC001095915126 1013259548 /nfs/dbraw/zinc/25/95/48/1013259548.db2.gz XAQITNCOZSTQHD-RYRKJORJSA-N 1 2 352.463 2.859 20 30 FFEDLO C=C(C)CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3csc(Cl)n3)C2)C1=O ZINC001276039357 1013352007 /nfs/dbraw/zinc/35/20/07/1013352007.db2.gz WXHOAIOKNIQSFO-MRXNPFEDSA-N 1 2 353.875 2.714 20 30 FFEDLO C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3csc(Cl)n3)C2)C1=O ZINC001276039357 1013351999 /nfs/dbraw/zinc/35/19/99/1013351999.db2.gz WXHOAIOKNIQSFO-MRXNPFEDSA-N 1 2 353.875 2.714 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)N[C@H](c2ccccc2)C(C)C)cc1 ZINC000054230442 962859805 /nfs/dbraw/zinc/85/98/05/962859805.db2.gz QSJMYVKVIMIYKG-IBGZPJMESA-N 1 2 355.438 2.846 20 30 FFEDLO Cc1ccc(CC(=O)N2CC[C@H]3C[N@H+](Cc4cc(F)ccc4C#N)C[C@H]32)o1 ZINC001075702407 964300000 /nfs/dbraw/zinc/30/00/00/964300000.db2.gz CVQDZGBECOLVSW-OXJNMPFZSA-N 1 2 367.424 2.874 20 30 FFEDLO Cc1ccc(CC(=O)N2CC[C@H]3C[N@@H+](Cc4cc(F)ccc4C#N)C[C@H]32)o1 ZINC001075702407 964300012 /nfs/dbraw/zinc/30/00/12/964300012.db2.gz CVQDZGBECOLVSW-OXJNMPFZSA-N 1 2 367.424 2.874 20 30 FFEDLO COc1c(F)cc(C[N@@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)cc1F ZINC001276123964 1013487159 /nfs/dbraw/zinc/48/71/59/1013487159.db2.gz FNBDZBFPDWQWRR-IBGZPJMESA-N 1 2 363.408 2.844 20 30 FFEDLO COc1c(F)cc(C[N@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)cc1F ZINC001276123964 1013487160 /nfs/dbraw/zinc/48/71/60/1013487160.db2.gz FNBDZBFPDWQWRR-IBGZPJMESA-N 1 2 363.408 2.844 20 30 FFEDLO C=CC[C@@H](C)C(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1scnc1C)CCO2 ZINC001269959843 964497639 /nfs/dbraw/zinc/49/76/39/964497639.db2.gz KYADTRDYYLDLMP-BEFAXECRSA-N 1 2 363.527 2.857 20 30 FFEDLO C=CC[C@@H](C)C(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1scnc1C)CCO2 ZINC001269959843 964497644 /nfs/dbraw/zinc/49/76/44/964497644.db2.gz KYADTRDYYLDLMP-BEFAXECRSA-N 1 2 363.527 2.857 20 30 FFEDLO C=CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)[C@H](C)COC ZINC000664555013 964661009 /nfs/dbraw/zinc/66/10/09/964661009.db2.gz MZSJEJMLXAWGTM-XWIAVFTESA-N 1 2 367.440 2.943 20 30 FFEDLO C=CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)[C@H](C)COC ZINC000664555013 964661013 /nfs/dbraw/zinc/66/10/13/964661013.db2.gz MZSJEJMLXAWGTM-XWIAVFTESA-N 1 2 367.440 2.943 20 30 FFEDLO C=C(Cc1ccccc1)C(=O)N1CC2(C1)C[NH+](Cc1scnc1C)C2 ZINC001270171321 964760886 /nfs/dbraw/zinc/76/08/86/964760886.db2.gz GVLYWMHKNPRSHQ-UHFFFAOYSA-N 1 2 353.491 2.895 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@H](C)c2noc(C)n2)cc1 ZINC001087197241 966104619 /nfs/dbraw/zinc/10/46/19/966104619.db2.gz FJIQAXWOROZTQZ-CLCXKQKWSA-N 1 2 366.465 2.951 20 30 FFEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3F)C2)C1 ZINC000972480951 967259079 /nfs/dbraw/zinc/25/90/79/967259079.db2.gz WOZYUWNJRHOVDU-SQGPQFPESA-N 1 2 362.420 2.558 20 30 FFEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3F)C2)C1 ZINC000972480951 967259092 /nfs/dbraw/zinc/25/90/92/967259092.db2.gz WOZYUWNJRHOVDU-SQGPQFPESA-N 1 2 362.420 2.558 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(CC)o2)C1 ZINC000972507821 967457236 /nfs/dbraw/zinc/45/72/36/967457236.db2.gz DJXHXEZDBSHBBL-IEZWGBDMSA-N 1 2 361.486 2.641 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(CC)o2)C1 ZINC000972507821 967457239 /nfs/dbraw/zinc/45/72/39/967457239.db2.gz DJXHXEZDBSHBBL-IEZWGBDMSA-N 1 2 361.486 2.641 20 30 FFEDLO N#Cc1ccc(C[N@H+](CCNC(=O)[C@@H]2CCO[C@H]2C2CC2)C2CC2)c(F)c1 ZINC001267329766 967904701 /nfs/dbraw/zinc/90/47/01/967904701.db2.gz QWSXFQNDZCPHKJ-QUCCMNQESA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1ccc(C[N@@H+](CCNC(=O)[C@@H]2CCO[C@H]2C2CC2)C2CC2)c(F)c1 ZINC001267329766 967904706 /nfs/dbraw/zinc/90/47/06/967904706.db2.gz QWSXFQNDZCPHKJ-QUCCMNQESA-N 1 2 371.456 2.593 20 30 FFEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)c(C)c3)C2)C1 ZINC000972585066 967909506 /nfs/dbraw/zinc/90/95/06/967909506.db2.gz GRPNEAGNWFVUCU-TUNNFDKTSA-N 1 2 354.494 2.896 20 30 FFEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)c(C)c3)C2)C1 ZINC000972585066 967909511 /nfs/dbraw/zinc/90/95/11/967909511.db2.gz GRPNEAGNWFVUCU-TUNNFDKTSA-N 1 2 354.494 2.896 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2nn(C)cc2C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087568841 968188326 /nfs/dbraw/zinc/18/83/26/968188326.db2.gz NWQGLUHPTLXPAU-ZWKOTPCHSA-N 1 2 369.444 2.522 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2nn(C)cc2C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087568841 968188331 /nfs/dbraw/zinc/18/83/31/968188331.db2.gz NWQGLUHPTLXPAU-ZWKOTPCHSA-N 1 2 369.444 2.522 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=C)Br)[C@@H]1CC ZINC001087576761 968223367 /nfs/dbraw/zinc/22/33/67/968223367.db2.gz BBXSIOMXQCNCOK-QXSJWSMHSA-N 1 2 371.319 2.845 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=C)Br)[C@@H]1CC ZINC001087576761 968223376 /nfs/dbraw/zinc/22/33/76/968223376.db2.gz BBXSIOMXQCNCOK-QXSJWSMHSA-N 1 2 371.319 2.845 20 30 FFEDLO CCOc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2CC)on1 ZINC001087660588 968536709 /nfs/dbraw/zinc/53/67/09/968536709.db2.gz SJOAZOPYNAMHDR-DLBZAZTESA-N 1 2 368.437 2.728 20 30 FFEDLO CCOc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2CC)on1 ZINC001087660588 968536713 /nfs/dbraw/zinc/53/67/13/968536713.db2.gz SJOAZOPYNAMHDR-DLBZAZTESA-N 1 2 368.437 2.728 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)CC1(C)CC1 ZINC001213183044 968611147 /nfs/dbraw/zinc/61/11/47/968611147.db2.gz GWWKHMVDOJCDFD-QZTJIDSGSA-N 1 2 360.885 2.697 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)CC1(C)CC1 ZINC001213183044 968611153 /nfs/dbraw/zinc/61/11/53/968611153.db2.gz GWWKHMVDOJCDFD-QZTJIDSGSA-N 1 2 360.885 2.697 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)s3)[C@@H]2CC)c1 ZINC001087718875 968718258 /nfs/dbraw/zinc/71/82/58/968718258.db2.gz NONJDWDZDFCLAE-DLBZAZTESA-N 1 2 354.479 2.611 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)s3)[C@@H]2CC)c1 ZINC001087718875 968718269 /nfs/dbraw/zinc/71/82/69/968718269.db2.gz NONJDWDZDFCLAE-DLBZAZTESA-N 1 2 354.479 2.611 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cnn(CCC)c2)[C@H]1CC ZINC001087745971 968867233 /nfs/dbraw/zinc/86/72/33/968867233.db2.gz YMDXBERQKNLMBM-LSDHHAIUSA-N 1 2 369.307 2.784 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cnn(CCC)c2)[C@H]1CC ZINC001087745971 968867239 /nfs/dbraw/zinc/86/72/39/968867239.db2.gz YMDXBERQKNLMBM-LSDHHAIUSA-N 1 2 369.307 2.784 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cc2cscn2)[C@H]1CC ZINC001087750801 968895525 /nfs/dbraw/zinc/89/55/25/968895525.db2.gz FXXHFLDIHZIXLQ-QWHCGFSZSA-N 1 2 358.305 2.563 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cc2cscn2)[C@H]1CC ZINC001087750801 968895537 /nfs/dbraw/zinc/89/55/37/968895537.db2.gz FXXHFLDIHZIXLQ-QWHCGFSZSA-N 1 2 358.305 2.563 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)[C@H]1CC ZINC001087758086 968929441 /nfs/dbraw/zinc/92/94/41/968929441.db2.gz AAJNJSWLSHUPCD-JONQDZQNSA-N 1 2 371.319 2.845 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)[C@H]1CC ZINC001087758086 968929446 /nfs/dbraw/zinc/92/94/46/968929446.db2.gz AAJNJSWLSHUPCD-JONQDZQNSA-N 1 2 371.319 2.845 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3coc(C4CC4)n3)[C@@H]2CC)cn1 ZINC001087801409 969127177 /nfs/dbraw/zinc/12/71/77/969127177.db2.gz NGFIKKIJKAAJJL-RBUKOAKNSA-N 1 2 364.449 2.711 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3coc(C4CC4)n3)[C@@H]2CC)cn1 ZINC001087801409 969127184 /nfs/dbraw/zinc/12/71/84/969127184.db2.gz NGFIKKIJKAAJJL-RBUKOAKNSA-N 1 2 364.449 2.711 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001024661338 969236247 /nfs/dbraw/zinc/23/62/47/969236247.db2.gz CJKOKGBTVJXTFY-NSHGMRRFSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001024661338 969236252 /nfs/dbraw/zinc/23/62/52/969236252.db2.gz CJKOKGBTVJXTFY-NSHGMRRFSA-N 1 2 371.456 2.759 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cc(C#N)ccc2F)O1 ZINC001024659693 969241189 /nfs/dbraw/zinc/24/11/89/969241189.db2.gz HAIJUFYVRGTOEP-LSBZLQRGSA-N 1 2 359.445 2.736 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2cc(C#N)ccc2F)O1 ZINC001024659693 969241199 /nfs/dbraw/zinc/24/11/99/969241199.db2.gz HAIJUFYVRGTOEP-LSBZLQRGSA-N 1 2 359.445 2.736 20 30 FFEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000874705844 1013877909 /nfs/dbraw/zinc/87/79/09/1013877909.db2.gz HGAHILVPNANCNP-QGZVFWFLSA-N 1 2 368.481 2.786 20 30 FFEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000874705844 1013877917 /nfs/dbraw/zinc/87/79/17/1013877917.db2.gz HGAHILVPNANCNP-QGZVFWFLSA-N 1 2 368.481 2.786 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000984459687 970535610 /nfs/dbraw/zinc/53/56/10/970535610.db2.gz QWGJQFMMNNWMLJ-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000984459687 970535615 /nfs/dbraw/zinc/53/56/15/970535615.db2.gz QWGJQFMMNNWMLJ-BZUAXINKSA-N 1 2 358.486 2.565 20 30 FFEDLO CN(CCCN(C)c1cccc(F)c1C#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001112178649 973340248 /nfs/dbraw/zinc/34/02/48/973340248.db2.gz XBCJQGIWVJNINM-HUUCEWRRSA-N 1 2 369.444 2.519 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncc(CC)o1 ZINC000960927594 1014109532 /nfs/dbraw/zinc/10/95/32/1014109532.db2.gz MIFDIGPOPNHDDJ-IEZWGBDMSA-N 1 2 361.486 2.641 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncc(CC)o1 ZINC000960927594 1014109537 /nfs/dbraw/zinc/10/95/37/1014109537.db2.gz MIFDIGPOPNHDDJ-IEZWGBDMSA-N 1 2 361.486 2.641 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cc(CC)[nH+]c(C)n1 ZINC001059513567 973432916 /nfs/dbraw/zinc/43/29/16/973432916.db2.gz RUBHAEWAXYLOII-TZOQOTQKSA-N 1 2 370.497 2.555 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C2=COCCO2)C1 ZINC001087420635 974504522 /nfs/dbraw/zinc/50/45/22/974504522.db2.gz NSECIMYELJBRHC-IAGOWNOFSA-N 1 2 362.857 2.601 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C2=COCCO2)C1 ZINC001087420635 974504528 /nfs/dbraw/zinc/50/45/28/974504528.db2.gz NSECIMYELJBRHC-IAGOWNOFSA-N 1 2 362.857 2.601 20 30 FFEDLO Cc1nc(NC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C)ccc1C#N ZINC001126136151 974765653 /nfs/dbraw/zinc/76/56/53/974765653.db2.gz QEHCDGLGMWNFLI-INMHGKMJSA-N 1 2 366.469 2.731 20 30 FFEDLO Cc1nc(NC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C)ccc1C#N ZINC001126136151 974765657 /nfs/dbraw/zinc/76/56/57/974765657.db2.gz QEHCDGLGMWNFLI-INMHGKMJSA-N 1 2 366.469 2.731 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001027584563 974928115 /nfs/dbraw/zinc/92/81/15/974928115.db2.gz OQODXJSTAVKIFS-ZACQAIPSSA-N 1 2 359.470 2.566 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001027584563 974928119 /nfs/dbraw/zinc/92/81/19/974928119.db2.gz OQODXJSTAVKIFS-ZACQAIPSSA-N 1 2 359.470 2.566 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2cc(C)on2)C1 ZINC001027608191 975017827 /nfs/dbraw/zinc/01/78/27/975017827.db2.gz OLBQOGNPQTVFOM-FHWLQOOXSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(C)on2)C1 ZINC001027608191 975017832 /nfs/dbraw/zinc/01/78/32/975017832.db2.gz OLBQOGNPQTVFOM-FHWLQOOXSA-N 1 2 361.486 2.777 20 30 FFEDLO COCc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)o1 ZINC001088725834 975627683 /nfs/dbraw/zinc/62/76/83/975627683.db2.gz DBIYWVZIUYHAEA-ACJLOTCBSA-N 1 2 371.412 2.830 20 30 FFEDLO COCc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)o1 ZINC001088725834 975627688 /nfs/dbraw/zinc/62/76/88/975627688.db2.gz DBIYWVZIUYHAEA-ACJLOTCBSA-N 1 2 371.412 2.830 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ncoc1C(C)C ZINC001027890845 975702686 /nfs/dbraw/zinc/70/26/86/975702686.db2.gz KPRKEVBKVKMQJG-NUJGCVRESA-N 1 2 361.486 2.860 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ncoc1C(C)C ZINC001027890845 975702696 /nfs/dbraw/zinc/70/26/96/975702696.db2.gz KPRKEVBKVKMQJG-NUJGCVRESA-N 1 2 361.486 2.860 20 30 FFEDLO CC[C@@H](CC#N)[NH2+]Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000893606134 975896816 /nfs/dbraw/zinc/89/68/16/975896816.db2.gz NCHRKQPGWUASJN-GJZGRUSLSA-N 1 2 362.478 2.632 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)c(C)nn1 ZINC001088770264 976072054 /nfs/dbraw/zinc/07/20/54/976072054.db2.gz FTEFKCJUUOIVFM-QRWLVFNGSA-N 1 2 363.465 2.612 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)c(C)nn1 ZINC001088770264 976072066 /nfs/dbraw/zinc/07/20/66/976072066.db2.gz FTEFKCJUUOIVFM-QRWLVFNGSA-N 1 2 363.465 2.612 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC3(C)C)[C@H]2C)c1 ZINC001088803372 976436953 /nfs/dbraw/zinc/43/69/53/976436953.db2.gz HDCBNILTKJRNDY-MNEFBYGVSA-N 1 2 367.493 2.622 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC3(C)C)[C@H]2C)c1 ZINC001088803372 976436960 /nfs/dbraw/zinc/43/69/60/976436960.db2.gz HDCBNILTKJRNDY-MNEFBYGVSA-N 1 2 367.493 2.622 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC000981607552 976646019 /nfs/dbraw/zinc/64/60/19/976646019.db2.gz BBLJXVBUHBIURU-LEWJYISDSA-N 1 2 367.493 2.655 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC000981607552 976646026 /nfs/dbraw/zinc/64/60/26/976646026.db2.gz BBLJXVBUHBIURU-LEWJYISDSA-N 1 2 367.493 2.655 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(N4CCCC4)ccn3)[C@@H]2C1 ZINC001076002895 976719958 /nfs/dbraw/zinc/71/99/58/976719958.db2.gz HTEUGAOPPFNUSL-MAUKXSAKSA-N 1 2 360.889 2.581 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(N4CCCC4)ccn3)[C@@H]2C1 ZINC001076002895 976719967 /nfs/dbraw/zinc/71/99/67/976719967.db2.gz HTEUGAOPPFNUSL-MAUKXSAKSA-N 1 2 360.889 2.581 20 30 FFEDLO O=C(c1ncc(Cl)s1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076031994 977457884 /nfs/dbraw/zinc/45/78/84/977457884.db2.gz DJLHGCUOZIGEGE-JKSUJKDBSA-N 1 2 371.893 2.995 20 30 FFEDLO O=C(c1ncc(Cl)s1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076031994 977457891 /nfs/dbraw/zinc/45/78/91/977457891.db2.gz DJLHGCUOZIGEGE-JKSUJKDBSA-N 1 2 371.893 2.995 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCc2noc(-c3cccs3)n2)cc1OC ZINC000067099202 977688163 /nfs/dbraw/zinc/68/81/63/977688163.db2.gz MDCFWBLAVFOUAD-UHFFFAOYSA-N 1 2 374.422 2.847 20 30 FFEDLO Cc1nc(C)c(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)o1 ZINC001075643627 977895320 /nfs/dbraw/zinc/89/53/20/977895320.db2.gz FVEXFQLWGRMXRM-FUHWJXTLSA-N 1 2 368.412 2.649 20 30 FFEDLO Cc1nc(C)c(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)o1 ZINC001075643627 977895324 /nfs/dbraw/zinc/89/53/24/977895324.db2.gz FVEXFQLWGRMXRM-FUHWJXTLSA-N 1 2 368.412 2.649 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C(C)C)cn3)[C@@H]2C1 ZINC001076087281 979096131 /nfs/dbraw/zinc/09/61/31/979096131.db2.gz NMBJRQRIZCAGDY-DZGCQCFKSA-N 1 2 367.291 2.519 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C(C)C)cn3)[C@@H]2C1 ZINC001076087281 979096143 /nfs/dbraw/zinc/09/61/43/979096143.db2.gz NMBJRQRIZCAGDY-DZGCQCFKSA-N 1 2 367.291 2.519 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001060098227 979098024 /nfs/dbraw/zinc/09/80/24/979098024.db2.gz WGDXTYCDJPTTBR-AOIWGVFYSA-N 1 2 358.486 2.807 20 30 FFEDLO CCc1ncoc1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001076220700 979240752 /nfs/dbraw/zinc/24/07/52/979240752.db2.gz NYCIBIOZTQPNGI-KBXCAEBGSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1ncoc1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001076220700 979240761 /nfs/dbraw/zinc/24/07/61/979240761.db2.gz NYCIBIOZTQPNGI-KBXCAEBGSA-N 1 2 368.412 2.594 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(C(C)C)c3)[C@@H]2C1 ZINC001076450510 979506699 /nfs/dbraw/zinc/50/66/99/979506699.db2.gz ARNVQAZZOLSTPL-DZGCQCFKSA-N 1 2 367.291 2.519 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(C(C)C)c3)[C@@H]2C1 ZINC001076450510 979506706 /nfs/dbraw/zinc/50/67/06/979506706.db2.gz ARNVQAZZOLSTPL-DZGCQCFKSA-N 1 2 367.291 2.519 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(CCCC)c3C)[C@@H]2C1 ZINC001076445706 979518418 /nfs/dbraw/zinc/51/84/18/979518418.db2.gz HXNDBDKXWHZUDH-DOTOQJQBSA-N 1 2 350.894 2.890 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(CCCC)c3C)[C@@H]2C1 ZINC001076445706 979518423 /nfs/dbraw/zinc/51/84/23/979518423.db2.gz HXNDBDKXWHZUDH-DOTOQJQBSA-N 1 2 350.894 2.890 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(Br)o3)[C@@H]2C1 ZINC001076495307 979562914 /nfs/dbraw/zinc/56/29/14/979562914.db2.gz DNLWLEVIPZCTHX-WDEREUQCSA-N 1 2 359.651 2.941 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(Br)o3)[C@@H]2C1 ZINC001076495307 979562923 /nfs/dbraw/zinc/56/29/23/979562923.db2.gz DNLWLEVIPZCTHX-WDEREUQCSA-N 1 2 359.651 2.941 20 30 FFEDLO Cc1nc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)sc1C ZINC001076586394 979693704 /nfs/dbraw/zinc/69/37/04/979693704.db2.gz VOLYCDCIEYNBJZ-ZWKOTPCHSA-N 1 2 366.490 2.978 20 30 FFEDLO Cc1nc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)sc1C ZINC001076586394 979693708 /nfs/dbraw/zinc/69/37/08/979693708.db2.gz VOLYCDCIEYNBJZ-ZWKOTPCHSA-N 1 2 366.490 2.978 20 30 FFEDLO Cc1ocnc1C(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)[C@@H]1C ZINC001088486712 979864085 /nfs/dbraw/zinc/86/40/85/979864085.db2.gz ZOZVNEXNUIQFLE-DYVFJYSZSA-N 1 2 357.841 2.881 20 30 FFEDLO Cc1ocnc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H]1C ZINC001088486712 979864090 /nfs/dbraw/zinc/86/40/90/979864090.db2.gz ZOZVNEXNUIQFLE-DYVFJYSZSA-N 1 2 357.841 2.881 20 30 FFEDLO Cc1ccccc1[C@H](O)C1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000796431805 1014616267 /nfs/dbraw/zinc/61/62/67/1014616267.db2.gz RZRVIQHIJPVQRU-LEWJYISDSA-N 1 2 363.461 2.839 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000963443276 1014634302 /nfs/dbraw/zinc/63/43/02/1014634302.db2.gz MGJIWJIPKNBMSQ-JOCBIADPSA-N 1 2 370.497 2.707 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000963443276 1014634307 /nfs/dbraw/zinc/63/43/07/1014634307.db2.gz MGJIWJIPKNBMSQ-JOCBIADPSA-N 1 2 370.497 2.707 20 30 FFEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000668428434 980356291 /nfs/dbraw/zinc/35/62/91/980356291.db2.gz AWGPVGOMJDZPSB-QGZVFWFLSA-N 1 2 370.497 2.503 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2csc([C@H]3CCCO3)n2)[C@H]1C ZINC001088566378 981142194 /nfs/dbraw/zinc/14/21/94/981142194.db2.gz LRXXOGWRBFLRBH-MBNYWOFBSA-N 1 2 355.891 2.940 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2csc([C@H]3CCCO3)n2)[C@H]1C ZINC001088566378 981142197 /nfs/dbraw/zinc/14/21/97/981142197.db2.gz LRXXOGWRBFLRBH-MBNYWOFBSA-N 1 2 355.891 2.940 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc3cccnc3n2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088582702 981299856 /nfs/dbraw/zinc/29/98/56/981299856.db2.gz DNSMGOKYNWJAEB-BEFAXECRSA-N 1 2 371.444 2.894 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccc3cccnc3n2)CC[N@H+]1Cc1ccccc1C#N ZINC001088582702 981299862 /nfs/dbraw/zinc/29/98/62/981299862.db2.gz DNSMGOKYNWJAEB-BEFAXECRSA-N 1 2 371.444 2.894 20 30 FFEDLO N#Cc1ccc(OC2CCN(C(=O)CNc3cccc[nH+]3)CC2)c(F)c1 ZINC000908162969 981369730 /nfs/dbraw/zinc/36/97/30/981369730.db2.gz XKSGRGOWUSUMGJ-UHFFFAOYSA-N 1 2 354.385 2.574 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)oc2C)C[C@H]1OC ZINC001212022098 981457558 /nfs/dbraw/zinc/45/75/58/981457558.db2.gz AICIPALOVVZUGF-RTBURBONSA-N 1 2 369.465 2.932 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccccc3)oc2C)C[C@H]1OC ZINC001212022098 981457560 /nfs/dbraw/zinc/45/75/60/981457560.db2.gz AICIPALOVVZUGF-RTBURBONSA-N 1 2 369.465 2.932 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnc(C3CC3)o2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088629291 982020078 /nfs/dbraw/zinc/02/00/78/982020078.db2.gz PVCUUSWKPVSRPB-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cnc(C3CC3)o2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088629291 982020084 /nfs/dbraw/zinc/02/00/84/982020084.db2.gz PVCUUSWKPVSRPB-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)c2onc(C)c2C)[C@H]1C ZINC001088648721 982147567 /nfs/dbraw/zinc/14/75/67/982147567.db2.gz ZBWCBCKAOANSGC-PBHICJAKSA-N 1 2 368.437 2.565 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)c2onc(C)c2C)[C@H]1C ZINC001088648721 982147572 /nfs/dbraw/zinc/14/75/72/982147572.db2.gz ZBWCBCKAOANSGC-PBHICJAKSA-N 1 2 368.437 2.565 20 30 FFEDLO CC(C)(C)OC(=O)Nc1cnc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)cn1 ZINC000897599145 982380080 /nfs/dbraw/zinc/38/00/80/982380080.db2.gz CRMCUDIICLYGQE-UHFFFAOYSA-N 1 2 374.441 2.661 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C)CC1 ZINC000989731479 982818318 /nfs/dbraw/zinc/81/83/18/982818318.db2.gz IOHIWOQLLHQCBD-JZXOWHBKSA-N 1 2 358.486 2.686 20 30 FFEDLO CC(C)OCc1cccc(CNC(=O)CO[NH+]=C(N)Cc2ccccc2)c1 ZINC000151212325 984216016 /nfs/dbraw/zinc/21/60/16/984216016.db2.gz RROAWYFTRZXMNN-UHFFFAOYSA-N 1 2 369.465 2.759 20 30 FFEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncnn1CC(C)C)CC2 ZINC001107327229 984456040 /nfs/dbraw/zinc/45/60/40/984456040.db2.gz SVFHWLRFZURVIA-YLJYHZDGSA-N 1 2 359.518 2.761 20 30 FFEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncnn1CC(C)C)CC2 ZINC001107327229 984456041 /nfs/dbraw/zinc/45/60/41/984456041.db2.gz SVFHWLRFZURVIA-YLJYHZDGSA-N 1 2 359.518 2.761 20 30 FFEDLO Cc1ccc(C#N)cc1NC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000878488424 1015066977 /nfs/dbraw/zinc/06/69/77/1015066977.db2.gz GDFABMIJYABMJX-UHFFFAOYSA-N 1 2 372.469 2.794 20 30 FFEDLO NC(=NOC/C=C/c1ccccc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000060197328 984879269 /nfs/dbraw/zinc/87/92/69/984879269.db2.gz ITCXBODGINXYPR-WEVVVXLNSA-N 1 2 351.450 2.869 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2O)C1 ZINC001077645670 984912920 /nfs/dbraw/zinc/91/29/20/984912920.db2.gz RFGSQJSFEJCGFK-HZPDHXFCSA-N 1 2 368.399 2.723 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2O)C1 ZINC001077645670 984912926 /nfs/dbraw/zinc/91/29/26/984912926.db2.gz RFGSQJSFEJCGFK-HZPDHXFCSA-N 1 2 368.399 2.723 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(F)c2F)[C@@H]1C ZINC001088867966 985166663 /nfs/dbraw/zinc/16/66/63/985166663.db2.gz CCLYOADKYNBUSS-IRWJRLHMSA-N 1 2 350.409 2.635 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)c2F)[C@@H]1C ZINC001088867966 985166667 /nfs/dbraw/zinc/16/66/67/985166667.db2.gz CCLYOADKYNBUSS-IRWJRLHMSA-N 1 2 350.409 2.635 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000172772319 985672699 /nfs/dbraw/zinc/67/26/99/985672699.db2.gz LCGQDKZTKFDSBU-LJQANCHMSA-N 1 2 362.433 2.706 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CC3(C2)CCOCC3)[C@H]1C ZINC001088979755 985728892 /nfs/dbraw/zinc/72/88/92/985728892.db2.gz DDRILVRHWMGXHP-HIFRSBDPSA-N 1 2 371.319 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)CCOCC3)[C@H]1C ZINC001088979755 985728898 /nfs/dbraw/zinc/72/88/98/985728898.db2.gz DDRILVRHWMGXHP-HIFRSBDPSA-N 1 2 371.319 2.681 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001089031737 986018791 /nfs/dbraw/zinc/01/87/91/986018791.db2.gz ATEVMWCFFWZDRW-DYVFJYSZSA-N 1 2 370.428 2.949 20 30 FFEDLO CCc1onc(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001089031737 986018799 /nfs/dbraw/zinc/01/87/99/986018799.db2.gz ATEVMWCFFWZDRW-DYVFJYSZSA-N 1 2 370.428 2.949 20 30 FFEDLO CO[C@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])C(C)(C)C ZINC000174037312 986062225 /nfs/dbraw/zinc/06/22/25/986062225.db2.gz LSQMCSZTJHZHEK-MRXNPFEDSA-N 1 2 356.470 2.707 20 30 FFEDLO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@H+](Cc3coc(C)n3)[C@@H]2C)cc1 ZINC001089064923 986150506 /nfs/dbraw/zinc/15/05/06/986150506.db2.gz CSDBPHQOZDWFBS-QRWLVFNGSA-N 1 2 369.465 2.870 20 30 FFEDLO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@@H+](Cc3coc(C)n3)[C@@H]2C)cc1 ZINC001089064923 986150510 /nfs/dbraw/zinc/15/05/10/986150510.db2.gz CSDBPHQOZDWFBS-QRWLVFNGSA-N 1 2 369.465 2.870 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000878774778 1015211712 /nfs/dbraw/zinc/21/17/12/1015211712.db2.gz VBUQLLYSAPIHKJ-OKZBNKHCSA-N 1 2 369.513 2.532 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC001108027060 986959424 /nfs/dbraw/zinc/95/94/24/986959424.db2.gz LRTAHISSVVFSII-HLLBOEOZSA-N 1 2 360.420 2.586 20 30 FFEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC001108027060 986959432 /nfs/dbraw/zinc/95/94/32/986959432.db2.gz LRTAHISSVVFSII-HLLBOEOZSA-N 1 2 360.420 2.586 20 30 FFEDLO CC(C)c1ccc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)cc1 ZINC001078064246 986962951 /nfs/dbraw/zinc/96/29/51/986962951.db2.gz AYPCMNMJWFLQJV-FGZHOGPDSA-N 1 2 362.473 2.637 20 30 FFEDLO CC(C)c1ccc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)cc1 ZINC001078064246 986962953 /nfs/dbraw/zinc/96/29/53/986962953.db2.gz AYPCMNMJWFLQJV-FGZHOGPDSA-N 1 2 362.473 2.637 20 30 FFEDLO C=CCCC[C@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)c1ccccc1 ZINC000878927466 1015285774 /nfs/dbraw/zinc/28/57/74/1015285774.db2.gz WUNUWVWGGXYFET-FQEVSTJZSA-N 1 2 367.497 2.562 20 30 FFEDLO Cc1cccn2cc(CC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)[nH+]c12 ZINC000762309729 988296813 /nfs/dbraw/zinc/29/68/13/988296813.db2.gz JGYLIAYTFCEXCM-LJQANCHMSA-N 1 2 360.417 2.657 20 30 FFEDLO N#Cc1cccc(OC2CC[NH+](Cn3cnc(-c4ccccn4)n3)CC2)c1 ZINC000762494490 988411216 /nfs/dbraw/zinc/41/12/16/988411216.db2.gz CNESLTBHBUYHNQ-UHFFFAOYSA-N 1 2 360.421 2.713 20 30 FFEDLO Cc1cc(C)c(CCNC(=O)CO[NH+]=C(N)c2ccc(F)cc2)c(C)c1 ZINC000762664380 988572198 /nfs/dbraw/zinc/57/21/98/988572198.db2.gz KNXLNJSZLRTEAZ-UHFFFAOYSA-N 1 2 357.429 2.747 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108065894 988659078 /nfs/dbraw/zinc/65/90/78/988659078.db2.gz DJORBYDEDGLPSQ-WOIUINJBSA-N 1 2 369.509 2.948 20 30 FFEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108065894 988659085 /nfs/dbraw/zinc/65/90/85/988659085.db2.gz DJORBYDEDGLPSQ-WOIUINJBSA-N 1 2 369.509 2.948 20 30 FFEDLO CCCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001212208810 989072540 /nfs/dbraw/zinc/07/25/40/989072540.db2.gz DJOYYWBPSXJNOG-NIKGAXFTSA-N 1 2 361.461 2.839 20 30 FFEDLO CCCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001212208810 989072547 /nfs/dbraw/zinc/07/25/47/989072547.db2.gz DJOYYWBPSXJNOG-NIKGAXFTSA-N 1 2 361.461 2.839 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCc2nc(-c3ccccc3F)no2)cc1 ZINC000186772124 989200691 /nfs/dbraw/zinc/20/06/91/989200691.db2.gz ZTKDPPMGLNRENV-UHFFFAOYSA-N 1 2 356.357 2.916 20 30 FFEDLO Cc1ccc(C#N)c(NC2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)n1 ZINC001060633415 989541607 /nfs/dbraw/zinc/54/16/07/989541607.db2.gz WGLJZZUBQSMXSV-BHUNQDJPSA-N 1 2 364.453 2.628 20 30 FFEDLO Cc1ccc(C#N)c(NC2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)n1 ZINC001060633415 989541615 /nfs/dbraw/zinc/54/16/15/989541615.db2.gz WGLJZZUBQSMXSV-BHUNQDJPSA-N 1 2 364.453 2.628 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001033495961 989624294 /nfs/dbraw/zinc/62/42/94/989624294.db2.gz DGHOICUREAMFFA-AOIWGVFYSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001033495961 989624300 /nfs/dbraw/zinc/62/43/00/989624300.db2.gz DGHOICUREAMFFA-AOIWGVFYSA-N 1 2 361.486 2.695 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001033498222 989628982 /nfs/dbraw/zinc/62/89/82/989628982.db2.gz VGHWANVYLMIVPU-LNLFQRSKSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001033498222 989628984 /nfs/dbraw/zinc/62/89/84/989628984.db2.gz VGHWANVYLMIVPU-LNLFQRSKSA-N 1 2 364.436 2.979 20 30 FFEDLO COC[C@@]1(C(=O)OC(C)(C)C)C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000879359981 1015497643 /nfs/dbraw/zinc/49/76/43/1015497643.db2.gz OCULSBBOYQZSAJ-MGPUTAFESA-N 1 2 360.454 2.678 20 30 FFEDLO COC[C@@]1(C(=O)OC(C)(C)C)C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000879359981 1015497647 /nfs/dbraw/zinc/49/76/47/1015497647.db2.gz OCULSBBOYQZSAJ-MGPUTAFESA-N 1 2 360.454 2.678 20 30 FFEDLO C[C@@H](CCCCNc1ccc(C#N)nc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001090169680 989839048 /nfs/dbraw/zinc/83/90/48/989839048.db2.gz SZALLFQKYOPRTR-IAOVAPTHSA-N 1 2 352.442 2.567 20 30 FFEDLO C[C@@H](CCCCNc1ccc(C#N)nc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001090169680 989839056 /nfs/dbraw/zinc/83/90/56/989839056.db2.gz SZALLFQKYOPRTR-IAOVAPTHSA-N 1 2 352.442 2.567 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3cc(F)ccc3C#N)C2)O1 ZINC001034405569 990060838 /nfs/dbraw/zinc/06/08/38/990060838.db2.gz FUHUCUIYHQCFQP-NIKGAXFTSA-N 1 2 359.445 2.736 20 30 FFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3cc(F)ccc3C#N)C2)O1 ZINC001034405569 990060844 /nfs/dbraw/zinc/06/08/44/990060844.db2.gz FUHUCUIYHQCFQP-NIKGAXFTSA-N 1 2 359.445 2.736 20 30 FFEDLO CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C[C@H](C)n2cc[nH+]c2)C1=O ZINC000917364408 990202602 /nfs/dbraw/zinc/20/26/02/990202602.db2.gz GALVLCIYVLFNAO-KSSFIOAISA-N 1 2 363.462 2.536 20 30 FFEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2CN(C(=O)Cc2[nH]c[nH+]c2C)C3)CC1 ZINC001008247310 1015549633 /nfs/dbraw/zinc/54/96/33/1015549633.db2.gz JJXUQYVTZLPNAY-UWJYYQICSA-N 1 2 370.497 2.504 20 30 FFEDLO N#CC1(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCCC1 ZINC000130157974 990481750 /nfs/dbraw/zinc/48/17/50/990481750.db2.gz CHDFZDHRIPGXKA-UHFFFAOYSA-N 1 2 356.426 2.902 20 30 FFEDLO N#CC1(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCCC1 ZINC000130157974 990481758 /nfs/dbraw/zinc/48/17/58/990481758.db2.gz CHDFZDHRIPGXKA-UHFFFAOYSA-N 1 2 356.426 2.902 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000504345602 990567226 /nfs/dbraw/zinc/56/72/26/990567226.db2.gz MYHRNXRKFCJQCU-KRWDZBQOSA-N 1 2 366.465 2.883 20 30 FFEDLO C#Cc1cccc(NC(=O)C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3CC)CC2)c1 ZINC001006026027 991029027 /nfs/dbraw/zinc/02/90/27/991029027.db2.gz RXODMILCCUXHFS-YLJYHZDGSA-N 1 2 367.493 2.575 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NC(=O)Cc2c3ccc(C)cc3oc2C(C)=O)C1 ZINC000923560306 991249016 /nfs/dbraw/zinc/24/90/16/991249016.db2.gz SFZYSNYVBGWYTG-INIZCTEOSA-N 1 2 352.434 2.700 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2c3ccc(C)cc3oc2C(C)=O)C1 ZINC000923560306 991249024 /nfs/dbraw/zinc/24/90/24/991249024.db2.gz SFZYSNYVBGWYTG-INIZCTEOSA-N 1 2 352.434 2.700 20 30 FFEDLO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000615787910 991367385 /nfs/dbraw/zinc/36/73/85/991367385.db2.gz OOGCQZCKLDCWAF-GFCCVEGCSA-N 1 2 366.812 2.795 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212321205 991672302 /nfs/dbraw/zinc/67/23/02/991672302.db2.gz WESCEGSOAGOPLW-NHCUHLMSSA-N 1 2 352.478 2.622 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212321205 991672309 /nfs/dbraw/zinc/67/23/09/991672309.db2.gz WESCEGSOAGOPLW-NHCUHLMSSA-N 1 2 352.478 2.622 20 30 FFEDLO C#C[C@H](NC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1)C1CCOCC1 ZINC000879718310 1015653860 /nfs/dbraw/zinc/65/38/60/1015653860.db2.gz FKOGURDQTJIDEG-SFHVURJKSA-N 1 2 352.438 2.851 20 30 FFEDLO CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN(c2cccc(F)c2C#N)CC1 ZINC001065118169 991761649 /nfs/dbraw/zinc/76/16/49/991761649.db2.gz FZBWUJFWMAUXAI-ZIAGYGMSSA-N 1 2 367.428 2.699 20 30 FFEDLO CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN(c2cccc(F)c2C#N)CC1 ZINC001065118169 991761657 /nfs/dbraw/zinc/76/16/57/991761657.db2.gz FZBWUJFWMAUXAI-ZIAGYGMSSA-N 1 2 367.428 2.699 20 30 FFEDLO COc1ccc([C@H]2COCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)cc1 ZINC000879736045 1015659142 /nfs/dbraw/zinc/65/91/42/1015659142.db2.gz IAFSQGBPXVZUQC-HXUWFJFHSA-N 1 2 365.433 2.969 20 30 FFEDLO COc1ccc([C@H]2COCC[N@H+]2CCC(=O)Nc2ccccc2C#N)cc1 ZINC000879736045 1015659147 /nfs/dbraw/zinc/65/91/47/1015659147.db2.gz IAFSQGBPXVZUQC-HXUWFJFHSA-N 1 2 365.433 2.969 20 30 FFEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001008597755 1015675577 /nfs/dbraw/zinc/67/55/77/1015675577.db2.gz JZSOBRJYPDEADL-WTGUMLROSA-N 1 2 372.896 2.840 20 30 FFEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001008597755 1015675580 /nfs/dbraw/zinc/67/55/80/1015675580.db2.gz JZSOBRJYPDEADL-WTGUMLROSA-N 1 2 372.896 2.840 20 30 FFEDLO Cc1ncsc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001079450707 992101167 /nfs/dbraw/zinc/10/11/67/992101167.db2.gz QVNVLNFYFSXIKS-BDJLRTHQSA-N 1 2 358.442 2.713 20 30 FFEDLO Cc1ncsc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001079450707 992101172 /nfs/dbraw/zinc/10/11/72/992101172.db2.gz QVNVLNFYFSXIKS-BDJLRTHQSA-N 1 2 358.442 2.713 20 30 FFEDLO Cc1ocnc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC001079471660 992135324 /nfs/dbraw/zinc/13/53/24/992135324.db2.gz MNEZAIBLBZOHMF-CXAGYDPISA-N 1 2 357.841 2.738 20 30 FFEDLO Cc1ocnc1C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC001079471660 992135331 /nfs/dbraw/zinc/13/53/31/992135331.db2.gz MNEZAIBLBZOHMF-CXAGYDPISA-N 1 2 357.841 2.738 20 30 FFEDLO CC[C@H]1c2ccsc2CCN1C(=O)CO[NH+]=C(N)c1ccc(OC)cc1 ZINC000182973482 992331659 /nfs/dbraw/zinc/33/16/59/992331659.db2.gz URVUQFPBWGTZJC-INIZCTEOSA-N 1 2 373.478 2.930 20 30 FFEDLO CC(C)c1cc([C@@H]2CCC[N@@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000879918789 1015708524 /nfs/dbraw/zinc/70/85/24/1015708524.db2.gz JAJQBELHRVDFCI-VQIMIIECSA-N 1 2 351.454 2.811 20 30 FFEDLO CC(C)c1cc([C@@H]2CCC[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000879918789 1015708529 /nfs/dbraw/zinc/70/85/29/1015708529.db2.gz JAJQBELHRVDFCI-VQIMIIECSA-N 1 2 351.454 2.811 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC001080067717 992701290 /nfs/dbraw/zinc/70/12/90/992701290.db2.gz MMNWCMKQESQFNJ-CZUORRHYSA-N 1 2 351.288 2.883 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC001080067717 992701296 /nfs/dbraw/zinc/70/12/96/992701296.db2.gz MMNWCMKQESQFNJ-CZUORRHYSA-N 1 2 351.288 2.883 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cc2F)C1 ZINC001032040899 992739948 /nfs/dbraw/zinc/73/99/48/992739948.db2.gz ZMGQPCZLMVODJI-HKUYNNGSSA-N 1 2 364.436 2.884 20 30 FFEDLO CC(C)n1cnc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)c1 ZINC001080196407 992797977 /nfs/dbraw/zinc/79/79/77/992797977.db2.gz XCJLTOJQQDUGER-RDTXWAMCSA-N 1 2 369.444 2.725 20 30 FFEDLO CC(C)n1cnc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)c1 ZINC001080196407 992797985 /nfs/dbraw/zinc/79/79/85/992797985.db2.gz XCJLTOJQQDUGER-RDTXWAMCSA-N 1 2 369.444 2.725 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000942851596 992808981 /nfs/dbraw/zinc/80/89/81/992808981.db2.gz PCZMXMUCOAUPKN-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000942851596 992808991 /nfs/dbraw/zinc/80/89/91/992808991.db2.gz PCZMXMUCOAUPKN-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1Cc2ccccc21 ZINC001080364505 993011419 /nfs/dbraw/zinc/01/14/19/993011419.db2.gz SIEWOWLIALITHZ-XMDBHEJHSA-N 1 2 363.436 2.974 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1Cc2ccccc21 ZINC001080364505 993011426 /nfs/dbraw/zinc/01/14/26/993011426.db2.gz SIEWOWLIALITHZ-XMDBHEJHSA-N 1 2 363.436 2.974 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CCCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000943504600 993027818 /nfs/dbraw/zinc/02/78/18/993027818.db2.gz UQHPIVPBZRPHNJ-RCCFBDPRSA-N 1 2 370.497 2.757 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CCCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000943504600 993027822 /nfs/dbraw/zinc/02/78/22/993027822.db2.gz UQHPIVPBZRPHNJ-RCCFBDPRSA-N 1 2 370.497 2.757 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cc(C2CC2)no1 ZINC001080535456 993147188 /nfs/dbraw/zinc/14/71/88/993147188.db2.gz NABJDZXUPFRCJY-FZKQIMNGSA-N 1 2 350.422 2.674 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cc(C2CC2)no1 ZINC001080535456 993147193 /nfs/dbraw/zinc/14/71/93/993147193.db2.gz NABJDZXUPFRCJY-FZKQIMNGSA-N 1 2 350.422 2.674 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)c(C)o1 ZINC001080662868 993257192 /nfs/dbraw/zinc/25/71/92/993257192.db2.gz DLJPNKPQXLGSPO-FZKQIMNGSA-N 1 2 355.413 2.532 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)c(C)o1 ZINC001080662868 993257200 /nfs/dbraw/zinc/25/72/00/993257200.db2.gz DLJPNKPQXLGSPO-FZKQIMNGSA-N 1 2 355.413 2.532 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)C1CCCC1 ZINC001081260955 993759807 /nfs/dbraw/zinc/75/98/07/993759807.db2.gz NEVZAMFZLMUPKG-RTBURBONSA-N 1 2 360.885 2.697 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)C1CCCC1 ZINC001081260955 993759817 /nfs/dbraw/zinc/75/98/17/993759817.db2.gz NEVZAMFZLMUPKG-RTBURBONSA-N 1 2 360.885 2.697 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC1CCCCC1 ZINC001081325381 993777313 /nfs/dbraw/zinc/77/73/13/993777313.db2.gz DSCWSFGLYFGTDG-WOJBJXKFSA-N 1 2 355.482 2.844 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC1CCCCC1 ZINC001081325381 993777323 /nfs/dbraw/zinc/77/73/23/993777323.db2.gz DSCWSFGLYFGTDG-WOJBJXKFSA-N 1 2 355.482 2.844 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1ccc(C)s1 ZINC001081292388 993789218 /nfs/dbraw/zinc/78/92/18/993789218.db2.gz KJFCTNJGABXSOX-IAGOWNOFSA-N 1 2 355.463 2.557 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1ccc(C)s1 ZINC001081292388 993789223 /nfs/dbraw/zinc/78/92/23/993789223.db2.gz KJFCTNJGABXSOX-IAGOWNOFSA-N 1 2 355.463 2.557 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C(C)(C)C1CCC1 ZINC001081991031 994088030 /nfs/dbraw/zinc/08/80/30/994088030.db2.gz FYUHBDVQJJSNRY-RTBURBONSA-N 1 2 355.482 2.700 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C(C)(C)C1CCC1 ZINC001081991031 994088043 /nfs/dbraw/zinc/08/80/43/994088043.db2.gz FYUHBDVQJJSNRY-RTBURBONSA-N 1 2 355.482 2.700 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C1(C)CCCC1 ZINC001081997962 994095439 /nfs/dbraw/zinc/09/54/39/994095439.db2.gz ZQSYUVVMNMEFJS-RTBURBONSA-N 1 2 358.457 2.573 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C1(C)CCCC1 ZINC001081997962 994095451 /nfs/dbraw/zinc/09/54/51/994095451.db2.gz ZQSYUVVMNMEFJS-RTBURBONSA-N 1 2 358.457 2.573 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CCCC1(C)C ZINC001082036345 994132215 /nfs/dbraw/zinc/13/22/15/994132215.db2.gz JGXGRNJLZZMUNV-GUDVDZBRSA-N 1 2 355.482 2.700 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CCCC1(C)C ZINC001082036345 994132223 /nfs/dbraw/zinc/13/22/23/994132223.db2.gz JGXGRNJLZZMUNV-GUDVDZBRSA-N 1 2 355.482 2.700 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC1CC(C)(C)C1 ZINC001082056490 994135760 /nfs/dbraw/zinc/13/57/60/994135760.db2.gz LPOSQKDIRZYEDE-RTBURBONSA-N 1 2 355.482 2.700 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC1CC(C)(C)C1 ZINC001082056490 994135765 /nfs/dbraw/zinc/13/57/65/994135765.db2.gz LPOSQKDIRZYEDE-RTBURBONSA-N 1 2 355.482 2.700 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccoc1C1CC1 ZINC001082066314 994142485 /nfs/dbraw/zinc/14/24/85/994142485.db2.gz LAQYEGZPUUIBPK-WOJBJXKFSA-N 1 2 364.445 2.638 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccoc1C1CC1 ZINC001082066314 994142489 /nfs/dbraw/zinc/14/24/89/994142489.db2.gz LAQYEGZPUUIBPK-WOJBJXKFSA-N 1 2 364.445 2.638 20 30 FFEDLO C=CCCC1(C(=O)NC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001082145175 994206651 /nfs/dbraw/zinc/20/66/51/994206651.db2.gz RGWMQDOGYHOCPQ-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCCC1(C(=O)NC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001082145175 994206659 /nfs/dbraw/zinc/20/66/59/994206659.db2.gz RGWMQDOGYHOCPQ-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1ccc(C)cc1 ZINC001082341223 994421412 /nfs/dbraw/zinc/42/14/12/994421412.db2.gz BIOAPXRKUCXCDT-WOJBJXKFSA-N 1 2 367.424 2.635 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1ccc(C)cc1 ZINC001082341223 994421417 /nfs/dbraw/zinc/42/14/17/994421417.db2.gz BIOAPXRKUCXCDT-WOJBJXKFSA-N 1 2 367.424 2.635 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C12CCC(CC1)CC2 ZINC001082381118 994490197 /nfs/dbraw/zinc/49/01/97/994490197.db2.gz WOIZYQWNAYWZDE-GQLBNEHISA-N 1 2 366.505 2.824 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C12CCC(CC1)CC2 ZINC001082381118 994490206 /nfs/dbraw/zinc/49/02/06/994490206.db2.gz WOIZYQWNAYWZDE-GQLBNEHISA-N 1 2 366.505 2.824 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000810082040 994691062 /nfs/dbraw/zinc/69/10/62/994691062.db2.gz DRERXEWYDCKCLY-KRWDZBQOSA-N 1 2 372.387 2.557 20 30 FFEDLO N#C[C@@H](C(=O)Cc1c[nH+]cn1Cc1ccccc1)c1nnc2n1CCCCC2 ZINC000810536678 994821740 /nfs/dbraw/zinc/82/17/40/994821740.db2.gz VSXRSJZDJXOMPM-SFHVURJKSA-N 1 2 374.448 2.668 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)CO2 ZINC001053878196 1015899488 /nfs/dbraw/zinc/89/94/88/1015899488.db2.gz DLTSWOPHPOUBOZ-AABGKKOBSA-N 1 2 354.494 2.791 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812851487 995554730 /nfs/dbraw/zinc/55/47/30/995554730.db2.gz RYJOAULZCGAXHL-JXFKEZNVSA-N 1 2 372.490 2.776 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812851487 995554742 /nfs/dbraw/zinc/55/47/42/995554742.db2.gz RYJOAULZCGAXHL-JXFKEZNVSA-N 1 2 372.490 2.776 20 30 FFEDLO C#C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(F)cc1 ZINC000812872090 995555988 /nfs/dbraw/zinc/55/59/88/995555988.db2.gz MMQDTTOKKZBCKY-GOSISDBHSA-N 1 2 352.413 2.995 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CC)no2)C1)c1ccccc1 ZINC001082936930 995869240 /nfs/dbraw/zinc/86/92/40/995869240.db2.gz DMHBOQYWPHMURK-HYVNUMGLSA-N 1 2 354.454 2.538 20 30 FFEDLO O=C(CCC1CCCC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001082984930 995973959 /nfs/dbraw/zinc/97/39/59/995973959.db2.gz CEUOFVZBGKHQAU-FCHUYYIVSA-N 1 2 366.505 2.920 20 30 FFEDLO O=C(CCC1CCCC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001082984930 995973964 /nfs/dbraw/zinc/97/39/64/995973964.db2.gz CEUOFVZBGKHQAU-FCHUYYIVSA-N 1 2 366.505 2.920 20 30 FFEDLO N#Cc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)CC4CCCC4)[C@H]3C2)ccc1F ZINC001082986670 995977852 /nfs/dbraw/zinc/97/78/52/995977852.db2.gz OQZXNPOSUAAECE-VQTJNVASSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)CC4CCCC4)[C@H]3C2)ccc1F ZINC001082986670 995977857 /nfs/dbraw/zinc/97/78/57/995977857.db2.gz OQZXNPOSUAAECE-VQTJNVASSA-N 1 2 371.456 2.689 20 30 FFEDLO CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001083001745 995998225 /nfs/dbraw/zinc/99/82/25/995998225.db2.gz CBVWKSBROQSSST-RBUKOAKNSA-N 1 2 358.457 2.525 20 30 FFEDLO CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001083001745 995998230 /nfs/dbraw/zinc/99/82/30/995998230.db2.gz CBVWKSBROQSSST-RBUKOAKNSA-N 1 2 358.457 2.525 20 30 FFEDLO Cc1cccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)n1 ZINC001084194780 996327061 /nfs/dbraw/zinc/32/70/61/996327061.db2.gz DNLUMKRCLWGLAH-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)n1 ZINC001084194780 996327063 /nfs/dbraw/zinc/32/70/63/996327063.db2.gz DNLUMKRCLWGLAH-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cccnc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084263335 996408985 /nfs/dbraw/zinc/40/89/85/996408985.db2.gz BRUJNWXTSBSXIN-UYAOXDASSA-N 1 2 363.436 2.727 20 30 FFEDLO Cc1cccnc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084263335 996408987 /nfs/dbraw/zinc/40/89/87/996408987.db2.gz BRUJNWXTSBSXIN-UYAOXDASSA-N 1 2 363.436 2.727 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cccnc3OC)C[C@H]21 ZINC001084372867 996498677 /nfs/dbraw/zinc/49/86/77/996498677.db2.gz KPXCAKIPTUOORA-GDBMZVCRSA-N 1 2 363.889 2.902 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3cccnc3OC)C[C@H]21 ZINC001084372867 996498681 /nfs/dbraw/zinc/49/86/81/996498681.db2.gz KPXCAKIPTUOORA-GDBMZVCRSA-N 1 2 363.889 2.902 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4ccccc4c(=O)o3)[C@@H]2C1 ZINC001084375642 996501145 /nfs/dbraw/zinc/50/11/45/996501145.db2.gz SVWVIPXDENRGNK-GDBMZVCRSA-N 1 2 358.825 2.692 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4ccccc4c(=O)o3)[C@@H]2C1 ZINC001084375642 996501147 /nfs/dbraw/zinc/50/11/47/996501147.db2.gz SVWVIPXDENRGNK-GDBMZVCRSA-N 1 2 358.825 2.692 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4cc[nH]c4n3)[C@@H]2C1 ZINC001084425845 996525239 /nfs/dbraw/zinc/52/52/39/996525239.db2.gz ALJAXIYHBXNMRP-UYAOXDASSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4cc[nH]c4n3)[C@@H]2C1 ZINC001084425845 996525242 /nfs/dbraw/zinc/52/52/42/996525242.db2.gz ALJAXIYHBXNMRP-UYAOXDASSA-N 1 2 371.444 2.781 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3c3ccccc3)[C@@H]2C1 ZINC001084396899 996539466 /nfs/dbraw/zinc/53/94/66/996539466.db2.gz SQVONCSDKZIYKE-NZSAHSFTSA-N 1 2 359.901 2.941 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3c3ccccc3)[C@@H]2C1 ZINC001084396899 996539469 /nfs/dbraw/zinc/53/94/69/996539469.db2.gz SQVONCSDKZIYKE-NZSAHSFTSA-N 1 2 359.901 2.941 20 30 FFEDLO O=C(c1ccn2ccnc2c1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084514487 996651544 /nfs/dbraw/zinc/65/15/44/996651544.db2.gz VSCBPQKVCFKUTF-NHCUHLMSSA-N 1 2 370.456 2.532 20 30 FFEDLO O=C(c1ccn2ccnc2c1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084514487 996651547 /nfs/dbraw/zinc/65/15/47/996651547.db2.gz VSCBPQKVCFKUTF-NHCUHLMSSA-N 1 2 370.456 2.532 20 30 FFEDLO O=C(N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21)[C@]12C[C@H]1CCC2 ZINC001084533473 996654058 /nfs/dbraw/zinc/65/40/58/996654058.db2.gz QOAADWPYLLKYMD-RMEPHLEKSA-N 1 2 352.453 2.900 20 30 FFEDLO O=C(N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21)[C@]12C[C@H]1CCC2 ZINC001084533473 996654061 /nfs/dbraw/zinc/65/40/61/996654061.db2.gz QOAADWPYLLKYMD-RMEPHLEKSA-N 1 2 352.453 2.900 20 30 FFEDLO C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21)C(F)(F)F ZINC001084581248 996694713 /nfs/dbraw/zinc/69/47/13/996694713.db2.gz DUEMXFPPIXKNNB-DJSGYFEHSA-N 1 2 369.362 2.928 20 30 FFEDLO C[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21)C(F)(F)F ZINC001084581248 996694718 /nfs/dbraw/zinc/69/47/18/996694718.db2.gz DUEMXFPPIXKNNB-DJSGYFEHSA-N 1 2 369.362 2.928 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1noc3ccc(F)cc13)C2 ZINC001098018351 1016082352 /nfs/dbraw/zinc/08/23/52/1016082352.db2.gz JTMPMJDHMVKIAT-WQVCFCJDSA-N 1 2 363.820 2.983 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1noc3ccc(F)cc13)C2 ZINC001098018351 1016082360 /nfs/dbraw/zinc/08/23/60/1016082360.db2.gz JTMPMJDHMVKIAT-WQVCFCJDSA-N 1 2 363.820 2.983 20 30 FFEDLO CCc1nc(C)c(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)o1 ZINC001084757645 997216668 /nfs/dbraw/zinc/21/66/68/997216668.db2.gz HVNKNTUQMCDQSB-RTBURBONSA-N 1 2 363.461 2.743 20 30 FFEDLO CCc1nc(C)c(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)o1 ZINC001084757645 997216684 /nfs/dbraw/zinc/21/66/84/997216684.db2.gz HVNKNTUQMCDQSB-RTBURBONSA-N 1 2 363.461 2.743 20 30 FFEDLO C#CC[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000844000913 997598217 /nfs/dbraw/zinc/59/82/17/997598217.db2.gz KCHJNPQKNQADFI-QZTJIDSGSA-N 1 2 357.473 2.598 20 30 FFEDLO C=CCCCN(C)C(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000677295320 1016151534 /nfs/dbraw/zinc/15/15/34/1016151534.db2.gz XMCQDQGLZPNMIF-LJQANCHMSA-N 1 2 368.481 2.782 20 30 FFEDLO COc1ccc(-c2noc(C[N@H+](C)C[C@@H](O)c3cccc(C#N)c3)n2)cc1 ZINC000844369811 997814453 /nfs/dbraw/zinc/81/44/53/997814453.db2.gz ZPQBTQLCJALIAX-GOSISDBHSA-N 1 2 364.405 2.782 20 30 FFEDLO COc1ccc(-c2noc(C[N@@H+](C)C[C@@H](O)c3cccc(C#N)c3)n2)cc1 ZINC000844369811 997814462 /nfs/dbraw/zinc/81/44/62/997814462.db2.gz ZPQBTQLCJALIAX-GOSISDBHSA-N 1 2 364.405 2.782 20 30 FFEDLO C[C@H]1CCc2ccccc2N1C(=O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844367317 997839418 /nfs/dbraw/zinc/83/94/18/997839418.db2.gz SXDWVNWLKZXQAY-KKSFZXQISA-N 1 2 363.461 2.891 20 30 FFEDLO C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844367317 997839428 /nfs/dbraw/zinc/83/94/28/997839428.db2.gz SXDWVNWLKZXQAY-KKSFZXQISA-N 1 2 363.461 2.891 20 30 FFEDLO Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](Cc4cc(F)ccc4C#N)[C@H]3C2)on1 ZINC001084888885 997872067 /nfs/dbraw/zinc/87/20/67/997872067.db2.gz RCFMISVTXSRCDI-KDOFPFPSSA-N 1 2 368.412 2.730 20 30 FFEDLO Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cc(F)ccc4C#N)[C@H]3C2)on1 ZINC001084888885 997872078 /nfs/dbraw/zinc/87/20/78/997872078.db2.gz RCFMISVTXSRCDI-KDOFPFPSSA-N 1 2 368.412 2.730 20 30 FFEDLO C[C@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2(CCC2)CO1 ZINC000844422513 997879322 /nfs/dbraw/zinc/87/93/22/997879322.db2.gz NNMPUXTYPIGJQR-GOEBONIOSA-N 1 2 362.433 2.867 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2(CCC2)CO1 ZINC000844422513 997879332 /nfs/dbraw/zinc/87/93/32/997879332.db2.gz NNMPUXTYPIGJQR-GOEBONIOSA-N 1 2 362.433 2.867 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@H]2C1 ZINC001084907418 998009646 /nfs/dbraw/zinc/00/96/46/998009646.db2.gz OREFUQKKNSTFKJ-QAPCUYQASA-N 1 2 371.456 2.735 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@H]2C1 ZINC001084907418 998009657 /nfs/dbraw/zinc/00/96/57/998009657.db2.gz OREFUQKKNSTFKJ-QAPCUYQASA-N 1 2 371.456 2.735 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccncc3F)C[C@@H]21 ZINC001084910365 998024742 /nfs/dbraw/zinc/02/47/42/998024742.db2.gz VYOKIPDNTZWZSS-DOMZBBRYSA-N 1 2 368.250 2.666 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccncc3F)C[C@@H]21 ZINC001084910365 998024753 /nfs/dbraw/zinc/02/47/53/998024753.db2.gz VYOKIPDNTZWZSS-DOMZBBRYSA-N 1 2 368.250 2.666 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C)no3)[C@H]2C1 ZINC001084948785 998270955 /nfs/dbraw/zinc/27/09/55/998270955.db2.gz BYQWNTGJOQGGLS-KGLIPLIRSA-N 1 2 352.866 2.580 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C)no3)[C@H]2C1 ZINC001084948785 998270965 /nfs/dbraw/zinc/27/09/65/998270965.db2.gz BYQWNTGJOQGGLS-KGLIPLIRSA-N 1 2 352.866 2.580 20 30 FFEDLO C#Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000731866363 998309494 /nfs/dbraw/zinc/30/94/94/998309494.db2.gz GOZAWFLWLJWYSU-MRXNPFEDSA-N 1 2 351.425 2.956 20 30 FFEDLO C[C@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)N(CCC#N)c1ccccc1 ZINC000845278876 998462144 /nfs/dbraw/zinc/46/21/44/998462144.db2.gz WUEAZMDNIYLMOF-HOTGVXAUSA-N 1 2 354.410 2.713 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001000071911 1016221021 /nfs/dbraw/zinc/22/10/21/1016221021.db2.gz OGVUAAAFDLHQFF-IKGGRYGDSA-N 1 2 370.497 2.682 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CN(C)Cc2cscn2)c1 ZINC000732163866 998496465 /nfs/dbraw/zinc/49/64/65/998496465.db2.gz AEWAKPRHBRLVGS-IBGZPJMESA-N 1 2 368.506 2.811 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CN(C)Cc2cscn2)c1 ZINC000732163866 998496477 /nfs/dbraw/zinc/49/64/77/998496477.db2.gz AEWAKPRHBRLVGS-IBGZPJMESA-N 1 2 368.506 2.811 20 30 FFEDLO CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845443465 998542084 /nfs/dbraw/zinc/54/20/84/998542084.db2.gz XNLIWWKFEAFUPH-OAHLLOKOSA-N 1 2 366.421 2.508 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ncnn4C(C)C)[C@H]3C2)C1 ZINC001085027086 998711877 /nfs/dbraw/zinc/71/18/77/998711877.db2.gz LFNZQMSJUOOPSJ-SJORKVTESA-N 1 2 357.502 2.638 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4ncnn4C(C)C)[C@H]3C2)C1 ZINC001085027086 998711880 /nfs/dbraw/zinc/71/18/80/998711880.db2.gz LFNZQMSJUOOPSJ-SJORKVTESA-N 1 2 357.502 2.638 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nc(CCC)no4)[C@H]3C2)C1 ZINC001085027313 998712902 /nfs/dbraw/zinc/71/29/02/998712902.db2.gz ZSBHTTLPERCXHE-CVEARBPZSA-N 1 2 358.486 2.801 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4nc(CCC)no4)[C@H]3C2)C1 ZINC001085027313 998712906 /nfs/dbraw/zinc/71/29/06/998712906.db2.gz ZSBHTTLPERCXHE-CVEARBPZSA-N 1 2 358.486 2.801 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)C3(CF)CC3)C[C@@H]21 ZINC001085028893 998717686 /nfs/dbraw/zinc/71/76/86/998717686.db2.gz WEDSGUADTVQRQM-KDOFPFPSSA-N 1 2 359.420 2.870 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)C3(CF)CC3)C[C@@H]21 ZINC001085028893 998717688 /nfs/dbraw/zinc/71/76/88/998717688.db2.gz WEDSGUADTVQRQM-KDOFPFPSSA-N 1 2 359.420 2.870 20 30 FFEDLO CC[NH+](CC)CCN1c2ccccc2C(=NNc2nccnc2Cl)C1=O ZINC000733078295 998865373 /nfs/dbraw/zinc/86/53/73/998865373.db2.gz AUIXIPAYQWHKLT-UHFFFAOYSA-N 1 2 372.860 2.635 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)o3)[C@H]2C1)c1ccccc1 ZINC001085099508 998941440 /nfs/dbraw/zinc/94/14/40/998941440.db2.gz WQRAVRMWLOTPHZ-QYZOEREBSA-N 1 2 366.465 2.771 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)o3)[C@H]2C1)c1ccccc1 ZINC001085099508 998941448 /nfs/dbraw/zinc/94/14/48/998941448.db2.gz WQRAVRMWLOTPHZ-QYZOEREBSA-N 1 2 366.465 2.771 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000733306924 998953018 /nfs/dbraw/zinc/95/30/18/998953018.db2.gz NIJBISIQNVUFOG-LBPRGKRZSA-N 1 2 372.381 2.576 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000734166243 999218845 /nfs/dbraw/zinc/21/88/45/999218845.db2.gz PNLFFJQXAINPQS-UHFFFAOYSA-N 1 2 364.449 2.562 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2noc(CCC)n2)cc1 ZINC001085293465 999315906 /nfs/dbraw/zinc/31/59/06/999315906.db2.gz KGCKNQRQRIKWSE-QZTJIDSGSA-N 1 2 366.465 2.834 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085733702 999619602 /nfs/dbraw/zinc/61/96/02/999619602.db2.gz MWCQJOWPSFIASS-SCTDSRPQSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085733702 999619605 /nfs/dbraw/zinc/61/96/05/999619605.db2.gz MWCQJOWPSFIASS-SCTDSRPQSA-N 1 2 359.445 2.545 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)[C@@H]2C[C@H]2C2CC2)cc1C#N ZINC001085866714 999660211 /nfs/dbraw/zinc/66/02/11/999660211.db2.gz QNTWGNHAZREUCA-CEXWTWQISA-N 1 2 353.466 2.646 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]2CN(C)C(=O)[C@@H]2C[C@H]2C2CC2)cc1C#N ZINC001085866714 999660214 /nfs/dbraw/zinc/66/02/14/999660214.db2.gz QNTWGNHAZREUCA-CEXWTWQISA-N 1 2 353.466 2.646 20 30 FFEDLO N#CCOc1ccc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000741382911 999725690 /nfs/dbraw/zinc/72/56/90/999725690.db2.gz JSZRUGPPDHCOMQ-HXUWFJFHSA-N 1 2 366.417 2.533 20 30 FFEDLO N#CCOc1ccc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000741382911 999725692 /nfs/dbraw/zinc/72/56/92/999725692.db2.gz JSZRUGPPDHCOMQ-HXUWFJFHSA-N 1 2 366.417 2.533 20 30 FFEDLO CCOC(=O)N[C@H]1CCC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000744139808 999844347 /nfs/dbraw/zinc/84/43/47/999844347.db2.gz KVPDAYXIAVTURB-KRWDZBQOSA-N 1 2 353.426 2.590 20 30 FFEDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000744139808 999844348 /nfs/dbraw/zinc/84/43/48/999844348.db2.gz KVPDAYXIAVTURB-KRWDZBQOSA-N 1 2 353.426 2.590 20 30 FFEDLO COc1cc(C#N)ccc1COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000766900193 1000089157 /nfs/dbraw/zinc/08/91/57/1000089157.db2.gz JGSJIJJCXBTUGO-FQEVSTJZSA-N 1 2 366.417 2.511 20 30 FFEDLO COc1cc(C#N)ccc1COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000766900193 1000089159 /nfs/dbraw/zinc/08/91/59/1000089159.db2.gz JGSJIJJCXBTUGO-FQEVSTJZSA-N 1 2 366.417 2.511 20 30 FFEDLO C[C@H](c1nc2ccccc2o1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSCC#N)C2 ZINC001108952354 1000135886 /nfs/dbraw/zinc/13/58/86/1000135886.db2.gz WPRCIMUTFDBYEM-VDERGJSUSA-N 1 2 370.478 2.867 20 30 FFEDLO C[C@H](c1nc2ccccc2o1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSCC#N)C2 ZINC001108952354 1000135887 /nfs/dbraw/zinc/13/58/87/1000135887.db2.gz WPRCIMUTFDBYEM-VDERGJSUSA-N 1 2 370.478 2.867 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(Cl)c1 ZINC001109038594 1000157686 /nfs/dbraw/zinc/15/76/86/1000157686.db2.gz ULJJEUFOPDPWTP-SIXLDLHFSA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(Cl)c1 ZINC001109038594 1000157687 /nfs/dbraw/zinc/15/76/87/1000157687.db2.gz ULJJEUFOPDPWTP-SIXLDLHFSA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(Cl)cccc1OC ZINC001109070617 1000161480 /nfs/dbraw/zinc/16/14/80/1000161480.db2.gz FAOVLZHKMQKTLG-COXVUDFISA-N 1 2 364.873 2.773 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(Cl)cccc1OC ZINC001109070617 1000161481 /nfs/dbraw/zinc/16/14/81/1000161481.db2.gz FAOVLZHKMQKTLG-COXVUDFISA-N 1 2 364.873 2.773 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1sccc1Br ZINC001109090055 1000166627 /nfs/dbraw/zinc/16/66/27/1000166627.db2.gz BSOUBZUHJJQQLK-LFSVMHDDSA-N 1 2 368.300 2.892 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1sccc1Br ZINC001109090055 1000166628 /nfs/dbraw/zinc/16/66/28/1000166628.db2.gz BSOUBZUHJJQQLK-LFSVMHDDSA-N 1 2 368.300 2.892 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(-c2ccc(F)cc2)o1 ZINC001109090463 1000166890 /nfs/dbraw/zinc/16/68/90/1000166890.db2.gz TZYGPEQTWOZKRW-VZEFYGNVSA-N 1 2 368.412 2.862 20 30 FFEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(-c2ccc(F)cc2)o1 ZINC001109090463 1000166891 /nfs/dbraw/zinc/16/68/91/1000166891.db2.gz TZYGPEQTWOZKRW-VZEFYGNVSA-N 1 2 368.412 2.862 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109120463 1000169789 /nfs/dbraw/zinc/16/97/89/1000169789.db2.gz UTMSVWDBZDBIEM-HOJAQTOUSA-N 1 2 371.456 2.902 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109120463 1000169792 /nfs/dbraw/zinc/16/97/92/1000169792.db2.gz UTMSVWDBZDBIEM-HOJAQTOUSA-N 1 2 371.456 2.902 20 30 FFEDLO CC[C@H](SC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1OC ZINC001109158567 1000180100 /nfs/dbraw/zinc/18/01/00/1000180100.db2.gz SJKAMECVPPEWTH-DFEOGRTESA-N 1 2 373.522 2.930 20 30 FFEDLO CC[C@H](SC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1OC ZINC001109158567 1000180102 /nfs/dbraw/zinc/18/01/02/1000180102.db2.gz SJKAMECVPPEWTH-DFEOGRTESA-N 1 2 373.522 2.930 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(-c2ccccc2)no1 ZINC001109208851 1000187382 /nfs/dbraw/zinc/18/73/82/1000187382.db2.gz CXCVHVVETKVSKO-SQNIBIBYSA-N 1 2 364.449 2.762 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(-c2ccccc2)no1 ZINC001109208851 1000187383 /nfs/dbraw/zinc/18/73/83/1000187383.db2.gz CXCVHVVETKVSKO-SQNIBIBYSA-N 1 2 364.449 2.762 20 30 FFEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)N3CCCCC3)CC2)cc1 ZINC000768225635 1000197598 /nfs/dbraw/zinc/19/75/98/1000197598.db2.gz JXWOQSRCVODUHV-QGZVFWFLSA-N 1 2 356.470 2.701 20 30 FFEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001109252067 1000202077 /nfs/dbraw/zinc/20/20/77/1000202077.db2.gz XPFDZLQAQJQBJM-AABGKKOBSA-N 1 2 352.865 2.826 20 30 FFEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001109252067 1000202078 /nfs/dbraw/zinc/20/20/78/1000202078.db2.gz XPFDZLQAQJQBJM-AABGKKOBSA-N 1 2 352.865 2.826 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2CCN(c3nc(C)[nH+]c4c3CCCC4)[C@H]2C1 ZINC001091212275 1000261364 /nfs/dbraw/zinc/26/13/64/1000261364.db2.gz BANYUHQOESTRQE-PXNSSMCTSA-N 1 2 366.509 2.895 20 30 FFEDLO CCCn1nccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001095477210 1016399321 /nfs/dbraw/zinc/39/93/21/1016399321.db2.gz VLROJWVDYZXRHS-AABGKKOBSA-N 1 2 362.477 2.680 20 30 FFEDLO CCCn1nccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001095477210 1016399333 /nfs/dbraw/zinc/39/93/33/1016399333.db2.gz VLROJWVDYZXRHS-AABGKKOBSA-N 1 2 362.477 2.680 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C)(C)CC ZINC001109328951 1000277767 /nfs/dbraw/zinc/27/77/67/1000277767.db2.gz GKUWFEGHZCEVGV-SQNIBIBYSA-N 1 2 361.530 2.781 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C)(C)CC ZINC001109328951 1000277770 /nfs/dbraw/zinc/27/77/70/1000277770.db2.gz GKUWFEGHZCEVGV-SQNIBIBYSA-N 1 2 361.530 2.781 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001109350671 1000296037 /nfs/dbraw/zinc/29/60/37/1000296037.db2.gz AMMZXQMOOKRSMD-QYZOEREBSA-N 1 2 355.482 2.727 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001109350671 1000296042 /nfs/dbraw/zinc/29/60/42/1000296042.db2.gz AMMZXQMOOKRSMD-QYZOEREBSA-N 1 2 355.482 2.727 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC001091278385 1000361587 /nfs/dbraw/zinc/36/15/87/1000361587.db2.gz ULBWLSASCVZSJU-QZTJIDSGSA-N 1 2 357.502 2.660 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001091278385 1000361593 /nfs/dbraw/zinc/36/15/93/1000361593.db2.gz ULBWLSASCVZSJU-QZTJIDSGSA-N 1 2 357.502 2.660 20 30 FFEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)nn1 ZINC000846788820 1000430565 /nfs/dbraw/zinc/43/05/65/1000430565.db2.gz MIGBZHLRIPPGIA-INIZCTEOSA-N 1 2 363.506 2.933 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)nn1 ZINC000846788820 1000430568 /nfs/dbraw/zinc/43/05/68/1000430568.db2.gz MIGBZHLRIPPGIA-INIZCTEOSA-N 1 2 363.506 2.933 20 30 FFEDLO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000847030367 1000524619 /nfs/dbraw/zinc/52/46/19/1000524619.db2.gz MPNAQWHMZWIOJF-KRWDZBQOSA-N 1 2 364.449 2.902 20 30 FFEDLO C#C[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000847030367 1000524624 /nfs/dbraw/zinc/52/46/24/1000524624.db2.gz MPNAQWHMZWIOJF-KRWDZBQOSA-N 1 2 364.449 2.902 20 30 FFEDLO C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001146223413 1000644154 /nfs/dbraw/zinc/64/41/54/1000644154.db2.gz WSLVGELAFNDSAH-PJIJBLCYSA-N 1 2 360.458 2.585 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](OC)c1cccc(OC)c1)C2 ZINC001109569893 1000656273 /nfs/dbraw/zinc/65/62/73/1000656273.db2.gz NXNSCZUXJPIZHJ-LAVFITLUSA-N 1 2 364.873 2.857 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](OC)c1cccc(OC)c1)C2 ZINC001109569893 1000656276 /nfs/dbraw/zinc/65/62/76/1000656276.db2.gz NXNSCZUXJPIZHJ-LAVFITLUSA-N 1 2 364.873 2.857 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1)C1CCC1 ZINC001109574267 1000663989 /nfs/dbraw/zinc/66/39/89/1000663989.db2.gz UTUVUZMWBIMVCQ-BTHPGYMESA-N 1 2 371.456 2.734 20 30 FFEDLO CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1)C1CCC1 ZINC001109574267 1000663995 /nfs/dbraw/zinc/66/39/95/1000663995.db2.gz UTUVUZMWBIMVCQ-BTHPGYMESA-N 1 2 371.456 2.734 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001109635886 1000762454 /nfs/dbraw/zinc/76/24/54/1000762454.db2.gz YCEFAHRBBFAKLC-OAOYMFHYSA-N 1 2 373.541 2.615 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001109635886 1000762460 /nfs/dbraw/zinc/76/24/60/1000762460.db2.gz YCEFAHRBBFAKLC-OAOYMFHYSA-N 1 2 373.541 2.615 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)c1ccco1 ZINC001109657943 1000796242 /nfs/dbraw/zinc/79/62/42/1000796242.db2.gz LHAYTDLYHAAZSH-NCOADZHNSA-N 1 2 359.470 2.535 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)c1ccco1 ZINC001109657943 1000796246 /nfs/dbraw/zinc/79/62/46/1000796246.db2.gz LHAYTDLYHAAZSH-NCOADZHNSA-N 1 2 359.470 2.535 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2nc(Br)sc2C2CC2)CC1 ZINC001147291105 1000871811 /nfs/dbraw/zinc/87/18/11/1000871811.db2.gz IITLWVJBVAOQKZ-UHFFFAOYSA-N 1 2 368.300 2.564 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2nc(Br)sc2C2CC2)CC1 ZINC001147291105 1000871815 /nfs/dbraw/zinc/87/18/15/1000871815.db2.gz IITLWVJBVAOQKZ-UHFFFAOYSA-N 1 2 368.300 2.564 20 30 FFEDLO N#CCn1c(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)nc2ccccc2c1=O ZINC000770687237 1000878212 /nfs/dbraw/zinc/87/82/12/1000878212.db2.gz DEUJEBNIAJYXHE-JOCHJYFZSA-N 1 2 372.428 2.551 20 30 FFEDLO N#CCn1c(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)nc2ccccc2c1=O ZINC000770687237 1000878218 /nfs/dbraw/zinc/87/82/18/1000878218.db2.gz DEUJEBNIAJYXHE-JOCHJYFZSA-N 1 2 372.428 2.551 20 30 FFEDLO Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[C@@H](Nc3ccc(C#N)nc3)C2)c[nH+]1 ZINC001091647342 1000951374 /nfs/dbraw/zinc/95/13/74/1000951374.db2.gz SUXDNWPUEJWBEI-JKSUJKDBSA-N 1 2 366.469 2.590 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NCc1ccco1 ZINC001109767867 1000974471 /nfs/dbraw/zinc/97/44/71/1000974471.db2.gz OGXGPHUDZFMXST-MVJTYMMSSA-N 1 2 373.497 2.608 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NCc1ccco1 ZINC001109767867 1000974475 /nfs/dbraw/zinc/97/44/75/1000974475.db2.gz OGXGPHUDZFMXST-MVJTYMMSSA-N 1 2 373.497 2.608 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@@H](CNc3cc[nH+]c(C)n3)[C@H](OCC)C2)CC1 ZINC001091672392 1001017147 /nfs/dbraw/zinc/01/71/47/1001017147.db2.gz HWGRYTYVZNJEKE-IAGOWNOFSA-N 1 2 358.486 2.807 20 30 FFEDLO C=CC1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCCC)CCCCC1 ZINC001109830238 1001060279 /nfs/dbraw/zinc/06/02/79/1001060279.db2.gz RFMVWLLCQOMARL-SQNIBIBYSA-N 1 2 361.530 2.761 20 30 FFEDLO C=CC1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCCC)CCCCC1 ZINC001109830238 1001060283 /nfs/dbraw/zinc/06/02/83/1001060283.db2.gz RFMVWLLCQOMARL-SQNIBIBYSA-N 1 2 361.530 2.761 20 30 FFEDLO C[C@]12CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2 ZINC001091691291 1001062591 /nfs/dbraw/zinc/06/25/91/1001062591.db2.gz QKHJSCZVYFNFKC-RYRKJORJSA-N 1 2 368.374 2.719 20 30 FFEDLO C[C@]12CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[N@@H+](CC#Cc1ccccc1)C2 ZINC001091691291 1001062598 /nfs/dbraw/zinc/06/25/98/1001062598.db2.gz QKHJSCZVYFNFKC-RYRKJORJSA-N 1 2 368.374 2.719 20 30 FFEDLO C[C@]12CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2 ZINC001091691291 1001062605 /nfs/dbraw/zinc/06/26/05/1001062605.db2.gz QKHJSCZVYFNFKC-RYRKJORJSA-N 1 2 368.374 2.719 20 30 FFEDLO C[C@]12CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C[N@@H+](CC#Cc1ccccc1)C2 ZINC001091691291 1001062614 /nfs/dbraw/zinc/06/26/14/1001062614.db2.gz QKHJSCZVYFNFKC-RYRKJORJSA-N 1 2 368.374 2.719 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001091688848 1001084193 /nfs/dbraw/zinc/08/41/93/1001084193.db2.gz VRWRZSVMZMDSNL-HFTRVMKXSA-N 1 2 370.497 2.740 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C3CCC3)c1)C2 ZINC001109979121 1001225341 /nfs/dbraw/zinc/22/53/41/1001225341.db2.gz ULNKRWKJOUDZGU-AABGKKOBSA-N 1 2 367.493 2.591 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C3CCC3)c1)C2 ZINC001109979121 1001225344 /nfs/dbraw/zinc/22/53/44/1001225344.db2.gz ULNKRWKJOUDZGU-AABGKKOBSA-N 1 2 367.493 2.591 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccsc1)C2 ZINC001109984739 1001243068 /nfs/dbraw/zinc/24/30/68/1001243068.db2.gz KUWAHFKBSBBPME-NEWSRXKRSA-N 1 2 367.474 2.920 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccsc1)C2 ZINC001109984739 1001243073 /nfs/dbraw/zinc/24/30/73/1001243073.db2.gz KUWAHFKBSBBPME-NEWSRXKRSA-N 1 2 367.474 2.920 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cccnc2)C3)cc1F ZINC001096723977 1016478470 /nfs/dbraw/zinc/47/84/70/1016478470.db2.gz YPUFMRUZJBLDTD-QRQLOZEOSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cccnc2)C3)cc1F ZINC001096723977 1016478476 /nfs/dbraw/zinc/47/84/76/1016478476.db2.gz YPUFMRUZJBLDTD-QRQLOZEOSA-N 1 2 350.397 2.628 20 30 FFEDLO C=CCc1cccc(C[N@H+]2C[C@]3(F)CN(CCCC)C(=O)[C@]3(F)C2)c1O ZINC001276178886 1016479908 /nfs/dbraw/zinc/47/99/08/1016479908.db2.gz BKHVCTHCXHOVPT-VQTJNVASSA-N 1 2 364.436 2.995 20 30 FFEDLO C=CCc1cccc(C[N@@H+]2C[C@]3(F)CN(CCCC)C(=O)[C@]3(F)C2)c1O ZINC001276178886 1016479916 /nfs/dbraw/zinc/47/99/16/1016479916.db2.gz BKHVCTHCXHOVPT-VQTJNVASSA-N 1 2 364.436 2.995 20 30 FFEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCCCCCC)C2 ZINC001110026776 1001328614 /nfs/dbraw/zinc/32/86/14/1001328614.db2.gz HCCQAEFAHGTRDG-QYZOEREBSA-N 1 2 361.530 2.598 20 30 FFEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCCCCCC)C2 ZINC001110026776 1001328620 /nfs/dbraw/zinc/32/86/20/1001328620.db2.gz HCCQAEFAHGTRDG-QYZOEREBSA-N 1 2 361.530 2.598 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(C(=O)NCC(C)C)c2)n1 ZINC000789332614 1002049596 /nfs/dbraw/zinc/04/95/96/1002049596.db2.gz UNOQDZIYMXKGPD-UHFFFAOYSA-N 1 2 352.482 2.924 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc(C(=O)NCC(C)C)c2)n1 ZINC000789332614 1002049604 /nfs/dbraw/zinc/04/96/04/1002049604.db2.gz UNOQDZIYMXKGPD-UHFFFAOYSA-N 1 2 352.482 2.924 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(CC(C)C)no3)C[C@@]2(C)C1 ZINC001091917201 1002067654 /nfs/dbraw/zinc/06/76/54/1002067654.db2.gz VCJJCHYKGSSARP-QRWLVFNGSA-N 1 2 360.502 2.761 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nc(CC(C)C)no3)C[C@@]2(C)C1 ZINC001091917201 1002067665 /nfs/dbraw/zinc/06/76/65/1002067665.db2.gz VCJJCHYKGSSARP-QRWLVFNGSA-N 1 2 360.502 2.761 20 30 FFEDLO O=C(COC1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110329982 1002196382 /nfs/dbraw/zinc/19/63/82/1002196382.db2.gz GMZWKIUUTWEIOG-NRSPTQNISA-N 1 2 370.468 2.858 20 30 FFEDLO O=C(COC1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110329982 1002196390 /nfs/dbraw/zinc/19/63/90/1002196390.db2.gz GMZWKIUUTWEIOG-NRSPTQNISA-N 1 2 370.468 2.858 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@@H+](Cc4ncnn4CC(C)C)C[C@@]3(C)C2)C1 ZINC001091995210 1002199914 /nfs/dbraw/zinc/19/99/14/1002199914.db2.gz ASMANMOADRQXIT-UTKZUKDTSA-N 1 2 371.529 2.571 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](Cc4ncnn4CC(C)C)C[C@@]3(C)C2)C1 ZINC001091995210 1002199919 /nfs/dbraw/zinc/19/99/19/1002199919.db2.gz ASMANMOADRQXIT-UTKZUKDTSA-N 1 2 371.529 2.571 20 30 FFEDLO CC(C)(C)[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000790430770 1002374543 /nfs/dbraw/zinc/37/45/43/1002374543.db2.gz DIUCUKHFGPJORJ-QAPCUYQASA-N 1 2 364.449 2.971 20 30 FFEDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000790430770 1002374548 /nfs/dbraw/zinc/37/45/48/1002374548.db2.gz DIUCUKHFGPJORJ-QAPCUYQASA-N 1 2 364.449 2.971 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2(F)CCOCC2)C1 ZINC001086591297 1002507224 /nfs/dbraw/zinc/50/72/24/1002507224.db2.gz GIXFMSNQNMROJL-DLBZAZTESA-N 1 2 366.864 2.842 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2(F)CCOCC2)C1 ZINC001086591297 1002507227 /nfs/dbraw/zinc/50/72/27/1002507227.db2.gz GIXFMSNQNMROJL-DLBZAZTESA-N 1 2 366.864 2.842 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cccc(F)n2)C1 ZINC001092315777 1002668421 /nfs/dbraw/zinc/66/84/21/1002668421.db2.gz MUQZZFUAMVFCOF-ARFHVFGLSA-N 1 2 371.460 2.963 20 30 FFEDLO C#CCCCC(=O)NC[C@@H]1CN(c2nc(C)[nH+]c3c2CCCC3)C[C@H]1C ZINC001092359660 1002729060 /nfs/dbraw/zinc/72/90/60/1002729060.db2.gz LLJQUJIRDZQMEY-NVXWUHKLSA-N 1 2 354.498 2.656 20 30 FFEDLO CC(C)CN1C[C@@]2(F)C[N@H+](CCCc3ccc(C#N)cc3)C[C@@]2(F)C1=O ZINC001276279264 1016702551 /nfs/dbraw/zinc/70/25/51/1016702551.db2.gz HLNIMWMXCREFCS-VQTJNVASSA-N 1 2 361.436 2.721 20 30 FFEDLO CC(C)CN1C[C@@]2(F)C[N@@H+](CCCc3ccc(C#N)cc3)C[C@@]2(F)C1=O ZINC001276279264 1016702566 /nfs/dbraw/zinc/70/25/66/1016702566.db2.gz HLNIMWMXCREFCS-VQTJNVASSA-N 1 2 361.436 2.721 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)nc1 ZINC001110365980 1003010782 /nfs/dbraw/zinc/01/07/82/1003010782.db2.gz GBTUAAHVIZJQFS-SVGFKBNWSA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)nc1 ZINC001110365980 1003010793 /nfs/dbraw/zinc/01/07/93/1003010793.db2.gz GBTUAAHVIZJQFS-SVGFKBNWSA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110366164 1003013985 /nfs/dbraw/zinc/01/39/85/1003013985.db2.gz LGOHPYGRQFSYSO-ZXNZYJFHSA-N 1 2 370.468 2.880 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110366164 1003013997 /nfs/dbraw/zinc/01/39/97/1003013997.db2.gz LGOHPYGRQFSYSO-ZXNZYJFHSA-N 1 2 370.468 2.880 20 30 FFEDLO Cc1cc(N2C[C@@H](C)[C@H](CCNC(=O)C#CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001092512424 1003019791 /nfs/dbraw/zinc/01/97/91/1003019791.db2.gz OSPYOQCHLWTGTR-CRAIPNDOSA-N 1 2 354.498 2.900 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1=CC[N@H+](Cc2nocc2C)CC1 ZINC001001242971 1016712402 /nfs/dbraw/zinc/71/24/02/1016712402.db2.gz OEQXFMVNKADMNQ-HKUYNNGSSA-N 1 2 359.470 2.603 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1=CC[N@@H+](Cc2nocc2C)CC1 ZINC001001242971 1016712414 /nfs/dbraw/zinc/71/24/14/1016712414.db2.gz OEQXFMVNKADMNQ-HKUYNNGSSA-N 1 2 359.470 2.603 20 30 FFEDLO Cc1ccncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001096911497 1016725797 /nfs/dbraw/zinc/72/57/97/1016725797.db2.gz GMDDRYDLOGUWTL-NRSPTQNISA-N 1 2 363.436 2.916 20 30 FFEDLO Cc1ccncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001096911497 1016725808 /nfs/dbraw/zinc/72/58/08/1016725808.db2.gz GMDDRYDLOGUWTL-NRSPTQNISA-N 1 2 363.436 2.916 20 30 FFEDLO Cc1ncoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096918493 1016735977 /nfs/dbraw/zinc/73/59/77/1016735977.db2.gz VKGNTICJEHMMKD-OIISXLGYSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1ncoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001096918493 1016735990 /nfs/dbraw/zinc/73/59/90/1016735990.db2.gz VKGNTICJEHMMKD-OIISXLGYSA-N 1 2 354.385 2.529 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(CC(F)(F)F)n1 ZINC001110378699 1003270604 /nfs/dbraw/zinc/27/06/04/1003270604.db2.gz CCKLTCNWPFLSRW-KFWWJZLASA-N 1 2 356.392 2.633 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(CC(F)(F)F)n1 ZINC001110378699 1003270606 /nfs/dbraw/zinc/27/06/06/1003270606.db2.gz CCKLTCNWPFLSRW-KFWWJZLASA-N 1 2 356.392 2.633 20 30 FFEDLO Cc1[nH]ccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001096936717 1016760906 /nfs/dbraw/zinc/76/09/06/1016760906.db2.gz PLEWGNNJKQFUDY-LZQZEXGQSA-N 1 2 352.413 2.869 20 30 FFEDLO Cc1[nH]ccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001096936717 1016760924 /nfs/dbraw/zinc/76/09/24/1016760924.db2.gz PLEWGNNJKQFUDY-LZQZEXGQSA-N 1 2 352.413 2.869 20 30 FFEDLO C[N@H+](CCCOc1ccccc1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793485097 1003384104 /nfs/dbraw/zinc/38/41/04/1003384104.db2.gz VHWWVTCWHDNOSI-UHFFFAOYSA-N 1 2 351.450 2.957 20 30 FFEDLO C[N@@H+](CCCOc1ccccc1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793485097 1003384114 /nfs/dbraw/zinc/38/41/14/1003384114.db2.gz VHWWVTCWHDNOSI-UHFFFAOYSA-N 1 2 351.450 2.957 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H](CNc2ncnc3c2C[N@H+](C)CC3)[C@H](C)C1 ZINC001092672410 1003395216 /nfs/dbraw/zinc/39/52/16/1003395216.db2.gz BXFQWUNKRKSCKZ-BRWVUGGUSA-N 1 2 371.529 2.573 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H](CNc2ncnc3c2C[N@@H+](C)CC3)[C@H](C)C1 ZINC001092672410 1003395223 /nfs/dbraw/zinc/39/52/23/1003395223.db2.gz BXFQWUNKRKSCKZ-BRWVUGGUSA-N 1 2 371.529 2.573 20 30 FFEDLO Cc1nnsc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC#Cc1ccccc1)C2 ZINC001110135703 1003494527 /nfs/dbraw/zinc/49/45/27/1003494527.db2.gz QNCJYBVZMFGABC-SQNIBIBYSA-N 1 2 366.490 2.510 20 30 FFEDLO Cc1nnsc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC#Cc1ccccc1)C2 ZINC001110135703 1003494533 /nfs/dbraw/zinc/49/45/33/1003494533.db2.gz QNCJYBVZMFGABC-SQNIBIBYSA-N 1 2 366.490 2.510 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)[C@H]1CCCCO1 ZINC001096964164 1016778714 /nfs/dbraw/zinc/77/87/14/1016778714.db2.gz JDIYOGBRVRMKLS-YSTOQKLRSA-N 1 2 372.896 2.982 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)[C@H]1CCCCO1 ZINC001096964164 1016778723 /nfs/dbraw/zinc/77/87/23/1016778723.db2.gz JDIYOGBRVRMKLS-YSTOQKLRSA-N 1 2 372.896 2.982 20 30 FFEDLO CCSCCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187017627 1003516570 /nfs/dbraw/zinc/51/65/70/1003516570.db2.gz ZCZNQNLXBRHPRB-MAUKXSAKSA-N 1 2 361.486 2.873 20 30 FFEDLO CCSCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187017627 1003516577 /nfs/dbraw/zinc/51/65/77/1003516577.db2.gz ZCZNQNLXBRHPRB-MAUKXSAKSA-N 1 2 361.486 2.873 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(OC)ccc1Cl ZINC001110390423 1003590978 /nfs/dbraw/zinc/59/09/78/1003590978.db2.gz MIOZTXHITLANEX-OLMNPRSZSA-N 1 2 364.873 2.773 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(OC)ccc1Cl ZINC001110390423 1003590990 /nfs/dbraw/zinc/59/09/90/1003590990.db2.gz MIOZTXHITLANEX-OLMNPRSZSA-N 1 2 364.873 2.773 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001086622509 1003649328 /nfs/dbraw/zinc/64/93/28/1003649328.db2.gz BGAPVHMZXWZSSO-DLBZAZTESA-N 1 2 357.841 2.738 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001086622509 1003649335 /nfs/dbraw/zinc/64/93/35/1003649335.db2.gz BGAPVHMZXWZSSO-DLBZAZTESA-N 1 2 357.841 2.738 20 30 FFEDLO Cc1noc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c1C ZINC001095592280 1016817881 /nfs/dbraw/zinc/81/78/81/1016817881.db2.gz LZOYSSVDLOVFHQ-SQNIBIBYSA-N 1 2 350.422 2.698 20 30 FFEDLO Cc1noc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c1C ZINC001095592280 1016817892 /nfs/dbraw/zinc/81/78/92/1016817892.db2.gz LZOYSSVDLOVFHQ-SQNIBIBYSA-N 1 2 350.422 2.698 20 30 FFEDLO Cc1ccc2[nH+]cc(CNS(=O)(=O)c3cc(Cl)ccc3C#N)n2c1 ZINC001196691071 1003934890 /nfs/dbraw/zinc/93/48/90/1003934890.db2.gz AELHHRWWLUTWRB-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO CC[C@@H](C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001197149013 1004101555 /nfs/dbraw/zinc/10/15/55/1004101555.db2.gz FLRKBVQADJCAKB-ATZDWAIDSA-N 1 2 362.901 2.679 20 30 FFEDLO CC[C@@H](C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001197149013 1004101558 /nfs/dbraw/zinc/10/15/58/1004101558.db2.gz FLRKBVQADJCAKB-ATZDWAIDSA-N 1 2 362.901 2.679 20 30 FFEDLO N#CCc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC001130372080 1004127651 /nfs/dbraw/zinc/12/76/51/1004127651.db2.gz KACATCSCFXWAQC-UHFFFAOYSA-N 1 2 361.361 2.777 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CC2)CCCCC1 ZINC001111441194 1016861221 /nfs/dbraw/zinc/86/12/21/1016861221.db2.gz AEPYMHUECVLCDM-QRVBRYPASA-N 1 2 373.541 2.761 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CC2)CCCCC1 ZINC001111441194 1016861235 /nfs/dbraw/zinc/86/12/35/1016861235.db2.gz AEPYMHUECVLCDM-QRVBRYPASA-N 1 2 373.541 2.761 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(C)c(C)c1 ZINC001110494482 1004314398 /nfs/dbraw/zinc/31/43/98/1004314398.db2.gz OLYIZRHREUDQCD-AQNXPRMDSA-N 1 2 367.493 2.767 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(C)c(C)c1 ZINC001110494482 1004314408 /nfs/dbraw/zinc/31/44/08/1004314408.db2.gz OLYIZRHREUDQCD-AQNXPRMDSA-N 1 2 367.493 2.767 20 30 FFEDLO CC[C@H](CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)C(C)(C)C ZINC001197742569 1004348348 /nfs/dbraw/zinc/34/83/48/1004348348.db2.gz FVIKUJFLBXLLNI-VAMGGRTRSA-N 1 2 356.510 2.662 20 30 FFEDLO CC[C@H](CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)C(C)(C)C ZINC001197742569 1004348354 /nfs/dbraw/zinc/34/83/54/1004348354.db2.gz FVIKUJFLBXLLNI-VAMGGRTRSA-N 1 2 356.510 2.662 20 30 FFEDLO CC[C@H](C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110456256 1004419220 /nfs/dbraw/zinc/41/92/20/1004419220.db2.gz VFZAUDAPNIINDJ-OBZTUIKSSA-N 1 2 358.457 2.714 20 30 FFEDLO CC[C@H](C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110456256 1004419226 /nfs/dbraw/zinc/41/92/26/1004419226.db2.gz VFZAUDAPNIINDJ-OBZTUIKSSA-N 1 2 358.457 2.714 20 30 FFEDLO CC[C@H](C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110456549 1004419979 /nfs/dbraw/zinc/41/99/79/1004419979.db2.gz XKYBWAIVHQRGHK-QVSURHGTSA-N 1 2 359.445 2.734 20 30 FFEDLO CC[C@H](C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110456549 1004419984 /nfs/dbraw/zinc/41/99/84/1004419984.db2.gz XKYBWAIVHQRGHK-QVSURHGTSA-N 1 2 359.445 2.734 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2sccc2Cl)C[C@H]1O ZINC001193258253 1004423296 /nfs/dbraw/zinc/42/32/96/1004423296.db2.gz CATBSVAJLOJGAN-VXGBXAGGSA-N 1 2 363.310 2.842 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2sccc2Cl)C[C@H]1O ZINC001193258253 1004423299 /nfs/dbraw/zinc/42/32/99/1004423299.db2.gz CATBSVAJLOJGAN-VXGBXAGGSA-N 1 2 363.310 2.842 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OC)C[C@H]1O ZINC001193344836 1004457055 /nfs/dbraw/zinc/45/70/55/1004457055.db2.gz FLWZXBYGZJDCKH-HZPDHXFCSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OC)C[C@H]1O ZINC001193344836 1004457059 /nfs/dbraw/zinc/45/70/59/1004457059.db2.gz FLWZXBYGZJDCKH-HZPDHXFCSA-N 1 2 366.889 2.612 20 30 FFEDLO N#Cc1cccc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1O ZINC001193647048 1004537722 /nfs/dbraw/zinc/53/77/22/1004537722.db2.gz ULZZMKXGHVWCJK-UHFFFAOYSA-N 1 2 361.445 2.927 20 30 FFEDLO N#Cc1cccc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)c1O ZINC001193647048 1004537726 /nfs/dbraw/zinc/53/77/26/1004537726.db2.gz ULZZMKXGHVWCJK-UHFFFAOYSA-N 1 2 361.445 2.927 20 30 FFEDLO COc1ccc(C#N)c(S(=O)(=O)N[C@@H](C)c2c[nH+]c3c(C)cccn23)c1 ZINC001193705625 1004562865 /nfs/dbraw/zinc/56/28/65/1004562865.db2.gz IDRDMJOXTQKCQH-ZDUSSCGKSA-N 1 2 370.434 2.563 20 30 FFEDLO C=CCOC(=O)Nc1cncnc1[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001194287275 1004707038 /nfs/dbraw/zinc/70/70/38/1004707038.db2.gz VSRMCNISPVSDQN-KRWDZBQOSA-N 1 2 354.410 2.785 20 30 FFEDLO C=CCOC(=O)Nc1cncnc1[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001194287275 1004707043 /nfs/dbraw/zinc/70/70/43/1004707043.db2.gz VSRMCNISPVSDQN-KRWDZBQOSA-N 1 2 354.410 2.785 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC001194551016 1004758297 /nfs/dbraw/zinc/75/82/97/1004758297.db2.gz CQLZCFMGUACIBC-HZPDHXFCSA-N 1 2 362.905 2.859 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC001194551016 1004758300 /nfs/dbraw/zinc/75/83/00/1004758300.db2.gz CQLZCFMGUACIBC-HZPDHXFCSA-N 1 2 362.905 2.859 20 30 FFEDLO CCCCC[C@@H](CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001198917507 1004778598 /nfs/dbraw/zinc/77/85/98/1004778598.db2.gz KKCMBOBLUBCFHZ-ZTFGCOKTSA-N 1 2 363.527 2.888 20 30 FFEDLO CCCCC[C@@H](CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001198917507 1004778602 /nfs/dbraw/zinc/77/86/02/1004778602.db2.gz KKCMBOBLUBCFHZ-ZTFGCOKTSA-N 1 2 363.527 2.888 20 30 FFEDLO CCCC[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)C(C)C ZINC001199155633 1004849584 /nfs/dbraw/zinc/84/95/84/1004849584.db2.gz UNLACINEPSXUSS-NJDAHSKKSA-N 1 2 356.510 2.662 20 30 FFEDLO CCCC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)C(C)C ZINC001199155633 1004849587 /nfs/dbraw/zinc/84/95/87/1004849587.db2.gz UNLACINEPSXUSS-NJDAHSKKSA-N 1 2 356.510 2.662 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC2CCCC2)C1 ZINC001199200846 1004865775 /nfs/dbraw/zinc/86/57/75/1004865775.db2.gz BSQZEGGAEJCHIC-WOJBJXKFSA-N 1 2 355.482 2.580 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC2CCCC2)C1 ZINC001199200846 1004865781 /nfs/dbraw/zinc/86/57/81/1004865781.db2.gz BSQZEGGAEJCHIC-WOJBJXKFSA-N 1 2 355.482 2.580 20 30 FFEDLO C=CCC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1O)c1ccccc1 ZINC001199567708 1004972052 /nfs/dbraw/zinc/97/20/52/1004972052.db2.gz YEFQWIIFXVVNBY-IPMKNSEASA-N 1 2 371.506 2.554 20 30 FFEDLO C=CCC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1O)c1ccccc1 ZINC001199567708 1004972057 /nfs/dbraw/zinc/97/20/57/1004972057.db2.gz YEFQWIIFXVVNBY-IPMKNSEASA-N 1 2 371.506 2.554 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)c2ccc(F)cc2F)C[C@H]1O ZINC001195482913 1004973785 /nfs/dbraw/zinc/97/37/85/1004973785.db2.gz DHDIYWHPOPLSBJ-CEXWTWQISA-N 1 2 364.436 2.771 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)c2ccc(F)cc2F)C[C@H]1O ZINC001195482913 1004973787 /nfs/dbraw/zinc/97/37/87/1004973787.db2.gz DHDIYWHPOPLSBJ-CEXWTWQISA-N 1 2 364.436 2.771 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCCC1 ZINC001110544123 1005053211 /nfs/dbraw/zinc/05/32/11/1005053211.db2.gz XSWVBGXCJLNLTC-QRVBRYPASA-N 1 2 373.541 2.596 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCCC1 ZINC001110544123 1005053219 /nfs/dbraw/zinc/05/32/19/1005053219.db2.gz XSWVBGXCJLNLTC-QRVBRYPASA-N 1 2 373.541 2.596 20 30 FFEDLO COCC1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)CC1 ZINC001110548679 1005092489 /nfs/dbraw/zinc/09/24/89/1005092489.db2.gz GUUWLTNWQGVFHR-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO COCC1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)CC1 ZINC001110548679 1005092495 /nfs/dbraw/zinc/09/24/95/1005092495.db2.gz GUUWLTNWQGVFHR-QRQLOZEOSA-N 1 2 371.456 2.736 20 30 FFEDLO Cc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1C#N ZINC001201325218 1005200408 /nfs/dbraw/zinc/20/04/08/1005200408.db2.gz YWTKOMUBPPYUOX-UHFFFAOYSA-N 1 2 352.419 2.531 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F)C1CC1 ZINC001110569395 1005258003 /nfs/dbraw/zinc/25/80/03/1005258003.db2.gz MLAHFPFLWMUHQE-LMCOJAPRSA-N 1 2 371.456 2.734 20 30 FFEDLO CCO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F)C1CC1 ZINC001110569395 1005258006 /nfs/dbraw/zinc/25/80/06/1005258006.db2.gz MLAHFPFLWMUHQE-LMCOJAPRSA-N 1 2 371.456 2.734 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C(F)C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001489116238 1005412525 /nfs/dbraw/zinc/41/25/25/1005412525.db2.gz MNTIGMRGNJFEKO-XQQFMLRXSA-N 1 2 363.380 2.989 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C(F)C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001489116238 1005412528 /nfs/dbraw/zinc/41/25/28/1005412528.db2.gz MNTIGMRGNJFEKO-XQQFMLRXSA-N 1 2 363.380 2.989 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](Cc2noc3c2COCC3)[C@@H]1CC ZINC001489132971 1005417275 /nfs/dbraw/zinc/41/72/75/1005417275.db2.gz NTLQWQGCWRPLRE-XAUMDUMWSA-N 1 2 361.486 2.819 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](Cc2noc3c2COCC3)[C@@H]1CC ZINC001489132971 1005417277 /nfs/dbraw/zinc/41/72/77/1005417277.db2.gz NTLQWQGCWRPLRE-XAUMDUMWSA-N 1 2 361.486 2.819 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2ccco2)[C@H]1C ZINC001489295339 1005452222 /nfs/dbraw/zinc/45/22/22/1005452222.db2.gz QZHGMOLMCRZPLP-KYOSRNDESA-N 1 2 355.276 2.946 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2ccco2)[C@H]1C ZINC001489295339 1005452223 /nfs/dbraw/zinc/45/22/23/1005452223.db2.gz QZHGMOLMCRZPLP-KYOSRNDESA-N 1 2 355.276 2.946 20 30 FFEDLO C=CCCCC(=O)N1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001489270468 1005456704 /nfs/dbraw/zinc/45/67/04/1005456704.db2.gz FKMZYPKILQGNEC-KBXCAEBGSA-N 1 2 352.438 2.592 20 30 FFEDLO C=C1CC(C)(C(=O)N(C)C[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001490142241 1005665233 /nfs/dbraw/zinc/66/52/33/1005665233.db2.gz XNNAJOBASCZHAQ-GVDBMIGSSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C1CC(C)(C(=O)N(C)C[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001490142241 1005665234 /nfs/dbraw/zinc/66/52/34/1005665234.db2.gz XNNAJOBASCZHAQ-GVDBMIGSSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnnn1-c1ccccc1 ZINC001110610621 1005670528 /nfs/dbraw/zinc/67/05/28/1005670528.db2.gz LBAGNTYEBQNAID-RLLQIKCJSA-N 1 2 365.481 2.845 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnnn1-c1ccccc1 ZINC001110610621 1005670529 /nfs/dbraw/zinc/67/05/29/1005670529.db2.gz LBAGNTYEBQNAID-RLLQIKCJSA-N 1 2 365.481 2.845 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C)OCC ZINC001110616779 1005764398 /nfs/dbraw/zinc/76/43/98/1005764398.db2.gz QHXZDUZRGBWSGG-ZAWLATJESA-N 1 2 361.486 2.884 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C)OCC ZINC001110616779 1005764399 /nfs/dbraw/zinc/76/43/99/1005764399.db2.gz QHXZDUZRGBWSGG-ZAWLATJESA-N 1 2 361.486 2.884 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@@H](C)C(=O)Nc2cccc(N3CCCC3)c2)nn1 ZINC000850110637 1005786598 /nfs/dbraw/zinc/78/65/98/1005786598.db2.gz FKUAPHXMFULOIY-INIZCTEOSA-N 1 2 368.485 2.571 20 30 FFEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@@H](O)COCc2ccccc2F)C1 ZINC000852325621 1005977479 /nfs/dbraw/zinc/97/74/79/1005977479.db2.gz IOSNCNRUTLGGHA-WIYYLYMNSA-N 1 2 369.440 2.656 20 30 FFEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@@H](O)COCc2ccccc2F)C1 ZINC000852325621 1005977489 /nfs/dbraw/zinc/97/74/89/1005977489.db2.gz IOSNCNRUTLGGHA-WIYYLYMNSA-N 1 2 369.440 2.656 20 30 FFEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](C[C@@H](O)COCc2ccccc2F)C1 ZINC000852325619 1005977810 /nfs/dbraw/zinc/97/78/10/1005977810.db2.gz IOSNCNRUTLGGHA-NQIIRXRSSA-N 1 2 369.440 2.656 20 30 FFEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](C[C@@H](O)COCc2ccccc2F)C1 ZINC000852325619 1005977819 /nfs/dbraw/zinc/97/78/19/1005977819.db2.gz IOSNCNRUTLGGHA-NQIIRXRSSA-N 1 2 369.440 2.656 20 30 FFEDLO N#Cc1sccc1N1CC[NH+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000852341945 1005985975 /nfs/dbraw/zinc/98/59/75/1005985975.db2.gz AQTKFXPWWJUMLY-MRXNPFEDSA-N 1 2 368.462 2.767 20 30 FFEDLO C#C[C@@H](NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C1CCOCC1 ZINC000852359277 1005992263 /nfs/dbraw/zinc/99/22/63/1005992263.db2.gz OUHZVFPBTBRMSU-QGZVFWFLSA-N 1 2 372.856 2.753 20 30 FFEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(NC(=O)OC(C)(C)C)c2)nn1 ZINC000881360587 1006062452 /nfs/dbraw/zinc/06/24/52/1006062452.db2.gz SGTYNFQFUVRFLV-UHFFFAOYSA-N 1 2 355.442 2.786 20 30 FFEDLO N#Cc1ncc(NCCN(Cc2ccccc2)c2cccc[nH+]2)nc1C#N ZINC001187534080 1006130914 /nfs/dbraw/zinc/13/09/14/1006130914.db2.gz OJNNOYJXWZPJEJ-UHFFFAOYSA-N 1 2 355.405 2.734 20 30 FFEDLO CO[C@H](C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187614233 1006171232 /nfs/dbraw/zinc/17/12/32/1006171232.db2.gz WYTAILOGEFZVAO-SIXWZSSISA-N 1 2 359.445 2.545 20 30 FFEDLO CO[C@H](C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187614233 1006171242 /nfs/dbraw/zinc/17/12/42/1006171242.db2.gz WYTAILOGEFZVAO-SIXWZSSISA-N 1 2 359.445 2.545 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(CS(=O)(=O)NC)cc1 ZINC000853106994 1006298975 /nfs/dbraw/zinc/29/89/75/1006298975.db2.gz MLWQKSIRISGCLT-UHFFFAOYSA-N 1 2 373.478 2.535 20 30 FFEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCCC2(O)CCC2)cc1 ZINC000853688774 1006505243 /nfs/dbraw/zinc/50/52/43/1006505243.db2.gz HGMUMCFUBXGWKK-UHFFFAOYSA-N 1 2 363.458 2.653 20 30 FFEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]O[C@H]2COC(C)(C)C2)cc1 ZINC000853689781 1006506580 /nfs/dbraw/zinc/50/65/80/1006506580.db2.gz XBLYRHKHBMRHJU-OAHLLOKOSA-N 1 2 363.458 2.916 20 30 FFEDLO Cn1cc(-c2cc3c(nn2)CC[N@H+](CC#Cc2cccc(Cl)c2)C3)cn1 ZINC000854128136 1006695232 /nfs/dbraw/zinc/69/52/32/1006695232.db2.gz BGZGAXYVJZAULH-UHFFFAOYSA-N 1 2 363.852 2.940 20 30 FFEDLO Cn1cc(-c2cc3c(nn2)CC[N@@H+](CC#Cc2cccc(Cl)c2)C3)cn1 ZINC000854128136 1006695239 /nfs/dbraw/zinc/69/52/39/1006695239.db2.gz BGZGAXYVJZAULH-UHFFFAOYSA-N 1 2 363.852 2.940 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc([C@@]3(C#N)CCCOC3)n2)O1 ZINC000867045244 1006763286 /nfs/dbraw/zinc/76/32/86/1006763286.db2.gz BKNAJXQWBGYMCS-WRWLIDTKSA-N 1 2 368.437 2.603 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc([C@@]3(C#N)CCCOC3)n2)O1 ZINC000867045244 1006763295 /nfs/dbraw/zinc/76/32/95/1006763295.db2.gz BKNAJXQWBGYMCS-WRWLIDTKSA-N 1 2 368.437 2.603 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3nnc(-c4ccco4)o3)C[C@H]21 ZINC001188897034 1006791981 /nfs/dbraw/zinc/79/19/81/1006791981.db2.gz RCKYKLXZUWWMNB-HRCADAONSA-N 1 2 370.453 2.965 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(-c4ccco4)o3)C[C@H]21 ZINC001188897034 1006791993 /nfs/dbraw/zinc/79/19/93/1006791993.db2.gz RCKYKLXZUWWMNB-HRCADAONSA-N 1 2 370.453 2.965 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4ccco4)no3)C[C@H]21 ZINC001188908896 1006799741 /nfs/dbraw/zinc/79/97/41/1006799741.db2.gz LATCNUSVLIGAHC-OWCLPIDISA-N 1 2 370.453 2.965 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4ccco4)no3)C[C@H]21 ZINC001188908896 1006799754 /nfs/dbraw/zinc/79/97/54/1006799754.db2.gz LATCNUSVLIGAHC-OWCLPIDISA-N 1 2 370.453 2.965 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)c2cc3ccc(N(CC)CC)cc3oc2=O)CC1 ZINC001152550049 1032189656 /nfs/dbraw/zinc/18/96/56/1032189656.db2.gz FGVNRSQYCLEAOK-UHFFFAOYSA-N 1 2 369.465 2.583 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000112968845 1007100990 /nfs/dbraw/zinc/10/09/90/1007100990.db2.gz SOPMNRNWXOOUGQ-UHFFFAOYSA-N 1 2 354.366 2.591 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000884062408 1007199284 /nfs/dbraw/zinc/19/92/84/1007199284.db2.gz POKSIYZDFXRFFV-ZWKOTPCHSA-N 1 2 360.454 2.586 20 30 FFEDLO CC(=O)c1ccc(N2CC[NH+](C[C@H](O)CC3(C#N)CCC3)CC2)c(F)c1 ZINC000885949254 1007847681 /nfs/dbraw/zinc/84/76/81/1007847681.db2.gz RQEHWFYINPSJML-QGZVFWFLSA-N 1 2 359.445 2.595 20 30 FFEDLO CO/C(=C\c1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000856718437 1007959528 /nfs/dbraw/zinc/95/95/28/1007959528.db2.gz PKLNWXSGLFPLPI-QNGOZBTKSA-N 1 2 361.445 2.890 20 30 FFEDLO CN(Cc1ccccc1)c1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000819420046 1008144444 /nfs/dbraw/zinc/14/44/44/1008144444.db2.gz PKPBERGEUVULPX-OAQYLSRUSA-N 1 2 352.482 2.941 20 30 FFEDLO CN(Cc1ccccc1)c1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000819420046 1008144449 /nfs/dbraw/zinc/14/44/49/1008144449.db2.gz PKPBERGEUVULPX-OAQYLSRUSA-N 1 2 352.482 2.941 20 30 FFEDLO CCCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206464661 1032292505 /nfs/dbraw/zinc/29/25/05/1032292505.db2.gz FHLVYNYIGKQUOX-SPYBWZPUSA-N 1 2 361.461 2.839 20 30 FFEDLO CCCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206464661 1032292516 /nfs/dbraw/zinc/29/25/16/1032292516.db2.gz FHLVYNYIGKQUOX-SPYBWZPUSA-N 1 2 361.461 2.839 20 30 FFEDLO CCCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206464666 1032293361 /nfs/dbraw/zinc/29/33/61/1032293361.db2.gz FHLVYNYIGKQUOX-ZRGWGRIASA-N 1 2 361.461 2.839 20 30 FFEDLO CCCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206464666 1032293370 /nfs/dbraw/zinc/29/33/70/1032293370.db2.gz FHLVYNYIGKQUOX-ZRGWGRIASA-N 1 2 361.461 2.839 20 30 FFEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1nc(SC)ncc1C#N ZINC001206483471 1032305768 /nfs/dbraw/zinc/30/57/68/1032305768.db2.gz RZKJNUZJNAVQSB-UHFFFAOYSA-N 1 2 356.451 2.578 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001206479288 1032305898 /nfs/dbraw/zinc/30/58/98/1032305898.db2.gz MYHZHJGKCOQLAQ-IIAWOOMASA-N 1 2 351.878 2.653 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001206479288 1032305904 /nfs/dbraw/zinc/30/59/04/1032305904.db2.gz MYHZHJGKCOQLAQ-IIAWOOMASA-N 1 2 351.878 2.653 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)c1c(C)n[nH]c1C)C2 ZINC001110744586 1008344569 /nfs/dbraw/zinc/34/45/69/1008344569.db2.gz HAELLFQSTHCZOM-KCXZSRPNSA-N 1 2 350.894 2.994 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)c1c(C)n[nH]c1C)C2 ZINC001110744586 1008344571 /nfs/dbraw/zinc/34/45/71/1008344571.db2.gz HAELLFQSTHCZOM-KCXZSRPNSA-N 1 2 350.894 2.994 20 30 FFEDLO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)/C=C/c2ccc(F)cc2)C[C@@H](C)O1 ZINC001136421958 1008426063 /nfs/dbraw/zinc/42/60/63/1008426063.db2.gz HWGXRNKJYALFBV-DVUAIPLNSA-N 1 2 374.456 2.508 20 30 FFEDLO C#CC[C@@H](CCOC)NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000859022326 1008466190 /nfs/dbraw/zinc/46/61/90/1008466190.db2.gz MWPGNZKNIWOTPE-IBGZPJMESA-N 1 2 372.513 2.758 20 30 FFEDLO C[C@H]1CC[N@H+](CCOc2ccccc2C#N)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805787091 1008595658 /nfs/dbraw/zinc/59/56/58/1008595658.db2.gz GPGVKLAVAOTSNS-XEZPLFJOSA-N 1 2 369.387 2.714 20 30 FFEDLO C[C@H]1CC[N@@H+](CCOc2ccccc2C#N)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805787091 1008595667 /nfs/dbraw/zinc/59/56/67/1008595667.db2.gz GPGVKLAVAOTSNS-XEZPLFJOSA-N 1 2 369.387 2.714 20 30 FFEDLO N#Cc1ccc(C2(C(=O)N3CCC[C@H]3C[NH+]3CCOCC3)CCCC2)cc1 ZINC000859662357 1008610458 /nfs/dbraw/zinc/61/04/58/1008610458.db2.gz WTDBKMUIVXFFJK-FQEVSTJZSA-N 1 2 367.493 2.693 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)OCC)C2)c1 ZINC001136596685 1008675259 /nfs/dbraw/zinc/67/52/59/1008675259.db2.gz QBSYMELRLPPGEC-INIZCTEOSA-N 1 2 360.454 2.855 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)OCC)C2)c1 ZINC001136596685 1008675266 /nfs/dbraw/zinc/67/52/66/1008675266.db2.gz QBSYMELRLPPGEC-INIZCTEOSA-N 1 2 360.454 2.855 20 30 FFEDLO N#Cc1ccc([C@H](O)CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000860013461 1008780237 /nfs/dbraw/zinc/78/02/37/1008780237.db2.gz PUIUTPLAJGPZDV-JOCHJYFZSA-N 1 2 360.461 2.891 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1C#N ZINC000860097385 1008830664 /nfs/dbraw/zinc/83/06/64/1008830664.db2.gz SJRJYBLVFGXKPF-CYBMUJFWSA-N 1 2 361.442 2.690 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1C#N ZINC000860097385 1008830688 /nfs/dbraw/zinc/83/06/88/1008830688.db2.gz SJRJYBLVFGXKPF-CYBMUJFWSA-N 1 2 361.442 2.690 20 30 FFEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2ccnn2CC2CCCCC2)CC1 ZINC000886774583 1008874340 /nfs/dbraw/zinc/87/43/40/1008874340.db2.gz QLBSBLURIQNURM-UHFFFAOYSA-N 1 2 360.502 2.805 20 30 FFEDLO CCOC(=O)CCCc1[nH+]c2cc(Nc3ccnc(C#N)c3)ccc2n1C ZINC001206627032 1032369987 /nfs/dbraw/zinc/36/99/87/1032369987.db2.gz KAHZEMUSWWMQEY-UHFFFAOYSA-N 1 2 363.421 2.891 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C[C@H]1C ZINC001206662133 1032377469 /nfs/dbraw/zinc/37/74/69/1032377469.db2.gz ARTOCHACYDOMFY-OGHNNQOOSA-N 1 2 356.401 2.577 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C[C@H]1C ZINC001206662133 1032377479 /nfs/dbraw/zinc/37/74/79/1032377479.db2.gz ARTOCHACYDOMFY-OGHNNQOOSA-N 1 2 356.401 2.577 20 30 FFEDLO COc1cc(C#N)c(F)cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001178994311 1009217855 /nfs/dbraw/zinc/21/78/55/1009217855.db2.gz WQTDESSCONAHJH-LJQANCHMSA-N 1 2 369.396 2.545 20 30 FFEDLO COc1cc(C#N)c(F)cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001178994311 1009217862 /nfs/dbraw/zinc/21/78/62/1009217862.db2.gz WQTDESSCONAHJH-LJQANCHMSA-N 1 2 369.396 2.545 20 30 FFEDLO C=C1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3nc(C(F)F)no3)C[C@H]2C)CC1 ZINC001092940147 1009488849 /nfs/dbraw/zinc/48/88/49/1009488849.db2.gz IORMNMSOBGIERI-TZMCWYRMSA-N 1 2 368.428 2.938 20 30 FFEDLO C=C1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3nc(C(F)F)no3)C[C@H]2C)CC1 ZINC001092940147 1009488858 /nfs/dbraw/zinc/48/88/58/1009488858.db2.gz IORMNMSOBGIERI-TZMCWYRMSA-N 1 2 368.428 2.938 20 30 FFEDLO Cc1ncsc1C[NH+]1CC2(CN(C(=O)[C@@H](C)c3ccc(C#N)cc3)C2)C1 ZINC001274173561 1009561600 /nfs/dbraw/zinc/56/16/00/1009561600.db2.gz XEDPFNHMHVNUSK-AWEZNQCLSA-N 1 2 366.490 2.771 20 30 FFEDLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000887772718 1009578677 /nfs/dbraw/zinc/57/86/77/1009578677.db2.gz ZNEFIFZXXNOZEY-SFHVURJKSA-N 1 2 365.433 2.796 20 30 FFEDLO C[C@H]1C[N@H+](CCNC(=O)C2(c3ccc(C#N)cc3)CCCC2)[C@@H](C)CO1 ZINC000862171771 1009730318 /nfs/dbraw/zinc/73/03/18/1009730318.db2.gz QOJPENQRPQDTMI-IRXDYDNUSA-N 1 2 355.482 2.595 20 30 FFEDLO C[C@H]1C[N@@H+](CCNC(=O)C2(c3ccc(C#N)cc3)CCCC2)[C@@H](C)CO1 ZINC000862171771 1009730330 /nfs/dbraw/zinc/73/03/30/1009730330.db2.gz QOJPENQRPQDTMI-IRXDYDNUSA-N 1 2 355.482 2.595 20 30 FFEDLO Cc1cnccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001095393948 1009781969 /nfs/dbraw/zinc/78/19/69/1009781969.db2.gz QTINRJNPLXAGRJ-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cnccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001095393948 1009781977 /nfs/dbraw/zinc/78/19/77/1009781977.db2.gz QTINRJNPLXAGRJ-UXPWSPDFSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cc(N2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001093084650 1009806602 /nfs/dbraw/zinc/80/66/02/1009806602.db2.gz RRKTYRSBFBLLNP-UWJYYQICSA-N 1 2 352.482 2.797 20 30 FFEDLO C=CC[NH+]1CCN(C(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 ZINC001180698490 1009807795 /nfs/dbraw/zinc/80/77/95/1009807795.db2.gz UQFPJHDWIMNGQG-INIZCTEOSA-N 1 2 353.507 2.646 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001180783593 1009847979 /nfs/dbraw/zinc/84/79/79/1009847979.db2.gz WFBWZOAUVHHHMH-INIZCTEOSA-N 1 2 369.425 2.677 20 30 FFEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c(F)cncc3F)C2)C1 ZINC001206855972 1032459206 /nfs/dbraw/zinc/45/92/06/1032459206.db2.gz RGSFRAJYGDIEOL-GOSISDBHSA-N 1 2 351.397 2.970 20 30 FFEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3c(F)cncc3F)C2)C1 ZINC001206855972 1032459207 /nfs/dbraw/zinc/45/92/07/1032459207.db2.gz RGSFRAJYGDIEOL-GOSISDBHSA-N 1 2 351.397 2.970 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2c(C)cccc2C)C[C@H]1C ZINC001206884999 1032479912 /nfs/dbraw/zinc/47/99/12/1032479912.db2.gz OROHXGQYMHYOOH-RTBURBONSA-N 1 2 369.509 2.872 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2c(C)cccc2C)C[C@H]1C ZINC001206884999 1032479915 /nfs/dbraw/zinc/47/99/15/1032479915.db2.gz OROHXGQYMHYOOH-RTBURBONSA-N 1 2 369.509 2.872 20 30 FFEDLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC(C)=O)C3)cc1C#N ZINC001110286930 1010543528 /nfs/dbraw/zinc/54/35/28/1010543528.db2.gz GLGGEOQYDARUTA-QRVBRYPASA-N 1 2 369.465 2.548 20 30 FFEDLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC(C)=O)C3)cc1C#N ZINC001110286930 1010543536 /nfs/dbraw/zinc/54/35/36/1010543536.db2.gz GLGGEOQYDARUTA-QRVBRYPASA-N 1 2 369.465 2.548 20 30 FFEDLO CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cccc(C#N)c3O)C2)ncn1 ZINC000866296075 1010973296 /nfs/dbraw/zinc/97/32/96/1010973296.db2.gz OLQQLFXVCFTFSB-WMLDXEAASA-N 1 2 351.454 2.936 20 30 FFEDLO C[C@H]([NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1)c1cccc(C#N)c1O ZINC000866527901 1011011454 /nfs/dbraw/zinc/01/14/54/1011011454.db2.gz QYXKLEKCBHJNKD-AWEZNQCLSA-N 1 2 359.470 2.721 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001110859702 1011254790 /nfs/dbraw/zinc/25/47/90/1011254790.db2.gz JTVUFAOIABJLKX-JEWRLFTDSA-N 1 2 363.527 2.902 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001110859702 1011254809 /nfs/dbraw/zinc/25/48/09/1011254809.db2.gz JTVUFAOIABJLKX-JEWRLFTDSA-N 1 2 363.527 2.902 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001110860413 1011255928 /nfs/dbraw/zinc/25/59/28/1011255928.db2.gz ZPETUUSVBMHCGN-FTEYMNFISA-N 1 2 361.461 2.671 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001110860413 1011255939 /nfs/dbraw/zinc/25/59/39/1011255939.db2.gz ZPETUUSVBMHCGN-FTEYMNFISA-N 1 2 361.461 2.671 20 30 FFEDLO C#CC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1)C(=O)OC ZINC001171593025 1011377576 /nfs/dbraw/zinc/37/75/76/1011377576.db2.gz IANBONAGIRNNKQ-OWCLPIDISA-N 1 2 366.502 2.955 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001094834881 1011407323 /nfs/dbraw/zinc/40/73/23/1011407323.db2.gz AMLOGEPNNJTUND-WMZOPIPTSA-N 1 2 358.486 2.952 20 30 FFEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCOC[C@@H]1CNC(=O)OC(C)(C)C ZINC001172311672 1011740182 /nfs/dbraw/zinc/74/01/82/1011740182.db2.gz VSPFOMOTMDJFRK-YJBOKZPZSA-N 1 2 359.470 2.715 20 30 FFEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCOC[C@@H]1CNC(=O)OC(C)(C)C ZINC001172311672 1011740200 /nfs/dbraw/zinc/74/02/00/1011740200.db2.gz VSPFOMOTMDJFRK-YJBOKZPZSA-N 1 2 359.470 2.715 20 30 FFEDLO CCCCCCC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001274928369 1011753692 /nfs/dbraw/zinc/75/36/92/1011753692.db2.gz FOVJKCPVXWAQBU-KURKYZTESA-N 1 2 351.535 2.746 20 30 FFEDLO CCCCCCC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001274928369 1011753696 /nfs/dbraw/zinc/75/36/96/1011753696.db2.gz FOVJKCPVXWAQBU-KURKYZTESA-N 1 2 351.535 2.746 20 30 FFEDLO C#CC(C)(C)C(=O)N1CCC2(C[NH+](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC001274982553 1011792339 /nfs/dbraw/zinc/79/23/39/1011792339.db2.gz VRNHMNRHOOOLEO-UHFFFAOYSA-N 1 2 350.466 2.647 20 30 FFEDLO C=CCCCC[N@@H+]1C[C@]2(F)CN(Cc3cccc(C#N)c3)C(=O)[C@]2(F)C1 ZINC001276345618 1012091124 /nfs/dbraw/zinc/09/11/24/1012091124.db2.gz FQSBRLACYOOXHY-VQTJNVASSA-N 1 2 359.420 2.989 20 30 FFEDLO C=CCCCC[N@H+]1C[C@]2(F)CN(Cc3cccc(C#N)c3)C(=O)[C@]2(F)C1 ZINC001276345618 1012091147 /nfs/dbraw/zinc/09/11/47/1012091147.db2.gz FQSBRLACYOOXHY-VQTJNVASSA-N 1 2 359.420 2.989 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ncc(Cl)cn2)C[C@H]1C#N ZINC001172976039 1012144990 /nfs/dbraw/zinc/14/49/90/1012144990.db2.gz LCHMQMFFIRPXRU-STQMWFEESA-N 1 2 351.838 2.511 20 30 FFEDLO COc1cccc(C[NH+]2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c1 ZINC000870154725 1012215898 /nfs/dbraw/zinc/21/58/98/1012215898.db2.gz GJVWRIZISIBFLZ-UHFFFAOYSA-N 1 2 363.461 2.844 20 30 FFEDLO N#CCCCN1C[C@@]2(F)C[N@@H+](Cc3cccc4[nH]ccc43)C[C@@]2(F)C1=O ZINC001275315854 1012280112 /nfs/dbraw/zinc/28/01/12/1012280112.db2.gz PRBJUWMKXYWKQZ-RBUKOAKNSA-N 1 2 358.392 2.546 20 30 FFEDLO N#CCCCN1C[C@@]2(F)C[N@H+](Cc3cccc4[nH]ccc43)C[C@@]2(F)C1=O ZINC001275315854 1012280121 /nfs/dbraw/zinc/28/01/21/1012280121.db2.gz PRBJUWMKXYWKQZ-RBUKOAKNSA-N 1 2 358.392 2.546 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccns4)C[C@H]32)CCOCC1 ZINC001221985105 1032616541 /nfs/dbraw/zinc/61/65/41/1032616541.db2.gz KSCXQCPJOLRIRH-NVXWUHKLSA-N 1 2 361.511 2.549 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccns4)C[C@H]32)CCOCC1 ZINC001221985105 1032616550 /nfs/dbraw/zinc/61/65/50/1032616550.db2.gz KSCXQCPJOLRIRH-NVXWUHKLSA-N 1 2 361.511 2.549 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cnccc1C(F)(F)F ZINC001275356434 1012358545 /nfs/dbraw/zinc/35/85/45/1012358545.db2.gz HRBPHRZLBCMQMG-QGZVFWFLSA-N 1 2 351.372 2.691 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cnccc1C(F)(F)F ZINC001275356434 1012358558 /nfs/dbraw/zinc/35/85/58/1012358558.db2.gz HRBPHRZLBCMQMG-QGZVFWFLSA-N 1 2 351.372 2.691 20 30 FFEDLO C=CCOC(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CCC(CC#N)CC1 ZINC001173334679 1012448815 /nfs/dbraw/zinc/44/88/15/1012448815.db2.gz ZPUQHXGWCHLAMZ-GPANFISMSA-N 1 2 350.459 2.878 20 30 FFEDLO C#CCN1C(=O)COCC12C[NH+](Cc1ccc(-c3ccc(Cl)cc3)o1)C2 ZINC001275564785 1012624008 /nfs/dbraw/zinc/62/40/08/1012624008.db2.gz TXQSRRZFAKJGJK-UHFFFAOYSA-N 1 2 370.836 2.646 20 30 FFEDLO Cc1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2cccc(Cl)c2)[nH]1 ZINC001095243374 1012833645 /nfs/dbraw/zinc/83/36/45/1012833645.db2.gz FTXUSRUYFZADFZ-AOIWGVFYSA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2cccc(Cl)c2)[nH]1 ZINC001095243374 1012833663 /nfs/dbraw/zinc/83/36/63/1012833663.db2.gz FTXUSRUYFZADFZ-AOIWGVFYSA-N 1 2 368.868 2.758 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCCc3nc(C(C)C)no3)[C@@H]2C1 ZINC001222018280 1032661266 /nfs/dbraw/zinc/66/12/66/1032661266.db2.gz VPJDDQIGBLWOSD-HUUCEWRRSA-N 1 2 366.893 2.801 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCc3nc(C(C)C)no3)[C@@H]2C1 ZINC001222018280 1032661276 /nfs/dbraw/zinc/66/12/76/1032661276.db2.gz VPJDDQIGBLWOSD-HUUCEWRRSA-N 1 2 366.893 2.801 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccncc1F)C2 ZINC001095261072 1012993457 /nfs/dbraw/zinc/99/34/57/1012993457.db2.gz BWYHMKWMWWRWLR-MNEFBYGVSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccncc1F)C2 ZINC001095261072 1012993468 /nfs/dbraw/zinc/99/34/68/1012993468.db2.gz BWYHMKWMWWRWLR-MNEFBYGVSA-N 1 2 350.397 2.628 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cc(C)[nH+]c(CC)n2)cc1 ZINC001055165048 1017096507 /nfs/dbraw/zinc/09/65/07/1017096507.db2.gz PCAGBXQJGXZXEI-QYZOEREBSA-N 1 2 360.461 2.868 20 30 FFEDLO CCC[C@@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110887627 1017203380 /nfs/dbraw/zinc/20/33/80/1017203380.db2.gz RBHPLJVPTRIABO-OQIJWPOYSA-N 1 2 359.445 2.734 20 30 FFEDLO CCC[C@@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110887627 1017203389 /nfs/dbraw/zinc/20/33/89/1017203389.db2.gz RBHPLJVPTRIABO-OQIJWPOYSA-N 1 2 359.445 2.734 20 30 FFEDLO Cc1cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc4c[nH+]ccc4[nH]2)C3)c(C#N)cn1 ZINC001055249219 1017214395 /nfs/dbraw/zinc/21/43/95/1017214395.db2.gz UHJSZJANCCKKEO-AYBZRNKSSA-N 1 2 372.432 2.678 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC(C)C)C[C@H]32)CCCCC1 ZINC001222040150 1032689915 /nfs/dbraw/zinc/68/99/15/1032689915.db2.gz MTIHEJBRSZMXOY-QZTJIDSGSA-N 1 2 361.530 2.570 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](CC(=O)NC(C)C)C[C@H]32)CCCCC1 ZINC001222040150 1032689919 /nfs/dbraw/zinc/68/99/19/1032689919.db2.gz MTIHEJBRSZMXOY-QZTJIDSGSA-N 1 2 361.530 2.570 20 30 FFEDLO N#CCN1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC001217382844 1032715641 /nfs/dbraw/zinc/71/56/41/1032715641.db2.gz PGMGUTTWOIDEAM-UHFFFAOYSA-N 1 2 364.453 2.559 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)c1csnn1 ZINC001097590577 1017680611 /nfs/dbraw/zinc/68/06/11/1017680611.db2.gz CKHCYWOCVQLYMX-INMHGKMJSA-N 1 2 372.881 2.578 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)c1csnn1 ZINC001097590577 1017680616 /nfs/dbraw/zinc/68/06/16/1017680616.db2.gz CKHCYWOCVQLYMX-INMHGKMJSA-N 1 2 372.881 2.578 20 30 FFEDLO Cc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001097751667 1017907595 /nfs/dbraw/zinc/90/75/95/1017907595.db2.gz COUPUBPSPSDWAB-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001097751667 1017907608 /nfs/dbraw/zinc/90/76/08/1017907608.db2.gz COUPUBPSPSDWAB-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(C)(C)C)nn1C)C2 ZINC001097784160 1017925524 /nfs/dbraw/zinc/92/55/24/1017925524.db2.gz GZYDPNWHBCOYGH-MCIONIFRSA-N 1 2 350.894 2.805 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(C)(C)C)nn1C)C2 ZINC001097784160 1017925535 /nfs/dbraw/zinc/92/55/35/1017925535.db2.gz GZYDPNWHBCOYGH-MCIONIFRSA-N 1 2 350.894 2.805 20 30 FFEDLO Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)ccn1C ZINC001097801854 1017948834 /nfs/dbraw/zinc/94/88/34/1017948834.db2.gz LUQLXZFBVZWBNO-AHRSYUTCSA-N 1 2 366.440 2.880 20 30 FFEDLO Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)ccn1C ZINC001097801854 1017948844 /nfs/dbraw/zinc/94/88/44/1017948844.db2.gz LUQLXZFBVZWBNO-AHRSYUTCSA-N 1 2 366.440 2.880 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(F)cc(F)c2)c1 ZINC001097813137 1017977520 /nfs/dbraw/zinc/97/75/20/1017977520.db2.gz POBILCXLEKIXGC-AQNXPRMDSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(F)cc(F)c2)c1 ZINC001097813137 1017977530 /nfs/dbraw/zinc/97/75/30/1017977530.db2.gz POBILCXLEKIXGC-AQNXPRMDSA-N 1 2 367.399 2.876 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3nsc4ccccc34)C[C@H]21 ZINC001222071887 1032735599 /nfs/dbraw/zinc/73/55/99/1032735599.db2.gz IPXAYXAZCVTLLE-HDMKZQKVSA-N 1 2 371.506 2.920 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3nsc4ccccc34)C[C@H]21 ZINC001222071887 1032735612 /nfs/dbraw/zinc/73/56/12/1032735612.db2.gz IPXAYXAZCVTLLE-HDMKZQKVSA-N 1 2 371.506 2.920 20 30 FFEDLO CC(C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cccc(F)c2C#N)C1 ZINC001052714508 1018052549 /nfs/dbraw/zinc/05/25/49/1018052549.db2.gz SJKKODXSHGJARD-CRAIPNDOSA-N 1 2 369.444 2.883 20 30 FFEDLO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1)c1cccc(C#N)c1O ZINC000926628168 1018188164 /nfs/dbraw/zinc/18/81/64/1018188164.db2.gz SVNRHBJLKDZGKP-HQRMLTQVSA-N 1 2 364.449 2.919 20 30 FFEDLO N#CCOc1ccc(CC(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000927091670 1018356193 /nfs/dbraw/zinc/35/61/93/1018356193.db2.gz CFQKMBWCZVENOM-UHFFFAOYSA-N 1 2 350.422 2.630 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001042600279 1019081350 /nfs/dbraw/zinc/08/13/50/1019081350.db2.gz RRAWPMGZXZXFSL-CXAGYDPISA-N 1 2 353.470 2.644 20 30 FFEDLO Cc1cccn2cc(CC(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)[nH+]c12 ZINC000928723807 1019099458 /nfs/dbraw/zinc/09/94/58/1019099458.db2.gz ZZCMEVUMPKTJKV-QGZVFWFLSA-N 1 2 374.448 2.555 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001067799734 1019137409 /nfs/dbraw/zinc/13/74/09/1019137409.db2.gz JPMONRYPCWWJHX-KURKYZTESA-N 1 2 370.497 2.681 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)nc1C(C)(C)C)C2 ZINC001096188989 1019280790 /nfs/dbraw/zinc/28/07/90/1019280790.db2.gz YKMUMAXYQZQPAA-SNPRPXQTSA-N 1 2 350.894 2.805 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)nc1C(C)(C)C)C2 ZINC001096188989 1019280801 /nfs/dbraw/zinc/28/08/01/1019280801.db2.gz YKMUMAXYQZQPAA-SNPRPXQTSA-N 1 2 350.894 2.805 20 30 FFEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cnn(CCF)c2)CC1 ZINC000929426863 1019423598 /nfs/dbraw/zinc/42/35/98/1019423598.db2.gz OQKHZXKQAATZPP-UHFFFAOYSA-N 1 2 364.428 2.595 20 30 FFEDLO CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1Nc1cccc(F)c1C#N ZINC001069628077 1019528258 /nfs/dbraw/zinc/52/82/58/1019528258.db2.gz WINYNQRIUFGRKF-VFVRVIDISA-N 1 2 367.428 2.873 20 30 FFEDLO CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1Nc1cccc(F)c1C#N ZINC001069628077 1019528273 /nfs/dbraw/zinc/52/82/73/1019528273.db2.gz WINYNQRIUFGRKF-VFVRVIDISA-N 1 2 367.428 2.873 20 30 FFEDLO C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001043611186 1019538793 /nfs/dbraw/zinc/53/87/93/1019538793.db2.gz WARRCKHOIQPGHQ-RHSMWYFYSA-N 1 2 352.438 2.922 20 30 FFEDLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2cccc(Cl)c2)CCOC1 ZINC001096244833 1019580950 /nfs/dbraw/zinc/58/09/50/1019580950.db2.gz ZEZPLPMBPXCYRL-XODKDNOYSA-N 1 2 372.896 2.840 20 30 FFEDLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2cccc(Cl)c2)CCOC1 ZINC001096244833 1019580966 /nfs/dbraw/zinc/58/09/66/1019580966.db2.gz ZEZPLPMBPXCYRL-XODKDNOYSA-N 1 2 372.896 2.840 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2c(C)nn(C)c2Cl)C1 ZINC001095983360 1019696836 /nfs/dbraw/zinc/69/68/36/1019696836.db2.gz XIWKKCWMXJZUOA-KBMXLJTQSA-N 1 2 362.905 2.960 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2c(C)nn(C)c2Cl)C1 ZINC001095983360 1019696841 /nfs/dbraw/zinc/69/68/41/1019696841.db2.gz XIWKKCWMXJZUOA-KBMXLJTQSA-N 1 2 362.905 2.960 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)o1 ZINC001096289926 1019928750 /nfs/dbraw/zinc/92/87/50/1019928750.db2.gz YOFJPYNMPUQIOX-QYZOEREBSA-N 1 2 363.461 2.932 20 30 FFEDLO CCc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)o1 ZINC001096289926 1019928758 /nfs/dbraw/zinc/92/87/58/1019928758.db2.gz YOFJPYNMPUQIOX-QYZOEREBSA-N 1 2 363.461 2.932 20 30 FFEDLO C[C@H](c1cccc(NC(=O)NCC#C[C@@H]2CCCCO2)c1)[NH+]1CCOCC1 ZINC000930229541 1019934693 /nfs/dbraw/zinc/93/46/93/1019934693.db2.gz QOWUBZOZAZQROC-XLIONFOSSA-N 1 2 371.481 2.774 20 30 FFEDLO NC(=[NH+]OC[C@H]1C[C@@]12CCOC2)c1ccc(OCc2cccnc2)cc1 ZINC000902227332 1019990217 /nfs/dbraw/zinc/99/02/17/1019990217.db2.gz QYDSCXDUQAACLB-YLJYHZDGSA-N 1 2 353.422 2.724 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001096031827 1020000054 /nfs/dbraw/zinc/00/00/54/1020000054.db2.gz QCXQDNYRPBTNAW-NSYSGPAISA-N 1 2 372.896 2.838 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001096031827 1020000061 /nfs/dbraw/zinc/00/00/61/1020000061.db2.gz QCXQDNYRPBTNAW-NSYSGPAISA-N 1 2 372.896 2.838 20 30 FFEDLO C[C@@H](CC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(C#N)nc1)n1cc[nH+]c1 ZINC001048363411 1020161542 /nfs/dbraw/zinc/16/15/42/1020161542.db2.gz ASNXSLLPMWVAQB-GJYPPUQNSA-N 1 2 366.469 2.840 20 30 FFEDLO Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(C#N)n2)c(C)[nH+]1 ZINC001046212170 1020543979 /nfs/dbraw/zinc/54/39/79/1020543979.db2.gz SSHOKDCHBLREMO-IAGOWNOFSA-N 1 2 364.453 2.822 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1Cc3cc(F)ccc3O1)C2 ZINC001096093000 1020613122 /nfs/dbraw/zinc/61/31/22/1020613122.db2.gz ZSJCKPLLQPBREI-WBTNSWJXSA-N 1 2 350.821 2.603 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1Cc3cc(F)ccc3O1)C2 ZINC001096093000 1020613125 /nfs/dbraw/zinc/61/31/25/1020613125.db2.gz ZSJCKPLLQPBREI-WBTNSWJXSA-N 1 2 350.821 2.603 20 30 FFEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCCN1C(=O)[C@]12C[C@H]1COC2 ZINC001074018251 1020625075 /nfs/dbraw/zinc/62/50/75/1020625075.db2.gz SEPMPVNWINSALG-DSKINZAPSA-N 1 2 371.456 2.547 20 30 FFEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCCN1C(=O)[C@]12C[C@H]1COC2 ZINC001074018251 1020625081 /nfs/dbraw/zinc/62/50/81/1020625081.db2.gz SEPMPVNWINSALG-DSKINZAPSA-N 1 2 371.456 2.547 20 30 FFEDLO Cc1nc(CC2CC[NH+](CC(=O)Nc3sc(C)c(C)c3C#N)CC2)no1 ZINC000932239458 1020753038 /nfs/dbraw/zinc/75/30/38/1020753038.db2.gz BUCRLPAJWFHUGX-UHFFFAOYSA-N 1 2 373.482 2.821 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3F)[C@H]2C1 ZINC001222398050 1032940096 /nfs/dbraw/zinc/94/00/96/1032940096.db2.gz OCUUJFGZVODPIJ-QAPCUYQASA-N 1 2 359.445 2.653 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)Nc3ccccc3F)[C@H]2C1 ZINC001222398050 1032940109 /nfs/dbraw/zinc/94/01/09/1032940109.db2.gz OCUUJFGZVODPIJ-QAPCUYQASA-N 1 2 359.445 2.653 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cnc(F)c(F)c3)CC2)cc1 ZINC000934407523 1021223579 /nfs/dbraw/zinc/22/35/79/1021223579.db2.gz AKFIWKLPDIBWMM-UHFFFAOYSA-N 1 2 357.364 2.581 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934488133 1021255999 /nfs/dbraw/zinc/25/59/99/1021255999.db2.gz AVCPJBDCJMPLQB-SJORKVTESA-N 1 2 367.497 2.597 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934488133 1021256006 /nfs/dbraw/zinc/25/60/06/1021256006.db2.gz AVCPJBDCJMPLQB-SJORKVTESA-N 1 2 367.497 2.597 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C3)c1 ZINC001099021753 1021612943 /nfs/dbraw/zinc/61/29/43/1021612943.db2.gz QUPJXOVSPZHVTI-JPCMJFKWSA-N 1 2 364.276 2.966 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@]23CCC[C@H]2C[N@H+](C/C(Cl)=C\Cl)C3)c1 ZINC001099021753 1021612948 /nfs/dbraw/zinc/61/29/48/1021612948.db2.gz QUPJXOVSPZHVTI-JPCMJFKWSA-N 1 2 364.276 2.966 20 30 FFEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000935923952 1021936025 /nfs/dbraw/zinc/93/60/25/1021936025.db2.gz HPYWPVLRXWWCRV-ZBFHGGJFSA-N 1 2 362.474 2.564 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2nc3ccccc3o2)C1 ZINC001015816988 1021961858 /nfs/dbraw/zinc/96/18/58/1021961858.db2.gz RKUGXORBJSOLCB-GUXCAODWSA-N 1 2 369.465 2.890 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC001015816988 1021961864 /nfs/dbraw/zinc/96/18/64/1021961864.db2.gz RKUGXORBJSOLCB-GUXCAODWSA-N 1 2 369.465 2.890 20 30 FFEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCO[C@H]2C2CC2)c1 ZINC001017755771 1022302225 /nfs/dbraw/zinc/30/22/25/1022302225.db2.gz WCFBIUWYLPGNMX-MHTWAQMVSA-N 1 2 365.477 2.549 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCO[C@H]2C2CC2)c1 ZINC001017755771 1022302243 /nfs/dbraw/zinc/30/22/43/1022302243.db2.gz WCFBIUWYLPGNMX-MHTWAQMVSA-N 1 2 365.477 2.549 20 30 FFEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC001018051887 1022334638 /nfs/dbraw/zinc/33/46/38/1022334638.db2.gz KYBRFWFVQCUISV-MHTWAQMVSA-N 1 2 352.478 2.771 20 30 FFEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC001018051887 1022334654 /nfs/dbraw/zinc/33/46/54/1022334654.db2.gz KYBRFWFVQCUISV-MHTWAQMVSA-N 1 2 352.478 2.771 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3ccco3)s1)C2 ZINC001111212098 1022430761 /nfs/dbraw/zinc/43/07/61/1022430761.db2.gz IGACPQYPLDUCSQ-OAGGEKHMSA-N 1 2 370.474 2.993 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3ccco3)s1)C2 ZINC001111212098 1022430768 /nfs/dbraw/zinc/43/07/68/1022430768.db2.gz IGACPQYPLDUCSQ-OAGGEKHMSA-N 1 2 370.474 2.993 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3sccc3c1)C2 ZINC001111212057 1022431340 /nfs/dbraw/zinc/43/13/40/1022431340.db2.gz GCKOMUOTCGWTGE-ZACQAIPSSA-N 1 2 369.490 2.539 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3sccc3c1)C2 ZINC001111212057 1022431343 /nfs/dbraw/zinc/43/13/43/1022431343.db2.gz GCKOMUOTCGWTGE-ZACQAIPSSA-N 1 2 369.490 2.539 20 30 FFEDLO Cc1ccc([C@@H](C)NC(=O)CO[NH+]=C(N)c2ccc3c(c2)CCO3)cc1C ZINC000158209606 1022487451 /nfs/dbraw/zinc/48/74/51/1022487451.db2.gz NZGKPNRDXIGMSJ-OAHLLOKOSA-N 1 2 367.449 2.753 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(-c2ccccc2)no1 ZINC001038713891 1022681392 /nfs/dbraw/zinc/68/13/92/1022681392.db2.gz GMCKEEHOMDJCAL-HQRMLTQVSA-N 1 2 367.449 2.623 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cc(-c2ccccc2)no1 ZINC001038713891 1022681397 /nfs/dbraw/zinc/68/13/97/1022681397.db2.gz GMCKEEHOMDJCAL-HQRMLTQVSA-N 1 2 367.449 2.623 20 30 FFEDLO C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)Nc1cccc(F)c1C#N ZINC001099710831 1022781930 /nfs/dbraw/zinc/78/19/30/1022781930.db2.gz INYPVXWVPNUGIJ-BFHYXJOUSA-N 1 2 355.417 2.541 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC001119723262 1022954650 /nfs/dbraw/zinc/95/46/50/1022954650.db2.gz PPJKBQMMQUXLDX-CABCVRRESA-N 1 2 362.499 2.923 20 30 FFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC001119723262 1022954658 /nfs/dbraw/zinc/95/46/58/1022954658.db2.gz PPJKBQMMQUXLDX-CABCVRRESA-N 1 2 362.499 2.923 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCCC2(CCOCC2)C1 ZINC001122400149 1023245211 /nfs/dbraw/zinc/24/52/11/1023245211.db2.gz NIYWZJVJCPOKLT-UHFFFAOYSA-N 1 2 370.501 2.576 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H](OC)C1 ZINC001122441519 1023270873 /nfs/dbraw/zinc/27/08/73/1023270873.db2.gz UUXZJNHDDFFHAO-GOSISDBHSA-N 1 2 372.517 2.562 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001122490674 1023302370 /nfs/dbraw/zinc/30/23/70/1023302370.db2.gz PUZIVJUHRULNOJ-CQSZACIVSA-N 1 2 371.514 2.875 20 30 FFEDLO COc1ccc(C(C)=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1Cn1cccn1 ZINC000753934713 1023401213 /nfs/dbraw/zinc/40/12/13/1023401213.db2.gz JTFAIBJRPRPIPH-QZTJIDSGSA-N 1 2 366.469 2.524 20 30 FFEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC000948919262 1023410042 /nfs/dbraw/zinc/41/00/42/1023410042.db2.gz CNHKHYRWRONPKU-JBACZVJFSA-N 1 2 354.494 2.786 20 30 FFEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC000948919262 1023410045 /nfs/dbraw/zinc/41/00/45/1023410045.db2.gz CNHKHYRWRONPKU-JBACZVJFSA-N 1 2 354.494 2.786 20 30 FFEDLO N#CCOc1cccc(CC(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)c1 ZINC001120679558 1023419894 /nfs/dbraw/zinc/41/98/94/1023419894.db2.gz RIMFQGYGFPUSET-LJQANCHMSA-N 1 2 369.852 2.958 20 30 FFEDLO CC[C@@H](SC)C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001123370173 1023765070 /nfs/dbraw/zinc/76/50/70/1023765070.db2.gz RSORMJPSYBAQEI-MRXNPFEDSA-N 1 2 353.509 2.617 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](CCOc2ccccc2)C1 ZINC000950353181 1023801647 /nfs/dbraw/zinc/80/16/47/1023801647.db2.gz JSJLNDDSCUQKJW-UXHICEINSA-N 1 2 358.482 2.579 20 30 FFEDLO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1[nH]c(=O)nc2nc3cc(C)c(C)cc3nc21 ZINC001218456042 1033165095 /nfs/dbraw/zinc/16/50/95/1033165095.db2.gz QXJXYIRBLKEUAT-CZUORRHYSA-N 1 2 365.437 2.971 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(OCCC)c2)CC1 ZINC000950593910 1023872104 /nfs/dbraw/zinc/87/21/04/1023872104.db2.gz PNTNOFVQFAYVIF-UXHICEINSA-N 1 2 358.482 2.711 20 30 FFEDLO COc1ccc(-c2noc(CO[NH+]=C(N)c3ccccc3)n2)c(OC)c1 ZINC000078534114 1023874004 /nfs/dbraw/zinc/87/40/04/1023874004.db2.gz MKNMYQJSYABGJX-UHFFFAOYSA-N 1 2 354.366 2.591 20 30 FFEDLO C=CCn1c(N2CCc3ccsc3[C@@H]2C)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121607589 1023877532 /nfs/dbraw/zinc/87/75/32/1023877532.db2.gz OYKRMPPGHSRIML-RFUYNDQBSA-N 1 2 373.526 2.561 20 30 FFEDLO C=CCn1c(N2CCc3ccsc3[C@@H]2C)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001121607589 1023877534 /nfs/dbraw/zinc/87/75/34/1023877534.db2.gz OYKRMPPGHSRIML-RFUYNDQBSA-N 1 2 373.526 2.561 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Br)n1C ZINC001276844435 1033172364 /nfs/dbraw/zinc/17/23/64/1033172364.db2.gz ONHDQTDOBDPLLS-QGZVFWFLSA-N 1 2 366.303 2.931 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Br)n1C ZINC001276844435 1033172370 /nfs/dbraw/zinc/17/23/70/1033172370.db2.gz ONHDQTDOBDPLLS-QGZVFWFLSA-N 1 2 366.303 2.931 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)n3C3CC3)C[C@@]2(C)C1 ZINC001101167869 1023986134 /nfs/dbraw/zinc/98/61/34/1023986134.db2.gz YHIVDWILQFAVQR-IERDGZPVSA-N 1 2 369.513 2.737 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)n3C3CC3)C[C@@]2(C)C1 ZINC001101167869 1023986145 /nfs/dbraw/zinc/98/61/45/1023986145.db2.gz YHIVDWILQFAVQR-IERDGZPVSA-N 1 2 369.513 2.737 20 30 FFEDLO CCN(C(=O)[C@]12C[C@H]1CCC2)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000950911857 1024078286 /nfs/dbraw/zinc/07/82/86/1024078286.db2.gz HPBKNSFNAKXTQE-DYESRHJHSA-N 1 2 353.466 2.812 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)c1csnn1 ZINC001095826988 1024092740 /nfs/dbraw/zinc/09/27/40/1024092740.db2.gz PTAKCWSOHLLSGN-VYDXJSESSA-N 1 2 372.881 2.578 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)c1csnn1 ZINC001095826988 1024092760 /nfs/dbraw/zinc/09/27/60/1024092760.db2.gz PTAKCWSOHLLSGN-VYDXJSESSA-N 1 2 372.881 2.578 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(CC)o3)C[C@@]2(C)C1 ZINC001101248493 1024185211 /nfs/dbraw/zinc/18/52/11/1024185211.db2.gz FNNGQGYJFAWXCC-UZLBHIALSA-N 1 2 358.486 2.681 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(CC)o3)C[C@@]2(C)C1 ZINC001101248493 1024185216 /nfs/dbraw/zinc/18/52/16/1024185216.db2.gz FNNGQGYJFAWXCC-UZLBHIALSA-N 1 2 358.486 2.681 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3c(C)noc3CC)C[C@@H]21 ZINC001218518493 1033197229 /nfs/dbraw/zinc/19/72/29/1033197229.db2.gz XGGRPVNXAUYUBX-VDZJLULYSA-N 1 2 361.486 2.559 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3c(C)noc3CC)C[C@@H]21 ZINC001218518493 1033197238 /nfs/dbraw/zinc/19/72/38/1033197238.db2.gz XGGRPVNXAUYUBX-VDZJLULYSA-N 1 2 361.486 2.559 20 30 FFEDLO N#Cc1cc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1F ZINC000758951723 1024391420 /nfs/dbraw/zinc/39/14/20/1024391420.db2.gz RGQAJISTMPTPJC-LJQANCHMSA-N 1 2 354.381 2.642 20 30 FFEDLO N#Cc1cc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1F ZINC000758951723 1024391437 /nfs/dbraw/zinc/39/14/37/1024391437.db2.gz RGQAJISTMPTPJC-LJQANCHMSA-N 1 2 354.381 2.642 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000759025010 1024431895 /nfs/dbraw/zinc/43/18/95/1024431895.db2.gz DQWOXEXCYOBKLQ-UHFFFAOYSA-N 1 2 369.469 2.948 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001101336439 1024483808 /nfs/dbraw/zinc/48/38/08/1024483808.db2.gz COCAECQKXQEVKP-QKLQHJQFSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001101336439 1024483812 /nfs/dbraw/zinc/48/38/12/1024483812.db2.gz COCAECQKXQEVKP-QKLQHJQFSA-N 1 2 359.518 2.742 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4cn(C(C)C)nn4)C[C@@]3(C)C2)CC1 ZINC001101354247 1024531689 /nfs/dbraw/zinc/53/16/89/1024531689.db2.gz XQBREAUFSIJTGT-XLIONFOSSA-N 1 2 371.529 2.886 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@H+](Cc4cn(C(C)C)nn4)C[C@@]3(C)C2)CC1 ZINC001101354247 1024531700 /nfs/dbraw/zinc/53/17/00/1024531700.db2.gz XQBREAUFSIJTGT-XLIONFOSSA-N 1 2 371.529 2.886 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C5CC5)[nH]4)C[C@@]3(C)C2)CCC1 ZINC001101355138 1024534046 /nfs/dbraw/zinc/53/40/46/1024534046.db2.gz PPRVDQSEKSXKLY-UZLBHIALSA-N 1 2 369.513 2.709 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C5CC5)[nH]4)C[C@@]3(C)C2)CCC1 ZINC001101355138 1024534056 /nfs/dbraw/zinc/53/40/56/1024534056.db2.gz PPRVDQSEKSXKLY-UZLBHIALSA-N 1 2 369.513 2.709 20 30 FFEDLO COc1ccc([C@@H](NC(=O)CO[NH+]=C(N)Cc2ccccc2)C2CC2)cc1 ZINC000193579797 1024576288 /nfs/dbraw/zinc/57/62/88/1024576288.db2.gz BLYMHVKLGWKGSC-NRFANRHFSA-N 1 2 367.449 2.794 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001101378815 1024585849 /nfs/dbraw/zinc/58/58/49/1024585849.db2.gz GWKYXAWAELQYNF-QRWLVFNGSA-N 1 2 357.502 2.565 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001101378815 1024585856 /nfs/dbraw/zinc/58/58/56/1024585856.db2.gz GWKYXAWAELQYNF-QRWLVFNGSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000951584903 1024590975 /nfs/dbraw/zinc/59/09/75/1024590975.db2.gz RYOBREKVGXOBNO-PMACEKPBSA-N 1 2 358.482 2.711 20 30 FFEDLO COc1cccc(-c2nn(C(C)(C)C)cc2C=NNC2=[NH+]C[C@@H](C)N2)c1 ZINC000779782758 1024652865 /nfs/dbraw/zinc/65/28/65/1024652865.db2.gz HMGSYARCLBTABJ-CYBMUJFWSA-N 1 2 354.458 2.585 20 30 FFEDLO C=C(C)CN1CCC2(CC[NH+](CC(=O)c3ccccc3OC)CC2)C1=O ZINC001276859683 1033237147 /nfs/dbraw/zinc/23/71/47/1033237147.db2.gz PKFJREURKHGFFW-UHFFFAOYSA-N 1 2 356.466 2.769 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOc1ccc(OC)cc1)C2 ZINC001111401923 1025063638 /nfs/dbraw/zinc/06/36/38/1025063638.db2.gz WKNROMNOPROENU-OLMNPRSZSA-N 1 2 364.873 2.938 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOc1ccc(OC)cc1)C2 ZINC001111401923 1025063652 /nfs/dbraw/zinc/06/36/52/1025063652.db2.gz WKNROMNOPROENU-OLMNPRSZSA-N 1 2 364.873 2.938 20 30 FFEDLO C#CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2noc(-c3ccccc3)n2)C[C@H]1C ZINC001101916379 1025175519 /nfs/dbraw/zinc/17/55/19/1025175519.db2.gz CAKNAAASDPQTFL-SJLPKXTDSA-N 1 2 366.465 2.724 20 30 FFEDLO C#CCCCC(=O)NC[C@@H]1C[N@H+](Cc2noc(-c3ccccc3)n2)C[C@H]1C ZINC001101916379 1025175523 /nfs/dbraw/zinc/17/55/23/1025175523.db2.gz CAKNAAASDPQTFL-SJLPKXTDSA-N 1 2 366.465 2.724 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(OC)c(Cl)c2OC)C1=O ZINC001276859288 1033263945 /nfs/dbraw/zinc/26/39/45/1033263945.db2.gz ILLKLRREAPYMQD-LJQANCHMSA-N 1 2 362.857 2.557 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(OC)c(Cl)c2OC)C1=O ZINC001276859288 1033263956 /nfs/dbraw/zinc/26/39/56/1033263956.db2.gz ILLKLRREAPYMQD-LJQANCHMSA-N 1 2 362.857 2.557 20 30 FFEDLO C[C@@H]1CC(N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C[C@@H](C)O1 ZINC000245607470 1025466960 /nfs/dbraw/zinc/46/69/60/1025466960.db2.gz NMOHJXDXNJFPSQ-CHWSQXEVSA-N 1 2 354.454 2.602 20 30 FFEDLO Cc1ccc(C#N)c(N(CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)C)n1 ZINC001102149239 1025492437 /nfs/dbraw/zinc/49/24/37/1025492437.db2.gz IGHYVWFLFVTGSB-IAGOWNOFSA-N 1 2 366.469 2.510 20 30 FFEDLO Cc1ccc(C#N)c(N(CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)C)n1 ZINC001102149239 1025492446 /nfs/dbraw/zinc/49/24/46/1025492446.db2.gz IGHYVWFLFVTGSB-IAGOWNOFSA-N 1 2 366.469 2.510 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001102262911 1025660791 /nfs/dbraw/zinc/66/07/91/1025660791.db2.gz PIHLWHUKPFCVFO-JHJVBQTASA-N 1 2 356.417 2.794 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001102262911 1025660796 /nfs/dbraw/zinc/66/07/96/1025660796.db2.gz PIHLWHUKPFCVFO-JHJVBQTASA-N 1 2 356.417 2.794 20 30 FFEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC000245966985 1025661177 /nfs/dbraw/zinc/66/11/77/1025661177.db2.gz DWAJBUQJSJJXEL-VQTJNVASSA-N 1 2 350.418 2.799 20 30 FFEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC000245966985 1025661187 /nfs/dbraw/zinc/66/11/87/1025661187.db2.gz DWAJBUQJSJJXEL-VQTJNVASSA-N 1 2 350.418 2.799 20 30 FFEDLO C[C@H](C(=O)[C@@H](C#N)c1nnc2n1CCCCC2)[N@@H+]1CCc2ccccc2C1 ZINC000089967348 1025896151 /nfs/dbraw/zinc/89/61/51/1025896151.db2.gz GTHLXYGRQKVWPD-CRAIPNDOSA-N 1 2 363.465 2.628 20 30 FFEDLO C[C@H](C(=O)[C@@H](C#N)c1nnc2n1CCCCC2)[N@H+]1CCc2ccccc2C1 ZINC000089967348 1025896174 /nfs/dbraw/zinc/89/61/74/1025896174.db2.gz GTHLXYGRQKVWPD-CRAIPNDOSA-N 1 2 363.465 2.628 20 30 FFEDLO C=CCO[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001102610276 1026424756 /nfs/dbraw/zinc/42/47/56/1026424756.db2.gz ZAMWWEHECLLUTE-JHJVBQTASA-N 1 2 357.907 2.572 20 30 FFEDLO C=CCO[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001102610276 1026424760 /nfs/dbraw/zinc/42/47/60/1026424760.db2.gz ZAMWWEHECLLUTE-JHJVBQTASA-N 1 2 357.907 2.572 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+](CN3C(=O)[C@]4(CCCO4)[C@@H]3C3CC3)CC2)cc1 ZINC000840037890 1026923983 /nfs/dbraw/zinc/92/39/83/1026923983.db2.gz MEADEIUUKNDUPC-UNMCSNQZSA-N 1 2 363.461 2.775 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C(=O)[C@]4(CCCO4)[C@@H]3C3CC3)CC2)cc1 ZINC000840037890 1026923991 /nfs/dbraw/zinc/92/39/91/1026923991.db2.gz MEADEIUUKNDUPC-UNMCSNQZSA-N 1 2 363.461 2.775 20 30 FFEDLO C#CCCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)cc1 ZINC000091811128 1027070263 /nfs/dbraw/zinc/07/02/63/1027070263.db2.gz NIJQUAUASXXERN-UHFFFAOYSA-N 1 2 364.445 2.752 20 30 FFEDLO C#CCCOc1ccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1 ZINC000091924229 1027133835 /nfs/dbraw/zinc/13/38/35/1027133835.db2.gz URHBTUYEFRBCAC-UHFFFAOYSA-N 1 2 364.445 2.752 20 30 FFEDLO CC[C@H](C)[C@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])OC ZINC000840703593 1027220718 /nfs/dbraw/zinc/22/07/18/1027220718.db2.gz YQHSBXPGTMITCP-GUYCJALGSA-N 1 2 356.470 2.707 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)oc(=O)c1c2CCCCC1 ZINC000840751449 1027236680 /nfs/dbraw/zinc/23/66/80/1027236680.db2.gz AVJFAUHAZCSCIV-HNNXBMFYSA-N 1 2 370.449 2.647 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)oc(=O)c1c2CCCCC1 ZINC000840751449 1027236699 /nfs/dbraw/zinc/23/66/99/1027236699.db2.gz AVJFAUHAZCSCIV-HNNXBMFYSA-N 1 2 370.449 2.647 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](CC)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001103339382 1027260654 /nfs/dbraw/zinc/26/06/54/1027260654.db2.gz OZHRLVXBPZWMEE-BQFCYCMXSA-N 1 2 358.486 2.950 20 30 FFEDLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C3CC3)c(C#N)c2)C1 ZINC001153381087 1027858895 /nfs/dbraw/zinc/85/88/95/1027858895.db2.gz JQSBUWDMFISOQD-HNNXBMFYSA-N 1 2 355.438 2.649 20 30 FFEDLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C3CC3)c(C#N)c2)C1 ZINC001153381087 1027858916 /nfs/dbraw/zinc/85/89/16/1027858916.db2.gz JQSBUWDMFISOQD-HNNXBMFYSA-N 1 2 355.438 2.649 20 30 FFEDLO N#Cc1cccc(-c2n[nH]c(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)n2)c1 ZINC001161914398 1028360706 /nfs/dbraw/zinc/36/07/06/1028360706.db2.gz SGECMTRBCJDPIT-INIZCTEOSA-N 1 2 350.426 2.689 20 30 FFEDLO N#Cc1cccc(-c2n[nH]c(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)n2)c1 ZINC001161914398 1028360723 /nfs/dbraw/zinc/36/07/23/1028360723.db2.gz SGECMTRBCJDPIT-INIZCTEOSA-N 1 2 350.426 2.689 20 30 FFEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCCN2CCCCC2=O)[nH+]1 ZINC001161937348 1028369477 /nfs/dbraw/zinc/36/94/77/1028369477.db2.gz OBWOWESYIJEKOJ-VGNXUAKHSA-N 1 2 364.515 2.696 20 30 FFEDLO CCOC(=O)[C@H]([NH3+])CNc1c(C#N)c(Cl)nc2cccc(Cl)c21 ZINC001161950481 1028375523 /nfs/dbraw/zinc/37/55/23/1028375523.db2.gz IDWINJCOGOADBC-SNVBAGLBSA-N 1 2 353.209 2.716 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C(=O)c2cccs2)C1 ZINC001154958903 1028529315 /nfs/dbraw/zinc/52/93/15/1028529315.db2.gz MFNPYXKBTSWDGI-OAHLLOKOSA-N 1 2 352.459 2.807 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C(=O)c2cccs2)C1 ZINC001154958903 1028529319 /nfs/dbraw/zinc/52/93/19/1028529319.db2.gz MFNPYXKBTSWDGI-OAHLLOKOSA-N 1 2 352.459 2.807 20 30 FFEDLO COC(=O)[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(C#N)cc1 ZINC000780635223 1028752040 /nfs/dbraw/zinc/75/20/40/1028752040.db2.gz XEZFQJDKEWZEDW-GOSISDBHSA-N 1 2 361.357 2.815 20 30 FFEDLO CC(=O)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc(C#N)cc1F)C2 ZINC001111589074 1028843039 /nfs/dbraw/zinc/84/30/39/1028843039.db2.gz XZNLRDOVKYOVLY-RXVVDRJESA-N 1 2 371.456 2.927 20 30 FFEDLO CC(=O)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(C#N)cc1F)C2 ZINC001111589074 1028843043 /nfs/dbraw/zinc/84/30/43/1028843043.db2.gz XZNLRDOVKYOVLY-RXVVDRJESA-N 1 2 371.456 2.927 20 30 FFEDLO C[C@H](c1cccc(NC(=O)[C@@H](O)c2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000780931428 1028877793 /nfs/dbraw/zinc/87/77/93/1028877793.db2.gz YWTJICFRJNVBMU-QRWLVFNGSA-N 1 2 365.433 2.624 20 30 FFEDLO COC(=O)N1CCN(c2ccc(Nc3cc(F)ccc3C#N)c[nH+]2)CC1 ZINC001163364124 1028905960 /nfs/dbraw/zinc/90/59/60/1028905960.db2.gz PNEQQAUALKLJRY-UHFFFAOYSA-N 1 2 355.373 2.724 20 30 FFEDLO CS[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001111610292 1028909823 /nfs/dbraw/zinc/90/98/23/1028909823.db2.gz QPUVSQJKNWNOAU-AXHNFQJDSA-N 1 2 361.486 2.920 20 30 FFEDLO CS[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001111610292 1028909837 /nfs/dbraw/zinc/90/98/37/1028909837.db2.gz QPUVSQJKNWNOAU-AXHNFQJDSA-N 1 2 361.486 2.920 20 30 FFEDLO C=CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1csc(C3CC3)n1)C2 ZINC001111658482 1029073416 /nfs/dbraw/zinc/07/34/16/1029073416.db2.gz BVSYWNHWSUMBRT-KXBFYZLASA-N 1 2 361.511 2.694 20 30 FFEDLO C=CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1csc(C3CC3)n1)C2 ZINC001111658482 1029073432 /nfs/dbraw/zinc/07/34/32/1029073432.db2.gz BVSYWNHWSUMBRT-KXBFYZLASA-N 1 2 361.511 2.694 20 30 FFEDLO CC(C)Cc1nnc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)o1 ZINC001111741903 1029307840 /nfs/dbraw/zinc/30/78/40/1029307840.db2.gz VJXNYBGWQZHGHU-WJPUGNRLSA-N 1 2 370.497 2.713 20 30 FFEDLO CC(C)Cc1nnc([C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)o1 ZINC001111741903 1029307861 /nfs/dbraw/zinc/30/78/61/1029307861.db2.gz VJXNYBGWQZHGHU-WJPUGNRLSA-N 1 2 370.497 2.713 20 30 FFEDLO C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccn4cc[nH+]c4c3)n[nH]2)c1C ZINC001156799737 1029351138 /nfs/dbraw/zinc/35/11/38/1029351138.db2.gz AVLSVMZUHPRRPP-UHFFFAOYSA-N 1 2 361.409 2.976 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)n1C1CC1)C2 ZINC001111764014 1029379070 /nfs/dbraw/zinc/37/90/70/1029379070.db2.gz UPGLTHMCKYXONL-JXFKEZNVSA-N 1 2 357.502 2.748 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)n1C1CC1)C2 ZINC001111764014 1029379079 /nfs/dbraw/zinc/37/90/79/1029379079.db2.gz UPGLTHMCKYXONL-JXFKEZNVSA-N 1 2 357.502 2.748 20 30 FFEDLO N#Cc1c[nH]c2c1cccc2C(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001157167932 1029490316 /nfs/dbraw/zinc/49/03/16/1029490316.db2.gz LZQZVKPEGDUNBZ-MRXNPFEDSA-N 1 2 358.392 2.985 20 30 FFEDLO C[C@H](c1cccc(NC(=O)NCc2ccc(C#N)cn2)c1)[NH+]1CCOCC1 ZINC000782035412 1029536964 /nfs/dbraw/zinc/53/69/64/1029536964.db2.gz PNZCCPFJIRARAO-OAHLLOKOSA-N 1 2 365.437 2.668 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)n1C1CC1)C2 ZINC001111850644 1029615732 /nfs/dbraw/zinc/61/57/32/1029615732.db2.gz RDXYHHOXDFBNEU-WWMYMODYSA-N 1 2 371.529 2.994 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)n1C1CC1)C2 ZINC001111850644 1029615738 /nfs/dbraw/zinc/61/57/38/1029615738.db2.gz RDXYHHOXDFBNEU-WWMYMODYSA-N 1 2 371.529 2.994 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nn(CC)nc1C)C2 ZINC001111851514 1029617613 /nfs/dbraw/zinc/61/76/13/1029617613.db2.gz CRASKECLKBOAAK-UWVAXJGDSA-N 1 2 359.518 2.679 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nn(CC)nc1C)C2 ZINC001111851514 1029617618 /nfs/dbraw/zinc/61/76/18/1029617618.db2.gz CRASKECLKBOAAK-UWVAXJGDSA-N 1 2 359.518 2.679 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)n1CCC)C2 ZINC001111855594 1029626572 /nfs/dbraw/zinc/62/65/72/1029626572.db2.gz CRXCIKNZCQMHMA-PXNSSMCTSA-N 1 2 359.518 2.824 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)n1CCC)C2 ZINC001111855594 1029626576 /nfs/dbraw/zinc/62/65/76/1029626576.db2.gz CRXCIKNZCQMHMA-PXNSSMCTSA-N 1 2 359.518 2.824 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC001112068426 1029929276 /nfs/dbraw/zinc/92/92/76/1029929276.db2.gz YKEHDFDCMHEXGV-HZPDHXFCSA-N 1 2 370.419 2.665 20 30 FFEDLO N#Cc1ccc2ncnc(N3Cc4c[nH+]cn4C[C@@H](COCC4CC4)C3)c2c1 ZINC001165693460 1030089241 /nfs/dbraw/zinc/08/92/41/1030089241.db2.gz XILUMJWGJBSGSJ-KRWDZBQOSA-N 1 2 374.448 2.761 20 30 FFEDLO CC#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nccs2)C1 ZINC001112148680 1030102497 /nfs/dbraw/zinc/10/24/97/1030102497.db2.gz XOQITFLBCCZCAH-CHWSQXEVSA-N 1 2 359.417 2.816 20 30 FFEDLO Cc1cc(C#N)c(N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)nc1C ZINC001165741007 1030105264 /nfs/dbraw/zinc/10/52/64/1030105264.db2.gz ZPOCDKCJBBYHJL-QGZVFWFLSA-N 1 2 374.448 2.877 20 30 FFEDLO Cc1nc(N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)ccc1C#N ZINC001165742089 1030107341 /nfs/dbraw/zinc/10/73/41/1030107341.db2.gz XAJDMVCTTRPADV-MRXNPFEDSA-N 1 2 360.421 2.569 20 30 FFEDLO CCSc1ccccc1C[NH+]1CC2(C1)COCC(=O)N2CCCC#N ZINC001276411340 1030720515 /nfs/dbraw/zinc/72/05/15/1030720515.db2.gz AJHZKENMLFXSKR-UHFFFAOYSA-N 1 2 359.495 2.516 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(F)ccc(OCC)c1F ZINC001276463057 1031275790 /nfs/dbraw/zinc/27/57/90/1031275790.db2.gz YHNTVSUXFOIREO-FQEVSTJZSA-N 1 2 362.420 2.954 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(F)ccc(OCC)c1F ZINC001276463057 1031275804 /nfs/dbraw/zinc/27/58/04/1031275804.db2.gz YHNTVSUXFOIREO-FQEVSTJZSA-N 1 2 362.420 2.954 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(CC)s3)[C@H]2C1 ZINC001223316063 1033387735 /nfs/dbraw/zinc/38/77/35/1033387735.db2.gz YEPAERMRSVRFDJ-CVEARBPZSA-N 1 2 360.527 2.717 20 30 FFEDLO CC#CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(CC)s3)[C@H]2C1 ZINC001223316063 1033387740 /nfs/dbraw/zinc/38/77/40/1033387740.db2.gz YEPAERMRSVRFDJ-CVEARBPZSA-N 1 2 360.527 2.717 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ncc(C)cn4)[C@H]3C2)CCC1 ZINC001223459709 1033453481 /nfs/dbraw/zinc/45/34/81/1033453481.db2.gz OZXKREPRXDQKEO-MSOLQXFVSA-N 1 2 354.498 2.954 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4ncc(C)cn4)[C@H]3C2)CCC1 ZINC001223459709 1033453489 /nfs/dbraw/zinc/45/34/89/1033453489.db2.gz OZXKREPRXDQKEO-MSOLQXFVSA-N 1 2 354.498 2.954 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc4n3CCCC4)[C@H]2C1 ZINC001223586575 1033507695 /nfs/dbraw/zinc/50/76/95/1033507695.db2.gz DFFVKZPFDXFEED-SJORKVTESA-N 1 2 371.529 2.640 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc4n3CCCC4)[C@H]2C1 ZINC001223586575 1033507704 /nfs/dbraw/zinc/50/77/04/1033507704.db2.gz DFFVKZPFDXFEED-SJORKVTESA-N 1 2 371.529 2.640 20 30 FFEDLO CCCC[C@H](CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001219235542 1033567039 /nfs/dbraw/zinc/56/70/39/1033567039.db2.gz XYUFLSUMUIGGDV-IPELMVKDSA-N 1 2 361.461 2.575 20 30 FFEDLO CCCC[C@H](CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001219235542 1033567045 /nfs/dbraw/zinc/56/70/45/1033567045.db2.gz XYUFLSUMUIGGDV-IPELMVKDSA-N 1 2 361.461 2.575 20 30 FFEDLO CCCCCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nncn3C)[C@H]2C1 ZINC001223977466 1033668197 /nfs/dbraw/zinc/66/81/97/1033668197.db2.gz CQFURYLZIBLIKR-MSOLQXFVSA-N 1 2 361.534 2.989 20 30 FFEDLO CCCCCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nncn3C)[C@H]2C1 ZINC001223977466 1033668206 /nfs/dbraw/zinc/66/82/06/1033668206.db2.gz CQFURYLZIBLIKR-MSOLQXFVSA-N 1 2 361.534 2.989 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001219686846 1033749276 /nfs/dbraw/zinc/74/92/76/1033749276.db2.gz WVECEEOIMHHCSI-ZNOIYHFQSA-N 1 2 364.436 2.956 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001219686846 1033749290 /nfs/dbraw/zinc/74/92/90/1033749290.db2.gz WVECEEOIMHHCSI-ZNOIYHFQSA-N 1 2 364.436 2.956 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)c(Cl)cc1O ZINC001276967517 1033864776 /nfs/dbraw/zinc/86/47/76/1033864776.db2.gz NNGRLPVGHYTUPX-SFHVURJKSA-N 1 2 350.821 2.775 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)c(Cl)cc1O ZINC001276967517 1033864787 /nfs/dbraw/zinc/86/47/87/1033864787.db2.gz NNGRLPVGHYTUPX-SFHVURJKSA-N 1 2 350.821 2.775 20 30 FFEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1cnc(C(F)(F)F)s1)CC2 ZINC001276968150 1033866545 /nfs/dbraw/zinc/86/65/45/1033866545.db2.gz YFPGDXRZGLPZQB-GFCCVEGCSA-N 1 2 357.401 2.513 20 30 FFEDLO C=CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3cc(F)c(O)c(Cl)c3)C2)C1=O ZINC001276992796 1033983313 /nfs/dbraw/zinc/98/33/13/1033983313.db2.gz YYSXVDJYOVQHJG-SFHVURJKSA-N 1 2 366.820 2.712 20 30 FFEDLO C=CCN1C(=O)C[C@]2(CCC[N@H+](Cc3cc(F)c(O)c(Cl)c3)C2)C1=O ZINC001276992796 1033983317 /nfs/dbraw/zinc/98/33/17/1033983317.db2.gz YYSXVDJYOVQHJG-SFHVURJKSA-N 1 2 366.820 2.712 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](CC)c2ccc(F)cc2F)C[C@@H]1O ZINC001220148125 1034003571 /nfs/dbraw/zinc/00/35/71/1034003571.db2.gz XRELEKNJTSULQG-IKGGRYGDSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](CC)c2ccc(F)cc2F)C[C@@H]1O ZINC001220148125 1034003583 /nfs/dbraw/zinc/00/35/83/1034003583.db2.gz XRELEKNJTSULQG-IKGGRYGDSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@H](CC)c2ccc(F)cc2F)C[C@@H]1O ZINC001220247745 1034068185 /nfs/dbraw/zinc/06/81/85/1034068185.db2.gz ROKBDFXGCYLTDP-KURKYZTESA-N 1 2 352.425 2.934 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)c2ccc(F)cc2F)C[C@@H]1O ZINC001220247745 1034068190 /nfs/dbraw/zinc/06/81/90/1034068190.db2.gz ROKBDFXGCYLTDP-KURKYZTESA-N 1 2 352.425 2.934 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@@H]1O ZINC001220280891 1034095156 /nfs/dbraw/zinc/09/51/56/1034095156.db2.gz XOCMAIMRHTZPMZ-ZIFCJYIRSA-N 1 2 368.880 2.785 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)C[C@@H]1O ZINC001220280891 1034095166 /nfs/dbraw/zinc/09/51/66/1034095166.db2.gz XOCMAIMRHTZPMZ-ZIFCJYIRSA-N 1 2 368.880 2.785 20 30 FFEDLO C=C1CCC(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001220488942 1034215628 /nfs/dbraw/zinc/21/56/28/1034215628.db2.gz LHGWRPOVGVQZCR-FQEVSTJZSA-N 1 2 357.498 2.933 20 30 FFEDLO C=C1CCC(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001220488942 1034215642 /nfs/dbraw/zinc/21/56/42/1034215642.db2.gz LHGWRPOVGVQZCR-FQEVSTJZSA-N 1 2 357.498 2.933 20 30 FFEDLO CCCCCCCCCCC(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1O ZINC001220837133 1034420127 /nfs/dbraw/zinc/42/01/27/1034420127.db2.gz WNUFAELHDABLTA-MOPGFXCFSA-N 1 2 364.534 2.612 20 30 FFEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cncn2C)C[C@@H]1O ZINC001220837133 1034420136 /nfs/dbraw/zinc/42/01/36/1034420136.db2.gz WNUFAELHDABLTA-MOPGFXCFSA-N 1 2 364.534 2.612 20 30 FFEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cncn2C)C[C@@H]1O ZINC001220837133 1034420146 /nfs/dbraw/zinc/42/01/46/1034420146.db2.gz WNUFAELHDABLTA-MOPGFXCFSA-N 1 2 364.534 2.612 20 30 FFEDLO COc1cc(F)c(C[N@@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)cc1F ZINC001277102693 1034542457 /nfs/dbraw/zinc/54/24/57/1034542457.db2.gz CLNYXEFDZACXSV-IBGZPJMESA-N 1 2 363.408 2.844 20 30 FFEDLO COc1cc(F)c(C[N@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)cc1F ZINC001277102693 1034542465 /nfs/dbraw/zinc/54/24/65/1034542465.db2.gz CLNYXEFDZACXSV-IBGZPJMESA-N 1 2 363.408 2.844 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](Cc2c(Cl)[nH]c3ccccc32)CC1 ZINC001138687652 1034546200 /nfs/dbraw/zinc/54/62/00/1034546200.db2.gz JPLSVXYWIVVZKK-UHFFFAOYSA-N 1 2 352.829 2.805 20 30 FFEDLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 ZINC001221289649 1034649985 /nfs/dbraw/zinc/64/99/85/1034649985.db2.gz WJFHCBVTRHLLKU-SQWLQELKSA-N 1 2 370.478 2.678 20 30 FFEDLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 ZINC001221289649 1034649998 /nfs/dbraw/zinc/64/99/98/1034649998.db2.gz WJFHCBVTRHLLKU-SQWLQELKSA-N 1 2 370.478 2.678 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ncoc3C(C)C)C[C@H]21 ZINC001221471160 1034796722 /nfs/dbraw/zinc/79/67/22/1034796722.db2.gz QEPBWKTZVJIYKJ-SJLPKXTDSA-N 1 2 361.486 2.814 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@H+](Cc3ncoc3C(C)C)C[C@H]21 ZINC001221471160 1034796746 /nfs/dbraw/zinc/79/67/46/1034796746.db2.gz QEPBWKTZVJIYKJ-SJLPKXTDSA-N 1 2 361.486 2.814 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3cccc(C)c3C)C[C@H]21 ZINC001221512791 1034830839 /nfs/dbraw/zinc/83/08/39/1034830839.db2.gz OQESSLZFRHBUCO-UYAOXDASSA-N 1 2 367.493 2.578 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3cccc(C)c3C)C[C@H]21 ZINC001221512791 1034830846 /nfs/dbraw/zinc/83/08/46/1034830846.db2.gz OQESSLZFRHBUCO-UYAOXDASSA-N 1 2 367.493 2.578 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)cc3Cl)C[C@H]21 ZINC001221539042 1034856698 /nfs/dbraw/zinc/85/66/98/1034856698.db2.gz KEQNRNWQZBRXPT-JCKWVBRZSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)cc3Cl)C[C@H]21 ZINC001221539042 1034856704 /nfs/dbraw/zinc/85/67/04/1034856704.db2.gz KEQNRNWQZBRXPT-JCKWVBRZSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001221538861 1034857581 /nfs/dbraw/zinc/85/75/81/1034857581.db2.gz DTQXBMPDFIJHHU-JCKWVBRZSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001221538861 1034857585 /nfs/dbraw/zinc/85/75/85/1034857585.db2.gz DTQXBMPDFIJHHU-JCKWVBRZSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC001221544881 1034863461 /nfs/dbraw/zinc/86/34/61/1034863461.db2.gz LKPPNNDSHJMKHG-RDTXWAMCSA-N 1 2 364.848 2.552 20 30 FFEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC001221544881 1034863467 /nfs/dbraw/zinc/86/34/67/1034863467.db2.gz LKPPNNDSHJMKHG-RDTXWAMCSA-N 1 2 364.848 2.552 20 30 FFEDLO C#CCCOc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CC(=C)Cl)C[C@H]32)cc1 ZINC001221546153 1034864535 /nfs/dbraw/zinc/86/45/35/1034864535.db2.gz ITDKCJZFGTUDNW-IEBWSBKVSA-N 1 2 358.869 2.988 20 30 FFEDLO C#CCCOc1ccc(C(=O)N2C[C@H]3CC[N@H+](CC(=C)Cl)C[C@H]32)cc1 ZINC001221546153 1034864542 /nfs/dbraw/zinc/86/45/42/1034864542.db2.gz ITDKCJZFGTUDNW-IEBWSBKVSA-N 1 2 358.869 2.988 20 30 FFEDLO C#CC[NH+]1CCN(Cc2cc(Br)ccc2OC(C)C)CC1 ZINC001138988859 1034865237 /nfs/dbraw/zinc/86/52/37/1034865237.db2.gz LSPDZUUDQBUCTK-UHFFFAOYSA-N 1 2 351.288 2.987 20 30 FFEDLO C=CCOc1ccccc1C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CO)C1 ZINC001139026887 1034893051 /nfs/dbraw/zinc/89/30/51/1034893051.db2.gz DUMUXNFTZUOMJU-OAQYLSRUSA-N 1 2 352.478 2.930 20 30 FFEDLO C=CCOc1ccccc1C[N@H+]1CCN(Cc2ccccc2)[C@@H](CO)C1 ZINC001139026887 1034893052 /nfs/dbraw/zinc/89/30/52/1034893052.db2.gz DUMUXNFTZUOMJU-OAQYLSRUSA-N 1 2 352.478 2.930 20 30 FFEDLO C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)[nH]n3)[C@@H]2C1 ZINC001221584015 1034894747 /nfs/dbraw/zinc/89/47/47/1034894747.db2.gz ZOLDOJICBJYKDT-OUCADQQQSA-N 1 2 367.291 2.673 20 30 FFEDLO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)[nH]n3)[C@@H]2C1 ZINC001221584015 1034894751 /nfs/dbraw/zinc/89/47/51/1034894751.db2.gz ZOLDOJICBJYKDT-OUCADQQQSA-N 1 2 367.291 2.673 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCOc3cccc(F)c3)[C@@H]2C1 ZINC001221595343 1034903606 /nfs/dbraw/zinc/90/36/06/1034903606.db2.gz DRTKMNJWEHSFTG-RHSMWYFYSA-N 1 2 352.837 2.880 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCOc3cccc(F)c3)[C@@H]2C1 ZINC001221595343 1034903612 /nfs/dbraw/zinc/90/36/12/1034903612.db2.gz DRTKMNJWEHSFTG-RHSMWYFYSA-N 1 2 352.837 2.880 20 30 FFEDLO N#Cc1ccccc1/C=C\C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000832796730 1034975486 /nfs/dbraw/zinc/97/54/86/1034975486.db2.gz UPIBAAZQEFIRAX-KUFMOJEASA-N 1 2 361.445 2.589 20 30 FFEDLO N#Cc1ccccc1/C=C\C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000832796730 1034975493 /nfs/dbraw/zinc/97/54/93/1034975493.db2.gz UPIBAAZQEFIRAX-KUFMOJEASA-N 1 2 361.445 2.589 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3cccc(C)c3)C[C@H]21 ZINC001221748110 1035035172 /nfs/dbraw/zinc/03/51/72/1035035172.db2.gz NPDPTMIETBMTAH-UYAOXDASSA-N 1 2 367.493 2.660 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3cccc(C)c3)C[C@H]21 ZINC001221748110 1035035178 /nfs/dbraw/zinc/03/51/78/1035035178.db2.gz NPDPTMIETBMTAH-UYAOXDASSA-N 1 2 367.493 2.660 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3nc4ccccc4n3C)C[C@H]21 ZINC001221779692 1035062622 /nfs/dbraw/zinc/06/26/22/1035062622.db2.gz IQHGGEVXZZGDDP-VQIMIIECSA-N 1 2 352.482 2.962 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+](Cc3nc4ccccc4n3C)C[C@H]21 ZINC001221779692 1035062627 /nfs/dbraw/zinc/06/26/27/1035062627.db2.gz IQHGGEVXZZGDDP-VQIMIIECSA-N 1 2 352.482 2.962 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cnc(C(F)(F)F)nc3)C[C@H]21 ZINC001221782435 1035064121 /nfs/dbraw/zinc/06/41/21/1035064121.db2.gz BZZYGEVFUXGNRG-HUUCEWRRSA-N 1 2 368.403 2.884 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+](Cc3cnc(C(F)(F)F)nc3)C[C@H]21 ZINC001221782435 1035064131 /nfs/dbraw/zinc/06/41/31/1035064131.db2.gz BZZYGEVFUXGNRG-HUUCEWRRSA-N 1 2 368.403 2.884 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCCC(C)(C)C)C[C@H]21 ZINC001221790311 1035073426 /nfs/dbraw/zinc/07/34/26/1035073426.db2.gz JHHDGLSFDPFPHH-CBGDNZLLSA-N 1 2 363.546 2.674 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCCC(C)(C)C)C[C@H]21 ZINC001221790311 1035073434 /nfs/dbraw/zinc/07/34/34/1035073434.db2.gz JHHDGLSFDPFPHH-CBGDNZLLSA-N 1 2 363.546 2.674 20 30 FFEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)CCCO1 ZINC001139428902 1035104256 /nfs/dbraw/zinc/10/42/56/1035104256.db2.gz PWGXFUAXJBMTIJ-GOSISDBHSA-N 1 2 367.405 2.509 20 30 FFEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)CCCO1 ZINC001139428902 1035104259 /nfs/dbraw/zinc/10/42/59/1035104259.db2.gz PWGXFUAXJBMTIJ-GOSISDBHSA-N 1 2 367.405 2.509 20 30 FFEDLO C#CC[NH+]1CCN(Cc2c(Cl)ccnc2NC(=O)OC(C)(C)C)CC1 ZINC001139586955 1035172138 /nfs/dbraw/zinc/17/21/38/1035172138.db2.gz XUZNVDMQOYMCMN-UHFFFAOYSA-N 1 2 364.877 2.833 20 30 FFEDLO COC[C@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC001139722792 1035208200 /nfs/dbraw/zinc/20/82/00/1035208200.db2.gz GIYKUNQFXQXJRR-GOSISDBHSA-N 1 2 359.470 2.934 20 30 FFEDLO COC[C@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC001139722792 1035208203 /nfs/dbraw/zinc/20/82/03/1035208203.db2.gz GIYKUNQFXQXJRR-GOSISDBHSA-N 1 2 359.470 2.934 20 30 FFEDLO Cc1ccc(C[N@@H+]2C[C@H]3OCC(=O)N(c4cccc(F)c4)[C@@H]3C2)cc1C#N ZINC001139725247 1035208864 /nfs/dbraw/zinc/20/88/64/1035208864.db2.gz ISOKMJUDWYUBLC-WOJBJXKFSA-N 1 2 365.408 2.622 20 30 FFEDLO Cc1ccc(C[N@H+]2C[C@H]3OCC(=O)N(c4cccc(F)c4)[C@@H]3C2)cc1C#N ZINC001139725247 1035208868 /nfs/dbraw/zinc/20/88/68/1035208868.db2.gz ISOKMJUDWYUBLC-WOJBJXKFSA-N 1 2 365.408 2.622 20 30 FFEDLO CSc1ncc(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)c(N)n1 ZINC001140253861 1035401079 /nfs/dbraw/zinc/40/10/79/1035401079.db2.gz PMJHXSDEMVMXMS-INIZCTEOSA-N 1 2 355.467 2.696 20 30 FFEDLO CSc1ncc(C[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)c(N)n1 ZINC001140253861 1035401080 /nfs/dbraw/zinc/40/10/80/1035401080.db2.gz PMJHXSDEMVMXMS-INIZCTEOSA-N 1 2 355.467 2.696 20 30 FFEDLO Cc1nc(Cl)nc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1[N+](=O)[O-] ZINC001227336219 1035509772 /nfs/dbraw/zinc/50/97/72/1035509772.db2.gz AIFCGZXFQPPQRE-AWEZNQCLSA-N 1 2 373.800 2.872 20 30 FFEDLO Cc1nc(Cl)nc(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1[N+](=O)[O-] ZINC001227336219 1035509778 /nfs/dbraw/zinc/50/97/78/1035509778.db2.gz AIFCGZXFQPPQRE-AWEZNQCLSA-N 1 2 373.800 2.872 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)cn1 ZINC001140542674 1035599302 /nfs/dbraw/zinc/59/93/02/1035599302.db2.gz DPCHSYVGDKQIQC-HMXCVIKNSA-N 1 2 364.449 2.544 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)cn1 ZINC001140542674 1035599307 /nfs/dbraw/zinc/59/93/07/1035599307.db2.gz DPCHSYVGDKQIQC-HMXCVIKNSA-N 1 2 364.449 2.544 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(C[C@H](c4cncnc4)CO3)CC2)c1 ZINC001232677941 1035936492 /nfs/dbraw/zinc/93/64/92/1035936492.db2.gz SBRCUGQNTAICML-KRWDZBQOSA-N 1 2 350.422 2.593 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)c1 ZINC001232677104 1035937124 /nfs/dbraw/zinc/93/71/24/1035937124.db2.gz ZIHUJKCGZSEVMW-IBGZPJMESA-N 1 2 361.445 2.902 20 30 FFEDLO COc1ccc(C(=O)NC2CC[NH+](Cc3cc(C#N)ccc3O)CC2)cc1 ZINC001232679216 1035937324 /nfs/dbraw/zinc/93/73/24/1035937324.db2.gz HAYROISZGDLJFI-UHFFFAOYSA-N 1 2 365.433 2.667 20 30 FFEDLO CCOc1cc([C@@H]2OC[C@@H](C)O2)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001228164131 1035967223 /nfs/dbraw/zinc/96/72/23/1035967223.db2.gz JFJPUBSFASFBLR-YCXCDATOSA-N 1 2 361.438 2.510 20 30 FFEDLO CCOc1cc([C@@H]2OC[C@@H](C)O2)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001228164131 1035967235 /nfs/dbraw/zinc/96/72/35/1035967235.db2.gz JFJPUBSFASFBLR-YCXCDATOSA-N 1 2 361.438 2.510 20 30 FFEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1c(Cl)n(C)nc1C(F)F)CC2 ZINC001277300765 1036117419 /nfs/dbraw/zinc/11/74/19/1036117419.db2.gz VBISZRNHVZEVNJ-GFCCVEGCSA-N 1 2 372.847 2.915 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccccc1-n1cccc1 ZINC001232908987 1036146011 /nfs/dbraw/zinc/14/60/11/1036146011.db2.gz CNWOXKNRJXWJCE-HXUWFJFHSA-N 1 2 363.465 2.908 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1ccccc1-n1cccc1 ZINC001232908987 1036146027 /nfs/dbraw/zinc/14/60/27/1036146027.db2.gz CNWOXKNRJXWJCE-HXUWFJFHSA-N 1 2 363.465 2.908 20 30 FFEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1ccc(C)cc1C#N ZINC001232965333 1036191973 /nfs/dbraw/zinc/19/19/73/1036191973.db2.gz VZHTZHAHYHUQAO-FQEVSTJZSA-N 1 2 365.481 2.880 20 30 FFEDLO CSc1ncc(C#N)c(O[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC001228681597 1036252122 /nfs/dbraw/zinc/25/21/22/1036252122.db2.gz MLPQJFUEFCKYNO-WMLDXEAASA-N 1 2 370.478 2.738 20 30 FFEDLO CSc1ncc(C#N)c(O[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC001228681597 1036252141 /nfs/dbraw/zinc/25/21/41/1036252141.db2.gz MLPQJFUEFCKYNO-WMLDXEAASA-N 1 2 370.478 2.738 20 30 FFEDLO Cc1cc(C#N)ccc1CN1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001233081118 1036331569 /nfs/dbraw/zinc/33/15/69/1036331569.db2.gz OVHMKYMJQLDRQY-UHFFFAOYSA-N 1 2 352.486 2.704 20 30 FFEDLO Cc1cc(C#N)ccc1CN1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001233081118 1036331580 /nfs/dbraw/zinc/33/15/80/1036331580.db2.gz OVHMKYMJQLDRQY-UHFFFAOYSA-N 1 2 352.486 2.704 20 30 FFEDLO COC(=O)CC[N@H+](Cc1ccco1)Cc1ccc(N(C)C)c(C#N)c1F ZINC001233101361 1036345851 /nfs/dbraw/zinc/34/58/51/1036345851.db2.gz XQTFLDVOVAKQOQ-UHFFFAOYSA-N 1 2 359.401 2.922 20 30 FFEDLO COC(=O)CC[N@@H+](Cc1ccco1)Cc1ccc(N(C)C)c(C#N)c1F ZINC001233101361 1036345870 /nfs/dbraw/zinc/34/58/70/1036345870.db2.gz XQTFLDVOVAKQOQ-UHFFFAOYSA-N 1 2 359.401 2.922 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCc3onc(COc4cccnc4)c3C2)c(O)c1 ZINC001233385506 1036585305 /nfs/dbraw/zinc/58/53/05/1036585305.db2.gz KIPFJRKTCQJWAD-UHFFFAOYSA-N 1 2 362.389 2.784 20 30 FFEDLO CCOC(=O)Cc1nc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cs1 ZINC001229420057 1036662314 /nfs/dbraw/zinc/66/23/14/1036662314.db2.gz ADEVCRQNIDCSBA-MRXNPFEDSA-N 1 2 371.462 2.774 20 30 FFEDLO CCOC(=O)Cc1nc(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cs1 ZINC001229420057 1036662321 /nfs/dbraw/zinc/66/23/21/1036662321.db2.gz ADEVCRQNIDCSBA-MRXNPFEDSA-N 1 2 371.462 2.774 20 30 FFEDLO Cc1coc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccc(C#N)c2)n1 ZINC001277400326 1036756927 /nfs/dbraw/zinc/75/69/27/1036756927.db2.gz GLFYRGUAPLGFIN-QZTJIDSGSA-N 1 2 350.422 2.620 20 30 FFEDLO Cc1coc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccc(C#N)c2)n1 ZINC001277400326 1036756935 /nfs/dbraw/zinc/75/69/35/1036756935.db2.gz GLFYRGUAPLGFIN-QZTJIDSGSA-N 1 2 350.422 2.620 20 30 FFEDLO CC(=O)[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)C1=O ZINC001277817763 1036821690 /nfs/dbraw/zinc/82/16/90/1036821690.db2.gz VAGVRAYCBZSRCL-BFUOFWGJSA-N 1 2 359.857 2.614 20 30 FFEDLO CC(=O)[C@@H](C)N1CC[C@@]2(CC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)C1=O ZINC001277817763 1036821701 /nfs/dbraw/zinc/82/17/01/1036821701.db2.gz VAGVRAYCBZSRCL-BFUOFWGJSA-N 1 2 359.857 2.614 20 30 FFEDLO COc1cc(C[N@@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)c(F)cc1F ZINC001277833312 1036931203 /nfs/dbraw/zinc/93/12/03/1036931203.db2.gz HUBNGRRUWHLEOW-IBGZPJMESA-N 1 2 363.408 2.844 20 30 FFEDLO COc1cc(C[N@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)c(F)cc1F ZINC001277833312 1036931213 /nfs/dbraw/zinc/93/12/13/1036931213.db2.gz HUBNGRRUWHLEOW-IBGZPJMESA-N 1 2 363.408 2.844 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001207184863 1037229132 /nfs/dbraw/zinc/22/91/32/1037229132.db2.gz DSUMVAURIOITAB-HNNXBMFYSA-N 1 2 352.500 2.908 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001207184863 1037229142 /nfs/dbraw/zinc/22/91/42/1037229142.db2.gz DSUMVAURIOITAB-HNNXBMFYSA-N 1 2 352.500 2.908 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC)Cc2c1cnn2CC ZINC001231618759 1037738776 /nfs/dbraw/zinc/73/87/76/1037738776.db2.gz KXEXARTWJGNEOW-QGZVFWFLSA-N 1 2 354.454 2.919 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)Cc2c1cnn2CC ZINC001231618759 1037738791 /nfs/dbraw/zinc/73/87/91/1037738791.db2.gz KXEXARTWJGNEOW-QGZVFWFLSA-N 1 2 354.454 2.919 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccnc(OC)c3Cl)C2)CC1 ZINC001235829898 1037773370 /nfs/dbraw/zinc/77/33/70/1037773370.db2.gz HOEMWKWKJFMVKM-UHFFFAOYSA-N 1 2 365.861 2.964 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cn(C)nc2C(F)(F)F)C1=O ZINC001277579103 1037966215 /nfs/dbraw/zinc/96/62/15/1037966215.db2.gz OOKQUAGMTNGEOC-INIZCTEOSA-N 1 2 356.392 2.582 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cn(C)nc2C(F)(F)F)C1=O ZINC001277579103 1037966225 /nfs/dbraw/zinc/96/62/25/1037966225.db2.gz OOKQUAGMTNGEOC-INIZCTEOSA-N 1 2 356.392 2.582 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Oc2ccc(OC)cc2)C1 ZINC001208258075 1038173716 /nfs/dbraw/zinc/17/37/16/1038173716.db2.gz YNXYLPSZMLVNDA-HACGYAERSA-N 1 2 352.862 2.652 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Oc2ccc(OC)cc2)C1 ZINC001208258075 1038173721 /nfs/dbraw/zinc/17/37/21/1038173721.db2.gz YNXYLPSZMLVNDA-HACGYAERSA-N 1 2 352.862 2.652 20 30 FFEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3c(O)ccc(Cl)c3Cl)C2)OCC1=O ZINC001277992047 1038193454 /nfs/dbraw/zinc/19/34/54/1038193454.db2.gz AQSACCXCZHPOCM-QGZVFWFLSA-N 1 2 371.264 2.688 20 30 FFEDLO C=CCN1C[C@]2(CC[N@H+](Cc3c(O)ccc(Cl)c3Cl)C2)OCC1=O ZINC001277992047 1038193458 /nfs/dbraw/zinc/19/34/58/1038193458.db2.gz AQSACCXCZHPOCM-QGZVFWFLSA-N 1 2 371.264 2.688 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001208292334 1038194839 /nfs/dbraw/zinc/19/48/39/1038194839.db2.gz SERNAFYZFUMGJK-SJLPKXTDSA-N 1 2 357.498 2.972 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001208292334 1038194844 /nfs/dbraw/zinc/19/48/44/1038194844.db2.gz SERNAFYZFUMGJK-SJLPKXTDSA-N 1 2 357.498 2.972 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2csc(-c3ncccn3)n2)C[C@H]1C ZINC001208317962 1038208861 /nfs/dbraw/zinc/20/88/61/1038208861.db2.gz DAGIEEPYAMYIJT-UKRRQHHQSA-N 1 2 371.510 2.749 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2csc(-c3ncccn3)n2)C[C@H]1C ZINC001208317962 1038208871 /nfs/dbraw/zinc/20/88/71/1038208871.db2.gz DAGIEEPYAMYIJT-UKRRQHHQSA-N 1 2 371.510 2.749 20 30 FFEDLO COC(C)(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C)cc2C#N)C1=O ZINC001278006409 1038243829 /nfs/dbraw/zinc/24/38/29/1038243829.db2.gz RRBNOJYFYHKJBW-OAQYLSRUSA-N 1 2 355.482 2.859 20 30 FFEDLO COC(C)(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccc(C)cc2C#N)C1=O ZINC001278006409 1038243834 /nfs/dbraw/zinc/24/38/34/1038243834.db2.gz RRBNOJYFYHKJBW-OAQYLSRUSA-N 1 2 355.482 2.859 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001208392925 1038279375 /nfs/dbraw/zinc/27/93/75/1038279375.db2.gz GEMNTTKJCPIHFS-ZIFCJYIRSA-N 1 2 357.498 2.972 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001208392925 1038279378 /nfs/dbraw/zinc/27/93/78/1038279378.db2.gz GEMNTTKJCPIHFS-ZIFCJYIRSA-N 1 2 357.498 2.972 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2CCCc1ccc(C#N)cc1 ZINC001208856418 1038559006 /nfs/dbraw/zinc/55/90/06/1038559006.db2.gz MUNVVICUZRNFFS-MOPGFXCFSA-N 1 2 371.481 2.811 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2CCCc1ccc(C#N)cc1 ZINC001208856418 1038559014 /nfs/dbraw/zinc/55/90/14/1038559014.db2.gz MUNVVICUZRNFFS-MOPGFXCFSA-N 1 2 371.481 2.811 20 30 FFEDLO C=CCN(CC[NH+]1CCN(c2nc3ccccc3o2)CC1)C(=O)OCC ZINC001209021467 1038635543 /nfs/dbraw/zinc/63/55/43/1038635543.db2.gz FXQUZPZADSZJKP-UHFFFAOYSA-N 1 2 358.442 2.594 20 30 FFEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C(=O)OCC ZINC001257646067 1038912843 /nfs/dbraw/zinc/91/28/43/1038912843.db2.gz PSDCBPHAUXTCGT-HRLGVUPISA-N 1 2 352.475 2.872 20 30 FFEDLO C=CC[NH+]1CCN(C[C@H](O)COc2cccc3[nH]c4ccccc4c32)CC1 ZINC001251091023 1038943550 /nfs/dbraw/zinc/94/35/50/1038943550.db2.gz POMZONRLEYRLOC-KRWDZBQOSA-N 1 2 365.477 2.864 20 30 FFEDLO Cc1ccc(-c2nc3cc(C(=O)N4CC[NH+](C)CC4)ccc3[nH]2)c(C#N)c1 ZINC001251240248 1039026183 /nfs/dbraw/zinc/02/61/83/1039026183.db2.gz ZFCLUUPHVZNKFA-UHFFFAOYSA-N 1 2 359.433 2.798 20 30 FFEDLO C=CCOc1ccccc1C[NH+]1CC2(CCN2Cc2nccn2CC)C1 ZINC001279056462 1039046136 /nfs/dbraw/zinc/04/61/36/1039046136.db2.gz DTBVKCKYPZRNTC-UHFFFAOYSA-N 1 2 352.482 2.928 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CCCC(F)(F)F)C[C@H](C2)O3)cc1 ZINC001278442634 1039309038 /nfs/dbraw/zinc/30/90/38/1039309038.db2.gz YNRBMAZEVRHTCB-CALCHBBNSA-N 1 2 366.383 2.536 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CCCC(F)(F)F)C[C@H](C2)O3)cc1 ZINC001278442634 1039309052 /nfs/dbraw/zinc/30/90/52/1039309052.db2.gz YNRBMAZEVRHTCB-CALCHBBNSA-N 1 2 366.383 2.536 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CCCC(F)(F)F)cc1F ZINC001278638326 1039357101 /nfs/dbraw/zinc/35/71/01/1039357101.db2.gz SFTAGNIXQJMQOV-SJORKVTESA-N 1 2 371.378 2.925 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CCCC(F)(F)F)cc1F ZINC001278638326 1039357109 /nfs/dbraw/zinc/35/71/09/1039357109.db2.gz SFTAGNIXQJMQOV-SJORKVTESA-N 1 2 371.378 2.925 20 30 FFEDLO COCCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001210090215 1039377441 /nfs/dbraw/zinc/37/74/41/1039377441.db2.gz ZNCDNBQJASNOKA-SPYBWZPUSA-N 1 2 361.461 2.697 20 30 FFEDLO COCCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001210090215 1039377453 /nfs/dbraw/zinc/37/74/53/1039377453.db2.gz ZNCDNBQJASNOKA-SPYBWZPUSA-N 1 2 361.461 2.697 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1Cc1cc(C(F)(F)F)cc(Br)c1F ZINC001210196036 1039426311 /nfs/dbraw/zinc/42/63/11/1039426311.db2.gz MQDOJDOKPRLNHO-SNVBAGLBSA-N 1 2 366.156 2.904 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NCc2c[nH+]cn2CC2CCC2)c(Cl)c1 ZINC001259116042 1039723973 /nfs/dbraw/zinc/72/39/73/1039723973.db2.gz HFEURNQKEKKTLG-UHFFFAOYSA-N 1 2 364.858 2.687 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cnnn2CC)C[C@H]1C)c1ccccc1 ZINC001211200266 1039993626 /nfs/dbraw/zinc/99/36/26/1039993626.db2.gz RDWDEGVIYBCKRA-NSISKUIASA-N 1 2 367.497 2.594 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnnn2CC)C[C@H]1C)c1ccccc1 ZINC001211200266 1039993640 /nfs/dbraw/zinc/99/36/40/1039993640.db2.gz RDWDEGVIYBCKRA-NSISKUIASA-N 1 2 367.497 2.594 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1C)c1ccccc1 ZINC001211212380 1040001313 /nfs/dbraw/zinc/00/13/13/1040001313.db2.gz XEEAQVCOTXFVAH-NZSAHSFTSA-N 1 2 352.482 2.717 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1C)c1ccccc1 ZINC001211212380 1040001328 /nfs/dbraw/zinc/00/13/28/1040001328.db2.gz XEEAQVCOTXFVAH-NZSAHSFTSA-N 1 2 352.482 2.717 20 30 FFEDLO C=CCCCCCC[C@H](O)C[N@@H+]1CCc2c([nH]nc2C(=O)N2CCCC2)C1 ZINC001253236265 1040059454 /nfs/dbraw/zinc/05/94/54/1040059454.db2.gz CEHAOECMBMWMOD-KRWDZBQOSA-N 1 2 374.529 2.891 20 30 FFEDLO C=CCCCCCC[C@H](O)C[N@H+]1CCc2c([nH]nc2C(=O)N2CCCC2)C1 ZINC001253236265 1040059459 /nfs/dbraw/zinc/05/94/59/1040059459.db2.gz CEHAOECMBMWMOD-KRWDZBQOSA-N 1 2 374.529 2.891 20 30 FFEDLO C=CCCCCCC[C@H](O)C[N@@H+]1Cc2nnn(CC)c2[C@@H](COC)C1 ZINC001253235656 1040060295 /nfs/dbraw/zinc/06/02/95/1040060295.db2.gz MPVQGDRZSGUMLL-SJORKVTESA-N 1 2 350.507 2.731 20 30 FFEDLO C=CCCCCCC[C@H](O)C[N@H+]1Cc2nnn(CC)c2[C@@H](COC)C1 ZINC001253235656 1040060306 /nfs/dbraw/zinc/06/03/06/1040060306.db2.gz MPVQGDRZSGUMLL-SJORKVTESA-N 1 2 350.507 2.731 20 30 FFEDLO N#Cc1cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cc([N+](=O)[O-])c1 ZINC001211330316 1040084422 /nfs/dbraw/zinc/08/44/22/1040084422.db2.gz RBZKPLYLEDONAZ-UHFFFAOYSA-N 1 2 368.393 2.921 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001211424958 1040182760 /nfs/dbraw/zinc/18/27/60/1040182760.db2.gz GJTMNAKYWWRPPF-GPMSIDNRSA-N 1 2 360.885 2.719 20 30 FFEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001211424958 1040182766 /nfs/dbraw/zinc/18/27/66/1040182766.db2.gz GJTMNAKYWWRPPF-GPMSIDNRSA-N 1 2 360.885 2.719 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213317734 1040442386 /nfs/dbraw/zinc/44/23/86/1040442386.db2.gz UFYGUJQLKYVPLI-NIKGAXFTSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213317734 1040442402 /nfs/dbraw/zinc/44/24/02/1040442402.db2.gz UFYGUJQLKYVPLI-NIKGAXFTSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1OC ZINC001213317385 1040443052 /nfs/dbraw/zinc/44/30/52/1040443052.db2.gz HXAHWHOTEPEEFW-FSPWUOQZSA-N 1 2 352.425 2.883 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1OC ZINC001213317385 1040443061 /nfs/dbraw/zinc/44/30/61/1040443061.db2.gz HXAHWHOTEPEEFW-FSPWUOQZSA-N 1 2 352.425 2.883 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1OC ZINC001213378386 1040492237 /nfs/dbraw/zinc/49/22/37/1040492237.db2.gz OTGKSVMGELATGL-ZHALLVOQSA-N 1 2 352.425 2.883 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1OC ZINC001213378386 1040492245 /nfs/dbraw/zinc/49/22/45/1040492245.db2.gz OTGKSVMGELATGL-ZHALLVOQSA-N 1 2 352.425 2.883 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213390289 1040504769 /nfs/dbraw/zinc/50/47/69/1040504769.db2.gz WMOQLXFUQLHLIG-GGPKGHCWSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213390289 1040504788 /nfs/dbraw/zinc/50/47/88/1040504788.db2.gz WMOQLXFUQLHLIG-GGPKGHCWSA-N 1 2 359.445 2.615 20 30 FFEDLO C=CCCCC(=O)NCC1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001299670522 1040541869 /nfs/dbraw/zinc/54/18/69/1040541869.db2.gz DFFLHAOSITXKSN-HZPDHXFCSA-N 1 2 358.486 2.614 20 30 FFEDLO C=CCCCC(=O)NCC1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001299670522 1040541879 /nfs/dbraw/zinc/54/18/79/1040541879.db2.gz DFFLHAOSITXKSN-HZPDHXFCSA-N 1 2 358.486 2.614 20 30 FFEDLO N#Cc1ccn2ncc(C[N@H+]3CC[C@@H](n4cc(Br)cn4)C3)c2c1 ZINC001249125675 1040592562 /nfs/dbraw/zinc/59/25/62/1040592562.db2.gz YYRPOTWWBFAEAH-OAHLLOKOSA-N 1 2 371.242 2.612 20 30 FFEDLO N#Cc1ccn2ncc(C[N@@H+]3CC[C@@H](n4cc(Br)cn4)C3)c2c1 ZINC001249125675 1040592574 /nfs/dbraw/zinc/59/25/74/1040592574.db2.gz YYRPOTWWBFAEAH-OAHLLOKOSA-N 1 2 371.242 2.612 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213496399 1040610171 /nfs/dbraw/zinc/61/01/71/1040610171.db2.gz PBRRVWXVUSEXQW-QZTJIDSGSA-N 1 2 359.445 2.615 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213496399 1040610183 /nfs/dbraw/zinc/61/01/83/1040610183.db2.gz PBRRVWXVUSEXQW-QZTJIDSGSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ns2)C[C@H]1OC)c1ccccc1 ZINC001213900229 1041049779 /nfs/dbraw/zinc/04/97/79/1041049779.db2.gz VXZDRJMVDZEMMA-GUDVDZBRSA-N 1 2 371.506 2.737 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ns2)C[C@H]1OC)c1ccccc1 ZINC001213900229 1041049784 /nfs/dbraw/zinc/04/97/84/1041049784.db2.gz VXZDRJMVDZEMMA-GUDVDZBRSA-N 1 2 371.506 2.737 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccns3)C[C@H]2OC)CCCCC1 ZINC001213903103 1041053978 /nfs/dbraw/zinc/05/39/78/1041053978.db2.gz GSKTZMJDIRPDLI-IAGOWNOFSA-N 1 2 363.527 2.985 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccns3)C[C@H]2OC)CCCCC1 ZINC001213903103 1041053999 /nfs/dbraw/zinc/05/39/99/1041053999.db2.gz GSKTZMJDIRPDLI-IAGOWNOFSA-N 1 2 363.527 2.985 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cncs3)C[C@H]2OC)CCCCC1 ZINC001213903235 1041055855 /nfs/dbraw/zinc/05/58/55/1041055855.db2.gz MPKWHICAVULCKL-IAGOWNOFSA-N 1 2 363.527 2.985 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cncs3)C[C@H]2OC)CCCCC1 ZINC001213903235 1041055870 /nfs/dbraw/zinc/05/58/70/1041055870.db2.gz MPKWHICAVULCKL-IAGOWNOFSA-N 1 2 363.527 2.985 20 30 FFEDLO COc1cc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)cnc1Cl ZINC001249927603 1041061639 /nfs/dbraw/zinc/06/16/39/1041061639.db2.gz ZZIDVCNBNQVUPR-UHFFFAOYSA-N 1 2 357.845 2.723 20 30 FFEDLO COc1cc(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)cnc1Cl ZINC001249927603 1041061652 /nfs/dbraw/zinc/06/16/52/1041061652.db2.gz ZZIDVCNBNQVUPR-UHFFFAOYSA-N 1 2 357.845 2.723 20 30 FFEDLO CCOC(=O)c1cc(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)nn1C ZINC001250552276 1041245967 /nfs/dbraw/zinc/24/59/67/1041245967.db2.gz WVHRHEGFANHZIR-GOSISDBHSA-N 1 2 368.437 2.512 20 30 FFEDLO CCOC(=O)c1cc(C[N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)nn1C ZINC001250552276 1041245984 /nfs/dbraw/zinc/24/59/84/1041245984.db2.gz WVHRHEGFANHZIR-GOSISDBHSA-N 1 2 368.437 2.512 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(Cc3ccccc3)o2)C1 ZINC001214306056 1041369738 /nfs/dbraw/zinc/36/97/38/1041369738.db2.gz SWNROPWTYWGRPZ-NVXWUHKLSA-N 1 2 354.454 2.563 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC001214466305 1041449828 /nfs/dbraw/zinc/44/98/28/1041449828.db2.gz JXBSSDRWECFJEO-NVXWUHKLSA-N 1 2 358.486 2.857 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC001215379139 1041763914 /nfs/dbraw/zinc/76/39/14/1041763914.db2.gz JJSSNTWOIMFZST-IJEWVQPXSA-N 1 2 358.442 2.868 20 30 FFEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@H]2C[C@H]2C#N)n1C ZINC001262880782 1041926842 /nfs/dbraw/zinc/92/68/42/1041926842.db2.gz MEMKAIBAGKDQKI-IRXDYDNUSA-N 1 2 365.485 2.580 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(CC(F)F)C1CCC1 ZINC001262941805 1041978209 /nfs/dbraw/zinc/97/82/09/1041978209.db2.gz VAOZSUFQGIMOQP-OAHLLOKOSA-N 1 2 369.460 2.870 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CC(F)F)C1CCC1 ZINC001262941805 1041978216 /nfs/dbraw/zinc/97/82/16/1041978216.db2.gz VAOZSUFQGIMOQP-OAHLLOKOSA-N 1 2 369.460 2.870 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)Cc1ccc(Cl)s1 ZINC001262947128 1041982324 /nfs/dbraw/zinc/98/23/24/1041982324.db2.gz GCVNMVJBVCZYST-AAEUAGOBSA-N 1 2 367.906 2.553 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)Cc1ccc(Cl)s1 ZINC001262947128 1041982332 /nfs/dbraw/zinc/98/23/32/1041982332.db2.gz GCVNMVJBVCZYST-AAEUAGOBSA-N 1 2 367.906 2.553 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCO[C@@](C)(C(F)(F)F)C1 ZINC001262952006 1041984457 /nfs/dbraw/zinc/98/44/57/1041984457.db2.gz GUMSMJYIQQJXQR-MRXNPFEDSA-N 1 2 373.423 2.608 20 30 FFEDLO C=CCn1c(N2CCC3(C2)CCCCC3)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001262988485 1042012924 /nfs/dbraw/zinc/01/29/24/1042012924.db2.gz UBYBAWPGVXZYHT-VQIMIIECSA-N 1 2 359.518 2.536 20 30 FFEDLO C=CCn1c(N2CCC3(C2)CCCCC3)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001262988485 1042012931 /nfs/dbraw/zinc/01/29/31/1042012931.db2.gz UBYBAWPGVXZYHT-VQIMIIECSA-N 1 2 359.518 2.536 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 ZINC001262990450 1042013811 /nfs/dbraw/zinc/01/38/11/1042013811.db2.gz CGLFXKDESCOYHG-LSDHHAIUSA-N 1 2 360.531 2.899 20 30 FFEDLO C=C(C)Cn1c(-c2c[nH]cn2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001263309069 1042233733 /nfs/dbraw/zinc/23/37/33/1042233733.db2.gz XUBUGSYLIGTXMO-UHFFFAOYSA-N 1 2 364.457 2.720 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1C[C@H]1CCCO1 ZINC001263437014 1042309166 /nfs/dbraw/zinc/30/91/66/1042309166.db2.gz ILUKABNGKOZGIY-KZNAEPCWSA-N 1 2 370.501 2.747 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2csc(C)n2)[C@@H]1CC ZINC001264046692 1042596648 /nfs/dbraw/zinc/59/66/48/1042596648.db2.gz NOXKYAVVGWGWMP-XOKHGSTOSA-N 1 2 351.516 2.902 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2csc(C)n2)[C@@H]1CC ZINC001264046692 1042596651 /nfs/dbraw/zinc/59/66/51/1042596651.db2.gz NOXKYAVVGWGWMP-XOKHGSTOSA-N 1 2 351.516 2.902 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C4CC4)no3)CC[C@@H]2C1 ZINC001264089142 1042619196 /nfs/dbraw/zinc/61/91/96/1042619196.db2.gz KAUJCSLZGJBEMM-CVEARBPZSA-N 1 2 358.486 2.830 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2C[N@H+](Cc3nc(C4CC4)no3)CC[C@@H]2C1 ZINC001264089142 1042619198 /nfs/dbraw/zinc/61/91/98/1042619198.db2.gz KAUJCSLZGJBEMM-CVEARBPZSA-N 1 2 358.486 2.830 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C[C@@H](C=C)CC)[C@H]2C)c1 ZINC001264157472 1042642672 /nfs/dbraw/zinc/64/26/72/1042642672.db2.gz HPBCTHAXIJKLOT-UWVAXJGDSA-N 1 2 367.493 2.788 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C[C@@H](C=C)CC)[C@H]2C)c1 ZINC001264157472 1042642674 /nfs/dbraw/zinc/64/26/74/1042642674.db2.gz HPBCTHAXIJKLOT-UWVAXJGDSA-N 1 2 367.493 2.788 20 30 FFEDLO C=CCC(C)(C)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nsc(N(C)C)n2)C1 ZINC001264480516 1042690422 /nfs/dbraw/zinc/69/04/22/1042690422.db2.gz ZKUWJMJAHSZKSE-UONOGXRCSA-N 1 2 365.547 2.581 20 30 FFEDLO Cc1ccc(Cl)c(C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c1 ZINC001279211317 1042946404 /nfs/dbraw/zinc/94/64/04/1042946404.db2.gz YQCOEORFIDFWDB-UHFFFAOYSA-N 1 2 368.868 2.817 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CC3(CCN3C(=O)NCC(F)(F)F)C2)cc1 ZINC001279231262 1042956931 /nfs/dbraw/zinc/95/69/31/1042956931.db2.gz OIVCZYGLLTXAPH-UHFFFAOYSA-N 1 2 369.387 2.783 20 30 FFEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)c1Cl ZINC001279320589 1042998996 /nfs/dbraw/zinc/99/89/96/1042998996.db2.gz UUFIHGGRMLUYQK-MSOLQXFVSA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)c1Cl ZINC001279320589 1042999000 /nfs/dbraw/zinc/99/90/00/1042999000.db2.gz UUFIHGGRMLUYQK-MSOLQXFVSA-N 1 2 356.857 2.625 20 30 FFEDLO Cn1cc(CN2C[C@@H]3CC[N@H+](Cc4cccc(Cl)c4O)[C@@H]3C2)cc1C#N ZINC001279442780 1043118901 /nfs/dbraw/zinc/11/89/01/1043118901.db2.gz URPQOYQPLMUNCJ-HNAYVOBHSA-N 1 2 370.884 2.962 20 30 FFEDLO Cn1cc(CN2C[C@@H]3CC[N@@H+](Cc4cccc(Cl)c4O)[C@@H]3C2)cc1C#N ZINC001279442780 1043118918 /nfs/dbraw/zinc/11/89/18/1043118918.db2.gz URPQOYQPLMUNCJ-HNAYVOBHSA-N 1 2 370.884 2.962 20 30 FFEDLO Cn1cnc2c1[C@@H](COCC1CCCC1)C[N@H+](Cc1ccnc(C#N)c1)C2 ZINC001237461395 1043178947 /nfs/dbraw/zinc/17/89/47/1043178947.db2.gz BPAPZQQKOLRJJK-GOSISDBHSA-N 1 2 365.481 2.993 20 30 FFEDLO Cn1cnc2c1[C@@H](COCC1CCCC1)C[N@@H+](Cc1ccnc(C#N)c1)C2 ZINC001237461395 1043178949 /nfs/dbraw/zinc/17/89/49/1043178949.db2.gz BPAPZQQKOLRJJK-GOSISDBHSA-N 1 2 365.481 2.993 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2ccnc(C#N)c2)Cc2nn(CC3CC3)cc21 ZINC001237464625 1043182956 /nfs/dbraw/zinc/18/29/56/1043182956.db2.gz UBQCRMDYQBKOJP-QGZVFWFLSA-N 1 2 351.454 2.696 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)Cc2nn(CC3CC3)cc21 ZINC001237464625 1043182964 /nfs/dbraw/zinc/18/29/64/1043182964.db2.gz UBQCRMDYQBKOJP-QGZVFWFLSA-N 1 2 351.454 2.696 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ccsc2)c(O)c1 ZINC001279497463 1043187863 /nfs/dbraw/zinc/18/78/63/1043187863.db2.gz FYDLXQNJNQFJBT-HDICACEKSA-N 1 2 367.474 2.743 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ccsc2)c(O)c1 ZINC001279497463 1043187885 /nfs/dbraw/zinc/18/78/85/1043187885.db2.gz FYDLXQNJNQFJBT-HDICACEKSA-N 1 2 367.474 2.743 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001279500360 1043194323 /nfs/dbraw/zinc/19/43/23/1043194323.db2.gz RRJYRBFFEOKZAK-SXLOBPIMSA-N 1 2 362.901 2.660 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001279500360 1043194328 /nfs/dbraw/zinc/19/43/28/1043194328.db2.gz RRJYRBFFEOKZAK-SXLOBPIMSA-N 1 2 362.901 2.660 20 30 FFEDLO N#Cc1cc(C[NH+]2CCC3(CC2)OC(=O)c2ncccc23)c(F)cc1F ZINC001237530524 1043221331 /nfs/dbraw/zinc/22/13/31/1043221331.db2.gz PURPPQFVAICWHC-UHFFFAOYSA-N 1 2 355.344 2.893 20 30 FFEDLO C#CCCC[N@H+]1CCOc2c(cc(Br)cc2C(=O)N(C)C)C1 ZINC001279749571 1043581433 /nfs/dbraw/zinc/58/14/33/1043581433.db2.gz FMELTYYEDXLOMZ-UHFFFAOYSA-N 1 2 365.271 2.759 20 30 FFEDLO C#CCCC[N@@H+]1CCOc2c(cc(Br)cc2C(=O)N(C)C)C1 ZINC001279749571 1043581440 /nfs/dbraw/zinc/58/14/40/1043581440.db2.gz FMELTYYEDXLOMZ-UHFFFAOYSA-N 1 2 365.271 2.759 20 30 FFEDLO C=CCCCCCC[N@@H+]1CCc2n[nH]c(C(=O)NCc3cnc[nH]3)c2C1 ZINC001279832237 1043737989 /nfs/dbraw/zinc/73/79/89/1043737989.db2.gz MWMKNCXPKUSKJC-UHFFFAOYSA-N 1 2 356.474 2.557 20 30 FFEDLO C=CCCCCCC[N@H+]1CCc2n[nH]c(C(=O)NCc3cnc[nH]3)c2C1 ZINC001279832237 1043738002 /nfs/dbraw/zinc/73/80/02/1043738002.db2.gz MWMKNCXPKUSKJC-UHFFFAOYSA-N 1 2 356.474 2.557 20 30 FFEDLO Cn1cc(CN2CC3(C2)C[NH+](CCc2cc(F)cc(F)c2)C3)cc1C#N ZINC001278245594 1043758634 /nfs/dbraw/zinc/75/86/34/1043758634.db2.gz GVFJIMFVULTHTK-UHFFFAOYSA-N 1 2 356.420 2.535 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(CCc4cc(F)cc(F)c4)C3)C2)cc1C#N ZINC001278245594 1043758639 /nfs/dbraw/zinc/75/86/39/1043758639.db2.gz GVFJIMFVULTHTK-UHFFFAOYSA-N 1 2 356.420 2.535 20 30 FFEDLO CCCCCCCCNC(=O)N1CC[C@H]2C[N@H+](COCCOC)C[C@H]21 ZINC001279910586 1043909314 /nfs/dbraw/zinc/90/93/14/1043909314.db2.gz KWETZRARYPLFLR-ZWKOTPCHSA-N 1 2 355.523 2.683 20 30 FFEDLO CCCCCCCCNC(=O)N1CC[C@H]2C[N@@H+](COCCOC)C[C@H]21 ZINC001279910586 1043909322 /nfs/dbraw/zinc/90/93/22/1043909322.db2.gz KWETZRARYPLFLR-ZWKOTPCHSA-N 1 2 355.523 2.683 20 30 FFEDLO C=CCCCNC(=S)N1CCC[C@]2(C1)C[N@H+](Cc1ccc[nH]1)CCO2 ZINC001279936421 1043948203 /nfs/dbraw/zinc/94/82/03/1043948203.db2.gz NTWLYKHOPUPHSR-LJQANCHMSA-N 1 2 362.543 2.522 20 30 FFEDLO C=CCCCNC(=S)N1CCC[C@]2(C1)C[N@@H+](Cc1ccc[nH]1)CCO2 ZINC001279936421 1043948208 /nfs/dbraw/zinc/94/82/08/1043948208.db2.gz NTWLYKHOPUPHSR-LJQANCHMSA-N 1 2 362.543 2.522 20 30 FFEDLO C=CCCCCN1Cc2[nH]nc(C(=O)Nc3cccc4[nH+]ccn43)c2C1 ZINC001280128889 1044263993 /nfs/dbraw/zinc/26/39/93/1044263993.db2.gz PKPKUDIECJFVIT-UHFFFAOYSA-N 1 2 350.426 2.982 20 30 FFEDLO N#Cc1cccc(Cl)c1CN1CC2(C1)C[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001278313667 1044337713 /nfs/dbraw/zinc/33/77/13/1044337713.db2.gz CUMFEJYBSLZZOR-UHFFFAOYSA-N 1 2 354.841 2.630 20 30 FFEDLO N#CCCC[N@@H+]1C[C@H]2CN(C(=O)c3cc4ccc(Cl)cc4[nH]3)C[C@@H](C1)O2 ZINC001280181357 1044362299 /nfs/dbraw/zinc/36/22/99/1044362299.db2.gz MGVRJTCFMBDOFP-IYBDPMFKSA-N 1 2 372.856 2.650 20 30 FFEDLO N#CCCC[N@H+]1C[C@H]2CN(C(=O)c3cc4ccc(Cl)cc4[nH]3)C[C@@H](C1)O2 ZINC001280181357 1044362313 /nfs/dbraw/zinc/36/23/13/1044362313.db2.gz MGVRJTCFMBDOFP-IYBDPMFKSA-N 1 2 372.856 2.650 20 30 FFEDLO Cc1cc(N(C)C)[nH+]cc1-c1ccc(CN2CCS/C2=N\C#N)cn1 ZINC001241235355 1044493805 /nfs/dbraw/zinc/49/38/05/1044493805.db2.gz NWWSUXPCONBHBF-PYCFMQQDSA-N 1 2 352.467 2.904 20 30 FFEDLO Cc1cc(F)cc(-c2ccc(NCC[NH+]3CCN(C)CC3)nc2)c1C#N ZINC001241561504 1044549473 /nfs/dbraw/zinc/54/94/73/1044549473.db2.gz ZTGMBWXGGKQOKS-UHFFFAOYSA-N 1 2 353.445 2.727 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC(C)(C)C)C1 ZINC001316718666 1044572675 /nfs/dbraw/zinc/57/26/75/1044572675.db2.gz AOPXOJIHDFGSML-RTBURBONSA-N 1 2 371.525 2.699 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC(C)(C)C)C1 ZINC001316718666 1044572688 /nfs/dbraw/zinc/57/26/88/1044572688.db2.gz AOPXOJIHDFGSML-RTBURBONSA-N 1 2 371.525 2.699 20 30 FFEDLO C#CCCCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001316701721 1044630791 /nfs/dbraw/zinc/63/07/91/1044630791.db2.gz XMOXVNRDQDBPFS-CVEARBPZSA-N 1 2 360.502 2.887 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nnc(-c3ccc(F)cc3)o2)[C@@H]1C ZINC001316780350 1044941816 /nfs/dbraw/zinc/94/18/16/1044941816.db2.gz BFPCKFZQNHZITI-PBHICJAKSA-N 1 2 370.428 2.758 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(F)cc3)o2)[C@@H]1C ZINC001316780350 1044941825 /nfs/dbraw/zinc/94/18/25/1044941825.db2.gz BFPCKFZQNHZITI-PBHICJAKSA-N 1 2 370.428 2.758 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC001281623288 1044979871 /nfs/dbraw/zinc/97/98/71/1044979871.db2.gz VXZCYHAFSQWHJO-DOTOQJQBSA-N 1 2 366.465 2.610 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1cc(C)no1)c1ccccc1 ZINC001317723667 1045126208 /nfs/dbraw/zinc/12/62/08/1045126208.db2.gz ICQLCXOFSBXVIT-UFYCRDLUSA-N 1 2 369.465 2.911 20 30 FFEDLO C#CCN(CC)c1nnc(COCC)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001539382514 1070627958 /nfs/dbraw/zinc/62/79/58/1070627958.db2.gz LEEYYINGPHQPMA-UHFFFAOYSA-N 1 2 364.453 2.508 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001539427337 1070635459 /nfs/dbraw/zinc/63/54/59/1070635459.db2.gz BDFFWHDETLGRFR-IAGOWNOFSA-N 1 2 373.545 2.534 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC001539430865 1070636919 /nfs/dbraw/zinc/63/69/19/1070636919.db2.gz MWSULHCITQDKBN-RBUKOAKNSA-N 1 2 373.545 2.752 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCCS2)CC1 ZINC001539454169 1070641958 /nfs/dbraw/zinc/64/19/58/1070641958.db2.gz IKCHPGWNMPFVDN-GOSISDBHSA-N 1 2 373.570 2.662 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC001320039327 1045335037 /nfs/dbraw/zinc/33/50/37/1045335037.db2.gz ITGVDAPIPMXQSJ-AEFFLSMTSA-N 1 2 357.479 2.626 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC001320039327 1045335044 /nfs/dbraw/zinc/33/50/44/1045335044.db2.gz ITGVDAPIPMXQSJ-AEFFLSMTSA-N 1 2 357.479 2.626 20 30 FFEDLO C=CCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001282104476 1045343730 /nfs/dbraw/zinc/34/37/30/1045343730.db2.gz YAZIRRDXMDNDOO-FUHWJXTLSA-N 1 2 366.465 2.853 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001282119539 1045356021 /nfs/dbraw/zinc/35/60/21/1045356021.db2.gz LOSSFFGPZJIJKA-IXDOHACOSA-N 1 2 360.502 2.838 20 30 FFEDLO C=CCO[C@@H]1CC[N@@H+](Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC001320158857 1045358266 /nfs/dbraw/zinc/35/82/66/1045358266.db2.gz BDRWDKAZUGYSBF-CYBMUJFWSA-N 1 2 366.462 2.606 20 30 FFEDLO C=CCO[C@@H]1CC[N@H+](Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC001320158857 1045358272 /nfs/dbraw/zinc/35/82/72/1045358272.db2.gz BDRWDKAZUGYSBF-CYBMUJFWSA-N 1 2 366.462 2.606 20 30 FFEDLO C=CCC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C3)CCC1 ZINC001282728037 1046133175 /nfs/dbraw/zinc/13/31/75/1046133175.db2.gz GXAVXEPJMKVBDK-TVFCKZIOSA-N 1 2 370.497 2.829 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC[N@H+](C)Cc1ccn(C(C)C)n1)C(C)C ZINC001284543288 1046569633 /nfs/dbraw/zinc/56/96/33/1046569633.db2.gz AICYCVADSQMHIR-MOPGFXCFSA-N 1 2 362.518 2.724 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC[N@@H+](C)Cc1ccn(C(C)C)n1)C(C)C ZINC001284543288 1046569648 /nfs/dbraw/zinc/56/96/48/1046569648.db2.gz AICYCVADSQMHIR-MOPGFXCFSA-N 1 2 362.518 2.724 20 30 FFEDLO C=CCN(C(=O)[C@H](C)n1cc[nH+]c1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001325987516 1046710726 /nfs/dbraw/zinc/71/07/26/1046710726.db2.gz KAZGRFCEKJBSTR-WMZOPIPTSA-N 1 2 355.438 2.633 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2sc(N3CCCCC3)nc2C)CC1 ZINC001326451143 1046938034 /nfs/dbraw/zinc/93/80/34/1046938034.db2.gz ICSIVBCGBRBNHV-UHFFFAOYSA-N 1 2 362.499 2.721 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1c1ccccc1 ZINC001316642415 1047003494 /nfs/dbraw/zinc/00/34/94/1047003494.db2.gz MVGPSJWBHKSOCS-RBUKOAKNSA-N 1 2 367.497 2.502 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1c1ccccc1 ZINC001316642415 1047003503 /nfs/dbraw/zinc/00/35/03/1047003503.db2.gz MVGPSJWBHKSOCS-RBUKOAKNSA-N 1 2 367.497 2.502 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2C2CC(C(C)(C)C)C2)CC1 ZINC001286481233 1047122264 /nfs/dbraw/zinc/12/22/64/1047122264.db2.gz UBOATXGZSSGGEQ-AOCRQIFASA-N 1 2 371.529 2.534 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ncc(CC)o2)C[C@H]1c1ccccc1 ZINC001316643087 1047129104 /nfs/dbraw/zinc/12/91/04/1047129104.db2.gz SCUJJZVKMKXVRU-RBUKOAKNSA-N 1 2 369.465 2.524 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2ncc(CC)o2)C[C@H]1c1ccccc1 ZINC001316643087 1047129108 /nfs/dbraw/zinc/12/91/08/1047129108.db2.gz SCUJJZVKMKXVRU-RBUKOAKNSA-N 1 2 369.465 2.524 20 30 FFEDLO Cc1cc(C[N@@H+]2CCCN(c3cc(F)c(C#N)cc3[N+](=O)[O-])CC2)no1 ZINC001331892726 1048156109 /nfs/dbraw/zinc/15/61/09/1048156109.db2.gz QRJJJCRGYSXEAG-UHFFFAOYSA-N 1 2 359.361 2.614 20 30 FFEDLO Cc1cc(C[N@H+]2CCCN(c3cc(F)c(C#N)cc3[N+](=O)[O-])CC2)no1 ZINC001331892726 1048156113 /nfs/dbraw/zinc/15/61/13/1048156113.db2.gz QRJJJCRGYSXEAG-UHFFFAOYSA-N 1 2 359.361 2.614 20 30 FFEDLO COc1ccccc1-c1nnc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)o1 ZINC001333416974 1048893889 /nfs/dbraw/zinc/89/38/89/1048893889.db2.gz UWIXEJRMLGYXJF-UHFFFAOYSA-N 1 2 355.394 2.583 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2oc3ccccc3c2Br)CC1 ZINC001292436656 1049344717 /nfs/dbraw/zinc/34/47/17/1049344717.db2.gz GVWKXYOPZBZSQQ-UHFFFAOYSA-N 1 2 361.239 2.976 20 30 FFEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@H](O)CC[C@@H](O)c2ccccc2)C1 ZINC001341614367 1050241748 /nfs/dbraw/zinc/24/17/48/1050241748.db2.gz GILUEZKVVHEARG-KCZVDYSFSA-N 1 2 365.477 2.813 20 30 FFEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@H](O)CC[C@@H](O)c2ccccc2)C1 ZINC001341614367 1050241758 /nfs/dbraw/zinc/24/17/58/1050241758.db2.gz GILUEZKVVHEARG-KCZVDYSFSA-N 1 2 365.477 2.813 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCc2cc(Cl)nnc2C1 ZINC001342004937 1050602885 /nfs/dbraw/zinc/60/28/85/1050602885.db2.gz RZSWNRQHBMDRTF-OAHLLOKOSA-N 1 2 373.892 2.627 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCc2cc(Cl)nnc2C1 ZINC001342004937 1050602891 /nfs/dbraw/zinc/60/28/91/1050602891.db2.gz RZSWNRQHBMDRTF-OAHLLOKOSA-N 1 2 373.892 2.627 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001340258409 1050664189 /nfs/dbraw/zinc/66/41/89/1050664189.db2.gz JFCGKPWSVYYDEI-LNMJFAINSA-N 1 2 365.481 2.640 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001340258409 1050664193 /nfs/dbraw/zinc/66/41/93/1050664193.db2.gz JFCGKPWSVYYDEI-LNMJFAINSA-N 1 2 365.481 2.640 20 30 FFEDLO C#CC1CCN(c2nnc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)n2CC(=C)C)CC1 ZINC001342344271 1050939341 /nfs/dbraw/zinc/93/93/41/1050939341.db2.gz NFOIFEKRHHIXOA-RTBURBONSA-N 1 2 369.513 2.630 20 30 FFEDLO C#CC1CCN(c2nnc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)n2CC(=C)C)CC1 ZINC001342344271 1050939350 /nfs/dbraw/zinc/93/93/50/1050939350.db2.gz NFOIFEKRHHIXOA-RTBURBONSA-N 1 2 369.513 2.630 20 30 FFEDLO N#Cc1ccc(NCC(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)cc1 ZINC001301661675 1050947345 /nfs/dbraw/zinc/94/73/45/1050947345.db2.gz LNPZRLWJCMXVQO-SFHVURJKSA-N 1 2 354.841 2.797 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC([C@@H]2CCCCO2)CC1 ZINC001342416689 1051012266 /nfs/dbraw/zinc/01/22/66/1051012266.db2.gz UZXAOXGAPLRFBD-KRWDZBQOSA-N 1 2 370.501 2.574 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CCC1CCOCC1 ZINC001340909646 1051238628 /nfs/dbraw/zinc/23/86/28/1051238628.db2.gz HBVRJOLILYEJDF-UHFFFAOYSA-N 1 2 374.533 2.644 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@@](OC)(C(F)(F)F)C1 ZINC001342673652 1051283996 /nfs/dbraw/zinc/28/39/96/1051283996.db2.gz LFTILQAMWUHNLK-CJNGLKHVSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@@](OC)(C(F)(F)F)C1 ZINC001342673652 1051284012 /nfs/dbraw/zinc/28/40/12/1051284012.db2.gz LFTILQAMWUHNLK-CJNGLKHVSA-N 1 2 373.423 2.779 20 30 FFEDLO CCn1c([C@H]2C[C@H]2C#N)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001341036058 1051372581 /nfs/dbraw/zinc/37/25/81/1051372581.db2.gz IBBOLKBUGIOZRD-RDJZCZTQSA-N 1 2 370.888 2.901 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001342797625 1051407716 /nfs/dbraw/zinc/40/77/16/1051407716.db2.gz CZZBHEUSSGWHHK-IRXDYDNUSA-N 1 2 361.534 2.541 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nc(-c3ccoc3)no2)[C@@H]1CC ZINC001316737019 1051888032 /nfs/dbraw/zinc/88/80/32/1051888032.db2.gz SAAJXZKPXRNHAR-DLBZAZTESA-N 1 2 370.453 2.992 20 30 FFEDLO CC#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(-c3ccoc3)no2)[C@@H]1CC ZINC001316737019 1051888038 /nfs/dbraw/zinc/88/80/38/1051888038.db2.gz SAAJXZKPXRNHAR-DLBZAZTESA-N 1 2 370.453 2.992 20 30 FFEDLO CCc1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001306064280 1051999987 /nfs/dbraw/zinc/99/99/87/1051999987.db2.gz PLMKKHHYZQSTBL-AWEZNQCLSA-N 1 2 367.432 2.952 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCc2c(O)cccc2C1 ZINC001343297226 1052143401 /nfs/dbraw/zinc/14/34/01/1052143401.db2.gz BNSKXEODFLECRP-UHFFFAOYSA-N 1 2 353.470 2.718 20 30 FFEDLO O=C(Cc1ccsc1)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001344936707 1052145561 /nfs/dbraw/zinc/14/55/61/1052145561.db2.gz NOJUHIUSGYZOFX-UHFFFAOYSA-N 1 2 361.488 2.779 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)CC[C@@H]2C1 ZINC001345042099 1052217256 /nfs/dbraw/zinc/21/72/56/1052217256.db2.gz OQXCKKCEXPPELH-MOPGFXCFSA-N 1 2 367.493 2.731 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001343553539 1052301635 /nfs/dbraw/zinc/30/16/35/1052301635.db2.gz HYUCZISCKMVBAH-ZWKOTPCHSA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001343553539 1052301640 /nfs/dbraw/zinc/30/16/40/1052301640.db2.gz HYUCZISCKMVBAH-ZWKOTPCHSA-N 1 2 359.518 2.874 20 30 FFEDLO COC(=O)c1ccc2c(c1)nc(C[NH2+]C1(c3cccc(C#N)c3)CC1)[nH]c2=O ZINC001307761352 1052346789 /nfs/dbraw/zinc/34/67/89/1052346789.db2.gz FHIXFYCZUCVLAC-UHFFFAOYSA-N 1 2 374.400 2.773 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2ncccn2)CC1 ZINC001308091447 1052404528 /nfs/dbraw/zinc/40/45/28/1052404528.db2.gz SWGLLNLTBNSNDU-UHFFFAOYSA-N 1 2 355.829 2.820 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCSC[C@@H]1C ZINC001343957944 1052511542 /nfs/dbraw/zinc/51/15/42/1052511542.db2.gz SUUDGNCIOVDPKB-HOTGVXAUSA-N 1 2 365.547 2.578 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCSC[C@@H]1C ZINC001343957944 1052511544 /nfs/dbraw/zinc/51/15/44/1052511544.db2.gz SUUDGNCIOVDPKB-HOTGVXAUSA-N 1 2 365.547 2.578 20 30 FFEDLO C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C[C@H]1CCCCO1 ZINC001345583644 1052522838 /nfs/dbraw/zinc/52/28/38/1052522838.db2.gz UHTMWUMZTZBWGT-ZACQAIPSSA-N 1 2 360.506 2.600 20 30 FFEDLO C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1C[C@H]1CCCCO1 ZINC001345583644 1052522843 /nfs/dbraw/zinc/52/28/43/1052522843.db2.gz UHTMWUMZTZBWGT-ZACQAIPSSA-N 1 2 360.506 2.600 20 30 FFEDLO N#CCCn1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)n1 ZINC001345977613 1052692808 /nfs/dbraw/zinc/69/28/08/1052692808.db2.gz FRJMHUQZFDSPEY-QGZVFWFLSA-N 1 2 355.417 2.929 20 30 FFEDLO N#CCCn1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)n1 ZINC001345977613 1052692809 /nfs/dbraw/zinc/69/28/09/1052692809.db2.gz FRJMHUQZFDSPEY-QGZVFWFLSA-N 1 2 355.417 2.929 20 30 FFEDLO N#Cc1csc(C(=O)OCC#Cc2csc(C[NH+]3CCOCC3)c2)c1 ZINC001345982893 1052694918 /nfs/dbraw/zinc/69/49/18/1052694918.db2.gz YZHRDURPSPWAQE-UHFFFAOYSA-N 1 2 372.471 2.722 20 30 FFEDLO Cc1ccoc1CC(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001345982034 1052695003 /nfs/dbraw/zinc/69/50/03/1052695003.db2.gz NNJUDPOLPQXGND-UHFFFAOYSA-N 1 2 359.447 2.619 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC2(CCCCO2)CC1 ZINC001345994824 1052699353 /nfs/dbraw/zinc/69/93/53/1052699353.db2.gz WJVGWXTWASWCEA-UHFFFAOYSA-N 1 2 370.501 2.718 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCO[C@@](C)(C(F)(F)F)C1 ZINC001346187980 1052781827 /nfs/dbraw/zinc/78/18/27/1052781827.db2.gz NFACGMKKOBLPDT-XJKSGUPXSA-N 1 2 373.423 2.779 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCO[C@@](C)(C(F)(F)F)C1 ZINC001346187980 1052781828 /nfs/dbraw/zinc/78/18/28/1052781828.db2.gz NFACGMKKOBLPDT-XJKSGUPXSA-N 1 2 373.423 2.779 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CC2CC2)C1 ZINC001346879525 1053406728 /nfs/dbraw/zinc/40/67/28/1053406728.db2.gz ZQVXESAILBLJOE-GOSISDBHSA-N 1 2 372.517 2.600 20 30 FFEDLO CC(C)[N@H+]1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CC2CC2)C1 ZINC001346879525 1053406734 /nfs/dbraw/zinc/40/67/34/1053406734.db2.gz ZQVXESAILBLJOE-GOSISDBHSA-N 1 2 372.517 2.600 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)cc1 ZINC001337339979 1054670667 /nfs/dbraw/zinc/67/06/67/1054670667.db2.gz FWQPQLIXCQGSGM-UYAOXDASSA-N 1 2 362.408 2.553 20 30 FFEDLO N#CC1(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CCOCC1 ZINC001337538723 1054829260 /nfs/dbraw/zinc/82/92/60/1054829260.db2.gz IAMMDSHMBCIOOO-SFHVURJKSA-N 1 2 359.445 2.617 20 30 FFEDLO N#CC1(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CCOCC1 ZINC001337538723 1054829270 /nfs/dbraw/zinc/82/92/70/1054829270.db2.gz IAMMDSHMBCIOOO-SFHVURJKSA-N 1 2 359.445 2.617 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)CCCSC ZINC001351534603 1054888514 /nfs/dbraw/zinc/88/85/14/1054888514.db2.gz JKIWMMVGPJTJAR-HOTGVXAUSA-N 1 2 365.547 2.579 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)CCCSC ZINC001351534603 1054888520 /nfs/dbraw/zinc/88/85/20/1054888520.db2.gz JKIWMMVGPJTJAR-HOTGVXAUSA-N 1 2 365.547 2.579 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)c1ccc(OC(C)C)cc1 ZINC001351605150 1054915776 /nfs/dbraw/zinc/91/57/76/1054915776.db2.gz QZVACXWATTWNSA-FUHWJXTLSA-N 1 2 371.485 2.757 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)c1ccc(OC(C)C)cc1 ZINC001351605150 1054915784 /nfs/dbraw/zinc/91/57/84/1054915784.db2.gz QZVACXWATTWNSA-FUHWJXTLSA-N 1 2 371.485 2.757 20 30 FFEDLO C#Cc1ccc(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)cc1 ZINC001351916486 1055063364 /nfs/dbraw/zinc/06/33/64/1055063364.db2.gz WVLBUTXBAMSABV-IBGZPJMESA-N 1 2 364.449 2.637 20 30 FFEDLO C#Cc1ccc(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)cc1 ZINC001351916486 1055063378 /nfs/dbraw/zinc/06/33/78/1055063378.db2.gz WVLBUTXBAMSABV-IBGZPJMESA-N 1 2 364.449 2.637 20 30 FFEDLO C=CCn1c([C@@H](O)C=C)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001352031437 1055137702 /nfs/dbraw/zinc/13/77/02/1055137702.db2.gz MKLDHIFUYZMGPL-KRWDZBQOSA-N 1 2 373.888 2.659 20 30 FFEDLO COc1cc(C#N)ccc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001338036302 1055185849 /nfs/dbraw/zinc/18/58/49/1055185849.db2.gz AJONPCNMENUAPP-HNNXBMFYSA-N 1 2 353.426 2.787 20 30 FFEDLO C#CC1CCN(c2nnc(Cc3[nH+]ccn3Cc3ccccc3)n2C)CC1 ZINC001338060888 1055203618 /nfs/dbraw/zinc/20/36/18/1055203618.db2.gz YIIBLYLTYHFCNR-UHFFFAOYSA-N 1 2 360.465 2.500 20 30 FFEDLO CN(c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@H]1CCCCO1)C1CC1 ZINC001349425812 1055249985 /nfs/dbraw/zinc/24/99/85/1055249985.db2.gz VTVFSBWYZUQYHX-GOSISDBHSA-N 1 2 372.517 2.539 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2ccccc2CC1 ZINC001338137720 1055260781 /nfs/dbraw/zinc/26/07/81/1055260781.db2.gz CURVUZKGARIZDJ-UHFFFAOYSA-N 1 2 364.497 2.513 20 30 FFEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@H](OC)C1 ZINC001356076029 1055267691 /nfs/dbraw/zinc/26/76/91/1055267691.db2.gz UBZGIZKIURHTAQ-AEFFLSMTSA-N 1 2 355.486 2.882 20 30 FFEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@H](OC)C1 ZINC001356076029 1055267697 /nfs/dbraw/zinc/26/76/97/1055267697.db2.gz UBZGIZKIURHTAQ-AEFFLSMTSA-N 1 2 355.486 2.882 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H](C)O[C@@H](CC)C1 ZINC001356082292 1055272020 /nfs/dbraw/zinc/27/20/20/1055272020.db2.gz AMIPLALYFZYGEO-AEFFLSMTSA-N 1 2 372.517 2.561 20 30 FFEDLO C#CC[C@H](CC)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC=C ZINC001356192286 1055371223 /nfs/dbraw/zinc/37/12/23/1055371223.db2.gz HGTDECRKSAXMCR-KRWDZBQOSA-N 1 2 350.470 2.703 20 30 FFEDLO C=CCC1(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001356351492 1055467886 /nfs/dbraw/zinc/46/78/86/1055467886.db2.gz MINSVZIBNQLTMA-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC1(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001356351492 1055467892 /nfs/dbraw/zinc/46/78/92/1055467892.db2.gz MINSVZIBNQLTMA-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]CC2(C#N)CCOCC2)cc1 ZINC001338436803 1055513452 /nfs/dbraw/zinc/51/34/52/1055513452.db2.gz RDSXXJVDUNGGNS-UHFFFAOYSA-N 1 2 364.511 2.668 20 30 FFEDLO C=CCn1c(C2Sc3ncccc3C2=O)nnc1N1CC[NH+](CC)CC1 ZINC001338634783 1055686542 /nfs/dbraw/zinc/68/65/42/1055686542.db2.gz BYGUGYKMIQXITO-UHFFFAOYSA-N 1 2 370.482 2.588 20 30 FFEDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)NC2CCN(CC#N)CC2)C1 ZINC001357241562 1055838419 /nfs/dbraw/zinc/83/84/19/1055838419.db2.gz FAGLPURMZABLJY-INIZCTEOSA-N 1 2 372.517 2.515 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@H]1c1ccccc1 ZINC001338896446 1055914204 /nfs/dbraw/zinc/91/42/04/1055914204.db2.gz WGFZUUZCGNLDBY-SQNIBIBYSA-N 1 2 353.470 2.543 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@H]1c1ccccc1 ZINC001338896446 1055914213 /nfs/dbraw/zinc/91/42/13/1055914213.db2.gz WGFZUUZCGNLDBY-SQNIBIBYSA-N 1 2 353.470 2.543 20 30 FFEDLO C=CCn1c([C@@H](C)O)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC001338944806 1055954102 /nfs/dbraw/zinc/95/41/02/1055954102.db2.gz OSYYYSXVRFDMOP-MRXNPFEDSA-N 1 2 370.501 2.655 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@H](c2nnc(N(C)[C@H](C)c3cccc(C#N)c3)n2C)C1 ZINC001351229067 1056145037 /nfs/dbraw/zinc/14/50/37/1056145037.db2.gz WBZNWLSBXGFMDB-QAPCUYQASA-N 1 2 368.485 2.666 20 30 FFEDLO CC(C)[N@H+]1CCO[C@H](c2nnc(N(C)[C@H](C)c3cccc(C#N)c3)n2C)C1 ZINC001351229067 1056145041 /nfs/dbraw/zinc/14/50/41/1056145041.db2.gz WBZNWLSBXGFMDB-QAPCUYQASA-N 1 2 368.485 2.666 20 30 FFEDLO Cn1c(CCCC#N)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001339189002 1056181398 /nfs/dbraw/zinc/18/13/98/1056181398.db2.gz YTCBEXLMXHDTPJ-UHFFFAOYSA-N 1 2 358.877 2.637 20 30 FFEDLO C=CC1(CC(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001358620961 1056382579 /nfs/dbraw/zinc/38/25/79/1056382579.db2.gz IAVUMAUPPRWGHA-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CC1(CC(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001358620961 1056382593 /nfs/dbraw/zinc/38/25/93/1056382593.db2.gz IAVUMAUPPRWGHA-BRWVUGGUSA-N 1 2 370.497 2.757 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc(CC2CC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001358894456 1056587283 /nfs/dbraw/zinc/58/72/83/1056587283.db2.gz PCKZISIOEPJMLO-INIZCTEOSA-N 1 2 360.465 2.923 20 30 FFEDLO C#CCN(CC)c1nnc([C@@H]2CCCCO2)n1CCCNc1cccc[nH+]1 ZINC001359008544 1056652508 /nfs/dbraw/zinc/65/25/08/1056652508.db2.gz SLYPNZKGCOAHJT-KRWDZBQOSA-N 1 2 368.485 2.876 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2C[C@@H]2CCc3ccccc32)CC1 ZINC001359028873 1056665456 /nfs/dbraw/zinc/66/54/56/1056665456.db2.gz HMOOQSMWDOFABD-IBGZPJMESA-N 1 2 363.509 2.887 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2C[C@H](OC)c2ccccc2)CC1 ZINC001359029172 1056665533 /nfs/dbraw/zinc/66/55/33/1056665533.db2.gz QQAKPGXUPBVVMU-IBGZPJMESA-N 1 2 367.497 2.544 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2Cc2ccc(C)s2)CC1 ZINC001359034954 1056667160 /nfs/dbraw/zinc/66/71/60/1056667160.db2.gz HNBPRHHQBKFKBY-UHFFFAOYSA-N 1 2 355.511 2.719 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CC2(OCC)CCCC2)CC1 ZINC001359035145 1056667240 /nfs/dbraw/zinc/66/72/40/1056667240.db2.gz MDVQJDQZABGFCE-UHFFFAOYSA-N 1 2 371.529 2.650 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2CCSCc2ccccc2)CC1 ZINC001359037205 1056668702 /nfs/dbraw/zinc/66/87/02/1056668702.db2.gz ZOBIYZYPGJZTTK-UHFFFAOYSA-N 1 2 369.538 2.529 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2C[C@@H](C)c2cccc(C)c2)CC1 ZINC001359036437 1056668765 /nfs/dbraw/zinc/66/87/65/1056668765.db2.gz WPIAJUVJENKEKR-GOSISDBHSA-N 1 2 351.498 2.708 20 30 FFEDLO C=CCN(C)c1nnc(-c2ccccc2F)n1CC1([NH+]2CCOCC2)CC1 ZINC001359236754 1056853224 /nfs/dbraw/zinc/85/32/24/1056853224.db2.gz YAOUJMNQWBDVKQ-UHFFFAOYSA-N 1 2 371.460 2.571 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001499082243 1058228625 /nfs/dbraw/zinc/22/86/25/1058228625.db2.gz QTXLRCNKVBCWMV-BHIFYINESA-N 1 2 362.473 2.784 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001499082243 1058228642 /nfs/dbraw/zinc/22/86/42/1058228642.db2.gz QTXLRCNKVBCWMV-BHIFYINESA-N 1 2 362.473 2.784 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@H]1C(F)(F)F ZINC001518016785 1058237357 /nfs/dbraw/zinc/23/73/57/1058237357.db2.gz CTSLEKOIJXPKCA-HUUCEWRRSA-N 1 2 373.396 2.673 20 30 FFEDLO C#CCSCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443886422 1058251684 /nfs/dbraw/zinc/25/16/84/1058251684.db2.gz LWUFKKQSBZWGRK-OAHLLOKOSA-N 1 2 354.878 2.926 20 30 FFEDLO C#CCSCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443886422 1058251697 /nfs/dbraw/zinc/25/16/97/1058251697.db2.gz LWUFKKQSBZWGRK-OAHLLOKOSA-N 1 2 354.878 2.926 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3C[N@H+](C(C)C)CCO3)n2CC2CC2)C1 ZINC001518223353 1058308668 /nfs/dbraw/zinc/30/86/68/1058308668.db2.gz RCVSGCPWDNBLDN-MJGOQNOKSA-N 1 2 371.529 2.710 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3C[N@@H+](C(C)C)CCO3)n2CC2CC2)C1 ZINC001518223353 1058308684 /nfs/dbraw/zinc/30/86/84/1058308684.db2.gz RCVSGCPWDNBLDN-MJGOQNOKSA-N 1 2 371.529 2.710 20 30 FFEDLO C#CC[C@H](CC)c1nnc(N2CC[NH+](CC#C)CC2)n1Cc1cccs1 ZINC001518568125 1058424553 /nfs/dbraw/zinc/42/45/53/1058424553.db2.gz HOCFNDAJMGEPLZ-KRWDZBQOSA-N 1 2 367.522 2.660 20 30 FFEDLO C#CCN(CC#N)C(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001518674858 1058455610 /nfs/dbraw/zinc/45/56/10/1058455610.db2.gz FYXLVRAIYAXORD-INIZCTEOSA-N 1 2 360.255 2.571 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc(Cc2[nH+]ccn2C)n1Cc1ccccc1 ZINC001354369854 1058911445 /nfs/dbraw/zinc/91/14/45/1058911445.db2.gz MCBBSJZFKXDYES-GOSISDBHSA-N 1 2 360.465 2.643 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001514420174 1058925435 /nfs/dbraw/zinc/92/54/35/1058925435.db2.gz ROBBQSFGRKJPSM-IAGOWNOFSA-N 1 2 360.502 2.827 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC1CC1 ZINC001519670703 1058938209 /nfs/dbraw/zinc/93/82/09/1058938209.db2.gz XDAQPIMMRGYDNX-QRVBRYPASA-N 1 2 369.513 2.606 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC1CC1 ZINC001519670703 1058938227 /nfs/dbraw/zinc/93/82/27/1058938227.db2.gz XDAQPIMMRGYDNX-QRVBRYPASA-N 1 2 369.513 2.606 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CC2(CC)CCCC2)CC1 ZINC001300699917 1059402243 /nfs/dbraw/zinc/40/22/43/1059402243.db2.gz JPZSWLCDKFXDOJ-SFHVURJKSA-N 1 2 371.529 2.508 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2Cc2ccccc2CC)CC1 ZINC001300706655 1059435969 /nfs/dbraw/zinc/43/59/69/1059435969.db2.gz QRBWDWUMTISQHN-UHFFFAOYSA-N 1 2 363.509 2.597 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001515304026 1059521114 /nfs/dbraw/zinc/52/11/14/1059521114.db2.gz AXSYGCZWNPNSNU-IKGGRYGDSA-N 1 2 360.502 2.790 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1ccsc1 ZINC001520252058 1059537060 /nfs/dbraw/zinc/53/70/60/1059537060.db2.gz GQTVTRPLBNZRFM-MRXNPFEDSA-N 1 2 361.515 2.944 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1ccsc1 ZINC001520252058 1059537073 /nfs/dbraw/zinc/53/70/73/1059537073.db2.gz GQTVTRPLBNZRFM-MRXNPFEDSA-N 1 2 361.515 2.944 20 30 FFEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001002643882 1059551819 /nfs/dbraw/zinc/55/18/19/1059551819.db2.gz RFNDZMBCXJTICG-RCCFBDPRSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001002643882 1059551834 /nfs/dbraw/zinc/55/18/34/1059551834.db2.gz RFNDZMBCXJTICG-RCCFBDPRSA-N 1 2 370.497 2.709 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2Cc2ccccc2Cl)CC1 ZINC001507727227 1059704162 /nfs/dbraw/zinc/70/41/62/1059704162.db2.gz HVVRAEKYPJIQGN-UHFFFAOYSA-N 1 2 369.900 2.688 20 30 FFEDLO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001508294743 1059848885 /nfs/dbraw/zinc/84/88/85/1059848885.db2.gz VWPZSXXWQBXOJK-RCCFBDPRSA-N 1 2 370.497 2.731 20 30 FFEDLO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001508294743 1059848909 /nfs/dbraw/zinc/84/89/09/1059848909.db2.gz VWPZSXXWQBXOJK-RCCFBDPRSA-N 1 2 370.497 2.731 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@]2(C)COC[C@]2(C)C1 ZINC001515995967 1059921550 /nfs/dbraw/zinc/92/15/50/1059921550.db2.gz CJLAXSYXDMZGPU-FFZOFVMBSA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@]2(C)COC[C@]2(C)C1 ZINC001515995967 1059921558 /nfs/dbraw/zinc/92/15/58/1059921558.db2.gz CJLAXSYXDMZGPU-FFZOFVMBSA-N 1 2 359.518 2.874 20 30 FFEDLO COc1ccc(C=NNCCCn2cc[nH+]c2)c(OCc2cccnc2)c1 ZINC000848416962 1059974158 /nfs/dbraw/zinc/97/41/58/1059974158.db2.gz FVHILHIQXNLJGV-UHFFFAOYSA-N 1 2 365.437 2.880 20 30 FFEDLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)[C@H](O)c2ccc(C#N)cc2)C1 ZINC001520905864 1060188086 /nfs/dbraw/zinc/18/80/86/1060188086.db2.gz KFWHPISPQVZMHH-IEBWSBKVSA-N 1 2 366.465 2.949 20 30 FFEDLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)NCc2ccc(C#N)cn2)C1 ZINC001521518582 1060631266 /nfs/dbraw/zinc/63/12/66/1060631266.db2.gz FLUYXPBHXBHADG-MRXNPFEDSA-N 1 2 366.469 2.994 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC(C=C)CC1 ZINC001355876323 1060684053 /nfs/dbraw/zinc/68/40/53/1060684053.db2.gz LUCYDBSCGLGOTD-ZWKOTPCHSA-N 1 2 357.502 2.792 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC(C=C)CC1 ZINC001355876323 1060684058 /nfs/dbraw/zinc/68/40/58/1060684058.db2.gz LUCYDBSCGLGOTD-ZWKOTPCHSA-N 1 2 357.502 2.792 20 30 FFEDLO C[C@@H]1CCN(S(=O)(=O)c2cccc(C#N)c2Cl)C[C@H]1n1cc[nH+]c1 ZINC001475089646 1060940314 /nfs/dbraw/zinc/94/03/14/1060940314.db2.gz YVWPQFPAYFSQPN-TZMCWYRMSA-N 1 2 364.858 2.680 20 30 FFEDLO C=CCO[C@@H]1CCN(c2nnc(CC)n2CCCNc2cccc[nH+]2)C1 ZINC001359321301 1060944082 /nfs/dbraw/zinc/94/40/82/1060944082.db2.gz DLLJMEMIRZNVMQ-MRXNPFEDSA-N 1 2 356.474 2.519 20 30 FFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543889207 1061085518 /nfs/dbraw/zinc/08/55/18/1061085518.db2.gz SFXUJZJAMPIZDV-GFCCVEGCSA-N 1 2 369.816 2.804 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460978308 1061175166 /nfs/dbraw/zinc/17/51/66/1061175166.db2.gz UEFJNMLOJMQLLE-QMTMVMCOSA-N 1 2 352.475 2.731 20 30 FFEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460978308 1061175173 /nfs/dbraw/zinc/17/51/73/1061175173.db2.gz UEFJNMLOJMQLLE-QMTMVMCOSA-N 1 2 352.475 2.731 20 30 FFEDLO C=CCCS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001475673147 1061194739 /nfs/dbraw/zinc/19/47/39/1061194739.db2.gz KXNGVMZEEVDAFC-HUUCEWRRSA-N 1 2 362.417 2.545 20 30 FFEDLO C=CCCS(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001475673147 1061194754 /nfs/dbraw/zinc/19/47/54/1061194754.db2.gz KXNGVMZEEVDAFC-HUUCEWRRSA-N 1 2 362.417 2.545 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001522155689 1061635753 /nfs/dbraw/zinc/63/57/53/1061635753.db2.gz LGJZCHOUPLGGGT-SQNIBIBYSA-N 1 2 370.497 2.658 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc([C@@H]2CCCC[N@H+]2C)n1Cc1cc(C)on1 ZINC001528340812 1061869446 /nfs/dbraw/zinc/86/94/46/1061869446.db2.gz IYZJGGGSQMTZHX-ROUUACIJSA-N 1 2 368.485 2.772 20 30 FFEDLO C#C[C@H]1CCCCN1c1nnc([C@@H]2CCCC[N@@H+]2C)n1Cc1cc(C)on1 ZINC001528340812 1061869460 /nfs/dbraw/zinc/86/94/60/1061869460.db2.gz IYZJGGGSQMTZHX-ROUUACIJSA-N 1 2 368.485 2.772 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC(NC(=O)CCC)CC1 ZINC001523991355 1062680564 /nfs/dbraw/zinc/68/05/64/1062680564.db2.gz KTWUQZRXOBCQOV-KRWDZBQOSA-N 1 2 374.533 2.506 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC(NC(=O)CCC)CC1 ZINC001523991355 1062680579 /nfs/dbraw/zinc/68/05/79/1062680579.db2.gz KTWUQZRXOBCQOV-KRWDZBQOSA-N 1 2 374.533 2.506 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)[C@@H]1C ZINC001479700293 1062823590 /nfs/dbraw/zinc/82/35/90/1062823590.db2.gz GKBHNRNSLDFZII-FMKPAKJESA-N 1 2 351.878 2.795 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)[C@@H]1C ZINC001479700293 1062823609 /nfs/dbraw/zinc/82/36/09/1062823609.db2.gz GKBHNRNSLDFZII-FMKPAKJESA-N 1 2 351.878 2.795 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C3CC3)oc2C2CC2)[C@H]1C ZINC001479713393 1062883532 /nfs/dbraw/zinc/88/35/32/1062883532.db2.gz RYWHDTARELMUDF-DYVFJYSZSA-N 1 2 371.481 2.529 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C3CC3)oc2C2CC2)[C@H]1C ZINC001479713393 1062883552 /nfs/dbraw/zinc/88/35/52/1062883552.db2.gz RYWHDTARELMUDF-DYVFJYSZSA-N 1 2 371.481 2.529 20 30 FFEDLO N#Cc1ccsc1NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001466983653 1063611266 /nfs/dbraw/zinc/61/12/66/1063611266.db2.gz QLSDHYKORJCDCY-UHFFFAOYSA-N 1 2 356.451 2.848 20 30 FFEDLO COc1ncc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1C#N ZINC001467270350 1063693866 /nfs/dbraw/zinc/69/38/66/1063693866.db2.gz QFZPXFFNASLYLE-UHFFFAOYSA-N 1 2 362.393 2.528 20 30 FFEDLO C=C[C@@H](C)ONC(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC001574872128 1078089971 /nfs/dbraw/zinc/08/99/71/1078089971.db2.gz HBWMCZUZZYESOT-GFCCVEGCSA-N 1 2 353.260 2.693 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]Cc2cn[nH]n2)C1 ZINC001575049969 1078101296 /nfs/dbraw/zinc/10/12/96/1078101296.db2.gz UQPMVVFYCBTERT-RBUKOAKNSA-N 1 2 371.460 2.774 20 30 FFEDLO C=CC(C)(C)C(=O)N1CCC(C[NH2+]Cc2c[nH]nn2)(c2ccccc2)CC1 ZINC001575061125 1078102217 /nfs/dbraw/zinc/10/22/17/1078102217.db2.gz BOJLIJSUJSSAQV-UHFFFAOYSA-N 1 2 367.497 2.667 20 30 FFEDLO C=CC(C)(C)C(=O)N1CCC(C[NH2+]Cc2cn[nH]n2)(c2ccccc2)CC1 ZINC001575061125 1078102218 /nfs/dbraw/zinc/10/22/18/1078102218.db2.gz BOJLIJSUJSSAQV-UHFFFAOYSA-N 1 2 367.497 2.667 20 30 FFEDLO C=CCC[C@@H](C)[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)c2coc(C)n2)CC1 ZINC001575088004 1078104731 /nfs/dbraw/zinc/10/47/31/1078104731.db2.gz SGFJMGVSXUPSKZ-CQSZACIVSA-N 1 2 372.473 2.563 20 30 FFEDLO C=CCC[C@H](C)[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)c2coc(C)n2)CC1 ZINC001575088003 1078104766 /nfs/dbraw/zinc/10/47/66/1078104766.db2.gz SGFJMGVSXUPSKZ-AWEZNQCLSA-N 1 2 372.473 2.563 20 30 FFEDLO C=CCC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001575097904 1078106620 /nfs/dbraw/zinc/10/66/20/1078106620.db2.gz UYAXBNUASDPERM-LZQZEXGQSA-N 1 2 357.502 2.610 20 30 FFEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC001578477018 1078478966 /nfs/dbraw/zinc/47/89/66/1078478966.db2.gz GXTNEIYPQLPDRX-SFHVURJKSA-N 1 2 359.376 2.511 20 30 FFEDLO C#CCCCCCC(=O)N(CC)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001582356439 1079042742 /nfs/dbraw/zinc/04/27/42/1079042742.db2.gz XSIDLYUGQIDYRR-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO C#CCCCCCC(=O)N(CC)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001582356439 1079042750 /nfs/dbraw/zinc/04/27/50/1079042750.db2.gz XSIDLYUGQIDYRR-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)nc1 ZINC001558464654 1076011214 /nfs/dbraw/zinc/01/12/14/1076011214.db2.gz KVYNBMJTKOVFMX-GOSISDBHSA-N 1 2 372.432 2.856 20 30 FFEDLO C=CCCn1cc(CNc2[nH+]cnc3c2cnn3-c2ccccc2F)nn1 ZINC001559216919 1076136159 /nfs/dbraw/zinc/13/61/59/1076136159.db2.gz SBDSLHFXGGPZBR-UHFFFAOYSA-N 1 2 364.388 2.734 20 30 FFEDLO C=CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC001559597668 1076175902 /nfs/dbraw/zinc/17/59/02/1076175902.db2.gz NDYLJMYVSSVFLA-CYBMUJFWSA-N 1 2 358.891 2.620 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC001560077117 1076222681 /nfs/dbraw/zinc/22/26/81/1076222681.db2.gz AIEVZLOKOVFILJ-UHFFFAOYSA-N 1 2 352.394 2.797 20 30 FFEDLO C=CC[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)C1 ZINC001565224300 1076699319 /nfs/dbraw/zinc/69/93/19/1076699319.db2.gz IMKWAHJZBWBROX-UYAOXDASSA-N 1 2 357.498 2.803 20 30 FFEDLO C=CC[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)C1 ZINC001565224300 1076699320 /nfs/dbraw/zinc/69/93/20/1076699320.db2.gz IMKWAHJZBWBROX-UYAOXDASSA-N 1 2 357.498 2.803 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)CC[C@@H]2C1 ZINC001566045365 1076873694 /nfs/dbraw/zinc/87/36/94/1076873694.db2.gz VYLKGEDXMIOGDL-MSOLQXFVSA-N 1 2 371.529 2.977 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)CC[C@@H]2C1 ZINC001566045365 1076873697 /nfs/dbraw/zinc/87/36/97/1076873697.db2.gz VYLKGEDXMIOGDL-MSOLQXFVSA-N 1 2 371.529 2.977 20 30 FFEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3OC)o2)[C@@H]1C ZINC001566082785 1076889173 /nfs/dbraw/zinc/88/91/73/1076889173.db2.gz OPEQHZJNDXSNBM-ZBFHGGJFSA-N 1 2 370.453 2.790 20 30 FFEDLO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3OC)o2)[C@@H]1C ZINC001566082785 1076889176 /nfs/dbraw/zinc/88/91/76/1076889176.db2.gz OPEQHZJNDXSNBM-ZBFHGGJFSA-N 1 2 370.453 2.790 20 30 FFEDLO CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C1=O ZINC001568440372 1077092348 /nfs/dbraw/zinc/09/23/48/1077092348.db2.gz SYWWDGZWTZPDPI-LIRRHRJNSA-N 1 2 366.506 2.561 20 30 FFEDLO CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C1=O ZINC001568440372 1077092353 /nfs/dbraw/zinc/09/23/53/1077092353.db2.gz SYWWDGZWTZPDPI-LIRRHRJNSA-N 1 2 366.506 2.561 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1cnc(Cl)s1 ZINC001569142335 1077132259 /nfs/dbraw/zinc/13/22/59/1077132259.db2.gz KUWGXGLFRPHLCC-UBHSHLNASA-N 1 2 357.907 2.714 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1cnc(Cl)s1 ZINC001569142335 1077132261 /nfs/dbraw/zinc/13/22/61/1077132261.db2.gz KUWGXGLFRPHLCC-UBHSHLNASA-N 1 2 357.907 2.714 20 30 FFEDLO C=C(CC(C)C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001570073959 1077181018 /nfs/dbraw/zinc/18/10/18/1077181018.db2.gz XVXNBLMBAILREV-KRWDZBQOSA-N 1 2 365.518 2.742 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001572918930 1077437278 /nfs/dbraw/zinc/43/72/78/1077437278.db2.gz RXHRCNPESHIXMI-HBUWYVDXSA-N 1 2 354.454 2.742 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001573090052 1077529924 /nfs/dbraw/zinc/52/99/24/1077529924.db2.gz GZKVUAYZVZXLBX-MBOZVWFJSA-N 1 2 360.502 2.809 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001574282661 1077947578 /nfs/dbraw/zinc/94/75/78/1077947578.db2.gz BTAZQRADAIZTPE-BGTYHANMSA-N 1 2 372.513 2.777 20 30 FFEDLO C#CCCCn1c(CC(C)C)nnc1N1CCC[C@H]([NH2+]CC(F)F)C1 ZINC001574582130 1078026272 /nfs/dbraw/zinc/02/62/72/1078026272.db2.gz DDVDFWANZLMZEO-HNNXBMFYSA-N 1 2 353.461 2.714 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C)cc2F)CC1 ZINC001588733643 1080175207 /nfs/dbraw/zinc/17/52/07/1080175207.db2.gz XEXRJIYPTLFJGU-UHFFFAOYSA-N 1 2 369.488 2.827 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CCCCOC(C)C)CC1 ZINC001588742116 1080177409 /nfs/dbraw/zinc/17/74/09/1080177409.db2.gz NOGOKXIGJNJTCD-UHFFFAOYSA-N 1 2 361.534 2.536 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001588742312 1080178688 /nfs/dbraw/zinc/17/86/88/1080178688.db2.gz QEIUMZCSCMTMHA-ZWKOTPCHSA-N 1 2 373.545 2.536 20 30 FFEDLO CC(=[NH+]Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(N2CCOCC2)cc1 ZINC001588780695 1080192362 /nfs/dbraw/zinc/19/23/62/1080192362.db2.gz JVDKYTGPHZMQNN-UHFFFAOYSA-N 1 2 363.425 2.539 20 30 FFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105298244 250207745 /nfs/dbraw/zinc/20/77/45/250207745.db2.gz KGNDEPXCEZZVIB-IRXDYDNUSA-N 1 2 358.486 2.587 20 30 FFEDLO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)c1 ZINC000106221883 250258759 /nfs/dbraw/zinc/25/87/59/250258759.db2.gz FTWHWPMVTISKKF-GOEBONIOSA-N 1 2 355.442 2.937 20 30 FFEDLO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)c1 ZINC000106221883 250258764 /nfs/dbraw/zinc/25/87/64/250258764.db2.gz FTWHWPMVTISKKF-GOEBONIOSA-N 1 2 355.442 2.937 20 30 FFEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118397617 250384642 /nfs/dbraw/zinc/38/46/42/250384642.db2.gz XYOPGIJGSMTCOA-IAGOWNOFSA-N 1 2 354.498 2.684 20 30 FFEDLO C[N@H+](CCCOc1cccc(C#N)c1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000131688473 251010850 /nfs/dbraw/zinc/01/08/50/251010850.db2.gz NESBTSGSFWUTSI-UHFFFAOYSA-N 1 2 354.435 2.757 20 30 FFEDLO C[N@@H+](CCCOc1cccc(C#N)c1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000131688473 251010851 /nfs/dbraw/zinc/01/08/51/251010851.db2.gz NESBTSGSFWUTSI-UHFFFAOYSA-N 1 2 354.435 2.757 20 30 FFEDLO C[N@@H+]1CCc2nc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)sc2C1 ZINC000131815053 251021428 /nfs/dbraw/zinc/02/14/28/251021428.db2.gz QCACZTGYWVKGKV-UHFFFAOYSA-N 1 2 356.451 2.799 20 30 FFEDLO C[N@H+]1CCc2nc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)sc2C1 ZINC000131815053 251021433 /nfs/dbraw/zinc/02/14/33/251021433.db2.gz QCACZTGYWVKGKV-UHFFFAOYSA-N 1 2 356.451 2.799 20 30 FFEDLO C[N@@H+](Cc1nc2c(s1)CCCC2)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000175549001 251227205 /nfs/dbraw/zinc/22/72/05/251227205.db2.gz UVEMNJUHAINMJK-OAHLLOKOSA-N 1 2 357.479 2.765 20 30 FFEDLO C[N@H+](Cc1nc2c(s1)CCCC2)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000175549001 251227208 /nfs/dbraw/zinc/22/72/08/251227208.db2.gz UVEMNJUHAINMJK-OAHLLOKOSA-N 1 2 357.479 2.765 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(C#N)c1C ZINC000285759426 257003222 /nfs/dbraw/zinc/00/32/22/257003222.db2.gz ZHHREPDFTSBBKB-MEDUHNTESA-N 1 2 373.375 2.874 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(C#N)c1C ZINC000285759426 257003223 /nfs/dbraw/zinc/00/32/23/257003223.db2.gz ZHHREPDFTSBBKB-MEDUHNTESA-N 1 2 373.375 2.874 20 30 FFEDLO CC(C)[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1[nH]cc[nH+]1 ZINC000276697668 256122339 /nfs/dbraw/zinc/12/23/39/256122339.db2.gz QTTLEAJNHAOITK-GOSISDBHSA-N 1 2 353.426 2.904 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]([C@@H](O)C(F)(F)F)C3)o2)cc1 ZINC000277930567 256257051 /nfs/dbraw/zinc/25/70/51/256257051.db2.gz YRJMXCJQFWUBOD-DZGCQCFKSA-N 1 2 366.343 2.743 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]([C@@H](O)C(F)(F)F)C3)o2)cc1 ZINC000277930567 256257053 /nfs/dbraw/zinc/25/70/53/256257053.db2.gz YRJMXCJQFWUBOD-DZGCQCFKSA-N 1 2 366.343 2.743 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c(C#N)c1C ZINC000287563968 257095981 /nfs/dbraw/zinc/09/59/81/257095981.db2.gz BKPVZKNBQHVVLF-WMLDXEAASA-N 1 2 368.437 2.781 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](OCc3ccncc3)C2)c(C#N)c1C ZINC000287563968 257095982 /nfs/dbraw/zinc/09/59/82/257095982.db2.gz BKPVZKNBQHVVLF-WMLDXEAASA-N 1 2 368.437 2.781 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(C#N)ccn2)[C@H](C)C1 ZINC000288126624 257150180 /nfs/dbraw/zinc/15/01/80/257150180.db2.gz KJZQMRCLEGYJCC-MRXNPFEDSA-N 1 2 364.449 2.698 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(C#N)ccn2)[C@H](C)C1 ZINC000288126624 257150181 /nfs/dbraw/zinc/15/01/81/257150181.db2.gz KJZQMRCLEGYJCC-MRXNPFEDSA-N 1 2 364.449 2.698 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCC1(F)F ZINC000289777802 257298607 /nfs/dbraw/zinc/29/86/07/257298607.db2.gz LQDOFXPEAJSWOY-CYBMUJFWSA-N 1 2 359.380 2.660 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCC1(F)F ZINC000289777802 257298608 /nfs/dbraw/zinc/29/86/08/257298608.db2.gz LQDOFXPEAJSWOY-CYBMUJFWSA-N 1 2 359.380 2.660 20 30 FFEDLO CC(C)OCc1nc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)no1 ZINC000290018908 257311624 /nfs/dbraw/zinc/31/16/24/257311624.db2.gz UYLYFYJYKVZAOV-CYBMUJFWSA-N 1 2 357.414 2.546 20 30 FFEDLO COc1ccc(OC)c(C[NH+]2CCN(c3ccc(Cl)c(C#N)n3)CC2)c1 ZINC000301154069 258029393 /nfs/dbraw/zinc/02/93/93/258029393.db2.gz QLKPSAJIKQJLJW-UHFFFAOYSA-N 1 2 372.856 2.946 20 30 FFEDLO Cc1cc(N2CCN(c3nc4ccccn4c3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000301147330 258029677 /nfs/dbraw/zinc/02/96/77/258029677.db2.gz HMZVSTOGZPRQBJ-UHFFFAOYSA-N 1 2 361.453 2.754 20 30 FFEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000301181533 258031987 /nfs/dbraw/zinc/03/19/87/258031987.db2.gz PADYTOYIAZGGMP-CYBMUJFWSA-N 1 2 368.403 2.614 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1Cl ZINC000301236034 258036483 /nfs/dbraw/zinc/03/64/83/258036483.db2.gz KGIHYZLZWXIRME-UHFFFAOYSA-N 1 2 354.841 2.972 20 30 FFEDLO CC(C)N1CCC[C@H]([NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)C1=O ZINC000328623318 258116380 /nfs/dbraw/zinc/11/63/80/258116380.db2.gz YTDVNARTTLPWFV-SFHVURJKSA-N 1 2 360.889 2.733 20 30 FFEDLO N#Cc1c(Cl)nsc1N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000301646092 258060849 /nfs/dbraw/zinc/06/08/49/258060849.db2.gz NWVDQPUTRJCAJL-LSDHHAIUSA-N 1 2 360.870 2.758 20 30 FFEDLO N#Cc1c(Cl)nsc1N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000301646092 258060851 /nfs/dbraw/zinc/06/08/51/258060851.db2.gz NWVDQPUTRJCAJL-LSDHHAIUSA-N 1 2 360.870 2.758 20 30 FFEDLO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1nc(C(C)(C)C)no1 ZINC000331451537 258186565 /nfs/dbraw/zinc/18/65/65/258186565.db2.gz XSNJOETVQFIKGS-CMPLNLGQSA-N 1 2 359.455 2.756 20 30 FFEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(Cc3cccc(C#N)c3F)CC2)C1 ZINC000331975855 258208289 /nfs/dbraw/zinc/20/82/89/258208289.db2.gz MKIHWTOOMHKOPQ-VQIMIIECSA-N 1 2 372.488 2.510 20 30 FFEDLO COc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000331699542 258196833 /nfs/dbraw/zinc/19/68/33/258196833.db2.gz WOLLKFDBRPKLNF-HNNXBMFYSA-N 1 2 353.426 2.787 20 30 FFEDLO N#Cc1ccc(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000065842730 506378135 /nfs/dbraw/zinc/37/81/35/506378135.db2.gz YWOSIGSSNVXPPH-UHFFFAOYSA-N 1 2 365.780 2.975 20 30 FFEDLO C=CCc1cc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc(OC)c1OC ZINC000371044067 512192023 /nfs/dbraw/zinc/19/20/23/512192023.db2.gz PRIKIKWNUVJVQO-HNNXBMFYSA-N 1 2 355.438 2.796 20 30 FFEDLO Cc1n[nH]cc1C1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000375347974 512279714 /nfs/dbraw/zinc/27/97/14/512279714.db2.gz GQSBTHUPDPQGJK-MRXNPFEDSA-N 1 2 355.467 2.636 20 30 FFEDLO CC[N@@H+](CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)C[C@H](C)C#N ZINC000066425039 506513982 /nfs/dbraw/zinc/51/39/82/506513982.db2.gz RHZFBQSIFKXFJH-OAHLLOKOSA-N 1 2 353.470 2.587 20 30 FFEDLO CC[N@H+](CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)C[C@H](C)C#N ZINC000066425039 506513985 /nfs/dbraw/zinc/51/39/85/506513985.db2.gz RHZFBQSIFKXFJH-OAHLLOKOSA-N 1 2 353.470 2.587 20 30 FFEDLO C=CC[N@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)Cc1ccc(OC)cc1 ZINC000054273006 506528295 /nfs/dbraw/zinc/52/82/95/506528295.db2.gz CKVGMOBARFEPJI-HXUWFJFHSA-N 1 2 366.461 2.803 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)Cc1ccc(OC)cc1 ZINC000054273006 506528304 /nfs/dbraw/zinc/52/83/04/506528304.db2.gz CKVGMOBARFEPJI-HXUWFJFHSA-N 1 2 366.461 2.803 20 30 FFEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)c(OC)c1 ZINC000007740596 506587834 /nfs/dbraw/zinc/58/78/34/506587834.db2.gz XVMRQKQSNXCBIE-XLIONFOSSA-N 1 2 357.454 2.649 20 30 FFEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)c(OC)c1 ZINC000007740596 506587841 /nfs/dbraw/zinc/58/78/41/506587841.db2.gz XVMRQKQSNXCBIE-XLIONFOSSA-N 1 2 357.454 2.649 20 30 FFEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C2CC2)c(OC)c1 ZINC000007740583 506588049 /nfs/dbraw/zinc/58/80/49/506588049.db2.gz XVMRQKQSNXCBIE-YLJYHZDGSA-N 1 2 357.454 2.649 20 30 FFEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C2CC2)c(OC)c1 ZINC000007740583 506588054 /nfs/dbraw/zinc/58/80/54/506588054.db2.gz XVMRQKQSNXCBIE-YLJYHZDGSA-N 1 2 357.454 2.649 20 30 FFEDLO N#Cc1cccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000043329514 506734242 /nfs/dbraw/zinc/73/42/42/506734242.db2.gz MBBJDPYFJAZNHL-LJQANCHMSA-N 1 2 350.422 2.753 20 30 FFEDLO N#Cc1cccc([C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC000371265427 512296764 /nfs/dbraw/zinc/29/67/64/512296764.db2.gz ACFPYDOUFUJNMQ-HXUWFJFHSA-N 1 2 358.401 2.958 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(CC#N)c3)c[nH+]2)C[C@@H](C)O1 ZINC000044537481 506856298 /nfs/dbraw/zinc/85/62/98/506856298.db2.gz WZIZVRJYPHKWGM-HZPDHXFCSA-N 1 2 364.449 2.691 20 30 FFEDLO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367057384 512318211 /nfs/dbraw/zinc/31/82/11/512318211.db2.gz JCXDZWIYDDIBRG-QGZVFWFLSA-N 1 2 360.461 2.917 20 30 FFEDLO Cc1nc(SCC(=O)NCc2ccc(N(C)C)[nH+]c2)c(C#N)c(C)c1C ZINC000056893628 507118656 /nfs/dbraw/zinc/11/86/56/507118656.db2.gz QUUJOUOTAQJHCV-UHFFFAOYSA-N 1 2 369.494 2.748 20 30 FFEDLO C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367068309 512323059 /nfs/dbraw/zinc/32/30/59/512323059.db2.gz WTVURGBQEJOMCX-SFHVURJKSA-N 1 2 362.477 2.986 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)N3CCCc4ccccc43)CC2)cc1 ZINC000023257775 507343373 /nfs/dbraw/zinc/34/33/73/507343373.db2.gz KXSHAFPZFHWCAI-UHFFFAOYSA-N 1 2 374.488 2.655 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000068860704 507344509 /nfs/dbraw/zinc/34/45/09/507344509.db2.gz UGVZACUOKPGAFX-UHFFFAOYSA-N 1 2 364.449 2.991 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000068860704 507344514 /nfs/dbraw/zinc/34/45/14/507344514.db2.gz UGVZACUOKPGAFX-UHFFFAOYSA-N 1 2 364.449 2.991 20 30 FFEDLO CC(C)CN(CC(C)C)C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000057883373 507348223 /nfs/dbraw/zinc/34/82/23/507348223.db2.gz KMKZMUMLJCENOS-UHFFFAOYSA-N 1 2 370.541 2.816 20 30 FFEDLO CC(C)CN(CC(C)C)C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000057883373 507348225 /nfs/dbraw/zinc/34/82/25/507348225.db2.gz KMKZMUMLJCENOS-UHFFFAOYSA-N 1 2 370.541 2.816 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000023381240 507349905 /nfs/dbraw/zinc/34/99/05/507349905.db2.gz MVTCGWCHKKWWTP-GOSISDBHSA-N 1 2 352.394 2.779 20 30 FFEDLO N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000023381240 507349906 /nfs/dbraw/zinc/34/99/06/507349906.db2.gz MVTCGWCHKKWWTP-GOSISDBHSA-N 1 2 352.394 2.779 20 30 FFEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000058338456 507406547 /nfs/dbraw/zinc/40/65/47/507406547.db2.gz ZSUZLHCPSPRNKO-UHFFFAOYSA-N 1 2 357.479 2.840 20 30 FFEDLO Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000069615161 507523457 /nfs/dbraw/zinc/52/34/57/507523457.db2.gz ASGIENVIEXAYQN-LJQANCHMSA-N 1 2 364.449 2.889 20 30 FFEDLO Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000069615161 507523460 /nfs/dbraw/zinc/52/34/60/507523460.db2.gz ASGIENVIEXAYQN-LJQANCHMSA-N 1 2 364.449 2.889 20 30 FFEDLO Cc1ccc(C(C)C)cc1OCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000060634305 507571120 /nfs/dbraw/zinc/57/11/20/507571120.db2.gz XAHPOOUMGPWRED-UHFFFAOYSA-N 1 2 373.497 2.572 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)c1cccc(C#N)c1 ZINC000060950079 507587474 /nfs/dbraw/zinc/58/74/74/507587474.db2.gz CKCYZTLJMJXBLG-UHFFFAOYSA-N 1 2 354.435 2.585 20 30 FFEDLO C=CC[N@@H+](CC(=O)N[C@H](Cc1ccccc1)C(C)=O)Cc1ccccc1 ZINC000027776140 507684366 /nfs/dbraw/zinc/68/43/66/507684366.db2.gz OJBQBLGBVWZJHO-OAQYLSRUSA-N 1 2 350.462 2.991 20 30 FFEDLO C=CC[N@H+](CC(=O)N[C@H](Cc1ccccc1)C(C)=O)Cc1ccccc1 ZINC000027776140 507684373 /nfs/dbraw/zinc/68/43/73/507684373.db2.gz OJBQBLGBVWZJHO-OAQYLSRUSA-N 1 2 350.462 2.991 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000367136867 512355032 /nfs/dbraw/zinc/35/50/32/512355032.db2.gz BEPWPHZGDOBSBF-RTBURBONSA-N 1 2 353.378 2.573 20 30 FFEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000367136867 512355035 /nfs/dbraw/zinc/35/50/35/512355035.db2.gz BEPWPHZGDOBSBF-RTBURBONSA-N 1 2 353.378 2.573 20 30 FFEDLO C=CC[N@H+](CC(=O)NC(=O)NCc1ccccc1)Cc1cccc(C#N)c1 ZINC000063300873 507713658 /nfs/dbraw/zinc/71/36/58/507713658.db2.gz FVSBDGULPMTEAN-UHFFFAOYSA-N 1 2 362.433 2.572 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC(=O)NCc1ccccc1)Cc1cccc(C#N)c1 ZINC000063300873 507713663 /nfs/dbraw/zinc/71/36/63/507713663.db2.gz FVSBDGULPMTEAN-UHFFFAOYSA-N 1 2 362.433 2.572 20 30 FFEDLO COc1cc(OC)cc([C@H](NC[C@H](C#N)CCC#N)c2[nH+]ccn2C)c1 ZINC000028692538 507736963 /nfs/dbraw/zinc/73/69/63/507736963.db2.gz BOVGZZWIYZTHNF-KSSFIOAISA-N 1 2 353.426 2.560 20 30 FFEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000051208919 507749774 /nfs/dbraw/zinc/74/97/74/507749774.db2.gz BOBFZTZOQAEHMW-UHFFFAOYSA-N 1 2 353.397 2.534 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1SCC(N)=O)Cc1ccccc1 ZINC000028986919 507752708 /nfs/dbraw/zinc/75/27/08/507752708.db2.gz SLCWMHFKXMXAPT-UHFFFAOYSA-N 1 2 369.490 2.891 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1ccccc1SCC(N)=O)Cc1ccccc1 ZINC000028986919 507752714 /nfs/dbraw/zinc/75/27/14/507752714.db2.gz SLCWMHFKXMXAPT-UHFFFAOYSA-N 1 2 369.490 2.891 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)cc1 ZINC000063754340 507767705 /nfs/dbraw/zinc/76/77/05/507767705.db2.gz WNGMCZWKHSQQHQ-UHFFFAOYSA-N 1 2 353.422 2.654 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)cc1 ZINC000063754340 507767708 /nfs/dbraw/zinc/76/77/08/507767708.db2.gz WNGMCZWKHSQQHQ-UHFFFAOYSA-N 1 2 353.422 2.654 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000063839915 507775389 /nfs/dbraw/zinc/77/53/89/507775389.db2.gz IZNANMLVGGEQBQ-HNNXBMFYSA-N 1 2 353.426 2.534 20 30 FFEDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1C ZINC000029448921 507777933 /nfs/dbraw/zinc/77/79/33/507777933.db2.gz ZUYAJEHPYFPLDY-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO CCOc1ccc(C(C)=O)cc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029444832 507778066 /nfs/dbraw/zinc/77/80/66/507778066.db2.gz LIYLPCTZJMKSBZ-UHFFFAOYSA-N 1 2 364.449 2.877 20 30 FFEDLO CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000029444405 507778390 /nfs/dbraw/zinc/77/83/90/507778390.db2.gz DFGAZQWQJSNBMO-MRXNPFEDSA-N 1 2 363.465 2.665 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000029861799 507793530 /nfs/dbraw/zinc/79/35/30/507793530.db2.gz DQSILHWYKKNELN-FZKQIMNGSA-N 1 2 364.877 2.653 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000029861799 507793532 /nfs/dbraw/zinc/79/35/32/507793532.db2.gz DQSILHWYKKNELN-FZKQIMNGSA-N 1 2 364.877 2.653 20 30 FFEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCOCC1 ZINC000072520586 507802063 /nfs/dbraw/zinc/80/20/63/507802063.db2.gz ZPVILGQSBZCZQW-FQEVSTJZSA-N 1 2 370.497 2.591 20 30 FFEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000072590297 507828705 /nfs/dbraw/zinc/82/87/05/507828705.db2.gz WUHAUWZUTCHEIC-UHFFFAOYSA-N 1 2 354.204 2.970 20 30 FFEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)Nc2ccc(C)cc2F)cs1 ZINC000072920081 507873574 /nfs/dbraw/zinc/87/35/74/507873574.db2.gz FZYMGMDVATVHJJ-SNVBAGLBSA-N 1 2 350.419 2.758 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(Br)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000090554222 507927392 /nfs/dbraw/zinc/92/73/92/507927392.db2.gz SYJDNCAHYFDCRJ-CQSZACIVSA-N 1 2 358.301 2.933 20 30 FFEDLO C=CC[N@H+](Cc1cccc(Br)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000090554222 507927394 /nfs/dbraw/zinc/92/73/94/507927394.db2.gz SYJDNCAHYFDCRJ-CQSZACIVSA-N 1 2 358.301 2.933 20 30 FFEDLO Cn1cc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000109141533 507942510 /nfs/dbraw/zinc/94/25/10/507942510.db2.gz YDSGVEFIAJXVSH-UHFFFAOYSA-N 1 2 372.472 2.937 20 30 FFEDLO COc1ccc(CCC(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000109231716 507948511 /nfs/dbraw/zinc/94/85/11/507948511.db2.gz CJVTVSBBSAAHPJ-UHFFFAOYSA-N 1 2 363.461 2.844 20 30 FFEDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091068264 507949098 /nfs/dbraw/zinc/94/90/98/507949098.db2.gz LQKUZKYSYQBHHZ-MRXNPFEDSA-N 1 2 351.454 2.543 20 30 FFEDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091068264 507949100 /nfs/dbraw/zinc/94/91/00/507949100.db2.gz LQKUZKYSYQBHHZ-MRXNPFEDSA-N 1 2 351.454 2.543 20 30 FFEDLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091072133 507949660 /nfs/dbraw/zinc/94/96/60/507949660.db2.gz TVBNLWYZXNUYOE-MRXNPFEDSA-N 1 2 352.438 2.828 20 30 FFEDLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091072133 507949663 /nfs/dbraw/zinc/94/96/63/507949663.db2.gz TVBNLWYZXNUYOE-MRXNPFEDSA-N 1 2 352.438 2.828 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1C#N ZINC000091072172 507949759 /nfs/dbraw/zinc/94/97/59/507949759.db2.gz GQZXXCAPBPIPIW-HKUYNNGSSA-N 1 2 354.479 2.759 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1C#N ZINC000091072172 507949762 /nfs/dbraw/zinc/94/97/62/507949762.db2.gz GQZXXCAPBPIPIW-HKUYNNGSSA-N 1 2 354.479 2.759 20 30 FFEDLO C[S@@](=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000092612884 508086847 /nfs/dbraw/zinc/08/68/47/508086847.db2.gz MMIQQYXOZCTOFB-VWLOTQADSA-N 1 2 357.454 2.757 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c(C)o1 ZINC000080905882 508110225 /nfs/dbraw/zinc/11/02/25/508110225.db2.gz SHNNOTQKBZRECC-SFHVURJKSA-N 1 2 353.422 2.757 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000080907918 508110908 /nfs/dbraw/zinc/11/09/08/508110908.db2.gz PALWCRTVKJPHHX-OAQYLSRUSA-N 1 2 366.509 2.802 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075551003 508116031 /nfs/dbraw/zinc/11/60/31/508116031.db2.gz MHLLFEUQORPEOF-INIZCTEOSA-N 1 2 368.437 2.855 20 30 FFEDLO N#CCC[N@@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)CC1CC1 ZINC000081044050 508129379 /nfs/dbraw/zinc/12/93/79/508129379.db2.gz WAOZSMYCARZGND-GOSISDBHSA-N 1 2 354.479 2.974 20 30 FFEDLO N#CCC[N@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)CC1CC1 ZINC000081044050 508129382 /nfs/dbraw/zinc/12/93/82/508129382.db2.gz WAOZSMYCARZGND-GOSISDBHSA-N 1 2 354.479 2.974 20 30 FFEDLO N#CCCn1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000081759473 508209313 /nfs/dbraw/zinc/20/93/13/508209313.db2.gz MGVMHIDESUDLAQ-KRWDZBQOSA-N 1 2 355.417 2.929 20 30 FFEDLO N#CCCn1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000081759473 508209316 /nfs/dbraw/zinc/20/93/16/508209316.db2.gz MGVMHIDESUDLAQ-KRWDZBQOSA-N 1 2 355.417 2.929 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)NCc2ccc(C#N)cc2)CC1 ZINC000076552886 508223348 /nfs/dbraw/zinc/22/33/48/508223348.db2.gz AWWAGYCSXQQQDZ-UHFFFAOYSA-N 1 2 364.449 2.594 20 30 FFEDLO COc1ccc([C@H](CO)[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000112996456 508238551 /nfs/dbraw/zinc/23/85/51/508238551.db2.gz JULDSHLDMWMAMI-SFHVURJKSA-N 1 2 373.840 2.824 20 30 FFEDLO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000112996456 508238553 /nfs/dbraw/zinc/23/85/53/508238553.db2.gz JULDSHLDMWMAMI-SFHVURJKSA-N 1 2 373.840 2.824 20 30 FFEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(C#N)cc1 ZINC000076835930 508257050 /nfs/dbraw/zinc/25/70/50/508257050.db2.gz WKNGMGFHPYXGAX-GOSISDBHSA-N 1 2 363.461 2.921 20 30 FFEDLO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C)CC1 ZINC000077373324 508306879 /nfs/dbraw/zinc/30/68/79/508306879.db2.gz KGCOLAKYIDGHSL-UHFFFAOYSA-N 1 2 369.490 2.682 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000088524695 508374427 /nfs/dbraw/zinc/37/44/27/508374427.db2.gz KDUPMGKVPXEKCU-LEWJYISDSA-N 1 2 360.461 2.674 20 30 FFEDLO Cc1ccc(Cl)cc1N1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115531171 508406373 /nfs/dbraw/zinc/40/63/73/508406373.db2.gz CPNWPTUWNRICQQ-LJQANCHMSA-N 1 2 368.868 2.869 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000156421537 508419050 /nfs/dbraw/zinc/41/90/50/508419050.db2.gz WVKDTNIQWDUREC-UHFFFAOYSA-N 1 2 359.367 2.892 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000127546921 508466501 /nfs/dbraw/zinc/46/65/01/508466501.db2.gz IJYVTZRFIXAPOO-FQEVSTJZSA-N 1 2 354.406 2.725 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000127546921 508466505 /nfs/dbraw/zinc/46/65/05/508466505.db2.gz IJYVTZRFIXAPOO-FQEVSTJZSA-N 1 2 354.406 2.725 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000156841780 508485100 /nfs/dbraw/zinc/48/51/00/508485100.db2.gz CFERDGCRYDSJLH-OAHLLOKOSA-N 1 2 351.841 2.564 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000156841780 508485103 /nfs/dbraw/zinc/48/51/03/508485103.db2.gz CFERDGCRYDSJLH-OAHLLOKOSA-N 1 2 351.841 2.564 20 30 FFEDLO CCO[C@H]1C[C@H]([N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C12CCC2 ZINC000156858715 508487633 /nfs/dbraw/zinc/48/76/33/508487633.db2.gz MUPVRMFCWYEYQK-ROUUACIJSA-N 1 2 362.495 2.611 20 30 FFEDLO CCO[C@H]1C[C@H]([N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C12CCC2 ZINC000156858715 508487638 /nfs/dbraw/zinc/48/76/38/508487638.db2.gz MUPVRMFCWYEYQK-ROUUACIJSA-N 1 2 362.495 2.611 20 30 FFEDLO C=CCC[C@@H](O)C[N@@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC000122243420 508505045 /nfs/dbraw/zinc/50/50/45/508505045.db2.gz OTLCAAYAWPPODU-CABCVRRESA-N 1 2 356.260 2.922 20 30 FFEDLO C=CCC[C@@H](O)C[N@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC000122243420 508505046 /nfs/dbraw/zinc/50/50/46/508505046.db2.gz OTLCAAYAWPPODU-CABCVRRESA-N 1 2 356.260 2.922 20 30 FFEDLO C[C@H](C#N)N(C)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000410881964 512400142 /nfs/dbraw/zinc/40/01/42/512400142.db2.gz FZPYCIAZDOFVRF-DOMZBBRYSA-N 1 2 350.260 2.956 20 30 FFEDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000122495973 508544400 /nfs/dbraw/zinc/54/44/00/508544400.db2.gz GSXGYMDBVBFOGU-HNNXBMFYSA-N 1 2 373.453 2.592 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000122495973 508544401 /nfs/dbraw/zinc/54/44/01/508544401.db2.gz GSXGYMDBVBFOGU-HNNXBMFYSA-N 1 2 373.453 2.592 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc2c(c1)OCO2 ZINC000128197779 508561806 /nfs/dbraw/zinc/56/18/06/508561806.db2.gz SHWUMYHNLOKHIV-UHFFFAOYSA-N 1 2 372.446 2.583 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc2c(c1)OCO2 ZINC000128197779 508561809 /nfs/dbraw/zinc/56/18/09/508561809.db2.gz SHWUMYHNLOKHIV-UHFFFAOYSA-N 1 2 372.446 2.583 20 30 FFEDLO C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000117075078 508578319 /nfs/dbraw/zinc/57/83/19/508578319.db2.gz MWWCSMUTUDEPEI-AWEZNQCLSA-N 1 2 372.494 2.794 20 30 FFEDLO C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000117075078 508578324 /nfs/dbraw/zinc/57/83/24/508578324.db2.gz MWWCSMUTUDEPEI-AWEZNQCLSA-N 1 2 372.494 2.794 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2nc(C)c(C)s2)CC1 ZINC000157565021 508581844 /nfs/dbraw/zinc/58/18/44/508581844.db2.gz QTCSJVMGNVOREU-HNNXBMFYSA-N 1 2 350.532 2.695 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(c3ccc(O)cc3)CC2)c1 ZINC000128386576 508585833 /nfs/dbraw/zinc/58/58/33/508585833.db2.gz NUOLLGBGWZBKCQ-UHFFFAOYSA-N 1 2 370.474 2.917 20 30 FFEDLO C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000157634231 508590038 /nfs/dbraw/zinc/59/00/38/508590038.db2.gz VNNKGOVYVNRUMZ-LJQANCHMSA-N 1 2 370.474 2.756 20 30 FFEDLO C[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000157634231 508590040 /nfs/dbraw/zinc/59/00/40/508590040.db2.gz VNNKGOVYVNRUMZ-LJQANCHMSA-N 1 2 370.474 2.756 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)C1CC1 ZINC000117351014 508594597 /nfs/dbraw/zinc/59/45/97/508594597.db2.gz LTXNRPHKNIAGAY-LLVKDONJSA-N 1 2 357.298 2.612 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)C1CC1 ZINC000117351014 508594599 /nfs/dbraw/zinc/59/45/99/508594599.db2.gz LTXNRPHKNIAGAY-LLVKDONJSA-N 1 2 357.298 2.612 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000128479898 508598956 /nfs/dbraw/zinc/59/89/56/508598956.db2.gz DLEXIULEIASEEB-QAPCUYQASA-N 1 2 355.825 2.891 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000128479898 508598959 /nfs/dbraw/zinc/59/89/59/508598959.db2.gz DLEXIULEIASEEB-QAPCUYQASA-N 1 2 355.825 2.891 20 30 FFEDLO Cc1nn(-c2ccccc2)cc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000122910888 508605945 /nfs/dbraw/zinc/60/59/45/508605945.db2.gz JTAUITZIQZZPKB-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000123026839 508623950 /nfs/dbraw/zinc/62/39/50/508623950.db2.gz OEZMTBBVZPQCBG-UHFFFAOYSA-N 1 2 358.829 2.775 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000135637343 508634969 /nfs/dbraw/zinc/63/49/69/508634969.db2.gz QMHBTAAOGVEJST-SFHVURJKSA-N 1 2 371.481 2.512 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000135637343 508634973 /nfs/dbraw/zinc/63/49/73/508634973.db2.gz QMHBTAAOGVEJST-SFHVURJKSA-N 1 2 371.481 2.512 20 30 FFEDLO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1cc(C#N)ccc1OC ZINC000158007286 508643975 /nfs/dbraw/zinc/64/39/75/508643975.db2.gz VZYDQNYELHBGOI-UHFFFAOYSA-N 1 2 353.422 2.917 20 30 FFEDLO CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1cc(C#N)ccc1OC ZINC000158007286 508643977 /nfs/dbraw/zinc/64/39/77/508643977.db2.gz VZYDQNYELHBGOI-UHFFFAOYSA-N 1 2 353.422 2.917 20 30 FFEDLO CCCCCNC(=O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000153900846 508672820 /nfs/dbraw/zinc/67/28/20/508672820.db2.gz UYIJPMMCWVHUGP-UHFFFAOYSA-N 1 2 365.481 2.535 20 30 FFEDLO Cc1nc(SCC(=O)NCCCNc2cccc[nH+]2)c(C#N)c(C)c1C ZINC000136196441 508678121 /nfs/dbraw/zinc/67/81/21/508678121.db2.gz WUMNFBWHSIBSFX-UHFFFAOYSA-N 1 2 369.494 2.984 20 30 FFEDLO C=C(C)CNC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000119058141 508716554 /nfs/dbraw/zinc/71/65/54/508716554.db2.gz CPXHHCDAWYFRSN-INIZCTEOSA-N 1 2 371.403 2.954 20 30 FFEDLO C=C(C)COc1cc(C[NH+]2CCN(c3ncccn3)CC2)ccc1OC ZINC000158839404 508758187 /nfs/dbraw/zinc/75/81/87/508758187.db2.gz KUBYMHSSTAAXTN-UHFFFAOYSA-N 1 2 354.454 2.762 20 30 FFEDLO C=CCCCCC[N@@H+](C)CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000154352191 508766784 /nfs/dbraw/zinc/76/67/84/508766784.db2.gz GTVBIXVTWPUYLW-UHFFFAOYSA-N 1 2 356.463 2.846 20 30 FFEDLO C=CCCCCC[N@H+](C)CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000154352191 508766787 /nfs/dbraw/zinc/76/67/87/508766787.db2.gz GTVBIXVTWPUYLW-UHFFFAOYSA-N 1 2 356.463 2.846 20 30 FFEDLO C=CCOc1ccccc1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130850725 508855493 /nfs/dbraw/zinc/85/54/93/508855493.db2.gz FRUSIONCTXCNOK-UHFFFAOYSA-N 1 2 352.434 2.915 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000124673412 508867157 /nfs/dbraw/zinc/86/71/57/508867157.db2.gz SGMHAVYEZABRQB-AWEZNQCLSA-N 1 2 368.403 2.588 20 30 FFEDLO N#Cc1csc(C[NH+]2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1 ZINC000160354811 508975338 /nfs/dbraw/zinc/97/53/38/508975338.db2.gz DMVHFWNAORCFCC-UHFFFAOYSA-N 1 2 364.474 2.988 20 30 FFEDLO N#Cc1cc(F)c(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c(F)c1 ZINC000151309520 508996879 /nfs/dbraw/zinc/99/68/79/508996879.db2.gz BHNCPSGLMMOGAZ-UHFFFAOYSA-N 1 2 371.387 2.673 20 30 FFEDLO N#CCC[C@H](NC(=O)N1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000160625051 509011529 /nfs/dbraw/zinc/01/15/29/509011529.db2.gz PDXWZBBQLNKQPX-FQEVSTJZSA-N 1 2 363.465 2.954 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1coc(-c2ccccc2)n1 ZINC000155566745 509028535 /nfs/dbraw/zinc/02/85/35/509028535.db2.gz QLETYNOGBJAOJO-HNNXBMFYSA-N 1 2 360.421 2.714 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1coc(-c2ccccc2)n1 ZINC000155566745 509028536 /nfs/dbraw/zinc/02/85/36/509028536.db2.gz QLETYNOGBJAOJO-HNNXBMFYSA-N 1 2 360.421 2.714 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1cc(Br)cn1C ZINC000151652411 509060157 /nfs/dbraw/zinc/06/01/57/509060157.db2.gz FGLIFYGUEAGCLP-ZDUSSCGKSA-N 1 2 354.292 2.809 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1cc(Br)cn1C ZINC000151652411 509060160 /nfs/dbraw/zinc/06/01/60/509060160.db2.gz FGLIFYGUEAGCLP-ZDUSSCGKSA-N 1 2 354.292 2.809 20 30 FFEDLO CCO[C@H]1C[C@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C12CCC2 ZINC000120796846 509066936 /nfs/dbraw/zinc/06/69/36/509066936.db2.gz YDADUEPKVWQNMW-ROUUACIJSA-N 1 2 362.495 2.611 20 30 FFEDLO CCO[C@H]1C[C@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C12CCC2 ZINC000120796846 509066939 /nfs/dbraw/zinc/06/69/39/509066939.db2.gz YDADUEPKVWQNMW-ROUUACIJSA-N 1 2 362.495 2.611 20 30 FFEDLO CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1C#N ZINC000161179534 509081553 /nfs/dbraw/zinc/08/15/53/509081553.db2.gz HCADWKZZWYLQAT-GFCCVEGCSA-N 1 2 353.382 2.524 20 30 FFEDLO C=CCc1cc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc(OC)c1OC ZINC000151868267 509100487 /nfs/dbraw/zinc/10/04/87/509100487.db2.gz PEEUHTICJSEATD-MRXNPFEDSA-N 1 2 355.438 2.508 20 30 FFEDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C ZINC000161380826 509109320 /nfs/dbraw/zinc/10/93/20/509109320.db2.gz BLBHNIDOCINBGC-UHFFFAOYSA-N 1 2 369.490 2.682 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)CNc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133220467 509134094 /nfs/dbraw/zinc/13/40/94/509134094.db2.gz IZPKHBVLOPROPY-QUCCMNQESA-N 1 2 370.403 2.810 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)CNc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133220467 509134097 /nfs/dbraw/zinc/13/40/97/509134097.db2.gz IZPKHBVLOPROPY-QUCCMNQESA-N 1 2 370.403 2.810 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)c1ccc(F)cc1C#N ZINC000156192790 509142651 /nfs/dbraw/zinc/14/26/51/509142651.db2.gz QWRLWSJUVMRXFM-UHFFFAOYSA-N 1 2 372.425 2.724 20 30 FFEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCN(c4cccs4)CC3)C2=O)cc1 ZINC000121330863 509167237 /nfs/dbraw/zinc/16/72/37/509167237.db2.gz FCRHOPQIYGNUKA-QGZVFWFLSA-N 1 2 352.463 2.547 20 30 FFEDLO N#Cc1ccc(F)c(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000162175022 509175092 /nfs/dbraw/zinc/17/50/92/509175092.db2.gz NSXYNIDZFDVBPG-HNNXBMFYSA-N 1 2 362.202 2.776 20 30 FFEDLO C[C@@]([NH2+]Cc1cc(C#N)ccc1Br)(C(N)=O)c1ccccc1 ZINC000191810891 509194562 /nfs/dbraw/zinc/19/45/62/509194562.db2.gz NVTUSFOKONXTJR-KRWDZBQOSA-N 1 2 358.239 2.811 20 30 FFEDLO N#Cc1csc(C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000188665898 509201622 /nfs/dbraw/zinc/20/16/22/509201622.db2.gz VSOVUVGFSJUGPD-UHFFFAOYSA-N 1 2 359.402 2.812 20 30 FFEDLO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000266827607 509213719 /nfs/dbraw/zinc/21/37/19/509213719.db2.gz KFERJQUUXZHBLR-HXUWFJFHSA-N 1 2 367.424 2.870 20 30 FFEDLO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000266827607 509213726 /nfs/dbraw/zinc/21/37/26/509213726.db2.gz KFERJQUUXZHBLR-HXUWFJFHSA-N 1 2 367.424 2.870 20 30 FFEDLO CCc1ccccc1NC(=O)CN1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000191913177 509243992 /nfs/dbraw/zinc/24/39/92/509243992.db2.gz ZFGXUOSDYMKIFU-UHFFFAOYSA-N 1 2 361.489 2.857 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000172814446 509252817 /nfs/dbraw/zinc/25/28/17/509252817.db2.gz CPHLHLYFSRQUHP-KRWDZBQOSA-N 1 2 363.465 2.661 20 30 FFEDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000192103197 509348059 /nfs/dbraw/zinc/34/80/59/509348059.db2.gz NHBQJWKEWDUNBQ-LPHOPBHVSA-N 1 2 372.488 2.510 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](CCOCC(F)(F)C(F)F)CC2)c(F)c1 ZINC000189022417 509373549 /nfs/dbraw/zinc/37/35/49/509373549.db2.gz FHHSRBRBGTZJRM-UHFFFAOYSA-N 1 2 363.330 2.736 20 30 FFEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248594319 509381901 /nfs/dbraw/zinc/38/19/01/509381901.db2.gz SHEXTEHQBZZSKQ-COXVUDFISA-N 1 2 369.868 2.851 20 30 FFEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248594319 509381908 /nfs/dbraw/zinc/38/19/08/509381908.db2.gz SHEXTEHQBZZSKQ-COXVUDFISA-N 1 2 369.868 2.851 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000248628933 509399695 /nfs/dbraw/zinc/39/96/95/509399695.db2.gz QWLGQNBMHMQVTK-ICBMNTSNSA-N 1 2 367.540 2.718 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000248628933 509399700 /nfs/dbraw/zinc/39/97/00/509399700.db2.gz QWLGQNBMHMQVTK-ICBMNTSNSA-N 1 2 367.540 2.718 20 30 FFEDLO COc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1Cl ZINC000179363510 509401644 /nfs/dbraw/zinc/40/16/44/509401644.db2.gz ZBNWVTQDBDTOJF-CYBMUJFWSA-N 1 2 357.845 2.721 20 30 FFEDLO COc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1Cl ZINC000179363510 509401647 /nfs/dbraw/zinc/40/16/47/509401647.db2.gz ZBNWVTQDBDTOJF-CYBMUJFWSA-N 1 2 357.845 2.721 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000267304870 509438690 /nfs/dbraw/zinc/43/86/90/509438690.db2.gz CAKPHFXRIQCGDX-UHFFFAOYSA-N 1 2 368.437 2.709 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)c(F)c3F)CC2)cc1 ZINC000267493776 509515092 /nfs/dbraw/zinc/51/50/92/509515092.db2.gz WNSXVTWXDBHXQR-UHFFFAOYSA-N 1 2 359.351 2.934 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)c1 ZINC000264434665 509525981 /nfs/dbraw/zinc/52/59/81/509525981.db2.gz DHWGOPDMMZURGN-UHFFFAOYSA-N 1 2 351.435 2.992 20 30 FFEDLO COCC[NH+](CCOC)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000264477528 509552487 /nfs/dbraw/zinc/55/24/87/509552487.db2.gz PEJJSECCECOTPN-OAHLLOKOSA-N 1 2 365.499 2.614 20 30 FFEDLO COC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@H](C)O1 ZINC000189448015 509580559 /nfs/dbraw/zinc/58/05/59/509580559.db2.gz UAYSCCWAQHZLRM-NSHGMRRFSA-N 1 2 373.497 2.674 20 30 FFEDLO COC[C@@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@H](C)O1 ZINC000189448015 509580567 /nfs/dbraw/zinc/58/05/67/509580567.db2.gz UAYSCCWAQHZLRM-NSHGMRRFSA-N 1 2 373.497 2.674 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000249068241 509591050 /nfs/dbraw/zinc/59/10/50/509591050.db2.gz ZSURAJNOVWBRJP-IQGLISFBSA-N 1 2 365.539 2.778 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000249068241 509591055 /nfs/dbraw/zinc/59/10/55/509591055.db2.gz ZSURAJNOVWBRJP-IQGLISFBSA-N 1 2 365.539 2.778 20 30 FFEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)cc1 ZINC000264570950 509606968 /nfs/dbraw/zinc/60/69/68/509606968.db2.gz RNSLKFJEJORLNT-UHFFFAOYSA-N 1 2 367.424 2.615 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000189505757 509609262 /nfs/dbraw/zinc/60/92/62/509609262.db2.gz BSWLVJFPHPXXAU-UHFFFAOYSA-N 1 2 373.350 2.533 20 30 FFEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000180027640 509715111 /nfs/dbraw/zinc/71/51/11/509715111.db2.gz HVIMHAMKHZPRDN-GJZGRUSLSA-N 1 2 351.410 2.773 20 30 FFEDLO COCC[N@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000249838966 509772562 /nfs/dbraw/zinc/77/25/62/509772562.db2.gz URCDVUALROEPDQ-FUHIMQAGSA-N 1 2 357.498 2.948 20 30 FFEDLO COCC[N@@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000249838966 509772571 /nfs/dbraw/zinc/77/25/71/509772571.db2.gz URCDVUALROEPDQ-FUHIMQAGSA-N 1 2 357.498 2.948 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000268188693 509804040 /nfs/dbraw/zinc/80/40/40/509804040.db2.gz XHILXTCCHQTFFR-SFHVURJKSA-N 1 2 355.825 2.742 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000268188693 509804047 /nfs/dbraw/zinc/80/40/47/509804047.db2.gz XHILXTCCHQTFFR-SFHVURJKSA-N 1 2 355.825 2.742 20 30 FFEDLO N#Cc1cccc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2F)c1 ZINC000173908187 509848151 /nfs/dbraw/zinc/84/81/51/509848151.db2.gz ZXIPNAHSTDMIGL-HNNXBMFYSA-N 1 2 362.202 2.776 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)ccc1OC(F)F ZINC000193354554 509878763 /nfs/dbraw/zinc/87/87/63/509878763.db2.gz VBBQRALFWISOEO-UHFFFAOYSA-N 1 2 374.391 2.885 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1CC ZINC000177122283 509885013 /nfs/dbraw/zinc/88/50/13/509885013.db2.gz VRZGGYXSYHEDLL-SFHVURJKSA-N 1 2 353.470 2.955 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1CC ZINC000177122283 509885019 /nfs/dbraw/zinc/88/50/19/509885019.db2.gz VRZGGYXSYHEDLL-SFHVURJKSA-N 1 2 353.470 2.955 20 30 FFEDLO N#Cc1cccc(NC(=O)CN2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000255368704 509924677 /nfs/dbraw/zinc/92/46/77/509924677.db2.gz KZLLXVJBUMRPOO-UITAMQMPSA-N 1 2 360.461 2.828 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000255953570 509939109 /nfs/dbraw/zinc/93/91/09/509939109.db2.gz AKHOIGXBJUTYJG-ZFMNYDKASA-N 1 2 368.525 2.952 20 30 FFEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000171140911 509964557 /nfs/dbraw/zinc/96/45/57/509964557.db2.gz YIBGFOPEKOACIC-UHFFFAOYSA-N 1 2 366.469 2.859 20 30 FFEDLO COC(=O)c1oc([C@@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1C ZINC000180575698 509994041 /nfs/dbraw/zinc/99/40/41/509994041.db2.gz JWPPNRKOXBFIND-CQSZACIVSA-N 1 2 354.410 2.525 20 30 FFEDLO C#CCCCCNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000177367647 510016738 /nfs/dbraw/zinc/01/67/38/510016738.db2.gz ZHIHKMVXYZWCBZ-UHFFFAOYSA-N 1 2 364.449 2.745 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3csc(-c4ccccn4)n3)CC2)nc1 ZINC000193769753 510059485 /nfs/dbraw/zinc/05/94/85/510059485.db2.gz PJRKQRWTUCDFCM-UHFFFAOYSA-N 1 2 362.462 2.794 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000184023101 510091843 /nfs/dbraw/zinc/09/18/43/510091843.db2.gz DIJRMTFMQJXAFO-MRXNPFEDSA-N 1 2 369.387 2.841 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000184023101 510091845 /nfs/dbraw/zinc/09/18/45/510091845.db2.gz DIJRMTFMQJXAFO-MRXNPFEDSA-N 1 2 369.387 2.841 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000265533774 510104123 /nfs/dbraw/zinc/10/41/23/510104123.db2.gz VQFUWEODYJLMPG-KRWDZBQOSA-N 1 2 363.465 2.661 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)ccc1C#N ZINC000245731928 510113490 /nfs/dbraw/zinc/11/34/90/510113490.db2.gz YXUINLPHMMCGOA-AEFFLSMTSA-N 1 2 356.376 2.715 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)ccc1C#N ZINC000245731928 510113495 /nfs/dbraw/zinc/11/34/95/510113495.db2.gz YXUINLPHMMCGOA-AEFFLSMTSA-N 1 2 356.376 2.715 20 30 FFEDLO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](CCC#N)CC2CC2)c(OC)c1 ZINC000174695913 510256718 /nfs/dbraw/zinc/25/67/18/510256718.db2.gz RNHPUZTUFUAUJB-LJQANCHMSA-N 1 2 371.481 2.993 20 30 FFEDLO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](CCC#N)CC2CC2)c(OC)c1 ZINC000174695913 510256728 /nfs/dbraw/zinc/25/67/28/510256728.db2.gz RNHPUZTUFUAUJB-LJQANCHMSA-N 1 2 371.481 2.993 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1csc(-c2ccccc2F)n1 ZINC000174831732 510332586 /nfs/dbraw/zinc/33/25/86/510332586.db2.gz XPVLJEIZAFMBPP-UHFFFAOYSA-N 1 2 374.485 2.997 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OCc2ccncc2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000171747799 510343087 /nfs/dbraw/zinc/34/30/87/510343087.db2.gz IWQUXQDZJHWIRH-IBGZPJMESA-N 1 2 372.490 2.836 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OCc2ccncc2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000171747799 510343095 /nfs/dbraw/zinc/34/30/95/510343095.db2.gz IWQUXQDZJHWIRH-IBGZPJMESA-N 1 2 372.490 2.836 20 30 FFEDLO C=CC[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1ccc(Cl)s1 ZINC000181508521 510444388 /nfs/dbraw/zinc/44/43/88/510444388.db2.gz MJHQDWAUHXOLPC-UHFFFAOYSA-N 1 2 358.891 2.847 20 30 FFEDLO C=CC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1ccc(Cl)s1 ZINC000181508521 510444394 /nfs/dbraw/zinc/44/43/94/510444394.db2.gz MJHQDWAUHXOLPC-UHFFFAOYSA-N 1 2 358.891 2.847 20 30 FFEDLO Cc1c(NC(=O)[C@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C)cccc1[N+](=O)[O-] ZINC000266247110 510480574 /nfs/dbraw/zinc/48/05/74/510480574.db2.gz YZWICSJNYSVSOZ-OLZOCXBDSA-N 1 2 366.418 2.580 20 30 FFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000175123819 510492684 /nfs/dbraw/zinc/49/26/84/510492684.db2.gz PWPQUXWONWSODF-UHFFFAOYSA-N 1 2 367.453 2.595 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000246560872 510556881 /nfs/dbraw/zinc/55/68/81/510556881.db2.gz KMNOHCLTPSRMDZ-QAPCUYQASA-N 1 2 361.461 2.676 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000246560872 510556884 /nfs/dbraw/zinc/55/68/84/510556884.db2.gz KMNOHCLTPSRMDZ-QAPCUYQASA-N 1 2 361.461 2.676 20 30 FFEDLO COCC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccnc1 ZINC000191238897 510563676 /nfs/dbraw/zinc/56/36/76/510563676.db2.gz JMBADZVVIGPVSH-UHFFFAOYSA-N 1 2 358.829 2.694 20 30 FFEDLO COCC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccnc1 ZINC000191238897 510563684 /nfs/dbraw/zinc/56/36/84/510563684.db2.gz JMBADZVVIGPVSH-UHFFFAOYSA-N 1 2 358.829 2.694 20 30 FFEDLO CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1C#N ZINC000269842015 510567723 /nfs/dbraw/zinc/56/77/23/510567723.db2.gz OUZYVSSMGSHLAV-LBPRGKRZSA-N 1 2 356.386 2.533 20 30 FFEDLO COCC[NH+]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000181801044 510600751 /nfs/dbraw/zinc/60/07/51/510600751.db2.gz JDJANSUPOOAEGA-UHFFFAOYSA-N 1 2 365.433 2.755 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185102767 510687983 /nfs/dbraw/zinc/68/79/83/510687983.db2.gz UWLSVPVRFYPNMG-QWHCGFSZSA-N 1 2 359.405 2.534 20 30 FFEDLO Cn1cc(C#N)cc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246994763 510788202 /nfs/dbraw/zinc/78/82/02/510788202.db2.gz UBCWESMIWIUZTC-RDJZCZTQSA-N 1 2 360.820 2.864 20 30 FFEDLO Cn1cc(C#N)cc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246994763 510788205 /nfs/dbraw/zinc/78/82/05/510788205.db2.gz UBCWESMIWIUZTC-RDJZCZTQSA-N 1 2 360.820 2.864 20 30 FFEDLO COc1cc(C)nc(CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)c1 ZINC000270431028 510806460 /nfs/dbraw/zinc/80/64/60/510806460.db2.gz VYQCXGMDGLTKIR-UHFFFAOYSA-N 1 2 355.442 2.621 20 30 FFEDLO CC(C)(C)c1ccc2c(c1)C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC2 ZINC000182251254 510834116 /nfs/dbraw/zinc/83/41/16/510834116.db2.gz XFCJXLCCWAQHEJ-UHFFFAOYSA-N 1 2 352.482 2.998 20 30 FFEDLO CC(C)(C)c1ccc2c(c1)C[N@H+](CC(=O)N(CCC#N)CCC#N)CC2 ZINC000182251254 510834121 /nfs/dbraw/zinc/83/41/21/510834121.db2.gz XFCJXLCCWAQHEJ-UHFFFAOYSA-N 1 2 352.482 2.998 20 30 FFEDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1nc(Cc2ccccc2)no1 ZINC000185396378 510834273 /nfs/dbraw/zinc/83/42/73/510834273.db2.gz PAHBOKDZGPPHNZ-CQSZACIVSA-N 1 2 361.405 2.821 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CC1 ZINC000329978195 510892387 /nfs/dbraw/zinc/89/23/87/510892387.db2.gz HCPQZNRUTURHDV-QZWWFDLISA-N 1 2 365.497 2.805 20 30 FFEDLO CCN1CCN(C(=O)NCCc2c(C)cccc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329984782 510894073 /nfs/dbraw/zinc/89/40/73/510894073.db2.gz CPOXVKLXEOXQLW-GOSISDBHSA-N 1 2 355.486 2.862 20 30 FFEDLO CNC(=O)C1(C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2c(C)noc2C)CC1 ZINC000329983728 510894159 /nfs/dbraw/zinc/89/41/59/510894159.db2.gz PVOKUTHWBQHDKP-STQMWFEESA-N 1 2 352.410 2.527 20 30 FFEDLO CNC(=O)C1(C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2c(C)noc2C)CC1 ZINC000329983728 510894164 /nfs/dbraw/zinc/89/41/64/510894164.db2.gz PVOKUTHWBQHDKP-STQMWFEESA-N 1 2 352.410 2.527 20 30 FFEDLO O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330000645 510896922 /nfs/dbraw/zinc/89/69/22/510896922.db2.gz WUTLQCRQGSFRCU-QGZVFWFLSA-N 1 2 373.501 2.684 20 30 FFEDLO O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330000645 510896925 /nfs/dbraw/zinc/89/69/25/510896925.db2.gz WUTLQCRQGSFRCU-QGZVFWFLSA-N 1 2 373.501 2.684 20 30 FFEDLO COc1cc(NC(=O)C[N@H+](C)Cc2ccc(C#N)c(OC)c2)cc(OC)c1 ZINC000282275076 510910799 /nfs/dbraw/zinc/91/07/99/510910799.db2.gz KRJZKPMKVIAZQQ-UHFFFAOYSA-N 1 2 369.421 2.655 20 30 FFEDLO COc1cc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)c(OC)c2)cc(OC)c1 ZINC000282275076 510910801 /nfs/dbraw/zinc/91/08/01/510910801.db2.gz KRJZKPMKVIAZQQ-UHFFFAOYSA-N 1 2 369.421 2.655 20 30 FFEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C[C@]2(CCOC2)O1 ZINC000330085717 510914068 /nfs/dbraw/zinc/91/40/68/510914068.db2.gz DAMWKGWQKVNBCI-MDYRTPRTSA-N 1 2 360.454 2.737 20 30 FFEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C[C@]2(CCOC2)O1 ZINC000330085717 510914071 /nfs/dbraw/zinc/91/40/71/510914071.db2.gz DAMWKGWQKVNBCI-MDYRTPRTSA-N 1 2 360.454 2.737 20 30 FFEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)C[C@]2(CCOC2)O1 ZINC000330103698 510917195 /nfs/dbraw/zinc/91/71/95/510917195.db2.gz GNFTUYGAQOTKBR-MRRJBJDNSA-N 1 2 353.850 2.981 20 30 FFEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)C[C@]2(CCOC2)O1 ZINC000330103698 510917199 /nfs/dbraw/zinc/91/71/99/510917199.db2.gz GNFTUYGAQOTKBR-MRRJBJDNSA-N 1 2 353.850 2.981 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330125065 510920187 /nfs/dbraw/zinc/92/01/87/510920187.db2.gz LSLYFDVERRTDCE-OPYAIIAOSA-N 1 2 371.481 2.592 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330125065 510920190 /nfs/dbraw/zinc/92/01/90/510920190.db2.gz LSLYFDVERRTDCE-OPYAIIAOSA-N 1 2 371.481 2.592 20 30 FFEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)C[C@]2(CCOC2)O1 ZINC000330159926 510927714 /nfs/dbraw/zinc/92/77/14/510927714.db2.gz RKXWXLVIOLUZSI-MUKKUYKPSA-N 1 2 362.426 2.662 20 30 FFEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)C[C@]2(CCOC2)O1 ZINC000330159926 510927722 /nfs/dbraw/zinc/92/77/22/510927722.db2.gz RKXWXLVIOLUZSI-MUKKUYKPSA-N 1 2 362.426 2.662 20 30 FFEDLO Cc1nc(N2CCC(C(=O)Nc3cccc(F)c3)CC2)nc(N(C)C)[nH+]1 ZINC000330199544 510935358 /nfs/dbraw/zinc/93/53/58/510935358.db2.gz VOSVPZRYDAVEGC-UHFFFAOYSA-N 1 2 358.421 2.890 20 30 FFEDLO Cc1nc(N(C)C)nc(N2CCC(C(=O)Nc3cccc(F)c3)CC2)[nH+]1 ZINC000330199544 510935363 /nfs/dbraw/zinc/93/53/63/510935363.db2.gz VOSVPZRYDAVEGC-UHFFFAOYSA-N 1 2 358.421 2.890 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000330241134 510945138 /nfs/dbraw/zinc/94/51/38/510945138.db2.gz IVXAGWJFECXFJH-VXGBXAGGSA-N 1 2 360.849 2.794 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000330241134 510945144 /nfs/dbraw/zinc/94/51/44/510945144.db2.gz IVXAGWJFECXFJH-VXGBXAGGSA-N 1 2 360.849 2.794 20 30 FFEDLO CO[C@@H](C)c1noc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000285554710 510954197 /nfs/dbraw/zinc/95/41/97/510954197.db2.gz RYGSAYBUZIRDMV-LBPRGKRZSA-N 1 2 360.389 2.831 20 30 FFEDLO O=C1C[C@@H](c2ccccc2)N(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCN1 ZINC000330284557 510957364 /nfs/dbraw/zinc/95/73/64/510957364.db2.gz XQHYQCKACWXDBR-CVEARBPZSA-N 1 2 353.426 2.515 20 30 FFEDLO C=CCn1c(CC2CC2)nnc1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000282397452 510960796 /nfs/dbraw/zinc/96/07/96/510960796.db2.gz WIHASKOZBVILKR-CQSZACIVSA-N 1 2 358.515 2.756 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[S@@](=O)C[C@@H](C)C2)cc1OCCCC#N ZINC000277342347 510960732 /nfs/dbraw/zinc/96/07/32/510960732.db2.gz DGXWZQGBHIEOFF-IZHWHUGBSA-N 1 2 350.484 2.578 20 30 FFEDLO COc1ccc(C[N@H+]2CC[S@@](=O)C[C@@H](C)C2)cc1OCCCC#N ZINC000277342347 510960736 /nfs/dbraw/zinc/96/07/36/510960736.db2.gz DGXWZQGBHIEOFF-IZHWHUGBSA-N 1 2 350.484 2.578 20 30 FFEDLO CC[C@@H]1CO[C@H](C)CN1CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000330312241 510962473 /nfs/dbraw/zinc/96/24/73/510962473.db2.gz ODYBAYSCBXSDJO-UKRRQHHQSA-N 1 2 352.504 2.826 20 30 FFEDLO N#CC(CC[N@H+]1CCSC[C@@H]1C(N)=O)(c1ccccc1)c1ccccc1 ZINC000277589018 510967680 /nfs/dbraw/zinc/96/76/80/510967680.db2.gz DBKMVKNKOWMBPB-LJQANCHMSA-N 1 2 365.502 2.789 20 30 FFEDLO N#CC(CC[N@@H+]1CCSC[C@@H]1C(N)=O)(c1ccccc1)c1ccccc1 ZINC000277589018 510967684 /nfs/dbraw/zinc/96/76/84/510967684.db2.gz DBKMVKNKOWMBPB-LJQANCHMSA-N 1 2 365.502 2.789 20 30 FFEDLO CCN1CCN(C(=O)Nc2ccc(C)c(OC)c2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330340310 510969662 /nfs/dbraw/zinc/96/96/62/510969662.db2.gz XTNYDXWZKCNTPL-MRXNPFEDSA-N 1 2 357.458 2.959 20 30 FFEDLO CCOC(=O)c1n[nH]c(C2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)n1 ZINC000277861156 510974760 /nfs/dbraw/zinc/97/47/60/510974760.db2.gz UGBHQHBRKZROJC-UHFFFAOYSA-N 1 2 372.856 2.866 20 30 FFEDLO CO[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)C(C)C ZINC000330505359 510987572 /nfs/dbraw/zinc/98/75/72/510987572.db2.gz ANRIVPJIDMVBHC-BRWVUGGUSA-N 1 2 355.429 2.885 20 30 FFEDLO CO[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)C(C)C ZINC000330505359 510987577 /nfs/dbraw/zinc/98/75/77/510987577.db2.gz ANRIVPJIDMVBHC-BRWVUGGUSA-N 1 2 355.429 2.885 20 30 FFEDLO COc1cc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)ccc1C#N ZINC000282467834 510989497 /nfs/dbraw/zinc/98/94/97/510989497.db2.gz WAJHEHZWJJIQDQ-IRXDYDNUSA-N 1 2 358.463 2.953 20 30 FFEDLO COc1cc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)ccc1C#N ZINC000282467834 510989500 /nfs/dbraw/zinc/98/95/00/510989500.db2.gz WAJHEHZWJJIQDQ-IRXDYDNUSA-N 1 2 358.463 2.953 20 30 FFEDLO COc1cc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)ccc1C#N ZINC000282467831 510989754 /nfs/dbraw/zinc/98/97/54/510989754.db2.gz WAJHEHZWJJIQDQ-IAGOWNOFSA-N 1 2 358.463 2.953 20 30 FFEDLO COc1cc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)ccc1C#N ZINC000282467831 510989761 /nfs/dbraw/zinc/98/97/61/510989761.db2.gz WAJHEHZWJJIQDQ-IAGOWNOFSA-N 1 2 358.463 2.953 20 30 FFEDLO NC(=[NH+]OCCO[C@@H]1CCCCO1)c1cccc(OCc2cccnc2)c1 ZINC000278485084 510993565 /nfs/dbraw/zinc/99/35/65/510993565.db2.gz GFCDHHMLFKYBOL-LJQANCHMSA-N 1 2 371.437 2.841 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)cc1OC ZINC000278738748 511006635 /nfs/dbraw/zinc/00/66/35/511006635.db2.gz RDJDMMYNZVMPFC-INIZCTEOSA-N 1 2 353.484 2.659 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)cc1OC ZINC000278738748 511006639 /nfs/dbraw/zinc/00/66/39/511006639.db2.gz RDJDMMYNZVMPFC-INIZCTEOSA-N 1 2 353.484 2.659 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000279241647 511023575 /nfs/dbraw/zinc/02/35/75/511023575.db2.gz SOXNZLKANTYXTO-XLMAVXFVSA-N 1 2 364.511 2.607 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000279241647 511023579 /nfs/dbraw/zinc/02/35/79/511023579.db2.gz SOXNZLKANTYXTO-XLMAVXFVSA-N 1 2 364.511 2.607 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000331108084 511042224 /nfs/dbraw/zinc/04/22/24/511042224.db2.gz AOUNWBIOLWUYTM-CLCXKQKWSA-N 1 2 362.449 2.507 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000331108084 511042228 /nfs/dbraw/zinc/04/22/28/511042228.db2.gz AOUNWBIOLWUYTM-CLCXKQKWSA-N 1 2 362.449 2.507 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(F)c(Br)c1 ZINC000331251658 511054971 /nfs/dbraw/zinc/05/49/71/511054971.db2.gz POLIHQXBBSJDGF-JTQLQIEISA-N 1 2 360.227 2.635 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000364751798 511062155 /nfs/dbraw/zinc/06/21/55/511062155.db2.gz VAPGSQYRYKJTQI-OAHLLOKOSA-N 1 2 367.428 2.632 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000364751798 511062159 /nfs/dbraw/zinc/06/21/59/511062159.db2.gz VAPGSQYRYKJTQI-OAHLLOKOSA-N 1 2 367.428 2.632 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1cccc(Br)c1 ZINC000331721985 511071994 /nfs/dbraw/zinc/07/19/94/511071994.db2.gz JTEBSEYXBLAWIV-JSGCOSHPSA-N 1 2 359.227 2.973 20 30 FFEDLO N#C[C@H](NC(=O)[C@H]1CCCc2[nH]c[nH+]c21)c1cccc(Br)c1 ZINC000331721985 511072000 /nfs/dbraw/zinc/07/20/00/511072000.db2.gz JTEBSEYXBLAWIV-JSGCOSHPSA-N 1 2 359.227 2.973 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279419750 511076430 /nfs/dbraw/zinc/07/64/30/511076430.db2.gz WTLPUDJFCYZERV-GQIGUUNPSA-N 1 2 371.481 2.830 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279419750 511076432 /nfs/dbraw/zinc/07/64/32/511076432.db2.gz WTLPUDJFCYZERV-GQIGUUNPSA-N 1 2 371.481 2.830 20 30 FFEDLO C[C@H]1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@H]1n1cc[nH+]c1 ZINC000282708228 511081303 /nfs/dbraw/zinc/08/13/03/511081303.db2.gz KZBUKJUSUBVCJM-HNAYVOBHSA-N 1 2 360.421 2.664 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)n1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000364791644 511084677 /nfs/dbraw/zinc/08/46/77/511084677.db2.gz QZGQCFNXNTXARE-OXQOHEQNSA-N 1 2 374.448 2.728 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)n1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000364791644 511084683 /nfs/dbraw/zinc/08/46/83/511084683.db2.gz QZGQCFNXNTXARE-OXQOHEQNSA-N 1 2 374.448 2.728 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3nc4ccccc4nc3C)CC2)c1C#N ZINC000289584579 511105189 /nfs/dbraw/zinc/10/51/89/511105189.db2.gz WTVPOEQAZMVOLT-UHFFFAOYSA-N 1 2 364.478 2.897 20 30 FFEDLO C=CC[C@H]1N(C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCC1(C)C ZINC000297941902 511118150 /nfs/dbraw/zinc/11/81/50/511118150.db2.gz ZYAVQXRUZAECMG-HZPDHXFCSA-N 1 2 358.486 2.709 20 30 FFEDLO CCOC1CC(CNc2ncc(Cl)c(C)c2C#N)([NH+]2CCOCC2)C1 ZINC000364970208 511183180 /nfs/dbraw/zinc/18/31/80/511183180.db2.gz GMHNWHKQJQURGS-UHFFFAOYSA-N 1 2 364.877 2.597 20 30 FFEDLO CCn1ccnc1CNc1nc(NCc2[nH+]ccn2CC)ccc1C#N ZINC000294922186 511222953 /nfs/dbraw/zinc/22/29/53/511222953.db2.gz GQHSGVGMXJBKSW-UHFFFAOYSA-N 1 2 350.430 2.610 20 30 FFEDLO CCn1ccnc1CNc1ccc(C#N)c(NCc2[nH+]ccn2CC)n1 ZINC000294922186 511222956 /nfs/dbraw/zinc/22/29/56/511222956.db2.gz GQHSGVGMXJBKSW-UHFFFAOYSA-N 1 2 350.430 2.610 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000362995073 511287986 /nfs/dbraw/zinc/28/79/86/511287986.db2.gz VCUVEOKTHLSUBJ-UHFFFAOYSA-N 1 2 361.445 2.769 20 30 FFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000333701624 511327854 /nfs/dbraw/zinc/32/78/54/511327854.db2.gz ODSPKYRYGNQGJO-BZGJJBKYSA-N 1 2 367.559 2.539 20 30 FFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000333701624 511327858 /nfs/dbraw/zinc/32/78/58/511327858.db2.gz ODSPKYRYGNQGJO-BZGJJBKYSA-N 1 2 367.559 2.539 20 30 FFEDLO C[C@H]1C(=O)CC[C@@H]1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000280099826 511336059 /nfs/dbraw/zinc/33/60/59/511336059.db2.gz ZXPORPNPJPBMQC-VQIMIIECSA-N 1 2 353.466 2.598 20 30 FFEDLO C[C@H]1C(=O)CC[C@@H]1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000280099826 511336063 /nfs/dbraw/zinc/33/60/63/511336063.db2.gz ZXPORPNPJPBMQC-VQIMIIECSA-N 1 2 353.466 2.598 20 30 FFEDLO N#Cc1cccc(CNc2ccc(N3CCN(C(=O)C4CC4)CC3)[nH+]c2)c1 ZINC000271906933 511366735 /nfs/dbraw/zinc/36/67/35/511366735.db2.gz CIZUGOCIHCIBQO-UHFFFAOYSA-N 1 2 361.449 2.624 20 30 FFEDLO CC1(C#N)CN(C(=O)C2CCN(c3ccc4cccc(O)c4[nH+]3)CC2)C1 ZINC000280527712 511499755 /nfs/dbraw/zinc/49/97/55/511499755.db2.gz RRCGPVRPROVPNJ-UHFFFAOYSA-N 1 2 350.422 2.529 20 30 FFEDLO CC[C@@H]1CC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000292533643 511633657 /nfs/dbraw/zinc/63/36/57/511633657.db2.gz XGKOYVZFKKSPIZ-HZPDHXFCSA-N 1 2 370.497 2.840 20 30 FFEDLO CC[C@@H]1CC[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000292533643 511633662 /nfs/dbraw/zinc/63/36/62/511633662.db2.gz XGKOYVZFKKSPIZ-HZPDHXFCSA-N 1 2 370.497 2.840 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000280870315 511635459 /nfs/dbraw/zinc/63/54/59/511635459.db2.gz CJCOBXPHJNVQFO-GXTWGEPZSA-N 1 2 360.380 2.568 20 30 FFEDLO CC#CCCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1[nH+]ccn1C ZINC000284372233 511701088 /nfs/dbraw/zinc/70/10/88/511701088.db2.gz FMRLHLUJKFCHIL-INIZCTEOSA-N 1 2 374.485 2.734 20 30 FFEDLO C=CCC[C@H](Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1)c1ccccc1 ZINC000302393732 511708491 /nfs/dbraw/zinc/70/84/91/511708491.db2.gz GDKKTBSWMKYMJE-KRWDZBQOSA-N 1 2 351.454 2.874 20 30 FFEDLO C=CCC[C@H](Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)c1ccccc1 ZINC000302393732 511708492 /nfs/dbraw/zinc/70/84/92/511708492.db2.gz GDKKTBSWMKYMJE-KRWDZBQOSA-N 1 2 351.454 2.874 20 30 FFEDLO COc1ncc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000284413451 511714228 /nfs/dbraw/zinc/71/42/28/511714228.db2.gz XNIRGTOAPABEGZ-UHFFFAOYSA-N 1 2 370.840 2.573 20 30 FFEDLO C=CCCC1(c2nc(-c3ccc(C(=O)N4CC[NH+](C)CC4)nc3)no2)CC1 ZINC000350145173 511729958 /nfs/dbraw/zinc/72/99/58/511729958.db2.gz UVUDSECNIUKUET-UHFFFAOYSA-N 1 2 367.453 2.517 20 30 FFEDLO C=CCCCCNC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000284659500 511812369 /nfs/dbraw/zinc/81/23/69/511812369.db2.gz KOVDMIVEOPBQEE-INIZCTEOSA-N 1 2 374.872 2.752 20 30 FFEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NCc2ccco2)on1 ZINC000328636083 511903019 /nfs/dbraw/zinc/90/30/19/511903019.db2.gz NWFKTFUPQSCWHD-KBPBESRZSA-N 1 2 350.394 2.534 20 30 FFEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NCc2ccco2)on1 ZINC000328636083 511903024 /nfs/dbraw/zinc/90/30/24/511903024.db2.gz NWFKTFUPQSCWHD-KBPBESRZSA-N 1 2 350.394 2.534 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC1CCC(c3nc(C)no3)CC1)CCC2 ZINC000328651138 511908261 /nfs/dbraw/zinc/90/82/61/511908261.db2.gz JPJKKRIZBCCNFA-PCKAHOCUSA-N 1 2 372.473 2.990 20 30 FFEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000328698163 511916409 /nfs/dbraw/zinc/91/64/09/511916409.db2.gz UXJLHXBLLCHPCJ-NUEKZKHPSA-N 1 2 360.845 2.949 20 30 FFEDLO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nnc4n3CCCC4)C2)n1 ZINC000328719687 511921001 /nfs/dbraw/zinc/92/10/01/511921001.db2.gz QIWVCNIDYBWPND-OAHLLOKOSA-N 1 2 354.458 2.818 20 30 FFEDLO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nnc4n3CCCC4)C2)n1 ZINC000328719687 511921008 /nfs/dbraw/zinc/92/10/08/511921008.db2.gz QIWVCNIDYBWPND-OAHLLOKOSA-N 1 2 354.458 2.818 20 30 FFEDLO Cn1c2ccc(CNC(=O)C[C@H]3CCS(=O)(=O)C3)cc2[nH+]c1C1CC1 ZINC000328799200 511932354 /nfs/dbraw/zinc/93/23/54/511932354.db2.gz XKOSDVNXKLPBNS-CYBMUJFWSA-N 1 2 361.467 2.732 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CCc3n[nH]nc3C2)C[C@H](C)O1 ZINC000328792634 511932395 /nfs/dbraw/zinc/93/23/95/511932395.db2.gz RMASLSRMVQYTEV-QLFBSQMISA-N 1 2 369.469 2.807 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2CCc3n[nH]nc3C2)C[C@H](C)O1 ZINC000328792634 511932399 /nfs/dbraw/zinc/93/23/99/511932399.db2.gz RMASLSRMVQYTEV-QLFBSQMISA-N 1 2 369.469 2.807 20 30 FFEDLO Cc1cn2cc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2[nH+]1 ZINC000328819451 511935884 /nfs/dbraw/zinc/93/58/84/511935884.db2.gz HIECBABPCONZBM-HUUCEWRRSA-N 1 2 354.410 2.796 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1CSCN1C(=O)C1CCC1)CCC2 ZINC000328820309 511936578 /nfs/dbraw/zinc/93/65/78/511936578.db2.gz OPNKYMXGJPSYPT-GJZGRUSLSA-N 1 2 362.499 2.727 20 30 FFEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NCC2CCCC2)on1 ZINC000328829197 511937673 /nfs/dbraw/zinc/93/76/73/511937673.db2.gz JETYXFZQLSNCRE-HOTGVXAUSA-N 1 2 352.454 2.931 20 30 FFEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NCC2CCCC2)on1 ZINC000328829197 511937680 /nfs/dbraw/zinc/93/76/80/511937680.db2.gz JETYXFZQLSNCRE-HOTGVXAUSA-N 1 2 352.454 2.931 20 30 FFEDLO COc1ccccc1N1CC[C@H](CNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000329084954 511979529 /nfs/dbraw/zinc/97/95/29/511979529.db2.gz GAYLLAGVGFLIAM-QGZVFWFLSA-N 1 2 373.497 2.733 20 30 FFEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H](C)C3(CCC3)C2)nc[nH+]1 ZINC000329145279 511992629 /nfs/dbraw/zinc/99/26/29/511992629.db2.gz NPEBPWKLQXNDNS-HZPDHXFCSA-N 1 2 372.517 2.913 20 30 FFEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H](C)C3(CCC3)C2)[nH+]cn1 ZINC000329145279 511992633 /nfs/dbraw/zinc/99/26/33/511992633.db2.gz NPEBPWKLQXNDNS-HZPDHXFCSA-N 1 2 372.517 2.913 20 30 FFEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)sc1C ZINC000329169773 511997504 /nfs/dbraw/zinc/99/75/04/511997504.db2.gz JSTOEPIWTVAOPM-ZLDLUXBVSA-N 1 2 352.504 2.531 20 30 FFEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)sc1C ZINC000329169773 511997509 /nfs/dbraw/zinc/99/75/09/511997509.db2.gz JSTOEPIWTVAOPM-ZLDLUXBVSA-N 1 2 352.504 2.531 20 30 FFEDLO Cc1nc(NC(=O)[C@H](C)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)sc1C ZINC000329169773 511997513 /nfs/dbraw/zinc/99/75/13/511997513.db2.gz JSTOEPIWTVAOPM-ZLDLUXBVSA-N 1 2 352.504 2.531 20 30 FFEDLO Cc1cnc(NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2c(C)noc2C)s1 ZINC000329206845 512005574 /nfs/dbraw/zinc/00/55/74/512005574.db2.gz YJOACWSUEOSSNJ-STQMWFEESA-N 1 2 367.450 2.995 20 30 FFEDLO Cc1cnc(NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2c(C)noc2C)s1 ZINC000329206845 512005577 /nfs/dbraw/zinc/00/55/77/512005577.db2.gz YJOACWSUEOSSNJ-STQMWFEESA-N 1 2 367.450 2.995 20 30 FFEDLO CC(=O)N1CC[NH+](CCNC(=O)c2ccccc2NC2CCCCC2)CC1 ZINC000329214363 512006192 /nfs/dbraw/zinc/00/61/92/512006192.db2.gz LANDRPIXYKLEJS-UHFFFAOYSA-N 1 2 372.513 2.900 20 30 FFEDLO C[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)[C@@H]1C ZINC000329239516 512011855 /nfs/dbraw/zinc/01/18/55/512011855.db2.gz QJVFQVHRCGHPMY-NPNMTCQASA-N 1 2 373.501 2.649 20 30 FFEDLO CC(C)[C@H]1CN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)CCO1 ZINC000329247087 512012961 /nfs/dbraw/zinc/01/29/61/512012961.db2.gz ROCVHAORCSWYBG-OAHLLOKOSA-N 1 2 352.504 2.684 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCCOc2ccccc21 ZINC000329310858 512025131 /nfs/dbraw/zinc/02/51/31/512025131.db2.gz ZNZCGTBGVCWMPF-RYRKJORJSA-N 1 2 359.470 2.609 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)CNC(=O)c1cccs1)C2 ZINC000329314831 512025162 /nfs/dbraw/zinc/02/51/62/512025162.db2.gz CNVCDYYUGGAWER-GFCCVEGCSA-N 1 2 360.483 2.943 20 30 FFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000329431362 512046315 /nfs/dbraw/zinc/04/63/15/512046315.db2.gz ILPFMNAFLREAAH-IAGOWNOFSA-N 1 2 356.426 2.512 20 30 FFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)Nc2sccc2C#N)CC1 ZINC000293714597 512060281 /nfs/dbraw/zinc/06/02/81/512060281.db2.gz MDDSCDYHNAATKG-GFCCVEGCSA-N 1 2 374.491 2.525 20 30 FFEDLO CCc1nnc(C)cc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000329510267 512061017 /nfs/dbraw/zinc/06/10/17/512061017.db2.gz JYSBHBJXXRQDBJ-GJZGRUSLSA-N 1 2 369.469 2.861 20 30 FFEDLO C[C@@H]1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CCS1 ZINC000329515332 512062340 /nfs/dbraw/zinc/06/23/40/512062340.db2.gz YNEIFHJQCPTCOI-UKRRQHHQSA-N 1 2 352.504 2.629 20 30 FFEDLO COC(=O)[C@H](c1cccc(Br)c1)[N@H+](C)CCOCCC#N ZINC000293732397 512066670 /nfs/dbraw/zinc/06/66/70/512066670.db2.gz GUUJFQRUDSUTJV-AWEZNQCLSA-N 1 2 355.232 2.525 20 30 FFEDLO COC(=O)[C@H](c1cccc(Br)c1)[N@@H+](C)CCOCCC#N ZINC000293732397 512066675 /nfs/dbraw/zinc/06/66/75/512066675.db2.gz GUUJFQRUDSUTJV-AWEZNQCLSA-N 1 2 355.232 2.525 20 30 FFEDLO Cc1nc(-c2ccccc2)sc1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329546206 512067381 /nfs/dbraw/zinc/06/73/81/512067381.db2.gz IBLVXGOBNZEVFJ-GJZGRUSLSA-N 1 2 358.467 2.679 20 30 FFEDLO Cc1nc(-c2ccccc2)sc1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329546206 512067384 /nfs/dbraw/zinc/06/73/84/512067384.db2.gz IBLVXGOBNZEVFJ-GJZGRUSLSA-N 1 2 358.467 2.679 20 30 FFEDLO CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000329625973 512078777 /nfs/dbraw/zinc/07/87/77/512078777.db2.gz SZYFCVLGRKYIQZ-ODCFSMADSA-N 1 2 358.486 2.851 20 30 FFEDLO CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000329625973 512078780 /nfs/dbraw/zinc/07/87/80/512078780.db2.gz SZYFCVLGRKYIQZ-ODCFSMADSA-N 1 2 358.486 2.851 20 30 FFEDLO C[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@H](CO)O1 ZINC000329822930 512101877 /nfs/dbraw/zinc/10/18/77/512101877.db2.gz QDXVVOIFYVRNIR-KBXCAEBGSA-N 1 2 370.453 2.514 20 30 FFEDLO CC1(C)C(=O)NC(=O)N1CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000329852841 512104419 /nfs/dbraw/zinc/10/44/19/512104419.db2.gz VBRNQECOTLXBCB-UHFFFAOYSA-N 1 2 359.430 2.699 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000375806045 512516526 /nfs/dbraw/zinc/51/65/26/512516526.db2.gz OOAGRJYBDKHMEE-UHFFFAOYSA-N 1 2 358.442 2.910 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000375806045 512516532 /nfs/dbraw/zinc/51/65/32/512516532.db2.gz OOAGRJYBDKHMEE-UHFFFAOYSA-N 1 2 358.442 2.910 20 30 FFEDLO C#CCOc1ccc(F)cc1NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000369781086 512607125 /nfs/dbraw/zinc/60/71/25/512607125.db2.gz ZRZWGMOZGCHOBC-UHFFFAOYSA-N 1 2 365.368 2.740 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000373985168 512607326 /nfs/dbraw/zinc/60/73/26/512607326.db2.gz VUCWGHKDCQHPNG-UIVXKWKOSA-N 1 2 357.454 2.544 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000373985168 512607333 /nfs/dbraw/zinc/60/73/33/512607333.db2.gz VUCWGHKDCQHPNG-UIVXKWKOSA-N 1 2 357.454 2.544 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000374052317 512640677 /nfs/dbraw/zinc/64/06/77/512640677.db2.gz VDYLJBPXKQSETA-LJQANCHMSA-N 1 2 371.872 2.913 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000374052317 512640683 /nfs/dbraw/zinc/64/06/83/512640683.db2.gz VDYLJBPXKQSETA-LJQANCHMSA-N 1 2 371.872 2.913 20 30 FFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000378226676 512648413 /nfs/dbraw/zinc/64/84/13/512648413.db2.gz BACZXGULQPNPNO-NSHDSACASA-N 1 2 350.831 2.503 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c(C(F)(F)F)c1 ZINC000371962160 512654935 /nfs/dbraw/zinc/65/49/35/512654935.db2.gz VBLJVYAGHJGMIO-LBPRGKRZSA-N 1 2 370.356 2.826 20 30 FFEDLO C[C@@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1nc(C(C)(C)C)no1 ZINC000411528521 512675730 /nfs/dbraw/zinc/67/57/30/512675730.db2.gz FVPSRZJQSQZUNY-DOMZBBRYSA-N 1 2 353.426 2.695 20 30 FFEDLO CC(C)(CC#N)CNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000411631795 512728335 /nfs/dbraw/zinc/72/83/35/512728335.db2.gz JZSOMSRFDYEDQH-UHFFFAOYSA-N 1 2 352.394 2.868 20 30 FFEDLO C#CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000376342851 512776756 /nfs/dbraw/zinc/77/67/56/512776756.db2.gz CMTBBHDYKFUUPR-WBVHZDCISA-N 1 2 374.428 2.572 20 30 FFEDLO C#CCCCS(=O)(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000376342851 512776758 /nfs/dbraw/zinc/77/67/58/512776758.db2.gz CMTBBHDYKFUUPR-WBVHZDCISA-N 1 2 374.428 2.572 20 30 FFEDLO CC(C)c1nc(N2CCC(C#N)(c3ccccn3)CC2)nc(N(C)C)[nH+]1 ZINC000374491851 512858160 /nfs/dbraw/zinc/85/81/60/512858160.db2.gz IJDHYVUYJJNJQN-UHFFFAOYSA-N 1 2 351.458 2.518 20 30 FFEDLO CC(C)c1nc(N(C)C)nc(N2CCC(C#N)(c3ccccn3)CC2)[nH+]1 ZINC000374491851 512858164 /nfs/dbraw/zinc/85/81/64/512858164.db2.gz IJDHYVUYJJNJQN-UHFFFAOYSA-N 1 2 351.458 2.518 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)CCC2 ZINC000370437938 512934099 /nfs/dbraw/zinc/93/40/99/512934099.db2.gz DHSPQOOOBJDWMP-ZDUSSCGKSA-N 1 2 364.858 2.573 20 30 FFEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)nc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374661997 512943284 /nfs/dbraw/zinc/94/32/84/512943284.db2.gz JTYHZUUEZQWJFZ-AEFFLSMTSA-N 1 2 374.366 2.936 20 30 FFEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)nc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374661997 512943289 /nfs/dbraw/zinc/94/32/89/512943289.db2.gz JTYHZUUEZQWJFZ-AEFFLSMTSA-N 1 2 374.366 2.936 20 30 FFEDLO Cc1cn2c([nH+]1)CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)CC2 ZINC000374691395 512957680 /nfs/dbraw/zinc/95/76/80/512957680.db2.gz DGWPGSPMVWPXQU-UHFFFAOYSA-N 1 2 357.845 2.607 20 30 FFEDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000376913030 513045411 /nfs/dbraw/zinc/04/54/11/513045411.db2.gz YMMPUCGWRGVBJF-UHFFFAOYSA-N 1 2 364.858 2.565 20 30 FFEDLO CC(=O)[C@@H]1C[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000368796089 513105940 /nfs/dbraw/zinc/10/59/40/513105940.db2.gz IDPVMCGTGJRRLR-RBUKOAKNSA-N 1 2 367.493 2.912 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1 ZINC000446071194 513177670 /nfs/dbraw/zinc/17/76/70/513177670.db2.gz IMTMZHJZYNDHRP-ULQDDVLXSA-N 1 2 359.470 2.830 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1 ZINC000446071194 513177674 /nfs/dbraw/zinc/17/76/74/513177674.db2.gz IMTMZHJZYNDHRP-ULQDDVLXSA-N 1 2 359.470 2.830 20 30 FFEDLO C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)[C@@H](c2ccccc2)C1 ZINC000440054558 513236837 /nfs/dbraw/zinc/23/68/37/513236837.db2.gz PNMWMAYUZPEQFL-LJQANCHMSA-N 1 2 373.453 2.516 20 30 FFEDLO C[N@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)[C@@H](c2ccccc2)C1 ZINC000440054558 513236843 /nfs/dbraw/zinc/23/68/43/513236843.db2.gz PNMWMAYUZPEQFL-LJQANCHMSA-N 1 2 373.453 2.516 20 30 FFEDLO N#C[C@H]1C[N@@H+](CCCC(=O)c2ccccc2)C[C@]12C(=O)Nc1ccccc12 ZINC000450617343 513274840 /nfs/dbraw/zinc/27/48/40/513274840.db2.gz SNXHXVNUKXJTMF-JTSKRJEESA-N 1 2 359.429 2.995 20 30 FFEDLO N#C[C@H]1C[N@H+](CCCC(=O)c2ccccc2)C[C@]12C(=O)Nc1ccccc12 ZINC000450617343 513274845 /nfs/dbraw/zinc/27/48/45/513274845.db2.gz SNXHXVNUKXJTMF-JTSKRJEESA-N 1 2 359.429 2.995 20 30 FFEDLO COc1cc(C#N)ccc1OCC[NH+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000429359069 513350373 /nfs/dbraw/zinc/35/03/73/513350373.db2.gz APQNAYXYDBSOPP-HZPDHXFCSA-N 1 2 373.497 2.913 20 30 FFEDLO COc1cc(C[NH2+]Cc2ncn(Cc3cccc(F)c3)n2)ccc1C#N ZINC000440613423 513362915 /nfs/dbraw/zinc/36/29/15/513362915.db2.gz OABLHLDAPKJGPY-UHFFFAOYSA-N 1 2 351.385 2.636 20 30 FFEDLO CC#CCCNC(=O)C(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000440713881 513390732 /nfs/dbraw/zinc/39/07/32/513390732.db2.gz HTEAJBCWVQGTJJ-UHFFFAOYSA-N 1 2 360.417 2.778 20 30 FFEDLO C=CCSc1ccccc1NC(=O)CN(C)[C@H](C)C[NH+]1CCOCC1 ZINC000434700597 513398949 /nfs/dbraw/zinc/39/89/49/513398949.db2.gz ALSDIBZHQXQHSS-MRXNPFEDSA-N 1 2 363.527 2.556 20 30 FFEDLO COc1ccc(F)cc1C[NH+]1CCN(c2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000425205259 513451253 /nfs/dbraw/zinc/45/12/53/513451253.db2.gz VLASRQXJCQPJNN-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO Cc1cc(NC[C@H](O)COc2cccc(Cl)c2Cl)c(C#N)c[nH+]1 ZINC000425213360 513455593 /nfs/dbraw/zinc/45/55/93/513455593.db2.gz GVYMDKIJURMZIV-LBPRGKRZSA-N 1 2 352.221 2.842 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3cc(C)ncc3C#N)CC2)cc(OC)c1 ZINC000425222864 513459424 /nfs/dbraw/zinc/45/94/24/513459424.db2.gz BIGCWYKPCNEPRU-UHFFFAOYSA-N 1 2 352.438 2.601 20 30 FFEDLO Cc1cc(NC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)c(C#N)c[nH+]1 ZINC000425231731 513463563 /nfs/dbraw/zinc/46/35/63/513463563.db2.gz DWNMTSXFQZIBRD-CQSZACIVSA-N 1 2 365.355 2.845 20 30 FFEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)c1ccccc1Cl ZINC000435443771 513591783 /nfs/dbraw/zinc/59/17/83/513591783.db2.gz PYZOBHAIQZLWDZ-AWEZNQCLSA-N 1 2 369.899 2.854 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416312086 513704848 /nfs/dbraw/zinc/70/48/48/513704848.db2.gz PZOQRGHVTHVJFD-STQMWFEESA-N 1 2 357.479 2.609 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416312086 513704856 /nfs/dbraw/zinc/70/48/56/513704856.db2.gz PZOQRGHVTHVJFD-STQMWFEESA-N 1 2 357.479 2.609 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(C#N)[nH]c2C)[C@H](C)C1 ZINC000451458045 513763053 /nfs/dbraw/zinc/76/30/53/513763053.db2.gz MQDFMTXJHJBMKA-OAHLLOKOSA-N 1 2 366.465 2.940 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(C#N)[nH]c2C)[C@H](C)C1 ZINC000451458045 513763056 /nfs/dbraw/zinc/76/30/56/513763056.db2.gz MQDFMTXJHJBMKA-OAHLLOKOSA-N 1 2 366.465 2.940 20 30 FFEDLO COc1cc(C[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)ccc1C#N ZINC000442816398 513786128 /nfs/dbraw/zinc/78/61/28/513786128.db2.gz XTTBRKUMTSVJET-UHFFFAOYSA-N 1 2 367.424 2.593 20 30 FFEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000448623359 513816662 /nfs/dbraw/zinc/81/66/62/513816662.db2.gz UKZRUFRHQBVFRQ-UHFFFAOYSA-N 1 2 372.856 2.685 20 30 FFEDLO CC(C)(C)CN(CCC#N)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442950116 513824346 /nfs/dbraw/zinc/82/43/46/513824346.db2.gz CSDAQYXVOGDZGS-UHFFFAOYSA-N 1 2 360.483 2.882 20 30 FFEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccsc1 ZINC000443085794 513866780 /nfs/dbraw/zinc/86/67/80/513866780.db2.gz CZHOKWQQLSMPNV-CQSZACIVSA-N 1 2 369.899 2.854 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000414134185 513985041 /nfs/dbraw/zinc/98/50/41/513985041.db2.gz HBKFTILEDWIJFU-QGZVFWFLSA-N 1 2 355.394 2.847 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000414134185 513985046 /nfs/dbraw/zinc/98/50/46/513985046.db2.gz HBKFTILEDWIJFU-QGZVFWFLSA-N 1 2 355.394 2.847 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000443643694 514011086 /nfs/dbraw/zinc/01/10/86/514011086.db2.gz VZDQAFXSKSOKGQ-QGZVFWFLSA-N 1 2 369.852 2.981 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000443643694 514011093 /nfs/dbraw/zinc/01/10/93/514011093.db2.gz VZDQAFXSKSOKGQ-QGZVFWFLSA-N 1 2 369.852 2.981 20 30 FFEDLO CC(C)(C#N)CCCC[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000444587440 514265440 /nfs/dbraw/zinc/26/54/40/514265440.db2.gz AIUJAWDJYISUCY-UHFFFAOYSA-N 1 2 374.510 2.585 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452332535 514288164 /nfs/dbraw/zinc/28/81/64/514288164.db2.gz HGMIDBFYTPVIBM-UHFFFAOYSA-N 1 2 354.410 2.897 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]([C@@H](O)C(F)(F)F)C3)o2)c1 ZINC000444718657 514302763 /nfs/dbraw/zinc/30/27/63/514302763.db2.gz OYWQHCCMYDFZIA-DZGCQCFKSA-N 1 2 366.343 2.743 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]([C@@H](O)C(F)(F)F)C3)o2)c1 ZINC000444718657 514302767 /nfs/dbraw/zinc/30/27/67/514302767.db2.gz OYWQHCCMYDFZIA-DZGCQCFKSA-N 1 2 366.343 2.743 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2ccc(C#N)s2)CC1 ZINC000420886740 514353652 /nfs/dbraw/zinc/35/36/52/514353652.db2.gz KNSNGTQAQFRIKF-CQSZACIVSA-N 1 2 355.467 2.603 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC(C)(C)[C@@H]1c1nccn1C ZINC000453025572 514513973 /nfs/dbraw/zinc/51/39/73/514513973.db2.gz UMHTWWIWBFZEPP-MJGOQNOKSA-N 1 2 355.482 2.971 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC(C)(C)[C@@H]1c1nccn1C ZINC000453025572 514513984 /nfs/dbraw/zinc/51/39/84/514513984.db2.gz UMHTWWIWBFZEPP-MJGOQNOKSA-N 1 2 355.482 2.971 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)CN1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000453025572 514513995 /nfs/dbraw/zinc/51/39/95/514513995.db2.gz UMHTWWIWBFZEPP-MJGOQNOKSA-N 1 2 355.482 2.971 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N(CCOC)Cc1ccc(C#N)cc1 ZINC000455452726 514532083 /nfs/dbraw/zinc/53/20/83/514532083.db2.gz BBGYIKDKIXMZNS-OAHLLOKOSA-N 1 2 355.442 2.694 20 30 FFEDLO N#Cc1cc(S(=O)(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)ccc1Cl ZINC000508093647 514663580 /nfs/dbraw/zinc/66/35/80/514663580.db2.gz IFBCEWGISNNPKI-UHFFFAOYSA-N 1 2 373.825 2.652 20 30 FFEDLO C[C@@H](NC(=O)Nc1ccc(CC#N)cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000455708392 514696369 /nfs/dbraw/zinc/69/63/69/514696369.db2.gz UDOBJSHGSUHNIK-OLZOCXBDSA-N 1 2 350.850 2.637 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000489078318 514698073 /nfs/dbraw/zinc/69/80/73/514698073.db2.gz QPUNNDWTUTUJES-HXUWFJFHSA-N 1 2 353.466 2.786 20 30 FFEDLO CCN(CCC[NH+](CC)CC)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000508191969 514700569 /nfs/dbraw/zinc/70/05/69/514700569.db2.gz FGSRQSXIBHVEPD-UHFFFAOYSA-N 1 2 350.488 2.575 20 30 FFEDLO CC[N@H+](CCCNC(=O)C(=O)Nc1cc(C)cc(C#N)c1)c1ccccc1 ZINC000453591209 514709182 /nfs/dbraw/zinc/70/91/82/514709182.db2.gz PMTUWWALDHLUEE-UHFFFAOYSA-N 1 2 364.449 2.838 20 30 FFEDLO CC[N@@H+](CCCNC(=O)C(=O)Nc1cc(C)cc(C#N)c1)c1ccccc1 ZINC000453591209 514709193 /nfs/dbraw/zinc/70/91/93/514709193.db2.gz PMTUWWALDHLUEE-UHFFFAOYSA-N 1 2 364.449 2.838 20 30 FFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455795505 514743040 /nfs/dbraw/zinc/74/30/40/514743040.db2.gz UHKWXDUMOVLFKF-CYBMUJFWSA-N 1 2 370.844 2.912 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(C#N)cn2C)[C@@H](C)C1 ZINC000508327463 514744839 /nfs/dbraw/zinc/74/48/39/514744839.db2.gz BEHDBTHCNSDYGA-INIZCTEOSA-N 1 2 366.465 2.642 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(C#N)cn2C)[C@@H](C)C1 ZINC000508327463 514744846 /nfs/dbraw/zinc/74/48/46/514744846.db2.gz BEHDBTHCNSDYGA-INIZCTEOSA-N 1 2 366.465 2.642 20 30 FFEDLO COc1ccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3F)CC2=O)cc1 ZINC000466901768 514820617 /nfs/dbraw/zinc/82/06/17/514820617.db2.gz AKPSJLMCXNFHJH-UHFFFAOYSA-N 1 2 367.424 2.940 20 30 FFEDLO COc1ccc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3F)CC2=O)cc1 ZINC000466901768 514820630 /nfs/dbraw/zinc/82/06/30/514820630.db2.gz AKPSJLMCXNFHJH-UHFFFAOYSA-N 1 2 367.424 2.940 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503214901 514964622 /nfs/dbraw/zinc/96/46/22/514964622.db2.gz HRTWLTOZVZSLLM-ROUUACIJSA-N 1 2 359.514 2.951 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503214901 514964633 /nfs/dbraw/zinc/96/46/33/514964633.db2.gz HRTWLTOZVZSLLM-ROUUACIJSA-N 1 2 359.514 2.951 20 30 FFEDLO COc1ccc(F)c(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000509094449 515019391 /nfs/dbraw/zinc/01/93/91/515019391.db2.gz LKQWAXOJZJZCMO-VBKZILBWSA-N 1 2 351.381 2.680 20 30 FFEDLO COc1ccc(F)c(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000509094449 515019402 /nfs/dbraw/zinc/01/94/02/515019402.db2.gz LKQWAXOJZJZCMO-VBKZILBWSA-N 1 2 351.381 2.680 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000453952241 515051710 /nfs/dbraw/zinc/05/17/10/515051710.db2.gz PXCXSFMMQIYQTQ-MSOLQXFVSA-N 1 2 367.405 2.662 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)c2[nH+]ccn2CC)c1 ZINC000453962944 515067829 /nfs/dbraw/zinc/06/78/29/515067829.db2.gz HLEWXMISWHLPTR-AWEZNQCLSA-N 1 2 356.426 2.674 20 30 FFEDLO Cc1cc(C)c(CNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)c[nH+]1 ZINC000454032159 515148203 /nfs/dbraw/zinc/14/82/03/515148203.db2.gz NYOSNQUAFUGQPM-UHFFFAOYSA-N 1 2 366.421 2.636 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000485868412 515228112 /nfs/dbraw/zinc/22/81/12/515228112.db2.gz JVOANPWWJTVIBM-KRWDZBQOSA-N 1 2 372.513 2.785 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000485868412 515228121 /nfs/dbraw/zinc/22/81/21/515228121.db2.gz JVOANPWWJTVIBM-KRWDZBQOSA-N 1 2 372.513 2.785 20 30 FFEDLO C[C@@H](NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)c1ccc(C#N)cc1 ZINC000490747841 515297349 /nfs/dbraw/zinc/29/73/49/515297349.db2.gz WSOMQPWTZHFFIP-CQSZACIVSA-N 1 2 373.416 2.775 20 30 FFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC000463041336 515343476 /nfs/dbraw/zinc/34/34/76/515343476.db2.gz YGDLLWINHUNDSA-HNNXBMFYSA-N 1 2 355.463 2.904 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000499596485 515381932 /nfs/dbraw/zinc/38/19/32/515381932.db2.gz VJQVENGMSYNLKD-UHFFFAOYSA-N 1 2 354.410 2.708 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nc3ccc(Br)cc3o2)C1=O ZINC000463207849 515394871 /nfs/dbraw/zinc/39/48/71/515394871.db2.gz VTGPBCOGFQTWJK-ZDUSSCGKSA-N 1 2 364.243 2.809 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nc3ccc(Br)cc3o2)C1=O ZINC000463207849 515394877 /nfs/dbraw/zinc/39/48/77/515394877.db2.gz VTGPBCOGFQTWJK-ZDUSSCGKSA-N 1 2 364.243 2.809 20 30 FFEDLO COc1ncc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c(C)n1 ZINC000499733115 515431497 /nfs/dbraw/zinc/43/14/97/515431497.db2.gz NLCNYMNVCASWKC-UHFFFAOYSA-N 1 2 357.845 2.641 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](CCOC)Cc2cc(Br)cs2)C1=O ZINC000499736044 515433030 /nfs/dbraw/zinc/43/30/30/515433030.db2.gz SHXZPDSAUQTCET-AWEZNQCLSA-N 1 2 373.316 2.746 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](CCOC)Cc2cc(Br)cs2)C1=O ZINC000499736044 515433040 /nfs/dbraw/zinc/43/30/40/515433040.db2.gz SHXZPDSAUQTCET-AWEZNQCLSA-N 1 2 373.316 2.746 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000510365142 515518955 /nfs/dbraw/zinc/51/89/55/515518955.db2.gz XKTBQQBEJVTYIN-QGZVFWFLSA-N 1 2 358.442 2.744 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)C1=O ZINC000499945121 515527647 /nfs/dbraw/zinc/52/76/47/515527647.db2.gz KPNWYSTYVXITIH-CPUCHLNUSA-N 1 2 363.889 2.624 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)C1=O ZINC000499945121 515527656 /nfs/dbraw/zinc/52/76/56/515527656.db2.gz KPNWYSTYVXITIH-CPUCHLNUSA-N 1 2 363.889 2.624 20 30 FFEDLO Cc1c(C#N)cccc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000510466634 515547715 /nfs/dbraw/zinc/54/77/15/515547715.db2.gz YRCMKBWJLLLYAR-GASCZTMLSA-N 1 2 364.449 2.805 20 30 FFEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000492659489 515553434 /nfs/dbraw/zinc/55/34/34/515553434.db2.gz MDHXJLZJXHZNER-OAHLLOKOSA-N 1 2 360.889 2.735 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](CC(C)C)c2ccccc2)C1=O ZINC000500014166 515558811 /nfs/dbraw/zinc/55/88/11/515558811.db2.gz MTIRJKIBWNGGDP-RTBURBONSA-N 1 2 357.498 2.609 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](CC(C)C)c2ccccc2)C1=O ZINC000500014166 515558821 /nfs/dbraw/zinc/55/88/21/515558821.db2.gz MTIRJKIBWNGGDP-RTBURBONSA-N 1 2 357.498 2.609 20 30 FFEDLO CC#CCCCC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000456988735 515567013 /nfs/dbraw/zinc/56/70/13/515567013.db2.gz UOJVCIJWAILOES-UHFFFAOYSA-N 1 2 366.259 2.813 20 30 FFEDLO C=CCCc1ccccc1NC(=O)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000505679381 515632677 /nfs/dbraw/zinc/63/26/77/515632677.db2.gz WHXQSMDRLOKMQV-QGZVFWFLSA-N 1 2 366.465 2.942 20 30 FFEDLO C=CCOc1c(Br)cc(C[NH+]2CC(CCO)C2)cc1OC ZINC000459598318 515682818 /nfs/dbraw/zinc/68/28/18/515682818.db2.gz WGWRCKYSCMIHHX-UHFFFAOYSA-N 1 2 356.260 2.837 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494229357 515777211 /nfs/dbraw/zinc/77/72/11/515777211.db2.gz BXFMZGFRQNGUPP-UHFFFAOYSA-N 1 2 373.453 2.874 20 30 FFEDLO N#CCSc1ccccc1NC(=O)C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494229357 515777220 /nfs/dbraw/zinc/77/72/20/515777220.db2.gz BXFMZGFRQNGUPP-UHFFFAOYSA-N 1 2 373.453 2.874 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000469367272 515787432 /nfs/dbraw/zinc/78/74/32/515787432.db2.gz LEFBQGLLNQUAKW-PWIZWCRZSA-N 1 2 358.482 2.882 20 30 FFEDLO C=C(C)CN(CC)C(=O)CN1CCc2c([nH+]cn2-c2ccc(C)cc2)C1 ZINC000487950524 516048254 /nfs/dbraw/zinc/04/82/54/516048254.db2.gz AMXJJDNAXYKYHW-UHFFFAOYSA-N 1 2 352.482 2.963 20 30 FFEDLO CCc1c[nH+]ccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000511891398 516068104 /nfs/dbraw/zinc/06/81/04/516068104.db2.gz ZCEKRMUAYHZSKG-UHFFFAOYSA-N 1 2 350.422 2.731 20 30 FFEDLO Cc1nc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)ccc1C#N ZINC000488092103 516114317 /nfs/dbraw/zinc/11/43/17/516114317.db2.gz DNOQBXPHEAXEPP-PKOBYXMFSA-N 1 2 356.857 2.821 20 30 FFEDLO Cc1nc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC000488092103 516114330 /nfs/dbraw/zinc/11/43/30/516114330.db2.gz DNOQBXPHEAXEPP-PKOBYXMFSA-N 1 2 356.857 2.821 20 30 FFEDLO Cc1cc(C[NH+]2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)ccc1C#N ZINC000488177597 516146264 /nfs/dbraw/zinc/14/62/64/516146264.db2.gz DAVRHUAJEVUCKS-LAUBAEHRSA-N 1 2 368.525 2.679 20 30 FFEDLO Cc1cc(C[NH+]2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)ccc1C#N ZINC000488177601 516147066 /nfs/dbraw/zinc/14/70/66/516147066.db2.gz DAVRHUAJEVUCKS-UWJYYQICSA-N 1 2 368.525 2.679 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000507277942 516150917 /nfs/dbraw/zinc/15/09/17/516150917.db2.gz KGCORQDLDNEZJD-NRFANRHFSA-N 1 2 374.488 2.874 20 30 FFEDLO CCN(C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1)C1CCCCC1 ZINC000507314150 516169901 /nfs/dbraw/zinc/16/99/01/516169901.db2.gz DFNCHGMJRZAATR-UHFFFAOYSA-N 1 2 354.498 2.861 20 30 FFEDLO Cc1ccc([C@@H](CNC(=O)N(C)CC(C)(C)C#N)[NH+]2CCOCC2)cc1 ZINC000457906431 516223675 /nfs/dbraw/zinc/22/36/75/516223675.db2.gz BRCIUFUFFGUDLW-GOSISDBHSA-N 1 2 358.486 2.560 20 30 FFEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cn(CCCC#N)c3ccccc23)CCO1 ZINC000470456833 516259278 /nfs/dbraw/zinc/25/92/78/516259278.db2.gz SVRBDZJBCSGGDT-QGZVFWFLSA-N 1 2 368.481 2.786 20 30 FFEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cn(CCCC#N)c3ccccc23)CCO1 ZINC000470456833 516259283 /nfs/dbraw/zinc/25/92/83/516259283.db2.gz SVRBDZJBCSGGDT-QGZVFWFLSA-N 1 2 368.481 2.786 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)N1CCc2sccc2C1)Cc1ccc(CO)o1 ZINC000512411017 516269085 /nfs/dbraw/zinc/26/90/85/516269085.db2.gz WDJFQNHLFOJMKM-UHFFFAOYSA-N 1 2 360.479 2.796 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)N1CCc2sccc2C1)Cc1ccc(CO)o1 ZINC000512411017 516269090 /nfs/dbraw/zinc/26/90/90/516269090.db2.gz WDJFQNHLFOJMKM-UHFFFAOYSA-N 1 2 360.479 2.796 20 30 FFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000512512768 516298378 /nfs/dbraw/zinc/29/83/78/516298378.db2.gz ZPKQEZJUFMFBPP-HNNXBMFYSA-N 1 2 363.506 2.855 20 30 FFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000512512768 516298380 /nfs/dbraw/zinc/29/83/80/516298380.db2.gz ZPKQEZJUFMFBPP-HNNXBMFYSA-N 1 2 363.506 2.855 20 30 FFEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc(C#N)cc1Br ZINC000557696778 516390129 /nfs/dbraw/zinc/39/01/29/516390129.db2.gz JGAVRQJWTHHESO-GXTWGEPZSA-N 1 2 350.260 2.620 20 30 FFEDLO C[N@H+](CCc1cnccn1)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000540046106 516419566 /nfs/dbraw/zinc/41/95/66/516419566.db2.gz VNLHDYJEFGXVJN-UHFFFAOYSA-N 1 2 369.494 2.792 20 30 FFEDLO C[N@@H+](CCc1cnccn1)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000540046106 516419575 /nfs/dbraw/zinc/41/95/75/516419575.db2.gz VNLHDYJEFGXVJN-UHFFFAOYSA-N 1 2 369.494 2.792 20 30 FFEDLO CC(C)N(CCC#N)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000523283361 516423874 /nfs/dbraw/zinc/42/38/74/516423874.db2.gz GJYSFMWDQIRXHO-UHFFFAOYSA-N 1 2 353.426 2.676 20 30 FFEDLO COc1cc(Br)c(C[NH2+]C[C@@H](C#N)CCC#N)cc1OC ZINC000554552444 516504375 /nfs/dbraw/zinc/50/43/75/516504375.db2.gz YKOOIZSUPJPXDQ-LLVKDONJSA-N 1 2 352.232 2.999 20 30 FFEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1c[nH+]c(C)nc1N ZINC000561313955 516517355 /nfs/dbraw/zinc/51/73/55/516517355.db2.gz SNMKRBCEZPOTHM-UHFFFAOYSA-N 1 2 366.343 2.711 20 30 FFEDLO C[NH+](C)[C@@H](CNC(=O)NCCc1cccc(C#N)c1)c1c(F)cccc1F ZINC000554644676 516563731 /nfs/dbraw/zinc/56/37/31/516563731.db2.gz XFCBHAGUTXAAQG-SFHVURJKSA-N 1 2 372.419 2.981 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC3CC(C(F)(F)F)C3)CC2)cc1 ZINC000513379229 516595067 /nfs/dbraw/zinc/59/50/67/516595067.db2.gz UKVQRSFXVGDBJC-UHFFFAOYSA-N 1 2 366.387 2.726 20 30 FFEDLO COc1ccccc1O[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000513396644 516605030 /nfs/dbraw/zinc/60/50/30/516605030.db2.gz FLNSJOYMJYOXAN-PXNSSMCTSA-N 1 2 365.433 2.637 20 30 FFEDLO COc1ccccc1O[C@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000513396644 516605035 /nfs/dbraw/zinc/60/50/35/516605035.db2.gz FLNSJOYMJYOXAN-PXNSSMCTSA-N 1 2 365.433 2.637 20 30 FFEDLO C=CCCCNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000554727747 516607965 /nfs/dbraw/zinc/60/79/65/516607965.db2.gz AOGBCPJLWRSDDB-HNNXBMFYSA-N 1 2 363.889 2.628 20 30 FFEDLO CC(C)(C(=O)NCc1ccc(-c2ccccc2C#N)cc1)[NH+]1CCOCC1 ZINC000513631586 516697933 /nfs/dbraw/zinc/69/79/33/516697933.db2.gz CXZILMFVVZCPNA-UHFFFAOYSA-N 1 2 363.461 2.952 20 30 FFEDLO Cc1cccc(NC(=O)C(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1C#N ZINC000551634194 516795619 /nfs/dbraw/zinc/79/56/19/516795619.db2.gz DLQYNFRJGIKSOS-GOSISDBHSA-N 1 2 373.416 2.776 20 30 FFEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000558572470 516815684 /nfs/dbraw/zinc/81/56/84/516815684.db2.gz ZWWLOSPCMBHGNT-XJKSGUPXSA-N 1 2 353.388 2.872 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000558661807 516868346 /nfs/dbraw/zinc/86/83/46/516868346.db2.gz RRHOTUPKTATLQD-QWHCGFSZSA-N 1 2 355.467 2.579 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000558661807 516868357 /nfs/dbraw/zinc/86/83/57/516868357.db2.gz RRHOTUPKTATLQD-QWHCGFSZSA-N 1 2 355.467 2.579 20 30 FFEDLO Cc1c(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)cnn1C ZINC000519074080 516875413 /nfs/dbraw/zinc/87/54/13/516875413.db2.gz IWYKTOKZSOMXQR-UHFFFAOYSA-N 1 2 353.470 2.724 20 30 FFEDLO Cc1c(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)cnn1C ZINC000519074080 516875418 /nfs/dbraw/zinc/87/54/18/516875418.db2.gz IWYKTOKZSOMXQR-UHFFFAOYSA-N 1 2 353.470 2.724 20 30 FFEDLO C=CCCCC[NH+]1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000519077317 516876402 /nfs/dbraw/zinc/87/64/02/516876402.db2.gz ULBMIOYXXKUGOM-UHFFFAOYSA-N 1 2 350.484 2.552 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1C#N ZINC000552016719 517029785 /nfs/dbraw/zinc/02/97/85/517029785.db2.gz JVLSSGOBWPJMHO-MRXNPFEDSA-N 1 2 356.344 2.624 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1C#N ZINC000552016719 517029794 /nfs/dbraw/zinc/02/97/94/517029794.db2.gz JVLSSGOBWPJMHO-MRXNPFEDSA-N 1 2 356.344 2.624 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC000519548251 517040374 /nfs/dbraw/zinc/04/03/74/517040374.db2.gz SDGCFHGNBIYLRL-FQEVSTJZSA-N 1 2 369.469 2.899 20 30 FFEDLO C=CCC1(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCCC1 ZINC000514911940 517119165 /nfs/dbraw/zinc/11/91/65/517119165.db2.gz BDRUWUUDSPOSOR-UHFFFAOYSA-N 1 2 356.470 2.544 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000533065529 517275977 /nfs/dbraw/zinc/27/59/77/517275977.db2.gz YWUQVNURZUCSGE-SFHVURJKSA-N 1 2 353.470 2.862 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000533065529 517275986 /nfs/dbraw/zinc/27/59/86/517275986.db2.gz YWUQVNURZUCSGE-SFHVURJKSA-N 1 2 353.470 2.862 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C#N ZINC000541894608 517280867 /nfs/dbraw/zinc/28/08/67/517280867.db2.gz PTMAKNKBFFLALT-STQMWFEESA-N 1 2 374.510 2.764 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C#N ZINC000541894608 517280872 /nfs/dbraw/zinc/28/08/72/517280872.db2.gz PTMAKNKBFFLALT-STQMWFEESA-N 1 2 374.510 2.764 20 30 FFEDLO N#Cc1ccccc1S(=O)(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542121488 517392226 /nfs/dbraw/zinc/39/22/26/517392226.db2.gz LVAAONOLQNTGHC-UHFFFAOYSA-N 1 2 358.467 2.636 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(c3nc(C)cc(C)n3)CC2)cc1OC ZINC000542177070 517422247 /nfs/dbraw/zinc/42/22/47/517422247.db2.gz PKVMOBUTARNYHU-UHFFFAOYSA-N 1 2 368.481 2.989 20 30 FFEDLO C=C(CC)C[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000537994061 517427024 /nfs/dbraw/zinc/42/70/24/517427024.db2.gz ZHXCIFSRDJHTLE-UHFFFAOYSA-N 1 2 362.417 2.978 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000533371560 517430481 /nfs/dbraw/zinc/43/04/81/517430481.db2.gz HWELGBIEWUCINL-UHFFFAOYSA-N 1 2 368.868 2.650 20 30 FFEDLO CN(Cc1c[nH+]cn1Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000527106812 517504756 /nfs/dbraw/zinc/50/47/56/517504756.db2.gz NAKACEQVYAFVOB-UHFFFAOYSA-N 1 2 366.446 2.624 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1C#N ZINC000559989658 517520266 /nfs/dbraw/zinc/52/02/66/517520266.db2.gz AXDPBDWNLHFOSS-HZPDHXFCSA-N 1 2 368.462 2.556 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1C#N ZINC000559989658 517520274 /nfs/dbraw/zinc/52/02/74/517520274.db2.gz AXDPBDWNLHFOSS-HZPDHXFCSA-N 1 2 368.462 2.556 20 30 FFEDLO C=CCn1c(SCC[N@@H+]2CCO[C@H](C)C2)nnc1-c1cccc(OC)c1 ZINC000559998301 517525588 /nfs/dbraw/zinc/52/55/88/517525588.db2.gz RLQGKIAIFXEHQF-OAHLLOKOSA-N 1 2 374.510 2.953 20 30 FFEDLO C=CCn1c(SCC[N@H+]2CCO[C@H](C)C2)nnc1-c1cccc(OC)c1 ZINC000559998301 517525595 /nfs/dbraw/zinc/52/55/95/517525595.db2.gz RLQGKIAIFXEHQF-OAHLLOKOSA-N 1 2 374.510 2.953 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000527190824 517550606 /nfs/dbraw/zinc/55/06/06/517550606.db2.gz UAHLJTOADJQHBJ-DBXWQHBBSA-N 1 2 368.525 2.932 20 30 FFEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1nnnn1-c1ccccc1 ZINC000542570661 517633933 /nfs/dbraw/zinc/63/39/33/517633933.db2.gz COMLNIGVKCPQBM-GFCCVEGCSA-N 1 2 370.363 2.986 20 30 FFEDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2nc(C)cc(C#N)n2)CC1 ZINC000553311000 517637737 /nfs/dbraw/zinc/63/77/37/517637737.db2.gz RBNIGKCAAHHAPF-UHFFFAOYSA-N 1 2 357.845 2.641 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000563087314 517650032 /nfs/dbraw/zinc/65/00/32/517650032.db2.gz YPMJHICVASQDMG-AKHDSKFASA-N 1 2 352.438 2.754 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000563087318 517650194 /nfs/dbraw/zinc/65/01/94/517650194.db2.gz YPMJHICVASQDMG-YDZRNGNQSA-N 1 2 352.438 2.754 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2conc2Cc2ccccc2)CC1 ZINC000556795610 517664124 /nfs/dbraw/zinc/66/41/24/517664124.db2.gz HVQJXVZSLUDTQL-UHFFFAOYSA-N 1 2 359.433 2.854 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc(CC#N)cc3)c[nH+]2)C[C@H](C)O1 ZINC000533925532 517670807 /nfs/dbraw/zinc/67/08/07/517670807.db2.gz VOZFDKPWJGJREO-HOTGVXAUSA-N 1 2 364.449 2.691 20 30 FFEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[N@H+](Cc3cscn3)CC2)c1 ZINC000556817828 517681171 /nfs/dbraw/zinc/68/11/71/517681171.db2.gz VKJLVRISGSSUOT-RBUKOAKNSA-N 1 2 366.490 2.853 20 30 FFEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[N@@H+](Cc3cscn3)CC2)c1 ZINC000556817828 517681181 /nfs/dbraw/zinc/68/11/81/517681181.db2.gz VKJLVRISGSSUOT-RBUKOAKNSA-N 1 2 366.490 2.853 20 30 FFEDLO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2cc(C(N)=O)no2)c1 ZINC000542694114 517690507 /nfs/dbraw/zinc/69/05/07/517690507.db2.gz MISRPOGOXTUSSH-UHFFFAOYSA-N 1 2 362.389 2.514 20 30 FFEDLO Cc1cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)nn1-c1cccc(C#N)c1 ZINC000542811688 517759568 /nfs/dbraw/zinc/75/95/68/517759568.db2.gz WEGOFGJXAVTCNW-GOSISDBHSA-N 1 2 360.421 2.554 20 30 FFEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546919903 517920876 /nfs/dbraw/zinc/92/08/76/517920876.db2.gz ZNCKEFCVMJSOKA-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C1(c3cc(F)cc(C#N)c3)CC1)CCC2 ZINC000560605911 517925729 /nfs/dbraw/zinc/92/57/29/517925729.db2.gz OPSXVTSOEJOHRW-HNNXBMFYSA-N 1 2 352.413 2.928 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000550232534 517940242 /nfs/dbraw/zinc/94/02/42/517940242.db2.gz MIUHELWPFXUIKX-YOEHRIQHSA-N 1 2 372.444 2.626 20 30 FFEDLO C=CCOc1ccccc1CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000522103005 517984751 /nfs/dbraw/zinc/98/47/51/517984751.db2.gz LEBIVEZMEAZUQZ-UHFFFAOYSA-N 1 2 355.438 2.872 20 30 FFEDLO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c2[nH+]ccn21 ZINC000517072238 518011742 /nfs/dbraw/zinc/01/17/42/518011742.db2.gz VDZWPDLEHCWLFC-RNCFNFMXSA-N 1 2 370.356 2.758 20 30 FFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000517142068 518039862 /nfs/dbraw/zinc/03/98/62/518039862.db2.gz HRLTXEYTYMXKRJ-CYBMUJFWSA-N 1 2 357.907 2.820 20 30 FFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000517142068 518039872 /nfs/dbraw/zinc/03/98/72/518039872.db2.gz HRLTXEYTYMXKRJ-CYBMUJFWSA-N 1 2 357.907 2.820 20 30 FFEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000547306919 518067769 /nfs/dbraw/zinc/06/77/69/518067769.db2.gz VVZMLDGECAOPLS-UHFFFAOYSA-N 1 2 371.404 2.585 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(Br)cc(F)c2F)C1=O ZINC000563711785 518083720 /nfs/dbraw/zinc/08/37/20/518083720.db2.gz AJSROJJRXWVVRA-CYBMUJFWSA-N 1 2 359.214 2.946 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(Br)cc(F)c2F)C1=O ZINC000563711785 518083710 /nfs/dbraw/zinc/08/37/10/518083710.db2.gz AJSROJJRXWVVRA-CYBMUJFWSA-N 1 2 359.214 2.946 20 30 FFEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000550489447 518084019 /nfs/dbraw/zinc/08/40/19/518084019.db2.gz IPTOUXLNDPNBPT-LLVKDONJSA-N 1 2 356.207 2.573 20 30 FFEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000550489447 518084024 /nfs/dbraw/zinc/08/40/24/518084024.db2.gz IPTOUXLNDPNBPT-LLVKDONJSA-N 1 2 356.207 2.573 20 30 FFEDLO C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(F)c(F)c1 ZINC000557578490 518087785 /nfs/dbraw/zinc/08/77/85/518087785.db2.gz YEXPDKHGKBZFGJ-QGZVFWFLSA-N 1 2 370.359 2.985 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(F)(c3ccccn3)CC2)c1 ZINC000563782956 518121974 /nfs/dbraw/zinc/12/19/74/518121974.db2.gz ITKKDDCGQARUKD-UHFFFAOYSA-N 1 2 373.453 2.688 20 30 FFEDLO COc1cc(C#N)ccc1NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000547415970 518128957 /nfs/dbraw/zinc/12/89/57/518128957.db2.gz JXQPQRGYERVPFJ-UHFFFAOYSA-N 1 2 351.410 2.884 20 30 FFEDLO COC(=O)c1ccc(C[N@H+](C)Cc2cccc(C(=O)OC)c2C#N)cc1 ZINC000535205348 518165760 /nfs/dbraw/zinc/16/57/60/518165760.db2.gz ICUBYYIMDMDXAW-UHFFFAOYSA-N 1 2 352.390 2.763 20 30 FFEDLO COC(=O)c1ccc(C[N@@H+](C)Cc2cccc(C(=O)OC)c2C#N)cc1 ZINC000535205348 518165763 /nfs/dbraw/zinc/16/57/63/518165763.db2.gz ICUBYYIMDMDXAW-UHFFFAOYSA-N 1 2 352.390 2.763 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c1 ZINC000563853343 518204216 /nfs/dbraw/zinc/20/42/16/518204216.db2.gz GVNASZNNXHTQMS-HNNXBMFYSA-N 1 2 362.271 2.908 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)c1 ZINC000563853343 518204218 /nfs/dbraw/zinc/20/42/18/518204218.db2.gz GVNASZNNXHTQMS-HNNXBMFYSA-N 1 2 362.271 2.908 20 30 FFEDLO C=C(C)C[N@H+](CC(=O)NC(=O)NC1CCCC1)Cc1cnn(C(C)C)c1 ZINC000581564035 518347987 /nfs/dbraw/zinc/34/79/87/518347987.db2.gz AEIIDZDJBYTXIN-UHFFFAOYSA-N 1 2 361.490 2.611 20 30 FFEDLO C=C(C)C[N@@H+](CC(=O)NC(=O)NC1CCCC1)Cc1cnn(C(C)C)c1 ZINC000581564035 518347997 /nfs/dbraw/zinc/34/79/97/518347997.db2.gz AEIIDZDJBYTXIN-UHFFFAOYSA-N 1 2 361.490 2.611 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)COc3cc(F)cc(F)c3)CC2)cc1 ZINC000572889992 518407614 /nfs/dbraw/zinc/40/76/14/518407614.db2.gz KJRTUIMRZARIMP-UHFFFAOYSA-N 1 2 371.387 2.560 20 30 FFEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000581902798 518494747 /nfs/dbraw/zinc/49/47/47/518494747.db2.gz BAEYZNZRQUOFFT-KRWDZBQOSA-N 1 2 356.474 2.763 20 30 FFEDLO N#Cc1ccc2[nH+]cc(CN3C[C@H]4Oc5c(F)ccc(F)c5O[C@H]4C3)n2c1 ZINC000573085672 518500969 /nfs/dbraw/zinc/50/09/69/518500969.db2.gz SGHQJSRDSBRAGV-IYBDPMFKSA-N 1 2 368.343 2.508 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)C1=O ZINC000576442499 518593729 /nfs/dbraw/zinc/59/37/29/518593729.db2.gz OBRPZUOJOIQMDV-QGZVFWFLSA-N 1 2 365.458 2.978 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2Cc3ccc(O)cc3C3(CC3)C2)C1=O ZINC000576442499 518593732 /nfs/dbraw/zinc/59/37/32/518593732.db2.gz OBRPZUOJOIQMDV-QGZVFWFLSA-N 1 2 365.458 2.978 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000573516175 518703572 /nfs/dbraw/zinc/70/35/72/518703572.db2.gz ABYODAGTZDXJBR-AWEZNQCLSA-N 1 2 369.856 2.756 20 30 FFEDLO CCn1c2nnc(C[NH+]3CCC(CCC#N)CC3)n2c2ccccc2c1=O ZINC000567791379 518712428 /nfs/dbraw/zinc/71/24/28/518712428.db2.gz PHIKDZNGOJSQPI-UHFFFAOYSA-N 1 2 364.453 2.580 20 30 FFEDLO N#Cc1ccc(N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)nn1 ZINC000588064861 518715078 /nfs/dbraw/zinc/71/50/78/518715078.db2.gz ABQNIFXXCHFJEP-UHFFFAOYSA-N 1 2 373.214 2.607 20 30 FFEDLO CN(C)c1[nH+]cccc1N(C)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000582377619 518724287 /nfs/dbraw/zinc/72/42/87/518724287.db2.gz RFJWGAUYXKFTOE-OAHLLOKOSA-N 1 2 367.428 2.648 20 30 FFEDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1C ZINC000573635026 518760676 /nfs/dbraw/zinc/76/06/76/518760676.db2.gz BMGIXMLPACECRQ-SFHVURJKSA-N 1 2 350.422 2.662 20 30 FFEDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1C ZINC000573635026 518760681 /nfs/dbraw/zinc/76/06/81/518760681.db2.gz BMGIXMLPACECRQ-SFHVURJKSA-N 1 2 350.422 2.662 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c([N+](=O)[O-])c1 ZINC000565047376 518760814 /nfs/dbraw/zinc/76/08/14/518760814.db2.gz PXOUXINSFVNDMK-UHFFFAOYSA-N 1 2 370.434 2.876 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)c([N+](=O)[O-])c1 ZINC000565047376 518760823 /nfs/dbraw/zinc/76/08/23/518760823.db2.gz PXOUXINSFVNDMK-UHFFFAOYSA-N 1 2 370.434 2.876 20 30 FFEDLO C[C@@H](CC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)n1cc[nH+]c1 ZINC000576880821 518809473 /nfs/dbraw/zinc/80/94/73/518809473.db2.gz YUJJMVKROGNEPB-AWEZNQCLSA-N 1 2 357.845 2.708 20 30 FFEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1ccc(Cl)cc1C#N ZINC000588831320 518842064 /nfs/dbraw/zinc/84/20/64/518842064.db2.gz FUOXUKKBQKMMQW-RDJZCZTQSA-N 1 2 361.852 2.994 20 30 FFEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1ccc(Cl)cc1C#N ZINC000588831320 518842066 /nfs/dbraw/zinc/84/20/66/518842066.db2.gz FUOXUKKBQKMMQW-RDJZCZTQSA-N 1 2 361.852 2.994 20 30 FFEDLO C[C@H](c1ccccc1)[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000577021471 518876560 /nfs/dbraw/zinc/87/65/60/518876560.db2.gz GDTNTXIPAHVMAD-OAHLLOKOSA-N 1 2 355.463 2.953 20 30 FFEDLO C[C@H](c1ccccc1)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000577021471 518876567 /nfs/dbraw/zinc/87/65/67/518876567.db2.gz GDTNTXIPAHVMAD-OAHLLOKOSA-N 1 2 355.463 2.953 20 30 FFEDLO CC(C)[C@@H]1c2ccccc2CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588961973 518882863 /nfs/dbraw/zinc/88/28/63/518882863.db2.gz AJBPUQYGIHVXMO-HXUWFJFHSA-N 1 2 369.490 2.982 20 30 FFEDLO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588961973 518882867 /nfs/dbraw/zinc/88/28/67/518882867.db2.gz AJBPUQYGIHVXMO-HXUWFJFHSA-N 1 2 369.490 2.982 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1c(Cl)cc(Cl)cc1Cl ZINC000571094326 518923015 /nfs/dbraw/zinc/92/30/15/518923015.db2.gz NSJRHADPBRKKHF-CQSZACIVSA-N 1 2 364.660 2.986 20 30 FFEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2c[nH+]cn2C)cc1C ZINC000582818122 518935151 /nfs/dbraw/zinc/93/51/51/518935151.db2.gz BRKCIRSTEDXXII-UHFFFAOYSA-N 1 2 362.437 2.744 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@@H+](C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000589267076 518968413 /nfs/dbraw/zinc/96/84/13/518968413.db2.gz GFYFYBWUQDGLRF-UHFFFAOYSA-N 1 2 357.483 2.987 20 30 FFEDLO Cc1cc(C#N)ccc1C[N@H+](C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000589267076 518968423 /nfs/dbraw/zinc/96/84/23/518968423.db2.gz GFYFYBWUQDGLRF-UHFFFAOYSA-N 1 2 357.483 2.987 20 30 FFEDLO N#CC1(N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C2CC2)CCC1 ZINC000580055173 518985417 /nfs/dbraw/zinc/98/54/17/518985417.db2.gz NTFQGZSOFMLONF-UHFFFAOYSA-N 1 2 351.366 2.831 20 30 FFEDLO N#Cc1csc(CN2CC[NH+](CCOc3ccc(Cl)cc3)CC2)n1 ZINC000574128049 518998421 /nfs/dbraw/zinc/99/84/21/518998421.db2.gz XQUFGLFZVNULGV-UHFFFAOYSA-N 1 2 362.886 2.865 20 30 FFEDLO CC(C)(C)c1[nH]c2ccc(NS(=O)(=O)c3cncc(C#N)c3)cc2[nH+]1 ZINC000589585610 519034669 /nfs/dbraw/zinc/03/46/69/519034669.db2.gz GAMXMPSWYCXQKP-UHFFFAOYSA-N 1 2 355.423 2.928 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000583123798 519085992 /nfs/dbraw/zinc/08/59/92/519085992.db2.gz KIPYHELORGWAHF-UXHICEINSA-N 1 2 363.461 2.852 20 30 FFEDLO Cc1nc([C@](C)([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C2CC2)no1 ZINC000577459542 519089029 /nfs/dbraw/zinc/08/90/29/519089029.db2.gz HXCYEIKNDUWOEI-YLJYHZDGSA-N 1 2 365.437 2.660 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000571428644 519091949 /nfs/dbraw/zinc/09/19/49/519091949.db2.gz ZPZUOLVIIUCJNG-QFBILLFUSA-N 1 2 364.486 2.566 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000571428644 519091956 /nfs/dbraw/zinc/09/19/56/519091956.db2.gz ZPZUOLVIIUCJNG-QFBILLFUSA-N 1 2 364.486 2.566 20 30 FFEDLO Cc1nc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)ccc1C#N ZINC000589863348 519095005 /nfs/dbraw/zinc/09/50/05/519095005.db2.gz UYSMDJUSHNRLQW-SFHVURJKSA-N 1 2 356.857 2.771 20 30 FFEDLO C[C@H]([C@H](C)Nc1cc(Br)c(C#N)cc1F)[NH+]1CCOCC1 ZINC000577509315 519117763 /nfs/dbraw/zinc/11/77/63/519117763.db2.gz CZKYGVZTTRESRO-WDEREUQCSA-N 1 2 356.239 2.981 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(O)cc(C(F)(F)F)c3)CC2)c1 ZINC000577566820 519142034 /nfs/dbraw/zinc/14/20/34/519142034.db2.gz BQCNPBJCJUBCLI-UHFFFAOYSA-N 1 2 362.355 3.000 20 30 FFEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000577571578 519143850 /nfs/dbraw/zinc/14/38/50/519143850.db2.gz NXABMCOIIZCPCY-GXTWGEPZSA-N 1 2 350.344 2.844 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000590168895 519166601 /nfs/dbraw/zinc/16/66/01/519166601.db2.gz WFWFSUULPWKGHJ-DBVUQKKJSA-N 1 2 372.488 2.653 20 30 FFEDLO Cc1nc(N)c(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)c[nH+]1 ZINC000590362592 519207769 /nfs/dbraw/zinc/20/77/69/519207769.db2.gz UAEGZTWMGZXJJY-UHFFFAOYSA-N 1 2 373.416 2.578 20 30 FFEDLO Cc1nc(SCC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c(C#N)c(C)c1C ZINC000565943850 519209996 /nfs/dbraw/zinc/20/99/96/519209996.db2.gz WCYVHHBLRFZYIW-KRWDZBQOSA-N 1 2 369.494 2.972 20 30 FFEDLO C[C@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)CCC(C)(C)C#N)CC1 ZINC000574557363 519215484 /nfs/dbraw/zinc/21/54/84/519215484.db2.gz QBPUKNCCXXJZHD-CQSZACIVSA-N 1 2 355.529 2.696 20 30 FFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000583574069 519319548 /nfs/dbraw/zinc/31/95/48/519319548.db2.gz NISOZBCDVZXPII-KBXCAEBGSA-N 1 2 371.872 2.651 20 30 FFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000583574069 519319552 /nfs/dbraw/zinc/31/95/52/519319552.db2.gz NISOZBCDVZXPII-KBXCAEBGSA-N 1 2 371.872 2.651 20 30 FFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000583574071 519319876 /nfs/dbraw/zinc/31/98/76/519319876.db2.gz NISOZBCDVZXPII-KSSFIOAISA-N 1 2 371.872 2.651 20 30 FFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000583574071 519319883 /nfs/dbraw/zinc/31/98/83/519319883.db2.gz NISOZBCDVZXPII-KSSFIOAISA-N 1 2 371.872 2.651 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000580757381 519341289 /nfs/dbraw/zinc/34/12/89/519341289.db2.gz NLTPKKLNVJWEET-IPELMVKDSA-N 1 2 359.470 2.935 20 30 FFEDLO C[C@@H](CC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)n1cc[nH+]c1 ZINC000572004470 519393243 /nfs/dbraw/zinc/39/32/43/519393243.db2.gz GPXUHOPUSDGXOU-INIZCTEOSA-N 1 2 374.448 2.603 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000569214519 519437698 /nfs/dbraw/zinc/43/76/98/519437698.db2.gz NSMXBFLAMRKSIL-SFHVURJKSA-N 1 2 350.422 2.969 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000569214519 519437703 /nfs/dbraw/zinc/43/77/03/519437703.db2.gz NSMXBFLAMRKSIL-SFHVURJKSA-N 1 2 350.422 2.969 20 30 FFEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000590949515 519453116 /nfs/dbraw/zinc/45/31/16/519453116.db2.gz VEIZQASGERGUIN-UHFFFAOYSA-N 1 2 358.486 2.771 20 30 FFEDLO Cc1ccc2c(c1)C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C(C)(C)C2 ZINC000566369279 519457926 /nfs/dbraw/zinc/45/79/26/519457926.db2.gz UNNJXFYDIVCMMM-UHFFFAOYSA-N 1 2 369.490 2.872 20 30 FFEDLO Cc1ccc2c(c1)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C(C)(C)C2 ZINC000566369279 519457934 /nfs/dbraw/zinc/45/79/34/519457934.db2.gz UNNJXFYDIVCMMM-UHFFFAOYSA-N 1 2 369.490 2.872 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1)c1ccccc1 ZINC000575129659 519515934 /nfs/dbraw/zinc/51/59/34/519515934.db2.gz XAFNHEWWDNSCPZ-MSOLQXFVSA-N 1 2 353.466 2.517 20 30 FFEDLO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1c[nH+]cn1C ZINC000566557473 519550571 /nfs/dbraw/zinc/55/05/71/519550571.db2.gz GFUZKDJVSHUUTF-GFCCVEGCSA-N 1 2 350.344 2.922 20 30 FFEDLO C=CCCCCNC(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000566585499 519562862 /nfs/dbraw/zinc/56/28/62/519562862.db2.gz RQXADNRPMCSOAO-LJQANCHMSA-N 1 2 368.481 2.830 20 30 FFEDLO CCC[C@H](NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602856690 519928080 /nfs/dbraw/zinc/92/80/80/519928080.db2.gz MBMKXSZZMVBMRD-RMJJICAUSA-N 1 2 356.514 2.951 20 30 FFEDLO CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602856690 519928089 /nfs/dbraw/zinc/92/80/89/519928089.db2.gz MBMKXSZZMVBMRD-RMJJICAUSA-N 1 2 356.514 2.951 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H](C)N1CC#N ZINC000602855466 519928852 /nfs/dbraw/zinc/92/88/52/519928852.db2.gz UYKRLIGARVEYBG-GASCZTMLSA-N 1 2 351.372 2.855 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H](C)N1CC#N ZINC000602855466 519928854 /nfs/dbraw/zinc/92/88/54/519928854.db2.gz UYKRLIGARVEYBG-GASCZTMLSA-N 1 2 351.372 2.855 20 30 FFEDLO CC(C)C[C@H](NC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602857306 519929271 /nfs/dbraw/zinc/92/92/71/519929271.db2.gz QPNFOLYCYODKNE-BJLQDIEVSA-N 1 2 356.514 2.808 20 30 FFEDLO C[C@@H]1C[NH+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)C[C@@H](C)N1CC#N ZINC000602860356 519932982 /nfs/dbraw/zinc/93/29/82/519932982.db2.gz IWQVWUGSMIEWRB-BRWVUGGUSA-N 1 2 372.538 2.822 20 30 FFEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602863087 519935275 /nfs/dbraw/zinc/93/52/75/519935275.db2.gz OLYKOUJBQJKQJG-HZSPNIEDSA-N 1 2 364.877 2.594 20 30 FFEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602863087 519935281 /nfs/dbraw/zinc/93/52/81/519935281.db2.gz OLYKOUJBQJKQJG-HZSPNIEDSA-N 1 2 364.877 2.594 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602885179 519948783 /nfs/dbraw/zinc/94/87/83/519948783.db2.gz COJCLBGMHSOCNR-OAHLLOKOSA-N 1 2 363.446 2.991 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602885179 519948789 /nfs/dbraw/zinc/94/87/89/519948789.db2.gz COJCLBGMHSOCNR-OAHLLOKOSA-N 1 2 363.446 2.991 20 30 FFEDLO N#Cc1ccccc1NC1CC[NH+]([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000602893791 519956281 /nfs/dbraw/zinc/95/62/81/519956281.db2.gz HPDXARIJJBXLEO-LJQANCHMSA-N 1 2 352.413 2.800 20 30 FFEDLO C[C@H](C(=O)NCC(F)(F)F)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602894397 519957613 /nfs/dbraw/zinc/95/76/13/519957613.db2.gz BHHABTJDYBUKHN-GFCCVEGCSA-N 1 2 354.376 2.502 20 30 FFEDLO CCOC(=O)c1c(C)n[nH]c1C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602906384 519965068 /nfs/dbraw/zinc/96/50/68/519965068.db2.gz HABBBUPMFUDGBA-UHFFFAOYSA-N 1 2 353.426 2.541 20 30 FFEDLO COC(=O)C12CCC(CC1)[N@@H+]2CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000602984977 520007725 /nfs/dbraw/zinc/00/77/25/520007725.db2.gz HAYPBGAQRACLJV-UHFFFAOYSA-N 1 2 373.478 2.607 20 30 FFEDLO COC(=O)C12CCC(CC1)[N@H+]2CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000602984977 520007734 /nfs/dbraw/zinc/00/77/34/520007734.db2.gz HAYPBGAQRACLJV-UHFFFAOYSA-N 1 2 373.478 2.607 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)CC2(C#N)CCOCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000597469280 520047771 /nfs/dbraw/zinc/04/77/71/520047771.db2.gz VRFMYLICSMHNIW-AEFFLSMTSA-N 1 2 363.408 2.537 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)CC2(C#N)CCOCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000597469280 520047780 /nfs/dbraw/zinc/04/77/80/520047780.db2.gz VRFMYLICSMHNIW-AEFFLSMTSA-N 1 2 363.408 2.537 20 30 FFEDLO CN(C)c1c(F)c(F)ccc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000600153288 520086655 /nfs/dbraw/zinc/08/66/55/520086655.db2.gz YAGCBVVYBAIMIJ-UHFFFAOYSA-N 1 2 357.408 2.620 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccnc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000603127636 520095467 /nfs/dbraw/zinc/09/54/67/520095467.db2.gz USJDMJZSCDPCED-IAGOWNOFSA-N 1 2 357.364 2.798 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccnc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000603127636 520095473 /nfs/dbraw/zinc/09/54/73/520095473.db2.gz USJDMJZSCDPCED-IAGOWNOFSA-N 1 2 357.364 2.798 20 30 FFEDLO N#CC[C@@]1(O)CCN(c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000591974605 520115814 /nfs/dbraw/zinc/11/58/14/520115814.db2.gz JPLDLLWQKCFEMW-OAHLLOKOSA-N 1 2 350.191 2.991 20 30 FFEDLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CC[C@](O)(CC#N)C1 ZINC000591976228 520116249 /nfs/dbraw/zinc/11/62/49/520116249.db2.gz MUMCAAQYPWDXGN-HXUWFJFHSA-N 1 2 353.422 2.883 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000608779649 520124348 /nfs/dbraw/zinc/12/43/48/520124348.db2.gz LURWJBMFJSNZNQ-UHFFFAOYSA-N 1 2 356.433 2.732 20 30 FFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000608812075 520135206 /nfs/dbraw/zinc/13/52/06/520135206.db2.gz HTDRUWPYKJXIRR-AWEZNQCLSA-N 1 2 350.378 2.745 20 30 FFEDLO N#CC(CCn1cc([C@@H]2COCC[NH2+]2)nn1)(c1ccccc1)c1ccccc1 ZINC000603177940 520139523 /nfs/dbraw/zinc/13/95/23/520139523.db2.gz HAZZJJUWDWXZEL-NRFANRHFSA-N 1 2 373.460 2.839 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000594767204 520146205 /nfs/dbraw/zinc/14/62/05/520146205.db2.gz MDLVEDOGWQFFGJ-ZDUSSCGKSA-N 1 2 372.475 2.571 20 30 FFEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC000609153937 520211025 /nfs/dbraw/zinc/21/10/25/520211025.db2.gz IJVVZHJKRIAKIW-INIZCTEOSA-N 1 2 367.424 2.982 20 30 FFEDLO C[C@@H](NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccc(Cl)cc1Cl ZINC000592149879 520226368 /nfs/dbraw/zinc/22/63/68/520226368.db2.gz YUXZMRSPHWFQAN-BDJLRTHQSA-N 1 2 356.253 2.521 20 30 FFEDLO C[C@@H](NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1ccc(Cl)cc1Cl ZINC000592149879 520226377 /nfs/dbraw/zinc/22/63/77/520226377.db2.gz YUXZMRSPHWFQAN-BDJLRTHQSA-N 1 2 356.253 2.521 20 30 FFEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000592156676 520231610 /nfs/dbraw/zinc/23/16/10/520231610.db2.gz PQMZPPHSSQYHFS-VMRPVKRXSA-N 1 2 370.424 2.899 20 30 FFEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000592156676 520231614 /nfs/dbraw/zinc/23/16/14/520231614.db2.gz PQMZPPHSSQYHFS-VMRPVKRXSA-N 1 2 370.424 2.899 20 30 FFEDLO CC(C)(C)OC(=O)C1(C)CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000592157058 520234206 /nfs/dbraw/zinc/23/42/06/520234206.db2.gz KERUWJUIJBQDNP-UHFFFAOYSA-N 1 2 357.454 2.941 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)C(C)(C)CO ZINC000597847777 520278143 /nfs/dbraw/zinc/27/81/43/520278143.db2.gz RSIRXYOJIOSWLR-FUHWJXTLSA-N 1 2 354.454 2.683 20 30 FFEDLO N#CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000595081835 520284682 /nfs/dbraw/zinc/28/46/82/520284682.db2.gz KKACFAVAVPUAQV-HNNXBMFYSA-N 1 2 364.405 2.965 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000609484309 520326913 /nfs/dbraw/zinc/32/69/13/520326913.db2.gz AHICNQXZSSKSBD-FRQCXROJSA-N 1 2 360.477 2.557 20 30 FFEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N[C@@H](C)c2ccccc2Cl)CC1 ZINC000609484833 520327742 /nfs/dbraw/zinc/32/77/42/520327742.db2.gz FZFTVVIXDWKSRA-YJBOKZPZSA-N 1 2 362.905 2.683 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccc[nH+]c2N2CCCC2)cc1 ZINC000597942624 520342490 /nfs/dbraw/zinc/34/24/90/520342490.db2.gz CLEJGJJZPMEISS-LJQANCHMSA-N 1 2 359.433 2.552 20 30 FFEDLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CCN([C@@H](C#N)C(C)C)CC2)cc1 ZINC000609538990 520350529 /nfs/dbraw/zinc/35/05/29/520350529.db2.gz POBVAHMLUWEGBN-UEXGIBASSA-N 1 2 370.541 2.980 20 30 FFEDLO Cc1cccc2[nH+]c(CN3CCN(c4oc(C5CC5)nc4C#N)CC3)cn21 ZINC000603876468 520388306 /nfs/dbraw/zinc/38/83/06/520388306.db2.gz UHAIHKQVTNJKQD-UHFFFAOYSA-N 1 2 362.437 2.702 20 30 FFEDLO Cc1ccccc1-n1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cn1 ZINC000592497574 520420077 /nfs/dbraw/zinc/42/00/77/520420077.db2.gz XEJRLCDUXFCFSY-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO N#Cc1cnn2cc(C[N@H+]3C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C3)cnc12 ZINC000592504028 520425171 /nfs/dbraw/zinc/42/51/71/520425171.db2.gz DVKZZVCOGPTVLW-PHIMTYICSA-N 1 2 363.265 2.774 20 30 FFEDLO N#Cc1cnn2cc(C[N@@H+]3C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C3)cnc12 ZINC000592504028 520425176 /nfs/dbraw/zinc/42/51/76/520425176.db2.gz DVKZZVCOGPTVLW-PHIMTYICSA-N 1 2 363.265 2.774 20 30 FFEDLO Cc1ccccc1-n1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)cn1 ZINC000592515233 520432490 /nfs/dbraw/zinc/43/24/90/520432490.db2.gz XJYHIOLSNOOLAV-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H](CC#N)C3)c[nH+]2)C[C@@H](C)O1 ZINC000595456030 520483717 /nfs/dbraw/zinc/48/37/17/520483717.db2.gz REHSRYXEQKMGFY-ZACQAIPSSA-N 1 2 371.485 2.530 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccnn3CC3CCC3)CC2)cc1 ZINC000600946560 520551458 /nfs/dbraw/zinc/55/14/58/520551458.db2.gz UOTLKJQAZHNGAC-UHFFFAOYSA-N 1 2 363.465 2.513 20 30 FFEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)NCC1(C#N)CCCCC1)CC2 ZINC000598311417 520551841 /nfs/dbraw/zinc/55/18/41/520551841.db2.gz WSOVOXALVCNWIF-UHFFFAOYSA-N 1 2 371.481 2.652 20 30 FFEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)NCC1(C#N)CCCCC1)CC2 ZINC000598311417 520551849 /nfs/dbraw/zinc/55/18/49/520551849.db2.gz WSOVOXALVCNWIF-UHFFFAOYSA-N 1 2 371.481 2.652 20 30 FFEDLO CCOC(=O)C1CC[NH+](Cc2cn(-c3ccc(Cl)cc3C#N)nn2)CC1 ZINC000600976606 520567834 /nfs/dbraw/zinc/56/78/34/520567834.db2.gz WBFHXCBGZGVWJW-UHFFFAOYSA-N 1 2 373.844 2.567 20 30 FFEDLO CCN1C[C@H](C[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)Oc2ccccc21 ZINC000610183919 520571820 /nfs/dbraw/zinc/57/18/20/520571820.db2.gz UAZFKBNCUHPWDV-SFHVURJKSA-N 1 2 364.449 2.716 20 30 FFEDLO CCN1C[C@H](C[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)Oc2ccccc21 ZINC000610183919 520571822 /nfs/dbraw/zinc/57/18/22/520571822.db2.gz UAZFKBNCUHPWDV-SFHVURJKSA-N 1 2 364.449 2.716 20 30 FFEDLO CC(C)(C)CN1CCC[C@@H]([NH+]2CCN(c3ccsc3C#N)CC2)C1=O ZINC000595629621 520605715 /nfs/dbraw/zinc/60/57/15/520605715.db2.gz GYXPSPJOAWEABV-MRXNPFEDSA-N 1 2 360.527 2.779 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632198 520609397 /nfs/dbraw/zinc/60/93/97/520609397.db2.gz BIUVFMVONCOCAR-OAGGEKHMSA-N 1 2 360.527 2.635 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000595660031 520629255 /nfs/dbraw/zinc/62/92/55/520629255.db2.gz QLWYKQNFNWJSET-CYBMUJFWSA-N 1 2 369.296 2.876 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595711526 520666933 /nfs/dbraw/zinc/66/69/33/520666933.db2.gz HWTMALBTTRBOMA-AWEZNQCLSA-N 1 2 354.479 2.929 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595711526 520666940 /nfs/dbraw/zinc/66/69/40/520666940.db2.gz HWTMALBTTRBOMA-AWEZNQCLSA-N 1 2 354.479 2.929 20 30 FFEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cscn1 ZINC000595747789 520695869 /nfs/dbraw/zinc/69/58/69/520695869.db2.gz GPBFWDINXBVZBL-AWEZNQCLSA-N 1 2 355.467 2.603 20 30 FFEDLO N#Cc1cccc(C2([NH2+]Cc3nc(-c4ccco4)no3)CCOCC2)c1 ZINC000595772548 520714881 /nfs/dbraw/zinc/71/48/81/520714881.db2.gz IDXWWISJISTRBJ-UHFFFAOYSA-N 1 2 350.378 2.997 20 30 FFEDLO CC[C@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1nnc2n1CCCCC2 ZINC000595805355 520736483 /nfs/dbraw/zinc/73/64/83/520736483.db2.gz PMIWHYSCBZWKFV-HNNXBMFYSA-N 1 2 370.457 2.765 20 30 FFEDLO C[C@]1(C#N)CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1 ZINC000595836538 520757849 /nfs/dbraw/zinc/75/78/49/520757849.db2.gz ZMBCNBZNVVOBSD-DYESRHJHSA-N 1 2 369.465 2.747 20 30 FFEDLO C[C@]1(C#N)CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1 ZINC000595836538 520757857 /nfs/dbraw/zinc/75/78/57/520757857.db2.gz ZMBCNBZNVVOBSD-DYESRHJHSA-N 1 2 369.465 2.747 20 30 FFEDLO CC[C@@H](Cc1ccccc1Br)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593154485 520785212 /nfs/dbraw/zinc/78/52/12/520785212.db2.gz WLDJDANCQMEOFI-GUYCJALGSA-N 1 2 366.303 2.978 20 30 FFEDLO COc1ccc(-c2nc(C)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)s2)cc1 ZINC000593155708 520785556 /nfs/dbraw/zinc/78/55/56/520785556.db2.gz UYYWENYRLZJMDN-GOSISDBHSA-N 1 2 358.467 2.701 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595888709 520795631 /nfs/dbraw/zinc/79/56/31/520795631.db2.gz FQNIBDJHDHZSGD-FRFSOERESA-N 1 2 372.387 2.534 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595888709 520795638 /nfs/dbraw/zinc/79/56/38/520795638.db2.gz FQNIBDJHDHZSGD-FRFSOERESA-N 1 2 372.387 2.534 20 30 FFEDLO CCN1CC[NH+](Cc2ccc(NC(=O)c3cc(O)cc(C#N)c3)cc2)CC1 ZINC000614295303 520894940 /nfs/dbraw/zinc/89/49/40/520894940.db2.gz LHWZPPKYWIJCRH-UHFFFAOYSA-N 1 2 364.449 2.654 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1F ZINC000596109380 520917438 /nfs/dbraw/zinc/91/74/38/520917438.db2.gz OJOLOUGQCCAMNQ-YOEHRIQHSA-N 1 2 355.417 2.984 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1F ZINC000596109378 520918169 /nfs/dbraw/zinc/91/81/69/520918169.db2.gz OJOLOUGQCCAMNQ-RHSMWYFYSA-N 1 2 355.417 2.984 20 30 FFEDLO Cc1cc(C#N)ccc1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000610968569 520922977 /nfs/dbraw/zinc/92/29/77/520922977.db2.gz NJPGMTFHHOCWQD-UHFFFAOYSA-N 1 2 362.433 2.507 20 30 FFEDLO C[C@@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000596140097 520934206 /nfs/dbraw/zinc/93/42/06/520934206.db2.gz BNBNZEHWBDOERV-DOMZBBRYSA-N 1 2 362.886 2.791 20 30 FFEDLO C[C@@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000596140097 520934221 /nfs/dbraw/zinc/93/42/21/520934221.db2.gz BNBNZEHWBDOERV-DOMZBBRYSA-N 1 2 362.886 2.791 20 30 FFEDLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2cc(C#N)cnn2)CC1 ZINC000596138479 520934549 /nfs/dbraw/zinc/93/45/49/520934549.db2.gz WSDZAONMFROTTD-CYBMUJFWSA-N 1 2 372.270 2.994 20 30 FFEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)[nH]1 ZINC000611028435 520954420 /nfs/dbraw/zinc/95/44/20/520954420.db2.gz DXDJQWUQIWVTPW-UHFFFAOYSA-N 1 2 362.355 2.863 20 30 FFEDLO N#Cc1ccccc1CSCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593388488 520959448 /nfs/dbraw/zinc/95/94/48/520959448.db2.gz JDFMWLCFPFYXMV-UHFFFAOYSA-N 1 2 354.479 2.683 20 30 FFEDLO CC(C)(O)C1CCC(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000593389903 520960616 /nfs/dbraw/zinc/96/06/16/520960616.db2.gz XAZUOQRDOMDTIE-UHFFFAOYSA-N 1 2 369.509 2.780 20 30 FFEDLO COC(=O)c1cccc(C[N@H+](C)Cc2ccc(OC)c(OC)c2)c1C#N ZINC000611126450 520997492 /nfs/dbraw/zinc/99/74/92/520997492.db2.gz HMZLYPABLMXDQE-UHFFFAOYSA-N 1 2 354.406 2.994 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2ccc(OC)c(OC)c2)c1C#N ZINC000611126450 520997498 /nfs/dbraw/zinc/99/74/98/520997498.db2.gz HMZLYPABLMXDQE-UHFFFAOYSA-N 1 2 354.406 2.994 20 30 FFEDLO N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000593451576 521000092 /nfs/dbraw/zinc/00/00/92/521000092.db2.gz MANVHKNZOCMZMC-MRXNPFEDSA-N 1 2 373.254 2.923 20 30 FFEDLO Cn1ncc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C(F)F ZINC000611162964 521017216 /nfs/dbraw/zinc/01/72/16/521017216.db2.gz FONXQUFOKYRUDV-UHFFFAOYSA-N 1 2 374.395 2.579 20 30 FFEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000614546176 521021772 /nfs/dbraw/zinc/02/17/72/521021772.db2.gz SQHMYHDCNFRPJC-KRWDZBQOSA-N 1 2 354.454 2.538 20 30 FFEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(Cn3cncn3)CC2)c1C#N ZINC000614588341 521036827 /nfs/dbraw/zinc/03/68/27/521036827.db2.gz MDCVAIDMGVQZNU-UHFFFAOYSA-N 1 2 361.453 2.556 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601975131 521050976 /nfs/dbraw/zinc/05/09/76/521050976.db2.gz LSNRDYJAJGHVDX-IINYFYTJSA-N 1 2 357.788 2.895 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601975131 521050981 /nfs/dbraw/zinc/05/09/81/521050981.db2.gz LSNRDYJAJGHVDX-IINYFYTJSA-N 1 2 357.788 2.895 20 30 FFEDLO N#Cc1c(F)cccc1C[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000602009869 521074977 /nfs/dbraw/zinc/07/49/77/521074977.db2.gz YIHQYLZXZVXNFC-GOSISDBHSA-N 1 2 367.424 2.896 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N(CCC#N)Cc2cccnc2)cc1 ZINC000602083984 521132899 /nfs/dbraw/zinc/13/28/99/521132899.db2.gz GVQDDHBZTHZGHX-HXUWFJFHSA-N 1 2 364.449 2.607 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N(CCC#N)Cc2cccnc2)cc1 ZINC000602083984 521132908 /nfs/dbraw/zinc/13/29/08/521132908.db2.gz GVQDDHBZTHZGHX-HXUWFJFHSA-N 1 2 364.449 2.607 20 30 FFEDLO Cc1nc(C2([NH2+]C[C@@H](O)COc3ccccc3C#N)CCCCCC2)no1 ZINC000599321333 521149104 /nfs/dbraw/zinc/14/91/04/521149104.db2.gz YSUQBEXSCAVNEL-QGZVFWFLSA-N 1 2 370.453 2.829 20 30 FFEDLO Cn1ncc2c1CC(C)(C)C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C2 ZINC000596597541 521155096 /nfs/dbraw/zinc/15/50/96/521155096.db2.gz BFLKGQZIQLJRIC-UHFFFAOYSA-N 1 2 371.872 2.968 20 30 FFEDLO Cn1ncc2c1CC(C)(C)C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C2 ZINC000596597541 521155104 /nfs/dbraw/zinc/15/51/04/521155104.db2.gz BFLKGQZIQLJRIC-UHFFFAOYSA-N 1 2 371.872 2.968 20 30 FFEDLO CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552020 521215618 /nfs/dbraw/zinc/21/56/18/521215618.db2.gz ZSNIVPDNUSWZCL-PXNSSMCTSA-N 1 2 374.504 2.901 20 30 FFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCc2[nH+]c[nH]c2C1 ZINC000599428484 521216642 /nfs/dbraw/zinc/21/66/42/521216642.db2.gz ARHURRHVATUDJV-GFCCVEGCSA-N 1 2 369.494 2.997 20 30 FFEDLO CCOC(=O)[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C1CCCCCC1 ZINC000599454392 521238230 /nfs/dbraw/zinc/23/82/30/521238230.db2.gz MNIWVYXROVPOFX-ROUUACIJSA-N 1 2 366.502 2.549 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000611622511 521253847 /nfs/dbraw/zinc/25/38/47/521253847.db2.gz SFEOTHUACVZYBJ-IBGZPJMESA-N 1 2 355.463 2.965 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000611622511 521253856 /nfs/dbraw/zinc/25/38/56/521253856.db2.gz SFEOTHUACVZYBJ-IBGZPJMESA-N 1 2 355.463 2.965 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1C#N ZINC000596802468 521294270 /nfs/dbraw/zinc/29/42/70/521294270.db2.gz XVQLOZXJSIPSEB-GJZGRUSLSA-N 1 2 360.458 2.576 20 30 FFEDLO CC(C)Oc1ccc(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc1C#N ZINC000596802468 521294275 /nfs/dbraw/zinc/29/42/75/521294275.db2.gz XVQLOZXJSIPSEB-GJZGRUSLSA-N 1 2 360.458 2.576 20 30 FFEDLO CCOC(=O)[C@@H](CC(C)C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611800292 521339493 /nfs/dbraw/zinc/33/94/93/521339493.db2.gz VJEJZZRUQUKDRF-MOPGFXCFSA-N 1 2 361.461 2.986 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)NCCCOC1CCCCC1)C2 ZINC000599678677 521395072 /nfs/dbraw/zinc/39/50/72/521395072.db2.gz KYWGQXYRNOXDCI-UHFFFAOYSA-N 1 2 369.509 2.966 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)NCCCOC1CCCCC1)C2 ZINC000599678677 521395080 /nfs/dbraw/zinc/39/50/80/521395080.db2.gz KYWGQXYRNOXDCI-UHFFFAOYSA-N 1 2 369.509 2.966 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000599688652 521403340 /nfs/dbraw/zinc/40/33/40/521403340.db2.gz LELZTQAJETXXGC-DABQJJPHSA-N 1 2 363.845 2.812 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000599688652 521403349 /nfs/dbraw/zinc/40/33/49/521403349.db2.gz LELZTQAJETXXGC-DABQJJPHSA-N 1 2 363.845 2.812 20 30 FFEDLO CN1CCO[C@@H]([C@H]([NH2+]Cc2cccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000602579245 521421671 /nfs/dbraw/zinc/42/16/71/521421671.db2.gz IJLQRBGPNGAVCJ-RTBURBONSA-N 1 2 356.857 2.768 20 30 FFEDLO C[N@@H+]1CCO[C@@H]([C@H](NCc2cccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000602579245 521421682 /nfs/dbraw/zinc/42/16/82/521421682.db2.gz IJLQRBGPNGAVCJ-RTBURBONSA-N 1 2 356.857 2.768 20 30 FFEDLO C[N@H+]1CCO[C@@H]([C@H](NCc2cccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000602579245 521421688 /nfs/dbraw/zinc/42/16/88/521421688.db2.gz IJLQRBGPNGAVCJ-RTBURBONSA-N 1 2 356.857 2.768 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Br)c1 ZINC000597035452 521459946 /nfs/dbraw/zinc/45/99/46/521459946.db2.gz ANDBGLXDIYCMIJ-ABAIWWIYSA-N 1 2 359.227 2.658 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(Br)c1 ZINC000597035452 521459954 /nfs/dbraw/zinc/45/99/54/521459954.db2.gz ANDBGLXDIYCMIJ-ABAIWWIYSA-N 1 2 359.227 2.658 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)c(Cl)cc1O ZINC000602671834 521471891 /nfs/dbraw/zinc/47/18/91/521471891.db2.gz KGLWCRHFPFALLJ-UHFFFAOYSA-N 1 2 358.829 2.643 20 30 FFEDLO CCOC(=O)[C@@]1(NCc2c[nH+]c3ccc(C#N)cn23)CCc2ccccc21 ZINC000602729306 521500549 /nfs/dbraw/zinc/50/05/49/521500549.db2.gz NYVUDGCKRPZEGD-OAQYLSRUSA-N 1 2 360.417 2.700 20 30 FFEDLO CCOC(=O)c1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)[nH]c1C ZINC000597184431 521563125 /nfs/dbraw/zinc/56/31/25/521563125.db2.gz WILLJRGNXFBMAX-UHFFFAOYSA-N 1 2 358.467 2.755 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1Br ZINC000597228708 521586078 /nfs/dbraw/zinc/58/60/78/521586078.db2.gz FWNZLGOBCGXZJO-IAQYHMDHSA-N 1 2 359.227 2.589 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@](C)(C#N)C1)c1ccc(F)cc1 ZINC000612357704 521590512 /nfs/dbraw/zinc/59/05/12/521590512.db2.gz NBCBJRNVOUBWDG-APWZRJJASA-N 1 2 355.417 2.984 20 30 FFEDLO N#Cc1c(C#N)c2c(nc1N[C@@H]1CCN(c3cccc[nH+]3)C1)CCCCCC2 ZINC000619486612 521594024 /nfs/dbraw/zinc/59/40/24/521594024.db2.gz JLKGUPOETCONIY-MRXNPFEDSA-N 1 2 372.476 2.992 20 30 FFEDLO C=CCC[C@@H](O)C[N@@H+]1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 ZINC000626085063 521914335 /nfs/dbraw/zinc/91/43/35/521914335.db2.gz YUAXCFGMEVRUPJ-MRXNPFEDSA-N 1 2 356.388 2.677 20 30 FFEDLO C=CCC[C@@H](O)C[N@H+]1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 ZINC000626085063 521914344 /nfs/dbraw/zinc/91/43/44/521914344.db2.gz YUAXCFGMEVRUPJ-MRXNPFEDSA-N 1 2 356.388 2.677 20 30 FFEDLO C=CCOc1c(Cl)cc(C[NH2+]Cc2nnnn2CC2CC2)cc1OC ZINC000623495224 522067588 /nfs/dbraw/zinc/06/75/88/522067588.db2.gz VYIRSZDYOABQOM-UHFFFAOYSA-N 1 2 363.849 2.600 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+](C)[C@H](C)CS(C)(=O)=O)cc1OC ZINC000628174377 523401307 /nfs/dbraw/zinc/40/13/07/523401307.db2.gz HICDGRZDHWVWRZ-GFCCVEGCSA-N 1 2 361.891 2.778 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+](C)[C@H](C)CS(C)(=O)=O)cc1OC ZINC000628174377 523401315 /nfs/dbraw/zinc/40/13/15/523401315.db2.gz HICDGRZDHWVWRZ-GFCCVEGCSA-N 1 2 361.891 2.778 20 30 FFEDLO N#Cc1c(F)cccc1N1CCC[C@H](c2n[nH]cc2C[NH+]2CCOCC2)C1 ZINC000275517069 526522766 /nfs/dbraw/zinc/52/27/66/526522766.db2.gz DOSJAFXZWZTHEY-HNNXBMFYSA-N 1 2 369.444 2.637 20 30 FFEDLO CNC(=O)[C@]1(C)CCN(C(=O)c2c3ccccc3nc3c2C[N@H+](C)CC3)C1 ZINC000330362432 568532455 /nfs/dbraw/zinc/53/24/55/568532455.db2.gz ZNHXCAKUVUFNBQ-OAQYLSRUSA-N 1 2 366.465 2.661 20 30 FFEDLO CNC(=O)[C@]1(C)CCN(C(=O)c2c3ccccc3nc3c2C[N@@H+](C)CC3)C1 ZINC000330362432 568532456 /nfs/dbraw/zinc/53/24/56/568532456.db2.gz ZNHXCAKUVUFNBQ-OAQYLSRUSA-N 1 2 366.465 2.661 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC000736300525 600597621 /nfs/dbraw/zinc/59/76/21/600597621.db2.gz ZZINHJWEMMJQJE-QAPCUYQASA-N 1 2 352.438 2.783 20 30 FFEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCC(=O)NCCc1ccc(F)cc1 ZINC000106067440 728509604 /nfs/dbraw/zinc/50/96/04/728509604.db2.gz DVLXTFLNLDXYFW-UHFFFAOYSA-N 1 2 363.820 2.669 20 30 FFEDLO C=C(Br)CN[C@]1(C(=O)OC)CCC[N@H+](Cc2ccccc2)C1 ZINC000121099926 728620649 /nfs/dbraw/zinc/62/06/49/728620649.db2.gz IDLCEDUNZULSSD-QGZVFWFLSA-N 1 2 367.287 2.692 20 30 FFEDLO C=C(Br)CN[C@]1(C(=O)OC)CCC[N@@H+](Cc2ccccc2)C1 ZINC000121099926 728620651 /nfs/dbraw/zinc/62/06/51/728620651.db2.gz IDLCEDUNZULSSD-QGZVFWFLSA-N 1 2 367.287 2.692 20 30 FFEDLO C=CCCS(=O)(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000125960670 728690422 /nfs/dbraw/zinc/69/04/22/728690422.db2.gz ZUULHFWMCDPVED-APWZRJJASA-N 1 2 365.543 2.828 20 30 FFEDLO C=CCCS(=O)(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000125960670 728690423 /nfs/dbraw/zinc/69/04/23/728690423.db2.gz ZUULHFWMCDPVED-APWZRJJASA-N 1 2 365.543 2.828 20 30 FFEDLO CCc1nc(CN2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)cs1 ZINC000135175989 728736177 /nfs/dbraw/zinc/73/61/77/728736177.db2.gz WTKRZEAXAHMCJL-UHFFFAOYSA-N 1 2 356.495 2.904 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000329602613 729798076 /nfs/dbraw/zinc/79/80/76/729798076.db2.gz KYPCACYFVOOMKN-PBHICJAKSA-N 1 2 360.845 2.908 20 30 FFEDLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNC1=[NH+]C[C@H](C)N1 ZINC000779798552 738485221 /nfs/dbraw/zinc/48/52/21/738485221.db2.gz PCLDPWFZHBLDKY-VIFPVBQESA-N 1 2 351.241 2.759 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000652113068 731167158 /nfs/dbraw/zinc/16/71/58/731167158.db2.gz OQNPYQSIHYCWPM-CFVMTHIKSA-N 1 2 350.488 2.840 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000652113068 731167161 /nfs/dbraw/zinc/16/71/61/731167161.db2.gz OQNPYQSIHYCWPM-CFVMTHIKSA-N 1 2 350.488 2.840 20 30 FFEDLO C=CCOCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000660968505 732158488 /nfs/dbraw/zinc/15/84/88/732158488.db2.gz PIBPKTDINFKDKS-IRXDYDNUSA-N 1 2 353.413 2.602 20 30 FFEDLO C=CCOCCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000660968505 732158489 /nfs/dbraw/zinc/15/84/89/732158489.db2.gz PIBPKTDINFKDKS-IRXDYDNUSA-N 1 2 353.413 2.602 20 30 FFEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNc1cccc[nH+]1 ZINC000878081283 732479227 /nfs/dbraw/zinc/47/92/27/732479227.db2.gz IOEISVRCIKSTLW-CYBMUJFWSA-N 1 2 368.865 2.646 20 30 FFEDLO C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000667017199 732930638 /nfs/dbraw/zinc/93/06/38/732930638.db2.gz KZUJRAFODAUTSH-CJNGLKHVSA-N 1 2 364.515 2.784 20 30 FFEDLO C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000667017199 732930641 /nfs/dbraw/zinc/93/06/41/732930641.db2.gz KZUJRAFODAUTSH-CJNGLKHVSA-N 1 2 364.515 2.784 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000884055047 733473249 /nfs/dbraw/zinc/47/32/49/733473249.db2.gz AINRMAHSDIKAFU-SDBXPKJASA-N 1 2 363.216 2.756 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000884074961 733475570 /nfs/dbraw/zinc/47/55/70/733475570.db2.gz ICVFCYJOIFHGMI-LRDDRELGSA-N 1 2 350.846 2.839 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000884167945 733489499 /nfs/dbraw/zinc/48/94/99/733489499.db2.gz SJMPDAAJWPZTLN-HOCLYGCPSA-N 1 2 354.397 2.615 20 30 FFEDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2C[C@@H](O)CC2(C#N)CCC2)n1 ZINC000886167845 733756321 /nfs/dbraw/zinc/75/63/21/733756321.db2.gz BLQZMDWKFIFWQI-DZGCQCFKSA-N 1 2 363.483 2.902 20 30 FFEDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2C[C@@H](O)CC2(C#N)CCC2)n1 ZINC000886167845 733756322 /nfs/dbraw/zinc/75/63/22/733756322.db2.gz BLQZMDWKFIFWQI-DZGCQCFKSA-N 1 2 363.483 2.902 20 30 FFEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000886768455 733829341 /nfs/dbraw/zinc/82/93/41/733829341.db2.gz AWRBHCPRAWJPHI-UHFFFAOYSA-N 1 2 371.250 2.930 20 30 FFEDLO CN(C(=O)CO[NH+]=C(N)c1ccc(Br)cc1)c1ccccc1 ZINC000782948113 738767087 /nfs/dbraw/zinc/76/70/87/738767087.db2.gz HEVYRASEYLAHOE-UHFFFAOYSA-N 1 2 362.227 2.749 20 30 FFEDLO COCC#CC[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000677819846 733968245 /nfs/dbraw/zinc/96/82/45/733968245.db2.gz BTLVXNBVGOQDOC-HNNXBMFYSA-N 1 2 351.288 2.778 20 30 FFEDLO COC[C@H](C)N=c1scc(C)n1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783741669 738831527 /nfs/dbraw/zinc/83/15/27/738831527.db2.gz PXVDYHPNMKIAJZ-LBPRGKRZSA-N 1 2 361.496 2.923 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000733200979 734797602 /nfs/dbraw/zinc/79/76/02/734797602.db2.gz NIVCAWQOJPLJKT-IYBDPMFKSA-N 1 2 351.491 2.517 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000733200979 734797606 /nfs/dbraw/zinc/79/76/06/734797606.db2.gz NIVCAWQOJPLJKT-IYBDPMFKSA-N 1 2 351.491 2.517 20 30 FFEDLO C=CCCC[N@@H+](CC)Cn1nc2n(c1=S)c1ccccc1c(=O)n2C ZINC000902670147 735979292 /nfs/dbraw/zinc/97/92/92/735979292.db2.gz YFDHZIKOUYDEMD-UHFFFAOYSA-N 1 2 357.483 2.963 20 30 FFEDLO C=CCCC[N@H+](CC)Cn1nc2n(c1=S)c1ccccc1c(=O)n2C ZINC000902670147 735979295 /nfs/dbraw/zinc/97/92/95/735979295.db2.gz YFDHZIKOUYDEMD-UHFFFAOYSA-N 1 2 357.483 2.963 20 30 FFEDLO Cc1ccc2[nH+]cc(CN=Nc3nc(Br)cn4ccnc34)n2c1 ZINC000755759298 736276762 /nfs/dbraw/zinc/27/67/62/736276762.db2.gz WNAXGDMFVUEESN-UHFFFAOYSA-N 1 2 370.214 2.894 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3cccc(Br)c3O)CC2)n1 ZINC000761228228 736710061 /nfs/dbraw/zinc/71/00/61/736710061.db2.gz JZPBLSFURWKZCB-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000929148366 738948438 /nfs/dbraw/zinc/94/84/38/738948438.db2.gz BHXMASNZDFCGJY-GJZGRUSLSA-N 1 2 354.376 2.575 20 30 FFEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000914237036 737535698 /nfs/dbraw/zinc/53/56/98/737535698.db2.gz LQGQRTDAHIRHQH-MRXNPFEDSA-N 1 2 358.467 2.608 20 30 FFEDLO CCn1c[nH+]cc1[C@@H]1CCCCN1S(=O)(=O)Cc1csc(C#N)c1 ZINC000915730642 737651875 /nfs/dbraw/zinc/65/18/75/737651875.db2.gz CVGJJJBOPXFYCB-HNNXBMFYSA-N 1 2 364.496 2.893 20 30 FFEDLO Cc1cc(Br)cc(CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000774813743 738029279 /nfs/dbraw/zinc/02/92/79/738029279.db2.gz GQYHFTXMYUYBHR-UHFFFAOYSA-N 1 2 366.303 2.805 20 30 FFEDLO C[NH+]1CCN(c2ccc(Nc3ccc(C#N)nn3)cc2Br)CC1 ZINC000786827956 739080257 /nfs/dbraw/zinc/08/02/57/739080257.db2.gz SZKZXBRAHNEREX-UHFFFAOYSA-N 1 2 373.258 2.606 20 30 FFEDLO N#Cc1ncc(Br)cc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000787897143 739185495 /nfs/dbraw/zinc/18/54/95/739185495.db2.gz UYMKOPVCAJGUNS-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO N#Cc1ccsc1NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000931834451 739337990 /nfs/dbraw/zinc/33/79/90/739337990.db2.gz NFRAXHWVCJWXFY-UHFFFAOYSA-N 1 2 359.480 2.890 20 30 FFEDLO CC1CC[NH+](Cc2csc(NC(=O)CN3CCC[C@@H](C#N)C3)n2)CC1 ZINC000932155025 739396379 /nfs/dbraw/zinc/39/63/79/739396379.db2.gz VLRMSRFAYKRAOC-HNNXBMFYSA-N 1 2 361.515 2.549 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000932825662 739526385 /nfs/dbraw/zinc/52/63/85/739526385.db2.gz CIAHTOOUIFMPMM-GFCCVEGCSA-N 1 2 355.360 2.522 20 30 FFEDLO CCCNC(=O)C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932942205 739541265 /nfs/dbraw/zinc/54/12/65/739541265.db2.gz GCGMRYUOUFZKCL-YUMQZZPRSA-N 1 2 368.268 2.615 20 30 FFEDLO C[N@H+](CC(=O)NCc1ccc(OC(F)F)cc1)Cc1cc(C#N)cs1 ZINC000933776419 739688971 /nfs/dbraw/zinc/68/89/71/739688971.db2.gz XWEVWNPJCCMZLL-UHFFFAOYSA-N 1 2 365.405 2.969 20 30 FFEDLO C[N@@H+](CC(=O)NCc1ccc(OC(F)F)cc1)Cc1cc(C#N)cs1 ZINC000933776419 739688976 /nfs/dbraw/zinc/68/89/76/739688976.db2.gz XWEVWNPJCCMZLL-UHFFFAOYSA-N 1 2 365.405 2.969 20 30 FFEDLO CC(=[NH+]Nc1ccccc1S(=O)(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000793182677 739749373 /nfs/dbraw/zinc/74/93/73/739749373.db2.gz MAIYGLAUAYLXQS-UHFFFAOYSA-N 1 2 360.483 2.839 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@](C)(CO)c2cccc(Br)c2)nn1 ZINC000934496722 739793965 /nfs/dbraw/zinc/79/39/65/739793965.db2.gz YQHNRVBGUJGNLX-MRXNPFEDSA-N 1 2 365.275 2.614 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000798274777 740318901 /nfs/dbraw/zinc/31/89/01/740318901.db2.gz KJMBBALCXHAFTC-OCCSQVGLSA-N 1 2 351.834 2.894 20 30 FFEDLO CCCCCCCS(=O)(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000799766646 740449024 /nfs/dbraw/zinc/44/90/24/740449024.db2.gz PQZKAKTVAQKYGJ-OKZBNKHCSA-N 1 2 360.564 2.860 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nccs1 ZINC000960915121 740628270 /nfs/dbraw/zinc/62/82/70/740628270.db2.gz XDJTVUJDTSCARC-RYRKJORJSA-N 1 2 363.527 2.937 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nccs1 ZINC000960915121 740628272 /nfs/dbraw/zinc/62/82/72/740628272.db2.gz XDJTVUJDTSCARC-RYRKJORJSA-N 1 2 363.527 2.937 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2nc(C)sc2C)C1 ZINC000969692899 740737364 /nfs/dbraw/zinc/73/73/64/740737364.db2.gz QZZRGXDDLSNYSV-NJAPINKUSA-N 1 2 363.527 2.678 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cnc(Cl)s2)C1 ZINC000971555818 740787249 /nfs/dbraw/zinc/78/72/49/740787249.db2.gz KQDDYZKOQKZAOD-YUELXQCFSA-N 1 2 369.918 2.810 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cnc(Cl)s2)C1 ZINC000971555818 740787251 /nfs/dbraw/zinc/78/72/51/740787251.db2.gz KQDDYZKOQKZAOD-YUELXQCFSA-N 1 2 369.918 2.810 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)sc2C)C1 ZINC000971559596 740787691 /nfs/dbraw/zinc/78/76/91/740787691.db2.gz WSFWKCADBYKBLB-NUJGCVRESA-N 1 2 363.527 2.774 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)sc2C)C1 ZINC000971559596 740787693 /nfs/dbraw/zinc/78/76/93/740787693.db2.gz WSFWKCADBYKBLB-NUJGCVRESA-N 1 2 363.527 2.774 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2ncc(C)s2)CC1(C)C ZINC000974587828 740884163 /nfs/dbraw/zinc/88/41/63/740884163.db2.gz MYTSBALSGMNRLV-PMPSAXMXSA-N 1 2 363.527 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2ncc(C)s2)CC1(C)C ZINC000974587828 740884166 /nfs/dbraw/zinc/88/41/66/740884166.db2.gz MYTSBALSGMNRLV-PMPSAXMXSA-N 1 2 363.527 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2csc(C)n2)CC1(C)C ZINC000974599098 740885396 /nfs/dbraw/zinc/88/53/96/740885396.db2.gz XDLCXIKXCLKFOK-IKGGRYGDSA-N 1 2 363.527 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2csc(C)n2)CC1(C)C ZINC000974599098 740885400 /nfs/dbraw/zinc/88/54/00/740885400.db2.gz XDLCXIKXCLKFOK-IKGGRYGDSA-N 1 2 363.527 2.759 20 30 FFEDLO C#C[C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000805137966 740944492 /nfs/dbraw/zinc/94/44/92/740944492.db2.gz WFIOFGPWGIPFNM-AHIWAGSCSA-N 1 2 367.852 2.562 20 30 FFEDLO C#Cc1ccc(C[NH+]2CCN(c3ncc(C(=O)OCC)s3)CC2)cc1 ZINC000809587513 741319382 /nfs/dbraw/zinc/31/93/82/741319382.db2.gz PRHFONZLPMAGLV-UHFFFAOYSA-N 1 2 355.463 2.623 20 30 FFEDLO Cc1nsc(N2CC[NH+](C[C@H](O)c3ccc(Cl)cc3)CC2)c1C#N ZINC000810065120 741379920 /nfs/dbraw/zinc/37/99/20/741379920.db2.gz IQDRBJIKFGOHEF-INIZCTEOSA-N 1 2 362.886 2.832 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001002849358 742175501 /nfs/dbraw/zinc/17/55/01/742175501.db2.gz RNFZFQNEEGOSPP-CABCVRRESA-N 1 2 369.918 2.858 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(N2CCSCC2)c(Cl)c1 ZINC000819439384 742391103 /nfs/dbraw/zinc/39/11/03/742391103.db2.gz SCDRFAPERYJVOS-HNNXBMFYSA-N 1 2 368.934 2.511 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(N2CCSCC2)c(Cl)c1 ZINC000819439384 742391110 /nfs/dbraw/zinc/39/11/10/742391110.db2.gz SCDRFAPERYJVOS-HNNXBMFYSA-N 1 2 368.934 2.511 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc(C)c(C)s2)C1 ZINC001015816097 742481689 /nfs/dbraw/zinc/48/16/89/742481689.db2.gz HHVQKUNOWDVYSU-BQFCYCMXSA-N 1 2 363.527 2.822 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)c(C)s2)C1 ZINC001015816097 742481694 /nfs/dbraw/zinc/48/16/94/742481694.db2.gz HHVQKUNOWDVYSU-BQFCYCMXSA-N 1 2 363.527 2.822 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ncc(C)s1 ZINC001024443387 742725819 /nfs/dbraw/zinc/72/58/19/742725819.db2.gz HYSUFTPUPBFYTB-ZACQAIPSSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ncc(C)s1 ZINC001024443387 742725821 /nfs/dbraw/zinc/72/58/21/742725821.db2.gz HYSUFTPUPBFYTB-ZACQAIPSSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001027501214 742772722 /nfs/dbraw/zinc/77/27/22/742772722.db2.gz UWINWSLQZBJZJG-KFWWJZLASA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001027501214 742772728 /nfs/dbraw/zinc/77/27/28/742772728.db2.gz UWINWSLQZBJZJG-KFWWJZLASA-N 1 2 359.308 2.633 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001028197760 742790677 /nfs/dbraw/zinc/79/06/77/742790677.db2.gz QRFBORIHMFUWQF-RYRKJORJSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001028197760 742790680 /nfs/dbraw/zinc/79/06/80/742790680.db2.gz QRFBORIHMFUWQF-RYRKJORJSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)ns1 ZINC001029312029 742808760 /nfs/dbraw/zinc/80/87/60/742808760.db2.gz NICMQJTYBOPHLD-ATLSCFEFSA-N 1 2 361.511 2.608 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)ns1 ZINC001029312029 742808763 /nfs/dbraw/zinc/80/87/63/742808763.db2.gz NICMQJTYBOPHLD-ATLSCFEFSA-N 1 2 361.511 2.608 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2sccc2Cl)C1 ZINC001032047296 742858551 /nfs/dbraw/zinc/85/85/51/742858551.db2.gz VUFWXNHIVXWBCL-BBRMVZONSA-N 1 2 354.903 2.931 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001033433357 742887309 /nfs/dbraw/zinc/88/73/09/742887309.db2.gz VINBMMBWFDQWEK-LBTNJELSSA-N 1 2 350.409 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001033433357 742887319 /nfs/dbraw/zinc/88/73/19/742887319.db2.gz VINBMMBWFDQWEK-LBTNJELSSA-N 1 2 350.409 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001033953285 742906315 /nfs/dbraw/zinc/90/63/15/742906315.db2.gz BAESUVCDNPOREQ-NUJGCVRESA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001033953285 742906323 /nfs/dbraw/zinc/90/63/23/742906323.db2.gz BAESUVCDNPOREQ-NUJGCVRESA-N 1 2 363.889 2.749 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cscn2)C1 ZINC001034436638 742925886 /nfs/dbraw/zinc/92/58/86/742925886.db2.gz NNINWJFWTRYUHD-SZMVWBNQSA-N 1 2 363.527 2.985 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cscn2)C1 ZINC001034436638 742925896 /nfs/dbraw/zinc/92/58/96/742925896.db2.gz NNINWJFWTRYUHD-SZMVWBNQSA-N 1 2 363.527 2.985 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2nccs2)C1 ZINC001034436146 742926445 /nfs/dbraw/zinc/92/64/45/742926445.db2.gz LCIPGMWPXSEIRS-BQFCYCMXSA-N 1 2 363.527 2.985 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2nccs2)C1 ZINC001034436146 742926449 /nfs/dbraw/zinc/92/64/49/742926449.db2.gz LCIPGMWPXSEIRS-BQFCYCMXSA-N 1 2 363.527 2.985 20 30 FFEDLO C=CC[N@@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000824606441 743115381 /nfs/dbraw/zinc/11/53/81/743115381.db2.gz UEQIWKBRINETCZ-HNNXBMFYSA-N 1 2 367.511 2.873 20 30 FFEDLO C=CC[N@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000824606441 743115385 /nfs/dbraw/zinc/11/53/85/743115385.db2.gz UEQIWKBRINETCZ-HNNXBMFYSA-N 1 2 367.511 2.873 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001046320182 743317105 /nfs/dbraw/zinc/31/71/05/743317105.db2.gz PYUIFUREGPEKIT-JTDSTZFVSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001046320182 743317117 /nfs/dbraw/zinc/31/71/17/743317117.db2.gz PYUIFUREGPEKIT-JTDSTZFVSA-N 1 2 363.889 2.797 20 30 FFEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000830579245 745387131 /nfs/dbraw/zinc/38/71/31/745387131.db2.gz XQQHEGKGOLHGFW-CQSZACIVSA-N 1 2 353.369 2.822 20 30 FFEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000830579245 745387135 /nfs/dbraw/zinc/38/71/35/745387135.db2.gz XQQHEGKGOLHGFW-CQSZACIVSA-N 1 2 353.369 2.822 20 30 FFEDLO Nc1ccc2c(n1)CCCC2=[NH+]Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000834951637 745927642 /nfs/dbraw/zinc/92/76/42/745927642.db2.gz BTJPXTHJCBQRAR-UHFFFAOYSA-N 1 2 366.393 2.813 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(Br)c(C#N)c1)[NH+]1CCSCC1 ZINC000839387692 746820786 /nfs/dbraw/zinc/82/07/86/746820786.db2.gz AUJXBNUTCFWELJ-JTQLQIEISA-N 1 2 354.273 2.697 20 30 FFEDLO N#CC1CC[NH+](CN2CC[C@@H](c3cccc(Br)c3)C2=O)CC1 ZINC000839980842 746972682 /nfs/dbraw/zinc/97/26/82/746972682.db2.gz ZCUWOUTWADMTIL-INIZCTEOSA-N 1 2 362.271 2.958 20 30 FFEDLO CSc1ccc(NC(=O)C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1 ZINC000844366047 748014122 /nfs/dbraw/zinc/01/41/22/748014122.db2.gz KUSGMUFJNAXBRH-SFHVURJKSA-N 1 2 355.463 2.884 20 30 FFEDLO CSc1ccc(NC(=O)C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1 ZINC000844366047 748014129 /nfs/dbraw/zinc/01/41/29/748014129.db2.gz KUSGMUFJNAXBRH-SFHVURJKSA-N 1 2 355.463 2.884 20 30 FFEDLO C[C@H](CC(=O)O[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)n1cc[nH+]c1 ZINC000845278909 748218175 /nfs/dbraw/zinc/21/81/75/748218175.db2.gz XJNOQIIKMOEBTG-NEPJUHHUSA-N 1 2 360.801 2.930 20 30 FFEDLO C=C[C@H](C)ONC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000845626987 748294805 /nfs/dbraw/zinc/29/48/05/748294805.db2.gz LLXADISPXYFMDW-MAZHCROVSA-N 1 2 353.850 2.517 20 30 FFEDLO C=C[C@H](C)ONC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000845626987 748294807 /nfs/dbraw/zinc/29/48/07/748294807.db2.gz LLXADISPXYFMDW-MAZHCROVSA-N 1 2 353.850 2.517 20 30 FFEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CC2(Br)CC2)CC1 ZINC000846851921 748558241 /nfs/dbraw/zinc/55/82/41/748558241.db2.gz PPKVCLIIGNZHPV-OAHLLOKOSA-N 1 2 352.251 2.935 20 30 FFEDLO C[C@@H]1CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)[C@H]1CCO ZINC000852460035 749865729 /nfs/dbraw/zinc/86/57/29/749865729.db2.gz ZHOSFMXROPHXAU-FMKPAKJESA-N 1 2 357.479 2.955 20 30 FFEDLO C[C@@H]1CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)[C@H]1CCO ZINC000852460035 749865734 /nfs/dbraw/zinc/86/57/34/749865734.db2.gz ZHOSFMXROPHXAU-FMKPAKJESA-N 1 2 357.479 2.955 20 30 FFEDLO C#CCCN(CCOC)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000853872656 750187719 /nfs/dbraw/zinc/18/77/19/750187719.db2.gz BUFHMGYYWYFISH-HNNXBMFYSA-N 1 2 364.515 2.879 20 30 FFEDLO C#CCCN(CCOC)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000853872656 750187723 /nfs/dbraw/zinc/18/77/23/750187723.db2.gz BUFHMGYYWYFISH-HNNXBMFYSA-N 1 2 364.515 2.879 20 30 FFEDLO C=CCn1c(SCC[NH+]2CCOCC2)nnc1-c1cccc(OC)c1 ZINC000059829587 845417064 /nfs/dbraw/zinc/41/70/64/845417064.db2.gz YYBSSWWRBMEYLS-UHFFFAOYSA-N 1 2 360.483 2.564 20 30 FFEDLO Cc1cccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001095287649 1013095728 /nfs/dbraw/zinc/09/57/28/1013095728.db2.gz CFHBXEUKZXRYFU-NEWSRXKRSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001095287649 1013095742 /nfs/dbraw/zinc/09/57/42/1013095742.db2.gz CFHBXEUKZXRYFU-NEWSRXKRSA-N 1 2 364.424 2.936 20 30 FFEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CN(C(=O)c4cc5c[nH+]ccc5[nH]4)[C@@H]3C2)C1 ZINC000974466704 971887962 /nfs/dbraw/zinc/88/79/62/971887962.db2.gz RQBOKKHPXTVKIR-RDTXWAMCSA-N 1 2 364.449 2.592 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(CC(C)C)no3)CC[C@@H]2C1 ZINC001088066892 972069651 /nfs/dbraw/zinc/06/96/51/972069651.db2.gz FAXVMNCVBXMUPX-CVEARBPZSA-N 1 2 360.502 2.761 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(CC(C)C)no3)CC[C@@H]2C1 ZINC001088066892 972069654 /nfs/dbraw/zinc/06/96/54/972069654.db2.gz FAXVMNCVBXMUPX-CVEARBPZSA-N 1 2 360.502 2.761 20 30 FFEDLO C=CCN(CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C(=O)OCC ZINC001209017905 959911450 /nfs/dbraw/zinc/91/14/50/959911450.db2.gz YQMYOAZOJCRXJK-HNNXBMFYSA-N 1 2 355.479 2.572 20 30 FFEDLO C=CCN(CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C(=O)OCC ZINC001209017905 959911461 /nfs/dbraw/zinc/91/14/61/959911461.db2.gz YQMYOAZOJCRXJK-HNNXBMFYSA-N 1 2 355.479 2.572 20 30 FFEDLO C=CCN(CCN1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1)C(=O)OCC ZINC001209024582 959922084 /nfs/dbraw/zinc/92/20/84/959922084.db2.gz UQVLDOACVJTYRE-INIZCTEOSA-N 1 2 359.461 2.826 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104243182 960369752 /nfs/dbraw/zinc/36/97/52/960369752.db2.gz IVRCVWALKJBZGW-XKQJLSEDSA-N 1 2 358.486 2.808 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cccc(F)c2Br)C1=O ZINC001276007724 1013278225 /nfs/dbraw/zinc/27/82/25/1013278225.db2.gz BJLMSPHAMMLPLD-KRWDZBQOSA-N 1 2 365.246 2.788 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(F)c2Br)C1=O ZINC001276007724 1013278231 /nfs/dbraw/zinc/27/82/31/1013278231.db2.gz BJLMSPHAMMLPLD-KRWDZBQOSA-N 1 2 365.246 2.788 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001010716723 961883602 /nfs/dbraw/zinc/88/36/02/961883602.db2.gz NHPGLUWCBZPCBP-JXXFODFXSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001010716723 961883624 /nfs/dbraw/zinc/88/36/24/961883624.db2.gz NHPGLUWCBZPCBP-JXXFODFXSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)CCC(C)=C(C)C1)C2 ZINC001110174019 1013307459 /nfs/dbraw/zinc/30/74/59/1013307459.db2.gz IWPMJJDPZMRQBX-WKRCXCSHSA-N 1 2 359.514 2.537 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)CCC(C)=C(C)C1)C2 ZINC001110174019 1013307471 /nfs/dbraw/zinc/30/74/71/1013307471.db2.gz IWPMJJDPZMRQBX-WKRCXCSHSA-N 1 2 359.514 2.537 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc(N3CCCC3)o1)CC2 ZINC001137064424 1013309178 /nfs/dbraw/zinc/30/91/78/1013309178.db2.gz BPKOBZUHTJIZFS-UHFFFAOYSA-N 1 2 356.470 2.874 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc(N3CCCC3)o1)CC2 ZINC001137064424 1013309185 /nfs/dbraw/zinc/30/91/85/1013309185.db2.gz BPKOBZUHTJIZFS-UHFFFAOYSA-N 1 2 356.470 2.874 20 30 FFEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)sc2C1 ZINC001175070393 1013384092 /nfs/dbraw/zinc/38/40/92/1013384092.db2.gz SPWCKKOTHZFPDB-NALNUFGESA-N 1 2 372.538 2.565 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC001022136152 964422311 /nfs/dbraw/zinc/42/23/11/964422311.db2.gz MZHBFQBSSJGUQU-DOTOQJQBSA-N 1 2 366.465 2.610 20 30 FFEDLO CC(C)c1cnc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CSCC#N)C2)o1 ZINC001111601159 964473277 /nfs/dbraw/zinc/47/32/77/964473277.db2.gz NMFSNISYCLTIDP-KSSFIOAISA-N 1 2 362.499 2.525 20 30 FFEDLO CC(C)c1cnc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CSCC#N)C2)o1 ZINC001111601159 964473285 /nfs/dbraw/zinc/47/32/85/964473285.db2.gz NMFSNISYCLTIDP-KSSFIOAISA-N 1 2 362.499 2.525 20 30 FFEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000134654899 964569270 /nfs/dbraw/zinc/56/92/70/964569270.db2.gz HOGYDDCHIHFDIT-WMLDXEAASA-N 1 2 372.469 2.874 20 30 FFEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000134654899 964569276 /nfs/dbraw/zinc/56/92/76/964569276.db2.gz HOGYDDCHIHFDIT-WMLDXEAASA-N 1 2 372.469 2.874 20 30 FFEDLO C=CC[C@@H](C(=O)OC)[NH+]1CCC(c2nc(C)c(C(=O)OCC)s2)CC1 ZINC001175631915 1013517981 /nfs/dbraw/zinc/51/79/81/1013517981.db2.gz SOIKKMAJWMDERW-AWEZNQCLSA-N 1 2 366.483 2.925 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCOCC3)[C@@H]2C1 ZINC001075740710 964811509 /nfs/dbraw/zinc/81/15/09/964811509.db2.gz CTVIRZSLQIHXAZ-OXFYSEKESA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCOCC3)[C@@H]2C1 ZINC001075740710 964811519 /nfs/dbraw/zinc/81/15/19/964811519.db2.gz CTVIRZSLQIHXAZ-OXFYSEKESA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@H+](C[C@H](O)COc3ccc(F)cc3)CCO2)cc1 ZINC000933622885 964967605 /nfs/dbraw/zinc/96/76/05/964967605.db2.gz NYKAXIKPQRAYID-AZUAARDMSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccc([C@H]2C[N@@H+](C[C@H](O)COc3ccc(F)cc3)CCO2)cc1 ZINC000933622885 964967618 /nfs/dbraw/zinc/96/76/18/964967618.db2.gz NYKAXIKPQRAYID-AZUAARDMSA-N 1 2 356.397 2.511 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C)n(C)n2)CCCCC1 ZINC001111483875 964987472 /nfs/dbraw/zinc/98/74/72/964987472.db2.gz OYLNIXYEMOUOGK-AQNXPRMDSA-N 1 2 368.525 2.924 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C)n(C)n2)CCCCC1 ZINC001111483875 964987480 /nfs/dbraw/zinc/98/74/80/964987480.db2.gz OYLNIXYEMOUOGK-AQNXPRMDSA-N 1 2 368.525 2.924 20 30 FFEDLO C#Cc1cc(Nc2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc[nH+]1 ZINC001175813055 1013569163 /nfs/dbraw/zinc/56/91/63/1013569163.db2.gz LGSYVHWVLKCINO-UHFFFAOYSA-N 1 2 367.453 2.997 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)nn1 ZINC000657474756 966647951 /nfs/dbraw/zinc/64/79/51/966647951.db2.gz QTRTYKSNQFLEJC-HNAYVOBHSA-N 1 2 371.460 2.835 20 30 FFEDLO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc(-c4ccco4)s3)[C@H]2C1 ZINC001083254314 967237660 /nfs/dbraw/zinc/23/76/60/967237660.db2.gz LZDARXNUMSMDGM-DZGCQCFKSA-N 1 2 359.451 2.504 20 30 FFEDLO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cnc(-c4ccco4)s3)[C@H]2C1 ZINC001083254314 967237671 /nfs/dbraw/zinc/23/76/71/967237671.db2.gz LZDARXNUMSMDGM-DZGCQCFKSA-N 1 2 359.451 2.504 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccon2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087512363 967525395 /nfs/dbraw/zinc/52/53/95/967525395.db2.gz NEXFOMMTXYYBQL-FUHWJXTLSA-N 1 2 357.841 2.962 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ccon2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087512363 967525403 /nfs/dbraw/zinc/52/54/03/967525403.db2.gz NEXFOMMTXYYBQL-FUHWJXTLSA-N 1 2 357.841 2.962 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)C[C@@H]3c3ccccc3)C2)C1 ZINC000972589587 967930326 /nfs/dbraw/zinc/93/03/26/967930326.db2.gz JHUVWLAYNXVTFZ-HJNYFJLDSA-N 1 2 352.478 2.507 20 30 FFEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)C[C@@H]3c3ccccc3)C2)C1 ZINC000972589587 967930332 /nfs/dbraw/zinc/93/03/32/967930332.db2.gz JHUVWLAYNXVTFZ-HJNYFJLDSA-N 1 2 352.478 2.507 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cc(CCC)n[nH]2)[C@H]1CC ZINC001087680574 968578148 /nfs/dbraw/zinc/57/81/48/968578148.db2.gz ZOSKEPGNTJLIKY-DZGCQCFKSA-N 1 2 369.307 2.854 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cc(CCC)n[nH]2)[C@H]1CC ZINC001087680574 968578156 /nfs/dbraw/zinc/57/81/56/968578156.db2.gz ZOSKEPGNTJLIKY-DZGCQCFKSA-N 1 2 369.307 2.854 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000685708696 968746359 /nfs/dbraw/zinc/74/63/59/968746359.db2.gz PIFMOMBDBHPOPL-LJQANCHMSA-N 1 2 353.426 2.589 20 30 FFEDLO C[C@H](C#N)Oc1ccc(CNc2cccc(CN3CCOCC3)[nH+]2)cc1 ZINC000179450688 968782913 /nfs/dbraw/zinc/78/29/13/968782913.db2.gz RUEJDXNPHMCYIA-MRXNPFEDSA-N 1 2 352.438 2.817 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H]2OCC[C@H]2C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087731216 968788673 /nfs/dbraw/zinc/78/86/73/968788673.db2.gz AQXGBFSXQOLXAK-MAAHGYRXSA-N 1 2 359.445 2.591 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H]2OCC[C@H]2C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087731216 968788681 /nfs/dbraw/zinc/78/86/81/968788681.db2.gz AQXGBFSXQOLXAK-MAAHGYRXSA-N 1 2 359.445 2.591 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087774649 968992242 /nfs/dbraw/zinc/99/22/42/968992242.db2.gz CVHSGLDMYHTWIK-ZWKOTPCHSA-N 1 2 370.884 2.626 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087774649 968992248 /nfs/dbraw/zinc/99/22/48/968992248.db2.gz CVHSGLDMYHTWIK-ZWKOTPCHSA-N 1 2 370.884 2.626 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2n[nH]c3c2C[C@@H](C)CC3)[C@H]1CC ZINC001087780481 969035005 /nfs/dbraw/zinc/03/50/05/969035005.db2.gz JIJHFCXFVGUDGT-KNXALSJPSA-N 1 2 350.894 2.870 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]c3c2C[C@@H](C)CC3)[C@H]1CC ZINC001087780481 969035015 /nfs/dbraw/zinc/03/50/15/969035015.db2.gz JIJHFCXFVGUDGT-KNXALSJPSA-N 1 2 350.894 2.870 20 30 FFEDLO C#C[C@H]1CC[C@H](NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CC1 ZINC000874864518 1013919213 /nfs/dbraw/zinc/91/92/13/1013919213.db2.gz IXQZUOUHOUCEHO-SAABIXHNSA-N 1 2 364.449 2.834 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C5CC5)[nH]4)CC[C@@H]3C2)CC1 ZINC001088093003 972713659 /nfs/dbraw/zinc/71/36/59/972713659.db2.gz GCHCPZKCSVLEBB-MSOLQXFVSA-N 1 2 369.513 2.709 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C5CC5)[nH]4)CC[C@@H]3C2)CC1 ZINC001088093003 972713668 /nfs/dbraw/zinc/71/36/68/972713668.db2.gz GCHCPZKCSVLEBB-MSOLQXFVSA-N 1 2 369.513 2.709 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](Cc4nc(CC5CC5)no4)CC[C@@H]3C2)C1 ZINC001088098313 972772648 /nfs/dbraw/zinc/77/26/48/972772648.db2.gz CYKAFVINMHTBNS-SJORKVTESA-N 1 2 370.497 2.659 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](Cc4nc(CC5CC5)no4)CC[C@@H]3C2)C1 ZINC001088098313 972772657 /nfs/dbraw/zinc/77/26/57/972772657.db2.gz CYKAFVINMHTBNS-SJORKVTESA-N 1 2 370.497 2.659 20 30 FFEDLO C#CCOc1cc(F)ccc1NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001137093287 1014063288 /nfs/dbraw/zinc/06/32/88/1014063288.db2.gz XTTHUHIYLZSVDD-UHFFFAOYSA-N 1 2 351.337 2.981 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000875920275 1014095795 /nfs/dbraw/zinc/09/57/95/1014095795.db2.gz ZFMKYEUJDZACFI-IEBWSBKVSA-N 1 2 373.497 2.512 20 30 FFEDLO C=C(C)[C@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)c(F)c1 ZINC000661036827 973434603 /nfs/dbraw/zinc/43/46/03/973434603.db2.gz NBIBHJOCBSTSME-QAPCUYQASA-N 1 2 365.424 2.698 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4occc4[nH]3)[C@@H]2C1 ZINC001075848767 973852906 /nfs/dbraw/zinc/85/29/06/973852906.db2.gz RTRBUAYSWQAFRR-SMDDNHRTSA-N 1 2 364.243 2.816 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4occc4[nH]3)[C@@H]2C1 ZINC001075848767 973852913 /nfs/dbraw/zinc/85/29/13/973852913.db2.gz RTRBUAYSWQAFRR-SMDDNHRTSA-N 1 2 364.243 2.816 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2nc(C)c(C)o2)CC1(C)C ZINC000977322994 974743122 /nfs/dbraw/zinc/74/31/22/974743122.db2.gz DFJBXCDVBCXQHQ-BQFCYCMXSA-N 1 2 361.486 2.599 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@@H+](Cc2nc(C)c(C)o2)CC1(C)C ZINC000977322994 974743128 /nfs/dbraw/zinc/74/31/28/974743128.db2.gz DFJBXCDVBCXQHQ-BQFCYCMXSA-N 1 2 361.486 2.599 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cncc(F)c2)CC1(C)C ZINC000977324552 974743319 /nfs/dbraw/zinc/74/33/19/974743319.db2.gz HHDVEKSQCXIMDH-KSZLIROESA-N 1 2 361.461 2.529 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cncc(F)c2)CC1(C)C ZINC000977324552 974743322 /nfs/dbraw/zinc/74/33/22/974743322.db2.gz HHDVEKSQCXIMDH-KSZLIROESA-N 1 2 361.461 2.529 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cn2)CC1(C)C ZINC000977323139 974743494 /nfs/dbraw/zinc/74/34/94/974743494.db2.gz FDXANIGXGOONJS-KSZLIROESA-N 1 2 361.461 2.529 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cn2)CC1(C)C ZINC000977323139 974743497 /nfs/dbraw/zinc/74/34/97/974743497.db2.gz FDXANIGXGOONJS-KSZLIROESA-N 1 2 361.461 2.529 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)COC3CCCC3)[C@@H]2C1 ZINC001075575153 975097375 /nfs/dbraw/zinc/09/73/75/975097375.db2.gz OZZXGSHNEMDZFQ-OXJNMPFZSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)COC3CCCC3)[C@@H]2C1 ZINC001075575153 975097382 /nfs/dbraw/zinc/09/73/82/975097382.db2.gz OZZXGSHNEMDZFQ-OXJNMPFZSA-N 1 2 371.456 2.689 20 30 FFEDLO N#CCn1c(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)nc2ccccc2c1=O ZINC000729851526 975400332 /nfs/dbraw/zinc/40/03/32/975400332.db2.gz BKVFXHAXQGLLIV-HXUWFJFHSA-N 1 2 374.444 2.884 20 30 FFEDLO N#CCn1c(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)nc2ccccc2c1=O ZINC000729851526 975400334 /nfs/dbraw/zinc/40/03/34/975400334.db2.gz BKVFXHAXQGLLIV-HXUWFJFHSA-N 1 2 374.444 2.884 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CCc1ccco1 ZINC001205973044 1032090132 /nfs/dbraw/zinc/09/01/32/1032090132.db2.gz ZBGJLTHXPXXIQG-AUUYWEPGSA-N 1 2 355.413 2.860 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CCc1ccco1 ZINC001205973044 1032090150 /nfs/dbraw/zinc/09/01/50/1032090150.db2.gz ZBGJLTHXPXXIQG-AUUYWEPGSA-N 1 2 355.413 2.860 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ncc(C)o4)C[C@H]32)cc1 ZINC001075960033 975741164 /nfs/dbraw/zinc/74/11/64/975741164.db2.gz UEMUXAMRTBUKEK-PKOBYXMFSA-N 1 2 367.449 2.894 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ncc(C)o4)C[C@H]32)cc1 ZINC001075960033 975741176 /nfs/dbraw/zinc/74/11/76/975741176.db2.gz UEMUXAMRTBUKEK-PKOBYXMFSA-N 1 2 367.449 2.894 20 30 FFEDLO Cc1cncc(CC(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@@H]2C)c1 ZINC001088774334 976101662 /nfs/dbraw/zinc/10/16/62/976101662.db2.gz IOOIBOGBWXBXRA-QRWLVFNGSA-N 1 2 366.440 2.723 20 30 FFEDLO Cc1cncc(CC(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@@H]2C)c1 ZINC001088774334 976101671 /nfs/dbraw/zinc/10/16/71/976101671.db2.gz IOOIBOGBWXBXRA-QRWLVFNGSA-N 1 2 366.440 2.723 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)on2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088778697 976134763 /nfs/dbraw/zinc/13/47/63/976134763.db2.gz QEAILFHCSAGSMM-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)on2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088778697 976134774 /nfs/dbraw/zinc/13/47/74/976134774.db2.gz QEAILFHCSAGSMM-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2Cc3ccc(F)cc32)[C@H]1C ZINC001088819819 977103885 /nfs/dbraw/zinc/10/38/85/977103885.db2.gz RJCYQJOKHGGEJU-LYRGGWFBSA-N 1 2 367.262 2.953 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2Cc3ccc(F)cc32)[C@H]1C ZINC001088819819 977103888 /nfs/dbraw/zinc/10/38/88/977103888.db2.gz RJCYQJOKHGGEJU-LYRGGWFBSA-N 1 2 367.262 2.953 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3csc(C4CCCC4)n3)C[C@H]21 ZINC001075616217 977318649 /nfs/dbraw/zinc/31/86/49/977318649.db2.gz MNOKRILKGNQUIK-UKPHBRMFSA-N 1 2 358.511 2.993 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3csc(C4CCCC4)n3)C[C@H]21 ZINC001075616217 977318655 /nfs/dbraw/zinc/31/86/55/977318655.db2.gz MNOKRILKGNQUIK-UKPHBRMFSA-N 1 2 358.511 2.993 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3csc(-c4ccoc4)n3)C[C@H]21 ZINC001075616626 977329233 /nfs/dbraw/zinc/32/92/33/977329233.db2.gz YUSGLDGVYLTJHA-HEHGZKQESA-N 1 2 356.451 2.595 20 30 FFEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3csc(-c4ccoc4)n3)C[C@H]21 ZINC001075616626 977329241 /nfs/dbraw/zinc/32/92/41/977329241.db2.gz YUSGLDGVYLTJHA-HEHGZKQESA-N 1 2 356.451 2.595 20 30 FFEDLO Cc1[nH]ccc1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001075666482 978192414 /nfs/dbraw/zinc/19/24/14/978192414.db2.gz IJMANJIDNKFARZ-HNAYVOBHSA-N 1 2 352.413 2.680 20 30 FFEDLO Cc1[nH]ccc1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001075666482 978192420 /nfs/dbraw/zinc/19/24/20/978192420.db2.gz IJMANJIDNKFARZ-HNAYVOBHSA-N 1 2 352.413 2.680 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)Cc2nn(CC)cc21 ZINC001137116946 1014481935 /nfs/dbraw/zinc/48/19/35/1014481935.db2.gz WJENQGPCOKDWIW-QGZVFWFLSA-N 1 2 354.454 2.941 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)Cc2nn(CC)cc21 ZINC001137116946 1014481940 /nfs/dbraw/zinc/48/19/40/1014481940.db2.gz WJENQGPCOKDWIW-QGZVFWFLSA-N 1 2 354.454 2.941 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001060098228 979097327 /nfs/dbraw/zinc/09/73/27/979097327.db2.gz WGDXTYCDJPTTBR-LNLFQRSKSA-N 1 2 358.486 2.807 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ncc(C)s4)C[C@H]32)cc1 ZINC001076119922 979128796 /nfs/dbraw/zinc/12/87/96/979128796.db2.gz ZGCUOWUBNBDVNZ-ZWKOTPCHSA-N 1 2 351.475 2.779 20 30 FFEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ncc(C)s4)C[C@H]32)cc1 ZINC001076119922 979128799 /nfs/dbraw/zinc/12/87/99/979128799.db2.gz ZGCUOWUBNBDVNZ-ZWKOTPCHSA-N 1 2 351.475 2.779 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(-c4cccnc4)on3)[C@@H]2C1 ZINC001076197626 979206923 /nfs/dbraw/zinc/20/69/23/979206923.db2.gz AACMZOARKOUGPX-GOEBONIOSA-N 1 2 358.829 2.635 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(-c4cccnc4)on3)[C@@H]2C1 ZINC001076197626 979206932 /nfs/dbraw/zinc/20/69/32/979206932.db2.gz AACMZOARKOUGPX-GOEBONIOSA-N 1 2 358.829 2.635 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C(C)(F)F)[C@@H]2C1 ZINC001076254981 979281990 /nfs/dbraw/zinc/28/19/90/979281990.db2.gz PMNIPLFBBDKLEH-GRYCIOLGSA-N 1 2 351.235 2.719 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C(C)(F)F)[C@@H]2C1 ZINC001076254981 979281993 /nfs/dbraw/zinc/28/19/93/979281993.db2.gz PMNIPLFBBDKLEH-GRYCIOLGSA-N 1 2 351.235 2.719 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4nccs4)[C@@H]3C2)cc1F ZINC001076392066 979449912 /nfs/dbraw/zinc/44/99/12/979449912.db2.gz HUAVXAWAGOGTFV-GOEBONIOSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4nccs4)[C@@H]3C2)cc1F ZINC001076392066 979449918 /nfs/dbraw/zinc/44/99/18/979449918.db2.gz HUAVXAWAGOGTFV-GOEBONIOSA-N 1 2 356.426 2.500 20 30 FFEDLO Cc1ncsc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088480596 979792651 /nfs/dbraw/zinc/79/26/51/979792651.db2.gz LXAGFHMBZRHJRU-PBHICJAKSA-N 1 2 357.454 2.835 20 30 FFEDLO Cc1ncsc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088480596 979792657 /nfs/dbraw/zinc/79/26/57/979792657.db2.gz LXAGFHMBZRHJRU-PBHICJAKSA-N 1 2 357.454 2.835 20 30 FFEDLO Cc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)s1 ZINC001088488517 979875299 /nfs/dbraw/zinc/87/52/99/979875299.db2.gz HUCDHYLAXGUORA-BZNIZROVSA-N 1 2 358.442 2.855 20 30 FFEDLO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)s1 ZINC001088488517 979875304 /nfs/dbraw/zinc/87/53/04/979875304.db2.gz HUCDHYLAXGUORA-BZNIZROVSA-N 1 2 358.442 2.855 20 30 FFEDLO Cn1ccnc1C[NH+]1CCC(C(=O)N(O)CCCCc2ccccc2)CC1 ZINC000904196708 980213425 /nfs/dbraw/zinc/21/34/25/980213425.db2.gz CVZBVYDASJOJHQ-UHFFFAOYSA-N 1 2 370.497 2.873 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nc(CC)no3)C[C@H]21 ZINC001075885093 980474380 /nfs/dbraw/zinc/47/43/80/980474380.db2.gz DYXGXSXVWNEMDD-YQQAZPJKSA-N 1 2 369.469 2.527 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3nc(CC)no3)C[C@H]21 ZINC001075885093 980474385 /nfs/dbraw/zinc/47/43/85/980474385.db2.gz DYXGXSXVWNEMDD-YQQAZPJKSA-N 1 2 369.469 2.527 20 30 FFEDLO Cc1cc(C)c(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(C)[nH+]1 ZINC000906086025 980568301 /nfs/dbraw/zinc/56/83/01/980568301.db2.gz NYKVTPXJGFQDHR-UHFFFAOYSA-N 1 2 365.437 2.706 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccn(C(F)F)n2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088593022 981351676 /nfs/dbraw/zinc/35/16/76/981351676.db2.gz LREBGFVQKSZZGO-DOMZBBRYSA-N 1 2 359.380 2.543 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccn(C(F)F)n2)CC[N@H+]1Cc1ccccc1C#N ZINC001088593022 981351680 /nfs/dbraw/zinc/35/16/80/981351680.db2.gz LREBGFVQKSZZGO-DOMZBBRYSA-N 1 2 359.380 2.543 20 30 FFEDLO Cc1csc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C#N)n(C)c2)c1 ZINC001272108627 981667904 /nfs/dbraw/zinc/66/79/04/981667904.db2.gz RKTBJSQZFXOLJM-IYBDPMFKSA-N 1 2 354.479 2.756 20 30 FFEDLO Cc1csc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C#N)n(C)c2)c1 ZINC001272108627 981667907 /nfs/dbraw/zinc/66/79/07/981667907.db2.gz RKTBJSQZFXOLJM-IYBDPMFKSA-N 1 2 354.479 2.756 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC2(F)F)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088650288 982160822 /nfs/dbraw/zinc/16/08/22/982160822.db2.gz OHOLYUDQWOFTSA-RLCCDNCMSA-N 1 2 351.372 2.822 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC2(F)F)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088650288 982160828 /nfs/dbraw/zinc/16/08/28/982160828.db2.gz OHOLYUDQWOFTSA-RLCCDNCMSA-N 1 2 351.372 2.822 20 30 FFEDLO Cn1cc[nH+]c1C[C@H](NC(=O)Cc1cccc(OCC#N)c1)c1ccccc1 ZINC000760398403 982390855 /nfs/dbraw/zinc/39/08/55/982390855.db2.gz PCCLZFYDPFJYEX-FQEVSTJZSA-N 1 2 374.444 2.965 20 30 FFEDLO NC(=NOC[C@H]1CCCCC1(F)F)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000842023574 982611741 /nfs/dbraw/zinc/61/17/41/982611741.db2.gz FFBKXYRPTPGPJS-QGZVFWFLSA-N 1 2 367.440 2.981 20 30 FFEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC[C@@](C#N)(C(C)=O)c3ccccc3)[C@H]2C1 ZINC000878302286 1014977199 /nfs/dbraw/zinc/97/71/99/1014977199.db2.gz YKMYNUQCVNEFKF-IVAOSVALSA-N 1 2 356.466 2.695 20 30 FFEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC[C@@](C#N)(C(C)=O)c3ccccc3)[C@H]2C1 ZINC000878302286 1014977204 /nfs/dbraw/zinc/97/72/04/1014977204.db2.gz YKMYNUQCVNEFKF-IVAOSVALSA-N 1 2 356.466 2.695 20 30 FFEDLO C#CCCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnc(C(C)C)[nH]1)CC2 ZINC001107372085 984483346 /nfs/dbraw/zinc/48/33/46/984483346.db2.gz NZUPSBKMAQTXEU-DYESRHJHSA-N 1 2 371.529 2.983 20 30 FFEDLO C#CCCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnc(C(C)C)[nH]1)CC2 ZINC001107372085 984483348 /nfs/dbraw/zinc/48/33/48/984483348.db2.gz NZUPSBKMAQTXEU-DYESRHJHSA-N 1 2 371.529 2.983 20 30 FFEDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000057548094 984503502 /nfs/dbraw/zinc/50/35/02/984503502.db2.gz NWSOGHWVOCMFIP-INIZCTEOSA-N 1 2 364.449 2.716 20 30 FFEDLO CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(C3CCC3)no1)CC2 ZINC001107397160 984505330 /nfs/dbraw/zinc/50/53/30/984505330.db2.gz VMHZIUBQXHCIEU-DYESRHJHSA-N 1 2 370.497 2.857 20 30 FFEDLO CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nc(C3CCC3)no1)CC2 ZINC001107397160 984505334 /nfs/dbraw/zinc/50/53/34/984505334.db2.gz VMHZIUBQXHCIEU-DYESRHJHSA-N 1 2 370.497 2.857 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC/C=C/CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001107551296 984692650 /nfs/dbraw/zinc/69/26/50/984692650.db2.gz FZFXDHOJAJKNQM-NGHLMZTLSA-N 1 2 358.486 2.974 20 30 FFEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000761115272 984799758 /nfs/dbraw/zinc/79/97/58/984799758.db2.gz QKWHUSKFQMUIRM-CYBMUJFWSA-N 1 2 354.360 2.955 20 30 FFEDLO CC[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001212185495 985005658 /nfs/dbraw/zinc/00/56/58/985005658.db2.gz VDRYFERHSGVLJE-KFKAGJAMSA-N 1 2 362.901 2.943 20 30 FFEDLO CC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001212185495 985005667 /nfs/dbraw/zinc/00/56/67/985005667.db2.gz VDRYFERHSGVLJE-KFKAGJAMSA-N 1 2 362.901 2.943 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCc3c2cc(F)cc3F)C[C@H]1OC ZINC001212187403 985140359 /nfs/dbraw/zinc/14/03/59/985140359.db2.gz RPVHEJMDXQGXCA-CEXWTWQISA-N 1 2 362.420 2.571 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3c2cc(F)cc3F)C[C@H]1OC ZINC001212187403 985140372 /nfs/dbraw/zinc/14/03/72/985140372.db2.gz RPVHEJMDXQGXCA-CEXWTWQISA-N 1 2 362.420 2.571 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)no2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088892127 985347342 /nfs/dbraw/zinc/34/73/42/985347342.db2.gz JAUUTKBEJOQXEM-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)no2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088892127 985347351 /nfs/dbraw/zinc/34/73/51/985347351.db2.gz JAUUTKBEJOQXEM-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2coc(C3CC3)n2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088903465 985398979 /nfs/dbraw/zinc/39/89/79/985398979.db2.gz RYVRCDJQJXSCIU-DYVFJYSZSA-N 1 2 350.422 2.816 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2coc(C3CC3)n2)CC[N@H+]1Cc1ccccc1C#N ZINC001088903465 985398991 /nfs/dbraw/zinc/39/89/91/985398991.db2.gz RYVRCDJQJXSCIU-DYVFJYSZSA-N 1 2 350.422 2.816 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088940103 985529103 /nfs/dbraw/zinc/52/91/03/985529103.db2.gz CNSCIOWNFVIVRW-PXAZEXFGSA-N 1 2 356.376 2.624 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088940103 985529113 /nfs/dbraw/zinc/52/91/13/985529113.db2.gz CNSCIOWNFVIVRW-PXAZEXFGSA-N 1 2 356.376 2.624 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000172772314 985673220 /nfs/dbraw/zinc/67/32/20/985673220.db2.gz LCGQDKZTKFDSBU-IBGZPJMESA-N 1 2 362.433 2.706 20 30 FFEDLO C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C3)C1 ZINC000997818178 985761020 /nfs/dbraw/zinc/76/10/20/985761020.db2.gz DKTFGQXVQNECRJ-IKGGRYGDSA-N 1 2 370.497 2.531 20 30 FFEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CC=C(Cl)Cl)[C@@H]1C ZINC001088989675 985783611 /nfs/dbraw/zinc/78/36/11/985783611.db2.gz HKLOISKKPMKVFS-OCCSQVGLSA-N 1 2 368.264 2.605 20 30 FFEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](CC=C(Cl)Cl)[C@@H]1C ZINC001088989675 985783615 /nfs/dbraw/zinc/78/36/15/985783615.db2.gz HKLOISKKPMKVFS-OCCSQVGLSA-N 1 2 368.264 2.605 20 30 FFEDLO C[C@@H]1C[N@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)[C@@H]1c1ccccc1 ZINC000173456603 985834827 /nfs/dbraw/zinc/83/48/27/985834827.db2.gz JHVWGQWXRWEQSK-IERDGZPVSA-N 1 2 374.444 2.973 20 30 FFEDLO C[C@@H]1C[N@@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)[C@@H]1c1ccccc1 ZINC000173456603 985834833 /nfs/dbraw/zinc/83/48/33/985834833.db2.gz JHVWGQWXRWEQSK-IERDGZPVSA-N 1 2 374.444 2.973 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001089034741 986041561 /nfs/dbraw/zinc/04/15/61/986041561.db2.gz MVWRROCMZXPWQX-XIKOKIGWSA-N 1 2 370.428 2.949 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001089034741 986041575 /nfs/dbraw/zinc/04/15/75/986041575.db2.gz MVWRROCMZXPWQX-XIKOKIGWSA-N 1 2 370.428 2.949 20 30 FFEDLO CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001089042119 986074135 /nfs/dbraw/zinc/07/41/35/986074135.db2.gz IJYMIOBPXLKFKH-KDOFPFPSSA-N 1 2 354.429 2.912 20 30 FFEDLO CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001089042119 986074145 /nfs/dbraw/zinc/07/41/45/986074145.db2.gz IJYMIOBPXLKFKH-KDOFPFPSSA-N 1 2 354.429 2.912 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001007357152 1015192154 /nfs/dbraw/zinc/19/21/54/1015192154.db2.gz OAVTYAGPIYLLLU-AABGKKOBSA-N 1 2 355.482 2.700 20 30 FFEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001007357152 1015192158 /nfs/dbraw/zinc/19/21/58/1015192158.db2.gz OAVTYAGPIYLLLU-AABGKKOBSA-N 1 2 355.482 2.700 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H](C)C2CCOCC2)[C@H]1C ZINC001089087592 986291889 /nfs/dbraw/zinc/29/18/89/986291889.db2.gz ITJOZQLSXFJBIK-NFAWXSAZSA-N 1 2 359.308 2.537 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CCOCC2)[C@H]1C ZINC001089087592 986291900 /nfs/dbraw/zinc/29/19/00/986291900.db2.gz ITJOZQLSXFJBIK-NFAWXSAZSA-N 1 2 359.308 2.537 20 30 FFEDLO CC1=C(C)C[C@@](C)(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)CC1 ZINC001078252620 987106525 /nfs/dbraw/zinc/10/65/25/987106525.db2.gz PZASGDDBTWMBHG-XPNTWCBSSA-N 1 2 366.505 2.726 20 30 FFEDLO CC1=C(C)C[C@@](C)(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)CC1 ZINC001078252620 987106531 /nfs/dbraw/zinc/10/65/31/987106531.db2.gz PZASGDDBTWMBHG-XPNTWCBSSA-N 1 2 366.505 2.726 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001061011647 987207029 /nfs/dbraw/zinc/20/70/29/987207029.db2.gz DBCRNPJXLGSDAZ-HZPDHXFCSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001061011647 987207033 /nfs/dbraw/zinc/20/70/33/987207033.db2.gz DBCRNPJXLGSDAZ-HZPDHXFCSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001061040382 987251966 /nfs/dbraw/zinc/25/19/66/987251966.db2.gz AJBMFLGOKLQTGM-GVDBMIGSSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001061040382 987251972 /nfs/dbraw/zinc/25/19/72/987251972.db2.gz AJBMFLGOKLQTGM-GVDBMIGSSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168722734 988408021 /nfs/dbraw/zinc/40/80/21/988408021.db2.gz WJHOBHIXIFNDFJ-RDTXWAMCSA-N 1 2 358.873 2.738 20 30 FFEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168722734 988408025 /nfs/dbraw/zinc/40/80/25/988408025.db2.gz WJHOBHIXIFNDFJ-RDTXWAMCSA-N 1 2 358.873 2.738 20 30 FFEDLO C[C@H](CCNc1snc(Cl)c1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001106625486 988529353 /nfs/dbraw/zinc/52/93/53/988529353.db2.gz KXJDKUGOOVWONI-OPRDCNLKSA-N 1 2 364.862 2.502 20 30 FFEDLO C[C@H](CCNc1snc(Cl)c1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001106625486 988529358 /nfs/dbraw/zinc/52/93/58/988529358.db2.gz KXJDKUGOOVWONI-OPRDCNLKSA-N 1 2 364.862 2.502 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC001033087673 988769463 /nfs/dbraw/zinc/76/94/63/988769463.db2.gz YAXLNZPZARFXAA-SCTDSRPQSA-N 1 2 364.436 2.979 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001033087673 988769477 /nfs/dbraw/zinc/76/94/77/988769477.db2.gz YAXLNZPZARFXAA-SCTDSRPQSA-N 1 2 364.436 2.979 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001007919015 1015420449 /nfs/dbraw/zinc/42/04/49/1015420449.db2.gz LGLYBIXPGVYVNZ-QHAWAJNXSA-N 1 2 367.493 2.702 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001007919015 1015420454 /nfs/dbraw/zinc/42/04/54/1015420454.db2.gz LGLYBIXPGVYVNZ-QHAWAJNXSA-N 1 2 367.493 2.702 20 30 FFEDLO CC(=O)Nc1cccc2c1C[N@@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000879236813 1015427146 /nfs/dbraw/zinc/42/71/46/1015427146.db2.gz OGKPISNNEQRIIN-NRFANRHFSA-N 1 2 374.444 2.680 20 30 FFEDLO CC(=O)Nc1cccc2c1C[N@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000879236813 1015427152 /nfs/dbraw/zinc/42/71/52/1015427152.db2.gz OGKPISNNEQRIIN-NRFANRHFSA-N 1 2 374.444 2.680 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)c(F)c1 ZINC001007998032 1015451818 /nfs/dbraw/zinc/45/18/18/1015451818.db2.gz DZQITTGUIGTFQQ-NSHGMRRFSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)c(F)c1 ZINC001007998032 1015451823 /nfs/dbraw/zinc/45/18/23/1015451823.db2.gz DZQITTGUIGTFQQ-NSHGMRRFSA-N 1 2 371.456 2.593 20 30 FFEDLO C[C@@]1(CNC(=O)C[C@@H]2C[C@H]2C2CC2)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108090533 989297253 /nfs/dbraw/zinc/29/72/53/989297253.db2.gz WQGSCQDOXGKLSP-JAXLGGSGSA-N 1 2 367.493 2.702 20 30 FFEDLO C[C@@]1(CNC(=O)C[C@@H]2C[C@H]2C2CC2)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108090533 989297260 /nfs/dbraw/zinc/29/72/60/989297260.db2.gz WQGSCQDOXGKLSP-JAXLGGSGSA-N 1 2 367.493 2.702 20 30 FFEDLO Cc1nsc(NC2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)c1C#N ZINC001060633239 989539317 /nfs/dbraw/zinc/53/93/17/989539317.db2.gz RPNJMEQDSXSKQG-NWINJMCUSA-N 1 2 370.482 2.689 20 30 FFEDLO Cc1nsc(NC2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)c1C#N ZINC001060633239 989539321 /nfs/dbraw/zinc/53/93/21/989539321.db2.gz RPNJMEQDSXSKQG-NWINJMCUSA-N 1 2 370.482 2.689 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001034403346 990059101 /nfs/dbraw/zinc/05/91/01/990059101.db2.gz FUZGETPGJWWTJH-BBWFWOEESA-N 1 2 359.470 2.614 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001034403346 990059108 /nfs/dbraw/zinc/05/91/08/990059108.db2.gz FUZGETPGJWWTJH-BBWFWOEESA-N 1 2 359.470 2.614 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ncc(C)o2)C1 ZINC001034437761 990081229 /nfs/dbraw/zinc/08/12/29/990081229.db2.gz YRBQNYBVNQUNRM-AOIWGVFYSA-N 1 2 361.486 2.825 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ncc(C)o2)C1 ZINC001034437761 990081236 /nfs/dbraw/zinc/08/12/36/990081236.db2.gz YRBQNYBVNQUNRM-AOIWGVFYSA-N 1 2 361.486 2.825 20 30 FFEDLO C[C@@]1(c2ccccc2)NC(=O)N(N=Cc2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000917027645 990096064 /nfs/dbraw/zinc/09/60/64/990096064.db2.gz LCSYOEJCAFOZCG-FQEVSTJZSA-N 1 2 359.389 2.673 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001061886996 990507557 /nfs/dbraw/zinc/50/75/57/990507557.db2.gz IWTBCACWPLBYAB-QGTPRVQTSA-N 1 2 358.486 2.805 20 30 FFEDLO CN(C)C(=O)c1cccc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)c1 ZINC000879588380 1015599158 /nfs/dbraw/zinc/59/91/58/1015599158.db2.gz FFKWEPPEOOLWSR-UHFFFAOYSA-N 1 2 366.440 2.721 20 30 FFEDLO CC(C)[C@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)CC1 ZINC001083892112 991398938 /nfs/dbraw/zinc/39/89/38/991398938.db2.gz LGVFBZBDXJYQAH-YSFYHYPLSA-N 1 2 368.521 2.662 20 30 FFEDLO CC(C)[C@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)CC1 ZINC001083892112 991398942 /nfs/dbraw/zinc/39/89/42/991398942.db2.gz LGVFBZBDXJYQAH-YSFYHYPLSA-N 1 2 368.521 2.662 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CCC)CC2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129307503 991530534 /nfs/dbraw/zinc/53/05/34/991530534.db2.gz DKAMHLPWVHQQTR-ZCNNSNEGSA-N 1 2 371.529 2.640 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CCC)CC2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129307503 991530544 /nfs/dbraw/zinc/53/05/44/991530544.db2.gz DKAMHLPWVHQQTR-ZCNNSNEGSA-N 1 2 371.529 2.640 20 30 FFEDLO CCN(c1cccc(F)c1C#N)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089774452 991545679 /nfs/dbraw/zinc/54/56/79/991545679.db2.gz CTASJYGOAYGTIK-MGPQQGTHSA-N 1 2 355.417 2.555 20 30 FFEDLO CCN(c1cccc(F)c1C#N)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089774452 991545691 /nfs/dbraw/zinc/54/56/91/991545691.db2.gz CTASJYGOAYGTIK-MGPQQGTHSA-N 1 2 355.417 2.555 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001484446841 991600253 /nfs/dbraw/zinc/60/02/53/991600253.db2.gz KWEGAXWYRXAOKX-NSHGMRRFSA-N 1 2 362.901 2.794 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001484446841 991600257 /nfs/dbraw/zinc/60/02/57/991600257.db2.gz KWEGAXWYRXAOKX-NSHGMRRFSA-N 1 2 362.901 2.794 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@H]21 ZINC001090292027 991686314 /nfs/dbraw/zinc/68/63/14/991686314.db2.gz ARWQSVDPCHWNNZ-RYQLBKOJSA-N 1 2 370.497 2.681 20 30 FFEDLO C=CCOCCCC(=O)N1CC[C@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@H]21 ZINC001090297159 991691723 /nfs/dbraw/zinc/69/17/23/991691723.db2.gz PRNLODBQJHDHBW-ZWKOTPCHSA-N 1 2 370.497 2.682 20 30 FFEDLO Cc1nc(N2C[C@@H]3CCN(C(=O)C#CC(C)(C)C)[C@@H]3C2)c2c([nH+]1)CCCC2 ZINC001090313309 991701516 /nfs/dbraw/zinc/70/15/16/991701516.db2.gz HXQUPCCOGLYAPM-QFBILLFUSA-N 1 2 366.509 2.750 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)o1 ZINC001079528121 992164680 /nfs/dbraw/zinc/16/46/80/992164680.db2.gz VBNLQTFVAQKMAE-PIGZYNQJSA-N 1 2 356.401 2.553 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)o1 ZINC001079528121 992164690 /nfs/dbraw/zinc/16/46/90/992164690.db2.gz VBNLQTFVAQKMAE-PIGZYNQJSA-N 1 2 356.401 2.553 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2c(F)cccc2Cl)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079539378 992167429 /nfs/dbraw/zinc/16/74/29/992167429.db2.gz FUXWWSDKMCRCRY-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2c(F)cccc2Cl)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079539378 992167436 /nfs/dbraw/zinc/16/74/36/992167436.db2.gz FUXWWSDKMCRCRY-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588182 992231323 /nfs/dbraw/zinc/23/13/23/992231323.db2.gz BMPRAWKSYYOLBH-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Cl)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588182 992231329 /nfs/dbraw/zinc/23/13/29/992231329.db2.gz BMPRAWKSYYOLBH-PIGZYNQJSA-N 1 2 360.820 2.929 20 30 FFEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001079600997 992249829 /nfs/dbraw/zinc/24/98/29/992249829.db2.gz CGKIGCJQMMGSFH-DVOMOZLQSA-N 1 2 369.469 2.983 20 30 FFEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001079600997 992249836 /nfs/dbraw/zinc/24/98/36/992249836.db2.gz CGKIGCJQMMGSFH-DVOMOZLQSA-N 1 2 369.469 2.983 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC001032040807 992740467 /nfs/dbraw/zinc/74/04/67/992740467.db2.gz VDWTYKOUFSWNNA-OALUTQOASA-N 1 2 364.436 2.884 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC)c2C)C1 ZINC001080306472 992910539 /nfs/dbraw/zinc/91/05/39/992910539.db2.gz VGNSTKFMNARNFH-IAQYHMDHSA-N 1 2 354.292 2.775 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC)c2C)C1 ZINC001080306472 992910545 /nfs/dbraw/zinc/91/05/45/992910545.db2.gz VGNSTKFMNARNFH-IAQYHMDHSA-N 1 2 354.292 2.775 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1nc(Cl)cs1 ZINC001080328516 992936929 /nfs/dbraw/zinc/93/69/29/992936929.db2.gz PMLDLGYYSVECQE-BXUZGUMPSA-N 1 2 360.870 2.918 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1nc(Cl)cs1 ZINC001080328516 992936944 /nfs/dbraw/zinc/93/69/44/992936944.db2.gz PMLDLGYYSVECQE-BXUZGUMPSA-N 1 2 360.870 2.918 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1conc1C1CC1 ZINC001080415503 993042195 /nfs/dbraw/zinc/04/21/95/993042195.db2.gz VMVINLOSMJWFGA-AUUYWEPGSA-N 1 2 367.424 2.793 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1conc1C1CC1 ZINC001080415503 993042202 /nfs/dbraw/zinc/04/22/02/993042202.db2.gz VMVINLOSMJWFGA-AUUYWEPGSA-N 1 2 367.424 2.793 20 30 FFEDLO CC(C)c1cc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)on1 ZINC001080554105 993160434 /nfs/dbraw/zinc/16/04/34/993160434.db2.gz BRLYZCBROBOCHG-VQIMIIECSA-N 1 2 351.450 2.900 20 30 FFEDLO CC(C)c1cc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)on1 ZINC001080554105 993160438 /nfs/dbraw/zinc/16/04/38/993160438.db2.gz BRLYZCBROBOCHG-VQIMIIECSA-N 1 2 351.450 2.900 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001080598675 993217317 /nfs/dbraw/zinc/21/73/17/993217317.db2.gz OSUXFMIDNVNQMZ-BEAPCOKYSA-N 1 2 369.918 2.714 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001080598675 993217319 /nfs/dbraw/zinc/21/73/19/993217319.db2.gz OSUXFMIDNVNQMZ-BEAPCOKYSA-N 1 2 369.918 2.714 20 30 FFEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001080631229 993231639 /nfs/dbraw/zinc/23/16/39/993231639.db2.gz KAKWUHBSNDIOOX-FZKQIMNGSA-N 1 2 370.884 2.782 20 30 FFEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001080631229 993231646 /nfs/dbraw/zinc/23/16/46/993231646.db2.gz KAKWUHBSNDIOOX-FZKQIMNGSA-N 1 2 370.884 2.782 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cccc2nc[nH]c21 ZINC001080655093 993249174 /nfs/dbraw/zinc/24/91/74/993249174.db2.gz YIRDPHQSGBONDS-AUUYWEPGSA-N 1 2 359.433 2.685 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cccc2nc[nH]c21 ZINC001080655093 993249178 /nfs/dbraw/zinc/24/91/78/993249178.db2.gz YIRDPHQSGBONDS-AUUYWEPGSA-N 1 2 359.433 2.685 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)nc2OCCC)C1 ZINC001080696090 993286660 /nfs/dbraw/zinc/28/66/60/993286660.db2.gz MUYKTFAUTZAGJL-MLGOLLRUSA-N 1 2 351.878 2.981 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)nc2OCCC)C1 ZINC001080696090 993286665 /nfs/dbraw/zinc/28/66/65/993286665.db2.gz MUYKTFAUTZAGJL-MLGOLLRUSA-N 1 2 351.878 2.981 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccnc2OCC(C)C)C1 ZINC001080801978 993364832 /nfs/dbraw/zinc/36/48/32/993364832.db2.gz QWKYNCGEFORNSP-CZUORRHYSA-N 1 2 351.878 2.919 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccnc2OCC(C)C)C1 ZINC001080801978 993364837 /nfs/dbraw/zinc/36/48/37/993364837.db2.gz QWKYNCGEFORNSP-CZUORRHYSA-N 1 2 351.878 2.919 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3F)C[C@H]2C)nc1 ZINC001080808361 993367907 /nfs/dbraw/zinc/36/79/07/993367907.db2.gz WANPKTJMCGFIRB-BFUOFWGJSA-N 1 2 355.388 2.591 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3F)C[C@H]2C)nc1 ZINC001080808361 993367910 /nfs/dbraw/zinc/36/79/10/993367910.db2.gz WANPKTJMCGFIRB-BFUOFWGJSA-N 1 2 355.388 2.591 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(N(C)C)cc2)C1 ZINC001080843732 993430002 /nfs/dbraw/zinc/43/00/02/993430002.db2.gz VEFLVXKPONPJEB-MLGOLLRUSA-N 1 2 366.303 2.711 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(N(C)C)cc2)C1 ZINC001080843732 993430006 /nfs/dbraw/zinc/43/00/06/993430006.db2.gz VEFLVXKPONPJEB-MLGOLLRUSA-N 1 2 366.303 2.711 20 30 FFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1ccc(=O)[nH]c1 ZINC001080885395 993456124 /nfs/dbraw/zinc/45/61/24/993456124.db2.gz MPKJYHZIOZEORJ-RDTXWAMCSA-N 1 2 369.852 2.542 20 30 FFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1ccc(=O)[nH]c1 ZINC001080885395 993456127 /nfs/dbraw/zinc/45/61/27/993456127.db2.gz MPKJYHZIOZEORJ-RDTXWAMCSA-N 1 2 369.852 2.542 20 30 FFEDLO Cc1nsc(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001081012414 993536254 /nfs/dbraw/zinc/53/62/54/993536254.db2.gz RPRMJCNWEMAVPH-SJKOYZFVSA-N 1 2 354.479 2.882 20 30 FFEDLO Cc1nsc(C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001081012414 993536258 /nfs/dbraw/zinc/53/62/58/993536258.db2.gz RPRMJCNWEMAVPH-SJKOYZFVSA-N 1 2 354.479 2.882 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(OC)c(OC)cc2C)C1 ZINC001080985604 993539364 /nfs/dbraw/zinc/53/93/64/993539364.db2.gz TZZBRYHFCCSCOW-IUODEOHRSA-N 1 2 352.862 2.815 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(OC)c(OC)cc2C)C1 ZINC001080985604 993539365 /nfs/dbraw/zinc/53/93/65/993539365.db2.gz TZZBRYHFCCSCOW-IUODEOHRSA-N 1 2 352.862 2.815 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC1=CCCCC1 ZINC001081443610 993848608 /nfs/dbraw/zinc/84/86/08/993848608.db2.gz KLSNQCZYVLVFBV-NHCUHLMSSA-N 1 2 352.478 2.744 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC1=CCCCC1 ZINC001081443610 993848613 /nfs/dbraw/zinc/84/86/13/993848613.db2.gz KLSNQCZYVLVFBV-NHCUHLMSSA-N 1 2 352.478 2.744 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001081974960 994079935 /nfs/dbraw/zinc/07/99/35/994079935.db2.gz JYWKAPWBEHBYFG-JDYRRTIPSA-N 1 2 367.493 2.700 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001081974960 994079949 /nfs/dbraw/zinc/07/99/49/994079949.db2.gz JYWKAPWBEHBYFG-JDYRRTIPSA-N 1 2 367.493 2.700 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCCC1(C)C ZINC001082036576 994113906 /nfs/dbraw/zinc/11/39/06/994113906.db2.gz RDDCXAOZVADNPX-VAMGGRTRSA-N 1 2 354.494 2.680 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCCC1(C)C ZINC001082036576 994113912 /nfs/dbraw/zinc/11/39/12/994113912.db2.gz RDDCXAOZVADNPX-VAMGGRTRSA-N 1 2 354.494 2.680 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2OC)CC1 ZINC001082098246 994157039 /nfs/dbraw/zinc/15/70/39/994157039.db2.gz YARSHYAEDQXJQL-WOJBJXKFSA-N 1 2 353.466 2.620 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2OC)CC1 ZINC001082098246 994157047 /nfs/dbraw/zinc/15/70/47/994157047.db2.gz YARSHYAEDQXJQL-WOJBJXKFSA-N 1 2 353.466 2.620 20 30 FFEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000880481199 1015847993 /nfs/dbraw/zinc/84/79/93/1015847993.db2.gz OBZFABFVPMOGJO-INIZCTEOSA-N 1 2 371.506 2.727 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CC12CCCC2 ZINC001082302708 994349525 /nfs/dbraw/zinc/34/95/25/994349525.db2.gz SVZKDKOWGVLXEH-QXAKKESOSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CC12CCCC2 ZINC001082302708 994349532 /nfs/dbraw/zinc/34/95/32/994349532.db2.gz SVZKDKOWGVLXEH-QXAKKESOSA-N 1 2 371.456 2.593 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1)CO2 ZINC001053951186 1015914391 /nfs/dbraw/zinc/91/43/91/1015914391.db2.gz RTEXMRBWXJCONQ-SLFFLAALSA-N 1 2 354.494 2.943 20 30 FFEDLO CCN(CC)C(=O)CO[NH+]=C(N)c1ccc(COc2ccccc2F)cc1 ZINC000747832750 995599738 /nfs/dbraw/zinc/59/97/38/995599738.db2.gz VIQPBJUHOPKQQI-UHFFFAOYSA-N 1 2 373.428 2.910 20 30 FFEDLO C=CCOc1ccc(/C=C\C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1OC ZINC000727751130 995941013 /nfs/dbraw/zinc/94/10/13/995941013.db2.gz KOUIQBXGGHQVGN-ALCCZGGFSA-N 1 2 366.417 2.958 20 30 FFEDLO Cc1cccc(C(=O)N2CCO[C@@H]3C[N@H+](CC#Cc4ccccc4)C[C@@H]32)c1 ZINC001082987898 995982556 /nfs/dbraw/zinc/98/25/56/995982556.db2.gz ZJJNWMLHNNZNOD-FCHUYYIVSA-N 1 2 360.457 2.572 20 30 FFEDLO Cc1cccc(C(=O)N2CCO[C@@H]3C[N@@H+](CC#Cc4ccccc4)C[C@@H]32)c1 ZINC001082987898 995982560 /nfs/dbraw/zinc/98/25/60/995982560.db2.gz ZJJNWMLHNNZNOD-FCHUYYIVSA-N 1 2 360.457 2.572 20 30 FFEDLO CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001083002052 995999304 /nfs/dbraw/zinc/99/93/04/995999304.db2.gz QMVJPEAQPWJRCD-ZWKOTPCHSA-N 1 2 359.445 2.545 20 30 FFEDLO CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001083002052 995999310 /nfs/dbraw/zinc/99/93/10/995999310.db2.gz QMVJPEAQPWJRCD-ZWKOTPCHSA-N 1 2 359.445 2.545 20 30 FFEDLO O=C(/C=C/C1CC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC001083034294 996031761 /nfs/dbraw/zinc/03/17/61/996031761.db2.gz WRCHIVDOVKUVRR-GUKSKWGUSA-N 1 2 370.880 2.569 20 30 FFEDLO O=C(/C=C/C1CC1)N1CCO[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC001083034294 996031764 /nfs/dbraw/zinc/03/17/64/996031764.db2.gz WRCHIVDOVKUVRR-GUKSKWGUSA-N 1 2 370.880 2.569 20 30 FFEDLO CC1(C)CC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001083170259 996135285 /nfs/dbraw/zinc/13/52/85/996135285.db2.gz WSFGPNGOHKRVLJ-YTQUADARSA-N 1 2 371.456 2.545 20 30 FFEDLO CC1(C)CC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001083170259 996135288 /nfs/dbraw/zinc/13/52/88/996135288.db2.gz WSFGPNGOHKRVLJ-YTQUADARSA-N 1 2 371.456 2.545 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1coc(C)n1 ZINC001049488693 1016018298 /nfs/dbraw/zinc/01/82/98/1016018298.db2.gz ZXTSJTCKLDAKAS-XWSJACJDSA-N 1 2 359.470 2.530 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1coc(C)n1 ZINC001049488693 1016018307 /nfs/dbraw/zinc/01/83/07/1016018307.db2.gz ZXTSJTCKLDAKAS-XWSJACJDSA-N 1 2 359.470 2.530 20 30 FFEDLO O=C(c1ccon1)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084210931 996298420 /nfs/dbraw/zinc/29/84/20/996298420.db2.gz DESCKGRRKGPSOR-CRAIPNDOSA-N 1 2 355.825 2.526 20 30 FFEDLO O=C(c1ccon1)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084210931 996298424 /nfs/dbraw/zinc/29/84/24/996298424.db2.gz DESCKGRRKGPSOR-CRAIPNDOSA-N 1 2 355.825 2.526 20 30 FFEDLO CCc1ocnc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084246738 996351077 /nfs/dbraw/zinc/35/10/77/996351077.db2.gz FEYFUNSXIVRSII-IUODEOHRSA-N 1 2 356.451 2.517 20 30 FFEDLO CCc1ocnc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084246738 996351083 /nfs/dbraw/zinc/35/10/83/996351083.db2.gz FEYFUNSXIVRSII-IUODEOHRSA-N 1 2 356.451 2.517 20 30 FFEDLO O=C(c1cocn1)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084230814 996379404 /nfs/dbraw/zinc/37/94/04/996379404.db2.gz IAPQEFNOMKIZKO-CRAIPNDOSA-N 1 2 355.825 2.526 20 30 FFEDLO O=C(c1cocn1)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084230814 996379411 /nfs/dbraw/zinc/37/94/11/996379411.db2.gz IAPQEFNOMKIZKO-CRAIPNDOSA-N 1 2 355.825 2.526 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccc(F)nc4)[C@@H]3C2)cc1F ZINC001084236538 996386914 /nfs/dbraw/zinc/38/69/14/996386914.db2.gz JAAJQKQQRATROQ-SJLPKXTDSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(F)nc4)[C@@H]3C2)cc1F ZINC001084236538 996386916 /nfs/dbraw/zinc/38/69/16/996386916.db2.gz JAAJQKQQRATROQ-SJLPKXTDSA-N 1 2 368.387 2.578 20 30 FFEDLO Cc1[nH]ccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084267148 996411875 /nfs/dbraw/zinc/41/18/75/996411875.db2.gz MHALJFKBHBABNB-VQIMIIECSA-N 1 2 352.413 2.680 20 30 FFEDLO Cc1[nH]ccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084267148 996411877 /nfs/dbraw/zinc/41/18/77/996411877.db2.gz MHALJFKBHBABNB-VQIMIIECSA-N 1 2 352.413 2.680 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C(C)(C)C)nc3C)[C@@H]2C1 ZINC001084336638 996465680 /nfs/dbraw/zinc/46/56/80/996465680.db2.gz ABQRLSDTEPPZRF-GDBMZVCRSA-N 1 2 350.894 2.845 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C(C)(C)C)nc3C)[C@@H]2C1 ZINC001084336638 996465683 /nfs/dbraw/zinc/46/56/83/996465683.db2.gz ABQRLSDTEPPZRF-GDBMZVCRSA-N 1 2 350.894 2.845 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ncoc3C(C)C)C[C@H]21 ZINC001084353663 996480837 /nfs/dbraw/zinc/48/08/37/996480837.db2.gz YCCLIRSNUHXEBI-RWQQGDIJSA-N 1 2 373.497 2.812 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ncoc3C(C)C)C[C@H]21 ZINC001084353663 996480843 /nfs/dbraw/zinc/48/08/43/996480843.db2.gz YCCLIRSNUHXEBI-RWQQGDIJSA-N 1 2 373.497 2.812 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCN(C)c4ccccc43)[C@@H]2C1 ZINC001084417713 996517459 /nfs/dbraw/zinc/51/74/59/996517459.db2.gz AQOQLKTWIAKWEU-SZVBFZGTSA-N 1 2 359.901 2.895 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCN(C)c4ccccc43)[C@@H]2C1 ZINC001084417713 996517462 /nfs/dbraw/zinc/51/74/62/996517462.db2.gz AQOQLKTWIAKWEU-SZVBFZGTSA-N 1 2 359.901 2.895 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)[C@@H]2C1 ZINC001084494177 996615662 /nfs/dbraw/zinc/61/56/62/996615662.db2.gz WUMBRZAYRSLJAW-RHSMWYFYSA-N 1 2 358.873 2.781 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)[C@@H]2C1 ZINC001084494177 996615668 /nfs/dbraw/zinc/61/56/68/996615668.db2.gz WUMBRZAYRSLJAW-RHSMWYFYSA-N 1 2 358.873 2.781 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4ccnc4c3)[C@@H]2C1 ZINC001084514359 996651266 /nfs/dbraw/zinc/65/12/66/996651266.db2.gz OTHIMESNJZRWJT-WOJBJXKFSA-N 1 2 371.444 2.552 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4ccnc4c3)[C@@H]2C1 ZINC001084514359 996651268 /nfs/dbraw/zinc/65/12/68/996651268.db2.gz OTHIMESNJZRWJT-WOJBJXKFSA-N 1 2 371.444 2.552 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCN(c4ccccc4)C3=O)C[C@H]21 ZINC001084578053 996692986 /nfs/dbraw/zinc/69/29/86/996692986.db2.gz HKXKMBDRUFBVSR-NZSAHSFTSA-N 1 2 367.493 2.537 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+]([C@H]3CCN(c4ccccc4)C3=O)C[C@H]21 ZINC001084578053 996692990 /nfs/dbraw/zinc/69/29/90/996692990.db2.gz HKXKMBDRUFBVSR-NZSAHSFTSA-N 1 2 367.493 2.537 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)c3ccccc3)C[C@H]21 ZINC001084634692 996748307 /nfs/dbraw/zinc/74/83/07/996748307.db2.gz AVZSLBMVJONMDK-JUXOCIIHSA-N 1 2 369.509 2.784 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)c3ccccc3)C[C@H]21 ZINC001084634692 996748311 /nfs/dbraw/zinc/74/83/11/996748311.db2.gz AVZSLBMVJONMDK-JUXOCIIHSA-N 1 2 369.509 2.784 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 ZINC000730280028 997056449 /nfs/dbraw/zinc/05/64/49/997056449.db2.gz XPWIBXBFDXHKBH-KRWDZBQOSA-N 1 2 351.406 2.876 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 ZINC000730280028 997056460 /nfs/dbraw/zinc/05/64/60/997056460.db2.gz XPWIBXBFDXHKBH-KRWDZBQOSA-N 1 2 351.406 2.876 20 30 FFEDLO COc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)o1 ZINC001084737198 997125999 /nfs/dbraw/zinc/12/59/99/997125999.db2.gz YSSBHXNNMZQBPA-NVXWUHKLSA-N 1 2 369.396 2.645 20 30 FFEDLO COc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)o1 ZINC001084737198 997126002 /nfs/dbraw/zinc/12/60/02/997126002.db2.gz YSSBHXNNMZQBPA-NVXWUHKLSA-N 1 2 369.396 2.645 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)c(C)o1 ZINC001084737668 997128048 /nfs/dbraw/zinc/12/80/48/997128048.db2.gz VNHZIXFHWVONEC-IEBWSBKVSA-N 1 2 367.424 2.629 20 30 FFEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)c(C)o1 ZINC001084737668 997128056 /nfs/dbraw/zinc/12/80/56/997128056.db2.gz VNHZIXFHWVONEC-IEBWSBKVSA-N 1 2 367.424 2.629 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(F)cc(F)c4)C[C@H]32)cn1 ZINC001084783624 997330694 /nfs/dbraw/zinc/33/06/94/997330694.db2.gz AWLGSSALUCKMFF-OXQOHEQNSA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(F)cc(F)c4)C[C@H]32)cn1 ZINC001084783624 997330706 /nfs/dbraw/zinc/33/07/06/997330706.db2.gz AWLGSSALUCKMFF-OXQOHEQNSA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(F)ccc4F)C[C@H]32)cn1 ZINC001084783935 997332587 /nfs/dbraw/zinc/33/25/87/997332587.db2.gz RYVIATJQCQLDTI-FOIQADDNSA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(F)ccc4F)C[C@H]32)cn1 ZINC001084783935 997332593 /nfs/dbraw/zinc/33/25/93/997332593.db2.gz RYVIATJQCQLDTI-FOIQADDNSA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(F)ccc4F)C[C@H]32)nc1 ZINC001084783175 997353095 /nfs/dbraw/zinc/35/30/95/997353095.db2.gz DBMPRQAMWVAYJG-FOIQADDNSA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(F)ccc4F)C[C@H]32)nc1 ZINC001084783175 997353107 /nfs/dbraw/zinc/35/31/07/997353107.db2.gz DBMPRQAMWVAYJG-FOIQADDNSA-N 1 2 367.399 2.688 20 30 FFEDLO C/C(=C\C(=O)NC1C[NH+](C(C)C)C1)C(=O)c1ccc(Br)cc1 ZINC001143887076 997782473 /nfs/dbraw/zinc/78/24/73/997782473.db2.gz STSIFFORVAKADD-XYOKQWHBSA-N 1 2 365.271 2.787 20 30 FFEDLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844368958 997843462 /nfs/dbraw/zinc/84/34/62/997843462.db2.gz UMLYBXMBGDSHTK-SJCJKPOMSA-N 1 2 359.376 2.829 20 30 FFEDLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844368958 997843474 /nfs/dbraw/zinc/84/34/74/997843474.db2.gz UMLYBXMBGDSHTK-SJCJKPOMSA-N 1 2 359.376 2.829 20 30 FFEDLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368962 997843901 /nfs/dbraw/zinc/84/39/01/997843901.db2.gz UMLYBXMBGDSHTK-YVEFUNNKSA-N 1 2 359.376 2.829 20 30 FFEDLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368962 997843911 /nfs/dbraw/zinc/84/39/11/997843911.db2.gz UMLYBXMBGDSHTK-YVEFUNNKSA-N 1 2 359.376 2.829 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)C3(C(F)F)CC3)C[C@@H]21 ZINC001084939527 998209438 /nfs/dbraw/zinc/20/94/38/998209438.db2.gz UYKTYEUCEMSFCX-NEPJUHHUSA-N 1 2 363.246 2.863 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3(C(F)F)CC3)C[C@@H]21 ZINC001084939527 998209446 /nfs/dbraw/zinc/20/94/46/998209446.db2.gz UYKTYEUCEMSFCX-NEPJUHHUSA-N 1 2 363.246 2.863 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CCO[C@@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@@H]21 ZINC001091052504 998366115 /nfs/dbraw/zinc/36/61/15/998366115.db2.gz ANPLUVLFTNTRJM-RBUKOAKNSA-N 1 2 370.497 2.586 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N(CC=C)CC=C)cc1 ZINC000732061082 998433376 /nfs/dbraw/zinc/43/33/76/998433376.db2.gz FYPOZTOKWWCNEL-IBGZPJMESA-N 1 2 351.450 2.537 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N(CC=C)CC=C)cc1 ZINC000732061082 998433383 /nfs/dbraw/zinc/43/33/83/998433383.db2.gz FYPOZTOKWWCNEL-IBGZPJMESA-N 1 2 351.450 2.537 20 30 FFEDLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)N(CCC#N)c1ccccc1 ZINC000845278878 998462316 /nfs/dbraw/zinc/46/23/16/998462316.db2.gz WUEAZMDNIYLMOF-JKSUJKDBSA-N 1 2 354.410 2.713 20 30 FFEDLO C[C@H](CC(=O)O[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)n1cc[nH+]c1 ZINC000845282506 998463625 /nfs/dbraw/zinc/46/36/25/998463625.db2.gz WZBVYKXDPYXYOJ-BHEGOAEISA-N 1 2 360.458 2.697 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000732203777 998545585 /nfs/dbraw/zinc/54/55/85/998545585.db2.gz IGMLKLURDRCWTD-HXUWFJFHSA-N 1 2 365.477 2.947 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3CCC)[C@H]2C1 ZINC001085023941 998701414 /nfs/dbraw/zinc/70/14/14/998701414.db2.gz GHHXXXXWEONRNU-FUHIMQAGSA-N 1 2 359.518 2.713 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3CCC)[C@H]2C1 ZINC001085023941 998701416 /nfs/dbraw/zinc/70/14/16/998701416.db2.gz GHHXXXXWEONRNU-FUHIMQAGSA-N 1 2 359.518 2.713 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1coc(C)n1 ZINC001049776980 1016259312 /nfs/dbraw/zinc/25/93/12/1016259312.db2.gz FVWHEQAIJYTVRD-RDGPPVDQSA-N 1 2 359.470 2.530 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1coc(C)n1 ZINC001049776980 1016259318 /nfs/dbraw/zinc/25/93/18/1016259318.db2.gz FVWHEQAIJYTVRD-RDGPPVDQSA-N 1 2 359.470 2.530 20 30 FFEDLO C[C@@]1(CNc2cccc(F)c2C#N)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001065508437 999117709 /nfs/dbraw/zinc/11/77/09/999117709.db2.gz KBQZTLMWIWCFGG-JZKQVHKSSA-N 1 2 367.428 2.875 20 30 FFEDLO C[C@@]1(CNc2cccc(F)c2C#N)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001065508437 999117712 /nfs/dbraw/zinc/11/77/12/999117712.db2.gz KBQZTLMWIWCFGG-JZKQVHKSSA-N 1 2 367.428 2.875 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C2CC2)no1 ZINC001085601336 999584434 /nfs/dbraw/zinc/58/44/34/999584434.db2.gz UPMBYOQGTQLECD-SUMDDJOVSA-N 1 2 359.470 2.566 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C2CC2)no1 ZINC001085601336 999584438 /nfs/dbraw/zinc/58/44/38/999584438.db2.gz UPMBYOQGTQLECD-SUMDDJOVSA-N 1 2 359.470 2.566 20 30 FFEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001085604514 999592822 /nfs/dbraw/zinc/59/28/22/999592822.db2.gz JUPKOJAYHMHQKJ-AYOQOUSVSA-N 1 2 366.490 2.851 20 30 FFEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001085604514 999592827 /nfs/dbraw/zinc/59/28/27/999592827.db2.gz JUPKOJAYHMHQKJ-AYOQOUSVSA-N 1 2 366.490 2.851 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1nc2ccccc2o1 ZINC001085869592 999666505 /nfs/dbraw/zinc/66/65/05/999666505.db2.gz VRRJSVQQFUQJKX-FTRWYGJKSA-N 1 2 369.465 2.842 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1nc2ccccc2o1 ZINC001085869592 999666507 /nfs/dbraw/zinc/66/65/07/999666507.db2.gz VRRJSVQQFUQJKX-FTRWYGJKSA-N 1 2 369.465 2.842 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741353872 999723655 /nfs/dbraw/zinc/72/36/55/999723655.db2.gz RDPDBWYKMPUIAY-RXVVDRJESA-N 1 2 371.481 2.639 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741353872 999723658 /nfs/dbraw/zinc/72/36/58/999723658.db2.gz RDPDBWYKMPUIAY-RXVVDRJESA-N 1 2 371.481 2.639 20 30 FFEDLO C#CC[N@H+](CC#CC)Cc1cc(=O)oc2cc(NC(=O)OCC)ccc12 ZINC000744409611 999856126 /nfs/dbraw/zinc/85/61/26/999856126.db2.gz AEJLIPFALKYLHB-UHFFFAOYSA-N 1 2 352.390 2.820 20 30 FFEDLO C#CC[N@@H+](CC#CC)Cc1cc(=O)oc2cc(NC(=O)OCC)ccc12 ZINC000744409611 999856128 /nfs/dbraw/zinc/85/61/28/999856128.db2.gz AEJLIPFALKYLHB-UHFFFAOYSA-N 1 2 352.390 2.820 20 30 FFEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@]4(C3)OCc3ccccc34)c1=O)CCC2 ZINC000766634647 1000033699 /nfs/dbraw/zinc/03/36/99/1000033699.db2.gz NLYUTGCWPJOBJM-JOCHJYFZSA-N 1 2 361.445 2.688 20 30 FFEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@]4(C3)OCc3ccccc34)c1=O)CCC2 ZINC000766634647 1000033701 /nfs/dbraw/zinc/03/37/01/1000033701.db2.gz NLYUTGCWPJOBJM-JOCHJYFZSA-N 1 2 361.445 2.688 20 30 FFEDLO COC(=O)n1ncc(C#N)c1Nc1c(Br)ccc2[nH+]ccn21 ZINC001169969191 1000088975 /nfs/dbraw/zinc/08/89/75/1000088975.db2.gz YXSSKJHDNNBLCM-UHFFFAOYSA-N 1 2 361.159 2.523 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C)C2 ZINC001108864205 1000120527 /nfs/dbraw/zinc/12/05/27/1000120527.db2.gz CTAHRZOHANTMLF-IKGGRYGDSA-N 1 2 373.522 2.592 20 30 FFEDLO C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C)C2 ZINC001108864205 1000120528 /nfs/dbraw/zinc/12/05/28/1000120528.db2.gz CTAHRZOHANTMLF-IKGGRYGDSA-N 1 2 373.522 2.592 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(C)=O)C2 ZINC001108925844 1000130883 /nfs/dbraw/zinc/13/08/83/1000130883.db2.gz GNOXBGSGUGSTPH-QYZOEREBSA-N 1 2 369.465 2.548 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(C)=O)C2 ZINC001108925844 1000130884 /nfs/dbraw/zinc/13/08/84/1000130884.db2.gz GNOXBGSGUGSTPH-QYZOEREBSA-N 1 2 369.465 2.548 20 30 FFEDLO CC(=NNC(=S)Nc1ccccn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000767805798 1000144775 /nfs/dbraw/zinc/14/47/75/1000144775.db2.gz IZIWZOQJMZSESW-QGZVFWFLSA-N 1 2 369.494 2.645 20 30 FFEDLO CC(=NNC(=S)Nc1ccccn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000767805798 1000144776 /nfs/dbraw/zinc/14/47/76/1000144776.db2.gz IZIWZOQJMZSESW-QGZVFWFLSA-N 1 2 369.494 2.645 20 30 FFEDLO CCCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1OC ZINC001108990938 1000145346 /nfs/dbraw/zinc/14/53/46/1000145346.db2.gz CFGBMELJSUHERJ-SQNIBIBYSA-N 1 2 373.522 2.932 20 30 FFEDLO CCCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1OC ZINC001108990938 1000145347 /nfs/dbraw/zinc/14/53/47/1000145347.db2.gz CFGBMELJSUHERJ-SQNIBIBYSA-N 1 2 373.522 2.932 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1c(F)cccc1F ZINC001109065696 1000158322 /nfs/dbraw/zinc/15/83/22/1000158322.db2.gz NQCDBTMHPSNUKZ-RMHZUWNSSA-N 1 2 350.409 2.950 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1c(F)cccc1F ZINC001109065696 1000158323 /nfs/dbraw/zinc/15/83/23/1000158323.db2.gz NQCDBTMHPSNUKZ-RMHZUWNSSA-N 1 2 350.409 2.950 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(Cl)ccc1OC ZINC001109072523 1000161861 /nfs/dbraw/zinc/16/18/61/1000161861.db2.gz HKEGDNQWFUZFTQ-IKGGRYGDSA-N 1 2 364.873 2.773 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(Cl)ccc1OC ZINC001109072523 1000161863 /nfs/dbraw/zinc/16/18/63/1000161863.db2.gz HKEGDNQWFUZFTQ-IKGGRYGDSA-N 1 2 364.873 2.773 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(F)c1 ZINC001109204188 1000185673 /nfs/dbraw/zinc/18/56/73/1000185673.db2.gz GNEYRZZTIFPVQH-JYYRGQEPSA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(F)c1 ZINC001109204188 1000185676 /nfs/dbraw/zinc/18/56/76/1000185676.db2.gz GNEYRZZTIFPVQH-JYYRGQEPSA-N 1 2 350.409 2.513 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC001109272434 1000214901 /nfs/dbraw/zinc/21/49/01/1000214901.db2.gz JCSPJHZFCRYZQL-YVSFHVDLSA-N 1 2 373.497 2.795 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC001109272434 1000214907 /nfs/dbraw/zinc/21/49/07/1000214907.db2.gz JCSPJHZFCRYZQL-YVSFHVDLSA-N 1 2 373.497 2.795 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(Cl)ccc1F ZINC001109273567 1000215873 /nfs/dbraw/zinc/21/58/73/1000215873.db2.gz JMXIVPLGFQRHHC-NJAFHUGGSA-N 1 2 364.848 2.741 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(Cl)ccc1F ZINC001109273567 1000215877 /nfs/dbraw/zinc/21/58/77/1000215877.db2.gz JMXIVPLGFQRHHC-NJAFHUGGSA-N 1 2 364.848 2.741 20 30 FFEDLO Cc1nc(N[C@@H]2CCCC[C@H]2NC(=O)C[C@@H](C)n2cc[nH+]c2)ccc1C#N ZINC001091296237 1000382599 /nfs/dbraw/zinc/38/25/99/1000382599.db2.gz WANSPPFCJGKQJP-ZTFGCOKTSA-N 1 2 366.469 2.949 20 30 FFEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001146220306 1000640527 /nfs/dbraw/zinc/64/05/27/1000640527.db2.gz CSPJFTUMZMIILA-VQTJNVASSA-N 1 2 374.444 2.995 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001109566402 1000652287 /nfs/dbraw/zinc/65/22/87/1000652287.db2.gz AYJKWISVRRXSOM-NDUPCHFUSA-N 1 2 361.486 2.742 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001109566402 1000652290 /nfs/dbraw/zinc/65/22/90/1000652290.db2.gz AYJKWISVRRXSOM-NDUPCHFUSA-N 1 2 361.486 2.742 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCC1 ZINC001109591156 1000687320 /nfs/dbraw/zinc/68/73/20/1000687320.db2.gz SZHBWWJEMMCZIQ-SQNIBIBYSA-N 1 2 361.530 2.759 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCC1 ZINC001109591156 1000687326 /nfs/dbraw/zinc/68/73/26/1000687326.db2.gz SZHBWWJEMMCZIQ-SQNIBIBYSA-N 1 2 361.530 2.759 20 30 FFEDLO C[C@H](NC(=O)C(=O)/C=C\c1ccc(F)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC001146577056 1000705274 /nfs/dbraw/zinc/70/52/74/1000705274.db2.gz WEHGWNSCYCHGEL-HWYHOQROSA-N 1 2 374.456 2.558 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)c1ccccc1 ZINC001109683477 1000839668 /nfs/dbraw/zinc/83/96/68/1000839668.db2.gz MXPLBICXVIPHLN-GHDARCQNSA-N 1 2 369.509 2.973 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001109683477 1000839676 /nfs/dbraw/zinc/83/96/76/1000839676.db2.gz MXPLBICXVIPHLN-GHDARCQNSA-N 1 2 369.509 2.973 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000770590569 1000847639 /nfs/dbraw/zinc/84/76/39/1000847639.db2.gz XBBDNOAJBUBONW-CYBMUJFWSA-N 1 2 357.389 2.873 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091626509 1000867667 /nfs/dbraw/zinc/86/76/67/1000867667.db2.gz JWQRAIJAXXNDAY-VNQPRFMTSA-N 1 2 360.506 2.545 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](CNc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC001054666864 1016465479 /nfs/dbraw/zinc/46/54/79/1016465479.db2.gz RXTVALWFQUOCSA-NWGLXNPWSA-N 1 2 358.486 2.663 20 30 FFEDLO Cc1nc(N2CC[C@H](c3ccc(F)cc3)[C@H](NC(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001091724316 1001160743 /nfs/dbraw/zinc/16/07/43/1001160743.db2.gz RFVHLIDTNAMQHP-MORSLUCNSA-N 1 2 367.428 2.563 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C3CC3)s1)C2 ZINC001109973461 1001230802 /nfs/dbraw/zinc/23/08/02/1001230802.db2.gz GTURCNAQOJWAOO-OJLVUWQFSA-N 1 2 373.522 2.651 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C3CC3)s1)C2 ZINC001109973461 1001230808 /nfs/dbraw/zinc/23/08/08/1001230808.db2.gz GTURCNAQOJWAOO-OJLVUWQFSA-N 1 2 373.522 2.651 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CCN1c1cccc(F)c1C#N ZINC001091836282 1001924802 /nfs/dbraw/zinc/92/48/02/1001924802.db2.gz OQHCVGHRQRMUAZ-DLBZAZTESA-N 1 2 369.444 2.537 20 30 FFEDLO CCc1oncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001097960516 1016556128 /nfs/dbraw/zinc/55/61/28/1016556128.db2.gz ZTLAPODBTDUAIZ-OLMNPRSZSA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1oncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001097960516 1016556134 /nfs/dbraw/zinc/55/61/34/1016556134.db2.gz ZTLAPODBTDUAIZ-OLMNPRSZSA-N 1 2 368.412 2.783 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CCC4)no3)C[C@@]2(C)C1 ZINC001091918851 1002068388 /nfs/dbraw/zinc/06/83/88/1002068388.db2.gz PHVLFDMSIOYKGC-QRWLVFNGSA-N 1 2 358.486 2.830 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CCC4)no3)C[C@@]2(C)C1 ZINC001091918851 1002068395 /nfs/dbraw/zinc/06/83/95/1002068395.db2.gz PHVLFDMSIOYKGC-QRWLVFNGSA-N 1 2 358.486 2.830 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nccn3C(F)F)C[C@@]2(C)C1 ZINC001091917595 1002070354 /nfs/dbraw/zinc/07/03/54/1002070354.db2.gz YOIPTBMSWJJJOT-ACJLOTCBSA-N 1 2 352.429 2.771 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nccn3C(F)F)C[C@@]2(C)C1 ZINC001091917595 1002070363 /nfs/dbraw/zinc/07/03/63/1002070363.db2.gz YOIPTBMSWJJJOT-ACJLOTCBSA-N 1 2 352.429 2.771 20 30 FFEDLO Cc1cc(N(C(N)=[NH2+])C(=O)C[C@@H](C#N)c2c(Cl)cccc2Cl)n[nH]1 ZINC001183132035 1002158963 /nfs/dbraw/zinc/15/89/63/1002158963.db2.gz HAWZXEAFBOMEQM-VIFPVBQESA-N 1 2 365.224 2.949 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3CCC)C[C@@]2(C)C1 ZINC001091977913 1002238435 /nfs/dbraw/zinc/23/84/35/1002238435.db2.gz AFLTUEOQAMJCGK-AHRSYUTCSA-N 1 2 359.518 2.571 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3CCC)C[C@@]2(C)C1 ZINC001091977913 1002238438 /nfs/dbraw/zinc/23/84/38/1002238438.db2.gz AFLTUEOQAMJCGK-AHRSYUTCSA-N 1 2 359.518 2.571 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C(C)C)[nH]4)C[C@@]3(C)C2)CC1 ZINC001091978770 1002240014 /nfs/dbraw/zinc/24/00/14/1002240014.db2.gz FOESARPSAOMRTF-UTKZUKDTSA-N 1 2 371.529 2.955 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C(C)C)[nH]4)C[C@@]3(C)C2)CC1 ZINC001091978770 1002240021 /nfs/dbraw/zinc/24/00/21/1002240021.db2.gz FOESARPSAOMRTF-UTKZUKDTSA-N 1 2 371.529 2.955 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001092031539 1002246051 /nfs/dbraw/zinc/24/60/51/1002246051.db2.gz NCLQDSXEZWIMSC-SYNHAJSKSA-N 1 2 360.502 2.714 20 30 FFEDLO N#C[C@H](Cc1ccc(O)cc1)C(=O)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001183610062 1002315228 /nfs/dbraw/zinc/31/52/28/1002315228.db2.gz TUIFZMHAQRNYIE-GHTZIAJQSA-N 1 2 361.445 2.516 20 30 FFEDLO N#C[C@H](Cc1ccc(O)cc1)C(=O)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001183610062 1002315242 /nfs/dbraw/zinc/31/52/42/1002315242.db2.gz TUIFZMHAQRNYIE-GHTZIAJQSA-N 1 2 361.445 2.516 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@@H+](Cc3cccc(C(C)(C)C)c3O)C[C@@]2(F)C1=O ZINC001276249098 1016614323 /nfs/dbraw/zinc/61/43/23/1016614323.db2.gz QSVNJWMUKMZSKH-VQTJNVASSA-N 1 2 364.436 2.950 20 30 FFEDLO C=CCN1C[C@@]2(F)C[N@H+](Cc3cccc(C(C)(C)C)c3O)C[C@@]2(F)C1=O ZINC001276249098 1016614329 /nfs/dbraw/zinc/61/43/29/1016614329.db2.gz QSVNJWMUKMZSKH-VQTJNVASSA-N 1 2 364.436 2.950 20 30 FFEDLO CN(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N)[C@H]1CC[C@H](O)CC1 ZINC001183828082 1002400676 /nfs/dbraw/zinc/40/06/76/1002400676.db2.gz CPMUWHJQFJVKIU-VAMGGRTRSA-N 1 2 355.482 2.675 20 30 FFEDLO CN(C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N)[C@H]1CC[C@H](O)CC1 ZINC001183828082 1002400681 /nfs/dbraw/zinc/40/06/81/1002400681.db2.gz CPMUWHJQFJVKIU-VAMGGRTRSA-N 1 2 355.482 2.675 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCc2ncccc2C1 ZINC001183830762 1002403205 /nfs/dbraw/zinc/40/32/05/1002403205.db2.gz HQVUCEUUSMXIPM-OAQYLSRUSA-N 1 2 360.461 2.893 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCc2ncccc2C1 ZINC001183830762 1002403208 /nfs/dbraw/zinc/40/32/08/1002403208.db2.gz HQVUCEUUSMXIPM-OAQYLSRUSA-N 1 2 360.461 2.893 20 30 FFEDLO C=C(C)CN1CC2(C[NH+](Cc3cccc(C(C)(C)C)c3O)C2)OCC1=O ZINC001276248770 1016617907 /nfs/dbraw/zinc/61/79/07/1016617907.db2.gz NJGFZXFDOZFQHQ-UHFFFAOYSA-N 1 2 358.482 2.679 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N(C)C)cc1F)C2 ZINC001095530650 1016647703 /nfs/dbraw/zinc/64/77/03/1016647703.db2.gz SBPVJXNEGJVISJ-COXVUDFISA-N 1 2 351.853 2.979 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N(C)C)cc1F)C2 ZINC001095530650 1016647715 /nfs/dbraw/zinc/64/77/15/1016647715.db2.gz SBPVJXNEGJVISJ-COXVUDFISA-N 1 2 351.853 2.979 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cccc(F)n2)C1 ZINC001092314658 1002663797 /nfs/dbraw/zinc/66/37/97/1002663797.db2.gz PXRLYCNGAOFKNU-HZPDHXFCSA-N 1 2 369.444 2.554 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cc(C)ncn2)C1 ZINC001092315634 1002668434 /nfs/dbraw/zinc/66/84/34/1002668434.db2.gz KOTRMNARYVLAHA-BRWVUGGUSA-N 1 2 368.485 2.527 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C)nn2)C1 ZINC001092315582 1002668457 /nfs/dbraw/zinc/66/84/57/1002668457.db2.gz HJVDASCBIGQGOC-USXIJHARSA-N 1 2 368.485 2.527 20 30 FFEDLO N#Cc1ccc(NC(=O)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)cc1 ZINC001184724770 1002704461 /nfs/dbraw/zinc/70/44/61/1002704461.db2.gz BWUIZPGHXXFPHC-KRWDZBQOSA-N 1 2 365.437 2.845 20 30 FFEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccsc1)c1nccn12 ZINC001092378761 1002758226 /nfs/dbraw/zinc/75/82/26/1002758226.db2.gz QVYUPXJRQRHEIG-XHSDSOJGSA-N 1 2 354.479 2.506 20 30 FFEDLO N#Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)c2ccsc2)CC1 ZINC001185408470 1002947804 /nfs/dbraw/zinc/94/78/04/1002947804.db2.gz JALWKHPYOLZHDM-UHFFFAOYSA-N 1 2 361.492 2.563 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110366224 1003013608 /nfs/dbraw/zinc/01/36/08/1003013608.db2.gz MOERGPBUHBVOLE-JRJVTICQSA-N 1 2 371.456 2.900 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110366224 1003013618 /nfs/dbraw/zinc/01/36/18/1003013618.db2.gz MOERGPBUHBVOLE-JRJVTICQSA-N 1 2 371.456 2.900 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110366226 1003013837 /nfs/dbraw/zinc/01/38/37/1003013837.db2.gz MOSKTKWBLDEUSN-XLNTUCKNSA-N 1 2 353.466 2.761 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110366226 1003013848 /nfs/dbraw/zinc/01/38/48/1003013848.db2.gz MOSKTKWBLDEUSN-XLNTUCKNSA-N 1 2 353.466 2.761 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cnon3)C[C@H]2c2ccccc2)C1 ZINC001086607991 1003026773 /nfs/dbraw/zinc/02/67/73/1003026773.db2.gz GUCSZFOJPMYTBE-ZWKOTPCHSA-N 1 2 352.438 2.510 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3cnon3)C[C@H]2c2ccccc2)C1 ZINC001086607991 1003026786 /nfs/dbraw/zinc/02/67/86/1003026786.db2.gz GUCSZFOJPMYTBE-ZWKOTPCHSA-N 1 2 352.438 2.510 20 30 FFEDLO CC[C@@H](C)CC[C@@H](O)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000792834641 1003200686 /nfs/dbraw/zinc/20/06/86/1003200686.db2.gz UVALFJWOSVBFJE-YLJYHZDGSA-N 1 2 357.498 2.780 20 30 FFEDLO C=C[C@](C)(CC)C(=O)NCC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC001092578079 1003248838 /nfs/dbraw/zinc/24/88/38/1003248838.db2.gz IGRVDUZXKIIZHB-STXHMFSFSA-N 1 2 370.501 2.544 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc3ccccc3o2)c1 ZINC001096932531 1016756029 /nfs/dbraw/zinc/75/60/29/1016756029.db2.gz YZZUEIJWFKZBSR-UNEWFSDZSA-N 1 2 361.405 2.563 20 30 FFEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc3ccccc3o2)c1 ZINC001096932531 1016756043 /nfs/dbraw/zinc/75/60/43/1016756043.db2.gz YZZUEIJWFKZBSR-UNEWFSDZSA-N 1 2 361.405 2.563 20 30 FFEDLO Cc1nc(N2CC[C@@]3(CNC(=O)[C@H](C)C#N)CCC[C@@H]23)c2c([nH+]1)CCCC2 ZINC001092687403 1003385946 /nfs/dbraw/zinc/38/59/46/1003385946.db2.gz VVNVYFPNGHPKJS-CFCCAZDESA-N 1 2 367.497 2.689 20 30 FFEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C2CC2)n1 ZINC001092812793 1003602550 /nfs/dbraw/zinc/60/25/50/1003602550.db2.gz HMVRWXDSQXPHSV-SQNIBIBYSA-N 1 2 370.497 2.871 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)c1cncc(F)c1 ZINC001096946751 1016807968 /nfs/dbraw/zinc/80/79/68/1016807968.db2.gz WVEUIDFEGVBFGJ-AQNXPRMDSA-N 1 2 367.399 2.747 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)c1cncc(F)c1 ZINC001096946751 1016807978 /nfs/dbraw/zinc/80/79/78/1016807978.db2.gz WVEUIDFEGVBFGJ-AQNXPRMDSA-N 1 2 367.399 2.747 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2n2ccnn2)CCCC1 ZINC001129490812 1003675750 /nfs/dbraw/zinc/67/57/50/1003675750.db2.gz PFCCLFUELZGSPG-ZZQZRYSSSA-N 1 2 363.893 2.509 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2n2ccnn2)CCCC1 ZINC001129490812 1003675753 /nfs/dbraw/zinc/67/57/53/1003675753.db2.gz PFCCLFUELZGSPG-ZZQZRYSSSA-N 1 2 363.893 2.509 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cncnc2CC)C1 ZINC001086624624 1003752569 /nfs/dbraw/zinc/75/25/69/1003752569.db2.gz NMBXLVGLHAVXKV-PKOBYXMFSA-N 1 2 370.884 2.989 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cncnc2CC)C1 ZINC001086624624 1003752574 /nfs/dbraw/zinc/75/25/74/1003752574.db2.gz NMBXLVGLHAVXKV-PKOBYXMFSA-N 1 2 370.884 2.989 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C[C@H]1O ZINC001191645942 1003914047 /nfs/dbraw/zinc/91/40/47/1003914047.db2.gz SPIOXXDZNAEWFR-USXIJHARSA-N 1 2 355.438 2.530 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C[C@H]1O ZINC001191645942 1003914050 /nfs/dbraw/zinc/91/40/50/1003914050.db2.gz SPIOXXDZNAEWFR-USXIJHARSA-N 1 2 355.438 2.530 20 30 FFEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC001197041503 1004043898 /nfs/dbraw/zinc/04/38/98/1004043898.db2.gz NNEPJIVBERISPK-UHFFFAOYSA-N 1 2 350.397 2.900 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)c1 ZINC001192236885 1004104188 /nfs/dbraw/zinc/10/41/88/1004104188.db2.gz BADMJLOXGCIHNI-YZGWKJHDSA-N 1 2 367.493 2.575 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H]2CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)c1 ZINC001192236885 1004104198 /nfs/dbraw/zinc/10/41/98/1004104198.db2.gz BADMJLOXGCIHNI-YZGWKJHDSA-N 1 2 367.493 2.575 20 30 FFEDLO N#CCc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1 ZINC001130372084 1004127774 /nfs/dbraw/zinc/12/77/74/1004127774.db2.gz KGQRCHGSPGNBIX-UHFFFAOYSA-N 1 2 361.361 2.777 20 30 FFEDLO C[C@H]1CC[N@H+](CCOc2ccc(C#N)cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805785377 1004131719 /nfs/dbraw/zinc/13/17/19/1004131719.db2.gz HHICIYUMRYWQAI-XEZPLFJOSA-N 1 2 369.387 2.714 20 30 FFEDLO C[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805785377 1004131725 /nfs/dbraw/zinc/13/17/25/1004131725.db2.gz HHICIYUMRYWQAI-XEZPLFJOSA-N 1 2 369.387 2.714 20 30 FFEDLO CCC[C@@H](CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001197267782 1004148684 /nfs/dbraw/zinc/14/86/84/1004148684.db2.gz YMAXTZJEPJSRTN-BHIYHBOVSA-N 1 2 362.901 2.679 20 30 FFEDLO CCC[C@@H](CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001197267782 1004148690 /nfs/dbraw/zinc/14/86/90/1004148690.db2.gz YMAXTZJEPJSRTN-BHIYHBOVSA-N 1 2 362.901 2.679 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3c2c(F)ccc3F)C[C@H]1O ZINC001193337318 1004455281 /nfs/dbraw/zinc/45/52/81/1004455281.db2.gz OGFZAYOIJDFCEV-IXDOHACOSA-N 1 2 364.436 2.716 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCc3c2c(F)ccc3F)C[C@H]1O ZINC001193337318 1004455284 /nfs/dbraw/zinc/45/52/84/1004455284.db2.gz OGFZAYOIJDFCEV-IXDOHACOSA-N 1 2 364.436 2.716 20 30 FFEDLO C#Cc1cncc(C(=O)N2CC[N@@H+](Cc3ccccc3OCC)C[C@@H]2C)c1 ZINC000807473767 1004613846 /nfs/dbraw/zinc/61/38/46/1004613846.db2.gz NJWWJVLBZFVHPF-KRWDZBQOSA-N 1 2 363.461 2.808 20 30 FFEDLO C#Cc1cncc(C(=O)N2CC[N@H+](Cc3ccccc3OCC)C[C@@H]2C)c1 ZINC000807473767 1004613855 /nfs/dbraw/zinc/61/38/55/1004613855.db2.gz NJWWJVLBZFVHPF-KRWDZBQOSA-N 1 2 363.461 2.808 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)C1CC1 ZINC001110516464 1004689561 /nfs/dbraw/zinc/68/95/61/1004689561.db2.gz WOQAELMNGIXBHI-ZRNYENFQSA-N 1 2 372.896 2.838 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)C1CC1 ZINC001110516464 1004689569 /nfs/dbraw/zinc/68/95/69/1004689569.db2.gz WOQAELMNGIXBHI-ZRNYENFQSA-N 1 2 372.896 2.838 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCOCC1)C2 ZINC001097019506 1016906241 /nfs/dbraw/zinc/90/62/41/1016906241.db2.gz FYKLMLDGXMUAHN-OBZTUIKSSA-N 1 2 353.466 2.596 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCOCC1)C2 ZINC001097019506 1016906252 /nfs/dbraw/zinc/90/62/52/1016906252.db2.gz FYKLMLDGXMUAHN-OBZTUIKSSA-N 1 2 353.466 2.596 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(OCCCCC)cc2)C1 ZINC001194690927 1004793768 /nfs/dbraw/zinc/79/37/68/1004793768.db2.gz KQIASVURDMQTNN-QGZVFWFLSA-N 1 2 364.511 2.632 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(OCCCCC)cc2)C1 ZINC001194690927 1004793771 /nfs/dbraw/zinc/79/37/71/1004793771.db2.gz KQIASVURDMQTNN-QGZVFWFLSA-N 1 2 364.511 2.632 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ns3)C[C@H]2O)CCCCC1 ZINC001198944104 1004802200 /nfs/dbraw/zinc/80/22/00/1004802200.db2.gz AOYWKQROQHFHCF-IAGOWNOFSA-N 1 2 363.527 2.639 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ns3)C[C@H]2O)CCCCC1 ZINC001198944104 1004802205 /nfs/dbraw/zinc/80/22/05/1004802205.db2.gz AOYWKQROQHFHCF-IAGOWNOFSA-N 1 2 363.527 2.639 20 30 FFEDLO Cc1cc(C#N)cc(C(=O)N2CC[NH+](Cc3c[nH]c4ncccc34)CC2)c1 ZINC001195419907 1004966272 /nfs/dbraw/zinc/96/62/72/1004966272.db2.gz CCZPCTYWXDXYQG-UHFFFAOYSA-N 1 2 359.433 2.701 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1O ZINC001195554864 1004982266 /nfs/dbraw/zinc/98/22/66/1004982266.db2.gz RFTBNYVFDHIEHN-CDHQVMDDSA-N 1 2 369.465 2.605 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1O ZINC001195554864 1004982275 /nfs/dbraw/zinc/98/22/75/1004982275.db2.gz RFTBNYVFDHIEHN-CDHQVMDDSA-N 1 2 369.465 2.605 20 30 FFEDLO Cc1nn(C)c(Cl)c1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110543548 1005045181 /nfs/dbraw/zinc/04/51/81/1005045181.db2.gz XNLPIEZMHBEWIT-BMFZPTHFSA-N 1 2 362.905 2.653 20 30 FFEDLO Cc1nn(C)c(Cl)c1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110543548 1005045186 /nfs/dbraw/zinc/04/51/86/1005045186.db2.gz XNLPIEZMHBEWIT-BMFZPTHFSA-N 1 2 362.905 2.653 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1sccc1Cl ZINC001110546054 1005071523 /nfs/dbraw/zinc/07/15/23/1005071523.db2.gz KMKKJXGSEFDDEY-GBOPCIDUSA-N 1 2 352.887 2.661 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1sccc1Cl ZINC001110546054 1005071528 /nfs/dbraw/zinc/07/15/28/1005071528.db2.gz KMKKJXGSEFDDEY-GBOPCIDUSA-N 1 2 352.887 2.661 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)c1F ZINC001110553194 1005113790 /nfs/dbraw/zinc/11/37/90/1005113790.db2.gz BNROQUMEOYCMIJ-OIISXLGYSA-N 1 2 364.848 2.741 20 30 FFEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)c1F ZINC001110553194 1005113792 /nfs/dbraw/zinc/11/37/92/1005113792.db2.gz BNROQUMEOYCMIJ-OIISXLGYSA-N 1 2 364.848 2.741 20 30 FFEDLO Cc1cnccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001097048442 1016947256 /nfs/dbraw/zinc/94/72/56/1016947256.db2.gz FARFLLQREQUSLT-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cnccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001097048442 1016947267 /nfs/dbraw/zinc/94/72/67/1016947267.db2.gz FARFLLQREQUSLT-AHRSYUTCSA-N 1 2 364.424 2.936 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C1CC1 ZINC001110569271 1005257256 /nfs/dbraw/zinc/25/72/56/1005257256.db2.gz IBTAQXUJNZACCN-YSTOQKLRSA-N 1 2 353.466 2.595 20 30 FFEDLO CCO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C1CC1 ZINC001110569271 1005257261 /nfs/dbraw/zinc/25/72/61/1005257261.db2.gz IBTAQXUJNZACCN-YSTOQKLRSA-N 1 2 353.466 2.595 20 30 FFEDLO C#CCCCCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2noc(C(C)(C)C)n2)C1 ZINC001488908082 1005375411 /nfs/dbraw/zinc/37/54/11/1005375411.db2.gz PDWPCBIZZBSXNK-JKSUJKDBSA-N 1 2 360.502 2.935 20 30 FFEDLO COc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)c2ccc(F)cc2)c(OC)c1 ZINC000852298172 1005966327 /nfs/dbraw/zinc/96/63/27/1005966327.db2.gz VRWYAGLHVPPOGU-LLVKDONJSA-N 1 2 361.373 2.507 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c(C)o1 ZINC001098021337 1017010746 /nfs/dbraw/zinc/01/07/46/1017010746.db2.gz IKHYYCDGDIPEDA-KURKYZTESA-N 1 2 364.449 2.952 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c(C)o1 ZINC001098021337 1017010760 /nfs/dbraw/zinc/01/07/60/1017010760.db2.gz IKHYYCDGDIPEDA-KURKYZTESA-N 1 2 364.449 2.952 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001187216417 1005983158 /nfs/dbraw/zinc/98/31/58/1005983158.db2.gz BEIHRAYRSOJWEW-ZRGWGRIASA-N 1 2 364.436 2.979 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001187216417 1005983167 /nfs/dbraw/zinc/98/31/67/1005983167.db2.gz BEIHRAYRSOJWEW-ZRGWGRIASA-N 1 2 364.436 2.979 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(Cl)nc3)C[C@H]21 ZINC001187217689 1005985619 /nfs/dbraw/zinc/98/56/19/1005985619.db2.gz UDZWMRCYBOTPDN-BHYGNILZSA-N 1 2 363.889 2.749 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(Cl)nc3)C[C@H]21 ZINC001187217689 1005985627 /nfs/dbraw/zinc/98/56/27/1005985627.db2.gz UDZWMRCYBOTPDN-BHYGNILZSA-N 1 2 363.889 2.749 20 30 FFEDLO COC[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001187304910 1006027472 /nfs/dbraw/zinc/02/74/72/1006027472.db2.gz PJABKWBBOIYSNA-VDZJLULYSA-N 1 2 360.885 2.507 20 30 FFEDLO COC[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001187304910 1006027484 /nfs/dbraw/zinc/02/74/84/1006027484.db2.gz PJABKWBBOIYSNA-VDZJLULYSA-N 1 2 360.885 2.507 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000852521063 1006062836 /nfs/dbraw/zinc/06/28/36/1006062836.db2.gz SELZETUKGJLEBI-HBMCJLEFSA-N 1 2 364.445 2.870 20 30 FFEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000852521063 1006062842 /nfs/dbraw/zinc/06/28/42/1006062842.db2.gz SELZETUKGJLEBI-HBMCJLEFSA-N 1 2 364.445 2.870 20 30 FFEDLO CS[C@H](C)CC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187561926 1006154091 /nfs/dbraw/zinc/15/40/91/1006154091.db2.gz UWEGNMOBVXRSQS-QIIPPGSGSA-N 1 2 361.486 2.872 20 30 FFEDLO CS[C@H](C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187561926 1006154098 /nfs/dbraw/zinc/15/40/98/1006154098.db2.gz UWEGNMOBVXRSQS-QIIPPGSGSA-N 1 2 361.486 2.872 20 30 FFEDLO Cc1ccc(N2CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c(C)c1 ZINC000852742862 1006164457 /nfs/dbraw/zinc/16/44/57/1006164457.db2.gz ONOJSUGUJFTUGZ-NQIIRXRSSA-N 1 2 356.514 2.868 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001050502847 1017029327 /nfs/dbraw/zinc/02/93/27/1017029327.db2.gz QSOVUKPAVZGNOE-UZLBHIALSA-N 1 2 362.477 2.709 20 30 FFEDLO CO[C@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])C1CCCC1 ZINC000853000454 1006270938 /nfs/dbraw/zinc/27/09/38/1006270938.db2.gz MJMIVYGWTKTTDU-GOSISDBHSA-N 1 2 368.481 2.851 20 30 FFEDLO Cn1c2ccccc2nc1C[N@@H+]1C[C@@H]2CCN(C(=O)C#CC(C)(C)C)[C@@H]2C1 ZINC001187833033 1006288196 /nfs/dbraw/zinc/28/81/96/1006288196.db2.gz FZUROMMMTGQPJK-QFBILLFUSA-N 1 2 364.493 2.656 20 30 FFEDLO Cn1c2ccccc2nc1C[N@H+]1C[C@@H]2CCN(C(=O)C#CC(C)(C)C)[C@@H]2C1 ZINC001187833033 1006288204 /nfs/dbraw/zinc/28/82/04/1006288204.db2.gz FZUROMMMTGQPJK-QFBILLFUSA-N 1 2 364.493 2.656 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC001187881937 1006306007 /nfs/dbraw/zinc/30/60/07/1006306007.db2.gz ICCBOSCKKUWLMV-GRDNDAEWSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC001187881937 1006306017 /nfs/dbraw/zinc/30/60/17/1006306017.db2.gz ICCBOSCKKUWLMV-GRDNDAEWSA-N 1 2 364.848 2.550 20 30 FFEDLO C=CC1CC[NH+](CN2C(=O)N[C@](c3ccccc3)(C(F)(F)F)C2=O)CC1 ZINC000111166275 1006336465 /nfs/dbraw/zinc/33/64/65/1006336465.db2.gz UZDABHXXMZWGPW-KRWDZBQOSA-N 1 2 367.371 2.852 20 30 FFEDLO COc1c(C)c[nH+]c(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c1C ZINC000815154437 1006522233 /nfs/dbraw/zinc/52/22/33/1006522233.db2.gz CEEXXNBGEFEYEG-UHFFFAOYSA-N 1 2 364.327 2.923 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)CCC(F)F)[C@@H]2C1 ZINC001188585894 1006639052 /nfs/dbraw/zinc/63/90/52/1006639052.db2.gz ZRBDONITLBAYJT-XJKSGUPXSA-N 1 2 351.372 2.775 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)CCC(F)F)[C@@H]2C1 ZINC001188585894 1006639056 /nfs/dbraw/zinc/63/90/56/1006639056.db2.gz ZRBDONITLBAYJT-XJKSGUPXSA-N 1 2 351.372 2.775 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(Oc2ccc(C(C)C)cc2)CC1 ZINC000884094408 1007233579 /nfs/dbraw/zinc/23/35/79/1007233579.db2.gz KIOSKVKNWVXLJO-IBGZPJMESA-N 1 2 374.481 2.626 20 30 FFEDLO C=CCOc1cccnc1C(=O)OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817185669 1007466604 /nfs/dbraw/zinc/46/66/04/1007466604.db2.gz ICZXSWVGKMFCNO-UHFFFAOYSA-N 1 2 368.433 2.836 20 30 FFEDLO C=C(C)Cc1ccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC001190216337 1007529967 /nfs/dbraw/zinc/52/99/67/1007529967.db2.gz HIDVGLPITMSJKS-UHFFFAOYSA-N 1 2 354.454 2.586 20 30 FFEDLO C=C[C@@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3cnns3)C[C@H]21)c1ccccc1 ZINC001190305717 1007561188 /nfs/dbraw/zinc/56/11/88/1007561188.db2.gz UYPHKRHDOQFQER-VDZJLULYSA-N 1 2 368.506 2.931 20 30 FFEDLO C=C[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3cnns3)C[C@H]21)c1ccccc1 ZINC001190305717 1007561198 /nfs/dbraw/zinc/56/11/98/1007561198.db2.gz UYPHKRHDOQFQER-VDZJLULYSA-N 1 2 368.506 2.931 20 30 FFEDLO C=C[C@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]21)c1ccccc1 ZINC001190280879 1007568331 /nfs/dbraw/zinc/56/83/31/1007568331.db2.gz BNISSHQIADQSKM-SLYNCCJLSA-N 1 2 364.493 2.813 20 30 FFEDLO C=C[C@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]21)c1ccccc1 ZINC001190280879 1007568333 /nfs/dbraw/zinc/56/83/33/1007568333.db2.gz BNISSHQIADQSKM-SLYNCCJLSA-N 1 2 364.493 2.813 20 30 FFEDLO CO[C@@H](C[NH+]1CCN(C(=O)c2cccc(C#N)c2F)CC1)c1ccccc1 ZINC001190538143 1007686149 /nfs/dbraw/zinc/68/61/49/1007686149.db2.gz UUEBCOATLLGMPP-IBGZPJMESA-N 1 2 367.424 2.843 20 30 FFEDLO CC(C)n1cc2c(n1)[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)CCC2 ZINC000819219666 1008076675 /nfs/dbraw/zinc/07/66/75/1008076675.db2.gz FMQFHOBRSPUAFZ-GOSISDBHSA-N 1 2 372.494 2.777 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(OCC(=O)N(C)C)c1 ZINC000820629483 1008352808 /nfs/dbraw/zinc/35/28/08/1008352808.db2.gz LBLPOAFNLGVNDV-UHFFFAOYSA-N 1 2 367.449 2.953 20 30 FFEDLO COC(=O)c1ccc(C(=[NH2+])Nc2ccccc2C(=O)N2CCCC2)cc1 ZINC001170985485 1008586852 /nfs/dbraw/zinc/58/68/52/1008586852.db2.gz UIIKEQGADUZOKD-UHFFFAOYSA-N 1 2 351.406 2.746 20 30 FFEDLO COC(=O)c1ccc(C(N)=[NH+]c2cccn(-c3ccccc3F)c2=O)cc1 ZINC001170989376 1008656684 /nfs/dbraw/zinc/65/66/84/1008656684.db2.gz RQMSOKQVWUNELN-UHFFFAOYSA-N 1 2 365.364 2.800 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)CCCC1 ZINC001110212592 1008688312 /nfs/dbraw/zinc/68/83/12/1008688312.db2.gz GBGQHLYLLKLWLO-IKGGRYGDSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)CCCC1 ZINC001110212592 1008688317 /nfs/dbraw/zinc/68/83/17/1008688317.db2.gz GBGQHLYLLKLWLO-IKGGRYGDSA-N 1 2 361.530 2.759 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)ns1 ZINC001095359897 1008970362 /nfs/dbraw/zinc/97/03/62/1008970362.db2.gz RNJHWPHNUGIRPX-WPGHFRTFSA-N 1 2 358.492 2.920 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)ns1 ZINC001095359897 1008970374 /nfs/dbraw/zinc/97/03/74/1008970374.db2.gz RNJHWPHNUGIRPX-WPGHFRTFSA-N 1 2 358.492 2.920 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001092948117 1009416890 /nfs/dbraw/zinc/41/68/90/1009416890.db2.gz VDQSKFOHEVDSLG-HPBDAGMYSA-N 1 2 358.486 2.609 20 30 FFEDLO CN(C)c1ccc(C#N)cc1C[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001180184433 1009576763 /nfs/dbraw/zinc/57/67/63/1009576763.db2.gz OSONXJJRTHXTGG-UHFFFAOYSA-N 1 2 358.392 2.973 20 30 FFEDLO CN(C)c1ccc(C#N)cc1C[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001180184433 1009576778 /nfs/dbraw/zinc/57/67/78/1009576778.db2.gz OSONXJJRTHXTGG-UHFFFAOYSA-N 1 2 358.392 2.973 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)on2)C[C@H]1C ZINC001206778858 1032422010 /nfs/dbraw/zinc/42/20/10/1032422010.db2.gz NCFWEPDGZNLUCK-NVXWUHKLSA-N 1 2 363.502 2.891 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)on2)C[C@H]1C ZINC001206778858 1032422012 /nfs/dbraw/zinc/42/20/12/1032422012.db2.gz NCFWEPDGZNLUCK-NVXWUHKLSA-N 1 2 363.502 2.891 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001206782310 1032423403 /nfs/dbraw/zinc/42/34/03/1032423403.db2.gz MQNVMZBZERJIQQ-GDBMZVCRSA-N 1 2 351.516 2.625 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001206782310 1032423406 /nfs/dbraw/zinc/42/34/06/1032423406.db2.gz MQNVMZBZERJIQQ-GDBMZVCRSA-N 1 2 351.516 2.625 20 30 FFEDLO COc1cccc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)c1OC(F)F ZINC000862420959 1009833516 /nfs/dbraw/zinc/83/35/16/1009833516.db2.gz CSEHIMFWMYFPNY-UHFFFAOYSA-N 1 2 374.391 2.885 20 30 FFEDLO Cc1ncc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)n1-c1ccccc1 ZINC000862421638 1009834489 /nfs/dbraw/zinc/83/44/89/1009834489.db2.gz BJCKAYUWEXTEIR-UHFFFAOYSA-N 1 2 358.449 2.770 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC(F)F)C3)c1 ZINC001110823199 1009905849 /nfs/dbraw/zinc/90/58/49/1009905849.db2.gz LQUBQTNWRJEZDZ-BMFZPTHFSA-N 1 2 351.372 2.964 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC(F)F)C3)c1 ZINC001110823199 1009905855 /nfs/dbraw/zinc/90/58/55/1009905855.db2.gz LQUBQTNWRJEZDZ-BMFZPTHFSA-N 1 2 351.372 2.964 20 30 FFEDLO CCCC[C@H](CNc1ncccc1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001114327092 1010101601 /nfs/dbraw/zinc/10/16/01/1010101601.db2.gz ILHIEFXXXJIBLO-BZUAXINKSA-N 1 2 352.442 2.567 20 30 FFEDLO CCCC[C@H](CNc1ncccc1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001114327092 1010101608 /nfs/dbraw/zinc/10/16/08/1010101608.db2.gz ILHIEFXXXJIBLO-BZUAXINKSA-N 1 2 352.442 2.567 20 30 FFEDLO C[C@]1(c2ccccn2)CC(=O)N(C[N@@H+]2CCc3c(CC#N)cccc3C2)C1 ZINC000863335416 1010183184 /nfs/dbraw/zinc/18/31/84/1010183184.db2.gz GHFXNFQNNOBBSL-QFIPXVFZSA-N 1 2 360.461 2.653 20 30 FFEDLO C[C@]1(c2ccccn2)CC(=O)N(C[N@H+]2CCc3c(CC#N)cccc3C2)C1 ZINC000863335416 1010183191 /nfs/dbraw/zinc/18/31/91/1010183191.db2.gz GHFXNFQNNOBBSL-QFIPXVFZSA-N 1 2 360.461 2.653 20 30 FFEDLO N#Cc1c(F)cccc1C[N@@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000794553729 1010301880 /nfs/dbraw/zinc/30/18/80/1010301880.db2.gz NYCOKOQHWVOFFG-HZPDHXFCSA-N 1 2 361.417 2.567 20 30 FFEDLO N#Cc1c(F)cccc1C[N@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000794553729 1010301899 /nfs/dbraw/zinc/30/18/99/1010301899.db2.gz NYCOKOQHWVOFFG-HZPDHXFCSA-N 1 2 361.417 2.567 20 30 FFEDLO CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000773981491 1010405904 /nfs/dbraw/zinc/40/59/04/1010405904.db2.gz YWLAVLSWIAQKIL-DLBZAZTESA-N 1 2 373.522 2.896 20 30 FFEDLO CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000773981491 1010405909 /nfs/dbraw/zinc/40/59/09/1010405909.db2.gz YWLAVLSWIAQKIL-DLBZAZTESA-N 1 2 373.522 2.896 20 30 FFEDLO C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1cccc(C#N)c1O ZINC000866219493 1010953674 /nfs/dbraw/zinc/95/36/74/1010953674.db2.gz PRKVDJFGQVBZDL-OXJNMPFZSA-N 1 2 351.450 2.988 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2cccc3c2CCOC3)C1 ZINC000866479533 1011001236 /nfs/dbraw/zinc/00/12/36/1011001236.db2.gz VWBZJWMONVPWSS-FUHWJXTLSA-N 1 2 357.454 2.608 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000121984335 1011152564 /nfs/dbraw/zinc/15/25/64/1011152564.db2.gz GHIWUYDIJRTIMH-MRXNPFEDSA-N 1 2 361.461 2.545 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCC(C)(C)CCC#N)C2)c1 ZINC000868614249 1011387987 /nfs/dbraw/zinc/38/79/87/1011387987.db2.gz XJDAXMQPNQAZIT-IBGZPJMESA-N 1 2 372.513 2.825 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NCC(C)(C)CCC#N)C2)c1 ZINC000868614249 1011388002 /nfs/dbraw/zinc/38/80/02/1011388002.db2.gz XJDAXMQPNQAZIT-IBGZPJMESA-N 1 2 372.513 2.825 20 30 FFEDLO CC#CC[C@@H](CO)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000646386226 1011895837 /nfs/dbraw/zinc/89/58/37/1011895837.db2.gz LRYGNNFWNBXXAB-KRWDZBQOSA-N 1 2 352.438 2.782 20 30 FFEDLO C[C@@H](CC#N)[NH2+][C@H]1C[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 ZINC001172704386 1011954914 /nfs/dbraw/zinc/95/49/14/1011954914.db2.gz MUBLNICMTABAMS-IHRRRGAJSA-N 1 2 353.463 2.598 20 30 FFEDLO COCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C#N)ccc2Cl)C1=O ZINC001275234874 1012116749 /nfs/dbraw/zinc/11/67/49/1012116749.db2.gz UBVCGVGZUXQKJH-IBGZPJMESA-N 1 2 361.873 2.815 20 30 FFEDLO COCCCN1CC[C@@]2(CCC[N@H+]2Cc2cc(C#N)ccc2Cl)C1=O ZINC001275234874 1012116759 /nfs/dbraw/zinc/11/67/59/1012116759.db2.gz UBVCGVGZUXQKJH-IBGZPJMESA-N 1 2 361.873 2.815 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2(c3ccccc3)COC2)C[C@H]1C#N ZINC001172968214 1012134235 /nfs/dbraw/zinc/13/42/35/1012134235.db2.gz JMTLGZIYARTJJA-SJORKVTESA-N 1 2 357.454 2.793 20 30 FFEDLO CCOCCN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(C#N)c2Cl)C1=O ZINC001275308879 1012265333 /nfs/dbraw/zinc/26/53/33/1012265333.db2.gz PFPHDZVZYCOLGA-IBGZPJMESA-N 1 2 361.873 2.815 20 30 FFEDLO CCOCCN1CC[C@@]2(CCC[N@H+]2Cc2cccc(C#N)c2Cl)C1=O ZINC001275308879 1012265341 /nfs/dbraw/zinc/26/53/41/1012265341.db2.gz PFPHDZVZYCOLGA-IBGZPJMESA-N 1 2 361.873 2.815 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3cc(Cl)ccc3F)C2)OCC1=O ZINC001275351954 1012345198 /nfs/dbraw/zinc/34/51/98/1012345198.db2.gz XSLKOOIOWYCKFX-SFHVURJKSA-N 1 2 352.837 2.859 20 30 FFEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3cc(Cl)ccc3F)C2)OCC1=O ZINC001275351954 1012345209 /nfs/dbraw/zinc/34/52/09/1012345209.db2.gz XSLKOOIOWYCKFX-SFHVURJKSA-N 1 2 352.837 2.859 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Br)cn1 ZINC001275376532 1012387814 /nfs/dbraw/zinc/38/78/14/1012387814.db2.gz DXKCKTBECNICFJ-HZPDHXFCSA-N 1 2 364.287 2.986 20 30 FFEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Br)cn1 ZINC001275376532 1012387821 /nfs/dbraw/zinc/38/78/21/1012387821.db2.gz DXKCKTBECNICFJ-HZPDHXFCSA-N 1 2 364.287 2.986 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCOc3ccccc3F)[C@@H]2C1 ZINC001221993532 1032628260 /nfs/dbraw/zinc/62/82/60/1032628260.db2.gz LTZOFXQSGHEKDD-GDBMZVCRSA-N 1 2 352.837 2.880 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCOc3ccccc3F)[C@@H]2C1 ZINC001221993532 1032628269 /nfs/dbraw/zinc/62/82/69/1032628269.db2.gz LTZOFXQSGHEKDD-GDBMZVCRSA-N 1 2 352.837 2.880 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)[nH]n1 ZINC001095189950 1012674492 /nfs/dbraw/zinc/67/44/92/1012674492.db2.gz FJODWLYPLGEQMW-AYBZRNKSSA-N 1 2 367.428 2.518 20 30 FFEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)[nH]n1 ZINC001095189950 1012674502 /nfs/dbraw/zinc/67/45/02/1012674502.db2.gz FJODWLYPLGEQMW-AYBZRNKSSA-N 1 2 367.428 2.518 20 30 FFEDLO Cc1ncsc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001095204615 1012688776 /nfs/dbraw/zinc/68/87/76/1012688776.db2.gz WTQDUPZAVUCEPI-UGFHNGPFSA-N 1 2 358.492 2.920 20 30 FFEDLO Cc1ncsc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001095204615 1012688786 /nfs/dbraw/zinc/68/87/86/1012688786.db2.gz WTQDUPZAVUCEPI-UGFHNGPFSA-N 1 2 358.492 2.920 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)c1cnsn1 ZINC001095208048 1012707864 /nfs/dbraw/zinc/70/78/64/1012707864.db2.gz UEIASHBIEFAFKI-VYDXJSESSA-N 1 2 372.881 2.578 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)c1cnsn1 ZINC001095208048 1012707874 /nfs/dbraw/zinc/70/78/74/1012707874.db2.gz UEIASHBIEFAFKI-VYDXJSESSA-N 1 2 372.881 2.578 20 30 FFEDLO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001275624107 1012720055 /nfs/dbraw/zinc/72/00/55/1012720055.db2.gz YQPCOCKQLWACOD-JLTOFOAXSA-N 1 2 357.429 2.632 20 30 FFEDLO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001275624107 1012720066 /nfs/dbraw/zinc/72/00/66/1012720066.db2.gz YQPCOCKQLWACOD-JLTOFOAXSA-N 1 2 357.429 2.632 20 30 FFEDLO Cc1nsc(NCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)c1C#N ZINC001057550766 1017126058 /nfs/dbraw/zinc/12/60/58/1017126058.db2.gz XWCIAMITJVDEAP-ZIAGYGMSSA-N 1 2 370.482 2.501 20 30 FFEDLO Cc1nsc(NCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)c1C#N ZINC001057550766 1017126066 /nfs/dbraw/zinc/12/60/66/1017126066.db2.gz XWCIAMITJVDEAP-ZIAGYGMSSA-N 1 2 370.482 2.501 20 30 FFEDLO Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001097193007 1017172475 /nfs/dbraw/zinc/17/24/75/1017172475.db2.gz YNNSKJAIZMDKSO-ZACQAIPSSA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001097193007 1017172482 /nfs/dbraw/zinc/17/24/82/1017172482.db2.gz YNNSKJAIZMDKSO-ZACQAIPSSA-N 1 2 368.868 2.758 20 30 FFEDLO CCC[C@@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110887449 1017201274 /nfs/dbraw/zinc/20/12/74/1017201274.db2.gz LOCNHPTUOHMLEG-OQIJWPOYSA-N 1 2 359.445 2.734 20 30 FFEDLO CCC[C@@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110887449 1017201280 /nfs/dbraw/zinc/20/12/80/1017201280.db2.gz LOCNHPTUOHMLEG-OQIJWPOYSA-N 1 2 359.445 2.734 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1 ZINC001110887772 1017202577 /nfs/dbraw/zinc/20/25/77/1017202577.db2.gz WHWNSAWKRZIACH-KURKYZTESA-N 1 2 355.482 2.949 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1 ZINC001110887772 1017202590 /nfs/dbraw/zinc/20/25/90/1017202590.db2.gz WHWNSAWKRZIACH-KURKYZTESA-N 1 2 355.482 2.949 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC(F)(F)F)c1)C2 ZINC001097226904 1017221413 /nfs/dbraw/zinc/22/14/13/1017221413.db2.gz AEGCPPDKZZFGBF-UPJWGTAASA-N 1 2 362.783 2.533 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC(F)(F)F)c1)C2 ZINC001097226904 1017221427 /nfs/dbraw/zinc/22/14/27/1017221427.db2.gz AEGCPPDKZZFGBF-UPJWGTAASA-N 1 2 362.783 2.533 20 30 FFEDLO Cc1csc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC#Cc4ccccc4)[C@@H]3C2)n1 ZINC001222038527 1032686725 /nfs/dbraw/zinc/68/67/25/1032686725.db2.gz GAYOPQRDFIRVBR-RTBURBONSA-N 1 2 365.502 2.926 20 30 FFEDLO Cc1csc(C[N@H+]2CC[C@@H]3CN(C(=O)CC#Cc4ccccc4)[C@@H]3C2)n1 ZINC001222038527 1032686732 /nfs/dbraw/zinc/68/67/32/1032686732.db2.gz GAYOPQRDFIRVBR-RTBURBONSA-N 1 2 365.502 2.926 20 30 FFEDLO Cc1cc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nc2)c(C)[nH+]1 ZINC001055269033 1017241651 /nfs/dbraw/zinc/24/16/51/1017241651.db2.gz NVUPRMPOXUNISP-NEWSRXKRSA-N 1 2 361.449 2.813 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4cccc(C)c4o3)[C@@H]2C1 ZINC001222053159 1032703869 /nfs/dbraw/zinc/70/38/69/1032703869.db2.gz HJPTZNOVBZZJPW-QZTJIDSGSA-N 1 2 352.434 2.537 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4cccc(C)c4o3)[C@@H]2C1 ZINC001222053159 1032703880 /nfs/dbraw/zinc/70/38/80/1032703880.db2.gz HJPTZNOVBZZJPW-QZTJIDSGSA-N 1 2 352.434 2.537 20 30 FFEDLO Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccncc2C#N)c(C)[nH+]1 ZINC001055486139 1017587586 /nfs/dbraw/zinc/58/75/86/1017587586.db2.gz QTYPWARDCFLTCO-LMMKCTJWSA-N 1 2 361.449 2.813 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001097568490 1017638989 /nfs/dbraw/zinc/63/89/89/1017638989.db2.gz LZNBUIHUISAOBJ-ZJXIFLPPSA-N 1 2 371.456 2.734 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001097568490 1017638997 /nfs/dbraw/zinc/63/89/97/1017638997.db2.gz LZNBUIHUISAOBJ-ZJXIFLPPSA-N 1 2 371.456 2.734 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)Nc1ccccc1 ZINC001110899871 1017647379 /nfs/dbraw/zinc/64/73/79/1017647379.db2.gz URUYRZFMWRANIA-HPBDAGMYSA-N 1 2 355.482 2.947 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)Nc1ccccc1 ZINC001110899871 1017647382 /nfs/dbraw/zinc/64/73/82/1017647382.db2.gz URUYRZFMWRANIA-HPBDAGMYSA-N 1 2 355.482 2.947 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)c(C)s2)c1 ZINC001097812266 1017974260 /nfs/dbraw/zinc/97/42/60/1017974260.db2.gz BPUJSQDQUFWKRT-KURKYZTESA-N 1 2 366.490 2.672 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)c(C)s2)c1 ZINC001097812266 1017974275 /nfs/dbraw/zinc/97/42/75/1017974275.db2.gz BPUJSQDQUFWKRT-KURKYZTESA-N 1 2 366.490 2.672 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)c1 ZINC001097813439 1017976404 /nfs/dbraw/zinc/97/64/04/1017976404.db2.gz YHKMTMDDEZGOIT-LZQZEXGQSA-N 1 2 362.458 2.531 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)c1 ZINC001097813439 1017976411 /nfs/dbraw/zinc/97/64/11/1017976411.db2.gz YHKMTMDDEZGOIT-LZQZEXGQSA-N 1 2 362.458 2.531 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)cc2F)c1 ZINC001097812717 1017976477 /nfs/dbraw/zinc/97/64/77/1017976477.db2.gz YJVUBZAQXOEQIX-RLLQIKCJSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)cc2F)c1 ZINC001097812717 1017976488 /nfs/dbraw/zinc/97/64/88/1017976488.db2.gz YJVUBZAQXOEQIX-RLLQIKCJSA-N 1 2 367.399 2.876 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncoc1C(C)C ZINC001097880223 1018159302 /nfs/dbraw/zinc/15/93/02/1018159302.db2.gz FUJOFWQHDHKJTE-WGMGUUHVSA-N 1 2 359.470 2.611 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncoc1C(C)C ZINC001097880223 1018159309 /nfs/dbraw/zinc/15/93/09/1018159309.db2.gz FUJOFWQHDHKJTE-WGMGUUHVSA-N 1 2 359.470 2.611 20 30 FFEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](CCNc2cccc(F)c2C#N)C1 ZINC001053413489 1018291997 /nfs/dbraw/zinc/29/19/97/1018291997.db2.gz VAURVGLVAWTKIW-UKRRQHHQSA-N 1 2 369.444 2.868 20 30 FFEDLO CC(C)(C)/C=C\C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001217566074 1032784700 /nfs/dbraw/zinc/78/47/00/1032784700.db2.gz FUMAFWRWXSPRPF-BKXKBDSGSA-N 1 2 352.478 2.552 20 30 FFEDLO CC(C)(C)/C=C\C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001217566074 1032784715 /nfs/dbraw/zinc/78/47/15/1032784715.db2.gz FUMAFWRWXSPRPF-BKXKBDSGSA-N 1 2 352.478 2.552 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N[C@H](C)CC)C[C@H]32)CCCC1 ZINC001222142818 1032785893 /nfs/dbraw/zinc/78/58/93/1032785893.db2.gz SAQYCQCKOJRTSY-KZNAEPCWSA-N 1 2 361.530 2.570 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](CC(=O)N[C@H](C)CC)C[C@H]32)CCCC1 ZINC001222142818 1032785896 /nfs/dbraw/zinc/78/58/96/1032785896.db2.gz SAQYCQCKOJRTSY-KZNAEPCWSA-N 1 2 361.530 2.570 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000827845821 1018796359 /nfs/dbraw/zinc/79/63/59/1018796359.db2.gz VKHIOCFSXLAOEE-LJQANCHMSA-N 1 2 368.481 2.834 20 30 FFEDLO CC(C)(C)OC(=O)NCc1ccc(C=NNCCCn2cc[nH+]c2)cc1 ZINC000901261443 1018881902 /nfs/dbraw/zinc/88/19/02/1018881902.db2.gz ILCDKBBYSNYRPY-UHFFFAOYSA-N 1 2 357.458 2.922 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]2C)nc1 ZINC001042080102 1018946365 /nfs/dbraw/zinc/94/63/65/1018946365.db2.gz JSOJUFYNOLTNCP-RDTXWAMCSA-N 1 2 363.465 2.539 20 30 FFEDLO CCCN1C/C(=C\c2cncn2CC)C(=O)/C(=C\c2c[nH+]cn2CC)C1 ZINC000901416883 1019059145 /nfs/dbraw/zinc/05/91/45/1019059145.db2.gz HCXFOKFTWAYHNJ-VAQFQWRASA-N 1 2 353.470 2.881 20 30 FFEDLO CCCN1C/C(=C\c2c[nH+]cn2CC)C(=O)/C(=C\c2cncn2CC)C1 ZINC000901416883 1019059162 /nfs/dbraw/zinc/05/91/62/1019059162.db2.gz HCXFOKFTWAYHNJ-VAQFQWRASA-N 1 2 353.470 2.881 20 30 FFEDLO Cc1n[nH]c(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001096186008 1019246910 /nfs/dbraw/zinc/24/69/10/1019246910.db2.gz QVZRZOSUYPFVKT-NJAFHUGGSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1n[nH]c(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001096186008 1019246919 /nfs/dbraw/zinc/24/69/19/1019246919.db2.gz QVZRZOSUYPFVKT-NJAFHUGGSA-N 1 2 367.428 2.573 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3[nH]cnc31)C2 ZINC001096219752 1019429980 /nfs/dbraw/zinc/42/99/80/1019429980.db2.gz MRURZGVMKKYONL-UXPWSPDFSA-N 1 2 371.444 2.970 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3[nH]cnc31)C2 ZINC001096219752 1019429987 /nfs/dbraw/zinc/42/99/87/1019429987.db2.gz MRURZGVMKKYONL-UXPWSPDFSA-N 1 2 371.444 2.970 20 30 FFEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N(C)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001043918873 1019602535 /nfs/dbraw/zinc/60/25/35/1019602535.db2.gz YBJFJXOGBNDKDV-YLJYHZDGSA-N 1 2 355.482 2.914 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(OC)cc1F)C2 ZINC001096268005 1019736181 /nfs/dbraw/zinc/73/61/81/1019736181.db2.gz HQEWRWYBNZIIIQ-COXVUDFISA-N 1 2 352.837 2.851 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(OC)cc1F)C2 ZINC001096268005 1019736198 /nfs/dbraw/zinc/73/61/98/1019736198.db2.gz HQEWRWYBNZIIIQ-COXVUDFISA-N 1 2 352.837 2.851 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nc[nH]n3)cc1)C2 ZINC001096280514 1019839919 /nfs/dbraw/zinc/83/99/19/1019839919.db2.gz NZEVDPNNTRTUPN-PMPSAXMXSA-N 1 2 357.845 2.559 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nc[nH]n3)cc1)C2 ZINC001096280514 1019839935 /nfs/dbraw/zinc/83/99/35/1019839935.db2.gz NZEVDPNNTRTUPN-PMPSAXMXSA-N 1 2 357.845 2.559 20 30 FFEDLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)CCCOC1 ZINC001098116835 1019881813 /nfs/dbraw/zinc/88/18/13/1019881813.db2.gz VVBWORUYASWYLZ-RDPOXOKHSA-N 1 2 371.456 2.736 20 30 FFEDLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)CCCOC1 ZINC001098116835 1019881828 /nfs/dbraw/zinc/88/18/28/1019881828.db2.gz VVBWORUYASWYLZ-RDPOXOKHSA-N 1 2 371.456 2.736 20 30 FFEDLO CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C[NH+](C)C)c1 ZINC000930126307 1019882255 /nfs/dbraw/zinc/88/22/55/1019882255.db2.gz NLEVKADKCGKFSV-UHFFFAOYSA-N 1 2 370.474 2.798 20 30 FFEDLO COC(=O)[C@H](OC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccc(C#N)cc1 ZINC000780087099 1019962015 /nfs/dbraw/zinc/96/20/15/1019962015.db2.gz CCCKENHWEIALBT-QZTJIDSGSA-N 1 2 352.390 2.618 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2ncc(CC)o2)CC1 ZINC001045442251 1019969143 /nfs/dbraw/zinc/96/91/43/1019969143.db2.gz QFXKZKXWVUGCQH-SJORKVTESA-N 1 2 361.486 2.689 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[C@H]2Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001045736827 1020107619 /nfs/dbraw/zinc/10/76/19/1020107619.db2.gz ABEMMDHQBZGDNR-IAGOWNOFSA-N 1 2 368.485 2.949 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)cn1 ZINC001096382443 1020304998 /nfs/dbraw/zinc/30/49/98/1020304998.db2.gz LBHYUZWIPIYANU-FSSWDIPSSA-N 1 2 373.431 2.589 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)cn1 ZINC001096382443 1020305011 /nfs/dbraw/zinc/30/50/11/1020305011.db2.gz LBHYUZWIPIYANU-FSSWDIPSSA-N 1 2 373.431 2.589 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001096434755 1020572855 /nfs/dbraw/zinc/57/28/55/1020572855.db2.gz IBNKCEBJJKTIHG-HKBOAZHASA-N 1 2 363.436 2.666 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001096434755 1020572862 /nfs/dbraw/zinc/57/28/62/1020572862.db2.gz IBNKCEBJJKTIHG-HKBOAZHASA-N 1 2 363.436 2.666 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC001046327283 1020590655 /nfs/dbraw/zinc/59/06/55/1020590655.db2.gz JEVNBIAWWJUWPZ-GQIGUUNPSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2ncc(C(C)C)o2)C1 ZINC001046327283 1020590661 /nfs/dbraw/zinc/59/06/61/1020590661.db2.gz JEVNBIAWWJUWPZ-GQIGUUNPSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nocc1C ZINC001074015964 1020625908 /nfs/dbraw/zinc/62/59/08/1020625908.db2.gz ZCJRWUXBLFHKIX-LMMKCTJWSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nocc1C ZINC001074015964 1020625911 /nfs/dbraw/zinc/62/59/11/1020625911.db2.gz ZCJRWUXBLFHKIX-LMMKCTJWSA-N 1 2 361.486 2.777 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001046586761 1020705479 /nfs/dbraw/zinc/70/54/79/1020705479.db2.gz GMRZVCUGILTSLQ-LXTVHRRPSA-N 1 2 367.428 2.541 20 30 FFEDLO C/C(=C\C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C[NH+]1CCOCC1 ZINC000900905407 1020713779 /nfs/dbraw/zinc/71/37/79/1020713779.db2.gz SXQRICLMCXYATD-KSRMRMEDSA-N 1 2 353.466 2.563 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(c3nc4c(s3)CCC4)CC2)cc1 ZINC000932619489 1020851263 /nfs/dbraw/zinc/85/12/63/1020851263.db2.gz NHWPZGXHORUCHD-SFHVURJKSA-N 1 2 366.490 2.909 20 30 FFEDLO CCn1c[nH+]c2c1CCN([C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C2 ZINC000933259529 1020985460 /nfs/dbraw/zinc/98/54/60/1020985460.db2.gz PQDOKQJRAQCVBO-NGEICVOHSA-N 1 2 357.502 2.580 20 30 FFEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)nc1-c1cccnc1 ZINC000749806483 1021039048 /nfs/dbraw/zinc/03/90/48/1021039048.db2.gz MXFGREOKGIFVDX-IAGOWNOFSA-N 1 2 371.510 2.978 20 30 FFEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)nc1-c1cccnc1 ZINC000749806483 1021039052 /nfs/dbraw/zinc/03/90/52/1021039052.db2.gz MXFGREOKGIFVDX-IAGOWNOFSA-N 1 2 371.510 2.978 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000749844785 1021055117 /nfs/dbraw/zinc/05/51/17/1021055117.db2.gz NPPRCIGHKNWNQZ-PBHICJAKSA-N 1 2 372.469 2.826 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000749844785 1021055122 /nfs/dbraw/zinc/05/51/22/1021055122.db2.gz NPPRCIGHKNWNQZ-PBHICJAKSA-N 1 2 372.469 2.826 20 30 FFEDLO CCc1nc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC001098778461 1021136856 /nfs/dbraw/zinc/13/68/56/1021136856.db2.gz JCQRRMDQMRIGIK-LIRRHRJNSA-N 1 2 369.494 2.690 20 30 FFEDLO CCc1nc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC001098778461 1021136860 /nfs/dbraw/zinc/13/68/60/1021136860.db2.gz JCQRRMDQMRIGIK-LIRRHRJNSA-N 1 2 369.494 2.690 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(OC)nc1C ZINC001111072151 1021191755 /nfs/dbraw/zinc/19/17/55/1021191755.db2.gz DKQKOCHORAICLE-ZACQAIPSSA-N 1 2 358.486 2.617 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(OC)nc1C ZINC001111072151 1021191761 /nfs/dbraw/zinc/19/17/61/1021191761.db2.gz DKQKOCHORAICLE-ZACQAIPSSA-N 1 2 358.486 2.617 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nccn1CC)C2 ZINC001098874255 1021288649 /nfs/dbraw/zinc/28/86/49/1021288649.db2.gz BDLXVMCWCULIAN-UWJYYQICSA-N 1 2 367.497 2.675 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nccn1CC)C2 ZINC001098874255 1021288657 /nfs/dbraw/zinc/28/86/57/1021288657.db2.gz BDLXVMCWCULIAN-UWJYYQICSA-N 1 2 367.497 2.675 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(C(F)(F)F)nn3C)[C@H]2C1 ZINC001222432459 1032968740 /nfs/dbraw/zinc/96/87/40/1032968740.db2.gz PHFCDNNCBHQTHD-HIFRSBDPSA-N 1 2 370.419 2.828 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2CC[N@H+](Cc3cc(C(F)(F)F)nn3C)[C@H]2C1 ZINC001222432459 1032968746 /nfs/dbraw/zinc/96/87/46/1032968746.db2.gz PHFCDNNCBHQTHD-HIFRSBDPSA-N 1 2 370.419 2.828 20 30 FFEDLO COc1ccccc1/C=C/C(=O)c1ccccc1O[C@@H]1C[N@@H+]2C[C@H]1NCC2 ZINC001218112399 1033002580 /nfs/dbraw/zinc/00/25/80/1033002580.db2.gz OVFYVGOAUAOHEH-GAPZJSMVSA-N 1 2 364.445 2.626 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nsc3ccccc23)C1 ZINC001014471837 1021844625 /nfs/dbraw/zinc/84/46/25/1021844625.db2.gz RVKHOIRSVBAPGW-LESCRADOSA-N 1 2 371.506 2.968 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nsc3ccccc23)C1 ZINC001014471837 1021844638 /nfs/dbraw/zinc/84/46/38/1021844638.db2.gz RVKHOIRSVBAPGW-LESCRADOSA-N 1 2 371.506 2.968 20 30 FFEDLO COCCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001111213790 1022437218 /nfs/dbraw/zinc/43/72/18/1022437218.db2.gz HMBNXEVDLDWGPZ-QRQLOZEOSA-N 1 2 373.472 2.982 20 30 FFEDLO COCCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001111213790 1022437223 /nfs/dbraw/zinc/43/72/23/1022437223.db2.gz HMBNXEVDLDWGPZ-QRQLOZEOSA-N 1 2 373.472 2.982 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCc1c(F)cccc1F ZINC001038798448 1022712564 /nfs/dbraw/zinc/71/25/64/1022712564.db2.gz OTYXWAVSBQMNBO-ALKREAHSSA-N 1 2 364.436 2.679 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCc1c(F)cccc1F ZINC001038798448 1022712578 /nfs/dbraw/zinc/71/25/78/1022712578.db2.gz OTYXWAVSBQMNBO-ALKREAHSSA-N 1 2 364.436 2.679 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)c(F)c1 ZINC001038807814 1022717358 /nfs/dbraw/zinc/71/73/58/1022717358.db2.gz NAYDAAZTKXZNKM-GJYPPUQNSA-N 1 2 362.445 2.506 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)c(F)c1 ZINC001038807814 1022717371 /nfs/dbraw/zinc/71/73/71/1022717371.db2.gz NAYDAAZTKXZNKM-GJYPPUQNSA-N 1 2 362.445 2.506 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cncc(C)c1 ZINC001039592906 1022767875 /nfs/dbraw/zinc/76/78/75/1022767875.db2.gz APHPRWCOTMZJIF-MHTWAQMVSA-N 1 2 369.509 2.937 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cncc(C)c1 ZINC001039592906 1022767880 /nfs/dbraw/zinc/76/78/80/1022767880.db2.gz APHPRWCOTMZJIF-MHTWAQMVSA-N 1 2 369.509 2.937 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cnoc1C ZINC001039593849 1022770084 /nfs/dbraw/zinc/77/00/84/1022770084.db2.gz YSLRWLKDHOQSJQ-HCXYKTFWSA-N 1 2 359.470 2.530 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cnoc1C ZINC001039593849 1022770096 /nfs/dbraw/zinc/77/00/96/1022770096.db2.gz YSLRWLKDHOQSJQ-HCXYKTFWSA-N 1 2 359.470 2.530 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)Cc1ccc2c(c1)OCO2 ZINC001122440351 1023269533 /nfs/dbraw/zinc/26/95/33/1023269533.db2.gz AQVFWXYQERKMDE-MRXNPFEDSA-N 1 2 369.469 2.986 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)Cc1ccc2c(c1)OCO2 ZINC001122440351 1023269540 /nfs/dbraw/zinc/26/95/40/1023269540.db2.gz AQVFWXYQERKMDE-MRXNPFEDSA-N 1 2 369.469 2.986 20 30 FFEDLO CC[C@@H]1OC(C)=C(Oc2ccc(C[C@H]([NH3+])C(=O)OC(C)(C)C)cc2)C1=O ZINC001218354704 1033120475 /nfs/dbraw/zinc/12/04/75/1033120475.db2.gz VDEVGDMURVPDSE-HOTGVXAUSA-N 1 2 361.438 2.886 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001122566658 1023342627 /nfs/dbraw/zinc/34/26/27/1023342627.db2.gz HRQPLNLFBGBSQL-RTBURBONSA-N 1 2 373.545 2.827 20 30 FFEDLO CC1CCC(N(C(=O)CO[NH+]=C(N)c2ccc3c(c2)CCO3)C2CC2)CC1 ZINC000753829181 1023387184 /nfs/dbraw/zinc/38/71/84/1023387184.db2.gz FXNYPNHUUGRGJN-UHFFFAOYSA-N 1 2 371.481 2.828 20 30 FFEDLO C=C1CCC(C(=O)NCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC000949110686 1023461034 /nfs/dbraw/zinc/46/10/34/1023461034.db2.gz WWKMMDHYHNUXCE-QZTJIDSGSA-N 1 2 370.497 2.614 20 30 FFEDLO C=C1CCC(C(=O)NCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC000949110686 1023461037 /nfs/dbraw/zinc/46/10/37/1023461037.db2.gz WWKMMDHYHNUXCE-QZTJIDSGSA-N 1 2 370.497 2.614 20 30 FFEDLO CCCCCCCCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000755078093 1023562396 /nfs/dbraw/zinc/56/23/96/1023562396.db2.gz MTTGFUPJZKCBFP-UHFFFAOYSA-N 1 2 373.505 2.555 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001222767424 1033152563 /nfs/dbraw/zinc/15/25/63/1033152563.db2.gz IQCNMADTCOMKFA-AEFFLSMTSA-N 1 2 371.529 2.947 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3C3CC3)[C@H]2C1 ZINC001222767424 1033152568 /nfs/dbraw/zinc/15/25/68/1033152568.db2.gz IQCNMADTCOMKFA-AEFFLSMTSA-N 1 2 371.529 2.947 20 30 FFEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000756070901 1023664688 /nfs/dbraw/zinc/66/46/88/1023664688.db2.gz GKLGCKATLUHZLE-DLBZAZTESA-N 1 2 367.453 2.800 20 30 FFEDLO CCCCN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@@H]1CCOC1 ZINC001123230379 1023697721 /nfs/dbraw/zinc/69/77/21/1023697721.db2.gz JNYUNDHLMCDKGF-KRWDZBQOSA-N 1 2 374.533 2.644 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC(c2ccccc2)CC1 ZINC001121510555 1023818782 /nfs/dbraw/zinc/81/87/82/1023818782.db2.gz QIGDYWLXUBFNCR-RBUKOAKNSA-N 1 2 367.497 2.586 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC(c2ccccc2)CC1 ZINC001121510555 1023818786 /nfs/dbraw/zinc/81/87/86/1023818786.db2.gz QIGDYWLXUBFNCR-RBUKOAKNSA-N 1 2 367.497 2.586 20 30 FFEDLO C=CCn1c([C@@H]2CC=CCC2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001121605136 1023875957 /nfs/dbraw/zinc/87/59/57/1023875957.db2.gz WFQXLPFYEHOAQR-QGZVFWFLSA-N 1 2 368.485 2.906 20 30 FFEDLO C=CCn1c(N2CCc3ccsc3[C@@H]2C)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001121607590 1023877768 /nfs/dbraw/zinc/87/77/68/1023877768.db2.gz OYKRMPPGHSRIML-ZBQZNYHESA-N 1 2 373.526 2.561 20 30 FFEDLO C=CCn1c(N2CCc3ccsc3[C@@H]2C)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001121607590 1023877777 /nfs/dbraw/zinc/87/77/77/1023877777.db2.gz OYKRMPPGHSRIML-ZBQZNYHESA-N 1 2 373.526 2.561 20 30 FFEDLO C=CCn1c(N(CC)Cc2ccccc2F)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121609212 1023879430 /nfs/dbraw/zinc/87/94/30/1023879430.db2.gz XUMWOYMYHJAWQR-JXFKEZNVSA-N 1 2 373.476 2.541 20 30 FFEDLO C=CCn1c(N(CC)Cc2ccccc2F)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001121609212 1023879437 /nfs/dbraw/zinc/87/94/37/1023879437.db2.gz XUMWOYMYHJAWQR-JXFKEZNVSA-N 1 2 373.476 2.541 20 30 FFEDLO C=C/C(C)=C\CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001218485950 1033175904 /nfs/dbraw/zinc/17/59/04/1033175904.db2.gz AMTHZZMSLLJCHG-YAKQSXFOSA-N 1 2 369.440 2.631 20 30 FFEDLO C=C/C(C)=C\CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001218485950 1033175917 /nfs/dbraw/zinc/17/59/17/1033175917.db2.gz AMTHZZMSLLJCHG-YAKQSXFOSA-N 1 2 369.440 2.631 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2C[N@H+](Cc3ncnn3-c3ccccc3)C[C@@]2(C)C1 ZINC001101167861 1023986646 /nfs/dbraw/zinc/98/66/46/1023986646.db2.gz YAKVRQUHUQFFEQ-UTKZUKDTSA-N 1 2 365.481 2.514 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3-c3ccccc3)C[C@@]2(C)C1 ZINC001101167861 1023986655 /nfs/dbraw/zinc/98/66/55/1023986655.db2.gz YAKVRQUHUQFFEQ-UTKZUKDTSA-N 1 2 365.481 2.514 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001121799841 1024037094 /nfs/dbraw/zinc/03/70/94/1024037094.db2.gz BJGRVZOTMPZORE-UHFFFAOYSA-N 1 2 374.533 2.785 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001101203168 1024082377 /nfs/dbraw/zinc/08/23/77/1024082377.db2.gz JUCARJUEGPJRKI-BEFAXECRSA-N 1 2 362.905 2.547 20 30 FFEDLO C#CCCCCC(=O)N1C[C@H]2C[N@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001101203168 1024082394 /nfs/dbraw/zinc/08/23/94/1024082394.db2.gz JUCARJUEGPJRKI-BEFAXECRSA-N 1 2 362.905 2.547 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001101249844 1024186392 /nfs/dbraw/zinc/18/63/92/1024186392.db2.gz PASGATCJZHMEHP-UTKZUKDTSA-N 1 2 369.513 2.731 20 30 FFEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001101249844 1024186399 /nfs/dbraw/zinc/18/63/99/1024186399.db2.gz PASGATCJZHMEHP-UTKZUKDTSA-N 1 2 369.513 2.731 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(CCC)no3)C[C@@]2(C)C1 ZINC001101336576 1024483954 /nfs/dbraw/zinc/48/39/54/1024483954.db2.gz JDPMNGALCBAXDG-QINHECLXSA-N 1 2 360.502 2.905 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3nc(CCC)no3)C[C@@]2(C)C1 ZINC001101336576 1024483963 /nfs/dbraw/zinc/48/39/63/1024483963.db2.gz JDPMNGALCBAXDG-QINHECLXSA-N 1 2 360.502 2.905 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001101337500 1024485965 /nfs/dbraw/zinc/48/59/65/1024485965.db2.gz BNNFCFDUHDXHES-QKLQHJQFSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001101337500 1024485972 /nfs/dbraw/zinc/48/59/72/1024485972.db2.gz BNNFCFDUHDXHES-QKLQHJQFSA-N 1 2 359.518 2.742 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3csc(COC)n3)C[C@@]2(C)C1 ZINC001101346997 1024511957 /nfs/dbraw/zinc/51/19/57/1024511957.db2.gz QOMUNDKMCIENJL-BEFAXECRSA-N 1 2 363.527 2.926 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2C[N@H+](Cc3csc(COC)n3)C[C@@]2(C)C1 ZINC001101346997 1024511965 /nfs/dbraw/zinc/51/19/65/1024511965.db2.gz QOMUNDKMCIENJL-BEFAXECRSA-N 1 2 363.527 2.926 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4ncnn4C(C)C)C[C@@]3(C)C2)CC1 ZINC001101353690 1024530007 /nfs/dbraw/zinc/53/00/07/1024530007.db2.gz FFGXSUAVSAZGNK-XLIONFOSSA-N 1 2 371.529 2.886 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@H+](Cc4ncnn4C(C)C)C[C@@]3(C)C2)CC1 ZINC001101353690 1024530012 /nfs/dbraw/zinc/53/00/12/1024530012.db2.gz FFGXSUAVSAZGNK-XLIONFOSSA-N 1 2 371.529 2.886 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000951584974 1024592224 /nfs/dbraw/zinc/59/22/24/1024592224.db2.gz VPGUTDRTPMIPSR-PMACEKPBSA-N 1 2 358.482 2.711 20 30 FFEDLO C#CCCCCC(=O)NC[C@@H]1C[N@@H+](Cc2noc(-c3ccoc3)n2)C[C@H]1C ZINC001101895007 1025164707 /nfs/dbraw/zinc/16/47/07/1025164707.db2.gz YODIVNBYXPHETF-NVXWUHKLSA-N 1 2 370.453 2.707 20 30 FFEDLO C#CCCCCC(=O)NC[C@@H]1C[N@H+](Cc2noc(-c3ccoc3)n2)C[C@H]1C ZINC001101895007 1025164714 /nfs/dbraw/zinc/16/47/14/1025164714.db2.gz YODIVNBYXPHETF-NVXWUHKLSA-N 1 2 370.453 2.707 20 30 FFEDLO N#CCOc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)cc1 ZINC000829645717 1033263631 /nfs/dbraw/zinc/26/36/31/1033263631.db2.gz CNRJDTAKPHKNJH-NRFANRHFSA-N 1 2 361.445 2.794 20 30 FFEDLO N#CCOc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)cc1 ZINC000829645717 1033263639 /nfs/dbraw/zinc/26/36/39/1033263639.db2.gz CNRJDTAKPHKNJH-NRFANRHFSA-N 1 2 361.445 2.794 20 30 FFEDLO C=C(C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2ncn(-c3ccccc3)n2)C[C@H]1C ZINC001102011813 1025294514 /nfs/dbraw/zinc/29/45/14/1025294514.db2.gz RMKCGSUJERNXPW-QZTJIDSGSA-N 1 2 367.497 2.808 20 30 FFEDLO C=C(C)CCC(=O)NC[C@@H]1C[N@H+](Cc2ncn(-c3ccccc3)n2)C[C@H]1C ZINC001102011813 1025294524 /nfs/dbraw/zinc/29/45/24/1025294524.db2.gz RMKCGSUJERNXPW-QZTJIDSGSA-N 1 2 367.497 2.808 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001102176474 1025532104 /nfs/dbraw/zinc/53/21/04/1025532104.db2.gz NWQYQSYKQJYPRT-SQNIBIBYSA-N 1 2 352.438 2.646 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001102327270 1025752945 /nfs/dbraw/zinc/75/29/45/1025752945.db2.gz LAXJFDULPMFFAX-LBTNJELSSA-N 1 2 366.531 2.723 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001102327270 1025752952 /nfs/dbraw/zinc/75/29/52/1025752952.db2.gz LAXJFDULPMFFAX-LBTNJELSSA-N 1 2 366.531 2.723 20 30 FFEDLO Cc1nc(C(F)(F)F)ccc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC001141432899 1026292071 /nfs/dbraw/zinc/29/20/71/1026292071.db2.gz QOXCJISWKGGKRA-UHFFFAOYSA-N 1 2 361.371 2.998 20 30 FFEDLO C=CCOCC(=O)NCC[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001102770565 1026635145 /nfs/dbraw/zinc/63/51/45/1026635145.db2.gz GLHIWIZSQGWNDJ-CHWSQXEVSA-N 1 2 357.907 2.573 20 30 FFEDLO C=CCOCC(=O)NCC[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001102770565 1026635150 /nfs/dbraw/zinc/63/51/50/1026635150.db2.gz GLHIWIZSQGWNDJ-CHWSQXEVSA-N 1 2 357.907 2.573 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(C(F)(F)F)cc2OC)CC1 ZINC001141613790 1026671758 /nfs/dbraw/zinc/67/17/58/1026671758.db2.gz ASFLVKPNXZRERX-UHFFFAOYSA-N 1 2 356.344 2.993 20 30 FFEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000839548385 1026727401 /nfs/dbraw/zinc/72/74/01/1026727401.db2.gz OPQGHOLSUMVLFT-UHFFFAOYSA-N 1 2 373.478 2.598 20 30 FFEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000839548385 1026727411 /nfs/dbraw/zinc/72/74/11/1026727411.db2.gz OPQGHOLSUMVLFT-UHFFFAOYSA-N 1 2 373.478 2.598 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N[C@@H](CCC)c2ccccc2)nn1 ZINC000640855217 1026978538 /nfs/dbraw/zinc/97/85/38/1026978538.db2.gz QZWRXSHEELDFNV-APWZRJJASA-N 1 2 353.470 2.610 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2c(CC)cccc2CC)nn1 ZINC000640908913 1027020986 /nfs/dbraw/zinc/02/09/86/1027020986.db2.gz HINZRCWAVOZVIC-HNNXBMFYSA-N 1 2 353.470 2.716 20 30 FFEDLO Cc1nc(C#N)cc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)n1 ZINC001158552736 1027058911 /nfs/dbraw/zinc/05/89/11/1027058911.db2.gz USTPUZRFWXWDLY-INIZCTEOSA-N 1 2 361.371 2.910 20 30 FFEDLO Cc1nc(C#N)cc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)n1 ZINC001158552736 1027058920 /nfs/dbraw/zinc/05/89/20/1027058920.db2.gz USTPUZRFWXWDLY-INIZCTEOSA-N 1 2 361.371 2.910 20 30 FFEDLO N#Cc1cccc(OCc2cccc(C(=O)N[C@@H]3Cc4c[nH+]cn4C3)c2)c1 ZINC001158851268 1027159024 /nfs/dbraw/zinc/15/90/24/1027159024.db2.gz GCZJQLXSGITDRV-GOSISDBHSA-N 1 2 358.401 2.688 20 30 FFEDLO CSc1nc(C[N@@H+]2CC[C@H]3C[C@@H](c4nc(C)no4)O[C@@H]3C2)ccc1C#N ZINC001141934629 1027183194 /nfs/dbraw/zinc/18/31/94/1027183194.db2.gz RPGIVPYTCXNOHO-VBNZEHGJSA-N 1 2 371.466 2.719 20 30 FFEDLO CSc1nc(C[N@H+]2CC[C@H]3C[C@@H](c4nc(C)no4)O[C@@H]3C2)ccc1C#N ZINC001141934629 1027183203 /nfs/dbraw/zinc/18/32/03/1027183203.db2.gz RPGIVPYTCXNOHO-VBNZEHGJSA-N 1 2 371.466 2.719 20 30 FFEDLO C#CC[N@@H+](Cc1c(C)nn(CCC(=O)OC)c1C)Cc1ccc(F)cc1 ZINC000092541587 1027360192 /nfs/dbraw/zinc/36/01/92/1027360192.db2.gz UAUQFNWTFYQOKF-UHFFFAOYSA-N 1 2 357.429 2.838 20 30 FFEDLO C#CC[N@H+](Cc1c(C)nn(CCC(=O)OC)c1C)Cc1ccc(F)cc1 ZINC000092541587 1027360217 /nfs/dbraw/zinc/36/02/17/1027360217.db2.gz UAUQFNWTFYQOKF-UHFFFAOYSA-N 1 2 357.429 2.838 20 30 FFEDLO C=CCC1(C(=O)NCC[C@@H]2C[N@H+](Cc3noc(CC)n3)C[C@H]2C)CCC1 ZINC001103404442 1027412188 /nfs/dbraw/zinc/41/21/88/1027412188.db2.gz CPDYIIUXPZRLJE-HZPDHXFCSA-N 1 2 360.502 2.953 20 30 FFEDLO C=CCC1(C(=O)NCC[C@@H]2C[N@@H+](Cc3noc(CC)n3)C[C@H]2C)CCC1 ZINC001103404442 1027412193 /nfs/dbraw/zinc/41/21/93/1027412193.db2.gz CPDYIIUXPZRLJE-HZPDHXFCSA-N 1 2 360.502 2.953 20 30 FFEDLO Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N[C@@H]3C(=O)N(O)C[C@@H]3C)c12 ZINC001160176383 1027624239 /nfs/dbraw/zinc/62/42/39/1027624239.db2.gz ORKICYQSUZLZLP-SJCJKPOMSA-N 1 2 365.437 2.744 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C2CC2)o1 ZINC001153441925 1027883279 /nfs/dbraw/zinc/88/32/79/1027883279.db2.gz SIWSNOAKIQBAEY-OIISXLGYSA-N 1 2 361.486 2.860 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C2CC2)o1 ZINC001153441925 1027883298 /nfs/dbraw/zinc/88/32/98/1027883298.db2.gz SIWSNOAKIQBAEY-OIISXLGYSA-N 1 2 361.486 2.860 20 30 FFEDLO CCc1nc(C#N)c(C#N)nc1NCc1c[nH+]cn1Cc1ccc(OC)cc1 ZINC001161512027 1028209628 /nfs/dbraw/zinc/20/96/28/1028209628.db2.gz BIBBMHZTNPHYHU-UHFFFAOYSA-N 1 2 373.420 2.648 20 30 FFEDLO N#CCc1cc[nH+]c(NC2(Cc3ccc(F)cc3)CCS(=O)(=O)CC2)c1 ZINC001161558002 1028227589 /nfs/dbraw/zinc/22/75/89/1028227589.db2.gz ZKTBSEQTQFBSPE-UHFFFAOYSA-N 1 2 373.453 2.889 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001154410324 1028287162 /nfs/dbraw/zinc/28/71/62/1028287162.db2.gz OLDFXUYMVNFVFF-ZMYBRWDISA-N 1 2 361.461 2.839 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001154410324 1028287182 /nfs/dbraw/zinc/28/71/82/1028287182.db2.gz OLDFXUYMVNFVFF-ZMYBRWDISA-N 1 2 361.461 2.839 20 30 FFEDLO N#Cc1ccc2ccnc(N3CC([NH+]4CCN(c5ccccn5)CC4)C3)c2c1 ZINC001154638006 1028387097 /nfs/dbraw/zinc/38/70/97/1028387097.db2.gz NJATVBZSVKHGCC-UHFFFAOYSA-N 1 2 370.460 2.512 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2c(C)nnn2CC)CCCC1 ZINC001111518138 1028720584 /nfs/dbraw/zinc/72/05/84/1028720584.db2.gz SWNUBPNPDBLKIR-KURKYZTESA-N 1 2 371.529 2.964 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2c(C)nnn2CC)CCCC1 ZINC001111518138 1028720594 /nfs/dbraw/zinc/72/05/94/1028720594.db2.gz SWNUBPNPDBLKIR-KURKYZTESA-N 1 2 371.529 2.964 20 30 FFEDLO CCN(CC)C(=O)[C@@H](C)Nc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001164609920 1029343036 /nfs/dbraw/zinc/34/30/36/1029343036.db2.gz BEENATZQJFEBST-WGABTHKTSA-N 1 2 366.531 2.940 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc3n1CCCC3)C2 ZINC001111850366 1029615660 /nfs/dbraw/zinc/61/56/60/1029615660.db2.gz JQARZIOILUAMBZ-WWMYMODYSA-N 1 2 371.529 2.687 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc3n1CCCC3)C2 ZINC001111850366 1029615662 /nfs/dbraw/zinc/61/56/62/1029615662.db2.gz JQARZIOILUAMBZ-WWMYMODYSA-N 1 2 371.529 2.687 20 30 FFEDLO C=CC1(CC(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2ncnn2C)C3)CCCCC1 ZINC001111901400 1029700800 /nfs/dbraw/zinc/70/08/00/1029700800.db2.gz GCXOXSRFRBSIIN-UWJYYQICSA-N 1 2 371.529 2.812 20 30 FFEDLO C=CC1(CC(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2ncnn2C)C3)CCCCC1 ZINC001111901400 1029700821 /nfs/dbraw/zinc/70/08/21/1029700821.db2.gz GCXOXSRFRBSIIN-UWJYYQICSA-N 1 2 371.529 2.812 20 30 FFEDLO Cc1cnc(N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)c(C#N)c1 ZINC001165739366 1030103672 /nfs/dbraw/zinc/10/36/72/1030103672.db2.gz VWTGOCUIHOSLMY-INIZCTEOSA-N 1 2 360.421 2.569 20 30 FFEDLO CO[C@H](CC(C)C)CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000841482409 1030315745 /nfs/dbraw/zinc/31/57/45/1030315745.db2.gz ODWUVWJOHATMAN-CQSZACIVSA-N 1 2 356.470 2.707 20 30 FFEDLO N#CCc1ccc(CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000784047337 1030438452 /nfs/dbraw/zinc/43/84/52/1030438452.db2.gz MNWDQFVQESKFOY-UHFFFAOYSA-N 1 2 364.449 2.632 20 30 FFEDLO COc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001276409029 1030674283 /nfs/dbraw/zinc/67/42/83/1030674283.db2.gz UXQNEYXRTMFNKX-IBGZPJMESA-N 1 2 363.408 2.844 20 30 FFEDLO COc1c(F)cc(F)cc1C[N@H+]1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001276409029 1030674287 /nfs/dbraw/zinc/67/42/87/1030674287.db2.gz UXQNEYXRTMFNKX-IBGZPJMESA-N 1 2 363.408 2.844 20 30 FFEDLO COC(=O)C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001203906017 1030972528 /nfs/dbraw/zinc/97/25/28/1030972528.db2.gz JFONGTMQXMXYGG-NRFANRHFSA-N 1 2 363.461 2.808 20 30 FFEDLO COC(=O)C[C@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001203906017 1030972532 /nfs/dbraw/zinc/97/25/32/1030972532.db2.gz JFONGTMQXMXYGG-NRFANRHFSA-N 1 2 363.461 2.808 20 30 FFEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cnc3ccc(Cl)nn13)C2 ZINC001142991510 1031128668 /nfs/dbraw/zinc/12/86/68/1031128668.db2.gz JKBPHZSGSZIZOM-YJBOKZPZSA-N 1 2 362.861 2.709 20 30 FFEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cnc3ccc(Cl)nn13)C2 ZINC001142991510 1031128674 /nfs/dbraw/zinc/12/86/74/1031128674.db2.gz JKBPHZSGSZIZOM-YJBOKZPZSA-N 1 2 362.861 2.709 20 30 FFEDLO COc1ccc(C[N@@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)c(F)c1F ZINC001276462705 1031273154 /nfs/dbraw/zinc/27/31/54/1031273154.db2.gz ROACFJHBYGNMPV-IBGZPJMESA-N 1 2 363.408 2.844 20 30 FFEDLO COc1ccc(C[N@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)c(F)c1F ZINC001276462705 1031273161 /nfs/dbraw/zinc/27/31/61/1031273161.db2.gz ROACFJHBYGNMPV-IBGZPJMESA-N 1 2 363.408 2.844 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2C[C@@H](OC(C)(C)C)C2)CC1=O ZINC000843265746 1031276990 /nfs/dbraw/zinc/27/69/90/1031276990.db2.gz ICCPBURICTZHFR-OKILXGFUSA-N 1 2 368.481 2.992 20 30 FFEDLO CCOc1cccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1O ZINC000798274224 1031352255 /nfs/dbraw/zinc/35/22/55/1031352255.db2.gz BLCWWCAGUQIPSW-GJZGRUSLSA-N 1 2 361.442 2.640 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cccc(C(=O)OC)c1)CCC2 ZINC001204652655 1031402619 /nfs/dbraw/zinc/40/26/19/1031402619.db2.gz PKKDLCWOYLJFTN-UHFFFAOYSA-N 1 2 355.438 2.778 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cccc(C(=O)OC)c1)CCC2 ZINC001204652655 1031402628 /nfs/dbraw/zinc/40/26/28/1031402628.db2.gz PKKDLCWOYLJFTN-UHFFFAOYSA-N 1 2 355.438 2.778 20 30 FFEDLO N#Cc1cccc(NC2CN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC001149468601 1031515167 /nfs/dbraw/zinc/51/51/67/1031515167.db2.gz AHWUUMZMSUBRJQ-UHFFFAOYSA-N 1 2 357.417 2.609 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]Cc2cnon2)C1 ZINC001205614505 1031874162 /nfs/dbraw/zinc/87/41/62/1031874162.db2.gz FNXWPTVNVIABTK-FUHWJXTLSA-N 1 2 358.417 2.649 20 30 FFEDLO N#Cc1cc(Oc2ccc(NC(=O)N[C@@H]3Cc4c[nH+]cn4C3)cc2)ccn1 ZINC001205899922 1032054007 /nfs/dbraw/zinc/05/40/07/1032054007.db2.gz RMTCMHYOTZNVSG-OAHLLOKOSA-N 1 2 360.377 2.688 20 30 FFEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](CC(=O)c1ccc(OC)cc1)CC2 ZINC001276868405 1033315650 /nfs/dbraw/zinc/31/56/50/1033315650.db2.gz LSTWKHYCWYLMEV-SFHVURJKSA-N 1 2 356.466 2.672 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc4n3CCCC4)[C@H]2C1 ZINC001223338368 1033401970 /nfs/dbraw/zinc/40/19/70/1033401970.db2.gz NOWIPJYPOTZBJR-KURKYZTESA-N 1 2 371.529 2.640 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc4n3CCCC4)[C@H]2C1 ZINC001223338368 1033401980 /nfs/dbraw/zinc/40/19/80/1033401980.db2.gz NOWIPJYPOTZBJR-KURKYZTESA-N 1 2 371.529 2.640 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cccc(OC(C)=O)c1 ZINC001138041475 1033613491 /nfs/dbraw/zinc/61/34/91/1033613491.db2.gz BZLCKCBAHMZZAA-IBGZPJMESA-N 1 2 355.438 2.647 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cccc(OC(C)=O)c1 ZINC001138041475 1033613498 /nfs/dbraw/zinc/61/34/98/1033613498.db2.gz BZLCKCBAHMZZAA-IBGZPJMESA-N 1 2 355.438 2.647 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001219492451 1033669161 /nfs/dbraw/zinc/66/91/61/1033669161.db2.gz MFJYFRBFPOETJO-SJORKVTESA-N 1 2 368.399 2.560 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001219492451 1033669169 /nfs/dbraw/zinc/66/91/69/1033669169.db2.gz MFJYFRBFPOETJO-SJORKVTESA-N 1 2 368.399 2.560 20 30 FFEDLO N#CCC[NH+]1CCC2(C[C@H]2C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC001276949060 1033730144 /nfs/dbraw/zinc/73/01/44/1033730144.db2.gz OJRKESFBGSEZPU-SFHVURJKSA-N 1 2 350.466 2.842 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC2CC2)CC1 ZINC000830675093 1033736982 /nfs/dbraw/zinc/73/69/82/1033736982.db2.gz OIGFORORGWXNER-UHFFFAOYSA-N 1 2 374.492 2.515 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc3ccccc3o2)C[C@@H]1O ZINC001219689671 1033751110 /nfs/dbraw/zinc/75/11/10/1033751110.db2.gz CWGDOQYQNRZYMH-OLMNPRSZSA-N 1 2 369.465 2.819 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc3ccccc3o2)C[C@@H]1O ZINC001219689671 1033751127 /nfs/dbraw/zinc/75/11/27/1033751127.db2.gz CWGDOQYQNRZYMH-OLMNPRSZSA-N 1 2 369.465 2.819 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nonc4C)[C@H]3C2)CCCC1 ZINC001224343707 1033854072 /nfs/dbraw/zinc/85/40/72/1033854072.db2.gz HUKWDZRTYFGVJW-AEFFLSMTSA-N 1 2 358.486 2.937 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nonc4C)[C@H]3C2)CCCC1 ZINC001224343707 1033854084 /nfs/dbraw/zinc/85/40/84/1033854084.db2.gz HUKWDZRTYFGVJW-AEFFLSMTSA-N 1 2 358.486 2.937 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(Cl)c1C(=O)OCC ZINC001277017084 1034111344 /nfs/dbraw/zinc/11/13/44/1034111344.db2.gz KDZGATPQPVJHAY-IAGOWNOFSA-N 1 2 374.868 2.715 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(Cl)c1C(=O)OCC ZINC001277017084 1034111351 /nfs/dbraw/zinc/11/13/51/1034111351.db2.gz KDZGATPQPVJHAY-IAGOWNOFSA-N 1 2 374.868 2.715 20 30 FFEDLO CC(C)=CCC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001220404201 1034151912 /nfs/dbraw/zinc/15/19/12/1034151912.db2.gz WWHJSXSOFVHFCI-UIFIKXQLSA-N 1 2 369.509 2.992 20 30 FFEDLO CC(C)=CCC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001220404201 1034151922 /nfs/dbraw/zinc/15/19/22/1034151922.db2.gz WWHJSXSOFVHFCI-UIFIKXQLSA-N 1 2 369.509 2.992 20 30 FFEDLO CC(C)=CCC[C@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001220404202 1034152523 /nfs/dbraw/zinc/15/25/23/1034152523.db2.gz WWHJSXSOFVHFCI-WMQCIHAUSA-N 1 2 369.509 2.992 20 30 FFEDLO CC(C)=CCC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001220404202 1034152524 /nfs/dbraw/zinc/15/25/24/1034152524.db2.gz WWHJSXSOFVHFCI-WMQCIHAUSA-N 1 2 369.509 2.992 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2CCCn3cnc(COCC)c3C2)cc1OC ZINC001138344416 1034177717 /nfs/dbraw/zinc/17/77/17/1034177717.db2.gz JNWOQBBRZSLPDZ-UHFFFAOYSA-N 1 2 369.465 2.846 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2CCCn3cnc(COCC)c3C2)cc1OC ZINC001138344416 1034177721 /nfs/dbraw/zinc/17/77/21/1034177721.db2.gz JNWOQBBRZSLPDZ-UHFFFAOYSA-N 1 2 369.465 2.846 20 30 FFEDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C#N)cc1Cl ZINC001277030778 1034192608 /nfs/dbraw/zinc/19/26/08/1034192608.db2.gz JOPJLMJAGKVJMH-JBBXEZCESA-N 1 2 359.857 2.754 20 30 FFEDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C#N)cc1Cl ZINC001277030778 1034192618 /nfs/dbraw/zinc/19/26/18/1034192618.db2.gz JOPJLMJAGKVJMH-JBBXEZCESA-N 1 2 359.857 2.754 20 30 FFEDLO CC(=O)[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C#N)cc1Cl)CC2 ZINC001277030945 1034194279 /nfs/dbraw/zinc/19/42/79/1034194279.db2.gz OGKBFJVJUAZCRZ-CXAGYDPISA-N 1 2 373.884 2.907 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@@H]1O ZINC001220835195 1034420079 /nfs/dbraw/zinc/42/00/79/1034420079.db2.gz WTSDRWYPGHRYCR-MSOLQXFVSA-N 1 2 351.491 2.703 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@@H]1O ZINC001220835195 1034420090 /nfs/dbraw/zinc/42/00/90/1034420090.db2.gz WTSDRWYPGHRYCR-MSOLQXFVSA-N 1 2 351.491 2.703 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)nc2)C[C@@H]1O ZINC001220841273 1034423266 /nfs/dbraw/zinc/42/32/66/1034423266.db2.gz QQXGAJQWTMIBEC-MOPGFXCFSA-N 1 2 362.518 2.587 20 30 FFEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)nc2)C[C@@H]1O ZINC001220841273 1034423272 /nfs/dbraw/zinc/42/32/72/1034423272.db2.gz QQXGAJQWTMIBEC-MOPGFXCFSA-N 1 2 362.518 2.587 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221417473 1034729844 /nfs/dbraw/zinc/72/98/44/1034729844.db2.gz RJNVBYGTENMOJV-WIBUTAKZSA-N 1 2 371.456 2.545 20 30 FFEDLO C[C@@H](OCC1CC1)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001221417473 1034729857 /nfs/dbraw/zinc/72/98/57/1034729857.db2.gz RJNVBYGTENMOJV-WIBUTAKZSA-N 1 2 371.456 2.545 20 30 FFEDLO COCCCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221427532 1034744697 /nfs/dbraw/zinc/74/46/97/1034744697.db2.gz DCHOGGRTEHQQMU-IEBWSBKVSA-N 1 2 359.445 2.547 20 30 FFEDLO COCCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221427532 1034744716 /nfs/dbraw/zinc/74/47/16/1034744716.db2.gz DCHOGGRTEHQQMU-IEBWSBKVSA-N 1 2 359.445 2.547 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCN(c4ccc(C)cc4)C3=O)C[C@H]21 ZINC001221430549 1034747262 /nfs/dbraw/zinc/74/72/62/1034747262.db2.gz IIOBUUBUJYNBEQ-MISYRCLQSA-N 1 2 367.493 2.599 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCN(c4ccc(C)cc4)C3=O)C[C@H]21 ZINC001221430549 1034747273 /nfs/dbraw/zinc/74/72/73/1034747273.db2.gz IIOBUUBUJYNBEQ-MISYRCLQSA-N 1 2 367.493 2.599 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)ccc3Cl)C[C@H]21 ZINC001221442894 1034765069 /nfs/dbraw/zinc/76/50/69/1034765069.db2.gz ANNSDNLPESNKNR-CXAGYDPISA-N 1 2 352.837 2.714 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)ccc3Cl)C[C@H]21 ZINC001221442894 1034765076 /nfs/dbraw/zinc/76/50/76/1034765076.db2.gz ANNSDNLPESNKNR-CXAGYDPISA-N 1 2 352.837 2.714 20 30 FFEDLO CO[C@@H](C)CCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221499868 1034823129 /nfs/dbraw/zinc/82/31/29/1034823129.db2.gz HLOUBNPDLKEQRG-ZSZQSSIHSA-N 1 2 359.445 2.545 20 30 FFEDLO CO[C@@H](C)CCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221499868 1034823140 /nfs/dbraw/zinc/82/31/40/1034823140.db2.gz HLOUBNPDLKEQRG-ZSZQSSIHSA-N 1 2 359.445 2.545 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001221517730 1034834304 /nfs/dbraw/zinc/83/43/04/1034834304.db2.gz IUMDMVQSFZKHPD-BJZITVGISA-N 1 2 366.864 2.839 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001221517730 1034834311 /nfs/dbraw/zinc/83/43/11/1034834311.db2.gz IUMDMVQSFZKHPD-BJZITVGISA-N 1 2 366.864 2.839 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC001221539032 1034856359 /nfs/dbraw/zinc/85/63/59/1034856359.db2.gz JUZLJWTZJGQILP-JCKWVBRZSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC001221539032 1034856367 /nfs/dbraw/zinc/85/63/67/1034856367.db2.gz JUZLJWTZJGQILP-JCKWVBRZSA-N 1 2 364.848 2.550 20 30 FFEDLO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1n[nH]cc1Br)CC2 ZINC001139022240 1034889343 /nfs/dbraw/zinc/88/93/43/1034889343.db2.gz JLFRXXNCWGVJPJ-INIZCTEOSA-N 1 2 367.291 2.705 20 30 FFEDLO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1n[nH]cc1Br)CC2 ZINC001139022240 1034889352 /nfs/dbraw/zinc/88/93/52/1034889352.db2.gz JLFRXXNCWGVJPJ-INIZCTEOSA-N 1 2 367.291 2.705 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001221579546 1034893412 /nfs/dbraw/zinc/89/34/12/1034893412.db2.gz KHWOFESKWJFFIR-VQIMIIECSA-N 1 2 356.514 2.854 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001221579546 1034893421 /nfs/dbraw/zinc/89/34/21/1034893421.db2.gz KHWOFESKWJFFIR-VQIMIIECSA-N 1 2 356.514 2.854 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)oc3C)C[C@H]21 ZINC001221718703 1035009341 /nfs/dbraw/zinc/00/93/41/1035009341.db2.gz YSWCLYHKYOFGRZ-POAQFYNOSA-N 1 2 361.486 2.553 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)oc3C)C[C@H]21 ZINC001221718703 1035009347 /nfs/dbraw/zinc/00/93/47/1035009347.db2.gz YSWCLYHKYOFGRZ-POAQFYNOSA-N 1 2 361.486 2.553 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)c3ccccc3)C[C@H]21 ZINC001221760435 1035045799 /nfs/dbraw/zinc/04/57/99/1035045799.db2.gz FZNWMSQFBMHHBM-QWFCFKBJSA-N 1 2 369.509 2.784 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)c3ccccc3)C[C@H]21 ZINC001221760435 1035045809 /nfs/dbraw/zinc/04/58/09/1035045809.db2.gz FZNWMSQFBMHHBM-QWFCFKBJSA-N 1 2 369.509 2.784 20 30 FFEDLO COc1ncnc2c1CC[N@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)C2 ZINC001139407317 1035092994 /nfs/dbraw/zinc/09/29/94/1035092994.db2.gz XEGJTZDKDMMVCV-UHFFFAOYSA-N 1 2 357.417 2.977 20 30 FFEDLO COc1ncnc2c1CC[N@@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)C2 ZINC001139407317 1035093000 /nfs/dbraw/zinc/09/30/00/1035093000.db2.gz XEGJTZDKDMMVCV-UHFFFAOYSA-N 1 2 357.417 2.977 20 30 FFEDLO N#Cc1ccc(Oc2ccc(C[NH+]3CCN(c4ncccn4)CC3)cn2)cc1 ZINC001139423902 1035101682 /nfs/dbraw/zinc/10/16/82/1035101682.db2.gz KTDSMLJRNMZXSD-UHFFFAOYSA-N 1 2 372.432 2.858 20 30 FFEDLO C=CC1(CC(=O)N2C[C@H]3CC[N@@H+](Cc4cnnn4CC)C[C@H]32)CCCCC1 ZINC001221867187 1035123099 /nfs/dbraw/zinc/12/30/99/1035123099.db2.gz BIEZGKNBGFDVCN-IEBWSBKVSA-N 1 2 371.529 2.857 20 30 FFEDLO C=CC1(CC(=O)N2C[C@H]3CC[N@H+](Cc4cnnn4CC)C[C@H]32)CCCCC1 ZINC001221867187 1035123103 /nfs/dbraw/zinc/12/31/03/1035123103.db2.gz BIEZGKNBGFDVCN-IEBWSBKVSA-N 1 2 371.529 2.857 20 30 FFEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cn(Cc3ccccc3)nn1)C2 ZINC001139489319 1035132657 /nfs/dbraw/zinc/13/26/57/1035132657.db2.gz ZONUWIOTEBBBLC-LEWJYISDSA-N 1 2 368.481 2.653 20 30 FFEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cn(Cc3ccccc3)nn1)C2 ZINC001139489319 1035132661 /nfs/dbraw/zinc/13/26/61/1035132661.db2.gz ZONUWIOTEBBBLC-LEWJYISDSA-N 1 2 368.481 2.653 20 30 FFEDLO N#Cc1c(Cl)cccc1C[N@@H+]1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001139688562 1035198689 /nfs/dbraw/zinc/19/86/89/1035198689.db2.gz PIKZFQAAAWXJNW-KFKAGJAMSA-N 1 2 373.884 2.813 20 30 FFEDLO N#Cc1c(Cl)cccc1C[N@H+]1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001139688562 1035198690 /nfs/dbraw/zinc/19/86/90/1035198690.db2.gz PIKZFQAAAWXJNW-KFKAGJAMSA-N 1 2 373.884 2.813 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2c[nH]c3ccc(C#N)cc23)Cc2nnn(CC)c21 ZINC001140112121 1035345404 /nfs/dbraw/zinc/34/54/04/1035345404.db2.gz IVIQBADJDRPDOP-INIZCTEOSA-N 1 2 364.453 2.787 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)Cc2nnn(CC)c21 ZINC001140112121 1035345408 /nfs/dbraw/zinc/34/54/08/1035345408.db2.gz IVIQBADJDRPDOP-INIZCTEOSA-N 1 2 364.453 2.787 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3ccccc3)CC2)c(F)c1 ZINC001140140322 1035356271 /nfs/dbraw/zinc/35/62/71/1035356271.db2.gz QRGACYPSULMSSV-UHFFFAOYSA-N 1 2 351.425 2.974 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3ccccc3)CC2)c(F)c1 ZINC001140140322 1035356276 /nfs/dbraw/zinc/35/62/76/1035356276.db2.gz QRGACYPSULMSSV-UHFFFAOYSA-N 1 2 351.425 2.974 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1c[nH]c2cccc(O)c12 ZINC001140233877 1035392741 /nfs/dbraw/zinc/39/27/41/1035392741.db2.gz WJYQVFYDHFCQLL-QGZVFWFLSA-N 1 2 352.438 2.909 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1c[nH]c2cccc(O)c12 ZINC001140233877 1035392742 /nfs/dbraw/zinc/39/27/42/1035392742.db2.gz WJYQVFYDHFCQLL-QGZVFWFLSA-N 1 2 352.438 2.909 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232262002 1035534325 /nfs/dbraw/zinc/53/43/25/1035534325.db2.gz XCQGXSWVQONRDT-HNNXBMFYSA-N 1 2 363.845 2.787 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232262002 1035534334 /nfs/dbraw/zinc/53/43/34/1035534334.db2.gz XCQGXSWVQONRDT-HNNXBMFYSA-N 1 2 363.845 2.787 20 30 FFEDLO C=CCN1CC[N@@H+](C)C2(CCN(Cc3cc(Cl)cs3)CC2)C1=O ZINC001232279260 1035545171 /nfs/dbraw/zinc/54/51/71/1035545171.db2.gz BQRWLDBIHLBADN-UHFFFAOYSA-N 1 2 353.919 2.696 20 30 FFEDLO C=CCN1CC[N@H+](C)C2(CCN(Cc3cc(Cl)cs3)CC2)C1=O ZINC001232279260 1035545174 /nfs/dbraw/zinc/54/51/74/1035545174.db2.gz BQRWLDBIHLBADN-UHFFFAOYSA-N 1 2 353.919 2.696 20 30 FFEDLO C[C@H](Oc1ccc(O)c(C#N)c1C#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001227619267 1035640930 /nfs/dbraw/zinc/64/09/30/1035640930.db2.gz QJSOUPHLTJDCST-YCRPNKLZSA-N 1 2 363.417 2.804 20 30 FFEDLO C[C@H](Oc1ccc(O)c(C#N)c1C#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001227619267 1035640940 /nfs/dbraw/zinc/64/09/40/1035640940.db2.gz QJSOUPHLTJDCST-YCRPNKLZSA-N 1 2 363.417 2.804 20 30 FFEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(C[C@@H]2C(=O)N2CCOCC2)CC1 ZINC001232607092 1035863028 /nfs/dbraw/zinc/86/30/28/1035863028.db2.gz HJBHYSRODSJPDN-GOSISDBHSA-N 1 2 373.884 2.673 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4ccc(Br)cc4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228072742 1035916468 /nfs/dbraw/zinc/91/64/68/1035916468.db2.gz UOOWHBUURUYZIU-BSTOKRDTSA-N 1 2 361.239 2.989 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4ccc(Br)cc4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228072742 1035916487 /nfs/dbraw/zinc/91/64/87/1035916487.db2.gz UOOWHBUURUYZIU-BSTOKRDTSA-N 1 2 361.239 2.989 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H](C(=O)NC2CCCC2)C[C@H]2OCC[C@H]21 ZINC001232889996 1036132827 /nfs/dbraw/zinc/13/28/27/1036132827.db2.gz WKDMMDZFRUZQIS-PWIZWCRZSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H](C(=O)NC2CCCC2)C[C@H]2OCC[C@H]21 ZINC001232889996 1036132831 /nfs/dbraw/zinc/13/28/31/1036132831.db2.gz WKDMMDZFRUZQIS-PWIZWCRZSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2nc(Cl)nc3nc[nH]c32)C1 ZINC001228510984 1036150393 /nfs/dbraw/zinc/15/03/93/1036150393.db2.gz ZYUIREWPYKBNEW-CYBMUJFWSA-N 1 2 354.801 2.531 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2nc(Cl)nc3nc[nH]c32)C1 ZINC001228510984 1036150399 /nfs/dbraw/zinc/15/03/99/1036150399.db2.gz ZYUIREWPYKBNEW-CYBMUJFWSA-N 1 2 354.801 2.531 20 30 FFEDLO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccc(C)n2)c(C#N)c1 ZINC001232965114 1036192480 /nfs/dbraw/zinc/19/24/80/1036192480.db2.gz MFDRMDOWKSYROH-LEWJYISDSA-N 1 2 360.461 2.946 20 30 FFEDLO Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccc(C)n2)c(C#N)c1 ZINC001232965114 1036192487 /nfs/dbraw/zinc/19/24/87/1036192487.db2.gz MFDRMDOWKSYROH-LEWJYISDSA-N 1 2 360.461 2.946 20 30 FFEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC001233045239 1036292863 /nfs/dbraw/zinc/29/28/63/1036292863.db2.gz UDXKSEYBDFCQHM-AZUAARDMSA-N 1 2 352.438 2.622 20 30 FFEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC001233045239 1036292884 /nfs/dbraw/zinc/29/28/84/1036292884.db2.gz UDXKSEYBDFCQHM-AZUAARDMSA-N 1 2 352.438 2.622 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(OC)cncc1OC ZINC001277757994 1036322677 /nfs/dbraw/zinc/32/26/77/1036322677.db2.gz ZMCGSOMRTUGLAG-HXUWFJFHSA-N 1 2 359.470 2.632 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(OC)cncc1OC ZINC001277757994 1036322701 /nfs/dbraw/zinc/32/27/01/1036322701.db2.gz ZMCGSOMRTUGLAG-HXUWFJFHSA-N 1 2 359.470 2.632 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(O)c1 ZINC001233385402 1036584867 /nfs/dbraw/zinc/58/48/67/1036584867.db2.gz GXTHHWSHYGNGKH-QUCCMNQESA-N 1 2 367.424 2.740 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(O)c1 ZINC001233385402 1036584872 /nfs/dbraw/zinc/58/48/72/1036584872.db2.gz GXTHHWSHYGNGKH-QUCCMNQESA-N 1 2 367.424 2.740 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(Br)c4ccccc4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233766826 1036753646 /nfs/dbraw/zinc/75/36/46/1036753646.db2.gz UDALIFKRDYENCJ-YUIIJCIJSA-N 1 2 361.239 2.989 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(Br)c4ccccc4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233766826 1036753667 /nfs/dbraw/zinc/75/36/67/1036753667.db2.gz UDALIFKRDYENCJ-YUIIJCIJSA-N 1 2 361.239 2.989 20 30 FFEDLO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206953002 1036977244 /nfs/dbraw/zinc/97/72/44/1036977244.db2.gz NPMJKWVHBSZLLL-UMVBOHGHSA-N 1 2 370.478 2.709 20 30 FFEDLO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206953002 1036977264 /nfs/dbraw/zinc/97/72/64/1036977264.db2.gz NPMJKWVHBSZLLL-UMVBOHGHSA-N 1 2 370.478 2.709 20 30 FFEDLO CC(=O)c1cc(O)c(O)cc1O[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001234476206 1037052728 /nfs/dbraw/zinc/05/27/28/1037052728.db2.gz LPNNMSQPFNVWPN-MRXNPFEDSA-N 1 2 352.390 2.825 20 30 FFEDLO CC(=O)c1cc(O)c(O)cc1O[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001234476206 1037052733 /nfs/dbraw/zinc/05/27/33/1037052733.db2.gz LPNNMSQPFNVWPN-MRXNPFEDSA-N 1 2 352.390 2.825 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(Cl)c1C(=O)OC ZINC001276503604 1037087506 /nfs/dbraw/zinc/08/75/06/1037087506.db2.gz PBLXFMWNHFSUGM-HXUWFJFHSA-N 1 2 374.868 2.717 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(Cl)c1C(=O)OC ZINC001276503604 1037087518 /nfs/dbraw/zinc/08/75/18/1037087518.db2.gz PBLXFMWNHFSUGM-HXUWFJFHSA-N 1 2 374.868 2.717 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cc(F)cc(F)c2)C[C@H]1C ZINC001207200926 1037239897 /nfs/dbraw/zinc/23/98/97/1037239897.db2.gz TXPGODPUBDYVJG-CXAGYDPISA-N 1 2 365.424 2.696 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cc(F)cc(F)c2)C[C@H]1C ZINC001207200926 1037239906 /nfs/dbraw/zinc/23/99/06/1037239906.db2.gz TXPGODPUBDYVJG-CXAGYDPISA-N 1 2 365.424 2.696 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](OCC)C(=C)C)C1 ZINC001207255107 1037284561 /nfs/dbraw/zinc/28/45/61/1037284561.db2.gz FAKXPJRAPBPQGO-YUELXQCFSA-N 1 2 359.308 2.703 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](OCC)C(=C)C)C1 ZINC001207255107 1037284578 /nfs/dbraw/zinc/28/45/78/1037284578.db2.gz FAKXPJRAPBPQGO-YUELXQCFSA-N 1 2 359.308 2.703 20 30 FFEDLO C#C[C@H](CCC)NC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001230498551 1037293444 /nfs/dbraw/zinc/29/34/44/1037293444.db2.gz FWJMDKJQZRTAES-QGZVFWFLSA-N 1 2 363.889 2.848 20 30 FFEDLO C=CCN1CC[C@]2(CCCN(c3nc(NC4CC4)c(C)c[nH+]3)CC2)C1=O ZINC001277925384 1037377048 /nfs/dbraw/zinc/37/70/48/1037377048.db2.gz BGHFKXGRSNVMOT-FQEVSTJZSA-N 1 2 355.486 2.754 20 30 FFEDLO C=CCOC[C@H]1C[N@@H+](Cc2cc(C)cnc2F)Cc2nnn(CC3CC3)c21 ZINC001235331818 1037483709 /nfs/dbraw/zinc/48/37/09/1037483709.db2.gz ISYCAOPXZQYVEA-QGZVFWFLSA-N 1 2 371.460 2.833 20 30 FFEDLO C=CCOC[C@H]1C[N@H+](Cc2cc(C)cnc2F)Cc2nnn(CC3CC3)c21 ZINC001235331818 1037483715 /nfs/dbraw/zinc/48/37/15/1037483715.db2.gz ISYCAOPXZQYVEA-QGZVFWFLSA-N 1 2 371.460 2.833 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Br)co1 ZINC001277949413 1037588639 /nfs/dbraw/zinc/58/86/39/1037588639.db2.gz XAAQZCJSQBFOSV-MRXNPFEDSA-N 1 2 351.244 2.632 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Br)co1 ZINC001277949413 1037588658 /nfs/dbraw/zinc/58/86/58/1037588658.db2.gz XAAQZCJSQBFOSV-MRXNPFEDSA-N 1 2 351.244 2.632 20 30 FFEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1ccccc1CC#N ZINC001235513762 1037598424 /nfs/dbraw/zinc/59/84/24/1037598424.db2.gz KWJSHBDXNOQHTJ-HXUWFJFHSA-N 1 2 365.481 2.766 20 30 FFEDLO COc1ccc(Br)c(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)c1O ZINC001231550218 1037673394 /nfs/dbraw/zinc/67/33/94/1037673394.db2.gz KQHNSBCGLPVRNY-CYBMUJFWSA-N 1 2 370.268 2.937 20 30 FFEDLO COc1ccc(Br)c(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c1O ZINC001231550218 1037673400 /nfs/dbraw/zinc/67/34/00/1037673400.db2.gz KQHNSBCGLPVRNY-CYBMUJFWSA-N 1 2 370.268 2.937 20 30 FFEDLO C=CCOc1cccc(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](CO)C2)c1 ZINC001231620774 1037743924 /nfs/dbraw/zinc/74/39/24/1037743924.db2.gz BJUXKXMLHANLCU-OAQYLSRUSA-N 1 2 352.478 2.930 20 30 FFEDLO C=CCOc1cccc(C[N@H+]2CCN(Cc3ccccc3)[C@@H](CO)C2)c1 ZINC001231620774 1037743940 /nfs/dbraw/zinc/74/39/40/1037743940.db2.gz BJUXKXMLHANLCU-OAQYLSRUSA-N 1 2 352.478 2.930 20 30 FFEDLO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(C#N)c1 ZINC001207896414 1037825282 /nfs/dbraw/zinc/82/52/82/1037825282.db2.gz KVJOHZMXXZBIQV-INIZCTEOSA-N 1 2 359.451 2.575 20 30 FFEDLO C[NH+]1CCN(c2ncc(-c3cc(/C=N/O)cc(C(F)(F)F)c3)cn2)CC1 ZINC001235918606 1037836187 /nfs/dbraw/zinc/83/61/87/1037836187.db2.gz DQHDUNUUOMLADB-NUGSKGIGSA-N 1 2 365.359 2.722 20 30 FFEDLO C[C@@H](CC(F)F)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208024174 1037951255 /nfs/dbraw/zinc/95/12/55/1037951255.db2.gz GQACRCVQDDXDPK-HWWQOWPSSA-N 1 2 353.388 2.925 20 30 FFEDLO C[C@@H](CC(F)F)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208024174 1037951265 /nfs/dbraw/zinc/95/12/65/1037951265.db2.gz GQACRCVQDDXDPK-HWWQOWPSSA-N 1 2 353.388 2.925 20 30 FFEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(F)cc(F)cc1Cl)CC2 ZINC001277581429 1037980889 /nfs/dbraw/zinc/98/08/89/1037980889.db2.gz UFAUSIQRWREZHC-AWEZNQCLSA-N 1 2 352.812 2.970 20 30 FFEDLO C=C(C)C[C@H](NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)C(=O)OCC ZINC001537003391 1070101256 /nfs/dbraw/zinc/10/12/56/1070101256.db2.gz CMMVAFAWTCTDEE-HNNXBMFYSA-N 1 2 365.380 2.637 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccco3)no2)C[C@H]1C ZINC001208294929 1038196395 /nfs/dbraw/zinc/19/63/95/1038196395.db2.gz RXPUZLFAHMTYPU-ZIAGYGMSSA-N 1 2 358.442 2.868 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccco3)no2)C[C@H]1C ZINC001208294929 1038196398 /nfs/dbraw/zinc/19/63/98/1038196398.db2.gz RXPUZLFAHMTYPU-ZIAGYGMSSA-N 1 2 358.442 2.868 20 30 FFEDLO Cn1cc(CN2CCC23C[NH+](Cc2ccc4ncsc4c2)C3)cc1C#N ZINC001278901724 1038282856 /nfs/dbraw/zinc/28/28/56/1038282856.db2.gz GPQYBCFLHJQCPR-UHFFFAOYSA-N 1 2 363.490 2.967 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)cc1Br ZINC001236861828 1038314465 /nfs/dbraw/zinc/31/44/65/1038314465.db2.gz UVWRZVHAHWHWII-AWEZNQCLSA-N 1 2 359.227 2.764 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3cnccn3)C2)cc1Br ZINC001236861828 1038314475 /nfs/dbraw/zinc/31/44/75/1038314475.db2.gz UVWRZVHAHWHWII-AWEZNQCLSA-N 1 2 359.227 2.764 20 30 FFEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](C)Cc1cccc(OC)c1 ZINC001256156874 1038409032 /nfs/dbraw/zinc/40/90/32/1038409032.db2.gz QWXUBGFKZCMSCM-MGPUTAFESA-N 1 2 352.434 2.872 20 30 FFEDLO CCOC(=O)[C@H](CS)[NH2+]C1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001256658197 1038595146 /nfs/dbraw/zinc/59/51/46/1038595146.db2.gz AGYCARMUKOOANI-RUXDESIVSA-N 1 2 360.520 2.616 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@H]2CN(Cc3ccc(C)cc3C#N)C[C@@H](C1)O2 ZINC001278961452 1038612039 /nfs/dbraw/zinc/61/20/39/1038612039.db2.gz VJUIJGUYSMZFCG-KDURUIRLSA-N 1 2 368.506 2.717 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CN(Cc3ccc(C)cc3C#N)C[C@@H](C1)O2 ZINC001278961452 1038612044 /nfs/dbraw/zinc/61/20/44/1038612044.db2.gz VJUIJGUYSMZFCG-KDURUIRLSA-N 1 2 368.506 2.717 20 30 FFEDLO C#CCCC[N@@H+]1CCc2c(nnn2CC2CC2)[C@H]1COCc1cccnc1 ZINC001209267700 1038739913 /nfs/dbraw/zinc/73/99/13/1038739913.db2.gz UECOVYPLJJURCY-HXUWFJFHSA-N 1 2 365.481 2.613 20 30 FFEDLO C#CCCC[N@H+]1CCc2c(nnn2CC2CC2)[C@H]1COCc1cccnc1 ZINC001209267700 1038739919 /nfs/dbraw/zinc/73/99/19/1038739919.db2.gz UECOVYPLJJURCY-HXUWFJFHSA-N 1 2 365.481 2.613 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(O)c(C(F)(F)F)c2)C1=O ZINC001276632451 1038755527 /nfs/dbraw/zinc/75/55/27/1038755527.db2.gz QCOSYRWQXXPGSI-KRWDZBQOSA-N 1 2 352.356 2.611 20 30 FFEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(O)c(C(F)(F)F)c2)C1=O ZINC001276632451 1038755537 /nfs/dbraw/zinc/75/55/37/1038755537.db2.gz QCOSYRWQXXPGSI-KRWDZBQOSA-N 1 2 352.356 2.611 20 30 FFEDLO C=CC[NH+]1CCN(C[C@H](O)COCc2c(Cl)cccc2Cl)CC1 ZINC001250900382 1038792449 /nfs/dbraw/zinc/79/24/49/1038792449.db2.gz JCGCYOZUEWXLMK-AWEZNQCLSA-N 1 2 359.297 2.675 20 30 FFEDLO COC(=O)[C@H]([NH3+])c1ccc(-c2ccc(OC3CCOCC3)c(C#N)c2)cc1 ZINC001245307234 1038951247 /nfs/dbraw/zinc/95/12/47/1038951247.db2.gz IHPOUPKQJCBIRO-HXUWFJFHSA-N 1 2 366.417 2.956 20 30 FFEDLO COC(=O)[C@@H]([NH3+])c1ccc(-c2ccc(OC3CCOCC3)c(C#N)c2)cc1 ZINC001245307233 1038951768 /nfs/dbraw/zinc/95/17/68/1038951768.db2.gz IHPOUPKQJCBIRO-FQEVSTJZSA-N 1 2 366.417 2.956 20 30 FFEDLO C=CCOc1ccccc1C[NH+]1CC2(CCN2Cc2cccc(=O)[nH]2)C1 ZINC001279057318 1039050027 /nfs/dbraw/zinc/05/00/27/1039050027.db2.gz XMJZLIFNPFDSJQ-UHFFFAOYSA-N 1 2 351.450 2.812 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)c(F)c1 ZINC001278414646 1039092426 /nfs/dbraw/zinc/09/24/26/1039092426.db2.gz FVSVSBJYBAUGOL-IYBDPMFKSA-N 1 2 370.453 2.951 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)c(F)c1 ZINC001278414646 1039092441 /nfs/dbraw/zinc/09/24/41/1039092441.db2.gz FVSVSBJYBAUGOL-IYBDPMFKSA-N 1 2 370.453 2.951 20 30 FFEDLO COC(=O)c1cc(C#N)ccc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209929970 1039292055 /nfs/dbraw/zinc/29/20/55/1039292055.db2.gz GXQKGBLACHQETH-UHFFFAOYSA-N 1 2 351.406 2.921 20 30 FFEDLO COC(=O)c1cc(Nc2ccccc2C[NH+]2CCOCC2)ccc1C#N ZINC001209933325 1039294226 /nfs/dbraw/zinc/29/42/26/1039294226.db2.gz GWERCCHXBREJDH-UHFFFAOYSA-N 1 2 351.406 2.921 20 30 FFEDLO CCOc1cc(CN2CC[NH2+]C[C@@H]2C#N)ccc1OCc1ccccc1 ZINC001210123158 1039393072 /nfs/dbraw/zinc/39/30/72/1039393072.db2.gz ZLVPVMKOSUITKJ-IBGZPJMESA-N 1 2 351.450 2.962 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1Cc1cccc(-c2ccc(OC(F)(F)F)cc2)n1 ZINC001210122988 1039393389 /nfs/dbraw/zinc/39/33/89/1039393389.db2.gz XLDNKDNZBGBJGE-HNNXBMFYSA-N 1 2 362.355 2.945 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1Cc1c(F)c(Cl)c(F)cc1Br ZINC001210121976 1039393921 /nfs/dbraw/zinc/39/39/21/1039393921.db2.gz OJYRRIPLMRDRQG-ZETCQYMHSA-N 1 2 350.594 2.678 20 30 FFEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H]1CCC(=O)N(Cc2ccccc2)CC1)C(=O)OCC ZINC001258573153 1039436838 /nfs/dbraw/zinc/43/68/38/1039436838.db2.gz DAHCUEUTSZXLGT-OPYAIIAOSA-N 1 2 356.466 2.665 20 30 FFEDLO CCCCCCCC[C@@H](O)C[N@H+]1Cc2nnn(CC)c2[C@@H](COC)C1 ZINC001252125184 1039440512 /nfs/dbraw/zinc/44/05/12/1039440512.db2.gz BIJGBRCTCSAEIS-IAGOWNOFSA-N 1 2 352.523 2.955 20 30 FFEDLO CCCCCCCC[C@@H](O)C[N@@H+]1Cc2nnn(CC)c2[C@@H](COC)C1 ZINC001252125184 1039440520 /nfs/dbraw/zinc/44/05/20/1039440520.db2.gz BIJGBRCTCSAEIS-IAGOWNOFSA-N 1 2 352.523 2.955 20 30 FFEDLO CCCCCCCC[C@@H](O)C[N@@H+]1CCCn2c(Cn3cccn3)nnc2C1 ZINC001252128718 1039441756 /nfs/dbraw/zinc/44/17/56/1039441756.db2.gz PZURPQWRUVMBKZ-GOSISDBHSA-N 1 2 374.533 2.840 20 30 FFEDLO CCCCCCCC[C@@H](O)C[N@H+]1CCCn2c(Cn3cccn3)nnc2C1 ZINC001252128718 1039441764 /nfs/dbraw/zinc/44/17/64/1039441764.db2.gz PZURPQWRUVMBKZ-GOSISDBHSA-N 1 2 374.533 2.840 20 30 FFEDLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001247129420 1039624088 /nfs/dbraw/zinc/62/40/88/1039624088.db2.gz YEXHYAVBHZIABB-GOSISDBHSA-N 1 2 372.388 2.904 20 30 FFEDLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001247129420 1039624092 /nfs/dbraw/zinc/62/40/92/1039624092.db2.gz YEXHYAVBHZIABB-GOSISDBHSA-N 1 2 372.388 2.904 20 30 FFEDLO Cc1ncsc1C[N@H+]1C[C@H]2CN(Cc3cc(C#N)ccc3F)C[C@@H](C1)O2 ZINC001278680633 1039686223 /nfs/dbraw/zinc/68/62/23/1039686223.db2.gz CTJKTDNPUYIOLM-CALCHBBNSA-N 1 2 372.469 2.548 20 30 FFEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CN(Cc3cc(C#N)ccc3F)C[C@@H](C1)O2 ZINC001278680633 1039686229 /nfs/dbraw/zinc/68/62/29/1039686229.db2.gz CTJKTDNPUYIOLM-CALCHBBNSA-N 1 2 372.469 2.548 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CCCC(F)(F)F)c1 ZINC001278681056 1039690569 /nfs/dbraw/zinc/69/05/69/1039690569.db2.gz SESBCIJDYBXMMW-IYBDPMFKSA-N 1 2 371.378 2.925 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CCCC(F)(F)F)c1 ZINC001278681056 1039690578 /nfs/dbraw/zinc/69/05/78/1039690578.db2.gz SESBCIJDYBXMMW-IYBDPMFKSA-N 1 2 371.378 2.925 20 30 FFEDLO C#CCN1c2ccccc2C2(CC[NH+](CC(=O)c3cccs3)CC2)C1=O ZINC001276691248 1039807224 /nfs/dbraw/zinc/80/72/24/1039807224.db2.gz PVJBEOZATKNTEX-UHFFFAOYSA-N 1 2 364.470 2.944 20 30 FFEDLO C#CC[C@H]([NH3+])c1nc(-c2ccccc2CS(=O)(=O)c2ccccc2)no1 ZINC001247609143 1039830966 /nfs/dbraw/zinc/83/09/66/1039830966.db2.gz FVMAJNAJZLYXQZ-KRWDZBQOSA-N 1 2 367.430 2.734 20 30 FFEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2ccccc2-c2ccccc2)CC1 ZINC001259338713 1039921805 /nfs/dbraw/zinc/92/18/05/1039921805.db2.gz RTIZAWHWYOZLFT-UHFFFAOYSA-N 1 2 355.463 2.620 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1C)c1ccccc1 ZINC001211200107 1039993361 /nfs/dbraw/zinc/99/33/61/1039993361.db2.gz KFGFRXZIIFGIKY-ZTFGCOKTSA-N 1 2 356.495 2.835 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1C)c1ccccc1 ZINC001211200107 1039993364 /nfs/dbraw/zinc/99/33/64/1039993364.db2.gz KFGFRXZIIFGIKY-ZTFGCOKTSA-N 1 2 356.495 2.835 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1C)c1ccccc1 ZINC001211225000 1040011252 /nfs/dbraw/zinc/01/12/52/1040011252.db2.gz YQISPWYINKLQPK-ZHALLVOQSA-N 1 2 352.482 2.717 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1C)c1ccccc1 ZINC001211225000 1040011271 /nfs/dbraw/zinc/01/12/71/1040011271.db2.gz YQISPWYINKLQPK-ZHALLVOQSA-N 1 2 352.482 2.717 20 30 FFEDLO CCc1nnc([C@@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)o1 ZINC001211235058 1040023075 /nfs/dbraw/zinc/02/30/75/1040023075.db2.gz GYCZWHTUXAUKSH-JFIYKMOQSA-N 1 2 366.465 2.571 20 30 FFEDLO CCc1nnc([C@@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)o1 ZINC001211235058 1040023086 /nfs/dbraw/zinc/02/30/86/1040023086.db2.gz GYCZWHTUXAUKSH-JFIYKMOQSA-N 1 2 366.465 2.571 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2nccn2CC)C[C@H]1C)c1ccccc1 ZINC001211240739 1040025136 /nfs/dbraw/zinc/02/51/36/1040025136.db2.gz BHANOKRPVWPOFM-BHIYHBOVSA-N 1 2 352.482 2.809 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2nccn2CC)C[C@H]1C)c1ccccc1 ZINC001211240739 1040025149 /nfs/dbraw/zinc/02/51/49/1040025149.db2.gz BHANOKRPVWPOFM-BHIYHBOVSA-N 1 2 352.482 2.809 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2nccc(C)n2)C[C@H]1C)c1ccccc1 ZINC001211241347 1040027033 /nfs/dbraw/zinc/02/70/33/1040027033.db2.gz KJMYWYNXIKXZQK-ATZDWAIDSA-N 1 2 350.466 2.691 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2nccc(C)n2)C[C@H]1C)c1ccccc1 ZINC001211241347 1040027045 /nfs/dbraw/zinc/02/70/45/1040027045.db2.gz KJMYWYNXIKXZQK-ATZDWAIDSA-N 1 2 350.466 2.691 20 30 FFEDLO N#Cc1c(N)cc(=N)n(-c2ccc(-c3[nH]cc[nH+]3)cc2)c1Br ZINC001213085379 1040254168 /nfs/dbraw/zinc/25/41/68/1040254168.db2.gz FJHKMSUJQYUEDT-UHFFFAOYSA-N 1 2 355.199 2.563 20 30 FFEDLO SC1CC[NH+](Cc2cccn3c(I)cnc23)CC1 ZINC001248422562 1040266857 /nfs/dbraw/zinc/26/68/57/1040266857.db2.gz CXMYKHVHHLQUOE-UHFFFAOYSA-N 1 2 373.263 2.833 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(Cl)cn4ccnc34)CC2)c1 ZINC001248451827 1040279688 /nfs/dbraw/zinc/27/96/88/1040279688.db2.gz MQVAQAPDMOALPE-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO C=CCS(=O)(=O)NCc1c[nH+]cn1Cc1ccccc1C(F)(F)F ZINC001259936154 1040305647 /nfs/dbraw/zinc/30/56/47/1040305647.db2.gz ZIWWICZMKJAEHW-UHFFFAOYSA-N 1 2 359.373 2.556 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)CC1(C)CC1 ZINC001213195739 1040327296 /nfs/dbraw/zinc/32/72/96/1040327296.db2.gz SBHNHVRETSPLFC-QZTJIDSGSA-N 1 2 360.885 2.697 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)CC1(C)CC1 ZINC001213195739 1040327314 /nfs/dbraw/zinc/32/73/14/1040327314.db2.gz SBHNHVRETSPLFC-QZTJIDSGSA-N 1 2 360.885 2.697 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213322917 1040451305 /nfs/dbraw/zinc/45/13/05/1040451305.db2.gz WCJNXOPQAMVCFI-NIKGAXFTSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213322917 1040451313 /nfs/dbraw/zinc/45/13/13/1040451313.db2.gz WCJNXOPQAMVCFI-NIKGAXFTSA-N 1 2 359.445 2.615 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1OC ZINC001213358798 1040474531 /nfs/dbraw/zinc/47/45/31/1040474531.db2.gz SWBIDZHBJXZERK-WOJBJXKFSA-N 1 2 368.481 2.544 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1OC ZINC001213358798 1040474538 /nfs/dbraw/zinc/47/45/38/1040474538.db2.gz SWBIDZHBJXZERK-WOJBJXKFSA-N 1 2 368.481 2.544 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1OC ZINC001213389862 1040501805 /nfs/dbraw/zinc/50/18/05/1040501805.db2.gz JROMDQZQMINTQD-MBOZVWFJSA-N 1 2 362.518 2.556 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1OC ZINC001213389862 1040501826 /nfs/dbraw/zinc/50/18/26/1040501826.db2.gz JROMDQZQMINTQD-MBOZVWFJSA-N 1 2 362.518 2.556 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H](C)CC(C)(C)C ZINC001213540576 1040659413 /nfs/dbraw/zinc/65/94/13/1040659413.db2.gz GZDIVWZETGALHD-ATZDWAIDSA-N 1 2 357.498 2.946 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H](C)CC(C)(C)C ZINC001213540576 1040659420 /nfs/dbraw/zinc/65/94/20/1040659420.db2.gz GZDIVWZETGALHD-ATZDWAIDSA-N 1 2 357.498 2.946 20 30 FFEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC ZINC001254294517 1040664024 /nfs/dbraw/zinc/66/40/24/1040664024.db2.gz APIMNGQOJOVXQH-SPYBWZPUSA-N 1 2 352.475 2.873 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@H](C)c1ccco1 ZINC001213733279 1040854261 /nfs/dbraw/zinc/85/42/61/1040854261.db2.gz FMBIZZZNBJSLCO-FBBABVLZSA-N 1 2 366.461 2.640 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@H](C)c1ccco1 ZINC001213733279 1040854275 /nfs/dbraw/zinc/85/42/75/1040854275.db2.gz FMBIZZZNBJSLCO-FBBABVLZSA-N 1 2 366.461 2.640 20 30 FFEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccccc3Br)CC2)C1 ZINC001254673254 1040869303 /nfs/dbraw/zinc/86/93/03/1040869303.db2.gz HPBGJORARZARHX-KBPBESRZSA-N 1 2 362.271 2.899 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC001214727562 1041552671 /nfs/dbraw/zinc/55/26/71/1041552671.db2.gz HNSRQXMGUAPCHS-SJLPKXTDSA-N 1 2 367.497 2.806 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2CC2CCCC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001262988094 1042012165 /nfs/dbraw/zinc/01/21/65/1042012165.db2.gz LOZRPRJAVGIGKX-DBXWQHBBSA-N 1 2 373.545 2.925 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2CC2CCCC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001262988094 1042012174 /nfs/dbraw/zinc/01/21/74/1042012174.db2.gz LOZRPRJAVGIGKX-DBXWQHBBSA-N 1 2 373.545 2.925 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H]1Cc1ccccc1 ZINC001262990736 1042015143 /nfs/dbraw/zinc/01/51/43/1042015143.db2.gz MOYVKGPMTPHBHM-SFHVURJKSA-N 1 2 362.481 3.000 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001263025080 1042042918 /nfs/dbraw/zinc/04/29/18/1042042918.db2.gz SOPCYIMEEFAUDJ-FQEVSTJZSA-N 1 2 374.533 2.786 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC2(CCC2)OC[C@H]1C ZINC001263025062 1042042927 /nfs/dbraw/zinc/04/29/27/1042042927.db2.gz SAPYCPJSHGBJDW-MRXNPFEDSA-N 1 2 372.517 2.539 20 30 FFEDLO C=CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)no2)C1)c1ccccc1 ZINC001216806450 1042128300 /nfs/dbraw/zinc/12/83/00/1042128300.db2.gz PBFJXPMYYLAOQN-FHLIZLRMSA-N 1 2 354.454 2.674 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1ncc(CC)s1 ZINC001263288543 1042223771 /nfs/dbraw/zinc/22/37/71/1042223771.db2.gz VXYJWNCGAPJFGM-UHFFFAOYSA-N 1 2 371.514 2.834 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC001263301253 1042229200 /nfs/dbraw/zinc/22/92/00/1042229200.db2.gz LOBOBCHEGDBBAI-SUNYJGFJSA-N 1 2 369.460 2.870 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC001263301253 1042229204 /nfs/dbraw/zinc/22/92/04/1042229204.db2.gz LOBOBCHEGDBBAI-SUNYJGFJSA-N 1 2 369.460 2.870 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCCC[C@H](C)C1 ZINC001263315864 1042237075 /nfs/dbraw/zinc/23/70/75/1042237075.db2.gz IOONCECVHRKMLC-KRWDZBQOSA-N 1 2 361.534 2.685 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@@H+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC001264140415 1042633628 /nfs/dbraw/zinc/63/36/28/1042633628.db2.gz FCOGOOWXZZBFKN-KDOFPFPSSA-N 1 2 367.424 2.973 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@H+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC001264140415 1042633631 /nfs/dbraw/zinc/63/36/31/1042633631.db2.gz FCOGOOWXZZBFKN-KDOFPFPSSA-N 1 2 367.424 2.973 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CC[N@@H+]1Cc1ccn(CC(F)(F)F)n1 ZINC001264140813 1042634170 /nfs/dbraw/zinc/63/41/70/1042634170.db2.gz TZBIYMFFOJYDNS-HIFRSBDPSA-N 1 2 370.419 2.574 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CC[N@H+]1Cc1ccn(CC(F)(F)F)n1 ZINC001264140813 1042634173 /nfs/dbraw/zinc/63/41/73/1042634173.db2.gz TZBIYMFFOJYDNS-HIFRSBDPSA-N 1 2 370.419 2.574 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2cccc(F)c2)[C@@H]1C ZINC001264157345 1042642529 /nfs/dbraw/zinc/64/25/29/1042642529.db2.gz BOCVWUGFPIVKCA-VKJFTORMSA-N 1 2 361.461 2.946 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2cccc(F)c2)[C@@H]1C ZINC001264157345 1042642532 /nfs/dbraw/zinc/64/25/32/1042642532.db2.gz BOCVWUGFPIVKCA-VKJFTORMSA-N 1 2 361.461 2.946 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3nn(CC)nc3C)[C@@H]2CC)CCC1 ZINC001264617686 1042750189 /nfs/dbraw/zinc/75/01/89/1042750189.db2.gz YJLKJOVMHYSOFR-FUHWJXTLSA-N 1 2 359.518 2.822 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3nn(CC)nc3C)[C@@H]2CC)CCC1 ZINC001264617686 1042750195 /nfs/dbraw/zinc/75/01/95/1042750195.db2.gz YJLKJOVMHYSOFR-FUHWJXTLSA-N 1 2 359.518 2.822 20 30 FFEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(-c3ccc(OC)cc3)no2)[C@@H]1C ZINC001264693148 1042781196 /nfs/dbraw/zinc/78/11/96/1042781196.db2.gz FRXPVHYMYBRCHT-PBHICJAKSA-N 1 2 370.453 2.790 20 30 FFEDLO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2nc(-c3ccc(OC)cc3)no2)[C@@H]1C ZINC001264693148 1042781198 /nfs/dbraw/zinc/78/11/98/1042781198.db2.gz FRXPVHYMYBRCHT-PBHICJAKSA-N 1 2 370.453 2.790 20 30 FFEDLO N#Cc1cc(C[N@@H+]2C[C@@H]3OCCN(CCCC(F)(F)F)[C@H]3C2)ccc1F ZINC001279373694 1043034805 /nfs/dbraw/zinc/03/48/05/1043034805.db2.gz XPPBWZCPUISEGK-IRXDYDNUSA-N 1 2 371.378 2.925 20 30 FFEDLO N#Cc1cc(C[N@H+]2C[C@@H]3OCCN(CCCC(F)(F)F)[C@H]3C2)ccc1F ZINC001279373694 1043034810 /nfs/dbraw/zinc/03/48/10/1043034810.db2.gz XPPBWZCPUISEGK-IRXDYDNUSA-N 1 2 371.378 2.925 20 30 FFEDLO Cn1cc(C[N@@H+]2CCC23CN(Cc2ccc(C#N)c(Cl)c2)C3)cc1C#N ZINC001279471298 1043153897 /nfs/dbraw/zinc/15/38/97/1043153897.db2.gz YLYOSUAPASBSGZ-UHFFFAOYSA-N 1 2 365.868 2.882 20 30 FFEDLO Cn1cc(C[N@H+]2CCC23CN(Cc2ccc(C#N)c(Cl)c2)C3)cc1C#N ZINC001279471298 1043153902 /nfs/dbraw/zinc/15/39/02/1043153902.db2.gz YLYOSUAPASBSGZ-UHFFFAOYSA-N 1 2 365.868 2.882 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(Cc2ccc(N)cc2Cl)C3)cc1C#N ZINC001279496685 1043186025 /nfs/dbraw/zinc/18/60/25/1043186025.db2.gz AFILEVJKJCZYOS-BEFAXECRSA-N 1 2 369.900 2.839 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(Cc2ccc(N)cc2Cl)C3)cc1C#N ZINC001279496685 1043186030 /nfs/dbraw/zinc/18/60/30/1043186030.db2.gz AFILEVJKJCZYOS-BEFAXECRSA-N 1 2 369.900 2.839 20 30 FFEDLO CCCCCCCCNC(=O)N1CC2(C1)CC[N@H+](COCCOC)C2 ZINC001279910708 1043909286 /nfs/dbraw/zinc/90/92/86/1043909286.db2.gz PHHUUBPVYYFTIG-UHFFFAOYSA-N 1 2 355.523 2.685 20 30 FFEDLO CCCCCCCCNC(=O)N1CC2(C1)CC[N@@H+](COCCOC)C2 ZINC001279910708 1043909290 /nfs/dbraw/zinc/90/92/90/1043909290.db2.gz PHHUUBPVYYFTIG-UHFFFAOYSA-N 1 2 355.523 2.685 20 30 FFEDLO C=CCCCNC(=S)N1CC[C@H]2C[N@H+](Cc3nc4ccccc4[nH]3)C[C@H]21 ZINC001279935836 1043946674 /nfs/dbraw/zinc/94/66/74/1043946674.db2.gz DZHMOSWUYMBSHX-MAUKXSAKSA-N 1 2 369.538 2.910 20 30 FFEDLO C=CCCCNC(=S)N1CC[C@H]2C[N@@H+](Cc3nc4ccccc4[nH]3)C[C@H]21 ZINC001279935836 1043946678 /nfs/dbraw/zinc/94/66/78/1043946678.db2.gz DZHMOSWUYMBSHX-MAUKXSAKSA-N 1 2 369.538 2.910 20 30 FFEDLO N#CCC1CN(C(=O)[C@@H]2CC23C[NH+](Cc2cccc(Br)c2)C3)C1 ZINC001279996400 1044062118 /nfs/dbraw/zinc/06/21/18/1044062118.db2.gz AWVHHHBOPWOUHX-INIZCTEOSA-N 1 2 374.282 2.643 20 30 FFEDLO N#CC1(C(=O)N[C@@]23CC[C@@](Nc4cccc[nH+]4)(C2)CCC3)CCOCC1 ZINC001280118737 1044243502 /nfs/dbraw/zinc/24/35/02/1044243502.db2.gz MIKJDYQPGWKCCH-UXHICEINSA-N 1 2 354.454 2.775 20 30 FFEDLO N#Cc1cccc(F)c1C(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001278340832 1044668379 /nfs/dbraw/zinc/66/83/79/1044668379.db2.gz VIOJJORWRWQCLQ-UHFFFAOYSA-N 1 2 355.335 2.940 20 30 FFEDLO N#Cc1cccc(F)c1C(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001278340832 1044668387 /nfs/dbraw/zinc/66/83/87/1044668387.db2.gz VIOJJORWRWQCLQ-UHFFFAOYSA-N 1 2 355.335 2.940 20 30 FFEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001280831293 1044745302 /nfs/dbraw/zinc/74/53/02/1044745302.db2.gz DZPXUFAFUUXWNW-ZBFHGGJFSA-N 1 2 359.308 2.635 20 30 FFEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001280831293 1044745313 /nfs/dbraw/zinc/74/53/13/1044745313.db2.gz DZPXUFAFUUXWNW-ZBFHGGJFSA-N 1 2 359.308 2.635 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001281520209 1044914572 /nfs/dbraw/zinc/91/45/72/1044914572.db2.gz HMYPMOGIUMSIIW-KBAYOESNSA-N 1 2 370.497 2.781 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001281520209 1044914578 /nfs/dbraw/zinc/91/45/78/1044914578.db2.gz HMYPMOGIUMSIIW-KBAYOESNSA-N 1 2 370.497 2.781 20 30 FFEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(OC)cc2)[C@@H]1C ZINC001316791065 1044985748 /nfs/dbraw/zinc/98/57/48/1044985748.db2.gz YOBFYQRMQHCQFA-QAPCUYQASA-N 1 2 359.470 2.569 20 30 FFEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(OC)cc2)[C@@H]1C ZINC001316791065 1044985773 /nfs/dbraw/zinc/98/57/73/1044985773.db2.gz YOBFYQRMQHCQFA-QAPCUYQASA-N 1 2 359.470 2.569 20 30 FFEDLO N#Cc1cnc2ccc(-c3ccc(OCC[NH+]4CCOCC4)cc3F)cn12 ZINC001244135081 1045084949 /nfs/dbraw/zinc/08/49/49/1045084949.db2.gz KEEHYELWCLASNY-UHFFFAOYSA-N 1 2 366.396 2.723 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C)n2CCCO[C@@H](C)c2ccccc2)CC1 ZINC001539429909 1070636723 /nfs/dbraw/zinc/63/67/23/1070636723.db2.gz DVXGNOGTCZIKMG-SFHVURJKSA-N 1 2 367.497 2.510 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2CC2)CC1 ZINC001539431226 1070637265 /nfs/dbraw/zinc/63/72/65/1070637265.db2.gz RJYZLUSWEWZXCW-HXUWFJFHSA-N 1 2 363.509 2.985 20 30 FFEDLO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001322161164 1045974308 /nfs/dbraw/zinc/97/43/08/1045974308.db2.gz QNGHTCRPZHCFRA-PNHOKKKMSA-N 1 2 366.440 2.833 20 30 FFEDLO C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001322161164 1045974317 /nfs/dbraw/zinc/97/43/17/1045974317.db2.gz QNGHTCRPZHCFRA-PNHOKKKMSA-N 1 2 366.440 2.833 20 30 FFEDLO CN(C)c1cccc(Cl)c1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC001324376857 1045996635 /nfs/dbraw/zinc/99/66/35/1045996635.db2.gz SKJOZARSIKBXPX-UHFFFAOYSA-N 1 2 355.873 2.995 20 30 FFEDLO COc1ccc([C@H](CNc2cccc(CC#N)n2)[NH+]2CCOCC2)cc1 ZINC001322617263 1046152485 /nfs/dbraw/zinc/15/24/85/1046152485.db2.gz HDBODFANQLGSLC-IBGZPJMESA-N 1 2 352.438 2.642 20 30 FFEDLO C[C@H](NC(=O)C#Cc1cccs1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001325166212 1046401268 /nfs/dbraw/zinc/40/12/68/1046401268.db2.gz TZDFWHDRTMWJSE-LPHOPBHVSA-N 1 2 354.475 2.505 20 30 FFEDLO C[C@H](NC(=O)C#Cc1cccs1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001325166212 1046401271 /nfs/dbraw/zinc/40/12/71/1046401271.db2.gz TZDFWHDRTMWJSE-LPHOPBHVSA-N 1 2 354.475 2.505 20 30 FFEDLO C#CCN(C)c1nnc(CCc2ccccc2)n1Cc1c[nH+]ccc1OC ZINC001286379134 1047095316 /nfs/dbraw/zinc/09/53/16/1047095316.db2.gz HTRPXJGHNVESMO-UHFFFAOYSA-N 1 2 361.449 2.585 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2CCc2ccc(Cl)s2)CC1 ZINC001286478634 1047121148 /nfs/dbraw/zinc/12/11/48/1047121148.db2.gz HQIGJYVVNQOQSA-UHFFFAOYSA-N 1 2 363.918 2.553 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2Cc2cscc2C)CC1 ZINC001286478668 1047121410 /nfs/dbraw/zinc/12/14/10/1047121410.db2.gz IVUXKADFJACQDZ-UHFFFAOYSA-N 1 2 357.527 2.650 20 30 FFEDLO N#CCc1cccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)n1 ZINC001288255623 1047434955 /nfs/dbraw/zinc/43/49/55/1047434955.db2.gz IRJMQRDMXJQGFL-UHFFFAOYSA-N 1 2 374.404 2.625 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)OCc2ncc(C#N)cn2)c1 ZINC001331474683 1047959108 /nfs/dbraw/zinc/95/91/08/1047959108.db2.gz KDGXYVQYRNWWAA-GOSISDBHSA-N 1 2 350.422 2.755 20 30 FFEDLO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)OCc2ncc(C#N)cn2)c1 ZINC001331474683 1047959113 /nfs/dbraw/zinc/95/91/13/1047959113.db2.gz KDGXYVQYRNWWAA-GOSISDBHSA-N 1 2 350.422 2.755 20 30 FFEDLO N#CCOc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)c1 ZINC001328625899 1048387191 /nfs/dbraw/zinc/38/71/91/1048387191.db2.gz JXWMOVPKWBLBRU-LJQANCHMSA-N 1 2 350.422 2.977 20 30 FFEDLO N#CCOc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)c1 ZINC001328625899 1048387204 /nfs/dbraw/zinc/38/72/04/1048387204.db2.gz JXWMOVPKWBLBRU-LJQANCHMSA-N 1 2 350.422 2.977 20 30 FFEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001328750494 1048448882 /nfs/dbraw/zinc/44/88/82/1048448882.db2.gz TXDOVVIHFHJZEQ-XUWVNRHRSA-N 1 2 371.319 2.633 20 30 FFEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001328750494 1048448888 /nfs/dbraw/zinc/44/88/88/1048448888.db2.gz TXDOVVIHFHJZEQ-XUWVNRHRSA-N 1 2 371.319 2.633 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cnc(NC(=O)OC(C)(C)C)s2)C[C@H](C)N1CC#N ZINC001332722943 1048528404 /nfs/dbraw/zinc/52/84/04/1048528404.db2.gz CZRTYWVXZAZQQD-BETUJISGSA-N 1 2 365.503 2.908 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cnc(NC(=O)OC(C)(C)C)s2)C[C@H](C)N1CC#N ZINC001332722943 1048528416 /nfs/dbraw/zinc/52/84/16/1048528416.db2.gz CZRTYWVXZAZQQD-BETUJISGSA-N 1 2 365.503 2.908 20 30 FFEDLO CC[NH+](CC)CCOc1ccc(NC(=O)c2[nH]c(=O)c(C#N)cc2C)cc1 ZINC001290962257 1048551633 /nfs/dbraw/zinc/55/16/33/1048551633.db2.gz FRBYDPUPKVAPRB-UHFFFAOYSA-N 1 2 368.437 2.940 20 30 FFEDLO C=CCCCN(CC)C(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001333170846 1048740991 /nfs/dbraw/zinc/74/09/91/1048740991.db2.gz CQUOYHBMGJINAC-GOSISDBHSA-N 1 2 354.454 2.555 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@](O)(c3ccccc3)C2)C1=O ZINC001329919701 1048968840 /nfs/dbraw/zinc/96/88/40/1048968840.db2.gz KFJKVTYJCMNJRJ-FXAWDEMLSA-N 1 2 367.474 2.709 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@](O)(c3ccccc3)C2)C1=O ZINC001329919701 1048968856 /nfs/dbraw/zinc/96/88/56/1048968856.db2.gz KFJKVTYJCMNJRJ-FXAWDEMLSA-N 1 2 367.474 2.709 20 30 FFEDLO N#Cc1ccc2[nH]c(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccncc3)nc2c1 ZINC001330034104 1049013016 /nfs/dbraw/zinc/01/30/16/1049013016.db2.gz HLVKARCCVIMVJB-SFHVURJKSA-N 1 2 360.421 2.823 20 30 FFEDLO N#Cc1ccc2[nH]c(NC(=O)[C@@H]3CCCC[N@H+]3Cc3ccncc3)nc2c1 ZINC001330034104 1049013031 /nfs/dbraw/zinc/01/30/31/1049013031.db2.gz HLVKARCCVIMVJB-SFHVURJKSA-N 1 2 360.421 2.823 20 30 FFEDLO N#Cc1ccccc1N1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001292564597 1049362003 /nfs/dbraw/zinc/36/20/03/1049362003.db2.gz SHRPCRBGOQFBHL-UHFFFAOYSA-N 1 2 371.444 2.635 20 30 FFEDLO C=CCC[C@H](C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1)c1ccccc1 ZINC001295429586 1049927121 /nfs/dbraw/zinc/92/71/21/1049927121.db2.gz LFMJKULLCHPWEM-OALUTQOASA-N 1 2 356.466 2.633 20 30 FFEDLO C=CC1(CC(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001296147679 1050029372 /nfs/dbraw/zinc/02/93/72/1050029372.db2.gz WSZUTTDXTRUGBF-HZPDHXFCSA-N 1 2 358.486 2.614 20 30 FFEDLO C=CC1(CC(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001296147679 1050029377 /nfs/dbraw/zinc/02/93/77/1050029377.db2.gz WSZUTTDXTRUGBF-HZPDHXFCSA-N 1 2 358.486 2.614 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001341755199 1050371080 /nfs/dbraw/zinc/37/10/80/1050371080.db2.gz DNQFKBCTCOIAQX-LJQANCHMSA-N 1 2 358.490 2.574 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCCC2(CC2)C1 ZINC001340195282 1050602648 /nfs/dbraw/zinc/60/26/48/1050602648.db2.gz KLPAICJTURJOSP-IAGOWNOFSA-N 1 2 357.502 2.770 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCCC2(CC2)C1 ZINC001340195282 1050602652 /nfs/dbraw/zinc/60/26/52/1050602652.db2.gz KLPAICJTURJOSP-IAGOWNOFSA-N 1 2 357.502 2.770 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)Cc1ccco1 ZINC001340194723 1050603041 /nfs/dbraw/zinc/60/30/41/1050603041.db2.gz DOBXWBWMVCKEEH-WBVHZDCISA-N 1 2 357.458 2.619 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)Cc1ccco1 ZINC001340194723 1050603047 /nfs/dbraw/zinc/60/30/47/1050603047.db2.gz DOBXWBWMVCKEEH-WBVHZDCISA-N 1 2 357.458 2.619 20 30 FFEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC(CO)CC1 ZINC001342037507 1050634792 /nfs/dbraw/zinc/63/47/92/1050634792.db2.gz SEFPKRBZDDICRT-GOSISDBHSA-N 1 2 372.517 2.895 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC[C@H](C2CCCCC2)C1 ZINC001340258542 1050664126 /nfs/dbraw/zinc/66/41/26/1050664126.db2.gz MOMUZCAAXHKJQS-BZSNNMDCSA-N 1 2 359.518 2.608 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC[C@H](C2CCCCC2)C1 ZINC001340258542 1050664132 /nfs/dbraw/zinc/66/41/32/1050664132.db2.gz MOMUZCAAXHKJQS-BZSNNMDCSA-N 1 2 359.518 2.608 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@H](CC(F)(F)F)C1 ZINC001340389239 1050781879 /nfs/dbraw/zinc/78/18/79/1050781879.db2.gz FIKHUMWNMYZVKM-UONOGXRCSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@H](CC(F)(F)F)C1 ZINC001340389239 1050781895 /nfs/dbraw/zinc/78/18/95/1050781895.db2.gz FIKHUMWNMYZVKM-UONOGXRCSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)[C@@H]1CCCc2c1cnn2C ZINC001340389749 1050784681 /nfs/dbraw/zinc/78/46/81/1050784681.db2.gz JVUCNASTXJIUMC-SJLPKXTDSA-N 1 2 369.517 2.868 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)[C@@H]1CCCc2c1cnn2C ZINC001340389749 1050784698 /nfs/dbraw/zinc/78/46/98/1050784698.db2.gz JVUCNASTXJIUMC-SJLPKXTDSA-N 1 2 369.517 2.868 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H](OCC)C1 ZINC001340491114 1050888817 /nfs/dbraw/zinc/88/88/17/1050888817.db2.gz DBTAVLHQVLKSRB-GOSISDBHSA-N 1 2 372.517 2.562 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1ccccn1 ZINC001342306487 1050902702 /nfs/dbraw/zinc/90/27/02/1050902702.db2.gz PSNAHWBUXBBRGL-UHFFFAOYSA-N 1 2 365.485 2.589 20 30 FFEDLO C=CCn1c([C@@H](O)C=C)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001342371433 1050964878 /nfs/dbraw/zinc/96/48/78/1050964878.db2.gz IFWSLAWAQLDPGX-KRWDZBQOSA-N 1 2 373.888 2.659 20 30 FFEDLO C#CC[C@@H](CC)c1nnc(N2CCc3cc[nH+]c(N(C)C)c3C2)n1CC ZINC001342515671 1051118839 /nfs/dbraw/zinc/11/88/39/1051118839.db2.gz DWGLNAYLBKEGFH-OAHLLOKOSA-N 1 2 352.486 2.839 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCCC(F)(F)CC1 ZINC001342540845 1051142996 /nfs/dbraw/zinc/14/29/96/1051142996.db2.gz ASKKAIFTSKCDPE-UHFFFAOYSA-N 1 2 350.417 2.804 20 30 FFEDLO O=C(NCC#C[C@@H]1CCCCO1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001342583127 1051188752 /nfs/dbraw/zinc/18/87/52/1051188752.db2.gz JHFYPEYKUPWCHS-IBGZPJMESA-N 1 2 370.497 2.681 20 30 FFEDLO CN(C)c1ncccc1C=[NH+]Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001342843631 1051451968 /nfs/dbraw/zinc/45/19/68/1051451968.db2.gz PFLLTNVTXGAHGZ-UHFFFAOYSA-N 1 2 372.372 2.887 20 30 FFEDLO CCn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001341168675 1051523453 /nfs/dbraw/zinc/52/34/53/1051523453.db2.gz WBQYFILSKHGHTD-DOTOQJQBSA-N 1 2 370.888 2.901 20 30 FFEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001343009539 1051625666 /nfs/dbraw/zinc/62/56/66/1051625666.db2.gz GVECAJWROBAQMZ-QZTJIDSGSA-N 1 2 356.518 2.873 20 30 FFEDLO Cc1cccc(CCCn2c([C@H]3CCOC3)nnc2N(C)C[C@H](C)C#N)[nH+]1 ZINC001542645669 1071273114 /nfs/dbraw/zinc/27/31/14/1071273114.db2.gz QYFVQDVUVJVFNJ-WBVHZDCISA-N 1 2 368.485 2.714 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](CC(C)C)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001343286675 1052135656 /nfs/dbraw/zinc/13/56/56/1052135656.db2.gz GUXSCFXJIBYBRE-UWVAXJGDSA-N 1 2 361.534 2.638 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](CC(C)C)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001343286675 1052135657 /nfs/dbraw/zinc/13/56/57/1052135657.db2.gz GUXSCFXJIBYBRE-UWVAXJGDSA-N 1 2 361.534 2.638 20 30 FFEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCO1 ZINC001343340777 1052173304 /nfs/dbraw/zinc/17/33/04/1052173304.db2.gz IUJYXEOBJHNFID-MSOLQXFVSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCO1 ZINC001343340777 1052173305 /nfs/dbraw/zinc/17/33/05/1052173305.db2.gz IUJYXEOBJHNFID-MSOLQXFVSA-N 1 2 372.517 2.744 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)C[C@@](C)(O)c1ccccc1 ZINC001343456991 1052244218 /nfs/dbraw/zinc/24/42/18/1052244218.db2.gz KQKNGQFPCHUNDW-WIYYLYMNSA-N 1 2 369.513 2.965 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)C[C@@](C)(O)c1ccccc1 ZINC001343456991 1052244224 /nfs/dbraw/zinc/24/42/24/1052244224.db2.gz KQKNGQFPCHUNDW-WIYYLYMNSA-N 1 2 369.513 2.965 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@H]3C[N@@H+](C(C)C)CCO3)n2CC(C)C)C1 ZINC001343470568 1052252332 /nfs/dbraw/zinc/25/23/32/1052252332.db2.gz WCQWWLKGFUTGKR-QZTJIDSGSA-N 1 2 359.518 2.565 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@H]3C[N@H+](C(C)C)CCO3)n2CC(C)C)C1 ZINC001343470568 1052252335 /nfs/dbraw/zinc/25/23/35/1052252335.db2.gz WCQWWLKGFUTGKR-QZTJIDSGSA-N 1 2 359.518 2.565 20 30 FFEDLO C#C[C@@H]1CCCCN1c1nnc(Cc2[nH+]ccn2C)n1Cc1cccs1 ZINC001343547842 1052299044 /nfs/dbraw/zinc/29/90/44/1052299044.db2.gz JRWIRVDIXBSSRU-OAHLLOKOSA-N 1 2 366.494 2.704 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001343553538 1052301815 /nfs/dbraw/zinc/30/18/15/1052301815.db2.gz HYUCZISCKMVBAH-ROUUACIJSA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001343553538 1052301819 /nfs/dbraw/zinc/30/18/19/1052301819.db2.gz HYUCZISCKMVBAH-ROUUACIJSA-N 1 2 359.518 2.874 20 30 FFEDLO CC(C)Cn1c(CCCCC#N)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001343657951 1052360106 /nfs/dbraw/zinc/36/01/06/1052360106.db2.gz MNEVQKMHWKRQDK-UHFFFAOYSA-N 1 2 367.501 2.892 20 30 FFEDLO C#CCC(C)(C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC(=C)C ZINC001343783286 1052418002 /nfs/dbraw/zinc/41/80/02/1052418002.db2.gz LDNZQTCAYBLWRA-UHFFFAOYSA-N 1 2 364.497 2.877 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[C@@H](C#N)c3nccn3C)cc2)C[C@H](C)O1 ZINC001343853192 1052453364 /nfs/dbraw/zinc/45/33/64/1052453364.db2.gz QIPKQZUIOFQBJX-RVKKMQEKSA-N 1 2 352.438 2.519 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C(=O)[C@@H](C#N)c3nccn3C)cc2)C[C@H](C)O1 ZINC001343853192 1052453366 /nfs/dbraw/zinc/45/33/66/1052453366.db2.gz QIPKQZUIOFQBJX-RVKKMQEKSA-N 1 2 352.438 2.519 20 30 FFEDLO CCOCCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCCCC1 ZINC001343937124 1052499357 /nfs/dbraw/zinc/49/93/57/1052499357.db2.gz FBQXLAMWJKGDAB-UHFFFAOYSA-N 1 2 374.533 2.788 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@@H](c2nnc(N3CCC(C)(C#N)CC3)n2CC2CC2)C1 ZINC001345724256 1052588747 /nfs/dbraw/zinc/58/87/47/1052588747.db2.gz LMVWQFCRUXAZSX-QGZVFWFLSA-N 1 2 372.517 2.600 20 30 FFEDLO CC(C)[N@H+]1CCO[C@@H](c2nnc(N3CCC(C)(C#N)CC3)n2CC2CC2)C1 ZINC001345724256 1052588752 /nfs/dbraw/zinc/58/87/52/1052588752.db2.gz LMVWQFCRUXAZSX-QGZVFWFLSA-N 1 2 372.517 2.600 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001345983797 1052695302 /nfs/dbraw/zinc/69/53/02/1052695302.db2.gz HLWWAOIBTCUWNT-ZIAGYGMSSA-N 1 2 373.423 2.606 20 30 FFEDLO Cn1c[nH+]cc1C1CCN(C(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC001344721494 1052903274 /nfs/dbraw/zinc/90/32/74/1052903274.db2.gz MHUPNCNZYFYGDU-UHFFFAOYSA-N 1 2 350.835 2.813 20 30 FFEDLO CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC[N@@H+]2C)n1CC1CC1 ZINC001346602744 1053147789 /nfs/dbraw/zinc/14/77/89/1053147789.db2.gz QSLUIAALWYCQDG-GOSISDBHSA-N 1 2 350.470 2.963 20 30 FFEDLO CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC[N@H+]2C)n1CC1CC1 ZINC001346602744 1053147793 /nfs/dbraw/zinc/14/77/93/1053147793.db2.gz QSLUIAALWYCQDG-GOSISDBHSA-N 1 2 350.470 2.963 20 30 FFEDLO C[C@@H]1C[NH+](C[C@H]2CCCN2c2cc(C#N)sc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001336748165 1054190710 /nfs/dbraw/zinc/19/07/10/1054190710.db2.gz PKMYPBDLXHXYEH-JHJVBQTASA-N 1 2 350.444 2.606 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCSC(C)(C)C1 ZINC001351543557 1054892979 /nfs/dbraw/zinc/89/29/79/1054892979.db2.gz HNIXTKIVLPCPKN-OAHLLOKOSA-N 1 2 365.547 2.578 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCSC(C)(C)C1 ZINC001351543557 1054892984 /nfs/dbraw/zinc/89/29/84/1054892984.db2.gz HNIXTKIVLPCPKN-OAHLLOKOSA-N 1 2 365.547 2.578 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCc2cc(O)ccc2C1 ZINC001351657051 1054941565 /nfs/dbraw/zinc/94/15/65/1054941565.db2.gz QSLBWEVSAPUYKN-UHFFFAOYSA-N 1 2 353.470 2.718 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@]2(CCSC2)C1 ZINC001352092939 1055187358 /nfs/dbraw/zinc/18/73/58/1055187358.db2.gz DZLUEAYOLLPBOJ-GOSISDBHSA-N 1 2 358.515 2.512 20 30 FFEDLO CN(C)c1[nH+]ccc2c1CN(c1nnc(-c3ccc(CC#N)cc3)n1C)CC2 ZINC001338059469 1055202263 /nfs/dbraw/zinc/20/22/63/1055202263.db2.gz LJBCTWREQOXSLP-UHFFFAOYSA-N 1 2 373.464 2.572 20 30 FFEDLO COC(=O)/C=C/c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)o1 ZINC000848883748 1055298080 /nfs/dbraw/zinc/29/80/80/1055298080.db2.gz RZEWOUOYQGLZJV-FNORWQNLSA-N 1 2 369.396 2.799 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001356210692 1055388367 /nfs/dbraw/zinc/38/83/67/1055388367.db2.gz ORHRMRBCEWGDSI-ZWKOTPCHSA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001356210692 1055388376 /nfs/dbraw/zinc/38/83/76/1055388376.db2.gz ORHRMRBCEWGDSI-ZWKOTPCHSA-N 1 2 359.518 2.874 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001356210415 1055389616 /nfs/dbraw/zinc/38/96/16/1055389616.db2.gz MAZCKCOYEOYMLT-ZDUSSCGKSA-N 1 2 373.423 2.515 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001356210415 1055389632 /nfs/dbraw/zinc/38/96/32/1055389632.db2.gz MAZCKCOYEOYMLT-ZDUSSCGKSA-N 1 2 373.423 2.515 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1c(C)noc1C ZINC001356379762 1055480393 /nfs/dbraw/zinc/48/03/93/1055480393.db2.gz ZCGDHSMRPNFFBL-UHFFFAOYSA-N 1 2 371.489 2.632 20 30 FFEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1CCc2cc(Br)ccc2NC1=O ZINC001356545657 1055570090 /nfs/dbraw/zinc/57/00/90/1055570090.db2.gz ZVXKMZBOCRBJDL-ABAIWWIYSA-N 1 2 361.243 2.736 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC001338771992 1055799166 /nfs/dbraw/zinc/79/91/66/1055799166.db2.gz IOEDWAPREULXPB-FJIDUMEYSA-N 1 2 373.545 2.854 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC001338771992 1055799172 /nfs/dbraw/zinc/79/91/72/1055799172.db2.gz IOEDWAPREULXPB-FJIDUMEYSA-N 1 2 373.545 2.854 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCCC2(CCCCC2)C1 ZINC001338776086 1055804520 /nfs/dbraw/zinc/80/45/20/1055804520.db2.gz VPWKNVLTRJNIDU-SJORKVTESA-N 1 2 359.518 2.752 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCCC2(CCCCC2)C1 ZINC001338776086 1055804533 /nfs/dbraw/zinc/80/45/33/1055804533.db2.gz VPWKNVLTRJNIDU-SJORKVTESA-N 1 2 359.518 2.752 20 30 FFEDLO C#C[C@@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC001350543659 1055825323 /nfs/dbraw/zinc/82/53/23/1055825323.db2.gz VIZMQFIJUYDEFN-MAUKXSAKSA-N 1 2 354.429 2.898 20 30 FFEDLO COc1ccccc1CN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001338925206 1055938310 /nfs/dbraw/zinc/93/83/10/1055938310.db2.gz QDRJZAFLUMQDNA-UHFFFAOYSA-N 1 2 368.485 2.553 20 30 FFEDLO CC(C)N(Cc1ccco1)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001338924587 1055938503 /nfs/dbraw/zinc/93/85/03/1055938503.db2.gz NKBCQJAVIUZMJE-UHFFFAOYSA-N 1 2 356.474 2.916 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC2(CCCCC2)CC1 ZINC001339529313 1056551895 /nfs/dbraw/zinc/55/18/95/1056551895.db2.gz HRPGHQBOBDXYFB-DLBZAZTESA-N 1 2 359.518 2.752 20 30 FFEDLO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC2(CCCCC2)CC1 ZINC001339529313 1056551903 /nfs/dbraw/zinc/55/19/03/1056551903.db2.gz HRPGHQBOBDXYFB-DLBZAZTESA-N 1 2 359.518 2.752 20 30 FFEDLO CCn1c([C@H]2C[C@H]2C#N)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001339623487 1056648575 /nfs/dbraw/zinc/64/85/75/1056648575.db2.gz MFMXSVWRAOVXIZ-HOTGVXAUSA-N 1 2 370.888 2.901 20 30 FFEDLO C=CCN(c1nnc(-c2ccccn2)n1Cc1c[nH+]ccc1OC)C1CC1 ZINC001359248833 1056894588 /nfs/dbraw/zinc/89/45/88/1056894588.db2.gz DNEBWQFKMOHDER-UHFFFAOYSA-N 1 2 362.437 2.947 20 30 FFEDLO C=CCN(CC=C)c1nnc(CC2CCCC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001359273782 1056973810 /nfs/dbraw/zinc/97/38/10/1056973810.db2.gz NXFCZAHFPIRQDG-GOSISDBHSA-N 1 2 373.545 2.910 20 30 FFEDLO CCc1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001513791114 1058560270 /nfs/dbraw/zinc/56/02/70/1058560270.db2.gz LPFKJVDFASICCH-AWEZNQCLSA-N 1 2 367.432 2.809 20 30 FFEDLO C=CC[C@H](CO)NC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001448633902 1058799121 /nfs/dbraw/zinc/79/91/21/1058799121.db2.gz YDRFEEBLAVRCMI-HZPDHXFCSA-N 1 2 367.287 2.639 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001515018631 1059228738 /nfs/dbraw/zinc/22/87/38/1059228738.db2.gz CGNMFDOFFSLFKB-INIZCTEOSA-N 1 2 371.489 2.525 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCC1 ZINC001515081467 1059301706 /nfs/dbraw/zinc/30/17/06/1059301706.db2.gz IKDLVLQMEZQYBQ-YLFCFFPRSA-N 1 2 370.497 2.661 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCC1 ZINC001515081467 1059301727 /nfs/dbraw/zinc/30/17/27/1059301727.db2.gz IKDLVLQMEZQYBQ-YLFCFFPRSA-N 1 2 370.497 2.661 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2CCOCCCC)CC1 ZINC001300693269 1059369636 /nfs/dbraw/zinc/36/96/36/1059369636.db2.gz VWRKMPZGFQOWQN-UHFFFAOYSA-N 1 2 367.497 2.517 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CCCCOC(C)C)CC1 ZINC001300698123 1059394066 /nfs/dbraw/zinc/39/40/66/1059394066.db2.gz NYGKRUKSGIGKPW-UHFFFAOYSA-N 1 2 359.518 2.506 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)[C@@H](C)c1ccccc1C ZINC001520289038 1059572117 /nfs/dbraw/zinc/57/21/17/1059572117.db2.gz ISCSBKIDWQBWID-JZXOWHBKSA-N 1 2 355.486 2.707 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)[C@@H](C)c1ccccc1C ZINC001520289038 1059572132 /nfs/dbraw/zinc/57/21/32/1059572132.db2.gz ISCSBKIDWQBWID-JZXOWHBKSA-N 1 2 355.486 2.707 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001507549431 1059635281 /nfs/dbraw/zinc/63/52/81/1059635281.db2.gz ZEJZPILNZORAKJ-YESZJQIVSA-N 1 2 368.485 2.670 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001507836661 1059732047 /nfs/dbraw/zinc/73/20/47/1059732047.db2.gz VFSKWGHJUQSNHU-QGZVFWFLSA-N 1 2 368.485 2.729 20 30 FFEDLO C=CCCC[C@H](NC(=O)c1c[nH+]ccc1Nc1ccccc1)C(=O)OC ZINC001455839037 1059930297 /nfs/dbraw/zinc/93/02/97/1059930297.db2.gz XOVKLSBJLUQKJG-SFHVURJKSA-N 1 2 353.422 2.875 20 30 FFEDLO CC(C)(C)n1ncc2c1nc(N=NC1CCC[N@@H+]3CCCC[C@@H]13)[nH]c2=O ZINC000848405226 1059948378 /nfs/dbraw/zinc/94/83/78/1059948378.db2.gz DFHACDOEOJKQIT-AWEZNQCLSA-N 1 2 357.462 2.703 20 30 FFEDLO CC(C)(C)n1ncc2c1nc(N=NC1CCC[N@H+]3CCCC[C@@H]13)[nH]c2=O ZINC000848405226 1059948402 /nfs/dbraw/zinc/94/84/02/1059948402.db2.gz DFHACDOEOJKQIT-AWEZNQCLSA-N 1 2 357.462 2.703 20 30 FFEDLO CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 ZINC001520841182 1060131131 /nfs/dbraw/zinc/13/11/31/1060131131.db2.gz MJZXGBDTHUEXTH-KXBFYZLASA-N 1 2 356.449 2.933 20 30 FFEDLO CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 ZINC001520841182 1060131145 /nfs/dbraw/zinc/13/11/45/1060131145.db2.gz MJZXGBDTHUEXTH-KXBFYZLASA-N 1 2 356.449 2.933 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)NCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001510046823 1060159872 /nfs/dbraw/zinc/15/98/72/1060159872.db2.gz IJYAHGFOFVETRB-IACUBPJLSA-N 1 2 366.893 2.693 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)NCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001510046823 1060159881 /nfs/dbraw/zinc/15/98/81/1060159881.db2.gz IJYAHGFOFVETRB-IACUBPJLSA-N 1 2 366.893 2.693 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001520919413 1060203265 /nfs/dbraw/zinc/20/32/65/1060203265.db2.gz FSGVWRQDIYNJNK-APWZRJJASA-N 1 2 366.465 2.948 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(CC1CC1)CC1CCC1 ZINC001355480810 1060275513 /nfs/dbraw/zinc/27/55/13/1060275513.db2.gz SJWFVDNNVAMMEZ-UHFFFAOYSA-N 1 2 356.518 2.925 20 30 FFEDLO Cc1cc(NCCNC(=O)[C@@H](C)Oc2ccccc2C#N)nc(C(C)C)[nH+]1 ZINC000600363797 1060312903 /nfs/dbraw/zinc/31/29/03/1060312903.db2.gz BNTNYLVWYMPMQE-OAHLLOKOSA-N 1 2 367.453 2.776 20 30 FFEDLO Cn1c(CCCC#N)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001355661199 1060472778 /nfs/dbraw/zinc/47/27/78/1060472778.db2.gz RXWSRZOCUTXMGE-UHFFFAOYSA-N 1 2 358.877 2.637 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCN(c2ccccc2)CC1 ZINC001355928622 1060735907 /nfs/dbraw/zinc/73/59/07/1060735907.db2.gz DKYXBFUOLUBFCN-IBGZPJMESA-N 1 2 366.513 2.948 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCN(c2ccccc2)CC1 ZINC001355928622 1060735918 /nfs/dbraw/zinc/73/59/18/1060735918.db2.gz DKYXBFUOLUBFCN-IBGZPJMESA-N 1 2 366.513 2.948 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(C)C[C@@](C)(O)c1ccccc1 ZINC001355968694 1060770407 /nfs/dbraw/zinc/77/04/07/1060770407.db2.gz WXPOJPFOMSDRAU-OAQYLSRUSA-N 1 2 369.513 2.794 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001355968864 1060771410 /nfs/dbraw/zinc/77/14/10/1060771410.db2.gz YSEBSAJUDZCMDY-UHFFFAOYSA-N 1 2 370.457 2.995 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@@](C)(C(F)(F)F)C1 ZINC001355976521 1060776311 /nfs/dbraw/zinc/77/63/11/1060776311.db2.gz LYGKRLYHZOGEGJ-MRXNPFEDSA-N 1 2 368.407 2.957 20 30 FFEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3ncccn3)sc2C1 ZINC001460684560 1061061216 /nfs/dbraw/zinc/06/12/16/1061061216.db2.gz ASKXMVQXIYWJGG-ZDUSSCGKSA-N 1 2 369.494 2.995 20 30 FFEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3ncccn3)sc2C1 ZINC001460684560 1061061232 /nfs/dbraw/zinc/06/12/32/1061061232.db2.gz ASKXMVQXIYWJGG-ZDUSSCGKSA-N 1 2 369.494 2.995 20 30 FFEDLO C=CCC(F)(F)C(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001526992293 1061349849 /nfs/dbraw/zinc/34/98/49/1061349849.db2.gz KSSGKTLUSCNYPL-UHFFFAOYSA-N 1 2 355.406 2.686 20 30 FFEDLO COc1cc(Br)c(C[NH2+]CC2(C#N)CCOCC2)cc1OC ZINC001461815122 1061414452 /nfs/dbraw/zinc/41/44/52/1061414452.db2.gz UUGYREKOEZSPHI-UHFFFAOYSA-N 1 2 369.259 2.876 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@H]2C)C1 ZINC000939985165 1061526635 /nfs/dbraw/zinc/52/66/35/1061526635.db2.gz KLVUOLJPYXZLDK-RHSMWYFYSA-N 1 2 355.482 2.940 20 30 FFEDLO CNC(=O)C[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC001462523040 1061657450 /nfs/dbraw/zinc/65/74/50/1061657450.db2.gz NRFCUZJRERWALM-UHFFFAOYSA-N 1 2 373.460 2.707 20 30 FFEDLO CNC(=O)C[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC001462523040 1061657462 /nfs/dbraw/zinc/65/74/62/1061657462.db2.gz NRFCUZJRERWALM-UHFFFAOYSA-N 1 2 373.460 2.707 20 30 FFEDLO C=CC(C)(C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001522169403 1061659897 /nfs/dbraw/zinc/65/98/97/1061659897.db2.gz FUUACOWNDJGZFB-IKGGRYGDSA-N 1 2 372.513 2.777 20 30 FFEDLO C[C@@H]1CSCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1 ZINC001527922016 1061689729 /nfs/dbraw/zinc/68/97/29/1061689729.db2.gz KVYQPBLVKFZCDR-OAHLLOKOSA-N 1 2 374.558 2.723 20 30 FFEDLO C=CCc1cc(CNC(=O)NCc2cc[nH+]c(NC)c2)cc(OC)c1OC ZINC001528002363 1061709620 /nfs/dbraw/zinc/70/96/20/1061709620.db2.gz OETFTUBTALYBLC-UHFFFAOYSA-N 1 2 370.453 2.868 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001522368921 1062040582 /nfs/dbraw/zinc/04/05/82/1062040582.db2.gz FSJFOBAKZYYRQC-GUXCAODWSA-N 1 2 358.486 2.544 20 30 FFEDLO C#C[C@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1)C(C)(C)C ZINC001479138317 1062246690 /nfs/dbraw/zinc/24/66/90/1062246690.db2.gz PBUYPAUIFVATOE-OALUTQOASA-N 1 2 357.498 2.543 20 30 FFEDLO C#C[C@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1)C(C)(C)C ZINC001479138317 1062246707 /nfs/dbraw/zinc/24/67/07/1062246707.db2.gz PBUYPAUIFVATOE-OALUTQOASA-N 1 2 357.498 2.543 20 30 FFEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC001464174202 1062464508 /nfs/dbraw/zinc/46/45/08/1062464508.db2.gz IIVDMXDVBCDDDF-UHFFFAOYSA-N 1 2 370.409 2.539 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)Cc2cc(Cl)sc2Cl)C1 ZINC001464500697 1062649602 /nfs/dbraw/zinc/64/96/02/1062649602.db2.gz VXIRBPYIYZDIIW-NSHDSACASA-N 1 2 367.323 2.572 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)Cc2cc(Cl)sc2Cl)C1 ZINC001464500697 1062649607 /nfs/dbraw/zinc/64/96/07/1062649607.db2.gz VXIRBPYIYZDIIW-NSHDSACASA-N 1 2 367.323 2.572 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CC#Cc2ccccc2)CC[N@@H+]1Cc1ncc(C)o1 ZINC001479647649 1062729098 /nfs/dbraw/zinc/72/90/98/1062729098.db2.gz XTGXTDXSPZPPNP-RBUKOAKNSA-N 1 2 351.450 2.894 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CC#Cc2ccccc2)CC[N@H+]1Cc1ncc(C)o1 ZINC001479647649 1062729112 /nfs/dbraw/zinc/72/91/12/1062729112.db2.gz XTGXTDXSPZPPNP-RBUKOAKNSA-N 1 2 351.450 2.894 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3noc(-c4ccoc4)n3)CC[C@@H]2C1 ZINC001479669805 1062773395 /nfs/dbraw/zinc/77/33/95/1062773395.db2.gz LYZOSUBHQCEKNB-WBVHZDCISA-N 1 2 370.453 2.966 20 30 FFEDLO C=CCCCC(=O)N1C[C@@H]2C[N@H+](Cc3noc(-c4ccoc4)n3)CC[C@@H]2C1 ZINC001479669805 1062773416 /nfs/dbraw/zinc/77/34/16/1062773416.db2.gz LYZOSUBHQCEKNB-WBVHZDCISA-N 1 2 370.453 2.966 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccccc2C)[C@@H]1C ZINC001479704472 1062839383 /nfs/dbraw/zinc/83/93/83/1062839383.db2.gz RJMWRNUZJBXCIN-MJGOQNOKSA-N 1 2 355.482 2.706 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2C)[C@@H]1C ZINC001479704472 1062839400 /nfs/dbraw/zinc/83/94/00/1062839400.db2.gz RJMWRNUZJBXCIN-MJGOQNOKSA-N 1 2 355.482 2.706 20 30 FFEDLO C[C@H](C[N@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001498386618 1063815123 /nfs/dbraw/zinc/81/51/23/1063815123.db2.gz GDGFIJVXUWPGDI-VOBQZIQPSA-N 1 2 366.440 2.833 20 30 FFEDLO C[C@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001498386618 1063815136 /nfs/dbraw/zinc/81/51/36/1063815136.db2.gz GDGFIJVXUWPGDI-VOBQZIQPSA-N 1 2 366.440 2.833 20 30 FFEDLO C=CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H]([NH2+]CC(F)F)C1 ZINC001574916229 1078093217 /nfs/dbraw/zinc/09/32/17/1078093217.db2.gz VCQSVACOIFWAPB-GJZGRUSLSA-N 1 2 369.460 2.572 20 30 FFEDLO C=C(Cl)C[NH+]1CCC(N(Cc2cn[nH]n2)C(=O)[C@H]2CC23CCC3)CC1 ZINC001575059042 1078101716 /nfs/dbraw/zinc/10/17/16/1078101716.db2.gz HTUNBPYVWXXVCJ-MRXNPFEDSA-N 1 2 363.893 2.540 20 30 FFEDLO C=CCC1(C(=O)N2CCC([N@@H+](Cc3c[nH]nn3)CC3CC3)CC2)CCC1 ZINC001575085627 1078104531 /nfs/dbraw/zinc/10/45/31/1078104531.db2.gz OSDAKQUAQOZNCW-UHFFFAOYSA-N 1 2 357.502 2.754 20 30 FFEDLO C=CCC1(C(=O)N2CCC([N@H+](Cc3c[nH]nn3)CC3CC3)CC2)CCC1 ZINC001575085627 1078104539 /nfs/dbraw/zinc/10/45/39/1078104539.db2.gz OSDAKQUAQOZNCW-UHFFFAOYSA-N 1 2 357.502 2.754 20 30 FFEDLO C=CCC1(C(=O)N2CCC([N@@H+](Cc3cn[nH]n3)CC3CC3)CC2)CCC1 ZINC001575085627 1078104543 /nfs/dbraw/zinc/10/45/43/1078104543.db2.gz OSDAKQUAQOZNCW-UHFFFAOYSA-N 1 2 357.502 2.754 20 30 FFEDLO C=CCC1(C(=O)N2CCC([N@H+](Cc3cn[nH]n3)CC3CC3)CC2)CCC1 ZINC001575085627 1078104546 /nfs/dbraw/zinc/10/45/46/1078104546.db2.gz OSDAKQUAQOZNCW-UHFFFAOYSA-N 1 2 357.502 2.754 20 30 FFEDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cc(=O)n3ncc(C#N)c3[nH]2)[C@@H](C)CO1 ZINC001473173582 1065212058 /nfs/dbraw/zinc/21/20/58/1065212058.db2.gz OARKFXTZGPDGIF-KSSFIOAISA-N 1 2 363.421 2.577 20 30 FFEDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cc(=O)n3ncc(C#N)c3[nH]2)[C@@H](C)CO1 ZINC001473173582 1065212065 /nfs/dbraw/zinc/21/20/65/1065212065.db2.gz OARKFXTZGPDGIF-KSSFIOAISA-N 1 2 363.421 2.577 20 30 FFEDLO C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@H+](Cc3cc(C#N)ccn3)C2)O1 ZINC001473748617 1065343918 /nfs/dbraw/zinc/34/39/18/1065343918.db2.gz XTIPYBITBUTOIK-GCJKJVERSA-N 1 2 362.477 2.819 20 30 FFEDLO C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@@H+](Cc3cc(C#N)ccn3)C2)O1 ZINC001473748617 1065343931 /nfs/dbraw/zinc/34/39/31/1065343931.db2.gz XTIPYBITBUTOIK-GCJKJVERSA-N 1 2 362.477 2.819 20 30 FFEDLO COc1ccc([C@H]2C[N@H+](C[C@H](O)CC3(C#N)CCC3)CCO2)cc1OC ZINC001473888486 1065407753 /nfs/dbraw/zinc/40/77/53/1065407753.db2.gz MISJCTICROMMGU-VQIMIIECSA-N 1 2 360.454 2.522 20 30 FFEDLO COc1ccc([C@H]2C[N@@H+](C[C@H](O)CC3(C#N)CCC3)CCO2)cc1OC ZINC001473888486 1065407756 /nfs/dbraw/zinc/40/77/56/1065407756.db2.gz MISJCTICROMMGU-VQIMIIECSA-N 1 2 360.454 2.522 20 30 FFEDLO CON=Cc1ccc(C(=O)N2C[C@H](OC)C[C@@H]2c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001548973837 1073554435 /nfs/dbraw/zinc/55/44/35/1073554435.db2.gz AQGUMWSBGUYVJY-IAGOWNOFSA-N 1 2 356.426 2.609 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001582916046 1079143330 /nfs/dbraw/zinc/14/33/30/1079143330.db2.gz TWLRHDZRXUWWMB-MGPQQGTHSA-N 1 2 366.893 2.549 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001582916046 1079143331 /nfs/dbraw/zinc/14/33/31/1079143331.db2.gz TWLRHDZRXUWWMB-MGPQQGTHSA-N 1 2 366.893 2.549 20 30 FFEDLO COc1cccc([C@H]2CN(C(=O)Cc3c(C)cc(C#N)cc3C)CC[NH2+]2)c1 ZINC001557823276 1075895652 /nfs/dbraw/zinc/89/56/52/1075895652.db2.gz LGVQCVZCJMXOLM-OAQYLSRUSA-N 1 2 363.461 2.899 20 30 FFEDLO C#CC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)CC1 ZINC001559938278 1076203927 /nfs/dbraw/zinc/20/39/27/1076203927.db2.gz CFWCJVOMKYVERD-UHFFFAOYSA-N 1 2 360.479 2.697 20 30 FFEDLO C=CC[N@@H+](CC(C)(C)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC001560679617 1076291163 /nfs/dbraw/zinc/29/11/63/1076291163.db2.gz SVNWLYCUZHFBKF-INIZCTEOSA-N 1 2 367.511 2.657 20 30 FFEDLO C=CC[N@H+](CC(C)(C)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC001560679617 1076291164 /nfs/dbraw/zinc/29/11/64/1076291164.db2.gz SVNWLYCUZHFBKF-INIZCTEOSA-N 1 2 367.511 2.657 20 30 FFEDLO Cc1cc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cc[nH+]1 ZINC001565746245 1076760276 /nfs/dbraw/zinc/76/02/76/1076760276.db2.gz IDJVPBZCTZETLC-UHFFFAOYSA-N 1 2 371.238 2.521 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3nccs3)[C@@H]2CC)CCOCC1 ZINC001566027061 1076863654 /nfs/dbraw/zinc/86/36/54/1076863654.db2.gz RPOJPHUEBGKPPT-JKSUJKDBSA-N 1 2 363.527 2.985 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3nccs3)[C@@H]2CC)CCOCC1 ZINC001566027061 1076863656 /nfs/dbraw/zinc/86/36/56/1076863656.db2.gz RPOJPHUEBGKPPT-JKSUJKDBSA-N 1 2 363.527 2.985 20 30 FFEDLO COCC[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001571640987 1077259771 /nfs/dbraw/zinc/25/97/71/1077259771.db2.gz NMBCHEZKPSYSIU-WOJBJXKFSA-N 1 2 356.510 2.785 20 30 FFEDLO COCC[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001571640987 1077259775 /nfs/dbraw/zinc/25/97/75/1077259775.db2.gz NMBCHEZKPSYSIU-WOJBJXKFSA-N 1 2 356.510 2.785 20 30 FFEDLO N#Cc1cc(Cl)ncc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001586414113 1079621571 /nfs/dbraw/zinc/62/15/71/1079621571.db2.gz IOEYUKCHECCUBD-UHFFFAOYSA-N 1 2 368.740 2.953 20 30 FFEDLO O=C(c1ccc(C#Cc2ccccc2)cc1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001586686502 1079668098 /nfs/dbraw/zinc/66/80/98/1079668098.db2.gz YQPGTPYPTVPXLJ-OAQYLSRUSA-N 1 2 356.429 2.596 20 30 FFEDLO Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)on1 ZINC000104713385 250184070 /nfs/dbraw/zinc/18/40/70/250184070.db2.gz RPSXOLRDWUGZMB-CQSZACIVSA-N 1 2 354.410 2.725 20 30 FFEDLO COc1cc(C#N)ccc1OC[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000153340484 251127065 /nfs/dbraw/zinc/12/70/65/251127065.db2.gz WQOAAWAXXJNQND-INIZCTEOSA-N 1 2 351.406 2.973 20 30 FFEDLO COc1cc(C#N)ccc1OC[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000153340600 251126929 /nfs/dbraw/zinc/12/69/29/251126929.db2.gz WQOAAWAXXJNQND-MRXNPFEDSA-N 1 2 351.406 2.973 20 30 FFEDLO N#Cc1ccc(CN2CCC[C@H]2C[NH+]2CCOCC2)c(Br)c1 ZINC000181121743 251243892 /nfs/dbraw/zinc/24/38/92/251243892.db2.gz YHYGLLRFLKVABW-INIZCTEOSA-N 1 2 364.287 2.617 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278406849 256309057 /nfs/dbraw/zinc/30/90/57/256309057.db2.gz XFXDJCMOZRZXOC-AWEZNQCLSA-N 1 2 368.412 2.963 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCO1 ZINC000278687454 256338214 /nfs/dbraw/zinc/33/82/14/256338214.db2.gz GQYPOPPKPUSUBK-GOEBONIOSA-N 1 2 370.457 2.890 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)C1=O ZINC000289744615 257296742 /nfs/dbraw/zinc/29/67/42/257296742.db2.gz FAZBWLSQQWUGAH-KGLIPLIRSA-N 1 2 361.858 2.522 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)C1=O ZINC000289744615 257296743 /nfs/dbraw/zinc/29/67/43/257296743.db2.gz FAZBWLSQQWUGAH-KGLIPLIRSA-N 1 2 361.858 2.522 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289783723 257299203 /nfs/dbraw/zinc/29/92/03/257299203.db2.gz HHNDPHVYHPNHKX-CQSZACIVSA-N 1 2 364.236 2.947 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289783723 257299204 /nfs/dbraw/zinc/29/92/04/257299204.db2.gz HHNDPHVYHPNHKX-CQSZACIVSA-N 1 2 364.236 2.947 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cncc(C(F)(F)F)c3)CC2)cc1 ZINC000289894356 257305369 /nfs/dbraw/zinc/30/53/69/257305369.db2.gz JUAGJBRDVKZBKT-UHFFFAOYSA-N 1 2 374.366 2.930 20 30 FFEDLO CCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(C#N)cc1 ZINC000290404460 257330254 /nfs/dbraw/zinc/33/02/54/257330254.db2.gz TXEXHJCJDCBMEM-UHFFFAOYSA-N 1 2 368.462 2.511 20 30 FFEDLO CCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(C#N)cc1 ZINC000290404460 257330255 /nfs/dbraw/zinc/33/02/55/257330255.db2.gz TXEXHJCJDCBMEM-UHFFFAOYSA-N 1 2 368.462 2.511 20 30 FFEDLO N#Cc1c(NC[C@H](c2ccc(F)cc2)[NH+]2CCOCC2)nc2ccccn21 ZINC000301146285 258028696 /nfs/dbraw/zinc/02/86/96/258028696.db2.gz GPDGXTAWQBVHAC-GOSISDBHSA-N 1 2 365.412 2.830 20 30 FFEDLO COc1ccc([C@@H](CNc2c(C#N)cccc2C#N)[NH+]2CCOCC2)cc1 ZINC000302489347 258103282 /nfs/dbraw/zinc/10/32/82/258103282.db2.gz YRKQATVQVWVSJT-HXUWFJFHSA-N 1 2 362.433 2.924 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)nn1 ZINC000301917161 258075015 /nfs/dbraw/zinc/07/50/15/258075015.db2.gz JJIIPAXLMRJEJB-UHFFFAOYSA-N 1 2 362.462 2.794 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@@]2(CCCOC2)O1 ZINC000330102259 258155455 /nfs/dbraw/zinc/15/54/55/258155455.db2.gz GAVZLKBTFOHVDA-FZKQIMNGSA-N 1 2 352.381 2.930 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@@]2(CCCOC2)O1 ZINC000330102259 258155456 /nfs/dbraw/zinc/15/54/56/258155456.db2.gz GAVZLKBTFOHVDA-FZKQIMNGSA-N 1 2 352.381 2.930 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c(OC(F)F)c1 ZINC000331858186 258203516 /nfs/dbraw/zinc/20/35/16/258203516.db2.gz AWIFIBJAMMXFRE-XHSDSOJGSA-N 1 2 352.381 2.521 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c(OC(F)F)c1 ZINC000331858186 258203517 /nfs/dbraw/zinc/20/35/17/258203517.db2.gz AWIFIBJAMMXFRE-XHSDSOJGSA-N 1 2 352.381 2.521 20 30 FFEDLO Cc1oc(NC(=O)[C@@H](C)N2CCN(c3c[nH+]ccc3C)CC2)c(C#N)c1C ZINC000331885370 258204310 /nfs/dbraw/zinc/20/43/10/258204310.db2.gz QPKDGVHPVTXQNR-OAHLLOKOSA-N 1 2 367.453 2.621 20 30 FFEDLO CC1CCC(OCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000331937239 258206846 /nfs/dbraw/zinc/20/68/46/258206846.db2.gz FSFGIYUGUQGKFL-UHFFFAOYSA-N 1 2 355.482 2.798 20 30 FFEDLO CC[C@H](OC1CCCC1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000331990480 258209171 /nfs/dbraw/zinc/20/91/71/258209171.db2.gz WSAARLWLGMDWIA-FQEVSTJZSA-N 1 2 355.482 2.940 20 30 FFEDLO CCN1CC[N@H+](Cc2cc(C#N)ccc2Br)C[C@H]1c1ncc[nH]1 ZINC000332388747 258228360 /nfs/dbraw/zinc/22/83/60/258228360.db2.gz YUUFUAXOMJVKBF-INIZCTEOSA-N 1 2 374.286 2.923 20 30 FFEDLO CCN1CC[N@@H+](Cc2cc(C#N)ccc2Br)C[C@H]1c1ncc[nH]1 ZINC000332388747 258228361 /nfs/dbraw/zinc/22/83/61/258228361.db2.gz YUUFUAXOMJVKBF-INIZCTEOSA-N 1 2 374.286 2.923 20 30 FFEDLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000331199556 511049846 /nfs/dbraw/zinc/04/98/46/511049846.db2.gz WBCCWCXQDVXEII-ZDUSSCGKSA-N 1 2 354.248 2.554 20 30 FFEDLO CNC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000331199556 511049853 /nfs/dbraw/zinc/04/98/53/511049853.db2.gz WBCCWCXQDVXEII-ZDUSSCGKSA-N 1 2 354.248 2.554 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccccc1OCC#N)c1ccccc1F ZINC000377460758 512279135 /nfs/dbraw/zinc/27/91/35/512279135.db2.gz PEIRMRCEWWHASM-GOSISDBHSA-N 1 2 364.380 2.981 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)cc1F ZINC000007187439 506542189 /nfs/dbraw/zinc/54/21/89/506542189.db2.gz FQTXUCYIRWZCTP-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO CCOc1cc2c(cc1OCC)C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC2 ZINC000007873300 506597167 /nfs/dbraw/zinc/59/71/67/506597167.db2.gz PLULDBJUFLOJAP-NRFANRHFSA-N 1 2 371.481 2.651 20 30 FFEDLO CCOc1cc2c(cc1OCC)C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC2 ZINC000007873300 506597174 /nfs/dbraw/zinc/59/71/74/506597174.db2.gz PLULDBJUFLOJAP-NRFANRHFSA-N 1 2 371.481 2.651 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CC(=O)NC(C)(C)C)c1 ZINC000042506385 506632837 /nfs/dbraw/zinc/63/28/37/506632837.db2.gz ZTXAXUNTFGVPAO-QGZVFWFLSA-N 1 2 372.513 2.785 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CC(=O)NC(C)(C)C)c1 ZINC000042506385 506632841 /nfs/dbraw/zinc/63/28/41/506632841.db2.gz ZTXAXUNTFGVPAO-QGZVFWFLSA-N 1 2 372.513 2.785 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000042798691 506668953 /nfs/dbraw/zinc/66/89/53/506668953.db2.gz PDZRWCHWLJJSCU-LBPRGKRZSA-N 1 2 354.797 2.943 20 30 FFEDLO C=CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000055277505 506715226 /nfs/dbraw/zinc/71/52/26/506715226.db2.gz UDORQDQEDFGGDS-UHFFFAOYSA-N 1 2 352.482 2.847 20 30 FFEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000367035633 512306900 /nfs/dbraw/zinc/30/69/00/512306900.db2.gz CFARKURYQJFRED-OAHLLOKOSA-N 1 2 355.463 2.901 20 30 FFEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000367035633 512306903 /nfs/dbraw/zinc/30/69/03/512306903.db2.gz CFARKURYQJFRED-OAHLLOKOSA-N 1 2 355.463 2.901 20 30 FFEDLO C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367065215 512320821 /nfs/dbraw/zinc/32/08/21/512320821.db2.gz HNEYFOUFWBNNKM-MRXNPFEDSA-N 1 2 366.440 2.783 20 30 FFEDLO CCOC(=O)c1ccsc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046528767 507149195 /nfs/dbraw/zinc/14/91/95/507149195.db2.gz VBRPTJYDQTWNBQ-UHFFFAOYSA-N 1 2 357.435 2.867 20 30 FFEDLO CCOC(=O)c1ccsc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046528767 507149199 /nfs/dbraw/zinc/14/91/99/507149199.db2.gz VBRPTJYDQTWNBQ-UHFFFAOYSA-N 1 2 357.435 2.867 20 30 FFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046618400 507160398 /nfs/dbraw/zinc/16/03/98/507160398.db2.gz YWXHQYFROWPFDX-HNNXBMFYSA-N 1 2 350.422 2.506 20 30 FFEDLO Cc1c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cnn1C(C)(C)C ZINC000046862220 507210042 /nfs/dbraw/zinc/21/00/42/507210042.db2.gz SOXILKNZRJTHNG-UHFFFAOYSA-N 1 2 365.481 2.776 20 30 FFEDLO N#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1ccc(Cl)c(Cl)c1 ZINC000068457404 507239053 /nfs/dbraw/zinc/23/90/53/507239053.db2.gz JACWFWHQADENET-CQSZACIVSA-N 1 2 373.203 2.964 20 30 FFEDLO C[C@H](C(=O)N(C)C1CCCCC1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022778790 507308981 /nfs/dbraw/zinc/30/89/81/507308981.db2.gz VRAJGUSQTNLABW-GOSISDBHSA-N 1 2 368.525 2.855 20 30 FFEDLO C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000022778790 507308990 /nfs/dbraw/zinc/30/89/90/507308990.db2.gz VRAJGUSQTNLABW-GOSISDBHSA-N 1 2 368.525 2.855 20 30 FFEDLO C[C@H](C(=O)N1CCc2ccccc21)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781517 507309696 /nfs/dbraw/zinc/30/96/96/507309696.db2.gz WBRUZXYWSCOQHO-GOSISDBHSA-N 1 2 374.488 2.654 20 30 FFEDLO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000022781517 507309701 /nfs/dbraw/zinc/30/97/01/507309701.db2.gz WBRUZXYWSCOQHO-GOSISDBHSA-N 1 2 374.488 2.654 20 30 FFEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1OC(F)(F)F ZINC000025246463 507478958 /nfs/dbraw/zinc/47/89/58/507478958.db2.gz WKYISHMMFDXBHF-INIZCTEOSA-N 1 2 355.360 2.825 20 30 FFEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1OC(F)(F)F ZINC000025246463 507478964 /nfs/dbraw/zinc/47/89/64/507478964.db2.gz WKYISHMMFDXBHF-INIZCTEOSA-N 1 2 355.360 2.825 20 30 FFEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000060467937 507548573 /nfs/dbraw/zinc/54/85/73/507548573.db2.gz PWNZZCDRDIJPOF-UHFFFAOYSA-N 1 2 370.416 2.612 20 30 FFEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000060467937 507548579 /nfs/dbraw/zinc/54/85/79/507548579.db2.gz PWNZZCDRDIJPOF-UHFFFAOYSA-N 1 2 370.416 2.612 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NCCCC3CCCCC3)CC2)nc1 ZINC000060480214 507550939 /nfs/dbraw/zinc/55/09/39/507550939.db2.gz DMTYWNOSACKVFO-UHFFFAOYSA-N 1 2 369.513 2.552 20 30 FFEDLO C[N@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1cccc(C#N)c1 ZINC000026328694 507579194 /nfs/dbraw/zinc/57/91/94/507579194.db2.gz FKNUSMHDTFVAQO-UHFFFAOYSA-N 1 2 362.433 2.756 20 30 FFEDLO C[N@@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1cccc(C#N)c1 ZINC000026328694 507579198 /nfs/dbraw/zinc/57/91/98/507579198.db2.gz FKNUSMHDTFVAQO-UHFFFAOYSA-N 1 2 362.433 2.756 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000028694803 507738908 /nfs/dbraw/zinc/73/89/08/507738908.db2.gz KZVDDEBGPQXYSZ-MRXNPFEDSA-N 1 2 360.417 2.887 20 30 FFEDLO C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029446288 507778174 /nfs/dbraw/zinc/77/81/74/507778174.db2.gz PYNOUTCVJUBCQV-CYBMUJFWSA-N 1 2 366.450 2.948 20 30 FFEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029447241 507778415 /nfs/dbraw/zinc/77/84/15/507778415.db2.gz GJVAIUZUTQWUMR-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO COc1ccccc1C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]1CCCO1 ZINC000051799076 507785813 /nfs/dbraw/zinc/78/58/13/507785813.db2.gz NVKBZIIBYRKBPC-RXVVDRJESA-N 1 2 373.497 2.731 20 30 FFEDLO COc1ccccc1C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]1CCCO1 ZINC000051799076 507785814 /nfs/dbraw/zinc/78/58/14/507785814.db2.gz NVKBZIIBYRKBPC-RXVVDRJESA-N 1 2 373.497 2.731 20 30 FFEDLO C=CC[N@H+](CC(=O)NCCOc1ccc2c(c1)OCO2)Cc1cccs1 ZINC000051824550 507786790 /nfs/dbraw/zinc/78/67/90/507786790.db2.gz AASWLKYVYIWAKN-UHFFFAOYSA-N 1 2 374.462 2.660 20 30 FFEDLO C=CC[N@@H+](CC(=O)NCCOc1ccc2c(c1)OCO2)Cc1cccs1 ZINC000051824550 507786794 /nfs/dbraw/zinc/78/67/94/507786794.db2.gz AASWLKYVYIWAKN-UHFFFAOYSA-N 1 2 374.462 2.660 20 30 FFEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000072689289 507842568 /nfs/dbraw/zinc/84/25/68/507842568.db2.gz DJPMXPAUJYQRFN-UHFFFAOYSA-N 1 2 369.469 2.680 20 30 FFEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000072689289 507842569 /nfs/dbraw/zinc/84/25/69/507842569.db2.gz DJPMXPAUJYQRFN-UHFFFAOYSA-N 1 2 369.469 2.680 20 30 FFEDLO CCNC(=O)NC(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000108710872 507913689 /nfs/dbraw/zinc/91/36/89/507913689.db2.gz DGIPAGRHIRTFDF-UHFFFAOYSA-N 1 2 368.412 2.545 20 30 FFEDLO CCNC(=O)NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000108710872 507913692 /nfs/dbraw/zinc/91/36/92/507913692.db2.gz DGIPAGRHIRTFDF-UHFFFAOYSA-N 1 2 368.412 2.545 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000369354454 512367857 /nfs/dbraw/zinc/36/78/57/512367857.db2.gz RWKAQPAFGXVNHQ-ZDUSSCGKSA-N 1 2 364.858 2.513 20 30 FFEDLO C=CC[N@@H+](CCOc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000108870963 507922733 /nfs/dbraw/zinc/92/27/33/507922733.db2.gz LOUWMEALHADBPH-CYBMUJFWSA-N 1 2 363.401 2.759 20 30 FFEDLO C=CC[N@H+](CCOc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000108870963 507922735 /nfs/dbraw/zinc/92/27/35/507922735.db2.gz LOUWMEALHADBPH-CYBMUJFWSA-N 1 2 363.401 2.759 20 30 FFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551331 507926792 /nfs/dbraw/zinc/92/67/92/507926792.db2.gz LTKFDQNTARMBMG-ZWKOTPCHSA-N 1 2 352.394 2.528 20 30 FFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551331 507926793 /nfs/dbraw/zinc/92/67/93/507926793.db2.gz LTKFDQNTARMBMG-ZWKOTPCHSA-N 1 2 352.394 2.528 20 30 FFEDLO N#CCN1CCN(C(=O)Cn2c3ccccc3[nH+]c2C2CCCCC2)CC1 ZINC000090657516 507933177 /nfs/dbraw/zinc/93/31/77/507933177.db2.gz NWGKJFWTGNKMJY-UHFFFAOYSA-N 1 2 365.481 2.752 20 30 FFEDLO N#CCSc1cccc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000079541072 507973160 /nfs/dbraw/zinc/97/31/60/507973160.db2.gz VGZDFWDTBVKIBQ-UHFFFAOYSA-N 1 2 354.357 2.991 20 30 FFEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000091628906 507997766 /nfs/dbraw/zinc/99/77/66/507997766.db2.gz ZBAFCOAHBSUBRY-ZDUSSCGKSA-N 1 2 355.373 2.884 20 30 FFEDLO C=CCOc1ccccc1C[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000091811076 508015086 /nfs/dbraw/zinc/01/50/86/508015086.db2.gz PZCXIUIRMPPDIL-UHFFFAOYSA-N 1 2 352.434 2.915 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(OCc3ccc(F)cc3)CC2)cc1 ZINC000091889089 508021766 /nfs/dbraw/zinc/02/17/66/508021766.db2.gz LIOMEJPRHORHTR-HXUWFJFHSA-N 1 2 367.424 2.905 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1 ZINC000091923208 508024984 /nfs/dbraw/zinc/02/49/84/508024984.db2.gz GRABGPUVEJBTBM-UHFFFAOYSA-N 1 2 352.434 2.915 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc(C2CCC2)s1 ZINC000091936881 508026368 /nfs/dbraw/zinc/02/63/68/508026368.db2.gz LWBZDBPXSALHPH-ZDUSSCGKSA-N 1 2 354.483 2.783 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc(C2CCC2)s1 ZINC000091936881 508026369 /nfs/dbraw/zinc/02/63/69/508026369.db2.gz LWBZDBPXSALHPH-ZDUSSCGKSA-N 1 2 354.483 2.783 20 30 FFEDLO C=CC[N@@H+](Cc1cc(Cl)c(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092360960 508064305 /nfs/dbraw/zinc/06/43/05/508064305.db2.gz IFDMBOHBKUSSKL-AWEZNQCLSA-N 1 2 373.902 2.922 20 30 FFEDLO C=CC[N@H+](Cc1cc(Cl)c(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092360960 508064309 /nfs/dbraw/zinc/06/43/09/508064309.db2.gz IFDMBOHBKUSSKL-AWEZNQCLSA-N 1 2 373.902 2.922 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)O[C@@H](CC)C2)cc1 ZINC000111273917 508084799 /nfs/dbraw/zinc/08/47/99/508084799.db2.gz XNSQOARPFAKSTN-WMZOPIPTSA-N 1 2 359.470 2.831 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)O[C@@H](CC)C2)cc1 ZINC000111273917 508084800 /nfs/dbraw/zinc/08/48/00/508084800.db2.gz XNSQOARPFAKSTN-WMZOPIPTSA-N 1 2 359.470 2.831 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000111363990 508094224 /nfs/dbraw/zinc/09/42/24/508094224.db2.gz GSXGYMDBVBFOGU-OAHLLOKOSA-N 1 2 373.453 2.592 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000111363990 508094226 /nfs/dbraw/zinc/09/42/26/508094226.db2.gz GSXGYMDBVBFOGU-OAHLLOKOSA-N 1 2 373.453 2.592 20 30 FFEDLO Cc1cccc(NC(=O)N2CCN(Cc3c[nH+]c4ccc(C#N)cn34)CC2)c1 ZINC000092760008 508099755 /nfs/dbraw/zinc/09/97/55/508099755.db2.gz IXFJFWOBXGHWPM-UHFFFAOYSA-N 1 2 374.448 2.864 20 30 FFEDLO C[C@@H](C(=O)NCc1ccc(C#N)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000111560857 508108271 /nfs/dbraw/zinc/10/82/71/508108271.db2.gz GWHFXYGGDSSWAK-INIZCTEOSA-N 1 2 366.440 2.524 20 30 FFEDLO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH+]1CCN(CC#N)CC1 ZINC000092936301 508108984 /nfs/dbraw/zinc/10/89/84/508108984.db2.gz XRLLHOSYLBSBDG-UHFFFAOYSA-N 1 2 351.498 2.870 20 30 FFEDLO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+](CCC#N)CC2CC2)c1 ZINC000081044654 508129246 /nfs/dbraw/zinc/12/92/46/508129246.db2.gz ROTCPJBHGZKTBU-LJQANCHMSA-N 1 2 371.481 2.993 20 30 FFEDLO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@@H+](CCC#N)CC2CC2)c1 ZINC000081044654 508129247 /nfs/dbraw/zinc/12/92/47/508129247.db2.gz ROTCPJBHGZKTBU-LJQANCHMSA-N 1 2 371.481 2.993 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000081047639 508129879 /nfs/dbraw/zinc/12/98/79/508129879.db2.gz FZTOLAZGYUMSAK-QGZVFWFLSA-N 1 2 369.387 2.549 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000081047639 508129881 /nfs/dbraw/zinc/12/98/81/508129881.db2.gz FZTOLAZGYUMSAK-QGZVFWFLSA-N 1 2 369.387 2.549 20 30 FFEDLO COc1ccc(C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1OCCCC#N ZINC000093421831 508144744 /nfs/dbraw/zinc/14/47/44/508144744.db2.gz IOTYOGFAIYLLFE-HUUCEWRRSA-N 1 2 368.499 2.631 20 30 FFEDLO COc1ccc(C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1OCCCC#N ZINC000093421831 508144745 /nfs/dbraw/zinc/14/47/45/508144745.db2.gz IOTYOGFAIYLLFE-HUUCEWRRSA-N 1 2 368.499 2.631 20 30 FFEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000081344129 508164983 /nfs/dbraw/zinc/16/49/83/508164983.db2.gz IHWJHUCCGCCVCO-IBGZPJMESA-N 1 2 369.396 2.545 20 30 FFEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000081344129 508164984 /nfs/dbraw/zinc/16/49/84/508164984.db2.gz IHWJHUCCGCCVCO-IBGZPJMESA-N 1 2 369.396 2.545 20 30 FFEDLO CCc1nn(C)c(Cl)c1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000112556925 508197435 /nfs/dbraw/zinc/19/74/35/508197435.db2.gz TWHOLOXXCHYQRW-UHFFFAOYSA-N 1 2 361.852 2.969 20 30 FFEDLO Cc1cccc(N2CC[NH+]([C@H]3CCN(c4sccc4C#N)C3=O)CC2)c1 ZINC000083132519 508237221 /nfs/dbraw/zinc/23/72/21/508237221.db2.gz WZWGWGWVDZJHJZ-SFHVURJKSA-N 1 2 366.490 2.856 20 30 FFEDLO C=CCCC[N@@H+](C)CC(=O)c1cc(C)n([C@@H]2CCS(=O)(=O)C2)c1C ZINC000076735423 508249482 /nfs/dbraw/zinc/24/94/82/508249482.db2.gz LAAFGNVQCCAAKG-MRXNPFEDSA-N 1 2 352.500 2.545 20 30 FFEDLO C=CCCC[N@H+](C)CC(=O)c1cc(C)n([C@@H]2CCS(=O)(=O)C2)c1C ZINC000076735423 508249484 /nfs/dbraw/zinc/24/94/84/508249484.db2.gz LAAFGNVQCCAAKG-MRXNPFEDSA-N 1 2 352.500 2.545 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000077373874 508306905 /nfs/dbraw/zinc/30/69/05/508306905.db2.gz PTSUTSZTCJVROF-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089154697 508390140 /nfs/dbraw/zinc/39/01/40/508390140.db2.gz UMYODNYXMXLIIY-SZMVWBNQSA-N 1 2 364.511 2.531 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089154697 508390143 /nfs/dbraw/zinc/39/01/43/508390143.db2.gz UMYODNYXMXLIIY-SZMVWBNQSA-N 1 2 364.511 2.531 20 30 FFEDLO C[N@H+](Cc1ccc(Br)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115531409 508405891 /nfs/dbraw/zinc/40/58/91/508405891.db2.gz BTMWLGOTRKNKEA-INIZCTEOSA-N 1 2 358.239 2.979 20 30 FFEDLO C[N@@H+](Cc1ccc(Br)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115531409 508405893 /nfs/dbraw/zinc/40/58/93/508405893.db2.gz BTMWLGOTRKNKEA-INIZCTEOSA-N 1 2 358.239 2.979 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(Nc3ccc(F)cc3)CC2)cc1 ZINC000115540188 508406329 /nfs/dbraw/zinc/40/63/29/508406329.db2.gz ORHTZWZYSGLCDR-LJQANCHMSA-N 1 2 352.413 2.800 20 30 FFEDLO Cn1cnnc1[C@H]1CCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000156638447 508455079 /nfs/dbraw/zinc/45/50/79/508455079.db2.gz XITZURSGBMFRFQ-OAHLLOKOSA-N 1 2 350.344 2.902 20 30 FFEDLO Cn1cnnc1[C@H]1CCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000156638447 508455082 /nfs/dbraw/zinc/45/50/82/508455082.db2.gz XITZURSGBMFRFQ-OAHLLOKOSA-N 1 2 350.344 2.902 20 30 FFEDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156814388 508481407 /nfs/dbraw/zinc/48/14/07/508481407.db2.gz VUQHICHPQVRCLZ-IBGZPJMESA-N 1 2 357.479 2.898 20 30 FFEDLO Cn1cccc1[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156814388 508481410 /nfs/dbraw/zinc/48/14/10/508481410.db2.gz VUQHICHPQVRCLZ-IBGZPJMESA-N 1 2 357.479 2.898 20 30 FFEDLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000127687718 508486516 /nfs/dbraw/zinc/48/65/16/508486516.db2.gz AYGIVXKIOQOSQP-HNNXBMFYSA-N 1 2 360.421 2.770 20 30 FFEDLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000127687718 508486520 /nfs/dbraw/zinc/48/65/20/508486520.db2.gz AYGIVXKIOQOSQP-HNNXBMFYSA-N 1 2 360.421 2.770 20 30 FFEDLO CC(C)c1noc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000116402107 508507156 /nfs/dbraw/zinc/50/71/56/508507156.db2.gz JTONXTSYOWTJHR-UHFFFAOYSA-N 1 2 353.426 2.915 20 30 FFEDLO Cc1nc(CC(N)=[NH+]OCC(=O)Nc2c(C)cccc2Cl)cs1 ZINC000157104541 508523742 /nfs/dbraw/zinc/52/37/42/508523742.db2.gz CVWLBTNLPJVTNT-UHFFFAOYSA-N 1 2 352.847 2.883 20 30 FFEDLO COCCn1nc(C)c(C(=O)/C=C/c2[nH+]ccn2CC(F)(F)F)c1C ZINC000122416629 508531489 /nfs/dbraw/zinc/53/14/89/508531489.db2.gz KRJHFGBPWODSLP-SNAWJCMRSA-N 1 2 356.348 2.801 20 30 FFEDLO NC(=NOCc1csc(C2CC2)n1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000153174738 508555171 /nfs/dbraw/zinc/55/51/71/508555171.db2.gz LIBRCFNUZLPSJC-UHFFFAOYSA-N 1 2 372.494 2.690 20 30 FFEDLO CC#CC[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000157376904 508559279 /nfs/dbraw/zinc/55/92/79/508559279.db2.gz YXPXDNSLQNACNX-UHFFFAOYSA-N 1 2 373.806 2.938 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153261715 508565309 /nfs/dbraw/zinc/56/53/09/508565309.db2.gz NKHDTAIWNMYTMB-CQSZACIVSA-N 1 2 370.324 2.844 20 30 FFEDLO C=CCNC(=O)[C@@H](C)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153261715 508565312 /nfs/dbraw/zinc/56/53/12/508565312.db2.gz NKHDTAIWNMYTMB-CQSZACIVSA-N 1 2 370.324 2.844 20 30 FFEDLO CCC(=O)N1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000122739448 508580532 /nfs/dbraw/zinc/58/05/32/508580532.db2.gz QAQJDVKMGXPXHP-GOSISDBHSA-N 1 2 370.497 2.575 20 30 FFEDLO CCC(=O)N1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000122739448 508580535 /nfs/dbraw/zinc/58/05/35/508580535.db2.gz QAQJDVKMGXPXHP-GOSISDBHSA-N 1 2 370.497 2.575 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1)C1CC1 ZINC000157591016 508585178 /nfs/dbraw/zinc/58/51/78/508585178.db2.gz XVPGHMHKUREMIX-MGPUTAFESA-N 1 2 357.429 2.529 20 30 FFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1)C1CC1 ZINC000157591016 508585182 /nfs/dbraw/zinc/58/51/82/508585182.db2.gz XVPGHMHKUREMIX-MGPUTAFESA-N 1 2 357.429 2.529 20 30 FFEDLO C=CCCCCCN(C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000153901656 508672793 /nfs/dbraw/zinc/67/27/93/508672793.db2.gz BNNKHVQBPIGEBV-GOSISDBHSA-N 1 2 355.548 2.582 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000119028877 508709616 /nfs/dbraw/zinc/70/96/16/508709616.db2.gz FNUSDYLLKMUHOF-AWEZNQCLSA-N 1 2 372.469 2.904 20 30 FFEDLO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cn2ccccc2c1C#N ZINC000159067625 508788386 /nfs/dbraw/zinc/78/83/86/508788386.db2.gz SDHUDRAXNZCLCX-UHFFFAOYSA-N 1 2 358.401 2.539 20 30 FFEDLO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cn2ccccc2c1C#N ZINC000159067625 508788390 /nfs/dbraw/zinc/78/83/90/508788390.db2.gz SDHUDRAXNZCLCX-UHFFFAOYSA-N 1 2 358.401 2.539 20 30 FFEDLO CCO[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000140202539 508800996 /nfs/dbraw/zinc/80/09/96/508800996.db2.gz IXCIXHJGESNPSS-OAQYLSRUSA-N 1 2 363.461 2.980 20 30 FFEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000119668873 508841105 /nfs/dbraw/zinc/84/11/05/508841105.db2.gz NQZJZPZHHMZQSU-UHFFFAOYSA-N 1 2 350.378 2.834 20 30 FFEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)c1 ZINC000130935608 508867913 /nfs/dbraw/zinc/86/79/13/508867913.db2.gz MIIWTNWTAWTRAO-UHFFFAOYSA-N 1 2 352.434 2.915 20 30 FFEDLO N#Cc1cc(F)ccc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000119815403 508868083 /nfs/dbraw/zinc/86/80/83/508868083.db2.gz ALRVXPVDALFZCW-SFHVURJKSA-N 1 2 368.412 2.720 20 30 FFEDLO N#Cc1cc(F)ccc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000119815403 508868088 /nfs/dbraw/zinc/86/80/88/508868088.db2.gz ALRVXPVDALFZCW-SFHVURJKSA-N 1 2 368.412 2.720 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159647442 508871144 /nfs/dbraw/zinc/87/11/44/508871144.db2.gz RPKPIIMTRMRMMU-TYCQWZJGSA-N 1 2 355.482 2.603 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159647442 508871147 /nfs/dbraw/zinc/87/11/47/508871147.db2.gz RPKPIIMTRMRMMU-TYCQWZJGSA-N 1 2 355.482 2.603 20 30 FFEDLO C=CCC[C@H](NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000131018527 508877877 /nfs/dbraw/zinc/87/78/77/508877877.db2.gz RAZYIZBHEBJYKB-IBGZPJMESA-N 1 2 367.497 2.955 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155033561 508908636 /nfs/dbraw/zinc/90/86/36/508908636.db2.gz DORLSAVLXJSVTP-LLVKDONJSA-N 1 2 365.359 2.770 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155033561 508908638 /nfs/dbraw/zinc/90/86/38/508908638.db2.gz DORLSAVLXJSVTP-LLVKDONJSA-N 1 2 365.359 2.770 20 30 FFEDLO COc1cccc([C@H]2C[N@H+](CCC(=O)Nc3ccccc3C#N)CCO2)c1 ZINC000120326934 508974280 /nfs/dbraw/zinc/97/42/80/508974280.db2.gz LWSZIZCXFMXJBG-HXUWFJFHSA-N 1 2 365.433 2.969 20 30 FFEDLO COc1cccc([C@H]2C[N@@H+](CCC(=O)Nc3ccccc3C#N)CCO2)c1 ZINC000120326934 508974283 /nfs/dbraw/zinc/97/42/83/508974283.db2.gz LWSZIZCXFMXJBG-HXUWFJFHSA-N 1 2 365.433 2.969 20 30 FFEDLO N#CCC[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000160491983 508994601 /nfs/dbraw/zinc/99/46/01/508994601.db2.gz RLYKOLDZJKZXBU-MOPGFXCFSA-N 1 2 356.470 2.538 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000125635059 509009528 /nfs/dbraw/zinc/00/95/28/509009528.db2.gz CKBAZKIRWNDRFL-GFCCVEGCSA-N 1 2 371.407 2.616 20 30 FFEDLO Cc1nc(CC[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cs1 ZINC000125807466 509032224 /nfs/dbraw/zinc/03/22/24/509032224.db2.gz LNYVMUDDVHNWML-UHFFFAOYSA-N 1 2 369.450 2.936 20 30 FFEDLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(C#N)o1 ZINC000161124320 509075117 /nfs/dbraw/zinc/07/51/17/509075117.db2.gz IGJSVMVXVDGFIA-QGZVFWFLSA-N 1 2 370.405 2.831 20 30 FFEDLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000161124320 509075120 /nfs/dbraw/zinc/07/51/20/509075120.db2.gz IGJSVMVXVDGFIA-QGZVFWFLSA-N 1 2 370.405 2.831 20 30 FFEDLO Cc1ccc2[nH+]c(COc3ccc(C(=O)N(CC#N)CC#N)cc3)cn2c1 ZINC000126607234 509101338 /nfs/dbraw/zinc/10/13/38/509101338.db2.gz HKLKECVJIRIURQ-UHFFFAOYSA-N 1 2 359.389 2.711 20 30 FFEDLO Cn1cc[nH+]c1CN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120984314 509102558 /nfs/dbraw/zinc/10/25/58/509102558.db2.gz JGTYLPDBRPWMDF-MRXNPFEDSA-N 1 2 374.286 2.565 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)c2ccc(C#N)cc2C)[NH+]2CCOCC2)c1 ZINC000161495598 509122261 /nfs/dbraw/zinc/12/22/61/509122261.db2.gz JRRMLPVGXMFTGP-NRFANRHFSA-N 1 2 363.461 2.978 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)CNc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133232158 509135333 /nfs/dbraw/zinc/13/53/33/509135333.db2.gz GATSKEJYOYTABM-ICSRJNTNSA-N 1 2 370.403 2.810 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)CNc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133232158 509135336 /nfs/dbraw/zinc/13/53/36/509135336.db2.gz GATSKEJYOYTABM-ICSRJNTNSA-N 1 2 370.403 2.810 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000121186777 509147213 /nfs/dbraw/zinc/14/72/13/509147213.db2.gz ANUPLYNYSJHJPM-IRXDYDNUSA-N 1 2 358.463 2.953 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000121186777 509147216 /nfs/dbraw/zinc/14/72/16/509147216.db2.gz ANUPLYNYSJHJPM-IRXDYDNUSA-N 1 2 358.463 2.953 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000121233959 509154781 /nfs/dbraw/zinc/15/47/81/509154781.db2.gz XTGFJKAWTKEFCV-UXHICEINSA-N 1 2 352.434 2.891 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000121233959 509154783 /nfs/dbraw/zinc/15/47/83/509154783.db2.gz XTGFJKAWTKEFCV-UXHICEINSA-N 1 2 352.434 2.891 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000121400928 509172173 /nfs/dbraw/zinc/17/21/73/509172173.db2.gz UZFUTJQOANUFKV-CPJSRVTESA-N 1 2 353.491 2.677 20 30 FFEDLO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1cn(-c2ccccc2)nn1 ZINC000185459060 509188228 /nfs/dbraw/zinc/18/82/28/509188228.db2.gz JPKZLUKAIGXXGE-MRXNPFEDSA-N 1 2 366.469 2.603 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CNc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000248124974 509239370 /nfs/dbraw/zinc/23/93/70/509239370.db2.gz LKVVLSPTSFLOBK-IBGZPJMESA-N 1 2 363.396 2.749 20 30 FFEDLO N#Cc1ccc(SCC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000264005582 509276689 /nfs/dbraw/zinc/27/66/89/509276689.db2.gz MRDWLEPYBKLZFE-UHFFFAOYSA-N 1 2 352.463 2.962 20 30 FFEDLO Cc1noc([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)n1 ZINC000264206555 509380415 /nfs/dbraw/zinc/38/04/15/509380415.db2.gz KUEQETRVDDMQDE-AWEZNQCLSA-N 1 2 371.466 2.812 20 30 FFEDLO Cc1noc([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)n1 ZINC000264206555 509380423 /nfs/dbraw/zinc/38/04/23/509380423.db2.gz KUEQETRVDDMQDE-AWEZNQCLSA-N 1 2 371.466 2.812 20 30 FFEDLO C=CC[C@H](CO)NC(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000185904716 509418434 /nfs/dbraw/zinc/41/84/34/509418434.db2.gz YDFCNIRBRGKYTD-QGZVFWFLSA-N 1 2 365.433 2.889 20 30 FFEDLO C#CCCCC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000192247435 509424992 /nfs/dbraw/zinc/42/49/92/509424992.db2.gz PPBFTFNUFGTQHB-KRWDZBQOSA-N 1 2 368.399 2.998 20 30 FFEDLO C=CC[C@H](CO)NC(=O)c1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000185932682 509434308 /nfs/dbraw/zinc/43/43/08/509434308.db2.gz DISWWFNPWOTWMI-QGZVFWFLSA-N 1 2 365.433 2.889 20 30 FFEDLO CCOC(=O)[C@]1(C(C)C)CC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000248732598 509457845 /nfs/dbraw/zinc/45/78/45/509457845.db2.gz LRCVEMGFVWKENT-YLJYHZDGSA-N 1 2 358.438 2.684 20 30 FFEDLO CCOC(=O)[C@]1(C(C)C)CC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000248732598 509457849 /nfs/dbraw/zinc/45/78/49/509457849.db2.gz LRCVEMGFVWKENT-YLJYHZDGSA-N 1 2 358.438 2.684 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267358004 509466085 /nfs/dbraw/zinc/46/60/85/509466085.db2.gz KSYLCCRVFKUQPX-OAHLLOKOSA-N 1 2 368.437 2.709 20 30 FFEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000189598324 509656213 /nfs/dbraw/zinc/65/62/13/509656213.db2.gz CWQHAPIJETWOIG-VQTJNVASSA-N 1 2 350.418 2.724 20 30 FFEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000189598324 509656218 /nfs/dbraw/zinc/65/62/18/509656218.db2.gz CWQHAPIJETWOIG-VQTJNVASSA-N 1 2 350.418 2.724 20 30 FFEDLO CC(C)[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCS1 ZINC000173863351 509822114 /nfs/dbraw/zinc/82/21/14/509822114.db2.gz VNNULFHAHNEPOI-KRWDZBQOSA-N 1 2 369.494 2.756 20 30 FFEDLO CC(C)[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCS1 ZINC000173863351 509822121 /nfs/dbraw/zinc/82/21/21/509822121.db2.gz VNNULFHAHNEPOI-KRWDZBQOSA-N 1 2 369.494 2.756 20 30 FFEDLO Cc1nc2sccn2c1C[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000268251743 509836145 /nfs/dbraw/zinc/83/61/45/509836145.db2.gz OYJOHFJVXVIKSH-UHFFFAOYSA-N 1 2 359.499 2.821 20 30 FFEDLO Cc1nc2sccn2c1C[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000268251743 509836150 /nfs/dbraw/zinc/83/61/50/509836150.db2.gz OYJOHFJVXVIKSH-UHFFFAOYSA-N 1 2 359.499 2.821 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173902267 509843124 /nfs/dbraw/zinc/84/31/24/509843124.db2.gz GYDOEMSQPPUSIA-CVEARBPZSA-N 1 2 374.510 2.877 20 30 FFEDLO CC(C)Oc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccn1 ZINC000268292042 509856218 /nfs/dbraw/zinc/85/62/18/509856218.db2.gz DTIQUTMUAJCSEC-UHFFFAOYSA-N 1 2 364.449 2.698 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000268315852 509867106 /nfs/dbraw/zinc/86/71/06/509867106.db2.gz IMNVZBFKMYHWRC-FUHWJXTLSA-N 1 2 352.438 2.688 20 30 FFEDLO N#Cc1cccc(C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000186756388 509889538 /nfs/dbraw/zinc/88/95/38/509889538.db2.gz XYPDFRWCSIVMCA-UHFFFAOYSA-N 1 2 353.373 2.751 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000183620177 509891011 /nfs/dbraw/zinc/89/10/11/509891011.db2.gz QPANAJKJPMXTIU-GOSISDBHSA-N 1 2 372.513 2.958 20 30 FFEDLO C=CCN(CC=C)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000186865026 509918985 /nfs/dbraw/zinc/91/89/85/509918985.db2.gz KPCUQIJOLSHZGJ-UHFFFAOYSA-N 1 2 356.470 2.557 20 30 FFEDLO N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)cc2)c1N ZINC000171136688 509961283 /nfs/dbraw/zinc/96/12/83/509961283.db2.gz KUSJVJAAXXUEFJ-UHFFFAOYSA-N 1 2 369.388 2.969 20 30 FFEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000171136899 509963452 /nfs/dbraw/zinc/96/34/52/509963452.db2.gz RJRJGCBPMGVVIV-UHFFFAOYSA-N 1 2 352.442 2.864 20 30 FFEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000174225959 510011726 /nfs/dbraw/zinc/01/17/26/510011726.db2.gz XASBXTDSPJEVSL-OAHLLOKOSA-N 1 2 362.474 2.575 20 30 FFEDLO CC(C)(C)c1nc(CN2CC[NH+](Cc3ccc(C#N)cc3F)CC2)no1 ZINC000265420394 510043666 /nfs/dbraw/zinc/04/36/66/510043666.db2.gz ISLIBVIIZVBZQQ-UHFFFAOYSA-N 1 2 357.433 2.696 20 30 FFEDLO C=CCSCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245709423 510101588 /nfs/dbraw/zinc/10/15/88/510101588.db2.gz SMSOIHVTVHSDPV-JKSUJKDBSA-N 1 2 355.454 2.928 20 30 FFEDLO C=CCSCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245709423 510101600 /nfs/dbraw/zinc/10/16/00/510101600.db2.gz SMSOIHVTVHSDPV-JKSUJKDBSA-N 1 2 355.454 2.928 20 30 FFEDLO C=C(Cl)CNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000265705321 510186584 /nfs/dbraw/zinc/18/65/84/510186584.db2.gz VBLORNICRUZQBZ-UHFFFAOYSA-N 1 2 358.829 2.694 20 30 FFEDLO C=C(C)COCCNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000190734882 510316529 /nfs/dbraw/zinc/31/65/29/510316529.db2.gz VEWDPJQZIOFCMJ-UHFFFAOYSA-N 1 2 351.878 2.590 20 30 FFEDLO C=C(C)COCCNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000190734882 510316538 /nfs/dbraw/zinc/31/65/38/510316538.db2.gz VEWDPJQZIOFCMJ-UHFFFAOYSA-N 1 2 351.878 2.590 20 30 FFEDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000184484984 510348881 /nfs/dbraw/zinc/34/88/81/510348881.db2.gz PWTISMFFOHMDFJ-JKSUJKDBSA-N 1 2 357.454 2.939 20 30 FFEDLO CC(C)OC(=O)C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000184484984 510348890 /nfs/dbraw/zinc/34/88/90/510348890.db2.gz PWTISMFFOHMDFJ-JKSUJKDBSA-N 1 2 357.454 2.939 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc(-c2ccco2)s1 ZINC000194432872 510361207 /nfs/dbraw/zinc/36/12/07/510361207.db2.gz HJCATVQWSHGHLR-ZDUSSCGKSA-N 1 2 366.450 2.775 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc(-c2ccco2)s1 ZINC000194432872 510361214 /nfs/dbraw/zinc/36/12/14/510361214.db2.gz HJCATVQWSHGHLR-ZDUSSCGKSA-N 1 2 366.450 2.775 20 30 FFEDLO CCN(CC)C(=O)[C@H](C)O[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000178154946 510461512 /nfs/dbraw/zinc/46/15/12/510461512.db2.gz LSPGTHKERCGKNP-HNNXBMFYSA-N 1 2 370.453 2.554 20 30 FFEDLO N#Cc1cccc(OCC[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000246410614 510474021 /nfs/dbraw/zinc/47/40/21/510474021.db2.gz LVOAYRTWWLHXDO-SJLPKXTDSA-N 1 2 358.463 2.823 20 30 FFEDLO N#Cc1cccc(OCC[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000246410614 510474030 /nfs/dbraw/zinc/47/40/30/510474030.db2.gz LVOAYRTWWLHXDO-SJLPKXTDSA-N 1 2 358.463 2.823 20 30 FFEDLO C=CC[N@@H+](CCOC)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000191115088 510510672 /nfs/dbraw/zinc/51/06/72/510510672.db2.gz AOIKQJZBDAQJFR-MRXNPFEDSA-N 1 2 357.410 2.685 20 30 FFEDLO C=CC[N@H+](CCOC)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000191115088 510510681 /nfs/dbraw/zinc/51/06/81/510510681.db2.gz AOIKQJZBDAQJFR-MRXNPFEDSA-N 1 2 357.410 2.685 20 30 FFEDLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000246592461 510573552 /nfs/dbraw/zinc/57/35/52/510573552.db2.gz JQRMXSRJHHBIPT-RCLSDMTESA-N 1 2 368.525 2.762 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(C#N)c(C)n3)CC2)s1 ZINC000172402723 510708850 /nfs/dbraw/zinc/70/88/50/510708850.db2.gz MNPGMJIDYDBTPA-UHFFFAOYSA-N 1 2 354.479 2.844 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2cccc(C)c2C#N)c1C ZINC000178793320 510775154 /nfs/dbraw/zinc/77/51/54/510775154.db2.gz UXDCHBAVLPPQJW-UHFFFAOYSA-N 1 2 359.451 2.708 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000246976376 510779516 /nfs/dbraw/zinc/77/95/16/510779516.db2.gz GXSQAZFILOPDKK-UZLBHIALSA-N 1 2 359.445 2.775 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000246976376 510779518 /nfs/dbraw/zinc/77/95/18/510779518.db2.gz GXSQAZFILOPDKK-UZLBHIALSA-N 1 2 359.445 2.775 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000246976349 510779654 /nfs/dbraw/zinc/77/96/54/510779654.db2.gz GXSQAZFILOPDKK-OXQOHEQNSA-N 1 2 359.445 2.775 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000246976349 510779656 /nfs/dbraw/zinc/77/96/56/510779656.db2.gz GXSQAZFILOPDKK-OXQOHEQNSA-N 1 2 359.445 2.775 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000182249326 510833895 /nfs/dbraw/zinc/83/38/95/510833895.db2.gz SAGZIBYXUSWAOC-UHFFFAOYSA-N 1 2 371.403 2.904 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000182249326 510833897 /nfs/dbraw/zinc/83/38/97/510833897.db2.gz SAGZIBYXUSWAOC-UHFFFAOYSA-N 1 2 371.403 2.904 20 30 FFEDLO C=C(C)CN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000182264944 510838256 /nfs/dbraw/zinc/83/82/56/510838256.db2.gz VVQAMTJAZXWWGY-QGZVFWFLSA-N 1 2 358.442 2.744 20 30 FFEDLO Cc1coc(-c2ccc(C)c(NC(=O)NC[C@@H]3CN(C)CC[N@@H+]3C)c2)n1 ZINC000329915088 510877281 /nfs/dbraw/zinc/87/72/81/510877281.db2.gz YEDKWSBIGZWLEA-MRXNPFEDSA-N 1 2 357.458 2.530 20 30 FFEDLO Cc1coc(-c2ccc(C)c(NC(=O)NC[C@@H]3CN(C)CC[N@H+]3C)c2)n1 ZINC000329915088 510877289 /nfs/dbraw/zinc/87/72/89/510877289.db2.gz YEDKWSBIGZWLEA-MRXNPFEDSA-N 1 2 357.458 2.530 20 30 FFEDLO COc1c(Cl)cc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1Cl ZINC000329924854 510878317 /nfs/dbraw/zinc/87/83/17/510878317.db2.gz JIXYFRHPAZZQQX-CHWSQXEVSA-N 1 2 360.241 2.562 20 30 FFEDLO COc1c(Cl)cc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1Cl ZINC000329924854 510878321 /nfs/dbraw/zinc/87/83/21/510878321.db2.gz JIXYFRHPAZZQQX-CHWSQXEVSA-N 1 2 360.241 2.562 20 30 FFEDLO CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000329922076 510878503 /nfs/dbraw/zinc/87/85/03/510878503.db2.gz GCYIUGSHMFUTGX-LTIDMASMSA-N 1 2 365.497 2.805 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)[C@@H]1C ZINC000329924207 510879376 /nfs/dbraw/zinc/87/93/76/510879376.db2.gz HNIIBTLVIAHWRV-NRKLIOEPSA-N 1 2 365.497 2.661 20 30 FFEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@@H]2CCCS2)on1 ZINC000329983154 510893447 /nfs/dbraw/zinc/89/34/47/510893447.db2.gz PJMHYVFOPPFXLA-DZKIICNBSA-N 1 2 370.494 2.637 20 30 FFEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@@H]2CCCS2)on1 ZINC000329983154 510893451 /nfs/dbraw/zinc/89/34/51/510893451.db2.gz PJMHYVFOPPFXLA-DZKIICNBSA-N 1 2 370.494 2.637 20 30 FFEDLO CC[C@H](C)n1ncc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1C ZINC000330101412 510917141 /nfs/dbraw/zinc/91/71/41/510917141.db2.gz FMOFXAIZJOEYME-DOTOQJQBSA-N 1 2 363.506 2.895 20 30 FFEDLO COCc1noc([C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000285467920 510918390 /nfs/dbraw/zinc/91/83/90/510918390.db2.gz KKDFOKHPMBWECV-LBPRGKRZSA-N 1 2 360.389 2.831 20 30 FFEDLO COc1cc(Cl)c(Cl)cc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000330144703 510924218 /nfs/dbraw/zinc/92/42/18/510924218.db2.gz ZRRDPPLZFVAPGX-GXTWGEPZSA-N 1 2 360.241 2.562 20 30 FFEDLO COc1cc(Cl)c(Cl)cc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000330144703 510924221 /nfs/dbraw/zinc/92/42/21/510924221.db2.gz ZRRDPPLZFVAPGX-GXTWGEPZSA-N 1 2 360.241 2.562 20 30 FFEDLO Cn1c2ccc(NC(=O)c3cn([C@@H]4CCOC4)nn3)cc2[nH+]c1C1CC1 ZINC000330165386 510928341 /nfs/dbraw/zinc/92/83/41/510928341.db2.gz UMAQEXSEJUKJPP-CYBMUJFWSA-N 1 2 352.398 2.640 20 30 FFEDLO C[C@H]([C@H](C)NC(=O)NC[C@@H]1SCCc2ccccc21)[NH+]1CCOCC1 ZINC000330187616 510932694 /nfs/dbraw/zinc/93/26/94/510932694.db2.gz KNJSTBKCHLHGLW-DAYGRLMNSA-N 1 2 363.527 2.630 20 30 FFEDLO C=CCn1c(C2CC2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000282378036 510952085 /nfs/dbraw/zinc/95/20/85/510952085.db2.gz UXCSZVDEMDSPTC-UHFFFAOYSA-N 1 2 371.460 2.811 20 30 FFEDLO C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[C@@H]1OCCc2sccc21 ZINC000330272351 510953931 /nfs/dbraw/zinc/95/39/31/510953931.db2.gz XMYRGPLXBDXKGL-XEZPLFJOSA-N 1 2 360.483 2.887 20 30 FFEDLO [O-]C(=[NH+][C@@H]1C[C@H]1c1ccccc1Br)N1CCn2cc[nH+]c2C1 ZINC000330292157 510959601 /nfs/dbraw/zinc/95/96/01/510959601.db2.gz HABVHCSTPIURCR-GXTWGEPZSA-N 1 2 361.243 2.931 20 30 FFEDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cc2n(n1)CCCO2 ZINC000330316523 510962456 /nfs/dbraw/zinc/96/24/56/510962456.db2.gz ZIUPEINNDQLBFL-UHFFFAOYSA-N 1 2 355.442 2.946 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NCCOC2CCCCCC2)CCO1 ZINC000330332264 510966961 /nfs/dbraw/zinc/96/69/61/510966961.db2.gz OUKNERGQCCVKHL-QAPCUYQASA-N 1 2 364.490 2.883 20 30 FFEDLO C#CCOc1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000297574680 510997071 /nfs/dbraw/zinc/99/70/71/510997071.db2.gz QSAVNEXFCLTYBU-APWZRJJASA-N 1 2 352.438 2.688 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285657981 510998264 /nfs/dbraw/zinc/99/82/64/510998264.db2.gz YUSPNLAZUHXONQ-MRXNPFEDSA-N 1 2 365.433 2.922 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285657981 510998266 /nfs/dbraw/zinc/99/82/66/510998266.db2.gz YUSPNLAZUHXONQ-MRXNPFEDSA-N 1 2 365.433 2.922 20 30 FFEDLO CC(C)c1nnc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000282491849 510998901 /nfs/dbraw/zinc/99/89/01/510998901.db2.gz UTUXQPQRKCHOAM-UHFFFAOYSA-N 1 2 369.494 2.881 20 30 FFEDLO CC(C)c1nnc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000282491849 510998904 /nfs/dbraw/zinc/99/89/04/510998904.db2.gz UTUXQPQRKCHOAM-UHFFFAOYSA-N 1 2 369.494 2.881 20 30 FFEDLO NC(=[NH+]OC[C@H]1CCS(=O)(=O)C1)c1cccc(Oc2ccccc2)c1 ZINC000278788116 511007542 /nfs/dbraw/zinc/00/75/42/511007542.db2.gz ZXDQYGLKCPYNTD-CQSZACIVSA-N 1 2 360.435 2.551 20 30 FFEDLO Cc1c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cnn1CC(C)C ZINC000270910950 511022913 /nfs/dbraw/zinc/02/29/13/511022913.db2.gz XCQOTYORFCWDOY-UHFFFAOYSA-N 1 2 365.481 2.677 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@](F)(CO)C2)c1 ZINC000286753517 511031771 /nfs/dbraw/zinc/03/17/71/511031771.db2.gz FLMJYXCLNPNOIX-PXNSSMCTSA-N 1 2 361.461 2.735 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@@](F)(CO)C2)c1 ZINC000286753517 511031774 /nfs/dbraw/zinc/03/17/74/511031774.db2.gz FLMJYXCLNPNOIX-PXNSSMCTSA-N 1 2 361.461 2.735 20 30 FFEDLO C[N@H+](CC(=O)NC(=O)NC(C)(C)C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000331030693 511038292 /nfs/dbraw/zinc/03/82/92/511038292.db2.gz ZFYVPMUFKHNRBB-HXUWFJFHSA-N 1 2 359.470 2.786 20 30 FFEDLO C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000331030693 511038297 /nfs/dbraw/zinc/03/82/97/511038297.db2.gz ZFYVPMUFKHNRBB-HXUWFJFHSA-N 1 2 359.470 2.786 20 30 FFEDLO Cc1cccc([C@@H](CNC(=O)[C@@]2(C#N)CC23CCCC3)[NH+]2CCOCC2)c1 ZINC000294432889 511063187 /nfs/dbraw/zinc/06/31/87/511063187.db2.gz KGGNUSUWKNGNFZ-KNQAVFIVSA-N 1 2 367.493 2.959 20 30 FFEDLO CC(=O)c1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000331496406 511066229 /nfs/dbraw/zinc/06/62/29/511066229.db2.gz YLDBCTXDWLJTDE-YCRPNKLZSA-N 1 2 355.482 2.733 20 30 FFEDLO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000331496406 511066232 /nfs/dbraw/zinc/06/62/32/511066232.db2.gz YLDBCTXDWLJTDE-YCRPNKLZSA-N 1 2 355.482 2.733 20 30 FFEDLO Cc1nc(C)n(C[C@H]2C[N@H+](Cc3ccccc3C(C)(C)C#N)CCO2)n1 ZINC000331732150 511072311 /nfs/dbraw/zinc/07/23/11/511072311.db2.gz QMSCYLBFCMOFMZ-GOSISDBHSA-N 1 2 353.470 2.597 20 30 FFEDLO Cc1nc(C)n(C[C@H]2C[N@@H+](Cc3ccccc3C(C)(C)C#N)CCO2)n1 ZINC000331732150 511072317 /nfs/dbraw/zinc/07/23/17/511072317.db2.gz QMSCYLBFCMOFMZ-GOSISDBHSA-N 1 2 353.470 2.597 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(C)(C#N)CC3)c[nH+]2)C[C@@H](C)O1 ZINC000332046871 511076112 /nfs/dbraw/zinc/07/61/12/511076112.db2.gz KVWSTZJJXJTVFW-HZPDHXFCSA-N 1 2 371.485 2.530 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000289236221 511095878 /nfs/dbraw/zinc/09/58/78/511095878.db2.gz OJMOKNUFOBVPDG-RCCFBDPRSA-N 1 2 363.421 2.717 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000289236221 511095881 /nfs/dbraw/zinc/09/58/81/511095881.db2.gz OJMOKNUFOBVPDG-RCCFBDPRSA-N 1 2 363.421 2.717 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1)c1ccccc1 ZINC000289758981 511113838 /nfs/dbraw/zinc/11/38/38/511113838.db2.gz ZCIMMTBOIWDLAG-UYAOXDASSA-N 1 2 353.466 2.967 20 30 FFEDLO N#CCCN(C(=O)C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1)c1ccccc1 ZINC000289758981 511113842 /nfs/dbraw/zinc/11/38/42/511113842.db2.gz ZCIMMTBOIWDLAG-UYAOXDASSA-N 1 2 353.466 2.967 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000332980218 511168307 /nfs/dbraw/zinc/16/83/07/511168307.db2.gz LTHMDHCJQCSAMM-JKSUJKDBSA-N 1 2 374.460 2.795 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000332980218 511168313 /nfs/dbraw/zinc/16/83/13/511168313.db2.gz LTHMDHCJQCSAMM-JKSUJKDBSA-N 1 2 374.460 2.795 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000279735525 511194422 /nfs/dbraw/zinc/19/44/22/511194422.db2.gz KBCDHJLXGRQCCA-DCXXXQMHSA-N 1 2 371.481 2.590 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000279735525 511194426 /nfs/dbraw/zinc/19/44/26/511194426.db2.gz KBCDHJLXGRQCCA-DCXXXQMHSA-N 1 2 371.481 2.590 20 30 FFEDLO COc1cccc(OC)c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000298181070 511200297 /nfs/dbraw/zinc/20/02/97/511200297.db2.gz YCWWJOUHHVBKEX-UHFFFAOYSA-N 1 2 365.433 2.533 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCN(c3ccccc3Cl)C2=O)n1 ZINC000279783252 511213420 /nfs/dbraw/zinc/21/34/20/511213420.db2.gz UQKGLRAVUXYGQZ-SFHVURJKSA-N 1 2 356.857 2.797 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@H]2CCN(c3ccccc3Cl)C2=O)n1 ZINC000279783252 511213425 /nfs/dbraw/zinc/21/34/25/511213425.db2.gz UQKGLRAVUXYGQZ-SFHVURJKSA-N 1 2 356.857 2.797 20 30 FFEDLO C=C(C)Cn1c(CC(C)C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000283052039 511215243 /nfs/dbraw/zinc/21/52/43/511215243.db2.gz VWMUPGVJGVSTDC-UHFFFAOYSA-N 1 2 358.490 2.671 20 30 FFEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000298246778 511221880 /nfs/dbraw/zinc/22/18/80/511221880.db2.gz DBJHLHBRIGQDCP-MRXNPFEDSA-N 1 2 371.441 2.572 20 30 FFEDLO N#C[C@@H]1CN(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CCO1 ZINC000333431110 511241615 /nfs/dbraw/zinc/24/16/15/511241615.db2.gz UMUKLPFREKFMCO-OAHLLOKOSA-N 1 2 351.410 2.643 20 30 FFEDLO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1ncn(C)n1 ZINC000298605367 511345924 /nfs/dbraw/zinc/34/59/24/511345924.db2.gz SQHOPZPYQIBPKB-NWDGAFQWSA-N 1 2 372.498 2.552 20 30 FFEDLO Cc1cc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)ccc1Oc1cc[nH+]cc1 ZINC000280183826 511367341 /nfs/dbraw/zinc/36/73/41/511367341.db2.gz JEWGRIZNUWHXGR-ZDUSSCGKSA-N 1 2 352.394 2.739 20 30 FFEDLO Cn1c2ccc(CNS(=O)(=O)c3cccc(C#N)c3)cc2[nH+]c1C1CC1 ZINC000283621582 511439068 /nfs/dbraw/zinc/43/90/68/511439068.db2.gz WATRZWWXSWIMIP-UHFFFAOYSA-N 1 2 366.446 2.801 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)Nc1cccc(C)c1C#N ZINC000280439635 511466357 /nfs/dbraw/zinc/46/63/57/511466357.db2.gz BZDWPJPFCOFHOA-QGZVFWFLSA-N 1 2 365.437 2.775 20 30 FFEDLO CN(C(=O)[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1)c1ccccc1 ZINC000280497935 511488700 /nfs/dbraw/zinc/48/87/00/511488700.db2.gz BCUJKQYQRFBMLU-HNNXBMFYSA-N 1 2 368.462 2.543 20 30 FFEDLO CN(C(=O)[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1)c1ccccc1 ZINC000280497935 511488706 /nfs/dbraw/zinc/48/87/06/511488706.db2.gz BCUJKQYQRFBMLU-HNNXBMFYSA-N 1 2 368.462 2.543 20 30 FFEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](Cc2ccno2)CC1 ZINC000272651963 511502739 /nfs/dbraw/zinc/50/27/39/511502739.db2.gz NDIJSYBLVDZTAY-MRXNPFEDSA-N 1 2 361.243 2.820 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1 ZINC000280543292 511504269 /nfs/dbraw/zinc/50/42/69/511504269.db2.gz PYVGMLALLOJMFO-LQWHRVPQSA-N 1 2 371.481 2.510 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1 ZINC000280543292 511504273 /nfs/dbraw/zinc/50/42/73/511504273.db2.gz PYVGMLALLOJMFO-LQWHRVPQSA-N 1 2 371.481 2.510 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000363365329 511505275 /nfs/dbraw/zinc/50/52/75/511505275.db2.gz IVDAYEBFWMHJTL-LLVKDONJSA-N 1 2 358.833 2.536 20 30 FFEDLO N#CCCN(C(=O)C[NH+]1CCC(c2nc[nH]n2)CC1)c1cccc(Cl)c1 ZINC000363368164 511507045 /nfs/dbraw/zinc/50/70/45/511507045.db2.gz XUTURUBNEJYVEF-UHFFFAOYSA-N 1 2 372.860 2.584 20 30 FFEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C3CC3)n2)cc1 ZINC000273320747 511522290 /nfs/dbraw/zinc/52/22/90/511522290.db2.gz PRPWTRVBMRLEEL-ZUOKHONESA-N 1 2 367.453 2.758 20 30 FFEDLO COC[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1ccco1 ZINC000273541987 511530669 /nfs/dbraw/zinc/53/06/69/511530669.db2.gz VSVTXKIGCRHRMR-HZPDHXFCSA-N 1 2 371.437 2.901 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(Cl)c2ccccc2n1 ZINC000295850482 511535516 /nfs/dbraw/zinc/53/55/16/511535516.db2.gz NTWUPKHGXPUFQQ-UHFFFAOYSA-N 1 2 372.856 2.576 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000299342711 511599356 /nfs/dbraw/zinc/59/93/56/511599356.db2.gz UIODRHZQCXGXTR-KBXCAEBGSA-N 1 2 373.453 2.624 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3c(F)ccc(O)c3F)CC2)cc1 ZINC000280782867 511600723 /nfs/dbraw/zinc/60/07/23/511600723.db2.gz NWRVFGKDLSSQMP-UHFFFAOYSA-N 1 2 371.387 2.890 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3c(F)ccc(O)c3F)CC2)cc1 ZINC000280782867 511600729 /nfs/dbraw/zinc/60/07/29/511600729.db2.gz NWRVFGKDLSSQMP-UHFFFAOYSA-N 1 2 371.387 2.890 20 30 FFEDLO C#CCOc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000296095247 511618430 /nfs/dbraw/zinc/61/84/30/511618430.db2.gz ABBZUEVJLNDEHH-UHFFFAOYSA-N 1 2 364.449 2.693 20 30 FFEDLO CCC[C@@](C)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)C(=O)OC ZINC000299403682 511623746 /nfs/dbraw/zinc/62/37/46/511623746.db2.gz VEVFOUJJURVATK-GOSISDBHSA-N 1 2 363.483 2.758 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2ccccc2C(=O)c2cccs2)CC1 ZINC000299601426 511666041 /nfs/dbraw/zinc/66/60/41/511666041.db2.gz AUKXYNBYGSUETI-UHFFFAOYSA-N 1 2 352.459 2.760 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)C1=O ZINC000281245644 511773153 /nfs/dbraw/zinc/77/31/53/511773153.db2.gz GLCPPANCXPJILC-XHDPSFHLSA-N 1 2 353.825 2.525 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)C1=O ZINC000281245644 511773156 /nfs/dbraw/zinc/77/31/56/511773156.db2.gz GLCPPANCXPJILC-XHDPSFHLSA-N 1 2 353.825 2.525 20 30 FFEDLO N#Cc1ccc2[nH+]cc(CN3CCNC(=O)[C@H]3c3ccccc3Cl)n2c1 ZINC000363847272 511806176 /nfs/dbraw/zinc/80/61/76/511806176.db2.gz MWXLTVURQNWOFN-GOSISDBHSA-N 1 2 365.824 2.532 20 30 FFEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000366105969 511842086 /nfs/dbraw/zinc/84/20/86/511842086.db2.gz NNNGXMLCQPUDDG-AWEZNQCLSA-N 1 2 355.398 2.573 20 30 FFEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000366105969 511842093 /nfs/dbraw/zinc/84/20/93/511842093.db2.gz NNNGXMLCQPUDDG-AWEZNQCLSA-N 1 2 355.398 2.573 20 30 FFEDLO CCSCc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000274593309 511882909 /nfs/dbraw/zinc/88/29/09/511882909.db2.gz LWYIEAMJIGZDGP-UHFFFAOYSA-N 1 2 370.478 2.757 20 30 FFEDLO CNC(=O)c1ccc([C@@H]2CCCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)n1C ZINC000328629919 511899494 /nfs/dbraw/zinc/89/94/94/511899494.db2.gz ITYCMXAHYDQFOY-JXFKEZNVSA-N 1 2 371.485 2.560 20 30 FFEDLO CNC(=O)c1ccc([C@@H]2CCCC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)n1C ZINC000328629919 511899499 /nfs/dbraw/zinc/89/94/99/511899499.db2.gz ITYCMXAHYDQFOY-JXFKEZNVSA-N 1 2 371.485 2.560 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CC1CC(c2ccccc2)C1 ZINC000281614494 511908494 /nfs/dbraw/zinc/90/84/94/511908494.db2.gz NHFXZDWNQHQDIE-UHFFFAOYSA-N 1 2 355.482 2.645 20 30 FFEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)Nc3cc(C)ccn3)CC2)no1 ZINC000328653504 511909605 /nfs/dbraw/zinc/90/96/05/511909605.db2.gz WWZNEXXBHYNVRP-HNNXBMFYSA-N 1 2 358.446 2.613 20 30 FFEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)Nc3cc(C)ccn3)CC2)no1 ZINC000328653504 511909608 /nfs/dbraw/zinc/90/96/08/511909608.db2.gz WWZNEXXBHYNVRP-HNNXBMFYSA-N 1 2 358.446 2.613 20 30 FFEDLO Cc1cc([C@@H]2CCCN(C([O-])=[NH+]C[C@@H]3CCCn4cc(C)[nH+]c43)C2)n[nH]1 ZINC000328662740 511912751 /nfs/dbraw/zinc/91/27/51/511912751.db2.gz XNUUDFKMODLYCW-JKSUJKDBSA-N 1 2 356.474 2.894 20 30 FFEDLO Cc1cc([C@@H]2CCCN(C([O-])=[NH+]C[C@@H]3CCCn4cc(C)[nH+]c43)C2)[nH]n1 ZINC000328662740 511912759 /nfs/dbraw/zinc/91/27/59/511912759.db2.gz XNUUDFKMODLYCW-JKSUJKDBSA-N 1 2 356.474 2.894 20 30 FFEDLO CNc1cc(N2CCC[C@H]2CNC(=O)N2CCc3cc(F)ccc32)nc[nH+]1 ZINC000328693008 511916718 /nfs/dbraw/zinc/91/67/18/511916718.db2.gz JMDIAQKCSIEGDW-HNNXBMFYSA-N 1 2 370.432 2.603 20 30 FFEDLO CNc1cc(N2CCC[C@H]2CNC(=O)N2CCc3cc(F)ccc32)[nH+]cn1 ZINC000328693008 511916721 /nfs/dbraw/zinc/91/67/21/511916721.db2.gz JMDIAQKCSIEGDW-HNNXBMFYSA-N 1 2 370.432 2.603 20 30 FFEDLO CC1(C)C[N@H+](CCNC(=O)N2CCC(OC3CCCCC3)CC2)CCO1 ZINC000328711605 511919900 /nfs/dbraw/zinc/91/99/00/511919900.db2.gz BGIGFRMDLLSHDJ-UHFFFAOYSA-N 1 2 367.534 2.825 20 30 FFEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCC(OC3CCCCC3)CC2)CCO1 ZINC000328711605 511919904 /nfs/dbraw/zinc/91/99/04/511919904.db2.gz BGIGFRMDLLSHDJ-UHFFFAOYSA-N 1 2 367.534 2.825 20 30 FFEDLO CC1(C)[C@@H]2CN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)C3CCCCC3)C[C@@H]21 ZINC000328750801 511925532 /nfs/dbraw/zinc/92/55/32/511925532.db2.gz CDPBEIUPSGSPKK-BBWFWOEESA-N 1 2 358.486 2.972 20 30 FFEDLO CC1(C)[C@@H]2CN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)C3CCCCC3)C[C@@H]21 ZINC000328750801 511925538 /nfs/dbraw/zinc/92/55/38/511925538.db2.gz CDPBEIUPSGSPKK-BBWFWOEESA-N 1 2 358.486 2.972 20 30 FFEDLO Cc1cn2cc(NC(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)ccc2[nH+]1 ZINC000328836339 511938848 /nfs/dbraw/zinc/93/88/48/511938848.db2.gz MQKKJTIQACKRBW-UHFFFAOYSA-N 1 2 369.425 2.936 20 30 FFEDLO CN1CCOC[C@@H]1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000328959444 511956696 /nfs/dbraw/zinc/95/66/96/511956696.db2.gz OZRNRJXQQKCJAS-MRXNPFEDSA-N 1 2 372.494 2.620 20 30 FFEDLO CN1CCOC[C@@H]1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000328959444 511956700 /nfs/dbraw/zinc/95/67/00/511956700.db2.gz OZRNRJXQQKCJAS-MRXNPFEDSA-N 1 2 372.494 2.620 20 30 FFEDLO C[C@H]1C[C@@H](C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CCC1=O ZINC000328958075 511957583 /nfs/dbraw/zinc/95/75/83/511957583.db2.gz ZWMMBCFGFAQFOA-STQMWFEESA-N 1 2 356.426 2.993 20 30 FFEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C2)n1 ZINC000329019697 511967952 /nfs/dbraw/zinc/96/79/52/511967952.db2.gz HKJWPVOAOIEKMX-ZDUSSCGKSA-N 1 2 358.398 2.617 20 30 FFEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C2)n1 ZINC000329019697 511967959 /nfs/dbraw/zinc/96/79/59/511967959.db2.gz HKJWPVOAOIEKMX-ZDUSSCGKSA-N 1 2 358.398 2.617 20 30 FFEDLO CC(=O)N1CC[N@H+](CC(=O)NCCOc2ccccc2)CC12CCCCC2 ZINC000329028275 511969207 /nfs/dbraw/zinc/96/92/07/511969207.db2.gz KMPLSPTVCWNOMA-UHFFFAOYSA-N 1 2 373.497 2.889 20 30 FFEDLO CC(=O)N1CC[N@@H+](CC(=O)NCCOc2ccccc2)CC12CCCCC2 ZINC000329028275 511969210 /nfs/dbraw/zinc/96/92/10/511969210.db2.gz KMPLSPTVCWNOMA-UHFFFAOYSA-N 1 2 373.497 2.889 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)[C@H]2CCCCS2)CCC(=O)N1C1CC1 ZINC000329040918 511972337 /nfs/dbraw/zinc/97/23/37/511972337.db2.gz SRCNRQNVLVXCIM-FRFSOERESA-N 1 2 362.499 2.857 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000329045804 511973365 /nfs/dbraw/zinc/97/33/65/511973365.db2.gz UVHFSYVCWMGMPY-UAGQMJEPSA-N 1 2 350.507 2.993 20 30 FFEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000329045804 511973372 /nfs/dbraw/zinc/97/33/72/511973372.db2.gz UVHFSYVCWMGMPY-UAGQMJEPSA-N 1 2 350.507 2.993 20 30 FFEDLO COc1cc(C[NH2+][C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)ccc1C#N ZINC000281807155 511974498 /nfs/dbraw/zinc/97/44/98/511974498.db2.gz VRYIEPXJQAODNQ-AWEZNQCLSA-N 1 2 367.413 2.612 20 30 FFEDLO CCN1CCOC[C@H]1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000329057426 511975364 /nfs/dbraw/zinc/97/53/64/511975364.db2.gz MOIYKPKHARECIQ-HIFRSBDPSA-N 1 2 352.504 2.684 20 30 FFEDLO CCN1CCOC[C@H]1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000329057426 511975371 /nfs/dbraw/zinc/97/53/71/511975371.db2.gz MOIYKPKHARECIQ-HIFRSBDPSA-N 1 2 352.504 2.684 20 30 FFEDLO CCN1CCOC[C@@H]1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000329057428 511976103 /nfs/dbraw/zinc/97/61/03/511976103.db2.gz MOIYKPKHARECIQ-UKRRQHHQSA-N 1 2 352.504 2.684 20 30 FFEDLO CCN1CCOC[C@@H]1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000329057428 511976104 /nfs/dbraw/zinc/97/61/04/511976104.db2.gz MOIYKPKHARECIQ-UKRRQHHQSA-N 1 2 352.504 2.684 20 30 FFEDLO CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000329067810 511976997 /nfs/dbraw/zinc/97/69/97/511976997.db2.gz MECRJGRTVYBHBD-FQEVSTJZSA-N 1 2 362.470 2.812 20 30 FFEDLO CC(C)Oc1cccc(CNC(=O)C[N@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000329067810 511977005 /nfs/dbraw/zinc/97/70/05/511977005.db2.gz MECRJGRTVYBHBD-FQEVSTJZSA-N 1 2 362.470 2.812 20 30 FFEDLO CS(=O)(=O)C[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000293480974 511980380 /nfs/dbraw/zinc/98/03/80/511980380.db2.gz YBXOXAUQBXXSKJ-OAHLLOKOSA-N 1 2 359.413 2.814 20 30 FFEDLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000293480974 511980388 /nfs/dbraw/zinc/98/03/88/511980388.db2.gz YBXOXAUQBXXSKJ-OAHLLOKOSA-N 1 2 359.413 2.814 20 30 FFEDLO N#CCCOCC[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000293541147 512001963 /nfs/dbraw/zinc/00/19/63/512001963.db2.gz QHCQOAMQICTWEK-UHFFFAOYSA-N 1 2 356.253 2.681 20 30 FFEDLO CC1(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCCCCC1 ZINC000329240268 512011768 /nfs/dbraw/zinc/01/17/68/512011768.db2.gz QVVMVQGMWRLHIT-UHFFFAOYSA-N 1 2 363.506 2.902 20 30 FFEDLO C[N@@H+]1CCc2nc(NC(=O)C3CCC4(CC3)NC(=O)NC4=O)sc2C1 ZINC000329302809 512022848 /nfs/dbraw/zinc/02/28/48/512022848.db2.gz WOWJZJSNLSYTGB-UHFFFAOYSA-N 1 2 363.443 2.532 20 30 FFEDLO C[N@H+]1CCc2nc(NC(=O)C3CCC4(CC3)NC(=O)NC4=O)sc2C1 ZINC000329302809 512022854 /nfs/dbraw/zinc/02/28/54/512022854.db2.gz WOWJZJSNLSYTGB-UHFFFAOYSA-N 1 2 363.443 2.532 20 30 FFEDLO Cc1oc(C(C)C)nc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000285168775 512025170 /nfs/dbraw/zinc/02/51/70/512025170.db2.gz SZFAMFCMZOHUMD-UHFFFAOYSA-N 1 2 352.438 2.936 20 30 FFEDLO C[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)CC1 ZINC000329315620 512026337 /nfs/dbraw/zinc/02/63/37/512026337.db2.gz HFTIIQKGWNNEQB-IDHHARJASA-N 1 2 373.501 2.651 20 30 FFEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@](C)(O)CC1)C1CCOCC1 ZINC000329386137 512038289 /nfs/dbraw/zinc/03/82/89/512038289.db2.gz QGPPIGAGICNSJT-APWZRJJASA-N 1 2 364.490 2.522 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000282008336 512044311 /nfs/dbraw/zinc/04/43/11/512044311.db2.gz WQDCIIMUXKZBMU-SJLPKXTDSA-N 1 2 352.438 2.871 20 30 FFEDLO CC1(C)CCCc2sc(NC(=O)NCC3([NH+]4CCOCC4)CC3)nc21 ZINC000329443179 512046995 /nfs/dbraw/zinc/04/69/95/512046995.db2.gz BUNMYLPWOHEZBL-UHFFFAOYSA-N 1 2 364.515 2.948 20 30 FFEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000329484514 512055311 /nfs/dbraw/zinc/05/53/11/512055311.db2.gz SICJDVCTWVHPFM-SJLPKXTDSA-N 1 2 360.502 2.780 20 30 FFEDLO CN1CCO[C@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000329484514 512055329 /nfs/dbraw/zinc/05/53/29/512055329.db2.gz SICJDVCTWVHPFM-SJLPKXTDSA-N 1 2 360.502 2.780 20 30 FFEDLO Cc1cnn([C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)C2)c1 ZINC000329546796 512067497 /nfs/dbraw/zinc/06/74/97/512067497.db2.gz HFSMGZUSQBARNS-HZPDHXFCSA-N 1 2 370.501 2.861 20 30 FFEDLO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@H]1c2ccccc2CC12CCOCC2 ZINC000329638304 512080837 /nfs/dbraw/zinc/08/08/37/512080837.db2.gz YYIUVDJQSGKLHI-BEFAXECRSA-N 1 2 366.465 2.865 20 30 FFEDLO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@H]1c2ccccc2CC12CCOCC2 ZINC000329638304 512080838 /nfs/dbraw/zinc/08/08/38/512080838.db2.gz YYIUVDJQSGKLHI-BEFAXECRSA-N 1 2 366.465 2.865 20 30 FFEDLO Cc1[nH]c2c(cc(C)cc2CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1C ZINC000329639253 512080871 /nfs/dbraw/zinc/08/08/71/512080871.db2.gz ZEMIMCLXFIILGD-ZWKOTPCHSA-N 1 2 356.470 2.522 20 30 FFEDLO Cc1[nH]c2c(cc(C)cc2CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1C ZINC000329639253 512080872 /nfs/dbraw/zinc/08/08/72/512080872.db2.gz ZEMIMCLXFIILGD-ZWKOTPCHSA-N 1 2 356.470 2.522 20 30 FFEDLO N#CC1(CS(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000329669339 512084502 /nfs/dbraw/zinc/08/45/02/512084502.db2.gz RJGSNVGFWGEKBZ-GOSISDBHSA-N 1 2 361.511 2.654 20 30 FFEDLO N#CC1(CS(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000329669339 512084517 /nfs/dbraw/zinc/08/45/17/512084517.db2.gz RJGSNVGFWGEKBZ-GOSISDBHSA-N 1 2 361.511 2.654 20 30 FFEDLO C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H](C(C)(C)C)C3)cn2)CC1 ZINC000329671676 512084918 /nfs/dbraw/zinc/08/49/18/512084918.db2.gz UDTJWQLAJCQTKL-QGZVFWFLSA-N 1 2 359.518 2.615 20 30 FFEDLO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329730579 512090873 /nfs/dbraw/zinc/09/08/73/512090873.db2.gz GFZKIBNEVKFIEY-XHSDSOJGSA-N 1 2 361.490 2.540 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000329734203 512092148 /nfs/dbraw/zinc/09/21/48/512092148.db2.gz KDVJWWWTOWZYLH-RHSMWYFYSA-N 1 2 368.437 2.789 20 30 FFEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@H]3CCCCC34CCCC4)CC2)cn1 ZINC000329790784 512098306 /nfs/dbraw/zinc/09/83/06/512098306.db2.gz DABLQTJFQLMVLM-SFHVURJKSA-N 1 2 359.518 2.955 20 30 FFEDLO CCN1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1=O ZINC000329793978 512098315 /nfs/dbraw/zinc/09/83/15/512098315.db2.gz FYNPCFBYADVQMQ-UHFFFAOYSA-N 1 2 353.426 2.554 20 30 FFEDLO O=C(Nc1ccccc1C[NH+]1CCOCC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000329824321 512101989 /nfs/dbraw/zinc/10/19/89/512101989.db2.gz HTZOTICDCOOPIN-HXUWFJFHSA-N 1 2 372.469 2.507 20 30 FFEDLO CC[C@@]1(C)CCCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000329862753 512104539 /nfs/dbraw/zinc/10/45/39/512104539.db2.gz YTMIWVUHOMQFPN-FQEVSTJZSA-N 1 2 373.501 2.527 20 30 FFEDLO Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cn1 ZINC000329890974 512105807 /nfs/dbraw/zinc/10/58/07/512105807.db2.gz HDEWSWSNVWCABM-RLFYNMQTSA-N 1 2 371.485 2.963 20 30 FFEDLO Cc1[nH+]c2ccc(C(=O)N3CCC[C@]4(CCCCO4)[C@@H]3C#N)cc2n1C ZINC000373760931 512492631 /nfs/dbraw/zinc/49/26/31/512492631.db2.gz YHPBBERXCBMFNR-AZUAARDMSA-N 1 2 352.438 2.949 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000375791066 512508811 /nfs/dbraw/zinc/50/88/11/512508811.db2.gz NUAKEEHVGMPPRC-ZWKOTPCHSA-N 1 2 361.417 2.567 20 30 FFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000375791066 512508813 /nfs/dbraw/zinc/50/88/13/512508813.db2.gz NUAKEEHVGMPPRC-ZWKOTPCHSA-N 1 2 361.417 2.567 20 30 FFEDLO N#Cc1c(Br)cccc1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000377990433 512540146 /nfs/dbraw/zinc/54/01/46/512540146.db2.gz PIKOFOVXXUHNDK-OAHLLOKOSA-N 1 2 361.243 2.994 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000371720409 512543397 /nfs/dbraw/zinc/54/33/97/512543397.db2.gz XAELTNNUDCIRST-UHFFFAOYSA-N 1 2 369.425 2.718 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371720409 512543399 /nfs/dbraw/zinc/54/33/99/512543399.db2.gz XAELTNNUDCIRST-UHFFFAOYSA-N 1 2 369.425 2.718 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)c(C#N)c1C ZINC000371866658 512609424 /nfs/dbraw/zinc/60/94/24/512609424.db2.gz OKGIEEHCSVQQES-HNNXBMFYSA-N 1 2 374.510 2.652 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CCCC[C@H]2CN2CCCC2=O)c(C#N)c1C ZINC000371866658 512609431 /nfs/dbraw/zinc/60/94/31/512609431.db2.gz OKGIEEHCSVQQES-HNNXBMFYSA-N 1 2 374.510 2.652 20 30 FFEDLO N#CC1(CC[N@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000411424591 512629892 /nfs/dbraw/zinc/62/98/92/512629892.db2.gz WOEAPOCSCQEIPJ-IAGOWNOFSA-N 1 2 354.516 2.519 20 30 FFEDLO N#CC1(CC[N@@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000411424591 512629897 /nfs/dbraw/zinc/62/98/97/512629897.db2.gz WOEAPOCSCQEIPJ-IAGOWNOFSA-N 1 2 354.516 2.519 20 30 FFEDLO COc1ccc([C@@H](NC(=O)N2CCC(C)(C#N)CC2)c2[nH+]ccn2C)cc1 ZINC000369992821 512716298 /nfs/dbraw/zinc/71/62/98/512716298.db2.gz ATYOKMFUFAKASD-QGZVFWFLSA-N 1 2 367.453 2.853 20 30 FFEDLO N#CC1(C(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)CCCC1 ZINC000372259561 512785287 /nfs/dbraw/zinc/78/52/87/512785287.db2.gz AVOMJNDRFDKJRE-UHFFFAOYSA-N 1 2 352.360 2.833 20 30 FFEDLO N#Cc1cc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)ccc1C(F)(F)F ZINC000374458199 512841853 /nfs/dbraw/zinc/84/18/53/512841853.db2.gz YOLSMRKTKOXFCG-ZDUSSCGKSA-N 1 2 370.356 2.826 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(Cc3cccnc3)CC2)cc1 ZINC000374471913 512848866 /nfs/dbraw/zinc/84/88/66/512848866.db2.gz OBVGWBJKYZVDFX-UHFFFAOYSA-N 1 2 369.490 2.682 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3ccncn3)C2)c(C#N)c1C ZINC000372580566 512953610 /nfs/dbraw/zinc/95/36/10/512953610.db2.gz BWMGGXHUAQBVEY-DZGCQCFKSA-N 1 2 353.426 2.765 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3ccncn3)C2)c(C#N)c1C ZINC000372580566 512953612 /nfs/dbraw/zinc/95/36/12/512953612.db2.gz BWMGGXHUAQBVEY-DZGCQCFKSA-N 1 2 353.426 2.765 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000368455307 512956491 /nfs/dbraw/zinc/95/64/91/512956491.db2.gz OHTQSNNKBOGPNW-GOSISDBHSA-N 1 2 373.391 2.882 20 30 FFEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000372609256 512968502 /nfs/dbraw/zinc/96/85/02/512968502.db2.gz JELQQTQRFXLABW-KRWDZBQOSA-N 1 2 351.454 2.756 20 30 FFEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000372609256 512968509 /nfs/dbraw/zinc/96/85/09/512968509.db2.gz JELQQTQRFXLABW-KRWDZBQOSA-N 1 2 351.454 2.756 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000408365983 513053379 /nfs/dbraw/zinc/05/33/79/513053379.db2.gz MLDAORDGAGWPNL-WWGRRREGSA-N 1 2 361.511 2.918 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000408365983 513053383 /nfs/dbraw/zinc/05/33/83/513053383.db2.gz MLDAORDGAGWPNL-WWGRRREGSA-N 1 2 361.511 2.918 20 30 FFEDLO Cc1cc(-c2nnc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)o2)c(C)o1 ZINC000428816130 513199680 /nfs/dbraw/zinc/19/96/80/513199680.db2.gz HNRUBHCCISYBOU-OAHLLOKOSA-N 1 2 365.393 2.866 20 30 FFEDLO Cc1cc(-c2nnc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)o2)c(C)o1 ZINC000428816130 513199691 /nfs/dbraw/zinc/19/96/91/513199691.db2.gz HNRUBHCCISYBOU-OAHLLOKOSA-N 1 2 365.393 2.866 20 30 FFEDLO Cc1c(Cl)cnc(N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c1C#N ZINC000440649973 513371090 /nfs/dbraw/zinc/37/10/90/513371090.db2.gz ZZIJXVAMJAIMBK-SFHVURJKSA-N 1 2 364.877 2.815 20 30 FFEDLO N#Cc1ncc(C(F)(F)F)cc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000413033391 513397785 /nfs/dbraw/zinc/39/77/85/513397785.db2.gz AHMJPTXORCLBEA-UHFFFAOYSA-N 1 2 363.343 2.816 20 30 FFEDLO Cc1ccc(Cl)c(N(Cc2[nH]cc[nH+]2)C(=O)[C@@H](C)n2cnc(C#N)n2)c1 ZINC000440885586 513429713 /nfs/dbraw/zinc/42/97/13/513429713.db2.gz YKYXXLMLHOMGJQ-GFCCVEGCSA-N 1 2 369.816 2.629 20 30 FFEDLO C=CCOc1ccccc1CNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413150393 513484463 /nfs/dbraw/zinc/48/44/63/513484463.db2.gz WNMUJUBIOLNIJO-WBVHZDCISA-N 1 2 354.454 2.861 20 30 FFEDLO C=CCOc1ccccc1CNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413150393 513484468 /nfs/dbraw/zinc/48/44/68/513484468.db2.gz WNMUJUBIOLNIJO-WBVHZDCISA-N 1 2 354.454 2.861 20 30 FFEDLO CCO[C@H](C)c1noc(C[N@H+](C)CCOc2ccc(C#N)cc2OC)n1 ZINC000441350363 513546779 /nfs/dbraw/zinc/54/67/79/513546779.db2.gz HKIMQGVAXUDFRG-CYBMUJFWSA-N 1 2 360.414 2.558 20 30 FFEDLO CCO[C@H](C)c1noc(C[N@@H+](C)CCOc2ccc(C#N)cc2OC)n1 ZINC000441350363 513546788 /nfs/dbraw/zinc/54/67/88/513546788.db2.gz HKIMQGVAXUDFRG-CYBMUJFWSA-N 1 2 360.414 2.558 20 30 FFEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3nc(C(F)F)no3)CC2)c1 ZINC000425409253 513549671 /nfs/dbraw/zinc/54/96/71/513549671.db2.gz AGMRECFDQCGIHK-UHFFFAOYSA-N 1 2 361.352 2.730 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[NH+]1CCSCC1 ZINC000441519406 513586758 /nfs/dbraw/zinc/58/67/58/513586758.db2.gz AKXWRBKXZLKIAD-JTQLQIEISA-N 1 2 359.373 2.833 20 30 FFEDLO N#Cc1cccc(C2(C(=O)N3CC[NH+](Cc4cccc(O)c4)CC3)CC2)c1 ZINC000435475114 513599855 /nfs/dbraw/zinc/59/98/55/513599855.db2.gz ZQOPEOKTMYYCMY-UHFFFAOYSA-N 1 2 361.445 2.640 20 30 FFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)S(=O)(=O)CC(C)(C)CC#N ZINC000451259871 513630750 /nfs/dbraw/zinc/63/07/50/513630750.db2.gz CPECEBRKBBQFLT-UHFFFAOYSA-N 1 2 360.483 2.633 20 30 FFEDLO N#Cc1cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)ccc1F ZINC000436256901 513810545 /nfs/dbraw/zinc/81/05/45/513810545.db2.gz BTIZHDHEUFUNQL-RTWAWAEBSA-N 1 2 351.425 2.783 20 30 FFEDLO N#Cc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)ccc1F ZINC000436256901 513810551 /nfs/dbraw/zinc/81/05/51/513810551.db2.gz BTIZHDHEUFUNQL-RTWAWAEBSA-N 1 2 351.425 2.783 20 30 FFEDLO N#Cc1cc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)ccc1F ZINC000436256901 513810558 /nfs/dbraw/zinc/81/05/58/513810558.db2.gz BTIZHDHEUFUNQL-RTWAWAEBSA-N 1 2 351.425 2.783 20 30 FFEDLO N#Cc1cc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)ccc1F ZINC000436256901 513810564 /nfs/dbraw/zinc/81/05/64/513810564.db2.gz BTIZHDHEUFUNQL-RTWAWAEBSA-N 1 2 351.425 2.783 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)c(O)c1)c1ccc(F)cc1 ZINC000442903700 513811018 /nfs/dbraw/zinc/81/10/18/513811018.db2.gz TZHINIUTCYBUER-KRWDZBQOSA-N 1 2 350.353 2.656 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)Nc1cccc(C#N)c1 ZINC000431085854 513822566 /nfs/dbraw/zinc/82/25/66/513822566.db2.gz LJYLXOYCSWBTAF-WDEREUQCSA-N 1 2 374.242 2.789 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000413813608 513829041 /nfs/dbraw/zinc/82/90/41/513829041.db2.gz DESCMPJWARYULN-RTWAWAEBSA-N 1 2 370.541 2.595 20 30 FFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000422527505 513832248 /nfs/dbraw/zinc/83/22/48/513832248.db2.gz LYVYQMQRFLVNKB-ZWKOTPCHSA-N 1 2 366.465 2.767 20 30 FFEDLO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(Br)c(F)cc1O ZINC000448798533 513902937 /nfs/dbraw/zinc/90/29/37/513902937.db2.gz HZDNZSWXTPHXMM-UHFFFAOYSA-N 1 2 372.238 2.601 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000414150259 513990917 /nfs/dbraw/zinc/99/09/17/513990917.db2.gz OUGSCTQWAIDSJQ-SFHVURJKSA-N 1 2 371.412 2.663 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000414150259 513990922 /nfs/dbraw/zinc/99/09/22/513990922.db2.gz OUGSCTQWAIDSJQ-SFHVURJKSA-N 1 2 371.412 2.663 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000443639773 514011470 /nfs/dbraw/zinc/01/14/70/514011470.db2.gz LOQLZSROFDNKRJ-KGLIPLIRSA-N 1 2 365.861 2.584 20 30 FFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000443639773 514011472 /nfs/dbraw/zinc/01/14/72/514011472.db2.gz LOQLZSROFDNKRJ-KGLIPLIRSA-N 1 2 365.861 2.584 20 30 FFEDLO CCOC(=O)c1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)[nH]c1C ZINC000449007650 514023543 /nfs/dbraw/zinc/02/35/43/514023543.db2.gz FIOUYTIPJFFZDK-UHFFFAOYSA-N 1 2 352.438 2.694 20 30 FFEDLO Cn1cc(C[NH+]2CCN(CC#Cc3ccc(C(F)(F)F)cc3)CC2)cn1 ZINC000426996455 514087447 /nfs/dbraw/zinc/08/74/47/514087447.db2.gz ALNTVAQXPMYKMG-UHFFFAOYSA-N 1 2 362.399 2.608 20 30 FFEDLO Cn1cc(CN2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)cn1 ZINC000426996455 514087452 /nfs/dbraw/zinc/08/74/52/514087452.db2.gz ALNTVAQXPMYKMG-UHFFFAOYSA-N 1 2 362.399 2.608 20 30 FFEDLO CCn1nnc(C)c1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000449294688 514150514 /nfs/dbraw/zinc/15/05/14/514150514.db2.gz MKHFXMKOZGFMSZ-QGZVFWFLSA-N 1 2 358.877 2.642 20 30 FFEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000437493887 514170519 /nfs/dbraw/zinc/17/05/19/514170519.db2.gz GEKIVYBHXQCSES-UYAOXDASSA-N 1 2 366.465 2.530 20 30 FFEDLO CCN(CC)c1ccc(CNC(=O)c2cc(C#N)cc(N(C)C)c2)c[nH+]1 ZINC000432391501 514180270 /nfs/dbraw/zinc/18/02/70/514180270.db2.gz LLLJXIVRYTYIAO-UHFFFAOYSA-N 1 2 351.454 2.795 20 30 FFEDLO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000427704919 514289754 /nfs/dbraw/zinc/28/97/54/514289754.db2.gz GJMFTTFLFPSULZ-APWZRJJASA-N 1 2 371.481 2.585 20 30 FFEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000438070265 514299245 /nfs/dbraw/zinc/29/92/45/514299245.db2.gz HFURJIBQIHVJJT-IEBWSBKVSA-N 1 2 361.461 2.634 20 30 FFEDLO CNC(=O)c1cccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC000444779702 514329853 /nfs/dbraw/zinc/32/98/53/514329853.db2.gz ZCXLMXUEIYASFD-UHFFFAOYSA-N 1 2 368.868 2.893 20 30 FFEDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000444797842 514336760 /nfs/dbraw/zinc/33/67/60/514336760.db2.gz YPNSOOYKAGPQNW-CQSZACIVSA-N 1 2 358.410 2.559 20 30 FFEDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000444797842 514336767 /nfs/dbraw/zinc/33/67/67/514336767.db2.gz YPNSOOYKAGPQNW-CQSZACIVSA-N 1 2 358.410 2.559 20 30 FFEDLO C=CCOc1cccc(NC(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)c1 ZINC000438664408 514421315 /nfs/dbraw/zinc/42/13/15/514421315.db2.gz HSVHZMVPYQCQEB-UHFFFAOYSA-N 1 2 350.378 2.785 20 30 FFEDLO C=CCn1cc(C[NH2+][C@@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C)cc2)nn1 ZINC000424300461 514449444 /nfs/dbraw/zinc/44/94/44/514449444.db2.gz XRUIMWJDXVXSSH-MOPGFXCFSA-N 1 2 374.510 2.647 20 30 FFEDLO N#C[C@@H](CCc1ccccc1)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000433371354 514475093 /nfs/dbraw/zinc/47/50/93/514475093.db2.gz CWWNHVWABXJLKU-HXUWFJFHSA-N 1 2 363.461 2.809 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)Cc2c[nH+]cn2Cc2ccccc2)c(F)c1 ZINC000445555481 514492525 /nfs/dbraw/zinc/49/25/25/514492525.db2.gz BQFBHLVDCCSJTB-UHFFFAOYSA-N 1 2 355.394 2.916 20 30 FFEDLO Cc1cn2cc(NC(=O)[C@@H]3CCC(=O)N3Cc3cccc(C#N)c3)ccc2[nH+]1 ZINC000475486475 514683707 /nfs/dbraw/zinc/68/37/07/514683707.db2.gz LPAJMTYUEVVZBZ-SFHVURJKSA-N 1 2 373.416 2.644 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455700275 514690890 /nfs/dbraw/zinc/69/08/90/514690890.db2.gz AODYJHMZLBFUCG-HIFRSBDPSA-N 1 2 362.861 2.733 20 30 FFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455700277 514691106 /nfs/dbraw/zinc/69/11/06/514691106.db2.gz AODYJHMZLBFUCG-UKRRQHHQSA-N 1 2 362.861 2.733 20 30 FFEDLO CC(=O)c1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000498221269 514811671 /nfs/dbraw/zinc/81/16/71/514811671.db2.gz GRDMRZPCKKPBTK-UHFFFAOYSA-N 1 2 350.422 2.505 20 30 FFEDLO COc1ccc([C@H](NC(=O)N[C@@H]2CCC[C@@H]2C#N)c2[nH+]ccn2C)cc1 ZINC000461970351 514812018 /nfs/dbraw/zinc/81/20/18/514812018.db2.gz YOWPMFFWTGMJBF-OIISXLGYSA-N 1 2 353.426 2.510 20 30 FFEDLO C=C[C@@H]1CCCC[N@H+]1CCCS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000489417804 514838307 /nfs/dbraw/zinc/83/83/07/514838307.db2.gz XTVYESAWIQTPEX-QGZVFWFLSA-N 1 2 350.484 2.849 20 30 FFEDLO C=C[C@@H]1CCCC[N@@H+]1CCCS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000489417804 514838314 /nfs/dbraw/zinc/83/83/14/514838314.db2.gz XTVYESAWIQTPEX-QGZVFWFLSA-N 1 2 350.484 2.849 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503194166 514952353 /nfs/dbraw/zinc/95/23/53/514952353.db2.gz MAOSELXCIINSAW-CBGDNZLLSA-N 1 2 372.513 2.581 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503194166 514952360 /nfs/dbraw/zinc/95/23/60/514952360.db2.gz MAOSELXCIINSAW-CBGDNZLLSA-N 1 2 372.513 2.581 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c1C#N ZINC000471814140 515020540 /nfs/dbraw/zinc/02/05/40/515020540.db2.gz AURGPPFILQPPHL-UHFFFAOYSA-N 1 2 363.387 2.941 20 30 FFEDLO Cc1cc(NC(=O)CNc2ccc(C#N)cn2)c[nH+]c1N1CCCC[C@@H]1C ZINC000509359000 515140804 /nfs/dbraw/zinc/14/08/04/515140804.db2.gz LRVUOYWQJOGKMS-HNNXBMFYSA-N 1 2 364.453 2.508 20 30 FFEDLO C=CCC[C@@H](CO)NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000454064386 515181668 /nfs/dbraw/zinc/18/16/68/515181668.db2.gz YIAWCUGWFDZDBT-INIZCTEOSA-N 1 2 369.421 2.564 20 30 FFEDLO N#Cc1ccc(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1F ZINC000454238941 515329609 /nfs/dbraw/zinc/32/96/09/515329609.db2.gz ZOVNOLWSNFROBR-UHFFFAOYSA-N 1 2 353.401 2.692 20 30 FFEDLO C=C[C@H](CC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)c1ccccc1 ZINC000472680482 515363250 /nfs/dbraw/zinc/36/32/50/515363250.db2.gz ZCWQJGFGFCJTND-HOJAQTOUSA-N 1 2 370.472 2.809 20 30 FFEDLO C=C[C@H](CC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)c1ccccc1 ZINC000472680482 515363256 /nfs/dbraw/zinc/36/32/56/515363256.db2.gz ZCWQJGFGFCJTND-HOJAQTOUSA-N 1 2 370.472 2.809 20 30 FFEDLO C=CCC1(NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCCCC1 ZINC000454309340 515388639 /nfs/dbraw/zinc/38/86/39/515388639.db2.gz AWAYROPZABEFCL-UHFFFAOYSA-N 1 2 358.486 2.996 20 30 FFEDLO CC(C)c1nc(C2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)no1 ZINC000505288471 515496199 /nfs/dbraw/zinc/49/61/99/515496199.db2.gz WQDONUNOTIHGFK-IFXJQAMLSA-N 1 2 361.490 2.815 20 30 FFEDLO COC(=O)c1ccc(N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)s1 ZINC000459502940 515599923 /nfs/dbraw/zinc/59/99/23/515599923.db2.gz AWLZXLZUJNCBLA-UHFFFAOYSA-N 1 2 358.438 2.848 20 30 FFEDLO C=CC[C@H]1N(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CCCC1(C)C ZINC000500293590 515659216 /nfs/dbraw/zinc/65/92/16/515659216.db2.gz WVMDKJZMUVLMMW-MRXNPFEDSA-N 1 2 354.454 2.544 20 30 FFEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@H+](CC)C[C@H](C)C#N ZINC000506060108 515765068 /nfs/dbraw/zinc/76/50/68/515765068.db2.gz DTPFUEYVFNQOLA-CVEARBPZSA-N 1 2 358.486 2.516 20 30 FFEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@@H+](CC)C[C@H](C)C#N ZINC000506060108 515765075 /nfs/dbraw/zinc/76/50/75/515765075.db2.gz DTPFUEYVFNQOLA-CVEARBPZSA-N 1 2 358.486 2.516 20 30 FFEDLO CCN(CCC#N)C(=O)CN1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000511072899 515767175 /nfs/dbraw/zinc/76/71/75/515767175.db2.gz MYIQFTRPVRKGJQ-UHFFFAOYSA-N 1 2 362.905 2.528 20 30 FFEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2C)CC1 ZINC000511072899 515767186 /nfs/dbraw/zinc/76/71/86/515767186.db2.gz MYIQFTRPVRKGJQ-UHFFFAOYSA-N 1 2 362.905 2.528 20 30 FFEDLO CCc1ccc(-c2noc([C@H](C)[NH2+][C@H](C)C(=O)NC3(C#N)CCC3)n2)cc1 ZINC000469337960 515775649 /nfs/dbraw/zinc/77/56/49/515775649.db2.gz ZZMYOGZRBBEQNC-KGLIPLIRSA-N 1 2 367.453 2.901 20 30 FFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000500665891 515809764 /nfs/dbraw/zinc/80/97/64/515809764.db2.gz RKFMVYKKCARWDL-UHFFFAOYSA-N 1 2 352.463 2.703 20 30 FFEDLO Cc1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nn1-c1cccc(C#N)c1 ZINC000506213482 515819456 /nfs/dbraw/zinc/81/94/56/515819456.db2.gz CPLFHLKNOFBEKI-MRXNPFEDSA-N 1 2 360.421 2.795 20 30 FFEDLO CCOC(=O)c1coc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000474108770 515887701 /nfs/dbraw/zinc/88/77/01/515887701.db2.gz TYZVHZXERXMLIB-UHFFFAOYSA-N 1 2 353.422 2.646 20 30 FFEDLO C[C@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@]2(CCOC2)O1 ZINC000483186042 515975338 /nfs/dbraw/zinc/97/53/38/515975338.db2.gz OYQZIVUSGLLLJQ-YOEHRIQHSA-N 1 2 355.356 2.817 20 30 FFEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@]2(CCOC2)O1 ZINC000483186042 515975348 /nfs/dbraw/zinc/97/53/48/515975348.db2.gz OYQZIVUSGLLLJQ-YOEHRIQHSA-N 1 2 355.356 2.817 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000501192100 516012594 /nfs/dbraw/zinc/01/25/94/516012594.db2.gz OEQHPXFHHSDNQK-DLBZAZTESA-N 1 2 369.490 2.842 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000501192100 516012601 /nfs/dbraw/zinc/01/26/01/516012601.db2.gz OEQHPXFHHSDNQK-DLBZAZTESA-N 1 2 369.490 2.842 20 30 FFEDLO CCC(CC)(CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC000494993644 516029006 /nfs/dbraw/zinc/02/90/06/516029006.db2.gz ISZONGVQIINRKJ-UHFFFAOYSA-N 1 2 358.486 2.591 20 30 FFEDLO C=CCOc1ccccc1CNC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000474456882 516052838 /nfs/dbraw/zinc/05/28/38/516052838.db2.gz LZRUCHWPUQRKFE-KRWDZBQOSA-N 1 2 369.469 2.563 20 30 FFEDLO Cc1cc(C)c(CNC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)c[nH+]1 ZINC000455253103 516072746 /nfs/dbraw/zinc/07/27/46/516072746.db2.gz LGZSSCNNXIDPSS-AWEZNQCLSA-N 1 2 372.450 2.706 20 30 FFEDLO C[C@H]1CCC[C@@](C#N)(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000479147121 516077381 /nfs/dbraw/zinc/07/73/81/516077381.db2.gz YOVYHFJKEDAISZ-MAUKXSAKSA-N 1 2 358.467 2.682 20 30 FFEDLO CC(C)N(C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1)C1CCCC1 ZINC000507162859 516108936 /nfs/dbraw/zinc/10/89/36/516108936.db2.gz FPEWNYYAUQLANF-UHFFFAOYSA-N 1 2 372.488 2.999 20 30 FFEDLO COc1ccc(OC)c(C[NH+]2CCN(CC#Cc3ccccc3)CC2)c1 ZINC000483510869 516114972 /nfs/dbraw/zinc/11/49/72/516114972.db2.gz ASVJOACKPCBGLD-UHFFFAOYSA-N 1 2 350.462 2.873 20 30 FFEDLO COc1ccc(OC)c(CN2CC[NH+](CC#Cc3ccccc3)CC2)c1 ZINC000483510869 516114980 /nfs/dbraw/zinc/11/49/80/516114980.db2.gz ASVJOACKPCBGLD-UHFFFAOYSA-N 1 2 350.462 2.873 20 30 FFEDLO CCc1cccc2c(C(=O)[C@H]([NH2+]CC(=O)NCC#N)c3ccccc3)c[nH]c21 ZINC000507276261 516152101 /nfs/dbraw/zinc/15/21/01/516152101.db2.gz FSDWPQINFZRUSM-OAQYLSRUSA-N 1 2 374.444 2.884 20 30 FFEDLO C[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000507305122 516166366 /nfs/dbraw/zinc/16/63/66/516166366.db2.gz UFHWNABBDCZVCU-CLCXKQKWSA-N 1 2 360.458 2.554 20 30 FFEDLO N#CC[C@H](CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1ccccc1 ZINC000474772515 516188652 /nfs/dbraw/zinc/18/86/52/516188652.db2.gz GCZXMTFHTHKCTN-LJQANCHMSA-N 1 2 364.449 2.622 20 30 FFEDLO C=CCn1cccc1C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000488482705 516236745 /nfs/dbraw/zinc/23/67/45/516236745.db2.gz GFZSEDIBRLVVCH-HXUWFJFHSA-N 1 2 353.466 2.786 20 30 FFEDLO CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000497472348 516323347 /nfs/dbraw/zinc/32/33/47/516323347.db2.gz KVCQNBQRGVVLHZ-MRXNPFEDSA-N 1 2 363.465 2.665 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000550630428 516360024 /nfs/dbraw/zinc/36/00/24/516360024.db2.gz GDHLIBBMAOQNEO-PBHICJAKSA-N 1 2 372.444 2.626 20 30 FFEDLO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528368462 516383937 /nfs/dbraw/zinc/38/39/37/516383937.db2.gz MIVWTYMJOWHLNE-UWJYYQICSA-N 1 2 374.440 2.748 20 30 FFEDLO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528368462 516383943 /nfs/dbraw/zinc/38/39/43/516383943.db2.gz MIVWTYMJOWHLNE-UWJYYQICSA-N 1 2 374.440 2.748 20 30 FFEDLO Cc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)nn1-c1cccc(C#N)c1 ZINC000561116073 516388241 /nfs/dbraw/zinc/38/82/41/516388241.db2.gz OZIYNRFCAIGQEA-GOSISDBHSA-N 1 2 360.421 2.667 20 30 FFEDLO CO[C@H](C[NH+]1CCN(c2snc(C)c2C#N)CC1)c1ccc(F)cc1 ZINC000528509525 516489383 /nfs/dbraw/zinc/48/93/83/516489383.db2.gz QASDNTBUWCQPKN-QGZVFWFLSA-N 1 2 360.458 2.972 20 30 FFEDLO N#CCCn1cc(C[NH+]2CCN(C(=O)C3CC3)CC2)c(-c2ccccc2)n1 ZINC000535784307 516507688 /nfs/dbraw/zinc/50/76/88/516507688.db2.gz AQZXMLPMPXXHIW-UHFFFAOYSA-N 1 2 363.465 2.518 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)O[C@H](CC)C2)cc1 ZINC000523609541 516520330 /nfs/dbraw/zinc/52/03/30/516520330.db2.gz XNSQOARPFAKSTN-SJLPKXTDSA-N 1 2 359.470 2.831 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)O[C@H](CC)C2)cc1 ZINC000523609541 516520339 /nfs/dbraw/zinc/52/03/39/516520339.db2.gz XNSQOARPFAKSTN-SJLPKXTDSA-N 1 2 359.470 2.831 20 30 FFEDLO COCCc1noc(CC2CC[NH+](Cc3cccc(F)c3C#N)CC2)n1 ZINC000528623037 516570527 /nfs/dbraw/zinc/57/05/27/516570527.db2.gz ZTKNCGWLLSBRLL-UHFFFAOYSA-N 1 2 358.417 2.724 20 30 FFEDLO C[NH+](C)[C@H](CNC(=O)NCC#Cc1ccccc1)c1c(F)cccc1F ZINC000523788365 516580396 /nfs/dbraw/zinc/58/03/96/516580396.db2.gz UVXJEUFHSSEUQI-GOSISDBHSA-N 1 2 357.404 2.918 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C/C=C/c1ccc(F)c(F)c1 ZINC000554858633 516668928 /nfs/dbraw/zinc/66/89/28/516668928.db2.gz RDOHHUOVIZHOPU-BAABZTOOSA-N 1 2 355.392 2.850 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C/C=C/c1ccc(F)c(F)c1 ZINC000554858633 516668937 /nfs/dbraw/zinc/66/89/37/516668937.db2.gz RDOHHUOVIZHOPU-BAABZTOOSA-N 1 2 355.392 2.850 20 30 FFEDLO N#Cc1ccc(C2([NH2+]Cc3nc(CC(F)(F)F)no3)CCOCC2)cc1 ZINC000528779208 516688660 /nfs/dbraw/zinc/68/86/60/516688660.db2.gz SGZYTRUQCQKHGH-UHFFFAOYSA-N 1 2 366.343 2.842 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000528782191 516690336 /nfs/dbraw/zinc/69/03/36/516690336.db2.gz ICTHKURKUYLKMN-LAPQFRIASA-N 1 2 353.285 2.806 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000528782191 516690347 /nfs/dbraw/zinc/69/03/47/516690347.db2.gz ICTHKURKUYLKMN-LAPQFRIASA-N 1 2 353.285 2.806 20 30 FFEDLO C=CCOc1cccc(C[NH+]2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1 ZINC000558416030 516730371 /nfs/dbraw/zinc/73/03/71/516730371.db2.gz IRXFXOARTLWEKZ-OAQYLSRUSA-N 1 2 365.477 2.596 20 30 FFEDLO N#Cc1cc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)ccc1F ZINC000548079581 516749620 /nfs/dbraw/zinc/74/96/20/516749620.db2.gz HRWUZKMIVHEPEW-LJQANCHMSA-N 1 2 353.397 2.501 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000548123094 516779382 /nfs/dbraw/zinc/77/93/82/516779382.db2.gz HIVLQWZJHAIJNN-KRWDZBQOSA-N 1 2 372.494 2.903 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H](Nc3cc(NCC4CC4)[nH+]cn3)C2=O)cc1 ZINC000540940197 516788175 /nfs/dbraw/zinc/78/81/75/516788175.db2.gz FHUPFJFGDROGQS-QGZVFWFLSA-N 1 2 362.437 2.778 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H](Nc3cc(NCC4CC4)nc[nH+]3)C2=O)cc1 ZINC000540940197 516788184 /nfs/dbraw/zinc/78/81/84/516788184.db2.gz FHUPFJFGDROGQS-QGZVFWFLSA-N 1 2 362.437 2.778 20 30 FFEDLO Cc1ccc(-c2noc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)n2)cc1F ZINC000544508509 516788812 /nfs/dbraw/zinc/78/88/12/516788812.db2.gz AOASCWQYDBAELL-CHWSQXEVSA-N 1 2 359.405 2.595 20 30 FFEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548282245 516871394 /nfs/dbraw/zinc/87/13/94/516871394.db2.gz PICFEUCSQOMWAT-HNNXBMFYSA-N 1 2 362.355 2.568 20 30 FFEDLO Cc1cc2[nH+]cn(C[C@H](O)COc3c(C#N)cccc3[N+](=O)[O-])c2cc1C ZINC000555582025 516991713 /nfs/dbraw/zinc/99/17/13/516991713.db2.gz YCZALVIUVHEMAY-HNNXBMFYSA-N 1 2 366.377 2.873 20 30 FFEDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000544930339 516992083 /nfs/dbraw/zinc/99/20/83/516992083.db2.gz MVJWPEKLSPQALW-UHFFFAOYSA-N 1 2 367.409 2.582 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000558903117 516995307 /nfs/dbraw/zinc/99/53/07/516995307.db2.gz XLDOTLAHAMTCQG-HXUWFJFHSA-N 1 2 350.422 2.513 20 30 FFEDLO Cc1cc(NC(=O)C(=O)NCC2(C#N)CC2)ccc1Oc1cc[nH+]cc1 ZINC000519517140 517020071 /nfs/dbraw/zinc/02/00/71/517020071.db2.gz LELJANYNDNFYEC-UHFFFAOYSA-N 1 2 350.378 2.541 20 30 FFEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)c1 ZINC000555650902 517044930 /nfs/dbraw/zinc/04/49/30/517044930.db2.gz WLPFQVBTQWJBBF-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)c1 ZINC000555650907 517045216 /nfs/dbraw/zinc/04/52/16/517045216.db2.gz WLPFQVBTQWJBBF-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000562391774 517075037 /nfs/dbraw/zinc/07/50/37/517075037.db2.gz RTSRCJTZXFCDHV-HUUCEWRRSA-N 1 2 350.825 2.827 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)NCC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000562391774 517075043 /nfs/dbraw/zinc/07/50/43/517075043.db2.gz RTSRCJTZXFCDHV-HUUCEWRRSA-N 1 2 350.825 2.827 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000514858851 517094439 /nfs/dbraw/zinc/09/44/39/517094439.db2.gz QEUBZKLMUUKYIN-GOSISDBHSA-N 1 2 366.446 2.501 20 30 FFEDLO C=C(C)[C@@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)c1ccc(F)c(F)c1 ZINC000562438901 517108446 /nfs/dbraw/zinc/10/84/46/517108446.db2.gz AYBPKCFTTYWQJK-QGZVFWFLSA-N 1 2 365.424 2.746 20 30 FFEDLO Cn1c2ccccc2cc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1=O ZINC000562442214 517110381 /nfs/dbraw/zinc/11/03/81/517110381.db2.gz NWHRJHBLIQMGSS-UHFFFAOYSA-N 1 2 372.472 2.728 20 30 FFEDLO CNC(=O)[C@H]1CCCc2sc(/C=C\c3c[nH+]c4ccc(C#N)cn34)nc21 ZINC000559190701 517115127 /nfs/dbraw/zinc/11/51/27/517115127.db2.gz XGLXWIOPNODZMZ-QPBFKRLHSA-N 1 2 363.446 2.999 20 30 FFEDLO N#CCN1CC[NH+](Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000529527847 517200830 /nfs/dbraw/zinc/20/08/30/517200830.db2.gz GWTKZXDHUZNJLJ-UHFFFAOYSA-N 1 2 366.288 2.542 20 30 FFEDLO CCOc1cc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c(F)cc1OC ZINC000529545717 517208451 /nfs/dbraw/zinc/20/84/51/517208451.db2.gz YNINQOIFPZKQMY-UHFFFAOYSA-N 1 2 370.428 2.822 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000532962997 517224028 /nfs/dbraw/zinc/22/40/28/517224028.db2.gz NLVDMXSNBDIIIJ-ZIEGZDFZSA-N 1 2 368.525 2.760 20 30 FFEDLO CC#CC[N@H+](C)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000559465286 517270092 /nfs/dbraw/zinc/27/00/92/517270092.db2.gz LPCDWRUFPXUFKV-FQEVSTJZSA-N 1 2 356.491 2.970 20 30 FFEDLO CC#CC[N@@H+](C)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000559465286 517270093 /nfs/dbraw/zinc/27/00/93/517270093.db2.gz LPCDWRUFPXUFKV-FQEVSTJZSA-N 1 2 356.491 2.970 20 30 FFEDLO CCOC[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000529667588 517271579 /nfs/dbraw/zinc/27/15/79/517271579.db2.gz ZMPUQYDVDPWEDF-IBGZPJMESA-N 1 2 354.454 2.701 20 30 FFEDLO CCOC[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000529667588 517271588 /nfs/dbraw/zinc/27/15/88/517271588.db2.gz ZMPUQYDVDPWEDF-IBGZPJMESA-N 1 2 354.454 2.701 20 30 FFEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1 ZINC000548974515 517335931 /nfs/dbraw/zinc/33/59/31/517335931.db2.gz RXVMEZZFIXYDTL-UHFFFAOYSA-N 1 2 365.437 2.630 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000556258579 517340166 /nfs/dbraw/zinc/34/01/66/517340166.db2.gz FUWUFYHISOJWHH-OAHLLOKOSA-N 1 2 360.889 2.803 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000556258579 517340169 /nfs/dbraw/zinc/34/01/69/517340169.db2.gz FUWUFYHISOJWHH-OAHLLOKOSA-N 1 2 360.889 2.803 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000515469112 517366496 /nfs/dbraw/zinc/36/64/96/517366496.db2.gz SGWKBUIJWCEITR-XDKFSHSGSA-N 1 2 365.424 2.600 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000515469112 517366501 /nfs/dbraw/zinc/36/65/01/517366501.db2.gz SGWKBUIJWCEITR-XDKFSHSGSA-N 1 2 365.424 2.600 20 30 FFEDLO CCc1ccccc1NC(=O)C[NH+]1CCN(c2cc(C)nc(C#N)c2)CC1 ZINC000552908358 517438597 /nfs/dbraw/zinc/43/85/97/517438597.db2.gz UUSIOFUONKELPS-UHFFFAOYSA-N 1 2 363.465 2.585 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000562832345 517440674 /nfs/dbraw/zinc/44/06/74/517440674.db2.gz VGSRTTGDGGYKMM-RGCFKVTRSA-N 1 2 359.470 2.761 20 30 FFEDLO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000562932911 517509363 /nfs/dbraw/zinc/50/93/63/517509363.db2.gz ZEGAXQYAGVISDQ-HNNXBMFYSA-N 1 2 360.421 2.886 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1Cc2c(cccc2OC)C1=O ZINC000530093831 517557972 /nfs/dbraw/zinc/55/79/72/517557972.db2.gz AKUNYZHHTIWTCE-UHFFFAOYSA-N 1 2 365.433 2.629 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1Cc2c(cccc2OC)C1=O ZINC000530093831 517557979 /nfs/dbraw/zinc/55/79/79/517557979.db2.gz AKUNYZHHTIWTCE-UHFFFAOYSA-N 1 2 365.433 2.629 20 30 FFEDLO N#CCCC1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000563034983 517602804 /nfs/dbraw/zinc/60/28/04/517602804.db2.gz KUWQLMLIYHECEI-HXUWFJFHSA-N 1 2 370.497 2.785 20 30 FFEDLO C=CC[C@@H](CO)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000553261436 517609065 /nfs/dbraw/zinc/60/90/65/517609065.db2.gz BQIWBJJCYYRLBF-CJNGLKHVSA-N 1 2 362.861 2.647 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)n1cnc(C#N)n1 ZINC000538640091 517700691 /nfs/dbraw/zinc/70/06/91/517700691.db2.gz AHRDNVVLQFLTTB-CYBMUJFWSA-N 1 2 361.409 2.549 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+]([C@H](C)c3nc4ccccc4o3)CC2)c1C#N ZINC000530361099 517729420 /nfs/dbraw/zinc/72/94/20/517729420.db2.gz SGAZNCXQKRYQKH-CQSZACIVSA-N 1 2 350.426 2.625 20 30 FFEDLO COc1cc(-n2cccc2)c(Cl)cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000563220547 517749074 /nfs/dbraw/zinc/74/90/74/517749074.db2.gz QRIUAIDFPLIPNG-SFHVURJKSA-N 1 2 360.845 2.713 20 30 FFEDLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000553515239 517757160 /nfs/dbraw/zinc/75/71/60/517757160.db2.gz KZCRXYNMFYLNSF-QGZVFWFLSA-N 1 2 373.478 2.826 20 30 FFEDLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000553515239 517757167 /nfs/dbraw/zinc/75/71/67/517757167.db2.gz KZCRXYNMFYLNSF-QGZVFWFLSA-N 1 2 373.478 2.826 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)o1 ZINC000553559414 517781269 /nfs/dbraw/zinc/78/12/69/517781269.db2.gz FLUWVZYWQLASKA-INIZCTEOSA-N 1 2 371.418 2.554 20 30 FFEDLO COc1cc(C#N)ccc1NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000546707178 517809813 /nfs/dbraw/zinc/80/98/13/517809813.db2.gz BHSGIBHMYZCFKT-UHFFFAOYSA-N 1 2 371.466 2.763 20 30 FFEDLO COc1cc(C#N)ccc1NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000546707178 517809819 /nfs/dbraw/zinc/80/98/19/517809819.db2.gz BHSGIBHMYZCFKT-UHFFFAOYSA-N 1 2 371.466 2.763 20 30 FFEDLO CN(C)c1ncc(Br)c(/C=C\c2c[nH+]c3ccc(C#N)cn23)n1 ZINC000550011487 517822385 /nfs/dbraw/zinc/82/23/85/517822385.db2.gz HVEOEHQKZPNMIF-PLNGDYQASA-N 1 2 369.226 2.995 20 30 FFEDLO N#CC1(CS(=O)(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCCC1 ZINC000546801885 517865807 /nfs/dbraw/zinc/86/58/07/517865807.db2.gz VYEDBTOTHSUVBV-UHFFFAOYSA-N 1 2 362.430 2.515 20 30 FFEDLO COC(=O)c1cccc(C[NH+]2CCC(Oc3ncccc3F)CC2)c1C#N ZINC000516846521 517866071 /nfs/dbraw/zinc/86/60/71/517866071.db2.gz IUPIQQZXUBQCDA-UHFFFAOYSA-N 1 2 369.396 2.922 20 30 FFEDLO CCCc1ccc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)cc1 ZINC000563441816 517907508 /nfs/dbraw/zinc/90/75/08/517907508.db2.gz YVPLDDXOIZFDRR-UHFFFAOYSA-N 1 2 351.450 2.553 20 30 FFEDLO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c2[nH+]ccn21 ZINC000517072240 518011862 /nfs/dbraw/zinc/01/18/62/518011862.db2.gz VDZWPDLEHCWLFC-ZANVPECISA-N 1 2 370.356 2.758 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OCc3ccccc3)nc2)C1=O ZINC000563633013 518037889 /nfs/dbraw/zinc/03/78/89/518037889.db2.gz XAGSUJPSUGULBW-IBGZPJMESA-N 1 2 351.450 2.879 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCc3ccccc3)nc2)C1=O ZINC000563633013 518037896 /nfs/dbraw/zinc/03/78/96/518037896.db2.gz XAGSUJPSUGULBW-IBGZPJMESA-N 1 2 351.450 2.879 20 30 FFEDLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NC[C@H](C)C#N)c2c1C ZINC000531121095 518143608 /nfs/dbraw/zinc/14/36/08/518143608.db2.gz QAFLAOACCNNWLD-SNVBAGLBSA-N 1 2 361.471 2.810 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000535266607 518171503 /nfs/dbraw/zinc/17/15/03/518171503.db2.gz XYRWMBSDKYWSBT-KRWDZBQOSA-N 1 2 361.854 2.677 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000535266607 518171505 /nfs/dbraw/zinc/17/15/05/518171505.db2.gz XYRWMBSDKYWSBT-KRWDZBQOSA-N 1 2 361.854 2.677 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000584251240 518246473 /nfs/dbraw/zinc/24/64/73/518246473.db2.gz FJRWJZVGQBYZLB-UHFFFAOYSA-N 1 2 366.446 2.590 20 30 FFEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000566915191 518263132 /nfs/dbraw/zinc/26/31/32/518263132.db2.gz DFJZANDWBMINIG-YMXBGEKHSA-N 1 2 353.451 2.531 20 30 FFEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000566915191 518263138 /nfs/dbraw/zinc/26/31/38/518263138.db2.gz DFJZANDWBMINIG-YMXBGEKHSA-N 1 2 353.451 2.531 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000572595581 518266418 /nfs/dbraw/zinc/26/64/18/518266418.db2.gz OJEJBKWLEFNAKL-AFMDSPMNSA-N 1 2 371.506 2.613 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000572595581 518266429 /nfs/dbraw/zinc/26/64/29/518266429.db2.gz OJEJBKWLEFNAKL-AFMDSPMNSA-N 1 2 371.506 2.613 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000581465218 518296327 /nfs/dbraw/zinc/29/63/27/518296327.db2.gz RWLFHGFAGUXEBN-UHFFFAOYSA-N 1 2 370.840 2.700 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@H]2c2ccccc2)nc1 ZINC000584373786 518308276 /nfs/dbraw/zinc/30/82/76/518308276.db2.gz CTENWIGNYTUALL-SFHVURJKSA-N 1 2 355.463 2.954 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCC[C@H]2c2ccccc2)nc1 ZINC000584373786 518308283 /nfs/dbraw/zinc/30/82/83/518308283.db2.gz CTENWIGNYTUALL-SFHVURJKSA-N 1 2 355.463 2.954 20 30 FFEDLO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000572769313 518352848 /nfs/dbraw/zinc/35/28/48/518352848.db2.gz WMHHROKVKRPNRV-MEDUHNTESA-N 1 2 370.266 2.727 20 30 FFEDLO COc1cc(CNC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)ccc1C#N ZINC000564513630 518480658 /nfs/dbraw/zinc/48/06/58/518480658.db2.gz MRZQMLKMYVROQH-UHFFFAOYSA-N 1 2 370.359 2.820 20 30 FFEDLO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000570234149 518508061 /nfs/dbraw/zinc/50/80/61/518508061.db2.gz LAZBJZAQGPTYQC-KRWDZBQOSA-N 1 2 370.409 2.831 20 30 FFEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2cccc(C(F)F)c2)c1=O ZINC000570463895 518620171 /nfs/dbraw/zinc/62/01/71/518620171.db2.gz HPRQEBMJCJJFOG-UHFFFAOYSA-N 1 2 359.376 2.538 20 30 FFEDLO C=C[C@@H](CC(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1)c1ccccc1 ZINC000573471727 518681127 /nfs/dbraw/zinc/68/11/27/518681127.db2.gz IZUDXPCFQNYKFK-WMZOPIPTSA-N 1 2 353.466 2.517 20 30 FFEDLO Cc1nc(COc2cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2)cs1 ZINC000576644112 518691673 /nfs/dbraw/zinc/69/16/73/518691673.db2.gz WKOIPOIPWRWTAK-SFHVURJKSA-N 1 2 358.467 2.604 20 30 FFEDLO N#CCc1cccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c1 ZINC000588844671 518847789 /nfs/dbraw/zinc/84/77/89/518847789.db2.gz YHXFABVCHDSFLZ-UHFFFAOYSA-N 1 2 354.479 2.987 20 30 FFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000579811287 518864485 /nfs/dbraw/zinc/86/44/85/518864485.db2.gz LVVJPRPXBFSWMS-PMACEKPBSA-N 1 2 353.466 2.695 20 30 FFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000579811287 518864494 /nfs/dbraw/zinc/86/44/94/518864494.db2.gz LVVJPRPXBFSWMS-PMACEKPBSA-N 1 2 353.466 2.695 20 30 FFEDLO Cc1cccn2cc(CC(=O)N(C)CCOCc3ccc(C#N)cc3)[nH+]c12 ZINC000589113696 518919194 /nfs/dbraw/zinc/91/91/94/518919194.db2.gz RLJJZRFMKWLFMB-UHFFFAOYSA-N 1 2 362.433 2.732 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(O)cc(C#N)c1)c1ccccc1F ZINC000589166618 518936192 /nfs/dbraw/zinc/93/61/92/518936192.db2.gz WCLHNRSFGBBZQK-KRWDZBQOSA-N 1 2 350.353 2.656 20 30 FFEDLO COC(=O)c1cccc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)c1C#N ZINC000574065124 518971871 /nfs/dbraw/zinc/97/18/71/518971871.db2.gz SZOOCQTVZGNWHJ-LJQANCHMSA-N 1 2 365.433 2.654 20 30 FFEDLO Cc1cnn([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)c1 ZINC000589309585 518978354 /nfs/dbraw/zinc/97/83/54/518978354.db2.gz VTSHTVGSHCQLKG-ZIAGYGMSSA-N 1 2 369.494 2.887 20 30 FFEDLO Cc1cnn([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)c1 ZINC000589309585 518978359 /nfs/dbraw/zinc/97/83/59/518978359.db2.gz VTSHTVGSHCQLKG-ZIAGYGMSSA-N 1 2 369.494 2.887 20 30 FFEDLO CC1(C)C[N@@H+]([C@H](CNc2cc(C#N)ncn2)c2ccc(Cl)cc2)CCO1 ZINC000574260091 519068189 /nfs/dbraw/zinc/06/81/89/519068189.db2.gz GNQWQXJGSJAGMU-QGZVFWFLSA-N 1 2 371.872 2.688 20 30 FFEDLO CC1(C)C[N@H+]([C@H](CNc2cc(C#N)ncn2)c2ccc(Cl)cc2)CCO1 ZINC000574260091 519068196 /nfs/dbraw/zinc/06/81/96/519068196.db2.gz GNQWQXJGSJAGMU-QGZVFWFLSA-N 1 2 371.872 2.688 20 30 FFEDLO C=CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000571450816 519102586 /nfs/dbraw/zinc/10/25/86/519102586.db2.gz XEYUUSQWVVUYJS-CVEARBPZSA-N 1 2 365.441 2.586 20 30 FFEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000577571580 519143137 /nfs/dbraw/zinc/14/31/37/519143137.db2.gz NXABMCOIIZCPCY-OCCSQVGLSA-N 1 2 350.344 2.844 20 30 FFEDLO Cc1noc([C@@H](C)[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000565841774 519158017 /nfs/dbraw/zinc/15/80/17/519158017.db2.gz KUMDIAUNRDOCPJ-SNVBAGLBSA-N 1 2 359.455 2.822 20 30 FFEDLO Cc1noc([C@@H](C)[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000565841774 519158024 /nfs/dbraw/zinc/15/80/24/519158024.db2.gz KUMDIAUNRDOCPJ-SNVBAGLBSA-N 1 2 359.455 2.822 20 30 FFEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ncc(C#N)cc2C)CC1 ZINC000590130520 519158418 /nfs/dbraw/zinc/15/84/18/519158418.db2.gz FAQWWPYRESMUNW-UHFFFAOYSA-N 1 2 364.449 2.537 20 30 FFEDLO Cc1noc([C@H](C)[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000565841773 519158615 /nfs/dbraw/zinc/15/86/15/519158615.db2.gz KUMDIAUNRDOCPJ-JTQLQIEISA-N 1 2 359.455 2.822 20 30 FFEDLO Cc1noc([C@H](C)[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000565841773 519158621 /nfs/dbraw/zinc/15/86/21/519158621.db2.gz KUMDIAUNRDOCPJ-JTQLQIEISA-N 1 2 359.455 2.822 20 30 FFEDLO CCc1cnc(N2CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)s1 ZINC000565895742 519187277 /nfs/dbraw/zinc/18/72/77/519187277.db2.gz VUVNSLDNRGZIMD-UHFFFAOYSA-N 1 2 357.439 2.808 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000583355953 519203124 /nfs/dbraw/zinc/20/31/24/519203124.db2.gz QQIKLISQRKTXLX-SJKOYZFVSA-N 1 2 369.387 2.911 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000574598426 519234615 /nfs/dbraw/zinc/23/46/15/519234615.db2.gz GUPIWDNPLFWXNP-BLLLJJGKSA-N 1 2 361.511 2.918 20 30 FFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000574598426 519234623 /nfs/dbraw/zinc/23/46/23/519234623.db2.gz GUPIWDNPLFWXNP-BLLLJJGKSA-N 1 2 361.511 2.918 20 30 FFEDLO C[N@@H+]1CCO[C@@H](CSc2nc3c(c(C#N)c2C#N)CCCCCC3)C1 ZINC000566006479 519244219 /nfs/dbraw/zinc/24/42/19/519244219.db2.gz FISZYHSZOJPSDP-CQSZACIVSA-N 1 2 356.495 2.907 20 30 FFEDLO C[N@H+]1CCO[C@@H](CSc2nc3c(c(C#N)c2C#N)CCCCCC3)C1 ZINC000566006479 519244221 /nfs/dbraw/zinc/24/42/21/519244221.db2.gz FISZYHSZOJPSDP-CQSZACIVSA-N 1 2 356.495 2.907 20 30 FFEDLO N#Cc1c(F)cccc1C[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000590594178 519280183 /nfs/dbraw/zinc/28/01/83/519280183.db2.gz CIVKGMGHQAEKMA-UHFFFAOYSA-N 1 2 359.426 2.527 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)cc1 ZINC000571885215 519328126 /nfs/dbraw/zinc/32/81/26/519328126.db2.gz FRJFJFGYSCSFLC-UHFFFAOYSA-N 1 2 361.405 2.656 20 30 FFEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cnc2c(C#N)cnn2c1 ZINC000578013963 519372034 /nfs/dbraw/zinc/37/20/34/519372034.db2.gz RGBRGYJOKRPSHT-UHFFFAOYSA-N 1 2 362.437 2.760 20 30 FFEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cnc2c(C#N)cnn2c1 ZINC000578013963 519372041 /nfs/dbraw/zinc/37/20/41/519372041.db2.gz RGBRGYJOKRPSHT-UHFFFAOYSA-N 1 2 362.437 2.760 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H]2CN(C(=O)C3(CC=C)CCC3)CC[N@H+]2C)CCC1 ZINC000584058931 519570554 /nfs/dbraw/zinc/57/05/54/519570554.db2.gz UJDFENQBXJJFPO-GOSISDBHSA-N 1 2 373.541 2.738 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H]2CN(C(=O)C3(CC=C)CCC3)CC[N@@H+]2C)CCC1 ZINC000584058931 519570562 /nfs/dbraw/zinc/57/05/62/519570562.db2.gz UJDFENQBXJJFPO-GOSISDBHSA-N 1 2 373.541 2.738 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3ccccc3)C2)nc1 ZINC000581288155 519614518 /nfs/dbraw/zinc/61/45/18/519614518.db2.gz VXHBTJNBXQGYQZ-GOSISDBHSA-N 1 2 355.463 2.607 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3ccccc3)C2)nc1 ZINC000581288155 519614525 /nfs/dbraw/zinc/61/45/25/519614525.db2.gz VXHBTJNBXQGYQZ-GOSISDBHSA-N 1 2 355.463 2.607 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857748 519928655 /nfs/dbraw/zinc/92/86/55/519928655.db2.gz UPTIXSNMOQCCMV-HZSPNIEDSA-N 1 2 366.412 2.533 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857748 519928658 /nfs/dbraw/zinc/92/86/58/519928658.db2.gz UPTIXSNMOQCCMV-HZSPNIEDSA-N 1 2 366.412 2.533 20 30 FFEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602863089 519936591 /nfs/dbraw/zinc/93/65/91/519936591.db2.gz OLYKOUJBQJKQJG-MCIONIFRSA-N 1 2 364.877 2.594 20 30 FFEDLO C[C@H]1C[NH+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H](C)N1CC#N ZINC000602867252 519938271 /nfs/dbraw/zinc/93/82/71/519938271.db2.gz XRTMXWJEIQZOEK-RYUDHWBXSA-N 1 2 355.269 2.850 20 30 FFEDLO N#CC1(C[C@H](O)C[NH+]2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)CC1 ZINC000602877712 519943232 /nfs/dbraw/zinc/94/32/32/519943232.db2.gz KTHGUWVAIZQZHI-KRWDZBQOSA-N 1 2 351.454 2.706 20 30 FFEDLO N#Cc1ccc(C2CC[NH+](CCS(=O)(=O)c3ccccc3)CC2)nc1 ZINC000602910465 519966223 /nfs/dbraw/zinc/96/62/23/519966223.db2.gz SAGWXTQSIODXTJ-UHFFFAOYSA-N 1 2 355.463 2.607 20 30 FFEDLO N#Cc1ccc(C2CC[NH+](CC(=O)Nc3ccc(Cl)cn3)CC2)nc1 ZINC000602909775 519967335 /nfs/dbraw/zinc/96/73/35/519967335.db2.gz OGVWEEHULCIPDS-UHFFFAOYSA-N 1 2 355.829 2.820 20 30 FFEDLO N#CC1(CC(=O)NCc2[nH+]ccn2CCCc2ccccc2)CCOCC1 ZINC000597363540 519979584 /nfs/dbraw/zinc/97/95/84/519979584.db2.gz XWSTZOINQCJLAH-UHFFFAOYSA-N 1 2 366.465 2.843 20 30 FFEDLO CC(C)(C)O[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000594567227 520031405 /nfs/dbraw/zinc/03/14/05/520031405.db2.gz SLDXUPKWNNHHSK-WGSAOQKQSA-N 1 2 370.497 2.732 20 30 FFEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000591851890 520062198 /nfs/dbraw/zinc/06/21/98/520062198.db2.gz BFSDMRNFNFXWBV-CALCHBBNSA-N 1 2 358.344 2.869 20 30 FFEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000591851890 520062206 /nfs/dbraw/zinc/06/22/06/520062206.db2.gz BFSDMRNFNFXWBV-CALCHBBNSA-N 1 2 358.344 2.869 20 30 FFEDLO CCCOc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@@H](CC#N)C3)C2=O)cc1 ZINC000594661138 520073137 /nfs/dbraw/zinc/07/31/37/520073137.db2.gz VVXBZFUYAFCYKW-MAUKXSAKSA-N 1 2 355.438 2.733 20 30 FFEDLO CCCOc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@@H](CC#N)C3)C2=O)cc1 ZINC000594661138 520073148 /nfs/dbraw/zinc/07/31/48/520073148.db2.gz VVXBZFUYAFCYKW-MAUKXSAKSA-N 1 2 355.438 2.733 20 30 FFEDLO Cc1cn2cc(NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)ccc2[nH+]1 ZINC000608925176 520162768 /nfs/dbraw/zinc/16/27/68/520162768.db2.gz AVUURFXSEUUMBA-UHFFFAOYSA-N 1 2 357.377 2.535 20 30 FFEDLO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(Cc2ccncc2C#N)CC1 ZINC000592073249 520167929 /nfs/dbraw/zinc/16/79/29/520167929.db2.gz KRFJCPNHKLIPGQ-INIZCTEOSA-N 1 2 374.448 2.882 20 30 FFEDLO N#CC1(CC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CCOCC1 ZINC000597701918 520187382 /nfs/dbraw/zinc/18/73/82/520187382.db2.gz XHCCVMODEBIQAA-UHFFFAOYSA-N 1 2 358.829 2.852 20 30 FFEDLO C[C@@H](NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)c1ccc(C#N)cc1 ZINC000603271169 520191362 /nfs/dbraw/zinc/19/13/62/520191362.db2.gz MPZOLAYWDSSHET-CQSZACIVSA-N 1 2 355.463 2.586 20 30 FFEDLO C[C@@H](NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)c1ccc(C#N)cc1 ZINC000603271169 520191368 /nfs/dbraw/zinc/19/13/68/520191368.db2.gz MPZOLAYWDSSHET-CQSZACIVSA-N 1 2 355.463 2.586 20 30 FFEDLO COCc1cc(C#N)ccc1NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000603284503 520195781 /nfs/dbraw/zinc/19/57/81/520195781.db2.gz ROLYRARPSUXOKB-HNNXBMFYSA-N 1 2 352.438 2.937 20 30 FFEDLO N#Cc1ccccc1OCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000592141952 520218903 /nfs/dbraw/zinc/21/89/03/520218903.db2.gz ZDDGIPFMFCFJOR-FQEVSTJZSA-N 1 2 361.445 2.643 20 30 FFEDLO N#Cc1ccccc1OCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000592141952 520218909 /nfs/dbraw/zinc/21/89/09/520218909.db2.gz ZDDGIPFMFCFJOR-FQEVSTJZSA-N 1 2 361.445 2.643 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000592146356 520224682 /nfs/dbraw/zinc/22/46/82/520224682.db2.gz BXWQNVNYDMMHLI-OAQYLSRUSA-N 1 2 373.472 2.837 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000592146356 520224690 /nfs/dbraw/zinc/22/46/90/520224690.db2.gz BXWQNVNYDMMHLI-OAQYLSRUSA-N 1 2 373.472 2.837 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000592149499 520225619 /nfs/dbraw/zinc/22/56/19/520225619.db2.gz QCZASZJBATUYRT-NHCUHLMSSA-N 1 2 355.482 2.775 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000592149499 520225628 /nfs/dbraw/zinc/22/56/28/520225628.db2.gz QCZASZJBATUYRT-NHCUHLMSSA-N 1 2 355.482 2.775 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000592149451 520226648 /nfs/dbraw/zinc/22/66/48/520226648.db2.gz PJEAHUFIFRJJDT-HXUWFJFHSA-N 1 2 351.406 2.768 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000592149451 520226661 /nfs/dbraw/zinc/22/66/61/520226661.db2.gz PJEAHUFIFRJJDT-HXUWFJFHSA-N 1 2 351.406 2.768 20 30 FFEDLO CCc1nc(C#N)cc(N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)n1 ZINC000603420697 520258513 /nfs/dbraw/zinc/25/85/13/520258513.db2.gz WNDGXPMYNMXGQN-UHFFFAOYSA-N 1 2 362.359 2.651 20 30 FFEDLO N#Cc1ccc(SCC(=O)NCc2ccc[nH+]c2N2CCCC2)cc1 ZINC000597940282 520339573 /nfs/dbraw/zinc/33/95/73/520339573.db2.gz HIYCSTJMRPYQMN-UHFFFAOYSA-N 1 2 352.463 2.962 20 30 FFEDLO CC(C)(NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000597949221 520346301 /nfs/dbraw/zinc/34/63/01/520346301.db2.gz GGQOUFIPSQCXJZ-HXUWFJFHSA-N 1 2 363.461 2.811 20 30 FFEDLO CC(C)(NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc(C#N)c1 ZINC000597949221 520346309 /nfs/dbraw/zinc/34/63/09/520346309.db2.gz GGQOUFIPSQCXJZ-HXUWFJFHSA-N 1 2 363.461 2.811 20 30 FFEDLO CCCC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000603878529 520389022 /nfs/dbraw/zinc/38/90/22/520389022.db2.gz VFIQKMQADYZTOK-UHFFFAOYSA-N 1 2 374.510 2.621 20 30 FFEDLO CCOc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000613219585 520394640 /nfs/dbraw/zinc/39/46/40/520394640.db2.gz CXJKQDUYMIKWRK-UHFFFAOYSA-N 1 2 365.437 2.702 20 30 FFEDLO C[NH+](C)[C@@H](CNC(=O)CNc1ccc(C#N)cc1)c1c(F)cccc1F ZINC000609664366 520398888 /nfs/dbraw/zinc/39/88/88/520398888.db2.gz UUSBAFZPQLIZTI-KRWDZBQOSA-N 1 2 358.392 2.667 20 30 FFEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN([C@H](C#N)c3ccccc3)CC2)n1 ZINC000595336679 520415200 /nfs/dbraw/zinc/41/52/00/520415200.db2.gz PZDKKSYPAHPWEW-DOTOQJQBSA-N 1 2 355.442 2.550 20 30 FFEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN([C@H](C#N)c3ccccc3)CC2)n1 ZINC000595336679 520415207 /nfs/dbraw/zinc/41/52/07/520415207.db2.gz PZDKKSYPAHPWEW-DOTOQJQBSA-N 1 2 355.442 2.550 20 30 FFEDLO C[C@](C#N)(NC(=O)C[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1CC1 ZINC000604276187 520503634 /nfs/dbraw/zinc/50/36/34/520503634.db2.gz GWXJDWJUMCJFKC-NQBHXWOUSA-N 1 2 371.325 2.858 20 30 FFEDLO C[NH+](C)[C@H](CNC(=O)NCCc1ccc(C#N)cc1)c1c(F)cccc1F ZINC000595549746 520545576 /nfs/dbraw/zinc/54/55/76/520545576.db2.gz LYAYTVARCDWAHN-GOSISDBHSA-N 1 2 372.419 2.981 20 30 FFEDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cn([C@H]3CC[C@H](C#N)C3)nn2)CC1 ZINC000600973059 520566180 /nfs/dbraw/zinc/56/61/80/520566180.db2.gz JAUNRBQLUMHGDX-YOEHRIQHSA-N 1 2 359.474 2.697 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595614231 520594521 /nfs/dbraw/zinc/59/45/21/520594521.db2.gz JRXDZUGSQIIFPJ-CRAIPNDOSA-N 1 2 371.481 2.688 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595614231 520594528 /nfs/dbraw/zinc/59/45/28/520594528.db2.gz JRXDZUGSQIIFPJ-CRAIPNDOSA-N 1 2 371.481 2.688 20 30 FFEDLO Cc1nn(C)c(=O)c(-c2nc(C[N@@H+]3CCC[C@@H](CC#N)C3)cs2)c1C ZINC000595620756 520600114 /nfs/dbraw/zinc/60/01/14/520600114.db2.gz PXQGVZZQPJGLDU-AWEZNQCLSA-N 1 2 357.483 2.646 20 30 FFEDLO Cc1nn(C)c(=O)c(-c2nc(C[N@H+]3CCC[C@@H](CC#N)C3)cs2)c1C ZINC000595620756 520600117 /nfs/dbraw/zinc/60/01/17/520600117.db2.gz PXQGVZZQPJGLDU-AWEZNQCLSA-N 1 2 357.483 2.646 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595629955 520605800 /nfs/dbraw/zinc/60/58/00/520605800.db2.gz BCDVZASBIPXNGL-CVEARBPZSA-N 1 2 360.527 2.779 20 30 FFEDLO CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632798 520609514 /nfs/dbraw/zinc/60/95/14/520609514.db2.gz IACDRLPOCARNBE-UHFFFAOYSA-N 1 2 372.469 2.539 20 30 FFEDLO C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595634025 520611254 /nfs/dbraw/zinc/61/12/54/520611254.db2.gz UAYNQQOTCDGMNF-MRXNPFEDSA-N 1 2 368.506 2.961 20 30 FFEDLO N#CCn1c(C(=O)NCCNc2ccc3ccccc3[nH+]2)cc2ccccc21 ZINC000610340344 520642546 /nfs/dbraw/zinc/64/25/46/520642546.db2.gz YRMCWDMSAZGUMD-UHFFFAOYSA-N 1 2 369.428 2.977 20 30 FFEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cccc(Cl)c3C#N)CC2)C1 ZINC000610339626 520642604 /nfs/dbraw/zinc/64/26/04/520642604.db2.gz HBKVMGONKRCROQ-IYBDPMFKSA-N 1 2 374.916 2.838 20 30 FFEDLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C2 ZINC000592999256 520675611 /nfs/dbraw/zinc/67/56/11/520675611.db2.gz OTKVJYZYCDUBEK-UHFFFAOYSA-N 1 2 350.378 2.983 20 30 FFEDLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C2 ZINC000592999256 520675619 /nfs/dbraw/zinc/67/56/19/520675619.db2.gz OTKVJYZYCDUBEK-UHFFFAOYSA-N 1 2 350.378 2.983 20 30 FFEDLO COC(=O)[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1cccc(C#N)c1 ZINC000595767301 520709982 /nfs/dbraw/zinc/70/99/82/520709982.db2.gz BHFRVDUYDQVHJR-QXAKKESOSA-N 1 2 352.438 2.507 20 30 FFEDLO Cc1cccc(COCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000598586492 520728973 /nfs/dbraw/zinc/72/89/73/520728973.db2.gz HCBIOZUQYUZVBL-UHFFFAOYSA-N 1 2 363.461 2.728 20 30 FFEDLO Cc1cccn2cc(CCNS(=O)(=O)c3cc(C#N)ccc3Cl)[nH+]c12 ZINC000613931304 520732200 /nfs/dbraw/zinc/73/22/00/520732200.db2.gz PFOGDFIWVYTRCV-UHFFFAOYSA-N 1 2 374.853 2.689 20 30 FFEDLO CC[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1nnc2n1CCCCC2 ZINC000595801683 520734910 /nfs/dbraw/zinc/73/49/10/520734910.db2.gz DBLZWBYHIKOYHE-INIZCTEOSA-N 1 2 372.517 2.730 20 30 FFEDLO COC(=O)[C@@H]1CC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C[C@@H]1C ZINC000595822777 520747147 /nfs/dbraw/zinc/74/71/47/520747147.db2.gz SUWLIEQHAAKAAY-WMLDXEAASA-N 1 2 352.438 2.683 20 30 FFEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C[C@@H]1C ZINC000595822777 520747153 /nfs/dbraw/zinc/74/71/53/520747153.db2.gz SUWLIEQHAAKAAY-WMLDXEAASA-N 1 2 352.438 2.683 20 30 FFEDLO C[C@H]([NH2+][C@@H](CO)c1cccc(Cl)c1Cl)C(=O)NC1(C#N)CCC1 ZINC000595828051 520750676 /nfs/dbraw/zinc/75/06/76/520750676.db2.gz HSLBKLJWXHVOTL-GWCFXTLKSA-N 1 2 356.253 2.567 20 30 FFEDLO C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CCc2ccc(F)cc21 ZINC000593114896 520756346 /nfs/dbraw/zinc/75/63/46/520756346.db2.gz FCOJLDBMDHHLGA-AWEZNQCLSA-N 1 2 373.453 2.528 20 30 FFEDLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CCc2ccc(F)cc21 ZINC000593114896 520756352 /nfs/dbraw/zinc/75/63/52/520756352.db2.gz FCOJLDBMDHHLGA-AWEZNQCLSA-N 1 2 373.453 2.528 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000593155726 520785923 /nfs/dbraw/zinc/78/59/23/520785923.db2.gz XEVZZDPRHYRMND-LJQANCHMSA-N 1 2 367.409 2.912 20 30 FFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2[nH]c[nH+]c2C12CCOCC2 ZINC000601654032 520886822 /nfs/dbraw/zinc/88/68/22/520886822.db2.gz MBTNATABYUEJKD-HNNXBMFYSA-N 1 2 364.449 2.551 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000614356814 520924468 /nfs/dbraw/zinc/92/44/68/520924468.db2.gz PUOBUIVHUZKCMM-UHFFFAOYSA-N 1 2 363.546 2.916 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)ccn1 ZINC000610991570 520933984 /nfs/dbraw/zinc/93/39/84/520933984.db2.gz NGIQBZFUASCXQQ-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)ccn1 ZINC000610991570 520933992 /nfs/dbraw/zinc/93/39/92/520933992.db2.gz NGIQBZFUASCXQQ-UHFFFAOYSA-N 1 2 354.841 2.955 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)ccn1 ZINC000610994393 520936730 /nfs/dbraw/zinc/93/67/30/520936730.db2.gz BTKRXIHOCBDQOL-IBGZPJMESA-N 1 2 362.433 2.881 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)ccn1 ZINC000610994393 520936741 /nfs/dbraw/zinc/93/67/41/520936741.db2.gz BTKRXIHOCBDQOL-IBGZPJMESA-N 1 2 362.433 2.881 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccccc1Br ZINC000611012894 520946171 /nfs/dbraw/zinc/94/61/71/520946171.db2.gz FAQWTCMHDZCBFJ-XHDPSFHLSA-N 1 2 359.227 2.589 20 30 FFEDLO Cc1cc(NCCNC(=O)N[C@H](C)c2ccc(C#N)cc2)nc(C(C)C)[nH+]1 ZINC000598979390 520957832 /nfs/dbraw/zinc/95/78/32/520957832.db2.gz YOQQJPODIGEWRD-OAHLLOKOSA-N 1 2 366.469 2.674 20 30 FFEDLO CCOc1ccc(C[NH+]2CCN(C(=O)NCC3(C#N)CCCC3)CC2)cc1 ZINC000593425499 520986721 /nfs/dbraw/zinc/98/67/21/520986721.db2.gz JHXIBQLKLFLDTJ-UHFFFAOYSA-N 1 2 370.497 2.996 20 30 FFEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCCc2ccccc2Cl)c1=O ZINC000596284844 521008272 /nfs/dbraw/zinc/00/82/72/521008272.db2.gz FWSAWVXYYXYRIS-UHFFFAOYSA-N 1 2 371.868 2.838 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N(CCC#N)Cc2ccco2)cc1 ZINC000602086753 521134370 /nfs/dbraw/zinc/13/43/70/521134370.db2.gz RLJFAKZDCHRJGD-IBGZPJMESA-N 1 2 353.422 2.805 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N(CCC#N)Cc2ccco2)cc1 ZINC000602086753 521134379 /nfs/dbraw/zinc/13/43/79/521134379.db2.gz RLJFAKZDCHRJGD-IBGZPJMESA-N 1 2 353.422 2.805 20 30 FFEDLO Cn1cnc2cc(C[NH+]3CCN(c4oc(C5CC5)nc4C#N)CC3)ccc21 ZINC000611410848 521142158 /nfs/dbraw/zinc/14/21/58/521142158.db2.gz WAUDREGBWAEAJZ-UHFFFAOYSA-N 1 2 362.437 2.633 20 30 FFEDLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)C2 ZINC000596598472 521156095 /nfs/dbraw/zinc/15/60/95/521156095.db2.gz HJOPHXDBRQAGNU-UHFFFAOYSA-N 1 2 362.437 2.926 20 30 FFEDLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)C2 ZINC000596598472 521156106 /nfs/dbraw/zinc/15/61/06/521156106.db2.gz HJOPHXDBRQAGNU-UHFFFAOYSA-N 1 2 362.437 2.926 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCc2ccc(C#N)c(F)c2)cc1 ZINC000602158607 521178601 /nfs/dbraw/zinc/17/86/01/521178601.db2.gz OOZGQKZZFOORAR-IBGZPJMESA-N 1 2 353.397 2.597 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCc2ccc(C#N)c(F)c2)cc1 ZINC000602158607 521178612 /nfs/dbraw/zinc/17/86/12/521178612.db2.gz OOZGQKZZFOORAR-IBGZPJMESA-N 1 2 353.397 2.597 20 30 FFEDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000611555223 521216835 /nfs/dbraw/zinc/21/68/35/521216835.db2.gz SFDYXOXUIDBJRP-GXTWGEPZSA-N 1 2 360.401 2.995 20 30 FFEDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000611555223 521216838 /nfs/dbraw/zinc/21/68/38/521216838.db2.gz SFDYXOXUIDBJRP-GXTWGEPZSA-N 1 2 360.401 2.995 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000596699994 521231774 /nfs/dbraw/zinc/23/17/74/521231774.db2.gz VZSGWGIZADNAPM-LSDHHAIUSA-N 1 2 360.458 2.576 20 30 FFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000596699994 521231780 /nfs/dbraw/zinc/23/17/80/521231780.db2.gz VZSGWGIZADNAPM-LSDHHAIUSA-N 1 2 360.458 2.576 20 30 FFEDLO C=CCCn1cc(C[S@@](=O)Cc2[nH+]ccn2Cc2ccccc2)nn1 ZINC000593935645 521300292 /nfs/dbraw/zinc/30/02/92/521300292.db2.gz GBTZHSRPFNVYLO-RUZDIDTESA-N 1 2 355.467 2.548 20 30 FFEDLO Cc1cc(F)ccc1N(CC#N)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000602386032 521312630 /nfs/dbraw/zinc/31/26/30/521312630.db2.gz GUQGEHOHMFGUAJ-HXUWFJFHSA-N 1 2 367.424 2.892 20 30 FFEDLO Cc1cc(F)ccc1N(CC#N)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000602386032 521312634 /nfs/dbraw/zinc/31/26/34/521312634.db2.gz GUQGEHOHMFGUAJ-HXUWFJFHSA-N 1 2 367.424 2.892 20 30 FFEDLO N#Cc1c(F)cc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)cc1F ZINC000596863196 521339059 /nfs/dbraw/zinc/33/90/59/521339059.db2.gz JQHHUTRVOMLCMG-UHFFFAOYSA-N 1 2 357.360 2.921 20 30 FFEDLO CCOC(=O)c1nc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cs1 ZINC000599631311 521342720 /nfs/dbraw/zinc/34/27/20/521342720.db2.gz RKSGUZNQGYQYPQ-UHFFFAOYSA-N 1 2 371.462 2.987 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000599636024 521347078 /nfs/dbraw/zinc/34/70/78/521347078.db2.gz LIHOEINIJZSJOJ-UHFFFAOYSA-N 1 2 364.371 2.719 20 30 FFEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000599636024 521347084 /nfs/dbraw/zinc/34/70/84/521347084.db2.gz LIHOEINIJZSJOJ-UHFFFAOYSA-N 1 2 364.371 2.719 20 30 FFEDLO Cc1cn2c([nH+]1)CN(C(=O)c1ccc(Oc3ccc(C#N)cn3)cc1)CC2 ZINC000611892937 521384112 /nfs/dbraw/zinc/38/41/12/521384112.db2.gz FIPNMKYJRNMYBN-UHFFFAOYSA-N 1 2 359.389 2.907 20 30 FFEDLO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678715 521393841 /nfs/dbraw/zinc/39/38/41/521393841.db2.gz LJWRUJOKDAHCMC-UHFFFAOYSA-N 1 2 353.388 2.910 20 30 FFEDLO CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678715 521393850 /nfs/dbraw/zinc/39/38/50/521393850.db2.gz LJWRUJOKDAHCMC-UHFFFAOYSA-N 1 2 353.388 2.910 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)on1 ZINC000602653616 521460850 /nfs/dbraw/zinc/46/08/50/521460850.db2.gz HUJFEKNYEMXKII-UHFFFAOYSA-N 1 2 359.357 2.515 20 30 FFEDLO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612165374 521515091 /nfs/dbraw/zinc/51/50/91/521515091.db2.gz KTYYUIPKZSSWGR-PIAQBNITSA-N 1 2 372.513 2.795 20 30 FFEDLO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612165374 521515100 /nfs/dbraw/zinc/51/51/00/521515100.db2.gz KTYYUIPKZSSWGR-PIAQBNITSA-N 1 2 372.513 2.795 20 30 FFEDLO CCCn1nccc1NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000602773411 521525150 /nfs/dbraw/zinc/52/51/50/521525150.db2.gz RKWLXEYHTRZCLA-UHFFFAOYSA-N 1 2 367.453 2.647 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(Nc3cccc(C(=O)OC)c3)CC2)nn1 ZINC000597128450 521526298 /nfs/dbraw/zinc/52/62/98/521526298.db2.gz ANIRIKMQBOUKCW-UHFFFAOYSA-N 1 2 369.469 2.717 20 30 FFEDLO COc1cc(C[NH+]2CC(CC#N)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000597193613 521567406 /nfs/dbraw/zinc/56/74/06/521567406.db2.gz IJTFZDBDIQFFBI-UHFFFAOYSA-N 1 2 359.304 2.890 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000612353959 521589323 /nfs/dbraw/zinc/58/93/23/521589323.db2.gz GOKCZFQJFKSGFV-MRXNPFEDSA-N 1 2 369.425 2.649 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1F ZINC000612359215 521591781 /nfs/dbraw/zinc/59/17/81/521591781.db2.gz HGIVZNXZKSESHQ-QFBILLFUSA-N 1 2 355.417 2.984 20 30 FFEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1cccc(CC#N)c1 ZINC000619499770 521599873 /nfs/dbraw/zinc/59/98/73/521599873.db2.gz UDDJVDFLWRIFTH-UHFFFAOYSA-N 1 2 360.483 2.612 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@]2(CCOC2)O1 ZINC000619516228 521604894 /nfs/dbraw/zinc/60/48/94/521604894.db2.gz GVIPCWQZWXYRRQ-QAPCUYQASA-N 1 2 352.381 2.930 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@]2(CCOC2)O1 ZINC000619516228 521604900 /nfs/dbraw/zinc/60/49/00/521604900.db2.gz GVIPCWQZWXYRRQ-QAPCUYQASA-N 1 2 352.381 2.930 20 30 FFEDLO N#Cc1ccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1Cl ZINC000619759865 521857157 /nfs/dbraw/zinc/85/71/57/521857157.db2.gz DMGPDRBZCBSQIM-HNNXBMFYSA-N 1 2 355.829 2.685 20 30 FFEDLO CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000626155518 521976347 /nfs/dbraw/zinc/97/63/47/521976347.db2.gz QNZRQEQAIRAOAJ-QGZVFWFLSA-N 1 2 366.465 2.728 20 30 FFEDLO CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000626155518 521976352 /nfs/dbraw/zinc/97/63/52/521976352.db2.gz QNZRQEQAIRAOAJ-QGZVFWFLSA-N 1 2 366.465 2.728 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800626 523697650 /nfs/dbraw/zinc/69/76/50/523697650.db2.gz YWSWNHAXSMNBLP-RTWAWAEBSA-N 1 2 369.465 2.541 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800626 523697654 /nfs/dbraw/zinc/69/76/54/523697654.db2.gz YWSWNHAXSMNBLP-RTWAWAEBSA-N 1 2 369.465 2.541 20 30 FFEDLO Cn1cc(C#N)c(=NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)[nH]1 ZINC000610876591 554573987 /nfs/dbraw/zinc/57/39/87/554573987.db2.gz AIJWCLWKNNMTFN-IAGOWNOFSA-N 1 2 361.409 2.539 20 30 FFEDLO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)n1 ZINC000541144578 562604344 /nfs/dbraw/zinc/60/43/44/562604344.db2.gz CGGJBLUSMUYBEU-LBPRGKRZSA-N 1 2 366.812 2.795 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC000736300526 600597471 /nfs/dbraw/zinc/59/74/71/600597471.db2.gz ZZINHJWEMMJQJE-YJBOKZPZSA-N 1 2 352.438 2.783 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)CSc2ncnc3sc(C)c(C)c32)CC1 ZINC000068445434 728191322 /nfs/dbraw/zinc/19/13/22/728191322.db2.gz UUHWCPLXAJJUKD-UHFFFAOYSA-N 1 2 374.535 2.568 20 30 FFEDLO C[C@H]1CN=C(N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)S1 ZINC000093662981 728477100 /nfs/dbraw/zinc/47/71/00/728477100.db2.gz ZUXSVANYLPVBMV-INIZCTEOSA-N 1 2 358.511 2.978 20 30 FFEDLO C#Cc1cccc(N(C)CC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000103230051 728495388 /nfs/dbraw/zinc/49/53/88/728495388.db2.gz WSKAQXWPISWGOQ-UHFFFAOYSA-N 1 2 353.491 2.510 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000113249146 728553141 /nfs/dbraw/zinc/55/31/41/728553141.db2.gz BNQPVYOEGPZYKR-GFCCVEGCSA-N 1 2 361.829 2.690 20 30 FFEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000859556032 730458682 /nfs/dbraw/zinc/45/86/82/730458682.db2.gz CKAPSZYOCHHIOF-GJZGRUSLSA-N 1 2 359.388 2.813 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862374575 730694008 /nfs/dbraw/zinc/69/40/08/730694008.db2.gz OEKOWQOMBNURQH-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO N#C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1cccc(Cl)c1Cl ZINC000865620773 730977720 /nfs/dbraw/zinc/97/77/20/730977720.db2.gz CURHGOOQLJICCG-IWZWCOEHSA-N 1 2 354.237 2.563 20 30 FFEDLO C[C@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1cccc(C#N)c1O ZINC000866237278 731042858 /nfs/dbraw/zinc/04/28/58/731042858.db2.gz HTVSIRGOVJXTMJ-HNNXBMFYSA-N 1 2 358.463 2.920 20 30 FFEDLO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1cccc(C#N)c1O ZINC000925518613 738512481 /nfs/dbraw/zinc/51/24/81/738512481.db2.gz ZBVCKPSOIMDPIY-QGZVFWFLSA-N 1 2 356.447 2.835 20 30 FFEDLO C=C(Cl)C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(=O)OCC ZINC000870029205 731464239 /nfs/dbraw/zinc/46/42/39/731464239.db2.gz LDKACPPDISMWEB-INIZCTEOSA-N 1 2 361.829 2.736 20 30 FFEDLO C=CCCn1cc(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)nn1 ZINC000657375523 731774514 /nfs/dbraw/zinc/77/45/14/731774514.db2.gz HRFZQMVXZIPXLF-MRXNPFEDSA-N 1 2 359.861 2.793 20 30 FFEDLO Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(C#N)cnc3Cl)C2=O)cc1 ZINC000877472974 732367417 /nfs/dbraw/zinc/36/74/17/732367417.db2.gz CCWRAFNBKQMHIV-KRWDZBQOSA-N 1 2 354.841 2.806 20 30 FFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccc(S(N)(=O)=O)c1 ZINC000877517365 732378726 /nfs/dbraw/zinc/37/87/26/732378726.db2.gz LVTZQERUKJZAMB-UHFFFAOYSA-N 1 2 362.499 2.690 20 30 FFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccc(S(N)(=O)=O)c1 ZINC000877517365 732378730 /nfs/dbraw/zinc/37/87/30/732378730.db2.gz LVTZQERUKJZAMB-UHFFFAOYSA-N 1 2 362.499 2.690 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)ccc1OC ZINC000877789833 732432004 /nfs/dbraw/zinc/43/20/04/732432004.db2.gz CSQXCOYOGGDCEC-IRXDYDNUSA-N 1 2 365.495 2.517 20 30 FFEDLO C=C(C)COc1cc(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)ccc1OC ZINC000877789833 732432006 /nfs/dbraw/zinc/43/20/06/732432006.db2.gz CSQXCOYOGGDCEC-IRXDYDNUSA-N 1 2 365.495 2.517 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N([C@H](C)c1ccccc1Cl)C1CC1 ZINC000884074962 733476119 /nfs/dbraw/zinc/47/61/19/733476119.db2.gz ICVFCYJOIFHGMI-WBMJQRKESA-N 1 2 350.846 2.839 20 30 FFEDLO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2c(C)csc2C(=O)OC)CC1 ZINC000886780741 733833871 /nfs/dbraw/zinc/83/38/71/733833871.db2.gz YHMUCFKQGNOCTR-ZDUSSCGKSA-N 1 2 366.483 2.573 20 30 FFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H]2CCCCS2)CC1=O ZINC000783685633 738826794 /nfs/dbraw/zinc/82/67/94/738826794.db2.gz ZEFNVNHQTPZRNS-ZDUSSCGKSA-N 1 2 356.495 2.932 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000733196096 734796537 /nfs/dbraw/zinc/79/65/37/734796537.db2.gz GFKIOPWNKDMCDG-HZPDHXFCSA-N 1 2 353.507 2.741 20 30 FFEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000735937321 734967994 /nfs/dbraw/zinc/96/79/94/734967994.db2.gz HEJWYSGBMICGSY-UHFFFAOYSA-N 1 2 353.340 2.777 20 30 FFEDLO N#CCn1c(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)nc2ccccc2c1=O ZINC000752358790 735979723 /nfs/dbraw/zinc/97/97/23/735979723.db2.gz IGHMCXVWRTVUBD-IRXDYDNUSA-N 1 2 354.479 2.780 20 30 FFEDLO N#CCn1c(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)nc2ccccc2c1=O ZINC000752358790 735979727 /nfs/dbraw/zinc/97/97/27/735979727.db2.gz IGHMCXVWRTVUBD-IRXDYDNUSA-N 1 2 354.479 2.780 20 30 FFEDLO CSc1ccc(NC(=O)CO[NH+]=C(N)c2ccc3c(c2)CCO3)cc1 ZINC000753821893 736097538 /nfs/dbraw/zinc/09/75/38/736097538.db2.gz BYUMMWUFJQGFSA-UHFFFAOYSA-N 1 2 357.435 2.619 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000905452206 736342446 /nfs/dbraw/zinc/34/24/46/736342446.db2.gz JFCAEOZRFDUQIM-RBUKOAKNSA-N 1 2 358.438 2.947 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(Cl)c(F)c3)CC2)nc1 ZINC000759047165 736543165 /nfs/dbraw/zinc/54/31/65/736543165.db2.gz ZPKJNWUKRUZKER-QGZVFWFLSA-N 1 2 360.820 2.601 20 30 FFEDLO C#C[C@@H](C)[N@H+](C)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000769975937 737587670 /nfs/dbraw/zinc/58/76/70/737587670.db2.gz PBKPRYYUDGIARX-YLJYHZDGSA-N 1 2 356.491 2.968 20 30 FFEDLO C#C[C@@H](C)[N@@H+](C)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000769975937 737587673 /nfs/dbraw/zinc/58/76/73/737587673.db2.gz PBKPRYYUDGIARX-YLJYHZDGSA-N 1 2 356.491 2.968 20 30 FFEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3cccc(NS(C)(=O)=O)c3)n2c1 ZINC000771858157 737761951 /nfs/dbraw/zinc/76/19/51/737761951.db2.gz GURQTQCKQWFDDG-BQYQJAHWSA-N 1 2 355.419 2.910 20 30 FFEDLO C#C[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)[C@H]1CCCO1 ZINC000775435928 738092634 /nfs/dbraw/zinc/09/26/34/738092634.db2.gz ZBGMYOLUUKJBSA-CWRNSKLLSA-N 1 2 362.499 2.677 20 30 FFEDLO C#C[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)[C@H]1CCCO1 ZINC000775435928 738092638 /nfs/dbraw/zinc/09/26/38/738092638.db2.gz ZBGMYOLUUKJBSA-CWRNSKLLSA-N 1 2 362.499 2.677 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](C[C@H]3CCC[C@@H](C(F)(F)F)O3)CC2)c1 ZINC000929270467 738963186 /nfs/dbraw/zinc/96/31/86/738963186.db2.gz SATRYWJRWRKVJF-CABCVRRESA-N 1 2 354.376 2.575 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000785755198 738995754 /nfs/dbraw/zinc/99/57/54/738995754.db2.gz VEGHISNUEWFKKN-SFHVURJKSA-N 1 2 350.484 2.538 20 30 FFEDLO C#CC1(O)CC[NH+](Cc2nnc(-c3ccc(Br)s3)o2)CC1 ZINC000931144331 739218538 /nfs/dbraw/zinc/21/85/38/739218538.db2.gz ZBYRTHIOCFPNNN-UHFFFAOYSA-N 1 2 368.256 2.521 20 30 FFEDLO Cn1cc[nH+]c1NN=Cc1cc(Br)c2c(c1)OCCCO2 ZINC000790301736 739435532 /nfs/dbraw/zinc/43/55/32/739435532.db2.gz IGUARTZZFUGFHK-UHFFFAOYSA-N 1 2 351.204 2.790 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=C)Br)CC1(C)C ZINC000941038902 740193460 /nfs/dbraw/zinc/19/34/60/740193460.db2.gz JUPJFXCCBNSFQZ-ILXRZTDVSA-N 1 2 371.319 2.703 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=C)Br)CC1(C)C ZINC000941038902 740193462 /nfs/dbraw/zinc/19/34/62/740193462.db2.gz JUPJFXCCBNSFQZ-ILXRZTDVSA-N 1 2 371.319 2.703 20 30 FFEDLO O=S(=O)(OCC(F)(F)C(F)F)c1ccccc1Cn1cc[nH+]c1 ZINC000799743918 740447254 /nfs/dbraw/zinc/44/72/54/740447254.db2.gz LTBXIVWQKVDGTE-UHFFFAOYSA-N 1 2 352.309 2.537 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=C)C)CC1 ZINC000802572579 740709777 /nfs/dbraw/zinc/70/97/77/740709777.db2.gz YHTZYKMMEKADNV-UHFFFAOYSA-N 1 2 355.873 2.930 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CCC(C)C)n2Cc2cccs2)CC1 ZINC000802698970 740718750 /nfs/dbraw/zinc/71/87/50/740718750.db2.gz WYDFJBHORUMCDT-UHFFFAOYSA-N 1 2 357.527 2.732 20 30 FFEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCO[C@H]3CC)C2)C1 ZINC000981906655 741179345 /nfs/dbraw/zinc/17/93/45/741179345.db2.gz BPGQJGCVULNIAV-CABCVRRESA-N 1 2 371.319 2.635 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCO[C@H]3CC)C2)C1 ZINC000981906655 741179347 /nfs/dbraw/zinc/17/93/47/741179347.db2.gz BPGQJGCVULNIAV-CABCVRRESA-N 1 2 371.319 2.635 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2F)CC1 ZINC000981992993 741184179 /nfs/dbraw/zinc/18/41/79/741184179.db2.gz UDBVGWYDYCKTDL-AEFFLSMTSA-N 1 2 350.409 2.590 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2F)CC1 ZINC000981992993 741184181 /nfs/dbraw/zinc/18/41/81/741184181.db2.gz UDBVGWYDYCKTDL-AEFFLSMTSA-N 1 2 350.409 2.590 20 30 FFEDLO CN(C)C(=O)OC1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000815188921 741910242 /nfs/dbraw/zinc/91/02/42/741910242.db2.gz BDSYSJVOQUOIQN-UHFFFAOYSA-N 1 2 366.259 2.983 20 30 FFEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)nn1 ZINC000818347717 742265391 /nfs/dbraw/zinc/26/53/91/742265391.db2.gz UFYIAZFYBQDLRS-VIFPVBQESA-N 1 2 355.211 2.922 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001015817205 742482631 /nfs/dbraw/zinc/48/26/31/742482631.db2.gz XOHHIEHDBIDDSQ-BQFCYCMXSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001015817205 742482635 /nfs/dbraw/zinc/48/26/35/742482635.db2.gz XOHHIEHDBIDDSQ-BQFCYCMXSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC001015827123 742484362 /nfs/dbraw/zinc/48/43/62/742484362.db2.gz MYIQLOKCLOPFLH-BQFCYCMXSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001015827123 742484364 /nfs/dbraw/zinc/48/43/64/742484364.db2.gz MYIQLOKCLOPFLH-BQFCYCMXSA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2nc(C)sc2C)C1 ZINC001033086999 742870148 /nfs/dbraw/zinc/87/01/48/742870148.db2.gz NXZXQKALOVJHRI-NUJGCVRESA-N 1 2 363.527 2.774 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001033086999 742870158 /nfs/dbraw/zinc/87/01/58/742870158.db2.gz NXZXQKALOVJHRI-NUJGCVRESA-N 1 2 363.527 2.774 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC001033433339 742886891 /nfs/dbraw/zinc/88/68/91/742886891.db2.gz UXXFHBYJRKSDFW-ZACQAIPSSA-N 1 2 361.511 2.644 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC001033433339 742886901 /nfs/dbraw/zinc/88/69/01/742886901.db2.gz UXXFHBYJRKSDFW-ZACQAIPSSA-N 1 2 361.511 2.644 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001044038356 743231635 /nfs/dbraw/zinc/23/16/35/743231635.db2.gz XXALQIUXAJBONP-SNPRPXQTSA-N 1 2 361.313 2.694 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC001046946071 743341888 /nfs/dbraw/zinc/34/18/88/743341888.db2.gz ZWLZLULHFNYJBS-KKUMJFAQSA-N 1 2 364.864 2.873 20 30 FFEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC001046946071 743341897 /nfs/dbraw/zinc/34/18/97/743341897.db2.gz ZWLZLULHFNYJBS-KKUMJFAQSA-N 1 2 364.864 2.873 20 30 FFEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3CC(C)C)C2)CC1 ZINC001052089847 743572844 /nfs/dbraw/zinc/57/28/44/743572844.db2.gz UKGRZGCRIHSXIB-FGTMMUONSA-N 1 2 353.938 2.640 20 30 FFEDLO C#CC1CC[NH+](CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000830301568 745335326 /nfs/dbraw/zinc/33/53/26/745335326.db2.gz OUDZFRAFALHBGR-UHFFFAOYSA-N 1 2 356.285 2.568 20 30 FFEDLO C=CCN1CCN(C[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)C1=O ZINC000840079338 746993743 /nfs/dbraw/zinc/99/37/43/746993743.db2.gz LVCYBTPXNBHXAX-UHFFFAOYSA-N 1 2 357.376 2.941 20 30 FFEDLO C=CCN1CCN(C[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)C1=O ZINC000840079338 746993747 /nfs/dbraw/zinc/99/37/47/746993747.db2.gz LVCYBTPXNBHXAX-UHFFFAOYSA-N 1 2 357.376 2.941 20 30 FFEDLO N#Cc1ccccc1NC(=O)CC[NH+]1CC(O)(c2ccc(Cl)cc2)C1 ZINC000852021010 749754144 /nfs/dbraw/zinc/75/41/44/749754144.db2.gz UGKUPGWDIJYGOG-UHFFFAOYSA-N 1 2 355.825 2.744 20 30 FFEDLO C[C@@]1(c2ccc(Cl)cc2)CC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853524395 750082720 /nfs/dbraw/zinc/08/27/20/750082720.db2.gz MRSISLLGVXTRNZ-KUHUBIRLSA-N 1 2 359.857 2.940 20 30 FFEDLO C[C@@]1(c2ccc(Cl)cc2)CC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853524395 750082727 /nfs/dbraw/zinc/08/27/27/750082727.db2.gz MRSISLLGVXTRNZ-KUHUBIRLSA-N 1 2 359.857 2.940 20 30 FFEDLO COC(=O)c1ccc(-c2nc(CO[NH+]=C(N)c3ccccc3)co2)cc1 ZINC000181486901 970934049 /nfs/dbraw/zinc/93/40/49/970934049.db2.gz XEBRTJZZYVFSRH-UHFFFAOYSA-N 1 2 351.362 2.965 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CCCN(c3cc(N4CCCCC4)[nH+]cn3)C2)nc1 ZINC000895844514 970992685 /nfs/dbraw/zinc/99/26/85/970992685.db2.gz HICOKMIZXURKNV-QGZVFWFLSA-N 1 2 363.469 2.814 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CCCN(c3cc(N4CCCCC4)nc[nH+]3)C2)nc1 ZINC000895844514 970992688 /nfs/dbraw/zinc/99/26/88/970992688.db2.gz HICOKMIZXURKNV-QGZVFWFLSA-N 1 2 363.469 2.814 20 30 FFEDLO Cc1c(C(=O)OCC2CCN(c3cccc[nH+]3)CC2)cnn1CCC#N ZINC000893220093 971006783 /nfs/dbraw/zinc/00/67/83/971006783.db2.gz KYTGRLGCKHKRPY-UHFFFAOYSA-N 1 2 353.426 2.574 20 30 FFEDLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC001087959454 971338565 /nfs/dbraw/zinc/33/85/65/971338565.db2.gz ZGTBDMPWLOELOI-OIISXLGYSA-N 1 2 370.497 2.622 20 30 FFEDLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC001087959454 971338569 /nfs/dbraw/zinc/33/85/69/971338569.db2.gz ZGTBDMPWLOELOI-OIISXLGYSA-N 1 2 370.497 2.622 20 30 FFEDLO C[C@H]1CC(N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C[C@H](C)O1 ZINC000162419322 971492678 /nfs/dbraw/zinc/49/26/78/971492678.db2.gz NMOHJXDXNJFPSQ-STQMWFEESA-N 1 2 354.454 2.602 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)NCC#C[C@@H]1CCCCO1)c1ccccc1 ZINC000893320406 971584217 /nfs/dbraw/zinc/58/42/17/971584217.db2.gz ZCGMWHPPIAMCCF-RBUKOAKNSA-N 1 2 366.465 2.576 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CCC[N@H+](Cc3cn(-c4ccccc4)nn3)C2)nc1 ZINC000896654862 971654240 /nfs/dbraw/zinc/65/42/40/971654240.db2.gz PCSMYDBNTWBAGW-QGZVFWFLSA-N 1 2 359.437 2.610 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3cn(-c4ccccc4)nn3)C2)nc1 ZINC000896654862 971654244 /nfs/dbraw/zinc/65/42/44/971654244.db2.gz PCSMYDBNTWBAGW-QGZVFWFLSA-N 1 2 359.437 2.610 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001059440773 971719929 /nfs/dbraw/zinc/71/99/29/971719929.db2.gz IFDVTYYZGQMWSL-LFEHRJTNSA-N 1 2 370.497 2.704 20 30 FFEDLO N#CCOc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)cc1 ZINC001116021356 1032067715 /nfs/dbraw/zinc/06/77/15/1032067715.db2.gz FKRQCTCUVUKFHF-IBGZPJMESA-N 1 2 350.422 2.977 20 30 FFEDLO N#CCOc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)cc1 ZINC001116021356 1032067731 /nfs/dbraw/zinc/06/77/31/1032067731.db2.gz FKRQCTCUVUKFHF-IBGZPJMESA-N 1 2 350.422 2.977 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ocnc1C ZINC001029508458 972378789 /nfs/dbraw/zinc/37/87/89/972378789.db2.gz FBXJDWYNBDEDRK-ZMMAXQRCSA-N 1 2 359.470 2.530 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ocnc1C ZINC001029508458 972378796 /nfs/dbraw/zinc/37/87/96/972378796.db2.gz FBXJDWYNBDEDRK-ZMMAXQRCSA-N 1 2 359.470 2.530 20 30 FFEDLO COc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1C#N ZINC001125352006 960566312 /nfs/dbraw/zinc/56/63/12/960566312.db2.gz QTFLMGKCVUVAGV-UHFFFAOYSA-N 1 2 350.353 2.822 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cncc(F)c2)C3)cc1F ZINC001095302939 1013198839 /nfs/dbraw/zinc/19/88/39/1013198839.db2.gz PYRQIQDFVPSDLL-NEWSRXKRSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cncc(F)c2)C3)cc1F ZINC001095302939 1013198852 /nfs/dbraw/zinc/19/88/52/1013198852.db2.gz PYRQIQDFVPSDLL-NEWSRXKRSA-N 1 2 368.387 2.767 20 30 FFEDLO Cc1nn(C)c2nc(Cl)cc(N[NH+]=Cc3cnc(N4CCCC4)nc3)c12 ZINC000872423294 1013216992 /nfs/dbraw/zinc/21/69/92/1013216992.db2.gz KMMYHQXCWSKWOM-UHFFFAOYSA-N 1 2 370.848 2.766 20 30 FFEDLO N#CC[C@@H]1CCC[N@@H+](CN2C(=O)C[C@@]3(CCc4cc(Cl)ccc43)C2=O)C1 ZINC000872624910 1013239449 /nfs/dbraw/zinc/23/94/49/1013239449.db2.gz YNOYBUUWHVGWLR-VBKZILBWSA-N 1 2 371.868 2.866 20 30 FFEDLO N#CC[C@@H]1CCC[N@H+](CN2C(=O)C[C@@]3(CCc4cc(Cl)ccc43)C2=O)C1 ZINC000872624910 1013239455 /nfs/dbraw/zinc/23/94/55/1013239455.db2.gz YNOYBUUWHVGWLR-VBKZILBWSA-N 1 2 371.868 2.866 20 30 FFEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(Cl)cncc1Cl)CC2 ZINC001275969288 1013243466 /nfs/dbraw/zinc/24/34/66/1013243466.db2.gz GITMWMBZVOLCMZ-ZDUSSCGKSA-N 1 2 352.265 2.740 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)cc(F)c1 ZINC001110177908 1013368706 /nfs/dbraw/zinc/36/87/06/1013368706.db2.gz NQDXURPSSKQFQU-SQNIBIBYSA-N 1 2 350.409 2.779 20 30 FFEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)cc(F)c1 ZINC001110177908 1013368714 /nfs/dbraw/zinc/36/87/14/1013368714.db2.gz NQDXURPSSKQFQU-SQNIBIBYSA-N 1 2 350.409 2.779 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(C)c(F)c1F)C2 ZINC001276067084 1013400125 /nfs/dbraw/zinc/40/01/25/1013400125.db2.gz JXOUKTOCZGZZCK-LJQANCHMSA-N 1 2 350.409 2.510 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(C)c(F)c1F)C2 ZINC001276067084 1013400133 /nfs/dbraw/zinc/40/01/33/1013400133.db2.gz JXOUKTOCZGZZCK-LJQANCHMSA-N 1 2 350.409 2.510 20 30 FFEDLO COc1cc(C#N)ccc1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000933242811 963740769 /nfs/dbraw/zinc/74/07/69/963740769.db2.gz DHOMVPRGMDNRET-UHFFFAOYSA-N 1 2 365.433 2.960 20 30 FFEDLO C=CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3csc(C(F)(F)F)n3)C2)C1=O ZINC001276121579 1013480349 /nfs/dbraw/zinc/48/03/49/1013480349.db2.gz PUEHETLICDEBST-HNNXBMFYSA-N 1 2 373.400 2.689 20 30 FFEDLO C=CCN1C(=O)C[C@]2(CCC[N@H+](Cc3csc(C(F)(F)F)n3)C2)C1=O ZINC001276121579 1013480354 /nfs/dbraw/zinc/48/03/54/1013480354.db2.gz PUEHETLICDEBST-HNNXBMFYSA-N 1 2 373.400 2.689 20 30 FFEDLO N#CCCCN1CC[C@@]2(CC[N@@H+](Cc3csc(C(F)(F)F)n3)C2)C1=O ZINC001276122015 1013484322 /nfs/dbraw/zinc/48/43/22/1013484322.db2.gz XYXNDAHROLVBHH-OAHLLOKOSA-N 1 2 372.416 2.890 20 30 FFEDLO N#CCCCN1CC[C@@]2(CC[N@H+](Cc3csc(C(F)(F)F)n3)C2)C1=O ZINC001276122015 1013484328 /nfs/dbraw/zinc/48/43/28/1013484328.db2.gz XYXNDAHROLVBHH-OAHLLOKOSA-N 1 2 372.416 2.890 20 30 FFEDLO Cc1cc(C#N)cc(C)c1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000891680521 964809888 /nfs/dbraw/zinc/80/98/88/964809888.db2.gz BRIXJPXRYOEHML-UHFFFAOYSA-N 1 2 363.461 2.937 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2C[NH+]2CCC(C#N)CC2)C1 ZINC000891852316 965225858 /nfs/dbraw/zinc/22/58/58/965225858.db2.gz LFGMHRGGGFNDIH-MRXNPFEDSA-N 1 2 374.489 2.586 20 30 FFEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000971980328 965851203 /nfs/dbraw/zinc/85/12/03/965851203.db2.gz YRZKAWAFFYKWSV-ZCNNSNEGSA-N 1 2 371.456 2.545 20 30 FFEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000971980328 965851210 /nfs/dbraw/zinc/85/12/10/965851210.db2.gz YRZKAWAFFYKWSV-ZCNNSNEGSA-N 1 2 371.456 2.545 20 30 FFEDLO C=CCCn1cc(CN[C@@H](CC)[C@H]2C[N@H+](Cc3ccccc3)CCO2)nn1 ZINC000657400148 966404073 /nfs/dbraw/zinc/40/40/73/966404073.db2.gz WNAXPICCTBCBJC-LEWJYISDSA-N 1 2 369.513 2.623 20 30 FFEDLO C=CCCn1cc(CN[C@@H](CC)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1 ZINC000657400148 966404074 /nfs/dbraw/zinc/40/40/74/966404074.db2.gz WNAXPICCTBCBJC-LEWJYISDSA-N 1 2 369.513 2.623 20 30 FFEDLO C[C@H]1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000126269435 967432671 /nfs/dbraw/zinc/43/26/71/967432671.db2.gz ZGODPKYOEHJNCH-ROGWWRQYSA-N 1 2 350.422 2.908 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC001087534683 967850473 /nfs/dbraw/zinc/85/04/73/967850473.db2.gz GEPHKBVAZLGNSN-GOEBONIOSA-N 1 2 353.426 2.535 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1ncc(C2CC2)o1 ZINC001087534683 967850487 /nfs/dbraw/zinc/85/04/87/967850487.db2.gz GEPHKBVAZLGNSN-GOEBONIOSA-N 1 2 353.426 2.535 20 30 FFEDLO CC(C)c1nc([C@@H]2CCCN(C([O-])=[NH+][C@H]3CCc4[nH]c[nH+]c4C3)C2)no1 ZINC000329755776 968008475 /nfs/dbraw/zinc/00/84/75/968008475.db2.gz YHMGNPWXLBGPBM-OLZOCXBDSA-N 1 2 358.446 2.567 20 30 FFEDLO CC(C)c1nc([C@@H]2CCCN(C([O-])=[NH+][C@H]3CCc4[nH+]c[nH]c4C3)C2)no1 ZINC000329755776 968008484 /nfs/dbraw/zinc/00/84/84/968008484.db2.gz YHMGNPWXLBGPBM-OLZOCXBDSA-N 1 2 358.446 2.567 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ncc[nH]2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087566410 968169371 /nfs/dbraw/zinc/16/93/71/968169371.db2.gz JWNZMXUOYCQDMO-DLBZAZTESA-N 1 2 356.857 2.698 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2ncc[nH]2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087566410 968169379 /nfs/dbraw/zinc/16/93/79/968169379.db2.gz JWNZMXUOYCQDMO-DLBZAZTESA-N 1 2 356.857 2.698 20 30 FFEDLO N#Cc1ccc(CCNc2nc[nH+]c3cc(N4CCOCC4)ccc32)cc1 ZINC001167678573 968302976 /nfs/dbraw/zinc/30/29/76/968302976.db2.gz PCEBFMKWKFJCAF-UHFFFAOYSA-N 1 2 359.433 2.993 20 30 FFEDLO CCOC(=O)CCCc1ccc(C#N)cc1NC(=O)CCn1cc[nH+]c1 ZINC001176878600 1013791264 /nfs/dbraw/zinc/79/12/64/1013791264.db2.gz AIYDFMOAKHISKP-UHFFFAOYSA-N 1 2 354.410 2.669 20 30 FFEDLO CC(F)(F)C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001075484443 968355000 /nfs/dbraw/zinc/35/50/00/968355000.db2.gz LNYBNCIMCDTCJM-GOEBONIOSA-N 1 2 352.812 2.879 20 30 FFEDLO CC(F)(F)C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001075484443 968355008 /nfs/dbraw/zinc/35/50/08/968355008.db2.gz LNYBNCIMCDTCJM-GOEBONIOSA-N 1 2 352.812 2.879 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ncccc2F)[C@H]1CC ZINC001087773699 968988290 /nfs/dbraw/zinc/98/82/90/968988290.db2.gz BJDSMWTYYRYKPE-QWHCGFSZSA-N 1 2 356.239 2.712 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ncccc2F)[C@H]1CC ZINC001087773699 968988297 /nfs/dbraw/zinc/98/82/97/968988297.db2.gz BJDSMWTYYRYKPE-QWHCGFSZSA-N 1 2 356.239 2.712 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(-c4ccccc4)cn3)[C@@H]2C1 ZINC001075819792 969076393 /nfs/dbraw/zinc/07/63/93/969076393.db2.gz CMHKXAWHKAIDEH-MAUKXSAKSA-N 1 2 356.857 2.771 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cn(-c4ccccc4)cn3)[C@@H]2C1 ZINC001075819792 969076400 /nfs/dbraw/zinc/07/64/00/969076400.db2.gz CMHKXAWHKAIDEH-MAUKXSAKSA-N 1 2 356.857 2.771 20 30 FFEDLO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000125138736 1013886283 /nfs/dbraw/zinc/88/62/83/1013886283.db2.gz LUCCSVDBLGTABL-ZFMLPXDISA-N 1 2 368.437 2.930 20 30 FFEDLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNc2nc(Cl)c(C#N)s2)C1 ZINC000694770818 969774236 /nfs/dbraw/zinc/77/42/36/969774236.db2.gz HDIKWJPQFUWWTP-CQSZACIVSA-N 1 2 361.902 2.896 20 30 FFEDLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNc2nc(Cl)c(C#N)s2)C1 ZINC000694770818 969774239 /nfs/dbraw/zinc/77/42/39/969774239.db2.gz HDIKWJPQFUWWTP-CQSZACIVSA-N 1 2 361.902 2.896 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@@H+](Cn2c(=O)sc3c2CCCC3)CC1 ZINC000103265750 970019030 /nfs/dbraw/zinc/01/90/30/970019030.db2.gz LRANLZNIPVVCSN-UHFFFAOYSA-N 1 2 368.506 2.830 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@H+](Cn2c(=O)sc3c2CCCC3)CC1 ZINC000103265750 970019038 /nfs/dbraw/zinc/01/90/38/970019038.db2.gz LRANLZNIPVVCSN-UHFFFAOYSA-N 1 2 368.506 2.830 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2coc(C)n2)[C@@H]1CC ZINC001087810256 970319508 /nfs/dbraw/zinc/31/95/08/970319508.db2.gz LAIQQZQWESTIHM-VQTJNVASSA-N 1 2 351.450 2.676 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2coc(C)n2)[C@@H]1CC ZINC001087810256 970319515 /nfs/dbraw/zinc/31/95/15/970319515.db2.gz LAIQQZQWESTIHM-VQTJNVASSA-N 1 2 351.450 2.676 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001481191011 970342993 /nfs/dbraw/zinc/34/29/93/970342993.db2.gz ZNNMEBSXENQPKR-ICSRJNTNSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001481191011 970343004 /nfs/dbraw/zinc/34/30/04/970343004.db2.gz ZNNMEBSXENQPKR-ICSRJNTNSA-N 1 2 371.456 2.759 20 30 FFEDLO Cc1cc(CNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc(C)[nH+]1 ZINC000895411553 970595549 /nfs/dbraw/zinc/59/55/49/970595549.db2.gz OFSKSJQPKZPOPO-LJQANCHMSA-N 1 2 350.422 2.853 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(CC)s3)CC[C@@H]2C1 ZINC001088093532 972730984 /nfs/dbraw/zinc/73/09/84/972730984.db2.gz ZQQGXCZHMVXURA-ZRGWGRIASA-N 1 2 362.543 2.983 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(CC)s3)CC[C@@H]2C1 ZINC001088093532 972730990 /nfs/dbraw/zinc/73/09/90/972730990.db2.gz ZQQGXCZHMVXURA-ZRGWGRIASA-N 1 2 362.543 2.983 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](Cc4nccn4C(F)F)CC[C@@H]3C2)C1 ZINC001088097664 972762080 /nfs/dbraw/zinc/76/20/80/972762080.db2.gz GJSQSJUYOUSRMB-CABCVRRESA-N 1 2 364.440 2.915 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](Cc4nccn4C(F)F)CC[C@@H]3C2)C1 ZINC001088097664 972762088 /nfs/dbraw/zinc/76/20/88/972762088.db2.gz GJSQSJUYOUSRMB-CABCVRRESA-N 1 2 364.440 2.915 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)n2C)C1 ZINC001098720683 973218853 /nfs/dbraw/zinc/21/88/53/973218853.db2.gz NOACTQGRAPHSDF-YOEHRIQHSA-N 1 2 366.303 2.826 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)n2C)C1 ZINC001098720683 973218862 /nfs/dbraw/zinc/21/88/62/973218862.db2.gz NOACTQGRAPHSDF-YOEHRIQHSA-N 1 2 366.303 2.826 20 30 FFEDLO C#CC[C@H](CCOC)NC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000875920277 1014095740 /nfs/dbraw/zinc/09/57/40/1014095740.db2.gz ZFMKYEUJDZACFI-PKOBYXMFSA-N 1 2 373.497 2.512 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC(F)(F)C(F)F ZINC001271585650 973904865 /nfs/dbraw/zinc/90/48/65/973904865.db2.gz SAPWPAGXKYJSCP-MJBXVCDLSA-N 1 2 366.399 2.839 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2nocc2C)C1 ZINC001027607900 975010267 /nfs/dbraw/zinc/01/02/67/975010267.db2.gz IUBKEICGJUOBOK-LNLFQRSKSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2nocc2C)C1 ZINC001027607900 975010274 /nfs/dbraw/zinc/01/02/74/975010274.db2.gz IUBKEICGJUOBOK-LNLFQRSKSA-N 1 2 361.486 2.777 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccn(C(C)C)n1 ZINC001027888679 975678483 /nfs/dbraw/zinc/67/84/83/975678483.db2.gz XAZDDZPVTVCWMC-QRVBRYPASA-N 1 2 360.502 2.526 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccn(C(C)C)n1 ZINC001027888679 975678487 /nfs/dbraw/zinc/67/84/87/975678487.db2.gz XAZDDZPVTVCWMC-QRVBRYPASA-N 1 2 360.502 2.526 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2c(F)cncc2F)C1 ZINC001087429122 975748216 /nfs/dbraw/zinc/74/82/16/975748216.db2.gz RYGYEQKGLTXGIX-CRAIPNDOSA-N 1 2 355.388 2.581 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2c(F)cncc2F)C1 ZINC001087429122 975748225 /nfs/dbraw/zinc/74/82/25/975748225.db2.gz RYGYEQKGLTXGIX-CRAIPNDOSA-N 1 2 355.388 2.581 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000961861263 1014282944 /nfs/dbraw/zinc/28/29/44/1014282944.db2.gz IFLDEIANEWEULM-KLBVCGFUSA-N 1 2 365.408 2.640 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000961861263 1014282956 /nfs/dbraw/zinc/28/29/56/1014282956.db2.gz IFLDEIANEWEULM-KLBVCGFUSA-N 1 2 365.408 2.640 20 30 FFEDLO N#Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cncs4)[C@@H]3C2)ccc1F ZINC001075588793 975962758 /nfs/dbraw/zinc/96/27/58/975962758.db2.gz OMJLEYAUDVWRTG-XJKSGUPXSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cncs4)[C@@H]3C2)ccc1F ZINC001075588793 975962767 /nfs/dbraw/zinc/96/27/67/975962767.db2.gz OMJLEYAUDVWRTG-XJKSGUPXSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cncs4)[C@@H]3C2)c(F)c1 ZINC001075589793 975983816 /nfs/dbraw/zinc/98/38/16/975983816.db2.gz NNHQBBFFVQLVLO-GOEBONIOSA-N 1 2 356.426 2.500 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cncs4)[C@@H]3C2)c(F)c1 ZINC001075589793 975983824 /nfs/dbraw/zinc/98/38/24/975983824.db2.gz NNHQBBFFVQLVLO-GOEBONIOSA-N 1 2 356.426 2.500 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000981370935 976497739 /nfs/dbraw/zinc/49/77/39/976497739.db2.gz AGUYGUNYPKUYHP-APWZRJJASA-N 1 2 359.445 2.547 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000981370935 976497750 /nfs/dbraw/zinc/49/77/50/976497750.db2.gz AGUYGUNYPKUYHP-APWZRJJASA-N 1 2 359.445 2.547 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)c1 ZINC000981656661 976686762 /nfs/dbraw/zinc/68/67/62/976686762.db2.gz CEUKDWJRBXWZPE-QUCCMNQESA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)c1 ZINC000981656661 976686768 /nfs/dbraw/zinc/68/67/68/976686768.db2.gz CEUKDWJRBXWZPE-QUCCMNQESA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)ccc1F ZINC000981656764 976687777 /nfs/dbraw/zinc/68/77/77/976687777.db2.gz HZTJIUFHVSDMJS-QUCCMNQESA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)ccc1F ZINC000981656764 976687785 /nfs/dbraw/zinc/68/77/85/976687785.db2.gz HZTJIUFHVSDMJS-QUCCMNQESA-N 1 2 371.456 2.547 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(Cl)cc3)[C@@H]2C1 ZINC001076002941 976734044 /nfs/dbraw/zinc/73/40/44/976734044.db2.gz JZJKIAIPSFHQPZ-SWLSCSKDSA-N 1 2 368.264 2.564 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(Cl)cc3)[C@@H]2C1 ZINC001076002941 976734054 /nfs/dbraw/zinc/73/40/54/976734054.db2.gz JZJKIAIPSFHQPZ-SWLSCSKDSA-N 1 2 368.264 2.564 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001087458261 977920166 /nfs/dbraw/zinc/92/01/66/977920166.db2.gz SKVSRNHVBOUIDO-QZTJIDSGSA-N 1 2 367.424 2.912 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001087458261 977920172 /nfs/dbraw/zinc/92/01/72/977920172.db2.gz SKVSRNHVBOUIDO-QZTJIDSGSA-N 1 2 367.424 2.912 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)[C@@H]2C)on1 ZINC001088463992 979721048 /nfs/dbraw/zinc/72/10/48/979721048.db2.gz ABKMGCLVMOBORA-PBHICJAKSA-N 1 2 357.841 2.881 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)[C@@H]2C)on1 ZINC001088463992 979721050 /nfs/dbraw/zinc/72/10/50/979721050.db2.gz ABKMGCLVMOBORA-PBHICJAKSA-N 1 2 357.841 2.881 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1cc(-c2ccco2)on1 ZINC001088513108 980372861 /nfs/dbraw/zinc/37/28/61/980372861.db2.gz AVJJGHQRJZIUIP-DOMZBBRYSA-N 1 2 365.393 2.527 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1cc(-c2ccco2)on1 ZINC001088513108 980372866 /nfs/dbraw/zinc/37/28/66/980372866.db2.gz AVJJGHQRJZIUIP-DOMZBBRYSA-N 1 2 365.393 2.527 20 30 FFEDLO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCc2nnc(N3CCCC3)cc2C1 ZINC000877644857 1014657807 /nfs/dbraw/zinc/65/78/07/1014657807.db2.gz ZEFBBEKNEPBIND-UHFFFAOYSA-N 1 2 362.481 2.573 20 30 FFEDLO CN(C)c1ccc(C#N)cc1C[N@H+]1CCc2nnc(N3CCCC3)cc2C1 ZINC000877644857 1014657817 /nfs/dbraw/zinc/65/78/17/1014657817.db2.gz ZEFBBEKNEPBIND-UHFFFAOYSA-N 1 2 362.481 2.573 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000905535858 980458889 /nfs/dbraw/zinc/45/88/89/980458889.db2.gz DPHRAUWIVHJYML-ZTNFWEORSA-N 1 2 356.397 2.554 20 30 FFEDLO CC/C=C(/C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001211964091 981270411 /nfs/dbraw/zinc/27/04/11/981270411.db2.gz BKDXEVFDYZQAPW-MQDLAIGISA-N 1 2 360.885 2.863 20 30 FFEDLO CC/C=C(/C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001211964091 981270414 /nfs/dbraw/zinc/27/04/14/981270414.db2.gz BKDXEVFDYZQAPW-MQDLAIGISA-N 1 2 360.885 2.863 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)/C=C/C(C)(C)C ZINC001212048296 981477245 /nfs/dbraw/zinc/47/72/45/981477245.db2.gz XZNCEIHPEJPRCD-HNGSOEQISA-N 1 2 359.445 2.615 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)/C=C/C(C)(C)C ZINC001212048296 981477249 /nfs/dbraw/zinc/47/72/49/981477249.db2.gz XZNCEIHPEJPRCD-HNGSOEQISA-N 1 2 359.445 2.615 20 30 FFEDLO Cc1[nH]nc(Cl)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088611867 981502977 /nfs/dbraw/zinc/50/29/77/981502977.db2.gz NGLJNBYKRRPQIQ-DOMZBBRYSA-N 1 2 357.845 2.636 20 30 FFEDLO Cc1[nH]nc(Cl)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088611867 981502979 /nfs/dbraw/zinc/50/29/79/981502979.db2.gz NGLJNBYKRRPQIQ-DOMZBBRYSA-N 1 2 357.845 2.636 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3coc(C)n3)[C@@H]2C)cc1 ZINC001088672052 982265889 /nfs/dbraw/zinc/26/58/89/982265889.db2.gz LSYYAXJKZHBORK-KUHUBIRLSA-N 1 2 355.438 2.941 20 30 FFEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3coc(C)n3)[C@@H]2C)cc1 ZINC001088672052 982265893 /nfs/dbraw/zinc/26/58/93/982265893.db2.gz LSYYAXJKZHBORK-KUHUBIRLSA-N 1 2 355.438 2.941 20 30 FFEDLO CCn1cc(CCO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)cn1 ZINC000842026287 982620813 /nfs/dbraw/zinc/62/08/13/982620813.db2.gz AYFHJMIGXYKJEV-UHFFFAOYSA-N 1 2 365.437 2.757 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2nccc(C(C)C)n2)CC1 ZINC000185816428 984032307 /nfs/dbraw/zinc/03/23/07/984032307.db2.gz MRYMOXRTNOLKDV-QGZVFWFLSA-N 1 2 359.518 2.535 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(C3CC3)nn1C)CC2 ZINC001107502184 984611357 /nfs/dbraw/zinc/61/13/57/984611357.db2.gz BCLFSUCSJFPZGY-IIBYNOLFSA-N 1 2 371.529 2.766 20 30 FFEDLO C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nc(C3CC3)nn1C)CC2 ZINC001107502184 984611361 /nfs/dbraw/zinc/61/13/61/984611361.db2.gz BCLFSUCSJFPZGY-IIBYNOLFSA-N 1 2 371.529 2.766 20 30 FFEDLO CCc1ccc([C@H](C)NC(=O)CO[NH+]=C(N)c2ccc3c(c2)CCO3)cc1 ZINC000158230133 984802266 /nfs/dbraw/zinc/80/22/66/984802266.db2.gz DWDCWIRGUGXEHN-AWEZNQCLSA-N 1 2 367.449 2.698 20 30 FFEDLO CCc1nocc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088841831 984816034 /nfs/dbraw/zinc/81/60/34/984816034.db2.gz AOMKMCDMONAEPY-XIKOKIGWSA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1nocc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088841831 984816047 /nfs/dbraw/zinc/81/60/47/984816047.db2.gz AOMKMCDMONAEPY-XIKOKIGWSA-N 1 2 356.401 2.641 20 30 FFEDLO CC(C)CNC(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000060212869 984880392 /nfs/dbraw/zinc/88/03/92/984880392.db2.gz FGQUGFLJKNFGJY-UHFFFAOYSA-N 1 2 355.438 2.675 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2conc2C2CC2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088849708 985002989 /nfs/dbraw/zinc/00/29/89/985002989.db2.gz DXJHTWFSRDBQMU-ACJLOTCBSA-N 1 2 350.422 2.816 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2conc2C2CC2)CC[N@H+]1Cc1ccccc1C#N ZINC001088849708 985003003 /nfs/dbraw/zinc/00/30/03/985003003.db2.gz DXJHTWFSRDBQMU-ACJLOTCBSA-N 1 2 350.422 2.816 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cc2F)[C@@H]1C ZINC001088868321 985165325 /nfs/dbraw/zinc/16/53/25/985165325.db2.gz WRNKVZULORABBN-ZYUBPSHWSA-N 1 2 350.409 2.635 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)[C@@H]1C ZINC001088868321 985165328 /nfs/dbraw/zinc/16/53/28/985165328.db2.gz WRNKVZULORABBN-ZYUBPSHWSA-N 1 2 350.409 2.635 20 30 FFEDLO C=CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001060800806 985207773 /nfs/dbraw/zinc/20/77/73/985207773.db2.gz DIGWGOSEDSMQCR-QBPKDAKJSA-N 1 2 358.486 2.661 20 30 FFEDLO C=CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001060800806 985207780 /nfs/dbraw/zinc/20/77/80/985207780.db2.gz DIGWGOSEDSMQCR-QBPKDAKJSA-N 1 2 358.486 2.661 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)no2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088892037 985346767 /nfs/dbraw/zinc/34/67/67/985346767.db2.gz DJDWGAOXCKNUBG-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)no2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088892037 985346775 /nfs/dbraw/zinc/34/67/75/985346775.db2.gz DJDWGAOXCKNUBG-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO Cc1c(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cnn1CCC#N ZINC000888372080 985546707 /nfs/dbraw/zinc/54/67/07/985546707.db2.gz LZXQJBABJUFPRB-UHFFFAOYSA-N 1 2 364.409 2.633 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccncc3Cl)[C@@H]2C)cn1 ZINC001088990789 985789112 /nfs/dbraw/zinc/78/91/12/985789112.db2.gz PVFBTXYYWOENIZ-ACJLOTCBSA-N 1 2 354.841 2.504 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccncc3Cl)[C@@H]2C)cn1 ZINC001088990789 985789118 /nfs/dbraw/zinc/78/91/18/985789118.db2.gz PVFBTXYYWOENIZ-ACJLOTCBSA-N 1 2 354.841 2.504 20 30 FFEDLO CC(=O)[C@](C#N)(CC[NH+]1CCN(c2ccnc(F)c2)CC1)c1ccccc1 ZINC000878678465 1015164256 /nfs/dbraw/zinc/16/42/56/1015164256.db2.gz IDJSUJCUYVNECV-OAQYLSRUSA-N 1 2 366.440 2.783 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)[C@@H]1C ZINC001089005378 985883467 /nfs/dbraw/zinc/88/34/67/985883467.db2.gz GFEYJNIUTRPLLO-UTKZUKDTSA-N 1 2 364.493 2.767 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2ccn(C(C)C)n2)[C@@H]1C ZINC001089005378 985883472 /nfs/dbraw/zinc/88/34/72/985883472.db2.gz GFEYJNIUTRPLLO-UTKZUKDTSA-N 1 2 364.493 2.767 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cc2cccc(OC)c2)[C@H]1C ZINC001089019546 985962331 /nfs/dbraw/zinc/96/23/31/985962331.db2.gz RFSHBXSMKSYKFJ-CJNGLKHVSA-N 1 2 367.287 2.725 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cc2cccc(OC)c2)[C@H]1C ZINC001089019546 985962340 /nfs/dbraw/zinc/96/23/40/985962340.db2.gz RFSHBXSMKSYKFJ-CJNGLKHVSA-N 1 2 367.287 2.725 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1cc(F)ccc1C#N)CC2 ZINC000992212953 986531685 /nfs/dbraw/zinc/53/16/85/986531685.db2.gz ZMYSAVZXKQFAAM-ZATISSGFSA-N 1 2 371.456 2.736 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1cc(F)ccc1C#N)CC2 ZINC000992212953 986531692 /nfs/dbraw/zinc/53/16/92/986531692.db2.gz ZMYSAVZXKQFAAM-ZATISSGFSA-N 1 2 371.456 2.736 20 30 FFEDLO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2c(Cl)[nH]nc2C2CC2)C[C@H]1C ZINC001106232522 987731263 /nfs/dbraw/zinc/73/12/63/987731263.db2.gz ASRBIJRLSGWWPN-BXKDBHETSA-N 1 2 357.285 2.991 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC1(CNc2cc[nH+]c(C)n2)CC1 ZINC001090005239 988022046 /nfs/dbraw/zinc/02/20/46/988022046.db2.gz KCSLPBIJGIAOAT-WMZOPIPTSA-N 1 2 358.486 2.855 20 30 FFEDLO COc1ccccc1[C@@H](C)N(C)C(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000762665911 988565598 /nfs/dbraw/zinc/56/55/98/988565598.db2.gz VDERZKYYTRDWKE-CYBMUJFWSA-N 1 2 359.401 2.691 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)N(C)[C@@H](C)c2ccccc2OC)cc1 ZINC000762693203 988586437 /nfs/dbraw/zinc/58/64/37/988586437.db2.gz YQDFFWFIQQVCQI-AWEZNQCLSA-N 1 2 371.437 2.560 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC000762719642 988606649 /nfs/dbraw/zinc/60/66/49/988606649.db2.gz VXRJISCSCRTTJJ-FQEVSTJZSA-N 1 2 361.445 2.653 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC000762719642 988606656 /nfs/dbraw/zinc/60/66/56/988606656.db2.gz VXRJISCSCRTTJJ-FQEVSTJZSA-N 1 2 361.445 2.653 20 30 FFEDLO CCCC[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001212209249 989106375 /nfs/dbraw/zinc/10/63/75/989106375.db2.gz UCDJLIWVNLBLIP-GDIGMMSISA-N 1 2 361.461 2.839 20 30 FFEDLO CCCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001212209249 989106381 /nfs/dbraw/zinc/10/63/81/989106381.db2.gz UCDJLIWVNLBLIP-GDIGMMSISA-N 1 2 361.461 2.839 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033161401 989135330 /nfs/dbraw/zinc/13/53/30/989135330.db2.gz RAMNFUWBGWQNIG-AYBZRNKSSA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033161401 989135333 /nfs/dbraw/zinc/13/53/33/989135333.db2.gz RAMNFUWBGWQNIG-AYBZRNKSSA-N 1 2 359.445 2.545 20 30 FFEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCO[C@H]1C1CC1 ZINC001008000181 1015451394 /nfs/dbraw/zinc/45/13/94/1015451394.db2.gz LPVCMLLGZDENQC-NJYVYQBISA-N 1 2 370.468 2.573 20 30 FFEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCO[C@H]1C1CC1 ZINC001008000181 1015451400 /nfs/dbraw/zinc/45/14/00/1015451400.db2.gz LPVCMLLGZDENQC-NJYVYQBISA-N 1 2 370.468 2.573 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3sccc3Cl)C[C@@H]2O)CC1 ZINC001083754221 990138630 /nfs/dbraw/zinc/13/86/30/990138630.db2.gz GSRQRDOHTMBJQG-CABCVRRESA-N 1 2 354.903 2.809 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3sccc3Cl)C[C@@H]2O)CC1 ZINC001083754221 990138634 /nfs/dbraw/zinc/13/86/34/990138634.db2.gz GSRQRDOHTMBJQG-CABCVRRESA-N 1 2 354.903 2.809 20 30 FFEDLO C=C(C)CCC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001078975829 990180347 /nfs/dbraw/zinc/18/03/47/990180347.db2.gz MONUDUWLHSBZOA-GVDBMIGSSA-N 1 2 358.486 2.709 20 30 FFEDLO C=C(C)CCC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001078975829 990180350 /nfs/dbraw/zinc/18/03/50/990180350.db2.gz MONUDUWLHSBZOA-GVDBMIGSSA-N 1 2 358.486 2.709 20 30 FFEDLO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1cccc(C(N)=O)c1 ZINC000918188834 990352642 /nfs/dbraw/zinc/35/26/42/990352642.db2.gz LWOUXZTXOGPXRV-UHFFFAOYSA-N 1 2 374.444 2.969 20 30 FFEDLO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1cccc(C(N)=O)c1 ZINC000918188834 990352646 /nfs/dbraw/zinc/35/26/46/990352646.db2.gz LWOUXZTXOGPXRV-UHFFFAOYSA-N 1 2 374.444 2.969 20 30 FFEDLO C=CC(C)(C)C(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001079021750 990757092 /nfs/dbraw/zinc/75/70/92/990757092.db2.gz QXALKMPOUZBDSO-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO C=CC(C)(C)C(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001079021750 990757096 /nfs/dbraw/zinc/75/70/96/990757096.db2.gz QXALKMPOUZBDSO-ARFHVFGLSA-N 1 2 358.486 2.565 20 30 FFEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1Cc2ccccc2C1 ZINC000920087606 990791008 /nfs/dbraw/zinc/79/10/08/990791008.db2.gz NILMKVMNZOSJQE-SFHVURJKSA-N 1 2 372.428 2.611 20 30 FFEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1Cc2ccccc2C1 ZINC000920087606 990791016 /nfs/dbraw/zinc/79/10/16/990791016.db2.gz NILMKVMNZOSJQE-SFHVURJKSA-N 1 2 372.428 2.611 20 30 FFEDLO CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212251225 990926988 /nfs/dbraw/zinc/92/69/88/990926988.db2.gz SPKWCLKLBUSSKF-GUDVDZBRSA-N 1 2 362.420 2.645 20 30 FFEDLO CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212251225 990926992 /nfs/dbraw/zinc/92/69/92/990926992.db2.gz SPKWCLKLBUSSKF-GUDVDZBRSA-N 1 2 362.420 2.645 20 30 FFEDLO Cc1nc(N[C@@H]2CCO[C@H]2C2CCN(C(=O)C#CC(C)(C)C)CC2)cc[nH+]1 ZINC001090284119 991188139 /nfs/dbraw/zinc/18/81/39/991188139.db2.gz RJPBODHALKNMAH-XLIONFOSSA-N 1 2 370.497 2.643 20 30 FFEDLO COc1ccccc1[C@@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000879628837 1015616815 /nfs/dbraw/zinc/61/68/15/1015616815.db2.gz BANUUGANYKZRHG-FQEVSTJZSA-N 1 2 365.433 2.969 20 30 FFEDLO COc1ccccc1[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000879628837 1015616819 /nfs/dbraw/zinc/61/68/19/1015616819.db2.gz BANUUGANYKZRHG-FQEVSTJZSA-N 1 2 365.433 2.969 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NC(=O)CCCCC(=O)c2ccc(OC)cc2)C1 ZINC000923565085 991259481 /nfs/dbraw/zinc/25/94/81/991259481.db2.gz COWUYSDUKMYIIH-SFHVURJKSA-N 1 2 356.466 2.652 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)CCCCC(=O)c2ccc(OC)cc2)C1 ZINC000923565085 991259489 /nfs/dbraw/zinc/25/94/89/991259489.db2.gz COWUYSDUKMYIIH-SFHVURJKSA-N 1 2 356.466 2.652 20 30 FFEDLO N#Cc1c(F)cccc1NC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001065038383 991748542 /nfs/dbraw/zinc/74/85/42/991748542.db2.gz MIWRSMCIAJDATL-BFHYXJOUSA-N 1 2 353.401 2.627 20 30 FFEDLO N#Cc1c(F)cccc1NC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001065038383 991748549 /nfs/dbraw/zinc/74/85/49/991748549.db2.gz MIWRSMCIAJDATL-BFHYXJOUSA-N 1 2 353.401 2.627 20 30 FFEDLO COCC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001484824720 991765554 /nfs/dbraw/zinc/76/55/54/991765554.db2.gz QJJPAHMKONXDFA-BDTNDASRSA-N 1 2 366.505 2.616 20 30 FFEDLO COCC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001484824720 991765563 /nfs/dbraw/zinc/76/55/63/991765563.db2.gz QJJPAHMKONXDFA-BDTNDASRSA-N 1 2 366.505 2.616 20 30 FFEDLO CCC(CC)n1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001079543605 992193822 /nfs/dbraw/zinc/19/38/22/992193822.db2.gz KCJWYQKXJQQONP-AUUYWEPGSA-N 1 2 368.485 2.694 20 30 FFEDLO CCC(CC)n1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001079543605 992193830 /nfs/dbraw/zinc/19/38/30/992193830.db2.gz KCJWYQKXJQQONP-AUUYWEPGSA-N 1 2 368.485 2.694 20 30 FFEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000182609962 992197325 /nfs/dbraw/zinc/19/73/25/992197325.db2.gz ATAVBIBPYWHNPZ-INIZCTEOSA-N 1 2 371.359 2.818 20 30 FFEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000182609962 992197331 /nfs/dbraw/zinc/19/73/31/992197331.db2.gz ATAVBIBPYWHNPZ-INIZCTEOSA-N 1 2 371.359 2.818 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001079648148 992278920 /nfs/dbraw/zinc/27/89/20/992278920.db2.gz IBXDXZBNHTYDIE-GCUJQHFUSA-N 1 2 351.372 2.535 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001079648148 992278930 /nfs/dbraw/zinc/27/89/30/992278930.db2.gz IBXDXZBNHTYDIE-GCUJQHFUSA-N 1 2 351.372 2.535 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ncn3cc(Cl)ccc23)C1 ZINC001079729732 992368658 /nfs/dbraw/zinc/36/86/58/992368658.db2.gz XEFZXBIOFIKCEJ-ZWNOBZJWSA-N 1 2 353.253 2.790 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ncn3cc(Cl)ccc23)C1 ZINC001079729732 992368661 /nfs/dbraw/zinc/36/86/61/992368661.db2.gz XEFZXBIOFIKCEJ-ZWNOBZJWSA-N 1 2 353.253 2.790 20 30 FFEDLO CCCn1nccc1C(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001079779759 992433730 /nfs/dbraw/zinc/43/37/30/992433730.db2.gz IARIRALPDUDZTM-RDTXWAMCSA-N 1 2 369.444 2.554 20 30 FFEDLO CCCn1nccc1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001079779759 992433734 /nfs/dbraw/zinc/43/37/34/992433734.db2.gz IARIRALPDUDZTM-RDTXWAMCSA-N 1 2 369.444 2.554 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 ZINC001080074224 992708327 /nfs/dbraw/zinc/70/83/27/992708327.db2.gz KXZODNXAHSUUPX-QSGSBWRWSA-N 1 2 355.265 2.833 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 ZINC001080074224 992708336 /nfs/dbraw/zinc/70/83/36/992708336.db2.gz KXZODNXAHSUUPX-QSGSBWRWSA-N 1 2 355.265 2.833 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001008848063 1015729696 /nfs/dbraw/zinc/72/96/96/1015729696.db2.gz WAPDJQFPHOSQGW-HBFSDRIKSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001008848063 1015729702 /nfs/dbraw/zinc/72/97/02/1015729702.db2.gz WAPDJQFPHOSQGW-HBFSDRIKSA-N 1 2 371.456 2.759 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)CCO3)C1 ZINC001080490637 993100246 /nfs/dbraw/zinc/10/02/46/993100246.db2.gz DCPCUAYCDPCKSE-IAQYHMDHSA-N 1 2 365.271 2.580 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)CCO3)C1 ZINC001080490637 993100250 /nfs/dbraw/zinc/10/02/50/993100250.db2.gz DCPCUAYCDPCKSE-IAQYHMDHSA-N 1 2 365.271 2.580 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)cs2)C[C@H]1C ZINC001080588812 993196241 /nfs/dbraw/zinc/19/62/41/993196241.db2.gz ZSVPVIWNINRBIR-VUNQQRPYSA-N 1 2 363.527 2.759 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2nc(C)cs2)C[C@H]1C ZINC001080588812 993196248 /nfs/dbraw/zinc/19/62/48/993196248.db2.gz ZSVPVIWNINRBIR-VUNQQRPYSA-N 1 2 363.527 2.759 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)c(C)o2)C[C@H]1C ZINC001080753148 993336230 /nfs/dbraw/zinc/33/62/30/993336230.db2.gz BIXFEHDSXBBYOG-CZUORRHYSA-N 1 2 370.453 2.502 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@H+](Cc2nc(C)c(C)o2)C[C@H]1C ZINC001080753148 993336235 /nfs/dbraw/zinc/33/62/35/993336235.db2.gz BIXFEHDSXBBYOG-CZUORRHYSA-N 1 2 370.453 2.502 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1cccc(C)c1 ZINC001081313527 993795971 /nfs/dbraw/zinc/79/59/71/993795971.db2.gz DLCYIWUCGJHLBI-WOJBJXKFSA-N 1 2 367.424 2.635 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1cccc(C)c1 ZINC001081313527 993795977 /nfs/dbraw/zinc/79/59/77/993795977.db2.gz DLCYIWUCGJHLBI-WOJBJXKFSA-N 1 2 367.424 2.635 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C=C1CCCCC1 ZINC001081418157 993826958 /nfs/dbraw/zinc/82/69/58/993826958.db2.gz IPNKCTQNGWQHQA-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C=C1CCCCC1 ZINC001081418157 993826964 /nfs/dbraw/zinc/82/69/64/993826964.db2.gz IPNKCTQNGWQHQA-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1CCCCCC1 ZINC001081432886 993833340 /nfs/dbraw/zinc/83/33/40/993833340.db2.gz PMGQZNRMJVKJRA-QZTJIDSGSA-N 1 2 361.511 2.906 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1CCCCCC1 ZINC001081432886 993833346 /nfs/dbraw/zinc/83/33/46/993833346.db2.gz PMGQZNRMJVKJRA-QZTJIDSGSA-N 1 2 361.511 2.906 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C(C)=C1CCCC1 ZINC001081516135 993866114 /nfs/dbraw/zinc/86/61/14/993866114.db2.gz PYKVSUCVJZRNPR-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C(C)=C1CCCC1 ZINC001081516135 993866121 /nfs/dbraw/zinc/86/61/21/993866121.db2.gz PYKVSUCVJZRNPR-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO C#CCC1(O)CC[NH+](Cc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC000880480720 1015847674 /nfs/dbraw/zinc/84/76/74/1015847674.db2.gz CXKFYJOBVIFHFB-ZDUSSCGKSA-N 1 2 370.522 2.749 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H](C)c1ccccc1 ZINC001082334626 994380813 /nfs/dbraw/zinc/38/08/13/994380813.db2.gz WAJQUIXPPVXCDE-STZQEDGTSA-N 1 2 362.473 2.657 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H](C)c1ccccc1 ZINC001082334626 994380818 /nfs/dbraw/zinc/38/08/18/994380818.db2.gz WAJQUIXPPVXCDE-STZQEDGTSA-N 1 2 362.473 2.657 20 30 FFEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000809733702 994584309 /nfs/dbraw/zinc/58/43/09/994584309.db2.gz DUXXTNPKXJPNKA-UHFFFAOYSA-N 1 2 364.445 2.665 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)CO2 ZINC001053918373 1015905910 /nfs/dbraw/zinc/90/59/10/1015905910.db2.gz KYYGFLGJIPKMBE-RRFJBIMHSA-N 1 2 362.420 2.604 20 30 FFEDLO C[C@H](COc1ccccc1)N[NH+]=Cc1c(Cl)nc(N)nc1N1CCCC1 ZINC000811667275 995211896 /nfs/dbraw/zinc/21/18/96/995211896.db2.gz RHZYQOJCUWPGMK-CYBMUJFWSA-N 1 2 374.876 2.703 20 30 FFEDLO C#CC[N@@H+](CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1)[C@@H]1CCc2ccccc21 ZINC000811733121 995230778 /nfs/dbraw/zinc/23/07/78/995230778.db2.gz HYHQXCIFAZPLDX-AABGKKOBSA-N 1 2 352.478 2.983 20 30 FFEDLO C#CC[N@H+](CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1)[C@@H]1CCc2ccccc21 ZINC000811733121 995230785 /nfs/dbraw/zinc/23/07/85/995230785.db2.gz HYHQXCIFAZPLDX-AABGKKOBSA-N 1 2 352.478 2.983 20 30 FFEDLO C=C(C)Cn1c(-c2ccncc2)nn(CN2CCn3c[nH+]cc3C2)c1=S ZINC000811787975 995260597 /nfs/dbraw/zinc/26/05/97/995260597.db2.gz ZEZFJLXAMDUKOX-UHFFFAOYSA-N 1 2 367.482 2.722 20 30 FFEDLO CC(=[NH+]NC(=S)NCc1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000812384455 995424717 /nfs/dbraw/zinc/42/47/17/995424717.db2.gz NYSKUTHNGZYULD-UHFFFAOYSA-N 1 2 368.506 2.912 20 30 FFEDLO CC1(C)CC(C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(F)c(C#N)c4)C[C@@H]32)C1 ZINC001083069875 996025667 /nfs/dbraw/zinc/02/56/67/996025667.db2.gz WLKZOOMMDRTXMI-RBUKOAKNSA-N 1 2 371.456 2.545 20 30 FFEDLO CC1(C)CC(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@@H]32)C1 ZINC001083069875 996025672 /nfs/dbraw/zinc/02/56/72/996025672.db2.gz WLKZOOMMDRTXMI-RBUKOAKNSA-N 1 2 371.456 2.545 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)C4=CCCCCC4)[C@H]3C2)s1 ZINC001083060912 996053924 /nfs/dbraw/zinc/05/39/24/996053924.db2.gz BATARUHJYVWAEK-RBUKOAKNSA-N 1 2 371.506 2.922 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C4=CCCCCC4)[C@H]3C2)s1 ZINC001083060912 996053930 /nfs/dbraw/zinc/05/39/30/996053930.db2.gz BATARUHJYVWAEK-RBUKOAKNSA-N 1 2 371.506 2.922 20 30 FFEDLO C=CCn1cccc1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC001083106131 996089312 /nfs/dbraw/zinc/08/93/12/996089312.db2.gz MLURPDZWYZTOSV-VQTJNVASSA-N 1 2 369.440 2.539 20 30 FFEDLO C=CCn1cccc1C(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC001083106131 996089316 /nfs/dbraw/zinc/08/93/16/996089316.db2.gz MLURPDZWYZTOSV-VQTJNVASSA-N 1 2 369.440 2.539 20 30 FFEDLO CC[C@@H](OC)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084225433 996374532 /nfs/dbraw/zinc/37/45/32/996374532.db2.gz KPPRZCJOZHTVKX-BHIYHBOVSA-N 1 2 360.885 2.649 20 30 FFEDLO CC[C@@H](OC)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084225433 996374535 /nfs/dbraw/zinc/37/45/35/996374535.db2.gz KPPRZCJOZHTVKX-BHIYHBOVSA-N 1 2 360.885 2.649 20 30 FFEDLO O=C(C#CC1CC1)N1C[C@H]2CC[N@H+](Cc3coc(-c4ccccc4)n3)C[C@H]21 ZINC001084329471 996458718 /nfs/dbraw/zinc/45/87/18/996458718.db2.gz ZRCDAPWLWJBKBD-UYAOXDASSA-N 1 2 361.445 2.788 20 30 FFEDLO O=C(C#CC1CC1)N1C[C@H]2CC[N@@H+](Cc3coc(-c4ccccc4)n3)C[C@H]21 ZINC001084329471 996458721 /nfs/dbraw/zinc/45/87/21/996458721.db2.gz ZRCDAPWLWJBKBD-UYAOXDASSA-N 1 2 361.445 2.788 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c(CC)noc3CC)[C@@H]2C1 ZINC001084414760 996514282 /nfs/dbraw/zinc/51/42/82/996514282.db2.gz UFBJVHCYYRJLIM-CZUORRHYSA-N 1 2 351.878 2.627 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c(CC)noc3CC)[C@@H]2C1 ZINC001084414760 996514284 /nfs/dbraw/zinc/51/42/84/996514284.db2.gz UFBJVHCYYRJLIM-CZUORRHYSA-N 1 2 351.878 2.627 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)cs3)C[C@H]21 ZINC001084408896 996552948 /nfs/dbraw/zinc/55/29/48/996552948.db2.gz BNOWWRIJXXAWMV-NVXWUHKLSA-N 1 2 356.495 2.786 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)cs3)C[C@H]21 ZINC001084408896 996552953 /nfs/dbraw/zinc/55/29/53/996552953.db2.gz BNOWWRIJXXAWMV-NVXWUHKLSA-N 1 2 356.495 2.786 20 30 FFEDLO CCc1cccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)n1 ZINC001084412689 996557275 /nfs/dbraw/zinc/55/72/75/996557275.db2.gz UDMYDGXRXSHEBG-WIYYLYMNSA-N 1 2 360.461 2.862 20 30 FFEDLO CCc1cccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)n1 ZINC001084412689 996557278 /nfs/dbraw/zinc/55/72/78/996557278.db2.gz UDMYDGXRXSHEBG-WIYYLYMNSA-N 1 2 360.461 2.862 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cccn4nccc34)[C@@H]2C1 ZINC001084484777 996604078 /nfs/dbraw/zinc/60/40/78/996604078.db2.gz GYTYRYFEFYUGNA-WIYYLYMNSA-N 1 2 371.444 2.552 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccn4nccc34)[C@@H]2C1 ZINC001084484777 996604079 /nfs/dbraw/zinc/60/40/79/996604079.db2.gz GYTYRYFEFYUGNA-WIYYLYMNSA-N 1 2 371.444 2.552 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C)co3)[C@@H]2C1 ZINC001084594691 996713520 /nfs/dbraw/zinc/71/35/20/996713520.db2.gz SSMJXOXIDSENFP-SJLPKXTDSA-N 1 2 365.433 2.815 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C)co3)[C@@H]2C1 ZINC001084594691 996713526 /nfs/dbraw/zinc/71/35/26/996713526.db2.gz SSMJXOXIDSENFP-SJLPKXTDSA-N 1 2 365.433 2.815 20 30 FFEDLO [NH2+]=C(Nc1ccn(Cc2ccncc2)c(=O)c1)c1ccc2ccccc2n1 ZINC001171051982 996877891 /nfs/dbraw/zinc/87/78/91/996877891.db2.gz VNKRYWOAXZWXRP-UHFFFAOYSA-N 1 2 355.401 2.877 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)c(C)[nH]1 ZINC001084687949 996883308 /nfs/dbraw/zinc/88/33/08/996883308.db2.gz BMNDTIJPOYFLCV-YLJYHZDGSA-N 1 2 366.440 2.989 20 30 FFEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)c(C)[nH]1 ZINC001084687949 996883318 /nfs/dbraw/zinc/88/33/18/996883318.db2.gz BMNDTIJPOYFLCV-YLJYHZDGSA-N 1 2 366.440 2.989 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cc(C5CC5)no4)[C@@H]3C2)s1 ZINC001084693538 996936599 /nfs/dbraw/zinc/93/65/99/996936599.db2.gz ICHPNCZOURPCLR-CXAGYDPISA-N 1 2 368.462 2.832 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C5CC5)no4)[C@@H]3C2)s1 ZINC001084693538 996936616 /nfs/dbraw/zinc/93/66/16/996936616.db2.gz ICHPNCZOURPCLR-CXAGYDPISA-N 1 2 368.462 2.832 20 30 FFEDLO CC(C)n1ccc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)n1 ZINC001084695756 996951286 /nfs/dbraw/zinc/95/12/86/996951286.db2.gz IHBYYDUHICFAHT-TZIWHRDSSA-N 1 2 362.477 2.662 20 30 FFEDLO CC(C)n1ccc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)n1 ZINC001084695756 996951292 /nfs/dbraw/zinc/95/12/92/996951292.db2.gz IHBYYDUHICFAHT-TZIWHRDSSA-N 1 2 362.477 2.662 20 30 FFEDLO C#CCOc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccns4)C[C@H]32)cc1 ZINC001084708555 997005680 /nfs/dbraw/zinc/00/56/80/997005680.db2.gz JJQVJLHBGWHRJV-VQIMIIECSA-N 1 2 367.474 2.502 20 30 FFEDLO C#CCOc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccns4)C[C@H]32)cc1 ZINC001084708555 997005690 /nfs/dbraw/zinc/00/56/90/997005690.db2.gz JJQVJLHBGWHRJV-VQIMIIECSA-N 1 2 367.474 2.502 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4cn[nH]c4)cc3)[C@@H]2C1 ZINC001084718444 997045815 /nfs/dbraw/zinc/04/58/15/997045815.db2.gz QYTBSCPIDOJYRD-SJLPKXTDSA-N 1 2 356.857 2.976 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4cn[nH]c4)cc3)[C@@H]2C1 ZINC001084718444 997045831 /nfs/dbraw/zinc/04/58/31/997045831.db2.gz QYTBSCPIDOJYRD-SJLPKXTDSA-N 1 2 356.857 2.976 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cccc(F)c4F)C[C@H]32)cn1 ZINC001084784400 997333660 /nfs/dbraw/zinc/33/36/60/997333660.db2.gz OEOBHYYKQXAVNR-DNVCBOLYSA-N 1 2 367.399 2.688 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(F)c4F)C[C@H]32)cn1 ZINC001084784400 997333672 /nfs/dbraw/zinc/33/36/72/997333672.db2.gz OEOBHYYKQXAVNR-DNVCBOLYSA-N 1 2 367.399 2.688 20 30 FFEDLO CCc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)no1 ZINC001084783478 997354096 /nfs/dbraw/zinc/35/40/96/997354096.db2.gz SNFYYUIXFZQLEY-AUUYWEPGSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)no1 ZINC001084783478 997354111 /nfs/dbraw/zinc/35/41/11/997354111.db2.gz SNFYYUIXFZQLEY-AUUYWEPGSA-N 1 2 368.412 2.594 20 30 FFEDLO COc1ccsc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084788884 997367699 /nfs/dbraw/zinc/36/76/99/997367699.db2.gz HOZVLXKEPQFJHE-QZTJIDSGSA-N 1 2 366.486 2.955 20 30 FFEDLO COc1ccsc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084788884 997367714 /nfs/dbraw/zinc/36/77/14/997367714.db2.gz HOZVLXKEPQFJHE-QZTJIDSGSA-N 1 2 366.486 2.955 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(c4ccccc4)CCCO3)[C@@H]2C1 ZINC001084797421 997401871 /nfs/dbraw/zinc/40/18/71/997401871.db2.gz VYMRWWFMXWMEIO-POAQFYNOSA-N 1 2 360.885 2.978 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(c4ccccc4)CCCO3)[C@@H]2C1 ZINC001084797421 997401876 /nfs/dbraw/zinc/40/18/76/997401876.db2.gz VYMRWWFMXWMEIO-POAQFYNOSA-N 1 2 360.885 2.978 20 30 FFEDLO N#Cc1c(NC(=O)[C@@H]2[C@@H](O)CC[N@@H+]2Cc2ccccc2)sc2c1CCC2 ZINC001143659420 997491370 /nfs/dbraw/zinc/49/13/70/997491370.db2.gz WGBKXSXCGADZFD-WMZOPIPTSA-N 1 2 367.474 2.682 20 30 FFEDLO N#Cc1c(NC(=O)[C@@H]2[C@@H](O)CC[N@H+]2Cc2ccccc2)sc2c1CCC2 ZINC001143659420 997491379 /nfs/dbraw/zinc/49/13/79/997491379.db2.gz WGBKXSXCGADZFD-WMZOPIPTSA-N 1 2 367.474 2.682 20 30 FFEDLO CCc1noc(C)c1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084826476 997564465 /nfs/dbraw/zinc/56/44/65/997564465.db2.gz FFTQQERFQBEMFM-CXAGYDPISA-N 1 2 370.478 2.825 20 30 FFEDLO CCc1noc(C)c1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084826476 997564489 /nfs/dbraw/zinc/56/44/89/997564489.db2.gz FFTQQERFQBEMFM-CXAGYDPISA-N 1 2 370.478 2.825 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(C)OCCc4ccccc43)[C@@H]2C1 ZINC001084863481 997697074 /nfs/dbraw/zinc/69/70/74/997697074.db2.gz BFMOPXFLHPNETD-YVWKXTFCSA-N 1 2 360.885 2.760 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(C)OCCc4ccccc43)[C@@H]2C1 ZINC001084863481 997697075 /nfs/dbraw/zinc/69/70/75/997697075.db2.gz BFMOPXFLHPNETD-YVWKXTFCSA-N 1 2 360.885 2.760 20 30 FFEDLO C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21)C1CCOCC1 ZINC001084872952 997757917 /nfs/dbraw/zinc/75/79/17/997757917.db2.gz JHQKJLYFQAJEIB-ZLGUVYLKSA-N 1 2 367.493 2.654 20 30 FFEDLO C[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21)C1CCOCC1 ZINC001084872952 997757934 /nfs/dbraw/zinc/75/79/34/997757934.db2.gz JHQKJLYFQAJEIB-ZLGUVYLKSA-N 1 2 367.493 2.654 20 30 FFEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000844307477 997786785 /nfs/dbraw/zinc/78/67/85/997786785.db2.gz ROACVNGYZAJERI-OAHLLOKOSA-N 1 2 360.414 2.908 20 30 FFEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000844307477 997786794 /nfs/dbraw/zinc/78/67/94/997786794.db2.gz ROACVNGYZAJERI-OAHLLOKOSA-N 1 2 360.414 2.908 20 30 FFEDLO Cc1cccc(S(=O)(=O)CCC[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000844370785 997813486 /nfs/dbraw/zinc/81/34/86/997813486.db2.gz JLEHMVBQJGQPAL-FQEVSTJZSA-N 1 2 372.490 2.696 20 30 FFEDLO Cc1cccc(S(=O)(=O)CCC[N@H+](C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000844370785 997813494 /nfs/dbraw/zinc/81/34/94/997813494.db2.gz JLEHMVBQJGQPAL-FQEVSTJZSA-N 1 2 372.490 2.696 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001090987056 998015567 /nfs/dbraw/zinc/01/55/67/998015567.db2.gz OAUGWDKFQHVYPS-QWQRMKEZSA-N 1 2 358.486 2.514 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ncccc3C)C[C@@H]21 ZINC001084915464 998071589 /nfs/dbraw/zinc/07/15/89/998071589.db2.gz BFQNQDWGPWKTMZ-CABCVRRESA-N 1 2 364.287 2.835 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ncccc3C)C[C@@H]21 ZINC001084915464 998071603 /nfs/dbraw/zinc/07/16/03/998071603.db2.gz BFQNQDWGPWKTMZ-CABCVRRESA-N 1 2 364.287 2.835 20 30 FFEDLO Cc1nc(C(=O)N2CC[C@H]3CC[N@H+](Cc4cc(F)ccc4C#N)[C@H]3C2)co1 ZINC001084925612 998113857 /nfs/dbraw/zinc/11/38/57/998113857.db2.gz KHYKHKQNQOKMNI-KUHUBIRLSA-N 1 2 368.412 2.730 20 30 FFEDLO Cc1nc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cc(F)ccc4C#N)[C@H]3C2)co1 ZINC001084925612 998113868 /nfs/dbraw/zinc/11/38/68/998113868.db2.gz KHYKHKQNQOKMNI-KUHUBIRLSA-N 1 2 368.412 2.730 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3c(C)ccn3C)C[C@@H]21 ZINC001084928637 998149653 /nfs/dbraw/zinc/14/96/53/998149653.db2.gz XADIBHSHRWOVCI-CABCVRRESA-N 1 2 366.303 2.779 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(C)ccn3C)C[C@@H]21 ZINC001084928637 998149657 /nfs/dbraw/zinc/14/96/57/998149657.db2.gz XADIBHSHRWOVCI-CABCVRRESA-N 1 2 366.303 2.779 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC3(F)F)C[C@@H]21 ZINC001084935766 998187487 /nfs/dbraw/zinc/18/74/87/998187487.db2.gz GBYDVKOIDVKQSO-JLZZUVOBSA-N 1 2 363.383 2.775 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC3(F)F)C[C@@H]21 ZINC001084935766 998187490 /nfs/dbraw/zinc/18/74/90/998187490.db2.gz GBYDVKOIDVKQSO-JLZZUVOBSA-N 1 2 363.383 2.775 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(OCc2cn3ccccc3n2)c1 ZINC000732074753 998445392 /nfs/dbraw/zinc/44/53/92/998445392.db2.gz TWDAAPDGUZFBFW-FQEVSTJZSA-N 1 2 374.444 2.949 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(OCc2cn3ccccc3n2)c1 ZINC000732074753 998445403 /nfs/dbraw/zinc/44/54/03/998445403.db2.gz TWDAAPDGUZFBFW-FQEVSTJZSA-N 1 2 374.444 2.949 20 30 FFEDLO CCC[C@@H]1C[C@H]1C(=O)NC[C@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108198240 999128240 /nfs/dbraw/zinc/12/82/40/999128240.db2.gz XDIKWCNGYHMHQP-SFHLNBCPSA-N 1 2 355.482 2.702 20 30 FFEDLO CCC[C@@H]1C[C@H]1C(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108198240 999128242 /nfs/dbraw/zinc/12/82/42/999128242.db2.gz XDIKWCNGYHMHQP-SFHLNBCPSA-N 1 2 355.482 2.702 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1nc(C)[nH+]c(C)c1C ZINC001066196731 999141914 /nfs/dbraw/zinc/14/19/14/999141914.db2.gz YAWSEOGCTRPZQJ-XWSJACJDSA-N 1 2 370.497 2.563 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1nc(C)[nH+]c(C)c1C ZINC001066196730 999141991 /nfs/dbraw/zinc/14/19/91/999141991.db2.gz YAWSEOGCTRPZQJ-MKXGPGLRSA-N 1 2 370.497 2.563 20 30 FFEDLO Cc1cc(NC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC001054456158 1016341510 /nfs/dbraw/zinc/34/15/10/1016341510.db2.gz UZKUZJMIPHUEIZ-UKRRQHHQSA-N 1 2 366.469 2.928 20 30 FFEDLO N#Cc1ccc(F)c(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741381752 999725645 /nfs/dbraw/zinc/72/56/45/999725645.db2.gz DQNJZASOBDUBIN-LJQANCHMSA-N 1 2 354.381 2.642 20 30 FFEDLO N#Cc1ccc(F)c(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741381752 999725647 /nfs/dbraw/zinc/72/56/47/999725647.db2.gz DQNJZASOBDUBIN-LJQANCHMSA-N 1 2 354.381 2.642 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC001108268228 999860713 /nfs/dbraw/zinc/86/07/13/999860713.db2.gz WBOGUWJSVBELQN-VWPQPMDRSA-N 1 2 354.494 2.637 20 30 FFEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC001108268228 999860716 /nfs/dbraw/zinc/86/07/16/999860716.db2.gz WBOGUWJSVBELQN-VWPQPMDRSA-N 1 2 354.494 2.637 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(C(F)F)n1)C2 ZINC001095469487 1016372574 /nfs/dbraw/zinc/37/25/74/1016372574.db2.gz NRRZNZDWSYXHFU-PVAVHDDUSA-N 1 2 371.391 2.685 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(C(F)F)n1)C2 ZINC001095469487 1016372583 /nfs/dbraw/zinc/37/25/83/1016372583.db2.gz NRRZNZDWSYXHFU-PVAVHDDUSA-N 1 2 371.391 2.685 20 30 FFEDLO COC(=O)Cc1cc(Cl)nc(NCCc2cn3ccccc3[nH+]2)c1C#N ZINC001169003052 1000014771 /nfs/dbraw/zinc/01/47/71/1000014771.db2.gz WUMROGXSRRQDTI-UHFFFAOYSA-N 1 2 369.812 2.624 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C)cc1C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766612796 1000029337 /nfs/dbraw/zinc/02/93/37/1000029337.db2.gz QGQGKGPPEVDYDX-UHFFFAOYSA-N 1 2 365.477 2.932 20 30 FFEDLO COCC[N@H+](Cc1ccc(C)cc1C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766612796 1000029338 /nfs/dbraw/zinc/02/93/38/1000029338.db2.gz QGQGKGPPEVDYDX-UHFFFAOYSA-N 1 2 365.477 2.932 20 30 FFEDLO N#Cc1ccc(N2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)c(Cl)c1 ZINC000767112743 1000099027 /nfs/dbraw/zinc/09/90/27/1000099027.db2.gz WQSXGIKSDYSCQS-UHFFFAOYSA-N 1 2 365.824 2.822 20 30 FFEDLO CCO[C@H](CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001109012517 1000150336 /nfs/dbraw/zinc/15/03/36/1000150336.db2.gz YQBOFFFWIDQDQK-FUMNGEBKSA-N 1 2 358.457 2.714 20 30 FFEDLO CCO[C@H](CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001109012517 1000150337 /nfs/dbraw/zinc/15/03/37/1000150337.db2.gz YQBOFFFWIDQDQK-FUMNGEBKSA-N 1 2 358.457 2.714 20 30 FFEDLO COCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109049244 1000155965 /nfs/dbraw/zinc/15/59/65/1000155965.db2.gz XVBGXOBULYLPED-NEWSRXKRSA-N 1 2 359.445 2.736 20 30 FFEDLO COCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109049244 1000155967 /nfs/dbraw/zinc/15/59/67/1000155967.db2.gz XVBGXOBULYLPED-NEWSRXKRSA-N 1 2 359.445 2.736 20 30 FFEDLO CCCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109035820 1000156707 /nfs/dbraw/zinc/15/67/07/1000156707.db2.gz CPNSXJNMMVJMGM-XCLNPWKQSA-N 1 2 355.482 2.985 20 30 FFEDLO CCCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109035820 1000156708 /nfs/dbraw/zinc/15/67/08/1000156708.db2.gz CPNSXJNMMVJMGM-XCLNPWKQSA-N 1 2 355.482 2.985 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC2CC2)C3)c1 ZINC001109104576 1000166114 /nfs/dbraw/zinc/16/61/14/1000166114.db2.gz DUTPZZTUJAUFTR-AABGKKOBSA-N 1 2 365.477 2.518 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC2CC2)C3)c1 ZINC001109104576 1000166116 /nfs/dbraw/zinc/16/61/16/1000166116.db2.gz DUTPZZTUJAUFTR-AABGKKOBSA-N 1 2 365.477 2.518 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Br)cc1 ZINC001109089180 1000166578 /nfs/dbraw/zinc/16/65/78/1000166578.db2.gz YOMHHZDPICLTNQ-MWNCTCPHSA-N 1 2 362.271 2.830 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Br)cc1 ZINC001109089180 1000166581 /nfs/dbraw/zinc/16/65/81/1000166581.db2.gz YOMHHZDPICLTNQ-MWNCTCPHSA-N 1 2 362.271 2.830 20 30 FFEDLO C=C(CO)C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC001144711553 1000202687 /nfs/dbraw/zinc/20/26/87/1000202687.db2.gz OAGVFBYVAFIIAX-UHFFFAOYSA-N 1 2 351.809 2.643 20 30 FFEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(-c2ccccc2)o1 ZINC001109259686 1000204532 /nfs/dbraw/zinc/20/45/32/1000204532.db2.gz NSSPJRXVTIBAGF-QYZOEREBSA-N 1 2 361.445 2.977 20 30 FFEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(-c2ccccc2)o1 ZINC001109259686 1000204535 /nfs/dbraw/zinc/20/45/35/1000204535.db2.gz NSSPJRXVTIBAGF-QYZOEREBSA-N 1 2 361.445 2.977 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nsc2ccccc12 ZINC001109270673 1000212428 /nfs/dbraw/zinc/21/24/28/1000212428.db2.gz QPOBLKBGENKDTM-HFTRVMKXSA-N 1 2 369.490 2.558 20 30 FFEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nsc2ccccc12 ZINC001109270673 1000212435 /nfs/dbraw/zinc/21/24/35/1000212435.db2.gz QPOBLKBGENKDTM-HFTRVMKXSA-N 1 2 369.490 2.558 20 30 FFEDLO Cc1nc(N2CC[C@@H]3CCN(C(=O)C#CC(C)C)C[C@@H]32)c2c([nH+]1)CCCC2 ZINC001091212876 1000262502 /nfs/dbraw/zinc/26/25/02/1000262502.db2.gz LFMNBUQIUQUACV-PXNSSMCTSA-N 1 2 366.509 2.750 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnnn1-c1ccccc1 ZINC001109353154 1000297681 /nfs/dbraw/zinc/29/76/81/1000297681.db2.gz LBAGNTYEBQNAID-HOJAQTOUSA-N 1 2 365.481 2.845 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnnn1-c1ccccc1 ZINC001109353154 1000297686 /nfs/dbraw/zinc/29/76/86/1000297686.db2.gz LBAGNTYEBQNAID-HOJAQTOUSA-N 1 2 365.481 2.845 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(OC)ns2)CCC1 ZINC001109391904 1000370295 /nfs/dbraw/zinc/37/02/95/1000370295.db2.gz GXHJHOVLZLEBEH-KBMXLJTQSA-N 1 2 359.495 2.567 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(OC)ns2)CCC1 ZINC001109391904 1000370300 /nfs/dbraw/zinc/37/03/00/1000370300.db2.gz GXHJHOVLZLEBEH-KBMXLJTQSA-N 1 2 359.495 2.567 20 30 FFEDLO Cc1ccc(C#N)c(N[C@@H]2CCCC[C@H]2NC(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC001091296333 1000382001 /nfs/dbraw/zinc/38/20/01/1000382001.db2.gz YSBPALLWXXMAMA-KBAYOESNSA-N 1 2 366.469 2.949 20 30 FFEDLO C=C[C@@H]1C[C@@]1([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1)C(=O)OCC ZINC001171250652 1000422054 /nfs/dbraw/zinc/42/20/54/1000422054.db2.gz YCBRPIDIGLYWLZ-IRXNTBRBSA-N 1 2 368.477 2.920 20 30 FFEDLO C=CCn1ccc2c1nc[nH+]c2Nc1cc(=O)n(CCC)c(=O)n1CCC ZINC001170006701 1000525195 /nfs/dbraw/zinc/52/51/95/1000525195.db2.gz ARIYJVIWWNIVBB-UHFFFAOYSA-N 1 2 368.441 2.504 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3cscc3s1)C2 ZINC001109534810 1000616702 /nfs/dbraw/zinc/61/67/02/1000616702.db2.gz SJXCVSAQLISMIO-ILXRZTDVSA-N 1 2 360.504 2.948 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3cscc3s1)C2 ZINC001109534810 1000616706 /nfs/dbraw/zinc/61/67/06/1000616706.db2.gz SJXCVSAQLISMIO-ILXRZTDVSA-N 1 2 360.504 2.948 20 30 FFEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000769963446 1000636715 /nfs/dbraw/zinc/63/67/15/1000636715.db2.gz TUULVBBREDHZAJ-AWEZNQCLSA-N 1 2 353.397 2.970 20 30 FFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000769963446 1000636718 /nfs/dbraw/zinc/63/67/18/1000636718.db2.gz TUULVBBREDHZAJ-AWEZNQCLSA-N 1 2 353.397 2.970 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@H+]([C@H](C)c2ncc(C)o2)CC1 ZINC001000696707 1016437690 /nfs/dbraw/zinc/43/76/90/1016437690.db2.gz SEUJHZZEJOKWPZ-NXHRZFHOSA-N 1 2 359.470 2.774 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@H](C)c2ncc(C)o2)CC1 ZINC001000696707 1016437695 /nfs/dbraw/zinc/43/76/95/1016437695.db2.gz SEUJHZZEJOKWPZ-NXHRZFHOSA-N 1 2 359.470 2.774 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)c1ccco1 ZINC001109657944 1000797476 /nfs/dbraw/zinc/79/74/76/1000797476.db2.gz LHAYTDLYHAAZSH-YVSFHVDLSA-N 1 2 359.470 2.535 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)c1ccco1 ZINC001109657944 1000797485 /nfs/dbraw/zinc/79/74/85/1000797485.db2.gz LHAYTDLYHAAZSH-YVSFHVDLSA-N 1 2 359.470 2.535 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccc(C)cc1 ZINC001109659009 1000799194 /nfs/dbraw/zinc/79/91/94/1000799194.db2.gz OHSUDTPSKAJHPM-AABGKKOBSA-N 1 2 369.509 2.689 20 30 FFEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccc(C)cc1 ZINC001109659009 1000799199 /nfs/dbraw/zinc/79/91/99/1000799199.db2.gz OHSUDTPSKAJHPM-AABGKKOBSA-N 1 2 369.509 2.689 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109692450 1000862997 /nfs/dbraw/zinc/86/29/97/1000862997.db2.gz XCCDTLYKMHMVMG-GTAWCEEGSA-N 1 2 373.472 2.980 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109692450 1000863002 /nfs/dbraw/zinc/86/30/02/1000863002.db2.gz XCCDTLYKMHMVMG-GTAWCEEGSA-N 1 2 373.472 2.980 20 30 FFEDLO N#CCn1c(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)nc2ccccc2c1=O ZINC000770687242 1000878064 /nfs/dbraw/zinc/87/80/64/1000878064.db2.gz DEUJEBNIAJYXHE-QFIPXVFZSA-N 1 2 372.428 2.551 20 30 FFEDLO N#CCn1c(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)nc2ccccc2c1=O ZINC000770687242 1000878071 /nfs/dbraw/zinc/87/80/71/1000878071.db2.gz DEUJEBNIAJYXHE-QFIPXVFZSA-N 1 2 372.428 2.551 20 30 FFEDLO C=CCCCC(=O)NC[C@H]1CC[C@@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001091634695 1000910546 /nfs/dbraw/zinc/91/05/46/1000910546.db2.gz JUZMIIZVZMNUOW-JKSUJKDBSA-N 1 2 357.502 2.518 20 30 FFEDLO C=CCCCC(=O)NC[C@H]1CC[C@@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001091634695 1000910551 /nfs/dbraw/zinc/91/05/51/1000910551.db2.gz JUZMIIZVZMNUOW-JKSUJKDBSA-N 1 2 357.502 2.518 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091637738 1000917525 /nfs/dbraw/zinc/91/75/25/1000917525.db2.gz BIYFTEHAHDJGIM-KSMMKXTCSA-N 1 2 356.474 2.662 20 30 FFEDLO CC(C)(C)c1cc(C[N@@H+]2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)no1 ZINC001091659663 1000972683 /nfs/dbraw/zinc/97/26/83/1000972683.db2.gz QTLYVNQKTWCIBY-IERDGZPVSA-N 1 2 355.482 2.666 20 30 FFEDLO CC(C)(C)c1cc(C[N@H+]2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)no1 ZINC001091659663 1000972685 /nfs/dbraw/zinc/97/26/85/1000972685.db2.gz QTLYVNQKTWCIBY-IERDGZPVSA-N 1 2 355.482 2.666 20 30 FFEDLO Cn1ncc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C1CC1 ZINC000771211620 1001052231 /nfs/dbraw/zinc/05/22/31/1001052231.db2.gz WSNSEPLBMNMWLJ-UHFFFAOYSA-N 1 2 364.453 2.519 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3ccnc3CC)C[C@]2(C)C1 ZINC001091684701 1001054845 /nfs/dbraw/zinc/05/48/45/1001054845.db2.gz LLRMUFQGMAZBOY-MDZRGWNJSA-N 1 2 364.921 2.929 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3ccnc3CC)C[C@]2(C)C1 ZINC001091684701 1001054849 /nfs/dbraw/zinc/05/48/49/1001054849.db2.gz LLRMUFQGMAZBOY-MDZRGWNJSA-N 1 2 364.921 2.929 20 30 FFEDLO C#CCOCCC(=O)N1CCC[C@@H](C)[C@H]1CCCNc1cc[nH+]c(C)n1 ZINC001091705370 1001112245 /nfs/dbraw/zinc/11/22/45/1001112245.db2.gz VDDYCIZVXMTSJP-SJLPKXTDSA-N 1 2 358.486 2.644 20 30 FFEDLO C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1CCCNc1ccc(C#N)nc1 ZINC001091706208 1001114122 /nfs/dbraw/zinc/11/41/22/1001114122.db2.gz CKKBZTGTWCEGLQ-CRAIPNDOSA-N 1 2 366.469 2.738 20 30 FFEDLO COC[C@@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109911909 1001150494 /nfs/dbraw/zinc/15/04/94/1001150494.db2.gz NDPQGUFZUQMWNM-BIGGFVEDSA-N 1 2 359.445 2.591 20 30 FFEDLO COC[C@@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109911909 1001150498 /nfs/dbraw/zinc/15/04/98/1001150498.db2.gz NDPQGUFZUQMWNM-BIGGFVEDSA-N 1 2 359.445 2.591 20 30 FFEDLO COCCC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109941254 1001179300 /nfs/dbraw/zinc/17/93/00/1001179300.db2.gz QPULKBJPDBRVEI-JBCDFXQESA-N 1 2 373.472 2.982 20 30 FFEDLO COCCC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109941254 1001179304 /nfs/dbraw/zinc/17/93/04/1001179304.db2.gz QPULKBJPDBRVEI-JBCDFXQESA-N 1 2 373.472 2.982 20 30 FFEDLO C=C[C@@H]1CCCC[N@H+]1CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000785997492 1001515478 /nfs/dbraw/zinc/51/54/78/1001515478.db2.gz PTZWNVSZYCXTOC-APWZRJJASA-N 1 2 369.465 2.898 20 30 FFEDLO C=C[C@@H]1CCCC[N@@H+]1CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000785997492 1001515480 /nfs/dbraw/zinc/51/54/80/1001515480.db2.gz PTZWNVSZYCXTOC-APWZRJJASA-N 1 2 369.465 2.898 20 30 FFEDLO COc1ccc(CNC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1C#N ZINC000746722940 1001741901 /nfs/dbraw/zinc/74/19/01/1001741901.db2.gz OZBVEBMESXDTIC-UHFFFAOYSA-N 1 2 354.410 2.587 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CCN1c1cccc(F)c1C#N ZINC001091799051 1001845039 /nfs/dbraw/zinc/84/50/39/1001845039.db2.gz ZTUVPYXSISJGLK-ZWKOTPCHSA-N 1 2 369.444 2.537 20 30 FFEDLO C#CCCCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)[C@@H]1CC ZINC001091778424 1001898586 /nfs/dbraw/zinc/89/85/86/1001898586.db2.gz YQBMLOUZWGMATA-RBUKOAKNSA-N 1 2 354.498 2.941 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3cc(=O)c4ccccc4[nH]3)C[C@]2(C)C1 ZINC001091831061 1001916492 /nfs/dbraw/zinc/91/64/92/1001916492.db2.gz GYCSWLLDZUUNMK-VLIAUNLRSA-N 1 2 371.868 2.675 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(=O)c4ccccc4[nH]3)C[C@]2(C)C1 ZINC001091831061 1001916502 /nfs/dbraw/zinc/91/65/02/1001916502.db2.gz GYCSWLLDZUUNMK-VLIAUNLRSA-N 1 2 371.868 2.675 20 30 FFEDLO COc1ccc(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1C#N ZINC000746782695 1001951164 /nfs/dbraw/zinc/95/11/64/1001951164.db2.gz YDIRARJJUXSZCP-UHFFFAOYSA-N 1 2 370.478 2.656 20 30 FFEDLO N#Cc1cccc2[nH]cc(CC(=O)N3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)c21 ZINC001182581008 1001963916 /nfs/dbraw/zinc/96/39/16/1001963916.db2.gz CNNJARGALZFXQX-KRWDZBQOSA-N 1 2 372.419 2.914 20 30 FFEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3cccc(F)c3o1)C2 ZINC001110125336 1002074815 /nfs/dbraw/zinc/07/48/15/1002074815.db2.gz XSXJESMITYSXIO-PVAVHDDUSA-N 1 2 356.397 2.557 20 30 FFEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3cccc(F)c3o1)C2 ZINC001110125336 1002074819 /nfs/dbraw/zinc/07/48/19/1002074819.db2.gz XSXJESMITYSXIO-PVAVHDDUSA-N 1 2 356.397 2.557 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)n3C)C[C@@]2(C)C1 ZINC001091978206 1002238281 /nfs/dbraw/zinc/23/82/81/1002238281.db2.gz LUYFMSIPJMXURW-CZAAIQMYSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)n3C)C[C@@]2(C)C1 ZINC001091978206 1002238292 /nfs/dbraw/zinc/23/82/92/1002238292.db2.gz LUYFMSIPJMXURW-CZAAIQMYSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(CC)s3)C[C@@]2(C)C1 ZINC001091981603 1002244043 /nfs/dbraw/zinc/24/40/43/1002244043.db2.gz PKXMHYKCQFCBQC-ZMYBRWDISA-N 1 2 362.543 2.983 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(CC)s3)C[C@@]2(C)C1 ZINC001091981603 1002244051 /nfs/dbraw/zinc/24/40/51/1002244051.db2.gz PKXMHYKCQFCBQC-ZMYBRWDISA-N 1 2 362.543 2.983 20 30 FFEDLO COc1c(O)ccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c1[N+](=O)[O-] ZINC001183379998 1002262820 /nfs/dbraw/zinc/26/28/20/1002262820.db2.gz WFGSIRGYRVORCJ-UHFFFAOYSA-N 1 2 368.393 2.503 20 30 FFEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[C@@H](C#N)Cc1ccc(O)cc1 ZINC001183609831 1002315803 /nfs/dbraw/zinc/31/58/03/1002315803.db2.gz RSUFKBZXRHFBBO-GOSISDBHSA-N 1 2 360.417 2.919 20 30 FFEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)NCCc1cn2c([nH+]1)CCCC2 ZINC000790284180 1002319107 /nfs/dbraw/zinc/31/91/07/1002319107.db2.gz VAVCENFDUGQNHR-UHFFFAOYSA-N 1 2 361.367 2.949 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001096830558 1016604732 /nfs/dbraw/zinc/60/47/32/1016604732.db2.gz YAPOSWZWJFNPKW-SCTDSRPQSA-N 1 2 370.497 2.950 20 30 FFEDLO C=C1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)NCCOc2cc[nH+]cc2)C1 ZINC001183626009 1002342324 /nfs/dbraw/zinc/34/23/24/1002342324.db2.gz AXJAMDOECFXVQD-IBGZPJMESA-N 1 2 361.442 2.532 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nccn2CC)C1 ZINC001086585958 1002347296 /nfs/dbraw/zinc/34/72/96/1002347296.db2.gz XWDBXZDWUPKGSY-DLBZAZTESA-N 1 2 358.873 2.853 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nccn2CC)C1 ZINC001086585958 1002347308 /nfs/dbraw/zinc/34/73/08/1002347308.db2.gz XWDBXZDWUPKGSY-DLBZAZTESA-N 1 2 358.873 2.853 20 30 FFEDLO N#Cc1ccccc1CN1CCCC[C@H]1C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001183828398 1002400915 /nfs/dbraw/zinc/40/09/15/1002400915.db2.gz GLBBRVBXTREGTD-NRFANRHFSA-N 1 2 360.461 2.857 20 30 FFEDLO Cc1ncsc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001096841804 1016621122 /nfs/dbraw/zinc/62/11/22/1016621122.db2.gz WTQDUPZAVUCEPI-DFBGVHRSSA-N 1 2 358.492 2.920 20 30 FFEDLO Cc1ncsc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001096841804 1016621128 /nfs/dbraw/zinc/62/11/28/1016621128.db2.gz WTQDUPZAVUCEPI-DFBGVHRSSA-N 1 2 358.492 2.920 20 30 FFEDLO CC#CCCCC(=O)N1C[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@@]2(C)C1 ZINC001092303447 1002635682 /nfs/dbraw/zinc/63/56/82/1002635682.db2.gz BMTHQVHDJWFNOJ-GHTZIAJQSA-N 1 2 354.498 2.880 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2nc3ccccc3o2)C1 ZINC001092314822 1002664950 /nfs/dbraw/zinc/66/49/50/1002664950.db2.gz UGZQGSVMLQQJRQ-GDBMZVCRSA-N 1 2 365.437 2.934 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccnc(C)n2)C1 ZINC001092316045 1002668520 /nfs/dbraw/zinc/66/85/20/1002668520.db2.gz PZVRWDVZNVQDEY-HZPDHXFCSA-N 1 2 368.485 2.527 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@@]2(C)C1 ZINC001092285917 1002691147 /nfs/dbraw/zinc/69/11/47/1002691147.db2.gz ZWBYVLCHXGVMGL-UTKZUKDTSA-N 1 2 352.482 2.751 20 30 FFEDLO C=CCCOCC(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001092376616 1002791663 /nfs/dbraw/zinc/79/16/63/1002791663.db2.gz FVZJJYLBJCJQCU-NVXWUHKLSA-N 1 2 360.502 2.690 20 30 FFEDLO C=CCO[C@@H](C)C(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001092376907 1002791736 /nfs/dbraw/zinc/79/17/36/1002791736.db2.gz PHRODKKHBJPVOH-HYVNUMGLSA-N 1 2 360.502 2.688 20 30 FFEDLO Cc1[nH]nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)c1C ZINC001096890969 1016687700 /nfs/dbraw/zinc/68/77/00/1016687700.db2.gz NPRFYQZFEKOCNP-QRVBRYPASA-N 1 2 366.440 2.552 20 30 FFEDLO Cc1[nH]nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)c1C ZINC001096890969 1016687706 /nfs/dbraw/zinc/68/77/06/1016687706.db2.gz NPRFYQZFEKOCNP-QRVBRYPASA-N 1 2 366.440 2.552 20 30 FFEDLO Cc1[nH]nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)c1C ZINC001096891209 1016687894 /nfs/dbraw/zinc/68/78/94/1016687894.db2.gz VTBZVDNJEHQBAE-NXHRZFHOSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1[nH]nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)c1C ZINC001096891209 1016687899 /nfs/dbraw/zinc/68/78/99/1016687899.db2.gz VTBZVDNJEHQBAE-NXHRZFHOSA-N 1 2 367.428 2.573 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110366105 1003011647 /nfs/dbraw/zinc/01/16/47/1003011647.db2.gz KCGOHPJLCYRNCI-GVXRKXQCSA-N 1 2 371.456 2.900 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110366105 1003011658 /nfs/dbraw/zinc/01/16/58/1003011658.db2.gz KCGOHPJLCYRNCI-GVXRKXQCSA-N 1 2 371.456 2.900 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccncc1Cl ZINC001110366221 1003014814 /nfs/dbraw/zinc/01/48/14/1003014814.db2.gz MMSIAKHFODAVSS-NZPGVSJUSA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccncc1Cl ZINC001110366221 1003014829 /nfs/dbraw/zinc/01/48/29/1003014829.db2.gz MMSIAKHFODAVSS-NZPGVSJUSA-N 1 2 363.889 2.938 20 30 FFEDLO Cc1cc(C[N@@H+]2CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC000774911031 1003017833 /nfs/dbraw/zinc/01/78/33/1003017833.db2.gz FOKQDOXKEDFGSV-CRAIPNDOSA-N 1 2 359.470 2.981 20 30 FFEDLO Cc1cc(C[N@H+]2CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC000774911031 1003017844 /nfs/dbraw/zinc/01/78/44/1003017844.db2.gz FOKQDOXKEDFGSV-CRAIPNDOSA-N 1 2 359.470 2.981 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)c1ccncc1F ZINC001096908280 1016721351 /nfs/dbraw/zinc/72/13/51/1016721351.db2.gz GTURTURZRYSUQF-AHRSYUTCSA-N 1 2 367.399 2.747 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)c1ccncc1F ZINC001096908280 1016721364 /nfs/dbraw/zinc/72/13/64/1016721364.db2.gz GTURTURZRYSUQF-AHRSYUTCSA-N 1 2 367.399 2.747 20 30 FFEDLO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC001152344287 1032149733 /nfs/dbraw/zinc/14/97/33/1032149733.db2.gz LJODSOZOOJLGIH-CHWSQXEVSA-N 1 2 352.785 2.863 20 30 FFEDLO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001152344287 1032149723 /nfs/dbraw/zinc/14/97/23/1032149723.db2.gz LJODSOZOOJLGIH-CHWSQXEVSA-N 1 2 352.785 2.863 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)NCC[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001092561052 1003126784 /nfs/dbraw/zinc/12/67/84/1003126784.db2.gz FZNWOIWMOVGBQM-WRWLIDTKSA-N 1 2 360.502 2.592 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113918061 1003232188 /nfs/dbraw/zinc/23/21/88/1003232188.db2.gz BKQDRBDPVBKNAQ-RYRKJORJSA-N 1 2 360.502 2.831 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(Nc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001110379688 1003293837 /nfs/dbraw/zinc/29/38/37/1003293837.db2.gz ZSSLZOBDEOGNGE-RDJZCZTQSA-N 1 2 358.486 2.950 20 30 FFEDLO CC(C)[C@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1ccc(C#N)cn1 ZINC001114121066 1003402189 /nfs/dbraw/zinc/40/21/89/1003402189.db2.gz GGGTWGMRWWUPNE-ZACQAIPSSA-N 1 2 366.469 2.765 20 30 FFEDLO CC(C)[C@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1ccc(C#N)cn1 ZINC001114121066 1003402195 /nfs/dbraw/zinc/40/21/95/1003402195.db2.gz GGGTWGMRWWUPNE-ZACQAIPSSA-N 1 2 366.469 2.765 20 30 FFEDLO COc1ccc(F)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2 ZINC001096971116 1016787901 /nfs/dbraw/zinc/78/79/01/1016787901.db2.gz CEWJGMMMXOWRCQ-NXHRZFHOSA-N 1 2 368.412 2.569 20 30 FFEDLO COc1ccc(F)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2 ZINC001096971116 1016787912 /nfs/dbraw/zinc/78/79/12/1016787912.db2.gz CEWJGMMMXOWRCQ-NXHRZFHOSA-N 1 2 368.412 2.569 20 30 FFEDLO CC[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@@H](C)C(=O)OC(C)(C)C ZINC001196056529 1003644857 /nfs/dbraw/zinc/64/48/57/1003644857.db2.gz LCDFUYCINBGXFF-RDJZCZTQSA-N 1 2 362.470 2.544 20 30 FFEDLO CC[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@@H](C)C(=O)OC(C)(C)C ZINC001196056529 1003644859 /nfs/dbraw/zinc/64/48/59/1003644859.db2.gz LCDFUYCINBGXFF-RDJZCZTQSA-N 1 2 362.470 2.544 20 30 FFEDLO Cc1ccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c(N(C)C)[nH+]1 ZINC000804484248 1003685024 /nfs/dbraw/zinc/68/50/24/1003685024.db2.gz WBAVHZNTJCUQAT-OAHLLOKOSA-N 1 2 367.428 2.932 20 30 FFEDLO Cc1ccccc1[C@H]1CN(S(=O)(=O)c2ccc(CCC#N)cc2)CC[NH2+]1 ZINC001196229700 1003721315 /nfs/dbraw/zinc/72/13/15/1003721315.db2.gz SLMYDELLOPFSLG-HXUWFJFHSA-N 1 2 369.490 2.786 20 30 FFEDLO C#C[C@H](CC)NC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001129610867 1003722009 /nfs/dbraw/zinc/72/20/09/1003722009.db2.gz QSUGFFHCRAEOPO-GOSISDBHSA-N 1 2 373.497 2.541 20 30 FFEDLO C#C[C@H](CC)NC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001129610867 1003722012 /nfs/dbraw/zinc/72/20/12/1003722012.db2.gz QSUGFFHCRAEOPO-GOSISDBHSA-N 1 2 373.497 2.541 20 30 FFEDLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2noc([C@@]3(C#N)CCCOC3)n2)C1 ZINC000867180909 1003821454 /nfs/dbraw/zinc/82/14/54/1003821454.db2.gz IZRWFDKYDZQLPW-YLJYHZDGSA-N 1 2 368.437 2.523 20 30 FFEDLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc([C@@]3(C#N)CCCOC3)n2)C1 ZINC000867180909 1003821473 /nfs/dbraw/zinc/82/14/73/1003821473.db2.gz IZRWFDKYDZQLPW-YLJYHZDGSA-N 1 2 368.437 2.523 20 30 FFEDLO C[C@@H](CC1CCCCC1)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001196601054 1003850258 /nfs/dbraw/zinc/85/02/58/1003850258.db2.gz YWBMMCMAEOEXQI-VLCRHTCISA-N 1 2 368.521 2.806 20 30 FFEDLO C[C@@H](CC1CCCCC1)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001196601054 1003850271 /nfs/dbraw/zinc/85/02/71/1003850271.db2.gz YWBMMCMAEOEXQI-VLCRHTCISA-N 1 2 368.521 2.806 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000804809754 1003852083 /nfs/dbraw/zinc/85/20/83/1003852083.db2.gz LKFFDXYWQXDUAF-RBUKOAKNSA-N 1 2 350.466 2.732 20 30 FFEDLO C#CC[C@H](Cc1ccccc1)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000804809754 1003852093 /nfs/dbraw/zinc/85/20/93/1003852093.db2.gz LKFFDXYWQXDUAF-RBUKOAKNSA-N 1 2 350.466 2.732 20 30 FFEDLO N#Cc1ccccc1-c1ccc(CNC(=O)/C=C\C[NH+]2CCOCC2)cc1 ZINC000867206945 1003994853 /nfs/dbraw/zinc/99/48/53/1003994853.db2.gz WYYNVYDUUXELEF-UTCJRWHESA-N 1 2 361.445 2.730 20 30 FFEDLO C=CC[C@H](C(=O)OC)[N@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001196935061 1004003188 /nfs/dbraw/zinc/00/31/88/1004003188.db2.gz FPUALWJECPDRFG-UKRRQHHQSA-N 1 2 362.253 2.783 20 30 FFEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001196935061 1004003198 /nfs/dbraw/zinc/00/31/98/1004003198.db2.gz FPUALWJECPDRFG-UKRRQHHQSA-N 1 2 362.253 2.783 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)C)CCCCC1 ZINC001111441474 1016867046 /nfs/dbraw/zinc/86/70/46/1016867046.db2.gz OQOBUJIWOJAILW-KURKYZTESA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)C)CCCCC1 ZINC001111441474 1016867057 /nfs/dbraw/zinc/86/70/57/1016867057.db2.gz OQOBUJIWOJAILW-KURKYZTESA-N 1 2 361.530 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001057247111 1016871457 /nfs/dbraw/zinc/87/14/57/1016871457.db2.gz ANVHFTOHTURPCQ-MSOLQXFVSA-N 1 2 370.497 2.682 20 30 FFEDLO Cc1nscc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096981124 1016872550 /nfs/dbraw/zinc/87/25/50/1016872550.db2.gz LIIQXPVQZCKBEZ-OLMNPRSZSA-N 1 2 370.453 2.998 20 30 FFEDLO Cc1nscc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001096981124 1016872566 /nfs/dbraw/zinc/87/25/66/1016872566.db2.gz LIIQXPVQZCKBEZ-OLMNPRSZSA-N 1 2 370.453 2.998 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@@H+](C)Cc2ncc(Br)cn2)cc1 ZINC001197809269 1004373422 /nfs/dbraw/zinc/37/34/22/1004373422.db2.gz RTTYCTRNBJRWLZ-UHFFFAOYSA-N 1 2 373.254 2.681 20 30 FFEDLO C#Cc1ccc(NC(=O)CC[N@H+](C)Cc2ncc(Br)cn2)cc1 ZINC001197809269 1004373428 /nfs/dbraw/zinc/37/34/28/1004373428.db2.gz RTTYCTRNBJRWLZ-UHFFFAOYSA-N 1 2 373.254 2.681 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@H]1O ZINC001193369636 1004467401 /nfs/dbraw/zinc/46/74/01/1004467401.db2.gz AHPQRUXUSGOCJK-IAGOWNOFSA-N 1 2 354.853 2.539 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)C[C@H]1O ZINC001193369636 1004467407 /nfs/dbraw/zinc/46/74/07/1004467407.db2.gz AHPQRUXUSGOCJK-IAGOWNOFSA-N 1 2 354.853 2.539 20 30 FFEDLO CCCCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001198327214 1004579465 /nfs/dbraw/zinc/57/94/65/1004579465.db2.gz DLJFQOTXVZWDAZ-RTBURBONSA-N 1 2 362.901 2.823 20 30 FFEDLO CCCCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001198327214 1004579472 /nfs/dbraw/zinc/57/94/72/1004579472.db2.gz DLJFQOTXVZWDAZ-RTBURBONSA-N 1 2 362.901 2.823 20 30 FFEDLO Cc1ccc(C[N@H+](C)CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)cc1 ZINC000101535416 1004858461 /nfs/dbraw/zinc/85/84/61/1004858461.db2.gz DRTBKCCUXHHZKQ-NRFANRHFSA-N 1 2 362.433 2.723 20 30 FFEDLO Cc1ccc(C[N@@H+](C)CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)cc1 ZINC000101535416 1004858466 /nfs/dbraw/zinc/85/84/66/1004858466.db2.gz DRTBKCCUXHHZKQ-NRFANRHFSA-N 1 2 362.433 2.723 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](Cn2cnc3cc(F)c(F)cc32)CC1 ZINC000101537544 1004860205 /nfs/dbraw/zinc/86/02/05/1004860205.db2.gz GPGFMFHCUYFKDK-UHFFFAOYSA-N 1 2 353.376 2.966 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3ccc(F)c(F)c3)CC2)c(F)c1 ZINC000101558275 1004863014 /nfs/dbraw/zinc/86/30/14/1004863014.db2.gz HOVSPTQCYPYZKX-IBGZPJMESA-N 1 2 361.367 2.831 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](CC)c2ccc(F)cc2F)C[C@H]1O ZINC001195482915 1004973996 /nfs/dbraw/zinc/97/39/96/1004973996.db2.gz DHDIYWHPOPLSBJ-GUDVDZBRSA-N 1 2 364.436 2.771 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)c2ccc(F)cc2F)C[C@H]1O ZINC001195482915 1004973999 /nfs/dbraw/zinc/97/39/99/1004973999.db2.gz DHDIYWHPOPLSBJ-GUDVDZBRSA-N 1 2 364.436 2.771 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)c(OC)c2)C[C@H]1O ZINC001195924763 1005074719 /nfs/dbraw/zinc/07/47/19/1005074719.db2.gz ZWUIDQDNDPSCMJ-GPMSIDNRSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(OC)c2)C[C@H]1O ZINC001195924763 1005074724 /nfs/dbraw/zinc/07/47/24/1005074724.db2.gz ZWUIDQDNDPSCMJ-GPMSIDNRSA-N 1 2 366.889 2.612 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(F)C(F)(F)F)C3)c1 ZINC001110579913 1005342198 /nfs/dbraw/zinc/34/21/98/1005342198.db2.gz OTDZHPXMUUARGK-KBXIAJHMSA-N 1 2 355.335 2.680 20 30 FFEDLO N#Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(F)C(F)(F)F)C3)c1 ZINC001110579913 1005342201 /nfs/dbraw/zinc/34/22/01/1005342201.db2.gz OTDZHPXMUUARGK-KBXIAJHMSA-N 1 2 355.335 2.680 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776280428 1005346236 /nfs/dbraw/zinc/34/62/36/1005346236.db2.gz ZSCBALWSGUJCPB-PMACEKPBSA-N 1 2 366.421 2.511 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001489244870 1005436334 /nfs/dbraw/zinc/43/63/34/1005436334.db2.gz WRELFCXPVHNULA-ZWKOTPCHSA-N 1 2 366.465 2.672 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001489253926 1005439473 /nfs/dbraw/zinc/43/94/73/1005439473.db2.gz NHENYAFMJLIRPI-ZRGWGRIASA-N 1 2 366.465 2.838 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001489950387 1005598437 /nfs/dbraw/zinc/59/84/37/1005598437.db2.gz DSRVDNPLLBTTSE-WBVHZDCISA-N 1 2 360.502 2.688 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001489950387 1005598440 /nfs/dbraw/zinc/59/84/40/1005598440.db2.gz DSRVDNPLLBTTSE-WBVHZDCISA-N 1 2 360.502 2.688 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H]1CC ZINC001490010043 1005614595 /nfs/dbraw/zinc/61/45/95/1005614595.db2.gz IFNZOBLZVPWCOX-WCXIOVBPSA-N 1 2 372.513 2.622 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1CC ZINC001490004238 1005630118 /nfs/dbraw/zinc/63/01/18/1005630118.db2.gz HRNCFSCCTDFSLH-FGTMMUONSA-N 1 2 360.502 2.761 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3[nH+]ccn31)C2 ZINC001490651965 1005754455 /nfs/dbraw/zinc/75/44/55/1005754455.db2.gz BMUKMTHJFVKJLA-YVSFHVDLSA-N 1 2 366.465 2.798 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001187225367 1005964856 /nfs/dbraw/zinc/96/48/56/1005964856.db2.gz DOWMPCFYRQIODZ-IXDOHACOSA-N 1 2 361.486 2.812 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001187225367 1005964862 /nfs/dbraw/zinc/96/48/62/1005964862.db2.gz DOWMPCFYRQIODZ-IXDOHACOSA-N 1 2 361.486 2.812 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nc(-c4ccco4)no3)C[C@H]21 ZINC001187209176 1005979582 /nfs/dbraw/zinc/97/95/82/1005979582.db2.gz LFIRKBQVYBVGDD-SOUVJXGZSA-N 1 2 356.426 2.890 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3nc(-c4ccco4)no3)C[C@H]21 ZINC001187209176 1005979588 /nfs/dbraw/zinc/97/95/88/1005979588.db2.gz LFIRKBQVYBVGDD-SOUVJXGZSA-N 1 2 356.426 2.890 20 30 FFEDLO COc1cccc(NC(=O)CC[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852332299 1005982405 /nfs/dbraw/zinc/98/24/05/1005982405.db2.gz QMOVDHNZAISNJD-OAQYLSRUSA-N 1 2 364.449 2.976 20 30 FFEDLO COc1cccc(NC(=O)CC[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852332299 1005982409 /nfs/dbraw/zinc/98/24/09/1005982409.db2.gz QMOVDHNZAISNJD-OAQYLSRUSA-N 1 2 364.449 2.976 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)c2ncc(C)o2)CCOCC1 ZINC001110651047 1006060535 /nfs/dbraw/zinc/06/05/35/1006060535.db2.gz KTNZKJQXAPRRDP-MLHJIOFPSA-N 1 2 371.481 2.586 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)c2ncc(C)o2)CCOCC1 ZINC001110651047 1006060541 /nfs/dbraw/zinc/06/05/41/1006060541.db2.gz KTNZKJQXAPRRDP-MLHJIOFPSA-N 1 2 371.481 2.586 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H]3CCN(C(=O)[C@H](C)CCC)[C@@H]3C2)c1 ZINC001187387496 1006078833 /nfs/dbraw/zinc/07/88/33/1006078833.db2.gz XICMFAANQKACGM-IMFGXOCKSA-N 1 2 367.493 2.575 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C)CCC)[C@@H]3C2)c1 ZINC001187387496 1006078844 /nfs/dbraw/zinc/07/88/44/1006078844.db2.gz XICMFAANQKACGM-IMFGXOCKSA-N 1 2 367.493 2.575 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(-c4ccco4)on3)C[C@H]21 ZINC001187737630 1006227023 /nfs/dbraw/zinc/22/70/23/1006227023.db2.gz WSKSZWWIVYVUMW-DOTOQJQBSA-N 1 2 353.422 2.771 20 30 FFEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(-c4ccco4)on3)C[C@H]21 ZINC001187737630 1006227036 /nfs/dbraw/zinc/22/70/36/1006227036.db2.gz WSKSZWWIVYVUMW-DOTOQJQBSA-N 1 2 353.422 2.771 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC001187881812 1006305371 /nfs/dbraw/zinc/30/53/71/1006305371.db2.gz CZGRENVJAULPPK-SUNYJGFJSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC001187881812 1006305385 /nfs/dbraw/zinc/30/53/85/1006305385.db2.gz CZGRENVJAULPPK-SUNYJGFJSA-N 1 2 364.848 2.550 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccc(OC)c(C)c1)C2 ZINC001110662878 1006350195 /nfs/dbraw/zinc/35/01/95/1006350195.db2.gz SGUSHGPEWHCOGK-OIISXLGYSA-N 1 2 364.873 2.856 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccc(OC)c(C)c1)C2 ZINC001110662878 1006350204 /nfs/dbraw/zinc/35/02/04/1006350204.db2.gz SGUSHGPEWHCOGK-OIISXLGYSA-N 1 2 364.873 2.856 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000747967621 1006388491 /nfs/dbraw/zinc/38/84/91/1006388491.db2.gz HRONNMNTEHODJB-VQIMIIECSA-N 1 2 356.514 2.822 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000747967621 1006388504 /nfs/dbraw/zinc/38/85/04/1006388504.db2.gz HRONNMNTEHODJB-VQIMIIECSA-N 1 2 356.514 2.822 20 30 FFEDLO C#Cc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000111717859 1006575545 /nfs/dbraw/zinc/57/55/45/1006575545.db2.gz QTAIOXQQLVBVDN-NRFANRHFSA-N 1 2 363.461 2.733 20 30 FFEDLO C=CCN(CCc1ccco1)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC001188655987 1006652639 /nfs/dbraw/zinc/65/26/39/1006652639.db2.gz LODPUOOTNVTZFG-UHFFFAOYSA-N 1 2 360.479 2.687 20 30 FFEDLO C=CCN(CCc1ccco1)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC001188655987 1006652650 /nfs/dbraw/zinc/65/26/50/1006652650.db2.gz LODPUOOTNVTZFG-UHFFFAOYSA-N 1 2 360.479 2.687 20 30 FFEDLO Cc1oc(-c2ccco2)nc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C#N)C2 ZINC001110402041 1006717907 /nfs/dbraw/zinc/71/79/07/1006717907.db2.gz VTZJRYNAOKYLMX-MEWXFMAXSA-N 1 2 354.410 2.624 20 30 FFEDLO Cc1oc(-c2ccco2)nc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C#N)C2 ZINC001110402041 1006717917 /nfs/dbraw/zinc/71/79/17/1006717917.db2.gz VTZJRYNAOKYLMX-MEWXFMAXSA-N 1 2 354.410 2.624 20 30 FFEDLO CCCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110407972 1007076024 /nfs/dbraw/zinc/07/60/24/1007076024.db2.gz KAWLFUAOACHWNB-AQNXPRMDSA-N 1 2 358.457 2.715 20 30 FFEDLO CCCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110407972 1007076037 /nfs/dbraw/zinc/07/60/37/1007076037.db2.gz KAWLFUAOACHWNB-AQNXPRMDSA-N 1 2 358.457 2.715 20 30 FFEDLO N#Cc1c(Cl)c(F)cc(C(=O)NCC2([NH+]3CCCC3)COC2)c1Cl ZINC001189846014 1007328131 /nfs/dbraw/zinc/32/81/31/1007328131.db2.gz AEOGHTQOLBCQOT-UHFFFAOYSA-N 1 2 372.227 2.599 20 30 FFEDLO CC(C)C(=O)N1CCC(=NOCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000817376565 1007568319 /nfs/dbraw/zinc/56/83/19/1007568319.db2.gz JOROWHDHMWUCBB-UHFFFAOYSA-N 1 2 373.497 2.670 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(C)CC(F)(F)C2)cc1C#N ZINC001273608318 1007796573 /nfs/dbraw/zinc/79/65/73/1007796573.db2.gz CYLYVLUTBBIEJB-GASCZTMLSA-N 1 2 362.424 2.507 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(C)CC(F)(F)C2)cc1C#N ZINC001273608318 1007796583 /nfs/dbraw/zinc/79/65/83/1007796583.db2.gz CYLYVLUTBBIEJB-GASCZTMLSA-N 1 2 362.424 2.507 20 30 FFEDLO CCN1CC[NH+](Cc2ccc(C(=O)N[C@@H](C#N)c3ccccc3)cc2)CC1 ZINC001190832235 1007800055 /nfs/dbraw/zinc/80/00/55/1007800055.db2.gz OUCVNIHRNNOOFR-NRFANRHFSA-N 1 2 362.477 2.819 20 30 FFEDLO CCN1CC[NH+](Cc2ccc(C(=O)N[C@](C)(C#N)CC(C)C)cc2)CC1 ZINC001190870338 1007819558 /nfs/dbraw/zinc/81/95/58/1007819558.db2.gz NUGDAJBOXHHYFI-NRFANRHFSA-N 1 2 356.514 2.882 20 30 FFEDLO C#CCCC1(CCNC(=O)c2ccc(C[NH+]3CCN(CC)CC3)cc2)N=N1 ZINC001190869571 1007820107 /nfs/dbraw/zinc/82/01/07/1007820107.db2.gz AUOYGJGDYXTQRV-UHFFFAOYSA-N 1 2 367.497 2.520 20 30 FFEDLO CCCCCCCCNC(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001191058985 1007879915 /nfs/dbraw/zinc/87/99/15/1007879915.db2.gz BNRIDPLNAUVZKA-UHFFFAOYSA-N 1 2 373.505 2.799 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000819433758 1008133210 /nfs/dbraw/zinc/13/32/10/1008133210.db2.gz BEPOPLOTEQHWSN-HXUWFJFHSA-N 1 2 364.449 2.756 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000819433758 1008133214 /nfs/dbraw/zinc/13/32/14/1008133214.db2.gz BEPOPLOTEQHWSN-HXUWFJFHSA-N 1 2 364.449 2.756 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2nc(C)sc2C)C[C@H]1C ZINC001206486467 1032309586 /nfs/dbraw/zinc/30/95/86/1032309586.db2.gz XVBLFWAYDCBZCJ-XJKCOSOUSA-N 1 2 351.516 2.678 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)sc2C)C[C@H]1C ZINC001206486467 1032309600 /nfs/dbraw/zinc/30/96/00/1032309600.db2.gz XVBLFWAYDCBZCJ-XJKCOSOUSA-N 1 2 351.516 2.678 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)C[C@H]1C ZINC001206509308 1032320193 /nfs/dbraw/zinc/32/01/93/1032320193.db2.gz JDTXVNAYUGXPOI-IIYDPXPESA-N 1 2 365.424 2.695 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)C[C@H]1C ZINC001206509308 1032320197 /nfs/dbraw/zinc/32/01/97/1032320197.db2.gz JDTXVNAYUGXPOI-IIYDPXPESA-N 1 2 365.424 2.695 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)NC(=O)C1CCCC1)C2 ZINC001110203793 1008565437 /nfs/dbraw/zinc/56/54/37/1008565437.db2.gz PDLFMOKPWPVNDW-ORQFMDKSSA-N 1 2 367.921 2.545 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)NC(=O)C1CCCC1)C2 ZINC001110203793 1008565449 /nfs/dbraw/zinc/56/54/49/1008565449.db2.gz PDLFMOKPWPVNDW-ORQFMDKSSA-N 1 2 367.921 2.545 20 30 FFEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cnc3ccc(C(=O)OC)cc3c2)cc1 ZINC001170984252 1008573926 /nfs/dbraw/zinc/57/39/26/1008573926.db2.gz RZXBZZUBPSMKGT-UHFFFAOYSA-N 1 2 363.373 2.845 20 30 FFEDLO Cn1nccc1C([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccnn1C ZINC000860082355 1008817911 /nfs/dbraw/zinc/81/79/11/1008817911.db2.gz NAWNLSGTBDPAJI-UHFFFAOYSA-N 1 2 374.370 2.923 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3C)o2)C[C@H]1C ZINC001206620627 1032367603 /nfs/dbraw/zinc/36/76/03/1032367603.db2.gz VMZFZGUUXNCBTF-SJLPKXTDSA-N 1 2 369.465 2.789 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3C)o2)C[C@H]1C ZINC001206620627 1032367611 /nfs/dbraw/zinc/36/76/11/1032367611.db2.gz VMZFZGUUXNCBTF-SJLPKXTDSA-N 1 2 369.465 2.789 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001092955202 1009429935 /nfs/dbraw/zinc/42/99/35/1009429935.db2.gz RPRXANAAFUJHJZ-KURKYZTESA-N 1 2 358.486 2.611 20 30 FFEDLO C/C(=C\C(=O)N1CCC(c2ccc(C#N)cc2)CC1)C[NH+]1CCOCC1 ZINC000887699146 1009469775 /nfs/dbraw/zinc/46/97/75/1009469775.db2.gz OFJYAONVYJXPHP-SAPNQHFASA-N 1 2 353.466 2.543 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cc(C)[nH+]c(CC)n2)CCC1 ZINC001093022115 1009628912 /nfs/dbraw/zinc/62/89/12/1009628912.db2.gz NCHOPPDPKDMSBH-ZACQAIPSSA-N 1 2 352.482 2.767 20 30 FFEDLO C#CCC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](Nc3cc[nH+]c(C)n3)C2)CCC1 ZINC001093114487 1009893212 /nfs/dbraw/zinc/89/32/12/1009893212.db2.gz JCPDWWWSBHQBFY-ZIAGYGMSSA-N 1 2 366.387 2.780 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(OCCOC)c1)C2 ZINC001110142305 1010165136 /nfs/dbraw/zinc/16/51/36/1010165136.db2.gz YBFWWMQHBWBSJA-NJAFHUGGSA-N 1 2 364.873 2.799 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(OCCOC)c1)C2 ZINC001110142305 1010165150 /nfs/dbraw/zinc/16/51/50/1010165150.db2.gz YBFWWMQHBWBSJA-NJAFHUGGSA-N 1 2 364.873 2.799 20 30 FFEDLO N#CCc1cccc2c1CC[N@@H+](CN1C(=O)C3(CCC3)[C@H]1[C@H]1CCCO1)C2 ZINC000863335358 1010182525 /nfs/dbraw/zinc/18/25/25/1010182525.db2.gz FQAPEAXJTUZMCG-WOJBJXKFSA-N 1 2 365.477 2.628 20 30 FFEDLO N#CCc1cccc2c1CC[N@H+](CN1C(=O)C3(CCC3)[C@H]1[C@H]1CCCO1)C2 ZINC000863335358 1010182530 /nfs/dbraw/zinc/18/25/30/1010182530.db2.gz FQAPEAXJTUZMCG-WOJBJXKFSA-N 1 2 365.477 2.628 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC001206912252 1032492368 /nfs/dbraw/zinc/49/23/68/1032492368.db2.gz CDKNWFIMPARPIR-RHSMWYFYSA-N 1 2 361.873 2.519 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC001206912252 1032492375 /nfs/dbraw/zinc/49/23/75/1032492375.db2.gz CDKNWFIMPARPIR-RHSMWYFYSA-N 1 2 361.873 2.519 20 30 FFEDLO C[C@@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1cccc(C#N)c1O ZINC000866398821 1010987690 /nfs/dbraw/zinc/98/76/90/1010987690.db2.gz ROQOOVDQORUPNN-HIFRSBDPSA-N 1 2 361.442 2.550 20 30 FFEDLO N#Cc1ccc2c(c1)C[C@H](NC(=O)NCc1cc[nH+]c(N3CCCC3)c1)C2 ZINC000868023238 1011148252 /nfs/dbraw/zinc/14/82/52/1011148252.db2.gz MGHVRMPCCJZUSA-LJQANCHMSA-N 1 2 361.449 2.520 20 30 FFEDLO COc1c(C)c[nH+]c(CNC(=O)N(C)CCc2cccc(C#N)c2)c1C ZINC000868182456 1011192284 /nfs/dbraw/zinc/19/22/84/1011192284.db2.gz RLCKVUNVOFNYMN-UHFFFAOYSA-N 1 2 352.438 2.963 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F)C1CCC1 ZINC001110868406 1011282216 /nfs/dbraw/zinc/28/22/16/1011282216.db2.gz FRISWAIRSPKFSM-LMCOJAPRSA-N 1 2 371.456 2.734 20 30 FFEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F)C1CCC1 ZINC001110868406 1011282232 /nfs/dbraw/zinc/28/22/32/1011282232.db2.gz FRISWAIRSPKFSM-LMCOJAPRSA-N 1 2 371.456 2.734 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3cccc(F)c3C#N)C2)c1 ZINC001171791685 1011479361 /nfs/dbraw/zinc/47/93/61/1011479361.db2.gz ASZCOPGKANLEQT-KRWDZBQOSA-N 1 2 367.424 2.637 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3cccc(F)c3C#N)C2)c1 ZINC001171791685 1011479370 /nfs/dbraw/zinc/47/93/70/1011479370.db2.gz ASZCOPGKANLEQT-KRWDZBQOSA-N 1 2 367.424 2.637 20 30 FFEDLO C=CC[C@H]1CCC[N@@H+](CC(=O)N=c2cc[nH]n2Cc2cccc(C)c2)C1 ZINC001171840690 1011498316 /nfs/dbraw/zinc/49/83/16/1011498316.db2.gz GPYWQTUETGPZGF-SFHVURJKSA-N 1 2 352.482 2.888 20 30 FFEDLO C=CC[C@H]1CCC[N@H+](CC(=O)N=c2cc[nH]n2Cc2cccc(C)c2)C1 ZINC001171840690 1011498326 /nfs/dbraw/zinc/49/83/26/1011498326.db2.gz GPYWQTUETGPZGF-SFHVURJKSA-N 1 2 352.482 2.888 20 30 FFEDLO C=CC[C@H]1N(C(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CCCC1(C)C ZINC000411003582 1011711831 /nfs/dbraw/zinc/71/18/31/1011711831.db2.gz OLWJHPXRRYTZBW-IAGOWNOFSA-N 1 2 372.513 2.719 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+](Cc3ncc(Cl)nc3Cl)CC2)C1=O ZINC001275026991 1011825739 /nfs/dbraw/zinc/82/57/39/1011825739.db2.gz RCPUYHWTCQMXNI-QGZVFWFLSA-N 1 2 367.280 2.621 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+](Cc3ncc(Cl)nc3Cl)CC2)C1=O ZINC001275026991 1011825750 /nfs/dbraw/zinc/82/57/50/1011825750.db2.gz RCPUYHWTCQMXNI-QGZVFWFLSA-N 1 2 367.280 2.621 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000958557415 1011869590 /nfs/dbraw/zinc/86/95/90/1011869590.db2.gz FJWJPMLVBLHRDC-ZVGUJKQYSA-N 1 2 368.481 2.822 20 30 FFEDLO CCCCCCCC[N@@H+]1C[C@]2(F)CN(CC(OC)OC)C(=O)[C@]2(F)C1 ZINC001275113584 1011954867 /nfs/dbraw/zinc/95/48/67/1011954867.db2.gz GERMKOZGBXNNGP-ZWKOTPCHSA-N 1 2 362.461 2.540 20 30 FFEDLO CCCCCCCC[N@H+]1C[C@]2(F)CN(CC(OC)OC)C(=O)[C@]2(F)C1 ZINC001275113584 1011954871 /nfs/dbraw/zinc/95/48/71/1011954871.db2.gz GERMKOZGBXNNGP-ZWKOTPCHSA-N 1 2 362.461 2.540 20 30 FFEDLO C=CCN1CC[C@]2(CC[N@@H+](Cc3c(F)c(F)c(F)c(F)c3F)C2)C1=O ZINC001275200839 1012071249 /nfs/dbraw/zinc/07/12/49/1012071249.db2.gz LUCPRWWEKGXOPH-KRWDZBQOSA-N 1 2 360.326 2.993 20 30 FFEDLO C=CCN1CC[C@]2(CC[N@H+](Cc3c(F)c(F)c(F)c(F)c3F)C2)C1=O ZINC001275200839 1012071266 /nfs/dbraw/zinc/07/12/66/1012071266.db2.gz LUCPRWWEKGXOPH-KRWDZBQOSA-N 1 2 360.326 2.993 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c(F)cccc1Cl)C2 ZINC001275207351 1012078036 /nfs/dbraw/zinc/07/80/36/1012078036.db2.gz WTOIROPPEXCXQP-GOSISDBHSA-N 1 2 352.837 2.716 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1c(F)cccc1Cl)C2 ZINC001275207351 1012078047 /nfs/dbraw/zinc/07/80/47/1012078047.db2.gz WTOIROPPEXCXQP-GOSISDBHSA-N 1 2 352.837 2.716 20 30 FFEDLO C#CC[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnn2)C1)c1ccccc1 ZINC001217081713 1032603480 /nfs/dbraw/zinc/60/34/80/1032603480.db2.gz NNTZESRMJAPCHJ-SZVBFZGTSA-N 1 2 368.506 2.672 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C2 ZINC001275281566 1012202276 /nfs/dbraw/zinc/20/22/76/1012202276.db2.gz FHIORPILMNVGBH-GOSISDBHSA-N 1 2 367.276 2.678 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)c(Cl)c1)C2 ZINC001275281566 1012202290 /nfs/dbraw/zinc/20/22/90/1012202290.db2.gz FHIORPILMNVGBH-GOSISDBHSA-N 1 2 367.276 2.678 20 30 FFEDLO COc1cccc([C@H]2CN(C(=O)[C@@H](C#N)CCc3ccccc3)CC[NH2+]2)c1 ZINC000870151653 1012208370 /nfs/dbraw/zinc/20/83/70/1012208370.db2.gz GDZVHZGRNOJOID-TZIWHRDSSA-N 1 2 363.461 2.941 20 30 FFEDLO C[C@@H]([NH2+]Cc1ccncc1C#N)c1cc(F)ccc1N1CCC(O)CC1 ZINC000828155475 1032611677 /nfs/dbraw/zinc/61/16/77/1032611677.db2.gz NSEIRPJOKPBRTO-CQSZACIVSA-N 1 2 354.429 2.904 20 30 FFEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(O)c(F)c1F)CC2 ZINC001275351418 1012348800 /nfs/dbraw/zinc/34/88/00/1012348800.db2.gz QBOKTKHXRFOZHO-AWEZNQCLSA-N 1 2 363.408 2.692 20 30 FFEDLO N#CCCCN1C[C@]2(CC[N@@H+](Cc3cc(Cl)ccc3F)C2)OCC1=O ZINC001275352099 1012356159 /nfs/dbraw/zinc/35/61/59/1012356159.db2.gz ZVUIXXPMQJAIOX-GOSISDBHSA-N 1 2 365.836 2.586 20 30 FFEDLO N#CCCCN1C[C@]2(CC[N@H+](Cc3cc(Cl)ccc3F)C2)OCC1=O ZINC001275352099 1012356175 /nfs/dbraw/zinc/35/61/75/1012356175.db2.gz ZVUIXXPMQJAIOX-GOSISDBHSA-N 1 2 365.836 2.586 20 30 FFEDLO Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)n1 ZINC001095187044 1012669501 /nfs/dbraw/zinc/66/95/01/1012669501.db2.gz UAPARQNOOIMQNI-GIVPXCGWSA-N 1 2 363.436 2.916 20 30 FFEDLO Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)n1 ZINC001095187044 1012669509 /nfs/dbraw/zinc/66/95/09/1012669509.db2.gz UAPARQNOOIMQNI-GIVPXCGWSA-N 1 2 363.436 2.916 20 30 FFEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1c(F)cc(Cl)cc1F)CC2 ZINC001275633568 1012738116 /nfs/dbraw/zinc/73/81/16/1012738116.db2.gz UDQOTQIYIBHKQS-CQSZACIVSA-N 1 2 352.812 2.970 20 30 FFEDLO Cc1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)s1 ZINC001095227059 1012752869 /nfs/dbraw/zinc/75/28/69/1012752869.db2.gz MJEHEMXXHLBSJL-SQNIBIBYSA-N 1 2 351.475 2.838 20 30 FFEDLO Cc1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)s1 ZINC001095227059 1012752882 /nfs/dbraw/zinc/75/28/82/1012752882.db2.gz MJEHEMXXHLBSJL-SQNIBIBYSA-N 1 2 351.475 2.838 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccnc(F)c2)C3)c(F)c1 ZINC001095227438 1012758041 /nfs/dbraw/zinc/75/80/41/1012758041.db2.gz WHQJNNUYRHTTQF-NJAFHUGGSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccnc(F)c2)C3)c(F)c1 ZINC001095227438 1012758056 /nfs/dbraw/zinc/75/80/56/1012758056.db2.gz WHQJNNUYRHTTQF-NJAFHUGGSA-N 1 2 368.387 2.767 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(F)ccc1F)C2 ZINC001275663291 1012793312 /nfs/dbraw/zinc/79/33/12/1012793312.db2.gz SBBSUWMPNTVKTN-LJQANCHMSA-N 1 2 350.409 2.592 20 30 FFEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC001275663291 1012793328 /nfs/dbraw/zinc/79/33/28/1012793328.db2.gz SBBSUWMPNTVKTN-LJQANCHMSA-N 1 2 350.409 2.592 20 30 FFEDLO COc1cc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)ccc1C#N ZINC000828330360 1032670556 /nfs/dbraw/zinc/67/05/56/1032670556.db2.gz ATPNDNYOZWQBGA-UHFFFAOYSA-N 1 2 365.433 2.960 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)c1ccncc1F ZINC001095261151 1012994585 /nfs/dbraw/zinc/99/45/85/1012994585.db2.gz GTURTURZRYSUQF-UXPWSPDFSA-N 1 2 367.399 2.747 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)c1ccncc1F ZINC001095261151 1012994597 /nfs/dbraw/zinc/99/45/97/1012994597.db2.gz GTURTURZRYSUQF-UXPWSPDFSA-N 1 2 367.399 2.747 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccncc2F)C3)c(F)c1 ZINC001095261390 1012994801 /nfs/dbraw/zinc/99/48/01/1012994801.db2.gz RTVAXHIIQSMYDW-CCKFTAQKSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccncc2F)C3)c(F)c1 ZINC001095261390 1012994813 /nfs/dbraw/zinc/99/48/13/1012994813.db2.gz RTVAXHIIQSMYDW-CCKFTAQKSA-N 1 2 368.387 2.767 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001097225250 1017218438 /nfs/dbraw/zinc/21/84/38/1017218438.db2.gz WDPYQERMWKDNNB-NUJGCVRESA-N 1 2 354.454 2.814 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001097225250 1017218453 /nfs/dbraw/zinc/21/84/53/1017218453.db2.gz WDPYQERMWKDNNB-NUJGCVRESA-N 1 2 354.454 2.814 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c(CC)noc1CC)C2 ZINC001097238195 1017234826 /nfs/dbraw/zinc/23/48/26/1017234826.db2.gz ZEALGQHXUKLQRI-WQVCFCJDSA-N 1 2 351.878 2.816 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c(CC)noc1CC)C2 ZINC001097238195 1017234833 /nfs/dbraw/zinc/23/48/33/1017234833.db2.gz ZEALGQHXUKLQRI-WQVCFCJDSA-N 1 2 351.878 2.816 20 30 FFEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000748457146 1017270303 /nfs/dbraw/zinc/27/03/03/1017270303.db2.gz FVURQIAABOPLMF-HXUWFJFHSA-N 1 2 350.418 2.989 20 30 FFEDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000748457146 1017270317 /nfs/dbraw/zinc/27/03/17/1017270317.db2.gz FVURQIAABOPLMF-HXUWFJFHSA-N 1 2 350.418 2.989 20 30 FFEDLO O=C(CC#Cc1ccccc1)N1C[C@H]2CC[N@@H+](Cc3ccc(F)cn3)C[C@H]21 ZINC001222038780 1032689114 /nfs/dbraw/zinc/68/91/14/1032689114.db2.gz RJFRAHGNOCUARV-WIYYLYMNSA-N 1 2 363.436 2.695 20 30 FFEDLO O=C(CC#Cc1ccccc1)N1C[C@H]2CC[N@H+](Cc3ccc(F)cn3)C[C@H]21 ZINC001222038780 1032689128 /nfs/dbraw/zinc/68/91/28/1032689128.db2.gz RJFRAHGNOCUARV-WIYYLYMNSA-N 1 2 363.436 2.695 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(-n3cccc3)c1)C2 ZINC001097279894 1017293166 /nfs/dbraw/zinc/29/31/66/1017293166.db2.gz HUZJKDYAJRRLOK-ZACQAIPSSA-N 1 2 356.857 2.960 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(-n3cccc3)c1)C2 ZINC001097279894 1017293177 /nfs/dbraw/zinc/29/31/77/1017293177.db2.gz HUZJKDYAJRRLOK-ZACQAIPSSA-N 1 2 356.857 2.960 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCC2(F)F)C3)c(F)c1 ZINC001097304989 1017315202 /nfs/dbraw/zinc/31/52/02/1017315202.db2.gz HTMBBPWMOKUQHK-WTTBNOFXSA-N 1 2 363.383 2.964 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCC2(F)F)C3)c(F)c1 ZINC001097304989 1017315209 /nfs/dbraw/zinc/31/52/09/1017315209.db2.gz HTMBBPWMOKUQHK-WTTBNOFXSA-N 1 2 363.383 2.964 20 30 FFEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@]3(C)c3ccccc3)C2)CC1 ZINC001052053310 1017316790 /nfs/dbraw/zinc/31/67/90/1017316790.db2.gz JOTNCBXOHJWEKH-FUPPJEDESA-N 1 2 367.537 2.759 20 30 FFEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C)c3)C2)CC1 ZINC001052097195 1017321548 /nfs/dbraw/zinc/32/15/48/1017321548.db2.gz VKSFMDUDKBROGR-BHIFYINESA-N 1 2 367.537 2.893 20 30 FFEDLO CC[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1cccc(C#N)c1O ZINC000924637634 1017387408 /nfs/dbraw/zinc/38/74/08/1017387408.db2.gz UGNOYVXSAYYTPO-GOSISDBHSA-N 1 2 352.438 2.736 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3oc4c(cccc4C)c3C)[C@@H]2C1 ZINC001222048430 1032697385 /nfs/dbraw/zinc/69/73/85/1032697385.db2.gz JUCJOESHRANJJS-IEBWSBKVSA-N 1 2 366.461 2.846 20 30 FFEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3oc4c(cccc4C)c3C)[C@@H]2C1 ZINC001222048430 1032697398 /nfs/dbraw/zinc/69/73/98/1032697398.db2.gz JUCJOESHRANJJS-IEBWSBKVSA-N 1 2 366.461 2.846 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]nc1-c1ccncc1)C2 ZINC001097427075 1017464708 /nfs/dbraw/zinc/46/47/08/1017464708.db2.gz YZPIBRQDIKYTDW-BMFZPTHFSA-N 1 2 357.845 2.559 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]nc1-c1ccncc1)C2 ZINC001097427075 1017464716 /nfs/dbraw/zinc/46/47/16/1017464716.db2.gz YZPIBRQDIKYTDW-BMFZPTHFSA-N 1 2 357.845 2.559 20 30 FFEDLO C[NH+](C)Cc1csc(CNC(=O)NC2(c3ccc(C#N)cc3)CCC2)n1 ZINC000924786541 1017480796 /nfs/dbraw/zinc/48/07/96/1017480796.db2.gz UNZPMJSSMUPTKE-UHFFFAOYSA-N 1 2 369.494 2.955 20 30 FFEDLO CCc1nnsc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001097467397 1017507718 /nfs/dbraw/zinc/50/77/18/1017507718.db2.gz UAHXAIKRPRGXBI-OIISXLGYSA-N 1 2 367.478 2.507 20 30 FFEDLO CCc1nnsc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001097467397 1017507730 /nfs/dbraw/zinc/50/77/30/1017507730.db2.gz UAHXAIKRPRGXBI-OIISXLGYSA-N 1 2 367.478 2.507 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3ccc(F)cc3O1)C2 ZINC001097546338 1017590746 /nfs/dbraw/zinc/59/07/46/1017590746.db2.gz JWACYERXNCNIME-WCXIOVBPSA-N 1 2 364.848 2.993 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3ccc(F)cc3O1)C2 ZINC001097546338 1017590754 /nfs/dbraw/zinc/59/07/54/1017590754.db2.gz JWACYERXNCNIME-WCXIOVBPSA-N 1 2 364.848 2.993 20 30 FFEDLO C=CCCC[C@H](C)NC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000678886269 1017723843 /nfs/dbraw/zinc/72/38/43/1017723843.db2.gz NCCHDKBXSGZZNS-INIZCTEOSA-N 1 2 358.486 2.941 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[C@H]4C[C@H]4C2)C3)c1 ZINC001097684124 1017791369 /nfs/dbraw/zinc/79/13/69/1017791369.db2.gz UZAPTZXDWPLTGJ-LXOMMNJMSA-N 1 2 353.441 2.965 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[C@H]4C[C@H]4C2)C3)c1 ZINC001097684124 1017791382 /nfs/dbraw/zinc/79/13/82/1017791382.db2.gz UZAPTZXDWPLTGJ-LXOMMNJMSA-N 1 2 353.441 2.965 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(F)ccc2F)c1 ZINC001097812390 1017974460 /nfs/dbraw/zinc/97/44/60/1017974460.db2.gz ILZXNIORXUOMCT-RLLQIKCJSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(F)ccc2F)c1 ZINC001097812390 1017974470 /nfs/dbraw/zinc/97/44/70/1017974470.db2.gz ILZXNIORXUOMCT-RLLQIKCJSA-N 1 2 367.399 2.876 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1 ZINC001110934658 1018710736 /nfs/dbraw/zinc/71/07/36/1018710736.db2.gz JZGIIZPJRIFONH-OWYHZJEWSA-N 1 2 355.482 2.949 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1 ZINC001110934658 1018710744 /nfs/dbraw/zinc/71/07/44/1018710744.db2.gz JZGIIZPJRIFONH-OWYHZJEWSA-N 1 2 355.482 2.949 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001096146296 1018848364 /nfs/dbraw/zinc/84/83/64/1018848364.db2.gz VSIUTRQCAQCCPN-IMPIEMTGSA-N 1 2 361.511 2.654 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001096146296 1018848380 /nfs/dbraw/zinc/84/83/80/1018848380.db2.gz VSIUTRQCAQCCPN-IMPIEMTGSA-N 1 2 361.511 2.654 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000682528159 1018859786 /nfs/dbraw/zinc/85/97/86/1018859786.db2.gz QQCICZBCMHBPEA-GDBMZVCRSA-N 1 2 357.429 2.671 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000682528159 1018859799 /nfs/dbraw/zinc/85/97/99/1018859799.db2.gz QQCICZBCMHBPEA-GDBMZVCRSA-N 1 2 357.429 2.671 20 30 FFEDLO Cn1cncc1/C=C1\CC2(CCOCC2)C/C(=C/c2c[nH+]cn2C)C1=O ZINC000901480283 1019133325 /nfs/dbraw/zinc/13/33/25/1019133325.db2.gz AOSZLLZNEWBTBD-BSHIDLADSA-N 1 2 352.438 2.780 20 30 FFEDLO Cn1cncc1/C=C1/CC2(CCOCC2)C/C(=C\c2c[nH+]cn2C)C1=O ZINC000901480283 1019133331 /nfs/dbraw/zinc/13/33/31/1019133331.db2.gz AOSZLLZNEWBTBD-BSHIDLADSA-N 1 2 352.438 2.780 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1Cl ZINC000777737996 1019231116 /nfs/dbraw/zinc/23/11/16/1019231116.db2.gz QSZHZZSRRHYRRX-LJQANCHMSA-N 1 2 373.815 2.883 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1Cl ZINC000777737996 1019231124 /nfs/dbraw/zinc/23/11/24/1019231124.db2.gz QSZHZZSRRHYRRX-LJQANCHMSA-N 1 2 373.815 2.883 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2ccco2)C3)c(F)c1 ZINC001098078853 1019340246 /nfs/dbraw/zinc/34/02/46/1019340246.db2.gz QYVUXIHWDJGYHO-LZQZEXGQSA-N 1 2 353.397 2.755 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2ccco2)C3)c(F)c1 ZINC001098078853 1019340255 /nfs/dbraw/zinc/34/02/55/1019340255.db2.gz QYVUXIHWDJGYHO-LZQZEXGQSA-N 1 2 353.397 2.755 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1ccc(C)o1 ZINC001110967100 1019384305 /nfs/dbraw/zinc/38/43/05/1019384305.db2.gz RWDKQOQVJYOFJZ-QRQLOZEOSA-N 1 2 373.497 2.624 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1ccc(C)o1 ZINC001110967100 1019384321 /nfs/dbraw/zinc/38/43/21/1019384321.db2.gz RWDKQOQVJYOFJZ-QRQLOZEOSA-N 1 2 373.497 2.624 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)ccn1 ZINC001096210870 1019390670 /nfs/dbraw/zinc/39/06/70/1019390670.db2.gz SUWUGDKXRKAXJW-HOJAQTOUSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)ccn1 ZINC001096210870 1019390683 /nfs/dbraw/zinc/39/06/83/1019390683.db2.gz SUWUGDKXRKAXJW-HOJAQTOUSA-N 1 2 364.424 2.936 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)c1cccnn1 ZINC001096221861 1019456013 /nfs/dbraw/zinc/45/60/13/1019456013.db2.gz UFCAPHKZFVXHCO-NEWSRXKRSA-N 1 2 366.852 2.517 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)c1cccnn1 ZINC001096221861 1019456020 /nfs/dbraw/zinc/45/60/20/1019456020.db2.gz UFCAPHKZFVXHCO-NEWSRXKRSA-N 1 2 366.852 2.517 20 30 FFEDLO COc1cc[nH+]cc1CC(=O)N1C[C@@H](C)[C@H](Nc2cccc(F)c2C#N)C1 ZINC001043594810 1019530785 /nfs/dbraw/zinc/53/07/85/1019530785.db2.gz UXONHLZVLJVTQG-FZKQIMNGSA-N 1 2 368.412 2.602 20 30 FFEDLO Cc1cnoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001096271889 1019760555 /nfs/dbraw/zinc/76/05/55/1019760555.db2.gz GKFQMZPHPAXKAK-SQNIBIBYSA-N 1 2 353.397 2.509 20 30 FFEDLO Cc1cnoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001096271889 1019760572 /nfs/dbraw/zinc/76/05/72/1019760572.db2.gz GKFQMZPHPAXKAK-SQNIBIBYSA-N 1 2 353.397 2.509 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ocnc1C1CC1 ZINC001096008610 1019817037 /nfs/dbraw/zinc/81/70/37/1019817037.db2.gz ZBLIAYFSOGQWED-QYZOEREBSA-N 1 2 361.445 2.939 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ocnc1C1CC1 ZINC001096008610 1019817053 /nfs/dbraw/zinc/81/70/53/1019817053.db2.gz ZBLIAYFSOGQWED-QYZOEREBSA-N 1 2 361.445 2.939 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001096035680 1020022210 /nfs/dbraw/zinc/02/22/10/1020022210.db2.gz MHGUSKPUFGJBEX-CJGGRQNCSA-N 1 2 369.440 2.510 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001096035680 1020022223 /nfs/dbraw/zinc/02/22/23/1020022223.db2.gz MHGUSKPUFGJBEX-CJGGRQNCSA-N 1 2 369.440 2.510 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3c[nH]c4ccccc43)n2CC(=C)C)CC1 ZINC000802553500 1020219754 /nfs/dbraw/zinc/21/97/54/1020219754.db2.gz BQIBLWOJQSIXEL-UHFFFAOYSA-N 1 2 360.465 2.758 20 30 FFEDLO Cn1ccc([C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)n1 ZINC000932139060 1020720851 /nfs/dbraw/zinc/72/08/51/1020720851.db2.gz ZWYRMBOKKDDVSN-OAHLLOKOSA-N 1 2 369.494 2.854 20 30 FFEDLO Cn1ccc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)n1 ZINC000932139060 1020720858 /nfs/dbraw/zinc/72/08/58/1020720858.db2.gz ZWYRMBOKKDDVSN-OAHLLOKOSA-N 1 2 369.494 2.854 20 30 FFEDLO CC(C)n1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)cn1 ZINC001098199405 1020725011 /nfs/dbraw/zinc/72/50/11/1020725011.db2.gz XNXKZKOSQKKXOG-AQNXPRMDSA-N 1 2 363.465 2.871 20 30 FFEDLO CC(C)n1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)cn1 ZINC001098199405 1020725019 /nfs/dbraw/zinc/72/50/19/1020725019.db2.gz XNXKZKOSQKKXOG-AQNXPRMDSA-N 1 2 363.465 2.871 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC001046632146 1020732232 /nfs/dbraw/zinc/73/22/32/1020732232.db2.gz SUVZWNKHPBGAHW-GUXCAODWSA-N 1 2 371.437 2.606 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC001046632146 1020732237 /nfs/dbraw/zinc/73/22/37/1020732237.db2.gz SUVZWNKHPBGAHW-GUXCAODWSA-N 1 2 371.437 2.606 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC001046635640 1020736478 /nfs/dbraw/zinc/73/64/78/1020736478.db2.gz ZBMVXIVQLXQJDN-SIFCLUCFSA-N 1 2 361.486 2.644 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC001046635640 1020736483 /nfs/dbraw/zinc/73/64/83/1020736483.db2.gz ZBMVXIVQLXQJDN-SIFCLUCFSA-N 1 2 361.486 2.644 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ncc2n1CCCC2 ZINC001098439513 1020909031 /nfs/dbraw/zinc/90/90/31/1020909031.db2.gz FDOGZRWRUQDTNY-NRSPTQNISA-N 1 2 374.488 2.606 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ncc2n1CCCC2 ZINC001098439513 1020909033 /nfs/dbraw/zinc/90/90/33/1020909033.db2.gz FDOGZRWRUQDTNY-NRSPTQNISA-N 1 2 374.488 2.606 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1cccc(OC)c1)C2 ZINC001111050968 1020966328 /nfs/dbraw/zinc/96/63/28/1020966328.db2.gz YKKFJGFRZYQIEK-XYPHTWIQSA-N 1 2 350.846 2.548 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1cccc(OC)c1)C2 ZINC001111050968 1020966329 /nfs/dbraw/zinc/96/63/29/1020966329.db2.gz YKKFJGFRZYQIEK-XYPHTWIQSA-N 1 2 350.846 2.548 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COc3ccccc31)C2 ZINC001098494280 1020966490 /nfs/dbraw/zinc/96/64/90/1020966490.db2.gz CDVLRSXIVKCJPW-PMXSJFBMSA-N 1 2 373.456 2.956 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COc3ccccc31)C2 ZINC001098494280 1020966493 /nfs/dbraw/zinc/96/64/93/1020966493.db2.gz CDVLRSXIVKCJPW-PMXSJFBMSA-N 1 2 373.456 2.956 20 30 FFEDLO COC[C@@H]1CC[C@@H]([C@@H]2COCC[N@@H+]2Cc2ccccc2C(C)(C)C#N)O1 ZINC000933196643 1020975388 /nfs/dbraw/zinc/97/53/88/1020975388.db2.gz HPOUCACXPXOAGJ-IHPCNDPISA-N 1 2 358.482 2.883 20 30 FFEDLO COC[C@@H]1CC[C@@H]([C@@H]2COCC[N@H+]2Cc2ccccc2C(C)(C)C#N)O1 ZINC000933196643 1020975393 /nfs/dbraw/zinc/97/53/93/1020975393.db2.gz HPOUCACXPXOAGJ-IHPCNDPISA-N 1 2 358.482 2.883 20 30 FFEDLO COc1ccc(OC)c([C@H](O)C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 ZINC000933625446 1021051846 /nfs/dbraw/zinc/05/18/46/1021051846.db2.gz SRHMWGPZAOBBLU-TZIWHRDSSA-N 1 2 368.433 2.682 20 30 FFEDLO COc1ccc(OC)c([C@H](O)C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 ZINC000933625446 1021051852 /nfs/dbraw/zinc/05/18/52/1021051852.db2.gz SRHMWGPZAOBBLU-TZIWHRDSSA-N 1 2 368.433 2.682 20 30 FFEDLO CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC3(CC2)CC(=O)C=CO3)cc1 ZINC000933650305 1021058378 /nfs/dbraw/zinc/05/83/78/1021058378.db2.gz NBNFCVNSIGNQEQ-HNNXBMFYSA-N 1 2 358.438 2.750 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2c(C)noc2C)C1 ZINC001098724560 1021076469 /nfs/dbraw/zinc/07/64/69/1021076469.db2.gz CTVOLRYJUZNWCW-BBRMVZONSA-N 1 2 368.275 2.784 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2c(C)noc2C)C1 ZINC001098724560 1021076475 /nfs/dbraw/zinc/07/64/75/1021076475.db2.gz CTVOLRYJUZNWCW-BBRMVZONSA-N 1 2 368.275 2.784 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3c(C)noc3CC)C[C@@H]21 ZINC001218023356 1032958846 /nfs/dbraw/zinc/95/88/46/1032958846.db2.gz POMHJCQFMVLBAT-FUHWJXTLSA-N 1 2 361.486 2.559 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3c(C)noc3CC)C[C@@H]21 ZINC001218023356 1032958848 /nfs/dbraw/zinc/95/88/48/1032958848.db2.gz POMHJCQFMVLBAT-FUHWJXTLSA-N 1 2 361.486 2.559 20 30 FFEDLO CC(C)[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000778242797 1021213551 /nfs/dbraw/zinc/21/35/51/1021213551.db2.gz XQPAKCIMVNKCOS-YJBOKZPZSA-N 1 2 350.422 2.580 20 30 FFEDLO CC(C)[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000778242797 1021213556 /nfs/dbraw/zinc/21/35/56/1021213556.db2.gz XQPAKCIMVNKCOS-YJBOKZPZSA-N 1 2 350.422 2.580 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)Nc2cc(C)nn2-c2ccccc2F)C1 ZINC001116541509 1021273718 /nfs/dbraw/zinc/27/37/18/1021273718.db2.gz GVYUUCQSPONFML-HNNXBMFYSA-N 1 2 358.417 2.535 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](CC(=O)Nc2cc(C)nn2-c2ccccc2F)C1 ZINC001116541509 1021273728 /nfs/dbraw/zinc/27/37/28/1021273728.db2.gz GVYUUCQSPONFML-HNNXBMFYSA-N 1 2 358.417 2.535 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC001116542841 1021276182 /nfs/dbraw/zinc/27/61/82/1021276182.db2.gz WWWPOKRNWAJCFG-LBPRGKRZSA-N 1 2 357.223 2.804 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC001116542841 1021276191 /nfs/dbraw/zinc/27/61/91/1021276191.db2.gz WWWPOKRNWAJCFG-LBPRGKRZSA-N 1 2 357.223 2.804 20 30 FFEDLO CN(C)c1ccc(NC(=O)CC[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC001116760087 1021399589 /nfs/dbraw/zinc/39/95/89/1021399589.db2.gz DRBZJDKZTLFGIU-UHFFFAOYSA-N 1 2 364.449 2.716 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2csc(C)n2)C3)c1 ZINC001099020778 1021612485 /nfs/dbraw/zinc/61/24/85/1021612485.db2.gz BHKIASZZLRKNGF-PXNSSMCTSA-N 1 2 366.490 2.612 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2csc(C)n2)C3)c1 ZINC001099020778 1021612487 /nfs/dbraw/zinc/61/24/87/1021612487.db2.gz BHKIASZZLRKNGF-PXNSSMCTSA-N 1 2 366.490 2.612 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2nsc3ccccc23)C1 ZINC001014471830 1021845993 /nfs/dbraw/zinc/84/59/93/1021845993.db2.gz RVKHOIRSVBAPGW-KYJSFNMBSA-N 1 2 371.506 2.968 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2nsc3ccccc23)C1 ZINC001014471830 1021846008 /nfs/dbraw/zinc/84/60/08/1021846008.db2.gz RVKHOIRSVBAPGW-KYJSFNMBSA-N 1 2 371.506 2.968 20 30 FFEDLO CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001099200759 1022067187 /nfs/dbraw/zinc/06/71/87/1022067187.db2.gz KTGVUASJKBKWRS-HUUCEWRRSA-N 1 2 357.351 2.976 20 30 FFEDLO COC(=O)[C@@H]1C[C@H](Oc2ccccc2/C=C/C(=O)c2ccccc2)C[NH2+]1 ZINC001218174504 1033028971 /nfs/dbraw/zinc/02/89/71/1033028971.db2.gz FXXXBYGGYNYKMO-JWSDNSILSA-N 1 2 351.402 2.865 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H](O[NH+]=C(N)c3ccc(F)cc3)C2=O)cc1 ZINC000778587585 1022136820 /nfs/dbraw/zinc/13/68/20/1022136820.db2.gz DOKLPNOHMBLKCE-QGZVFWFLSA-N 1 2 352.369 2.530 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3nocc3C)C2)C1 ZINC001099305802 1022264296 /nfs/dbraw/zinc/26/42/96/1022264296.db2.gz ZGHUIWAJJXQEEC-TZMCWYRMSA-N 1 2 357.376 2.818 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CCCCC)C(C)C)C2 ZINC001111247193 1022644789 /nfs/dbraw/zinc/64/47/89/1022644789.db2.gz MNGIYBWEBRKTQF-HCXYKTFWSA-N 1 2 363.546 2.863 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CCCCC)C(C)C)C2 ZINC001111247193 1022644792 /nfs/dbraw/zinc/64/47/92/1022644792.db2.gz MNGIYBWEBRKTQF-HCXYKTFWSA-N 1 2 363.546 2.863 20 30 FFEDLO C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001119316759 1022677682 /nfs/dbraw/zinc/67/76/82/1022677682.db2.gz FHVNVOKHUTYZGX-HNNXBMFYSA-N 1 2 360.421 2.886 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1c(C)noc1CC ZINC001038800774 1022714966 /nfs/dbraw/zinc/71/49/66/1022714966.db2.gz UZEQAXBJWHEMEV-GJYPPUQNSA-N 1 2 361.486 2.607 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1c(C)noc1CC ZINC001038800774 1022714976 /nfs/dbraw/zinc/71/49/76/1022714976.db2.gz UZEQAXBJWHEMEV-GJYPPUQNSA-N 1 2 361.486 2.607 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039652595 1022774386 /nfs/dbraw/zinc/77/43/86/1022774386.db2.gz GUDSWTAMEBFJIB-CGXNFDGLSA-N 1 2 367.493 2.939 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039652595 1022774396 /nfs/dbraw/zinc/77/43/96/1022774396.db2.gz GUDSWTAMEBFJIB-CGXNFDGLSA-N 1 2 367.493 2.939 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039923507 1022786686 /nfs/dbraw/zinc/78/66/86/1022786686.db2.gz UZTMGMIUYFDJEZ-MHTWAQMVSA-N 1 2 365.477 2.715 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039923507 1022786697 /nfs/dbraw/zinc/78/66/97/1022786697.db2.gz UZTMGMIUYFDJEZ-MHTWAQMVSA-N 1 2 365.477 2.715 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001095792394 1022881698 /nfs/dbraw/zinc/88/16/98/1022881698.db2.gz SWQRCHSHZZHIHZ-CJGGRQNCSA-N 1 2 371.456 2.734 20 30 FFEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001095792394 1022881717 /nfs/dbraw/zinc/88/17/17/1022881717.db2.gz SWQRCHSHZZHIHZ-CJGGRQNCSA-N 1 2 371.456 2.734 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC001119723265 1022955175 /nfs/dbraw/zinc/95/51/75/1022955175.db2.gz PPJKBQMMQUXLDX-HUUCEWRRSA-N 1 2 362.499 2.923 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC001119723265 1022955191 /nfs/dbraw/zinc/95/51/91/1022955191.db2.gz PPJKBQMMQUXLDX-HUUCEWRRSA-N 1 2 362.499 2.923 20 30 FFEDLO N#Cc1cncc(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC001119843191 1023126711 /nfs/dbraw/zinc/12/67/11/1023126711.db2.gz BMYJRMYOOHFUBI-UHFFFAOYSA-N 1 2 368.388 2.536 20 30 FFEDLO N#Cc1cncc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC001119843191 1023126717 /nfs/dbraw/zinc/12/67/17/1023126717.db2.gz BMYJRMYOOHFUBI-UHFFFAOYSA-N 1 2 368.388 2.536 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000076227434 1023259833 /nfs/dbraw/zinc/25/98/33/1023259833.db2.gz XMJDJOGUEUKELR-ZHACJKMWSA-N 1 2 361.445 2.924 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC(F)(F)CC[C@H]1C ZINC001122489945 1023300772 /nfs/dbraw/zinc/30/07/72/1023300772.db2.gz CGRXNLBKAYYTPV-CYBMUJFWSA-N 1 2 350.417 2.803 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001122625317 1023375737 /nfs/dbraw/zinc/37/57/37/1023375737.db2.gz FJJRRTUWIFWJBK-QZTJIDSGSA-N 1 2 359.518 2.845 20 30 FFEDLO C=CCN(c1nnc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC(=C)C)C1CC1 ZINC001122627512 1023377428 /nfs/dbraw/zinc/37/74/28/1023377428.db2.gz XPRBSZMTQOCHJO-QZTJIDSGSA-N 1 2 357.502 2.935 20 30 FFEDLO C=CCN(c1nnc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC(=C)C)C1CC1 ZINC001122627512 1023377434 /nfs/dbraw/zinc/37/74/34/1023377434.db2.gz XPRBSZMTQOCHJO-QZTJIDSGSA-N 1 2 357.502 2.935 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001122629583 1023378907 /nfs/dbraw/zinc/37/89/07/1023378907.db2.gz MKFBASZWEMMKAT-KSZLIROESA-N 1 2 359.518 2.872 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001122629583 1023378911 /nfs/dbraw/zinc/37/89/11/1023378911.db2.gz MKFBASZWEMMKAT-KSZLIROESA-N 1 2 359.518 2.872 20 30 FFEDLO Cc1nc(N2CCN(C(=O)C#Cc3ccc(C(F)(F)F)cc3)CC2)cc[nH+]1 ZINC000190232760 1023599467 /nfs/dbraw/zinc/59/94/67/1023599467.db2.gz IXFAAAQEWWEMOU-UHFFFAOYSA-N 1 2 374.366 2.504 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)CCC(C)=C(C)C1)C2 ZINC001111479156 1023610653 /nfs/dbraw/zinc/61/06/53/1023610653.db2.gz IWPMJJDPZMRQBX-WIRSXHRWSA-N 1 2 359.514 2.537 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)CCC(C)=C(C)C1)C2 ZINC001111479156 1023610657 /nfs/dbraw/zinc/61/06/57/1023610657.db2.gz IWPMJJDPZMRQBX-WIRSXHRWSA-N 1 2 359.514 2.537 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)nc1-c1ccoc1)C2 ZINC001095808027 1023648934 /nfs/dbraw/zinc/64/89/34/1023648934.db2.gz QEDALDJGFPSTMN-KBMXLJTQSA-N 1 2 360.845 2.768 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)nc1-c1ccoc1)C2 ZINC001095808027 1023648937 /nfs/dbraw/zinc/64/89/37/1023648937.db2.gz QEDALDJGFPSTMN-KBMXLJTQSA-N 1 2 360.845 2.768 20 30 FFEDLO CCN(Cc1ccccc1)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001121416055 1023761782 /nfs/dbraw/zinc/76/17/82/1023761782.db2.gz ZDPBIADVDGSQQN-UHFFFAOYSA-N 1 2 352.486 2.935 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CC1 ZINC001111313484 1023816149 /nfs/dbraw/zinc/81/61/49/1023816149.db2.gz GNXHKCXCUUSLCC-QRVBRYPASA-N 1 2 363.546 2.985 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CC1 ZINC001111313484 1023816153 /nfs/dbraw/zinc/81/61/53/1023816153.db2.gz GNXHKCXCUUSLCC-QRVBRYPASA-N 1 2 363.546 2.985 20 30 FFEDLO CCCCCCCOc1cccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000779432797 1023847899 /nfs/dbraw/zinc/84/78/99/1023847899.db2.gz IWFVNLCTZDZAFG-GOSISDBHSA-N 1 2 359.470 2.772 20 30 FFEDLO CCCCCCCOc1cccc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000779432797 1023847904 /nfs/dbraw/zinc/84/79/04/1023847904.db2.gz IWFVNLCTZDZAFG-GOSISDBHSA-N 1 2 359.470 2.772 20 30 FFEDLO CC(C)=C(C)CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001218461635 1033166652 /nfs/dbraw/zinc/16/66/52/1033166652.db2.gz HLVXHJAAKVXKLJ-LEWJYISDSA-N 1 2 370.468 2.835 20 30 FFEDLO CC(C)=C(C)CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001218461635 1033166660 /nfs/dbraw/zinc/16/66/60/1033166660.db2.gz HLVXHJAAKVXKLJ-LEWJYISDSA-N 1 2 370.468 2.835 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)[C@H]1CC[C@H]1OC ZINC001121591213 1023868175 /nfs/dbraw/zinc/86/81/75/1023868175.db2.gz WSTUUIWHOMUPIQ-GVDBMIGSSA-N 1 2 358.490 2.910 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001121622493 1023886677 /nfs/dbraw/zinc/88/66/77/1023886677.db2.gz ALDXDSSCWPCGJR-UHFFFAOYSA-N 1 2 369.517 3.000 20 30 FFEDLO C=CCn1c([C@H](CC)OCC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001121644290 1023900033 /nfs/dbraw/zinc/90/00/33/1023900033.db2.gz OLLDKYQJAJMBQP-INIZCTEOSA-N 1 2 356.474 2.673 20 30 FFEDLO CC[C@@H]1CN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC)CCS1 ZINC001121712241 1023940855 /nfs/dbraw/zinc/94/08/55/1023940855.db2.gz JTKVAHTUAJVHKK-MRXNPFEDSA-N 1 2 362.547 2.723 20 30 FFEDLO CC(C)n1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)c1 ZINC001095816043 1023995779 /nfs/dbraw/zinc/99/57/79/1023995779.db2.gz RVFQLKQUIPEISU-DYXWJJEUSA-N 1 2 362.477 2.851 20 30 FFEDLO CC(C)n1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)c1 ZINC001095816043 1023995791 /nfs/dbraw/zinc/99/57/91/1023995791.db2.gz RVFQLKQUIPEISU-DYXWJJEUSA-N 1 2 362.477 2.851 20 30 FFEDLO O=C(CCCC1CC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001218497667 1033182794 /nfs/dbraw/zinc/18/27/94/1033182794.db2.gz KIXLPGAJDLUHDR-LEWJYISDSA-N 1 2 370.468 2.669 20 30 FFEDLO O=C(CCCC1CC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001218497667 1033182800 /nfs/dbraw/zinc/18/28/00/1033182800.db2.gz KIXLPGAJDLUHDR-LEWJYISDSA-N 1 2 370.468 2.669 20 30 FFEDLO N#Cc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)CCCC4CC4)[C@H]3C2)ccc1F ZINC001218498037 1033182902 /nfs/dbraw/zinc/18/29/02/1033182902.db2.gz MFTJLHONXJWUHZ-VQTJNVASSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)CCCC4CC4)[C@H]3C2)ccc1F ZINC001218498037 1033182914 /nfs/dbraw/zinc/18/29/14/1033182914.db2.gz MFTJLHONXJWUHZ-VQTJNVASSA-N 1 2 371.456 2.689 20 30 FFEDLO CC(C)c1noc(C[N@@H+]2C[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@]3(C)C2)n1 ZINC001101229123 1024135864 /nfs/dbraw/zinc/13/58/64/1024135864.db2.gz KSJXZIAETCUSGO-QRWLVFNGSA-N 1 2 358.486 2.523 20 30 FFEDLO CC(C)c1noc(C[N@H+]2C[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@]3(C)C2)n1 ZINC001101229123 1024135873 /nfs/dbraw/zinc/13/58/73/1024135873.db2.gz KSJXZIAETCUSGO-QRWLVFNGSA-N 1 2 358.486 2.523 20 30 FFEDLO C=C[C@@H](C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001123964905 1024184395 /nfs/dbraw/zinc/18/43/95/1024184395.db2.gz XRYLRULZFGJQIX-GOSISDBHSA-N 1 2 358.482 2.879 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001218523386 1033198391 /nfs/dbraw/zinc/19/83/91/1033198391.db2.gz MAXAFESJVMEIAQ-UIAACRFSSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001218523386 1033198399 /nfs/dbraw/zinc/19/83/99/1033198399.db2.gz MAXAFESJVMEIAQ-UIAACRFSSA-N 1 2 371.456 2.711 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001101337004 1024484341 /nfs/dbraw/zinc/48/43/41/1024484341.db2.gz ZLJOJSYQQAPMCS-QKLQHJQFSA-N 1 2 359.518 2.742 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001101337004 1024484350 /nfs/dbraw/zinc/48/43/50/1024484350.db2.gz ZLJOJSYQQAPMCS-QKLQHJQFSA-N 1 2 359.518 2.742 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+]([C@@H](C)c4nnc(C)[nH]4)C[C@@]3(C)C2)CCC1 ZINC001101356308 1024536038 /nfs/dbraw/zinc/53/60/38/1024536038.db2.gz OZKYWWJFDOLSII-GMBSWORKSA-N 1 2 357.502 2.701 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+]([C@@H](C)c4nnc(C)[nH]4)C[C@@]3(C)C2)CCC1 ZINC001101356308 1024536046 /nfs/dbraw/zinc/53/60/46/1024536046.db2.gz OZKYWWJFDOLSII-GMBSWORKSA-N 1 2 357.502 2.701 20 30 FFEDLO CCOC(=O)c1ccc(-n2c(C)cc(C=NNC3=[NH+]C[C@H](C)N3)c2C)cc1 ZINC000779803879 1024706603 /nfs/dbraw/zinc/70/66/03/1024706603.db2.gz ZTSKSIZWULTSSC-ZDUSSCGKSA-N 1 2 367.453 2.542 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCc1nc(C(C)C)no1)C2 ZINC001111403615 1025178784 /nfs/dbraw/zinc/17/87/84/1025178784.db2.gz BBJDQZWHAUOMAE-KFWWJZLASA-N 1 2 366.893 2.990 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCc1nc(C(C)C)no1)C2 ZINC001111403615 1025178787 /nfs/dbraw/zinc/17/87/87/1025178787.db2.gz BBJDQZWHAUOMAE-KFWWJZLASA-N 1 2 366.893 2.990 20 30 FFEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000779877103 1025183914 /nfs/dbraw/zinc/18/39/14/1025183914.db2.gz LGMNVCJJICCREH-FQEVSTJZSA-N 1 2 368.437 2.750 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC000952931279 1025200408 /nfs/dbraw/zinc/20/04/08/1025200408.db2.gz WFYQEJBOQWMTEG-WHSLLNHNSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC000952931279 1025200416 /nfs/dbraw/zinc/20/04/16/1025200416.db2.gz WFYQEJBOQWMTEG-WHSLLNHNSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2noc(-c3ccoc3)n2)C[C@H]1C ZINC001102010712 1025290201 /nfs/dbraw/zinc/29/02/01/1025290201.db2.gz LJFLMNZHWVTNIA-GDBMZVCRSA-N 1 2 358.442 2.870 20 30 FFEDLO C=C(C)CCC(=O)NC[C@@H]1C[N@H+](Cc2noc(-c3ccoc3)n2)C[C@H]1C ZINC001102010712 1025290212 /nfs/dbraw/zinc/29/02/12/1025290212.db2.gz LJFLMNZHWVTNIA-GDBMZVCRSA-N 1 2 358.442 2.870 20 30 FFEDLO N#Cc1c(N)sc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)c1Cl ZINC001141113557 1025474418 /nfs/dbraw/zinc/47/44/18/1025474418.db2.gz KGRRKNNBQKZVGN-LLVKDONJSA-N 1 2 352.891 2.736 20 30 FFEDLO N#Cc1c(N)sc(C[N@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)c1Cl ZINC001141113557 1025474427 /nfs/dbraw/zinc/47/44/27/1025474427.db2.gz KGRRKNNBQKZVGN-LLVKDONJSA-N 1 2 352.891 2.736 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C(=O)OC)c(F)c2)c1 ZINC000089104013 1025478119 /nfs/dbraw/zinc/47/81/19/1025478119.db2.gz LOLUHPXSTGHMLR-UHFFFAOYSA-N 1 2 354.381 2.664 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C(=O)OC)c(F)c2)c1 ZINC000089104013 1025478129 /nfs/dbraw/zinc/47/81/29/1025478129.db2.gz LOLUHPXSTGHMLR-UHFFFAOYSA-N 1 2 354.381 2.664 20 30 FFEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001141155195 1025536278 /nfs/dbraw/zinc/53/62/78/1025536278.db2.gz GEUFBIPYDZICPT-UHFFFAOYSA-N 1 2 352.337 2.677 20 30 FFEDLO C=CCCC1(C(=O)NC[C@@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)C[C@H]2C)CC1 ZINC001102326172 1025753175 /nfs/dbraw/zinc/75/31/75/1025753175.db2.gz LGFVHULVEZYBMN-HZPDHXFCSA-N 1 2 359.518 2.859 20 30 FFEDLO C=CCCC1(C(=O)NC[C@@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)C[C@H]2C)CC1 ZINC001102326172 1025753189 /nfs/dbraw/zinc/75/31/89/1025753189.db2.gz LGFVHULVEZYBMN-HZPDHXFCSA-N 1 2 359.518 2.859 20 30 FFEDLO C[C@@H](C(=O)[C@H](C#N)c1nnc2n1CCCCC2)[N@@H+]1CCc2ccccc2C1 ZINC000089967349 1025894587 /nfs/dbraw/zinc/89/45/87/1025894587.db2.gz GTHLXYGRQKVWPD-YJBOKZPZSA-N 1 2 363.465 2.628 20 30 FFEDLO C[C@@H](C(=O)[C@H](C#N)c1nnc2n1CCCCC2)[N@H+]1CCc2ccccc2C1 ZINC000089967349 1025894610 /nfs/dbraw/zinc/89/46/10/1025894610.db2.gz GTHLXYGRQKVWPD-YJBOKZPZSA-N 1 2 363.465 2.628 20 30 FFEDLO C[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C ZINC000838912070 1026534922 /nfs/dbraw/zinc/53/49/22/1026534922.db2.gz DODDYHBTNOCOBB-LBPRGKRZSA-N 1 2 350.378 2.836 20 30 FFEDLO C#C[C@@H]1COCCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000839070062 1026575104 /nfs/dbraw/zinc/57/51/04/1026575104.db2.gz IDGXOICFBBRCGL-QGZVFWFLSA-N 1 2 350.422 2.752 20 30 FFEDLO C=C[C@](C)(O)CC(=O)NCC[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001102921572 1026787345 /nfs/dbraw/zinc/78/73/45/1026787345.db2.gz MXPUTCFCFBFRIM-XNJGSVPQSA-N 1 2 371.934 2.698 20 30 FFEDLO C=C[C@](C)(O)CC(=O)NCC[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001102921572 1026787348 /nfs/dbraw/zinc/78/73/48/1026787348.db2.gz MXPUTCFCFBFRIM-XNJGSVPQSA-N 1 2 371.934 2.698 20 30 FFEDLO C=CCN1CCN(C[N@H+](Cc2ccc(OC)cc2OC)CC2CC2)C1=O ZINC000840065848 1026940438 /nfs/dbraw/zinc/94/04/38/1026940438.db2.gz SUYIEXCTOIJABZ-UHFFFAOYSA-N 1 2 359.470 2.797 20 30 FFEDLO C=CCN1CCN(C[N@@H+](Cc2ccc(OC)cc2OC)CC2CC2)C1=O ZINC000840065848 1026940441 /nfs/dbraw/zinc/94/04/41/1026940441.db2.gz SUYIEXCTOIJABZ-UHFFFAOYSA-N 1 2 359.470 2.797 20 30 FFEDLO CC#CC[NH2+]Cc1cn(Cc2csc(-c3ccc(OCC)cc3)n2)nn1 ZINC000640835282 1026962910 /nfs/dbraw/zinc/96/29/10/1026962910.db2.gz DANBDGQTIJZNRO-UHFFFAOYSA-N 1 2 367.478 2.962 20 30 FFEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N[C@H](CCC)c2ccccc2)nn1 ZINC000640855520 1026978915 /nfs/dbraw/zinc/97/89/15/1026978915.db2.gz QZWRXSHEELDFNV-VQIMIIECSA-N 1 2 353.470 2.610 20 30 FFEDLO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC001141813424 1027008152 /nfs/dbraw/zinc/00/81/52/1027008152.db2.gz NFSNRXHXVIWHLS-CYBMUJFWSA-N 1 2 350.260 2.621 20 30 FFEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC001141813424 1027008157 /nfs/dbraw/zinc/00/81/57/1027008157.db2.gz NFSNRXHXVIWHLS-CYBMUJFWSA-N 1 2 350.260 2.621 20 30 FFEDLO N#Cc1c(F)ccnc1N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001158586541 1027068932 /nfs/dbraw/zinc/06/89/32/1027068932.db2.gz QJGQIRCAPKTWAU-YJBOKZPZSA-N 1 2 368.412 2.963 20 30 FFEDLO COc1cccnc1O[C@H]1CC[N@H+](Cc2ccc(C#N)c(SC)n2)C1 ZINC001141945518 1027197920 /nfs/dbraw/zinc/19/79/20/1027197920.db2.gz BQHPUHZAUUPGJV-HNNXBMFYSA-N 1 2 356.451 2.732 20 30 FFEDLO COc1cccnc1O[C@H]1CC[N@@H+](Cc2ccc(C#N)c(SC)n2)C1 ZINC001141945518 1027197927 /nfs/dbraw/zinc/19/79/27/1027197927.db2.gz BQHPUHZAUUPGJV-HNNXBMFYSA-N 1 2 356.451 2.732 20 30 FFEDLO C=CCCC1(C(=O)NCC[C@@H]2C[N@H+](Cc3noc(CC)n3)C[C@H]2C)CC1 ZINC001103403091 1027409259 /nfs/dbraw/zinc/40/92/59/1027409259.db2.gz ZNSDBCBONBAKSS-HZPDHXFCSA-N 1 2 360.502 2.953 20 30 FFEDLO C=CCCC1(C(=O)NCC[C@@H]2C[N@@H+](Cc3noc(CC)n3)C[C@H]2C)CC1 ZINC001103403091 1027409263 /nfs/dbraw/zinc/40/92/63/1027409263.db2.gz ZNSDBCBONBAKSS-HZPDHXFCSA-N 1 2 360.502 2.953 20 30 FFEDLO CCOc1ccc(-c2noc(CO[NH+]=C(N)Cc3cccnc3)n2)cc1 ZINC000092916864 1027507551 /nfs/dbraw/zinc/50/75/51/1027507551.db2.gz ZBMLLJSEZXUMPE-UHFFFAOYSA-N 1 2 353.382 2.562 20 30 FFEDLO Cc1cc(C(=O)CO[NH+]=C(N)Cc2cccnc2)c(C)n1CC(F)(F)F ZINC000092916931 1027508072 /nfs/dbraw/zinc/50/80/72/1027508072.db2.gz UDCUYUOCZUPRKM-UHFFFAOYSA-N 1 2 368.359 2.776 20 30 FFEDLO N#Cc1cc(Cl)ncc1C(F)(F)NCC[NH+]1CCC(F)(F)CC1 ZINC001160752791 1027858058 /nfs/dbraw/zinc/85/80/58/1027858058.db2.gz UDJYNDGIAFBADR-UHFFFAOYSA-N 1 2 350.747 2.977 20 30 FFEDLO C=CCO[C@@H](C)C(=O)NCC[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001103769223 1028175328 /nfs/dbraw/zinc/17/53/28/1028175328.db2.gz QVQFELVISZJAKG-HZSPNIEDSA-N 1 2 371.934 2.962 20 30 FFEDLO C=CCO[C@@H](C)C(=O)NCC[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001103769223 1028175336 /nfs/dbraw/zinc/17/53/36/1028175336.db2.gz QVQFELVISZJAKG-HZSPNIEDSA-N 1 2 371.934 2.962 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(C#N)cn3)CC2)s1 ZINC000780659870 1028761423 /nfs/dbraw/zinc/76/14/23/1028761423.db2.gz XUYKGJCUHYKVAU-UHFFFAOYSA-N 1 2 369.494 2.605 20 30 FFEDLO C[C@@H](c1cccc(NC(=O)[C@H](O)c2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000780931427 1028878131 /nfs/dbraw/zinc/87/81/31/1028878131.db2.gz YWTJICFRJNVBMU-MGPUTAFESA-N 1 2 365.433 2.624 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccccc3)cs2)C[C@H]1C ZINC001206659855 1029065232 /nfs/dbraw/zinc/06/52/32/1029065232.db2.gz SNRYQEJNDYEIAW-SQWLQELKSA-N 1 2 354.479 2.906 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)cs2)C[C@H]1C ZINC001206659855 1029065237 /nfs/dbraw/zinc/06/52/37/1029065237.db2.gz SNRYQEJNDYEIAW-SQWLQELKSA-N 1 2 354.479 2.906 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2 ZINC001111662424 1029083259 /nfs/dbraw/zinc/08/32/59/1029083259.db2.gz WUNGGWRGEWXVMF-JTSKRJEESA-N 1 2 370.468 2.763 20 30 FFEDLO CC(C)(C)C(=O)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC#Cc1ccc(F)cc1)C2 ZINC001111662424 1029083271 /nfs/dbraw/zinc/08/32/71/1029083271.db2.gz WUNGGWRGEWXVMF-JTSKRJEESA-N 1 2 370.468 2.763 20 30 FFEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)cc1 ZINC000781352599 1029158735 /nfs/dbraw/zinc/15/87/35/1029158735.db2.gz XQEKWJXLZDWRAL-OAQYLSRUSA-N 1 2 362.408 2.975 20 30 FFEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)cc1 ZINC000781352599 1029158741 /nfs/dbraw/zinc/15/87/41/1029158741.db2.gz XQEKWJXLZDWRAL-OAQYLSRUSA-N 1 2 362.408 2.975 20 30 FFEDLO N#Cc1ccc2cc[nH+]c(N3CCN(c4nccnc4Cl)CC3)c2c1 ZINC001164205476 1029200480 /nfs/dbraw/zinc/20/04/80/1029200480.db2.gz SISNSACYAUSTGP-UHFFFAOYSA-N 1 2 350.813 2.876 20 30 FFEDLO N#CCc1ccc(OCc2ccc(N3CC[NH2+]CC(F)(F)C3)nc2)cc1 ZINC001164498699 1029300431 /nfs/dbraw/zinc/30/04/31/1029300431.db2.gz YIMIKZOFJASTCZ-UHFFFAOYSA-N 1 2 358.392 2.772 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(C3CC3)nn1C)C2 ZINC001111763014 1029378672 /nfs/dbraw/zinc/37/86/72/1029378672.db2.gz ZBJZDLYGNZCTPB-KKSFZXQISA-N 1 2 371.529 2.766 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(C3CC3)nn1C)C2 ZINC001111763014 1029378685 /nfs/dbraw/zinc/37/86/85/1029378685.db2.gz ZBJZDLYGNZCTPB-KKSFZXQISA-N 1 2 371.529 2.766 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C(C)C)n1C)C2 ZINC001111856002 1029626611 /nfs/dbraw/zinc/62/66/11/1029626611.db2.gz WLZTYUCNHSCYSN-JXFKEZNVSA-N 1 2 359.518 2.766 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C(C)C)n1C)C2 ZINC001111856002 1029626616 /nfs/dbraw/zinc/62/66/16/1029626616.db2.gz WLZTYUCNHSCYSN-JXFKEZNVSA-N 1 2 359.518 2.766 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H](C)[C@H](C)O1 ZINC000782629359 1029767651 /nfs/dbraw/zinc/76/76/51/1029767651.db2.gz RYLPKVLBGWAVIQ-ORIJERBGSA-N 1 2 350.422 2.721 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H](C)[C@H](C)O1 ZINC000782629359 1029767660 /nfs/dbraw/zinc/76/76/60/1029767660.db2.gz RYLPKVLBGWAVIQ-ORIJERBGSA-N 1 2 350.422 2.721 20 30 FFEDLO C#CCN(CC)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782756650 1029811722 /nfs/dbraw/zinc/81/17/22/1029811722.db2.gz AEFDVMDERZNIAR-DOTOQJQBSA-N 1 2 353.388 2.904 20 30 FFEDLO C#CCN(CC)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782756650 1029811725 /nfs/dbraw/zinc/81/17/25/1029811725.db2.gz AEFDVMDERZNIAR-DOTOQJQBSA-N 1 2 353.388 2.904 20 30 FFEDLO N#Cc1cc(Cl)cc(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)n1 ZINC001165690560 1030085143 /nfs/dbraw/zinc/08/51/43/1030085143.db2.gz DXMGRRAQDGHPCD-AWEZNQCLSA-N 1 2 357.845 2.866 20 30 FFEDLO N#Cc1nc(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)ccc1Cl ZINC001165691736 1030085831 /nfs/dbraw/zinc/08/58/31/1030085831.db2.gz PZKKUIDRICQVJP-AWEZNQCLSA-N 1 2 357.845 2.866 20 30 FFEDLO C=CCC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3nccn3C)C2)CCC1 ZINC001112162441 1030123268 /nfs/dbraw/zinc/12/32/68/1030123268.db2.gz RVFZILMTXRPQPD-ZIAGYGMSSA-N 1 2 370.419 2.645 20 30 FFEDLO N#Cc1ccc2cc[nH+]c(N3CCc4onc(Cn5cccn5)c4C3)c2c1 ZINC001166293722 1030347801 /nfs/dbraw/zinc/34/78/01/1030347801.db2.gz DGQUUYAKIPAQCI-UHFFFAOYSA-N 1 2 356.389 2.902 20 30 FFEDLO CC(C)CNC(=O)c1nc2c(s1)CCN(c1cc(CC#N)cc[nH+]1)CC2 ZINC001166305957 1030356298 /nfs/dbraw/zinc/35/62/98/1030356298.db2.gz BMRPEYPJGNSOKD-UHFFFAOYSA-N 1 2 369.494 2.595 20 30 FFEDLO CC(C)(C)OC(=O)NCC1(O)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000842169124 1030633251 /nfs/dbraw/zinc/63/32/51/1030633251.db2.gz NPBNKEGMOCOSDJ-UHFFFAOYSA-N 1 2 363.433 2.549 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2OC)C1 ZINC001203501808 1030730752 /nfs/dbraw/zinc/73/07/52/1030730752.db2.gz LNQZVLHAUMKXAY-OAHLLOKOSA-N 1 2 364.442 2.589 20 30 FFEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2OC)C1 ZINC001203501808 1030730769 /nfs/dbraw/zinc/73/07/69/1030730769.db2.gz LNQZVLHAUMKXAY-OAHLLOKOSA-N 1 2 364.442 2.589 20 30 FFEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1Cc1cccc(OCC)c1O ZINC001203608413 1030783861 /nfs/dbraw/zinc/78/38/61/1030783861.db2.gz OLLHJPZNBDUTGU-KRWDZBQOSA-N 1 2 372.469 2.704 20 30 FFEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1Cc1cccc(OCC)c1O ZINC001203608413 1030783876 /nfs/dbraw/zinc/78/38/76/1030783876.db2.gz OLLHJPZNBDUTGU-KRWDZBQOSA-N 1 2 372.469 2.704 20 30 FFEDLO COC(=O)C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001203763892 1030874300 /nfs/dbraw/zinc/87/43/00/1030874300.db2.gz RABWTHUQBKNDQK-OAQYLSRUSA-N 1 2 363.461 2.808 20 30 FFEDLO COC(=O)C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001203763892 1030874308 /nfs/dbraw/zinc/87/43/08/1030874308.db2.gz RABWTHUQBKNDQK-OAQYLSRUSA-N 1 2 363.461 2.808 20 30 FFEDLO N#Cc1cccc(-n2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)n2)c1 ZINC000798410523 1031399824 /nfs/dbraw/zinc/39/98/24/1031399824.db2.gz ZKBZRNDFWXRZPH-UHFFFAOYSA-N 1 2 368.400 2.860 20 30 FFEDLO C=CCCC[C@@H](C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC001149724925 1031578467 /nfs/dbraw/zinc/57/84/67/1031578467.db2.gz GVIZVDOQKRVHIA-LEWJYISDSA-N 1 2 372.509 2.686 20 30 FFEDLO CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1c1cccc(F)c1 ZINC001205439796 1031744777 /nfs/dbraw/zinc/74/47/77/1031744777.db2.gz LELCBTPCNVKZRO-FXAWDEMLSA-N 1 2 366.440 2.647 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C(C)(C)C)cc2)C[C@H]1C ZINC001206640847 1031933449 /nfs/dbraw/zinc/93/34/49/1031933449.db2.gz LMJIVLICGSIZGC-HDMKZQKVSA-N 1 2 370.497 2.519 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C(C)(C)C)cc2)C[C@H]1C ZINC001206640847 1031933458 /nfs/dbraw/zinc/93/34/58/1031933458.db2.gz LMJIVLICGSIZGC-HDMKZQKVSA-N 1 2 370.497 2.519 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cnn2ccc(Cl)nc12 ZINC001276910681 1033545863 /nfs/dbraw/zinc/54/58/63/1033545863.db2.gz YOCAJWSPIDJCLG-GOSISDBHSA-N 1 2 359.861 2.526 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cnn2ccc(Cl)nc12 ZINC001276910681 1033545868 /nfs/dbraw/zinc/54/58/68/1033545868.db2.gz YOCAJWSPIDJCLG-GOSISDBHSA-N 1 2 359.861 2.526 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2CC(=O)Nc2c(C)cccc2C)C1=O ZINC001276914964 1033567612 /nfs/dbraw/zinc/56/76/12/1033567612.db2.gz SBABFJHFQRGCMG-OAQYLSRUSA-N 1 2 355.482 2.885 20 30 FFEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2CC(=O)Nc2c(C)cccc2C)C1=O ZINC001276914964 1033567623 /nfs/dbraw/zinc/56/76/23/1033567623.db2.gz SBABFJHFQRGCMG-OAQYLSRUSA-N 1 2 355.482 2.885 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C[C@@H]1O ZINC001219346705 1033609727 /nfs/dbraw/zinc/60/97/27/1033609727.db2.gz SPIOXXDZNAEWFR-OIISXLGYSA-N 1 2 355.438 2.530 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C[C@@H]1O ZINC001219346705 1033609734 /nfs/dbraw/zinc/60/97/34/1033609734.db2.gz SPIOXXDZNAEWFR-OIISXLGYSA-N 1 2 355.438 2.530 20 30 FFEDLO CCC(=CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O)CC ZINC001219455625 1033651588 /nfs/dbraw/zinc/65/15/88/1033651588.db2.gz SIPDQBVFVUPQTP-MOPGFXCFSA-N 1 2 360.885 2.599 20 30 FFEDLO CCC(=CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O)CC ZINC001219455625 1033651593 /nfs/dbraw/zinc/65/15/93/1033651593.db2.gz SIPDQBVFVUPQTP-MOPGFXCFSA-N 1 2 360.885 2.599 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2csc(-c3ccncc3)n2)C1=O ZINC001276949253 1033731210 /nfs/dbraw/zinc/73/12/10/1033731210.db2.gz PYHYXRMEPZJYON-LJQANCHMSA-N 1 2 354.479 2.958 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2csc(-c3ccncc3)n2)C1=O ZINC001276949253 1033731219 /nfs/dbraw/zinc/73/12/19/1033731219.db2.gz PYHYXRMEPZJYON-LJQANCHMSA-N 1 2 354.479 2.958 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001219706642 1033773777 /nfs/dbraw/zinc/77/37/77/1033773777.db2.gz IVFHNUNDHPUXKB-CVEARBPZSA-N 1 2 370.415 2.969 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC001219706642 1033773789 /nfs/dbraw/zinc/77/37/89/1033773789.db2.gz IVFHNUNDHPUXKB-CVEARBPZSA-N 1 2 370.415 2.969 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](CC)c2ccc(F)cc2F)C[C@@H]1O ZINC001220148126 1034004019 /nfs/dbraw/zinc/00/40/19/1034004019.db2.gz XRELEKNJTSULQG-ZACQAIPSSA-N 1 2 352.425 2.789 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](CC)c2ccc(F)cc2F)C[C@@H]1O ZINC001220148126 1034004026 /nfs/dbraw/zinc/00/40/26/1034004026.db2.gz XRELEKNJTSULQG-ZACQAIPSSA-N 1 2 352.425 2.789 20 30 FFEDLO CC(C)=C(C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001220158507 1034012683 /nfs/dbraw/zinc/01/26/83/1034012683.db2.gz ZEUFQNWFWBZATQ-MOPGFXCFSA-N 1 2 360.885 2.599 20 30 FFEDLO CC(C)=C(C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001220158507 1034012690 /nfs/dbraw/zinc/01/26/90/1034012690.db2.gz ZEUFQNWFWBZATQ-MOPGFXCFSA-N 1 2 360.885 2.599 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001220199115 1034041804 /nfs/dbraw/zinc/04/18/04/1034041804.db2.gz IHAZQWHBFVBLDF-XYPHTWIQSA-N 1 2 370.415 2.969 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC001220199115 1034041821 /nfs/dbraw/zinc/04/18/21/1034041821.db2.gz IHAZQWHBFVBLDF-XYPHTWIQSA-N 1 2 370.415 2.969 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ccc(F)c(F)c3)C[C@@H]2O)CC1 ZINC001220291583 1034101392 /nfs/dbraw/zinc/10/13/92/1034101392.db2.gz CEXOWBJBYNFGIY-XWIAVFTESA-N 1 2 364.436 2.934 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ccc(F)c(F)c3)C[C@@H]2O)CC1 ZINC001220291583 1034101397 /nfs/dbraw/zinc/10/13/97/1034101397.db2.gz CEXOWBJBYNFGIY-XWIAVFTESA-N 1 2 364.436 2.934 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)CC(C)(C)C ZINC001220416218 1034162205 /nfs/dbraw/zinc/16/22/05/1034162205.db2.gz NDJHRXOWRYWKMB-SXLOBPIMSA-N 1 2 356.510 2.662 20 30 FFEDLO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)CC(C)(C)C ZINC001220416218 1034162206 /nfs/dbraw/zinc/16/22/06/1034162206.db2.gz NDJHRXOWRYWKMB-SXLOBPIMSA-N 1 2 356.510 2.662 20 30 FFEDLO C=CCc1cccc(C[N@H+]2CCOC[C@@H]2CNC(=O)OC(C)(C)C)c1O ZINC001138629477 1034479990 /nfs/dbraw/zinc/47/99/90/1034479990.db2.gz AARJTEQFXSNNBO-KRWDZBQOSA-N 1 2 362.470 2.846 20 30 FFEDLO C=CCc1cccc(C[N@@H+]2CCOC[C@@H]2CNC(=O)OC(C)(C)C)c1O ZINC001138629477 1034479995 /nfs/dbraw/zinc/47/99/95/1034479995.db2.gz AARJTEQFXSNNBO-KRWDZBQOSA-N 1 2 362.470 2.846 20 30 FFEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1c(F)ccnc1Cl)CC2 ZINC001277104540 1034555027 /nfs/dbraw/zinc/55/50/27/1034555027.db2.gz RNMSFGTYZFOTPV-CQSZACIVSA-N 1 2 364.852 2.896 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccnn1[C@@H]1CCCCO1)CC2 ZINC001138776107 1034646121 /nfs/dbraw/zinc/64/61/21/1034646121.db2.gz FZHCOPGRYQMUBU-FQEVSTJZSA-N 1 2 371.485 2.577 20 30 FFEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccnn1[C@@H]1CCCCO1)CC2 ZINC001138776107 1034646126 /nfs/dbraw/zinc/64/61/26/1034646126.db2.gz FZHCOPGRYQMUBU-FQEVSTJZSA-N 1 2 371.485 2.577 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccnn3[C@@H]3CCCCO3)CC2)cc1 ZINC001138778140 1034647680 /nfs/dbraw/zinc/64/76/80/1034647680.db2.gz AWFFYKJGFDGNOU-FQEVSTJZSA-N 1 2 351.454 2.776 20 30 FFEDLO N#CCSCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(Cl)s3)C[C@H]21 ZINC001221288975 1034650834 /nfs/dbraw/zinc/65/08/34/1034650834.db2.gz DEJLPTQJMAYKPX-DGCLKSJQSA-N 1 2 355.916 2.691 20 30 FFEDLO N#CCSCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Cl)s3)C[C@H]21 ZINC001221288975 1034650836 /nfs/dbraw/zinc/65/08/36/1034650836.db2.gz DEJLPTQJMAYKPX-DGCLKSJQSA-N 1 2 355.916 2.691 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221423772 1034740087 /nfs/dbraw/zinc/74/00/87/1034740087.db2.gz QXVUKWPRDVREIC-XAUMDUMWSA-N 1 2 371.456 2.711 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221423772 1034740101 /nfs/dbraw/zinc/74/01/01/1034740101.db2.gz QXVUKWPRDVREIC-XAUMDUMWSA-N 1 2 371.456 2.711 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221471012 1034796067 /nfs/dbraw/zinc/79/60/67/1034796067.db2.gz IQJABODCXUSACM-UYAOXDASSA-N 1 2 371.456 2.713 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221471012 1034796082 /nfs/dbraw/zinc/79/60/82/1034796082.db2.gz IQJABODCXUSACM-UYAOXDASSA-N 1 2 371.456 2.713 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3c(C)cccc3C)C[C@H]21 ZINC001221514289 1034832328 /nfs/dbraw/zinc/83/23/28/1034832328.db2.gz QVSLIKUISIADRS-RTBURBONSA-N 1 2 367.493 2.578 20 30 FFEDLO C#CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3c(C)cccc3C)C[C@H]21 ZINC001221514289 1034832339 /nfs/dbraw/zinc/83/23/39/1034832339.db2.gz QVSLIKUISIADRS-RTBURBONSA-N 1 2 367.493 2.578 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)ccc3Cl)C[C@H]21 ZINC001221517541 1034835536 /nfs/dbraw/zinc/83/55/36/1034835536.db2.gz BRBSICOBUJRMCT-OMWUSAIZSA-N 1 2 366.864 2.839 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)ccc3Cl)C[C@H]21 ZINC001221517541 1034835549 /nfs/dbraw/zinc/83/55/49/1034835549.db2.gz BRBSICOBUJRMCT-OMWUSAIZSA-N 1 2 366.864 2.839 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3)C[C@H]21 ZINC001221538756 1034856806 /nfs/dbraw/zinc/85/68/06/1034856806.db2.gz APKSRXBPSXDERF-JCKWVBRZSA-N 1 2 364.848 2.550 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(Cl)c3)C[C@H]21 ZINC001221538756 1034856813 /nfs/dbraw/zinc/85/68/13/1034856813.db2.gz APKSRXBPSXDERF-JCKWVBRZSA-N 1 2 364.848 2.550 20 30 FFEDLO C=CCCOCCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3nocc3C)C[C@H]21 ZINC001221551954 1034868465 /nfs/dbraw/zinc/86/84/65/1034868465.db2.gz ZFBLHYRCKSUVFM-IEBWSBKVSA-N 1 2 361.486 2.779 20 30 FFEDLO C=CCCOCCCCC(=O)N1C[C@H]2CC[N@H+](Cc3nocc3C)C[C@H]21 ZINC001221551954 1034868473 /nfs/dbraw/zinc/86/84/73/1034868473.db2.gz ZFBLHYRCKSUVFM-IEBWSBKVSA-N 1 2 361.486 2.779 20 30 FFEDLO COCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)CCC1 ZINC001221698837 1034993886 /nfs/dbraw/zinc/99/38/86/1034993886.db2.gz YRAMPXNRAMYOEG-IEBWSBKVSA-N 1 2 371.456 2.547 20 30 FFEDLO COCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)CCC1 ZINC001221698837 1034993895 /nfs/dbraw/zinc/99/38/95/1034993895.db2.gz YRAMPXNRAMYOEG-IEBWSBKVSA-N 1 2 371.456 2.547 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccn(CC(F)(F)F)n3)C[C@H]21 ZINC001221782420 1035063932 /nfs/dbraw/zinc/06/39/32/1035063932.db2.gz BQDJXUFATXMCKI-GDBMZVCRSA-N 1 2 370.419 2.834 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccn(CC(F)(F)F)n3)C[C@H]21 ZINC001221782420 1035063943 /nfs/dbraw/zinc/06/39/43/1035063943.db2.gz BQDJXUFATXMCKI-GDBMZVCRSA-N 1 2 370.419 2.834 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@H](C)CCC(C)C)C[C@H]21 ZINC001221783961 1035064374 /nfs/dbraw/zinc/06/43/74/1035064374.db2.gz ZECCLRXISVCJEF-GUDVDZBRSA-N 1 2 363.546 2.816 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@H](C)CCC(C)C)C[C@H]21 ZINC001221783961 1035064381 /nfs/dbraw/zinc/06/43/81/1035064381.db2.gz ZECCLRXISVCJEF-GUDVDZBRSA-N 1 2 363.546 2.816 20 30 FFEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CCCCC)C(C)C)[C@@H]2C1 ZINC001221928730 1035162535 /nfs/dbraw/zinc/16/25/35/1035162535.db2.gz DAUWERJESDQXDF-GUDVDZBRSA-N 1 2 363.546 2.674 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CCCCC)C(C)C)[C@@H]2C1 ZINC001221928730 1035162536 /nfs/dbraw/zinc/16/25/36/1035162536.db2.gz DAUWERJESDQXDF-GUDVDZBRSA-N 1 2 363.546 2.674 20 30 FFEDLO CC(C)NC(=O)c1noc2c1C[N@H+](Cc1c[nH]c3c1cccc3C#N)CC2 ZINC001139705122 1035202179 /nfs/dbraw/zinc/20/21/79/1035202179.db2.gz LYJXXPFIIZXYFF-UHFFFAOYSA-N 1 2 363.421 2.724 20 30 FFEDLO CC(C)NC(=O)c1noc2c1C[N@@H+](Cc1c[nH]c3c1cccc3C#N)CC2 ZINC001139705122 1035202184 /nfs/dbraw/zinc/20/21/84/1035202184.db2.gz LYJXXPFIIZXYFF-UHFFFAOYSA-N 1 2 363.421 2.724 20 30 FFEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1Cc1c(C)cc(O)cc1C ZINC001139709764 1035203803 /nfs/dbraw/zinc/20/38/03/1035203803.db2.gz JUEDAXMAQKJIAN-IBGZPJMESA-N 1 2 356.470 2.922 20 30 FFEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1Cc1c(C)cc(O)cc1C ZINC001139709764 1035203805 /nfs/dbraw/zinc/20/38/05/1035203805.db2.gz JUEDAXMAQKJIAN-IBGZPJMESA-N 1 2 356.470 2.922 20 30 FFEDLO C=CCn1cc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)cn1 ZINC001139771500 1035227135 /nfs/dbraw/zinc/22/71/35/1035227135.db2.gz FREQSXNNNDRMLG-YQVWRLOYSA-N 1 2 374.510 2.722 20 30 FFEDLO C=CCn1cc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)cn1 ZINC001139771500 1035227140 /nfs/dbraw/zinc/22/71/40/1035227140.db2.gz FREQSXNNNDRMLG-YQVWRLOYSA-N 1 2 374.510 2.722 20 30 FFEDLO N#Cc1cc(F)cc(C[N@H+]2Cc3cncn3C[C@@H](COCC3CC3)C2)c1 ZINC001139877329 1035264672 /nfs/dbraw/zinc/26/46/72/1035264672.db2.gz GJPZDPFDESDBSJ-SFHVURJKSA-N 1 2 354.429 2.952 20 30 FFEDLO N#Cc1cc(F)cc(C[N@@H+]2Cc3cncn3C[C@@H](COCC3CC3)C2)c1 ZINC001139877329 1035264676 /nfs/dbraw/zinc/26/46/76/1035264676.db2.gz GJPZDPFDESDBSJ-SFHVURJKSA-N 1 2 354.429 2.952 20 30 FFEDLO CN(CC[NH+]1CCN(c2ccc(C#N)cc2F)CC1)C(=O)OC(C)(C)C ZINC001203000771 1035338791 /nfs/dbraw/zinc/33/87/91/1035338791.db2.gz JASJYQVEZBLUFE-UHFFFAOYSA-N 1 2 362.449 2.686 20 30 FFEDLO N#Cc1ccnc(C[N@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c1 ZINC001232482573 1035725518 /nfs/dbraw/zinc/72/55/18/1035725518.db2.gz ZBFSPCDJCLWMQO-MRXNPFEDSA-N 1 2 350.397 2.713 20 30 FFEDLO N#Cc1ccnc(C[N@@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c1 ZINC001232482573 1035725527 /nfs/dbraw/zinc/72/55/27/1035725527.db2.gz ZBFSPCDJCLWMQO-MRXNPFEDSA-N 1 2 350.397 2.713 20 30 FFEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1Br ZINC001228000041 1035861632 /nfs/dbraw/zinc/86/16/32/1035861632.db2.gz IPBUCZYZALVCRJ-QCRWRKDUSA-N 1 2 369.215 2.657 20 30 FFEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c([N+](=O)[O-])cc1Br ZINC001228000041 1035861651 /nfs/dbraw/zinc/86/16/51/1035861651.db2.gz IPBUCZYZALVCRJ-QCRWRKDUSA-N 1 2 369.215 2.657 20 30 FFEDLO Cc1noc(C[C@@H]2C[C@H]3C[N@H+](Cc4ccc(Cl)cc4C#N)C[C@H]3O2)n1 ZINC001232607111 1035862473 /nfs/dbraw/zinc/86/24/73/1035862473.db2.gz DLIFWXKDHRMSRE-BHYGNILZSA-N 1 2 358.829 2.735 20 30 FFEDLO Cc1noc(C[C@@H]2C[C@H]3C[N@@H+](Cc4ccc(Cl)cc4C#N)C[C@H]3O2)n1 ZINC001232607111 1035862489 /nfs/dbraw/zinc/86/24/89/1035862489.db2.gz DLIFWXKDHRMSRE-BHYGNILZSA-N 1 2 358.829 2.735 20 30 FFEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001232674363 1035932054 /nfs/dbraw/zinc/93/20/54/1035932054.db2.gz YBTDYTQEPWRDQI-HXUWFJFHSA-N 1 2 355.438 2.874 20 30 FFEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001232674363 1035932058 /nfs/dbraw/zinc/93/20/58/1035932058.db2.gz YBTDYTQEPWRDQI-HXUWFJFHSA-N 1 2 355.438 2.874 20 30 FFEDLO CN1CC[C@@]2(C[N@H+](Cc3cc(C#N)ccc3O)C[C@@H]2c2ccccc2)C1=O ZINC001232677180 1035935272 /nfs/dbraw/zinc/93/52/72/1035935272.db2.gz JEOQMMKTITZXAX-KNQAVFIVSA-N 1 2 361.445 2.712 20 30 FFEDLO CN1CC[C@@]2(C[N@@H+](Cc3cc(C#N)ccc3O)C[C@@H]2c2ccccc2)C1=O ZINC001232677180 1035935287 /nfs/dbraw/zinc/93/52/87/1035935287.db2.gz JEOQMMKTITZXAX-KNQAVFIVSA-N 1 2 361.445 2.712 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)c1 ZINC001232681013 1035938736 /nfs/dbraw/zinc/93/87/36/1035938736.db2.gz JWFJBNOZSFYXTG-GOSISDBHSA-N 1 2 353.397 2.797 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)c1 ZINC001232681013 1035938742 /nfs/dbraw/zinc/93/87/42/1035938742.db2.gz JWFJBNOZSFYXTG-GOSISDBHSA-N 1 2 353.397 2.797 20 30 FFEDLO N#Cc1ccc(F)cc1CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC001232888499 1036129826 /nfs/dbraw/zinc/12/98/26/1036129826.db2.gz FUQNJJXSILRBST-UHFFFAOYSA-N 1 2 353.397 2.744 20 30 FFEDLO C[C@H]1C[NH+](C2CN(Cc3ccc(Br)c(C#N)c3)C2)C[C@H](C)O1 ZINC001232897995 1036139322 /nfs/dbraw/zinc/13/93/22/1036139322.db2.gz WSSYUFGSQIWSOK-STQMWFEESA-N 1 2 364.287 2.614 20 30 FFEDLO CCCCCCCC[C@@H](O)C[NH+]1CC2(C1)CN(CC(C)C)C(=O)CO2 ZINC001277734626 1036156662 /nfs/dbraw/zinc/15/66/62/1036156662.db2.gz KNKRNNHDUDLFLT-GOSISDBHSA-N 1 2 354.535 2.667 20 30 FFEDLO CCCCCCCC[C@@H](O)C[NH+]1CC2(C1)CN(CC=C(C)C)C(=O)CO2 ZINC001277735682 1036163180 /nfs/dbraw/zinc/16/31/80/1036163180.db2.gz WGGHADSWQFNGOF-LJQANCHMSA-N 1 2 366.546 2.977 20 30 FFEDLO Cc1ccc(C[N@H+](C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(C#N)c1 ZINC001232961889 1036189848 /nfs/dbraw/zinc/18/98/48/1036189848.db2.gz IIBJJSOZRGTJIJ-GOSISDBHSA-N 1 2 359.470 2.934 20 30 FFEDLO Cc1ccc(C[N@@H+](C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(C#N)c1 ZINC001232961889 1036189864 /nfs/dbraw/zinc/18/98/64/1036189864.db2.gz IIBJJSOZRGTJIJ-GOSISDBHSA-N 1 2 359.470 2.934 20 30 FFEDLO Cc1ccc(CN2CCC3(CC2)C(=O)N(CC(C)C)CC[N@@H+]3C)c(C#N)c1 ZINC001232965429 1036192235 /nfs/dbraw/zinc/19/22/35/1036192235.db2.gz YVWMLLWRUFBCRD-UHFFFAOYSA-N 1 2 368.525 2.631 20 30 FFEDLO Cc1ccc(CN2CCC3(CC2)C(=O)N(CC(C)C)CC[N@H+]3C)c(C#N)c1 ZINC001232965429 1036192244 /nfs/dbraw/zinc/19/22/44/1036192244.db2.gz YVWMLLWRUFBCRD-UHFFFAOYSA-N 1 2 368.525 2.631 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)c1Cl ZINC001140814559 1036216714 /nfs/dbraw/zinc/21/67/14/1036216714.db2.gz MKKRFEGEAPOTPM-QGZVFWFLSA-N 1 2 361.873 2.719 20 30 FFEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)c1Cl ZINC001140814559 1036216732 /nfs/dbraw/zinc/21/67/32/1036216732.db2.gz MKKRFEGEAPOTPM-QGZVFWFLSA-N 1 2 361.873 2.719 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cc(F)cnc2C)Cc2nnn(CC3CC3)c21 ZINC001232988815 1036225107 /nfs/dbraw/zinc/22/51/07/1036225107.db2.gz WKEUWLJFHMOFIO-KRWDZBQOSA-N 1 2 371.460 2.833 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](Cc2cc(F)cnc2C)Cc2nnn(CC3CC3)c21 ZINC001232988815 1036225109 /nfs/dbraw/zinc/22/51/09/1036225109.db2.gz WKEUWLJFHMOFIO-KRWDZBQOSA-N 1 2 371.460 2.833 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cc(Cl)ncc3O)C2)CC1 ZINC001233032889 1036272178 /nfs/dbraw/zinc/27/21/78/1036272178.db2.gz VTKFZAQGYAQNMJ-UHFFFAOYSA-N 1 2 351.834 2.661 20 30 FFEDLO Cc1cccc(CN2C(=O)CCC23CC[NH+](Cc2[nH]ccc2C#N)CC3)n1 ZINC001233043392 1036288487 /nfs/dbraw/zinc/28/84/87/1036288487.db2.gz IKPPRTANYVTZNP-UHFFFAOYSA-N 1 2 363.465 2.747 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233103453 1036352646 /nfs/dbraw/zinc/35/26/46/1036352646.db2.gz HCMTYQHIBDRKNF-HNNXBMFYSA-N 1 2 360.433 2.640 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233103453 1036352664 /nfs/dbraw/zinc/35/26/64/1036352664.db2.gz HCMTYQHIBDRKNF-HNNXBMFYSA-N 1 2 360.433 2.640 20 30 FFEDLO C=CCN1c2ccccc2[C@@]2(CC[N@@H+](Cc3ncc(Cl)cn3)C2)C1=O ZINC001277339851 1036392526 /nfs/dbraw/zinc/39/25/26/1036392526.db2.gz YCSOTNUOPWJHKX-IBGZPJMESA-N 1 2 354.841 2.806 20 30 FFEDLO C=CCN1c2ccccc2[C@@]2(CC[N@H+](Cc3ncc(Cl)cn3)C2)C1=O ZINC001277339851 1036392538 /nfs/dbraw/zinc/39/25/38/1036392538.db2.gz YCSOTNUOPWJHKX-IBGZPJMESA-N 1 2 354.841 2.806 20 30 FFEDLO COc1cc2c(Cl)c(C#N)cnc2cc1O[C@@H](C)C[NH+]1CCOCC1 ZINC001229106159 1036499205 /nfs/dbraw/zinc/49/92/05/1036499205.db2.gz JVSVJISLBOHJRT-LBPRGKRZSA-N 1 2 361.829 2.868 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccc(C#N)cc2O)CCC1(F)F ZINC001233387234 1036589069 /nfs/dbraw/zinc/58/90/69/1036589069.db2.gz ATTYEPWVDJDXLH-HNNXBMFYSA-N 1 2 367.396 2.998 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2ccc(C#N)cc2O)CCC1(F)F ZINC001233387234 1036589075 /nfs/dbraw/zinc/58/90/75/1036589075.db2.gz ATTYEPWVDJDXLH-HNNXBMFYSA-N 1 2 367.396 2.998 20 30 FFEDLO C#CCOc1ccc(CNC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000836611358 1036682906 /nfs/dbraw/zinc/68/29/06/1036682906.db2.gz NBBJWZBSCBRBDN-UHFFFAOYSA-N 1 2 352.438 2.785 20 30 FFEDLO CCn1nc(C(C)=O)c(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1C ZINC001233659723 1036707603 /nfs/dbraw/zinc/70/76/03/1036707603.db2.gz IJXMMGLQEBSMTJ-SFHVURJKSA-N 1 2 352.438 2.939 20 30 FFEDLO CCn1nc(C(C)=O)c(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1C ZINC001233659723 1036707641 /nfs/dbraw/zinc/70/76/41/1036707641.db2.gz IJXMMGLQEBSMTJ-SFHVURJKSA-N 1 2 352.438 2.939 20 30 FFEDLO CCOC(=O)c1c(O)cc2ccccc2c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001229502074 1036709021 /nfs/dbraw/zinc/70/90/21/1036709021.db2.gz RECSKOCWBVEQLC-FSAIUCGOSA-N 1 2 369.417 2.713 20 30 FFEDLO CCOC(=O)c1c(O)cc2ccccc2c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001229502074 1036709042 /nfs/dbraw/zinc/70/90/42/1036709042.db2.gz RECSKOCWBVEQLC-FSAIUCGOSA-N 1 2 369.417 2.713 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(Cl)cc(C(=O)OC)c2)C1=O ZINC001277817684 1036821407 /nfs/dbraw/zinc/82/14/07/1036821407.db2.gz AZVDQOWXJUHTIJ-IBGZPJMESA-N 1 2 362.857 2.880 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Cl)cc(C(=O)OC)c2)C1=O ZINC001277817684 1036821434 /nfs/dbraw/zinc/82/14/34/1036821434.db2.gz AZVDQOWXJUHTIJ-IBGZPJMESA-N 1 2 362.857 2.880 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cc(Cl)cc(C(=O)OC)c2)C1=O ZINC001277817685 1036821798 /nfs/dbraw/zinc/82/17/98/1036821798.db2.gz AZVDQOWXJUHTIJ-LJQANCHMSA-N 1 2 362.857 2.880 20 30 FFEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(Cl)cc(C(=O)OC)c2)C1=O ZINC001277817685 1036821805 /nfs/dbraw/zinc/82/18/05/1036821805.db2.gz AZVDQOWXJUHTIJ-LJQANCHMSA-N 1 2 362.857 2.880 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(OC)c(Cl)c1O ZINC001277833283 1036930275 /nfs/dbraw/zinc/93/02/75/1036930275.db2.gz HDJHNFQREBGUIP-IBGZPJMESA-N 1 2 362.857 2.644 20 30 FFEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(OC)c(Cl)c1O ZINC001277833283 1036930290 /nfs/dbraw/zinc/93/02/90/1036930290.db2.gz HDJHNFQREBGUIP-IBGZPJMESA-N 1 2 362.857 2.644 20 30 FFEDLO C=CCCCCCC[C@H](O)C[NH+]1CC2(C1)CN([C@H](C)CC)C(=O)CO2 ZINC001277840221 1036964021 /nfs/dbraw/zinc/96/40/21/1036964021.db2.gz AEBRWRWMMLPTAU-MSOLQXFVSA-N 1 2 352.519 2.586 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2Cl)C[C@H]1C ZINC001206955361 1036979854 /nfs/dbraw/zinc/97/98/54/1036979854.db2.gz RREBCMWEGFAZQB-PBFPGSCMSA-N 1 2 369.292 2.968 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2Cl)C[C@H]1C ZINC001206955361 1036979869 /nfs/dbraw/zinc/97/98/69/1036979869.db2.gz RREBCMWEGFAZQB-PBFPGSCMSA-N 1 2 369.292 2.968 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2)C[C@H]1C ZINC001207092911 1037139931 /nfs/dbraw/zinc/13/99/31/1037139931.db2.gz AZORGEZNYBTZPC-VQIMIIECSA-N 1 2 355.482 2.830 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2)C[C@H]1C ZINC001207092911 1037139936 /nfs/dbraw/zinc/13/99/36/1037139936.db2.gz AZORGEZNYBTZPC-VQIMIIECSA-N 1 2 355.482 2.830 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)Cc2nn(CC3CC3)cc21 ZINC001207104262 1037149586 /nfs/dbraw/zinc/14/95/86/1037149586.db2.gz PSTOOMIRCWGPNE-QGZVFWFLSA-N 1 2 353.470 2.639 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)Cc2nn(CC3CC3)cc21 ZINC001207104262 1037149596 /nfs/dbraw/zinc/14/95/96/1037149596.db2.gz PSTOOMIRCWGPNE-QGZVFWFLSA-N 1 2 353.470 2.639 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2nnc(CC)o2)C[C@H]1C ZINC001207153241 1037198943 /nfs/dbraw/zinc/19/89/43/1037198943.db2.gz RBYYWAJVPPUYHV-NQBHXWOUSA-N 1 2 354.882 2.908 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nnc(CC)o2)C[C@H]1C ZINC001207153241 1037198950 /nfs/dbraw/zinc/19/89/50/1037198950.db2.gz RBYYWAJVPPUYHV-NQBHXWOUSA-N 1 2 354.882 2.908 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001207200784 1037240380 /nfs/dbraw/zinc/24/03/80/1037240380.db2.gz RLOJRMNPXKIQOI-IIDMSEBBSA-N 1 2 361.461 2.946 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001207200784 1037240394 /nfs/dbraw/zinc/24/03/94/1037240394.db2.gz RLOJRMNPXKIQOI-IIDMSEBBSA-N 1 2 361.461 2.946 20 30 FFEDLO C=C(C)CN1CC[C@@]2(CCCN2c2nc(NCC3CC3)c(C)c[nH+]2)C1=O ZINC001277922208 1037363672 /nfs/dbraw/zinc/36/36/72/1037363672.db2.gz SKWVGNALLYHSCO-FQEVSTJZSA-N 1 2 355.486 2.754 20 30 FFEDLO C=CCN1CC[C@@]2(CCCN(c3nc(NC4CC4)c(C)c[nH+]3)CC2)C1=O ZINC001277925385 1037375303 /nfs/dbraw/zinc/37/53/03/1037375303.db2.gz BGHFKXGRSNVMOT-HXUWFJFHSA-N 1 2 355.486 2.754 20 30 FFEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC001235488518 1037584459 /nfs/dbraw/zinc/58/44/59/1037584459.db2.gz IYVBCJOVKJCVLN-ARFHVFGLSA-N 1 2 360.420 2.538 20 30 FFEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC001235488518 1037584471 /nfs/dbraw/zinc/58/44/71/1037584471.db2.gz IYVBCJOVKJCVLN-ARFHVFGLSA-N 1 2 360.420 2.538 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN(Cc3ccccc3CC#N)CC2)cc1 ZINC001235523742 1037608013 /nfs/dbraw/zinc/60/80/13/1037608013.db2.gz TYOUGALVLWVMSC-UHFFFAOYSA-N 1 2 363.461 2.857 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232119484 1038181769 /nfs/dbraw/zinc/18/17/69/1038181769.db2.gz ZVAFBDKULPOKKN-LSDHHAIUSA-N 1 2 365.861 2.672 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232119484 1038181776 /nfs/dbraw/zinc/18/17/76/1038181776.db2.gz ZVAFBDKULPOKKN-LSDHHAIUSA-N 1 2 365.861 2.672 20 30 FFEDLO Cc1ncsc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(C#N)ccc1O ZINC001278895444 1038276031 /nfs/dbraw/zinc/27/60/31/1038276031.db2.gz QRWKUQXSHHQQGM-IRXDYDNUSA-N 1 2 354.479 2.878 20 30 FFEDLO Cc1ncsc1CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(C#N)ccc1O ZINC001278895444 1038276039 /nfs/dbraw/zinc/27/60/39/1038276039.db2.gz QRWKUQXSHHQQGM-IRXDYDNUSA-N 1 2 354.479 2.878 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001208389158 1038276728 /nfs/dbraw/zinc/27/67/28/1038276728.db2.gz ZONDDIADKOLSBN-IIDMSEBBSA-N 1 2 361.461 2.803 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001208389158 1038276743 /nfs/dbraw/zinc/27/67/43/1038276743.db2.gz ZONDDIADKOLSBN-IIDMSEBBSA-N 1 2 361.461 2.803 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001208395697 1038279922 /nfs/dbraw/zinc/27/99/22/1038279922.db2.gz BULDHHPCIKZXNV-RVKKMQEKSA-N 1 2 361.461 2.803 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001208395697 1038279934 /nfs/dbraw/zinc/27/99/34/1038279934.db2.gz BULDHHPCIKZXNV-RVKKMQEKSA-N 1 2 361.461 2.803 20 30 FFEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3c(O)ccc(F)c3Cl)C2)OCC1=O ZINC001278022842 1038326897 /nfs/dbraw/zinc/32/68/97/1038326897.db2.gz AUNLRLKOPVXLCI-GOSISDBHSA-N 1 2 368.836 2.564 20 30 FFEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3c(O)ccc(F)c3Cl)C2)OCC1=O ZINC001278022842 1038326912 /nfs/dbraw/zinc/32/69/12/1038326912.db2.gz AUNLRLKOPVXLCI-GOSISDBHSA-N 1 2 368.836 2.564 20 30 FFEDLO C[C@H](C#N)N(C)Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001237093306 1038441749 /nfs/dbraw/zinc/44/17/49/1038441749.db2.gz NMXJIEWQRQESTD-CYBMUJFWSA-N 1 2 351.292 2.545 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3sc(=O)[nH]c3Cl)C2)CC1 ZINC001237160865 1038459520 /nfs/dbraw/zinc/45/95/20/1038459520.db2.gz KQTIFTRPDSXWOV-UHFFFAOYSA-N 1 2 357.863 2.723 20 30 FFEDLO CC(C)(C)OC(=O)N1CCOC2(C[NH+](CCCc3cccc(C#N)c3)C2)C1 ZINC001208851404 1038555968 /nfs/dbraw/zinc/55/59/68/1038555968.db2.gz FRQGPRJYEPRISE-UHFFFAOYSA-N 1 2 371.481 2.813 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC2CCOCC2)C1 ZINC001209150171 1038686590 /nfs/dbraw/zinc/68/65/90/1038686590.db2.gz MRIHNDOPSMUKOS-IUODEOHRSA-N 1 2 359.308 2.538 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC2CCOCC2)C1 ZINC001209150171 1038686596 /nfs/dbraw/zinc/68/65/96/1038686596.db2.gz MRIHNDOPSMUKOS-IUODEOHRSA-N 1 2 359.308 2.538 20 30 FFEDLO Cc1cc(C)c(C[N@@H+]2C[C@]3(F)CN(CCCC#N)C(=O)[C@]3(F)C2)cc1C ZINC001276620558 1038691239 /nfs/dbraw/zinc/69/12/39/1038691239.db2.gz JKCAUABYVOEPEZ-VQTJNVASSA-N 1 2 361.436 2.990 20 30 FFEDLO Cc1cc(C)c(C[N@H+]2C[C@]3(F)CN(CCCC#N)C(=O)[C@]3(F)C2)cc1C ZINC001276620558 1038691242 /nfs/dbraw/zinc/69/12/42/1038691242.db2.gz JKCAUABYVOEPEZ-VQTJNVASSA-N 1 2 361.436 2.990 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)c2cccnc2)C1 ZINC001209166500 1038694008 /nfs/dbraw/zinc/69/40/08/1038694008.db2.gz HNRISFOUMOOESI-WOSRLPQWSA-N 1 2 366.303 2.920 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)c2cccnc2)C1 ZINC001209166500 1038694012 /nfs/dbraw/zinc/69/40/12/1038694012.db2.gz HNRISFOUMOOESI-WOSRLPQWSA-N 1 2 366.303 2.920 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC(F)(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001209240197 1038726917 /nfs/dbraw/zinc/72/69/17/1038726917.db2.gz WJKATOZMVNVEOI-CQSZACIVSA-N 1 2 370.490 3.000 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC(F)(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001209240197 1038726924 /nfs/dbraw/zinc/72/69/24/1038726924.db2.gz WJKATOZMVNVEOI-CQSZACIVSA-N 1 2 370.490 3.000 20 30 FFEDLO CCCCNC(=O)[C@@H]1CC12CC[NH+](CC(=O)c1ccc(C#N)cc1)CC2 ZINC001276628319 1038739050 /nfs/dbraw/zinc/73/90/50/1038739050.db2.gz YITMBDOMEWIESN-SFHVURJKSA-N 1 2 353.466 2.759 20 30 FFEDLO CNc1cc(-c2ccccc2COC(=O)ON2C(=O)CCC2=O)cc[nH+]1 ZINC001244974239 1038836726 /nfs/dbraw/zinc/83/67/26/1038836726.db2.gz ZQBSAKGSGNFEDT-UHFFFAOYSA-N 1 2 355.350 2.508 20 30 FFEDLO C=CCOc1ccccc1C[N@H+]1C[C@H]2CN(Cc3ccc[nH]3)C[C@@H](C1)O2 ZINC001279056425 1039042970 /nfs/dbraw/zinc/04/29/70/1039042970.db2.gz CFGXXGZGDJNVFZ-BGYRXZFFSA-N 1 2 353.466 2.665 20 30 FFEDLO C=CCOc1ccccc1C[N@@H+]1C[C@H]2CN(Cc3ccc[nH]3)C[C@@H](C1)O2 ZINC001279056425 1039042989 /nfs/dbraw/zinc/04/29/89/1039042989.db2.gz CFGXXGZGDJNVFZ-BGYRXZFFSA-N 1 2 353.466 2.665 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[C@H](C)CC)C2)c1 ZINC001209698891 1039139985 /nfs/dbraw/zinc/13/99/85/1039139985.db2.gz UBWKACXJFHHBRJ-MBOZVWFJSA-N 1 2 369.509 2.869 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC[C@H](C)CC)C2)c1 ZINC001209698891 1039139992 /nfs/dbraw/zinc/13/99/92/1039139992.db2.gz UBWKACXJFHHBRJ-MBOZVWFJSA-N 1 2 369.509 2.869 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001251503629 1039159876 /nfs/dbraw/zinc/15/98/76/1039159876.db2.gz AVPRSDWWUWNBFW-GBESFXJTSA-N 1 2 373.497 2.719 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCC[C@@H](C#N)C1 ZINC001251503629 1039159883 /nfs/dbraw/zinc/15/98/83/1039159883.db2.gz AVPRSDWWUWNBFW-GBESFXJTSA-N 1 2 373.497 2.719 20 30 FFEDLO CN(C)C(=O)COc1cccc(C(=O)/C=C\c2ccc[nH+]c2N(C)C)c1 ZINC001258512893 1039409487 /nfs/dbraw/zinc/40/94/87/1039409487.db2.gz NRYZPNCOABAWRS-KHPPLWFESA-N 1 2 353.422 2.511 20 30 FFEDLO Cc1cc(Br)c(OC(C)C)c(CN2CC[NH2+]C[C@@H]2C#N)c1 ZINC001210195902 1039425356 /nfs/dbraw/zinc/42/53/56/1039425356.db2.gz LKXJDNXOSIFHPD-AWEZNQCLSA-N 1 2 352.276 2.842 20 30 FFEDLO C=CCC[C@@H](O)C[N@H+]1CCc2c(nnn2CC)[C@@H]1COCc1ccccc1 ZINC001252595428 1039605848 /nfs/dbraw/zinc/60/58/48/1039605848.db2.gz HPIZXOHSCJSGBZ-QUCCMNQESA-N 1 2 370.497 2.741 20 30 FFEDLO C=CCC[C@@H](O)C[N@@H+]1CCc2c(nnn2CC)[C@@H]1COCc1ccccc1 ZINC001252595428 1039605850 /nfs/dbraw/zinc/60/58/50/1039605850.db2.gz HPIZXOHSCJSGBZ-QUCCMNQESA-N 1 2 370.497 2.741 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)c2ccccc2)C1 ZINC001210688035 1039672067 /nfs/dbraw/zinc/67/20/67/1039672067.db2.gz LVHCKEACMNCJHY-RVKKMQEKSA-N 1 2 350.890 2.996 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)c2ccccc2)C1 ZINC001210688035 1039672075 /nfs/dbraw/zinc/67/20/75/1039672075.db2.gz LVHCKEACMNCJHY-RVKKMQEKSA-N 1 2 350.890 2.996 20 30 FFEDLO Cn1cc(CN2CCC23C[NH+](Cc2c(O)cccc2Cl)C3)cc1C#N ZINC001278491016 1039876729 /nfs/dbraw/zinc/87/67/29/1039876729.db2.gz OWUGNPZEHBCTOR-UHFFFAOYSA-N 1 2 356.857 2.716 20 30 FFEDLO COCCOCN1CC2(C1)CCC[N@H+](Cc1cccc(Cl)c1C#N)C2 ZINC001278691727 1039908896 /nfs/dbraw/zinc/90/88/96/1039908896.db2.gz DPBFLBWDUMNFGD-UHFFFAOYSA-N 1 2 363.889 2.730 20 30 FFEDLO COCCOCN1CC2(C1)CCC[N@@H+](Cc1cccc(Cl)c1C#N)C2 ZINC001278691727 1039908907 /nfs/dbraw/zinc/90/89/07/1039908907.db2.gz DPBFLBWDUMNFGD-UHFFFAOYSA-N 1 2 363.889 2.730 20 30 FFEDLO C=CCCCNC(=S)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001247727993 1039917405 /nfs/dbraw/zinc/91/74/05/1039917405.db2.gz VZZLSICAVPGRPC-UHFFFAOYSA-N 1 2 360.527 2.594 20 30 FFEDLO C=CCCCCCC[C@H](O)CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC001253233429 1040057868 /nfs/dbraw/zinc/05/78/68/1040057868.db2.gz DZDDUOTWNPMJQD-IBGZPJMESA-N 1 2 350.507 2.515 20 30 FFEDLO C=CCCCCCC[C@H](O)C[N@H+]1CCc2c(nnn2C)[C@@H]1COCC=C ZINC001253235966 1040059644 /nfs/dbraw/zinc/05/96/44/1040059644.db2.gz PMOOCLUSWSGDKQ-HKUYNNGSSA-N 1 2 362.518 2.804 20 30 FFEDLO C=CCCCCCC[C@H](O)C[N@@H+]1CCc2c(nnn2C)[C@@H]1COCC=C ZINC001253235966 1040059653 /nfs/dbraw/zinc/05/96/53/1040059653.db2.gz PMOOCLUSWSGDKQ-HKUYNNGSSA-N 1 2 362.518 2.804 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)OCCC(C)C)C1 ZINC001211427947 1040187796 /nfs/dbraw/zinc/18/77/96/1040187796.db2.gz SOJKWNJQXKILRT-VHDGCEQUSA-N 1 2 361.324 2.783 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)OCCC(C)C)C1 ZINC001211427947 1040187802 /nfs/dbraw/zinc/18/78/02/1040187802.db2.gz SOJKWNJQXKILRT-VHDGCEQUSA-N 1 2 361.324 2.783 20 30 FFEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC001211431700 1040192195 /nfs/dbraw/zinc/19/21/95/1040192195.db2.gz OYWHCROIPGEEMX-FQEVSTJZSA-N 1 2 369.490 2.781 20 30 FFEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC001211431700 1040192205 /nfs/dbraw/zinc/19/22/05/1040192205.db2.gz OYWHCROIPGEEMX-FQEVSTJZSA-N 1 2 369.490 2.781 20 30 FFEDLO C=C[C@@H](O)CNc1ccc[nH+]c1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001253571510 1040245558 /nfs/dbraw/zinc/24/55/58/1040245558.db2.gz DUDGZRIWWGKNNI-OAHLLOKOSA-N 1 2 362.474 2.534 20 30 FFEDLO CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc(C#N)c1 ZINC001278735419 1040306300 /nfs/dbraw/zinc/30/63/00/1040306300.db2.gz WRODRVITGSVVLZ-KDURUIRLSA-N 1 2 353.445 2.763 20 30 FFEDLO CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc(C#N)c1 ZINC001278735419 1040306311 /nfs/dbraw/zinc/30/63/11/1040306311.db2.gz WRODRVITGSVVLZ-KDURUIRLSA-N 1 2 353.445 2.763 20 30 FFEDLO C[C@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC001260041413 1040373297 /nfs/dbraw/zinc/37/32/97/1040373297.db2.gz DCDQFPQQLWDKCT-QGZVFWFLSA-N 1 2 369.490 2.767 20 30 FFEDLO CCCCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2OC)CC1 ZINC001213386022 1040499354 /nfs/dbraw/zinc/49/93/54/1040499354.db2.gz ZHEKYCFUHBDHOJ-IAGOWNOFSA-N 1 2 361.511 2.906 20 30 FFEDLO CCCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2OC)CC1 ZINC001213386022 1040499392 /nfs/dbraw/zinc/49/93/92/1040499392.db2.gz ZHEKYCFUHBDHOJ-IAGOWNOFSA-N 1 2 361.511 2.906 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1OC ZINC001213390287 1040503753 /nfs/dbraw/zinc/50/37/53/1040503753.db2.gz WMIWDWAPSBOAQS-LMMKCTJWSA-N 1 2 352.425 2.883 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1OC ZINC001213390287 1040503772 /nfs/dbraw/zinc/50/37/72/1040503772.db2.gz WMIWDWAPSBOAQS-LMMKCTJWSA-N 1 2 352.425 2.883 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213390267 1040505519 /nfs/dbraw/zinc/50/55/19/1040505519.db2.gz WAJXZQILGGYRKW-SFHLNBCPSA-N 1 2 358.457 2.595 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001213390267 1040505539 /nfs/dbraw/zinc/50/55/39/1040505539.db2.gz WAJXZQILGGYRKW-SFHLNBCPSA-N 1 2 358.457 2.595 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)[C@@H](C)C(C)C ZINC001213511545 1040625713 /nfs/dbraw/zinc/62/57/13/1040625713.db2.gz MPZXFTINSYWVNK-KFKAGJAMSA-N 1 2 362.901 2.799 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)[C@@H](C)C(C)C ZINC001213511545 1040625719 /nfs/dbraw/zinc/62/57/19/1040625719.db2.gz MPZXFTINSYWVNK-KFKAGJAMSA-N 1 2 362.901 2.799 20 30 FFEDLO CCOC(=O)[C@H](CS)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254345669 1040680827 /nfs/dbraw/zinc/68/08/27/1040680827.db2.gz FFXHJPOQFRMUOF-PQUAAJSLSA-N 1 2 350.459 2.981 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1OC)c1ccccc1 ZINC001213895809 1041040062 /nfs/dbraw/zinc/04/00/62/1041040062.db2.gz NGYXSAAKTOBZJC-VAMGGRTRSA-N 1 2 369.465 2.658 20 30 FFEDLO C=CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H]1OC)c1ccccc1 ZINC001213895809 1041040075 /nfs/dbraw/zinc/04/00/75/1041040075.db2.gz NGYXSAAKTOBZJC-VAMGGRTRSA-N 1 2 369.465 2.658 20 30 FFEDLO CCCCCCCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001213895565 1041040383 /nfs/dbraw/zinc/04/03/83/1041040383.db2.gz HRPWWROFHLRUJG-VAMGGRTRSA-N 1 2 366.546 2.838 20 30 FFEDLO CCCCCCCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001213895565 1041040399 /nfs/dbraw/zinc/04/03/99/1041040399.db2.gz HRPWWROFHLRUJG-VAMGGRTRSA-N 1 2 366.546 2.838 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2conc2CC)C[C@H]1OC)c1ccccc1 ZINC001213903401 1041055303 /nfs/dbraw/zinc/05/53/03/1041055303.db2.gz UVPULIAWVXNQQV-DFQSSKMNSA-N 1 2 369.465 2.522 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2conc2CC)C[C@H]1OC)c1ccccc1 ZINC001213903401 1041055318 /nfs/dbraw/zinc/05/53/18/1041055318.db2.gz UVPULIAWVXNQQV-DFQSSKMNSA-N 1 2 369.465 2.522 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ns3)C[C@H]2OC)CCCC1 ZINC001214004119 1041152848 /nfs/dbraw/zinc/15/28/48/1041152848.db2.gz JREGNUALPKXFQD-IAGOWNOFSA-N 1 2 363.527 2.903 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ns3)C[C@H]2OC)CCCC1 ZINC001214004119 1041152853 /nfs/dbraw/zinc/15/28/53/1041152853.db2.gz JREGNUALPKXFQD-IAGOWNOFSA-N 1 2 363.527 2.903 20 30 FFEDLO CCOC(=O)c1cn2nc([C@H]3CCC[N@@H+]([C@H](CC)CC#N)C3)sc2n1 ZINC001255177108 1041181978 /nfs/dbraw/zinc/18/19/78/1041181978.db2.gz MLIVGBZXLRMSSH-QWHCGFSZSA-N 1 2 361.471 2.839 20 30 FFEDLO CCOC(=O)c1cn2nc([C@H]3CCC[N@H+]([C@H](CC)CC#N)C3)sc2n1 ZINC001255177108 1041181984 /nfs/dbraw/zinc/18/19/84/1041181984.db2.gz MLIVGBZXLRMSSH-QWHCGFSZSA-N 1 2 361.471 2.839 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@@H]4[C@H](C3)C4(F)F)CC2)cc1 ZINC001261663538 1041360496 /nfs/dbraw/zinc/36/04/96/1041360496.db2.gz MNBLIYHZKFEYLQ-KURKYZTESA-N 1 2 374.435 2.819 20 30 FFEDLO C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4ccc(C#N)c(F)c4)nc3c2)CC1 ZINC001250785105 1041364092 /nfs/dbraw/zinc/36/40/92/1041364092.db2.gz BMTBARGCYZPBBH-UHFFFAOYSA-N 1 2 363.396 2.628 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC001215324912 1041739024 /nfs/dbraw/zinc/73/90/24/1041739024.db2.gz RYPRPARTCMFRJO-HZPDHXFCSA-N 1 2 360.502 2.887 20 30 FFEDLO C=CCCC1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(CC4CC4)no3)C2)CC1 ZINC001215482677 1041801176 /nfs/dbraw/zinc/80/11/76/1041801176.db2.gz QNEVOSWFIPIKOT-GDBMZVCRSA-N 1 2 358.486 2.705 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001262941298 1041977954 /nfs/dbraw/zinc/97/79/54/1041977954.db2.gz HYNCQYNHRVPXMT-XHSDSOJGSA-N 1 2 365.547 2.576 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001262941298 1041977959 /nfs/dbraw/zinc/97/79/59/1041977959.db2.gz HYNCQYNHRVPXMT-XHSDSOJGSA-N 1 2 365.547 2.576 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(CCC#N)CC1CC1 ZINC001262978215 1042004918 /nfs/dbraw/zinc/00/49/18/1042004918.db2.gz ZRHVCIRNFUSGJW-UHFFFAOYSA-N 1 2 367.501 2.687 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnn2)C1 ZINC001216810109 1042130356 /nfs/dbraw/zinc/13/03/56/1042130356.db2.gz BQXXTVYVOOFXQD-SZVBFZGTSA-N 1 2 370.522 2.910 20 30 FFEDLO C=C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)no2)C1)c1ccccc1 ZINC001216810760 1042131284 /nfs/dbraw/zinc/13/12/84/1042131284.db2.gz YMKOHFXSPHULML-UWWQBHOKSA-N 1 2 354.454 2.674 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC001263395440 1042279458 /nfs/dbraw/zinc/27/94/58/1042279458.db2.gz XPLOWGBATHVTMY-KSZLIROESA-N 1 2 374.533 2.844 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC001263395440 1042279461 /nfs/dbraw/zinc/27/94/61/1042279461.db2.gz XPLOWGBATHVTMY-KSZLIROESA-N 1 2 374.533 2.844 20 30 FFEDLO CC(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1cccc(C#N)c1 ZINC001263421579 1042298183 /nfs/dbraw/zinc/29/81/83/1042298183.db2.gz WYYMCWKIKQAKJL-UHFFFAOYSA-N 1 2 363.469 2.766 20 30 FFEDLO C=CCCCN(CC)c1nnc(Cc2[nH+]ccn2C)n1Cc1cc(C)on1 ZINC001263781970 1042479458 /nfs/dbraw/zinc/47/94/58/1042479458.db2.gz TYHKHZYICZIMEC-UHFFFAOYSA-N 1 2 369.473 2.740 20 30 FFEDLO C=CCN(CC=C)c1nnc([C@@H]2CCCC[N@H+]2C)n1Cc1cc(C)on1 ZINC001263807353 1042489163 /nfs/dbraw/zinc/48/91/63/1042489163.db2.gz YJWVKWSHGDLJAK-KRWDZBQOSA-N 1 2 356.474 2.958 20 30 FFEDLO C=CCN(CC=C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1Cc1cc(C)on1 ZINC001263807353 1042489167 /nfs/dbraw/zinc/48/91/67/1042489167.db2.gz YJWVKWSHGDLJAK-KRWDZBQOSA-N 1 2 356.474 2.958 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C4CC4)nn3C)CC[C@@H]2C1 ZINC001264650522 1042769540 /nfs/dbraw/zinc/76/95/40/1042769540.db2.gz VBMCBMYUXKGSJU-JQHSSLGASA-N 1 2 371.529 2.575 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[N@H+](Cc3nc(C4CC4)nn3C)CC[C@@H]2C1 ZINC001264650522 1042769543 /nfs/dbraw/zinc/76/95/43/1042769543.db2.gz VBMCBMYUXKGSJU-JQHSSLGASA-N 1 2 371.529 2.575 20 30 FFEDLO CC(C)(C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCCO1 ZINC001538547402 1070450777 /nfs/dbraw/zinc/45/07/77/1070450777.db2.gz IJWIBIUEGXAUBY-LJQANCHMSA-N 1 2 355.482 2.798 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3Cc4ccccc4O3)CC2)cc1 ZINC001538547581 1070451135 /nfs/dbraw/zinc/45/11/35/1070451135.db2.gz LQUSRTJYFSMJJH-HXUWFJFHSA-N 1 2 361.445 2.596 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CCCC(F)(F)F ZINC001279233854 1042957818 /nfs/dbraw/zinc/95/78/18/1042957818.db2.gz WGUMAIGBIQEIEW-SJORKVTESA-N 1 2 353.388 2.786 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CCCC(F)(F)F ZINC001279233854 1042957821 /nfs/dbraw/zinc/95/78/21/1042957821.db2.gz WGUMAIGBIQEIEW-SJORKVTESA-N 1 2 353.388 2.786 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cn3cc(C#N)ccc3n2)CC12CC2 ZINC001237609938 1043269323 /nfs/dbraw/zinc/26/93/23/1043269323.db2.gz YJAZOFLSEQDYIU-MRXNPFEDSA-N 1 2 367.453 2.695 20 30 FFEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cn3cc(C#N)ccc3n2)CC12CC2 ZINC001237609938 1043269332 /nfs/dbraw/zinc/26/93/32/1043269332.db2.gz YJAZOFLSEQDYIU-MRXNPFEDSA-N 1 2 367.453 2.695 20 30 FFEDLO Cn1cc(C[N@@H+]2CCC23CN(Cc2cc(C(C)(C)C)c[nH]2)C3)cc1C#N ZINC001279718960 1043522378 /nfs/dbraw/zinc/52/23/78/1043522378.db2.gz SJDJTNBGMLOXRE-UHFFFAOYSA-N 1 2 351.498 2.983 20 30 FFEDLO Cn1cc(C[N@H+]2CCC23CN(Cc2cc(C(C)(C)C)c[nH]2)C3)cc1C#N ZINC001279718960 1043522384 /nfs/dbraw/zinc/52/23/84/1043522384.db2.gz SJDJTNBGMLOXRE-UHFFFAOYSA-N 1 2 351.498 2.983 20 30 FFEDLO CCOC[C@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)Cc2cn(CC)nc21 ZINC001238406602 1043690819 /nfs/dbraw/zinc/69/08/19/1043690819.db2.gz HXRDNYXRQGLQJQ-GOSISDBHSA-N 1 2 354.454 2.919 20 30 FFEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)Cc2cn(CC)nc21 ZINC001238406602 1043690829 /nfs/dbraw/zinc/69/08/29/1043690829.db2.gz HXRDNYXRQGLQJQ-GOSISDBHSA-N 1 2 354.454 2.919 20 30 FFEDLO CCCCCCCCCCCCNC(=S)N1CC[NH2+][C@H](C(N)=O)C1 ZINC001239437412 1044122454 /nfs/dbraw/zinc/12/24/54/1044122454.db2.gz XAFMDYRLCXFXHT-INIZCTEOSA-N 1 2 356.580 2.541 20 30 FFEDLO C#CCN(C(=O)N[C@H](CC)C[NH+]1CCOCC1)[C@H]1CCCc2ccccc21 ZINC001313316636 1044311715 /nfs/dbraw/zinc/31/17/15/1044311715.db2.gz BBCRRXUXVXPQQV-CTNGQTDRSA-N 1 2 369.509 2.820 20 30 FFEDLO N#CC1(NC(=O)c2n[nH]c3c2CC[N@H+](CCCC2CCCC2)C3)CCC1 ZINC001280210341 1044403990 /nfs/dbraw/zinc/40/39/90/1044403990.db2.gz XLYVBPCBMKQODJ-UHFFFAOYSA-N 1 2 355.486 2.914 20 30 FFEDLO N#CC1(NC(=O)c2n[nH]c3c2CC[N@@H+](CCCC2CCCC2)C3)CCC1 ZINC001280210341 1044403994 /nfs/dbraw/zinc/40/39/94/1044403994.db2.gz XLYVBPCBMKQODJ-UHFFFAOYSA-N 1 2 355.486 2.914 20 30 FFEDLO N#CC1(NC(=O)c2[nH]nc3c2CC[N@H+](CCCC2CCCC2)C3)CCC1 ZINC001280210341 1044404000 /nfs/dbraw/zinc/40/40/00/1044404000.db2.gz XLYVBPCBMKQODJ-UHFFFAOYSA-N 1 2 355.486 2.914 20 30 FFEDLO N#CC1(NC(=O)c2[nH]nc3c2CC[N@@H+](CCCC2CCCC2)C3)CCC1 ZINC001280210341 1044404008 /nfs/dbraw/zinc/40/40/08/1044404008.db2.gz XLYVBPCBMKQODJ-UHFFFAOYSA-N 1 2 355.486 2.914 20 30 FFEDLO CN(C(=O)[C@@H]1CC12C[NH+](Cc1ccc(C#N)cc1F)C2)C1CC(F)(F)C1 ZINC001280323223 1044605665 /nfs/dbraw/zinc/60/56/65/1044605665.db2.gz KRZCYVHDNPJVQC-HNNXBMFYSA-N 1 2 363.383 2.775 20 30 FFEDLO Cc1noc(NC(=O)[C@@H]2CC23C[NH+](Cc2ccc(C#N)cc2F)C3)c1C ZINC001280323559 1044605966 /nfs/dbraw/zinc/60/59/66/1044605966.db2.gz WQOYOINUYIILCD-HNNXBMFYSA-N 1 2 354.385 2.763 20 30 FFEDLO N#CCc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC001319017170 1044984826 /nfs/dbraw/zinc/98/48/26/1044984826.db2.gz RTZBEKGYFMLMGH-UHFFFAOYSA-N 1 2 370.409 2.556 20 30 FFEDLO Cc1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)c1C#N ZINC001319480964 1045164657 /nfs/dbraw/zinc/16/46/57/1045164657.db2.gz JDSOPWCGYPCNEV-IEBWSBKVSA-N 1 2 373.453 2.730 20 30 FFEDLO Cc1cccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c1C#N ZINC001319480964 1045164663 /nfs/dbraw/zinc/16/46/63/1045164663.db2.gz JDSOPWCGYPCNEV-IEBWSBKVSA-N 1 2 373.453 2.730 20 30 FFEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC001319676712 1045237483 /nfs/dbraw/zinc/23/74/83/1045237483.db2.gz ZCOWPGQCQYMBEE-JOCHJYFZSA-N 1 2 361.445 2.910 20 30 FFEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC001319676712 1045237495 /nfs/dbraw/zinc/23/74/95/1045237495.db2.gz ZCOWPGQCQYMBEE-JOCHJYFZSA-N 1 2 361.445 2.910 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CC2(OC)CCC(C)CC2)CC1 ZINC001539431276 1070636528 /nfs/dbraw/zinc/63/65/28/1070636528.db2.gz QQNIXIDVEDDRJO-UHFFFAOYSA-N 1 2 373.545 2.752 20 30 FFEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC001319772882 1045268214 /nfs/dbraw/zinc/26/82/14/1045268214.db2.gz GMJAJUCEXJZRBW-UHFFFAOYSA-N 1 2 368.462 2.812 20 30 FFEDLO C#CCOCC[N@H+](C)CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC001319772882 1045268218 /nfs/dbraw/zinc/26/82/18/1045268218.db2.gz GMJAJUCEXJZRBW-UHFFFAOYSA-N 1 2 368.462 2.812 20 30 FFEDLO C#C[C@]1(C)CCCN1c1nnc(C)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001539539777 1070656124 /nfs/dbraw/zinc/65/61/24/1070656124.db2.gz YOZHZYIMVVAORV-OAQYLSRUSA-N 1 2 360.465 2.872 20 30 FFEDLO C=CCO[C@@H]1CCN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC001323758161 1045714760 /nfs/dbraw/zinc/71/47/60/1045714760.db2.gz VZEYWIOXMYUHOK-VQIMIIECSA-N 1 2 359.470 2.889 20 30 FFEDLO C=C1CCN(c2nnc(-c3cccnc3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001539841854 1070709813 /nfs/dbraw/zinc/70/98/13/1070709813.db2.gz BYMJZOSLAUEIDB-UHFFFAOYSA-N 1 2 362.437 2.948 20 30 FFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccc(OCC#N)cc2)C1 ZINC001322643467 1046162225 /nfs/dbraw/zinc/16/22/25/1046162225.db2.gz OVQOHZSPIOUXEE-OAHLLOKOSA-N 1 2 353.426 2.809 20 30 FFEDLO C=CCCC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001282836321 1046292937 /nfs/dbraw/zinc/29/29/37/1046292937.db2.gz UGIUFMCYMNIDGN-QYWGDWMGSA-N 1 2 370.497 2.541 20 30 FFEDLO C=CC[C@@H](CC)NC(=O)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC001326689516 1047036918 /nfs/dbraw/zinc/03/69/18/1047036918.db2.gz GVPANLAABUSFQM-GOSISDBHSA-N 1 2 372.513 2.617 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CC[C@](C)(CC)O2)CC1 ZINC001286470072 1047119596 /nfs/dbraw/zinc/11/95/96/1047119596.db2.gz RYYWWXKBAOBANE-UTKZUKDTSA-N 1 2 373.545 2.679 20 30 FFEDLO C=C1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001286649390 1047147601 /nfs/dbraw/zinc/14/76/01/1047147601.db2.gz SXMKHAKSEZFFPF-GOSISDBHSA-N 1 2 373.545 2.888 20 30 FFEDLO C=CCN(CCOC)c1nnc(C(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001286766195 1047173194 /nfs/dbraw/zinc/17/31/94/1047173194.db2.gz YPBXNRLEMSTKCH-UHFFFAOYSA-N 1 2 372.517 2.724 20 30 FFEDLO N#Cc1cccc2c1CCCN2C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001327156409 1047212970 /nfs/dbraw/zinc/21/29/70/1047212970.db2.gz ZXBHQHLNEMMGHW-OAQYLSRUSA-N 1 2 361.445 2.738 20 30 FFEDLO N#Cc1cccc2c1CCCN2C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001327156409 1047212980 /nfs/dbraw/zinc/21/29/80/1047212980.db2.gz ZXBHQHLNEMMGHW-OAQYLSRUSA-N 1 2 361.445 2.738 20 30 FFEDLO Cc1c(N)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC001290046565 1047813047 /nfs/dbraw/zinc/81/30/47/1047813047.db2.gz RWMRHIFJLXMWAE-UHFFFAOYSA-N 1 2 352.413 2.546 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCC1 ZINC001290214194 1047928844 /nfs/dbraw/zinc/92/88/44/1047928844.db2.gz AZXRSHJLMODAOL-YLFCFFPRSA-N 1 2 370.497 2.661 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCC1 ZINC001290214194 1047928851 /nfs/dbraw/zinc/92/88/51/1047928851.db2.gz AZXRSHJLMODAOL-YLFCFFPRSA-N 1 2 370.497 2.661 20 30 FFEDLO N#Cc1ccc(OC2C[NH+](Cc3ccc(O[C@H]4CCOC4)cc3)C2)cc1 ZINC001328201453 1048221822 /nfs/dbraw/zinc/22/18/22/1048221822.db2.gz VHMORPBSQVGREW-FQEVSTJZSA-N 1 2 350.418 2.989 20 30 FFEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC ZINC001329440568 1048721706 /nfs/dbraw/zinc/72/17/06/1048721706.db2.gz JEOSIMORAGNKQA-UKPHBRMFSA-N 1 2 366.889 2.996 20 30 FFEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC ZINC001329440568 1048721719 /nfs/dbraw/zinc/72/17/19/1048721719.db2.gz JEOSIMORAGNKQA-UKPHBRMFSA-N 1 2 366.889 2.996 20 30 FFEDLO CCCCCCCCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001292412855 1049337490 /nfs/dbraw/zinc/33/74/90/1049337490.db2.gz OGUOYWOQBNIYBE-IAGOWNOFSA-N 1 2 360.502 2.935 20 30 FFEDLO CCCCCCCCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001292412855 1049337510 /nfs/dbraw/zinc/33/75/10/1049337510.db2.gz OGUOYWOQBNIYBE-IAGOWNOFSA-N 1 2 360.502 2.935 20 30 FFEDLO CC(=[NH+]Nc1ccccc1S(=O)(=O)N(C)C)c1c(C)cc(N)cc1C ZINC001330885409 1049377519 /nfs/dbraw/zinc/37/75/19/1049377519.db2.gz BPUOWDUJZAPOIL-UHFFFAOYSA-N 1 2 360.483 2.972 20 30 FFEDLO Cc1ccc(F)c(CN(C)c2nnc(C3CC[NH+](CCC#N)CC3)n2C)c1 ZINC001339749959 1050170374 /nfs/dbraw/zinc/17/03/74/1050170374.db2.gz BNRWOOQWWXRISH-UHFFFAOYSA-N 1 2 370.476 2.992 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001339750245 1050171432 /nfs/dbraw/zinc/17/14/32/1050171432.db2.gz HQHWAPXQRUPAIF-UHFFFAOYSA-N 1 2 370.423 2.687 20 30 FFEDLO C=CCn1c(N(C)C[C@H](C)c2ccccc2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339853168 1050269493 /nfs/dbraw/zinc/26/94/93/1050269493.db2.gz HKMBNUXWZZIHKJ-CDXJDZJCSA-N 1 2 369.513 2.616 20 30 FFEDLO C=CCn1c(N(C)C[C@H](C)c2ccccc2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339853168 1050269500 /nfs/dbraw/zinc/26/95/00/1050269500.db2.gz HKMBNUXWZZIHKJ-CDXJDZJCSA-N 1 2 369.513 2.616 20 30 FFEDLO C=CCN(CCc1ccco1)c1nnc(Cc2[nH+]ccn2C)n1CC=C ZINC001339880958 1050297954 /nfs/dbraw/zinc/29/79/54/1050297954.db2.gz ZWFLFGZJMNKQSR-UHFFFAOYSA-N 1 2 352.442 2.617 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](CCC)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001341740074 1050357617 /nfs/dbraw/zinc/35/76/17/1050357617.db2.gz QZNUKLPIRMCMPU-SQGPQFPESA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CCC[C@H](CCC)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001341740074 1050357625 /nfs/dbraw/zinc/35/76/25/1050357625.db2.gz QZNUKLPIRMCMPU-SQGPQFPESA-N 1 2 361.534 2.782 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1cccc(F)c1 ZINC001341868893 1050477825 /nfs/dbraw/zinc/47/78/25/1050477825.db2.gz TWJNVKBEEJEWPR-UHFFFAOYSA-N 1 2 354.433 2.954 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCCC(C)(C)C1 ZINC001342130234 1050723469 /nfs/dbraw/zinc/72/34/69/1050723469.db2.gz RHCVWPBXIOGKGS-UHFFFAOYSA-N 1 2 361.534 2.685 20 30 FFEDLO C=CC(C)(C)NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001340545883 1050933780 /nfs/dbraw/zinc/93/37/80/1050933780.db2.gz DUWFEQJXELJJPZ-UHFFFAOYSA-N 1 2 352.438 2.906 20 30 FFEDLO CCOCCCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@](C)(C#N)C1 ZINC001342362318 1050956404 /nfs/dbraw/zinc/95/64/04/1050956404.db2.gz LTOAVGPTIHUCNX-YLJYHZDGSA-N 1 2 374.533 2.992 20 30 FFEDLO CCOCCCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@](C)(C#N)C1 ZINC001342362318 1050956414 /nfs/dbraw/zinc/95/64/14/1050956414.db2.gz LTOAVGPTIHUCNX-YLJYHZDGSA-N 1 2 374.533 2.992 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[C@@H](c2nccs2)C1 ZINC001342533454 1051136583 /nfs/dbraw/zinc/13/65/83/1051136583.db2.gz REULVNGMAFRHNL-OAHLLOKOSA-N 1 2 358.515 2.900 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001342797624 1051407942 /nfs/dbraw/zinc/40/79/42/1051407942.db2.gz CZZBHEUSSGWHHK-IAGOWNOFSA-N 1 2 361.534 2.541 20 30 FFEDLO Cc1cccc(CCCn2c([C@@H]3CCOC3)nnc2N(C)[C@H](C)CC#N)[nH+]1 ZINC001542645930 1071273171 /nfs/dbraw/zinc/27/31/71/1071273171.db2.gz ZZLFKAHDSKINFF-IAGOWNOFSA-N 1 2 368.485 2.857 20 30 FFEDLO C=C(C)Cn1c(Nc2cccc(OC)c2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001343402755 1052208018 /nfs/dbraw/zinc/20/80/18/1052208018.db2.gz BVRATZFBXGCSFP-HNAYVOBHSA-N 1 2 357.458 2.518 20 30 FFEDLO C=C(C)Cn1c(Nc2cccc(OC)c2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001343402755 1052208026 /nfs/dbraw/zinc/20/80/26/1052208026.db2.gz BVRATZFBXGCSFP-HNAYVOBHSA-N 1 2 357.458 2.518 20 30 FFEDLO C#CCN(CC)c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1C[C@@H]1CCOC1 ZINC001345566919 1052515498 /nfs/dbraw/zinc/51/54/98/1052515498.db2.gz JHIGWOXKPXKFMB-ZWKOTPCHSA-N 1 2 370.501 2.606 20 30 FFEDLO C#CCCCc1nnc(N2CCc3cc[nH+]c(N(C)C)c3C2)n1CC(=C)C ZINC001343965487 1052516926 /nfs/dbraw/zinc/51/69/26/1052516926.db2.gz CGDGJEGAEUTNHA-UHFFFAOYSA-N 1 2 364.497 2.834 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](Cn1c(C3CC3)nnc1N(C)C[C@@H](C)C#N)CCC2 ZINC001542832660 1071317065 /nfs/dbraw/zinc/31/70/65/1071317065.db2.gz VFYRCDSMIWWBBZ-BBRMVZONSA-N 1 2 353.474 2.834 20 30 FFEDLO N#Cc1sc2ccccc2c1S(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC001309185581 1052569434 /nfs/dbraw/zinc/56/94/34/1052569434.db2.gz ZUASTTIGPVCZGM-UHFFFAOYSA-N 1 2 361.492 2.632 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2CCC[C@@H](CC#N)C2)n1C[C@H]1CCCCO1 ZINC001345792414 1052614103 /nfs/dbraw/zinc/61/41/03/1052614103.db2.gz KDLVAGZJCLECTR-RCCFBDPRSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2CCC[C@@H](CC#N)C2)n1C[C@H]1CCCCO1 ZINC001345792414 1052614107 /nfs/dbraw/zinc/61/41/07/1052614107.db2.gz KDLVAGZJCLECTR-RCCFBDPRSA-N 1 2 372.517 2.744 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(F)(F)C3)n2CC(C)C)CC1 ZINC001344822407 1052941443 /nfs/dbraw/zinc/94/14/43/1052941443.db2.gz IMOKKTINMYCAMR-OAHLLOKOSA-N 1 2 351.445 2.592 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3CCC[N@H+]3C)n2Cc2cc(C)on2)C1 ZINC001346621372 1053163281 /nfs/dbraw/zinc/16/32/81/1053163281.db2.gz UZHBZFKBUYNBNC-SJLPKXTDSA-N 1 2 368.485 2.629 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3CCC[N@@H+]3C)n2Cc2cc(C)on2)C1 ZINC001346621372 1053163284 /nfs/dbraw/zinc/16/32/84/1053163284.db2.gz UZHBZFKBUYNBNC-SJLPKXTDSA-N 1 2 368.485 2.629 20 30 FFEDLO O=C(CCc1ccncc1)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001346720619 1053256239 /nfs/dbraw/zinc/25/62/39/1053256239.db2.gz VTXJIEIBBFTRJK-UHFFFAOYSA-N 1 2 370.474 2.503 20 30 FFEDLO C[C@@]1(C#N)CCCN(c2nnc(C[NH+]3CCCC3)n2C[C@@H]2CCCCO2)C1 ZINC001347024176 1053546462 /nfs/dbraw/zinc/54/64/62/1053546462.db2.gz REFVWLVULMZTDF-PXNSSMCTSA-N 1 2 372.517 2.573 20 30 FFEDLO C=C(C)CN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@H]1CCCO1 ZINC001347815007 1054349678 /nfs/dbraw/zinc/34/96/78/1054349678.db2.gz TWTBNYUTFNUDKK-GOSISDBHSA-N 1 2 372.517 2.562 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)c1ccc(OC(C)C)cc1 ZINC001351605149 1054917061 /nfs/dbraw/zinc/91/70/61/1054917061.db2.gz QZVACXWATTWNSA-AEFFLSMTSA-N 1 2 371.485 2.757 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)c1ccc(OC(C)C)cc1 ZINC001351605149 1054917067 /nfs/dbraw/zinc/91/70/67/1054917067.db2.gz QZVACXWATTWNSA-AEFFLSMTSA-N 1 2 371.485 2.757 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000847484172 1055895150 /nfs/dbraw/zinc/89/51/50/1055895150.db2.gz MDZMPERNWXWIEM-UHFFFAOYSA-N 1 2 368.437 2.923 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](C2CCCC2)C1 ZINC001350724858 1055910199 /nfs/dbraw/zinc/91/01/99/1055910199.db2.gz QECCXFCVWZGTQN-SFHVURJKSA-N 1 2 356.518 2.925 20 30 FFEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2sccc2C1 ZINC001338922585 1055937677 /nfs/dbraw/zinc/93/76/77/1055937677.db2.gz AFRUBNPMHXBXJR-UHFFFAOYSA-N 1 2 356.499 2.532 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)c2csc(Cc3ccc(F)cc3)n2)CC1 ZINC001544078106 1071592315 /nfs/dbraw/zinc/59/23/15/1071592315.db2.gz BBYYPFHEOBXFLG-UHFFFAOYSA-N 1 2 357.454 2.654 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)c2csc(Cc3ccc(F)cc3)n2)CC1 ZINC001544078106 1071592317 /nfs/dbraw/zinc/59/23/17/1071592317.db2.gz BBYYPFHEOBXFLG-UHFFFAOYSA-N 1 2 357.454 2.654 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001338994667 1055998045 /nfs/dbraw/zinc/99/80/45/1055998045.db2.gz HJGWIVCSCZJTIE-HZPDHXFCSA-N 1 2 374.558 2.887 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1cc2ccccc2[nH]1 ZINC001339211540 1056210076 /nfs/dbraw/zinc/21/00/76/1056210076.db2.gz QLTCVCCLMUSWAF-UHFFFAOYSA-N 1 2 361.453 2.906 20 30 FFEDLO C#CC[C@H](CC)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC1CC1 ZINC001351433643 1056261603 /nfs/dbraw/zinc/26/16/03/1056261603.db2.gz IOBDZJMTOIJXAW-SFHVURJKSA-N 1 2 364.497 2.927 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCS[C@H](CC)C1 ZINC001339486121 1056502430 /nfs/dbraw/zinc/50/24/30/1056502430.db2.gz QQTWMKNQRVYBNY-CVEARBPZSA-N 1 2 365.547 2.578 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCS[C@H](CC)C1 ZINC001339486121 1056502445 /nfs/dbraw/zinc/50/24/45/1056502445.db2.gz QQTWMKNQRVYBNY-CVEARBPZSA-N 1 2 365.547 2.578 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(Cc1cccs1)C(C)C ZINC001339532804 1056554388 /nfs/dbraw/zinc/55/43/88/1056554388.db2.gz ZIDKBGUKQWYUMM-GDBMZVCRSA-N 1 2 361.515 2.678 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(Cc1cccs1)C(C)C ZINC001339532804 1056554399 /nfs/dbraw/zinc/55/43/99/1056554399.db2.gz ZIDKBGUKQWYUMM-GDBMZVCRSA-N 1 2 361.515 2.678 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCc2ccc(O)cc2C1 ZINC001339568586 1056593528 /nfs/dbraw/zinc/59/35/28/1056593528.db2.gz VSWUUUGDRIUIIT-UHFFFAOYSA-N 1 2 353.470 2.718 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CC2CCCCC2)CC1 ZINC001359035195 1056666877 /nfs/dbraw/zinc/66/68/77/1056666877.db2.gz NZYYHNIRWCLWHU-LJQANCHMSA-N 1 2 371.529 2.855 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC)CC1 ZINC001359038075 1056669053 /nfs/dbraw/zinc/66/90/53/1056669053.db2.gz JOHSITCTKYSDAH-UHFFFAOYSA-N 1 2 367.497 2.639 20 30 FFEDLO C[C@H]1CCC[C@@H](CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])O1 ZINC000849174618 1056790203 /nfs/dbraw/zinc/79/02/03/1056790203.db2.gz SCMMKLZRLZWWSB-KBPBESRZSA-N 1 2 354.454 2.604 20 30 FFEDLO C=CCN(c1nnc(C)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1)C1CC1 ZINC001359247171 1056883968 /nfs/dbraw/zinc/88/39/68/1056883968.db2.gz USPLAPFDESZINQ-FQEVSTJZSA-N 1 2 367.497 2.815 20 30 FFEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)c3ccc(C)c(C#N)c3)C2)cc1 ZINC001544668530 1071675805 /nfs/dbraw/zinc/67/58/05/1071675805.db2.gz AWWWZBZGHDSGRX-OAQYLSRUSA-N 1 2 363.461 2.806 20 30 FFEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)c3ccc(C)c(C#N)c3)C2)cc1 ZINC001544668530 1071675807 /nfs/dbraw/zinc/67/58/07/1071675807.db2.gz AWWWZBZGHDSGRX-OAQYLSRUSA-N 1 2 363.461 2.806 20 30 FFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H](C#N)CCc2ccccc2)C1 ZINC001445621434 1058424901 /nfs/dbraw/zinc/42/49/01/1058424901.db2.gz ARPCZLPEKIQOMZ-OALUTQOASA-N 1 2 350.466 2.974 20 30 FFEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCOC1 ZINC001519584119 1058853316 /nfs/dbraw/zinc/85/33/16/1058853316.db2.gz OTIFYNYXTWFNPA-QZTJIDSGSA-N 1 2 372.517 2.601 20 30 FFEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCOC1 ZINC001519584119 1058853341 /nfs/dbraw/zinc/85/33/41/1058853341.db2.gz OTIFYNYXTWFNPA-QZTJIDSGSA-N 1 2 372.517 2.601 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2CC)C1 ZINC001520034497 1059331001 /nfs/dbraw/zinc/33/10/01/1059331001.db2.gz ZQDFWJGWPDNGQV-DLBZAZTESA-N 1 2 358.486 2.515 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CC2(CCOCC)CC2)CC1 ZINC001300698376 1059396629 /nfs/dbraw/zinc/39/66/29/1059396629.db2.gz ROMXMUVUVMFHTC-UHFFFAOYSA-N 1 2 371.529 2.508 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)n2CC=C)C1 ZINC001520245106 1059530066 /nfs/dbraw/zinc/53/00/66/1059530066.db2.gz SSKMKKULRWNOPR-CEXWTWQISA-N 1 2 369.513 2.630 20 30 FFEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3C[N@H+]4CCCC[C@H]4CO3)n2CC=C)C1 ZINC001520245106 1059530083 /nfs/dbraw/zinc/53/00/83/1059530083.db2.gz SSKMKKULRWNOPR-CEXWTWQISA-N 1 2 369.513 2.630 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC001515323939 1059551625 /nfs/dbraw/zinc/55/16/25/1059551625.db2.gz JNZHJVSJRSEHJO-UWVAXJGDSA-N 1 2 360.502 2.619 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2CCC(C)C)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001520568684 1059810498 /nfs/dbraw/zinc/81/04/98/1059810498.db2.gz YXIRVDLBGFATEG-UWVAXJGDSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2CCC(C)C)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001520568684 1059810519 /nfs/dbraw/zinc/81/05/19/1059810519.db2.gz YXIRVDLBGFATEG-UWVAXJGDSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2CCC(C)C)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001520568682 1059811069 /nfs/dbraw/zinc/81/10/69/1059811069.db2.gz YXIRVDLBGFATEG-MBOZVWFJSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2CCC(C)C)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001520568682 1059811098 /nfs/dbraw/zinc/81/10/98/1059811098.db2.gz YXIRVDLBGFATEG-MBOZVWFJSA-N 1 2 361.534 2.781 20 30 FFEDLO COCCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001355086823 1059876147 /nfs/dbraw/zinc/87/61/47/1059876147.db2.gz VULAYZWSLGRAPU-SFHVURJKSA-N 1 2 368.485 2.589 20 30 FFEDLO COCCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001355086823 1059876171 /nfs/dbraw/zinc/87/61/71/1059876171.db2.gz VULAYZWSLGRAPU-SFHVURJKSA-N 1 2 368.485 2.589 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CC)CCSC ZINC001516046214 1059940127 /nfs/dbraw/zinc/94/01/27/1059940127.db2.gz HQDDGMWZOGERNQ-INIZCTEOSA-N 1 2 367.563 2.825 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(CC)CCSC ZINC001516046214 1059940144 /nfs/dbraw/zinc/94/01/44/1059940144.db2.gz HQDDGMWZOGERNQ-INIZCTEOSA-N 1 2 367.563 2.825 20 30 FFEDLO C=C(C)Cn1c(CC(C)(C)O)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001516214637 1060000771 /nfs/dbraw/zinc/00/07/71/1060000771.db2.gz DZDQHXIJARBXQC-UHFFFAOYSA-N 1 2 370.501 2.644 20 30 FFEDLO Cc1cc(NCCNC(=O)[C@H](C)Oc2ccc(C#N)cc2)nc(C(C)C)[nH+]1 ZINC000600367220 1060317233 /nfs/dbraw/zinc/31/72/33/1060317233.db2.gz PZJBZADBMVXVHI-HNNXBMFYSA-N 1 2 367.453 2.776 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[NH+]2CC(O)(c3cccc4ccccc43)C2)cc1 ZINC000848674101 1060434344 /nfs/dbraw/zinc/43/43/44/1060434344.db2.gz KWNBHMGWNCNMTA-IBGZPJMESA-N 1 2 374.440 2.655 20 30 FFEDLO C=CCC1(C(=O)N(C)C2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCC1 ZINC001511957945 1060480028 /nfs/dbraw/zinc/48/00/28/1060480028.db2.gz MBHZTVPDEKDJIZ-BHUNQDJPSA-N 1 2 370.497 2.755 20 30 FFEDLO C=CCC1(C(=O)N(C)C2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCC1 ZINC001511957945 1060480040 /nfs/dbraw/zinc/48/00/40/1060480040.db2.gz MBHZTVPDEKDJIZ-BHUNQDJPSA-N 1 2 370.497 2.755 20 30 FFEDLO CC(C)(C)OC(=O)C[NH+]1CCC(Nc2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC001458598769 1060632032 /nfs/dbraw/zinc/63/20/32/1060632032.db2.gz MEOQVRPUJMTDQP-UHFFFAOYSA-N 1 2 360.414 2.684 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001512828978 1060698949 /nfs/dbraw/zinc/69/89/49/1060698949.db2.gz OGZBFJRNTSZNCJ-YZVOILCLSA-N 1 2 366.465 2.838 20 30 FFEDLO C=C(C)Cn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1C1(OC)CC1 ZINC001355903024 1060712861 /nfs/dbraw/zinc/71/28/61/1060712861.db2.gz BYLJOTUASZJTBM-UHFFFAOYSA-N 1 2 368.485 2.966 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@H]1CC1CCCC1 ZINC001355919430 1060727382 /nfs/dbraw/zinc/72/73/82/1060727382.db2.gz JFWPBPWNLQGMME-KSZLIROESA-N 1 2 359.518 2.751 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@H]1CC1CCCC1 ZINC001355919430 1060727396 /nfs/dbraw/zinc/72/73/96/1060727396.db2.gz JFWPBPWNLQGMME-KSZLIROESA-N 1 2 359.518 2.751 20 30 FFEDLO C=CC[C@@H]1N(c2nnc([C@H]3C[C@@H](O)C[N@H+]3C)n2CC=C)CCCC1(C)C ZINC001355920635 1060729775 /nfs/dbraw/zinc/72/97/75/1060729775.db2.gz URERLVLEWUTZHR-ZACQAIPSSA-N 1 2 359.518 2.773 20 30 FFEDLO C=CC[C@@H]1N(c2nnc([C@H]3C[C@@H](O)C[N@@H+]3C)n2CC=C)CCCC1(C)C ZINC001355920635 1060729788 /nfs/dbraw/zinc/72/97/88/1060729788.db2.gz URERLVLEWUTZHR-ZACQAIPSSA-N 1 2 359.518 2.773 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 ZINC001355969247 1060770757 /nfs/dbraw/zinc/77/07/57/1060770757.db2.gz QKSTYWHYPPHHPN-FUHWJXTLSA-N 1 2 361.534 2.683 20 30 FFEDLO N#Cc1ccc(-n2ccc(NC(=O)NCCCCn3cc[nH+]c3)n2)c(F)c1 ZINC000542033344 1060937992 /nfs/dbraw/zinc/93/79/92/1060937992.db2.gz RVAMPYZHYYHMRK-UHFFFAOYSA-N 1 2 367.388 2.681 20 30 FFEDLO C[C@H]1CCN(S(=O)(=O)c2cccc(C#N)c2Cl)C[C@H]1n1cc[nH+]c1 ZINC001475089643 1060940957 /nfs/dbraw/zinc/94/09/57/1060940957.db2.gz YVWPQFPAYFSQPN-GXTWGEPZSA-N 1 2 364.858 2.680 20 30 FFEDLO COc1ccc(C[N@H+](CCO)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC001460692228 1061064671 /nfs/dbraw/zinc/06/46/71/1061064671.db2.gz LLVGTZUYRWZZOR-UHFFFAOYSA-N 1 2 373.840 2.653 20 30 FFEDLO COc1ccc(C[N@@H+](CCO)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC001460692228 1061064685 /nfs/dbraw/zinc/06/46/85/1061064685.db2.gz LLVGTZUYRWZZOR-UHFFFAOYSA-N 1 2 373.840 2.653 20 30 FFEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](CO)c3cc(F)ccc3F)C2=O)cc1 ZINC001460946493 1061160242 /nfs/dbraw/zinc/16/02/42/1061160242.db2.gz HLXUTMFACZUHTR-MOPGFXCFSA-N 1 2 371.387 2.655 20 30 FFEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H]1C(C)(C)C ZINC001475652841 1061183161 /nfs/dbraw/zinc/18/31/61/1061183161.db2.gz AJEBLPGLZWXWPS-QGZVFWFLSA-N 1 2 363.527 2.839 20 30 FFEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H]1C(C)(C)C ZINC001475652841 1061183168 /nfs/dbraw/zinc/18/31/68/1061183168.db2.gz AJEBLPGLZWXWPS-QGZVFWFLSA-N 1 2 363.527 2.839 20 30 FFEDLO CC(C)(C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNc1cccc[nH+]1 ZINC001359506007 1061287195 /nfs/dbraw/zinc/28/71/95/1061287195.db2.gz WVWLMWBYKLETBL-LJQANCHMSA-N 1 2 371.464 2.915 20 30 FFEDLO C=CCCc1ccc(S(=O)(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001462775901 1061772553 /nfs/dbraw/zinc/77/25/53/1061772553.db2.gz IJUQMHRUWNXAMX-IAGOWNOFSA-N 1 2 366.527 2.583 20 30 FFEDLO COCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)C1CC(C)(C)C1 ZINC001523616761 1062545644 /nfs/dbraw/zinc/54/56/44/1062545644.db2.gz GVEINNKIQVJQQN-UHFFFAOYSA-N 1 2 374.533 2.642 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(CCOC)CC2)[C@H]1CC ZINC001479635629 1062669351 /nfs/dbraw/zinc/66/93/51/1062669351.db2.gz KSFHBTSNMRQRKR-UONOGXRCSA-N 1 2 359.308 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(CCOC)CC2)[C@H]1CC ZINC001479635629 1062669359 /nfs/dbraw/zinc/66/93/59/1062669359.db2.gz KSFHBTSNMRQRKR-UONOGXRCSA-N 1 2 359.308 2.681 20 30 FFEDLO COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1Cl ZINC001524045253 1062705685 /nfs/dbraw/zinc/70/56/85/1062705685.db2.gz NIZPCHIKCZKKSV-UKRRQHHQSA-N 1 2 363.845 2.869 20 30 FFEDLO COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CCC[N@H+]2C(C)C)cc1Cl ZINC001524045253 1062705703 /nfs/dbraw/zinc/70/57/03/1062705703.db2.gz NIZPCHIKCZKKSV-UKRRQHHQSA-N 1 2 363.845 2.869 20 30 FFEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C(N)=O)cc2-n2cc[nH+]c2)c1 ZINC001436365505 1062707154 /nfs/dbraw/zinc/70/71/54/1062707154.db2.gz DLSLQVOWGAQVHY-DLBZAZTESA-N 1 2 371.400 2.585 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2ncc(C)s2)[C@@H]1C)OCC ZINC001479708094 1062857695 /nfs/dbraw/zinc/85/76/95/1062857695.db2.gz YBPQGOYDBNSAHU-OWCLPIDISA-N 1 2 351.516 2.902 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)s2)[C@@H]1C)OCC ZINC001479708094 1062857718 /nfs/dbraw/zinc/85/77/18/1062857718.db2.gz YBPQGOYDBNSAHU-OWCLPIDISA-N 1 2 351.516 2.902 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(O)cc2)[C@@H]1C ZINC001479720212 1062918108 /nfs/dbraw/zinc/91/81/08/1062918108.db2.gz MSIXOAZMJULRNW-PBHICJAKSA-N 1 2 359.470 2.512 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(O)cc2)[C@@H]1C ZINC001479720212 1062918132 /nfs/dbraw/zinc/91/81/32/1062918132.db2.gz MSIXOAZMJULRNW-PBHICJAKSA-N 1 2 359.470 2.512 20 30 FFEDLO Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1C#N ZINC001439166712 1063104320 /nfs/dbraw/zinc/10/43/20/1063104320.db2.gz FUUCZYVJTYBYHK-UHFFFAOYSA-N 1 2 361.361 2.891 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc(Cc3[nH+]ccn3C)n2C[C@@H]2CCCO2)C1 ZINC001525116786 1063155725 /nfs/dbraw/zinc/15/57/25/1063155725.db2.gz QTYZAQGFMBJUEN-SJORKVTESA-N 1 2 370.501 2.574 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H](CN(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCC1 ZINC001497930468 1063779536 /nfs/dbraw/zinc/77/95/36/1063779536.db2.gz HXJGVBYKCDZMGX-BRWVUGGUSA-N 1 2 370.497 2.567 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H](CN(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCC1 ZINC001497930468 1063779549 /nfs/dbraw/zinc/77/95/49/1063779549.db2.gz HXJGVBYKCDZMGX-BRWVUGGUSA-N 1 2 370.497 2.567 20 30 FFEDLO N#Cc1cc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)ccn1 ZINC001467727104 1063832172 /nfs/dbraw/zinc/83/21/72/1063832172.db2.gz WCFCXCFJIANWTL-SFHVURJKSA-N 1 2 354.841 2.887 20 30 FFEDLO N#Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)ccn1 ZINC001467727104 1063832187 /nfs/dbraw/zinc/83/21/87/1063832187.db2.gz WCFCXCFJIANWTL-SFHVURJKSA-N 1 2 354.841 2.887 20 30 FFEDLO C=CCC1(NC(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)CCCC1 ZINC001471104306 1064561313 /nfs/dbraw/zinc/56/13/13/1064561313.db2.gz XVMYNQBDMQVKAL-UHFFFAOYSA-N 1 2 365.518 2.981 20 30 FFEDLO C=CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H]([NH2+]CC(F)F)C1 ZINC001574916231 1078092976 /nfs/dbraw/zinc/09/29/76/1078092976.db2.gz VCQSVACOIFWAPB-LSDHHAIUSA-N 1 2 369.460 2.572 20 30 FFEDLO C=C(C)CC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)c2cncc(C)c2)CC1 ZINC001575050089 1078101107 /nfs/dbraw/zinc/10/11/07/1078101107.db2.gz WRBGLVLEOCPTSM-UHFFFAOYSA-N 1 2 368.485 2.581 20 30 FFEDLO CC(C)(CC#N)CS(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC001575297424 1078126853 /nfs/dbraw/zinc/12/68/53/1078126853.db2.gz CPVBRGBPJXURKK-OAHLLOKOSA-N 1 2 355.891 2.556 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001582350809 1079042442 /nfs/dbraw/zinc/04/24/42/1079042442.db2.gz GIVNVTCBKDBVRM-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO C#CCCCCCC(=O)N1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001582350809 1079042444 /nfs/dbraw/zinc/04/24/44/1079042444.db2.gz GIVNVTCBKDBVRM-RCCFBDPRSA-N 1 2 370.497 2.546 20 30 FFEDLO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001557832064 1075897067 /nfs/dbraw/zinc/89/70/67/1075897067.db2.gz LFEWKUPDWBMBDE-SFHVURJKSA-N 1 2 373.416 2.860 20 30 FFEDLO N#Cc1ccncc1C(=O)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001558835838 1076085793 /nfs/dbraw/zinc/08/57/93/1076085793.db2.gz HAHLVRPOZXJMNQ-UHFFFAOYSA-N 1 2 365.824 2.824 20 30 FFEDLO CC[C@H](C[NH+]1CCOCC1)Nc1nccc(Oc2cccc(C#N)c2)n1 ZINC001559283460 1076145564 /nfs/dbraw/zinc/14/55/64/1076145564.db2.gz KAYSQTWUFRHZLN-MRXNPFEDSA-N 1 2 353.426 2.663 20 30 FFEDLO CCOCCOC1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC001559485281 1076166418 /nfs/dbraw/zinc/16/64/18/1076166418.db2.gz BGEBXGKDPWDPSW-CQSZACIVSA-N 1 2 363.458 2.613 20 30 FFEDLO CC1(C)C[C@@H](O)C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC001560073867 1076221634 /nfs/dbraw/zinc/22/16/34/1076221634.db2.gz GDISGUCJLPLDAF-CYBMUJFWSA-N 1 2 361.511 2.920 20 30 FFEDLO CC1(C)C[C@@H](O)C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC001560073867 1076221637 /nfs/dbraw/zinc/22/16/37/1076221637.db2.gz GDISGUCJLPLDAF-CYBMUJFWSA-N 1 2 361.511 2.920 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cnsn1)OCC ZINC001565966727 1076817191 /nfs/dbraw/zinc/81/71/91/1076817191.db2.gz VAVWGQMUGPBUPO-HYVNUMGLSA-N 1 2 366.531 2.626 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C#N)CC[N@@H+]1Cc1nnc(-c2ccccc2)s1 ZINC001566009739 1076844005 /nfs/dbraw/zinc/84/40/05/1076844005.db2.gz SBVAYOCQSAHPPJ-CWRNSKLLSA-N 1 2 369.494 2.834 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C#N)CC[N@H+]1Cc1nnc(-c2ccccc2)s1 ZINC001566009739 1076844009 /nfs/dbraw/zinc/84/40/09/1076844009.db2.gz SBVAYOCQSAHPPJ-CWRNSKLLSA-N 1 2 369.494 2.834 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)CCc2cccnc2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001566095514 1076900495 /nfs/dbraw/zinc/90/04/95/1076900495.db2.gz LDPPMOUANSAOSS-QRWLVFNGSA-N 1 2 366.440 2.804 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)CCc2cccnc2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001566095514 1076900498 /nfs/dbraw/zinc/90/04/98/1076900498.db2.gz LDPPMOUANSAOSS-QRWLVFNGSA-N 1 2 366.440 2.804 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1cc(F)ccc1Cl ZINC001568496556 1077097948 /nfs/dbraw/zinc/09/79/48/1077097948.db2.gz YPQXQJHYGUXJDW-WBVHZDCISA-N 1 2 354.853 2.960 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1cc(F)ccc1Cl ZINC001568496556 1077097954 /nfs/dbraw/zinc/09/79/54/1077097954.db2.gz YPQXQJHYGUXJDW-WBVHZDCISA-N 1 2 354.853 2.960 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001573090051 1077529478 /nfs/dbraw/zinc/52/94/78/1077529478.db2.gz GZKVUAYZVZXLBX-HLIPFELVSA-N 1 2 360.502 2.809 20 30 FFEDLO C=C1CC(C)(C(=O)NC[C@H]2CC[C@@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001573197129 1077586312 /nfs/dbraw/zinc/58/63/12/1077586312.db2.gz MIPXQEPVSPIIRH-IXDOHACOSA-N 1 2 358.486 2.592 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001573231859 1077615066 /nfs/dbraw/zinc/61/50/66/1077615066.db2.gz AJSBCTKTOLHESE-NUJGCVRESA-N 1 2 360.502 2.688 20 30 FFEDLO C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001573231859 1077615069 /nfs/dbraw/zinc/61/50/69/1077615069.db2.gz AJSBCTKTOLHESE-NUJGCVRESA-N 1 2 360.502 2.688 20 30 FFEDLO C=CCCCC(=O)N[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1CC ZINC001573300221 1077664108 /nfs/dbraw/zinc/66/41/08/1077664108.db2.gz XHJLVBAMOJNKGO-JKSUJKDBSA-N 1 2 354.454 2.800 20 30 FFEDLO N#Cc1cccc(NC2CN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C2)c1 ZINC001586074106 1079541468 /nfs/dbraw/zinc/54/14/68/1079541468.db2.gz GPHVDOUVYLKGDE-UHFFFAOYSA-N 1 2 357.417 2.740 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2F)n1Cc1c[nH+]ccc1OC ZINC001587609278 1079826484 /nfs/dbraw/zinc/82/64/84/1079826484.db2.gz NEHOCCXZXOCEPQ-CQSZACIVSA-N 1 2 365.412 2.994 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCCSC2)CC1 ZINC001588811437 1080205587 /nfs/dbraw/zinc/20/55/87/1080205587.db2.gz JDDNCQCVTGAPBM-KRWDZBQOSA-N 1 2 373.570 2.834 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2C[C@H]2C)CC1 ZINC001588848761 1080217485 /nfs/dbraw/zinc/21/74/85/1080217485.db2.gz NDSXZKJVHBIRQS-UYAOXDASSA-N 1 2 363.509 2.589 20 30 FFEDLO Cn1nccc1C1=CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000285692569 257000022 /nfs/dbraw/zinc/00/00/22/257000022.db2.gz RURORQDRCMZXPL-UHFFFAOYSA-N 1 2 355.829 2.673 20 30 FFEDLO Cn1nccc1C1=CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000285692569 257000023 /nfs/dbraw/zinc/00/00/23/257000023.db2.gz RURORQDRCMZXPL-UHFFFAOYSA-N 1 2 355.829 2.673 20 30 FFEDLO CC(C)Cn1ncnc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000272291512 252001516 /nfs/dbraw/zinc/00/15/16/252001516.db2.gz HDBMPCVIQXAZRX-UHFFFAOYSA-N 1 2 366.469 2.656 20 30 FFEDLO CC(C)(CNc1ccc(Br)cc1C#N)[NH+]1CCS(=O)CC1 ZINC000272835147 252142724 /nfs/dbraw/zinc/14/27/24/252142724.db2.gz LUJWDDXCVFJDRQ-UHFFFAOYSA-N 1 2 370.316 2.576 20 30 FFEDLO Cc1sc(NC(=O)C[NH2+][C@@H](CO)c2c(F)cccc2F)c(C#N)c1C ZINC000273106688 252219183 /nfs/dbraw/zinc/21/91/83/252219183.db2.gz NAOZZQQFZRQBSG-AWEZNQCLSA-N 1 2 365.405 2.777 20 30 FFEDLO Cc1oc(NC(=O)CN(C)Cc2[nH+]ccn2CC(F)(F)F)c(C#N)c1C ZINC000057845258 221095698 /nfs/dbraw/zinc/09/56/98/221095698.db2.gz GZMXKTAPTCSACX-UHFFFAOYSA-N 1 2 369.347 2.597 20 30 FFEDLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)cc1 ZINC000289373974 257277444 /nfs/dbraw/zinc/27/74/44/257277444.db2.gz BDLOUCMVAPOFSF-UHFFFAOYSA-N 1 2 365.433 2.533 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1Cl ZINC000290065293 257313872 /nfs/dbraw/zinc/31/38/72/257313872.db2.gz XYKAIJGKNIAPCQ-AWEZNQCLSA-N 1 2 364.236 2.947 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1Cl ZINC000290065293 257313873 /nfs/dbraw/zinc/31/38/73/257313873.db2.gz XYKAIJGKNIAPCQ-AWEZNQCLSA-N 1 2 364.236 2.947 20 30 FFEDLO Cc1nsc(N2CCN(Cc3c[nH+]c4ccc(C)cn34)CC2)c1C#N ZINC000291571706 257410622 /nfs/dbraw/zinc/41/06/22/257410622.db2.gz NYIKVLPWBJDOHQ-UHFFFAOYSA-N 1 2 352.467 2.602 20 30 FFEDLO CCc1noc([C@@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000299686393 258016846 /nfs/dbraw/zinc/01/68/46/258016846.db2.gz ZJDLMBHERPJBKZ-CYBMUJFWSA-N 1 2 353.426 2.915 20 30 FFEDLO CCc1noc([C@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000299686394 258017114 /nfs/dbraw/zinc/01/71/14/258017114.db2.gz ZJDLMBHERPJBKZ-ZDUSSCGKSA-N 1 2 353.426 2.915 20 30 FFEDLO CCN1CC[NH+]([C@H](C)CNc2c(C#N)cnc3c(C)cc(F)cc32)CC1 ZINC000301561681 258055823 /nfs/dbraw/zinc/05/58/23/258055823.db2.gz YDEKRAGRGTXILU-OAHLLOKOSA-N 1 2 355.461 2.992 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c1C#N ZINC000331621175 258193579 /nfs/dbraw/zinc/19/35/79/258193579.db2.gz ORVGFPXDJOWFDJ-SCLBCKFNSA-N 1 2 358.486 2.733 20 30 FFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c1C#N ZINC000331621175 258193580 /nfs/dbraw/zinc/19/35/80/258193580.db2.gz ORVGFPXDJOWFDJ-SCLBCKFNSA-N 1 2 358.486 2.733 20 30 FFEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(Cc3cc(C#N)ccc3F)CC2)C1 ZINC000331940113 258207007 /nfs/dbraw/zinc/20/70/07/258207007.db2.gz GKFSTXPQTVODCU-VQIMIIECSA-N 1 2 372.488 2.510 20 30 FFEDLO CC[C@@H](OC1CCCC1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000331990486 258209343 /nfs/dbraw/zinc/20/93/43/258209343.db2.gz WSAARLWLGMDWIA-HXUWFJFHSA-N 1 2 355.482 2.940 20 30 FFEDLO N#Cc1cc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1Cl ZINC000332467750 258231489 /nfs/dbraw/zinc/23/14/89/258231489.db2.gz RHMFVWVCRJZVMV-UHFFFAOYSA-N 1 2 350.831 2.503 20 30 FFEDLO Cc1cc(NC(=O)NCc2cn3c([nH+]2)CCCC3)c(C#N)cc1N(C)C ZINC000331861910 258203422 /nfs/dbraw/zinc/20/34/22/258203422.db2.gz BMCCFTLWCUQSGI-UHFFFAOYSA-N 1 2 352.442 2.787 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000370959111 512153400 /nfs/dbraw/zinc/15/34/00/512153400.db2.gz KEFTVBUTEPLKFL-MRXNPFEDSA-N 1 2 367.453 2.806 20 30 FFEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000064795708 506226518 /nfs/dbraw/zinc/22/65/18/506226518.db2.gz TVLPSWNHLMVPII-OLZOCXBDSA-N 1 2 352.276 2.887 20 30 FFEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000064795708 506226524 /nfs/dbraw/zinc/22/65/24/506226524.db2.gz TVLPSWNHLMVPII-OLZOCXBDSA-N 1 2 352.276 2.887 20 30 FFEDLO N#Cc1ccc(SCC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000368970030 512161921 /nfs/dbraw/zinc/16/19/21/512161921.db2.gz QRDUKLWIVOYUGG-UHFFFAOYSA-N 1 2 352.463 2.831 20 30 FFEDLO C=CCc1cc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc(OC)c1OC ZINC000371044068 512191505 /nfs/dbraw/zinc/19/15/05/512191505.db2.gz PRIKIKWNUVJVQO-OAHLLOKOSA-N 1 2 355.438 2.796 20 30 FFEDLO CC[N@@H+](CC(=O)NCCOc1ccc(C(F)(F)F)cc1)C[C@H](C)C#N ZINC000066424809 506512537 /nfs/dbraw/zinc/51/25/37/506512537.db2.gz DSEZFCARVFBBDE-CYBMUJFWSA-N 1 2 357.376 2.682 20 30 FFEDLO CC[N@H+](CC(=O)NCCOc1ccc(C(F)(F)F)cc1)C[C@H](C)C#N ZINC000066424809 506512540 /nfs/dbraw/zinc/51/25/40/506512540.db2.gz DSEZFCARVFBBDE-CYBMUJFWSA-N 1 2 357.376 2.682 20 30 FFEDLO C=CC[N@@H+](Cc1cc(=O)oc2cc(CC)ccc12)[C@H]1CCS(=O)(=O)C1 ZINC000066560412 506553157 /nfs/dbraw/zinc/55/31/57/506553157.db2.gz UXKVNXLSZKCKPB-INIZCTEOSA-N 1 2 361.463 2.531 20 30 FFEDLO C=CC[N@H+](Cc1cc(=O)oc2cc(CC)ccc12)[C@H]1CCS(=O)(=O)C1 ZINC000066560412 506553162 /nfs/dbraw/zinc/55/31/62/506553162.db2.gz UXKVNXLSZKCKPB-INIZCTEOSA-N 1 2 361.463 2.531 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000066606913 506573009 /nfs/dbraw/zinc/57/30/09/506573009.db2.gz GXPSWXHXOVCXEI-UWJYYQICSA-N 1 2 374.504 2.776 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000066606913 506573014 /nfs/dbraw/zinc/57/30/14/506573014.db2.gz GXPSWXHXOVCXEI-UWJYYQICSA-N 1 2 374.504 2.776 20 30 FFEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@H]1COc2ccccc2O1 ZINC000042365246 506623061 /nfs/dbraw/zinc/62/30/61/506623061.db2.gz UDPRKVLLRHEQDS-SFHVURJKSA-N 1 2 365.433 2.705 20 30 FFEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@H]1COc2ccccc2O1 ZINC000042365246 506623065 /nfs/dbraw/zinc/62/30/65/506623065.db2.gz UDPRKVLLRHEQDS-SFHVURJKSA-N 1 2 365.433 2.705 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000066836515 506659545 /nfs/dbraw/zinc/65/95/45/506659545.db2.gz ITEZDTRVCAMMPW-CYBMUJFWSA-N 1 2 353.413 2.648 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000066836515 506659554 /nfs/dbraw/zinc/65/95/54/506659554.db2.gz ITEZDTRVCAMMPW-CYBMUJFWSA-N 1 2 353.413 2.648 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cn4cc(Cl)ccc4n3)CC2)c1 ZINC000044714745 506879207 /nfs/dbraw/zinc/87/92/07/506879207.db2.gz WWBKXEXBBLKADU-UHFFFAOYSA-N 1 2 352.829 2.577 20 30 FFEDLO N#Cc1ccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000045029154 506908449 /nfs/dbraw/zinc/90/84/49/506908449.db2.gz FPLRTBARJCHKHT-IBGZPJMESA-N 1 2 350.422 2.581 20 30 FFEDLO N#Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000045029154 506908463 /nfs/dbraw/zinc/90/84/63/506908463.db2.gz FPLRTBARJCHKHT-IBGZPJMESA-N 1 2 350.422 2.581 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(C#N)cc3)c[nH+]2)CCO1 ZINC000045956077 507051455 /nfs/dbraw/zinc/05/14/55/507051455.db2.gz AEOXZYUCNNSGNB-AWEZNQCLSA-N 1 2 351.410 2.500 20 30 FFEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000056802169 507097350 /nfs/dbraw/zinc/09/73/50/507097350.db2.gz UDHCVUZBVJWDGW-UHFFFAOYSA-N 1 2 365.437 2.702 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1C#N ZINC000068084905 507104823 /nfs/dbraw/zinc/10/48/23/507104823.db2.gz NJSOKSZLQSNJDV-CYBMUJFWSA-N 1 2 362.499 2.765 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1C#N ZINC000068084905 507104827 /nfs/dbraw/zinc/10/48/27/507104827.db2.gz NJSOKSZLQSNJDV-CYBMUJFWSA-N 1 2 362.499 2.765 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1C#N ZINC000068085105 507104934 /nfs/dbraw/zinc/10/49/34/507104934.db2.gz WBTCKPZPLGWNRX-ZDUSSCGKSA-N 1 2 362.499 2.623 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1C#N ZINC000068085105 507104937 /nfs/dbraw/zinc/10/49/37/507104937.db2.gz WBTCKPZPLGWNRX-ZDUSSCGKSA-N 1 2 362.499 2.623 20 30 FFEDLO COc1ccc(C)cc1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000017843634 507130572 /nfs/dbraw/zinc/13/05/72/507130572.db2.gz UOPLCUKCPXOIDM-UHFFFAOYSA-N 1 2 363.461 2.762 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)c1 ZINC000367076498 512326388 /nfs/dbraw/zinc/32/63/88/512326388.db2.gz OQJREBNVYDEVRP-IBGZPJMESA-N 1 2 353.378 2.919 20 30 FFEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)c1 ZINC000367076498 512326390 /nfs/dbraw/zinc/32/63/90/512326390.db2.gz OQJREBNVYDEVRP-IBGZPJMESA-N 1 2 353.378 2.919 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068475741 507244270 /nfs/dbraw/zinc/24/42/70/507244270.db2.gz CXTCVLFOAHWJPI-HOTGVXAUSA-N 1 2 359.470 2.830 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068475741 507244274 /nfs/dbraw/zinc/24/42/74/507244274.db2.gz CXTCVLFOAHWJPI-HOTGVXAUSA-N 1 2 359.470 2.830 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023357638 507346356 /nfs/dbraw/zinc/34/63/56/507346356.db2.gz VBFPEYYTMRYEJF-MRXNPFEDSA-N 1 2 366.440 2.842 20 30 FFEDLO Cc1cccc2[nH+]c(CNS(=O)(=O)c3ccc(C#N)c(Cl)c3)cn21 ZINC000068944123 507366272 /nfs/dbraw/zinc/36/62/72/507366272.db2.gz HMXRWIUWTIWFOA-UHFFFAOYSA-N 1 2 360.826 2.646 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000058773006 507463245 /nfs/dbraw/zinc/46/32/45/507463245.db2.gz AESVSRKHOMPQHX-KRWDZBQOSA-N 1 2 373.460 2.575 20 30 FFEDLO N#Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000025407737 507498640 /nfs/dbraw/zinc/49/86/40/507498640.db2.gz LLKXZSAKNASRED-UHFFFAOYSA-N 1 2 368.868 2.968 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)Nc2cccc(C)c2C)cc1OC ZINC000060552458 507561156 /nfs/dbraw/zinc/56/11/56/507561156.db2.gz XXHGNRIJIRZRMX-UHFFFAOYSA-N 1 2 357.410 2.596 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCC(=O)Nc2c(C)cc(C)cc2C)cc1OC ZINC000060552721 507561651 /nfs/dbraw/zinc/56/16/51/507561651.db2.gz GHTQUHUJDBOLKM-UHFFFAOYSA-N 1 2 371.437 2.905 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc(Cl)c1Cl ZINC000060633791 507568902 /nfs/dbraw/zinc/56/89/02/507568902.db2.gz ONTFORFDTHEUTK-UHFFFAOYSA-N 1 2 356.253 2.681 20 30 FFEDLO CCCCOc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000060634009 507570892 /nfs/dbraw/zinc/57/08/92/507570892.db2.gz VIFLCXCWKRRVBC-UHFFFAOYSA-N 1 2 359.470 2.554 20 30 FFEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000063401857 507727060 /nfs/dbraw/zinc/72/70/60/507727060.db2.gz MRGJEPBIGGFBEE-UHFFFAOYSA-N 1 2 369.425 2.954 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000051852221 507788305 /nfs/dbraw/zinc/78/83/05/507788305.db2.gz PTICPXJYBAGPRA-UHFFFAOYSA-N 1 2 370.403 2.987 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@H+](CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000051852221 507788306 /nfs/dbraw/zinc/78/83/06/507788306.db2.gz PTICPXJYBAGPRA-UHFFFAOYSA-N 1 2 370.403 2.987 20 30 FFEDLO C[C@@H](NC(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1)c1ccccc1 ZINC000029856322 507792962 /nfs/dbraw/zinc/79/29/62/507792962.db2.gz KRENTBFOGIMLPD-MRXNPFEDSA-N 1 2 366.440 2.697 20 30 FFEDLO COc1cccc([C@@H](NC(=O)c2sccc2C#N)c2[nH+]ccn2C)c1 ZINC000052029435 507794502 /nfs/dbraw/zinc/79/45/02/507794502.db2.gz IRFGEWCWCVHXKX-OAHLLOKOSA-N 1 2 352.419 2.881 20 30 FFEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000106940336 507829997 /nfs/dbraw/zinc/82/99/97/507829997.db2.gz DCQBQFVMBRZUMQ-IBGZPJMESA-N 1 2 369.513 2.731 20 30 FFEDLO C=CCCN(C)C(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000410766678 512363723 /nfs/dbraw/zinc/36/37/23/512363723.db2.gz HUZBIGYESJEWJL-HNNXBMFYSA-N 1 2 363.889 2.580 20 30 FFEDLO C[C@@H](C(=O)NCc1cccs1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000078269240 507853081 /nfs/dbraw/zinc/85/30/81/507853081.db2.gz WSDUEOYFKMJXGO-QFBILLFUSA-N 1 2 368.506 2.635 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)Cc1cccc(OCC#N)c1 ZINC000089658832 507853893 /nfs/dbraw/zinc/85/38/93/507853893.db2.gz GLROOUZKUOUFIP-UHFFFAOYSA-N 1 2 362.433 2.996 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(Cl)cc1F ZINC000078453486 507872297 /nfs/dbraw/zinc/87/22/97/507872297.db2.gz KYXPJMHSRJZPSR-UHFFFAOYSA-N 1 2 354.813 2.559 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+]([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000078616215 507889558 /nfs/dbraw/zinc/88/95/58/507889558.db2.gz AAVAQLYOWVDQKQ-YADHBBJMSA-N 1 2 374.488 2.889 20 30 FFEDLO Cc1cccc(C(C)C)c1NC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000078720595 507900739 /nfs/dbraw/zinc/90/07/39/507900739.db2.gz WPYIGPCGHXTPKK-UHFFFAOYSA-N 1 2 372.513 2.605 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000108528779 507901485 /nfs/dbraw/zinc/90/14/85/507901485.db2.gz BDHPWKYRGNXQHA-GJZGRUSLSA-N 1 2 362.499 2.781 20 30 FFEDLO CCOc1ccc(C2=CC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1 ZINC000091810808 508014894 /nfs/dbraw/zinc/01/48/94/508014894.db2.gz ZAUJTUXLQDTURR-NRFANRHFSA-N 1 2 353.466 2.983 20 30 FFEDLO CCOc1ccc(C2=CC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1 ZINC000091810808 508014895 /nfs/dbraw/zinc/01/48/95/508014895.db2.gz ZAUJTUXLQDTURR-NRFANRHFSA-N 1 2 353.466 2.983 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1C#N ZINC000080157714 508045406 /nfs/dbraw/zinc/04/54/06/508045406.db2.gz FFYDFQBTTWYTHX-INIZCTEOSA-N 1 2 368.462 2.510 20 30 FFEDLO CSc1[nH]c(=O)c(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1C#N ZINC000080157714 508045408 /nfs/dbraw/zinc/04/54/08/508045408.db2.gz FFYDFQBTTWYTHX-INIZCTEOSA-N 1 2 368.462 2.510 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000081069148 508132267 /nfs/dbraw/zinc/13/22/67/508132267.db2.gz NHOBZQKXUFHIOW-WMLDXEAASA-N 1 2 369.387 2.629 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000081069148 508132272 /nfs/dbraw/zinc/13/22/72/508132272.db2.gz NHOBZQKXUFHIOW-WMLDXEAASA-N 1 2 369.387 2.629 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC000093284426 508134944 /nfs/dbraw/zinc/13/49/44/508134944.db2.gz MGFMLQWXDGWSQY-IRXDYDNUSA-N 1 2 358.438 2.684 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC000093284426 508134945 /nfs/dbraw/zinc/13/49/45/508134945.db2.gz MGFMLQWXDGWSQY-IRXDYDNUSA-N 1 2 358.438 2.684 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@H](C)[C@H](O)C2)c1C#N ZINC000093342979 508140592 /nfs/dbraw/zinc/14/05/92/508140592.db2.gz GGXDWYQNZAVWFV-IFXJQAMLSA-N 1 2 366.465 2.607 20 30 FFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](O)C2)c1C#N ZINC000093342979 508140597 /nfs/dbraw/zinc/14/05/97/508140597.db2.gz GGXDWYQNZAVWFV-IFXJQAMLSA-N 1 2 366.465 2.607 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnc(-c2ccccc2)s1 ZINC000081158280 508142412 /nfs/dbraw/zinc/14/24/12/508142412.db2.gz SPSNIBSWBSPSIO-UHFFFAOYSA-N 1 2 356.495 2.858 20 30 FFEDLO COc1ccc(C[N@@H+]2CCC[C@H]2c2nncn2C)cc1OCCCC#N ZINC000093810358 508156142 /nfs/dbraw/zinc/15/61/42/508156142.db2.gz QEBGNQKNKUJXQH-INIZCTEOSA-N 1 2 355.442 2.843 20 30 FFEDLO COc1ccc(C[N@H+]2CCC[C@H]2c2nncn2C)cc1OCCCC#N ZINC000093810358 508156147 /nfs/dbraw/zinc/15/61/47/508156147.db2.gz QEBGNQKNKUJXQH-INIZCTEOSA-N 1 2 355.442 2.843 20 30 FFEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000076455191 508209193 /nfs/dbraw/zinc/20/91/93/508209193.db2.gz HFTRNZZBXZDIBE-UHFFFAOYSA-N 1 2 368.403 2.590 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083170099 508238319 /nfs/dbraw/zinc/23/83/19/508238319.db2.gz QIVJIHPEJSASCR-UHFFFAOYSA-N 1 2 363.377 2.930 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000083243495 508242267 /nfs/dbraw/zinc/24/22/67/508242267.db2.gz FTPZZAGZRPRDJX-VQTJNVASSA-N 1 2 372.465 2.822 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(c3nc[nH]n3)CC2)cc1C ZINC000083424399 508244961 /nfs/dbraw/zinc/24/49/61/508244961.db2.gz CDLOZWAMFFNVQO-UHFFFAOYSA-N 1 2 366.469 2.548 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC000101554529 508245523 /nfs/dbraw/zinc/24/55/23/508245523.db2.gz QTOAGVBJGSEYMR-HSZRJFAPSA-N 1 2 374.488 2.948 20 30 FFEDLO C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101729715 508254998 /nfs/dbraw/zinc/25/49/98/508254998.db2.gz BSFKJGXVGCQEAP-MRXNPFEDSA-N 1 2 366.440 2.871 20 30 FFEDLO CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1cnn(C)c1 ZINC000101730356 508255379 /nfs/dbraw/zinc/25/53/79/508255379.db2.gz HLRQTXSPKKSSBG-UHFFFAOYSA-N 1 2 353.470 2.806 20 30 FFEDLO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1cnn(C)c1 ZINC000101730356 508255381 /nfs/dbraw/zinc/25/53/81/508255381.db2.gz HLRQTXSPKKSSBG-UHFFFAOYSA-N 1 2 353.470 2.806 20 30 FFEDLO CCOc1cc2c(cc1OCC)C[N@H+](CC(=O)N(CC)CCC#N)CC2 ZINC000103141604 508297991 /nfs/dbraw/zinc/29/79/91/508297991.db2.gz PTDHIOOAFSYPBH-UHFFFAOYSA-N 1 2 359.470 2.604 20 30 FFEDLO CCOc1cc2c(cc1OCC)C[N@@H+](CC(=O)N(CC)CCC#N)CC2 ZINC000103141604 508297995 /nfs/dbraw/zinc/29/79/95/508297995.db2.gz PTDHIOOAFSYPBH-UHFFFAOYSA-N 1 2 359.470 2.604 20 30 FFEDLO N#Cc1cccc(NC(=O)CN2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000104795447 508347357 /nfs/dbraw/zinc/34/73/57/508347357.db2.gz HQLHMKCUBZBPGD-UHFFFAOYSA-N 1 2 368.868 2.968 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000088524696 508374444 /nfs/dbraw/zinc/37/44/44/508374444.db2.gz KDUPMGKVPXEKCU-SFTDATJTSA-N 1 2 360.461 2.674 20 30 FFEDLO Cc1ccc(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c(C)[nH+]1 ZINC000152329037 508424699 /nfs/dbraw/zinc/42/46/99/508424699.db2.gz BVGCVSDBLKKHMM-UHFFFAOYSA-N 1 2 350.426 2.756 20 30 FFEDLO OCC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1cccnc1 ZINC000157064861 508517834 /nfs/dbraw/zinc/51/78/34/508517834.db2.gz FKGXGPUAFGACDY-UHFFFAOYSA-N 1 2 350.340 2.826 20 30 FFEDLO OCC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1cccnc1 ZINC000157064861 508517838 /nfs/dbraw/zinc/51/78/38/508517838.db2.gz FKGXGPUAFGACDY-UHFFFAOYSA-N 1 2 350.340 2.826 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000135676832 508639617 /nfs/dbraw/zinc/63/96/17/508639617.db2.gz DKCHRLHWSRJFCZ-KRWDZBQOSA-N 1 2 372.296 2.575 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2cccc(Br)c2C1 ZINC000118411071 508649078 /nfs/dbraw/zinc/64/90/78/508649078.db2.gz NHDFEXBQZKAKEW-UHFFFAOYSA-N 1 2 350.260 2.569 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2cccc(Br)c2C1 ZINC000118411071 508649083 /nfs/dbraw/zinc/64/90/83/508649083.db2.gz NHDFEXBQZKAKEW-UHFFFAOYSA-N 1 2 350.260 2.569 20 30 FFEDLO C=CCNc1ncc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000136143886 508673477 /nfs/dbraw/zinc/67/34/77/508673477.db2.gz YLMOZWYCUUKWTD-UHFFFAOYSA-N 1 2 353.451 2.916 20 30 FFEDLO Cc1cc(CN(CCC#N)CC[NH+]2CCOCC2)c(OC(F)F)cc1C ZINC000154775700 508853839 /nfs/dbraw/zinc/85/38/39/508853839.db2.gz SRCNLGZATCZTSL-UHFFFAOYSA-N 1 2 367.440 2.953 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(OC(F)(F)F)c1 ZINC000154790807 508856498 /nfs/dbraw/zinc/85/64/98/508856498.db2.gz VSPXADDKYONVKD-UHFFFAOYSA-N 1 2 357.376 2.633 20 30 FFEDLO COCc1ccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000131287869 508910500 /nfs/dbraw/zinc/91/05/00/508910500.db2.gz RGZBRAXIWNMXLS-SFHVURJKSA-N 1 2 374.462 2.908 20 30 FFEDLO COCc1ccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000131287869 508910501 /nfs/dbraw/zinc/91/05/01/508910501.db2.gz RGZBRAXIWNMXLS-SFHVURJKSA-N 1 2 374.462 2.908 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1F ZINC000151182013 508973612 /nfs/dbraw/zinc/97/36/12/508973612.db2.gz GJYNHDCDFAZTPB-OAHLLOKOSA-N 1 2 373.453 2.592 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1F ZINC000151182013 508973614 /nfs/dbraw/zinc/97/36/14/508973614.db2.gz GJYNHDCDFAZTPB-OAHLLOKOSA-N 1 2 373.453 2.592 20 30 FFEDLO Cn1c2ccc(NS(=O)(=O)c3ccc(C#N)nc3)cc2[nH+]c1C(C)(C)C ZINC000131869856 508976686 /nfs/dbraw/zinc/97/66/86/508976686.db2.gz CZWHHSKYTZGBFZ-UHFFFAOYSA-N 1 2 369.450 2.938 20 30 FFEDLO C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cn(-c2ccccc2)nn1 ZINC000151257655 508988045 /nfs/dbraw/zinc/98/80/45/508988045.db2.gz USJAIOPXLAVNSA-HNAYVOBHSA-N 1 2 372.432 2.595 20 30 FFEDLO CC(C)[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1cccnc1 ZINC000125625347 509008835 /nfs/dbraw/zinc/00/88/35/509008835.db2.gz KSUMWMPNHLZTFT-UHFFFAOYSA-N 1 2 374.448 2.988 20 30 FFEDLO CC(C)[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1cccnc1 ZINC000125625347 509008837 /nfs/dbraw/zinc/00/88/37/509008837.db2.gz KSUMWMPNHLZTFT-UHFFFAOYSA-N 1 2 374.448 2.988 20 30 FFEDLO C=CCCS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000120512975 509010988 /nfs/dbraw/zinc/01/09/88/509010988.db2.gz NFPZYQWJIJLMAL-HNNXBMFYSA-N 1 2 360.882 2.939 20 30 FFEDLO C=CCCS(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000120512975 509010991 /nfs/dbraw/zinc/01/09/91/509010991.db2.gz NFPZYQWJIJLMAL-HNNXBMFYSA-N 1 2 360.882 2.939 20 30 FFEDLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC000125681552 509016194 /nfs/dbraw/zinc/01/61/94/509016194.db2.gz MFAGLFIMUZEVLS-CYBMUJFWSA-N 1 2 372.270 2.994 20 30 FFEDLO C=CCNC(=O)[C@H](C)Sc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000126586329 509098823 /nfs/dbraw/zinc/09/88/23/509098823.db2.gz KAUDGMLIYYTYRK-ZDUSSCGKSA-N 1 2 353.451 2.657 20 30 FFEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000156118583 509130294 /nfs/dbraw/zinc/13/02/94/509130294.db2.gz BWHHMEQLAUAVKB-UHFFFAOYSA-N 1 2 352.394 2.797 20 30 FFEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCc1c[nH+]cn1C ZINC000121504877 509177021 /nfs/dbraw/zinc/17/70/21/509177021.db2.gz HXLXYODZWCNXAP-UHFFFAOYSA-N 1 2 353.344 2.976 20 30 FFEDLO N#Cc1ccc(C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)cc1F ZINC000192042831 509314550 /nfs/dbraw/zinc/31/45/50/509314550.db2.gz MRLFCYXAODTELP-UHFFFAOYSA-N 1 2 364.424 2.937 20 30 FFEDLO N#Cc1ccc(C[N@@H+](CCO)Cc2cnn(Cc3ccccc3)c2)cc1F ZINC000192042831 509314557 /nfs/dbraw/zinc/31/45/57/509314557.db2.gz MRLFCYXAODTELP-UHFFFAOYSA-N 1 2 364.424 2.937 20 30 FFEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000248568609 509368913 /nfs/dbraw/zinc/36/89/13/509368913.db2.gz NWQXJAIBYXNULS-SWLSCSKDSA-N 1 2 364.858 2.680 20 30 FFEDLO C=C(Br)CN1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000164455176 509504334 /nfs/dbraw/zinc/50/43/34/509504334.db2.gz GHWBLSVUJBPAKX-UHFFFAOYSA-N 1 2 355.276 2.600 20 30 FFEDLO N#C[C@H](C(=O)C[N@@H+]1CCCc2ccccc2C1)c1nc2ccccc2c(=O)[nH]1 ZINC000264430834 509522447 /nfs/dbraw/zinc/52/24/47/509522447.db2.gz OCYIWEHHHKIGAE-GOSISDBHSA-N 1 2 372.428 2.960 20 30 FFEDLO N#C[C@H](C(=O)C[N@H+]1CCCc2ccccc2C1)c1nc2ccccc2c(=O)[nH]1 ZINC000264430834 509522453 /nfs/dbraw/zinc/52/24/53/509522453.db2.gz OCYIWEHHHKIGAE-GOSISDBHSA-N 1 2 372.428 2.960 20 30 FFEDLO N#Cc1cccc(NC(=O)C[S@@](=O)Cc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000176527968 509564962 /nfs/dbraw/zinc/56/49/62/509564962.db2.gz FLQKIJYXGBKFRZ-VWLOTQADSA-N 1 2 372.837 2.747 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000186201664 509576106 /nfs/dbraw/zinc/57/61/06/509576106.db2.gz QRSVNYUYZIUGID-UHFFFAOYSA-N 1 2 368.250 2.708 20 30 FFEDLO CN(CCC#N)C(=O)CC[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000186201664 509576111 /nfs/dbraw/zinc/57/61/11/509576111.db2.gz QRSVNYUYZIUGID-UHFFFAOYSA-N 1 2 368.250 2.708 20 30 FFEDLO C=CCc1cc(C[NH+]2CCN(Cc3cc(C)on3)CC2)cc(OC)c1O ZINC000179736702 509597056 /nfs/dbraw/zinc/59/70/56/509597056.db2.gz FASUFKUAYXYIEW-UHFFFAOYSA-N 1 2 357.454 2.744 20 30 FFEDLO C[S@@](=O)C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000183113811 509604280 /nfs/dbraw/zinc/60/42/80/509604280.db2.gz VOIAQQUMURLSIE-WGDIFIGCSA-N 1 2 366.446 2.818 20 30 FFEDLO Cn1cc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179918520 509673108 /nfs/dbraw/zinc/67/31/08/509673108.db2.gz CBAHGQUFPRDJDX-UHFFFAOYSA-N 1 2 365.481 2.649 20 30 FFEDLO CS(=O)(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC000176827328 509711912 /nfs/dbraw/zinc/71/19/12/509711912.db2.gz SZTDEWZCLMPODG-UHFFFAOYSA-N 1 2 359.426 2.627 20 30 FFEDLO CS(=O)(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC000176827328 509711918 /nfs/dbraw/zinc/71/19/18/509711918.db2.gz SZTDEWZCLMPODG-UHFFFAOYSA-N 1 2 359.426 2.627 20 30 FFEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)c1 ZINC000186496354 509740057 /nfs/dbraw/zinc/74/00/57/509740057.db2.gz RFCMTOUPEWNMGT-UHFFFAOYSA-N 1 2 371.387 2.759 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCCO[C@H](C)C2)c1C#N ZINC000170772001 509767266 /nfs/dbraw/zinc/76/72/66/509767266.db2.gz LKDIPCPQFSHYAS-CQSZACIVSA-N 1 2 370.453 2.667 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCCO[C@H](C)C2)c1C#N ZINC000170772001 509767270 /nfs/dbraw/zinc/76/72/70/509767270.db2.gz LKDIPCPQFSHYAS-CQSZACIVSA-N 1 2 370.453 2.667 20 30 FFEDLO C=CC[C@@H](CO)NC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000183408508 509770092 /nfs/dbraw/zinc/77/00/92/509770092.db2.gz QJMJDPHDUJNYPH-CVEARBPZSA-N 1 2 369.868 2.680 20 30 FFEDLO C=CC[C@@H](CO)NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000183408508 509770102 /nfs/dbraw/zinc/77/01/02/509770102.db2.gz QJMJDPHDUJNYPH-CVEARBPZSA-N 1 2 369.868 2.680 20 30 FFEDLO C=C(C)CN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000183418445 509776812 /nfs/dbraw/zinc/77/68/12/509776812.db2.gz QMSYKJXTZSSYBM-SJORKVTESA-N 1 2 351.878 2.929 20 30 FFEDLO C=C(C)CN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000183418445 509776818 /nfs/dbraw/zinc/77/68/18/509776818.db2.gz QMSYKJXTZSSYBM-SJORKVTESA-N 1 2 351.878 2.929 20 30 FFEDLO CO[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000170820245 509791210 /nfs/dbraw/zinc/79/12/10/509791210.db2.gz LYGUOEFZFPPRDV-MRXNPFEDSA-N 1 2 370.453 2.667 20 30 FFEDLO CO[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000170820245 509791218 /nfs/dbraw/zinc/79/12/18/509791218.db2.gz LYGUOEFZFPPRDV-MRXNPFEDSA-N 1 2 370.453 2.667 20 30 FFEDLO Cc1sc(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)c(C#N)c1C ZINC000176997031 509809397 /nfs/dbraw/zinc/80/93/97/509809397.db2.gz OLLCIAIQIKRCBS-UHFFFAOYSA-N 1 2 374.510 2.510 20 30 FFEDLO CC1(CO)CC[NH+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000186891920 509933373 /nfs/dbraw/zinc/93/33/73/509933373.db2.gz ZOGWPQXPWJIQDD-UHFFFAOYSA-N 1 2 361.511 2.922 20 30 FFEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000268453975 509939814 /nfs/dbraw/zinc/93/98/14/509939814.db2.gz JGBALCNKZVEYQE-FZMZJTMJSA-N 1 2 372.860 2.845 20 30 FFEDLO Cc1nnc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000268453975 509939822 /nfs/dbraw/zinc/93/98/22/509939822.db2.gz JGBALCNKZVEYQE-FZMZJTMJSA-N 1 2 372.860 2.845 20 30 FFEDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000268453975 509939828 /nfs/dbraw/zinc/93/98/28/509939828.db2.gz JGBALCNKZVEYQE-FZMZJTMJSA-N 1 2 372.860 2.845 20 30 FFEDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000268453975 509939837 /nfs/dbraw/zinc/93/98/37/509939837.db2.gz JGBALCNKZVEYQE-FZMZJTMJSA-N 1 2 372.860 2.845 20 30 FFEDLO Cc1nc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n[nH]1 ZINC000268453975 509939846 /nfs/dbraw/zinc/93/98/46/509939846.db2.gz JGBALCNKZVEYQE-FZMZJTMJSA-N 1 2 372.860 2.845 20 30 FFEDLO Cc1nc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n[nH]1 ZINC000268453975 509939853 /nfs/dbraw/zinc/93/98/53/509939853.db2.gz JGBALCNKZVEYQE-FZMZJTMJSA-N 1 2 372.860 2.845 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000245505518 509972611 /nfs/dbraw/zinc/97/26/11/509972611.db2.gz GBKWMGGCYVPPCJ-JTSKRJEESA-N 1 2 367.493 2.891 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000245505518 509972615 /nfs/dbraw/zinc/97/26/15/509972615.db2.gz GBKWMGGCYVPPCJ-JTSKRJEESA-N 1 2 367.493 2.891 20 30 FFEDLO C#Cc1cccc(N(CC)C(=O)C2CC[NH+](Cc3nccn3C)CC2)c1 ZINC000171192538 509997340 /nfs/dbraw/zinc/99/73/40/509997340.db2.gz DSDLGDFUDNRGPO-UHFFFAOYSA-N 1 2 350.466 2.667 20 30 FFEDLO C[C@H](Sc1cccc(C#N)c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000177355283 510010594 /nfs/dbraw/zinc/01/05/94/510010594.db2.gz IWTTYCPVEYUGQJ-HNNXBMFYSA-N 1 2 352.463 2.783 20 30 FFEDLO COc1cc(NCc2c[nH+]c3ccc(C#N)cn23)ccc1N1CCCC1=O ZINC000174287090 510040697 /nfs/dbraw/zinc/04/06/97/510040697.db2.gz HYPYFNOGPDMJPE-UHFFFAOYSA-N 1 2 361.405 2.953 20 30 FFEDLO C=CC[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000245760823 510135363 /nfs/dbraw/zinc/13/53/63/510135363.db2.gz PYCSYBFOHPWFTF-XKQJLSEDSA-N 1 2 351.878 2.976 20 30 FFEDLO C=CC[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000245760823 510135369 /nfs/dbraw/zinc/13/53/69/510135369.db2.gz PYCSYBFOHPWFTF-XKQJLSEDSA-N 1 2 351.878 2.976 20 30 FFEDLO COc1cc(C(N)=[NH+]OCCCOCC(F)(F)F)cc(Cl)c1OC ZINC000265803060 510238394 /nfs/dbraw/zinc/23/83/94/510238394.db2.gz CSNXQKJGXLKXKL-UHFFFAOYSA-N 1 2 370.755 2.963 20 30 FFEDLO CCCOc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1OC ZINC000269339233 510349450 /nfs/dbraw/zinc/34/94/50/510349450.db2.gz FNFMHCNANWNKLR-UHFFFAOYSA-N 1 2 361.486 2.532 20 30 FFEDLO Cn1cc([C@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)c2ccc(F)cc2)cn1 ZINC000184590681 510404664 /nfs/dbraw/zinc/40/46/64/510404664.db2.gz GSXHWYKYJGVUDK-HXUWFJFHSA-N 1 2 363.396 2.749 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000187918201 510500769 /nfs/dbraw/zinc/50/07/69/510500769.db2.gz FFIPGOYMBWMXOO-NRFANRHFSA-N 1 2 373.497 2.518 20 30 FFEDLO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000185179459 510731051 /nfs/dbraw/zinc/73/10/51/510731051.db2.gz RVGMHFFWMYYOTL-AWEZNQCLSA-N 1 2 355.442 2.965 20 30 FFEDLO Cc1cccc([C@H](CNC(=O)c2ccc(CC#N)cc2)[NH+]2CCOCC2)c1 ZINC000270243913 510732697 /nfs/dbraw/zinc/73/26/97/510732697.db2.gz KWLJZATUYZPIBI-NRFANRHFSA-N 1 2 363.461 2.864 20 30 FFEDLO C=C[C@H](CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)c1ccccc1 ZINC000270294640 510750715 /nfs/dbraw/zinc/75/07/15/510750715.db2.gz OZNKPNMLOMTGEZ-GOSISDBHSA-N 1 2 351.450 2.894 20 30 FFEDLO Cc1nc(N2CCN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)cc[nH+]1 ZINC000185363724 510823025 /nfs/dbraw/zinc/82/30/25/510823025.db2.gz ZKXDHVPENJRAPR-UHFFFAOYSA-N 1 2 367.457 2.567 20 30 FFEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000172671295 510841227 /nfs/dbraw/zinc/84/12/27/510841227.db2.gz UQWPQZRGGBZUNR-KRWDZBQOSA-N 1 2 373.478 2.965 20 30 FFEDLO COc1ccc(Cl)cc1NC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000329921310 510876704 /nfs/dbraw/zinc/87/67/04/510876704.db2.gz SOVKCFZVLJQWRE-HNNXBMFYSA-N 1 2 367.877 2.937 20 30 FFEDLO COc1ccc(Cl)cc1NC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000329921310 510876709 /nfs/dbraw/zinc/87/67/09/510876709.db2.gz SOVKCFZVLJQWRE-HNNXBMFYSA-N 1 2 367.877 2.937 20 30 FFEDLO C[C@]1(CNC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CCCO1 ZINC000329924320 510879310 /nfs/dbraw/zinc/87/93/10/510879310.db2.gz UWNLVDWVGKJOAX-GRDNDAEWSA-N 1 2 355.479 2.733 20 30 FFEDLO C[C@]1(CNC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CCCO1 ZINC000329924320 510879315 /nfs/dbraw/zinc/87/93/15/510879315.db2.gz UWNLVDWVGKJOAX-GRDNDAEWSA-N 1 2 355.479 2.733 20 30 FFEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)N[C@@H]1CCCC1(C)C ZINC000329950251 510883704 /nfs/dbraw/zinc/88/37/04/510883704.db2.gz CCQANYOLWKIBFR-YESZJQIVSA-N 1 2 365.497 2.757 20 30 FFEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)N[C@@H]1CCCC1(C)C ZINC000329950251 510883712 /nfs/dbraw/zinc/88/37/12/510883712.db2.gz CCQANYOLWKIBFR-YESZJQIVSA-N 1 2 365.497 2.757 20 30 FFEDLO CCS[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000329946054 510884148 /nfs/dbraw/zinc/88/41/48/510884148.db2.gz GEECPOVVOPEQGM-ARFHVFGLSA-N 1 2 365.547 2.687 20 30 FFEDLO CCN1CCN(C(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329963565 510887926 /nfs/dbraw/zinc/88/79/26/510887926.db2.gz PYXCPTIOWFTIKS-IXDOHACOSA-N 1 2 363.506 2.596 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)N[C@@H]2CCCOc3ccccc32)CCN1C ZINC000329961901 510889076 /nfs/dbraw/zinc/88/90/76/510889076.db2.gz OXDJCUUGBDZNRA-IAGOWNOFSA-N 1 2 369.469 2.537 20 30 FFEDLO NC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000329993385 510895859 /nfs/dbraw/zinc/89/58/59/510895859.db2.gz YJGYWXGFYBCVEY-OBJOEFQTSA-N 1 2 354.451 2.574 20 30 FFEDLO NC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000329993385 510895861 /nfs/dbraw/zinc/89/58/61/510895861.db2.gz YJGYWXGFYBCVEY-OBJOEFQTSA-N 1 2 354.451 2.574 20 30 FFEDLO CCN1CCN(C(=O)N[C@H](C)Cc2ccccc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330003483 510898313 /nfs/dbraw/zinc/89/83/13/510898313.db2.gz ZSWNJABOMCYJHZ-SJLPKXTDSA-N 1 2 355.486 2.942 20 30 FFEDLO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2=O)cc1 ZINC000330073046 510911258 /nfs/dbraw/zinc/91/12/58/510911258.db2.gz KDWVQPKJFKQDLG-WMZOPIPTSA-N 1 2 352.438 2.512 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330103212 510916924 /nfs/dbraw/zinc/91/69/24/510916924.db2.gz GRHPNERSAFKZTP-TYILLQQXSA-N 1 2 362.426 2.662 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330103212 510916929 /nfs/dbraw/zinc/91/69/29/510916929.db2.gz GRHPNERSAFKZTP-TYILLQQXSA-N 1 2 362.426 2.662 20 30 FFEDLO C[C@H](C(=O)NCC(F)(F)F)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285473776 510920667 /nfs/dbraw/zinc/92/06/67/510920667.db2.gz KWWZTICJZURXPR-LLVKDONJSA-N 1 2 373.350 2.608 20 30 FFEDLO CCc1nnc(C2CC[NH+](CC(=O)Nc3ccc4c(c3)OCO4)CC2)[nH]1 ZINC000330145930 510925035 /nfs/dbraw/zinc/92/50/35/510925035.db2.gz HPKGTSSUXQAFGN-UHFFFAOYSA-N 1 2 357.414 2.563 20 30 FFEDLO CCc1n[nH]c(C2CC[NH+](CC(=O)Nc3ccc4c(c3)OCO4)CC2)n1 ZINC000330145930 510925041 /nfs/dbraw/zinc/92/50/41/510925041.db2.gz HPKGTSSUXQAFGN-UHFFFAOYSA-N 1 2 357.414 2.563 20 30 FFEDLO CCc1nc(C2CC[NH+](CC(=O)Nc3ccc4c(c3)OCO4)CC2)n[nH]1 ZINC000330145930 510925047 /nfs/dbraw/zinc/92/50/47/510925047.db2.gz HPKGTSSUXQAFGN-UHFFFAOYSA-N 1 2 357.414 2.563 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000276452475 510939101 /nfs/dbraw/zinc/93/91/01/510939101.db2.gz XTSSVUFOWOUSHU-WMZOPIPTSA-N 1 2 350.422 2.625 20 30 FFEDLO Cc1ccn2cc(CNC(=O)N[C@@H]3CCO[C@]4(CCSC4)C3)[nH+]c2c1 ZINC000330223336 510941580 /nfs/dbraw/zinc/94/15/80/510941580.db2.gz SGEBTTZEPKIPGL-RDTXWAMCSA-N 1 2 360.483 2.701 20 30 FFEDLO C=CCn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000282373341 510951550 /nfs/dbraw/zinc/95/15/50/510951550.db2.gz UOOJJJDLVXPRFS-UHFFFAOYSA-N 1 2 372.517 2.980 20 30 FFEDLO C[C@@H]1CN(Cc2csc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)n2)C[C@@H](C)O1 ZINC000330273234 510953817 /nfs/dbraw/zinc/95/38/17/510953817.db2.gz YWTXGRKPTZSVKS-IOASZLSFSA-N 1 2 364.515 2.967 20 30 FFEDLO C[C@@H]1CN(Cc2csc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)n2)C[C@@H](C)O1 ZINC000330273234 510953823 /nfs/dbraw/zinc/95/38/23/510953823.db2.gz YWTXGRKPTZSVKS-IOASZLSFSA-N 1 2 364.515 2.967 20 30 FFEDLO Cc1cnc([C@H](C)[NH+]2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)cn1 ZINC000330299953 510960601 /nfs/dbraw/zinc/96/06/01/510960601.db2.gz IGIWQROUMLUUCH-RYQLBKOJSA-N 1 2 359.518 2.999 20 30 FFEDLO Cc1cnc([C@H](C)N2CC[NH+](CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)cn1 ZINC000330299953 510960607 /nfs/dbraw/zinc/96/06/07/510960607.db2.gz IGIWQROUMLUUCH-RYQLBKOJSA-N 1 2 359.518 2.999 20 30 FFEDLO Cc1cc2cccnc2c(NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c1 ZINC000330325055 510964604 /nfs/dbraw/zinc/96/46/04/510964604.db2.gz IZAKJWNBZAMVRO-KRWDZBQOSA-N 1 2 364.453 2.811 20 30 FFEDLO O=C(NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000330328334 510964621 /nfs/dbraw/zinc/96/46/21/510964621.db2.gz LPSFEDJZDHUNIL-RYUDHWBXSA-N 1 2 367.375 2.880 20 30 FFEDLO CCN1CCN(C(=O)Nc2ccc(F)c(F)c2F)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330346644 510971458 /nfs/dbraw/zinc/97/14/58/510971458.db2.gz GVEOLBKLUFGRPQ-GFCCVEGCSA-N 1 2 353.348 2.751 20 30 FFEDLO CC1(C)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]1C#N ZINC000277859514 510974631 /nfs/dbraw/zinc/97/46/31/510974631.db2.gz JUAAQRDWIXSQAJ-MRXNPFEDSA-N 1 2 353.382 2.935 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278374121 510990927 /nfs/dbraw/zinc/99/09/27/510990927.db2.gz SZFAKWQZFQWAHS-HNNXBMFYSA-N 1 2 374.460 2.795 20 30 FFEDLO C=CC[C@H]1N(C(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)CCCC1(C)C ZINC000278406923 510992493 /nfs/dbraw/zinc/99/24/93/510992493.db2.gz XGIRKJGTRAZFIN-MRXNPFEDSA-N 1 2 367.453 2.799 20 30 FFEDLO CCCn1c(C)nnc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000270838485 511001440 /nfs/dbraw/zinc/00/14/40/511001440.db2.gz UONFPYMWJXCCPQ-UHFFFAOYSA-N 1 2 366.469 2.719 20 30 FFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000279274146 511026538 /nfs/dbraw/zinc/02/65/38/511026538.db2.gz JMHSAJFWWBZUHP-HXUWFJFHSA-N 1 2 373.460 2.942 20 30 FFEDLO N#CC1(NC(=O)C[NH+]2CCC(C(=O)c3cccs3)CC2)CCCCC1 ZINC000361391561 511042253 /nfs/dbraw/zinc/04/22/53/511042253.db2.gz RZFKQSRLWOCQJZ-UHFFFAOYSA-N 1 2 359.495 2.985 20 30 FFEDLO CC[C@H](C)[C@H](NC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1)C(F)(F)F ZINC000331328172 511061293 /nfs/dbraw/zinc/06/12/93/511061293.db2.gz QQFXFSWHEIBFEZ-XQQFMLRXSA-N 1 2 361.412 2.979 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000364751797 511061628 /nfs/dbraw/zinc/06/16/28/511061628.db2.gz VAPGSQYRYKJTQI-HNNXBMFYSA-N 1 2 367.428 2.632 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000364751797 511061632 /nfs/dbraw/zinc/06/16/32/511061632.db2.gz VAPGSQYRYKJTQI-HNNXBMFYSA-N 1 2 367.428 2.632 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332583728 511085217 /nfs/dbraw/zinc/08/52/17/511085217.db2.gz GVALAMASRMZBOC-PVAVHDDUSA-N 1 2 374.510 2.875 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332583728 511085221 /nfs/dbraw/zinc/08/52/21/511085221.db2.gz GVALAMASRMZBOC-PVAVHDDUSA-N 1 2 374.510 2.875 20 30 FFEDLO COCC1(CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000297859441 511090523 /nfs/dbraw/zinc/09/05/23/511090523.db2.gz UGFSVGGVJLQPGW-UHFFFAOYSA-N 1 2 370.497 2.592 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000289236219 511095835 /nfs/dbraw/zinc/09/58/35/511095835.db2.gz OJMOKNUFOBVPDG-OKZBNKHCSA-N 1 2 363.421 2.717 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000289236219 511095839 /nfs/dbraw/zinc/09/58/39/511095839.db2.gz OJMOKNUFOBVPDG-OKZBNKHCSA-N 1 2 363.421 2.717 20 30 FFEDLO N#Cc1ccc(CS(=O)(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000361956175 511108470 /nfs/dbraw/zinc/10/84/70/511108470.db2.gz GFMPOVMMUBCQBL-UHFFFAOYSA-N 1 2 370.409 2.503 20 30 FFEDLO N#CCCN(C(=O)C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1)c1ccccc1 ZINC000289758967 511113376 /nfs/dbraw/zinc/11/33/76/511113376.db2.gz ZCIMMTBOIWDLAG-AZUAARDMSA-N 1 2 353.466 2.967 20 30 FFEDLO N#CCCN(C(=O)C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1)c1ccccc1 ZINC000289758967 511113385 /nfs/dbraw/zinc/11/33/85/511113385.db2.gz ZCIMMTBOIWDLAG-AZUAARDMSA-N 1 2 353.466 2.967 20 30 FFEDLO C=CC[C@@]1(C(=O)N2CCn3c[nH+]cc3C2)CCCN1C(=O)OC(C)(C)C ZINC000290990303 511156245 /nfs/dbraw/zinc/15/62/45/511156245.db2.gz XGBFSPNJVIXUHE-IBGZPJMESA-N 1 2 360.458 2.571 20 30 FFEDLO C[N@H+](CCc1cnccn1)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000271343284 511171220 /nfs/dbraw/zinc/17/12/20/511171220.db2.gz NQNBUESHYNIYOU-UHFFFAOYSA-N 1 2 357.845 2.551 20 30 FFEDLO C[N@@H+](CCc1cnccn1)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000271343284 511171224 /nfs/dbraw/zinc/17/12/24/511171224.db2.gz NQNBUESHYNIYOU-UHFFFAOYSA-N 1 2 357.845 2.551 20 30 FFEDLO C=CCCCNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000279823919 511230680 /nfs/dbraw/zinc/23/06/80/511230680.db2.gz APDHKPWUPPOERW-UHFFFAOYSA-N 1 2 352.438 2.907 20 30 FFEDLO CC[C@@H](CSC)[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000271585457 511254192 /nfs/dbraw/zinc/25/41/92/511254192.db2.gz QQBMMIZDNGYPJG-JSGCOSHPSA-N 1 2 358.467 2.585 20 30 FFEDLO CC[C@@H](CSC)[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000271585457 511254197 /nfs/dbraw/zinc/25/41/97/511254197.db2.gz QQBMMIZDNGYPJG-JSGCOSHPSA-N 1 2 358.467 2.585 20 30 FFEDLO CC(C)C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1nc(-c2nc[nH]n2)no1 ZINC000271666664 511280593 /nfs/dbraw/zinc/28/05/93/511280593.db2.gz MFTHSFGDXZBFRO-AWEZNQCLSA-N 1 2 355.377 2.742 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000363013981 511297318 /nfs/dbraw/zinc/29/73/18/511297318.db2.gz GOJCOQJSQFQCHA-CQSZACIVSA-N 1 2 355.829 2.820 20 30 FFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000363013981 511297319 /nfs/dbraw/zinc/29/73/19/511297319.db2.gz GOJCOQJSQFQCHA-CQSZACIVSA-N 1 2 355.829 2.820 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCCN(Cc3ccccc3)C2=O)n1 ZINC000365180173 511303195 /nfs/dbraw/zinc/30/31/95/511303195.db2.gz SVQHLPQBWAUJND-HXUWFJFHSA-N 1 2 350.466 2.529 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCCN(Cc3ccccc3)C2=O)n1 ZINC000365180173 511303201 /nfs/dbraw/zinc/30/32/01/511303201.db2.gz SVQHLPQBWAUJND-HXUWFJFHSA-N 1 2 350.466 2.529 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000291722470 511310741 /nfs/dbraw/zinc/31/07/41/511310741.db2.gz JCOFFHQVSRTAEP-CVEARBPZSA-N 1 2 365.424 2.580 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000291722470 511310746 /nfs/dbraw/zinc/31/07/46/511310746.db2.gz JCOFFHQVSRTAEP-CVEARBPZSA-N 1 2 365.424 2.580 20 30 FFEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000283293540 511311126 /nfs/dbraw/zinc/31/11/26/511311126.db2.gz OLSVNWUZTCAYKU-UHFFFAOYSA-N 1 2 359.449 2.633 20 30 FFEDLO N#Cc1ccc(CNC(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000363107410 511357926 /nfs/dbraw/zinc/35/79/26/511357926.db2.gz HFLPOTJWNIBHHV-QFIPXVFZSA-N 1 2 356.429 2.949 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3noc(-c4ccsc4)n3)C2)nc1 ZINC000292127123 511475771 /nfs/dbraw/zinc/47/57/71/511475771.db2.gz ILJFAIDZAHPDPA-CQSZACIVSA-N 1 2 353.407 2.718 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3noc(-c4ccsc4)n3)C2)nc1 ZINC000292127123 511475778 /nfs/dbraw/zinc/47/57/78/511475778.db2.gz ILJFAIDZAHPDPA-CQSZACIVSA-N 1 2 353.407 2.718 20 30 FFEDLO CC(C)CNC(=O)c1ccccc1NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272520797 511497312 /nfs/dbraw/zinc/49/73/12/511497312.db2.gz HIDIXTKRKXRWGP-UHFFFAOYSA-N 1 2 356.470 2.637 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[N@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000272550783 511498822 /nfs/dbraw/zinc/49/88/22/511498822.db2.gz WMMSNFPYDWSEEO-GFCCVEGCSA-N 1 2 357.376 2.657 20 30 FFEDLO C=CCNC(=O)[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000272550783 511498824 /nfs/dbraw/zinc/49/88/24/511498824.db2.gz WMMSNFPYDWSEEO-GFCCVEGCSA-N 1 2 357.376 2.657 20 30 FFEDLO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272580845 511499519 /nfs/dbraw/zinc/49/95/19/511499519.db2.gz OHOCBNOMSPPDAT-OAHLLOKOSA-N 1 2 354.454 2.766 20 30 FFEDLO Cn1c2ccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc2[nH+]c1C1CC1 ZINC000272717363 511505205 /nfs/dbraw/zinc/50/52/05/511505205.db2.gz SLUYEDFJMIHYFH-UHFFFAOYSA-N 1 2 365.437 2.541 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000273398953 511524634 /nfs/dbraw/zinc/52/46/34/511524634.db2.gz QMQRBEQFNYCTBJ-AWEZNQCLSA-N 1 2 358.442 2.820 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nccn3Cc3ccccc3)C2)nc1 ZINC000292272598 511531887 /nfs/dbraw/zinc/53/18/87/511531887.db2.gz SHFJXPTVGOHMPL-LJQANCHMSA-N 1 2 359.433 2.851 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nccn3Cc3ccccc3)C2)nc1 ZINC000292272598 511531894 /nfs/dbraw/zinc/53/18/94/511531894.db2.gz SHFJXPTVGOHMPL-LJQANCHMSA-N 1 2 359.433 2.851 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC3(CCC3)[C@H]2c2ccccc2)nc1 ZINC000295850706 511536199 /nfs/dbraw/zinc/53/61/99/511536199.db2.gz DJKJXJIJNJOXKD-LJQANCHMSA-N 1 2 367.474 2.954 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC3(CCC3)[C@H]2c2ccccc2)nc1 ZINC000295850706 511536202 /nfs/dbraw/zinc/53/62/02/511536202.db2.gz DJKJXJIJNJOXKD-LJQANCHMSA-N 1 2 367.474 2.954 20 30 FFEDLO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[NH+](C3CC3)CC2)o1 ZINC000299331976 511595772 /nfs/dbraw/zinc/59/57/72/511595772.db2.gz IBISDWCNCNJYFE-UHFFFAOYSA-N 1 2 351.406 2.650 20 30 FFEDLO C=CCN1C(=O)N(Cc2c[nH+]ccc2OC)C(=O)[C@H]1Cc1ccccc1 ZINC000349335005 511612051 /nfs/dbraw/zinc/61/20/51/511612051.db2.gz VLYADJIZHTZLBE-QGZVFWFLSA-N 1 2 351.406 2.652 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000299504965 511661624 /nfs/dbraw/zinc/66/16/24/511661624.db2.gz HLYWVAHOPLDCLU-UHFFFAOYSA-N 1 2 360.845 2.509 20 30 FFEDLO CC#CCCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1[nH+]ccn1C ZINC000284372236 511700690 /nfs/dbraw/zinc/70/06/90/511700690.db2.gz FMRLHLUJKFCHIL-MRXNPFEDSA-N 1 2 374.485 2.734 20 30 FFEDLO C=C(C)[C@H](Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1)c1ccc(F)c(F)c1 ZINC000302509941 511709721 /nfs/dbraw/zinc/70/97/21/511709721.db2.gz WYUTWVUYGAKAEX-IBGZPJMESA-N 1 2 373.407 2.763 20 30 FFEDLO C=C(C)[C@H](Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)c1ccc(F)c(F)c1 ZINC000302509941 511709725 /nfs/dbraw/zinc/70/97/25/511709725.db2.gz WYUTWVUYGAKAEX-IBGZPJMESA-N 1 2 373.407 2.763 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000292798001 511722596 /nfs/dbraw/zinc/72/25/96/511722596.db2.gz SADGOYWMAQBARO-UHFFFAOYSA-N 1 2 363.465 2.940 20 30 FFEDLO CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000303177557 511729053 /nfs/dbraw/zinc/72/90/53/511729053.db2.gz WQPLAIWXOIPGMK-OXJNMPFZSA-N 1 2 358.486 2.780 20 30 FFEDLO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000303177557 511729060 /nfs/dbraw/zinc/72/90/60/511729060.db2.gz WQPLAIWXOIPGMK-OXJNMPFZSA-N 1 2 358.486 2.780 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nc3cc(C(F)(F)F)ccc3n2C)C1=O ZINC000281133504 511731637 /nfs/dbraw/zinc/73/16/37/511731637.db2.gz DDKNUHFLHBIMEA-OAHLLOKOSA-N 1 2 366.387 2.811 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nc3cc(C(F)(F)F)ccc3n2C)C1=O ZINC000281133504 511731641 /nfs/dbraw/zinc/73/16/41/511731641.db2.gz DDKNUHFLHBIMEA-OAHLLOKOSA-N 1 2 366.387 2.811 20 30 FFEDLO Cn1c[nH+]cc1Cc1noc(C2CCN(c3ccc(C#N)cc3F)CC2)n1 ZINC000350209928 511746131 /nfs/dbraw/zinc/74/61/31/511746131.db2.gz LWYPYPJWIQZENB-UHFFFAOYSA-N 1 2 366.400 2.789 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000281301766 511796634 /nfs/dbraw/zinc/79/66/34/511796634.db2.gz HYTJLJFSHFCYRX-HNAYVOBHSA-N 1 2 359.495 2.973 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)C1=O ZINC000281435037 511846067 /nfs/dbraw/zinc/84/60/67/511846067.db2.gz SUYYRSSCRRBORW-SWLSCSKDSA-N 1 2 369.387 2.751 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)C1=O ZINC000281435037 511846072 /nfs/dbraw/zinc/84/60/72/511846072.db2.gz SUYYRSSCRRBORW-SWLSCSKDSA-N 1 2 369.387 2.751 20 30 FFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000328599098 511889510 /nfs/dbraw/zinc/88/95/10/511889510.db2.gz BRZOWYQPACKUOQ-KRWDZBQOSA-N 1 2 373.501 2.547 20 30 FFEDLO O=C(C[N@@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1)NC[C@@H]1CCCO1 ZINC000328602156 511890820 /nfs/dbraw/zinc/89/08/20/511890820.db2.gz GPDALXPMSXMXPZ-RYUDHWBXSA-N 1 2 360.380 2.743 20 30 FFEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328703959 511917227 /nfs/dbraw/zinc/91/72/27/511917227.db2.gz OLUZLGLTUQXMOW-UAGQMJEPSA-N 1 2 366.469 2.728 20 30 FFEDLO O=C(C[NH+]1CCN(c2cccnn2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000328705003 511917811 /nfs/dbraw/zinc/91/78/11/511917811.db2.gz KXJKAWATKINUMG-UHFFFAOYSA-N 1 2 355.486 2.524 20 30 FFEDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cn2c(n1)CCCC2 ZINC000328729256 511921610 /nfs/dbraw/zinc/92/16/10/511921610.db2.gz VYEAYBUEXBYTOR-UHFFFAOYSA-N 1 2 354.454 2.556 20 30 FFEDLO Cn1c2ccc(CNC(=O)C[C@@H]3CCS(=O)(=O)C3)cc2[nH+]c1C1CC1 ZINC000328799201 511932578 /nfs/dbraw/zinc/93/25/78/511932578.db2.gz XKOSDVNXKLPBNS-ZDUSSCGKSA-N 1 2 361.467 2.732 20 30 FFEDLO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000328796110 511932589 /nfs/dbraw/zinc/93/25/89/511932589.db2.gz UMERKJPYNZLLKR-HNNXBMFYSA-N 1 2 364.471 2.825 20 30 FFEDLO C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000328908354 511949164 /nfs/dbraw/zinc/94/91/64/511949164.db2.gz CWSYUEZVTPIFOP-OXQOHEQNSA-N 1 2 367.497 2.775 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(-c2ccccc2)on1 ZINC000284996143 511962194 /nfs/dbraw/zinc/96/21/94/511962194.db2.gz LHOLTXSCTMJQTO-HNNXBMFYSA-N 1 2 360.421 2.714 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(-c2ccccc2)on1 ZINC000284996143 511962202 /nfs/dbraw/zinc/96/22/02/511962202.db2.gz LHOLTXSCTMJQTO-HNNXBMFYSA-N 1 2 360.421 2.714 20 30 FFEDLO Cc1ccc[nH+]c1CCc1noc(CCc2c(C)[nH]c(=O)c(C#N)c2C)n1 ZINC000351126073 511962586 /nfs/dbraw/zinc/96/25/86/511962586.db2.gz CKBMSSNGPFIFQL-UHFFFAOYSA-N 1 2 363.421 2.933 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCCC(F)(F)C1)C1CCOCC1 ZINC000328989128 511962640 /nfs/dbraw/zinc/96/26/40/511962640.db2.gz FELURKUPQSXMOI-ZIAGYGMSSA-N 1 2 356.417 2.969 20 30 FFEDLO NC(=[NH+]OCC[C@@H](O)c1ccccc1)c1ccc(N2CCCCC2)nc1 ZINC000285042100 511980544 /nfs/dbraw/zinc/98/05/44/511980544.db2.gz FYDOWUPESLIHCK-GOSISDBHSA-N 1 2 354.454 2.833 20 30 FFEDLO O=C(C[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1)NCCC1=CCCCC1 ZINC000329096034 511982204 /nfs/dbraw/zinc/98/22/04/511982204.db2.gz LBIYTOVSAQSYLU-KRWDZBQOSA-N 1 2 365.543 2.873 20 30 FFEDLO O=C(C[N@H+]1CCC[C@H]1C(=O)N1CCSCC1)NCCC1=CCCCC1 ZINC000329096034 511982205 /nfs/dbraw/zinc/98/22/05/511982205.db2.gz LBIYTOVSAQSYLU-KRWDZBQOSA-N 1 2 365.543 2.873 20 30 FFEDLO Cc1nc(C#N)c(N2CCC(c3nc(Cc4ccc[nH+]c4C)no3)CC2)o1 ZINC000351234097 511993436 /nfs/dbraw/zinc/99/34/36/511993436.db2.gz MQBXETBSXGDJDY-UHFFFAOYSA-N 1 2 364.409 2.916 20 30 FFEDLO CCn1cnc2c(c1=O)CC[N@H+](CC(=O)N[C@H]1CCCc3ccccc31)C2 ZINC000329181904 511999780 /nfs/dbraw/zinc/99/97/80/511999780.db2.gz NOMMZDORLKRUQG-SFHVURJKSA-N 1 2 366.465 2.655 20 30 FFEDLO CCn1cnc2c(c1=O)CC[N@@H+](CC(=O)N[C@H]1CCCc3ccccc31)C2 ZINC000329181904 511999785 /nfs/dbraw/zinc/99/97/85/511999785.db2.gz NOMMZDORLKRUQG-SFHVURJKSA-N 1 2 366.465 2.655 20 30 FFEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000329190072 512001174 /nfs/dbraw/zinc/00/11/74/512001174.db2.gz RTXUCSQLRSNJRL-NUJGCVRESA-N 1 2 373.501 2.614 20 30 FFEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CC(=O)N(C3CCCCC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000329190072 512001183 /nfs/dbraw/zinc/00/11/83/512001183.db2.gz RTXUCSQLRSNJRL-NUJGCVRESA-N 1 2 373.501 2.614 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000281907462 512008024 /nfs/dbraw/zinc/00/80/24/512008024.db2.gz VHOBXXUGVCMIRI-YJBOKZPZSA-N 1 2 358.417 2.792 20 30 FFEDLO O=C(NCc1ccn(-c2ccccc2)n1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329228077 512008943 /nfs/dbraw/zinc/00/89/43/512008943.db2.gz BLVLQGWGWYLJQZ-IBGZPJMESA-N 1 2 354.454 2.972 20 30 FFEDLO O=C(NCc1ccn(-c2ccccc2)n1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329228077 512008950 /nfs/dbraw/zinc/00/89/50/512008950.db2.gz BLVLQGWGWYLJQZ-IBGZPJMESA-N 1 2 354.454 2.972 20 30 FFEDLO CC[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000329227680 512009510 /nfs/dbraw/zinc/00/95/10/512009510.db2.gz IFHWMPQESCOXTA-IDHHARJASA-N 1 2 373.501 2.651 20 30 FFEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC000329246593 512013062 /nfs/dbraw/zinc/01/30/62/512013062.db2.gz VUKVRQDCVGHDCH-MRXNPFEDSA-N 1 2 374.485 2.690 20 30 FFEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC000329246593 512013066 /nfs/dbraw/zinc/01/30/66/512013066.db2.gz VUKVRQDCVGHDCH-MRXNPFEDSA-N 1 2 374.485 2.690 20 30 FFEDLO CCC(CC)[C@@H]1C[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)CCO1 ZINC000329256788 512015186 /nfs/dbraw/zinc/01/51/86/512015186.db2.gz DTDXWRWXXGKCCP-OWYHZJEWSA-N 1 2 367.534 2.679 20 30 FFEDLO C[C@@H]1C[C@@H](C)CN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000329320107 512026562 /nfs/dbraw/zinc/02/65/62/512026562.db2.gz IUBISYSKPGZGED-NPNMTCQASA-N 1 2 373.501 2.507 20 30 FFEDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCC[C@@H]1C1CCOCC1 ZINC000329405803 512040203 /nfs/dbraw/zinc/04/02/03/512040203.db2.gz ATMUBTQFERXMSV-GOSISDBHSA-N 1 2 358.486 2.987 20 30 FFEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ncc(C4CCCCC4)s3)C[C@@H]21 ZINC000329476811 512054368 /nfs/dbraw/zinc/05/43/68/512054368.db2.gz UFPNSUFJVTYIGE-KBPBESRZSA-N 1 2 350.488 2.751 20 30 FFEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ncc(C4CCCCC4)s3)C[C@@H]21 ZINC000329476811 512054375 /nfs/dbraw/zinc/05/43/75/512054375.db2.gz UFPNSUFJVTYIGE-KBPBESRZSA-N 1 2 350.488 2.751 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC3CCCCC3)C2)[nH]1 ZINC000329480451 512054787 /nfs/dbraw/zinc/05/47/87/512054787.db2.gz QTBYRLBVZMFQHL-TZMCWYRMSA-N 1 2 362.478 2.884 20 30 FFEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)NC(=O)NC3CCCCC3)C2)[nH]1 ZINC000329480451 512054791 /nfs/dbraw/zinc/05/47/91/512054791.db2.gz QTBYRLBVZMFQHL-TZMCWYRMSA-N 1 2 362.478 2.884 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC3CCCCC3)C2)n1 ZINC000329480451 512054795 /nfs/dbraw/zinc/05/47/95/512054795.db2.gz QTBYRLBVZMFQHL-TZMCWYRMSA-N 1 2 362.478 2.884 20 30 FFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)NC(=O)NC3CCCCC3)C2)n1 ZINC000329480451 512054799 /nfs/dbraw/zinc/05/47/99/512054799.db2.gz QTBYRLBVZMFQHL-TZMCWYRMSA-N 1 2 362.478 2.884 20 30 FFEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC3CCCCC3)C2)n[nH]1 ZINC000329480451 512054807 /nfs/dbraw/zinc/05/48/07/512054807.db2.gz QTBYRLBVZMFQHL-TZMCWYRMSA-N 1 2 362.478 2.884 20 30 FFEDLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)NC(=O)NC3CCCCC3)C2)n[nH]1 ZINC000329480451 512054810 /nfs/dbraw/zinc/05/48/10/512054810.db2.gz QTBYRLBVZMFQHL-TZMCWYRMSA-N 1 2 362.478 2.884 20 30 FFEDLO Cc1c(C#N)c(NCC(C)(C)[NH+]2CCS(=O)CC2)nc2ccccc12 ZINC000297196407 512057618 /nfs/dbraw/zinc/05/76/18/512057618.db2.gz RCMDBQLGROAUCP-UHFFFAOYSA-N 1 2 356.495 2.670 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285263707 512057695 /nfs/dbraw/zinc/05/76/95/512057695.db2.gz IAZBFUPSYDIGCW-LPHOPBHVSA-N 1 2 364.511 2.533 20 30 FFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285263707 512057702 /nfs/dbraw/zinc/05/77/02/512057702.db2.gz IAZBFUPSYDIGCW-LPHOPBHVSA-N 1 2 364.511 2.533 20 30 FFEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000329506461 512059651 /nfs/dbraw/zinc/05/96/51/512059651.db2.gz ZPJZLLHJEFANHC-DOTOQJQBSA-N 1 2 374.485 2.744 20 30 FFEDLO CC(=O)N1CCC(CCC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)CC1 ZINC000329612846 512077810 /nfs/dbraw/zinc/07/78/10/512077810.db2.gz KDWHOAWRGVNFCW-UHFFFAOYSA-N 1 2 350.488 2.758 20 30 FFEDLO CC(=O)N1CCC(CCC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)CC1 ZINC000329612846 512077813 /nfs/dbraw/zinc/07/78/13/512077813.db2.gz KDWHOAWRGVNFCW-UHFFFAOYSA-N 1 2 350.488 2.758 20 30 FFEDLO C[C@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)c2ccsc2S1(=O)=O ZINC000329723415 512089874 /nfs/dbraw/zinc/08/98/74/512089874.db2.gz FNRPEBWUOIUJNR-MJVIPROJSA-N 1 2 365.480 2.771 20 30 FFEDLO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000329899959 512106113 /nfs/dbraw/zinc/10/61/13/512106113.db2.gz FVSSIWJYMOXQEE-WMLDXEAASA-N 1 2 358.417 2.572 20 30 FFEDLO CC(C)(C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)c1cc(F)cc(C#N)c1 ZINC000375684091 512454785 /nfs/dbraw/zinc/45/47/85/512454785.db2.gz CNDIIHCPTDAESL-UHFFFAOYSA-N 1 2 363.396 2.872 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC000375929912 512574909 /nfs/dbraw/zinc/57/49/09/512574909.db2.gz GOUOBCXICXVEKO-QGZVFWFLSA-N 1 2 354.479 2.931 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC000375929907 512574963 /nfs/dbraw/zinc/57/49/63/512574963.db2.gz GOUOBCXICXVEKO-KRWDZBQOSA-N 1 2 354.479 2.931 20 30 FFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N=c1cc(C)n(CCC#N)[nH]1 ZINC000373930844 512576383 /nfs/dbraw/zinc/57/63/83/512576383.db2.gz BKYHARGBXPWIGD-HNNXBMFYSA-N 1 2 355.446 2.503 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000374026068 512629187 /nfs/dbraw/zinc/62/91/87/512629187.db2.gz IQQTYISUVCLNMY-NARAOEGZSA-N 1 2 357.454 2.544 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000374026068 512629191 /nfs/dbraw/zinc/62/91/91/512629191.db2.gz IQQTYISUVCLNMY-NARAOEGZSA-N 1 2 357.454 2.544 20 30 FFEDLO C=C(C)C[NH+]1CCC(N[C@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000369963160 512702517 /nfs/dbraw/zinc/70/25/17/512702517.db2.gz CGIWZGPMGIMPML-KRWDZBQOSA-N 1 2 352.475 2.674 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000374199021 512704272 /nfs/dbraw/zinc/70/42/72/512704272.db2.gz VUQCVVLZXRIWRY-UHFFFAOYSA-N 1 2 368.437 2.709 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374199021 512704276 /nfs/dbraw/zinc/70/42/76/512704276.db2.gz VUQCVVLZXRIWRY-UHFFFAOYSA-N 1 2 368.437 2.709 20 30 FFEDLO CC(=O)c1ccc2c(c1)CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)CC2 ZINC000374325048 512767802 /nfs/dbraw/zinc/76/78/02/512767802.db2.gz CLMZOMTYEGZWSI-UHFFFAOYSA-N 1 2 353.466 2.632 20 30 FFEDLO CC(=O)c1ccc2c(c1)CC[N@H+](CC(=O)NC1(C#N)CCCCC1)CC2 ZINC000374325048 512767806 /nfs/dbraw/zinc/76/78/06/512767806.db2.gz CLMZOMTYEGZWSI-UHFFFAOYSA-N 1 2 353.466 2.632 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000374329387 512771120 /nfs/dbraw/zinc/77/11/20/512771120.db2.gz FFNWTKWKANNXLZ-KRWDZBQOSA-N 1 2 352.438 2.857 20 30 FFEDLO COc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC[NH2+]1 ZINC000374379025 512802183 /nfs/dbraw/zinc/80/21/83/512802183.db2.gz UYFZOXPNBZHDCI-QAPCUYQASA-N 1 2 365.433 2.507 20 30 FFEDLO COc1ccccc1[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2C#N)CC[NH2+]1 ZINC000374379026 512802411 /nfs/dbraw/zinc/80/24/11/512802411.db2.gz UYFZOXPNBZHDCI-YJBOKZPZSA-N 1 2 365.433 2.507 20 30 FFEDLO N#Cc1ccccc1OCC[N@H+]1CCc2c(sc3ncnc(N)c23)C1 ZINC000372370056 512838030 /nfs/dbraw/zinc/83/80/30/512838030.db2.gz PASIJJRGNSLRKU-UHFFFAOYSA-N 1 2 351.435 2.582 20 30 FFEDLO N#Cc1ccccc1OCC[N@@H+]1CCc2c(sc3ncnc(N)c23)C1 ZINC000372370056 512838035 /nfs/dbraw/zinc/83/80/35/512838035.db2.gz PASIJJRGNSLRKU-UHFFFAOYSA-N 1 2 351.435 2.582 20 30 FFEDLO N#Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)ccc1C(F)(F)F ZINC000374458198 512841542 /nfs/dbraw/zinc/84/15/42/512841542.db2.gz YOLSMRKTKOXFCG-CYBMUJFWSA-N 1 2 370.356 2.826 20 30 FFEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000370251520 512843412 /nfs/dbraw/zinc/84/34/12/512843412.db2.gz LXZWWKAXQMFQMT-HXUWFJFHSA-N 1 2 373.460 2.898 20 30 FFEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000370251520 512843416 /nfs/dbraw/zinc/84/34/16/512843416.db2.gz LXZWWKAXQMFQMT-HXUWFJFHSA-N 1 2 373.460 2.898 20 30 FFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000374491703 512856636 /nfs/dbraw/zinc/85/66/36/512856636.db2.gz GXHMDWTXGNVHLK-UHFFFAOYSA-N 1 2 366.469 2.701 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000368517681 512984714 /nfs/dbraw/zinc/98/47/14/512984714.db2.gz CJRKLDCOARFBKI-HNNXBMFYSA-N 1 2 353.426 2.737 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)C1=O ZINC000368530401 512989259 /nfs/dbraw/zinc/98/92/59/512989259.db2.gz MAANWEQSJWPMNL-JYJNAYRXSA-N 1 2 361.511 2.519 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)C1=O ZINC000368530401 512989264 /nfs/dbraw/zinc/98/92/64/512989264.db2.gz MAANWEQSJWPMNL-JYJNAYRXSA-N 1 2 361.511 2.519 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c(C#N)c1C ZINC000374909245 513066880 /nfs/dbraw/zinc/06/68/80/513066880.db2.gz JILJYQMWZUYSGY-IBGZPJMESA-N 1 2 373.453 2.908 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c(C#N)c1C ZINC000374909245 513066884 /nfs/dbraw/zinc/06/68/84/513066884.db2.gz JILJYQMWZUYSGY-IBGZPJMESA-N 1 2 373.453 2.908 20 30 FFEDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000368844528 513119643 /nfs/dbraw/zinc/11/96/43/513119643.db2.gz NQYAUEOEMIZPCS-KDOFPFPSSA-N 1 2 368.437 2.781 20 30 FFEDLO Cc1noc(C)c1CO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000368844528 513119644 /nfs/dbraw/zinc/11/96/44/513119644.db2.gz NQYAUEOEMIZPCS-KDOFPFPSSA-N 1 2 368.437 2.781 20 30 FFEDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000368848458 513120979 /nfs/dbraw/zinc/12/09/79/513120979.db2.gz XDQKFWLBTBBVAU-PBHICJAKSA-N 1 2 368.437 2.781 20 30 FFEDLO Cc1noc(C)c1CO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000368848458 513120981 /nfs/dbraw/zinc/12/09/81/513120981.db2.gz XDQKFWLBTBBVAU-PBHICJAKSA-N 1 2 368.437 2.781 20 30 FFEDLO CC[NH+](CC)CC1CCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)CC1 ZINC000439669462 513158857 /nfs/dbraw/zinc/15/88/57/513158857.db2.gz FPOWKXGKYZMWOI-UHFFFAOYSA-N 1 2 362.499 2.575 20 30 FFEDLO COc1ccc(-c2noc(C[N@H+]3CC=C(c4ccc(C#N)cc4)CC3)n2)nn1 ZINC000450644593 513289002 /nfs/dbraw/zinc/28/90/02/513289002.db2.gz GABVUXWKLWVPLW-UHFFFAOYSA-N 1 2 374.404 2.696 20 30 FFEDLO COc1ccc(-c2noc(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)n2)nn1 ZINC000450644593 513289005 /nfs/dbraw/zinc/28/90/05/513289005.db2.gz GABVUXWKLWVPLW-UHFFFAOYSA-N 1 2 374.404 2.696 20 30 FFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000412843010 513296358 /nfs/dbraw/zinc/29/63/58/513296358.db2.gz RLDXHFJVJBKKEY-HXUWFJFHSA-N 1 2 365.477 2.831 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429266766 513321054 /nfs/dbraw/zinc/32/10/54/513321054.db2.gz YFTDMZKMEHJMFW-GUXCAODWSA-N 1 2 360.477 2.779 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429266766 513321059 /nfs/dbraw/zinc/32/10/59/513321059.db2.gz YFTDMZKMEHJMFW-GUXCAODWSA-N 1 2 360.477 2.779 20 30 FFEDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000440627720 513366731 /nfs/dbraw/zinc/36/67/31/513366731.db2.gz QZAASDQCTYQLAS-NRSPTQNISA-N 1 2 368.525 2.906 20 30 FFEDLO COc1cc(C[N@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)cc(OC)c1 ZINC000434718253 513406194 /nfs/dbraw/zinc/40/61/94/513406194.db2.gz PBAINEYMWYPMCJ-QGZVFWFLSA-N 1 2 371.462 2.874 20 30 FFEDLO COc1cc(C[N@@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)cc(OC)c1 ZINC000434718253 513406200 /nfs/dbraw/zinc/40/62/00/513406200.db2.gz PBAINEYMWYPMCJ-QGZVFWFLSA-N 1 2 371.462 2.874 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCCN(c3ccccc3Cl)CC2)cc1 ZINC000451005555 513451804 /nfs/dbraw/zinc/45/18/04/513451804.db2.gz YKMWOHCLNUTMKF-LJQANCHMSA-N 1 2 368.868 2.950 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCCN(c3ccccc3Cl)CC2)cc1 ZINC000451005555 513451806 /nfs/dbraw/zinc/45/18/06/513451806.db2.gz YKMWOHCLNUTMKF-LJQANCHMSA-N 1 2 368.868 2.950 20 30 FFEDLO CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425237393 513468157 /nfs/dbraw/zinc/46/81/57/513468157.db2.gz RZNABVBEOFFMOK-CYBMUJFWSA-N 1 2 354.376 2.889 20 30 FFEDLO N#CCC1(CS(=O)(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)CC1 ZINC000451529694 513811488 /nfs/dbraw/zinc/81/14/88/513811488.db2.gz GYYKRZYQLFFAAX-QGZVFWFLSA-N 1 2 373.478 2.724 20 30 FFEDLO C=C[C@](C)(CC)C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000442959848 513829058 /nfs/dbraw/zinc/82/90/58/513829058.db2.gz VYZBXQQZNYTYOB-HXUWFJFHSA-N 1 2 356.470 2.978 20 30 FFEDLO N#Cc1cccc(N2CC[NH+](Cc3cnc(-c4ccco4)s3)CC2)n1 ZINC000426158959 513860669 /nfs/dbraw/zinc/86/06/69/513860669.db2.gz FNSKUBMNRFKORW-UHFFFAOYSA-N 1 2 351.435 2.992 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1 ZINC000451684889 513910029 /nfs/dbraw/zinc/91/00/29/513910029.db2.gz WMOJTVOZOSKPFM-CABCVRRESA-N 1 2 374.466 2.622 20 30 FFEDLO O=S1(=O)CC[C@@]2(C1)CCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000451741560 513951557 /nfs/dbraw/zinc/95/15/57/513951557.db2.gz NUBWQKYOGQPQMZ-KRWDZBQOSA-N 1 2 371.424 2.958 20 30 FFEDLO O=S1(=O)CC[C@@]2(C1)CCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000451741560 513951568 /nfs/dbraw/zinc/95/15/68/513951568.db2.gz NUBWQKYOGQPQMZ-KRWDZBQOSA-N 1 2 371.424 2.958 20 30 FFEDLO C[C@H](Cc1nnc(SC[C@H](O)C[N@H+](C)CCC#N)o1)c1ccccc1 ZINC000414136132 513984439 /nfs/dbraw/zinc/98/44/39/513984439.db2.gz HQTJPMDSOVQZOJ-GDBMZVCRSA-N 1 2 360.483 2.714 20 30 FFEDLO C[C@H](Cc1nnc(SC[C@H](O)C[N@@H+](C)CCC#N)o1)c1ccccc1 ZINC000414136132 513984447 /nfs/dbraw/zinc/98/44/47/513984447.db2.gz HQTJPMDSOVQZOJ-GDBMZVCRSA-N 1 2 360.483 2.714 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccccc1OCc1cccc(F)c1 ZINC000414140399 513985361 /nfs/dbraw/zinc/98/53/61/513985361.db2.gz GWCGCNPKBGCHBC-GOSISDBHSA-N 1 2 358.413 2.990 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1OCc1cccc(F)c1 ZINC000414140399 513985366 /nfs/dbraw/zinc/98/53/66/513985366.db2.gz GWCGCNPKBGCHBC-GOSISDBHSA-N 1 2 358.413 2.990 20 30 FFEDLO Cc1ccc(C(=O)Nc2ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc2)cc1 ZINC000414139259 513986488 /nfs/dbraw/zinc/98/64/88/513986488.db2.gz JEIQIOIGCIJGPC-IBGZPJMESA-N 1 2 367.449 2.833 20 30 FFEDLO Cc1ccc(C(=O)Nc2ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc2)cc1 ZINC000414139259 513986491 /nfs/dbraw/zinc/98/64/91/513986491.db2.gz JEIQIOIGCIJGPC-IBGZPJMESA-N 1 2 367.449 2.833 20 30 FFEDLO CSc1ccc(OC[C@@H](O)C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000414147550 513988755 /nfs/dbraw/zinc/98/87/55/513988755.db2.gz MPQKFVWRIMLTLD-INIZCTEOSA-N 1 2 370.474 2.783 20 30 FFEDLO CC[C@H](c1nnc(SC[C@H](O)C[N@H+](C)CCC#N)o1)c1ccccc1 ZINC000414151136 513990262 /nfs/dbraw/zinc/99/02/62/513990262.db2.gz PRAUVPVYJBXWQB-CVEARBPZSA-N 1 2 360.483 2.910 20 30 FFEDLO CC[C@H](c1nnc(SC[C@H](O)C[N@@H+](C)CCC#N)o1)c1ccccc1 ZINC000414151136 513990266 /nfs/dbraw/zinc/99/02/66/513990266.db2.gz PRAUVPVYJBXWQB-CVEARBPZSA-N 1 2 360.483 2.910 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(Br)c1F ZINC000448996353 514015530 /nfs/dbraw/zinc/01/55/30/514015530.db2.gz SHDBOBMJQRDUKE-UHFFFAOYSA-N 1 2 370.266 2.636 20 30 FFEDLO COCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(F)c(Cl)c1 ZINC000451978928 514106229 /nfs/dbraw/zinc/10/62/29/514106229.db2.gz QAKNWSSRZOHFLA-GOSISDBHSA-N 1 2 367.852 2.736 20 30 FFEDLO COCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(F)c(Cl)c1 ZINC000451978928 514106237 /nfs/dbraw/zinc/10/62/37/514106237.db2.gz QAKNWSSRZOHFLA-GOSISDBHSA-N 1 2 367.852 2.736 20 30 FFEDLO C=CCC(C)(C)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000432554515 514226829 /nfs/dbraw/zinc/22/68/29/514226829.db2.gz CQPTVWNCVAFOOU-MOPGFXCFSA-N 1 2 357.498 2.884 20 30 FFEDLO C=CCC(C)(C)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000432554515 514226833 /nfs/dbraw/zinc/22/68/33/514226833.db2.gz CQPTVWNCVAFOOU-MOPGFXCFSA-N 1 2 357.498 2.884 20 30 FFEDLO COCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc(C#N)cc1 ZINC000444623936 514276888 /nfs/dbraw/zinc/27/68/88/514276888.db2.gz CRUOYLMCVJEFRM-UHFFFAOYSA-N 1 2 365.393 2.991 20 30 FFEDLO COCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc(C#N)cc1 ZINC000444623936 514276893 /nfs/dbraw/zinc/27/68/93/514276893.db2.gz CRUOYLMCVJEFRM-UHFFFAOYSA-N 1 2 365.393 2.991 20 30 FFEDLO Cc1cc(CNC(=O)N(C)CCOCc2ccc(C#N)cc2)cc(C)[nH+]1 ZINC000420840161 514330542 /nfs/dbraw/zinc/33/05/42/514330542.db2.gz ABMDUUKYCPZTCF-UHFFFAOYSA-N 1 2 352.438 2.928 20 30 FFEDLO O=C1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)[C@H]2CCCC[C@@H]2N1 ZINC000438542592 514398619 /nfs/dbraw/zinc/39/86/19/514398619.db2.gz WQOWJAUQZWIUNZ-HOTGVXAUSA-N 1 2 352.356 2.680 20 30 FFEDLO O=C1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)[C@H]2CCCC[C@@H]2N1 ZINC000438542592 514398623 /nfs/dbraw/zinc/39/86/23/514398623.db2.gz WQOWJAUQZWIUNZ-HOTGVXAUSA-N 1 2 352.356 2.680 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000420951496 514399423 /nfs/dbraw/zinc/39/94/23/514399423.db2.gz QYALKIDGZPSWIJ-CQSZACIVSA-N 1 2 360.401 2.996 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000420951496 514399429 /nfs/dbraw/zinc/39/94/29/514399429.db2.gz QYALKIDGZPSWIJ-CQSZACIVSA-N 1 2 360.401 2.996 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCc2ncsc2C1 ZINC000445840742 514530026 /nfs/dbraw/zinc/53/00/26/514530026.db2.gz RUJJRJFGBZQKGM-ZDUSSCGKSA-N 1 2 358.442 2.976 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCc2ncsc2C1 ZINC000445840742 514530034 /nfs/dbraw/zinc/53/00/34/514530034.db2.gz RUJJRJFGBZQKGM-ZDUSSCGKSA-N 1 2 358.442 2.976 20 30 FFEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000475185355 514580439 /nfs/dbraw/zinc/58/04/39/514580439.db2.gz IDLCDDBJEPEZQW-INIZCTEOSA-N 1 2 366.465 2.805 20 30 FFEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000475304840 514611367 /nfs/dbraw/zinc/61/13/67/514611367.db2.gz SCNDHPMGJUMQLS-UHFFFAOYSA-N 1 2 355.482 2.784 20 30 FFEDLO CNC(=O)Cc1nc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cs1 ZINC000502532352 514684017 /nfs/dbraw/zinc/68/40/17/514684017.db2.gz ZFQXKNSUOFKWEH-UHFFFAOYSA-N 1 2 352.463 2.593 20 30 FFEDLO CNC(=O)Cc1nc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cs1 ZINC000502532352 514684025 /nfs/dbraw/zinc/68/40/25/514684025.db2.gz ZFQXKNSUOFKWEH-UHFFFAOYSA-N 1 2 352.463 2.593 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000470950451 514687729 /nfs/dbraw/zinc/68/77/29/514687729.db2.gz YCQNWSWJDOVSEJ-IBGZPJMESA-N 1 2 355.401 2.743 20 30 FFEDLO CCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@@H](CC)C(=O)OCC ZINC000484559783 514690132 /nfs/dbraw/zinc/69/01/32/514690132.db2.gz XTHUQJDJFVHGFA-INIZCTEOSA-N 1 2 351.491 2.725 20 30 FFEDLO CCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@@H](CC)C(=O)OCC ZINC000484559783 514690139 /nfs/dbraw/zinc/69/01/39/514690139.db2.gz XTHUQJDJFVHGFA-INIZCTEOSA-N 1 2 351.491 2.725 20 30 FFEDLO CC(C)[C@H](C)NC(=O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471002732 514712625 /nfs/dbraw/zinc/71/26/25/514712625.db2.gz AYSVZCRAUXDGDD-YJBOKZPZSA-N 1 2 362.905 2.683 20 30 FFEDLO CC(C)N1CCC[C@H]([NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1=O ZINC000471013343 514716444 /nfs/dbraw/zinc/71/64/44/514716444.db2.gz WIRHQTFCLCMTGZ-OALUTQOASA-N 1 2 374.916 2.922 20 30 FFEDLO CO[C@@]1(C)C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000466675358 514724379 /nfs/dbraw/zinc/72/43/79/514724379.db2.gz HCCRAGBOOYSWEE-RXVVDRJESA-N 1 2 370.497 2.589 20 30 FFEDLO C[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000461886928 514769005 /nfs/dbraw/zinc/76/90/05/514769005.db2.gz CPVVJZXIRTUJDP-UWJYYQICSA-N 1 2 363.461 2.851 20 30 FFEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)[C@H]1C ZINC000471148902 514769237 /nfs/dbraw/zinc/76/92/37/514769237.db2.gz WWFOLERLGFMMMC-ZFMNYDKASA-N 1 2 368.525 2.810 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(O)cc3Cl)CC2)cc1 ZINC000508522078 514806971 /nfs/dbraw/zinc/80/69/71/514806971.db2.gz OXTLCMYNKPAOCB-UHFFFAOYSA-N 1 2 369.852 2.804 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)OC[C@@H]2CC)cc1 ZINC000508709458 514871289 /nfs/dbraw/zinc/87/12/89/514871289.db2.gz LWCRWCDYEOASKX-IRXDYDNUSA-N 1 2 359.470 2.831 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)OC[C@@H]2CC)cc1 ZINC000508709458 514871297 /nfs/dbraw/zinc/87/12/97/514871297.db2.gz LWCRWCDYEOASKX-IRXDYDNUSA-N 1 2 359.470 2.831 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000467115138 514902301 /nfs/dbraw/zinc/90/23/01/514902301.db2.gz FSMAHFQITDVWGB-HNNXBMFYSA-N 1 2 356.470 2.978 20 30 FFEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)cc1OC ZINC000503116889 514924047 /nfs/dbraw/zinc/92/40/47/514924047.db2.gz BILCLDUYTRRCKO-MRXNPFEDSA-N 1 2 353.484 2.659 20 30 FFEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)CC2)cc1OC ZINC000503116889 514924056 /nfs/dbraw/zinc/92/40/56/514924056.db2.gz BILCLDUYTRRCKO-MRXNPFEDSA-N 1 2 353.484 2.659 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)Cc1c(F)cccc1C#N)C2 ZINC000509058355 515006037 /nfs/dbraw/zinc/00/60/37/515006037.db2.gz VZXYEGSWOUTHKC-AWEZNQCLSA-N 1 2 354.429 2.865 20 30 FFEDLO COc1ccc(F)c(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000509094452 515020529 /nfs/dbraw/zinc/02/05/29/515020529.db2.gz LKQWAXOJZJZCMO-VLIAUNLRSA-N 1 2 351.381 2.680 20 30 FFEDLO COc1ccc(F)c(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000509094452 515020536 /nfs/dbraw/zinc/02/05/36/515020536.db2.gz LKQWAXOJZJZCMO-VLIAUNLRSA-N 1 2 351.381 2.680 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000504251803 515252046 /nfs/dbraw/zinc/25/20/46/515252046.db2.gz QZDJTNMATKEMFS-MAUKXSAKSA-N 1 2 374.366 2.936 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000504251803 515252058 /nfs/dbraw/zinc/25/20/58/515252058.db2.gz QZDJTNMATKEMFS-MAUKXSAKSA-N 1 2 374.366 2.936 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000454279319 515361525 /nfs/dbraw/zinc/36/15/25/515361525.db2.gz PBGQIWSNYNWGTF-ZIAGYGMSSA-N 1 2 352.504 2.824 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000454279319 515361532 /nfs/dbraw/zinc/36/15/32/515361532.db2.gz PBGQIWSNYNWGTF-ZIAGYGMSSA-N 1 2 352.504 2.824 20 30 FFEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000472746207 515380274 /nfs/dbraw/zinc/38/02/74/515380274.db2.gz FDBDVWIARWNUPS-UHFFFAOYSA-N 1 2 350.466 2.557 20 30 FFEDLO C=C(C)CS(=O)(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000477473024 515470700 /nfs/dbraw/zinc/47/07/00/515470700.db2.gz CPBRGBLPBISOOK-GDBMZVCRSA-N 1 2 362.417 2.735 20 30 FFEDLO C=C(C)CS(=O)(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000477473024 515470711 /nfs/dbraw/zinc/47/07/11/515470711.db2.gz CPBRGBLPBISOOK-GDBMZVCRSA-N 1 2 362.417 2.735 20 30 FFEDLO N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000491857182 515476783 /nfs/dbraw/zinc/47/67/83/515476783.db2.gz QXHVDWRQDADABO-UHFFFAOYSA-N 1 2 361.409 2.669 20 30 FFEDLO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459343921 515486391 /nfs/dbraw/zinc/48/63/91/515486391.db2.gz MCTYZQILEGVZGR-AWEZNQCLSA-N 1 2 358.442 2.841 20 30 FFEDLO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459343921 515486398 /nfs/dbraw/zinc/48/63/98/515486398.db2.gz MCTYZQILEGVZGR-AWEZNQCLSA-N 1 2 358.442 2.841 20 30 FFEDLO CC(C)c1nc(C2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)no1 ZINC000505288470 515496787 /nfs/dbraw/zinc/49/67/87/515496787.db2.gz WQDONUNOTIHGFK-AUUYWEPGSA-N 1 2 361.490 2.815 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)C1=O ZINC000499985841 515548487 /nfs/dbraw/zinc/54/84/87/515548487.db2.gz FVAQYJWDIKRADX-RHSMWYFYSA-N 1 2 363.889 2.578 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)C1=O ZINC000499985841 515548498 /nfs/dbraw/zinc/54/84/98/515548498.db2.gz FVAQYJWDIKRADX-RHSMWYFYSA-N 1 2 363.889 2.578 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000500028108 515564704 /nfs/dbraw/zinc/56/47/04/515564704.db2.gz WRYVEDGJSKAFBU-WFASDCNBSA-N 1 2 369.387 2.751 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000500028108 515564714 /nfs/dbraw/zinc/56/47/14/515564714.db2.gz WRYVEDGJSKAFBU-WFASDCNBSA-N 1 2 369.387 2.751 20 30 FFEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000500299758 515660421 /nfs/dbraw/zinc/66/04/21/515660421.db2.gz BKKOGNQEUDIEAI-UHFFFAOYSA-N 1 2 362.433 2.555 20 30 FFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000482749900 515792706 /nfs/dbraw/zinc/79/27/06/515792706.db2.gz LGQSRGDVMMGTKQ-UHFFFAOYSA-N 1 2 372.469 2.635 20 30 FFEDLO Cc1cc(Cl)ccc1C[NH+]1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000511124711 515794788 /nfs/dbraw/zinc/79/47/88/515794788.db2.gz MFGNSJSLDJAGQW-INIZCTEOSA-N 1 2 362.905 2.527 20 30 FFEDLO Cc1cc(Cl)ccc1CN1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000511124711 515794795 /nfs/dbraw/zinc/79/47/95/515794795.db2.gz MFGNSJSLDJAGQW-INIZCTEOSA-N 1 2 362.905 2.527 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511126422 515795903 /nfs/dbraw/zinc/79/59/03/515795903.db2.gz PXXSKHSRXLCFLE-SFHVURJKSA-N 1 2 353.378 2.855 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511126422 515795909 /nfs/dbraw/zinc/79/59/09/515795909.db2.gz PXXSKHSRXLCFLE-SFHVURJKSA-N 1 2 353.378 2.855 20 30 FFEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Br)cn1 ZINC000482967445 515865756 /nfs/dbraw/zinc/86/57/56/515865756.db2.gz XXBUCNAKCRZDTD-MEBBXXQBSA-N 1 2 359.227 2.593 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000487744969 515962453 /nfs/dbraw/zinc/96/24/53/515962453.db2.gz VMMPNQHNTHXOSV-MSOLQXFVSA-N 1 2 357.498 2.580 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000487744969 515962464 /nfs/dbraw/zinc/96/24/64/515962464.db2.gz VMMPNQHNTHXOSV-MSOLQXFVSA-N 1 2 357.498 2.580 20 30 FFEDLO Cn1cc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1C#N ZINC000483173686 515969046 /nfs/dbraw/zinc/96/90/46/515969046.db2.gz ONOPMOFNGHEYET-UHFFFAOYSA-N 1 2 373.298 2.977 20 30 FFEDLO COc1ccc([C@@H](NC(=O)N(C)CC(C)(C)C#N)c2[nH+]ccn2C)cc1 ZINC000457577627 515987821 /nfs/dbraw/zinc/98/78/21/515987821.db2.gz XTYUTXZHMBMULC-MRXNPFEDSA-N 1 2 355.442 2.709 20 30 FFEDLO CC#CCCNC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000483287968 516017979 /nfs/dbraw/zinc/01/79/79/516017979.db2.gz YVZRFCJLOYXART-NVXWUHKLSA-N 1 2 353.388 2.952 20 30 FFEDLO CC#CCCNC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000483287968 516017985 /nfs/dbraw/zinc/01/79/85/516017985.db2.gz YVZRFCJLOYXART-NVXWUHKLSA-N 1 2 353.388 2.952 20 30 FFEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000455281041 516091687 /nfs/dbraw/zinc/09/16/87/516091687.db2.gz IBGKNYUQAZWYIQ-IHPCNDPISA-N 1 2 370.497 2.750 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507202571 516123983 /nfs/dbraw/zinc/12/39/83/516123983.db2.gz GYZJHXDLHBVTSK-HNNXBMFYSA-N 1 2 352.413 2.847 20 30 FFEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000460361024 516130174 /nfs/dbraw/zinc/13/01/74/516130174.db2.gz GBCQZPAYUCSCOX-UHFFFAOYSA-N 1 2 363.421 2.564 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@H](CO)O1 ZINC000470135864 516136339 /nfs/dbraw/zinc/13/63/39/516136339.db2.gz WIMDTLMLEXAQRY-IIBYNOLFSA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@H](CO)O1 ZINC000470135864 516136348 /nfs/dbraw/zinc/13/63/48/516136348.db2.gz WIMDTLMLEXAQRY-IIBYNOLFSA-N 1 2 352.434 2.719 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000507277943 516150715 /nfs/dbraw/zinc/15/07/15/516150715.db2.gz KGCORQDLDNEZJD-OAQYLSRUSA-N 1 2 374.488 2.874 20 30 FFEDLO Cc1ccc(NC(=O)[C@@H]([NH2+]CC(=O)NCC#N)c2ccccc2)cc1Cl ZINC000507276221 516150822 /nfs/dbraw/zinc/15/08/22/516150822.db2.gz FFGVVYWECHQYMB-SFHVURJKSA-N 1 2 370.840 2.558 20 30 FFEDLO Cc1[nH]c2ccc(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)cc2[nH+]1 ZINC000460461666 516157486 /nfs/dbraw/zinc/15/74/86/516157486.db2.gz SZROYDDTZHUJIU-HXUWFJFHSA-N 1 2 359.389 2.710 20 30 FFEDLO Cc1[nH]c2cc(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)ccc2[nH+]1 ZINC000460461666 516157490 /nfs/dbraw/zinc/15/74/90/516157490.db2.gz SZROYDDTZHUJIU-HXUWFJFHSA-N 1 2 359.389 2.710 20 30 FFEDLO N#CC1(CS(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)CCCCC1 ZINC000460475435 516161014 /nfs/dbraw/zinc/16/10/14/516161014.db2.gz ZMWIYVXCDUDKFQ-UHFFFAOYSA-N 1 2 358.467 2.766 20 30 FFEDLO CCN1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000474748884 516179210 /nfs/dbraw/zinc/17/92/10/516179210.db2.gz LHMSCZKPZPWLLS-ROUUACIJSA-N 1 2 366.469 2.843 20 30 FFEDLO COc1cc(CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)ccc1C#N ZINC000460597884 516199396 /nfs/dbraw/zinc/19/93/96/516199396.db2.gz KGSHRGBDQFYCRO-AWEZNQCLSA-N 1 2 352.438 2.835 20 30 FFEDLO COc1cc(CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)ccc1C#N ZINC000460597884 516199406 /nfs/dbraw/zinc/19/94/06/516199406.db2.gz KGSHRGBDQFYCRO-AWEZNQCLSA-N 1 2 352.438 2.835 20 30 FFEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NCc1[nH+]ccn1Cc1ccccc1 ZINC000460761720 516242032 /nfs/dbraw/zinc/24/20/32/516242032.db2.gz XOHTWEYZYDMOMB-UHFFFAOYSA-N 1 2 369.432 2.726 20 30 FFEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCN(C4CCCCC4)C3=O)CC2)c(F)c1 ZINC000528367716 516383199 /nfs/dbraw/zinc/38/31/99/516383199.db2.gz YBDOPBVUAYRZFN-HXUWFJFHSA-N 1 2 370.472 2.753 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC000528423096 516426473 /nfs/dbraw/zinc/42/64/73/516426473.db2.gz GIHVEFHCZDIHCZ-GDBMZVCRSA-N 1 2 352.381 2.716 20 30 FFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC000528423096 516426476 /nfs/dbraw/zinc/42/64/76/516426476.db2.gz GIHVEFHCZDIHCZ-GDBMZVCRSA-N 1 2 352.381 2.716 20 30 FFEDLO COc1ccc([C@H](NC(=O)N2CCC(CC#N)CC2)c2[nH+]ccn2C)cc1 ZINC000543821497 516446121 /nfs/dbraw/zinc/44/61/21/516446121.db2.gz OPZQTFFKFIVCOW-SFHVURJKSA-N 1 2 367.453 2.853 20 30 FFEDLO C[NH+](C)Cc1nc(C2(NC(=O)c3cccc(C#N)c3)CCCCCC2)no1 ZINC000517897279 516483925 /nfs/dbraw/zinc/48/39/25/516483925.db2.gz CFBWPLRLJXNVMC-UHFFFAOYSA-N 1 2 367.453 2.982 20 30 FFEDLO CC1(C)C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@H]1c1ccncc1 ZINC000528562125 516532527 /nfs/dbraw/zinc/53/25/27/516532527.db2.gz YERAHUZVTYNXQK-LJQANCHMSA-N 1 2 359.429 2.764 20 30 FFEDLO CC1(C)C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@H]1c1ccncc1 ZINC000528562125 516532535 /nfs/dbraw/zinc/53/25/35/516532535.db2.gz YERAHUZVTYNXQK-LJQANCHMSA-N 1 2 359.429 2.764 20 30 FFEDLO C=CC[C@H](CO)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540414433 516543507 /nfs/dbraw/zinc/54/35/07/516543507.db2.gz NFLFUTRXCDARPA-JCURWCKSSA-N 1 2 369.868 2.708 20 30 FFEDLO C=CC[C@H](CO)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540414433 516543521 /nfs/dbraw/zinc/54/35/21/516543521.db2.gz NFLFUTRXCDARPA-JCURWCKSSA-N 1 2 369.868 2.708 20 30 FFEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3ccncc3C#N)CC2)cs1 ZINC000547835688 516591103 /nfs/dbraw/zinc/59/11/03/516591103.db2.gz WOXXLTKEBPGWQV-AWEZNQCLSA-N 1 2 357.483 2.829 20 30 FFEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3ccncc3C#N)CC2)cs1 ZINC000547835688 516591113 /nfs/dbraw/zinc/59/11/13/516591113.db2.gz WOXXLTKEBPGWQV-AWEZNQCLSA-N 1 2 357.483 2.829 20 30 FFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547954861 516656323 /nfs/dbraw/zinc/65/63/23/516656323.db2.gz RWQNOWMFDDPYDT-GOSISDBHSA-N 1 2 351.454 2.937 20 30 FFEDLO CCO[C@H](C)c1noc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)n1 ZINC000528779670 516689640 /nfs/dbraw/zinc/68/96/40/516689640.db2.gz WIUIUCNPNDBHCA-CQSZACIVSA-N 1 2 356.426 2.834 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c(C(F)(F)F)c1 ZINC000528783450 516692651 /nfs/dbraw/zinc/69/26/51/516692651.db2.gz VBRIBDLSVNDBKW-KGLIPLIRSA-N 1 2 358.385 2.729 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c(C(F)(F)F)c1 ZINC000528783450 516692657 /nfs/dbraw/zinc/69/26/57/516692657.db2.gz VBRIBDLSVNDBKW-KGLIPLIRSA-N 1 2 358.385 2.729 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000524453108 516724230 /nfs/dbraw/zinc/72/42/30/516724230.db2.gz LVANDWNEYZHJSL-SFHVURJKSA-N 1 2 366.446 2.668 20 30 FFEDLO N#Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)ccc1Cl ZINC000540849017 516736082 /nfs/dbraw/zinc/73/60/82/516736082.db2.gz NRWHUQQQBPITAH-UHFFFAOYSA-N 1 2 369.852 2.974 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)c2cnccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000514088080 516857447 /nfs/dbraw/zinc/85/74/47/516857447.db2.gz JWPKULWWMOPICB-DLBZAZTESA-N 1 2 358.804 2.921 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)c2cnccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000514088080 516857451 /nfs/dbraw/zinc/85/74/51/516857451.db2.gz JWPKULWWMOPICB-DLBZAZTESA-N 1 2 358.804 2.921 20 30 FFEDLO CC1CC(C#N)(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000532235542 516865594 /nfs/dbraw/zinc/86/55/94/516865594.db2.gz WAPDFWNBUTXSPN-UHFFFAOYSA-N 1 2 360.889 2.518 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(Cl)cc(F)c1Br ZINC000519161802 516906906 /nfs/dbraw/zinc/90/69/06/516906906.db2.gz OKWRZMCVWJKUNI-ZDUSSCGKSA-N 1 2 362.630 2.815 20 30 FFEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000551857450 516910904 /nfs/dbraw/zinc/91/09/04/516910904.db2.gz XILMSCIHQOYLSY-SFHVURJKSA-N 1 2 373.416 2.776 20 30 FFEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3cccc(C#N)n3)CC2)c(C)c1 ZINC000544877484 516970904 /nfs/dbraw/zinc/97/09/04/516970904.db2.gz PXQFIAMBWBVSRO-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1ccccc1Cc1ccccc1 ZINC000558898653 516992780 /nfs/dbraw/zinc/99/27/80/516992780.db2.gz JHAIIZZPIVBILH-NRFANRHFSA-N 1 2 351.450 2.616 20 30 FFEDLO COCc1ccc(NC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)cc1C#N ZINC000529211678 517008828 /nfs/dbraw/zinc/00/88/28/517008828.db2.gz HTQALVIOSGKPHD-AWEZNQCLSA-N 1 2 353.426 2.909 20 30 FFEDLO CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000562361562 517055247 /nfs/dbraw/zinc/05/52/47/517055247.db2.gz KLMGCIUGWVVKAJ-MRXNPFEDSA-N 1 2 363.465 2.665 20 30 FFEDLO C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000562477656 517134553 /nfs/dbraw/zinc/13/45/53/517134553.db2.gz MWBQCYZBXVOSKD-IFXJQAMLSA-N 1 2 360.889 2.659 20 30 FFEDLO C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000562477656 517134563 /nfs/dbraw/zinc/13/45/63/517134563.db2.gz MWBQCYZBXVOSKD-IFXJQAMLSA-N 1 2 360.889 2.659 20 30 FFEDLO Cc1noc([C@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)n1 ZINC000541650761 517158051 /nfs/dbraw/zinc/15/80/51/517158051.db2.gz XISGHTKVEKMMCL-NEPJUHHUSA-N 1 2 359.455 2.919 20 30 FFEDLO C[NH+](C)[C@H](CNS(=O)(=O)CCC(C)(C)C#N)c1ccccc1Cl ZINC000555948878 517202673 /nfs/dbraw/zinc/20/26/73/517202673.db2.gz URRJADQTQIFCMF-OAHLLOKOSA-N 1 2 357.907 2.802 20 30 FFEDLO Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000545506194 517270714 /nfs/dbraw/zinc/27/07/14/517270714.db2.gz PDCAKZREPGNHGV-KRWDZBQOSA-N 1 2 363.465 2.719 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C#N)cn2)[C@H](C)C1 ZINC000548929772 517309208 /nfs/dbraw/zinc/30/92/08/517309208.db2.gz HGDYUOVEAFVYGG-MRXNPFEDSA-N 1 2 364.449 2.698 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C#N)cn2)[C@H](C)C1 ZINC000548929772 517309217 /nfs/dbraw/zinc/30/92/17/517309217.db2.gz HGDYUOVEAFVYGG-MRXNPFEDSA-N 1 2 364.449 2.698 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000559578636 517323668 /nfs/dbraw/zinc/32/36/68/517323668.db2.gz ZGCBSZSYCXAAOL-CYBMUJFWSA-N 1 2 367.521 2.797 20 30 FFEDLO C=CCNC(=O)c1cccc(-c2noc(Cc3cn4ccccc4[nH+]3)n2)c1 ZINC000545656195 517324544 /nfs/dbraw/zinc/32/45/44/517324544.db2.gz HMOBWJRCUGQQRK-UHFFFAOYSA-N 1 2 359.389 2.891 20 30 FFEDLO N#Cc1ccc(CN2CCC[C@@H]2C[NH+]2CCOCC2)c(C(F)(F)F)c1 ZINC000520297024 517335008 /nfs/dbraw/zinc/33/50/08/517335008.db2.gz GQORAFSEMKCPIM-MRXNPFEDSA-N 1 2 353.388 2.874 20 30 FFEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000559703361 517380475 /nfs/dbraw/zinc/38/04/75/517380475.db2.gz AGRRGWWKGQKSDR-XJKSGUPXSA-N 1 2 362.380 2.817 20 30 FFEDLO N#CCc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000542210323 517439308 /nfs/dbraw/zinc/43/93/08/517439308.db2.gz UZZAWSKNJCUDPW-UHFFFAOYSA-N 1 2 364.405 2.619 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545932626 517444001 /nfs/dbraw/zinc/44/40/01/517444001.db2.gz WXKMIRGVKJTFMK-SJKOYZFVSA-N 1 2 369.387 2.911 20 30 FFEDLO CC[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000546076037 517529739 /nfs/dbraw/zinc/52/97/39/517529739.db2.gz XPQFMVIQOKEHAJ-IBGZPJMESA-N 1 2 369.490 2.843 20 30 FFEDLO CC[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000546076037 517529748 /nfs/dbraw/zinc/52/97/48/517529748.db2.gz XPQFMVIQOKEHAJ-IBGZPJMESA-N 1 2 369.490 2.843 20 30 FFEDLO C=C(C)[C@@H](CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1)OCC ZINC000533678189 517567381 /nfs/dbraw/zinc/56/73/81/517567381.db2.gz HJTLYQMEKJLPAO-VQTJNVASSA-N 1 2 360.498 2.856 20 30 FFEDLO CC[C@@H](NCc1nc(C#N)cs1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000516217258 517621424 /nfs/dbraw/zinc/62/14/24/517621424.db2.gz FIWUCNMSNQGQTE-MSOLQXFVSA-N 1 2 356.495 2.784 20 30 FFEDLO CC[C@@H](NCc1nc(C#N)cs1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000516217258 517621428 /nfs/dbraw/zinc/62/14/28/517621428.db2.gz FIWUCNMSNQGQTE-MSOLQXFVSA-N 1 2 356.495 2.784 20 30 FFEDLO COc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1 ZINC000527299750 517624232 /nfs/dbraw/zinc/62/42/32/517624232.db2.gz QCJCZSHILZIBNG-HNNXBMFYSA-N 1 2 369.465 2.541 20 30 FFEDLO C=CCn1c(CC2CCCC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000556919827 517749090 /nfs/dbraw/zinc/74/90/90/517749090.db2.gz PVLNWZNZVBECRK-UHFFFAOYSA-N 1 2 352.486 2.918 20 30 FFEDLO Cc1nn(C)c(N2CCN(c3[nH+]ccc4ccc(F)cc43)CC2)c1C#N ZINC000530412145 517758684 /nfs/dbraw/zinc/75/86/84/517758684.db2.gz RBIABNDPDGLQGI-UHFFFAOYSA-N 1 2 350.401 2.614 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(CC#N)CC3)c[nH+]2)C[C@H](C)O1 ZINC000542852260 517780082 /nfs/dbraw/zinc/78/00/82/517780082.db2.gz WYNIQNIMVJVIGW-IYBDPMFKSA-N 1 2 371.485 2.530 20 30 FFEDLO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000521725014 517839001 /nfs/dbraw/zinc/83/90/01/517839001.db2.gz DGTOXEBJPXYDDB-SFHVURJKSA-N 1 2 360.458 2.755 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543021756 517869029 /nfs/dbraw/zinc/86/90/29/517869029.db2.gz PLDWMWSIHNNWFM-MAUKXSAKSA-N 1 2 374.366 2.936 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543021756 517869039 /nfs/dbraw/zinc/86/90/39/517869039.db2.gz PLDWMWSIHNNWFM-MAUKXSAKSA-N 1 2 374.366 2.936 20 30 FFEDLO C[C@@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]Cc2nc(C#N)cs2)C1=O ZINC000550290860 517975539 /nfs/dbraw/zinc/97/55/39/517975539.db2.gz COPPQVXBRCYOLY-LRDDRELGSA-N 1 2 358.442 2.996 20 30 FFEDLO C=CC[C@@H](CO)CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000539309035 517986342 /nfs/dbraw/zinc/98/63/42/517986342.db2.gz USLQFEJSCXAPHD-IXDOHACOSA-N 1 2 361.486 2.602 20 30 FFEDLO C=CC[C@@H](CO)CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000539309035 517986350 /nfs/dbraw/zinc/98/63/50/517986350.db2.gz USLQFEJSCXAPHD-IXDOHACOSA-N 1 2 361.486 2.602 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000534656552 517986775 /nfs/dbraw/zinc/98/67/75/517986775.db2.gz ZCZSQJQKYDXJNM-QZTJIDSGSA-N 1 2 355.825 2.891 20 30 FFEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000534656552 517986783 /nfs/dbraw/zinc/98/67/83/517986783.db2.gz ZCZSQJQKYDXJNM-QZTJIDSGSA-N 1 2 355.825 2.891 20 30 FFEDLO C=CCN(Cc1ccccc1F)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000539410185 518032815 /nfs/dbraw/zinc/03/28/15/518032815.db2.gz SMHZPTLSERMNTJ-UHFFFAOYSA-N 1 2 369.440 2.881 20 30 FFEDLO CCOC(=O)c1sc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)nc1C ZINC000543544496 518132834 /nfs/dbraw/zinc/13/28/34/518132834.db2.gz FIKKZRJMYPVDMV-LBPRGKRZSA-N 1 2 372.450 2.789 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000543559342 518137754 /nfs/dbraw/zinc/13/77/54/518137754.db2.gz QPZNVQYOGNCEFV-SLYNCCJLSA-N 1 2 357.498 2.763 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000543559342 518137759 /nfs/dbraw/zinc/13/77/59/518137759.db2.gz QPZNVQYOGNCEFV-SLYNCCJLSA-N 1 2 357.498 2.763 20 30 FFEDLO COc1cc2c(cc1C[NH+]1CCN(c3ccc(C#N)cn3)CC1)O[C@@H](C)C2 ZINC000535068866 518143721 /nfs/dbraw/zinc/14/37/21/518143721.db2.gz DDWSEEAKQZQTEC-HNNXBMFYSA-N 1 2 364.449 2.607 20 30 FFEDLO C[C@H](C(=O)N[C@]1(C#N)CCC[C@@H](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000522733774 518156904 /nfs/dbraw/zinc/15/69/04/518156904.db2.gz OAPKYGHYUAPBCI-CBGDNZLLSA-N 1 2 372.488 2.925 20 30 FFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000578546591 518261119 /nfs/dbraw/zinc/26/11/19/518261119.db2.gz IZEVOMFBAJYVGK-SMDDNHRTSA-N 1 2 368.359 2.575 20 30 FFEDLO N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000575753090 518265333 /nfs/dbraw/zinc/26/53/33/518265333.db2.gz UZIPMUYLOGSGRS-MUYFXNHWSA-N 1 2 364.449 2.824 20 30 FFEDLO C=CCn1c(CC)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000581560429 518347316 /nfs/dbraw/zinc/34/73/16/518347316.db2.gz QYXJVTLICLWJDC-OAHLLOKOSA-N 1 2 361.515 2.598 20 30 FFEDLO CCc1ccc([C@@H](C#N)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000564218262 518355592 /nfs/dbraw/zinc/35/55/92/518355592.db2.gz CWEABENFKDMLBF-RTWAWAEBSA-N 1 2 363.461 2.831 20 30 FFEDLO CCc1ccc([C@@H](C#N)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000564218262 518355604 /nfs/dbraw/zinc/35/56/04/518355604.db2.gz CWEABENFKDMLBF-RTWAWAEBSA-N 1 2 363.461 2.831 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(F)c(Br)c(Cl)c1 ZINC000567170557 518387403 /nfs/dbraw/zinc/38/74/03/518387403.db2.gz COJQLQOHOOFEIW-ZDUSSCGKSA-N 1 2 362.630 2.815 20 30 FFEDLO CC(C)(C#N)CCS(=O)(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000564344211 518408585 /nfs/dbraw/zinc/40/85/85/518408585.db2.gz VKFTVYIJULOEAP-UHFFFAOYSA-N 1 2 352.504 2.645 20 30 FFEDLO N#CCCN1CC[NH+]([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000567244058 518427969 /nfs/dbraw/zinc/42/79/69/518427969.db2.gz KGRBPYUBJQECRF-NRFANRHFSA-N 1 2 362.477 2.575 20 30 FFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc4c(cc3Cl)OCCO4)CC2)c1 ZINC000567273681 518442631 /nfs/dbraw/zinc/44/26/31/518442631.db2.gz WAUMTHDXOORVAN-UHFFFAOYSA-N 1 2 370.840 2.700 20 30 FFEDLO C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H]1C ZINC000585675368 518558582 /nfs/dbraw/zinc/55/85/82/518558582.db2.gz ULMYJDMLCQFVRG-LVCYWYKZSA-N 1 2 368.525 2.617 20 30 FFEDLO CCc1cc(N2CCN(c3cnccc3C#N)CC2)nc(-c2ccncc2)[nH+]1 ZINC000567540081 518574688 /nfs/dbraw/zinc/57/46/88/518574688.db2.gz JXJBYCOIVQRKTL-UHFFFAOYSA-N 1 2 371.448 2.694 20 30 FFEDLO N#CCCC1CCN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000579231313 518584672 /nfs/dbraw/zinc/58/46/72/518584672.db2.gz ZLGLPIDUCNTLJP-FQEVSTJZSA-N 1 2 370.497 2.785 20 30 FFEDLO Cc1cc(S(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)ccc1C#N ZINC000579288810 518608355 /nfs/dbraw/zinc/60/83/55/518608355.db2.gz ODMDCSNIBJRPHM-UHFFFAOYSA-N 1 2 366.446 2.590 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000579316966 518620174 /nfs/dbraw/zinc/62/01/74/518620174.db2.gz NIWMHCNMWCUWDV-CABCVRRESA-N 1 2 358.467 2.922 20 30 FFEDLO COc1ccc(C[N@H+](CC(=O)OC(C)(C)C)C2CCOCC2)cc1C#N ZINC000582304597 518688698 /nfs/dbraw/zinc/68/86/98/518688698.db2.gz VIGRWVCUVYAFJU-UHFFFAOYSA-N 1 2 360.454 2.890 20 30 FFEDLO COc1ccc(C[N@@H+](CC(=O)OC(C)(C)C)C2CCOCC2)cc1C#N ZINC000582304597 518688705 /nfs/dbraw/zinc/68/87/05/518688705.db2.gz VIGRWVCUVYAFJU-UHFFFAOYSA-N 1 2 360.454 2.890 20 30 FFEDLO Cc1nsc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)c1C#N ZINC000587977114 518689863 /nfs/dbraw/zinc/68/98/63/518689863.db2.gz CFIRECFLHADIOH-MRXNPFEDSA-N 1 2 362.886 2.832 20 30 FFEDLO CC[NH+]1CCN(C(=O)[C@@H](C)SCCCOc2cccc(C#N)c2)CC1 ZINC000582323724 518697317 /nfs/dbraw/zinc/69/73/17/518697317.db2.gz LWSDDORZQZLJTB-MRXNPFEDSA-N 1 2 361.511 2.613 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000573603778 518747419 /nfs/dbraw/zinc/74/74/19/518747419.db2.gz QFMJMWJZHPPWES-SJCJKPOMSA-N 1 2 365.886 2.747 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000573603778 518747424 /nfs/dbraw/zinc/74/74/24/518747424.db2.gz QFMJMWJZHPPWES-SJCJKPOMSA-N 1 2 365.886 2.747 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](CC(=O)NCC#Cc1cccc(F)c1)C(F)(F)F ZINC000576837242 518788538 /nfs/dbraw/zinc/78/85/38/518788538.db2.gz NPDHVIAWHFJEQA-CQSZACIVSA-N 1 2 353.319 2.763 20 30 FFEDLO Cc1[nH][nH]c(=NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)c1C#N ZINC000588718067 518814728 /nfs/dbraw/zinc/81/47/28/518814728.db2.gz RCUOSRUITGBSFD-CQSZACIVSA-N 1 2 367.453 2.517 20 30 FFEDLO Cc1[nH][nH]c(=NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)c1C#N ZINC000588718067 518814734 /nfs/dbraw/zinc/81/47/34/518814734.db2.gz RCUOSRUITGBSFD-CQSZACIVSA-N 1 2 367.453 2.517 20 30 FFEDLO Cc1nn(-c2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc2)c(C)c1Cl ZINC000567995247 518822336 /nfs/dbraw/zinc/82/23/36/518822336.db2.gz FXCBIVQUZCJOCT-GOSISDBHSA-N 1 2 359.861 2.716 20 30 FFEDLO COc1cc(CNC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)ccc1C#N ZINC000565196739 518839036 /nfs/dbraw/zinc/83/90/36/518839036.db2.gz QVSIYZPAKGNEED-ZDUSSCGKSA-N 1 2 366.343 2.653 20 30 FFEDLO C=CCNC(=O)c1ccc(NC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cc1 ZINC000579817289 518869015 /nfs/dbraw/zinc/86/90/15/518869015.db2.gz ULKAIBCYXYLYLA-INIZCTEOSA-N 1 2 353.426 2.609 20 30 FFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000565370697 518921953 /nfs/dbraw/zinc/92/19/53/518921953.db2.gz KBOBMFKSHVBHDH-OXJNMPFZSA-N 1 2 359.470 2.943 20 30 FFEDLO Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000571106359 518928991 /nfs/dbraw/zinc/92/89/91/518928991.db2.gz GNKPYGULUUQOKE-KBPBESRZSA-N 1 2 359.857 2.944 20 30 FFEDLO C=CCCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000579995677 518955566 /nfs/dbraw/zinc/95/55/66/518955566.db2.gz XCZVRSCMAHSAIR-DLBZAZTESA-N 1 2 363.889 2.674 20 30 FFEDLO C=CCCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000579995677 518955573 /nfs/dbraw/zinc/95/55/73/518955573.db2.gz XCZVRSCMAHSAIR-DLBZAZTESA-N 1 2 363.889 2.674 20 30 FFEDLO N#CC1(CS(=O)(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CCC1 ZINC000589223169 518956759 /nfs/dbraw/zinc/95/67/59/518956759.db2.gz YPYSVHVHHMNHLT-UHFFFAOYSA-N 1 2 362.499 2.575 20 30 FFEDLO COc1cc(OC)cc(N2CCC[N@H+](Cc3nc(C#N)cs3)CC2)c1 ZINC000582876993 518963573 /nfs/dbraw/zinc/96/35/73/518963573.db2.gz FRVZGNPOIGCZRO-UHFFFAOYSA-N 1 2 358.467 2.744 20 30 FFEDLO COc1cc(OC)cc(N2CCC[N@@H+](Cc3nc(C#N)cs3)CC2)c1 ZINC000582876993 518963577 /nfs/dbraw/zinc/96/35/77/518963577.db2.gz FRVZGNPOIGCZRO-UHFFFAOYSA-N 1 2 358.467 2.744 20 30 FFEDLO N#Cc1ccc(Oc2ccc(NC(=O)N3CCn4c[nH+]cc4C3)cn2)cc1 ZINC000589321892 518981563 /nfs/dbraw/zinc/98/15/63/518981563.db2.gz KTSVFUPVZZCQGJ-UHFFFAOYSA-N 1 2 360.377 2.990 20 30 FFEDLO C=CC[C@H]1N(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CCCC1(C)C ZINC000582918712 518986764 /nfs/dbraw/zinc/98/67/64/518986764.db2.gz GRRNVJRZRNVTNE-QGZVFWFLSA-N 1 2 368.481 2.586 20 30 FFEDLO Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1NC(=O)c1ccccc1 ZINC000589826986 519085594 /nfs/dbraw/zinc/08/55/94/519085594.db2.gz UZRRFGKZVSBVMT-NRFANRHFSA-N 1 2 364.449 2.821 20 30 FFEDLO C[C@H](Nc1cc(Br)c(C#N)cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000577509314 519118316 /nfs/dbraw/zinc/11/83/16/519118316.db2.gz CZKYGVZTTRESRO-QWRGUYRKSA-N 1 2 356.239 2.981 20 30 FFEDLO CCCc1nc(C)c(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)o1 ZINC000589984896 519119722 /nfs/dbraw/zinc/11/97/22/519119722.db2.gz CAYDPQOMLBXTNS-UHFFFAOYSA-N 1 2 355.442 2.995 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Br)c(Cl)c1F ZINC000574457821 519165103 /nfs/dbraw/zinc/16/51/03/519165103.db2.gz VAOTVADPUKUJBT-ZDUSSCGKSA-N 1 2 362.630 2.815 20 30 FFEDLO COc1cc(C[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)ccc1C#N ZINC000568691611 519166314 /nfs/dbraw/zinc/16/63/14/519166314.db2.gz MSCRZTJJCQXYEO-LJQANCHMSA-N 1 2 353.397 2.815 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000577826104 519272876 /nfs/dbraw/zinc/27/28/76/519272876.db2.gz NUZDRCMWRNJSQQ-UXHICEINSA-N 1 2 355.482 2.895 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000577826104 519272880 /nfs/dbraw/zinc/27/28/80/519272880.db2.gz NUZDRCMWRNJSQQ-UXHICEINSA-N 1 2 355.482 2.895 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000577826105 519273570 /nfs/dbraw/zinc/27/35/70/519273570.db2.gz NUZDRCMWRNJSQQ-VQTJNVASSA-N 1 2 355.482 2.895 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000577826105 519273575 /nfs/dbraw/zinc/27/35/75/519273575.db2.gz NUZDRCMWRNJSQQ-VQTJNVASSA-N 1 2 355.482 2.895 20 30 FFEDLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000568915891 519280645 /nfs/dbraw/zinc/28/06/45/519280645.db2.gz FOHZBBXEFCNFFD-QGZVFWFLSA-N 1 2 373.497 2.937 20 30 FFEDLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000568915891 519280654 /nfs/dbraw/zinc/28/06/54/519280654.db2.gz FOHZBBXEFCNFFD-QGZVFWFLSA-N 1 2 373.497 2.937 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000577846778 519287853 /nfs/dbraw/zinc/28/78/53/519287853.db2.gz ZTQHSKDDIDYKIZ-IRXDYDNUSA-N 1 2 371.481 2.974 20 30 FFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000577846778 519287859 /nfs/dbraw/zinc/28/78/59/519287859.db2.gz ZTQHSKDDIDYKIZ-IRXDYDNUSA-N 1 2 371.481 2.974 20 30 FFEDLO C[C@H](C(=O)NCCc1ccccc1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000580963794 519451711 /nfs/dbraw/zinc/45/17/11/519451711.db2.gz AQKHUIWVQMJILT-GOSISDBHSA-N 1 2 362.477 2.686 20 30 FFEDLO COc1cc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)ccc1OC(F)F ZINC000591020160 519479538 /nfs/dbraw/zinc/47/95/38/519479538.db2.gz LBWHVDOMIIFIKI-HNNXBMFYSA-N 1 2 353.413 2.962 20 30 FFEDLO COC(=O)[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)C(C)(C)C ZINC000591018979 519479744 /nfs/dbraw/zinc/47/97/44/519479744.db2.gz ANWCJAQVCAYVTP-OAHLLOKOSA-N 1 2 363.483 2.614 20 30 FFEDLO C[NH+](C)[C@@H](CNS(=O)(=O)CC1(CC#N)CC1)c1ccccc1Cl ZINC000578280536 519509702 /nfs/dbraw/zinc/50/97/02/519509702.db2.gz GUCOPTWXMNSZDJ-HNNXBMFYSA-N 1 2 355.891 2.556 20 30 FFEDLO N#Cc1ccncc1N1CC[NH+](Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000583971441 519524272 /nfs/dbraw/zinc/52/42/72/519524272.db2.gz QTDSMEXAEWUMSL-UHFFFAOYSA-N 1 2 362.355 3.000 20 30 FFEDLO N#Cc1cnc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)c(F)c1 ZINC000591147610 519529286 /nfs/dbraw/zinc/52/92/86/519529286.db2.gz ZIAZYNLZSNGGRU-QGZVFWFLSA-N 1 2 360.820 2.601 20 30 FFEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000591486506 519929431 /nfs/dbraw/zinc/92/94/31/519929431.db2.gz FVUKFFNMCIEYRG-SFHVURJKSA-N 1 2 363.461 2.929 20 30 FFEDLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000591486506 519929437 /nfs/dbraw/zinc/92/94/37/519929437.db2.gz FVUKFFNMCIEYRG-SFHVURJKSA-N 1 2 363.461 2.929 20 30 FFEDLO COc1ccc(-c2noc([C@@H](C)[N@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)n2)cc1 ZINC000602866198 519935252 /nfs/dbraw/zinc/93/52/52/519935252.db2.gz VCAUDMITRIFYOI-QLFBSQMISA-N 1 2 355.442 2.724 20 30 FFEDLO COc1ccc(-c2noc([C@@H](C)[N@@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)n2)cc1 ZINC000602866198 519935262 /nfs/dbraw/zinc/93/52/62/519935262.db2.gz VCAUDMITRIFYOI-QLFBSQMISA-N 1 2 355.442 2.724 20 30 FFEDLO CC(C)c1n[nH]c(CC2CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000602864002 519936169 /nfs/dbraw/zinc/93/61/69/519936169.db2.gz LYEHAYPHWWYUTA-UHFFFAOYSA-N 1 2 366.469 2.693 20 30 FFEDLO CC(C)c1nnc(CC2CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)[nH]1 ZINC000602864002 519936179 /nfs/dbraw/zinc/93/61/79/519936179.db2.gz LYEHAYPHWWYUTA-UHFFFAOYSA-N 1 2 366.469 2.693 20 30 FFEDLO CC(C)c1nc(CC2CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)n[nH]1 ZINC000602864002 519936190 /nfs/dbraw/zinc/93/61/90/519936190.db2.gz LYEHAYPHWWYUTA-UHFFFAOYSA-N 1 2 366.469 2.693 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC=C(c3cnn(C)c3)C2)c(C#N)c1C ZINC000602890036 519953807 /nfs/dbraw/zinc/95/38/07/519953807.db2.gz YILAXDBGBDZNBL-ZDUSSCGKSA-N 1 2 353.426 2.618 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC=C(c3cnn(C)c3)C2)c(C#N)c1C ZINC000602890036 519953820 /nfs/dbraw/zinc/95/38/20/519953820.db2.gz YILAXDBGBDZNBL-ZDUSSCGKSA-N 1 2 353.426 2.618 20 30 FFEDLO Cc1n[nH]cc1C[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000602945214 519985369 /nfs/dbraw/zinc/98/53/69/519985369.db2.gz YUROHDDJIJZLGU-UHFFFAOYSA-N 1 2 357.483 2.991 20 30 FFEDLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000602945214 519985376 /nfs/dbraw/zinc/98/53/76/519985376.db2.gz YUROHDDJIJZLGU-UHFFFAOYSA-N 1 2 357.483 2.991 20 30 FFEDLO Cc1cc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)ncc1C#N ZINC000603112284 520086239 /nfs/dbraw/zinc/08/62/39/520086239.db2.gz KFBNRYVGXQIVDI-UHFFFAOYSA-N 1 2 352.442 2.604 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[NH2+]CC(F)(F)c2cccc(F)c2)cc1 ZINC000594718333 520110765 /nfs/dbraw/zinc/11/07/65/520110765.db2.gz OSICJKCDRXZEND-INIZCTEOSA-N 1 2 350.340 2.819 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000608779920 520126189 /nfs/dbraw/zinc/12/61/89/520126189.db2.gz PWNKYCUNXNSZEY-UHFFFAOYSA-N 1 2 360.461 2.660 20 30 FFEDLO N#CC1(CC(=O)N(CC[NH+]2CCOCC2)[C@H]2CCSC2)CCCCC1 ZINC000597680139 520171939 /nfs/dbraw/zinc/17/19/39/520171939.db2.gz WCYXMXVBXILPBN-KRWDZBQOSA-N 1 2 365.543 2.517 20 30 FFEDLO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccncc1C#N ZINC000592108318 520188410 /nfs/dbraw/zinc/18/84/10/520188410.db2.gz VBTAAHSIDDSWKL-HNNXBMFYSA-N 1 2 370.478 2.686 20 30 FFEDLO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccncc1C#N ZINC000592108318 520188418 /nfs/dbraw/zinc/18/84/18/520188418.db2.gz VBTAAHSIDDSWKL-HNNXBMFYSA-N 1 2 370.478 2.686 20 30 FFEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000592149751 520226051 /nfs/dbraw/zinc/22/60/51/520226051.db2.gz WAEGJECZDURAOB-NRFANRHFSA-N 1 2 365.433 2.555 20 30 FFEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000592149751 520226058 /nfs/dbraw/zinc/22/60/58/520226058.db2.gz WAEGJECZDURAOB-NRFANRHFSA-N 1 2 365.433 2.555 20 30 FFEDLO C[C@@H](NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccc(Cl)cc1Cl ZINC000592149880 520226213 /nfs/dbraw/zinc/22/62/13/520226213.db2.gz YUXZMRSPHWFQAN-BZNIZROVSA-N 1 2 356.253 2.521 20 30 FFEDLO C[C@@H](NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccc(Cl)cc1Cl ZINC000592149880 520226218 /nfs/dbraw/zinc/22/62/18/520226218.db2.gz YUXZMRSPHWFQAN-BZNIZROVSA-N 1 2 356.253 2.521 20 30 FFEDLO N#Cc1cc(N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)nc(C2CC2)n1 ZINC000603421179 520259170 /nfs/dbraw/zinc/25/91/70/520259170.db2.gz YJGUCOVFTZCKRT-UHFFFAOYSA-N 1 2 374.370 2.966 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000609484594 520327802 /nfs/dbraw/zinc/32/78/02/520327802.db2.gz CBXANQSMBCCFCZ-FXAWDEMLSA-N 1 2 354.498 2.520 20 30 FFEDLO CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609485653 520328715 /nfs/dbraw/zinc/32/87/15/520328715.db2.gz UQFXTUKLCOTZHD-UXHICEINSA-N 1 2 356.514 2.762 20 30 FFEDLO COc1ccc(C#N)cc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000609520723 520340597 /nfs/dbraw/zinc/34/05/97/520340597.db2.gz ZOHZVBJFIXLBBI-UHFFFAOYSA-N 1 2 351.406 2.651 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597942377 520342653 /nfs/dbraw/zinc/34/26/53/520342653.db2.gz WPUUMUPFJPZKJA-OAHLLOKOSA-N 1 2 350.422 2.637 20 30 FFEDLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609539318 520348970 /nfs/dbraw/zinc/34/89/70/520348970.db2.gz XNFVSYALIMWMJZ-NLWGTHIKSA-N 1 2 356.514 2.727 20 30 FFEDLO N#Cc1ccc(NCC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000600679596 520394000 /nfs/dbraw/zinc/39/40/00/520394000.db2.gz ZFMFZPFVZHQCDP-UHFFFAOYSA-N 1 2 373.460 2.796 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000609672544 520400913 /nfs/dbraw/zinc/40/09/13/520400913.db2.gz MIOAXTZQUMEVBH-LJQANCHMSA-N 1 2 351.475 2.965 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000609672544 520400921 /nfs/dbraw/zinc/40/09/21/520400921.db2.gz MIOAXTZQUMEVBH-LJQANCHMSA-N 1 2 351.475 2.965 20 30 FFEDLO Cc1nn(C)c(N2CC[NH+](Cc3nsc4ccccc43)CC2)c1C#N ZINC000595455691 520480927 /nfs/dbraw/zinc/48/09/27/520480927.db2.gz CMMGSCRQNWALIV-UHFFFAOYSA-N 1 2 352.467 2.532 20 30 FFEDLO COc1cccc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)c1Cl ZINC000595456187 520482877 /nfs/dbraw/zinc/48/28/77/520482877.db2.gz CRNUXFDVZSDMTL-UHFFFAOYSA-N 1 2 359.861 2.584 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604276920 520505339 /nfs/dbraw/zinc/50/53/39/520505339.db2.gz YMLZTPSIXZEQEC-PHIMTYICSA-N 1 2 359.314 2.811 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604276920 520505345 /nfs/dbraw/zinc/50/53/45/520505345.db2.gz YMLZTPSIXZEQEC-PHIMTYICSA-N 1 2 359.314 2.811 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000595507037 520517004 /nfs/dbraw/zinc/51/70/04/520517004.db2.gz QWYQEOCKKSRLSL-LJQANCHMSA-N 1 2 364.440 2.531 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000595507037 520517011 /nfs/dbraw/zinc/51/70/11/520517011.db2.gz QWYQEOCKKSRLSL-LJQANCHMSA-N 1 2 364.440 2.531 20 30 FFEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](C(F)(F)F)C2)cc1Cl ZINC000610079148 520530973 /nfs/dbraw/zinc/53/09/73/520530973.db2.gz IXXKJCOYJAPSGF-ZDUSSCGKSA-N 1 2 361.751 2.803 20 30 FFEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](C(F)(F)F)C2)cc1Cl ZINC000610079148 520530980 /nfs/dbraw/zinc/53/09/80/520530980.db2.gz IXXKJCOYJAPSGF-ZDUSSCGKSA-N 1 2 361.751 2.803 20 30 FFEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)C2(C#N)CC3(CC3)C2)CC1 ZINC000600961102 520559220 /nfs/dbraw/zinc/55/92/20/520559220.db2.gz LURKRFHDWHLFQR-UHFFFAOYSA-N 1 2 353.466 2.732 20 30 FFEDLO N#CC[C@H]1CCC[N@@H+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1 ZINC000595611822 520591628 /nfs/dbraw/zinc/59/16/28/520591628.db2.gz NRPJTTBGMCWNNR-GFCCVEGCSA-N 1 2 350.348 2.807 20 30 FFEDLO N#CC[C@H]1CCC[N@H+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1 ZINC000595611822 520591640 /nfs/dbraw/zinc/59/16/40/520591640.db2.gz NRPJTTBGMCWNNR-GFCCVEGCSA-N 1 2 350.348 2.807 20 30 FFEDLO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595615295 520595323 /nfs/dbraw/zinc/59/53/23/520595323.db2.gz LWGBRLRIGRMEEC-INIZCTEOSA-N 1 2 356.470 2.733 20 30 FFEDLO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595615295 520595330 /nfs/dbraw/zinc/59/53/30/520595330.db2.gz LWGBRLRIGRMEEC-INIZCTEOSA-N 1 2 356.470 2.733 20 30 FFEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595631566 520608319 /nfs/dbraw/zinc/60/83/19/520608319.db2.gz DRLQLHVNJGHTOA-PCKAHOCUSA-N 1 2 360.527 2.825 20 30 FFEDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633638 520611010 /nfs/dbraw/zinc/61/10/10/520611010.db2.gz RCCLFBHYRYRUAB-JKSUJKDBSA-N 1 2 360.527 2.921 20 30 FFEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000595657710 520628758 /nfs/dbraw/zinc/62/87/58/520628758.db2.gz AURNOYBEYUPOSW-UHFFFAOYSA-N 1 2 369.296 2.878 20 30 FFEDLO Cc1nc(C[N@@H+]2CCCN(c3cc(C#N)nc(C4CC4)n3)CC2)cs1 ZINC000601113248 520642009 /nfs/dbraw/zinc/64/20/09/520642009.db2.gz GOKWCTSCCCUZSB-UHFFFAOYSA-N 1 2 354.483 2.703 20 30 FFEDLO Cc1nc(C[N@H+]2CCCN(c3cc(C#N)nc(C4CC4)n3)CC2)cs1 ZINC000601113248 520642012 /nfs/dbraw/zinc/64/20/12/520642012.db2.gz GOKWCTSCCCUZSB-UHFFFAOYSA-N 1 2 354.483 2.703 20 30 FFEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)[C@H]2CCCC[C@H]12 ZINC000595741248 520690010 /nfs/dbraw/zinc/69/00/10/520690010.db2.gz YFTVVYUFIPNSRK-INMHGKMJSA-N 1 2 373.453 2.760 20 30 FFEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)[C@H]2CCCC[C@H]12 ZINC000595741248 520690019 /nfs/dbraw/zinc/69/00/19/520690019.db2.gz YFTVVYUFIPNSRK-INMHGKMJSA-N 1 2 373.453 2.760 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000610580922 520748642 /nfs/dbraw/zinc/74/86/42/520748642.db2.gz BEMQPADNXOMECR-PKOBYXMFSA-N 1 2 350.422 2.750 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000610580922 520748646 /nfs/dbraw/zinc/74/86/46/520748646.db2.gz BEMQPADNXOMECR-PKOBYXMFSA-N 1 2 350.422 2.750 20 30 FFEDLO C[C@]1(C#N)CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C1 ZINC000595836539 520757910 /nfs/dbraw/zinc/75/79/10/520757910.db2.gz ZMBCNBZNVVOBSD-LAUBAEHRSA-N 1 2 369.465 2.747 20 30 FFEDLO C[C@]1(C#N)CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C1 ZINC000595836539 520757915 /nfs/dbraw/zinc/75/79/15/520757915.db2.gz ZMBCNBZNVVOBSD-LAUBAEHRSA-N 1 2 369.465 2.747 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@]1(C)CO ZINC000595869421 520779411 /nfs/dbraw/zinc/77/94/11/520779411.db2.gz CXKQCUGYRWNMPU-YJYMSZOUSA-N 1 2 361.511 2.777 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@]1(C)CO ZINC000595869421 520779418 /nfs/dbraw/zinc/77/94/18/520779418.db2.gz CXKQCUGYRWNMPU-YJYMSZOUSA-N 1 2 361.511 2.777 20 30 FFEDLO N#CCCN(C(=O)C[NH2+][C@H](CO)c1ccc(F)cc1F)c1ccccc1 ZINC000595868780 520779439 /nfs/dbraw/zinc/77/94/39/520779439.db2.gz ZHISIYHMMWLAHY-GOSISDBHSA-N 1 2 359.376 2.535 20 30 FFEDLO N#CCCn1ncc2c1nc[nH+]c2NC1CCN(c2cccs2)CC1 ZINC000610678776 520793575 /nfs/dbraw/zinc/79/35/75/520793575.db2.gz KDOGYIZEPWLSKC-UHFFFAOYSA-N 1 2 353.455 2.882 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)cc1F ZINC000610916846 520903606 /nfs/dbraw/zinc/90/36/06/520903606.db2.gz JPEVJJWPUPBHQF-UHFFFAOYSA-N 1 2 370.384 2.936 20 30 FFEDLO N#CC1(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000596091006 520905882 /nfs/dbraw/zinc/90/58/82/520905882.db2.gz ZXJIGXINVZRYOQ-IBGZPJMESA-N 1 2 370.497 2.661 20 30 FFEDLO N#CC1(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000596091006 520905888 /nfs/dbraw/zinc/90/58/88/520905888.db2.gz ZXJIGXINVZRYOQ-IBGZPJMESA-N 1 2 370.497 2.661 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCCOC[C@H]2C)c1C#N ZINC000610990737 520933097 /nfs/dbraw/zinc/93/30/97/520933097.db2.gz KXKBYFZLQPXWAO-CQSZACIVSA-N 1 2 370.453 2.667 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCCOC[C@H]2C)c1C#N ZINC000610990737 520933105 /nfs/dbraw/zinc/93/31/05/520933105.db2.gz KXKBYFZLQPXWAO-CQSZACIVSA-N 1 2 370.453 2.667 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)ccn1 ZINC000610994399 520936466 /nfs/dbraw/zinc/93/64/66/520936466.db2.gz BTKRXIHOCBDQOL-LJQANCHMSA-N 1 2 362.433 2.881 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)ccn1 ZINC000610994399 520936473 /nfs/dbraw/zinc/93/64/73/520936473.db2.gz BTKRXIHOCBDQOL-LJQANCHMSA-N 1 2 362.433 2.881 20 30 FFEDLO Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H](CC#N)C2)[NH+]2CCOCC2)cc1 ZINC000596179633 520956071 /nfs/dbraw/zinc/95/60/71/520956071.db2.gz QCTQNSVOZIIMNN-AZUAARDMSA-N 1 2 370.497 2.704 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1coc2ccc(Cl)cc21 ZINC000593444744 520995816 /nfs/dbraw/zinc/99/58/16/520995816.db2.gz YIKRCIMXVKIWIH-UHFFFAOYSA-N 1 2 361.829 2.774 20 30 FFEDLO N#C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1Br ZINC000593467801 521013314 /nfs/dbraw/zinc/01/33/14/521013314.db2.gz CZPANODLHMRYFI-OAHLLOKOSA-N 1 2 373.254 2.905 20 30 FFEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000593542665 521064807 /nfs/dbraw/zinc/06/48/07/521064807.db2.gz KGQRXJRPSJSBMT-INIZCTEOSA-N 1 2 358.467 2.710 20 30 FFEDLO N#Cc1cc2c(nc1N1CC[NH+](Cc3cc4ccccc4[nH]3)CC1)CCOC2 ZINC000599180210 521074174 /nfs/dbraw/zinc/07/41/74/521074174.db2.gz WEXSGXRYIMONDT-UHFFFAOYSA-N 1 2 373.460 2.829 20 30 FFEDLO Cc1cc(N(C)CC2=CCCOC2)c(C#N)c(N(C)CC2=CCCOC2)[nH+]1 ZINC000596466140 521086542 /nfs/dbraw/zinc/08/65/42/521086542.db2.gz RULMHUDEKJLOAT-UHFFFAOYSA-N 1 2 368.481 2.828 20 30 FFEDLO COc1cccc(CC(=O)N2CC[NH+](Cc3ccc(C)c(C#N)c3)CC2)c1 ZINC000599273513 521123297 /nfs/dbraw/zinc/12/32/97/521123297.db2.gz QMTPKUDSJXQYGJ-UHFFFAOYSA-N 1 2 363.461 2.762 20 30 FFEDLO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@H](O)CC(=O)OCC ZINC000599278232 521125883 /nfs/dbraw/zinc/12/58/83/521125883.db2.gz ZJGZTCQGKDZAIH-CQSZACIVSA-N 1 2 374.250 2.890 20 30 FFEDLO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)CC(=O)OCC ZINC000599278232 521125889 /nfs/dbraw/zinc/12/58/89/521125889.db2.gz ZJGZTCQGKDZAIH-CQSZACIVSA-N 1 2 374.250 2.890 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N(CCC#N)Cc2ccccn2)cc1 ZINC000602092210 521135641 /nfs/dbraw/zinc/13/56/41/521135641.db2.gz UNBUHIJIKZVHOE-FQEVSTJZSA-N 1 2 364.449 2.607 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N(CCC#N)Cc2ccccn2)cc1 ZINC000602092210 521135646 /nfs/dbraw/zinc/13/56/46/521135646.db2.gz UNBUHIJIKZVHOE-FQEVSTJZSA-N 1 2 364.449 2.607 20 30 FFEDLO CC(C)C[C@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)n1cc[nH+]c1 ZINC000602095637 521138108 /nfs/dbraw/zinc/13/81/08/521138108.db2.gz LCQYMEYQNIZCQR-GOSISDBHSA-N 1 2 366.469 2.522 20 30 FFEDLO Cc1cn2ccc(C(=O)NC3(c4ccc(C#N)cc4)CCOCC3)cc2[nH+]1 ZINC000602192174 521201115 /nfs/dbraw/zinc/20/11/15/521201115.db2.gz XAKIGZSMOMKVJL-UHFFFAOYSA-N 1 2 360.417 2.950 20 30 FFEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000611526377 521204128 /nfs/dbraw/zinc/20/41/28/521204128.db2.gz KMCUTKPGFLFZRW-UHFFFAOYSA-N 1 2 350.378 2.834 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000614963366 521213679 /nfs/dbraw/zinc/21/36/79/521213679.db2.gz AUDSSNDXBNSEBG-OAHLLOKOSA-N 1 2 355.463 2.901 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000614963366 521213684 /nfs/dbraw/zinc/21/36/84/521213684.db2.gz AUDSSNDXBNSEBG-OAHLLOKOSA-N 1 2 355.463 2.901 20 30 FFEDLO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611550494 521214407 /nfs/dbraw/zinc/21/44/07/521214407.db2.gz FSGGHEMVDKPMIA-WOJBJXKFSA-N 1 2 372.488 2.799 20 30 FFEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551861 521216101 /nfs/dbraw/zinc/21/61/01/521216101.db2.gz VZLFKRKUIUVWLV-FUHIMQAGSA-N 1 2 372.488 2.797 20 30 FFEDLO Cc1cc(N(CCC#N)C(=O)CN2CCc3[nH+]c[nH]c3C2)ccc1Cl ZINC000599429128 521217523 /nfs/dbraw/zinc/21/75/23/521217523.db2.gz GUYSWSGFVBFFAX-UHFFFAOYSA-N 1 2 357.845 2.677 20 30 FFEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000618798502 521243260 /nfs/dbraw/zinc/24/32/60/521243260.db2.gz GXRKGCQBHRVGMJ-IBGZPJMESA-N 1 2 361.449 2.909 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC000602335096 521287364 /nfs/dbraw/zinc/28/73/64/521287364.db2.gz UQMQTMRGMLFNQU-PVAVHDDUSA-N 1 2 364.287 2.687 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)nn1 ZINC000593987169 521331922 /nfs/dbraw/zinc/33/19/22/521331922.db2.gz NSOGNHHGSSYHFE-UHFFFAOYSA-N 1 2 355.417 2.908 20 30 FFEDLO Cc1cnc(OC2CC[NH+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)nc1 ZINC000594021018 521354227 /nfs/dbraw/zinc/35/42/27/521354227.db2.gz NJVXGTLEKUXGTA-UHFFFAOYSA-N 1 2 353.382 2.608 20 30 FFEDLO CCOC(=O)c1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)on1 ZINC000602465567 521360844 /nfs/dbraw/zinc/36/08/44/521360844.db2.gz PDKLOYDKWQXSGG-UHFFFAOYSA-N 1 2 355.394 2.766 20 30 FFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(S(N)(=O)=O)cc1F ZINC000602486573 521372333 /nfs/dbraw/zinc/37/23/33/521372333.db2.gz UWMHZHUWVRXDLW-HKUYNNGSSA-N 1 2 373.453 2.745 20 30 FFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(S(N)(=O)=O)cc1F ZINC000602486573 521372341 /nfs/dbraw/zinc/37/23/41/521372341.db2.gz UWMHZHUWVRXDLW-HKUYNNGSSA-N 1 2 373.453 2.745 20 30 FFEDLO Cn1nc(C(C)(C)C)cc1NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676778 521393028 /nfs/dbraw/zinc/39/30/28/521393028.db2.gz GBRSDOFJBJMCTB-UHFFFAOYSA-N 1 2 365.481 2.780 20 30 FFEDLO Cn1nc(C(C)(C)C)cc1NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676778 521393039 /nfs/dbraw/zinc/39/30/39/521393039.db2.gz GBRSDOFJBJMCTB-UHFFFAOYSA-N 1 2 365.481 2.780 20 30 FFEDLO C[C@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678733 521393616 /nfs/dbraw/zinc/39/36/16/521393616.db2.gz LXKLBCKVTYXVMH-UWJYYQICSA-N 1 2 369.509 2.822 20 30 FFEDLO C[C@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678733 521393625 /nfs/dbraw/zinc/39/36/25/521393625.db2.gz LXKLBCKVTYXVMH-UWJYYQICSA-N 1 2 369.509 2.822 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685231 521401114 /nfs/dbraw/zinc/40/11/14/521401114.db2.gz AXHNTFOJJIIEEC-MRXNPFEDSA-N 1 2 350.466 2.842 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685231 521401119 /nfs/dbraw/zinc/40/11/19/521401119.db2.gz AXHNTFOJJIIEEC-MRXNPFEDSA-N 1 2 350.466 2.842 20 30 FFEDLO N#CCCCOc1cccnc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000615560282 521450037 /nfs/dbraw/zinc/45/00/37/521450037.db2.gz MKDFPFXMSWOMEV-HNNXBMFYSA-N 1 2 354.414 2.830 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(OC2CC2)c1F ZINC000597026489 521455069 /nfs/dbraw/zinc/45/50/69/521455069.db2.gz IWDVMLBTYMXZAW-AWEZNQCLSA-N 1 2 367.428 2.739 20 30 FFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(OC2CC2)c1F ZINC000597026489 521455078 /nfs/dbraw/zinc/45/50/78/521455078.db2.gz IWDVMLBTYMXZAW-AWEZNQCLSA-N 1 2 367.428 2.739 20 30 FFEDLO C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000612271276 521553996 /nfs/dbraw/zinc/55/39/96/521553996.db2.gz LOTAFDRVBJLRAE-FQEVSTJZSA-N 1 2 364.405 2.965 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccccn3)CC2)c(F)c1 ZINC000602826567 521554509 /nfs/dbraw/zinc/55/45/09/521554509.db2.gz HQGVRUZOGUVUSM-UHFFFAOYSA-N 1 2 354.385 2.574 20 30 FFEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@]2(CCOC2)O1 ZINC000619516229 521604519 /nfs/dbraw/zinc/60/45/19/521604519.db2.gz GVIPCWQZWXYRRQ-YJBOKZPZSA-N 1 2 352.381 2.930 20 30 FFEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@]2(CCOC2)O1 ZINC000619516229 521604524 /nfs/dbraw/zinc/60/45/24/521604524.db2.gz GVIPCWQZWXYRRQ-YJBOKZPZSA-N 1 2 352.381 2.930 20 30 FFEDLO C=C[C@@H](Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)C(=O)OC ZINC000619687013 521824883 /nfs/dbraw/zinc/82/48/83/521824883.db2.gz HQWHEBASZWCENG-OAHLLOKOSA-N 1 2 358.467 2.683 20 30 FFEDLO C=C[C@@H](Sc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)C(=O)OC ZINC000619687027 521825749 /nfs/dbraw/zinc/82/57/49/521825749.db2.gz JNCIMULBRRAXDM-MRXNPFEDSA-N 1 2 372.494 2.742 20 30 FFEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784564 521870928 /nfs/dbraw/zinc/87/09/28/521870928.db2.gz AYWPQQUYHLYCKC-CRAIPNDOSA-N 1 2 360.889 2.533 20 30 FFEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784818 521871095 /nfs/dbraw/zinc/87/10/95/521871095.db2.gz VJQIRWHSDWBBGW-LPHOPBHVSA-N 1 2 374.916 2.923 20 30 FFEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)cc1 ZINC000623659142 522197548 /nfs/dbraw/zinc/19/75/48/522197548.db2.gz QDNOBYXHZFLPKW-CQSZACIVSA-N 1 2 353.426 2.700 20 30 FFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000624326044 522610413 /nfs/dbraw/zinc/61/04/13/522610413.db2.gz FMYSFIAYOMXHAH-AQNXPRMDSA-N 1 2 372.513 2.717 20 30 FFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000624326044 522610419 /nfs/dbraw/zinc/61/04/19/522610419.db2.gz FMYSFIAYOMXHAH-AQNXPRMDSA-N 1 2 372.513 2.717 20 30 FFEDLO N#Cc1cnn2cc(C[N@H+]3CCC[C@]4(CC(=O)c5ccccc5O4)C3)cnc12 ZINC000628424426 523544837 /nfs/dbraw/zinc/54/48/37/523544837.db2.gz IEPDDICTKFREHW-NRFANRHFSA-N 1 2 373.416 2.601 20 30 FFEDLO N#Cc1cnn2cc(C[N@@H+]3CCC[C@]4(CC(=O)c5ccccc5O4)C3)cnc12 ZINC000628424426 523544849 /nfs/dbraw/zinc/54/48/49/523544849.db2.gz IEPDDICTKFREHW-NRFANRHFSA-N 1 2 373.416 2.601 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800624 523697178 /nfs/dbraw/zinc/69/71/78/523697178.db2.gz YWSWNHAXSMNBLP-LEWJYISDSA-N 1 2 369.465 2.541 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800624 523697183 /nfs/dbraw/zinc/69/71/83/523697183.db2.gz YWSWNHAXSMNBLP-LEWJYISDSA-N 1 2 369.465 2.541 20 30 FFEDLO CC[C@H](Cc1ccccc1C)C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000517733939 562096706 /nfs/dbraw/zinc/09/67/06/562096706.db2.gz IVZYGHGHYYBYDH-OAHLLOKOSA-N 1 2 353.470 2.949 20 30 FFEDLO C=CCNc1ncc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)s1 ZINC000532738999 562487253 /nfs/dbraw/zinc/48/72/53/562487253.db2.gz LQIPJZSYBLPXMI-OAHLLOKOSA-N 1 2 353.451 2.994 20 30 FFEDLO N#Cc1ccc(-n2ccc(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)n2)c(F)c1 ZINC000541134781 562604125 /nfs/dbraw/zinc/60/41/25/562604125.db2.gz WUOXYEJUTDCBKN-UHFFFAOYSA-N 1 2 373.351 2.716 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000819745451 606629193 /nfs/dbraw/zinc/62/91/93/606629193.db2.gz DLGUZHLAAOGFCS-MSOLQXFVSA-N 1 2 366.469 2.603 20 30 FFEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000819745451 606629194 /nfs/dbraw/zinc/62/91/94/606629194.db2.gz DLGUZHLAAOGFCS-MSOLQXFVSA-N 1 2 366.469 2.603 20 30 FFEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000823844637 608355766 /nfs/dbraw/zinc/35/57/66/608355766.db2.gz DZVAHFKMGBUTGS-UHFFFAOYSA-N 1 2 351.385 2.650 20 30 FFEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000823844637 608355767 /nfs/dbraw/zinc/35/57/67/608355767.db2.gz DZVAHFKMGBUTGS-UHFFFAOYSA-N 1 2 351.385 2.650 20 30 FFEDLO C#CC[C@@H]([NH2+]Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)c1ccccc1 ZINC000823838233 608516623 /nfs/dbraw/zinc/51/66/23/608516623.db2.gz MLWGGJJRHJZQSY-QGZVFWFLSA-N 1 2 371.404 2.771 20 30 FFEDLO C#CC[N@H+](CC#CC)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000744410899 735353095 /nfs/dbraw/zinc/35/30/95/735353095.db2.gz ZMXRPBMJSNJGJV-CQSZACIVSA-N 1 2 352.507 2.899 20 30 FFEDLO C#CC[N@@H+](CC#CC)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000744410899 735353098 /nfs/dbraw/zinc/35/30/98/735353098.db2.gz ZMXRPBMJSNJGJV-CQSZACIVSA-N 1 2 352.507 2.899 20 30 FFEDLO NC(Cc1ccccc1)=[NH+]OCC(=O)Nc1ccc(Br)cc1 ZINC000072001960 728209674 /nfs/dbraw/zinc/20/96/74/728209674.db2.gz AOGBMJUBDQJCGN-UHFFFAOYSA-N 1 2 362.227 2.919 20 30 FFEDLO N#Cc1cccnc1N1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000122899858 728652866 /nfs/dbraw/zinc/65/28/66/728652866.db2.gz KPQDKSBZICMXPT-UHFFFAOYSA-N 1 2 373.254 2.744 20 30 FFEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccns1 ZINC000858964801 730438308 /nfs/dbraw/zinc/43/83/08/730438308.db2.gz FUCNWOQTHHWQCA-CQSZACIVSA-N 1 2 355.467 2.603 20 30 FFEDLO C#CC[C@@H](COC)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000860307352 730500109 /nfs/dbraw/zinc/50/01/09/730500109.db2.gz RKDGJPVGGSUFFN-KGLIPLIRSA-N 1 2 350.488 2.535 20 30 FFEDLO C#CC[C@@H](COC)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000860307352 730500113 /nfs/dbraw/zinc/50/01/13/730500113.db2.gz RKDGJPVGGSUFFN-KGLIPLIRSA-N 1 2 350.488 2.535 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)cc1OC ZINC000862399983 730697423 /nfs/dbraw/zinc/69/74/23/730697423.db2.gz JLCJOXJILKMTCL-HIFRSBDPSA-N 1 2 366.845 2.844 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)cc1OC ZINC000862399983 730697425 /nfs/dbraw/zinc/69/74/25/730697425.db2.gz JLCJOXJILKMTCL-HIFRSBDPSA-N 1 2 366.845 2.844 20 30 FFEDLO Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1C#N ZINC000870997723 731585027 /nfs/dbraw/zinc/58/50/27/731585027.db2.gz XIERIDUNSFASNW-UHFFFAOYSA-N 1 2 352.463 2.745 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)[C@H](C)COC ZINC000661244101 732187570 /nfs/dbraw/zinc/18/75/70/732187570.db2.gz PTJQRDYMPNUWNP-GFCCVEGCSA-N 1 2 356.850 2.819 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)[C@H](C)COC ZINC000661244101 732187571 /nfs/dbraw/zinc/18/75/71/732187571.db2.gz PTJQRDYMPNUWNP-GFCCVEGCSA-N 1 2 356.850 2.819 20 30 FFEDLO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000877474116 732367829 /nfs/dbraw/zinc/36/78/29/732367829.db2.gz QPXVTISMPNJESO-MRXNPFEDSA-N 1 2 358.804 2.636 20 30 FFEDLO C#CCC1(O)CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000880482495 732914151 /nfs/dbraw/zinc/91/41/51/732914151.db2.gz KSAQKMXSGYSDBO-UHFFFAOYSA-N 1 2 353.216 2.708 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)Nc2ccccc2C[NH+]2CCSCC2)c1 ZINC000886422314 733788496 /nfs/dbraw/zinc/78/84/96/733788496.db2.gz KSMTZRGWYQLAKV-UHFFFAOYSA-N 1 2 373.503 2.908 20 30 FFEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000886769434 733829457 /nfs/dbraw/zinc/82/94/57/733829457.db2.gz VEFYQVMRHBPMOI-UHFFFAOYSA-N 1 2 353.806 2.590 20 30 FFEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000888218855 734022590 /nfs/dbraw/zinc/02/25/90/734022590.db2.gz LWGYJEBQBARDGH-ZDUSSCGKSA-N 1 2 363.531 2.675 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 ZINC000732059401 734714948 /nfs/dbraw/zinc/71/49/48/734714948.db2.gz GOEMWRNMNJMAET-KRWDZBQOSA-N 1 2 361.873 2.762 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 ZINC000732059401 734714951 /nfs/dbraw/zinc/71/49/51/734714951.db2.gz GOEMWRNMNJMAET-KRWDZBQOSA-N 1 2 361.873 2.762 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000733280941 734803312 /nfs/dbraw/zinc/80/33/12/734803312.db2.gz BANADHNXQPJGGZ-HNNXBMFYSA-N 1 2 356.813 2.958 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000733280941 734803317 /nfs/dbraw/zinc/80/33/17/734803317.db2.gz BANADHNXQPJGGZ-HNNXBMFYSA-N 1 2 356.813 2.958 20 30 FFEDLO C=CCn1c2ccccc2n(C[NH+]2CCC3(COC(=O)N3)CC2)c1=S ZINC000784020107 738855819 /nfs/dbraw/zinc/85/58/19/738855819.db2.gz ASQYBXQSOBRCAH-UHFFFAOYSA-N 1 2 358.467 2.890 20 30 FFEDLO C#CC1(O)CC[NH+](Cc2cc(Br)c(OCC)c(OC)c2)CC1 ZINC000895379663 734997858 /nfs/dbraw/zinc/99/78/58/734997858.db2.gz NGTKEOWMCJIZKB-UHFFFAOYSA-N 1 2 368.271 2.817 20 30 FFEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](CC)C[C@H]2CCOC2)c1=S ZINC000738081484 735020575 /nfs/dbraw/zinc/02/05/75/735020575.db2.gz LFXKMZBOCMTKBK-OAHLLOKOSA-N 1 2 359.499 2.978 20 30 FFEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](CC)C[C@H]2CCOC2)c1=S ZINC000738081484 735020579 /nfs/dbraw/zinc/02/05/79/735020579.db2.gz LFXKMZBOCMTKBK-OAHLLOKOSA-N 1 2 359.499 2.978 20 30 FFEDLO C#C[C@H](CC)NC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000753262908 736050500 /nfs/dbraw/zinc/05/05/00/736050500.db2.gz ASNHSJFSGYUMTO-MRXNPFEDSA-N 1 2 353.388 2.944 20 30 FFEDLO C=CCn1cc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)nn1 ZINC000903192653 736053037 /nfs/dbraw/zinc/05/30/37/736053037.db2.gz PVICDTULQWVZEO-LLVKDONJSA-N 1 2 374.388 2.608 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3csc(C=O)c3)CC2)cc1 ZINC000754968163 736219929 /nfs/dbraw/zinc/21/99/29/736219929.db2.gz VHDXAOODEUVIFR-UHFFFAOYSA-N 1 2 353.447 2.780 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3csc(C=O)c3)CC2)cc1 ZINC000754968163 736219933 /nfs/dbraw/zinc/21/99/33/736219933.db2.gz VHDXAOODEUVIFR-UHFFFAOYSA-N 1 2 353.447 2.780 20 30 FFEDLO N#Cc1cccn(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1=O ZINC000758240408 736466999 /nfs/dbraw/zinc/46/69/99/736466999.db2.gz PWSHOWTVLYSNGS-OAHLLOKOSA-N 1 2 354.479 2.892 20 30 FFEDLO N#Cc1cccn(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1=O ZINC000758240408 736467003 /nfs/dbraw/zinc/46/70/03/736467003.db2.gz PWSHOWTVLYSNGS-OAHLLOKOSA-N 1 2 354.479 2.892 20 30 FFEDLO C#CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000764737843 737045212 /nfs/dbraw/zinc/04/52/12/737045212.db2.gz HBGFRKJGXRFTSO-MSOLQXFVSA-N 1 2 361.873 2.519 20 30 FFEDLO C#CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000764737843 737045217 /nfs/dbraw/zinc/04/52/17/737045217.db2.gz HBGFRKJGXRFTSO-MSOLQXFVSA-N 1 2 361.873 2.519 20 30 FFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)COc2cccc(C#N)c2)CC1 ZINC000765315365 737107843 /nfs/dbraw/zinc/10/78/43/737107843.db2.gz YIDHMAJFEHATNX-HNNXBMFYSA-N 1 2 355.463 2.904 20 30 FFEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000914231313 737534178 /nfs/dbraw/zinc/53/41/78/737534178.db2.gz GHBUOEWAPDWYAR-UHFFFAOYSA-N 1 2 358.467 2.608 20 30 FFEDLO CSCCNC(=S)NN=C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000769606005 737545810 /nfs/dbraw/zinc/54/58/10/737545810.db2.gz VFFUVKZNRRXWQM-UHFFFAOYSA-N 1 2 365.572 2.536 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)[C@@H]1CCCO1 ZINC000775344045 738085653 /nfs/dbraw/zinc/08/56/53/738085653.db2.gz CEILYFONVBYBAQ-HIFRSBDPSA-N 1 2 351.237 2.845 20 30 FFEDLO C#C[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)[C@H]1CCCO1 ZINC000775352628 738086445 /nfs/dbraw/zinc/08/64/45/738086445.db2.gz YCZWRXMDCABGLS-HZPDHXFCSA-N 1 2 351.237 2.845 20 30 FFEDLO C=C[C@](C)(CC)C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000785756723 738995859 /nfs/dbraw/zinc/99/58/59/738995859.db2.gz CGPGPFWQXIOGBT-GOSISDBHSA-N 1 2 350.484 2.538 20 30 FFEDLO C[C@H]1C[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CCN1CC(F)(F)F ZINC000930135027 739063277 /nfs/dbraw/zinc/06/32/77/739063277.db2.gz YNPPOWZLHWCLED-DTWKUNHWSA-N 1 2 358.273 2.503 20 30 FFEDLO C[C@H]1C[N@@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CCN1CC(F)(F)F ZINC000930135027 739063282 /nfs/dbraw/zinc/06/32/82/739063282.db2.gz YNPPOWZLHWCLED-DTWKUNHWSA-N 1 2 358.273 2.503 20 30 FFEDLO C[C@@H]1C[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CCN1CC(F)(F)F ZINC000930135029 739063376 /nfs/dbraw/zinc/06/33/76/739063376.db2.gz YNPPOWZLHWCLED-RKDXNWHRSA-N 1 2 358.273 2.503 20 30 FFEDLO C[C@@H]1C[N@@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CCN1CC(F)(F)F ZINC000930135029 739063381 /nfs/dbraw/zinc/06/33/81/739063381.db2.gz YNPPOWZLHWCLED-RKDXNWHRSA-N 1 2 358.273 2.503 20 30 FFEDLO COCCN(C)c1ccc(C=[NH+]Nc2ccc(Br)nc2)cn1 ZINC000790164649 739423664 /nfs/dbraw/zinc/42/36/64/739423664.db2.gz UDPDTJDCHUCPHM-UHFFFAOYSA-N 1 2 364.247 2.768 20 30 FFEDLO N#CC[C@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C(F)(F)F ZINC000932889782 739532135 /nfs/dbraw/zinc/53/21/35/739532135.db2.gz VVYRGEAABMGSEK-KBPBESRZSA-N 1 2 351.332 2.768 20 30 FFEDLO O=C1[C@H]([NH+]2CCC3(CC2)CC(=O)C=CO3)CCN1c1ccc(Cl)cc1 ZINC000933652550 739667557 /nfs/dbraw/zinc/66/75/57/739667557.db2.gz YKWAXCYKBWUING-QGZVFWFLSA-N 1 2 360.841 2.783 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cn3ccc(-c4cccs4)n3)C2)nc1 ZINC000793588369 739796814 /nfs/dbraw/zinc/79/68/14/739796814.db2.gz BDHZZGHPNQLNJE-HNNXBMFYSA-N 1 2 351.435 2.989 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cn3ccc(-c4cccs4)n3)C2)nc1 ZINC000793588369 739796816 /nfs/dbraw/zinc/79/68/16/739796816.db2.gz BDHZZGHPNQLNJE-HNNXBMFYSA-N 1 2 351.435 2.989 20 30 FFEDLO C=CCNC(=S)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000795105869 739965136 /nfs/dbraw/zinc/96/51/36/739965136.db2.gz GIMSOZKBHKRXPW-UHFFFAOYSA-N 1 2 369.288 2.801 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(F)cn3)CC2)c(Cl)c1 ZINC000799324023 740408127 /nfs/dbraw/zinc/40/81/27/740408127.db2.gz HQVBVEHAZJEBBY-GOSISDBHSA-N 1 2 360.820 2.601 20 30 FFEDLO CC(C)(C)n1ncnc1CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000800868842 740558670 /nfs/dbraw/zinc/55/86/70/740558670.db2.gz NEOWGOOWCGFAKQ-UHFFFAOYSA-N 1 2 352.236 2.633 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc(C)cs1 ZINC000960925466 740628754 /nfs/dbraw/zinc/62/87/54/740628754.db2.gz CFPKAZRLUWJCHI-RYRKJORJSA-N 1 2 363.527 2.856 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc(C)cs1 ZINC000960925466 740628756 /nfs/dbraw/zinc/62/87/56/740628756.db2.gz CFPKAZRLUWJCHI-RYRKJORJSA-N 1 2 363.527 2.856 20 30 FFEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000801915496 740663208 /nfs/dbraw/zinc/66/32/08/740663208.db2.gz RFVUVINQFZAZAG-LBPRGKRZSA-N 1 2 356.253 2.680 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2 ZINC000803596567 740813168 /nfs/dbraw/zinc/81/31/68/740813168.db2.gz WVONPEPFVIMVIL-AWEZNQCLSA-N 1 2 365.449 2.900 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2 ZINC000803596567 740813173 /nfs/dbraw/zinc/81/31/73/740813173.db2.gz WVONPEPFVIMVIL-AWEZNQCLSA-N 1 2 365.449 2.900 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)cs2)CC1(C)C ZINC000974586322 740883275 /nfs/dbraw/zinc/88/32/75/740883275.db2.gz DJXOYQCLSWLVDJ-OWCLPIDISA-N 1 2 363.527 2.759 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2nc(C)cs2)CC1(C)C ZINC000974586322 740883281 /nfs/dbraw/zinc/88/32/81/740883281.db2.gz DJXOYQCLSWLVDJ-OWCLPIDISA-N 1 2 363.527 2.759 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2csc(CC)n2)CC1(C)C ZINC000975055564 740919560 /nfs/dbraw/zinc/91/95/60/740919560.db2.gz LIFXTBPBDUTOFN-PMPSAXMXSA-N 1 2 363.527 2.623 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2csc(CC)n2)CC1(C)C ZINC000975055564 740919563 /nfs/dbraw/zinc/91/95/63/740919563.db2.gz LIFXTBPBDUTOFN-PMPSAXMXSA-N 1 2 363.527 2.623 20 30 FFEDLO Cc1nsc(N2CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC2)c1C#N ZINC000810065121 741379918 /nfs/dbraw/zinc/37/99/18/741379918.db2.gz IQDRBJIKFGOHEF-MRXNPFEDSA-N 1 2 362.886 2.832 20 30 FFEDLO NC(=NOCC[C@H]1CC1(Cl)Cl)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000818077524 742235388 /nfs/dbraw/zinc/23/53/88/742235388.db2.gz PYYFSQZNRFBTMK-HNNXBMFYSA-N 1 2 372.296 2.740 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001008579150 742384129 /nfs/dbraw/zinc/38/41/29/742384129.db2.gz ZPOVTNGYLAMMMM-LZQZEXGQSA-N 1 2 360.885 2.697 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001008579150 742384134 /nfs/dbraw/zinc/38/41/34/742384134.db2.gz ZPOVTNGYLAMMMM-LZQZEXGQSA-N 1 2 360.885 2.697 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ncc(C)s2)C1 ZINC001008812574 742407178 /nfs/dbraw/zinc/40/71/78/742407178.db2.gz ZXLYUWANRCNPSI-BQFCYCMXSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ncc(C)s2)C1 ZINC001008812574 742407182 /nfs/dbraw/zinc/40/71/82/742407182.db2.gz ZXLYUWANRCNPSI-BQFCYCMXSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC001014468356 742467716 /nfs/dbraw/zinc/46/77/16/742467716.db2.gz JAWOCYOUJFYUCG-KURKYZTESA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC001014468356 742467721 /nfs/dbraw/zinc/46/77/21/742467721.db2.gz JAWOCYOUJFYUCG-KURKYZTESA-N 1 2 350.409 2.637 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC)C1 ZINC001015726921 742479572 /nfs/dbraw/zinc/47/95/72/742479572.db2.gz UDGUEBWPGZPUEO-BBWFWOEESA-N 1 2 364.873 2.630 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC)C1 ZINC001015726921 742479575 /nfs/dbraw/zinc/47/95/75/742479575.db2.gz UDGUEBWPGZPUEO-BBWFWOEESA-N 1 2 364.873 2.630 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001015828279 742484505 /nfs/dbraw/zinc/48/45/05/742484505.db2.gz CSULPHQYUWRNJG-HFTRVMKXSA-N 1 2 364.873 2.717 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001015828279 742484508 /nfs/dbraw/zinc/48/45/08/742484508.db2.gz CSULPHQYUWRNJG-HFTRVMKXSA-N 1 2 364.873 2.717 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001015828673 742484731 /nfs/dbraw/zinc/48/47/31/742484731.db2.gz JQRDXJDRRUYIKK-GLJUWKHASA-N 1 2 350.409 2.637 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001015828673 742484737 /nfs/dbraw/zinc/48/47/37/742484737.db2.gz JQRDXJDRRUYIKK-GLJUWKHASA-N 1 2 350.409 2.637 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000823242625 742862594 /nfs/dbraw/zinc/86/25/94/742862594.db2.gz BRKHZOUMWKNRFB-XJKSGUPXSA-N 1 2 352.837 2.598 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000823242625 742862608 /nfs/dbraw/zinc/86/26/08/742862608.db2.gz BRKHZOUMWKNRFB-XJKSGUPXSA-N 1 2 352.837 2.598 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000824862373 743166115 /nfs/dbraw/zinc/16/61/15/743166115.db2.gz ZCISVJBGBIYPRQ-UHFFFAOYSA-N 1 2 354.353 2.575 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC001046632385 743332648 /nfs/dbraw/zinc/33/26/48/743332648.db2.gz XSNZTSLLILVXOE-GJYPPUQNSA-N 1 2 361.511 2.692 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC001046632385 743332655 /nfs/dbraw/zinc/33/26/55/743332655.db2.gz XSNZTSLLILVXOE-GJYPPUQNSA-N 1 2 361.511 2.692 20 30 FFEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F)CO2 ZINC001053848048 744999527 /nfs/dbraw/zinc/99/95/27/744999527.db2.gz QTEYYMQYKLNQQS-RRFJBIMHSA-N 1 2 358.404 2.667 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2CC2)CC1 ZINC000830517161 745374337 /nfs/dbraw/zinc/37/43/37/745374337.db2.gz UBYANZFSXANHLC-UHFFFAOYSA-N 1 2 355.873 2.764 20 30 FFEDLO C#C[C@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000836242978 746173287 /nfs/dbraw/zinc/17/32/87/746173287.db2.gz ZKPMNZUGZLWNHG-WFASDCNBSA-N 1 2 361.243 2.708 20 30 FFEDLO C=CCN1CCN(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)C1=O ZINC000839966424 746969765 /nfs/dbraw/zinc/96/97/65/746969765.db2.gz VUSYBJZKIYNTBU-UHFFFAOYSA-N 1 2 351.397 2.689 20 30 FFEDLO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNC1=[NH+]CCN1 ZINC000841661579 747425824 /nfs/dbraw/zinc/42/58/24/747425824.db2.gz MKRXEKXMRFLZCZ-UHFFFAOYSA-N 1 2 370.766 2.736 20 30 FFEDLO C#C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(Br)cc1 ZINC000844145089 747977884 /nfs/dbraw/zinc/97/78/84/747977884.db2.gz SDGIDUBBHIABBU-BBRMVZONSA-N 1 2 358.239 2.699 20 30 FFEDLO Cc1nc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)sc1C ZINC000844365486 748013811 /nfs/dbraw/zinc/01/38/11/748013811.db2.gz GIVWFMFPVVWMBC-BLLLJJGKSA-N 1 2 358.467 2.624 20 30 FFEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)sc1C ZINC000844365486 748013820 /nfs/dbraw/zinc/01/38/20/748013820.db2.gz GIVWFMFPVVWMBC-BLLLJJGKSA-N 1 2 358.467 2.624 20 30 FFEDLO C=C[C@H](C)ONC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000845626988 748294873 /nfs/dbraw/zinc/29/48/73/748294873.db2.gz LLXADISPXYFMDW-RCBQFDQVSA-N 1 2 353.850 2.517 20 30 FFEDLO C=C[C@H](C)ONC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000845626988 748294875 /nfs/dbraw/zinc/29/48/75/748294875.db2.gz LLXADISPXYFMDW-RCBQFDQVSA-N 1 2 353.850 2.517 20 30 FFEDLO C=CCCn1cc(C[N@H+](C)C[C@@H](O)c2cccc(Br)c2)nn1 ZINC000846995471 748594131 /nfs/dbraw/zinc/59/41/31/748594131.db2.gz NRBNBTHJJVTUJP-MRXNPFEDSA-N 1 2 365.275 2.782 20 30 FFEDLO C=CCCn1cc(C[N@@H+](C)C[C@@H](O)c2cccc(Br)c2)nn1 ZINC000846995471 748594136 /nfs/dbraw/zinc/59/41/36/748594136.db2.gz NRBNBTHJJVTUJP-MRXNPFEDSA-N 1 2 365.275 2.782 20 30 FFEDLO C[C@@H]1C[N@H+](CCNC(=S)Nc2ccc(C#N)c(Cl)c2)[C@H](C)CO1 ZINC000849283201 749087105 /nfs/dbraw/zinc/08/71/05/749087105.db2.gz ZBTASCFOWLEAJH-VXGBXAGGSA-N 1 2 352.891 2.607 20 30 FFEDLO C[C@@H]1C[N@@H+](CCNC(=S)Nc2ccc(C#N)c(Cl)c2)[C@H](C)CO1 ZINC000849283201 749087109 /nfs/dbraw/zinc/08/71/09/749087109.db2.gz ZBTASCFOWLEAJH-VXGBXAGGSA-N 1 2 352.891 2.607 20 30 FFEDLO C[C@@H](C[NH+]1CCN(c2ccsc2C#N)CC1)NC(=O)OC(C)(C)C ZINC000852343625 749839652 /nfs/dbraw/zinc/83/96/52/749839652.db2.gz YNCKMYJLDFXWGX-ZDUSSCGKSA-N 1 2 350.488 2.655 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc2c(c1)CCS2(=O)=O ZINC000853442146 750059285 /nfs/dbraw/zinc/05/92/85/750059285.db2.gz GLRPZNMWEDITFA-UHFFFAOYSA-N 1 2 356.447 2.816 20 30 FFEDLO C=CC[N@H+](CN1C(=O)C[C@](C)(c2ccc(Cl)cc2)C1=O)[C@@H](C)COC ZINC000853533687 750085890 /nfs/dbraw/zinc/08/58/90/750085890.db2.gz AHLZWGFLXHSJQO-IFXJQAMLSA-N 1 2 364.873 2.837 20 30 FFEDLO C=CC[N@@H+](CN1C(=O)C[C@](C)(c2ccc(Cl)cc2)C1=O)[C@@H](C)COC ZINC000853533687 750085895 /nfs/dbraw/zinc/08/58/95/750085895.db2.gz AHLZWGFLXHSJQO-IFXJQAMLSA-N 1 2 364.873 2.837 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2noc3c2CCCC3)C1 ZINC001112063832 971155939 /nfs/dbraw/zinc/15/59/39/971155939.db2.gz YJPRKOSIRSLUOP-UKRRQHHQSA-N 1 2 371.403 2.999 20 30 FFEDLO CCOC(=O)Cn1cc(C[N@@H+]2CCC[C@@H](C#N)C2)c(-c2ccccc2)n1 ZINC000896502661 971526364 /nfs/dbraw/zinc/52/63/64/971526364.db2.gz YTFRDYPYNFWBNN-INIZCTEOSA-N 1 2 352.438 2.849 20 30 FFEDLO CCOC(=O)Cn1cc(C[N@H+]2CCC[C@@H](C#N)C2)c(-c2ccccc2)n1 ZINC000896502661 971526372 /nfs/dbraw/zinc/52/63/72/971526372.db2.gz YTFRDYPYNFWBNN-INIZCTEOSA-N 1 2 352.438 2.849 20 30 FFEDLO Cc1cccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001095287881 1013095474 /nfs/dbraw/zinc/09/54/74/1013095474.db2.gz OJHOBQQYMLHGOQ-COXVUDFISA-N 1 2 352.463 2.859 20 30 FFEDLO Cc1cccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001095287881 1013095489 /nfs/dbraw/zinc/09/54/89/1013095489.db2.gz OJHOBQQYMLHGOQ-COXVUDFISA-N 1 2 352.463 2.859 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CCC[N@H+](Cc3cn(Cc4ccccc4)nn3)C2)nc1 ZINC000896652854 971651723 /nfs/dbraw/zinc/65/17/23/971651723.db2.gz VKGSLIPTLJITDB-LJQANCHMSA-N 1 2 373.464 2.670 20 30 FFEDLO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3cn(Cc4ccccc4)nn3)C2)nc1 ZINC000896652854 971651729 /nfs/dbraw/zinc/65/17/29/971651729.db2.gz VKGSLIPTLJITDB-LJQANCHMSA-N 1 2 373.464 2.670 20 30 FFEDLO Cc1nc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C(F)(F)F)cs1 ZINC001112098139 971827238 /nfs/dbraw/zinc/82/72/38/971827238.db2.gz WNZHAAPWYKNSBP-ZIAGYGMSSA-N 1 2 359.417 2.590 20 30 FFEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000975064514 972335624 /nfs/dbraw/zinc/33/56/24/972335624.db2.gz OMZMNGVWMZACJT-FPAYPSAMSA-N 1 2 371.456 2.591 20 30 FFEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000975064514 972335626 /nfs/dbraw/zinc/33/56/26/972335626.db2.gz OMZMNGVWMZACJT-FPAYPSAMSA-N 1 2 371.456 2.591 20 30 FFEDLO C#CCCCc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC(=C)C ZINC000909320612 958837538 /nfs/dbraw/zinc/83/75/38/958837538.db2.gz MTTPWCSXFPTGGH-UHFFFAOYSA-N 1 2 350.470 2.532 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1cnc(C)cn1 ZINC001029511288 972397960 /nfs/dbraw/zinc/39/79/60/972397960.db2.gz GRAYQYFGBTVUOG-JNIAIEOXSA-N 1 2 370.497 2.502 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1cnc(C)cn1 ZINC001029511288 972397967 /nfs/dbraw/zinc/39/79/67/972397967.db2.gz GRAYQYFGBTVUOG-JNIAIEOXSA-N 1 2 370.497 2.502 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cncc(F)c2)C3)c1 ZINC001095302058 1013197870 /nfs/dbraw/zinc/19/78/70/1013197870.db2.gz CBASGPJEFZGUJU-NEWSRXKRSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cncc(F)c2)C3)c1 ZINC001095302058 1013197879 /nfs/dbraw/zinc/19/78/79/1013197879.db2.gz CBASGPJEFZGUJU-NEWSRXKRSA-N 1 2 368.387 2.767 20 30 FFEDLO N#CCCCN1C[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3F)C2)OCC1=O ZINC001275993426 1013262162 /nfs/dbraw/zinc/26/21/62/1013262162.db2.gz JZBVOLAMYROWIC-GOSISDBHSA-N 1 2 365.836 2.586 20 30 FFEDLO N#CCCCN1C[C@]2(CC[N@H+](Cc3ccc(Cl)cc3F)C2)OCC1=O ZINC001275993426 1013262176 /nfs/dbraw/zinc/26/21/76/1013262176.db2.gz JZBVOLAMYROWIC-GOSISDBHSA-N 1 2 365.836 2.586 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(F)c2F)C1 ZINC000970571544 961736219 /nfs/dbraw/zinc/73/62/19/961736219.db2.gz LYOQSZNIPNSQSD-AXHNFQJDSA-N 1 2 364.436 2.883 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccnc1Br ZINC001276022503 1013290701 /nfs/dbraw/zinc/29/07/01/1013290701.db2.gz JSLWVHZCPQWUAM-KRWDZBQOSA-N 1 2 364.287 2.987 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccnc1Br ZINC001276022503 1013290711 /nfs/dbraw/zinc/29/07/11/1013290711.db2.gz JSLWVHZCPQWUAM-KRWDZBQOSA-N 1 2 364.287 2.987 20 30 FFEDLO C=C[C@@H]1CCCCN1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000683779956 962200016 /nfs/dbraw/zinc/20/00/16/962200016.db2.gz BMKISPCRECPVEC-MRXNPFEDSA-N 1 2 356.470 2.647 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C2CC2)no1 ZINC001095432950 1013345678 /nfs/dbraw/zinc/34/56/78/1013345678.db2.gz PJBFQXUNYZFXCD-LYGKUDJVSA-N 1 2 371.481 2.755 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C2CC2)no1 ZINC001095432950 1013345686 /nfs/dbraw/zinc/34/56/86/1013345686.db2.gz PJBFQXUNYZFXCD-LYGKUDJVSA-N 1 2 371.481 2.755 20 30 FFEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)COc1ccccc1C#N ZINC000126281735 963539307 /nfs/dbraw/zinc/53/93/07/963539307.db2.gz KNTKSZQHQBRZOZ-UHFFFAOYSA-N 1 2 365.433 2.716 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001059092759 964033748 /nfs/dbraw/zinc/03/37/48/964033748.db2.gz DGCPVLAFJPUBMS-BQFCYCMXSA-N 1 2 356.470 2.656 20 30 FFEDLO N#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4csc(C5CC5)n4)C[C@H]32)[nH]1 ZINC001075698981 964248559 /nfs/dbraw/zinc/24/85/59/964248559.db2.gz OJSYDWKUIYYLKF-SUMWQHHRSA-N 1 2 367.478 2.567 20 30 FFEDLO N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4csc(C5CC5)n4)C[C@H]32)[nH]1 ZINC001075698981 964248569 /nfs/dbraw/zinc/24/85/69/964248569.db2.gz OJSYDWKUIYYLKF-SUMWQHHRSA-N 1 2 367.478 2.567 20 30 FFEDLO CCCCOC(=O)CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000157470332 964329700 /nfs/dbraw/zinc/32/97/00/964329700.db2.gz VDCZKGKMNOTBFO-UHFFFAOYSA-N 1 2 372.425 2.662 20 30 FFEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC001175452467 1013491606 /nfs/dbraw/zinc/49/16/06/1013491606.db2.gz DNHDXODMXZTPEO-UHFFFAOYSA-N 1 2 350.397 2.900 20 30 FFEDLO CCc1nc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)co1 ZINC001075710815 964380363 /nfs/dbraw/zinc/38/03/63/964380363.db2.gz MQQYFJZHGVJEHH-MAUKXSAKSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1nc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)co1 ZINC001075710815 964380374 /nfs/dbraw/zinc/38/03/74/964380374.db2.gz MQQYFJZHGVJEHH-MAUKXSAKSA-N 1 2 368.412 2.594 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000960885861 1013507055 /nfs/dbraw/zinc/50/70/55/1013507055.db2.gz XTQXAARZXRGALT-KURKYZTESA-N 1 2 359.470 2.566 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1coc(C2CC2)n1 ZINC000960885861 1013507065 /nfs/dbraw/zinc/50/70/65/1013507065.db2.gz XTQXAARZXRGALT-KURKYZTESA-N 1 2 359.470 2.566 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)/C=C/c3ccc[nH]3)[C@@H]2C1 ZINC001075728723 964686854 /nfs/dbraw/zinc/68/68/54/964686854.db2.gz JAWLAGUYFBFTFN-UUHFFZMRSA-N 1 2 364.424 2.772 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)/C=C/c3ccc[nH]3)[C@@H]2C1 ZINC001075728723 964686861 /nfs/dbraw/zinc/68/68/61/964686861.db2.gz JAWLAGUYFBFTFN-UUHFFZMRSA-N 1 2 364.424 2.772 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001270163705 964752462 /nfs/dbraw/zinc/75/24/62/964752462.db2.gz IWPRCOCEEFLRJV-KDURUIRLSA-N 1 2 362.518 2.545 20 30 FFEDLO N#Cc1cc(F)cc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)c1 ZINC001175685152 1013538132 /nfs/dbraw/zinc/53/81/32/1013538132.db2.gz YUQQAVXAYKPLKB-UHFFFAOYSA-N 1 2 352.413 2.962 20 30 FFEDLO Cc1ccc([C@H](C/N=C\c2ccc(O)c(O)c2O)[NH+]2CCOCC2)cc1 ZINC000255391743 964953095 /nfs/dbraw/zinc/95/30/95/964953095.db2.gz MJLPTAVXBAADFF-WCEBZYJUSA-N 1 2 356.422 2.604 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2nc(CC)oc2C)C1 ZINC001087468640 965258098 /nfs/dbraw/zinc/25/80/98/965258098.db2.gz JRVCHSFGCCRCDT-QZTJIDSGSA-N 1 2 369.440 2.906 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2nc(CC)oc2C)C1 ZINC001087468640 965258107 /nfs/dbraw/zinc/25/81/07/965258107.db2.gz JRVCHSFGCCRCDT-QZTJIDSGSA-N 1 2 369.440 2.906 20 30 FFEDLO Cc1ccc2n[nH]cc2c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000873817524 1013646917 /nfs/dbraw/zinc/64/69/17/1013646917.db2.gz YPHZIBZFWVDDLG-UHFFFAOYSA-N 1 2 359.433 2.701 20 30 FFEDLO C#C[C@H](NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)[C@@H]1CCCO1 ZINC000773557687 1013656217 /nfs/dbraw/zinc/65/62/17/1013656217.db2.gz JMBYIJHSUYLZLR-ZCNNSNEGSA-N 1 2 366.465 2.721 20 30 FFEDLO C#CC1(F)CN(C(=O)[C@@H](c2cccc(Br)c2)[NH+]2CCCC2)C1 ZINC001176294091 1013665299 /nfs/dbraw/zinc/66/52/99/1013665299.db2.gz FANMZUCLYYGITM-OAHLLOKOSA-N 1 2 365.246 2.770 20 30 FFEDLO Cc1nc(NC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCCC2)ccc1C#N ZINC001104440307 967229539 /nfs/dbraw/zinc/22/95/39/967229539.db2.gz YBTVFVIGBSNUML-HZPDHXFCSA-N 1 2 364.453 2.629 20 30 FFEDLO Cc1nc(NC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCCC2)ccc1C#N ZINC001104440307 967229546 /nfs/dbraw/zinc/22/95/46/967229546.db2.gz YBTVFVIGBSNUML-HZPDHXFCSA-N 1 2 364.453 2.629 20 30 FFEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000895065303 967345859 /nfs/dbraw/zinc/34/58/59/967345859.db2.gz AWUBHAIICPRWBB-UHFFFAOYSA-N 1 2 365.433 2.529 20 30 FFEDLO C#CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001211585942 967562700 /nfs/dbraw/zinc/56/27/00/967562700.db2.gz AQUUEHFAYIWDKI-ZYSHUDEJSA-N 1 2 366.465 2.827 20 30 FFEDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000329376444 967668977 /nfs/dbraw/zinc/66/89/77/967668977.db2.gz LJVBNBDZWZWCPV-GOSISDBHSA-N 1 2 371.481 2.755 20 30 FFEDLO CC(C)(C)C#CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001211597083 967693673 /nfs/dbraw/zinc/69/36/73/967693673.db2.gz WIDVCKIEKAZCTJ-ZWKOTPCHSA-N 1 2 368.506 2.672 20 30 FFEDLO C[C@H](c1cccc(NC(=O)N2CC3(C2)CCCOC3)c1)[NH+]1CCOCC1 ZINC000329577001 967813486 /nfs/dbraw/zinc/81/34/86/967813486.db2.gz SMHJJRXHLILETM-MRXNPFEDSA-N 1 2 359.470 2.738 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cnnc(C)c2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087556027 968119911 /nfs/dbraw/zinc/11/99/11/968119911.db2.gz PZZBTDPACWZLMR-RBUKOAKNSA-N 1 2 367.428 2.579 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)c2cnnc(C)c2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087556027 968119920 /nfs/dbraw/zinc/11/99/20/968119920.db2.gz PZZBTDPACWZLMR-RBUKOAKNSA-N 1 2 367.428 2.579 20 30 FFEDLO N#CC1(c2ccc(Br)cc2)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001176830734 1013784837 /nfs/dbraw/zinc/78/48/37/1013784837.db2.gz DEXZDVBZVBOPHL-UHFFFAOYSA-N 1 2 373.254 2.799 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2CC)[C@H]1CC ZINC001087666375 968546600 /nfs/dbraw/zinc/54/66/00/968546600.db2.gz PGBOUVZXKANWOA-BARDWOONSA-N 1 2 359.308 2.679 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2CC)[C@H]1CC ZINC001087666375 968546608 /nfs/dbraw/zinc/54/66/08/968546608.db2.gz PGBOUVZXKANWOA-BARDWOONSA-N 1 2 359.308 2.679 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)[nH]c2=O)[C@H]1CC ZINC001087741137 968835577 /nfs/dbraw/zinc/83/55/77/968835577.db2.gz RRAMXDACHQRBRU-UONOGXRCSA-N 1 2 368.275 2.587 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)[nH]c2=O)[C@H]1CC ZINC001087741137 968835583 /nfs/dbraw/zinc/83/55/83/968835583.db2.gz RRAMXDACHQRBRU-UONOGXRCSA-N 1 2 368.275 2.587 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(C)nc2C(F)(F)F)[C@H]1CC ZINC001087742047 968840077 /nfs/dbraw/zinc/84/00/77/968840077.db2.gz PGPRHLIOSRHCCT-NWDGAFQWSA-N 1 2 364.799 2.774 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)nc2C(F)(F)F)[C@H]1CC ZINC001087742047 968840083 /nfs/dbraw/zinc/84/00/83/968840083.db2.gz PGPRHLIOSRHCCT-NWDGAFQWSA-N 1 2 364.799 2.774 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3coc(C)n3)[C@@H]2CC)cc1 ZINC001087753515 968905224 /nfs/dbraw/zinc/90/52/24/968905224.db2.gz LVYHYLLSQROMCI-VQTJNVASSA-N 1 2 367.449 2.778 20 30 FFEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3coc(C)n3)[C@@H]2CC)cc1 ZINC001087753515 968905234 /nfs/dbraw/zinc/90/52/34/968905234.db2.gz LVYHYLLSQROMCI-VQTJNVASSA-N 1 2 367.449 2.778 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cn1 ZINC001024443260 968923418 /nfs/dbraw/zinc/92/34/18/968923418.db2.gz GDNZZEQTAJLSKR-OTWHNJEPSA-N 1 2 361.461 2.673 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cn1 ZINC001024443260 968923426 /nfs/dbraw/zinc/92/34/26/968923426.db2.gz GDNZZEQTAJLSKR-OTWHNJEPSA-N 1 2 361.461 2.673 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cccs3)[C@@H]2C1 ZINC001075494839 969097307 /nfs/dbraw/zinc/09/73/07/969097307.db2.gz YHQAYEUYSGFJBW-GXTWGEPZSA-N 1 2 355.301 2.732 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3cccs3)[C@@H]2C1 ZINC001075494839 969097320 /nfs/dbraw/zinc/09/73/20/969097320.db2.gz YHQAYEUYSGFJBW-GXTWGEPZSA-N 1 2 355.301 2.732 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000177563564 969271222 /nfs/dbraw/zinc/27/12/22/969271222.db2.gz LLYOHUUAZUQANK-AEFFLSMTSA-N 1 2 359.470 2.708 20 30 FFEDLO CCOc1ccccc1[C@@H](CC)NC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000178150564 969462965 /nfs/dbraw/zinc/46/29/65/969462965.db2.gz ABXCCGSUVIAEDI-QGZVFWFLSA-N 1 2 355.438 2.990 20 30 FFEDLO N#Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1O ZINC000190035481 970225853 /nfs/dbraw/zinc/22/58/53/970225853.db2.gz AKMBAZNTERBXGF-UHFFFAOYSA-N 1 2 353.397 2.751 20 30 FFEDLO N#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1O ZINC000190035481 970225861 /nfs/dbraw/zinc/22/58/61/970225861.db2.gz AKMBAZNTERBXGF-UHFFFAOYSA-N 1 2 353.397 2.751 20 30 FFEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000328957653 970742011 /nfs/dbraw/zinc/74/20/11/970742011.db2.gz OFIYVRCTKCZZSX-RHSMWYFYSA-N 1 2 356.470 2.511 20 30 FFEDLO Cc1ncsc1C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075578031 975318216 /nfs/dbraw/zinc/31/82/16/975318216.db2.gz FVEQPPKJZNMUMU-ZWKOTPCHSA-N 1 2 351.475 2.650 20 30 FFEDLO Cc1ncsc1C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075578031 975318222 /nfs/dbraw/zinc/31/82/22/975318222.db2.gz FVEQPPKJZNMUMU-ZWKOTPCHSA-N 1 2 351.475 2.650 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)[C@H]1C ZINC001088719993 975587913 /nfs/dbraw/zinc/58/79/13/975587913.db2.gz TXRWFLQFTLIJGE-DIOULYMOSA-N 1 2 355.265 2.975 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)[C@H]1C ZINC001088719993 975587924 /nfs/dbraw/zinc/58/79/24/975587924.db2.gz TXRWFLQFTLIJGE-DIOULYMOSA-N 1 2 355.265 2.975 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)on2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088778574 976140552 /nfs/dbraw/zinc/14/05/52/976140552.db2.gz KBPOBHNIEWUCNN-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)on2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088778574 976140558 /nfs/dbraw/zinc/14/05/58/976140558.db2.gz KBPOBHNIEWUCNN-PXAZEXFGSA-N 1 2 368.412 2.956 20 30 FFEDLO Cc1cnn(C)c1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001088802232 976403669 /nfs/dbraw/zinc/40/36/69/976403669.db2.gz OHMKYZDWNYIXDG-QAPCUYQASA-N 1 2 370.884 2.626 20 30 FFEDLO Cc1cnn(C)c1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001088802232 976403675 /nfs/dbraw/zinc/40/36/75/976403675.db2.gz OHMKYZDWNYIXDG-QAPCUYQASA-N 1 2 370.884 2.626 20 30 FFEDLO C=CCc1cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc(OC)c1OC ZINC000667646869 976585175 /nfs/dbraw/zinc/58/51/75/976585175.db2.gz FKYDPVNQMGOXNP-HZPDHXFCSA-N 1 2 355.438 2.586 20 30 FFEDLO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000982002936 977098644 /nfs/dbraw/zinc/09/86/44/977098644.db2.gz NWIKYLYSBITGIE-AQNXPRMDSA-N 1 2 372.896 2.793 20 30 FFEDLO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000982002936 977098652 /nfs/dbraw/zinc/09/86/52/977098652.db2.gz NWIKYLYSBITGIE-AQNXPRMDSA-N 1 2 372.896 2.793 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2Cc3ccc(F)cc32)[C@H]1C ZINC001088819820 977103592 /nfs/dbraw/zinc/10/35/92/977103592.db2.gz RJCYQJOKHGGEJU-RLCCDNCMSA-N 1 2 367.262 2.953 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2Cc3ccc(F)cc32)[C@H]1C ZINC001088819820 977103593 /nfs/dbraw/zinc/10/35/93/977103593.db2.gz RJCYQJOKHGGEJU-RLCCDNCMSA-N 1 2 367.262 2.953 20 30 FFEDLO O=C([C@@H]1C[C@H]1c1cccnc1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000982011940 977116878 /nfs/dbraw/zinc/11/68/78/977116878.db2.gz OHROHZRPGLFBLF-FCHUYYIVSA-N 1 2 359.473 2.771 20 30 FFEDLO O=C([C@@H]1C[C@H]1c1cccnc1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000982011940 977116888 /nfs/dbraw/zinc/11/68/88/977116888.db2.gz OHROHZRPGLFBLF-FCHUYYIVSA-N 1 2 359.473 2.771 20 30 FFEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCO[C@](C)(C#N)C2)c(C)c1 ZINC000893788456 977553641 /nfs/dbraw/zinc/55/36/41/977553641.db2.gz MTGNMSKZARTBLB-UYAOXDASSA-N 1 2 367.453 2.565 20 30 FFEDLO CCOC(=O)Cn1cc(C[N@H+](C[C@H](C)C#N)C2CC2)c(-c2cccnc2)n1 ZINC000894085920 977654432 /nfs/dbraw/zinc/65/44/32/977654432.db2.gz WPNSUJWNYUSDHQ-OAHLLOKOSA-N 1 2 367.453 2.632 20 30 FFEDLO CCOC(=O)Cn1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)c(-c2cccnc2)n1 ZINC000894085920 977654438 /nfs/dbraw/zinc/65/44/38/977654438.db2.gz WPNSUJWNYUSDHQ-OAHLLOKOSA-N 1 2 367.453 2.632 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@@H]2c2cccc(F)c2)c1 ZINC001087458361 977922029 /nfs/dbraw/zinc/92/20/29/977922029.db2.gz XZQIJLUICLTDBR-WOJBJXKFSA-N 1 2 369.415 2.759 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@@H]2c2cccc(F)c2)c1 ZINC001087458361 977922034 /nfs/dbraw/zinc/92/20/34/977922034.db2.gz XZQIJLUICLTDBR-WOJBJXKFSA-N 1 2 369.415 2.759 20 30 FFEDLO C=CCCn1cc(C[N@H+](Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)nn1 ZINC000653767052 1014442422 /nfs/dbraw/zinc/44/24/22/1014442422.db2.gz CQGCVXHMEPQKIY-WGSAOQKQSA-N 1 2 356.470 2.866 20 30 FFEDLO C=CCCn1cc(C[N@@H+](Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)nn1 ZINC000653767052 1014442428 /nfs/dbraw/zinc/44/24/28/1014442428.db2.gz CQGCVXHMEPQKIY-WGSAOQKQSA-N 1 2 356.470 2.866 20 30 FFEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2oc(CC)nc2C)C1 ZINC001087459751 977981967 /nfs/dbraw/zinc/98/19/67/977981967.db2.gz VTGCSZFQAAFIAI-QZTJIDSGSA-N 1 2 369.440 2.906 20 30 FFEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2oc(CC)nc2C)C1 ZINC001087459751 977981976 /nfs/dbraw/zinc/98/19/76/977981976.db2.gz VTGCSZFQAAFIAI-QZTJIDSGSA-N 1 2 369.440 2.906 20 30 FFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000664086783 978006534 /nfs/dbraw/zinc/00/65/34/978006534.db2.gz YDJNVYKOCZOHIU-PCCBWWKXSA-N 1 2 369.509 2.823 20 30 FFEDLO Cc1ccc(N2CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1C ZINC000126264352 978047244 /nfs/dbraw/zinc/04/72/44/978047244.db2.gz PPQZTEYYAQREAP-RXVVDRJESA-N 1 2 356.514 2.868 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2cccs2)cc1C#N ZINC001271845599 979145386 /nfs/dbraw/zinc/14/53/86/979145386.db2.gz OCVQOGKOIQRYBQ-CALCHBBNSA-N 1 2 368.506 2.766 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2cccs2)cc1C#N ZINC001271845599 979145392 /nfs/dbraw/zinc/14/53/92/979145392.db2.gz OCVQOGKOIQRYBQ-CALCHBBNSA-N 1 2 368.506 2.766 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C(F)(F)F)ccn3)[C@@H]2C1 ZINC001076425869 979482001 /nfs/dbraw/zinc/48/20/01/979482001.db2.gz XJNVSDOIZGKSRZ-SMDDNHRTSA-N 1 2 359.779 2.999 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C(F)(F)F)ccn3)[C@@H]2C1 ZINC001076425869 979482002 /nfs/dbraw/zinc/48/20/02/979482002.db2.gz XJNVSDOIZGKSRZ-SMDDNHRTSA-N 1 2 359.779 2.999 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4[nH]nc5ccccc54)[C@@H]3C2)cc1 ZINC001076523337 979613978 /nfs/dbraw/zinc/61/39/78/979613978.db2.gz FAHZFHDCVXOBIK-FXAWDEMLSA-N 1 2 371.444 2.781 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4[nH]nc5ccccc54)[C@@H]3C2)cc1 ZINC001076523337 979613984 /nfs/dbraw/zinc/61/39/84/979613984.db2.gz FAHZFHDCVXOBIK-FXAWDEMLSA-N 1 2 371.444 2.781 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3nocc3C)C[C@H]21)c1ccccc1 ZINC001076599567 979701693 /nfs/dbraw/zinc/70/16/93/979701693.db2.gz VMIXITFLIPOGPV-CMKODMSKSA-N 1 2 351.450 2.986 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3nocc3C)C[C@H]21)c1ccccc1 ZINC001076599567 979701702 /nfs/dbraw/zinc/70/17/02/979701702.db2.gz VMIXITFLIPOGPV-CMKODMSKSA-N 1 2 351.450 2.986 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(N(C)C)c(F)c3)[C@@H]2C1 ZINC001076609203 979712065 /nfs/dbraw/zinc/71/20/65/979712065.db2.gz AAHFUVCTPGKKMZ-WMLDXEAASA-N 1 2 351.853 2.791 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(N(C)C)c(F)c3)[C@@H]2C1 ZINC001076609203 979712071 /nfs/dbraw/zinc/71/20/71/979712071.db2.gz AAHFUVCTPGKKMZ-WMLDXEAASA-N 1 2 351.853 2.791 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccccc2O)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088471613 979756001 /nfs/dbraw/zinc/75/60/01/979756001.db2.gz VVSHTMJEGIMGRS-ACJLOTCBSA-N 1 2 353.397 2.796 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001059699920 979819849 /nfs/dbraw/zinc/81/98/49/979819849.db2.gz HOFMIINVKKAXNZ-CGTJXYLNSA-N 1 2 370.497 2.636 20 30 FFEDLO C=CCC(CC=C)C(=O)N1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001059699920 979819858 /nfs/dbraw/zinc/81/98/58/979819858.db2.gz HOFMIINVKKAXNZ-CGTJXYLNSA-N 1 2 370.497 2.636 20 30 FFEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)C1CCCCCCC1 ZINC001077360230 980132624 /nfs/dbraw/zinc/13/26/24/980132624.db2.gz YAUGPTCXLUKLFF-NHCUHLMSSA-N 1 2 354.494 2.560 20 30 FFEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)C1CCCCCCC1 ZINC001077360230 980132628 /nfs/dbraw/zinc/13/26/28/980132628.db2.gz YAUGPTCXLUKLFF-NHCUHLMSSA-N 1 2 354.494 2.560 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCOC4(CCCC4)C3)CC2)cc1 ZINC000905250404 980406348 /nfs/dbraw/zinc/40/63/48/980406348.db2.gz UVYAQXISRJIBED-HXUWFJFHSA-N 1 2 367.493 2.942 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccn(C)c2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088521293 980416922 /nfs/dbraw/zinc/41/69/22/980416922.db2.gz GESCXDWOBQXGCT-BEFAXECRSA-N 1 2 355.869 2.923 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ccn(C)c2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088521293 980416923 /nfs/dbraw/zinc/41/69/23/980416923.db2.gz GESCXDWOBQXGCT-BEFAXECRSA-N 1 2 355.869 2.923 20 30 FFEDLO CN1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877639238 1014656564 /nfs/dbraw/zinc/65/65/64/1014656564.db2.gz DANLGSAGJZOIDL-LJQANCHMSA-N 1 2 369.900 2.512 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001075885356 980479486 /nfs/dbraw/zinc/47/94/86/980479486.db2.gz SFLXHCCDCBWEEV-FUHWJXTLSA-N 1 2 366.465 2.886 20 30 FFEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001075885356 980479497 /nfs/dbraw/zinc/47/94/97/980479497.db2.gz SFLXHCCDCBWEEV-FUHWJXTLSA-N 1 2 366.465 2.886 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCOCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088546621 980517775 /nfs/dbraw/zinc/51/77/75/980517775.db2.gz LYUUAUXSVSYJDM-CLCXKQKWSA-N 1 2 359.445 2.593 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCOCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088546621 980517780 /nfs/dbraw/zinc/51/77/80/980517780.db2.gz LYUUAUXSVSYJDM-CLCXKQKWSA-N 1 2 359.445 2.593 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C(C)=C3CCC3)[C@H]2C)c1 ZINC001088560269 981059966 /nfs/dbraw/zinc/05/99/66/981059966.db2.gz IFCKFQJYRSIVEW-UZLBHIALSA-N 1 2 365.477 2.686 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C(C)=C3CCC3)[C@H]2C)c1 ZINC001088560269 981059974 /nfs/dbraw/zinc/05/99/74/981059974.db2.gz IFCKFQJYRSIVEW-UZLBHIALSA-N 1 2 365.477 2.686 20 30 FFEDLO Cc1ccc(Cl)cc1C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001272071947 981090729 /nfs/dbraw/zinc/09/07/29/981090729.db2.gz JCQFAVRQIPMLTC-UHFFFAOYSA-N 1 2 368.868 2.817 20 30 FFEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001212009650 981453937 /nfs/dbraw/zinc/45/39/37/981453937.db2.gz UTDAIXHCBKSKFN-NSISKUIASA-N 1 2 360.473 2.819 20 30 FFEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001212009650 981453946 /nfs/dbraw/zinc/45/39/46/981453946.db2.gz UTDAIXHCBKSKFN-NSISKUIASA-N 1 2 360.473 2.819 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC(=O)CC23CCC3)c(OC)c1 ZINC000653763087 981563499 /nfs/dbraw/zinc/56/34/99/981563499.db2.gz LFRAFSKIXJRXPO-SFHVURJKSA-N 1 2 359.466 2.751 20 30 FFEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC(=O)CC23CCC3)c(OC)c1 ZINC000653763087 981563504 /nfs/dbraw/zinc/56/35/04/981563504.db2.gz LFRAFSKIXJRXPO-SFHVURJKSA-N 1 2 359.466 2.751 20 30 FFEDLO CCCc1ccccc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083627065 981671363 /nfs/dbraw/zinc/67/13/63/981671363.db2.gz CJSXOZDKFBIGIY-MOPGFXCFSA-N 1 2 369.490 2.547 20 30 FFEDLO CCCc1ccccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083627065 981671365 /nfs/dbraw/zinc/67/13/65/981671365.db2.gz CJSXOZDKFBIGIY-MOPGFXCFSA-N 1 2 369.490 2.547 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccccc2)[C@@H]1C ZINC001088623446 982004505 /nfs/dbraw/zinc/00/45/05/982004505.db2.gz AEFYDBVUMSSHQI-AEFFLSMTSA-N 1 2 366.465 2.505 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2)[C@@H]1C ZINC001088623446 982004512 /nfs/dbraw/zinc/00/45/12/982004512.db2.gz AEFYDBVUMSSHQI-AEFFLSMTSA-N 1 2 366.465 2.505 20 30 FFEDLO CC(C)c1n[nH]cc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088695270 982839929 /nfs/dbraw/zinc/83/99/29/982839929.db2.gz JCVRKHWSDDXRHA-ACJLOTCBSA-N 1 2 369.444 2.937 20 30 FFEDLO CC(C)c1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088695270 982839937 /nfs/dbraw/zinc/83/99/37/982839937.db2.gz JCVRKHWSDDXRHA-ACJLOTCBSA-N 1 2 369.444 2.937 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1)c1ccccc1 ZINC000878193328 1014908286 /nfs/dbraw/zinc/90/82/86/1014908286.db2.gz WULLPEUNPPGVJU-YLJYHZDGSA-N 1 2 351.454 2.733 20 30 FFEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1)c1ccccc1 ZINC000878193328 1014908299 /nfs/dbraw/zinc/90/82/99/1014908299.db2.gz WULLPEUNPPGVJU-YLJYHZDGSA-N 1 2 351.454 2.733 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000944996228 984002342 /nfs/dbraw/zinc/00/23/42/984002342.db2.gz GSDWOGBPXJLOAT-HZPDHXFCSA-N 1 2 370.497 2.567 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000944996228 984002350 /nfs/dbraw/zinc/00/23/50/984002350.db2.gz GSDWOGBPXJLOAT-HZPDHXFCSA-N 1 2 370.497 2.567 20 30 FFEDLO COc1ccccc1[C@@H](C)N(C)C(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000151211422 984215641 /nfs/dbraw/zinc/21/56/41/984215641.db2.gz KYNHWZQCKBFELC-OAHLLOKOSA-N 1 2 355.438 2.746 20 30 FFEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCc2ccn(C)c(=O)c2)[nH+]1 ZINC001168399467 984495358 /nfs/dbraw/zinc/49/53/58/984495358.db2.gz LHFZCRYNQBEOPN-QSOCIONNSA-N 1 2 360.483 2.582 20 30 FFEDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000057548097 984503359 /nfs/dbraw/zinc/50/33/59/984503359.db2.gz NWSOGHWVOCMFIP-MRXNPFEDSA-N 1 2 364.449 2.716 20 30 FFEDLO C=C(C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnc(C3CC3)[nH]1)CC2 ZINC001107424387 984525828 /nfs/dbraw/zinc/52/58/28/984525828.db2.gz LJLJNDFZNZDWJE-OXQOHEQNSA-N 1 2 357.502 2.899 20 30 FFEDLO C=C(C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnc(C3CC3)[nH]1)CC2 ZINC001107424387 984525831 /nfs/dbraw/zinc/52/58/31/984525831.db2.gz LJLJNDFZNZDWJE-OXQOHEQNSA-N 1 2 357.502 2.899 20 30 FFEDLO CC[C@]1(C)COCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000761109544 984794836 /nfs/dbraw/zinc/79/48/36/984794836.db2.gz JQPPHZGHWMBWOQ-MGPUTAFESA-N 1 2 350.422 2.725 20 30 FFEDLO CC[C@]1(C)COCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000761109544 984794844 /nfs/dbraw/zinc/79/48/44/984794844.db2.gz JQPPHZGHWMBWOQ-MGPUTAFESA-N 1 2 350.422 2.725 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CCc3c(F)cccc3Cl)C[C@H]2O)C1 ZINC001077645571 984913367 /nfs/dbraw/zinc/91/33/67/984913367.db2.gz MUFXJZQDDRBBKA-IAGOWNOFSA-N 1 2 366.864 2.539 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CCc3c(F)cccc3Cl)C[C@H]2O)C1 ZINC001077645571 984913373 /nfs/dbraw/zinc/91/33/73/984913373.db2.gz MUFXJZQDDRBBKA-IAGOWNOFSA-N 1 2 366.864 2.539 20 30 FFEDLO CCc1ncoc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088846229 984976176 /nfs/dbraw/zinc/97/61/76/984976176.db2.gz BVPJAAHJDUJGBF-KDOFPFPSSA-N 1 2 355.413 2.620 20 30 FFEDLO CCc1ncoc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088846229 984976184 /nfs/dbraw/zinc/97/61/84/984976184.db2.gz BVPJAAHJDUJGBF-KDOFPFPSSA-N 1 2 355.413 2.620 20 30 FFEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001077698878 985066877 /nfs/dbraw/zinc/06/68/77/985066877.db2.gz DROPAIVMFYRRFM-VBSBHUPXSA-N 1 2 374.912 2.535 20 30 FFEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001077698878 985066889 /nfs/dbraw/zinc/06/68/89/985066889.db2.gz DROPAIVMFYRRFM-VBSBHUPXSA-N 1 2 374.912 2.535 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)no2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088892414 985335561 /nfs/dbraw/zinc/33/55/61/985335561.db2.gz XWINYAZXBGAXJM-ABAIWWIYSA-N 1 2 356.451 2.878 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)no2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088892414 985335576 /nfs/dbraw/zinc/33/55/76/985335576.db2.gz XWINYAZXBGAXJM-ABAIWWIYSA-N 1 2 356.451 2.878 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2c(C)n[nH]c2C)[C@H]1C ZINC001088926119 985484354 /nfs/dbraw/zinc/48/43/54/985484354.db2.gz JEXJXQHPGDGFMZ-GDLCADMTSA-N 1 2 369.307 2.618 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2c(C)n[nH]c2C)[C@H]1C ZINC001088926119 985484360 /nfs/dbraw/zinc/48/43/60/985484360.db2.gz JEXJXQHPGDGFMZ-GDLCADMTSA-N 1 2 369.307 2.618 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)c(C)o1 ZINC001088938573 985538319 /nfs/dbraw/zinc/53/83/19/985538319.db2.gz VRJNTUMUHWPPNJ-DIFFPNOSSA-N 1 2 356.401 2.695 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)c(C)o1 ZINC001088938573 985538330 /nfs/dbraw/zinc/53/83/30/985538330.db2.gz VRJNTUMUHWPPNJ-DIFFPNOSSA-N 1 2 356.401 2.695 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)c(C)o1 ZINC001088938414 985538580 /nfs/dbraw/zinc/53/85/80/985538580.db2.gz MXAIPBOCOXUXMZ-DIFFPNOSSA-N 1 2 356.401 2.695 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)c(C)o1 ZINC001088938414 985538590 /nfs/dbraw/zinc/53/85/90/985538590.db2.gz MXAIPBOCOXUXMZ-DIFFPNOSSA-N 1 2 356.401 2.695 20 30 FFEDLO COC(C)(C)C[C@@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000172947712 985720296 /nfs/dbraw/zinc/72/02/96/985720296.db2.gz BWRYTILLQMVJHV-CYBMUJFWSA-N 1 2 356.470 2.850 20 30 FFEDLO COc1ccccc1[C@@H](C)NC(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000063457674 985835532 /nfs/dbraw/zinc/83/55/32/985835532.db2.gz XOVKEYYQSPEIQX-CYBMUJFWSA-N 1 2 359.401 2.657 20 30 FFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000063730212 986023696 /nfs/dbraw/zinc/02/36/96/986023696.db2.gz NWDTVPIJPBMLKH-UHFFFAOYSA-N 1 2 365.393 2.922 20 30 FFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000063730212 986023709 /nfs/dbraw/zinc/02/37/09/986023709.db2.gz NWDTVPIJPBMLKH-UHFFFAOYSA-N 1 2 365.393 2.922 20 30 FFEDLO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@H+](Cc3ccon3)[C@@H]2C)cc1 ZINC001089065266 986152877 /nfs/dbraw/zinc/15/28/77/986152877.db2.gz WZICATDEDXFTQR-BEFAXECRSA-N 1 2 355.438 2.561 20 30 FFEDLO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccon3)[C@@H]2C)cc1 ZINC001089065266 986152879 /nfs/dbraw/zinc/15/28/79/986152879.db2.gz WZICATDEDXFTQR-BEFAXECRSA-N 1 2 355.438 2.561 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC23CCOCC3)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001089086773 986287180 /nfs/dbraw/zinc/28/71/80/986287180.db2.gz FPCCTHSLNRIWFB-CCKFTAQKSA-N 1 2 371.456 2.593 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC23CCOCC3)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001089086773 986287192 /nfs/dbraw/zinc/28/71/92/986287192.db2.gz FPCCTHSLNRIWFB-CCKFTAQKSA-N 1 2 371.456 2.593 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000964987849 1015213210 /nfs/dbraw/zinc/21/32/10/1015213210.db2.gz UYIPTKJGYIMWBS-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000964987849 1015213214 /nfs/dbraw/zinc/21/32/14/1015213214.db2.gz UYIPTKJGYIMWBS-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO CCOC(=O)c1c(C)ccnc1C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000878801513 1015227479 /nfs/dbraw/zinc/22/74/79/1015227479.db2.gz WSTQJCXYJNEITR-SFHVURJKSA-N 1 2 353.422 2.604 20 30 FFEDLO CCOC(=O)c1c(C)ccnc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000878801513 1015227485 /nfs/dbraw/zinc/22/74/85/1015227485.db2.gz WSTQJCXYJNEITR-SFHVURJKSA-N 1 2 353.422 2.604 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001007529549 1015291935 /nfs/dbraw/zinc/29/19/35/1015291935.db2.gz LLFRCVKSUSRFDM-SUMDDJOVSA-N 1 2 359.445 2.593 20 30 FFEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001007529549 1015291940 /nfs/dbraw/zinc/29/19/40/1015291940.db2.gz LLFRCVKSUSRFDM-SUMDDJOVSA-N 1 2 359.445 2.593 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001002848773 987532670 /nfs/dbraw/zinc/53/26/70/987532670.db2.gz MFPXYWRFYPOWNX-UXHICEINSA-N 1 2 371.456 2.759 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@]2(C)C1 ZINC000993092402 987817319 /nfs/dbraw/zinc/81/73/19/987817319.db2.gz JVFXWHWNVFSDEW-YCRPNKLZSA-N 1 2 366.465 2.696 20 30 FFEDLO CN(c1cccc(F)c1C#N)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001061284129 988143872 /nfs/dbraw/zinc/14/38/72/988143872.db2.gz VZVBLAQMVGKSGA-RRFJBIMHSA-N 1 2 367.428 2.651 20 30 FFEDLO CN(c1cccc(F)c1C#N)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001061284129 988143879 /nfs/dbraw/zinc/14/38/79/988143879.db2.gz VZVBLAQMVGKSGA-RRFJBIMHSA-N 1 2 367.428 2.651 20 30 FFEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3OCC[C@H]3C)c2C1 ZINC001128494254 988602550 /nfs/dbraw/zinc/60/25/50/988602550.db2.gz LMCYZLWIJYJRPS-APWZRJJASA-N 1 2 362.518 2.710 20 30 FFEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3OCC[C@H]3C)c2C1 ZINC001128494254 988602557 /nfs/dbraw/zinc/60/25/57/988602557.db2.gz LMCYZLWIJYJRPS-APWZRJJASA-N 1 2 362.518 2.710 20 30 FFEDLO CCCC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001212209037 989099730 /nfs/dbraw/zinc/09/97/30/989099730.db2.gz LHMJFTMNADEZSF-PWIZWCRZSA-N 1 2 360.473 2.819 20 30 FFEDLO CCCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001212209037 989099736 /nfs/dbraw/zinc/09/97/36/989099736.db2.gz LHMJFTMNADEZSF-PWIZWCRZSA-N 1 2 360.473 2.819 20 30 FFEDLO C=CCCC(=O)N[C@@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001060603196 989322149 /nfs/dbraw/zinc/32/21/49/989322149.db2.gz GEQCJGPPBKQQFM-BMGDILEWSA-N 1 2 366.465 2.973 20 30 FFEDLO C=CCCC(=O)N[C@@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001060603196 989322158 /nfs/dbraw/zinc/32/21/58/989322158.db2.gz GEQCJGPPBKQQFM-BMGDILEWSA-N 1 2 366.465 2.973 20 30 FFEDLO C=CCn1c2ccccc2n(C[NH+]2CCC(NC(=O)COC)CC2)c1=S ZINC000917459131 990220147 /nfs/dbraw/zinc/22/01/47/990220147.db2.gz CRWUJPCEQLELQF-UHFFFAOYSA-N 1 2 374.510 2.543 20 30 FFEDLO Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)nn1-c1cccc(C#N)c1 ZINC000444657333 990300128 /nfs/dbraw/zinc/30/01/28/990300128.db2.gz CCRICGDRDNWZJW-QGZVFWFLSA-N 1 2 374.448 2.806 20 30 FFEDLO CO[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@H]1NC(=O)C#CC(C)C ZINC001212230995 990322569 /nfs/dbraw/zinc/32/25/69/990322569.db2.gz HIKWVMDWGMQVEZ-MORSLUCNSA-N 1 2 350.409 2.501 20 30 FFEDLO CO[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C[C@H]1NC(=O)C#CC(C)C ZINC001212230995 990322573 /nfs/dbraw/zinc/32/25/73/990322573.db2.gz HIKWVMDWGMQVEZ-MORSLUCNSA-N 1 2 350.409 2.501 20 30 FFEDLO O=C(c1ccc(C#Cc2ccccc2)cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676340872 990550647 /nfs/dbraw/zinc/55/06/47/990550647.db2.gz LVNPXRNYBVGKGU-QFIPXVFZSA-N 1 2 360.457 2.633 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(C[NH+]([C@H](C)c3ncc(C)o3)C2)CC1 ZINC001035801019 990559992 /nfs/dbraw/zinc/55/99/92/990559992.db2.gz QOKXDVLFJFSGOO-ZACQAIPSSA-N 1 2 359.470 2.560 20 30 FFEDLO N#CCc1ccc(CS(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000920616686 990886829 /nfs/dbraw/zinc/88/68/29/990886829.db2.gz VWCBJUOCECOPOJ-UHFFFAOYSA-N 1 2 370.478 2.554 20 30 FFEDLO CO[C@@H]1C[N@@H+]([C@@H](C)c2nc3ccccc3o2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212253800 991028474 /nfs/dbraw/zinc/02/84/74/991028474.db2.gz JCDFBLNKAQBTPG-YXJHDRRASA-N 1 2 369.465 2.754 20 30 FFEDLO CO[C@@H]1C[N@H+]([C@@H](C)c2nc3ccccc3o2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212253800 991028481 /nfs/dbraw/zinc/02/84/81/991028481.db2.gz JCDFBLNKAQBTPG-YXJHDRRASA-N 1 2 369.465 2.754 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccon1 ZINC001089641622 991222524 /nfs/dbraw/zinc/22/25/24/991222524.db2.gz PCDCUCQRYMRSML-KURKYZTESA-N 1 2 361.486 2.763 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccon1 ZINC001089641622 991222530 /nfs/dbraw/zinc/22/25/30/991222530.db2.gz PCDCUCQRYMRSML-KURKYZTESA-N 1 2 361.486 2.763 20 30 FFEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CCN(c2cccc(F)c2C#N)C1 ZINC001063148964 991356254 /nfs/dbraw/zinc/35/62/54/991356254.db2.gz XYWZUZVNABSETR-RBSFLKMASA-N 1 2 367.428 2.651 20 30 FFEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CCN(c2cccc(F)c2C#N)C1 ZINC001063148964 991356261 /nfs/dbraw/zinc/35/62/61/991356261.db2.gz XYWZUZVNABSETR-RBSFLKMASA-N 1 2 367.428 2.651 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCCN(c2cc[nH+]c(C)n2)C1 ZINC001063236738 991408024 /nfs/dbraw/zinc/40/80/24/991408024.db2.gz GGBAPGHHYSQYFK-LNLFQRSKSA-N 1 2 358.486 2.631 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[C@H](Nc2cc[nH+]c(C)n2)CC1 ZINC001063407272 991467577 /nfs/dbraw/zinc/46/75/77/991467577.db2.gz OERSOYOJACPFSD-DWRORGKVSA-N 1 2 358.486 2.996 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ns2)C[C@H]1OC ZINC001212337429 991725772 /nfs/dbraw/zinc/72/57/72/991725772.db2.gz NHHZJEPJSQOQDE-ZIAGYGMSSA-N 1 2 357.907 2.546 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ns2)C[C@H]1OC ZINC001212337429 991725781 /nfs/dbraw/zinc/72/57/81/991725781.db2.gz NHHZJEPJSQOQDE-ZIAGYGMSSA-N 1 2 357.907 2.546 20 30 FFEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2scnc2CC)C1 ZINC001079136975 991826880 /nfs/dbraw/zinc/82/68/80/991826880.db2.gz NICJZPGNRKZWPZ-QZTJIDSGSA-N 1 2 371.506 2.579 20 30 FFEDLO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2scnc2CC)C1 ZINC001079136975 991826883 /nfs/dbraw/zinc/82/68/83/991826883.db2.gz NICJZPGNRKZWPZ-QZTJIDSGSA-N 1 2 371.506 2.579 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1[nH]nc2c1cccc2C ZINC001137146424 1015666164 /nfs/dbraw/zinc/66/61/64/1015666164.db2.gz KQSPSCQFJQYMHY-SFHVURJKSA-N 1 2 351.454 2.907 20 30 FFEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1[nH]nc2c1cccc2C ZINC001137146424 1015666167 /nfs/dbraw/zinc/66/61/67/1015666167.db2.gz KQSPSCQFJQYMHY-SFHVURJKSA-N 1 2 351.454 2.907 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)on2)CC1(C)C ZINC000940752432 992139203 /nfs/dbraw/zinc/13/92/03/992139203.db2.gz CHAOXVYTBFKWRO-FGTMMUONSA-N 1 2 361.486 2.681 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C)on2)CC1(C)C ZINC000940752432 992139207 /nfs/dbraw/zinc/13/92/07/992139207.db2.gz CHAOXVYTBFKWRO-FGTMMUONSA-N 1 2 361.486 2.681 20 30 FFEDLO Cc1nscc1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001079597088 992247466 /nfs/dbraw/zinc/24/74/66/992247466.db2.gz CQPKPVNANWQSMX-PIGZYNQJSA-N 1 2 358.442 2.713 20 30 FFEDLO Cc1nscc1C(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001079597088 992247471 /nfs/dbraw/zinc/24/74/71/992247471.db2.gz CQPKPVNANWQSMX-PIGZYNQJSA-N 1 2 358.442 2.713 20 30 FFEDLO CCc1ncsc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001079812959 992444450 /nfs/dbraw/zinc/44/44/50/992444450.db2.gz IXPZXAARLFNXPA-IAQYHMDHSA-N 1 2 360.508 2.889 20 30 FFEDLO CCc1ncsc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001079812959 992444454 /nfs/dbraw/zinc/44/44/54/992444454.db2.gz IXPZXAARLFNXPA-IAQYHMDHSA-N 1 2 360.508 2.889 20 30 FFEDLO Cc1noc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)c1C ZINC001079928187 992579535 /nfs/dbraw/zinc/57/95/35/992579535.db2.gz TXLWJBFKEROEON-FZKQIMNGSA-N 1 2 355.413 2.532 20 30 FFEDLO Cc1noc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)c1C ZINC001079928187 992579548 /nfs/dbraw/zinc/57/95/48/992579548.db2.gz TXLWJBFKEROEON-FZKQIMNGSA-N 1 2 355.413 2.532 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(COC)c2)C1 ZINC001080063212 992697532 /nfs/dbraw/zinc/69/75/32/992697532.db2.gz XFAPEBBBOGORKF-MLGOLLRUSA-N 1 2 367.287 2.792 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(COC)c2)C1 ZINC001080063212 992697537 /nfs/dbraw/zinc/69/75/37/992697537.db2.gz XFAPEBBBOGORKF-MLGOLLRUSA-N 1 2 367.287 2.792 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC001080478259 993089219 /nfs/dbraw/zinc/08/92/19/993089219.db2.gz ODJGGFQWNLYRPD-QMTHXVAHSA-N 1 2 350.875 2.941 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC001080478259 993089226 /nfs/dbraw/zinc/08/92/26/993089226.db2.gz ODJGGFQWNLYRPD-QMTHXVAHSA-N 1 2 350.875 2.941 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1coc(C2CC2)n1 ZINC001080568913 993148386 /nfs/dbraw/zinc/14/83/86/993148386.db2.gz LKXWJQOXNJSRKH-SJKOYZFVSA-N 1 2 368.412 2.813 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1coc(C2CC2)n1 ZINC001080568913 993148391 /nfs/dbraw/zinc/14/83/91/993148391.db2.gz LKXWJQOXNJSRKH-SJKOYZFVSA-N 1 2 368.412 2.813 20 30 FFEDLO CCn1cnc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]2C)c1 ZINC001080791096 993376628 /nfs/dbraw/zinc/37/66/28/993376628.db2.gz WOUJSPGICNRQEA-CRAIPNDOSA-N 1 2 370.884 2.658 20 30 FFEDLO CCn1cnc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]2C)c1 ZINC001080791096 993376632 /nfs/dbraw/zinc/37/66/32/993376632.db2.gz WOUJSPGICNRQEA-CRAIPNDOSA-N 1 2 370.884 2.658 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)s1 ZINC001080911561 993470736 /nfs/dbraw/zinc/47/07/36/993470736.db2.gz COBKUWVRESMICO-SJKOYZFVSA-N 1 2 354.479 2.882 20 30 FFEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)s1 ZINC001080911561 993470740 /nfs/dbraw/zinc/47/07/40/993470740.db2.gz COBKUWVRESMICO-SJKOYZFVSA-N 1 2 354.479 2.882 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001080926849 993482534 /nfs/dbraw/zinc/48/25/34/993482534.db2.gz JYAIFXYBRJCXNZ-KZULUSFZSA-N 1 2 370.428 2.807 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001080926849 993482539 /nfs/dbraw/zinc/48/25/39/993482539.db2.gz JYAIFXYBRJCXNZ-KZULUSFZSA-N 1 2 370.428 2.807 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C1CCCCC1 ZINC001081288015 993786118 /nfs/dbraw/zinc/78/61/18/993786118.db2.gz WDSJFZKOASEBBK-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C1CCCCC1 ZINC001081288015 993786125 /nfs/dbraw/zinc/78/61/25/993786125.db2.gz WDSJFZKOASEBBK-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C1(C)CCCC1 ZINC001081997589 994094402 /nfs/dbraw/zinc/09/44/02/994094402.db2.gz GUVJEBHBRLZVNA-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C1(C)CCCC1 ZINC001081997589 994094412 /nfs/dbraw/zinc/09/44/12/994094412.db2.gz GUVJEBHBRLZVNA-QZTJIDSGSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C1CC2(CCC2)C1 ZINC001082041305 994115192 /nfs/dbraw/zinc/11/51/92/994115192.db2.gz SDKSJWZIJNDRRO-RTBURBONSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C1CC2(CCC2)C1 ZINC001082041305 994115196 /nfs/dbraw/zinc/11/51/96/994115196.db2.gz SDKSJWZIJNDRRO-RTBURBONSA-N 1 2 371.456 2.593 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001082098733 994157111 /nfs/dbraw/zinc/15/71/11/994157111.db2.gz RLFWRANIWMCEAF-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001082098733 994157117 /nfs/dbraw/zinc/15/71/17/994157117.db2.gz RLFWRANIWMCEAF-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001082144775 994205821 /nfs/dbraw/zinc/20/58/21/994205821.db2.gz FWWIVBNLQZIYDG-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C=CCC1(C(=O)NC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001082144775 994205830 /nfs/dbraw/zinc/20/58/30/994205830.db2.gz FWWIVBNLQZIYDG-GVDBMIGSSA-N 1 2 370.497 2.757 20 30 FFEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000880481200 1015847766 /nfs/dbraw/zinc/84/77/66/1015847766.db2.gz OBZFABFVPMOGJO-MRXNPFEDSA-N 1 2 371.506 2.727 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CC12CCCC2 ZINC001082302186 994347400 /nfs/dbraw/zinc/34/74/00/994347400.db2.gz CJJMRKDNALJIIC-XUVXKRRUSA-N 1 2 370.468 2.573 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CC12CCCC2 ZINC001082302186 994347410 /nfs/dbraw/zinc/34/74/10/994347410.db2.gz CJJMRKDNALJIIC-XUVXKRRUSA-N 1 2 370.468 2.573 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001082380424 994528232 /nfs/dbraw/zinc/52/82/32/994528232.db2.gz QBSRRDDFQZZTSD-XPNTWCBSSA-N 1 2 366.505 2.990 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001082380424 994528241 /nfs/dbraw/zinc/52/82/41/994528241.db2.gz QBSRRDDFQZZTSD-XPNTWCBSSA-N 1 2 366.505 2.990 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cc(C2CC2)n[nH]1 ZINC001097908096 1015890654 /nfs/dbraw/zinc/89/06/54/1015890654.db2.gz QNYNODLKXTZOQB-QFUCXCTJSA-N 1 2 360.461 2.674 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cc(C2CC2)n[nH]1 ZINC001097908096 1015890668 /nfs/dbraw/zinc/89/06/68/1015890668.db2.gz QNYNODLKXTZOQB-QFUCXCTJSA-N 1 2 360.461 2.674 20 30 FFEDLO COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000810532387 994813325 /nfs/dbraw/zinc/81/33/25/994813325.db2.gz DFIGFTQUPYXCEF-DNVCBOLYSA-N 1 2 361.417 2.555 20 30 FFEDLO COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC000810532387 994813333 /nfs/dbraw/zinc/81/33/33/994813333.db2.gz DFIGFTQUPYXCEF-DNVCBOLYSA-N 1 2 361.417 2.555 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)c3nc(C4CC4)no3)C2)cc1 ZINC001082678715 995255424 /nfs/dbraw/zinc/25/54/24/995255424.db2.gz NMPMOXNHUFUUFZ-HBUWYVDXSA-N 1 2 364.449 2.740 20 30 FFEDLO C#CCC[C@H](O)CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000812967212 995586901 /nfs/dbraw/zinc/58/69/01/995586901.db2.gz CMZWPTKVTUWGDQ-SFHVURJKSA-N 1 2 352.438 2.782 20 30 FFEDLO O=C(CC1CCCCC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001082993384 995986610 /nfs/dbraw/zinc/98/66/10/995986610.db2.gz UYSUENINCOGABG-FCHUYYIVSA-N 1 2 366.505 2.920 20 30 FFEDLO O=C(CC1CCCCC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001082993384 995986615 /nfs/dbraw/zinc/98/66/15/995986615.db2.gz UYSUENINCOGABG-FCHUYYIVSA-N 1 2 366.505 2.920 20 30 FFEDLO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3snc(Cl)c3Cl)[C@H]2C1 ZINC001083094738 996080995 /nfs/dbraw/zinc/08/09/95/996080995.db2.gz USYNIPNBFMXJPQ-VHSXEESVSA-N 1 2 362.282 2.551 20 30 FFEDLO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3snc(Cl)c3Cl)[C@H]2C1 ZINC001083094738 996080999 /nfs/dbraw/zinc/08/09/99/996080999.db2.gz USYNIPNBFMXJPQ-VHSXEESVSA-N 1 2 362.282 2.551 20 30 FFEDLO CCN(CCC#N)C(=O)COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001116115759 1032135079 /nfs/dbraw/zinc/13/50/79/1032135079.db2.gz SEUCYEQOCBKBQU-IBGZPJMESA-N 1 2 371.481 2.655 20 30 FFEDLO CCN(CCC#N)C(=O)COC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001116115759 1032135091 /nfs/dbraw/zinc/13/50/91/1032135091.db2.gz SEUCYEQOCBKBQU-IBGZPJMESA-N 1 2 371.481 2.655 20 30 FFEDLO COc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1C#N ZINC000880875762 1016013737 /nfs/dbraw/zinc/01/37/37/1016013737.db2.gz CLDQRTFKFTVIBS-OAHLLOKOSA-N 1 2 365.437 2.873 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)n1C ZINC001084187440 996318083 /nfs/dbraw/zinc/31/80/83/996318083.db2.gz ULYNWTWTTWHOBZ-WIYYLYMNSA-N 1 2 365.452 2.671 20 30 FFEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)n1C ZINC001084187440 996318088 /nfs/dbraw/zinc/31/80/88/996318088.db2.gz ULYNWTWTTWHOBZ-WIYYLYMNSA-N 1 2 365.452 2.671 20 30 FFEDLO CS[C@H](C)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084205120 996339380 /nfs/dbraw/zinc/33/93/80/996339380.db2.gz OAMISMAJKPULGP-QGPMSJSTSA-N 1 2 362.926 2.976 20 30 FFEDLO CS[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084205120 996339382 /nfs/dbraw/zinc/33/93/82/996339382.db2.gz OAMISMAJKPULGP-QGPMSJSTSA-N 1 2 362.926 2.976 20 30 FFEDLO CC[C@H](OC)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084226351 996375451 /nfs/dbraw/zinc/37/54/51/996375451.db2.gz OWGMMUILMDTHBA-QRQLOZEOSA-N 1 2 360.885 2.649 20 30 FFEDLO CC[C@H](OC)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084226351 996375459 /nfs/dbraw/zinc/37/54/59/996375459.db2.gz OWGMMUILMDTHBA-QRQLOZEOSA-N 1 2 360.885 2.649 20 30 FFEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cccc(F)c4F)C[C@H]32)[nH]1 ZINC001084288225 996393909 /nfs/dbraw/zinc/39/39/09/996393909.db2.gz LVQPYHHYVZODDB-SJKOYZFVSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(F)c4F)C[C@H]32)[nH]1 ZINC001084288225 996393913 /nfs/dbraw/zinc/39/39/13/996393913.db2.gz LVQPYHHYVZODDB-SJKOYZFVSA-N 1 2 356.376 2.511 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccc(F)cn4)[C@@H]3C2)c1 ZINC001084295603 996401989 /nfs/dbraw/zinc/40/19/89/996401989.db2.gz BWVOHTASWUUEPS-AUUYWEPGSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(F)cn4)[C@@H]3C2)c1 ZINC001084295603 996401992 /nfs/dbraw/zinc/40/19/92/996401992.db2.gz BWVOHTASWUUEPS-AUUYWEPGSA-N 1 2 368.387 2.578 20 30 FFEDLO Cc1[nH]ccc1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084267372 996411921 /nfs/dbraw/zinc/41/19/21/996411921.db2.gz UGSBAQLGKOCOKA-DNVCBOLYSA-N 1 2 352.413 2.680 20 30 FFEDLO Cc1[nH]ccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084267372 996411922 /nfs/dbraw/zinc/41/19/22/996411922.db2.gz UGSBAQLGKOCOKA-DNVCBOLYSA-N 1 2 352.413 2.680 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)/C=C\c4ccc[nH]4)[C@@H]3C2)c1 ZINC001084305610 996437425 /nfs/dbraw/zinc/43/74/25/996437425.db2.gz RJXZULTWHGUILD-ICSZUSJISA-N 1 2 364.424 2.772 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)/C=C\c4ccc[nH]4)[C@@H]3C2)c1 ZINC001084305610 996437430 /nfs/dbraw/zinc/43/74/30/996437430.db2.gz RJXZULTWHGUILD-ICSZUSJISA-N 1 2 364.424 2.772 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)C4(C(F)F)CC4)[C@@H]3C2)c1 ZINC001084342237 996464586 /nfs/dbraw/zinc/46/45/86/996464586.db2.gz PVEZHBULTWZPCG-CZUORRHYSA-N 1 2 363.383 2.775 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C4(C(F)F)CC4)[C@@H]3C2)c1 ZINC001084342237 996464589 /nfs/dbraw/zinc/46/45/89/996464589.db2.gz PVEZHBULTWZPCG-CZUORRHYSA-N 1 2 363.383 2.775 20 30 FFEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000803667393 1016042586 /nfs/dbraw/zinc/04/25/86/1016042586.db2.gz STUYWIPJZPWWEE-UHFFFAOYSA-N 1 2 367.449 2.538 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4cc(C)ccc4O3)[C@@H]2C1 ZINC001084517895 996638537 /nfs/dbraw/zinc/63/85/37/996638537.db2.gz BQAWHEKRJCMANT-ZHALLVOQSA-N 1 2 360.885 2.974 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4cc(C)ccc4O3)[C@@H]2C1 ZINC001084517895 996638538 /nfs/dbraw/zinc/63/85/38/996638538.db2.gz BQAWHEKRJCMANT-ZHALLVOQSA-N 1 2 360.885 2.974 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Oc3ccc(OC)cc3)[C@@H]2C1 ZINC001084562253 996691260 /nfs/dbraw/zinc/69/12/60/996691260.db2.gz KTBBHKJTDMMHCW-IIDMSEBBSA-N 1 2 364.873 2.748 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Oc3ccc(OC)cc3)[C@@H]2C1 ZINC001084562253 996691263 /nfs/dbraw/zinc/69/12/63/996691263.db2.gz KTBBHKJTDMMHCW-IIDMSEBBSA-N 1 2 364.873 2.748 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccc(C)c(C)c3)C[C@H]21 ZINC001084578241 996692910 /nfs/dbraw/zinc/69/29/10/996692910.db2.gz RMEMZZRCIJTFTF-IEBWSBKVSA-N 1 2 369.509 2.987 20 30 FFEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccc(C)c(C)c3)C[C@H]21 ZINC001084578241 996692917 /nfs/dbraw/zinc/69/29/17/996692917.db2.gz RMEMZZRCIJTFTF-IEBWSBKVSA-N 1 2 369.509 2.987 20 30 FFEDLO O=C(N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21)C1(CF)CC1 ZINC001084650780 996762087 /nfs/dbraw/zinc/76/20/87/996762087.db2.gz MRDOWIOEKINJSV-SJLPKXTDSA-N 1 2 360.860 2.974 20 30 FFEDLO O=C(N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21)C1(CF)CC1 ZINC001084650780 996762088 /nfs/dbraw/zinc/76/20/88/996762088.db2.gz MRDOWIOEKINJSV-SJLPKXTDSA-N 1 2 360.860 2.974 20 30 FFEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000730147296 996895019 /nfs/dbraw/zinc/89/50/19/996895019.db2.gz ARMNLSRNEKYPSO-UHFFFAOYSA-N 1 2 368.462 2.743 20 30 FFEDLO CC(C)C[C@H](C(=O)N1CCC[C@](C#N)(c2ccccn2)C1)n1cc[nH+]c1 ZINC000824395466 996929334 /nfs/dbraw/zinc/92/93/34/996929334.db2.gz JAMKONBJCPUPKG-YLJYHZDGSA-N 1 2 351.454 2.949 20 30 FFEDLO CCOC(=O)c1c(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)cnn1C ZINC001136912546 997024047 /nfs/dbraw/zinc/02/40/47/997024047.db2.gz RUNPYPPZOPTMKV-GOSISDBHSA-N 1 2 368.437 2.512 20 30 FFEDLO CCOC(=O)c1c(C[N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)cnn1C ZINC001136912546 997024054 /nfs/dbraw/zinc/02/40/54/997024054.db2.gz RUNPYPPZOPTMKV-GOSISDBHSA-N 1 2 368.437 2.512 20 30 FFEDLO Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4cccc(Cl)c4)C[C@H]32)n1 ZINC001084712002 997028552 /nfs/dbraw/zinc/02/85/52/997028552.db2.gz MBULYSZWMUZDEB-SJLPKXTDSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4cccc(Cl)c4)C[C@H]32)n1 ZINC001084712002 997028564 /nfs/dbraw/zinc/02/85/64/997028564.db2.gz MBULYSZWMUZDEB-SJLPKXTDSA-N 1 2 368.868 2.570 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cccn4ccnc34)[C@@H]2C1 ZINC001084719041 997046866 /nfs/dbraw/zinc/04/68/66/997046866.db2.gz ZPTNUIULHMNZAU-UYAOXDASSA-N 1 2 371.444 2.552 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccn4ccnc34)[C@@H]2C1 ZINC001084719041 997046879 /nfs/dbraw/zinc/04/68/79/997046879.db2.gz ZPTNUIULHMNZAU-UYAOXDASSA-N 1 2 371.444 2.552 20 30 FFEDLO COc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)o1 ZINC001084737080 997124903 /nfs/dbraw/zinc/12/49/03/997124903.db2.gz QTYWJOWKMVJFRI-IUODEOHRSA-N 1 2 357.435 2.568 20 30 FFEDLO COc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)o1 ZINC001084737080 997124912 /nfs/dbraw/zinc/12/49/12/997124912.db2.gz QTYWJOWKMVJFRI-IUODEOHRSA-N 1 2 357.435 2.568 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4c3OCCCO4)[C@@H]2C1 ZINC001084740197 997147493 /nfs/dbraw/zinc/14/74/93/997147493.db2.gz XUIHWGGNGPPVEM-GDBMZVCRSA-N 1 2 362.857 2.747 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4c3OCCCO4)[C@@H]2C1 ZINC001084740197 997147500 /nfs/dbraw/zinc/14/75/00/997147500.db2.gz XUIHWGGNGPPVEM-GDBMZVCRSA-N 1 2 362.857 2.747 20 30 FFEDLO Cc1conc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084760267 997233780 /nfs/dbraw/zinc/23/37/80/997233780.db2.gz AVHLYGIELMGPLX-SJLPKXTDSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1conc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084760267 997233791 /nfs/dbraw/zinc/23/37/91/997233791.db2.gz AVHLYGIELMGPLX-SJLPKXTDSA-N 1 2 369.852 2.834 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ncccc3Cl)[C@@H]2C1 ZINC001084786392 997374325 /nfs/dbraw/zinc/37/43/25/997374325.db2.gz MTOKYPFTOMRFHX-SJLPKXTDSA-N 1 2 366.852 2.953 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ncccc3Cl)[C@@H]2C1 ZINC001084786392 997374337 /nfs/dbraw/zinc/37/43/37/997374337.db2.gz MTOKYPFTOMRFHX-SJLPKXTDSA-N 1 2 366.852 2.953 20 30 FFEDLO CC[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H](C)CO1 ZINC000844390359 997852053 /nfs/dbraw/zinc/85/20/53/997852053.db2.gz GSZUUYQUWSVZMQ-BMFZPTHFSA-N 1 2 350.422 2.723 20 30 FFEDLO CC[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H](C)CO1 ZINC000844390359 997852064 /nfs/dbraw/zinc/85/20/64/997852064.db2.gz GSZUUYQUWSVZMQ-BMFZPTHFSA-N 1 2 350.422 2.723 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001056682738 1016184566 /nfs/dbraw/zinc/18/45/66/1016184566.db2.gz LGBPYCWQTMJFRE-BVIKNXMNSA-N 1 2 370.497 2.565 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001056682738 1016184571 /nfs/dbraw/zinc/18/45/71/1016184571.db2.gz LGBPYCWQTMJFRE-BVIKNXMNSA-N 1 2 370.497 2.565 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C(F)C(F)(F)F)C[C@@H]32)cc1 ZINC001084945444 998261853 /nfs/dbraw/zinc/26/18/53/998261853.db2.gz AROBLFQLLNSVPN-OWCLPIDISA-N 1 2 369.362 2.881 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C(F)C(F)(F)F)C[C@@H]32)cc1 ZINC001084945444 998261859 /nfs/dbraw/zinc/26/18/59/998261859.db2.gz AROBLFQLLNSVPN-OWCLPIDISA-N 1 2 369.362 2.881 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N(CCC)CCC)cc1 ZINC000732059128 998434420 /nfs/dbraw/zinc/43/44/20/998434420.db2.gz SAACUJKDYJCSMP-IBGZPJMESA-N 1 2 355.482 2.985 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N(CCC)CCC)cc1 ZINC000732059128 998434425 /nfs/dbraw/zinc/43/44/25/998434425.db2.gz SAACUJKDYJCSMP-IBGZPJMESA-N 1 2 355.482 2.985 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000732066998 998439021 /nfs/dbraw/zinc/43/90/21/998439021.db2.gz XQMDMICKEGUMOB-NRFANRHFSA-N 1 2 373.456 2.926 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000732066998 998439026 /nfs/dbraw/zinc/43/90/26/998439026.db2.gz XQMDMICKEGUMOB-NRFANRHFSA-N 1 2 373.456 2.926 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001000073101 1016222118 /nfs/dbraw/zinc/22/21/18/1016222118.db2.gz OWSARBPQIJPKAO-OAOYMFHYSA-N 1 2 370.497 2.583 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001000073101 1016222128 /nfs/dbraw/zinc/22/21/28/1016222128.db2.gz OWSARBPQIJPKAO-OAOYMFHYSA-N 1 2 370.497 2.583 20 30 FFEDLO COc1cc(S(C)(=O)=O)ccc1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171182430 998545931 /nfs/dbraw/zinc/54/59/31/998545931.db2.gz NPQDUENWKADFLD-UHFFFAOYSA-N 1 2 370.430 2.995 20 30 FFEDLO C#Cc1ccc(C[N@@H+](CCCNC(=O)OC(C)(C)C)CC(=O)OCC)cc1 ZINC001144578898 998654973 /nfs/dbraw/zinc/65/49/73/998654973.db2.gz SLPWKHVGOGTCTN-UHFFFAOYSA-N 1 2 374.481 2.948 20 30 FFEDLO C#Cc1ccc(C[N@H+](CCCNC(=O)OC(C)(C)C)CC(=O)OCC)cc1 ZINC001144578898 998654977 /nfs/dbraw/zinc/65/49/77/998654977.db2.gz SLPWKHVGOGTCTN-UHFFFAOYSA-N 1 2 374.481 2.948 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ncc2n1CCCC2 ZINC001096574649 1016264818 /nfs/dbraw/zinc/26/48/18/1016264818.db2.gz FDOGZRWRUQDTNY-GIVPXCGWSA-N 1 2 374.488 2.606 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ncc2n1CCCC2 ZINC001096574649 1016264823 /nfs/dbraw/zinc/26/48/23/1016264823.db2.gz FDOGZRWRUQDTNY-GIVPXCGWSA-N 1 2 374.488 2.606 20 30 FFEDLO CCC[C@@H]1C[C@H]1C(=O)NC[C@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108197007 999126005 /nfs/dbraw/zinc/12/60/05/999126005.db2.gz FJSXXEDRQKYSGD-SFHLNBCPSA-N 1 2 355.482 2.702 20 30 FFEDLO CCC[C@@H]1C[C@H]1C(=O)NC[C@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108197007 999126008 /nfs/dbraw/zinc/12/60/08/999126008.db2.gz FJSXXEDRQKYSGD-SFHLNBCPSA-N 1 2 355.482 2.702 20 30 FFEDLO NC(=NOCc1ccc2c(c1)CCC2)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000734483600 999296459 /nfs/dbraw/zinc/29/64/59/999296459.db2.gz MBWSRRMURHHZHE-UHFFFAOYSA-N 1 2 365.477 2.845 20 30 FFEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001085604763 999592353 /nfs/dbraw/zinc/59/23/53/999592353.db2.gz RIGVIJXCDIYGGD-FDFHNCONSA-N 1 2 359.473 2.770 20 30 FFEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001085604763 999592360 /nfs/dbraw/zinc/59/23/60/999592360.db2.gz RIGVIJXCDIYGGD-FDFHNCONSA-N 1 2 359.473 2.770 20 30 FFEDLO CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108226462 999698313 /nfs/dbraw/zinc/69/83/13/999698313.db2.gz VRGGPFVORPLDLS-SJBKTWHCSA-N 1 2 369.509 2.948 20 30 FFEDLO CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108226462 999698315 /nfs/dbraw/zinc/69/83/15/999698315.db2.gz VRGGPFVORPLDLS-SJBKTWHCSA-N 1 2 369.509 2.948 20 30 FFEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000741147936 999711488 /nfs/dbraw/zinc/71/14/88/999711488.db2.gz FOPQFFCILBBHEK-LJQANCHMSA-N 1 2 371.481 2.968 20 30 FFEDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000741147936 999711490 /nfs/dbraw/zinc/71/14/90/999711490.db2.gz FOPQFFCILBBHEK-LJQANCHMSA-N 1 2 371.481 2.968 20 30 FFEDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC000741249102 999715778 /nfs/dbraw/zinc/71/57/78/999715778.db2.gz RKJZKBQWCBXLHF-FQEVSTJZSA-N 1 2 350.418 2.989 20 30 FFEDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC000741249102 999715779 /nfs/dbraw/zinc/71/57/79/999715779.db2.gz RKJZKBQWCBXLHF-FQEVSTJZSA-N 1 2 350.418 2.989 20 30 FFEDLO C=CCN(C(=O)NCc1ccccc1OCC[NH+]1CCOCC1)C(C)C ZINC000744868950 999880346 /nfs/dbraw/zinc/88/03/46/999880346.db2.gz LXFRBOCSUKPWPH-UHFFFAOYSA-N 1 2 361.486 2.504 20 30 FFEDLO CCOc1cc(C[N@H+](CCC#N)CC(C)C)nc2nc(C(F)(F)F)nn21 ZINC000766898027 1000091342 /nfs/dbraw/zinc/09/13/42/1000091342.db2.gz XTCMZVQKTPSEGA-UHFFFAOYSA-N 1 2 370.379 2.913 20 30 FFEDLO CCOc1cc(C[N@@H+](CCC#N)CC(C)C)nc2nc(C(F)(F)F)nn21 ZINC000766898027 1000091344 /nfs/dbraw/zinc/09/13/44/1000091344.db2.gz XTCMZVQKTPSEGA-UHFFFAOYSA-N 1 2 370.379 2.913 20 30 FFEDLO N#Cc1cccc(OCCCCC(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000767551174 1000124449 /nfs/dbraw/zinc/12/44/49/1000124449.db2.gz WZWHGQNZANONQO-KDURUIRLSA-N 1 2 358.438 2.514 20 30 FFEDLO N#Cc1cccc(OCCCCC(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000767551174 1000124451 /nfs/dbraw/zinc/12/44/51/1000124451.db2.gz WZWHGQNZANONQO-KDURUIRLSA-N 1 2 358.438 2.514 20 30 FFEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1Cl ZINC001108947400 1000137435 /nfs/dbraw/zinc/13/74/35/1000137435.db2.gz RITXYKCDRXXVND-KBMXLJTQSA-N 1 2 367.877 2.957 20 30 FFEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1Cl ZINC001108947400 1000137436 /nfs/dbraw/zinc/13/74/36/1000137436.db2.gz RITXYKCDRXXVND-KBMXLJTQSA-N 1 2 367.877 2.957 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(Cl)ccc1F ZINC001109072681 1000161873 /nfs/dbraw/zinc/16/18/73/1000161873.db2.gz MSSNEGBHNGJEEV-PVAVHDDUSA-N 1 2 352.837 2.903 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(Cl)ccc1F ZINC001109072681 1000161875 /nfs/dbraw/zinc/16/18/75/1000161875.db2.gz MSSNEGBHNGJEEV-PVAVHDDUSA-N 1 2 352.837 2.903 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nnc(-c2ccccc2)o1 ZINC001109204493 1000185949 /nfs/dbraw/zinc/18/59/49/1000185949.db2.gz QSHHEYPKEVSXFN-SQNIBIBYSA-N 1 2 364.449 2.762 20 30 FFEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nnc(-c2ccccc2)o1 ZINC001109204493 1000185950 /nfs/dbraw/zinc/18/59/50/1000185950.db2.gz QSHHEYPKEVSXFN-SQNIBIBYSA-N 1 2 364.449 2.762 20 30 FFEDLO C#CCOc1ccccc1C[N@H+](CC)CC(=O)NCc1ccc(F)cc1 ZINC000768162726 1000187821 /nfs/dbraw/zinc/18/78/21/1000187821.db2.gz GSBYULQRQPUTHT-UHFFFAOYSA-N 1 2 354.425 2.976 20 30 FFEDLO C#CCOc1ccccc1C[N@@H+](CC)CC(=O)NCc1ccc(F)cc1 ZINC000768162726 1000187824 /nfs/dbraw/zinc/18/78/24/1000187824.db2.gz GSBYULQRQPUTHT-UHFFFAOYSA-N 1 2 354.425 2.976 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCCCCCC1 ZINC001109260823 1000205514 /nfs/dbraw/zinc/20/55/14/1000205514.db2.gz OHSMBDVFORCNFW-QYZOEREBSA-N 1 2 373.541 2.550 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCCCCCC1 ZINC001109260823 1000205518 /nfs/dbraw/zinc/20/55/18/1000205518.db2.gz OHSMBDVFORCNFW-QYZOEREBSA-N 1 2 373.541 2.550 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cc(C)ccc1F)C2 ZINC001109292740 1000237141 /nfs/dbraw/zinc/23/71/41/1000237141.db2.gz DEGNCBYQXFIDNO-KBMXLJTQSA-N 1 2 352.837 2.987 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cc(C)ccc1F)C2 ZINC001109292740 1000237146 /nfs/dbraw/zinc/23/71/46/1000237146.db2.gz DEGNCBYQXFIDNO-KBMXLJTQSA-N 1 2 352.837 2.987 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(OC)nc1C ZINC001109328836 1000277753 /nfs/dbraw/zinc/27/77/53/1000277753.db2.gz DJOMLJQRFPVMMK-QYZOEREBSA-N 1 2 370.497 2.784 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(OC)nc1C ZINC001109328836 1000277757 /nfs/dbraw/zinc/27/77/57/1000277757.db2.gz DJOMLJQRFPVMMK-QYZOEREBSA-N 1 2 370.497 2.784 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1)OCC ZINC001109357416 1000302950 /nfs/dbraw/zinc/30/29/50/1000302950.db2.gz GSHPVVJVIDDZIV-XWSJACJDSA-N 1 2 361.461 2.814 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1)OCC ZINC001109357416 1000302953 /nfs/dbraw/zinc/30/29/53/1000302953.db2.gz GSHPVVJVIDDZIV-XWSJACJDSA-N 1 2 361.461 2.814 20 30 FFEDLO CN(C)c1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1F ZINC000768801657 1000341790 /nfs/dbraw/zinc/34/17/90/1000341790.db2.gz UEMJSVYAISJAJV-UHFFFAOYSA-N 1 2 369.444 2.951 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2CCCC[C@H]2Nc2cc[nH+]c(C)n2)CCOCC1 ZINC001091272246 1000350360 /nfs/dbraw/zinc/35/03/60/1000350360.db2.gz WWWHQDPXSMXCNJ-IAGOWNOFSA-N 1 2 358.486 2.997 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccnc2OC)CCC1 ZINC001109392293 1000371055 /nfs/dbraw/zinc/37/10/55/1000371055.db2.gz YZVUYYSCHJRHIG-SQNIBIBYSA-N 1 2 353.466 2.505 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccnc2OC)CCC1 ZINC001109392293 1000371062 /nfs/dbraw/zinc/37/10/62/1000371062.db2.gz YZVUYYSCHJRHIG-SQNIBIBYSA-N 1 2 353.466 2.505 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001091289115 1000376132 /nfs/dbraw/zinc/37/61/32/1000376132.db2.gz VSPYVTBBEWRPMU-HUUCEWRRSA-N 1 2 356.474 2.805 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001091296298 1000382499 /nfs/dbraw/zinc/38/24/99/1000382499.db2.gz XWHKAMZJUAZCCI-HUUCEWRRSA-N 1 2 356.474 2.805 20 30 FFEDLO CCOCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)CC1 ZINC001109465250 1000512962 /nfs/dbraw/zinc/51/29/62/1000512962.db2.gz SWLDNFGJRUWSJV-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO CCOCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)CC1 ZINC001109465250 1000512965 /nfs/dbraw/zinc/51/29/65/1000512965.db2.gz SWLDNFGJRUWSJV-NEWSRXKRSA-N 1 2 371.456 2.736 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000769754797 1000589557 /nfs/dbraw/zinc/58/95/57/1000589557.db2.gz ZUSMQQCIGVLNOP-HKUYNNGSSA-N 1 2 363.465 2.667 20 30 FFEDLO Cn1ncc2c1nc(N=NC1CCCC[C@H]1[NH+]1CCCCCC1)[nH]c2=O ZINC000769817987 1000598244 /nfs/dbraw/zinc/59/82/44/1000598244.db2.gz CKJMIQOXDBGHHL-OAHLLOKOSA-N 1 2 357.462 2.655 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)N(C)c1ccccc1 ZINC001109605465 1000715446 /nfs/dbraw/zinc/71/54/46/1000715446.db2.gz CUOYJOOQNPNMSA-NQYYFHDYSA-N 1 2 369.509 2.972 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)N(C)c1ccccc1 ZINC001109605465 1000715450 /nfs/dbraw/zinc/71/54/50/1000715450.db2.gz CUOYJOOQNPNMSA-NQYYFHDYSA-N 1 2 369.509 2.972 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1C ZINC001109605832 1000715469 /nfs/dbraw/zinc/71/54/69/1000715469.db2.gz TVWOYOLRNYYCAO-QYZOEREBSA-N 1 2 369.509 2.545 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1C ZINC001109605832 1000715472 /nfs/dbraw/zinc/71/54/72/1000715472.db2.gz TVWOYOLRNYYCAO-QYZOEREBSA-N 1 2 369.509 2.545 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C(F)(F)F ZINC001109615858 1000732716 /nfs/dbraw/zinc/73/27/16/1000732716.db2.gz UCUBPJNRBCDLLF-MWNCTCPHSA-N 1 2 351.372 2.978 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C(F)(F)F ZINC001109615858 1000732722 /nfs/dbraw/zinc/73/27/22/1000732722.db2.gz UCUBPJNRBCDLLF-MWNCTCPHSA-N 1 2 351.372 2.978 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)C(C)C)CC1 ZINC001109674427 1000831631 /nfs/dbraw/zinc/83/16/31/1000831631.db2.gz IMILWBOGTBSTQC-YSHGAJCASA-N 1 2 361.530 2.615 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)C(C)C)CC1 ZINC001109674427 1000831636 /nfs/dbraw/zinc/83/16/36/1000831636.db2.gz IMILWBOGTBSTQC-YSHGAJCASA-N 1 2 361.530 2.615 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001109997332 1001261852 /nfs/dbraw/zinc/26/18/52/1001261852.db2.gz JQBGMDVQPUZEJO-SQNIBIBYSA-N 1 2 370.497 2.950 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)cn2)CCOCC1 ZINC001110047146 1001376656 /nfs/dbraw/zinc/37/66/56/1001376656.db2.gz OOMWTUHBKQVHRU-QYZOEREBSA-N 1 2 373.472 2.815 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)cn2)CCOCC1 ZINC001110047146 1001376663 /nfs/dbraw/zinc/37/66/63/1001376663.db2.gz OOMWTUHBKQVHRU-QYZOEREBSA-N 1 2 373.472 2.815 20 30 FFEDLO C=C(C)COc1ccccc1C[NH+]1CC2(C1)COCC(=O)N2[C@@H](C)CC ZINC001276192208 1016503997 /nfs/dbraw/zinc/50/39/97/1016503997.db2.gz HSYACKZPLQVBMR-KRWDZBQOSA-N 1 2 358.482 2.853 20 30 FFEDLO CCc1oncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001097958318 1016533167 /nfs/dbraw/zinc/53/31/67/1016533167.db2.gz JZJFWMBFDHKLMK-LYRGGWFBSA-N 1 2 356.451 2.705 20 30 FFEDLO CCc1oncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001097958318 1016533180 /nfs/dbraw/zinc/53/31/80/1016533180.db2.gz JZJFWMBFDHKLMK-LYRGGWFBSA-N 1 2 356.451 2.705 20 30 FFEDLO C#CCOc1ccccc1CNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000746765076 1001877932 /nfs/dbraw/zinc/87/79/32/1001877932.db2.gz FVPMYOVIUBIKEB-UHFFFAOYSA-N 1 2 362.433 2.697 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CCN1c1ccc(C#N)c(C)n1 ZINC001091829118 1001912819 /nfs/dbraw/zinc/91/28/19/1001912819.db2.gz SUXMPDBIWAYJIY-JCGIZDLHSA-N 1 2 366.469 2.583 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)SC)C2 ZINC001110313359 1001929601 /nfs/dbraw/zinc/92/96/01/1001929601.db2.gz HUYXEQOTZXNURN-DXEWXGHRSA-N 1 2 359.495 2.540 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)SC)C2 ZINC001110313359 1001929605 /nfs/dbraw/zinc/92/96/05/1001929605.db2.gz HUYXEQOTZXNURN-DXEWXGHRSA-N 1 2 359.495 2.540 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3C[N@@H+]([C@H](C)c4csnn4)C[C@@]3(C)C2)cc1 ZINC001091906758 1002057547 /nfs/dbraw/zinc/05/75/47/1002057547.db2.gz DKYRTMIXKINGMH-ZTQAJYAQSA-N 1 2 366.490 2.675 20 30 FFEDLO C#Cc1ccc(C(=O)N2C[C@H]3C[N@H+]([C@H](C)c4csnn4)C[C@@]3(C)C2)cc1 ZINC001091906758 1002057565 /nfs/dbraw/zinc/05/75/65/1002057565.db2.gz DKYRTMIXKINGMH-ZTQAJYAQSA-N 1 2 366.490 2.675 20 30 FFEDLO CC(C)n1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)n1 ZINC001097962836 1016574269 /nfs/dbraw/zinc/57/42/69/1016574269.db2.gz CFJYDKOSJCICJZ-NRSPTQNISA-N 1 2 362.477 2.851 20 30 FFEDLO CC(C)n1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)n1 ZINC001097962836 1016574278 /nfs/dbraw/zinc/57/42/78/1016574278.db2.gz CFJYDKOSJCICJZ-NRSPTQNISA-N 1 2 362.477 2.851 20 30 FFEDLO CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000789789676 1002195504 /nfs/dbraw/zinc/19/55/04/1002195504.db2.gz XRRHGCHQZJTVHT-UHFFFAOYSA-N 1 2 368.393 2.542 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](Nc1nc(C)[nH+]c2c1CCCC2)C1CC1 ZINC001096821148 1016597245 /nfs/dbraw/zinc/59/72/45/1016597245.db2.gz GKOXDHASVKMORV-NEWSRXKRSA-N 1 2 370.497 2.562 20 30 FFEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000790124634 1002293233 /nfs/dbraw/zinc/29/32/33/1002293233.db2.gz MXPBEUOQUILPJF-UHFFFAOYSA-N 1 2 368.399 2.626 20 30 FFEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000790124634 1002293243 /nfs/dbraw/zinc/29/32/43/1002293243.db2.gz MXPBEUOQUILPJF-UHFFFAOYSA-N 1 2 368.399 2.626 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@](F)(CO)CC1 ZINC001183828726 1002399866 /nfs/dbraw/zinc/39/98/66/1002399866.db2.gz LRAATMDMTIDBPG-CTNGQTDRSA-N 1 2 373.472 2.626 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@](F)(CO)CC1 ZINC001183828726 1002399873 /nfs/dbraw/zinc/39/98/73/1002399873.db2.gz LRAATMDMTIDBPG-CTNGQTDRSA-N 1 2 373.472 2.626 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCc2ncccc2C1 ZINC001183830761 1002403901 /nfs/dbraw/zinc/40/39/01/1002403901.db2.gz HQVUCEUUSMXIPM-NRFANRHFSA-N 1 2 360.461 2.893 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCc2ncccc2C1 ZINC001183830761 1002403911 /nfs/dbraw/zinc/40/39/11/1002403911.db2.gz HQVUCEUUSMXIPM-NRFANRHFSA-N 1 2 360.461 2.893 20 30 FFEDLO C=CCOC(=O)N1CCC(OC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000790854314 1002500902 /nfs/dbraw/zinc/50/09/02/1002500902.db2.gz CUXAZANIFSXFSF-INIZCTEOSA-N 1 2 372.465 2.763 20 30 FFEDLO C=CCOC(=O)N1CCC(OC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000790854314 1002500909 /nfs/dbraw/zinc/50/09/09/1002500909.db2.gz CUXAZANIFSXFSF-INIZCTEOSA-N 1 2 372.465 2.763 20 30 FFEDLO C=C[C@@H](C(=O)NC[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C)c1ccccc1 ZINC001092381515 1002759501 /nfs/dbraw/zinc/75/95/01/1002759501.db2.gz LMTBAIRLDAOIBI-ATZDWAIDSA-N 1 2 350.466 2.943 20 30 FFEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@]1(C)c1ccccc1)c1nccn12 ZINC001092383360 1002762866 /nfs/dbraw/zinc/76/28/66/1002762866.db2.gz DXEWGRLPTAADHG-BBTUJRGHSA-N 1 2 362.477 2.619 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cscn1)C2 ZINC001096880027 1016669948 /nfs/dbraw/zinc/66/99/48/1016669948.db2.gz OORHQDZDPLFFDG-INMHGKMJSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cscn1)C2 ZINC001096880027 1016669956 /nfs/dbraw/zinc/66/99/56/1016669956.db2.gz OORHQDZDPLFFDG-INMHGKMJSA-N 1 2 368.462 2.559 20 30 FFEDLO N#Cc1ccnc(N2CCC[C@H](OC(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000791977560 1002860622 /nfs/dbraw/zinc/86/06/22/1002860622.db2.gz WVMRWBWDAQQCFM-IBGZPJMESA-N 1 2 373.416 2.965 20 30 FFEDLO Cc1[nH]nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)c1C ZINC001096890502 1016685056 /nfs/dbraw/zinc/68/50/56/1016685056.db2.gz DNXBKAIJGVJEOJ-NXHRZFHOSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1[nH]nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)c1C ZINC001096890502 1016685060 /nfs/dbraw/zinc/68/50/60/1016685060.db2.gz DNXBKAIJGVJEOJ-NXHRZFHOSA-N 1 2 367.428 2.573 20 30 FFEDLO C[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001092568491 1003140820 /nfs/dbraw/zinc/14/08/20/1003140820.db2.gz CVEDWNUWMQFXBM-HZPDHXFCSA-N 1 2 369.444 2.563 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1C[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC001092652589 1003301434 /nfs/dbraw/zinc/30/14/34/1003301434.db2.gz RIHFIMOIWFWNNA-FRFSOERESA-N 1 2 358.486 2.760 20 30 FFEDLO C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1CCNc1ccc(C#N)nc1 ZINC001092615911 1003309966 /nfs/dbraw/zinc/30/99/66/1003309966.db2.gz TWRVNFGKJPLHDW-IAGOWNOFSA-N 1 2 366.469 2.527 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2scnc2COC)C1 ZINC001086613655 1003374547 /nfs/dbraw/zinc/37/45/47/1003374547.db2.gz FOOUVHJAMBCWNG-DLBZAZTESA-N 1 2 369.490 2.511 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2scnc2COC)C1 ZINC001086613655 1003374554 /nfs/dbraw/zinc/37/45/54/1003374554.db2.gz FOOUVHJAMBCWNG-DLBZAZTESA-N 1 2 369.490 2.511 20 30 FFEDLO N#CCSCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC001186917399 1003489636 /nfs/dbraw/zinc/48/96/36/1003489636.db2.gz NGYGZLQHGNQXEH-BLLLJJGKSA-N 1 2 367.877 2.769 20 30 FFEDLO N#CCSCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC001186917399 1003489639 /nfs/dbraw/zinc/48/96/39/1003489639.db2.gz NGYGZLQHGNQXEH-BLLLJJGKSA-N 1 2 367.877 2.769 20 30 FFEDLO N#Cc1ccc(NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCCCC2)nc1 ZINC001114185219 1003508645 /nfs/dbraw/zinc/50/86/45/1003508645.db2.gz QEUYFWDYOZBUCQ-HZPDHXFCSA-N 1 2 364.453 2.711 20 30 FFEDLO N#Cc1ccc(NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCCCC2)nc1 ZINC001114185219 1003508655 /nfs/dbraw/zinc/50/86/55/1003508655.db2.gz QEUYFWDYOZBUCQ-HZPDHXFCSA-N 1 2 364.453 2.711 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1c1ccccc1 ZINC001086619140 1003545882 /nfs/dbraw/zinc/54/58/82/1003545882.db2.gz AVIRJDDIXBRNEP-ZWKOTPCHSA-N 1 2 369.440 2.814 20 30 FFEDLO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1c1ccccc1 ZINC001086619140 1003545891 /nfs/dbraw/zinc/54/58/91/1003545891.db2.gz AVIRJDDIXBRNEP-ZWKOTPCHSA-N 1 2 369.440 2.814 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C2CC2)n1 ZINC001092805950 1003557136 /nfs/dbraw/zinc/55/71/36/1003557136.db2.gz IZWQEWVFZAFIPE-RANZSIQMSA-N 1 2 370.497 2.870 20 30 FFEDLO N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(F)c2)c[nH]1 ZINC001096972147 1016789574 /nfs/dbraw/zinc/78/95/74/1016789574.db2.gz HYOBBYVGJQHORY-OLMNPRSZSA-N 1 2 356.376 2.700 20 30 FFEDLO N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(F)c2)c[nH]1 ZINC001096972147 1016789582 /nfs/dbraw/zinc/78/95/82/1016789582.db2.gz HYOBBYVGJQHORY-OLMNPRSZSA-N 1 2 356.376 2.700 20 30 FFEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@](C)(CC)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129441389 1003654785 /nfs/dbraw/zinc/65/47/85/1003654785.db2.gz SGIPNNRKFYUGSG-WSTZPKSXSA-N 1 2 359.518 2.640 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@](C)(CC)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129441389 1003654792 /nfs/dbraw/zinc/65/47/92/1003654792.db2.gz SGIPNNRKFYUGSG-WSTZPKSXSA-N 1 2 359.518 2.640 20 30 FFEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cncc(F)c2)C3)ccc1F ZINC001096946765 1016807780 /nfs/dbraw/zinc/80/77/80/1016807780.db2.gz XNHGOGJWMSCTHW-QRQLOZEOSA-N 1 2 368.387 2.767 20 30 FFEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cncc(F)c2)C3)ccc1F ZINC001096946765 1016807796 /nfs/dbraw/zinc/80/77/96/1016807796.db2.gz XNHGOGJWMSCTHW-QRQLOZEOSA-N 1 2 368.387 2.767 20 30 FFEDLO C#CC[C@@H](Cc1ccccc1)Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000804809753 1003851896 /nfs/dbraw/zinc/85/18/96/1003851896.db2.gz LKFFDXYWQXDUAF-OALUTQOASA-N 1 2 350.466 2.732 20 30 FFEDLO C#CC[C@@H](Cc1ccccc1)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000804809753 1003851911 /nfs/dbraw/zinc/85/19/11/1003851911.db2.gz LKFFDXYWQXDUAF-OALUTQOASA-N 1 2 350.466 2.732 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O)C1CCCCC1 ZINC001196854760 1003992875 /nfs/dbraw/zinc/99/28/75/1003992875.db2.gz WITXMVQRFFUJMK-MAODMQOUSA-N 1 2 369.509 2.826 20 30 FFEDLO C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O)C1CCCCC1 ZINC001196854760 1003992881 /nfs/dbraw/zinc/99/28/81/1003992881.db2.gz WITXMVQRFFUJMK-MAODMQOUSA-N 1 2 369.509 2.826 20 30 FFEDLO N#Cc1cccc([C@@H](O)C[NH+]2CCN(Cc3ccc(O)c(Cl)c3)CC2)c1 ZINC001197078092 1004074480 /nfs/dbraw/zinc/07/44/80/1004074480.db2.gz RFIIZGCZZJBADC-FQEVSTJZSA-N 1 2 371.868 2.768 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1O ZINC001192374857 1004146285 /nfs/dbraw/zinc/14/62/85/1004146285.db2.gz MFJYFRBFPOETJO-IAGOWNOFSA-N 1 2 368.399 2.560 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1O ZINC001192374857 1004146289 /nfs/dbraw/zinc/14/62/89/1004146289.db2.gz MFJYFRBFPOETJO-IAGOWNOFSA-N 1 2 368.399 2.560 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2c2ncccn2)cc1 ZINC001197448857 1004209912 /nfs/dbraw/zinc/20/99/12/1004209912.db2.gz FNFCDJSBVLRWBR-HKUYNNGSSA-N 1 2 352.438 2.510 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2c2ncccn2)cc1 ZINC001197448857 1004209920 /nfs/dbraw/zinc/20/99/20/1004209920.db2.gz FNFCDJSBVLRWBR-HKUYNNGSSA-N 1 2 352.438 2.510 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)s1 ZINC001110495686 1004384698 /nfs/dbraw/zinc/38/46/98/1004384698.db2.gz FQZQWXNKPNSINV-MBMVNNNZSA-N 1 2 354.903 2.950 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)s1 ZINC001110495686 1004384705 /nfs/dbraw/zinc/38/47/05/1004384705.db2.gz FQZQWXNKPNSINV-MBMVNNNZSA-N 1 2 354.903 2.950 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc3ccccc3o2)C[C@H]1O ZINC001193337306 1004455160 /nfs/dbraw/zinc/45/51/60/1004455160.db2.gz NWPJUDPTFZYWNJ-NUEKZKHPSA-N 1 2 357.454 2.652 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc3ccccc3o2)C[C@H]1O ZINC001193337306 1004455162 /nfs/dbraw/zinc/45/51/62/1004455162.db2.gz NWPJUDPTFZYWNJ-NUEKZKHPSA-N 1 2 357.454 2.652 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@H]1O ZINC001193344881 1004458078 /nfs/dbraw/zinc/45/80/78/1004458078.db2.gz GXFGDMSDKRUBBZ-IAGOWNOFSA-N 1 2 368.880 2.785 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)C[C@H]1O ZINC001193344881 1004458082 /nfs/dbraw/zinc/45/80/82/1004458082.db2.gz GXFGDMSDKRUBBZ-IAGOWNOFSA-N 1 2 368.880 2.785 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)ns2)C[C@H]1O ZINC001198087978 1004476727 /nfs/dbraw/zinc/47/67/27/1004476727.db2.gz RJRBOTTYHCRRKX-IAGOWNOFSA-N 1 2 353.532 2.863 20 30 FFEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ns2)C[C@H]1O ZINC001198087978 1004476733 /nfs/dbraw/zinc/47/67/33/1004476733.db2.gz RJRBOTTYHCRRKX-IAGOWNOFSA-N 1 2 353.532 2.863 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nsc2ccccc12 ZINC001110502934 1004490362 /nfs/dbraw/zinc/49/03/62/1004490362.db2.gz XCQAKMIVISOYBU-FWYGIPPASA-N 1 2 371.506 2.845 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nsc2ccccc12 ZINC001110502934 1004490367 /nfs/dbraw/zinc/49/03/67/1004490367.db2.gz XCQAKMIVISOYBU-FWYGIPPASA-N 1 2 371.506 2.845 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)ns1 ZINC001097007288 1016882616 /nfs/dbraw/zinc/88/26/16/1016882616.db2.gz FSUHRKQNWDXTAO-NUJGCVRESA-N 1 2 352.463 2.859 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)ns1 ZINC001097007288 1016882629 /nfs/dbraw/zinc/88/26/29/1016882629.db2.gz FSUHRKQNWDXTAO-NUJGCVRESA-N 1 2 352.463 2.859 20 30 FFEDLO O=C(CCC1CCCCC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001198337128 1004583294 /nfs/dbraw/zinc/58/32/94/1004583294.db2.gz GNNPWMPFVDPIKQ-NHCUHLMSSA-N 1 2 354.494 2.560 20 30 FFEDLO O=C(CCC1CCCCC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001198337128 1004583300 /nfs/dbraw/zinc/58/33/00/1004583300.db2.gz GNNPWMPFVDPIKQ-NHCUHLMSSA-N 1 2 354.494 2.560 20 30 FFEDLO CCCC[C@H](CNc1ccc(C#N)nc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001114313339 1004999689 /nfs/dbraw/zinc/99/96/89/1004999689.db2.gz ARNIPCWBDQDWGK-KZNAEPCWSA-N 1 2 366.469 2.577 20 30 FFEDLO CO[C@H](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110472259 1005004400 /nfs/dbraw/zinc/00/44/00/1005004400.db2.gz BFWLASGFFCXUND-AZFSHXRASA-N 1 2 359.445 2.734 20 30 FFEDLO CO[C@H](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110472259 1005004403 /nfs/dbraw/zinc/00/44/03/1005004403.db2.gz BFWLASGFFCXUND-AZFSHXRASA-N 1 2 359.445 2.734 20 30 FFEDLO COc1ccc(CC(N)=[NH+]OCc2ccn(-c3ccccc3)n2)cc1OC ZINC000105394361 1005078676 /nfs/dbraw/zinc/07/86/76/1005078676.db2.gz MJOLLYHSGUZRRY-UHFFFAOYSA-N 1 2 366.421 2.921 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nsc2ccccc12 ZINC001110552160 1005105272 /nfs/dbraw/zinc/10/52/72/1005105272.db2.gz PEJIVOUBIQYWEY-MMNPAVHPSA-N 1 2 369.490 2.556 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nsc2ccccc12 ZINC001110552160 1005105274 /nfs/dbraw/zinc/10/52/74/1005105274.db2.gz PEJIVOUBIQYWEY-MMNPAVHPSA-N 1 2 369.490 2.556 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nsc2ccccc12 ZINC001110552161 1005105337 /nfs/dbraw/zinc/10/53/37/1005105337.db2.gz PEJIVOUBIQYWEY-SZXPJGKVSA-N 1 2 369.490 2.556 20 30 FFEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nsc2ccccc12 ZINC001110552161 1005105338 /nfs/dbraw/zinc/10/53/38/1005105338.db2.gz PEJIVOUBIQYWEY-SZXPJGKVSA-N 1 2 369.490 2.556 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000776084993 1005113022 /nfs/dbraw/zinc/11/30/22/1005113022.db2.gz WEJNSBBKINTPIF-CVEARBPZSA-N 1 2 368.522 2.582 20 30 FFEDLO C=CCCC[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000776084993 1005113025 /nfs/dbraw/zinc/11/30/25/1005113025.db2.gz WEJNSBBKINTPIF-CVEARBPZSA-N 1 2 368.522 2.582 20 30 FFEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001055074223 1016947722 /nfs/dbraw/zinc/94/77/22/1016947722.db2.gz VRBSZYAHPGHZFU-HKBOAZHASA-N 1 2 374.488 2.852 20 30 FFEDLO Cc1ccc(S(=O)(=O)NCc2c[nH+]cn2Cc2ccccc2)cc1C#N ZINC001201335202 1005202869 /nfs/dbraw/zinc/20/28/69/1005202869.db2.gz KIOQEHTVIYTMIE-UHFFFAOYSA-N 1 2 366.446 2.590 20 30 FFEDLO COc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)ccn1 ZINC001095666646 1016952178 /nfs/dbraw/zinc/95/21/78/1016952178.db2.gz VPXXRTMXCCFIMQ-COXVUDFISA-N 1 2 368.462 2.559 20 30 FFEDLO COc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)ccn1 ZINC001095666646 1016952189 /nfs/dbraw/zinc/95/21/89/1016952189.db2.gz VPXXRTMXCCFIMQ-COXVUDFISA-N 1 2 368.462 2.559 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2cnon2)C[C@H]1c1ccccc1 ZINC001488884877 1005378044 /nfs/dbraw/zinc/37/80/44/1005378044.db2.gz JQJVYEOKEDVSNE-VQTJNVASSA-N 1 2 366.465 2.922 20 30 FFEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2cnon2)C[C@H]1c1ccccc1 ZINC001488884877 1005378046 /nfs/dbraw/zinc/37/80/46/1005378046.db2.gz JQJVYEOKEDVSNE-VQTJNVASSA-N 1 2 366.465 2.922 20 30 FFEDLO C=CC1(CC(=O)N2C[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)CCCCC1 ZINC001489267502 1005445030 /nfs/dbraw/zinc/44/50/30/1005445030.db2.gz GIZPVDHDVZFDIL-DLBZAZTESA-N 1 2 370.497 2.538 20 30 FFEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@H](C)c2cccs2)[C@@H]1C ZINC001489287979 1005449270 /nfs/dbraw/zinc/44/92/70/1005449270.db2.gz YFYSKXIXMJZXKB-OAGGEKHMSA-N 1 2 363.527 2.861 20 30 FFEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@H](C)c2cccs2)[C@@H]1C ZINC001489287979 1005449272 /nfs/dbraw/zinc/44/92/72/1005449272.db2.gz YFYSKXIXMJZXKB-OAGGEKHMSA-N 1 2 363.527 2.861 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCCC1 ZINC001489833261 1005554935 /nfs/dbraw/zinc/55/49/35/1005554935.db2.gz WSZUZTAHQORHOU-YYIAUSFCSA-N 1 2 370.497 2.661 20 30 FFEDLO C=CCC1(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCCC1 ZINC001489833261 1005554938 /nfs/dbraw/zinc/55/49/38/1005554938.db2.gz WSZUZTAHQORHOU-YYIAUSFCSA-N 1 2 370.497 2.661 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H]1C ZINC001490117057 1005651350 /nfs/dbraw/zinc/65/13/50/1005651350.db2.gz FYLHXJJTERUWCE-ILXRZTDVSA-N 1 2 358.486 2.538 20 30 FFEDLO CC(C)CNC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000852319455 1005976417 /nfs/dbraw/zinc/97/64/17/1005976417.db2.gz NFTRQZRXEQWTDW-INIZCTEOSA-N 1 2 356.470 2.637 20 30 FFEDLO CC(C)CNC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000852319455 1005976420 /nfs/dbraw/zinc/97/64/20/1005976420.db2.gz NFTRQZRXEQWTDW-INIZCTEOSA-N 1 2 356.470 2.637 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)c(C)o1 ZINC001098021601 1017011723 /nfs/dbraw/zinc/01/17/23/1017011723.db2.gz VXZWMHRNMRIOOB-QRVBRYPASA-N 1 2 363.461 2.932 20 30 FFEDLO CCc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)c(C)o1 ZINC001098021601 1017011738 /nfs/dbraw/zinc/01/17/38/1017011738.db2.gz VXZWMHRNMRIOOB-QRVBRYPASA-N 1 2 363.461 2.932 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(C(C)(C)C)n3)C[C@H]21 ZINC001187281593 1005999777 /nfs/dbraw/zinc/99/97/77/1005999777.db2.gz WQYAECPFZOYYPP-GOEBONIOSA-N 1 2 363.527 2.676 20 30 FFEDLO C=CCOCC(=O)N1CC[C@H]2C[N@H+](Cc3csc(C(C)(C)C)n3)C[C@H]21 ZINC001187281593 1005999786 /nfs/dbraw/zinc/99/97/86/1005999786.db2.gz WQYAECPFZOYYPP-GOEBONIOSA-N 1 2 363.527 2.676 20 30 FFEDLO CC[C@@H](C)OCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187546514 1006137434 /nfs/dbraw/zinc/13/74/34/1006137434.db2.gz LTFNIVDLFCAYRV-SIXWZSSISA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H](C)OCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187546514 1006137438 /nfs/dbraw/zinc/13/74/38/1006137438.db2.gz LTFNIVDLFCAYRV-SIXWZSSISA-N 1 2 359.445 2.545 20 30 FFEDLO COc1c(F)cc(C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC(C)C)[C@@H]3C2)cc1F ZINC001187840887 1006268707 /nfs/dbraw/zinc/26/87/07/1006268707.db2.gz NOCPIFKLHWIMQL-MAUKXSAKSA-N 1 2 362.420 2.666 20 30 FFEDLO COc1c(F)cc(C[N@H+]2C[C@@H]3CCN(C(=O)C#CC(C)C)[C@@H]3C2)cc1F ZINC001187840887 1006268714 /nfs/dbraw/zinc/26/87/14/1006268714.db2.gz NOCPIFKLHWIMQL-MAUKXSAKSA-N 1 2 362.420 2.666 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000853090611 1006293094 /nfs/dbraw/zinc/29/30/94/1006293094.db2.gz SDWJNIPTRIRKMB-UHFFFAOYSA-N 1 2 370.453 2.540 20 30 FFEDLO C=CC1CC[NH+](CC2=C(C(=O)OCC)[C@@H](c3ccccc3)NC(=O)N2)CC1 ZINC000111257629 1006374036 /nfs/dbraw/zinc/37/40/36/1006374036.db2.gz CYNOSUFIIJOGBS-LJQANCHMSA-N 1 2 369.465 2.756 20 30 FFEDLO C#CCCCOc1ccc[nH+]c1NCc1cnc(N2CCOCC2)c(F)c1 ZINC000853479267 1006404462 /nfs/dbraw/zinc/40/44/62/1006404462.db2.gz BGMFFXFUABVXFR-UHFFFAOYSA-N 1 2 370.428 2.857 20 30 FFEDLO CCOC(=O)n1nc2c(c1Nc1cc(C#N)cc(C#N)c1)C[NH2+]C2(C)C ZINC001170760984 1006412657 /nfs/dbraw/zinc/41/26/57/1006412657.db2.gz QHXDJBWNWYYSRM-UHFFFAOYSA-N 1 2 350.382 2.713 20 30 FFEDLO COCc1cc(C#N)ccc1NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000882698695 1006480247 /nfs/dbraw/zinc/48/02/47/1006480247.db2.gz IWTJCFAXAIMGHA-UHFFFAOYSA-N 1 2 359.470 2.923 20 30 FFEDLO CO[C@H](CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1)[C@H]1CCOC1 ZINC000853658610 1006495807 /nfs/dbraw/zinc/49/58/07/1006495807.db2.gz NNFMFFFRVKNWIT-AZUAARDMSA-N 1 2 370.449 2.954 20 30 FFEDLO N#CCc1cccc(C(=O)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c1 ZINC001188667302 1006687047 /nfs/dbraw/zinc/68/70/47/1006687047.db2.gz HQHXUVGDNBNSAD-SFHVURJKSA-N 1 2 364.449 2.648 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001188909118 1006800010 /nfs/dbraw/zinc/80/00/10/1006800010.db2.gz NNCLZTNDGUGWLH-JENIJYKNSA-N 1 2 355.482 2.760 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3)C[C@H]21 ZINC001188909118 1006800016 /nfs/dbraw/zinc/80/00/16/1006800016.db2.gz NNCLZTNDGUGWLH-JENIJYKNSA-N 1 2 355.482 2.760 20 30 FFEDLO N#Cc1ccc(NC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CCCC2)nc1 ZINC001110684987 1006813316 /nfs/dbraw/zinc/81/33/16/1006813316.db2.gz DNQDQYHROLAIRR-ZACQAIPSSA-N 1 2 364.453 2.567 20 30 FFEDLO N#Cc1ccc(NC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CCCC2)nc1 ZINC001110684987 1006813330 /nfs/dbraw/zinc/81/33/30/1006813330.db2.gz DNQDQYHROLAIRR-ZACQAIPSSA-N 1 2 364.453 2.567 20 30 FFEDLO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)ccc1OC ZINC000113308907 1007319574 /nfs/dbraw/zinc/31/95/74/1007319574.db2.gz OAYGJSWRZSOHDJ-VQIMIIECSA-N 1 2 371.412 2.831 20 30 FFEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3noc(C4CC4)n3)C2)cc1 ZINC001086773525 1007338885 /nfs/dbraw/zinc/33/88/85/1007338885.db2.gz QBZCTKLMZCBDSZ-MAUKXSAKSA-N 1 2 364.449 2.617 20 30 FFEDLO Cc1nn(C)c2ncc(C[NH+]3CCN([C@H](C#N)c4ccccc4)CC3)cc12 ZINC000121562081 1007420314 /nfs/dbraw/zinc/42/03/14/1007420314.db2.gz QETAYUPHVRHKJJ-HXUWFJFHSA-N 1 2 360.465 2.659 20 30 FFEDLO N#CCc1cccc(C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000817182544 1007463303 /nfs/dbraw/zinc/46/33/03/1007463303.db2.gz WUZLOEGXRUZOAI-UHFFFAOYSA-N 1 2 350.418 2.942 20 30 FFEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc2c(c1)CC(=O)N2C ZINC000775354102 1007472105 /nfs/dbraw/zinc/47/21/05/1007472105.db2.gz XRGPTNSFGIKRJW-ZDUSSCGKSA-N 1 2 373.416 2.978 20 30 FFEDLO COc1ccc(F)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2 ZINC001095331650 1007501554 /nfs/dbraw/zinc/50/15/54/1007501554.db2.gz ZOLMHRBHNJMJMU-SQNIBIBYSA-N 1 2 368.412 2.569 20 30 FFEDLO COc1ccc(F)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2 ZINC001095331650 1007501565 /nfs/dbraw/zinc/50/15/65/1007501565.db2.gz ZOLMHRBHNJMJMU-SQNIBIBYSA-N 1 2 368.412 2.569 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2C[N@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001190425099 1007636296 /nfs/dbraw/zinc/63/62/96/1007636296.db2.gz LHFQMYFADVJXKO-DOTOQJQBSA-N 1 2 361.511 2.646 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001190425099 1007636304 /nfs/dbraw/zinc/63/63/04/1007636304.db2.gz LHFQMYFADVJXKO-DOTOQJQBSA-N 1 2 361.511 2.646 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858012681 1008276916 /nfs/dbraw/zinc/27/69/16/1008276916.db2.gz BGWPAXYZFWVKAJ-NQIIRXRSSA-N 1 2 370.497 2.857 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858012681 1008276917 /nfs/dbraw/zinc/27/69/17/1008276917.db2.gz BGWPAXYZFWVKAJ-NQIIRXRSSA-N 1 2 370.497 2.857 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001206479771 1032304978 /nfs/dbraw/zinc/30/49/78/1032304978.db2.gz VNMUCMZAOAVJNX-IJEWVQPXSA-N 1 2 351.878 2.653 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001206479771 1032304981 /nfs/dbraw/zinc/30/49/81/1032304981.db2.gz VNMUCMZAOAVJNX-IJEWVQPXSA-N 1 2 351.878 2.653 20 30 FFEDLO C#CC[N@H+](Cc1cccnc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426312 1008675736 /nfs/dbraw/zinc/67/57/36/1008675736.db2.gz RVSQEHMQCIRWRT-UHFFFAOYSA-N 1 2 374.441 2.825 20 30 FFEDLO C#CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426312 1008675741 /nfs/dbraw/zinc/67/57/41/1008675741.db2.gz RVSQEHMQCIRWRT-UHFFFAOYSA-N 1 2 374.441 2.825 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1C ZINC000859884097 1008708084 /nfs/dbraw/zinc/70/80/84/1008708084.db2.gz DSURBOGQKNUBNT-MVYHEMRASA-N 1 2 373.522 2.536 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1C ZINC000859884097 1008708101 /nfs/dbraw/zinc/70/81/01/1008708101.db2.gz DSURBOGQKNUBNT-MVYHEMRASA-N 1 2 373.522 2.536 20 30 FFEDLO CCOC(=O)[C@H]1CCCc2sc(NC(=O)[C@@H](C)n3cc[nH+]c3)c(C#N)c21 ZINC001177922287 1008791725 /nfs/dbraw/zinc/79/17/25/1008791725.db2.gz RPVUGFZOROWOHN-NEPJUHHUSA-N 1 2 372.450 2.999 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)co1 ZINC001095350729 1008874617 /nfs/dbraw/zinc/87/46/17/1008874617.db2.gz DKEWLTLUDDMKDZ-HFTRVMKXSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)co1 ZINC001095350729 1008874639 /nfs/dbraw/zinc/87/46/39/1008874639.db2.gz DKEWLTLUDDMKDZ-HFTRVMKXSA-N 1 2 354.385 2.529 20 30 FFEDLO C=CCC1(O)CC[NH+](CC(=O)N[C@@H](c2nccs2)c2ccccc2)CC1 ZINC000886774254 1008875007 /nfs/dbraw/zinc/87/50/07/1008875007.db2.gz KNWKVZSHWHBEFB-GOSISDBHSA-N 1 2 371.506 2.752 20 30 FFEDLO C#CC[C@@H](CC(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C)c1ccccc1 ZINC001090736460 1009260199 /nfs/dbraw/zinc/26/01/99/1009260199.db2.gz MASVFIVEWCYBOZ-LSTHTHJFSA-N 1 2 362.477 2.923 20 30 FFEDLO Cc1nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)(C)C)C3)c2c([nH+]1)CCCC2 ZINC001092966738 1009519691 /nfs/dbraw/zinc/51/96/91/1009519691.db2.gz GSBYNVLUQCKTDW-LZQZEXGQSA-N 1 2 366.509 2.939 20 30 FFEDLO COCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(Cl)cc2)CC1 ZINC001110806292 1009521015 /nfs/dbraw/zinc/52/10/15/1009521015.db2.gz IKKHVRBOTZSRLE-QRVBRYPASA-N 1 2 372.896 2.840 20 30 FFEDLO COCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(Cl)cc2)CC1 ZINC001110806292 1009521026 /nfs/dbraw/zinc/52/10/26/1009521026.db2.gz IKKHVRBOTZSRLE-QRVBRYPASA-N 1 2 372.896 2.840 20 30 FFEDLO Cc1cc(N2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)C)C2)nc(C2CC2)[nH+]1 ZINC001093085111 1009806514 /nfs/dbraw/zinc/80/65/14/1009806514.db2.gz GLRYXBPFHLBKFE-UWJYYQICSA-N 1 2 352.482 2.797 20 30 FFEDLO C=CCCC[C@@H](C)OC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000773874893 1009832360 /nfs/dbraw/zinc/83/23/60/1009832360.db2.gz HKMZOLKUHKTOQP-QGZVFWFLSA-N 1 2 359.470 2.798 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000890430266 1010407765 /nfs/dbraw/zinc/40/77/65/1010407765.db2.gz NBTDPYKVSDVNGA-FQEVSTJZSA-N 1 2 374.444 2.677 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000890430266 1010407770 /nfs/dbraw/zinc/40/77/70/1010407770.db2.gz NBTDPYKVSDVNGA-FQEVSTJZSA-N 1 2 374.444 2.677 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)c(C)c2)C[C@H]1C ZINC001206885106 1032480268 /nfs/dbraw/zinc/48/02/68/1032480268.db2.gz UYGOYVWBASPRJA-UYAOXDASSA-N 1 2 369.509 2.872 20 30 FFEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)c(C)c2)C[C@H]1C ZINC001206885106 1032480272 /nfs/dbraw/zinc/48/02/72/1032480272.db2.gz UYGOYVWBASPRJA-UYAOXDASSA-N 1 2 369.509 2.872 20 30 FFEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)cc1C ZINC001206939411 1032513407 /nfs/dbraw/zinc/51/34/07/1032513407.db2.gz DDOVXLKWWKGJJN-WSTZPKSXSA-N 1 2 369.509 2.726 20 30 FFEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)cc1C ZINC001206939411 1032513412 /nfs/dbraw/zinc/51/34/12/1032513412.db2.gz DDOVXLKWWKGJJN-WSTZPKSXSA-N 1 2 369.509 2.726 20 30 FFEDLO COC(=O)Cc1cc[nH+]c(NC2CCN(c3ccccc3C#N)CC2)c1 ZINC000866045991 1010915694 /nfs/dbraw/zinc/91/56/94/1010915694.db2.gz QPZIPTYTAPCBEU-UHFFFAOYSA-N 1 2 350.422 2.750 20 30 FFEDLO C#CCN(C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)C1CCCC1 ZINC000121156461 1011023660 /nfs/dbraw/zinc/02/36/60/1011023660.db2.gz KKNHHUWGDNCTPS-FQEVSTJZSA-N 1 2 369.509 2.517 20 30 FFEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3c3ccc(C)s3)nn2)C1 ZINC001094325490 1011027799 /nfs/dbraw/zinc/02/77/99/1011027799.db2.gz OWDPEYLBKSEQMM-IAGOWNOFSA-N 1 2 371.510 2.501 20 30 FFEDLO COC(=O)[C@H](CS)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171582599 1011391421 /nfs/dbraw/zinc/39/14/21/1011391421.db2.gz RGUJVTZVKCHHHI-IHRRRGAJSA-N 1 2 374.547 2.862 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[C@H]4C[C@H]4C2)C3)c(F)c1 ZINC001095894643 1011480219 /nfs/dbraw/zinc/48/02/19/1011480219.db2.gz CZCVZUWBHDZMGQ-XWIHJEQYSA-N 1 2 353.441 2.965 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[C@H]4C[C@H]4C2)C3)c(F)c1 ZINC001095894643 1011480226 /nfs/dbraw/zinc/48/02/26/1011480226.db2.gz CZCVZUWBHDZMGQ-XWIHJEQYSA-N 1 2 353.441 2.965 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cccc4[nH+]ccn43)C2)CC1 ZINC000958557669 1011873051 /nfs/dbraw/zinc/87/30/51/1011873051.db2.gz VELCHXAOLVOCFK-NVXWUHKLSA-N 1 2 366.465 2.657 20 30 FFEDLO CCCC[C@@H]1C[C@@H](N2CC[NH2+]C[C@H]2C#N)CCN1C(=O)OC(C)(C)C ZINC001172641862 1011913313 /nfs/dbraw/zinc/91/33/13/1011913313.db2.gz LQMQNHQNXRLFFK-IXDOHACOSA-N 1 2 350.507 2.742 20 30 FFEDLO CCCCCCC[N@@H+]1C[C@]2(F)CN(CC3CCOCC3)C(=O)[C@]2(F)C1 ZINC001275115054 1011956632 /nfs/dbraw/zinc/95/66/32/1011956632.db2.gz RXPIISBEHIZPOL-RBUKOAKNSA-N 1 2 358.473 2.958 20 30 FFEDLO CCCCCCC[N@H+]1C[C@]2(F)CN(CC3CCOCC3)C(=O)[C@]2(F)C1 ZINC001275115054 1011956649 /nfs/dbraw/zinc/95/66/49/1011956649.db2.gz RXPIISBEHIZPOL-RBUKOAKNSA-N 1 2 358.473 2.958 20 30 FFEDLO COc1cccc(C[NH+]2CCN(C(=O)c3ccc(C#N)c(OC)c3)CC2)c1 ZINC000870159038 1012223436 /nfs/dbraw/zinc/22/34/36/1012223436.db2.gz SZQYREDZSCNKJH-UHFFFAOYSA-N 1 2 365.433 2.533 20 30 FFEDLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000796333326 1012227774 /nfs/dbraw/zinc/22/77/74/1012227774.db2.gz MNYFSFDBWSKZHI-ANUCXYRTSA-N 1 2 367.474 2.828 20 30 FFEDLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000796333326 1012227789 /nfs/dbraw/zinc/22/77/89/1012227789.db2.gz MNYFSFDBWSKZHI-ANUCXYRTSA-N 1 2 367.474 2.828 20 30 FFEDLO N#Cc1cccnc1NCCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001095005290 1012232095 /nfs/dbraw/zinc/23/20/95/1012232095.db2.gz LVZHERIZJYOCIU-HZPDHXFCSA-N 1 2 352.442 2.569 20 30 FFEDLO N#Cc1cccnc1NCCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001095005290 1012232107 /nfs/dbraw/zinc/23/21/07/1012232107.db2.gz LVZHERIZJYOCIU-HZPDHXFCSA-N 1 2 352.442 2.569 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2occc2C(C)C)C3)C1=O ZINC001095908320 1012403855 /nfs/dbraw/zinc/40/38/55/1012403855.db2.gz MIQADXJTKDGVOB-UBDQQSCGSA-N 1 2 371.481 2.525 20 30 FFEDLO C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2occc2C(C)C)C3)C1=O ZINC001095908320 1012403866 /nfs/dbraw/zinc/40/38/66/1012403866.db2.gz MIQADXJTKDGVOB-UBDQQSCGSA-N 1 2 371.481 2.525 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cc(-c3ccc(F)cc3)on2)C1=O ZINC001275401453 1012426888 /nfs/dbraw/zinc/42/68/88/1012426888.db2.gz MISJQZDZIMFCKM-HXUWFJFHSA-N 1 2 353.397 2.681 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(-c3ccc(F)cc3)on2)C1=O ZINC001275401453 1012426900 /nfs/dbraw/zinc/42/69/00/1012426900.db2.gz MISJQZDZIMFCKM-HXUWFJFHSA-N 1 2 353.397 2.681 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC001095149404 1012556701 /nfs/dbraw/zinc/55/67/01/1012556701.db2.gz SIWOIVASFMETLW-YDZRNGNQSA-N 1 2 358.869 2.592 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC001095149404 1012556719 /nfs/dbraw/zinc/55/67/19/1012556719.db2.gz SIWOIVASFMETLW-YDZRNGNQSA-N 1 2 358.869 2.592 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@H+]2CCc2c(Cl)ncnc2Cl)C1=O ZINC001275533124 1012587009 /nfs/dbraw/zinc/58/70/09/1012587009.db2.gz SRRSDBDIJIXXQT-INIZCTEOSA-N 1 2 355.269 2.579 20 30 FFEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2CCc2c(Cl)ncnc2Cl)C1=O ZINC001275533124 1012587016 /nfs/dbraw/zinc/58/70/16/1012587016.db2.gz SRRSDBDIJIXXQT-INIZCTEOSA-N 1 2 355.269 2.579 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cscc2Br)C1=O ZINC001275539210 1012594868 /nfs/dbraw/zinc/59/48/68/1012594868.db2.gz GEOZZVBEKFNLRX-OAHLLOKOSA-N 1 2 353.285 2.711 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cscc2Br)C1=O ZINC001275539210 1012594883 /nfs/dbraw/zinc/59/48/83/1012594883.db2.gz GEOZZVBEKFNLRX-OAHLLOKOSA-N 1 2 353.285 2.711 20 30 FFEDLO N#Cc1ccccc1/C=C/C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000870990180 1012669711 /nfs/dbraw/zinc/66/97/11/1012669711.db2.gz VLMQKKANPJKHPC-AATRIKPKSA-N 1 2 364.474 2.836 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(Cl)cc2)[nH]n1 ZINC001095211971 1012716770 /nfs/dbraw/zinc/71/67/70/1012716770.db2.gz VTNNNSYSIZBZDQ-AOIWGVFYSA-N 1 2 368.868 2.758 20 30 FFEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(Cl)cc2)[nH]n1 ZINC001095211971 1012716786 /nfs/dbraw/zinc/71/67/86/1012716786.db2.gz VTNNNSYSIZBZDQ-AOIWGVFYSA-N 1 2 368.868 2.758 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccnc(F)c2)C3)s1 ZINC001095227268 1012757211 /nfs/dbraw/zinc/75/72/11/1012757211.db2.gz SYCMMHLGQVDVFV-KCXAZCMYSA-N 1 2 356.426 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccnc(F)c2)C3)s1 ZINC001095227268 1012757226 /nfs/dbraw/zinc/75/72/26/1012757226.db2.gz SYCMMHLGQVDVFV-KCXAZCMYSA-N 1 2 356.426 2.689 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cscn1)C2 ZINC001095235314 1012805933 /nfs/dbraw/zinc/80/59/33/1012805933.db2.gz OORHQDZDPLFFDG-VYDXJSESSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cscn1)C2 ZINC001095235314 1012805954 /nfs/dbraw/zinc/80/59/54/1012805954.db2.gz OORHQDZDPLFFDG-VYDXJSESSA-N 1 2 368.462 2.559 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(C)nc1)c1ccccc1 ZINC001111443865 1017142813 /nfs/dbraw/zinc/14/28/13/1017142813.db2.gz ZDEDCSLLWYFAIU-MHTWAQMVSA-N 1 2 362.477 2.976 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(C)nc1)c1ccccc1 ZINC001111443865 1017142815 /nfs/dbraw/zinc/14/28/15/1017142815.db2.gz ZDEDCSLLWYFAIU-MHTWAQMVSA-N 1 2 362.477 2.976 20 30 FFEDLO CCCc1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097405106 1017421185 /nfs/dbraw/zinc/42/11/85/1017421185.db2.gz JJBKXCNAJKLECB-AHRSYUTCSA-N 1 2 363.465 2.769 20 30 FFEDLO CCCc1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097405106 1017421192 /nfs/dbraw/zinc/42/11/92/1017421192.db2.gz JJBKXCNAJKLECB-AHRSYUTCSA-N 1 2 363.465 2.769 20 30 FFEDLO Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)cn2)c(C)[nH+]1 ZINC001055484870 1017586087 /nfs/dbraw/zinc/58/60/87/1017586087.db2.gz ARYCCEMQEIBRLF-KURKYZTESA-N 1 2 361.449 2.813 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1c1nccs1)C2 ZINC001097581867 1017666163 /nfs/dbraw/zinc/66/61/63/1017666163.db2.gz SFDLUUNNFCLBGR-KBXIAJHMSA-N 1 2 366.918 2.586 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1c1nccs1)C2 ZINC001097581867 1017666168 /nfs/dbraw/zinc/66/61/68/1017666168.db2.gz SFDLUUNNFCLBGR-KBXIAJHMSA-N 1 2 366.918 2.586 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)cs1 ZINC001097710862 1017829666 /nfs/dbraw/zinc/82/96/66/1017829666.db2.gz XAQITNCOZSTQHD-NUJGCVRESA-N 1 2 352.463 2.859 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)cs1 ZINC001097710862 1017829684 /nfs/dbraw/zinc/82/96/84/1017829684.db2.gz XAQITNCOZSTQHD-NUJGCVRESA-N 1 2 352.463 2.859 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C[C@H]21 ZINC001222069238 1032734295 /nfs/dbraw/zinc/73/42/95/1032734295.db2.gz KMAQSPYPORTWLD-DDUZABMNSA-N 1 2 350.409 2.589 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]21 ZINC001222069238 1032734312 /nfs/dbraw/zinc/73/43/12/1032734312.db2.gz KMAQSPYPORTWLD-DDUZABMNSA-N 1 2 350.409 2.589 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)cc(F)c1 ZINC001097879137 1018143260 /nfs/dbraw/zinc/14/32/60/1018143260.db2.gz BYNKGQASHNOHFD-QQXKLLMISA-N 1 2 362.420 2.777 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)cc(F)c1 ZINC001097879137 1018143268 /nfs/dbraw/zinc/14/32/68/1018143268.db2.gz BYNKGQASHNOHFD-QQXKLLMISA-N 1 2 362.420 2.777 20 30 FFEDLO CC[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cccc(C#N)c1O ZINC000926625893 1018185677 /nfs/dbraw/zinc/18/56/77/1018185677.db2.gz FBLDWBMWBMKQAR-GDBMZVCRSA-N 1 2 372.446 2.539 20 30 FFEDLO Cc1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)NCc3ccc(C)c(C#N)c3)C2)o1 ZINC000926860039 1018271888 /nfs/dbraw/zinc/27/18/88/1018271888.db2.gz FLZBMTCLVHYLNS-SFHVURJKSA-N 1 2 367.453 2.579 20 30 FFEDLO Cc1cnc(C[N@H+](C)[C@H]2CCN(C(=O)NCc3ccc(C)c(C#N)c3)C2)o1 ZINC000926860039 1018271897 /nfs/dbraw/zinc/27/18/97/1018271897.db2.gz FLZBMTCLVHYLNS-SFHVURJKSA-N 1 2 367.453 2.579 20 30 FFEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](CCNc3[nH+]cnc4c3cnn4C)C2)C1 ZINC001053514985 1018344738 /nfs/dbraw/zinc/34/47/38/1018344738.db2.gz XBHVLAKJDVFNNC-HUUCEWRRSA-N 1 2 368.485 2.616 20 30 FFEDLO CC(C)c1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)[nH]n1 ZINC001097896763 1018376871 /nfs/dbraw/zinc/37/68/71/1018376871.db2.gz AFJYVDQJJMCQRP-QFUCXCTJSA-N 1 2 362.477 2.920 20 30 FFEDLO CC(C)c1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)[nH]n1 ZINC001097896763 1018376879 /nfs/dbraw/zinc/37/68/79/1018376879.db2.gz AFJYVDQJJMCQRP-QFUCXCTJSA-N 1 2 362.477 2.920 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccccc3)C2)O1 ZINC001053675737 1018411929 /nfs/dbraw/zinc/41/19/29/1018411929.db2.gz RLQUTXSXRXDMSS-UFYCRDLUSA-N 1 2 370.493 2.517 20 30 FFEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CCOCC1 ZINC001096179830 1019140061 /nfs/dbraw/zinc/14/00/61/1019140061.db2.gz MMHYQYXTAGGTKP-QYZOEREBSA-N 1 2 353.466 2.596 20 30 FFEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CCOCC1 ZINC001096179830 1019140068 /nfs/dbraw/zinc/14/00/68/1019140068.db2.gz MMHYQYXTAGGTKP-QYZOEREBSA-N 1 2 353.466 2.596 20 30 FFEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001098052486 1019210237 /nfs/dbraw/zinc/21/02/37/1019210237.db2.gz IPRWEHXASLDCTK-NXHRZFHOSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001098052486 1019210245 /nfs/dbraw/zinc/21/02/45/1019210245.db2.gz IPRWEHXASLDCTK-NXHRZFHOSA-N 1 2 367.428 2.573 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001068728372 1019339339 /nfs/dbraw/zinc/33/93/39/1019339339.db2.gz FKLIMJYSHJJLTI-MSOLQXFVSA-N 1 2 370.497 2.681 20 30 FFEDLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2nccs2)C3)cc1C#N ZINC001098088516 1019400152 /nfs/dbraw/zinc/40/01/52/1019400152.db2.gz IAIKJXOPWWGEMJ-OAGGEKHMSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2nccs2)C3)cc1C#N ZINC001098088516 1019400165 /nfs/dbraw/zinc/40/01/65/1019400165.db2.gz IAIKJXOPWWGEMJ-OAGGEKHMSA-N 1 2 368.462 2.559 20 30 FFEDLO Cc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001095943569 1019438090 /nfs/dbraw/zinc/43/80/90/1019438090.db2.gz BUDIBONBNKHYAS-BVGQSLNGSA-N 1 2 352.463 2.859 20 30 FFEDLO Cc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001095943569 1019438102 /nfs/dbraw/zinc/43/81/02/1019438102.db2.gz BUDIBONBNKHYAS-BVGQSLNGSA-N 1 2 352.463 2.859 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001069687812 1019570971 /nfs/dbraw/zinc/57/09/71/1019570971.db2.gz UGOKYDMYQIMFGM-KURKYZTESA-N 1 2 358.486 2.584 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1C[NH+](Cc2ccc(OC)cc2)C1 ZINC001044026240 1019627808 /nfs/dbraw/zinc/62/78/08/1019627808.db2.gz WBQPDNUCVNKHTH-PMACEKPBSA-N 1 2 358.482 2.709 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccnc(Cl)c2)c1 ZINC001095987999 1019698088 /nfs/dbraw/zinc/69/80/88/1019698088.db2.gz QBXHOXYNCQSVBT-SQNIBIBYSA-N 1 2 366.852 2.647 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccnc(Cl)c2)c1 ZINC001095987999 1019698094 /nfs/dbraw/zinc/69/80/94/1019698094.db2.gz QBXHOXYNCQSVBT-SQNIBIBYSA-N 1 2 366.852 2.647 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2)CC1 ZINC000802084967 1019733026 /nfs/dbraw/zinc/73/30/26/1019733026.db2.gz RIUQIAAEUCYQQB-UHFFFAOYSA-N 1 2 351.498 2.670 20 30 FFEDLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2cccc(Cl)c2)CCOC1 ZINC001098105347 1019750953 /nfs/dbraw/zinc/75/09/53/1019750953.db2.gz ZEZPLPMBPXCYRL-WERVVEIQSA-N 1 2 372.896 2.840 20 30 FFEDLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2cccc(Cl)c2)CCOC1 ZINC001098105347 1019750968 /nfs/dbraw/zinc/75/09/68/1019750968.db2.gz ZEZPLPMBPXCYRL-WERVVEIQSA-N 1 2 372.896 2.840 20 30 FFEDLO Cc1cc(N2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)nc(C2CC2)[nH+]1 ZINC001045017838 1019780431 /nfs/dbraw/zinc/78/04/31/1019780431.db2.gz AVLDWRCEIXIIHT-WMZOPIPTSA-N 1 2 350.466 2.503 20 30 FFEDLO Cc1nc(N2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)c2c([nH+]1)CCCC2 ZINC001045019203 1019780590 /nfs/dbraw/zinc/78/05/90/1019780590.db2.gz XFRHZBAKTCZCEY-PXNSSMCTSA-N 1 2 364.493 2.504 20 30 FFEDLO CCC[C@@H]1CN(Cc2cncc(C#N)c2)CC[N@@H+]1Cc1cncc(C#N)c1 ZINC000930022213 1019815853 /nfs/dbraw/zinc/81/58/53/1019815853.db2.gz ULMKZGIGCOMUIH-OAQYLSRUSA-N 1 2 360.465 2.706 20 30 FFEDLO CCC[C@@H]1CN(Cc2cncc(C#N)c2)CC[N@H+]1Cc1cncc(C#N)c1 ZINC000930022213 1019815867 /nfs/dbraw/zinc/81/58/67/1019815867.db2.gz ULMKZGIGCOMUIH-OAQYLSRUSA-N 1 2 360.465 2.706 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)CC)CC1 ZINC001110983157 1019911019 /nfs/dbraw/zinc/91/10/19/1019911019.db2.gz IAKXPIXMGWFWNX-KURKYZTESA-N 1 2 361.530 2.759 20 30 FFEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)CC)CC1 ZINC001110983157 1019911026 /nfs/dbraw/zinc/91/10/26/1019911026.db2.gz IAKXPIXMGWFWNX-KURKYZTESA-N 1 2 361.530 2.759 20 30 FFEDLO Cc1nc(NC[C@@H]2C[C@H](C)CCN2C(=O)CCc2[nH]cc[nH+]2)ccc1C#N ZINC001048139528 1019926594 /nfs/dbraw/zinc/92/65/94/1019926594.db2.gz IKRZTWGNTANXPC-PBHICJAKSA-N 1 2 366.469 2.657 20 30 FFEDLO CC1(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001045467214 1019980570 /nfs/dbraw/zinc/98/05/70/1019980570.db2.gz JYDSZMUSBXRCDT-HZPDHXFCSA-N 1 2 369.494 2.617 20 30 FFEDLO NC(=[NH+]OC[C@@H]1C[C@@]12CCOC2)c1ccc(OCc2cccnc2)cc1 ZINC000902227241 1019990123 /nfs/dbraw/zinc/99/01/23/1019990123.db2.gz QYDSCXDUQAACLB-FXAWDEMLSA-N 1 2 353.422 2.724 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CCC(C(C)(C)C)CC2)C[C@H]1NCC#N ZINC001070714971 1020084039 /nfs/dbraw/zinc/08/40/39/1020084039.db2.gz OZPRPNFTMRASQG-OPQOLIRYSA-N 1 2 371.529 2.680 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)C2 ZINC001096045177 1020142221 /nfs/dbraw/zinc/14/22/21/1020142221.db2.gz LATPUZBRWGRJKD-TWGBQZSLSA-N 1 2 372.472 2.978 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)C2 ZINC001096045177 1020142225 /nfs/dbraw/zinc/14/22/25/1020142225.db2.gz LATPUZBRWGRJKD-TWGBQZSLSA-N 1 2 372.472 2.978 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110997925 1020176355 /nfs/dbraw/zinc/17/63/55/1020176355.db2.gz XCCDTLYKMHMVMG-LMCOJAPRSA-N 1 2 373.472 2.980 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110997925 1020176363 /nfs/dbraw/zinc/17/63/63/1020176363.db2.gz XCCDTLYKMHMVMG-LMCOJAPRSA-N 1 2 373.472 2.980 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccnc(Cl)c2)nc1 ZINC001096372360 1020260792 /nfs/dbraw/zinc/26/07/92/1020260792.db2.gz NXAIILRJIGFNFZ-NJAFHUGGSA-N 1 2 366.852 2.647 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccnc(Cl)c2)nc1 ZINC001096372360 1020260798 /nfs/dbraw/zinc/26/07/98/1020260798.db2.gz NXAIILRJIGFNFZ-NJAFHUGGSA-N 1 2 366.852 2.647 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)nc1 ZINC001096379621 1020289024 /nfs/dbraw/zinc/28/90/24/1020289024.db2.gz VHTXEMYPYLBHKE-QMMLZNLJSA-N 1 2 374.419 2.609 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)nc1 ZINC001096379621 1020289034 /nfs/dbraw/zinc/28/90/34/1020289034.db2.gz VHTXEMYPYLBHKE-QMMLZNLJSA-N 1 2 374.419 2.609 20 30 FFEDLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000900273031 1020322419 /nfs/dbraw/zinc/32/24/19/1020322419.db2.gz WSZXBFXQIQYYQJ-MRXNPFEDSA-N 1 2 373.453 2.583 20 30 FFEDLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000900273031 1020322422 /nfs/dbraw/zinc/32/24/22/1020322422.db2.gz WSZXBFXQIQYYQJ-MRXNPFEDSA-N 1 2 373.453 2.583 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OC)cc1OC)C2 ZINC001096419336 1020473489 /nfs/dbraw/zinc/47/34/89/1020473489.db2.gz HDLPLOPSJQGQBH-KCXAZCMYSA-N 1 2 350.846 2.791 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OC)cc1OC)C2 ZINC001096419336 1020473494 /nfs/dbraw/zinc/47/34/94/1020473494.db2.gz HDLPLOPSJQGQBH-KCXAZCMYSA-N 1 2 350.846 2.791 20 30 FFEDLO CCc1oncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001096092553 1020609981 /nfs/dbraw/zinc/60/99/81/1020609981.db2.gz LYBPQTGZDCNTOP-JLSDUUJJSA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1oncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001096092553 1020609991 /nfs/dbraw/zinc/60/99/91/1020609991.db2.gz LYBPQTGZDCNTOP-JLSDUUJJSA-N 1 2 368.412 2.783 20 30 FFEDLO CCc1oncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001096092351 1020618365 /nfs/dbraw/zinc/61/83/65/1020618365.db2.gz CACFMOIBBHFBFS-NJAFHUGGSA-N 1 2 350.422 2.644 20 30 FFEDLO CCc1oncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001096092351 1020618367 /nfs/dbraw/zinc/61/83/67/1020618367.db2.gz CACFMOIBBHFBFS-NJAFHUGGSA-N 1 2 350.422 2.644 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903020809 1020631229 /nfs/dbraw/zinc/63/12/29/1020631229.db2.gz HBHFKXQMLCAKMP-WFASDCNBSA-N 1 2 370.844 2.515 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903020809 1020631232 /nfs/dbraw/zinc/63/12/32/1020631232.db2.gz HBHFKXQMLCAKMP-WFASDCNBSA-N 1 2 370.844 2.515 20 30 FFEDLO C=CCCn1cc(C[N@@H+]2Cc3ccccc3OC3(CCOCC3)C2)nn1 ZINC000932039767 1020682676 /nfs/dbraw/zinc/68/26/76/1020682676.db2.gz VZOSGWCXXYZQPK-UHFFFAOYSA-N 1 2 354.454 2.798 20 30 FFEDLO C=CCCn1cc(C[N@H+]2Cc3ccccc3OC3(CCOCC3)C2)nn1 ZINC000932039767 1020682702 /nfs/dbraw/zinc/68/27/02/1020682702.db2.gz VZOSGWCXXYZQPK-UHFFFAOYSA-N 1 2 354.454 2.798 20 30 FFEDLO Cc1nc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)cs1 ZINC001098341138 1020841284 /nfs/dbraw/zinc/84/12/84/1020841284.db2.gz JEHWPTMZZWUPNZ-QRVBRYPASA-N 1 2 366.490 2.787 20 30 FFEDLO Cc1nc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)cs1 ZINC001098341138 1020841290 /nfs/dbraw/zinc/84/12/90/1020841290.db2.gz JEHWPTMZZWUPNZ-QRVBRYPASA-N 1 2 366.490 2.787 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(CC)o3)[C@H]2C1 ZINC001222392773 1032938603 /nfs/dbraw/zinc/93/86/03/1032938603.db2.gz QAVVXRIBKXZQAN-NUJGCVRESA-N 1 2 361.486 2.641 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(CC)o3)[C@H]2C1 ZINC001222392773 1032938612 /nfs/dbraw/zinc/93/86/12/1032938612.db2.gz QAVVXRIBKXZQAN-NUJGCVRESA-N 1 2 361.486 2.641 20 30 FFEDLO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933625740 1021051960 /nfs/dbraw/zinc/05/19/60/1021051960.db2.gz RTQQYDGPDMHIGR-PZJWPPBQSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933625740 1021051964 /nfs/dbraw/zinc/05/19/64/1021051964.db2.gz RTQQYDGPDMHIGR-PZJWPPBQSA-N 1 2 352.434 2.680 20 30 FFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(C#N)cc1C1CC1 ZINC000933853188 1021101997 /nfs/dbraw/zinc/10/19/97/1021101997.db2.gz JSVBYSMGSASNBP-PBHICJAKSA-N 1 2 354.454 2.763 20 30 FFEDLO Cn1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cc(F)ccc2C#N)C3)c1 ZINC001098788950 1021145645 /nfs/dbraw/zinc/14/56/45/1021145645.db2.gz HIQBIULCEQCZNU-RXVVDRJESA-N 1 2 366.440 2.820 20 30 FFEDLO Cn1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cc(F)ccc2C#N)C3)c1 ZINC001098788950 1021145646 /nfs/dbraw/zinc/14/56/46/1021145646.db2.gz HIQBIULCEQCZNU-RXVVDRJESA-N 1 2 366.440 2.820 20 30 FFEDLO C=CC[C@H]1CC[N@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000934470753 1021251069 /nfs/dbraw/zinc/25/10/69/1021251069.db2.gz QMYIOXUNMBGABQ-WFASDCNBSA-N 1 2 367.371 2.943 20 30 FFEDLO C=CC[C@H]1CC[N@@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000934470753 1021251083 /nfs/dbraw/zinc/25/10/83/1021251083.db2.gz QMYIOXUNMBGABQ-WFASDCNBSA-N 1 2 367.371 2.943 20 30 FFEDLO C=C(C)CCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3oc(C(C)C)nc3C)C[C@@H]21 ZINC001218037725 1032965145 /nfs/dbraw/zinc/96/51/45/1032965145.db2.gz PVYIOFZNIBBUQH-FUHWJXTLSA-N 1 2 361.486 2.874 20 30 FFEDLO C=C(C)CCC(=O)N1CCO[C@@H]2C[N@H+](Cc3oc(C(C)C)nc3C)C[C@@H]21 ZINC001218037725 1032965157 /nfs/dbraw/zinc/96/51/57/1032965157.db2.gz PVYIOFZNIBBUQH-FUHWJXTLSA-N 1 2 361.486 2.874 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)s1)C2 ZINC001098876655 1021292892 /nfs/dbraw/zinc/29/28/92/1021292892.db2.gz QPFDWBQRNMBSRP-KXBFYZLASA-N 1 2 371.510 2.619 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)s1)C2 ZINC001098876655 1021292900 /nfs/dbraw/zinc/29/29/00/1021292900.db2.gz QPFDWBQRNMBSRP-KXBFYZLASA-N 1 2 371.510 2.619 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2CC[N@H+](Cc3cn(-c4ccccc4)nn3)[C@H]2C1 ZINC001222432771 1032969670 /nfs/dbraw/zinc/96/96/70/1032969670.db2.gz XRUMPJZGTRIFPB-XLIONFOSSA-N 1 2 365.481 2.656 20 30 FFEDLO C=CCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(-c4ccccc4)nn3)[C@H]2C1 ZINC001222432771 1032969683 /nfs/dbraw/zinc/96/96/83/1032969683.db2.gz XRUMPJZGTRIFPB-XLIONFOSSA-N 1 2 365.481 2.656 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1nc(C)cc1C)C2 ZINC001111078470 1021343309 /nfs/dbraw/zinc/34/33/09/1021343309.db2.gz ZYVZHWAYMRZAAQ-ZACQAIPSSA-N 1 2 350.894 2.754 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1nc(C)cc1C)C2 ZINC001111078470 1021343324 /nfs/dbraw/zinc/34/33/24/1021343324.db2.gz ZYVZHWAYMRZAAQ-ZACQAIPSSA-N 1 2 350.894 2.754 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@H](C)c2nnc(C)o2)C3)cc1 ZINC001098969328 1021502569 /nfs/dbraw/zinc/50/25/69/1021502569.db2.gz HQMUZTUDZYHXGU-IBZMOEQTSA-N 1 2 364.449 2.705 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@H](C)c2nnc(C)o2)C3)cc1 ZINC001098969328 1021502577 /nfs/dbraw/zinc/50/25/77/1021502577.db2.gz HQMUZTUDZYHXGU-IBZMOEQTSA-N 1 2 364.449 2.705 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc3ccccc3o2)C1 ZINC001015816987 1021960480 /nfs/dbraw/zinc/96/04/80/1021960480.db2.gz RKUGXORBJSOLCB-FTRWYGJKSA-N 1 2 369.465 2.890 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC001015816987 1021960489 /nfs/dbraw/zinc/96/04/89/1021960489.db2.gz RKUGXORBJSOLCB-FTRWYGJKSA-N 1 2 369.465 2.890 20 30 FFEDLO CC[C@H](F)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001099289977 1022233001 /nfs/dbraw/zinc/23/30/01/1022233001.db2.gz JRJGAPLATCXBKE-QLFBSQMISA-N 1 2 357.351 2.785 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@@H]4[C@H](C3)C4(F)F)CC2)cc1 ZINC001118608597 1022314105 /nfs/dbraw/zinc/31/41/05/1022314105.db2.gz KFHLWKCDBFXMIJ-KURKYZTESA-N 1 2 359.420 2.884 20 30 FFEDLO COC[C@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001111208476 1022417112 /nfs/dbraw/zinc/41/71/12/1022417112.db2.gz NDPQGUFZUQMWNM-AZFSHXRASA-N 1 2 359.445 2.591 20 30 FFEDLO COC[C@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001111208476 1022417117 /nfs/dbraw/zinc/41/71/17/1022417117.db2.gz NDPQGUFZUQMWNM-AZFSHXRASA-N 1 2 359.445 2.591 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001019487880 1022480266 /nfs/dbraw/zinc/48/02/66/1022480266.db2.gz GPQSKIHLYJHPGX-BXWFABGCSA-N 1 2 359.470 2.614 20 30 FFEDLO CCOC1CC(CNc2ncc(C#N)c3ccsc32)([NH+]2CCOCC2)C1 ZINC000601154783 1022699316 /nfs/dbraw/zinc/69/93/16/1022699316.db2.gz XCISKTVTDUORLU-UHFFFAOYSA-N 1 2 372.494 2.850 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cc(F)ccc1OC ZINC001038795727 1022705706 /nfs/dbraw/zinc/70/57/06/1022705706.db2.gz AZLJCYGDFVRNGV-AOIWGVFYSA-N 1 2 362.445 2.506 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cc(F)ccc1OC ZINC001038795727 1022705720 /nfs/dbraw/zinc/70/57/20/1022705720.db2.gz AZLJCYGDFVRNGV-AOIWGVFYSA-N 1 2 362.445 2.506 20 30 FFEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1C#N ZINC001038812172 1022716392 /nfs/dbraw/zinc/71/63/92/1022716392.db2.gz ZBAGUXGVWBPWPC-GBESFXJTSA-N 1 2 353.466 2.694 20 30 FFEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1C#N ZINC001038812172 1022716414 /nfs/dbraw/zinc/71/64/14/1022716414.db2.gz ZBAGUXGVWBPWPC-GBESFXJTSA-N 1 2 353.466 2.694 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ccc2[nH]ccc2n1 ZINC001095752755 1022732369 /nfs/dbraw/zinc/73/23/69/1022732369.db2.gz ADQYYJJQFIXYJJ-WTNAPCKOSA-N 1 2 370.456 2.950 20 30 FFEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ccc2[nH]ccc2n1 ZINC001095752755 1022732386 /nfs/dbraw/zinc/73/23/86/1022732386.db2.gz ADQYYJJQFIXYJJ-WTNAPCKOSA-N 1 2 370.456 2.950 20 30 FFEDLO CC(C)c1cc(N2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC001040542032 1022891140 /nfs/dbraw/zinc/89/11/40/1022891140.db2.gz WQUWHQFQOKBDKN-YQQAZPJKSA-N 1 2 355.486 2.920 20 30 FFEDLO C=C(C)Cn1c(N2Cc3ccccc3[C@H]2C)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001122396027 1023241900 /nfs/dbraw/zinc/24/19/00/1023241900.db2.gz VLHJSEDORDSWSP-KUDFPVQQSA-N 1 2 367.497 2.847 20 30 FFEDLO C=C(C)Cn1c(N2Cc3ccccc3[C@H]2C)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001122396027 1023241907 /nfs/dbraw/zinc/24/19/07/1023241907.db2.gz VLHJSEDORDSWSP-KUDFPVQQSA-N 1 2 367.497 2.847 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCO[C@H](c2ccco2)C1 ZINC001122441188 1023270419 /nfs/dbraw/zinc/27/04/19/1023270419.db2.gz QGEWVFDWWFCFFL-RDJZCZTQSA-N 1 2 357.458 2.792 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCO[C@H](c2ccco2)C1 ZINC001122441188 1023270426 /nfs/dbraw/zinc/27/04/26/1023270426.db2.gz QGEWVFDWWFCFFL-RDJZCZTQSA-N 1 2 357.458 2.792 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001122478932 1023295128 /nfs/dbraw/zinc/29/51/28/1023295128.db2.gz NENMKRSQZMIPCC-GOSISDBHSA-N 1 2 373.545 2.851 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001122529885 1023321821 /nfs/dbraw/zinc/32/18/21/1023321821.db2.gz QYWSEHPQSPSSPU-HZSPNIEDSA-N 1 2 373.423 2.777 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001122529885 1023321822 /nfs/dbraw/zinc/32/18/22/1023321822.db2.gz QYWSEHPQSPSSPU-HZSPNIEDSA-N 1 2 373.423 2.777 20 30 FFEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCO[C@@H](C)C1 ZINC001122541121 1023329257 /nfs/dbraw/zinc/32/92/57/1023329257.db2.gz ZSVFILKFQJWMCT-DLBZAZTESA-N 1 2 358.490 2.911 20 30 FFEDLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753934778 1023402334 /nfs/dbraw/zinc/40/23/34/1023402334.db2.gz KLUPFRXPAVUTEC-IRXDYDNUSA-N 1 2 372.423 2.961 20 30 FFEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCO[C@H]1C(C)C ZINC000948919768 1023413004 /nfs/dbraw/zinc/41/30/04/1023413004.db2.gz QXEZSAIXGDICAK-ACRUOGEOSA-N 1 2 354.494 2.786 20 30 FFEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCO[C@H]1C(C)C ZINC000948919768 1023413009 /nfs/dbraw/zinc/41/30/09/1023413009.db2.gz QXEZSAIXGDICAK-ACRUOGEOSA-N 1 2 354.494 2.786 20 30 FFEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC000948969592 1023427609 /nfs/dbraw/zinc/42/76/09/1023427609.db2.gz KKQFFYNIPVBUBZ-HBMCJLEFSA-N 1 2 352.478 2.707 20 30 FFEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC000948969592 1023427613 /nfs/dbraw/zinc/42/76/13/1023427613.db2.gz KKQFFYNIPVBUBZ-HBMCJLEFSA-N 1 2 352.478 2.707 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1Cc1cccs1 ZINC001122950084 1023570633 /nfs/dbraw/zinc/57/06/33/1023570633.db2.gz GHPAJMWKURVHEE-DOTOQJQBSA-N 1 2 373.526 2.628 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1Cc1cccs1 ZINC001122950084 1023570638 /nfs/dbraw/zinc/57/06/38/1023570638.db2.gz GHPAJMWKURVHEE-DOTOQJQBSA-N 1 2 373.526 2.628 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCCCO1 ZINC001123159795 1023662508 /nfs/dbraw/zinc/66/25/08/1023662508.db2.gz ZWQJBPLTWZCCKI-SQGPQFPESA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCCCO1 ZINC001123159795 1023662510 /nfs/dbraw/zinc/66/25/10/1023662510.db2.gz ZWQJBPLTWZCCKI-SQGPQFPESA-N 1 2 372.517 2.744 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)c1ncoc1C1CC1 ZINC001123462680 1023814043 /nfs/dbraw/zinc/81/40/43/1023814043.db2.gz MSRQEPGBKGNLAC-UHFFFAOYSA-N 1 2 372.446 2.654 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@H](C(C)(C)C)CC1 ZINC001121510187 1023818266 /nfs/dbraw/zinc/81/82/66/1023818266.db2.gz MQYQTJXBXPPDLG-BBWFWOEESA-N 1 2 361.534 2.854 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@H](C(C)(C)C)CC1 ZINC001121510187 1023818275 /nfs/dbraw/zinc/81/82/75/1023818275.db2.gz MQYQTJXBXPPDLG-BBWFWOEESA-N 1 2 361.534 2.854 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC(c2ccccc2)CC1 ZINC001121510553 1023818341 /nfs/dbraw/zinc/81/83/41/1023818341.db2.gz QIGDYWLXUBFNCR-OALUTQOASA-N 1 2 367.497 2.586 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC(c2ccccc2)CC1 ZINC001121510553 1023818347 /nfs/dbraw/zinc/81/83/47/1023818347.db2.gz QIGDYWLXUBFNCR-OALUTQOASA-N 1 2 367.497 2.586 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2c2ccccc2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001121607571 1023877744 /nfs/dbraw/zinc/87/77/44/1023877744.db2.gz OPPIRFXKXHHNSZ-WAOWUJCRSA-N 1 2 367.497 2.717 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2c2ccccc2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121607571 1023877752 /nfs/dbraw/zinc/87/77/52/1023877752.db2.gz OPPIRFXKXHHNSZ-WAOWUJCRSA-N 1 2 367.497 2.717 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@@H](C2CCCC2)C1 ZINC001121610169 1023880069 /nfs/dbraw/zinc/88/00/69/1023880069.db2.gz QXDPXQXZDUKGBP-KURKYZTESA-N 1 2 359.518 2.608 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H](C2CCCC2)C1 ZINC001121610169 1023880081 /nfs/dbraw/zinc/88/00/81/1023880081.db2.gz QXDPXQXZDUKGBP-KURKYZTESA-N 1 2 359.518 2.608 20 30 FFEDLO C#CCCOc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 ZINC000758029746 1023908046 /nfs/dbraw/zinc/90/80/46/1023908046.db2.gz NRWKTFRMQIQIOP-HKUYNNGSSA-N 1 2 369.465 2.937 20 30 FFEDLO COC1CCC(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000758118565 1023933431 /nfs/dbraw/zinc/93/34/31/1023933431.db2.gz RMCFDGXDDUMNFC-UHFFFAOYSA-N 1 2 355.482 2.798 20 30 FFEDLO N#Cc1cccn(C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)c1=O ZINC000758213080 1023966637 /nfs/dbraw/zinc/96/66/37/1023966637.db2.gz BLPOLAGBCHHIRS-UHFFFAOYSA-N 1 2 362.408 2.956 20 30 FFEDLO N#Cc1cccn(C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)c1=O ZINC000758213080 1023966651 /nfs/dbraw/zinc/96/66/51/1023966651.db2.gz BLPOLAGBCHHIRS-UHFFFAOYSA-N 1 2 362.408 2.956 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1(Nc2cc[nH+]c(C)n2)CCCCCC1 ZINC001095813413 1023975423 /nfs/dbraw/zinc/97/54/23/1023975423.db2.gz DSGWKRNFRQIBOR-SJORKVTESA-N 1 2 358.486 2.997 20 30 FFEDLO CC(C)(C)C#CC(=O)N1C[C@H]2C[N@H+](Cc3nc(C4CCC4)no3)C[C@@]2(C)C1 ZINC001101232280 1024144445 /nfs/dbraw/zinc/14/44/45/1024144445.db2.gz PCNHYFGBNUXTFT-IERDGZPVSA-N 1 2 370.497 2.667 20 30 FFEDLO CC(C)(C)C#CC(=O)N1C[C@H]2C[N@@H+](Cc3nc(C4CCC4)no3)C[C@@]2(C)C1 ZINC001101232280 1024144460 /nfs/dbraw/zinc/14/44/60/1024144460.db2.gz PCNHYFGBNUXTFT-IERDGZPVSA-N 1 2 370.497 2.667 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3oc(CC)nc3C)C[C@@H]21 ZINC001218523771 1033201296 /nfs/dbraw/zinc/20/12/96/1033201296.db2.gz PONCETGXEPDZKN-QILLFSRXSA-N 1 2 361.486 2.559 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3oc(CC)nc3C)C[C@@H]21 ZINC001218523771 1033201301 /nfs/dbraw/zinc/20/13/01/1033201301.db2.gz PONCETGXEPDZKN-QILLFSRXSA-N 1 2 361.486 2.559 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101336768 1024484425 /nfs/dbraw/zinc/48/44/25/1024484425.db2.gz PDBPFNYNCRIPRT-QINHECLXSA-N 1 2 359.518 2.811 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101336768 1024484433 /nfs/dbraw/zinc/48/44/33/1024484433.db2.gz PDBPFNYNCRIPRT-QINHECLXSA-N 1 2 359.518 2.811 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(CC)s3)C[C@@]2(C)C1 ZINC001101379134 1024588066 /nfs/dbraw/zinc/58/80/66/1024588066.db2.gz XGZFXMUCKZIXSJ-KUHUBIRLSA-N 1 2 362.543 2.983 20 30 FFEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(CC)s3)C[C@@]2(C)C1 ZINC001101379134 1024588069 /nfs/dbraw/zinc/58/80/69/1024588069.db2.gz XGZFXMUCKZIXSJ-KUHUBIRLSA-N 1 2 362.543 2.983 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](CCc2ccccc2F)CC1 ZINC000951594357 1024603697 /nfs/dbraw/zinc/60/36/97/1024603697.db2.gz BAMRDIAQHVWRHI-ICSRJNTNSA-N 1 2 360.473 2.884 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000951699691 1024661666 /nfs/dbraw/zinc/66/16/66/1024661666.db2.gz LEFBQGLLNQUAKW-UXPWSPDFSA-N 1 2 358.482 2.882 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](CCOC2CCCCCC2)C1 ZINC000951785310 1024701709 /nfs/dbraw/zinc/70/17/09/1024701709.db2.gz IFYSTKGSJFEXGW-UXHICEINSA-N 1 2 364.530 2.850 20 30 FFEDLO C=CCCC(=O)NC[C@@H]1C[N@@H+](Cc2noc(-c3ccccc3)n2)C[C@H]1C ZINC001101806452 1025067117 /nfs/dbraw/zinc/06/71/17/1025067117.db2.gz QZAISBCNHXAZCP-NVXWUHKLSA-N 1 2 354.454 2.887 20 30 FFEDLO C=CCCC(=O)NC[C@@H]1C[N@H+](Cc2noc(-c3ccccc3)n2)C[C@H]1C ZINC001101806452 1025067134 /nfs/dbraw/zinc/06/71/34/1025067134.db2.gz QZAISBCNHXAZCP-NVXWUHKLSA-N 1 2 354.454 2.887 20 30 FFEDLO COc1ccnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)c1 ZINC001095856638 1025093275 /nfs/dbraw/zinc/09/32/75/1025093275.db2.gz FZPDTZCHDGQAAZ-PUECVXPYSA-N 1 2 368.462 2.559 20 30 FFEDLO COc1ccnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)c1 ZINC001095856638 1025093285 /nfs/dbraw/zinc/09/32/85/1025093285.db2.gz FZPDTZCHDGQAAZ-PUECVXPYSA-N 1 2 368.462 2.559 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2nnc(C(C)C)[nH]2)C[C@H]1C ZINC001102002475 1025281343 /nfs/dbraw/zinc/28/13/43/1025281343.db2.gz LWXIMMMPSNJXCZ-TZMCWYRMSA-N 1 2 367.925 2.891 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2nnc(C(C)C)[nH]2)C[C@H]1C ZINC001102002475 1025281355 /nfs/dbraw/zinc/28/13/55/1025281355.db2.gz LWXIMMMPSNJXCZ-TZMCWYRMSA-N 1 2 367.925 2.891 20 30 FFEDLO COc1cc(N2CCN(Cc3sc(N)c(C#N)c3Cl)CC2)cc[nH+]1 ZINC001141113049 1025473061 /nfs/dbraw/zinc/47/30/61/1025473061.db2.gz ATXGQZZPTLHAIO-UHFFFAOYSA-N 1 2 363.874 2.581 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3sc(N)c(C#N)c3Cl)C[C@@H]21 ZINC001141113526 1025474946 /nfs/dbraw/zinc/47/49/46/1025474946.db2.gz JCXNCQQSEFXMEC-KOLCDFICSA-N 1 2 368.890 2.906 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3sc(N)c(C#N)c3Cl)C[C@@H]21 ZINC001141113526 1025474951 /nfs/dbraw/zinc/47/49/51/1025474951.db2.gz JCXNCQQSEFXMEC-KOLCDFICSA-N 1 2 368.890 2.906 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001102176473 1025532179 /nfs/dbraw/zinc/53/21/79/1025532179.db2.gz NWQYQSYKQJYPRT-KURKYZTESA-N 1 2 352.438 2.646 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001102219711 1025601069 /nfs/dbraw/zinc/60/10/69/1025601069.db2.gz REMPMDKCYXHSPV-VXGBXAGGSA-N 1 2 356.417 2.794 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001102219711 1025601078 /nfs/dbraw/zinc/60/10/78/1025601078.db2.gz REMPMDKCYXHSPV-VXGBXAGGSA-N 1 2 356.417 2.794 20 30 FFEDLO C=C[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2nncs2)C[C@H]1C)c1ccccc1 ZINC001102591925 1026372212 /nfs/dbraw/zinc/37/22/12/1026372212.db2.gz GBNUQLQZFWLKPO-DJIMGWMZSA-N 1 2 356.495 2.692 20 30 FFEDLO C=C[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2nncs2)C[C@H]1C)c1ccccc1 ZINC001102591925 1026372217 /nfs/dbraw/zinc/37/22/17/1026372217.db2.gz GBNUQLQZFWLKPO-DJIMGWMZSA-N 1 2 356.495 2.692 20 30 FFEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OC ZINC000839168600 1026609662 /nfs/dbraw/zinc/60/96/62/1026609662.db2.gz LNWCXMHHHOIPPQ-NCOADZHNSA-N 1 2 364.486 2.709 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000956411407 1026853981 /nfs/dbraw/zinc/85/39/81/1026853981.db2.gz BBZZQZQYEKUGOJ-SPYBWZPUSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000956411407 1026853986 /nfs/dbraw/zinc/85/39/86/1026853986.db2.gz BBZZQZQYEKUGOJ-SPYBWZPUSA-N 1 2 358.486 2.613 20 30 FFEDLO CC[C@@H](C#N)Oc1cc(CNc2cc(NC[C@@H](C)O)[nH+]cn2)ccc1OC ZINC000840262099 1027023902 /nfs/dbraw/zinc/02/39/02/1027023902.db2.gz CJMUEEATZZZEOS-HIFRSBDPSA-N 1 2 371.441 2.571 20 30 FFEDLO CC[C@@H](C#N)Oc1cc(CNc2cc(NC[C@@H](C)O)nc[nH+]2)ccc1OC ZINC000840262099 1027023910 /nfs/dbraw/zinc/02/39/10/1027023910.db2.gz CJMUEEATZZZEOS-HIFRSBDPSA-N 1 2 371.441 2.571 20 30 FFEDLO N#Cc1cccc(OCc2cccc(C(=O)N[C@H]3Cc4c[nH+]cn4C3)c2)c1 ZINC001158851269 1027159756 /nfs/dbraw/zinc/15/97/56/1027159756.db2.gz GCZJQLXSGITDRV-SFHVURJKSA-N 1 2 358.401 2.688 20 30 FFEDLO C#CC[NH+](CC#C)Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12 ZINC001141971024 1027234941 /nfs/dbraw/zinc/23/49/41/1027234941.db2.gz QNTTYVDLKCCTDC-UHFFFAOYSA-N 1 2 362.454 2.947 20 30 FFEDLO Cc1ccc(NC(=O)OC(C)(C)C)c(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000840757201 1027240070 /nfs/dbraw/zinc/24/00/70/1027240070.db2.gz IOLWWJUQDUFOSU-HNNXBMFYSA-N 1 2 363.458 2.927 20 30 FFEDLO Cc1ccc(NC(=O)OC(C)(C)C)c(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000840757201 1027240082 /nfs/dbraw/zinc/24/00/82/1027240082.db2.gz IOLWWJUQDUFOSU-HNNXBMFYSA-N 1 2 363.458 2.927 20 30 FFEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001153484960 1027902287 /nfs/dbraw/zinc/90/22/87/1027902287.db2.gz JTBQRVYGJUTQQD-VNQPRFMTSA-N 1 2 366.303 2.920 20 30 FFEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001153484960 1027902308 /nfs/dbraw/zinc/90/23/08/1027902308.db2.gz JTBQRVYGJUTQQD-VNQPRFMTSA-N 1 2 366.303 2.920 20 30 FFEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001155379179 1028707692 /nfs/dbraw/zinc/70/76/92/1028707692.db2.gz YPINIDLTKVDHFK-VNQPRFMTSA-N 1 2 366.303 2.920 20 30 FFEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001155379179 1028707679 /nfs/dbraw/zinc/70/76/79/1028707679.db2.gz YPINIDLTKVDHFK-VNQPRFMTSA-N 1 2 366.303 2.920 20 30 FFEDLO COCCn1c(=O)ccc2c1CC[C@H](Nc1[nH+]ccc3ccc(C#N)cc31)C2 ZINC001155796167 1028915841 /nfs/dbraw/zinc/91/58/41/1028915841.db2.gz HOMKOBRJKMQAQP-SFHVURJKSA-N 1 2 374.444 2.884 20 30 FFEDLO COCCn1c(=O)ccc2c1CC[C@@H](Nc1[nH+]ccc3ccc(C#N)cc31)C2 ZINC001155796162 1028916042 /nfs/dbraw/zinc/91/60/42/1028916042.db2.gz HOMKOBRJKMQAQP-GOSISDBHSA-N 1 2 374.444 2.884 20 30 FFEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H](O)c2ccc(C#N)cc2)c(C)c1 ZINC000780994196 1028921574 /nfs/dbraw/zinc/92/15/74/1028921574.db2.gz SAADHOHGCPCFHG-RTWAWAEBSA-N 1 2 374.444 2.963 20 30 FFEDLO C=CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncc(C(C)(C)C)o1)C2 ZINC001111662402 1029082788 /nfs/dbraw/zinc/08/27/88/1029082788.db2.gz VRRXLCCBRKLNNW-YWZLYKJASA-N 1 2 361.486 2.645 20 30 FFEDLO C=CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncc(C(C)(C)C)o1)C2 ZINC001111662402 1029082808 /nfs/dbraw/zinc/08/28/08/1029082808.db2.gz VRRXLCCBRKLNNW-YWZLYKJASA-N 1 2 361.486 2.645 20 30 FFEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)cc1 ZINC000781352579 1029158477 /nfs/dbraw/zinc/15/84/77/1029158477.db2.gz XQEKWJXLZDWRAL-NRFANRHFSA-N 1 2 362.408 2.975 20 30 FFEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)cc1 ZINC000781352579 1029158484 /nfs/dbraw/zinc/15/84/84/1029158484.db2.gz XQEKWJXLZDWRAL-NRFANRHFSA-N 1 2 362.408 2.975 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(C(C)C)no1)C2 ZINC001111711428 1029210514 /nfs/dbraw/zinc/21/05/14/1029210514.db2.gz SRRGPQUQZWWEQX-JXFKEZNVSA-N 1 2 358.486 2.857 20 30 FFEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(C(C)C)no1)C2 ZINC001111711428 1029210531 /nfs/dbraw/zinc/21/05/31/1029210531.db2.gz SRRGPQUQZWWEQX-JXFKEZNVSA-N 1 2 358.486 2.857 20 30 FFEDLO O=C(C#CC1CC1)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(C3CCCC3)no1)C2 ZINC001111740765 1029302948 /nfs/dbraw/zinc/30/29/48/1029302948.db2.gz MNUAUYGPIBEFBV-UWJYYQICSA-N 1 2 368.481 2.611 20 30 FFEDLO O=C(C#CC1CC1)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(C3CCCC3)no1)C2 ZINC001111740765 1029302958 /nfs/dbraw/zinc/30/29/58/1029302958.db2.gz MNUAUYGPIBEFBV-UWJYYQICSA-N 1 2 368.481 2.611 20 30 FFEDLO CCCc1noc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)n1 ZINC001111741834 1029308222 /nfs/dbraw/zinc/30/82/22/1029308222.db2.gz RCNPNOCRRYWRFS-YWZLYKJASA-N 1 2 358.486 2.542 20 30 FFEDLO CCCc1noc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)n1 ZINC001111741834 1029308232 /nfs/dbraw/zinc/30/82/32/1029308232.db2.gz RCNPNOCRRYWRFS-YWZLYKJASA-N 1 2 358.486 2.542 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1C(C)(C)C)C2 ZINC001111741809 1029308936 /nfs/dbraw/zinc/30/89/36/1029308936.db2.gz QBYMZKSGLGDKLC-KKSFZXQISA-N 1 2 371.529 2.553 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1C(C)(C)C)C2 ZINC001111741809 1029308940 /nfs/dbraw/zinc/30/89/40/1029308940.db2.gz QBYMZKSGLGDKLC-KKSFZXQISA-N 1 2 371.529 2.553 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C3CC3)n1C)C2 ZINC001111763957 1029379615 /nfs/dbraw/zinc/37/96/15/1029379615.db2.gz QYPUAADBFIUGRO-JXFKEZNVSA-N 1 2 357.502 2.520 20 30 FFEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C3CC3)n1C)C2 ZINC001111763957 1029379623 /nfs/dbraw/zinc/37/96/23/1029379623.db2.gz QYPUAADBFIUGRO-JXFKEZNVSA-N 1 2 357.502 2.520 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(CC)no1)C2 ZINC001111833682 1029583054 /nfs/dbraw/zinc/58/30/54/1029583054.db2.gz CRVBLZHJRZDSQU-JXFKEZNVSA-N 1 2 358.486 2.686 20 30 FFEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(CC)no1)C2 ZINC001111833682 1029583062 /nfs/dbraw/zinc/58/30/62/1029583062.db2.gz CRVBLZHJRZDSQU-JXFKEZNVSA-N 1 2 358.486 2.686 20 30 FFEDLO C=CC1(CC(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2nncn2C)C3)CCCCC1 ZINC001111901672 1029700377 /nfs/dbraw/zinc/70/03/77/1029700377.db2.gz UHDZUOKBRCBBBJ-UWJYYQICSA-N 1 2 371.529 2.812 20 30 FFEDLO C=CC1(CC(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2nncn2C)C3)CCCCC1 ZINC001111901672 1029700386 /nfs/dbraw/zinc/70/03/86/1029700386.db2.gz UHDZUOKBRCBBBJ-UWJYYQICSA-N 1 2 371.529 2.812 20 30 FFEDLO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)nn3)CC2)cc1 ZINC001142078714 1029983873 /nfs/dbraw/zinc/98/38/73/1029983873.db2.gz OMVYBGOOQUIHJR-UHFFFAOYSA-N 1 2 370.844 2.788 20 30 FFEDLO CC(C)C#CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ncoc2C(C)C)C1 ZINC001112099645 1030002167 /nfs/dbraw/zinc/00/21/67/1030002167.db2.gz FBYUUEDYUHMNJT-UKRRQHHQSA-N 1 2 371.403 2.936 20 30 FFEDLO C#CCC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3nccs3)C2)CCC1 ZINC001112114194 1030037582 /nfs/dbraw/zinc/03/75/82/1030037582.db2.gz DDUXLZWSGHKJGZ-CHWSQXEVSA-N 1 2 371.428 2.816 20 30 FFEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cnc(SC)nc1Cl)CC2 ZINC001142417738 1030415198 /nfs/dbraw/zinc/41/51/98/1030415198.db2.gz UEQZLRBKWZEUFY-UHFFFAOYSA-N 1 2 366.918 2.995 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)c1 ZINC000784337181 1030577911 /nfs/dbraw/zinc/57/79/11/1030577911.db2.gz MVCUZGGHDLUVRQ-UHFFFAOYSA-N 1 2 368.437 2.988 20 30 FFEDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1cccc(C#N)c1 ZINC001203757832 1030867742 /nfs/dbraw/zinc/86/77/42/1030867742.db2.gz QBUBTAPPSMWMSI-LJQANCHMSA-N 1 2 351.454 2.571 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC(C)C)c1C#N ZINC000796718924 1030894103 /nfs/dbraw/zinc/89/41/03/1030894103.db2.gz XNMUZAGDNKMXNG-MRXNPFEDSA-N 1 2 373.453 2.834 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2COC(=O)NC(C)C)c1C#N ZINC000796718924 1030894125 /nfs/dbraw/zinc/89/41/25/1030894125.db2.gz XNMUZAGDNKMXNG-MRXNPFEDSA-N 1 2 373.453 2.834 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c1F ZINC001143169503 1031281189 /nfs/dbraw/zinc/28/11/89/1031281189.db2.gz HNVQDVAQLGNOBX-OKILXGFUSA-N 1 2 360.433 2.857 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c1F ZINC001143169503 1031281199 /nfs/dbraw/zinc/28/11/99/1031281199.db2.gz HNVQDVAQLGNOBX-OKILXGFUSA-N 1 2 360.433 2.857 20 30 FFEDLO CCOc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(O)c1 ZINC000798275538 1031354653 /nfs/dbraw/zinc/35/46/53/1031354653.db2.gz RUKPTLSALJQZDL-GOEBONIOSA-N 1 2 361.442 2.640 20 30 FFEDLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCO1 ZINC001205447966 1031753470 /nfs/dbraw/zinc/75/34/70/1031753470.db2.gz CBTSEAISOVZSSA-AWEZNQCLSA-N 1 2 360.458 2.578 20 30 FFEDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCO1 ZINC001205447966 1031753482 /nfs/dbraw/zinc/75/34/82/1031753482.db2.gz CBTSEAISOVZSSA-AWEZNQCLSA-N 1 2 360.458 2.578 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3CC)[C@H]2C1 ZINC001223338714 1033403527 /nfs/dbraw/zinc/40/35/27/1033403527.db2.gz XJCWVYGEIJSXKP-NXHRZFHOSA-N 1 2 359.518 2.632 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3CC)[C@H]2C1 ZINC001223338714 1033403530 /nfs/dbraw/zinc/40/35/30/1033403530.db2.gz XJCWVYGEIJSXKP-NXHRZFHOSA-N 1 2 359.518 2.632 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001223343938 1033403942 /nfs/dbraw/zinc/40/39/42/1033403942.db2.gz DHURJTCXEVDNMT-INMHGKMJSA-N 1 2 358.486 2.972 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001223343938 1033403950 /nfs/dbraw/zinc/40/39/50/1033403950.db2.gz DHURJTCXEVDNMT-INMHGKMJSA-N 1 2 358.486 2.972 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nccc(C)n4)[C@H]3C2)CCC1 ZINC001223459670 1033453025 /nfs/dbraw/zinc/45/30/25/1033453025.db2.gz NWCVLZOCKSJWSK-MSOLQXFVSA-N 1 2 354.498 2.954 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nccc(C)n4)[C@H]3C2)CCC1 ZINC001223459670 1033453032 /nfs/dbraw/zinc/45/30/32/1033453032.db2.gz NWCVLZOCKSJWSK-MSOLQXFVSA-N 1 2 354.498 2.954 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cn(CC4CC4)nn3)[C@H]2C1 ZINC001223586799 1033507096 /nfs/dbraw/zinc/50/70/96/1033507096.db2.gz ICEGIHLTTMWUDS-MJGOQNOKSA-N 1 2 371.529 2.713 20 30 FFEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(CC4CC4)nn3)[C@H]2C1 ZINC001223586799 1033507107 /nfs/dbraw/zinc/50/71/07/1033507107.db2.gz ICEGIHLTTMWUDS-MJGOQNOKSA-N 1 2 371.529 2.713 20 30 FFEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nonc4C)[C@H]3C2)CCCCC1 ZINC001224263487 1033810308 /nfs/dbraw/zinc/81/03/08/1033810308.db2.gz CLBJKMQSLJBTNQ-MJGOQNOKSA-N 1 2 370.497 2.775 20 30 FFEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nonc4C)[C@H]3C2)CCCCC1 ZINC001224263487 1033810316 /nfs/dbraw/zinc/81/03/16/1033810316.db2.gz CLBJKMQSLJBTNQ-MJGOQNOKSA-N 1 2 370.497 2.775 20 30 FFEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4ncccn4)[C@H]3C2)CCCCC1 ZINC001224271609 1033817464 /nfs/dbraw/zinc/81/74/64/1033817464.db2.gz RRZLLQRIYMCORB-MOPGFXCFSA-N 1 2 366.509 2.873 20 30 FFEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ncccn4)[C@H]3C2)CCCCC1 ZINC001224271609 1033817484 /nfs/dbraw/zinc/81/74/84/1033817484.db2.gz RRZLLQRIYMCORB-MOPGFXCFSA-N 1 2 366.509 2.873 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(C4CC4)o3)[C@H]2C1 ZINC001224280587 1033824821 /nfs/dbraw/zinc/82/48/21/1033824821.db2.gz JGYKQTSZNBYBJR-INMHGKMJSA-N 1 2 359.470 2.566 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)[C@H]2C1 ZINC001224280587 1033824834 /nfs/dbraw/zinc/82/48/34/1033824834.db2.gz JGYKQTSZNBYBJR-INMHGKMJSA-N 1 2 359.470 2.566 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(Cl)nccc1N(C)C ZINC001276808494 1033850637 /nfs/dbraw/zinc/85/06/37/1033850637.db2.gz WBPCMSTZXQTNQC-IBGZPJMESA-N 1 2 362.905 2.944 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(Cl)nccc1N(C)C ZINC001276808494 1033850645 /nfs/dbraw/zinc/85/06/45/1033850645.db2.gz WBPCMSTZXQTNQC-IBGZPJMESA-N 1 2 362.905 2.944 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)C[C@@H]1O ZINC001220146254 1034002840 /nfs/dbraw/zinc/00/28/40/1034002840.db2.gz AKURODMXUQDLBC-MOPGFXCFSA-N 1 2 362.901 2.893 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)C[C@@H]1O ZINC001220146254 1034002844 /nfs/dbraw/zinc/00/28/44/1034002844.db2.gz AKURODMXUQDLBC-MOPGFXCFSA-N 1 2 362.901 2.893 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1c(C)n(C)c2ccccc21 ZINC001138254297 1034024140 /nfs/dbraw/zinc/02/41/40/1034024140.db2.gz VUPAQALFTIMXAC-FQEVSTJZSA-N 1 2 365.481 2.917 20 30 FFEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1c(C)n(C)c2ccccc21 ZINC001138254297 1034024157 /nfs/dbraw/zinc/02/41/57/1034024157.db2.gz VUPAQALFTIMXAC-FQEVSTJZSA-N 1 2 365.481 2.917 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2Cc3c(cnn3C)[C@@H](COCC)C2)cc1OC ZINC001138344993 1034177359 /nfs/dbraw/zinc/17/73/59/1034177359.db2.gz DFMKQLAHNKBXCR-QGZVFWFLSA-N 1 2 369.465 2.577 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2Cc3c(cnn3C)[C@@H](COCC)C2)cc1OC ZINC001138344993 1034177361 /nfs/dbraw/zinc/17/73/61/1034177361.db2.gz DFMKQLAHNKBXCR-QGZVFWFLSA-N 1 2 369.465 2.577 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@]23CCN(Cc2cnoc2)C3=O)c(Cl)c1 ZINC001277030960 1034193999 /nfs/dbraw/zinc/19/39/99/1034193999.db2.gz OTWOXIWLEBMQAK-LJQANCHMSA-N 1 2 370.840 2.967 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@]23CCN(Cc2cnoc2)C3=O)c(Cl)c1 ZINC001277030960 1034194009 /nfs/dbraw/zinc/19/40/09/1034194009.db2.gz OTWOXIWLEBMQAK-LJQANCHMSA-N 1 2 370.840 2.967 20 30 FFEDLO CC(=O)[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C#N)cc1Cl)CC2 ZINC001277030946 1034194412 /nfs/dbraw/zinc/19/44/12/1034194412.db2.gz OGKBFJVJUAZCRZ-DYVFJYSZSA-N 1 2 373.884 2.907 20 30 FFEDLO N#Cc1ccc(CCNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC001220505007 1034227535 /nfs/dbraw/zinc/22/75/35/1034227535.db2.gz CBLLWCGFYNFMRF-UHFFFAOYSA-N 1 2 359.433 2.845 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)c3ccccc3)C2)cc1 ZINC001138557345 1034408605 /nfs/dbraw/zinc/40/86/05/1034408605.db2.gz HUFOPASVUSEENT-HXUWFJFHSA-N 1 2 355.459 2.747 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)c3ccccc3)C2)cc1 ZINC001138557345 1034408612 /nfs/dbraw/zinc/40/86/12/1034408612.db2.gz HUFOPASVUSEENT-HXUWFJFHSA-N 1 2 355.459 2.747 20 30 FFEDLO C=CCc1cccc(C[N@@H+]2CCc3c(nnn3CC3CC3)[C@H]2COC)c1O ZINC001138627087 1034478992 /nfs/dbraw/zinc/47/89/92/1034478992.db2.gz WQHUBNKXFHDFNL-LJQANCHMSA-N 1 2 368.481 2.868 20 30 FFEDLO C=CCc1cccc(C[N@H+]2CCc3c(nnn3CC3CC3)[C@H]2COC)c1O ZINC001138627087 1034479000 /nfs/dbraw/zinc/47/90/00/1034479000.db2.gz WQHUBNKXFHDFNL-LJQANCHMSA-N 1 2 368.481 2.868 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1O)c1ccccc1 ZINC001221048024 1034524911 /nfs/dbraw/zinc/52/49/11/1034524911.db2.gz BYXVDDSPMOENGZ-ZCNNSNEGSA-N 1 2 370.880 2.971 20 30 FFEDLO C=C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1O)c1ccccc1 ZINC001221048024 1034524922 /nfs/dbraw/zinc/52/49/22/1034524922.db2.gz BYXVDDSPMOENGZ-ZCNNSNEGSA-N 1 2 370.880 2.971 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c(Cl)nccc3NC(=O)C(C)(C)C)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226122560 1034536580 /nfs/dbraw/zinc/53/65/80/1034536580.db2.gz QBJKRWHTYVBLIQ-HJTUNCCVSA-N 1 2 365.861 2.711 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(Cl)nccc3NC(=O)C(C)(C)C)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226122560 1034536585 /nfs/dbraw/zinc/53/65/85/1034536585.db2.gz QBJKRWHTYVBLIQ-HJTUNCCVSA-N 1 2 365.861 2.711 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cnc2cccc(Cl)n12 ZINC001277111361 1034591800 /nfs/dbraw/zinc/59/18/00/1034591800.db2.gz PSVDGEHBDHDOBL-LJQANCHMSA-N 1 2 356.857 2.578 20 30 FFEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cnc2cccc(Cl)n12 ZINC001277111361 1034591807 /nfs/dbraw/zinc/59/18/07/1034591807.db2.gz PSVDGEHBDHDOBL-LJQANCHMSA-N 1 2 356.857 2.578 20 30 FFEDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 ZINC001221291567 1034652324 /nfs/dbraw/zinc/65/23/24/1034652324.db2.gz LYBVONIKZWKAIO-DXCKQFNASA-N 1 2 365.449 2.815 20 30 FFEDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 ZINC001221291567 1034652335 /nfs/dbraw/zinc/65/23/35/1034652335.db2.gz LYBVONIKZWKAIO-DXCKQFNASA-N 1 2 365.449 2.815 20 30 FFEDLO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C(F)C(F)(F)F)cc1 ZINC001226365829 1034653307 /nfs/dbraw/zinc/65/33/07/1034653307.db2.gz NBKCTADNNUACAL-RBSFLKMASA-N 1 2 357.351 2.976 20 30 FFEDLO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](F)C(F)(F)F)cc1 ZINC001226365829 1034653316 /nfs/dbraw/zinc/65/33/16/1034653316.db2.gz NBKCTADNNUACAL-RBSFLKMASA-N 1 2 357.351 2.976 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc(F)c3)C[C@H]21 ZINC001221424837 1034741575 /nfs/dbraw/zinc/74/15/75/1034741575.db2.gz PWVAWWIJDNWVML-HDMKZQKVSA-N 1 2 359.445 2.652 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc(F)c3)C[C@H]21 ZINC001221424837 1034741593 /nfs/dbraw/zinc/74/15/93/1034741593.db2.gz PWVAWWIJDNWVML-HDMKZQKVSA-N 1 2 359.445 2.652 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC001221442910 1034765100 /nfs/dbraw/zinc/76/51/00/1034765100.db2.gz BENJJDNICLNWSV-RHSMWYFYSA-N 1 2 352.837 2.714 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC001221442910 1034765107 /nfs/dbraw/zinc/76/51/07/1034765107.db2.gz BENJJDNICLNWSV-RHSMWYFYSA-N 1 2 352.837 2.714 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)ccc3F)C[C@H]21 ZINC001221471015 1034795202 /nfs/dbraw/zinc/79/52/02/1034795202.db2.gz IVTLLPHMLQTBIJ-DNVCBOLYSA-N 1 2 364.436 2.980 20 30 FFEDLO C=CCOCCCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)ccc3F)C[C@H]21 ZINC001221471015 1034795211 /nfs/dbraw/zinc/79/52/11/1034795211.db2.gz IVTLLPHMLQTBIJ-DNVCBOLYSA-N 1 2 364.436 2.980 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC001221574815 1034887493 /nfs/dbraw/zinc/88/74/93/1034887493.db2.gz KYSQXZBWCKVKFW-SJLPKXTDSA-N 1 2 361.530 2.570 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC001221574815 1034887499 /nfs/dbraw/zinc/88/74/99/1034887499.db2.gz KYSQXZBWCKVKFW-SJLPKXTDSA-N 1 2 361.530 2.570 20 30 FFEDLO CC(C)Oc1ncccc1C[N@@H+]1CCC[C@]12CCN(CCCC#N)C2=O ZINC001277169082 1034894099 /nfs/dbraw/zinc/89/40/99/1034894099.db2.gz WHZZRHPKDJSUOS-HXUWFJFHSA-N 1 2 356.470 2.739 20 30 FFEDLO CC(C)Oc1ncccc1C[N@H+]1CCC[C@]12CCN(CCCC#N)C2=O ZINC001277169082 1034894106 /nfs/dbraw/zinc/89/41/06/1034894106.db2.gz WHZZRHPKDJSUOS-HXUWFJFHSA-N 1 2 356.470 2.739 20 30 FFEDLO C=CCOc1ccccc1C[N@H+]1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001139032329 1034897701 /nfs/dbraw/zinc/89/77/01/1034897701.db2.gz KDQBQDCFRMCKOX-SFHVURJKSA-N 1 2 363.465 2.977 20 30 FFEDLO C=CCOc1ccccc1C[N@@H+]1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001139032329 1034897713 /nfs/dbraw/zinc/89/77/13/1034897713.db2.gz KDQBQDCFRMCKOX-SFHVURJKSA-N 1 2 363.465 2.977 20 30 FFEDLO O=C(NO)c1ccccc1O[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001227015239 1034911477 /nfs/dbraw/zinc/91/14/77/1034911477.db2.gz OUNQFVDCIDKSGI-LLVKDONJSA-N 1 2 367.858 2.959 20 30 FFEDLO O=C(NO)c1ccccc1O[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001227015239 1034911482 /nfs/dbraw/zinc/91/14/82/1034911482.db2.gz OUNQFVDCIDKSGI-LLVKDONJSA-N 1 2 367.858 2.959 20 30 FFEDLO COC(=O)CC[C@@H]1COCC[N@@H+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139404615 1035091708 /nfs/dbraw/zinc/09/17/08/1035091708.db2.gz QUIQTPUGPOEUKO-LJQANCHMSA-N 1 2 365.433 2.774 20 30 FFEDLO COC(=O)CC[C@@H]1COCC[N@H+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139404615 1035091715 /nfs/dbraw/zinc/09/17/15/1035091715.db2.gz QUIQTPUGPOEUKO-LJQANCHMSA-N 1 2 365.433 2.774 20 30 FFEDLO C[N@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)C1CCS(=O)(=O)CC1 ZINC001139427854 1035102734 /nfs/dbraw/zinc/10/27/34/1035102734.db2.gz UNLMNYYVVOOCQO-UHFFFAOYSA-N 1 2 371.462 2.755 20 30 FFEDLO C[N@@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)C1CCS(=O)(=O)CC1 ZINC001139427854 1035102737 /nfs/dbraw/zinc/10/27/37/1035102737.db2.gz UNLMNYYVVOOCQO-UHFFFAOYSA-N 1 2 371.462 2.755 20 30 FFEDLO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC001139727059 1035209711 /nfs/dbraw/zinc/20/97/11/1035209711.db2.gz HCTZRKRPNJTJHV-MAUKXSAKSA-N 1 2 352.438 2.819 20 30 FFEDLO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC001139727059 1035209713 /nfs/dbraw/zinc/20/97/13/1035209713.db2.gz HCTZRKRPNJTJHV-MAUKXSAKSA-N 1 2 352.438 2.819 20 30 FFEDLO C=CCn1cc(C[N@@H+]2Cc3ncn(CC4CC4)c3[C@H](COCC)C2)cn1 ZINC001139767939 1035225755 /nfs/dbraw/zinc/22/57/55/1035225755.db2.gz FHSRIBYPQLIPGZ-SFHVURJKSA-N 1 2 355.486 2.812 20 30 FFEDLO C=CCn1cc(C[N@H+]2Cc3ncn(CC4CC4)c3[C@H](COCC)C2)cn1 ZINC001139767939 1035225758 /nfs/dbraw/zinc/22/57/58/1035225758.db2.gz FHSRIBYPQLIPGZ-SFHVURJKSA-N 1 2 355.486 2.812 20 30 FFEDLO N#Cc1cc(F)cc(C[N@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)c1 ZINC001139877328 1035264600 /nfs/dbraw/zinc/26/46/00/1035264600.db2.gz GJPZDPFDESDBSJ-GOSISDBHSA-N 1 2 354.429 2.952 20 30 FFEDLO N#Cc1cc(F)cc(C[N@@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)c1 ZINC001139877328 1035264603 /nfs/dbraw/zinc/26/46/03/1035264603.db2.gz GJPZDPFDESDBSJ-GOSISDBHSA-N 1 2 354.429 2.952 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2N)C1 ZINC001140227169 1035389675 /nfs/dbraw/zinc/38/96/75/1035389675.db2.gz OFVOATJINKIIBZ-AWEZNQCLSA-N 1 2 368.275 2.908 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Br)cc2N)C1 ZINC001140227169 1035389676 /nfs/dbraw/zinc/38/96/76/1035389676.db2.gz OFVOATJINKIIBZ-AWEZNQCLSA-N 1 2 368.275 2.908 20 30 FFEDLO C[NH+]1CCN(c2ccc(C=[NH+]Nc3ccc(C(=O)[O-])c(F)c3)cc2)CC1 ZINC000835010322 1035486930 /nfs/dbraw/zinc/48/69/30/1035486930.db2.gz XHXAZRMVXRWSPE-UHFFFAOYSA-N 1 2 356.401 2.722 20 30 FFEDLO COc1cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)ccc1-n1cnc(C)c1 ZINC001232561602 1035815052 /nfs/dbraw/zinc/81/50/52/1035815052.db2.gz CYRGMAQJCABRRI-GOSISDBHSA-N 1 2 355.463 2.963 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)c1 ZINC001232676216 1035931330 /nfs/dbraw/zinc/93/13/30/1035931330.db2.gz GXCXWUJHCGDHKT-WIYYLYMNSA-N 1 2 365.433 2.861 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)c1 ZINC001232676216 1035931345 /nfs/dbraw/zinc/93/13/45/1035931345.db2.gz GXCXWUJHCGDHKT-WIYYLYMNSA-N 1 2 365.433 2.861 20 30 FFEDLO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001232674745 1035933160 /nfs/dbraw/zinc/93/31/60/1035933160.db2.gz CZTGDPWSCCPPKK-OAHLLOKOSA-N 1 2 357.454 2.953 20 30 FFEDLO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001232674745 1035933171 /nfs/dbraw/zinc/93/31/71/1035933171.db2.gz CZTGDPWSCCPPKK-OAHLLOKOSA-N 1 2 357.454 2.953 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)c1 ZINC001232677175 1035934923 /nfs/dbraw/zinc/93/49/23/1035934923.db2.gz JCXGNKMZDVSHRX-PZJWPPBQSA-N 1 2 365.433 2.861 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)c1 ZINC001232677175 1035934938 /nfs/dbraw/zinc/93/49/38/1035934938.db2.gz JCXGNKMZDVSHRX-PZJWPPBQSA-N 1 2 365.433 2.861 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H](NC(=O)C2CCC2)[C@H]2OCCC[C@H]2C1 ZINC001232890158 1036132401 /nfs/dbraw/zinc/13/24/01/1036132401.db2.gz YHAKBWYHFJNTRK-DBVUQKKJSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H](NC(=O)C2CCC2)[C@H]2OCCC[C@H]2C1 ZINC001232890158 1036132406 /nfs/dbraw/zinc/13/24/06/1036132406.db2.gz YHAKBWYHFJNTRK-DBVUQKKJSA-N 1 2 371.456 2.593 20 30 FFEDLO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(Br)c(C#N)c3)C[C@H]21 ZINC001232895665 1036137778 /nfs/dbraw/zinc/13/77/78/1036137778.db2.gz VAFVUQDNRYEXET-FOLVSLTJSA-N 1 2 362.271 2.523 20 30 FFEDLO CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(Br)c(C#N)c3)C[C@H]21 ZINC001232895665 1036137787 /nfs/dbraw/zinc/13/77/87/1036137787.db2.gz VAFVUQDNRYEXET-FOLVSLTJSA-N 1 2 362.271 2.523 20 30 FFEDLO N#Cc1cccc(CN2CCc3[nH+]cc(Cn4cccn4)n3CC2)c1Cl ZINC001140813998 1036216595 /nfs/dbraw/zinc/21/65/95/1036216595.db2.gz YRYJYPVXBHRTJP-UHFFFAOYSA-N 1 2 366.856 2.711 20 30 FFEDLO C#CC[NH+]1CCN(Cc2ccc(OC(F)F)c(OCC3CC3)c2)CC1 ZINC001140904795 1036424187 /nfs/dbraw/zinc/42/41/87/1036424187.db2.gz ISPNTPJNBLOSCT-UHFFFAOYSA-N 1 2 350.409 2.828 20 30 FFEDLO C#CCN1CC[NH+](Cc2ccc(OC(F)F)c(OCC3CC3)c2)CC1 ZINC001140904795 1036424195 /nfs/dbraw/zinc/42/41/95/1036424195.db2.gz ISPNTPJNBLOSCT-UHFFFAOYSA-N 1 2 350.409 2.828 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ccc(C(=[NH2+])NO)c(F)c2)C1 ZINC001229084412 1036492619 /nfs/dbraw/zinc/49/26/19/1036492619.db2.gz URNOSNKYCFHTLS-INIZCTEOSA-N 1 2 354.385 2.655 20 30 FFEDLO N#Cc1ccccc1CN1CC[C@H](Oc2ccc(C(=[NH2+])NO)c(F)c2)C1 ZINC001229084412 1036492629 /nfs/dbraw/zinc/49/26/29/1036492629.db2.gz URNOSNKYCFHTLS-INIZCTEOSA-N 1 2 354.385 2.655 20 30 FFEDLO C=CCN1CC2(C[NH+](C[C@@H](O)CCCCCCCCCC)C2)OCC1=O ZINC001277812808 1036791286 /nfs/dbraw/zinc/79/12/86/1036791286.db2.gz GNYNMEKOGQZXGD-IBGZPJMESA-N 1 2 366.546 2.977 20 30 FFEDLO CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Cl)cc1C#N ZINC001277818258 1036828580 /nfs/dbraw/zinc/82/85/80/1036828580.db2.gz OYHWMDNVUXXIME-QZTJIDSGSA-N 1 2 361.873 2.813 20 30 FFEDLO CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Cl)cc1C#N ZINC001277818258 1036828589 /nfs/dbraw/zinc/82/85/89/1036828589.db2.gz OYHWMDNVUXXIME-QZTJIDSGSA-N 1 2 361.873 2.813 20 30 FFEDLO Cc1ccccc1-c1noc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)n1 ZINC001206947413 1036966106 /nfs/dbraw/zinc/96/61/06/1036966106.db2.gz TWHQCOJXOAUGQY-SJLPKXTDSA-N 1 2 366.465 2.641 20 30 FFEDLO Cc1ccccc1-c1noc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)n1 ZINC001206947413 1036966122 /nfs/dbraw/zinc/96/61/22/1036966122.db2.gz TWHQCOJXOAUGQY-SJLPKXTDSA-N 1 2 366.465 2.641 20 30 FFEDLO COc1c(F)cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C2)cc1F ZINC001206951819 1036972627 /nfs/dbraw/zinc/97/26/27/1036972627.db2.gz KPJQOEFEWQOFQZ-CXAGYDPISA-N 1 2 364.436 2.959 20 30 FFEDLO COc1c(F)cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C2)cc1F ZINC001206951819 1036972640 /nfs/dbraw/zinc/97/26/40/1036972640.db2.gz KPJQOEFEWQOFQZ-CXAGYDPISA-N 1 2 364.436 2.959 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3F)o2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206953115 1036977821 /nfs/dbraw/zinc/97/78/21/1036977821.db2.gz RRUYVOFCOUTGJE-RDTXWAMCSA-N 1 2 367.424 2.831 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3F)o2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206953115 1036977839 /nfs/dbraw/zinc/97/78/39/1036977839.db2.gz RRUYVOFCOUTGJE-RDTXWAMCSA-N 1 2 367.424 2.831 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Br)[nH]1 ZINC001277850709 1037008800 /nfs/dbraw/zinc/00/88/00/1037008800.db2.gz YSDNDHRQMSGGPC-MRXNPFEDSA-N 1 2 352.276 2.920 20 30 FFEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Br)[nH]1 ZINC001277850709 1037008817 /nfs/dbraw/zinc/00/88/17/1037008817.db2.gz YSDNDHRQMSGGPC-MRXNPFEDSA-N 1 2 352.276 2.920 20 30 FFEDLO C=CCN(CC[NH+]1CCC(C#N)(C(=O)OCC)CC1)C(=O)OC(C)(C)C ZINC001207203984 1037243117 /nfs/dbraw/zinc/24/31/17/1037243117.db2.gz XTDOUEUREHXNMF-UHFFFAOYSA-N 1 2 365.474 2.578 20 30 FFEDLO C=CC1CCN(C(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)CC1 ZINC001235026847 1037311407 /nfs/dbraw/zinc/31/14/07/1037311407.db2.gz GLLPNWJLGABDKV-FQEVSTJZSA-N 1 2 357.498 2.803 20 30 FFEDLO C=CC1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)CC1 ZINC001235026847 1037311420 /nfs/dbraw/zinc/31/14/20/1037311420.db2.gz GLLPNWJLGABDKV-FQEVSTJZSA-N 1 2 357.498 2.803 20 30 FFEDLO C=C(C)CN1CCC2(CCN(c3nc(N(C)CC)c(C)c[nH+]3)CC2)C1=O ZINC001277921213 1037348777 /nfs/dbraw/zinc/34/87/77/1037348777.db2.gz HZBMATAJZQMMOF-UHFFFAOYSA-N 1 2 357.502 2.636 20 30 FFEDLO COCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Cl)cc(C#N)c2)C1=O ZINC001277488184 1037475231 /nfs/dbraw/zinc/47/52/31/1037475231.db2.gz ZMCOQLLDBKFVAT-IBGZPJMESA-N 1 2 361.873 2.815 20 30 FFEDLO COCCCN1CC[C@@]2(CCC[N@H+]2Cc2cc(Cl)cc(C#N)c2)C1=O ZINC001277488184 1037475241 /nfs/dbraw/zinc/47/52/41/1037475241.db2.gz ZMCOQLLDBKFVAT-IBGZPJMESA-N 1 2 361.873 2.815 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001208309068 1038201768 /nfs/dbraw/zinc/20/17/68/1038201768.db2.gz BNFJGLPFCMDQNT-SOLBZPMBSA-N 1 2 367.497 2.977 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001208309068 1038201777 /nfs/dbraw/zinc/20/17/77/1038201777.db2.gz BNFJGLPFCMDQNT-SOLBZPMBSA-N 1 2 367.497 2.977 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C/C=C(/C)C=C)C2)c1 ZINC001208353517 1038240776 /nfs/dbraw/zinc/24/07/76/1038240776.db2.gz HDUYLPYCOMMYJI-VPBOYTBYSA-N 1 2 365.477 2.565 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C/C=C(/C)C=C)C2)c1 ZINC001208353517 1038240792 /nfs/dbraw/zinc/24/07/92/1038240792.db2.gz HDUYLPYCOMMYJI-VPBOYTBYSA-N 1 2 365.477 2.565 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccoc3)no2)C[C@H]1C ZINC001208393332 1038281811 /nfs/dbraw/zinc/28/18/11/1038281811.db2.gz OUWXYJGWMOGZKE-IJEWVQPXSA-N 1 2 358.442 2.868 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccoc3)no2)C[C@H]1C ZINC001208393332 1038281823 /nfs/dbraw/zinc/28/18/23/1038281823.db2.gz OUWXYJGWMOGZKE-IJEWVQPXSA-N 1 2 358.442 2.868 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2csc(-c3ncccn3)n2)C[C@H]1C ZINC001208461566 1038331138 /nfs/dbraw/zinc/33/11/38/1038331138.db2.gz SGFXBEMCCGCNGE-GDBMZVCRSA-N 1 2 371.510 2.893 20 30 FFEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2csc(-c3ncccn3)n2)C[C@H]1C ZINC001208461566 1038331151 /nfs/dbraw/zinc/33/11/51/1038331151.db2.gz SGFXBEMCCGCNGE-GDBMZVCRSA-N 1 2 371.510 2.893 20 30 FFEDLO O=C1C=C2C[N@H+](Cc3ccc(N4CCOCC4)cc3Cl)CC[C@H]2S1 ZINC001236920949 1038356570 /nfs/dbraw/zinc/35/65/70/1038356570.db2.gz AXAOGAXIRUKTCY-QGZVFWFLSA-N 1 2 364.898 2.951 20 30 FFEDLO O=C1C=C2C[N@@H+](Cc3ccc(N4CCOCC4)cc3Cl)CC[C@H]2S1 ZINC001236920949 1038356576 /nfs/dbraw/zinc/35/65/76/1038356576.db2.gz AXAOGAXIRUKTCY-QGZVFWFLSA-N 1 2 364.898 2.951 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(Cc2cccc(O)c2Cl)C3)cc1C#N ZINC001278910841 1038383828 /nfs/dbraw/zinc/38/38/28/1038383828.db2.gz PWCCPTDZDSZFSV-QAPCUYQASA-N 1 2 370.884 2.962 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(Cc2cccc(O)c2Cl)C3)cc1C#N ZINC001278910841 1038383844 /nfs/dbraw/zinc/38/38/44/1038383844.db2.gz PWCCPTDZDSZFSV-QAPCUYQASA-N 1 2 370.884 2.962 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2cccc(O)c2Cl)C3)cc1C#N ZINC001278910841 1038383853 /nfs/dbraw/zinc/38/38/53/1038383853.db2.gz PWCCPTDZDSZFSV-QAPCUYQASA-N 1 2 370.884 2.962 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cccc(O)c2Cl)C3)cc1C#N ZINC001278910841 1038383868 /nfs/dbraw/zinc/38/38/68/1038383868.db2.gz PWCCPTDZDSZFSV-QAPCUYQASA-N 1 2 370.884 2.962 20 30 FFEDLO CCOC(=O)c1cc(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)[nH]n1 ZINC001237033527 1038413437 /nfs/dbraw/zinc/41/34/37/1038413437.db2.gz VOHUWPLERJQASS-QGZVFWFLSA-N 1 2 354.410 2.501 20 30 FFEDLO CCOC(=O)c1cc(C[N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)[nH]n1 ZINC001237033527 1038413444 /nfs/dbraw/zinc/41/34/44/1038413444.db2.gz VOHUWPLERJQASS-QGZVFWFLSA-N 1 2 354.410 2.501 20 30 FFEDLO COC1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)s2)CCC1 ZINC001278925473 1038463490 /nfs/dbraw/zinc/46/34/90/1038463490.db2.gz AVXVETUHFMQSQO-GASCZTMLSA-N 1 2 359.495 2.754 20 30 FFEDLO COC1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)s2)CCC1 ZINC001278925473 1038463493 /nfs/dbraw/zinc/46/34/93/1038463493.db2.gz AVXVETUHFMQSQO-GASCZTMLSA-N 1 2 359.495 2.754 20 30 FFEDLO CCn1ccnc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)ccc1C#N ZINC001278940200 1038532074 /nfs/dbraw/zinc/53/20/74/1038532074.db2.gz YIEATCLLPDUPRX-KDURUIRLSA-N 1 2 353.445 2.763 20 30 FFEDLO CCn1ccnc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)ccc1C#N ZINC001278940200 1038532082 /nfs/dbraw/zinc/53/20/82/1038532082.db2.gz YIEATCLLPDUPRX-KDURUIRLSA-N 1 2 353.445 2.763 20 30 FFEDLO C=CCN(CC[N@@H+]1CC[C@@](F)(CNC(=O)OC(C)(C)C)C1)C(=O)OCC ZINC001209024436 1038637943 /nfs/dbraw/zinc/63/79/43/1038637943.db2.gz RRELVTIZDJKYDO-GOSISDBHSA-N 1 2 373.469 2.570 20 30 FFEDLO C=CCN(CC[N@H+]1CC[C@@](F)(CNC(=O)OC(C)(C)C)C1)C(=O)OCC ZINC001209024436 1038637945 /nfs/dbraw/zinc/63/79/45/1038637945.db2.gz RRELVTIZDJKYDO-GOSISDBHSA-N 1 2 373.469 2.570 20 30 FFEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001257113848 1038715211 /nfs/dbraw/zinc/71/52/11/1038715211.db2.gz WUIDCMMUZKMLPN-IHRRRGAJSA-N 1 2 360.520 2.616 20 30 FFEDLO C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4cc(F)ccc4C#N)nc3c2)CC1 ZINC001251229412 1039020001 /nfs/dbraw/zinc/02/00/01/1039020001.db2.gz MTADKQBJHLOWCT-UHFFFAOYSA-N 1 2 363.396 2.628 20 30 FFEDLO CCCOc1ccc(Br)c(CN2CC[NH2+]C[C@H]2C#N)c1F ZINC001210120477 1039394099 /nfs/dbraw/zinc/39/40/99/1039394099.db2.gz DORNNKABGMYUAH-LLVKDONJSA-N 1 2 356.239 2.674 20 30 FFEDLO CC1(C)CC(=O)C=C(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)C1 ZINC001210156556 1039411027 /nfs/dbraw/zinc/41/10/27/1039411027.db2.gz XNVOXBXYQZISTE-UHFFFAOYSA-N 1 2 355.482 2.892 20 30 FFEDLO C=CCOC(=O)N1CC[NH+](C[C@H](O)COc2cccc3ccccc32)CC1 ZINC001252386988 1039523820 /nfs/dbraw/zinc/52/38/20/1039523820.db2.gz VIYYYJGFVFXZCX-SFHVURJKSA-N 1 2 370.449 2.520 20 30 FFEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H](C)Cc1ccccc1OC ZINC001258886386 1039560777 /nfs/dbraw/zinc/56/07/77/1039560777.db2.gz KERCYBFMCZESDL-DNVCBOLYSA-N 1 2 352.434 2.872 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)cn2)C[C@H]1C)c1ccccc1 ZINC001211235403 1040020978 /nfs/dbraw/zinc/02/09/78/1040020978.db2.gz NVAFKSTZBWQDLK-BHIYHBOVSA-N 1 2 350.466 2.691 20 30 FFEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ncc(C)cn2)C[C@H]1C)c1ccccc1 ZINC001211235403 1040020988 /nfs/dbraw/zinc/02/09/88/1040020988.db2.gz NVAFKSTZBWQDLK-BHIYHBOVSA-N 1 2 350.466 2.691 20 30 FFEDLO C#CC[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C)c1ccccc1 ZINC001211473491 1040238558 /nfs/dbraw/zinc/23/85/58/1040238558.db2.gz PIVCJCFFKRDNKH-YFVAEKQCSA-N 1 2 364.493 2.554 20 30 FFEDLO C#CC[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C)c1ccccc1 ZINC001211473491 1040238572 /nfs/dbraw/zinc/23/85/72/1040238572.db2.gz PIVCJCFFKRDNKH-YFVAEKQCSA-N 1 2 364.493 2.554 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1OC ZINC001213258098 1040383783 /nfs/dbraw/zinc/38/37/83/1040383783.db2.gz DWYGGTLUXDMYQJ-IAGOWNOFSA-N 1 2 352.425 2.883 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1OC ZINC001213258098 1040383799 /nfs/dbraw/zinc/38/37/99/1040383799.db2.gz DWYGGTLUXDMYQJ-IAGOWNOFSA-N 1 2 352.425 2.883 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1OC ZINC001213269374 1040393654 /nfs/dbraw/zinc/39/36/54/1040393654.db2.gz NCWFRPIPUSAEOL-RTBURBONSA-N 1 2 364.436 2.864 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1OC ZINC001213269374 1040393663 /nfs/dbraw/zinc/39/36/63/1040393663.db2.gz NCWFRPIPUSAEOL-RTBURBONSA-N 1 2 364.436 2.864 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2OC)C[C@H]1OC ZINC001213320432 1040445710 /nfs/dbraw/zinc/44/57/10/1040445710.db2.gz WJZCRXIOLZYTQI-POZUXBRTSA-N 1 2 364.461 2.752 20 30 FFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2OC)C[C@H]1OC ZINC001213320432 1040445716 /nfs/dbraw/zinc/44/57/16/1040445716.db2.gz WJZCRXIOLZYTQI-POZUXBRTSA-N 1 2 364.461 2.752 20 30 FFEDLO C=CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)sc1Cl ZINC001260473635 1040615952 /nfs/dbraw/zinc/61/59/52/1040615952.db2.gz FCGYXULVNQSCPH-VIFPVBQESA-N 1 2 355.312 2.984 20 30 FFEDLO C=CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)sc1Cl ZINC001260473635 1040615956 /nfs/dbraw/zinc/61/59/56/1040615956.db2.gz FCGYXULVNQSCPH-VIFPVBQESA-N 1 2 355.312 2.984 20 30 FFEDLO COc1ccsc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)n(C)c1 ZINC001278782004 1040703609 /nfs/dbraw/zinc/70/36/09/1040703609.db2.gz ITKGGWDQCLKMKU-IYBDPMFKSA-N 1 2 356.495 2.816 20 30 FFEDLO COc1ccsc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)n(C)c1 ZINC001278782004 1040703624 /nfs/dbraw/zinc/70/36/24/1040703624.db2.gz ITKGGWDQCLKMKU-IYBDPMFKSA-N 1 2 356.495 2.816 20 30 FFEDLO CC[C@@H](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213611519 1040717737 /nfs/dbraw/zinc/71/77/37/1040717737.db2.gz BWMGTZSMFBCUEE-NIKGAXFTSA-N 1 2 361.461 2.839 20 30 FFEDLO CC[C@@H](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001213611519 1040717751 /nfs/dbraw/zinc/71/77/51/1040717751.db2.gz BWMGTZSMFBCUEE-NIKGAXFTSA-N 1 2 361.461 2.839 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1OC)c1ccccc1 ZINC001213895810 1041040653 /nfs/dbraw/zinc/04/06/53/1041040653.db2.gz NGYXSAAKTOBZJC-XUVXKRRUSA-N 1 2 369.465 2.658 20 30 FFEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H]1OC)c1ccccc1 ZINC001213895810 1041040670 /nfs/dbraw/zinc/04/06/70/1041040670.db2.gz NGYXSAAKTOBZJC-XUVXKRRUSA-N 1 2 369.465 2.658 20 30 FFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2CC#N)[C@H]1c1ccc(F)cc1 ZINC001261854781 1041449392 /nfs/dbraw/zinc/44/93/92/1041449392.db2.gz VXUBMBHAKWLLCL-IEBWSBKVSA-N 1 2 373.453 2.615 20 30 FFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2CC#N)[C@H]1c1ccc(F)cc1 ZINC001261854781 1041449393 /nfs/dbraw/zinc/44/93/93/1041449393.db2.gz VXUBMBHAKWLLCL-IEBWSBKVSA-N 1 2 373.453 2.615 20 30 FFEDLO CCCCCCCCOCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001214863833 1041600030 /nfs/dbraw/zinc/60/00/30/1041600030.db2.gz YDBLNOYSHAQJHE-NVXWUHKLSA-N 1 2 366.506 2.692 20 30 FFEDLO C#CCN1C[C@]2(CC[N@@H+](Cc3ccc(C)c(Cl)c3Cl)C2)OCC1=O ZINC001276715264 1041607220 /nfs/dbraw/zinc/60/72/20/1041607220.db2.gz BFWWLKGGFQGQDJ-GOSISDBHSA-N 1 2 367.276 2.738 20 30 FFEDLO C#CCN1C[C@]2(CC[N@H+](Cc3ccc(C)c(Cl)c3Cl)C2)OCC1=O ZINC001276715264 1041607221 /nfs/dbraw/zinc/60/72/21/1041607221.db2.gz BFWWLKGGFQGQDJ-GOSISDBHSA-N 1 2 367.276 2.738 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@H](C)[C@H](C)[C@@H]1C ZINC001262939644 1041975996 /nfs/dbraw/zinc/97/59/96/1041975996.db2.gz LLEUWTNONVVFRJ-TXTZMMAHSA-N 1 2 359.518 2.871 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@H](C)[C@H](C)[C@@H]1C ZINC001262939644 1041975997 /nfs/dbraw/zinc/97/59/97/1041975997.db2.gz LLEUWTNONVVFRJ-TXTZMMAHSA-N 1 2 359.518 2.871 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)Cc1ccc(Cl)s1 ZINC001262947131 1041981651 /nfs/dbraw/zinc/98/16/51/1041981651.db2.gz GCVNMVJBVCZYST-YPMHNXCESA-N 1 2 367.906 2.553 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)Cc1ccc(Cl)s1 ZINC001262947131 1041981655 /nfs/dbraw/zinc/98/16/55/1041981655.db2.gz GCVNMVJBVCZYST-YPMHNXCESA-N 1 2 367.906 2.553 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@](C)(OC)C1 ZINC001262977758 1042004136 /nfs/dbraw/zinc/00/41/36/1042004136.db2.gz NRNAUJYZOGDKDU-HXUWFJFHSA-N 1 2 372.517 2.562 20 30 FFEDLO N#Cc1cccc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)c1F ZINC001216417325 1042021018 /nfs/dbraw/zinc/02/10/18/1042021018.db2.gz XACQPDBOSMFFGC-UHFFFAOYSA-N 1 2 352.413 2.962 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](CC)CC[C@@H]2C)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001263285272 1042220202 /nfs/dbraw/zinc/22/02/02/1042220202.db2.gz BYRCFCHROXJEDB-PFRQMTDMSA-N 1 2 361.534 2.781 20 30 FFEDLO C=C(C)Cn1c(N2C[C@H](CC)CC[C@@H]2C)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001263285272 1042220207 /nfs/dbraw/zinc/22/02/07/1042220207.db2.gz BYRCFCHROXJEDB-PFRQMTDMSA-N 1 2 361.534 2.781 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@@H](c2nccs2)C1 ZINC001263288308 1042223035 /nfs/dbraw/zinc/22/30/35/1042223035.db2.gz NMQCRRAIXANATH-CQSZACIVSA-N 1 2 369.498 2.629 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@@H](C)CC#N ZINC001263394895 1042278669 /nfs/dbraw/zinc/27/86/69/1042278669.db2.gz IUROEVLQXCNZKK-BBWFWOEESA-N 1 2 360.506 2.598 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@@H](C)CC#N ZINC001263394895 1042278670 /nfs/dbraw/zinc/27/86/70/1042278670.db2.gz IUROEVLQXCNZKK-BBWFWOEESA-N 1 2 360.506 2.598 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H](C)C#N)CC[N@@H+]1Cc1ccn(-c2ccccc2F)n1 ZINC001264047379 1042596244 /nfs/dbraw/zinc/59/62/44/1042596244.db2.gz BCEMAGMQWKZSLS-FHLIZLRMSA-N 1 2 369.444 2.640 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)[C@H](C)C#N)CC[N@H+]1Cc1ccn(-c2ccccc2F)n1 ZINC001264047379 1042596248 /nfs/dbraw/zinc/59/62/48/1042596248.db2.gz BCEMAGMQWKZSLS-FHLIZLRMSA-N 1 2 369.444 2.640 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CCOc2ccccc2)[C@H]1C ZINC001264731733 1042813176 /nfs/dbraw/zinc/81/31/76/1042813176.db2.gz TUCRPQOJEXCDQB-ZBFHGGJFSA-N 1 2 367.287 2.943 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CCOc2ccccc2)[C@H]1C ZINC001264731733 1042813182 /nfs/dbraw/zinc/81/31/82/1042813182.db2.gz TUCRPQOJEXCDQB-ZBFHGGJFSA-N 1 2 367.287 2.943 20 30 FFEDLO Cn1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(O)cc2F)cc1C#N ZINC001279227514 1042954142 /nfs/dbraw/zinc/95/41/42/1042954142.db2.gz NNKNUHQWNIOXPY-CALCHBBNSA-N 1 2 354.429 2.590 20 30 FFEDLO Cn1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(O)cc2F)cc1C#N ZINC001279227514 1042954145 /nfs/dbraw/zinc/95/41/45/1042954145.db2.gz NNKNUHQWNIOXPY-CALCHBBNSA-N 1 2 354.429 2.590 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)c4cccc(Cl)c4F)C3)C2)cc1C#N ZINC001279236572 1042959556 /nfs/dbraw/zinc/95/95/56/1042959556.db2.gz DFHXEVZVBQFTNZ-UHFFFAOYSA-N 1 2 372.831 2.647 20 30 FFEDLO C=CCOc1cccc(C[NH+]2CC3(CCN3Cc3nccn3CC)C2)c1 ZINC001279299021 1042989206 /nfs/dbraw/zinc/98/92/06/1042989206.db2.gz QCQLOZYVPRBDQT-UHFFFAOYSA-N 1 2 352.482 2.928 20 30 FFEDLO Cn1cc(C[N@@H+]2CCC23CN(Cc2cc(O)cc(Cl)c2)C3)cc1C#N ZINC001279317935 1042997636 /nfs/dbraw/zinc/99/76/36/1042997636.db2.gz JAFPPYIXHWRCOE-UHFFFAOYSA-N 1 2 356.857 2.716 20 30 FFEDLO Cn1cc(C[N@H+]2CCC23CN(Cc2cc(O)cc(Cl)c2)C3)cc1C#N ZINC001279317935 1042997637 /nfs/dbraw/zinc/99/76/37/1042997637.db2.gz JAFPPYIXHWRCOE-UHFFFAOYSA-N 1 2 356.857 2.716 20 30 FFEDLO COc1ccnc(O[C@H]2CCC[N@H+](Cc3cc(C#N)c(F)cc3F)C2)n1 ZINC001237535687 1043224018 /nfs/dbraw/zinc/22/40/18/1043224018.db2.gz CJQDAHNJRTZMNK-AWEZNQCLSA-N 1 2 360.364 2.678 20 30 FFEDLO COc1ccnc(O[C@H]2CCC[N@@H+](Cc3cc(C#N)c(F)cc3F)C2)n1 ZINC001237535687 1043224027 /nfs/dbraw/zinc/22/40/27/1043224027.db2.gz CJQDAHNJRTZMNK-AWEZNQCLSA-N 1 2 360.364 2.678 20 30 FFEDLO COc1ccnc(O[C@@H]2CCC[N@H+](Cc3cc(C#N)c(F)cc3F)C2)n1 ZINC001237535688 1043224782 /nfs/dbraw/zinc/22/47/82/1043224782.db2.gz CJQDAHNJRTZMNK-CQSZACIVSA-N 1 2 360.364 2.678 20 30 FFEDLO COc1ccnc(O[C@@H]2CCC[N@@H+](Cc3cc(C#N)c(F)cc3F)C2)n1 ZINC001237535688 1043224794 /nfs/dbraw/zinc/22/47/94/1043224794.db2.gz CJQDAHNJRTZMNK-CQSZACIVSA-N 1 2 360.364 2.678 20 30 FFEDLO N#Cc1ccc2nc(C[N@@H+]3CCCn4cnc(Cn5cccc5)c4C3)cn2c1 ZINC001237607895 1043267839 /nfs/dbraw/zinc/26/78/39/1043267839.db2.gz BIGAAFPVTFSHDD-UHFFFAOYSA-N 1 2 371.448 2.658 20 30 FFEDLO N#Cc1ccc2nc(C[N@H+]3CCCn4cnc(Cn5cccc5)c4C3)cn2c1 ZINC001237607895 1043267853 /nfs/dbraw/zinc/26/78/53/1043267853.db2.gz BIGAAFPVTFSHDD-UHFFFAOYSA-N 1 2 371.448 2.658 20 30 FFEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)c1 ZINC001237749519 1043340515 /nfs/dbraw/zinc/34/05/15/1043340515.db2.gz VGGOLJTUFRYOEH-RTBURBONSA-N 1 2 366.852 2.982 20 30 FFEDLO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)c1 ZINC001237749519 1043340526 /nfs/dbraw/zinc/34/05/26/1043340526.db2.gz VGGOLJTUFRYOEH-RTBURBONSA-N 1 2 366.852 2.982 20 30 FFEDLO N#CCC1CN(C(=O)[C@H]2CC23C[NH+](Cc2cccc(C(F)(F)F)c2)C3)C1 ZINC001279729205 1043543210 /nfs/dbraw/zinc/54/32/10/1043543210.db2.gz NDHMLYKEIOPNAU-MRXNPFEDSA-N 1 2 363.383 2.899 20 30 FFEDLO N#Cc1nccnc1N1CC[NH+](Cc2cccc(-c3cccs3)n2)CC1 ZINC001238213682 1043609073 /nfs/dbraw/zinc/60/90/73/1043609073.db2.gz MBWZKKYIFIIEIU-UHFFFAOYSA-N 1 2 362.462 2.794 20 30 FFEDLO C=CCCCCC[N@H+]1Cc2ccnn2CC[C@H]1C(=O)Nc1nccn1C ZINC001279830000 1043733953 /nfs/dbraw/zinc/73/39/53/1043733953.db2.gz QUJQPBLCCXFYIV-KRWDZBQOSA-N 1 2 356.474 2.576 20 30 FFEDLO C=CCCCCC[N@@H+]1Cc2ccnn2CC[C@H]1C(=O)Nc1nccn1C ZINC001279830000 1043733959 /nfs/dbraw/zinc/73/39/59/1043733959.db2.gz QUJQPBLCCXFYIV-KRWDZBQOSA-N 1 2 356.474 2.576 20 30 FFEDLO CCCCCCC[N@@H+]1Cc2ccnn2CC[C@@H]1C(=O)Nc1nccn1C ZINC001279865403 1043797899 /nfs/dbraw/zinc/79/78/99/1043797899.db2.gz YFAGRBXGXCGSMM-QGZVFWFLSA-N 1 2 358.490 2.800 20 30 FFEDLO CCCCCCC[N@H+]1Cc2ccnn2CC[C@@H]1C(=O)Nc1nccn1C ZINC001279865403 1043797906 /nfs/dbraw/zinc/79/79/06/1043797906.db2.gz YFAGRBXGXCGSMM-QGZVFWFLSA-N 1 2 358.490 2.800 20 30 FFEDLO Cc1cc(C[N@@H+]2CCc3n[nH]c(C(=O)NC4(C#N)CCC4)c3C2)c(C)s1 ZINC001279967248 1043999376 /nfs/dbraw/zinc/99/93/76/1043999376.db2.gz VDZFJEUBBAEPQO-UHFFFAOYSA-N 1 2 369.494 2.822 20 30 FFEDLO Cc1cc(C[N@H+]2CCc3n[nH]c(C(=O)NC4(C#N)CCC4)c3C2)c(C)s1 ZINC001279967248 1043999384 /nfs/dbraw/zinc/99/93/84/1043999384.db2.gz VDZFJEUBBAEPQO-UHFFFAOYSA-N 1 2 369.494 2.822 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3OCCN(Cc4ccc[nH]4)[C@H]3C2)c(Cl)c1 ZINC001280037775 1044119309 /nfs/dbraw/zinc/11/93/09/1044119309.db2.gz GFKNQRYALZCBOZ-OALUTQOASA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3OCCN(Cc4ccc[nH]4)[C@H]3C2)c(Cl)c1 ZINC001280037775 1044119310 /nfs/dbraw/zinc/11/93/10/1044119310.db2.gz GFKNQRYALZCBOZ-OALUTQOASA-N 1 2 356.857 2.625 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCC3(C#N)CCCC3)C2)c1 ZINC001312955137 1044198356 /nfs/dbraw/zinc/19/83/56/1044198356.db2.gz ZBZVWOVPNPUCJW-IBGZPJMESA-N 1 2 370.497 2.579 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NCC3(C#N)CCCC3)C2)c1 ZINC001312955137 1044198366 /nfs/dbraw/zinc/19/83/66/1044198366.db2.gz ZBZVWOVPNPUCJW-IBGZPJMESA-N 1 2 370.497 2.579 20 30 FFEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)C1 ZINC001313292673 1044301186 /nfs/dbraw/zinc/30/11/86/1044301186.db2.gz SRTBPJUMOCYPFT-DLBZAZTESA-N 1 2 357.502 2.520 20 30 FFEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)C1 ZINC001313292673 1044301198 /nfs/dbraw/zinc/30/11/98/1044301198.db2.gz SRTBPJUMOCYPFT-DLBZAZTESA-N 1 2 357.502 2.520 20 30 FFEDLO N#Cc1cc2cccnc2nc1-c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001240449505 1044346620 /nfs/dbraw/zinc/34/66/20/1044346620.db2.gz JFUDVGKFLHAIBN-UHFFFAOYSA-N 1 2 360.417 2.879 20 30 FFEDLO O/N=C/c1cc(-c2cnn(CC[NH+]3CCOCC3)c2)cc(C(F)(F)F)c1 ZINC001240543504 1044380109 /nfs/dbraw/zinc/38/01/09/1044380109.db2.gz RKIYLEIFRPFZAQ-LSHDLFTRSA-N 1 2 368.359 2.709 20 30 FFEDLO CCOc1ccc(Cl)cc1C[NH+]1CC2(C[C@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001280262426 1044495061 /nfs/dbraw/zinc/49/50/61/1044495061.db2.gz UTRUINNDSUIRBX-KRWDZBQOSA-N 1 2 373.884 2.933 20 30 FFEDLO C=CCN(CC=C)C(=O)N1C[C@@H]2C[N@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001280316865 1044596889 /nfs/dbraw/zinc/59/68/89/1044596889.db2.gz BOYJRXXRMKLJPU-GASCZTMLSA-N 1 2 361.408 2.508 20 30 FFEDLO C=CCN(CC=C)C(=O)N1C[C@@H]2C[N@@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001280316865 1044596905 /nfs/dbraw/zinc/59/69/05/1044596905.db2.gz BOYJRXXRMKLJPU-GASCZTMLSA-N 1 2 361.408 2.508 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC[N@@H+](Cc1ncc(Cl)s1)C1CC1 ZINC001316924471 1045042439 /nfs/dbraw/zinc/04/24/39/1045042439.db2.gz SHIJAVSDMNJLOE-KGLIPLIRSA-N 1 2 369.918 2.858 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC[N@H+](Cc1ncc(Cl)s1)C1CC1 ZINC001316924471 1045042452 /nfs/dbraw/zinc/04/24/52/1045042452.db2.gz SHIJAVSDMNJLOE-KGLIPLIRSA-N 1 2 369.918 2.858 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001281788564 1045132549 /nfs/dbraw/zinc/13/25/49/1045132549.db2.gz FNYKZGWBGSWGEX-CXAGYDPISA-N 1 2 354.454 2.742 20 30 FFEDLO N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)CC2=O)cc1 ZINC001318036207 1045197826 /nfs/dbraw/zinc/19/78/26/1045197826.db2.gz PLCRINQACCLTHL-MRXNPFEDSA-N 1 2 371.400 2.736 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001539427336 1070635571 /nfs/dbraw/zinc/63/55/71/1070635571.db2.gz BDFFWHDETLGRFR-BCDXTJNWSA-N 1 2 373.545 2.534 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2Cc2sc(C)nc2C)CC1 ZINC001539430389 1070636843 /nfs/dbraw/zinc/63/68/43/1070636843.db2.gz IZSWENIHJLSHPI-AWEZNQCLSA-N 1 2 372.542 2.668 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCCCS2)CC1 ZINC001539447468 1070639577 /nfs/dbraw/zinc/63/95/77/1070639577.db2.gz SEMWHPCJJNVGAO-SFHVURJKSA-N 1 2 373.570 2.977 20 30 FFEDLO C=CCO[C@H]1CC[N@H+](Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC001323730330 1045700350 /nfs/dbraw/zinc/70/03/50/1045700350.db2.gz TXOGZRHIELJAAZ-KRWDZBQOSA-N 1 2 357.479 2.850 20 30 FFEDLO C=CCO[C@H]1CC[N@@H+](Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC001323730330 1045700354 /nfs/dbraw/zinc/70/03/54/1045700354.db2.gz TXOGZRHIELJAAZ-KRWDZBQOSA-N 1 2 357.479 2.850 20 30 FFEDLO CN(C)c1ncccc1C=[NH+]Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC001324052094 1045843687 /nfs/dbraw/zinc/84/36/87/1045843687.db2.gz YAYHNZWJTNCLNX-UHFFFAOYSA-N 1 2 354.382 2.590 20 30 FFEDLO Cc1cc(C[N@@H+]2CCCN(c3nc4cc(Cl)ccn4c3C#N)CC2)no1 ZINC001322427962 1046080468 /nfs/dbraw/zinc/08/04/68/1046080468.db2.gz OLXVJVRNKGKMLX-UHFFFAOYSA-N 1 2 370.844 2.868 20 30 FFEDLO Cc1cc(C[N@H+]2CCCN(c3nc4cc(Cl)ccn4c3C#N)CC2)no1 ZINC001322427962 1046080483 /nfs/dbraw/zinc/08/04/83/1046080483.db2.gz OLXVJVRNKGKMLX-UHFFFAOYSA-N 1 2 370.844 2.868 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC[N@H+](C)Cc1ccncc1Cl)C(C)C ZINC001284545635 1046568285 /nfs/dbraw/zinc/56/82/85/1046568285.db2.gz YNMCTNURZNVTCD-AEFFLSMTSA-N 1 2 365.905 2.995 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC[N@@H+](C)Cc1ccncc1Cl)C(C)C ZINC001284545635 1046568298 /nfs/dbraw/zinc/56/82/98/1046568298.db2.gz YNMCTNURZNVTCD-AEFFLSMTSA-N 1 2 365.905 2.995 20 30 FFEDLO C=CCn1cc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)nn1 ZINC001326358215 1046895629 /nfs/dbraw/zinc/89/56/29/1046895629.db2.gz HJGMJKFUWVHNBO-UHFFFAOYSA-N 1 2 365.441 2.579 20 30 FFEDLO C#CCN(C)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001286370259 1047090149 /nfs/dbraw/zinc/09/01/49/1047090149.db2.gz PSJQKPQEZSMIEP-UHFFFAOYSA-N 1 2 357.421 2.577 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2C2CC(C(C)(C)C)C2)CC1 ZINC001286481234 1047122956 /nfs/dbraw/zinc/12/29/56/1047122956.db2.gz UBOATXGZSSGGEQ-WWDZGPRUSA-N 1 2 371.529 2.534 20 30 FFEDLO C=CC1CCN(c2nnc(C3CCC3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001286660334 1047148793 /nfs/dbraw/zinc/14/87/93/1047148793.db2.gz IOJALSHRGLFEFF-MRXNPFEDSA-N 1 2 359.518 2.669 20 30 FFEDLO C=CC1CCN(c2nnc(C3CCC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001286660334 1047148798 /nfs/dbraw/zinc/14/87/98/1047148798.db2.gz IOJALSHRGLFEFF-MRXNPFEDSA-N 1 2 359.518 2.669 20 30 FFEDLO C=CCC1(C(=O)N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)CCCCC1 ZINC001289842384 1047758103 /nfs/dbraw/zinc/75/81/03/1047758103.db2.gz GSPAJYCTHPSWBX-IAGOWNOFSA-N 1 2 370.497 2.538 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C/c3ccc(C=O)cc3)CC2)cc1 ZINC001290046166 1047812936 /nfs/dbraw/zinc/81/29/36/1047812936.db2.gz NSSFXHNQEDGYCZ-MDZDMXLPSA-N 1 2 359.429 2.728 20 30 FFEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC001290328433 1048022172 /nfs/dbraw/zinc/02/21/72/1048022172.db2.gz QGIFEYISYCOYIX-KURKYZTESA-N 1 2 360.502 2.619 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001290566423 1048220027 /nfs/dbraw/zinc/22/00/27/1048220027.db2.gz PNLJZXZKOFDTKQ-RCCFBDPRSA-N 1 2 370.497 2.594 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001290566423 1048220035 /nfs/dbraw/zinc/22/00/35/1048220035.db2.gz PNLJZXZKOFDTKQ-RCCFBDPRSA-N 1 2 370.497 2.594 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C)CCC1 ZINC001290719631 1048342720 /nfs/dbraw/zinc/34/27/20/1048342720.db2.gz DHBAHRBENMXCRB-BBWFWOEESA-N 1 2 358.486 2.686 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@](O)(c3ccccc3)C2)C1=O ZINC001329919704 1048968263 /nfs/dbraw/zinc/96/82/63/1048968263.db2.gz KFJKVTYJCMNJRJ-YLJYHZDGSA-N 1 2 367.474 2.709 20 30 FFEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@](O)(c3ccccc3)C2)C1=O ZINC001329919704 1048968272 /nfs/dbraw/zinc/96/82/72/1048968272.db2.gz KFJKVTYJCMNJRJ-YLJYHZDGSA-N 1 2 367.474 2.709 20 30 FFEDLO CCc1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001292819743 1049405015 /nfs/dbraw/zinc/40/50/15/1049405015.db2.gz MVEIYVIBUJHROC-INIZCTEOSA-N 1 2 363.469 2.729 20 30 FFEDLO N#C[C@H](C(=O)Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccccc1Cl ZINC001341840398 1050451385 /nfs/dbraw/zinc/45/13/85/1050451385.db2.gz HILVCOOXIHAQMY-CYBMUJFWSA-N 1 2 356.813 2.763 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)Cc1ccoc1 ZINC001342013322 1050608775 /nfs/dbraw/zinc/60/87/75/1050608775.db2.gz YLXDSVBRJNGOAN-DLBZAZTESA-N 1 2 357.458 2.619 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)Cc1ccoc1 ZINC001342013322 1050608778 /nfs/dbraw/zinc/60/87/78/1050608778.db2.gz YLXDSVBRJNGOAN-DLBZAZTESA-N 1 2 357.458 2.619 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(Cc1cccc(F)c1)C(C)C ZINC001342061449 1050658742 /nfs/dbraw/zinc/65/87/42/1050658742.db2.gz HPWWJMMPQKJPQQ-ROUUACIJSA-N 1 2 373.476 2.756 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(Cc1cccc(F)c1)C(C)C ZINC001342061449 1050658748 /nfs/dbraw/zinc/65/87/48/1050658748.db2.gz HPWWJMMPQKJPQQ-ROUUACIJSA-N 1 2 373.476 2.756 20 30 FFEDLO C=CCn1c([C@H](C)CCC#N)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001340345747 1050742474 /nfs/dbraw/zinc/74/24/74/1050742474.db2.gz JWDASKJUNWZPJZ-MRXNPFEDSA-N 1 2 351.458 2.593 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C ZINC001340376034 1050770319 /nfs/dbraw/zinc/77/03/19/1050770319.db2.gz RNGYCOUGUAYECK-WNHJNPCNSA-N 1 2 367.497 2.584 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C ZINC001340376034 1050770336 /nfs/dbraw/zinc/77/03/36/1050770336.db2.gz RNGYCOUGUAYECK-WNHJNPCNSA-N 1 2 367.497 2.584 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)[C@@H]1CCCc2c1cnn2C ZINC001340420795 1050816200 /nfs/dbraw/zinc/81/62/00/1050816200.db2.gz DRAJHPLDUDGFCV-QGZVFWFLSA-N 1 2 369.517 2.697 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001342247018 1050837672 /nfs/dbraw/zinc/83/76/72/1050837672.db2.gz HBAASYAMHOQZQB-FXAWDEMLSA-N 1 2 372.517 2.766 20 30 FFEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001342247018 1050837679 /nfs/dbraw/zinc/83/76/79/1050837679.db2.gz HBAASYAMHOQZQB-FXAWDEMLSA-N 1 2 372.517 2.766 20 30 FFEDLO C=CCn1c([C@@H](CC)OCC)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001340475357 1050870539 /nfs/dbraw/zinc/87/05/39/1050870539.db2.gz WJEPQZQISVUPMH-GOSISDBHSA-N 1 2 370.501 2.669 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@H](COC)C1 ZINC001342323434 1050918295 /nfs/dbraw/zinc/91/82/95/1050918295.db2.gz GCKQDNQWBXLMCV-DLBZAZTESA-N 1 2 358.490 2.769 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H]1CSC ZINC001340628220 1051007574 /nfs/dbraw/zinc/00/75/74/1051007574.db2.gz WRKPMIRBHQZWIR-KRWDZBQOSA-N 1 2 374.558 2.889 20 30 FFEDLO C=CCn1c(N2Cc3ccc(Cl)cc3C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340701528 1051066302 /nfs/dbraw/zinc/06/63/02/1051066302.db2.gz MWJYKUYOFXNZPB-APWZRJJASA-N 1 2 373.888 2.549 20 30 FFEDLO C=CCn1c(N2Cc3ccc(Cl)cc3C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340701528 1051066309 /nfs/dbraw/zinc/06/63/09/1051066309.db2.gz MWJYKUYOFXNZPB-APWZRJJASA-N 1 2 373.888 2.549 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001340911054 1051240277 /nfs/dbraw/zinc/24/02/77/1051240277.db2.gz OKBHTHYNCGMRMV-HUUCEWRRSA-N 1 2 362.547 2.721 20 30 FFEDLO COCCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(CCC#N)CCC(C)C ZINC001342758093 1051373187 /nfs/dbraw/zinc/37/31/87/1051373187.db2.gz VHUUFTFMRNBMBX-QGZVFWFLSA-N 1 2 362.522 2.847 20 30 FFEDLO COCCn1c([C@H]2CCCC[N@H+]2C)nnc1N(CCC#N)CCC(C)C ZINC001342758093 1051373192 /nfs/dbraw/zinc/37/31/92/1051373192.db2.gz VHUUFTFMRNBMBX-QGZVFWFLSA-N 1 2 362.522 2.847 20 30 FFEDLO C=C(C)Cn1c(C2CC=CC2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001342816843 1051425256 /nfs/dbraw/zinc/42/52/56/1051425256.db2.gz QQAJAILYWRVQBL-UHFFFAOYSA-N 1 2 368.485 2.906 20 30 FFEDLO C[C@@H](CC#N)N(C)c1nnc(C[NH+]2CCCC2)n1CCc1ccccc1 ZINC001341500373 1051854304 /nfs/dbraw/zinc/85/43/04/1051854304.db2.gz CBKHMUPPHZPSRN-KRWDZBQOSA-N 1 2 352.486 2.855 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C3(CC)CC3)[C@H]2CC)c1 ZINC001316737324 1051923647 /nfs/dbraw/zinc/92/36/47/1051923647.db2.gz KDOFAHHMKDJWCZ-RBUKOAKNSA-N 1 2 367.493 2.766 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C3(CC)CC3)[C@H]2CC)c1 ZINC001316737324 1051923663 /nfs/dbraw/zinc/92/36/63/1051923663.db2.gz KDOFAHHMKDJWCZ-RBUKOAKNSA-N 1 2 367.493 2.766 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2ccccc2C)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001343405621 1052210107 /nfs/dbraw/zinc/21/01/07/1052210107.db2.gz SSRCEMMYTMPDPI-GHTZIAJQSA-N 1 2 369.513 2.711 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2ccccc2C)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001343405621 1052210115 /nfs/dbraw/zinc/21/01/15/1052210115.db2.gz SSRCEMMYTMPDPI-GHTZIAJQSA-N 1 2 369.513 2.711 20 30 FFEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](CF)C1 ZINC001345110638 1052264755 /nfs/dbraw/zinc/26/47/55/1052264755.db2.gz NYBZWPGHWHYIHL-MRXNPFEDSA-N 1 2 362.497 2.823 20 30 FFEDLO C#CC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)CC1CC1 ZINC001307588059 1052324439 /nfs/dbraw/zinc/32/44/39/1052324439.db2.gz ICYHVHDKUVWPNI-UHFFFAOYSA-N 1 2 360.479 2.697 20 30 FFEDLO C#CC[N@H+](CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)CC1CC1 ZINC001307588059 1052324443 /nfs/dbraw/zinc/32/44/43/1052324443.db2.gz ICYHVHDKUVWPNI-UHFFFAOYSA-N 1 2 360.479 2.697 20 30 FFEDLO COC(=O)c1ccc(F)c(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC001308010983 1052383005 /nfs/dbraw/zinc/38/30/05/1052383005.db2.gz HTTCHEUXGKUANQ-UHFFFAOYSA-N 1 2 353.397 2.806 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@@H]1CCSC1 ZINC001343783690 1052417699 /nfs/dbraw/zinc/41/76/99/1052417699.db2.gz NSKXPUHMJIGRJU-HZPDHXFCSA-N 1 2 365.547 2.578 20 30 FFEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@@H]1CCSC1 ZINC001343783690 1052417706 /nfs/dbraw/zinc/41/77/06/1052417706.db2.gz NSKXPUHMJIGRJU-HZPDHXFCSA-N 1 2 365.547 2.578 20 30 FFEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c(C2CCOCC2)n1 ZINC001308958310 1052526695 /nfs/dbraw/zinc/52/66/95/1052526695.db2.gz GPFBZFRTHXZVJP-HXUWFJFHSA-N 1 2 366.465 2.759 20 30 FFEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c(C2CCOCC2)n1 ZINC001308958310 1052526701 /nfs/dbraw/zinc/52/67/01/1052526701.db2.gz GPFBZFRTHXZVJP-HXUWFJFHSA-N 1 2 366.465 2.759 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](Cn1c(C3CC3)nnc1N(C)C[C@@H](C)C#N)CCC2 ZINC001542832663 1071316722 /nfs/dbraw/zinc/31/67/22/1071316722.db2.gz VFYRCDSMIWWBBZ-XJKSGUPXSA-N 1 2 353.474 2.834 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[C@H](C)n2cc[nH+]c2)CCC1 ZINC001344103596 1052597216 /nfs/dbraw/zinc/59/72/16/1052597216.db2.gz BLMBFWMUUFENKB-RCCFBDPRSA-N 1 2 370.497 2.571 20 30 FFEDLO CC(C)(COC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)n1cc[nH+]c1 ZINC001344108064 1052600865 /nfs/dbraw/zinc/60/08/65/1052600865.db2.gz RDMRODUENVWKBE-HNNXBMFYSA-N 1 2 356.401 2.699 20 30 FFEDLO CN(c1nnc(C[NH+]2CCCCC2)n1C[C@@H]1CCCO1)[C@H]1CCC[C@H]1C#N ZINC001344117998 1052607392 /nfs/dbraw/zinc/60/73/92/1052607392.db2.gz JLUOZBVBXYWJSW-BZSNNMDCSA-N 1 2 372.517 2.571 20 30 FFEDLO CC#CCCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001344308277 1052702648 /nfs/dbraw/zinc/70/26/48/1052702648.db2.gz UTKYNMKNCVFAIO-DOTOQJQBSA-N 1 2 366.465 2.771 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(C)(C#N)CC1 ZINC001344823287 1052941948 /nfs/dbraw/zinc/94/19/48/1052941948.db2.gz RUGMQMICDNSBSJ-KRWDZBQOSA-N 1 2 374.533 2.846 20 30 FFEDLO CC(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(C)(C#N)CC1 ZINC001344823287 1052941950 /nfs/dbraw/zinc/94/19/50/1052941950.db2.gz RUGMQMICDNSBSJ-KRWDZBQOSA-N 1 2 374.533 2.846 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)[C@@H]1CCC(F)(F)C1 ZINC001346719996 1053256108 /nfs/dbraw/zinc/25/61/08/1053256108.db2.gz JTMRIGOCGDEOSW-OAHLLOKOSA-N 1 2 369.433 2.910 20 30 FFEDLO N#Cc1ccc(CSCC(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)cc1 ZINC001347487116 1054035743 /nfs/dbraw/zinc/03/57/43/1054035743.db2.gz CXWZBTMOCPFKFR-UHFFFAOYSA-N 1 2 354.479 2.996 20 30 FFEDLO C=C(C)c1cccc(NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC001347894707 1054433206 /nfs/dbraw/zinc/43/32/06/1054433206.db2.gz WKJKORUPGUNZRG-UHFFFAOYSA-N 1 2 352.438 2.550 20 30 FFEDLO C#C[C@H](NC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)[C@@H]1CCCO1 ZINC001348676624 1054856781 /nfs/dbraw/zinc/85/67/81/1054856781.db2.gz SSZGIEOTZJOGMW-BQFCYCMXSA-N 1 2 358.486 2.708 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCOC2(CCCCC2)C1 ZINC001351656812 1054942377 /nfs/dbraw/zinc/94/23/77/1054942377.db2.gz MGEUFOWSYASREH-UHFFFAOYSA-N 1 2 359.518 2.990 20 30 FFEDLO C=CCCn1cc(C(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)nn1 ZINC001337683621 1054942894 /nfs/dbraw/zinc/94/28/94/1054942894.db2.gz FFYFFDHMCOAMPZ-OAHLLOKOSA-N 1 2 356.474 2.826 20 30 FFEDLO N#Cc1cccc(C2(C(=O)N3CC[NH+](Cc4ccc(O)cc4)CC3)CC2)c1 ZINC001352019750 1055127206 /nfs/dbraw/zinc/12/72/06/1055127206.db2.gz JMXGEFHHXIUNCO-UHFFFAOYSA-N 1 2 361.445 2.640 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCCc2sccc2C1 ZINC001352094205 1055187312 /nfs/dbraw/zinc/18/73/12/1055187312.db2.gz VJALKUULYFDNIJ-UHFFFAOYSA-N 1 2 354.483 2.803 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)CCCOc1ccccc1 ZINC001352094083 1055187419 /nfs/dbraw/zinc/18/74/19/1055187419.db2.gz RLZREKDILGLNGC-UHFFFAOYSA-N 1 2 366.469 2.694 20 30 FFEDLO C#CCOc1ccc(CNC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc1 ZINC001543709398 1071529984 /nfs/dbraw/zinc/52/99/84/1071529984.db2.gz YFDZAZHQSDKWBU-UHFFFAOYSA-N 1 2 369.371 2.951 20 30 FFEDLO C=CCCC1(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCCC2)CC1 ZINC001356939931 1055718341 /nfs/dbraw/zinc/71/83/41/1055718341.db2.gz USFBXHITZWRMOE-HZPDHXFCSA-N 1 2 370.497 2.805 20 30 FFEDLO C=CCCC1(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCCC2)CC1 ZINC001356939931 1055718352 /nfs/dbraw/zinc/71/83/52/1055718352.db2.gz USFBXHITZWRMOE-HZPDHXFCSA-N 1 2 370.497 2.805 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001356958437 1055725691 /nfs/dbraw/zinc/72/56/91/1055725691.db2.gz XTWWMOMQMFUKDN-STXHMFSFSA-N 1 2 358.486 2.517 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001356958437 1055725703 /nfs/dbraw/zinc/72/57/03/1055725703.db2.gz XTWWMOMQMFUKDN-STXHMFSFSA-N 1 2 358.486 2.517 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@]1(C)c1ccccc1 ZINC001338777069 1055805828 /nfs/dbraw/zinc/80/58/28/1055805828.db2.gz ZSTQVGWJZKWBRV-BBTUJRGHSA-N 1 2 367.497 2.717 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@]1(C)c1ccccc1 ZINC001338777069 1055805839 /nfs/dbraw/zinc/80/58/39/1055805839.db2.gz ZSTQVGWJZKWBRV-BBTUJRGHSA-N 1 2 367.497 2.717 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001338851032 1055870421 /nfs/dbraw/zinc/87/04/21/1055870421.db2.gz GRAQMPLTHIVUIW-OAGGEKHMSA-N 1 2 365.547 2.576 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001338851032 1055870431 /nfs/dbraw/zinc/87/04/31/1055870431.db2.gz GRAQMPLTHIVUIW-OAGGEKHMSA-N 1 2 365.547 2.576 20 30 FFEDLO C=CCn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1C1(C#N)CCCC1 ZINC001338963084 1055969853 /nfs/dbraw/zinc/96/98/53/1055969853.db2.gz GTDGUADMODGJFI-UHFFFAOYSA-N 1 2 363.469 2.521 20 30 FFEDLO C#CC[N@H+]1CCCN(C(=O)C(F)(F)c2ccccc2Br)CC1 ZINC001544085057 1071593734 /nfs/dbraw/zinc/59/37/34/1071593734.db2.gz ZPJQEKLCKHWEMZ-UHFFFAOYSA-N 1 2 371.225 2.708 20 30 FFEDLO C#CC[N@@H+]1CCCN(C(=O)C(F)(F)c2ccccc2Br)CC1 ZINC001544085057 1071593742 /nfs/dbraw/zinc/59/37/42/1071593742.db2.gz ZPJQEKLCKHWEMZ-UHFFFAOYSA-N 1 2 371.225 2.708 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCO[C@@](C)(CC)C1 ZINC001339110677 1056102453 /nfs/dbraw/zinc/10/24/53/1056102453.db2.gz SKSTWLSNIWCBEG-FQEVSTJZSA-N 1 2 372.517 2.562 20 30 FFEDLO C#CCOc1ccc(F)cc1NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001351365091 1056224077 /nfs/dbraw/zinc/22/40/77/1056224077.db2.gz NJKAQUOEWYTIBG-UHFFFAOYSA-N 1 2 362.430 2.678 20 30 FFEDLO N#Cc1ccc(CC(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)cn1 ZINC001351375274 1056231506 /nfs/dbraw/zinc/23/15/06/1056231506.db2.gz RJLGPBIQMQOVMI-UHFFFAOYSA-N 1 2 374.448 2.997 20 30 FFEDLO C=CC[C@@H]1N(c2nnc([C@]3(C)C[C@@H](O)C[N@@H+]3C)n2CC)CCCC1(C)C ZINC001339241689 1056240951 /nfs/dbraw/zinc/24/09/51/1056240951.db2.gz WTGPBYVVRNACIG-GUXCAODWSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CC[C@@H]1N(c2nnc([C@]3(C)C[C@@H](O)C[N@H+]3C)n2CC)CCCC1(C)C ZINC001339241689 1056240957 /nfs/dbraw/zinc/24/09/57/1056240957.db2.gz WTGPBYVVRNACIG-GUXCAODWSA-N 1 2 361.534 2.781 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)C[C@](C)(O)c1ccccc1 ZINC001339528108 1056549572 /nfs/dbraw/zinc/54/95/72/1056549572.db2.gz CGJIQJUQYIORNG-RXVVDRJESA-N 1 2 369.513 2.965 20 30 FFEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)C[C@](C)(O)c1ccccc1 ZINC001339528108 1056549589 /nfs/dbraw/zinc/54/95/89/1056549589.db2.gz CGJIQJUQYIORNG-RXVVDRJESA-N 1 2 369.513 2.965 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)C1CCC(C)CC1 ZINC001339606938 1056630767 /nfs/dbraw/zinc/63/07/67/1056630767.db2.gz POGVCEJUUILHEO-UHFFFAOYSA-N 1 2 361.534 2.683 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc(Cc2[nH+]ccn2C)n1CCOC ZINC001514748040 1059077970 /nfs/dbraw/zinc/07/79/70/1059077970.db2.gz PLZJOQVPKUYENT-UHFFFAOYSA-N 1 2 372.498 2.503 20 30 FFEDLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCCO2)nnc1N(C)C[C@H](C)C#N ZINC001504460171 1059183254 /nfs/dbraw/zinc/18/32/54/1059183254.db2.gz UBBBTGUEBYMTFE-PBHICJAKSA-N 1 2 370.457 2.567 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2Cc2c(C)coc2C)CC1 ZINC001507731262 1059702655 /nfs/dbraw/zinc/70/26/55/1059702655.db2.gz DSMJEDVSVXWCJB-UHFFFAOYSA-N 1 2 367.497 2.949 20 30 FFEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCOC1 ZINC001515899688 1059873273 /nfs/dbraw/zinc/87/32/73/1059873273.db2.gz WYHZIBHQBZUTKI-SJORKVTESA-N 1 2 372.517 2.601 20 30 FFEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCOC1 ZINC001515899688 1059873299 /nfs/dbraw/zinc/87/32/99/1059873299.db2.gz WYHZIBHQBZUTKI-SJORKVTESA-N 1 2 372.517 2.601 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)n2CC(=C)C)C1 ZINC001516031274 1059935143 /nfs/dbraw/zinc/93/51/43/1059935143.db2.gz CPJFOEPOOHYHKB-QYZOEREBSA-N 1 2 369.513 2.630 20 30 FFEDLO C#C[C@@H]1CCCN(c2nnc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)n2CC(=C)C)C1 ZINC001516031274 1059935162 /nfs/dbraw/zinc/93/51/62/1059935162.db2.gz CPJFOEPOOHYHKB-QYZOEREBSA-N 1 2 369.513 2.630 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCCO1 ZINC001516562639 1060146088 /nfs/dbraw/zinc/14/60/88/1060146088.db2.gz GPPBVBAGJXTBKH-IAGOWNOFSA-N 1 2 372.517 2.744 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCCO1 ZINC001516562639 1060146098 /nfs/dbraw/zinc/14/60/98/1060146098.db2.gz GPPBVBAGJXTBKH-IAGOWNOFSA-N 1 2 372.517 2.744 20 30 FFEDLO Cc1cc(NCCNC(=O)[C@H](C)Oc2ccccc2C#N)nc(C(C)C)[nH+]1 ZINC000600363788 1060311296 /nfs/dbraw/zinc/31/12/96/1060311296.db2.gz BNTNYLVWYMPMQE-HNNXBMFYSA-N 1 2 367.453 2.776 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)n1C ZINC001355734073 1060546983 /nfs/dbraw/zinc/54/69/83/1060546983.db2.gz JZFFSMDFPULUHY-DOTOQJQBSA-N 1 2 373.526 2.995 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc([C@H]2C[N@H+]3CCCC[C@H]3CO2)n1C ZINC001355734073 1060547003 /nfs/dbraw/zinc/54/70/03/1060547003.db2.gz JZFFSMDFPULUHY-DOTOQJQBSA-N 1 2 373.526 2.995 20 30 FFEDLO C#C[C@H]1CCCCN1C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001517636839 1060576214 /nfs/dbraw/zinc/57/62/14/1060576214.db2.gz ZXCBYNMRPJDKDP-KRWDZBQOSA-N 1 2 374.444 2.555 20 30 FFEDLO N#Cc1ncc(NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)nc1C#N ZINC001458708093 1060652428 /nfs/dbraw/zinc/65/24/28/1060652428.db2.gz BOLDXTKAMIEADM-UHFFFAOYSA-N 1 2 363.812 2.773 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(C=C)CC1 ZINC001355876318 1060684021 /nfs/dbraw/zinc/68/40/21/1060684021.db2.gz LUCYDBSCGLGOTD-QZTJIDSGSA-N 1 2 357.502 2.792 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC(C=C)CC1 ZINC001355876318 1060684029 /nfs/dbraw/zinc/68/40/29/1060684029.db2.gz LUCYDBSCGLGOTD-QZTJIDSGSA-N 1 2 357.502 2.792 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@H]1c1cccs1 ZINC001355920097 1060726717 /nfs/dbraw/zinc/72/67/17/1060726717.db2.gz NBDXDAKMCMIRLE-KKUMJFAQSA-N 1 2 359.499 2.605 20 30 FFEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@H]1c1cccs1 ZINC001355920097 1060726728 /nfs/dbraw/zinc/72/67/28/1060726728.db2.gz NBDXDAKMCMIRLE-KKUMJFAQSA-N 1 2 359.499 2.605 20 30 FFEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001355941884 1060744929 /nfs/dbraw/zinc/74/49/29/1060744929.db2.gz NFSQFKQHPCATGI-INIZCTEOSA-N 1 2 371.489 2.525 20 30 FFEDLO N#Cc1ccc(-n2ccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)n2)c(Cl)c1 ZINC000543005323 1061005816 /nfs/dbraw/zinc/00/58/16/1061005816.db2.gz MVZJOEMQAVULDR-ZDUSSCGKSA-N 1 2 366.812 2.795 20 30 FFEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1 ZINC001522060188 1061535122 /nfs/dbraw/zinc/53/51/22/1061535122.db2.gz OAJVPOMTERPUNX-VQIMIIECSA-N 1 2 354.433 2.535 20 30 FFEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1 ZINC001522060188 1061535143 /nfs/dbraw/zinc/53/51/43/1061535143.db2.gz OAJVPOMTERPUNX-VQIMIIECSA-N 1 2 354.433 2.535 20 30 FFEDLO C=CCCC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C3)CC1 ZINC001522149433 1061623610 /nfs/dbraw/zinc/62/36/10/1061623610.db2.gz JVBDSRQLJCSDJD-MHORFTMASA-N 1 2 370.497 2.829 20 30 FFEDLO CCNc1cc(CNC(=O)N(C)CCOCc2ccc(C#N)cc2)cc[nH+]1 ZINC001479372274 1062334098 /nfs/dbraw/zinc/33/40/98/1062334098.db2.gz BBOLEGPTCKZKMS-UHFFFAOYSA-N 1 2 367.453 2.743 20 30 FFEDLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C#N)ccc2OC(C)C)C1 ZINC001464466011 1062629242 /nfs/dbraw/zinc/62/92/42/1062629242.db2.gz FNKUWQWGCWFLSP-MRXNPFEDSA-N 1 2 373.453 2.559 20 30 FFEDLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C#N)ccc2OC(C)C)C1 ZINC001464466011 1062629252 /nfs/dbraw/zinc/62/92/52/1062629252.db2.gz FNKUWQWGCWFLSP-MRXNPFEDSA-N 1 2 373.453 2.559 20 30 FFEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2csc3ccc(Cl)cc32)C1 ZINC001464498180 1062646969 /nfs/dbraw/zinc/64/69/69/1062646969.db2.gz QPWIQSUTGBDCSW-ZDUSSCGKSA-N 1 2 368.911 2.931 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2csc3ccc(Cl)cc32)C1 ZINC001464498180 1062646980 /nfs/dbraw/zinc/64/69/80/1062646980.db2.gz QPWIQSUTGBDCSW-ZDUSSCGKSA-N 1 2 368.911 2.931 20 30 FFEDLO Cc1ccccc1[C@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)CC[NH2+]1 ZINC001464876394 1062888579 /nfs/dbraw/zinc/88/85/79/1062888579.db2.gz VQUIPXSLDNFEIP-GOSISDBHSA-N 1 2 361.511 2.745 20 30 FFEDLO C=C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2nccc(C)n2)[C@@H]1C)c1ccccc1 ZINC001479729192 1062967519 /nfs/dbraw/zinc/96/75/19/1062967519.db2.gz MFOLKANCPXOYCK-QRQLOZEOSA-N 1 2 350.466 2.834 20 30 FFEDLO C=C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2nccc(C)n2)[C@@H]1C)c1ccccc1 ZINC001479729192 1062967551 /nfs/dbraw/zinc/96/75/51/1062967551.db2.gz MFOLKANCPXOYCK-QRQLOZEOSA-N 1 2 350.466 2.834 20 30 FFEDLO CN(c1nnc([C@H]2CCCC[N@@H+]2C)n1C[C@@H]1CCCO1)[C@@H]1CCC[C@@H]1C#N ZINC001525295363 1063240126 /nfs/dbraw/zinc/24/01/26/1063240126.db2.gz XFRWTPKXPKILLL-XMTFNYHQSA-N 1 2 372.517 2.742 20 30 FFEDLO CN(c1nnc([C@H]2CCCC[N@H+]2C)n1C[C@@H]1CCCO1)[C@@H]1CCC[C@@H]1C#N ZINC001525295363 1063240142 /nfs/dbraw/zinc/24/01/42/1063240142.db2.gz XFRWTPKXPKILLL-XMTFNYHQSA-N 1 2 372.517 2.742 20 30 FFEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001469874671 1064222563 /nfs/dbraw/zinc/22/25/63/1064222563.db2.gz OPANYJKYIFURPO-OAQYLSRUSA-N 1 2 374.444 2.538 20 30 FFEDLO Cc1nsc(N2CC[NH+](Cc3cc(C#N)ccc3N(C)C)CC2)c1C#N ZINC001474555228 1065551538 /nfs/dbraw/zinc/55/15/38/1065551538.db2.gz SVKYMJMCCMURLY-UHFFFAOYSA-N 1 2 366.494 2.583 20 30 FFEDLO C=CCCC(=O)N1CCC(CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001582891454 1079136158 /nfs/dbraw/zinc/13/61/58/1079136158.db2.gz GWOSRKPYGSNFHE-IAGOWNOFSA-N 1 2 358.486 2.567 20 30 FFEDLO C=CCCC(=O)N1CCC(CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001582891454 1079136165 /nfs/dbraw/zinc/13/61/65/1079136165.db2.gz GWOSRKPYGSNFHE-IAGOWNOFSA-N 1 2 358.486 2.567 20 30 FFEDLO N#CCc1cccc2c1CCN(C(=O)c1cc(-n3cc[nH+]c3)ccc1O)C2 ZINC001557816986 1075895042 /nfs/dbraw/zinc/89/50/42/1075895042.db2.gz NHOIRGYFHKITPS-UHFFFAOYSA-N 1 2 358.401 2.842 20 30 FFEDLO CC(C)(C)OC(=O)C[NH+]1CCC(Nc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC001559259724 1076140809 /nfs/dbraw/zinc/14/08/09/1076140809.db2.gz JCJUBRQBAWIINQ-UHFFFAOYSA-N 1 2 360.414 2.684 20 30 FFEDLO C#CCOCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(OC)c1 ZINC001560109952 1076228818 /nfs/dbraw/zinc/22/88/18/1076228818.db2.gz WPNXSVAZFRRUSP-IBGZPJMESA-N 1 2 374.481 2.939 20 30 FFEDLO C#CCOCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(OC)c1 ZINC001560109952 1076228823 /nfs/dbraw/zinc/22/88/23/1076228823.db2.gz WPNXSVAZFRRUSP-IBGZPJMESA-N 1 2 374.481 2.939 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nonc2C)C[C@H]1c1ccccc1 ZINC001565883664 1076779295 /nfs/dbraw/zinc/77/92/95/1076779295.db2.gz UMOPLHAEKCUPRN-FUHWJXTLSA-N 1 2 354.454 2.674 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nonc2C)C[C@H]1c1ccccc1 ZINC001565883664 1076779299 /nfs/dbraw/zinc/77/92/99/1076779299.db2.gz UMOPLHAEKCUPRN-FUHWJXTLSA-N 1 2 354.454 2.674 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)CC[C@@H]2C1 ZINC001566047588 1076875906 /nfs/dbraw/zinc/87/59/06/1076875906.db2.gz IGJYJQWIRZUPMX-MSOLQXFVSA-N 1 2 371.529 2.792 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)CC[C@@H]2C1 ZINC001566047588 1076875911 /nfs/dbraw/zinc/87/59/11/1076875911.db2.gz IGJYJQWIRZUPMX-MSOLQXFVSA-N 1 2 371.529 2.792 20 30 FFEDLO Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)[C@H]1C ZINC001566088813 1076893132 /nfs/dbraw/zinc/89/31/32/1076893132.db2.gz RAEIRJUQBNJEBL-MSOLQXFVSA-N 1 2 369.509 2.870 20 30 FFEDLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)[C@H]1C ZINC001566088813 1076893138 /nfs/dbraw/zinc/89/31/38/1076893138.db2.gz RAEIRJUQBNJEBL-MSOLQXFVSA-N 1 2 369.509 2.870 20 30 FFEDLO C#CCOc1ccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC001569241186 1077135621 /nfs/dbraw/zinc/13/56/21/1077135621.db2.gz QXCLZYXBSXZRPI-UHFFFAOYSA-N 1 2 359.429 2.802 20 30 FFEDLO C=CCC1(C(=O)N(C)C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001571720163 1077263476 /nfs/dbraw/zinc/26/34/76/1077263476.db2.gz JAEQNGRQRJHAHL-BRWVUGGUSA-N 1 2 370.497 2.709 20 30 FFEDLO C=CCC1(C(=O)N(C)C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001571720163 1077263478 /nfs/dbraw/zinc/26/34/78/1077263478.db2.gz JAEQNGRQRJHAHL-BRWVUGGUSA-N 1 2 370.497 2.709 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC001573059013 1077498709 /nfs/dbraw/zinc/49/87/09/1077498709.db2.gz QMKOVWCCKOVQSD-JFIYKMOQSA-N 1 2 366.465 2.610 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001573069731 1077508691 /nfs/dbraw/zinc/50/86/91/1077508691.db2.gz TWGDYDKRXKOWOB-QZTJIDSGSA-N 1 2 360.502 2.693 20 30 FFEDLO C=CCCC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C3)CC1 ZINC001574253116 1077939457 /nfs/dbraw/zinc/93/94/57/1077939457.db2.gz LFBNUPBOINRRSV-BGTYHANMSA-N 1 2 370.497 2.583 20 30 FFEDLO C=CCCC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C3)CC1 ZINC001574253116 1077939465 /nfs/dbraw/zinc/93/94/65/1077939465.db2.gz LFBNUPBOINRRSV-BGTYHANMSA-N 1 2 370.497 2.583 20 30 FFEDLO C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CCCNc1cccc[nH+]1 ZINC001587632697 1079831933 /nfs/dbraw/zinc/83/19/33/1079831933.db2.gz OIIUUJXDDOXLEX-IRXDYDNUSA-N 1 2 368.485 2.527 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CCCC(C)(C)COC)CC1 ZINC001588741880 1080177666 /nfs/dbraw/zinc/17/76/66/1080177666.db2.gz JUEFRYYTNSNDEX-UHFFFAOYSA-N 1 2 361.534 2.610 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CCc2ccc(C)cc2)CC1 ZINC001588806284 1080203823 /nfs/dbraw/zinc/20/38/23/1080203823.db2.gz LWOQUTZMWAXEPA-UHFFFAOYSA-N 1 2 363.509 2.852 20 30 FFEDLO Cc1ccc(C)c(C[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000038561867 249373063 /nfs/dbraw/zinc/37/30/63/249373063.db2.gz VQIGPSDHDBMPES-UHFFFAOYSA-N 1 2 369.490 2.682 20 30 FFEDLO N#Cc1cc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)ccc1F ZINC000103155594 250136606 /nfs/dbraw/zinc/13/66/06/250136606.db2.gz JJFSQGVHHRFWPO-UHFFFAOYSA-N 1 2 374.441 2.561 20 30 FFEDLO Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)on1 ZINC000104713388 250184540 /nfs/dbraw/zinc/18/45/40/250184540.db2.gz RPSXOLRDWUGZMB-AWEZNQCLSA-N 1 2 354.410 2.725 20 30 FFEDLO Cc1sc(NC(=O)C[NH+]2CCC(N3CCCCC3=O)CC2)c(C#N)c1C ZINC000153232077 251115317 /nfs/dbraw/zinc/11/53/17/251115317.db2.gz RNKZMKUQBYQDRT-UHFFFAOYSA-N 1 2 374.510 2.652 20 30 FFEDLO CC(C)[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271320234 251760738 /nfs/dbraw/zinc/76/07/38/251760738.db2.gz AQRFJNHEYAFZFV-UXHICEINSA-N 1 2 370.497 2.589 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)cc1 ZINC000272474711 252047395 /nfs/dbraw/zinc/04/73/95/252047395.db2.gz FYDFTTBFBVOLQG-IBGZPJMESA-N 1 2 374.444 2.542 20 30 FFEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)cc1 ZINC000272474711 252047397 /nfs/dbraw/zinc/04/73/97/252047397.db2.gz FYDFTTBFBVOLQG-IBGZPJMESA-N 1 2 374.444 2.542 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000272986546 252183547 /nfs/dbraw/zinc/18/35/47/252183547.db2.gz KBCXYTFWWRCQSD-UHFFFAOYSA-N 1 2 368.462 2.726 20 30 FFEDLO CNC(=O)C[N@H+](Cc1cc(C#N)n(C)c1)Cc1cccc(C(F)(F)F)c1 ZINC000276740636 256126180 /nfs/dbraw/zinc/12/61/80/256126180.db2.gz IYJPVZLWIUETTB-UHFFFAOYSA-N 1 2 364.371 2.664 20 30 FFEDLO CNC(=O)C[N@@H+](Cc1cc(C#N)n(C)c1)Cc1cccc(C(F)(F)F)c1 ZINC000276740636 256126182 /nfs/dbraw/zinc/12/61/82/256126182.db2.gz IYJPVZLWIUETTB-UHFFFAOYSA-N 1 2 364.371 2.664 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)c(Cl)c1 ZINC000277764231 256236623 /nfs/dbraw/zinc/23/66/23/256236623.db2.gz MOFHINNDJMPLOQ-UHFFFAOYSA-N 1 2 354.841 2.633 20 30 FFEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)COc1ccccc1C#N)CCCC2 ZINC000279106128 256382527 /nfs/dbraw/zinc/38/25/27/256382527.db2.gz BGKNPQQROKLOQF-SFHVURJKSA-N 1 2 364.449 2.913 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285599031 256994486 /nfs/dbraw/zinc/99/44/86/256994486.db2.gz PLKSUCUDUYECAW-MLGOLLRUSA-N 1 2 355.360 2.665 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285599031 256994487 /nfs/dbraw/zinc/99/44/87/256994487.db2.gz PLKSUCUDUYECAW-MLGOLLRUSA-N 1 2 355.360 2.665 20 30 FFEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000286631194 257046644 /nfs/dbraw/zinc/04/66/44/257046644.db2.gz SPPNWEKXWXTJBR-MRXNPFEDSA-N 1 2 351.328 2.738 20 30 FFEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000286631194 257046645 /nfs/dbraw/zinc/04/66/45/257046645.db2.gz SPPNWEKXWXTJBR-MRXNPFEDSA-N 1 2 351.328 2.738 20 30 FFEDLO N#Cc1ccc(NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)cc1F ZINC000289911045 257306190 /nfs/dbraw/zinc/30/61/90/257306190.db2.gz UJFFJQVJRSLQBB-UHFFFAOYSA-N 1 2 359.430 2.894 20 30 FFEDLO N#Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)cc1F ZINC000289911045 257306191 /nfs/dbraw/zinc/30/61/91/257306191.db2.gz UJFFJQVJRSLQBB-UHFFFAOYSA-N 1 2 359.430 2.894 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c(C#N)c1C ZINC000290019104 257311596 /nfs/dbraw/zinc/31/15/96/257311596.db2.gz VADMWQMIEIRHGE-SMDDNHRTSA-N 1 2 361.833 2.892 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c(C#N)c1C ZINC000290019104 257311597 /nfs/dbraw/zinc/31/15/97/257311597.db2.gz VADMWQMIEIRHGE-SMDDNHRTSA-N 1 2 361.833 2.892 20 30 FFEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000301140736 258028913 /nfs/dbraw/zinc/02/89/13/258028913.db2.gz AZOHECNGPUDOJM-IYBDPMFKSA-N 1 2 374.916 2.838 20 30 FFEDLO CC(=O)c1ccc(C#N)cc1N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000302065724 258085672 /nfs/dbraw/zinc/08/56/72/258085672.db2.gz VZQMNSDORCZSAF-UHFFFAOYSA-N 1 2 359.433 2.731 20 30 FFEDLO CCc1ccccc1NC(=O)C[NH+]1CCN(c2ccc(C)c(C#N)n2)CC1 ZINC000302734171 258109380 /nfs/dbraw/zinc/10/93/80/258109380.db2.gz YFCVDZRJBOAUBK-UHFFFAOYSA-N 1 2 363.465 2.585 20 30 FFEDLO CN(C(=O)C[NH+]1CCN(c2ccc(F)cc2C#N)CC1)C1CCCCC1 ZINC000301421871 258048800 /nfs/dbraw/zinc/04/88/00/258048800.db2.gz SIXFEYBCEWCNRV-UHFFFAOYSA-N 1 2 358.461 2.610 20 30 FFEDLO CC1CCC(NC(=O)C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)CC1 ZINC000301441811 258049982 /nfs/dbraw/zinc/04/99/82/258049982.db2.gz YCIFGKVETZVLSJ-UHFFFAOYSA-N 1 2 358.461 2.514 20 30 FFEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000332104631 258214026 /nfs/dbraw/zinc/21/40/26/258214026.db2.gz GNBWNEXTAMYCLU-HNNXBMFYSA-N 1 2 373.453 2.765 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1csc(Br)c1 ZINC000064994359 506247881 /nfs/dbraw/zinc/24/78/81/506247881.db2.gz HVBMLMWPERELIG-LLVKDONJSA-N 1 2 358.305 2.951 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1csc(Br)c1 ZINC000064994359 506247886 /nfs/dbraw/zinc/24/78/86/506247886.db2.gz HVBMLMWPERELIG-LLVKDONJSA-N 1 2 358.305 2.951 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801002 506252107 /nfs/dbraw/zinc/25/21/07/506252107.db2.gz UJKRXLINXGCFMU-UHFFFAOYSA-N 1 2 365.462 2.642 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801002 506252111 /nfs/dbraw/zinc/25/21/11/506252111.db2.gz UJKRXLINXGCFMU-UHFFFAOYSA-N 1 2 365.462 2.642 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000052800941 506252301 /nfs/dbraw/zinc/25/23/01/506252301.db2.gz QUPJWXJTXCODLM-UHFFFAOYSA-N 1 2 370.403 2.987 20 30 FFEDLO N#Cc1ccccc1N1CCC[N@H+](CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000052800941 506252305 /nfs/dbraw/zinc/25/23/05/506252305.db2.gz QUPJWXJTXCODLM-UHFFFAOYSA-N 1 2 370.403 2.987 20 30 FFEDLO Cn1ccc(/C=C2\C[NH+](C3CCCCC3)C/C(=C\c3ccn(C)n3)C2=O)n1 ZINC000373142847 512190835 /nfs/dbraw/zinc/19/08/35/512190835.db2.gz VBOMTRHDVIBABV-UNZYHPAISA-N 1 2 365.481 2.838 20 30 FFEDLO CC(=O)c1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000373163250 512201157 /nfs/dbraw/zinc/20/11/57/512201157.db2.gz KBHPAIRUYXRATP-UHFFFAOYSA-N 1 2 351.406 2.770 20 30 FFEDLO CCCN1C(=O)CC[C@@H](C(=O)Nc2cccc(C#N)c2)[C@@H]1c1c[nH+]cn1C ZINC000369073218 512215295 /nfs/dbraw/zinc/21/52/95/512215295.db2.gz BSRSDCJPCMPUAS-VQIMIIECSA-N 1 2 365.437 2.620 20 30 FFEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000371132258 512234801 /nfs/dbraw/zinc/23/48/01/512234801.db2.gz VKQDZOWDRJGMKX-FXAWDEMLSA-N 1 2 351.454 2.519 20 30 FFEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000371132258 512234805 /nfs/dbraw/zinc/23/48/05/512234805.db2.gz VKQDZOWDRJGMKX-FXAWDEMLSA-N 1 2 351.454 2.519 20 30 FFEDLO COc1ccccc1[C@@H](NCc1c[nH+]c2ccc(C#N)cn12)c1noc(C)n1 ZINC000375322693 512267229 /nfs/dbraw/zinc/26/72/29/512267229.db2.gz ULXLLRUPEHBXSN-LJQANCHMSA-N 1 2 374.404 2.785 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000065964669 506403080 /nfs/dbraw/zinc/40/30/80/506403080.db2.gz LQBUSDABOWSCQP-UHFFFAOYSA-N 1 2 374.510 2.719 20 30 FFEDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000369204991 512282384 /nfs/dbraw/zinc/28/23/84/512282384.db2.gz HPDJYKBXPLTCFK-INIZCTEOSA-N 1 2 364.449 2.975 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1csc(Br)c1 ZINC000066472731 506528056 /nfs/dbraw/zinc/52/80/56/506528056.db2.gz HVBMLMWPERELIG-NSHDSACASA-N 1 2 358.305 2.951 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1csc(Br)c1 ZINC000066472731 506528062 /nfs/dbraw/zinc/52/80/62/506528062.db2.gz HVBMLMWPERELIG-NSHDSACASA-N 1 2 358.305 2.951 20 30 FFEDLO C=CC[N@@H+](Cc1cc(=O)oc2cc(CC)ccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000066560410 506552745 /nfs/dbraw/zinc/55/27/45/506552745.db2.gz UXKVNXLSZKCKPB-MRXNPFEDSA-N 1 2 361.463 2.531 20 30 FFEDLO C=CC[N@H+](Cc1cc(=O)oc2cc(CC)ccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000066560410 506552752 /nfs/dbraw/zinc/55/27/52/506552752.db2.gz UXKVNXLSZKCKPB-MRXNPFEDSA-N 1 2 361.463 2.531 20 30 FFEDLO C=CC[N@@H+](Cc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000066559543 506553111 /nfs/dbraw/zinc/55/31/11/506553111.db2.gz QFDCAWBOZFWLQU-CQSZACIVSA-N 1 2 371.886 2.676 20 30 FFEDLO C=CC[N@H+](Cc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000066559543 506553116 /nfs/dbraw/zinc/55/31/16/506553116.db2.gz QFDCAWBOZFWLQU-CQSZACIVSA-N 1 2 371.886 2.676 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000066606911 506573905 /nfs/dbraw/zinc/57/39/05/506573905.db2.gz GXPSWXHXOVCXEI-LAUBAEHRSA-N 1 2 374.504 2.776 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000066606911 506573911 /nfs/dbraw/zinc/57/39/11/506573911.db2.gz GXPSWXHXOVCXEI-LAUBAEHRSA-N 1 2 374.504 2.776 20 30 FFEDLO CCOc1cc2c(cc1OCC)C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC2 ZINC000007873301 506597858 /nfs/dbraw/zinc/59/78/58/506597858.db2.gz PLULDBJUFLOJAP-OAQYLSRUSA-N 1 2 371.481 2.651 20 30 FFEDLO CCOc1cc2c(cc1OCC)C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC2 ZINC000007873301 506597865 /nfs/dbraw/zinc/59/78/65/506597865.db2.gz PLULDBJUFLOJAP-OAQYLSRUSA-N 1 2 371.481 2.651 20 30 FFEDLO Cc1oc(NC(=O)[C@H](C)N2CC[NH+](Cc3ccco3)CC2)c(C#N)c1C ZINC000042540031 506634561 /nfs/dbraw/zinc/63/45/61/506634561.db2.gz VAYDRNXGZXJAFG-AWEZNQCLSA-N 1 2 356.426 2.506 20 30 FFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000042798697 506668527 /nfs/dbraw/zinc/66/85/27/506668527.db2.gz PDZRWCHWLJJSCU-GFCCVEGCSA-N 1 2 354.797 2.943 20 30 FFEDLO COc1cc(C#N)ccc1OCC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000042801175 506670612 /nfs/dbraw/zinc/67/06/12/506670612.db2.gz LOPAHLZXMKIVOK-UHFFFAOYSA-N 1 2 370.796 2.563 20 30 FFEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000410563609 512294263 /nfs/dbraw/zinc/29/42/63/512294263.db2.gz QTXDIBKIPHUIPX-IEBWSBKVSA-N 1 2 372.513 2.888 20 30 FFEDLO C=C(C)CN(CC)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000045409394 506962807 /nfs/dbraw/zinc/96/28/07/506962807.db2.gz LQDOHNZCDZOYND-UHFFFAOYSA-N 1 2 358.486 2.697 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000067715253 506988067 /nfs/dbraw/zinc/98/80/67/506988067.db2.gz VSRGGQHXMRKYKQ-UHFFFAOYSA-N 1 2 357.417 2.741 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000067715253 506988072 /nfs/dbraw/zinc/98/80/72/506988072.db2.gz VSRGGQHXMRKYKQ-UHFFFAOYSA-N 1 2 357.417 2.741 20 30 FFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000014788005 506999990 /nfs/dbraw/zinc/99/99/90/506999990.db2.gz KWSOLWOXZNCEBH-GOSISDBHSA-N 1 2 363.465 2.539 20 30 FFEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000056802123 507096846 /nfs/dbraw/zinc/09/68/46/507096846.db2.gz XMGZCNSCHOEUAB-UHFFFAOYSA-N 1 2 354.410 2.900 20 30 FFEDLO C[C@H](C#N)CN(C)C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000046205349 507097957 /nfs/dbraw/zinc/09/79/57/507097957.db2.gz NTJDEISPUPAXBY-MRXNPFEDSA-N 1 2 363.465 2.945 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccccc3F)CC2)cc1 ZINC000017117495 507117314 /nfs/dbraw/zinc/11/73/14/507117314.db2.gz WOXMNDIGSVLFIA-UHFFFAOYSA-N 1 2 352.413 2.725 20 30 FFEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1Cl ZINC000047213424 507285561 /nfs/dbraw/zinc/28/55/61/507285561.db2.gz AQRKMZAIXDUKIF-KRWDZBQOSA-N 1 2 363.870 2.793 20 30 FFEDLO N#Cc1ccc(CN2CCC[N@@H+]([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1 ZINC000068803024 507329082 /nfs/dbraw/zinc/32/90/82/507329082.db2.gz GRQKAKUPBMETCF-QFIPXVFZSA-N 1 2 374.488 2.871 20 30 FFEDLO N#Cc1ccc(CN2CCC[N@H+]([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1 ZINC000068803024 507329085 /nfs/dbraw/zinc/32/90/85/507329085.db2.gz GRQKAKUPBMETCF-QFIPXVFZSA-N 1 2 374.488 2.871 20 30 FFEDLO C[N@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1cccc(C#N)c1 ZINC000047701576 507381432 /nfs/dbraw/zinc/38/14/32/507381432.db2.gz OVMMYQARKXLAMP-UHFFFAOYSA-N 1 2 359.451 2.568 20 30 FFEDLO C[N@@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1cccc(C#N)c1 ZINC000047701576 507381437 /nfs/dbraw/zinc/38/14/37/507381437.db2.gz OVMMYQARKXLAMP-UHFFFAOYSA-N 1 2 359.451 2.568 20 30 FFEDLO CCc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000058890254 507477288 /nfs/dbraw/zinc/47/72/88/507477288.db2.gz RTMSVYPGDFWXIG-YWZLYKJASA-N 1 2 358.486 2.562 20 30 FFEDLO CCc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000058890254 507477294 /nfs/dbraw/zinc/47/72/94/507477294.db2.gz RTMSVYPGDFWXIG-YWZLYKJASA-N 1 2 358.486 2.562 20 30 FFEDLO Cc1cccc(-c2noc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)n2)c1 ZINC000060480569 507550848 /nfs/dbraw/zinc/55/08/48/507550848.db2.gz WLKRKUFACVXSPX-UHFFFAOYSA-N 1 2 360.421 2.634 20 30 FFEDLO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)Cc2cccc(C#N)c2)c1C ZINC000026323740 507576351 /nfs/dbraw/zinc/57/63/51/507576351.db2.gz HAYCZKKNZJWKOG-UHFFFAOYSA-N 1 2 353.422 2.995 20 30 FFEDLO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c1C ZINC000026323740 507576356 /nfs/dbraw/zinc/57/63/56/507576356.db2.gz HAYCZKKNZJWKOG-UHFFFAOYSA-N 1 2 353.422 2.995 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C)Cc1ccccc1 ZINC000027776942 507684331 /nfs/dbraw/zinc/68/43/31/507684331.db2.gz UABHZBDHCLZUKU-UHFFFAOYSA-N 1 2 366.421 2.760 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C)Cc1ccccc1 ZINC000027776942 507684335 /nfs/dbraw/zinc/68/43/35/507684335.db2.gz UABHZBDHCLZUKU-UHFFFAOYSA-N 1 2 366.421 2.760 20 30 FFEDLO C=CC[N@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)Cc1cccc(C#N)c1 ZINC000063299828 507714427 /nfs/dbraw/zinc/71/44/27/507714427.db2.gz YSGJFGMZBRZYFH-HXUWFJFHSA-N 1 2 361.445 2.666 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)Cc1cccc(C#N)c1 ZINC000063299828 507714435 /nfs/dbraw/zinc/71/44/35/507714435.db2.gz YSGJFGMZBRZYFH-HXUWFJFHSA-N 1 2 361.445 2.666 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000051053064 507730883 /nfs/dbraw/zinc/73/08/83/507730883.db2.gz MYMJYISMAXTYAP-DZGCQCFKSA-N 1 2 362.499 2.575 20 30 FFEDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000051053064 507730888 /nfs/dbraw/zinc/73/08/88/507730888.db2.gz MYMJYISMAXTYAP-DZGCQCFKSA-N 1 2 362.499 2.575 20 30 FFEDLO C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000051180026 507747076 /nfs/dbraw/zinc/74/70/76/507747076.db2.gz XWAIZDAHMWOCQE-MRXNPFEDSA-N 1 2 366.440 2.871 20 30 FFEDLO N#Cc1ccccc1OCc1ccc(C(=O)NCCNc2cccc[nH+]2)o1 ZINC000063704200 507761843 /nfs/dbraw/zinc/76/18/43/507761843.db2.gz ITDJEUSPXGUWFT-UHFFFAOYSA-N 1 2 362.389 2.967 20 30 FFEDLO COCC[N@H+](CC(=O)N1CCCc2ccccc21)Cc1ccc(C#N)cc1 ZINC000063754388 507768318 /nfs/dbraw/zinc/76/83/18/507768318.db2.gz KCYSFAPTWOMANR-UHFFFAOYSA-N 1 2 363.461 2.986 20 30 FFEDLO COCC[N@@H+](CC(=O)N1CCCc2ccccc21)Cc1ccc(C#N)cc1 ZINC000063754388 507768321 /nfs/dbraw/zinc/76/83/21/507768321.db2.gz KCYSFAPTWOMANR-UHFFFAOYSA-N 1 2 363.461 2.986 20 30 FFEDLO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029858106 507793606 /nfs/dbraw/zinc/79/36/06/507793606.db2.gz QLAOFHFSFMKKQY-FQEVSTJZSA-N 1 2 366.440 2.649 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)c3sccc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000052031038 507794524 /nfs/dbraw/zinc/79/45/24/507794524.db2.gz DEPFMIWMADMCPL-STQMWFEESA-N 1 2 356.451 2.558 20 30 FFEDLO C[C@@H](CNC(=O)c1sccc1C#N)[NH+]1CCN(c2ccccc2)CC1 ZINC000052035131 507795253 /nfs/dbraw/zinc/79/52/53/507795253.db2.gz HFACARSLZUKVSB-HNNXBMFYSA-N 1 2 354.479 2.560 20 30 FFEDLO CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000052640903 507816708 /nfs/dbraw/zinc/81/67/08/507816708.db2.gz PUIGTDYTRWICCQ-INIZCTEOSA-N 1 2 360.477 2.712 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000072562290 507825127 /nfs/dbraw/zinc/82/51/27/507825127.db2.gz YWPXUGAOBCXTAQ-ULQDDVLXSA-N 1 2 366.421 2.914 20 30 FFEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000072562290 507825132 /nfs/dbraw/zinc/82/51/32/507825132.db2.gz YWPXUGAOBCXTAQ-ULQDDVLXSA-N 1 2 366.421 2.914 20 30 FFEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)Nc2ccc(C)cc2F)cs1 ZINC000072920082 507873447 /nfs/dbraw/zinc/87/34/47/507873447.db2.gz FZYMGMDVATVHJJ-JTQLQIEISA-N 1 2 350.419 2.758 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2OCC)CC1 ZINC000078606113 507888631 /nfs/dbraw/zinc/88/86/31/507888631.db2.gz XKZZMPNPFKINBN-GOSISDBHSA-N 1 2 357.498 2.796 20 30 FFEDLO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078616254 507889799 /nfs/dbraw/zinc/88/97/99/507889799.db2.gz MBYCGSDDEFJCSF-LEWJYISDSA-N 1 2 362.477 2.698 20 30 FFEDLO C=CC[N@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)Cc1ccccc1F ZINC000108405941 507893642 /nfs/dbraw/zinc/89/36/42/507893642.db2.gz LHAORQXNJLBHOB-QGZVFWFLSA-N 1 2 370.424 2.770 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)Cc1ccccc1F ZINC000108405941 507893643 /nfs/dbraw/zinc/89/36/43/507893643.db2.gz LHAORQXNJLBHOB-QGZVFWFLSA-N 1 2 370.424 2.770 20 30 FFEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108767 507894843 /nfs/dbraw/zinc/89/48/43/507894843.db2.gz OEZXMJKKQAZIFP-QGZVFWFLSA-N 1 2 363.465 2.719 20 30 FFEDLO CC(C)Cc1ncc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)s1 ZINC000091936923 508026332 /nfs/dbraw/zinc/02/63/32/508026332.db2.gz PFUOZFPTYQEWCK-AWEZNQCLSA-N 1 2 356.499 2.714 20 30 FFEDLO CC(C)Cc1ncc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)s1 ZINC000091936923 508026333 /nfs/dbraw/zinc/02/63/33/508026333.db2.gz PFUOZFPTYQEWCK-AWEZNQCLSA-N 1 2 356.499 2.714 20 30 FFEDLO N#Cc1ccc2ncc(C[N@H+]3CCCN(C(=O)c4ccsc4)CC3)n2c1 ZINC000092149142 508046631 /nfs/dbraw/zinc/04/66/31/508046631.db2.gz QXFSPXZEOWEPBW-UHFFFAOYSA-N 1 2 365.462 2.616 20 30 FFEDLO N#Cc1ccc2ncc(C[N@@H+]3CCCN(C(=O)c4ccsc4)CC3)n2c1 ZINC000092149142 508046633 /nfs/dbraw/zinc/04/66/33/508046633.db2.gz QXFSPXZEOWEPBW-UHFFFAOYSA-N 1 2 365.462 2.616 20 30 FFEDLO C=CC[N@@H+](Cc1cc(Cl)c(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092360959 508064045 /nfs/dbraw/zinc/06/40/45/508064045.db2.gz IFDMBOHBKUSSKL-CQSZACIVSA-N 1 2 373.902 2.922 20 30 FFEDLO C=CC[N@H+](Cc1cc(Cl)c(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092360959 508064048 /nfs/dbraw/zinc/06/40/48/508064048.db2.gz IFDMBOHBKUSSKL-CQSZACIVSA-N 1 2 373.902 2.922 20 30 FFEDLO C=CC[N@@H+](Cc1cc(C)c(Br)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361301 508064487 /nfs/dbraw/zinc/06/44/87/508064487.db2.gz SDLKODPXPNPWJJ-LLVKDONJSA-N 1 2 364.330 2.994 20 30 FFEDLO C=CC[N@H+](Cc1cc(C)c(Br)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361301 508064488 /nfs/dbraw/zinc/06/44/88/508064488.db2.gz SDLKODPXPNPWJJ-LLVKDONJSA-N 1 2 364.330 2.994 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC([C@H](C)O)CC1 ZINC000111285126 508086185 /nfs/dbraw/zinc/08/61/85/508086185.db2.gz IRFSBVFKPHKYRR-CABCVRRESA-N 1 2 361.511 2.970 20 30 FFEDLO COC(=O)c1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c(C)o1 ZINC000080905890 508110354 /nfs/dbraw/zinc/11/03/54/508110354.db2.gz SHNNOTQKBZRECC-GOSISDBHSA-N 1 2 353.422 2.757 20 30 FFEDLO COc1cc(C[N@@H+](CCC#N)CC(C)(C)C)cc(Cl)c1OCC(N)=O ZINC000093101149 508121264 /nfs/dbraw/zinc/12/12/64/508121264.db2.gz DPPWICAQSJGZLT-UHFFFAOYSA-N 1 2 367.877 2.974 20 30 FFEDLO COc1cc(C[N@H+](CCC#N)CC(C)(C)C)cc(Cl)c1OCC(N)=O ZINC000093101149 508121262 /nfs/dbraw/zinc/12/12/62/508121262.db2.gz DPPWICAQSJGZLT-UHFFFAOYSA-N 1 2 367.877 2.974 20 30 FFEDLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@H+](CCC#N)CC2CC2)c1 ZINC000081044652 508129367 /nfs/dbraw/zinc/12/93/67/508129367.db2.gz ROTCPJBHGZKTBU-IBGZPJMESA-N 1 2 371.481 2.993 20 30 FFEDLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@@H+](CCC#N)CC2CC2)c1 ZINC000081044652 508129370 /nfs/dbraw/zinc/12/93/70/508129370.db2.gz ROTCPJBHGZKTBU-IBGZPJMESA-N 1 2 371.481 2.993 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076182738 508166931 /nfs/dbraw/zinc/16/69/31/508166931.db2.gz YHGPTZKZHUARCL-UMNHJUIQSA-N 1 2 359.314 2.713 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076182738 508166934 /nfs/dbraw/zinc/16/69/34/508166934.db2.gz YHGPTZKZHUARCL-UMNHJUIQSA-N 1 2 359.314 2.713 20 30 FFEDLO C=CC[N@@H+](CC(=O)N1CCC[C@@H](NC(C)=O)C1)Cc1ccc(Cl)s1 ZINC000076606425 508230443 /nfs/dbraw/zinc/23/04/43/508230443.db2.gz UEVOHZYZEUOGLB-CQSZACIVSA-N 1 2 369.918 2.517 20 30 FFEDLO C=CC[N@H+](CC(=O)N1CCC[C@@H](NC(C)=O)C1)Cc1ccc(Cl)s1 ZINC000076606425 508230446 /nfs/dbraw/zinc/23/04/46/508230446.db2.gz UEVOHZYZEUOGLB-CQSZACIVSA-N 1 2 369.918 2.517 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101558374 508246019 /nfs/dbraw/zinc/24/60/19/508246019.db2.gz ZTGBECONZGELSU-MRXNPFEDSA-N 1 2 358.461 2.632 20 30 FFEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N[C@H](C)c3cccc(C#N)c3)ccc2n1C ZINC000076723923 508247266 /nfs/dbraw/zinc/24/72/66/508247266.db2.gz CJHBLZXIFJHBPW-GFCCVEGCSA-N 1 2 361.405 2.569 20 30 FFEDLO N#Cc1nnc2ccccc2c1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000077487855 508322609 /nfs/dbraw/zinc/32/26/09/508322609.db2.gz FNVHAJBBLYOHLH-HXUWFJFHSA-N 1 2 359.433 2.987 20 30 FFEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000104667856 508341138 /nfs/dbraw/zinc/34/11/38/508341138.db2.gz CDTQOGYSBGNVBK-INIZCTEOSA-N 1 2 358.239 2.979 20 30 FFEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000104667856 508341139 /nfs/dbraw/zinc/34/11/39/508341139.db2.gz CDTQOGYSBGNVBK-INIZCTEOSA-N 1 2 358.239 2.979 20 30 FFEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000104715295 508342478 /nfs/dbraw/zinc/34/24/78/508342478.db2.gz DFRDVEMYGQGCMV-UHFFFAOYSA-N 1 2 360.417 2.912 20 30 FFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106583105 508402861 /nfs/dbraw/zinc/40/28/61/508402861.db2.gz OZEBYHCUDLCZIU-CQSZACIVSA-N 1 2 370.950 2.735 20 30 FFEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000106726935 508404027 /nfs/dbraw/zinc/40/40/27/508404027.db2.gz FGHRPUMQFCAHSP-UHFFFAOYSA-N 1 2 369.396 2.552 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2OC)CC1 ZINC000115551517 508407723 /nfs/dbraw/zinc/40/77/23/508407723.db2.gz QFKYWEZIMDPPAF-INIZCTEOSA-N 1 2 361.461 2.545 20 30 FFEDLO C=C(Br)C[NH2+][C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000127215234 508415615 /nfs/dbraw/zinc/41/56/15/508415615.db2.gz JSCSXUMBWNRIRH-LBPRGKRZSA-N 1 2 351.166 2.904 20 30 FFEDLO CCOc1ccc([C@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115596745 508415321 /nfs/dbraw/zinc/41/53/21/508415321.db2.gz CJBPRHCRYDYTKY-DJJJIMSYSA-N 1 2 353.422 2.843 20 30 FFEDLO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115597275 508416746 /nfs/dbraw/zinc/41/67/46/508416746.db2.gz YNYOIXVGLHFKHD-IFXJQAMLSA-N 1 2 364.449 2.859 20 30 FFEDLO COc1ccc(OC)c(C[NH+]2CCN(c3nc(C)ccc3C#N)CC2)c1 ZINC000127672223 508484081 /nfs/dbraw/zinc/48/40/81/508484081.db2.gz BWQVQKGIVADLFF-UHFFFAOYSA-N 1 2 352.438 2.601 20 30 FFEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(Oc2ccccc2Cl)CC1)C1CC1 ZINC000157345111 508555183 /nfs/dbraw/zinc/55/51/83/508555183.db2.gz WEAIEUAKMROTSF-LJQANCHMSA-N 1 2 361.873 2.992 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153398072 508579006 /nfs/dbraw/zinc/57/90/06/508579006.db2.gz FXJJKOOMVPQCML-AWEZNQCLSA-N 1 2 356.426 2.684 20 30 FFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153398072 508579012 /nfs/dbraw/zinc/57/90/12/508579012.db2.gz FXJJKOOMVPQCML-AWEZNQCLSA-N 1 2 356.426 2.684 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117354125 508594715 /nfs/dbraw/zinc/59/47/15/508594715.db2.gz LBQFTUUFUQCDFU-SNVBAGLBSA-N 1 2 359.314 2.811 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117354125 508594716 /nfs/dbraw/zinc/59/47/16/508594716.db2.gz LBQFTUUFUQCDFU-SNVBAGLBSA-N 1 2 359.314 2.811 20 30 FFEDLO CCOc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)ccc1OC ZINC000122929414 508608786 /nfs/dbraw/zinc/60/87/86/508608786.db2.gz NDOUVIMXVLPYGS-UHFFFAOYSA-N 1 2 352.438 2.683 20 30 FFEDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000135586403 508627707 /nfs/dbraw/zinc/62/77/07/508627707.db2.gz KJLGBVFLFKPZFI-MRXNPFEDSA-N 1 2 369.494 2.984 20 30 FFEDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000135586403 508627709 /nfs/dbraw/zinc/62/77/09/508627709.db2.gz KJLGBVFLFKPZFI-MRXNPFEDSA-N 1 2 369.494 2.984 20 30 FFEDLO C=CCCCCCN(C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000153901734 508672960 /nfs/dbraw/zinc/67/29/60/508672960.db2.gz BNNKHVQBPIGEBV-SFHVURJKSA-N 1 2 355.548 2.582 20 30 FFEDLO N#Cc1ccc(OC2C[NH+](C[C@@H](O)COc3ccccc3Cl)C2)cc1 ZINC000158585412 508725281 /nfs/dbraw/zinc/72/52/81/508725281.db2.gz ATTUMLJJHRIFRA-OAHLLOKOSA-N 1 2 358.825 2.715 20 30 FFEDLO N#Cc1ccc(C(=O)NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)[nH]1 ZINC000158894475 508765087 /nfs/dbraw/zinc/76/50/87/508765087.db2.gz SYIDEFXWYJMOIG-UHFFFAOYSA-N 1 2 357.417 2.774 20 30 FFEDLO N#CCCn1ccc(NC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000129880431 508776582 /nfs/dbraw/zinc/77/65/82/508776582.db2.gz DFHFJOWXDQENEX-UHFFFAOYSA-N 1 2 372.860 2.800 20 30 FFEDLO C=CCCOCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000124059117 508777754 /nfs/dbraw/zinc/77/77/54/508777754.db2.gz HBGFVKAHJNSGNB-OAHLLOKOSA-N 1 2 367.440 2.821 20 30 FFEDLO C=CCCOCCNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000124059117 508777758 /nfs/dbraw/zinc/77/77/58/508777758.db2.gz HBGFVKAHJNSGNB-OAHLLOKOSA-N 1 2 367.440 2.821 20 30 FFEDLO N#Cc1cccc(OCC[N@H+]2CCOC[C@@H]2CC(=O)c2ccccc2)c1 ZINC000119357693 508780045 /nfs/dbraw/zinc/78/00/45/508780045.db2.gz VRGJHYPPJNJFRQ-IBGZPJMESA-N 1 2 350.418 2.911 20 30 FFEDLO N#Cc1cccc(OCC[N@@H+]2CCOC[C@@H]2CC(=O)c2ccccc2)c1 ZINC000119357693 508780047 /nfs/dbraw/zinc/78/00/47/508780047.db2.gz VRGJHYPPJNJFRQ-IBGZPJMESA-N 1 2 350.418 2.911 20 30 FFEDLO C[C@H]1CC(=O)CC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000159328076 508825755 /nfs/dbraw/zinc/82/57/55/508825755.db2.gz NFHQVEIMEBVMTB-JXFKEZNVSA-N 1 2 353.466 2.598 20 30 FFEDLO C[C@H]1CC(=O)CC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000159328076 508825759 /nfs/dbraw/zinc/82/57/59/508825759.db2.gz NFHQVEIMEBVMTB-JXFKEZNVSA-N 1 2 353.466 2.598 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000124431722 508830612 /nfs/dbraw/zinc/83/06/12/508830612.db2.gz DHWLWTFBYJWPTI-UHFFFAOYSA-N 1 2 354.454 2.750 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000124440586 508832805 /nfs/dbraw/zinc/83/28/05/508832805.db2.gz ODELTXDYVIVMBY-OAHLLOKOSA-N 1 2 373.526 2.626 20 30 FFEDLO Cc1cc[nH+]c(N2CCN(CC(=O)Nc3cc(Cl)ccc3C#N)CC2)c1 ZINC000119984031 508904083 /nfs/dbraw/zinc/90/40/83/508904083.db2.gz KTFVFDHNZZLJCZ-UHFFFAOYSA-N 1 2 369.856 2.676 20 30 FFEDLO Cc1cc[nH+]c(N2CCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000119995930 508906972 /nfs/dbraw/zinc/90/69/72/508906972.db2.gz DUISKZLVIXSMPE-UHFFFAOYSA-N 1 2 369.856 2.676 20 30 FFEDLO COc1ccc(CNc2ccc(N3CCC(CO)CC3)c[nH+]2)cc1C#N ZINC000150927713 508923873 /nfs/dbraw/zinc/92/38/73/508923873.db2.gz SNFATUFSIWUMTL-UHFFFAOYSA-N 1 2 352.438 2.783 20 30 FFEDLO N#CCN(CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)C1CCCC1 ZINC000151121366 508961462 /nfs/dbraw/zinc/96/14/62/508961462.db2.gz DWVNFCUCWROKRS-UHFFFAOYSA-N 1 2 374.916 2.752 20 30 FFEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(Cc3cc(F)ccc3C#N)CC2)C1 ZINC000160301366 508967244 /nfs/dbraw/zinc/96/72/44/508967244.db2.gz UKZZYSDVSGODIJ-OXQOHEQNSA-N 1 2 372.488 2.510 20 30 FFEDLO C[C@H](c1ccc(C#N)cc1)n1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000369478599 512429500 /nfs/dbraw/zinc/42/95/00/512429500.db2.gz KRSQDRXPAWEEBK-OXQOHEQNSA-N 1 2 374.448 2.728 20 30 FFEDLO C[C@H](c1ccc(C#N)cc1)n1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000369478599 512429507 /nfs/dbraw/zinc/42/95/07/512429507.db2.gz KRSQDRXPAWEEBK-OXQOHEQNSA-N 1 2 374.448 2.728 20 30 FFEDLO N#CCC[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000160491869 508995051 /nfs/dbraw/zinc/99/50/51/508995051.db2.gz RLYKOLDZJKZXBU-RTBURBONSA-N 1 2 356.470 2.538 20 30 FFEDLO CC(C)[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000120747881 509057923 /nfs/dbraw/zinc/05/79/23/509057923.db2.gz BWGHAIDRBGSZND-AWEZNQCLSA-N 1 2 356.817 2.847 20 30 FFEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000133086975 509114487 /nfs/dbraw/zinc/11/44/87/509114487.db2.gz HFOJCCUPIDNQCG-INIZCTEOSA-N 1 2 358.239 2.979 20 30 FFEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000133086975 509114491 /nfs/dbraw/zinc/11/44/91/509114491.db2.gz HFOJCCUPIDNQCG-INIZCTEOSA-N 1 2 358.239 2.979 20 30 FFEDLO C[C@H](C1CC1)N(C(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1)C1CC1 ZINC000121384205 509170978 /nfs/dbraw/zinc/17/09/78/509170978.db2.gz PRICAINORQFDOL-UTKZUKDTSA-N 1 2 366.509 2.658 20 30 FFEDLO C=CCOc1c(Br)cc(C[NH+]2CCC(O)CC2)cc1OC ZINC000162256810 509183043 /nfs/dbraw/zinc/18/30/43/509183043.db2.gz OVGMUEOUSCLVKZ-UHFFFAOYSA-N 1 2 356.260 2.979 20 30 FFEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000178920028 509183077 /nfs/dbraw/zinc/18/30/77/509183077.db2.gz SCEKSSJTDSKHKU-UHFFFAOYSA-N 1 2 355.463 2.976 20 30 FFEDLO COc1ccc(C#N)cc1C[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000178920028 509183080 /nfs/dbraw/zinc/18/30/80/509183080.db2.gz SCEKSSJTDSKHKU-UHFFFAOYSA-N 1 2 355.463 2.976 20 30 FFEDLO Cn1cc(CN2CC[NH+](Cc3cccnc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000182371166 509199554 /nfs/dbraw/zinc/19/95/54/509199554.db2.gz IILFKMHQERKUIX-UHFFFAOYSA-N 1 2 372.476 2.672 20 30 FFEDLO N#Cc1ccccc1OCC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000188778018 509258266 /nfs/dbraw/zinc/25/82/66/509258266.db2.gz KBXRMZQGPYKCRW-UHFFFAOYSA-N 1 2 369.852 2.765 20 30 FFEDLO N#Cc1ccccc1OCC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000188778018 509258273 /nfs/dbraw/zinc/25/82/73/509258273.db2.gz KBXRMZQGPYKCRW-UHFFFAOYSA-N 1 2 369.852 2.765 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc2c1CCCC2 ZINC000266990839 509295689 /nfs/dbraw/zinc/29/56/89/509295689.db2.gz XSXMLRCMJAAHGP-UHFFFAOYSA-N 1 2 356.470 2.645 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+](Cc3nnnn3-c3ccccc3)CC2)cc1 ZINC000264160460 509355976 /nfs/dbraw/zinc/35/59/76/509355976.db2.gz VXMKGAPECONMDE-UHFFFAOYSA-N 1 2 360.421 2.577 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(OC3CCCC3)CC2)cc1 ZINC000176222424 509388250 /nfs/dbraw/zinc/38/82/50/509388250.db2.gz FMXIVGDICAOVOY-UHFFFAOYSA-N 1 2 362.495 2.756 20 30 FFEDLO COc1cc(C)c([C@@H](C)NC(=O)C[N@H+](CCC#N)CC2CC2)cc1OC ZINC000176253446 509404209 /nfs/dbraw/zinc/40/42/09/509404209.db2.gz OHQVHOWNMBZJBZ-OAHLLOKOSA-N 1 2 359.470 2.815 20 30 FFEDLO COc1cc(C)c([C@@H](C)NC(=O)C[N@@H+](CCC#N)CC2CC2)cc1OC ZINC000176253446 509404216 /nfs/dbraw/zinc/40/42/16/509404216.db2.gz OHQVHOWNMBZJBZ-OAHLLOKOSA-N 1 2 359.470 2.815 20 30 FFEDLO C=CC[N@@H+](CCOc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000264569777 509605463 /nfs/dbraw/zinc/60/54/63/509605463.db2.gz QVYKHTNRUYDRQK-CQSZACIVSA-N 1 2 374.300 2.503 20 30 FFEDLO C=CC[N@H+](CCOc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000264569777 509605472 /nfs/dbraw/zinc/60/54/72/509605472.db2.gz QVYKHTNRUYDRQK-CQSZACIVSA-N 1 2 374.300 2.503 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000186281603 509621181 /nfs/dbraw/zinc/62/11/81/509621181.db2.gz DBXYGRJQQWTXQJ-GOSISDBHSA-N 1 2 362.477 2.553 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000186288845 509624525 /nfs/dbraw/zinc/62/45/25/509624525.db2.gz PRXJUJZTBBDKSA-QZTJIDSGSA-N 1 2 354.498 2.638 20 30 FFEDLO C[C@H](c1cccc(C#N)c1)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000186288845 509624530 /nfs/dbraw/zinc/62/45/30/509624530.db2.gz PRXJUJZTBBDKSA-QZTJIDSGSA-N 1 2 354.498 2.638 20 30 FFEDLO CC(C)[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1nc(C2CC2)no1 ZINC000179840528 509645242 /nfs/dbraw/zinc/64/52/42/509645242.db2.gz XEPXPAQNFPVKKQ-MRXNPFEDSA-N 1 2 359.474 2.919 20 30 FFEDLO C#CCCCCC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000179876266 509657186 /nfs/dbraw/zinc/65/71/86/509657186.db2.gz VYIIBCCCPKRHCG-UHFFFAOYSA-N 1 2 358.873 2.826 20 30 FFEDLO C=CCOc1ccc(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)cc1OC ZINC000267910680 509665654 /nfs/dbraw/zinc/66/56/54/509665654.db2.gz DFKDTUVNKRFHTC-INIZCTEOSA-N 1 2 359.447 2.878 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(OC(F)F)c1 ZINC000179986191 509700468 /nfs/dbraw/zinc/70/04/68/509700468.db2.gz JEJBNMGSXKPYSF-UHFFFAOYSA-N 1 2 374.391 2.885 20 30 FFEDLO Cc1ncc(/C=C/C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000264782746 509702009 /nfs/dbraw/zinc/70/20/09/509702009.db2.gz PSMWKMGATZZVMQ-VOTSOKGWSA-N 1 2 352.463 2.681 20 30 FFEDLO C=CCN(CCOC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000189716022 509717562 /nfs/dbraw/zinc/71/75/62/509717562.db2.gz KYNQGBLUNXJZHA-SJORKVTESA-N 1 2 353.413 2.554 20 30 FFEDLO C=CCN(CCOC)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000189716022 509717567 /nfs/dbraw/zinc/71/75/67/509717567.db2.gz KYNQGBLUNXJZHA-SJORKVTESA-N 1 2 353.413 2.554 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249716332 509742746 /nfs/dbraw/zinc/74/27/46/509742746.db2.gz IPWRXSGVCVMLQW-NVXWUHKLSA-N 1 2 370.280 2.645 20 30 FFEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249716332 509742750 /nfs/dbraw/zinc/74/27/50/509742750.db2.gz IPWRXSGVCVMLQW-NVXWUHKLSA-N 1 2 370.280 2.645 20 30 FFEDLO C#CCOc1ccc(F)cc1NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000173784352 509776197 /nfs/dbraw/zinc/77/61/97/509776197.db2.gz LGZJYVXGUAPZAP-UHFFFAOYSA-N 1 2 365.368 2.740 20 30 FFEDLO CC(C)(O)C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000180236435 509828130 /nfs/dbraw/zinc/82/81/30/509828130.db2.gz LRISCBAMOFTCSU-UHFFFAOYSA-N 1 2 372.490 2.605 20 30 FFEDLO CC(C)(O)C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000180236435 509828133 /nfs/dbraw/zinc/82/81/33/509828133.db2.gz LRISCBAMOFTCSU-UHFFFAOYSA-N 1 2 372.490 2.605 20 30 FFEDLO COc1ccc([C@H](NC(=O)c2ccc(C#N)c(O)c2)c2[nH+]ccn2C)cc1 ZINC000190008273 509882961 /nfs/dbraw/zinc/88/29/61/509882961.db2.gz IAMXFYRJGGGJSV-SFHVURJKSA-N 1 2 362.389 2.525 20 30 FFEDLO Cc1noc(C2CC[NH+](CC(=O)Nc3sc(C)c(C)c3C#N)CC2)n1 ZINC000177263124 509967765 /nfs/dbraw/zinc/96/77/65/509967765.db2.gz MNLLVJDRQIRSTA-UHFFFAOYSA-N 1 2 359.455 2.746 20 30 FFEDLO Cc1nc(N2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)cc[nH+]1 ZINC000183913073 510035678 /nfs/dbraw/zinc/03/56/78/510035678.db2.gz DIPWEFOXQBJXFZ-UHFFFAOYSA-N 1 2 364.453 2.940 20 30 FFEDLO CCOc1cc2c(cc1OCC)C[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)CC2 ZINC000171381300 510119777 /nfs/dbraw/zinc/11/97/77/510119777.db2.gz DZBDWGQPLBWEBC-INIZCTEOSA-N 1 2 373.497 2.850 20 30 FFEDLO CCOc1cc2c(cc1OCC)C[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)CC2 ZINC000171381300 510119785 /nfs/dbraw/zinc/11/97/85/510119785.db2.gz DZBDWGQPLBWEBC-INIZCTEOSA-N 1 2 373.497 2.850 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245789466 510145014 /nfs/dbraw/zinc/14/50/14/510145014.db2.gz WXRWLMHVGSYVTK-XJKSGUPXSA-N 1 2 364.453 2.760 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245789466 510145021 /nfs/dbraw/zinc/14/50/21/510145021.db2.gz WXRWLMHVGSYVTK-XJKSGUPXSA-N 1 2 364.453 2.760 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245789466 510145029 /nfs/dbraw/zinc/14/50/29/510145029.db2.gz WXRWLMHVGSYVTK-XJKSGUPXSA-N 1 2 364.453 2.760 20 30 FFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245789466 510145037 /nfs/dbraw/zinc/14/50/37/510145037.db2.gz WXRWLMHVGSYVTK-XJKSGUPXSA-N 1 2 364.453 2.760 20 30 FFEDLO N#Cc1ccc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cc1O ZINC000190675843 510278192 /nfs/dbraw/zinc/27/81/92/510278192.db2.gz KUYLBANHDVDVSU-UHFFFAOYSA-N 1 2 350.422 2.969 20 30 FFEDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000171654896 510286608 /nfs/dbraw/zinc/28/66/08/510286608.db2.gz YXAFKDFDYOASMU-MRXNPFEDSA-N 1 2 369.469 2.586 20 30 FFEDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000171654896 510286618 /nfs/dbraw/zinc/28/66/18/510286618.db2.gz YXAFKDFDYOASMU-MRXNPFEDSA-N 1 2 369.469 2.586 20 30 FFEDLO C=C(C)COc1cccc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178034626 510390876 /nfs/dbraw/zinc/39/08/76/510390876.db2.gz UQMJRUPVFVCLBU-UHFFFAOYSA-N 1 2 364.405 2.544 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000246288091 510407248 /nfs/dbraw/zinc/40/72/48/510407248.db2.gz BPEPWJOKNLBSLX-SJLPKXTDSA-N 1 2 360.479 2.685 20 30 FFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000246288091 510407253 /nfs/dbraw/zinc/40/72/53/510407253.db2.gz BPEPWJOKNLBSLX-SJLPKXTDSA-N 1 2 360.479 2.685 20 30 FFEDLO CCCCNC(=O)[C@H](C)O[NH+]=C(N)c1cccc(OCc2cccnc2)c1 ZINC000178155887 510461892 /nfs/dbraw/zinc/46/18/92/510461892.db2.gz FUMOWRBHCXCBHO-HNNXBMFYSA-N 1 2 370.453 2.602 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c(C#N)c1C ZINC000269679975 510510208 /nfs/dbraw/zinc/51/02/08/510510208.db2.gz ZMFBONSHMAWSLD-LLVKDONJSA-N 1 2 364.446 2.552 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c(C#N)c1C ZINC000269679975 510510215 /nfs/dbraw/zinc/51/02/15/510510215.db2.gz ZMFBONSHMAWSLD-LLVKDONJSA-N 1 2 364.446 2.552 20 30 FFEDLO Cc1nc(Cl)ccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000269707517 510520724 /nfs/dbraw/zinc/52/07/24/510520724.db2.gz OYIIKWUOBOFLOX-UHFFFAOYSA-N 1 2 354.841 2.873 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000269710181 510521346 /nfs/dbraw/zinc/52/13/46/510521346.db2.gz BPQOTEHOXFXFEH-UHFFFAOYSA-N 1 2 357.198 2.508 20 30 FFEDLO CCOC(=O)Nc1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1C#N ZINC000269828164 510563209 /nfs/dbraw/zinc/56/32/09/510563209.db2.gz KWUIAFMVBLOJGA-UHFFFAOYSA-N 1 2 356.386 2.535 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000188226855 510657104 /nfs/dbraw/zinc/65/71/04/510657104.db2.gz PJEHIHYMRKFOMF-FPOVZHCZSA-N 1 2 360.498 2.713 20 30 FFEDLO COC(C)(C)C[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000266557151 510658495 /nfs/dbraw/zinc/65/84/95/510658495.db2.gz MESCVHYIMUZKKM-INIZCTEOSA-N 1 2 358.486 2.589 20 30 FFEDLO C=CC[C@H](C(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1)c1ccccc1 ZINC000195190693 510708483 /nfs/dbraw/zinc/70/84/83/510708483.db2.gz FHIAOUVARUHFPV-FUHYEJFZSA-N 1 2 372.509 2.732 20 30 FFEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(Cc4nnc5n4CCC5)cc3)n2c1 ZINC000191649811 510772077 /nfs/dbraw/zinc/77/20/77/510772077.db2.gz BBSLWSROIYWKMT-UHFFFAOYSA-N 1 2 369.432 2.947 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCSC[C@@H]2C)c1C#N ZINC000172589401 510809237 /nfs/dbraw/zinc/80/92/37/510809237.db2.gz CQLVYTVUCHZWFT-ZDUSSCGKSA-N 1 2 372.494 2.994 20 30 FFEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCSC[C@@H]2C)c1C#N ZINC000172589401 510809245 /nfs/dbraw/zinc/80/92/45/510809245.db2.gz CQLVYTVUCHZWFT-ZDUSSCGKSA-N 1 2 372.494 2.994 20 30 FFEDLO N#Cc1ccccc1N1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000263726488 510812175 /nfs/dbraw/zinc/81/21/75/510812175.db2.gz PJSZIVMXCVZKOG-UHFFFAOYSA-N 1 2 353.397 2.886 20 30 FFEDLO CCN1CCN(CC(=O)Nc2sc(C)c(C)c2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329907801 510874414 /nfs/dbraw/zinc/87/44/14/510874414.db2.gz LDQAMRPLAXKLPJ-OAHLLOKOSA-N 1 2 372.498 2.927 20 30 FFEDLO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)NC[C@@H]1CCCCO1 ZINC000329930228 510879648 /nfs/dbraw/zinc/87/96/48/510879648.db2.gz ZKFJHSJHXZVQRU-KKUMJFAQSA-N 1 2 355.479 2.733 20 30 FFEDLO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)NC[C@@H]1CCCCO1 ZINC000329930228 510879655 /nfs/dbraw/zinc/87/96/55/510879655.db2.gz ZKFJHSJHXZVQRU-KKUMJFAQSA-N 1 2 355.479 2.733 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000285391060 510888823 /nfs/dbraw/zinc/88/88/23/510888823.db2.gz SLNWLOJZOHYMBJ-NQIIRXRSSA-N 1 2 371.481 2.512 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000285391060 510888827 /nfs/dbraw/zinc/88/88/27/510888827.db2.gz SLNWLOJZOHYMBJ-NQIIRXRSSA-N 1 2 371.481 2.512 20 30 FFEDLO CC(C)Oc1cccc(CNC(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000330083614 510912415 /nfs/dbraw/zinc/91/24/15/510912415.db2.gz BLJUIXMMWHROJN-JXFKEZNVSA-N 1 2 362.470 2.810 20 30 FFEDLO CC(C)Oc1cccc(CNC(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000330083614 510912420 /nfs/dbraw/zinc/91/24/20/510912420.db2.gz BLJUIXMMWHROJN-JXFKEZNVSA-N 1 2 362.470 2.810 20 30 FFEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330097436 510915594 /nfs/dbraw/zinc/91/55/94/510915594.db2.gz ASAJCDUUJUNNPN-SPYBWZPUSA-N 1 2 367.490 2.848 20 30 FFEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330097436 510915597 /nfs/dbraw/zinc/91/55/97/510915597.db2.gz ASAJCDUUJUNNPN-SPYBWZPUSA-N 1 2 367.490 2.848 20 30 FFEDLO O=C(NC[C@@H]1CCC2(CCCCC2)O1)N1CCN(c2cccc[nH+]2)CC1 ZINC000330117116 510919212 /nfs/dbraw/zinc/91/92/12/510919212.db2.gz WMKOBNGKYFXSEJ-KRWDZBQOSA-N 1 2 358.486 3.000 20 30 FFEDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000330181307 510931375 /nfs/dbraw/zinc/93/13/75/510931375.db2.gz GPFQBLDZYNNVQC-AWEZNQCLSA-N 1 2 361.421 2.702 20 30 FFEDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000330181307 510931378 /nfs/dbraw/zinc/93/13/78/510931378.db2.gz GPFQBLDZYNNVQC-AWEZNQCLSA-N 1 2 361.421 2.702 20 30 FFEDLO O=C(C[N@@H+]1CCS[C@@H]2COCC[C@H]21)Nc1ccc2c(c1)OCCCO2 ZINC000330189431 510933440 /nfs/dbraw/zinc/93/34/40/510933440.db2.gz VHBUNGOVSAJCQB-RHSMWYFYSA-N 1 2 364.467 2.642 20 30 FFEDLO O=C(C[N@H+]1CCS[C@@H]2COCC[C@H]21)Nc1ccc2c(c1)OCCCO2 ZINC000330189431 510933447 /nfs/dbraw/zinc/93/34/47/510933447.db2.gz VHBUNGOVSAJCQB-RHSMWYFYSA-N 1 2 364.467 2.642 20 30 FFEDLO Cc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1N1CCNC1=O ZINC000330212405 510939418 /nfs/dbraw/zinc/93/94/18/510939418.db2.gz KCQGVNWSLQLLQA-UHFFFAOYSA-N 1 2 368.441 2.877 20 30 FFEDLO CO[C@H](C)c1noc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000285554708 510954224 /nfs/dbraw/zinc/95/42/24/510954224.db2.gz RYGSAYBUZIRDMV-GFCCVEGCSA-N 1 2 360.389 2.831 20 30 FFEDLO CN(C)c1nc(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)cc(=O)[nH]1 ZINC000330307759 510961299 /nfs/dbraw/zinc/96/12/99/510961299.db2.gz SJYHFNHHVNEHPT-UHFFFAOYSA-N 1 2 366.425 2.961 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN2c2nccs2)CCO1 ZINC000330331305 510965936 /nfs/dbraw/zinc/96/59/36/510965936.db2.gz NZNWAMQJJZHJFR-IPYPFGDCSA-N 1 2 361.471 2.722 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCN1C ZINC000330332149 510966755 /nfs/dbraw/zinc/96/67/55/510966755.db2.gz OQPSRRWIVHZFMH-MLHJIOFPSA-N 1 2 359.518 2.982 20 30 FFEDLO CCN1CCN(C(=O)N[C@H](c2nc(C)cs2)C2CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330340370 510970303 /nfs/dbraw/zinc/97/03/03/510970303.db2.gz XVPYAHLTRVUACJ-GJZGRUSLSA-N 1 2 374.514 2.919 20 30 FFEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000330357502 510973278 /nfs/dbraw/zinc/97/32/78/510973278.db2.gz SWOYBCQLHZNCFL-MJEQTWJJSA-N 1 2 367.877 2.648 20 30 FFEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000330357502 510973281 /nfs/dbraw/zinc/97/32/81/510973281.db2.gz SWOYBCQLHZNCFL-MJEQTWJJSA-N 1 2 367.877 2.648 20 30 FFEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000330357502 510973285 /nfs/dbraw/zinc/97/32/85/510973285.db2.gz SWOYBCQLHZNCFL-MJEQTWJJSA-N 1 2 367.877 2.648 20 30 FFEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000330357502 510973290 /nfs/dbraw/zinc/97/32/90/510973290.db2.gz SWOYBCQLHZNCFL-MJEQTWJJSA-N 1 2 367.877 2.648 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C)CCC2 ZINC000330393727 510977123 /nfs/dbraw/zinc/97/71/23/510977123.db2.gz IGZAMLQGNYKWRL-CABCVRRESA-N 1 2 363.506 2.512 20 30 FFEDLO COc1cc(C(N)=[NH+]OCCO[C@@H]2CCCCO2)cc(Cl)c1OC ZINC000282491936 510998917 /nfs/dbraw/zinc/99/89/17/510998917.db2.gz UVMMIQHJQMZEJA-CQSZACIVSA-N 1 2 358.822 2.537 20 30 FFEDLO CC(=O)Nc1ccc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)c(Cl)c1 ZINC000330664346 511005990 /nfs/dbraw/zinc/00/59/90/511005990.db2.gz FTXZEBYNQFBWBJ-UHFFFAOYSA-N 1 2 368.865 2.735 20 30 FFEDLO CC(=O)Nc1ccc(NC(=O)NCC[N@H+]2CCOCC2(C)C)c(Cl)c1 ZINC000330664346 511005997 /nfs/dbraw/zinc/00/59/97/511005997.db2.gz FTXZEBYNQFBWBJ-UHFFFAOYSA-N 1 2 368.865 2.735 20 30 FFEDLO C=CCOc1ccc(C=CC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1OC ZINC000361279110 511026273 /nfs/dbraw/zinc/02/62/73/511026273.db2.gz UOKOHNXUIFKHIG-FUVBFXSKSA-N 1 2 353.422 2.670 20 30 FFEDLO C=CCOc1ccc(C=CC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1OC ZINC000361279110 511026276 /nfs/dbraw/zinc/02/62/76/511026276.db2.gz UOKOHNXUIFKHIG-FUVBFXSKSA-N 1 2 353.422 2.670 20 30 FFEDLO Cc1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(Cl)cc1F ZINC000287483576 511051033 /nfs/dbraw/zinc/05/10/33/511051033.db2.gz IZEHBAIHVWBUMQ-UHFFFAOYSA-N 1 2 368.840 2.867 20 30 FFEDLO COc1cc(C(=O)NC(C)(C)CCN2CC[NH+](C)CC2)cc(Cl)c1O ZINC000331285286 511057890 /nfs/dbraw/zinc/05/78/90/511057890.db2.gz SVRAZMIXPYGOBF-UHFFFAOYSA-N 1 2 369.893 2.775 20 30 FFEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)C(C)(C)C ZINC000288227173 511068264 /nfs/dbraw/zinc/06/82/64/511068264.db2.gz AGPDZQHOLGPRCN-KRWDZBQOSA-N 1 2 366.465 2.865 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000331658067 511069044 /nfs/dbraw/zinc/06/90/44/511069044.db2.gz LTWINUYMUFLRFT-DOTOQJQBSA-N 1 2 372.517 2.792 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000331658067 511069051 /nfs/dbraw/zinc/06/90/51/511069051.db2.gz LTWINUYMUFLRFT-DOTOQJQBSA-N 1 2 372.517 2.792 20 30 FFEDLO C=CCCCNC(=O)C(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000288527578 511078701 /nfs/dbraw/zinc/07/87/01/511078701.db2.gz GUOULIYCQOQGCL-UHFFFAOYSA-N 1 2 354.454 2.591 20 30 FFEDLO C=CCOc1ccc(C[N@@H+](CC)[C@@H](C)CS(=O)(=O)CC)cc1OC ZINC000271179873 511109987 /nfs/dbraw/zinc/10/99/87/511109987.db2.gz KSKIZIAVEHGXBO-HNNXBMFYSA-N 1 2 355.500 2.905 20 30 FFEDLO C=CCOc1ccc(C[N@H+](CC)[C@@H](C)CS(=O)(=O)CC)cc1OC ZINC000271179873 511109993 /nfs/dbraw/zinc/10/99/93/511109993.db2.gz KSKIZIAVEHGXBO-HNNXBMFYSA-N 1 2 355.500 2.905 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)n1 ZINC000289789030 511114999 /nfs/dbraw/zinc/11/49/99/511114999.db2.gz LTCMRNOWPAWNOH-KRWDZBQOSA-N 1 2 363.425 2.887 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)n1 ZINC000289789030 511115006 /nfs/dbraw/zinc/11/50/06/511115006.db2.gz LTCMRNOWPAWNOH-KRWDZBQOSA-N 1 2 363.425 2.887 20 30 FFEDLO COCCCn1nccc1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000282825661 511125109 /nfs/dbraw/zinc/12/51/09/511125109.db2.gz PWZIROWMDYTBOX-UHFFFAOYSA-N 1 2 373.888 2.767 20 30 FFEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3cnccc3C#N)CC2)cs1 ZINC000271404174 511193461 /nfs/dbraw/zinc/19/34/61/511193461.db2.gz OGKBLVVKFZPEKK-CQSZACIVSA-N 1 2 357.483 2.829 20 30 FFEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3cnccc3C#N)CC2)cs1 ZINC000271404174 511193466 /nfs/dbraw/zinc/19/34/66/511193466.db2.gz OGKBLVVKFZPEKK-CQSZACIVSA-N 1 2 357.483 2.829 20 30 FFEDLO N#Cc1ccccc1OCc1ccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)o1 ZINC000363037486 511312318 /nfs/dbraw/zinc/31/23/18/511312318.db2.gz GONAJAPAIABKQS-AWEZNQCLSA-N 1 2 362.389 2.741 20 30 FFEDLO N#Cc1ccccc1OCc1ccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)o1 ZINC000363037486 511312321 /nfs/dbraw/zinc/31/23/21/511312321.db2.gz GONAJAPAIABKQS-AWEZNQCLSA-N 1 2 362.389 2.741 20 30 FFEDLO CC(C)(C)c1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[nH]n1 ZINC000298617269 511350867 /nfs/dbraw/zinc/35/08/67/511350867.db2.gz UDHWHZGROCDZBM-UHFFFAOYSA-N 1 2 351.454 2.537 20 30 FFEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(C#N)ccc1Br)CCO2 ZINC000280332683 511424435 /nfs/dbraw/zinc/42/44/35/511424435.db2.gz HIMCMFLVSWKSOE-BLLLJJGKSA-N 1 2 351.244 2.701 20 30 FFEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc(C#N)ccc1Br)CCO2 ZINC000280332683 511424440 /nfs/dbraw/zinc/42/44/40/511424440.db2.gz HIMCMFLVSWKSOE-BLLLJJGKSA-N 1 2 351.244 2.701 20 30 FFEDLO C=C(C)Cn1c(C)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000283606416 511431915 /nfs/dbraw/zinc/43/19/15/511431915.db2.gz MRTSNFCJTASUTR-MRXNPFEDSA-N 1 2 361.515 2.734 20 30 FFEDLO CCS[C@H](C)c1noc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292137757 511479592 /nfs/dbraw/zinc/47/95/92/511479592.db2.gz JGLGVPIAWNCFKW-TZMCWYRMSA-N 1 2 359.455 2.804 20 30 FFEDLO CCS[C@H](C)c1noc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292137757 511479600 /nfs/dbraw/zinc/47/96/00/511479600.db2.gz JGLGVPIAWNCFKW-TZMCWYRMSA-N 1 2 359.455 2.804 20 30 FFEDLO CCS[C@H](C)c1noc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292137756 511479706 /nfs/dbraw/zinc/47/97/06/511479706.db2.gz JGLGVPIAWNCFKW-OCCSQVGLSA-N 1 2 359.455 2.804 20 30 FFEDLO CCS[C@H](C)c1noc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292137756 511479711 /nfs/dbraw/zinc/47/97/11/511479711.db2.gz JGLGVPIAWNCFKW-OCCSQVGLSA-N 1 2 359.455 2.804 20 30 FFEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)sc1C ZINC000292159191 511488762 /nfs/dbraw/zinc/48/87/62/511488762.db2.gz KTNMUTAEVQVPGS-SWLSCSKDSA-N 1 2 371.466 2.507 20 30 FFEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)sc1C ZINC000292159191 511488769 /nfs/dbraw/zinc/48/87/69/511488769.db2.gz KTNMUTAEVQVPGS-SWLSCSKDSA-N 1 2 371.466 2.507 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)n1 ZINC000299054187 511498583 /nfs/dbraw/zinc/49/85/83/511498583.db2.gz QYJWCXOMVUJBHP-CYBMUJFWSA-N 1 2 359.817 2.721 20 30 FFEDLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)n1 ZINC000299054187 511498586 /nfs/dbraw/zinc/49/85/86/511498586.db2.gz QYJWCXOMVUJBHP-CYBMUJFWSA-N 1 2 359.817 2.721 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000273260788 511519894 /nfs/dbraw/zinc/51/98/94/511519894.db2.gz BXAPCQSMJVHVPO-CVEARBPZSA-N 1 2 354.454 2.900 20 30 FFEDLO Cc1cc(-c2noc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C3CC3)n2)ccc1F ZINC000273310235 511521915 /nfs/dbraw/zinc/52/19/15/511521915.db2.gz MXNDBJDCUGLTSW-BLVKFPJESA-N 1 2 371.416 2.643 20 30 FFEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000273356370 511523131 /nfs/dbraw/zinc/52/31/31/511523131.db2.gz ZITRGIMRMTXAPX-CYBMUJFWSA-N 1 2 359.405 2.597 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nccn3Cc3ccccc3)C2)nc1 ZINC000292272593 511532120 /nfs/dbraw/zinc/53/21/20/511532120.db2.gz SHFJXPTVGOHMPL-IBGZPJMESA-N 1 2 359.433 2.851 20 30 FFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nccn3Cc3ccccc3)C2)nc1 ZINC000292272593 511532127 /nfs/dbraw/zinc/53/21/27/511532127.db2.gz SHFJXPTVGOHMPL-IBGZPJMESA-N 1 2 359.433 2.851 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)nc1 ZINC000292321391 511552489 /nfs/dbraw/zinc/55/24/89/511552489.db2.gz VVCQGRTYOCNJCQ-CYBMUJFWSA-N 1 2 360.320 2.793 20 30 FFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)nc1 ZINC000292321391 511552490 /nfs/dbraw/zinc/55/24/90/511552490.db2.gz VVCQGRTYOCNJCQ-CYBMUJFWSA-N 1 2 360.320 2.793 20 30 FFEDLO C=CC[C@H](CC)NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000280889929 511642892 /nfs/dbraw/zinc/64/28/92/511642892.db2.gz BQVAOUZJYUQEIH-INIZCTEOSA-N 1 2 358.486 2.743 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c(C#N)c1C ZINC000365882737 511707632 /nfs/dbraw/zinc/70/76/32/511707632.db2.gz PEZUOYVFMJTMKW-CQSZACIVSA-N 1 2 355.467 2.845 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](c3ccncn3)C2)c(C#N)c1C ZINC000365882737 511707638 /nfs/dbraw/zinc/70/76/38/511707638.db2.gz PEZUOYVFMJTMKW-CQSZACIVSA-N 1 2 355.467 2.845 20 30 FFEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](OCc3ccncc3)C2)c(C#N)c1C ZINC000281114809 511725460 /nfs/dbraw/zinc/72/54/60/511725460.db2.gz XADNZPIQPPLQAV-INIZCTEOSA-N 1 2 370.478 2.861 20 30 FFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](OCc3ccncc3)C2)c(C#N)c1C ZINC000281114809 511725467 /nfs/dbraw/zinc/72/54/67/511725467.db2.gz XADNZPIQPPLQAV-INIZCTEOSA-N 1 2 370.478 2.861 20 30 FFEDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000274203462 511753481 /nfs/dbraw/zinc/75/34/81/511753481.db2.gz LKCNWDYEOZQOAJ-UHFFFAOYSA-N 1 2 364.405 2.733 20 30 FFEDLO COC(=O)N1CCN(c2ccc(NCc3ccc(C#N)cc3F)c[nH+]2)CC1 ZINC000293223237 511887414 /nfs/dbraw/zinc/88/74/14/511887414.db2.gz YYABMELIMXRUFT-UHFFFAOYSA-N 1 2 369.400 2.593 20 30 FFEDLO O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)c1cn2c(n1)CCCC2 ZINC000328729024 511922100 /nfs/dbraw/zinc/92/21/00/511922100.db2.gz VWOGNSBRXIRSHH-SFHVURJKSA-N 1 2 354.454 2.598 20 30 FFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Cn1cnc3c(C)cccc3c1=O)CCC2 ZINC000328778374 511930485 /nfs/dbraw/zinc/93/04/85/511930485.db2.gz IPFGWLRSKMVBEV-OAHLLOKOSA-N 1 2 365.437 2.744 20 30 FFEDLO Cc1noc([C@@H]([NH2+]CC(=O)NC2CCC(C)CC2)C2CCOCC2)n1 ZINC000328943887 511954360 /nfs/dbraw/zinc/95/43/60/511954360.db2.gz FYEAHMRRBCWCGL-QOJXUVEWSA-N 1 2 350.463 2.971 20 30 FFEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000328978056 511959203 /nfs/dbraw/zinc/95/92/03/511959203.db2.gz QQPOZXCJLYNQEJ-HRCADAONSA-N 1 2 362.426 2.519 20 30 FFEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000328978056 511959210 /nfs/dbraw/zinc/95/92/10/511959210.db2.gz QQPOZXCJLYNQEJ-HRCADAONSA-N 1 2 362.426 2.519 20 30 FFEDLO N#Cc1c(Cl)cccc1NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000296977038 511972919 /nfs/dbraw/zinc/97/29/19/511972919.db2.gz DLOIQRHCAMTVIB-UHFFFAOYSA-N 1 2 369.856 2.920 20 30 FFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000281820242 511978025 /nfs/dbraw/zinc/97/80/25/511978025.db2.gz PEHWBFWNUUGXTA-PKOBYXMFSA-N 1 2 358.486 2.852 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1coc(C2CCOCC2)n1)C1CCOCC1 ZINC000329098823 511983613 /nfs/dbraw/zinc/98/36/13/511983613.db2.gz YXJNPHVCKJMKEX-MRXNPFEDSA-N 1 2 374.441 2.775 20 30 FFEDLO O=C(C[NH+]1CCC(N2CCCC2=O)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000329117008 511985746 /nfs/dbraw/zinc/98/57/46/511985746.db2.gz UGVXGQZPFPBWKW-UHFFFAOYSA-N 1 2 373.453 2.523 20 30 FFEDLO C[C@H](c1cccc(NC(=O)N2CCOC3(CCC3)C2)c1)[NH+]1CCOCC1 ZINC000329116490 511985862 /nfs/dbraw/zinc/98/58/62/511985862.db2.gz IQGFHGPQCAIFON-MRXNPFEDSA-N 1 2 359.470 2.880 20 30 FFEDLO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000329311167 512025648 /nfs/dbraw/zinc/02/56/48/512025648.db2.gz CNWPPXLMINZGCP-BCYZHJNNSA-N 1 2 372.513 2.836 20 30 FFEDLO CC(C)(C)c1nc(=NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)s[nH]1 ZINC000329346856 512030278 /nfs/dbraw/zinc/03/02/78/512030278.db2.gz VIXCDNPFRURKHN-AWEZNQCLSA-N 1 2 359.499 2.858 20 30 FFEDLO CC(C)(C)c1nc(=NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)s[nH]1 ZINC000329346856 512030283 /nfs/dbraw/zinc/03/02/83/512030283.db2.gz VIXCDNPFRURKHN-AWEZNQCLSA-N 1 2 359.499 2.858 20 30 FFEDLO CC(=O)c1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000297150126 512038906 /nfs/dbraw/zinc/03/89/06/512038906.db2.gz KJAAMTBLSFIYFO-UHFFFAOYSA-N 1 2 363.421 2.506 20 30 FFEDLO O=C(Nc1cnc2c(c1)CCCC2)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000329437172 512046092 /nfs/dbraw/zinc/04/60/92/512046092.db2.gz JHOSXFZBNAWXLD-GOSISDBHSA-N 1 2 358.486 2.693 20 30 FFEDLO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CCS(=O)(=O)CC1 ZINC000329444517 512047215 /nfs/dbraw/zinc/04/72/15/512047215.db2.gz NOPNALNGYLXFMW-AWEZNQCLSA-N 1 2 356.513 2.666 20 30 FFEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Nc2cnc3c(c2)CCCC3)CC1 ZINC000329441305 512047593 /nfs/dbraw/zinc/04/75/93/512047593.db2.gz JZGKFYOXLGTRPM-CQSZACIVSA-N 1 2 371.485 2.631 20 30 FFEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329465359 512051526 /nfs/dbraw/zinc/05/15/26/512051526.db2.gz VAIFQONWPPSAIF-KGLIPLIRSA-N 1 2 367.877 2.650 20 30 FFEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329465359 512051533 /nfs/dbraw/zinc/05/15/33/512051533.db2.gz VAIFQONWPPSAIF-KGLIPLIRSA-N 1 2 367.877 2.650 20 30 FFEDLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329468253 512053398 /nfs/dbraw/zinc/05/33/98/512053398.db2.gz XFPVXPIPBYHTNY-FPGLTXJFSA-N 1 2 372.513 2.765 20 30 FFEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCSC[C@@H]1C)C1CCOCC1 ZINC000329502226 512059718 /nfs/dbraw/zinc/05/97/18/512059718.db2.gz WFQNJLDCGCHIHU-DZGCQCFKSA-N 1 2 352.504 2.722 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000329596364 512074682 /nfs/dbraw/zinc/07/46/82/512074682.db2.gz INGARGDHIGGURT-DYVFJYSZSA-N 1 2 368.437 2.789 20 30 FFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000329596364 512074683 /nfs/dbraw/zinc/07/46/83/512074683.db2.gz INGARGDHIGGURT-DYVFJYSZSA-N 1 2 368.437 2.789 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H]3CCCCS3)c[nH+]2)CCO1 ZINC000329644024 512081960 /nfs/dbraw/zinc/08/19/60/512081960.db2.gz IZOUMNNPANMIAU-ZBFHGGJFSA-N 1 2 364.515 2.596 20 30 FFEDLO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000329668789 512084401 /nfs/dbraw/zinc/08/44/01/512084401.db2.gz SDPPROQRMIZJMU-PZJWPPBQSA-N 1 2 372.513 2.921 20 30 FFEDLO C=CCn1c(N2CC[NH+](Cc3cnc(C)s3)CC2)nnc1C(C)(C)C ZINC000282161335 512091641 /nfs/dbraw/zinc/09/16/41/512091641.db2.gz CWPVPPZJSOUUIS-UHFFFAOYSA-N 1 2 360.531 2.849 20 30 FFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000329811553 512100753 /nfs/dbraw/zinc/10/07/53/512100753.db2.gz RMGQOIAFGFMLEP-CYBMUJFWSA-N 1 2 374.876 2.550 20 30 FFEDLO C[C@H](C(=O)N[C@H]1CCc2c[nH]nc2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000329827629 512101963 /nfs/dbraw/zinc/10/19/63/512101963.db2.gz CUXYIMCZLOFBNX-PBHICJAKSA-N 1 2 371.460 2.573 20 30 FFEDLO Cc1[nH+]c2ccc(C(=O)N3CCC[C@@]4(CCCCO4)[C@H]3C#N)cc2n1C ZINC000373760933 512492658 /nfs/dbraw/zinc/49/26/58/512492658.db2.gz YHPBBERXCBMFNR-QUCCMNQESA-N 1 2 352.438 2.949 20 30 FFEDLO CCCNC(=O)C[N@H+](CCC)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411175229 512503452 /nfs/dbraw/zinc/50/34/52/512503452.db2.gz CYNVZAQNFXTNSN-ZDUSSCGKSA-N 1 2 364.877 2.777 20 30 FFEDLO CCCNC(=O)C[N@@H+](CCC)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411175229 512503455 /nfs/dbraw/zinc/50/34/55/512503455.db2.gz CYNVZAQNFXTNSN-ZDUSSCGKSA-N 1 2 364.877 2.777 20 30 FFEDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000375792464 512508438 /nfs/dbraw/zinc/50/84/38/512508438.db2.gz QJLZONIQGVTMNV-INIZCTEOSA-N 1 2 369.425 2.661 20 30 FFEDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000375792464 512508443 /nfs/dbraw/zinc/50/84/43/512508443.db2.gz QJLZONIQGVTMNV-INIZCTEOSA-N 1 2 369.425 2.661 20 30 FFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000411193015 512514192 /nfs/dbraw/zinc/51/41/92/512514192.db2.gz NBOMKIKTFYNYEW-SFHVURJKSA-N 1 2 369.425 2.512 20 30 FFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000411193015 512514197 /nfs/dbraw/zinc/51/41/97/512514197.db2.gz NBOMKIKTFYNYEW-SFHVURJKSA-N 1 2 369.425 2.512 20 30 FFEDLO N#Cc1ccccc1COc1cccc(C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000378077063 512578108 /nfs/dbraw/zinc/57/81/08/512578108.db2.gz ZVNFARBWNNCLMG-UHFFFAOYSA-N 1 2 358.401 2.990 20 30 FFEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000411490072 512660907 /nfs/dbraw/zinc/66/09/07/512660907.db2.gz SCWGSLLAVKUJHS-HNNXBMFYSA-N 1 2 364.453 2.834 20 30 FFEDLO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000411490072 512660913 /nfs/dbraw/zinc/66/09/13/512660913.db2.gz SCWGSLLAVKUJHS-HNNXBMFYSA-N 1 2 364.453 2.834 20 30 FFEDLO N#Cc1ccc(N2CC[C@H](C(=O)N3CCC[C@H]3c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000367840824 512685294 /nfs/dbraw/zinc/68/52/94/512685294.db2.gz ILUJKETYZKNNEK-YOEHRIQHSA-N 1 2 353.401 2.610 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](n4cc(Cl)cn4)C3)o2)cc1 ZINC000368685001 513059583 /nfs/dbraw/zinc/05/95/83/513059583.db2.gz XTGQEVQGDFDLKT-OAHLLOKOSA-N 1 2 354.801 2.905 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](n4cc(Cl)cn4)C3)o2)cc1 ZINC000368685001 513059586 /nfs/dbraw/zinc/05/95/86/513059586.db2.gz XTGQEVQGDFDLKT-OAHLLOKOSA-N 1 2 354.801 2.905 20 30 FFEDLO C=CCN1CC(=O)N([C@@H]2CC[N@@H+](CC)[C@@H]2c2cc(F)c(F)c(F)c2)C1=O ZINC000372967016 513117764 /nfs/dbraw/zinc/11/77/64/513117764.db2.gz SPXOMRQOVGDXRF-RHSMWYFYSA-N 1 2 367.371 2.689 20 30 FFEDLO C=CCN1CC(=O)N([C@@H]2CC[N@H+](CC)[C@@H]2c2cc(F)c(F)c(F)c2)C1=O ZINC000372967016 513117767 /nfs/dbraw/zinc/11/77/67/513117767.db2.gz SPXOMRQOVGDXRF-RHSMWYFYSA-N 1 2 367.371 2.689 20 30 FFEDLO N#C[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1ccccc1F ZINC000428799823 513195686 /nfs/dbraw/zinc/19/56/86/513195686.db2.gz FGEFDUCLPZYZOD-IBGZPJMESA-N 1 2 353.397 2.653 20 30 FFEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000450496471 513220742 /nfs/dbraw/zinc/22/07/42/513220742.db2.gz YNMZUPJJKWTQNR-LJQANCHMSA-N 1 2 369.509 2.534 20 30 FFEDLO COc1ccc(F)cc1C[NH+]1CCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000425197739 513448380 /nfs/dbraw/zinc/44/83/80/513448380.db2.gz DCPOMYQTMXSMJW-UHFFFAOYSA-N 1 2 366.440 2.912 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCC2(CC#N)CC2)[C@@H](C)C1 ZINC000441104763 513486304 /nfs/dbraw/zinc/48/63/04/513486304.db2.gz TTWGYONPRLEWQU-KRWDZBQOSA-N 1 2 370.497 2.995 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCC2(CC#N)CC2)[C@@H](C)C1 ZINC000441104763 513486309 /nfs/dbraw/zinc/48/63/09/513486309.db2.gz TTWGYONPRLEWQU-KRWDZBQOSA-N 1 2 370.497 2.995 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCCN(CC(F)(F)F)CC3)o2)c1 ZINC000441172357 513504366 /nfs/dbraw/zinc/50/43/66/513504366.db2.gz AVVAFHWEWFLXKM-UHFFFAOYSA-N 1 2 365.359 2.678 20 30 FFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCCN(CC(F)(F)F)CC3)o2)c1 ZINC000441172357 513504371 /nfs/dbraw/zinc/50/43/71/513504371.db2.gz AVVAFHWEWFLXKM-UHFFFAOYSA-N 1 2 365.359 2.678 20 30 FFEDLO CN(C)c1[nH+]cc(CN2CCC(Oc3ccc(C#N)cc3F)CC2)n1C ZINC000425388127 513537326 /nfs/dbraw/zinc/53/73/26/513537326.db2.gz VZMWAWLJRLSPRT-UHFFFAOYSA-N 1 2 357.433 2.540 20 30 FFEDLO C=CC[N@H+](Cc1nc(C(F)F)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000425397334 513542575 /nfs/dbraw/zinc/54/25/75/513542575.db2.gz ANNQHSCAAGWFTL-LLVKDONJSA-N 1 2 361.356 2.732 20 30 FFEDLO C=CC[N@@H+](Cc1nc(C(F)F)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000425397334 513542580 /nfs/dbraw/zinc/54/25/80/513542580.db2.gz ANNQHSCAAGWFTL-LLVKDONJSA-N 1 2 361.356 2.732 20 30 FFEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H](C)O2 ZINC000447824489 513584712 /nfs/dbraw/zinc/58/47/12/513584712.db2.gz ARIBWNRHUHZGJE-FHSNZYRGSA-N 1 2 352.381 2.928 20 30 FFEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H](C)O2 ZINC000447824489 513584720 /nfs/dbraw/zinc/58/47/20/513584720.db2.gz ARIBWNRHUHZGJE-FHSNZYRGSA-N 1 2 352.381 2.928 20 30 FFEDLO CCOC(=O)[C@@H](CC)[N@H+](C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447877312 513612106 /nfs/dbraw/zinc/61/21/06/513612106.db2.gz HEMUFZFFGSQLSU-RTBURBONSA-N 1 2 369.465 2.860 20 30 FFEDLO CCOC(=O)[C@@H](CC)[N@@H+](C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447877312 513612114 /nfs/dbraw/zinc/61/21/14/513612114.db2.gz HEMUFZFFGSQLSU-RTBURBONSA-N 1 2 369.465 2.860 20 30 FFEDLO CCOC(=O)[C@H](CC)[N@H+](C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447877310 513612771 /nfs/dbraw/zinc/61/27/71/513612771.db2.gz HEMUFZFFGSQLSU-RBUKOAKNSA-N 1 2 369.465 2.860 20 30 FFEDLO CCOC(=O)[C@H](CC)[N@@H+](C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447877310 513612778 /nfs/dbraw/zinc/61/27/78/513612778.db2.gz HEMUFZFFGSQLSU-RBUKOAKNSA-N 1 2 369.465 2.860 20 30 FFEDLO CC[C@@](C)(C(=O)OC)[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)CC1CC1 ZINC000425512735 513612872 /nfs/dbraw/zinc/61/28/72/513612872.db2.gz NJOTYKNBCFMVEU-IBGZPJMESA-N 1 2 361.442 2.760 20 30 FFEDLO CC[C@@](C)(C(=O)OC)[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)CC1CC1 ZINC000425512735 513612878 /nfs/dbraw/zinc/61/28/78/513612878.db2.gz NJOTYKNBCFMVEU-IBGZPJMESA-N 1 2 361.442 2.760 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430321293 513621408 /nfs/dbraw/zinc/62/14/08/513621408.db2.gz LIYDIIWZOZMAGO-GOSISDBHSA-N 1 2 365.481 2.529 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430321293 513621415 /nfs/dbraw/zinc/62/14/15/513621415.db2.gz LIYDIIWZOZMAGO-GOSISDBHSA-N 1 2 365.481 2.529 20 30 FFEDLO N#Cc1cc2c(nc1N1C[C@@H]3[C@H](C1)OCC[N@@H+]3Cc1ccccc1)CCC2 ZINC000435585236 513626691 /nfs/dbraw/zinc/62/66/91/513626691.db2.gz QKUAVFNMGLFIMX-RTWAWAEBSA-N 1 2 360.461 2.532 20 30 FFEDLO N#Cc1cc2c(nc1N1C[C@@H]3[C@H](C1)OCC[N@H+]3Cc1ccccc1)CCC2 ZINC000435585236 513626694 /nfs/dbraw/zinc/62/66/94/513626694.db2.gz QKUAVFNMGLFIMX-RTWAWAEBSA-N 1 2 360.461 2.532 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000425571321 513646246 /nfs/dbraw/zinc/64/62/46/513646246.db2.gz HRIQNHLLQHJMNM-WMZOPIPTSA-N 1 2 363.889 2.758 20 30 FFEDLO N#CCc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000451292563 513657653 /nfs/dbraw/zinc/65/76/53/513657653.db2.gz BSTCFVLTEOQUQT-ZDUSSCGKSA-N 1 2 364.858 2.697 20 30 FFEDLO CC(C)(CC#N)CS(=O)(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000451387861 513717106 /nfs/dbraw/zinc/71/71/06/513717106.db2.gz HFTRFYCSGXCYFG-UHFFFAOYSA-N 1 2 352.504 2.645 20 30 FFEDLO CC[C@@H](C(=O)N[C@H]1CCCc2cc(C#N)ccc21)[N@@H+]1CCO[C@H](CC)C1 ZINC000416339489 513719998 /nfs/dbraw/zinc/71/99/98/513719998.db2.gz NLTPQOQOUOGYRH-HOJAQTOUSA-N 1 2 355.482 2.941 20 30 FFEDLO CC[C@@H](C(=O)N[C@H]1CCCc2cc(C#N)ccc21)[N@H+]1CCO[C@H](CC)C1 ZINC000416339489 513720002 /nfs/dbraw/zinc/72/00/02/513720002.db2.gz NLTPQOQOUOGYRH-HOJAQTOUSA-N 1 2 355.482 2.941 20 30 FFEDLO N#CCC1(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000430685509 513722054 /nfs/dbraw/zinc/72/20/54/513722054.db2.gz RJYXCUMKPABNKN-CQSZACIVSA-N 1 2 362.424 2.922 20 30 FFEDLO N#CCC1(CNC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000430685509 513722061 /nfs/dbraw/zinc/72/20/61/513722061.db2.gz RJYXCUMKPABNKN-CQSZACIVSA-N 1 2 362.424 2.922 20 30 FFEDLO C[C@H](C#N)S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000416383872 513743945 /nfs/dbraw/zinc/74/39/45/513743945.db2.gz CXXZBLPNEXFGRN-CJNGLKHVSA-N 1 2 355.891 2.526 20 30 FFEDLO C[C@H](C#N)S(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000416383872 513743954 /nfs/dbraw/zinc/74/39/54/513743954.db2.gz CXXZBLPNEXFGRN-CJNGLKHVSA-N 1 2 355.891 2.526 20 30 FFEDLO C=CCN1C(=O)N(Cc2ccc(N(C)C)[nH+]c2)C(=O)[C@H]1Cc1ccccc1 ZINC000430863126 513768378 /nfs/dbraw/zinc/76/83/78/513768378.db2.gz QBPJCGRMKLTYTC-GOSISDBHSA-N 1 2 364.449 2.709 20 30 FFEDLO C=CCOc1ccc(C(=O)N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)cc1 ZINC000442828511 513789364 /nfs/dbraw/zinc/78/93/64/513789364.db2.gz NACSPGJZUOEBGD-OAQYLSRUSA-N 1 2 374.481 2.787 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2COc2cccnc2C)c(C#N)c1C ZINC000419386648 513795716 /nfs/dbraw/zinc/79/57/16/513795716.db2.gz BUJCHROZFYJLQC-INIZCTEOSA-N 1 2 368.437 2.953 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2COc2cccnc2C)c(C#N)c1C ZINC000419386648 513795718 /nfs/dbraw/zinc/79/57/18/513795718.db2.gz BUJCHROZFYJLQC-INIZCTEOSA-N 1 2 368.437 2.953 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@](C)(CC)C2)cc1 ZINC000442878313 513801968 /nfs/dbraw/zinc/80/19/68/513801968.db2.gz FFSRXRRFLQJENC-HXUWFJFHSA-N 1 2 359.470 2.833 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@](C)(CC)C2)cc1 ZINC000442878313 513801976 /nfs/dbraw/zinc/80/19/76/513801976.db2.gz FFSRXRRFLQJENC-HXUWFJFHSA-N 1 2 359.470 2.833 20 30 FFEDLO COc1ccccc1CN1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000442887343 513803717 /nfs/dbraw/zinc/80/37/17/513803717.db2.gz XVPUPPXIZWAVLV-UHFFFAOYSA-N 1 2 351.450 2.893 20 30 FFEDLO CCOc1c(Cl)cccc1C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000425990793 513819120 /nfs/dbraw/zinc/81/91/20/513819120.db2.gz OZJIANHMNRGDLT-UHFFFAOYSA-N 1 2 373.888 2.975 20 30 FFEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3cc(C#N)[nH]c3C)CCCC2)no1 ZINC000448794382 513902150 /nfs/dbraw/zinc/90/21/50/513902150.db2.gz JIJVTTVHTMOAGA-UHFFFAOYSA-N 1 2 370.457 2.619 20 30 FFEDLO COc1cc(F)cc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000449044259 514046985 /nfs/dbraw/zinc/04/69/85/514046985.db2.gz CPIVERWVEDUKDN-XOBRGWDASA-N 1 2 351.381 2.680 20 30 FFEDLO COc1cc(F)cc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000449044259 514046987 /nfs/dbraw/zinc/04/69/87/514046987.db2.gz CPIVERWVEDUKDN-XOBRGWDASA-N 1 2 351.381 2.680 20 30 FFEDLO C[C@H]([C@H](C)NC(=O)N[C@@H](CCCC#N)c1ccccc1)[NH+]1CCOCC1 ZINC000431982577 514057353 /nfs/dbraw/zinc/05/73/53/514057353.db2.gz BTHXPQILOLTYBB-SCTDSRPQSA-N 1 2 358.486 2.830 20 30 FFEDLO CN(C)c1cc(C#N)cc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC000432647879 514251729 /nfs/dbraw/zinc/25/17/29/514251729.db2.gz WISXFCXTYXCRDB-UHFFFAOYSA-N 1 2 364.449 2.709 20 30 FFEDLO C=CC[C@H]1N(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CCCC1(C)C ZINC000444638944 514282399 /nfs/dbraw/zinc/28/23/99/514282399.db2.gz XPWQDTVLDFOECL-GOSISDBHSA-N 1 2 356.514 2.797 20 30 FFEDLO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000444797841 514336473 /nfs/dbraw/zinc/33/64/73/514336473.db2.gz YPNSOOYKAGPQNW-AWEZNQCLSA-N 1 2 358.410 2.559 20 30 FFEDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000444797841 514336484 /nfs/dbraw/zinc/33/64/84/514336484.db2.gz YPNSOOYKAGPQNW-AWEZNQCLSA-N 1 2 358.410 2.559 20 30 FFEDLO N#Cc1cnc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c(Cl)c1 ZINC000427908181 514343769 /nfs/dbraw/zinc/34/37/69/514343769.db2.gz YNPYEBBQKUNGHB-UHFFFAOYSA-N 1 2 365.824 2.824 20 30 FFEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000428320825 514448359 /nfs/dbraw/zinc/44/83/59/514448359.db2.gz OIVSWQBLDIGMHW-CYBMUJFWSA-N 1 2 361.442 2.798 20 30 FFEDLO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)CC(C)(C)C#N)c(OC)c1 ZINC000433299841 514449950 /nfs/dbraw/zinc/44/99/50/514449950.db2.gz CFSIMBVAYFHGMB-QGZVFWFLSA-N 1 2 359.470 2.849 20 30 FFEDLO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)CC(C)(C)C#N)c(OC)c1 ZINC000433299841 514449957 /nfs/dbraw/zinc/44/99/57/514449957.db2.gz CFSIMBVAYFHGMB-QGZVFWFLSA-N 1 2 359.470 2.849 20 30 FFEDLO CC(C)Cc1nnc(NC(=O)C[N@H+](C)Cc2ccc(F)c(C#N)c2)s1 ZINC000439003529 514481734 /nfs/dbraw/zinc/48/17/34/514481734.db2.gz BWVADUDXQWRAEK-UHFFFAOYSA-N 1 2 361.446 2.818 20 30 FFEDLO CC(C)Cc1nnc(NC(=O)C[N@@H+](C)Cc2ccc(F)c(C#N)c2)s1 ZINC000439003529 514481737 /nfs/dbraw/zinc/48/17/37/514481737.db2.gz BWVADUDXQWRAEK-UHFFFAOYSA-N 1 2 361.446 2.818 20 30 FFEDLO Cc1cc(C)c(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c(C)[nH+]1 ZINC000455506326 514563439 /nfs/dbraw/zinc/56/34/39/514563439.db2.gz XZQFLQFIDIHQFT-UHFFFAOYSA-N 1 2 350.426 2.628 20 30 FFEDLO N#Cc1csc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000475432418 514659088 /nfs/dbraw/zinc/65/90/88/514659088.db2.gz ZKYYKMQDJMPZIZ-ZDUSSCGKSA-N 1 2 350.241 2.698 20 30 FFEDLO Cc1nc(N2CCN(C(=O)Nc3ccc(CC#N)cc3Cl)CC2)cc[nH+]1 ZINC000455726953 514707199 /nfs/dbraw/zinc/70/71/99/514707199.db2.gz FNVVCUPJEJNBOJ-UHFFFAOYSA-N 1 2 370.844 2.859 20 30 FFEDLO CCCCNC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471003307 514710858 /nfs/dbraw/zinc/71/08/58/514710858.db2.gz DLTRBVBJUVQZNW-MAUKXSAKSA-N 1 2 362.905 2.827 20 30 FFEDLO C[C@@H]1CCCN(C(=O)C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1 ZINC000471008619 514713942 /nfs/dbraw/zinc/71/39/42/514713942.db2.gz QDJBMFDPOFDGTN-APWZRJJASA-N 1 2 374.916 2.781 20 30 FFEDLO CC(C)CNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471009904 514714560 /nfs/dbraw/zinc/71/45/60/514714560.db2.gz WVESVWKQNQMRGS-CRAIPNDOSA-N 1 2 362.905 2.683 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000471034464 514727277 /nfs/dbraw/zinc/72/72/77/514727277.db2.gz ZZESPLGFOCHGNN-QGZVFWFLSA-N 1 2 369.469 2.766 20 30 FFEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000471034464 514727287 /nfs/dbraw/zinc/72/72/87/514727287.db2.gz ZZESPLGFOCHGNN-QGZVFWFLSA-N 1 2 369.469 2.766 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C#N)nc2)[C@@H](C)C1 ZINC000508301814 514735350 /nfs/dbraw/zinc/73/53/50/514735350.db2.gz OXCYDNXYIUTUGN-INIZCTEOSA-N 1 2 364.449 2.698 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C#N)nc2)[C@@H](C)C1 ZINC000508301814 514735357 /nfs/dbraw/zinc/73/53/57/514735357.db2.gz OXCYDNXYIUTUGN-INIZCTEOSA-N 1 2 364.449 2.698 20 30 FFEDLO CC(F)(F)c1ccccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000455805723 514749960 /nfs/dbraw/zinc/74/99/60/514749960.db2.gz KLNFJTWTOZLUNN-UHFFFAOYSA-N 1 2 366.412 2.878 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489276742 514780213 /nfs/dbraw/zinc/78/02/13/514780213.db2.gz JXNSGAKWZDESNI-OAHLLOKOSA-N 1 2 373.453 2.592 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489276742 514780225 /nfs/dbraw/zinc/78/02/25/514780225.db2.gz JXNSGAKWZDESNI-OAHLLOKOSA-N 1 2 373.453 2.592 20 30 FFEDLO C=CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000508463239 514787100 /nfs/dbraw/zinc/78/71/00/514787100.db2.gz FIHXRXYGHFFUCM-QGZVFWFLSA-N 1 2 373.888 2.695 20 30 FFEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000489400940 514829872 /nfs/dbraw/zinc/82/98/72/514829872.db2.gz KUFCGAWDBKRPOK-KRWDZBQOSA-N 1 2 358.486 2.992 20 30 FFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000489400940 514829882 /nfs/dbraw/zinc/82/98/82/514829882.db2.gz KUFCGAWDBKRPOK-KRWDZBQOSA-N 1 2 358.486 2.992 20 30 FFEDLO CCN1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000476019618 514884148 /nfs/dbraw/zinc/88/41/48/514884148.db2.gz GHYVNLKTEOUXBB-QGZVFWFLSA-N 1 2 351.454 2.730 20 30 FFEDLO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000508866424 514927061 /nfs/dbraw/zinc/92/70/61/514927061.db2.gz ZYILFUBCDWSOBD-CQSZACIVSA-N 1 2 369.498 2.799 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(OC(C)(C)C)n1 ZINC000508893222 514941880 /nfs/dbraw/zinc/94/18/80/514941880.db2.gz JKDRUDHOAGVAJV-OAHLLOKOSA-N 1 2 366.469 2.631 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(OC(C)(C)C)n1 ZINC000508893222 514941888 /nfs/dbraw/zinc/94/18/88/514941888.db2.gz JKDRUDHOAGVAJV-OAHLLOKOSA-N 1 2 366.469 2.631 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cccnc2)cc1 ZINC000503186710 514948982 /nfs/dbraw/zinc/94/89/82/514948982.db2.gz MHQJIOFLRGPAOX-UHFFFAOYSA-N 1 2 352.438 2.859 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cccnc2)cc1 ZINC000503186710 514948994 /nfs/dbraw/zinc/94/89/94/514948994.db2.gz MHQJIOFLRGPAOX-UHFFFAOYSA-N 1 2 352.438 2.859 20 30 FFEDLO Cc1onc(CC(=O)NCc2[nH+]ccn2CCCc2ccccc2)c1C#N ZINC000498544922 514957008 /nfs/dbraw/zinc/95/70/08/514957008.db2.gz CJHPNWHWGWTNIH-UHFFFAOYSA-N 1 2 363.421 2.543 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)CC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000458616215 514957495 /nfs/dbraw/zinc/95/74/95/514957495.db2.gz LMGCUJAITBLRTB-CVEARBPZSA-N 1 2 350.413 2.949 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)CC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000458616215 514957501 /nfs/dbraw/zinc/95/75/01/514957501.db2.gz LMGCUJAITBLRTB-CVEARBPZSA-N 1 2 350.413 2.949 20 30 FFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000476283031 514981998 /nfs/dbraw/zinc/98/19/98/514981998.db2.gz AYGHQVOYNZVZMC-ZLPCBKJTSA-N 1 2 367.453 2.833 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@H](C)[C@H](O)C2)c1C#N ZINC000509050632 515001502 /nfs/dbraw/zinc/00/15/02/515001502.db2.gz WOLSMJXWGABZAU-SCLBCKFNSA-N 1 2 358.486 2.733 20 30 FFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@H](C)[C@H](O)C2)c1C#N ZINC000509050632 515001512 /nfs/dbraw/zinc/00/15/12/515001512.db2.gz WOLSMJXWGABZAU-SCLBCKFNSA-N 1 2 358.486 2.733 20 30 FFEDLO C[C@H](NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(C#N)cc1 ZINC000498643507 515006498 /nfs/dbraw/zinc/00/64/98/515006498.db2.gz LKMUYGFQHSBYFF-AWEZNQCLSA-N 1 2 359.389 2.560 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)c(Cl)c1 ZINC000471822219 515022524 /nfs/dbraw/zinc/02/25/24/515022524.db2.gz MFJKJGGNFXYKAX-UHFFFAOYSA-N 1 2 359.861 2.584 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000456353950 515120546 /nfs/dbraw/zinc/12/05/46/515120546.db2.gz NATZZCSYSAPEEO-UKRRQHHQSA-N 1 2 355.417 2.617 20 30 FFEDLO C=CCN(C(=O)Nc1cc[nH+]c(C)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000504150808 515231859 /nfs/dbraw/zinc/23/18/59/515231859.db2.gz KRHYJPNZESLSJN-HNNXBMFYSA-N 1 2 363.425 2.569 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000499336492 515290636 /nfs/dbraw/zinc/29/06/36/515290636.db2.gz YEJCUJQZSQFLEB-ROUUACIJSA-N 1 2 361.873 2.518 20 30 FFEDLO CC(C)c1cccc(O[C@H](C)C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000499353562 515297480 /nfs/dbraw/zinc/29/74/80/515297480.db2.gz YRVARUZVQNZHDD-GOSISDBHSA-N 1 2 373.497 2.652 20 30 FFEDLO C[C@@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)c1ccc(C#N)cc1F ZINC000462947673 515311172 /nfs/dbraw/zinc/31/11/72/515311172.db2.gz XUASNOLRTFPDSE-CQSZACIVSA-N 1 2 352.413 2.802 20 30 FFEDLO C[C@@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)c1ccc(C#N)cc1F ZINC000462947673 515311180 /nfs/dbraw/zinc/31/11/80/515311180.db2.gz XUASNOLRTFPDSE-CQSZACIVSA-N 1 2 352.413 2.802 20 30 FFEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@H+](Cc3ccc(F)cc3)C3CC3)C2=O)cc1 ZINC000477063636 515311234 /nfs/dbraw/zinc/31/12/34/515311234.db2.gz IYIQBYVLFQCCMA-IBGZPJMESA-N 1 2 363.392 2.994 20 30 FFEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+](Cc3ccc(F)cc3)C3CC3)C2=O)cc1 ZINC000477063636 515311245 /nfs/dbraw/zinc/31/12/45/515311245.db2.gz IYIQBYVLFQCCMA-IBGZPJMESA-N 1 2 363.392 2.994 20 30 FFEDLO C=CCC[C@H](CO)NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000456764579 515409849 /nfs/dbraw/zinc/40/98/49/515409849.db2.gz INCHQTUMIHRVAD-QGZVFWFLSA-N 1 2 369.465 2.600 20 30 FFEDLO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459323610 515470630 /nfs/dbraw/zinc/47/06/30/515470630.db2.gz JOTFXFAVTSOZDZ-AWEZNQCLSA-N 1 2 358.442 2.839 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000468766890 515510910 /nfs/dbraw/zinc/51/09/10/515510910.db2.gz AYYPLTGZAXCBIF-JKSUJKDBSA-N 1 2 374.916 2.970 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)C1=O ZINC000499936507 515521048 /nfs/dbraw/zinc/52/10/48/515521048.db2.gz AAHAEXOQQVGMDD-YLJYHZDGSA-N 1 2 369.509 2.532 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)C1=O ZINC000499936507 515521055 /nfs/dbraw/zinc/52/10/55/515521055.db2.gz AAHAEXOQQVGMDD-YLJYHZDGSA-N 1 2 369.509 2.532 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2cccc3ccccc32)C1=O ZINC000499937980 515523325 /nfs/dbraw/zinc/52/33/25/515523325.db2.gz INXNZWGRDXVECP-BEFAXECRSA-N 1 2 351.450 2.886 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2cccc3ccccc32)C1=O ZINC000499937980 515523331 /nfs/dbraw/zinc/52/33/31/515523331.db2.gz INXNZWGRDXVECP-BEFAXECRSA-N 1 2 351.450 2.886 20 30 FFEDLO Cc1c(C#N)cccc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000510466636 515547758 /nfs/dbraw/zinc/54/77/58/515547758.db2.gz YRCMKBWJLLLYAR-HUUCEWRRSA-N 1 2 364.449 2.805 20 30 FFEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)OC)n1)Cc1ccc(OC)cc1 ZINC000468892320 515569479 /nfs/dbraw/zinc/56/94/79/515569479.db2.gz IQZMYZPPGDCPSK-UHFFFAOYSA-N 1 2 369.421 2.504 20 30 FFEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)OC)n1)Cc1ccc(OC)cc1 ZINC000468892320 515569489 /nfs/dbraw/zinc/56/94/89/515569489.db2.gz IQZMYZPPGDCPSK-UHFFFAOYSA-N 1 2 369.421 2.504 20 30 FFEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000468927237 515586258 /nfs/dbraw/zinc/58/62/58/515586258.db2.gz MDHLIUGDLHVHLE-LJQANCHMSA-N 1 2 373.497 2.531 20 30 FFEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000468927237 515586265 /nfs/dbraw/zinc/58/62/65/515586265.db2.gz MDHLIUGDLHVHLE-LJQANCHMSA-N 1 2 373.497 2.531 20 30 FFEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000510625200 515612900 /nfs/dbraw/zinc/61/29/00/515612900.db2.gz RCCQEOBMLBIBQD-QGZVFWFLSA-N 1 2 355.356 2.818 20 30 FFEDLO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000510625200 515612910 /nfs/dbraw/zinc/61/29/10/515612910.db2.gz RCCQEOBMLBIBQD-QGZVFWFLSA-N 1 2 355.356 2.818 20 30 FFEDLO Cc1c(C#N)cccc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000510763983 515660932 /nfs/dbraw/zinc/66/09/32/515660932.db2.gz CGJJLJQMEMMXTB-RTWAWAEBSA-N 1 2 361.445 2.592 20 30 FFEDLO Cc1c(C#N)cccc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000510763983 515660941 /nfs/dbraw/zinc/66/09/41/515660941.db2.gz CGJJLJQMEMMXTB-RTWAWAEBSA-N 1 2 361.445 2.592 20 30 FFEDLO O=C(NCC#Cc1cccc(F)c1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000510866957 515694878 /nfs/dbraw/zinc/69/48/78/515694878.db2.gz NIIPPIDOZLAMPN-UHFFFAOYSA-N 1 2 352.413 2.672 20 30 FFEDLO N#CC1(F)CC[NH+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000510899557 515707404 /nfs/dbraw/zinc/70/74/04/515707404.db2.gz AJQWAJLWDSIFEK-UHFFFAOYSA-N 1 2 359.323 2.529 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000469451094 515823234 /nfs/dbraw/zinc/82/32/34/515823234.db2.gz XULRPAXIBZYLLZ-INIZCTEOSA-N 1 2 355.388 2.942 20 30 FFEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000469451094 515823241 /nfs/dbraw/zinc/82/32/41/515823241.db2.gz XULRPAXIBZYLLZ-INIZCTEOSA-N 1 2 355.388 2.942 20 30 FFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1cc(C#N)ccc1OCCOC ZINC000455128065 515979798 /nfs/dbraw/zinc/97/97/98/515979798.db2.gz IVUBQCAHRCIRRA-CYBMUJFWSA-N 1 2 357.414 2.683 20 30 FFEDLO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1cccc(C#N)c1 ZINC000501191319 516012254 /nfs/dbraw/zinc/01/22/54/516012254.db2.gz HELLUBKNOCAFQW-IRXDYDNUSA-N 1 2 369.490 2.842 20 30 FFEDLO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1cccc(C#N)c1 ZINC000501191319 516012265 /nfs/dbraw/zinc/01/22/65/516012265.db2.gz HELLUBKNOCAFQW-IRXDYDNUSA-N 1 2 369.490 2.842 20 30 FFEDLO CC#CCCNC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000483287967 516018734 /nfs/dbraw/zinc/01/87/34/516018734.db2.gz YVZRFCJLOYXART-DOTOQJQBSA-N 1 2 353.388 2.952 20 30 FFEDLO CC#CCCNC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000483287967 516018743 /nfs/dbraw/zinc/01/87/43/516018743.db2.gz YVZRFCJLOYXART-DOTOQJQBSA-N 1 2 353.388 2.952 20 30 FFEDLO CCOc1cc(C[N@H+](CC)C[C@@H](C)C#N)nc2nc(C(F)(F)F)nn21 ZINC000478970856 516023526 /nfs/dbraw/zinc/02/35/26/516023526.db2.gz FXIRRDBBDWUPGF-JTQLQIEISA-N 1 2 356.352 2.523 20 30 FFEDLO CCOc1cc(C[N@@H+](CC)C[C@@H](C)C#N)nc2nc(C(F)(F)F)nn21 ZINC000478970856 516023534 /nfs/dbraw/zinc/02/35/34/516023534.db2.gz FXIRRDBBDWUPGF-JTQLQIEISA-N 1 2 356.352 2.523 20 30 FFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000469999883 516071199 /nfs/dbraw/zinc/07/11/99/516071199.db2.gz OMUASEQOGQPBRY-HNNXBMFYSA-N 1 2 363.808 2.858 20 30 FFEDLO CNC(=O)C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000483423536 516084693 /nfs/dbraw/zinc/08/46/93/516084693.db2.gz ZNHWTEUETHBIAI-KRWDZBQOSA-N 1 2 361.405 2.575 20 30 FFEDLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507202613 516123535 /nfs/dbraw/zinc/12/35/35/516123535.db2.gz HGRXJPBRSXIFJD-IXDOHACOSA-N 1 2 372.488 2.712 20 30 FFEDLO C[C@H]1Cc2ccccc2N1C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507277249 516152162 /nfs/dbraw/zinc/15/21/62/516152162.db2.gz IXWBCJXCJKIAFC-KRWDZBQOSA-N 1 2 360.461 2.658 20 30 FFEDLO CCc1nocc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000507331685 516176884 /nfs/dbraw/zinc/17/68/84/516176884.db2.gz VUMIFAUYEMPIGK-UHFFFAOYSA-N 1 2 353.382 2.679 20 30 FFEDLO N#Cc1cccc(C[NH+]2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)c1 ZINC000495500726 516182096 /nfs/dbraw/zinc/18/20/96/516182096.db2.gz AWQGUFBWTMEREG-LJQANCHMSA-N 1 2 368.868 2.556 20 30 FFEDLO N#Cc1ccc(OC2C[NH+](C[C@H](O)COc3ccc(Cl)cc3)C2)cc1 ZINC000460596885 516198326 /nfs/dbraw/zinc/19/83/26/516198326.db2.gz LIHPJRMHGQPTCR-INIZCTEOSA-N 1 2 358.825 2.715 20 30 FFEDLO N#CC1(CS(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)CCCCC1 ZINC000547471825 516357786 /nfs/dbraw/zinc/35/77/86/516357786.db2.gz PLWRKRSBRAJDKW-UHFFFAOYSA-N 1 2 358.467 2.970 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000528348430 516368072 /nfs/dbraw/zinc/36/80/72/516368072.db2.gz GYMGOQBERPXKBT-UYAOXDASSA-N 1 2 356.397 2.511 20 30 FFEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000528348430 516368083 /nfs/dbraw/zinc/36/80/83/516368083.db2.gz GYMGOQBERPXKBT-UYAOXDASSA-N 1 2 356.397 2.511 20 30 FFEDLO C=CCN(Cc1cc(OC)cc(C)[nH+]1)S(=O)(=O)c1ccc(OC)cc1 ZINC000535513214 516382116 /nfs/dbraw/zinc/38/21/16/516382116.db2.gz GRBUKBIHMPNQDY-UHFFFAOYSA-N 1 2 362.451 2.784 20 30 FFEDLO Cc1cc[nH+]cc1N1CCN(c2nc3cc(Cl)ccn3c2C#N)CC1 ZINC000561322265 516522219 /nfs/dbraw/zinc/52/22/19/516522219.db2.gz ZMSOILBTLHEOTR-UHFFFAOYSA-N 1 2 352.829 2.889 20 30 FFEDLO COc1ccc(C[N@H+](CCC(C)(C)C#N)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000557965795 516526328 /nfs/dbraw/zinc/52/63/28/516526328.db2.gz DUZUMENBPXCSBL-MRXNPFEDSA-N 1 2 350.484 2.624 20 30 FFEDLO COc1ccc(C[N@@H+](CCC(C)(C)C#N)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000557965795 516526333 /nfs/dbraw/zinc/52/63/33/516526333.db2.gz DUZUMENBPXCSBL-MRXNPFEDSA-N 1 2 350.484 2.624 20 30 FFEDLO C=C(C)[C@H](CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OCC ZINC000535904381 516550523 /nfs/dbraw/zinc/55/05/23/516550523.db2.gz DVFFXZSNSOFBRY-KRWDZBQOSA-N 1 2 360.502 2.928 20 30 FFEDLO Cc1ccc(OCC(=O)N2CC[NH+](Cc3ccc(CC#N)cc3)CC2)cc1 ZINC000544061378 516565086 /nfs/dbraw/zinc/56/50/86/516565086.db2.gz IWFGOYUIEPCUJA-UHFFFAOYSA-N 1 2 363.461 2.784 20 30 FFEDLO COC(=O)c1cccc(C[NH2+][C@H](c2ccccc2)[C@@H](C)C(=O)OC)c1C#N ZINC000535963072 516571754 /nfs/dbraw/zinc/57/17/54/516571754.db2.gz IKEUMZNMJPQNQR-KUHUBIRLSA-N 1 2 366.417 2.985 20 30 FFEDLO COC(=O)c1cccc(C[NH2+][C@@H](CO)c2cccc(Cl)c2F)c1C#N ZINC000531701647 516601828 /nfs/dbraw/zinc/60/18/28/516601828.db2.gz AWQZCAANBABORY-INIZCTEOSA-N 1 2 362.788 2.961 20 30 FFEDLO CC1CC(C#N)(C(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)C1 ZINC000548020065 516707958 /nfs/dbraw/zinc/70/79/58/516707958.db2.gz RMMWZEPWWNNRKZ-NGEICVOHSA-N 1 2 354.454 2.601 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000551526748 516745769 /nfs/dbraw/zinc/74/57/69/516745769.db2.gz VDRNIKULKLWCOE-LJQANCHMSA-N 1 2 350.422 2.744 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000524598953 516764169 /nfs/dbraw/zinc/76/41/69/516764169.db2.gz TYCQDPYBKGQYSF-TZMCWYRMSA-N 1 2 355.360 2.929 20 30 FFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000524598953 516764177 /nfs/dbraw/zinc/76/41/77/516764177.db2.gz TYCQDPYBKGQYSF-TZMCWYRMSA-N 1 2 355.360 2.929 20 30 FFEDLO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C)(C#N)CC3)C2=O)cc1 ZINC000540930346 516778482 /nfs/dbraw/zinc/77/84/82/516778482.db2.gz JQZWTJTYKVNENY-QGZVFWFLSA-N 1 2 355.438 2.733 20 30 FFEDLO C=CCOc1ccc(CN2CC[NH+](Cc3cnn(C)c3)CC2)cc1Cl ZINC000536683243 516890920 /nfs/dbraw/zinc/89/09/20/516890920.db2.gz JVFJUJZXIXFJTP-UHFFFAOYSA-N 1 2 360.889 2.956 20 30 FFEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3cnn(C)c3)CC2)cc1Cl ZINC000536683243 516890923 /nfs/dbraw/zinc/89/09/23/516890923.db2.gz JVFJUJZXIXFJTP-UHFFFAOYSA-N 1 2 360.889 2.956 20 30 FFEDLO CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C)C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541156648 516904944 /nfs/dbraw/zinc/90/49/44/516904944.db2.gz JXOBQBVNSSBSTM-JMPLFQLZSA-N 1 2 354.376 2.698 20 30 FFEDLO CC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C)C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541156648 516904951 /nfs/dbraw/zinc/90/49/51/516904951.db2.gz JXOBQBVNSSBSTM-JMPLFQLZSA-N 1 2 354.376 2.698 20 30 FFEDLO Cc1ccsc1CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000536889769 516965413 /nfs/dbraw/zinc/96/54/13/516965413.db2.gz NRJZAZIUOXSLCF-UHFFFAOYSA-N 1 2 368.506 2.998 20 30 FFEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)NC3CCCCC3)CC2)cc1 ZINC000532664084 517088260 /nfs/dbraw/zinc/08/82/60/517088260.db2.gz IQCAEAGHAXPBTP-UHFFFAOYSA-N 1 2 356.470 2.597 20 30 FFEDLO COCCOc1ccccc1N1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000532744095 517124367 /nfs/dbraw/zinc/12/43/67/517124367.db2.gz DVPAQIVUIWVXEX-UHFFFAOYSA-N 1 2 351.450 2.906 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)OC3(CCC3)C2)cc1 ZINC000514936968 517134229 /nfs/dbraw/zinc/13/42/29/517134229.db2.gz ZUBMJCVLLZETHM-KRWDZBQOSA-N 1 2 371.481 2.975 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)OC3(CCC3)C2)cc1 ZINC000514936968 517134235 /nfs/dbraw/zinc/13/42/35/517134235.db2.gz ZUBMJCVLLZETHM-KRWDZBQOSA-N 1 2 371.481 2.975 20 30 FFEDLO COCCOc1ccc(C#N)cc1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000519721731 517145720 /nfs/dbraw/zinc/14/57/20/517145720.db2.gz HIDBKTZBYYFJEK-UHFFFAOYSA-N 1 2 351.366 2.875 20 30 FFEDLO CC(C)c1[nH+]c2ccccc2n1Cc1noc([C@H](C)n2cnc(C#N)n2)n1 ZINC000519738550 517154103 /nfs/dbraw/zinc/15/41/03/517154103.db2.gz ZPJQFAVEVPPVSL-LBPRGKRZSA-N 1 2 362.397 2.663 20 30 FFEDLO COc1cc(C#N)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000545297600 517157725 /nfs/dbraw/zinc/15/77/25/517157725.db2.gz WCODVNPPWMOAEF-UHFFFAOYSA-N 1 2 363.333 2.913 20 30 FFEDLO Cc1noc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)n1 ZINC000541650764 517157984 /nfs/dbraw/zinc/15/79/84/517157984.db2.gz XISGHTKVEKMMCL-VXGBXAGGSA-N 1 2 359.455 2.919 20 30 FFEDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)o1 ZINC000541686847 517173363 /nfs/dbraw/zinc/17/33/63/517173363.db2.gz LZUZVPBBPHGZHN-CABCVRRESA-N 1 2 355.442 2.981 20 30 FFEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc[nH+]c(C)c1Br ZINC000525870705 517208949 /nfs/dbraw/zinc/20/89/49/517208949.db2.gz AOCKLWJNUAFKHG-UHFFFAOYSA-N 1 2 366.240 2.555 20 30 FFEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)ccc1Cl ZINC000537581495 517241677 /nfs/dbraw/zinc/24/16/77/517241677.db2.gz UDLSEQWDGUYRDF-UHFFFAOYSA-N 1 2 355.825 2.875 20 30 FFEDLO C=C(C)COc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)ccc1OC ZINC000529671676 517275791 /nfs/dbraw/zinc/27/57/91/517275791.db2.gz IIJNDHQUEFEZBE-SJORKVTESA-N 1 2 365.495 2.802 20 30 FFEDLO C=C(C)COc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)ccc1OC ZINC000529671676 517275802 /nfs/dbraw/zinc/27/58/02/517275802.db2.gz IIJNDHQUEFEZBE-SJORKVTESA-N 1 2 365.495 2.802 20 30 FFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000552561446 517305977 /nfs/dbraw/zinc/30/59/77/517305977.db2.gz LSCJBOWXBCPKEV-UHFFFAOYSA-N 1 2 364.424 2.781 20 30 FFEDLO CCc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000533238527 517358993 /nfs/dbraw/zinc/35/89/93/517358993.db2.gz RTMSVYPGDFWXIG-MGPUTAFESA-N 1 2 358.486 2.562 20 30 FFEDLO CCc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000533238527 517359001 /nfs/dbraw/zinc/35/90/01/517359001.db2.gz RTMSVYPGDFWXIG-MGPUTAFESA-N 1 2 358.486 2.562 20 30 FFEDLO COCc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc1C#N ZINC000529815639 517360629 /nfs/dbraw/zinc/36/06/29/517360629.db2.gz HVSOKMGQHODKFT-IBGZPJMESA-N 1 2 350.422 2.703 20 30 FFEDLO COCc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cc1C#N ZINC000529815639 517360635 /nfs/dbraw/zinc/36/06/35/517360635.db2.gz HVSOKMGQHODKFT-IBGZPJMESA-N 1 2 350.422 2.703 20 30 FFEDLO COCc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000529816513 517362087 /nfs/dbraw/zinc/36/20/87/517362087.db2.gz NTNYWMGMHLBVLO-HXUWFJFHSA-N 1 2 365.433 2.544 20 30 FFEDLO COCc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000529816513 517362094 /nfs/dbraw/zinc/36/20/94/517362094.db2.gz NTNYWMGMHLBVLO-HXUWFJFHSA-N 1 2 365.433 2.544 20 30 FFEDLO Cc1cc(C)nc(N2CC[NH+](Cc3ccc(C#N)cc3OC(F)F)CC2)n1 ZINC000542124763 517393607 /nfs/dbraw/zinc/39/36/07/517393607.db2.gz QLTNTOOFZRKCQZ-UHFFFAOYSA-N 1 2 373.407 2.889 20 30 FFEDLO Cc1cc(NCCNC(=O)c2ccc(C(C)(C)C#N)cc2)nc(C(C)C)[nH+]1 ZINC000529845715 517398310 /nfs/dbraw/zinc/39/83/10/517398310.db2.gz QRBVQLLRZDSGQP-UHFFFAOYSA-N 1 2 365.481 2.973 20 30 FFEDLO C=CCc1ccc(OCC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c(OC)c1 ZINC000552928026 517446757 /nfs/dbraw/zinc/44/67/57/517446757.db2.gz OJJFBUGRXOBOIB-IBGZPJMESA-N 1 2 355.438 2.804 20 30 FFEDLO N#Cc1cccc(CNC(=O)CN2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000533422168 517455970 /nfs/dbraw/zinc/45/59/70/517455970.db2.gz GUKBVOCLHLNARF-YHYXMXQVSA-N 1 2 374.488 2.505 20 30 FFEDLO N#Cc1cccc(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c1F ZINC000538096834 517463566 /nfs/dbraw/zinc/46/35/66/517463566.db2.gz VBPHFGDZXUJZSE-UHFFFAOYSA-N 1 2 367.424 2.786 20 30 FFEDLO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000562932912 517510588 /nfs/dbraw/zinc/51/05/88/517510588.db2.gz ZEGAXQYAGVISDQ-OAHLLOKOSA-N 1 2 360.421 2.886 20 30 FFEDLO N#CC1(CS(=O)(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CCCC1 ZINC000546092677 517540533 /nfs/dbraw/zinc/54/05/33/517540533.db2.gz VNWQYUKLUFIJQY-UHFFFAOYSA-N 1 2 362.499 2.575 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000527190826 517550079 /nfs/dbraw/zinc/55/00/79/517550079.db2.gz UAHLJTOADJQHBJ-LVCYWYKZSA-N 1 2 368.525 2.932 20 30 FFEDLO Cc1cc(C#N)cnc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000556695618 517578258 /nfs/dbraw/zinc/57/82/58/517578258.db2.gz IIKQMDRQUJRBLY-FUHWJXTLSA-N 1 2 356.376 2.715 20 30 FFEDLO Cc1cc(C#N)cnc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000556695618 517578270 /nfs/dbraw/zinc/57/82/70/517578270.db2.gz IIKQMDRQUJRBLY-FUHWJXTLSA-N 1 2 356.376 2.715 20 30 FFEDLO C=CCCOCCNC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000533866485 517648673 /nfs/dbraw/zinc/64/86/73/517648673.db2.gz HVPJKHIAJHBZEE-UHFFFAOYSA-N 1 2 361.486 2.505 20 30 FFEDLO N#Cc1ccc(N2CCC(C(=O)NCCCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000556837880 517694954 /nfs/dbraw/zinc/69/49/54/517694954.db2.gz UKPYTIACZHIFJI-UHFFFAOYSA-N 1 2 369.444 2.707 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000563349988 517839995 /nfs/dbraw/zinc/83/99/95/517839995.db2.gz KEIWBJPTYMMGTH-SFHVURJKSA-N 1 2 350.422 2.873 20 30 FFEDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000563349988 517840003 /nfs/dbraw/zinc/84/00/03/517840003.db2.gz KEIWBJPTYMMGTH-SFHVURJKSA-N 1 2 350.422 2.873 20 30 FFEDLO CC#CC[N@H+](C)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000550127786 517876369 /nfs/dbraw/zinc/87/63/69/517876369.db2.gz KRKKSZKBCABVHB-HXUWFJFHSA-N 1 2 350.418 2.728 20 30 FFEDLO CC#CC[N@@H+](C)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000550127786 517876381 /nfs/dbraw/zinc/87/63/81/517876381.db2.gz KRKKSZKBCABVHB-HXUWFJFHSA-N 1 2 350.418 2.728 20 30 FFEDLO N#Cc1ccc(CN2CC[NH+](Cc3cccnc3)CC2)c(OC(F)F)c1 ZINC000539147519 517935106 /nfs/dbraw/zinc/93/51/06/517935106.db2.gz PZRAZOLQNJPORK-UHFFFAOYSA-N 1 2 358.392 2.872 20 30 FFEDLO C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]Cc2nc(C#N)cs2)C1=O ZINC000550290862 517975596 /nfs/dbraw/zinc/97/55/96/517975596.db2.gz COPPQVXBRCYOLY-WBMJQRKESA-N 1 2 358.442 2.996 20 30 FFEDLO CC#CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCOC(C)(C)C1 ZINC000534941743 518090987 /nfs/dbraw/zinc/09/09/87/518090987.db2.gz BGRMJYNCLXEUIK-KRWDZBQOSA-N 1 2 363.889 2.814 20 30 FFEDLO CC#CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCOC(C)(C)C1 ZINC000534941743 518091002 /nfs/dbraw/zinc/09/10/02/518091002.db2.gz BGRMJYNCLXEUIK-KRWDZBQOSA-N 1 2 363.889 2.814 20 30 FFEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3ccc(C#N)nc3)n2)C1 ZINC000528142280 518115378 /nfs/dbraw/zinc/11/53/78/518115378.db2.gz WUEXKMMMNMVDMO-ZDUSSCGKSA-N 1 2 355.467 2.823 20 30 FFEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3ccc(C#N)nc3)n2)C1 ZINC000528142280 518115388 /nfs/dbraw/zinc/11/53/88/518115388.db2.gz WUEXKMMMNMVDMO-ZDUSSCGKSA-N 1 2 355.467 2.823 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000543548521 518134268 /nfs/dbraw/zinc/13/42/68/518134268.db2.gz UQPQBYWRQRIRRB-XEKQOVJPSA-N 1 2 373.432 2.969 20 30 FFEDLO N#Cc1csc(C[NH+]2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000535068405 518144006 /nfs/dbraw/zinc/14/40/06/518144006.db2.gz CSBIKPCIGDZXHR-UHFFFAOYSA-N 1 2 355.463 2.709 20 30 FFEDLO N#Cc1csc(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000535068405 518144014 /nfs/dbraw/zinc/14/40/14/518144014.db2.gz CSBIKPCIGDZXHR-UHFFFAOYSA-N 1 2 355.463 2.709 20 30 FFEDLO N#Cc1cc(F)c(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c(F)c1 ZINC000522775996 518161952 /nfs/dbraw/zinc/16/19/52/518161952.db2.gz HGZGYFMGSKUIIP-UHFFFAOYSA-N 1 2 371.387 2.930 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c1 ZINC000563853358 518204109 /nfs/dbraw/zinc/20/41/09/518204109.db2.gz GVNASZNNXHTQMS-OAHLLOKOSA-N 1 2 362.271 2.908 20 30 FFEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)c1 ZINC000563853358 518204111 /nfs/dbraw/zinc/20/41/11/518204111.db2.gz GVNASZNNXHTQMS-OAHLLOKOSA-N 1 2 362.271 2.908 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000566831860 518221318 /nfs/dbraw/zinc/22/13/18/518221318.db2.gz DUBMJLNKDQDARG-SFHVURJKSA-N 1 2 362.380 2.512 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(NC(=O)c2cccs2)cc1 ZINC000563953268 518245599 /nfs/dbraw/zinc/24/55/99/518245599.db2.gz GFOXOOQEDHESTG-INIZCTEOSA-N 1 2 358.467 2.619 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(NC(=O)c2cccs2)cc1 ZINC000563953268 518245605 /nfs/dbraw/zinc/24/56/05/518245605.db2.gz GFOXOOQEDHESTG-INIZCTEOSA-N 1 2 358.467 2.619 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000572595582 518265961 /nfs/dbraw/zinc/26/59/61/518265961.db2.gz OJEJBKWLEFNAKL-BCHFMIIMSA-N 1 2 371.506 2.613 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000572595582 518265967 /nfs/dbraw/zinc/26/59/67/518265967.db2.gz OJEJBKWLEFNAKL-BCHFMIIMSA-N 1 2 371.506 2.613 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@@H]2c2ccccc2)nc1 ZINC000584373785 518307838 /nfs/dbraw/zinc/30/78/38/518307838.db2.gz CTENWIGNYTUALL-GOSISDBHSA-N 1 2 355.463 2.954 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCC[C@@H]2c2ccccc2)nc1 ZINC000584373785 518307845 /nfs/dbraw/zinc/30/78/45/518307845.db2.gz CTENWIGNYTUALL-GOSISDBHSA-N 1 2 355.463 2.954 20 30 FFEDLO Cc1cccc(-c2noc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)n2)c1 ZINC000564150025 518324300 /nfs/dbraw/zinc/32/43/00/518324300.db2.gz JNDMZEHOZGCHJX-KRWDZBQOSA-N 1 2 361.405 2.965 20 30 FFEDLO Cc1cccc(-c2noc(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)n2)c1 ZINC000564150025 518324306 /nfs/dbraw/zinc/32/43/06/518324306.db2.gz JNDMZEHOZGCHJX-KRWDZBQOSA-N 1 2 361.405 2.965 20 30 FFEDLO C=C(C)Cn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1[C@@]1(C)CCCO1 ZINC000572951788 518435525 /nfs/dbraw/zinc/43/55/25/518435525.db2.gz IKOHTBKZTHAELV-HXUWFJFHSA-N 1 2 368.485 2.601 20 30 FFEDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000579024984 518486579 /nfs/dbraw/zinc/48/65/79/518486579.db2.gz UUIHDSXLGMABHV-UHFFFAOYSA-N 1 2 357.845 2.520 20 30 FFEDLO C[N@H+](Cc1nc(C#N)cs1)[C@@H](CO)c1cccc(Br)c1 ZINC000564527623 518487424 /nfs/dbraw/zinc/48/74/24/518487424.db2.gz DJZMYPBJXRXDSC-ZDUSSCGKSA-N 1 2 352.257 2.943 20 30 FFEDLO C[N@@H+](Cc1nc(C#N)cs1)[C@@H](CO)c1cccc(Br)c1 ZINC000564527623 518487430 /nfs/dbraw/zinc/48/74/30/518487430.db2.gz DJZMYPBJXRXDSC-ZDUSSCGKSA-N 1 2 352.257 2.943 20 30 FFEDLO CCCOc1cc(O)ccc1[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000570202832 518492524 /nfs/dbraw/zinc/49/25/24/518492524.db2.gz SBMWDRUCQUCLPM-UHFFFAOYSA-N 1 2 360.435 2.938 20 30 FFEDLO Cc1cc(C#N)cnc1-c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000579383463 518655672 /nfs/dbraw/zinc/65/56/72/518655672.db2.gz VJHXLHALSJQJJL-QGZVFWFLSA-N 1 2 361.405 2.885 20 30 FFEDLO Cc1cc(C#N)cnc1-c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000579383463 518655682 /nfs/dbraw/zinc/65/56/82/518655682.db2.gz VJHXLHALSJQJJL-QGZVFWFLSA-N 1 2 361.405 2.885 20 30 FFEDLO COc1ccc2nc(C3CC3)cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2c1 ZINC000576640133 518688565 /nfs/dbraw/zinc/68/85/65/518688565.db2.gz GDSNGSJGPCXGMZ-HXUWFJFHSA-N 1 2 352.438 2.694 20 30 FFEDLO CN(C)c1[nH+]cccc1N(C)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000582377618 518723974 /nfs/dbraw/zinc/72/39/74/518723974.db2.gz RFJWGAUYXKFTOE-HNNXBMFYSA-N 1 2 367.428 2.648 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000573603780 518747773 /nfs/dbraw/zinc/74/77/73/518747773.db2.gz QFMJMWJZHPPWES-YVEFUNNKSA-N 1 2 365.886 2.747 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000573603780 518747779 /nfs/dbraw/zinc/74/77/79/518747779.db2.gz QFMJMWJZHPPWES-YVEFUNNKSA-N 1 2 365.886 2.747 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000573615141 518752397 /nfs/dbraw/zinc/75/23/97/518752397.db2.gz UACRFXKMYYFODX-LZWOXQAQSA-N 1 2 350.260 2.513 20 30 FFEDLO C=C[C@@H]1CCCCN1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000579787307 518850054 /nfs/dbraw/zinc/85/00/54/518850054.db2.gz OUXQRIFHYDVBOC-LJQANCHMSA-N 1 2 370.497 2.840 20 30 FFEDLO Cc1c[nH]c(C(C)(C)NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)[nH+]1 ZINC000568069906 518857348 /nfs/dbraw/zinc/85/73/48/518857348.db2.gz SUYFLEICCXWCOF-UHFFFAOYSA-N 1 2 369.444 2.997 20 30 FFEDLO C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000582704166 518879933 /nfs/dbraw/zinc/87/99/33/518879933.db2.gz SQURLFYYHLDLHD-INIZCTEOSA-N 1 2 373.888 2.506 20 30 FFEDLO C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000582704166 518879939 /nfs/dbraw/zinc/87/99/39/518879939.db2.gz SQURLFYYHLDLHD-INIZCTEOSA-N 1 2 373.888 2.506 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1ccc(C#N)cc1C ZINC000582755988 518905615 /nfs/dbraw/zinc/90/56/15/518905615.db2.gz GZWQGNOIWFHZFH-UHFFFAOYSA-N 1 2 354.435 2.503 20 30 FFEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000568175209 518907267 /nfs/dbraw/zinc/90/72/67/518907267.db2.gz VVMVPUZNWXPAGA-UHFFFAOYSA-N 1 2 367.424 2.963 20 30 FFEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N[C@@H](C#N)c1ccc(F)cc1)C(F)(F)F ZINC000565372388 518922971 /nfs/dbraw/zinc/92/29/71/518922971.db2.gz WJWIUOGFSFAIGL-OLZOCXBDSA-N 1 2 354.307 2.976 20 30 FFEDLO C[C@@H](c1cccc(NC(=O)c2cc(O)cc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000589180062 518942877 /nfs/dbraw/zinc/94/28/77/518942877.db2.gz ULBZDNDFVOGMRY-AWEZNQCLSA-N 1 2 351.406 2.909 20 30 FFEDLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000589300450 518975475 /nfs/dbraw/zinc/97/54/75/518975475.db2.gz COECYGLATHATJX-YWZLYKJASA-N 1 2 355.482 2.985 20 30 FFEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000589300450 518975477 /nfs/dbraw/zinc/97/54/77/518975477.db2.gz COECYGLATHATJX-YWZLYKJASA-N 1 2 355.482 2.985 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000568500110 519070960 /nfs/dbraw/zinc/07/09/60/519070960.db2.gz CLGUZKLRQKOVRP-ZFWWWQNUSA-N 1 2 350.488 2.842 20 30 FFEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1ncc(C(F)(F)F)cn1 ZINC000565770174 519123703 /nfs/dbraw/zinc/12/37/03/519123703.db2.gz IQWGQNLBXOUUKX-HNNXBMFYSA-N 1 2 367.371 2.753 20 30 FFEDLO CCOC(=O)c1sc2[nH]c([C@@H](C)[NH2+][C@@H](CC)CC#N)nc(=O)c2c1C ZINC000577646580 519185357 /nfs/dbraw/zinc/18/53/57/519185357.db2.gz PEWQNPFWTCCHEN-MNOVXSKESA-N 1 2 362.455 2.813 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](Oc3ccccc3)C2)C1=O ZINC000571638184 519196121 /nfs/dbraw/zinc/19/61/21/519196121.db2.gz NMHGUAAGFHTXCQ-IRXDYDNUSA-N 1 2 353.447 2.878 20 30 FFEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H](Oc3ccccc3)C2)C1=O ZINC000571638184 519196129 /nfs/dbraw/zinc/19/61/29/519196129.db2.gz NMHGUAAGFHTXCQ-IRXDYDNUSA-N 1 2 353.447 2.878 20 30 FFEDLO N#Cc1csc(C[NH+]2CCC(n3cc(Br)cn3)CC2)n1 ZINC000580491502 519201387 /nfs/dbraw/zinc/20/13/87/519201387.db2.gz MYLUVYJGKXHDLK-UHFFFAOYSA-N 1 2 352.261 2.811 20 30 FFEDLO C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000568769004 519206702 /nfs/dbraw/zinc/20/67/02/519206702.db2.gz OADIFVBSKRBEFA-MLGOLLRUSA-N 1 2 352.276 2.588 20 30 FFEDLO CC(C)c1nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1-c1ccccc1Cl ZINC000566308844 519426250 /nfs/dbraw/zinc/42/62/50/519426250.db2.gz KPTROMXVKZNRHV-GOSISDBHSA-N 1 2 374.876 2.618 20 30 FFEDLO N#Cc1ccc(CN(CC[NH+]2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000578196399 519468480 /nfs/dbraw/zinc/46/84/80/519468480.db2.gz GEYNBEKVXSGEJH-UHFFFAOYSA-N 1 2 366.421 2.805 20 30 FFEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000591015735 519477995 /nfs/dbraw/zinc/47/79/95/519477995.db2.gz LRKVFOBDPPRWIN-CQSZACIVSA-N 1 2 374.510 2.935 20 30 FFEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000591015735 519477997 /nfs/dbraw/zinc/47/79/97/519477997.db2.gz LRKVFOBDPPRWIN-CQSZACIVSA-N 1 2 374.510 2.935 20 30 FFEDLO COC(=O)[C@]1(C)CCC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000591055402 519492956 /nfs/dbraw/zinc/49/29/56/519492956.db2.gz RYSWNCXIIASVTK-HXUWFJFHSA-N 1 2 352.438 2.828 20 30 FFEDLO COC(=O)[C@]1(C)CCC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000591055402 519492964 /nfs/dbraw/zinc/49/29/64/519492964.db2.gz RYSWNCXIIASVTK-HXUWFJFHSA-N 1 2 352.438 2.828 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](c3cccnc3)C2)c1 ZINC000602852714 519926461 /nfs/dbraw/zinc/92/64/61/519926461.db2.gz GRPUGFLFDNSFGS-SFHVURJKSA-N 1 2 355.463 2.607 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H](c3cccnc3)C2)c1 ZINC000602852714 519926469 /nfs/dbraw/zinc/92/64/69/519926469.db2.gz GRPUGFLFDNSFGS-SFHVURJKSA-N 1 2 355.463 2.607 20 30 FFEDLO CC(C)[C@H](NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc(F)cc1 ZINC000602856534 519929133 /nfs/dbraw/zinc/92/91/33/519929133.db2.gz KFBGYMSSNIQFNE-YRNRMSPPSA-N 1 2 360.477 2.557 20 30 FFEDLO CC(C)[C@H](NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc(F)cc1 ZINC000602856534 519929140 /nfs/dbraw/zinc/92/91/40/519929140.db2.gz KFBGYMSSNIQFNE-YRNRMSPPSA-N 1 2 360.477 2.557 20 30 FFEDLO Cc1cc(F)ccc1N1CCC[C@H]([NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)C1=O ZINC000602859135 519931114 /nfs/dbraw/zinc/93/11/14/519931114.db2.gz WNCUTILXFGWXQC-MDZRGWNJSA-N 1 2 358.461 2.548 20 30 FFEDLO C[C@@H]1C[NH+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)C[C@@H](C)N1CC#N ZINC000602864943 519935215 /nfs/dbraw/zinc/93/52/15/519935215.db2.gz RDSHPXHIQLTDDT-RKVPGOIHSA-N 1 2 362.543 2.870 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H](C)N1CC#N ZINC000602867256 519937143 /nfs/dbraw/zinc/93/71/43/519937143.db2.gz XRTMXWJEIQZOEK-TXEJJXNPSA-N 1 2 355.269 2.850 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H](C)N1CC#N ZINC000602867256 519937148 /nfs/dbraw/zinc/93/71/48/519937148.db2.gz XRTMXWJEIQZOEK-TXEJJXNPSA-N 1 2 355.269 2.850 20 30 FFEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000602868615 519937531 /nfs/dbraw/zinc/93/75/31/519937531.db2.gz JWWHYILVMHKENR-UWVGGRQHSA-N 1 2 357.195 2.510 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000602883921 519947966 /nfs/dbraw/zinc/94/79/66/519947966.db2.gz ZEVRNQFRVLXDHK-IBGZPJMESA-N 1 2 367.453 2.892 20 30 FFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000602883921 519947974 /nfs/dbraw/zinc/94/79/74/519947974.db2.gz ZEVRNQFRVLXDHK-IBGZPJMESA-N 1 2 367.453 2.892 20 30 FFEDLO N#Cc1ccccc1NC1CC[NH+](Cc2nnnn2Cc2ccccc2)CC1 ZINC000602900462 519960470 /nfs/dbraw/zinc/96/04/70/519960470.db2.gz XWEBEJPKMQDYCG-UHFFFAOYSA-N 1 2 373.464 2.670 20 30 FFEDLO CO[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 ZINC000602900612 519961215 /nfs/dbraw/zinc/96/12/15/519961215.db2.gz ZPUNDBMJNPCHRH-QGZVFWFLSA-N 1 2 363.483 2.522 20 30 FFEDLO CO[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 ZINC000602900612 519961220 /nfs/dbraw/zinc/96/12/20/519961220.db2.gz ZPUNDBMJNPCHRH-QGZVFWFLSA-N 1 2 363.483 2.522 20 30 FFEDLO Cn1ncc(Br)c1C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602904955 519962415 /nfs/dbraw/zinc/96/24/15/519962415.db2.gz BUVHPXUAMZXPKR-UHFFFAOYSA-N 1 2 360.259 2.829 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)Nc3cc(F)cc(C#N)c3)c[nH+]2)CCO1 ZINC000603080021 520067224 /nfs/dbraw/zinc/06/72/24/520067224.db2.gz HGJNQSOBFDOPLS-CYBMUJFWSA-N 1 2 369.400 2.639 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000594724598 520113278 /nfs/dbraw/zinc/11/32/78/520113278.db2.gz XKVKRPHBMLLGNO-LBPRGKRZSA-N 1 2 374.491 2.893 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000603271457 520190888 /nfs/dbraw/zinc/19/08/88/520190888.db2.gz NWIPADGATORSLB-UHFFFAOYSA-N 1 2 360.421 2.588 20 30 FFEDLO CC(C)(C)C[C@@H](NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccc(F)cc1 ZINC000592149655 520225501 /nfs/dbraw/zinc/22/55/01/520225501.db2.gz SZVPUBYZUJEJLM-XLIONFOSSA-N 1 2 361.461 2.770 20 30 FFEDLO CC(C)(C)C[C@@H](NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccc(F)cc1 ZINC000592149655 520225505 /nfs/dbraw/zinc/22/55/05/520225505.db2.gz SZVPUBYZUJEJLM-XLIONFOSSA-N 1 2 361.461 2.770 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000592149290 520225695 /nfs/dbraw/zinc/22/56/95/520225695.db2.gz MJMWTYFUMPWTKY-VQTJNVASSA-N 1 2 359.445 2.524 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000592149290 520225702 /nfs/dbraw/zinc/22/57/02/520225702.db2.gz MJMWTYFUMPWTKY-VQTJNVASSA-N 1 2 359.445 2.524 20 30 FFEDLO CC(C)c1ccc([C@@H](NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)C(C)C)cc1 ZINC000592148675 520225720 /nfs/dbraw/zinc/22/57/20/520225720.db2.gz YVVBDOCBHPZCJR-SFTDATJTSA-N 1 2 357.498 2.974 20 30 FFEDLO CC(C)c1ccc([C@@H](NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)C(C)C)cc1 ZINC000592148675 520225730 /nfs/dbraw/zinc/22/57/30/520225730.db2.gz YVVBDOCBHPZCJR-SFTDATJTSA-N 1 2 357.498 2.974 20 30 FFEDLO N#Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)c(F)c1 ZINC000609234316 520241510 /nfs/dbraw/zinc/24/15/10/520241510.db2.gz UBBYLUCYDAXSIM-HNNXBMFYSA-N 1 2 362.202 2.776 20 30 FFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)NCc1ccc(C#N)cc1F ZINC000609254631 520246017 /nfs/dbraw/zinc/24/60/17/520246017.db2.gz VZCPLSABPAFCKD-UHFFFAOYSA-N 1 2 369.322 2.798 20 30 FFEDLO N#Cc1ccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)nc1 ZINC000609344686 520288228 /nfs/dbraw/zinc/28/82/28/520288228.db2.gz LTSFYVLQMVESIF-UHFFFAOYSA-N 1 2 371.404 2.842 20 30 FFEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000609484597 520328925 /nfs/dbraw/zinc/32/89/25/520328925.db2.gz CBXANQSMBCCFCZ-YLJYHZDGSA-N 1 2 354.498 2.520 20 30 FFEDLO CCC[C@H](NC(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1)c1ccccc1 ZINC000609537528 520347899 /nfs/dbraw/zinc/34/78/99/520347899.db2.gz AFQKJNBESSFTSP-VQTJNVASSA-N 1 2 356.514 2.810 20 30 FFEDLO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609539009 520349580 /nfs/dbraw/zinc/34/95/80/520349580.db2.gz PVVLBEGBIQUQSA-MSOLQXFVSA-N 1 2 374.554 2.750 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000603784508 520359559 /nfs/dbraw/zinc/35/95/59/520359559.db2.gz FUKXGVPQNAZHNN-LQWHRVPQSA-N 1 2 368.525 2.759 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000603784508 520359562 /nfs/dbraw/zinc/35/95/62/520359562.db2.gz FUKXGVPQNAZHNN-LQWHRVPQSA-N 1 2 368.525 2.759 20 30 FFEDLO COC(=O)c1ccc(=[NH+]c2cccc(OCc3cccc(C#N)c3)c2)[nH]n1 ZINC000603855768 520378484 /nfs/dbraw/zinc/37/84/84/520378484.db2.gz PGQNGPQAQLZSLR-UHFFFAOYSA-N 1 2 360.373 2.879 20 30 FFEDLO CCn1cc(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)cn1 ZINC000609616918 520381374 /nfs/dbraw/zinc/38/13/74/520381374.db2.gz JXQJWCXVJSMCML-UHFFFAOYSA-N 1 2 359.861 2.935 20 30 FFEDLO CCn1cc(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)cn1 ZINC000609616918 520381385 /nfs/dbraw/zinc/38/13/85/520381385.db2.gz JXQJWCXVJSMCML-UHFFFAOYSA-N 1 2 359.861 2.935 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000604047539 520437860 /nfs/dbraw/zinc/43/78/60/520437860.db2.gz IUNNHSASNJZLCL-KGLIPLIRSA-N 1 2 361.408 2.761 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000604047539 520437865 /nfs/dbraw/zinc/43/78/65/520437865.db2.gz IUNNHSASNJZLCL-KGLIPLIRSA-N 1 2 361.408 2.761 20 30 FFEDLO N#CC1(CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCCCC1 ZINC000595424865 520462469 /nfs/dbraw/zinc/46/24/69/520462469.db2.gz IBXWSBCWMJMQQG-UHFFFAOYSA-N 1 2 370.497 2.792 20 30 FFEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000604172436 520468696 /nfs/dbraw/zinc/46/86/96/520468696.db2.gz ODNZBLLVGBEKAR-LJQANCHMSA-N 1 2 352.438 2.739 20 30 FFEDLO N#Cc1ccccc1OC1CCC(NC(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000610025579 520510539 /nfs/dbraw/zinc/51/05/39/520510539.db2.gz GOXUWIVLXKDUSS-UHFFFAOYSA-N 1 2 365.437 2.670 20 30 FFEDLO N#Cc1cccc(C2(NC(=O)Cc3cn4ccccc4[nH+]3)CCOCC2)c1 ZINC000598250541 520521480 /nfs/dbraw/zinc/52/14/80/520521480.db2.gz DQAJCINJJDFAFU-UHFFFAOYSA-N 1 2 360.417 2.571 20 30 FFEDLO N#CC[C@@H](CC(=O)N(CC[NH+]1CCOCC1)CC1CC1)c1ccccc1 ZINC000598343763 520565851 /nfs/dbraw/zinc/56/58/51/520565851.db2.gz XEYWFBBOBJYTSZ-FQEVSTJZSA-N 1 2 355.482 2.645 20 30 FFEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCCOCC2)c1C#N ZINC000604498489 520581140 /nfs/dbraw/zinc/58/11/40/520581140.db2.gz MTINHCYVCNJNOX-UHFFFAOYSA-N 1 2 370.428 2.766 20 30 FFEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCCOCC2)c1C#N ZINC000604498489 520581145 /nfs/dbraw/zinc/58/11/45/520581145.db2.gz MTINHCYVCNJNOX-UHFFFAOYSA-N 1 2 370.428 2.766 20 30 FFEDLO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000610216655 520585979 /nfs/dbraw/zinc/58/59/79/520585979.db2.gz CCMDBODRABLVMY-KNQAVFIVSA-N 1 2 366.461 2.874 20 30 FFEDLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000610216655 520585987 /nfs/dbraw/zinc/58/59/87/520585987.db2.gz CCMDBODRABLVMY-KNQAVFIVSA-N 1 2 366.461 2.874 20 30 FFEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633563 520610762 /nfs/dbraw/zinc/61/07/62/520610762.db2.gz ZQXXKZZDCSQCIH-UHFFFAOYSA-N 1 2 368.462 2.701 20 30 FFEDLO CCN(C(=O)C[NH+]1CCN(c2ccsc2C#N)CC1)C1CCCCC1 ZINC000595634016 520611321 /nfs/dbraw/zinc/61/13/21/520611321.db2.gz TVSBIPDPVMXFLQ-UHFFFAOYSA-N 1 2 360.527 2.923 20 30 FFEDLO N#Cc1ccc(N2CCC(Nc3[nH+]c(C4CC4)nc4[nH]ccc43)CC2)nc1 ZINC000601110689 520639723 /nfs/dbraw/zinc/63/97/23/520639723.db2.gz KLURXLZMIADRTJ-UHFFFAOYSA-N 1 2 359.437 2.605 20 30 FFEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000610496661 520715848 /nfs/dbraw/zinc/71/58/48/520715848.db2.gz IILPKRNOIICABX-IRXDYDNUSA-N 1 2 364.449 2.965 20 30 FFEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1ccc(Br)cc1 ZINC000610511734 520722379 /nfs/dbraw/zinc/72/23/79/520722379.db2.gz QVQXOXWREKEGLY-UHFFFAOYSA-N 1 2 354.248 2.640 20 30 FFEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1ccc(Br)cc1 ZINC000610511734 520722386 /nfs/dbraw/zinc/72/23/86/520722386.db2.gz QVQXOXWREKEGLY-UHFFFAOYSA-N 1 2 354.248 2.640 20 30 FFEDLO COCC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000598586555 520727919 /nfs/dbraw/zinc/72/79/19/520727919.db2.gz ILXNRKROUUGZMO-UHFFFAOYSA-N 1 2 355.482 2.799 20 30 FFEDLO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000610566019 520743679 /nfs/dbraw/zinc/74/36/79/520743679.db2.gz ASWAQBHMDBABPV-JXFKEZNVSA-N 1 2 372.488 2.845 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000595827965 520751989 /nfs/dbraw/zinc/75/19/89/520751989.db2.gz GHQVHJJVWFPRBW-CZUORRHYSA-N 1 2 358.269 2.671 20 30 FFEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000601351195 520751925 /nfs/dbraw/zinc/75/19/25/520751925.db2.gz XCLIXQQYPZXNEK-GOSISDBHSA-N 1 2 368.506 2.515 20 30 FFEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000601351195 520751933 /nfs/dbraw/zinc/75/19/33/520751933.db2.gz XCLIXQQYPZXNEK-GOSISDBHSA-N 1 2 368.506 2.515 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCOc4ccc(O)cc4C3)C2=O)cc1 ZINC000595843914 520759019 /nfs/dbraw/zinc/75/90/19/520759019.db2.gz DOCJBVOZAJUATQ-IBGZPJMESA-N 1 2 363.417 2.654 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCOc4ccc(O)cc4C3)C2=O)cc1 ZINC000595843914 520759026 /nfs/dbraw/zinc/75/90/26/520759026.db2.gz DOCJBVOZAJUATQ-IBGZPJMESA-N 1 2 363.417 2.654 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cccc(C3CCCC3)c2)c1C#N ZINC000598652641 520763692 /nfs/dbraw/zinc/76/36/92/520763692.db2.gz OSOUSVJEPNDKRZ-UHFFFAOYSA-N 1 2 351.454 2.765 20 30 FFEDLO CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c21 ZINC000593155344 520784699 /nfs/dbraw/zinc/78/46/99/520784699.db2.gz PJUJRKPHZSLIQO-LJQANCHMSA-N 1 2 355.442 2.797 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cc(Cl)ccc1Br ZINC000593154380 520784821 /nfs/dbraw/zinc/78/48/21/520784821.db2.gz KQAXDZWGWHTXPJ-CQSZACIVSA-N 1 2 358.667 2.605 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000595890453 520797018 /nfs/dbraw/zinc/79/70/18/520797018.db2.gz MLBJEOUSPVTIFG-GXTWGEPZSA-N 1 2 358.360 2.987 20 30 FFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000595890453 520797022 /nfs/dbraw/zinc/79/70/22/520797022.db2.gz MLBJEOUSPVTIFG-GXTWGEPZSA-N 1 2 358.360 2.987 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000610721843 520815452 /nfs/dbraw/zinc/81/54/52/520815452.db2.gz RXXHLYGZPDSUKV-PKOBYXMFSA-N 1 2 358.463 2.627 20 30 FFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000610721843 520815460 /nfs/dbraw/zinc/81/54/60/520815460.db2.gz RXXHLYGZPDSUKV-PKOBYXMFSA-N 1 2 358.463 2.627 20 30 FFEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000614263456 520881427 /nfs/dbraw/zinc/88/14/27/520881427.db2.gz BZUYCDKEILZAHA-LJQANCHMSA-N 1 2 368.481 2.979 20 30 FFEDLO N#CC[C@H](CC(=O)N1CCc2[nH]c[nH+]c2C12CCOCC2)c1ccccc1 ZINC000601650630 520884484 /nfs/dbraw/zinc/88/44/84/520884484.db2.gz BVKOIHJXUGSDFR-QGZVFWFLSA-N 1 2 364.449 2.888 20 30 FFEDLO N#Cc1cc(Br)cnc1NCC1CC[NH+](CC(F)F)CC1 ZINC000596238000 520988963 /nfs/dbraw/zinc/98/89/63/520988963.db2.gz CYPHXBXFHUJTII-UHFFFAOYSA-N 1 2 359.218 2.527 20 30 FFEDLO N#Cc1cc(Br)ccc1CC(=O)NCCCCn1cc[nH+]c1 ZINC000593467040 521013584 /nfs/dbraw/zinc/01/35/84/521013584.db2.gz MSKUUKWHTLNGST-UHFFFAOYSA-N 1 2 361.243 2.656 20 30 FFEDLO N#CCCN1CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000611174545 521023599 /nfs/dbraw/zinc/02/35/99/521023599.db2.gz LGUISWWIIHDXME-OAQYLSRUSA-N 1 2 354.498 2.565 20 30 FFEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)c1ccco1 ZINC000593525416 521048659 /nfs/dbraw/zinc/04/86/59/521048659.db2.gz PUAOKTUBEXPVIH-INIZCTEOSA-N 1 2 361.467 2.662 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601974503 521050414 /nfs/dbraw/zinc/05/04/14/521050414.db2.gz JQDOMTFKXXOSJM-BBRMVZONSA-N 1 2 369.387 2.817 20 30 FFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601974503 521050421 /nfs/dbraw/zinc/05/04/21/521050421.db2.gz JQDOMTFKXXOSJM-BBRMVZONSA-N 1 2 369.387 2.817 20 30 FFEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000593542666 521064105 /nfs/dbraw/zinc/06/41/05/521064105.db2.gz KGQRXJRPSJSBMT-MRXNPFEDSA-N 1 2 358.467 2.710 20 30 FFEDLO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3nc4cc(F)ccc4o3)C2=O)cc1 ZINC000602018210 521081781 /nfs/dbraw/zinc/08/17/81/521081781.db2.gz XFFSOFRTIRIVSA-INIZCTEOSA-N 1 2 364.380 2.729 20 30 FFEDLO CNc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000602035982 521093225 /nfs/dbraw/zinc/09/32/25/521093225.db2.gz YOUGUCCSQLQMTL-UHFFFAOYSA-N 1 2 352.413 2.697 20 30 FFEDLO CCO[C@@H](C)c1nc(C[N@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)cs1 ZINC000599300268 521134182 /nfs/dbraw/zinc/13/41/82/521134182.db2.gz ORXJHAJXZJTPOJ-HOCLYGCPSA-N 1 2 367.515 2.744 20 30 FFEDLO CCO[C@@H](C)c1nc(C[N@@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)cs1 ZINC000599300268 521134189 /nfs/dbraw/zinc/13/41/89/521134189.db2.gz ORXJHAJXZJTPOJ-HOCLYGCPSA-N 1 2 367.515 2.744 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ncnc4sccc43)CC2)cc1 ZINC000596657071 521194906 /nfs/dbraw/zinc/19/49/06/521194906.db2.gz NKXSBKOTEINKTN-UHFFFAOYSA-N 1 2 363.446 2.521 20 30 FFEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000614924610 521195006 /nfs/dbraw/zinc/19/50/06/521195006.db2.gz LCNBEVVCKKHPBZ-BLLLJJGKSA-N 1 2 355.360 2.929 20 30 FFEDLO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000614924610 521195010 /nfs/dbraw/zinc/19/50/10/521195010.db2.gz LCNBEVVCKKHPBZ-BLLLJJGKSA-N 1 2 355.360 2.929 20 30 FFEDLO N#Cc1ccc(C[N@@H+](Cc2ccccc2)[C@]2(CO)CCOC2)c([N+](=O)[O-])c1 ZINC000599395456 521195785 /nfs/dbraw/zinc/19/57/85/521195785.db2.gz CUVYDMWAVMHVQG-FQEVSTJZSA-N 1 2 367.405 2.620 20 30 FFEDLO N#Cc1ccc(C[N@H+](Cc2ccccc2)[C@]2(CO)CCOC2)c([N+](=O)[O-])c1 ZINC000599395456 521195788 /nfs/dbraw/zinc/19/57/88/521195788.db2.gz CUVYDMWAVMHVQG-FQEVSTJZSA-N 1 2 367.405 2.620 20 30 FFEDLO COC(=O)c1ccc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)o1 ZINC000611550976 521213608 /nfs/dbraw/zinc/21/36/08/521213608.db2.gz LLWDPIIQUPSWDP-QGZVFWFLSA-N 1 2 357.385 2.588 20 30 FFEDLO C=CCN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)c1ccccc1 ZINC000615002626 521226782 /nfs/dbraw/zinc/22/67/82/521226782.db2.gz OIWJJMYIIKTPTJ-SFHVURJKSA-N 1 2 354.454 2.702 20 30 FFEDLO C=CCN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)c1ccccc1 ZINC000615002626 521226786 /nfs/dbraw/zinc/22/67/86/521226786.db2.gz OIWJJMYIIKTPTJ-SFHVURJKSA-N 1 2 354.454 2.702 20 30 FFEDLO N#Cc1ccc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1C(F)(F)F ZINC000596773961 521274428 /nfs/dbraw/zinc/27/44/28/521274428.db2.gz KVOKLMHWZZFOAA-AWEZNQCLSA-N 1 2 368.359 2.515 20 30 FFEDLO N#CC1(NC(=O)C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CCC1 ZINC000615224047 521320920 /nfs/dbraw/zinc/32/09/20/521320920.db2.gz ZXCZEGATEYNBAP-UWVGGRQHSA-N 1 2 357.298 2.612 20 30 FFEDLO COC(=O)c1csc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)n1 ZINC000599631748 521345702 /nfs/dbraw/zinc/34/57/02/521345702.db2.gz ZHJCKKHENYWXGS-UHFFFAOYSA-N 1 2 357.435 2.597 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(OC4CC4)c3F)CC2)nc1 ZINC000596982895 521422729 /nfs/dbraw/zinc/42/27/29/521422729.db2.gz MMRCHHKRFKTOIZ-UHFFFAOYSA-N 1 2 352.413 2.956 20 30 FFEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cn(C4CCC4)nn3)CC2)c1 ZINC000596992983 521429747 /nfs/dbraw/zinc/42/97/47/521429747.db2.gz JFBOFPHMFZISJQ-UHFFFAOYSA-N 1 2 364.453 2.725 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000597022498 521452414 /nfs/dbraw/zinc/45/24/14/521452414.db2.gz QISRJLLXANSTKV-LEWJYISDSA-N 1 2 369.509 2.720 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000615787706 521532034 /nfs/dbraw/zinc/53/20/34/521532034.db2.gz UMZYLACICIWKNF-BBBLOLIVSA-N 1 2 357.298 2.610 20 30 FFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000615787706 521532042 /nfs/dbraw/zinc/53/20/42/521532042.db2.gz UMZYLACICIWKNF-BBBLOLIVSA-N 1 2 357.298 2.610 20 30 FFEDLO CC[N@H+](CCCNC(=O)C(=O)NCC1(C#N)CCCCC1)c1ccccc1 ZINC000597172956 521554420 /nfs/dbraw/zinc/55/44/20/521554420.db2.gz CPSAAGWWYVQRFB-UHFFFAOYSA-N 1 2 370.497 2.609 20 30 FFEDLO CC[N@@H+](CCCNC(=O)C(=O)NCC1(C#N)CCCCC1)c1ccccc1 ZINC000597172956 521554426 /nfs/dbraw/zinc/55/44/26/521554426.db2.gz CPSAAGWWYVQRFB-UHFFFAOYSA-N 1 2 370.497 2.609 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC(F)(F)F)cc1 ZINC000597183790 521563014 /nfs/dbraw/zinc/56/30/14/521563014.db2.gz KBMIZWUTCRIRST-ABAIWWIYSA-N 1 2 364.327 2.794 20 30 FFEDLO N#C[C@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(OC(F)(F)F)cc1 ZINC000597183790 521563020 /nfs/dbraw/zinc/56/30/20/521563020.db2.gz KBMIZWUTCRIRST-ABAIWWIYSA-N 1 2 364.327 2.794 20 30 FFEDLO Cc1cc(Br)cn2cc(CNC(=O)NCC3(C#N)CC3)[nH+]c12 ZINC000619531260 521755372 /nfs/dbraw/zinc/75/53/72/521755372.db2.gz KKJSHAANULBBTB-UHFFFAOYSA-N 1 2 362.231 2.508 20 30 FFEDLO N#CCCN1CC[NH+](CC(=O)N2c3ccccc3CCc3ccccc32)CC1 ZINC000619649222 521811058 /nfs/dbraw/zinc/81/10/58/521811058.db2.gz WNWNCMDJDITXLW-UHFFFAOYSA-N 1 2 374.488 2.981 20 30 FFEDLO N#CCN1CCC(Nc2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000619695578 521828846 /nfs/dbraw/zinc/82/88/46/521828846.db2.gz MWCZTPDSBFJADX-UHFFFAOYSA-N 1 2 363.234 2.958 20 30 FFEDLO N#C[C@H](c1ccc(Cl)cc1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000619784770 521871122 /nfs/dbraw/zinc/87/11/22/521871122.db2.gz QCCXNJFBOJSZQT-GOSISDBHSA-N 1 2 360.889 2.535 20 30 FFEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784565 521871771 /nfs/dbraw/zinc/87/17/71/521871771.db2.gz AYWPQQUYHLYCKC-MAUKXSAKSA-N 1 2 360.889 2.533 20 30 FFEDLO C=CC[C@@H]1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)C1 ZINC000623457048 522037931 /nfs/dbraw/zinc/03/79/31/522037931.db2.gz YFRWQKBJBHYYFD-BRWVUGGUSA-N 1 2 358.486 2.803 20 30 FFEDLO NC(=O)c1cc(F)ccc1N1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000621383157 522813942 /nfs/dbraw/zinc/81/39/42/522813942.db2.gz SWLGNYFXDRQZSX-UHFFFAOYSA-N 1 2 371.843 2.752 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@H+](C)CC(=O)N2CCCC2)cc1OC ZINC000628124750 523359119 /nfs/dbraw/zinc/35/91/19/523359119.db2.gz UNKZCNPWHUKBGY-UHFFFAOYSA-N 1 2 352.862 2.968 20 30 FFEDLO C=CCOc1c(Cl)cc(C[N@@H+](C)CC(=O)N2CCCC2)cc1OC ZINC000628124750 523359130 /nfs/dbraw/zinc/35/91/30/523359130.db2.gz UNKZCNPWHUKBGY-UHFFFAOYSA-N 1 2 352.862 2.968 20 30 FFEDLO Cn1cc(C#N)c(=NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)[nH]1 ZINC000615979541 555261031 /nfs/dbraw/zinc/26/10/31/555261031.db2.gz CWFPIAXVOQSSJR-GJZGRUSLSA-N 1 2 358.833 2.512 20 30 FFEDLO Cn1cc(C#N)c(=NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)[nH]1 ZINC000615979541 555261035 /nfs/dbraw/zinc/26/10/35/555261035.db2.gz CWFPIAXVOQSSJR-GJZGRUSLSA-N 1 2 358.833 2.512 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC[C@H]3CNC(=O)[O-])CC2)cc1 ZINC000833972063 606008001 /nfs/dbraw/zinc/00/80/01/606008001.db2.gz UGLOEKGQQLDBOR-ICSRJNTNSA-N 1 2 370.497 2.939 20 30 FFEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898911419 735422577 /nfs/dbraw/zinc/42/25/77/735422577.db2.gz RIGPXVGXBNXCDE-ZDUSSCGKSA-N 1 2 370.881 2.770 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2sc(Cc3ccccc3)nc2C)CC1 ZINC000064443828 728150474 /nfs/dbraw/zinc/15/04/74/728150474.db2.gz RWINVZQDJXBKEF-UHFFFAOYSA-N 1 2 353.491 2.823 20 30 FFEDLO C=CC[N@H+](Cc1cccs1)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000076461328 728261625 /nfs/dbraw/zinc/26/16/25/728261625.db2.gz CEDNGULBKPIZKF-QGZVFWFLSA-N 1 2 351.493 2.873 20 30 FFEDLO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000076461328 728261628 /nfs/dbraw/zinc/26/16/28/728261628.db2.gz CEDNGULBKPIZKF-QGZVFWFLSA-N 1 2 351.493 2.873 20 30 FFEDLO CCOC(=O)CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000130231352 728716039 /nfs/dbraw/zinc/71/60/39/728716039.db2.gz WUIMGSGGDSCGDR-UHFFFAOYSA-N 1 2 363.845 2.815 20 30 FFEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000859556034 730458771 /nfs/dbraw/zinc/45/87/71/730458771.db2.gz CKAPSZYOCHHIOF-LSDHHAIUSA-N 1 2 359.388 2.813 20 30 FFEDLO CS(=O)(=O)c1ccccc1N=NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000779776715 738483470 /nfs/dbraw/zinc/48/34/70/738483470.db2.gz PYASPESTIXVMIZ-UHFFFAOYSA-N 1 2 363.405 2.906 20 30 FFEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000867680464 731212796 /nfs/dbraw/zinc/21/27/96/731212796.db2.gz NLGDFCIIIWBOHH-UHFFFAOYSA-N 1 2 359.451 2.884 20 30 FFEDLO CC1(C)[C@H]2[C@H](CCC[N@@H+]2CC(=O)Nc2ccccc2SCC#N)[C@@H]1O ZINC000872258444 731746581 /nfs/dbraw/zinc/74/65/81/731746581.db2.gz JGMFMJBEJFEOCU-VHSSKADRSA-N 1 2 359.495 2.722 20 30 FFEDLO CC1(C)[C@H]2[C@H](CCC[N@H+]2CC(=O)Nc2ccccc2SCC#N)[C@@H]1O ZINC000872258444 731746583 /nfs/dbraw/zinc/74/65/83/731746583.db2.gz JGMFMJBEJFEOCU-VHSSKADRSA-N 1 2 359.495 2.722 20 30 FFEDLO N#CC1(CS(=O)(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CCCC1 ZINC000882837442 733302028 /nfs/dbraw/zinc/30/20/28/733302028.db2.gz HOFXAMQLSFEOGV-QGZVFWFLSA-N 1 2 358.467 2.628 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(Br)cc1C(C)C ZINC000884378345 733517883 /nfs/dbraw/zinc/51/78/83/733517883.db2.gz POXIVWYKORTEFZ-ZDUSSCGKSA-N 1 2 369.259 2.958 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3ncccn3)C2)cc1Cl ZINC000886682142 733816307 /nfs/dbraw/zinc/81/63/07/733816307.db2.gz AFWWOAVKZFVSCY-CQSZACIVSA-N 1 2 355.829 2.820 20 30 FFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3ncccn3)C2)cc1Cl ZINC000886682142 733816311 /nfs/dbraw/zinc/81/63/11/733816311.db2.gz AFWWOAVKZFVSCY-CQSZACIVSA-N 1 2 355.829 2.820 20 30 FFEDLO CC(C)C[C@H](C)N(C)C(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949248 738767201 /nfs/dbraw/zinc/76/72/01/738767201.db2.gz FCSGOIVVRQECNB-LBPRGKRZSA-N 1 2 370.291 2.979 20 30 FFEDLO NC(=[NH+]OCC(=O)Nc1cccc(F)c1)c1ccc(Br)cc1 ZINC000782949876 738767694 /nfs/dbraw/zinc/76/76/94/738767694.db2.gz PHIVORKGQZQVOT-UHFFFAOYSA-N 1 2 366.190 2.864 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=S)NCCc3cccs3)CC2)cc1 ZINC000727694135 734495133 /nfs/dbraw/zinc/49/51/33/734495133.db2.gz QDHZTSHSTULQPJ-UHFFFAOYSA-N 1 2 370.547 2.855 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N(CC)CC)c(Cl)c1 ZINC000730097200 734614795 /nfs/dbraw/zinc/61/47/95/734614795.db2.gz HJKNDEXKYYOWSV-KRWDZBQOSA-N 1 2 361.873 2.858 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N(CC)CC)c(Cl)c1 ZINC000730097200 734614798 /nfs/dbraw/zinc/61/47/98/734614798.db2.gz HJKNDEXKYYOWSV-KRWDZBQOSA-N 1 2 361.873 2.858 20 30 FFEDLO Cc1cccn2cc(CCNC(=O)N(C)Cc3cc(C#N)cs3)[nH+]c12 ZINC000893381611 734694950 /nfs/dbraw/zinc/69/49/50/734694950.db2.gz HCLITLNOGIFEET-UHFFFAOYSA-N 1 2 353.451 2.960 20 30 FFEDLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000741147665 735120200 /nfs/dbraw/zinc/12/02/00/735120200.db2.gz LAJNBXPMUYWSAC-LRDDRELGSA-N 1 2 363.845 2.956 20 30 FFEDLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000741147665 735120202 /nfs/dbraw/zinc/12/02/02/735120202.db2.gz LAJNBXPMUYWSAC-LRDDRELGSA-N 1 2 363.845 2.956 20 30 FFEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cccc(C#CCO)c1 ZINC000900326201 735630872 /nfs/dbraw/zinc/63/08/72/735630872.db2.gz CHDXBKLJHROMKC-UHFFFAOYSA-N 1 2 355.463 2.725 20 30 FFEDLO C#CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000900699764 735681548 /nfs/dbraw/zinc/68/15/48/735681548.db2.gz RVHNKXGSXRYKFT-OAHLLOKOSA-N 1 2 374.238 2.700 20 30 FFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1csc(CCc2ccccc2)n1 ZINC000751429178 735873641 /nfs/dbraw/zinc/87/36/41/735873641.db2.gz BQLHADUXENXGCR-SFHVURJKSA-N 1 2 353.491 2.642 20 30 FFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1csc(CCc2ccccc2)n1 ZINC000751429178 735873645 /nfs/dbraw/zinc/87/36/45/735873645.db2.gz BQLHADUXENXGCR-SFHVURJKSA-N 1 2 353.491 2.642 20 30 FFEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c1=S ZINC000752810209 736014218 /nfs/dbraw/zinc/01/42/18/736014218.db2.gz JARHJTDXPLAJKW-GDBMZVCRSA-N 1 2 359.499 2.855 20 30 FFEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1=S ZINC000752810209 736014224 /nfs/dbraw/zinc/01/42/24/736014224.db2.gz JARHJTDXPLAJKW-GDBMZVCRSA-N 1 2 359.499 2.855 20 30 FFEDLO C#C[C@H](CC)NC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000753195598 736044908 /nfs/dbraw/zinc/04/49/08/736044908.db2.gz YSGQSTBDZWAJCM-VMGRFDJRSA-N 1 2 353.388 2.950 20 30 FFEDLO C#C[C@H](CC)NC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000753195598 736044912 /nfs/dbraw/zinc/04/49/12/736044912.db2.gz YSGQSTBDZWAJCM-VMGRFDJRSA-N 1 2 353.388 2.950 20 30 FFEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)c2ccc3c(c2)CCO3)cc1Cl ZINC000753829861 736098173 /nfs/dbraw/zinc/09/81/73/736098173.db2.gz MKSXUJGJQLFBGQ-UHFFFAOYSA-N 1 2 359.813 2.859 20 30 FFEDLO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1cccc(C#N)c1O ZINC000903481299 736100214 /nfs/dbraw/zinc/10/02/14/736100214.db2.gz YTAAZSIWUBQSQM-JQWIXIFHSA-N 1 2 361.243 2.888 20 30 FFEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(-c2ccc(SC)cc2Cl)no1 ZINC000904098115 736220021 /nfs/dbraw/zinc/22/00/21/736220021.db2.gz OAEKNZBDVCEBOE-LBPRGKRZSA-N 1 2 353.831 2.711 20 30 FFEDLO C#CCNC(=S)N(CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000758188949 736460783 /nfs/dbraw/zinc/46/07/83/736460783.db2.gz KYQMQUWWKCIHMT-UHFFFAOYSA-N 1 2 356.495 2.682 20 30 FFEDLO C#C[C@H](NC(=O)/C=C(/C)C[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000908140599 736725537 /nfs/dbraw/zinc/72/55/37/736725537.db2.gz OLSLNZLULJIKTM-QFSNBGPKSA-N 1 2 350.821 2.548 20 30 FFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000769962103 737587208 /nfs/dbraw/zinc/58/72/08/737587208.db2.gz XSNWBPPBUKYQSY-GFCCVEGCSA-N 1 2 359.451 2.719 20 30 FFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000769962103 737587210 /nfs/dbraw/zinc/58/72/10/737587210.db2.gz XSNWBPPBUKYQSY-GFCCVEGCSA-N 1 2 359.451 2.719 20 30 FFEDLO C#C[C@H](C)[N@H+](C)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000769975933 737587619 /nfs/dbraw/zinc/58/76/19/737587619.db2.gz PBKPRYYUDGIARX-FXAWDEMLSA-N 1 2 356.491 2.968 20 30 FFEDLO C#C[C@H](C)[N@@H+](C)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000769975933 737587622 /nfs/dbraw/zinc/58/76/22/737587622.db2.gz PBKPRYYUDGIARX-FXAWDEMLSA-N 1 2 356.491 2.968 20 30 FFEDLO CN(CCC#N)c1ccc(C=[NH+]Nc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000914835688 737595955 /nfs/dbraw/zinc/59/59/55/737595955.db2.gz MAEQZTBGASJWFI-UHFFFAOYSA-N 1 2 356.451 2.886 20 30 FFEDLO C=C(Br)CNc1nc(C)[nH+]c(NCC(=C)Br)n1 ZINC000775456904 738093966 /nfs/dbraw/zinc/09/39/66/738093966.db2.gz CEZOAOHODVQIBK-UHFFFAOYSA-N 1 2 363.057 2.821 20 30 FFEDLO Cc1nc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)no1 ZINC000931944268 739357274 /nfs/dbraw/zinc/35/72/74/739357274.db2.gz NNAMHXFGSNRAHV-GWCFXTLKSA-N 1 2 359.817 2.720 20 30 FFEDLO Cc1nc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)no1 ZINC000931944268 739357278 /nfs/dbraw/zinc/35/72/78/739357278.db2.gz NNAMHXFGSNRAHV-GWCFXTLKSA-N 1 2 359.817 2.720 20 30 FFEDLO Cc1nc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)no1 ZINC000931944270 739357523 /nfs/dbraw/zinc/35/75/23/739357523.db2.gz NNAMHXFGSNRAHV-MFKMUULPSA-N 1 2 359.817 2.720 20 30 FFEDLO Cc1nc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)no1 ZINC000931944270 739357527 /nfs/dbraw/zinc/35/75/27/739357527.db2.gz NNAMHXFGSNRAHV-MFKMUULPSA-N 1 2 359.817 2.720 20 30 FFEDLO N#CC[C@@H](NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C(F)(F)F ZINC000932889785 739532057 /nfs/dbraw/zinc/53/20/57/739532057.db2.gz VVYRGEAABMGSEK-ZIAGYGMSSA-N 1 2 351.332 2.768 20 30 FFEDLO C[N@H+](Cc1cc(C#N)cs1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000933773737 739688546 /nfs/dbraw/zinc/68/85/46/739688546.db2.gz DKZIEJFOQAVALM-INIZCTEOSA-N 1 2 356.407 2.765 20 30 FFEDLO C[N@@H+](Cc1cc(C#N)cs1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000933773737 739688548 /nfs/dbraw/zinc/68/85/48/739688548.db2.gz DKZIEJFOQAVALM-INIZCTEOSA-N 1 2 356.407 2.765 20 30 FFEDLO CCOCc1ccc(CNC(=O)C[N@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000933775324 739688620 /nfs/dbraw/zinc/68/86/20/739688620.db2.gz OPPYGZVRCXVVTG-UHFFFAOYSA-N 1 2 357.479 2.904 20 30 FFEDLO CCOCc1ccc(CNC(=O)C[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000933775324 739688621 /nfs/dbraw/zinc/68/86/21/739688621.db2.gz OPPYGZVRCXVVTG-UHFFFAOYSA-N 1 2 357.479 2.904 20 30 FFEDLO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cn1nc(CC#N)n(C)c1=S ZINC000794643858 739914516 /nfs/dbraw/zinc/91/45/16/739914516.db2.gz CDTBOQMXXYBUCJ-MRXNPFEDSA-N 1 2 357.483 2.993 20 30 FFEDLO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cn1nc(CC#N)n(C)c1=S ZINC000794643858 739914520 /nfs/dbraw/zinc/91/45/20/739914520.db2.gz CDTBOQMXXYBUCJ-MRXNPFEDSA-N 1 2 357.483 2.993 20 30 FFEDLO C#CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000805054990 740932462 /nfs/dbraw/zinc/93/24/62/740932462.db2.gz PJOWGRHLHCYPDV-SJORKVTESA-N 1 2 372.893 2.947 20 30 FFEDLO C#CCCCS(=O)(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000805054990 740932466 /nfs/dbraw/zinc/93/24/66/740932466.db2.gz PJOWGRHLHCYPDV-SJORKVTESA-N 1 2 372.893 2.947 20 30 FFEDLO C#CCCS(=O)(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000808305329 741209326 /nfs/dbraw/zinc/20/93/26/741209326.db2.gz PJTIVDYWYWICHY-HOTGVXAUSA-N 1 2 358.866 2.557 20 30 FFEDLO C#CCCS(=O)(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000808305329 741209330 /nfs/dbraw/zinc/20/93/30/741209330.db2.gz PJTIVDYWYWICHY-HOTGVXAUSA-N 1 2 358.866 2.557 20 30 FFEDLO C#Cc1ccc(C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC000809643137 741325917 /nfs/dbraw/zinc/32/59/17/741325917.db2.gz NNLMZMJMVZZYMY-UHFFFAOYSA-N 1 2 352.385 2.860 20 30 FFEDLO C=CCS(=O)(=O)CC[NH2+][C@H](c1nc(Br)cs1)C1CC1 ZINC000817586525 742174944 /nfs/dbraw/zinc/17/49/44/742174944.db2.gz RKYFLVLNBAEPEY-NSHDSACASA-N 1 2 365.318 2.547 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001007360410 742327023 /nfs/dbraw/zinc/32/70/23/742327023.db2.gz RDRSVOAJWJPVLC-ZACQAIPSSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001007360410 742327030 /nfs/dbraw/zinc/32/70/30/742327030.db2.gz RDRSVOAJWJPVLC-ZACQAIPSSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001015721398 742478381 /nfs/dbraw/zinc/47/83/81/742478381.db2.gz IHHFUNDQJCBWOW-VBQJREDUSA-N 1 2 352.837 2.761 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001015721398 742478385 /nfs/dbraw/zinc/47/83/85/742478385.db2.gz IHHFUNDQJCBWOW-VBQJREDUSA-N 1 2 352.837 2.761 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ncc(C)s1 ZINC001028190137 742789009 /nfs/dbraw/zinc/78/90/09/742789009.db2.gz NLAAVJODHWTBOU-RYRKJORJSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ncc(C)s1 ZINC001028190137 742789014 /nfs/dbraw/zinc/78/90/14/742789014.db2.gz NLAAVJODHWTBOU-RYRKJORJSA-N 1 2 363.527 2.903 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001033091340 742872158 /nfs/dbraw/zinc/87/21/58/742872158.db2.gz KKAFGEFOTVLKEB-BBWFWOEESA-N 1 2 363.889 2.749 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001033091340 742872163 /nfs/dbraw/zinc/87/21/63/742872163.db2.gz KKAFGEFOTVLKEB-BBWFWOEESA-N 1 2 363.889 2.749 20 30 FFEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001034314644 742919497 /nfs/dbraw/zinc/91/94/97/742919497.db2.gz WLXWAQHYYMEBDA-YHUYYLMFSA-N 1 2 371.319 2.681 20 30 FFEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001034314644 742919504 /nfs/dbraw/zinc/91/95/04/742919504.db2.gz WLXWAQHYYMEBDA-YHUYYLMFSA-N 1 2 371.319 2.681 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001046318624 743317077 /nfs/dbraw/zinc/31/70/77/743317077.db2.gz DUIJNTFKQSAHAW-GJYPPUQNSA-N 1 2 363.889 2.797 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001046318624 743317083 /nfs/dbraw/zinc/31/70/83/743317083.db2.gz DUIJNTFKQSAHAW-GJYPPUQNSA-N 1 2 363.889 2.797 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046630562 743332000 /nfs/dbraw/zinc/33/20/00/743332000.db2.gz VVDVCGDIOHZPCP-MOXGXCLJSA-N 1 2 360.885 2.697 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046630562 743332005 /nfs/dbraw/zinc/33/20/05/743332005.db2.gz VVDVCGDIOHZPCP-MOXGXCLJSA-N 1 2 360.885 2.697 20 30 FFEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)cccc2C1 ZINC001051301313 743564880 /nfs/dbraw/zinc/56/48/80/743564880.db2.gz CVRLVMUOLDFSCL-QRQLOZEOSA-N 1 2 360.885 2.981 20 30 FFEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)cccc2C1 ZINC001051301313 743564883 /nfs/dbraw/zinc/56/48/83/743564883.db2.gz CVRLVMUOLDFSCL-QRQLOZEOSA-N 1 2 360.885 2.981 20 30 FFEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C#Cc2cccs2)c2ccc(Cl)cc2)C1 ZINC000828109619 745029870 /nfs/dbraw/zinc/02/98/70/745029870.db2.gz OPCYCICZQHYWIN-HKUYNNGSSA-N 1 2 374.893 2.941 20 30 FFEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)C#Cc2cccs2)c2ccc(Cl)cc2)C1 ZINC000828109619 745029880 /nfs/dbraw/zinc/02/98/80/745029880.db2.gz OPCYCICZQHYWIN-HKUYNNGSSA-N 1 2 374.893 2.941 20 30 FFEDLO C#CC1CCN(CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)CC1 ZINC000830343502 745340988 /nfs/dbraw/zinc/34/09/88/745340988.db2.gz XWZLRBQPLOXCII-UHFFFAOYSA-N 1 2 360.527 2.659 20 30 FFEDLO COC(=O)c1cc(N[NH+]=Cc2ccc(N3CCOCC3)s2)ccc1F ZINC000835011024 745931095 /nfs/dbraw/zinc/93/10/95/745931095.db2.gz DUKKROFPVJZFTH-UHFFFAOYSA-N 1 2 363.414 2.956 20 30 FFEDLO C#CCNC(=O)[C@@H](C)[N@H+](CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000839461985 746832181 /nfs/dbraw/zinc/83/21/81/746832181.db2.gz ANCJFVWCEMQFDH-GFCCVEGCSA-N 1 2 370.280 2.782 20 30 FFEDLO C#CCNC(=O)[C@@H](C)[N@@H+](CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000839461985 746832187 /nfs/dbraw/zinc/83/21/87/746832187.db2.gz ANCJFVWCEMQFDH-GFCCVEGCSA-N 1 2 370.280 2.782 20 30 FFEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000839618860 746873713 /nfs/dbraw/zinc/87/37/13/746873713.db2.gz KITUIXSKWSHGAA-PXNSSMCTSA-N 1 2 354.475 2.678 20 30 FFEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000839618860 746873719 /nfs/dbraw/zinc/87/37/19/746873719.db2.gz KITUIXSKWSHGAA-PXNSSMCTSA-N 1 2 354.475 2.678 20 30 FFEDLO Cn1c(C=NNCCCn2cc[nH+]c2)nc2cc(C(F)(F)F)ccc21 ZINC000848419572 748921624 /nfs/dbraw/zinc/92/16/24/748921624.db2.gz ZFRSYSOKMDKMCI-UHFFFAOYSA-N 1 2 350.348 2.802 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)CCN(C)C(=O)OC ZINC000852572205 749893376 /nfs/dbraw/zinc/89/33/76/749893376.db2.gz STJCWPDFADBNLV-UHFFFAOYSA-N 1 2 351.472 2.533 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)CCN(C)C(=O)OC ZINC000852572205 749893383 /nfs/dbraw/zinc/89/33/83/749893383.db2.gz STJCWPDFADBNLV-UHFFFAOYSA-N 1 2 351.472 2.533 20 30 FFEDLO C=CC[N@H+](CN1Cc2cccc(Br)c2C1=O)[C@H](C)COC ZINC000853533944 750085848 /nfs/dbraw/zinc/08/58/48/750085848.db2.gz FGIVJLBFMPENNU-GFCCVEGCSA-N 1 2 353.260 2.885 20 30 FFEDLO C=CC[N@@H+](CN1Cc2cccc(Br)c2C1=O)[C@H](C)COC ZINC000853533944 750085854 /nfs/dbraw/zinc/08/58/54/750085854.db2.gz FGIVJLBFMPENNU-GFCCVEGCSA-N 1 2 353.260 2.885 20 30 FFEDLO C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@H+](Cc3cccc(C#N)n3)C2)O1 ZINC000895679234 970830941 /nfs/dbraw/zinc/83/09/41/970830941.db2.gz DXUQYBDKIOUSFT-GCJKJVERSA-N 1 2 362.477 2.819 20 30 FFEDLO C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@@H+](Cc3cccc(C#N)n3)C2)O1 ZINC000895679234 970830957 /nfs/dbraw/zinc/83/09/57/970830957.db2.gz DXUQYBDKIOUSFT-GCJKJVERSA-N 1 2 362.477 2.819 20 30 FFEDLO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141902876 971621796 /nfs/dbraw/zinc/62/17/96/971621796.db2.gz HGVBHIMDMZZTHR-RISCZKNCSA-N 1 2 351.244 2.952 20 30 FFEDLO COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141902876 971621799 /nfs/dbraw/zinc/62/17/99/971621799.db2.gz HGVBHIMDMZZTHR-RISCZKNCSA-N 1 2 351.244 2.952 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000969693361 959766795 /nfs/dbraw/zinc/76/67/95/959766795.db2.gz RXNFTLYQJGHPHG-ZNOIYHFQSA-N 1 2 364.436 2.883 20 30 FFEDLO CC(C)n1ncc(C#N)c1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174432828 1013207020 /nfs/dbraw/zinc/20/70/20/1013207020.db2.gz AJBJNYPEPMFJMG-UHFFFAOYSA-N 1 2 355.442 2.790 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1C#N ZINC000134987106 961778787 /nfs/dbraw/zinc/77/87/87/961778787.db2.gz ZCAVHCZZACZPLL-UHFFFAOYSA-N 1 2 352.394 2.797 20 30 FFEDLO C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2noc(CC)n2)C1 ZINC001104294113 962371445 /nfs/dbraw/zinc/37/14/45/962371445.db2.gz WLTIMGYOGDARSJ-HZPDHXFCSA-N 1 2 371.485 2.508 20 30 FFEDLO Cc1ccc(C[NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1C#N ZINC001167371519 962468261 /nfs/dbraw/zinc/46/82/61/962468261.db2.gz FQOGFGCKCPJFMI-QFIPXVFZSA-N 1 2 374.488 2.790 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccnn2C)CCCCC1 ZINC001110177367 1013358661 /nfs/dbraw/zinc/35/86/61/1013358661.db2.gz NCGNYHJFYDHJOR-NEWSRXKRSA-N 1 2 354.498 2.615 20 30 FFEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccnn2C)CCCCC1 ZINC001110177367 1013358670 /nfs/dbraw/zinc/35/86/70/1013358670.db2.gz NCGNYHJFYDHJOR-NEWSRXKRSA-N 1 2 354.498 2.615 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+](Cc1nc(C)c(C)s1)C1CC1 ZINC001266613653 962812402 /nfs/dbraw/zinc/81/24/02/962812402.db2.gz BGCDJPVBMPVAEP-WMZOPIPTSA-N 1 2 363.527 2.822 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](Cc1nc(C)c(C)s1)C1CC1 ZINC001266613653 962812422 /nfs/dbraw/zinc/81/24/22/962812422.db2.gz BGCDJPVBMPVAEP-WMZOPIPTSA-N 1 2 363.527 2.822 20 30 FFEDLO CCn1c[nH+]c2c1CCN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C2 ZINC000933262048 963767706 /nfs/dbraw/zinc/76/77/06/963767706.db2.gz AJZWQMINRCESDI-UHFFFAOYSA-N 1 2 371.872 2.861 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001059092923 964037190 /nfs/dbraw/zinc/03/71/90/964037190.db2.gz LGTWCEQYBDLCDT-BQFCYCMXSA-N 1 2 358.486 2.902 20 30 FFEDLO N#Cc1c(F)cccc1N1CC[NH+](C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000051180176 964282554 /nfs/dbraw/zinc/28/25/54/964282554.db2.gz QWNUFZDDLYGMHL-IBGZPJMESA-N 1 2 361.367 2.831 20 30 FFEDLO N#CCn1c(C[N@@H+]2CC[C@H](COc3ccccc3)C2)nc2ccccc2c1=O ZINC000780372515 964381475 /nfs/dbraw/zinc/38/14/75/964381475.db2.gz JQRZNVIZXUMSCZ-KRWDZBQOSA-N 1 2 374.444 2.821 20 30 FFEDLO N#CCn1c(C[N@H+]2CC[C@H](COc3ccccc3)C2)nc2ccccc2c1=O ZINC000780372515 964381486 /nfs/dbraw/zinc/38/14/86/964381486.db2.gz JQRZNVIZXUMSCZ-KRWDZBQOSA-N 1 2 374.444 2.821 20 30 FFEDLO O=C(CCS)N1CC[C@@]2(CCC[C@@H]2C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001269872271 964399170 /nfs/dbraw/zinc/39/91/70/964399170.db2.gz HBTHYOUYYWLAIB-KUHUBIRLSA-N 1 2 372.494 2.612 20 30 FFEDLO Cc1noc(C[C@@H]2CCC[N@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)n1 ZINC000933573275 964711244 /nfs/dbraw/zinc/71/12/44/964711244.db2.gz SACCJTLLTREOSC-AWEZNQCLSA-N 1 2 373.482 2.821 20 30 FFEDLO Cc1noc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)n1 ZINC000933573275 964711255 /nfs/dbraw/zinc/71/12/55/964711255.db2.gz SACCJTLLTREOSC-AWEZNQCLSA-N 1 2 373.482 2.821 20 30 FFEDLO Cc1noc(C[C@H]2CCC[N@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)n1 ZINC000933573276 964711701 /nfs/dbraw/zinc/71/17/01/964711701.db2.gz SACCJTLLTREOSC-CQSZACIVSA-N 1 2 373.482 2.821 20 30 FFEDLO Cc1noc(C[C@H]2CCC[N@@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)n1 ZINC000933573276 964711710 /nfs/dbraw/zinc/71/17/10/964711710.db2.gz SACCJTLLTREOSC-CQSZACIVSA-N 1 2 373.482 2.821 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cncn2C)CCCCC1 ZINC001111483854 964988080 /nfs/dbraw/zinc/98/80/80/964988080.db2.gz OTWIXFPGSPKOSR-QRQLOZEOSA-N 1 2 354.498 2.615 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cncn2C)CCCCC1 ZINC001111483854 964988085 /nfs/dbraw/zinc/98/80/85/964988085.db2.gz OTWIXFPGSPKOSR-QRQLOZEOSA-N 1 2 354.498 2.615 20 30 FFEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C[C@H](O)c1ccc(C)cc1 ZINC000176271535 965625268 /nfs/dbraw/zinc/62/52/68/965625268.db2.gz BIZUERJOPNBOLL-FQEVSTJZSA-N 1 2 372.490 2.696 20 30 FFEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C[C@H](O)c1ccc(C)cc1 ZINC000176271535 965625273 /nfs/dbraw/zinc/62/52/73/965625273.db2.gz BIZUERJOPNBOLL-FQEVSTJZSA-N 1 2 372.490 2.696 20 30 FFEDLO N#Cc1ccc([C@H]2CN(C(=O)NCCCNc3cccc[nH+]3)CCO2)cc1 ZINC000891974433 965665127 /nfs/dbraw/zinc/66/51/27/965665127.db2.gz IRPQZEFABBLFRE-GOSISDBHSA-N 1 2 365.437 2.538 20 30 FFEDLO Cc1c[nH]nc1C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075772976 966099748 /nfs/dbraw/zinc/09/97/48/966099748.db2.gz HWGSUZVAWFNXHB-FUHWJXTLSA-N 1 2 368.868 2.570 20 30 FFEDLO Cc1c[nH]nc1C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075772976 966099760 /nfs/dbraw/zinc/09/97/60/966099760.db2.gz HWGSUZVAWFNXHB-FUHWJXTLSA-N 1 2 368.868 2.570 20 30 FFEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(C4CCCC4)c3)[C@H]2C1 ZINC001083249064 966846474 /nfs/dbraw/zinc/84/64/74/966846474.db2.gz KVGIFGXGAWRKTF-LEWJYISDSA-N 1 2 352.478 2.893 20 30 FFEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(C4CCCC4)c3)[C@H]2C1 ZINC001083249064 966846483 /nfs/dbraw/zinc/84/64/83/966846483.db2.gz KVGIFGXGAWRKTF-LEWJYISDSA-N 1 2 352.478 2.893 20 30 FFEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000972387251 966896662 /nfs/dbraw/zinc/89/66/62/966896662.db2.gz NGGBNNZUCBGMEF-ONTIZHBOSA-N 1 2 352.478 2.507 20 30 FFEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000972387251 966896675 /nfs/dbraw/zinc/89/66/75/966896675.db2.gz NGGBNNZUCBGMEF-ONTIZHBOSA-N 1 2 352.478 2.507 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cncc(OC)n2)CCCC1 ZINC001111523346 967212303 /nfs/dbraw/zinc/21/23/03/967212303.db2.gz VOSQMAUVXFCCLN-KURKYZTESA-N 1 2 370.497 2.843 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cncc(OC)n2)CCCC1 ZINC001111523346 967212311 /nfs/dbraw/zinc/21/23/11/967212311.db2.gz VOSQMAUVXFCCLN-KURKYZTESA-N 1 2 370.497 2.843 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc(OC(C)C)cn2)[C@H]1CC ZINC001087571495 968189401 /nfs/dbraw/zinc/18/94/01/968189401.db2.gz WWAHWKYFOYVSQM-DZGCQCFKSA-N 1 2 352.866 2.599 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc(OC(C)C)cn2)[C@H]1CC ZINC001087571495 968189402 /nfs/dbraw/zinc/18/94/02/968189402.db2.gz WWAHWKYFOYVSQM-DZGCQCFKSA-N 1 2 352.866 2.599 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](Cc2ccn(C)n2)[C@@H]1CC ZINC001087628472 968415722 /nfs/dbraw/zinc/41/57/22/968415722.db2.gz XKUPHJPDRYUDJD-RBUKOAKNSA-N 1 2 368.481 2.768 20 30 FFEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccn(C)n2)[C@@H]1CC ZINC001087628472 968415729 /nfs/dbraw/zinc/41/57/29/968415729.db2.gz XKUPHJPDRYUDJD-RBUKOAKNSA-N 1 2 368.481 2.768 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cccnc2OC)[C@H]1CC ZINC001087711799 968694388 /nfs/dbraw/zinc/69/43/88/968694388.db2.gz XTPMSXCYYUPBFP-UONOGXRCSA-N 1 2 368.275 2.582 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cccnc2OC)[C@H]1CC ZINC001087711799 968694395 /nfs/dbraw/zinc/69/43/95/968694395.db2.gz XTPMSXCYYUPBFP-UONOGXRCSA-N 1 2 368.275 2.582 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2coc(C)n2)[C@@H]1CC ZINC001087755948 968910294 /nfs/dbraw/zinc/91/02/94/968910294.db2.gz PWNRQMBCEQEIGN-OKYOBFRVSA-N 1 2 361.486 2.823 20 30 FFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2coc(C)n2)[C@@H]1CC ZINC001087755948 968910299 /nfs/dbraw/zinc/91/02/99/968910299.db2.gz PWNRQMBCEQEIGN-OKYOBFRVSA-N 1 2 361.486 2.823 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cc(C)nc(C)n2)[C@H]1CC ZINC001087760729 968919976 /nfs/dbraw/zinc/91/99/76/968919976.db2.gz DVJHIWYIFRXMKQ-DZGCQCFKSA-N 1 2 367.291 2.585 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)nc(C)n2)[C@H]1CC ZINC001087760729 968919987 /nfs/dbraw/zinc/91/99/87/968919987.db2.gz DVJHIWYIFRXMKQ-DZGCQCFKSA-N 1 2 367.291 2.585 20 30 FFEDLO Cc1conc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001098168618 970320445 /nfs/dbraw/zinc/32/04/45/970320445.db2.gz PISKOIUMLLGVDO-OIISXLGYSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1conc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001098168618 970320452 /nfs/dbraw/zinc/32/04/52/970320452.db2.gz PISKOIUMLLGVDO-OIISXLGYSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1cc(CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)ccc1C#N ZINC000783027558 970414163 /nfs/dbraw/zinc/41/41/63/970414163.db2.gz HKOISSIBTNYBDV-UHFFFAOYSA-N 1 2 364.449 2.746 20 30 FFEDLO CSCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001112044655 970735111 /nfs/dbraw/zinc/73/51/11/970735111.db2.gz DSNMHDAPOJGZAO-HUUCEWRRSA-N 1 2 371.428 2.790 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C4CC4)nn3C)CC[C@@H]2C1 ZINC001088093107 972713073 /nfs/dbraw/zinc/71/30/73/972713073.db2.gz JNYVWNNVXOKYTE-WWMYMODYSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C4CC4)nn3C)CC[C@@H]2C1 ZINC001088093107 972713082 /nfs/dbraw/zinc/71/30/82/972713082.db2.gz JNYVWNNVXOKYTE-WWMYMODYSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C4CC4)n3C)CC[C@@H]2C1 ZINC001088093079 972714268 /nfs/dbraw/zinc/71/42/68/972714268.db2.gz IOWJLWQCLLEBIF-WWMYMODYSA-N 1 2 371.529 2.575 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C4CC4)n3C)CC[C@@H]2C1 ZINC001088093079 972714274 /nfs/dbraw/zinc/71/42/74/972714274.db2.gz IOWJLWQCLLEBIF-WWMYMODYSA-N 1 2 371.529 2.575 20 30 FFEDLO CCC(CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001211896452 973475750 /nfs/dbraw/zinc/47/57/50/973475750.db2.gz FKDZUMXOFUYZQJ-RTBURBONSA-N 1 2 362.901 2.943 20 30 FFEDLO CCC(CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001211896452 973475754 /nfs/dbraw/zinc/47/57/54/973475754.db2.gz FKDZUMXOFUYZQJ-RTBURBONSA-N 1 2 362.901 2.943 20 30 FFEDLO C=CC[N@H+](Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)[C@@H](C)COC ZINC000661242720 973974248 /nfs/dbraw/zinc/97/42/48/973974248.db2.gz SOQXOUVZNFJSPN-AWEZNQCLSA-N 1 2 353.426 2.544 20 30 FFEDLO C=CC[N@@H+](Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)[C@@H](C)COC ZINC000661242720 973974257 /nfs/dbraw/zinc/97/42/57/973974257.db2.gz SOQXOUVZNFJSPN-AWEZNQCLSA-N 1 2 353.426 2.544 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2CC)C1 ZINC000985428407 974065463 /nfs/dbraw/zinc/06/54/63/974065463.db2.gz WYIHQISVXCCIEW-YESZJQIVSA-N 1 2 358.486 2.686 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ncc(CC)o2)C1 ZINC001027415721 974389050 /nfs/dbraw/zinc/38/90/50/974389050.db2.gz QIRUBEFZAZMGSD-JQHSSLGASA-N 1 2 361.486 2.641 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ncc(CC)o2)C1 ZINC001027415721 974389060 /nfs/dbraw/zinc/38/90/60/974389060.db2.gz QIRUBEFZAZMGSD-JQHSSLGASA-N 1 2 361.486 2.641 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001027415817 974389322 /nfs/dbraw/zinc/38/93/22/974389322.db2.gz SJTYOKOOJXIIRU-KURKYZTESA-N 1 2 361.486 2.695 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001027415817 974389326 /nfs/dbraw/zinc/38/93/26/974389326.db2.gz SJTYOKOOJXIIRU-KURKYZTESA-N 1 2 361.486 2.695 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC001167784633 974937321 /nfs/dbraw/zinc/93/73/21/974937321.db2.gz JPEIPOFSLFUVDJ-BRWVUGGUSA-N 1 2 353.388 2.979 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000653152054 1014238095 /nfs/dbraw/zinc/23/80/95/1014238095.db2.gz OUOKZHZQUQKRJY-KURKYZTESA-N 1 2 354.454 2.737 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)[C@H]1C ZINC001088719994 975587592 /nfs/dbraw/zinc/58/75/92/975587592.db2.gz TXRWFLQFTLIJGE-WPGHFRTFSA-N 1 2 355.265 2.975 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)[C@H]1C ZINC001088719994 975587605 /nfs/dbraw/zinc/58/76/05/975587605.db2.gz TXRWFLQFTLIJGE-WPGHFRTFSA-N 1 2 355.265 2.975 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccccc3)[C@@H]2C1 ZINC001075957609 975723459 /nfs/dbraw/zinc/72/34/59/975723459.db2.gz QUKNQUATQQLPOS-GHTZIAJQSA-N 1 2 363.436 2.973 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccccc3)[C@@H]2C1 ZINC001075957609 975723475 /nfs/dbraw/zinc/72/34/75/975723475.db2.gz QUKNQUATQQLPOS-GHTZIAJQSA-N 1 2 363.436 2.973 20 30 FFEDLO N#Cc1ccc(OCc2ccc(C(=O)N[C@H]3CCC[N@@H+](CCF)C3)o2)cc1 ZINC000898492008 976496659 /nfs/dbraw/zinc/49/66/59/976496659.db2.gz QHUOJWWOAHFILS-INIZCTEOSA-N 1 2 371.412 2.894 20 30 FFEDLO N#Cc1ccc(OCc2ccc(C(=O)N[C@H]3CCC[N@H+](CCF)C3)o2)cc1 ZINC000898492008 976496665 /nfs/dbraw/zinc/49/66/65/976496665.db2.gz QHUOJWWOAHFILS-INIZCTEOSA-N 1 2 371.412 2.894 20 30 FFEDLO Cc1ncc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)s1 ZINC001075603740 976972560 /nfs/dbraw/zinc/97/25/60/976972560.db2.gz GPYPRVDOTURAJC-WMLDXEAASA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1ncc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)s1 ZINC001075603740 976972573 /nfs/dbraw/zinc/97/25/73/976972573.db2.gz GPYPRVDOTURAJC-WMLDXEAASA-N 1 2 370.453 2.809 20 30 FFEDLO Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCN(C(=O)[C@H](C)C#N)[C@@H]4C3)co2)cc1 ZINC001075616032 977314487 /nfs/dbraw/zinc/31/44/87/977314487.db2.gz HDJDHBCYZAQYBA-HHXXYDBFSA-N 1 2 364.449 2.842 20 30 FFEDLO Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCN(C(=O)[C@H](C)C#N)[C@@H]4C3)co2)cc1 ZINC001075616032 977314491 /nfs/dbraw/zinc/31/44/91/977314491.db2.gz HDJDHBCYZAQYBA-HHXXYDBFSA-N 1 2 364.449 2.842 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@H]21 ZINC001075616167 977316753 /nfs/dbraw/zinc/31/67/53/977316753.db2.gz LHJRQOPAEOLSOM-UKPHBRMFSA-N 1 2 368.412 2.673 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@H]21 ZINC001075616167 977316760 /nfs/dbraw/zinc/31/67/60/977316760.db2.gz LHJRQOPAEOLSOM-UKPHBRMFSA-N 1 2 368.412 2.673 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(-c4cccs4)o3)C[C@H]21 ZINC001075616438 977324480 /nfs/dbraw/zinc/32/44/80/977324480.db2.gz SPYZVNCGBKBYGG-HZSPNIEDSA-N 1 2 356.451 2.595 20 30 FFEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(-c4cccs4)o3)C[C@H]21 ZINC001075616438 977324488 /nfs/dbraw/zinc/32/44/88/977324488.db2.gz SPYZVNCGBKBYGG-HZSPNIEDSA-N 1 2 356.451 2.595 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4cc(C)ccc4O3)[C@@H]2C1 ZINC001076038561 977460758 /nfs/dbraw/zinc/46/07/58/977460758.db2.gz BNGKIEXVASEYEO-YQVWRLOYSA-N 1 2 360.885 2.974 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4cc(C)ccc4O3)[C@@H]2C1 ZINC001076038561 977460760 /nfs/dbraw/zinc/46/07/60/977460760.db2.gz BNGKIEXVASEYEO-YQVWRLOYSA-N 1 2 360.885 2.974 20 30 FFEDLO C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cnns2)C1 ZINC001087462600 978107219 /nfs/dbraw/zinc/10/72/19/978107219.db2.gz SAORVZOIAJFSLI-HZPDHXFCSA-N 1 2 360.458 2.841 20 30 FFEDLO C=C(C)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cnns2)C1 ZINC001087462600 978107222 /nfs/dbraw/zinc/10/72/22/978107222.db2.gz SAORVZOIAJFSLI-HZPDHXFCSA-N 1 2 360.458 2.841 20 30 FFEDLO N#CCOc1ccc(C[NH+]2CCN(CCOc3ccccc3)CC2)cc1 ZINC000729267523 978224378 /nfs/dbraw/zinc/22/43/78/978224378.db2.gz WAOKHZOJAPORQH-UHFFFAOYSA-N 1 2 351.450 2.786 20 30 FFEDLO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(F)c(F)c3O)C2=O)cc1 ZINC000877184209 1014502712 /nfs/dbraw/zinc/50/27/12/1014502712.db2.gz KGQUYEZKSULMSM-INIZCTEOSA-N 1 2 357.360 2.827 20 30 FFEDLO N#CCOc1ccc(C[N@H+]2Cc3nccn3C[C@@H](COCC3CC3)C2)cc1 ZINC001137118132 1014542269 /nfs/dbraw/zinc/54/22/69/1014542269.db2.gz NEKDTPOHURCYSI-IBGZPJMESA-N 1 2 366.465 2.844 20 30 FFEDLO N#CCOc1ccc(C[N@@H+]2Cc3nccn3C[C@@H](COCC3CC3)C2)cc1 ZINC001137118132 1014542277 /nfs/dbraw/zinc/54/22/77/1014542277.db2.gz NEKDTPOHURCYSI-IBGZPJMESA-N 1 2 366.465 2.844 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C)cn3)C[C@H]21)c1ccccc1 ZINC001076599344 979702598 /nfs/dbraw/zinc/70/25/98/979702598.db2.gz LGSRHJJQFISFTG-SLFFLAALSA-N 1 2 362.477 2.788 20 30 FFEDLO C=C[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C)cn3)C[C@H]21)c1ccccc1 ZINC001076599344 979702603 /nfs/dbraw/zinc/70/26/03/979702603.db2.gz LGSRHJJQFISFTG-SLFFLAALSA-N 1 2 362.477 2.788 20 30 FFEDLO N#Cc1c(F)cccc1N1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001060186321 980410673 /nfs/dbraw/zinc/41/06/73/980410673.db2.gz BUIXNMXUYXHEEA-RBSFLKMASA-N 1 2 367.428 2.699 20 30 FFEDLO N#Cc1c(F)cccc1N1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001060186321 980410675 /nfs/dbraw/zinc/41/06/75/980410675.db2.gz BUIXNMXUYXHEEA-RBSFLKMASA-N 1 2 367.428 2.699 20 30 FFEDLO C=CCCC[C@@H]1NC(=O)N(c2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1=O ZINC000905450388 980436801 /nfs/dbraw/zinc/43/68/01/980436801.db2.gz MAYVYIMXOCZQJK-QAPCUYQASA-N 1 2 357.454 2.861 20 30 FFEDLO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000905535855 980459112 /nfs/dbraw/zinc/45/91/12/980459112.db2.gz DPHRAUWIVHJYML-BPAFIMBUSA-N 1 2 356.397 2.554 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001059855382 980995065 /nfs/dbraw/zinc/99/50/65/980995065.db2.gz GLQGXUHJAFGZNT-TWMKSMIVSA-N 1 2 358.486 2.949 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nc3cc(C)ccc3s2)C[C@H]1OC ZINC001212022094 981457969 /nfs/dbraw/zinc/45/79/69/981457969.db2.gz AGVCZJKNKPLKOS-HZPDHXFCSA-N 1 2 359.495 2.886 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nc3cc(C)ccc3s2)C[C@H]1OC ZINC001212022094 981457974 /nfs/dbraw/zinc/45/79/74/981457974.db2.gz AGVCZJKNKPLKOS-HZPDHXFCSA-N 1 2 359.495 2.886 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(=O)Nc3cccc(C)c3)[C@@H]2C)C1 ZINC001088839909 981809735 /nfs/dbraw/zinc/80/97/35/981809735.db2.gz KOADMUMYKPNZJC-AEFFLSMTSA-N 1 2 355.482 2.869 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(=O)Nc3cccc(C)c3)[C@@H]2C)C1 ZINC001088839909 981809741 /nfs/dbraw/zinc/80/97/41/981809741.db2.gz KOADMUMYKPNZJC-AEFFLSMTSA-N 1 2 355.482 2.869 20 30 FFEDLO CC(=O)[C@@](C#N)(CC[NH+]1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000877966032 1014789608 /nfs/dbraw/zinc/78/96/08/1014789608.db2.gz XDEZRTZGBDGRQU-QFIPXVFZSA-N 1 2 373.460 2.516 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)CCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001105580187 982424466 /nfs/dbraw/zinc/42/44/66/982424466.db2.gz LDXFLDORBAPQQH-SJORKVTESA-N 1 2 358.486 2.538 20 30 FFEDLO C=CCCC[C@@H](NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000898014525 982591769 /nfs/dbraw/zinc/59/17/69/982591769.db2.gz DVMKIOAMOREGRM-QZTJIDSGSA-N 1 2 366.465 2.528 20 30 FFEDLO Cc1nn(C)cc1CO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000842040944 982626020 /nfs/dbraw/zinc/62/60/20/982626020.db2.gz RPBDDVANQKXXFD-UHFFFAOYSA-N 1 2 373.457 2.590 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)c3cccc4[nH+]ccn43)[C@@H]2C)CC1 ZINC000989731298 982817182 /nfs/dbraw/zinc/81/71/82/982817182.db2.gz FBIOLIBXTORHKS-WBVHZDCISA-N 1 2 366.465 2.800 20 30 FFEDLO CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000878310395 1014980485 /nfs/dbraw/zinc/98/04/85/1014980485.db2.gz LSVDUBPTEROFLV-UXHICEINSA-N 1 2 356.514 2.902 20 30 FFEDLO CN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)c1cc(Cl)ccc1C#N ZINC000764271063 984399070 /nfs/dbraw/zinc/39/90/70/984399070.db2.gz DRJULPAIIYBEBB-UHFFFAOYSA-N 1 2 371.872 2.820 20 30 FFEDLO CC[C@@]1(C)COCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000761109549 984795617 /nfs/dbraw/zinc/79/56/17/984795617.db2.gz JQPPHZGHWMBWOQ-QRWLVFNGSA-N 1 2 350.422 2.725 20 30 FFEDLO CC[C@@]1(C)COCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000761109549 984795623 /nfs/dbraw/zinc/79/56/23/984795623.db2.gz JQPPHZGHWMBWOQ-QRWLVFNGSA-N 1 2 350.422 2.725 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3nc4ccccc4o3)[C@@H]2C)c1 ZINC001088846315 984977606 /nfs/dbraw/zinc/97/76/06/984977606.db2.gz IAFYLEXODXSXEM-PBHICJAKSA-N 1 2 360.417 2.597 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3nc4ccccc4o3)[C@@H]2C)c1 ZINC001088846315 984977611 /nfs/dbraw/zinc/97/76/11/984977611.db2.gz IAFYLEXODXSXEM-PBHICJAKSA-N 1 2 360.417 2.597 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(Cl)nc3)[C@@H]2C)c1 ZINC001088846621 984978516 /nfs/dbraw/zinc/97/85/16/984978516.db2.gz XWPQLIRTAOEPDP-DYVFJYSZSA-N 1 2 354.841 2.504 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(Cl)nc3)[C@@H]2C)c1 ZINC001088846621 984978520 /nfs/dbraw/zinc/97/85/20/984978520.db2.gz XWPQLIRTAOEPDP-DYVFJYSZSA-N 1 2 354.841 2.504 20 30 FFEDLO CCc1oncc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088893407 985336656 /nfs/dbraw/zinc/33/66/56/985336656.db2.gz YUJHICLDNWJWHK-PXAZEXFGSA-N 1 2 356.401 2.641 20 30 FFEDLO CCc1oncc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088893407 985336665 /nfs/dbraw/zinc/33/66/65/985336665.db2.gz YUJHICLDNWJWHK-PXAZEXFGSA-N 1 2 356.401 2.641 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088939929 985529717 /nfs/dbraw/zinc/52/97/17/985529717.db2.gz RFXIEYMZVKVAMV-PXAZEXFGSA-N 1 2 356.376 2.624 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088939929 985529724 /nfs/dbraw/zinc/52/97/24/985529724.db2.gz RFXIEYMZVKVAMV-PXAZEXFGSA-N 1 2 356.376 2.624 20 30 FFEDLO C[C@H]1Cc2ccccc2C[N@@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000172927049 985715215 /nfs/dbraw/zinc/71/52/15/985715215.db2.gz PAUPDOLNHUBOKX-INIZCTEOSA-N 1 2 374.444 2.727 20 30 FFEDLO C[C@H]1Cc2ccccc2C[N@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000172927049 985715223 /nfs/dbraw/zinc/71/52/23/985715223.db2.gz PAUPDOLNHUBOKX-INIZCTEOSA-N 1 2 374.444 2.727 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1C)c1cccnc1 ZINC001088987947 985770965 /nfs/dbraw/zinc/77/09/65/985770965.db2.gz XTILCSPZBXERCJ-SXGZJXTBSA-N 1 2 366.440 2.975 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1C)c1cccnc1 ZINC001088987947 985770976 /nfs/dbraw/zinc/77/09/76/985770976.db2.gz XTILCSPZBXERCJ-SXGZJXTBSA-N 1 2 366.440 2.975 20 30 FFEDLO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@H+](Cc3cc(C)on3)[C@@H]2C)cc1 ZINC001089064868 986151412 /nfs/dbraw/zinc/15/14/12/986151412.db2.gz AUKGAHDWFRPDTP-UZLBHIALSA-N 1 2 369.465 2.870 20 30 FFEDLO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@@H+](Cc3cc(C)on3)[C@@H]2C)cc1 ZINC001089064868 986151417 /nfs/dbraw/zinc/15/14/17/986151417.db2.gz AUKGAHDWFRPDTP-UZLBHIALSA-N 1 2 369.465 2.870 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C(F)F)c3)C[C@H]2O)cc1 ZINC001077493957 986440014 /nfs/dbraw/zinc/44/00/14/986440014.db2.gz SGCOBWLMUGXUHP-RTBURBONSA-N 1 2 370.399 2.581 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C(F)F)c3)C[C@H]2O)cc1 ZINC001077493957 986440019 /nfs/dbraw/zinc/44/00/19/986440019.db2.gz SGCOBWLMUGXUHP-RTBURBONSA-N 1 2 370.399 2.581 20 30 FFEDLO CCOC(=O)c1c(C)ccnc1C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000878801512 1015227375 /nfs/dbraw/zinc/22/73/75/1015227375.db2.gz WSTQJCXYJNEITR-GOSISDBHSA-N 1 2 353.422 2.604 20 30 FFEDLO CCOC(=O)c1c(C)ccnc1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000878801512 1015227380 /nfs/dbraw/zinc/22/73/80/1015227380.db2.gz WSTQJCXYJNEITR-GOSISDBHSA-N 1 2 353.422 2.604 20 30 FFEDLO C#CCOc1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000152244302 987099848 /nfs/dbraw/zinc/09/98/48/987099848.db2.gz KIOYHTPXOUYFND-UHFFFAOYSA-N 1 2 350.418 2.783 20 30 FFEDLO C#CCNC(=O)c1cccc(-c2noc(Cc3cn4cccc(C)c4[nH+]3)n2)c1 ZINC000761793631 987829537 /nfs/dbraw/zinc/82/95/37/987829537.db2.gz BCGJBRVUMVIOQZ-UHFFFAOYSA-N 1 2 371.400 2.647 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(CNc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001090000897 987967553 /nfs/dbraw/zinc/96/75/53/987967553.db2.gz GMLLHEXBFGZGAI-SJORKVTESA-N 1 2 370.497 2.952 20 30 FFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)c(C#N)c1C ZINC000879243543 1015433184 /nfs/dbraw/zinc/43/31/84/1015433184.db2.gz WLLSMVIFIAKOKX-IEBWSBKVSA-N 1 2 353.422 2.905 20 30 FFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)c(C#N)c1C ZINC000879243543 1015433190 /nfs/dbraw/zinc/43/31/90/1015433190.db2.gz WLLSMVIFIAKOKX-IEBWSBKVSA-N 1 2 353.422 2.905 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)c(F)c1 ZINC001007998029 1015451891 /nfs/dbraw/zinc/45/18/91/1015451891.db2.gz DZQITTGUIGTFQQ-GGPKGHCWSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)c(F)c1 ZINC001007998029 1015451896 /nfs/dbraw/zinc/45/18/96/1015451896.db2.gz DZQITTGUIGTFQQ-GGPKGHCWSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)ccc1F ZINC001008001866 1015452585 /nfs/dbraw/zinc/45/25/85/1015452585.db2.gz XDFZQTCQBMOESR-NSHGMRRFSA-N 1 2 371.456 2.593 20 30 FFEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)ccc1F ZINC001008001866 1015452590 /nfs/dbraw/zinc/45/25/90/1015452590.db2.gz XDFZQTCQBMOESR-NSHGMRRFSA-N 1 2 371.456 2.593 20 30 FFEDLO C[C@]1(CNC(=O)C[C@@H]2C[C@H]2C2CC2)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108090537 989296991 /nfs/dbraw/zinc/29/69/91/989296991.db2.gz WQGSCQDOXGKLSP-ONTIZHBOSA-N 1 2 367.493 2.702 20 30 FFEDLO C[C@]1(CNC(=O)C[C@@H]2C[C@H]2C2CC2)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108090537 989297001 /nfs/dbraw/zinc/29/70/01/989297001.db2.gz WQGSCQDOXGKLSP-ONTIZHBOSA-N 1 2 367.493 2.702 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC001033498815 989628602 /nfs/dbraw/zinc/62/86/02/989628602.db2.gz DQSZDAKNYSFJDD-BXWFABGCSA-N 1 2 361.486 2.812 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ncc(C(C)C)o2)C1 ZINC001033498815 989628607 /nfs/dbraw/zinc/62/86/07/989628607.db2.gz DQSZDAKNYSFJDD-BXWFABGCSA-N 1 2 361.486 2.812 20 30 FFEDLO CN(c1ccccc1C=[NH+]Nc1ccc(C(=O)[O-])cn1)C1CC[NH+](C)CC1 ZINC000763368009 989777649 /nfs/dbraw/zinc/77/76/49/989777649.db2.gz IMHBNBSPTFUXMP-UHFFFAOYSA-N 1 2 367.453 2.756 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC2(C[NH+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001035796880 990554171 /nfs/dbraw/zinc/55/41/71/990554171.db2.gz QEPUOHSJSNBWSB-BEFAXECRSA-N 1 2 371.456 2.547 20 30 FFEDLO N#CC1(NC(=O)C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)CCCCC1 ZINC000879548983 1015584240 /nfs/dbraw/zinc/58/42/40/1015584240.db2.gz KYYNGUBYEIXTJS-UHFFFAOYSA-N 1 2 371.485 2.859 20 30 FFEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1Cc2ccccc2C1 ZINC000920087605 990791233 /nfs/dbraw/zinc/79/12/33/990791233.db2.gz NILMKVMNZOSJQE-GOSISDBHSA-N 1 2 372.428 2.611 20 30 FFEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1Cc2ccccc2C1 ZINC000920087605 990791239 /nfs/dbraw/zinc/79/12/39/990791239.db2.gz NILMKVMNZOSJQE-GOSISDBHSA-N 1 2 372.428 2.611 20 30 FFEDLO C#CCCCCC(=O)N1CCC([C@@H]2OCC[C@H]2Nc2cc[nH+]c(C)n2)CC1 ZINC001090281593 991139098 /nfs/dbraw/zinc/13/90/98/991139098.db2.gz DMROLYYBAOIXNP-NQIIRXRSSA-N 1 2 370.497 2.787 20 30 FFEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2oc(C)cc2C)C1 ZINC001079131203 991788865 /nfs/dbraw/zinc/78/88/65/991788865.db2.gz GQXOEEKKXZNYLB-WOJBJXKFSA-N 1 2 366.461 2.607 20 30 FFEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2oc(C)cc2C)C1 ZINC001079131203 991788873 /nfs/dbraw/zinc/78/88/73/991788873.db2.gz GQXOEEKKXZNYLB-WOJBJXKFSA-N 1 2 366.461 2.607 20 30 FFEDLO Cc1cnccc1CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001079702514 992343042 /nfs/dbraw/zinc/34/30/42/992343042.db2.gz MQOOCHUXZCFRDY-FOIQADDNSA-N 1 2 366.440 2.580 20 30 FFEDLO Cc1cnccc1CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001079702514 992343052 /nfs/dbraw/zinc/34/30/52/992343052.db2.gz MQOOCHUXZCFRDY-FOIQADDNSA-N 1 2 366.440 2.580 20 30 FFEDLO C[C@H]1[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCOC1(C)C ZINC000763626661 992506430 /nfs/dbraw/zinc/50/64/30/992506430.db2.gz DDAOVASTDQVPSL-HIFRSBDPSA-N 1 2 350.422 2.723 20 30 FFEDLO C[C@H]1[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCOC1(C)C ZINC000763626661 992506439 /nfs/dbraw/zinc/50/64/39/992506439.db2.gz DDAOVASTDQVPSL-HIFRSBDPSA-N 1 2 350.422 2.723 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)Cc1ccccc1 ZINC001079975774 992637024 /nfs/dbraw/zinc/63/70/24/992637024.db2.gz CLMHKBCXHJXTAO-FOIQADDNSA-N 1 2 351.425 2.877 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)Cc1ccccc1 ZINC001079975774 992637030 /nfs/dbraw/zinc/63/70/30/992637030.db2.gz CLMHKBCXHJXTAO-FOIQADDNSA-N 1 2 351.425 2.877 20 30 FFEDLO Cc1cnc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)c(C)c1 ZINC001080172657 992820994 /nfs/dbraw/zinc/82/09/94/992820994.db2.gz QALXLSVOCSDBCI-DNVCBOLYSA-N 1 2 366.440 2.960 20 30 FFEDLO Cc1cnc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)c(C)c1 ZINC001080172657 992821001 /nfs/dbraw/zinc/82/10/01/992821001.db2.gz QALXLSVOCSDBCI-DNVCBOLYSA-N 1 2 366.440 2.960 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3csc(CC)n3)C[C@H]2C)cc1 ZINC001080244612 992869219 /nfs/dbraw/zinc/86/92/19/992869219.db2.gz CHZYJCSQFJKAFJ-RDTXWAMCSA-N 1 2 353.491 2.937 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3csc(CC)n3)C[C@H]2C)cc1 ZINC001080244612 992869230 /nfs/dbraw/zinc/86/92/30/992869230.db2.gz CHZYJCSQFJKAFJ-RDTXWAMCSA-N 1 2 353.491 2.937 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccncc3Cl)C[C@H]2C)cc1 ZINC001080244607 992869421 /nfs/dbraw/zinc/86/94/21/992869421.db2.gz CAACPOVHLRENTB-AUUYWEPGSA-N 1 2 353.853 2.967 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccncc3Cl)C[C@H]2C)cc1 ZINC001080244607 992869431 /nfs/dbraw/zinc/86/94/31/992869431.db2.gz CAACPOVHLRENTB-AUUYWEPGSA-N 1 2 353.853 2.967 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cccc(C)c2)C1 ZINC001080359745 992961576 /nfs/dbraw/zinc/96/15/76/992961576.db2.gz YWGWNQYBAURPMO-CZUORRHYSA-N 1 2 351.288 2.883 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cccc(C)c2)C1 ZINC001080359745 992961585 /nfs/dbraw/zinc/96/15/85/992961585.db2.gz YWGWNQYBAURPMO-CZUORRHYSA-N 1 2 351.288 2.883 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000880090560 1015753245 /nfs/dbraw/zinc/75/32/45/1015753245.db2.gz LPAZGIPZFQHASD-GJZGRUSLSA-N 1 2 359.470 2.631 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000880090560 1015753247 /nfs/dbraw/zinc/75/32/47/1015753247.db2.gz LPAZGIPZFQHASD-GJZGRUSLSA-N 1 2 359.470 2.631 20 30 FFEDLO Cc1c(C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)ccn1C ZINC001080400133 993030174 /nfs/dbraw/zinc/03/01/74/993030174.db2.gz VFGZJYICZDECMD-BFUOFWGJSA-N 1 2 354.429 2.595 20 30 FFEDLO Cc1c(C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)ccn1C ZINC001080400133 993030180 /nfs/dbraw/zinc/03/01/80/993030180.db2.gz VFGZJYICZDECMD-BFUOFWGJSA-N 1 2 354.429 2.595 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)cc3F)C[C@H]2C)c1 ZINC001080408836 993036827 /nfs/dbraw/zinc/03/68/27/993036827.db2.gz PXPJJLPPPLQOPF-BFUOFWGJSA-N 1 2 355.388 2.591 20 30 FFEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)cc3F)C[C@H]2C)c1 ZINC001080408836 993036835 /nfs/dbraw/zinc/03/68/35/993036835.db2.gz PXPJJLPPPLQOPF-BFUOFWGJSA-N 1 2 355.388 2.591 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(OC)c2)C1 ZINC001080836480 993382052 /nfs/dbraw/zinc/38/20/52/993382052.db2.gz KLASNMUBBQYGFR-IAQYHMDHSA-N 1 2 353.260 2.654 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(OC)c2)C1 ZINC001080836480 993382056 /nfs/dbraw/zinc/38/20/56/993382056.db2.gz KLASNMUBBQYGFR-IAQYHMDHSA-N 1 2 353.260 2.654 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001080926664 993483140 /nfs/dbraw/zinc/48/31/40/993483140.db2.gz AJRWOSZUVNGXTM-AUUYWEPGSA-N 1 2 369.440 2.786 20 30 FFEDLO CCc1noc(C)c1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001080926664 993483143 /nfs/dbraw/zinc/48/31/43/993483143.db2.gz AJRWOSZUVNGXTM-AUUYWEPGSA-N 1 2 369.440 2.786 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C(F)=C1CCCC1 ZINC001081537653 993873389 /nfs/dbraw/zinc/87/33/89/993873389.db2.gz PVRSRMTXOMBDEW-RTBURBONSA-N 1 2 356.441 2.651 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C(F)=C1CCCC1 ZINC001081537653 993873391 /nfs/dbraw/zinc/87/33/91/993873391.db2.gz PVRSRMTXOMBDEW-RTBURBONSA-N 1 2 356.441 2.651 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C1=CCCCCC1 ZINC001081591244 993900491 /nfs/dbraw/zinc/90/04/91/993900491.db2.gz KHVQEXIMCGHKAG-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C1=CCCCCC1 ZINC001081591244 993900503 /nfs/dbraw/zinc/90/05/03/993900503.db2.gz KHVQEXIMCGHKAG-WOJBJXKFSA-N 1 2 371.456 2.903 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001081933866 994057014 /nfs/dbraw/zinc/05/70/14/994057014.db2.gz ZDQABHOZKIPWRX-PSBWJHGTSA-N 1 2 373.472 2.695 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001081933866 994057025 /nfs/dbraw/zinc/05/70/25/994057025.db2.gz ZDQABHOZKIPWRX-PSBWJHGTSA-N 1 2 373.472 2.695 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C1(C2CC2)CCC1 ZINC001081989084 994085822 /nfs/dbraw/zinc/08/58/22/994085822.db2.gz BOUBNCCEJOVJMA-RTBURBONSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C1(C2CC2)CCC1 ZINC001081989084 994085833 /nfs/dbraw/zinc/08/58/33/994085833.db2.gz BOUBNCCEJOVJMA-RTBURBONSA-N 1 2 371.456 2.593 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001082221187 994285753 /nfs/dbraw/zinc/28/57/53/994285753.db2.gz RQHPODQOVIXELE-MTQWCTHYSA-N 1 2 372.896 2.553 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001082221187 994285764 /nfs/dbraw/zinc/28/57/64/994285764.db2.gz RQHPODQOVIXELE-MTQWCTHYSA-N 1 2 372.896 2.553 20 30 FFEDLO COc1ccc(C[N@H+](CCO)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000880570862 1015874147 /nfs/dbraw/zinc/87/41/47/1015874147.db2.gz HLQLDRCVOBJYBR-UHFFFAOYSA-N 1 2 364.405 2.611 20 30 FFEDLO COc1ccc(C[N@@H+](CCO)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000880570862 1015874153 /nfs/dbraw/zinc/87/41/53/1015874153.db2.gz HLQLDRCVOBJYBR-UHFFFAOYSA-N 1 2 364.405 2.611 20 30 FFEDLO COc1ccc(C[N@H+](CCO)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000880571542 1015875784 /nfs/dbraw/zinc/87/57/84/1015875784.db2.gz VMHAAZLXABXTIZ-UHFFFAOYSA-N 1 2 364.405 2.611 20 30 FFEDLO COc1ccc(C[N@@H+](CCO)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000880571542 1015875791 /nfs/dbraw/zinc/87/57/91/1015875791.db2.gz VMHAAZLXABXTIZ-UHFFFAOYSA-N 1 2 364.405 2.611 20 30 FFEDLO C#Cc1ccccc1CC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000809995560 994661589 /nfs/dbraw/zinc/66/15/89/994661589.db2.gz JEYIYVDTCGASFI-UHFFFAOYSA-N 1 2 362.473 2.954 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CC2)c1C#N ZINC000810039257 994686998 /nfs/dbraw/zinc/68/69/98/994686998.db2.gz BGQOUIUWTPWPFM-INIZCTEOSA-N 1 2 371.437 2.588 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCCC[C@H]2COC(=O)NC2CC2)c1C#N ZINC000810039257 994687006 /nfs/dbraw/zinc/68/70/06/994687006.db2.gz BGQOUIUWTPWPFM-INIZCTEOSA-N 1 2 371.437 2.588 20 30 FFEDLO C#CCNC(=O)C1CC[NH+](Cc2csc(COc3ccccc3)n2)CC1 ZINC000747816717 995534738 /nfs/dbraw/zinc/53/47/38/995534738.db2.gz RXUYWKNSHPPPJY-UHFFFAOYSA-N 1 2 369.490 2.684 20 30 FFEDLO CC1(C)CC(C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(C#N)c(F)c4)C[C@@H]32)C1 ZINC001083070034 996026213 /nfs/dbraw/zinc/02/62/13/996026213.db2.gz DNQHIHPSMPYKBV-RBUKOAKNSA-N 1 2 371.456 2.545 20 30 FFEDLO CC1(C)CC(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@@H]32)C1 ZINC001083070034 996026220 /nfs/dbraw/zinc/02/62/20/996026220.db2.gz DNQHIHPSMPYKBV-RBUKOAKNSA-N 1 2 371.456 2.545 20 30 FFEDLO Cc1cccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)n1 ZINC001084195087 996328360 /nfs/dbraw/zinc/32/83/60/996328360.db2.gz RPDRJHPYDSNCAK-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)n1 ZINC001084195087 996328366 /nfs/dbraw/zinc/32/83/66/996328366.db2.gz RPDRJHPYDSNCAK-YLJYHZDGSA-N 1 2 364.424 2.747 20 30 FFEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3coc(-c4ccc(F)cc4)n3)C[C@H]21 ZINC001084232908 996382633 /nfs/dbraw/zinc/38/26/33/996382633.db2.gz MRARJHNMNJRTBR-DDUZABMNSA-N 1 2 368.412 2.673 20 30 FFEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)C[C@H]21 ZINC001084232908 996382636 /nfs/dbraw/zinc/38/26/36/996382636.db2.gz MRARJHNMNJRTBR-DDUZABMNSA-N 1 2 368.412 2.673 20 30 FFEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3sccc3Br)C[C@H]21 ZINC001084233131 996383382 /nfs/dbraw/zinc/38/33/82/996383382.db2.gz UVRWMALNBONEJT-DMDPSCGWSA-N 1 2 368.300 2.703 20 30 FFEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3sccc3Br)C[C@H]21 ZINC001084233131 996383385 /nfs/dbraw/zinc/38/33/85/996383385.db2.gz UVRWMALNBONEJT-DMDPSCGWSA-N 1 2 368.300 2.703 20 30 FFEDLO CCc1nc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)co1 ZINC001084294276 996398958 /nfs/dbraw/zinc/39/89/58/996398958.db2.gz HUGFJQVADQBLPZ-CRAIPNDOSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)co1 ZINC001084294276 996398966 /nfs/dbraw/zinc/39/89/66/996398966.db2.gz HUGFJQVADQBLPZ-CRAIPNDOSA-N 1 2 368.412 2.594 20 30 FFEDLO Cc1cccnc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084263804 996409140 /nfs/dbraw/zinc/40/91/40/996409140.db2.gz WNZXZYCOEGYKJL-VQIMIIECSA-N 1 2 364.424 2.747 20 30 FFEDLO Cc1cccnc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084263804 996409143 /nfs/dbraw/zinc/40/91/43/996409143.db2.gz WNZXZYCOEGYKJL-VQIMIIECSA-N 1 2 364.424 2.747 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CCCCO4)[C@@H]3C2)c(F)c1 ZINC001084272346 996418149 /nfs/dbraw/zinc/41/81/49/996418149.db2.gz VMIIKEBCODAOFN-QWFCFKBJSA-N 1 2 371.456 2.689 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CCCCO4)[C@@H]3C2)c(F)c1 ZINC001084272346 996418153 /nfs/dbraw/zinc/41/81/53/996418153.db2.gz VMIIKEBCODAOFN-QWFCFKBJSA-N 1 2 371.456 2.689 20 30 FFEDLO CC[C@@H](SC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084283416 996427655 /nfs/dbraw/zinc/42/76/55/996427655.db2.gz ALRUQYNGKFHHEX-KBAYOESNSA-N 1 2 361.486 2.872 20 30 FFEDLO CC[C@@H](SC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084283416 996427656 /nfs/dbraw/zinc/42/76/56/996427656.db2.gz ALRUQYNGKFHHEX-KBAYOESNSA-N 1 2 361.486 2.872 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCCOCC4)[C@@H]3C2)c1 ZINC001084311581 996443062 /nfs/dbraw/zinc/44/30/62/996443062.db2.gz QPOGGTYNRUVFDQ-SQGPQFPESA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCCOCC4)[C@@H]3C2)c1 ZINC001084311581 996443066 /nfs/dbraw/zinc/44/30/66/996443066.db2.gz QPOGGTYNRUVFDQ-SQGPQFPESA-N 1 2 371.456 2.547 20 30 FFEDLO CC(C)c1n[nH]cc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084477085 996618409 /nfs/dbraw/zinc/61/84/09/996618409.db2.gz WBRUJZHLIXPEDH-CXAGYDPISA-N 1 2 369.494 2.813 20 30 FFEDLO CC(C)c1n[nH]cc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084477085 996618411 /nfs/dbraw/zinc/61/84/11/996618411.db2.gz WBRUJZHLIXPEDH-CXAGYDPISA-N 1 2 369.494 2.813 20 30 FFEDLO CC(C)c1cc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)no1 ZINC001084554813 996673917 /nfs/dbraw/zinc/67/39/17/996673917.db2.gz ISHPITNVRGFULX-UYAOXDASSA-N 1 2 363.461 2.996 20 30 FFEDLO CC(C)c1cc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)no1 ZINC001084554813 996673920 /nfs/dbraw/zinc/67/39/20/996673920.db2.gz ISHPITNVRGFULX-UYAOXDASSA-N 1 2 363.461 2.996 20 30 FFEDLO Cc1nocc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084627035 996741189 /nfs/dbraw/zinc/74/11/89/996741189.db2.gz ITFLUAQPQVUEOH-VQIMIIECSA-N 1 2 369.852 2.834 20 30 FFEDLO Cc1nocc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084627035 996741191 /nfs/dbraw/zinc/74/11/91/996741191.db2.gz ITFLUAQPQVUEOH-VQIMIIECSA-N 1 2 369.852 2.834 20 30 FFEDLO CCc1ncoc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084647987 996759762 /nfs/dbraw/zinc/75/97/62/996759762.db2.gz PEXSYSPCSVOSQM-RDTXWAMCSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1ncoc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084647987 996759764 /nfs/dbraw/zinc/75/97/64/996759764.db2.gz PEXSYSPCSVOSQM-RDTXWAMCSA-N 1 2 368.412 2.594 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C4CC5(CC5)C4)[C@@H]3C2)c1 ZINC001084651259 996763131 /nfs/dbraw/zinc/76/31/31/996763131.db2.gz GRSIAVPMROTNCO-DNVCBOLYSA-N 1 2 353.441 2.920 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)C4CC5(CC5)C4)[C@@H]3C2)c1 ZINC001084651259 996763138 /nfs/dbraw/zinc/76/31/38/996763138.db2.gz GRSIAVPMROTNCO-DNVCBOLYSA-N 1 2 353.441 2.920 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3conc3C3CC3)[C@@H]2C1 ZINC001084653826 996766879 /nfs/dbraw/zinc/76/68/79/996766879.db2.gz XIJUHDMJZJNGTQ-IEBWSBKVSA-N 1 2 362.433 2.770 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3conc3C3CC3)[C@@H]2C1 ZINC001084653826 996766881 /nfs/dbraw/zinc/76/68/81/996766881.db2.gz XIJUHDMJZJNGTQ-IEBWSBKVSA-N 1 2 362.433 2.770 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)C3(C(F)(F)F)CC3)[C@@H]2C1 ZINC001084679352 996832973 /nfs/dbraw/zinc/83/29/73/996832973.db2.gz LSMJRVXMXBYMML-HZPDHXFCSA-N 1 2 363.383 2.933 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C(F)(F)F)CC3)[C@@H]2C1 ZINC001084679352 996832980 /nfs/dbraw/zinc/83/29/80/996832980.db2.gz LSMJRVXMXBYMML-HZPDHXFCSA-N 1 2 363.383 2.933 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1=O ZINC000824332462 996891886 /nfs/dbraw/zinc/89/18/86/996891886.db2.gz MEGQJTANJQAMFE-LJQANCHMSA-N 1 2 367.449 2.590 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1=O ZINC000824332462 996891894 /nfs/dbraw/zinc/89/18/94/996891894.db2.gz MEGQJTANJQAMFE-LJQANCHMSA-N 1 2 367.449 2.590 20 30 FFEDLO CCc1nc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)c(C)o1 ZINC001084716416 997039049 /nfs/dbraw/zinc/03/90/49/997039049.db2.gz DXUKFUPIGUNIMA-RTBURBONSA-N 1 2 363.461 2.743 20 30 FFEDLO CCc1nc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)c(C)o1 ZINC001084716416 997039057 /nfs/dbraw/zinc/03/90/57/997039057.db2.gz DXUKFUPIGUNIMA-RTBURBONSA-N 1 2 363.461 2.743 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ncccc4F)[C@@H]3C2)cc1F ZINC001084739607 997141722 /nfs/dbraw/zinc/14/17/22/997141722.db2.gz SODXPPSAGAYGGB-CRAIPNDOSA-N 1 2 368.387 2.578 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ncccc4F)[C@@H]3C2)cc1F ZINC001084739607 997141731 /nfs/dbraw/zinc/14/17/31/997141731.db2.gz SODXPPSAGAYGGB-CRAIPNDOSA-N 1 2 368.387 2.578 20 30 FFEDLO CCc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)no1 ZINC001084783137 997353139 /nfs/dbraw/zinc/35/31/39/997353139.db2.gz AIGKUZCHSNQVOY-AUUYWEPGSA-N 1 2 368.412 2.594 20 30 FFEDLO CCc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)no1 ZINC001084783137 997353153 /nfs/dbraw/zinc/35/31/53/997353153.db2.gz AIGKUZCHSNQVOY-AUUYWEPGSA-N 1 2 368.412 2.594 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001056423723 1016137823 /nfs/dbraw/zinc/13/78/23/1016137823.db2.gz RRFKOQNHQBXGGR-XYVMCAHJSA-N 1 2 370.497 2.707 20 30 FFEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001056423723 1016137826 /nfs/dbraw/zinc/13/78/26/1016137826.db2.gz RRFKOQNHQBXGGR-XYVMCAHJSA-N 1 2 370.497 2.707 20 30 FFEDLO N#Cc1cccc(Cl)c1C[N@H+]1C[C@@H](NC(=O)C2CC2)[C@H]2OCCC[C@H]2C1 ZINC001143724767 997602849 /nfs/dbraw/zinc/60/28/49/997602849.db2.gz RPAKTWOPJYIIJE-IPELMVKDSA-N 1 2 373.884 2.717 20 30 FFEDLO N#Cc1cccc(Cl)c1C[N@@H+]1C[C@@H](NC(=O)C2CC2)[C@H]2OCCC[C@H]2C1 ZINC001143724767 997602856 /nfs/dbraw/zinc/60/28/56/997602856.db2.gz RPAKTWOPJYIIJE-IPELMVKDSA-N 1 2 373.884 2.717 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)on2)C[C@H]1NC(=O)CSCC#N ZINC001206095699 1032140613 /nfs/dbraw/zinc/14/06/13/1032140613.db2.gz BXGMZNPBIAERTO-RHSMWYFYSA-N 1 2 370.478 2.535 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)on2)C[C@H]1NC(=O)CSCC#N ZINC001206095699 1032140619 /nfs/dbraw/zinc/14/06/19/1032140619.db2.gz BXGMZNPBIAERTO-RHSMWYFYSA-N 1 2 370.478 2.535 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C)n(C)n3)C[C@H]21)c1ccccc1 ZINC001084847180 997632976 /nfs/dbraw/zinc/63/29/76/997632976.db2.gz MGJKSHHXHDTWEX-HLAWJBBLSA-N 1 2 364.493 2.731 20 30 FFEDLO C=C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C)n(C)n3)C[C@H]21)c1ccccc1 ZINC001084847180 997632978 /nfs/dbraw/zinc/63/29/78/997632978.db2.gz MGJKSHHXHDTWEX-HLAWJBBLSA-N 1 2 364.493 2.731 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21)C1CCOCC1 ZINC001084872951 997757471 /nfs/dbraw/zinc/75/74/71/997757471.db2.gz JHQKJLYFQAJEIB-MAODMQOUSA-N 1 2 367.493 2.654 20 30 FFEDLO C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21)C1CCOCC1 ZINC001084872951 997757483 /nfs/dbraw/zinc/75/74/83/997757483.db2.gz JHQKJLYFQAJEIB-MAODMQOUSA-N 1 2 367.493 2.654 20 30 FFEDLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844331501 997789773 /nfs/dbraw/zinc/78/97/73/997789773.db2.gz YVIRWJHZDFLOIF-MRXNPFEDSA-N 1 2 360.414 2.909 20 30 FFEDLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844331501 997789783 /nfs/dbraw/zinc/78/97/83/997789783.db2.gz YVIRWJHZDFLOIF-MRXNPFEDSA-N 1 2 360.414 2.909 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccncc3)C[C@@H]21 ZINC001084880551 997815763 /nfs/dbraw/zinc/81/57/63/997815763.db2.gz VSLZPSHXMNJPCC-HIFRSBDPSA-N 1 2 350.260 2.527 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccncc3)C[C@@H]21 ZINC001084880551 997815773 /nfs/dbraw/zinc/81/57/73/997815773.db2.gz VSLZPSHXMNJPCC-HIFRSBDPSA-N 1 2 350.260 2.527 20 30 FFEDLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368960 997844819 /nfs/dbraw/zinc/84/48/19/997844819.db2.gz UMLYBXMBGDSHTK-SJKOYZFVSA-N 1 2 359.376 2.829 20 30 FFEDLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368960 997844837 /nfs/dbraw/zinc/84/48/37/997844837.db2.gz UMLYBXMBGDSHTK-SJKOYZFVSA-N 1 2 359.376 2.829 20 30 FFEDLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844368955 997845529 /nfs/dbraw/zinc/84/55/29/997845529.db2.gz UMLYBXMBGDSHTK-PXAZEXFGSA-N 1 2 359.376 2.829 20 30 FFEDLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844368955 997845535 /nfs/dbraw/zinc/84/55/35/997845535.db2.gz UMLYBXMBGDSHTK-PXAZEXFGSA-N 1 2 359.376 2.829 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCOC3)C[C@@H]21 ZINC001084903414 997975034 /nfs/dbraw/zinc/97/50/34/997975034.db2.gz BNIHLFDPPOBSLF-MDYRTPRTSA-N 1 2 371.456 2.547 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCOC3)C[C@@H]21 ZINC001084903414 997975046 /nfs/dbraw/zinc/97/50/46/997975046.db2.gz BNIHLFDPPOBSLF-MDYRTPRTSA-N 1 2 371.456 2.547 20 30 FFEDLO Cc1ccc(NC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c(N(C)C)[nH+]1 ZINC000844571072 997997573 /nfs/dbraw/zinc/99/75/73/997997573.db2.gz ZNIXYTYCDTYCOM-KRWDZBQOSA-N 1 2 353.426 2.525 20 30 FFEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3oc(C)nc3C)C[C@@H]21 ZINC001084911483 998034834 /nfs/dbraw/zinc/03/48/34/998034834.db2.gz GGYQLXSQAQKSDM-KGLIPLIRSA-N 1 2 368.275 2.736 20 30 FFEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3oc(C)nc3C)C[C@@H]21 ZINC001084911483 998034847 /nfs/dbraw/zinc/03/48/47/998034847.db2.gz GGYQLXSQAQKSDM-KGLIPLIRSA-N 1 2 368.275 2.736 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)nc1 ZINC001144169676 998107619 /nfs/dbraw/zinc/10/76/19/998107619.db2.gz QYCXLKOWRDRGKO-MRXNPFEDSA-N 1 2 350.397 2.713 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)nc1 ZINC001144169676 998107625 /nfs/dbraw/zinc/10/76/25/998107625.db2.gz QYCXLKOWRDRGKO-MRXNPFEDSA-N 1 2 350.397 2.713 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(CC)no3)[C@H]2C1 ZINC001084948794 998269611 /nfs/dbraw/zinc/26/96/11/998269611.db2.gz CSNDLPFRHOUPLR-KGLIPLIRSA-N 1 2 366.893 2.834 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(CC)no3)[C@H]2C1 ZINC001084948794 998269625 /nfs/dbraw/zinc/26/96/25/998269625.db2.gz CSNDLPFRHOUPLR-KGLIPLIRSA-N 1 2 366.893 2.834 20 30 FFEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000845519221 998574603 /nfs/dbraw/zinc/57/46/03/998574603.db2.gz UBSRLIFQMNEDRS-KRWDZBQOSA-N 1 2 352.438 2.759 20 30 FFEDLO C#Cc1ccc(C[N@@H+]2CCc3onc(C(=O)Nc4cccnc4)c3C2)cc1 ZINC001144574022 998661740 /nfs/dbraw/zinc/66/17/40/998661740.db2.gz YXSLGHWUAMOUDR-UHFFFAOYSA-N 1 2 358.401 2.862 20 30 FFEDLO C#Cc1ccc(C[N@H+]2CCc3onc(C(=O)Nc4cccnc4)c3C2)cc1 ZINC001144574022 998661743 /nfs/dbraw/zinc/66/17/43/998661743.db2.gz YXSLGHWUAMOUDR-UHFFFAOYSA-N 1 2 358.401 2.862 20 30 FFEDLO C[C@@H](C(=O)OCCOc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000735958951 999524239 /nfs/dbraw/zinc/52/42/39/999524239.db2.gz OBICISJSFGXWPQ-INIZCTEOSA-N 1 2 350.418 2.927 20 30 FFEDLO C[C@@H](C(=O)OCCOc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000735958951 999524242 /nfs/dbraw/zinc/52/42/42/999524242.db2.gz OBICISJSFGXWPQ-INIZCTEOSA-N 1 2 350.418 2.927 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001085600286 999586294 /nfs/dbraw/zinc/58/62/94/999586294.db2.gz PDBMEMFCBZSUHP-HBMCJLEFSA-N 1 2 370.468 2.691 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001085600286 999586299 /nfs/dbraw/zinc/58/62/99/999586299.db2.gz PDBMEMFCBZSUHP-HBMCJLEFSA-N 1 2 370.468 2.691 20 30 FFEDLO CC[N@H+](C)[C@@H](C(=O)OCC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000741150590 999712057 /nfs/dbraw/zinc/71/20/57/999712057.db2.gz JEYXSICOFAICJP-HXUWFJFHSA-N 1 2 365.433 2.927 20 30 FFEDLO CC[N@@H+](C)[C@@H](C(=O)OCC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000741150590 999712058 /nfs/dbraw/zinc/71/20/58/999712058.db2.gz JEYXSICOFAICJP-HXUWFJFHSA-N 1 2 365.433 2.927 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066369657 999744960 /nfs/dbraw/zinc/74/49/60/999744960.db2.gz RFEWFIUEAXOAMT-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066369657 999744961 /nfs/dbraw/zinc/74/49/61/999744961.db2.gz RFEWFIUEAXOAMT-ARFHVFGLSA-N 1 2 358.486 2.613 20 30 FFEDLO N#Cc1c(F)cccc1NCC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001066397596 999768621 /nfs/dbraw/zinc/76/86/21/999768621.db2.gz LFRUFFYKJVTIHA-RBSFLKMASA-N 1 2 367.428 2.875 20 30 FFEDLO N#Cc1c(F)cccc1NCC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001066397596 999768622 /nfs/dbraw/zinc/76/86/22/999768622.db2.gz LFRUFFYKJVTIHA-RBSFLKMASA-N 1 2 367.428 2.875 20 30 FFEDLO C#CCOc1cc(F)ccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000743195205 999805285 /nfs/dbraw/zinc/80/52/85/999805285.db2.gz VCYUNHFINXKKNW-UHFFFAOYSA-N 1 2 354.385 2.587 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000745079074 999893667 /nfs/dbraw/zinc/89/36/67/999893667.db2.gz JHHREMBLNYTVFO-AEFFLSMTSA-N 1 2 357.454 2.658 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC000745079074 999893669 /nfs/dbraw/zinc/89/36/69/999893669.db2.gz JHHREMBLNYTVFO-AEFFLSMTSA-N 1 2 357.454 2.658 20 30 FFEDLO C[S@](=O)CC[NH+]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000746475284 999996834 /nfs/dbraw/zinc/99/68/34/999996834.db2.gz QNDDAEPOLKGPPS-SANMLTNESA-N 1 2 367.518 2.721 20 30 FFEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1sccc1Cl ZINC001108947495 1000137334 /nfs/dbraw/zinc/13/73/34/1000137334.db2.gz VMPUVIFQUNNANZ-WXHSDQCUSA-N 1 2 355.916 2.880 20 30 FFEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1sccc1Cl ZINC001108947495 1000137335 /nfs/dbraw/zinc/13/73/35/1000137335.db2.gz VMPUVIFQUNNANZ-WXHSDQCUSA-N 1 2 355.916 2.880 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109038015 1000157206 /nfs/dbraw/zinc/15/72/06/1000157206.db2.gz KCGOHPJLCYRNCI-JBCDFXQESA-N 1 2 371.456 2.900 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109038015 1000157207 /nfs/dbraw/zinc/15/72/07/1000157207.db2.gz KCGOHPJLCYRNCI-JBCDFXQESA-N 1 2 371.456 2.900 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)n1 ZINC001109038686 1000157455 /nfs/dbraw/zinc/15/74/55/1000157455.db2.gz WQBOSXLVOIEWLJ-ORQFMDKSSA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)n1 ZINC001109038686 1000157456 /nfs/dbraw/zinc/15/74/56/1000157456.db2.gz WQBOSXLVOIEWLJ-ORQFMDKSSA-N 1 2 363.889 2.938 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)cc1OC ZINC001109070556 1000161614 /nfs/dbraw/zinc/16/16/14/1000161614.db2.gz CAXGDYOIPSWVMS-IKGGRYGDSA-N 1 2 364.873 2.773 20 30 FFEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)cc1OC ZINC001109070556 1000161616 /nfs/dbraw/zinc/16/16/16/1000161616.db2.gz CAXGDYOIPSWVMS-IKGGRYGDSA-N 1 2 364.873 2.773 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1coc(-c2cccc(F)c2)n1 ZINC001109088848 1000166289 /nfs/dbraw/zinc/16/62/89/1000166289.db2.gz SWGAASKUSZUBIP-LSZYVWPRSA-N 1 2 368.412 2.862 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1coc(-c2cccc(F)c2)n1 ZINC001109088848 1000166290 /nfs/dbraw/zinc/16/62/90/1000166290.db2.gz SWGAASKUSZUBIP-LSZYVWPRSA-N 1 2 368.412 2.862 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(c2ccccc2)C1=O ZINC001109353051 1000298244 /nfs/dbraw/zinc/29/82/44/1000298244.db2.gz HGUVNINQKGZOTR-FUMNGEBKSA-N 1 2 367.493 2.870 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(c2ccccc2)C1=O ZINC001109353051 1000298248 /nfs/dbraw/zinc/29/82/48/1000298248.db2.gz HGUVNINQKGZOTR-FUMNGEBKSA-N 1 2 367.493 2.870 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(F)cc1F)C2 ZINC001109370565 1000333308 /nfs/dbraw/zinc/33/33/08/1000333308.db2.gz WZMUOJPEGMLKJA-SNPRPXQTSA-N 1 2 356.800 2.818 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(F)cc1F)C2 ZINC001109370565 1000333311 /nfs/dbraw/zinc/33/33/11/1000333311.db2.gz WZMUOJPEGMLKJA-SNPRPXQTSA-N 1 2 356.800 2.818 20 30 FFEDLO Cc1nsc(N[C@@H]2CCCC[C@H]2NC(=O)CCc2[nH]cc[nH+]2)c1C#N ZINC001091256910 1000340683 /nfs/dbraw/zinc/34/06/83/1000340683.db2.gz SOTCMBLZHDROSQ-ZIAGYGMSSA-N 1 2 358.471 2.518 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC001091296181 1000381426 /nfs/dbraw/zinc/38/14/26/1000381426.db2.gz UBFHNJXSQADSJJ-QZTJIDSGSA-N 1 2 371.529 2.906 20 30 FFEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001091296181 1000381429 /nfs/dbraw/zinc/38/14/29/1000381429.db2.gz UBFHNJXSQADSJJ-QZTJIDSGSA-N 1 2 371.529 2.906 20 30 FFEDLO CC(C)(C)OC(=O)Nc1cccc(C[NH+]2CCN(C(=O)CC#N)CC2)c1 ZINC000846953442 1000496327 /nfs/dbraw/zinc/49/63/27/1000496327.db2.gz BFHJVCOEMXECGH-UHFFFAOYSA-N 1 2 358.442 2.591 20 30 FFEDLO C=CCCn1cc(C[NH+]2CCC3(CCN3C(=O)OC(C)(C)C)CC2)nn1 ZINC000847003709 1000510814 /nfs/dbraw/zinc/51/08/14/1000510814.db2.gz PSJCUGVDHXDMPI-UHFFFAOYSA-N 1 2 361.490 2.830 20 30 FFEDLO COCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CCC1 ZINC001109534890 1000615923 /nfs/dbraw/zinc/61/59/23/1000615923.db2.gz YCUWJLFPYGMQON-QYZOEREBSA-N 1 2 353.466 2.596 20 30 FFEDLO COCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CCC1 ZINC001109534890 1000615928 /nfs/dbraw/zinc/61/59/28/1000615928.db2.gz YCUWJLFPYGMQON-QYZOEREBSA-N 1 2 353.466 2.596 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCCC1 ZINC001109605898 1000715816 /nfs/dbraw/zinc/71/58/16/1000715816.db2.gz WUNRNKIWDSQTMG-SQNIBIBYSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCCC1 ZINC001109605898 1000715818 /nfs/dbraw/zinc/71/58/18/1000715818.db2.gz WUNRNKIWDSQTMG-SQNIBIBYSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2c(C)nnn2CC)CCC1 ZINC001109683250 1000839455 /nfs/dbraw/zinc/83/94/55/1000839455.db2.gz DNGWVWZDKFRMQP-IKGGRYGDSA-N 1 2 357.502 2.574 20 30 FFEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2c(C)nnn2CC)CCC1 ZINC001109683250 1000839459 /nfs/dbraw/zinc/83/94/59/1000839459.db2.gz DNGWVWZDKFRMQP-IKGGRYGDSA-N 1 2 357.502 2.574 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC(C)(C)C ZINC001109683408 1000839810 /nfs/dbraw/zinc/83/98/10/1000839810.db2.gz KGVKASPIDQMJOK-MXTNKPTQSA-N 1 2 363.546 2.863 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC(C)(C)C ZINC001109683408 1000839815 /nfs/dbraw/zinc/83/98/15/1000839815.db2.gz KGVKASPIDQMJOK-MXTNKPTQSA-N 1 2 363.546 2.863 20 30 FFEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001091688849 1001084390 /nfs/dbraw/zinc/08/43/90/1001084390.db2.gz VRWRZSVMZMDSNL-KYJSFNMBSA-N 1 2 370.497 2.740 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1CNc1cccc(F)c1C#N ZINC001054680592 1016483518 /nfs/dbraw/zinc/48/35/18/1016483518.db2.gz WHIZFUJMTGOEIK-KBUPBQIOSA-N 1 2 367.428 2.731 20 30 FFEDLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1CNc1cccc(F)c1C#N ZINC001054680592 1016483525 /nfs/dbraw/zinc/48/35/25/1016483525.db2.gz WHIZFUJMTGOEIK-KBUPBQIOSA-N 1 2 367.428 2.731 20 30 FFEDLO CC[C@]1(C)C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000785494717 1001444922 /nfs/dbraw/zinc/44/49/22/1001444922.db2.gz HWKXRXQHJNWGSB-FOIQADDNSA-N 1 2 350.422 2.725 20 30 FFEDLO CC[C@]1(C)C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000785494717 1001444923 /nfs/dbraw/zinc/44/49/23/1001444923.db2.gz HWKXRXQHJNWGSB-FOIQADDNSA-N 1 2 350.422 2.725 20 30 FFEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)C[C@H]2C1 ZINC001091855683 1001999983 /nfs/dbraw/zinc/99/99/83/1001999983.db2.gz KYOGHBZEPRTJCR-JQHSSLGASA-N 1 2 370.497 2.538 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C5CC5)o4)C[C@@]3(C)C2)CC1 ZINC001091979035 1002240607 /nfs/dbraw/zinc/24/06/07/1002240607.db2.gz QZZMZXOYUAPIRP-UTKZUKDTSA-N 1 2 370.497 2.974 20 30 FFEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C5CC5)o4)C[C@@]3(C)C2)CC1 ZINC001091979035 1002240616 /nfs/dbraw/zinc/24/06/16/1002240616.db2.gz QZZMZXOYUAPIRP-UTKZUKDTSA-N 1 2 370.497 2.974 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nccc(C)n2)C1 ZINC001086585795 1002345986 /nfs/dbraw/zinc/34/59/86/1002345986.db2.gz PUCGQCAIXBUDJJ-DLBZAZTESA-N 1 2 356.857 2.735 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nccc(C)n2)C1 ZINC001086585795 1002345996 /nfs/dbraw/zinc/34/59/96/1002345996.db2.gz PUCGQCAIXBUDJJ-DLBZAZTESA-N 1 2 356.857 2.735 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)c1cnsn1 ZINC001096846943 1016630783 /nfs/dbraw/zinc/63/07/83/1016630783.db2.gz UEIASHBIEFAFKI-INMHGKMJSA-N 1 2 372.881 2.578 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)c1cnsn1 ZINC001096846943 1016630795 /nfs/dbraw/zinc/63/07/95/1016630795.db2.gz UEIASHBIEFAFKI-INMHGKMJSA-N 1 2 372.881 2.578 20 30 FFEDLO C=CC[C@]1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCCN1C(=O)OC(C)(C)C ZINC000790928688 1002513147 /nfs/dbraw/zinc/51/31/47/1002513147.db2.gz JQAGOZSWSLZKLJ-FOIQADDNSA-N 1 2 374.485 2.660 20 30 FFEDLO CCO[C@@H](CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110348034 1002546020 /nfs/dbraw/zinc/54/60/20/1002546020.db2.gz PZDCCMGVXAJIQO-YSHGAJCASA-N 1 2 359.445 2.734 20 30 FFEDLO CCO[C@@H](CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110348034 1002546029 /nfs/dbraw/zinc/54/60/29/1002546029.db2.gz PZDCCMGVXAJIQO-YSHGAJCASA-N 1 2 359.445 2.734 20 30 FFEDLO C=C(CC(=O)OCCCC)C(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001184309799 1002555217 /nfs/dbraw/zinc/55/52/17/1002555217.db2.gz AGPDKMUKZYCULZ-HNNXBMFYSA-N 1 2 358.429 2.608 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cccc(F)n2)C1 ZINC001092314338 1002665165 /nfs/dbraw/zinc/66/51/65/1002665165.db2.gz GHJIZMSPQSYSMZ-HUUCEWRRSA-N 1 2 371.460 2.963 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccnc(C)n2)C1 ZINC001092315570 1002668565 /nfs/dbraw/zinc/66/85/65/1002668565.db2.gz GRLUJQGKRDCBMF-BRWVUGGUSA-N 1 2 368.485 2.527 20 30 FFEDLO Cc1nc(N2C[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@]3(C)C2)c(C)c(C)[nH+]1 ZINC001092285475 1002691275 /nfs/dbraw/zinc/69/12/75/1002691275.db2.gz IQYHIPORVZOMOS-LAUBAEHRSA-N 1 2 354.498 2.736 20 30 FFEDLO O=C(Cc1ccon1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001096894628 1016692301 /nfs/dbraw/zinc/69/23/01/1016692301.db2.gz OINXVLCCBMLHRY-QRVBRYPASA-N 1 2 369.852 2.644 20 30 FFEDLO O=C(Cc1ccon1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001096894628 1016692313 /nfs/dbraw/zinc/69/23/13/1016692313.db2.gz OINXVLCCBMLHRY-QRVBRYPASA-N 1 2 369.852 2.644 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3nccn3C)C[C@H]2c2ccccc2)C1 ZINC001086608255 1003023056 /nfs/dbraw/zinc/02/30/56/1003023056.db2.gz XLMXKMQIWDXLDI-RBUKOAKNSA-N 1 2 364.493 2.861 20 30 FFEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3nccn3C)C[C@H]2c2ccccc2)C1 ZINC001086608255 1003023068 /nfs/dbraw/zinc/02/30/68/1003023068.db2.gz XLMXKMQIWDXLDI-RBUKOAKNSA-N 1 2 364.493 2.861 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(C)c(C)c1 ZINC001110377314 1003228161 /nfs/dbraw/zinc/22/81/61/1003228161.db2.gz GKGAJCXUZHBKFL-QRVBRYPASA-N 1 2 355.482 2.930 20 30 FFEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(C)c(C)c1 ZINC001110377314 1003228165 /nfs/dbraw/zinc/22/81/65/1003228165.db2.gz GKGAJCXUZHBKFL-QRVBRYPASA-N 1 2 355.482 2.930 20 30 FFEDLO C=C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC)c1ccccc1 ZINC001110134217 1003232162 /nfs/dbraw/zinc/23/21/62/1003232162.db2.gz RPHIPBUVQHQZPF-LMCOJAPRSA-N 1 2 369.509 2.594 20 30 FFEDLO C=C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC)c1ccccc1 ZINC001110134217 1003232171 /nfs/dbraw/zinc/23/21/71/1003232171.db2.gz RPHIPBUVQHQZPF-LMCOJAPRSA-N 1 2 369.509 2.594 20 30 FFEDLO Cc1nc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC#Cc2ccccc2)C3)oc1C ZINC001110134963 1003373626 /nfs/dbraw/zinc/37/36/26/1003373626.db2.gz FMUDKFKTVLYIDZ-AABGKKOBSA-N 1 2 363.461 2.955 20 30 FFEDLO Cc1nc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC#Cc2ccccc2)C3)oc1C ZINC001110134963 1003373634 /nfs/dbraw/zinc/37/36/34/1003373634.db2.gz FMUDKFKTVLYIDZ-AABGKKOBSA-N 1 2 363.461 2.955 20 30 FFEDLO C=CCOCC(=O)NC[C@]12CCC[C@H]1N(c1cc(C)[nH+]c(C3CC3)n1)CC2 ZINC001092687367 1003377409 /nfs/dbraw/zinc/37/74/09/1003377409.db2.gz VENGYBVTALEXPS-DYESRHJHSA-N 1 2 370.497 2.730 20 30 FFEDLO N#CCSCC(=O)N1CC[C@H]2C[N@@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001186917375 1003489607 /nfs/dbraw/zinc/48/96/07/1003489607.db2.gz METLIFBWAPWQCR-BLLLJJGKSA-N 1 2 367.877 2.769 20 30 FFEDLO N#CCSCC(=O)N1CC[C@H]2C[N@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001186917375 1003489611 /nfs/dbraw/zinc/48/96/11/1003489611.db2.gz METLIFBWAPWQCR-BLLLJJGKSA-N 1 2 367.877 2.769 20 30 FFEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@](C)(CC)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129441388 1003655517 /nfs/dbraw/zinc/65/55/17/1003655517.db2.gz SGIPNNRKFYUGSG-HBFSDRIKSA-N 1 2 359.518 2.640 20 30 FFEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@](C)(CC)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129441388 1003655522 /nfs/dbraw/zinc/65/55/22/1003655522.db2.gz SGIPNNRKFYUGSG-HBFSDRIKSA-N 1 2 359.518 2.640 20 30 FFEDLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2noc([C@]3(C#N)CCCOC3)n2)C1 ZINC000867180908 1003822174 /nfs/dbraw/zinc/82/21/74/1003822174.db2.gz IZRWFDKYDZQLPW-XLIONFOSSA-N 1 2 368.437 2.523 20 30 FFEDLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc([C@]3(C#N)CCCOC3)n2)C1 ZINC000867180908 1003822191 /nfs/dbraw/zinc/82/21/91/1003822191.db2.gz IZRWFDKYDZQLPW-XLIONFOSSA-N 1 2 368.437 2.523 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804761764 1003836210 /nfs/dbraw/zinc/83/62/10/1003836210.db2.gz AOBHADMOOIWXHF-OXQOHEQNSA-N 1 2 365.518 2.742 20 30 FFEDLO CC(C)[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001191696329 1003932294 /nfs/dbraw/zinc/93/22/94/1003932294.db2.gz DHTUWBSSYKVUAZ-ATZDWAIDSA-N 1 2 362.901 2.535 20 30 FFEDLO CC(C)[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001191696329 1003932303 /nfs/dbraw/zinc/93/23/03/1003932303.db2.gz DHTUWBSSYKVUAZ-ATZDWAIDSA-N 1 2 362.901 2.535 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)c1ccc(F)cn1 ZINC001096988187 1016838557 /nfs/dbraw/zinc/83/85/57/1016838557.db2.gz UCYRGHROSOEJGD-RLLQIKCJSA-N 1 2 367.399 2.747 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)c1ccc(F)cn1 ZINC001096988187 1016838577 /nfs/dbraw/zinc/83/85/77/1016838577.db2.gz UCYRGHROSOEJGD-RLLQIKCJSA-N 1 2 367.399 2.747 20 30 FFEDLO CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001196942327 1004019400 /nfs/dbraw/zinc/01/94/00/1004019400.db2.gz AJJCLWWGMWYFOE-AWEZNQCLSA-N 1 2 365.275 2.604 20 30 FFEDLO CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC001196942327 1004019408 /nfs/dbraw/zinc/01/94/08/1004019408.db2.gz AJJCLWWGMWYFOE-AWEZNQCLSA-N 1 2 365.275 2.604 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)c(C)o1)C2 ZINC001110443969 1004061922 /nfs/dbraw/zinc/06/19/22/1004061922.db2.gz RQFBVUZFJPQRKD-KURKYZTESA-N 1 2 373.497 2.656 20 30 FFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)c(C)o1)C2 ZINC001110443969 1004061931 /nfs/dbraw/zinc/06/19/31/1004061931.db2.gz RQFBVUZFJPQRKD-KURKYZTESA-N 1 2 373.497 2.656 20 30 FFEDLO N#Cc1ccc(N2CC[C@H](C(=O)OCc3cccc4[nH+]ccn43)C2)c(F)c1 ZINC000805899085 1004172848 /nfs/dbraw/zinc/17/28/48/1004172848.db2.gz HYRFRIMMBIMGMW-HNNXBMFYSA-N 1 2 364.380 2.915 20 30 FFEDLO CCCCCCCC(=O)c1ccc(O)c(C(=O)n2cc(C[NH3+])cnc2=N)c1 ZINC001197366109 1004198786 /nfs/dbraw/zinc/19/87/86/1004198786.db2.gz URNPIWZFOHQSLR-UHFFFAOYSA-N 1 2 370.453 2.759 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)co1 ZINC001096995015 1016855930 /nfs/dbraw/zinc/85/59/30/1016855930.db2.gz PYJOSNGIAJPCLP-LMMKCTJWSA-N 1 2 353.397 2.509 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)co1 ZINC001096995015 1016855949 /nfs/dbraw/zinc/85/59/49/1016855949.db2.gz PYJOSNGIAJPCLP-LMMKCTJWSA-N 1 2 353.397 2.509 20 30 FFEDLO CCCC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001192639845 1004229405 /nfs/dbraw/zinc/22/94/05/1004229405.db2.gz KJCLQKCYVCNQFP-KFKAGJAMSA-N 1 2 362.901 2.679 20 30 FFEDLO CCCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001192639845 1004229411 /nfs/dbraw/zinc/22/94/11/1004229411.db2.gz KJCLQKCYVCNQFP-KFKAGJAMSA-N 1 2 362.901 2.679 20 30 FFEDLO C=CCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ncc(C(C)C)o2)C1 ZINC001130537730 1004249516 /nfs/dbraw/zinc/24/95/16/1004249516.db2.gz DLZRNWHDXBTOPX-DOTOQJQBSA-N 1 2 371.485 2.582 20 30 FFEDLO C[C@@H](CCC(C)(C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001197811887 1004354897 /nfs/dbraw/zinc/35/48/97/1004354897.db2.gz AUUFXQFOVXFWHK-IAOVAPTHSA-N 1 2 363.527 2.743 20 30 FFEDLO C[C@@H](CCC(C)(C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001197811887 1004354904 /nfs/dbraw/zinc/35/49/04/1004354904.db2.gz AUUFXQFOVXFWHK-IAOVAPTHSA-N 1 2 363.527 2.743 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(CC)c1ccccc1 ZINC001110497014 1004416816 /nfs/dbraw/zinc/41/68/16/1004416816.db2.gz LDGVREPFLPODOS-AQNXPRMDSA-N 1 2 367.493 2.565 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(CC)c1ccccc1 ZINC001110497014 1004416822 /nfs/dbraw/zinc/41/68/22/1004416822.db2.gz LDGVREPFLPODOS-AQNXPRMDSA-N 1 2 367.493 2.565 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1F ZINC001110501016 1004471077 /nfs/dbraw/zinc/47/10/77/1004471077.db2.gz UYIJYIRTGYLWCZ-VYCZESIESA-N 1 2 350.409 2.513 20 30 FFEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1F ZINC001110501016 1004471084 /nfs/dbraw/zinc/47/10/84/1004471084.db2.gz UYIJYIRTGYLWCZ-VYCZESIESA-N 1 2 350.409 2.513 20 30 FFEDLO COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC001193680592 1004548222 /nfs/dbraw/zinc/54/82/22/1004548222.db2.gz VHXCEHFMZSPVMH-UHFFFAOYSA-N 1 2 368.418 2.862 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000807746967 1004676159 /nfs/dbraw/zinc/67/61/59/1004676159.db2.gz RFTZPONYMZGDHP-OXJNMPFZSA-N 1 2 365.518 2.742 20 30 FFEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cn1c2cc(F)ccc2oc1=O ZINC000808236210 1004785014 /nfs/dbraw/zinc/78/50/14/1004785014.db2.gz XVSLAGGGYYSTHZ-UHFFFAOYSA-N 1 2 355.369 2.711 20 30 FFEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cn1c2cc(F)ccc2oc1=O ZINC000808236210 1004785018 /nfs/dbraw/zinc/78/50/18/1004785018.db2.gz XVSLAGGGYYSTHZ-UHFFFAOYSA-N 1 2 355.369 2.711 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(Cl)c2)C[C@H]1O ZINC001195255405 1004924506 /nfs/dbraw/zinc/92/45/06/1004924506.db2.gz SLEYGZZMCMQOAA-HZPDHXFCSA-N 1 2 366.889 2.612 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(Cl)c2)C[C@H]1O ZINC001195255405 1004924510 /nfs/dbraw/zinc/92/45/10/1004924510.db2.gz SLEYGZZMCMQOAA-HZPDHXFCSA-N 1 2 366.889 2.612 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCc2cc(Cl)ccc2Cl)C[C@H]1O ZINC001195312977 1004939753 /nfs/dbraw/zinc/93/97/53/1004939753.db2.gz ZKCJEGANOIPEBF-HZPDHXFCSA-N 1 2 371.308 2.909 20 30 FFEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCc2cc(Cl)ccc2Cl)C[C@H]1O ZINC001195312977 1004939762 /nfs/dbraw/zinc/93/97/62/1004939762.db2.gz ZKCJEGANOIPEBF-HZPDHXFCSA-N 1 2 371.308 2.909 20 30 FFEDLO C[NH+](C)[C@@H](CNC(=O)c1cnc(C#N)cn1)c1ccc(Cl)cc1Cl ZINC001199669006 1005002554 /nfs/dbraw/zinc/00/25/54/1005002554.db2.gz GPSGWCQUSOKFEH-HNNXBMFYSA-N 1 2 364.236 2.688 20 30 FFEDLO CCOc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)(C)C)C3)n1 ZINC001110543149 1005042130 /nfs/dbraw/zinc/04/21/30/1005042130.db2.gz IKWTUNXAMZVEJF-KURKYZTESA-N 1 2 355.482 2.751 20 30 FFEDLO CCOc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)(C)C)C3)n1 ZINC001110543149 1005042134 /nfs/dbraw/zinc/04/21/34/1005042134.db2.gz IKWTUNXAMZVEJF-KURKYZTESA-N 1 2 355.482 2.751 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCCCCCC1 ZINC001110543935 1005051785 /nfs/dbraw/zinc/05/17/85/1005051785.db2.gz OHSMBDVFORCNFW-QRVBRYPASA-N 1 2 373.541 2.550 20 30 FFEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCCCCCC1 ZINC001110543935 1005051789 /nfs/dbraw/zinc/05/17/89/1005051789.db2.gz OHSMBDVFORCNFW-QRVBRYPASA-N 1 2 373.541 2.550 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1Cl ZINC001110546023 1005071235 /nfs/dbraw/zinc/07/12/35/1005071235.db2.gz JGRCFYGXUGAHMB-XFHKCVFHSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1Cl ZINC001110546023 1005071245 /nfs/dbraw/zinc/07/12/45/1005071245.db2.gz JGRCFYGXUGAHMB-XFHKCVFHSA-N 1 2 364.848 2.739 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1sccc1Cl ZINC001110546055 1005071383 /nfs/dbraw/zinc/07/13/83/1005071383.db2.gz KMKKJXGSEFDDEY-MXYBEHONSA-N 1 2 352.887 2.661 20 30 FFEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1sccc1Cl ZINC001110546055 1005071390 /nfs/dbraw/zinc/07/13/90/1005071390.db2.gz KMKKJXGSEFDDEY-MXYBEHONSA-N 1 2 352.887 2.661 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@H]1O ZINC001195924636 1005074813 /nfs/dbraw/zinc/07/48/13/1005074813.db2.gz XOCMAIMRHTZPMZ-ZHALLVOQSA-N 1 2 368.880 2.785 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)C[C@H]1O ZINC001195924636 1005074816 /nfs/dbraw/zinc/07/48/16/1005074816.db2.gz XOCMAIMRHTZPMZ-ZHALLVOQSA-N 1 2 368.880 2.785 20 30 FFEDLO Cn1c[nH+]c(CCNC(=S)Nc2ccc(C#N)cc2Br)c1 ZINC001201130980 1005177136 /nfs/dbraw/zinc/17/71/36/1005177136.db2.gz QJDDSHLWBRRQSK-UHFFFAOYSA-N 1 2 364.272 2.583 20 30 FFEDLO CCCCCCC[N@@H+]1CC(=O)NC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001201761996 1005262251 /nfs/dbraw/zinc/26/22/51/1005262251.db2.gz YWEVFOPEZRKMSD-IBGZPJMESA-N 1 2 353.507 2.768 20 30 FFEDLO CCCCCCC[N@H+]1CC(=O)NC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001201761996 1005262255 /nfs/dbraw/zinc/26/22/55/1005262255.db2.gz YWEVFOPEZRKMSD-IBGZPJMESA-N 1 2 353.507 2.768 20 30 FFEDLO CC(C)c1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095672395 1016960345 /nfs/dbraw/zinc/96/03/45/1016960345.db2.gz MVFHDICLWSNBLU-NEWSRXKRSA-N 1 2 363.465 2.940 20 30 FFEDLO CC(C)c1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095672395 1016960351 /nfs/dbraw/zinc/96/03/51/1016960351.db2.gz MVFHDICLWSNBLU-NEWSRXKRSA-N 1 2 363.465 2.940 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C(F)C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001489116241 1005412781 /nfs/dbraw/zinc/41/27/81/1005412781.db2.gz MNTIGMRGNJFEKO-YNEHKIRRSA-N 1 2 363.380 2.989 20 30 FFEDLO CC[C@@H]1[C@@H](NC(=O)C(F)C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001489116241 1005412782 /nfs/dbraw/zinc/41/27/82/1005412782.db2.gz MNTIGMRGNJFEKO-YNEHKIRRSA-N 1 2 363.380 2.989 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3nnc(CC)[nH]3)CC[C@@H]2C1 ZINC001489199870 1005429674 /nfs/dbraw/zinc/42/96/74/1005429674.db2.gz GEEFAGQDNNILQF-KURKYZTESA-N 1 2 371.529 2.792 20 30 FFEDLO C#CCCCCCC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3nnc(CC)[nH]3)CC[C@@H]2C1 ZINC001489199870 1005429676 /nfs/dbraw/zinc/42/96/76/1005429676.db2.gz GEEFAGQDNNILQF-KURKYZTESA-N 1 2 371.529 2.792 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)c1ccco1 ZINC001110603703 1005511346 /nfs/dbraw/zinc/51/13/46/1005511346.db2.gz PFYWDAHZUMATJQ-VQHPVUNQSA-N 1 2 373.497 2.781 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)c1ccco1 ZINC001110603703 1005511349 /nfs/dbraw/zinc/51/13/49/1005511349.db2.gz PFYWDAHZUMATJQ-VQHPVUNQSA-N 1 2 373.497 2.781 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001489952732 1005599762 /nfs/dbraw/zinc/59/97/62/1005599762.db2.gz UIRWMTVSZNXBDN-WBVHZDCISA-N 1 2 360.502 2.688 20 30 FFEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001489952732 1005599765 /nfs/dbraw/zinc/59/97/65/1005599765.db2.gz UIRWMTVSZNXBDN-WBVHZDCISA-N 1 2 360.502 2.688 20 30 FFEDLO C#CCN(C(=O)[C@@H]1C[C@H]1CC)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001110629490 1005870908 /nfs/dbraw/zinc/87/09/08/1005870908.db2.gz AZIQPVHBAPUXPJ-IEBWSBKVSA-N 1 2 354.498 2.879 20 30 FFEDLO CC(C)(C)OC(=O)N1CC(C[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)C1 ZINC000852331957 1005982294 /nfs/dbraw/zinc/98/22/94/1005982294.db2.gz NFSPOFRDUNUMTH-HXUWFJFHSA-N 1 2 356.470 2.806 20 30 FFEDLO CC(C)(C)OC(=O)N1CC(C[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)C1 ZINC000852331957 1005982302 /nfs/dbraw/zinc/98/23/02/1005982302.db2.gz NFSPOFRDUNUMTH-HXUWFJFHSA-N 1 2 356.470 2.806 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001057429575 1017031650 /nfs/dbraw/zinc/03/16/50/1017031650.db2.gz YQYJHGBKIJXRSE-MJGOQNOKSA-N 1 2 370.497 2.658 20 30 FFEDLO C=CC1CC[NH+](CC2=C(C(=O)OCC)[C@H](c3ccccc3)NC(=O)N2)CC1 ZINC000111257631 1006373775 /nfs/dbraw/zinc/37/37/75/1006373775.db2.gz CYNOSUFIIJOGBS-IBGZPJMESA-N 1 2 369.465 2.756 20 30 FFEDLO C#CCCCOc1cccnc1NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000853541978 1006436423 /nfs/dbraw/zinc/43/64/23/1006436423.db2.gz YGUBORBCPSCZAX-UHFFFAOYSA-N 1 2 373.497 2.556 20 30 FFEDLO CO[C@@H](CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1)[C@@H]1CCOC1 ZINC000853658614 1006495827 /nfs/dbraw/zinc/49/58/27/1006495827.db2.gz NNFMFFFRVKNWIT-QUCCMNQESA-N 1 2 370.449 2.954 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Br)cc1 ZINC001110402159 1006719150 /nfs/dbraw/zinc/71/91/50/1006719150.db2.gz YOMHHZDPICLTNQ-SRMUXQRQSA-N 1 2 362.271 2.830 20 30 FFEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Br)cc1 ZINC001110402159 1006719159 /nfs/dbraw/zinc/71/91/59/1006719159.db2.gz YOMHHZDPICLTNQ-SRMUXQRQSA-N 1 2 362.271 2.830 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1nnc(C)s1 ZINC001273571622 1006799614 /nfs/dbraw/zinc/79/96/14/1006799614.db2.gz KZVIPBIPEAPRHD-BPUTZDHNSA-N 1 2 366.531 2.669 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCC[N@H+](C)[C@@H](C)c1nnc(C)s1 ZINC001273571622 1006799626 /nfs/dbraw/zinc/79/96/26/1006799626.db2.gz KZVIPBIPEAPRHD-BPUTZDHNSA-N 1 2 366.531 2.669 20 30 FFEDLO COc1ccc(C#N)c(C(=O)N2CCC3(CCn4c(C)c[nH+]c43)CC2)c1 ZINC001189075808 1006895238 /nfs/dbraw/zinc/89/52/38/1006895238.db2.gz JQNJGUUEDDQHPG-UHFFFAOYSA-N 1 2 350.422 2.650 20 30 FFEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCn1cc[nH+]c1 ZINC001135580905 1007059593 /nfs/dbraw/zinc/05/95/93/1007059593.db2.gz IWCPZBWAMBLBHX-HNNXBMFYSA-N 1 2 350.463 2.639 20 30 FFEDLO CC(C)OC[C@H](O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000133615532 1007213414 /nfs/dbraw/zinc/21/34/14/1007213414.db2.gz IVQFGYCHFUHHNK-SFHVURJKSA-N 1 2 358.438 2.688 20 30 FFEDLO C#C[C@H](NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2)[C@@H]1CCCO1 ZINC000775340631 1007402038 /nfs/dbraw/zinc/40/20/38/1007402038.db2.gz LTFXZTUZHQZHFD-PXNSSMCTSA-N 1 2 363.461 2.523 20 30 FFEDLO C#C[C@H](NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2)[C@@H]1CCCO1 ZINC000775340631 1007402042 /nfs/dbraw/zinc/40/20/42/1007402042.db2.gz LTFXZTUZHQZHFD-PXNSSMCTSA-N 1 2 363.461 2.523 20 30 FFEDLO COC(=O)c1scc(C#N)c1NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190074581 1007457699 /nfs/dbraw/zinc/45/76/99/1007457699.db2.gz FUBGGKMDYWQBBQ-UHFFFAOYSA-N 1 2 352.375 2.844 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001190441555 1007640519 /nfs/dbraw/zinc/64/05/19/1007640519.db2.gz WBZKKGVJQJQZMZ-HLLBOEOZSA-N 1 2 361.486 2.596 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001190441555 1007640528 /nfs/dbraw/zinc/64/05/28/1007640528.db2.gz WBZKKGVJQJQZMZ-HLLBOEOZSA-N 1 2 361.486 2.596 20 30 FFEDLO CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)c2cccc(C#N)c2F)c1 ZINC001190555443 1007695229 /nfs/dbraw/zinc/69/52/29/1007695229.db2.gz XAERHUWOTOJXSJ-UHFFFAOYSA-N 1 2 368.368 2.723 20 30 FFEDLO CCCC[C@H](CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001191239149 1007946353 /nfs/dbraw/zinc/94/63/53/1007946353.db2.gz XYUFLSUMUIGGDV-KFKAGJAMSA-N 1 2 361.461 2.575 20 30 FFEDLO CCCC[C@H](CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001191239149 1007946358 /nfs/dbraw/zinc/94/63/58/1007946358.db2.gz XYUFLSUMUIGGDV-KFKAGJAMSA-N 1 2 361.461 2.575 20 30 FFEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)CCCCC1 ZINC000858045373 1008288255 /nfs/dbraw/zinc/28/82/55/1008288255.db2.gz RLDHUKKISNVWSO-SFHVURJKSA-N 1 2 368.481 2.755 20 30 FFEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)CCCCC1 ZINC000858045373 1008288259 /nfs/dbraw/zinc/28/82/59/1008288259.db2.gz RLDHUKKISNVWSO-SFHVURJKSA-N 1 2 368.481 2.755 20 30 FFEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858050611 1008289755 /nfs/dbraw/zinc/28/97/55/1008289755.db2.gz RPLQQHROOCZEKS-IBGZPJMESA-N 1 2 362.433 2.922 20 30 FFEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858050611 1008289758 /nfs/dbraw/zinc/28/97/58/1008289758.db2.gz RPLQQHROOCZEKS-IBGZPJMESA-N 1 2 362.433 2.922 20 30 FFEDLO Cc1[nH]c(C2CCN([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)[nH+]c1C ZINC000886670117 1008807295 /nfs/dbraw/zinc/80/72/95/1008807295.db2.gz JRHOZPLYKRCZCB-INIZCTEOSA-N 1 2 357.502 2.937 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2csc(CCC(C)C)n2)C[C@H]1C ZINC001206585730 1032351429 /nfs/dbraw/zinc/35/14/29/1032351429.db2.gz CQFRWTHNUQUDSC-NVXWUHKLSA-N 1 2 365.543 2.871 20 30 FFEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2csc(CCC(C)C)n2)C[C@H]1C ZINC001206585730 1032351434 /nfs/dbraw/zinc/35/14/34/1032351434.db2.gz CQFRWTHNUQUDSC-NVXWUHKLSA-N 1 2 365.543 2.871 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CCCC)cc1)C2 ZINC001110784216 1008967350 /nfs/dbraw/zinc/96/73/50/1008967350.db2.gz CGEYEKIFANJTMP-AQNXPRMDSA-N 1 2 369.509 2.667 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CCCC)cc1)C2 ZINC001110784216 1008967360 /nfs/dbraw/zinc/96/73/60/1008967360.db2.gz CGEYEKIFANJTMP-AQNXPRMDSA-N 1 2 369.509 2.667 20 30 FFEDLO Cc1ccc(-c2nc(C[N@@H+]3C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C3)cs2)o1 ZINC001206662342 1032377029 /nfs/dbraw/zinc/37/70/29/1032377029.db2.gz HJIDWPCJJYUAGN-YWPYICTPSA-N 1 2 358.467 2.808 20 30 FFEDLO Cc1ccc(-c2nc(C[N@H+]3C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C3)cs2)o1 ZINC001206662342 1032377036 /nfs/dbraw/zinc/37/70/36/1032377036.db2.gz HJIDWPCJJYUAGN-YWPYICTPSA-N 1 2 358.467 2.808 20 30 FFEDLO N#Cc1ccc(C[NH2+]Cc2ccc(F)cc2I)nc1 ZINC001178855525 1009154493 /nfs/dbraw/zinc/15/44/93/1009154493.db2.gz KZBLGIKMXMGCMK-UHFFFAOYSA-N 1 2 367.165 2.987 20 30 FFEDLO N#Cc1c(F)ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1F ZINC001178990908 1009219378 /nfs/dbraw/zinc/21/93/78/1009219378.db2.gz GTADOLICTJIJKK-KRWDZBQOSA-N 1 2 357.360 2.676 20 30 FFEDLO N#Cc1c(F)ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1F ZINC001178990908 1009219385 /nfs/dbraw/zinc/21/93/85/1009219385.db2.gz GTADOLICTJIJKK-KRWDZBQOSA-N 1 2 357.360 2.676 20 30 FFEDLO O=C([C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)N1CCC2(CC1)CC(=O)C=CO2 ZINC001179422964 1009337872 /nfs/dbraw/zinc/33/78/72/1009337872.db2.gz MHZGXZNLAXXMAA-CALCHBBNSA-N 1 2 369.465 2.917 20 30 FFEDLO C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1C#N)n1cc[nH+]c1 ZINC001092921518 1009339816 /nfs/dbraw/zinc/33/98/16/1009339816.db2.gz XNPPQFPYOXXAHL-CSHUHZATSA-N 1 2 367.428 2.771 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001092894857 1009359293 /nfs/dbraw/zinc/35/92/93/1009359293.db2.gz XOLQLTJWPWUCDS-OEMYIYORSA-N 1 2 372.513 2.802 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C2CC2)n1 ZINC001092947689 1009415025 /nfs/dbraw/zinc/41/50/25/1009415025.db2.gz IZWQEWVFZAFIPE-HPBDAGMYSA-N 1 2 370.497 2.870 20 30 FFEDLO COCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2cccc(Cl)c2)CC1 ZINC001110807367 1009551212 /nfs/dbraw/zinc/55/12/12/1009551212.db2.gz OFZHXSJMXJFIDW-QRVBRYPASA-N 1 2 372.896 2.840 20 30 FFEDLO COCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2cccc(Cl)c2)CC1 ZINC001110807367 1009551221 /nfs/dbraw/zinc/55/12/21/1009551221.db2.gz OFZHXSJMXJFIDW-QRVBRYPASA-N 1 2 372.896 2.840 20 30 FFEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1)OCC ZINC001093019214 1009620750 /nfs/dbraw/zinc/62/07/50/1009620750.db2.gz ZBQWTGSYNFYDDB-AKHDSKFASA-N 1 2 372.513 2.945 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001206782536 1032423263 /nfs/dbraw/zinc/42/32/63/1032423263.db2.gz RFETZQFCOATYCN-HZPDHXFCSA-N 1 2 363.502 2.891 20 30 FFEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+](Cc2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001206782536 1032423271 /nfs/dbraw/zinc/42/32/71/1032423271.db2.gz RFETZQFCOATYCN-HZPDHXFCSA-N 1 2 363.502 2.891 20 30 FFEDLO N#Cc1ccccc1N1CCC(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC001180506956 1009728914 /nfs/dbraw/zinc/72/89/14/1009728914.db2.gz JMTWJMFFFYKBMK-GOSISDBHSA-N 1 2 363.465 2.904 20 30 FFEDLO C=C(C)[C@H](CC(=O)N[C@]12CCC[C@H]1CN(c1cc[nH+]c(C)n1)C2)OCC ZINC001093097450 1009820199 /nfs/dbraw/zinc/82/01/99/1009820199.db2.gz IASRWJANIUMQJY-ZWOKBUDYSA-N 1 2 358.486 2.631 20 30 FFEDLO N#Cc1ccc(N2CC[NH+](Cc3cnn(-c4ccc(F)cc4)c3)CC2)cn1 ZINC000862421118 1009833202 /nfs/dbraw/zinc/83/32/02/1009833202.db2.gz IFQBMTHPVLOXLV-UHFFFAOYSA-N 1 2 362.412 2.600 20 30 FFEDLO N#Cc1cc(CC(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)ccc1F ZINC001181182620 1010007247 /nfs/dbraw/zinc/00/72/47/1010007247.db2.gz OAYHVMCGKUKLBZ-MRXNPFEDSA-N 1 2 351.372 2.572 20 30 FFEDLO Cc1cc(NCCNC(=O)Cc2ccccc2CC#N)nc(C(C)C)[nH+]1 ZINC000862860833 1010020088 /nfs/dbraw/zinc/02/00/88/1010020088.db2.gz QWBWXRKWNTYUEH-UHFFFAOYSA-N 1 2 351.454 2.745 20 30 FFEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2[nH]nc3c2CCCCC3)[C@H](C)C1 ZINC001093198318 1010118352 /nfs/dbraw/zinc/11/83/52/1010118352.db2.gz LHFXEHFQDUGGEJ-TZMCWYRMSA-N 1 2 350.894 2.729 20 30 FFEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2[nH]nc3c2CCCCC3)[C@H](C)C1 ZINC001093198318 1010118364 /nfs/dbraw/zinc/11/83/64/1010118364.db2.gz LHFXEHFQDUGGEJ-TZMCWYRMSA-N 1 2 350.894 2.729 20 30 FFEDLO N#Cc1c(F)cccc1C[N@@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000794553724 1010301992 /nfs/dbraw/zinc/30/19/92/1010301992.db2.gz NYCOKOQHWVOFFG-HOTGVXAUSA-N 1 2 361.417 2.567 20 30 FFEDLO N#Cc1c(F)cccc1C[N@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000794553724 1010302006 /nfs/dbraw/zinc/30/20/06/1010302006.db2.gz NYCOKOQHWVOFFG-HOTGVXAUSA-N 1 2 361.417 2.567 20 30 FFEDLO CN(C)C(=O)COc1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cc1 ZINC000794696301 1010513092 /nfs/dbraw/zinc/51/30/92/1010513092.db2.gz UBAJNRRKIFDRTE-KTKRTIGZSA-N 1 2 373.478 2.568 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)c(OC)c(F)c2)C[C@H]1C ZINC001206913177 1032493876 /nfs/dbraw/zinc/49/38/76/1032493876.db2.gz AABQZTXGWANXJM-CXAGYDPISA-N 1 2 350.409 2.713 20 30 FFEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)c(OC)c(F)c2)C[C@H]1C ZINC001206913177 1032493877 /nfs/dbraw/zinc/49/38/77/1032493877.db2.gz AABQZTXGWANXJM-CXAGYDPISA-N 1 2 350.409 2.713 20 30 FFEDLO C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1cccc(C#N)c1O ZINC000866242174 1010960170 /nfs/dbraw/zinc/96/01/70/1010960170.db2.gz LLAIXFPWXVBCHH-OAHLLOKOSA-N 1 2 365.433 2.587 20 30 FFEDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000796172486 1011249853 /nfs/dbraw/zinc/24/98/53/1011249853.db2.gz RNMPKSIQTOWJCJ-SFHVURJKSA-N 1 2 372.469 2.534 20 30 FFEDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000796172486 1011249864 /nfs/dbraw/zinc/24/98/64/1011249864.db2.gz RNMPKSIQTOWJCJ-SFHVURJKSA-N 1 2 372.469 2.534 20 30 FFEDLO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001172315069 1011742240 /nfs/dbraw/zinc/74/22/40/1011742240.db2.gz NHKGLBICJUULLJ-LZQZEXGQSA-N 1 2 371.481 2.809 20 30 FFEDLO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001172315069 1011742252 /nfs/dbraw/zinc/74/22/52/1011742252.db2.gz NHKGLBICJUULLJ-LZQZEXGQSA-N 1 2 371.481 2.809 20 30 FFEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(F)cc1C#N ZINC001275037580 1011844511 /nfs/dbraw/zinc/84/45/11/1011844511.db2.gz DAPPQLMBOAZWPZ-FQEVSTJZSA-N 1 2 354.429 2.958 20 30 FFEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(F)cc1C#N ZINC001275037580 1011844516 /nfs/dbraw/zinc/84/45/16/1011844516.db2.gz DAPPQLMBOAZWPZ-FQEVSTJZSA-N 1 2 354.429 2.958 20 30 FFEDLO Cc1ccc(-n2ncc(C#N)c2Nc2ccc(C[NH+]3CC(O)C3)cc2)cc1 ZINC001212665471 1011850778 /nfs/dbraw/zinc/85/07/78/1011850778.db2.gz QEBZMUWKYXSNLS-UHFFFAOYSA-N 1 2 359.433 2.973 20 30 FFEDLO COc1cc2c(cn1)CC[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172994331 1012196904 /nfs/dbraw/zinc/19/69/04/1012196904.db2.gz SQOQQHLHGSLDLF-IRXDYDNUSA-N 1 2 372.469 2.740 20 30 FFEDLO COc1cc2c(cn1)CC[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172994331 1012196920 /nfs/dbraw/zinc/19/69/20/1012196920.db2.gz SQOQQHLHGSLDLF-IRXDYDNUSA-N 1 2 372.469 2.740 20 30 FFEDLO C=CCOC(=O)CC[C@H]([NH2+]C1CCC(OCCC)CC1)C(=O)OCC=C ZINC001173094434 1012230070 /nfs/dbraw/zinc/23/00/70/1012230070.db2.gz JXPIFMLXTRSWDQ-ABHNRTSZSA-N 1 2 367.486 2.921 20 30 FFEDLO C=CCCCCCC[N@H+]1C[C@]2(F)CN([C@@H](C)C(=O)OCC)C(=O)[C@]2(F)C1 ZINC001275328796 1012307566 /nfs/dbraw/zinc/30/75/66/1012307566.db2.gz CQRHEAZNESGPDH-ZYSHUDEJSA-N 1 2 372.456 2.649 20 30 FFEDLO C=CCCCCCC[N@@H+]1C[C@]2(F)CN([C@@H](C)C(=O)OCC)C(=O)[C@]2(F)C1 ZINC001275328796 1012307584 /nfs/dbraw/zinc/30/75/84/1012307584.db2.gz CQRHEAZNESGPDH-ZYSHUDEJSA-N 1 2 372.456 2.649 20 30 FFEDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@H]3SC(=O)C=C3C2)c1F ZINC001173187546 1012329726 /nfs/dbraw/zinc/32/97/26/1012329726.db2.gz XHWAGHYTLOPADE-ZUZCIYMTSA-N 1 2 366.414 2.948 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc([C@H](C)CC)cc1)C2 ZINC001110169478 1012469046 /nfs/dbraw/zinc/46/90/46/1012469046.db2.gz RARZAZBZTIYPLF-XCLNPWKQSA-N 1 2 369.509 2.837 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc([C@H](C)CC)cc1)C2 ZINC001110169478 1012469056 /nfs/dbraw/zinc/46/90/56/1012469056.db2.gz RARZAZBZTIYPLF-XCLNPWKQSA-N 1 2 369.509 2.837 20 30 FFEDLO Cc1ocnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001095221062 1012740098 /nfs/dbraw/zinc/74/00/98/1012740098.db2.gz MAWBCGBWXYBBLL-PVAVHDDUSA-N 1 2 354.385 2.529 20 30 FFEDLO Cc1ocnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001095221062 1012740113 /nfs/dbraw/zinc/74/01/13/1012740113.db2.gz MAWBCGBWXYBBLL-PVAVHDDUSA-N 1 2 354.385 2.529 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Br)c(F)c1 ZINC001275781334 1013000410 /nfs/dbraw/zinc/00/04/10/1013000410.db2.gz LLSMILUGDOMQBV-HZPDHXFCSA-N 1 2 365.246 2.787 20 30 FFEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Br)c(F)c1 ZINC001275781334 1013000424 /nfs/dbraw/zinc/00/04/24/1013000424.db2.gz LLSMILUGDOMQBV-HZPDHXFCSA-N 1 2 365.246 2.787 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)nc(C)n1 ZINC001098031498 1017135803 /nfs/dbraw/zinc/13/58/03/1017135803.db2.gz HHIQRBMHNLGANE-QBIMZIAESA-N 1 2 367.478 2.562 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)nc(C)n1 ZINC001098031498 1017135805 /nfs/dbraw/zinc/13/58/05/1017135805.db2.gz HHIQRBMHNLGANE-QBIMZIAESA-N 1 2 367.478 2.562 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001055227942 1017184740 /nfs/dbraw/zinc/18/47/40/1017184740.db2.gz OUMXQKDSAKRQHZ-GFEQUFNTSA-N 1 2 370.497 2.555 20 30 FFEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCN1c1cccc(F)c1C#N ZINC001050988949 1017193006 /nfs/dbraw/zinc/19/30/06/1017193006.db2.gz PIAKIIYQQCUXBB-IOASZLSFSA-N 1 2 367.428 2.624 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001097224059 1017217011 /nfs/dbraw/zinc/21/70/11/1017217011.db2.gz GAQLYPGULXHRNV-OAGGEKHMSA-N 1 2 356.495 2.974 20 30 FFEDLO C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001097224059 1017217022 /nfs/dbraw/zinc/21/70/22/1017217022.db2.gz GAQLYPGULXHRNV-OAGGEKHMSA-N 1 2 356.495 2.974 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1COCC[N@@H+]1CCCC1CCCC1 ZINC001051163655 1017246164 /nfs/dbraw/zinc/24/61/64/1017246164.db2.gz HGERHCMNSSMFTH-UFYCRDLUSA-N 1 2 364.530 2.755 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1COCC[N@H+]1CCCC1CCCC1 ZINC001051163655 1017246178 /nfs/dbraw/zinc/24/61/78/1017246178.db2.gz HGERHCMNSSMFTH-UFYCRDLUSA-N 1 2 364.530 2.755 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)nc3sccn31)C2 ZINC001097330767 1017359655 /nfs/dbraw/zinc/35/96/55/1017359655.db2.gz GZQMFIDDGDHMPY-UPJWGTAASA-N 1 2 350.875 2.792 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)nc3sccn31)C2 ZINC001097330767 1017359664 /nfs/dbraw/zinc/35/96/64/1017359664.db2.gz GZQMFIDDGDHMPY-UPJWGTAASA-N 1 2 350.875 2.792 20 30 FFEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000925590019 1017795773 /nfs/dbraw/zinc/79/57/73/1017795773.db2.gz MWKDTXMCRSRPCM-HSALFYBXSA-N 1 2 370.497 2.579 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(F)c3F)C[C@H]21 ZINC001222069655 1032733777 /nfs/dbraw/zinc/73/37/77/1032733777.db2.gz UZAKZBOMHXVMJL-CKEIUWERSA-N 1 2 350.409 2.589 20 30 FFEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(F)c3F)C[C@H]21 ZINC001222069655 1032733781 /nfs/dbraw/zinc/73/37/81/1032733781.db2.gz UZAKZBOMHXVMJL-CKEIUWERSA-N 1 2 350.409 2.589 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)c1n[nH]cc1F ZINC001097796506 1017941672 /nfs/dbraw/zinc/94/16/72/1017941672.db2.gz CYQTWIBPXLUWJS-OIISXLGYSA-N 1 2 372.831 2.589 20 30 FFEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)c1n[nH]cc1F ZINC001097796506 1017941681 /nfs/dbraw/zinc/94/16/81/1017941681.db2.gz CYQTWIBPXLUWJS-OIISXLGYSA-N 1 2 372.831 2.589 20 30 FFEDLO CC(C)n1cc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 ZINC000926113866 1017971325 /nfs/dbraw/zinc/97/13/25/1017971325.db2.gz BPDPYSVEDNGCEN-YOEHRIQHSA-N 1 2 352.442 2.577 20 30 FFEDLO CCC(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C#N)cn2)C1 ZINC001052745138 1018081681 /nfs/dbraw/zinc/08/16/81/1018081681.db2.gz JXDDBTYSCAKIKE-HZPDHXFCSA-N 1 2 366.469 2.529 20 30 FFEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1)O2 ZINC001053675226 1018411188 /nfs/dbraw/zinc/41/11/88/1018411188.db2.gz IYLWHQMKLBLFAS-SLFFLAALSA-N 1 2 354.494 2.943 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4c(C)nnn4CC)C[C@H]32)CCCC1 ZINC001222143259 1032784376 /nfs/dbraw/zinc/78/43/76/1032784376.db2.gz ZCHOFWVYFGDALK-IEBWSBKVSA-N 1 2 371.529 2.776 20 30 FFEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4c(C)nnn4CC)C[C@H]32)CCCC1 ZINC001222143259 1032784391 /nfs/dbraw/zinc/78/43/91/1032784391.db2.gz ZCHOFWVYFGDALK-IEBWSBKVSA-N 1 2 371.529 2.776 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001047033093 1018862479 /nfs/dbraw/zinc/86/24/79/1018862479.db2.gz ZXVJHCSPRPIDSY-DZUCGIPZSA-N 1 2 356.470 2.560 20 30 FFEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000928636598 1019048304 /nfs/dbraw/zinc/04/83/04/1019048304.db2.gz SATROWZKXUCSKI-LJQANCHMSA-N 1 2 355.482 2.597 20 30 FFEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC(C)(C)Cc2ccc(C#N)cc2)[nH]n1 ZINC000928697458 1019075198 /nfs/dbraw/zinc/07/51/98/1019075198.db2.gz NUSOSZDUAZUPTC-SFHVURJKSA-N 1 2 351.454 2.799 20 30 FFEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NC(C)(C)Cc2ccc(C#N)cc2)[nH]n1 ZINC000928697458 1019075212 /nfs/dbraw/zinc/07/52/12/1019075212.db2.gz NUSOSZDUAZUPTC-SFHVURJKSA-N 1 2 351.454 2.799 20 30 FFEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(c3cccc(F)c3C#N)C[C@H]2C)c[nH+]1 ZINC001042619064 1019083908 /nfs/dbraw/zinc/08/39/08/1019083908.db2.gz JXEOCMQXGPYNOH-CXAGYDPISA-N 1 2 369.444 2.579 20 30 FFEDLO CCN(C(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)nc2)CC1)C1CCCCC1 ZINC000801553079 1019106964 /nfs/dbraw/zinc/10/69/64/1019106964.db2.gz HVVXHXMGWVBVCG-KRWDZBQOSA-N 1 2 369.513 2.645 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047388341 1019196787 /nfs/dbraw/zinc/19/67/87/1019196787.db2.gz QUTBXOXXMMVJMT-WOZUAGRISA-N 1 2 368.521 2.614 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047388341 1019196795 /nfs/dbraw/zinc/19/67/95/1019196795.db2.gz QUTBXOXXMMVJMT-WOZUAGRISA-N 1 2 368.521 2.614 20 30 FFEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001098052269 1019211323 /nfs/dbraw/zinc/21/13/23/1019211323.db2.gz DPDZQKFYHWCZCK-NXHRZFHOSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001098052269 1019211334 /nfs/dbraw/zinc/21/13/34/1019211334.db2.gz DPDZQKFYHWCZCK-NXHRZFHOSA-N 1 2 367.428 2.573 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)ccn1 ZINC001098070220 1019307315 /nfs/dbraw/zinc/30/73/15/1019307315.db2.gz HVTQXHDENNAPNC-RLLQIKCJSA-N 1 2 364.424 2.936 20 30 FFEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)ccn1 ZINC001098070220 1019307331 /nfs/dbraw/zinc/30/73/31/1019307331.db2.gz HVTQXHDENNAPNC-RLLQIKCJSA-N 1 2 364.424 2.936 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNc2cccc(F)c2C#N)C1 ZINC001068588154 1019311350 /nfs/dbraw/zinc/31/13/50/1019311350.db2.gz ACBKEBLJKUTTCD-KBUPBQIOSA-N 1 2 367.428 2.541 20 30 FFEDLO CCn1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)c1C ZINC001098089890 1019414959 /nfs/dbraw/zinc/41/49/59/1019414959.db2.gz FOCMSGMYJNSQSH-NRSPTQNISA-N 1 2 362.477 2.598 20 30 FFEDLO CCn1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)c1C ZINC001098089890 1019414971 /nfs/dbraw/zinc/41/49/71/1019414971.db2.gz FOCMSGMYJNSQSH-NRSPTQNISA-N 1 2 362.477 2.598 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C(F)(F)F)c3)n2CC)CC1 ZINC000801909848 1019503934 /nfs/dbraw/zinc/50/39/34/1019503934.db2.gz QUSDXEGYPOELNW-UHFFFAOYSA-N 1 2 363.387 2.739 20 30 FFEDLO C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3cc[nH+]c(C)n3)C2)cc1 ZINC001043611349 1019537388 /nfs/dbraw/zinc/53/73/88/1019537388.db2.gz ZMWXAZCPDCKIHF-RDTXWAMCSA-N 1 2 352.438 2.922 20 30 FFEDLO CN(C(=O)[C@@H]1C[C@H]1c1ccco1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001043947294 1019612704 /nfs/dbraw/zinc/61/27/04/1019612704.db2.gz XWSCUDZOPGOVOC-RTBURBONSA-N 1 2 365.433 2.628 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001069833177 1019628651 /nfs/dbraw/zinc/62/86/51/1019628651.db2.gz BFGBLCNLMGJZDI-OALUTQOASA-N 1 2 370.497 2.636 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](Cc2ccc(OC)c(C)c2)C1 ZINC001044038331 1019641105 /nfs/dbraw/zinc/64/11/05/1019641105.db2.gz XENSPRGPRRMKIQ-ICSRJNTNSA-N 1 2 358.482 2.627 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(=O)c(OC)co2)CC1 ZINC001095969548 1019652495 /nfs/dbraw/zinc/65/24/95/1019652495.db2.gz ZLSYAMISELUECO-NJAFHUGGSA-N 1 2 372.465 2.616 20 30 FFEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(=O)c(OC)co2)CC1 ZINC001095969548 1019652504 /nfs/dbraw/zinc/65/25/04/1019652504.db2.gz ZLSYAMISELUECO-NJAFHUGGSA-N 1 2 372.465 2.616 20 30 FFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095972048 1019657387 /nfs/dbraw/zinc/65/73/87/1019657387.db2.gz APQKXWVIWXMVJE-SJORKVTESA-N 1 2 358.486 2.586 20 30 FFEDLO CCc1ncoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095986774 1019707047 /nfs/dbraw/zinc/70/70/47/1019707047.db2.gz ZTAWGPNLEQNTNI-NJAFHUGGSA-N 1 2 350.422 2.644 20 30 FFEDLO CCc1ncoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095986774 1019707065 /nfs/dbraw/zinc/70/70/65/1019707065.db2.gz ZTAWGPNLEQNTNI-NJAFHUGGSA-N 1 2 350.422 2.644 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1F)C2 ZINC001098100680 1019731986 /nfs/dbraw/zinc/73/19/86/1019731986.db2.gz BDAPBDIZNATWJZ-NXHRZFHOSA-N 1 2 350.397 2.628 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1F)C2 ZINC001098100680 1019732010 /nfs/dbraw/zinc/73/20/10/1019732010.db2.gz BDAPBDIZNATWJZ-NXHRZFHOSA-N 1 2 350.397 2.628 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-c3ncon3)c1)C2 ZINC001096002101 1019740676 /nfs/dbraw/zinc/74/06/76/1019740676.db2.gz LRKXJKZEQPHSSS-PMPSAXMXSA-N 1 2 358.829 2.824 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-c3ncon3)c1)C2 ZINC001096002101 1019740693 /nfs/dbraw/zinc/74/06/93/1019740693.db2.gz LRKXJKZEQPHSSS-PMPSAXMXSA-N 1 2 358.829 2.824 20 30 FFEDLO C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(Cl)cc2)CCOC1 ZINC001098110434 1019763088 /nfs/dbraw/zinc/76/30/88/1019763088.db2.gz RSISFKLYJPVYOY-BNDYYXHWSA-N 1 2 372.896 2.840 20 30 FFEDLO C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(Cl)cc2)CCOC1 ZINC001098110434 1019763106 /nfs/dbraw/zinc/76/31/06/1019763106.db2.gz RSISFKLYJPVYOY-BNDYYXHWSA-N 1 2 372.896 2.840 20 30 FFEDLO C[C@@H]1CCO[C@@H]1C(=O)NC1(C)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001045561539 1020028049 /nfs/dbraw/zinc/02/80/49/1020028049.db2.gz TXSRZTGEHHAEKK-KDOFPFPSSA-N 1 2 359.445 2.593 20 30 FFEDLO C#CC1(O)CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000930553699 1020078311 /nfs/dbraw/zinc/07/83/11/1020078311.db2.gz AZHSXGZCQIMTGF-UHFFFAOYSA-N 1 2 362.433 2.594 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110996590 1020163020 /nfs/dbraw/zinc/16/30/20/1020163020.db2.gz XLCMDZGPDCUHEZ-LMCOJAPRSA-N 1 2 373.472 2.980 20 30 FFEDLO CO[C@@H](CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110996590 1020163026 /nfs/dbraw/zinc/16/30/26/1020163026.db2.gz XLCMDZGPDCUHEZ-LMCOJAPRSA-N 1 2 373.472 2.980 20 30 FFEDLO Cc1cccc(Cl)c1C[N@H+]1C[C@H]2OCCN(C(=O)C#CC(C)C)[C@H]2C1 ZINC001217852846 1032888976 /nfs/dbraw/zinc/88/89/76/1032888976.db2.gz URDJWXLHGPCPGA-RBUKOAKNSA-N 1 2 360.885 2.719 20 30 FFEDLO Cc1cccc(Cl)c1C[N@@H+]1C[C@H]2OCCN(C(=O)C#CC(C)C)[C@H]2C1 ZINC001217852846 1032888989 /nfs/dbraw/zinc/88/89/89/1032888989.db2.gz URDJWXLHGPCPGA-RBUKOAKNSA-N 1 2 360.885 2.719 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(F)cc(F)c2)cn1 ZINC001096382857 1020305479 /nfs/dbraw/zinc/30/54/79/1020305479.db2.gz RJSZMJNIYXAZPY-AABGKKOBSA-N 1 2 367.399 2.876 20 30 FFEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(F)cc(F)c2)cn1 ZINC001096382857 1020305487 /nfs/dbraw/zinc/30/54/87/1020305487.db2.gz RJSZMJNIYXAZPY-AABGKKOBSA-N 1 2 367.399 2.876 20 30 FFEDLO C=CC1(CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000931773567 1020580989 /nfs/dbraw/zinc/58/09/89/1020580989.db2.gz PPPJPEWKTLBPPV-OAHLLOKOSA-N 1 2 374.485 2.929 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001046327854 1020590171 /nfs/dbraw/zinc/59/01/71/1020590171.db2.gz QRFHQOSLEUGCGR-WSTZPKSXSA-N 1 2 360.502 2.526 20 30 FFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001046327854 1020590180 /nfs/dbraw/zinc/59/01/80/1020590180.db2.gz QRFHQOSLEUGCGR-WSTZPKSXSA-N 1 2 360.502 2.526 20 30 FFEDLO CC#CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@]34C[C@H]3CCC4)cc2)CC1 ZINC001074112153 1020635545 /nfs/dbraw/zinc/63/55/45/1020635545.db2.gz NGHREJQLXUZFEP-FYYLOGMGSA-N 1 2 365.521 2.634 20 30 FFEDLO Cc1nc([C@H]2CC[N@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)no1 ZINC000931953089 1020645375 /nfs/dbraw/zinc/64/53/75/1020645375.db2.gz NMNWCKUWLDSYOX-AWEZNQCLSA-N 1 2 373.844 2.768 20 30 FFEDLO Cc1nc([C@H]2CC[N@@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)no1 ZINC000931953089 1020645383 /nfs/dbraw/zinc/64/53/83/1020645383.db2.gz NMNWCKUWLDSYOX-AWEZNQCLSA-N 1 2 373.844 2.768 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncnc1C1CC1)C2 ZINC001096458299 1020654521 /nfs/dbraw/zinc/65/45/21/1020654521.db2.gz GHFVWPDYOMGVAZ-HOJAQTOUSA-N 1 2 373.460 2.761 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncnc1C1CC1)C2 ZINC001096458299 1020654527 /nfs/dbraw/zinc/65/45/27/1020654527.db2.gz GHFVWPDYOMGVAZ-HOJAQTOUSA-N 1 2 373.460 2.761 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CCCOC2)C3)c1 ZINC001098423061 1020894903 /nfs/dbraw/zinc/89/49/03/1020894903.db2.gz LQODAVOXDKMGSB-QOJCHSLYSA-N 1 2 371.456 2.736 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CCCOC2)C3)c1 ZINC001098423061 1020894905 /nfs/dbraw/zinc/89/49/05/1020894905.db2.gz LQODAVOXDKMGSB-QOJCHSLYSA-N 1 2 371.456 2.736 20 30 FFEDLO Cn1cc[nH+]c1C[C@H](NC(=O)N[C@H](CC#N)C(F)(F)F)c1ccccc1 ZINC000932893899 1020920635 /nfs/dbraw/zinc/92/06/35/1020920635.db2.gz PIZMWFXCUVUCRI-UONOGXRCSA-N 1 2 365.359 2.848 20 30 FFEDLO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933625738 1021051651 /nfs/dbraw/zinc/05/16/51/1021051651.db2.gz RTQQYDGPDMHIGR-FPOVZHCZSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933625738 1021051656 /nfs/dbraw/zinc/05/16/56/1021051656.db2.gz RTQQYDGPDMHIGR-FPOVZHCZSA-N 1 2 352.434 2.680 20 30 FFEDLO N#Cc1cc(I)ccc1O[C@H]1CC[NH2+]CC1(F)F ZINC001218011109 1032950778 /nfs/dbraw/zinc/95/07/78/1032950778.db2.gz URBNRSZBHFVNIN-NSHDSACASA-N 1 2 364.133 2.539 20 30 FFEDLO C=CCn1cc2ccc(NC(=O)N3CC[C@H](c4[nH+]ccn4C)C3)cc2n1 ZINC000933683633 1021068692 /nfs/dbraw/zinc/06/86/92/1021068692.db2.gz KJJASSCFZGPEPX-HNNXBMFYSA-N 1 2 350.426 2.977 20 30 FFEDLO COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000933776738 1021088478 /nfs/dbraw/zinc/08/84/78/1021088478.db2.gz LQFKWDQNSZIYPV-CYBMUJFWSA-N 1 2 371.462 2.543 20 30 FFEDLO COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000933776738 1021088486 /nfs/dbraw/zinc/08/84/86/1021088486.db2.gz LQFKWDQNSZIYPV-CYBMUJFWSA-N 1 2 371.462 2.543 20 30 FFEDLO CCc1nc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC001098796998 1021154841 /nfs/dbraw/zinc/15/48/41/1021154841.db2.gz FCOCLIGPMHMJLN-DJJJIMSYSA-N 1 2 369.494 2.690 20 30 FFEDLO CCc1nc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC001098796998 1021154843 /nfs/dbraw/zinc/15/48/43/1021154843.db2.gz FCOCLIGPMHMJLN-DJJJIMSYSA-N 1 2 369.494 2.690 20 30 FFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2cccc(OCC#N)c2)C1 ZINC001116296367 1021157931 /nfs/dbraw/zinc/15/79/31/1021157931.db2.gz SJEUMSHIQNTQJR-OAHLLOKOSA-N 1 2 353.426 2.809 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nc(C)oc2C)C1 ZINC001099093157 1021769844 /nfs/dbraw/zinc/76/98/44/1021769844.db2.gz WXWGEGKQECVUBJ-BBRMVZONSA-N 1 2 368.275 2.784 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nc(C)oc2C)C1 ZINC001099093157 1021769851 /nfs/dbraw/zinc/76/98/51/1021769851.db2.gz WXWGEGKQECVUBJ-BBRMVZONSA-N 1 2 368.275 2.784 20 30 FFEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@]23CCC[C@H]2OCC3)c1 ZINC001017729320 1022290330 /nfs/dbraw/zinc/29/03/30/1022290330.db2.gz ZEAYMFBQPLYKEU-DYQZNNLLSA-N 1 2 365.477 2.693 20 30 FFEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@]23CCC[C@H]2OCC3)c1 ZINC001017729320 1022290334 /nfs/dbraw/zinc/29/03/34/1022290334.db2.gz ZEAYMFBQPLYKEU-DYQZNNLLSA-N 1 2 365.477 2.693 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(CC4CC4)no3)[C@H]2C1 ZINC001222556265 1033049358 /nfs/dbraw/zinc/04/93/58/1033049358.db2.gz AQVJYQVMFNPUAR-MSOLQXFVSA-N 1 2 370.497 2.639 20 30 FFEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(CC4CC4)no3)[C@H]2C1 ZINC001222556265 1033049365 /nfs/dbraw/zinc/04/93/65/1033049365.db2.gz AQVJYQVMFNPUAR-MSOLQXFVSA-N 1 2 370.497 2.639 20 30 FFEDLO CC(C)(C)OC(=O)NCC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000780310976 1022583118 /nfs/dbraw/zinc/58/31/18/1022583118.db2.gz ARALNGYVCKBFDZ-QGZVFWFLSA-N 1 2 362.449 2.533 20 30 FFEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cn3c(cccc3Cl)n1)CC2 ZINC001276778385 1033071830 /nfs/dbraw/zinc/07/18/30/1033071830.db2.gz DAHLLUJWVNRQBG-HNNXBMFYSA-N 1 2 358.873 2.892 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cnoc1C ZINC001039945128 1022796321 /nfs/dbraw/zinc/79/63/21/1022796321.db2.gz PANDVZVZMHJSJC-RDGPPVDQSA-N 1 2 359.470 2.530 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cnoc1C ZINC001039945128 1022796333 /nfs/dbraw/zinc/79/63/33/1022796333.db2.gz PANDVZVZMHJSJC-RDGPPVDQSA-N 1 2 359.470 2.530 20 30 FFEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000780318200 1022833385 /nfs/dbraw/zinc/83/33/85/1022833385.db2.gz FUILISZPJMRDFV-UXHICEINSA-N 1 2 357.404 2.881 20 30 FFEDLO CCC1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CCOC)CC1 ZINC001122344665 1023205751 /nfs/dbraw/zinc/20/57/51/1023205751.db2.gz LDUKXPIGGWTQSL-UHFFFAOYSA-N 1 2 374.533 2.644 20 30 FFEDLO CC[C@H]1CCCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CCOC ZINC001122433588 1023264488 /nfs/dbraw/zinc/26/44/88/1023264488.db2.gz QWVHWKTXRUMODG-SFHVURJKSA-N 1 2 374.533 2.786 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCc2ccc(O)cc2C1 ZINC001122529782 1023322256 /nfs/dbraw/zinc/32/22/56/1023322256.db2.gz NPXKUJWOXSVVPX-GOSISDBHSA-N 1 2 353.470 2.889 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCc2ccc(O)cc2C1 ZINC001122529782 1023322260 /nfs/dbraw/zinc/32/22/60/1023322260.db2.gz NPXKUJWOXSVVPX-GOSISDBHSA-N 1 2 353.470 2.889 20 30 FFEDLO C=C1CCC(CNC(=O)C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC001120408456 1023323849 /nfs/dbraw/zinc/32/38/49/1023323849.db2.gz NTUVYWNGSFKMPX-UHFFFAOYSA-N 1 2 372.513 2.765 20 30 FFEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C3CCC3)c1)C2 ZINC001111280333 1023350091 /nfs/dbraw/zinc/35/00/91/1023350091.db2.gz ULNKRWKJOUDZGU-AQNXPRMDSA-N 1 2 367.493 2.591 20 30 FFEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C3CCC3)c1)C2 ZINC001111280333 1023350096 /nfs/dbraw/zinc/35/00/96/1023350096.db2.gz ULNKRWKJOUDZGU-AQNXPRMDSA-N 1 2 367.493 2.591 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc([C@]3(C)C[C@H](O)C[N@@H+]3C)n2CC(C)C)C1 ZINC001122738782 1023440770 /nfs/dbraw/zinc/44/07/70/1023440770.db2.gz GGSAQQXXTDURNC-UWVAXJGDSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc([C@]3(C)C[C@H](O)C[N@H+]3C)n2CC(C)C)C1 ZINC001122738782 1023440776 /nfs/dbraw/zinc/44/07/76/1023440776.db2.gz GGSAQQXXTDURNC-UWVAXJGDSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCc1cc(C[N@@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC000754736932 1023510046 /nfs/dbraw/zinc/51/00/46/1023510046.db2.gz PDVIBXKSYIJUFP-QGZVFWFLSA-N 1 2 363.454 2.672 20 30 FFEDLO C=CCc1cc(C[N@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC000754736932 1023510050 /nfs/dbraw/zinc/51/00/50/1023510050.db2.gz PDVIBXKSYIJUFP-QGZVFWFLSA-N 1 2 363.454 2.672 20 30 FFEDLO C#CCN(C)c1nnc([C@@H](C)[N@H+](C)Cc2ccccc2)n1C[C@@H]1CCCO1 ZINC001122872817 1023526374 /nfs/dbraw/zinc/52/63/74/1023526374.db2.gz LTPHJCZTYREGGU-MJGOQNOKSA-N 1 2 367.497 2.720 20 30 FFEDLO C#CCN(C)c1nnc([C@@H](C)[N@@H+](C)Cc2ccccc2)n1C[C@@H]1CCCO1 ZINC001122872817 1023526382 /nfs/dbraw/zinc/52/63/82/1023526382.db2.gz LTPHJCZTYREGGU-MJGOQNOKSA-N 1 2 367.497 2.720 20 30 FFEDLO N#Cc1cc(F)c(C(F)(F)F)cc1N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC001120963856 1023547096 /nfs/dbraw/zinc/54/70/96/1023547096.db2.gz UEECLOPFBKRNLQ-UHFFFAOYSA-N 1 2 353.323 2.761 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc([C@H]2CCC[N@@H+]2C)n1C[C@@H]1CCOC1 ZINC001123114418 1023641632 /nfs/dbraw/zinc/64/16/32/1023641632.db2.gz VJOLVQBIHLDQES-ZWKOTPCHSA-N 1 2 374.533 2.847 20 30 FFEDLO CC(C)CCN(CCC#N)c1nnc([C@H]2CCC[N@H+]2C)n1C[C@@H]1CCOC1 ZINC001123114418 1023641638 /nfs/dbraw/zinc/64/16/38/1023641638.db2.gz VJOLVQBIHLDQES-ZWKOTPCHSA-N 1 2 374.533 2.847 20 30 FFEDLO CC(C)=C(C)CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218463610 1033168301 /nfs/dbraw/zinc/16/83/01/1033168301.db2.gz XCSYTUOCESNRFY-LEWJYISDSA-N 1 2 352.478 2.696 20 30 FFEDLO CC(C)=C(C)CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001218463610 1033168309 /nfs/dbraw/zinc/16/83/09/1033168309.db2.gz XCSYTUOCESNRFY-LEWJYISDSA-N 1 2 352.478 2.696 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@](OC)(C(F)(F)F)C1 ZINC001121613380 1023881358 /nfs/dbraw/zinc/88/13/58/1023881358.db2.gz XPBBPEAOXFBEFM-CZUORRHYSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@](OC)(C(F)(F)F)C1 ZINC001121613380 1023881366 /nfs/dbraw/zinc/88/13/66/1023881366.db2.gz XPBBPEAOXFBEFM-CZUORRHYSA-N 1 2 373.423 2.779 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+](Cc3ccccc3)CCO2)nnc1N(C)C1CC1 ZINC001121627695 1023890439 /nfs/dbraw/zinc/89/04/39/1023890439.db2.gz QIWQKHYEGBBZKQ-SFHVURJKSA-N 1 2 353.470 2.636 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nnc1N(C)C1CC1 ZINC001121627695 1023890447 /nfs/dbraw/zinc/89/04/47/1023890447.db2.gz QIWQKHYEGBBZKQ-SFHVURJKSA-N 1 2 353.470 2.636 20 30 FFEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 ZINC000758035411 1023909926 /nfs/dbraw/zinc/90/99/26/1023909926.db2.gz LPKNMDCXCKGVTD-UWWQBHOKSA-N 1 2 370.453 2.826 20 30 FFEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1 ZINC000078695671 1023926836 /nfs/dbraw/zinc/92/68/36/1023926836.db2.gz QIKFUMJOOIXYRA-UONOGXRCSA-N 1 2 353.422 2.698 20 30 FFEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC001121689283 1023928293 /nfs/dbraw/zinc/92/82/93/1023928293.db2.gz AZTGBUDFPIIMOZ-IXDOHACOSA-N 1 2 356.474 2.664 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2C2CCCCC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001121709037 1023938836 /nfs/dbraw/zinc/93/88/36/1023938836.db2.gz PTZVOMHDDCHPRS-UEXGIBASSA-N 1 2 373.545 2.925 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2C2CCCCC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001121709037 1023938839 /nfs/dbraw/zinc/93/88/39/1023938839.db2.gz PTZVOMHDDCHPRS-UEXGIBASSA-N 1 2 373.545 2.925 20 30 FFEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(C(C)C)o4)[C@H]3C2)CCC1 ZINC001222876980 1033185543 /nfs/dbraw/zinc/18/55/43/1033185543.db2.gz KOPHNNMOFQYFDZ-SJORKVTESA-N 1 2 370.497 2.809 20 30 FFEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc(C(C)C)o4)[C@H]3C2)CCC1 ZINC001222876980 1033185546 /nfs/dbraw/zinc/18/55/46/1033185546.db2.gz KOPHNNMOFQYFDZ-SJORKVTESA-N 1 2 370.497 2.809 20 30 FFEDLO Cc1nnc([C@@H](C)[N@@H+]2C[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@]3(C)C2)s1 ZINC001101232461 1024143704 /nfs/dbraw/zinc/14/37/04/1024143704.db2.gz VPELYBPWBOHXTM-MUKKUYKPSA-N 1 2 360.527 2.737 20 30 FFEDLO Cc1nnc([C@@H](C)[N@H+]2C[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@]3(C)C2)s1 ZINC001101232461 1024143711 /nfs/dbraw/zinc/14/37/11/1024143711.db2.gz VPELYBPWBOHXTM-MUKKUYKPSA-N 1 2 360.527 2.737 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3nc(CCC)no3)C[C@@]2(C)C1 ZINC001101252016 1024197176 /nfs/dbraw/zinc/19/71/76/1024197176.db2.gz WZIWMPGEXPHKCS-QRWLVFNGSA-N 1 2 360.502 2.905 20 30 FFEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@H+](Cc3nc(CCC)no3)C[C@@]2(C)C1 ZINC001101252016 1024197183 /nfs/dbraw/zinc/19/71/83/1024197183.db2.gz WZIWMPGEXPHKCS-QRWLVFNGSA-N 1 2 360.502 2.905 20 30 FFEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC(=O)Nc3ccccc31)C2 ZINC001095840452 1024303499 /nfs/dbraw/zinc/30/34/99/1024303499.db2.gz ZECMKVUTSRTLON-QCPWZWHMSA-N 1 2 359.857 2.586 20 30 FFEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC(=O)Nc3ccccc31)C2 ZINC001095840452 1024303518 /nfs/dbraw/zinc/30/35/18/1024303518.db2.gz ZECMKVUTSRTLON-QCPWZWHMSA-N 1 2 359.857 2.586 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3CCC)C[C@@]2(C)C1 ZINC001101336822 1024484704 /nfs/dbraw/zinc/48/47/04/1024484704.db2.gz QUOFUOWFPYWACL-HLIPFELVSA-N 1 2 359.518 2.571 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3CCC)C[C@@]2(C)C1 ZINC001101336822 1024484707 /nfs/dbraw/zinc/48/47/07/1024484707.db2.gz QUOFUOWFPYWACL-HLIPFELVSA-N 1 2 359.518 2.571 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001101337762 1024486222 /nfs/dbraw/zinc/48/62/22/1024486222.db2.gz KNABMIDRANPRKN-NBQZKYEYSA-N 1 2 357.502 2.565 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001101337762 1024486233 /nfs/dbraw/zinc/48/62/33/1024486233.db2.gz KNABMIDRANPRKN-NBQZKYEYSA-N 1 2 357.502 2.565 20 30 FFEDLO COc1ccc(C(N)=[NH+]OCc2nc(Cc3ccccc3C)no2)cc1 ZINC000080285394 1024531743 /nfs/dbraw/zinc/53/17/43/1024531743.db2.gz GTYSSOREXNBUJB-UHFFFAOYSA-N 1 2 352.394 2.815 20 30 FFEDLO C=CCCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3oc(CCC)nc3C)C[C@@H]21 ZINC001218566864 1033223988 /nfs/dbraw/zinc/22/39/88/1033223988.db2.gz XKNGKUXSHXLTLB-FUHWJXTLSA-N 1 2 361.486 2.703 20 30 FFEDLO C=CCCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3oc(CCC)nc3C)C[C@@H]21 ZINC001218566864 1033224004 /nfs/dbraw/zinc/22/40/04/1033224004.db2.gz XKNGKUXSHXLTLB-FUHWJXTLSA-N 1 2 361.486 2.703 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001101442458 1024754826 /nfs/dbraw/zinc/75/48/26/1024754826.db2.gz MMCNRYRTDRZVQW-XLIONFOSSA-N 1 2 361.534 2.846 20 30 FFEDLO CCCCCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001101442458 1024754839 /nfs/dbraw/zinc/75/48/39/1024754839.db2.gz MMCNRYRTDRZVQW-XLIONFOSSA-N 1 2 361.534 2.846 20 30 FFEDLO CC(=O)CCCC(=O)NC[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001101722390 1024958722 /nfs/dbraw/zinc/95/87/22/1024958722.db2.gz ZHLIHKDXIBQZQG-RDTXWAMCSA-N 1 2 359.445 2.641 20 30 FFEDLO CC(=O)CCCC(=O)NC[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001101722390 1024958733 /nfs/dbraw/zinc/95/87/33/1024958733.db2.gz ZHLIHKDXIBQZQG-RDTXWAMCSA-N 1 2 359.445 2.641 20 30 FFEDLO Cc1cc(NC(=O)CO[NH+]=C(N)Cc2ccccc2C)n(C(C)(C)C)n1 ZINC000085268537 1025180772 /nfs/dbraw/zinc/18/07/72/1025180772.db2.gz NKWURSSJQNPZCH-UHFFFAOYSA-N 1 2 357.458 2.725 20 30 FFEDLO COc1c(C)c[nH+]c(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1C ZINC000779887164 1025219288 /nfs/dbraw/zinc/21/92/88/1025219288.db2.gz FUJFXROTKQWIEM-LJQANCHMSA-N 1 2 361.442 2.585 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001101987669 1025248729 /nfs/dbraw/zinc/24/87/29/1025248729.db2.gz BYQAWVOUNNFFLO-DFBGVHRSSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001101987669 1025248741 /nfs/dbraw/zinc/24/87/41/1025248741.db2.gz BYQAWVOUNNFFLO-DFBGVHRSSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001101987669 1025248802 /nfs/dbraw/zinc/24/88/02/1025248802.db2.gz BYQAWVOUNNFFLO-DFBGVHRSSA-N 1 2 357.351 2.643 20 30 FFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001101987669 1025248812 /nfs/dbraw/zinc/24/88/12/1025248812.db2.gz BYQAWVOUNNFFLO-DFBGVHRSSA-N 1 2 357.351 2.643 20 30 FFEDLO C=CCC(CC=C)C(=O)NC[C@@H]1C[N@H+](Cc2nnc(C(C)C)[nH]2)C[C@H]1C ZINC001101997085 1025268734 /nfs/dbraw/zinc/26/87/34/1025268734.db2.gz XATFCKWNUPQRNV-NVXWUHKLSA-N 1 2 359.518 2.881 20 30 FFEDLO C=CCC(CC=C)C(=O)NC[C@@H]1C[N@@H+](Cc2nnc(C(C)C)[nH]2)C[C@H]1C ZINC001101997085 1025268744 /nfs/dbraw/zinc/26/87/44/1025268744.db2.gz XATFCKWNUPQRNV-NVXWUHKLSA-N 1 2 359.518 2.881 20 30 FFEDLO C#CCCCCCC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000779937510 1025305788 /nfs/dbraw/zinc/30/57/88/1025305788.db2.gz VJOQTYRCFFQSTM-UHFFFAOYSA-N 1 2 358.482 2.802 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](Cc2cccc(N(C)C)c2)C1 ZINC000953830542 1025361718 /nfs/dbraw/zinc/36/17/18/1025361718.db2.gz FAMFFVSQWDHRRO-SFTDATJTSA-N 1 2 371.525 2.767 20 30 FFEDLO CC(C)C#CC(=O)NCC[C@@H]1C[N@H+](Cc2nnc(C(F)F)s2)C[C@H]1C ZINC001102955716 1026830249 /nfs/dbraw/zinc/83/02/49/1026830249.db2.gz CFOWGCWDIQPHSP-CHWSQXEVSA-N 1 2 370.469 2.709 20 30 FFEDLO CC(C)C#CC(=O)NCC[C@@H]1C[N@@H+](Cc2nnc(C(F)F)s2)C[C@H]1C ZINC001102955716 1026830257 /nfs/dbraw/zinc/83/02/57/1026830257.db2.gz CFOWGCWDIQPHSP-CHWSQXEVSA-N 1 2 370.469 2.709 20 30 FFEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(OCc3ccccc3F)nc2)nn1 ZINC000641113341 1027115059 /nfs/dbraw/zinc/11/50/59/1027115059.db2.gz BEFFRAHOIXNEBB-UHFFFAOYSA-N 1 2 365.412 2.552 20 30 FFEDLO COc1ccc(N2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)cc1F ZINC000091923248 1027134691 /nfs/dbraw/zinc/13/46/91/1027134691.db2.gz MLSDTYNXQFEDRO-UHFFFAOYSA-N 1 2 365.412 2.676 20 30 FFEDLO CSc1nc(C[N@@H+]2CC[C@H]3C[C@H](c4nc(C)no4)O[C@@H]3C2)ccc1C#N ZINC001141934628 1027183746 /nfs/dbraw/zinc/18/37/46/1027183746.db2.gz RPGIVPYTCXNOHO-APHBMKBZSA-N 1 2 371.466 2.719 20 30 FFEDLO CSc1nc(C[N@H+]2CC[C@H]3C[C@H](c4nc(C)no4)O[C@@H]3C2)ccc1C#N ZINC001141934628 1027183755 /nfs/dbraw/zinc/18/37/55/1027183755.db2.gz RPGIVPYTCXNOHO-APHBMKBZSA-N 1 2 371.466 2.719 20 30 FFEDLO CC(C)O[C@H]1C[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1 ZINC000840702709 1027218441 /nfs/dbraw/zinc/21/84/41/1027218441.db2.gz FBDYWNSMIYXXHR-OKILXGFUSA-N 1 2 354.454 2.602 20 30 FFEDLO CC[C@@H](C)[C@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])OC ZINC000840703591 1027220253 /nfs/dbraw/zinc/22/02/53/1027220253.db2.gz YQHSBXPGTMITCP-DYVFJYSZSA-N 1 2 356.470 2.707 20 30 FFEDLO C=C1CC(C)(C(=O)NCC[C@@H]2C[N@@H+](Cc3noc(C4CC4)n3)C[C@H]2C)C1 ZINC001103418598 1027442440 /nfs/dbraw/zinc/44/24/40/1027442440.db2.gz QECTZOGBHABJHC-GDBMZVCRSA-N 1 2 358.486 2.878 20 30 FFEDLO C=C1CC(C)(C(=O)NCC[C@@H]2C[N@H+](Cc3noc(C4CC4)n3)C[C@H]2C)C1 ZINC001103418598 1027442444 /nfs/dbraw/zinc/44/24/44/1027442444.db2.gz QECTZOGBHABJHC-GDBMZVCRSA-N 1 2 358.486 2.878 20 30 FFEDLO Cc1nc(CN2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)oc1C ZINC000093055981 1027585832 /nfs/dbraw/zinc/58/58/32/1027585832.db2.gz UBHRMCNAEZAAEH-OAHLLOKOSA-N 1 2 354.454 2.900 20 30 FFEDLO Cc1nsc(NC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)c1C#N ZINC001103584592 1027728961 /nfs/dbraw/zinc/72/89/61/1027728961.db2.gz APRRCWUQHVPJHS-VFVRVIDISA-N 1 2 370.482 2.547 20 30 FFEDLO Cc1nsc(NC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)c1C#N ZINC001103584592 1027728980 /nfs/dbraw/zinc/72/89/80/1027728980.db2.gz APRRCWUQHVPJHS-VFVRVIDISA-N 1 2 370.482 2.547 20 30 FFEDLO COc1ccnc(NC2CC[NH+](CC(=O)c3ccccc3)CC2)c1C#N ZINC001161143690 1028033805 /nfs/dbraw/zinc/03/38/05/1028033805.db2.gz VMNYYAKROHGWTF-UHFFFAOYSA-N 1 2 350.422 2.721 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)CC)CCCC1 ZINC001111517447 1028720928 /nfs/dbraw/zinc/72/09/28/1028720928.db2.gz BQYKHJPCDOAGGW-MLHJIOFPSA-N 1 2 361.530 2.759 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)CC)CCCC1 ZINC001111517447 1028720940 /nfs/dbraw/zinc/72/09/40/1028720940.db2.gz BQYKHJPCDOAGGW-MLHJIOFPSA-N 1 2 361.530 2.759 20 30 FFEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNc3nnc(C)c(C)c3C#N)C2)c1 ZINC001163938858 1029123252 /nfs/dbraw/zinc/12/32/52/1029123252.db2.gz RGMYAXBDCVSAMU-SFHVURJKSA-N 1 2 351.454 2.586 20 30 FFEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNc3nnc(C)c(C)c3C#N)C2)c1 ZINC001163938858 1029123255 /nfs/dbraw/zinc/12/32/55/1029123255.db2.gz RGMYAXBDCVSAMU-SFHVURJKSA-N 1 2 351.454 2.586 20 30 FFEDLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C#CC2CC2)C1 ZINC001111741532 1029306424 /nfs/dbraw/zinc/30/64/24/1029306424.db2.gz CVCGUWGEZJQFGD-HTZUNMPGSA-N 1 2 370.497 2.812 20 30 FFEDLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C#CC2CC2)C1 ZINC001111741532 1029306434 /nfs/dbraw/zinc/30/64/34/1029306434.db2.gz CVCGUWGEZJQFGD-HTZUNMPGSA-N 1 2 370.497 2.812 20 30 FFEDLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C#CC2CC2)C1 ZINC001111741533 1029306576 /nfs/dbraw/zinc/30/65/76/1029306576.db2.gz CVCGUWGEZJQFGD-ZJTDPSCFSA-N 1 2 370.497 2.812 20 30 FFEDLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C#CC2CC2)C1 ZINC001111741533 1029306589 /nfs/dbraw/zinc/30/65/89/1029306589.db2.gz CVCGUWGEZJQFGD-ZJTDPSCFSA-N 1 2 370.497 2.812 20 30 FFEDLO Cc1nnc([C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)s1 ZINC001111741837 1029308407 /nfs/dbraw/zinc/30/84/07/1029308407.db2.gz RHTVMFVJKVBQOD-WTANOLMUSA-N 1 2 360.527 2.928 20 30 FFEDLO Cc1nnc([C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)s1 ZINC001111741837 1029308418 /nfs/dbraw/zinc/30/84/18/1029308418.db2.gz RHTVMFVJKVBQOD-WTANOLMUSA-N 1 2 360.527 2.928 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](OCC)C2CC2)C1 ZINC001111750853 1029333292 /nfs/dbraw/zinc/33/32/92/1029333292.db2.gz CUVQUNMHOZHCAB-ZOBUZTSGSA-N 1 2 371.319 2.681 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](OCC)C2CC2)C1 ZINC001111750853 1029333297 /nfs/dbraw/zinc/33/32/97/1029333297.db2.gz CUVQUNMHOZHCAB-ZOBUZTSGSA-N 1 2 371.319 2.681 20 30 FFEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)Oc1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164641904 1029349528 /nfs/dbraw/zinc/34/95/28/1029349528.db2.gz PMMXSHCYYFLELI-MRVPVSSYSA-N 1 2 374.178 2.663 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(CC3CC3)nn1)C2 ZINC001111761612 1029371644 /nfs/dbraw/zinc/37/16/44/1029371644.db2.gz CRQCZKZOTKNVOP-UWJYYQICSA-N 1 2 371.529 2.761 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(CC3CC3)nn1)C2 ZINC001111761612 1029371655 /nfs/dbraw/zinc/37/16/55/1029371655.db2.gz CRQCZKZOTKNVOP-UWJYYQICSA-N 1 2 371.529 2.761 20 30 FFEDLO COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1nccc(C)c1C#N ZINC001157503389 1029599219 /nfs/dbraw/zinc/59/92/19/1029599219.db2.gz GZLUKHOJXOLACL-SFHVURJKSA-N 1 2 364.449 2.516 20 30 FFEDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1nccc(C)c1C#N ZINC001157503389 1029599223 /nfs/dbraw/zinc/59/92/23/1029599223.db2.gz GZLUKHOJXOLACL-SFHVURJKSA-N 1 2 364.449 2.516 20 30 FFEDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ccc(C#N)c(C)n1 ZINC001157505886 1029599772 /nfs/dbraw/zinc/59/97/72/1029599772.db2.gz NTODRLPRWCXGAP-LJQANCHMSA-N 1 2 364.449 2.516 20 30 FFEDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ccc(C#N)c(C)n1 ZINC001157505886 1029599778 /nfs/dbraw/zinc/59/97/78/1029599778.db2.gz NTODRLPRWCXGAP-LJQANCHMSA-N 1 2 364.449 2.516 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)n1CC)C2 ZINC001111848858 1029613971 /nfs/dbraw/zinc/61/39/71/1029613971.db2.gz VUNPGVAFXWNWBW-SYNHAJSKSA-N 1 2 359.518 2.679 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)n1CC)C2 ZINC001111848858 1029613973 /nfs/dbraw/zinc/61/39/73/1029613973.db2.gz VUNPGVAFXWNWBW-SYNHAJSKSA-N 1 2 359.518 2.679 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(CC3CC3)no1)C2 ZINC001111859298 1029631044 /nfs/dbraw/zinc/63/10/44/1029631044.db2.gz YZPLNJFPDUMTJB-JXFKEZNVSA-N 1 2 358.486 2.849 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(CC3CC3)no1)C2 ZINC001111859298 1029631051 /nfs/dbraw/zinc/63/10/51/1029631051.db2.gz YZPLNJFPDUMTJB-JXFKEZNVSA-N 1 2 358.486 2.849 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C3CCC3)n1C)C2 ZINC001111859198 1029631060 /nfs/dbraw/zinc/63/10/60/1029631060.db2.gz SZRRGUZTYNLHAU-UWJYYQICSA-N 1 2 371.529 2.910 20 30 FFEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C3CCC3)n1C)C2 ZINC001111859198 1029631063 /nfs/dbraw/zinc/63/10/63/1029631063.db2.gz SZRRGUZTYNLHAU-UWJYYQICSA-N 1 2 371.529 2.910 20 30 FFEDLO N#Cc1ccccc1OCCCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001142225284 1030189077 /nfs/dbraw/zinc/18/90/77/1030189077.db2.gz DSESCVMXUOLUJI-UHFFFAOYSA-N 1 2 355.463 2.563 20 30 FFEDLO N#Cc1ccccc1OCCCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001142225284 1030189086 /nfs/dbraw/zinc/18/90/86/1030189086.db2.gz DSESCVMXUOLUJI-UHFFFAOYSA-N 1 2 355.463 2.563 20 30 FFEDLO N=C(c1ccccc1N)N(O)C(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1 ZINC001142370378 1030365264 /nfs/dbraw/zinc/36/52/64/1030365264.db2.gz XLRUZRVVUCEWBH-OVFPEYOOSA-N 1 2 361.405 2.770 20 30 FFEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842887121 1031024682 /nfs/dbraw/zinc/02/46/82/1031024682.db2.gz CGBZDBIERKRDCH-UHFFFAOYSA-N 1 2 351.406 2.790 20 30 FFEDLO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@H+](Cc3c[nH]c4cc(C#N)ccc34)[C@@H]2C1 ZINC001142929060 1031070584 /nfs/dbraw/zinc/07/05/84/1031070584.db2.gz UJSXUNOUCCYFBQ-CWFSZBLJSA-N 1 2 366.465 2.544 20 30 FFEDLO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@@H+](Cc3c[nH]c4cc(C#N)ccc34)[C@@H]2C1 ZINC001142929060 1031070597 /nfs/dbraw/zinc/07/05/97/1031070597.db2.gz UJSXUNOUCCYFBQ-CWFSZBLJSA-N 1 2 366.465 2.544 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(O)c(OCC)c1 ZINC001204129889 1031120548 /nfs/dbraw/zinc/12/05/48/1031120548.db2.gz VVGXZTZAHCKWFS-QGZVFWFLSA-N 1 2 357.454 2.826 20 30 FFEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(O)c(OCC)c1 ZINC001204129889 1031120553 /nfs/dbraw/zinc/12/05/53/1031120553.db2.gz VVGXZTZAHCKWFS-QGZVFWFLSA-N 1 2 357.454 2.826 20 30 FFEDLO N#Cc1ccccc1CN1Cc2c[nH+]cn2C[C@@H](COc2ccccn2)C1 ZINC001204370141 1031257663 /nfs/dbraw/zinc/25/76/63/1031257663.db2.gz QZKGUVYXUUCWJI-KRWDZBQOSA-N 1 2 359.433 2.861 20 30 FFEDLO CN(CCCN1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000797946248 1031262010 /nfs/dbraw/zinc/26/20/10/1031262010.db2.gz NBIDXIURFLBOHC-UHFFFAOYSA-N 1 2 372.513 2.933 20 30 FFEDLO Cc1ccc(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1C#N ZINC000799555850 1031802249 /nfs/dbraw/zinc/80/22/49/1031802249.db2.gz PPHRZAPAQKYRLL-UHFFFAOYSA-N 1 2 366.440 2.558 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[C@H]2CC[N@H+](Cc3cscn3)[C@H]2C1 ZINC001223200962 1033332877 /nfs/dbraw/zinc/33/28/77/1033332877.db2.gz VYFQSCHGGODCSW-AYBZRNKSSA-N 1 2 363.527 2.795 20 30 FFEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cscn3)[C@H]2C1 ZINC001223200962 1033332885 /nfs/dbraw/zinc/33/28/85/1033332885.db2.gz VYFQSCHGGODCSW-AYBZRNKSSA-N 1 2 363.527 2.795 20 30 FFEDLO CC(C)C[C@H](C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218866359 1033386079 /nfs/dbraw/zinc/38/60/79/1033386079.db2.gz KXJFPOCTNCTHLZ-JCGIZDLHSA-N 1 2 361.511 2.714 20 30 FFEDLO CC(C)C[C@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001218866359 1033386090 /nfs/dbraw/zinc/38/60/90/1033386090.db2.gz KXJFPOCTNCTHLZ-JCGIZDLHSA-N 1 2 361.511 2.714 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001223338694 1033403699 /nfs/dbraw/zinc/40/36/99/1033403699.db2.gz WMOLLSFTRLTNHF-KURKYZTESA-N 1 2 359.518 2.884 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001223338694 1033403708 /nfs/dbraw/zinc/40/37/08/1033403708.db2.gz WMOLLSFTRLTNHF-KURKYZTESA-N 1 2 359.518 2.884 20 30 FFEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(F)c(F)c1O ZINC001276945242 1033712700 /nfs/dbraw/zinc/71/27/00/1033712700.db2.gz JKUZDBCLWQZYPS-LJQANCHMSA-N 1 2 363.408 2.931 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(C4CC4)o3)[C@H]2C1 ZINC001224271312 1033813541 /nfs/dbraw/zinc/81/35/41/1033813541.db2.gz LCFCIRXZGYASRC-WBVHZDCISA-N 1 2 359.470 2.568 20 30 FFEDLO C=CCCOCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)[C@H]2C1 ZINC001224271312 1033813559 /nfs/dbraw/zinc/81/35/59/1033813559.db2.gz LCFCIRXZGYASRC-WBVHZDCISA-N 1 2 359.470 2.568 20 30 FFEDLO CCCC[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001220032610 1033948419 /nfs/dbraw/zinc/94/84/19/1033948419.db2.gz ZURINVILEZCGBR-OLMNPRSZSA-N 1 2 363.527 2.888 20 30 FFEDLO CCCC[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001220032610 1033948426 /nfs/dbraw/zinc/94/84/26/1033948426.db2.gz ZURINVILEZCGBR-OLMNPRSZSA-N 1 2 363.527 2.888 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@@H]1O ZINC001220280890 1034096205 /nfs/dbraw/zinc/09/62/05/1034096205.db2.gz XOCMAIMRHTZPMZ-AOIWGVFYSA-N 1 2 368.880 2.785 20 30 FFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)C[C@@H]1O ZINC001220280890 1034096214 /nfs/dbraw/zinc/09/62/14/1034096214.db2.gz XOCMAIMRHTZPMZ-AOIWGVFYSA-N 1 2 368.880 2.785 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccncc2NC(=O)C(C)(C)C)C1 ZINC001138458194 1034295844 /nfs/dbraw/zinc/29/58/44/1034295844.db2.gz ATTOYRQOJYTUKO-INIZCTEOSA-N 1 2 374.485 2.943 20 30 FFEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccncc2NC(=O)C(C)(C)C)C1 ZINC001138458194 1034295855 /nfs/dbraw/zinc/29/58/55/1034295855.db2.gz ATTOYRQOJYTUKO-INIZCTEOSA-N 1 2 374.485 2.943 20 30 FFEDLO C#CCOc1ccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC001138556091 1034407346 /nfs/dbraw/zinc/40/73/46/1034407346.db2.gz FGYLYQZQUFAXEM-UHFFFAOYSA-N 1 2 364.445 2.745 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2Cc3nccn3C[C@H](COCC3CC3)C2)cc1 ZINC001138558360 1034409831 /nfs/dbraw/zinc/40/98/31/1034409831.db2.gz RXNANCQERORCLQ-HXUWFJFHSA-N 1 2 365.477 2.954 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2Cc3nccn3C[C@H](COCC3CC3)C2)cc1 ZINC001138558360 1034409836 /nfs/dbraw/zinc/40/98/36/1034409836.db2.gz RXNANCQERORCLQ-HXUWFJFHSA-N 1 2 365.477 2.954 20 30 FFEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)cc1 ZINC001138559524 1034412882 /nfs/dbraw/zinc/41/28/82/1034412882.db2.gz NULDSCRPTZDUNL-FDFHNCONSA-N 1 2 364.445 2.904 20 30 FFEDLO C#CCOc1ccc(C[N@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)cc1 ZINC001138559524 1034412890 /nfs/dbraw/zinc/41/28/90/1034412890.db2.gz NULDSCRPTZDUNL-FDFHNCONSA-N 1 2 364.445 2.904 20 30 FFEDLO CC(=O)[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Cl)c(C#N)c1)CC2 ZINC001277083281 1034450614 /nfs/dbraw/zinc/45/06/14/1034450614.db2.gz DJFIQTFEZYJPRD-SUMWQHHRSA-N 1 2 373.884 2.907 20 30 FFEDLO CCCC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O)C(C)C ZINC001221111017 1034551960 /nfs/dbraw/zinc/55/19/60/1034551960.db2.gz UCEJUSMYNLFPBG-KSZLIROESA-N 1 2 363.527 2.743 20 30 FFEDLO CCCC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O)C(C)C ZINC001221111017 1034551966 /nfs/dbraw/zinc/55/19/66/1034551966.db2.gz UCEJUSMYNLFPBG-KSZLIROESA-N 1 2 363.527 2.743 20 30 FFEDLO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1)C(F)C(F)(F)F ZINC001226365333 1034651422 /nfs/dbraw/zinc/65/14/22/1034651422.db2.gz DOBOWAWVJTYSOR-OAGGEKHMSA-N 1 2 356.363 2.956 20 30 FFEDLO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1)[C@H](F)C(F)(F)F ZINC001226365333 1034651427 /nfs/dbraw/zinc/65/14/27/1034651427.db2.gz DOBOWAWVJTYSOR-OAGGEKHMSA-N 1 2 356.363 2.956 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2c(Cl)cc(OC)cc2OC)C1=O ZINC001277137685 1034733875 /nfs/dbraw/zinc/73/38/75/1034733875.db2.gz XWMNOFWPKJNNOR-LJQANCHMSA-N 1 2 362.857 2.557 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2c(Cl)cc(OC)cc2OC)C1=O ZINC001277137685 1034733886 /nfs/dbraw/zinc/73/38/86/1034733886.db2.gz XWMNOFWPKJNNOR-LJQANCHMSA-N 1 2 362.857 2.557 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(Cl)n3)C[C@H]21 ZINC001221421835 1034734987 /nfs/dbraw/zinc/73/49/87/1034734987.db2.gz JIJVYXGBKXBBLT-ZMSDIMECSA-N 1 2 363.889 2.749 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(Cl)n3)C[C@H]21 ZINC001221421835 1034735002 /nfs/dbraw/zinc/73/50/02/1034735002.db2.gz JIJVYXGBKXBBLT-ZMSDIMECSA-N 1 2 363.889 2.749 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccncc3Cl)C[C@H]21 ZINC001221421780 1034735491 /nfs/dbraw/zinc/73/54/91/1034735491.db2.gz HPTXSXSEQUKUOA-QGPMSJSTSA-N 1 2 363.889 2.749 20 30 FFEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccncc3Cl)C[C@H]21 ZINC001221421780 1034735501 /nfs/dbraw/zinc/73/55/01/1034735501.db2.gz HPTXSXSEQUKUOA-QGPMSJSTSA-N 1 2 363.889 2.749 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(CC)c3ccccc3)C[C@H]21 ZINC001221424437 1034740048 /nfs/dbraw/zinc/74/00/48/1034740048.db2.gz FARXPOWFXUZMFS-IEBWSBKVSA-N 1 2 355.482 2.538 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N(CC)c3ccccc3)C[C@H]21 ZINC001221424437 1034740061 /nfs/dbraw/zinc/74/00/61/1034740061.db2.gz FARXPOWFXUZMFS-IEBWSBKVSA-N 1 2 355.482 2.538 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](Cc3csc(-c4cnn(C)c4)n3)C[C@H]21 ZINC001221424755 1034742673 /nfs/dbraw/zinc/74/26/73/1034742673.db2.gz NMBPQLHNFHYTJU-RHSMWYFYSA-N 1 2 371.510 2.543 20 30 FFEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](Cc3csc(-c4cnn(C)c4)n3)C[C@H]21 ZINC001221424755 1034742685 /nfs/dbraw/zinc/74/26/85/1034742685.db2.gz NMBPQLHNFHYTJU-RHSMWYFYSA-N 1 2 371.510 2.543 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC001221443364 1034768600 /nfs/dbraw/zinc/76/86/00/1034768600.db2.gz YZSUXJDUZSFAQQ-CXAGYDPISA-N 1 2 352.837 2.714 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC001221443364 1034768615 /nfs/dbraw/zinc/76/86/15/1034768615.db2.gz YZSUXJDUZSFAQQ-CXAGYDPISA-N 1 2 352.837 2.714 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3OC)C[C@H]21 ZINC001221443094 1034769456 /nfs/dbraw/zinc/76/94/56/1034769456.db2.gz KLGOYPACCGHXID-RHSMWYFYSA-N 1 2 364.873 2.584 20 30 FFEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(Cl)ccc3OC)C[C@H]21 ZINC001221443094 1034769468 /nfs/dbraw/zinc/76/94/68/1034769468.db2.gz KLGOYPACCGHXID-RHSMWYFYSA-N 1 2 364.873 2.584 20 30 FFEDLO CC[C@@H](C)OCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221485579 1034808925 /nfs/dbraw/zinc/80/89/25/1034808925.db2.gz DSRKNBMAPBKARC-IDHHARJASA-N 1 2 359.445 2.545 20 30 FFEDLO CC[C@@H](C)OCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221485579 1034808936 /nfs/dbraw/zinc/80/89/36/1034808936.db2.gz DSRKNBMAPBKARC-IDHHARJASA-N 1 2 359.445 2.545 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCc3cccc(C)c3)C[C@H]21 ZINC001221585056 1034896407 /nfs/dbraw/zinc/89/64/07/1034896407.db2.gz QOUJLHGXYXYUMN-WOJBJXKFSA-N 1 2 369.509 2.500 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCc3cccc(C)c3)C[C@H]21 ZINC001221585056 1034896413 /nfs/dbraw/zinc/89/64/13/1034896413.db2.gz QOUJLHGXYXYUMN-WOJBJXKFSA-N 1 2 369.509 2.500 20 30 FFEDLO C=CCOC(=O)N1CC[NH+](Cc2ccc(Oc3ncccn3)cc2)CC1 ZINC001139083865 1034922873 /nfs/dbraw/zinc/92/28/73/1034922873.db2.gz SBLRVFAHSTVHEM-UHFFFAOYSA-N 1 2 354.410 2.709 20 30 FFEDLO CCOCC1(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)CC1 ZINC001221653490 1034951330 /nfs/dbraw/zinc/95/13/30/1034951330.db2.gz JQQNOMIGEYSGOH-UYAOXDASSA-N 1 2 370.468 2.527 20 30 FFEDLO CCOCC1(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)CC1 ZINC001221653490 1034951337 /nfs/dbraw/zinc/95/13/37/1034951337.db2.gz JQQNOMIGEYSGOH-UYAOXDASSA-N 1 2 370.468 2.527 20 30 FFEDLO CCOCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)CC1 ZINC001221654851 1034953505 /nfs/dbraw/zinc/95/35/05/1034953505.db2.gz VCWFQUWMFZANOZ-VQIMIIECSA-N 1 2 371.456 2.547 20 30 FFEDLO CCOCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)CC1 ZINC001221654851 1034953508 /nfs/dbraw/zinc/95/35/08/1034953508.db2.gz VCWFQUWMFZANOZ-VQIMIIECSA-N 1 2 371.456 2.547 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)c3ccccc3)C[C@H]21 ZINC001221779946 1035062366 /nfs/dbraw/zinc/06/23/66/1035062366.db2.gz UPIPWMBYCSHBAZ-IEBWSBKVSA-N 1 2 355.482 2.538 20 30 FFEDLO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)c3ccccc3)C[C@H]21 ZINC001221779946 1035062372 /nfs/dbraw/zinc/06/23/72/1035062372.db2.gz UPIPWMBYCSHBAZ-IEBWSBKVSA-N 1 2 355.482 2.538 20 30 FFEDLO CN(CC#N)Cc1cccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001139709044 1035203423 /nfs/dbraw/zinc/20/34/23/1035203423.db2.gz XLGCTAXEXKXOIP-UHFFFAOYSA-N 1 2 358.486 2.695 20 30 FFEDLO Cc1ccc(C[NH+]2CCN(CC(=O)N(C)c3ccccc3)CC2)cc1C#N ZINC001139726018 1035210242 /nfs/dbraw/zinc/21/02/42/1035210242.db2.gz NGTKMUQWYJDRFQ-UHFFFAOYSA-N 1 2 362.477 2.647 20 30 FFEDLO C=CCn1cc(C[N@H+]2CCC[C@H](c3cccc(S(C)(=O)=O)c3)C2)cn1 ZINC001139771013 1035227201 /nfs/dbraw/zinc/22/72/01/1035227201.db2.gz KTLFOTUZPOFCIG-SFHVURJKSA-N 1 2 359.495 2.852 20 30 FFEDLO C=CCn1cc(C[N@@H+]2CCC[C@H](c3cccc(S(C)(=O)=O)c3)C2)cn1 ZINC001139771013 1035227205 /nfs/dbraw/zinc/22/72/05/1035227205.db2.gz KTLFOTUZPOFCIG-SFHVURJKSA-N 1 2 359.495 2.852 20 30 FFEDLO CCn1ncc2c1C[N@H+](Cc1ccc(C#N)nc1)C[C@@H]2COCC1CC1 ZINC001140541877 1035596803 /nfs/dbraw/zinc/59/68/03/1035596803.db2.gz WTDZGXJUNXMNQZ-QGZVFWFLSA-N 1 2 351.454 2.696 20 30 FFEDLO CCn1ncc2c1C[N@@H+](Cc1ccc(C#N)nc1)C[C@@H]2COCC1CC1 ZINC001140541877 1035596821 /nfs/dbraw/zinc/59/68/21/1035596821.db2.gz WTDZGXJUNXMNQZ-QGZVFWFLSA-N 1 2 351.454 2.696 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC001232676697 1035932291 /nfs/dbraw/zinc/93/22/91/1035932291.db2.gz PZLITFMZLHBIST-UHFFFAOYSA-N 1 2 362.355 3.000 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)c1 ZINC001232676156 1035932843 /nfs/dbraw/zinc/93/28/43/1035932843.db2.gz GPECYZLRJBNPNI-RDJZCZTQSA-N 1 2 354.479 2.817 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)c1 ZINC001232676156 1035932854 /nfs/dbraw/zinc/93/28/54/1035932854.db2.gz GPECYZLRJBNPNI-RDJZCZTQSA-N 1 2 354.479 2.817 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)c1 ZINC001232676662 1035933733 /nfs/dbraw/zinc/93/37/33/1035933733.db2.gz AYJAMCRSXAEGLF-UHFFFAOYSA-N 1 2 363.465 2.936 20 30 FFEDLO N#Cc1ccc(O)c(C[NH+]2CCN(c3ncccc3C(F)(F)F)CC2)c1 ZINC001232673207 1035933870 /nfs/dbraw/zinc/93/38/70/1035933870.db2.gz CMPRNOHSVFGZAX-UHFFFAOYSA-N 1 2 362.355 3.000 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@H]3CN(C(=O)c4ccsc4)C[C@H]3C2)c1 ZINC001232678000 1035935402 /nfs/dbraw/zinc/93/54/02/1035935402.db2.gz TUIMEUGNYCQVKV-CALCHBBNSA-N 1 2 353.447 2.529 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@H]3CN(C(=O)c4ccsc4)C[C@H]3C2)c1 ZINC001232678000 1035935417 /nfs/dbraw/zinc/93/54/17/1035935417.db2.gz TUIMEUGNYCQVKV-CALCHBBNSA-N 1 2 353.447 2.529 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(C#N)ccc3O)C[C@H]2C1 ZINC001232678731 1035936994 /nfs/dbraw/zinc/93/69/94/1035936994.db2.gz NUDQCCNUPACUJW-WBVHZDCISA-N 1 2 357.454 2.953 20 30 FFEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3O)C[C@H]2C1 ZINC001232678731 1035937003 /nfs/dbraw/zinc/93/70/03/1035937003.db2.gz NUDQCCNUPACUJW-WBVHZDCISA-N 1 2 357.454 2.953 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001228129793 1035950299 /nfs/dbraw/zinc/95/02/99/1035950299.db2.gz JGYGNIKYOZIHLF-ARFHVFGLSA-N 1 2 362.522 2.547 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCc2ncnc(N3CCCC3)c2CC1 ZINC001232891329 1036134408 /nfs/dbraw/zinc/13/44/08/1036134408.db2.gz JFIJNXQZSIYVGQ-UHFFFAOYSA-N 1 2 351.429 2.688 20 30 FFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCc2ncnc(N3CCCC3)c2CC1 ZINC001232891329 1036134417 /nfs/dbraw/zinc/13/44/17/1036134417.db2.gz JFIJNXQZSIYVGQ-UHFFFAOYSA-N 1 2 351.429 2.688 20 30 FFEDLO N#Cc1cc(C[N@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)ccc1Br ZINC001232894412 1036137599 /nfs/dbraw/zinc/13/75/99/1036137599.db2.gz ZLCPRDDDWPNZPW-NEPJUHHUSA-N 1 2 363.177 2.923 20 30 FFEDLO N#Cc1cc(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)ccc1Br ZINC001232894412 1036137610 /nfs/dbraw/zinc/13/76/10/1036137610.db2.gz ZLCPRDDDWPNZPW-NEPJUHHUSA-N 1 2 363.177 2.923 20 30 FFEDLO CC(=O)N(C)C1CC[NH+](Cc2ccc(Br)c(C#N)c2)CC1 ZINC001232899061 1036139353 /nfs/dbraw/zinc/13/93/53/1036139353.db2.gz KPGRRBZYVGEYCE-UHFFFAOYSA-N 1 2 350.260 2.763 20 30 FFEDLO C=C(C)CN1CC2(C[NH+](C[C@H](O)CCCCCCCC)C2)OCC1=O ZINC001277733255 1036148841 /nfs/dbraw/zinc/14/88/41/1036148841.db2.gz CPSRXPFYQXELDU-GOSISDBHSA-N 1 2 352.519 2.587 20 30 FFEDLO N#CCCN1CC[NH+](Cc2cnn(-c3cccc(C(F)(F)F)c3)c2)CC1 ZINC001233041681 1036287032 /nfs/dbraw/zinc/28/70/32/1036287032.db2.gz UXDWZUBPPLEZFX-UHFFFAOYSA-N 1 2 363.387 2.922 20 30 FFEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001233043667 1036287855 /nfs/dbraw/zinc/28/78/55/1036287855.db2.gz DUKWZCJHRWKFGI-DFQSSKMNSA-N 1 2 352.438 2.620 20 30 FFEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001233043667 1036287874 /nfs/dbraw/zinc/28/78/74/1036287874.db2.gz DUKWZCJHRWKFGI-DFQSSKMNSA-N 1 2 352.438 2.620 20 30 FFEDLO CC(C)CC(=O)N1CCC[N@H+](Cc2ccc(N(C)C)c(C#N)c2F)CC1 ZINC001233103206 1036353702 /nfs/dbraw/zinc/35/37/02/1036353702.db2.gz ZXPCPTIDDNFUOQ-UHFFFAOYSA-N 1 2 360.477 2.844 20 30 FFEDLO CC(C)CC(=O)N1CCC[N@@H+](Cc2ccc(N(C)C)c(C#N)c2F)CC1 ZINC001233103206 1036353722 /nfs/dbraw/zinc/35/37/22/1036353722.db2.gz ZXPCPTIDDNFUOQ-UHFFFAOYSA-N 1 2 360.477 2.844 20 30 FFEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4cc(Br)cnc4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233642382 1036705058 /nfs/dbraw/zinc/70/50/58/1036705058.db2.gz HKTMOZPCWMFKHS-WLARWPFNSA-N 1 2 361.239 2.989 20 30 FFEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4cc(Br)cnc4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233642382 1036705075 /nfs/dbraw/zinc/70/50/75/1036705075.db2.gz HKTMOZPCWMFKHS-WLARWPFNSA-N 1 2 361.239 2.989 20 30 FFEDLO C=CCN1CC2(C[NH+](C[C@H](O)CCCCCCCCCC)C2)OCC1=O ZINC001277812809 1036791704 /nfs/dbraw/zinc/79/17/04/1036791704.db2.gz GNYNMEKOGQZXGD-LJQANCHMSA-N 1 2 366.546 2.977 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ncccn2)C[C@H]1C ZINC001206966819 1036995853 /nfs/dbraw/zinc/99/58/53/1036995853.db2.gz XYHWPNOAKVCZNN-KZNAEPCWSA-N 1 2 360.502 2.737 20 30 FFEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ncccn2)C[C@H]1C ZINC001206966819 1036995867 /nfs/dbraw/zinc/99/58/67/1036995867.db2.gz XYHWPNOAKVCZNN-KZNAEPCWSA-N 1 2 360.502 2.737 20 30 FFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC[C@]23CC(=O)N(CC(F)(F)F)C3)c1 ZINC001277849675 1037004847 /nfs/dbraw/zinc/00/48/47/1037004847.db2.gz FEYXKEYYBGYHAW-QGZVFWFLSA-N 1 2 367.371 2.783 20 30 FFEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC[C@]23CC(=O)N(CC(F)(F)F)C3)c1 ZINC001277849675 1037004867 /nfs/dbraw/zinc/00/48/67/1037004867.db2.gz FEYXKEYYBGYHAW-QGZVFWFLSA-N 1 2 367.371 2.783 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(F)cc1C(=O)OC ZINC001276503195 1037084607 /nfs/dbraw/zinc/08/46/07/1037084607.db2.gz JNRHRBQNPKHETM-FQEVSTJZSA-N 1 2 360.429 2.755 20 30 FFEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(F)cc1C(=O)OC ZINC001276503195 1037084622 /nfs/dbraw/zinc/08/46/22/1037084622.db2.gz JNRHRBQNPKHETM-FQEVSTJZSA-N 1 2 360.429 2.755 20 30 FFEDLO Cn1cc(C[N@@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)cc1C#N ZINC001207105002 1037150803 /nfs/dbraw/zinc/15/08/03/1037150803.db2.gz MJNNCAIBBCYTSO-VDZJLULYSA-N 1 2 372.494 2.549 20 30 FFEDLO Cn1cc(C[N@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)cc1C#N ZINC001207105002 1037150808 /nfs/dbraw/zinc/15/08/08/1037150808.db2.gz MJNNCAIBBCYTSO-VDZJLULYSA-N 1 2 372.494 2.549 20 30 FFEDLO Cn1cc(C[N@@H+]2CCC[C@H](c3cccc(S(C)(=O)=O)c3)C2)cc1C#N ZINC001207110381 1037154870 /nfs/dbraw/zinc/15/48/70/1037154870.db2.gz JTVLOMTYHQIAHB-KRWDZBQOSA-N 1 2 357.479 2.680 20 30 FFEDLO Cn1cc(C[N@H+]2CCC[C@H](c3cccc(S(C)(=O)=O)c3)C2)cc1C#N ZINC001207110381 1037154880 /nfs/dbraw/zinc/15/48/80/1037154880.db2.gz JTVLOMTYHQIAHB-KRWDZBQOSA-N 1 2 357.479 2.680 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc(CC)no2)C[C@H]1C ZINC001207153426 1037198191 /nfs/dbraw/zinc/19/81/91/1037198191.db2.gz ZHTJHUMDIXLTIV-NQBHXWOUSA-N 1 2 354.882 2.908 20 30 FFEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc(CC)no2)C[C@H]1C ZINC001207153426 1037198203 /nfs/dbraw/zinc/19/82/03/1037198203.db2.gz ZHTJHUMDIXLTIV-NQBHXWOUSA-N 1 2 354.882 2.908 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2csc(-c3ncccn3)n2)C[C@H]1C ZINC001207200817 1037239695 /nfs/dbraw/zinc/23/96/95/1037239695.db2.gz SUDRYVNSJXOFFM-GDBMZVCRSA-N 1 2 371.510 2.893 20 30 FFEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2csc(-c3ncccn3)n2)C[C@H]1C ZINC001207200817 1037239700 /nfs/dbraw/zinc/23/97/00/1037239700.db2.gz SUDRYVNSJXOFFM-GDBMZVCRSA-N 1 2 371.510 2.893 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3C)C[C@H]2C)CCC1 ZINC001207510006 1037506818 /nfs/dbraw/zinc/50/68/18/1037506818.db2.gz ICFMPSMUZGNEFC-IEBWSBKVSA-N 1 2 367.493 2.564 20 30 FFEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](CC(=O)Nc3ccccc3C)C[C@H]2C)CCC1 ZINC001207510006 1037506831 /nfs/dbraw/zinc/50/68/31/1037506831.db2.gz ICFMPSMUZGNEFC-IEBWSBKVSA-N 1 2 367.493 2.564 20 30 FFEDLO C=CC(C)(C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001231274402 1037520520 /nfs/dbraw/zinc/52/05/20/1037520520.db2.gz ZIDAZMMXZCAXMT-CVEARBPZSA-N 1 2 351.878 2.976 20 30 FFEDLO C=CC(C)(C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001231274402 1037520529 /nfs/dbraw/zinc/52/05/29/1037520529.db2.gz ZIDAZMMXZCAXMT-CVEARBPZSA-N 1 2 351.878 2.976 20 30 FFEDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1ccccc1CC#N ZINC001235513756 1037598488 /nfs/dbraw/zinc/59/84/88/1037598488.db2.gz KWJSHBDXNOQHTJ-FQEVSTJZSA-N 1 2 365.481 2.766 20 30 FFEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(OC(=O)C(C)C)c(OC)c2)CC1 ZINC001231535340 1037663347 /nfs/dbraw/zinc/66/33/47/1037663347.db2.gz URJSLNIVZXRAKG-UHFFFAOYSA-N 1 2 374.437 2.535 20 30 FFEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cnc(OC)c(Cl)c3)C2)CC1 ZINC001235693728 1037690421 /nfs/dbraw/zinc/69/04/21/1037690421.db2.gz DTZOAXAUGZSWHA-UHFFFAOYSA-N 1 2 365.861 2.964 20 30 FFEDLO Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(C(=O)c2cc(Cl)cs2)C3)cc1C#N ZINC001277555946 1037844631 /nfs/dbraw/zinc/84/46/31/1037844631.db2.gz VRFYACNEFXQYMP-CJNGLKHVSA-N 1 2 374.897 2.958 20 30 FFEDLO Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(C(=O)c2cc(Cl)cs2)C3)cc1C#N ZINC001277555946 1037844655 /nfs/dbraw/zinc/84/46/55/1037844655.db2.gz VRFYACNEFXQYMP-CJNGLKHVSA-N 1 2 374.897 2.958 20 30 FFEDLO N#CCc1ccc(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)cc1 ZINC001278890092 1038205741 /nfs/dbraw/zinc/20/57/41/1038205741.db2.gz KIEZNJSIYRADPU-UHFFFAOYSA-N 1 2 351.372 2.995 20 30 FFEDLO N#CCc1ccc(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)cc1 ZINC001278890092 1038205755 /nfs/dbraw/zinc/20/57/55/1038205755.db2.gz KIEZNJSIYRADPU-UHFFFAOYSA-N 1 2 351.372 2.995 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[C@@H](C=C)CC)C2)c1 ZINC001208393185 1038279443 /nfs/dbraw/zinc/27/94/43/1038279443.db2.gz KECYRXYDQGGKAK-FUHIMQAGSA-N 1 2 367.493 2.645 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C[C@@H](C=C)CC)C2)c1 ZINC001208393185 1038279449 /nfs/dbraw/zinc/27/94/49/1038279449.db2.gz KECYRXYDQGGKAK-FUHIMQAGSA-N 1 2 367.493 2.645 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001208393925 1038280984 /nfs/dbraw/zinc/28/09/84/1038280984.db2.gz ZQTOLYIRDBVQRT-IIDMSEBBSA-N 1 2 361.461 2.803 20 30 FFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001208393925 1038280999 /nfs/dbraw/zinc/28/09/99/1038280999.db2.gz ZQTOLYIRDBVQRT-IIDMSEBBSA-N 1 2 361.461 2.803 20 30 FFEDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(Br)c2)C1 ZINC001236866973 1038316265 /nfs/dbraw/zinc/31/62/65/1038316265.db2.gz WSHDOAPQJBPKSK-CQSZACIVSA-N 1 2 350.260 2.811 20 30 FFEDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(Br)c2)C1 ZINC001236866973 1038316275 /nfs/dbraw/zinc/31/62/75/1038316275.db2.gz WSHDOAPQJBPKSK-CQSZACIVSA-N 1 2 350.260 2.811 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3)C[C@H]2C)CCC1 ZINC001208498552 1038361273 /nfs/dbraw/zinc/36/12/73/1038361273.db2.gz WIQZKYJUUVRMNT-SJLPKXTDSA-N 1 2 355.482 2.808 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](CC(=O)Nc3ccccc3)C[C@H]2C)CCC1 ZINC001208498552 1038361285 /nfs/dbraw/zinc/36/12/85/1038361285.db2.gz WIQZKYJUUVRMNT-SJLPKXTDSA-N 1 2 355.482 2.808 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)c3ccccc3)C[C@H]2C)CC1 ZINC001208500308 1038362931 /nfs/dbraw/zinc/36/29/31/1038362931.db2.gz MWRYBTMONLZJDM-IEBWSBKVSA-N 1 2 369.509 2.832 20 30 FFEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)c3ccccc3)C[C@H]2C)CC1 ZINC001208500308 1038362940 /nfs/dbraw/zinc/36/29/40/1038362940.db2.gz MWRYBTMONLZJDM-IEBWSBKVSA-N 1 2 369.509 2.832 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CC(=O)Nc3ccc(O)cc3)C[C@H]2C)CCC1 ZINC001208507703 1038371858 /nfs/dbraw/zinc/37/18/58/1038371858.db2.gz YKPFNQHYZOZFNA-CRAIPNDOSA-N 1 2 371.481 2.514 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](CC(=O)Nc3ccc(O)cc3)C[C@H]2C)CCC1 ZINC001208507703 1038371869 /nfs/dbraw/zinc/37/18/69/1038371869.db2.gz YKPFNQHYZOZFNA-CRAIPNDOSA-N 1 2 371.481 2.514 20 30 FFEDLO N#Cc1ccc(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)c(F)c1 ZINC001278060289 1038461783 /nfs/dbraw/zinc/46/17/83/1038461783.db2.gz GITUVEFRORZXOP-UHFFFAOYSA-N 1 2 355.335 2.940 20 30 FFEDLO N#Cc1ccc(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)c(F)c1 ZINC001278060289 1038461784 /nfs/dbraw/zinc/46/17/84/1038461784.db2.gz GITUVEFRORZXOP-UHFFFAOYSA-N 1 2 355.335 2.940 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H]2OCC[N@H+](CCCc3ccc(C#N)cc3)[C@@H]2C1 ZINC001208856419 1038559144 /nfs/dbraw/zinc/55/91/44/1038559144.db2.gz MUNVVICUZRNFFS-RTBURBONSA-N 1 2 371.481 2.811 20 30 FFEDLO CC(C)(C)OC(=O)N1C[C@H]2OCC[N@@H+](CCCc3ccc(C#N)cc3)[C@@H]2C1 ZINC001208856419 1038559151 /nfs/dbraw/zinc/55/91/51/1038559151.db2.gz MUNVVICUZRNFFS-RTBURBONSA-N 1 2 371.481 2.811 20 30 FFEDLO C=CCOC[C@@H]1C[N@@H+](CC(C)(C)C(=O)CC)Cc2nnn(CC3CC3)c21 ZINC001208915838 1038587100 /nfs/dbraw/zinc/58/71/00/1038587100.db2.gz PLOMJMCZLOPMCE-INIZCTEOSA-N 1 2 360.502 2.795 20 30 FFEDLO C=CCOC[C@@H]1C[N@H+](CC(C)(C)C(=O)CC)Cc2nnn(CC3CC3)c21 ZINC001208915838 1038587107 /nfs/dbraw/zinc/58/71/07/1038587107.db2.gz PLOMJMCZLOPMCE-INIZCTEOSA-N 1 2 360.502 2.795 20 30 FFEDLO CC(C)(C)OC(=O)[C@H](CC(N)=O)[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257011457 1038679289 /nfs/dbraw/zinc/67/92/89/1038679289.db2.gz OKPLXVQNNCATAI-ABHNRTSZSA-N 1 2 371.481 2.760 20 30 FFEDLO CC[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](CC(=O)c1ccc(C#N)cc1)CC2 ZINC001276626946 1038730659 /nfs/dbraw/zinc/73/06/59/1038730659.db2.gz FMVSDALCNPMCIU-QAPCUYQASA-N 1 2 353.466 2.758 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)CCC(C)(C)C)C2)c1 ZINC001209656639 1039110572 /nfs/dbraw/zinc/11/05/72/1039110572.db2.gz GHXJVHZRMOMDKU-VQIMIIECSA-N 1 2 369.509 2.869 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CCC(C)(C)C)C2)c1 ZINC001209656639 1039110584 /nfs/dbraw/zinc/11/05/84/1039110584.db2.gz GHXJVHZRMOMDKU-VQIMIIECSA-N 1 2 369.509 2.869 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(CC)CCOCC2)C1 ZINC001209807952 1039236189 /nfs/dbraw/zinc/23/61/89/1039236189.db2.gz JDTFDYJMYAPRCN-TZMCWYRMSA-N 1 2 359.308 2.538 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CC)CCOCC2)C1 ZINC001209807952 1039236203 /nfs/dbraw/zinc/23/62/03/1039236203.db2.gz JDTFDYJMYAPRCN-TZMCWYRMSA-N 1 2 359.308 2.538 20 30 FFEDLO N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2nc3c(s2)CCCC3)C1=O ZINC001276676290 1039315272 /nfs/dbraw/zinc/31/52/72/1039315272.db2.gz ZAVLGHXMCHWYOC-LJQANCHMSA-N 1 2 358.511 2.893 20 30 FFEDLO N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2nc3c(s2)CCCC3)C1=O ZINC001276676290 1039315291 /nfs/dbraw/zinc/31/52/91/1039315291.db2.gz ZAVLGHXMCHWYOC-LJQANCHMSA-N 1 2 358.511 2.893 20 30 FFEDLO N#C[C@H]1C[NH2+]CCN1Cc1c(Br)cccc1OC(F)(F)F ZINC001210121924 1039392712 /nfs/dbraw/zinc/39/27/12/1039392712.db2.gz NVEPDSLDSXONJO-VIFPVBQESA-N 1 2 364.165 2.645 20 30 FFEDLO CCCCCCCC[C@@H](O)C[N@@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001252127211 1039441853 /nfs/dbraw/zinc/44/18/53/1039441853.db2.gz YREASWCDMXEJIA-SJLPKXTDSA-N 1 2 352.523 2.955 20 30 FFEDLO CCCCCCCC[C@@H](O)C[N@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001252127211 1039441863 /nfs/dbraw/zinc/44/18/63/1039441863.db2.gz YREASWCDMXEJIA-SJLPKXTDSA-N 1 2 352.523 2.955 20 30 FFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCc2ccccn2)C1 ZINC001210477486 1039573297 /nfs/dbraw/zinc/57/32/97/1039573297.db2.gz UCZGXTAIEILTHR-CZUORRHYSA-N 1 2 366.303 2.749 20 30 FFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCc2ccccn2)C1 ZINC001210477486 1039573305 /nfs/dbraw/zinc/57/33/05/1039573305.db2.gz UCZGXTAIEILTHR-CZUORRHYSA-N 1 2 366.303 2.749 20 30 FFEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CCCC(F)(F)F)c1 ZINC001278680770 1039687616 /nfs/dbraw/zinc/68/76/16/1039687616.db2.gz IGLNWFCDNFLCDU-SJORKVTESA-N 1 2 371.378 2.925 20 30 FFEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CCCC(F)(F)F)c1 ZINC001278680770 1039687625 /nfs/dbraw/zinc/68/76/25/1039687625.db2.gz IGLNWFCDNFLCDU-SJORKVTESA-N 1 2 371.378 2.925 20 30 FFEDLO CC[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC001259121945 1039729636 /nfs/dbraw/zinc/72/96/36/1039729636.db2.gz OHBKFTRTVGWXFN-IBGZPJMESA-N 1 2 369.490 2.843 20 30 FFEDLO CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC001259121945 1039729649 /nfs/dbraw/zinc/72/96/49/1039729649.db2.gz OHBKFTRTVGWXFN-IBGZPJMESA-N 1 2 369.490 2.843 20 30 FFEDLO N#CCCCN1CC2(CCC1=O)CC[NH+](CC(=O)c1cccs1)CC2 ZINC001276690624 1039776576 /nfs/dbraw/zinc/77/65/76/1039776576.db2.gz GTKQRLKDYUWIPN-UHFFFAOYSA-N 1 2 359.495 2.939 20 30 FFEDLO N#Cc1cccc(-c2noc([C@H]([NH3+])Cc3cn(C=O)c4ccccc34)n2)c1 ZINC001247684433 1039891287 /nfs/dbraw/zinc/89/12/87/1039891287.db2.gz MFWCHXNGEYNWOK-QGZVFWFLSA-N 1 2 357.373 2.844 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1C)c1ccccc1 ZINC001211225070 1040013604 /nfs/dbraw/zinc/01/36/04/1040013604.db2.gz ZUMSUOFVXJNIIY-ZHALLVOQSA-N 1 2 350.466 2.773 20 30 FFEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ncccn2)C[C@H]1C)c1ccccc1 ZINC001211225070 1040013622 /nfs/dbraw/zinc/01/36/22/1040013622.db2.gz ZUMSUOFVXJNIIY-ZHALLVOQSA-N 1 2 350.466 2.773 20 30 FFEDLO CC(=O)NCSC[C@@H]([NH3+])c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001248435776 1040275101 /nfs/dbraw/zinc/27/51/01/1040275101.db2.gz LGZDNFHPINJVAP-MRXNPFEDSA-N 1 2 367.434 2.588 20 30 FFEDLO COc1cc(O)c(C[NH+]2CCC(C#N)CC2)cc1I ZINC001248459493 1040284129 /nfs/dbraw/zinc/28/41/29/1040284129.db2.gz WPOYECPEWDKUKO-UHFFFAOYSA-N 1 2 372.206 2.741 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213269194 1040394494 /nfs/dbraw/zinc/39/44/94/1040394494.db2.gz DISVWNKSIFHARW-WOJBJXKFSA-N 1 2 371.456 2.596 20 30 FFEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001213269194 1040394506 /nfs/dbraw/zinc/39/45/06/1040394506.db2.gz DISVWNKSIFHARW-WOJBJXKFSA-N 1 2 371.456 2.596 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc3ccccc3o2)C[C@H]1OC ZINC001213303779 1040425054 /nfs/dbraw/zinc/42/50/54/1040425054.db2.gz ZSVUREUNWHWINP-KVSKMBFKSA-N 1 2 369.465 2.898 20 30 FFEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc3ccccc3o2)C[C@H]1OC ZINC001213303779 1040425064 /nfs/dbraw/zinc/42/50/64/1040425064.db2.gz ZSVUREUNWHWINP-KVSKMBFKSA-N 1 2 369.465 2.898 20 30 FFEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)CCCC1CC1 ZINC001213305747 1040428428 /nfs/dbraw/zinc/42/84/28/1040428428.db2.gz PYNHKUSZFSIYEA-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)CCCC1CC1 ZINC001213305747 1040428433 /nfs/dbraw/zinc/42/84/33/1040428433.db2.gz PYNHKUSZFSIYEA-RTBURBONSA-N 1 2 359.445 2.593 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]2OC)CC1 ZINC001213386954 1040498626 /nfs/dbraw/zinc/49/86/26/1040498626.db2.gz FBOIRAXIRAREHI-QZTJIDSGSA-N 1 2 360.885 2.697 20 30 FFEDLO CCC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]2OC)CC1 ZINC001213386954 1040498638 /nfs/dbraw/zinc/49/86/38/1040498638.db2.gz FBOIRAXIRAREHI-QZTJIDSGSA-N 1 2 360.885 2.697 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213390185 1040506123 /nfs/dbraw/zinc/50/61/23/1040506123.db2.gz STKVVJAAPXTKSZ-QWFCFKBJSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001213390185 1040506142 /nfs/dbraw/zinc/50/61/42/1040506142.db2.gz STKVVJAAPXTKSZ-QWFCFKBJSA-N 1 2 359.445 2.615 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2cnn3ccc(C#N)cc23)CC1 ZINC001249086674 1040574400 /nfs/dbraw/zinc/57/44/00/1040574400.db2.gz MZPVYZSJLMXNQA-UHFFFAOYSA-N 1 2 355.442 2.649 20 30 FFEDLO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2cnn3ccc(C#N)cc23)CC1 ZINC001249086674 1040574406 /nfs/dbraw/zinc/57/44/06/1040574406.db2.gz MZPVYZSJLMXNQA-UHFFFAOYSA-N 1 2 355.442 2.649 20 30 FFEDLO Cc1cnc(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)c(C#N)c1 ZINC001213481612 1040594527 /nfs/dbraw/zinc/59/45/27/1040594527.db2.gz JDAQUVMEAMFZRF-UHFFFAOYSA-N 1 2 356.401 2.855 20 30 FFEDLO CCC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1OC)C(C)C ZINC001213508725 1040622605 /nfs/dbraw/zinc/62/26/05/1040622605.db2.gz BLGOJZHFZYXFLL-VAMGGRTRSA-N 1 2 357.498 2.946 20 30 FFEDLO CCC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1OC)C(C)C ZINC001213508725 1040622610 /nfs/dbraw/zinc/62/26/10/1040622610.db2.gz BLGOJZHFZYXFLL-VAMGGRTRSA-N 1 2 357.498 2.946 20 30 FFEDLO C=C[C@H]1C[C@]1([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)OCC ZINC001254467470 1040735085 /nfs/dbraw/zinc/73/50/85/1040735085.db2.gz AQOJCGFFUZPKMW-IFXJQAMLSA-N 1 2 359.426 2.661 20 30 FFEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@@H](C)c1ccco1 ZINC001213733280 1040853444 /nfs/dbraw/zinc/85/34/44/1040853444.db2.gz FMBIZZZNBJSLCO-YFVAEKQCSA-N 1 2 366.461 2.640 20 30 FFEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@@H](C)c1ccco1 ZINC001213733280 1040853454 /nfs/dbraw/zinc/85/34/54/1040853454.db2.gz FMBIZZZNBJSLCO-YFVAEKQCSA-N 1 2 366.461 2.640 20 30 FFEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@H]1OC ZINC001213770822 1040890215 /nfs/dbraw/zinc/89/02/15/1040890215.db2.gz KFYORORNEFFWHN-KZNAEPCWSA-N 1 2 369.550 2.597 20 30 FFEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@H]1OC ZINC001213770822 1040890226 /nfs/dbraw/zinc/89/02/26/1040890226.db2.gz KFYORORNEFFWHN-KZNAEPCWSA-N 1 2 369.550 2.597 20 30 FFEDLO CCCCCC[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001213888056 1041027599 /nfs/dbraw/zinc/02/75/99/1041027599.db2.gz NJQSCDIOGXQCMB-SBHAEUEKSA-N 1 2 366.546 2.838 20 30 FFEDLO CCCCCC[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001213888056 1041027613 /nfs/dbraw/zinc/02/76/13/1041027613.db2.gz NJQSCDIOGXQCMB-SBHAEUEKSA-N 1 2 366.546 2.838 20 30 FFEDLO CCOC(=O)CCCc1[nH+]c2cc(Nc3ccncc3C#N)ccc2n1C ZINC001214015544 1041161631 /nfs/dbraw/zinc/16/16/31/1041161631.db2.gz WUEDQIHOCNWOCY-UHFFFAOYSA-N 1 2 363.421 2.891 20 30 FFEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC001261411838 1041222649 /nfs/dbraw/zinc/22/26/49/1041222649.db2.gz MHAVRLMQSRKISX-UHFFFAOYSA-N 1 2 351.450 2.572 20 30 FFEDLO C=CCC[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001262655586 1041777034 /nfs/dbraw/zinc/77/70/34/1041777034.db2.gz SMBVYYSRBJJMBA-MOPGFXCFSA-N 1 2 372.513 2.975 20 30 FFEDLO C=CCC[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001262655586 1041777041 /nfs/dbraw/zinc/77/70/41/1041777041.db2.gz SMBVYYSRBJJMBA-MOPGFXCFSA-N 1 2 372.513 2.975 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1C ZINC001262916872 1041958144 /nfs/dbraw/zinc/95/81/44/1041958144.db2.gz XHFSTJIKRRAFHT-RTBURBONSA-N 1 2 367.497 2.934 20 30 FFEDLO C=CCN(Cc1ccccc1)c1nnc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)n1C ZINC001262916872 1041958147 /nfs/dbraw/zinc/95/81/47/1041958147.db2.gz XHFSTJIKRRAFHT-RTBURBONSA-N 1 2 367.497 2.934 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cccc(C(F)(F)F)c2O)C1=O ZINC001276743824 1042066850 /nfs/dbraw/zinc/06/68/50/1042066850.db2.gz GFAUXNINAQKLSE-QGZVFWFLSA-N 1 2 352.356 2.611 20 30 FFEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cccc(C(F)(F)F)c2O)C1=O ZINC001276743824 1042066854 /nfs/dbraw/zinc/06/68/54/1042066854.db2.gz GFAUXNINAQKLSE-QGZVFWFLSA-N 1 2 352.356 2.611 20 30 FFEDLO C=CCn1cc(CNC(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)nn1 ZINC001263115045 1042111642 /nfs/dbraw/zinc/11/16/42/1042111642.db2.gz GZSDYLYLWYGFHE-HNNXBMFYSA-N 1 2 371.489 2.505 20 30 FFEDLO C=C(C)Cn1c(N(C)C[C@@H]2CC=CCC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001263285915 1042220868 /nfs/dbraw/zinc/22/08/68/1042220868.db2.gz QYOHHVKYWOPKAL-UWVAXJGDSA-N 1 2 359.518 2.558 20 30 FFEDLO C=C(C)Cn1c(N(C)C[C@@H]2CC=CCC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001263285915 1042220871 /nfs/dbraw/zinc/22/08/71/1042220871.db2.gz QYOHHVKYWOPKAL-UWVAXJGDSA-N 1 2 359.518 2.558 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C3CCCC3)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001263285897 1042221337 /nfs/dbraw/zinc/22/13/37/1042221337.db2.gz QTXQXFVTWYYMNB-WFXMLNOXSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(N2CC[C@H](C3CCCC3)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001263285897 1042221342 /nfs/dbraw/zinc/22/13/42/1042221342.db2.gz QTXQXFVTWYYMNB-WFXMLNOXSA-N 1 2 373.545 2.782 20 30 FFEDLO C=C(C)Cn1c(-c2ccco2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001263293341 1042225192 /nfs/dbraw/zinc/22/51/92/1042225192.db2.gz KOMHEHQVYCQVNW-UHFFFAOYSA-N 1 2 350.426 2.836 20 30 FFEDLO N#CC[C@@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2C[C@H]2CCCCO2)C1 ZINC001263585761 1042387539 /nfs/dbraw/zinc/38/75/39/1042387539.db2.gz YFHZWHZIJZHBKU-ZWKOTPCHSA-N 1 2 372.517 2.573 20 30 FFEDLO Cc1nonc1C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001263884093 1042506656 /nfs/dbraw/zinc/50/66/56/1042506656.db2.gz AXQJTAGWKODXIN-PKOBYXMFSA-N 1 2 366.465 2.512 20 30 FFEDLO Cc1nonc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001263884093 1042506660 /nfs/dbraw/zinc/50/66/60/1042506660.db2.gz AXQJTAGWKODXIN-PKOBYXMFSA-N 1 2 366.465 2.512 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H]2C[N@H+](Cc3cn(C(C)(C)C)nn3)CC[C@@H]2C1 ZINC001264086787 1042618783 /nfs/dbraw/zinc/61/87/83/1042618783.db2.gz UUBFJFRLXQGYAH-MSOLQXFVSA-N 1 2 371.529 2.507 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C(C)(C)C)nn3)CC[C@@H]2C1 ZINC001264086787 1042618785 /nfs/dbraw/zinc/61/87/85/1042618785.db2.gz UUBFJFRLXQGYAH-MSOLQXFVSA-N 1 2 371.529 2.507 20 30 FFEDLO C=CCOCC(=O)N[C@H]1CC[N@H+](Cc2nc(-c3ccco3)oc2C)[C@@H]1C ZINC001264136015 1042631251 /nfs/dbraw/zinc/63/12/51/1042631251.db2.gz ZODBMMXHQKGQBK-HIFRSBDPSA-N 1 2 359.426 2.525 20 30 FFEDLO C=CCOCC(=O)N[C@H]1CC[N@@H+](Cc2nc(-c3ccco3)oc2C)[C@@H]1C ZINC001264136015 1042631255 /nfs/dbraw/zinc/63/12/55/1042631255.db2.gz ZODBMMXHQKGQBK-HIFRSBDPSA-N 1 2 359.426 2.525 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(OC)cc2)[C@@H]1C ZINC001264144692 1042635834 /nfs/dbraw/zinc/63/58/34/1042635834.db2.gz RGWAFZOXCAKNJJ-QAPCUYQASA-N 1 2 359.470 2.569 20 30 FFEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(OC)cc2)[C@@H]1C ZINC001264144692 1042635839 /nfs/dbraw/zinc/63/58/39/1042635839.db2.gz RGWAFZOXCAKNJJ-QAPCUYQASA-N 1 2 359.470 2.569 20 30 FFEDLO Cc1noc([C@H](C)[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)C#CC(C)C)C2)n1 ZINC001264445723 1042673422 /nfs/dbraw/zinc/67/34/22/1042673422.db2.gz SGGRKZIMMKMELP-ZYSHUDEJSA-N 1 2 366.465 2.683 20 30 FFEDLO Cc1noc([C@H](C)[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)C#CC(C)C)C2)n1 ZINC001264445723 1042673425 /nfs/dbraw/zinc/67/34/25/1042673425.db2.gz SGGRKZIMMKMELP-ZYSHUDEJSA-N 1 2 366.465 2.683 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3noc(-c4ccoc4)n3)CC[C@@H]2C1 ZINC001264645157 1042766177 /nfs/dbraw/zinc/76/61/77/1042766177.db2.gz HUMSUPKMXHIDLM-WBVHZDCISA-N 1 2 370.453 2.966 20 30 FFEDLO C=C(C)CCC(=O)N1C[C@@H]2C[N@H+](Cc3noc(-c4ccoc4)n3)CC[C@@H]2C1 ZINC001264645157 1042766180 /nfs/dbraw/zinc/76/61/80/1042766180.db2.gz HUMSUPKMXHIDLM-WBVHZDCISA-N 1 2 370.453 2.966 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CC[N@H+](Cc2nc(-c3ccco3)no2)[C@@H]1C ZINC001264696824 1042784417 /nfs/dbraw/zinc/78/44/17/1042784417.db2.gz DUJVRMPTNLBORX-CABCVRRESA-N 1 2 356.426 2.602 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(-c3ccco3)no2)[C@@H]1C ZINC001264696824 1042784422 /nfs/dbraw/zinc/78/44/22/1042784422.db2.gz DUJVRMPTNLBORX-CABCVRRESA-N 1 2 356.426 2.602 20 30 FFEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](OC)c2cccc(OC)c2)[C@H]1C ZINC001264712829 1042794877 /nfs/dbraw/zinc/79/48/77/1042794877.db2.gz MWAAZNLKOVUVEG-XOKHGSTOSA-N 1 2 352.862 2.714 20 30 FFEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](OC)c2cccc(OC)c2)[C@H]1C ZINC001264712829 1042794879 /nfs/dbraw/zinc/79/48/79/1042794879.db2.gz MWAAZNLKOVUVEG-XOKHGSTOSA-N 1 2 352.862 2.714 20 30 FFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H]2OCCN(CCCC(F)(F)F)[C@H]2C1 ZINC001279233850 1042958129 /nfs/dbraw/zinc/95/81/29/1042958129.db2.gz WGUMAIGBIQEIEW-IRXDYDNUSA-N 1 2 353.388 2.786 20 30 FFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H]2OCCN(CCCC(F)(F)F)[C@H]2C1 ZINC001279233850 1042958134 /nfs/dbraw/zinc/95/81/34/1042958134.db2.gz WGUMAIGBIQEIEW-IRXDYDNUSA-N 1 2 353.388 2.786 20 30 FFEDLO COc1cc(C#N)ccc1CN1CC2(CC[N@@H+]2Cc2scnc2C)C1 ZINC001279296555 1042988556 /nfs/dbraw/zinc/98/85/56/1042988556.db2.gz AUJKQQQFIDXOOG-UHFFFAOYSA-N 1 2 354.479 2.792 20 30 FFEDLO COc1cc(C#N)ccc1CN1CC2(CC[N@H+]2Cc2scnc2C)C1 ZINC001279296555 1042988559 /nfs/dbraw/zinc/98/85/59/1042988559.db2.gz AUJKQQQFIDXOOG-UHFFFAOYSA-N 1 2 354.479 2.792 20 30 FFEDLO C#Cc1cccc(C[N@@H+]2C[C@H]3CN(Cc4scnc4C)C[C@@H](C2)O3)c1 ZINC001279301400 1042991066 /nfs/dbraw/zinc/99/10/66/1042991066.db2.gz FUZOAROSWNDQRN-KDURUIRLSA-N 1 2 353.491 2.518 20 30 FFEDLO C#Cc1cccc(C[N@H+]2C[C@H]3CN(Cc4scnc4C)C[C@@H](C2)O3)c1 ZINC001279301400 1042991067 /nfs/dbraw/zinc/99/10/67/1042991067.db2.gz FUZOAROSWNDQRN-KDURUIRLSA-N 1 2 353.491 2.518 20 30 FFEDLO Cc1cnc(F)c(C[N@H+]2CC[C@H]3[C@@H]2CCN3Cc2cc(C#N)n(C)c2)c1 ZINC001279357088 1043024386 /nfs/dbraw/zinc/02/43/86/1043024386.db2.gz GNATUHRDJOOCRH-OALUTQOASA-N 1 2 353.445 2.588 20 30 FFEDLO Cc1cnc(F)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cc(C#N)n(C)c2)c1 ZINC001279357088 1043024392 /nfs/dbraw/zinc/02/43/92/1043024392.db2.gz GNATUHRDJOOCRH-OALUTQOASA-N 1 2 353.445 2.588 20 30 FFEDLO CCCCCCC/C=C/C[N@H+]1C[C@H]2CN(COCCOC)C[C@@H](C1)O2 ZINC001279481880 1043166643 /nfs/dbraw/zinc/16/66/43/1043166643.db2.gz RYMARWHHJKYCES-COJYZCGHSA-N 1 2 354.535 2.909 20 30 FFEDLO CCCCCCC/C=C/C[N@@H+]1C[C@H]2CN(COCCOC)C[C@@H](C1)O2 ZINC001279481880 1043166649 /nfs/dbraw/zinc/16/66/49/1043166649.db2.gz RYMARWHHJKYCES-COJYZCGHSA-N 1 2 354.535 2.909 20 30 FFEDLO Cc1ncsc1CN1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3C)C[C@H](C1)O2 ZINC001279697338 1043487304 /nfs/dbraw/zinc/48/73/04/1043487304.db2.gz VHINYXALTXUNRH-KDURUIRLSA-N 1 2 368.506 2.717 20 30 FFEDLO Cc1ncsc1CN1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3C)C[C@H](C1)O2 ZINC001279697338 1043487309 /nfs/dbraw/zinc/48/73/09/1043487309.db2.gz VHINYXALTXUNRH-KDURUIRLSA-N 1 2 368.506 2.717 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2nc(C4CC4)cs2)C3)cc1C#N ZINC001279744631 1043575513 /nfs/dbraw/zinc/57/55/13/1043575513.db2.gz VETYLIKOEYOIHQ-QAPCUYQASA-N 1 2 367.522 2.937 20 30 FFEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2nc(C4CC4)cs2)C3)cc1C#N ZINC001279744631 1043575523 /nfs/dbraw/zinc/57/55/23/1043575523.db2.gz VETYLIKOEYOIHQ-QAPCUYQASA-N 1 2 367.522 2.937 20 30 FFEDLO Cc1cc(C[N@H+]2CCCC3(CN(Cc4cc(C#N)n(C)c4)C3)C2)ns1 ZINC001279750721 1043583936 /nfs/dbraw/zinc/58/39/36/1043583936.db2.gz DSXGMAWUTXDVPM-UHFFFAOYSA-N 1 2 355.511 2.760 20 30 FFEDLO Cc1cc(C[N@@H+]2CCCC3(CN(Cc4cc(C#N)n(C)c4)C3)C2)ns1 ZINC001279750721 1043583944 /nfs/dbraw/zinc/58/39/44/1043583944.db2.gz DSXGMAWUTXDVPM-UHFFFAOYSA-N 1 2 355.511 2.760 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238195944 1043602397 /nfs/dbraw/zinc/60/23/97/1043602397.db2.gz NFWREQSGTVOUPX-LSDHHAIUSA-N 1 2 365.861 2.672 20 30 FFEDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238195944 1043602402 /nfs/dbraw/zinc/60/24/02/1043602402.db2.gz NFWREQSGTVOUPX-LSDHHAIUSA-N 1 2 365.861 2.672 20 30 FFEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccc(C#N)c(OC)c1)CCC2 ZINC001238405985 1043688595 /nfs/dbraw/zinc/68/85/95/1043688595.db2.gz LJXFJVFJHQFLPE-UHFFFAOYSA-N 1 2 352.438 2.872 20 30 FFEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccc(C#N)c(OC)c1)CCC2 ZINC001238405985 1043688602 /nfs/dbraw/zinc/68/86/02/1043688602.db2.gz LJXFJVFJHQFLPE-UHFFFAOYSA-N 1 2 352.438 2.872 20 30 FFEDLO C=CCCCCCC[N@@H+]1Cc2ccnn2CC[C@@H]1C(=O)Nc1cn[nH]c1 ZINC001279827934 1043727695 /nfs/dbraw/zinc/72/76/95/1043727695.db2.gz IMUKDBFTOHTEID-GOSISDBHSA-N 1 2 356.474 2.956 20 30 FFEDLO C=CCCCCCC[N@H+]1Cc2ccnn2CC[C@@H]1C(=O)Nc1cn[nH]c1 ZINC001279827934 1043727706 /nfs/dbraw/zinc/72/77/06/1043727706.db2.gz IMUKDBFTOHTEID-GOSISDBHSA-N 1 2 356.474 2.956 20 30 FFEDLO C=CCCCCC[N@H+]1CCc2c([nH]nc2C(=O)N[C@@H](C)c2ncc[nH]2)C1 ZINC001279830377 1043735432 /nfs/dbraw/zinc/73/54/32/1043735432.db2.gz ZBNNRVFLTUBLAY-AWEZNQCLSA-N 1 2 356.474 2.728 20 30 FFEDLO C=CCCCCC[N@@H+]1CCc2c([nH]nc2C(=O)N[C@@H](C)c2ncc[nH]2)C1 ZINC001279830377 1043735449 /nfs/dbraw/zinc/73/54/49/1043735449.db2.gz ZBNNRVFLTUBLAY-AWEZNQCLSA-N 1 2 356.474 2.728 20 30 FFEDLO N#Cc1cccc(Cl)c1CN1C[C@@H]2C[N@@H+](Cc3ccc[nH]3)C[C@H](C1)O2 ZINC001278314879 1044370046 /nfs/dbraw/zinc/37/00/46/1044370046.db2.gz RJKPEGNSCRKJLT-CALCHBBNSA-N 1 2 356.857 2.625 20 30 FFEDLO N#Cc1cccc(Cl)c1CN1C[C@@H]2C[N@H+](Cc3ccc[nH]3)C[C@H](C1)O2 ZINC001278314879 1044370057 /nfs/dbraw/zinc/37/00/57/1044370057.db2.gz RJKPEGNSCRKJLT-CALCHBBNSA-N 1 2 356.857 2.625 20 30 FFEDLO Cn1cc(C[NH+]2CC3(CN(Cc4c(Cl)cccc4C#N)C3)C2)cc1C#N ZINC001278315590 1044384324 /nfs/dbraw/zinc/38/43/24/1044384324.db2.gz WOBXGJWZEAIYQJ-UHFFFAOYSA-N 1 2 365.868 2.740 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3ccc(CC#N)c(F)c3)cn2)CC1 ZINC001241559558 1044546685 /nfs/dbraw/zinc/54/66/85/1044546685.db2.gz BBINCIXAOXXKOS-UHFFFAOYSA-N 1 2 353.445 2.613 20 30 FFEDLO CN1CC[NH+](CCNc2ccc(-c3cc(CC#N)ccc3F)cn2)CC1 ZINC001241565451 1044547733 /nfs/dbraw/zinc/54/77/33/1044547733.db2.gz JZOUZVKCOXRIIE-UHFFFAOYSA-N 1 2 353.445 2.613 20 30 FFEDLO COc1c(Cl)cccc1C[N@@H+]1CC[C@H]2C[C@]21C(=O)N1CC(CC#N)C1 ZINC001280298569 1044566077 /nfs/dbraw/zinc/56/60/77/1044566077.db2.gz YODVCGJLKICSCA-HNAYVOBHSA-N 1 2 359.857 2.685 20 30 FFEDLO COc1c(Cl)cccc1C[N@H+]1CC[C@H]2C[C@]21C(=O)N1CC(CC#N)C1 ZINC001280298569 1044566093 /nfs/dbraw/zinc/56/60/93/1044566093.db2.gz YODVCGJLKICSCA-HNAYVOBHSA-N 1 2 359.857 2.685 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(F)cc2)[C@@H]1C ZINC001316788042 1044972593 /nfs/dbraw/zinc/97/25/93/1044972593.db2.gz NLXJINUZOVZVQA-PBHICJAKSA-N 1 2 361.461 2.946 20 30 FFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(F)cc2)[C@@H]1C ZINC001316788042 1044972609 /nfs/dbraw/zinc/97/26/09/1044972609.db2.gz NLXJINUZOVZVQA-PBHICJAKSA-N 1 2 361.461 2.946 20 30 FFEDLO C#CCN(CC)c1nnc(C)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001539344652 1070616508 /nfs/dbraw/zinc/61/65/08/1070616508.db2.gz FTYWWUKRQQZWLF-UHFFFAOYSA-N 1 2 352.486 2.870 20 30 FFEDLO C#CCN(CC)c1nnc(C(C)(C)C)n1CCc1cn2ccccc2[nH+]1 ZINC001539340954 1070616526 /nfs/dbraw/zinc/61/65/26/1070616526.db2.gz WGLMUSHIROMEQJ-UHFFFAOYSA-N 1 2 350.470 2.926 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC)n2Cc2oc3ccccc3c2C)CC1 ZINC001539452363 1070640483 /nfs/dbraw/zinc/64/04/83/1070640483.db2.gz QFDDDSBRAZAJBC-UHFFFAOYSA-N 1 2 363.465 2.699 20 30 FFEDLO C#CC(C)(C)NC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001321130417 1045557468 /nfs/dbraw/zinc/55/74/68/1045557468.db2.gz KYVWBFDYVLDPLX-UHFFFAOYSA-N 1 2 373.497 2.541 20 30 FFEDLO C#CC(C)(C)NC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001321130417 1045557475 /nfs/dbraw/zinc/55/74/75/1045557475.db2.gz KYVWBFDYVLDPLX-UHFFFAOYSA-N 1 2 373.497 2.541 20 30 FFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001282732673 1046140461 /nfs/dbraw/zinc/14/04/61/1046140461.db2.gz UERCFCISZJWXEJ-WTTBNOFXSA-N 1 2 370.497 2.680 20 30 FFEDLO C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001282752442 1046155046 /nfs/dbraw/zinc/15/50/46/1046155046.db2.gz NAMOMQSUQRDTBA-ZJPYXAASSA-N 1 2 372.513 2.931 20 30 FFEDLO C#CCCCCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001282813299 1046247182 /nfs/dbraw/zinc/24/71/82/1046247182.db2.gz JUSJQALNCAQHNF-LQWHRVPQSA-N 1 2 370.497 2.525 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 ZINC001286470070 1047119211 /nfs/dbraw/zinc/11/92/11/1047119211.db2.gz RYYWWXKBAOBANE-LAUBAEHRSA-N 1 2 373.545 2.679 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2Cc2ccc(OCC)cc2)CC1 ZINC001286469817 1047119230 /nfs/dbraw/zinc/11/92/30/1047119230.db2.gz LWZVQOBWIVVMJZ-UHFFFAOYSA-N 1 2 367.497 2.604 20 30 FFEDLO C=C[C@H](COC)NC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC001327030479 1047166600 /nfs/dbraw/zinc/16/66/00/1047166600.db2.gz BLZRDCAGASHUNL-FUHWJXTLSA-N 1 2 361.486 2.502 20 30 FFEDLO C=C[C@H](COC)NC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC001327030479 1047166605 /nfs/dbraw/zinc/16/66/05/1047166605.db2.gz BLZRDCAGASHUNL-FUHWJXTLSA-N 1 2 361.486 2.502 20 30 FFEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]N[C@@H]1CC(C)(C)OC1(C)C ZINC001331365539 1047892962 /nfs/dbraw/zinc/89/29/62/1047892962.db2.gz WTNDTZLUHPSEHR-MRXNPFEDSA-N 1 2 367.453 2.754 20 30 FFEDLO C[C@@](O)(C[NH+]1CCC(C(=O)C(F)(F)F)CC1)C(F)(F)C(F)(F)F ZINC001334094108 1049244438 /nfs/dbraw/zinc/24/44/38/1049244438.db2.gz UHGHASBJCMJESQ-SECBINFHSA-N 1 2 357.241 2.778 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC001339777539 1050197210 /nfs/dbraw/zinc/19/72/10/1050197210.db2.gz RBMNRFPXNLBAIC-ZWKOTPCHSA-N 1 2 367.501 2.686 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001340194549 1050602693 /nfs/dbraw/zinc/60/26/93/1050602693.db2.gz BWJPLDSDHHISDB-MLHJIOFPSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001340194549 1050602699 /nfs/dbraw/zinc/60/26/99/1050602699.db2.gz BWJPLDSDHHISDB-MLHJIOFPSA-N 1 2 359.518 2.872 20 30 FFEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)Cc1ccoc1 ZINC001342013325 1050610872 /nfs/dbraw/zinc/61/08/72/1050610872.db2.gz YLXDSVBRJNGOAN-SJORKVTESA-N 1 2 357.458 2.619 20 30 FFEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)Cc1ccoc1 ZINC001342013325 1050610879 /nfs/dbraw/zinc/61/08/79/1050610879.db2.gz YLXDSVBRJNGOAN-SJORKVTESA-N 1 2 357.458 2.619 20 30 FFEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001340315433 1050713425 /nfs/dbraw/zinc/71/34/25/1050713425.db2.gz CIQQCSADRGZRMS-ZSYWTGECSA-N 1 2 369.513 2.792 20 30 FFEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001340315433 1050713439 /nfs/dbraw/zinc/71/34/39/1050713439.db2.gz CIQQCSADRGZRMS-ZSYWTGECSA-N 1 2 369.513 2.792 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@@H](C/C=C\C)C1 ZINC001342149576 1050742639 /nfs/dbraw/zinc/74/26/39/1050742639.db2.gz HYWFXXMKCPNYHL-LKIHTYOGSA-N 1 2 373.545 2.851 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1ncc(Cl)n1C ZINC001340389534 1050781993 /nfs/dbraw/zinc/78/19/93/1050781993.db2.gz GXLQAZWAUMWTDO-CYBMUJFWSA-N 1 2 363.897 2.644 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)Cc1ncc(Cl)n1C ZINC001340389534 1050782007 /nfs/dbraw/zinc/78/20/07/1050782007.db2.gz GXLQAZWAUMWTDO-CYBMUJFWSA-N 1 2 363.897 2.644 20 30 FFEDLO C=C(C)Cn1c([C@@H](C)SC)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001342217444 1050807922 /nfs/dbraw/zinc/80/79/22/1050807922.db2.gz NQKXTFZPOOFJBH-MRXNPFEDSA-N 1 2 372.542 2.995 20 30 FFEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(CC1CC1)CC1CCC1 ZINC001340450735 1050844157 /nfs/dbraw/zinc/84/41/57/1050844157.db2.gz SHPHHSONAMDKGN-UHFFFAOYSA-N 1 2 373.545 2.685 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCSC(C)(C)C1 ZINC001342305757 1050901653 /nfs/dbraw/zinc/90/16/53/1050901653.db2.gz FSDJNVHKKOUTSG-UHFFFAOYSA-N 1 2 374.558 2.889 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CC1=CCSC1 ZINC001342306954 1050902382 /nfs/dbraw/zinc/90/23/82/1050902382.db2.gz VSYRVHLBNBKAMK-UHFFFAOYSA-N 1 2 372.542 2.667 20 30 FFEDLO C=C(C)Cn1c([C@H](Cc2c[nH]c[nH+]2)NC(C)=O)nnc1N(C)[C@H](C)CCC ZINC001342318650 1050913737 /nfs/dbraw/zinc/91/37/37/1050913737.db2.gz UTABJNYDEROPPW-PBHICJAKSA-N 1 2 373.505 2.622 20 30 FFEDLO C=C(C)Cn1c([C@H](Cc2c[nH+]c[nH]2)NC(C)=O)nnc1N(C)[C@H](C)CCC ZINC001342318650 1050913749 /nfs/dbraw/zinc/91/37/49/1050913749.db2.gz UTABJNYDEROPPW-PBHICJAKSA-N 1 2 373.505 2.622 20 30 FFEDLO C=CCn1c(N2CCC(CC(C)C)CC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001342384862 1050978926 /nfs/dbraw/zinc/97/89/26/1050978926.db2.gz LXECLQLSZKZNPF-PXNSSMCTSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCn1c(N2CCC(CC(C)C)CC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001342384862 1050978930 /nfs/dbraw/zinc/97/89/30/1050978930.db2.gz LXECLQLSZKZNPF-PXNSSMCTSA-N 1 2 361.534 2.638 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc([C@]2(C)C[C@H](O)C[N@H+]2C)n1CC=C ZINC001342386233 1050980506 /nfs/dbraw/zinc/98/05/06/1050980506.db2.gz TXPUPERZYXMYRC-KXBFYZLASA-N 1 2 373.526 2.630 20 30 FFEDLO C=CCN(Cc1cccs1)c1nnc([C@]2(C)C[C@H](O)C[N@@H+]2C)n1CC=C ZINC001342386233 1050980515 /nfs/dbraw/zinc/98/05/15/1050980515.db2.gz TXPUPERZYXMYRC-KXBFYZLASA-N 1 2 373.526 2.630 20 30 FFEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001342541713 1051144335 /nfs/dbraw/zinc/14/43/35/1051144335.db2.gz LJJDKKYERBZEHX-UHFFFAOYSA-N 1 2 358.490 2.572 20 30 FFEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001340911048 1051238451 /nfs/dbraw/zinc/23/84/51/1051238451.db2.gz OKBHTHYNCGMRMV-GASCZTMLSA-N 1 2 362.547 2.721 20 30 FFEDLO C=C(C)Cn1c(-c2ccc(C[NH+]3CCOCC3)cn2)nnc1N(C)CCC ZINC001342964938 1051578894 /nfs/dbraw/zinc/57/88/94/1051578894.db2.gz GKSYUPAMWVUSBD-UHFFFAOYSA-N 1 2 370.501 2.595 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc(Cc2[nH+]ccn2C)n1C[C@H]1CCCO1 ZINC001343135815 1051756426 /nfs/dbraw/zinc/75/64/26/1051756426.db2.gz CABVWAXEBDAXBS-IAGOWNOFSA-N 1 2 370.501 2.716 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3coc(=O)c4ccccc34)CC2)cc1 ZINC001306217750 1052069899 /nfs/dbraw/zinc/06/98/99/1052069899.db2.gz YHJFZNPYHMOVKE-UHFFFAOYSA-N 1 2 373.412 2.623 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2ccc(F)cc2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001343286198 1052135590 /nfs/dbraw/zinc/13/55/90/1052135590.db2.gz FLPMAEQEQAWVQX-FXAWDEMLSA-N 1 2 373.476 2.541 20 30 FFEDLO C=C(C)Cn1c(N(C)Cc2ccc(F)cc2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001343286198 1052135593 /nfs/dbraw/zinc/13/55/93/1052135593.db2.gz FLPMAEQEQAWVQX-FXAWDEMLSA-N 1 2 373.476 2.541 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC(c2ccon2)CC1 ZINC001343416902 1052218041 /nfs/dbraw/zinc/21/80/41/1052218041.db2.gz OBQHVNHDTFQWMW-UHFFFAOYSA-N 1 2 356.474 2.822 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)C[C@](C)(O)c1ccccc1 ZINC001343456989 1052244481 /nfs/dbraw/zinc/24/44/81/1052244481.db2.gz KQKNGQFPCHUNDW-RXVVDRJESA-N 1 2 369.513 2.965 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)C[C@](C)(O)c1ccccc1 ZINC001343456989 1052244489 /nfs/dbraw/zinc/24/44/89/1052244489.db2.gz KQKNGQFPCHUNDW-RXVVDRJESA-N 1 2 369.513 2.965 20 30 FFEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)C[C@H](C)C#N ZINC001343460751 1052246140 /nfs/dbraw/zinc/24/61/40/1052246140.db2.gz YXYTYZIRSCAITE-MRXNPFEDSA-N 1 2 355.490 2.543 20 30 FFEDLO C=CCC[C@@H]1CCCN1c1nnc(Cc2[nH+]ccn2C)n1C[C@@H]1CCOC1 ZINC001345427593 1052440455 /nfs/dbraw/zinc/44/04/55/1052440455.db2.gz NYHHNXUAJKKCCD-DLBZAZTESA-N 1 2 370.501 2.574 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)C1(CF)CCC1 ZINC001345548458 1052502646 /nfs/dbraw/zinc/50/26/46/1052502646.db2.gz URLNFQQBCYQDSN-UHFFFAOYSA-N 1 2 351.443 2.615 20 30 FFEDLO N#CCC1CCN(c2nnc(C[NH+]3CCCCC3)n2C[C@H]2CCCO2)CC1 ZINC001344118394 1052607480 /nfs/dbraw/zinc/60/74/80/1052607480.db2.gz NDTABOYSBYVQIA-GOSISDBHSA-N 1 2 372.517 2.573 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001346148248 1052768781 /nfs/dbraw/zinc/76/87/81/1052768781.db2.gz MWQDZORZIHOZDF-HLLBOEOZSA-N 1 2 368.481 2.990 20 30 FFEDLO CCCN(CC)c1nnc(C2CC[NH+](CCC#N)CC2)n1C[C@@H]1CCCO1 ZINC001344597379 1052853121 /nfs/dbraw/zinc/85/31/21/1052853121.db2.gz URUVCIJOMMPYJH-SFHVURJKSA-N 1 2 374.533 2.786 20 30 FFEDLO C[C@@H]1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)C[C@H]1F ZINC001346601685 1053145659 /nfs/dbraw/zinc/14/56/59/1053145659.db2.gz GVUKYEFJHTUHCG-CRAIPNDOSA-N 1 2 374.508 2.965 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)[C@H]1CCC(F)(F)C1 ZINC001346719995 1053255900 /nfs/dbraw/zinc/25/59/00/1053255900.db2.gz JTMRIGOCGDEOSW-HNNXBMFYSA-N 1 2 369.433 2.910 20 30 FFEDLO CN(C)c1[nH+]ccc2c1CN(c1ncc(C#N)cc1Br)CC2 ZINC001336833372 1054267856 /nfs/dbraw/zinc/26/78/56/1054267856.db2.gz JFFGOFCMOHNWHQ-UHFFFAOYSA-N 1 2 358.243 2.739 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@H](OC)CC[C@@H]1C ZINC001351950071 1055082290 /nfs/dbraw/zinc/08/22/90/1055082290.db2.gz VOCLKRXYMMYOLU-FUHWJXTLSA-N 1 2 372.517 2.561 20 30 FFEDLO C=CCn1c([C@H](C)C2CCC2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001351981154 1055098412 /nfs/dbraw/zinc/09/84/12/1055098412.db2.gz LSBMVKOUZKVIIS-MRXNPFEDSA-N 1 2 370.501 2.986 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1Nc1cnn(C2CCCC2)c1 ZINC001352094203 1055187001 /nfs/dbraw/zinc/18/70/01/1055187001.db2.gz VEZQWVQVFSHGNG-UHFFFAOYSA-N 1 2 352.446 2.844 20 30 FFEDLO C=CCn1c([C@@H](C)C(C)(C)O)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001356026946 1055226566 /nfs/dbraw/zinc/22/65/66/1055226566.db2.gz BTOIHHRTPKYGPH-OAHLLOKOSA-N 1 2 370.501 2.814 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCn2nc(C3CC3)cc2C1 ZINC001356211285 1055389147 /nfs/dbraw/zinc/38/91/47/1055389147.db2.gz ZHUSJHJAHOKRQQ-SFHVURJKSA-N 1 2 367.501 2.715 20 30 FFEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCn2nc(C3CC3)cc2C1 ZINC001356211285 1055389159 /nfs/dbraw/zinc/38/91/59/1055389159.db2.gz ZHUSJHJAHOKRQQ-SFHVURJKSA-N 1 2 367.501 2.715 20 30 FFEDLO C=CC[C@@H]1CCCN(c2nnc(Cc3[nH+]ccn3C)n2CCCOCC)C1 ZINC001357475004 1055917954 /nfs/dbraw/zinc/91/79/54/1055917954.db2.gz YNCGMAASBHJNMZ-QGZVFWFLSA-N 1 2 372.517 2.822 20 30 FFEDLO CC(C)CCO[C@@H]1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2C)C1 ZINC001338926154 1055938625 /nfs/dbraw/zinc/93/86/25/1055938625.db2.gz XGYLLRAULUCRGS-GOSISDBHSA-N 1 2 374.533 2.550 20 30 FFEDLO Cc1cc(C)c(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c(C)[nH+]1 ZINC001357646327 1055972754 /nfs/dbraw/zinc/97/27/54/1055972754.db2.gz TZCAYZINXYEVNO-UHFFFAOYSA-N 1 2 352.413 2.980 20 30 FFEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H](CC#N)C1 ZINC001338994453 1055997963 /nfs/dbraw/zinc/99/79/63/1055997963.db2.gz CRJYPUUYMNHNHN-QGZVFWFLSA-N 1 2 367.501 2.687 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2c2cccs2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001339067814 1056063320 /nfs/dbraw/zinc/06/33/20/1056063320.db2.gz DNVIGBBCSVIPFK-KHYOSLBOSA-N 1 2 373.526 2.779 20 30 FFEDLO C=CCn1c(N2CCC[C@@H]2c2cccs2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339067814 1056063329 /nfs/dbraw/zinc/06/33/29/1056063329.db2.gz DNVIGBBCSVIPFK-KHYOSLBOSA-N 1 2 373.526 2.779 20 30 FFEDLO C=CCN(Cc1cccc(C#N)c1)c1nnc(C[NH+]2CCCCC2)n1C ZINC001339187380 1056180009 /nfs/dbraw/zinc/18/00/09/1056180009.db2.gz JASZZBUSKUTMOG-UHFFFAOYSA-N 1 2 350.470 2.865 20 30 FFEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1ccc(OC)c(C)c1 ZINC001339209568 1056205744 /nfs/dbraw/zinc/20/57/44/1056205744.db2.gz BGFYJYSRXXTNLO-UHFFFAOYSA-N 1 2 366.469 2.742 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H]1Cc1ccnn1C ZINC001339542455 1056565258 /nfs/dbraw/zinc/56/52/58/1056565258.db2.gz UAFHYLHNQQUBES-ZWKOTPCHSA-N 1 2 369.517 2.566 20 30 FFEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H]1Cc1ccnn1C ZINC001339542455 1056565273 /nfs/dbraw/zinc/56/52/73/1056565273.db2.gz UAFHYLHNQQUBES-ZWKOTPCHSA-N 1 2 369.517 2.566 20 30 FFEDLO C#C[C@@H](C)N(C)c1nnc(CC2CC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001358894457 1056587237 /nfs/dbraw/zinc/58/72/37/1056587237.db2.gz PCKZISIOEPJMLO-MRXNPFEDSA-N 1 2 360.465 2.923 20 30 FFEDLO C#CCN(CC#CC)c1nnc(CC(C)C)n1CCCNc1cccc[nH+]1 ZINC001358995104 1056637632 /nfs/dbraw/zinc/63/76/32/1056637632.db2.gz FMTVNJHFOHRHRN-UHFFFAOYSA-N 1 2 364.497 2.837 20 30 FFEDLO C#CCN(CC#CC)c1nnc(C2CC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001358992680 1056637725 /nfs/dbraw/zinc/63/77/25/1056637725.db2.gz SMIKPFYRWCGJRB-UHFFFAOYSA-N 1 2 370.460 2.852 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2Cc2cnc(C)s2)CC1 ZINC001359035071 1056667137 /nfs/dbraw/zinc/66/71/37/1056667137.db2.gz KDWTZJKYNDRVFG-UHFFFAOYSA-N 1 2 370.526 2.504 20 30 FFEDLO Nc1cc(N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)[nH+]cn1 ZINC001354278234 1058803312 /nfs/dbraw/zinc/80/33/12/1058803312.db2.gz JDAOSOIXRYKYIJ-WDSKDSINSA-N 1 2 362.224 2.666 20 30 FFEDLO C=CCOCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C)O2 ZINC001502434484 1058859132 /nfs/dbraw/zinc/85/91/32/1058859132.db2.gz YPJJHUCFTOGMFK-OKZBNKHCSA-N 1 2 364.530 2.611 20 30 FFEDLO C=CCOCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C)O2 ZINC001502434485 1058859183 /nfs/dbraw/zinc/85/91/83/1058859183.db2.gz YPJJHUCFTOGMFK-RCCFBDPRSA-N 1 2 364.530 2.611 20 30 FFEDLO C=C(C)Cn1c(N2CCCCCCCC2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001515003484 1059210147 /nfs/dbraw/zinc/21/01/47/1059210147.db2.gz MMCGFPBYMGSOBV-XLIONFOSSA-N 1 2 361.534 2.926 20 30 FFEDLO C=C(C)Cn1c(N2CCCCCCCC2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001515003484 1059210168 /nfs/dbraw/zinc/21/01/68/1059210168.db2.gz MMCGFPBYMGSOBV-XLIONFOSSA-N 1 2 361.534 2.926 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001515119827 1059353583 /nfs/dbraw/zinc/35/35/83/1059353583.db2.gz JWRYLVVCLRYPGL-ZJIFWQFVSA-N 1 2 358.486 2.517 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001515119827 1059353604 /nfs/dbraw/zinc/35/36/04/1059353604.db2.gz JWRYLVVCLRYPGL-ZJIFWQFVSA-N 1 2 358.486 2.517 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2CC2CC(F)(F)C2)CC1 ZINC001300692568 1059363475 /nfs/dbraw/zinc/36/34/75/1059363475.db2.gz JGYBBGBJRDGYTC-UHFFFAOYSA-N 1 2 371.435 2.746 20 30 FFEDLO C=C(C)CCC(=O)NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCC1 ZINC001506373061 1059483872 /nfs/dbraw/zinc/48/38/72/1059483872.db2.gz FXDBSCPTFDYOBU-BRWVUGGUSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C(C)CCC(=O)NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCC1 ZINC001506373061 1059483875 /nfs/dbraw/zinc/48/38/75/1059483875.db2.gz FXDBSCPTFDYOBU-BRWVUGGUSA-N 1 2 358.486 2.661 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCN(c2ccccc2)CC1 ZINC001515295573 1059511069 /nfs/dbraw/zinc/51/10/69/1059511069.db2.gz KAZAOHPOILXLJE-LJQANCHMSA-N 1 2 366.513 2.948 20 30 FFEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCN(c2ccccc2)CC1 ZINC001515295573 1059511091 /nfs/dbraw/zinc/51/10/91/1059511091.db2.gz KAZAOHPOILXLJE-LJQANCHMSA-N 1 2 366.513 2.948 20 30 FFEDLO O=C(OCC#Cc1csc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@H]1c1ccco1 ZINC001520424618 1059675048 /nfs/dbraw/zinc/67/50/48/1059675048.db2.gz AICFJSJXONTAFC-QZTJIDSGSA-N 1 2 371.458 2.872 20 30 FFEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@H](C(C)C)C1 ZINC001515556876 1059698603 /nfs/dbraw/zinc/69/86/03/1059698603.db2.gz WYEDHJZRLOZRHV-SFHVURJKSA-N 1 2 361.534 2.541 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 ZINC001507720942 1059699355 /nfs/dbraw/zinc/69/93/55/1059699355.db2.gz HCECAVIOPKURJV-GUDVDZBRSA-N 1 2 371.529 2.528 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2CC(C)(C)CCOC)CC1 ZINC001507731407 1059702939 /nfs/dbraw/zinc/70/29/39/1059702939.db2.gz HNBBRGZKBWRRSR-UHFFFAOYSA-N 1 2 373.545 2.754 20 30 FFEDLO C#CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nccs1 ZINC001515867178 1059853262 /nfs/dbraw/zinc/85/32/62/1059853262.db2.gz YZWFEYITKQMPPO-UHFFFAOYSA-N 1 2 353.363 2.517 20 30 FFEDLO CC(=NNCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000848418012 1059974115 /nfs/dbraw/zinc/97/41/15/1059974115.db2.gz IEZCAKADFNOJLS-UHFFFAOYSA-N 1 2 360.374 2.720 20 30 FFEDLO Cn1c(N2CC[NH+](Cc3ccccc3Cl)CC2)nnc1C(C)(C)C#N ZINC001355334537 1060141728 /nfs/dbraw/zinc/14/17/28/1060141728.db2.gz PWXZXRGEWLJXPF-UHFFFAOYSA-N 1 2 358.877 2.592 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc(C[N@@H+]2CCC[C@@H](O)C2)n1CC ZINC001521000062 1060290685 /nfs/dbraw/zinc/29/06/85/1060290685.db2.gz KMQGNAPTFOVMJI-QGZVFWFLSA-N 1 2 373.476 2.586 20 30 FFEDLO C=CCN(Cc1ccccc1F)c1nnc(C[N@H+]2CCC[C@@H](O)C2)n1CC ZINC001521000062 1060290699 /nfs/dbraw/zinc/29/06/99/1060290699.db2.gz KMQGNAPTFOVMJI-QGZVFWFLSA-N 1 2 373.476 2.586 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@@H]1c1cccs1 ZINC001355920096 1060727999 /nfs/dbraw/zinc/72/79/99/1060727999.db2.gz NBDXDAKMCMIRLE-KFWWJZLASA-N 1 2 359.499 2.605 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H]1c1cccs1 ZINC001355920096 1060728009 /nfs/dbraw/zinc/72/80/09/1060728009.db2.gz NBDXDAKMCMIRLE-KFWWJZLASA-N 1 2 359.499 2.605 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)Cc1ccc(C(C)C)cc1 ZINC001355920903 1060728718 /nfs/dbraw/zinc/72/87/18/1060728718.db2.gz YFNRSRUIVTWXTM-RTBURBONSA-N 1 2 369.513 2.961 20 30 FFEDLO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)Cc1ccc(C(C)C)cc1 ZINC001355920903 1060728730 /nfs/dbraw/zinc/72/87/30/1060728730.db2.gz YFNRSRUIVTWXTM-RTBURBONSA-N 1 2 369.513 2.961 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)C/C(C)=C/c1ccccc1 ZINC001355921007 1060729945 /nfs/dbraw/zinc/72/99/45/1060729945.db2.gz ZPMQGQVFIZYQSN-VTEWUSFYSA-N 1 2 367.497 2.741 20 30 FFEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)C/C(C)=C/c1ccccc1 ZINC001355921007 1060729956 /nfs/dbraw/zinc/72/99/56/1060729956.db2.gz ZPMQGQVFIZYQSN-VTEWUSFYSA-N 1 2 367.497 2.741 20 30 FFEDLO C=C(C)Cn1c(N(CCC#N)CCC(C)C)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001355958841 1060765197 /nfs/dbraw/zinc/76/51/97/1060765197.db2.gz UOTNXJCWVQMMTJ-XLIONFOSSA-N 1 2 374.533 2.532 20 30 FFEDLO C=C(C)Cn1c(N(CCC#N)CCC(C)C)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001355958841 1060765213 /nfs/dbraw/zinc/76/52/13/1060765213.db2.gz UOTNXJCWVQMMTJ-XLIONFOSSA-N 1 2 374.533 2.532 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](C)Cc2cc3ccccc3[nH]2)c1 ZINC001459619178 1060782496 /nfs/dbraw/zinc/78/24/96/1060782496.db2.gz FMWFCHDDVSPJNC-UHFFFAOYSA-N 1 2 360.417 2.929 20 30 FFEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@H+](C)Cc2cc3ccccc3[nH]2)c1 ZINC001459619178 1060782506 /nfs/dbraw/zinc/78/25/06/1060782506.db2.gz FMWFCHDDVSPJNC-UHFFFAOYSA-N 1 2 360.417 2.929 20 30 FFEDLO COc1cc(OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)ccc1C#N ZINC001459684940 1060793692 /nfs/dbraw/zinc/79/36/92/1060793692.db2.gz IXLQBORWHWDAIA-UHFFFAOYSA-N 1 2 364.317 2.880 20 30 FFEDLO COc1cccc([C@@H](C#N)NC(=O)c2ccn3c(C)c[nH+]c3c2)c1OC ZINC001521591076 1060994801 /nfs/dbraw/zinc/99/48/01/1060994801.db2.gz XKLCXTKJYMCOML-OAHLLOKOSA-N 1 2 350.378 2.655 20 30 FFEDLO Cc1ccccc1[C@@H]1CN(S(=O)(=O)c2cc(C#N)ccc2C)CC[NH2+]1 ZINC001475811314 1061291701 /nfs/dbraw/zinc/29/17/01/1061291701.db2.gz VAEXBCSSGAMXBM-SFHVURJKSA-N 1 2 355.463 2.510 20 30 FFEDLO C=C(C)C[C@H]([NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)C(=O)OCC ZINC001462547298 1061664861 /nfs/dbraw/zinc/66/48/61/1061664861.db2.gz FQTVTFKHMWJYKS-ZRGWGRIASA-N 1 2 352.475 2.731 20 30 FFEDLO C=C[C@H](CC)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3[nH+]ccn31)C2 ZINC001522178603 1061675275 /nfs/dbraw/zinc/67/52/75/1061675275.db2.gz OILUGDBBSKJEMP-NCOADZHNSA-N 1 2 366.465 2.798 20 30 FFEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cccc2[nH+]ccn21 ZINC001522201135 1061715618 /nfs/dbraw/zinc/71/56/18/1061715618.db2.gz YPSJJAUYXOHLPR-YVSFHVDLSA-N 1 2 366.465 2.798 20 30 FFEDLO N#CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1 ZINC001529635679 1062364685 /nfs/dbraw/zinc/36/46/85/1062364685.db2.gz MIRKCXQHOQEUKW-UHFFFAOYSA-N 1 2 363.333 2.935 20 30 FFEDLO C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001479618352 1062628715 /nfs/dbraw/zinc/62/87/15/1062628715.db2.gz XFSGBJDYEBSFGU-OAGGEKHMSA-N 1 2 356.363 2.884 20 30 FFEDLO C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001479618352 1062628724 /nfs/dbraw/zinc/62/87/24/1062628724.db2.gz XFSGBJDYEBSFGU-OAGGEKHMSA-N 1 2 356.363 2.884 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CC[N@H+](Cc2nc(C3CCC3)no2)[C@@H]1CC ZINC001479633693 1062664748 /nfs/dbraw/zinc/66/47/48/1062664748.db2.gz OVWDVSPLHJATIS-DLBZAZTESA-N 1 2 358.486 3.000 20 30 FFEDLO C#CCCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(C3CCC3)no2)[C@@H]1CC ZINC001479633693 1062664755 /nfs/dbraw/zinc/66/47/55/1062664755.db2.gz OVWDVSPLHJATIS-DLBZAZTESA-N 1 2 358.486 3.000 20 30 FFEDLO C=CCOCC(=O)N[C@H]1CC[N@H+](Cc2coc(-c3cccs3)n2)[C@@H]1C ZINC001479700398 1062822531 /nfs/dbraw/zinc/82/25/31/1062822531.db2.gz ZQXBGZKUCGOZRZ-HIFRSBDPSA-N 1 2 361.467 2.685 20 30 FFEDLO C=CCOCC(=O)N[C@H]1CC[N@@H+](Cc2coc(-c3cccs3)n2)[C@@H]1C ZINC001479700398 1062822562 /nfs/dbraw/zinc/82/25/62/1062822562.db2.gz ZQXBGZKUCGOZRZ-HIFRSBDPSA-N 1 2 361.467 2.685 20 30 FFEDLO CN(c1nnc([C@H]2CCCC[N@@H+]2C)n1C[C@@H]1CCCO1)[C@@H]1CCC[C@H]1C#N ZINC001525295362 1063239781 /nfs/dbraw/zinc/23/97/81/1063239781.db2.gz XFRWTPKXPKILLL-WNRNVDISSA-N 1 2 372.517 2.742 20 30 FFEDLO CN(c1nnc([C@H]2CCCC[N@H+]2C)n1C[C@@H]1CCCO1)[C@@H]1CCC[C@H]1C#N ZINC001525295362 1063239793 /nfs/dbraw/zinc/23/97/93/1063239793.db2.gz XFRWTPKXPKILLL-WNRNVDISSA-N 1 2 372.517 2.742 20 30 FFEDLO CSC1([C@@H](C#N)N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC001533084299 1063241394 /nfs/dbraw/zinc/24/13/94/1063241394.db2.gz HAQIECQNNUQFKU-OAHLLOKOSA-N 1 2 371.422 2.640 20 30 FFEDLO Cc1c(C#N)c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)n2ccccc12 ZINC001525799776 1063421106 /nfs/dbraw/zinc/42/11/06/1063421106.db2.gz XFIUUCDMAFBIFA-HXUWFJFHSA-N 1 2 374.444 2.959 20 30 FFEDLO Cc1c(C#N)c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n2ccccc12 ZINC001525799776 1063421113 /nfs/dbraw/zinc/42/11/13/1063421113.db2.gz XFIUUCDMAFBIFA-HXUWFJFHSA-N 1 2 374.444 2.959 20 30 FFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(CNc2ncccc2C#N)c1 ZINC001441370641 1063431378 /nfs/dbraw/zinc/43/13/78/1063431378.db2.gz MBOYMHCPCDIYTN-HNNXBMFYSA-N 1 2 360.421 2.580 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC=C(Cl)Cl)CC2)cc1 ZINC001467327622 1063709634 /nfs/dbraw/zinc/70/96/34/1063709634.db2.gz ZESRRTSUSOCXSA-UHFFFAOYSA-N 1 2 353.253 2.704 20 30 FFEDLO C#Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC001468178005 1063938664 /nfs/dbraw/zinc/93/86/64/1063938664.db2.gz DCSKWTRTMGFMNK-QGZVFWFLSA-N 1 2 365.452 2.634 20 30 FFEDLO C#CC[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)CC2CCCCCC2)CC1 ZINC001574985460 1078097915 /nfs/dbraw/zinc/09/79/15/1078097915.db2.gz CXKPHABCFFUVHH-UHFFFAOYSA-N 1 2 357.502 2.591 20 30 FFEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1sccc1C(N)=O ZINC001559508148 1076168097 /nfs/dbraw/zinc/16/80/97/1076168097.db2.gz KELOZMGVJKONSZ-CYBMUJFWSA-N 1 2 368.462 2.734 20 30 FFEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1sccc1C(N)=O ZINC001559508148 1076168103 /nfs/dbraw/zinc/16/81/03/1076168103.db2.gz KELOZMGVJKONSZ-CYBMUJFWSA-N 1 2 368.462 2.734 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC001559938650 1076204153 /nfs/dbraw/zinc/20/41/53/1076204153.db2.gz QTSOYPCUQIHPBC-QGZVFWFLSA-N 1 2 372.432 2.567 20 30 FFEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC001559938650 1076204156 /nfs/dbraw/zinc/20/41/56/1076204156.db2.gz QTSOYPCUQIHPBC-QGZVFWFLSA-N 1 2 372.432 2.567 20 30 FFEDLO C[N@@H+](CC(=O)Nc1nc2ccccc2s1)C[C@@H](O)c1cccc(C#N)c1 ZINC001559976099 1076209407 /nfs/dbraw/zinc/20/94/07/1076209407.db2.gz JTOPWWKSTZBZNF-MRXNPFEDSA-N 1 2 366.446 2.772 20 30 FFEDLO C[N@H+](CC(=O)Nc1nc2ccccc2s1)C[C@@H](O)c1cccc(C#N)c1 ZINC001559976099 1076209409 /nfs/dbraw/zinc/20/94/09/1076209409.db2.gz JTOPWWKSTZBZNF-MRXNPFEDSA-N 1 2 366.446 2.772 20 30 FFEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001560184023 1076242934 /nfs/dbraw/zinc/24/29/34/1076242934.db2.gz CTEUVJXAYSTTKF-HZPDHXFCSA-N 1 2 350.846 2.652 20 30 FFEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001560184023 1076242938 /nfs/dbraw/zinc/24/29/38/1076242938.db2.gz CTEUVJXAYSTTKF-HZPDHXFCSA-N 1 2 350.846 2.652 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+](Cc3ccc(S(N)(=O)=O)cc3F)CC2)cc1 ZINC001560675898 1076290830 /nfs/dbraw/zinc/29/08/30/1076290830.db2.gz YBPATLXSEZODPJ-UHFFFAOYSA-N 1 2 371.437 2.634 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc(S(N)(=O)=O)cc3F)CC2)cc1 ZINC001560675898 1076290834 /nfs/dbraw/zinc/29/08/34/1076290834.db2.gz YBPATLXSEZODPJ-UHFFFAOYSA-N 1 2 371.437 2.634 20 30 FFEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001568496937 1077098669 /nfs/dbraw/zinc/09/86/69/1077098669.db2.gz ODBVPVMZERUJNY-RBUKOAKNSA-N 1 2 366.440 2.786 20 30 FFEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001568496937 1077098673 /nfs/dbraw/zinc/09/86/73/1077098673.db2.gz ODBVPVMZERUJNY-RBUKOAKNSA-N 1 2 366.440 2.786 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]2C[C@H]2CC(C)C)c1 ZINC001570737313 1077226877 /nfs/dbraw/zinc/22/68/77/1077226877.db2.gz CQBPHMNFDIOLOY-ILZDJORESA-N 1 2 369.509 2.725 20 30 FFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2C[C@H]2CC(C)C)c1 ZINC001570737313 1077226881 /nfs/dbraw/zinc/22/68/81/1077226881.db2.gz CQBPHMNFDIOLOY-ILZDJORESA-N 1 2 369.509 2.725 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001570742407 1077227409 /nfs/dbraw/zinc/22/74/09/1077227409.db2.gz PDWTUNWHWNTPTH-JVPBZIDWSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001570742407 1077227411 /nfs/dbraw/zinc/22/74/11/1077227411.db2.gz PDWTUNWHWNTPTH-JVPBZIDWSA-N 1 2 359.445 2.615 20 30 FFEDLO C=C(C)C(C)(C)C(=O)NCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001572155468 1077305283 /nfs/dbraw/zinc/30/52/83/1077305283.db2.gz KABNDWGDNPCAQE-ARFHVFGLSA-N 1 2 360.502 2.527 20 30 FFEDLO C=CCC1(C(=O)N[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C)CCC1 ZINC001572924340 1077443601 /nfs/dbraw/zinc/44/36/01/1077443601.db2.gz ROZAMDMIBMFAJM-RDTXWAMCSA-N 1 2 366.465 2.886 20 30 FFEDLO N#Cc1cccnc1NCc1cccc(C(=O)N[C@H]2CCn3c[nH+]cc32)c1 ZINC001585868737 1079507522 /nfs/dbraw/zinc/50/75/22/1079507522.db2.gz PUQYJGMXYADUJB-KRWDZBQOSA-N 1 2 358.405 2.637 20 30 FFEDLO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC001586601219 1079654709 /nfs/dbraw/zinc/65/47/09/1079654709.db2.gz MOHNWTGQCYNLFO-JKSUJKDBSA-N 1 2 364.490 2.885 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001588281696 1079962851 /nfs/dbraw/zinc/96/28/51/1079962851.db2.gz QUIGUZLDENUVHG-YWEYNIOJSA-N 1 2 369.396 2.587 20 30 FFEDLO C=CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588628119 1080127574 /nfs/dbraw/zinc/12/75/74/1080127574.db2.gz RPOHQYIUAYSJLP-MAUKXSAKSA-N 1 2 368.485 2.550 20 30 FFEDLO C=CC[N@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588628119 1080127576 /nfs/dbraw/zinc/12/75/76/1080127576.db2.gz RPOHQYIUAYSJLP-MAUKXSAKSA-N 1 2 368.485 2.550 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CCc2ccsc2)CC1 ZINC001588742591 1080178920 /nfs/dbraw/zinc/17/89/20/1080178920.db2.gz SXYOUWVZTIAQDK-MRXNPFEDSA-N 1 2 357.527 2.851 20 30 FFEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2CC2(CCC)CCC2)CC1 ZINC001588857478 1080219082 /nfs/dbraw/zinc/21/90/82/1080219082.db2.gz ODNLRGBOOPGRIN-UHFFFAOYSA-N 1 2 355.530 2.956 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000375931358 512576077 /nfs/dbraw/zinc/57/60/77/512576077.db2.gz IQXQWRIOOUVJTC-GFCCVEGCSA-N 1 2 364.858 2.513 20 30 FFEDLO CC(C)COC(=O)N1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000101555370 250076864 /nfs/dbraw/zinc/07/68/64/250076864.db2.gz MGHNEOOCQWFNNI-MRXNPFEDSA-N 1 2 372.469 2.686 20 30 FFEDLO CC(C)COC(=O)N1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000101555370 250076870 /nfs/dbraw/zinc/07/68/70/250076870.db2.gz MGHNEOOCQWFNNI-MRXNPFEDSA-N 1 2 372.469 2.686 20 30 FFEDLO N#Cc1cccc(OC2CC[NH+](CCS(=O)(=O)c3ccccc3)CC2)c1 ZINC000104715665 250183874 /nfs/dbraw/zinc/18/38/74/250183874.db2.gz MWGXQFOOVSWGSJ-UHFFFAOYSA-N 1 2 370.474 2.875 20 30 FFEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@@H]1COc2ccccc2O1 ZINC000173502839 251195100 /nfs/dbraw/zinc/19/51/00/251195100.db2.gz AYHAXSCGUDEWKE-MRXNPFEDSA-N 1 2 362.389 2.880 20 30 FFEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@@H]1COc2ccccc2O1 ZINC000173502839 251195103 /nfs/dbraw/zinc/19/51/03/251195103.db2.gz AYHAXSCGUDEWKE-MRXNPFEDSA-N 1 2 362.389 2.880 20 30 FFEDLO Cc1ncc(C[NH+]2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)s1 ZINC000186813563 251269732 /nfs/dbraw/zinc/26/97/32/251269732.db2.gz FRDLBMPTJHDNON-UHFFFAOYSA-N 1 2 366.490 2.699 20 30 FFEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000273343655 252285361 /nfs/dbraw/zinc/28/53/61/252285361.db2.gz ACPALQCJDMCLDV-HNNXBMFYSA-N 1 2 364.405 2.985 20 30 FFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1cccc(C)c1C#N ZINC000281781767 256664379 /nfs/dbraw/zinc/66/43/79/256664379.db2.gz UJJHLLWHQIFNBC-MRXNPFEDSA-N 1 2 358.467 2.999 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC=C(c3ccc(F)cc3)CC2)nc1 ZINC000289276227 257270999 /nfs/dbraw/zinc/27/09/99/257270999.db2.gz PPZVITZSTKEIDS-UHFFFAOYSA-N 1 2 371.437 2.655 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC=C(c3ccc(F)cc3)CC2)nc1 ZINC000289276227 257271000 /nfs/dbraw/zinc/27/10/00/257271000.db2.gz PPZVITZSTKEIDS-UHFFFAOYSA-N 1 2 371.437 2.655 20 30 FFEDLO N#Cc1ccc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)cc1F ZINC000289997270 257310629 /nfs/dbraw/zinc/31/06/29/257310629.db2.gz YWYGBJMEJGIYQL-MRXNPFEDSA-N 1 2 374.441 2.954 20 30 FFEDLO C[C@@]1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCOC1=O ZINC000289604611 257289696 /nfs/dbraw/zinc/28/96/96/257289696.db2.gz QMIUIXXNSKXLGX-GOSISDBHSA-N 1 2 361.467 2.512 20 30 FFEDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1(C)C ZINC000295217641 257621874 /nfs/dbraw/zinc/62/18/74/257621874.db2.gz HDFTXUIVPXUZIW-CQSZACIVSA-N 1 2 364.858 2.717 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2snc(C)c2C#N)CC1 ZINC000297369836 257824144 /nfs/dbraw/zinc/82/41/44/257824144.db2.gz HNQMNFULSOCVHW-UHFFFAOYSA-N 1 2 371.466 2.682 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3nc4ccccn4c3C#N)CC2)cc1F ZINC000302061114 258085685 /nfs/dbraw/zinc/08/56/85/258085685.db2.gz BMBVETDUERAWAE-UHFFFAOYSA-N 1 2 365.412 2.676 20 30 FFEDLO N#Cc1cc2c(nc1N1C[C@@H]3[C@H](C1)OCC[N@@H+]3Cc1ccccc1)CCCC2 ZINC000301934447 258076079 /nfs/dbraw/zinc/07/60/79/258076079.db2.gz QMMMLFOEMYMGBC-YADHBBJMSA-N 1 2 374.488 2.922 20 30 FFEDLO N#Cc1cc2c(nc1N1C[C@@H]3[C@H](C1)OCC[N@H+]3Cc1ccccc1)CCCC2 ZINC000301934447 258076081 /nfs/dbraw/zinc/07/60/81/258076081.db2.gz QMMMLFOEMYMGBC-YADHBBJMSA-N 1 2 374.488 2.922 20 30 FFEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000331874221 258203940 /nfs/dbraw/zinc/20/39/40/258203940.db2.gz NUPKEZDPBUPTNG-CQSZACIVSA-N 1 2 360.889 2.781 20 30 FFEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000332104632 258214170 /nfs/dbraw/zinc/21/41/70/258214170.db2.gz GNBWNEXTAMYCLU-OAHLLOKOSA-N 1 2 373.453 2.765 20 30 FFEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOCC34CC4)sc2C1 ZINC000333205657 258256206 /nfs/dbraw/zinc/25/62/06/258256206.db2.gz YVYVBEVFDYJPFX-ZDUSSCGKSA-N 1 2 359.495 2.938 20 30 FFEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCOCC34CC4)sc2C1 ZINC000333205657 258256207 /nfs/dbraw/zinc/25/62/07/258256207.db2.gz YVYVBEVFDYJPFX-ZDUSSCGKSA-N 1 2 359.495 2.938 20 30 FFEDLO CCN1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000331755584 258199594 /nfs/dbraw/zinc/19/95/94/258199594.db2.gz LYSKRDNXYNCKFK-HNNXBMFYSA-N 1 2 369.473 2.749 20 30 FFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377122776 512133144 /nfs/dbraw/zinc/13/31/44/512133144.db2.gz JWIFILNGNVLUMU-SJORKVTESA-N 1 2 365.518 2.742 20 30 FFEDLO CC#CCSc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1 ZINC000097599435 222196980 /nfs/dbraw/zinc/19/69/80/222196980.db2.gz QRQVVTUBZCSCDV-UHFFFAOYSA-N 1 2 360.458 2.532 20 30 FFEDLO Cc1noc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000052862480 506267322 /nfs/dbraw/zinc/26/73/22/506267322.db2.gz PQTXVMSAMYJXEN-FZMZJTMJSA-N 1 2 357.414 2.666 20 30 FFEDLO Cc1noc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000052862480 506267324 /nfs/dbraw/zinc/26/73/24/506267324.db2.gz PQTXVMSAMYJXEN-FZMZJTMJSA-N 1 2 357.414 2.666 20 30 FFEDLO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000373175021 512206856 /nfs/dbraw/zinc/20/68/56/512206856.db2.gz YDYLIHIPLDSYKX-QGZVFWFLSA-N 1 2 351.454 2.816 20 30 FFEDLO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000373175021 512206854 /nfs/dbraw/zinc/20/68/54/512206854.db2.gz YDYLIHIPLDSYKX-QGZVFWFLSA-N 1 2 351.454 2.816 20 30 FFEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000007017662 506525454 /nfs/dbraw/zinc/52/54/54/506525454.db2.gz NKUDKDLUYRWICP-HXUWFJFHSA-N 1 2 358.486 2.700 20 30 FFEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000007017662 506525458 /nfs/dbraw/zinc/52/54/58/506525458.db2.gz NKUDKDLUYRWICP-HXUWFJFHSA-N 1 2 358.486 2.700 20 30 FFEDLO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000066474010 506529447 /nfs/dbraw/zinc/52/94/47/506529447.db2.gz OFNFLPRSNCAGCU-DZGCQCFKSA-N 1 2 362.499 2.575 20 30 FFEDLO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000066474010 506529453 /nfs/dbraw/zinc/52/94/53/506529453.db2.gz OFNFLPRSNCAGCU-DZGCQCFKSA-N 1 2 362.499 2.575 20 30 FFEDLO N#CCSCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000041941671 506570624 /nfs/dbraw/zinc/57/06/24/506570624.db2.gz GOXKBMYVCHEYHM-AWEZNQCLSA-N 1 2 355.866 2.989 20 30 FFEDLO C=CCOc1ccc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1OC ZINC000054628216 506590451 /nfs/dbraw/zinc/59/04/51/506590451.db2.gz IKFZPGKBTDEZDW-UHFFFAOYSA-N 1 2 364.405 2.771 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000044741647 506882013 /nfs/dbraw/zinc/88/20/13/506882013.db2.gz AIKCUXAHIXXEKS-HOTGVXAUSA-N 1 2 362.905 2.779 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000044741647 506882019 /nfs/dbraw/zinc/88/20/19/506882019.db2.gz AIKCUXAHIXXEKS-HOTGVXAUSA-N 1 2 362.905 2.779 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3Cc4ccccc4S3)CC2)cc1 ZINC000014043608 506962413 /nfs/dbraw/zinc/96/24/13/506962413.db2.gz QNLXFLCGEXYPDY-HXUWFJFHSA-N 1 2 363.486 2.919 20 30 FFEDLO C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(C#N)cc3)c[nH+]2)C[C@H](C)O1 ZINC000045956114 507052520 /nfs/dbraw/zinc/05/25/20/507052520.db2.gz XXMPYIOMZAXUSB-GJZGRUSLSA-N 1 2 365.437 2.889 20 30 FFEDLO N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000017740284 507128644 /nfs/dbraw/zinc/12/86/44/507128644.db2.gz ZCSBWAQIRVRGOZ-QGZVFWFLSA-N 1 2 371.868 2.774 20 30 FFEDLO CCOc1cc2c(cc1OCC)C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CC2 ZINC000057622815 507294714 /nfs/dbraw/zinc/29/47/14/507294714.db2.gz GRQFKQGWHQVIRV-HNNXBMFYSA-N 1 2 359.470 2.603 20 30 FFEDLO CCOc1cc2c(cc1OCC)C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CC2 ZINC000057622815 507294721 /nfs/dbraw/zinc/29/47/21/507294721.db2.gz GRQFKQGWHQVIRV-HNNXBMFYSA-N 1 2 359.470 2.603 20 30 FFEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCN(c4ccccc4)C3=O)CC2)c(F)c1 ZINC000068819501 507332851 /nfs/dbraw/zinc/33/28/51/507332851.db2.gz KLEUUXZDXCUTIS-FQEVSTJZSA-N 1 2 364.424 2.625 20 30 FFEDLO C=CC[N@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)Cc1cccc(C#N)c1 ZINC000068826775 507336166 /nfs/dbraw/zinc/33/61/66/507336166.db2.gz YSGJFGMZBRZYFH-FQEVSTJZSA-N 1 2 361.445 2.666 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)Cc1cccc(C#N)c1 ZINC000068826775 507336173 /nfs/dbraw/zinc/33/61/73/507336173.db2.gz YSGJFGMZBRZYFH-FQEVSTJZSA-N 1 2 361.445 2.666 20 30 FFEDLO O=C(CN1CC[NH+](Cc2ccccc2Cl)CC1)Nc1nncs1 ZINC000023249984 507340579 /nfs/dbraw/zinc/34/05/79/507340579.db2.gz KHKMHTLHNFWJCO-UHFFFAOYSA-N 1 2 351.863 2.597 20 30 FFEDLO COc1cccc(C(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)c1OC ZINC000058523295 507432487 /nfs/dbraw/zinc/43/24/87/507432487.db2.gz SRXMGNNDDPIDCK-UHFFFAOYSA-N 1 2 365.433 2.533 20 30 FFEDLO N#Cc1ccc(Oc2ccc(NC(=O)NCC[NH+]3CCOCC3)cc2)cc1 ZINC000069203006 507432740 /nfs/dbraw/zinc/43/27/40/507432740.db2.gz PJEBHZGLRBNTJN-UHFFFAOYSA-N 1 2 366.421 2.804 20 30 FFEDLO CCN(CC)c1ccc(CNC(=O)NCc2ccc(OCC#N)cc2)c[nH+]1 ZINC000069278663 507456620 /nfs/dbraw/zinc/45/66/20/507456620.db2.gz ZESFXUYYAZLDJH-UHFFFAOYSA-N 1 2 367.453 2.830 20 30 FFEDLO COc1ccccc1CCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000060391526 507538327 /nfs/dbraw/zinc/53/83/27/507538327.db2.gz FKWBPEJQEZBGRK-UHFFFAOYSA-N 1 2 363.461 2.844 20 30 FFEDLO COc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1OCCCC#N ZINC000375473460 512348546 /nfs/dbraw/zinc/34/85/46/512348546.db2.gz YXJPWFXUXYVNSW-ZWKOTPCHSA-N 1 2 372.465 2.948 20 30 FFEDLO COc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1OCCCC#N ZINC000375473460 512348551 /nfs/dbraw/zinc/34/85/51/512348551.db2.gz YXJPWFXUXYVNSW-ZWKOTPCHSA-N 1 2 372.465 2.948 20 30 FFEDLO CC[N@@H+](CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)C[C@@H](C)C#N ZINC000049982381 507649975 /nfs/dbraw/zinc/64/99/75/507649975.db2.gz JZLVJOGAZZBQEL-INIZCTEOSA-N 1 2 371.481 2.825 20 30 FFEDLO CC[N@H+](CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)C[C@@H](C)C#N ZINC000049982381 507649980 /nfs/dbraw/zinc/64/99/80/507649980.db2.gz JZLVJOGAZZBQEL-INIZCTEOSA-N 1 2 371.481 2.825 20 30 FFEDLO COCC[N@H+](CC(=O)N(CC(F)(F)F)C(C)C)Cc1ccc(C#N)cc1 ZINC000063753552 507768073 /nfs/dbraw/zinc/76/80/73/507768073.db2.gz CHKVNKCTMRGRLI-UHFFFAOYSA-N 1 2 371.403 2.806 20 30 FFEDLO COCC[N@@H+](CC(=O)N(CC(F)(F)F)C(C)C)Cc1ccc(C#N)cc1 ZINC000063753552 507768077 /nfs/dbraw/zinc/76/80/77/507768077.db2.gz CHKVNKCTMRGRLI-UHFFFAOYSA-N 1 2 371.403 2.806 20 30 FFEDLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445376 507778485 /nfs/dbraw/zinc/77/84/85/507778485.db2.gz IDCQDNMOHYADTG-AWEZNQCLSA-N 1 2 369.856 2.756 20 30 FFEDLO C=CC[NH+](CC=C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000051766988 507784441 /nfs/dbraw/zinc/78/44/41/507784441.db2.gz UHSNFAHLDVYQOW-HNNXBMFYSA-N 1 2 367.371 2.967 20 30 FFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000029783550 507790349 /nfs/dbraw/zinc/79/03/49/507790349.db2.gz FGNSQXIICIKZTP-DNVCBOLYSA-N 1 2 360.417 2.965 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029859689 507793514 /nfs/dbraw/zinc/79/35/14/507793514.db2.gz RVYMWAZAAIUALU-MRXNPFEDSA-N 1 2 358.461 2.632 20 30 FFEDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000031114955 507817413 /nfs/dbraw/zinc/81/74/13/507817413.db2.gz KSAXVAJNAYJNST-UZLBHIALSA-N 1 2 358.486 2.617 20 30 FFEDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000031114955 507817414 /nfs/dbraw/zinc/81/74/14/507817414.db2.gz KSAXVAJNAYJNST-UZLBHIALSA-N 1 2 358.486 2.617 20 30 FFEDLO Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1C ZINC000031300107 507818805 /nfs/dbraw/zinc/81/88/05/507818805.db2.gz VOZIKEWWIYESIR-UZLBHIALSA-N 1 2 358.486 2.617 20 30 FFEDLO Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1C ZINC000031300107 507818806 /nfs/dbraw/zinc/81/88/06/507818806.db2.gz VOZIKEWWIYESIR-UZLBHIALSA-N 1 2 358.486 2.617 20 30 FFEDLO CCOc1ccccc1NC(=O)[C@H](C)O[NH+]=C(N)Cc1csc(C)n1 ZINC000072920152 507873384 /nfs/dbraw/zinc/87/33/84/507873384.db2.gz LUICTJKNHSYRSB-NSHDSACASA-N 1 2 362.455 2.709 20 30 FFEDLO C=CC[NH+](CC=C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000072938904 507874800 /nfs/dbraw/zinc/87/48/00/507874800.db2.gz FWXONOXFCWSIAL-UHFFFAOYSA-N 1 2 365.359 2.899 20 30 FFEDLO CCc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3ncccc3C#N)CC2)cc1 ZINC000073108208 507894784 /nfs/dbraw/zinc/89/47/84/507894784.db2.gz ULIYONRYAQJREJ-INIZCTEOSA-N 1 2 363.465 2.665 20 30 FFEDLO N#CCCN(CCOc1c(Cl)cccc1Cl)CC[NH+]1CCOCC1 ZINC000078687086 507897741 /nfs/dbraw/zinc/89/77/41/507897741.db2.gz MLTAESZHAKDHLV-UHFFFAOYSA-N 1 2 372.296 2.920 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078691775 507898131 /nfs/dbraw/zinc/89/81/31/507898131.db2.gz GSPKVNSPINAUBO-QUCCMNQESA-N 1 2 354.498 2.682 20 30 FFEDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000092042294 508036337 /nfs/dbraw/zinc/03/63/37/508036337.db2.gz IYWZPXUEXVHRFN-HRAATJIYSA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000092042294 508036339 /nfs/dbraw/zinc/03/63/39/508036339.db2.gz IYWZPXUEXVHRFN-HRAATJIYSA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000092042450 508036600 /nfs/dbraw/zinc/03/66/00/508036600.db2.gz LIDPKUADGFMCJY-KKSFZXQISA-N 1 2 352.434 2.719 20 30 FFEDLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000092042450 508036603 /nfs/dbraw/zinc/03/66/03/508036603.db2.gz LIDPKUADGFMCJY-KKSFZXQISA-N 1 2 352.434 2.719 20 30 FFEDLO C=CC[N@@H+](Cc1ccc(OC)c(OCC(=C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361725 508064957 /nfs/dbraw/zinc/06/49/57/508064957.db2.gz GOFWCUMXJGXIMQ-KRWDZBQOSA-N 1 2 365.495 2.825 20 30 FFEDLO C=CC[N@H+](Cc1ccc(OC)c(OCC(=C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361725 508064960 /nfs/dbraw/zinc/06/49/60/508064960.db2.gz GOFWCUMXJGXIMQ-KRWDZBQOSA-N 1 2 365.495 2.825 20 30 FFEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000080350338 508067273 /nfs/dbraw/zinc/06/72/73/508067273.db2.gz WEMPUMFBBTYNBG-GOSISDBHSA-N 1 2 352.438 2.739 20 30 FFEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000111250697 508082193 /nfs/dbraw/zinc/08/21/93/508082193.db2.gz AZWHVGMQXDBQMI-UHFFFAOYSA-N 1 2 367.497 2.793 20 30 FFEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000111250697 508082195 /nfs/dbraw/zinc/08/21/95/508082195.db2.gz AZWHVGMQXDBQMI-UHFFFAOYSA-N 1 2 367.497 2.793 20 30 FFEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H](C)c2ccccc2F)CC1 ZINC000092617546 508088096 /nfs/dbraw/zinc/08/80/96/508088096.db2.gz NNCKBYYXTSSLCT-QFBILLFUSA-N 1 2 360.477 2.511 20 30 FFEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2ccccc2F)CC1 ZINC000092617546 508088100 /nfs/dbraw/zinc/08/81/00/508088100.db2.gz NNCKBYYXTSSLCT-QFBILLFUSA-N 1 2 360.477 2.511 20 30 FFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC(=O)NCC2CCCCC2)CC1 ZINC000080908142 508111015 /nfs/dbraw/zinc/11/10/15/508111015.db2.gz NUUNQOKNFNSGDT-HXUWFJFHSA-N 1 2 354.498 2.565 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cc1C ZINC000081069068 508131773 /nfs/dbraw/zinc/13/17/73/508131773.db2.gz XSYGMROZKKSFEC-QGZVFWFLSA-N 1 2 369.387 2.549 20 30 FFEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@](O)(C(F)(F)F)C2)cc1C ZINC000081069068 508131776 /nfs/dbraw/zinc/13/17/76/508131776.db2.gz XSYGMROZKKSFEC-QGZVFWFLSA-N 1 2 369.387 2.549 20 30 FFEDLO COc1ccc(C[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1OCCCC#N ZINC000093421835 508145191 /nfs/dbraw/zinc/14/51/91/508145191.db2.gz IOTYOGFAIYLLFE-CABCVRRESA-N 1 2 368.499 2.631 20 30 FFEDLO COc1ccc(C[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1OCCCC#N ZINC000093421835 508145193 /nfs/dbraw/zinc/14/51/93/508145193.db2.gz IOTYOGFAIYLLFE-CABCVRRESA-N 1 2 368.499 2.631 20 30 FFEDLO COc1cc(CN2CC[NH+](Cc3cc(C#N)cs3)CC2)cc(OC)c1 ZINC000093841098 508157287 /nfs/dbraw/zinc/15/72/87/508157287.db2.gz LBIIGLPCOFIVBV-UHFFFAOYSA-N 1 2 357.479 2.955 20 30 FFEDLO COc1cc(C[NH+]2CCN(Cc3cc(C#N)cs3)CC2)cc(OC)c1 ZINC000093841098 508157289 /nfs/dbraw/zinc/15/72/89/508157289.db2.gz LBIIGLPCOFIVBV-UHFFFAOYSA-N 1 2 357.479 2.955 20 30 FFEDLO N#CCC[N@@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)CC1CC1 ZINC000081514604 508184609 /nfs/dbraw/zinc/18/46/09/508184609.db2.gz UWHHSTGUZWTTGD-UHFFFAOYSA-N 1 2 360.889 2.614 20 30 FFEDLO N#CCC[N@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)CC1CC1 ZINC000081514604 508184612 /nfs/dbraw/zinc/18/46/12/508184612.db2.gz UWHHSTGUZWTTGD-UHFFFAOYSA-N 1 2 360.889 2.614 20 30 FFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H](C)Oc1ccccc1C#N)C2 ZINC000112664125 508207393 /nfs/dbraw/zinc/20/73/93/508207393.db2.gz DTMJQDFBVWSMKZ-AWEZNQCLSA-N 1 2 352.438 2.767 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCC(F)(F)F)CC2CC2)cc1 ZINC000084138347 508266959 /nfs/dbraw/zinc/26/69/59/508266959.db2.gz CQTYJZKZVAXPMD-UHFFFAOYSA-N 1 2 360.401 2.996 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](CCC(F)(F)F)CC2CC2)cc1 ZINC000084138347 508266962 /nfs/dbraw/zinc/26/69/62/508266962.db2.gz CQTYJZKZVAXPMD-UHFFFAOYSA-N 1 2 360.401 2.996 20 30 FFEDLO C[C@H](C#N)CN(C)C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000076963099 508268427 /nfs/dbraw/zinc/26/84/27/508268427.db2.gz PUCSJLACKPXSGQ-CQSZACIVSA-N 1 2 352.438 2.775 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000076968169 508269134 /nfs/dbraw/zinc/26/91/34/508269134.db2.gz UUCHDJGDULWHAE-GOSISDBHSA-N 1 2 357.498 2.566 20 30 FFEDLO CC1CCN(c2ccc(C[NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)cn2)CC1 ZINC000115597239 508416110 /nfs/dbraw/zinc/41/61/10/508416110.db2.gz FKSFVMSTAFLQKC-HXUWFJFHSA-N 1 2 363.465 2.506 20 30 FFEDLO Cc1cc(C[NH+]2CCN(c3ccc(Br)cc3C#N)CC2)on1 ZINC000121822708 508425957 /nfs/dbraw/zinc/42/59/57/508425957.db2.gz ATSGOLIDCVNGFP-UHFFFAOYSA-N 1 2 361.243 2.939 20 30 FFEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152629609 508482705 /nfs/dbraw/zinc/48/27/05/508482705.db2.gz PKKHXFOTJHDMLY-INIZCTEOSA-N 1 2 350.422 2.506 20 30 FFEDLO CC[N@H+](CCC#N)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000127660282 508483208 /nfs/dbraw/zinc/48/32/08/508483208.db2.gz ADRBOOJMPDPZCZ-UHFFFAOYSA-N 1 2 351.878 2.787 20 30 FFEDLO CC[N@@H+](CCC#N)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000127660282 508483209 /nfs/dbraw/zinc/48/32/09/508483209.db2.gz ADRBOOJMPDPZCZ-UHFFFAOYSA-N 1 2 351.878 2.787 20 30 FFEDLO C=CCc1ccc(OCC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(OC)c1 ZINC000152635686 508483528 /nfs/dbraw/zinc/48/35/28/508483528.db2.gz KOPSRVZAVHMBQO-KRWDZBQOSA-N 1 2 367.449 2.593 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NCCNc2ccc3ccccc3[nH+]2)c(F)c1 ZINC000153169012 508554715 /nfs/dbraw/zinc/55/47/15/508554715.db2.gz DDVABKZATBSOPX-UHFFFAOYSA-N 1 2 370.409 2.636 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000369418194 512402660 /nfs/dbraw/zinc/40/26/60/512402660.db2.gz NJDWGYJLBDSTGZ-ICSRJNTNSA-N 1 2 354.381 2.505 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000369418194 512402663 /nfs/dbraw/zinc/40/26/63/512402663.db2.gz NJDWGYJLBDSTGZ-ICSRJNTNSA-N 1 2 354.381 2.505 20 30 FFEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153261607 508565018 /nfs/dbraw/zinc/56/50/18/508565018.db2.gz NKHDTAIWNMYTMB-AWEZNQCLSA-N 1 2 370.324 2.844 20 30 FFEDLO C=CCNC(=O)[C@H](C)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153261607 508565020 /nfs/dbraw/zinc/56/50/20/508565020.db2.gz NKHDTAIWNMYTMB-AWEZNQCLSA-N 1 2 370.324 2.844 20 30 FFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)Cc2[nH+]ccn2C)c1 ZINC000153370223 508577091 /nfs/dbraw/zinc/57/70/91/508577091.db2.gz LBEBQVMCHQAEPS-KRWDZBQOSA-N 1 2 353.470 2.804 20 30 FFEDLO COc1cccc(C[NH+]2CCN(c3ncccc3C#N)CC2)c1OC(F)F ZINC000122940577 508611379 /nfs/dbraw/zinc/61/13/79/508611379.db2.gz LLTPRAXWJXVPFD-UHFFFAOYSA-N 1 2 374.391 2.885 20 30 FFEDLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CCN1CC(F)F ZINC000153636101 508613984 /nfs/dbraw/zinc/61/39/84/508613984.db2.gz WXEQKEGNISERMC-BBRMVZONSA-N 1 2 350.413 2.547 20 30 FFEDLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CCN1CC(F)F ZINC000153636101 508613987 /nfs/dbraw/zinc/61/39/87/508613987.db2.gz WXEQKEGNISERMC-BBRMVZONSA-N 1 2 350.413 2.547 20 30 FFEDLO Cc1nc(C)c(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])s1 ZINC000154005652 508697301 /nfs/dbraw/zinc/69/73/01/508697301.db2.gz FJGUHTYMIPNEPP-UHFFFAOYSA-N 1 2 367.478 2.920 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000131007743 508876087 /nfs/dbraw/zinc/87/60/87/508876087.db2.gz TVQQHBACPIODGJ-UHFFFAOYSA-N 1 2 373.350 2.533 20 30 FFEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000159838880 508899353 /nfs/dbraw/zinc/89/93/53/508899353.db2.gz FWFDFWNXGSCEMR-QGZVFWFLSA-N 1 2 373.928 2.756 20 30 FFEDLO Cc1ccccc1CC(=O)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000155154923 508935904 /nfs/dbraw/zinc/93/59/04/508935904.db2.gz ZPQUZOMGVHYDDN-UHFFFAOYSA-N 1 2 363.461 2.632 20 30 FFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000155258404 508960266 /nfs/dbraw/zinc/96/02/66/508960266.db2.gz DDNVGXLSFUWCAI-HNNXBMFYSA-N 1 2 366.421 2.504 20 30 FFEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000151277080 508992049 /nfs/dbraw/zinc/99/20/49/508992049.db2.gz NGZHILPTFPTIAU-LRDDRELGSA-N 1 2 364.858 2.680 20 30 FFEDLO C=CC[C@@H]1N(C(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CCCC1(C)C ZINC000411002145 512434613 /nfs/dbraw/zinc/43/46/13/512434613.db2.gz IQDFHJZEUNVQIH-ROUUACIJSA-N 1 2 371.481 2.655 20 30 FFEDLO C[C@@H](Cc1ccccc1Cl)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000151648819 509059198 /nfs/dbraw/zinc/05/91/98/509059198.db2.gz DGZKHKYUDHDSCJ-INIZCTEOSA-N 1 2 363.889 2.593 20 30 FFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000126075901 509060467 /nfs/dbraw/zinc/06/04/67/509060467.db2.gz PLALJYUFGLEVIX-CYBMUJFWSA-N 1 2 350.831 2.851 20 30 FFEDLO C=CC[C@H]1N(C(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CCCC1(C)C ZINC000411002146 512434888 /nfs/dbraw/zinc/43/48/88/512434888.db2.gz IQDFHJZEUNVQIH-ZWKOTPCHSA-N 1 2 371.481 2.655 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000151738353 509074487 /nfs/dbraw/zinc/07/44/87/509074487.db2.gz PYCXAYSYMGQQHK-WMZOPIPTSA-N 1 2 374.462 2.513 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000151738353 509074488 /nfs/dbraw/zinc/07/44/88/509074488.db2.gz PYCXAYSYMGQQHK-WMZOPIPTSA-N 1 2 374.462 2.513 20 30 FFEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000155839468 509079554 /nfs/dbraw/zinc/07/95/54/509079554.db2.gz WHGKLGCRRHGMNG-UHFFFAOYSA-N 1 2 371.510 2.907 20 30 FFEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N[C@H](C)c2ccccc2Cl)cs1 ZINC000121046169 509117527 /nfs/dbraw/zinc/11/75/27/509117527.db2.gz NLARIVMQJIVVAG-SNVBAGLBSA-N 1 2 366.874 2.814 20 30 FFEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N[C@@H](c2ccccc2)C2CC2)cs1 ZINC000121048436 509118343 /nfs/dbraw/zinc/11/83/43/509118343.db2.gz ZRBFKZYIDOKFMU-SFHVURJKSA-N 1 2 358.467 2.550 20 30 FFEDLO Cn1c[nH+]cc1CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000121388275 509171335 /nfs/dbraw/zinc/17/13/35/509171335.db2.gz GHMDKVVREUSDQN-UHFFFAOYSA-N 1 2 360.417 2.843 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000263891669 509210963 /nfs/dbraw/zinc/21/09/63/509210963.db2.gz SUFYTLXJRRPEQF-OXJNMPFZSA-N 1 2 357.454 2.649 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000263891669 509210968 /nfs/dbraw/zinc/21/09/68/509210968.db2.gz SUFYTLXJRRPEQF-OXJNMPFZSA-N 1 2 357.454 2.649 20 30 FFEDLO C(#Cc1ccccc1)C[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000191933130 509252677 /nfs/dbraw/zinc/25/26/77/509252677.db2.gz MVRNKYAINWOTRR-UHFFFAOYSA-N 1 2 364.474 2.967 20 30 FFEDLO COc1ccc(C[NH+]2CCN(C(=O)C(C)C)CC2)cc1OCCCC#N ZINC000263970823 509255127 /nfs/dbraw/zinc/25/51/27/509255127.db2.gz BKJDKZBNMFLTQE-UHFFFAOYSA-N 1 2 359.470 2.678 20 30 FFEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000179164411 509297845 /nfs/dbraw/zinc/29/78/45/509297845.db2.gz BDYFZADLRKKCOA-OAHLLOKOSA-N 1 2 351.410 2.752 20 30 FFEDLO N#Cc1ccc(OC2CC[NH+]([C@@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000264083462 509322289 /nfs/dbraw/zinc/32/22/89/509322289.db2.gz DWDNXLXARMIOCF-LJQANCHMSA-N 1 2 353.397 2.767 20 30 FFEDLO CCOc1ccc([C@@H](C)NC(=O)C[N@H+](CCC#N)CC2CC2)cc1OC ZINC000267063019 509330555 /nfs/dbraw/zinc/33/05/55/509330555.db2.gz JCTMZHIJGFYWJK-OAHLLOKOSA-N 1 2 359.470 2.897 20 30 FFEDLO CCOc1ccc([C@@H](C)NC(=O)C[N@@H+](CCC#N)CC2CC2)cc1OC ZINC000267063019 509330558 /nfs/dbraw/zinc/33/05/58/509330558.db2.gz JCTMZHIJGFYWJK-OAHLLOKOSA-N 1 2 359.470 2.897 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000176199826 509374341 /nfs/dbraw/zinc/37/43/41/509374341.db2.gz YCULXXOLIGWQCT-UHFFFAOYSA-N 1 2 368.458 2.827 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000176199826 509374349 /nfs/dbraw/zinc/37/43/49/509374349.db2.gz YCULXXOLIGWQCT-UHFFFAOYSA-N 1 2 368.458 2.827 20 30 FFEDLO COc1cc(C(N)=[NH+]OCc2noc(C(C)C)n2)cc(Cl)c1OC ZINC000264551044 509596079 /nfs/dbraw/zinc/59/60/79/509596079.db2.gz ZSPQYFNJEROKCG-UHFFFAOYSA-N 1 2 354.794 2.701 20 30 FFEDLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)cc1 ZINC000264588920 509616280 /nfs/dbraw/zinc/61/62/80/509616280.db2.gz YGJIOSQUNPPNFZ-UHFFFAOYSA-N 1 2 365.433 2.556 20 30 FFEDLO C[C@H](Sc1ccccn1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000267970228 509693970 /nfs/dbraw/zinc/69/39/70/509693970.db2.gz ZOTSRRSQRBWXPU-INIZCTEOSA-N 1 2 366.490 2.778 20 30 FFEDLO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)OC(C)(C)C ZINC000170645980 509694725 /nfs/dbraw/zinc/69/47/25/509694725.db2.gz WIFBIFYAXUBUFH-UHFFFAOYSA-N 1 2 363.483 2.711 20 30 FFEDLO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)OC(C)(C)C ZINC000170645980 509694729 /nfs/dbraw/zinc/69/47/29/509694729.db2.gz WIFBIFYAXUBUFH-UHFFFAOYSA-N 1 2 363.483 2.711 20 30 FFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000189680676 509700403 /nfs/dbraw/zinc/70/04/03/509700403.db2.gz NXCZNXACQYMHTM-HNNXBMFYSA-N 1 2 359.367 2.786 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c(OC)c1 ZINC000249724808 509744411 /nfs/dbraw/zinc/74/44/11/509744411.db2.gz PBGDZUMNDWNPIC-QZTJIDSGSA-N 1 2 371.481 2.766 20 30 FFEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c(OC)c1 ZINC000249724808 509744418 /nfs/dbraw/zinc/74/44/18/509744418.db2.gz PBGDZUMNDWNPIC-QZTJIDSGSA-N 1 2 371.481 2.766 20 30 FFEDLO C[C@H](c1nc(-c2cccnc2)no1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000264880576 509755032 /nfs/dbraw/zinc/75/50/32/509755032.db2.gz CPQWDOWDIRIBCI-MRXNPFEDSA-N 1 2 374.448 2.882 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000173972942 509881972 /nfs/dbraw/zinc/88/19/72/509881972.db2.gz WKDWADHAGPYNPS-HOTGVXAUSA-N 1 2 362.905 2.779 20 30 FFEDLO C[C@@H](C(=O)N(C)CCC#N)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000173972942 509881978 /nfs/dbraw/zinc/88/19/78/509881978.db2.gz WKDWADHAGPYNPS-HOTGVXAUSA-N 1 2 362.905 2.779 20 30 FFEDLO C=CCc1cc(C[NH+]2CCN(Cc3cccnc3)CC2)cc(OC)c1O ZINC000183669128 509917236 /nfs/dbraw/zinc/91/72/36/509917236.db2.gz RUYIWYKMNLTRNP-UHFFFAOYSA-N 1 2 353.466 2.842 20 30 FFEDLO C=CCc1cc(CN2CC[NH+](Cc3cccnc3)CC2)cc(OC)c1O ZINC000183669128 509917241 /nfs/dbraw/zinc/91/72/41/509917241.db2.gz RUYIWYKMNLTRNP-UHFFFAOYSA-N 1 2 353.466 2.842 20 30 FFEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@H](C)c2ccccc2F)CC1 ZINC000245561194 510009034 /nfs/dbraw/zinc/00/90/34/510009034.db2.gz NNCKBYYXTSSLCT-VQIMIIECSA-N 1 2 360.477 2.511 20 30 FFEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@H](C)c2ccccc2F)CC1 ZINC000245561194 510009042 /nfs/dbraw/zinc/00/90/42/510009042.db2.gz NNCKBYYXTSSLCT-VQIMIIECSA-N 1 2 360.477 2.511 20 30 FFEDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000265473566 510073150 /nfs/dbraw/zinc/07/31/50/510073150.db2.gz DOESVEGBGMURSZ-LJQANCHMSA-N 1 2 351.406 2.733 20 30 FFEDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000265473566 510073157 /nfs/dbraw/zinc/07/31/57/510073157.db2.gz DOESVEGBGMURSZ-LJQANCHMSA-N 1 2 351.406 2.733 20 30 FFEDLO CCc1ccc([C@H]2COCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)o1 ZINC000265475657 510076110 /nfs/dbraw/zinc/07/61/10/510076110.db2.gz FBXUBHRXVWJCKU-VQIMIIECSA-N 1 2 356.422 2.527 20 30 FFEDLO CCc1ccc([C@H]2COCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)o1 ZINC000265475657 510076117 /nfs/dbraw/zinc/07/61/17/510076117.db2.gz FBXUBHRXVWJCKU-VQIMIIECSA-N 1 2 356.422 2.527 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000245759422 510132795 /nfs/dbraw/zinc/13/27/95/510132795.db2.gz FEBWQANVPBGCFZ-IAGOWNOFSA-N 1 2 350.509 2.692 20 30 FFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000245759422 510132802 /nfs/dbraw/zinc/13/28/02/510132802.db2.gz FEBWQANVPBGCFZ-IAGOWNOFSA-N 1 2 350.509 2.692 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1C ZINC000177603365 510156807 /nfs/dbraw/zinc/15/68/07/510156807.db2.gz PRORPPSDUOYDJN-LJQANCHMSA-N 1 2 359.514 2.660 20 30 FFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c1C ZINC000177603365 510156810 /nfs/dbraw/zinc/15/68/10/510156810.db2.gz PRORPPSDUOYDJN-LJQANCHMSA-N 1 2 359.514 2.660 20 30 FFEDLO C=CCn1c(C)cc(C(=O)CN2CCCC[C@@H]2C[NH+]2CCOCC2)c1C ZINC000177603365 510156814 /nfs/dbraw/zinc/15/68/14/510156814.db2.gz PRORPPSDUOYDJN-LJQANCHMSA-N 1 2 359.514 2.660 20 30 FFEDLO N#Cc1ccc(NC(=O)NCc2ccc[nH+]c2N2CCOCC2)c(Cl)c1 ZINC000269150500 510258504 /nfs/dbraw/zinc/25/85/04/510258504.db2.gz QRJJEDCYIAAHKS-UHFFFAOYSA-N 1 2 371.828 2.765 20 30 FFEDLO Cc1cc2occ(C(=O)N(CCC#N)CC[NH+]3CCOCC3)c2cc1C ZINC000184320382 510261155 /nfs/dbraw/zinc/26/11/55/510261155.db2.gz IDELHOJBFDIQQU-UHFFFAOYSA-N 1 2 355.438 2.738 20 30 FFEDLO C=CCNC(=O)C[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000181123961 510281296 /nfs/dbraw/zinc/28/12/96/510281296.db2.gz ADXBIJNKTTVIFP-UHFFFAOYSA-N 1 2 366.284 2.964 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CCN(Cc2c(C)[nH+]c3cc(C)ccn32)CC1 ZINC000194393989 510342351 /nfs/dbraw/zinc/34/23/51/510342351.db2.gz PXCQDYYJLKTOBX-SFHVURJKSA-N 1 2 370.497 2.577 20 30 FFEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000194393989 510342356 /nfs/dbraw/zinc/34/23/56/510342356.db2.gz PXCQDYYJLKTOBX-SFHVURJKSA-N 1 2 370.497 2.577 20 30 FFEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)cs1 ZINC000178144640 510455531 /nfs/dbraw/zinc/45/55/31/510455531.db2.gz DRPIJZWRSCZLDD-CHWSQXEVSA-N 1 2 360.483 2.591 20 30 FFEDLO CCN(CC)C(=O)[C@H](C)O[NH+]=C(N)c1cccc(OCc2cccnc2)c1 ZINC000178155857 510461787 /nfs/dbraw/zinc/46/17/87/510461787.db2.gz IPTYDBIESZFMIS-HNNXBMFYSA-N 1 2 370.453 2.554 20 30 FFEDLO CS[C@@H]1CCCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000269700109 510518281 /nfs/dbraw/zinc/51/82/81/510518281.db2.gz YHRMUKSUNJIUTR-UKRRQHHQSA-N 1 2 370.478 2.729 20 30 FFEDLO CS[C@@H]1CCCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000269700109 510518293 /nfs/dbraw/zinc/51/82/93/510518293.db2.gz YHRMUKSUNJIUTR-UKRRQHHQSA-N 1 2 370.478 2.729 20 30 FFEDLO N#Cc1cccc(OCCC[NH+]2CCN(C(=O)c3cccs3)CC2)c1 ZINC000178293827 510531602 /nfs/dbraw/zinc/53/16/02/510531602.db2.gz FFPRHBHEZFNKPN-UHFFFAOYSA-N 1 2 355.463 2.847 20 30 FFEDLO C#CCOc1ccccc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000188127867 510607817 /nfs/dbraw/zinc/60/78/17/510607817.db2.gz LMTFBTNOODNGFN-UHFFFAOYSA-N 1 2 350.422 2.884 20 30 FFEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000178600938 510680779 /nfs/dbraw/zinc/68/07/79/510680779.db2.gz UTERBCIHVZQKFG-UHFFFAOYSA-N 1 2 361.405 2.613 20 30 FFEDLO C=C[C@@H](CC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1)c1ccccc1 ZINC000195184370 510704740 /nfs/dbraw/zinc/70/47/40/510704740.db2.gz NQMHZYFXZMSIBN-NLMOZGTASA-N 1 2 372.509 2.732 20 30 FFEDLO CCC1(CC)C[N@H+](CCOc2ccc(C#N)cc2OC)CC[S@]1=O ZINC000185261267 510777390 /nfs/dbraw/zinc/77/73/90/510777390.db2.gz XSNKBJOJBXAJDQ-XMMPIXPASA-N 1 2 350.484 2.569 20 30 FFEDLO CCC1(CC)C[N@@H+](CCOc2ccc(C#N)cc2OC)CC[S@]1=O ZINC000185261267 510777399 /nfs/dbraw/zinc/77/73/99/510777399.db2.gz XSNKBJOJBXAJDQ-XMMPIXPASA-N 1 2 350.484 2.569 20 30 FFEDLO C#CCC[NH+]1CCN(C(=O)c2csc(-c3c(F)cccc3F)n2)CC1 ZINC000263690748 510792034 /nfs/dbraw/zinc/79/20/34/510792034.db2.gz IEERETKPBZVAOQ-UHFFFAOYSA-N 1 2 361.417 2.869 20 30 FFEDLO CC(=O)N1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C(C)(C)C1 ZINC000182213845 510817429 /nfs/dbraw/zinc/81/74/29/510817429.db2.gz FETQQMMHNWBURQ-UHFFFAOYSA-N 1 2 354.372 2.879 20 30 FFEDLO CC(=O)N1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C(C)(C)C1 ZINC000182213845 510817432 /nfs/dbraw/zinc/81/74/32/510817432.db2.gz FETQQMMHNWBURQ-UHFFFAOYSA-N 1 2 354.372 2.879 20 30 FFEDLO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nnc2ccccn21 ZINC000172612980 510821257 /nfs/dbraw/zinc/82/12/57/510821257.db2.gz XYLNBODWLHBMGM-NSHDSACASA-N 1 2 354.801 2.544 20 30 FFEDLO C[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@H]1n1cc[nH+]c1 ZINC000247699921 510868773 /nfs/dbraw/zinc/86/87/73/510868773.db2.gz UMCVHVIYKXZGMN-IUODEOHRSA-N 1 2 364.858 2.680 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000329937778 510882362 /nfs/dbraw/zinc/88/23/62/510882362.db2.gz LSBNPDBDDPYMIE-FPSMNIFISA-N 1 2 361.534 2.878 20 30 FFEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000329937778 510882369 /nfs/dbraw/zinc/88/23/69/510882369.db2.gz LSBNPDBDDPYMIE-FPSMNIFISA-N 1 2 361.534 2.878 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000329985944 510894130 /nfs/dbraw/zinc/89/41/30/510894130.db2.gz RNEIQXSEQWHJPQ-LNLFQRSKSA-N 1 2 367.440 2.861 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000329985944 510894137 /nfs/dbraw/zinc/89/41/37/510894137.db2.gz RNEIQXSEQWHJPQ-LNLFQRSKSA-N 1 2 367.440 2.861 20 30 FFEDLO CCN1CCN(C(=O)Nc2nc3c(s2)CCCC3)C[C@H]1c1[nH]cc[nH+]1 ZINC000330049453 510906156 /nfs/dbraw/zinc/90/61/56/510906156.db2.gz JMEMMFMVPQKFCR-ZDUSSCGKSA-N 1 2 360.487 2.669 20 30 FFEDLO C[C@@H]1C[N@H+](CC(=O)NCCc2cccc3cccnc32)C[C@@]2(CCOC2)O1 ZINC000330092457 510914168 /nfs/dbraw/zinc/91/41/68/510914168.db2.gz YSLPUVCXKRKHNM-IIBYNOLFSA-N 1 2 369.465 2.614 20 30 FFEDLO C[C@@H]1C[N@@H+](CC(=O)NCCc2cccc3cccnc32)C[C@@]2(CCOC2)O1 ZINC000330092457 510914171 /nfs/dbraw/zinc/91/41/71/510914171.db2.gz YSLPUVCXKRKHNM-IIBYNOLFSA-N 1 2 369.465 2.614 20 30 FFEDLO CN(Cc1ccco1)C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285479218 510923589 /nfs/dbraw/zinc/92/35/89/510923589.db2.gz LKFKOKIBDCDJCZ-UHFFFAOYSA-N 1 2 371.412 2.792 20 30 FFEDLO CC[C@@H]1C[N@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@@]2(CCOC2)O1 ZINC000330148603 510925662 /nfs/dbraw/zinc/92/56/62/510925662.db2.gz JOKKKJVZFWTMCJ-WFXMFSGNSA-N 1 2 367.490 2.706 20 30 FFEDLO CC[C@@H]1C[N@@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@@]2(CCOC2)O1 ZINC000330148603 510925665 /nfs/dbraw/zinc/92/56/65/510925665.db2.gz JOKKKJVZFWTMCJ-WFXMFSGNSA-N 1 2 367.490 2.706 20 30 FFEDLO C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2C)c1cc2ccccc2o1 ZINC000330237596 510943685 /nfs/dbraw/zinc/94/36/85/510943685.db2.gz AOUHGZISMYUHLR-BFIPOCKSSA-N 1 2 357.454 2.854 20 30 FFEDLO C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C)c1cc2ccccc2o1 ZINC000330237596 510943687 /nfs/dbraw/zinc/94/36/87/510943687.db2.gz AOUHGZISMYUHLR-BFIPOCKSSA-N 1 2 357.454 2.854 20 30 FFEDLO C[C@H](NC(=O)[C@H](C)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)c1cc2ccccc2o1 ZINC000330237596 510943693 /nfs/dbraw/zinc/94/36/93/510943693.db2.gz AOUHGZISMYUHLR-BFIPOCKSSA-N 1 2 357.454 2.854 20 30 FFEDLO C[C@H](NC(=O)[C@H](C)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)c1cc2ccccc2o1 ZINC000330237596 510943699 /nfs/dbraw/zinc/94/36/99/510943699.db2.gz AOUHGZISMYUHLR-BFIPOCKSSA-N 1 2 357.454 2.854 20 30 FFEDLO Cc1nc([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)ccc1Br ZINC000330247349 510947131 /nfs/dbraw/zinc/94/71/31/510947131.db2.gz LQXDWACPHXSOJQ-SNVBAGLBSA-N 1 2 350.220 2.690 20 30 FFEDLO Cc1nc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccc1Br ZINC000330247349 510947134 /nfs/dbraw/zinc/94/71/34/510947134.db2.gz LQXDWACPHXSOJQ-SNVBAGLBSA-N 1 2 350.220 2.690 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000330247069 510947161 /nfs/dbraw/zinc/94/71/61/510947161.db2.gz LONFBEWLIQRQJC-KFWWJZLASA-N 1 2 374.489 2.518 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000330247069 510947167 /nfs/dbraw/zinc/94/71/67/510947167.db2.gz LONFBEWLIQRQJC-KFWWJZLASA-N 1 2 374.489 2.518 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2ccnc(OC3CCC3)c2)CCO1 ZINC000330320668 510963275 /nfs/dbraw/zinc/96/32/75/510963275.db2.gz FHIGKJDOWZNJJP-PBHICJAKSA-N 1 2 356.426 2.971 20 30 FFEDLO CC[NH+]=C([O-])N(C)c1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000330328567 510964270 /nfs/dbraw/zinc/96/42/70/510964270.db2.gz LUTNMFDSTIFGQB-SJORKVTESA-N 1 2 359.474 2.819 20 30 FFEDLO CC[NH+]=C([O-])N(C)c1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000330328567 510964272 /nfs/dbraw/zinc/96/42/72/510964272.db2.gz LUTNMFDSTIFGQB-SJORKVTESA-N 1 2 359.474 2.819 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2CCCN2c2nccs2)CCO1 ZINC000330331306 510966036 /nfs/dbraw/zinc/96/60/36/510966036.db2.gz NZNWAMQJJZHJFR-NFAWXSAZSA-N 1 2 361.471 2.722 20 30 FFEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)NCc2ccc3ccccc3c2)CCN1C ZINC000330330539 510966061 /nfs/dbraw/zinc/96/60/61/510966061.db2.gz NKSUNJCVERWOJI-IBGZPJMESA-N 1 2 363.465 2.976 20 30 FFEDLO Cc1cnc([C@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C2CC2)s1 ZINC000330341264 510969608 /nfs/dbraw/zinc/96/96/08/510969608.db2.gz ZAPLEXWFQPNBMY-LSDHHAIUSA-N 1 2 374.514 2.539 20 30 FFEDLO CCN1CCN(C(=O)Nc2cccc(C(=O)NC)c2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000330354563 510972493 /nfs/dbraw/zinc/97/24/93/510972493.db2.gz PRESBZQDVXBTDR-INIZCTEOSA-N 1 2 370.457 2.577 20 30 FFEDLO CCN1CCN(C(=O)Nc2cccc(C(=O)NC)c2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330354657 510972959 /nfs/dbraw/zinc/97/29/59/510972959.db2.gz PRESBZQDVXBTDR-MRXNPFEDSA-N 1 2 370.457 2.577 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)N(C)CC(F)(F)F)c[nH+]2)C[C@H](C)O1 ZINC000330384471 510976905 /nfs/dbraw/zinc/97/69/05/510976905.db2.gz ZHXIDOMQYKOCLX-TXEJJXNPSA-N 1 2 360.380 2.603 20 30 FFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000278261282 510986555 /nfs/dbraw/zinc/98/65/55/510986555.db2.gz ZEVSRHCOWZIFMM-HNNXBMFYSA-N 1 2 374.510 2.925 20 30 FFEDLO C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F)[NH+]1CCOCC1 ZINC000330519656 510990712 /nfs/dbraw/zinc/99/07/12/510990712.db2.gz HRSWLRFBPQFVRF-LLVKDONJSA-N 1 2 362.396 2.682 20 30 FFEDLO C=CCOc1ccc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000287060824 511039458 /nfs/dbraw/zinc/03/94/58/511039458.db2.gz UJZVXRBCNBGXDJ-UHFFFAOYSA-N 1 2 366.465 2.674 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000331108086 511042464 /nfs/dbraw/zinc/04/24/64/511042464.db2.gz AOUNWBIOLWUYTM-SPYBWZPUSA-N 1 2 362.449 2.507 20 30 FFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000331108086 511042467 /nfs/dbraw/zinc/04/24/67/511042467.db2.gz AOUNWBIOLWUYTM-SPYBWZPUSA-N 1 2 362.449 2.507 20 30 FFEDLO Cc1ccc(Cl)c(NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)c1C ZINC000331252365 511054668 /nfs/dbraw/zinc/05/46/68/511054668.db2.gz UKNUWJXFLJZGMH-CYBMUJFWSA-N 1 2 368.865 2.670 20 30 FFEDLO Cc1ccc(Cl)c(NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)c1C ZINC000331252365 511054671 /nfs/dbraw/zinc/05/46/71/511054671.db2.gz UKNUWJXFLJZGMH-CYBMUJFWSA-N 1 2 368.865 2.670 20 30 FFEDLO CCOC(=O)Nc1ccc(NC(=O)NCc2[nH+]ccn2CC)cc1C#N ZINC000297770349 511063378 /nfs/dbraw/zinc/06/33/78/511063378.db2.gz MXVDHINHODBURO-UHFFFAOYSA-N 1 2 356.386 2.665 20 30 FFEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000331482380 511065995 /nfs/dbraw/zinc/06/59/95/511065995.db2.gz GLWIDHPARFIHRH-YFVAEKQCSA-N 1 2 371.481 2.592 20 30 FFEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000331482380 511065999 /nfs/dbraw/zinc/06/59/99/511065999.db2.gz GLWIDHPARFIHRH-YFVAEKQCSA-N 1 2 371.481 2.592 20 30 FFEDLO COC(=O)c1c(NC(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)sc2c1CCCC2 ZINC000331628009 511069323 /nfs/dbraw/zinc/06/93/23/511069323.db2.gz PJMYCOAIBNVRCP-WCQYABFASA-N 1 2 361.467 2.634 20 30 FFEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnn(Cc3ccc(F)cc3)c2)n1 ZINC000279483732 511098921 /nfs/dbraw/zinc/09/89/21/511098921.db2.gz XARWZIPTWBIHLE-UHFFFAOYSA-N 1 2 351.429 2.922 20 30 FFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnn(Cc3ccc(F)cc3)c2)n1 ZINC000279483732 511098924 /nfs/dbraw/zinc/09/89/24/511098924.db2.gz XARWZIPTWBIHLE-UHFFFAOYSA-N 1 2 351.429 2.922 20 30 FFEDLO COc1ccc(CC(N)=[NH+]O[C@H](C)C(=O)N2CCc3sccc3C2)cc1 ZINC000282875430 511144984 /nfs/dbraw/zinc/14/49/84/511144984.db2.gz ANAZUEYJTBGLGP-CYBMUJFWSA-N 1 2 373.478 2.561 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000362901045 511266337 /nfs/dbraw/zinc/26/63/37/511266337.db2.gz HZGXHUCXIQPFAF-HUUCEWRRSA-N 1 2 370.453 2.985 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291708548 511305620 /nfs/dbraw/zinc/30/56/20/511305620.db2.gz ILRTXLSGHLDBOM-HXUWFJFHSA-N 1 2 369.490 2.875 20 30 FFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291708548 511305623 /nfs/dbraw/zinc/30/56/23/511305623.db2.gz ILRTXLSGHLDBOM-HXUWFJFHSA-N 1 2 369.490 2.875 20 30 FFEDLO C[C@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000295215981 511324310 /nfs/dbraw/zinc/32/43/10/511324310.db2.gz XGOUFTXAUWZGFS-CQSZACIVSA-N 1 2 355.529 2.696 20 30 FFEDLO C[C@H]1C(=O)CC[C@H]1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000280099812 511335976 /nfs/dbraw/zinc/33/59/76/511335976.db2.gz ZXPORPNPJPBMQC-APWZRJJASA-N 1 2 353.466 2.598 20 30 FFEDLO C[C@H]1C(=O)CC[C@H]1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000280099812 511335981 /nfs/dbraw/zinc/33/59/81/511335981.db2.gz ZXPORPNPJPBMQC-APWZRJJASA-N 1 2 353.466 2.598 20 30 FFEDLO Cc1ccc2c(C(=O)N(CCC#N)CC[NH+]3CCOCC3)csc2c1 ZINC000280153049 511356301 /nfs/dbraw/zinc/35/63/01/511356301.db2.gz BJFHCDFJROLQTD-UHFFFAOYSA-N 1 2 357.479 2.898 20 30 FFEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)S1 ZINC000271941803 511378931 /nfs/dbraw/zinc/37/89/31/511378931.db2.gz BTCNSSGUXOEPJM-UHFFFAOYSA-N 1 2 368.506 2.881 20 30 FFEDLO C[C@H]1OCC[C@]12C[N@H+](CC(=O)c1cn(CCC#N)c3ccccc13)CCO2 ZINC000280351036 511432092 /nfs/dbraw/zinc/43/20/92/511432092.db2.gz IHGLIRNATTZODR-IERDGZPVSA-N 1 2 367.449 2.617 20 30 FFEDLO C[C@H]1OCC[C@]12C[N@@H+](CC(=O)c1cn(CCC#N)c3ccccc13)CCO2 ZINC000280351036 511432095 /nfs/dbraw/zinc/43/20/95/511432095.db2.gz IHGLIRNATTZODR-IERDGZPVSA-N 1 2 367.449 2.617 20 30 FFEDLO C=CC[N@@H+](CCc1ccco1)Cc1csc(N(CCOC)C(C)=O)n1 ZINC000272236102 511474123 /nfs/dbraw/zinc/47/41/23/511474123.db2.gz FPDKOCJMQALJBF-UHFFFAOYSA-N 1 2 363.483 2.966 20 30 FFEDLO C=CC[N@H+](CCc1ccco1)Cc1csc(N(CCOC)C(C)=O)n1 ZINC000272236102 511474130 /nfs/dbraw/zinc/47/41/30/511474130.db2.gz FPDKOCJMQALJBF-UHFFFAOYSA-N 1 2 363.483 2.966 20 30 FFEDLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292172281 511493120 /nfs/dbraw/zinc/49/31/20/511493120.db2.gz LZAJTBCDDHWDNQ-RHSMWYFYSA-N 1 2 368.412 2.881 20 30 FFEDLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292172281 511493122 /nfs/dbraw/zinc/49/31/22/511493122.db2.gz LZAJTBCDDHWDNQ-RHSMWYFYSA-N 1 2 368.412 2.881 20 30 FFEDLO Brc1cc(CO/[NH+]=C/c2ccc(N3CCOCC3)cc2)on1 ZINC000292180323 511495441 /nfs/dbraw/zinc/49/54/41/511495441.db2.gz YBJSGLPRFVOXEV-LICLKQGHSA-N 1 2 366.215 2.824 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[NH+]1CCC(C)(C#N)CC1 ZINC000272561974 511498563 /nfs/dbraw/zinc/49/85/63/511498563.db2.gz LUFWQXZRRFALIR-OAHLLOKOSA-N 1 2 354.454 2.766 20 30 FFEDLO CCN(CC)C(=O)c1ccc(NC(=O)C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000272634684 511501381 /nfs/dbraw/zinc/50/13/81/511501381.db2.gz WSCNGBJCIBPXGN-UHFFFAOYSA-N 1 2 356.470 2.733 20 30 FFEDLO CC1(C#N)CC[NH+](CC(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000272602107 511501459 /nfs/dbraw/zinc/50/14/59/511501459.db2.gz QZLQXAQJXQAXAB-UHFFFAOYSA-N 1 2 369.387 2.826 20 30 FFEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000273306275 511521934 /nfs/dbraw/zinc/52/19/34/511521934.db2.gz LQQDOSSEGXFSOK-JSGCOSHPSA-N 1 2 373.432 2.843 20 30 FFEDLO C=CCN1C(=O)N(CCCNc2cccc[nH+]2)C(=O)[C@H]1Cc1ccccc1 ZINC000349244680 511596410 /nfs/dbraw/zinc/59/64/10/511596410.db2.gz SJDBZRDYXYFBLW-GOSISDBHSA-N 1 2 364.449 2.945 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](N4CCCCC4=O)C3)o2)cc1 ZINC000363573909 511637026 /nfs/dbraw/zinc/63/70/26/511637026.db2.gz YBGLKEHOOGKWOT-KRWDZBQOSA-N 1 2 365.437 2.585 20 30 FFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](N4CCCCC4=O)C3)o2)cc1 ZINC000363573909 511637029 /nfs/dbraw/zinc/63/70/29/511637029.db2.gz YBGLKEHOOGKWOT-KRWDZBQOSA-N 1 2 365.437 2.585 20 30 FFEDLO NC(=[NH+]OCc1nc(-c2cc(Br)cs2)no1)[C@@H]1CCCO1 ZINC000284477204 511738820 /nfs/dbraw/zinc/73/88/20/511738820.db2.gz RNWSBBDNWRUAQH-QMMMGPOBSA-N 1 2 373.232 2.528 20 30 FFEDLO C=CCC[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1)c1ccccc1 ZINC000284518543 511755704 /nfs/dbraw/zinc/75/57/04/511755704.db2.gz JWAONEHWACQTFE-GOSISDBHSA-N 1 2 366.465 2.588 20 30 FFEDLO COC(=O)N1CCN(c2ccc(Nc3ncc(C#N)cc3Cl)c[nH+]2)CC1 ZINC000292888961 511760212 /nfs/dbraw/zinc/76/02/12/511760212.db2.gz VQLKVVPNJZMPSD-UHFFFAOYSA-N 1 2 372.816 2.634 20 30 FFEDLO N#Cc1cccc(OCCC[N@H+]2CCc3c(sc4ncnc(N)c34)C2)c1 ZINC000363831996 511794280 /nfs/dbraw/zinc/79/42/80/511794280.db2.gz VPEWYQGRQKLJGU-UHFFFAOYSA-N 1 2 365.462 2.972 20 30 FFEDLO N#Cc1cccc(OCCC[N@@H+]2CCc3c(sc4ncnc(N)c34)C2)c1 ZINC000363831996 511794286 /nfs/dbraw/zinc/79/42/86/511794286.db2.gz VPEWYQGRQKLJGU-UHFFFAOYSA-N 1 2 365.462 2.972 20 30 FFEDLO N#Cc1cc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)cnc1C(F)(F)F ZINC000293072814 511828955 /nfs/dbraw/zinc/82/89/55/511828955.db2.gz DBNXGNZMPFISAS-GFCCVEGCSA-N 1 2 365.315 2.558 20 30 FFEDLO N#Cc1cc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)cnc1C(F)(F)F ZINC000293072814 511828960 /nfs/dbraw/zinc/82/89/60/511828960.db2.gz DBNXGNZMPFISAS-GFCCVEGCSA-N 1 2 365.315 2.558 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cnc(C(F)(F)F)c(C#N)c3)n2)C1 ZINC000293083544 511833466 /nfs/dbraw/zinc/83/34/66/511833466.db2.gz DIJDFEKBZFQXJH-GFCCVEGCSA-N 1 2 367.331 2.804 20 30 FFEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cnc(C(F)(F)F)c(C#N)c3)n2)C1 ZINC000293083544 511833471 /nfs/dbraw/zinc/83/34/71/511833471.db2.gz DIJDFEKBZFQXJH-GFCCVEGCSA-N 1 2 367.331 2.804 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1)CCC2 ZINC000328643179 511904466 /nfs/dbraw/zinc/90/44/66/511904466.db2.gz FHIIMUHBZXALRD-JZXOWHBKSA-N 1 2 367.453 2.640 20 30 FFEDLO Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328726853 511922235 /nfs/dbraw/zinc/92/22/35/511922235.db2.gz ZWYBWBVMTQMJCN-RTBURBONSA-N 1 2 370.428 2.756 20 30 FFEDLO Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328726853 511922243 /nfs/dbraw/zinc/92/22/43/511922243.db2.gz ZWYBWBVMTQMJCN-RTBURBONSA-N 1 2 370.428 2.756 20 30 FFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1CSCN1C(=O)C1CCC1)CCC2 ZINC000328820313 511936218 /nfs/dbraw/zinc/93/62/18/511936218.db2.gz OPNKYMXGJPSYPT-LSDHHAIUSA-N 1 2 362.499 2.727 20 30 FFEDLO CC[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1nnc2n1CCCCC2 ZINC000328876301 511944228 /nfs/dbraw/zinc/94/42/28/511944228.db2.gz SKRGXWSJSYMZRT-GJZGRUSLSA-N 1 2 371.489 2.593 20 30 FFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000296928979 511954780 /nfs/dbraw/zinc/95/47/80/511954780.db2.gz BBWLVMGWEBVNFG-ZDUSSCGKSA-N 1 2 372.270 2.994 20 30 FFEDLO Cc1nc(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)c(C)s1 ZINC000328995758 511964383 /nfs/dbraw/zinc/96/43/83/511964383.db2.gz FLDZPKAZRFDHPJ-CXAGYDPISA-N 1 2 373.482 2.693 20 30 FFEDLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c(C)c1 ZINC000329014263 511967213 /nfs/dbraw/zinc/96/72/13/511967213.db2.gz FSCOFZUCVOQIGR-HUUCEWRRSA-N 1 2 358.442 2.501 20 30 FFEDLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+]2CCN3C(=O)CC[C@@H]3C2)c(C)c1 ZINC000329014263 511967220 /nfs/dbraw/zinc/96/72/20/511967220.db2.gz FSCOFZUCVOQIGR-HUUCEWRRSA-N 1 2 358.442 2.501 20 30 FFEDLO CC(=O)N1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2sc(C)nc2C)CC1 ZINC000329138437 511991074 /nfs/dbraw/zinc/99/10/74/511991074.db2.gz DTIHMIBMLYJOBS-GFCCVEGCSA-N 1 2 352.504 2.720 20 30 FFEDLO CC(=O)N1CCC(NC(=O)C[N@H+](C)[C@H](C)c2sc(C)nc2C)CC1 ZINC000329138437 511991079 /nfs/dbraw/zinc/99/10/79/511991079.db2.gz DTIHMIBMLYJOBS-GFCCVEGCSA-N 1 2 352.504 2.720 20 30 FFEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N[C@@H]2CCC(C)(C)C2)CCC(=O)N1C1CC1 ZINC000329155273 511995304 /nfs/dbraw/zinc/99/53/04/511995304.db2.gz BPBKUVNTUFMDMI-DDUZABMNSA-N 1 2 373.501 2.697 20 30 FFEDLO O=C(NCc1ccn(-c2ccccc2)n1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329228078 512009192 /nfs/dbraw/zinc/00/91/92/512009192.db2.gz BLVLQGWGWYLJQZ-LJQANCHMSA-N 1 2 354.454 2.972 20 30 FFEDLO O=C(NCc1ccn(-c2ccccc2)n1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329228078 512009199 /nfs/dbraw/zinc/00/91/99/512009199.db2.gz BLVLQGWGWYLJQZ-LJQANCHMSA-N 1 2 354.454 2.972 20 30 FFEDLO CC[C@@H]1[C@H](C)CCN1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329240229 512011880 /nfs/dbraw/zinc/01/18/80/512011880.db2.gz QUZMPCVTHLVJOQ-NVQRDWNXSA-N 1 2 373.501 2.649 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)C1(N3CCOCC3)CCC1)C2 ZINC000329323973 512027348 /nfs/dbraw/zinc/02/73/48/512027348.db2.gz HVKAHHGFIRSVKT-HNNXBMFYSA-N 1 2 360.502 2.707 20 30 FFEDLO CCC[C@@H]1CCCCN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329403678 512040797 /nfs/dbraw/zinc/04/07/97/512040797.db2.gz CEVVIAFROMVCHR-QGZVFWFLSA-N 1 2 373.501 2.669 20 30 FFEDLO CC[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CCS1 ZINC000329410239 512040814 /nfs/dbraw/zinc/04/08/14/512040814.db2.gz BSEQGEPEZUGHTN-HUUCEWRRSA-N 1 2 352.504 2.629 20 30 FFEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCSC[C@H](C)C1)C1CCOCC1 ZINC000329510117 512060714 /nfs/dbraw/zinc/06/07/14/512060714.db2.gz XJNGGIODESSPDB-GDBMZVCRSA-N 1 2 366.531 2.970 20 30 FFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)Nc2sccc2C#N)CC1 ZINC000293714602 512060776 /nfs/dbraw/zinc/06/07/76/512060776.db2.gz MDDSCDYHNAATKG-LBPRGKRZSA-N 1 2 374.491 2.525 20 30 FFEDLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000329513344 512061122 /nfs/dbraw/zinc/06/11/22/512061122.db2.gz LJZJZUFWWVOKDL-MRXNPFEDSA-N 1 2 355.442 2.793 20 30 FFEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@@H]2c2nc(C)cs2)C1 ZINC000329533405 512066251 /nfs/dbraw/zinc/06/62/51/512066251.db2.gz XZEYQABXMOITJD-HZPDHXFCSA-N 1 2 364.515 2.946 20 30 FFEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCCC[C@@H]2c2nc(C)cs2)C1 ZINC000329533405 512066255 /nfs/dbraw/zinc/06/62/55/512066255.db2.gz XZEYQABXMOITJD-HZPDHXFCSA-N 1 2 364.515 2.946 20 30 FFEDLO Cc1ccc(NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)s1 ZINC000329651569 512082668 /nfs/dbraw/zinc/08/26/68/512082668.db2.gz KVXVFUBRKQJZNX-STQMWFEESA-N 1 2 351.451 2.729 20 30 FFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000329801435 512098901 /nfs/dbraw/zinc/09/89/01/512098901.db2.gz JOVJGOOMDMGKDI-IACUBPJLSA-N 1 2 374.407 2.995 20 30 FFEDLO CC1(C)C[N@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)[C@@H]1[C@H]1CCCO1 ZINC000329851273 512103876 /nfs/dbraw/zinc/10/38/76/512103876.db2.gz QRJCZPHNYIOGAP-LSBZLQRGSA-N 1 2 360.454 2.672 20 30 FFEDLO CC1(C)C[N@@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)[C@@H]1[C@H]1CCCO1 ZINC000329851273 512103877 /nfs/dbraw/zinc/10/38/77/512103877.db2.gz QRJCZPHNYIOGAP-LSBZLQRGSA-N 1 2 360.454 2.672 20 30 FFEDLO O=C(C[N@@H+]1CCO[C@@]2(CCOC2)C1)NCCc1cccc(Cl)c1Cl ZINC000329891280 512105738 /nfs/dbraw/zinc/10/57/38/512105738.db2.gz HQAHJDUTWFRQKJ-KRWDZBQOSA-N 1 2 373.280 2.984 20 30 FFEDLO O=C(C[N@H+]1CCO[C@@]2(CCOC2)C1)NCCc1cccc(Cl)c1Cl ZINC000329891280 512105740 /nfs/dbraw/zinc/10/57/40/512105740.db2.gz HQAHJDUTWFRQKJ-KRWDZBQOSA-N 1 2 373.280 2.984 20 30 FFEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000411196048 512515282 /nfs/dbraw/zinc/51/52/82/512515282.db2.gz WVNFJHUAHITJPK-LLVKDONJSA-N 1 2 361.339 2.590 20 30 FFEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000411196048 512515283 /nfs/dbraw/zinc/51/52/83/512515283.db2.gz WVNFJHUAHITJPK-LLVKDONJSA-N 1 2 361.339 2.590 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000377999029 512543141 /nfs/dbraw/zinc/54/31/41/512543141.db2.gz XRSWSVGSRFSAMF-PXNSSMCTSA-N 1 2 353.470 2.765 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000377999029 512543143 /nfs/dbraw/zinc/54/31/43/512543143.db2.gz XRSWSVGSRFSAMF-PXNSSMCTSA-N 1 2 353.470 2.765 20 30 FFEDLO Cc1sc(NC(=O)C[NH+]2CCC(Oc3cnccn3)CC2)c(C#N)c1C ZINC000369724075 512573666 /nfs/dbraw/zinc/57/36/66/512573666.db2.gz SZFWDDODIHUGHP-UHFFFAOYSA-N 1 2 371.466 2.509 20 30 FFEDLO N#Cc1ccc(C2=CC[N@H+](Cc3cn(Cc4cccnc4)nn3)CC2)cc1 ZINC000371810033 512584107 /nfs/dbraw/zinc/58/41/07/512584107.db2.gz QGZXGFOOXMKDSF-UHFFFAOYSA-N 1 2 356.433 2.882 20 30 FFEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3cn(Cc4cccnc4)nn3)CC2)cc1 ZINC000371810033 512584109 /nfs/dbraw/zinc/58/41/09/512584109.db2.gz QGZXGFOOXMKDSF-UHFFFAOYSA-N 1 2 356.433 2.882 20 30 FFEDLO N#CCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000411338700 512587915 /nfs/dbraw/zinc/58/79/15/512587915.db2.gz XICYPYGBYDEFNU-UHFFFAOYSA-N 1 2 353.382 2.734 20 30 FFEDLO N#CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000411338700 512587921 /nfs/dbraw/zinc/58/79/21/512587921.db2.gz XICYPYGBYDEFNU-UHFFFAOYSA-N 1 2 353.382 2.734 20 30 FFEDLO Cc1cc(-c2noc([C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)n2)ccc1F ZINC000371934417 512642443 /nfs/dbraw/zinc/64/24/43/512642443.db2.gz SSNTZKHYEZAVNB-QWHCGFSZSA-N 1 2 359.405 2.595 20 30 FFEDLO C=CCOc1ccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000376252386 512733642 /nfs/dbraw/zinc/73/36/42/512733642.db2.gz VLZPZHPSAXDFSY-KRWDZBQOSA-N 1 2 352.438 2.725 20 30 FFEDLO CN(C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)C1(C#N)CCCCC1 ZINC000376594758 512889499 /nfs/dbraw/zinc/88/94/99/512889499.db2.gz HGDAFHLWECGEGP-UHFFFAOYSA-N 1 2 365.481 2.624 20 30 FFEDLO N#Cc1ccccc1-c1ccccc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370416102 512922943 /nfs/dbraw/zinc/92/29/43/512922943.db2.gz RLILFWONDZLXKM-GOSISDBHSA-N 1 2 361.445 2.772 20 30 FFEDLO Cc1cn2c([nH+]1)CN(CC(=O)N(CCC#N)c1ccc(C)c(C)c1)CC2 ZINC000374664324 512943761 /nfs/dbraw/zinc/94/37/61/512943761.db2.gz PTCBEHUQDRRQON-UHFFFAOYSA-N 1 2 351.454 2.571 20 30 FFEDLO C=CCc1ccc(OCC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c(OC)c1 ZINC000368464541 512960737 /nfs/dbraw/zinc/96/07/37/512960737.db2.gz GLDZUJUZBWQCBS-UHFFFAOYSA-N 1 2 369.465 2.994 20 30 FFEDLO COc1cc(-c2noc(C[N@H+]3CC=C(c4ccc(C#N)cc4)CC3)n2)ncn1 ZINC000450652759 513291679 /nfs/dbraw/zinc/29/16/79/513291679.db2.gz OYMRUBRSFOBGLS-UHFFFAOYSA-N 1 2 374.404 2.696 20 30 FFEDLO COc1cc(-c2noc(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)n2)ncn1 ZINC000450652759 513291682 /nfs/dbraw/zinc/29/16/82/513291682.db2.gz OYMRUBRSFOBGLS-UHFFFAOYSA-N 1 2 374.404 2.696 20 30 FFEDLO CC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1[nH]cc[nH+]1 ZINC000450672094 513298656 /nfs/dbraw/zinc/29/86/56/513298656.db2.gz JSEIVZBVKSWWCH-SWLSCSKDSA-N 1 2 371.828 2.555 20 30 FFEDLO C=C(C)[C@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000434369271 513303051 /nfs/dbraw/zinc/30/30/51/513303051.db2.gz ZXESKOIICSLBEW-KSSFIOAISA-N 1 2 367.440 2.944 20 30 FFEDLO N#Cc1cc(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccc1Cl ZINC000446696393 513317037 /nfs/dbraw/zinc/31/70/37/513317037.db2.gz IWUGHDYZHJHAHX-UHFFFAOYSA-N 1 2 365.780 2.975 20 30 FFEDLO Cc1cc(NS(=O)(=O)c2ccc(C#N)c(C)c2)n(-c2cc[nH+]cc2)n1 ZINC000446823810 513343753 /nfs/dbraw/zinc/34/37/53/513343753.db2.gz PQBKTNVEAJESSZ-UHFFFAOYSA-N 1 2 353.407 2.557 20 30 FFEDLO N#Cc1cnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)c(F)c1 ZINC000413037789 513398536 /nfs/dbraw/zinc/39/85/36/513398536.db2.gz RPRUBAKBIONIIY-UHFFFAOYSA-N 1 2 360.820 2.947 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCCN(c3ccccc3Cl)CC2)cc1 ZINC000451005549 513451813 /nfs/dbraw/zinc/45/18/13/513451813.db2.gz YKMWOHCLNUTMKF-IBGZPJMESA-N 1 2 368.868 2.950 20 30 FFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCCN(c3ccccc3Cl)CC2)cc1 ZINC000451005549 513451814 /nfs/dbraw/zinc/45/18/14/513451814.db2.gz YKMWOHCLNUTMKF-IBGZPJMESA-N 1 2 368.868 2.950 20 30 FFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435445043 513592550 /nfs/dbraw/zinc/59/25/50/513592550.db2.gz CEEKSQWPHUYXIL-UHFFFAOYSA-N 1 2 372.475 2.685 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451275442 513645039 /nfs/dbraw/zinc/64/50/39/513645039.db2.gz YKEZYEWDPSEXFQ-QFIXIFRTSA-N 1 2 367.424 2.685 20 30 FFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451275442 513645046 /nfs/dbraw/zinc/64/50/46/513645046.db2.gz YKEZYEWDPSEXFQ-QFIXIFRTSA-N 1 2 367.424 2.685 20 30 FFEDLO CC(=O)c1ccc(C#N)cc1N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000418945759 513699026 /nfs/dbraw/zinc/69/90/26/513699026.db2.gz LXEFTAURMBEFJB-HXUWFJFHSA-N 1 2 357.454 2.661 20 30 FFEDLO N#CCC1(CS(=O)(=O)NCc2[nH+]ccn2CCCc2ccccc2)CC1 ZINC000451379958 513712188 /nfs/dbraw/zinc/71/21/88/513712188.db2.gz CMFRZOLRXPJWAV-UHFFFAOYSA-N 1 2 372.494 2.629 20 30 FFEDLO COc1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)ccc1C#N ZINC000442811616 513784852 /nfs/dbraw/zinc/78/48/52/513784852.db2.gz PAWJSPNTTUZZPG-UHFFFAOYSA-N 1 2 350.397 2.900 20 30 FFEDLO C[C@H](c1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1)[NH+]1CCOCC1 ZINC000442961833 513829088 /nfs/dbraw/zinc/82/90/88/513829088.db2.gz JMIQUSHRJJKHKL-CQSZACIVSA-N 1 2 351.406 2.909 20 30 FFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000443013102 513842402 /nfs/dbraw/zinc/84/24/02/513842402.db2.gz JYBXPAMKUSEOJQ-UHFFFAOYSA-N 1 2 372.837 2.876 20 30 FFEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCC3(CC#N)CC3)CC2)c1 ZINC000431197475 513849814 /nfs/dbraw/zinc/84/98/14/513849814.db2.gz KLMLGRLWWQRKCE-INIZCTEOSA-N 1 2 356.470 2.777 20 30 FFEDLO CCc1oc(C(=O)OC)cc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000426372596 513918975 /nfs/dbraw/zinc/91/89/75/513918975.db2.gz ORSRCZOXNJPWJI-UHFFFAOYSA-N 1 2 367.449 2.818 20 30 FFEDLO CCc1oc(C(=O)OC)cc1C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000426372596 513918981 /nfs/dbraw/zinc/91/89/81/513918981.db2.gz ORSRCZOXNJPWJI-UHFFFAOYSA-N 1 2 367.449 2.818 20 30 FFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000414134180 513984946 /nfs/dbraw/zinc/98/49/46/513984946.db2.gz HBKFTILEDWIJFU-KRWDZBQOSA-N 1 2 355.394 2.847 20 30 FFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000414134180 513984951 /nfs/dbraw/zinc/98/49/51/513984951.db2.gz HBKFTILEDWIJFU-KRWDZBQOSA-N 1 2 355.394 2.847 20 30 FFEDLO C=CC[NH+]1CCC(NC(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436858570 514010530 /nfs/dbraw/zinc/01/05/30/514010530.db2.gz OSCLAKGWOYFAMA-UHFFFAOYSA-N 1 2 357.223 2.674 20 30 FFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnc(-c2ccccc2F)s1 ZINC000448992090 514011800 /nfs/dbraw/zinc/01/18/00/514011800.db2.gz KHOXVEGWLWVYQR-UHFFFAOYSA-N 1 2 374.485 2.997 20 30 FFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(OCCOC(C)C)CC1 ZINC000451950945 514087943 /nfs/dbraw/zinc/08/79/43/514087943.db2.gz JFQHMTWXUYJRMP-LJQANCHMSA-N 1 2 360.454 2.678 20 30 FFEDLO C=CCC[C@@H](C(=O)N1CCN(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000427097016 514114387 /nfs/dbraw/zinc/11/43/87/514114387.db2.gz NPWLHQXKEQZVDL-LJQANCHMSA-N 1 2 352.482 2.814 20 30 FFEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccccn3)CC2)c(OC(F)F)c1 ZINC000437425310 514158602 /nfs/dbraw/zinc/15/86/02/514158602.db2.gz IAVZLZFOJJBFNU-UHFFFAOYSA-N 1 2 358.392 2.872 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000437485984 514169447 /nfs/dbraw/zinc/16/94/47/514169447.db2.gz SOWAEPUSMRVTSE-FHWLQOOXSA-N 1 2 360.523 2.874 20 30 FFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000437645561 514201809 /nfs/dbraw/zinc/20/18/09/514201809.db2.gz KDHJDFDWSUBZBN-OALUTQOASA-N 1 2 354.454 2.712 20 30 FFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444757709 514318587 /nfs/dbraw/zinc/31/85/87/514318587.db2.gz AGKWPONOUFRADC-INIZCTEOSA-N 1 2 372.900 2.923 20 30 FFEDLO C=CCN(C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1)C1CC1 ZINC000444969355 514378597 /nfs/dbraw/zinc/37/85/97/514378597.db2.gz VLEDMPMGKIIBQD-UHFFFAOYSA-N 1 2 356.470 2.533 20 30 FFEDLO C=CCC1(C(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)CCCC1 ZINC000449843582 514384113 /nfs/dbraw/zinc/38/41/13/514384113.db2.gz RRVSVERGEZAIEK-UHFFFAOYSA-N 1 2 370.497 2.536 20 30 FFEDLO N#Cc1ncccc1S(=O)(=O)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000428380788 514462031 /nfs/dbraw/zinc/46/20/31/514462031.db2.gz MRLKVAMUJJOYPP-UHFFFAOYSA-N 1 2 350.403 2.744 20 30 FFEDLO CC(C)(CC#N)CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000457993209 514520871 /nfs/dbraw/zinc/52/08/71/514520871.db2.gz VEIQEJMSVQIBSQ-UHFFFAOYSA-N 1 2 353.426 2.582 20 30 FFEDLO C=C(C)C[N@H+](Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1)Cc1ccccc1 ZINC000475272822 514598200 /nfs/dbraw/zinc/59/82/00/514598200.db2.gz AXSHBAIHBCXFFG-FQEVSTJZSA-N 1 2 373.522 2.995 20 30 FFEDLO C=C(C)C[N@@H+](Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1)Cc1ccccc1 ZINC000475272822 514598210 /nfs/dbraw/zinc/59/82/10/514598210.db2.gz AXSHBAIHBCXFFG-FQEVSTJZSA-N 1 2 373.522 2.995 20 30 FFEDLO N#Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)s1 ZINC000475434956 514661672 /nfs/dbraw/zinc/66/16/72/514661672.db2.gz MSISEEXQFNQASQ-ZDUSSCGKSA-N 1 2 350.241 2.698 20 30 FFEDLO CCCCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471003306 514711035 /nfs/dbraw/zinc/71/10/35/514711035.db2.gz DLTRBVBJUVQZNW-CRAIPNDOSA-N 1 2 362.905 2.827 20 30 FFEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000470998045 514711318 /nfs/dbraw/zinc/71/13/18/514711318.db2.gz WXZXBOCPWRFTEK-GOSISDBHSA-N 1 2 360.889 2.535 20 30 FFEDLO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000470998860 514712199 /nfs/dbraw/zinc/71/21/99/514712199.db2.gz YDYLALZULRYPJA-QAPCUYQASA-N 1 2 362.905 2.779 20 30 FFEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000471015321 514716971 /nfs/dbraw/zinc/71/69/71/514716971.db2.gz VGRGLCWVKVDJLP-LJQANCHMSA-N 1 2 374.916 2.971 20 30 FFEDLO CC(C)(C)Oc1ccc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C#N ZINC000455762424 514725833 /nfs/dbraw/zinc/72/58/33/514725833.db2.gz BJCCUZREIOHYIH-CALCHBBNSA-N 1 2 372.469 2.720 20 30 FFEDLO CC(C)(C)Oc1ccc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C#N ZINC000455762424 514725841 /nfs/dbraw/zinc/72/58/41/514725841.db2.gz BJCCUZREIOHYIH-CALCHBBNSA-N 1 2 372.469 2.720 20 30 FFEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000475735045 514786711 /nfs/dbraw/zinc/78/67/11/514786711.db2.gz BBEJZTSJLRREKP-HAWMADMCSA-N 1 2 369.490 2.605 20 30 FFEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000475735045 514786717 /nfs/dbraw/zinc/78/67/17/514786717.db2.gz BBEJZTSJLRREKP-HAWMADMCSA-N 1 2 369.490 2.605 20 30 FFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCc2cccc(C#N)c2)c1C ZINC000466816453 514788294 /nfs/dbraw/zinc/78/82/94/514788294.db2.gz YDAWTZLRZURYFS-UHFFFAOYSA-N 1 2 352.438 2.963 20 30 FFEDLO N#C[C@H]1CCC[C@H]1NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000461956993 514805856 /nfs/dbraw/zinc/80/58/56/514805856.db2.gz JFRUAYNJZRWXDK-ZWNOBZJWSA-N 1 2 362.231 2.588 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](CC)CC(=O)NCc1ccc(F)cc1 ZINC000485119624 514922178 /nfs/dbraw/zinc/92/21/78/514922178.db2.gz IFKFSUDKXWPOSF-MRXNPFEDSA-N 1 2 363.477 2.577 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](CC)CC(=O)NCc1ccc(F)cc1 ZINC000485119624 514922186 /nfs/dbraw/zinc/92/21/86/514922186.db2.gz IFKFSUDKXWPOSF-MRXNPFEDSA-N 1 2 363.477 2.577 20 30 FFEDLO CN(CC(C)(C)C#N)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000458605131 514947433 /nfs/dbraw/zinc/94/74/33/514947433.db2.gz DQAGOJTVXDIURX-HOTGVXAUSA-N 1 2 350.413 2.901 20 30 FFEDLO CN(CC(C)(C)C#N)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000458605131 514947444 /nfs/dbraw/zinc/94/74/44/514947444.db2.gz DQAGOJTVXDIURX-HOTGVXAUSA-N 1 2 350.413 2.901 20 30 FFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1[nH+]ccn1C ZINC000503199511 514956078 /nfs/dbraw/zinc/95/60/78/514956078.db2.gz IYPZVMGRWCIHME-CQSZACIVSA-N 1 2 357.483 2.742 20 30 FFEDLO C[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)CC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000458616216 514957586 /nfs/dbraw/zinc/95/75/86/514957586.db2.gz LMGCUJAITBLRTB-HOTGVXAUSA-N 1 2 350.413 2.949 20 30 FFEDLO C[N@H+]1CC[C@H](NC(=O)NCC(C)(C)CC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000458616216 514957606 /nfs/dbraw/zinc/95/76/06/514957606.db2.gz LMGCUJAITBLRTB-HOTGVXAUSA-N 1 2 350.413 2.949 20 30 FFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000462621721 515157467 /nfs/dbraw/zinc/15/74/67/515157467.db2.gz RZOGTMCPLCPLOV-UHFFFAOYSA-N 1 2 366.446 2.624 20 30 FFEDLO N#Cc1ccc(CS(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)c(F)c1 ZINC000481032425 515180740 /nfs/dbraw/zinc/18/07/40/515180740.db2.gz BZGSFAHTOGLRKS-UHFFFAOYSA-N 1 2 370.409 2.503 20 30 FFEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)[C@@H](CC)CN1C(C)=O ZINC000472347359 515237786 /nfs/dbraw/zinc/23/77/86/515237786.db2.gz GPFBHANYDLLFFY-OALUTQOASA-N 1 2 370.497 2.655 20 30 FFEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@@H](CC)CN1C(C)=O ZINC000472347359 515237794 /nfs/dbraw/zinc/23/77/94/515237794.db2.gz GPFBHANYDLLFFY-OALUTQOASA-N 1 2 370.497 2.655 20 30 FFEDLO C[NH+](C)[C@H](CNS(=O)(=O)CC1(C#N)CCC1)c1ccccc1Cl ZINC000472671354 515358836 /nfs/dbraw/zinc/35/88/36/515358836.db2.gz NMOAOIVAGLLHCV-OAHLLOKOSA-N 1 2 355.891 2.556 20 30 FFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1=O ZINC000500012243 515559094 /nfs/dbraw/zinc/55/90/94/515559094.db2.gz NUACBTOLNSMXHT-PZJWPPBQSA-N 1 2 369.509 2.753 20 30 FFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1=O ZINC000500012243 515559100 /nfs/dbraw/zinc/55/91/00/515559100.db2.gz NUACBTOLNSMXHT-PZJWPPBQSA-N 1 2 369.509 2.753 20 30 FFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1=O ZINC000500014989 515560196 /nfs/dbraw/zinc/56/01/96/515560196.db2.gz CMLVKFXTENXDMW-IEBWSBKVSA-N 1 2 357.498 2.531 20 30 FFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1=O ZINC000500014989 515560204 /nfs/dbraw/zinc/56/02/04/515560204.db2.gz CMLVKFXTENXDMW-IEBWSBKVSA-N 1 2 357.498 2.531 20 30 FFEDLO N#C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000454537436 515562183 /nfs/dbraw/zinc/56/21/83/515562183.db2.gz GYOWJVVHTWKDTF-TZMCWYRMSA-N 1 2 359.227 2.589 20 30 FFEDLO O=[N+]([O-])c1cccnc1N1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000459499444 515598259 /nfs/dbraw/zinc/59/82/59/515598259.db2.gz AWUKHTLMVKAWSW-UHFFFAOYSA-N 1 2 356.813 2.817 20 30 FFEDLO C=CCC[C@@H](NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000500299845 515659932 /nfs/dbraw/zinc/65/99/32/515659932.db2.gz CSPSFCLVTWLSMH-GOSISDBHSA-N 1 2 362.433 2.774 20 30 FFEDLO C=C[C@](C)(CCOC)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000473623601 515690662 /nfs/dbraw/zinc/69/06/62/515690662.db2.gz IQVKCBLEVFAXQX-MRXNPFEDSA-N 1 2 366.259 2.942 20 30 FFEDLO O=C(NCC#Cc1cccc(F)c1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000510869409 515694893 /nfs/dbraw/zinc/69/48/93/515694893.db2.gz VQFGUTFGAKBIPW-UHFFFAOYSA-N 1 2 356.788 2.978 20 30 FFEDLO N#CC1(F)CC[NH+](CC(=O)NCCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000510912297 515711827 /nfs/dbraw/zinc/71/18/27/515711827.db2.gz ADSFSTTWBWBNDF-UHFFFAOYSA-N 1 2 373.350 2.572 20 30 FFEDLO N#Cc1ccc(CSc2nnc(NC(=O)CCn3cc[nH+]c3)s2)cc1 ZINC000510944809 515722522 /nfs/dbraw/zinc/72/25/22/515722522.db2.gz KZMVROJSSXCTLA-UHFFFAOYSA-N 1 2 370.463 2.927 20 30 FFEDLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000500469831 515727575 /nfs/dbraw/zinc/72/75/75/515727575.db2.gz QKJBZBXTUPEHKA-IUODEOHRSA-N 1 2 362.861 2.529 20 30 FFEDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000500469831 515727578 /nfs/dbraw/zinc/72/75/78/515727578.db2.gz QKJBZBXTUPEHKA-IUODEOHRSA-N 1 2 362.861 2.529 20 30 FFEDLO CCOC[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000459700975 515751822 /nfs/dbraw/zinc/75/18/22/515751822.db2.gz DVTKUJHJDSBEBD-GOSISDBHSA-N 1 2 367.453 2.573 20 30 FFEDLO CCOC[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000459700975 515751831 /nfs/dbraw/zinc/75/18/31/515751831.db2.gz DVTKUJHJDSBEBD-GOSISDBHSA-N 1 2 367.453 2.573 20 30 FFEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Br)c(F)c1 ZINC000494243036 515782718 /nfs/dbraw/zinc/78/27/18/515782718.db2.gz XIGTVJDZYLYURQ-MRXNPFEDSA-N 1 2 368.250 2.828 20 30 FFEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Br)c(F)c1 ZINC000494243036 515782729 /nfs/dbraw/zinc/78/27/29/515782729.db2.gz XIGTVJDZYLYURQ-MRXNPFEDSA-N 1 2 368.250 2.828 20 30 FFEDLO COc1cc(C#N)ccc1OCCCC(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457290464 515782876 /nfs/dbraw/zinc/78/28/76/515782876.db2.gz MCIQEUTVKLZWHW-UHFFFAOYSA-N 1 2 374.466 2.883 20 30 FFEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Br)c(F)c1 ZINC000494243035 515782942 /nfs/dbraw/zinc/78/29/42/515782942.db2.gz XIGTVJDZYLYURQ-INIZCTEOSA-N 1 2 368.250 2.828 20 30 FFEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Br)c(F)c1 ZINC000494243035 515782952 /nfs/dbraw/zinc/78/29/52/515782952.db2.gz XIGTVJDZYLYURQ-INIZCTEOSA-N 1 2 368.250 2.828 20 30 FFEDLO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccn(C)n1 ZINC000459772675 515796950 /nfs/dbraw/zinc/79/69/50/515796950.db2.gz BYPKRINRJQGJDS-LBPRGKRZSA-N 1 2 357.483 2.911 20 30 FFEDLO CC(C)[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1nc(-c2nc[nH]n2)no1 ZINC000494675186 515920397 /nfs/dbraw/zinc/92/03/97/515920397.db2.gz SOKJSHDDCRQUOW-CQSZACIVSA-N 1 2 356.817 2.847 20 30 FFEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cc(C)c(C#N)cn3)CC2)c1 ZINC000457520183 515939467 /nfs/dbraw/zinc/93/94/67/515939467.db2.gz FKPFHCAERRQMNN-MRXNPFEDSA-N 1 2 364.449 2.789 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000483250864 516002640 /nfs/dbraw/zinc/00/26/40/516002640.db2.gz BYVMEPSKVLUGGW-BXUZGUMPSA-N 1 2 358.269 2.625 20 30 FFEDLO Cc1cccc([C@@H](CNC(=O)NCC(C)(C)CC#N)[NH+]2CCOCC2)c1 ZINC000457668948 516054339 /nfs/dbraw/zinc/05/43/39/516054339.db2.gz AHMQHIUTZDFKQL-GOSISDBHSA-N 1 2 358.486 2.607 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)cc1Cl ZINC000511960893 516095585 /nfs/dbraw/zinc/09/55/85/516095585.db2.gz OEVGLZDDTJBMLN-UHFFFAOYSA-N 1 2 372.837 2.876 20 30 FFEDLO C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507204806 516123870 /nfs/dbraw/zinc/12/38/70/516123870.db2.gz LBVRLQAMUBYQMX-INIZCTEOSA-N 1 2 372.488 2.904 20 30 FFEDLO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](CC4(C#N)CC4)CC3)cc2NC1=O ZINC000501549850 516150720 /nfs/dbraw/zinc/15/07/20/516150720.db2.gz PCENFIQUHZQJFS-CYBMUJFWSA-N 1 2 353.422 2.604 20 30 FFEDLO C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000488199754 516153726 /nfs/dbraw/zinc/15/37/26/516153726.db2.gz NVNKCFULZKVJLB-AWEZNQCLSA-N 1 2 368.399 2.672 20 30 FFEDLO C[C@H]1COC(C)(C)C[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000488199754 516153738 /nfs/dbraw/zinc/15/37/38/516153738.db2.gz NVNKCFULZKVJLB-AWEZNQCLSA-N 1 2 368.399 2.672 20 30 FFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000512200189 516193814 /nfs/dbraw/zinc/19/38/14/516193814.db2.gz WSUHDBSPUIDOFF-HNNXBMFYSA-N 1 2 360.376 2.703 20 30 FFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000512200189 516193828 /nfs/dbraw/zinc/19/38/28/516193828.db2.gz WSUHDBSPUIDOFF-HNNXBMFYSA-N 1 2 360.376 2.703 20 30 FFEDLO Cc1ccc([C@H](CNC(=O)N(C)CC(C)(C)C#N)[NH+]2CCOCC2)cc1 ZINC000457906434 516223442 /nfs/dbraw/zinc/22/34/42/516223442.db2.gz BRCIUFUFFGUDLW-SFHVURJKSA-N 1 2 358.486 2.560 20 30 FFEDLO CCO[C@@H](CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000470475139 516264674 /nfs/dbraw/zinc/26/46/74/516264674.db2.gz GPMVZFMRYMYFGC-FQEVSTJZSA-N 1 2 372.513 2.837 20 30 FFEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C#N)o2)[C@H](C)C1 ZINC000512574956 516306943 /nfs/dbraw/zinc/30/69/43/516306943.db2.gz UVTYXHFJOPDAGM-OAHLLOKOSA-N 1 2 353.422 2.896 20 30 FFEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C#N)o2)[C@H](C)C1 ZINC000512574956 516306946 /nfs/dbraw/zinc/30/69/46/516306946.db2.gz UVTYXHFJOPDAGM-OAHLLOKOSA-N 1 2 353.422 2.896 20 30 FFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000561007485 516332781 /nfs/dbraw/zinc/33/27/81/516332781.db2.gz HTIPLWQOUUNJDQ-MSOLQXFVSA-N 1 2 373.416 2.571 20 30 FFEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ncccc1F ZINC000528324151 516347020 /nfs/dbraw/zinc/34/70/20/516347020.db2.gz VUAKQTUTSJMIIZ-HNNXBMFYSA-N 1 2 367.428 2.681 20 30 FFEDLO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000528395045 516406476 /nfs/dbraw/zinc/40/64/76/516406476.db2.gz ZTQSAGSFLGNBTB-NQIIRXRSSA-N 1 2 352.434 2.680 20 30 FFEDLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000528395045 516406488 /nfs/dbraw/zinc/40/64/88/516406488.db2.gz ZTQSAGSFLGNBTB-NQIIRXRSSA-N 1 2 352.434 2.680 20 30 FFEDLO C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc3cc[nH+]cc32)c1 ZINC000531528754 516510037 /nfs/dbraw/zinc/51/00/37/516510037.db2.gz UOHMGQRQKKUXGM-UHFFFAOYSA-N 1 2 367.430 2.951 20 30 FFEDLO C=CCCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000558024346 516556294 /nfs/dbraw/zinc/55/62/94/516556294.db2.gz XTYDBOORFWNGII-SJORKVTESA-N 1 2 363.889 2.626 20 30 FFEDLO C=CCCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000558024346 516556304 /nfs/dbraw/zinc/55/63/04/516556304.db2.gz XTYDBOORFWNGII-SJORKVTESA-N 1 2 363.889 2.626 20 30 FFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000518194311 516572448 /nfs/dbraw/zinc/57/24/48/516572448.db2.gz HLCFYJYCXXQSFZ-GOSISDBHSA-N 1 2 360.845 2.888 20 30 FFEDLO C=CCN(CC=C)C(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000518250352 516589154 /nfs/dbraw/zinc/58/91/54/516589154.db2.gz BBWICBIYVMOUPE-IBGZPJMESA-N 1 2 366.465 2.558 20 30 FFEDLO CC(C)(C#N)c1ccccc1C[NH+]1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000547847033 516596142 /nfs/dbraw/zinc/59/61/42/516596142.db2.gz KUPMZPNPRULGQC-UHFFFAOYSA-N 1 2 361.511 2.534 20 30 FFEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCCN(c3ccccc3F)CC2)c1 ZINC000513392734 516600533 /nfs/dbraw/zinc/60/05/33/516600533.db2.gz WWUPZEMATKDKLH-UHFFFAOYSA-N 1 2 352.413 2.848 20 30 FFEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCCN(c3ccccc3F)CC2)c1 ZINC000513392734 516600544 /nfs/dbraw/zinc/60/05/44/516600544.db2.gz WWUPZEMATKDKLH-UHFFFAOYSA-N 1 2 352.413 2.848 20 30 FFEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000528847287 516749984 /nfs/dbraw/zinc/74/99/84/516749984.db2.gz VFVHZTONOSXYCA-UHFFFAOYSA-N 1 2 359.470 2.548 20 30 FFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000544465412 516771450 /nfs/dbraw/zinc/77/14/50/516771450.db2.gz PCUBUCBPOZCUQT-UHFFFAOYSA-N 1 2 365.408 2.615 20 30 FFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000544465412 516771459 /nfs/dbraw/zinc/77/14/59/516771459.db2.gz PCUBUCBPOZCUQT-UHFFFAOYSA-N 1 2 365.408 2.615 20 30 FFEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000540941550 516787849 /nfs/dbraw/zinc/78/78/49/516787849.db2.gz YQQLBERZQXXRJK-MRXNPFEDSA-N 1 2 361.854 2.677 20 30 FFEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000540941550 516787860 /nfs/dbraw/zinc/78/78/60/516787860.db2.gz YQQLBERZQXXRJK-MRXNPFEDSA-N 1 2 361.854 2.677 20 30 FFEDLO C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000536551706 516821244 /nfs/dbraw/zinc/82/12/44/516821244.db2.gz YLOXDAPIHJDPFY-UYAOXDASSA-N 1 2 355.388 2.941 20 30 FFEDLO C[N@H+]1CC[C@@H](NC(=O)Cc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000536551706 516821253 /nfs/dbraw/zinc/82/12/53/516821253.db2.gz YLOXDAPIHJDPFY-UYAOXDASSA-N 1 2 355.388 2.941 20 30 FFEDLO N#CCc1ccc(Oc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)cc1 ZINC000518949180 516827711 /nfs/dbraw/zinc/82/77/11/516827711.db2.gz GDJLSJJAOYFWQN-UHFFFAOYSA-N 1 2 365.433 2.607 20 30 FFEDLO N#Cc1cscc1C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000551876912 516923836 /nfs/dbraw/zinc/92/38/36/516923836.db2.gz OMCYNZSNAFRAGZ-UHFFFAOYSA-N 1 2 366.368 2.996 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000532351936 516930377 /nfs/dbraw/zinc/93/03/77/516930377.db2.gz BNGIUEYHGHUQTD-QRWLVFNGSA-N 1 2 371.460 2.589 20 30 FFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000532351936 516930386 /nfs/dbraw/zinc/93/03/86/516930386.db2.gz BNGIUEYHGHUQTD-QRWLVFNGSA-N 1 2 371.460 2.589 20 30 FFEDLO C=C(CC)C[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000536882529 516963415 /nfs/dbraw/zinc/96/34/15/516963415.db2.gz ZDRSLJJBNOWGGD-UHFFFAOYSA-N 1 2 373.316 2.722 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1C#N ZINC000552016718 517030560 /nfs/dbraw/zinc/03/05/60/517030560.db2.gz JVLSSGOBWPJMHO-INIZCTEOSA-N 1 2 356.344 2.624 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1C#N ZINC000552016718 517030568 /nfs/dbraw/zinc/03/05/68/517030568.db2.gz JVLSSGOBWPJMHO-INIZCTEOSA-N 1 2 356.344 2.624 20 30 FFEDLO CCOC(=O)c1cnc(N2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000525779275 517163199 /nfs/dbraw/zinc/16/31/99/517163199.db2.gz XMENCALZFWGCHE-UHFFFAOYSA-N 1 2 356.451 2.514 20 30 FFEDLO C[NH+](C)[C@@H](CNC(=O)N1CCC(CC#N)CC1)c1c(F)cccc1F ZINC000541921987 517292094 /nfs/dbraw/zinc/29/20/94/517292094.db2.gz KDTKUHIJRQGZHM-INIZCTEOSA-N 1 2 350.413 2.903 20 30 FFEDLO CNc1ccc(C#N)cc1NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000552576962 517312315 /nfs/dbraw/zinc/31/23/15/517312315.db2.gz YPXYGEMTSKUDJV-UHFFFAOYSA-N 1 2 372.432 2.985 20 30 FFEDLO C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000562759930 517373093 /nfs/dbraw/zinc/37/30/93/517373093.db2.gz VWZWHEKUGMUMLC-UHFFFAOYSA-N 1 2 373.476 2.737 20 30 FFEDLO CC1(C)C[N@@H+]([C@@H](CNc2ncncc2C#N)c2ccc(Cl)cc2)CCO1 ZINC000563039083 517606261 /nfs/dbraw/zinc/60/62/61/517606261.db2.gz RURAEQVZGNOLPN-KRWDZBQOSA-N 1 2 371.872 2.688 20 30 FFEDLO CC1(C)C[N@H+]([C@@H](CNc2ncncc2C#N)c2ccc(Cl)cc2)CCO1 ZINC000563039083 517606270 /nfs/dbraw/zinc/60/62/70/517606270.db2.gz RURAEQVZGNOLPN-KRWDZBQOSA-N 1 2 371.872 2.688 20 30 FFEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)CCC1 ZINC000560321532 517697385 /nfs/dbraw/zinc/69/73/85/517697385.db2.gz YMXJRGFZLPXEQV-CQSZACIVSA-N 1 2 362.271 2.801 20 30 FFEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)CCC1 ZINC000560321532 517697397 /nfs/dbraw/zinc/69/73/97/517697397.db2.gz YMXJRGFZLPXEQV-CQSZACIVSA-N 1 2 362.271 2.801 20 30 FFEDLO CCc1oc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C(=O)OC ZINC000549784162 517706980 /nfs/dbraw/zinc/70/69/80/517706980.db2.gz TTYGHXHFWVPWPJ-UHFFFAOYSA-N 1 2 367.449 2.818 20 30 FFEDLO CCc1oc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cc1C(=O)OC ZINC000549784162 517706991 /nfs/dbraw/zinc/70/69/91/517706991.db2.gz TTYGHXHFWVPWPJ-UHFFFAOYSA-N 1 2 367.449 2.818 20 30 FFEDLO CCN1CCN(c2ccc(C#N)cc2Br)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530375489 517736678 /nfs/dbraw/zinc/73/66/78/517736678.db2.gz DILAMRXMHUPTCO-OAHLLOKOSA-N 1 2 360.259 2.927 20 30 FFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)NCc1ccc(C#N)s1)C2 ZINC000516560718 517742846 /nfs/dbraw/zinc/74/28/46/517742846.db2.gz SIJHPRGKXLYPCZ-LBPRGKRZSA-N 1 2 357.483 2.928 20 30 FFEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)CCN1Cc1ccc(C#N)cn1 ZINC000563349571 517840649 /nfs/dbraw/zinc/84/06/49/517840649.db2.gz HASZSVZOTGATJC-VGSWGCGISA-N 1 2 374.492 2.952 20 30 FFEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCN1Cc1ccc(C#N)cn1 ZINC000563349571 517840658 /nfs/dbraw/zinc/84/06/58/517840658.db2.gz HASZSVZOTGATJC-VGSWGCGISA-N 1 2 374.492 2.952 20 30 FFEDLO N#CC1(CS(=O)(=O)NCc2[nH+]ccn2CCc2ccccc2)CCCC1 ZINC000546781185 517853873 /nfs/dbraw/zinc/85/38/73/517853873.db2.gz YUIXRIDATQRMFA-UHFFFAOYSA-N 1 2 372.494 2.629 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)CC1(C#N)CCCC1 ZINC000546800089 517862371 /nfs/dbraw/zinc/86/23/71/517862371.db2.gz IPQHDLJTBPISKW-UHFFFAOYSA-N 1 2 360.483 2.738 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)c1C#N ZINC000517011769 517973562 /nfs/dbraw/zinc/97/35/62/517973562.db2.gz YVHSQMQYEMEIOE-ZDUSSCGKSA-N 1 2 369.387 2.661 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)c1C#N ZINC000517011769 517973570 /nfs/dbraw/zinc/97/35/70/517973570.db2.gz YVHSQMQYEMEIOE-ZDUSSCGKSA-N 1 2 369.387 2.661 20 30 FFEDLO COC(=O)c1cccc(C[N@@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)c1C#N ZINC000517011768 517973704 /nfs/dbraw/zinc/97/37/04/517973704.db2.gz YVHSQMQYEMEIOE-CYBMUJFWSA-N 1 2 369.387 2.661 20 30 FFEDLO COC(=O)c1cccc(C[N@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)c1C#N ZINC000517011768 517973709 /nfs/dbraw/zinc/97/37/09/517973709.db2.gz YVHSQMQYEMEIOE-CYBMUJFWSA-N 1 2 369.387 2.661 20 30 FFEDLO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c2[nH+]ccn21 ZINC000563680962 518064729 /nfs/dbraw/zinc/06/47/29/518064729.db2.gz HVHDJRBYZXLAFS-SKDRFNHKSA-N 1 2 370.356 2.758 20 30 FFEDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)o1 ZINC000543545590 518132898 /nfs/dbraw/zinc/13/28/98/518132898.db2.gz IGGBRCBXWJCWDZ-GFCCVEGCSA-N 1 2 361.833 2.937 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000543559329 518137771 /nfs/dbraw/zinc/13/77/71/518137771.db2.gz QPZNVQYOGNCEFV-LMNJBCLMSA-N 1 2 357.498 2.763 20 30 FFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000543559329 518137777 /nfs/dbraw/zinc/13/77/77/518137777.db2.gz QPZNVQYOGNCEFV-LMNJBCLMSA-N 1 2 357.498 2.763 20 30 FFEDLO C=CCCOCCNC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000535281725 518172791 /nfs/dbraw/zinc/17/27/91/518172791.db2.gz XDPANRYUDTYPPF-UHFFFAOYSA-N 1 2 351.878 2.760 20 30 FFEDLO N#Cc1ncccc1SCC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000578452438 518217907 /nfs/dbraw/zinc/21/79/07/518217907.db2.gz JZGAFDFHXFFCEE-UHFFFAOYSA-N 1 2 359.480 2.736 20 30 FFEDLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000578466534 518222887 /nfs/dbraw/zinc/22/28/87/518222887.db2.gz HNCZDGZQKZHPJI-KDOFPFPSSA-N 1 2 373.453 2.949 20 30 FFEDLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000578466534 518222890 /nfs/dbraw/zinc/22/28/90/518222890.db2.gz HNCZDGZQKZHPJI-KDOFPFPSSA-N 1 2 373.453 2.949 20 30 FFEDLO C=CCc1cc(C[NH2+]C(C)(C)c2cc(C(=O)OC)on2)cc(OC)c1O ZINC000575840909 518305266 /nfs/dbraw/zinc/30/52/66/518305266.db2.gz GCAVCVMMBQYVEP-UHFFFAOYSA-N 1 2 360.410 2.929 20 30 FFEDLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000564157323 518328946 /nfs/dbraw/zinc/32/89/46/518328946.db2.gz OTEIXTUBGFDRJE-INIZCTEOSA-N 1 2 362.437 2.744 20 30 FFEDLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000564157323 518328948 /nfs/dbraw/zinc/32/89/48/518328948.db2.gz OTEIXTUBGFDRJE-INIZCTEOSA-N 1 2 362.437 2.744 20 30 FFEDLO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cc(C#N)c(SC)[nH]c1=O)c1ccco1 ZINC000581843827 518464195 /nfs/dbraw/zinc/46/41/95/518464195.db2.gz IUPPRAQFWFWYLG-RISCZKNCSA-N 1 2 374.466 2.833 20 30 FFEDLO N#Cc1cccc(NC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000576225376 518490137 /nfs/dbraw/zinc/49/01/37/518490137.db2.gz HHFSSCFZPNVXSJ-UHFFFAOYSA-N 1 2 355.829 2.956 20 30 FFEDLO CCC[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000576346402 518548694 /nfs/dbraw/zinc/54/86/94/518548694.db2.gz OEGCAOYETQTQLC-HNNXBMFYSA-N 1 2 362.437 2.840 20 30 FFEDLO CCC[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000576346402 518548699 /nfs/dbraw/zinc/54/86/99/518548699.db2.gz OEGCAOYETQTQLC-HNNXBMFYSA-N 1 2 362.437 2.840 20 30 FFEDLO COC(=O)c1ccc(NCc2ccc(N3CCC(C)CC3)[nH+]c2)c(C#N)n1 ZINC000576360420 518555633 /nfs/dbraw/zinc/55/56/33/518555633.db2.gz RKNPFZQIOUEMPS-UHFFFAOYSA-N 1 2 365.437 2.983 20 30 FFEDLO COC(=O)c1cccc(NC2CC[NH+](Cc3nc(C#N)cs3)CC2)c1 ZINC000576392422 518569296 /nfs/dbraw/zinc/56/92/96/518569296.db2.gz KIXISKAVSBQWJB-UHFFFAOYSA-N 1 2 356.451 2.878 20 30 FFEDLO N#C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(OC(F)(F)F)cc1 ZINC000579320977 518622895 /nfs/dbraw/zinc/62/28/95/518622895.db2.gz FWOMNOKPKYUPQT-GXTWGEPZSA-N 1 2 364.327 2.725 20 30 FFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000567708123 518666909 /nfs/dbraw/zinc/66/69/09/518666909.db2.gz YIKOTUZFEOFQOO-GOSISDBHSA-N 1 2 356.397 2.642 20 30 FFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000567708123 518666913 /nfs/dbraw/zinc/66/69/13/518666913.db2.gz YIKOTUZFEOFQOO-GOSISDBHSA-N 1 2 356.397 2.642 20 30 FFEDLO CCn1c2ccccc2nc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1=O ZINC000570581324 518678757 /nfs/dbraw/zinc/67/87/57/518678757.db2.gz NRJUPPBFWUIOMB-UHFFFAOYSA-N 1 2 373.460 2.610 20 30 FFEDLO N#Cc1cccc(-c2cc(C(=O)NCC3CC[NH+](CC(F)F)CC3)on2)c1 ZINC000567750638 518691187 /nfs/dbraw/zinc/69/11/87/518691187.db2.gz DLKSQQPNCVNUBA-UHFFFAOYSA-N 1 2 374.391 2.920 20 30 FFEDLO COc1ccc(Cl)cc1CN1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000570642215 518707780 /nfs/dbraw/zinc/70/77/80/518707780.db2.gz DPYNYHXPGZXNKS-UHFFFAOYSA-N 1 2 356.857 2.933 20 30 FFEDLO COc1ccc(Cl)cc1C[NH+]1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000570642215 518707784 /nfs/dbraw/zinc/70/77/84/518707784.db2.gz DPYNYHXPGZXNKS-UHFFFAOYSA-N 1 2 356.857 2.933 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000582363073 518717742 /nfs/dbraw/zinc/71/77/42/518717742.db2.gz HKQIJJMBQHHDTH-INIZCTEOSA-N 1 2 363.512 2.532 20 30 FFEDLO C=CCn1c([C@@H]2CCCS2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000573555788 518724144 /nfs/dbraw/zinc/72/41/44/518724144.db2.gz CZOBOOPNZUHUTN-HNNXBMFYSA-N 1 2 356.499 2.754 20 30 FFEDLO Cc1nc(CN2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)no1 ZINC000573737473 518811967 /nfs/dbraw/zinc/81/19/67/518811967.db2.gz PJXXKGISXPQHDB-UHFFFAOYSA-N 1 2 365.359 2.586 20 30 FFEDLO COc1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)c(C)c1OC ZINC000570891515 518827468 /nfs/dbraw/zinc/82/74/68/518827468.db2.gz OZNWIRCPGIUYON-UHFFFAOYSA-N 1 2 372.494 2.971 20 30 FFEDLO C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[NH+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000582608333 518836659 /nfs/dbraw/zinc/83/66/59/518836659.db2.gz FVPRUBYJLCCQLY-KBPBESRZSA-N 1 2 358.442 2.934 20 30 FFEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000565360597 518917298 /nfs/dbraw/zinc/91/72/98/518917298.db2.gz MXPHSXDIWKODRV-UHFFFAOYSA-N 1 2 368.462 2.530 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000577111730 518919102 /nfs/dbraw/zinc/91/91/02/518919102.db2.gz NDDYEXMOMFLVDU-JLSDUUJJSA-N 1 2 356.388 2.683 20 30 FFEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000577111730 518919107 /nfs/dbraw/zinc/91/91/07/518919107.db2.gz NDDYEXMOMFLVDU-JLSDUUJJSA-N 1 2 356.388 2.683 20 30 FFEDLO C=CCCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000579995680 518954551 /nfs/dbraw/zinc/95/45/51/518954551.db2.gz XCZVRSCMAHSAIR-SJORKVTESA-N 1 2 363.889 2.674 20 30 FFEDLO C=CCCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000579995680 518954555 /nfs/dbraw/zinc/95/45/55/518954555.db2.gz XCZVRSCMAHSAIR-SJORKVTESA-N 1 2 363.889 2.674 20 30 FFEDLO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000571287113 519020040 /nfs/dbraw/zinc/02/00/40/519020040.db2.gz CJEFLATWCLDKDT-QGZVFWFLSA-N 1 2 368.368 2.843 20 30 FFEDLO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000571287113 519020048 /nfs/dbraw/zinc/02/00/48/519020048.db2.gz CJEFLATWCLDKDT-QGZVFWFLSA-N 1 2 368.368 2.843 20 30 FFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000589827840 519085890 /nfs/dbraw/zinc/08/58/90/519085890.db2.gz QFMBTDMGCHHGPQ-NRFANRHFSA-N 1 2 367.449 2.604 20 30 FFEDLO N#Cc1ccc(N2CCC([NH2+][C@@H](c3ncn[nH]3)C3CCCCC3)CC2)nc1 ZINC000589945697 519110389 /nfs/dbraw/zinc/11/03/89/519110389.db2.gz PZFTXARZBDFTHD-LJQANCHMSA-N 1 2 365.485 2.951 20 30 FFEDLO C[C@H](Sc1ccc(C#N)cc1F)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000565865495 519168738 /nfs/dbraw/zinc/16/87/38/519168738.db2.gz AYFPHOXEQAPHTG-AWEZNQCLSA-N 1 2 370.453 2.922 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000590295913 519189669 /nfs/dbraw/zinc/18/96/69/519189669.db2.gz TZXAJZVQQCBLTF-SFHVURJKSA-N 1 2 359.514 2.626 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2ccccc2OC)CC1 ZINC000590295913 519189673 /nfs/dbraw/zinc/18/96/73/519189673.db2.gz TZXAJZVQQCBLTF-SFHVURJKSA-N 1 2 359.514 2.626 20 30 FFEDLO C[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000568769003 519205839 /nfs/dbraw/zinc/20/58/39/519205839.db2.gz OADIFVBSKRBEFA-LRDDRELGSA-N 1 2 352.276 2.588 20 30 FFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)CCC(C)(C)C#N)CC1 ZINC000574557362 519215709 /nfs/dbraw/zinc/21/57/09/519215709.db2.gz QBPUKNCCXXJZHD-AWEZNQCLSA-N 1 2 355.529 2.696 20 30 FFEDLO C=CCC[C@H](NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000571791787 519277448 /nfs/dbraw/zinc/27/74/48/519277448.db2.gz GBKMUBAKHMQOHW-SFHVURJKSA-N 1 2 366.465 2.939 20 30 FFEDLO C=CCC[C@H](NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000571791787 519277456 /nfs/dbraw/zinc/27/74/56/519277456.db2.gz GBKMUBAKHMQOHW-SFHVURJKSA-N 1 2 366.465 2.939 20 30 FFEDLO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(CC#N)cc2Cl)c2[nH+]ccn21 ZINC000574958060 519421885 /nfs/dbraw/zinc/42/18/85/519421885.db2.gz UNGYTHSIQIHZSH-GWCFXTLKSA-N 1 2 350.831 2.587 20 30 FFEDLO N#CCCC1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000572115703 519452365 /nfs/dbraw/zinc/45/23/65/519452365.db2.gz BYBKMUVMSOUSHY-FQEVSTJZSA-N 1 2 370.497 2.613 20 30 FFEDLO N#CCCC1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000572115703 519452376 /nfs/dbraw/zinc/45/23/76/519452376.db2.gz BYBKMUVMSOUSHY-FQEVSTJZSA-N 1 2 370.497 2.613 20 30 FFEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000590955782 519458145 /nfs/dbraw/zinc/45/81/45/519458145.db2.gz NZEMIROITFMDEQ-SFHVURJKSA-N 1 2 367.428 2.581 20 30 FFEDLO N#Cc1c(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)cccc1C(F)F ZINC000566478011 519512999 /nfs/dbraw/zinc/51/29/99/519512999.db2.gz FMDQPGCUBQQLQG-UHFFFAOYSA-N 1 2 362.424 2.852 20 30 FFEDLO N#Cc1cccc(CCNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000569370671 519516531 /nfs/dbraw/zinc/51/65/31/519516531.db2.gz CRCYSCHPCOOHHU-UHFFFAOYSA-N 1 2 359.433 2.845 20 30 FFEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1cc2ccccc2o1 ZINC000572400310 519596331 /nfs/dbraw/zinc/59/63/31/519596331.db2.gz BUYXLZZKVJNBEO-UHFFFAOYSA-N 1 2 355.419 2.605 20 30 FFEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1cc2ccccc2o1 ZINC000572400310 519596335 /nfs/dbraw/zinc/59/63/35/519596335.db2.gz BUYXLZZKVJNBEO-UHFFFAOYSA-N 1 2 355.419 2.605 20 30 FFEDLO COc1ccc(C(NC(=O)C[NH2+][C@@H](C)CC#N)c2ccc(OC)cc2)cc1 ZINC000602868568 519937951 /nfs/dbraw/zinc/93/79/51/519937951.db2.gz JJOLPRSCOCEXAC-HNNXBMFYSA-N 1 2 367.449 2.801 20 30 FFEDLO COC(=O)c1coc([C@H](C)[NH+]2CCC(Nc3ccccc3C#N)CC2)n1 ZINC000602902180 519961517 /nfs/dbraw/zinc/96/15/17/519961517.db2.gz UWIJQPKVOSBZGN-ZDUSSCGKSA-N 1 2 354.410 2.970 20 30 FFEDLO CCCN(CC(F)(F)F)C(=O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602905585 519962911 /nfs/dbraw/zinc/96/29/11/519962911.db2.gz GYDNLUFMTRLRRN-UHFFFAOYSA-N 1 2 368.403 2.934 20 30 FFEDLO CSC1CC[NH+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000602924440 519974055 /nfs/dbraw/zinc/97/40/55/519974055.db2.gz WBQFZJLAHSOKGQ-UHFFFAOYSA-N 1 2 355.467 2.510 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1ccc(Br)cc1F ZINC000602926024 519975773 /nfs/dbraw/zinc/97/57/73/519975773.db2.gz NHCNRKGTIRYLAX-LLVKDONJSA-N 1 2 356.239 2.781 20 30 FFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1ccc(Br)cc1F ZINC000602926024 519975777 /nfs/dbraw/zinc/97/57/77/519975777.db2.gz NHCNRKGTIRYLAX-LLVKDONJSA-N 1 2 356.239 2.781 20 30 FFEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(CCO)(CCO)CC1 ZINC000602966191 519996109 /nfs/dbraw/zinc/99/61/09/519996109.db2.gz ZJYLTLWMTWTCBQ-UHFFFAOYSA-N 1 2 367.287 2.668 20 30 FFEDLO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602975744 520001281 /nfs/dbraw/zinc/00/12/81/520001281.db2.gz GRXIDXOCXQLUQS-DLBZAZTESA-N 1 2 359.470 2.676 20 30 FFEDLO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602975744 520001286 /nfs/dbraw/zinc/00/12/86/520001286.db2.gz GRXIDXOCXQLUQS-DLBZAZTESA-N 1 2 359.470 2.676 20 30 FFEDLO C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)[C@H]1CCC[C@H]1C#N ZINC000602976362 520003548 /nfs/dbraw/zinc/00/35/48/520003548.db2.gz OMRWAYMWCCNMJV-OKZBNKHCSA-N 1 2 369.465 2.745 20 30 FFEDLO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)[C@H]1CCC[C@H]1C#N ZINC000602976362 520003553 /nfs/dbraw/zinc/00/35/53/520003553.db2.gz OMRWAYMWCCNMJV-OKZBNKHCSA-N 1 2 369.465 2.745 20 30 FFEDLO N#CC[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000594659928 520070709 /nfs/dbraw/zinc/07/07/09/520070709.db2.gz KBMZVTYRLNHNGZ-DOMZBBRYSA-N 1 2 365.355 2.963 20 30 FFEDLO N#CC[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000594659928 520070716 /nfs/dbraw/zinc/07/07/16/520070716.db2.gz KBMZVTYRLNHNGZ-DOMZBBRYSA-N 1 2 365.355 2.963 20 30 FFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000597621057 520140202 /nfs/dbraw/zinc/14/02/02/520140202.db2.gz MZVQXMDPADDQOD-VXGBXAGGSA-N 1 2 350.300 2.933 20 30 FFEDLO N#Cc1cccc(F)c1CC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000597642040 520152492 /nfs/dbraw/zinc/15/24/92/520152492.db2.gz SOQIJEFKAAGUHN-UHFFFAOYSA-N 1 2 372.469 2.861 20 30 FFEDLO N#Cc1cnccc1CN1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000592058626 520160249 /nfs/dbraw/zinc/16/02/49/520160249.db2.gz IYHKBINMEKGQMJ-UHFFFAOYSA-N 1 2 356.857 2.803 20 30 FFEDLO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccncc2C#N)cc1 ZINC000592073728 520167804 /nfs/dbraw/zinc/16/78/04/520167804.db2.gz JQRDTSNADCOBII-OAHLLOKOSA-N 1 2 372.494 2.835 20 30 FFEDLO N#Cc1cnccc1C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000592113805 520192040 /nfs/dbraw/zinc/19/20/40/520192040.db2.gz SJCRBNNYXSCLLT-UHFFFAOYSA-N 1 2 368.388 2.536 20 30 FFEDLO N#Cc1cnccc1C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000592113805 520192047 /nfs/dbraw/zinc/19/20/47/520192047.db2.gz SJCRBNNYXSCLLT-UHFFFAOYSA-N 1 2 368.388 2.536 20 30 FFEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CC[C@@H]2CCc3ccccc32)c1=O ZINC000594897724 520209125 /nfs/dbraw/zinc/20/91/25/520209125.db2.gz XZIVTBWHDKXKJJ-IBGZPJMESA-N 1 2 363.461 2.672 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149553 520225932 /nfs/dbraw/zinc/22/59/32/520225932.db2.gz QXSAUCSXOBPXDJ-JTSKRJEESA-N 1 2 363.461 2.955 20 30 FFEDLO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149553 520225936 /nfs/dbraw/zinc/22/59/36/520225936.db2.gz QXSAUCSXOBPXDJ-JTSKRJEESA-N 1 2 363.461 2.955 20 30 FFEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000592153539 520229400 /nfs/dbraw/zinc/22/94/00/520229400.db2.gz NLRCKGSCQDUYHA-JOCHJYFZSA-N 1 2 361.445 2.800 20 30 FFEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000592153539 520229408 /nfs/dbraw/zinc/22/94/08/520229408.db2.gz NLRCKGSCQDUYHA-JOCHJYFZSA-N 1 2 361.445 2.800 20 30 FFEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000592156670 520232572 /nfs/dbraw/zinc/23/25/72/520232572.db2.gz PQMZPPHSSQYHFS-JJXUHFIVSA-N 1 2 370.424 2.899 20 30 FFEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000592156670 520232580 /nfs/dbraw/zinc/23/25/80/520232580.db2.gz PQMZPPHSSQYHFS-JJXUHFIVSA-N 1 2 370.424 2.899 20 30 FFEDLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(C#N)n3)CC2)s1 ZINC000592268525 520300889 /nfs/dbraw/zinc/30/08/89/520300889.db2.gz FFIJGZQFHJCEIL-UHFFFAOYSA-N 1 2 355.467 2.927 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000597992826 520366550 /nfs/dbraw/zinc/36/65/50/520366550.db2.gz DBGRQSDBRRZJQS-STQMWFEESA-N 1 2 357.479 2.920 20 30 FFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000597992826 520366557 /nfs/dbraw/zinc/36/65/57/520366557.db2.gz DBGRQSDBRRZJQS-STQMWFEESA-N 1 2 357.479 2.920 20 30 FFEDLO Cc1cc(C#N)cnc1C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000600677548 520392476 /nfs/dbraw/zinc/39/24/76/520392476.db2.gz GSLNPUKZXHUCSQ-UHFFFAOYSA-N 1 2 359.433 2.701 20 30 FFEDLO C[NH+](C)[C@@H](CNC(=O)COc1ccccc1C#N)c1c(F)cccc1F ZINC000609664055 520398858 /nfs/dbraw/zinc/39/88/58/520398858.db2.gz VRTVZMRJUDALSV-INIZCTEOSA-N 1 2 359.376 2.634 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1nsc2ccccc21 ZINC000595338944 520414881 /nfs/dbraw/zinc/41/48/81/520414881.db2.gz MNQPCOYXJMNSGO-CYBMUJFWSA-N 1 2 350.451 2.669 20 30 FFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1nsc2ccccc21 ZINC000595338944 520414884 /nfs/dbraw/zinc/41/48/84/520414884.db2.gz MNQPCOYXJMNSGO-CYBMUJFWSA-N 1 2 350.451 2.669 20 30 FFEDLO C=CC[N@@H+](CC(=O)NC1(C(=O)OC)CCCCC1)Cc1ccccc1F ZINC000604125530 520457979 /nfs/dbraw/zinc/45/79/79/520457979.db2.gz XQTFOYRFJPLBNM-UHFFFAOYSA-N 1 2 362.445 2.806 20 30 FFEDLO C=CC[N@H+](CC(=O)NC1(C(=O)OC)CCCCC1)Cc1ccccc1F ZINC000604125530 520457986 /nfs/dbraw/zinc/45/79/86/520457986.db2.gz XQTFOYRFJPLBNM-UHFFFAOYSA-N 1 2 362.445 2.806 20 30 FFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2OC)CC1 ZINC000604390077 520545853 /nfs/dbraw/zinc/54/58/53/520545853.db2.gz REYVAMWCVSFJNI-MRXNPFEDSA-N 1 2 363.477 2.769 20 30 FFEDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)n(-c2ccc(F)cc2)n1 ZINC000595616472 520596608 /nfs/dbraw/zinc/59/66/08/520596608.db2.gz QVBFNEWHSZNCLL-OAHLLOKOSA-N 1 2 355.417 2.884 20 30 FFEDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)n(-c2ccc(F)cc2)n1 ZINC000595616472 520596613 /nfs/dbraw/zinc/59/66/13/520596613.db2.gz QVBFNEWHSZNCLL-OAHLLOKOSA-N 1 2 355.417 2.884 20 30 FFEDLO C[C@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1[nH+]ccn1C ZINC000598466362 520630285 /nfs/dbraw/zinc/63/02/85/520630285.db2.gz ZMNOQFOODMZNBV-ZDUSSCGKSA-N 1 2 355.417 2.525 20 30 FFEDLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)CC2(C#N)CCCCC2)C1 ZINC000598507553 520665386 /nfs/dbraw/zinc/66/53/86/520665386.db2.gz VCONJEKDIVLBMH-HXUWFJFHSA-N 1 2 368.525 2.783 20 30 FFEDLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)CC2(C#N)CCCCC2)C1 ZINC000598507553 520665393 /nfs/dbraw/zinc/66/53/93/520665393.db2.gz VCONJEKDIVLBMH-HXUWFJFHSA-N 1 2 368.525 2.783 20 30 FFEDLO Cn1cc(C[N@@H+]2CCn3c(CC4CC4)nnc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000593053586 520711367 /nfs/dbraw/zinc/71/13/67/520711367.db2.gz HQUQZPAZZAHGPH-UHFFFAOYSA-N 1 2 373.464 2.519 20 30 FFEDLO Cn1cc(C[N@H+]2CCn3c(CC4CC4)nnc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000593053586 520711374 /nfs/dbraw/zinc/71/13/74/520711374.db2.gz HQUQZPAZZAHGPH-UHFFFAOYSA-N 1 2 373.464 2.519 20 30 FFEDLO CC(C)O[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000593056171 520713732 /nfs/dbraw/zinc/71/37/32/520713732.db2.gz ZYZCANIIYPAYGC-SFHVURJKSA-N 1 2 367.453 2.572 20 30 FFEDLO CC(C)O[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000593056171 520713741 /nfs/dbraw/zinc/71/37/41/520713741.db2.gz ZYZCANIIYPAYGC-SFHVURJKSA-N 1 2 367.453 2.572 20 30 FFEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC([C@@H]3CCCCO3)CC2)cc1 ZINC000595790538 520727363 /nfs/dbraw/zinc/72/73/63/520727363.db2.gz XBEVEQLEZRIBQC-IBGZPJMESA-N 1 2 362.495 2.613 20 30 FFEDLO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000610566020 520743337 /nfs/dbraw/zinc/74/33/37/520743337.db2.gz ASWAQBHMDBABPV-OXJNMPFZSA-N 1 2 372.488 2.845 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000610580919 520748204 /nfs/dbraw/zinc/74/82/04/520748204.db2.gz BEMQPADNXOMECR-HKUYNNGSSA-N 1 2 350.422 2.750 20 30 FFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000610580919 520748208 /nfs/dbraw/zinc/74/82/08/520748208.db2.gz BEMQPADNXOMECR-HKUYNNGSSA-N 1 2 350.422 2.750 20 30 FFEDLO CC[C@H](Cc1ccccc1Br)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593154483 520785478 /nfs/dbraw/zinc/78/54/78/520785478.db2.gz WLDJDANCQMEOFI-CXAGYDPISA-N 1 2 366.303 2.978 20 30 FFEDLO C[C@]1(C(F)F)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1 ZINC000595915850 520820977 /nfs/dbraw/zinc/82/09/77/520820977.db2.gz LLKKBPXNKQVVMG-QGZVFWFLSA-N 1 2 369.437 2.793 20 30 FFEDLO C[C@]1(C(F)F)C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1 ZINC000595915850 520820984 /nfs/dbraw/zinc/82/09/84/520820984.db2.gz LLKKBPXNKQVVMG-QGZVFWFLSA-N 1 2 369.437 2.793 20 30 FFEDLO C=CCN(C(=O)c1ccc2[nH+]ccn2c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000595986758 520846442 /nfs/dbraw/zinc/84/64/42/520846442.db2.gz OCICUTZUQFFYLA-OAHLLOKOSA-N 1 2 373.420 2.699 20 30 FFEDLO CC(C)c1cccc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)c1 ZINC000596021127 520863778 /nfs/dbraw/zinc/86/37/78/520863778.db2.gz NXXWCCRGKZKIQY-UHFFFAOYSA-N 1 2 351.450 2.724 20 30 FFEDLO CSc1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1C ZINC000593297465 520892335 /nfs/dbraw/zinc/89/23/35/520892335.db2.gz JSSRNJHYYHWGGS-UHFFFAOYSA-N 1 2 362.499 2.797 20 30 FFEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N2CCC[C@H](CC#N)C2)cc1 ZINC000596101950 520913001 /nfs/dbraw/zinc/91/30/01/520913001.db2.gz OHWROGHGZHNFHH-QUCCMNQESA-N 1 2 370.497 2.704 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1cccc(F)c1 ZINC000596106959 520916205 /nfs/dbraw/zinc/91/62/05/520916205.db2.gz BJHYVPMUOXODEM-WMLDXEAASA-N 1 2 355.417 2.984 20 30 FFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000598918912 520918659 /nfs/dbraw/zinc/91/86/59/520918659.db2.gz HFSOICYHZPZQBG-WBTXTPOCSA-N 1 2 372.513 2.717 20 30 FFEDLO N#Cc1ccccc1OCc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)o1 ZINC000598945875 520936249 /nfs/dbraw/zinc/93/62/49/520936249.db2.gz DBZVTBJYIRIKSA-HNNXBMFYSA-N 1 2 362.389 2.672 20 30 FFEDLO Cc1cc(NCCNC(=O)N[C@@H](C)c2ccc(C#N)cc2)nc(C(C)C)[nH+]1 ZINC000598979389 520956626 /nfs/dbraw/zinc/95/66/26/520956626.db2.gz YOQQJPODIGEWRD-HNNXBMFYSA-N 1 2 366.469 2.674 20 30 FFEDLO Cc1cc(N2CCO[C@@H](C(C)C)C2)c(C#N)c(N2CCO[C@@H](C(C)C)C2)[nH+]1 ZINC000596187543 520959291 /nfs/dbraw/zinc/95/92/91/520959291.db2.gz QAJDROGZRASYPX-WOJBJXKFSA-N 1 2 372.513 2.984 20 30 FFEDLO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCCc4scnc43)C2=O)cc1 ZINC000599043841 520996471 /nfs/dbraw/zinc/99/64/71/520996471.db2.gz MVSCTYJPLIULPM-HOTGVXAUSA-N 1 2 352.463 2.783 20 30 FFEDLO C=CCSc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000614665493 521081675 /nfs/dbraw/zinc/08/16/75/521081675.db2.gz OHFWRIXMYUNHKO-HNNXBMFYSA-N 1 2 372.494 2.990 20 30 FFEDLO C=CCSc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614665493 521081680 /nfs/dbraw/zinc/08/16/80/521081680.db2.gz OHFWRIXMYUNHKO-HNNXBMFYSA-N 1 2 372.494 2.990 20 30 FFEDLO CN(C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602074275 521127213 /nfs/dbraw/zinc/12/72/13/521127213.db2.gz HWUWSVQXPGXEAP-RDTXWAMCSA-N 1 2 364.405 2.963 20 30 FFEDLO COCc1csc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000596659345 521196610 /nfs/dbraw/zinc/19/66/10/521196610.db2.gz WMSKHZGLPZEEAY-UHFFFAOYSA-N 1 2 355.463 2.724 20 30 FFEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cc4ccccc4n3CC#N)n2)C1 ZINC000611530112 521205424 /nfs/dbraw/zinc/20/54/24/521205424.db2.gz JLFIPCOGEZSDEB-QGZVFWFLSA-N 1 2 351.410 2.997 20 30 FFEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cc4ccccc4n3CC#N)n2)C1 ZINC000611530112 521205433 /nfs/dbraw/zinc/20/54/33/521205433.db2.gz JLFIPCOGEZSDEB-QGZVFWFLSA-N 1 2 351.410 2.997 20 30 FFEDLO N#CC1(CNC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CCCC1 ZINC000593782100 521209706 /nfs/dbraw/zinc/20/97/06/521209706.db2.gz GAPWRLKEGXUQED-UHFFFAOYSA-N 1 2 365.437 2.726 20 30 FFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000599424236 521213193 /nfs/dbraw/zinc/21/31/93/521213193.db2.gz VDQDOVFXQOKUNC-CYBMUJFWSA-N 1 2 355.467 2.801 20 30 FFEDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000611554223 521217261 /nfs/dbraw/zinc/21/72/61/521217261.db2.gz IDXINZBKKMSYJV-JSGCOSHPSA-N 1 2 360.401 2.995 20 30 FFEDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000611554223 521217262 /nfs/dbraw/zinc/21/72/62/521217262.db2.gz IDXINZBKKMSYJV-JSGCOSHPSA-N 1 2 360.401 2.995 20 30 FFEDLO C=CCOCC(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000607063859 521248898 /nfs/dbraw/zinc/24/88/98/521248898.db2.gz LQHDAKCXELMREM-UHFFFAOYSA-N 1 2 360.502 2.928 20 30 FFEDLO COC(=O)[C@@]1([NH2+]CCC(=O)Nc2ccccc2C#N)CCCC(C)(C)C1 ZINC000599557942 521297499 /nfs/dbraw/zinc/29/74/99/521297499.db2.gz HWYRNSYYVQIWEB-HXUWFJFHSA-N 1 2 357.454 2.988 20 30 FFEDLO C[C@@H]1CN(c2ccc(CNC(=O)CC3(C#N)CCCCC3)c[nH+]2)CCO1 ZINC000596813349 521304508 /nfs/dbraw/zinc/30/45/08/521304508.db2.gz LIGDUAKHHAUPIR-MRXNPFEDSA-N 1 2 356.470 2.787 20 30 FFEDLO N#CC1(NC(=O)C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CCC1 ZINC000615224046 521322108 /nfs/dbraw/zinc/32/21/08/521322108.db2.gz ZXCZEGATEYNBAP-NXEZZACHSA-N 1 2 357.298 2.612 20 30 FFEDLO COCCc1ncc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)s1 ZINC000602422991 521335252 /nfs/dbraw/zinc/33/52/52/521335252.db2.gz AYNXRSGBSWXDLQ-SFHVURJKSA-N 1 2 356.495 2.714 20 30 FFEDLO COc1ccccc1C[NH+]1CCN(C(=O)NCC2(C#N)CCCCC2)CC1 ZINC000596865404 521341694 /nfs/dbraw/zinc/34/16/94/521341694.db2.gz CTXXWNZHBFJHCY-UHFFFAOYSA-N 1 2 370.497 2.996 20 30 FFEDLO N#Cc1ccc(NC(=O)CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000599658886 521370631 /nfs/dbraw/zinc/37/06/31/521370631.db2.gz FXFOJJQPOBOFIY-UHFFFAOYSA-N 1 2 373.460 2.796 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678731 521393675 /nfs/dbraw/zinc/39/36/75/521393675.db2.gz LXKLBCKVTYXVMH-UTKZUKDTSA-N 1 2 369.509 2.822 20 30 FFEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678731 521393685 /nfs/dbraw/zinc/39/36/85/521393685.db2.gz LXKLBCKVTYXVMH-UTKZUKDTSA-N 1 2 369.509 2.822 20 30 FFEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000619140862 521415194 /nfs/dbraw/zinc/41/51/94/521415194.db2.gz YPLDRYHRSJPPAI-NSHDSACASA-N 1 2 356.253 2.658 20 30 FFEDLO CN1CCO[C@H]([C@@H]([NH2+]Cc2cccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000602579241 521420517 /nfs/dbraw/zinc/42/05/17/521420517.db2.gz IJLQRBGPNGAVCJ-OALUTQOASA-N 1 2 356.857 2.768 20 30 FFEDLO C[N@@H+]1CCO[C@H]([C@@H](NCc2cccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000602579241 521420520 /nfs/dbraw/zinc/42/05/20/521420520.db2.gz IJLQRBGPNGAVCJ-OALUTQOASA-N 1 2 356.857 2.768 20 30 FFEDLO C[N@H+]1CCO[C@H]([C@@H](NCc2cccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000602579241 521420525 /nfs/dbraw/zinc/42/05/25/521420525.db2.gz IJLQRBGPNGAVCJ-OALUTQOASA-N 1 2 356.857 2.768 20 30 FFEDLO Cc1c(Br)cncc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000596983355 521423081 /nfs/dbraw/zinc/42/30/81/521423081.db2.gz WSYSZPRRZCXFMH-UHFFFAOYSA-N 1 2 372.270 2.741 20 30 FFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@@](F)(C#N)C3)n2)C1 ZINC000615522008 521428938 /nfs/dbraw/zinc/42/89/38/521428938.db2.gz PQNLOUHZYMTYII-MLGOLLRUSA-N 1 2 351.451 2.844 20 30 FFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@@](F)(C#N)C3)n2)C1 ZINC000615522008 521428945 /nfs/dbraw/zinc/42/89/45/521428945.db2.gz PQNLOUHZYMTYII-MLGOLLRUSA-N 1 2 351.451 2.844 20 30 FFEDLO N#C[C@]1(F)CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000615538349 521435617 /nfs/dbraw/zinc/43/56/17/521435617.db2.gz BCLJOGRNSUWZFQ-SCLBCKFNSA-N 1 2 366.387 2.576 20 30 FFEDLO N#C[C@]1(F)CCN(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000615538349 521435623 /nfs/dbraw/zinc/43/56/23/521435623.db2.gz BCLJOGRNSUWZFQ-SCLBCKFNSA-N 1 2 366.387 2.576 20 30 FFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@](F)(C#N)C1)c1ccc(Cl)cc1 ZINC000615577883 521454615 /nfs/dbraw/zinc/45/46/15/521454615.db2.gz PTQAFSIIFDUCIS-PBHICJAKSA-N 1 2 361.808 2.810 20 30 FFEDLO COc1cc(C[NH2+]Cc2c(C(=O)OC(C)(C)C)cnn2C)ccc1C#N ZINC000602665328 521468501 /nfs/dbraw/zinc/46/85/01/521468501.db2.gz AKMJXPVYQBHDAM-UHFFFAOYSA-N 1 2 356.426 2.545 20 30 FFEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000599785078 521471746 /nfs/dbraw/zinc/47/17/46/521471746.db2.gz XFKAUXQRUQFGIB-QGZVFWFLSA-N 1 2 366.421 2.803 20 30 FFEDLO C[N@H+]1CCOC[C@H]1CNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000599785078 521471755 /nfs/dbraw/zinc/47/17/55/521471755.db2.gz XFKAUXQRUQFGIB-QGZVFWFLSA-N 1 2 366.421 2.803 20 30 FFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597112587 521514674 /nfs/dbraw/zinc/51/46/74/521514674.db2.gz FDQVTQWUQTXRHM-UHFFFAOYSA-N 1 2 358.270 2.867 20 30 FFEDLO Cc1c[nH+]c2cc(C(=O)N(CCC#N)c3ccc4c(c3)OCCO4)ccn12 ZINC000594273446 521524635 /nfs/dbraw/zinc/52/46/35/521524635.db2.gz OBSHATCFEZGCPX-UHFFFAOYSA-N 1 2 362.389 2.974 20 30 FFEDLO COC(=O)c1coc([C@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000602773645 521525109 /nfs/dbraw/zinc/52/51/09/521525109.db2.gz WGCKXYBLQTYWDC-ZDUSSCGKSA-N 1 2 355.394 2.937 20 30 FFEDLO Cc1noc(C)c1C[NH+]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000619694455 521826738 /nfs/dbraw/zinc/82/67/38/521826738.db2.gz HRHCYWFCZQSPCL-UHFFFAOYSA-N 1 2 365.359 2.899 20 30 FFEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1Cl ZINC000619767896 521860770 /nfs/dbraw/zinc/86/07/70/521860770.db2.gz FJJQKMLRBXJOKN-UHFFFAOYSA-N 1 2 358.829 2.832 20 30 FFEDLO N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(N)[nH+]c3)cn2)cc1 ZINC000619792143 521874008 /nfs/dbraw/zinc/87/40/08/521874008.db2.gz LZWLJMYYSOCSEY-UHFFFAOYSA-N 1 2 360.377 2.875 20 30 FFEDLO C=CC[C@H]1CCN(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000626253396 522050969 /nfs/dbraw/zinc/05/09/69/522050969.db2.gz CTVHLQURBSIRHB-INIZCTEOSA-N 1 2 356.470 2.504 20 30 FFEDLO C=CC[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000629436093 522218683 /nfs/dbraw/zinc/21/86/83/522218683.db2.gz QYFCTQPCWHMDHY-LEWJYISDSA-N 1 2 365.477 2.759 20 30 FFEDLO C=CC[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000629436093 522218686 /nfs/dbraw/zinc/21/86/86/522218686.db2.gz QYFCTQPCWHMDHY-LEWJYISDSA-N 1 2 365.477 2.759 20 30 FFEDLO C=CC[C@H]1CCN(C(=O)Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)C1 ZINC000626523594 522250876 /nfs/dbraw/zinc/25/08/76/522250876.db2.gz HEYVRPYCRPPZKD-SFHVURJKSA-N 1 2 370.497 2.781 20 30 FFEDLO C=CCOc1ccc(CC(=O)N2CCc3[nH]c[nH+]c3C23CCOCC3)cc1 ZINC000633528577 522812258 /nfs/dbraw/zinc/81/22/58/522812258.db2.gz ZFFFLNFMPZKZMZ-UHFFFAOYSA-N 1 2 367.449 2.608 20 30 FFEDLO C=CCc1cc(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)cc(OC)c1O ZINC000621735637 523050166 /nfs/dbraw/zinc/05/01/66/523050166.db2.gz NRYITZNXEXAKRQ-SFHVURJKSA-N 1 2 373.474 2.889 20 30 FFEDLO C=CC[C@H]1CC[N@@H+](CC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)C1 ZINC000625702229 523632044 /nfs/dbraw/zinc/63/20/44/523632044.db2.gz FUXNIWCNQQAIFA-DLBZAZTESA-N 1 2 364.511 2.545 20 30 FFEDLO C=CC[C@H]1CC[N@H+](CC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)C1 ZINC000625702229 523632052 /nfs/dbraw/zinc/63/20/52/523632052.db2.gz FUXNIWCNQQAIFA-DLBZAZTESA-N 1 2 364.511 2.545 20 30 FFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2sc(C(C)(C)C)nc2C)c1C#N ZINC000534062105 562524449 /nfs/dbraw/zinc/52/44/49/562524449.db2.gz KYPQIPXJLBTOLC-UHFFFAOYSA-N 1 2 360.487 2.748 20 30 FFEDLO CNC(=O)[C@@]1(C)CCN(C(=O)c2c3ccccc3nc3c2C[N@H+](C)CC3)C1 ZINC000330362431 568532087 /nfs/dbraw/zinc/53/20/87/568532087.db2.gz ZNHXCAKUVUFNBQ-NRFANRHFSA-N 1 2 366.465 2.661 20 30 FFEDLO CNC(=O)[C@@]1(C)CCN(C(=O)c2c3ccccc3nc3c2C[N@@H+](C)CC3)C1 ZINC000330362431 568532088 /nfs/dbraw/zinc/53/20/88/568532088.db2.gz ZNHXCAKUVUFNBQ-NRFANRHFSA-N 1 2 366.465 2.661 20 30 FFEDLO C=C(Br)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735397648 598780299 /nfs/dbraw/zinc/78/02/99/598780299.db2.gz AZIIZTOWODFMBK-UHFFFAOYSA-N 1 2 364.247 2.619 20 30 FFEDLO N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3CNC(=O)[O-])CC2)cc1 ZINC000833971274 606007873 /nfs/dbraw/zinc/00/78/73/606007873.db2.gz CPTZIRCCLUZYLX-PKOBYXMFSA-N 1 2 356.470 2.549 20 30 FFEDLO C=CC[N@H+](Cc1cccs1)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000823919726 608503216 /nfs/dbraw/zinc/50/32/16/608503216.db2.gz ONJCLSZHUUPWJS-UHFFFAOYSA-N 1 2 351.439 2.764 20 30 FFEDLO C=CC[N@@H+](Cc1cccs1)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000823919726 608503218 /nfs/dbraw/zinc/50/32/18/608503218.db2.gz ONJCLSZHUUPWJS-UHFFFAOYSA-N 1 2 351.439 2.764 20 30 FFEDLO